smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features COc1ccc(/C=N/Nc2nc(SCC(=O)NC(C)(C)C)n[nH]2)cc1OCn1cccn1 20424396 BVMFSCLTWQERES-SRZZPIQSSA-N 458.548 2.499 30 10 JEEE Cc1nn(CCO)c(C)c1/C=N/Nc1nc(SCC(=O)Nc2cc(F)ccc2F)n[nH]1 59887840 GICZRXHLEKVBKL-ODCIPOBUSA-N 450.475 2.065 30 10 JEEE C=CCN(CC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1)Cc1cccc([N+](=O)[O-])c1 553609773 YBMTVZCRBAHAII-UHFFFAOYSA-N 452.511 2.372 30 10 JEEE CCOc1ccccc1NC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CC 729670471 SUSYPJPTXZAKHQ-UHFFFAOYSA-N 459.531 2.118 30 10 JEEE CCC(CC)C(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1cnn(CC)c1 729672332 IPNSXJVLAOTEAD-UHFFFAOYSA-N 460.563 2.271 30 10 JEEE CCOC(=O)c1n[nH]c(C2CCN(S(=O)(=O)c3ccc(C#N)c(C(F)(F)F)c3)CC2)n1 1211701726 AJQKEPZBMZMXGY-UHFFFAOYSA-N 457.434 2.440 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2CC(C)(C)O)c1 1286308798 LWHFZUDQLJFKOE-XMMPIXPASA-N 455.559 2.146 30 10 JEEE C#CCN(c1nnc(CCN2CCN(c3ccccc3)CC2)n1C/C=C/CC)[C@H]1CCS(=O)(=O)C1 1286394870 XJHABBYIMLIFBA-LUAJHVPRSA-N 496.681 2.236 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCN1CCN(CC)CC1 1286414902 FLINHVCPHHCEPU-SZPZYZBQSA-N 483.661 2.149 30 10 JEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CC(=O)N(C)C1CCCCC1 1286415097 IEGBBPRCIYKEIZ-UHFFFAOYSA-N 452.584 2.134 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CC[C@@H](C)N2CCCCC2)CC1 1286493025 SJAOQCDCOJMERQ-OAQYLSRUSA-N 480.661 2.370 30 10 JEEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 1286507141 VIINLMJRQYVKHL-NRFANRHFSA-N 453.612 2.430 30 10 JEEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1286510853 CFAWRFRYXPGJNF-XMMPIXPASA-N 466.611 2.396 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1c(F)cc(F)c(F)c1F 1286517974 XGKHMDNAMGXVRD-JEOXALJRSA-N 459.469 2.485 30 10 JEEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1286602073 XCDGJATZGKMLIG-MRXNPFEDSA-N 463.571 2.222 30 10 JEEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1286665709 CIOMHPLXFUBIKW-UHFFFAOYSA-N 465.606 2.357 30 10 JEEE C=CCn1c(Cc2ccc(F)cc2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1286775928 PKEKIAPMSRKLGM-UHFFFAOYSA-N 454.550 2.134 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1286815798 FCNWTTNYHLFCAN-UHFFFAOYSA-N 479.500 2.470 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@H](NC(=O)CC)C1 1286817201 QXHHAANCXZBHNH-SFHVURJKSA-N 461.588 2.050 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1300282910 KEWWJQZJGWUPKF-IHPCNDPISA-N 499.616 2.153 30 10 JEEE C#CCCCCn1c(COc2cccc(C)c2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1300372802 VLDLTMNKHRWLQA-UHFFFAOYSA-N 450.543 2.490 30 10 JEEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC[C@H](C(F)F)N1CCOCC1 1300455674 OHNYFVKCMPBKEH-HXUWFJFHSA-N 499.566 2.490 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@]1(O)CCN(C)C1 1300569985 WCSWINKEHBYXRS-VWLOTQADSA-N 451.571 2.270 30 10 JEEE C#CCN(CC)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1300637570 GALJUXVFSBOZHZ-IRLDBZIGSA-N 482.610 2.392 30 10 JEEE C#CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1300741049 KWKATSWEFFFVBA-LJQANCHMSA-N 463.405 2.129 30 10 JEEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1300766411 BUKRBAWZJGZPEB-UHFFFAOYSA-N 462.579 2.298 30 10 JEEE C=C(Cl)Cn1c(-c2noc3c2COCC3)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1301037436 VAUWMIYIZOHXFQ-CABCVRRESA-N 464.954 2.126 30 10 JEEE C=CCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1301137979 ZZICWVNTWOLNAW-UHFFFAOYSA-N 454.641 2.269 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 1301506711 PNSOOQTXQQDURF-UHFFFAOYSA-N 465.533 2.040 30 10 JEEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](C(F)(F)F)C1 1301510564 YTFHVMVUSGHIMG-CYBMUJFWSA-N 456.494 2.351 30 10 JEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](c2nc(C)c(C)s2)C1 1301586371 KZXBIPIASUHNPR-SFHVURJKSA-N 492.671 2.459 30 10 JEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1301613016 STRTWJSYGQPIQI-HOTGVXAUSA-N 471.649 2.203 30 10 JEEE CCOC1CC(O)(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(CC(=O)N(C)C)CC2)C1 1314262768 AUYZRSAXWBBKHF-UHFFFAOYSA-N 496.612 2.353 30 10 JEEE CO[C@@]1(C)CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1315241323 BBQGYDAOUJKRFW-AVRDEDQJSA-N 458.588 2.104 30 10 JEEE C=CCc1cc(CNC(=O)c2ccc3c(c2)CCN3C(=O)CNC(C)=O)cc(OC)c1OC 1357246902 OLXKPYFBUHDOLY-UHFFFAOYSA-N 451.523 2.388 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCCN1CCOCC1 1358987164 VCABWRIDNDFFLO-UHFFFAOYSA-N 497.669 2.122 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(C)C)n1C[C@H]1CCCCS1(=O)=O 1359014926 BWUUWPZKTLVRCP-LJQANCHMSA-N 461.563 2.163 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCSCCCO)CC1 1359039653 QFWOEXVHXOURFF-IBGZPJMESA-N 478.663 2.221 30 10 JEEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1cccc(F)c1 1359058257 XHVFMEGXEUWVDP-WOJBJXKFSA-N 493.630 2.458 30 10 JEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 1359060257 PEGDVPNDFBJERH-UHFFFAOYSA-N 462.620 2.260 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@]1(C)CN(C)C1=O 1359066103 NRFIECDMHPSPFZ-BJKOFHAPSA-N 453.543 2.441 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1359074873 UXSPGHJLOLIUHL-AJFLCOCNSA-N 492.624 2.452 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 1359133018 KFIFMVPOGKWILK-TZIWHRDSSA-N 493.674 2.248 30 10 JEEE C=C(Cl)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1359148935 IORIXTYIHQYPCI-AWEZNQCLSA-N 457.922 2.221 30 10 JEEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2nccc(C(F)(F)F)n2)CC1 1359165016 FGCXMKUSRSXWBJ-AWEZNQCLSA-N 456.494 2.388 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](Nc2cc(OC)cc(OC)c2)C1 1359301183 UNFSOTXCGPOLBD-QZTJIDSGSA-N 470.574 2.182 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1359309905 HCGPXSCFMIKTJE-UYAOXDASSA-N 452.559 2.147 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCC(Cn2cccn2)CC1 1359333790 KABRFCYCUDLRAN-UHFFFAOYSA-N 475.644 2.348 30 10 JEEE N#Cc1cn(CCC(=O)N2CCC[C@@H](c3nc(-c4ccc(Cl)cc4)no3)C2)c(=O)nc1O 1442805698 AJQPSONBSRFTGM-CQSZACIVSA-N 454.874 2.320 30 10 JEEE C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)cc1 1466172365 BJDCSTDHQIGKIH-INIZCTEOSA-N 456.524 2.166 30 10 JEEE C#CCN1CCC[C@@H](NC(=O)C2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)C1 1471833009 NMFYNBVKKHFCBY-GOSISDBHSA-N 457.518 2.320 30 10 JEEE Cc1cccc([C@H](CNC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)N2CCOCC2)c1 1477283362 BTLBVXVSDRIESA-NJYVYQBISA-N 457.575 2.427 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2ccc(OC)cc2)CCC1 1507538285 LGDYAFSOUKWLQL-GHTZIAJQSA-N 487.626 2.199 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1Cc1cc(C)no1)[C@H]1CCS(=O)(=O)C1 1507623345 RFEGQLNKHRFLFP-IBGZPJMESA-N 482.566 2.119 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCNC(=O)c1cccs1 1507681356 WSLJRAZSTYDFEC-UHFFFAOYSA-N 486.623 2.146 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCO[C@H]1c1ccccc1 1507688718 DBMXTXPPGRQSLO-FKBYEOEOSA-N 487.626 2.238 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCN2CCCCC2)CC1 1507715762 HXXBZTTWOTVRSL-UHFFFAOYSA-N 470.021 2.103 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](CC)c3ccccc3)n2C[C@H]2COCCO2)CC1 1507735666 DQVSEBZFJVMNJH-VXKWHMMOSA-N 451.571 2.201 30 10 JEEE C#CCSCCn1c(-c2ccc3ccccc3n2)nnc1N1CCN(C(=O)COC)CC1 1507748211 NQDHDAKNXJZTGM-UHFFFAOYSA-N 450.568 2.155 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H](C(=O)OC)C1 1507803690 CLYYKCUYMOHFFA-MDZRGWNJSA-N 459.572 2.250 30 10 JEEE C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1507822942 QNUVBTANAUOUQP-HNNXBMFYSA-N 462.352 2.095 30 10 JEEE C=CCN(CC=C)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1508014138 SLWNNFNITPSQMV-SFHVURJKSA-N 451.579 2.193 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1508079530 YFSBBGLSAUDVON-HKUYNNGSSA-N 471.514 2.159 30 10 JEEE C[C@@](O)(Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](C(N)=O)C1)c1ccsc1 1510240010 HGDPAKKIBMBSLY-GAJHUEQPSA-N 466.567 2.400 30 10 JEEE C#CCN(C(=O)CSCC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O)c1nccs1 1514717207 BJZWDLGCNBPPRX-UHFFFAOYSA-N 455.565 2.279 30 10 JEEE CCOC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(CS(C)(=O)=O)CC2)C1 1516056686 FJDVAEJHBOCNSM-IBGZPJMESA-N 486.598 2.356 30 10 JEEE CCOC1CC(O)(Cn2c(-c3ccc(Br)s3)nnc2N2CCO[C@H](C#N)C2)C1 1516391503 HYHZKWBJNWNRFW-YNAXMUEKSA-N 468.377 2.428 30 10 JEEE COc1ccc(Br)cc1Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](C#N)C1 1518075344 BEITYZVIUOMHDF-INIZCTEOSA-N 458.320 2.227 30 10 JEEE C=C(Cl)CSc1nc(C)c(CC(=O)NC2(C(=O)OC)CCS(=O)(=O)CC2)s1 1524525888 IBJRDERTHZNIRV-UHFFFAOYSA-N 453.007 2.075 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2C[C@@H]2CCO[C@H](C)C2)c1 1539046058 LUCLORYKTKFJDY-UYAOXDASSA-N 464.570 2.272 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@](C)(O)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 1539211214 JETHOCDBEDMVER-CVDCTZTESA-N 457.600 2.298 30 10 JEEE C#CCN(c1nnc(-c2cn(C)c3ccccc23)n1C[C@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1539216794 XHQIKWFWDFJLDV-ROUUACIJSA-N 454.600 2.014 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CC(C)(C)OCC)[C@@H]1CCS(=O)(=O)C1 1539230564 ODDNPPPZWRSIEI-LJQANCHMSA-N 471.583 2.171 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC(C)(C)c2ccccn2)CC1 1539429920 FCDNGWSLBZNWGW-RUZDIDTESA-N 452.603 2.447 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2CCCN2C[C@H](C)O[C@H](C)C2)CC1 1539461215 BHZDUOCVFKMUFQ-ZRZAMGCNSA-N 466.630 2.420 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2CCC(=O)NC(C)(C)C)CC1 1539483300 WBWADLHTJZUNSA-UHFFFAOYSA-N 486.567 2.418 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@@H]2CCN(CC)C2)CC1 1539484315 KTDAYMCRBDZHAK-JOCHJYFZSA-N 478.641 2.380 30 10 JEEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC2CCOCC2)CC1 1539525951 HBGWNOZXOFDQRG-UHFFFAOYSA-N 457.648 2.055 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1539645540 QYGAMMGVHQIVAY-FUDKSRODSA-N 455.607 2.426 30 10 JEEE C=C(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(C(=O)NCCCOC)CC1 1539698229 QPLUWUCEJYYIJM-UHFFFAOYSA-N 489.646 2.183 30 10 JEEE C=CC1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccccc2CN2CC[C@H](O)C2)CC1 1539867528 CGNHFOHMMWRZHZ-QFIPXVFZSA-N 452.603 2.434 30 10 JEEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1540035456 CTJWUOVNQLXDCW-RTBURBONSA-N 465.595 2.495 30 10 JEEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1540857491 BCLOALYXBGICTB-UHFFFAOYSA-N 482.651 2.439 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(C=C)CC1 1540903067 XUVGVGFEXAYWRX-UHFFFAOYSA-N 471.631 2.455 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(C2CCC(C)CC2)CC1 1540903875 JIKHFCSLROOTDN-GPJFCIFZSA-N 451.637 2.084 30 10 JEEE COc1ccc(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2CC2(S(C)(=O)=O)CCC2)cc1 1554974027 BBRKANQSHLNCLE-HXUWFJFHSA-N 463.535 2.275 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)N2C[C@@H](C(=O)OC)[C@H](c3ccc(O)cc3)C2)ccc1F 1570796769 KQEBGPMIJJJKAR-ZWKOTPCHSA-N 462.499 2.024 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCOC)c1 1587693546 UJYZULXBQACCHB-FQEVSTJZSA-N 498.584 2.289 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CCCCS1)[C@@H]1CCS(=O)(=O)C1 1588034513 HNHOHLVSPPVHFM-KNKQGSTJSA-N 482.672 2.231 30 10 JEEE C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@H]1CCc2ccccc21)[C@@H]1CCS(=O)(=O)C1 1588035274 QLAZSCKFZXCIMK-CEWLAPEOSA-N 472.611 2.359 30 10 JEEE C=C(C)C[C@H](NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Br)C(=O)OC 1588127630 XCIUNRIOGQSXJQ-INIZCTEOSA-N 459.362 2.471 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1c(F)cccc1OC(F)F 1588181340 RNHUBPQEYLZPHS-CQSZACIVSA-N 469.489 2.140 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccc3)n2C[C@@]2(C)COCCO2)n1 1588722775 FJWFHKWEBCIWMR-DEOSSOPVSA-N 450.543 2.233 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCCOCC(F)F)CC1 1588876967 PKUAVHORJBHLOQ-HDICACEKSA-N 482.576 2.476 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2C[C@@H]2CC(F)(F)CO2)CC1 1588913580 NOEQVSYKJHFZLI-KRWDZBQOSA-N 459.497 2.344 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)CCC(=O)NC 1589529879 PTPDNUPOSZEDRV-FPOVZHCZSA-N 468.606 2.006 30 10 JEEE C=C(Cl)Cn1c(-c2cc(Br)cn2C)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1593826898 RXKNPJYKDYBFDZ-UHFFFAOYSA-N 479.770 2.385 30 10 JEEE C=CC[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC2(CC1)COC(=O)N2)c1ccccc1 1594536352 XECALMSYAXTESC-MJGOQNOKSA-N 488.614 2.327 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc3ccccc3o2)nnc1N1CCC[C@@H](NC(C)=O)C1 1595766762 WVAPKWNPDYBDRJ-GOSISDBHSA-N 457.556 2.397 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCN(CC2CCOCC2)CC1 1595777493 ONPBDRNXVIIIKV-UHFFFAOYSA-N 459.616 2.095 30 10 JEEE C[C@H]1CN(CCCn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@@H](CC(N)=O)C2)C[C@@H](C)O1 1612994899 GRPGPVRKEOPOJV-VWPQPMDRSA-N 495.628 2.320 30 10 JEEE CCNC(=O)C(C)(C)Cn1c([C@H](C)CC)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1615902907 FLJRNYWUZDTMGX-MRXNPFEDSA-N 455.611 2.194 30 10 JEEE CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCN1CCCC[C@H]1CC 1616910050 AWHGLFWTFLLMRR-HXUWFJFHSA-N 469.638 2.319 30 10 JEEE COCC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1619770505 HNUTZTHPOWDEKH-SQJMNOBHSA-N 481.601 2.186 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)nc1 1619899635 DDYIJWDPZMGXIA-OAQYLSRUSA-N 496.593 2.157 30 10 JEEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](COC)C(N)=O 1632001144 SHDNOYDXLWXPFM-VXKWHMMOSA-N 451.523 2.476 30 10 JEEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H](C)CNC(=O)OC(C)(C)C 1634768340 DFVPNYJNZNGATR-GDBMZVCRSA-N 452.577 2.313 30 10 JEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C[C@H]2CCCc3ccccc32)C(=O)OC)c1 1638154828 AZVLHJXTMLPOHP-XMSQKQJNSA-N 454.548 2.380 30 10 JEEE C#CCC[C@@H](O)CNC(=O)c1ccc(OC)c(S(=O)(=O)NCc2ccc(Cl)cc2)c1 1639434646 QEEXWTZAHJUYAO-GOSISDBHSA-N 450.944 2.331 30 10 JEEE Cc1cc(NS(=O)(=O)c2cccc(C(=O)N3CC[C@@H](Oc4ccc(C#N)cn4)C3)c2)no1 1654618387 FPMJSXOQAAXTID-QGZVFWFLSA-N 453.480 2.344 30 10 JEEE C=CCOc1ccc(CNC[C@@H]2CCn3ncc(C(=O)N4CCN(C)CC4)c3C2)cc1OC 1656153332 WPNVYYOLLYXWOR-HXUWFJFHSA-N 453.587 2.196 30 10 JEEE N#Cc1ccc(-n2ccc(NC(=O)NCc3ccc(S(=O)(=O)CCO)cc3)n2)c(Cl)c1 1669625801 DHPVPOZHOQKZPM-UHFFFAOYSA-N 459.915 2.485 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1689983382 AJLVYKRZRYUXGA-ZCNNSNEGSA-N 489.642 2.361 30 10 JEEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2Cc2c(CC)nn(C)c2OC)CC1 1690125821 OKGHNTIZRQKQMJ-UHFFFAOYSA-N 469.540 2.255 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCN(CCC)CC1 1690265394 NYCIEOVHKWILFP-FQEVSTJZSA-N 468.668 2.135 30 10 JEEE C=C(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 1690278968 ZIMOMKQVPXGFFY-UHFFFAOYSA-N 478.575 2.306 30 10 JEEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)CC(=O)N(C)[C@H](C)c1ccccc1 1690327979 BYUCYHFLXUUXFE-HZPDHXFCSA-N 469.011 2.297 30 10 JEEE C=C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCOCCS(C)(=O)=O)CC1 1690367594 UTBTYWINXWVRHQ-UHFFFAOYSA-N 450.561 2.180 30 10 JEEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H](C(=O)NCCC)C1 1690672287 NUHHBICRGXRIPZ-INIZCTEOSA-N 460.529 2.192 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2cccc3[nH]ccc23)C1 1690687057 XYIUHKCIDVFDNF-SJLPKXTDSA-N 458.588 2.394 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@H]1CC1(C)C 1692793383 GUVIDBHZTSOKEM-SJLPKXTDSA-N 457.604 2.133 30 10 JEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(O)(Cc2ccccc2F)CC1 1705531955 BFSUTHJGBCMVDW-IBGZPJMESA-N 460.575 2.307 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@@H]1CCO[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1705564038 JTXHHVWURAVNKT-QRVBRYPASA-N 458.584 2.396 30 10 JEEE C#CCN(c1nnc(CC)n1C[C@H]1CCN(CCc2ccccc2)C1)[C@H]1CCS(=O)(=O)C1 1705569590 FAZPSZVIQPVZSX-VXKWHMMOSA-N 455.628 2.032 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1Cc1cccc(C(=O)NCCC)c1)[C@@H]1CCS(=O)(=O)C1 1705570264 NLBZWVLUWHFCSN-OAQYLSRUSA-N 469.611 2.045 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCn1cc(CO)nn1 1705613149 CHUKJMBCOWRNAA-GOSISDBHSA-N 472.594 2.026 30 10 JEEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCc1nccs1 1705628691 MYAWMZIRUOBDRD-UHFFFAOYSA-N 452.588 2.237 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CC(O)(CC)CC)CC1 1705645748 DBXQAZHCIPKENR-UHFFFAOYSA-N 453.543 2.191 30 10 JEEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)CCc1ccccc1[N+](=O)[O-] 1705681244 QCBFSESRKKDFNU-CYBMUJFWSA-N 487.380 2.384 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1ncnn1CC(F)F 1705693021 ANLZSVLGQKUNBT-BEFAXECRSA-N 487.515 2.400 30 10 JEEE C=C(Cl)Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1705744603 JIKFXUICLPBGPP-OXJNMPFZSA-N 480.057 2.328 30 10 JEEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 1705818679 RKMZVIJNHDFJHB-LJQANCHMSA-N 455.538 2.095 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2COc3ccccc3O2)n1CCN/C(O)=C1\N=CC=CC1=O 1705875809 GUNJMLXHVWEWHU-VLMSHNLISA-N 462.510 2.495 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1CC[C@]2(CCSC2)C1 1705927851 HRYNEJXPJJGACY-FQEVSTJZSA-N 455.650 2.131 30 10 JEEE CCN(C)C(=O)Cn1c(-c2ccccn2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1709903006 HSOQYZGLCDKTFH-UHFFFAOYSA-N 458.570 2.402 30 10 JEEE CCN(C)C(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1709903534 AKHHCSAKYDIOPU-UHFFFAOYSA-N 467.965 2.009 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC(=O)N1CCOCC1 1722295628 UZSYXJXXNDAHHU-RTBURBONSA-N 474.606 2.099 30 10 JEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2c(F)cccc2OC)CC1 1722308843 QYMCCUKPAXFKHF-KRWDZBQOSA-N 478.594 2.166 30 10 JEEE C#CCCCCn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1722316791 IZYLWXNWVPFQCL-UHFFFAOYSA-N 466.561 2.083 30 10 JEEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCC(C)CC2)nc1 1722401846 CGNFRCPNJVJABU-SFHVURJKSA-N 459.620 2.027 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CCNC(=O)c2ccc(C)cc2)CC1 1722445888 DOXIZJWSMFMRBB-UHFFFAOYSA-N 485.592 2.353 30 10 JEEE C=C(Cl)Cn1c(CC(C)C)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1722552511 QVUZQSWTAOQKFG-OAGGEKHMSA-N 474.027 2.356 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCC(=O)NC)C1 1722719233 RQMQZBGHMZVSTR-GOSISDBHSA-N 462.595 2.310 30 10 JEEE CS[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1731047057 CXMWOHNDMFOQNF-KRWDZBQOSA-N 492.609 2.301 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccccc1OC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1740621990 RNDLRINJBCKUKE-QGZVFWFLSA-N 494.499 2.252 30 10 JEEE C#CCN(c1nnc(COCC)n1C[C@@H](c1ccccc1Cl)N(C)C)[C@@H]1CCS(=O)(=O)C1 1740626781 CMIZKWLZSVXVTL-XLIONFOSSA-N 480.034 2.398 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CC(C)(C)N1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1740627081 XQKDCKSLHAKVLA-RBBKRZOGSA-N 484.670 2.401 30 10 JEEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1C[C@@H](c1cccc(OC)c1)N1CCCC1 1740641285 GJMLDLDAOMRJKJ-QHCPKHFHSA-N 460.582 2.319 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCC2CCOCC2)CC1 1740703116 GUXSJAVFROPFSO-RUZDIDTESA-N 473.618 2.101 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1740750089 LQPMRQQWAKMILR-FXAWDEMLSA-N 484.561 2.027 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)CCNS(C)(=O)=O 1740751786 OOUZDSKOJDZYOJ-AZUAARDMSA-N 490.630 2.114 30 10 JEEE C=C(C)COCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN2C(=O)OC[C@H]2C1 1740786682 LRPNSNMDYJFZOI-LJQANCHMSA-N 454.531 2.381 30 10 JEEE C=C(C)COCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC[C@@H](NC(C)=O)C1 1740792025 DXYCOWYJYBLFDB-LJQANCHMSA-N 479.585 2.373 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCCNS(C)(=O)=O)CC1 1740829699 GJEZRYXWGCAFBR-KRWDZBQOSA-N 468.624 2.446 30 10 JEEE CCn1cc([C@H]2CN(c3nnc(COc4ccc(C#N)cc4)n3CCC(=O)N(C)C)CCO2)cn1 1746343908 HKZFGNBOZAOGSM-OAQYLSRUSA-N 478.557 2.001 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1Cc1ccccc1COCC)[C@H]1CCS(=O)(=O)C1 1748811620 JDUFPWUXIBDRDP-NRFANRHFSA-N 467.595 2.495 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC[C@@H](OCC)C(C)C)[C@H]1CCS(=O)(=O)C1 1748817992 UJYCALOSPCBBCP-HSALFYBXSA-N 452.621 2.250 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(CC(C)(C)C)n2C[C@@H]2NC(=O)CC2(C)C)n1 1748971603 WOOHMOGVPORHDP-IBGZPJMESA-N 455.607 2.264 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H](C)N2CCN(CC)CC2)CC1 1748993181 QNCUVAJMDYPIKM-NRFANRHFSA-N 470.065 2.304 30 10 JEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(CN3CCOCC3)CCCCC2)CC1 1749286016 CFIVFYVAUSCQHP-HXUWFJFHSA-N 480.679 2.327 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C2CCOCC2)C1 1749368495 KPJSOMPAOVICGQ-WOJBJXKFSA-N 481.663 2.466 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](C)N1CCN(CC)CC1 1749538831 NEZBCZKVMKZKEU-RBBKRZOGSA-N 451.619 2.448 30 10 JEEE C=CCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1749620816 WNQFPVMOOXCVGR-UHFFFAOYSA-N 463.542 2.359 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCO[C@@H](COC(C)C)C1 1749656030 XXSVXCTVKQUZSB-LJQANCHMSA-N 465.558 2.268 30 10 JEEE C=CCNC(=O)Cn1c(COCC)nnc1N(C)C1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 1749680691 NZONCXFAGYNEAU-JWTNVVGKSA-N 462.595 2.484 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCC([C@H]3CCOC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1749739350 AVRPLBKRVRCBMO-NZQKXSOJSA-N 482.647 2.172 30 10 JEEE C[C@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1CCN(C)C(=O)OC(C)(C)C 1751981874 HKHGKUJNFFGVPC-INIZCTEOSA-N 453.547 2.351 30 10 JEEE C#CCN(c1nnc(C)n1CCc1ccc(OC)c(Br)c1)[C@H]1CCS(=O)(=O)C1 1760180392 DELNRWGDVIEZQK-INIZCTEOSA-N 467.389 2.227 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1CCCOCC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1760181983 GGEOTZOLEWGPQB-LJQANCHMSA-N 452.621 2.036 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1SCCc2ccccc21 1760219471 FRJCFHAQRZOTRZ-VXKWHMMOSA-N 499.662 2.105 30 10 JEEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1760223506 GMXBVPOIQWBLDL-VXKWHMMOSA-N 451.619 2.490 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCCOC(F)(F)F)CC1 1760261643 PAUKTZSXPRGIMO-GOSISDBHSA-N 451.449 2.472 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCC2(CC1)CNC(=O)C2 1760313127 JVKOBPLPDCLWFW-FXAWDEMLSA-N 458.607 2.284 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC=C(Br)C1 1760315813 JESHLVUHHZQERS-LZWOXQAQSA-N 474.425 2.358 30 10 JEEE C=CC[C@H](Cn1c(-c2cnccn2)nnc1N1CCN(S(C)(=O)=O)CC1)c1ccccc1 1760418630 VUKYPSATKTVTKC-LJQANCHMSA-N 453.572 2.177 30 10 JEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)c2ccccc2)CC1 1760450679 POEHFQGJZHFOFM-HXUWFJFHSA-N 487.626 2.172 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1snnc1C 1760481431 WMOIQAQQSDWOCG-GOSISDBHSA-N 489.627 2.012 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(OC)c(Cl)c2)C1 1760535807 XMDHYGGAJIBTBX-GDBMZVCRSA-N 469.995 2.380 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](CN2CCC(C)CC2)C1 1760555546 HWPZCYHRJVDIRZ-LEWJYISDSA-N 465.664 2.331 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCOc2ccccc2)nnc1N1CCC(O)(C(F)(F)F)CC1 1760557191 CJKKQBYKBQNZPO-UHFFFAOYSA-N 488.532 2.394 30 10 JEEE CCCOc1ccc(/C=C/C(=O)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1OCC 1860735370 PVWZPQHCNBWSSF-YRNVUSSQSA-N 460.552 2.463 30 10 JEEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1862602852 MANVKWHBVNCLLG-JEOXALJRSA-N 456.407 2.031 30 10 JEEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccccc1C(=O)O 1862738705 HUIVMXNPABGKAM-SFHVURJKSA-N 453.407 2.007 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)COc3cccc4c3C(=O)N(CCN(C)C)C4=O)cc21 1865813240 ZWTZWTNNMMWHRY-UHFFFAOYSA-N 463.490 2.017 30 10 JEEE CCOC(=O)c1c(NC(=O)Cn2cnc3c(nnn3Cc3ccc(C#N)cc3)c2=O)sc(C)c1C 1870104176 UCSKLIOAFFOYAK-UHFFFAOYSA-N 491.533 2.402 30 10 JEEE COc1cc(C(=O)Nc2c(C#N)nnn2Cc2cc([N+](=O)[O-])cc3c2OCOC3)cc(OC)c1OC 1870105394 PZTMMQGHFAARDL-UHFFFAOYSA-N 496.436 2.251 30 10 JEEE CC(C)[C@@H](C(=O)Nc1c(C#N)nnn1Cc1ccc(C#N)cc1)N1C(=O)c2ccccc2C1=O 1870107729 WGQOUFWYFPVLTA-FQEVSTJZSA-N 453.462 2.329 30 10 JEEE C=CCNC(=O)c1cc2c(N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)ncnc2n1CCOC 1873590070 DMPJOMKMSMIHLM-UHFFFAOYSA-N 465.514 2.228 30 10 JEEE C=CCn1c(C(=O)NCc2ccc(OC)c(OC)c2)cc2c(N3CCN(C(C)=O)CC3)ncnc21 1873596260 OPMTZYQEBICWIY-UHFFFAOYSA-N 478.553 2.233 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)CSc2nnc(COc3ccccc3OC)n2N)nc1C 1874550535 RULBOXHARACENX-UHFFFAOYSA-N 490.567 2.418 30 10 JEEE COc1cc(Cn2cccc(C(=O)N3CC[C@@H](Oc4cc(C#N)ccn4)C3)c2=O)cc(OC)c1 1890084409 RLOHVUQXVVSXQR-LJQANCHMSA-N 460.490 2.474 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1COC[C@H]1C(=O)NCCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2180969511 XHNOAPMEXKHIOB-MOPGFXCFSA-N 460.380 2.184 30 10 JEEE CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2180985964 VWICOHYOYONABG-IBGZPJMESA-N 461.412 2.099 30 10 JEEE CC(C)(C)OC(=O)N[C@H](C(=O)N1CC(CB2OC(C)(C)C(C)(C)O2)C1)[C@H](O)C(F)(F)F 2254157316 FAZGZPHGRYCHRR-STQMWFEESA-N 452.279 2.354 30 10 JEEE CC(C)(C)OC(=O)NCC(F)(F)CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2255748606 GBIBGSZSXSAAOR-UHFFFAOYSA-N 482.380 2.486 30 10 JEEE CC(C)(C)OC(=O)N1CCC12CN(S(=O)(=O)c1ccc(B3OC(C)(C)C(C)(C)O3)s1)C2 2255754415 ZCLSPOBQTDTGGF-UHFFFAOYSA-N 470.422 2.431 30 10 JEEE C[C@H](c1cscc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)[C@@H](CO)NC(=O)OC(C)(C)C 2256614193 LMCXUVBVFKDAKG-CZUORRHYSA-N 454.398 2.452 30 10 JEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H](C)C1(O)CN(C(=O)OC(C)(C)C)C1 2267127815 UFPKIEZCWQJONA-AWEZNQCLSA-N 466.409 2.456 30 10 JEEE CC(C)(C)OC(=O)N1CCC(NC(=O)[C@H]2C[C@@H](B3OC(C)(C)C(C)(C)O3)C2)(C(N)=O)CC1 2267191225 ZGVXSCGKNCMQKV-GASCZTMLSA-N 451.373 2.230 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1NC(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1F 2267403240 KLLFBXJFBTUQDD-JKSUJKDBSA-N 450.316 2.147 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCOC[C@H]1NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2267417356 BZFPGSVYGKIAPZ-HUUCEWRRSA-N 488.437 2.008 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H](O)CCC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2268643199 JSQIZENIXSGFEP-AWEZNQCLSA-N 453.320 2.124 30 10 JEEE C[C@H](NC(=O)[C@@H]1COC[C@H]1NC(=O)OC(C)(C)C)c1nscc1B1OC(C)(C)C(C)(C)O1 2268699183 SFUCXGORGJGIFS-GZBFAFLISA-N 467.397 2.159 30 10 JEEE CC(C)(C)OC(=O)NCC1CN(CC(=O)NCc2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2268719874 LNXKEJLHQDQQIO-UHFFFAOYSA-N 465.425 2.120 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2CN(C(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)C(C)(C)[C@H]2C1 2281927318 YFHCEQMZSAJSBQ-HOCLYGCPSA-N 460.384 2.426 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccoc1B1OC(C)(C)C(C)(C)O1)CCO2 2282209951 ZLKFVDFKFHQKHB-QHCPKHFHSA-N 462.352 2.431 30 10 JEEE C[C@H]1C[C@H](NC(=O)C(F)(F)F)CCN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2282343077 BVMKLLPPZMJWSD-DZGCQCFKSA-N 476.326 2.206 30 10 JEEE CC1(C)OB(c2cc(S(=O)(=O)N3C[C@H]4C[C@H]3CN4C(=O)C(F)(F)F)ccc2Cl)OC1(C)C 2282495157 IMRJMCGPKWWALE-NEPJUHHUSA-N 494.728 2.175 30 10 JEEE COC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1nc(C)sc1B1OC(C)(C)C(C)(C)O1 2282509694 NTNUHIGJRXFCFZ-HNNXBMFYSA-N 481.424 2.459 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](CO)[C@@H](NC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)CC1 2282523609 ALFQERUBBROSNA-CABCVRRESA-N 481.424 2.180 30 10 JEEE C=CC1(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(O)cc2O)CN(C(=O)OC(C)(C)C)C1 2282979970 HRDOGBDINVSIJG-UHFFFAOYSA-N 460.336 2.302 30 10 JEEE C[C@@H](NC(=O)[C@]1(CO)CCCN1C(=O)OC(C)(C)C)c1nscc1B1OC(C)(C)C(C)(C)O1 2283963050 HYJFKHFYLCTOJQ-JLCFBVMHSA-N 481.424 2.382 30 10 JEEE CC1(C)OB(c2ccc(C(=O)N[C@H](COCc3ccccc3)CC(=O)O)c(O)c2)OC1(C)C 2284331553 OHMBOOLHBLKVOG-SFHVURJKSA-N 455.316 2.481 30 10 JEEE Cc1scc(C(=O)NCC2(O)CN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2320441890 YQXFNVQLIDJUEW-UHFFFAOYSA-N 452.382 2.067 30 10 JEEE O=C(C=Cc1ccccc1[N+](=O)[O-])C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 2325701547 KSPGWMDUDAJZHB-UHFFFAOYSA-N 479.898 2.490 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2cc(F)c(B3OC(C)(C)C(C)(C)O3)cc2O)CO1 2339448444 QHGWBRALDKMNEY-LBPRGKRZSA-N 452.288 2.111 30 10 JEEE COc1nc(O[C@H]2CCOC[C@@H]2NC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2339834090 FSUCLGNIEJJLJE-HOTGVXAUSA-N 450.341 2.450 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CN(c2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)CC[C@H]1CO 2345744162 YEPRXSRCOFWABK-YOEHRIQHSA-N 451.348 2.232 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@H]2CN(Cc3ccccc3)C[C@H]2C1 2362356726 SXNFDLLJPYRYNI-PMACEKPBSA-N 450.392 2.313 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@H]2CCN(C(=O)c3cnsc3B3OC(C)(C)C(C)(C)O3)C[C@H]21 2362575242 ZYNBFZIHFPULQT-CVEARBPZSA-N 479.408 2.293 30 10 JEEE C[C@@H](NC(=O)/C(C#N)=c1\s/c(=C\c2cnn(C)c2)c(=O)n1-c1ccccc1)c1ccccc1 11124494 FBHBPKQTTLJIIA-RJWWCNHASA-N 455.543 2.013 30 10 JEEE C=CCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(C)c2N2CCN(C(=O)OCC)CC2)SC1=S 33460098 SCIWPFCJEXPZEK-ATVHPVEESA-N 487.607 2.231 30 10 JEEE CCOC(=O)C1CCN(c2nc3c(c(=O)[nH]2)[C@H](c2cc(F)cc(F)c2)[C@@H](C#N)C(=O)N3)CC1 72444764 JPCAIIXEKCWLGT-HZPDHXFCSA-N 457.437 2.051 30 10 JEEE C=CCN1C(=O)C(=c2sc3nc(-c4cc(OC)c(OC)c(OC)c4)nn3c2=O)c2ccccc21 254762465 QVMAUBXCWAUPCL-UHFFFAOYSA-N 476.514 2.294 30 10 JEEE COc1ccc(OC)c(NC(=O)CSc2nnc(NN=Cc3ccccc3[N+](=O)[O-])n2N)c1 1084394957 KSQSCKSSPFNMCR-UHFFFAOYSA-N 472.487 2.094 30 10 JEEE CCOCCn1c(=C(C#N)C(=O)c2ccccc2C)sc(=Cc2cnn3ccccc23)c1=O 1115996359 PXQHAOAXRMEIDJ-UHFFFAOYSA-N 458.543 2.288 30 10 JEEE Cc1csc([C@@](O)(CC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C(F)(F)F)n1 1139811132 FGQNWMBTHWTLPQ-BEFAXECRSA-N 452.458 2.381 30 10 JEEE N#Cc1cn(CCNC(=O)c2cc(-c3ccco3)n(-c3cccc(Cl)c3)n2)c(=O)nc1O 1148392682 DWJHDDDWQZVOQK-UHFFFAOYSA-N 450.842 2.350 30 10 JEEE N#Cc1ccc(N2C[C@@H](C(=O)Nc3cc(-c4cccnc4)nn3CCO)CC2=O)cc1Cl 1168208634 BKNXLFTWZVFFKM-INIZCTEOSA-N 450.886 2.454 30 10 JEEE Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 1185120371 CJSSVUXHPWGWBK-UHFFFAOYSA-N 457.936 2.354 30 10 JEEE C=C(C)C[C@@H](NS(=O)(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1)C(=O)OCC 1194186356 BAIWDBUTKIVRBO-LJQANCHMSA-N 458.602 2.428 30 10 JEEE N#Cc1ccc(CN2CCCN(C(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)CC2)cc1 1227631278 FXOGUEOXABGGOJ-XMMPIXPASA-N 456.550 2.448 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)CN2CCCC2)c1 1286310202 XSIFPGPTACJWTC-FQEVSTJZSA-N 477.613 2.302 30 10 JEEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCS(=O)(=O)c1ccccc1 1286375390 XGXVMDGMUIAABP-UHFFFAOYSA-N 479.610 2.386 30 10 JEEE C#CCN(C)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1C[C@@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1286379167 IWUQCUCEJHDVSK-HSALFYBXSA-N 469.590 2.234 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CCOC(C)C)[C@H]1CCS(=O)(=O)C1 1286397717 UIZJHLLBOWGXCO-SFHVURJKSA-N 450.536 2.048 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCc1ccnc(C(C)(C)C)n1 1286430254 GKCGTXANRIXGNB-IBGZPJMESA-N 468.627 2.363 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccn3C)n2C[C@H]2CCC[C@@H](O)C2)n1 1286470882 DKUNNTXMPJMRHN-PZJWPPBQSA-N 451.575 2.317 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCc2ccc(OC)cc2)CC1 1286484281 HMFQDXSVWJARSJ-UHFFFAOYSA-N 464.595 2.276 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@]2(N(C)C)CCC[C@H](C)C2)CC1 1286485718 VRMVNUKFGDGIOW-DEJKCJRPSA-N 458.651 2.268 30 10 JEEE C#CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(CCOC)[C@@H](C)C1 1286504326 LRGBGDADNKXVAC-IBGZPJMESA-N 495.653 2.198 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)c2ccc(O)cc2)CC1 1286507732 CCIISOMPVDBKJU-LJQANCHMSA-N 488.635 2.352 30 10 JEEE C=C(C)COCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(NS(=O)(=O)CC)CC1 1286603340 BEENYZPAMYDQNM-UHFFFAOYSA-N 477.587 2.175 30 10 JEEE C=CC1CCN(c2nnc(-c3nn(C(C)C)c(=O)c4ccccc34)n2CCS(=O)(=O)NC)CC1 1286660217 HVCHISSNQZCFPB-UHFFFAOYSA-N 485.614 2.188 30 10 JEEE C=CCCOCCn1c(-c2ccccc2OC)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1286709309 PTEUWGBSSIAPLZ-UHFFFAOYSA-N 470.574 2.121 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1occc1C 1286766296 PCSAQADERFRKCO-HXUWFJFHSA-N 475.571 2.389 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC(F)(F)C1 1286814037 IKMSTHAYAYBECT-UHFFFAOYSA-N 473.933 2.308 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1286817169 QNWKFDYUEBGDJE-FPOVZHCZSA-N 489.642 2.102 30 10 JEEE CC(C)Cc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@H]1CN(CC(C)C)CCO1 1287468519 FJIVXLJAGYOQKR-QFIPXVFZSA-N 466.634 2.427 30 10 JEEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCc2sc(C)nc2C)CCO1 1299137344 FDAMKZNNFCYOMG-SFHVURJKSA-N 451.556 2.084 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCc1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 1300478913 GLOWEHFIEHKVNI-HXUWFJFHSA-N 478.578 2.103 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCCNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1300482610 GUOLXCMEDYXNKM-HXUWFJFHSA-N 498.609 2.358 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCc1cccc(OCCC)c1)[C@H]1CCS(=O)(=O)C1 1300491997 KSSLHCZGPVYHTN-NRFANRHFSA-N 482.610 2.337 30 10 JEEE C#CCN(c1nnc(CSc2ccc(C)cc2)n1C[C@]1(O)CCO[C@H]1C)[C@H]1CCS(=O)(=O)C1 1300504716 QZIIFIPKMYJXRE-SFYKDHMMSA-N 490.651 2.045 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1300504918 WAMUXJYEDXXASI-CEXWTWQISA-N 495.646 2.259 30 10 JEEE COc1ccccc1N1CC[C@H](Cn2c(C(=O)NC(C)C)nnc2N2CC[C@@](F)(C#N)C2)C1 1300614504 CWFQVHQBTPGBBP-GAJHUEQPSA-N 455.538 2.393 30 10 JEEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1SCCc2ccccc21 1300654435 XDOCWSZWGLTTBN-LPHOPBHVSA-N 463.629 2.005 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@@H]1C 1300892756 VFWFYZSOAVWNHG-JLMWRMLUSA-N 450.543 2.377 30 10 JEEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1301002168 VYPGVZLOMKZKNX-SFYKDHMMSA-N 450.580 2.369 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCO[C@H](COC)C1 1301568061 CNMKZCUPHDCJJV-SFHVURJKSA-N 471.583 2.254 30 10 JEEE CCS(=O)(=O)C[C@@H](C)N(C)CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 1307474568 DUUHWMYOZXYGCS-IAGOWNOFSA-N 450.605 2.111 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCN1CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1358958051 GMZOSKRIQMYZLK-WIYYLYMNSA-N 486.598 2.212 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCCC(=O)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1358958094 HPFHIMKFEXBRSD-NRFANRHFSA-N 482.610 2.092 30 10 JEEE C#CCN(c1nnc(-c2cccc3cccnc23)n1C[C@@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1358959694 NYEWGJJFSQIDKZ-MJGOQNOKSA-N 452.584 2.070 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2CCn2cc(Br)cn2)CC1 1359036828 KJZMKNLYVUMYBN-UHFFFAOYSA-N 472.366 2.422 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC2([S@](C)=O)CCC2)CC1 1359039892 ZVWGFVNEDRQEDU-WAUFSOIDSA-N 490.674 2.407 30 10 JEEE C=C(Br)Cn1c(C2CC2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1359082220 CGIXUNIAKIUWFZ-SFHVURJKSA-N 453.429 2.295 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOCC)[C@@H](CC)C1 1359100031 WBJIMVOEFFYTRH-MLNNCEHLSA-N 495.690 2.099 30 10 JEEE C=CCCOCCn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1359227095 SNQKWNXXVIPODH-YADHBBJMSA-N 474.650 2.288 30 10 JEEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2cc(F)cc(F)c2C1 1359343272 POMDBODVYPSBQQ-IBGZPJMESA-N 499.609 2.371 30 10 JEEE C=CCSCCn1c(N2CCC([C@H]3NC(=O)N(C)C3=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1359346783 WAXQYIPLHXVQSH-JPYJTQIMSA-N 492.646 2.005 30 10 JEEE Cc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@H](C#N)C2)c(OCC(F)(F)F)c1 1361263625 HBPDMXKQZNKBMR-MRXNPFEDSA-N 466.464 2.443 30 10 JEEE COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)Cn1cc(C)cc(C#N)c1=O 1473044934 HJQLYFRSLTUGGY-UHFFFAOYSA-N 458.540 2.240 30 10 JEEE CCOc1ccc(O[C@@H](C)c2nnc(N(C)C[C@H](C)C#N)n2CC(=O)N2CCOCC2)cc1 1502850784 GZNNAFVTODFBHI-MSOLQXFVSA-N 456.547 2.271 30 10 JEEE C#CCN(c1nnc(CSc2ccc(C)cc2)n1CCc1cn[nH]c1)[C@@H]1CCS(=O)(=O)C1 1507638174 PBRNWRVPRRMXCJ-LJQANCHMSA-N 470.624 2.471 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2CCNC(=O)C(C)C)CC1 1507721737 SZZOWTOEYOFJPE-UHFFFAOYSA-N 489.418 2.244 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2Cc2nncn2CC)CC1 1507735156 MFEBBYQJLIUWBS-UHFFFAOYSA-N 482.976 2.233 30 10 JEEE C=C(C)COCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1507835906 QCBAHOKFXRTNPD-IBGZPJMESA-N 461.588 2.363 30 10 JEEE C=CCC(C)(C)Cn1c(CC2CC2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1507923101 NMAHKLVLHSNSLN-IBGZPJMESA-N 451.637 2.464 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCN(c2nc(CC)ns2)CC1 1508137684 QBZVJPSCWZKLRS-UHFFFAOYSA-N 491.618 2.426 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCc3ccccc3CC2)nnc1[C@@]1(OCC)CCOC1 1508147751 BQQMAVZKWHAVSZ-HSZRJFAPSA-N 460.600 2.136 30 10 JEEE CCN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CC1CCN(C(=O)OC)CC1 1515771490 HTKHIOIQSYJPDG-UHFFFAOYSA-N 474.587 2.166 30 10 JEEE CCO[C@H]1C[C@H](N(C)c2nnc(-c3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)C1(C)C 1516376250 FWQKLRDONLBIKZ-PMACEKPBSA-N 472.615 2.492 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCCCCC2)nc1 1538974273 SBGLWRINYIISCK-ROUUACIJSA-N 459.620 2.170 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3csc(C)n3)n2C[C@@H]2COCCO2)c1 1539046682 YALGWLSQLUXHMV-HXUWFJFHSA-N 466.567 2.105 30 10 JEEE C#CCCCn1c(N2CC[C@H](N3CCN(C(C)C)CC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1539141143 SKSNFOCMOXVUJT-WIOPSUGQSA-N 458.651 2.337 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1Cc1ccoc1)[C@H]1CCS(=O)(=O)C1 1539204167 ZNTPKKZYQIYAGY-FQEVSTJZSA-N 467.551 2.415 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCn1cc(Cl)cn1 1539315456 NDPMJEITNSRKQI-UHFFFAOYSA-N 460.929 2.205 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CCC(=O)NCCC)CC1 1539469459 APHNDCPWPDOWSP-UHFFFAOYSA-N 488.596 2.217 30 10 JEEE C=CC1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCN2CCCS2(=O)=O)CC1 1539874153 BLNJBCQXKSKQCO-UHFFFAOYSA-N 469.409 2.474 30 10 JEEE C=CCn1c(C2CCCC2)nnc1N1C[C@@H]2[C@@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1540857294 NJNQKIXFJHJDRK-IKGGRYGDSA-N 451.593 2.248 30 10 JEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C2CCOCC2)CC1 1540858428 WREAZZWJQGRBCI-IBGZPJMESA-N 462.595 2.074 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(=O)c2ccco2)CC1 1540863087 OUQIJTRHPHXWKZ-QGZVFWFLSA-N 482.516 2.415 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1540864107 PHJKNAMJRGOHJV-IAGOWNOFSA-N 473.375 2.257 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](COC(C)C)C1 1540899941 FTIUGQRMRDTALU-HXUWFJFHSA-N 459.572 2.048 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1C[C@H](F)CN1Cc1cccs1 1541105112 FCIPBIYCVAIBEV-NCOADZHNSA-N 483.639 2.158 30 10 JEEE Cc1nn(C)c(C)c1CN(C)c1nnc(-c2cccc(C#N)c2)n1CC1(C(N)=O)CCOCC1 1542987584 AWUKRODOJWXRTB-UHFFFAOYSA-N 462.558 2.086 30 10 JEEE CCN(CC)S(=O)(=O)c1ccc(N2C[C@H](C(=O)Nc3cc(C#N)cc(C)n3)CC2=O)cc1 1544528498 AYTQXLXACSOCAR-QGZVFWFLSA-N 455.540 2.284 30 10 JEEE N#Cc1ccc(N2CCN(C(=O)C3CCOCC3)[C@H](C(=O)NC3CC3)C2)cc1C(F)(F)F 1548369535 RVBITZSLQZXCCC-IBGZPJMESA-N 450.461 2.299 30 10 JEEE CN(C)C(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(c2cnn(C)c2)CC1 1552712620 FXHDNBIVNGQOGJ-UHFFFAOYSA-N 462.558 2.325 30 10 JEEE C#CCNC(=O)CN1CCCN(C(=O)COc2ccc3cc(Br)ccc3c2)CC1 1565589919 FCTWDTAUTKSJEX-UHFFFAOYSA-N 458.356 2.265 30 10 JEEE C#CCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC[C@@H](C(=O)NC)C1 1587878676 FAQJAATXYWOBGW-JOCHJYFZSA-N 463.630 2.019 30 10 JEEE C#CCN(c1nnc(COc2ccccc2OCC)n1C[C@@]1(C)CCCO1)[C@@H]1CCS(=O)(=O)C1 1588069703 SPRWINZPWTVUKU-NTKDMRAZSA-N 488.610 2.452 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1[C@H]1C[C@H](c2ccccc2C)C1 1588387265 SJMYVAKOEQJANQ-ZJOUEHCJSA-N 457.600 2.498 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1nccnc1C 1588550832 ZDIDUOIDWDDKPE-LJQANCHMSA-N 468.558 2.300 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccccc2COCCC)CC1 1588923587 FTMSREAGPYDFIW-JOCHJYFZSA-N 478.597 2.170 30 10 JEEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1593696341 NSVAVVDPVJWSCE-UHFFFAOYSA-N 495.506 2.413 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCCN(CC)C(=O)C1 1595477111 QWSWOXYTIHYBDS-INIZCTEOSA-N 460.966 2.432 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@@H]1[C@H]2CCC[C@H]21 1595766318 OLNWARADLGTRJZ-BWTSREIZSA-N 464.613 2.184 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 1595784870 LWTMCVMCGHDOCN-FUHWJXTLSA-N 476.603 2.290 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](CCc2ccccc2)C1 1595798179 NABUDJHGDLEIMZ-SFTDATJTSA-N 460.600 2.221 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1595831767 VQEXIWKNZZAQDR-OKZBNKHCSA-N 483.635 2.470 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@@H](c1ccsc1)N(C)C 1611683853 AQSSUTUNPFBPGG-QAPCUYQASA-N 465.649 2.383 30 10 JEEE CN(CCn1c(-c2cccn2C)nnc1N1CCN(c2ccc(C#N)cn2)CC1)CC(F)(F)F 1618267425 DDEOOBRNCYFJJP-UHFFFAOYSA-N 473.507 2.371 30 10 JEEE CNC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2nccnc2C)C1 1618653466 FINQYDXTJUNAJY-LJQANCHMSA-N 460.542 2.032 30 10 JEEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCC[C@@H]2C)C[C@H]1C 1619951653 HQFLYWRPXVSQMN-LEWJYISDSA-N 467.618 2.370 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(O)(Cc3cccc(F)c3)CC2)s1 1634586935 KFCKTDZFCDKNQK-UHFFFAOYSA-N 452.573 2.490 30 10 JEEE C=CCS(=O)(=O)CCNC(=O)Nc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1 1667144409 CKRUDJAZCOJMHJ-UHFFFAOYSA-N 451.570 2.230 30 10 JEEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](CC(C)C)c2cc(Cl)ccc2OC)CC1 1679460940 KJTUVLUBMWRGQZ-GOSISDBHSA-N 456.996 2.231 30 10 JEEE N#Cc1ccc(NC(=O)N2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)nc1 1679568061 APKIEENGVWRHDB-UHFFFAOYSA-N 456.347 2.316 30 10 JEEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(C)=O)C[C@@H]1C 1689931728 GOEAELMMPWKMHF-HKUYNNGSSA-N 460.579 2.057 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2c(F)cccc2F)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1690021000 DHKGDPZQQBYQRG-PGRDOPGGSA-N 487.576 2.424 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCN1CCOC[C@@H]1C 1690031276 FRDQFXUMEQEFMU-IBGZPJMESA-N 468.989 2.045 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCN(C)C(C)C 1690048819 PJPICYXDUNTSQO-HXUWFJFHSA-N 458.607 2.390 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2CC2(C(=O)N(C)C)CCCC2)CC1 1690133336 CHYYRHQFTUCQIT-UHFFFAOYSA-N 480.613 2.270 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1 1690236371 LZLHUWWGRDRAFD-OITUCODZSA-N 493.605 2.107 30 10 JEEE C=CCCOCCn1c(N2C[C@@H]3[C@H](C2)[C@@H](NC(=O)OC(C)(C)C)CS3(=O)=O)nnc1C(C)(C)C 1690511043 NTUZBNSSBNNVPG-FGTMMUONSA-N 497.662 2.295 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1690662965 HRUYFFMIQXQVPO-HDICACEKSA-N 497.556 2.459 30 10 JEEE C=CCOc1ccccc1Cn1c(N2CCN(C(=O)OC)CC2)nnc1[C@@]1(OCC)CCOC1 1690684501 GYMSEZIOZGHLCQ-XMMPIXPASA-N 471.558 2.432 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCO[C@@H](C#N)C1 1690719980 WWTWSLROKIIXKB-SFHVURJKSA-N 475.571 2.070 30 10 JEEE COC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1)OC 1697756901 HQLJTTJMPDFSQV-HSZRJFAPSA-N 495.628 2.049 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1Cc1cn(C2COC2)nn1 1705477506 OYHOGOQJLUSUQO-IAGOWNOFSA-N 451.531 2.486 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)c1ccc2c(c1)OCCO2 1705492179 MSXSNELPIJBYIL-IAGOWNOFSA-N 458.584 2.387 30 10 JEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(Oc2cncc(Cl)n2)CC1 1705517582 YVSHEQYBFHFDOW-INIZCTEOSA-N 479.006 2.475 30 10 JEEE C#CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](C(=O)NC)C1 1705523480 YUUDNEXCUKKCPE-ZWKOTPCHSA-N 460.579 2.105 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC(=O)NCCc1ccccc1 1705588158 XVEYNTJQAKXHPX-SZPZYZBQSA-N 490.608 2.481 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(Br)cn2C)n1Cc1cccc(OCC(N)=O)c1 1705592292 UBISPMQCIDIHRG-UHFFFAOYSA-N 495.381 2.421 30 10 JEEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 1705819372 KIWQAXDSSBYWAH-IRFCIJBXSA-N 475.663 2.399 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1705898670 SURQMGAQTQBMOP-ZDUSSCGKSA-N 457.888 2.369 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCCN(c2nccs2)CC1 1705900000 MWVCTBWAXKMNGK-UHFFFAOYSA-N 453.572 2.429 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCN(c2ccc(F)cn2)CC1 1705907892 AZSXSHACFQNCKC-UHFFFAOYSA-N 481.532 2.029 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](c2ccccc2)N(C)C)C1 1705925540 QJAZVNZDOFSOQL-PWRODBHTSA-N 459.616 2.264 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1705933644 OCEINVUQIAOLDX-HXUWFJFHSA-N 468.583 2.009 30 10 JEEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)N2CCC[C@@H](C)C2)C1 1710345512 FFLXNFXBYPXUQA-WOIUINJBSA-N 485.658 2.455 30 10 JEEE CS(=O)(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CSCCS2)CC1 1712705757 AGFAFAALFWLSCE-SFHVURJKSA-N 478.669 2.183 30 10 JEEE C#CCCCn1c(Cc2csc(C)n2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1722334499 CCBRQZCWPXFESP-PGRDOPGGSA-N 469.659 2.426 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CC(C)(C)COC)[C@@H]1CCS(=O)(=O)C1 1722364285 FMMFKAWTTTYICF-MRXNPFEDSA-N 466.554 2.446 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1nc(C(C)(C)C)cs1 1722429421 QTDWIKUTLJBMFI-INIZCTEOSA-N 465.645 2.263 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCCN(C(C)C)C(C)C)CC1 1722435982 UGAVYOVYFAEAPD-UHFFFAOYSA-N 476.633 2.185 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccc(NC(=O)CC(C)C)c2)CC1 1722437380 SIGGSSASERGYCS-OAQYLSRUSA-N 463.586 2.017 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2C[C@H](C(C)C)N2CCOCC2)CC1 1722448511 YMMVZIFYGAEDMX-OAQYLSRUSA-N 458.651 2.189 30 10 JEEE C#CCSCCn1c(N2CCN(c3nc(C)cc(C)n3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1722464709 PQCNENQGNXULLO-XMMPIXPASA-N 485.658 2.419 30 10 JEEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)NCCCC)CC1 1722486596 AMQSAWMIZHHZIL-UHFFFAOYSA-N 467.412 2.442 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C)CC1 1722505549 BTFULXVEVXNIIM-WTGUMLROSA-N 467.636 2.219 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nc(C)c(C)s2)CC1 1722537097 KPSPDEJSAWSCSH-SFHVURJKSA-N 480.660 2.173 30 10 JEEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)CC(=O)Nc1cccc(C)c1C 1722542576 DESVMWZHLVUYHY-OAHLLOKOSA-N 454.984 2.333 30 10 JEEE C=CCC(C)(C)Cn1c(N2CCC([C@@H]3NC(=O)N(C)C3=O)CC2)nnc1[C@@]1(OCC)CCOC1 1722593513 UEXOBINKRCMVHW-MHECFPHRSA-N 474.606 2.299 30 10 JEEE C=CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H]1NC(=O)CC1(C)C 1722679749 LAXBUYLQDKARRP-IBGZPJMESA-N 479.585 2.228 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(c3ccccn3)CCC2)C1 1722710009 BVNNTEUIORXUAF-ROUUACIJSA-N 460.604 2.187 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccccc1N1CCCCC1 1723933651 GMLQWVOEBBNFBA-VGOFRKELSA-N 475.594 2.369 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCC(C)(F)F 1727222525 DWNNDRFBHAKAHK-UHFFFAOYSA-N 477.564 2.482 30 10 JEEE C#CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1740578747 FRXALEDMXDKMBA-IBGZPJMESA-N 475.557 2.093 30 10 JEEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1740589777 BKFSIOOJUOOTOC-RTWAWAEBSA-N 499.616 2.410 30 10 JEEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1740598681 ZTDAOZIAGVEQEV-PXNSSMCTSA-N 451.527 2.148 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCCO2)n1CCCn1cc(CO)nn1 1740676381 BBIUQSCIAAWVGH-OAQYLSRUSA-N 453.522 2.473 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCCN(C)[C@@H]2c2cccs2)CC1 1740689018 NWJFCMOVAFNNNN-FPOVZHCZSA-N 469.659 2.316 30 10 JEEE C#CCN1CCN(c2nnc([C@H](CC)c3ccccc3)n2C[C@@H]2CCCN2CCCO)CC1 1740690347 ISRIUOOFTDZDRG-BJKOFHAPSA-N 450.631 2.422 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H](OC)c2ccccc2)CC1 1740691941 DAGBDIBUMVSPFU-WIOPSUGQSA-N 453.587 2.462 30 10 JEEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1740794120 PVRYPTFPIWVVCL-UHFFFAOYSA-N 450.591 2.302 30 10 JEEE C=C1CCN(c2nnc(Cc3ccccc3F)n2CCNS(=O)(=O)Cc2ccon2)CC1 1740827171 LVYSMMHBPRWJDQ-UHFFFAOYSA-N 460.535 2.272 30 10 JEEE C=CCN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1(C(N)=O)CCOCC1)C1CC1 1740906904 NXQNGTIQHXZJGO-UHFFFAOYSA-N 472.977 2.298 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCN(C2CCCCC2)C(=O)C1 1740964186 KHIBCFXIVUMVCU-UHFFFAOYSA-N 470.549 2.280 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CC(=O)N(CCOC)C2)C1 1740975960 RPDMJXJLSUUCGO-PZJWPPBQSA-N 450.543 2.093 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC(n2ncc3ccccc32)CC1 1740985606 JVQPESYYBXULGD-UHFFFAOYSA-N 485.614 2.208 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC(NC(C)=O)CC1 1740988834 QRJROSZBNSVVNZ-UHFFFAOYSA-N 482.006 2.313 30 10 JEEE CC(C)Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCS(=O)(=O)C(C)(C)C 1741474242 FINADNBRQWOZQY-UHFFFAOYSA-N 459.620 2.283 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN(C(=O)OC(C)(C)C)C1CC1 1741802003 DQHRRSFUTPYIKV-JKSUJKDBSA-N 466.608 2.318 30 10 JEEE C#CCCCCn1c(Cc2ccncc2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1748718710 NANSVXVOIWRTHN-UHFFFAOYSA-N 485.639 2.343 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CC1(N(C)C)CCC1)[C@@H]1CCS(=O)(=O)C1 1748809196 KLFZJCMCSQYXIF-QGZVFWFLSA-N 463.007 2.105 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCN(CC)CCC)[C@@H]1CCS(=O)(=O)C1 1748809913 QUNMCZYAUYUNOW-GOSISDBHSA-N 465.023 2.352 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CC(C)(C)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1748818659 DAFQETODUWCISD-MRXNPFEDSA-N 455.506 2.479 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccc(Br)cc2)n1CC1(O)CCOCC1 1748855997 OWZCFWDLQLBKRO-UHFFFAOYSA-N 459.344 2.234 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(O)CCC[C@@H]1C 1748858661 RHCFXHDZGCTOJE-JXQFQVJHSA-N 457.575 2.210 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCC1(O)CCC1 1748892394 OHNWAVYERUVFDN-IBGZPJMESA-N 457.575 2.355 30 10 JEEE C#CCN(CC#CC)c1nnc(COc2cccc(C)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1748901287 VZGWJJDNCVIRND-WCWDXBQESA-N 458.522 2.155 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](OC)c2ccc(Cl)cc2)CC1 1749001648 YJHWCHNIJXSGOH-HXUWFJFHSA-N 487.004 2.423 30 10 JEEE C=C(Br)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCO[C@H](CNC(C)=O)C1 1749096186 HUBDEZFCWFROFW-LJQANCHMSA-N 486.374 2.381 30 10 JEEE C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)C[C@H](C)CC 1749103807 DQHSMAYOUZZVMD-UKRRQHHQSA-N 464.430 2.392 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C)cc(OC)c1 1749159434 UYHSEPAIHHLLNW-HXUWFJFHSA-N 463.604 2.379 30 10 JEEE COCC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)CN2CCCC2)CC1 1749254549 DDIYQCFURZSTRF-UHFFFAOYSA-N 495.628 2.146 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1)C(C)C 1749557432 ISIVTZMJZLURGL-WJFTUGDTSA-N 458.563 2.042 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H]1CCCN1S(C)(=O)=O 1749575551 TWXDTIXYBGHHRE-XLIONFOSSA-N 459.572 2.393 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1749657698 BCQCLMMSTRFWBJ-WMLDXEAASA-N 464.364 2.250 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCc3cc(F)cc(F)c3C2)nnc1[C@@]1(OCC)CCOC1 1749739844 KYMBSBGXJDHGKP-JOCHJYFZSA-N 482.553 2.372 30 10 JEEE N#Cc1ccccc1N1CCN(c2nnc([C@@H]3CCCCO3)n2CC(=O)NCC(F)(F)F)CC1 1750384630 HVBFYTLJVUIBNI-SFHVURJKSA-N 477.491 2.396 30 10 JEEE Cc1ccc(C(C)C)c(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCS(=O)(=O)NC(C)C)c1 1751447302 FHVOFJUVDMOVEG-IBGZPJMESA-N 490.630 2.346 30 10 JEEE C#CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC(=O)NCC(F)(F)F 1760171567 DMBHOYYFFBZUEZ-UHFFFAOYSA-N 458.485 2.141 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H](C)N1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1760185213 SCPPTEYBOXFKTG-WOJBJXKFSA-N 456.616 2.087 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CCc1cccnc1)[C@H]1CCS(=O)(=O)C1 1760192885 ZJAFJPLCFYLFHR-FQEVSTJZSA-N 469.542 2.261 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(F)ccc2Br)n1CCC(=O)N1CCOCC1 1760195623 HUVOKCWPQQSPOM-UHFFFAOYSA-N 474.334 2.168 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)c1cccs1 1760219532 HESZYZZUHKZYAL-SFHVURJKSA-N 475.640 2.113 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](OC)C(C)C 1760241995 QJQWSFUNBNURNL-SFTDATJTSA-N 493.605 2.061 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@](C)(O)[C@H](C)CC)CC1 1760252972 ZNXIZHUPSZMNOR-KOSHJBKYSA-N 473.021 2.414 30 10 JEEE C=C(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 1760343974 LCBOHYSYHMSCKZ-UHFFFAOYSA-N 458.588 2.270 30 10 JEEE C=C(C)COCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1760352162 QNWGMVYJAVXDSC-OAQYLSRUSA-N 450.543 2.237 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1760519079 QRSVBQVTQLMDOF-UHFFFAOYSA-N 489.580 2.351 30 10 JEEE C=CCOc1ccc(Cn2c(COCC)nnc2N2CCN(C(=O)[C@H]3CCCN3C)CC2)cc1 1760531315 KUIMQFVGBPCCOT-JOCHJYFZSA-N 468.602 2.171 30 10 JEEE CN(C)C(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)C1CCN(CCn2cccn2)CC1 1766861267 FSYHXSDAGFAMDP-UHFFFAOYSA-N 475.601 2.092 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@H]2c2cc(OC)c(O)c(OC)c2)cc1C 1862409622 PDBSZACYAZYKTH-NRFANRHFSA-N 484.505 2.441 30 10 JEEE COc1cc(-n2nnc(C#N)c2NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc(OC)c1OC 1870156368 JRCWRINXTSAYOP-UHFFFAOYSA-N 469.370 2.233 30 10 JEEE N#Cc1cccnc1OCC1CCN(C(=O)C[C@H]2CSc3nc4c(c(=O)n32)CCC4)CC1 1891291729 ZUKHLHWCIPSTRM-KRWDZBQOSA-N 451.552 2.353 30 10 JEEE COc1ccc([C@@H]2[C@H](C(=O)N3CCC[C@H](Oc4nccnc4C#N)C3)OCC(=O)N2C(C)C)cc1 1891565400 QLAVETXRNFDBFN-WWPVKYPJSA-N 479.537 2.104 30 10 JEEE CC1(C)OB(c2cc(C(=O)N3CC(CNC(=O)C(F)(F)F)C3)sc2Cl)OC1(C)C 2247845528 RVIVTLVTOHOOAD-UHFFFAOYSA-N 452.691 2.451 30 10 JEEE Cc1sc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)cc1B1OC(C)(C)C(C)(C)O1 2255608496 MHMPLOXOHKUCMO-GJZGRUSLSA-N 452.382 2.066 30 10 JEEE CC1(C)OB(c2sccc2CS(=O)(=O)N(CCC(N)=O)Cc2ccccc2)OC1(C)C 2255799396 HWQKPXMTGVTDRB-UHFFFAOYSA-N 464.418 2.255 30 10 JEEE CO[C@@H]1C[C@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)s2)N(C(=O)OC(C)(C)C)C1 2256629174 QVGAJWXBBWMGHG-CHWSQXEVSA-N 453.370 2.405 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)CCCO1 2267150257 CAWMYGWBMNAHMY-AWEZNQCLSA-N 467.397 2.198 30 10 JEEE CC(C)[C@@H](CCNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)NC(=O)OC(C)(C)C 2267183323 MOVHGYMITMMFPP-MRXNPFEDSA-N 450.389 2.389 30 10 JEEE C=C(CS(=O)(=O)N1C[C@H]2CCO[C@]2(CNC(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2267469783 ATAQSXCKBNTRLC-IIBYNOLFSA-N 472.413 2.119 30 10 JEEE COCCN(C(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1)C1CN(C(=O)OC(C)(C)C)C1 2267484753 BXRTXANJGYIQRR-UHFFFAOYSA-N 467.397 2.150 30 10 JEEE CC(C)[C@@H](CNS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1)NC(=O)OC(C)(C)C 2267705493 YJMKOMPYEHWGHF-QGZVFWFLSA-N 469.413 2.208 30 10 JEEE C[C@H]1C[C@@H](NC(=O)C(F)(F)F)CN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2267730306 XWLVUWWPDUPYQH-NWDGAFQWSA-N 482.355 2.125 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@H]2C[C@H]1C[C@@H]2C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2268709259 AHBYAPZIDZTUMC-RFGFWPKPSA-N 464.397 2.137 30 10 JEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](CNc2ncccc2B2OC(C)(C)C(C)(C)O2)[C@H]1OC 2279459527 HEGYANQACVEGPV-KZNAEPCWSA-N 463.384 2.442 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](O)CN1C(=O)c1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2281786966 YDHQYHCCTWJIRX-HZPDHXFCSA-N 464.343 2.225 30 10 JEEE CC(C)(C)OC(=O)N1[C@H](CNC(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)C[C@@H]2COC[C@H]21 2281808581 DCFQNWGNZKWKOC-IJEWVQPXSA-N 479.408 2.197 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1C[C@@](F)(CNC(=O)OC(C)(C)C)C1 2281966378 PNSVPOQPSXXCSC-CAJLXGCNSA-N 466.363 2.327 30 10 JEEE Cc1nn(C)c(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]3C[C@H]32)c1B1OC(C)(C)C(C)(C)O1 2281992022 IODVCIYJOVHWLS-XHSDSOJGSA-N 460.384 2.155 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCC[C@H]1CNC(=O)OC(C)(C)C 2282001203 YATHHDTXEWUQKD-HOTGVXAUSA-N 462.400 2.451 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2O)c1 2282108389 XPAPZQWETIAOTL-RTBURBONSA-N 460.380 2.394 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@H]1C[C@@H]1NC(=O)OC(C)(C)C 2282494363 YQBFSVGYHYKPSB-ZBFHGGJFSA-N 482.408 2.186 30 10 JEEE Cn1ncc(C(=O)Nc2ncccc2CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2282562655 SZYYFLVCGNSTJR-UHFFFAOYSA-N 457.340 2.391 30 10 JEEE Cn1ncc(C(=O)N2CC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)c1B1OC(C)(C)C(C)(C)O1 2282569193 NYWVHACLZHJAQJ-HSZRJFAPSA-N 460.384 2.192 30 10 JEEE Cn1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)n1 2282578630 UOUFWNSMZNIIQZ-MUJYYYPQSA-N 460.384 2.380 30 10 JEEE Cc1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@]2(C)CO)oc1B1OC(C)(C)C(C)(C)O1 2282585109 YUYGQBRGTJKVRW-QHCPKHFHSA-N 464.368 2.331 30 10 JEEE C[C@H]1CCC[C@@H](CNC(=O)OC(C)(C)C)N1C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2282616766 BIUPQBQADODDLE-GJZGRUSLSA-N 463.388 2.022 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2C[C@@H](B3OC(C)(C)C(C)(C)O3)C2)[C@@H]2CS(=O)(=O)C[C@@H]21 2282630351 IAFQZFULIWJURN-TWMKSMIVSA-N 484.424 2.104 30 10 JEEE COC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn1C 2282681853 HXCTVPRDOXMCAJ-QGZVFWFLSA-N 463.384 2.032 30 10 JEEE CC1(C)OB(c2ccc(C(=O)NC[C@H]3COCCN3Cc3ccccc3)c(O)c2)OC1(C)C 2282883099 VVKHXSWLKIWCRO-FQEVSTJZSA-N 452.360 2.322 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)N1CCc2ccc(B3OC(C)(C)C(C)(C)O3)cc21 2283964008 QRTZLGWHVIYZDW-HKUYNNGSSA-N 458.364 2.245 30 10 JEEE Cc1c(C(=O)N2C[C@H]3C[C@@]3(CNC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2288265421 SGBSEHPZRGAGIE-IQMFZBJNSA-N 460.384 2.015 30 10 JEEE Cn1ccc(C(=O)N2CCC([C@@H]3CN(c4ccc(C#N)c(C(F)(F)F)c4)C[C@@H]3C(N)=O)CC2)n1 2297651106 ZPHAEAPZMDZPMF-ROUUACIJSA-N 474.487 2.401 30 10 JEEE CC(C)(C)OC(=O)N[C@]1([C@@H](O)C#CC2(S(C)(=O)=O)CCC2)CCN(Cc2ccccc2)C1 2319389001 UGJUFUUGJJSQTM-GBXCKJPGSA-N 462.612 2.487 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC2CC(CCNC(=O)OC(C)(C)C)C2)n1C 2362492409 BPHJJDSRBPRMLO-UHFFFAOYSA-N 462.400 2.451 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CN(C(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)[C@]2(CCOC2)C1 2362579473 ZQERJNZCONWBJI-JLCFBVMHSA-N 479.408 2.341 30 10 JEEE CC(C)(C)OC(=O)N1CC(CO)(C(=O)Nc2cc(F)c(F)cc2B2OC(C)(C)C(C)(C)O2)C1 2379897319 KCKVWXSRPWQZHX-UHFFFAOYSA-N 468.306 2.432 30 10 JEEE O=S(=O)(c1ccc(Cl)c(NC(=S)NN=Cc2ccc(O)cc2)c1)N1CCOCC1 261180997 WCDHRCGVSVNCDS-UHFFFAOYSA-N 454.961 2.387 30 10 JEEE aggregator COCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1-c1cccc(Cl)c1 603787547 CJPYPOJTHCXISK-UHFFFAOYSA-N 453.951 2.208 30 10 JEEE CC(C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 1127219694 GJHBJEZDCSPGKI-UTKZUKDTSA-N 459.554 2.250 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)C(=O)[C@]23CCC(=O)N2c2ccccc2C(=O)N3CCC)c1 1141896398 CQCPIIZSNOOTOL-SANMLTNESA-N 458.518 2.454 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1C(F)(F)F 1286297993 ZNICLTVRVIQHMM-YOEHRIQHSA-N 471.505 2.136 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCc1cccc(C)n1)[C@H]1CCS(=O)(=O)C1 1286382463 JHKMVKMAFMZVIH-NRFANRHFSA-N 480.550 2.426 30 10 JEEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCC(=O)NC(C)C 1286412850 FMXYLRUVZZINGV-UHFFFAOYSA-N 456.591 2.380 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1(N(C)C)CCOCC1 1286418701 GNMQKRPSLDMHMA-UHFFFAOYSA-N 483.016 2.435 30 10 JEEE C#CCSCCn1c(N2CCN(C(=O)c3ccc(O)cc3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1286513578 WZSXTEFHFOWINU-RUZDIDTESA-N 499.637 2.353 30 10 JEEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 1286543248 HRDQDISOWNTLRM-LJQANCHMSA-N 489.418 2.165 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc[nH]2)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1286564200 XGYFBFKTMJBYFL-GGPKGHCWSA-N 463.604 2.284 30 10 JEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(=O)Nc2ccc(F)cc2)CC1 1286651814 MNFLWMGLWPQVNS-CQSZACIVSA-N 450.540 2.069 30 10 JEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1cccs1)N(C)C)C1CC1 1286738435 UWEKVXVALWXRLR-QZTJIDSGSA-N 480.660 2.130 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1286792421 XKLTUSXEIXEMDM-DVECYGJZSA-N 455.559 2.242 30 10 JEEE CC(C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2ccccn2)CC1 1288248924 GUDUYLJXJCXPDE-UHFFFAOYSA-N 458.570 2.101 30 10 JEEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](c2ccnn2C)C1 1297695879 CLJOGVVKNFOUKY-LJQANCHMSA-N 453.572 2.369 30 10 JEEE CN(C[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCO2)C1)S(C)(=O)=O 1298547694 GWOTWJSVGAHUGO-QUCCMNQESA-N 458.588 2.104 30 10 JEEE C#C[C@@H]1CCCN(C(=O)c2cc(Br)cc(S(=O)(=O)N3CCOCC3)c2F)C1 1300008497 ORGVCNVBEPIDAS-CYBMUJFWSA-N 459.337 2.095 30 10 JEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(O)(Cc2ccccc2F)CC1 1300381402 QQTNBIKPKPEWPK-QGZVFWFLSA-N 463.579 2.015 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@@H]1CC(F)(F)CO1)[C@H]1CCS(=O)(=O)C1 1300498052 GFNBULXCJMXYHG-GJZGRUSLSA-N 486.491 2.198 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cc(C)nn1C 1300577912 FJGLPBSMRRKGSI-FQEVSTJZSA-N 467.574 2.140 30 10 JEEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@H]2CCCN2CCCO)CC1 1300707265 COQNHXSJNCQJFQ-HSZRJFAPSA-N 466.630 2.076 30 10 JEEE C#CCSCCn1c(-c2ccccc2C)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1300752070 WBWZXSKOGWUXFQ-UHFFFAOYSA-N 486.623 2.260 30 10 JEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1 1300768521 SPCNEDIHSCMFFE-UHFFFAOYSA-N 487.029 2.383 30 10 JEEE C=C(C)COCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(C(C)=O)C[C@H]1C 1300992427 ZCEXRNRFWWXMPF-GOSISDBHSA-N 479.585 2.325 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC=CO1 1301339264 KOBBJZAMALAQPY-FCHUYYIVSA-N 498.609 2.368 30 10 JEEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1301469040 WKZIJPDISNBMRB-UHFFFAOYSA-N 452.540 2.124 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(Br)c1 1358930143 PGQUOQPJIUCAFG-SFHVURJKSA-N 496.431 2.423 30 10 JEEE C#CCN(c1nnc(COc2ccccc2CC)n1CC1(O)CCCC1)[C@H]1CCS(=O)(=O)C1 1358967507 LTVQARBDXSTORC-FQEVSTJZSA-N 472.611 2.351 30 10 JEEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1C[C@@H]1CCN(CC)C1)[C@@H]1CCS(=O)(=O)C1 1358967991 WZTRAQXLUZZWBU-UYAOXDASSA-N 492.045 2.479 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC(=O)N1CCOCC1 1359009056 HJIGWLWZJIXZTC-LJQANCHMSA-N 474.606 2.101 30 10 JEEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ncccc1N(C)C 1359024469 NXBLQAXFWJXMAC-UHFFFAOYSA-N 475.601 2.047 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(C3CCCC3)n2C[C@@H]2NC(=O)CC2(C)C)n1 1359028381 QBJAOCVBQBOHCB-FQEVSTJZSA-N 453.591 2.333 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC2(O)CCN(C(C)C)CC2)CC1 1359030967 LOJPOLYZKDYAFR-UHFFFAOYSA-N 490.450 2.026 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2Cc2ccccc2CN2CC[C@@H](O)C2)CC1 1359040022 FJWSTLOSCOKURS-HSZRJFAPSA-N 478.641 2.156 30 10 JEEE C=C(Br)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1359079215 BDJCEGFNNUNQEM-CYBMUJFWSA-N 492.769 2.434 30 10 JEEE C=C(Cl)Cn1c(N2CCN3C(=O)NC[C@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1359157718 RSIUCHZVWRINCO-ZNMIVQPWSA-N 451.959 2.015 30 10 JEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)c1ccccc1Cl)C1CC1 1359251680 RWZIMEHCEMUTLY-KNQAVFIVSA-N 496.033 2.327 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC(c2ncc(C)s2)CC1 1359331174 PJEHZQHSWUYGQK-UHFFFAOYSA-N 459.601 2.485 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@H](C)[C@H](OC)C1 1359333216 RAHYCTFLFURXIF-DBVUQKKJSA-N 462.572 2.253 30 10 JEEE C=CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H](C(=O)OC)C1 1359337943 GWSKJHQTGFMINK-KRWDZBQOSA-N 479.628 2.114 30 10 JEEE CC(=O)N1CC[C@H](CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc(C#N)o2)C1 1359356210 IHSDEKOYNGEZSD-JPYJTQIMSA-N 456.547 2.136 30 10 JEEE CNC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCOc2ncccc2F)C1 1503760209 FFALLCIQTXVCML-GOSISDBHSA-N 479.516 2.304 30 10 JEEE COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@@H]2CCO[C@H](C)C2)CC1 1504530377 CUXCVDVBDDAEHF-RTBURBONSA-N 452.559 2.317 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1CCN1CCCS1(=O)=O 1507523097 LNTNBPVYJMKFLW-CQSZACIVSA-N 452.378 2.201 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCCO3)n2CCCC(=O)N(C)C)c1 1507549913 BMUYWJCMKRUPAR-HXUWFJFHSA-N 452.559 2.444 30 10 JEEE C#CCN(c1nnc(C2CCC2)n1CCCS(=O)(=O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1507634443 YSGDDIJZTQBPOB-IBGZPJMESA-N 476.624 2.036 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@]1(O)CCO[C@H]1C 1507650709 QVABWGJRNPWMLN-XLNZFTOWSA-N 457.575 2.005 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(NC(C)=O)nc2)CC1 1507734787 YEZOHIGCQJJFCS-UHFFFAOYSA-N 482.548 2.184 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1507803533 GGNIYKGZKIMQER-ZNTQHIFFSA-N 497.596 2.489 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCC[C@@H]1NC(=O)NC1=O 1507821797 KQWXEQKPNPZJPY-BBWFWOEESA-N 475.594 2.439 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)c2ccccn2)CC1 1507885296 WQZYERXHNMXPGW-GOSISDBHSA-N 460.604 2.140 30 10 JEEE C=CC[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)C(=O)C1)c1ccccc1 1507924467 NUBRTDIUMKOHEP-MJGOQNOKSA-N 472.615 2.059 30 10 JEEE C=CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@H]1CC(=O)N(CCOC)C1 1507978326 JKRHVBRPOWWOPR-SFHVURJKSA-N 479.585 2.353 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1NC(=O)CC1(C)C 1508038252 HCRBVUKDOQJUIG-ROUUACIJSA-N 492.621 2.140 30 10 JEEE Cc1nc(N2CCOCC2)sc1-c1nnc(N(C)C[C@@H](C)C#N)n1C[C@H](C1CC1)N(C)C 1510424309 AGODQQTVVZAZQK-MAUKXSAKSA-N 458.636 2.483 30 10 JEEE COCC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2C[C@H](C)O[C@H](C)C2)CC1 1518656769 AYXSEOPBHJGDMP-BGYRXZFFSA-N 495.628 2.047 30 10 JEEE C#CCN(C(=O)C1CCN(S(C)(=O)=O)CC1)[C@H]1CCOc2ccc(Br)cc21 1529627638 SRIOIGZABOLCSP-KRWDZBQOSA-N 455.374 2.406 30 10 JEEE CC[C@H](C)[C@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)C(=O)N(C)[C@H](C#N)CC 1530063964 BESFZUYJJZBVTH-DEYYWGMASA-N 456.996 2.495 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCCN2CCC)c1 1539038469 PGQDQUMVYDVJCR-NRFANRHFSA-N 465.602 2.347 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@@]1(C)CN(C)C1=O 1539251365 DLIIYUAZRFBLLP-OAQYLSRUSA-N 456.344 2.267 30 10 JEEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC[C@H](C(F)F)N1CCOCC1 1539362455 BPFDLLNVXAVLBS-GOSISDBHSA-N 495.600 2.054 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](C2CC2)N(C)Cc2ccccc2)CC1 1539428614 USNDMYCPGRDTQL-QHCPKHFHSA-N 463.630 2.082 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2CCc2nccnc2C)CC1 1539475816 OTWLXUFQLUTPSO-UHFFFAOYSA-N 459.554 2.261 30 10 JEEE C=CCOc1ccc(Cn2c(Cc3ccncc3)nnc2N2CCO[C@H](CNC(C)=O)C2)cc1 1540878716 FZMPULSLFWYFST-HSZRJFAPSA-N 462.554 2.218 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C)C1 1540881131 ZDTNBTLODUVLLE-RXVVDRJESA-N 475.615 2.460 30 10 JEEE C#CCn1ccc(CN(CCOC)C(=O)[C@H]2CC(=O)N(c3ccccc3Br)C2)n1 1543691252 FEGZFTLRKXCASY-INIZCTEOSA-N 459.344 2.307 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1588074493 NNVNWUAAYQMBCA-OTWHNJEPSA-N 493.630 2.013 30 10 JEEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(NC(C)=O)nc1 1588251821 XZJAKYABDAUCAQ-UHFFFAOYSA-N 461.551 2.134 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCC2(O)CCOCC2)CC1 1588871998 UUJOMKZTTWVHRP-UHFFFAOYSA-N 453.587 2.161 30 10 JEEE C#CCSCCn1c(COc2ccccc2OC)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1589116284 GFSIOYSSEFMALG-QZTJIDSGSA-N 455.584 2.480 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccccc2C)nnc1N1CCN(CC(=O)N(C)C)CC1 1589556448 CISAIVPJYUQNMB-RCZVLFRGSA-N 466.630 2.369 30 10 JEEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1C[C@H](C)CC[C@H]1C 1595490636 VIZIRADWWNGCKS-HZPDHXFCSA-N 459.620 2.474 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cnccn1 1595658894 MIEJSQXXLUXXOV-SFHVURJKSA-N 454.556 2.220 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1595699651 GHWYPQLNMMOLHB-YLJYHZDGSA-N 461.588 2.017 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cccc(Cl)c2C)C1 1595729655 NQOQFAXRXIAORX-AZUAARDMSA-N 496.033 2.402 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCC2(CC1)OC(=O)NC21CCC1 1595805666 RZNLWTLXGWVERD-UHFFFAOYSA-N 451.593 2.079 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)nc2)s1 1626640270 KBMMKWBCLVCIIF-GJZGRUSLSA-N 450.586 2.402 30 10 JEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc(CN2CCC[C@@H](C(N)=O)C2)c1 1628755426 WDSCULYCLPCNRV-RTWAWAEBSA-N 456.587 2.307 30 10 JEEE C=CCO[C@H]1CCN(C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c2ccc(C(C)(C)C)cc2)C1 1631483411 VVGLUSYLJKNOHR-VQTJNVASSA-N 450.601 2.321 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H](C(=O)Nc2cn[nH]c2)c2ccccc2)ccc1F 1636603276 RBPHCGKAKIVGPX-IBGZPJMESA-N 457.487 2.123 30 10 JEEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)NC[C@@H](O)CO)ccc1Cl 1648279368 CWERVTLRXXAOOB-MRXNPFEDSA-N 459.351 2.458 30 10 JEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1(SC)CCOCC1 1690013281 IUUJGFIQGGCYKN-UHFFFAOYSA-N 472.640 2.223 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccccn1 1690091275 NZFHXFPBZAJDQF-JOCHJYFZSA-N 498.584 2.028 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H](C)Oc2ccccc2C)CC1 1690113628 PDZOJTGPLAJDPT-OFVILXPXSA-N 453.587 2.461 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2C[C@H](N2CCOCC2)C(F)(F)F)CC1 1690136379 CSQURZUUEBLGHO-WMZOPIPTSA-N 470.540 2.021 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2Cc2nncn2CC)CC1 1690152406 JTFALCOVLZFPPF-UHFFFAOYSA-N 476.585 2.099 30 10 JEEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1690178736 FFZNXGPLLXQUBV-OAQYLSRUSA-N 481.670 2.153 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1690227581 CCGWDVLLGOJTAY-INIZCTEOSA-N 476.335 2.373 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2CCN(CCC)CC2)CC1 1690411858 WBDDEVQGJZZPFO-OAQYLSRUSA-N 480.679 2.135 30 10 JEEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1 1690643855 ZJRLTZWLVLCEPJ-NVXWUHKLSA-N 453.609 2.496 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@@](C)(C(N)=O)C1 1690676371 XYJVXOWCGHPZLN-HXUWFJFHSA-N 467.357 2.168 30 10 JEEE C=CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1690751331 ZYFVTCRKWAQELS-UHFFFAOYSA-N 478.582 2.235 30 10 JEEE CN(C)C(=O)CCn1c(Cc2ccncc2)nnc1N1CCCN(c2ccccc2C#N)CC1 1696585718 ANZBXYIVHNRMCG-UHFFFAOYSA-N 458.570 2.331 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@](C)(O)c1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 1705567004 SCZYWFOJLJCLSJ-MONBJTKQSA-N 493.029 2.360 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1CCCN1C[C@H](C)O[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1705570792 QXPUGBIVVYGIEF-FIXSFTCYSA-N 499.681 2.303 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(Cl)cc1F)[C@H]1CCS(=O)(=O)C1 1705571990 NMLYEHUDAMMXJJ-QRFRQXIXSA-N 496.992 2.470 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCS(=O)(=O)CC1CC1 1705581547 DYBUZGVXGUVIOP-HXUWFJFHSA-N 489.642 2.290 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(S(C)(=O)=O)CCCC1 1705596271 YWOYEUFLDCEAGE-UHFFFAOYSA-N 492.605 2.012 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H]2CCCN2CCCO)CC1 1705642777 HCSCIJNAUNAUSB-NRFANRHFSA-N 473.021 2.113 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CC2CCC(F)(F)CC2)CC1 1705643309 AKIWRACZSBQKBI-UHFFFAOYSA-N 462.545 2.305 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CC(=O)N(C)Cc2ccccc2)CC1 1705647819 KRZOUPHNLFSGPH-UHFFFAOYSA-N 450.587 2.101 30 10 JEEE C#CCSCCn1c(COc2ccccc2F)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1705666072 NICOLGRMYKDURZ-HXUWFJFHSA-N 473.574 2.190 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC(N2CCCCC2=O)CC1 1705896661 UGHCVAYBSFZZCH-UHFFFAOYSA-N 482.585 2.246 30 10 JEEE CC(C)(O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1706199408 AEKISFHEXKNEHQ-UHFFFAOYSA-N 480.598 2.024 30 10 JEEE CC(C)Cc1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CCCn1cc(CO)nn1 1706427150 FZORJRQUJQPBRF-NRFANRHFSA-N 450.547 2.100 30 10 JEEE CCn1cccc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@H](C(=O)OC)C2)c1=O 1710192196 AJCNXPBRFBCPMQ-FQEVSTJZSA-N 476.537 2.348 30 10 JEEE CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN(CC)S(C)(=O)=O)C[C@@H]1C 1710277757 HABLXUUDDVBMRM-SFHVURJKSA-N 459.620 2.019 30 10 JEEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2c(C)noc2C)C1 1710345712 FPBSRWYKVFOIRD-LJQANCHMSA-N 469.571 2.182 30 10 JEEE COc1cc(Cl)ccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1CCCN1CCCO 1711681309 CEHPQUGQESGIST-MSOLQXFVSA-N 460.966 2.183 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1722433683 BACZDSKEWYXBSZ-KRWDZBQOSA-N 478.018 2.187 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCCNC(=O)C2CCC2)CC1 1722435551 JZYUDRPQYXYVMR-UHFFFAOYSA-N 466.586 2.024 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCc2nccs2)CC1 1722438224 UEMANPVRILEFQP-GOSISDBHSA-N 487.630 2.041 30 10 JEEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2CCCOC2CCOCC2)CC1 1722438853 DZCGBFZIJMAINX-UHFFFAOYSA-N 459.541 2.488 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCCN(C)c2ccccc2)CC1 1722445950 GSTLXJXZQWMEJQ-UHFFFAOYSA-N 460.586 2.171 30 10 JEEE C=C(Br)Cn1c(-c2cnccn2)nnc1N1CCC(C(=O)NCCCOC)CC1 1722481979 NOYPVBRLUPYKFR-UHFFFAOYSA-N 464.368 2.013 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1722503561 LPOMWQYUGXAGSK-ZEYPLWLESA-N 473.549 2.319 30 10 JEEE C=CC[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CO)CC1)c1ccccc1 1722596021 BBCXCPWHFHCUDZ-FGZHOGPDSA-N 489.642 2.180 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1722699015 AAHOAQGJIBLEBT-HXUWFJFHSA-N 469.977 2.235 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCN2CCCCCC2=O)C1 1722709701 WHCSRUYPPSXPDD-IBGZPJMESA-N 467.574 2.499 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCC[C@@H]1c1nncn1C 1722729705 UUTNUFZMJYMJBI-LJQANCHMSA-N 455.588 2.248 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](CC)N1CCc2ccccc2C1 1740553012 QHXYRACXTRCGCE-YUXAGFNASA-N 455.628 2.475 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1CCCc1c[nH]nc1C)[C@@H]1CCS(=O)(=O)C1 1740621701 OFXIFRQMQSWIRO-LJQANCHMSA-N 468.583 2.245 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H]1CCCO[C@@H]1C(C)C)[C@@H]1CCS(=O)(=O)C1 1740621748 OSLYQHJYHSABLY-QKNQBKEWSA-N 459.616 2.362 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1740646784 BUBGGZBLZNMAHE-IBGZPJMESA-N 477.594 2.080 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCOC[C@@H]1OC 1740657078 OQVJFWCZEVGRBP-ACRUOGEOSA-N 487.601 2.101 30 10 JEEE C#CCSCCn1c(N2CC[C@H](N3CCN(C(C)C)CC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1740722157 FBXHQMYIKJTDCS-DHLKQENFSA-N 490.718 2.290 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1C[C@H](N1CCOCC1)C(F)(F)F 1740723323 NLQYXMYDHDBZQO-HRAATJIYSA-N 477.491 2.181 30 10 JEEE C=CCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1740842815 MMTPQYJIMYJFAE-NRFANRHFSA-N 475.682 2.250 30 10 JEEE C=CCCCn1c(-c2ccc(Br)cc2Cl)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1740869338 KEHHHHNXBGSQBY-CQSZACIVSA-N 493.793 2.474 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cnccn2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1740915821 UFDNLFPBVOJXJT-LJQANCHMSA-N 483.598 2.218 30 10 JEEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1740952664 KIPZAIUSTKQWHB-KSEOMHKRSA-N 452.603 2.279 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2cccc(C(=O)NC)c2)C1 1740972811 NCURYLSIPKJCHP-RDPSFJRHSA-N 455.559 2.119 30 10 JEEE CCO[C@H](CCn1c(CN2CCCC2=O)nnc1N1CCN(c2cc(C#N)ccn2)CC1)C(C)C 1746639119 HLQOPRRMDZZVEW-OAQYLSRUSA-N 480.617 2.445 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CC12CCOCC2 1748651883 SSCRPFOWDQEQEA-MJGOQNOKSA-N 457.600 2.470 30 10 JEEE C#CCN(c1nnc(C2CCCC2)n1CCN(C)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1748816050 WFLHHICODQUUIW-SFHVURJKSA-N 465.620 2.429 30 10 JEEE C#CCN(c1nnc(CC)n1CC1(c2ccc(F)cc2)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1748817125 FSRJJFOQDSMFQJ-HXUWFJFHSA-N 460.575 2.355 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CC[C@@H](C(F)F)N2CCOCC2)CC1 1749006561 SADRMUBIMMZMQE-IBGZPJMESA-N 490.555 2.168 30 10 JEEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1CCCCC1 1749229103 GWZDJJKBYSHVJA-IBGZPJMESA-N 455.625 2.220 30 10 JEEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCOC[C@@H]2CCCO2)[C@@H](C)C1 1749877554 ULMYUKDPCCETKM-CVDCTZTESA-N 482.585 2.371 30 10 JEEE CC(C)NS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1751005523 CWRPXLNMODRGPJ-QFIPXVFZSA-N 495.609 2.041 30 10 JEEE C[C@@H]1C[C@@H](C)CN(c2nnc(-c3cccc(C#N)c3)n2CCNS(=O)(=O)Cc2ccon2)C1 1752003156 HSSMFTKEFIURDO-IAGOWNOFSA-N 469.571 2.407 30 10 JEEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1760143560 KDMMUHPMNUHQKL-IHPCNDPISA-N 457.579 2.380 30 10 JEEE C#CCCCn1c(COc2cc(C)ccc2C)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1760158583 PEUJZZMQVCPTGZ-UHFFFAOYSA-N 450.543 2.408 30 10 JEEE C#CCN(c1nnc(C2(c3ccccc3)CCC2)n1C[C@@H](F)COC)[C@@H]1CCS(=O)(=O)C1 1760180847 LZBSGWRAXZURGV-WOJBJXKFSA-N 460.575 2.359 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@]1(O)CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1760183113 MMZVQMAYEHKDEQ-YIGJPRQDSA-N 488.610 2.140 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2Cc2cc(OC)c(OC)c(OC)c2)CC1 1760273406 SJLNPBLGHNLPBV-LJQANCHMSA-N 483.569 2.170 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(C2CCCC2)CC1 1760315206 BHUXWDBHCRSORC-SBHAEUEKSA-N 480.679 2.324 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)NCC(F)(F)F 1760486814 ALSIWOGEEMHGPE-ZDUSSCGKSA-N 477.534 2.113 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC(=O)N1CCCCC1 1760501154 IAJDYOXLNYJXRK-LJQANCHMSA-N 475.615 2.411 30 10 JEEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1760523134 NDNQZSAHMFTVHS-MSOLQXFVSA-N 479.585 2.096 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCc2c(ccnc2O)C1 1760528808 NFSYNPOSLUEJHV-SFHVURJKSA-N 483.573 2.316 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC(=O)NC)CC1 1760532668 AZMASHZLWVXVIC-FQEVSTJZSA-N 487.626 2.146 30 10 JEEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN([C@@H]2C[C@H]3CC[C@H]2C3)CC1 1760559790 KTPDSSBYNCZWBO-YDZRNGNQSA-N 468.693 2.118 30 10 JEEE CCOc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1CN(CC(C)C)CCO1 1766089593 GNGMOHHNVGVJIM-SFTDATJTSA-N 484.601 2.341 30 10 JEEE CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](CN2CCCCC2)C1 1766877777 GTDRTCIGUXCLJC-HXUWFJFHSA-N 451.575 2.129 30 10 JEEE COC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCOC[C@@H]2C)CC1 1769499304 ADTJRZDTSZXXON-PKOBYXMFSA-N 454.531 2.290 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1772660324 ZMMQJVPVUCSFEY-SFHVURJKSA-N 492.005 2.389 30 10 JEEE N#Cc1nnn(Cc2ccccc2F)c1NC(=O)CCCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 1870111054 VWAGNBHHPXIVIR-UHFFFAOYSA-N 477.412 2.260 30 10 JEEE C=CCn1cc(OCC(=O)NCc2ccc(OC)cc2)c(=O)cc1CN1CCC2(CC1)OCCO2 1870648247 OMNOCEKYSUWWIV-UHFFFAOYSA-N 483.565 2.077 30 10 JEEE CCCN(CCC)C(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1ccc(OC)c(O)c1 1874434847 AKHZPEGHCKSOIF-FSJBWODESA-N 462.576 2.251 30 10 JEEE Cn1cc(C(=O)NCc2cccc(B3OC(C)(C)C(C)(C)O3)c2)c(=NC(=O)OC(C)(C)C)[nH]1 2180980302 HHZMAQDRXFBVRY-UHFFFAOYSA-N 456.352 2.418 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NC[C@@H]2COCCN(C(=O)OC(C)(C)C)C2)C1 2255189313 GWSJMPCMNQFTNX-BNGSBABLSA-N 451.564 2.293 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC(O)(CNC(=O)OC(C)(C)C)C2)s1 2255593785 DJQMGHKGQWGQSR-UHFFFAOYSA-N 452.382 2.067 30 10 JEEE CN(CCOCCNC(=O)OC(C)(C)C)C(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2255643612 BKBKCEIGPHYESF-UHFFFAOYSA-N 455.386 2.056 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@@H]2NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2255750287 HRQWFAUNRCELGR-VHDGCEQUSA-N 470.422 2.333 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCN(S(=O)(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2255751085 UWBHLFSYMIUEAZ-OAHLLOKOSA-N 452.382 2.274 30 10 JEEE CC1(C)OB(c2cncc(S(=O)(=O)NC3CC(NC(=O)OCc4ccccc4)C3)c2)OC1(C)C 2255753514 SXISFNWUCMWTTI-UHFFFAOYSA-N 487.387 2.117 30 10 JEEE CC(C)(C)OC(=O)NCC[S@](C)(=O)=NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2255886138 CIPUQVOGFGFOTH-HKBQPEDESA-N 453.370 2.144 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@H](C)[C@@H](NC(=O)C(F)(F)F)C1 2267132914 WDCWZLIQRYLNIS-JQWIXIFHSA-N 461.315 2.280 30 10 JEEE CC(C)(C)OC(=O)N1CCSC[C@@H](NC(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)C1 2267193348 DHEQTFWQKNIFFE-HNNXBMFYSA-N 463.409 2.463 30 10 JEEE C[C@H]1CC[C@H](NC(=O)C(F)(F)F)CN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2267367878 AFBCDEGZUNXMMY-RYUDHWBXSA-N 482.355 2.267 30 10 JEEE CC(C)(C)OC(=O)NCCOCCNC(=O)c1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2267411704 CJRAOKFNWBKQCD-UHFFFAOYSA-N 452.332 2.396 30 10 JEEE CN1CCN(C(=O)OC(C)(C)C)[C@H](CNC(=O)c2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2267460418 KNIDPBHWZYQGPB-OAHLLOKOSA-N 465.425 2.328 30 10 JEEE CC(C)(C)OC(=O)N=S1(=O)CC2(CN(C(=O)c3nscc3B3OC(C)(C)C(C)(C)O3)C2)C1 2267486348 LPCVQUKYJOFLGF-UHFFFAOYSA-N 483.421 2.301 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](NC(=O)c2occc2B2OC(C)(C)C(C)(C)O2)CCO1 2267490689 RUYSXNGJCOZKSW-GJZGRUSLSA-N 450.341 2.381 30 10 JEEE CC(C)(C)OC(=O)N1CC(ONS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2Cl)C1 2267705172 WCVLBDFDCHQGQY-UHFFFAOYSA-N 488.799 2.468 30 10 JEEE C[C@@H]1C[C@H](NC(=O)C(F)(F)F)CCN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2267712383 DRZHUQHWDZFODN-VXGBXAGGSA-N 482.355 2.267 30 10 JEEE C[C@@H]1C[C@H](NC(=O)C(F)(F)F)CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2267717921 LDOUWGBBAVACJD-YPMHNXCESA-N 482.355 2.125 30 10 JEEE C[C@H](c1nscc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)CN(CCO)C(=O)OC(C)(C)C 2268643487 XUGUTTPSGBALBV-CQSZACIVSA-N 469.413 2.191 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1COC[C@@H]1NC(=O)c1cccc(F)c1B1OC(C)(C)C(C)(C)O1 2281783543 MASWQVGVTRKESG-PBHICJAKSA-N 464.343 2.394 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1CN(C)CCN1C(=O)OC(C)(C)C 2281969572 ACPFNGYCPPCCBK-HNNXBMFYSA-N 480.440 2.032 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)(C2CC2)C1 2281984900 GKEIKEWILIAYKC-HSZRJFAPSA-N 460.384 2.476 30 10 JEEE CC(C)(C)OC(=O)NCC1CC(F)(CNC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2282031767 XIVQFBBIBRIKPH-UHFFFAOYSA-N 464.347 2.149 30 10 JEEE Cn1cc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C2CC2)nc1B1OC(C)(C)C(C)(C)O1 2282036880 ORKJPTFOAHMHNC-DOTOQJQBSA-N 460.384 2.237 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NCCCC(C)(C)NC(=O)OC(C)(C)C)n1 2282488607 CWEXFXUKLGOLEO-UHFFFAOYSA-N 486.444 2.081 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NC[C@@]2(C)CCCN2Cc2ccccc2)n1 2282829535 GHYCKNUFQFQOQE-HSZRJFAPSA-N 474.436 2.052 30 10 JEEE COCCN1C(=O)C(=O)C(=C(O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@H]1c1ccc(F)cc1 2296167059 QNOFEZWVCRHMIJ-LJQANCHMSA-N 462.499 2.144 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NS(=O)(=O)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2359277226 VWRJAUYYNXRGMI-YTQUADARSA-N 478.420 2.413 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@]2(C(=O)NCc3cnc(B4OC(C)(C)C(C)(C)O4)s3)CO[C@H]1C2 2359392924 XPPMIYZHMGGJPZ-AYSMAOOMSA-N 479.408 2.131 30 10 JEEE Cn1ncc(C(=O)N[C@@]2(C)CN(C(=O)OC(C)(C)C)CC2(F)F)c1B1OC(C)(C)C(C)(C)O1 2361543150 HFAJWUFOINZLEL-FQEVSTJZSA-N 470.326 2.094 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1[C@@H]2CN(C(=O)c3cc(F)c(B4OC(C)(C)C(C)(C)O4)cc3O)C[C@@H]21 2364876234 HMYMSMPSFOQMLG-UOIKSKOESA-N 462.327 2.426 30 10 JEEE CCO[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)[C@H]1N=c1ccc(B2OC(C)(C)C(C)(C)O2)c(OC)[nH]1 2365348226 NVOFITFGMMEKCY-JFIYKMOQSA-N 463.384 2.294 30 10 JEEE COc1ccc(/C(C)=N/Nc2nc3c(c(=O)[nH]c(=O)n3C)n2C[C@@H](O)COc2ccc(C)cc2)cc1 34804980 YUOHGCVCCYQKPX-GBYSFBBLSA-N 492.536 2.016 30 10 JEEE N#Cc1cc(S(=O)(=O)N2CCN(C(=O)c3ccccc3I)CC2)ccc1F 488696635 NLERSBFHUPRVOC-UHFFFAOYSA-N 499.305 2.449 30 10 JEEE CC(=O)[C@]1(O)CC[C@@H]2[C@H]3CCC4=C/C(=N/OCC(=O)N[C@H](CO)C(=O)O)CC[C@]4(C)[C@@H]3CC[C@]21C 504531020 XPPSOAUERBQGOO-ZUUULKSYSA-N 490.597 2.204 30 10 JEEE Cc1ccc(C)c(N2CCN(C(=O)C(/C=C3/C(=O)ONN3C)=NC(=O)c3ccccc3)CC2)c1 585673865 VSIDZFHQFBRENR-PCIUXKSRSA-N 461.522 2.026 30 10 JEEE COc1cc(C=NNc2nnc(SCC(=O)Nc3ccccc3C#N)n2N)cc(OC)c1OC 1084080114 PYCXIHJVHOSZLK-UHFFFAOYSA-N 482.526 2.066 30 10 JEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCCO[C@@H](CNC(=O)OC(C)(C)C)C2)c1 1141900576 YRFUVLXWWVLSFJ-SFHVURJKSA-N 450.557 2.239 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CC(=O)N(CCOC)C1 1286305825 PSTGRVIIBGTZFK-ZSYWTGECSA-N 474.606 2.002 30 10 JEEE C#CCCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1286317925 JUOWYWYOXQLQTK-UHFFFAOYSA-N 482.585 2.340 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccc(CN2CCCC2=O)cc1)[C@H]1CCS(=O)(=O)C1 1286385244 LSNZAJQHFOFYFM-NRFANRHFSA-N 483.638 2.373 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CCN(C)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1286391204 GUZCARIBHCDLDQ-HSZRJFAPSA-N 478.622 2.023 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1286458464 VJGIIIPMEWDBFD-COPMAWBXSA-N 478.528 2.477 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc2c(cc1OC)C[C@@H](C)O2 1286516250 FEKZVSIEPHPFSK-VBURHUQHSA-N 473.599 2.261 30 10 JEEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 1286683205 LWDPRXIKOUTHHS-QGZVFWFLSA-N 478.594 2.346 30 10 JEEE C=CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1286772967 SWUDHARSMIEUQM-CQSZACIVSA-N 457.526 2.497 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C)C[C@H]1c1cccc(OC)c1 1286778422 DEDCESCOUGQVHO-PXNSSMCTSA-N 452.559 2.412 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCCN(C(=O)c2ccc(Cl)cc2)CC1 1286787592 XAWPWXLZKBHFAC-UHFFFAOYSA-N 480.960 2.043 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1Cc1cc2c(cc1OC(F)F)OCO2 1286968994 CSRCYVOHGBDULT-ZDUSSCGKSA-N 462.457 2.375 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@@H](Cn2c(CN3CCCC3=O)nnc2N2CC[C@](F)(C#N)C2)C1 1287051519 CYLLHHZPLYCNHY-HXOBKFHXSA-N 475.569 2.490 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2ccccc2)CCC1 1300578057 GLEARBNISBZKFK-QFIPXVFZSA-N 481.622 2.196 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2Cc2cnn(CC)c2)CC1 1300700858 YEBXMOFUULXVGR-OAQYLSRUSA-N 482.633 2.413 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCOC(C)(C)C)CC1 1300717105 YPSLGIKWRZWFFB-DEOSSOPVSA-N 461.607 2.100 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC([C@H]2CCOC2)CC1 1301152534 ZNHVOAJLHDHORW-VQTJNVASSA-N 481.663 2.466 30 10 JEEE C=CCC(C)(C)Cn1c(N2CCN3C(=O)N(CC)C(=O)[C@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1301158975 RJRZPFQIPPMUAH-HOYKHHGWSA-N 474.606 2.394 30 10 JEEE C=CCN(c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCS(=O)(=O)CC)C1CC1 1301326657 FJMAZKRNXGXELI-QGZVFWFLSA-N 469.608 2.176 30 10 JEEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(C)CCOc1cccc(C)c1 1301496709 FUOXYTCTIVROCP-UHFFFAOYSA-N 452.515 2.132 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@H](c2noc(C)n2)C1 1301502252 DUCPXFKNOXJBLV-KRWDZBQOSA-N 457.922 2.094 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@]2(OC)CCOC2)C1 1301535948 PYYJIXKTJFBOMU-CVDCTZTESA-N 475.977 2.448 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2sc(C)nc2C)C1 1301556763 JGFQKZMDUUTCOV-DLBZAZTESA-N 451.618 2.278 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1301569490 XKEMIPOEWLTSJQ-LPHOPBHVSA-N 450.609 2.111 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1301587704 XPQJWGJFCLWDST-YKSBVNFPSA-N 474.627 2.438 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1301593997 ZTZFHTXWWXGKIN-WMZHIEFXSA-N 476.599 2.151 30 10 JEEE C=CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@H](C(=O)NC)C1 1301611497 CRSMVRLTQZVBTK-IBGZPJMESA-N 470.647 2.334 30 10 JEEE CS(=O)(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@H]2CCCCO2)C1 1302448776 FHGJHANZVLKCQI-UYAOXDASSA-N 459.572 2.311 30 10 JEEE CC(C)CCN1CCC(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)CC1 1303089475 BWIHBPNGCPUYCO-UWJYYQICSA-N 469.631 2.088 30 10 JEEE C[C@H](CC#N)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCCCS1(=O)=O 1303627164 FLFJAVDAFMIOAN-CRAIPNDOSA-N 465.601 2.054 30 10 JEEE CN(C)[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](C#N)C1)c1c(F)cccc1F 1314646950 HTEIVQZTBNJOTL-CRAIPNDOSA-N 482.495 2.235 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccc(-n3nc(C)cc3C)nc2)CC1 1359027992 CNTDZVBGEAOQJB-UHFFFAOYSA-N 489.628 2.198 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2Cc2ccc(N3CCO[C@H](C)C3)nc2)CC1 1359045663 PDCDNBDDVMKUCO-HXUWFJFHSA-N 479.629 2.111 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@]2(OC)CCOC2)CC1 1359047299 ACHHBBKXRZDVNR-DEOSSOPVSA-N 487.988 2.282 30 10 JEEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCS[C@@H](CC)C1 1359293688 XHAMLFHRNHSGBF-INIZCTEOSA-N 477.660 2.181 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCN(C(=O)c2ccco2)CC1 1359304240 RJIMFDJFFMIQAX-UHFFFAOYSA-N 478.553 2.332 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1Cc1cc(COC(C)(C)C)on1 1360677240 BGLWTWAOHDSMPG-OAHLLOKOSA-N 479.607 2.370 30 10 JEEE C#CCn1ccc(CN(CCOC)C(=O)c2cc([C@@H]3CCN(C(=O)OC(C)(C)C)C3)[nH]n2)n1 1448853421 AGYFHTOMMVVCPO-QGZVFWFLSA-N 456.547 2.253 30 10 JEEE C#CCN1CCN(C(=O)c2ccc(OC)c(S(=O)(=O)N3CCCc4ccccc43)c2)CC1 1470907726 HFUAJAZUONHHEC-UHFFFAOYSA-N 453.564 2.228 30 10 JEEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2nc3c(s2)C[C@@H](c2ccccc2)CC3)CC1 1476491200 NKAFSLQBPMEXIS-KRWDZBQOSA-N 459.597 2.033 30 10 JEEE COCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1504853933 DAAJXAOHCQWXBE-KRWDZBQOSA-N 465.524 2.468 30 10 JEEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1507605166 RFTQGSKCVMCVJU-DVECYGJZSA-N 454.575 2.057 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1CCCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1507626388 FOSGIKTUXQPKKQ-FQEVSTJZSA-N 487.626 2.075 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CCC[C@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1507634762 MIDVGMHXRXVFDH-LEWJYISDSA-N 457.600 2.240 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCc1ccc(N(C)C)cc1)[C@H]1CCS(=O)(=O)C1 1507637211 AFHCBCICYGEUQO-QHCPKHFHSA-N 495.653 2.075 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCCC(F)(F)C1 1507689932 NVXKLSVGDADMSM-IRXDYDNUSA-N 459.563 2.286 30 10 JEEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@H](C)CN2CCOCC2)CC1 1507726307 IDSWTZPHQPUSGT-HSZRJFAPSA-N 466.630 2.197 30 10 JEEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(C[S@](C)=O)cc2)CC1 1507728284 PZVQASQLSSNLIB-YTTGMZPUSA-N 468.652 2.316 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2CCNC(=O)Cc2cccc(F)c2)CC1 1507736482 PYRUFJDVGZZFCT-GOSISDBHSA-N 468.577 2.255 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)OCCOC)n1C[C@@]1(N2CCOCC2)CCSC1 1507765221 QQQMEXDPKAIVME-PTUXOGIPSA-N 463.648 2.202 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCN(CC(F)F)CC2)nnc1[C@@]1(OCC)CCOC1 1507811419 QUIOUWAXPMKLNL-ZWCUEREDSA-N 455.550 2.299 30 10 JEEE C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CCN(C)Cc2ccccc2)CC1 1507822120 UVGKSOCKENNMON-UHFFFAOYSA-N 451.619 2.344 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1507825265 VDHKERBOKPUTSB-SFHVURJKSA-N 483.598 2.322 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 1507845145 XBDTXHHZHWJMCF-KRWDZBQOSA-N 483.635 2.266 30 10 JEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(=O)c2ccccc2)CC1 1507942147 BSLOTUMGXUWOSX-SFHVURJKSA-N 460.604 2.207 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2NC(=O)CC2(C)C)C1 1508119391 WCXUPAQATUDQAG-MJGOQNOKSA-N 473.599 2.045 30 10 JEEE CC(C)(C)C(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1508461389 IDQILEHIGZFSAB-LJQANCHMSA-N 493.612 2.386 30 10 JEEE C[C@](O)(Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1)c1ccco1 1510233100 FDFIZDVSBUMWPE-GCJKJVERSA-N 455.540 2.331 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCCN1CCN(CC)CC1 1539001769 JKRJYPWMCRYREJ-HXUWFJFHSA-N 486.690 2.114 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OCC)CCOC3)n2C[C@H]2CCCO2)c1 1539039751 HBJIZMONRRKRQE-HYBUGGRVSA-N 453.543 2.165 30 10 JEEE C#CCCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(CNS(C)(=O)=O)CC1 1539067702 JCYVOWKZPLGBMB-UHFFFAOYSA-N 483.598 2.163 30 10 JEEE C#CCCCn1c(N2CC[C@@H](N3CCN(C(C)C)CC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1539141141 SKSNFOCMOXVUJT-RCZVLFRGSA-N 458.651 2.337 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1CCSc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1539216879 XWYVFISASFEPPJ-GOSISDBHSA-N 468.608 2.463 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CC[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1539229214 AIILMOZTQMPZFL-MJGOQNOKSA-N 462.547 2.050 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1C[C@H]1CC=CCO1)[C@H]1CCS(=O)(=O)C1 1539230972 RUYKCPNBNMHXNE-RBBKRZOGSA-N 470.595 2.446 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2)n1CCNS(=O)(=O)c1ccc(C)s1 1539251969 UDDCKDKFYZJTHG-UHFFFAOYSA-N 469.592 2.375 30 10 JEEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1(O)CCN(C(C)C)CC1 1539323941 MSPVGZRVFZUHBQ-UHFFFAOYSA-N 490.656 2.150 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1ccc(OC)cc1 1539557211 NANVATWGCOWNTH-XUZZJYLKSA-N 487.626 2.245 30 10 JEEE C=C(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(C(=O)NCCOC)CC1 1539705489 WRSLCPQPMIDQOW-UHFFFAOYSA-N 468.606 2.007 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1539915864 FGFRVESIYPISGT-HCXYKTFWSA-N 467.636 2.075 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1540863527 XZGHAPRLMZVRDL-FFZOFVMBSA-N 459.522 2.244 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC(N(C)C(C)=O)CC1 1540875377 JRUJRPKOTSIHNG-UHFFFAOYSA-N 460.966 2.260 30 10 JEEE CC(C)COC(=O)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ncn(C)n2)CC1 1541570463 GZHAWOSAOAVFRR-UHFFFAOYSA-N 463.546 2.298 30 10 JEEE CCCNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1547239247 FQNFZKUUGALHTQ-QFIPXVFZSA-N 476.585 2.452 30 10 JEEE C#CC1(O)CCN(C(=O)c2ccc(OC)c(S(=O)(=O)N3CCCc4ccccc43)c2)CC1 1557604035 RVSGNVJDRKTLCC-UHFFFAOYSA-N 454.548 2.437 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC)n2Cc2ccc(N3CCN(CC)CC3)nc2)c1 1587692955 NLCQMOIVEGIJHB-UHFFFAOYSA-N 486.624 2.482 30 10 JEEE C#CCCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1587765897 MQZNLOOBWPXJDM-OAQYLSRUSA-N 473.599 2.454 30 10 JEEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@]1(N(C)C)CCSC1 1587975235 SWPAFZCWSPKTER-HSZRJFAPSA-N 451.600 2.182 30 10 JEEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC1CCS(=O)(=O)CC1 1587975388 ZHRMNQYRDJQJNS-UHFFFAOYSA-N 468.583 2.130 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccc(Cl)cc2Cl)n1CC(=O)N1CCOCC1 1588161996 FMUXSBYPAUMUHT-UHFFFAOYSA-N 462.337 2.096 30 10 JEEE C#CCN(CC#CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H]1CCS(=O)(=O)C1 1588229173 RSJHRRBFXJULJM-IBGZPJMESA-N 489.642 2.290 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@](O)(c1ccccc1)C(F)(F)F 1588385559 IJYIPSXMUJJZJM-KXBFYZLASA-N 456.490 2.090 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CC[C@H](C(F)F)N1CCOCC1 1588481471 JWQQKAFWVCHSBJ-VQTJNVASSA-N 490.530 2.364 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H](c2ccsc2)N(C)C)CC1 1588864389 DHFGSSLZIWNJFI-IBGZPJMESA-N 483.667 2.389 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc(C)c2)CC1 1589068710 CZPFOEWLLVZQPN-LJQANCHMSA-N 459.641 2.182 30 10 JEEE C=C(Br)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1 1589295103 CVOXZEJKQHZMIW-LJQANCHMSA-N 481.782 2.472 30 10 JEEE C=C(C)COCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1593717029 AZKYTNNOCCZGNR-OAQYLSRUSA-N 485.585 2.383 30 10 JEEE C=C(C)COCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCOC[C@@H]1C 1593764098 XRDYBMBOQMCJGB-QFIPXVFZSA-N 454.619 2.461 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1595506997 SPKRZSVXRQVBER-LJQANCHMSA-N 464.574 2.381 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](N2CCOCC2)C(F)(F)F)C1 1595745186 QWUZSGUCTCDKKB-MOPGFXCFSA-N 483.539 2.184 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1595812717 ZUWGQEFHRKVGFK-KRWDZBQOSA-N 467.617 2.246 30 10 JEEE CCS(=O)(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCOC2)CC1 1617261106 AYXRYRBEVCCASL-GOSISDBHSA-N 459.572 2.169 30 10 JEEE CN(C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCn2cc(Cl)cn2)CC1)S(C)(=O)=O 1617788727 FERSKFBSMUTFMT-UHFFFAOYSA-N 489.005 2.227 30 10 JEEE N#C[C@H]1CN(c2nnc(COc3ccc(Cl)cc3Cl)n2CC2(O)CCOCC2)CCO1 1620356718 GNZJYPXSMYABHG-HNNXBMFYSA-N 468.341 2.434 30 10 JEEE CCOC(=O)[C@H](Cc1ccccc1)NCC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 1620477973 BRGDKZPNOCFDIX-XZOQPEGZSA-N 452.530 2.299 30 10 JEEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1689878704 SCKXZWXHDXDXLT-FCHUYYIVSA-N 487.626 2.383 30 10 JEEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1689916644 QHNIPDPQTZHBDE-GOSISDBHSA-N 468.558 2.425 30 10 JEEE C#CCN(c1nnc([C@@H]2COc3ccccc3O2)n1CCCSC)[C@H]1CCS(=O)(=O)C1 1689989606 HCFRMWHHZWFREX-LPHOPBHVSA-N 462.597 2.170 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CCC[C@@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1689993648 IXXGJESZPUBUQN-SFTDATJTSA-N 457.600 2.240 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCn2ccnc21 1690019132 BEOPEXUQNDNAHP-WOJBJXKFSA-N 479.585 2.433 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1690117363 FBGQHBSNHYPXRG-NRFANRHFSA-N 466.586 2.022 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCCN2CCC(O)CC2)CC1 1690117898 ZNIGCLXIXFDLHQ-UHFFFAOYSA-N 473.021 2.209 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2C[C@H]2CCCOC2)CC1 1690150605 NUUFEKZWYKXHKM-HXUWFJFHSA-N 451.571 2.292 30 10 JEEE C=C(C)COCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CC(=O)N(C)[C@@H](C)C1 1690309491 BKKBQZACLYZZHF-SFHVURJKSA-N 479.585 2.325 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC(S(=O)(=O)CC)CC1 1690661870 JRECJQYNZHRQML-UHFFFAOYSA-N 483.541 2.252 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](CNC(=O)c2ccccc2)C1 1690724273 LIFKEPXOYLFWDJ-FPOVZHCZSA-N 487.626 2.029 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC(=O)N(C)C[C@H]1C 1690730175 ZIVNJPWALHKMSA-GOSISDBHSA-N 489.642 2.422 30 10 JEEE CCN(CCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)[C@H](C)CC#N)S(C)(=O)=O 1695738323 GGOYIEFWHHYARD-MRXNPFEDSA-N 462.576 2.126 30 10 JEEE CCS[C@H]1CCCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1696548510 DNOONDRJQYEDOL-UGKGYDQZSA-N 475.640 2.478 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1CCS(=O)(=O)NC(C)C 1705480767 VWUDENQUTBMPPL-AWEZNQCLSA-N 454.394 2.493 30 10 JEEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1ccc(C)cc1SC)[C@H]1CCS(=O)(=O)C1 1705568327 LGQKOWVAJNHTHK-IBGZPJMESA-N 487.651 2.106 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1nc2cc(OC)ccc2n1C)[C@H]1CCS(=O)(=O)C1 1705570433 NJIYASNPPQYDAZ-KRWDZBQOSA-N 484.626 2.437 30 10 JEEE C=CCN(C)c1nnc(-c2cc(Br)cn2C)n1CCCN(C)S(=O)(=O)CC 1705836355 PVMXKEBCQPVMBP-UHFFFAOYSA-N 459.414 2.340 30 10 JEEE C=CCn1c(N2CCN(c3ncc(F)cn3)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705893961 XDYSNXGUAOTNNI-WOVMCDHWSA-N 458.542 2.491 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@H](N2CCCCC2)C1 1705898428 LMTMGAMWPSKVOL-GOSISDBHSA-N 454.575 2.329 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCN([C@H](C)c2nc(CC)no2)CC1 1705899240 MCIMGQQSRGUOOP-MRXNPFEDSA-N 468.537 2.215 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1705904438 PIAZWIDIPZHIBX-UWVAXJGDSA-N 498.584 2.442 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@H](C(C)(C)C)C1 1705936939 BZKNMYYYLKKDJS-IBGZPJMESA-N 472.615 2.369 30 10 JEEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1722318296 NPAYCVPUIGXOSW-UHFFFAOYSA-N 466.634 2.078 30 10 JEEE C#CCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1722332557 MQHDQULFMZVSIP-FQEVSTJZSA-N 459.572 2.112 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC1(N(C)C)CCCCC1)[C@H]1CCS(=O)(=O)C1 1722369380 YNEGEFOGXLEZNS-PMACEKPBSA-N 463.648 2.411 30 10 JEEE C#CCN(c1nnc(CC2CCCC2)n1CCC(=O)NCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1722372532 YRODAXQHSGEKHY-JOCHJYFZSA-N 483.638 2.344 30 10 JEEE C#CCN(CC)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1722407367 JHAHJHILUKXFHW-SFHVURJKSA-N 475.615 2.482 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)N2CCCC2)n1CCN1CCOC(C)(C)C1 1722417331 DHIIYCPCFQCNRC-UHFFFAOYSA-N 468.577 2.404 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@]2(O)CCCC2(C)C)CC1 1722440459 HHPQWELJGFKYPN-RUZDIDTESA-N 472.634 2.104 30 10 JEEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 1722542988 JXETZPBJBKBXEZ-LSDHHAIUSA-N 461.032 2.018 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(c2ccccn2)CC1 1722704414 SQTSGWROFOAJAS-IBGZPJMESA-N 496.616 2.374 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(F)(F)CNC(=O)OC(C)(C)C)C1 1722714405 MTMZHZXWMLCJIF-GJZGRUSLSA-N 470.521 2.171 30 10 JEEE C[C@H](Oc1ccccc1F)c1nnc(N(C)[C@@H](C)CC#N)n1CC1(O)CCS(=O)(=O)CC1 1723993545 DUNXQGYSPWZXLC-HOTGVXAUSA-N 465.551 2.235 30 10 JEEE CCOCc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1Cc1ccc(C)n(C)c1=O 1729066336 AQBSVMSQADYHIP-UHFFFAOYSA-N 465.533 2.207 30 10 JEEE COCCC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](c3cccc(C#N)c3)C2)CC1 1730639984 AFEYOACJUCEZDO-XLIONFOSSA-N 488.614 2.155 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCCO3)n2C[C@H]2NC(=O)CC2(C)C)c1 1740562305 IHSWEVVXNPUPEM-VQTJNVASSA-N 464.570 2.491 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2CC2(C(N)=O)CCCC2)c1 1740564402 LZBHNEQJVOPGMT-UHFFFAOYSA-N 471.565 2.366 30 10 JEEE C#CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)CCc1cnccn1 1740583733 XVRQTTDFTSOCNX-UHFFFAOYSA-N 452.588 2.429 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H](c1c(F)cccc1F)N(C)C)[C@H]1CCS(=O)(=O)C1 1740621775 PADFGTWJOBFBLX-JXFKEZNVSA-N 488.564 2.481 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCCCN1CCC)[C@@H]1CCS(=O)(=O)C1 1740625116 NYNNFYLZDPNPOT-FGZHOGPDSA-N 487.674 2.031 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1ccc(COC)cc1)[C@@H]1CCS(=O)(=O)C1 1740626089 RYOIZPITXXMSCA-JOCHJYFZSA-N 465.579 2.085 30 10 JEEE C#CCN(c1nnc(COc2ccccc2OC)n1CCc1nccs1)[C@H]1CCS(=O)(=O)C1 1740627369 GWNSERNNQIISNX-KRWDZBQOSA-N 487.607 2.192 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC(=O)NC1CCCCC1 1740630369 HVXCJHUUJRUHGH-UHFFFAOYSA-N 465.554 2.493 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCN1CCSCC1 1740645203 ISLHTTNZZDHUED-IBGZPJMESA-N 458.632 2.472 30 10 JEEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCCC[C@@H](COC)C1 1740959890 GTLQOQUFLNOCPZ-LJQANCHMSA-N 468.606 2.007 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1740963079 YIXANBPUCJBQPD-UHFFFAOYSA-N 454.531 2.225 30 10 JEEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1740964123 IOUXPLRCZROKMH-IRXDYDNUSA-N 450.584 2.246 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2CCS(=O)(=O)NC)C1 1740974610 OGKKHOSKNKHSPP-WBVHZDCISA-N 465.645 2.462 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)Cc1nccs1 1740987245 DGXNGZXASGDOSP-UHFFFAOYSA-N 481.625 2.042 30 10 JEEE CNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C(C)C)N2CCOCC2)CC1 1748196172 AMCQCNTUNXJSBI-QFIPXVFZSA-N 465.602 2.136 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1sc(C)nc1C)[C@H]1CCS(=O)(=O)C1 1748818783 GJCHWLGHWJUFLE-SFHVURJKSA-N 456.597 2.012 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@](C)(O)CCOC 1748887180 WTBMVGAJRRIZMO-SANMLTNESA-N 476.581 2.486 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(C)C)n1CC(C)(C)N1CCOCC1 1748940226 GBZKFQJESYOBHM-UHFFFAOYSA-N 456.566 2.306 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1749131446 SDRDHOXDXRUZJO-NQIIRXRSSA-N 478.619 2.098 30 10 JEEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1749217065 YRGBHCLOOGFLBK-WOJBJXKFSA-N 473.599 2.189 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](CN2CCCCC2)C1 1749230286 WKPRVZIIRPWWCS-VQTJNVASSA-N 451.637 2.085 30 10 JEEE C=C(C)COCCn1c(CCc2ccccc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1749234808 JOJJZISYFSCUDD-FQEVSTJZSA-N 452.559 2.129 30 10 JEEE C=CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@H]1CCCS(=O)(=O)C1 1749499100 QDVSDOPEJHXMGQ-NRFANRHFSA-N 472.659 2.090 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Br)nnc1N1CCC(NC(C)=O)CC1 1749729250 FMZMFADSNQKNKU-UHFFFAOYSA-N 496.431 2.413 30 10 JEEE CC[C@@H](C)[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1752550956 GZKYRSALAVJPNC-CLOONOSVSA-N 467.618 2.260 30 10 JEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1760164806 AGEWFSHZLUORHI-GOSISDBHSA-N 497.600 2.099 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1CCc1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1760184450 IOARWJKMZRJMRR-SFHVURJKSA-N 469.567 2.428 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CCN2CCOC(C)(C)C2)CC1 1760270649 UIYRZPFUJPOZQU-UHFFFAOYSA-N 482.604 2.085 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H](C)N(C)C)CC1 1760271446 YCDRCISFIJWAHJ-KRWDZBQOSA-N 458.994 2.426 30 10 JEEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(=O)c2ccccc2C)CC1 1760341578 JSJHESDWKAPLDD-KRWDZBQOSA-N 460.604 2.172 30 10 JEEE C=CCCCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)CC(=O)N1CCOCC1 1760425008 BHTHUSMCISMACR-UHFFFAOYSA-N 451.531 2.245 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(c2ccc(F)cn2)CC1 1760517549 PUODBAODKSICPR-UHFFFAOYSA-N 466.477 2.016 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1760555872 PRHZQIIVUOYUEW-UHFFFAOYSA-N 452.625 2.120 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(c2cc(F)ccc2F)CC1 1760558866 CQFRIVZDRLTIME-LJQANCHMSA-N 467.542 2.335 30 10 JEEE CC(C)CCN(CCC#N)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@]1(O)CCN(C)C1 1761076447 ASSRFGYDQGOPEF-VWLOTQADSA-N 478.601 2.025 30 10 JEEE CCCC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCOC[C@@H]2C)CC1 1765398133 GRNZVBSHOPZCBA-IBGZPJMESA-N 465.602 2.423 30 10 JEEE CNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCC[C@@H](O)C2)CC1 1767699090 GHDWKVFUUFQDES-UYAOXDASSA-N 452.559 2.242 30 10 JEEE CCOCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1767734937 ANYBNJIHROKTAP-OAQYLSRUSA-N 465.602 2.486 30 10 JEEE CN(C)[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CC(N)=O)CC1)C1CC1 1768484191 FJMPAEYYNXFAJS-OAQYLSRUSA-N 451.575 2.161 30 10 JEEE COc1ccc(CCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@H](C(C)C)N2CCOCC2)cc1 1770137017 GJCCDMSJQZCKEX-DHIUTWEWSA-N 468.602 2.157 30 10 JEEE C#CCCN(CCOC)C(=O)NC[C@H](N1CCN(C(=O)OC(C)(C)C)CC1)C(F)(F)F 1772513613 ZKUNEMIMZVKTEG-INIZCTEOSA-N 450.502 2.151 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCNC(C)=O)[C@@H]2c2ccccc2C(=O)O)cc1OC 1862573045 RZTVUDDZCVUBEV-HXUWFJFHSA-N 468.462 2.116 30 10 JEEE COC(=O)CSc1nnc([C@H]2CC(=O)N(c3ccc(OC)cc3)C2)n1/N=C/c1ccc[nH]1 1874200735 JBYICHUEMQCRQG-BMYBCIMUSA-N 454.512 2.283 30 10 JEEE Cn1nnc(CNC(=O)OC(C)(C)C)c1C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2180980702 LMMQFPPKGURNAU-UHFFFAOYSA-N 457.340 2.391 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCO[C@H]1C(=O)NCCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2180985868 UNWQJGNOFSRGMO-RBUKOAKNSA-N 460.380 2.327 30 10 JEEE Cn1nccc1[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2206619604 JJSRZCJXVLASEL-KRWDZBQOSA-N 457.340 2.319 30 10 JEEE Cc1cnc(-n2cnc3c(I)ncnc32)c(B2OC(C)(C)C(C)(C)O2)c1 2241075317 LOUUXFADCZQBEB-UHFFFAOYSA-N 463.088 2.423 30 10 JEEE CC(C)(C)OC(=O)N1CCS(=O)(=NC(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)CC1 2255545926 XVGQPHAOPXDPEH-UHFFFAOYSA-N 454.354 2.438 30 10 JEEE CC(C)(C)OC(=O)NC1[C@@H]2CN(S(=O)(=O)c3sccc3B3OC(C)(C)C(C)(C)O3)C[C@@H]12 2255749983 CCDBYZDJFXIRST-CHWSQXEVSA-N 470.422 2.191 30 10 JEEE Cc1cc(C(=O)N(C)C[C@H](O)CNC(=O)OC(C)(C)C)sc1B1OC(C)(C)C(C)(C)O1 2255873937 PJZANSCPIRXQPK-CQSZACIVSA-N 454.398 2.313 30 10 JEEE CC(C)(C)OC(=O)NCC1(O)CN(C(=O)c2c(Cl)cccc2B2OC(C)(C)C(C)(C)O2)C1 2267172959 FCVUKFCUQDQZJO-UHFFFAOYSA-N 466.771 2.351 30 10 JEEE CC(C)C[C@@](C)(CNC(=O)OC(C)(C)C)NC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2281950986 DLEYZOONQPQUFW-QFIPXVFZSA-N 465.404 2.174 30 10 JEEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)CC1 2282191203 MDFMFFMKNWMWBC-LSDHHAIUSA-N 463.388 2.070 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)[C@]2(CCOC2)C1 2282209587 USBAONUJJNSQCO-QMHKHESXSA-N 461.368 2.212 30 10 JEEE CN(C(=O)OC(C)(C)C)[C@@H]1CN(C(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)CC12CC2 2282523670 BEUGDSBGWXQTTH-MRXNPFEDSA-N 460.384 2.191 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@]23CCC[C@H]2N(C(=O)OC(C)(C)C)CC3)n1 2282552846 MZXFRWNZMIMILV-WAIKUNEKSA-N 460.384 2.381 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](NC(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)CCC[C@H]2C1 2282581219 FFZAYUHPPHTEGZ-UXLLHSPISA-N 460.384 2.474 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H](CNC(=O)OC(C)(C)C)[C@@H](C)C1 2282582226 TYYMPLJPMSVZDR-HOTGVXAUSA-N 462.400 2.435 30 10 JEEE C[C@@H]1C[C@H](CNC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CN(C(=O)OC(C)(C)C)C1 2282624113 KPWJQJSIJXJDSG-HZPDHXFCSA-N 460.384 2.399 30 10 JEEE CC1(C)OB(c2cncnc2C(=O)N2CCN(Cc3ccccc3)CC(F)(F)C2)OC1(C)C 2282669908 BKVJKYMVUCTCHR-UHFFFAOYSA-N 458.318 2.369 30 10 JEEE CC1(CCNS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CN(C(=O)OC(C)(C)C)C1 2282868091 ISGUTKDFFWSXMB-UHFFFAOYSA-N 481.424 2.306 30 10 JEEE CN(C[C@@H]1CCN1C(=O)OC(C)(C)C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(O)cc1O 2282918477 WJWGHQJNXKPWHQ-AWEZNQCLSA-N 462.352 2.478 30 10 JEEE CC(C)(C)OC(=O)N1CC=C[C@@H]1CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(O)cc1O 2282968406 VPPSPYITCVBBLJ-CQSZACIVSA-N 460.336 2.302 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2CN(C(=O)c3nccnc3B3OC(C)(C)C(C)(C)O3)C[C@@]2(C)C1 2283070076 UPLWIQXXUKZHHE-CMJOXMDJSA-N 458.368 2.105 30 10 JEEE CO[C@H]1C[C@@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)N(C(=O)OC(C)(C)C)C1 2283956856 MKAYPGJWWZPRLZ-HOCLYGCPSA-N 465.331 2.483 30 10 JEEE C=CCN(CC(=C)B1OC(C)(C)C(C)(C)O1)C(=O)[C@H]1CN(C)C(=O)CN1C(=O)OC(C)(C)C 2283982507 YGQXBCPPGDWTMD-QGZVFWFLSA-N 463.384 2.266 30 10 JEEE C[C@@H]1CN(C(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)CC2(CN(C(=O)OC(C)(C)C)C2)O1 2288586556 ROXIVDNNVKOVPE-CQSZACIVSA-N 479.408 2.293 30 10 JEEE CCOC(=O)N1CCN(c2c(C=C3SC(=S)N(CC)C3=O)c(C)c(C#N)c(=O)n2C)CC1 2314426028 HZZZLLXXOVFOCB-UHFFFAOYSA-N 475.596 2.065 30 10 JEEE C[C@@H](CCCN(C)C(=O)OC(C)(C)C)NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2337191752 CTPATYMLYLWMOL-HNNXBMFYSA-N 450.389 2.485 30 10 JEEE CC(C)(C)OC(=O)NC[C@](CF)(C(=O)O)N1C[C@H](NC(=O)C(F)(F)F)CC[C@@H]1C(F)(F)F 2351153741 ODAXVNDWBSZALK-IQMDTDKHSA-N 483.381 2.378 30 10 JEEE CC(C)(C)OC(=O)N1CC2(CC[C@H](NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)sn3)CO2)C1 2362300240 WSKMLYIZBSOMQR-AWEZNQCLSA-N 479.408 2.341 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 2362463738 ZBBVQEIUZPIFAR-HNNXBMFYSA-N 460.384 2.239 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 2362463739 ZBBVQEIUZPIFAR-OAHLLOKOSA-N 460.384 2.239 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)C(C)(C)C1 2362465425 QURKXVQUXBFSRS-HNNXBMFYSA-N 462.400 2.485 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H](NC(=O)OC(C)(C)C)C[C@@H](C)C2)n1C 2362494771 RQNJFJZBELLCHV-ZBFHGGJFSA-N 462.400 2.403 30 10 JEEE C[C@@](C#N)(NC(=O)COC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)C1CC1 11243710 JHUYUNUERHDEON-FQEVSTJZSA-N 453.948 2.092 30 10 JEEE CC(=O)Nc1cccc(NC(=O)CCSc2nnc(N/N=C/c3cccc(O)c3)n2N)c1 20915245 QOXAJGRSBANUAD-WSDLNYQXSA-N 454.516 2.223 30 10 JEEE Cc1nn(CC(C)C)c(C)c1CCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 23557857 AQHIMJMWSFARGU-UHFFFAOYSA-N 457.600 2.493 30 10 JEEE C=CCn1c(=O)c(=O)n(Cc2ccc(C(=O)N3CCC4(CC3)OCCO4)cc2)c2ccccc21 33106802 BENBDAJFEQVRMM-UHFFFAOYSA-N 461.518 2.377 30 10 JEEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1ccc2[nH]c(CN3CCOCC3)nc2c1 72035302 URRPCDITHKPJNT-UHFFFAOYSA-N 458.526 2.498 30 10 JEEE COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccncc2)cc1Cl 103103819 DWTMDQZBNOFRHG-GOBJLOIFSA-N 457.914 2.498 30 10 JEEE C[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)C1CCN(c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CC1 204863577 IAANXJKJERLOTR-MRXNPFEDSA-N 489.426 2.116 30 10 JEEE Cc1ccc(S(=O)(=O)N(C)CC(=O)OCC(=O)Nc2c(C#N)cnn2-c2ccccc2)cc1C 726995416 SLIDHBTZRCZLLB-UHFFFAOYSA-N 481.534 2.163 30 10 JEEE COc1ccc(NC(=O)CSc2nnc(NN=C(C)c3ccccc3O)n2N)cc1OC 1084593474 LDLGHPBMXLRKTK-UHFFFAOYSA-N 457.516 2.282 30 10 JEEE C#CCN(C(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1CCC)C1CC1 1129119769 LWPCQHBIUVRCIT-UHFFFAOYSA-N 458.584 2.024 30 10 JEEE Cn1nc(Br)c2c(=O)n(CC(=O)N3CCC[C@H]3[C@@H](C#N)c3ccccc3)cnc21 1136915256 APLDKWZHOAKJDV-GJZGRUSLSA-N 455.316 2.191 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1CC(=O)N1CCN(c2ccccc2)CC1 1286271658 UVAFXLHZXAUUHL-IBGZPJMESA-N 465.602 2.003 30 10 JEEE C#CCN(c1nnc(-c2cccc(Br)c2)n1CCc1cn[nH]c1)[C@@H]1CCS(=O)(=O)C1 1286385782 ZNRDWIVLOFOOPJ-GOSISDBHSA-N 489.399 2.300 30 10 JEEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1C[C@H](CC(C)C)N(C)C)[C@H]1CCS(=O)(=O)C1 1286390644 DBCRKGLGYGFOMC-VXKWHMMOSA-N 497.669 2.120 30 10 JEEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1CC1(N2CCSCC2)CCCC1 1286402318 YKLLIAOSTWBNTF-DEOSSOPVSA-N 457.644 2.365 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1ccc(S(N)(=O)=O)cc1 1286416622 QCHJMWGTANAOHJ-NHCUHLMSSA-N 469.611 2.160 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC[C@@H](OC)C(F)(F)F 1286424995 UHAIFCCZONPTEE-GOSISDBHSA-N 458.448 2.351 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCN(CCC)C1 1286466749 JLXFOZMQLQIDRW-SFTDATJTSA-N 490.649 2.404 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CC[C@H]2CCO[C@@H](C)C2)CC1 1286493393 UVKKDODWOICKOE-SFTDATJTSA-N 467.618 2.311 30 10 JEEE C#CCSCCn1c(N2CCCN(C(=O)C3CC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1286511958 GLRSWCJFVKAVSW-HSZRJFAPSA-N 461.632 2.134 30 10 JEEE C=C(C)Cn1c(N2CCN(c3ccc(C(N)=O)cc3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1286598754 BMRRDXYPLQETMF-DEOSSOPVSA-N 454.575 2.320 30 10 JEEE C=C(C)COCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC2(CC1)COC(=O)N2 1286613176 SMLUUPBUQLWIRR-UHFFFAOYSA-N 452.515 2.400 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[C@](C)(O)c2ccccc2)CC1 1286646902 XGCLICBVWJRIOJ-OFNKIYASSA-N 475.615 2.065 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCC(Nc2cccnn2)CC1 1286792325 UQBWCHQURWQPDT-UHFFFAOYSA-N 466.521 2.169 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 1286820645 ORBDRVFEQDASFX-LJQANCHMSA-N 489.646 2.013 30 10 JEEE C[C@]1(C#N)CCCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2CCS(=O)(=O)CC2)C1 1288974863 HDEUZOJWJGZWSS-JOCHJYFZSA-N 491.639 2.303 30 10 JEEE CC[C@H](C)c1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CCS(=O)(=O)N(C)C 1291562211 FHAUCMPIQOHSMH-SFHVURJKSA-N 459.620 2.271 30 10 JEEE CCS(=O)(=O)N(C)CCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCO[C@H](C#N)C1 1297731610 GAZBTKSIECBCBC-GOSISDBHSA-N 483.598 2.202 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCNC(=O)Cc1cccc(F)c1 1300307805 IRNHPFHGNPNVTP-IBGZPJMESA-N 490.587 2.408 30 10 JEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](F)[C@@H](c2ccccc2)C1 1300365155 QLCVTPCFYVFZLW-NJYVYQBISA-N 475.590 2.356 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1CC1(SC)CC1)[C@@H]1CCS(=O)(=O)C1 1300489043 IGJRRUYHVSWFRM-QGZVFWFLSA-N 476.624 2.485 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2COc3ccccc3O2)n1CC1(S(C)(=O)=O)CCC1 1300578097 HNSFUOKPCRHVJW-HXUWFJFHSA-N 454.552 2.221 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)Nc2ccccn2)n1CCN1CCOC[C@H]1C 1300642125 NPYQAUTXZPAEPX-LJQANCHMSA-N 477.544 2.425 30 10 JEEE C#CCN1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@]2(O)CCSC2)CC1 1300699858 IHWKSVWIGHTHRX-XMMPIXPASA-N 490.674 2.016 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3CC)n2CC(=O)NCc2ccco2)CC1 1300710235 XUVFOZRYNPZIOG-UHFFFAOYSA-N 462.554 2.084 30 10 JEEE C#CCSCCn1c(COc2cc(C)ccc2C)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1300770062 NDERTTURSPUWIC-UHFFFAOYSA-N 498.653 2.415 30 10 JEEE C=C(C)COCCn1c(N2CCN(C3CCOCC3)C[C@@H]2C)nnc1[C@]1(OCC)CCOC1 1301001749 MRUJQVGVGUMGDG-RDPSFJRHSA-N 463.623 2.212 30 10 JEEE C=C(Cl)Cn1c(N2CCN(c3ccc(C(N)=O)cc3)CC2)nnc1[C@@]1(OCC)CCOC1 1301060343 FEFUQQDWOKFQPX-JOCHJYFZSA-N 460.966 2.108 30 10 JEEE C=CC1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCN2CCCS2(=O)=O)CC1 1301135678 NSYDRSFRWGCCTI-KDURUIRLSA-N 494.662 2.487 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cc(C)on1 1301150831 BGDQYDKEMUDGQB-QGZVFWFLSA-N 452.581 2.146 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC[C@@H]1CCCCO1)C1CC1 1301326573 CISRXTOSZKSUMJ-OALUTQOASA-N 453.609 2.115 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC(C)(OC)C1 1301492210 AJYPCIQGRRNCER-UHFFFAOYSA-N 450.337 2.244 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCO[C@@H](c2nnc(C(C)C)o2)C1 1301506289 ILDBTNMPKGXNAY-GOSISDBHSA-N 469.521 2.395 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 1301507154 YKEJDXGSTMGDEB-HXUWFJFHSA-N 452.481 2.096 30 10 JEEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@@H]3CCCN3C[C@H]2C)cc1 1301518014 FPHMNQFZJYBWFE-HBFSDRIKSA-N 474.631 2.174 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N1CCCO[C@H](C)C1 1301568247 FKJBKNIXNDLXGT-CQSZACIVSA-N 472.409 2.262 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CC[C@](O)(c2ccc(C)cc2)C1 1301587848 AKFDMCYWVZPPHS-AUSIDOKSSA-N 460.600 2.179 30 10 JEEE C#CCN1CCN(C(=O)CN[C@H](C(=O)N2CCC(Cc3ccccc3)CC2)[C@H](C)CC)CC1 1307632425 JBVLZPCCHYKREZ-GJZUVCINSA-N 452.643 2.249 30 10 JEEE Cn1c(=O)nc(O)c2cc(S(=O)(=O)NCc3cccc(-c4ccc(C#N)s4)c3)cnc21 1309208902 DXOFYKIEMUANFC-UHFFFAOYSA-N 453.505 2.113 30 10 JEEE CCN1CCN(C[C@@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@](F)(C#N)C2)CC1 1313955069 DZFCGDBXJVLXAP-NLFFAJNJSA-N 480.592 2.444 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@](C)(O)[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1358956223 BYZIVHIIWCKKOU-KKVAFCGZSA-N 498.447 2.460 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H](C)Oc1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 1358960635 IRZGQBDHXFKURU-FUHWJXTLSA-N 486.985 2.483 30 10 JEEE C#CCN(CCOC)c1nnc(Cc2ccccc2F)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1359025476 PQQXULVPRMWNKI-RBBKRZOGSA-N 489.617 2.298 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC2([S@@](C)=O)CC2)CC1 1359040796 GSHCYMCHGDPSSB-UYCLUKJHSA-N 487.601 2.434 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCCc2cccc(C)n2)CC1 1359041609 CECORRKNOXYUPK-SANMLTNESA-N 480.613 2.232 30 10 JEEE C=C(C)COCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1359132678 BZLCZKAMMGQTEK-OAQYLSRUSA-N 491.614 2.291 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(N2CCCNC2=O)CC1 1359188171 HVBZJQSCOJRXDK-KRWDZBQOSA-N 464.636 2.167 30 10 JEEE C=CCCCn1c(Cc2cn3ccccc3n2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1359218005 USMUXZMSRDUTJH-UHFFFAOYSA-N 457.604 2.343 30 10 JEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H]1CCOc2ccccc21 1359240825 YCMOYRPRHZGGHY-FXAWDEMLSA-N 461.588 2.190 30 10 JEEE CC(C)[C@](C)(CNC(=O)OC(C)(C)C)NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1465206230 ARCRPMNQRIRPQT-NRFANRHFSA-N 452.577 2.171 30 10 JEEE C=CC[C@H](NS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)cc1)C(=O)OCC 1475186196 WMQLHWSGJNKVFU-BXWFABGCSA-N 458.602 2.139 30 10 JEEE CO[C@H]1COCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(CC#N)CC1 1504527153 BKLCZCWHDWLZAQ-MSOLQXFVSA-N 458.588 2.451 30 10 JEEE COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCCC2(C)C)CC1 1504530147 GGCZFIOXKGIQOC-XMMPIXPASA-N 452.559 2.053 30 10 JEEE COCCN(CCC#N)c1nnc(-c2cccc(Cl)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1504883169 FRPRKLZOCOFIDC-MRXNPFEDSA-N 466.995 2.246 30 10 JEEE C#CCN(c1nnc(-c2ccc(OCC)c(OC)c2)n1CCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1507627061 CIFBFSOOYYMOEB-FQEVSTJZSA-N 498.609 2.184 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCc1ccc(F)c(F)c1F)[C@H]1CCS(=O)(=O)C1 1507637503 KQRGHYXXRAMWTR-DOTOQJQBSA-N 468.501 2.416 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1CCc1nnc(C)s1)[C@H]1CCS(=O)(=O)C1 1507638480 FVCNSAKOKNAEQE-IBGZPJMESA-N 470.624 2.093 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1cnccc1OC 1507710122 JVRLELKZUKBSKS-UHFFFAOYSA-N 473.537 2.213 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@]2(O)CCCC2(C)C)CC1 1507736301 ODZSKQDPJHMQBA-UIOOFZCWSA-N 487.645 2.226 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CCCc2nnc(C)s2)CC1 1507736597 OHILBFRJDXQVCY-UHFFFAOYSA-N 450.572 2.099 30 10 JEEE C=C(Br)Cn1c(N2CCN(CCOC)[C@@H](C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1507791310 KKUKFSPIOWQYFP-FXAWDEMLSA-N 472.428 2.384 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc(C(=O)NC)cc1 1507791459 MIUWFWKUEXTFEO-RTWAWAEBSA-N 466.586 2.491 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(CCC(N)=O)CC1 1507803472 FYHSDHWIDVZVNL-GHTZIAJQSA-N 467.574 2.389 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCN2C[C@H](C)C[C@@H](C)C2)CC1 1507901975 HAQOXMXTQNNFTM-SJBKTWHCSA-N 494.706 2.381 30 10 JEEE Cc1nc(C)c(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(CC(=O)N(C)C)CC2)s1 1511491552 BPUZUYARWUHUCN-UHFFFAOYSA-N 464.599 2.149 30 10 JEEE CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CCO1 1514138425 HNZVICOTOTXTKR-FGZHOGPDSA-N 465.602 2.375 30 10 JEEE CN(C)CCOc1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CC[C@@](F)(C#N)C2)cc1 1517008505 CTEZCEWJMPIFAH-XMMPIXPASA-N 478.532 2.356 30 10 JEEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@@H](C)N2CCCCC2)CC1=O 1519227204 CQJXBMODZCLENA-HXUWFJFHSA-N 465.602 2.376 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@H](CNC(=O)COc2cccc(Br)c2C#N)C1 1535299152 AQICIGXWADGVIY-CYBMUJFWSA-N 454.321 2.452 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCN(CC(F)(F)F)C1)[C@@H]1CCS(=O)(=O)C1 1539216333 QNKFYNRXCSGWKH-QZTJIDSGSA-N 496.559 2.159 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H](F)COC 1539413232 HPIIJHGQBAEAOR-MSOLQXFVSA-N 453.559 2.463 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(OCC(=O)N(C)C)c1 1539534101 LISYYVYHVBSDQS-AREMUKBSSA-N 487.564 2.433 30 10 JEEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2ncc(F)cn2)CC1 1539612618 OOBSDHXSDIHWFL-HOCLYGCPSA-N 482.358 2.166 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)C(C)C)CC1 1539644939 PMSQINZVECOKHN-UNMCSNQZSA-N 455.607 2.426 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1540903695 FQHVSSAJVDWDMO-GOSISDBHSA-N 474.612 2.208 30 10 JEEE CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@](C)(O)c2ccco2)CC1 1547474749 CTLQIGSCXILOAJ-AREMUKBSSA-N 491.596 2.308 30 10 JEEE COC[C@@]12CCN(S(=O)(=O)c3cn(C)cn3)C[C@@H]1CN(c1ccc(C#N)c(C(F)(F)F)c1)C2 1548367348 OBHVEGKORDWHLR-JXFKEZNVSA-N 483.516 2.474 30 10 JEEE COCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(O)(C(F)(F)F)CC1 1555524095 BYOHVNZBBPEYOF-UHFFFAOYSA-N 452.481 2.289 30 10 JEEE COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCC2(CCCCC2)O1 1555557802 CXAUEXRHOWWXNH-RTBURBONSA-N 465.620 2.429 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H](OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1588028988 BMUFYAYRPHNVIB-SFTDATJTSA-N 485.610 2.199 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1Cc1cccnc1N1CCOCC1 1588079266 USOYLBDUBBEETM-UHFFFAOYSA-N 483.576 2.500 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@]1(C)CN(C)C1=O 1588258893 LMSZQDWGAJFGTB-MHECFPHRSA-N 454.575 2.291 30 10 JEEE C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1C[C@H]1CCCN1c1cnn(C)c1 1588673711 XWWMPSUFZAZULD-LJQANCHMSA-N 454.604 2.122 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2[C@@H]2C[C@H]2C)CC1 1588885835 ZUDSCMYFQFUUNF-DNVCBOLYSA-N 454.962 2.408 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCC2(OC)CCC2)CC1 1588899833 XRYCWBOTWWWDSL-UHFFFAOYSA-N 499.637 2.274 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CN(CC(C)C)CCO2)CC1 1588907985 JGMFWJGKHYACKX-XMMPIXPASA-N 489.624 2.139 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCS(=O)(=O)CC=C 1589234488 SXDWESYXDAFWAV-AREMUKBSSA-N 496.681 2.236 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(OC)cc2)nnc1N1CCSC[C@H]1C 1595824071 WIWNSPQLNMFGPK-MRXNPFEDSA-N 452.602 2.408 30 10 JEEE CC(C)N1CCC(O)(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N(C)C[C@H](C)C#N)CC1 1596798148 FCQJBIHSRHHIDZ-GOSISDBHSA-N 474.631 2.180 30 10 JEEE CCNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC=CO2)CC1 1615968434 HASMZDSCUJCANT-HXUWFJFHSA-N 451.531 2.273 30 10 JEEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCS(N)(=O)=O 1625895450 CWURPMNOLCYULH-NRFANRHFSA-N 457.552 2.265 30 10 JEEE COC(=O)c1ccc(N2CCC[C@@H](C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)C2)c(C#N)n1 1639322567 CSMXNZKKMFTPHI-MRXNPFEDSA-N 457.531 2.036 30 10 JEEE C#CC[C@H](NC(=O)c1nnn(C2CCN(C(=O)OC(C)(C)C)CC2)c1C(F)F)C(=O)OC 1642415345 QXEVVJWGXLXYNN-ZDUSSCGKSA-N 455.462 2.082 30 10 JEEE C#CCN(CC(=O)NC(c1ccc(OC)cc1)c1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1657713296 ALFWRVXESNZFEJ-FQEVSTJZSA-N 456.564 2.032 30 10 JEEE CCOC(=O)N1CCC(S(=O)(=O)N2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)CC1 1663136061 BKIIUBDCIAEADC-LJQANCHMSA-N 454.980 2.473 30 10 JEEE C#CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC(NC(=O)COC)CC1 1689887183 RSEVEWYKZUBTSY-UHFFFAOYSA-N 491.596 2.210 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1C[C@H](c1cccc(OC)c1)N(C)C)[C@H]1CCS(=O)(=O)C1 1689992277 IZAFJEFZOIPLBG-RBBKRZOGSA-N 473.643 2.415 30 10 JEEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1CCn1cc(Br)cn1 1690052833 RDCFGATUYGNXQM-UHFFFAOYSA-N 455.364 2.262 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCn1cc(Cl)cn1 1690088760 WCQBOMMASXYOLI-OAHLLOKOSA-N 479.969 2.217 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(OCC(F)(F)F)cc1 1690102573 PBFKAJLGWCXGRR-QGZVFWFLSA-N 451.449 2.305 30 10 JEEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1690164013 YMTUHERPMORPSN-SFHVURJKSA-N 488.061 2.493 30 10 JEEE C=C(Br)Cn1c(N2CCN(C(=O)NC(C)(C)C)CC2)nnc1[C@@]1(OCC)CCOC1 1690234339 ARCXPABGMMGLPN-HXUWFJFHSA-N 485.427 2.469 30 10 JEEE C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1690276290 VCOVRAJUCMVGJH-FQEVSTJZSA-N 476.379 2.437 30 10 JEEE C=C(C)COCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1690305477 AURLCRONWUSXIT-KRWDZBQOSA-N 477.587 2.032 30 10 JEEE C=C(C)COCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1690305805 IKYMRNVVMPUYOP-RUZDIDTESA-N 498.584 2.370 30 10 JEEE CC(C)(C)Cc1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1691164502 FUFWDTOLRHHISZ-DEOSSOPVSA-N 451.575 2.260 30 10 JEEE CC(C)NS(=O)(=O)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C#N)CC1 1692619935 ANVSQFZKJBKNJG-SFHVURJKSA-N 495.650 2.418 30 10 JEEE CCn1cnnc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1695793710 DYGHVNYXBGSDPA-UHFFFAOYSA-N 487.490 2.371 30 10 JEEE CCS(=O)(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCOC(C)(C)C2)CC1 1696454349 DUIMXEQKGOGROD-UHFFFAOYSA-N 486.642 2.331 30 10 JEEE C#CCCCCn1c(N2CCN([C@H](C)C(=O)N3CCCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1705522102 VRHOIDPLZZSQDI-ATIYNZHBSA-N 486.661 2.255 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CC(=O)N(C)CC)[C@H]1CCS(=O)(=O)C1 1705562202 YUMWPJDAGCNOEW-UXHICEINSA-N 487.626 2.140 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCCO[C@H]1C(C)C)[C@@H]1CCS(=O)(=O)C1 1705564375 BXWXIOIKCLIJNM-BQJUDKOJSA-N 464.632 2.250 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCc1c(F)cccc1F)[C@@H]1CCS(=O)(=O)C1 1705567800 ZWBRYFCAFRAABJ-IAGOWNOFSA-N 464.538 2.320 30 10 JEEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccccc2CN(CC)CC)CC1 1705642050 DYEQZEZBXUJHHM-UHFFFAOYSA-N 463.630 2.046 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H](NC(=O)OC(C)(C)C)C(C)C)CC1 1705643985 WSNGGLPFMJPZFH-HBMCJLEFSA-N 490.649 2.307 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2C[C@@H](C(CC)CC)N2CCOCC2)CC1 1705647197 CETIXYFKHFSJFC-QFIPXVFZSA-N 456.635 2.258 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@@H]2CCN(c3ccccc3OC)C2)CC1 1705652526 CHYACUCWQRWGJT-HXUWFJFHSA-N 480.613 2.316 30 10 JEEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1705905336 RYBWZPLZQXMTRK-UHFFFAOYSA-N 487.555 2.177 30 10 JEEE C=CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1705944696 OZUAHWQADKFRIL-GOSISDBHSA-N 451.556 2.209 30 10 JEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(C(=O)NC)cc1 1705945450 LJHWKCSQFCJLMK-GOSISDBHSA-N 463.629 2.095 30 10 JEEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1705948018 GCNSBLODKRZXEE-GCJKJVERSA-N 486.690 2.048 30 10 JEEE CCO[C@]1(c2nnc(N3CCC(CC#N)CC3)n2CCS(=O)(=O)C(C)(C)C)CCOC1 1710453133 CTEKFMJOWLFJFZ-OAQYLSRUSA-N 453.609 2.274 30 10 JEEE COc1cccc(Cl)c1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1711933497 ACUZLWLEQUOSNW-LJQANCHMSA-N 495.005 2.061 30 10 JEEE COCCN(CCC#N)c1nnc(-c2ccc(Br)s2)n1Cc1ncn(C)n1 1712452175 CIOAHQWEXNTGGJ-UHFFFAOYSA-N 451.354 2.312 30 10 JEEE C#CCCCn1c(Cc2ccccc2F)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1722334299 DTSFSJNQVQHGGJ-HXUWFJFHSA-N 475.590 2.052 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1722371151 UHXWGNFJYSMNMT-ROUUACIJSA-N 462.547 2.192 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(Br)ccc1OC 1722397510 RBFIYTXRUJYMQX-MRXNPFEDSA-N 491.411 2.463 30 10 JEEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1Cc1cccc(CS(C)(=O)=O)c1 1722401291 SBIHIJWGEPQMSY-UHFFFAOYSA-N 464.595 2.196 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCOc2ncccc2F)CC1 1722448631 WNZGOJNVIVNJJA-IBGZPJMESA-N 456.522 2.099 30 10 JEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@H](c2ccc(F)cc2)O[C@H](C)C1 1722451864 PFCKRZZOGMPCPM-GPMSIDNRSA-N 481.619 2.360 30 10 JEEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1722524159 QPMLXDWLQPOUSR-NHCUHLMSSA-N 489.665 2.379 30 10 JEEE C=C(C)COCCn1c(N2CCN(c3cc(C#N)ccn3)CC2)nnc1[C@]1(OCC)CCOC1 1722538865 YXRZWRAVGDLJQV-DEOSSOPVSA-N 467.574 2.116 30 10 JEEE C=CC[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1)c1ccccc1 1722595083 UANGXMIWGMEDSD-HSALFYBXSA-N 472.615 2.107 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)cn1 1722664259 UXCNECHVJCJHIG-IBGZPJMESA-N 492.602 2.448 30 10 JEEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(c2ncc(F)cn2)CC1 1722686251 UXEHZGHCAVIXNW-QGZVFWFLSA-N 474.541 2.028 30 10 JEEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1722691721 ZVXCLAYYKCODDG-HOTGVXAUSA-N 454.597 2.054 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)c1cc2ccccc2o1 1722698680 KEMGEYBERWUVES-WBVHZDCISA-N 457.556 2.426 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1722725662 QGHYBLYVESTQQF-INIZCTEOSA-N 450.609 2.319 30 10 JEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N(C)[C@H](C)c1ccc(F)c(F)c1 1722729966 CPVQUEHJQZBWCI-OAHLLOKOSA-N 467.542 2.477 30 10 JEEE CCOC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(C)n(C)c2=O)CC1 1728701564 DDPGUQHTCMFYFN-UHFFFAOYSA-N 491.552 2.063 30 10 JEEE C#CCCCCn1c(COc2cc(C)ccc2C)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1740577842 QSHPWOCVMBSINO-UHFFFAOYSA-N 478.597 2.205 30 10 JEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1CSCCS1 1740601578 FOLNFRVYCQALEX-HNNXBMFYSA-N 450.659 2.465 30 10 JEEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(SC)CCC1)[C@@H]1CCS(=O)(=O)C1 1740617653 UYHYGHICDCVZBH-XMSQKQJNSA-N 482.672 2.231 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccccc1OC)N1CCCC1 1740657580 SZRPKJSXLWYTED-JTHBVZDNSA-N 495.649 2.489 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1nc2c(s1)CCCC2 1740671659 LSWYOSHYUOBTEU-GOSISDBHSA-N 492.671 2.039 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H]2CCOC[C@H]2OC)CC1 1740699650 OERXLHRBYRLTCY-WIYYLYMNSA-N 459.978 2.317 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCCCN2CCCC)CC1 1740708547 TUNOBYCCQVQDMX-JOCHJYFZSA-N 483.661 2.021 30 10 JEEE C=CC1CCN(c2nnc(-c3nn(CCC)c(=O)c4ccccc34)n2CCCNS(C)(=O)=O)CC1 1740837121 HEDMMAOYMPGBGG-UHFFFAOYSA-N 499.641 2.407 30 10 JEEE C=CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1740870612 IUNCEQDJLREJFV-INIZCTEOSA-N 476.379 2.485 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1CCN(C(C)=O)CC1 1740914863 MEOYGQAXDIGAJJ-SFHVURJKSA-N 499.641 2.211 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCOC2)n1CCS(=O)(=O)N1CCSCC1 1740921025 JGZHENOKJIQRHF-IBGZPJMESA-N 495.646 2.492 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(Cc1ccccc1)C[C@@H]1CCCO1 1740950999 OZODCPMPEMUDMK-FQEVSTJZSA-N 452.559 2.002 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1740953778 QOCRKIKERUAYFG-KRWDZBQOSA-N 465.558 2.067 30 10 JEEE CCCS(=O)(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2([S@](C)=O)CC2)CC1 1745851789 HKPNQYLDSMSXQA-YTTGMZPUSA-N 490.655 2.026 30 10 JEEE C#CCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1748703266 MDMFUHPXLOOUKW-UHFFFAOYSA-N 465.558 2.401 30 10 JEEE C#CCCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1748719406 XDRIDWXNBDBIBL-JOCHJYFZSA-N 466.586 2.241 30 10 JEEE C#CCCCn1c(COc2ccccc2OC)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1748761204 QAURCQNJDOBURW-UHFFFAOYSA-N 480.613 2.414 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1748809889 XGCXOIADAOVCSG-OAQYLSRUSA-N 452.584 2.339 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1nccn1C(F)F 1748842854 VKBGZYDNLVDZFD-UHFFFAOYSA-N 462.464 2.388 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(CCOC)CC1 1748860567 YGPFLTUTEBKEBH-IBGZPJMESA-N 457.575 2.476 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCNC(=O)Cc2cccc(F)c2)CC1 1748983515 RBHWZOCFSPUQKT-UHFFFAOYSA-N 481.963 2.247 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@](C)(O)C2CC2)CC1 1749006172 JSSCGEPPKIALIK-RUZDIDTESA-N 467.570 2.089 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2Cc2ccc(NC(C)=O)nc2)CC1 1749010838 QQTCVLHHSRDFFO-UHFFFAOYSA-N 457.538 2.313 30 10 JEEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2c(F)cc(F)cc2C1 1749213892 RKYFIPDGTBEXGQ-AWEZNQCLSA-N 455.531 2.322 30 10 JEEE C=CC1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2cccc(OCC(N)=O)c2)CC1 1749330501 FHZZKHVUWKXBBQ-DEOSSOPVSA-N 455.559 2.245 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@]2(C)CN(C)C2=O)C1 1749694175 PDNFPANXLXZVFH-MBSDFSHPSA-N 472.977 2.121 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCN2CCN(C(C)=O)CC2)C1 1749715767 VHTUZWGYYKURHJ-QFIPXVFZSA-N 473.021 2.468 30 10 JEEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2ccnc(C)n2)CC1 1749765797 IEWBUVNFAWPSED-ICSRJNTNSA-N 459.620 2.346 30 10 JEEE C#CCCCn1c(COc2ccc(F)cc2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1760158101 DMHUAMZOHIUUFD-AUSIDOKSSA-N 468.577 2.398 30 10 JEEE C#CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H](C)CN1CCOCC1 1760171310 ACGQMPDMMKCSQH-PMACEKPBSA-N 460.623 2.430 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1ccc(C)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1760189289 HFGYQKAOLWICKC-NRFANRHFSA-N 465.579 2.256 30 10 JEEE C#CCN(c1nnc(COc2ccccc2CC)n1CCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1760192597 KOCSMKCOTMXATE-NRFANRHFSA-N 471.627 2.142 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)N(C)c2ccccc2)CC1 1760265044 LYTRPCVHQLIYFL-HXUWFJFHSA-N 477.613 2.005 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCc2sc(C)nc2C)CC1 1760265614 FZLSUWKKQOUODF-XMMPIXPASA-N 486.642 2.212 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CC(C)(C)O)CC1 1760267322 JBJQMWAAGTWIBO-UHFFFAOYSA-N 469.586 2.478 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1C[C@H](C)CN1CCOCC1 1760298462 IYDXGAJHGNFLEV-WZONZLPQSA-N 456.616 2.230 30 10 JEEE C=CCC(C)(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(CCOC)C(=O)C1 1760410327 APBJIWUBPAJYIQ-UHFFFAOYSA-N 489.646 2.136 30 10 JEEE C=CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1760428319 TYNMSWADYHBMNU-RBUKOAKNSA-N 489.621 2.499 30 10 JEEE C=CCCOCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCSCC1 1760448294 YTVFULBAYWISIV-UHFFFAOYSA-N 451.618 2.341 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N(C)Cc1cnn(-c2ccccc2)n1 1760552405 MLQSSNXZGPPBSD-UHFFFAOYSA-N 466.571 2.102 30 10 JEEE CC(C)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCC(O)CC2)[C@H](C)C1=O 1761120539 ARDYFIBZFLJBKO-HXUWFJFHSA-N 479.629 2.357 30 10 JEEE CCO[C@]1(c2nnc(N(C)C[C@@H](C)C#N)n2Cc2cccc(CN3CCOCC3)c2)CCOC1 1765817586 HYGKEDJOZFCEBY-NBGIEHNGSA-N 468.602 2.407 30 10 JEEE CN(C(=O)OC(C)(C)C)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)C1 1766841053 FEZHUOJVQXSLPH-FQEVSTJZSA-N 495.584 2.121 30 10 JEEE CCN(CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2cc(C#N)ccn2)CC1)C(C)C 1766910077 CPWFDPHPEWDHKY-UHFFFAOYSA-N 476.633 2.463 30 10 JEEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)N2CCC[C@H](C)C2)CCO1 1767707200 GUIJXGLLIWIEKB-RXVVDRJESA-N 465.602 2.278 30 10 JEEE CNC(=O)CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2CCN(C(C)=O)CC2)CC1 1767733337 DBCAEGGTTVBRPV-UHFFFAOYSA-N 463.586 2.428 30 10 JEEE CSc1cc(C)ccc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1771419231 GXWRQDDMRQQODM-IBGZPJMESA-N 490.655 2.430 30 10 JEEE N#Cc1ccccc1S(=O)(=O)NCCc1ccc(F)c(S(=O)(=O)NCc2ccco2)c1 1858017079 KMLDARHDWVJWJN-UHFFFAOYSA-N 463.512 2.290 30 10 JEEE Cn1c([C@@H](C#N)C(=O)CN2CCN(c3nnc(-c4cccs4)c(O)n3)CC2)nc2ccccc21 1859428179 NTRUWHXDFAOOIL-HNNXBMFYSA-N 474.550 2.191 30 10 JEEE N#Cc1c(NC(=O)CN2CCN(c3nnc(Cc4cccs4)c(O)n3)CC2)sc2c1CCC2 1859430935 KBAGQQCQRBJVDL-UHFFFAOYSA-N 481.607 2.412 30 10 JEEE C=CCNC1=C(c2ccc(Br)cc2)C(=O)N(CCc2ccc(S(N)(=O)=O)cc2)C1=O 1863557254 ZLARABSJRNJBEO-UHFFFAOYSA-N 490.379 2.195 30 10 JEEE COCCCN1C(=O)c2ccc(C(=O)Nc3c(C#N)nnn3Cc3ccc(OC)c(F)c3)cc2C1=O 1870107109 SNTOBCXHYBPORP-UHFFFAOYSA-N 492.467 2.231 30 10 JEEE COc1ccc(CCNC(=O)Cc2nonc2OCC(=O)Nc2sc3c(c2C#N)CCC3)cc1 1872649828 QFZNUZNDTGEIFS-UHFFFAOYSA-N 481.534 2.419 30 10 JEEE C=CCN(CC(=C)Br)C(=O)C[C@H]1CS(=O)(=O)CCN1C(=O)OC(C)(C)C 1965037861 FOFKXTAXOXVXPX-AWEZNQCLSA-N 451.383 2.334 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2CCO[C@]2(C(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)C1 2206614622 QZQHKHSWIZIBBK-IQMFZBJNSA-N 459.352 2.345 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@]2(C)CO)C1 2255187590 WJTNBCLHGQSQBZ-HESYMAFGSA-N 451.564 2.123 30 10 JEEE CN(C(=O)OC(C)(C)C)[C@@]1(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)s2)CCOC1 2256619306 YIQBWRJDRDUHMV-FQEVSTJZSA-N 453.370 2.407 30 10 JEEE C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc(B2OC(C)(C)C(C)(C)O2)ccc1Cl 2256620692 LJRLXJFKDSLHII-RISCZKNCSA-N 455.748 2.247 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)Nc1nc(B2OC(C)(C)C(C)(C)O2)ccc1Cl 2268648789 DNWRWCBGMDGCBK-JSGCOSHPSA-N 467.759 2.343 30 10 JEEE CN(C(=O)OC(C)(C)C)c1ccc(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)cn1 2268723748 ZPORTVNZRPWTRD-UHFFFAOYSA-N 461.353 2.278 30 10 JEEE Cc1nc(C(=O)N[C@H](CN(C)Cc2ccccc2)C(=O)O)c(B2OC(C)(C)C(C)(C)O2)s1 2269083763 AZDZFWJDUDCQFX-MRXNPFEDSA-N 459.377 2.066 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2269698272 SDEXYOHEUXOQAR-KRWDZBQOSA-N 452.332 2.017 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2C[C@H]3C[C@@H](C2)[C@@H](NC(=O)OC(C)(C)C)[C@@H]3CO)C1 2281229027 UJLFFAHPXCLTCN-NDRUZMTFSA-N 477.602 2.273 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@H](O)CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2F)C1 2281790362 JLIGVQYNTUPHCV-HOTGVXAUSA-N 464.343 2.225 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 2282004379 GHUCVLBDDMVGIQ-IYBDPMFKSA-N 462.400 2.451 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCCN(C[C@@H](C)O)C(=O)OC(C)(C)C)n1 2282045245 ZJENEJRMTWKPGB-MRXNPFEDSA-N 463.384 2.037 30 10 JEEE CCn1cc(C(=O)N[C@@]2(CF)CCN(C(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2282046083 GXHPJGPZFVWWTQ-JOCHJYFZSA-N 466.363 2.281 30 10 JEEE Cn1cc(C(=O)N[C@H]2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)nc1B1OC(C)(C)C(C)(C)O1 2282059658 LIFAMGRCXRMJQR-ZSHCYNCHSA-N 460.384 2.095 30 10 JEEE Cc1c(B2OC(C)(C)C(C)(C)O2)cccc1C(=O)N1C[C@@H](O)C[C@@H](NC(=O)OC(C)(C)C)C1 2282110886 RNKFAWMGAUVCKZ-SJORKVTESA-N 460.380 2.394 30 10 JEEE CC(C)(C)OC(=O)N1CCCC[C@@H]1CNS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282354737 VAEFKGFLIIZNSA-QGZVFWFLSA-N 481.424 2.449 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C1 2282555160 OOZVJPMKUFHNLK-JKSUJKDBSA-N 462.400 2.485 30 10 JEEE C[C@@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)C[C@H]1CCNC(=O)OC(C)(C)C 2282612651 HAUIPRNRLGQBKA-HZPDHXFCSA-N 462.400 2.342 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)CC1(F)F 2282670302 FXPVJZNWZQDSBB-CQSZACIVSA-N 468.310 2.150 30 10 JEEE COC1(CNC(=O)OC(C)(C)C)CC(C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)C1 2283978252 ZZPSCHXJSXUAKY-UHFFFAOYSA-N 481.424 2.378 30 10 JEEE C[C@H](NC(=O)[C@]1(NC(=O)OC(C)(C)C)C[C@@H](CO)C1)c1nscc1B1OC(C)(C)C(C)(C)O1 2284056896 QGNNJBJGRAFAIA-FBJOKTGGSA-N 481.424 2.285 30 10 JEEE CN[C@@H](C#Cc1cccc(Br)c1)[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 2296224035 GNTGSZSOAMTUPZ-IRXDYDNUSA-N 457.390 2.423 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1CC(F)(F)CN1C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2296416306 PXWMRVIJIQFWFO-CQSZACIVSA-N 468.310 2.150 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC(CNC(=O)OCc2ccccc2)CC1 2337195151 UZIHFUKNGKMKQK-UHFFFAOYSA-N 482.390 2.498 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H](CNC(=O)OC(C)(C)C)C(C)C)n1C 2337398898 WQZDYACEMVSWPU-OAHLLOKOSA-N 450.389 2.307 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1CC(B2OC(C)(C)C(C)(C)O2)=CCC1(C)C 2337474131 AOZGYNCUIFYATH-HNNXBMFYSA-N 451.373 2.324 30 10 JEEE CC(C)(C)OC(=O)N1[C@H]2CCO[C@H]2C[C@@H]1C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2359385267 IFDXXHWRZBXPQN-XHSDSOJGSA-N 459.352 2.486 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CN(Cc2ccccc2)CC(F)(F)C1 2362325704 IEDALLIUMMGBKA-KRWDZBQOSA-N 460.334 2.359 30 10 JEEE CC(C)(C)OC(=O)NC[C@]12CN(C(=O)c3cnsc3B3OC(C)(C)C(C)(C)O3)C[C@H]1CCO2 2362503024 LOMXGRGJKIOAIK-PEBXRYMYSA-N 479.408 2.198 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1C[C@H]2NS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2366869416 CWFLKOYMWCJNGC-QILLFSRXSA-N 479.408 2.057 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(C)[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1F 2369668346 BGSHLTNKLUWDRL-CABCVRRESA-N 466.363 2.057 30 10 JEEE CCOc1ccc(CCNC(=O)Cc2ccc(/N=C3/N[C@@H]4CS(=O)(=O)C[C@@H]4S3)cc2)cc1 9530048 QUPCSLYLOKTBHH-RTWAWAEBSA-N 473.620 2.476 30 10 JEEE CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CCOCCO)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 102554660 UPPKLPQGPSGVSC-GOBJLOIFSA-N 456.451 2.424 30 10 JEEE COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccnc2)cc1F 102750042 UNQWXHJYUQAHKQ-SADKCHQCSA-N 455.486 2.373 30 10 JEEE N#Cc1ccc(N2C(=O)C[C@@H](N3CCN(C(=O)COc4ccc(Cl)cc4)CC3)C2=O)cc1 609121721 PFSSDBOCAZPMLD-HXUWFJFHSA-N 452.898 2.067 30 10 JEEE CCCc1ccc(C(=O)C(C#N)=c2sc(=Cc3ccccc3)c(=O)n2CC(=O)N(C)C)cc1 618433442 AKKLECRQECYCQL-UHFFFAOYSA-N 459.571 2.336 30 10 JEEE C#CCN(C(=O)c1ccc(OS(=O)(=O)c2cc(C)ccc2C)cc1)[C@H]1CCS(=O)(=O)C1 729331529 QHRPAGBBDVGBEK-IBGZPJMESA-N 461.561 2.334 30 10 JEEE Cc1ccc(-n2c(=C(C#N)C(=O)NC(C)C)sc(=Cc3cnn4ccccc34)c2=O)c(C)c1 729668896 UKUGKUCAPLHBSZ-UHFFFAOYSA-N 457.559 2.191 30 10 JEEE O=C(CSc1n[nH]c(NN=Cc2cc([N+](=O)[O-])ccc2O)n1)NCc1ccc2c(c1)OCO2 1083920373 ZQMPHIUCDQYTCL-UHFFFAOYSA-N 471.455 2.002 30 10 JEEE COc1ccc(C(=O)CSc2nnc(NN=Cc3ccccc3[N+](=O)[O-])n2N)cc1OC 1084279220 RESZBOKHMBJVOB-UHFFFAOYSA-N 457.472 2.338 30 10 JEEE C#CCNC(=O)CN1CCCN(C(=O)c2cn(C(C)(C)C)nc2-c2ccc(F)cc2F)CC1 1136632656 FWIGMFSHKCDPJB-UHFFFAOYSA-N 457.525 2.481 30 10 JEEE C[C@H]1CN(C(=O)Cn2cc(NC(=O)CCCC(=O)Nc3ccccc3C#N)cn2)C[C@H](C)O1 1148578814 BZGCBAGCUPLBEA-IRXDYDNUSA-N 452.515 2.138 30 10 JEEE CC(=O)N1CCCCC[C@@H]1C1CCN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)CC1 1190863865 CAGRMNRRONTKIT-JOCHJYFZSA-N 456.591 2.006 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1286393653 LWBXZNDOVOIDAB-PZJWPPBQSA-N 458.584 2.398 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1286398750 OJPGPXADLKUDEX-NJDAHSKKSA-N 477.675 2.309 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCOC(C)C 1286467874 VRHXURPFJWISQC-SFHVURJKSA-N 451.568 2.098 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](CC)Oc2ccccc2F)CC1 1286494658 PYRBHZVNZWPYSH-HXUWFJFHSA-N 496.587 2.363 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2cccc(OC)c2)C1 1286509626 UZVBCCRXJLZNOM-UYAOXDASSA-N 476.624 2.133 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)O[C@H](CC)C1 1286671986 DKOYJJVESZOHOV-KURKYZTESA-N 455.625 2.217 30 10 JEEE C=CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1286770822 JRAJZAQMSDCDQD-MSOLQXFVSA-N 479.578 2.374 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1c(Cl)c(C(F)(F)F)nn1C 1286773801 SLIAKHCKNGMZJI-LLVKDONJSA-N 461.876 2.322 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1286792138 NBYYHSLLQQKXER-NRFANRHFSA-N 495.628 2.358 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1286794131 XQSGQDKNQYDQRQ-JPLJXNOCSA-N 492.621 2.044 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc3cccnc23)nnc1N1CCC(CC(=O)NC)CC1 1286816710 LBGAXAWKRIXAKC-UHFFFAOYSA-N 482.610 2.447 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCN([C@@H](C)c2nccs2)CC1 1286821858 CFUFAHXIPNNIMN-SFHVURJKSA-N 487.655 2.204 30 10 JEEE CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@H](C)CC#N)N1CCc2ccccc2C1 1292169860 BCTKJAJNTNNIDA-LVCYWYKZSA-N 473.647 2.464 30 10 JEEE CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1294260396 HPUIQQKIXLAXMW-UHFFFAOYSA-N 482.614 2.389 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1300482322 FCUSKJUPFZIBCF-GFCCVEGCSA-N 480.310 2.235 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1Cc1ccc(C#N)o1)[C@H]1CCS(=O)(=O)C1 1300483322 KQRAUWLEFZKNRK-KRWDZBQOSA-N 481.534 2.102 30 10 JEEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CC(=O)N(C)Cc1ccccc1 1300559018 HHTTVHSADDSGDU-SANMLTNESA-N 463.582 2.440 30 10 JEEE C#CCSCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC[C@H](C(N)=O)C1 1300763432 WDNKRSATUMZKDI-SFHVURJKSA-N 476.647 2.461 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1Cc2ccccc2O1 1300915285 MCUXOUPDWBGKHD-UYAOXDASSA-N 461.588 2.017 30 10 JEEE C=C(C)Cn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1300929007 VGNKKFRMYTYTLM-WMZOPIPTSA-N 472.977 2.411 30 10 JEEE C=CCCOCCn1c(-c2cccc(C)n2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1301248918 MAAHEOYYOJAFJD-HSZRJFAPSA-N 453.547 2.056 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1301483540 QIDLDGWTIWYZRD-GOSISDBHSA-N 458.994 2.449 30 10 JEEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1301503300 YJOOMKWOAMGMTB-KRWDZBQOSA-N 474.556 2.438 30 10 JEEE CC(=O)N1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCN/C(O)=C2/N=CC=CC2=O)[C@H](C)C1 1301723292 ZAKINFIJJSWTTC-BQHWHHKNSA-N 483.960 2.182 30 10 JEEE CC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2C[C@H](C)O[C@@H](C)C2)C1 1301817053 AAQMVWZQJJHKIJ-SFYKDHMMSA-N 465.602 2.421 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1CC(=O)NCC(F)F 1302227564 BSUQTAGFHQREEF-RNODOKPDSA-N 471.484 2.173 30 10 JEEE CC(C)C(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(C(N)=O)CCOCC2)C1 1302431073 GSKTXVQQVYGVQN-FQEVSTJZSA-N 493.612 2.087 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3csc(C)n3)n2CC2(O)CCOCC2)c1 1358902860 BQUCDPHVXCWJIQ-UHFFFAOYSA-N 480.594 2.232 30 10 JEEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CN(Cc2ccccc2)CCCO1 1358938187 SONBXILAVDMDDE-OAQYLSRUSA-N 459.554 2.286 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@@](C)(O)C(C)C)[C@H]1CCS(=O)(=O)C1 1358967220 GFFKLBJHDRZCQN-HTAPYJJXSA-N 464.563 2.030 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(SC)CCN(C)CC1 1358989244 UYYDMNGUOKUDTB-UHFFFAOYSA-N 475.626 2.211 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2noc3c2COCC3)n1CC(=O)NCC(F)F 1359016545 FVKKPTNBOKPNAU-UHFFFAOYSA-N 474.443 2.166 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC(=C)Cl)CC1 1359035710 CBGDJXZFLFQBOB-QGZVFWFLSA-N 450.971 2.094 30 10 JEEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1359057151 TYJRPZUTZLEPMZ-GOSISDBHSA-N 455.650 2.136 30 10 JEEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCC(S(=O)(=O)CC)CC1 1359059141 BSJSIOHKULMVAO-UHFFFAOYSA-N 453.659 2.404 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1359101854 SSVUYVZNMGZRAL-JCUDRXCFSA-N 458.651 2.448 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1359104596 DASWUSHPFJBHNP-VIZSFHNOSA-N 474.650 2.365 30 10 JEEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1359128866 IJYZDMIPGUWESB-MRXNPFEDSA-N 471.953 2.118 30 10 JEEE C=C(C)COCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@H](C(N)=O)C1 1359133138 MEVNBUCKAZCOAD-SFHVURJKSA-N 462.595 2.297 30 10 JEEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1359215777 JCMDFIZGCHWGMQ-HNNXBMFYSA-N 463.526 2.041 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N(C)C[C@@H]1COc2ccccc2O1 1359331641 DXPTYGPTRNRBPQ-XLIONFOSSA-N 462.572 2.397 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC2CCCCC2)CC1 1359334715 OLSWMPJKYPKSAT-UHFFFAOYSA-N 489.690 2.443 30 10 JEEE C=CCSCCn1c(N2CCC([C@H]3NC(=O)N(C)C3=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1359346785 WAXQYIPLHXVQSH-WZONZLPQSA-N 492.646 2.005 30 10 JEEE CC(=O)NCC(=O)N1CCCN(C(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)CC1 1470993182 CAJHFYMVAOQTQU-UHFFFAOYSA-N 459.978 2.015 30 10 JEEE CNC(=O)[C@@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1ccnc(-n2cccn2)c1 1503713466 DLRLNMNHWRVYIN-SFHVURJKSA-N 485.552 2.176 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2Cc2ccc(C)n(C)c2=O)CC1 1507719105 YIQHWJNQYXJIDD-UHFFFAOYSA-N 468.508 2.357 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@H]2CCCN(C(C)C)C2)CC1 1507737127 ZWXJVZXKRMKISR-FQEVSTJZSA-N 451.619 2.370 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](CC)OC)CC1 1507739525 CFCIQEXKMLGPJV-FQEVSTJZSA-N 450.543 2.120 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2C[C@](C)(O)c2ccco2)CC1 1507740537 NMMSTGUWNRGHHU-SANMLTNESA-N 477.565 2.366 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1507801411 VCQZJJUILNJEJY-DWRORGKVSA-N 460.579 2.314 30 10 JEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccccc2CN2CCCC2=O)CC1 1507897288 PAZQSARZVYPTNK-GOSISDBHSA-N 486.642 2.461 30 10 JEEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 1507954791 PMSWJRBSXPVGOZ-KRWDZBQOSA-N 460.560 2.381 30 10 JEEE C=CCCOCCn1c(N2CCN(C(=O)N3CCCCC3)CC2)nnc1[C@]1(OCC)CCOC1 1507966348 QGVBONRQNAQIDG-DEOSSOPVSA-N 476.622 2.251 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC2(CCN(C)C2=O)CC1 1508074662 RIYGWDLZNVZTFO-UHFFFAOYSA-N 472.977 2.358 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@@]2(O)CCO[C@H]2C)C1 1508118635 SNPROXKECCLUMQ-GXYVPTEVSA-N 474.558 2.292 30 10 JEEE C=CCSCCn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1508154823 DQSLGRTVERMPOY-UHFFFAOYSA-N 455.632 2.312 30 10 JEEE C=CCSCCn1c(N2CCN(C(=O)c3ccco3)CC2)nnc1[C@@]1(OCC)CCOC1 1508168860 UUKPFBBCTVPEBG-JOCHJYFZSA-N 461.588 2.405 30 10 JEEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1CCCN1C[C@H](C)O[C@@H](C)C1 1513975319 HMDYEYKIXOLPCI-BBTUJRGHSA-N 451.575 2.031 30 10 JEEE CCn1cccc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(CCOC)[C@@H](C)C2)c1=O 1515789906 GTJNGTGLXMHPKC-FQEVSTJZSA-N 491.596 2.116 30 10 JEEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCn2cc(Cl)cn2)CCO1 1518939293 CTRQPQKZLAIZPV-IBGZPJMESA-N 457.922 2.130 30 10 JEEE C[S@](=O)C1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)CCC1 1519625798 ADOKWBSZGOOOQB-JJCDCTGGSA-N 461.613 2.131 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCNC(=O)c1cc[nH]n1 1539010746 CGNQNHCSUGXBIE-IRXDYDNUSA-N 470.578 2.004 30 10 JEEE C#CCCCn1c(COc2ccccc2OCC)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1539139497 JVYMGOSIBHZHOY-NRFANRHFSA-N 480.613 2.412 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC(F)(F)F)cc1 1539368891 CVLMQTQMWUKXIJ-KRWDZBQOSA-N 487.504 2.017 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2C[C@@](C)(O)c2ccco2)CC1 1539484600 WHFIUMURULZPEN-HSZRJFAPSA-N 453.568 2.397 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2C[C@](C)(O)c2ccco2)CC1 1539484601 WHFIUMURULZPEN-QHCPKHFHSA-N 453.568 2.397 30 10 JEEE C#CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1539520219 PZYUPEDYEZXENE-UHFFFAOYSA-N 470.618 2.119 30 10 JEEE C=CC[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1)c1ccccc1 1539931919 SNFYEOPKCQOEHE-XUVXKRRUSA-N 455.559 2.136 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCS1 1540188059 ZVRXFQAXCCILAS-OALUTQOASA-N 481.644 2.335 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H](n2cncn2)C1 1540863089 OXPAIAJBJZURGM-DLBZAZTESA-N 454.510 2.292 30 10 JEEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCN(c2nc(CC)ns2)CC1 1540874617 MPRRKYDPGCOHFS-UHFFFAOYSA-N 482.614 2.208 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCC[C@@H]2CC)C1 1540893242 ZELAYAHJTWRMDA-HAGHYFMRSA-N 467.636 2.219 30 10 JEEE C#CCNS(=O)(=O)c1ccc(C(=O)NC2CCN(CCOc3ccc(F)cc3)CC2)cc1 1586671858 WAYBUONALHEPKX-UHFFFAOYSA-N 459.543 2.010 30 10 JEEE C#CCN(c1nnc(C2CCCC2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1588054912 PWYSYMUSHMYTHB-IRFCIJBXSA-N 477.675 2.450 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CC[C@@H]1CCO[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1588065317 WUAFAROFCFEONE-QKNQBKEWSA-N 457.600 2.096 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@@H](OC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1588069454 OHNAWYGQGUVQLN-TZIWHRDSSA-N 460.600 2.463 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@@H](OC)C(C)C)[C@H]1CCS(=O)(=O)C1 1588070091 WKQUUONTNHNSJP-FXAWDEMLSA-N 464.563 2.294 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2COc3ccccc3O2)n1CC1(O)CCN(C(C)C)CC1 1588233229 DRINAJIOESFOOA-HSZRJFAPSA-N 463.582 2.489 30 10 JEEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(NC(=O)N(C)C)cc1 1588672364 DEASSJZCZZBKNL-UHFFFAOYSA-N 464.574 2.368 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCCCN2CCCC[C@H]2C)CC1 1588876427 ABJHIPZOCCPSIL-VJBWXMMDSA-N 458.651 2.412 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2Cc2ccc(C)cc2F)CC1 1588890943 JADQCOKWTKXVHO-SFHVURJKSA-N 457.550 2.464 30 10 JEEE C#CCSCCn1c(CC2CC2)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1589097012 KCOUCCQYZVZPOQ-UHFFFAOYSA-N 463.604 2.247 30 10 JEEE C=C(Cl)Cn1c([C@H](C)OCCOC)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1593817335 AEWJATJNOSRFSW-HOTGVXAUSA-N 459.975 2.485 30 10 JEEE C=CC1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2C[C@@](C)(O)CCOC)CC1 1594229210 JIWAHHXLANBKAF-QFIPXVFZSA-N 462.620 2.428 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1595507179 YQXKTPQDPWUSAP-ZDUSSCGKSA-N 487.413 2.024 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1595536710 GBCTYKVOXTZTDK-AEFFLSMTSA-N 452.515 2.142 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F 1595577277 NQRGHLDABYHFQQ-UHFFFAOYSA-N 488.474 2.420 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCC(C(=O)NC)CC1 1595595416 UJZJPTHWKPIVAN-UHFFFAOYSA-N 463.007 2.488 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@H]2CCCN2CC)C1 1595688874 QIDBLKJQVUVWDM-RTWAWAEBSA-N 488.658 2.461 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1595799294 YNOTVXDQORPKSK-UHFFFAOYSA-N 473.599 2.205 30 10 JEEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 1595845635 XRRFISCHPBIDAE-KRWDZBQOSA-N 484.692 2.179 30 10 JEEE CCc1cnc(CN(C)c2nnc(-c3cccc(C#N)c3)n2CCNS(=O)(=O)CC)s1 1613839094 FXELVYYEDSFNRN-UHFFFAOYSA-N 459.601 2.411 30 10 JEEE N#CCCN(CCC#N)C(=O)Cn1cnc2c(cnn2-c2cccc(Br)c2)c1=O 1614767395 BINYMUXIULBZJG-UHFFFAOYSA-N 454.288 2.001 30 10 JEEE CCN1CCN([C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@H](C)[C@H](C)S(C)(=O)=O)CC1 1615836870 AAKVEWJGUZWOQU-AQNXPRMDSA-N 487.674 2.101 30 10 JEEE CCO[C@]1(c2nnc(N3CCN(Cc4ccc(C#N)cc4)CC3)n2C[C@H](C)N(C)C)CCOC1 1616257335 HCGVCOAZLFWCLY-NBGIEHNGSA-N 467.618 2.074 30 10 JEEE CN(C)C(=O)c1cccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(CC#N)CC2)c1 1617569774 ABJVPLBLLHOYHI-FQEVSTJZSA-N 470.599 2.060 30 10 JEEE N#C[C@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCn2cc(Cl)cn2)CCO1 1620354376 CRVLYPLOIHUYQG-KRWDZBQOSA-N 475.340 2.140 30 10 JEEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCC(=O)Nc1ncccc1C 1629370835 GMYOEMFMCCEBSN-QGZVFWFLSA-N 457.556 2.132 30 10 JEEE C#CCN(CC(=O)N(CCC)c1c(O)nc(=O)n(Cc2ccccc2)c1N)Cc1ccccc1 1658572288 RDIIAMIBCMNVDO-UHFFFAOYSA-N 459.550 2.458 30 10 JEEE C=CCOC[C@H](NS(=O)(=O)c1ccc(Br)cc1Br)C(=O)OC 1661654712 TZONNSQKBKERKT-NSHDSACASA-N 457.140 2.234 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCCO3)n2C[C@@H](C)N2CCOCC2)c1 1689872177 QNWGTCHTRIQUCY-DENIHFKCSA-N 466.586 2.297 30 10 JEEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 1689873270 CMOHIIGVONEKLV-JOCHJYFZSA-N 450.587 2.173 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H](C(C)C)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1689991679 BBGDQPLQSSELLE-YADHBBJMSA-N 470.643 2.011 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cnccc1OC 1690043371 YWJCRONPNJLTGS-UHFFFAOYSA-N 463.567 2.153 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CC12CCOCC2 1690096708 YZMCRMZUIXKEAQ-HXUWFJFHSA-N 487.626 2.098 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCc2cc(C)ccc2OC)CC1 1690113533 MHYPBWCEANEOGN-RUZDIDTESA-N 453.587 2.245 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](C)Oc2ccc(Cl)cc2)CC1 1690124975 XXOPTSUDEREPIQ-MSOLQXFVSA-N 478.018 2.056 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1OCCN(C)C 1690206756 YZLXOISHTVAZDB-GBXCKJPGSA-N 471.627 2.161 30 10 JEEE C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C)C(C)(C)C1 1690228704 CYKIHAMCTWXSBA-UKRRQHHQSA-N 476.441 2.392 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC(=O)N(C)[C@@H](C)C1 1690675989 LWTLUVFEZAQIOG-ZDUSSCGKSA-N 467.357 2.133 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC[C@H](CN3CCCCCC3)C2)nnc1[C@]1(OCC)CCOC1 1690677059 LXOLTSXQDYTUNL-BWKNWUBXSA-N 474.650 2.325 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC(F)(F)C1 1690726539 CXUUQGNEGMIDNR-UHFFFAOYSA-N 494.612 2.089 30 10 JEEE C[C@@H]1OCC[C@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1693870625 FIPUDWQLLVTJHJ-WVCKHHOPSA-N 468.558 2.460 30 10 JEEE C#CCCCCn1c(-c2cc(Br)cn2C)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1705511565 XWKXLFPDCLAUFL-UHFFFAOYSA-N 488.390 2.370 30 10 JEEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1C[C@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1705568761 UVSODUZTWZIYMO-DOTOQJQBSA-N 452.964 2.172 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2cccnc2)n1Cc1ccccc1CN1CCC[C@H]1CO 1705584327 GOHQFWKOAXSQGC-VWLOTQADSA-N 454.578 2.342 30 10 JEEE C#CCN(CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1(OCCOC)CCOCC1 1705609689 NCKNTUHCEKQWII-UHFFFAOYSA-N 456.543 2.388 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc3c(c2)[C@H](C)[C@@H](C)O3)CC1 1705644508 SQJKSLUJTUKJHY-QZTJIDSGSA-N 478.597 2.315 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2Cc2cnn(CCOC)c2)CC1 1705650783 ZGMMARVZEPWKFP-UHFFFAOYSA-N 497.550 2.004 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)c(OC)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1705671562 OQXLSWAZIQAESM-XTAOWTACSA-N 476.537 2.481 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)CC(=O)NC(C)(C)C 1705697422 VBUGQWGQSKXKBC-RXVVDRJESA-N 479.589 2.253 30 10 JEEE C=CC1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCC[C@@H]2N2CCCS2(=O)=O)CC1 1705775730 KOWRDCMYFCBLJV-MOPGFXCFSA-N 464.636 2.023 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cnn(CC(C)C)c2C)CC1 1705782480 XTEMIXNRFHCHSW-OAQYLSRUSA-N 491.662 2.223 30 10 JEEE C=CCCCn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1705810850 JLHBEQIZAPEGCB-WIYYLYMNSA-N 459.639 2.152 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@]1(C)COCCO1 1705863551 XDEDIESCSATYKY-HRAATJIYSA-N 467.567 2.026 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC=C(Br)C1 1705900500 GDLQBJWCRDJDPR-UHFFFAOYSA-N 498.385 2.466 30 10 JEEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCN([C@H](C)c2nc(CC)no2)CC1 1705907595 RCVGHIGNMWENFW-QGZVFWFLSA-N 456.595 2.142 30 10 JEEE CCCN1CCC(N(C)c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1709776186 AAKUUTDRNBRCCV-HXUWFJFHSA-N 485.658 2.409 30 10 JEEE CNC(=O)[C@@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C(C)C)N2CCOCC2)C1 1711317301 AUWOQOTYUSTLIQ-OFVILXPXSA-N 465.602 2.136 30 10 JEEE COCC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)N2CCCCC2)CC1 1712106567 ACEREWRIYIDAMI-UHFFFAOYSA-N 495.628 2.288 30 10 JEEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@H](C(C)C)N1CCOCC1 1722346534 SECSRWIYNJKKEU-IBGZPJMESA-N 457.575 2.397 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CCCc1nc(C)no1)[C@@H]1CCS(=O)(=O)C1 1722358813 GFFSSVCKFUWTNF-HXUWFJFHSA-N 468.583 2.458 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](c1ccco1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1722359012 HWTBGVQOXCWCIW-RTWAWAEBSA-N 478.578 2.339 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCc1cnn(C)n1 1722387191 ACANPJFSNPEBQK-IBGZPJMESA-N 452.563 2.184 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCS(=O)(=O)C1 1722422957 SVWLNRFBPALEKU-FQEVSTJZSA-N 470.574 2.353 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2CCC2(OC)CCC2)CC1 1722449408 JBRMNHULGMEKQE-UHFFFAOYSA-N 484.626 2.195 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2CCCSC2)CC1 1722450202 YZCKWEIFROCZFA-IBGZPJMESA-N 455.632 2.249 30 10 JEEE C#CCSCCn1c(COc2cccc(C)c2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1722464924 BQMPKPJZYLTAEJ-UHFFFAOYSA-N 484.626 2.106 30 10 JEEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CC[C@H](C(=O)N(C)c2ccccc2)C1 1722527560 NUBWHGJZYAUBJQ-IBGZPJMESA-N 454.575 2.498 30 10 JEEE C=C(C)COCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCS(=O)(=O)CC1 1722530795 YOMZINLMRNORBQ-UHFFFAOYSA-N 450.561 2.180 30 10 JEEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 1722601126 VIRYGURLKPMVGE-FQEVSTJZSA-N 451.575 2.346 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CC[C@@H](C3CCOCC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1722732049 UCESRPKAJQHKCK-OFNKIYASSA-N 482.647 2.172 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1722751286 RYFARHZHAOBCKI-FDDCHVKYSA-N 460.600 2.493 30 10 JEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cnn(-c2ccccc2)n1 1740573341 BFQVRZFKCATFDC-SFHVURJKSA-N 453.572 2.201 30 10 JEEE C#CCCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCN(CC(=O)NCCOC)CC1 1740583778 ZIUMSWXFJHKEGA-UHFFFAOYSA-N 475.597 2.100 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@](C)(O)c1cccs1)[C@H]1CCS(=O)(=O)C1 1740619942 RQLKROOMQKQTOM-KKSFZXQISA-N 460.581 2.442 30 10 JEEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1C[C@H]1CC=CCO1)[C@@H]1CCS(=O)(=O)C1 1740627998 MEKJDWIHSVAOLJ-UYAOXDASSA-N 476.986 2.482 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCc1c[nH]nc1C 1740640372 LWTGSOJCBXNIFU-HXUWFJFHSA-N 467.574 2.324 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccc(C)c(C)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1740644165 VQGUEDZKRFLHNI-WCWDXBQESA-N 458.522 2.073 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCCOC(F)F)CC1 1740701131 VPXHMEOLKKXPLS-CALCHBBNSA-N 468.549 2.433 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2Cc2cnn(CC(C)C)c2C)CC1 1740706947 JKLQKJYYGPZCGS-UHFFFAOYSA-N 474.613 2.439 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1740957725 YPTJBCAPGVWVOE-UHFFFAOYSA-N 456.554 2.226 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC(CC(=O)N(C)C)CC1 1740963586 PHUHSBKNIYVRKY-UHFFFAOYSA-N 468.602 2.471 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1740964526 DOJICHDTDBBVTO-XMMPIXPASA-N 470.643 2.482 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1740987234 CUFGSZKTYQACPR-IRXDYDNUSA-N 462.576 2.373 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC(C#N)CC1 1740990402 TZLCNCLMVWKMSW-UHFFFAOYSA-N 451.556 2.472 30 10 JEEE Cc1ccc(OCc2nnc(N(C)C[C@@H](C)C#N)n2CCS(=O)(=O)N2CCSCC2)cc1C 1742262942 ARQNOALMPMIQGN-KRWDZBQOSA-N 492.671 2.448 30 10 JEEE CNC(=O)CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1748269275 GZNTVSCMLZEGKO-DLBZAZTESA-N 493.547 2.070 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2C[C@@H]2CCCS2)c1 1748694695 LIVFLCIHBXGMMA-IBGZPJMESA-N 452.584 2.352 30 10 JEEE C#CCN(c1nnc(-c2cccc3cccnc23)n1CC(C)(C)C(=O)NCC)[C@@H]1CCS(=O)(=O)C1 1748810242 UUYKOZZVKAIGIY-LJQANCHMSA-N 494.621 2.282 30 10 JEEE C#CCN(c1nnc(COc2ccccc2OC)n1C[C@@H]1CCC[C@@H]1OC)[C@H]1CCS(=O)(=O)C1 1748825268 XDBNITAZBQRFTR-UFYCRDLUSA-N 488.610 2.308 30 10 JEEE C#CCN(CC)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1748917358 VZGOUXRWIULGDJ-HNNXBMFYSA-N 496.431 2.457 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCS(=O)(=O)C(C)(C)C 1748922821 NCVFOGOWNZCDBV-UHFFFAOYSA-N 470.599 2.348 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@](O)(c2ccccc2)C(F)(F)F)CC1 1748977782 CUJFMXSENPCWHM-DHIUTWEWSA-N 493.530 2.136 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@](O)(c2ccccc2)C(F)(F)F)CC1 1748977785 CUJFMXSENPCWHM-XZOQPEGZSA-N 493.530 2.136 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2CC2(N(C)C)CCOCC2)CC1 1749019552 YUCMAFHRINXZGD-UHFFFAOYSA-N 498.603 2.073 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)CCc1nccs1 1749119090 NCQUXBYBAVXVLQ-ZOBUZTSGSA-N 454.622 2.005 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H]1COc2ccccc2O1 1749229284 IRBFHKUTQBQPIT-QZTJIDSGSA-N 462.572 2.049 30 10 JEEE C=C(Cl)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN([C@H](C)C(=O)NCCCOC)CC1 1749256817 CVFDWSVGCJGICR-GOSISDBHSA-N 471.993 2.232 30 10 JEEE C=CCOc1ccc(Cn2c([C@H]3CCCCO3)nnc2N2CCN(CCOC)C(=O)C2)cc1 1749684174 RWAKOHIRQKXZIX-OAQYLSRUSA-N 455.559 2.428 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 1749731359 CBUGEJCDAHOZKR-FQEVSTJZSA-N 489.646 2.361 30 10 JEEE N#Cc1ccc(-c2nnc(N3CCC(C(N)=O)CC3)n2CCNc2nccc(C(F)(F)F)n2)cc1 1750382108 AFURXUATWZXOSR-UHFFFAOYSA-N 485.474 2.439 30 10 JEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@@H](c1c(F)cccc1F)N(C)C 1760221977 RSVSNIRLRZBVRX-FQEVSTJZSA-N 454.525 2.445 30 10 JEEE C#CCN(CC)c1nnc(-c2ccc(OC)c(Br)c2)n1CCNC(=O)c1cc[nH]n1 1760230331 ZWTBVKQYSAPVQL-UHFFFAOYSA-N 472.347 2.329 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CCCc2nc(C)no2)CC1 1760258517 NFPFUDZAYVCOJB-UHFFFAOYSA-N 465.558 2.432 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC2=CCCOC2)CC1 1760267135 GQHCZKQWZQEOEP-UHFFFAOYSA-N 465.554 2.275 30 10 JEEE C=CCCOCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(S(C)(=O)=O)CC1 1760451945 YYGPORCWECYGAX-FQEVSTJZSA-N 462.572 2.397 30 10 JEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)O[C@H](c2ccsc2)C1 1760557325 HUXAOBAMVKFJIS-AEFFLSMTSA-N 479.628 2.029 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H](CNC(C)=O)C1 1760558510 QRPPEQUBLVVEBQ-VAMGGRTRSA-N 481.663 2.150 30 10 JEEE CNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1ncnn1CC(F)F 1767543752 HOZGJPDFVBAUHT-UHFFFAOYSA-N 457.489 2.082 30 10 JEEE C=CCN(CC=C)C(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2ccc3c(c2)OCO3)cc1 1858982940 ARKNPHLNXQILIX-UHFFFAOYSA-N 471.535 2.460 30 10 JEEE O=C(C1=C(O)C(=O)N(CCCO)[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccc2c(c1)OCCO2 1862615634 NYFXBOXUJCTHFQ-OAQYLSRUSA-N 498.444 2.098 30 10 JEEE C=CCOc1cn(CCCN2CCCC2=O)c(CN2CCN(c3ccccn3)CC2)cc1=O 1870384605 YIOFAJZHPULYBK-UHFFFAOYSA-N 451.571 2.143 30 10 JEEE C=CCn1cc(OCc2cc([N+](=O)[O-])cc3c2OCOC3)c(=O)cc1CN(CCOC)CCOC 1870590232 SFIPGOGWUHCBIN-UHFFFAOYSA-N 489.525 2.483 30 10 JEEE COc1cccc2c1OC[C@@H](C(=O)N1CCC(OCC#CCN3CCN(C(C)C)CC3)CC1)C2 1889499649 ZLDVTYWICCKCRP-QHCPKHFHSA-N 469.626 2.283 30 10 JEEE COc1ccc(N2C[C@@H](C(=O)N3CCC(Oc4ncccc4C#N)CC3)CC2=O)cc1OC 1891365520 ZJEIOVXSZQNJTE-KRWDZBQOSA-N 450.495 2.393 30 10 JEEE CN(C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(C(C)(C)C)cc1)C1CN(c2nccnc2C#N)C1 1891961932 USWTZHWNRFBZBV-NRFANRHFSA-N 482.610 2.146 30 10 JEEE CC[C@H](C#N)C(=O)Nc1c(I)nc(C)nc1I 2008827039 NUCUTXIGNPHZRK-ZCFIWIBFSA-N 456.025 2.483 30 10 JEEE CSCC[C@@H](NS(=O)(=O)C=Cc1ccccc1)C(=O)ON1C(=O)c2ccccc2C1=O 2059571286 XAWDCNUWNSREHO-GOSISDBHSA-N 460.533 2.453 30 10 JEEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)c1c(Br)cnn1C 2174707917 LWEITGPQNGRFRS-UHFFFAOYSA-N 461.382 2.206 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCOCC[C@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2180966780 REBFGUDOENMKII-HZPDHXFCSA-N 462.356 2.034 30 10 JEEE CN(C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1)[C@H]1CC[C@@H]1NC(=O)OCc1ccccc1 2255820994 XLKQBISTODRJHY-HKUYNNGSSA-N 468.363 2.249 30 10 JEEE CC(C)=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2256614977 QWXNNUVHWCTGCH-ZDUSSCGKSA-N 452.386 2.447 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(CNC(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)s1 2256622560 IZQHGKDNRLWXKM-CQSZACIVSA-N 454.398 2.248 30 10 JEEE CC(C)(C)OC(=O)NCC1(NC(=O)c2c(F)cccc2B2OC(C)(C)C(C)(C)O2)COC1 2267246990 VRVQOHHVRZQRNV-UHFFFAOYSA-N 450.316 2.148 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1CC[C@H]1NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2267471086 DVGDFYYVGQYIHL-ZIAGYGMSSA-N 487.453 2.165 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2[C@H]1NC(=O)c1ccsc1B1OC(C)(C)C(C)(C)O1 2267476757 CGPUWTLDURJWAL-UKMLZYKCSA-N 464.393 2.458 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H]1NS(=O)(=O)Cc1ccccc1B1OC(C)(C)C(C)(C)O1 2267710055 MYYRJJANBBZLOL-QZTJIDSGSA-N 466.409 2.461 30 10 JEEE C[C@@H](NC(=O)CN(C)CCNC(=O)OC(C)(C)C)c1nscc1B1OC(C)(C)C(C)(C)O1 2268723570 WNEFHCMESBTDEY-CQSZACIVSA-N 468.429 2.076 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H]1CNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2271977489 XVAJKTOPJUCHNQ-KGLIPLIRSA-N 487.453 2.165 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@H](C(=O)N3CCC[C@H](B4OC(C)(C)C(C)(C)O4)C3)O[C@@H]2C1 2279909629 TWJUVQQGEKSBLV-WNRNVDISSA-N 466.384 2.475 30 10 JEEE CN(C[C@@H](O)CN(C)C(=O)c1ccc(F)cc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2281784648 AWZMBZDDAIUEHF-INIZCTEOSA-N 466.359 2.425 30 10 JEEE CC(C)(C)OC(=O)N1C[C@]2(C)CN(C(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)C[C@]2(C)C1 2281992264 LYYVBYLSIGFYAX-ZRZAMGCNSA-N 460.384 2.428 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1[C@H](C)CN(C(=O)OC(C)(C)C)C[C@H]1C 2282003905 FVYHJXVIFKTHFQ-HUUCEWRRSA-N 462.400 2.498 30 10 JEEE 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]1C 2282004307 IRZXVAXOEDDUTQ-GDBMZVCRSA-N 462.400 2.403 30 10 JEEE C[C@H]1C[C@@H](NC(=O)C(F)(F)F)CN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2282042272 BOERFZSDGHXOLS-WCQYABFASA-N 459.249 2.049 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC(C)(CNC(=O)OC(C)(C)C)CC1 2282045421 WLSVQUIVRIVPOA-UHFFFAOYSA-N 462.400 2.486 30 10 JEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CCN(CCNC(=O)OC(C)(C)C)CC1 2282059859 OHVXPQFHLBUGHE-UHFFFAOYSA-N 463.384 2.170 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)N1C[C@@H](O)C[C@@H]1CNC(=O)OC(C)(C)C 2282150467 UAJYNYLSINFASV-MSOLQXFVSA-N 460.380 2.394 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](O)CN(C(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2F)C1 2282399422 NPXDABAKDAFSBI-LSDHHAIUSA-N 464.343 2.225 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2ccc(F)c(B3OC(C)(C)C(C)(C)O3)c2)C1 2282475917 VFUJYNMILUMXSE-MAUKXSAKSA-N 464.343 2.083 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H]1NS(=O)(=O)c1c(F)cc(F)cc1B1OC(C)(C)C(C)(C)O1 2282504099 JSVSFOGEYRFBIN-MLGOLLRUSA-N 488.362 2.456 30 10 JEEE Cn1cc(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)nc1B1OC(C)(C)C(C)(C)O1 2282553183 VYIOPNNSKQXEEB-XHSDSOJGSA-N 460.384 2.237 30 10 JEEE Cc1c(C(=O)N2[C@@H](C)CN(C(=O)OC(C)(C)C)C[C@@H]2C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282555511 UNVUKYYZSKJDSK-GJZGRUSLSA-N 462.400 2.498 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N=[S@](C)(=O)C1CN(C(=O)OC(C)(C)C)C1 2282607418 KSIJWTASHWAVRR-MGBGTMOVSA-N 482.412 2.060 30 10 JEEE CN(C[C@]1(O)CCN(Cc2ccccc2)C1)C(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2282676517 LVWZCUIZBHUMJS-RUZDIDTESA-N 451.376 2.090 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)[C@H]2CC[C@@H]21 2283056436 NSTQWFGEHSICPH-PMPSAXMXSA-N 458.368 2.294 30 10 JEEE COC(=O)[C@@H](CC(=O)NCc1sc(B2OC(C)(C)C(C)(C)O2)cc1C)NC(=O)OC(C)(C)C 2283936255 LPYIJMHXKZVBPM-CQSZACIVSA-N 482.408 2.428 30 10 JEEE CC(C)(C)OC(=O)N1CC(n2cc(C(=O)N3CCC(=CB4OC(C)(C)C(C)(C)O4)C3)nn2)C1 2283978413 BRJLTAGCOPFPTJ-UHFFFAOYSA-N 459.356 2.474 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)OCC12CC2 2284132502 GPLBILQWBSZVHW-CQSZACIVSA-N 479.408 2.227 30 10 JEEE CC1(C)OB(c2c[nH]c(C(=O)N3CC[C@](COCc4ccccc4)(C(=O)O)C3)c2)OC1(C)C 2284384545 HNKLFYNEWAAYCE-DEOSSOPVSA-N 454.332 2.448 30 10 JEEE Cc1ccc([C@@H]2C(=C(O)c3ccc(S(=O)(=O)N(C)C)cc3)C(=O)C(=O)N2CCN(C)C)cc1 2296091478 QGJQFCZJBLRZLP-OAQYLSRUSA-N 471.579 2.229 30 10 JEEE Cn1cc(C(=O)N2C[C@H](C(N)=O)[C@@H](C3CCN(c4ccc(C#N)c(C(F)(F)F)c4)CC3)C2)cn1 2297651129 ZUYLKWPLKCXMPW-MOPGFXCFSA-N 474.487 2.401 30 10 JEEE COc1ccc(OC[C@@H](O)Cn2c(NN=Cc3ccc(C)cc3)nc3c2c(O)nc(=O)n3C)cc1 2327751599 PRJDIFSQRZYMRA-KRWDZBQOSA-N 478.509 2.039 30 10 JEEE Cc1scc(C(=O)N2C[C@@H](NC(=O)OC(C)(C)C)C[C@@H](O)C2)c1B1OC(C)(C)C(C)(C)O1 2343504468 LUFDYNGULRNQHZ-LSDHHAIUSA-N 466.409 2.456 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(C)CCC2CN(C(=O)OC(C)(C)C)C2)n1C 2362480619 KXIAASWAOSSRIM-UHFFFAOYSA-N 462.400 2.357 30 10 JEEE C#CCn1/c(=N/C(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)sc2cc(C(=O)OC)ccc21 10187073 ZZQAMVHUDFTILH-YIYXVTKBSA-N 489.600 2.465 30 10 JEEE COc1cc(/C=N/Nc2nc(SCC(=O)NCCc3ccccc3)n[nH]2)c([N+](=O)[O-])cc1O 59040040 KDJXLFGHAPBEAP-SSDVNMTOSA-N 471.499 2.324 30 10 JEEE C/C(O)=N/S(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCN(c3ccc(-n4ccnc4)nn3)C2)cc1 62164727 TYHXLWAFTSVWBR-MRXNPFEDSA-N 469.527 2.183 30 10 JEEE C=C[C@]1(C)CC(=O)[C@@]2(O)[C@]3(C)[C@H](O)CCC(C)(C)[C@H]3[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@]2(C)O1 257797262 ZSBZMJGJWOYRBW-GYRYJMOFSA-N 452.544 2.091 30 10 JEEE biogenic Cc1ccc(-n2c(=C(C#N)C(=O)NCC(C)C)sc(=Cc3cnn4ccccc34)c2=O)cc1F 729670512 UWTQEYDHPBXFCC-UHFFFAOYSA-N 475.549 2.270 30 10 JEEE CC(=O)N1CCC(N2C(=O)[C@@H](CC(=O)Nc3cnccn3)SC2=Nc2ccccc2C#N)CC1 730725010 RNIKSKBMPRTJDF-LJQANCHMSA-N 477.550 2.319 30 10 JEEE C=C(C)C[C@H](CO)NC(=O)[C@@H](CC(N)=O)NC(=O)OCC1c2ccccc2-c2ccccc21 1153319422 QLRHXGFFXNRPAO-OPAMFIHVSA-N 451.523 2.212 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CC2(C)C)c1 1286311574 NYJXYORDTPBSPL-ROUUACIJSA-N 455.584 2.283 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cn3nc(C)cc3C)n2Cc2cnn(C)c2C)c1 1286312732 ZIJNVVTVTLWWLT-UHFFFAOYSA-N 471.569 2.286 30 10 JEEE C#CCCCn1c(N(CC)[C@H]2CCS(=O)(=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1286361023 YGRDLAFRASSFDT-KSZLIROESA-N 465.620 2.476 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2Cc2cc3c(cc2OC)C[C@H](C)O3)n1 1286470406 VFNWKVCGFHOWEC-KRWDZBQOSA-N 450.543 2.450 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](CC)c3ccccc3)n2CC2(S(C)(=O)=O)CC2)CC1 1286488161 LPXIIKPYBPDPPG-OAQYLSRUSA-N 483.638 2.363 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCC(NC(=O)COC)CC1 1286561481 NRRAINQHRIFPDT-XMSQKQJNSA-N 454.575 2.361 30 10 JEEE C=C(C)COCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(CO)CC1 1286608619 SKRVYRCARVJUFV-LJQANCHMSA-N 465.595 2.388 30 10 JEEE C=C(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](NC(=O)C(C)C)C1)c1ccccc1 1286615816 VCHVKEZHAVGZLY-QUCCMNQESA-N 474.631 2.343 30 10 JEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](COc2ccccc2)C1 1286701220 WTLBLXBZOUGEGK-PZJWPPBQSA-N 475.615 2.483 30 10 JEEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1286779858 LBGPMPOXMOBYEG-JTHBVZDNSA-N 493.656 2.255 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(Cc2csc(C(C)(C)C)n2)CC1 1286787379 FGXRZYFKQONEAK-QGZVFWFLSA-N 473.647 2.160 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 1286820731 PZZXPHUUBGBOKA-FQEVSTJZSA-N 491.589 2.222 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C 1286967173 CIALATGWNVEFSQ-OWCLPIDISA-N 454.597 2.031 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2OCCC2(C)C)c1 1300334727 RPNRIRLAKYWKLY-ICSRJNTNSA-N 485.610 2.052 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1c[nH]c2cc(F)ccc12 1300671708 NEJFPSHKGNMHKE-KRWDZBQOSA-N 459.547 2.129 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc(Cl)nc3)n2CC2(O)CCOCC2)n1 1300676104 LUAVMQLTAUHNOA-UHFFFAOYSA-N 485.976 2.018 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccccn3)n2CCCn2cc(Br)cn2)CC1 1300692501 HQLZJAYGEXTHBA-UHFFFAOYSA-N 455.364 2.145 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2C[C@H](C(CC)CC)N2CCOCC2)CC1 1300703361 HKWJVEGWHXYXAX-XMMPIXPASA-N 465.646 2.156 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2C[C@H]2CCC[C@@H](O)C2)CC1 1300725844 FBXUJQRLCXRSDW-SIKLNZKXSA-N 465.598 2.394 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2c(CC)nn(C)c2CC)CC1 1300729397 YHMXVWPWUJDHOY-UHFFFAOYSA-N 491.644 2.012 30 10 JEEE C=C(Br)Cn1c(-c2cccnc2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1300839448 HHAWSNOZBWGCJW-UHFFFAOYSA-N 455.382 2.157 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N1CCC(C(=O)NCCCOC)CC1 1300895425 RUHXMUQXUJXYNF-NJYVYQBISA-N 461.607 2.480 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1300935692 XUHZWXBSVTUANS-GOSISDBHSA-N 474.631 2.465 30 10 JEEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 1300950381 BXSWIGMHKMWDSJ-QAPCUYQASA-N 462.551 2.296 30 10 JEEE C=C(C)Cn1c(N2CCN([C@H](C)C(=O)NC3CCCC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1300970045 IUDTUBNABIBEKD-NLFFAJNJSA-N 474.650 2.464 30 10 JEEE C=C1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@H](COC)OC)CC1 1301087283 ZOFGSULJODROCF-ZWKOTPCHSA-N 451.568 2.404 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(CC(F)(F)F)CC1 1301478957 RKQHZQDDYIVTEU-UHFFFAOYSA-N 479.507 2.134 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N(C)CC(=O)NC(C)(C)C 1301484699 KTFHAGDGSDPOGB-UHFFFAOYSA-N 469.409 2.422 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(C)nc3ccccc23)nnc1N(C)CC(=O)NC(C)C 1301569569 ZHWHHMZZYHIQET-UHFFFAOYSA-N 470.599 2.363 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N[C@@H]2CCc3ncc(Br)n3C2)C1 1312468057 BCLAUJJVYWUROJ-XQQFMLRXSA-N 453.341 2.019 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2C[C@@H]2CCOC[C@@H]2OC)c1 1358901702 UGUPRVNEEOIARL-UGKGYDQZSA-N 460.538 2.448 30 10 JEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC[C@H](OC)C(F)(F)F 1358941564 PEVZMAOTZFJZJN-INIZCTEOSA-N 459.494 2.232 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2cccc(Cl)c2)n1Cc1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 1358957618 XDZMUYJWRLTWDH-QFBILLFUSA-N 489.001 2.480 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@H](OC)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1358965458 VLKDJOAMQBLOQP-VXKWHMMOSA-N 465.579 2.278 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CC=CCC1 1359016971 QCGHMHPDHDUZLB-FQEVSTJZSA-N 457.575 2.221 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](C)Cc2ccc(OC)c(OC)c2)CC1 1359027939 AXDPKLXOEUMDSP-IBGZPJMESA-N 468.602 2.068 30 10 JEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCN(C)C(=O)OC(C)(C)C)CC1 1359038315 RETUZHYJYVJYPL-UHFFFAOYSA-N 470.622 2.152 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C3(c4ccccc4)CCC3)n2CCCNC(C)=O)CC1 1359041924 MHXAGTDNESIDPP-UHFFFAOYSA-N 462.598 2.240 30 10 JEEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(c2nccs2)CC1 1359132556 AHORFJJXAVIUJX-SFHVURJKSA-N 496.659 2.044 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N1CCO[C@@H](C(=O)NC)C1 1359295085 PKMLGMJWRGWNRI-QGZVFWFLSA-N 484.557 2.066 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1C[C@H](c2ccc(F)cc2)O[C@H](C)C1 1359331459 ZYOVOSVHVYBRNL-OXQOHEQNSA-N 474.562 2.385 30 10 JEEE N#Cc1ccc(N2CCC[C@@H](NC(=O)CC[S@@](=O)c3ccc4c(c3)OCCO4)C2=O)cc1 1466821378 FTDMZUZGFYXSAX-AYLZSAKASA-N 453.520 2.139 30 10 JEEE COc1ccc(CCc2nnc(N3CCO[C@H](C#N)C3)n2CCS(=O)(=O)C(C)(C)C)cc1 1504230485 HVVWNBOJCHCVNV-LJQANCHMSA-N 461.588 2.014 30 10 JEEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 1507675864 GPCMHXVDRIYSMX-FQEVSTJZSA-N 450.543 2.139 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(F)ccc3Br)n2CCC(=O)N(C)C)CC1 1507717443 DARQAPDIXDUMST-UHFFFAOYSA-N 463.355 2.080 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCN2CCOC(C)(C)C2)CC1 1507719593 OZDWTEHZFLLTAA-HXUWFJFHSA-N 470.593 2.423 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1507732642 RAVKIHPIQSUBLW-HXUWFJFHSA-N 485.654 2.345 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCCc2nccs2)CC1 1507735846 IINGVPBCCMANSH-DEOSSOPVSA-N 486.642 2.374 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OC(C)C)CCOC2)n1CCNS(=O)(=O)c1ccccc1 1507762363 YJHNRCBHQDFANC-DNQXCXABSA-N 487.626 2.289 30 10 JEEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1507774447 FSOPCHVGPAIOJJ-CYBMUJFWSA-N 465.318 2.496 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C(=O)NC)CC1 1507793496 ARECBKNTLUXVCK-YOEHRIQHSA-N 478.395 2.478 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2OC)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1507807767 FCKYZIUEESKOBM-FGSXEWAUSA-N 476.599 2.470 30 10 JEEE C=C(C)Cn1c(N2CCN(S(=O)(=O)c3ccccc3C)CC2)nnc1[C@@]1(OCC)CCOC1 1507836257 CRHKJQZYYAIVPS-HSZRJFAPSA-N 475.615 2.326 30 10 JEEE C=C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H](N2CCOCC2)C(F)(F)F)CC1 1507881615 SKNUNTLNEKJBHP-PXNSSMCTSA-N 459.513 2.350 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1cccc(C)n1)C1CC1 1507992833 JJZCPCKEGRHXLE-FQEVSTJZSA-N 460.604 2.102 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC(N2CCCNC2=O)CC1 1508071520 ABHVOFQQHTUTBF-KRWDZBQOSA-N 485.564 2.244 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1508072155 HVLBNVIBKYRBAG-UHFFFAOYSA-N 466.586 2.485 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1508078862 KXYUXTDFMXDIAJ-RDJZCZTQSA-N 484.557 2.325 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cc(F)ccc2OC)C1 1508127233 UEUJICVMOCINPU-YJBOKZPZSA-N 450.536 2.158 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1508132088 USDFJMLCPVVGLN-AWEZNQCLSA-N 465.542 2.287 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1508133435 JFQAHPAGDLGQHA-VQTJNVASSA-N 457.600 2.356 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1508135645 KICPKIWHPCIYOF-SFHVURJKSA-N 489.623 2.108 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N1CCc2oncc2C1 1508135897 PAJFXNBOWIDLCJ-UHFFFAOYSA-N 481.376 2.198 30 10 JEEE C=CCSCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(C)C(=O)[C@@H]1C 1508152204 JPXFGGYUNFJFEP-INIZCTEOSA-N 477.660 2.133 30 10 JEEE Cc1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCn2cc(Br)cn2)n1 1511137077 DHXFUGYMEMDAEQ-INIZCTEOSA-N 457.336 2.427 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CCCn2nc(C)cc2C)c1 1539037557 GTEIIFRPYQBGFG-UHFFFAOYSA-N 476.585 2.376 30 10 JEEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1539116463 OINKJQSQQMHXSU-HNNXBMFYSA-N 497.547 2.156 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1Cc1cnn(C)c1C)[C@@H]1CCS(=O)(=O)C1 1539211570 IUSLGZCEKZHEHC-OAQYLSRUSA-N 452.584 2.224 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1Cc1cccc(C(=O)N(C)C)c1)[C@@H]1CCS(=O)(=O)C1 1539226504 ZJDNANJBBWZMDN-OAQYLSRUSA-N 497.646 2.307 30 10 JEEE C#CCN(c1nnc(CN2CCCC2=O)n1CC(C)(C)c1ccccc1F)[C@H]1CCS(=O)(=O)C1 1539231432 VSXLUMFCTFGNKL-SFHVURJKSA-N 487.601 2.144 30 10 JEEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H]1CC(=O)N(c2ccccc2)C1 1539237254 BPODGQLBMHZSRZ-HFZDXXHNSA-N 461.566 2.445 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(F)ccc2Br)n1C[C@@H]1COCCO1 1539399477 MMFKQCSLKSYRBD-OAHLLOKOSA-N 453.312 2.348 30 10 JEEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1539421437 SOVURVUGVVHWLF-NHCUHLMSSA-N 457.623 2.114 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2C[C@H](C(C)C)N2CCOCC2)CC1 1539470723 XGADBVQWVXYWBR-OAQYLSRUSA-N 468.602 2.169 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2CC2(OCCOC)CCOCC2)CC1 1539474449 QYBMTABAJQNDDL-UHFFFAOYSA-N 481.597 2.123 30 10 JEEE C#CCSCCn1c(-c2cccc3cccnc23)nnc1N1CCC(NS(C)(=O)=O)CC1 1539507397 VVIIJJALGTYTBX-UHFFFAOYSA-N 470.624 2.378 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CC)C[C@@H]1COc2ccccc2O1 1539517379 MVJIYCNBGMCMDY-QZTJIDSGSA-N 476.624 2.213 30 10 JEEE C=C(Cl)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1539778519 BWHRPIHXXJOXNJ-UHFFFAOYSA-N 482.770 2.319 30 10 JEEE C=CCCCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1539962719 ASMYNAREXCAFRP-KRWDZBQOSA-N 478.619 2.470 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1sccc1Br 1540073990 VZUBUJZOCFOJDQ-ZDUSSCGKSA-N 476.422 2.106 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CC[C@@H](C(N)=O)C1 1540899161 FPNKINVMPZWMIQ-HUUCEWRRSA-N 463.629 2.044 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCC[C@H](OC)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1540909122 YOVULCFSDUMUQS-KSZLIROESA-N 483.635 2.265 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCN(C)C1CCCCC1 1541803362 GXLIFEHDEIKRSV-ICSRJNTNSA-N 481.667 2.004 30 10 JEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H]2C(=O)Nc2cc(C)ccc2OC)c1 1544161086 GHFFURUCWYSHRS-HXUWFJFHSA-N 455.536 2.158 30 10 JEEE C[C@H]1CN(CCCn2c(COc3ccc(C#N)cc3)nnc2N2CCOC[C@@H]2C)C[C@@H](C)O1 1545100767 CHDZMGITABVPAQ-SLFFLAALSA-N 454.575 2.453 30 10 JEEE C#CCN1CCC(NC(=O)c2ccc(OC)c(S(=O)(=O)N(C)Cc3ccccc3)c2)CC1 1558423531 VINDRCHXFDNHCT-UHFFFAOYSA-N 455.580 2.343 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3csc(C)n3)n2C[C@]2(O)CCO[C@@H]2C)c1 1587697609 UVFFVNORJHVNEW-VOIUYBSRSA-N 480.594 2.230 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1CCN(CC)CCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1588029022 CDFYMLBGZJZYIN-MRXNPFEDSA-N 463.570 2.477 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CCC(C)(C)C1CC1)[C@@H]1CCS(=O)(=O)C1 1588035361 SMALGXXSQQFMLA-XXBNENTESA-N 464.632 2.383 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H]1CCOC[C@H]1OC)[C@@H]1CCS(=O)(=O)C1 1588040155 ISGCKPNHFOQNFM-XAUMDUMWSA-N 496.992 2.416 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Cl)n1C[C@@]1(OC)CCOC1)[C@@H]1CCS(=O)(=O)C1 1588045529 MHLNUGOKNGYBBL-IERDGZPVSA-N 464.975 2.031 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1588050863 WKYTXZYQHULMJD-ZCNNSNEGSA-N 485.658 2.118 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1cnn(CC(C)C)c1C)[C@@H]1CCS(=O)(=O)C1 1588053345 CRQBBDHBJORUSQ-RTWAWAEBSA-N 474.631 2.356 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H](C)Oc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1588053953 JFTKJVSDQRUFOW-AQNXPRMDSA-N 458.584 2.185 30 10 JEEE C#CCN(c1nnc(COc2ccccc2CC)n1CCc1ccn(C)n1)[C@@H]1CCS(=O)(=O)C1 1588069026 FQDQRDWLHDPXQJ-OAQYLSRUSA-N 482.610 2.022 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1coc(-c2cccs2)n1 1588181115 PDFOUYFFPYYTPJ-HNNXBMFYSA-N 458.569 2.116 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1CCCCn1cc(Br)cn1 1588223742 FIMHUXWULUXZDI-KRWDZBQOSA-N 458.364 2.132 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC[C@@H]2CCO[C@@H](C)C2)CC1 1588885684 YIIYRVUTCCIWRX-RBUKOAKNSA-N 479.585 2.096 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2C[C@@](C)(O)[C@H](C)CC)CC1 1588907520 DBWSZSSCVMYYNY-CRICUBBOSA-N 467.570 2.437 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@](C)(O)c2ccccc2)CC1 1588930348 TYEPMHHBFUGINK-PXDATVDWSA-N 451.571 2.393 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC(CO)CC1 1595788667 FYYKSHHERPAUQZ-UHFFFAOYSA-N 457.556 2.410 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCC(Oc2cncc(Cl)n2)CC1 1595788923 KRSSTTZEPJFTDX-UHFFFAOYSA-N 452.968 2.248 30 10 JEEE CCNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1615907329 FYIUXNZGXHMQHL-QFIPXVFZSA-N 478.645 2.195 30 10 JEEE CNC(=O)[C@@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN(C)CC(F)(F)F)C1 1618595440 GOXUTWCHPVXIAF-NRFANRHFSA-N 479.507 2.185 30 10 JEEE COCC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2CC(F)(F)C2)CC1 1619551769 GTCGTWVZTCLWIK-UHFFFAOYSA-N 460.485 2.069 30 10 JEEE N#Cc1ccc(Br)cc1S(=O)(=O)NCCN1Cc2ccccc2OCC1=O 1622548716 CBHVSULCBQTFEQ-UHFFFAOYSA-N 450.314 2.020 30 10 JEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)cc1 1626677827 ZLIMWFVZROZLDH-NRFANRHFSA-N 456.955 2.274 30 10 JEEE CC#CC[C@H](CO)NC(=O)[C@@H](CCSC)NS(=O)(=O)c1cc(Cl)ccc1Cl 1640795107 WYYIWWZZTCPWCM-UKRRQHHQSA-N 453.413 2.284 30 10 JEEE C#C[C@H](NC(=O)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1)c1ccc(F)cc1 1686916876 XSKSJRFKWHOANG-INIZCTEOSA-N 459.528 2.221 30 10 JEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2nc3ccccc3o2)CC1 1689877152 RLVASSGSIMHGQQ-KRWDZBQOSA-N 471.587 2.160 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@H](CC)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1689992716 OGAPSHCZLNWBAA-FCHUYYIVSA-N 485.654 2.379 30 10 JEEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1CCCSCC)[C@@H]1CCS(=O)(=O)C1 1689994016 PKPWIJGLRYCDAI-LJQANCHMSA-N 472.640 2.287 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N(CC)C(=O)OC(C)(C)C 1690077063 HWVGPWWEIYPERV-SJORKVTESA-N 453.609 2.285 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@H](C)N(C)C)CC1 1690137292 SXIJFOQRHIUVLN-MSOLQXFVSA-N 456.566 2.473 30 10 JEEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1690167512 KQBDBJXJFLXWGJ-UHFFFAOYSA-N 466.615 2.030 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccccc2F)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1690249360 XJPDDSZLPDCFOW-IVKZONNUSA-N 458.534 2.349 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)c1ncc(C)s1 1690597533 WPOZXNLRTAJDOT-NVXWUHKLSA-N 466.633 2.358 30 10 JEEE C=CCn1c(COc2ccccc2OC)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1690652400 ISRZTBMSZQGUGV-UHFFFAOYSA-N 490.611 2.328 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCCN(C(=O)c2cccc(C)c2)CC1 1690659436 SKSROUKJKQPDNF-UHFFFAOYSA-N 495.628 2.160 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1690666694 CZSPWVQXFQEYGL-SFHVURJKSA-N 453.522 2.105 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N(CC)Cc1nc(O)c2ccccc2n1 1690672867 GLWRVOLYRLHVPI-UHFFFAOYSA-N 458.526 2.241 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCN(CCC(C)(C)C)CC1 1690726769 KVAGBCXIPNHEDI-UHFFFAOYSA-N 460.648 2.423 30 10 JEEE C=CCS(=O)(=O)CCn1c(CSc2ccc(C)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1690729014 CZMABNFOIKWGDA-KRWDZBQOSA-N 484.669 2.103 30 10 JEEE CO[C@H]1CCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1697647041 CNWAWRPTYNWVCY-ICSRJNTNSA-N 458.588 2.150 30 10 JEEE C#CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1705533643 YWAWXQFGHKVKOE-MOPGFXCFSA-N 499.616 2.279 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@]1(O)CCSC1)[C@H]1CCS(=O)(=O)C1 1705561457 UDHBJYSHFPBLKV-ZJBJCVSYSA-N 494.614 2.052 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCCc1c[nH]nc1C)[C@H]1CCS(=O)(=O)C1 1705562355 APKYWLRSIUWJOS-NRFANRHFSA-N 463.567 2.108 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@@H](OC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1705568224 JOCLHCOROJXTLY-TZIWHRDSSA-N 460.600 2.463 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccnc2)n1C[C@@H]1C[C@@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1705579883 XHNBLUCFUQAXNC-QHAWAJNXSA-N 462.554 2.437 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCN(c2ccccc2F)C1 1705598131 BSGKXMTYDWGKDF-WOJBJXKFSA-N 469.586 2.309 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[S@](=O)C(C)(C)C 1705619494 SCAYETKRCLRBIR-ZYSBOAIWSA-N 483.635 2.214 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H](c2ccccc2)N(C)C)CC1 1705642252 MZHUDQHMENIQBE-NRFANRHFSA-N 477.638 2.328 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2CCC(=O)N2CCCCC2)CC1 1705650881 BKOSHSPHHAQPRR-UHFFFAOYSA-N 496.587 2.365 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1705694041 NIEKWEKVATVZAX-WOJBJXKFSA-N 474.606 2.410 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC(NC(=O)C(C)C)CC1 1705705434 HTJUBTBFKHNAOH-AVRDEDQJSA-N 458.607 2.123 30 10 JEEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1705727376 ZWFYBRGZGKUACK-PMACEKPBSA-N 499.685 2.472 30 10 JEEE C=CCn1c(Cc2ccc(F)cc2)nnc1N1C[C@@H]2[C@H](C1)[C@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1705891214 JMQPQBPPIXUNRU-GUDVDZBRSA-N 491.589 2.321 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCO[C@H](c2ccc(F)c(F)c2)C1 1705906296 ZHCCCFXETKIYFR-FQEVSTJZSA-N 454.481 2.422 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1c1ccc(CC)o1 1705936036 IKFUNSZJTACHDK-SJLPKXTDSA-N 482.628 2.278 30 10 JEEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCN(C(=O)OC(C)(C)C)C2CC2)CCO1 1711360112 BVOBUHSRRKJUDP-FQEVSTJZSA-N 495.584 2.167 30 10 JEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1722323334 CXHFFGGBTXQWLM-DLBZAZTESA-N 468.624 2.137 30 10 JEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)NC2CCCCC2)CC1 1722333704 YCTHATFVTBJTTC-GOSISDBHSA-N 476.647 2.194 30 10 JEEE C#CCN(c1nnc(C2CC2)n1Cc1cccc(C(=O)N[C@@H](C)CC)c1)[C@@H]1CCS(=O)(=O)C1 1722367206 KVCVHNLPWBKYCA-LAUBAEHRSA-N 469.611 2.359 30 10 JEEE C#CCN(c1nnc(C2CCC2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1722367625 NBAOTFZLDHGAOZ-FUHWJXTLSA-N 465.620 2.428 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1ccc(C)n(C)c1=O 1722419293 WRFZCVRGLXZTBU-UHFFFAOYSA-N 482.972 2.003 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 1722494949 TYDCNDFTIGJPIL-ICSRJNTNSA-N 475.615 2.437 30 10 JEEE C=CCCCCn1c(-c2ccc(F)cc2Br)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1722602173 ROZFLSLXDAOWNH-HNNXBMFYSA-N 491.365 2.350 30 10 JEEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](CC)C1 1722686285 WRLSXDZEAFSORY-BBWFWOEESA-N 453.609 2.496 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CCC(C(=O)OC)CC1 1722688755 KTQDIAWJYDJIPU-UHFFFAOYSA-N 462.348 2.399 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCS(=O)(=O)CC)C1 1722716460 VIXPSZZNADRQQO-CQSZACIVSA-N 458.382 2.252 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CC1(O)CCC1 1727222748 HUYCYEZRFJUGOG-UHFFFAOYSA-N 469.565 2.449 30 10 JEEE C#CCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1740582214 LISBPUAYITXMOF-KRWDZBQOSA-N 453.515 2.478 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1Cc1nnc(CC)s1)[C@@H]1CCS(=O)(=O)C1 1740622018 SDBMSTBHZJCDDB-OAHLLOKOSA-N 472.596 2.043 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H](c1ccccc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1740623449 UCTLMSXBLMFYFA-FSSWDIPSSA-N 471.627 2.449 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1csc([C@H](C)OC)n1)[C@@H]1CCS(=O)(=O)C1 1740626853 WOKOTDKDQGWCTO-QFBILLFUSA-N 486.623 2.103 30 10 JEEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1C[C@H]1CC=CCO1)[C@H]1CCS(=O)(=O)C1 1740627154 FCYOUBAJYOCWSP-LEWJYISDSA-N 470.595 2.446 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1Cc1csc([C@@H](C)OC)n1)[C@H]1CCS(=O)(=O)C1 1740627821 SOSHVDTURQMQNP-WBVHZDCISA-N 451.618 2.316 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1740650152 QPFFQDMLMIKIMT-DEOSSOPVSA-N 454.596 2.255 30 10 JEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(Cc2ccc(F)cc2)CC1 1740709609 PPDIZWTZYGNREF-SFHVURJKSA-N 494.662 2.106 30 10 JEEE C=C(C)Cn1c(COc2ccccc2OC)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1740785593 OQRKXHGECBOQND-UHFFFAOYSA-N 456.547 2.016 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](N(C)Cc2ccccc2)C1 1740794741 HFCXXZGVKBSUJH-VXKWHMMOSA-N 473.643 2.484 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccn3C)n2C[C@@H](N2CCOCC2)C(F)(F)F)C1 1740976663 MVFOVQIGFUCFDL-FUHWJXTLSA-N 454.497 2.328 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1740976931 AGPRVDHAFPAKSE-WOJBJXKFSA-N 456.572 2.022 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 1740992180 CHQIYNLTFJQMHE-UHFFFAOYSA-N 498.609 2.165 30 10 JEEE CC(C)(C)Cc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CCN1CCCS1(=O)=O 1741197297 BTBHWRGVNDITBM-UHFFFAOYSA-N 485.658 2.096 30 10 JEEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCN(CC(C)C)C2)CCO1 1748208924 CFAIUPGXCXMXGD-UNMCSNQZSA-N 465.602 2.136 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1CCN(C)Cc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1748803451 YZPPPOQKSWQQOI-HXUWFJFHSA-N 461.607 2.473 30 10 JEEE C#CCN(c1nnc(-c2ccc(OCC)c(OC)c2)n1CC(C)(C)OC)[C@@H]1CCS(=O)(=O)C1 1748809169 KDCOHJYTORIRQE-GOSISDBHSA-N 476.599 2.404 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCCOC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1748809573 NTALIVAFMAOVBT-GOSISDBHSA-N 494.017 2.206 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCN(C)[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1748810243 UXKAWILAZGOWLZ-GHTZIAJQSA-N 454.600 2.174 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1nncn1-c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1748817887 RZCPFMSJNRIEJP-LJQANCHMSA-N 467.599 2.122 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(F)ccc2Br)n1Cc1cn(C2COC2)nn1 1748951234 VMXZNTYFLFYEMF-UHFFFAOYSA-N 490.337 2.144 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2nnc(C(C)(C)C)s2)CC1 1748979875 QNIVREFAHSBIIJ-UHFFFAOYSA-N 499.666 2.301 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccc(COC(C)(C)C)c2)CC1 1748990843 MLKSNNTZIUNNKQ-NRFANRHFSA-N 450.587 2.348 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H]2CCCO[C@H]2C(C)C)CC1 1749008892 ISNSQFAVHVNNFT-FPOVZHCZSA-N 453.591 2.096 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(NC(C)=O)cc2)CC1 1749009159 FWOHTINEUJXUTD-NRFANRHFSA-N 464.570 2.145 30 10 JEEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 1749450872 WERRBRRWINBVLA-UHFFFAOYSA-N 484.576 2.137 30 10 JEEE C=CCN(c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCS(=O)(=O)NC)C1CC1 1749519357 JUYQIJXAHRYHFZ-UHFFFAOYSA-N 468.624 2.097 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1nnc(C)s1 1749532658 ZHNVBIOHJVKJTF-AWEZNQCLSA-N 472.600 2.161 30 10 JEEE C=CCN(CCOC)c1nnc(-c2cnccn2)n1C[C@@H]1C[C@@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1749597888 PFENYKVFBQBZHJ-WSTZPKSXSA-N 485.589 2.398 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1749725012 PFMQGXFEBZOZAU-JOCHJYFZSA-N 473.643 2.409 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](COC)C1 1749732320 VOEDAJJRKZUFRK-OALUTQOASA-N 497.662 2.466 30 10 JEEE CC(=O)N(C)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCCCS(C)(=O)=O)CC1 1749777550 LZOJROSGSPVFEY-UHFFFAOYSA-N 472.615 2.479 30 10 JEEE COCCN(CCC#N)c1nnc([C@@H]2COc3ccccc3O2)n1CC1([S@](C)=O)CCC1 1749829940 BMNSXZHPSATDDP-GTJUCTONSA-N 459.572 2.458 30 10 JEEE CC(C)C[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2C#N)CC1)N(C)C 1750696660 DYJZNXOSTSYHKI-FGZHOGPDSA-N 499.685 2.355 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCCN1CCN(c2ccncc2)CC1 1760099092 CEHLPGSSMIBNKW-GJZUVCINSA-N 481.645 2.384 30 10 JEEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1760132694 LVXBBLPINZZKIZ-FQEVSTJZSA-N 486.642 2.351 30 10 JEEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCCN(C(=O)Cc2cccc(F)c2)CC1 1760157623 WEMPAZADVVXKMX-UHFFFAOYSA-N 466.561 2.234 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CC(C)(C)C(=O)NCC)[C@@H]1CCS(=O)(=O)C1 1760184623 XGLLSARTOSCWQL-HXUWFJFHSA-N 471.627 2.297 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@H](CC)Oc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1760189152 OEXGOVUOGFIMEV-PMACEKPBSA-N 486.573 2.302 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2Cc2ccccc2S(=O)(=O)N(C)C)CC1 1760266301 VEEBAYXXDVHSSY-SFHVURJKSA-N 486.642 2.056 30 10 JEEE C=CCCCCn1c(N2CCC([C@H]3NC(=O)N(C)C3=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1760430520 LZZSGXULFFYIKN-DVECYGJZSA-N 474.606 2.442 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC(O)(C(F)(F)F)CC1 1760517535 PIWUDZIGDLDORC-UHFFFAOYSA-N 499.490 2.167 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccc3OC)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1760546752 VKVAEJWOXSJPAB-WOJBJXKFSA-N 475.615 2.083 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(Cl)cc2)nnc1N1CCOC2(CCOCC2)C1 1760557265 FYKDLENZRBTYRW-UHFFFAOYSA-N 497.017 2.497 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCc2ccc(OC)cc2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1760557702 UIZOTLUJKHIAHA-CYFREDJKSA-N 490.626 2.057 30 10 JEEE Cc1nn(C)c(N2CCN(c3nnc(C(=O)NC(C)C)n3C[C@H](C)c3ccccc3)CC2)c1C#N 1762399739 ALNNVOBVRQFPOO-SFHVURJKSA-N 475.601 2.460 30 10 JEEE CC[C@H](C)[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCc2nn(C)c(=O)cc2C1)OC 1763463645 ARYWKKDWQJPBFB-JTSKRJEESA-N 477.569 2.446 30 10 JEEE CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1CC1(N(C)C)CCOCC1 1766647056 GIVAIVOUYKARNY-SFHVURJKSA-N 474.631 2.187 30 10 JEEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2nc(C)c(C)s2)CC1=O 1771135612 CYKVXLDOZKLDCP-UHFFFAOYSA-N 465.583 2.428 30 10 JEEE C#CCN(CC#CC)c1nnc(COc2ccc(Br)cc2)n1Cc1ncn(C)n1 1772516249 NFPJNRAHBNXHSV-UHFFFAOYSA-N 454.332 2.259 30 10 JEEE O=C(C1=C(O)C(=O)N(CCN2CCOCC2)[C@H]1c1cccc(O)c1)c1ccc([N+](=O)[O-])cc1 1862746222 AYMPEPMOONFIPN-FQEVSTJZSA-N 453.451 2.211 30 10 JEEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(N(C)C)cc1 1862757212 GQGQFUIDBSWJKQ-HXUWFJFHSA-N 452.467 2.375 30 10 JEEE N#C[C@H](c1cccs1)N1CCC(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCOCC2)CC1 1868783944 URZIQUDCCQFHDF-FCHUYYIVSA-N 482.606 2.317 30 10 JEEE C=CCOc1ccccc1OCC(=O)Nc1nc(N(CC=C)CC=C)nn1[C@H]1CCS(=O)(=O)C1 1870004930 PXGUDIJMHZXBEJ-SFHVURJKSA-N 487.582 2.398 30 10 JEEE CN1CCN(c2ccc(-n3nnc(C#N)c3NC(=O)COc3cc(F)ccc3F)cc2)CC1 1870158240 QJCBQKBXODDOEC-UHFFFAOYSA-N 453.453 2.186 30 10 JEEE CCCCCCCCn1cc(OCC(=O)NCCOC)c(=O)cc1CN1CCC(O)CC1 1870519925 NDMANAYAEAHUKC-UHFFFAOYSA-N 451.608 2.307 30 10 JEEE CN1CCN(CC#CCOC2CCN(C(=O)c3cc(Br)cnc3Cl)CC2)CC1 1891049546 NUNFLGRIXNKUOR-UHFFFAOYSA-N 469.811 2.370 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](NCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)[C@@H](S(C)(=O)=O)C1 2192661426 XOKCZJBLOWEPMF-OALUTQOASA-N 480.436 2.108 30 10 JEEE Cc1cnc(N2CCC(NC(=O)OC(C)(C)C)(C(N)=O)CC2)c(B2OC(C)(C)C(C)(C)O2)c1 2241052963 XOYGBSFDJBRZNB-UHFFFAOYSA-N 460.384 2.038 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]1CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2255753669 RRJZZXPXVIRIBY-UONOGXRCSA-N 472.438 2.486 30 10 JEEE CO[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2267149320 LBFISAMCGNBHEL-GJZGRUSLSA-N 467.397 2.197 30 10 JEEE CC1(C)OB(c2nscc2C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)OC1(C)C 2267192595 SYDXETADGSRMMW-SFHVURJKSA-N 457.405 2.463 30 10 JEEE Cc1c(C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2267509774 AOOYHCXHFMXXHR-HNNXBMFYSA-N 450.389 2.307 30 10 JEEE Cc1sc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)c(B2OC(C)(C)C(C)(C)O2)c1C 2267564561 ILMIDZHIYXANNE-GJZGRUSLSA-N 466.409 2.374 30 10 JEEE CC(C)(C)OC(=O)N1[C@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C[C@@H]2CCC[C@H]21 2268636591 FMSSCHDIWBOINM-MJBXVCDLSA-N 464.397 2.376 30 10 JEEE CCOC(=O)CN(Cc1ccccc1)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2269035092 YITRAXKWMPSCNX-UHFFFAOYSA-N 480.417 2.337 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CC(NS(=O)(=O)c2cccnc2C#N)C1 2271978607 WRPRRPQLRGJZFS-UHFFFAOYSA-N 481.575 2.088 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CC(NS(=O)(=O)c2ccc(C#N)nc2)C1 2272027503 ALZMGOACNVPSBO-UHFFFAOYSA-N 481.575 2.088 30 10 JEEE Cc1c(C(=O)N2C[C@@H]3C[C@H](C2)CN3C(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281794586 ISLZKUCWJBGWSJ-CVEARBPZSA-N 460.384 2.109 30 10 JEEE COCC1(CNC(=O)c2nc(C)sc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2282017237 HZIYZCQJZPZCFO-UHFFFAOYSA-N 481.424 2.364 30 10 JEEE CC1(C)OB(c2cnc(C(=O)NC[C@H]3COCCN3Cc3ccccc3)c(F)c2)OC1(C)C 2282036183 FPMCYTFSRQNLDC-IBGZPJMESA-N 455.339 2.151 30 10 JEEE CCn1cc(C(=O)N2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)nc1B1OC(C)(C)C(C)(C)O1 2282050967 QJTOPQUNBFUNTG-IYBDPMFKSA-N 460.384 2.141 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@H](NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C12CCC2 2282089424 ALIZEHBJISDROG-HOTGVXAUSA-N 458.368 2.342 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)c1csc(NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)n1 2282105913 QZFARMLURSKGES-NSHDSACASA-N 478.384 2.409 30 10 JEEE COCC1(NC(=O)c2ccc(F)c(B3OC(C)(C)C(C)(C)O3)c2)CN(C(=O)OC(C)(C)C)C1 2282468792 XVIZWNCEALJXRV-UHFFFAOYSA-N 464.343 2.491 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2CC[C@@]2(CNC(=O)OC(C)(C)C)C1 2282485010 NPHREYIIZOTKBD-IQMFZBJNSA-N 460.384 2.096 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(NS(=O)(=O)c2ccc(F)cc2B2OC(C)(C)C(C)(C)O2)C1 2282513116 XUGHFBQBPJPPEH-FPTDNZKUSA-N 482.383 2.413 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCCO[C@@H]2[C@H]1NC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2282514470 DIKHQOCCSMKZLI-FQLMCAECSA-N 479.408 2.243 30 10 JEEE Cc1nn(C)c(C(=O)N2CC[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2282560211 TXOSAZVRWCRTTA-HOCLYGCPSA-N 462.400 2.403 30 10 JEEE Cc1c(C(=O)NC[C@@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282592420 CRNCNFQEIBIWDR-NPMXOYFQSA-N 460.384 2.015 30 10 JEEE CC(C)(C)OC(=O)N1CC(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(Cl)s2)(C(N)=O)C1 2282612081 QVHMXWQQYOWPSM-UHFFFAOYSA-N 499.826 2.153 30 10 JEEE C[C@@H]1CC[C@H](CNC(=O)C(F)(F)F)N(C(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282674163 GUHCKDZQJFSOBT-CZUORRHYSA-N 455.286 2.300 30 10 JEEE C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282829663 ICXZKFTXTOBFRM-RDJZCZTQSA-N 481.424 2.447 30 10 JEEE CO[C@H](CNC(=O)OC(C)(C)C)C(=O)N1CCc2c(cccc2B2OC(C)(C)C(C)(C)O2)C1 2283967688 GNRZKQKAPGLKDY-LJQANCHMSA-N 460.380 2.410 30 10 JEEE CC(C)(C)OC(=O)N(CCO)CC(=O)N1CCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C1 2283968497 LKZWRRSENCCETK-UHFFFAOYSA-N 460.380 2.100 30 10 JEEE CC(C)(C)OC(=O)NC1(C(=O)N2CCc3c(B4OC(C)(C)C(C)(C)O4)cccc32)CC(O)C1 2284048149 JJHFEDRGHRVYKB-UHFFFAOYSA-N 458.364 2.293 30 10 JEEE COc1ccc(C(O)=C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2cc(OC)ccc2OC)cc1 2296098660 GLVZAEUAAWXBJW-QHCPKHFHSA-N 482.533 2.466 30 10 JEEE O=C1C[C@@H](c2nnc(S)n2N=Cc2ccccc2S(=O)(=O)O)CN1Cc1ccccc1 2322249322 JFCWLMSIGHFVBV-MRXNPFEDSA-N 457.537 2.212 30 10 JEEE CC(C)(C)N1C[C@@H](c2nnc(SCCO)n2N=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1=O 2327906622 ZOZFJGDQOFZFHJ-AWEZNQCLSA-N 490.542 2.039 30 10 JEEE CC(C)(C)OC(=O)NCC[C@@H]1CN(C(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)CCO1 2337339296 RSKNVMWRBIQUKX-CQSZACIVSA-N 467.397 2.198 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCN(C(=O)OC(C)(C)C)C(C)(C)C2)n1C 2362338427 FEKUYDILJTXMPR-UHFFFAOYSA-N 462.400 2.499 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC1CC(F)(CNC(=O)OC(C)(C)C)C1 2362342864 YIFZNFLOHMWEED-UHFFFAOYSA-N 466.363 2.092 30 10 JEEE C=CCNC(=O)NC(=O)COC(=O)c1cc(S(=O)(=O)N(C)Cc2ccccc2)ccc1Cl 10405860 FEGAHWJPKKNCLB-UHFFFAOYSA-N 479.942 2.329 30 10 JEEE COc1ccc([C@@H]2/C(=C(/O)c3ccccc3)C(=O)C(=O)N2CCN2CCOCC2)c(OC)c1 102537683 ZVFAYSNKVOUUCM-RKKARLDVSA-N 452.507 2.458 30 10 JEEE C#Cc1cccc(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3cnn(-c4ccccc4)n3)c2=O)c1 726580853 ZBAMELKPFFENLQ-UHFFFAOYSA-N 477.549 2.333 30 10 JEEE C=CCCSCCNC(=O)c1cc(O)nc2ccc(S(=O)(=O)N3CCOCC3)cc12 1130881944 TVPCUQNBSWWLES-UHFFFAOYSA-N 451.570 2.000 30 10 JEEE N#CCOc1cc(F)ccc1NC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 1215890147 DFHIZAILGNEXRO-KRWDZBQOSA-N 455.494 2.145 30 10 JEEE C#CCCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1286316599 XRQMDTINPIUJRG-FQEVSTJZSA-N 466.542 2.239 30 10 JEEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCCCOc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1286389705 PANTZWXARICXNV-FPOVZHCZSA-N 485.610 2.024 30 10 JEEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1C[C@@H](CC(C)C)N(C)C)[C@H]1CCS(=O)(=O)C1 1286390642 DBCRKGLGYGFOMC-FCHUYYIVSA-N 497.669 2.120 30 10 JEEE C#CCN(c1nnc(CCOc2ccccc2)n1CC[S@](=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1286391058 GACKCPGRKZGFQE-WHUARKNTSA-N 492.667 2.074 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](OC)C(C)C 1286468141 ZLSLJTCCKXZWJU-RBUKOAKNSA-N 465.595 2.344 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2CCNS(=O)(=O)c2ccc(C)s2)CC1 1286486486 MVTZLLLIRFHNGU-MRXNPFEDSA-N 492.671 2.106 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C)n2C[C@H](c2cccc(OC)c2)N2CCCC2)CC1 1286488716 RQNOAPGDSACFNR-HSZRJFAPSA-N 450.587 2.398 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3CC)n2C[C@@]2(C)COCCO2)CC1 1286491808 CEANIBMNDURHTN-SANMLTNESA-N 481.597 2.191 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H](NC(=O)OCC)C1 1286568111 XPGWXQXLRQWIMF-LQWHRVPQSA-N 460.579 2.097 30 10 JEEE C=C(C)COCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCCN(C(C)=O)CC1 1286606549 TVKRUNJBTNXQLA-UHFFFAOYSA-N 451.531 2.245 30 10 JEEE C=CCCOCCn1c(-c2cccc3cccnc23)nnc1N1CCO[C@@H](CNC(C)=O)C1 1286709578 YGDLYOQXANGEQP-FQEVSTJZSA-N 450.543 2.427 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1286780485 VXXAFLAAGCATDF-YRVVQQKDSA-N 479.379 2.111 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1286784349 FIZCRDNNYJKYJE-QFBILLFUSA-N 489.418 2.167 30 10 JEEE C=CCNC(=O)Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCN(C(C)=O)CC1 1286791451 ZRZIJGDETVBWLK-UHFFFAOYSA-N 474.993 2.222 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(F)cc3)n2CC2(S(C)(=O)=O)CC2)C1 1286812038 JGQFJXYNTQQNKH-GOSISDBHSA-N 450.536 2.355 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1cccc(Cl)c1 1288524270 AXBHGZVSXDBTNP-YJBOKZPZSA-N 482.994 2.082 30 10 JEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc([C@@]2(C)NC(=O)NC2=O)cc1 1292637337 ZSXRWOPJFNEDAW-YCRPNKLZSA-N 450.923 2.393 30 10 JEEE CCN(C(=O)OC(C)(C)C)[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1295045772 BVMJIBZNQNFFKP-XLIONFOSSA-N 497.600 2.413 30 10 JEEE C=CCN1CC[C@@H](N(C)C(=O)c2cc(S(=O)(=O)Nc3ccc(OC)cc3)ccc2O)C1=O 1297060977 CKSQAOBCBLXHIT-LJQANCHMSA-N 459.524 2.061 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1nnc(C)s1 1300650524 UPSNAPOQVLFLLQ-QGZVFWFLSA-N 474.587 2.362 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1300719271 UPJYXWMPDLHVEO-MWTRTKDXSA-N 457.962 2.104 30 10 JEEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C(C)=O)C[C@H]1C 1300743470 QXKQFGNVVHJJNT-CYBMUJFWSA-N 451.394 2.459 30 10 JEEE C#CCSCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCC[C@@H](C(N)=O)C1 1300756890 VMORADKNHBNECO-QGZVFWFLSA-N 479.610 2.133 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)c2nc(C)cs2)CC1 1301087259 ZKGWQZLVOLHRGU-NVXWUHKLSA-N 466.633 2.336 30 10 JEEE C=CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1301194287 HFTDYINSOKQQES-INIZCTEOSA-N 466.633 2.096 30 10 JEEE COCC[C@@](C)(O)Cn1c(CCc2ccccc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1301458184 CTFVPLKQCSGFCW-AREMUKBSSA-N 475.597 2.444 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1301483145 IFCWUIIKBLGYLT-KRWDZBQOSA-N 468.583 2.117 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(COc3cccc(C)c3)n2CCC(=O)N2CCOCC2)C1 1301565122 DLGDTWSBWCTMNO-OAQYLSRUSA-N 455.559 2.196 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCCO[C@H](C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1301596596 TYLLMHKWCGGVLH-KURKYZTESA-N 483.635 2.265 30 10 JEEE CC(=O)N(C)C1CCN(c2nnc(-c3ccccc3C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1301635891 VELCSFMUJCQHSY-ZNTNEXAZSA-N 477.569 2.227 30 10 JEEE CC(C)(Oc1ccc(C#N)cc1)C(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1 1356435181 DMPREFPVZHLFGO-UHFFFAOYSA-N 457.552 2.194 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(C)CN(C2CC2)C1=O 1358889390 BFCFAYADCMRQTB-NVTAWBTOSA-N 472.590 2.055 30 10 JEEE C#CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1358925078 SASKRMSHLNCTAH-UHFFFAOYSA-N 466.586 2.120 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCOCCCO 1358993250 IYAOMVRQIRUBRH-FQEVSTJZSA-N 459.591 2.255 30 10 JEEE C#CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1C[C@@]1(N(C)C)CCSC1 1359026420 XHXNJMDDUUUMAY-QHCPKHFHSA-N 453.616 2.040 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@]2(O)CCO[C@H]2C)CC1 1359045592 MXXAJZYUVCDZEF-BXKMTCNYSA-N 471.989 2.028 30 10 JEEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](C2CCOCC2)C1 1359076588 GLVVECYXZDWBIE-ZFWWWQNUSA-N 462.414 2.050 30 10 JEEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@@H]2CCOC2)CC1 1359083052 AZADEXXIMQVOLO-CVEARBPZSA-N 459.410 2.342 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1359092795 GKYVIKGQAUYWBC-LBJGLMTLSA-N 486.569 2.304 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(N2CCCC2)CCOCC1 1359113666 NOUCVHSEVRLXKU-LJQANCHMSA-N 451.637 2.228 30 10 JEEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCCOc1ccc(S(C)(=O)=O)cc1 1359121661 BATRNIAKNBRHCU-KRWDZBQOSA-N 482.628 2.065 30 10 JEEE C=CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1359207712 UJFFOXQJBKUESP-UHFFFAOYSA-N 479.585 2.041 30 10 JEEE C=CCOc1ccc(Cn2c(CC)nnc2N2C[C@H](C)[C@@H](N3CCN(C(C)=O)CC3)C2)cc1 1359308126 FEGBYZRRNOUWOB-CVDCTZTESA-N 452.603 2.442 30 10 JEEE C#CC[C@]1(C(=O)NCc2ccc(CN3C(=O)CNC3=O)cc2)CCCN1C(=O)OC(C)(C)C 1471270703 DNTSHEDVPHVDQC-XMMPIXPASA-N 454.527 2.148 30 10 JEEE C=CCN([C@@H](Cc1ccccc1)C(=O)OCC)S(=O)(=O)c1ccc2c(c1)C(=O)N(C)C2=O 1475195182 FPPHANOAEORJLG-FQEVSTJZSA-N 456.520 2.264 30 10 JEEE CC[C@@H](C)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCCN(S(C)(=O)=O)CC1)OC 1494988706 FOQNGMGVCABEPF-XLIONFOSSA-N 460.604 2.350 30 10 JEEE CCNC(=O)c1cccc(Cn2c(N3CC[C@@](F)(C#N)C3)nnc2[C@]2(OCC)CCOC2)c1 1502420697 AACBRJPZJYQFFD-PKTZIBPZSA-N 456.522 2.170 30 10 JEEE CN(CC(C)(C)CN1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1CC1(S(C)(=O)=O)CC1 1503449869 BNSNSQGTYRRGTM-UHFFFAOYSA-N 486.642 2.189 30 10 JEEE CNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2N(C)CCCC2(C)C)CC1 1503822083 HJDQSEOPGSACGL-FQEVSTJZSA-N 450.591 2.399 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@H]1CCN(CC)C1 1507652331 HBIPUIVLNPKSFL-FQEVSTJZSA-N 457.582 2.480 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCO[C@H]1c1ccccc1 1507688722 DBMXTXPPGRQSLO-FSSWDIPSSA-N 487.626 2.238 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ncccc1C 1507702713 WSJBWYIBEOHBFI-JOCHJYFZSA-N 498.584 2.142 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H]2CCN(CC)C2)CC1 1507742733 OTEHVUKYBSPHFD-FQEVSTJZSA-N 452.578 2.316 30 10 JEEE C#CCSCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CC(=O)N(C)C[C@@H]1C 1507751910 PDXUNEGFNZETRA-KRWDZBQOSA-N 479.610 2.269 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1507805265 OTMUQAJBJKOXJK-REWPJTCUSA-N 488.658 2.495 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCCS(=O)(=O)C1 1507814230 FNKNVYYHFZKJFU-KRWDZBQOSA-N 456.576 2.148 30 10 JEEE C=C(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@@H](C)C1)c1ccccc1 1507851175 HIXUDHXIQWLHQP-HKUYNNGSSA-N 463.629 2.266 30 10 JEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)CNC(=O)OC(C)(C)C)CC1 1507882767 WDUYAKLGEMTJOK-HOTGVXAUSA-N 456.613 2.206 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCN(c2cnccn2)CC1 1508072785 GQOGCJXXYJAXDV-UHFFFAOYSA-N 492.584 2.160 30 10 JEEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1508095337 NLPBCZSRGVMLIS-UQBPGWFLSA-N 469.586 2.148 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1508130440 IBOSTBXNZJGAFT-PZJWPPBQSA-N 486.642 2.421 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1508134298 CQLYCSCMQAOPLF-VMZNBEPHSA-N 484.420 2.234 30 10 JEEE CC(C)N1CCC[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(S(C)(=O)=O)CC2)C1 1509553808 DZDZUKMKEKWETG-FQEVSTJZSA-N 471.631 2.019 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(Cl)nc2)c1 1539043405 QBLXATDNLTWGLK-GOSISDBHSA-N 463.929 2.382 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCCN1CCC)[C@H]1CCS(=O)(=O)C1 1539211634 JNLPJSIYFZFTEE-OALUTQOASA-N 477.034 2.495 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC=CO2)CC1 1539488155 IVLPDTVTEZBWHB-JOCHJYFZSA-N 460.538 2.387 30 10 JEEE C#CCSCCn1c(COc2ccccc2F)nnc1N1CCN(c2nccc(OC)n2)CC1 1539526408 JDWVCZHZZAFIFT-UHFFFAOYSA-N 483.573 2.488 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1ccc(OC)cc1 1539557212 NANVATWGCOWNTH-ZJSXRUAMSA-N 487.626 2.245 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1539595595 DVWOVZXTCHYWAI-HNNXBMFYSA-N 450.341 2.015 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 1539611947 FPYPEPDIKQVJGA-VABKMULXSA-N 482.629 2.253 30 10 JEEE C=CCCOCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@@H](C(=O)OC)C1 1540034279 ZGAJGAKCVIDKNP-QGZVFWFLSA-N 466.542 2.174 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC1(O)CCC1 1540133506 KKWXLXYUHDYTFB-FQEVSTJZSA-N 475.615 2.109 30 10 JEEE C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1540861474 SKGNDRDDBPZIGK-GUDVDZBRSA-N 467.636 2.014 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC(C(=O)N2CCCC2)CC1 1540866258 ICBLHQCUARDOLC-UHFFFAOYSA-N 452.559 2.095 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CCN(C(=O)c2ccco2)CC1 1540907482 YFRRFPAQGOCXBY-UHFFFAOYSA-N 499.593 2.322 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1Cc1nccn1C(F)F 1541909250 AMUZWUSZAUEZJM-ZDUSSCGKSA-N 464.502 2.036 30 10 JEEE Cc1nc(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCS(=O)(=O)CC2)sc1C 1542049209 DJZZGCKOUATWOL-UHFFFAOYSA-N 472.596 2.280 30 10 JEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1ccc(C(=O)N2CCCCC2)cc1 1542344933 HXBPSSZRUBUTPJ-KRWDZBQOSA-N 454.552 2.168 30 10 JEEE CN(C)C1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCOC(C)(C)C2)CCOCC1 1552807219 AJKUOWQAJPADEC-UHFFFAOYSA-N 454.575 2.455 30 10 JEEE C=CCC1(NC(=O)CN2C(=O)N[C@@](C)(c3ccc(Br)cc3)C2=O)CCOCC1 1585719754 QOWJEBFOLIDREL-IBGZPJMESA-N 450.333 2.458 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1Cc1nnnn1CC1CC1 1587632038 ICGVCMJBPUWOJG-MRXNPFEDSA-N 469.594 2.295 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCN(CCc2ccccc2)C1 1587640203 QBPRCLKTHCTWRK-ILWGZMRPSA-N 455.628 2.203 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@@]2(O)CCSC2)CC1 1588762884 OWKHYCOTBDESDN-FQEVSTJZSA-N 480.407 2.470 30 10 JEEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCN(C2CCCCC2)C(=O)C1 1589287528 ARPXQTSIJQHPBJ-UHFFFAOYSA-N 453.385 2.306 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)C(F)(F)F 1595219496 VCHKBPBLGCGYAB-CQSZACIVSA-N 451.515 2.378 30 10 JEEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCN(C(=O)c2ccccc2OCC)CC1 1595550527 FSNBFSYVQCJLKT-UHFFFAOYSA-N 454.575 2.140 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1595784869 LWTMCVMCGHDOCN-AEFFLSMTSA-N 476.603 2.290 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1595805201 LVDGBLPXKBHXOO-IUKKYPGJSA-N 478.590 2.382 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1595831223 NYUYANPMAXRDRQ-FUMNGEBKSA-N 482.647 2.182 30 10 JEEE C[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](C#N)C1)N(C)Cc1ccccc1 1611477178 CAAIJXMFTPUHSD-AZUAARDMSA-N 460.542 2.175 30 10 JEEE CCNC(=O)C(C)(C)Cn1c(COCC)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1615918484 GNAKTAVCQVHVRD-UHFFFAOYSA-N 457.554 2.314 30 10 JEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCCC[C@H]2NS(=O)(=O)C2CC2)cc1 1622886970 ZTSANYBTCYJMTA-RTBURBONSA-N 470.617 2.008 30 10 JEEE COc1ccccc1[C@H](C)N(C)C(=O)CN1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1652861425 BJBYILWJIPAAFQ-SFHVURJKSA-N 456.568 2.093 30 10 JEEE COC(=O)c1cc(S(=O)(=O)NCC2(C#N)CCOCC2)c(Br)cc1Cl 1664778209 DZFUAFHYJXCZKW-UHFFFAOYSA-N 451.726 2.488 30 10 JEEE C#CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN2C(=O)OC[C@H]2C1 1689928785 WUZLUEKEUUAZFS-QZTJIDSGSA-N 458.563 2.447 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1Cc1cc(C)no1)[C@H]1CCS(=O)(=O)C1 1689981877 CVCYKRZIILLUJC-HNNXBMFYSA-N 493.387 2.018 30 10 JEEE C#CCN(c1nnc(-c2ccccc2)n1CC(=O)N(C)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 1689984293 MWTJKDXFYQSLAA-NRFANRHFSA-N 469.611 2.363 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2Cc2ccc(NC(C)=O)nc2)CC1 1690110548 QERUYBVOZXCXFG-UHFFFAOYSA-N 486.580 2.304 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H](C(C)C)N2CCCC2)CC1 1690113386 ICFXMFKIVMXZOL-RDGATRHJSA-N 458.651 2.194 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCc1nccs1 1690246452 UQTIOEQLDSOKHH-BQFCYCMXSA-N 451.618 2.297 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1690247408 AKKKTLHFJFXRCK-JLMWRMLUSA-N 477.606 2.459 30 10 JEEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1690660380 GICPRGKGLPXHSU-XZOQPEGZSA-N 465.646 2.338 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CCC(N2CCNC2=O)CC1 1690717308 BLYVWOVYKSRILV-UHFFFAOYSA-N 479.006 2.193 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1690725359 NKUZEYRDPTZDMG-UHFFFAOYSA-N 480.723 2.462 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCNC(=O)OC(C)(C)C 1692661557 IDKMCBVWBYGLDZ-HNNXBMFYSA-N 466.546 2.455 30 10 JEEE CC[C@H](C)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N(C)C)CC1)OC 1693955725 BURYDWRROHCSHM-GHTZIAJQSA-N 453.591 2.088 30 10 JEEE CCCN(CC)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1695314877 IBBIPYNACDBCPZ-JOCHJYFZSA-N 464.618 2.155 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@H]2CCC[C@@H](O)C2)c1 1705504186 PDKZLILPDZUGCZ-AZUAARDMSA-N 452.559 2.024 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@@H](C)Oc1ccccc1)[C@H]1CCS(=O)(=O)C1 1705560068 CYXBYXMUFUJBCQ-NMMYMHLASA-N 488.610 2.024 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(C#N)o1)[C@@H]1CCS(=O)(=O)C1 1705562782 KDZKLOLFCKDVLT-OAHLLOKOSA-N 456.915 2.133 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H](C)N1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1705563585 AMTBXYIWHGXDRW-CTNGQTDRSA-N 456.616 2.087 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1=CCCOC1 1705597858 SOKHVZKBHXVIJX-HXUWFJFHSA-N 455.559 2.396 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1705633179 LEXKFNPMIUXZFX-RTBURBONSA-N 475.590 2.137 30 10 JEEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@H](C(C)C)C1 1705655213 HQJWJBRYFHIFOK-HXUWFJFHSA-N 477.656 2.423 30 10 JEEE C=CCCCn1c(Cc2ccccc2OC)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1705820515 OZFBRVHLNYFHRT-UHFFFAOYSA-N 454.575 2.418 30 10 JEEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)CN1CCN(CC)CC1 1705843938 RKZUDPRTEMBJOY-SFTDATJTSA-N 491.681 2.482 30 10 JEEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1705888431 XOMVZEBLHMOWRD-HNNXBMFYSA-N 472.537 2.454 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1705895573 LLNSBUQEDYVPST-ZDUSSCGKSA-N 459.352 2.065 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@@H](C(F)(F)F)C1 1705898717 VKSINLUYZCVMIO-OAHLLOKOSA-N 461.452 2.002 30 10 JEEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC(Nc2ccccc2Cl)CC1 1705907618 RWWZAOCFMWCHBN-UHFFFAOYSA-N 471.993 2.437 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCC(OC[C@H]2CCOC2)CC1 1705935230 KRSYNKKNQKCKKB-SFHVURJKSA-N 454.637 2.489 30 10 JEEE CC(C)(C)S(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1706185769 ACDNTIXYFLMTMA-FQEVSTJZSA-N 481.582 2.398 30 10 JEEE C[C@H]1CN(C(C)(C)Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCN2CCOCC2)C[C@H](C)O1 1708144841 GXYFURKBPDZBIC-SFTDATJTSA-N 481.645 2.473 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OCC)CCOC3)n2CCN2CCSCC2)c1 1722304770 GSOYUHDIFGSYOB-RUZDIDTESA-N 498.653 2.035 30 10 JEEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(N2CCC(CO)CC2)cc1 1722342528 QUEBJHRHBALZSN-UHFFFAOYSA-N 459.554 2.252 30 10 JEEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CC1CCCCC1)[C@H]1CCS(=O)(=O)C1 1722365467 OILBCQAWEZQUGF-SIKLNZKXSA-N 450.605 2.137 30 10 JEEE C#CCN(c1nnc(-c2nnc(O)c3ccccc23)n1CCC(C)(F)F)[C@@H]1CCS(=O)(=O)C1 1722368647 SJUMLFAXNRPOHO-CQSZACIVSA-N 476.509 2.266 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1722433116 LSDJCMMXEBNDEL-QGZVFWFLSA-N 474.407 2.049 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(N(CC)CC)nc2)CC1 1722448695 XLGRWRUJEROYQT-OAQYLSRUSA-N 465.602 2.037 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(Cc2cn3ccccc3n2)n1CCCN(C)S(=O)(=O)CC 1722472354 IVUKJOBAPCYGAM-HSZRJFAPSA-N 469.615 2.180 30 10 JEEE C=C(Br)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(Cc2cc(C)no2)CC1 1722477347 GFMALPOEDAWFCS-UHFFFAOYSA-N 487.362 2.453 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccsc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1722509353 MUBPVZCVMATCQH-FXAWDEMLSA-N 465.645 2.430 30 10 JEEE C=C(C)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1722519532 KCCRCDIPEPUQKV-UHFFFAOYSA-N 458.544 2.170 30 10 JEEE C=C(C)COCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1722529807 DEKMZWMYEFKICH-UHFFFAOYSA-N 498.584 2.466 30 10 JEEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 1722533906 DWXMTARVRGGCQD-UHFFFAOYSA-N 453.522 2.373 30 10 JEEE C=C1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1722565792 BQQWZMLNIXCBCP-QHCPKHFHSA-N 495.646 2.099 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)c2c(F)cccc2Cl)CC1 1722703109 VNSCJLWMFBFXQN-QGZVFWFLSA-N 476.940 2.187 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2C[C@@H](C)[C@@H](F)C2)cc1 1722704015 AFAVHFRRLROGKN-UXPWSPDFSA-N 479.578 2.018 30 10 JEEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@](C)(O)CCC(C)C 1729068740 BITYSTXCRCCQAK-WZONZLPQSA-N 456.595 2.379 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCCN1CCC[C@@H]1CO 1740539943 SCOJJYPJBLYDDR-AZUAARDMSA-N 459.616 2.043 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccn2C)n1CCN1CCN(C(C)=O)CC1 1740677988 WSOJLECODZOFGU-UHFFFAOYSA-N 463.561 2.227 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OC)n2CC2([S@](C)=O)CCC2)CC1 1740707516 FRVJSJYLQHJLBO-DHUJRADRSA-N 499.637 2.133 30 10 JEEE C=C(Br)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1740739367 YTDPOOPFLTVLLQ-IBGZPJMESA-N 496.387 2.288 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccc2OC)nnc1N1CCN(C(=O)COC)CC1 1740759485 JPHKGNDNAOIVAY-YKSBVNFPSA-N 469.586 2.154 30 10 JEEE C=CCC(C)(C)Cn1c(-c2noc3c2COCC3)nnc1N1CCC(CNS(C)(=O)=O)CC1 1740847820 UZNJTNIGWBPECV-UHFFFAOYSA-N 478.619 2.374 30 10 JEEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1740964124 IOUXPLRCZROKMH-SJORKVTESA-N 450.584 2.246 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1740987369 FOIQQQZVDYXILN-IUKKYPGJSA-N 471.583 2.190 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCC(Cn2cncn2)CC1 1740988398 CZICVICNZLGICT-UHFFFAOYSA-N 471.587 2.063 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 1740990935 KCMYRVWIAUXQRC-FQEVSTJZSA-N 499.703 2.367 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1740992905 PHELOJGNUFCSOX-IBGZPJMESA-N 480.034 2.476 30 10 JEEE CCOCc1nnc(N2CCN(c3oc(C4CC4)nc3C#N)CC2)n1CC(C)(C)CN(C)C 1747187322 HVWRUCQOFSQWLF-UHFFFAOYSA-N 456.595 2.466 30 10 JEEE CCS(=O)(=O)N(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](COC)C1 1747425395 GNPJFRSIVRUBEX-IBGZPJMESA-N 460.604 2.351 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)(C)C)n2CC2(N(C)C)CCOCC2)n1 1748970929 XQDBGWOMDLRSNY-UHFFFAOYSA-N 457.623 2.169 30 10 JEEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1749083016 ALFNHFBICWYJHJ-HNNXBMFYSA-N 455.401 2.014 30 10 JEEE C=CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCS(=O)(=O)CC=C 1749484919 KQXUOWAESFDZTI-UHFFFAOYSA-N 456.572 2.459 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1749677501 AYYCVTJHXJYBPM-NQIIRXRSSA-N 480.613 2.419 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@@H](c3cnn(C)c3)C2)cc1 1749683008 GKZAJSSHCIBCMQ-OAQYLSRUSA-N 465.558 2.341 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC(CNC(C)=O)CC1 1749724689 LMFVIYYBVZZPSC-UHFFFAOYSA-N 497.625 2.289 30 10 JEEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1749741004 MVHIHKMAQCZBEL-GOSISDBHSA-N 457.604 2.146 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2ccccc2F)n1CCN1CC=CCC1)[C@H]1CCS(=O)(=O)C1 1760181531 WZYSFQPBTMZZIZ-UXHICEINSA-N 487.601 2.446 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1CC(C)(C)SC)[C@@H]1CCS(=O)(=O)C1 1760183647 CMUSABGCOWYHJH-QGZVFWFLSA-N 476.624 2.485 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1CCc1ccccn1)[C@@H]1CCS(=O)(=O)C1 1760191163 BURYUONDWFHSRM-OAQYLSRUSA-N 465.579 2.430 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCCN(C)[C@H]1c1cccs1 1760248667 PSSFVSGVAICKHW-LVCYWYKZSA-N 456.616 2.460 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2CCCSC2)CC1 1760265783 JFPCSRUKQPUEQO-DVECYGJZSA-N 475.659 2.428 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2CCNC(=O)C(C)(C)C)CC1 1760273556 YERAYWQWVTVRDW-UHFFFAOYSA-N 484.576 2.124 30 10 JEEE C#CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(CCOC)[C@H](C)C1 1760281240 LXFLVECKBXLARJ-NQIIRXRSSA-N 457.600 2.314 30 10 JEEE C=C(Br)Cn1c(-c2cccnc2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1760304795 HFELQLMKXLPPPM-UHFFFAOYSA-N 462.396 2.239 30 10 JEEE C=C(C)Cn1c(COc2ccc(OC)cc2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1760348021 NABDLRVUTOGYNU-UHFFFAOYSA-N 454.575 2.186 30 10 JEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 1760356491 ONVHNHZCINIWFT-HXUWFJFHSA-N 458.607 2.297 30 10 JEEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)CC1CN(C(=O)OCc2ccccc2)C1 1760365532 BCAWRBPFJXJERT-INIZCTEOSA-N 497.021 2.346 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)c1c(C)noc1C 1760495690 URONNZMFGJCSNS-MAUKXSAKSA-N 464.592 2.198 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1760503135 ABFONJGFSFCQII-VAMGGRTRSA-N 467.636 2.015 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H]1c1ccc(OC)cc1OC 1760515242 TXIPJBVGKWHTPD-SFHVURJKSA-N 456.547 2.077 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1760549169 XRCINJSYKLOLDJ-ZHRRBRCNSA-N 477.562 2.017 30 10 JEEE C[C@H](CC#N)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCC(=O)NC1CC1 1761362698 GXIAELRHWMMVMV-QGZVFWFLSA-N 451.579 2.249 30 10 JEEE CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](OC)C2CC2)CC1 1762054304 FSFXVADFHYCPPA-PGRDOPGGSA-N 465.602 2.278 30 10 JEEE CC[C@H](C)[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1763396939 DUNDLBDYVCYGDL-FNZWTVRRSA-N 479.629 2.358 30 10 JEEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1CC1(N2CCCC2)CCOCC1 1767571230 DFMXQPXMVOPLAC-IBGZPJMESA-N 465.602 2.280 30 10 JEEE COc1cc(N2CCN(C(=O)[C@@H]3SCC(=O)N(C(C)C)[C@@H]3c3ccc(C#N)cc3)CC2)nc(C)n1 1889715730 RBEGIWAUULTIDQ-DNQXCXABSA-N 494.621 2.408 30 10 JEEE CC(C)N1C(=O)CS[C@H](C(=O)N2CCN(c3ccnnc3)CC2)[C@@H]1c1ccc(C#N)cc1 1890277043 DFLMGWCYRJPUTI-VXKWHMMOSA-N 450.568 2.091 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@H]2[C@H](C(=O)NCc3cccc(B4OC(C)(C)C(C)(C)O4)c3)[C@H]21 2180981558 VOOOPXRNDXVWOO-GUDVDZBRSA-N 458.364 2.236 30 10 JEEE C[C@@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)N(C)Cc1cc(B2OC(C)(C)C(C)(C)O2)cs1 2256613920 KOMRCFRHISBLOW-CJNGLKHVSA-N 454.398 2.280 30 10 JEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O 2267137107 KOQMBBIPBVHQMT-ZBFHGGJFSA-N 466.409 2.313 30 10 JEEE CC[C@H](CN(CC)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)NC(=O)OC(C)(C)C 2267176542 BHQTUHYSDNZWAE-OAHLLOKOSA-N 450.389 2.485 30 10 JEEE CC(C)(C)OC(=O)N1CCSC[C@@H](NC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2267265395 FNIRLEFWJSSJCW-HNNXBMFYSA-N 463.409 2.463 30 10 JEEE Cc1cc(S(=O)(=O)NCC2CN(C(=O)OC(C)(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2267355530 ZGAPJUOPUSBSOH-UHFFFAOYSA-N 466.409 2.439 30 10 JEEE CC(C)[C@H](CNC(=O)OC(C)(C)C)NS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2267376153 RICSLSZPGWUECV-KRWDZBQOSA-N 469.413 2.208 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@@H]2NS(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2267376394 VBGIGKCEPKAKMC-FHLIZLRMSA-N 464.393 2.272 30 10 JEEE CC(C)(C)OC(=O)N[C@](C)(CO)CNC(=O)c1cccc(F)c1B1OC(C)(C)C(C)(C)O1 2267414289 MGWTUCMSYFMPGQ-QFIPXVFZSA-N 452.332 2.130 30 10 JEEE COC[C@@H](ONC(=O)OC(C)(C)C)C(=O)NCc1sc(C)cc1B1OC(C)(C)C(C)(C)O1 2268632097 GKJRKQPVROQKSH-OAHLLOKOSA-N 470.397 2.443 30 10 JEEE CC(C)n1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O 2281821981 HIKKCHYALLVLJX-WMZOPIPTSA-N 463.384 2.078 30 10 JEEE Cn1nc(C(=O)N[C@H]2CC[C@H]3CC[C@H]2N3C(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2281975935 UTMOVWDRYXGHFG-YQQAZPJKSA-N 460.384 2.380 30 10 JEEE Cn1nc(C(=O)N2CC[C@H]3[C@@H](CCN3C(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2281979009 AYDUUDYRFJYGCC-RDJZCZTQSA-N 460.384 2.191 30 10 JEEE CCc1nn(C)c(C(=O)NC2(CNC(=O)OC(C)(C)C)CCC2)c1B1OC(C)(C)C(C)(C)O1 2281980797 WEVQEVUHNBBEHH-UHFFFAOYSA-N 462.400 2.459 30 10 JEEE Cc1ccc(C(=O)N2C[C@@H](O)C[C@H](NC(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2282120580 JBTKBCSIPYLKFJ-ROUUACIJSA-N 460.380 2.394 30 10 JEEE COC(=O)C1(NC(=O)OC(C)(C)C)CC(NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2282204396 JEHSFGUUOSMHGM-UHFFFAOYSA-N 480.392 2.376 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@](CO)(NC(=O)c2cc(F)ccc2B2OC(C)(C)C(C)(C)O2)C1 2282412701 TZPSHNUSPWBKLW-QHCPKHFHSA-N 464.343 2.227 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC12CC(CNC(=O)OC(C)(C)C)C2 2282529125 BIHNUPYAKSRAQC-UHFFFAOYSA-N 460.384 2.239 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2C[C@@H]3[C@H]2CCN3C(=O)OC(C)(C)C)n1 2282537094 LRPHSGGKRYQOTK-YQQAZPJKSA-N 460.384 2.095 30 10 JEEE Cc1c(C(=O)N[C@H](C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282592574 FIBWTWNTTKZPSC-GDBMZVCRSA-N 462.400 2.403 30 10 JEEE CN(CCN1CCN(C(=O)OC(C)(C)C)CC1)C(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2282620575 GXXBZTPDYQWWDB-UHFFFAOYSA-N 480.440 2.067 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)s1)[C@H](O)C(F)(F)F 2284061103 UVGGZAOLGCVREZ-KGLIPLIRSA-N 494.341 2.480 30 10 JEEE COc1ccc([C@@H]2C(=C(O)c3ccccc3)C(=O)C(=O)N2CCN2CCOCC2)cc1OC 2297739630 IOPKYFGPDBBFST-JOCHJYFZSA-N 452.507 2.458 30 10 JEEE O=C(O)c1[nH]c2ccccc2c1C=Nn1c(S)nnc(Cc2ccccc2[N+](=O)[O-])c1=O 2321658186 XDANQLGUTCNMOL-UHFFFAOYSA-N 450.436 2.488 30 10 JEEE COc1ccccc1C=Nn1c(SCC(N)=O)nnc1[C@H]1CC(=O)N(Cc2ccccc2)C1 2325918014 NUYAROOQLNNUCW-SFHVURJKSA-N 464.551 2.262 30 10 JEEE COc1ccc(CCc2nnc(SCC(N)=O)n2N=Cc2ccc3c(c2)OCCO3)cc1OC 2326183044 ZNIVBHTWIDAAAO-UHFFFAOYSA-N 483.550 2.311 30 10 JEEE CC(C)N1C[C@H](c2nnc(SCC(=O)NCc3ccco3)n2N=Cc2ccco2)CC1=O 2329022025 ZOOUBMKHABMFDL-OAHLLOKOSA-N 456.528 2.479 30 10 JEEE CC(C)(C)OC(=O)NCC(=O)NCC(=O)N1CC(B2OC(C)(C)C(C)(C)O2)=CCC1(C)C 2337340605 IBXXGWZMOJJBDT-UHFFFAOYSA-N 451.373 2.196 30 10 JEEE CO[C@@H](CNC(=O)OC(C)(C)C)CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1F 2339943272 NLTLDVALALMUFM-OAHLLOKOSA-N 452.332 2.394 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1C[C@@H]2CC[C@H]1N2C(=O)OC(C)(C)C 2359268604 YAOCODDPELBFIB-HLLBOEOZSA-N 460.384 2.237 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H]3C[C@]3(CNC(=O)OC(C)(C)C)C2)n1C 2362341115 QWOIJTLTYPMAIF-WNSKOXEYSA-N 460.384 2.015 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2CCC[C@]2(NC(=O)OC(C)(C)C)C1 2362345110 ABVKVUREWTYKBE-WNSKOXEYSA-N 460.384 2.239 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 2362353959 ZXLUQCRKDBSWIA-GJZGRUSLSA-N 460.384 2.095 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1C[C@@H]2[C@@H]1CCN2C(=O)OC(C)(C)C 2362355077 YASVWLOJYAKPJX-ARFHVFGLSA-N 460.384 2.095 30 10 JEEE CC(C)[C@](C)(C#N)NC(=O)COC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 11243419 DZMIMWZWFUXVFQ-FQEVSTJZSA-N 455.964 2.338 30 10 JEEE COCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1-c1ccc(OC(F)F)cc1 480122762 CUNGFDXFTJQTKK-UHFFFAOYSA-N 485.512 2.156 30 10 JEEE C#CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1C[C@H](OC)[C@H](OC)C1 1286323193 GYYRUOAINRIPIS-BGYRXZFFSA-N 450.543 2.328 30 10 JEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC([C@H](O)c2ccc(F)cc2)CC1 1286343074 UBAXRQJGIGWHEA-OXQOHEQNSA-N 463.579 2.391 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCCS1)[C@@H]1CCS(=O)(=O)C1 1286391975 KJNWPRYHRSQUSE-SJORKVTESA-N 451.643 2.156 30 10 JEEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1CCc1noc(CC)n1)[C@H]1CCS(=O)(=O)C1 1286396471 PWFFQASIILUWIM-IBGZPJMESA-N 498.609 2.289 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCCO2)n1Cc1cccc(NC(=O)[C@H]2CCCO2)c1 1286469031 CKGGOGYLOJNZJI-NHCUHLMSSA-N 453.543 2.381 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCCO[C@H]2C(C)(C)C)CC1 1286490311 KIOZXVSMFODRMS-IRFCIJBXSA-N 470.618 2.036 30 10 JEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C(=O)NCCCC)CC[C@H]1C 1286495505 XTNFKTQGKYSSGS-MOPGFXCFSA-N 460.648 2.402 30 10 JEEE C#CCSCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCS(=O)(=O)CC1 1286500972 IPHFVVIITKOESM-UHFFFAOYSA-N 485.429 2.317 30 10 JEEE C#CCSCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCN(CC(=O)NCC)CC1 1286504918 WQJYHZMYHOXKJM-UHFFFAOYSA-N 451.600 2.051 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCN(C)CCOC 1286522425 KACATSXMNVGURP-YADARESESA-N 476.622 2.157 30 10 JEEE C=C(Br)Cn1c(-c2noc3c2COCC3)nnc1N1CC[C@@H](OCCOC)C1 1286537938 GNKLMPYMHMYBPJ-CYBMUJFWSA-N 454.325 2.156 30 10 JEEE C=C(C)COCCn1c(-c2ccc(OC)cc2OC)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1286604016 NDDVLTXTSQNJMA-INIZCTEOSA-N 450.561 2.178 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cc(C(C)(C)C)no2)CC1 1286645579 FTLQOHKYJFKMSP-QGZVFWFLSA-N 464.592 2.101 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1cccs1)N1CCOCC1 1286757075 FFSFHDYUNHONJZ-OALUTQOASA-N 477.656 2.494 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1286780217 RGRORWWDQDHWQQ-CQSZACIVSA-N 470.883 2.406 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCNc2nccc(C(F)(F)F)n2)C1 1286799336 UWCBUJDVIOIQEI-HNNXBMFYSA-N 480.495 2.216 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1286815188 NZDSIIVSMRZLDS-JKSUJKDBSA-N 452.920 2.313 30 10 JEEE CCN(c1nnc(-c2cccc(C#N)c2)n1CCCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1295173428 CKCUHLHBMOZFTA-HXUWFJFHSA-N 453.572 2.425 30 10 JEEE CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCC(=O)Nc1ccccc1 1297279153 CALWSMGJLLDQOR-UHFFFAOYSA-N 460.542 2.437 30 10 JEEE CN(CCn1c(-c2cnccn2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1)CC(F)(F)F 1298705356 FVCQMWNFQPZFNV-UHFFFAOYSA-N 485.518 2.423 30 10 JEEE C#CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](C(=O)OC)C1 1300362979 BLJMUZSYDYKRFX-ZWKOTPCHSA-N 461.563 2.389 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1300484833 SCGICSXAZZANMQ-NJYVYQBISA-N 488.610 2.077 30 10 JEEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](CC=C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1300491144 FBJONNXWNFHGRK-HBMCJLEFSA-N 467.595 2.216 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H]1N(C)CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1300499927 ZPDDYSKYHGQAQW-SFTDATJTSA-N 470.643 2.011 30 10 JEEE C#CCN(c1nnc(CCCc2ccccc2)n1CCN1CCOCC1(C)C)[C@H]1CCS(=O)(=O)C1 1300501220 HWQJRYUCPPCCPL-QHCPKHFHSA-N 499.681 2.191 30 10 JEEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1C[C@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1300504826 UAOXDVDOTBVSMM-AUSIDOKSSA-N 460.600 2.262 30 10 JEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@](C)(O)c1cccs1 1300534953 GFESWQGGWQRGLO-DEOSSOPVSA-N 461.595 2.494 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1C[C@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1300664779 FSVVSTOTUWIUMH-IVAOSVALSA-N 489.617 2.283 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@@](C)(O)c2cccs2)CC1 1300719594 HVNYEEJYVQTJBO-HSZRJFAPSA-N 452.584 2.219 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1300872616 GIMYMIOQTVYQCP-NEWSRXKRSA-N 473.578 2.447 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C1CCN(CCC)CC1 1300886048 VIWJESNGCGYMIT-SBHAEUEKSA-N 465.664 2.472 30 10 JEEE C=C(C)COCCn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1300974868 OJKXJHSGFRZUSK-GOEBONIOSA-N 463.380 2.354 30 10 JEEE C=C(C)COCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1300994267 QMJCCLYVCAMURA-IBGZPJMESA-N 458.588 2.123 30 10 JEEE C=C1CCN(c2nnc(C(=O)N3CCCC3)n2CC[C@H](N2CCOCC2)C(F)(F)F)CC1 1301058936 LSYYHAFYQAVELD-KRWDZBQOSA-N 456.513 2.324 30 10 JEEE C=CCCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCNC(=O)CC1 1301194335 IUQVCHKRZPFMKM-UHFFFAOYSA-N 451.619 2.325 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1301483935 YLAIATHKNLVKIJ-UHFFFAOYSA-N 452.559 2.237 30 10 JEEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC=C(Br)C1 1301496821 HQCKCZJOKIZWSV-UHFFFAOYSA-N 494.419 2.029 30 10 JEEE CCOc1ccc(S(=O)(=O)NCC(=O)O[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)cc1 1317785635 AVZVPQYVJWJLCO-ZDUSSCGKSA-N 477.564 2.356 30 10 JEEE N#C[C@@H]1CSCCN1C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 1357871146 BAQYFOPSZCZAFG-DZGCQCFKSA-N 458.403 2.317 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2C[C@H](C)CN2CCOCC2)c1 1358901284 FYRBYVIUBNVGFY-HXUWFJFHSA-N 475.597 2.308 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CCOc2ncccc2F)c1 1358902530 QYBGZAAYYMYDGT-UHFFFAOYSA-N 474.500 2.348 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCc1cccc(F)c1F)[C@H]1CCS(=O)(=O)C1 1358967871 USFJKKHAYFQWCT-WFXMLNOXSA-N 494.564 2.150 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)c1ccc(OC)cc1 1358993982 BAVHMNOOYBWKEL-QFIPXVFZSA-N 499.637 2.060 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)c1ccccc1F 1359010206 JXMHEBWEIOLPKJ-LJQANCHMSA-N 463.579 2.187 30 10 JEEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1359050337 NYUPZDVYRYVWQZ-QGZVFWFLSA-N 493.431 2.230 30 10 JEEE C#CCSCCn1c(COc2ccccc2F)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1359061128 SAQYWYVEYXJKAL-INIZCTEOSA-N 452.577 2.376 30 10 JEEE C=CCCCCn1c(-c2ccccn2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1359200696 NUFHTHTVBWXYRG-LJQANCHMSA-N 460.604 2.327 30 10 JEEE C=CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1359284475 QVGOAPIJRFEZBG-YLJYHZDGSA-N 484.601 2.146 30 10 JEEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@@](C)(CC)C1 1359292950 BUMOREOLIOATIP-JOCHJYFZSA-N 459.620 2.475 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1359296112 XGJGMLSWYRJTBA-DEOSSOPVSA-N 484.557 2.074 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1359304645 DXKBAJBILOXILM-GOSISDBHSA-N 484.601 2.299 30 10 JEEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(C)o1 1359342847 GGXGWFULGAAXMN-KRWDZBQOSA-N 455.606 2.068 30 10 JEEE C=CCSCCn1c(COc2ccc(F)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1359345678 MXGGOCCJIHQHAM-SFHVURJKSA-N 474.562 2.388 30 10 JEEE CCOC(=O)CNC(=O)[C@H]1COCCN1C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 1467491917 AJGQZOJHMQXXMA-LJQANCHMSA-N 455.442 2.010 30 10 JEEE CC[C@H](C)[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1494940624 FWZGFAYNGLQPLC-WSNOQYBDSA-N 496.612 2.353 30 10 JEEE CCNC(=O)C(C)(C)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1502384109 HJKTZQKDOUARQH-SFHVURJKSA-N 469.565 2.282 30 10 JEEE CNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)c2cccs2)CC1 1503767498 AKQFQGGJZRDQIF-UHFFFAOYSA-N 493.593 2.183 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OCc2ccccn2)cc1 1507518702 WNDOOSHTOZSIMQ-MSOLQXFVSA-N 468.583 2.369 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1507541812 IJJUNLCXLPVUAG-SQNIBIBYSA-N 484.605 2.074 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CC[C@H]2CCCCO2)c1 1507550670 OMOKNTMUUZAPIM-WOJBJXKFSA-N 450.543 2.245 30 10 JEEE C#CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1507592504 SFFKZIDJMZYXHI-QZTJIDSGSA-N 465.620 2.429 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1CCOc1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 1507629537 NHCWDHMSPCTAJW-LJQANCHMSA-N 453.568 2.298 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1cccc(CN(C)CC)c1)[C@H]1CCS(=O)(=O)C1 1507633413 DKFWNJSNKPNKAM-DEOSSOPVSA-N 492.649 2.391 30 10 JEEE C#CCN(c1nnc(COc2ccccc2OC)n1CCc1ccccn1)[C@@H]1CCS(=O)(=O)C1 1507637885 NEFAWNOSZUZSPB-HXUWFJFHSA-N 481.578 2.130 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CCn1cc(Cl)cn1)[C@H]1CCS(=O)(=O)C1 1507640612 ULQJIKXMEGKENU-SFHVURJKSA-N 492.964 2.173 30 10 JEEE C#CCSCCn1c(-c2ccc(Br)s2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1507749134 UDHHYKOGWGDOAA-AWEZNQCLSA-N 484.445 2.477 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CCO)Cc1ccccc1OC 1507797879 MQLQFFGBHQCKEG-URVUXULASA-N 490.626 2.169 30 10 JEEE C=C(C)Cn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](C(=O)OC)[C@H](CNC(=O)OC(C)(C)C)C1 1507832102 NIBBNEQPXAMIDI-KZNAEPCWSA-N 463.579 2.498 30 10 JEEE C=CCCOCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCCN(S(C)(=O)=O)CC1 1507958837 ZGDXVKJZUHFYGN-UHFFFAOYSA-N 487.424 2.100 30 10 JEEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](c2cccc(F)c2)C1 1507964830 MAMNSOWWOYQYPD-CTNGQTDRSA-N 493.605 2.337 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN([C@@H](C)c2nc(C(C)C)no2)CC1 1508090997 QXIUAIMDUZIBQF-ROUUACIJSA-N 472.594 2.212 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1508093340 USUAEBAWOIKECG-RUZDIDTESA-N 466.586 2.316 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1508106751 WKCNLFJZRHHIKE-MSOLQXFVSA-N 475.615 2.385 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccnc(OC3CCOCC3)c2)C1 1508110868 VAUVSQGTDTWPRR-HXUWFJFHSA-N 470.574 2.199 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCOC2(CCC2)C1 1508136680 VOGUAYDXUSCYRM-UHFFFAOYSA-N 462.572 2.322 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1508145263 YPWGFWVWRMPZGV-WZONZLPQSA-N 478.590 2.383 30 10 JEEE CC(C)CC(=O)Nc1cccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@@H](C#N)C2)c1 1509095404 CGWKZWKOTRQDPH-FQEVSTJZSA-N 465.558 2.276 30 10 JEEE C[C@H](Oc1ccccc1F)c1nnc(N2CCO[C@H](C#N)C2)n1CCS(=O)(=O)CC1CC1 1510279701 CMZYLENCHLQBFC-DOTOQJQBSA-N 463.535 2.111 30 10 JEEE CCCNC(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(CC#N)CC1 1515064112 HAJFJHZWOKYSSB-UHFFFAOYSA-N 462.558 2.238 30 10 JEEE CCNC(=O)C(C)(C)Cn1c([C@H]2CCCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1515982263 AFPBZIVLMDLLAU-IEBWSBKVSA-N 481.605 2.059 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccc(C)n3)n2CCc2n[nH]c(C)n2)c1 1539040338 RDZNCVYVAJXZGU-UHFFFAOYSA-N 455.526 2.374 30 10 JEEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1539097479 OGXUTRCHRPULDC-INIZCTEOSA-N 476.423 2.486 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CCc1cc(F)cc(F)c1)[C@@H]1CCS(=O)(=O)C1 1539202420 IFMZWORTNCCSGV-HXUWFJFHSA-N 493.580 2.344 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[C@H](C)N(C)Cc2ccccc2)CC1 1539477731 WVYLGWJQXNBICP-REWPJTCUSA-N 491.640 2.106 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@H](Cn2cccn2)C1 1539615954 MSZIMIHCOSIAHB-GIVPXCGWSA-N 471.606 2.280 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1540867108 KVRBZCHGFVKYOI-TZIWHRDSSA-N 466.586 2.387 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 1540867703 DWHXJKWHYXKLGI-SFHVURJKSA-N 451.575 2.117 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N(CC)CC1CCN(c2ccccn2)CC1 1540871408 LDJPZRMTSFXAKM-HXUWFJFHSA-N 453.591 2.222 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCN(C)C1CCCCC1 1541803361 GXLIFEHDEIKRSV-AZUAARDMSA-N 481.667 2.004 30 10 JEEE COCCN(C)CCCn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1555522491 ATAWGMDRSAVRHH-FGZHOGPDSA-N 454.575 2.200 30 10 JEEE COC(=O)c1cc(NC(=O)N(CCC#N)CCN2CCOCC2)c(Br)cc1F 1562416325 DMBLRTSOJMRDHJ-UHFFFAOYSA-N 457.300 2.455 30 10 JEEE C=CCn1c(SCC(=O)N2CC[C@H](S(=O)(=O)NC)C2)nnc1-c1ccc(Cl)cc1 1566643628 FSQYJOAWGJZFMZ-HNNXBMFYSA-N 455.993 2.027 30 10 JEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(C(=O)N2CCN(C)CC2)ccc1OC 1583736558 MSZMYZBSQPBOJL-SFHVURJKSA-N 458.559 2.328 30 10 JEEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1c(CC)nn(C)c1OC 1587974975 IDCHFANALPGCND-UHFFFAOYSA-N 460.542 2.097 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CCNC(=O)c1ccco1)[C@@H]1CCS(=O)(=O)C1 1588039655 BPODWVQDWNKZTL-HXUWFJFHSA-N 481.578 2.157 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@](C)(O)c1ccco1)[C@H]1CCS(=O)(=O)C1 1588059455 OLUSFVPRELUCSM-CVDCTZTESA-N 472.542 2.135 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(-n2nc(C)cc2C)nc1 1588079099 RHNWAQFOHWMYLQ-UHFFFAOYSA-N 465.521 2.244 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCCc2cnn(C)c2)CC1 1588733493 VJUAKWIPLSIVIS-UHFFFAOYSA-N 460.586 2.269 30 10 JEEE C=C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2cccc(OCC(N)=O)c2)CC1 1594023160 DXBHPEWPECVJNG-DEOSSOPVSA-N 455.559 2.388 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCN(CC)C(=O)OC(C)(C)C)CC1 1594096824 IXLZCYZTECVEJC-SFHVURJKSA-N 498.650 2.024 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(S(C)(=O)=O)CCC1 1595115305 HNSJIERHOLMHNI-LJQANCHMSA-N 478.640 2.340 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1595506956 RTXHUBMAYMOKLS-HNNXBMFYSA-N 482.507 2.337 30 10 JEEE C[C@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](C#N)C1)c1nccs1 1611498353 BXPZBAKIBUTFSS-ZBFHGGJFSA-N 458.569 2.338 30 10 JEEE CCOC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN(C)C(C)C)CC1 1616000845 CTCFXWHFDOSMDR-UHFFFAOYSA-N 455.563 2.347 30 10 JEEE CCOc1ccc(O[C@@H](C)c2nnc(N3CCO[C@@H](C#N)C3)n2CCC(=O)NC(C)C)cc1 1616416278 FILIBZUWNGGSLF-PXNSSMCTSA-N 456.547 2.460 30 10 JEEE COCC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1619770504 HNUTZTHPOWDEKH-PXDATVDWSA-N 481.601 2.186 30 10 JEEE C=CCOc1ccc(CNC[C@H]2CCn3ncc(C(=O)N4CCN(C)CC4)c3C2)cc1OC 1656153331 WPNVYYOLLYXWOR-FQEVSTJZSA-N 453.587 2.196 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCn1cc(Br)cn1 1689839351 GCGXDEGFUHYLDH-OAHLLOKOSA-N 481.362 2.428 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1COCCC 1689852832 LERKRWILGUVCSG-WIYYLYMNSA-N 475.615 2.044 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)CN1CCOCC1 1689852856 LRYZBKWDXDCXFG-UFYCRDLUSA-N 476.622 2.013 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)Nc3ccccn3)n2Cc2cc(C)no2)c1 1689868932 VRMVKSUKSMDABN-UHFFFAOYSA-N 470.493 2.326 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1C[C@@](C)(O)c1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 1689994073 QPORHXKNOFGIBD-DENIHFKCSA-N 463.003 2.418 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1689997111 WBLMWURFKKCWHY-NRFANRHFSA-N 482.610 2.018 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CCC[C@@H]1C 1690103841 HRVOOPOEMPMAFM-AXHZCLLHSA-N 477.606 2.224 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2OCCC2(C)C)CC1 1690139462 NQMQABLTSDDWIP-OAQYLSRUSA-N 499.637 2.130 30 10 JEEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1690669111 UTESOKAPNKOGKC-CQSZACIVSA-N 475.475 2.233 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC[C@@H](CN3CCCCCC3)C2)nnc1[C@]1(OCC)CCOC1 1690677060 LXOLTSXQDYTUNL-OFVILXPXSA-N 474.650 2.325 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@@H](CC)C1 1690715424 LFNXTJJBQXYCCP-SFHVURJKSA-N 482.006 2.078 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@H](C)Oc1ccccc1OC)[C@@H]1CCS(=O)(=O)C1 1705563651 BPOJNEXDCXXKJQ-RBUKOAKNSA-N 483.594 2.386 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H](C)Oc1ccccc1F)[C@H]1CCS(=O)(=O)C1 1705565153 GRQCJMSNEIWWOI-KURKYZTESA-N 462.547 2.015 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@H](C)CN2CCN(CC)CC2)CC1 1705642834 IZLFCGSLMRPREZ-JOCHJYFZSA-N 483.636 2.025 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CC[C@@H](N2CCOCC2)C(F)(F)F)CC1 1705648688 WJHBGBXODNJNCH-LJQANCHMSA-N 498.594 2.486 30 10 JEEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H]1c1nncn1C 1705663661 BHPUIEDVVSGTIM-OAHLLOKOSA-N 456.601 2.106 30 10 JEEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1705731930 ITMQNGGVFLZABT-WZONZLPQSA-N 476.599 2.326 30 10 JEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](c2ccccc2)N2CCOCC2)CC1 1705763006 NBNRFQZJTTZMAZ-CTNGQTDRSA-N 474.631 2.118 30 10 JEEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCN([C@H](C)c2nc(CC)no2)CC1 1705892145 DOJLEQHZJOFAEB-OAHLLOKOSA-N 456.576 2.284 30 10 JEEE C=CCOc1ccc(Cn2c(Cn3nc(C)cc3C)nnc2N2CCN(C(=O)COC)CC2)cc1 1705910441 BWJQXPLPKNSKOG-UHFFFAOYSA-N 479.585 2.048 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC(=O)NCC(F)F)C1 1705915297 TYQNZPMNRLKKKW-KRWDZBQOSA-N 462.501 2.310 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CC[C@](F)(C#N)C1 1705934668 TWXJDOBPDUZZHE-QHCPKHFHSA-N 499.572 2.279 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CC)CC1CC1 1705936427 QNRLQUOAORNVPS-SFHVURJKSA-N 483.635 2.424 30 10 JEEE CC[C@@H](Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@](F)(C#N)C1)OC 1708776685 DJTLCXWTIYWFRQ-JXFKEZNVSA-N 450.540 2.062 30 10 JEEE CCOCc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CCS(=O)(=O)C(C)(C)C 1710731782 GJKGTVXGVFMAQL-UHFFFAOYSA-N 478.594 2.365 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1CCS(=O)(=O)CC1 1722305986 NOSMXJFYZDTVDA-RYQLBKOJSA-N 465.620 2.332 30 10 JEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2cccc(F)c2)C1 1722317104 QKGGWRIWHCMKHS-SFTDATJTSA-N 491.589 2.132 30 10 JEEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](OCCOC)C1 1722333791 ZNQVTYQBBOZXEX-OALUTQOASA-N 463.579 2.242 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1cc(Br)cs1)[C@@H]1CCS(=O)(=O)C1 1722363276 ZUVWKWQITKGPGI-OAHLLOKOSA-N 495.428 2.178 30 10 JEEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1Cc1cccc(C(=O)NC)c1 1722401350 UOCMETSLFQRZJA-UHFFFAOYSA-N 460.563 2.140 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1cccc(Br)n1 1722424068 ZUPQOOZAOFJJBU-UHFFFAOYSA-N 494.357 2.213 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCn2cc(C)cn2)CC1 1722441372 PEPIZLFXFJEFTP-BGYRXZFFSA-N 468.606 2.009 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2Cc2ccccc2OCCN(C)C)CC1 1722445842 YOQUUKBKZDVOEY-UHFFFAOYSA-N 487.608 2.295 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(OC(C)C)nc2)CC1 1722452690 JHBWHWIYELZXPW-GMAHTHKFSA-N 496.612 2.198 30 10 JEEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 1722523122 BKJMENCELQWMTG-RDJZCZTQSA-N 452.602 2.357 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](O)(c2ccc(C)cc2)C1 1722537368 NGZWVPQJFJALEN-CVDCTZTESA-N 460.600 2.179 30 10 JEEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C2CC2)C(=O)C1 1722552741 UIPJDJAOFWGEPX-INIZCTEOSA-N 466.970 2.150 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1CCN(CC(F)(F)F)CC1 1722867482 GSTWVUBHOUMUFF-GDBMZVCRSA-N 462.542 2.050 30 10 JEEE CCC[C@H](C)C(=O)NCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@@H](C)CC#N 1727925170 CNKFATPTMBSZSE-IRXDYDNUSA-N 464.574 2.483 30 10 JEEE CN(C)S(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C(C)(C)C)C1 1729344698 HZWYCJSRGGJEOR-SFHVURJKSA-N 460.604 2.493 30 10 JEEE CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)c2ncc(C)s2)CCO1 1729679698 BHBQUEJXSPTNST-RDTXWAMCSA-N 451.556 2.337 30 10 JEEE COC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CSCCS2)CC1 1729799156 HDGYUHZWIKLIJS-SFHVURJKSA-N 474.612 2.466 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2ccccc2F)n1CCCn1cccn1)[C@@H]1CCS(=O)(=O)C1 1740616495 BTCWBBICPREDBP-RTBURBONSA-N 486.573 2.471 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1Cc1cccnc1OC)[C@H]1CCS(=O)(=O)C1 1740623957 BCHGQFBEXVSVLI-FQEVSTJZSA-N 469.542 2.087 30 10 JEEE C#CCN(c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCOCC)[C@@H]1CCS(=O)(=O)C1 1740625728 HUPGKDRNKGZDML-LJQANCHMSA-N 495.646 2.056 30 10 JEEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccccc1CN1CCC(O)CC1 1740632755 WPXGWKOSKFHGJV-MUUNZHRXSA-N 491.636 2.397 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C)N(C)c2ccccc2)CC1 1740689355 BZGXKSSUMWSEDQ-HXUWFJFHSA-N 458.570 2.206 30 10 JEEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1740750088 LQAAKHPMVRWDKB-UBDQQSCGSA-N 470.412 2.068 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1740752582 YEUBMUCGQIFIHU-HJNYFJLDSA-N 474.650 2.479 30 10 JEEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1740867247 CCVLNIDBQVLSOY-AWEZNQCLSA-N 451.453 2.396 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc3c(c2)OC(C)(C)O3)C1 1740971914 AFVIIKQWPMNTOR-NVXWUHKLSA-N 477.587 2.225 30 10 JEEE C=CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(NC(=O)COC)CC1 1741002534 JOBIZGJIWTUQRU-HXUWFJFHSA-N 473.599 2.441 30 10 JEEE Cc1cc(NC(=O)CN2CCN(c3nnc(COc4ccc(C#N)cc4)n3CC(C)C)CC2)no1 1742143459 DAJSMENSZUQHHD-UHFFFAOYSA-N 478.557 2.442 30 10 JEEE C[C@H]1CCCCN1CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)C1 1743062677 GVURYLGZYNVVPJ-IBGZPJMESA-N 451.575 2.272 30 10 JEEE CC[C@H](C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCc1ccc(S(N)(=O)=O)cc1 1743748070 BNNWWRITURIUKH-SFHVURJKSA-N 494.625 2.275 30 10 JEEE CCn1cnnc1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@](F)(C#N)C1 1746368354 HXGCVPCGVUTPAH-BTYIYWSLSA-N 459.530 2.452 30 10 JEEE CCN1C[C@H](C)N(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C[C@@H]1C 1746374916 DKJBMUXOHOCWCD-BJLQDIEVSA-N 471.631 2.017 30 10 JEEE CN(C)C(=O)Nc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(CCC#N)CC2CC2)cc1 1747547307 GBTSUBDCLUHTRA-IBGZPJMESA-N 485.614 2.452 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1CC(=C)Br)[C@H]1CCS(=O)(=O)C1 1748808359 KKUHSWXZWCKVIX-INIZCTEOSA-N 495.399 2.498 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@H](C)N1CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1748819665 RECLEMVGDBEAOW-ONTIZHBOSA-N 470.643 2.011 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CCNC(=O)c2ccco2)CC1 1748985016 ZDFYVIGCOPAMNH-UHFFFAOYSA-N 478.553 2.131 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H](CC)NC(=O)OC(C)(C)C)CC1 1749000900 DAOQNOIJRWFSNI-UFYCRDLUSA-N 476.622 2.061 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2CC(=O)NCCc2ccccc2)CC1 1749004061 DOVCLSQRRABGGE-LJQANCHMSA-N 450.587 2.116 30 10 JEEE C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(Cc2nc(COC)no2)CC1 1749175131 NBEAONJTXDJSGE-UHFFFAOYSA-N 477.367 2.463 30 10 JEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccc(C(=O)NCCC)c2)CC1 1749286945 VQKWRALFPPWIMB-QGZVFWFLSA-N 460.604 2.233 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1749649965 DXDKBGIHAXUDAU-UHFFFAOYSA-N 499.579 2.043 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1749663368 BOGYIJOXHLKEDC-QGZVFWFLSA-N 472.594 2.064 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN2CCCC[C@H]2C1 1749727202 PVCYVNHJPMVYDQ-SFHVURJKSA-N 475.615 2.238 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1749731467 DWUNAVWNDKXRLU-HXUWFJFHSA-N 479.647 2.349 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H](c1ccc(C)cc1)N1CCOCC1 1760208269 PAJJRGKAGDOBGH-GVAUOCQISA-N 477.609 2.457 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(Br)c3)n2CCC(=O)NC(C)C)CC1 1760255349 YFNMPPKROGSRFW-UHFFFAOYSA-N 459.392 2.378 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(C)CN(C)C1=O 1760336503 AJZCBWXJMWDNFM-GAJHUEQPSA-N 462.595 2.467 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1760526354 LTNFWZVQUZTCER-FYYLOGMGSA-N 482.629 2.323 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)ccc2Br)nnc1N1CCOCC1 1760550609 CWYIHEXEIUKQIC-UHFFFAOYSA-N 471.377 2.154 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3ccccc3n2)nnc1N1CCC(CNC(C)=O)CC1 1760553265 QCVJOAHNFKUEIM-UHFFFAOYSA-N 482.610 2.447 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CCN2CCCC[C@@H]2C1 1760557586 QIBAETHCEQWIAP-HXUWFJFHSA-N 459.616 2.441 30 10 JEEE CC(C)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)CC1 1760958675 DPMVJZULQWSAJO-UHFFFAOYSA-N 460.604 2.493 30 10 JEEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCOc2cc(NS(=O)(=O)c3ccccc3C#N)ccc21 1858485735 QZVLKCUIUGCQEE-UHFFFAOYSA-N 473.536 2.287 30 10 JEEE C=CCOc1ccccc1[C@@H]1C(C(=O)N2CCC[C@H](CO)C2)=C(N)Oc2c1c(CC)nn2C 1865225900 RHXSPEHOBMOPEE-JXFKEZNVSA-N 452.555 2.473 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCCN(CC)CC)cn1C[C@@H]1CCCO1 1870534488 GMBXOZMGTGMUNX-QFIPXVFZSA-N 460.619 2.038 30 10 JEEE CCCCCCCCn1cc(OCC(=O)N2CCOCC2)c(=O)cc1CN1CCC(O)CC1 1870581867 GSPCUOMALOWIPT-UHFFFAOYSA-N 463.619 2.403 30 10 JEEE COC[C@@H]1CC[C@@H](n2cnc(I)c2I)C[C@@]1(N)C#N 2127236014 OJNDYDZSVOQGKP-YGOYTEALSA-N 486.095 2.301 30 10 JEEE COC(=O)CN(Cc1ccccc1)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2247881363 WPSOGPXWSCUBBK-UHFFFAOYSA-N 451.375 2.411 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N[C@@]2(COC)CCN(C(=O)OC(C)(C)C)C2)C1 2255189964 OHLQGEMARFDFCO-HESYMAFGSA-N 451.564 2.435 30 10 JEEE CN(CCN(C)C(=O)c1nn(C)c(Cl)c1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2255820500 QSKDKFRRZLNDSC-UHFFFAOYSA-N 456.780 2.312 30 10 JEEE Cc1csc(CN(C)C(=O)[C@@H](CO)NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2256625664 ZUNFMMPFIJFFHB-CQSZACIVSA-N 454.398 2.200 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@H](C(=O)NC3CC(B4OC(C)(C)C(C)(C)O4)C3)O[C@@H]2C1 2265142612 HGHOKTOUPLZBLE-IRKLFDGPSA-N 452.357 2.131 30 10 JEEE CC1(C)OB(c2cc(C(=O)NCC3(O)CCN(Cc4ccccc4)CC3)ns2)OC1(C)C 2267152660 OBFVJFCWFUHGDO-UHFFFAOYSA-N 457.405 2.199 30 10 JEEE CC(C)(C)OC(=O)NCCO[C@H]1CCN(C(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)C1 2267162947 DLMGZEPHOBHFLF-AWEZNQCLSA-N 467.397 2.198 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@H](CCNC(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)C1 2267277618 RLHNFWQKOSANAO-HNNXBMFYSA-N 450.341 2.335 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(NS(=O)(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2267375508 IIUFCGRFGDDMEI-IVZQSRNASA-N 464.393 2.274 30 10 JEEE CC(C)N(CCN(C)C(=O)OC(C)(C)C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2267552840 VZUORJHUJMPMJT-UHFFFAOYSA-N 450.389 2.437 30 10 JEEE COCCN(CC(=O)N=c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)[nH]1)C(=O)OC(C)(C)C 2268630932 QQPRUEXLRDYMHM-UHFFFAOYSA-N 469.775 2.278 30 10 JEEE CN1CCN(C(=O)OC(C)(C)C)[C@@H](CNc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2269009635 JVDLKSDTFOJNAP-INIZCTEOSA-N 450.364 2.483 30 10 JEEE CCc1nc(C(=O)N[C@@H](COCc2ccccc2)C(=O)O)c(B2OC(C)(C)C(C)(C)O2)s1 2269068147 BUNKHFIDMCYWRW-HNNXBMFYSA-N 460.361 2.405 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1COC[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1F 2281775553 HGPBHPMFMCPNHL-KSSFIOAISA-N 464.343 2.394 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](C1)CN(C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C2(C)C 2281927317 YFHCEQMZSAJSBQ-GOEBONIOSA-N 460.384 2.426 30 10 JEEE Cc1cc(C(=O)N2CCO[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)oc1B1OC(C)(C)C(C)(C)O1 2281960936 GQTDFKUYDSVIDN-WBVHZDCISA-N 462.352 2.348 30 10 JEEE C[C@@H]1CN(C(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)C[C@@H]1CCNC(=O)OC(C)(C)C 2282049389 YIRGHKQZCZRVNQ-CVEARBPZSA-N 462.400 2.342 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2CCC[C@@]2(NC(=O)OC(C)(C)C)C1 2282051473 IBBODRCTSXKAMQ-NPMXOYFQSA-N 460.384 2.239 30 10 JEEE C[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1S(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2282346563 WVEILYOZRYACSJ-CJNGLKHVSA-N 476.326 2.206 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2cccc(F)c2B2OC(C)(C)C(C)(C)O2)[C@@H](O)C1 2282405389 VNPNXJSJHNOEFN-IRXDYDNUSA-N 464.343 2.225 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2F)C1 2282406190 GTXUBDQPIKCLSY-INIZCTEOSA-N 464.343 2.491 30 10 JEEE CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)NCCN2C(=O)C1(B2OC(C)(C)C(C)(C)O2)CC1 2282546781 NRFAGOVNNPDUMK-UHFFFAOYSA-N 463.384 2.341 30 10 JEEE Cc1nn(C)c(C(=O)NC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2282569219 OHJUVSSQSPODJT-INIZCTEOSA-N 462.400 2.405 30 10 JEEE Cc1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H]3COC[C@H]32)oc1B1OC(C)(C)C(C)(C)O1 2282581387 HJGSYQODCUZCQM-HZPDHXFCSA-N 462.352 2.348 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2Cl)C1 2282610640 ZPRYBCXSNMSNGU-OAHLLOKOSA-N 481.786 2.400 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CCOC[C@H](NC(=O)OC(C)(C)C)C1 2282696119 YQKFXOHBCWFAIW-QGZVFWFLSA-N 463.384 2.173 30 10 JEEE C[C@H]1CN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C[C@]1(C)CNC(=O)OC(C)(C)C 2282706821 RCCQZYBLZCQUMY-WNSKOXEYSA-N 460.384 2.399 30 10 JEEE CN(C)CCCN1C(=O)C(=O)C(=C(O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@@H]1c1ccccc1F 2297747181 HYHFJNKUGWOUIV-NRFANRHFSA-N 489.569 2.449 30 10 JEEE COc1nc(O[C@@H]2CCOC[C@@H]2NC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2339834092 FSUCLGNIEJJLJE-JKSUJKDBSA-N 450.341 2.450 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@@H](C)N(C(=O)OC(C)(C)C)CC2)n1C 2362338807 GZNRROAPIVUQTJ-OAHLLOKOSA-N 462.400 2.499 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CC12CC2 2362358183 WTBDJGXFQGVIRO-OAHLLOKOSA-N 460.384 2.096 30 10 JEEE COC(=O)c1ccc([C@H]2/C(=C(/O)c3c(C)nc4ccccn34)C(=O)C(=O)N2CCN(C)C)cc1 102485347 NZHQEDISHLGBSU-NNWMPZTLSA-N 462.506 2.413 30 10 JEEE C#CCN1C(=O)[C@@H]2[C@H](c3ccc(/C=C/c4ccccc4)cc3)N[C@](CC(=O)O)(C(=O)O)[C@@H]2C1=O 247963539 ASBPQLJSSLFDNZ-XWPSLPDSSA-N 458.470 2.034 30 10 JEEE CCN(CC)c1ccc([C@H]2N(C(=O)C[N+](=O)NOC)[C@@H](C)CN2S(=O)(=O)c2ccccc2)cc1 585088900 JCFXYESUQQUFOP-FDDCHVKYSA-N 490.606 2.298 30 10 JEEE C#CCN(C(=O)c1cccc(S(=O)(=O)N(C)c2ccc(C)cc2)c1)[C@@H]1CCS(=O)(=O)C1 729331939 RSJUCLMSRIYGOV-HXUWFJFHSA-N 460.577 2.083 30 10 JEEE N#C[C@H](C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1)C(=O)c1ccc(Cn2cncn2)cc1 916948027 CGWFOCIHVJOVQT-QFIPXVFZSA-N 492.561 2.462 30 10 JEEE COc1cc(NC(=O)CSc2n[nH]c(NN=Cc3ccc(O)cc3O)n2)cc(OC)c1OC 1084206934 QNOQTCZGTOGYBS-UHFFFAOYSA-N 474.499 2.419 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@H](C)c1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1286390096 WXFYSJNADXCZAM-GHTZIAJQSA-N 452.584 2.417 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1CC(C)(C)CN(C)C)[C@H]1CCS(=O)(=O)C1 1286391792 DRVWEFKBTAIJBJ-FQEVSTJZSA-N 473.643 2.092 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccccc1COCCC)[C@H]1CCS(=O)(=O)C1 1286392676 JFMGIDCBDJPVDD-VXKWHMMOSA-N 472.611 2.384 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CC[C@@H]1CCO[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1286394882 XQKPXLUXEGVHTH-CEWLAPEOSA-N 457.600 2.096 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCCOC2)n1CC1(C(N)=O)CCOCC1 1286455991 KSMGYJFCMAHCGB-LJQANCHMSA-N 455.534 2.233 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2ccc(C)cc2C)CC1 1286492500 HGLLPUZWUCPHEP-JOCHJYFZSA-N 483.638 2.006 30 10 JEEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCCN(Cc2ccc(OC)cc2)C(=O)C1 1286509368 PGCJZXQYFONNFK-FQEVSTJZSA-N 469.611 2.396 30 10 JEEE C=C(C)COCCn1c(C2CCC2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1286612099 SOFBBXHXNYTGNB-UHFFFAOYSA-N 458.607 2.079 30 10 JEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@H](COC)C1 1286688948 UUEBLTXINYVYLN-OALUTQOASA-N 455.625 2.220 30 10 JEEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(CN2C[C@H](C)O[C@H](C)C2)CC1 1286693359 NZOKEQIOJHAHJP-CEXWTWQISA-N 468.668 2.180 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCC(CO)CC2)cc1 1286726528 FWZMQFSQISCNKM-HXUWFJFHSA-N 459.616 2.059 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1286781562 UJXIDDJSWNBTPX-RTBURBONSA-N 453.591 2.368 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1286815741 ADJOFTNZPUSGGN-UFYCRDLUSA-N 487.626 2.351 30 10 JEEE CC(C)NS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CCCO)CC1 1288268082 BCPGMPQVLZUUQE-UHFFFAOYSA-N 460.604 2.133 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCN1CCCO[C@H](C)C1 1300307534 GCWGBLUCDJNLTI-NHCUHLMSSA-N 466.634 2.411 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@](C)(O)C(C)C)c1 1300336852 PEFIYGIHHDFRKM-KIVTUJJHSA-N 469.586 2.465 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCN(C)[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1300488904 HWIODPXAJNNRPM-QUCCMNQESA-N 459.616 2.311 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1Cc1ccnc(OCC2CC2)c1)[C@H]1CCS(=O)(=O)C1 1300495221 FSMRAZYVPPICCV-FQEVSTJZSA-N 457.600 2.335 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@H](C)Oc1ccccc1OC)[C@H]1CCS(=O)(=O)C1 1300499053 OXDDRLGVSYMNIK-FPOVZHCZSA-N 495.605 2.367 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)Oc1ccc(OC)cc1 1300578386 LSMPUFRANIONHH-OALUTQOASA-N 456.568 2.119 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2nc(C(F)(F)F)cs2)CC1 1300683765 SMDCJGUMTXLXOA-CQSZACIVSA-N 458.510 2.281 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2Cc2ccc(C)n(C)c2=O)CC1 1300707253 CHFGYUUFXDOERI-UHFFFAOYSA-N 460.582 2.285 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CCNC(=O)c2ccccc2F)CC1 1300726239 MMTFKAQGHBWCCS-UHFFFAOYSA-N 468.577 2.402 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OCC)n2C[C@]2(O)CCSC2)CC1 1300731480 QHQLHENPSUTLSV-RUZDIDTESA-N 499.637 2.090 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CCSC1 1300805742 HWFASPFQGAORPS-NLSFWIRASA-N 477.631 2.447 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CCCC(=O)NC 1300870759 WAJUCCNRIDAHSN-GHTZIAJQSA-N 475.615 2.292 30 10 JEEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1301435967 CXCKQZRLUJDVAQ-GOSISDBHSA-N 460.604 2.124 30 10 JEEE C=CCOc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCN(CC(F)(F)F)CC2)cc1 1301525042 FRMBEDQGMHZDKE-SFHVURJKSA-N 499.559 2.478 30 10 JEEE N#Cc1ccccc1N1CCCN(c2nnc(Cc3cccnc3)n2CC(=O)NCC(F)F)CC1 1316533198 HGGQHVOONKJJEG-UHFFFAOYSA-N 480.523 2.234 30 10 JEEE C#CCCCCn1c(CSc2ccccc2OC)nnc1N1CCN(S(C)(=O)=O)CC1 1358917363 OVZXKCAIYLRHOW-UHFFFAOYSA-N 463.629 2.464 30 10 JEEE C#CCN(c1nnc(-c2ccccc2F)n1CCCc1nc(C)no1)[C@H]1CCS(=O)(=O)C1 1358959758 PFMDFKIAFBTVJI-INIZCTEOSA-N 458.519 2.035 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCNC(=O)C(C)(C)C 1358968219 CPBQBQXMEHSUNV-UHFFFAOYSA-N 454.962 2.097 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCCN2CCCO[C@@H](C)C2)CC1 1359028458 STDGBHCSYNZKTC-QHCPKHFHSA-N 493.656 2.403 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)c2ncc(C)s2)CC1 1359040009 DZRAUSAMQWLXKJ-INIZCTEOSA-N 492.609 2.460 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1359095696 QSOSWHIVRKXOSU-WIYYLYMNSA-N 491.614 2.025 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(C)CC1 1359099214 LFOCFGJKZYPEFK-QYZOEREBSA-N 467.636 2.219 30 10 JEEE C=CCCOCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC(S(C)(=O)=O)CC1 1359228976 UVQAWFNWEDATLU-UHFFFAOYSA-N 458.588 2.123 30 10 JEEE CC(C)(C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1359492196 DSRNFUBAUYNZLS-UXHICEINSA-N 452.559 2.363 30 10 JEEE N#Cc1ccc(N2C[C@H](C(=O)NC[C@@H](O)COc3ccccc3Br)CC2=O)cc1 1445527402 CNXRARJAUPNVTN-NVXWUHKLSA-N 458.312 2.230 30 10 JEEE C=CC[C@@H](NC(=O)N1CCN(C(=O)OC(C)(C)C)[C@H]2CS(=O)(=O)C[C@H]21)c1ccncc1 1477931556 BZBYXCYWBHVYSV-KURKYZTESA-N 450.561 2.127 30 10 JEEE CC[C@@H](C)[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1494869659 FQADQLQEKDPZQM-WXTAPIANSA-N 488.596 2.434 30 10 JEEE C#CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H](C)CS(C)(=O)=O 1507564524 RLSIACREWJWNAK-MSOLQXFVSA-N 483.635 2.259 30 10 JEEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1Cc1nc(C)cs1)[C@H]1CCS(=O)(=O)C1 1507638500 FZVPUGPQTUWDSY-KRWDZBQOSA-N 487.607 2.306 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCCc3ccccc3)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1507740661 OSZVHLGXASHGNB-JOCHJYFZSA-N 497.665 2.244 30 10 JEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(c2ncc(C)s2)CC1 1507746732 TWFZEDIGSLCZJF-OAHLLOKOSA-N 468.674 2.404 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)OCCOC)n1CCCN1C(=O)NC2(CCCC2)C1=O 1507764042 IWNJZVIJPKQHPZ-FDDCHVKYSA-N 472.590 2.249 30 10 JEEE C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1C1CCC1 1507783348 CLXAYDAWIDCLTM-CVEARBPZSA-N 474.425 2.289 30 10 JEEE C=C(Cl)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](CC(N)=O)C1 1507868441 KEOARDVBRAKHRG-HZPDHXFCSA-N 468.986 2.431 30 10 JEEE C=CCN(c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@]1(O)CCS(=O)(=O)C1)C1CC1 1507993812 OWPNIOYKCAPVOL-HSZRJFAPSA-N 495.646 2.097 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 1508073341 VQXMMBXMOOPOKI-OAHLLOKOSA-N 475.619 2.050 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C(=O)NCCC)C1 1508132992 AYCGRLUJSXRPJY-FQEVSTJZSA-N 470.599 2.160 30 10 JEEE Cc1csc(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@H](C)CS(C)(=O)=O)n1 1511474323 FAUFHVHEYGIYLS-OAHLLOKOSA-N 460.585 2.411 30 10 JEEE CC[C@@H](C#N)Oc1cccc(CNC(=O)C2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)c1 1521875096 FGCDPRVHCMYYDV-IBGZPJMESA-N 459.572 2.127 30 10 JEEE N#Cc1ccc(OCc2cccc(C(=O)NCCS(=O)(=O)NC[C@H]3CCCCO3)c2)cc1 1538354597 CNIOWNWEMAYOJB-JOCHJYFZSA-N 457.552 2.356 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccccc1OC)N1CCCC1 1539013509 IUSGUCOGKZFUQH-ZJOUEHCJSA-N 471.627 2.484 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CC2(SC)CCOCC2)c1 1539042301 FAPDDEFESYXOAQ-IBGZPJMESA-N 482.610 2.198 30 10 JEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(N(C)C)CCSC1 1539178217 FQQRLPUPAKHFMZ-HTAPYJJXSA-N 464.636 2.093 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1Cc1ccc(C#N)o1)[C@H]1CCS(=O)(=O)C1 1539204749 CVVJOYKBCWTWAL-KRWDZBQOSA-N 451.508 2.093 30 10 JEEE C#CCN(c1nnc(C2CC2)n1C[C@@H](c1cccc(OC)c1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1539216196 OYORQSDCVKUDEJ-CTNGQTDRSA-N 457.600 2.094 30 10 JEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1CCC1(O)CCC1)[C@H]1CCS(=O)(=O)C1 1539231786 YEXVAAQAGYYQRF-FQEVSTJZSA-N 472.611 2.004 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1539231842 XQFWAXGQMXSJJB-DEPCRRQNSA-N 450.605 2.065 30 10 JEEE C#CCN(CC#C)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@H]1CCCN1S(C)(=O)=O 1539240121 XPNNYYUEGVCNAV-ZWKOTPCHSA-N 459.547 2.054 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCN1CCC[C@H](C)C1 1539245657 JLLJLCLHXBQHMJ-FQEVSTJZSA-N 468.627 2.000 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCNC(=O)c2cccs2)CC1 1539429031 ZQLZOMRTBUMEPZ-UHFFFAOYSA-N 491.621 2.394 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc(OC)c(O)c2)CC1 1539468325 DOMRWYJNFMJILU-SANMLTNESA-N 497.596 2.047 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Br)cc3)n2CC(C)(C)O)CC1 1539470514 SNJXSADFHXEATI-UHFFFAOYSA-N 460.376 2.444 30 10 JEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](c2ccccc2OC)C1 1539497991 PMRHAXRORWQIGL-DLBZAZTESA-N 463.629 2.257 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN1CCOC[C@H]1C 1539540767 TYVQZXCOCVDYAI-WZONZLPQSA-N 457.600 2.061 30 10 JEEE C=C(Br)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1539607304 BRUBQBFBCNYELA-HXUWFJFHSA-N 457.332 2.354 30 10 JEEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1539824659 XVNCLRUGZDVMDE-FHWLQOOXSA-N 450.971 2.473 30 10 JEEE C=C1CCN(c2nnc(COc3ccc(F)cc3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1539856003 QAKUNJAGZNGUDC-UHFFFAOYSA-N 450.536 2.092 30 10 JEEE C=CCCOCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCS(=O)(=O)CC1 1540042054 KMPQUBUASDHBSP-KRWDZBQOSA-N 469.608 2.178 30 10 JEEE C=CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H]1NC(=O)CC1(C)C 1540198167 DAQHEZNJLCWFPP-KRWDZBQOSA-N 451.531 2.147 30 10 JEEE Cc1cc(C(=O)N2CCC3(CC2)CN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@H]3C(N)=O)n(C)n1 1548377755 XUJSFZPFUNXVDR-SFHVURJKSA-N 474.487 2.463 30 10 JEEE C=CCn1cc(CNC(=O)C2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)nn1 1584319021 HQEOTWYSWZDGDL-UHFFFAOYSA-N 457.478 2.200 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(C(=O)N(C)C)CCCC1 1587580784 RZSIOJQEPXGPMW-QGZVFWFLSA-N 457.600 2.455 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC[C@H](C(F)F)N1CCOCC1 1587621199 PKEFPOVWQBBQPW-VQIMIIECSA-N 485.539 2.006 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2CC2CCN(C(C)=O)CC2)c1 1587689092 AXBXUPVLEQXLIK-UHFFFAOYSA-N 472.553 2.050 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1ccccc1OCCOC)[C@@H]1CCS(=O)(=O)C1 1588049611 JLEKSTUODCFAIM-OAQYLSRUSA-N 481.578 2.040 30 10 JEEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1589052983 BULMFRAILGOABH-UHFFFAOYSA-N 469.659 2.395 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC2CC2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1589559240 OXXVSODHYTZVLX-GHTZIAJQSA-N 451.637 2.462 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCCN(C(=O)C(C)C)CC1 1589568574 KZHLZHCJBHRPIE-KNQAVFIVSA-N 458.607 2.076 30 10 JEEE C=C(C)COCCn1c(-c2ccccc2OC)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1593729000 GQBUEPMMLYEZRQ-UHFFFAOYSA-N 468.602 2.291 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1594454289 FETPAWVJONOQQS-QGZVFWFLSA-N 487.692 2.428 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCOC[C@H]1C 1595075766 KOCOCYJTFPRNEY-TZIWHRDSSA-N 489.642 2.102 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCSCC1 1595238896 AMPWUCJAKMSQAP-NRFANRHFSA-N 475.684 2.464 30 10 JEEE C=CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1595837768 CWJORCXFSGBTGH-GOSISDBHSA-N 490.033 2.337 30 10 JEEE CC(C)CN1CCO[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CC(=O)NC(C)C)C1 1607580912 CICZPTGSUXLMED-OAQYLSRUSA-N 453.591 2.134 30 10 JEEE CCn1cc(Cn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N(C)C[C@H](C)C#N)cn1 1615703538 BINFHLLNFKPYDA-MRXNPFEDSA-N 456.576 2.056 30 10 JEEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CN(CC(C)C)CCO2)CCO1 1619736694 HBIXQLSVHDYWIV-VXKWHMMOSA-N 454.575 2.025 30 10 JEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCCN(c3nc(C)ns3)CC2)cc1 1622885641 KKPBWYZXIXJAHZ-UHFFFAOYSA-N 450.590 2.397 30 10 JEEE N#Cc1cn(CCC(=O)Nc2ccc(CCn3cc(Br)cn3)cc2)c(=O)nc1O 1628211578 AAKPTKRDPCMBNE-UHFFFAOYSA-N 457.288 2.051 30 10 JEEE C=CCN(C(=O)c1cc(OC)c(S(N)(=O)=O)s1)[C@H](Cc1ccccc1)C(=O)OCC 1632976982 IEQUFBQADGXDRC-OAHLLOKOSA-N 452.554 2.207 30 10 JEEE CCc1nnc(O)c(CNC(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)c1CC 1635729871 GQWMQTAGSIYVHO-SFHVURJKSA-N 459.572 2.077 30 10 JEEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N2C[C@H](O)[C@@H](CO)C2)c1 1642401937 QNEUATIAPZSPTM-UZLBHIALSA-N 450.944 2.147 30 10 JEEE C#CCN1CCN(C(=O)CNC2(Cc3ccc(F)cc3Br)CCOCC2)CC1 1658754878 NCWDUMVIDHVIOS-UHFFFAOYSA-N 452.368 2.047 30 10 JEEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCO[C@@H]3CCN(Cc4ccccc4)C[C@@H]32)c1 1670139878 GBPPFPSONLAFHP-XZOQPEGZSA-N 455.580 2.266 30 10 JEEE C#CCN(C(=O)NCC1(N2CCN(c3ccccc3)CC2)CCOCC1)C1CCN(C)CC1 1686475554 ANZNLINLLJONET-UHFFFAOYSA-N 453.631 2.097 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2C[C@@H](C)CN2CCOCC2)c1 1689872239 SCIZUCMOQFBIMQ-UNMCSNQZSA-N 480.613 2.197 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2c(F)cc(F)cc2[C@H]1C 1689930591 VONDRLJOPYTWKY-FOIQADDNSA-N 479.553 2.426 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1CC(F)(F)C1(OC)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1689980173 NCYXJVBZGIQHAC-MRXNPFEDSA-N 474.574 2.033 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H](C)CN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1689982457 NOPBVUYSXRVRLL-GHTZIAJQSA-N 486.598 2.212 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1689997112 WBLMWURFKKCWHY-OAQYLSRUSA-N 482.610 2.018 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@](O)(c1ccccc1)C(F)(F)F 1690000310 YMLNQABWKQYFMJ-QFIPXVFZSA-N 468.439 2.448 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2cccc(O)c2)CC1 1690124120 FWULUQOVSSAIBH-NRFANRHFSA-N 482.585 2.096 30 10 JEEE C#CCSCCn1c(N2CC[C@H](C(=O)NCC(F)(F)F)C2)nnc1[C@@]1(OC(C)C)CCOC1 1690185734 FSZZZOVBURDNHA-OXJNMPFZSA-N 489.564 2.190 30 10 JEEE C=C(Br)Cn1c(Cc2ccncc2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1690230959 WMVLXEVSLYJXKL-JXFKEZNVSA-N 488.434 2.161 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1690236841 RSKTZPFZTLVEMQ-QMMLZNLJSA-N 455.607 2.354 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CCc2ccccc2)nnc1N1CCN(C(=O)COC)CC1 1690251671 XSJMITCJSQUBCI-XUZZJYLKSA-N 453.587 2.340 30 10 JEEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1690361513 XCORACIEBXBBMA-BDXSIMOUSA-N 455.987 2.122 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCNC(=O)[C@H]1CC 1690684802 OPKVVMVQKWYLPO-ZVDOUQERSA-N 455.559 2.330 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N(C)C[C@H]1COc2ccccc2O1 1690724719 VFIWIDHSZIEXTH-MSOLQXFVSA-N 462.572 2.049 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2CC(C)(C)C(=O)NCC)c1 1705506686 FONFTVWEFUHQPD-SFHVURJKSA-N 452.559 2.001 30 10 JEEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)Nc2c(C)cccc2C)CC1 1705516096 UKOWHSVTZVERJF-NRFANRHFSA-N 477.613 2.410 30 10 JEEE C#CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1C[C@H](OC)[C@H](OC)C1 1705531247 CZPWLOZDRCBTQV-BGYRXZFFSA-N 450.543 2.499 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCc1ccc(OC)c(F)c1)[C@H]1CCS(=O)(=O)C1 1705566556 PCMNVQMKRAHEEA-KRWDZBQOSA-N 457.531 2.290 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1CCCN(C)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1705569412 CNJCXXSFCOXGLI-GOSISDBHSA-N 467.636 2.360 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(CC)CC)n1C[C@]1(O)CCN(C)C1 1705619455 RAADHLPGQHEYQV-DEOSSOPVSA-N 456.566 2.042 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CCn2cc(Cl)cn2)CC1 1705648619 ZXWQPSMVQCNLBD-UHFFFAOYSA-N 452.950 2.164 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 1705898391 KGKZNJDNQATNDK-UHFFFAOYSA-N 497.962 2.326 30 10 JEEE CCC1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)Cc2ccc(C#N)cc2)CC1 1708884196 BVMMXBKJYAQIPQ-LJQANCHMSA-N 458.588 2.309 30 10 JEEE CCCOc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCC(=O)N2CCOCC2)cc1OC 1709854722 CWKWZGXMPNDTBZ-XMMPIXPASA-N 486.548 2.433 30 10 JEEE CCN(CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(C)(C)C)CC1)S(C)(=O)=O 1710140658 HBKMMGVUIRKNRV-UHFFFAOYSA-N 473.647 2.409 30 10 JEEE CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCN(C)C(C)(C)C2)C[C@H]1C 1710285865 GXOUHLZUSKOHEX-OAQYLSRUSA-N 480.661 2.285 30 10 JEEE COCC(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCC(C)CC2)CC1 1712113802 GXBULGVBHQCGOK-UHFFFAOYSA-N 495.628 2.192 30 10 JEEE CS[C@@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1712728332 CTRNWLZHLGNJRM-SFHVURJKSA-N 453.616 2.313 30 10 JEEE N#Cc1cccc(-c2nnc(N3CC[C@H](C(N)=O)C3)n2CCCn2cc(Br)cn2)c1 1712877128 BOBHDJMKPCOUBA-INIZCTEOSA-N 469.347 2.178 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2CCN2CCOC[C@@H]2C)c1 1722306655 DCVGHFLDKGETHT-FQEVSTJZSA-N 473.581 2.041 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H](c1ccccc1)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1722367044 LSJYIUNPXBEMPC-XPWALMASSA-N 485.654 2.492 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1NC(=O)CC1(C)C 1722390193 PBVXLLPXRQSJOB-LJQANCHMSA-N 466.973 2.239 30 10 JEEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(C(=O)N2CCCCC2)cc1 1722401781 BDRLHVAILUKZFA-GOSISDBHSA-N 472.615 2.022 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CCC(=O)NC(C)(C)C)CC1 1722435206 DSBPJZDAUXZVHZ-UHFFFAOYSA-N 468.602 2.412 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCC(C)(F)F)CC1 1722436800 FZSYHGVTAPJQNC-QGZVFWFLSA-N 468.549 2.387 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC(F)(F)F)CC1 1722443971 RPVZKKONQNLCSY-UHFFFAOYSA-N 451.449 2.490 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2(N(C)C)CCCCC2)CC1 1722449147 HKPVXPHQZJSBPI-UHFFFAOYSA-N 480.661 2.370 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCc2ccc(OC)c(F)c2)CC1 1722452606 IELPWBWBSFXPDI-REWPJTCUSA-N 499.587 2.358 30 10 JEEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(NC(=O)CCC)CC1 1722457289 AHSJCWYNEBISEM-UHFFFAOYSA-N 493.637 2.444 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN(CC)C(=O)OC(C)(C)C 1722473421 CWFFAWUCCVBVHI-HTAPYJJXSA-N 465.620 2.429 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](CC(C)C)NC(=O)OCC)CC1 1722565816 CCNFNFJVRXGTEO-MSOLQXFVSA-N 453.609 2.497 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1)C(C)C 1722665638 NTTOYHBUVTWVAN-QHAWAJNXSA-N 457.623 2.384 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC(Nc2cc(OC)cc(OC)c2)CC1 1722697519 KLUMNXYZPSTJGE-UHFFFAOYSA-N 480.573 2.079 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N(C)Cc1csc(Br)c1 1722725949 VCCCGRUMTPLLFF-UHFFFAOYSA-N 490.449 2.478 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCOC3(CCCCC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1722736877 LHXHGRXTIAGMBI-QHCPKHFHSA-N 482.647 2.459 30 10 JEEE CC(C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(Cc2cscn2)CC1 1723085955 HSEKDKDNBSFKCR-UHFFFAOYSA-N 464.599 2.368 30 10 JEEE COc1ccc(Br)c(-c2nnc(N(C)C[C@@H](C)C#N)n2CCN2CCCS2(=O)=O)c1 1730029186 CHQKRYSEMFZLQR-AWEZNQCLSA-N 497.419 2.348 30 10 JEEE COCc1nc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(CC(=O)NC(C)C)CC2)cs1 1730532100 GQJIXRSJKVUPAR-UHFFFAOYSA-N 494.625 2.115 30 10 JEEE N#Cc1ccc(-c2nnc(N3CCO[C@H](C(F)(F)F)C3)n2C[C@@H]2CCCS(=O)(=O)C2)cc1 1731184102 AHYTZQIYJGCNKF-RDJZCZTQSA-N 469.489 2.409 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@H]1NC(=O)CC1(C)C 1740647439 PAQPSNHNQMLKCD-HXUWFJFHSA-N 465.554 2.349 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccc(C)cc1)N1CCOCC1 1740656733 MDLNLZSLOJXNIV-ZEQRLZLVSA-N 495.649 2.025 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H]2CCCCN2CCC)CC1 1740702835 ABIWCFAUNVGCEI-NVQXNPDNSA-N 486.661 2.161 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CC(C)(C)CN1CCOCC1 1740756996 MKPWDRYCEFKOMD-DYXWJJEUSA-N 460.623 2.005 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CCOc2ccccc2)nnc1N1CCN(C(=O)COC)CC1 1740763344 KATDISPRRIJJMZ-GBXCKJPGSA-N 469.586 2.176 30 10 JEEE C=C(Cl)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC(C(=O)NC)CC1 1740802979 FEICGEBYEFWYBR-UHFFFAOYSA-N 466.011 2.262 30 10 JEEE C=CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1740858823 AWGDLJRVMXKBIS-IBGZPJMESA-N 486.598 2.178 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCO[C@H]1C(C)(C)C 1740941996 YEXVHNBQTTXWEC-SLFFLAALSA-N 499.678 2.091 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCCN(c2nc(C)ns2)CC1 1740960834 CTGBKYURQFIKCC-UHFFFAOYSA-N 466.615 2.356 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(CCC)C(=O)C1 1740969933 XUELDLUNHZSVDZ-LJQANCHMSA-N 452.559 2.291 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(N(C)C)cc2C)C1 1740980520 LEEHYHAXZACUFK-TZIWHRDSSA-N 459.616 2.384 30 10 JEEE CCOC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CC(OCC)C2)CC1 1746553424 IEHLQGOLINTCMS-UHFFFAOYSA-N 454.531 2.025 30 10 JEEE C#CCN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1748773651 AONUUQBWDXAMGI-QFIPXVFZSA-N 460.586 2.347 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1CCCC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1748809936 RCDNTSIJVBRQEI-MRXNPFEDSA-N 481.981 2.233 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2F)n1CCS(=O)(=O)N1CCSCC1 1748834358 KOEINSZJIFLUIA-UHFFFAOYSA-N 482.006 2.189 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1CCNC(=O)c1ccccc1F 1748852348 BJSLOMXWOQWFKB-UHFFFAOYSA-N 455.497 2.159 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCCN2C[C@@H](C)O[C@H](C)C2)CC1 1748984834 SPXCYUKZYVFJHB-NHCUHLMSSA-N 482.629 2.217 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC(=O)NCC=C)CC1 1749018628 BIEBGRUVJKZLLH-UHFFFAOYSA-N 492.624 2.423 30 10 JEEE C=C(Br)Cn1c(N2CCc3nc(O)c(C#N)cc3C2)nnc1[C@]1(OCC)CCOC1 1749112073 ASWMQXXYKVOJRP-FQEVSTJZSA-N 475.347 2.374 30 10 JEEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(n2c(O)nc3ccccc32)CC1 1749170079 CHWLWFURQPLSHY-OAHLLOKOSA-N 459.576 2.361 30 10 JEEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1CCC[C@@H](C)C1 1749229939 RFMHRNVNFBZULG-QRVBRYPASA-N 455.625 2.219 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc(C(=O)N2CCCC2)n1CCN1CCOC[C@H]1C 1749582197 DMEHVKYBJQVPPO-OAQYLSRUSA-N 452.603 2.470 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)Cc1c(C)noc1C 1749666174 IOAPEMNWOYSZOR-UHFFFAOYSA-N 476.541 2.218 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H](C)c1ccc([S@@](C)=O)cc1 1749721934 WZEDUZBSZZBTOG-UJQZNKFNSA-N 493.655 2.050 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)Cc1ccccn1 1749730834 SHMWQSZTNOPAAQ-UHFFFAOYSA-N 493.593 2.307 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC(=O)NCC(F)(F)F 1760110655 GAYWSAUDWJDDNF-CQSZACIVSA-N 475.475 2.201 30 10 JEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H](c1ccco1)N(C)C 1760173060 INXHMKSAORTEGX-IBGZPJMESA-N 456.572 2.161 30 10 JEEE C#CCN(c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@]1(O)CCOC1)[C@@H]1CCS(=O)(=O)C1 1760183858 RUQVMKNTHCNCNI-HYBUGGRVSA-N 472.611 2.021 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CC1(O)CCCCCC1)[C@@H]1CCS(=O)(=O)C1 1760186421 CMCIKRUAJFSBLH-RTBURBONSA-N 450.605 2.232 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1ccccc1COC)[C@H]1CCS(=O)(=O)C1 1760188343 KCOZIIAWKMVBCK-NRFANRHFSA-N 465.579 2.470 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1C[C@H](C)COC)[C@H]1CCS(=O)(=O)C1 1760191091 AHDJUFVSMPPLEP-PXNSSMCTSA-N 460.600 2.383 30 10 JEEE C#CCN(c1nnc(COCC)n1CC1(N2CCSCC2)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1760192145 FEZWGALYHRPUTG-HXUWFJFHSA-N 495.715 2.193 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CC(F)(F)CO1 1760240654 XZKIXZAGWFBBOZ-YOEHRIQHSA-N 471.505 2.091 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccccc3Br)n2CCc2n[nH]c(C)n2)CC1 1760258738 RAFRVUBGISTVDS-UHFFFAOYSA-N 455.364 2.132 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCS(=O)(=O)NC 1760497870 VKLOXUSMXXANJY-INIZCTEOSA-N 454.597 2.078 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC1(C)C 1760501067 GBLAPMLHMZIMDH-PKOBYXMFSA-N 463.604 2.485 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1760526663 RBMVRHHFXXTVOR-FQEVSTJZSA-N 468.602 2.157 30 10 JEEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCO[C@@H](c2ccccc2Br)C1 1760527616 COJCEUVMKKSCOF-QGZVFWFLSA-N 464.364 2.457 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCCC[C@@H](S(C)(=O)=O)C2)cc1 1760530947 YELRXWUCVTXIQL-HXUWFJFHSA-N 475.615 2.433 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)C1 1760777899 CZTAARLGKDRIKI-PNLZDCPESA-N 496.609 2.269 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@H](OC)C(C)C 1762292652 AFESFHBKAYCNOR-XLIONFOSSA-N 483.621 2.244 30 10 JEEE CC[C@H](C)N(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1763911697 CJNKKRLLUFJYOZ-RXVVDRJESA-N 474.631 2.472 30 10 JEEE COc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1CCN(CC(F)(F)F)C1 1770518168 FRWVMGPMLUMYRL-IRXDYDNUSA-N 480.491 2.479 30 10 JEEE COCCN(CCC#N)c1nnc(-c2ccc(Cl)cc2F)n1CC1(C(N)=O)CCOCC1 1771109900 IACSFOJNNOJQCJ-UHFFFAOYSA-N 464.929 2.386 30 10 JEEE CC(=O)Nc1ccc(-c2nc(C3=C(N)N(Cc4ccc(S(N)(=O)=O)cc4)CC3=O)sc2C)cc1 1872795915 DSGRYQXYCSMDHM-UHFFFAOYSA-N 497.602 2.437 30 10 JEEE C=CCn1c(C(=O)N(CC)CCc2ccncc2)cc2c(N3CCN(C(C)=O)CC3)ncnc21 1873561350 MASUGPIYKOPZHT-UHFFFAOYSA-N 461.570 2.386 30 10 JEEE Cc1cc(F)ccc1S(=O)(=O)N1CCC(OCC#CCN2CCN(C(C)C)CC2)CC1 1889650063 ZNEDQBSRATVTSJ-UHFFFAOYSA-N 451.608 2.333 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H](C(=O)NCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2185161553 IECAXXIOYUGEQO-MJGOQNOKSA-N 460.380 2.220 30 10 JEEE 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 2223126574 WKPHLDOSCOQUCD-SFNKJDCFSA-N 453.580 2.390 30 10 JEEE CC(C)(C)OC(=O)Nc1ncc(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)s1 2248404935 NWXOMVFVRJKDON-UHFFFAOYSA-N 453.355 2.315 30 10 JEEE C=CCC1(NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)C(F)(F)F)CN(C(=O)OC(C)(C)C)C1 2254213935 VAPNDPJTELACEJ-QWHCGFSZSA-N 467.485 2.485 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CC[S@@](=O)(=NC(=O)c2occc2B2OC(C)(C)C(C)(C)O2)C1 2255812570 JABCQKAYESSDBS-FYKVGYICSA-N 454.354 2.484 30 10 JEEE Cc1nc(NC(=O)[C@@H]2CSCN2C(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2256623889 IAAMCEYFCVGPAA-AWEZNQCLSA-N 450.370 2.333 30 10 JEEE C[C@@H](NC(=O)c1nn(C)c(Cl)c1B1OC(C)(C)C(C)(C)O1)C1CN(C(=O)OC(C)(C)C)C1 2267185169 ZYLCJJWXCDIXKU-GFCCVEGCSA-N 468.791 2.358 30 10 JEEE Cc1ccc(S(=O)(=O)N[C@H]2C[C@@H]2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2267703955 FSBZJPNJQLXFAQ-WBVHZDCISA-N 466.409 2.486 30 10 JEEE CC1(C)C[C@@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)CN(C(=O)OC(C)(C)C)C1 2268720572 XMNJBGRSCGGAFK-CYBMUJFWSA-N 466.413 2.481 30 10 JEEE CO[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1 2281794068 AVQMQWNYRWARFP-ROUUACIJSA-N 461.368 2.135 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@]2(C1)C(=O)NCCN2C(=O)[C@H]1C[C@@H]1B1OC(C)(C)C(C)(C)O1 2281931838 WVUXSOUCDHDPEY-KXNSMUHISA-N 463.384 2.197 30 10 JEEE Cc1ccnc(C(=O)N2C[C@H](NC(=O)C(F)(F)F)CC[C@@H]2C)c1B1OC(C)(C)C(C)(C)O1 2281998945 VIJVFFOLGPVIRW-UONOGXRCSA-N 455.286 2.361 30 10 JEEE CC(C)(C)OC(=O)N1CC(N(C(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)[C@H]2CCOC2)C1 2281999122 BYTATKTZECGCSB-AWEZNQCLSA-N 479.408 2.293 30 10 JEEE Cn1cc(C(=O)N2C[C@H]3CC[C@]3(CNC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2282043242 MGIRXTAAJATLLV-CMJOXMDJSA-N 460.384 2.096 30 10 JEEE CCn1cc(C(=O)N2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)nc1B1OC(C)(C)C(C)(C)O1 2282050963 QJTOPQUNBFUNTG-HOTGVXAUSA-N 460.384 2.141 30 10 JEEE Cc1cc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2CO)oc1B1OC(C)(C)C(C)(C)O1 2282059455 IVFBAIGZFZDAGB-HZPDHXFCSA-N 464.368 2.235 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@@]2(CNC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2282172335 VNTOSAVMNWEJCT-IQMFZBJNSA-N 458.368 2.153 30 10 JEEE CC(C)(C)OC(=O)N1CC(O)(CCNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2F)C1 2282397975 VAXTZZPCDMASFQ-UHFFFAOYSA-N 464.343 2.227 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@@H]1C[C@@H]1NC(=O)OC(C)(C)C 2282494361 YQBFSVGYHYKPSB-HOCLYGCPSA-N 482.408 2.186 30 10 JEEE Cn1ncc(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)c1B1OC(C)(C)C(C)(C)O1 2282569041 LKILFTOHENXCDB-XHSDSOJGSA-N 460.384 2.237 30 10 JEEE Cc1c(C(=O)N2C[C@H]3C[C@H]2CN(C(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282582593 YCSIOFCVGJUJGO-HOTGVXAUSA-N 460.384 2.109 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2CCN(Cc3ccccc3)[C@H]2C1 2282594011 YLGRDSRIKQXSMP-UXHICEINSA-N 450.392 2.374 30 10 JEEE CC(C)(C)OC(=O)NCC1(F)CCN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CC1 2282624484 MMCPTPZIKDMDTD-UHFFFAOYSA-N 464.347 2.245 30 10 JEEE CC(C)(C)OC(=O)N1CC([C@@H]2CCN(C(=O)c3ncc(B4OC(C)(C)C(C)(C)O4)cn3)C2)C1 2282625721 ZEBNDVMKAVNGHU-OAHLLOKOSA-N 458.368 2.105 30 10 JEEE C[C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2282629420 VPYKPIGQUXVNIZ-CVEARBPZSA-N 462.400 2.485 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@]1(C)CCNS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282833775 KBMIZUKRIXSLGV-JOCHJYFZSA-N 481.424 2.449 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N(C)C1CN(C(=O)OC(C)(C)C)C1 2282866364 HWFHLPVVHNUDMC-UHFFFAOYSA-N 482.408 2.234 30 10 JEEE Cn1nccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2283961610 HJTDVYWTGOIHEN-QGZVFWFLSA-N 457.340 2.319 30 10 JEEE CN(Cc1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(=O)[C@H](CCC(N)=O)NC(=O)OC(C)(C)C 2284040765 MMGAHINYZZGZAX-INIZCTEOSA-N 481.424 2.165 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2CCO[C@@]2(C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)C1 2284069235 NVSRQWLSBJYGGR-CMJOXMDJSA-N 459.352 2.345 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N1CC[C@H](C)[C@@H](NC(=O)C(F)(F)F)C1 2285205262 QKYCSPXQNUOFAI-WFASDCNBSA-N 455.286 2.218 30 10 JEEE Cc1nnc(SCC(=O)Nc2nccs2)n1N=Cc1cc2c(cc1[N+](=O)[O-])OCCO2 2321126347 TWFVKXAFLYYMLV-UHFFFAOYSA-N 461.485 2.335 30 10 JEEE COC(=O)CSc1nnc([C@H]2CC(=O)N(Cc3ccccc3)C2)n1N=Cc1ccc(O)c(O)c1 2325921404 WONDKEGDNKPTDX-KRWDZBQOSA-N 481.534 2.353 30 10 JEEE COc1ccc(CCc2nnc(SCC(N)=O)n2N=Cc2ccc(C(=O)O)cc2)cc1OC 2326183034 WNWPHLPGHHZCAJ-UHFFFAOYSA-N 469.523 2.238 30 10 JEEE CCCN(CCC)C(=O)CSc1nnc(CNC(C)=O)n1N=Cc1ccc(OC)c(O)c1 2330781067 AKHZPEGHCKSOIF-UHFFFAOYSA-N 462.576 2.251 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@H]([C@](C)(C(=O)O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C1 2346916288 LSFPQNHDABRHSH-JXALWOEJSA-N 458.559 2.176 30 10 JEEE Cn1cc(C(=O)N2C[C@@H]3C[C@H]2C[C@H](NC(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)n1 2359268537 UKVRQHLABPYJGL-XHSDSOJGSA-N 460.384 2.237 30 10 JEEE Cn1cc(C(=O)N2CC(F)(F)[C@](C)(NC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2361914824 AEMPTZXWQMLULG-HXUWFJFHSA-N 470.326 2.094 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1C[C@@H]2C[C@H]1CN2C(=O)OC(C)(C)C 2366674900 OQZMIAGGIWHZRC-ZOBUZTSGSA-N 460.384 2.330 30 10 JEEE CC(C)(C)OC(=O)N(CCCO)CCC(=O)N=c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)[nH]1 2368526600 WAEWKANRHNTSHG-UHFFFAOYSA-N 483.802 2.404 30 10 JEEE COCCn1cc(/C=N/Nc2nc(SCCC(=O)Nc3cccc([N+](=O)[O-])c3)n[nH]2)cn1 59887222 HWVUUEOBCRGTLE-VXLYETTFSA-N 459.492 2.123 30 10 JEEE CCCCCCCCCO[C@@H]1O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1NC(C)=O 97998458 NNNCCZODQRUEHT-USWKJHDZSA-N 473.563 2.410 30 10 JEEE N#Cc1cccnc1N1CCCN(C(=O)CNC(=O)c2ccccc2I)CC1 108861524 UOIAJXMULZOUTE-UHFFFAOYSA-N 489.317 2.027 30 10 JEEE COc1cc(/C=N/NS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc(Br)c1OC 169907814 PUZVLJRYBFDFGJ-QGMBQPNBSA-N 456.274 2.213 30 10 JEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(F)c(F)c(F)c2)c(=O)n1-c1ccccc1C 524123651 SWAHUKFGXRRVOA-UHFFFAOYSA-N 455.461 2.430 30 10 JEEE CC1(C)OB(c2cccc(NS(=O)(=O)CCN3C(=O)c4ccccc4C3=O)c2F)OC1(C)C 704379909 FXAXAXLWTCFYRR-UHFFFAOYSA-N 474.319 2.163 30 10 JEEE C#CCN(C(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1)[C@@H]1CCS(=O)(=O)C1 729332693 VBXCZWYHGFODLH-GOSISDBHSA-N 456.486 2.207 30 10 JEEE Cc1cccc(-n2c(=C(C#N)C(=O)NC(C)C)sc(=Cc3cnn4ccccc34)c2=O)c1C 729668185 ACJXIMJMPPJLJM-UHFFFAOYSA-N 457.559 2.191 30 10 JEEE C#CCN(CC(=O)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)Cc1ccc(F)cc1 744208734 FUFOSKUDPBSQSR-LDADJPATSA-N 455.555 2.406 30 10 JEEE Nn1c(NN=Cc2cccnc2)nnc1SCC(=O)Nc1ccc(OC(F)(F)F)cc1 1084035047 PJAMBCYXLLGQAY-UHFFFAOYSA-N 452.422 2.462 30 10 JEEE CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CCN([C@@H](C#N)C(C)C)CC1 1143456837 BVGHRWGUQFGZRI-PMACEKPBSA-N 452.646 2.087 30 10 JEEE N#C[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)CNS(=O)(=O)c2ccc(F)cc2)CC1 1156560449 FYUDPYNYMRHGRY-IBGZPJMESA-N 450.923 2.166 30 10 JEEE C#Cc1cccc(NC(=O)CNC(=O)Nc2ccc(C(=O)N[C@@H](C)C(=O)OCC)c(F)c2)c1 1201331213 WUKUICRDKFZMHU-AWEZNQCLSA-N 454.458 2.249 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC1(O)CCOCC1 1286291008 USRVHSQVRLSQNA-KRWDZBQOSA-N 450.543 2.064 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Cl)n1CCn1cc(C)cn1)[C@H]1CCS(=O)(=O)C1 1286386742 GXQRWUNIYODRTJ-KRWDZBQOSA-N 458.975 2.430 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1c(F)cccc1N1CCCC1 1286420827 SZABHWJLGXQUCJ-SFHVURJKSA-N 472.590 2.139 30 10 JEEE C#CCN(CC)c1nnc(Cn2nc(C)cc2C)n1CCN1CCN(Cc2ccccc2)CC1 1286449832 IMPSWWFVAPYMTR-UHFFFAOYSA-N 460.630 2.417 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(C)nc4ccccc34)n2CCC(=O)N(C)C)CC1 1286487218 DTSBWTYHQSAQCR-UHFFFAOYSA-N 473.581 2.246 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2ccc(Cl)s2)CC1 1286489778 BNPYMWIDMLBJSG-MRXNPFEDSA-N 460.991 2.153 30 10 JEEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC([C@H]2CC2(F)F)CC1 1286608275 PDAQZYGAIWIBPR-MSOLQXFVSA-N 489.589 2.075 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(F)cc(F)c(F)c1F 1286758009 AJOIVEOYQDVTFX-MRXNPFEDSA-N 489.495 2.394 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC[C@@H](CNC(=O)c2ccccc2)C1 1286790042 ZHCSIWMDGVBAOM-FQEVSTJZSA-N 473.581 2.213 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CC[C@@H]2CCN(Cc3ccccc3)[C@H]21 1286814444 SFHKRPVIABAYLE-REWPJTCUSA-N 486.642 2.075 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(CC2CCCCC2)CC1 1286824274 AAMGSUZTOAVVRY-HXUWFJFHSA-N 451.637 2.433 30 10 JEEE CC(=O)N1CC[C@H](CN(C)c2nnc(COc3ccc(C#N)cc3)n2CCN(C)C(C)C)C1 1286848003 DDAPJPPHVIXKKD-OAQYLSRUSA-N 453.591 2.374 30 10 JEEE C[C@H](Cn1c(COc2ccc(Br)cc2)nnc1N1CCO[C@@H](C#N)C1)N1CCOCC1 1288672653 AHAWRJGRPGXXJD-APWZRJJASA-N 491.390 2.069 30 10 JEEE CCN(CC)C[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(C(N)=O)CCOCC2)C1 1295505783 HRZJMFGBSZMVMN-HXUWFJFHSA-N 465.602 2.267 30 10 JEEE CO[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1)C(C)C 1299648163 FETHCZGEVBVCSF-NRFANRHFSA-N 467.574 2.062 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1CC(C)(C)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 1300487541 KMCQZAQRILBUNC-IBGZPJMESA-N 458.632 2.175 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1Cc1ccc(F)cn1)[C@@H]1CCS(=O)(=O)C1 1300497307 AJGDBGFNOFXJEF-HXUWFJFHSA-N 469.542 2.087 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1CC1(SC)CC1)[C@H]1CCS(=O)(=O)C1 1300499575 VERIGVWHRYBXHK-SFHVURJKSA-N 460.625 2.400 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC(C)(C)N2C[C@H](C)C[C@@H](C)C2)CC1 1300681806 CJFARVKLOIDTRE-NHCUHLMSSA-N 478.645 2.437 30 10 JEEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CCCS(=O)(=O)Cc2ccccc2)CC1 1300703262 DJODRAPSQPULDK-UHFFFAOYSA-N 498.678 2.394 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CC2CN(C(=O)OC(C)(C)C)C2)CC1 1300725935 GXUHAFOZOOOAFU-UHFFFAOYSA-N 493.612 2.097 30 10 JEEE C#CCSCCn1c(N2CCN(C(C)=O)C[C@H]2C)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1300777785 CTLLUBVTBQWZQP-QRQLOZEOSA-N 476.647 2.472 30 10 JEEE C=CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 1301467823 WIUPLZJPPVTIIC-LJQANCHMSA-N 472.615 2.413 30 10 JEEE C=CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1301612423 MACSVIDLOJYIHL-MSOLQXFVSA-N 459.620 2.489 30 10 JEEE COCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N(C)C2CCCCC2)CC1 1301830283 DROZXUMQCQWTRX-UHFFFAOYSA-N 465.602 2.376 30 10 JEEE CC(C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1303426982 DJNXCAPCCJOOEI-DEOSSOPVSA-N 462.558 2.217 30 10 JEEE COC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1315132021 FCIOSWXOLWYLSR-IBGZPJMESA-N 458.588 2.246 30 10 JEEE CO[C@]1(C)CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1315241325 BBQGYDAOUJKRFW-PGRDOPGGSA-N 458.588 2.104 30 10 JEEE N#Cc1ccc(-c2nnc(N3CCC(C(N)=O)CC3)n2C[C@@H]2CCN(CC(F)(F)F)C2)cc1 1316529561 FUFOOVYEKGYOLE-MRXNPFEDSA-N 461.492 2.403 30 10 JEEE COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)NCc2cc(C#N)ccc2F)CC1 1354413432 BZOQLCHWKSTFCM-UHFFFAOYSA-N 459.499 2.201 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1Cc1cc(C)nn1C)[C@@H]1CCS(=O)(=O)C1 1358957969 DXURXSXURBTVQI-QGZVFWFLSA-N 489.001 2.324 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCOCc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1358960426 DVMBNZFWEVSVTH-IBGZPJMESA-N 469.567 2.125 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@@H](C)COC)[C@@H]1CCS(=O)(=O)C1 1358963168 CXJUOFODNMBIBS-HZPDHXFCSA-N 452.527 2.056 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@H](C)Oc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1358965354 SURWKORHKVYBCH-PZJWPPBQSA-N 495.605 2.367 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCS1)[C@@H]1CCS(=O)(=O)C1 1358966583 RPTRDTSGZQYXQL-UYAOXDASSA-N 471.608 2.251 30 10 JEEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1cccc(C(N)=O)c1 1358993667 UNVZHOYNPWBKFM-UHFFFAOYSA-N 468.565 2.062 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(F)ccc2Br)n1C[C@@]1(C)CN(C)C1=O 1359020342 ZNFJGKYLVNLXQI-HXUWFJFHSA-N 464.339 2.411 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC(C)(C)C(F)(F)F)CC1 1359040209 LVCDZNDEPSSDRF-UHFFFAOYSA-N 477.491 2.480 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CCCNC(=O)c2occc2C)CC1 1359044062 TVVKHVRMZOIOHU-UHFFFAOYSA-N 489.580 2.336 30 10 JEEE C#CCSCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1359049416 OTVCQGAOBZWBSW-NRFANRHFSA-N 454.644 2.397 30 10 JEEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)Cc2ccccc2C)CC1 1359054978 OUBBJCKWSXIRNL-UHFFFAOYSA-N 461.595 2.301 30 10 JEEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1359077495 DAXZCTPILWOBHT-HUUCEWRRSA-N 456.385 2.406 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCC(OC[C@H]2CCOC2)CC1 1359293850 BQVNWCXZEBQJOR-SFHVURJKSA-N 455.559 2.278 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1359304093 LAEMLQRMAWZOBT-UHFFFAOYSA-N 494.625 2.034 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(C)(C)N2CCC[C@@H](C)C2)C1 1359313296 JUUGARZUJGEDAP-GUDVDZBRSA-N 468.668 2.180 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1359326805 KCIGSLPGLKWEAC-QGZVFWFLSA-N 461.588 2.060 30 10 JEEE COc1cc(C(=O)NCCn2cc(C#N)c(O)nc2=O)ccc1OCc1ccccc1Cl 1470359711 DLFKVDNCBMTNGS-UHFFFAOYSA-N 454.870 2.492 30 10 JEEE C=CCn1c(S)nc2cc(C(=O)N3CC[C@H](c4n[nH]cc4C(=O)OCC)C3)ccc2c1=O 1470592168 GUHMZDAVGFYTCE-AWEZNQCLSA-N 453.524 2.401 30 10 JEEE CCCC(=O)NC[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCOCC2)C1 1499922588 AXEDVEBUSIHJDU-FQEVSTJZSA-N 466.586 2.491 30 10 JEEE N#Cc1ccc(-c2nnc(N3CCN(CC(F)(F)F)CC3)n2CCCN2CCOC2=O)cc1 1505316404 IEOXZHOOWOLUSW-UHFFFAOYSA-N 463.464 2.343 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1noc(CC)n1 1507536177 BDFFGBOEPUGPKB-CVEARBPZSA-N 459.551 2.233 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccsc2)c1 1507549050 YCIDZIFFPFLXFY-HNNXBMFYSA-N 472.596 2.054 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2C[C@@]2(O)CCSC2)c1 1507550793 PJPMIKCNDVMRFF-MBSDFSHPSA-N 455.584 2.096 30 10 JEEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1507559032 WUURTYVKWUQGQN-CYFREDJKSA-N 487.626 2.383 30 10 JEEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@H](C)N1CCN(CC)CC1 1507612296 SERJLGPIKBBVBS-FQEVSTJZSA-N 476.629 2.331 30 10 JEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCc1c(C)cccc1C)[C@H]1CCS(=O)(=O)C1 1507622548 IWVOUXNOHJSHTD-FQEVSTJZSA-N 469.611 2.000 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1507627463 JKWQGYOCCWWEBO-JKSUJKDBSA-N 485.393 2.294 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1ccc(N(C)C)c(F)c1)[C@H]1CCS(=O)(=O)C1 1507631484 PYTWZDKNLCOOPX-KRWDZBQOSA-N 456.547 2.153 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CCN(C)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 1507635775 VIEFIOGAYXEECR-QFIPXVFZSA-N 470.643 2.155 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2ccncc2)n1Cc1ccccc1CN1CCC(O)CC1 1507651946 VICILIDTHPNWGG-UHFFFAOYSA-N 454.578 2.342 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CC2(C(=O)NCC)CCC2)CC1 1507718290 NGRVZFNLEYHELJ-UHFFFAOYSA-N 496.612 2.033 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2CCNC(=O)Cc2cccc(F)c2)CC1 1507736483 PYRUFJDVGZZFCT-SFHVURJKSA-N 468.577 2.255 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1507803806 IXTJOMCHMZZIOV-AUSIDOKSSA-N 487.674 2.262 30 10 JEEE C=C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@H](C)CN2CCOCC2)CC1 1507877710 NNFUMCLTSNDOFH-FQEVSTJZSA-N 488.658 2.320 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CCCC(=O)N(C)C)C1 1508112550 AYXTUVFYXDLTKI-SFHVURJKSA-N 489.646 2.196 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@]1(O)CCN(C)C1 1509951835 IDIITDOCBRCCST-GAJHUEQPSA-N 461.611 2.198 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1CCCc1cnn(C)c1 1510171653 AMOXXDLMEGNRDQ-SFHVURJKSA-N 494.625 2.420 30 10 JEEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1539029302 HECUUDRNBKZCRR-ROUUACIJSA-N 479.610 2.396 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H](OC)C(C)C)[C@H]1CCS(=O)(=O)C1 1539204695 CABKIBHGGNZDOA-DOTOQJQBSA-N 484.420 2.333 30 10 JEEE C#CCN(CC)c1nnc(-c2ccc(OCCC)c(OC)c2)n1CC1(O)CCS(=O)(=O)CC1 1539359737 QLWKLTCBUAYQJD-UHFFFAOYSA-N 476.599 2.142 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCC(=O)N2CCCCC2)CC1 1539434587 OHSSBHHMCRXDDR-UHFFFAOYSA-N 474.407 2.194 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccnc(SCC)c2)CC1 1539466999 LGGKJJRVSVJKEP-UHFFFAOYSA-N 481.626 2.035 30 10 JEEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1539743940 ALKBXOVYTBCDFF-MRXNPFEDSA-N 465.576 2.002 30 10 JEEE C=C(Cl)Cn1c(N2CCN(CC(=O)N3C[C@@H](C)C[C@@H](C)C3)CC2)nnc1[C@]1(OCC)CCOC1 1539823375 BJHJTSHBIGPNCK-GLDPYIMESA-N 495.068 2.309 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccnc(C(F)(F)F)c2)CC1 1539849518 XUPAVWMIJPAGIS-INIZCTEOSA-N 486.520 2.230 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1C[C@H](c2ccc(F)cc2)O[C@H](C)C1 1540897767 RVULTEDIGBGTRN-VQIMIIECSA-N 479.578 2.123 30 10 JEEE C[C@H]1C[C@H](C)CN(CCCn2c(COc3ccc(C#N)cc3)nnc2N2CCNC(=O)CC2)C1 1543614144 HEQGDYWPTTXECV-PMACEKPBSA-N 465.602 2.423 30 10 JEEE CCc1ccccc1OCc1nnc(N(C)[C@@H](C)CC#N)n1CC1(O)CCS(=O)(=O)CC1 1546277287 AOUPUBODIMJSNF-KRWDZBQOSA-N 461.588 2.098 30 10 JEEE C#CCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1587879073 OACJPUGJMWPUAR-IBGZPJMESA-N 462.558 2.419 30 10 JEEE C#CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCNS(=O)(=O)c1ccccc1 1588020391 LQRFJNBKRMCJMD-IBGZPJMESA-N 488.614 2.398 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CC(C)(C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1588039691 CCQBLEXIZBYMPC-FQEVSTJZSA-N 492.045 2.336 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC[C@H](OCC)C1CCCC1)[C@@H]1CCS(=O)(=O)C1 1588049314 FAAHWXIBKLULNL-RTWAWAEBSA-N 474.631 2.291 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCCC1 1588550266 LRCABDUDDQLXLK-FQEVSTJZSA-N 459.591 2.445 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](F)c2ccc(Br)cc2)CC1 1588806346 NVEOHEJGCIHXMS-ZWKOTPCHSA-N 475.366 2.458 30 10 JEEE C=C(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1593600054 CKUGASZPZMOZGV-UHFFFAOYSA-N 458.950 2.110 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCc2c(Cl)cccc2C1 1595467585 XSLZQVXDGVEIPI-UHFFFAOYSA-N 451.918 2.444 30 10 JEEE C=CCNC(=O)Cn1c(N2CCOC(C)(C)[C@H]2C)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1595602463 KUONVWMFYDPBDN-ZACQAIPSSA-N 462.595 2.355 30 10 JEEE C=CCNS(=O)(=O)c1cccc(C(=O)N(C)Cc2nnc3n2CCC[C@H]3C(F)(F)F)c1 1595647516 DOZXGBOCAFURDY-OAHLLOKOSA-N 457.478 2.454 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(OC)cc2)nnc1N1CCSC[C@@H]1C 1595824070 WIWNSPQLNMFGPK-INIZCTEOSA-N 452.602 2.408 30 10 JEEE C=CCn1c(SCC(=O)NCC2(S(N)(=O)=O)CCC2)nnc1-c1ccc(Cl)cc1 1596303110 FYVOWACPYCYSHN-UHFFFAOYSA-N 455.993 2.204 30 10 JEEE CCOC(=O)[C@@H]1S/C(=N/C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)N(C)[C@H]1C 1613895727 LRBUKJPGRCUIOB-ZUEMKMAFSA-N 480.033 2.436 30 10 JEEE COc1ccc(O[C@@H](C)Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@@H](C#N)C2)cc1 1619301978 FAAGEASIWGOXMB-LPHOPBHVSA-N 463.498 2.130 30 10 JEEE COCC[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1619768405 GTCDIRWAEKRQJC-RUZDIDTESA-N 476.585 2.338 30 10 JEEE C=C(C)C[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCCO2)c1)C(=O)OCC 1633297384 PMVILWULBKVPFY-NVXWUHKLSA-N 458.964 2.425 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1689848030 NFNRXGIOVGEYOI-IRXDYDNUSA-N 454.556 2.340 30 10 JEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1689916734 UNZIZBJBMBFGSQ-SFHVURJKSA-N 457.600 2.455 30 10 JEEE C#CCN(c1nnc([C@H]2COc3ccccc3O2)n1CCCCOCC)[C@H]1CCS(=O)(=O)C1 1689990179 MKWGKQOSOKDYEJ-GHTZIAJQSA-N 474.583 2.234 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCCCNC(=O)OC(C)(C)C)CC1 1690113471 KOLQZVAVLPVUHH-VWLOTQADSA-N 490.649 2.379 30 10 JEEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCc2oncc2C1 1690159678 JLQJIVFJRZBNAR-UHFFFAOYSA-N 472.596 2.113 30 10 JEEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC(=O)N(C)[C@@H](C)C1 1690345699 BALGPZIVWJYKEF-GJZGRUSLSA-N 454.959 2.006 30 10 JEEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(N2CCSCC2)CCCCC1 1690515360 LEGLTHGSRZIFQW-QGZVFWFLSA-N 456.682 2.262 30 10 JEEE C=CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(CCOC)[C@@H](CCC)C1 1690640966 XCWWHNLTYFRIOU-SFHVURJKSA-N 451.575 2.315 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(c2ncc(F)cn2)CC1 1690661715 DVQRKEDRRHQDND-UHFFFAOYSA-N 488.474 2.104 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccnc2OCC(F)(F)F)C1 1690697577 XZNUARAPEOXQHG-JKSUJKDBSA-N 466.464 2.395 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1690717871 SNWRILCHETUTOA-IEBWSBKVSA-N 486.598 2.176 30 10 JEEE CC(C)NS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@](C)(C#N)C1 1692571734 FEUCTWSZDSEAMA-OAQYLSRUSA-N 460.560 2.132 30 10 JEEE COc1ccccc1N1CC[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)C[C@H](C)C#N)C1 1697600771 DQBMHORRGQVXJV-SQNIBIBYSA-N 475.619 2.019 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2CCCN2CCCO[C@@H](C)C2)c1 1705506765 HYFUSPYKFSJDCO-RBBKRZOGSA-N 480.613 2.339 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCCO3)n2CCCc2cnn(C)n2)c1 1705507361 YXAZDZMDKYGRDE-NRFANRHFSA-N 462.558 2.337 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](Oc2ccccc2Cl)C1 1705534408 HPZXCVGIGRBPQS-XLIONFOSSA-N 494.017 2.336 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1C[C@H]1C)[C@H]1CCS(=O)(=O)C1 1705560179 FEAZANWIDDJBOL-IPYPFGDCSA-N 452.378 2.318 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[S@@](=O)C(C)(C)C 1705619491 SCAYETKRCLRBIR-AZYRPFHASA-N 483.635 2.214 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@](O)(c1ccccc1)C(F)(F)F 1705621104 RNYBYGAKCPYSFU-NRFANRHFSA-N 465.476 2.050 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)(C)N1CCC[C@@H](C)C1 1705667085 NAOCDTXSVAKTKJ-JBYIUTFZSA-N 450.653 2.391 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)(C)N1CCC[C@H](C)C1 1705667087 NAOCDTXSVAKTKJ-NJNPRVFISA-N 450.653 2.391 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNC(=O)C(C)C 1705865251 USVLNXCDEBBCNG-SFHVURJKSA-N 463.579 2.284 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)N2CCCC2)CC1)C(C)C 1705867565 PZHDWVOQDCELEL-FGZHOGPDSA-N 498.676 2.266 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N(C)Cc1c(C)nn(C)c1C 1705895327 BTGZRPQMUSKYBR-UHFFFAOYSA-N 475.395 2.335 30 10 JEEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1705907134 BBKGCMSYIMDVJB-AWEZNQCLSA-N 486.520 2.120 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC[C@@H](C(=O)OC)C1 1705930989 BDIWUTVKQHDDEW-GOSISDBHSA-N 484.582 2.325 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1705933361 DQZNRXQFWRYVNO-INIZCTEOSA-N 482.532 2.490 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1C[C@@H](C)O[C@H](c2ccsc2)C1 1705936507 RVQLXUWQGAHBFI-NUJGCVRESA-N 452.602 2.411 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(=O)NCC(F)F 1706074826 FQEXKLKGUMIENG-GJZGRUSLSA-N 469.537 2.370 30 10 JEEE CCN1CCN(CCCn2c(COc3ccc(C#N)cc3)nnc2N2CCCO[C@@H](C)C2)CC1 1710301422 DBBPGFNIKODAAT-NRFANRHFSA-N 467.618 2.372 30 10 JEEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCO[C@@H]2CCCC[C@H]2C)CCO1 1711362835 GROQMUBYGCMVDJ-UIFIKXQLSA-N 452.559 2.363 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(OC)nc1 1722295777 MDSPBQFGHWEFSO-WMZOPIPTSA-N 456.547 2.496 30 10 JEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C(=O)N(C)c2ccccc2)C1 1722316502 JCXWOKRKBGHELL-VQTJNVASSA-N 469.611 2.473 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](Cc2ccccc2)C1 1722332341 JHSKJWAKVILHJN-LEWJYISDSA-N 457.600 2.093 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@]1(C)CN(C)C1=O)[C@H]1CCS(=O)(=O)C1 1722364650 MEBJTPURFXLKKZ-ZYLNGJIFSA-N 499.637 2.140 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1CCN1CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1722366964 UHLCOTPIQJNJSC-QUCCMNQESA-N 459.591 2.119 30 10 JEEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H](C)CN1CCOCC1 1722383396 OXQFIZIMGKBWAK-NRFANRHFSA-N 484.645 2.434 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@]2(O)CCO[C@@H]2C)CC1 1722433993 JVHRDEYNPPCITA-AUUYWEPGSA-N 466.405 2.064 30 10 JEEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CCCNc2ccc(C(F)(F)F)cn2)CC1 1722438120 MQDPZFKPKZPHQP-UHFFFAOYSA-N 471.491 2.406 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(S(C)(=O)=O)cc1 1722466313 PUMJMYZVWVCQGQ-HSZRJFAPSA-N 464.551 2.369 30 10 JEEE C=C1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H](C)N2CCOCC2)CC1 1722566306 OTYCFHCHINCFFM-VQTJNVASSA-N 476.622 2.464 30 10 JEEE C=CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1722683752 ZACLZMLMEDXDSB-SFHVURJKSA-N 454.575 2.281 30 10 JEEE CCO[C@@]1(c2nnc(N(C)[C@H](C)CC#N)n2Cc2cccc(CS(C)(=O)=O)c2)CCOC1 1728753013 BWKNPAPEUUXAFU-VGSWGCGISA-N 461.588 2.261 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3csc(N4CCOCC4)n3)n2C[C@H](C)OC)c1 1740562987 PJXTYOZXMUXGDH-KRWDZBQOSA-N 495.609 2.329 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2C[C@@H]2CCCCO2)c1 1740565478 WDHKSFBVTBACNP-FQEVSTJZSA-N 450.543 2.026 30 10 JEEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCNS(=O)(=O)Cc1ccon1 1740603537 VZPGAZXWZCFGAI-OAHLLOKOSA-N 474.612 2.308 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1Cc1ccc(OC)nc1OC)[C@H]1CCS(=O)(=O)C1 1740626658 YBYBSRLRSSMHRQ-SFHVURJKSA-N 487.607 2.018 30 10 JEEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1740743520 YHGUFUGJBZWFLD-OAHLLOKOSA-N 451.369 2.119 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@@H](C(N)=O)C1 1740755382 ZYBPIYDTNMGNGV-QINHECLXSA-N 471.558 2.264 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2(O)CCCCCC2)CC1 1740839883 QANWLVJMJSUNHF-IBGZPJMESA-N 467.636 2.099 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N(CCS(C)(=O)=O)C1CC1 1740954841 SOVVEALKHUVFDQ-UHFFFAOYSA-N 482.404 2.023 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(C)[C@H](C)c1cccc(N2CCOC2=O)c1 1740957624 UYADXAUVWNWPNF-MRXNPFEDSA-N 464.530 2.135 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1740989155 BRNXGVUFHHQXHF-SFHVURJKSA-N 474.562 2.095 30 10 JEEE Cc1nn(C)c(N2CCN(c3nnc(C(=O)NC(C)C)n3CC3(C(C)C)CC3)CC2)c1C#N 1742668857 DVFLMMMUDRCQEZ-UHFFFAOYSA-N 453.595 2.093 30 10 JEEE CCN(Cc1cnn(C)c1)c1nnc(COc2ccc(C#N)cc2)n1CCN1CCOC[C@H]1C 1746243434 CUDWCZJERAOBFW-LJQANCHMSA-N 464.574 2.209 30 10 JEEE C#CCN(c1nnc(C)n1CCc1cc(Br)ccc1F)[C@@H]1CCS(=O)(=O)C1 1748804506 IKOMHBDMHNRNSB-MRXNPFEDSA-N 455.353 2.358 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H](CC(C)C)NC(=O)OCC)[C@@H]1CCS(=O)(=O)C1 1748814356 DQRPQOUEONHYHE-AQNXPRMDSA-N 495.646 2.307 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCN1CCOC(C)(C)C1 1748948769 VQVQELBKFYWJFI-UHFFFAOYSA-N 468.602 2.344 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC2([S@](C)=O)CC2)CC1 1748991234 UBJALXXFMVMRJG-XRSWDHFMSA-N 490.674 2.059 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2CCN(C)CC(F)(F)F)CC1 1749015714 KROIZGCQQYNNEH-UHFFFAOYSA-N 454.541 2.471 30 10 JEEE COc1ccccc1Cc1nnc(N2CCO[C@@H](C#N)C2)n1CCCN1C[C@H](C)O[C@H](C)C1 1749043020 GGEIBGSKGRJRET-ZVDOUQERSA-N 454.575 2.106 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)CCC(=O)NC 1749128101 RWJWCAAXQBONOQ-HTAPYJJXSA-N 479.585 2.228 30 10 JEEE C=CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1749430086 IXVCIRBDPVBRRN-GAJHUEQPSA-N 460.579 2.269 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1749658893 XQFHJOZZEFNZHL-UHFFFAOYSA-N 462.945 2.494 30 10 JEEE N#C[C@@]1(F)CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H]2CCCS(=O)(=O)C2)C1 1750377314 AGXFCVMKJFFMDT-IERDGZPVSA-N 494.980 2.128 30 10 JEEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1760141366 RPIWWMVMWSDBMV-UHFFFAOYSA-N 452.559 2.376 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCCNC(=O)c1occc1C)[C@H]1CCS(=O)(=O)C1 1760182431 FSPSMPOHYLWGEK-SFHVURJKSA-N 485.566 2.195 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1CC(=O)NC1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1760184213 GWPYWAJKSJFDLG-HXUWFJFHSA-N 469.611 2.329 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@@H]1CCC[C@H]1OC)[C@H]1CCS(=O)(=O)C1 1760190400 QEEPMVXYQWPEKW-IRFCIJBXSA-N 460.575 2.450 30 10 JEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1nccn1C(F)F 1760205798 KACQMHMMRWEQSU-UHFFFAOYSA-N 451.485 2.165 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cscc1C(F)(F)F 1760232742 CZIWVPMLWDRDLD-OAHLLOKOSA-N 477.534 2.199 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCC(=O)N(CC)CC)CC1 1760255279 GFJMHOCYGCQORA-UHFFFAOYSA-N 453.547 2.257 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccc(OC)c(OCC)c2)CC1 1760257075 OATSBUXYKHGZNX-RUZDIDTESA-N 469.586 2.141 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2ccsc2)CC1 1760260802 BTMWLPQTYLECDQ-LJQANCHMSA-N 472.615 2.452 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2CC[C@@H](C(F)F)N2CCOCC2)CC1 1760270398 WPTXPMPFHWEPQW-FQEVSTJZSA-N 478.588 2.258 30 10 JEEE C#CCSCCn1c(-c2ccc(C)o2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1760276534 HKUYMOLYIUCETO-UHFFFAOYSA-N 469.571 2.270 30 10 JEEE C=C(C)Cn1c(COc2ccc(OC)cc2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1760348132 UPXLGJNDEFKDBX-SFHVURJKSA-N 454.575 2.231 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cnccn2)n1CC(=O)NCC(F)(F)F 1760479125 DZTHHKOBDSHXRA-UHFFFAOYSA-N 456.432 2.478 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1760519129 SGRCFAOSFBQVDB-LBPRGKRZSA-N 483.392 2.348 30 10 JEEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(C)CC(=O)Nc1c(C)cc(C)cc1C 1760521349 QHGSYFHLDMFYCB-UHFFFAOYSA-N 493.568 2.308 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCC2(CC2)C1 1760522372 RVAGBOXSIZNAOE-KRWDZBQOSA-N 460.579 2.269 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1760534159 ZTUPHIQQWSZBDB-IBGZPJMESA-N 481.601 2.472 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3OC)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1760540791 OUOFRJGZGXAXRV-BIBRTQAFSA-N 464.526 2.261 30 10 JEEE CC(C)(Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1)N1CCCCC1 1760812013 HWPSKBNDJXWIKV-UHFFFAOYSA-N 472.615 2.228 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(C)cc1O[C@H]1CCOC1 1764187142 FJLXBKGXOMZGKK-SFTDATJTSA-N 482.585 2.450 30 10 JEEE CN(CCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1)CC(F)(F)F 1767332531 BHMJHZRNTLXPKX-OAQYLSRUSA-N 479.507 2.315 30 10 JEEE COc1ccccc1-c1nnc(N(CCC#N)CC2CC2)n1CCN1CCN(C(C)=O)CC1 1768866913 FGSFQHVLQVNNLL-UHFFFAOYSA-N 451.575 2.248 30 10 JEEE CN(C(=O)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(NS(=O)(=O)c2ccccc2C#N)cn1 1858272811 YAJGJBKUOTZRKG-UHFFFAOYSA-N 499.574 2.281 30 10 JEEE C=CCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2C)[C@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1864892298 FQIYRAJQSAKSDE-CYBMUJFWSA-N 481.387 2.115 30 10 JEEE C[C@@H](NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O 1866871225 CNRGQQVVOLMUDP-AUUYWEPGSA-N 479.562 2.394 30 10 JEEE C=CCOc1ccccc1OCC(=O)N1CC(Oc2ccc(C(=O)N3CCOCC3)cc2)C1 1869880984 JFAZGDIJHIXMHF-UHFFFAOYSA-N 452.507 2.392 30 10 JEEE C=CCn1cc(OCC(=O)Nc2ccc(I)cc2)c(=O)cc1CN(C)CCO 1870596865 RCKNWOUMHHWCQU-UHFFFAOYSA-N 497.333 2.081 30 10 JEEE COCCN1CC(=O)C(c2nc3ccccc3s2)=C1NC(=O)[C@H]1CC(=O)N(C(C)(C)C)C1 1873711161 JMVGGDZOYNLPOW-AWEZNQCLSA-N 456.568 2.259 30 10 JEEE COc1cc(C=CC(=O)N(C)c2c(O)nc(=O)n(Cc3ccccc3)c2N)ccc1OCC#N 2042443612 LPHXBYBEUSPVIO-UHFFFAOYSA-N 461.478 2.167 30 10 JEEE CC(C)(C)OC(=O)N[C@@]1(C(=O)Nc2ccc(Br)cc2C#N)CCS(=O)(=O)C1 2181104554 ALIVADSMKBLKAF-KRWDZBQOSA-N 458.334 2.341 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1CCC[C@@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)O1 2193845516 KQXBDAQDIBOGGV-CVEARBPZSA-N 462.356 2.177 30 10 JEEE CC1(NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)CN(C(=O)OC(C)(C)C)C1 2247950476 BJQJMYQMUDSGRI-UHFFFAOYSA-N 458.411 2.335 30 10 JEEE C=C(CS(=O)(=O)N=[S@](C)(=O)CCN(C)C(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2247985886 NWPIYLBJQSMAHK-GDLZYMKVSA-N 466.431 2.469 30 10 JEEE CC(C)(C)OC(=O)N[C@]1(CNC(=O)c2csc(B3OC(C)(C)C(C)(C)O3)c2)CCOC1 2255854271 ABYQVUZPHHEANO-NRFANRHFSA-N 452.382 2.461 30 10 JEEE CC(C)(C)OC(=O)N1[C@H]2C[C@@H]1CN(S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)C2 2255941057 GNCGVROEROEBSP-OKILXGFUSA-N 470.422 2.430 30 10 JEEE Cc1ccnc(C(=O)N=[S@@](C)(=O)CCNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267198219 VHIFZMTUKXJEHP-YTTGMZPUSA-N 467.397 2.452 30 10 JEEE CON(C1CN(C(=O)OC(C)(C)C)C1)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2267375520 IKNAAHIDYDPZQJ-UHFFFAOYSA-N 468.381 2.157 30 10 JEEE CC(C)N(CCN(C)C(=O)OC(C)(C)C)C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2267519139 FZKCPBWAYAXCBL-UHFFFAOYSA-N 450.389 2.437 30 10 JEEE CO[C@H]1C[C@H](CNC(=O)OC(C)(C)C)N(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)C1 2267558085 XGBULKIKAOKWDI-CABCVRRESA-N 450.341 2.333 30 10 JEEE C[C@@H](N(Cc1ccccc1)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C)C(C)(C)O 2267717262 ACOGASRKNYUMDJ-MRXNPFEDSA-N 463.409 2.070 30 10 JEEE CC(C)(C)OC(=O)N1CCSC(C)(C)[C@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2268717804 VGMZFOAMDYTPDI-GFCCVEGCSA-N 484.453 2.329 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 2281969853 OHGKRENUVWHZKY-IYBDPMFKSA-N 460.384 2.426 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]3C[C@H]2[C@H]1[C@@H]3NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2281990861 SJAKGJCRIDMKPA-MIMASFHYSA-N 458.368 2.083 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1C(F)(F)F 2281991669 DGRWHNNGKYPUIC-CYBMUJFWSA-N 474.289 2.333 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@]2(CNC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C1 2281995615 FKDJNBAOHCVIMA-RCDICMHDSA-N 479.408 2.198 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@H]1CN(CCO)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2282002456 OMVADLYAKKJZIQ-HNNXBMFYSA-N 481.424 2.276 30 10 JEEE 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)cnn1C 2282044815 WMAFXQUKEYCJDF-BZUAXINKSA-N 460.384 2.047 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H]3CN(Cc4ccccc4)CC[C@H]3C2)n1 2282046831 QGZXNEMEIPOCHG-PMACEKPBSA-N 450.392 2.313 30 10 JEEE Cn1nc(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)c1Cl 2282049598 BOILBHANAQXVEN-OLZOCXBDSA-N 486.781 2.450 30 10 JEEE CC(C)(C)OC(=O)N1[C@H](CNC(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)COC1(C)C 2282171692 MTVBJQCGKYESKR-QGZVFWFLSA-N 461.368 2.483 30 10 JEEE Cc1cnc(C(=O)NC[C@H]2CCCN(C(=O)C(F)(F)F)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2282643974 IASJLTVPSJKUSN-CQSZACIVSA-N 455.286 2.220 30 10 JEEE CC(C)(C)OC(=O)NCC[C@H]1CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)CCO1 2282676967 RFIZPWJOENSFTD-KRWDZBQOSA-N 461.368 2.137 30 10 JEEE CN1C[C@@H](NC(=O)OC(C)(C)C)[C@H](Oc2ccc([N+](=O)[O-])c(B3OC(C)(C)C(C)(C)O3)c2)C1 2283002415 WDPBBVGGFWPSIM-SJLPKXTDSA-N 463.340 2.480 30 10 JEEE COc1ccc(NC(=O)C2(CO)CN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2283967939 IDNHTMPFHBIRPK-UHFFFAOYSA-N 462.352 2.162 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1COC[C@@H]1C(=O)N1Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C1 2283973300 UOKISXDQVSWSJV-OALUTQOASA-N 458.364 2.368 30 10 JEEE C[C@H](NC(=O)[C@H]1CC[C@@H](O)CN1C(=O)OC(C)(C)C)c1nscc1B1OC(C)(C)C(C)(C)O1 2284062995 OINFBZJSLWDQOR-SQWLQELKSA-N 481.424 2.380 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N(CCNC(=O)OC(C)(C)C)C[C@@H](C)O 2285348443 VUYMZDGBYLCEJL-MRXNPFEDSA-N 463.384 2.037 30 10 JEEE Cc1cnc(C(=O)N2CCC[C@@H](NC(=O)C(F)(F)F)CC2)c(B2OC(C)(C)C(C)(C)O2)c1 2286119627 GCZJQEGZFJKNCY-CQSZACIVSA-N 455.286 2.362 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCN(C(=O)OCc3ccccc3)CC2)n1C 2315525494 WPAWCYYYCGVXEV-UHFFFAOYSA-N 468.363 2.122 30 10 JEEE COc1cc(C=Nn2c(SCC(N)=O)nnc2[C@H]2CCCO2)cc(Br)c1O 2330943670 DKLPOVKILOXJRN-LLVKDONJSA-N 456.322 2.066 30 10 JEEE COC(=O)c1ccc(/C=N/Nc2nnc(SCCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2N)cc1 20914072 UDJYULPVXSFWNL-WSDLNYQXSA-N 484.498 2.254 30 10 JEEE CCN(CC)c1ccc(/C=N/Nc2nnc(SCC(=O)Nc3nc(C)cs3)n2N)c(O)c1 21325851 WIUVAMGHXYXRGF-ZVBGSRNCSA-N 475.604 2.485 30 10 JEEE C=CCOc1ccccc1[C@H]1c2c(nc(N3CCC(C(=O)OCC)CC3)[nH]c2=O)NC(=O)[C@@H]1C#N 72444780 RAUHWOTVVIKBNG-IEBWSBKVSA-N 477.521 2.338 30 10 JEEE C[C@@H]1C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@H]3C(=O)C[C@]2(C)[C@]1(O)C(=O)COC(=O)CCC(=O)O 306121957 NSUOIXNBPZQTLB-AGTAPQLCSA-N 472.534 2.428 30 10 JEEE C[C@@H](C(=O)c1ccc2c(c1)N(C)C(=O)CO2)[S@](=O)CC(=O)Nc1sc2c(c1C#N)CCC2 586354315 YEBIKDHXBWFZRV-PYFHWHSVSA-N 471.560 2.422 30 10 JEEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(Cl)cc2NS(=O)(=O)c2ccccc2)CC1 590030752 BVJAASWQMAAWOE-UHFFFAOYSA-N 476.986 2.201 30 10 JEEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)cc1 749125810 DTZXEAYKUNMELF-RTAFMGCNSA-N 496.636 2.353 30 10 JEEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O 911564864 DRGMUUAHYGDUHX-BZSNNMDCSA-N 455.511 2.439 30 10 JEEE COc1cccc(CNC(=O)CSc2n[nH]c(NN=Cc3ccc(O)cc3O)n2)c1OC 1084460491 ZRMMCUIQTQQJOE-UHFFFAOYSA-N 458.500 2.088 30 10 JEEE C=CCn1c(SCC(=O)NCC(C)(C)NS(C)(=O)=O)nnc1-c1ccc(Cl)cc1 1125945429 MTBGMWPQHDOGCO-UHFFFAOYSA-N 458.009 2.321 30 10 JEEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2cc(F)c(Cl)cc2N2CCOCC2)c1 1160618832 JWSMDGWYJBGDJP-UHFFFAOYSA-N 451.907 2.480 30 10 JEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1286355956 GPZISEXZAOQZIO-UHFFFAOYSA-N 481.582 2.378 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1CCCN1CCOC1=O)[C@@H]1CCS(=O)(=O)C1 1286388606 SHKOZIDQCVTCTH-MRXNPFEDSA-N 495.964 2.207 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@@]1(N(C)C)CCSC1)[C@@H]1CCS(=O)(=O)C1 1286393044 JFRPWTWJWBRVOI-XXBNENTESA-N 491.658 2.072 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@H](C)N1CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1286395640 SAIOYWITHSWRQO-ONTIZHBOSA-N 470.643 2.011 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CCN(C(=O)OC(C)(C)C)C2CC2)CC1 1286478795 CLSYWWZXPVGEKG-LJQANCHMSA-N 458.607 2.327 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccsc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1286567475 VNXSMOPQMJOPEM-SIKLNZKXSA-N 458.632 2.122 30 10 JEEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1286613057 PEICHZJJMDOPMY-MSOLQXFVSA-N 461.588 2.247 30 10 JEEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 1286629115 KBRXMLMCPXCHDW-GOSISDBHSA-N 496.977 2.441 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2cccs2)CC1 1286663218 ISDQHMPVHBYZSL-SFHVURJKSA-N 451.618 2.318 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCOCC1)C(C)C 1286751010 KXAGSRDLWPPWGN-PMACEKPBSA-N 451.637 2.106 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1286784399 GNMJGOAQHNHHRP-MRXNPFEDSA-N 481.022 2.009 30 10 JEEE CC(=O)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1286867694 BWLHQTCDXDKPFX-QFIPXVFZSA-N 479.585 2.046 30 10 JEEE CC(C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCS(=O)(=O)c1ccccc1 1287217780 DDHGIZOMEMZQOX-GOSISDBHSA-N 480.598 2.252 30 10 JEEE CC(C)N1CCC(O)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)CC1 1287972983 AHIZSCVVUYOWPP-NRFANRHFSA-N 486.642 2.065 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1C[C@@H]1CCCN1Cc1ccccc1 1288773028 HWWKYMUMYDACIO-BJLQDIEVSA-N 459.620 2.291 30 10 JEEE COc1ccc(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)cc1OC(F)F 1300150360 HFEVBIOTZOUAGT-BTYIYWSLSA-N 499.515 2.475 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ccccc1C(C)C 1300311599 UMRPYKNLOJBWIG-GHTZIAJQSA-N 475.615 2.271 30 10 JEEE C#CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@H](CC(N)=O)C1 1300358449 VJNYJGPGIFYKKG-QGZVFWFLSA-N 457.604 2.134 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCc1scnc1C)[C@@H]1CCS(=O)(=O)C1 1300481755 BSRCJRYDFWOBIU-LJQANCHMSA-N 466.592 2.451 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC2CCS(=O)(=O)CC2)CC1 1300688709 JVNZYINNFZGXDF-UHFFFAOYSA-N 479.553 2.127 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(Br)cc3)n2C[C@@H](COC)OC)CC1 1300708275 QEYHMUSICUMXPE-IBGZPJMESA-N 478.391 2.036 30 10 JEEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 1300763855 XUYZLYYOXSLPFF-YADHBBJMSA-N 455.628 2.394 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1300877784 ZSXGIRKWPDZPOQ-AZUAARDMSA-N 473.622 2.124 30 10 JEEE C=CC[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)N(C)C)CC1)c1ccccc1 1301165559 HZNBJSCPTDXVEA-OAQYLSRUSA-N 462.602 2.249 30 10 JEEE C=CCN(CC=C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCS(C)(=O)=O 1301383154 GSNWAOSLQKFEDQ-UHFFFAOYSA-N 456.572 2.459 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1301492783 NWOHKHRSCJQLSZ-UHFFFAOYSA-N 496.612 2.493 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1301576676 XSFQMESPLVYBRR-MBSDFSHPSA-N 476.599 2.329 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CC[C@](O)(c2cccc(F)c2)C1 1301579872 ZTHJQNHHCICSHK-JOCHJYFZSA-N 457.531 2.178 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1301596685 VVAKEIMLBNPDQK-XUVXKRRUSA-N 481.663 2.102 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1Cc1ccnc(OCC(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 1358964441 ZERHLLLXZFTZSG-QGZVFWFLSA-N 485.532 2.488 30 10 JEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(N2CCOC2=O)cc1 1358982390 VNOXOTUUWIZSSA-UHFFFAOYSA-N 474.546 2.347 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cn2nc(C)cc2C)n1CCN1CCN(C(C)=O)CC1 1359017494 HDYVAWCFUPBXQD-UHFFFAOYSA-N 492.603 2.083 30 10 JEEE C#CCSCCn1c(-c2cccn2C)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1359053969 GEHLSURAZAMPDA-DENIHFKCSA-N 469.659 2.029 30 10 JEEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN(Cc2csc(CC)n2)CC1 1359055309 ZXDNJSKVMGOFTO-UHFFFAOYSA-N 454.629 2.443 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC(=O)Nc1c(C)cc(C)cc1C 1359122020 SSCCMVQDHFESEO-IBGZPJMESA-N 490.630 2.187 30 10 JEEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1359125982 AWZVWVXXJPMKDE-UHFFFAOYSA-N 482.589 2.244 30 10 JEEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N(C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 1359303157 FXNWQJRMSXPEEK-RBBKRZOGSA-N 479.629 2.192 30 10 JEEE C[C@H](CC#N)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC[S@](=O)C(C)(C)C 1360474107 HMBBHJDJIWXLOI-YPSMLTEGSA-N 455.588 2.478 30 10 JEEE CC1(C(=O)N2CCC(n3cc(C(N)=O)nn3)CC2)CCN(c2ccc(Cl)cc2C#N)CC1 1453502780 FMOVLMHLLNTYGB-UHFFFAOYSA-N 455.950 2.372 30 10 JEEE C#CC[C@@H]1CCCN(CC(=O)N(CC(C)C)c2c(O)nc(=O)n(Cc3ccccc3)c2N)C1 1460291354 WKNUDFDWRFUVQD-LJQANCHMSA-N 451.571 2.304 30 10 JEEE CCCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N(C)Cc1cccc(C#N)c1 1501215226 HUBUVSMWEVXSRR-UHFFFAOYSA-N 451.556 2.304 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1CCCCCS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 1507627042 CEXONGDMLALORD-LJQANCHMSA-N 478.640 2.095 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CCC1CCC(OC)CC1)[C@@H]1CCS(=O)(=O)C1 1507633175 CCDNZXIZIYCULG-NJEKYYFSSA-N 471.627 2.486 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1CC[C@H](CO)O1 1507669931 VMLIQLQKRGTBIT-PCCBWWKXSA-N 471.602 2.395 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1C[C@@H]1[C@H](C)CCN1C(=O)OC(C)(C)C 1507710140 KESMVXFGCUQAEF-IEBWSBKVSA-N 455.563 2.467 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc4c(s3)CC[C@H](C)C4)n2CCS(=O)(=O)CC)CC1 1507721523 VBMXOGIGLDWXJO-KRWDZBQOSA-N 461.657 2.321 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2cccc(C)c2)CC1 1507752014 TZDJUOLBVKVAEH-NRFANRHFSA-N 473.668 2.177 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCC(CC(=O)N2CCN(CC)CC2)CC1 1507845141 WXZFJANXVYKJTB-JOCHJYFZSA-N 474.650 2.145 30 10 JEEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)C[C@H]1COc2ccccc2O1 1507868056 DVRHJAMQIYASHL-QFBILLFUSA-N 498.005 2.030 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC(=O)NC(C)(C)C 1508031800 AGJLHVZGUFCBJS-KRWDZBQOSA-N 463.604 2.313 30 10 JEEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@@H](C)[C@H]1CC 1508073023 LQLMWAPTCGLCHR-NVXWUHKLSA-N 459.620 2.474 30 10 JEEE C/C(=C\c1ccccc1)CN(C)c1nnc(CN2CCCC2=O)n1CCN/C(O)=C1/N=CC=CC1=O 1508169736 MCVKBJWFQKUQAD-MKZWRQFNSA-N 489.580 2.467 30 10 JEEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCC[C@@H](C)C2)CC1 1508258790 HCFZBFGLTYNWNP-LJQANCHMSA-N 451.575 2.129 30 10 JEEE CCNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(C)CCCO2)CC1 1516015379 GACJCAVDFZKWFX-HSZRJFAPSA-N 453.547 2.149 30 10 JEEE C=CCC1(NC(=O)C2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)CCOCC1 1538509582 BXGLLZDCGCKYDR-UHFFFAOYSA-N 452.573 2.346 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CC(C)(C)CC=C)[C@H]1CCS(=O)(=O)C1 1539231761 WCJCBXTXUAGCRN-FHWLQOOXSA-N 450.605 2.231 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1OCC(F)(F)F 1539415987 JNIHPSZDCONREJ-QGZVFWFLSA-N 486.516 2.256 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@H]2CCCCS2(=O)=O)CC1 1539434431 LLHKJAWIDAXTBM-LJQANCHMSA-N 479.553 2.269 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2(O)CCCCCC2)CC1 1539434653 RQCXNRZQLNUGFX-UHFFFAOYSA-N 471.627 2.189 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2CCN2CC=CCC2)CC1 1539482572 NANJJMCJHFNZGI-UHFFFAOYSA-N 462.598 2.105 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCSCC(F)(F)F)CC1 1539488123 HVQFHHCWPRNMFW-UHFFFAOYSA-N 483.564 2.401 30 10 JEEE C#CCSCCn1c(N2CCN(C(=O)c3cc(C)oc3C)CC2)nnc1[C@@]1(OCC)CCOC1 1539530623 KHIYBLZOANPFHN-XMMPIXPASA-N 487.626 2.469 30 10 JEEE C=C(Br)Cn1c(N2CCO[C@@H](c3nnc(C)o3)C2)nnc1[C@]1(OC(C)C)CCOC1 1539612669 PIOMVXSTAFTVDR-BEFAXECRSA-N 483.367 2.497 30 10 JEEE C=C(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC(C(=O)NCCOC)CC1 1539699785 GRFYKEOUPJIAHB-UHFFFAOYSA-N 479.585 2.230 30 10 JEEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1539706302 FYWXDFKVBLADFY-OALUTQOASA-N 473.578 2.474 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)Cc1ccc(OC)cc1 1540071891 IITNZBYMBCMFQS-XLIONFOSSA-N 463.604 2.121 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)CN1CCOCC1 1540129823 ZWXMFNWFUCLUNH-NFBKMPQASA-N 498.653 2.213 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(CC)[C@H](C)C2)cc1 1540877586 ZLQYFDUSWJHCGW-QZTJIDSGSA-N 462.620 2.032 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 1540902816 RGNLPRHYZGJBAU-MSOLQXFVSA-N 483.635 2.219 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1540908004 AQUIILKJOOEJPM-HSALFYBXSA-N 492.646 2.109 30 10 JEEE C[C@@H]1CC(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCS(=O)(=O)CC2)C[C@@H](C)O1 1543690000 CQGJYZHGYPTJFQ-IAGOWNOFSA-N 459.572 2.167 30 10 JEEE N#Cc1ccc(N2CCN(C(=O)C3CCOCC3)[C@@H](C(=O)NC3CC3)C2)cc1C(F)(F)F 1548369539 RVBITZSLQZXCCC-LJQANCHMSA-N 450.461 2.299 30 10 JEEE Cn1ccc(C(=O)N2C[C@@H](C(N)=O)[C@H](C3CCN(c4ccc(C#N)c(C(F)(F)F)c4)CC3)C2)n1 1548393476 OYKMULBCOQCPQH-ZWKOTPCHSA-N 474.487 2.401 30 10 JEEE CN(C)C(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(C)CCCS2)CC1 1552742380 HMUIEKOPYIMPMZ-XMMPIXPASA-N 483.642 2.225 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2C[C@@H]2NC(=O)CC2(C)C)c1 1587689368 HUEDWOCDYFLFOW-FQEVSTJZSA-N 459.554 2.255 30 10 JEEE C#CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1587765979 NIHCKNIPFUTWSI-FGZHOGPDSA-N 456.635 2.499 30 10 JEEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1nnc2n1CCCCC2 1587904565 KBFRKWHLLJUOKI-UHFFFAOYSA-N 452.950 2.297 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@H](C(C)C)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1588049549 ICJWCIFAOHZYIN-UNMCSNQZSA-N 470.643 2.396 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H](c1ccccc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1588050401 SCHWDRRGCRVHGT-TZIWHRDSSA-N 452.584 2.203 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(C(=O)N2CCCCC2)cc1 1588180402 DVSKYGUFFQHVNA-HXUWFJFHSA-N 496.637 2.026 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(Br)c[nH]2)n1CCS(=O)(=O)CC=C 1588189977 WDWHEUZVYHIPMA-UHFFFAOYSA-N 450.362 2.099 30 10 JEEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1CC1(O)CCS(=O)(=O)CC1 1588288815 MFKKJBHHSUYCAU-UHFFFAOYSA-N 452.964 2.006 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H]2CCCN2CC)CC1 1588877133 WMUDLODTVDBPSE-QHAWAJNXSA-N 471.650 2.288 30 10 JEEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1595267346 RWRRYCDYCAJDGX-QGZVFWFLSA-N 450.584 2.408 30 10 JEEE C=CCNC(=O)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC[C@](C)(C#N)C1 1595569392 GPHPSFWZNADJML-AREMUKBSSA-N 476.629 2.075 30 10 JEEE C=CCOc1ccc(Cn2c([C@H]3CCCCO3)nnc2N2CCO[C@@H](CNC(C)=O)C2)cc1 1595614617 YEJNCPKNLVTJEB-FCHUYYIVSA-N 455.559 2.474 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCO[C@](C)(CC)C1 1595776636 CHEXAQRECLHTLZ-JOCHJYFZSA-N 462.572 2.322 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1595805855 WABGXDZRBZCTPH-SFHVURJKSA-N 487.047 2.137 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@H](c2nnc(N3CCO[C@H](C#N)C3)n2CC2(C(N)=O)CCCC2)C1 1597461798 FXMSBGHLTXJWMK-ZWKOTPCHSA-N 487.605 2.167 30 10 JEEE C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)c1ccccc1F 1611307767 GQWPVHVGNCREQR-VQIMIIECSA-N 478.594 2.466 30 10 JEEE COC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(N(C)C)CCOCC2)C1 1618851632 GUZKOQOKLUEMLN-FQEVSTJZSA-N 452.559 2.317 30 10 JEEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)N2CCC[C@H](C)C2)CC1=O 1619937311 GKGOQXMWMNFAFL-PMACEKPBSA-N 465.602 2.232 30 10 JEEE CC#CCN(C)C(=O)C1CCN(c2ccc(S(=O)(=O)N(CC)CC)cc2[N+](=O)[O-])CC1 1628796665 KAQDVDWCORGBAW-UHFFFAOYSA-N 450.561 2.323 30 10 JEEE Cc1ccc(S(=O)(=O)N[C@H](C(=O)Nc2ccc(Br)c(C#N)c2)[C@H](C)O)cc1 1635978801 BSRHHTXSSCGTJD-SJCJKPOMSA-N 452.330 2.296 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@@H](C)c1ncc(C)s1)[C@@H]1CCS(=O)(=O)C1 1689978388 USBMYMVKLGEKOL-CRAIPNDOSA-N 492.671 2.392 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1CCN(CC)CCC)[C@H]1CCS(=O)(=O)C1 1689984880 XJVDQJZRFXGPDW-FQEVSTJZSA-N 487.626 2.075 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1Cc1cccc(CN(C)C)c1)[C@H]1CCS(=O)(=O)C1 1689994502 ZKWZJNGLNGNJMU-QFIPXVFZSA-N 498.678 2.370 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2OC)n1CCC(=O)N1CCOCC1 1690038155 FGWSXEIRUGWRKD-UHFFFAOYSA-N 455.946 2.319 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](C)Oc2ccc(C)cc2)CC1 1690134731 CVNCNPSNBFRQJP-IBGZPJMESA-N 466.586 2.158 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCCCN2CCC(C)CC2)CC1 1690146848 ZDULNSLDCBGYIU-JOCHJYFZSA-N 456.635 2.260 30 10 JEEE C#CCSCCn1c(COc2ccc(F)cc2)nnc1N1CCN(c2nccc(OC)n2)CC1 1690185239 VRJDRIQQUGFOQB-UHFFFAOYSA-N 483.573 2.488 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(C)C(=O)C1 1690235826 FENWMIPRNGNAGH-PXNSSMCTSA-N 472.977 2.121 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2OC)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1690242829 DBIGYTVOGZIOLV-OPYAIIAOSA-N 475.615 2.453 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccn2C)n1C[C@@]1(O)CCS(=O)(=O)C1 1690569382 GYKNDBPYTJVOPL-QFIPXVFZSA-N 459.547 2.165 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](c2nc(CC)cs2)C1 1690722917 AQNGLAHXBORGIY-NVXWUHKLSA-N 478.644 2.233 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1690724327 MKAYMHCSAFTOCM-SFHVURJKSA-N 451.637 2.226 30 10 JEEE CC(C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1692548242 AYUUMBRZYXJXOO-UHFFFAOYSA-N 478.601 2.459 30 10 JEEE C#CCCCCn1c(-c2cnccn2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1705514309 QTVXZZZNYIJZAX-UHFFFAOYSA-N 450.591 2.063 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Cl)n1CCNC(=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1705564088 LCYHUSXBFKVXHX-INIZCTEOSA-N 478.018 2.388 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1CCNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1705569573 IELVFNFWFPCDDU-FQEVSTJZSA-N 487.626 2.215 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCN2CCC[C@H]2C)CC1 1705632092 HORMEAOFOJAXKJ-LJQANCHMSA-N 470.021 2.101 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2Cc2c(C)nn(C)c2C)CC1 1705646455 YUTDNIDEAATOBI-UHFFFAOYSA-N 491.596 2.327 30 10 JEEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1705655363 LPJKHOAHEDQCKR-ICSRJNTNSA-N 488.683 2.235 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC(C)C)cc1 1705674557 LURITBIPCHWWDE-XUZZJYLKSA-N 487.626 2.439 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1705933377 FGJFKOQMSKAMHY-QZTJIDSGSA-N 477.631 2.482 30 10 JEEE C=CCSCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC(=O)N(C)C[C@H]1C 1705941008 WEBWUERYZRITES-OAHLLOKOSA-N 477.660 2.133 30 10 JEEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@H]1CCCS(=O)(=O)C1 1706190289 GILZDRJEDRNANK-BIZBXSGISA-N 453.584 2.463 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc(N(C)C)nc1 1722295359 VVVFLNRXXMTWSC-MRXNPFEDSA-N 452.588 2.205 30 10 JEEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1722325046 DUDDQRSDXKUOTQ-UHFFFAOYSA-N 474.407 2.194 30 10 JEEE C#CCN(c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC1(O)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1722361301 YTFPPQPQDBIENL-OAQYLSRUSA-N 486.638 2.411 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCCN2CCN(CC)CC2)CC1 1722432224 XHCRJKADVMFQAO-QFIPXVFZSA-N 483.636 2.340 30 10 JEEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccccc2OCC(C)C)CC1 1722440146 DIXSRJSTQNWVKW-UHFFFAOYSA-N 450.587 2.239 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(NC(C)=O)CC1 1722491313 JWPOMACIUODJTE-FXAWDEMLSA-N 453.547 2.012 30 10 JEEE C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1722518952 XDFMQQZRFNUPOV-UHFFFAOYSA-N 462.396 2.356 30 10 JEEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 1722527319 GGNQBRGGSIKCIB-QGZVFWFLSA-N 459.547 2.080 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)N(C)Cc2ccccc2)CC1 1722566507 SQMPQYLFQRZOMN-IRLDBZIGSA-N 488.658 2.288 30 10 JEEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 1722617633 LQGUYJLQQOYSNQ-IAGOWNOFSA-N 453.609 2.497 30 10 JEEE C=CCN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CC(=O)N(CCOC)C1 1722633931 ZFOUHIVAMXFWLW-CQSZACIVSA-N 451.369 2.163 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1Cl 1722672328 OCEAOOPRKAEIGW-GOSISDBHSA-N 451.980 2.491 30 10 JEEE C=CCOc1ccc(Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CC[C@H](S(C)(=O)=O)C2)cc1 1722731926 OCHZIDSGPUDKIL-JBACZVJFSA-N 476.599 2.239 30 10 JEEE C=CCSCCn1c(-c2noc3c2COCC3)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1722737946 WZDUTTGFKCYTBQ-UONOGXRCSA-N 455.606 2.183 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccccc1OCC(F)(F)F 1723619678 ACFHBNYCXGTIRA-HNNXBMFYSA-N 452.437 2.134 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2C[C@H](C)CN2CCN(CC)CC2)c1 1740565190 MFIOZYILKOKPNX-ZJSXRUAMSA-N 493.656 2.459 30 10 JEEE C#CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1740576427 XAWMJKSLXNJHTM-TZIWHRDSSA-N 453.591 2.496 30 10 JEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1C[C@@H]1CC=CCO1)[C@H]1CCS(=O)(=O)C1 1740625127 OEHHGJCQDQMUKY-UNMCSNQZSA-N 470.595 2.044 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ncccc1N(C)C 1740664550 UZCHOKGPEGQFJJ-UHFFFAOYSA-N 467.599 2.164 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H](C2CC2)N(C)C)CC1 1740695007 ZVCTURWFTHSRFP-FGZHOGPDSA-N 485.677 2.488 30 10 JEEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1740714965 AXQILDMXHBWIAH-GOSISDBHSA-N 493.637 2.299 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1740759650 KCXHWODBVVNTSB-SIKLNZKXSA-N 453.591 2.278 30 10 JEEE C=C(C)COCCn1c(-c2ccccn2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1740790563 JMLRDMWAAYUHKA-NZQKXSOJSA-N 467.618 2.312 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(Br)n1 1740941666 PYABXVWHOVJNSK-AWEZNQCLSA-N 470.393 2.025 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2CCC(=O)N(C)C)C1 1740974985 QOHMFTMQXKGCJL-OAHLLOKOSA-N 451.369 2.306 30 10 JEEE CC(C)OCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1741762517 FWSOJYDOGOTXDP-HXUWFJFHSA-N 488.614 2.158 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Cl)cc2)n1CCS(=O)(=O)N1CCSCC1 1748686777 WQIQVYUNAOURFJ-MRXNPFEDSA-N 484.047 2.347 30 10 JEEE C#CCN(CC#CC)c1nnc(Cc2csc(C)n2)n1CC1(N2CCOCC2)CC(OCC)C1 1748896462 BLXGPOODFWECQT-UHFFFAOYSA-N 482.654 2.367 30 10 JEEE C#CCN(CC#CC)c1nnc(CCc2ccc(OC)cc2)n1C[C@H]1CCCS(=O)(=O)C1 1748898670 NYPJNQCWCBYFEK-OAQYLSRUSA-N 454.596 2.360 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(C)o3)n2CCc2ccc(S(C)(=O)=O)cc2)CC1 1748982894 FIWLJUKGRHWIJJ-UHFFFAOYSA-N 453.568 2.248 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccccc3C)n2CCNS(=O)(=O)c2ccc(C)s2)CC1 1748984299 QDELFKWSELUYAA-UHFFFAOYSA-N 484.651 2.357 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CC2(CCOC)CCC2)CC1 1749017230 XTPUYRCFIFNGQV-UHFFFAOYSA-N 450.587 2.437 30 10 JEEE C#CCSCCn1c(N2C[C@H](C)OC3(CCOCC3)C2)nnc1[C@@]1(OCC)CCOC1 1749047666 BUALFYHSINJYQU-PGRDOPGGSA-N 450.605 2.071 30 10 JEEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1749085761 FBGALTNLMATRRS-LSDHHAIUSA-N 472.413 2.143 30 10 JEEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1749115488 RJQWFPMSUORAMF-AJNGGQMLSA-N 465.414 2.169 30 10 JEEE C=C(C)Cn1c(-c2ccccc2OC)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1749186355 LJQMYPRIOSEJNT-UHFFFAOYSA-N 466.586 2.470 30 10 JEEE C=C(C)COCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1749219961 YOSXRLAKVOQOQH-UHFFFAOYSA-N 468.602 2.291 30 10 JEEE C=CCNC(=O)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC[C@H](C)C1 1749677459 ZTSILLTVMIYBRW-NRFANRHFSA-N 451.619 2.181 30 10 JEEE C=CCNC(=O)Cn1c(N2CCOCC3(CCC3)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1749681702 GICGPMKYANBIBI-HDICACEKSA-N 474.606 2.358 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCN2CCCS2(=O)=O)C1 1749719438 VJATXOJSGUXQGH-OAQYLSRUSA-N 475.615 2.291 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCN(c2ccccc2C#N)CC1 1749736757 OIVAMRLLMHFSKQ-UHFFFAOYSA-N 477.594 2.063 30 10 JEEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCC(N2CCc3ccccc32)CC1 1749740283 UBDDSCXJPBKYAA-UHFFFAOYSA-N 459.616 2.447 30 10 JEEE Cc1nn(C)c(N2CCN(c3nnc(CC(C)C)n3CC3([S@@](C)=O)CCC3)CC2)c1C#N 1751827398 DOEOSRWUZLQRKX-JGCGQSQUSA-N 458.636 2.018 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1CCCN(CC)S(C)(=O)=O 1760101062 HZNKKHXIDJRZIG-CQSZACIVSA-N 471.425 2.176 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(C)oc2ccccc12 1760117447 PBUFCPMNQBNBDT-QRWLVFNGSA-N 457.556 2.172 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3noc4c3COCC4)n2C[C@@H](C)N(C)C)c1 1760128316 FIVUHEGEDSYRQZ-MRXNPFEDSA-N 463.542 2.012 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2Cc2ccncc2Cl)c1 1760128412 HOLLZDKJDLWUSK-LJQANCHMSA-N 463.929 2.382 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CCCSC1)[C@@H]1CCS(=O)(=O)C1 1760181130 QAYDOUYFGDLBSY-JQVVWYNYSA-N 482.672 2.089 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1C[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1760181296 RZWBCNJMLVPQJZ-OFQRWUPVSA-N 466.405 2.329 30 10 JEEE C#CCN(c1nnc([C@@H]2COc3ccccc3O2)n1CC(C)(C)CCOC)[C@H]1CCS(=O)(=O)C1 1760186945 SCTYRMRWQSQLKX-RXVVDRJESA-N 488.610 2.480 30 10 JEEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccccc1C1OCCO1 1760211062 AFHVGRMLTGBWDJ-VWLOTQADSA-N 450.539 2.487 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ncn(-c2ccccc2)n1 1760212258 SARXHWKFBGJVLO-RUZDIDTESA-N 459.554 2.411 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(CC)cc3)n2CCNC(=O)c2ccco2)CC1 1760267469 NBVWPCBBSFGWDV-UHFFFAOYSA-N 474.565 2.496 30 10 JEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ncnc3sccc23)CC1 1760272564 ONECOQKTSRFXKJ-UHFFFAOYSA-N 470.628 2.114 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC[C@H](NC(=O)CC)C2)nnc1[C@@]1(OCC)CCOC1 1760328182 RUTOTEWEYZIDIW-RLIDHQHUSA-N 461.607 2.406 30 10 JEEE C=C(Cl)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1760368716 KNZWMRHEIHSJIN-UHFFFAOYSA-N 454.940 2.371 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cc(C)cc(OC)c2)CC1 1760389965 XVQLTSDNAMSKAS-FQEVSTJZSA-N 461.588 2.133 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1760412056 HMNPBRCDQAHEOD-ZWKOTPCHSA-N 451.637 2.476 30 10 JEEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1760431559 URHUFHAXBAIELT-GOSISDBHSA-N 452.563 2.474 30 10 JEEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1760526625 DIDNGXNOTOUBQF-QGZVFWFLSA-N 453.465 2.142 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@@H](C(=O)OC)C2)cc1 1760529357 DJBJPWDCJXAZOF-RTBURBONSA-N 474.583 2.183 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@]2(CCOC2)C1 1760551095 TVBMCCGXIXBIMC-SFHVURJKSA-N 470.393 2.253 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@](F)(C#N)C1 1760557959 BOEBNAFGVGEEFF-HRAATJIYSA-N 482.582 2.393 30 10 JEEE CCC[C@](C)(O)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1763748752 DNCYYYHIIGNLRN-DEOSSOPVSA-N 469.565 2.289 30 10 JEEE CCCCN(C)C(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cnnn2C)CC1 1765705435 DQRGQMWFBXUZAS-UHFFFAOYSA-N 491.600 2.380 30 10 JEEE CCCn1nc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@](C)(O)CCC)c2ccccc2c1=O 1766172020 HCILYQIPCIIZFS-BXKMTCNYSA-N 465.558 2.345 30 10 JEEE COCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1862742131 HVCBGZFCDZHYCB-LJQANCHMSA-N 485.405 2.499 30 10 JEEE N#C[C@@H](c1cccs1)N1CCC(C(=O)N[C@H](CO)C(=O)Nc2cc(Cl)ccc2O)CC1 1866868015 RNLWAWDOZGCFNA-SJORKVTESA-N 462.959 2.500 30 10 JEEE Cc1ccc(C)c(S(=O)(=O)Nc2c(C#N)nnn2-c2ccc(N3CCN(C)CC3)cc2)c1 1870098682 QNXZPXJEZMFRKF-UHFFFAOYSA-N 451.556 2.308 30 10 JEEE COCCCN1C(=O)c2ccc(C(=O)Nc3c(C#N)nnn3Cc3cccc(C)c3)cc2C1=O 1870106935 KGYJLJCCTULBPP-UHFFFAOYSA-N 458.478 2.391 30 10 JEEE C=CCn1cc(OCC(=O)Nc2cc(C)ccc2OC)c(=O)cc1CN(CCOC)CCOC 1870424379 HOVNQYBBLUWSMI-UHFFFAOYSA-N 473.570 2.464 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)COc2nonc2CC(=O)Nc2ccccc2)nc1C 1872664305 ARINGSJHADNTOQ-UHFFFAOYSA-N 457.468 2.376 30 10 JEEE CN1CCN(S(=O)(=O)c2ccc(OCC(=O)Nc3sc4c(c3C#N)CCC4)cc2)CC1 1872720026 KPGJARZVDQKKKF-UHFFFAOYSA-N 460.581 2.062 30 10 JEEE C[C@H](C(=O)O)N1C(=O)c2ccc(C(=O)NC3CCN(Cc4ccc(C#N)cc4)CC3)cc2C1=O 1873724691 UYGJTIZAFOXEQU-OAHLLOKOSA-N 460.490 2.022 30 10 JEEE COC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1cc(OC)ccc1OC 1874338655 ZSCNLYRBPNZVPH-GTQIFZCBSA-N 461.544 2.167 30 10 JEEE CC(C)(C)C(=O)CN(N=CN(C=O)CC(=O)c1ccccc1)S(=O)(=O)C1(O)CCCCC1 2059862021 QDZGQPVOBQXQDW-UHFFFAOYSA-N 465.572 2.171 30 10 JEEE CC(C)(C)OC(=O)NC1(CNS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)CC1 2247951337 INFVKMUFVQROQN-UHFFFAOYSA-N 458.411 2.383 30 10 JEEE CC1(C)OB(c2cc(C(=O)N3CCC[C@@H](NC(=O)OCc4ccccc4)C3)[nH]n2)OC1(C)C 2253173127 XCLSZAFUWXVYMK-QGZVFWFLSA-N 454.336 2.240 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2COC[C@@H]2NC(=O)OC(C)(C)C)s1 2255599033 URGOWAZXEJMTFS-GJZGRUSLSA-N 452.382 2.378 30 10 JEEE C[C@@H](CNC(=O)OC(C)(C)C)NS(=O)(=O)Cc1ccccc1B1OC(C)(C)C(C)(C)O1 2255793686 ALRKIRNDDBMFFL-HNNXBMFYSA-N 454.398 2.318 30 10 JEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2255811435 RLYVZNCOVYVSRM-JKSUJKDBSA-N 452.382 2.411 30 10 JEEE CC(C)(C)OC(=O)NCCOCCCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2255834748 JAHQMJGMGYYZIR-UHFFFAOYSA-N 455.386 2.104 30 10 JEEE Cc1cc(C(=O)N[C@@H]2COC[C@H]2NC(=O)OC(C)(C)C)sc1B1OC(C)(C)C(C)(C)O1 2255863487 WVACZFJJSNGNRO-ZIAGYGMSSA-N 452.382 2.378 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H]1CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2255950326 LIPKHJWOPNOBOQ-KGLIPLIRSA-N 472.438 2.486 30 10 JEEE CC(C)(C)OC(=O)NCC[C@@H]1CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)CCO1 2267282261 AOERGCOOCGNSRF-OAHLLOKOSA-N 450.341 2.335 30 10 JEEE CC(C)(C)OC(=O)N1CC2(C1)CN(S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1)C2 2267471836 KLHRTEYOJOAULX-UHFFFAOYSA-N 484.449 2.430 30 10 JEEE CC(C)(C)OC(=O)N[C@]1(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)CCCC12CC2 2268716104 SROLUISTHXOHBP-NRFANRHFSA-N 464.397 2.425 30 10 JEEE CC(C)(C)OC(=O)N1CCC(C)(C)[C@@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2268725287 UNKPFULNBMTJMH-CYBMUJFWSA-N 466.413 2.481 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2cc(F)ccc2B2OC(C)(C)C(C)(C)O2)C1 2281761220 CPZZJUJMIQTBJU-RDTXWAMCSA-N 464.343 2.083 30 10 JEEE Cc1c(C(=O)N2C[C@@H]3CC[C@]3(NC(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281806497 KFYNQTAODBOYQG-WNSKOXEYSA-N 460.384 2.157 30 10 JEEE CCCN(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)c(C)nn1C)C1CN(C(=O)OC(C)(C)C)C1 2281983432 UEGWUXYERVLWJA-UHFFFAOYSA-N 462.400 2.499 30 10 JEEE Cc1c(C(=O)N2CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281990799 RKUVIGVJKBBKEX-HOCLYGCPSA-N 462.400 2.403 30 10 JEEE CO[C@@H]1CN(C(=O)c2ccc(F)c(B3OC(C)(C)C(C)(C)O3)c2)C[C@H]1NC(=O)OC(C)(C)C 2282475410 OQNYXMHZVLUJPZ-QZTJIDSGSA-N 464.343 2.489 30 10 JEEE CC1(C)OB(c2scnc2CS(=O)(=O)N2C[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)OC1(C)C 2282507589 JOQBVKJTGSQSIB-KDURUIRLSA-N 489.472 2.336 30 10 JEEE CC(C)(C)OC(=O)N[C@@](C)(CO)CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn1C1CC1 2282525438 QIHXQPRRBVWHDW-HSZRJFAPSA-N 463.384 2.128 30 10 JEEE Cn1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@@H](NC(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)n1 2282578631 UOUFWNSMZNIIQZ-PHZGNYQRSA-N 460.384 2.380 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(B3OC(C)(C)C(C)(C)O3)sn1)CCO2 2282608708 YIAHTEMBBBBRNC-JOCHJYFZSA-N 479.408 2.294 30 10 JEEE CC1(C)OB(c2cnc(C(=O)N[C@H]3CN(Cc4ccccc4)C[C@H]3C(F)F)nc2)OC1(C)C 2282615567 PTTJAUFJEVJHCR-MSOLQXFVSA-N 458.318 2.271 30 10 JEEE Cn1nc(C(=O)N2[C@H]3CC[C@H]2[C@H](CNC(=O)OC(C)(C)C)C3)cc1B1OC(C)(C)C(C)(C)O1 2282620733 JCGZYPVPRGNFMB-ZOBUZTSGSA-N 460.384 2.237 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2CN(C(=O)[C@H]3C[C@@H](B4OC(C)(C)C(C)(C)O4)C3)CCN2C1=O 2282646615 QFABEZCIYCAQSX-VVLHAWIVSA-N 463.384 2.195 30 10 JEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H]1CCCN(Cc2ccccc2)CC1 2282848481 NXQKTLADEKOUOZ-LJQANCHMSA-N 474.436 2.052 30 10 JEEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1CCNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2283059307 HNABAVUBWQAJEI-CVEARBPZSA-N 460.384 2.399 30 10 JEEE CC(C)(C)OC(=O)N[C@H](C(=O)NCCc1ccccc1B1OC(C)(C)C(C)(C)O1)C1COC1 2284034712 DTZXBNHGWOKHNH-IBGZPJMESA-N 460.380 2.184 30 10 JEEE CN(Cc1ccccc1)C[C@H](NC(=O)c1ccc(F)cc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284423350 QIQNWDWNUHONPH-FQEVSTJZSA-N 456.323 2.440 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2285189748 KGEYYWMDXQCNSQ-AEFFLSMTSA-N 464.343 2.111 30 10 JEEE CCCOc1ccc(C=NNc2cnn([C@@H]3CCS(=O)(=O)C3)c(=O)c2Cl)cc1OC 2322614644 KGQNFARRESVWKF-CQSZACIVSA-N 454.936 2.500 30 10 JEEE NC(=O)CSc1nnc([C@@H]2CC(=O)N(Cc3ccccc3)C2)n1N=Cc1ccc2c(c1)OCCO2 2325917672 UPWXXAYMCSOHHI-GOSISDBHSA-N 492.561 2.025 30 10 JEEE COC(=O)c1ccc(C=Nn2c(CNC(C)=O)nnc2SCc2ccc(C(=O)OC)o2)cc1 2330752393 FTPGYIDLERDTEU-UHFFFAOYSA-N 471.495 2.255 30 10 JEEE CN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn1C)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1F 2343638305 BAKTWBJRDDARND-NVXWUHKLSA-N 451.348 2.354 30 10 JEEE CC(C)(C)OC(=O)N1CC(OCCCNC(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)C1 2362209519 WNWROZDYJRCCGU-UHFFFAOYSA-N 461.368 2.137 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@]2(CCN(C(=O)c3cnsc3B3OC(C)(C)C(C)(C)O3)C2)C1 2362570017 SRXKKOSZVMCVHP-JOCHJYFZSA-N 479.408 2.294 30 10 JEEE C=CCn1cc[n+](-c2nc3ccccc3nc2NS(=O)(=O)c2ccc3c(c2)OCCO3)c1 2650266 RGUWJUHAQCJCEX-UHFFFAOYSA-N 450.500 2.466 30 10 JEEE Nn1c(N/N=C/c2cccnc2)nnc1SCC(=O)Nc1ccc(OC(F)(F)F)cc1 20292644 PJAMBCYXLLGQAY-NUGSKGIGSA-N 452.422 2.462 30 10 JEEE COc1cc(/C=N/Nc2nnc(SCC(=O)Nc3ccccc3C)n2N)cc([N+](=O)[O-])c1O 21326728 VSLODQZPSYZMLH-ZVBGSRNCSA-N 472.487 2.100 30 10 JEEE CCOc1ccc(N2CCN(CC(=O)N[C@H]3CC[C@H](Oc4nccnc4C#N)CC3)C2=O)cc1 238822993 DBYPGZDILPIXBR-IRJFHVNHSA-N 464.526 2.495 30 10 JEEE CC(=O)N1CCN(CCOc2ccc(CCNS(=O)(=O)c3ccc(Cl)c(C#N)c3)cc2)CC1 551395031 OSFKLMGHLJWHSG-UHFFFAOYSA-N 491.013 2.276 30 10 JEEE COc1ccc(N2NOC(=O)/C2=C\C(=NC(=O)c2ccccc2)C(=O)N2C[C@H](C)O[C@H](C)C2)cc1 585673602 JXQFMGVDTMHNDC-ASOHKXTISA-N 478.505 2.279 30 10 JEEE COc1cccc(/C=C/C(=O)[C@@H]2CNCC[C@H]2NC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)c1 585830825 GQCZNELOYRHJGF-UGFLUKJYSA-N 461.518 2.057 30 10 JEEE CCc1ccc(C=c2sc(=C(C#N)C(=O)NCCCOC)n(Cc3ccccc3)c2=O)s1 609416668 PWJOOBUDBIRDDE-UHFFFAOYSA-N 467.616 2.238 30 10 JEEE Cc1nn(C)c(C)c1CCC(=O)[C@H](C#N)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 916948035 CIUNWLOOJLSZMF-NRFANRHFSA-N 471.583 2.492 30 10 JEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H]1CCO[C@@H](c2cnn(C)c2)C1 1141473150 BCRUSQQMJFCTNG-NZSAHSFTSA-N 459.572 2.054 30 10 JEEE CC(=O)c1cccc(S(=O)(=O)NCC(=O)N[C@@H](C#N)c2cccc(Br)c2)c1 1151050083 KJOYBHCPGQNWIB-KRWDZBQOSA-N 450.314 2.311 30 10 JEEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCS(=O)(=O)C[C@@H]1c1cnn(C)c1 1177719014 XIGMWCIBPONBGW-QZTJIDSGSA-N 454.593 2.358 30 10 JEEE C=CCO[C@@H]1CCN(CC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2OCC)C1 1192500397 IJBUWMYYMDFNPY-GOSISDBHSA-N 451.589 2.475 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CC1(OC)CCCCC1)[C@H]1CCS(=O)(=O)C1 1286391175 GOJKFSUARUEVJM-FQEVSTJZSA-N 457.600 2.240 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1Cc1c(CC)noc1C)[C@H]1CCS(=O)(=O)C1 1286394920 YHHFNRVGHVCVHV-KRWDZBQOSA-N 459.597 2.464 30 10 JEEE C#CCN(c1nnc(COc2ccccc2OC)n1C[C@]1(O)CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1286397947 VNSTVINHKPEFJZ-YDIMBITNSA-N 488.610 2.044 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1cnc(C)s1 1286401839 RKJLQMTWYUGFKY-UHFFFAOYSA-N 454.581 2.081 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCCN(C)C(=O)OC(C)(C)C)CC1 1286473140 PIYGUPWKTUGFKC-RUZDIDTESA-N 490.649 2.331 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccc(OCC(C)C)c2)CC1 1286485229 GHCOQRMMCSXWQD-UHFFFAOYSA-N 480.613 2.465 30 10 JEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](O)(Cc2cccc(Cl)c2)C1 1286495611 AYYPZGZHSJOZDR-IIBYNOLFSA-N 498.074 2.092 30 10 JEEE C=C(C)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N(C)CCNS(C)(=O)=O 1286588981 OJLUPBPNMSGYHA-UHFFFAOYSA-N 458.382 2.278 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H]1COCCO1 1286769069 MFWBNCBQDDUPRZ-ROUUACIJSA-N 451.568 2.404 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(CC(C)C)CC1 1286788022 ONGJYGYUTAKUQQ-HXUWFJFHSA-N 489.665 2.473 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(NC(C)=O)nc2)C1 1286812697 NWBTWQIVEOVGQK-FQEVSTJZSA-N 450.547 2.323 30 10 JEEE C=CCSCCn1c(Cc2ccccn2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1286833504 GAIXGGBDOJUVMI-IBGZPJMESA-N 462.645 2.187 30 10 JEEE C#CCN(c1nnc(-c2ccccc2F)n1CCNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1300487531 KKMBQTPLJCGEBG-INIZCTEOSA-N 477.562 2.236 30 10 JEEE C#CCN1CCN(c2nnc(-c3nn(CCC)c(=O)c4ccccc34)n2CCCOC(F)F)CC1 1300697561 FFZHBNBOUPQPJA-UHFFFAOYSA-N 485.539 2.450 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2C[C@H]2COCCO2)CC1 1300711892 JODMUWKUDCVYFE-UTKZUKDTSA-N 487.988 2.453 30 10 JEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN([C@@H](C)c2nccs2)CC1 1300733420 VPICWDNTZJQUPS-KRWDZBQOSA-N 459.645 2.220 30 10 JEEE C#CCSCCn1c(Cc2ccccc2F)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1300765745 JSSLTQGBGVOOJP-WMZHIEFXSA-N 484.645 2.363 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(CNC(C)=O)CC1 1300875335 OVKIEEXFNKMEGF-CTNGQTDRSA-N 467.574 2.259 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(NC(=O)CCC)CC1 1301483633 RSULRDAPOWREDH-UHFFFAOYSA-N 478.395 2.223 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(Cn2cc(C)cn2)CC1 1301514224 GXFIUNDNWXTERA-UHFFFAOYSA-N 474.569 2.453 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1ccc(F)cc1F 1301568689 WPYRWPYVCSWCCT-UHFFFAOYSA-N 476.509 2.441 30 10 JEEE CC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2C[C@H](C)O[C@H](C)C2)C1 1301817054 AAQMVWZQJJHKIJ-YYDVJCTNSA-N 465.602 2.421 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCS(C)(=O)=O 1358888427 MSRMQWQIZONBQA-SJORKVTESA-N 453.609 2.285 30 10 JEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1nc(C(F)(F)F)cs1 1358919775 KCNYXJLHBJYZGL-LLVKDONJSA-N 450.512 2.413 30 10 JEEE C#CCN(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@]1(O)CCS(=O)(=O)C1 1358939353 VAXCIOGYZOMWLO-IIBYNOLFSA-N 466.991 2.307 30 10 JEEE C#CCN(c1nnc(CCOc2ccccc2)n1C[C@H]1OCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1358965884 DARRCLWQHNPVRM-PZJWPPBQSA-N 472.611 2.341 30 10 JEEE C#CCN(CCOC)c1nnc(Cc2ccccc2F)n1C[C@@H](N1CCOCC1)C(F)(F)F 1359025104 CYYLQKTZIOCLEP-LJQANCHMSA-N 469.483 2.357 30 10 JEEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@H]2CCOC2)CC1 1359083053 AZADEXXIMQVOLO-HOTGVXAUSA-N 459.410 2.342 30 10 JEEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCc2sccc2C1 1359133176 MRXQASBDVWFZEC-GOSISDBHSA-N 481.644 2.218 30 10 JEEE C=CCC(C)(C)Cn1c(CCCc2ccccc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1359191365 WTFDJDNILCPOLM-FQEVSTJZSA-N 450.587 2.203 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 1359295205 UCYRTZSDXOMBGF-QFBILLFUSA-N 465.558 2.468 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1359333741 IJFYQHSXEUCYKO-AXHZCLLHSA-N 490.626 2.251 30 10 JEEE C=C(Cl)C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(=O)OCC 1438403372 PXYKGYPPFADYSN-GOSISDBHSA-N 453.948 2.149 30 10 JEEE CC(C)(C)OC(=O)N1CCC(O)(CC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC1 1465696724 OUSGWPLUKMLQNU-INIZCTEOSA-N 452.552 2.110 30 10 JEEE C#CCN(C(=O)c1cc(S(=O)(=O)NC(C)C)c[nH]1)C1CCN(C(=O)OC(C)(C)C)CC1 1471882012 GBWMSUFNMGSURF-UHFFFAOYSA-N 452.577 2.176 30 10 JEEE CCNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)CN2CCCC2)CC1 1502443965 DCBQGEARYLRAIZ-LJQANCHMSA-N 450.591 2.400 30 10 JEEE COCCn1cc(Cn2c(-c3cc(F)ccc3Br)nnc2N2CCO[C@@H](C#N)C2)cn1 1504898031 DNTYOMPYKJDZNA-INIZCTEOSA-N 490.337 2.467 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1CCCc1nnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1507641068 YUZMHMOASLPVJP-HXUWFJFHSA-N 484.651 2.483 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(CNC(=O)c2cccs2)n1Cc1ncn(C)n1 1507703788 ZDKIMAHDTYZFQK-UHFFFAOYSA-N 464.530 2.225 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CC=CCC2)n1 1507717298 UDYRASJSMVJGSE-PMACEKPBSA-N 472.615 2.019 30 10 JEEE C#CCN1CCN(c2nnc(CC(C)C)n2C[C@@H]2C[C@H]3COC[C@@H]3N2C(=O)OC(C)(C)C)CC1 1507730168 NQAZFKHLRLNVFG-ACRUOGEOSA-N 472.634 2.256 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(N2CCOCC2)CCCCC1 1507811484 AOEMHZZZNWVRCK-IBGZPJMESA-N 468.668 2.326 30 10 JEEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1507915732 YBFUFCAFULXUSO-NWZZKEMCSA-N 455.625 2.263 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1cc(F)c(F)c(F)c1 1508125118 DFGHGODVBRWQQQ-UHFFFAOYSA-N 471.505 2.169 30 10 JEEE CC(C)N(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2cnn(C)c2)CC1 1509524038 GWRVFOBYPHWTFV-UHFFFAOYSA-N 463.590 2.129 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCC[C@H]1C 1519149669 BAOXOJNRJNLINB-DENIHFKCSA-N 486.642 2.189 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CCc1ccccn1)[C@@H]1CCS(=O)(=O)C1 1539218827 DXMLFYOSNCYVNC-GOSISDBHSA-N 471.533 2.412 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2ncnn2C(C)(C)C)CC1 1539463264 XPJGTUNXCLCZNR-KDURUIRLSA-N 497.648 2.199 30 10 JEEE C=C(C)Cn1c(N2CC[C@@H](S(=O)(=O)NCC)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1539733916 UHJCUMONCCRSNE-IXDOHACOSA-N 468.624 2.143 30 10 JEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccc(CN3CCO[C@H](C)C3)c2)CC1 1539828381 JLNKJYYYAJVQMF-WOJBJXKFSA-N 488.658 2.314 30 10 JEEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1539947293 KAIKMTIUAMOBLE-GOSISDBHSA-N 453.547 2.109 30 10 JEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1539967391 QMJUEGBEOLOTNK-PMPSAXMXSA-N 481.541 2.123 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@@]2(CCOC2)C1 1540863615 ZJXUULZLKSRUQU-ZHRRBRCNSA-N 461.950 2.369 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCN(C)CC(F)(F)F)C1 1540889399 KYXSFCFOTPQOIF-MRXNPFEDSA-N 491.518 2.467 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(C)C1CCN(Cc2ccccc2)CC1 1540902005 XLBOJRNFOMWYBL-UHFFFAOYSA-N 483.642 2.380 30 10 JEEE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCN(C(C)=O)C2)C1 1540937936 HHMNMXWBXFPYRR-VXKWHMMOSA-N 463.586 2.380 30 10 JEEE CC(C)c1nnc([C@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCC(=O)N(C)C)CCO2)o1 1541319789 BEOIKWUCEMMVER-GOSISDBHSA-N 464.530 2.379 30 10 JEEE C[C@]1(C(N)=O)CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCN(CC(F)(F)F)C2)C1 1541994791 COHLRVFUEHLQSS-IERDGZPVSA-N 461.492 2.403 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1587633227 SKCASKZFMJVTJD-WXVFVKJXSA-N 497.600 2.377 30 10 JEEE C#CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1ccc(-n2cncn2)nc1 1588020245 JQWFOMUBBHCSCD-SFHVURJKSA-N 463.546 2.444 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCCN1CCCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1588053576 FWAAMTDOYFFMAK-NJDAHSKKSA-N 463.648 2.063 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCCC(=O)N(C)C 1588128788 SOKUGGCHUXCCIS-UHFFFAOYSA-N 459.554 2.006 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CC(=O)NCC(F)F)CC1 1588741321 ATOYXLMHGAUVNV-OAHLLOKOSA-N 466.920 2.208 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccccc2OC)nnc1N(C)CC(=O)N1CCOCC1 1589558966 NDODFMDBQWJLPE-HYBUGGRVSA-N 469.586 2.154 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H](C)[C@@H](O)c2cc(OC)ccc2OC)ccc1F 1595032572 XKMWWLWLHPZFFQ-ZUOKHONESA-N 452.504 2.159 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@](C)(O)C(C)C)C1 1595687656 BSJLANCGXGSGRI-WMZHIEFXSA-N 477.631 2.384 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(Cc3csc(C)n3)n2Cc2cccc(S(=O)(=O)NC)c2)C1 1595737715 HAIQKILUYZQKAA-LJQANCHMSA-N 488.639 2.372 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H](n2cncn2)C1 1595821468 BVNXGUBRBZZHTD-GOSISDBHSA-N 475.550 2.030 30 10 JEEE C#CCN(CC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)[C@H]1CCc2ccccc21 1615264961 JHMZCWLMYVRFMW-QHCPKHFHSA-N 453.564 2.269 30 10 JEEE CN(Cc1ccccn1)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCS(=O)(=O)C1 1617950084 HVIBEVDGHICAHM-GOSISDBHSA-N 452.540 2.195 30 10 JEEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@H]2c2ccc(Br)cc2OC)C1=O 1629331990 DMUKIQDQSXRWPP-CQSZACIVSA-N 450.289 2.098 30 10 JEEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)[C@H]1CCCN(C(=O)OCc2ccccc2)C1 1655924456 LNOWQDXQIPAGFB-IBGZPJMESA-N 450.557 2.394 30 10 JEEE C=C(Cl)C[C@@H](NS(=O)(=O)c1cnc2c(c1)c(C)nn2C1CCOCC1)C(=O)OCC 1670887669 WIHJKLIFIZHAGJ-QGZVFWFLSA-N 456.952 2.444 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1c[nH]c2c(CC)cccc12 1689852450 FLAODFMOLJLKQM-LAUBAEHRSA-N 484.626 2.355 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H](C)N1CCOCC1 1690017717 KBMUMEIAGYLTAC-RTWAWAEBSA-N 470.618 2.186 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCNS(=O)(=O)CC 1690055331 RWBGXSLUPXLSPH-IBGZPJMESA-N 492.646 2.142 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2noc3c2COCC3)n1C[C@@H](COC)OC 1690090096 WGTIWUHIONOOCL-SFHVURJKSA-N 455.490 2.446 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCCCN2CCC[C@@H](C)C2)CC1 1690134973 NJINLAXTJNMFSY-VJBWXMMDSA-N 458.651 2.269 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2Cc2cccc(NC(=O)OC)c2)CC1 1690150385 FWVOKPQLMJKBEM-UHFFFAOYSA-N 487.564 2.456 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2CC2(N(C)C)CCOCC2)CC1 1690150603 NTENJCPSMAETFT-UHFFFAOYSA-N 456.635 2.087 30 10 JEEE C=C(C)COCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1690307417 ZYICBDFJNSQZOH-OAQYLSRUSA-N 450.543 2.237 30 10 JEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCN2CCc3sccc3C2)CC1 1690396693 JNBBUMCPKHSKQR-INIZCTEOSA-N 464.661 2.411 30 10 JEEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1690669060 SGWISQARUKXUDB-MRXNPFEDSA-N 456.572 2.132 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C(C)C)C1 1690682083 DAAPUQAVUPYMIM-XLIONFOSSA-N 463.604 2.363 30 10 JEEE C=CCOc1ccccc1Cn1c(Cc2ccccn2)nnc1N(C)CC(=O)N1CCOCC1 1690683698 RXRMIMYVMOWMIM-UHFFFAOYSA-N 462.554 2.172 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc(C)n(C)c2=O)C1 1690688119 ORVYBMSDCUSYSO-RDPSFJRHSA-N 457.575 2.155 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1690692124 RQOUNKPQQXMFGX-KFGJJWJMSA-N 459.510 2.124 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 1690722603 OZEBMKAZZFJAMH-HXUWFJFHSA-N 499.572 2.480 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1690725377 NYLXQENPTAWZOW-QFBILLFUSA-N 469.007 2.363 30 10 JEEE CC(C)NS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCSC(C)(C)C1 1692623378 DWADHLRRVMTSJB-UHFFFAOYSA-N 478.644 2.388 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1C[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1705561618 VDRQHBJFNVJZFR-KSZLIROESA-N 462.547 2.220 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CC[S@@](=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1705570393 MVNZMNQVHWRCJL-QPHCHLROSA-N 480.631 2.182 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC2(O)CCCC2)CC1 1705643822 BATVFYYQJOLESD-UHFFFAOYSA-N 499.015 2.132 30 10 JEEE C=C(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 1705720448 YICZUIKSTQUUJG-UHFFFAOYSA-N 484.630 2.164 30 10 JEEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1705731350 UMIMBRZXYYMHOP-UHFFFAOYSA-N 473.541 2.111 30 10 JEEE C=CCCOCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1705826602 XLOJLDXYNYHIBG-UHFFFAOYSA-N 489.020 2.172 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c([C@@H]2CCOC2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O)C(C)C 1705869402 UEIQBYRYAREKAU-UXHICEINSA-N 485.633 2.001 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](c2nc3ccccc3o2)C1 1705894956 PDVLVNBOXAWBDT-INIZCTEOSA-N 451.531 2.244 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1705902456 FJSQQDQTQOQUJY-RBUKOAKNSA-N 498.632 2.422 30 10 JEEE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3cccc(C#N)c3)n2CCN2CCN(C)C(C)(C)C2)C1 1705959574 ARHWKQLURPZHOX-QFIPXVFZSA-N 478.645 2.147 30 10 JEEE C[C@H](C#N)CN(C)c1nnc(CNC(=O)c2cccs2)n1CCCN1CCCO[C@@H](C)C1 1706076848 DGGFBVFNOJEUOO-MSOLQXFVSA-N 459.620 2.366 30 10 JEEE C[C@H]1CN(CCCn2c(CN3CCCC3=O)nnc2N(C)Cc2ccc(C#N)cc2)C[C@H](C)O1 1708248826 HUBRPRFKEZXQNT-PMACEKPBSA-N 465.602 2.408 30 10 JEEE N#Cc1ccc(OCc2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2C[C@@H]2CCCCS2(=O)=O)cc1 1712880391 HMPQOPOFRZJYHL-ZWKOTPCHSA-N 499.515 2.464 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1722276202 GEQTWJCEQUDEPM-HUUCEWRRSA-N 496.431 2.456 30 10 JEEE C#CCCCn1c(COc2ccc(Br)cc2)nnc1N1CCN(C(=O)NC)CC1 1722338070 LEDPSDVHWNGVAE-UHFFFAOYSA-N 461.364 2.494 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)ccc2Br)n1CCCOC)[C@H]1CCS(=O)(=O)C1 1722358517 CDADATAOPXYARB-HNNXBMFYSA-N 497.415 2.379 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H]1CN(Cc2ccccc2)CCO1 1722394812 HAAQYFHFQYCXLI-SHQCIBLASA-N 477.609 2.294 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2Cc2cccn(CC)c2=O)CC1 1722450927 SZICMDYKSTWWMN-UHFFFAOYSA-N 492.555 2.192 30 10 JEEE C=C1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC(=O)NCC(F)F)CC1 1722566456 RTBSWRLOCOBUTB-HNNXBMFYSA-N 470.521 2.124 30 10 JEEE C=CCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1722581306 SFNWMTUGEFCOFQ-TZIWHRDSSA-N 473.666 2.398 30 10 JEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1722608731 LFOVBOYRDYZPIR-INIZCTEOSA-N 463.564 2.089 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N1CCC(OCCOC)CC1 1722695209 WZOIPMRMLHOPIH-UHFFFAOYSA-N 450.543 2.427 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC2(C(=O)N(C)C)CCCC2)C1 1722711154 SEPGARDIOUPGTC-NTKDMRAZSA-N 461.607 2.360 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Br)c2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1722724483 XTGJISFCGMAZCU-DOTOQJQBSA-N 494.415 2.023 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1722725556 NGLOATLBOGWREF-QGZVFWFLSA-N 457.560 2.091 30 10 JEEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1722732359 KQEQZLCBAJYHGG-QGZVFWFLSA-N 484.692 2.036 30 10 JEEE CC(C)C[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2C#N)CC1)N(C)C 1723254519 CHTXOFBYUHGMIF-NHCUHLMSSA-N 464.618 2.404 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC(C)(C)COC)[C@H]1CCS(=O)(=O)C1 1740620323 VMIFJQVZIWLQOQ-SFHVURJKSA-N 461.544 2.153 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2Cc2cnn(CC)c2)CC1 1740700770 HEVAYBLYDPEMJQ-UHFFFAOYSA-N 488.596 2.378 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCc2cnn(C)c2)CC1 1740704874 ZRJCJCBVMUKZTH-UHFFFAOYSA-N 456.554 2.149 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCCc3ccccc3)n2CCN2CCOC[C@H]2C)CC1 1740708180 FSWOKGVFCWLJKZ-JOCHJYFZSA-N 478.641 2.140 30 10 JEEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)NCCCC)CC1 1740745620 ZNCGNAYGAGIBAP-INIZCTEOSA-N 488.452 2.222 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(CC(=O)N(C)C)CC1 1740754915 HNCOMMMKNVDXIH-DVECYGJZSA-N 498.628 2.154 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1740952289 YULVKMSIHJIDGX-MOPGFXCFSA-N 472.565 2.018 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCS(C)(=O)=O)C1 1740975494 VQCHQDYDLCFVIC-AWEZNQCLSA-N 458.382 2.252 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1740990078 HXBWMSXTRVINQM-MJGOQNOKSA-N 487.582 2.441 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1740993066 YAWXQODPLQBIHL-RBUKOAKNSA-N 451.637 2.084 30 10 JEEE C#CCCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(Cc2nc(COC)no2)CC1 1748753359 GDQNOSIFAMDOSD-UHFFFAOYSA-N 453.522 2.273 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H]1CCCN(C(C)C)C1)[C@H]1CCS(=O)(=O)C1 1748812646 YPHDMEHKQHZGBO-PMACEKPBSA-N 456.616 2.087 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(Br)cn2C)n1CC(=O)NCC(F)(F)F 1748869017 QKNRIRTVJKXPRI-UHFFFAOYSA-N 471.281 2.188 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cc(C)on1 1748892129 JCSNPEAIAFJWOF-LJQANCHMSA-N 454.531 2.394 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCOCC1(C)C 1748929914 SJRPCBRVRFNFFP-IBGZPJMESA-N 476.622 2.157 30 10 JEEE C#CCN(CC)c1nnc(COc2ccc(Cl)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1748937898 UJIYTSJEYRXCER-INIZCTEOSA-N 451.980 2.252 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2Cc2csc(COC)n2)CC1 1748993473 YXPJNDUSUFYIKT-UHFFFAOYSA-N 452.584 2.284 30 10 JEEE C=C(Br)Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1749108969 ABQIFITZIJAGSW-LPHOPBHVSA-N 451.369 2.433 30 10 JEEE C=C(C)COCCn1c(-c2cccc(OC)c2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1749216137 KHIIYFNFPKMNHZ-XMMPIXPASA-N 468.558 2.361 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCN2CCCC[C@H]2CC)CC1 1749303690 NIOKZWXGZCTSFM-UXHICEINSA-N 466.652 2.032 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](c2ccccc2C)C1 1749650700 FPCHOQXWLBGHAN-LJQANCHMSA-N 461.526 2.114 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@]2(N(C)C)CCC[C@H](C)C2)C1 1749696952 FXGSQMLEDMAMGW-PSHVLCQKSA-N 468.668 2.180 30 10 JEEE CC(C)C[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2C#N)CC1)N(C)C 1750696659 DYJZNXOSTSYHKI-FCHUYYIVSA-N 499.685 2.355 30 10 JEEE Cc1cc(C)cc(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C#N)CC2)c1 1751395062 AOJLIARGMRKKSB-NRFANRHFSA-N 472.615 2.211 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CCN1CCCS1(=O)=O 1760104740 FFSMFUJQYMJJDR-QGZVFWFLSA-N 461.588 2.234 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1ccnc(SCC)c1)[C@H]1CCS(=O)(=O)C1 1760190155 OMMQHPRFYRPSFW-FQEVSTJZSA-N 482.635 2.446 30 10 JEEE C#CCN(c1nnc(COc2ccccc2CC)n1C[C@@H]1CC=CCO1)[C@H]1CCS(=O)(=O)C1 1760192124 RBBOFZAJOQNQJW-SFTDATJTSA-N 470.595 2.391 30 10 JEEE C#CCN(CC)c1nnc(-c2cc(Br)c[nH]2)n1CCc1ccc(S(N)(=O)=O)cc1 1760226145 LZUAKRYNZDBORR-UHFFFAOYSA-N 477.388 2.385 30 10 JEEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCc1ccc(O)cc1 1760249393 KOXHNYAWLABHMY-UHFFFAOYSA-N 461.570 2.486 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CC(C)(C)NC(=O)OC(C)(C)C)CC1 1760269992 RFRHQQPZLUEHES-LJQANCHMSA-N 488.633 2.441 30 10 JEEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1760359173 HMHSXVDEDVDWQS-QPPBQGQZSA-N 481.645 2.236 30 10 JEEE C=C1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2ccccc2S(=O)(=O)N(C)C)CC1 1760383067 GOBALYYSDXQPCR-GOSISDBHSA-N 463.604 2.457 30 10 JEEE COC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCOC[C@@H]2C)CC1 1769499301 ADTJRZDTSZXXON-HKUYNNGSSA-N 454.531 2.290 30 10 JEEE CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1ccc(O)c([N+](=O)[O-])c1 1862632961 CANGGRBYASGZMI-LJQANCHMSA-N 455.423 2.169 30 10 JEEE COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CCCNC=O)cc(Cl)c1O 1862634915 WYNWZRXBPKHUGV-LJQANCHMSA-N 488.880 2.497 30 10 JEEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(O)c(O)c2)c1 1862700287 CUJUZFSAJGDVJH-OAQYLSRUSA-N 454.479 2.017 30 10 JEEE C=CCN(CC=C)C(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1ccc(Cl)cc1Cl 1865728768 IOQHJWVVHOXLOL-HNNXBMFYSA-N 477.348 2.286 30 10 JEEE N#Cc1nnn(-c2ccc3nc[nH]c3c2)c1NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccccn1)C2=O 1870142019 WLSQDSKTDDPBAQ-UHFFFAOYSA-N 489.455 2.459 30 10 JEEE C=CCN=c1nc(N2CCN(c3ccccn3)CC2)[nH]c(=Nc2ccc(CC)c([N+](=O)[O-])c2)[nH]1 1871619633 RCICENNYRZHZSR-UHFFFAOYSA-N 461.530 2.249 30 10 JEEE C=C(C)CN([C@H](CCSC)C(=O)Nc1ccc(N2CCN(C)CC2)cc1)S(C)(=O)=O 1872275505 NZOQLNSJZPBHFH-HXUWFJFHSA-N 454.662 2.336 30 10 JEEE COC(=O)CSc1nnc(C2CC2)n1/N=C/c1ccc(OCCN2CCOCC2)c(OC)c1 1874521264 KDEDOWKZWCTIGU-OEAKJJBVSA-N 475.571 2.022 30 10 JEEE CC(C)(C)OC(=O)N[C@]1(C(=O)N[C@@H](C(=O)O)C(C)(C)S)CCN(Cc2ccccc2)C1 2019058039 KXZAWRZTAOHDSZ-KSFYIVLOSA-N 451.589 2.434 30 10 JEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CC(=O)NC2CC(B3OC(C)(C)C(C)(C)O3)C2)C1 2124542153 AILRRYNHTDOOSX-GPANFISMSA-N 472.413 2.152 30 10 JEEE CC1=C(B2OC(C)(C)C(C)(C)O2)CN(C(=O)[C@H](F)C2(O)CN(C(=O)OC(C)(C)C)C2)CC1 2137179998 VTEUEHURKNYIQP-INIZCTEOSA-N 454.348 2.487 30 10 JEEE C#CCC[C@H](NC(=O)c1cc(I)cc(I)c1O)C(=O)O 2159142623 XRTIFTWOJLSZAD-JTQLQIEISA-N 499.042 2.198 30 10 JEEE C=C(Br)CS(=O)(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1C(=O)OCC 2174717210 WGVUAKOMJKQAMB-KGLIPLIRSA-N 469.398 2.393 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1ccc(C#N)c(Br)c1)C1CS(=O)(=O)C1 2197527155 ZOAJSUBWMGZMKS-CQSZACIVSA-N 458.334 2.197 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCCNC(=O)OCc1ccccc1 2247876880 XTYIIVNJJDLLRQ-UHFFFAOYSA-N 474.388 2.499 30 10 JEEE CC1(C)OB(c2cccc(CS(=O)(=O)NCCNC(=O)OCc3ccccc3)c2)OC1(C)C 2247903845 JROMRPGVWPGVHU-UHFFFAOYSA-N 474.388 2.332 30 10 JEEE C=C(CS(=O)(=O)N=[S@](C)(=O)C1CN(C(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2247905771 VKPVUPOCKHVWFH-GDLZYMKVSA-N 464.415 2.221 30 10 JEEE C=C(CS(=O)(=O)NC[C@H]1CO[C@@H](CNC(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2255795194 TWWXEJYIEWGRJM-JKSUJKDBSA-N 460.402 2.023 30 10 JEEE CC1(C)OB(c2cncc(S(=O)(=O)N[C@H]3C[C@@H](NC(=O)OCc4ccccc4)C3)c2)OC1(C)C 2255931940 SXISFNWUCMWTTI-KDURUIRLSA-N 487.387 2.117 30 10 JEEE Cc1nc(NC(=O)[C@H]2CSCN2C(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2256600259 IAAMCEYFCVGPAA-CQSZACIVSA-N 450.370 2.333 30 10 JEEE Cc1cc(S(=O)(=O)N[C@@H]2CON(C(=O)OC(C)(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2267351807 FBFWHOIICNOFPC-HNNXBMFYSA-N 468.381 2.123 30 10 JEEE COC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1ccoc1B1OC(C)(C)C(C)(C)O1 2267550570 BICBWDKBKXARDT-HNNXBMFYSA-N 450.341 2.287 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H]1NS(=O)(=O)c1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2267702517 HYDVJHQEMHBATH-CJNGLKHVSA-N 470.372 2.316 30 10 JEEE C[C@H](CNC(=O)OC(C)(C)C)CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(O)cc1O 2267759891 OSTKJCLJFVIJBJ-ZDUSSCGKSA-N 450.341 2.288 30 10 JEEE COC[C@H](ONC(=O)OC(C)(C)C)C(=O)NCc1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2268643846 ZTJTZCASYOSPGC-HNNXBMFYSA-N 470.397 2.443 30 10 JEEE COC(=O)C1(NC(=O)c2scc(B3OC(C)(C)C(C)(C)O3)c2C)CN(C(=O)OC(C)(C)C)C1 2281937249 XMVQFELTKDVTDZ-UHFFFAOYSA-N 480.392 2.248 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1C[C@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2 2281972111 LFWUEZMLWNBURY-BHYGNILZSA-N 460.384 2.330 30 10 JEEE Cn1cc(C(=O)N2C[C@H](NC(=O)OC(C)(C)C)CC(F)(F)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2281972601 MTEIPQMDYGJMAH-CYBMUJFWSA-N 470.326 2.094 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCO[C@H]2[C@H]1NC(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2282175035 IUUOZLZQZLNBAI-ZSYWTGECSA-N 458.364 2.396 30 10 JEEE CC(C)(C)OC(=O)NCC1(F)CC(CNC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2282626683 DDKYPUHOZDNERA-UHFFFAOYSA-N 464.347 2.149 30 10 JEEE CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1ncc(C)cc1B1OC(C)(C)C(C)(C)O1 2282646126 XIEJQZSTSRLBOE-IRXDYDNUSA-N 461.368 2.053 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cn2C)CCO1 2282683528 FDDQKYZUHQGBJB-YJBOKZPZSA-N 463.384 2.079 30 10 JEEE C[C@H]1C[C@@H](NS(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CCN1Cc1ccccc1 2282853951 LMEPMFYDZHZRGJ-HKUYNNGSSA-N 474.436 2.051 30 10 JEEE COc1ccc(S(=O)(=O)NCC2CN(C(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2282881978 FOMVEALBFWXNAC-UHFFFAOYSA-N 482.408 2.140 30 10 JEEE CC(C)(C)OC(=O)N1CCC(F)(CNC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CC1 2283072136 MPQNYLWEZAVTRO-UHFFFAOYSA-N 464.347 2.245 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H](C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1)[C@@H]1CCOC1 2284036487 BONLUOLHQASFNF-GDBMZVCRSA-N 481.424 2.236 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)NCCc1c(F)cccc1B1OC(C)(C)C(C)(C)O1 2289656878 QEYRHKJHVVKKSQ-HNNXBMFYSA-N 466.359 2.059 30 10 JEEE CCCNC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)(C)C)C2)n1N=Cc1ccc(O)cc1O 2327841433 HGXXHITYWHPZPF-OAHLLOKOSA-N 474.587 2.304 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2C[C@H]1C[C@@H]2NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2359318854 BFVLIUKQFZEVAL-VGWMRTNUSA-N 458.368 2.197 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CS(C)(=O)=O)C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)c1F 2360641466 WANWFRDCZIZPLK-OAHLLOKOSA-N 486.371 2.001 30 10 JEEE Cc1cc(CNC(=O)[C@H](CN(C)C)NC(=O)OC(C)(C)C)cc(B2OC(C)(C)C(C)(C)O2)c1 2369678664 IEXUJMOELSGTRY-IBGZPJMESA-N 461.412 2.365 30 10 JEEE Cc1ccc(/C=N/Nc2nnc(SCC(=O)N3CCCN(Cc4nnc(C)o4)CC3)[nH]2)cc1 20908203 POZWBKVFUZXROM-WSDLNYQXSA-N 469.575 2.077 30 10 JEEE C=CCn1c(Cn2nnc3ccccc32)nnc1SCC(=O)NCc1nnc(C(C)C)o1 59877709 RNTWZXRFWWMSQY-UHFFFAOYSA-N 453.532 2.172 30 10 JEEE COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccc(OC)c2OC)cc1 102432013 WBQZIPOYIAATRJ-VFJWVMJUSA-N 482.533 2.466 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)N3CCC(C(=O)NCC(C)(C)CN(C)C)CC3)cc2C1=O 518052919 ONFUWIQRLHTXDA-UHFFFAOYSA-N 454.571 2.025 30 10 JEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2c(CC)oc3ccccc23)c(=O)n1C[C@@H]1CCCO1 609421257 LMKLZSZZEGZKNO-INIZCTEOSA-N 463.559 2.203 30 10 JEEE C#Cc1cccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2[C@H]2CCN3CCC[C@H]3C2)c1 730443975 TUANIBLKYUATHO-FDFHNCONSA-N 467.639 2.294 30 10 JEEE N#C[C@H](C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1)C(=O)c1cnn(-c2ccccc2)n1 916948849 IEBZCIMPEJDLCL-FQEVSTJZSA-N 478.534 2.403 30 10 JEEE COc1ccc(O)c(C=NNc2nc(SCC(=O)NCc3ccc4c(c3)OCO4)n[nH]2)c1 1083923294 ADXXWUHKZCOIDV-UHFFFAOYSA-N 456.484 2.102 30 10 JEEE COc1ccc(CCNC(=O)CSc2nnc(NN=Cc3c(C)nn(C(C)C)c3C)n2N)cc1 1084138209 QHJJRHHMLIXRNI-UHFFFAOYSA-N 485.618 2.292 30 10 JEEE CCCN(CC(=O)Nc1ccccc1OC)C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 1141374512 GDRYFQJBNWTDIV-MRXNPFEDSA-N 458.540 2.111 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1CCS(=O)(=O)N1CCSCC1 1286276232 VZQVAUNRWWQCCO-OAHLLOKOSA-N 485.582 2.383 30 10 JEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1286340005 SCUVNEWMVCRLIA-LJQANCHMSA-N 467.599 2.336 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H](C)CNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1286386767 HELBSIRDYKHBQR-IAGOWNOFSA-N 476.603 2.061 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1CC1(SC)CC1)[C@@H]1CCS(=O)(=O)C1 1286388011 KELVHYPHAZSMKY-MRXNPFEDSA-N 476.624 2.485 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2CC2(C)CCOCC2)CC1 1286492618 NOVLTWVGDIBEPV-UHFFFAOYSA-N 484.626 2.052 30 10 JEEE C#CCSCCn1c(N2CCCN(C(=O)C3CC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1286511959 GLRSWCJFVKAVSW-QHCPKHFHSA-N 461.632 2.134 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(S(C)(=O)=O)CC1 1286558703 QOFLGBLIFUKBCC-IIBYNOLFSA-N 481.569 2.210 30 10 JEEE C=C(C)COCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(CC)[C@H](C)C1 1286606017 DLQADLUBKZXYAZ-GOSISDBHSA-N 461.636 2.361 30 10 JEEE C=CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCN1CCOC[C@@H]1C 1286722143 DVTMQROGXVBPFO-SFHVURJKSA-N 451.575 2.408 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2C[C@@H](C)[C@H](C(F)(F)F)C2)nnc1[C@@]1(OCC)CCOC1 1286825316 PCTGRCXRSZBFOV-IIDMSEBBSA-N 466.526 2.166 30 10 JEEE C=CCSCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1286834170 BYHJJDPMAGKRBH-ROUUACIJSA-N 476.672 2.346 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1CCCN(C(C)=O)C1 1300307378 FQZUKJSRUXJLIF-UYAOXDASSA-N 450.591 2.169 30 10 JEEE C#CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1300357658 UEHZGRAXVLHBJV-GOSISDBHSA-N 482.610 2.492 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cccs1)[C@H]1CCS(=O)(=O)C1 1300483652 MKYKUQCGLXPHTO-UWJYYQICSA-N 464.613 2.055 30 10 JEEE C#CCN(c1nnc(-c2ccccc2)n1CCCNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1300490005 XEKCZWNSCHOEFT-LJQANCHMSA-N 473.599 2.487 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(C[S@@](C)=O)cc1 1300554337 ADWLNOJPHQONQW-MGBGTMOVSA-N 460.563 2.315 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(N2CCC(OC)CC2)CCCC1 1300631144 MBXPOXXRJZHGRU-IBGZPJMESA-N 463.648 2.063 30 10 JEEE C#CCN(CC)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1300637569 GALJUXVFSBOZHZ-IFMALSPDSA-N 482.610 2.392 30 10 JEEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1300733244 ULGVZGWREIJLML-UHFFFAOYSA-N 470.647 2.296 30 10 JEEE C#CCSCCn1c([C@H](CC)c2ccccc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1300741383 VLSLZDQGVUOBGC-HSZRJFAPSA-N 496.681 2.167 30 10 JEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1CCCc2c1cnn2C 1301188209 HMJVOXLCPWOACB-ICSRJNTNSA-N 477.635 2.215 30 10 JEEE C=CCCOCCn1c([C@@H]2CCCCO2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1301253511 ZXPHFTUSDWADAL-HJNYFJLDSA-N 460.623 2.101 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)Cc1c(C)nn(C)c1C 1301478437 KQXQWGVJQPFDMY-UHFFFAOYSA-N 484.992 2.150 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](C)N2CCN(c3ccccc3)CC2)C1 1301536680 YWZLCIMMLSZEHY-FYYLOGMGSA-N 481.645 2.408 30 10 JEEE Cc1ccc([C@H](Cn2c([C@H]3CCC(=O)N3)nnc2N(C)[C@@H](C)CC#N)N2CCOCC2)cc1 1304270873 AOPJOUDAGYFFQJ-TYPHKJRUSA-N 451.575 2.350 30 10 JEEE Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CC2(CS(C)(=O)=O)CC2)cc1C 1304424591 GXWGZOPCRNOWGL-LJQANCHMSA-N 459.572 2.028 30 10 JEEE CCC(CC)c1cc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)on1 1305713672 BDDUVVVJMBXRNN-BFUOFWGJSA-N 453.544 2.270 30 10 JEEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@](C)(OC)C2CC2)C1 1314001180 FHQUBVXTGBFZRU-DENIHFKCSA-N 458.588 2.150 30 10 JEEE COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1nc2c(s1)CCCC2 1316101357 HMTLWLDQNGFUNA-INIZCTEOSA-N 478.644 2.125 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@H]1CCSC1)[C@H]1CCS(=O)(=O)C1 1358968035 XZTWLXAZZJRIMG-SJORKVTESA-N 464.588 2.376 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccnc1OC 1359017097 UELNOTPSNRFDNQ-IBGZPJMESA-N 469.542 2.411 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)ccc3C)n2CC2([S@](C)=O)CC2)CC1 1359047221 WUQWLEGUOWWVEH-UMSFTDKQSA-N 483.638 2.351 30 10 JEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CCc2cccs2)CC1 1359048195 IOHOGZXYDRXGTE-UHFFFAOYSA-N 458.657 2.307 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)c2ccc(F)cc2)CC1 1359132342 VBRASSMUVIFSRT-FQEVSTJZSA-N 470.549 2.360 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1359304952 OPRKDFKNCORWHE-OAQYLSRUSA-N 460.991 2.242 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cn(CCCC)nc2C)C1 1359321580 IQDHCBXMGJXIRF-QUCCMNQESA-N 462.620 2.315 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N(C)[C@H]1CCCN(c2ccccc2)C1 1359327017 POZJRULZCXBXHT-FQEVSTJZSA-N 474.631 2.122 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCc3ccc(OC)cc3C2)nnc1[C@@]1(OC(C)C)CCOC1 1359335627 QDSHZUMAKWTTMN-XMMPIXPASA-N 490.626 2.491 30 10 JEEE C#CCNS(=O)(=O)N1CCN(c2nc(COC)nc3scc(-c4ccccc4)c23)CC1 1458554908 FPASYXODHQAWEG-UHFFFAOYSA-N 457.581 2.094 30 10 JEEE C=CCN(CC=C)[C@H](CNC(=O)NCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)C(C)C 1467660674 WRENCASAYZMAMB-LJQANCHMSA-N 451.612 2.064 30 10 JEEE CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N(O)CCCCc3ccccc3)c2)CC1 1472619936 KCASWOYEPIEXLZ-UHFFFAOYSA-N 459.568 2.394 30 10 JEEE C#CCN(C)CCCNC(=O)NCc1cccc(-n2cc(CNC(=O)OC(C)(C)C)nn2)c1 1478735975 LORLDMAXUNYFOX-UHFFFAOYSA-N 455.563 2.046 30 10 JEEE Cc1ccccc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(C#N)C1 1492593963 FIBFQUHUXMLJPI-DENIHFKCSA-N 458.588 2.098 30 10 JEEE CCC(O)(CC)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1497422274 FWTAZKYMSBTMIZ-SFHVURJKSA-N 465.602 2.157 30 10 JEEE COc1cc(Cl)ccc1-c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@H]1CCS(=O)(=O)C1 1504102243 DBLUTRDLRXLYPI-ORAYPTAESA-N 453.927 2.484 30 10 JEEE C#CCN(c1nnc(-c2ccc(Br)cc2)n1CC1(C)COC1)[C@@H]1CCS(=O)(=O)C1 1507628384 NYKVFASJZLHAMD-QGZVFWFLSA-N 479.400 2.371 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1C[C@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1507659303 QFMCDEAHLRHCEG-ACRUOGEOSA-N 496.612 2.001 30 10 JEEE C#CCN(CC)c1nnc(-c2cc(Br)c[nH]2)n1CCCN(C)S(=O)(=O)CC 1507681266 RPOIDOGSZULYTE-UHFFFAOYSA-N 457.398 2.167 30 10 JEEE C#CCN(CC)c1nnc(COc2ccc(Br)cc2)n1CC(=O)NCC(F)F 1507694730 RAISAIWSJQHEGE-UHFFFAOYSA-N 456.291 2.460 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@@H]2N(C)CCCC2(C)C)CC1 1507739228 BXOAWVNLUHYMOA-QFIPXVFZSA-N 463.630 2.350 30 10 JEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 1507953218 FFSBDHNOBQFZKZ-ZWKOTPCHSA-N 498.650 2.023 30 10 JEEE C=CCn1c(-c2cc(Br)cn2C)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1508050198 RNJUTUBCUNYKAY-UHFFFAOYSA-N 471.363 2.053 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1508078567 DMEROFIOIKJQGF-UHFFFAOYSA-N 496.612 2.493 30 10 JEEE CCc1cccc2c(CCn3c([C@H]4CN(S(C)(=O)=O)CCO4)nnc3N(C)C[C@@H](C)C#N)c[nH]c12 1513676702 GRXGAYWOBRQQPF-LAUBAEHRSA-N 499.641 2.493 30 10 JEEE CCN1CCN(C2CCN(c3nnc(COc4ccc(C#N)cc4)n3C[C@@H](C)N(C)C)CC2)C1=O 1515935588 DMWRKZTYBATFSY-LJQANCHMSA-N 480.617 2.405 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@]1(O)CCO[C@@H]1C 1539003086 LEOCCWQYVIXVOC-OBWXTZQISA-N 450.543 2.234 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1Cc1nccs1)[C@@H]1CCS(=O)(=O)C1 1539212541 QDNSIYRLGBSMJH-OAHLLOKOSA-N 473.580 2.094 30 10 JEEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1CCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1539230337 LZUJPPPYMRYIQH-IBGZPJMESA-N 478.018 2.233 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2CCc2ccsc2)CC1 1539467151 NWRCFHPJSIVRBB-UHFFFAOYSA-N 456.616 2.467 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CC2(SC)CCOCC2)CC1 1539482309 LBWGMSFDADCTAC-UHFFFAOYSA-N 468.627 2.142 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2CCNC(=O)C(C)(C)C)CC1 1539482335 LMNRPGUUJKJXEB-UHFFFAOYSA-N 468.577 2.136 30 10 JEEE C#CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCc2nn(C)c(=O)cc2C1 1539530542 IHNMMHCXXOJTNH-IBGZPJMESA-N 499.641 2.373 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(C)=O)C[C@H]1C 1539622861 YHFATFQNCCXKEQ-AGHHOFFYSA-N 487.626 2.387 30 10 JEEE C=CCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1540014709 SUNIKJBZHRKIGY-UHFFFAOYSA-N 489.020 2.458 30 10 JEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(=O)c2ccccc2)CC1 1540035522 DMOIGVXFXMJQCH-NRFANRHFSA-N 487.626 2.125 30 10 JEEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1540040288 REOJNMQJUYMQRN-SFHVURJKSA-N 462.595 2.439 30 10 JEEE C=CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCCNS(=O)(=O)CC 1540070986 BVFIFXQYSRZXHR-UHFFFAOYSA-N 470.640 2.344 30 10 JEEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1540874050 UCBOGUZAHOGOEF-UHFFFAOYSA-N 480.598 2.072 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(C)CC1 1540898263 FBTRXONCWOAKHG-UHFFFAOYSA-N 481.644 2.033 30 10 JEEE COC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCN2CCCO)C1 1554513836 BHGNCPQCQULASJ-SFTDATJTSA-N 452.559 2.053 30 10 JEEE COCCN1C[C@H](Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N(C)[C@@H](C)CC#N)CC1=O 1555571455 FDNWRAQMRVTJFM-RBUKOAKNSA-N 467.574 2.381 30 10 JEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](Nc3cc(OC)cc(OC)c3)C2)cc1 1566317501 AKRPQQBLLNWCEC-SFHVURJKSA-N 457.552 2.332 30 10 JEEE C#CCNC(=O)CN1CCCN(C(=O)[C@]2(c3ccc(OCC)cc3)CC2(Cl)Cl)CC1 1585000162 PLMIDCUHYVGRMC-OAQYLSRUSA-N 452.382 2.184 30 10 JEEE C=CCn1nc(C)c(-c2cc(C(=O)NCC3CCN(CC(=O)NC(C)(C)C)CC3)n[nH]2)c1C 1587455211 WYGGRUKNODPTMR-UHFFFAOYSA-N 455.607 2.433 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCSCCCO 1587638353 DFFCSIFQAJBNLQ-SJORKVTESA-N 453.609 2.160 30 10 JEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2ccccc2F)C1 1587765680 JAMWOYKPAOOOMV-LEWJYISDSA-N 491.589 2.132 30 10 JEEE C#CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1587823122 KIBPOLPQUWXINT-UHFFFAOYSA-N 478.513 2.324 30 10 JEEE C#CCN(c1nnc(-c2cccc3cccnc23)n1CCC(=O)N[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1588044727 BJSZAKJINUPKIN-AZUAARDMSA-N 494.621 2.425 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(OC)ccc2Br)n1CC(=O)NC(C)C 1588594715 JZJXYGNWAZOMQC-UHFFFAOYSA-N 464.364 2.327 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2Cc2ccc(C#N)o2)CC1 1588763071 RFFXECBIZQHOLZ-UHFFFAOYSA-N 462.510 2.239 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@H](C(C)C)N2CCOCC2)CC1 1588763207 SVEJLFZTPRLTBV-QHCPKHFHSA-N 452.603 2.066 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2C[C@H](F)COC)CC1 1588899043 LCYAVMSFOLFNMB-IBGZPJMESA-N 465.533 2.286 30 10 JEEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(CN2CCOCC2)CC1 1589110152 PYTMMDAVRPDYGF-UHFFFAOYSA-N 457.648 2.055 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CCS(C)(=O)=O 1589568718 LUCZINLJQSKVRB-NQIIRXRSSA-N 459.572 2.191 30 10 JEEE C=CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1594720298 IAMABMQWDQAWIU-UHFFFAOYSA-N 471.587 2.420 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1OC(F)F)C1CC1 1595058665 SSKXINPZKNANSP-SFHVURJKSA-N 483.541 2.416 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1595523134 QJJWGKTUBDBRQM-INIZCTEOSA-N 474.537 2.116 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCS[C@@H](C)[C@H]1C 1595537421 QUSSTJUUHJIMJE-CVEARBPZSA-N 467.599 2.307 30 10 JEEE C=CCOc1ccccc1Cn1c(-c2cccn2C)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1595649272 NRVCEWDSCBFNNI-LJQANCHMSA-N 470.599 2.415 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Br)nnc1N1CCC[C@H](CC(N)=O)C1 1595776673 CTWQJYMXHYHPHV-OAHLLOKOSA-N 496.431 2.400 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN(c2cccc(F)c2F)CC1 1595784629 JYTXUMPCVWNAJL-UHFFFAOYSA-N 476.553 2.489 30 10 JEEE CC(C)(C)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCS(=O)(=O)C2)CCO1 1597204193 GGCWLNSBZUYESS-ICSRJNTNSA-N 473.599 2.415 30 10 JEEE C=CCN(C(=O)c1cnn2c1C[C@H](CNC(C)=O)CC2)[C@@H](Cc1ccccc1)C(=O)OCC 1625220130 FGNIKYRZBWVTFA-OFNKIYASSA-N 452.555 2.384 30 10 JEEE COc1ccccc1OCc1nnc(N2CC[C@](F)(C#N)C2)n1CCN1CCN(C)C(C)(C)C1 1649681769 HGUXICLXXFGFLC-DEOSSOPVSA-N 471.581 2.334 30 10 JEEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 1689861647 YKJNQFRMPNRZMI-PXNSSMCTSA-N 450.543 2.024 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1CCOc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1689986130 JFQINUUCWQYOHX-FQEVSTJZSA-N 451.552 2.354 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CC(C)(C)COC)[C@H]1CCS(=O)(=O)C1 1689995827 AWTGNBANWIVESO-SFHVURJKSA-N 464.563 2.296 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC2(O)CCOCC2)CC1 1690138332 YZDDGOCUYXOPAY-UHFFFAOYSA-N 489.523 2.054 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Cl)n2CCCN2CCOC2=O)CC1 1690140072 KTOCYJJUTJNXBE-UHFFFAOYSA-N 470.961 2.407 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1690174943 MRHAQFCPLFCZBT-CABCVRRESA-N 466.551 2.094 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(n2cc(Cl)cn2)CC1 1690313644 ZPPNLGTUSKQCLP-INIZCTEOSA-N 469.011 2.464 30 10 JEEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1690315853 NZABWZJALKMYAX-NRFANRHFSA-N 453.591 2.439 30 10 JEEE C=C(C)COCCn1c(N2CCNC(=O)[C@@H]2CC)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1690320683 ZSOTXEOCHZVYQT-KSZLIROESA-N 462.595 2.356 30 10 JEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccnc(OCC(F)(F)F)c2)CC1 1690364895 ZTLICAAYACKRCY-AWEZNQCLSA-N 474.509 2.429 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCOCC1(C)C 1690609494 QJIASANKBGYPCZ-IBGZPJMESA-N 477.631 2.119 30 10 JEEE C=CCOc1ccccc1Cn1c(CN2CCCC2=O)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1690683570 OHJDDWYKECCXIO-LJQANCHMSA-N 473.599 2.027 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2c[nH]c3ccccc23)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1690723141 JGBZSYDZZCTZCE-QGZVFWFLSA-N 491.639 2.431 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1690724724 VGPPAYXLLMSFDA-LJQANCHMSA-N 465.620 2.102 30 10 JEEE CC(C)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1692489657 DURPNMGTLVCKMP-HXUWFJFHSA-N 472.615 2.084 30 10 JEEE COC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1697849658 AOJZKUHNKMNQGU-UYAOXDASSA-N 458.588 2.104 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCN1CCN(C(C)=O)CC1 1705491674 GQWTWGAZMDQREQ-PZJWPPBQSA-N 487.649 2.015 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1CCCN(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1705563155 RNOOHHDIPWDZCS-IBGZPJMESA-N 473.599 2.031 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1CCN1CCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1705565820 WNWMOUXMJGTNGV-RTBURBONSA-N 457.600 2.065 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCc1cccs1)[C@@H]1CCS(=O)(=O)C1 1705567901 BWKSBSKZTVPQRR-GOSISDBHSA-N 458.613 2.071 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CC1(CCOC)CCCC1)[C@@H]1CCS(=O)(=O)C1 1705570047 LYDNGMIMWHTCGG-OAQYLSRUSA-N 471.627 2.488 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCNC(=O)C1CCC1 1705588107 VZADPPHTOFJOQX-BGYRXZFFSA-N 468.602 2.428 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCCCn2ccnc2C)CC1 1705647694 IFBAMISZSUSKLL-OAQYLSRUSA-N 453.591 2.123 30 10 JEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1705664463 PTYHMCLLSJTKGR-UHFFFAOYSA-N 465.505 2.138 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1705693504 HKBJGTDGDJZXAV-MOPGFXCFSA-N 479.647 2.335 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1705695773 ZFEYQANVHGLWRG-VELGLUOQSA-N 458.607 2.425 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1705905635 BNXKNPMUIYCQIK-MJGOQNOKSA-N 469.590 2.306 30 10 JEEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCC(C(=O)N2CCCC2)CC1 1705907569 QNTOMKFNMXEZBN-UHFFFAOYSA-N 466.586 2.041 30 10 JEEE CCN(c1nnc(-c2ccc(C#N)cc2)n1CC1([S@@](C)=O)CCC1)[C@H]1CCS(=O)(=O)C1 1709938016 HDNQXIPNBZFOSW-YVGXBJCXSA-N 461.613 2.131 30 10 JEEE COC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2CCN(C(C)=O)CC2)C1 1711430979 GXOCLLFSTJTKEC-OAQYLSRUSA-N 450.543 2.465 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2CCS(=O)(=O)CC2CC2)c1 1722305459 QJCJTTWOLQQFNW-UHFFFAOYSA-N 478.578 2.221 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1CCN1CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1722364733 JAMVACMMCWQJHL-IRLDBZIGSA-N 485.654 2.236 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@@H](C)CN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1722370271 BFCCFXHQXAXDPR-JTHBVZDNSA-N 469.655 2.422 30 10 JEEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1722524037 IAMHGOBQBNGNQT-IRXDYDNUSA-N 469.608 2.176 30 10 JEEE C=C1CCN(c2nnc(CN3CCCC3=O)n2Cc2cccc(OCC(=O)N(C)C)c2)CC1 1722569138 NWJGKFQIJJXVHY-UHFFFAOYSA-N 452.559 2.072 30 10 JEEE C=CCn1c(Cc2ccccc2OC)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1722686768 LIGAKBINENFAOO-UHFFFAOYSA-N 451.531 2.121 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1722705139 AIOJSVKCKHQPRT-IBGZPJMESA-N 489.020 2.361 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCN(C(=O)N(CC)CC)CC2)cc1 1722706139 ORFNDMYZVQYBMV-NRFANRHFSA-N 481.601 2.426 30 10 JEEE C=CCOc1ccccc1Cn1c(COCC)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1722708174 LOHZKSJXFHRDEU-NZQKXSOJSA-N 482.629 2.417 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1cnn(C)c1C 1722737171 VZKVTQJLKVZFPX-RTBURBONSA-N 464.636 2.476 30 10 JEEE C=CCSCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCO[C@@H](C(=O)NC)C1 1722738429 JKGXALXIJYPSPG-QZTJIDSGSA-N 494.662 2.263 30 10 JEEE CC(C)(C)OC(=O)N1CCC(c2nnc(N3CC[C@@](F)(C#N)C3)n2CC2(S(C)(=O)=O)CC2)CC1 1722974240 HSZQALOGWNMWLC-OAQYLSRUSA-N 496.609 2.412 30 10 JEEE CC(C)(C)S(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(c2ccccc2C#N)CC1 1723017797 CCFVSMRWFBODSF-IBGZPJMESA-N 472.615 2.194 30 10 JEEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1740721006 UOQAKPPSLSIGQI-KRWDZBQOSA-N 453.659 2.404 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccnc2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1740757107 MZWHRTSHDYAFNW-FYYLOGMGSA-N 467.618 2.312 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CCOC)C(=O)C1 1740757125 SRJCQUAJEUFVEK-XLIONFOSSA-N 460.966 2.270 30 10 JEEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)CCOC(C)(C)C 1740960125 LOUDWDMYDPKJPE-UHFFFAOYSA-N 456.595 2.006 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1740961314 ABIRSKGKZLOPPI-DEOSSOPVSA-N 451.575 2.460 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Br)cc2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1740963256 FRDIXBSUTZKXNM-QAPCUYQASA-N 494.390 2.162 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 1740989694 VOGDSMSXGDCIQL-UHFFFAOYSA-N 486.623 2.273 30 10 JEEE CC(C)C(=O)NCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1741296188 DXJBUFOLCKDFGI-UHFFFAOYSA-N 476.560 2.373 30 10 JEEE CN(c1nnc(COc2ccc(C#N)cc2)n1CC(F)(F)F)C1CCN(S(C)(=O)=O)CC1 1747659928 FWAQJBDREIIKOQ-UHFFFAOYSA-N 472.493 2.151 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1(S(C)(=O)=O)CCC1 1748690555 UWRVSLCFOMUCSH-ZACQAIPSSA-N 465.620 2.474 30 10 JEEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1748713903 VJFGOSFYYBIABJ-IBGZPJMESA-N 452.607 2.051 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCO[C@@H]1C(=C)C)[C@@H]1CCS(=O)(=O)C1 1748807637 ADMXURFKKMZGRM-CEWLAPEOSA-N 485.566 2.461 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1CCCSC)[C@@H]1CCS(=O)(=O)C1 1748808170 AOBRZIISVFQSCQ-QGZVFWFLSA-N 462.597 2.096 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1nc(C)c(C)s1 1748831552 PBIXUGDSRLWLGR-UHFFFAOYSA-N 468.608 2.390 30 10 JEEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CCC2(CCN(C)C2=O)CC1 1749234531 GTCYCHKKZDCJLW-UHFFFAOYSA-N 472.615 2.311 30 10 JEEE C=CCCCCn1c(-c2ccccc2C)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1749395415 IHTFWXHTEQAMMP-UHFFFAOYSA-N 464.574 2.076 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCOCC2(CC2)C1 1749682322 RORVODDSMRWKSK-KRWDZBQOSA-N 460.579 2.269 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2CCCCS2(=O)=O)C1 1749695630 GCCQDHCXVVGBIE-UYAOXDASSA-N 494.639 2.097 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1749723790 BMVPGVXOMTVNJL-LJQANCHMSA-N 488.570 2.045 30 10 JEEE CC(C)(O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1750529783 BTVXJYAJMGFQIR-INIZCTEOSA-N 450.465 2.483 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1(N(C)C)CCOCC1 1760100469 BOIZKMAPLFOPGI-QGZVFWFLSA-N 473.647 2.115 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(S(C)(=O)=O)CCCC1 1760117084 MDNHFJXBDOBUMJ-ZWKOTPCHSA-N 495.646 2.402 30 10 JEEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2F)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1760123373 DUMJCHNSIOSICB-AZUAARDMSA-N 456.566 2.397 30 10 JEEE C#CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1760139062 PYKQPHVDZBWPFQ-OALUTQOASA-N 495.646 2.403 30 10 JEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 1760144926 FARSXHSIIXRUCL-HZPDHXFCSA-N 494.021 2.205 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCOc2cc(C)cc(C)c2)CC1 1760264842 GQANPEFHVXZHNQ-UHFFFAOYSA-N 478.597 2.176 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCCN(C)CC(F)(F)F)CC1 1760269250 CDJDQXKUKQIIQQ-GOSISDBHSA-N 470.540 2.022 30 10 JEEE C#CCSCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1760278161 ZYBAQIDUEVEWRA-QZTJIDSGSA-N 455.584 2.434 30 10 JEEE C=C(C)COCCn1c(-c2cc(Br)cn2C)nnc1N1CC(=O)N(C)[C@@H](C)C1 1760350878 VIMNOHURLHMECO-AWEZNQCLSA-N 451.369 2.306 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1CCN(Cc2ccccc2)C1 1760374342 MVEQTNLYYWZACC-PMACEKPBSA-N 495.049 2.074 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nc2c(s1)C[C@@H](C)CC2 1760495704 VAQXQZJBWBYOJU-FUHWJXTLSA-N 492.671 2.419 30 10 JEEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](CNC(=O)Nc2ccc(C)cc2)C1 1760506534 DCEVANZERNKXEF-MSOLQXFVSA-N 475.619 2.421 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(O)(C(F)(F)F)CC1 1760552949 HCBKSPHEJNKOCC-UHFFFAOYSA-N 479.912 2.488 30 10 JEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N(C)[C@@H](C)c1cc(F)ccc1F 1760557192 CKFZTEJOBNHRRS-HNNXBMFYSA-N 467.542 2.477 30 10 JEEE CC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cnn(CCOC)c2)CCO1 1763580020 ANCURHHDXYYYAH-FQEVSTJZSA-N 451.531 2.235 30 10 JEEE COc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CCN(CC(F)(F)F)C1 1770518166 FRWVMGPMLUMYRL-DLBZAZTESA-N 480.491 2.479 30 10 JEEE COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cnccc2OC)CCO1 1770959993 BRKYQTHOKGKGBC-HXUWFJFHSA-N 450.499 2.032 30 10 JEEE COCCN1C[C@H](Cn2c(Cc3ccncc3)nnc2N(C)Cc2ccc(C#N)cc2)CC1=O 1771128748 GJYLNBZFLZVXTP-JOCHJYFZSA-N 459.554 2.267 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1772660180 KMRIXYIFEVITGL-IBGZPJMESA-N 472.571 2.132 30 10 JEEE C=CCOc1ccccc1[C@@H]1C(C(=O)NCCCN2CCCC2=O)=C(N)Oc2c1c(C)nn2C 1864318076 PFIPGZHEBZVTPY-NRFANRHFSA-N 465.554 2.117 30 10 JEEE C=CCN(CC=C)C(=O)[C@@H](CCCC)NC(=O)c1ccc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)cc1 1868641284 COCOJALPUPPWFW-NHCUHLMSSA-N 496.651 2.137 30 10 JEEE C=CCN(CC=C)c1nc(=NC(=O)c2ccc(Br)cc2)n([C@@H]2CCS(=O)(=O)C2)[nH]1 1870005142 YGRFYQNTHSSDKW-MRXNPFEDSA-N 480.388 2.253 30 10 JEEE Cc1nc(SCc2cc(=O)c(OCC(N)=O)cn2CCCN2CCCC2=O)c(C#N)c(C)c1C 1870182424 QEVIRMNGBPORCR-UHFFFAOYSA-N 483.594 2.209 30 10 JEEE CCCCCCCCn1cc(OCC(=O)NCCCO)c(=O)cc1CN1CCC(O)CC1 1870355779 HEMGTRWDJXJWAB-UHFFFAOYSA-N 451.608 2.043 30 10 JEEE C=CCn1cc(OCC(=O)N=c2nc3nc(C)cc(C)n3[nH]2)c(=O)cc1CNc1cccc(C)c1 1870852237 BJCWLNJXBVYIPE-UHFFFAOYSA-N 473.537 2.449 30 10 JEEE N#Cc1nc(-c2ccc(Cl)cc2)oc1S(=O)(=O)NCCc1ccc(S(N)(=O)=O)cc1 1871288094 XACXBGLIMAOSQX-UHFFFAOYSA-N 466.928 2.035 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2[C@H](NS(=O)(=O)c3cscc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2255795083 RZHFPQUEMPTUSU-VIKVFOODSA-N 470.422 2.191 30 10 JEEE CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1csc(B2OC(C)(C)C(C)(C)O2)c1 2255845405 JDRRAZGELIPVIR-GJZGRUSLSA-N 452.382 2.411 30 10 JEEE CC(C)(C)OC(=O)NOCCNS(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2255932786 GMGYNYQOSDBEFR-UHFFFAOYSA-N 476.788 2.374 30 10 JEEE Cc1csc(CN(C)C(=O)[C@@H](CO)NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2256621856 ZUNFMMPFIJFFHB-CQSZACIVSA-N 454.398 2.200 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)sc1CNC(=O)[C@@H](O)[C@H](C)NC(=O)OC(C)(C)C 2256625589 YSRXORRJACUXCH-BBRMVZONSA-N 454.398 2.246 30 10 JEEE CN(Cc1sccc1B1OC(C)(C)C(C)(C)O1)C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C 2256667136 YUDBBJMHDSRZQN-HNNXBMFYSA-N 454.398 2.281 30 10 JEEE CC[C@](C)(CNC(=O)OC(C)(C)C)N(C)C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2267127024 FQHHEZYXMILOSH-JOCHJYFZSA-N 450.389 2.485 30 10 JEEE Cc1cc(S(=O)(=O)N[C@H]2CON(C(=O)OC(C)(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2267351808 FBFWHOIICNOFPC-OAHLLOKOSA-N 468.381 2.123 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H]1NS(=O)(=O)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2267470395 JWEZJRAXRXYLPX-ROUUACIJSA-N 466.409 2.461 30 10 JEEE CC(C)(C)OC(=O)Nc1ccc(CC(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)nc1 2268635174 OLCPJUGJSBJUAS-UHFFFAOYSA-N 461.353 2.182 30 10 JEEE CC(C)(C)OC(=O)N[C@]1(C(=O)Nc2ccc(F)c(B3OC(C)(C)C(C)(C)O3)c2)C[C@H](O)C1 2268720586 XSTJBDRCUZBLGD-XLOAEROZSA-N 450.316 2.482 30 10 JEEE Cn1cc(C(=O)NCC[C@H](NC(=O)OC(C)(C)C)C(F)(F)F)nc1B1OC(C)(C)C(C)(C)O1 2282043558 NVLRJNFVSNCUBW-ZDUSSCGKSA-N 476.305 2.295 30 10 JEEE COC1(CNC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2Cl)CN(C(=O)OC(C)(C)C)C1 2282053716 JVLUCODAXBAGGK-UHFFFAOYSA-N 481.786 2.400 30 10 JEEE CC(C)(C)OC(=O)N1CCCO[C@H](CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2282092085 LCAAIHXPEGXKES-QGZVFWFLSA-N 461.368 2.137 30 10 JEEE CN(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)[C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 2282174511 GJDUPKJRVQYSDX-HUUCEWRRSA-N 463.388 2.022 30 10 JEEE C[C@H]1CCN(S(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CCN1C(=O)OC(C)(C)C 2282347843 DBTZMBCWFBLAMI-INIZCTEOSA-N 481.424 2.401 30 10 JEEE CC(C)(C)OC(=O)NCC1(CNC(=O)c2cccc(F)c2B2OC(C)(C)C(C)(C)O2)COC1 2282408343 CJPSQDNSSUSTEL-UHFFFAOYSA-N 464.343 2.396 30 10 JEEE CO[C@H]1CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)c(F)c2)C[C@@H]1NC(=O)OC(C)(C)C 2282472926 DUDWKVUVWDXCTN-ROUUACIJSA-N 464.343 2.489 30 10 JEEE CC(C)(C)OC(=O)NC[C@]12CN(C(=O)c3ncsc3B3OC(C)(C)C(C)(C)O3)C[C@H]1CCO2 2282522983 RWKILZQSSNIAMR-PEBXRYMYSA-N 479.408 2.198 30 10 JEEE Cn1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@@H](NC(=O)OC(C)(C)C)C3)nc1B1OC(C)(C)C(C)(C)O1 2282554615 GORKTOKMAGVOIY-PHZGNYQRSA-N 460.384 2.380 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H](CNC(=O)OC(C)(C)C)C(F)(F)F 2282588374 UGVMBUDYMBBCMG-CYBMUJFWSA-N 476.305 2.388 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)[C@@H](CC(F)F)C1 2282590566 CSAXTURDYJQKJD-ZDUSSCGKSA-N 470.326 2.426 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@H]2CCN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)sn3)C[C@H]21 2282604276 QZWMBVOSSBUXJM-CVEARBPZSA-N 479.408 2.293 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H]2OCCN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)c[nH]3)[C@@H]2C1 2282623760 QVXONYUFTSLVRT-QZTJIDSGSA-N 461.368 2.164 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CN(S(=O)(=O)c3ccc(F)cc3B3OC(C)(C)C(C)(C)O3)C[C@@H]21 2282827756 CWCDIUVZHKJSKW-JLVBRIDZSA-N 482.383 2.269 30 10 JEEE CC1(C)OB(c2nccnc2C(=O)N[C@H]2CN(Cc3ccccc3)CC(F)(F)C2)OC1(C)C 2283071440 FGGXRJMBZKWOKA-QGZVFWFLSA-N 458.318 2.415 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)OCC1(C)C 2284012196 TZKPXRZCWFPZCP-HNNXBMFYSA-N 481.424 2.473 30 10 JEEE C[C@H](O)CN(CCNC(=O)OC(C)(C)C)C(=O)c1c(F)cccc1B1OC(C)(C)C(C)(C)O1 2285412447 GBMAKXCWADUQHN-HNNXBMFYSA-N 466.359 2.473 30 10 JEEE COc1cc([C@@H]2C(=C(O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN(C)C)cc(OC)c1OC 2296562366 GHYXCKVXLRSMTF-JOCHJYFZSA-N 498.532 2.467 30 10 JEEE CC(C)(C)OC(=O)N[C@@]1([C@H](N)C#CC2(S(C)(=O)=O)CCC2)CCN(Cc2ccccc2)C1 2319392522 AYGQBWRMJXASNB-YKSBVNFPSA-N 461.628 2.454 30 10 JEEE CCOc1ccc(C=NNc2cnn([C@@H]3CCS(=O)(=O)C3)c(=O)c2Br)cc1OC 2322659922 GFIFYTCPPXXEMP-CYBMUJFWSA-N 485.360 2.219 30 10 JEEE COC(=O)CSc1nnc([C@H]2CC(=O)N(c3ccc(OC)cc3)C2)n1N=Cc1ccc(O)cc1O 2325881643 UVDZHGVWTYSOGL-HNNXBMFYSA-N 497.533 2.366 30 10 JEEE COc1ccc(OC)c(C=Nn2c(COc3ccccc3OC)nnc2SCC(N)=O)c1 2328261417 DPSIKVXONGYTQG-UHFFFAOYSA-N 457.512 2.343 30 10 JEEE COc1cccc(C=Nn2c(Cc3ccccc3[N+](=O)[O-])nnc2SCC(N)=O)c1OC 2328465519 GAERJKCSEQQASY-UHFFFAOYSA-N 456.484 2.254 30 10 JEEE CCN(CC)C(=O)CSc1nnc(CCOC)n1N=Cc1cc(OC)c(OC)c(OC)c1 2331237161 XVKIKASIORXDSE-UHFFFAOYSA-N 465.576 2.336 30 10 JEEE C=CC1(N[C@@]2(C(=O)O)CO[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)CN(C(=O)OC(C)(C)C)C1 2350990356 KYTZKDFFKRKREY-DHIUTWEWSA-N 467.563 2.375 30 10 JEEE C[C@@H]1CCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)[C@@H](CNC(=O)OC(C)(C)C)C1 2362357019 LCVNBCHEMGAQGH-HZPDHXFCSA-N 462.400 2.485 30 10 JEEE Cn1cnc(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 2362448361 ISWPCDDGGGLXTR-XHSDSOJGSA-N 460.384 2.237 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)c3cc(C)n([C@H]4CCS(=O)(=O)C4)c3C)cc2C1=O 9701628 ATTAALQALHVPRV-KRWDZBQOSA-N 484.530 2.286 30 10 JEEE COC(=O)c1ccc(/C=N/Nc2nc(SCC(=O)NCc3ccccc3OC)n[nH]2)cc1 20905780 SHEURZQMMJDOEL-FOKLQQMPSA-N 454.512 2.454 30 10 JEEE COc1ccc(Br)cc1/C=N/Nc1nnc(SCC(=O)Nc2nccs2)n1N 21320656 BDEZDBSWXBHRJE-FBCYGCLPSA-N 483.377 2.396 30 10 JEEE Cc1nn(CCO)c(C)c1/C=N/Nc1nc(SCC(=O)NC2C3CC4CC(C3)CC2C4)n[nH]1 59887633 OSLDZJSCTYZMGN-AUEPDCJTSA-N 472.619 2.089 30 10 JEEE CCOC(=O)/C(C(=O)CSCC(=O)Nc1ccc(C)cc1)=C(\N)NC(=O)c1ccccc1 101771621 CUPNANWQEMLKGM-QZQOTICOSA-N 455.536 2.399 30 10 JEEE N#Cc1ccccc1S(=O)(=O)N1CCN(S(=O)(=O)c2csc(-c3ccccc3)n2)CC1 500442895 WPLXLONZRYXSMC-UHFFFAOYSA-N 474.589 2.377 30 10 JEEE C#CCN(C(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc(C)c2)c1)[C@H]1CCS(=O)(=O)C1 729330568 GELQOLFSCLKXAA-FQEVSTJZSA-N 460.577 2.367 30 10 JEEE C#CCN(C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@H](C)C2)c1)[C@H]1CCS(=O)(=O)C1 729331033 MDRAPQUWAPILOJ-RDJZCZTQSA-N 473.016 2.023 30 10 JEEE C=CCn1c(-c2cccc(S(=O)(=O)N(CC)CC)c2)nn(CN2CCNC(=O)CC2)c1=S 913091073 PKHWIRZBURPLRA-UHFFFAOYSA-N 478.644 2.077 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)nc2)ccc1F 915605186 KBYBJYXBXRUQNP-HOTGVXAUSA-N 462.547 2.229 30 10 JEEE Cc1nn(CCO)c(C)c1C=NNc1nc(SCC(=O)NCc2cccc(C(F)(F)F)c2)n[nH]1 1084006325 QINPJJKSJYBSIF-UHFFFAOYSA-N 496.519 2.484 30 10 JEEE C=CCOC[C@H](NC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1C)C(=O)OC 1139176043 QHOULJODYBJUNZ-SFHVURJKSA-N 450.488 2.409 30 10 JEEE C=CC1(CC(=O)N2CCO[C@@](COC)(C(=O)OC(C)(C)C)C2)CN(C(=O)OC(C)(C)C)C1 1169073634 ATUYIAKAGRAUKZ-QHCPKHFHSA-N 454.564 2.385 30 10 JEEE Cc1cc(NC(=O)N2CCN(S(=O)(=O)NCc3ccccc3)CC2)c(C#N)cc1N(C)C 1205941897 HTWVYKAKBOVMLA-UHFFFAOYSA-N 456.572 2.117 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCS(=O)(=O)CC=C 1286290155 QHHZIPFJWIUGDY-QGZVFWFLSA-N 468.583 2.295 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCOc1ccccc1Cl 1286350199 XCROPZVIEQHYQD-IBGZPJMESA-N 482.006 2.193 30 10 JEEE C#CCCCn1c(Cc2ccccc2OC)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1286351407 QOPWLLIDWNWEDT-NRFANRHFSA-N 450.543 2.058 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1CC(F)(F)CNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1286391798 JEYMNRQBRSVHIS-MRXNPFEDSA-N 487.573 2.017 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H](C)CN1CCOCC1 1286418266 FLWXULWBJPWEJU-FQEVSTJZSA-N 451.571 2.394 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2Cc2cccc(C(=O)NCCC)c2)CC1 1286482614 UQRILJLSZPRIEP-UHFFFAOYSA-N 457.582 2.207 30 10 JEEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1286500400 XFFKPQCLEDEMLW-UHFFFAOYSA-N 490.593 2.240 30 10 JEEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1286511324 IWGNBARTIPPXOO-UHFFFAOYSA-N 492.634 2.229 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCn1cnnn1 1286528500 CVRUJIIFPGPFKD-HTAPYJJXSA-N 455.567 2.419 30 10 JEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1286600976 GNAGXJKMHSTEEU-UHFFFAOYSA-N 465.620 2.045 30 10 JEEE C=CCC(C)(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1286668500 ROZAOXDLVKZDEU-GOSISDBHSA-N 495.671 2.421 30 10 JEEE CN(C)C(=O)COc1cccc(Cn2c([C@H]3CCOC3)nnc2N2CCC[C@](C)(C#N)C2)c1 1298016950 FYLOXNUNHJNZNB-YADARESESA-N 452.559 2.427 30 10 JEEE CO[C@@]1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(C(=O)C(C)(C)C)CC2)CCOC1 1299799939 GJUCFHWCULKADR-XMMPIXPASA-N 452.559 2.317 30 10 JEEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 1300380437 BCPQTGIUYPBBCZ-MRXNPFEDSA-N 467.555 2.184 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1CCc1nc(C)c(C)s1)[C@@H]1CCS(=O)(=O)C1 1300488682 UORULTBGMZXGPK-QGZVFWFLSA-N 458.613 2.226 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1CCCc1nc(C)no1)[C@H]1CCS(=O)(=O)C1 1300504676 QCGKDLDXIXPLNB-IBGZPJMESA-N 484.582 2.116 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2C[C@H](C(C)C)N2CCOCC2)CC1 1300719276 UUUHNANBPINVLQ-HSZRJFAPSA-N 494.640 2.276 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3COc4ccccc4O3)n2C[C@H](C)N(CC)CC)CC1 1300724695 BZCIHPGRBOICAK-WMZHIEFXSA-N 480.613 2.487 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCCO2)nnc1N1CCC(NS(C)(=O)=O)CC1 1300883501 BUFLVDZTBKKMJR-NEWSRXKRSA-N 453.609 2.019 30 10 JEEE C=CCn1c(CSc2ccccc2OC)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1301472750 JFUWCFVHWPFKSW-GOSISDBHSA-N 493.655 2.396 30 10 JEEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)CCC(F)(F)F 1301501493 YELVLYCRFXYNIB-UHFFFAOYSA-N 452.485 2.143 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 1301521036 YHGHPOABBYFVAW-GOSISDBHSA-N 476.940 2.187 30 10 JEEE C=CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1301614930 APBNZZGBTVURQM-UHFFFAOYSA-N 489.671 2.296 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CCCNC(=O)c1cccc(O)c1 1358896699 KCHRLEYHILNSOZ-MRXNPFEDSA-N 466.567 2.253 30 10 JEEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCCN(Cc2noc(C)n2)CC1 1358915602 JLGSNSSOHCOJLZ-UHFFFAOYSA-N 451.579 2.347 30 10 JEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCCO[C@@H](C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1358955767 SUQLXFHDFZMNFX-RBBKRZOGSA-N 499.637 2.309 30 10 JEEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1Cc1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 1358956840 LKPMEGLOLMFPRF-DENIHFKCSA-N 479.002 2.259 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@@](C)(O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1358967874 UUWBIPODYCBGQX-AUSIDOKSSA-N 460.600 2.199 30 10 JEEE C#CCN(c1nnc(COCC)n1Cc1cc(C)ccc1OC(F)F)[C@H]1CCS(=O)(=O)C1 1358968074 YTHSLIIHAKWABU-KRWDZBQOSA-N 468.526 2.399 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(C)CCOCC1 1359025396 MNMUCFWOWQMBLD-LJQANCHMSA-N 477.606 2.489 30 10 JEEE C#CCN(CCOC)c1nnc(COc2ccc(Br)cc2)n1C[C@@H]1COCCO1 1359026902 NXUGNHZLFCZNAE-GOSISDBHSA-N 465.348 2.121 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(OCC)cc3)n2CC(=O)NCC(F)(F)F)CC1 1359030331 SZKWIDZAMMRIEZ-QGZVFWFLSA-N 494.518 2.251 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCOC2)nnc1N(C)CCNS(=O)(=O)c1ccc(C)cc1 1359099768 STCXWKQFULTPLL-VWPQPMDRSA-N 489.642 2.486 30 10 JEEE C=C(C)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1359119960 XXVVITBANWZWPX-MRXNPFEDSA-N 450.337 2.244 30 10 JEEE C=CCN(C)c1nnc(Cc2csc(C)n2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1359242992 ZSSNMFZPSRNNOQ-AEFFLSMTSA-N 450.634 2.460 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c(C2CC2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1)C(C)C 1359265869 NLABHDDZUQWMJZ-QFIPXVFZSA-N 483.661 2.125 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@@]3(CCO[C@H]3C)C2)cc1 1359306852 SETHWSFHRFMAOE-UUOWRZLLSA-N 455.559 2.414 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)CC1CCC1 1359331275 SXJFFSWMKJUJCG-UHFFFAOYSA-N 466.633 2.075 30 10 JEEE C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 1465138581 HPAOICJBHXJHSK-UWJYYQICSA-N 464.588 2.020 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)N3CCO[C@@]4(CCN(C(=O)OC(C)(C)C)C4)C3)cc2C1=O 1472466850 ONNWRPXISJMZQP-DEOSSOPVSA-N 455.511 2.321 30 10 JEEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C[C@@H](C)S1 1494251594 AQQZEEPAACIUBB-NUJGCVRESA-N 460.629 2.428 30 10 JEEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C[C@@H](C)S1 1494251596 AQQZEEPAACIUBB-SOLBZPMBSA-N 460.629 2.428 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1CCS(=O)(=O)NC(C)C 1507523527 PIFUKFCBLZGMDE-CQSZACIVSA-N 454.394 2.493 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1c[nH]c2cccc(C)c12 1507539484 WCCUGZLGMYHBPZ-PXNSSMCTSA-N 470.599 2.101 30 10 JEEE C=C(C)COCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@@H](C(=O)NC)C1 1507835999 SVAUMDPBCPNXPW-GOSISDBHSA-N 474.993 2.417 30 10 JEEE C=CCN(Cc1cccs1)c1nnc(C(=O)N2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1508006137 JTTZYHGMRCZEQN-XUTLUUPISA-N 481.582 2.295 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](c2ccc(F)cc2Cl)C1 1508070699 BHAINTQMAVISQS-KRWDZBQOSA-N 464.929 2.089 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(CC2CCOCC2)CC1 1508093593 VOALLPPELHNOME-UHFFFAOYSA-N 482.629 2.325 30 10 JEEE CC(=O)N1CC[C@@H](CN(C)c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCN(C(C)=O)C2)C1 1508197352 GGNSFSHSURKATO-PKTZIBPZSA-N 493.612 2.292 30 10 JEEE CC(C)n1nc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCC(C)(C)O)c2ccccc2c1=O 1509578287 FSRJBTFJHQHIFW-INIZCTEOSA-N 451.531 2.126 30 10 JEEE CCC(O)(CC)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2oc(C3CC3)nc2C#N)CC1 1513512623 AYYKFLZSWMJCOJ-UHFFFAOYSA-N 470.578 2.031 30 10 JEEE CN(C)C(=O)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1516959458 CZLZQZPLLSGSPH-PMACEKPBSA-N 452.559 2.460 30 10 JEEE CN(C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1)c1ccsc1 1516978636 CCTMIEBXMFXQCM-HXUWFJFHSA-N 485.639 2.263 30 10 JEEE CCOC(=O)c1sc(NC(=O)CN2CCN(C(=O)OC(C)(C)C)CC2=O)c(C#N)c1C 1522996335 GAVXRAHSWAVHNE-UHFFFAOYSA-N 450.517 2.123 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@@H]2OCCC2(C)C)c1 1539038443 PDKSBILVEBOAIO-FQEVSTJZSA-N 464.570 2.385 30 10 JEEE C#CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H]1CCCN1CCCO 1539176093 HLLMKFMZJPMWMM-HXUWFJFHSA-N 460.623 2.309 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H](C)CNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1539210643 FJWRJPKJGJBLDD-PKOBYXMFSA-N 488.614 2.128 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(OCCC)cc2)CC1 1539466581 CPXFCTLRBQHPCN-UHFFFAOYSA-N 466.586 2.219 30 10 JEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2ccc(F)c(F)c2)C1 1539496263 FJCJUCXPULOEEL-KDOFPFPSSA-N 485.582 2.111 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC[C@H]1COCCO1 1539556637 FSCLGUULFKPXKY-XLNZFTOWSA-N 475.590 2.384 30 10 JEEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)c2ccsc2)CC1 1540020777 WZZUZFMQZRHUSL-UHFFFAOYSA-N 458.588 2.131 30 10 JEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2ccccc2F)C1 1540037270 GXHNQIWHRHVDJK-PXNSSMCTSA-N 464.563 2.490 30 10 JEEE C=CCN(c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CCN(S(C)(=O)=O)C1)C1CC1 1540095560 SEDUZUWFRMNICI-CQSZACIVSA-N 483.436 2.482 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CCN(c2ccccn2)CC1 1540907098 LHYBIWITWGRLJT-UHFFFAOYSA-N 482.610 2.488 30 10 JEEE COc1ccccc1O[C@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1 1555093401 DIFZBIHKKFLLBD-SJLPKXTDSA-N 459.572 2.396 30 10 JEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCNC(=O)c1cccc(O)c1 1587922108 RXAMFCRTVQQMGW-UHFFFAOYSA-N 495.609 2.142 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCCN(C(C)C)C1)[C@H]1CCS(=O)(=O)C1 1588053413 FCSAWQFWCZXGLO-HKBOAZHASA-N 463.648 2.267 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCc1cnn(C)c1 1588128603 PRAMWPRSJPDCJU-UHFFFAOYSA-N 454.538 2.114 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC(=O)NCC(F)(F)F 1588314344 BPLXQPPKQJPYFD-UHFFFAOYSA-N 475.475 2.203 30 10 JEEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1589089333 QQFXOXYLRLTNCG-UHFFFAOYSA-N 498.682 2.380 30 10 JEEE C#CCSCCn1c(N2CCC(S(=O)(=O)CC)CC2)nnc1[C@]1(OC(C)C)CCOC1 1589126081 WXMBTCYMDCNLKJ-NRFANRHFSA-N 470.661 2.089 30 10 JEEE C=C(C)COCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1593735774 RNTXZACLHUNDDY-CVEARBPZSA-N 474.587 2.444 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1594497413 GUEXEIVKMACCLJ-KRWDZBQOSA-N 451.637 2.477 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1595594606 NQQUBRYRKXAPJJ-IBGZPJMESA-N 482.564 2.423 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 1595785283 VKCKLHNCRQKKCC-UHFFFAOYSA-N 454.512 2.412 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCOC[C@H]1C 1595799050 WFIQXHAUCVXDGV-QZTJIDSGSA-N 483.635 2.219 30 10 JEEE CN(Cc1ccc(C#N)cc1)c1nnc(C(=O)N2CCCC2)n1C[C@H](N1CCOCC1)C(F)(F)F 1617868460 BNOIQQDDNKFWRT-IBGZPJMESA-N 491.518 2.285 30 10 JEEE C#CCN(CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)C(=O)OC(C)(C)C 1618697331 MHXDBEVJOKMVQW-UHFFFAOYSA-N 455.964 2.043 30 10 JEEE C=CCOC[C@H](NC(=O)c1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1C)C(=O)OC 1626205202 ZDURLERORFHDLZ-IBGZPJMESA-N 450.488 2.409 30 10 JEEE Cc1nn(C)c(N2CCN(C(=O)NCCc3nc(-c4ccc(Cl)cc4)no3)CC2)c1C#N 1631130909 GQMBNYCPCAJDAH-UHFFFAOYSA-N 454.922 2.378 30 10 JEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3nc(-c4ccccc4)no3)CC2)cc1 1633728441 DVWYWHWOAKZYOG-UHFFFAOYSA-N 451.508 2.325 30 10 JEEE C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCN(Cc3cn4ccccc4n3)CC2)cc1 1676350299 GNBJNBHMLQVUJD-QGZVFWFLSA-N 452.540 2.370 30 10 JEEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1C[C@@]1(C)COCCO1)[C@@H]1CCS(=O)(=O)C1 1689979743 GQTGIIPKXQEDKX-LGVFNWMJSA-N 472.611 2.252 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCOCC(=C)C)[C@@H]1CCS(=O)(=O)C1 1689981948 DVMJRRPBPQIMRC-LJQANCHMSA-N 459.528 2.073 30 10 JEEE C#CCN(c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC(=O)NCC=C)[C@H]1CCS(=O)(=O)C1 1689982059 HECYTBTWCPPRPP-AEFFLSMTSA-N 487.651 2.060 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@H]1OCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1689994102 RDXJXJIJVCZJAH-QZTJIDSGSA-N 463.629 2.076 30 10 JEEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1C[C@H]1OCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1689995806 AITMGZUWFVNSJM-GHTZIAJQSA-N 488.610 2.308 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccnc2)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1690243113 HKGFBYGYZCPSPD-HBMCJLEFSA-N 475.615 2.351 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1690288190 LTGCBVYNRXABKH-OAQYLSRUSA-N 486.598 2.107 30 10 JEEE C=C(C)COCCn1c(-c2ccccn2)nnc1N1CCN(c2nccc(OCC)n2)CC1 1690307376 YQGNUOFNWMFYEL-UHFFFAOYSA-N 450.547 2.448 30 10 JEEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C(C)(C)C)C1 1690509098 WVLNPPQEOWABDX-QZTJIDSGSA-N 455.625 2.076 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccnc(C(F)(F)F)c2)C1 1690685638 AWVPWVMHYXAGJI-ZFWWWQNUSA-N 474.509 2.132 30 10 JEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCS(=O)(=O)c1ccccc1 1705550614 PBCPEJSHVDQUDJ-UHFFFAOYSA-N 486.623 2.172 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1CCCN1CCCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1705563641 BKPBVRSZGPYKNM-VQTJNVASSA-N 456.616 2.231 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1CCCCOc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1705567356 XCNLYFZAPGCWBR-LJQANCHMSA-N 484.557 2.360 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)c1nc(-c2ccccc2)no1 1705613344 YQIJLTOZKGTYKC-WMZOPIPTSA-N 454.556 2.493 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2cccc(C(F)(F)F)n2)CC1 1705643726 QJSRNXFJDZHGAL-LPHOPBHVSA-N 464.492 2.219 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2CCN(CC)C2CC2)CC1 1705646648 LNEMOPBYNPPLAH-UHFFFAOYSA-N 450.587 2.404 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccccc2COCC)CC1 1705647793 KJHSPLWTDKLLJL-QFIPXVFZSA-N 451.571 2.333 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(F)ccc2Br)n1C[C@]1(O)CCS(=O)(=O)C1 1705669412 LTXQFOGJVNIJPL-WOJBJXKFSA-N 497.390 2.388 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CCN1CCOCC1 1705709916 SZLRJCFTSYTSSH-XUZZJYLKSA-N 466.586 2.478 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCCN1C1CC1 1705716316 GYVSOLLXVVNQHV-VQTJNVASSA-N 466.652 2.030 30 10 JEEE C=CC1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCS(=O)(=O)NC(C)C)CC1 1705779034 SDMOODUUNDJSRP-UHFFFAOYSA-N 461.588 2.447 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1705931953 GKKPXSJLXVVEKC-UHFFFAOYSA-N 471.543 2.109 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N(C)[C@@H]1CCN(Cc2ccccc2)C1 1705932783 ZHFSJOALYQTQKO-HXUWFJFHSA-N 467.599 2.047 30 10 JEEE CC(C)[C@@H](Cn1c(COc2ccc(F)cc2)nnc1N1CCO[C@@H](C#N)C1)N1CCOCC1 1706263552 AVFKQKVGIZQCAR-LEWJYISDSA-N 458.538 2.082 30 10 JEEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1722339150 WZDGAQOBBBVYDH-UHFFFAOYSA-N 481.626 2.205 30 10 JEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCOc1ncccc1Cl 1722349853 DQWFMZVKCANUGF-UHFFFAOYSA-N 459.963 2.435 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCOC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1722359352 LRRRGQKMHLZOHH-KPFFTGBYSA-N 473.555 2.153 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1C[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 1722419040 LVBJBRFYMBULFB-GBESFXJTSA-N 474.606 2.005 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1Cc1nnn(C)n1 1722420397 GJNPBADIAWDFGO-MRXNPFEDSA-N 458.954 2.346 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1722484414 IABVCJHYFJIIKB-HUUCEWRRSA-N 485.408 2.239 30 10 JEEE C=C(C)COCCn1c(N2CCO[C@@H](c3cnn(C)c3)C2)nnc1[C@]1(OC(C)C)CCOC1 1722538652 SFHOZUVRPSFYDS-OFNKIYASSA-N 460.579 2.223 30 10 JEEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCOC[C@H]1OC 1722640170 JRLSGYJXZRMMPA-FGTMMUONSA-N 451.568 2.260 30 10 JEEE C=CCOc1ccccc1Cn1c(COCC)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1722708501 WGVPZQYSDRCNMT-DEOSSOPVSA-N 468.558 2.242 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1 1722726365 CYVDVLMDITZSBV-UGKGYDQZSA-N 464.563 2.358 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2C[C@@H]2CCCS(=O)(=O)C2)c1 1740563670 WWLMSCWKWKRHOM-SFHVURJKSA-N 466.567 2.154 30 10 JEEE C#CCN(c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCCC)[C@@H]1CCS(=O)(=O)C1 1740618438 HNNYEMXELLZXOM-GOSISDBHSA-N 492.671 2.364 30 10 JEEE C#CCN(c1nnc(-c2ccccc2)n1CC1(C(=O)N(C)C)CCCC1)[C@@H]1CCS(=O)(=O)C1 1740620551 QIBNPMJRXPQKCY-HXUWFJFHSA-N 469.611 2.220 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCCCN1CCCC)[C@H]1CCS(=O)(=O)C1 1740626533 LMMMWNVXHIKCPD-HKBOAZHASA-N 463.648 2.063 30 10 JEEE C#CCN(c1nnc(COc2ccccc2OC)n1C[C@@H](C)SC)[C@@H]1CCS(=O)(=O)C1 1740627564 IOZHDTBUYPNDNL-IAGOWNOFSA-N 464.613 2.244 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1C[C@H]1CCN(CC)C1)[C@H]1CCS(=O)(=O)C1 1740628122 NOWQBJKYQMNGNH-VXKWHMMOSA-N 485.654 2.442 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@]1(OC)CCOC1 1740647890 YQKRRHMGYPDEAU-XMMPIXPASA-N 454.527 2.239 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCN(C)c2ccccc2)CC1 1740703571 XOUXIGJJELQWKB-SANMLTNESA-N 480.613 2.032 30 10 JEEE C=C(Br)Cn1c(COCC)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1740748942 MPOISCNYNHAPSF-MRXNPFEDSA-N 469.428 2.293 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCOC2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1740762007 QMWMTJXNFCAFQG-GGPKGHCWSA-N 467.636 2.014 30 10 JEEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1740796327 VFXBIGUHDYJDCS-HYBUGGRVSA-N 498.676 2.111 30 10 JEEE C=C(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C1CCC(NC(C)=O)CC1)c1ccccc1 1740796419 AQOUPPISHWWEFU-MDMXATFFSA-N 474.631 2.485 30 10 JEEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1740845171 HJQUFAHPMPRZEJ-HNNXBMFYSA-N 460.941 2.487 30 10 JEEE C=CCCOCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](OC)[C@H](OC)C1 1740888668 VACBHNJGTVMMIR-GBESFXJTSA-N 481.594 2.029 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CN2CCCC2=O)n1C[C@H]1CCCS(=O)(=O)C1 1740913202 AJMHUZQUJPFRGU-HXUWFJFHSA-N 487.626 2.427 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1740956958 WVIQCVWJZOFPHD-INIZCTEOSA-N 481.022 2.009 30 10 JEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1741003512 WCRFCOAWACQRDP-SFHVURJKSA-N 480.660 2.026 30 10 JEEE C[C@@H]1SCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(C(N)=O)CCOCC2)[C@@H]1C 1743396191 AABUDYXYQAUHLI-SJORKVTESA-N 470.599 2.341 30 10 JEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CCC(=O)N(CC)CC)CC1 1748752378 VYUZYBMUXVFSMQ-HXUWFJFHSA-N 463.648 2.459 30 10 JEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1748784209 FMUQJGLIAJOTNY-QZTJIDSGSA-N 473.647 2.195 30 10 JEEE C#CCN(c1nnc(-c2ccc(OCC)c(OC)c2)n1CC[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1748809604 OKCBMHOLHNIQHR-ICSRJNTNSA-N 488.610 2.406 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCNC(=O)C(C)C 1748886582 IDRLGPRXLVKHAH-UHFFFAOYSA-N 473.581 2.471 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCn2nc(C)nc2C1 1749019615 AVCJCVCVMJQBMP-UHFFFAOYSA-N 450.572 2.434 30 10 JEEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1749043501 HXADQRHBGDHUHU-MRXNPFEDSA-N 476.628 2.351 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2cccc(C)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1749136007 KGMVGBBVBKMZFX-PXDATVDWSA-N 482.629 2.357 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(c2ccc(OC)cc2)CC1 1749229108 HBJUFOYDEXCHSS-FQEVSTJZSA-N 489.642 2.498 30 10 JEEE C=C1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCN2CCN(C(C)=O)CC2)CC1 1749317563 SHOIBKAKPBNPRS-OYRHEFFESA-N 487.649 2.369 30 10 JEEE C=CCN(c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCS(=O)(=O)NC)C1CC1 1749517260 MESKWAJVZJQKAF-INIZCTEOSA-N 468.624 2.097 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1749680700 OEWLLTFMWAQXTF-SFHVURJKSA-N 455.559 2.299 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2nc(C)c(C)s2)C1 1749711608 AYMXUWVIPAGKOL-IRXDYDNUSA-N 451.618 2.278 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCSCc1ccccc1 1760117138 MWPZAMCSZJWQPU-PKOBYXMFSA-N 463.629 2.002 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCCO3)n2CC(=O)NCC2CC2)c1 1760128819 TTZOEXGVARGYAM-FQEVSTJZSA-N 450.543 2.102 30 10 JEEE C#CCCCCn1c(CCOc2ccccc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1760141118 JZAYCNNJEKXONR-HSZRJFAPSA-N 464.614 2.446 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1CCC(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 1760181187 QRURWFITWHVRAC-ZWKOTPCHSA-N 491.589 2.099 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(OCCN2CCCC2)cc1 1760192789 NTHNNIXYRGYKQU-UHFFFAOYSA-N 460.582 2.110 30 10 JEEE C#CCN1CCN(c2nnc(CC(C)(C)C)n2Cc2cccc(OCC(=O)N(C)C)c2)CC1 1760260760 BCHOOZBIZYENOK-UHFFFAOYSA-N 452.603 2.137 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CCc2cccc(C(=O)N(C)C)c2)CC1 1760267890 DTCBVLYKYAQKJJ-UHFFFAOYSA-N 485.592 2.250 30 10 JEEE C=C(C)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1760344164 BKFURZKUDMSGAN-UHFFFAOYSA-N 484.601 2.492 30 10 JEEE C=C(C)COCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1760351793 MCUBJKWBDGKCPS-FQEVSTJZSA-N 484.557 2.028 30 10 JEEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCN2[C@@H](C)CC[C@H]2C)CC1 1760440262 FSDXSEWLEBAOIX-HBMCJLEFSA-N 464.680 2.141 30 10 JEEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1760559771 KSQFEVPFOAMMHM-DLBZAZTESA-N 453.638 2.154 30 10 JEEE CC(C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCCCC2)CC1 1761262862 FHWMUPOMKPHEQH-UHFFFAOYSA-N 465.602 2.159 30 10 JEEE CCOC(=O)N[C@H](CC(C)C)Cn1c(C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1765715349 HXVFOFJSBDLQJP-SJLPKXTDSA-N 455.567 2.124 30 10 JEEE CN(Cc1ncc(Cl)n1C)c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(C(N)=O)nc1 1767167403 GVHAWEMDTZPASA-UHFFFAOYSA-N 461.917 2.382 30 10 JEEE CN(Cc1ncnn1CC(F)F)c1nnc(-c2ccc(C#N)cc2)n1CCCN1CCOCC1 1767175535 HMDDCSAHXNOKPN-UHFFFAOYSA-N 471.516 2.032 30 10 JEEE COc1ccc(OCc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H](C)CN2CCOCC2)cc1 1768732961 AYTGBYLPYPSHQQ-JPYJTQIMSA-N 458.538 2.276 30 10 JEEE CS(=O)(=O)N1CCC[C@@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@](F)(C#N)C1 1771360569 BCNSJWCKWTZIIM-UZLBHIALSA-N 482.969 2.376 30 10 JEEE COc1ccc2nc(N3CCN(C(=O)CCN4C(=O)c5ccccc5C4=O)CC3)c(C#N)cc2c1 1857959521 DGGFTXMMXSRXEW-UHFFFAOYSA-N 469.501 2.450 30 10 JEEE N#Cc1cccc(NC(=O)c2nc(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)c3ccccn23)c1 1858241753 CHEHCXUVURZQTC-UHFFFAOYSA-N 488.529 2.078 30 10 JEEE C[C@@H]1CCc2c(sc(NC(=O)COc3cccnc3NC(=O)N=c3nc[nH][nH]3)c2C#N)C1 1858838464 NVRSNDRPDFNTEE-LLVKDONJSA-N 452.500 2.341 30 10 JEEE Cn1c([C@H](C#N)C(=O)CN2CCN(c3nnc(-c4ccccc4)c(O)n3)CC2)nc2ccccc21 1859428032 GVVJGMNSFUFROF-GOSISDBHSA-N 468.521 2.129 30 10 JEEE N#Cc1cccc(C(=O)Nc2nc(N3CCN(CCO)CC3)nn2-c2ccc(Cl)cc2)c1 1870016065 SQSFQWLGTNDKPD-UHFFFAOYSA-N 451.918 2.159 30 10 JEEE CN1CCN(CC#CCOC2CCN(S(=O)(=O)c3cccc(OC(F)(F)F)c3)CC2)CC1 1889708336 VCIFFLFMIFJTIS-UHFFFAOYSA-N 475.533 2.006 30 10 JEEE CC(C)N1C(=O)CS[C@H](C(=O)N2CCC[C@@H](NC(=O)C3CC3)C2)[C@@H]1c1ccc(C#N)cc1 1890239888 XLXJNITZTPTYOW-HJNYFJLDSA-N 454.596 2.469 30 10 JEEE N#C[C@H]1CN(S(=O)(=O)c2cc(C(=O)O)oc2Br)CCN1Cc1ccccc1 1914777665 AOJAOEIMJLFKLT-ZDUSSCGKSA-N 454.302 2.139 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc(Nc2ccc(N3CCN(C4COC4)CC3(C)C)cn2)c1=O 2069575036 OKDQUOLGPPJPJY-UHFFFAOYSA-N 495.433 2.123 30 10 JEEE CC[C@@H](C#N)N1CCN(C(=O)[C@H](CC(=O)OCc2ccccc2)NC(=O)OC(C)(C)C)CC1 2124624202 SYQJCJWAJYDOSZ-PMACEKPBSA-N 458.559 2.460 30 10 JEEE CC(C)(C)OC(=O)N1CC(n2cc(C(=O)N3C[C@@H]4[C@H](C3)[C@@H]4B3OC(C)(C)C(C)(C)O3)nn2)C1 2180986540 DGANLNDHRSRGRP-SCAQPMJSSA-N 459.356 2.234 30 10 JEEE CC(C)(C)OC(=O)N[C@]1(C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)c2)CCS(=O)(=O)C1 2180991743 QOKVAXRDMYLSET-JOCHJYFZSA-N 480.392 2.006 30 10 JEEE CN(CCN(C)C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)C(=O)OCc1ccccc1 2247909761 FCXOGLKXIBYVTB-UHFFFAOYSA-N 456.352 2.060 30 10 JEEE CSC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2248420637 YBGZUVAYHSDJSF-CYBMUJFWSA-N 457.427 2.315 30 10 JEEE C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)s2)CO1 2256620358 HLGABINLSVAGJI-OLZOCXBDSA-N 453.370 2.405 30 10 JEEE C[C@H]1C[C@@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)CCN1C(=O)OC(C)(C)C 2256627552 WFHUQRAAJGIAGW-STQMWFEESA-N 452.386 2.233 30 10 JEEE CC(C)(C)OC(=O)N1CC(CCO)(CNC(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2266994877 ABRRXMPCSCKYRN-UHFFFAOYSA-N 466.409 2.397 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)[C@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)CCO1 2267157938 DKYYBZQHSHKOIX-DZGCQCFKSA-N 467.397 2.197 30 10 JEEE CN(C(=O)c1sncc1B1OC(C)(C)C(C)(C)O1)[C@@]1(CNC(=O)OC(C)(C)C)CCOC1 2267163457 HIAZWVUBMKIDTE-OAQYLSRUSA-N 467.397 2.198 30 10 JEEE CN(C(=O)c1nn(C)c(Cl)c1B1OC(C)(C)C(C)(C)O1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2267185452 VMDWIVAOXZLPGH-ZDUSSCGKSA-N 468.791 2.454 30 10 JEEE C[C@@H]1CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)CC[C@@H]1NC(=O)C(F)(F)F 2267366671 JDYRGIPIOOATSP-YPMHNXCESA-N 482.355 2.125 30 10 JEEE CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1c(C)nsc1B1OC(C)(C)C(C)(C)O1 2267529545 MRVNDOFNDXHYTK-KGLIPLIRSA-N 467.397 2.115 30 10 JEEE C[C@@H]1CC[C@@H](CNC(=O)C(F)(F)F)N(C(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)C1 2267544567 WKNAXEJHFGTHRG-NEPJUHHUSA-N 461.315 2.362 30 10 JEEE CO[C@@H]1[C@H](OC)CN(C(=O)OC(C)(C)C)[C@@H]1CNC(=O)[C@@H]1C[C@H]1B1OC(C)(C)C(C)(C)O1 2267563025 KBBOAHXUADLZTA-HHARLNAUSA-N 454.373 2.234 30 10 JEEE CC(C)(C)OC(=O)NCC(C)(C)OCCNC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2278394909 VNAPHPBBGQGISV-UHFFFAOYSA-N 469.413 2.492 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C2(CCC2)C1 2282023973 UYKIXHXQNVOPHC-UHFFFAOYSA-N 458.368 2.391 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCOC[C@@H]1OCc1ccccc1 2282057930 NETJMOXJQUZVNJ-MOPGFXCFSA-N 455.364 2.132 30 10 JEEE C[C@@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2CN1C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2282188098 QYFZMQNHLYHIBY-PMPSAXMXSA-N 458.368 2.103 30 10 JEEE CCn1cc(C(=O)N2C[C@@H](F)C[C@@H]2CNC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2282527971 KXKSHKWYUOSDDT-LSDHHAIUSA-N 466.363 2.280 30 10 JEEE CCn1cc(C(=O)N2CCC3(CN(C(=O)OC(C)(C)C)C3)C2)nc1B1OC(C)(C)C(C)(C)O1 2282545085 VMXYQMFCWDHLDU-UHFFFAOYSA-N 460.384 2.285 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@H]1C 2282581419 HRKOVCHIAWSGDG-HZPDHXFCSA-N 462.400 2.498 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 2282582167 SIQFWAIQWMSKFV-CVEARBPZSA-N 462.400 2.451 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@H]2NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(O)cc1O 2282976145 QVELFTOJQVAVLU-MRAWALMUSA-N 460.336 2.135 30 10 JEEE CO[C@@H]1C[C@@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)N(C(=O)OC(C)(C)C)C1 2283948397 MKAYPGJWWZPRLZ-ZBFHGGJFSA-N 465.331 2.483 30 10 JEEE CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccccc1B1OC(C)(C)C(C)(C)O1 2283966862 XQEPTPSYZOTKGA-KRWDZBQOSA-N 462.352 2.058 30 10 JEEE CN(Cc1sccc1B1OC(C)(C)C(C)(C)O1)C(=O)[C@@H](CCC(N)=O)NC(=O)OC(C)(C)C 2284041013 PUGUGEHQVINZLH-OAHLLOKOSA-N 481.424 2.165 30 10 JEEE 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 2312598507 YMGOCOYIDLYOCQ-FLXSYLCISA-N 453.580 2.436 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CC[C@H]2NC(=O)OCc2ccccc2)n1C 2315516182 TYIWMRCCDJZGJK-ZWKOTPCHSA-N 468.363 2.215 30 10 JEEE CC1(C)OB(c2ccccc2S(=O)(=O)N[C@@H](CCO)COCc2ccccc2)OC1(C)C 2343586949 XEJAJQWFEYBTNF-IBGZPJMESA-N 461.389 2.232 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)O[C@@H](C)C(=O)N3CCN(c4ccccc4O)CC3)cc2C1=O 22067467 QPAZOAAWKJEJHR-INIZCTEOSA-N 463.490 2.068 30 10 JEEE C=CCN1C(=O)N[C@@H](c2ccc(C)cc2)C2=C1CN(CC(=O)N1CCC(C(=O)OCC)CC1)C2=O 35969759 RFQNMPFKIIVTRY-QHCPKHFHSA-N 480.565 2.145 30 10 JEEE COc1ccc(C(=O)N=C2S[C@@H]3CS(=O)(=O)C[C@H]3N2Cc2ccc3c(c2)OCO3)cc1 254698809 DCZYNIODNOFXNH-VQIMIIECSA-N 460.533 2.335 30 10 JEEE C=CCNC(=O)Cn1c(=CC(=O)C(C)(C)C)sc(=Cc2ccccc2OCC2CC2)c1=O 518013856 YRVOTMLEZCVVBG-UHFFFAOYSA-N 454.592 2.225 30 10 JEEE CC1CCC(C#N)(N(C)C(=O)[C@H](C)OC(=O)C2=NN(c3ccc(F)cc3)[C@@H](C(N)=O)C2)CC1 913202701 AIVKSSSUZHJJPL-OTYOAJLXSA-N 457.506 2.108 30 10 JEEE CCNS(=O)(=O)c1ccc(NC(=O)CSc2n[nH]c(NN=Cc3cnn(C(C)C)c3)n2)cc1 1083915660 GJMPUUYDDAPDNW-UHFFFAOYSA-N 491.603 2.057 30 10 JEEE C=CCn1c(S)nc2cc(C(=O)NCC(=O)Nc3ccc4c(c3)OCCO4)ccc2c1=O 1150550845 NGALUBDAQSCUBR-UHFFFAOYSA-N 452.492 2.011 30 10 JEEE C#CCN(c1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1nncn1C)[C@H]1CCS(=O)(=O)C1 1286382072 IVDQRNMWGBCYOY-IBGZPJMESA-N 467.599 2.046 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCOc2c(C)cccc2C)CC1 1286473587 UJAWBGCVGOSBGD-RUZDIDTESA-N 453.587 2.381 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)c2ccc(F)cc2)CC1 1286485070 BYIXVBMWISGRJF-SFHVURJKSA-N 466.561 2.423 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](Cc2ccccc2)OC)CC1 1286493280 NATPQDNSNBEUJS-PKTZIBPZSA-N 465.598 2.396 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)N1CCCCC1 1286582116 RGSSPMOKIARAMC-IBGZPJMESA-N 468.668 2.278 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)c1nccs1 1286628442 ANXFBIUKBGLLAT-JSGCOSHPSA-N 461.013 2.060 30 10 JEEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1286687955 NYBXJEXGIGLNGL-LJQANCHMSA-N 455.588 2.130 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 1286822916 PFXMYNBDZGGJMF-UHFFFAOYSA-N 463.648 2.306 30 10 JEEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN([C@H](C)c2nc(CC)no2)CC1 1286825571 SSBJFWRELNFPDO-QGZVFWFLSA-N 474.635 2.262 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCCn1cccn1 1287052555 AGMYPFZMSQZFHJ-ROUUACIJSA-N 456.551 2.366 30 10 JEEE CCc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1C[C@H](N1CCOCC1)C(F)(F)F 1292614316 HTYPDRXULPQCKH-QUCCMNQESA-N 494.518 2.411 30 10 JEEE CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(OC)nc2)CC1 1295482244 GUTHGOODYRHIFR-UHFFFAOYSA-N 488.596 2.259 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](C)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1300489158 JSOQDTMOCQFTHS-AEFFLSMTSA-N 465.023 2.351 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCc1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1300490024 XPRHPUKZVOUWJH-IBGZPJMESA-N 469.567 2.428 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCN1CCCCC1=O 1300574914 PEIVCOHHKKLCOP-UHFFFAOYSA-N 481.626 2.104 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(Cl)nc2)n1CCS(=O)(=O)NC 1300644220 YPISPWMMVYKKIX-UHFFFAOYSA-N 462.938 2.322 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC(=O)NC2CCCCC2)CC1 1300710840 NIABTXHCABANDI-TYKWCNGQSA-N 499.660 2.253 30 10 JEEE C=C(C)Cn1c(Cc2ccccn2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1300957201 PHOSNXLHPPVNTN-SFTDATJTSA-N 451.619 2.467 30 10 JEEE C=C(Cl)Cn1c(N2CCCN(Cc3noc(C)n3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1301061947 ZNWFIIUGYFADSY-OAQYLSRUSA-N 465.986 2.475 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCN(S(C)(=O)=O)C1 1301311053 XNEGAWAICXAAID-IRXDYDNUSA-N 468.624 2.254 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1NC(=O)CC1(C)C 1301357087 IYBLVNHBZDJUEI-GOEBONIOSA-N 466.633 2.057 30 10 JEEE C=CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1301458681 FBDXLTPYIKAYMS-IBGZPJMESA-N 484.605 2.368 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 1301497482 XZMLKBLIHBOCIQ-KRWDZBQOSA-N 452.519 2.035 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1301577150 KREPMHFZLFQISM-GOSISDBHSA-N 456.572 2.282 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C[C@H]2CCCO2)CC1 1301596169 JNKKAWKAKQORKX-NJDAHSKKSA-N 495.690 2.099 30 10 JEEE CCS(=O)(=O)N(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](C(F)(F)F)C1 1314541158 HLUPPDGZFSLYTB-KRWDZBQOSA-N 486.520 2.256 30 10 JEEE CN(Cc1ccc(C#N)cc1)c1nnc(C(=O)N2CCCC2)n1CC1(N(C)C)CCOCC1 1314728830 CXSFPLNPGYNCQF-UHFFFAOYSA-N 451.575 2.133 30 10 JEEE CS(=O)(=O)[C@H]1CCCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCCC2)C1 1316335710 DITYPGPFYJNKAP-FQEVSTJZSA-N 473.599 2.437 30 10 JEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(S(=O)(=O)CC)CC1 1358922731 PAOXCIJIMJSLNL-UHFFFAOYSA-N 493.655 2.012 30 10 JEEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1358930368 UFSQLVAOUQSUMS-IMWIBFENSA-N 475.590 2.384 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccc(C)cc2)n1C[C@@]1(N2CCOCC2)CCSC1 1358983002 RRTDEECDKSSFME-VWLOTQADSA-N 465.623 2.446 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OCCCC)c(OC)c3)n2Cc2nncn2C)CC1 1359032801 DAZMWUVWYFNFKO-UHFFFAOYSA-N 464.574 2.065 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCOc2ccccc2)CC1 1359035965 JQANNYCBUOJUNK-JOCHJYFZSA-N 496.612 2.421 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3CC)n2C[C@@H]2CCOC[C@@H]2OC)CC1 1359039160 YMRPULRCVAFTED-GMAHTHKFSA-N 453.587 2.226 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H](C)N(CC)CC)CC1 1359046385 PPNNTQNWQYSMPY-QGZVFWFLSA-N 457.648 2.330 30 10 JEEE C#CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC(NS(C)(=O)=O)CC1 1359052208 YBWGXHZMHCWPKL-UHFFFAOYSA-N 484.047 2.492 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2OC)n1CCC(=O)N1CCOCC1 1359074274 XGQYQEXZVYXUAU-XMMPIXPASA-N 453.543 2.107 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](CNC(=O)c2ccccc2)C1 1359131891 IFHSUAXXEDEIHQ-FPOVZHCZSA-N 466.586 2.468 30 10 JEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cc3c(cc2OC)C[C@H](C)O3)CC1 1359159122 NRNAMFNVIRDKCM-JKSUJKDBSA-N 461.588 2.425 30 10 JEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](O)(c2ccccc2F)C1 1359227994 QWDLFQDHYIAGLE-VGSWGCGISA-N 464.563 2.010 30 10 JEEE CC(=O)N1CCC[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N(CCS(C)(=O)=O)C2CC2)C1 1359368230 FJUZXVJSTKXFCZ-LJQANCHMSA-N 470.599 2.089 30 10 JEEE CC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCCO[C@H](C)C2)C1 1359417882 HCPPNDHQWRLYKA-XXBNENTESA-N 465.602 2.423 30 10 JEEE C#CCCN1CCC(NC(=O)c2ccc(Cl)c(S(=O)(=O)NC[C@@H]3CCCO3)c2)CC1 1465396910 UBONPWPMVQKQJX-SFHVURJKSA-N 453.992 2.015 30 10 JEEE COC(=O)c1cnc(N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1C(F)(F)F 1472651657 BGVBPYXIPAVFSR-UHFFFAOYSA-N 454.430 2.270 30 10 JEEE C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N[C@H](Cc2ccccc2)CN2CCOCC2)cc1 1476412673 GCRCHTOIFRGILM-GHTZIAJQSA-N 456.568 2.437 30 10 JEEE CCC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CCO1 1500240319 COQGZGZJCSRXCG-AZUAARDMSA-N 458.588 2.104 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CC[C@@](C)(CC)O1)[C@H]1CCS(=O)(=O)C1 1507624615 CLGAWJPLZUXPPL-JVODISISSA-N 494.658 2.293 30 10 JEEE C#CCN(c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCCNC(C)=O)[C@@H]1CCS(=O)(=O)C1 1507625782 AVBPYCCAZXBRBO-VQIMIIECSA-N 489.667 2.284 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCCO[C@@H]1C(C)C 1507708120 HTXUHQQAEWMUFZ-RBBKRZOGSA-N 464.574 2.458 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CC(=O)N(C)C2CCCCC2)CC1 1507738328 NIRYDWPLKLOECY-UHFFFAOYSA-N 477.613 2.405 30 10 JEEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 1507750560 ZAOVSKDFLQAVQZ-PMACEKPBSA-N 469.659 2.457 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)c(C)c2)n1CCC[C@@H]1NC(=O)NC1=O 1507770257 RPPDAYFNNVFPQQ-YADARESESA-N 450.543 2.454 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)C[C@H](C)C(=O)NC 1507798288 GWSUJMSWRGSKHK-FTRWYGJKSA-N 465.558 2.393 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cc(OC)c(OC)cc1C 1507831755 DIZXVCUAUADIPU-HXUWFJFHSA-N 479.603 2.149 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1Cc1ccc(C)n(C)c1=O 1508040156 TZMXZLBZONODOH-OAQYLSRUSA-N 451.527 2.485 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1508133434 JFQAHPAGDLGQHA-UXHICEINSA-N 457.600 2.356 30 10 JEEE Cc1nc(N2CCOCC2)sc1-c1nnc(N(C)C[C@@H](C)C#N)n1C[C@@H](C1CC1)N(C)C 1510424320 AGODQQTVVZAZQK-YJBOKZPZSA-N 458.636 2.483 30 10 JEEE CS(=O)(=O)c1cccc(-c2nnc(N(CCC#N)CC3CC3)n2C[C@H]2CCCS(=O)(=O)C2)c1 1519505423 AGZCMCUABRIZJQ-GOSISDBHSA-N 491.639 2.303 30 10 JEEE C=CCOCCCC(=O)N1CCN(CCS(=O)(=O)c2ccc(Br)cc2)CC1 1521975629 MHTAPKSQRNVIOL-UHFFFAOYSA-N 459.406 2.350 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC1(CCOCC)CC1)[C@H]1CCS(=O)(=O)C1 1539219478 CVLRYNDEMNCRFG-MOPGFXCFSA-N 450.605 2.006 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(OCC)c(OC)c2)n1CC1(C(N)=O)CCOCC1 1539319836 IEWVJBWMUBGHII-UHFFFAOYSA-N 465.554 2.097 30 10 JEEE C#CCSCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1Nc1ccn(C)n1 1539524679 MVMIOSDHIJQQNK-UHFFFAOYSA-N 450.616 2.486 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 1540902303 GLWNBMCEVMAXRY-IBGZPJMESA-N 482.628 2.160 30 10 JEEE C#CCn1ccc(CN(CC)C(=O)C2CCN(S(=O)(=O)c3cccc(C(C)=O)c3)CC2)n1 1543692231 NKAISOKJJYWDRM-UHFFFAOYSA-N 456.568 2.168 30 10 JEEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1547313018 HOIBKHZIAITAFX-UHFFFAOYSA-N 478.645 2.290 30 10 JEEE COc1ccc(C[C@@](C)(CO)NC(=O)CCc2c(C)nc3c(C#N)cnn3c2C)cc1OC 1558239404 HLFIXGIOFKGMFR-DEOSSOPVSA-N 451.527 2.278 30 10 JEEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[C@H]1C[C@H](C)N(Cc2ccccc2)C1 1587909686 QNBIIZYFPDNSOO-ZJOUEHCJSA-N 458.632 2.258 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Cl)n1CCC(=O)NCCC)[C@H]1CCS(=O)(=O)C1 1588044947 DGHDDPBTOGXUMW-INIZCTEOSA-N 463.991 2.142 30 10 JEEE C#CCN(c1nnc(C2CCCC2)n1CCCNC(=O)c1occc1C)[C@@H]1CCS(=O)(=O)C1 1588053944 JAJDOWLTFDWYHZ-LJQANCHMSA-N 473.599 2.284 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(OC)ccc2Br)n1C[C@@H]1CC[C@H](CO)O1 1588099185 JCVKDNOHCBFDTC-DLBZAZTESA-N 459.344 2.329 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2Cc2ccc(NC(C)=O)nc2)CC1 1588871692 NEUASUIMOHXBJE-UHFFFAOYSA-N 475.553 2.023 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCOc2ncccc2F)CC1 1588899051 LDKIGDBAYXOUML-UHFFFAOYSA-N 493.499 2.432 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2C[C@@H](C)N(C)C2CC2)CC1 1588913338 HRWKNSKNMMNXKI-GOSISDBHSA-N 450.587 2.402 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCCNc2ccccn2)CC1 1588929916 IYSUKUNVJYXBOP-FQEVSTJZSA-N 451.575 2.035 30 10 JEEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 1589288229 HZQIJMRZLNUPRX-IBGZPJMESA-N 489.418 2.278 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N(C)C[C@@H]1CCCOC1 1595765528 BUYAQYIEXNLSJQ-AWEZNQCLSA-N 472.409 2.499 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N(C)Cc1nc(O)c2sccc2n1 1595784374 DYTDUNMVWACBFE-UHFFFAOYSA-N 471.568 2.288 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCC[C@@H](CNC(C)=O)C1 1595784499 GZVOBHCLRONRRK-IBGZPJMESA-N 484.626 2.390 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H](CNC(C)=O)C1 1595804756 GBTWFBUZJMNLDX-KRWDZBQOSA-N 481.569 2.100 30 10 JEEE C#CCOc1cc(F)ccc1NC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O 1620838096 DGJXRMXTHKCYKN-MRXNPFEDSA-N 458.467 2.414 30 10 JEEE C#Cc1cccc(NC(=O)NC(=O)CN2CCc3ccc(S(=O)(=O)N4CCCC4)cc32)c1 1653590449 TZGIDVKCGDSEIO-UHFFFAOYSA-N 452.536 2.163 30 10 JEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 1689893164 VYSQLEGAOTXFGI-IBGZPJMESA-N 473.574 2.085 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC(=C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1689997054 UWZHRGJJLBZTFP-QFIPXVFZSA-N 464.595 2.480 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCN(C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1689998273 HOQIRJPMPODVNX-VAMGGRTRSA-N 465.664 2.164 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2C[C@@H](C)O[C@H](C)C2)CC1 1690136255 CHSWCIHXTLWIIA-QZTJIDSGSA-N 479.585 2.095 30 10 JEEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(NS(=O)(=O)CC)CC1 1690185629 BNFULQCSRHQLPW-RTBURBONSA-N 483.704 2.471 30 10 JEEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 1690188463 JLJLOFIQBRGXDJ-NJDAHSKKSA-N 474.675 2.313 30 10 JEEE C=CC1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H]2CC(=O)N(CCOC)C2)CC1 1690398779 GOIRSOCGWIOVLH-GBXCKJPGSA-N 461.607 2.216 30 10 JEEE C=CCN(c1nnc(-c2cc(OC)ccc2Br)n1C[C@]1(O)CCS(=O)(=O)C1)C1CC1 1690538132 AREIRSLYTRJFJV-HXUWFJFHSA-N 497.415 2.421 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 1690667074 PLNLOBYFEMZCQC-UXHICEINSA-N 497.619 2.203 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CCN(C[C@H]2CCOC2)CC1 1690667249 WTODIHJYZVHIIU-QGZVFWFLSA-N 489.418 2.168 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 1690668973 PCABNAFHZWOLRW-CRAIPNDOSA-N 455.563 2.300 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@](C)(CC)C1 1690723500 UBGPOPCLBDCQPP-HSZRJFAPSA-N 470.599 2.419 30 10 JEEE C#CCN(c1nnc(C2CCCC2)n1CCC(=O)NC1CCCCC1)[C@H]1CCS(=O)(=O)C1 1705564435 CBYZSMFWKBXOJW-FQEVSTJZSA-N 461.632 2.401 30 10 JEEE C#CCN(c1nnc(CC)n1C[C@@H](c1c(F)cccc1F)N(C)C)[C@H]1CCS(=O)(=O)C1 1705570589 OWFHCVUYTVAAFY-YJBOKZPZSA-N 451.543 2.048 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CCC(=O)NC(C)C)CC1 1705637280 PNSMTXTUHRELBG-UHFFFAOYSA-N 454.575 2.022 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CC(C)(C)CN2CCCC2)CC1 1705648365 RZRXLIAMFYSDRD-OAQYLSRUSA-N 456.635 2.260 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@@](C)(O)c2ccc(F)cc2)CC1 1705649367 UZJSSGHVYSSAAA-RUZDIDTESA-N 462.529 2.353 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(OC)c(OC)c(OC)c1 1705674423 ITFGFAPPYIOYHO-GAJHUEQPSA-N 474.583 2.246 30 10 JEEE C=CCn1c(-c2cc(F)ccc2Br)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1705886947 XBXSUXARBAVIOB-UHFFFAOYSA-N 479.354 2.206 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)ccc2C(C)C)nnc1N1C[C@@H]2OCO[C@@H]2C1 1705938113 NCJSKCYEUVGWCM-OYRHEFFESA-N 476.599 2.451 30 10 JEEE C[C@@H](CN1CCOCC1)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@H](C#N)C1 1706824281 CUBKJOHMNWSNCX-FXAWDEMLSA-N 460.966 2.208 30 10 JEEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2CCN(C(C)=O)CC2)C[C@H]1C 1712486220 GHOLMINCDDUIKA-LJQANCHMSA-N 465.602 2.232 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1CCOC[C@H]1OC 1722281204 UEIGGCKVZOBARA-CGTJXYLNSA-N 460.604 2.056 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCCO3)n2C[C@H]2CCCS(=O)(=O)C2)c1 1722310388 VINRAVWRORHZDS-CTNGQTDRSA-N 485.610 2.401 30 10 JEEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](Cn2cccn2)C1 1722333247 UGKYWBUNZGDGML-VQTJNVASSA-N 485.589 2.102 30 10 JEEE C#CCN(C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1722347984 TZCZOXAEVXWCJE-RTBURBONSA-N 473.599 2.236 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccc(C)cc1OCCOC)[C@@H]1CCS(=O)(=O)C1 1722369898 IKXGHEOCEOHJPX-NHCUHLMSSA-N 488.610 2.138 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2ccc(F)cc2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1722383079 HFQKHDIODAAMGX-QFIPXVFZSA-N 450.562 2.024 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1CCn1cc([C@H]2CCOC2)cn1 1722386703 IGGLQNHUKARUFL-NRFANRHFSA-N 455.522 2.202 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1722440528 AYWVNLXELORJSC-YPAWHYETSA-N 456.635 2.210 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCC[C@H]2CCCCO2)CC1 1722443426 IPCZJWVZIMRUTP-BWKNWUBXSA-N 473.618 2.245 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H]2CCOC[C@@H]2OC)CC1 1722449624 WHAOWAHCLUGCIJ-UNMCSNQZSA-N 469.561 2.025 30 10 JEEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC2(CCC2)C[C@H]1CC 1722462230 UPFNTPZEIPUPHB-QZTJIDSGSA-N 467.661 2.136 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCc2c(ccnc2N(C)C)C1 1722495677 YHYWOFNTPATXLE-UYAOXDASSA-N 453.591 2.421 30 10 JEEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(CC(N)=O)CC1 1722530674 HGMHBUIBZGVEFK-UHFFFAOYSA-N 461.588 2.033 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1722536981 JTEBXMOYAYFNCZ-MOPGFXCFSA-N 465.595 2.495 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C)cc2)CC1 1722537350 MYOPVNMHSNICBD-HXUWFJFHSA-N 459.616 2.408 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccn(C)n1 1722672852 AROZIGCACSQMCG-HXUWFJFHSA-N 454.600 2.392 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(C(=O)NCCC)CC1 1722702318 HOFGYUISWGYMDF-UYAOXDASSA-N 460.623 2.242 30 10 JEEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N2CCOCC2)C[C@@H](C(F)(F)F)O1 1726670556 FRKQRCOYCQUCMW-YJBOKZPZSA-N 478.475 2.222 30 10 JEEE CN(C)C(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1729309088 HSSGULWGWSMEBC-UHFFFAOYSA-N 464.961 2.204 30 10 JEEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCc1nnc(C)s1 1740613002 PVROTIKBHLROKO-UHFFFAOYSA-N 450.616 2.115 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@@H]1CCO[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1740618786 CDNRKHUYUWQDDE-NSHGMRRFSA-N 458.584 2.396 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2CCCN(C(C)C)C2)CC1 1740697371 BQYJGCWIIBXXJN-NRFANRHFSA-N 484.670 2.224 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCCN2CC)CC1 1740703643 ZRGIUIURISEXSN-NRFANRHFSA-N 465.558 2.303 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCO[C@@H](C)C2)CC1 1740708155 DWTQIJSHMNZYMY-ROUUACIJSA-N 484.626 2.051 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2nnc(C(C)(C)C)s2)CC1 1740708626 WSAFSEPSFURXQY-UHFFFAOYSA-N 495.657 2.303 30 10 JEEE C=C(Br)Cn1c([C@H]2CCOC2)nnc1N(C)CCNS(=O)(=O)c1ccc(C)cc1 1740743839 GPLIEZLOUZNROI-INIZCTEOSA-N 484.420 2.414 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCC2(CC1)COC(=O)N2 1740751424 KCVLQLIWRBBCNL-SJLPKXTDSA-N 460.579 2.257 30 10 JEEE C=C(C)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1740783606 MNNYLQGHLUSPLH-IBGZPJMESA-N 452.603 2.437 30 10 JEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](c2cccs2)N2CCOCC2)CC1 1740818884 XSYPHLZMPPXYMQ-ROUUACIJSA-N 480.660 2.180 30 10 JEEE C=CCCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCS(=O)(=O)CC1 1740858482 RKMBETKUNADYJI-UHFFFAOYSA-N 466.633 2.138 30 10 JEEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)N2CCCC2)CC1 1740858649 WSZBANFOEFRZJC-QGZVFWFLSA-N 452.625 2.083 30 10 JEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nc(C)c(C)s2)CC1 1740888942 XHZBKQKVWJTVGB-SFHVURJKSA-N 480.660 2.173 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1740954442 MRDYJLRZOMBDSV-UHFFFAOYSA-N 481.645 2.191 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](c2ccc(OC(F)F)cc2)C1 1740960024 JFSOJCPKTMTCDL-AEFFLSMTSA-N 463.485 2.264 30 10 JEEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1741003119 OWYKHKWHDQSART-HMXCVIKNSA-N 462.664 2.080 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1C[C@H]1CCN(CCc2ccccc2)C1 1741917435 FHEASJJLSWLOMV-UGKGYDQZSA-N 485.658 2.193 30 10 JEEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1748790014 DCFODVNZYQLQPN-BGYRXZFFSA-N 466.634 2.409 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H](CC)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1748803475 ZFNBDWWQEKPLMZ-UYAOXDASSA-N 457.600 2.237 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1CCCCN1CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1748812333 SSAVSJFUQUIKKU-NHCUHLMSSA-N 472.659 2.422 30 10 JEEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1C[C@]1(C)CCCO1)[C@H]1CCS(=O)(=O)C1 1748824538 PZIHNVALRZBJIK-MBSDFSHPSA-N 474.583 2.062 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CCc2ccc(-n3cccn3)cc2)CC1 1749019497 WOTMJQXWWOIPCA-UHFFFAOYSA-N 461.570 2.209 30 10 JEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)c2cc(C)oc2C)CC1 1749034294 YVXURRZDJXDKFT-LJQANCHMSA-N 470.599 2.204 30 10 JEEE C=C(Br)Cn1c(-c2ccccc2OC)nnc1N1CCN(CC(=O)NC2CC2)CC1 1749098497 BPCJVEDWAFDVFV-UHFFFAOYSA-N 475.391 2.263 30 10 JEEE C=C(C)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCC(NC(=O)COC)CC1 1749187443 KKMZIZHFGHQDGJ-UHFFFAOYSA-N 479.585 2.373 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(OC[C@H]2CCCCO2)CC1 1749268471 AUKLANRPBLDKHY-SJLPKXTDSA-N 459.012 2.487 30 10 JEEE C=C1CCN(c2nnc(-c3cccc(OC)c3)n2CCS(=O)(=O)N2CCSCC2)CC1 1749287870 DMVOUMUGXXKVOM-UHFFFAOYSA-N 463.629 2.489 30 10 JEEE C=CCCOCCn1c(C2CCC2)nnc1N1C[C@@H]2[C@H](C1)[C@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1749457385 QJASEEMHXQUDPQ-GUDVDZBRSA-N 495.646 2.265 30 10 JEEE C=CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1CCN(C(C)=O)CC1 1749600307 VNPBALRTRIHNTG-UHFFFAOYSA-N 482.633 2.349 30 10 JEEE COCC[C@](C)(O)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCO[C@@H](C#N)C1 1749601114 CIKAMYUHBXYJIC-LIRRHRJNSA-N 468.327 2.363 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1ccc(N2CCCC2)cc1 1749650086 IZZSRENVAPBLKW-UHFFFAOYSA-N 474.569 2.464 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(S(=O)(=O)CC)CC1 1749672161 RBWHURGTCACNHT-UHFFFAOYSA-N 466.007 2.228 30 10 JEEE C=CCOc1ccc(Cn2c(CNC(=O)c3cccs3)nnc2N2CCNC(=O)CC2)cc1 1749685773 JRGLCYHDTYJXHD-UHFFFAOYSA-N 466.567 2.209 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2nc(C(C)(C)C)cs2)C1 1749698140 QRAKRJHXAJVLDD-CABCVRRESA-N 468.649 2.472 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ncnn2C(C)(C)C)C1 1749698612 UYCJZEVAMXDKJE-JPYJTQIMSA-N 459.595 2.495 30 10 JEEE CC(=O)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCOC[C@@H]2CCCO2)CC1 1749839604 RAKCYRYLLQFSEZ-QHCPKHFHSA-N 482.585 2.373 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1C[C@H]1CCC[C@@H](O)C1 1751202358 CITLYEKYFNPELP-NBHGPNQESA-N 472.615 2.480 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCNC(=O)[C@@H](C)CCC 1760113290 SFVSZLBDDLITEH-OALUTQOASA-N 452.607 2.462 30 10 JEEE C#CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1760139061 PYKQPHVDZBWPFQ-MOPGFXCFSA-N 495.646 2.403 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC(C)(C)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1760191142 BMYVTJINTRPPRR-INIZCTEOSA-N 472.537 2.355 30 10 JEEE C#CCN(c1nnc(COCC)n1Cc1ccsc1Br)[C@H]1CCS(=O)(=O)C1 1760192270 HGXKMXSHRRBCKO-AWEZNQCLSA-N 473.418 2.314 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@@]1(C)CCCO1)[C@@H]1CCS(=O)(=O)C1 1760192934 ZVUQRJCKGIUIGX-AUSIDOKSSA-N 458.584 2.361 30 10 JEEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(C)(C)C(=O)NCC 1760235673 SWBVKBMPZSMQLK-QGZVFWFLSA-N 462.595 2.208 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1760245281 YITLWSMWAIAKFH-CYFREDJKSA-N 456.543 2.386 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCc2cccc(F)c2)CC1 1760261338 PFAVXQXVCDMTRX-UHFFFAOYSA-N 452.559 2.407 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@](C)(O)C2CC2)CC1 1760270824 BQUUKIRUCOCAHZ-DEOSSOPVSA-N 455.534 2.123 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2Cc2cccnc2OCC)CC1 1760271863 PDNCQVPZPJIZFQ-UHFFFAOYSA-N 459.554 2.072 30 10 JEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCN([C@@H](C)c2nccs2)CC1 1760525992 ZRZVZKJOYNGMBW-HNNXBMFYSA-N 472.644 2.276 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCOC3)n2CCOc2ccc(S(C)(=O)=O)cc2)C1 1760541514 DEEURIHMXWECKT-ICSRJNTNSA-N 476.599 2.436 30 10 JEEE CCC(CC)NC(=O)c1nnc(N(C)[C@@H](C)CC#N)n1C[C@@]1(N2CCOCC2)CCSC1 1762182706 HEVXFMWBODSRNO-JTSKRJEESA-N 463.652 2.143 30 10 JEEE Cc1cc(C)n(Cc2nnc(N3CCN(Cc4ccc(C#N)cc4)CC3)n2C[C@H](C)N(C)C)n1 1762453553 CURAGXCMOWIJOC-NRFANRHFSA-N 461.618 2.284 30 10 JEEE CC[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1)OC 1764247413 AQFXDUXRJREKRC-SFTDATJTSA-N 451.575 2.238 30 10 JEEE CCC[C@H](C)C(=O)NCCn1c(-c2cccnc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1765475695 IFSUKWURMXTXMD-OALUTQOASA-N 488.600 2.269 30 10 JEEE N#Cc1cccc(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)NCc3ccncc3)cc2)c1 1858977062 ICNUVYZPDVNRSA-UHFFFAOYSA-N 463.519 2.114 30 10 JEEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@H]1c1ccc(O)c([N+](=O)[O-])c1 1862467098 ICSHHXPEOOXVAY-GOSISDBHSA-N 479.367 2.432 30 10 JEEE O=C(C1=C(O)C(=O)N(CCN2CCOCC2)[C@@H]1c1cccc(O)c1)c1ccc([N+](=O)[O-])cc1 1862746223 AYMPEPMOONFIPN-HXUWFJFHSA-N 453.451 2.211 30 10 JEEE CC[C@H](NC(=O)CCS(=O)(=O)c1ccc(OC)c(OC)c1)C(=O)Nc1cccc(C#N)c1 1866802831 IDXVKSOWKUELAE-SFHVURJKSA-N 459.524 2.273 30 10 JEEE CN(C)C1CCN(C(=O)[C@H](Cc2ccc(F)cc2)N=C2NS(=O)(=O)c3ccccc32)CC1 1869929710 KSNGFDQBMICHID-FQEVSTJZSA-N 458.559 2.028 30 10 JEEE CN(Cc1ccccc1)c1nc(NC(=O)c2cccc(C#N)c2)n([C@@H]2CCS(=O)(=O)C2)n1 1870022173 MUFFWCMLMWKPIO-LJQANCHMSA-N 450.524 2.398 30 10 JEEE N#Cc1ccc(Cn2nnc3c(=O)n(CC(=O)Nc4ccc(Br)cc4)cnc32)cc1 1870100723 JTBKHSVQXOCNHF-UHFFFAOYSA-N 464.283 2.309 30 10 JEEE CCCCCCCCn1cc(OCC(=O)NCCOC)c(=O)cc1CN(CCOC)CCOC 1870520200 ZKSOBWIIACYTOZ-UHFFFAOYSA-N 483.650 2.445 30 10 JEEE C=CCn1cc(OCC(=O)Nc2ccc(OC)c(Cl)c2)c(=O)cc1CN1CCC(C(N)=O)CC1 1870705044 BSICFDLJRUZQPA-UHFFFAOYSA-N 488.972 2.411 30 10 JEEE C=CCn1cc(OCC(=O)Nc2cc(OC)ccc2OC)c(=O)cc1CN1CCC(O)CC1 1870736956 XRFLFEZFRYFPBQ-UHFFFAOYSA-N 457.527 2.026 30 10 JEEE C=CCn1c(C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)cc2c(NCCOCCO)ncnc21 1873631658 CVRKNIGWDLOPQA-UHFFFAOYSA-N 456.459 2.207 30 10 JEEE CC(C)N1CCN(CC#CCOC2CCN(S(=O)(=O)Cc3cccc(F)c3)CC2)CC1 1889642711 RCJPQNBITALKEJ-UHFFFAOYSA-N 451.608 2.166 30 10 JEEE N#Cc1cccnc1N1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 1892223910 NVBZPBIRECQSMT-IBGZPJMESA-N 493.511 2.474 30 10 JEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2255811430 RLYVZNCOVYVSRM-HZPDHXFCSA-N 452.382 2.411 30 10 JEEE CC(C)(C)OC(=O)NCC1(O)CN(C(=O)c2scc(B3OC(C)(C)C(C)(C)O3)c2Cl)C1 2255854251 ZXUDMEXOWNYYSJ-UHFFFAOYSA-N 472.800 2.412 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1)[C@@H]1CCOC1 2256677109 ADKSTUJTZZGZHH-TZMCWYRMSA-N 453.370 2.311 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H]1NS(=O)(=O)Cc1ccccc1B1OC(C)(C)C(C)(C)O1 2267473204 BGFUBQQUCKXGCL-SJLPKXTDSA-N 466.409 2.318 30 10 JEEE Cn1cc(C(=O)N2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)nc1B1OC(C)(C)C(C)(C)O1 2267505624 LFPASJATTQZBPO-IBGZPJMESA-N 482.390 2.498 30 10 JEEE Cc1csc(C(=O)N2C[C@@H](O)C[C@@H]2CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267536567 CYAWTAIMBYBZEO-CABCVRRESA-N 466.409 2.456 30 10 JEEE Cc1sc(C(=O)N2C[C@@H](O)C[C@H]2CNC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2267545459 JJZSZAZFNJKOAZ-GJZGRUSLSA-N 466.409 2.456 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2Cl)CO1 2267710111 NXAFFBLNCKZLEF-AWEZNQCLSA-N 488.799 2.468 30 10 JEEE CC1(C)OB(c2cncc(S(=O)(=O)N(CCCC(=O)O)Cc3ccccc3)c2)OC1(C)C 2269035530 GGYCLOXZTVEMFA-UHFFFAOYSA-N 460.361 2.437 30 10 JEEE CC(C)(C)OC(=O)NCCOCCOCCNc1nccc(B2OC(C)(C)C(C)(C)O2)c1F 2280766059 BGWKXYABVGXREO-UHFFFAOYSA-N 469.363 2.490 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](O)CN1C(=O)c1cccc(F)c1B1OC(C)(C)C(C)(C)O1 2281776870 XSGHJQAWBRUROK-LSDHHAIUSA-N 464.343 2.225 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(C1CC1)C1CN(C(=O)OC(C)(C)C)C1 2281970027 BTGYIMBNZWAMIF-UHFFFAOYSA-N 460.384 2.426 30 10 JEEE Cn1nc(C(=O)N2CC[C@@H]3[C@H](CCN3C(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2281979008 AYDUUDYRFJYGCC-NVXWUHKLSA-N 460.384 2.191 30 10 JEEE Cc1c(C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C(F)(F)F)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281989875 GGFXKTFKNXKBLU-LBPRGKRZSA-N 476.305 2.213 30 10 JEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@@H]1CCCN(C(=O)C(F)(F)F)C1 2282313003 FANIWAPGOPGZAP-ZDUSSCGKSA-N 496.382 2.435 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H]2CN(S(=O)(=O)c3cncc(B4OC(C)(C)C(C)(C)O4)c3)C[C@H]21 2282353025 SHUJQHYDHSACJL-MAUKXSAKSA-N 479.408 2.011 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC2CCN(C(=O)C(F)(F)F)CC2)n1 2282550917 GERKYVCWVJNSRK-UHFFFAOYSA-N 455.286 2.220 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@@H](NC(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2282581220 FFZAYUHPPHTEGZ-YQQAZPJKSA-N 460.384 2.474 30 10 JEEE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1N(C)C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2282587370 LQELLTQJBBDGJN-DOTOQJQBSA-N 462.400 2.437 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@]12CO[C@@H](C1)[C@@H](NC(=O)OC(C)(C)C)C2 2282596258 DGFFYLRUXPQNJH-FBJOKTGGSA-N 479.408 2.305 30 10 JEEE CC1(C)OB(c2ccc(C(=O)N3CC[C@@](CNC(=O)C(F)(F)F)(C4CC4)C3)o2)OC1(C)C 2282630155 FKQXJDCWPCFGJG-FQEVSTJZSA-N 456.270 2.500 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H]1COCC[C@H]1NC(=O)OC(C)(C)C 2282693518 NBJXCTVYSQDQGL-IAGOWNOFSA-N 463.384 2.219 30 10 JEEE Cc1cc(C(=O)N2C[C@H](O)C[C@@H](NC(=O)OC(C)(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2282697108 MDNLWHPJFOHXQQ-QZTJIDSGSA-N 460.380 2.394 30 10 JEEE CON(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(O)cc1O)C1CN(C(=O)OC(C)(C)C)C1 2282976100 RWHICPZRLRNFAT-UHFFFAOYSA-N 464.324 2.020 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CNC(=O)c3nccnc3B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2283055246 FSVNFZFSCOXTLW-BZUAXINKSA-N 458.368 2.009 30 10 JEEE COCC[C@@]1(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)CCCN1C(=O)OC(C)(C)C 2284052164 CUEVSUADPDEXRX-OAQYLSRUSA-N 482.412 2.004 30 10 JEEE Cc1cc(CNC(=O)[C@@H](F)C2(O)CN(C(=O)OC(C)(C)C)C2)sc1B1OC(C)(C)C(C)(C)O1 2284064037 VTTQPQJPGUISSB-OAHLLOKOSA-N 484.399 2.292 30 10 JEEE CC(C)(C)OC(=O)NCCc1n[nH]cc1C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2284123783 AZTSVNFOYKOHTN-UHFFFAOYSA-N 477.396 2.163 30 10 JEEE CC1(C)OB(c2cc(S(=O)(=O)N[C@H](COCc3ccccc3)C(=O)O)ccc2F)OC1(C)C 2284405276 IOZYUCHWMBNNOQ-LJQANCHMSA-N 479.335 2.073 30 10 JEEE CCCNC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)(C)C)C2)n1N=Cc1ccc(O)c(O)c1 2327841627 WGNYBGBSYKPYQR-HNNXBMFYSA-N 474.587 2.304 30 10 JEEE N#Cc1nnn(Cc2cc([N+](=O)[O-])cc3c2OCOC3)c1NC(=O)C=Cc1ccc2c(c1)OCCO2 2332148085 IFOBWUIMSWVYQK-UHFFFAOYSA-N 490.432 2.396 30 10 JEEE COc1nc(OC[C@]2(NC(=O)OC(C)(C)C)CCOC2)ccc1B1OC(C)(C)C(C)(C)O1 2339830725 AKJFPMDNXGQQIT-QFIPXVFZSA-N 450.341 2.452 30 10 JEEE CC(C)(C)OC(=O)N(CCO)CC(=O)Nc1cc(F)c(B2OC(C)(C)C(C)(C)O2)c(F)c1 2341211867 CQNIIHIVMIRXJE-UHFFFAOYSA-N 456.295 2.432 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCc1cncc(NC(=O)OC(C)(C)C)c1 2362350437 RRVNPAXMXIVFNC-UHFFFAOYSA-N 457.340 2.391 30 10 JEEE COc1cccc(/C=c2\s/c(=C(/C#N)C(=O)N3CCOCC3)n(-c3cccc(Cl)c3C)c2=O)c1 3328244 HEBKJERXSBHERZ-XJVUNPDISA-N 495.988 2.231 30 10 JEEE COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(OC)c(OC)c2)cc1 102432194 SGRLCOBYUJFTHN-FEYWKWKCSA-N 482.533 2.466 30 10 JEEE C=C(C)COc1cc(C=c2sc(=CC(=O)C3CC3)n(CC(=O)NC(C)(C)C)c2=O)ccc1OC 488560199 PFNNBVDGLPHRHE-UHFFFAOYSA-N 484.618 2.376 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)OCC(=O)N2c3ccccc3NC(=O)C2(C)C)ccc1F 914659068 DONFGCFTMSEAIU-UHFFFAOYSA-N 475.498 2.211 30 10 JEEE COc1cc(C=NNc2nc(SCC(=O)NCCc3ccc(OC)c(OC)c3)n[nH]2)ccc1O 1084015993 CQPRMTDQRYVXRH-UHFFFAOYSA-N 486.554 2.433 30 10 JEEE COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)NC3CCN(c4ccccc4C#N)CC3)cc2)[nH]1 1150621080 GBULIEZATWHKHN-UHFFFAOYSA-N 459.506 2.152 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cc(Br)c[nH]3)n2CCn2cncn2)c1 1286308967 MXASFVYLYWVRLO-UHFFFAOYSA-N 494.357 2.384 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1CCCN(C)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1286387875 VSWORGIEBROTSA-LJQANCHMSA-N 488.614 2.224 30 10 JEEE C#CCN(c1nnc(CCOc2ccccc2)n1CCN1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1286394954 YJHFBXHDGMRIIX-JOCHJYFZSA-N 485.654 2.258 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CCC(=O)N2CCCCC2)CC1 1286473281 JYARFKWDWUEVSN-UHFFFAOYSA-N 496.612 2.129 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1286492638 OTMKXODXKFHEGY-QFIPXVFZSA-N 492.624 2.354 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@H](C)Oc2ccc(OC)cc2)CC1 1286493686 PEHBHUSCOZYZQB-ICSRJNTNSA-N 467.570 2.224 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCc2ccc(F)c(F)c2)CC1 1286495473 WWCOGHYPVKSXBA-UGKGYDQZSA-N 487.551 2.489 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)CNC(=O)OC(C)(C)C 1286522067 GKVOQKGDTKDRQC-GSHUGGBRSA-N 465.620 2.333 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCN(CCC)C(=O)C1 1286563267 OQZXHQOAGAQCDX-MPJJRAAHSA-N 461.607 2.432 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)C[C@@H]1CCCO1 1286672054 FZIWEGLJCZZFEJ-ZWKOTPCHSA-N 455.625 2.219 30 10 JEEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1286710596 AURGDDCYNPJLBN-JOCHJYFZSA-N 474.650 2.289 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(c2cnn(CC)c2)CC1 1286782230 OQJQEMKSWXFVJG-UHFFFAOYSA-N 497.625 2.251 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 1286789202 CDGGIOFLOCRBIY-IBGZPJMESA-N 492.671 2.063 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Br)s2)nnc1N1CCC[C@H](C(N)=O)C1 1286815198 ODLDBKMUVMYSLR-LBPRGKRZSA-N 488.433 2.072 30 10 JEEE CCC[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1293804427 FDEJUBIVCIOHEC-SQJMNOBHSA-N 465.602 2.111 30 10 JEEE CC(=O)NC[C@H]1CCn2ncc(C(=O)N3CCN([C@@H](C#N)c4cccc(Cl)c4)CC3)c2C1 1297320824 AWAHSTMTSRAVCP-JTSKRJEESA-N 454.962 2.258 30 10 JEEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H](c1ccc(C)o1)N1CCOCC1 1300431178 DWNWRYPTAWJQHN-YKSBVNFPSA-N 457.575 2.363 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H](c1cccc(F)c1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1300487949 NQBKPYXWPKREFE-IFMALSPDSA-N 482.585 2.409 30 10 JEEE C#CCN(c1nnc(-c2cccc3cccnc23)n1CCC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1300489416 NSRIITQDTJXARK-GOSISDBHSA-N 453.568 2.281 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1CC1(COC)CCC1)[C@@H]1CCS(=O)(=O)C1 1300497254 AEMFCWZJHHHKSR-HXUWFJFHSA-N 472.611 2.321 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2C[C@](C)(O)C2CC2)CC1 1300725791 DMFOXMVYIVMDSK-VWLOTQADSA-N 451.571 2.004 30 10 JEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC2(CC1)OCc1ccccc12 1300734072 PXYYHWDYBRTORR-QGZVFWFLSA-N 475.640 2.281 30 10 JEEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1ccccc1)C1CC1 1300761953 FGUCKMPHOZBZLZ-HXUWFJFHSA-N 475.640 2.146 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)cc1OCC 1300805497 FRKOAZHCBKNFLT-XUZZJYLKSA-N 487.626 2.359 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](OC)[C@H](C)CC)CC1 1301127080 YJHGFYXMZIYSRM-NEWSRXKRSA-N 455.625 2.075 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1301496951 KMXMQAPLBVCLDN-VWLOTQADSA-N 479.585 2.136 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@@H](COCC)C1 1301576566 DVAQZEZWVRCYDK-QGZVFWFLSA-N 462.572 2.180 30 10 JEEE CC[C@@H](C)N(C)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@](F)(C#N)C1 1305611951 APOJJHUYLMSQET-IERDGZPVSA-N 462.599 2.410 30 10 JEEE COCC[C@@](C)(O)Cn1c(-c2cnccn2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1315966349 FMDUDDLAWVRCJN-HSZRJFAPSA-N 482.976 2.374 30 10 JEEE N#C[C@@H]1CN(c2nnc(-c3ccc(F)cc3Br)n2CCNC(=O)C2CC2)CCO1 1316537508 CDTXGUYOEHKSOX-CQSZACIVSA-N 463.311 2.102 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H]1CCOC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1358955586 OZRFNQGNVVYWME-RZUBCFFCSA-N 499.637 2.447 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](C)N1CCN(c2ccccc2)CC1 1358968388 KBHMGAVWLNEUEL-JOCHJYFZSA-N 482.592 2.209 30 10 JEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCNC(=O)c1ccc(C)cc1 1358978325 JMVDDIXNFFVKDA-UHFFFAOYSA-N 482.592 2.263 30 10 JEEE C#CCN(CCOC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@]1(OC)CCOC1 1359024412 MKZPLASDGHEOJO-DEOSSOPVSA-N 477.606 2.284 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(OC(F)F)c(F)c2)CC1 1359029492 ZAFBICNHNZRETQ-UHFFFAOYSA-N 485.470 2.469 30 10 JEEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC2(CC1)COC(=O)N2 1359050158 IGVPEDVNMWNJET-UHFFFAOYSA-N 465.377 2.481 30 10 JEEE C#CCSCCn1c(-c2ccc(Br)cc2)nnc1N1CCN(CC(=O)NCC)CC1 1359051500 YQGXTTSPDGGDPI-UHFFFAOYSA-N 491.459 2.332 30 10 JEEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1359059007 XSGCDWACELXENR-OAQYLSRUSA-N 481.670 2.153 30 10 JEEE C=C(Br)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](C(N)=O)C1 1359084284 CWXDEFCHPWGOJU-GJZGRUSLSA-N 499.410 2.197 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC[C@H](CC(N)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1359106230 ZGTVHJGTUHJACZ-OBFMXLEASA-N 461.607 2.392 30 10 JEEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1359134900 KZJZTZWPXVUQEA-UHFFFAOYSA-N 487.674 2.361 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2cc(OC)c(C)cc2C1 1359151693 YSCYFACWJNEBCN-IBGZPJMESA-N 482.006 2.243 30 10 JEEE C=CCCOCCn1c(Cn2ccc3ccccc32)nnc1N1CCCN(S(C)(=O)=O)CC1 1359228469 DRHMZXDOKVUCJE-UHFFFAOYSA-N 472.615 2.346 30 10 JEEE C=CCN(CC=C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCCS(=O)(=O)C1 1359270488 QYOGFGUUQIPQOT-KRWDZBQOSA-N 468.583 2.195 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCOC[C@@H]1C 1359271881 GCAZDINQDJVOJA-VQTJNVASSA-N 476.622 2.486 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1359293860 BWCVJBXZBBHMCA-MRXNPFEDSA-N 460.485 2.050 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1359333677 GJYFJSIOVUSQOL-JOCHJYFZSA-N 478.578 2.314 30 10 JEEE C=CCC[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1)C(=O)OCC 1449692874 IDDVTQHNJRECAJ-MAUKXSAKSA-N 453.517 2.010 30 10 JEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CCC[C@@H](O)C1 1507641591 HTZJPGCHTJSCPZ-RTBURBONSA-N 454.600 2.171 30 10 JEEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1507748197 LIHRJLZQVKKLIU-FQEVSTJZSA-N 477.638 2.316 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2cccs2)CC1 1507844386 JAJDGXKGSSULER-SFHVURJKSA-N 465.645 2.157 30 10 JEEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC([C@H]2CC2(F)F)CC1 1507965506 SDNKEVDXZPYMCX-QZTJIDSGSA-N 489.589 2.075 30 10 JEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 1507968112 QCHMGIMWKNBDQL-TZIWHRDSSA-N 493.674 2.248 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2cnccn2)CC1 1508103728 DOVAVYMPHHPXCN-UHFFFAOYSA-N 462.558 2.146 30 10 JEEE CC(C)N1C(=O)c2ccc(C(=O)N3CCN(Cc4ccccc4)[C@@H](C#N)C3)cc2S1(=O)=O 1529236014 AMAMJFHBRMGBCT-IBGZPJMESA-N 452.536 2.090 30 10 JEEE C#CCn1ccc(CN(CC)C(=O)C2CCN(S(=O)(=O)c3ccc(OCC)cc3)CC2)n1 1538916649 JLNKIJFOTWTFEY-UHFFFAOYSA-N 458.584 2.364 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H](C)c1nc(C)cs1)[C@@H]1CCS(=O)(=O)C1 1539210190 BJPFACPMXPWEPO-NVXWUHKLSA-N 458.613 2.479 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H](C)c1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1539221920 SOEPRSFYEZDQAF-IPELMVKDSA-N 461.588 2.207 30 10 JEEE C#CCN(c1nnc(CCOc2ccccc2)n1CC1(O)CCCCC1)[C@H]1CCS(=O)(=O)C1 1539231417 VROSRVVJNOBWOX-FQEVSTJZSA-N 472.611 2.222 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1539490661 YXLXBZZMUFOURF-LEWJYISDSA-N 483.638 2.385 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2cc(OC)c(C)cc2C1 1539705176 QRGMDRDBNZFPEX-HXUWFJFHSA-N 461.588 2.067 30 10 JEEE C=C(Cl)Cn1c(Cc2ccncc2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1539809931 DVMKTZARQSCZRX-UTKZUKDTSA-N 458.010 2.395 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1540875709 VRRFCTYGRNNYIS-MOPGFXCFSA-N 454.600 2.428 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H](NC(=O)CC)C1 1540898350 HXBKEUXNEFRZOA-HNNXBMFYSA-N 499.435 2.132 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CC1CCCCC1 1541675166 AWWUKFPXVDOHJO-KRWDZBQOSA-N 451.579 2.373 30 10 JEEE CCC[C@H](C)NC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)NC)C1 1546895587 BSZRKLYUPKNEGC-FXAWDEMLSA-N 451.575 2.474 30 10 JEEE CNC(=O)[C@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CC12CCN(C(=O)c1ccn(C)n1)CC2 1548378127 VHRPSNRUTOKNKI-GOSISDBHSA-N 474.487 2.415 30 10 JEEE CN(C)C1(Cn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N2CC[C@](F)(C#N)C2)CCC1 1552795017 GRINYPCMPIIHPO-NRFANRHFSA-N 475.594 2.122 30 10 JEEE C#CCN(C(=O)N[C@H](CC)CNS(C)(=O)=O)[C@H]1CCOc2ccc(Br)cc21 1564781516 IUQWGUSGHNOHBF-ZBFHGGJFSA-N 458.378 2.245 30 10 JEEE C#CC[C@@H](NC(=O)c1occc1CS(=O)(=O)c1ccc(Br)cc1)C(=O)OC 1570221695 SLHAHEYQWHYREL-OAHLLOKOSA-N 454.298 2.311 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCO[C@@H]1CCOC1 1587574137 CAQDDTUSCAKBDD-SJLPKXTDSA-N 460.604 2.200 30 10 JEEE C#CCCCCn1c(N2CCC[C@@H](N3CCCS3(=O)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1587792837 BQNWQNILMDTWDV-NFBKMPQASA-N 479.647 2.127 30 10 JEEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1CCNC(=O)c1ccco1)[C@H]1CCS(=O)(=O)C1 1588034418 FSXXBYFKWFQNNC-LEWJYISDSA-N 495.605 2.470 30 10 JEEE C#CCN(c1nnc(CSc2ccc(C)cc2)n1Cc1nncn1CC)[C@@H]1CCS(=O)(=O)C1 1588073893 FSRBPUMKJZUMRB-GOSISDBHSA-N 485.639 2.165 30 10 JEEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1Cc1cc(Cl)c2c(c1)OCCO2 1588088993 FEXBBDIRMAMTMH-QHCPKHFHSA-N 456.930 2.476 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)c1cccc(F)c1 1588386167 NEMUCKMRCSOOAD-LJQANCHMSA-N 463.579 2.187 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@](C)(O)c1ccco1 1588647497 WATXLMNTIDYESZ-KOSHJBKYSA-N 489.573 2.173 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CC[C@@H](C)C2)n1 1588694721 CCQLUWCCTDUHKO-WOJBJXKFSA-N 453.591 2.433 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H](C)N2CCC[C@H](C)C2)CC1 1588751060 IFOOWIKSEAMYSW-FBLLAGFSSA-N 458.651 2.194 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCNC(=O)Cc2cccc(F)c2)CC1 1588876683 FGYZMEWTZXODLN-ISKFKSNPSA-N 496.631 2.450 30 10 JEEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1589110136 PQTYEQQKWHNRNZ-INIZCTEOSA-N 469.537 2.011 30 10 JEEE C#CCSCCn1c(COc2ccccc2OC)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1589116289 GFSIOYSSEFMALG-ZWKOTPCHSA-N 455.584 2.480 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CCCc2ccccc2)nnc1N1CCO[C@H](C(=O)NC)C1 1589556162 AOPNVMUFQSNCBN-FUDKSRODSA-N 453.587 2.386 30 10 JEEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1593690749 NZDVBJYOGIRAIS-FPOVZHCZSA-N 475.615 2.398 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1Cc2ccccc2O[C@H](C)C1 1593884539 IAIFLSQNJOXPMU-QAPCUYQASA-N 467.979 2.151 30 10 JEEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCS[C@@H](C)[C@@H]1C 1595490506 UMIXKIPVEQCJQX-HOTGVXAUSA-N 477.660 2.179 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1C[C@H](OC)[C@H](OC)C1 1595577141 JYPMEULFQVPWIR-BGYRXZFFSA-N 457.575 2.307 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)c2cccc(Br)c2)[C@H](C#N)C1 1630719437 ATPOHBMZLMCTSL-OAHLLOKOSA-N 451.321 2.150 30 10 JEEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2C[C@@H](O)[C@H](CO)C2)c1 1637678137 IGNLWZOAGVEBHJ-MGPUTAFESA-N 450.944 2.147 30 10 JEEE CCOC(=O)c1c(NC(=O)N[C@H]2CCN(c3ccc(C)cc3)C2=O)c(C#N)cn1CCOC 1660529927 CLOJPUSQFIKRIU-SFHVURJKSA-N 453.499 2.418 30 10 JEEE N#Cc1ccc(CN2CC[C@@H](NC(=O)NCC3(CN4CCOCC4)CCCCC3)C2=O)cc1 1680023565 HTZYQLYDJTWPIC-JOCHJYFZSA-N 453.587 2.241 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@]2(C)COCCO2)c1 1689868682 OHHIOLYBWPDQNY-FTJBHMTQSA-N 497.596 2.180 30 10 JEEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1689874842 CJTQFVWZYNNIEZ-FQEVSTJZSA-N 492.628 2.298 30 10 JEEE C#CCCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1689892858 OQOISPASCCMKPQ-OAQYLSRUSA-N 473.599 2.360 30 10 JEEE C#CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 1689926878 ZSUVVKKCLLBJJX-KRWDZBQOSA-N 470.599 2.348 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H](c1ccco1)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1689989996 KTLMQHILTITJIK-QHAWAJNXSA-N 489.642 2.475 30 10 JEEE C#CCN(c1nnc(CCOc2ccccc2)n1C[C@@H]1CCO[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1689994481 ZDBHDXHDQMCRTE-NJYVYQBISA-N 472.611 2.341 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1Cc1ncccc1N(C)C)[C@H]1CCS(=O)(=O)C1 1689996216 FIWXLCSRBCCYCM-IBGZPJMESA-N 498.584 2.132 30 10 JEEE C#CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCC)[C@@H]1CCS(=O)(=O)C1 1689998493 NLUXNMVKYCVASV-IXDOHACOSA-N 451.593 2.086 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2c(CC)nn(C)c2OC)CC1 1690139835 BGLXXULAJGDFLD-UHFFFAOYSA-N 497.003 2.312 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2cccc(OC)c2)CC1 1690152436 LBJRSISARPWDIQ-UHFFFAOYSA-N 461.570 2.162 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1690245654 LESRSYWIYWFNPD-OFNKIYASSA-N 467.618 2.276 30 10 JEEE C=C(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1690273224 IVHGBODXHYOGGY-LJQANCHMSA-N 493.033 2.442 30 10 JEEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1690452056 VYQDEHHNFUJOHW-GOSISDBHSA-N 473.603 2.286 30 10 JEEE C=CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H]1CCCS(=O)(=O)C1 1690620167 SIRKULVHWGADHN-INIZCTEOSA-N 472.571 2.058 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc2c1OCCCO2 1690622641 UKZIPNFCJMCLIX-GOSISDBHSA-N 462.572 2.029 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCCN(C(=O)C2CC2)CC1 1690664087 KAOLCUJYKRODQH-UHFFFAOYSA-N 472.977 2.358 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(C)n3)n2CCCN2CCC[C@H]2C(=O)N(C)C)C1 1690696440 BYPFBMGYXADJKA-UNMCSNQZSA-N 467.618 2.373 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1690722614 PKWUFTDAIVVTBZ-HXUWFJFHSA-N 452.540 2.324 30 10 JEEE Cc1cc(CN2CCN(c3nnc(-c4ccc(C#N)cc4)n3CCC(=O)NC(C)C)CC2)no1 1693001813 FBPBKOCKLKVKKV-UHFFFAOYSA-N 462.558 2.350 30 10 JEEE C[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(=O)(=O)Cc2ccon2)C1 1693663165 HWGCDPSAGMLNTI-INIZCTEOSA-N 455.544 2.161 30 10 JEEE CN(C)C(=O)COc1cccc(Cn2c(Cc3cccnc3)nnc2N2CC[C@@](F)(C#N)C2)c1 1696594174 HQIYQOAXNXJTHM-XMMPIXPASA-N 463.517 2.221 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(OC(F)F)c1 1705534456 IWOFYYANSOGDPT-GOSISDBHSA-N 483.541 2.262 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CC1(C)CCOCC1)[C@H]1CCS(=O)(=O)C1 1705569965 IYJLYEGLCOQJCJ-FQEVSTJZSA-N 460.575 2.451 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C)cc2)n1 1705632085 VKVLCVWRMADAHO-NRFANRHFSA-N 482.610 2.020 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C)N(C)Cc2ccccc2)CC1 1705632614 WKTDIZFLZZBVTO-OAQYLSRUSA-N 472.597 2.201 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](C)c2cccc(C)c2)CC1 1705643368 CWYMPQFYFNFDDR-LJQANCHMSA-N 450.587 2.494 30 10 JEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1705652583 FQGPNXTVTKJNPU-CVEARBPZSA-N 450.609 2.132 30 10 JEEE C=C(Br)Cn1c(-c2ccccn2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1705683566 LUSPBBQSAJDNLK-HNNXBMFYSA-N 460.336 2.015 30 10 JEEE C=C(Br)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1705691146 AEOLPBILZDMHLP-OAHLLOKOSA-N 470.755 2.370 30 10 JEEE C=C1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1705766088 MKEDITHJHPLKDK-KRWDZBQOSA-N 454.531 2.497 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2sccc2[C@H]1CC 1705936118 KIRVTYHFQWSXHG-DOTOQJQBSA-N 484.669 2.356 30 10 JEEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2nc(C)c(C)s2)CC1=O 1712485488 AFHCYMPJZVLFJD-UHFFFAOYSA-N 465.583 2.428 30 10 JEEE CS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(OC2CCCC2)CC1 1712711253 GMJTVOQUPJZDFA-UHFFFAOYSA-N 458.588 2.294 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC[C@H](C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1722360767 JMFXPOPBUAIVTN-RXVVDRJESA-N 452.584 2.499 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CC[C@](C)(CC)O2)CC1 1722440113 CLJYBYDZDNJTIU-MBSDFSHPSA-N 456.616 2.373 30 10 JEEE C#CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(CCOC)[C@@H](C)C1 1722458064 CFWCBQWUPYPONS-KRWDZBQOSA-N 467.599 2.117 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1722494889 SUSBUIZNGVSYAX-TZIWHRDSSA-N 471.606 2.325 30 10 JEEE C=C(C)COCCn1c(-c2ccccc2C)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1722530881 CGYZFDAYUGXBQX-UHFFFAOYSA-N 454.575 2.420 30 10 JEEE C=C(Cn1c(-c2cnccn2)nnc1N1CCN(C(=O)CN(CC)CC)CC1)c1ccccc1 1722540179 CBNACDWKBQKTJS-UHFFFAOYSA-N 460.586 2.439 30 10 JEEE C=CC1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CC[S@](=O)CC)CC1 1722578619 TYPFFCUPHMPFFJ-SSEXGKCCSA-N 450.634 2.409 30 10 JEEE C=CCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1722623993 PYDVDGUOWGBVMN-WOJBJXKFSA-N 473.599 2.189 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1CCS(=O)(=O)CC1 1722658760 JNDJFHRDWXGBRK-MRXNPFEDSA-N 499.634 2.045 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](c2cccc(C)c2)C1 1722724952 JTGFPHSQMXTCRS-HXUWFJFHSA-N 457.600 2.417 30 10 JEEE C=CCSCCn1c(C(C)C)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1722732875 RLGJZYRVCISRHC-ZACQAIPSSA-N 485.676 2.447 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCN1CCOCC1(C)C 1722980052 FSPQYYYBGUFWKD-MOPGFXCFSA-N 489.621 2.190 30 10 JEEE CC(C)C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1723358182 AIGUZIYRHALOSH-CVDCTZTESA-N 473.599 2.151 30 10 JEEE N#C[C@H]1CN(c2nnc(-c3ccc(Br)s3)n2C[C@H]2CCCCS2(=O)=O)CCO1 1731188481 GSFDYNDBTUCTFO-QWHCGFSZSA-N 486.417 2.465 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(OCCO)c(OC)c2)CC1 1740706114 RHOVMKFSGGGKGR-UHFFFAOYSA-N 483.613 2.261 30 10 JEEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C(C)(C)C)CC1 1740711152 IMGJNGYYQJGFBM-UHFFFAOYSA-N 490.699 2.482 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1740753875 OWJOYOYCNUJGEM-FBBABVLZSA-N 475.615 2.405 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1740794529 CHPWETNBFWMJAA-ICSRJNTNSA-N 452.563 2.489 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1740795124 OMXGAJWYIWCECW-MSOLQXFVSA-N 451.568 2.105 30 10 JEEE C=CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](CNC(C)=O)C1 1740862980 KTSZQLASZNMNIL-PMACEKPBSA-N 492.621 2.284 30 10 JEEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C(=O)OC)[C@H](CNC(=O)OC(C)(C)C)C1 1740867460 KSLMUNROJMCRLN-IAGOWNOFSA-N 478.594 2.133 30 10 JEEE C=CCCCn1c(N2CCCN(CC(=O)N3CCCC3)CC2)nnc1[C@]1(OCC)CCOC1 1740881627 MITBFUONPIMJHJ-DEOSSOPVSA-N 460.623 2.031 30 10 JEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1740887580 KEBMYYKPBFULJB-SFTDATJTSA-N 471.583 2.222 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C)O[C@H](c2ccsc2)C1 1740952186 WWSRZOWZLIDATL-WBVHZDCISA-N 467.555 2.256 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc3ccccc3o2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1740955200 YHTXPCISNMUZBU-PKOBYXMFSA-N 480.569 2.361 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(F)(F)F)CC1 1740987542 IHAXJQSDTNLQQI-UHFFFAOYSA-N 468.505 2.102 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCOCC2(CC2)C1 1740988528 HUXGXBMJGIXYTM-UHFFFAOYSA-N 462.572 2.180 30 10 JEEE CO[C@](C)(Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1)C1CC1 1748367553 DAHVTFVEUZAHPG-WZONZLPQSA-N 472.615 2.397 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)CCC(=O)NC 1749118856 KGADJRJYKLDOCI-PXNSSMCTSA-N 474.993 2.415 30 10 JEEE C=C(C)Cn1c(CCOc2ccccc2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1749200427 GFQCSYKACHXGDJ-REWPJTCUSA-N 452.603 2.465 30 10 JEEE C=C(C)COCCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1749228957 FXDVJXCMMFNTAT-LPHOPBHVSA-N 450.561 2.253 30 10 JEEE C=CCC(C)(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1749354482 RFDFKONSZHRAHH-SFHVURJKSA-N 497.579 2.495 30 10 JEEE C=CCCCn1c(COc2cccc(C)c2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1749434422 SDCOYSKTCLMHBO-UHFFFAOYSA-N 454.575 2.305 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCO[C@H](C(C)(C)C)C1 1749666087 GTIUFYHHGUZFHT-IBGZPJMESA-N 479.585 2.228 30 10 JEEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccc(Cl)nc2C1 1749755120 FBSOLRNNNFZCQC-QGZVFWFLSA-N 499.062 2.141 30 10 JEEE C#CCCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1760138868 KPCZTJWVLOAVMJ-UHFFFAOYSA-N 471.005 2.499 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CCC(=O)N[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1760186009 ITLJNWDVXFMIOC-SJORKVTESA-N 493.580 2.079 30 10 JEEE C=C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1760392462 QYPBCVFFDOXTCA-IBGZPJMESA-N 456.572 2.167 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CCN1CCN(C)C(C)(C)C1 1760477464 BDDMUCHVLGWWTG-QFIPXVFZSA-N 481.645 2.456 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(C)=O)C[C@@H]1C)C(C)C 1760488304 RFTGZXBFAWDOSU-UNMCSNQZSA-N 471.650 2.270 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCNC(=O)C1)C(C)C 1760490327 UXSHYNSYTSYIGS-HXUWFJFHSA-N 476.585 2.229 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1760550734 HHPHLALRPZSLEW-PXNSSMCTSA-N 480.034 2.356 30 10 JEEE CNC(=O)CC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1769267500 BLCMANIAHTYQBK-OAQYLSRUSA-N 463.586 2.428 30 10 JEEE CN(C)c1ccc(NC(=O)[C@@H](CO)NC(=O)C2CCN([C@H](C#N)c3cccs3)CC2)cc1 1866866131 DXJXYTBJBDUGHZ-WOJBJXKFSA-N 455.584 2.207 30 10 JEEE CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](C)NC(=O)C2CCN([C@H](C#N)c3cccs3)CC2)C1 1868781829 AUFCBYGSUYHUFH-QXAKKESOSA-N 460.600 2.331 30 10 JEEE CN1CCN(c2ccc(-n3nnc(C#N)c3NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)cc2)CC1 1870141250 IDAZRRXZPJBXPB-BJMVGYQFSA-N 458.482 2.451 30 10 JEEE CCOC(=O)c1ccc(N2C[C@@H](C(=O)Nc3c(C#N)nnn3-c3ccc4c[nH]nc4c3)CC2=O)cc1 1870151418 WCGWORPJIHWAKR-INIZCTEOSA-N 484.476 2.184 30 10 JEEE C#CCOc1cn(CCOc2ccc(OC)cc2)c(CN2CCC3(CC2)OCCO3)cc1=O 1870562822 XRCAIWALYRILTE-UHFFFAOYSA-N 454.523 2.287 30 10 JEEE CN1C(=O)c2ccc(NCc3cc(=O)c(OCc4ccc(C#N)cc4)cn3CCO)cc2C1=O 1871252606 KASXFDVAHKWLGT-UHFFFAOYSA-N 458.474 2.129 30 10 JEEE COCCc1nnc(SCC(=O)NCc2ccccc2)n1/N=C/c1ccc(O)c(OC)c1 1874474473 FMQVYPKUSDJVHN-ZVHZXABRSA-N 455.540 2.472 30 10 JEEE CN1CCN(CC#CCOC2CCN(C(=O)Cc3ccc(Br)cc3[N+](=O)[O-])CC2)CC1 1890323142 NZYMECCMOFXYQP-UHFFFAOYSA-N 493.402 2.158 30 10 JEEE COc1cc(N2CCN(C(=O)[C@H]3SCC(=O)N(C(C)C)[C@H]3c3ccc(C#N)cc3)CC2=O)ccn1 1891391576 LMWCWJDGWPGQDU-ZEQRLZLVSA-N 493.589 2.231 30 10 JEEE CO[C@H]1[C@@H](C(=O)N2C[C@@H]3[C@H](C2)[C@@H]3B2OC(C)(C)C(C)(C)O2)N(C(=O)OC(C)(C)C)C[C@H]1OC 2205488396 LHPFRGWAYBJNJN-NWCWSAAOSA-N 466.384 2.186 30 10 JEEE 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 2223128859 YMGOCOYIDLYOCQ-ICUGJSFKSA-N 453.580 2.436 30 10 JEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](C(=O)N2CCC(B3OC(C)(C)C(C)(C)O3)CC2)C1 2231046245 AHXYLOJLUVCUEM-INIZCTEOSA-N 472.413 2.105 30 10 JEEE C=C(CS(=O)(=O)N1CC[C@H](C)[C@H](NC(=O)C(F)(F)F)[C@@H]1C)B1OC(C)(C)C(C)(C)O1 2255799699 MMFBJXLBCZFUQO-UBHSHLNASA-N 454.320 2.281 30 10 JEEE CC1(C)OB(c2cnc(C(=O)N[C@@H]3CCCN(C(=O)OCc4ccccc4)C3)nc2)OC1(C)C 2255839398 VKOBWQCFIZESGS-LJQANCHMSA-N 466.347 2.307 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@H](CC(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C1 2256628895 ODWYXCOACGPZFE-CYBMUJFWSA-N 453.370 2.407 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CC(F)(F)C1 2267143357 HAJGIFJQEFDASD-GFCCVEGCSA-N 456.299 2.083 30 10 JEEE COC[C@]1(NC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)CCN(C(=O)OC(C)(C)C)C1 2267157789 BGEWRHILFPRTIB-NRFANRHFSA-N 467.397 2.198 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](CO)[C@H](NC(=O)c2csc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267562178 ZGAWEOAXAQXORQ-GDBMZVCRSA-N 466.409 2.395 30 10 JEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC[C@](C)(NC(=O)C(F)(F)F)C1 2267702365 FSWVVNLEQIHABG-KRWDZBQOSA-N 482.355 2.187 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](CC(=O)NCc2sccc2B2OC(C)(C)C(C)(C)O2)C1 2268668338 DBVVWTGCNXJFEM-GDBMZVCRSA-N 466.409 2.281 30 10 JEEE CC(C)(C)OC(=O)N1CCC(Nc2nccc(B3OC(C)(C)C(C)(C)O3)c2F)(C(N)=O)CC1 2280769507 JKDHKBXXOFHXIZ-UHFFFAOYSA-N 464.347 2.187 30 10 JEEE CC1(C)OB(c2csc(C(=O)NC3(C(N)=O)CCN(Cc4ccccc4)CC3)c2)OC1(C)C 2281967973 AMCSCGYJMSVTTH-UHFFFAOYSA-N 469.416 2.297 30 10 JEEE Cn1cc(C(=O)N2C[C@H](CNC(=O)OC(C)(C)C)C(C)(C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2281972383 ZVEZIBUIDHJOKK-HNNXBMFYSA-N 462.400 2.342 30 10 JEEE Cc1cc(C(=O)N2CCN(C)C[C@H]2CNC(=O)OC(C)(C)C)oc1B1OC(C)(C)C(C)(C)O1 2281979739 FUJUNEYODFJAIJ-MRXNPFEDSA-N 463.384 2.168 30 10 JEEE CCc1nn(C)c(C(=O)NC[C@H]2C=CCN2C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2281985090 HNBQEBWPCGNFOK-OAHLLOKOSA-N 460.384 2.187 30 10 JEEE CC(C)(C)OC(=O)N1CCC([S@](C)(=O)=NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CC1 2281991346 YVNWLIWWFXINPA-XIFFEERXSA-N 482.412 2.346 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)C1CCN(C(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)CC1 2282052925 RFUZTXNCUOIJDQ-HNNXBMFYSA-N 462.400 2.485 30 10 JEEE Cc1nc(C(=O)NC23COC(CNC(=O)OC(C)(C)C)(C2)C3)c(B2OC(C)(C)C(C)(C)O2)s1 2282523749 CGDOEABOGPJXJO-UHFFFAOYSA-N 479.408 2.307 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@]23CCC[C@@H]2N(C(=O)OC(C)(C)C)CC3)n1 2282552845 MZXFRWNZMIMILV-QMHKHESXSA-N 460.384 2.381 30 10 JEEE Cc1nn(C)c(C(=O)N2CCC(N(C)C(=O)OC(C)(C)C)CC2)c1B1OC(C)(C)C(C)(C)O1 2282585286 JZEVOGQDDPBVER-UHFFFAOYSA-N 462.400 2.499 30 10 JEEE Cn1nc(C(=O)NCC[C@H](NC(=O)OC(C)(C)C)C(F)(F)F)cc1B1OC(C)(C)C(C)(C)O1 2282612874 WHKPDFSKOIXZLG-ZDUSSCGKSA-N 476.305 2.295 30 10 JEEE COC1(C(=O)NCc2cc(B3OC(C)(C)C(C)(C)O3)ccc2F)CN(C(=O)OC(C)(C)C)C1 2283942400 IRNUOWHAHALAQG-UHFFFAOYSA-N 464.343 2.377 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C 2283965679 XWFUIXJROKHIEN-WBVHZDCISA-N 462.352 2.303 30 10 JEEE CN(Cc1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(=O)[C@@H](F)C1(O)CN(C(=O)OC(C)(C)C)C1 2284059998 XGDZEOHXKYLNEH-MRXNPFEDSA-N 484.399 2.326 30 10 JEEE C=CCN1C(=O)[C@@]2(C(=C(O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCOC)c2ccccc21 2296173552 OFZRXVMZYOLWRA-SANMLTNESA-N 476.485 2.213 30 10 JEEE C=C(Br)CS(=O)(=O)NCc1c(Br)c(Br)nn1C 2301215078 WOYOMYPYIVCTCX-UHFFFAOYSA-N 451.966 2.273 30 10 JEEE CC(C)(C)OC(=O)NC[C@H](CO)C(=O)Nc1cc(F)c(B2OC(C)(C)C(C)(C)O2)c(F)c1 2341195935 KGXYPZSDVZVEPO-GFCCVEGCSA-N 456.295 2.336 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1 2362351562 HCQOWGUIWWEZFU-CVEARBPZSA-N 460.384 2.191 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CCC1(C)C 2362356756 UCJJUDMIWIESAA-OAHLLOKOSA-N 462.400 2.485 30 10 JEEE COc1ccc(C(=O)/C(C#N)=c2/s/c(=C\c3cc(Cl)c4c(c3)OCO4)c(=O)n2C)cc1 9894546 UXLJJFFWRKCUQQ-FEKBMPMBSA-N 454.891 2.223 30 10 JEEE N#Cc1ccccc1S(=O)(=O)N1CCC(c2nc(=O)c3nnn(Cc4ccc(F)cc4)c3[nH]2)CC1 20463110 PUDHPBPQUOERSE-UHFFFAOYSA-N 493.524 2.142 30 10 JEEE CC(=O)C1=C(OC(=O)CN2C(=O)c3ccccc3C2=O)c2ccccc2S(=O)(=O)N1C(C)C 20894040 PMNOMRJMPQWDGB-UHFFFAOYSA-N 468.487 2.196 30 10 JEEE Cc1c(/C=C2/SC(=S)N(CCC(=O)O)C2=O)c(N2CCC(C)CC2)n(C)c(=O)c1C#N 33811941 XJZGMVRKIHQPNU-MHWRWJLKSA-N 460.581 2.478 30 10 JEEE COCCn1cc(/C=N/Nc2nnc(SCc3cccc(Br)c3)n2N)cn1 59914022 OKJMGSBGSIXZPY-UFWORHAWSA-N 451.354 2.336 30 10 JEEE CCCCCCCOc1ccc(C(=O)NC(=S)N2CCNC(=O)[C@@H]2CC(=O)OCCOC)cc1 100172317 VWCSLHMEHHLYFD-FQEVSTJZSA-N 493.626 2.431 30 10 JEEE Cc1nn(C)c(C)c1/C(O)=C1/C(=O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1cccc(F)c1 102752185 HNHYBKGYMOGONO-SADKCHQCSA-N 456.518 2.320 30 10 JEEE C=CCN(CCO)C(=O)c1cc(I)cc(I)c1O 135907611 FNAOLVLKVOBBOJ-UHFFFAOYSA-N 473.048 2.222 30 10 JEEE COc1ccc(N2CCCC2=O)cc1S(=O)(=O)OCCCN1C(=O)c2ccccc2C1=O 169875685 OBTMXUBXHKWZED-UHFFFAOYSA-N 458.492 2.214 30 10 JEEE N#Cc1ccc(N2CCN(C(=O)Nc3ccc(S(=O)(=O)C[C@H]4CCCO4)cc3)CC2)nc1 609436323 IVYNTSBGXFMXRV-LJQANCHMSA-N 455.540 2.260 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)N3CCN(Cc4cccs4)CC3)cc2C1=O 754571566 IIOIRLZBXPYCCI-UHFFFAOYSA-N 453.520 2.031 30 10 JEEE C#CC[C@H](NC(=O)[C@H](CCN(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 757565522 YJXZORXFRJHJMR-GOTSBHOMSA-N 463.534 2.438 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(CC)CC)n2C[C@H]2CCOC2)c1 1286310131 XAZBTBWNZKNCST-GOSISDBHSA-N 452.559 2.289 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@H](C)Oc1ccccc1C)[C@H]1CCS(=O)(=O)C1 1286389805 RDIIZOLODROURX-ICSRJNTNSA-N 468.583 2.081 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1CCc1cccnc1)[C@@H]1CCS(=O)(=O)C1 1286394961 PZZJZRLTOFBHIS-HXUWFJFHSA-N 453.543 2.272 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1cc(F)cc(OC)c1)[C@H]1CCS(=O)(=O)C1 1286395678 STGNMMBFINYGHE-FQEVSTJZSA-N 469.542 2.087 30 10 JEEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2C[C@@]2(N(C)C)CCSC2)CC1 1286483326 GZXWPVQNGXHFQZ-DEOSSOPVSA-N 454.644 2.092 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2C[C@H](C)O[C@@H](C)C2)CC1 1286492581 MVMJDACANKOSNN-PMACEKPBSA-N 467.618 2.309 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCNC(=O)C(C)C)CC1 1286493470 VUAYLPIHWCERKZ-UHFFFAOYSA-N 480.613 2.212 30 10 JEEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@H](CCN2CCCC2=O)c2ccccc21 1286768963 IWEZWKJOGHDXQJ-SJORKVTESA-N 458.588 2.322 30 10 JEEE C[C@@H]1CN(CCCn2c(-c3cccc(C#N)c3)nnc2N2CCC(CC(N)=O)CC2)C[C@@H](C)O1 1291289332 IECVVMWABBDBEY-RTBURBONSA-N 465.602 2.408 30 10 JEEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CCNC(=O)c1cccc(OC)c1 1300320835 IJTMJHFFSRICSD-INIZCTEOSA-N 466.567 2.166 30 10 JEEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 1300336343 DFUCYELCPVTYAX-LJQANCHMSA-N 464.636 2.051 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccc(F)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 1300496534 SBPNAJJQWVSPCU-CVEARBPZSA-N 452.939 2.250 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1nccn1C(F)F 1300561219 MIMZKBLJWOOQRZ-UHFFFAOYSA-N 458.494 2.451 30 10 JEEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(-n2ccnc2C)c(F)c1 1300601953 MRBUFBFUPDLIDR-HNNXBMFYSA-N 459.551 2.029 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H](NC(=O)OC(C)(C)C)C(C)C)CC1 1300686170 YAOPOPPMEKLSMB-NBGIEHNGSA-N 490.649 2.235 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2CCNC(=O)c2ccc(C)cc2)CC1 1300712891 XJTRATPOXFADCH-IBGZPJMESA-N 450.587 2.496 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCOC(C)(C)C)CC1 1300717106 YPSLGIKWRZWFFB-XMMPIXPASA-N 461.607 2.100 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCN(C)C2CCCCC2)CC1 1300727279 VRKNLNDEVFBZBS-OAQYLSRUSA-N 456.635 2.402 30 10 JEEE C#CCSCCn1c(Cc2cccnc2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1300766526 DYAXYHMTBLMKJT-OFNKIYASSA-N 481.670 2.009 30 10 JEEE C=C(Cl)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H](OCCOC)C1 1301019405 JJCNYWDBKULGHK-QGZVFWFLSA-N 469.995 2.190 30 10 JEEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1301189158 SEDCHXDQNSIFSM-GOSISDBHSA-N 470.661 2.474 30 10 JEEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 1301198156 YARCIJKRSFOBAB-NHCUHLMSSA-N 471.650 2.297 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CC[C@H](CN(CC)CC(F)(F)F)C1 1301501350 VELVKEWPRQXRMS-SJORKVTESA-N 458.529 2.185 30 10 JEEE C=CCOc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(CC)C(C)C)cc1 1301524362 BVDDMJPJIHZNSQ-HXUWFJFHSA-N 463.604 2.459 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1301576674 XSFQMESPLVYBRR-FDDCHVKYSA-N 476.599 2.329 30 10 JEEE CC(=O)Nc1c[nH]nc1[C@H]1CCCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C1 1307671708 GKJHGCRNVCQZDS-HKUYNNGSSA-N 455.588 2.018 30 10 JEEE COc1ccc(OC)c([C@@H](O)CNS(=O)(=O)c2cc(Br)c(C#N)cc2F)c1 1309222530 CEDULIUDEZVPBB-HNNXBMFYSA-N 459.293 2.489 30 10 JEEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1cccc(N2CCCS2(=O)=O)c1 1312451257 FTDPPGPHOSYZAV-UHFFFAOYSA-N 455.584 2.372 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2=O)C1 1312616870 PCQPWMWTPXVKGV-HBFSDRIKSA-N 450.580 2.221 30 10 JEEE CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(Cc2cscn2)CC1 1313547370 HAKRAHSVAMGLST-UHFFFAOYSA-N 450.572 2.074 30 10 JEEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1Cc1ccc([C@H](C)O)cc1 1314393225 BMWKKTDYJVBKEF-MSOLQXFVSA-N 462.558 2.293 30 10 JEEE CN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCC=CO1)C1CCN(S(C)(=O)=O)CC1 1314683254 HPFITNBRDJNNGP-FQEVSTJZSA-N 456.572 2.370 30 10 JEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2cc(S(C)(=O)=O)ccc2CC)c1 1351602100 PUFYEYXYDWSLQS-UHFFFAOYSA-N 454.548 2.139 30 10 JEEE C#CCCCCn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 1358912204 LCHCBUXFRLKIBL-ATKRNPRHSA-N 456.635 2.402 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccco1 1359016822 MUVZHGFJFMUGJU-HXUWFJFHSA-N 473.530 2.031 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2C[C@]2(OC)CCOC2)CC1 1359033203 TZFWLGNALIDLRV-JOCHJYFZSA-N 490.402 2.277 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2CCC(=O)N2CCCCC2)CC1 1359046566 XAOYJUOHTDYDPZ-UHFFFAOYSA-N 492.624 2.246 30 10 JEEE C=C(C)Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](C(=O)OC)[C@H](CNC(=O)OC(C)(C)C)C1 1359123831 QKPFSSQIKPHPLS-RTBURBONSA-N 487.605 2.466 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1359274251 HEJUUDFDFJHCCD-OAQYLSRUSA-N 486.642 2.031 30 10 JEEE C=CCN(CCOC)c1nnc(-c2cccn2C)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1359280037 BSGTYDLWHYZPTR-OALUTQOASA-N 462.620 2.127 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCC(C)(c2nc(C)no2)CC1 1359304844 LFWHRADMOMEMSM-UHFFFAOYSA-N 481.557 2.417 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1C[C@@H](OC)C(C)(C)C1 1359335403 KUIZBMDVYRABBE-GOSISDBHSA-N 452.552 2.458 30 10 JEEE C[C@H]1CCCN([C@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CC(=O)N2CCOCC2)C1 1493694307 BDKZZWPSMIADPY-VQTJNVASSA-N 465.602 2.232 30 10 JEEE CCN(CC)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)COC)CC1 1501780206 GUJUZJGZWHNTGU-LJQANCHMSA-N 453.591 2.090 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1507629706 WDXADTRLCXJXJM-NRFANRHFSA-N 463.567 2.039 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCC1(COC)CCCC1)[C@H]1CCS(=O)(=O)C1 1507633720 UUKPVSXDPUPEIT-UXHICEINSA-N 464.632 2.396 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCCN(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1507633866 KERWKZPXPFZKNG-NRFANRHFSA-N 461.607 2.365 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1Cc1ccc(-n2ccnc2)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1507634312 MJXITUUCRCPNCN-LJQANCHMSA-N 470.574 2.476 30 10 JEEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1CCc1nccs1)[C@H]1CCS(=O)(=O)C1 1507639627 LMLWYKWOMYOTRF-KRWDZBQOSA-N 487.607 2.192 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1CCN1CCSCC1 1507703921 JFEMJAUCYCFJKQ-UHFFFAOYSA-N 467.437 2.181 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(CCC(N)=O)CC1 1507803473 FYHSDHWIDVZVNL-NQIIRXRSSA-N 467.574 2.389 30 10 JEEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1507833282 IAFGNIZQEDJKND-QUCCMNQESA-N 485.658 2.225 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1508076882 IJXIIEWHIDHAEQ-OAQYLSRUSA-N 480.613 2.372 30 10 JEEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1508095335 NLPBCZSRGVMLIS-KBMIEXCESA-N 469.586 2.148 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H]3CCOC3)nnc2N2CCC(NC(=O)COC)CC2)cc1 1508099998 AXGZVOVUNNGSCO-LJQANCHMSA-N 455.559 2.127 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(CS(C)(=O)=O)cc2)C1 1508115488 ASMWJKWREDBVPK-HXUWFJFHSA-N 456.572 2.053 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC(CN(C)C(=O)OC(C)(C)C)CC1 1508140854 JYGLWDGTCHJCJD-IBGZPJMESA-N 497.662 2.466 30 10 JEEE COCCN(C)CCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](C#N)C1 1519113192 CMZWNOHBWWQXOT-MOPGFXCFSA-N 477.610 2.047 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccc(C)nc1)[C@H]1CCS(=O)(=O)C1 1539205041 FRDSHKSRYFTORU-KRWDZBQOSA-N 489.399 2.414 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCN(CCC)C1 1539315428 MJSPAECJBDYPOB-HXUWFJFHSA-N 457.582 2.387 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1cn2ccsc2n1 1539399195 FYDUUJCKNVEPQU-UHFFFAOYSA-N 499.622 2.039 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCN2CCOC[C@@H]2C)CC1 1539474348 PGGRMEPFIVCTLP-SFHVURJKSA-N 471.005 2.285 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CCO)CCc1ccccc1 1539633221 XHGIXMDLZUWRMR-BDTNDASRSA-N 474.627 2.203 30 10 JEEE C=CCCCCn1c(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)nnc1[C@]1(OC(C)C)CCOC1 1539975228 PBRORVXVTHUODL-OFVILXPXSA-N 474.650 2.418 30 10 JEEE C=CCCOCCn1c([C@@H]2CCCCO2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1540036020 JPNVARHLIXRZBL-RTWAWAEBSA-N 460.623 2.245 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](c2nc(C)c(C)s2)C1 1540862135 RWFXYYQXSOILDZ-QGZVFWFLSA-N 457.604 2.274 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1540864315 WEQOVUWQJRAMPI-NRFANRHFSA-N 487.612 2.362 30 10 JEEE C=CCOc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)CC(F)(F)F)cc1 1540878036 MHHXVNWAXAVEHU-QGZVFWFLSA-N 489.520 2.223 30 10 JEEE C=CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@H](C(=O)OC)C1 1540912660 ACGVWQODSGWWNC-OAHLLOKOSA-N 454.556 2.111 30 10 JEEE C[C@H]1OCC[C@]1(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1545145164 CGKFOLXEZXZPNU-OSPHWJPCSA-N 452.559 2.051 30 10 JEEE CNC(=O)C(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2ccccn2)CC1 1554377504 DEWMKNNXPKQABS-UHFFFAOYSA-N 474.569 2.223 30 10 JEEE C#CCN(c1nnc(C2CCCC2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1588054914 PWYSYMUSHMYTHB-ZJOUEHCJSA-N 477.675 2.450 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1oc(CCC)nc1C)[C@H]1CCS(=O)(=O)C1 1588069077 GXXZBZVXVCMZIV-IBGZPJMESA-N 485.614 2.064 30 10 JEEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1CCO[C@@H](C)C1 1588646345 IXYFTFAFJCMZFQ-VQTJNVASSA-N 453.591 2.353 30 10 JEEE C#CCN1CCN(c2nnc(-c3cnccn3)n2C[C@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)CC1 1588806215 JTUMTWVXWDIZJV-QUCCMNQESA-N 466.590 2.136 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2Cc2ccc(OC)c(O)c2)CC1 1588929594 DKHNZLUIZHJNIR-OAQYLSRUSA-N 453.543 2.248 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCOC2)CC1 1588962209 XWMQYSRAKDDRBU-FQEVSTJZSA-N 462.554 2.121 30 10 JEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 1588975966 NYYCWAWKPPQHKJ-GOSISDBHSA-N 473.578 2.322 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1nc([C@@H](C)OCC)no1 1589528552 HETDUVGSERPSCT-JEWRLFTDSA-N 459.551 2.327 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1589547726 VJTDNWRRSDHALN-WIYYLYMNSA-N 453.591 2.278 30 10 JEEE C=CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1594733540 UXARMHNSVGMODP-BZSNNMDCSA-N 460.579 2.268 30 10 JEEE C=CCn1c(CCc2ccc(OC)cc2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1595427946 AQBOEEJOZZUWAA-HXUWFJFHSA-N 452.603 2.391 30 10 JEEE CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)CN(C)C)CC1 1613441036 BEVLEGMMTPENDH-HXUWFJFHSA-N 480.661 2.441 30 10 JEEE COc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1CCNC(=O)c1cccs1 1619452773 GHKGQUCQQPXVJP-INIZCTEOSA-N 468.539 2.086 30 10 JEEE COC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CCN2[C@H](C)CC[C@H]2C)CC1)OC 1619598084 FPHVNOOONLJKQQ-LGVFNWMJSA-N 481.645 2.473 30 10 JEEE C#CCC1(NC(=O)c2cc(Br)cc(S(=O)(=O)N3CCOCC3)c2F)CCC1 1645146764 MYLGMBUPCJLMNN-UHFFFAOYSA-N 459.337 2.285 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@]1(O)CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1689982719 SMIOVRZHONQEEP-PTSWNOGYSA-N 496.431 2.214 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1689983379 AJLVYKRZRYUXGA-HSALFYBXSA-N 489.642 2.361 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1CCCN(C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1689985967 GEIFGEMYGODMSZ-QFIPXVFZSA-N 480.638 2.432 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCCN1CCOCC1 1690043881 RDTPBSDPBUEYGM-UHFFFAOYSA-N 487.608 2.250 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccccc2F)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1690249363 XJPDDSZLPDCFOW-XNSSQMBPSA-N 458.534 2.349 30 10 JEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C[C@@H]2CCOC2)C1 1690508888 RZYGFVVGLSBWBU-HSALFYBXSA-N 452.621 2.416 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 1690669340 AYULYJXPOHSWFG-VQIMIIECSA-N 461.588 2.423 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N(C)CC(=O)Nc1cccc(C)c1C 1690722514 MBQDYVXKYMGOCK-UHFFFAOYSA-N 469.571 2.028 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1690723064 GJMKFSUEGIGFTA-FQEVSTJZSA-N 484.630 2.374 30 10 JEEE CC(C)NS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](CN2CCCCC2)C1 1692571293 AMALFQXTKJJEEF-OAQYLSRUSA-N 485.658 2.457 30 10 JEEE C[C@@H]1OCC[C@@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1693870612 FIPUDWQLLVTJHJ-LSRZYVKLSA-N 468.558 2.460 30 10 JEEE CC[C@H]1CCCCN1CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1694843743 GBTPOTDBCBNMNJ-NRFANRHFSA-N 471.631 2.163 30 10 JEEE CCOc1ccc(O[C@@H](C)c2nnc(N3CCO[C@H](C#N)C3)n2CCc2n[nH]c(C)n2)cc1 1696137331 BLCPZAGUURWXLH-HNAYVOBHSA-N 452.519 2.215 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccc(OCC=C)cc1)[C@H]1CCS(=O)(=O)C1 1705572162 SHQVALRNMJWOPW-PZJWPPBQSA-N 456.568 2.369 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCCN1CC 1705583038 PETVAKIWPQITEB-VQTJNVASSA-N 456.591 2.144 30 10 JEEE C#CCN(CC#CC)c1nnc(COc2ccc(C#N)cc2)n1Cc1ccc(-n2cncn2)nc1 1705601917 ZEUKBAIVAYTMAI-UHFFFAOYSA-N 463.505 2.216 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC2(SC)CC2)CC1 1705640390 PPSPEUSGVHUNBH-GOSISDBHSA-N 476.647 2.237 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC2CCN(C(C)=O)CC2)CC1 1705643484 HQFWQIINEDPAMU-FGZHOGPDSA-N 456.635 2.210 30 10 JEEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccc(O)cc2C1 1705806037 VJYPQRWKVWKQPN-HXUWFJFHSA-N 461.588 2.236 30 10 JEEE C=CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1705825643 YVIGBWPKPPVIHY-HKUYNNGSSA-N 496.659 2.244 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CN2CCCC2=O)n1CCN1CCN(C)C(C)(C)C1 1705860853 PDRNDFHNBOSBPY-UHFFFAOYSA-N 490.656 2.491 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c(-c2cnccn2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1)C(C)C 1705867981 YWSJSJQSWYZKLT-DYXWJJEUSA-N 466.590 2.368 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCO[C@](C)(CC)C1 1705895411 GMCWDBKGVQUZLK-HSZRJFAPSA-N 459.547 2.278 30 10 JEEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2nccnc2C)CC1 1705948182 JZMMWZMTASCISV-UHFFFAOYSA-N 453.620 2.484 30 10 JEEE COC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1711484494 COJHUMCSEIJZOU-UHFFFAOYSA-N 478.557 2.299 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@]1(C)CCCS1)[C@@H]1CCS(=O)(=O)C1 1722365803 PKOADJYCUZFDCI-COPCDDAFSA-N 482.672 2.231 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC(OCC(N)=O)CC1 1722496523 XTDZQNOVRZVXTF-GAJHUEQPSA-N 485.585 2.414 30 10 JEEE C=CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 1722687834 MWTKVOUNPBCOKD-NQIIRXRSSA-N 454.623 2.143 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC1(N2CCOCC2)CCCCC1 1723940714 CLRZHTHRSYZYCA-UGKGYDQZSA-N 493.678 2.053 30 10 JEEE Cc1nn(C)c(N2CCN(c3nnc(C(C)C)n3CCCN3C[C@H](C)O[C@H](C)C3)CC2)c1C#N 1725860498 CJKTYUQOAFERQW-KDURUIRLSA-N 469.638 2.141 30 10 JEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCc1cccc(C(=O)NC)c1 1740602582 WXIHHNNXVWFYCN-UHFFFAOYSA-N 479.610 2.218 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@H]1CCCN1CC)[C@H]1CCS(=O)(=O)C1 1740618407 HARVHEQPFMMDCB-UXHICEINSA-N 457.600 2.065 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1cc(OC)ccc1OC(F)F)[C@H]1CCS(=O)(=O)C1 1740626230 KKLBXAFVGVFMHZ-WBVHZDCISA-N 496.536 2.067 30 10 JEEE C#CCN(c1nnc(COc2ccccc2OC)n1C[C@H](C)SC)[C@@H]1CCS(=O)(=O)C1 1740627563 IOZHDTBUYPNDNL-DLBZAZTESA-N 464.613 2.244 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1cnn(CC(C)C)c1C 1740639076 QHYIBAFESIVUEJ-UHFFFAOYSA-N 468.565 2.474 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(OCC)c(OC)c2)CC1 1740689330 AYYYWNUVGMEUGG-UHFFFAOYSA-N 475.553 2.136 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC(C)(C)N2CCC[C@H](C)C2)CC1 1740690397 TWJQMSFMFRIYQL-FQEVSTJZSA-N 464.618 2.191 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2CC2CCN(C(C)=O)CC2)CC1 1740699622 NITXAIRMWMRLEH-UHFFFAOYSA-N 450.587 2.179 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2C[C@H]2CCCN2c2cc(NC)ncn2)CC1 1740702275 KLFNQMDGTHTNGA-UYAOXDASSA-N 479.633 2.258 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(F)c(Cl)c2)CC1 1740706167 QJTXZSOSXOZXPE-SFHVURJKSA-N 458.925 2.036 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccnc1OCC(F)F 1740731265 TWQPYOHSOQOYHO-IIBYNOLFSA-N 465.526 2.260 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC(C)(C)C(=O)NC 1740733673 JSVWJGINSNMVKP-HHHXNRCGSA-N 477.657 2.407 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CCCO)CC1 1740850700 JKQLRIYAWBJCLG-LJQANCHMSA-N 469.652 2.202 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCCOC2)n1CCN1CCN(C(C)=O)CC1 1740937803 PHHGZINTHYHDRM-OAQYLSRUSA-N 456.591 2.164 30 10 JEEE C=CCn1c(N2CCN(CC(=O)Nc3c(C)cccc3C)CC2)nnc1[C@]1(OCC)CCOC1 1740949599 MFUNUAVINOATIP-VWLOTQADSA-N 468.602 2.494 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1740990357 RQMXYXQLDBNXTM-GOSISDBHSA-N 455.588 2.052 30 10 JEEE COc1cc(Cl)ccc1-c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1748550781 ASPDHVGJMAMJDK-JLTOFOAXSA-N 482.969 2.331 30 10 JEEE C#CCN(c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@H](CC)OC)[C@H]1CCS(=O)(=O)C1 1748808284 JGCKEJOJGTWPKV-OALUTQOASA-N 468.583 2.387 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@@H](C)N(C)C1CC1)[C@@H]1CCS(=O)(=O)C1 1748823776 BJSFSGCNNIPKDJ-YLJYHZDGSA-N 475.590 2.106 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 1748959554 WQNNAAGRMHUEIV-SFHVURJKSA-N 455.563 2.468 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@]1(O)CCC[C@H]1C 1748960257 FOLBWOIPQQHCLV-IQGLISFBSA-N 464.570 2.312 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC[C@H]2CCO[C@@H](C)C2)CC1 1749003589 ODOULRBGOCDDHB-WOVHNISZSA-N 487.645 2.490 30 10 JEEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1749049235 GKTMGVRVOQITNA-OALUTQOASA-N 482.672 2.306 30 10 JEEE C=C(Br)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1749090488 SDYRGRXQMSJZLS-LBPRGKRZSA-N 475.800 2.372 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccc2F)nnc1N1CCN(CCOC)C(=O)C1 1749134086 UJYZYWPUNROKID-XXBNENTESA-N 457.550 2.284 30 10 JEEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(NC(=O)N(C)C)cc1)C1CC1 1749519696 QICARJRUJWWXME-QGZVFWFLSA-N 458.588 2.477 30 10 JEEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1749609611 WQFAGSHSMULSFF-IBGZPJMESA-N 482.614 2.277 30 10 JEEE C=CCOc1ccccc1Cn1c(Cc2ccncc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1749690490 XLLZSFRZPLAVAF-NHCUHLMSSA-N 463.538 2.237 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1C[C@@H](c1cccc(F)c1)N(C)C 1751198329 HQJQTQZHXHBPGA-VKJFTORMSA-N 451.572 2.069 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1C[C@@H]1CCC[C@H](O)C1 1751202360 CITLYEKYFNPELP-SCWSEQNSSA-N 472.615 2.480 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1Br 1760210830 XNNXGGAWOGYNNJ-HNNXBMFYSA-N 464.389 2.162 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(c2cccc(OC)c2)CC1 1760249525 NGHWHWAEUJTGIE-SFHVURJKSA-N 458.584 2.007 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(F)c(Cl)c2)CC1 1760264874 HIZCBSQWNWAHKD-UHFFFAOYSA-N 472.952 2.321 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2CCSC2)CC1 1760265530 DEXLEEPALDWNFY-JPYJTQIMSA-N 461.632 2.038 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H](C)CC(N)=O 1760322327 QZMPXJIAJRCZRP-XFKSJGNHSA-N 492.621 2.268 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(=C)c2ccccc2)C1 1760544084 VNHARCPTJRYKNM-NHCUHLMSSA-N 473.599 2.106 30 10 JEEE CC(=O)N1CCN(CCn2c(-c3ccc(C#N)cc3)nnc2N(C)CC2CC(F)(F)C2)CC1 1760620969 VXPQCMACTVGYDM-UHFFFAOYSA-N 457.529 2.462 30 10 JEEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCC(CC#N)CC3)n2C[C@@H]2CCC(F)(F)C2)C1 1771360324 BNRZRYGDRJZFOR-SJORKVTESA-N 472.562 2.176 30 10 JEEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(O)c(O)c2)ccc1F 1862503325 VPCWICNYPBVROW-OAQYLSRUSA-N 456.470 2.456 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)Nc2cccc(C(C)=O)c2)cn1CCNC(C)=O 1870647459 GWVQFIFKFUULPY-UHFFFAOYSA-N 480.565 2.379 30 10 JEEE C=CCN1C[C@@H](C(=O)N2CCC(C(=O)NC[C@H](c3ccccc3)N3CCCC3)CC2)CC1=O 1872917531 DGCXFTZLQJXNPH-XZOQPEGZSA-N 452.599 2.213 30 10 JEEE C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@]1(C(=O)O)CC[C@@H](CNC(=O)OC(C)(C)C)C1 2059567929 GTCSVBHXUGMSSJ-ZCCHDVMBSA-N 453.536 2.167 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N[C@@]1(CO)CCCN(C(=O)OC(C)(C)C)C1 2060136133 WFJQUVGZMNHXDF-AOMKIAJQSA-N 454.568 2.452 30 10 JEEE CC(C)(C)OC(=O)NCCc1n[nH]cc1C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2235323643 CYCDWLDAJIXJSN-UHFFFAOYSA-N 457.340 2.423 30 10 JEEE CC1(NS(=O)(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)CN(C(=O)OC(C)(C)C)C1 2255752614 KONXMNKPBSZRLH-UHFFFAOYSA-N 452.382 2.274 30 10 JEEE CC1(C)OB(c2scnc2C(=O)NC[C@H]2CN(C(=O)OCc3ccccc3)CCO2)OC1(C)C 2255811032 PCWPOEMRQRXHBO-KRWDZBQOSA-N 487.387 2.210 30 10 JEEE C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)n1 2256619494 ZJBPWHFNERTYPH-FZMZJTMJSA-N 455.748 2.247 30 10 JEEE CC(C)(C)OC(=O)NCCCC[S@](C)(=O)=NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2267140520 CQZZYIGUIZPITH-YTTGMZPUSA-N 470.401 2.252 30 10 JEEE Cc1ccc(S(=O)(=O)N[C@H]2CON(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2267353644 MDTKYGWYPNOSDL-OAHLLOKOSA-N 468.381 2.123 30 10 JEEE CC(C)(C)OC(=O)NC1(CNC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2Cl)COC1 2267540185 QDPMNJBQNBFGOL-UHFFFAOYSA-N 467.759 2.058 30 10 JEEE CC1(NC(=O)OC(C)(C)C)CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)c(F)c2)C1 2267705452 YEDOKBVXBIORSB-UHFFFAOYSA-N 470.372 2.413 30 10 JEEE CC(C)n1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O 2281821978 HIKKCHYALLVLJX-AEFFLSMTSA-N 463.384 2.078 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CCC1(F)F 2281925940 IUFLEWSYQJVGDJ-CQSZACIVSA-N 470.326 2.474 30 10 JEEE CC[C@@]1(CNC(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)CCCN1C(=O)OC(C)(C)C 2281950869 BPYGVYYBDHEFFX-QFIPXVFZSA-N 463.388 2.024 30 10 JEEE CN(C)CCCN(CCNC(=O)OC(C)(C)C)C(=O)c1coc(B2OC(C)(C)C(C)(C)O2)c1 2282052905 DNJFLBSMGKJSQS-UHFFFAOYSA-N 465.400 2.497 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1C[C@H](O)C[C@@H](NC(=O)OC(C)(C)C)C1 2282120492 HWEGFKAKXBFXKJ-QZTJIDSGSA-N 460.380 2.394 30 10 JEEE Cc1ccc(C(=O)NCC2(CO)CN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2282121762 UPVOORFKUSFRHY-UHFFFAOYSA-N 460.380 2.253 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)C[C@@]12CCOC2 2282151784 WCBNESTZNFOWIR-JLCFBVMHSA-N 479.408 2.341 30 10 JEEE C[C@H]1CCN(S(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CCN1C(=O)OC(C)(C)C 2282351641 DBTZMBCWFBLAMI-INIZCTEOSA-N 481.424 2.401 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](CNC(=O)c2occc2B2OC(C)(C)C(C)(C)O2)OCC12CC2 2282537845 WYNIIFIBOCYTMC-HNNXBMFYSA-N 462.352 2.477 30 10 JEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)N(C(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)C1 2282589781 SATQTGKHZKHSDX-JKSUJKDBSA-N 462.400 2.437 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2CC[C@H]1CN2C(=O)OC(C)(C)C 2282606826 SEYDHCBHHMEHBD-JKSUJKDBSA-N 460.384 2.426 30 10 JEEE Cn1nc(C(=O)N2CCC(C)(CNC(=O)OC(C)(C)C)CC2)cc1B1OC(C)(C)C(C)(C)O1 2282619894 XREMLUBKPYRRET-UHFFFAOYSA-N 462.400 2.486 30 10 JEEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCN(Cc2ccccc2)C2(CC2)C1 2282696153 ZDCMBPLRPKFGTE-GOSISDBHSA-N 451.380 2.041 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2CN(S(=O)(=O)Cc3ncsc3B3OC(C)(C)C(C)(C)O3)C[C@@H]2C1 2282830978 CQBCEHFDNMSLBS-GJZGRUSLSA-N 499.464 2.071 30 10 JEEE C[C@@H]1C[C@H](NC(=O)C(F)(F)F)CCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1O 2282977596 DCJPDGXBFAJDCD-TZMCWYRMSA-N 456.270 2.363 30 10 JEEE CN(Cc1ccccc1)C[C@@H](NC(=O)c1ccc(F)cc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284423351 QIQNWDWNUHONPH-HXUWFJFHSA-N 456.323 2.440 30 10 JEEE CCc1nc(C(=O)N(C)CC2(O)CN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2287302444 UXDFKIWVCGNPQI-UHFFFAOYSA-N 481.424 2.059 30 10 JEEE CC#CCN(CC(=O)N[C@@]1(C(=O)O)CCCN(C(=O)OC(C)(C)C)C1)C(=O)OC(C)(C)C 2316063219 MPDHJDMWSFZJEL-QFIPXVFZSA-N 453.536 2.217 30 10 JEEE COc1cc(C=Nn2c(CCc3ccc(OC)c(OC)c3)nnc2SCC(N)=O)ccc1O 2326182977 HIBLKRUXLSBEGM-UHFFFAOYSA-N 471.539 2.254 30 10 JEEE CC(=O)NCc1nnc(SCC(=O)NC2CCCCC2)n1N=Cc1ccccc1[N+](=O)[O-] 2330770213 CRJAGDLBLBEHIF-UHFFFAOYSA-N 459.532 2.246 30 10 JEEE CON(CCNC(=O)c1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1O)C(=O)OC(C)(C)C 2339401001 DTMNQRDEFMUFAX-UHFFFAOYSA-N 454.304 2.359 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2cc(F)c(B3OC(C)(C)C(C)(C)O3)cc2O)CO1 2339450287 QHGWBRALDKMNEY-LBPRGKRZSA-N 452.288 2.111 30 10 JEEE CO[C@H]1C[C@H](CN=c2cc(B3OC(C)(C)C(C)(C)O3)c(F)c[nH]2)N(C(=O)OC(C)(C)C)C1 2345716281 XNFGWOJLCULSKZ-CABCVRRESA-N 451.348 2.378 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCN(c2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)C[C@H]1CO 2345725210 UTKFXMCBJWLAPD-WMLDXEAASA-N 451.348 2.232 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H](C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)n1C 2362487025 LVDRDNOQKBUBPH-ZBFHGGJFSA-N 462.400 2.403 30 10 JEEE CC(C)(C)OC(=O)NC[C@@]1(CO)COCCN1c1ncc(Cl)cc1B1OC(C)(C)C(C)(C)O1 2364854106 PZQWGPYDCKJTKN-JOCHJYFZSA-N 483.802 2.127 30 10 JEEE COc1cccc(NC(=O)CSc2nnc(N/N=C/c3cc(OC)c(OC)c(OC)c3)n2N)c1 20827226 KNLHOZJHEHAUCP-FOKLQQMPSA-N 487.542 2.203 30 10 JEEE COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(O)c(OC)c2)c(C)c1 102532857 IDLMCMDFUATABP-FEYWKWKCSA-N 482.533 2.472 30 10 JEEE COc1cc([C@@H]2/C(=C(/O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN(C)C)cc(OC)c1OC 102706901 GHYXCKVXLRSMTF-RKKARLDVSA-N 498.532 2.467 30 10 JEEE C=CC[C@@H](NC(=O)c1cc(I)cc(I)c1O)C(=O)O 150079267 VQJDFDASVLDJNI-SECBINFHSA-N 487.031 2.361 30 10 JEEE CC(C)CC(=O)N1CCN(C(=O)CCCCCNS(=O)(=O)c2ccc(F)c(C#N)c2)CC1 488640969 CGGOQOWBMBLOFY-UHFFFAOYSA-N 466.579 2.253 30 10 JEEE Cc1cc(C)c(C#N)c(SC2=C(N3CCN(CCO)CC3)C(=O)N(c3ccccc3)C2=O)n1 526694268 HXCAMAZTMOIBCK-UHFFFAOYSA-N 463.563 2.057 30 10 JEEE COc1cc(C(=O)NC2CCC(OS(C)(=O)=O)CC2)c(Br)c(OC)c1OC 586508440 WAKRRLJDKOQMBX-UHFFFAOYSA-N 466.350 2.492 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)N2CSC[C@H]2C(=O)Nc2ccc(C#N)cc2)ccc1F 749620581 NSRPAYVLRVLRJG-SFHVURJKSA-N 474.539 2.315 30 10 JEEE CC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3CCN(c4ncccc4C#N)CC3)cc21 917866256 CLBXHRREIPZUGC-UHFFFAOYSA-N 490.383 2.136 30 10 JEEE Nn1c(NN=Cc2cccc3ccccc23)nnc1SCC(=O)Nc1ccc2c(c1)C(=O)NC2=O 1083976181 YLNBHGLGLNUUAZ-UHFFFAOYSA-N 486.517 2.206 30 10 JEEE CCN(C)C(=O)[C@H](C)Sc1n[nH]c(NN=Cc2ccc(OC)c(OCn3cccn3)c2)n1 1084457669 FFLUOHGTKCRGPO-AWEZNQCLSA-N 458.548 2.451 30 10 JEEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccc(OC)c(OCC(=O)NC3CC3)c2)c1 1141760453 ULOSEBDIXOWZKK-UHFFFAOYSA-N 456.520 2.402 30 10 JEEE C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 1230269135 SGSWJUISWWQYSU-STQMWFEESA-N 464.407 2.118 30 10 JEEE C=CCS(=O)(=O)CCNC(=O)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1 1230746642 OUGSTVAYGDSJBD-UHFFFAOYSA-N 458.378 2.410 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2CC2(CS(C)(=O)=O)CC2)c1 1286309200 IBAOFQKNUUMMFF-UHFFFAOYSA-N 480.594 2.165 30 10 JEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 1286323624 KZVQQBHQEHDSFT-MOPGFXCFSA-N 463.648 2.362 30 10 JEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 1286348900 AYLQBZWOOIQSMJ-ROUUACIJSA-N 465.620 2.335 30 10 JEEE C#CCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1286354945 CALZFKSWQQIQPD-DEOSSOPVSA-N 477.657 2.409 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1C[C@H](CCC)OC)[C@H]1CCS(=O)(=O)C1 1286380819 DNPQEWDGTKFKJU-IRXDYDNUSA-N 498.447 2.488 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccccn3)n2CCCS(=O)(=O)Cc2ccccc2)CC1 1286476842 GTHVJZBHBHUWLL-UHFFFAOYSA-N 464.595 2.100 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(N(C)C(=O)OCC)CC1 1286553743 FYKIHYXZNRBILX-HBFSDRIKSA-N 495.646 2.219 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@](C)(O)c1ccccc1)C1CC1 1286737421 LYBFCKRLYGLFPD-NZQKXSOJSA-N 475.615 2.064 30 10 JEEE C=CCn1c(Cc2ccccc2C)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1286775895 MHWCYWAHWBYBHC-AQNXPRMDSA-N 487.626 2.490 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1286789944 AQKBBQLPFISDCG-COXVUDFISA-N 467.448 2.249 30 10 JEEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCN(C)C2)CCN1C(=O)OC(C)(C)C 1291217654 FVSXWPOVYRWBSZ-CJAUYULYSA-N 481.601 2.329 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1CCn1c(O)nc2ccccc21)[C@H]1CCS(=O)(=O)C1 1300485589 XHDOFQZFKTUMPH-SJORKVTESA-N 456.572 2.174 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCC[C@H](O)C1 1300561976 WSDBCKNCCIUTFS-FPOVZHCZSA-N 469.611 2.209 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2cc(Cl)c3c(c2)OCCO3)CC1 1300683025 VHXLHYUSLQJUAN-UHFFFAOYSA-N 487.004 2.425 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCC(C)C)CC1 1300718114 BDVZVVJPFSZPLJ-UHFFFAOYSA-N 486.642 2.207 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(OCC(N)=O)CC1 1300875327 MXMNPJJWCWQYQH-JXFKEZNVSA-N 460.966 2.445 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1300876878 VDNWOSNCSOKRSL-OTWHNJEPSA-N 492.621 2.127 30 10 JEEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 1300950382 BXSWIGMHKMWDSJ-YJBOKZPZSA-N 462.551 2.296 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1301515502 VUTHEDDGBZTKOW-QFIPXVFZSA-N 479.585 2.186 30 10 JEEE C=CCOc1ccc(Cn2c(N3CCN(C(=O)NC)CC3)nnc2[C@@]2(OC(C)C)CCOC2)cc1 1301529127 HDTUCDIQKPYEBF-RUZDIDTESA-N 484.601 2.393 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(c2ccsc2)CC1 1301589863 YWPNHTYOMTXMMU-SFHVURJKSA-N 484.669 2.227 30 10 JEEE C=CCSCCn1c(CC2CC2)nnc1N1C[C@@H]2[C@@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1301617689 GJUNCOFISGJVFU-SQNIBIBYSA-N 497.687 2.276 30 10 JEEE CC(C)C(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2([S@](C)=O)CC2)CC1 1302393058 CHFLYVQEAPHXCV-YTTGMZPUSA-N 454.600 2.423 30 10 JEEE CN1CC[C@@](O)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](NC(=O)C(C)(C)C)C2)C1 1314922600 FXICMYDGOVFNLY-CPJSRVTESA-N 465.602 2.014 30 10 JEEE C#CCCCn1c(-c2ccccc2C)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1358925547 JHUKUGCLHQJYLO-UHFFFAOYSA-N 467.599 2.220 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2cccc(Cl)c2)C1 1358930607 YTUIDOYAEPWTBG-UXHICEINSA-N 494.017 2.256 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1358956535 HFVUXVASFLCOAN-PWHSHALESA-N 464.632 2.383 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H](CC)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1358961035 QOEAWISTLDWUKE-WIYYLYMNSA-N 452.584 2.499 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC(C)(C)NC(=O)OC(C)(C)C)CC1 1359029866 JGKNRDUZCMQYMK-VWLOTQADSA-N 490.649 2.377 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3CC)n2CC(C)(C)N2CCOCC2)CC1 1359039049 VKVHTIGGACBJNF-UHFFFAOYSA-N 466.630 2.286 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCCN1CCC[C@@H](C)C1 1359070418 MGUZZNXJENVWCW-PQNGQFLHSA-N 492.690 2.115 30 10 JEEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1359077493 DAXZCTPILWOBHT-CABCVRRESA-N 456.385 2.406 30 10 JEEE C=C(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1359119594 DIDKNFIJISGHKI-LJQANCHMSA-N 454.531 2.305 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1359291909 DSPJFWPBBZOGPJ-UUOWRZLLSA-N 472.565 2.160 30 10 JEEE C=CCOc1ccccc1Cn1c(N2CCN(C(C)=O)CC2)nnc1[C@]1(OCC)CCOC1 1359311193 UBVXFWADUADALC-DEOSSOPVSA-N 455.559 2.212 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(N3CCOCC3)c(F)c2)C1 1359312316 RSLQCGBKJMUWEI-IBGZPJMESA-N 472.565 2.222 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN(c2ccccc2C#N)CC1 1359330012 CTFXCDODVVHBPB-UHFFFAOYSA-N 463.567 2.139 30 10 JEEE CCO[C@]1(c2nnc(N3CCCN(c4ccccc4C#N)CC3)n2CCCC(=O)N(C)C)CCOC1 1502707533 DEVVDKXRMQKVGO-AREMUKBSSA-N 495.628 2.387 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2CCC(=O)NC(C)(C)C)c1 1507550388 JZHDTKXPIBAUMQ-SFHVURJKSA-N 452.559 2.143 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2CCC(=O)NC(C)C)c1 1507553133 XKDSOXQQCNJMAN-UHFFFAOYSA-N 459.554 2.235 30 10 JEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2ccccc2)C[C@@H]1C 1507559088 ZYSRCAYKHFTPFX-VQTJNVASSA-N 458.632 2.403 30 10 JEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)NCc2ccc(C)cc2)CC1 1507573397 GRSWOYSFAHBPFQ-IBGZPJMESA-N 486.642 2.143 30 10 JEEE C#CCCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N(C)CC(=O)N1CCOCC1 1507580978 ORNYXYRJTCAFLQ-UHFFFAOYSA-N 455.559 2.449 30 10 JEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCOc1ncccc1F 1507615892 CIKPXUUUJUSIAR-KRWDZBQOSA-N 460.510 2.269 30 10 JEEE C#CCN(c1nnc(C2(c3ccccc3)CCC2)n1CC(C)(C)C(=O)NC)[C@@H]1CCS(=O)(=O)C1 1507628564 XHDUACSYIQOXEX-HXUWFJFHSA-N 483.638 2.147 30 10 JEEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(COC(C)(C)C)c1)[C@H]1CCS(=O)(=O)C1 1507631784 GFEVMOFNPQWJQA-LEWJYISDSA-N 499.637 2.219 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(SCC)c1 1507690619 UNPUMUFOZKGKDI-LJQANCHMSA-N 463.629 2.231 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCCN2CCOCC2)CC1 1507719476 NVVGKCBYTJLNKQ-FQEVSTJZSA-N 456.566 2.035 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1507811815 UVVTXIZSULCJMK-UWJYYQICSA-N 457.535 2.426 30 10 JEEE C=C(Cl)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(C2CCOCC2)CC1 1507870149 FJVJUFVPIDSGTA-UHFFFAOYSA-N 450.996 2.323 30 10 JEEE C=CC[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](COC)C1)c1ccccc1 1507928115 HVJSYIURSOKEGK-QHAWAJNXSA-N 460.600 2.392 30 10 JEEE C=CCn1c(N2C[C@H](C)[C@H](N3CCN(C(C)=O)CC3)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1508066273 NJIBEYYHRWVXRJ-MJUUVYJYSA-N 487.649 2.224 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 1508074257 PMLYLUWTCGQLSF-UHFFFAOYSA-N 474.974 2.336 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(CCN2[C@@H](C)CC[C@@H]2C)CC1 1508078545 CXCCFZZOCPBEAF-SFTDATJTSA-N 481.645 2.251 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CC[C@@](O)(c2ccc(F)cc2)C1 1508142665 AUEKGJZVXFLXFN-QFIPXVFZSA-N 491.614 2.472 30 10 JEEE CCS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCOC2(CCCCC2)C1 1516849735 DMPIESLLHQKRHJ-UHFFFAOYSA-N 488.614 2.208 30 10 JEEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)N(C)C2CC2)C[C@H](C)O1 1518939377 DDNOPIRHHMPBNZ-SPEDKVCISA-N 454.575 2.452 30 10 JEEE C=CCOc1ccccc1CNC(=O)c1cccc(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 1529650821 HOHRNUJNDWKLPR-UHFFFAOYSA-N 457.552 2.034 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1CCN1CCN(C(C)=O)CC1 1538985282 ZMFIEYQWWCKTGQ-INIZCTEOSA-N 459.392 2.330 30 10 JEEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1539089859 UMRJPMJQAGFDLA-GOSISDBHSA-N 462.595 2.340 30 10 JEEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1539097243 GUYBQIPFJZIIGH-MRXNPFEDSA-N 474.363 2.216 30 10 JEEE C#CCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H](N1CCOCC1)C(F)(F)F 1539165503 BZQPUQCMFULYCL-SFHVURJKSA-N 451.449 2.049 30 10 JEEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@H](c1cccs1)N1CCOCC1 1539194232 TXXGDKVCINFCAP-QGZVFWFLSA-N 470.624 2.474 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1cccc(C(F)(F)F)n1)[C@@H]1CCS(=O)(=O)C1 1539211157 IPKBYDWEXUCKBD-MRXNPFEDSA-N 476.484 2.429 30 10 JEEE C#CCN(c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC1(O)CC1)[C@@H]1CCS(=O)(=O)C1 1539229233 AXSSKHYJFQHPPR-LJQANCHMSA-N 472.611 2.306 30 10 JEEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1539230540 NSTOAFKKEDYGEX-CQSZACIVSA-N 458.462 2.055 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1539230583 IGJYYVSNKQNYHV-XUVXKRRUSA-N 474.631 2.029 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H](c2cccc(F)c2)N(C)C)CC1 1539427986 LEVSFPZEFXXWDT-QFIPXVFZSA-N 469.609 2.394 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(Cn2nc(C)cc2C)CC1 1539803188 GVUUZVIHPAJVAQ-IBGZPJMESA-N 498.053 2.093 30 10 JEEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H](Oc2ccccn2)C1 1540854985 RQQXHZUKMAZANE-GOSISDBHSA-N 454.556 2.434 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CCc1cnccn1 1540875876 AJBPEPGYVHQRJC-SFHVURJKSA-N 470.578 2.121 30 10 JEEE C=CCNC(=O)Cn1c(N(CC)[C@@H]2CCS(=O)(=O)C2)nnc1C1(c2ccccc2)CCC1 1540876662 XVTHJEXSMOFQGV-LJQANCHMSA-N 457.600 2.064 30 10 JEEE C=CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC(=O)N(C)[C@H](C)C1 1540916790 GXVGJGJMWXHVSI-QGZVFWFLSA-N 456.620 2.038 30 10 JEEE C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 1564957994 QMYIQXABIDQJBB-YOEHRIQHSA-N 458.378 2.056 30 10 JEEE C=CC[C@@]1(C(=O)N2CCC(NC(=O)N3CCOCC3)CC2)CCCN1C(=O)OC(C)(C)C 1570544355 XQTROHRBKOPQNJ-QHCPKHFHSA-N 450.580 2.365 30 10 JEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCCN(C(=O)C(C)C)CC1 1587823798 ZLADMKXMEDNVQP-UHFFFAOYSA-N 486.642 2.304 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(N(C)C)CCOCC1 1588399923 UGZNOJILYBKPQR-IBGZPJMESA-N 476.622 2.157 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccccn2)n1Cc1ccc(N2CCOCC2)c(F)c1 1588619881 HUWWSKMNIYXQFS-UHFFFAOYSA-N 450.518 2.450 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1coc(-c2ccc(C)cc2)n1 1588646748 MGZVDXVZWOZHJM-IBGZPJMESA-N 469.567 2.278 30 10 JEEE C#CCN(CCOC)c1nnc(Cn2ccc3ccccc32)n1CCN1CCN(C)C(C)(C)C1 1588673633 VFVKHSONDCTIHH-UHFFFAOYSA-N 463.630 2.393 30 10 JEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2=CCN(C(=O)OC(C)(C)C)CC2)CC1 1588865097 PQFCAZLFLWOWOZ-UHFFFAOYSA-N 494.644 2.462 30 10 JEEE C#CCSCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC(S(C)(=O)=O)CC1 1588993692 LULHZIGBHKBGHK-UHFFFAOYSA-N 494.639 2.351 30 10 JEEE C=C(Br)Cn1c(N2CC[C@H](N3CCN(C(C)C)CC3)C2)nnc1[C@@]1(OCC)CCOC1 1589459806 DJPLRWPOOPTJQT-SIKLNZKXSA-N 497.482 2.444 30 10 JEEE C=C(C)COCCn1c(-c2cc(Br)cn2C)nnc1N1CCNC(=O)[C@H]1CC 1593704297 UQZLULONARUADA-OAHLLOKOSA-N 451.369 2.354 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCOCC2CCOCC2)CC1 1594236440 CGMWHZSUAHQDBM-FQEVSTJZSA-N 452.621 2.416 30 10 JEEE C=CC[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(C)=O)CC1)c1ccccc1 1594544150 HEXSOKLAQVHFEL-NHCUHLMSSA-N 457.600 2.209 30 10 JEEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1594783500 CICHTTLGUKCGKT-BSRJHKFKSA-N 456.547 2.291 30 10 JEEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(C)Cc1nc(C(F)(F)F)cs1 1595536764 GMTLQIKYAPAVCO-UHFFFAOYSA-N 483.476 2.420 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCC(NC(=O)c3ccoc3C)CC2)nnc1C(C)(C)C 1595831203 NMYSGLBOSQPKKD-UHFFFAOYSA-N 463.604 2.477 30 10 JEEE COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1cc(C)c(N(C)C)cc1C#N 1596186776 FDQMWZKHMNFRFG-UHFFFAOYSA-N 458.540 2.215 30 10 JEEE Cc1nc(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CCS(C)(=O)=O)sc1C 1611844595 GCIVHWBKYGCCIL-UHFFFAOYSA-N 460.585 2.331 30 10 JEEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCc1ccc(OCCN(C)C)cc1 1614028459 FAUMHTYFPUSVKZ-FQEVSTJZSA-N 489.628 2.400 30 10 JEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2COc3cc(F)c(Br)cc32)c1 1617718053 TZIIVEYPIGBKLU-MRXNPFEDSA-N 453.289 2.363 30 10 JEEE CC(C)(C)OC(=O)N1CCC(S(=O)(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC1 1662686959 BXJZMOHJDLCYHT-GDBMZVCRSA-N 458.581 2.064 30 10 JEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCC(=O)N1CCCCCC1 1689951465 YRRRKSCSHOFOOT-UHFFFAOYSA-N 472.615 2.058 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 1689982201 JHLKYNLEBOZJQW-FUHWJXTLSA-N 466.510 2.352 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2CCNC(=O)OC(C)(C)C)CC1 1690113340 HFHVKQQFVLXOAP-UHFFFAOYSA-N 492.422 2.326 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CCN2CCOCC2(C)C)CC1 1690117396 GDWGXNJJNKGVBV-UHFFFAOYSA-N 482.629 2.218 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc2cnccc2c1 1690288197 LXGWXTAYRFQEFB-FQEVSTJZSA-N 456.572 2.372 30 10 JEEE C=C(Cl)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@](C)(C(N)=O)C1 1690346006 ISSGJOYOFGJOIA-JLTOFOAXSA-N 454.959 2.041 30 10 JEEE C=CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1690481863 RRCNOMWZDIEVAD-UHFFFAOYSA-N 492.628 2.149 30 10 JEEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCc1nnc2n1CCCCC2 1692740994 DERNXRRXXSYQQZ-KRWDZBQOSA-N 482.614 2.247 30 10 JEEE N#Cc1ccc(-c2nnc(N3CCC(C(=O)NCC(F)(F)F)CC3)n2CC2(O)CCOCC2)cc1 1698485483 FIHDABZKRVJHAP-UHFFFAOYSA-N 492.502 2.253 30 10 JEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(c2ccccc2)CC1 1705516412 AOJXHSIUVQOLPW-QFIPXVFZSA-N 486.642 2.131 30 10 JEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(=O)CCc2ccccc2)CC1 1705532032 DNSNHIYOMCFHGV-QFIPXVFZSA-N 483.638 2.265 30 10 JEEE C#CCN(c1nnc(-c2cccc(Br)c2)n1C[C@H](F)COC)[C@H]1CCS(=O)(=O)C1 1705561981 WOQJOMNNHSPNJI-IRXDYDNUSA-N 485.379 2.319 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1Cc1nnc(CC)s1)[C@H]1CCS(=O)(=O)C1 1705571037 VDCAFCUEYRJKIR-KRWDZBQOSA-N 474.587 2.097 30 10 JEEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(N2CCOCC2)nc1 1705601534 MJYDTFOZJURGGW-UHFFFAOYSA-N 489.605 2.012 30 10 JEEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(=O)N1CCCCC1 1705614289 DLUMSUVQZZUKGQ-LJQANCHMSA-N 474.606 2.449 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc2c(c1)OCCO2 1705696854 IOJFXRAELRIOGA-MDKPJZGXSA-N 491.614 2.277 30 10 JEEE C=C(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1705728553 NZGWQEGRAGHZSA-SJORKVTESA-N 468.624 2.444 30 10 JEEE C=C(Cl)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)N(C)C2CCCCC2)CC1 1705744385 BFWHRHHACUPQLF-UHFFFAOYSA-N 478.041 2.180 30 10 JEEE C=C(Cl)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1705750335 ZVRABUWYCUTGNL-FUHWJXTLSA-N 496.033 2.469 30 10 JEEE C=CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)OC)CC1 1705819392 KPMCDILNCOYKHH-KRWDZBQOSA-N 464.567 2.441 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC[C@H]1COCCO1 1705885595 XVRJOBNHBYORKD-RBUKOAKNSA-N 481.594 2.031 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCN(CC(C)C)C(=O)C1 1705906560 IUNLPDGGMMCZQN-UHFFFAOYSA-N 460.966 2.117 30 10 JEEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1705939608 HLRISDYRZQAOSW-MRXNPFEDSA-N 493.634 2.145 30 10 JEEE C[C@H]1OCC[C@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(F)(F)F)CC1 1708275527 FNWVPYXLCSZDED-QRWLVFNGSA-N 450.465 2.041 30 10 JEEE CCc1ccccc1OCc1nnc(N2CC[C@@](F)(C#N)C2)n1CCNC(=O)c1cc[nH]n1 1708947173 BTMZGWWVZGOWMB-JOCHJYFZSA-N 452.494 2.015 30 10 JEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1 1722332109 CYEFODVBOVZPFY-FHWLQOOXSA-N 477.631 2.429 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(=O)c2ccccc2)CC1 1722332521 MFQWHWOMAQOUDS-NRFANRHFSA-N 485.610 2.124 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1cccc(Br)n1)[C@@H]1CCS(=O)(=O)C1 1722362680 VUBDJXXPGQAXRZ-MRXNPFEDSA-N 487.383 2.173 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)cc(OC)c2)n1CCCn1cc(CO)nn1 1722469044 ZSSFUKIHPHYOMM-HSZRJFAPSA-N 451.531 2.129 30 10 JEEE C=CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CCOC)CC1 1722616315 OYPGPULMRXKOCM-IBGZPJMESA-N 464.611 2.321 30 10 JEEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H](C)CN1CCN(CC)CC1 1722632169 JYYFYQFDFRYTPP-LJQANCHMSA-N 460.648 2.244 30 10 JEEE C=CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1722682551 SDYKRKAZNNLGPJ-CALCHBBNSA-N 461.636 2.278 30 10 JEEE C=CCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCN(CC(=O)NCCOC)CC1 1722683987 KCNLZYTWZIGDBA-UHFFFAOYSA-N 477.407 2.087 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 1722728045 SRVFHPJCQRYVDA-NSHDSACASA-N 489.442 2.151 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N(C)Cc1nc(O)c2sccc2n1 1722728666 ADXFGNLTZWVFEL-UHFFFAOYSA-N 485.595 2.211 30 10 JEEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1722739738 HJUVBZIGWQDXGU-GOSISDBHSA-N 455.563 2.486 30 10 JEEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCCS2(=O)=O)C[C@@H](C(F)(F)F)O1 1726670057 CCPOJEOBQRHKJE-PBHICJAKSA-N 484.504 2.008 30 10 JEEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1729203809 GSMODADOGNMKQS-UHFFFAOYSA-N 472.615 2.335 30 10 JEEE C#CCCCn1c(N2CCN(C(=O)c3cccc(F)c3)CC2)nnc1[C@@]1(OCC)CCOC1 1740597139 PXTQLZMAGZSRTB-XMMPIXPASA-N 455.534 2.445 30 10 JEEE C#CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCN1CCN(CC)CC1 1740608044 JSFUJKUWYARBJY-OAQYLSRUSA-N 473.666 2.490 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H](C)N(CC)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1740629749 YIBMCDJJZDZZTH-CEXWTWQISA-N 495.646 2.402 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1CCCN1C[C@H](C)O[C@H](C)C1 1740681451 MGRBGQYNYZTHSN-KDURUIRLSA-N 455.559 2.259 30 10 JEEE C=C(Br)Cn1c(CC(C)C)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1740745254 PZGXIUKXFONUMH-MAUKXSAKSA-N 453.429 2.374 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](OCC(C)C)C1 1740752017 RFZCSCBFGJNSTG-YRXWBPOGSA-N 455.625 2.121 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1740774419 SJVGUCOUTOCASK-RDGPPVDQSA-N 455.625 2.217 30 10 JEEE C=C(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1740781253 XGSPZXJETSEOOJ-GJZGRUSLSA-N 454.622 2.072 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C(=O)NCCCC)CC[C@@H]1C 1740810483 CWJDPOKEUMFILN-GVDBMIGSSA-N 458.028 2.454 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@](C)(O)c2cc(C)oc2C)CC1 1740840130 SRPIUWZDQVWDLK-REWPJTCUSA-N 493.630 2.131 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](c2ccsc2)O[C@H](C)C1 1740952184 WWSRZOWZLIDATL-NVXWUHKLSA-N 467.555 2.256 30 10 JEEE C=CCOc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CCC[C@@H](CNC(C)=O)C2)cc1 1740967708 OFFOSCJJLGRVSJ-NRFANRHFSA-N 466.586 2.366 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1740989860 ZJSVSEBSDOQNGH-HOIFWPIMSA-N 464.563 2.458 30 10 JEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(Cc2cc(C)no2)CC1 1748759730 NUZXKTNGUIOBDE-UHFFFAOYSA-N 453.572 2.302 30 10 JEEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 1748765515 KACFGXFLLOXNCC-VABKMULXSA-N 453.587 2.271 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CCCc1nccs1)[C@H]1CCS(=O)(=O)C1 1748805968 YQQXJLNUMALOSF-AVRDEDQJSA-N 493.655 2.035 30 10 JEEE C=CCCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1749412016 IXNMZKQFRFPXTK-HXUWFJFHSA-N 479.589 2.336 30 10 JEEE C=CCn1c(N2CCN(CC(=O)Nc3ccccc3CC)CC2)nnc1[C@@]1(OCC)CCOC1 1749645534 ARATYVMVAJIZJA-RUZDIDTESA-N 468.602 2.439 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1749660432 OZNMHIPJBNDVGO-XDHUDOTRSA-N 471.558 2.039 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(Cc1cccc(F)c1)C[C@@H]1CCCO1 1749663804 RDCMFCYUMXIYTP-FQEVSTJZSA-N 453.522 2.306 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC(NC(=O)c2ccc(F)cc2)CC1 1749676583 VWPQWKUCVXPVLR-UHFFFAOYSA-N 477.544 2.104 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCc2cccc(C(=O)N(C)C)c2)C1 1749693413 IOBXRCBDTVPTHY-HXUWFJFHSA-N 454.575 2.142 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1C[C@H](C)OC(C)(C)C1 1749736437 IWAXEMVTDZEOFR-KRWDZBQOSA-N 458.588 2.121 30 10 JEEE CS(=O)(=O)N1CC[C@@H](Cn2c(COc3ccccc3F)nnc2N2CCC(C#N)CC2)C1 1750208291 BMQUMSQYNZNMPK-QGZVFWFLSA-N 462.551 2.018 30 10 JEEE C[C@]1(C#N)CCCN(c2nnc(CNC(=O)c3cccs3)n2CCS(=O)(=O)CC2CC2)C1 1751276045 CKJDHPSNSFYXSI-OAQYLSRUSA-N 476.628 2.224 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1CCOc1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 1760185333 VMRBNOFRKJHYEF-LJQANCHMSA-N 451.552 2.354 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCCNC(C)=O)CC1 1760265868 KPOGOOXWLOFMSF-QGZVFWFLSA-N 470.549 2.049 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C)n1CC1(O)CCS(=O)(=O)CC1 1760298616 OGFVQIUMLZUZEW-HSZRJFAPSA-N 472.611 2.406 30 10 JEEE Cn1nncc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 1769086976 GOJKHUOJGJDZJM-SFHVURJKSA-N 461.574 2.372 30 10 JEEE COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)NC(C)(C)C)C[C@@H](C)O1 1769520542 GPEDBHGCMIUASI-YLJYHZDGSA-N 470.574 2.274 30 10 JEEE COCCN1C[C@@H](Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N2CCO[C@@H](C#N)C2)CC1=O 1769883433 AINUXBJZEBNBGB-UGKGYDQZSA-N 496.612 2.378 30 10 JEEE CS(=O)(=O)N1CC[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(CCCO)CC2)C1 1770342376 BWIGZFFAZMGZPX-FQEVSTJZSA-N 472.615 2.087 30 10 JEEE CS(=O)(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)NC2CCCCC2)CC1 1771359119 BYOWXOSYDSBWQW-UHFFFAOYSA-N 499.641 2.127 30 10 JEEE CC(C)(C)c1ccc(S(=O)(=O)CCC(=O)N[C@@H](CO)C(=O)Nc2ccc(C#N)cc2)cc1 1866809402 HTMVFBFRESHNNK-FQEVSTJZSA-N 457.552 2.135 30 10 JEEE C[C@@H](NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1)C(=O)N(CCN)C(=O)OC(C)(C)C 1868784195 WCOSDLBSUKPUPN-WBVHZDCISA-N 463.604 2.252 30 10 JEEE CC[C@@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc(C(=O)NCCN(CC)CC)cc1 1869934208 BHQSPZMSRMVODR-HXUWFJFHSA-N 485.610 2.214 30 10 JEEE C=CCN(CC=C)c1nc(NC(=O)c2ccc(OC)c(OC)c2)n([C@@H]2CCS(=O)(=O)C2)n1 1870002886 YJJSRYCMEYNIKM-MRXNPFEDSA-N 461.544 2.086 30 10 JEEE CCCCCCCCn1cc(OCC(=O)N2CCOCC2)c(=O)cc1CSc1nnnn1C 1870310163 XNUSOFXMXVQJMS-UHFFFAOYSA-N 478.619 2.262 30 10 JEEE CCCCOCCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CN(CCO)CCO 1870348744 KNHBNOTXTBZVGC-UHFFFAOYSA-N 457.571 2.292 30 10 JEEE C=CCN(CC=C)c1nc(=NCc2ccc(OC)cc2)nc(Nc2ccc(S(N)(=O)=O)cc2)[nH]1 1871509194 MYOGOORPLHEPES-UHFFFAOYSA-N 481.582 2.484 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)COc2nonc2C(=O)NCCCCN(CC)CC)nc1C 1872706980 XNWZDQVFLQMBJV-UHFFFAOYSA-N 494.574 2.047 30 10 JEEE COc1ccc(/C=N/n2c(SCCO)nnc2[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1O 1874208421 FOBJAENCZQBOFO-QJTDOHDFSA-N 467.551 2.475 30 10 JEEE CCOc1ccccc1OCc1nnc(SCC(N)=O)n1/N=C/c1ccc(O)c([N+](=O)[O-])c1 1874240708 VAXSAMJCSBUCPH-LSHDLFTRSA-N 472.483 2.329 30 10 JEEE CN1CCN(CC#CCOC2CCN(S(=O)(=O)c3ccc(F)cc3C(F)(F)F)CC2)CC1 1890445177 BBFXSFGVEVNUDB-UHFFFAOYSA-N 477.524 2.265 30 10 JEEE COc1cc(Cn2cccc(C(=O)N3CC(COc4cccnc4C#N)C3)c2=O)cc(OC)c1 1891532823 FTHOULIXAITWRT-UHFFFAOYSA-N 460.490 2.331 30 10 JEEE CC1(C)OB(C=C2CCN(S(=O)(=O)CCN3C(=O)c4ccccc4C3=O)CC2)OC1(C)C 1978272393 JOPSQWSQIVJEGW-UHFFFAOYSA-N 460.361 2.266 30 10 JEEE Cc1cnc(NCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c(B2OC(C)(C)C(C)(C)O2)c1 2241046942 OMQAJONRQWBWKS-UHFFFAOYSA-N 460.384 2.180 30 10 JEEE CC1(NS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2247952916 PUODUKUKQOXEMV-UHFFFAOYSA-N 458.411 2.335 30 10 JEEE CCN(CCNC(=O)c1nn(C)c(Cl)c1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2255822665 NVDXJNVPARMTOD-UHFFFAOYSA-N 456.780 2.360 30 10 JEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1O 2267126851 DVYPFHOEHKKZOH-HOTGVXAUSA-N 466.409 2.456 30 10 JEEE C=C(CS(=O)(=O)NC[C@@H](C)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2267471406 SPIFNOJBHLVHCG-QVKFZJNVSA-N 474.429 2.101 30 10 JEEE CON(CCNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1C)C(=O)OC(C)(C)C 2267472281 ZZJACDIDQMUQKL-UHFFFAOYSA-N 470.397 2.371 30 10 JEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)c1coc(B2OC(C)(C)C(C)(C)O2)c1 2267494608 GGPXGSPYKWLMRA-JKSUJKDBSA-N 450.341 2.333 30 10 JEEE COC[C@@H](ONC(=O)OC(C)(C)C)C(=O)NCc1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2268643848 ZTJTZCASYOSPGC-OAHLLOKOSA-N 470.397 2.443 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CC(=O)NCc2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2268668933 JHTGLEOBGHXSQG-GOEBONIOSA-N 466.409 2.281 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCCO[C@H]2[C@H]1NC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2282031380 RHKFPKTYRVVMEF-DRPJVOAASA-N 479.408 2.243 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)Nc2n[nH]c(CNC(=O)OC(C)(C)C)n2)n1 2282038665 LFVNTLSHMYNZQU-UHFFFAOYSA-N 458.328 2.084 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](CO)[C@@H](NC(=O)c2occc2B2OC(C)(C)C(C)(C)O2)CC1 2282531100 DVGMURLARKPGFK-WBVHZDCISA-N 464.368 2.317 30 10 JEEE Cn1ncc(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)c1B1OC(C)(C)C(C)(C)O1 2282569040 LKILFTOHENXCDB-JYJNAYRXSA-N 460.384 2.237 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(C(=O)OC(C)(C)C)[C@@H]2CC[C@H]21 2282582715 ZGYSFPYDXVHREF-IAGOWNOFSA-N 460.384 2.426 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2282591029 KFFBCFDFHCPQKO-HLLBOEOZSA-N 460.384 2.187 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@]2(C[C@H](NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)c[nH]3)CO2)C1 2282634964 SOOQBUHSGKFMEP-HJPURHCSSA-N 461.368 2.212 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C1)[C@@H]2NS(=O)(=O)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2282841808 YJFLSWZFYGNIGO-REPLKXPHSA-N 478.420 2.271 30 10 JEEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@H]1C[C@@]1(C(=O)N=c1nc(B3OC(C)(C)C(C)(C)O3)[nH]s1)C2 2283944284 LFQQKJNUXRLGRR-OEOGXHJNSA-N 476.408 2.376 30 10 JEEE C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2cccc(B3OC(C)(C)C(C)(C)O3)c2C1 2283955149 KAWMKTPEGWFIJO-DNVCBOLYSA-N 460.380 2.145 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1NC(=O)[C@H](CCC(N)=O)NC(=O)OC(C)(C)C 2284123219 YFESNJOQUJHWJO-KRWDZBQOSA-N 461.368 2.392 30 10 JEEE C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)NCCc1c(F)cccc1B1OC(C)(C)C(C)(C)O1 2289648338 WVLFXUCDBGLPTM-KDOFPFPSSA-N 466.359 2.058 30 10 JEEE COC(=O)c1[nH]c(C)c(C(O)=C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(F)cc2)c1C 2296124718 QJLGWASVVJBBSL-NRFANRHFSA-N 485.512 2.311 30 10 JEEE COc1[nH]c(=NC[C@H]2CN(C(=O)OCc3ccccc3)CCO2)ccc1B1OC(C)(C)C(C)(C)O1 2339786991 UROWJDZZPAXLPS-IBGZPJMESA-N 483.374 2.261 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@@](C)(CNC(=O)OC(C)(C)C)C2)n1C 2362334436 XTYKQJTWTZJJAT-QHCPKHFHSA-N 462.400 2.405 30 10 JEEE COC[C@H](ONC(=O)OC(C)(C)C)C(=O)Nc1ccc(OC)c(B2OC(C)(C)C(C)(C)O2)c1 2365286809 PRCNOOWHTLSQDZ-KRWDZBQOSA-N 466.340 2.404 30 10 JEEE C=CCn1c(SCC(=O)CC(=O)OCC)nc2cc(C(=O)NC[C@@H]3CCCO3)ccc2c1=O 20645643 YEGVSDZGLBCROK-KRWDZBQOSA-N 473.551 2.106 30 10 JEEE C=CCON1C(=O)C[C@H](C(=O)OC)C12CCN(Cc1ccc(Sc3nncn3C)o1)CC2 72143324 AYMBZAWEAPZUPP-MRXNPFEDSA-N 461.544 2.033 30 10 JEEE COc1ccc(OC)c(S(=O)(=O)N(CCCN2CCOCC2)Cc2cccc(C#N)c2)c1 586137092 DGPKIGGIXGNFEA-UHFFFAOYSA-N 459.568 2.489 30 10 JEEE C[C@@H](C(=O)c1ccc2c(c1)NC(=O)CO2)[S@@](=O)CC(=O)Nc1sc2c(c1C#N)CCC2 586299631 RJRJEMBTRDSFJG-JTZKDVPQSA-N 457.533 2.398 30 10 JEEE C=CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H]1C(=O)NC[C@H]1C(=O)O 757544628 OTYMBDXPYPWZPD-BAGYTPMASA-N 477.517 2.175 30 10 JEEE C=CCN(C(=O)[C@]1(F)CCS(=O)(=O)C1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 1124682806 MYVUAXWRXJQEIQ-SFHVURJKSA-N 458.558 2.259 30 10 JEEE C=CCN1C(=O)C(=O)N(CC(=O)N(c2nc(C)c(C(=O)OCC)s2)[C@@H](C)CCC)C1=O 1126370247 PRUABPQERCRKDW-LBPRGKRZSA-N 450.517 2.127 30 10 JEEE C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@@H](Sc3ccc(Br)cc3)C2)C1=O 1131564235 AUHSJQDJMJDPFU-CQSZACIVSA-N 452.330 2.119 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc(NC(N)=O)cc1 1286284868 IAPSJNMSOIFVMK-OAHLLOKOSA-N 466.571 2.235 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OCC)CCOC3)n2CCC2(O)CCC2)c1 1286308931 MSKQYJMJSVFPTD-VWLOTQADSA-N 467.570 2.292 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1CC1(SC)CCN(C)CC1)[C@@H]1CCS(=O)(=O)C1 1286385939 RMFLLPIXRHLMAI-QZTJIDSGSA-N 453.678 2.246 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCOc1ccc(Cl)cn1)[C@@H]1CCS(=O)(=O)C1 1286388657 APZVPVXCNWLLDO-GOSISDBHSA-N 486.985 2.403 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H](C)N2CCOCC2)CC1 1286486920 IJQDRMXMIBKGHX-GOSISDBHSA-N 471.005 2.285 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(CC)cc3)n2CCS(=O)(=O)CC=C)CC1 1286487433 OPGPXICQJRNDLS-UHFFFAOYSA-N 469.611 2.074 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2ccc(O)cc2C1 1286545856 CGAAPLZQSBKMRF-SYNHAJSKSA-N 461.588 2.138 30 10 JEEE C=CCN(c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(=O)NCC(F)(F)F)C1CC1 1286733577 FLRDXJNDENBPLS-UHFFFAOYSA-N 485.536 2.380 30 10 JEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)NC(=O)OC(C)(C)C)C1CC1 1286738563 XAJYNSWXVQHBQW-QGZVFWFLSA-N 498.650 2.069 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2nc(C)cs2)CC1 1286784266 ZUIAHSSDLYFDSI-UHFFFAOYSA-N 458.979 2.387 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(CC(F)(F)F)CC1 1286814744 FWFUEPVMMRPJEG-UHFFFAOYSA-N 482.532 2.492 30 10 JEEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCCCS(C)(=O)=O)[C@H](C)C1 1286878212 WJKDIYZYAALLOL-QGZVFWFLSA-N 458.588 2.089 30 10 JEEE CCNC(=O)c1cccc(Cn2c(N3CCC(C#N)CC3)nnc2[C@@]2(OCC)CCOC2)c1 1296281337 AZOFRZBDXHJQLL-XMMPIXPASA-N 452.559 2.468 30 10 JEEE C#CCN(c1nnc([C@@H](C)OCCOC)n1Cc1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 1300484223 PDSFDCQYJNWZSQ-SJLPKXTDSA-N 466.991 2.331 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCc1ccc(C)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1300488501 RRKKDLGYFNTIMF-LJQANCHMSA-N 453.568 2.460 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1ccnc(SCC)c1)[C@@H]1CCS(=O)(=O)C1 1300499437 RSRNDKGWZRAXES-HXUWFJFHSA-N 482.635 2.446 30 10 JEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1Cc1cccc(NC(=O)OC)c1 1300664286 QGQLFXRHSWRWAP-UHFFFAOYSA-N 466.498 2.318 30 10 JEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](Oc2ncccc2F)C1 1301257938 HGSNBRZSDPDTLC-MSOLQXFVSA-N 479.578 2.355 30 10 JEEE C=CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1301600563 CUEINXANJOXKJE-INIZCTEOSA-N 463.629 2.325 30 10 JEEE C=CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](C(N)=O)C1 1301611219 JOQVVZAQFGMEFE-SJORKVTESA-N 480.635 2.207 30 10 JEEE CC(C)NC(=O)c1nnc(N(CCC#N)CC2CC2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1303346778 AVDFBWIVVCEHIW-GOSISDBHSA-N 466.590 2.215 30 10 JEEE COc1ccc(CCc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H]2CCCN2CCCO)cc1 1315449475 HDNXHUZEYAXAPZ-YKSBVNFPSA-N 456.566 2.361 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCOC[C@@H]1CCOC1 1358889598 DNBGMCGSOGYHTE-PMACEKPBSA-N 453.591 2.353 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1CCCCN1CCCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1358961162 SJZAKBRHGGGCLE-VQTJNVASSA-N 471.631 2.016 30 10 JEEE C#CCN(c1nnc(COCC)n1CC(C)(C)c1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 1358967132 DXYWCRUTWDPREN-IBGZPJMESA-N 460.600 2.428 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(NS(C)(=O)=O)CC1 1359094872 GWGCTOLKVTYWFX-TZIWHRDSSA-N 470.599 2.316 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1359297086 DZIRMHAGIQJCOR-UHFFFAOYSA-N 475.553 2.097 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)ccc2C)nnc1N1CCN(C(C)=O)C[C@H]1C 1359334931 VCDJILIURJZHIN-LJQANCHMSA-N 475.615 2.132 30 10 JEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H]1CC=CCO1)[C@@H]1CCS(=O)(=O)C1 1507634643 OKXYGDRPMKPVDW-UXHICEINSA-N 460.987 2.494 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCc1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 1507638448 FPMMVUIEXAPNEX-NRFANRHFSA-N 482.610 2.018 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCC(=O)NC(C)(C)C)CC1 1507735362 UGAGHYMHRWTVSF-UHFFFAOYSA-N 496.612 2.233 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@]2(O)CCCC2(C)C)CC1 1507736299 ODZSKQDPJHMQBA-FTJBHMTQSA-N 487.645 2.226 30 10 JEEE C=C(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC(OCC(N)=O)CC1 1507831669 CPNQGXPEUGXRQU-UHFFFAOYSA-N 462.595 2.439 30 10 JEEE C=C(C)COCCn1c(COc2ccc(C)cc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1507847069 BPGWHRHGLNBWQR-UHFFFAOYSA-N 468.558 2.279 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2sc(C)nc2C)CC1 1507902620 LTNWLFOSUBOGEJ-QGZVFWFLSA-N 466.633 2.135 30 10 JEEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1507928484 GMKFYTFVERSTJU-IFMALSPDSA-N 471.650 2.249 30 10 JEEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)c2ccc(C)cc2)CC1 1507956728 FQNGCBHWQPSUPS-UHFFFAOYSA-N 454.575 2.280 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 1508086097 XRZVRDPGZLFXPN-LJQANCHMSA-N 465.602 2.041 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCCC[C@@H](S(C)(=O)=O)C2)cc1 1508100324 IRQXMEWCPFHMJQ-UXHICEINSA-N 473.599 2.246 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H](c1ccccc1Cl)N(C)C 1510187899 AOWLWUSZGYMQOE-NQYLQCIDSA-N 484.001 2.287 30 10 JEEE Cc1nccn1CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1511612793 GTXOYJPZJOLBOZ-KRWDZBQOSA-N 480.598 2.259 30 10 JEEE CCN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(NC(C)=O)nc1 1515742629 BYQZQJGNHKJBOV-UHFFFAOYSA-N 467.555 2.089 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)(C)C)n2CC2CCS(=O)(=O)CC2)c1 1539038000 KGHSGFPMHXGVTC-UHFFFAOYSA-N 457.600 2.457 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H]1CCSC1(C)C)[C@H]1CCS(=O)(=O)C1 1539224047 CIAITDNCTWVBTG-HKUYNNGSSA-N 459.641 2.422 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2CC[C@@](C)(CC)O2)CC1 1539489062 QAKPJMSVKLMMQD-SQJMNOBHSA-N 467.618 2.453 30 10 JEEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1c(CC)nn(C)c1OC 1540074597 ZXDBRVBMJSHTEF-UHFFFAOYSA-N 451.579 2.427 30 10 JEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1540858066 GEHFNNZBDBPZLS-FQEVSTJZSA-N 486.621 2.218 30 10 JEEE C=CCNC(=O)Cn1c(N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)nnc1C(C)(C)C 1540876294 MUZSRKQIPNRTCT-UHFFFAOYSA-N 464.530 2.324 30 10 JEEE CC(C)N(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1541607929 CRJSAOSGKLYEJJ-FQEVSTJZSA-N 466.590 2.109 30 10 JEEE CCc1nsc(N2CCN(c3nnc(-c4cccc(C#N)c4)n3CC(=O)NC(C)C)CC2)n1 1546571818 DVXHJDVUOITQBE-UHFFFAOYSA-N 465.587 2.082 30 10 JEEE CCn1nc(-c2nnc(N(C)[C@H](C)CC#N)n2CCNC(=O)c2ccco2)c2ccccc2c1=O 1547735013 FXHTVYHQXWQULI-MRXNPFEDSA-N 474.525 2.436 30 10 JEEE COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(C)cc1N1CCOCC1 1555554920 CNUNSRPUCJSMMA-UHFFFAOYSA-N 481.601 2.074 30 10 JEEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCc2c[nH]nc2C)C[C@H]1OC 1555790942 CQSAJZVEOWDZOU-OYRHEFFESA-N 451.531 2.243 30 10 JEEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC1(S(C)(=O)=O)CCCC1 1587975280 VRYHSEOXGCKSAE-UHFFFAOYSA-N 482.610 2.492 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CC[C@@H](F)C1)[C@@H]1CCS(=O)(=O)C1 1588035899 ZHXRCNDOZCOUTP-YXTQBTIXSA-N 468.595 2.084 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1Cc1ccc(NC(C)=O)nc1)[C@@H]1CCS(=O)(=O)C1 1588059483 OUAHHWMCEKZTRB-OAQYLSRUSA-N 496.568 2.036 30 10 JEEE C#CCN(c1nnc(CCOc2ccccc2)n1C[C@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1588070103 WPUWLHHZMIPCSO-PZJWPPBQSA-N 458.584 2.095 30 10 JEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](c2ccsc2)N(C)C)CC1 1588864594 HDEBWJSPROYCSB-OAQYLSRUSA-N 452.632 2.259 30 10 JEEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1589088628 CHBGXPUDCVLBRL-JOCHJYFZSA-N 460.625 2.259 30 10 JEEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@](O)(c2ccccc2F)C1 1589296846 XYRXJYNYDSGZRV-SCLBCKFNSA-N 488.383 2.034 30 10 JEEE C=C(C)CN(CC)c1nnc(COc2ccc(F)cc2)n1CC1(O)CCS(=O)(=O)CC1 1589687340 BXLXFMNJOGJWSC-UHFFFAOYSA-N 452.552 2.338 30 10 JEEE C=C(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1593600028 BAKHDUKBNQFJST-IBGZPJMESA-N 491.614 2.169 30 10 JEEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1593695099 CCLQHJMNDMWOIS-LJQANCHMSA-N 469.590 2.208 30 10 JEEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1595577352 QDZLIHMQVPFOHT-GOSISDBHSA-N 480.573 2.042 30 10 JEEE C[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(C#N)C1)c1nccs1 1611583373 GDNSLKJIXNDSTL-GQIGUUNPSA-N 479.632 2.001 30 10 JEEE C#C[C@]1(O)CC[C@@H]2[C@H]3CCC4=C/C(=N/OCC(=O)N[C@@H](CO)C(=O)O)CC[C@]4(C)[C@@H]3CC[C@]21C 1614469835 LFHYHJHRXQUQHI-ZOCYINONSA-N 472.582 2.248 30 10 JEEE C=CCn1c(S)nc2cc(C(=O)N3CC[S@@](=O)C[C@H]3c3cnn(CC)c3)ccc2c1=O 1618580529 QXXWODDNVVGZIX-FZEVHQGJSA-N 457.581 2.033 30 10 JEEE COCCN(CCC#N)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1(C(N)=O)CCCC1 1619911037 DSYWEEKOXIRGQW-UHFFFAOYSA-N 454.531 2.128 30 10 JEEE C=C(C)CN1CCC(NC(=O)N2CCC(n3nncc3I)CC2)CC1 1631214437 ZBNQDQMNQKUZSZ-UHFFFAOYSA-N 458.348 2.270 30 10 JEEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)N1CCN([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 1637266186 HGNKPESFOFPRIP-GOSISDBHSA-N 457.575 2.362 30 10 JEEE C#CCN(C(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1Cc1ccccc1)C1CCN(C)CC1 1639164884 BRFSJSFOHFKTHB-RUZDIDTESA-N 458.562 2.056 30 10 JEEE C#CCN(C(=O)CS[C@H](C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O)C1CSC1 1641188468 HBMBOFYKADNMIP-MRXNPFEDSA-N 458.609 2.122 30 10 JEEE C#CC1CCN(CC(=O)NCCN2C(=O)/C(=C\c3ccc4c(c3)OCO4)SC2=S)CC1 1646386683 YTMLWZQOLPJRLW-XDHOZWIPSA-N 457.577 2.078 30 10 JEEE C=CCn1c(COc2ccc(C)cc2)nnc1S[C@@H](C)C(=O)N[C@H]1CCS(=O)(=O)C1 1651887375 PMDMALCVRKJGOE-HOTGVXAUSA-N 450.586 2.135 30 10 JEEE C[C@H](C(=O)N1CCN(c2ncccn2)CC1)N1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 1654335842 ADWVQUYVSXHBMW-WIYYLYMNSA-N 453.978 2.050 30 10 JEEE C=CCC1(NC(=O)NCCS(=O)(=O)N2CCN(c3ccc(OC)cc3)CC2)CCCC1 1686983446 FQBJCCOUBFDJGJ-UHFFFAOYSA-N 450.605 2.335 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCNC(=O)c1occc1C 1689846587 LBYBQGULOSNZOD-KRWDZBQOSA-N 483.598 2.418 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCCCN1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1689989573 GYGUJIKKCKFNEQ-VXKWHMMOSA-N 477.675 2.311 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@](C)(O)c1cccs1)[C@H]1CCS(=O)(=O)C1 1689991268 ZBRPPYXPYCLFCJ-FIKGOQFSSA-N 464.613 2.116 30 10 JEEE C#CCN1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CCCOC(F)F)CC1 1690122250 LMWULGULMAISMN-UHFFFAOYSA-N 471.512 2.059 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc(C(N)=O)cc1 1690234528 HHKUYPPEQYSEIJ-VQTJNVASSA-N 452.559 2.231 30 10 JEEE C=C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC1 1690384121 FGFSKMICMDMZSA-KSZLIROESA-N 459.513 2.422 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C(C)C)C1 1690432467 DUWIAZLRWLQNHO-MSOLQXFVSA-N 455.625 2.075 30 10 JEEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1690451579 KEKVJOYMSVENPM-HUUCEWRRSA-N 452.547 2.317 30 10 JEEE C=CCN(CC=C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1690586892 VWAAYFATFMWWJJ-FQEVSTJZSA-N 454.499 2.275 30 10 JEEE C=CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1690640821 IPKYPQPBJXDCHM-MRXNPFEDSA-N 456.572 2.264 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1690660759 NXZCUEADDFYVBV-SFTDATJTSA-N 486.642 2.127 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1690722266 CKTIYJMIBXCYJA-UHFFFAOYSA-N 481.504 2.256 30 10 JEEE Cc1ccc(C(C)C)c(OCc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@]2(O)CCS(=O)(=O)C2)c1 1693021131 IEVXLEFABZDART-XZOQPEGZSA-N 491.589 2.281 30 10 JEEE C[C@H]1CC[C@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCS(=O)(=O)CC2)C1 1693604876 HYPWQHLCAKSLRF-ROUUACIJSA-N 473.599 2.293 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCOC2)c1 1705507688 IPCPIRGCOZRVMG-SFHVURJKSA-N 478.578 2.362 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCCO[C@@H]1C(C)C)[C@@H]1CCS(=O)(=O)C1 1705564376 BXWXIOIKCLIJNM-DOIPELPJSA-N 464.632 2.250 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCN1CCN(C(C)=O)CC1 1705623222 KGLBWKYVHVGLMO-IBGZPJMESA-N 484.670 2.382 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2ncc(CC)s2)CC1 1705634206 NEEBEVFYEDSSQJ-UHFFFAOYSA-N 470.624 2.171 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2Cc2conc2COC)CC1 1705650404 QTOVMQVPQPCKLT-UHFFFAOYSA-N 466.517 2.157 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(C(N)=O)CCCC1 1705860774 WDSOIBSSTUHMAY-HXUWFJFHSA-N 482.610 2.290 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1CC1(CS(C)(=O)=O)CC1 1705861020 YYPLEJQTOAQLDC-LJQANCHMSA-N 468.583 2.118 30 10 JEEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(c2ccc(F)cn2)CC1 1705888167 IRJMXKMXYVJXGY-UHFFFAOYSA-N 471.562 2.242 30 10 JEEE C=CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(S(C)(=O)=O)CC1 1705944008 RFGCNYYMZJQLQN-UHFFFAOYSA-N 488.639 2.125 30 10 JEEE CC(=O)N1CCN(CCn2c(Cc3c(F)cccc3F)nnc2N2CCC(CC#N)CC2)CC1 1706005105 JLEXECTXSAUZPV-UHFFFAOYSA-N 471.556 2.441 30 10 JEEE CC(C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1706633365 CKSDSIZKASFVOY-UHFFFAOYSA-N 469.553 2.325 30 10 JEEE CCN1CCN([C@@H](C)Cn2c(CNC(=O)c3cccs3)nnc2N(C)[C@H](C)CC#N)CC1 1710269916 GDBHRWPZGRYMIG-MSOLQXFVSA-N 458.636 2.034 30 10 JEEE N#C[C@@]1(F)CCN(c2nnc(Cc3ccncc3)n2CCS(=O)(=O)Cc2ccccc2)C1 1712875555 FIAZHVJVQXTZRB-QFIPXVFZSA-N 454.531 2.321 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCS(=O)(=O)C(C)(C)C 1722296486 QOAHNXUJNPKJTA-KRWDZBQOSA-N 459.620 2.123 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccc(C#N)c3)n2C[C@H]2NC(=O)CC2(C)C)n1 1722428137 RYSGQIPFUKWGBX-JOCHJYFZSA-N 486.580 2.214 30 10 JEEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1722454558 MINSPIQLQSVKID-XMMPIXPASA-N 498.609 2.143 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(c2ncccc2F)CC1 1722537591 OSAMWDLBSAMAGK-SFHVURJKSA-N 478.594 2.024 30 10 JEEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCN(C)Cc2ccccc2)CC1 1722554383 DUTLBJSNPPSKGT-NRFANRHFSA-N 493.077 2.187 30 10 JEEE C=CCC(C)(C)Cn1c(CC2CCCC2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1722589369 QKOUUEYZJMCUSJ-UHFFFAOYSA-N 470.622 2.080 30 10 JEEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1722608174 XCSZCNPVMQGYII-BGYRXZFFSA-N 459.639 2.009 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(C)nn1C 1722656211 ABVKQRYYSNEUOL-HXUWFJFHSA-N 465.583 2.335 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1722695266 YGWJUEZGAUWOAX-SRGWNRLKSA-N 471.558 2.037 30 10 JEEE C=CCNC(=O)Cn1c(N2CCN(Cc3cccc(F)c3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1722704567 VERUPMPCESDMNO-RUZDIDTESA-N 486.592 2.082 30 10 JEEE CC(=O)N(C)C1CCN(c2nnc(Cc3ccccc3C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1722749858 KJLYVHJBHJIFRP-IZHYLOQSSA-N 491.596 2.151 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@H](C(C)C)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1740622892 KHFWCYLFEULNEZ-NJYVYQBISA-N 463.648 2.267 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1ccc(OC)cc1F)[C@@H]1CCS(=O)(=O)C1 1740624132 CSBMJSDHZWQTDQ-LJQANCHMSA-N 469.542 2.087 30 10 JEEE C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H]1CC=CCC1 1740744720 FTLNRVNDDGJFGL-CVEARBPZSA-N 474.425 2.312 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)CCS(C)(=O)=O 1740753103 FRMOGDVRNIJIPK-XJKSGUPXSA-N 472.409 2.498 30 10 JEEE C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1740778328 WOONOKXUSWZSBT-AWEZNQCLSA-N 462.396 2.401 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1740850281 FCSJQMGRBXKERB-GJZGRUSLSA-N 477.553 2.287 30 10 JEEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1740858675 XHTJJAHHKYHARZ-IAGOWNOFSA-N 454.641 2.376 30 10 JEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C2CCOCC2)C1 1740864114 JUXFIDCUMVTZCO-UXHICEINSA-N 467.636 2.220 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1740957008 YHTZCOIJIWTIOA-KRWDZBQOSA-N 464.526 2.086 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@H](CN2CCOCC2)C1 1740963412 JZDVVMJTBXKDHX-JOCHJYFZSA-N 482.629 2.325 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CC(=O)N(C)C[C@H]1C 1740988149 VBPNOIWLHGRSMS-HZPDHXFCSA-N 477.656 2.399 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@H](OC)C(C)C 1744084321 AYKNGRZRMNEIAA-FQEVSTJZSA-N 485.637 2.108 30 10 JEEE CCOCc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1C[C@H]1CCOC[C@H]1OC 1747174655 GVZZESMIUBMDRN-DHIUTWEWSA-N 468.602 2.450 30 10 JEEE CN(C)C(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2CCCC2)CC1 1747546371 GASCGPNXXLGMOW-UHFFFAOYSA-N 451.575 2.129 30 10 JEEE CNS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1ccc(C#N)cc1 1748298651 BFYOWPDSAOFQGJ-RTBURBONSA-N 460.604 2.254 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CCN2CCC[C@@H](C)C2)c1 1748692738 MWGPGMIHWNIWSD-WIYYLYMNSA-N 463.586 2.017 30 10 JEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@@H](C)c2nccs2)CC1 1748718788 SDKPYYGCQFZOSW-ZWKOTPCHSA-N 462.645 2.323 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1ccc(N(CC)CC)nc1)[C@H]1CCS(=O)(=O)C1 1748811586 ITENMUPEBAPCIU-NRFANRHFSA-N 479.610 2.256 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CC[C@@H](C)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 1748818791 GLLOOHKKDBLQEW-IRLDBZIGSA-N 470.643 2.155 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1CC[S@](=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1748819412 OIGRIBUZANIYNT-OKXSDPAFSA-N 480.631 2.182 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCCN1CC 1748887043 QSQVIMOGRQZCCF-LJQANCHMSA-N 453.616 2.185 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N(C)C1CC1 1748945742 YUQQNPQVMMSJAJ-IEBWSBKVSA-N 459.591 2.442 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1c[nH]c2ccc(F)cc12 1748962684 OCZKBLQUHMZWFZ-QGZVFWFLSA-N 459.547 2.129 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2ccc(OCCN(C)C)cc2)CC1 1749010315 PUYYLNKCDOOWPS-DEOSSOPVSA-N 494.640 2.474 30 10 JEEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 1749223254 RZDILHMSPIOSGE-IBGZPJMESA-N 475.619 2.159 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@]2(C)CN(C)C2=O)CC1 1749342784 OQGCFRTYRXCUNP-MHECFPHRSA-N 474.606 2.467 30 10 JEEE C=CC[C@H](Cn1c(CN2CCCC2=O)nnc1N(C)[C@H]1CCS(=O)(=O)C1)c1ccccc1 1749384668 FUGZXQDMSLSGFB-UXHICEINSA-N 457.600 2.384 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCCS1(=O)=O 1749541239 KCOLHONOQYVTCE-WMZOPIPTSA-N 499.634 2.187 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(C)C)CC1 1749687750 ZHSYIPKSWIRGNE-IBGZPJMESA-N 476.647 2.422 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1749724838 NYCPUBHRZOFUJW-LJQANCHMSA-N 466.629 2.122 30 10 JEEE CC(C)C(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1750572351 DIAPDVIVKXJDQU-UHFFFAOYSA-N 499.579 2.094 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1nc(C(C)(C)C)cs1 1760116539 IHISDISCBIJEIG-HOTGVXAUSA-N 480.660 2.066 30 10 JEEE C#CCN1CCN(c2nnc(CC(C)(C)C)n2C[C@@H]2CCCN2c2cc(NC)ncn2)CC1 1760261534 MZXZRCQAXRMETR-IBGZPJMESA-N 451.623 2.123 30 10 JEEE C=CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](CNC(C)=O)C1 1760422175 BOIVMEOBUORRHO-LJQANCHMSA-N 461.588 2.046 30 10 JEEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1760526235 INGUIGDDFNNKPE-OAQYLSRUSA-N 465.558 2.262 30 10 JEEE CC(=O)N1CCN(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](C(F)F)C2)CC1 1760620294 MCENNYHCYHWUGZ-FQEVSTJZSA-N 457.529 2.462 30 10 JEEE CO[C@](C)(Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(NS(C)(=O)=O)CC1)C1CC1 1769540173 GUYCMFZBAQVTEJ-JOCHJYFZSA-N 458.588 2.150 30 10 JEEE COCCN(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1771074840 HLOBFPBMQYRHIB-UHFFFAOYSA-N 488.596 2.142 30 10 JEEE COC(=O)c1ccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCN2CCOCC2)cc1 1862592557 FRHHBMCSVQPGGL-OAQYLSRUSA-N 466.490 2.089 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@H]2c2ccc(C(=O)O)cc2)cc1F 1862640074 LEXJQNYVIQPWJB-IBGZPJMESA-N 456.426 2.247 30 10 JEEE C=CCOc1ccccc1[C@@H]1C(C(=O)N(C)CCO)=C(N)Oc2c1c(C(F)(F)F)nn2C 1865225000 CQHNBZMBLIGSJZ-AWEZNQCLSA-N 452.433 2.149 30 10 JEEE N#Cc1cccc(NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CC[C@H]2CCS(=O)(=O)C2)c1 1866924712 XDCILVNEPGNDBF-LAUBAEHRSA-N 455.536 2.145 30 10 JEEE COc1ccc2c(/C=N/n3cnnc3SCC(=O)NCc3ccco3)c(C(=O)O)[nH]c2c1 1873504674 HDKDGZKYCRTKBG-NUGSKGIGSA-N 454.468 2.350 30 10 JEEE COc1ccc(Br)cc1/C=N/Nc1cnn([C@H]2CCS(=O)(=O)C2)c(=O)c1Cl 1873528962 LCCXYEDNGVEQRX-QSEIOMAKSA-N 475.752 2.473 30 10 JEEE COc1ccc(OCc2nnc(SCC(N)=O)n2/N=C/c2ccc(OC)c(OC)c2)cc1 1874292937 UABPAKNBQHFSHG-FOKLQQMPSA-N 457.512 2.343 30 10 JEEE COC1CCN(C2CN(C(=O)[C@H]3SCC(=O)N(C(C)C)[C@H]3c3ccc(C#N)cc3)C2)CC1 1892046555 RMSGPCIPAPYRIP-GOTSBHOMSA-N 456.612 2.273 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CC[S@](=O)(=NC(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)C1 2255532766 OVWQRXTZLMKJOL-MDQXEJNYSA-N 471.410 2.348 30 10 JEEE CN(CC[S@@](C)(=O)=NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1)C(=O)OC(C)(C)C 2255703077 OMOQEAPMPLPYBX-WJOKGBTCSA-N 455.386 2.419 30 10 JEEE CN(C[C@H](O)CNC(=O)OC(C)(C)C)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2266980752 AVOLZVDOKLSNPA-OAHLLOKOSA-N 452.332 2.083 30 10 JEEE CC(C)(C)OC(=O)NCC1(NC(=O)c2ccc(F)c(B3OC(C)(C)C(C)(C)O3)c2)COC1 2266983848 REUMXQBJZWCHLH-UHFFFAOYSA-N 450.316 2.148 30 10 JEEE C[C@@H](CCN(C)C(=O)OC(C)(C)C)N(C)C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2267181469 SQPHNSFOUIVUPU-HNNXBMFYSA-N 450.389 2.437 30 10 JEEE CC[C@@H](CN(C)C(=O)c1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C)NC(=O)OC(C)(C)C 2267506368 WXKDZFYAPNBYML-HNNXBMFYSA-N 450.389 2.403 30 10 JEEE CO[C@@H]1C[C@@H](C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)N(C(=O)OC(C)(C)C)C1 2268640738 JHFYFLZECITPER-HIFRSBDPSA-N 467.397 2.083 30 10 JEEE Cn1nc(C(=O)NC[C@@H]2CC3(CC3)CN2C(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2281964903 FCEZTYIKOMMYSS-HNNXBMFYSA-N 460.384 2.239 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2CCC[C@@]2(NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2282025492 PJCIMTNTDRJDNJ-IQMFZBJNSA-N 458.368 2.295 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2CN(Cc3ccccc3)C[C@]2(C)C1 2282051449 UEIUDMJWZLFIEC-UQBPGWFLSA-N 450.392 2.313 30 10 JEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2282477200 LZBHOVXSXDPCML-ZWKOTPCHSA-N 464.343 2.489 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)c(F)c2)C1 2282477918 WQOUQJSUNWOEKK-ROUUACIJSA-N 464.343 2.225 30 10 JEEE Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1O 2282683857 JCTCGBDGEKQOKL-ZWKOTPCHSA-N 460.380 2.394 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2CN(C(=O)c3nccnc3B3OC(C)(C)C(C)(C)O3)C[C@@H]21 2283063786 XJUJJZDEORRMNW-OWCLPIDISA-N 458.368 2.151 30 10 JEEE C[C@H](NC(=O)[C@@H]1CC[C@H](O)CN1C(=O)OC(C)(C)C)c1nscc1B1OC(C)(C)C(C)(C)O1 2284062989 OINFBZJSLWDQOR-DZKIICNBSA-N 481.424 2.380 30 10 JEEE CN(Cc1ccccc1)C[C@@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1F)C(=O)O 2284422582 FAEYENQMUVAZIL-HXUWFJFHSA-N 456.323 2.440 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(C(=O)N(C)CC2(O)CN(C(=O)OC(C)(C)C)C2)c1 2287296385 DVFULDGUPHWVQQ-UHFFFAOYSA-N 460.380 2.348 30 10 JEEE C[C@@H]1CN(C(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)CC2(CN(C(=O)OC(C)(C)C)C2)O1 2288574307 KDPYCIADHKZPFN-OAHLLOKOSA-N 462.352 2.429 30 10 JEEE COc1cccc(C=Nn2c(SCC(N)=O)nnc2[C@H]2CC(=O)N(Cc3ccccc3)C2)c1OC 2325917918 ZYSIPJXFXHBUJX-SFHVURJKSA-N 494.577 2.271 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1[C@H]2C[C@H](CN(c3cccc(B4OC(C)(C)C(C)(C)O4)n3)C2)[C@H]1CO 2359260308 YRBNCLWZVPMJAY-YZLZLFLDSA-N 459.396 2.339 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCN(C(=O)OC(C)(C)C)CC23CC3)n1C 2362568080 PXCKYUMVTHDMCB-UHFFFAOYSA-N 460.384 2.253 30 10 JEEE COC(=O)CCc1ccc(NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 609210579 PDRLOYQMSACUQQ-UHFFFAOYSA-N 456.524 2.202 30 10 JEEE CC#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](C(=O)O)[C@@H](C)O 757207305 HKWDTOOQORZUCL-YDFBLROQSA-N 450.491 2.257 30 10 JEEE CCOc1ccccc1NC(=O)CSc1nnc(NN=Cc2cc([N+](=O)[O-])ccc2O)n1N 1084175106 YXFVSHFFXGPEHD-UHFFFAOYSA-N 472.487 2.181 30 10 JEEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N[C@H](CO)CN(C)C)ccc1Cl 1157004461 XTWZQUBFGQGXIQ-KRWDZBQOSA-N 451.976 2.374 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](c1ccc(C)o1)N1CCOCC1 1286271012 PUYVHWAQGSGTLE-IEBWSBKVSA-N 463.542 2.358 30 10 JEEE C#CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1286364797 KARIIJVNZSGALZ-HOTGVXAUSA-N 475.370 2.451 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@H](CC)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1286393270 QKHMINYMGGXGJG-VQTJNVASSA-N 461.657 2.432 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@](C)(O)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 1286396574 WEGNVKZOMGPXTR-JTAQYXEDSA-N 464.632 2.478 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cc(Cl)c(OCC)c(OC)c2)CC1 1286470671 BFFKJSOMEZBQSH-UHFFFAOYSA-N 487.004 2.378 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1286545701 AKPBNIKWJJJQDI-WOJBJXKFSA-N 460.623 2.481 30 10 JEEE C=C(C)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCCN(C(C)=O)CC1 1286595976 PFQLSLBDGPNQNI-UHFFFAOYSA-N 451.619 2.278 30 10 JEEE C=C(C)Cn1c(N2CCC(Oc3ccnc(C(N)=O)c3)CC2)nnc1[C@]1(OCC)CCOC1 1286599669 ZEKOCTWSZCRFJA-QHCPKHFHSA-N 456.547 2.048 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCCO2)n1CCN1CCCS1(=O)=O 1286742567 MHVYZGVRLJETKN-HXUWFJFHSA-N 461.588 2.366 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCNC(=O)[C@H]1CC 1286782721 DFMHSCJDJNRERA-MRXNPFEDSA-N 461.364 2.033 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCNC(=O)c2cc[nH]n2)C1 1286806110 AFMLQBMEKIKLGT-SFHVURJKSA-N 455.950 2.457 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1286817318 SPVUNMSMXXOIQE-HXUWFJFHSA-N 459.616 2.413 30 10 JEEE CC(C)(Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1)c1cccs1 1287093050 FOQDCDVBPHAVMN-FOIQADDNSA-N 482.607 2.092 30 10 JEEE COc1ccc(CCc2nnc(N3CCN(c4c(C#N)c(C)nn4C)CC3)n2C[C@H](C)N(C)C)cc1 1300126469 GGEXLWCCGVRXFB-IBGZPJMESA-N 491.644 2.262 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2CC[C@@H](OC)C(F)(F)F)c1 1300336284 BVSAUKGIIKTZDQ-GOSISDBHSA-N 492.502 2.424 30 10 JEEE C#CCN(c1nnc(-c2sc(-c3ccccc3)nc2C)n1CC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1300483310 KOUQLRPDUAGPOG-GOSISDBHSA-N 498.634 2.092 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCC(F)(F)C1)[C@H]1CCS(=O)(=O)C1 1300504958 WQJKFHIZFQGCLG-ROUUACIJSA-N 466.558 2.202 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCOc1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 1300505764 IROJQJBEBKOXGB-PKOBYXMFSA-N 464.975 2.489 30 10 JEEE C#CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1(C)CC1)[C@H]1CCS(=O)(=O)C1 1300506153 NQGUJXWWWBMUIB-KSZLIROESA-N 477.631 2.476 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(C)CCCC2)n1 1300680764 DGCVXJOLDRJPHD-IBGZPJMESA-N 474.631 2.243 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccnc(SCC)c2)CC1 1300682818 RWBMSQFKTXSRKI-UHFFFAOYSA-N 462.583 2.236 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@]2(OC)CCOC2)CC1 1300689323 UJTIKFIAVPHTIV-OAQYLSRUSA-N 478.366 2.407 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(NC(=O)NC(C)C)cc1 1300780631 VLFVWYUOXVCBGU-GAJHUEQPSA-N 487.630 2.459 30 10 JEEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2ncccc2C#N)CC1 1300838988 BBYCUQXTHWVFTP-UHFFFAOYSA-N 454.336 2.180 30 10 JEEE C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1300931236 XKCFPWFYQGZOOJ-UHFFFAOYSA-N 496.391 2.252 30 10 JEEE C=C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2ccc(C(N)=O)nc2)CC1 1301072071 CQMUWLHLTUOAMC-UHFFFAOYSA-N 452.540 2.047 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)Oc1ccccc1)C1CC1 1301327865 ZIANDMNMXLFXHF-PXNSSMCTSA-N 461.588 2.233 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(C(=O)OCC)CC1 1301510423 XSBAFTYFKPRBLT-UHFFFAOYSA-N 456.547 2.055 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N(CC)Cc1nc(O)c2ccccc2n1 1301579605 XULSFSQOHPVTPI-UHFFFAOYSA-N 480.554 2.011 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCCC[C@H](COC)C1 1301585545 CUKQWTJXLUSEID-IBGZPJMESA-N 472.615 2.370 30 10 JEEE C#CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1358905601 FOWCHUOYSMPOFL-UHFFFAOYSA-N 490.406 2.012 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCN(C)c2ccccc2)CC1 1359044630 KQHDIDNZTNQDFP-OAQYLSRUSA-N 450.587 2.274 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC=CO1 1359259438 WKMWXHXJWYAPRU-SFTDATJTSA-N 473.599 2.496 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@]2(N(C)C)CCSC2)C1 1359326864 LNDZNCJHFLKYIV-WEMPKCCASA-N 451.637 2.221 30 10 JEEE C=CCOc1ccc(/C=C/C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)OC(C)(C)C)cc1OC 1460851863 ZAEAPRBEFHIEJA-VMSUTVGLSA-N 451.541 2.241 30 10 JEEE CS(=O)(=O)C1(Cn2c(COc3ccc(F)cc3)nnc2N2CC[C@](F)(C#N)C2)CCC1 1505120498 GMBCILDDJSDXGP-IBGZPJMESA-N 451.499 2.405 30 10 JEEE C#CCCCCn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1507568604 WVIXNBCUJHSSSZ-UHFFFAOYSA-N 455.632 2.182 30 10 JEEE C#CCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1507580361 BCTNKDYVRZSUEZ-QGZVFWFLSA-N 456.934 2.493 30 10 JEEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1Cc1cccnc1N1CCOCC1 1507604236 ZEWZOKBAINERFO-UHFFFAOYSA-N 470.375 2.395 30 10 JEEE C#CCN(c1nnc(C(C)C)n1CCCCNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1507621964 DKFLIQRZGGGGPC-KRWDZBQOSA-N 453.609 2.333 30 10 JEEE C#CCN(c1nnc(C(C)C)n1C[C@@H](c1cccc(OC)c1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1507622058 FLOCTHVVQZMTBU-CTNGQTDRSA-N 459.616 2.340 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1Cc1nccs1)[C@@H]1CCS(=O)(=O)C1 1507625583 KJJCRENBVATAHL-CQSZACIVSA-N 495.428 2.178 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCc1csc(CC)n1)[C@@H]1CCS(=O)(=O)C1 1507632528 MWMPHLGYVYBAFB-SJLPKXTDSA-N 463.629 2.060 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H](C(C)C)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1507635812 VUCCWWVGQMNSKY-VXKWHMMOSA-N 470.643 2.011 30 10 JEEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCCn1ccnn1 1507652075 DHADWPHISODRGB-UHFFFAOYSA-N 452.563 2.147 30 10 JEEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H]1CC[C@H](CO)O1 1507653688 QGSYRFLDNGCIAI-VQTJNVASSA-N 457.575 2.005 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC(=O)NCc1ccco1 1507655560 LASZXWYCGDKYGY-IBGZPJMESA-N 466.542 2.332 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2(OCC)CCCC2)CC1 1507718317 OCZQHZNTSWBPNY-UHFFFAOYSA-N 471.627 2.453 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCN2CCOCC2(C)C)CC1 1507720959 KKYFGWFHWGSSKB-UHFFFAOYSA-N 473.021 2.473 30 10 JEEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2CCCCN2CCOCC2)CC1 1507726873 MHWYSGOABLKQPK-UHFFFAOYSA-N 466.630 2.342 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2CCNC(=O)Cc2cccc(F)c2)CC1 1507726936 FHSCNEPECJJFNO-UHFFFAOYSA-N 466.586 2.184 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H](OC)C(C)C)CC1 1507729601 IXQWLMDOYMFPCG-UXHICEINSA-N 476.622 2.013 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@](C)(O)c2ccco2)CC1 1507743074 YLKZQCOAVUYVSH-VWLOTQADSA-N 465.529 2.475 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1508073568 KUQKCNLXQMFKAE-UHFFFAOYSA-N 469.908 2.288 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](Cc2ccc(F)cc2)C1 1508139500 BEQSIZZWAALEBX-MJGOQNOKSA-N 461.563 2.038 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(O)(c2ccccc2)CC1 1508147895 MRAJQAQYNGVUGA-FPOVZHCZSA-N 490.626 2.091 30 10 JEEE C[C@@](O)(Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](C#N)C1)c1cccs1 1510231199 AWNYEQNNWURTIQ-HRAATJIYSA-N 473.580 2.047 30 10 JEEE CO[C@@H](Cn1c(-c2cccn2C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1)C(C)C 1517822490 GTKLJIHUHLHVBQ-FQEVSTJZSA-N 451.579 2.195 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H](OCC)C1CCCC1 1539013115 HZHMCMBJEVOQBN-DFQSSKMNSA-N 467.636 2.054 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OCC)CCOC3)n2Cc2cnn(CC)c2)c1 1539040571 XJPJMSMQEFLJLU-VWLOTQADSA-N 477.569 2.251 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](C)CN2CCCC2)c1 1539042357 FIIXOMMQVYAAJU-GHTZIAJQSA-N 463.586 2.017 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1CCc1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1539226235 VYTQSOAVJSQIKC-GOSISDBHSA-N 459.597 2.405 30 10 JEEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cccnc1OCC(F)(F)F 1539237958 OBFFYPWZPCHVRF-OAQYLSRUSA-N 463.460 2.387 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2ccccc2F)n1CCN/C(O)=C1/N=CC=CC1=O 1539238851 DBZSGTXYJWAOOZ-JEBJBBSMSA-N 462.485 2.156 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1c(F)cccc1OC(F)F 1539324556 VRRXXUAGWFVXAF-HNNXBMFYSA-N 466.485 2.432 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2CC[C@@H](C(F)F)N2CCOCC2)CC1 1539468598 GCPINYIZXNIMNL-HKUYNNGSSA-N 466.577 2.113 30 10 JEEE C=C(Cl)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1539788097 YORHLGHVSFMBAF-MRXNPFEDSA-N 460.922 2.188 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N(C)[C@@H]1CCN(Cc2ccccc2)C1 1540903010 WGSBSUXPTYTHRV-LEWJYISDSA-N 459.616 2.094 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](CNC(=O)c2ccccc2)C1 1540907579 BGEPFAGWUWNIRB-PZJWPPBQSA-N 487.626 2.377 30 10 JEEE C#CCN(c1nnc(-c2cccc(Br)c2)n1CC[S@](=O)CC)[C@@H]1CCS(=O)(=O)C1 1588035157 PMCMKMQZMMGLKZ-JYRCXFKTSA-N 499.456 2.103 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCCO[C@H]1C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1588049750 LEMVEHAPEYJYAG-DFQSSKMNSA-N 474.631 2.147 30 10 JEEE C#CCN(c1nnc(C2CC2)n1Cc1cccnc1OCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1588049970 OONGRWCEBYGTSS-INIZCTEOSA-N 469.489 2.167 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(N(C)C)CCC1 1588193288 AHYFYDHHJHOJPR-UHFFFAOYSA-N 468.627 2.143 30 10 JEEE C#CCN(CCOC)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@]1(O)CCN(C)C1 1588696974 PAHPQORCRHCUBP-NRFANRHFSA-N 468.385 2.317 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@@H](C)CN2CCOCC2)CC1 1588779943 FAWBFZARRIQVTH-IBGZPJMESA-N 473.021 2.331 30 10 JEEE C#CCN1CCN(c2nnc(-c3noc4c3COCC4)n2C[C@H](C(CC)CC)N(C)C)CC1 1588806545 UVKNUOBOPNIOHC-HXUWFJFHSA-N 455.607 2.127 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CC[C@H](N2CCOCC2)C(F)(F)F)CC1 1588885619 XXDSICALTNIONX-SFHVURJKSA-N 484.567 2.195 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCNC(=O)c2ccc(C)c(F)c2)CC1 1588929790 GVYJQFXFQWDVQB-JOCHJYFZSA-N 496.587 2.363 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ccc(F)cn2)CC1 1588975145 DTOHFJCDVZKYHW-UHFFFAOYSA-N 466.546 2.153 30 10 JEEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1594693301 XANVFTCLAMQCDT-GOSISDBHSA-N 452.602 2.328 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCS[C@H](C)C1 1595537234 OEBPPKRYLMWUSF-MRXNPFEDSA-N 467.599 2.309 30 10 JEEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@@H](C(F)F)C1 1595545062 QRRHTSDSOMBMHS-QGZVFWFLSA-N 460.533 2.236 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(N3CCOC3=O)cc2)C1 1595664492 FOTBMZGUTQCJLA-LJQANCHMSA-N 454.531 2.203 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC[S@](=O)CC)C1 1595730720 YFACYCFXDQRPLD-PAEXWAINSA-N 483.635 2.136 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(C)C)CC1 1595831632 VCJQBZNZTLSFKT-RTBURBONSA-N 453.653 2.328 30 10 JEEE CC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCOC(C)(C)C2)CCO1 1614261447 CBNYGOXSEGSKFZ-HXUWFJFHSA-N 454.575 2.455 30 10 JEEE C=C[C@@](C)(O)CC(=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2Cl)CC1 1628216129 KUKFTLBQTYQZHM-MRXNPFEDSA-N 451.770 2.263 30 10 JEEE C#CCNS(=O)(=O)c1ccc(C(=O)N(Cc2ccc(O)cc2)C[C@@H]2CCCN2CC)cc1 1630850695 CHVUSHJWYPIGNS-NRFANRHFSA-N 455.580 2.430 30 10 JEEE C=CCOc1ccccc1CNC(=O)Nc1ccc(NC(=O)CCN2C(=O)CNC2=O)cc1 1676181632 ZDPBEXSUJWLMAF-UHFFFAOYSA-N 451.483 2.454 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1(NC(=O)OC(C)(C)C)COC1 1689841285 CSGLOEAMKQLHEP-INIZCTEOSA-N 469.542 2.468 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(NC(C)=O)nc1)[C@H]1CCS(=O)(=O)C1 1689984446 PKCUYGDPTYYQPQ-SFHVURJKSA-N 499.984 2.022 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1689993856 MQHXLIXJRSMNER-PKOBYXMFSA-N 479.647 2.360 30 10 JEEE C#CCN1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CC(C)(C)COCC)CC1 1690113197 CLTSPUAGPBBBRW-UHFFFAOYSA-N 487.674 2.365 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@H](C)SC)CC1 1690124211 HKTNRCRNYABKAR-QZTJIDSGSA-N 464.636 2.093 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2Cc2ccc(OC)nc2OC)CC1 1690132120 IDBOPCHQEMABKJ-UHFFFAOYSA-N 462.554 2.381 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2CC[C@@H](F)C2)CC1 1690137569 CVUCXYGLAZZOPU-NRYAXDJKSA-N 461.582 2.423 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2CC[C@H](F)C2)CC1 1690137571 CVUCXYGLAZZOPU-WXVUKLJWSA-N 461.582 2.423 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H]2CCCN(C(C)C)C2)CC1 1690137658 GDOUKLOJSWPRIP-RLWLMLJZSA-N 486.661 2.016 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CC[C@@H](OC)C(F)(F)F)CC1 1690141785 CCVQSAPKJSFXDR-QGZVFWFLSA-N 450.465 2.273 30 10 JEEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)C[C@H]1CCCOC1 1690159641 HWXRDOHGEHYNRJ-GOSISDBHSA-N 477.656 2.425 30 10 JEEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1690188942 QQUCLJHCUYQXMX-VQTJNVASSA-N 460.648 2.019 30 10 JEEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1690231388 AFDXCSVNECWKOA-ZDUSSCGKSA-N 465.318 2.382 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CC(=O)NCC)CC1 1690241892 YRKGESNHWKBMAX-SIKLNZKXSA-N 483.573 2.093 30 10 JEEE C=CC[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](S(C)(=O)=O)C1)c1ccccc1 1690444543 JDDRQURAJVNXSM-VAMGGRTRSA-N 478.640 2.163 30 10 JEEE C=CCCCCn1c([C@H]2CCOC2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1690464515 DAMCUSXVVGKMHX-KRWDZBQOSA-N 466.633 2.414 30 10 JEEE C=CCCOCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(C(=O)NC)CC1 1690508928 SSMVQSFWDVJCDF-UHFFFAOYSA-N 468.606 2.007 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@]2(CNC(=O)C2)C1 1690715525 NPIOJAXHRPDPSB-DVECYGJZSA-N 487.626 2.352 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1690723651 XSDRSYZUVCXEQL-KKSFZXQISA-N 451.593 2.250 30 10 JEEE C[C@H](CC#N)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCN1CCCC1 1692660402 CFBHTQZOJZCKOF-JOCHJYFZSA-N 450.635 2.477 30 10 JEEE Cc1cc(C)n(Cc2nnc(N(C)C[C@H](C)C#N)n2Cc2ccc(N3CCO[C@@H](C)C3)nc2)n1 1693415943 HNQJUGIBVZXEDW-XLIONFOSSA-N 463.590 2.404 30 10 JEEE CC[C@H](C)NC(=O)c1cccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)c1 1694209333 AXEPYQIBNPAJPN-LAUBAEHRSA-N 484.626 2.497 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CC1=CCCCC1)[C@@H]1CCS(=O)(=O)C1 1705562317 ZTPLROJMEYEKAO-GOSISDBHSA-N 454.556 2.053 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CC1(N(C)C)CCCC1)[C@H]1CCS(=O)(=O)C1 1705567887 BSDTZLYIMYLUGI-NRFANRHFSA-N 496.637 2.230 30 10 JEEE C#CCN(c1nnc(CC)n1C[C@H]1CCN(c2ccccc2OC)C1)[C@@H]1CCS(=O)(=O)C1 1705571132 WATOCBZCJIQSHU-RBUKOAKNSA-N 457.600 2.002 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccnc(Oc2ccccc2F)c1 1705573736 MTSNXFYIMRHJHD-QGZVFWFLSA-N 482.541 2.336 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(OC)c2)n1C[C@]1(N2CCOCC2)CCSC1 1705576139 HEEMCMOLMIXZEX-XMMPIXPASA-N 451.596 2.234 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2c(F)cccc2F)n1CC1(N2CCOCC2)CC(OCC)C1 1705584038 VDYNAMOHEJRAPP-UHFFFAOYSA-N 483.563 2.490 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCCNC(=O)C(C)C)CC1 1705633155 KYELVBIRYILSDJ-IBGZPJMESA-N 456.566 2.475 30 10 JEEE C=C(C)COCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(CC(N)=O)CC1 1705737354 OYLDVCICVSUGJX-IBGZPJMESA-N 492.621 2.271 30 10 JEEE C=CCCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1705815368 UFJJHGMIWLNHBY-UHFFFAOYSA-N 484.601 2.492 30 10 JEEE C=CCCOCCn1c(N2CCC3(CCN(C)C3=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1705832863 LLUBJRCMIJNDIH-DEOSSOPVSA-N 461.607 2.360 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1705905344 SEXOLKYDAQLYLJ-IBGZPJMESA-N 454.550 2.053 30 10 JEEE C=CCNC(=O)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC[C@H](NC(=O)OCC)C1 1705906277 YTZMDUVIBMDOMX-SFHVURJKSA-N 465.558 2.367 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC(CC(=O)NC)CC1 1705932086 KQORDRDIJQTOAP-UHFFFAOYSA-N 497.625 2.084 30 10 JEEE CCC[C@H](C)C(=O)NCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1709457997 FWOSICIQUKRRPD-SFHVURJKSA-N 498.607 2.306 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C(F)F)c1 1722296680 UDULPLLXIDNSMQ-WMLDXEAASA-N 453.515 2.055 30 10 JEEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cccc(CN2CCO[C@@H](C)C2)c1 1722357799 PUSADYAUVZYUOJ-VJBMBRPKSA-N 453.587 2.341 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2ccccc2OC)CCC1 1722413032 HOMVDERJNLYMAH-NRFANRHFSA-N 487.626 2.201 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(Br)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1722422199 PRWWBMDTSZBLFH-MRXNPFEDSA-N 496.431 2.075 30 10 JEEE C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1CCn1c(O)nc2ccccc21 1722426126 ZKVZQAYLPFNKSG-UHFFFAOYSA-N 451.556 2.475 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2([S@@](C)=O)CCC2)CC1 1722443349 HGBFIXZBSMDXNW-UUWRZZSWSA-N 484.582 2.120 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCN(C)C(C)C)CC1 1722447217 JHSIYIBYPLZDHZ-QFIPXVFZSA-N 466.586 2.097 30 10 JEEE C=C(C)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1722522861 ICJCOBPSTAJKOL-VQIMIIECSA-N 466.542 2.172 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCc1cnn(C)n1 1722659609 XZVROXZPBLJFGE-LJQANCHMSA-N 455.588 2.134 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(Cc1ccc(F)cc1)C(C)C 1722727986 MKWHQXUPPWGXQL-GOSISDBHSA-N 484.619 2.335 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1722731422 KGNOOGDUGYOQMZ-HXUWFJFHSA-N 487.626 2.276 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1Cc1ccccc1CN1CC[C@@H](O)C1 1740531337 JZOBANLSAAHUOI-XMSQKQJNSA-N 452.603 2.269 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CCc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1740617906 YSMSDMJDRDLVCM-RDGATRHJSA-N 486.638 2.497 30 10 JEEE C#CCN(CCOC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC(=O)NC(C)C 1740684811 BUAZZVMEQHMFMU-UHFFFAOYSA-N 462.595 2.003 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC2(COC)CCOCC2)CC1 1740689491 DIJYJBDGABSJRZ-UHFFFAOYSA-N 480.613 2.346 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccc(C(C)(F)F)c2)CC1 1740705039 BCOGGIMKNAOHNM-LJQANCHMSA-N 470.524 2.355 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1 1740763445 LIUKPRLGNDMXOR-HYBUGGRVSA-N 480.569 2.005 30 10 JEEE C=CCCOCCn1c(-c2ccccc2C)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1740882868 AWMCCXBYMWFEGJ-OAQYLSRUSA-N 489.642 2.477 30 10 JEEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1740995446 MKPMTMRAQZZPJC-IBGZPJMESA-N 459.620 2.152 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(OCCN2CCCC2)cc1 1741129415 DFNNHHOBFXPBHP-NQIIRXRSSA-N 451.575 2.348 30 10 JEEE Cc1n[nH]cc1CCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(S(C)(=O)=O)CC1 1742049598 HXTJWXXSYXGFBV-UHFFFAOYSA-N 453.572 2.495 30 10 JEEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@]2(C)CCCS2)c1 1747602063 CTZWOKPCINIJNB-DYESRHJHSA-N 476.628 2.210 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)c1cccs1 1748672388 TXMPMCLHGCQIRM-HOTGVXAUSA-N 451.618 2.108 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1748823851 DANRHZQKJBFEJY-MSOLQXFVSA-N 495.646 2.138 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2OC)n1CC1(S(C)(=O)=O)CCCC1 1748835788 ISKBHRYHYPGDSW-UHFFFAOYSA-N 456.568 2.393 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(F)cc3Br)n2Cc2nncn2CC)CC1 1748982701 APSDHRIMRIDKTC-UHFFFAOYSA-N 473.354 2.262 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H](OC)C(C)(C)C)CC1 1749003450 KIOGLNYCUWTAHJ-NLFFAJNJSA-N 475.634 2.346 30 10 JEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)Cc2cccc(F)c2)CC1 1749033618 KBBXQPYVUJPOIV-FQEVSTJZSA-N 484.601 2.016 30 10 JEEE C=C(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)CCc2ccc(OC)cc2)CC1 1749169116 OMSSRFGXWHRGKN-UHFFFAOYSA-N 454.575 2.282 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1749175559 IRLPDXGRHOEDCC-HKUYNNGSSA-N 475.615 2.292 30 10 JEEE C=C(C)Cn1c(-c2ccccc2OC)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1749186402 VBZZPPFIKRNGRB-SFHVURJKSA-N 461.588 2.161 30 10 JEEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1749232923 XZTBGAAAAZHCOR-GOTSBHOMSA-N 495.672 2.483 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1749368914 TYJMJDYLPHCOQM-QUCCMNQESA-N 491.662 2.016 30 10 JEEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1(NC(=O)OC(C)(C)C)COC1 1749489520 XSTOPQVOLOKONI-UHFFFAOYSA-N 484.605 2.368 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)N2CCCC2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1749687361 PQNMLYIWGSCXEH-HXUWFJFHSA-N 466.586 2.432 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1749725098 PFMQGXFEBZOZAU-QFIPXVFZSA-N 473.643 2.409 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(CCN2[C@H](C)CC[C@H]2C)CC1 1749731384 CHMXPSIHACSDSI-WOJBJXKFSA-N 464.680 2.141 30 10 JEEE Cc1cnn(CCn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)c1 1751728647 BCOSADMSDVLPPS-ROUUACIJSA-N 471.587 2.192 30 10 JEEE C#CCN(c1nnc(CC)n1CCc1ccc(OC)c(OC)c1Cl)[C@@H]1CCS(=O)(=O)C1 1760186533 OICZYLPBZUHRRC-MRXNPFEDSA-N 466.991 2.381 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1Cc1nc(C)cs1)[C@@H]1CCS(=O)(=O)C1 1760189438 INUOUOHOIAPVRV-QGZVFWFLSA-N 459.572 2.448 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1CCCN(C(C)=O)C1 1760211961 OXNOGAABHOYPAY-NRFANRHFSA-N 495.653 2.268 30 10 JEEE C#CCN1CCN(c2nnc(CCCc3ccccc3)n2C[C@@H](C)N2CCN(CC)CC2)CC1 1760263309 WCYRSKSYNAHMHB-XMMPIXPASA-N 463.674 2.235 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCO[C@H]2CCCC[C@H]2C)CC1 1760268635 NJNKQROFWJCWNF-NQIIRXRSSA-N 453.591 2.240 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2ncc(F)cn2)CC1 1760313736 PPKJCKXVFSEONN-XLIONFOSSA-N 486.596 2.433 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@]1(O)CCS(=O)(=O)C1 1760339196 ZVOVXHNVKLQBGT-WZONZLPQSA-N 497.662 2.345 30 10 JEEE C=CCC(C)(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC(=O)N(C)C[C@@H]1C 1760408934 JKWZRSFXXVCIRS-KRWDZBQOSA-N 474.631 2.465 30 10 JEEE C=CCn1c(Cc2ccsc2)nnc1N1C[C@@H]2[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1760511601 AIFFPOHHUMJBFP-IXDOHACOSA-N 479.628 2.243 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCN(C(=O)OCC)CC1 1760551255 YNLOLWBMAIXQNN-UHFFFAOYSA-N 499.597 2.215 30 10 JEEE CC(C)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCC(=O)N(C)C)[C@H](C)C1=O 1761120644 AVBMVEDOXOUWPV-GOSISDBHSA-N 451.575 2.378 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1761356265 DCSZVUKESNXJEW-BZSNNMDCSA-N 480.552 2.010 30 10 JEEE CC[C@H](C)N(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1763894124 APMZMZVDHHZIQR-NZQKXSOJSA-N 478.645 2.290 30 10 JEEE CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC1(SC)CCN(C)CC1 1766395903 FXUBNDCJYIOIOD-UHFFFAOYSA-N 470.647 2.235 30 10 JEEE COC(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)NC(C)(C)C)C1 1767879055 GMKXFLUQCQIXQZ-SFHVURJKSA-N 468.558 2.423 30 10 JEEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCC[C@@H]2C)CC1 1771149429 DEGREBVOLGFPLX-YADARESESA-N 454.575 2.048 30 10 JEEE COc1ccc2nc(N3CCN(S(=O)(=O)c4ccc5nc(O)oc5c4)CC3)c(C#N)cc2c1 1857959979 ZXRQJHSSXBIPEQ-UHFFFAOYSA-N 465.491 2.473 30 10 JEEE COc1ccc(-c2nnc(N3CCN(CC(=O)[C@@H](C#N)c4nc5ccccc5n4C)CC3)nc2O)cc1 1859428139 MBLSMAVYWMJSCS-LJQANCHMSA-N 498.547 2.138 30 10 JEEE Nc1cccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccccc2C(=O)O)c1 1862559264 KRAWPIOKBKUNEM-NRFANRHFSA-N 465.506 2.268 30 10 JEEE CCCCCCCCn1cc(OCC(=O)N[C@@H](C)CC)c(=O)cc1CN(CCO)CCO 1870527478 FOBLREVYWSXUAE-FQEVSTJZSA-N 453.624 2.289 30 10 JEEE C=CCn1c(C(=O)NC[C@@H](C)O)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873593083 DSRNAMZAZWDSBB-QGZVFWFLSA-N 450.543 2.063 30 10 JEEE CC(=O)NCc1nnc(SCC(=O)Nc2ccccc2)n1/N=C/c1ccc([N+](=O)[O-])cc1 1874431593 VVWYRDHBLIBRFH-SSDVNMTOSA-N 453.484 2.435 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H](C(=O)NCc2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2180991730 QMNLIOQTOZVASL-MJGOQNOKSA-N 460.380 2.220 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2247952870 PACUMLSODQQFJG-BETUJISGSA-N 458.411 2.381 30 10 JEEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)[C@H]2C[C@@H]21 2255753826 WLODBRZRPXSIAQ-KBPBESRZSA-N 470.422 2.430 30 10 JEEE C=C(CS(=O)(=O)N(C)C[C@@]1(O)CCN(Cc2ccccc2)C1)B1OC(C)(C)C(C)(C)O1 2255795862 YQIKXSZQMCNQGY-QFIPXVFZSA-N 450.410 2.073 30 10 JEEE Cc1sc(C)c(S(=O)(=O)N(CC(N)=O)Cc2ccccc2)c1B1OC(C)(C)C(C)(C)O1 2255796286 OOFKNMRXHCKPKI-UHFFFAOYSA-N 464.418 2.340 30 10 JEEE C[C@@H](CCNC(=O)c1nn(C)c(Cl)c1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2255817390 UMYXWBJZOZLZEK-LBPRGKRZSA-N 456.780 2.406 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@@H]1CNC(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2255877508 KBGTYSWOVXGRDU-AWEZNQCLSA-N 452.382 2.413 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1COCC[C@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2256637783 ZOKZXHMRCWQYHB-OLZOCXBDSA-N 453.370 2.311 30 10 JEEE Cc1nc(C(=O)N2C[C@@H](NC(=O)C(F)(F)F)CC[C@@H]2C)c(B2OC(C)(C)C(C)(C)O2)s1 2267175178 ZCMLVPMAVSTYJL-JQWIXIFHSA-N 461.315 2.422 30 10 JEEE Cc1cc(S(=O)(=O)N2C[C@H]3[C@H](NC(=O)OC(C)(C)C)[C@H]3C2)sc1B1OC(C)(C)C(C)(C)O1 2267359622 OJGTTZMIZXOACV-FOLVSLTJSA-N 484.449 2.499 30 10 JEEE CN(CC1CN(C(=O)OC(C)(C)C)C1)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2267368577 LBSDUCOPEWDARJ-UHFFFAOYSA-N 466.409 2.473 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1)C1CC1 2267705500 IUQKQIIFDQQNGR-AWEZNQCLSA-N 487.453 2.165 30 10 JEEE C[C@H](CCNC(=O)OC(C)(C)C)CCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2268710036 NFHGGHICAXETQY-HNNXBMFYSA-N 450.389 2.390 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)Nc2ccc(F)cc2B2OC(C)(C)C(C)(C)O2)C1 2268715623 RFKLPFYIPXJLBL-JOCHJYFZSA-N 450.316 2.435 30 10 JEEE C[C@H](C(=O)NCc1sccc1B1OC(C)(C)C(C)(C)O1)N1CC(NC(=O)OC(C)(C)C)C1 2268718981 WWFWVUUEFXKYFI-CQSZACIVSA-N 465.425 2.261 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(F)c2B2OC(C)(C)C(C)(C)O2)C[C@H](O)C1 2281774125 WNVWPGWIBZZNMJ-HNNXBMFYSA-N 464.343 2.179 30 10 JEEE CC1(C)OB(c2cnccc2C(=O)NCC[C@@H]2CN(Cc3ccccc3)CCO2)OC1(C)C 2281807360 PNLNIMOHODXKNC-HXUWFJFHSA-N 451.376 2.402 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H](CNC(=O)OC(C)(C)C)C(F)(F)F)n1 2282041815 BRUIMCPZFCGAGD-LBPRGKRZSA-N 476.305 2.152 30 10 JEEE Cn1cc(C(=O)N2CC[C@H]3[C@@H](CCN3C(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2282051571 IQLSZUTZIYSBSU-RDJZCZTQSA-N 460.384 2.191 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H]2OCCN(C(=O)c3sncc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2282055804 JJQYMLGRMVNHTO-JKSUJKDBSA-N 479.408 2.293 30 10 JEEE CCc1nn(C)c(C(=O)N2C[C@@H]3C[C@H](C2)N3C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2282057793 LHPZOHCVRJMGIP-GASCZTMLSA-N 460.384 2.116 30 10 JEEE Cc1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2CO)c(B2OC(C)(C)C(C)(C)O2)c1 2282117732 VLMXXFGNEBCHRK-QGZVFWFLSA-N 460.380 2.348 30 10 JEEE Cc1cc(S(=O)(=O)NC[C@@H]2CCCN(C(=O)C(F)(F)F)C2)sc1B1OC(C)(C)C(C)(C)O1 2282305513 ZPAOGEZWCQGSBP-ZDUSSCGKSA-N 496.382 2.435 30 10 JEEE CN(C[C@H](O)CN(C)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1F)C(=O)OC(C)(C)C 2282406877 PUBGKRMSVSNQFY-MRXNPFEDSA-N 466.359 2.425 30 10 JEEE CCc1nc(C(=O)N[C@@H]2COCC[C@H]2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2282527149 YYRCAMPPOHXZSB-ZIAGYGMSSA-N 481.424 2.417 30 10 JEEE Cc1c(C(=O)NC[C@@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282544826 UOTFFTKKGMDWOH-GDBMZVCRSA-N 462.400 2.403 30 10 JEEE Cc1c(C(=O)NC2CC3(C2)C[C@H]3NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282593900 WYEJQSZTPHDTSU-UVOCGCJZSA-N 460.384 2.203 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@]23CCN(C(=O)OC(C)(C)C)C[C@@H]2C3)n1 2282599071 NRKLERYWDUJHBZ-WNSKOXEYSA-N 460.384 2.332 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1C[C@@H]2NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282832571 AXMVOABSZQKGDG-ILXRZTDVSA-N 499.464 2.260 30 10 JEEE COC[C@H](ONC(=O)OC(C)(C)C)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1OC 2283946242 LALCLFGLULADGO-KRWDZBQOSA-N 466.340 2.404 30 10 JEEE C[C@H](c1nscc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)CN1CC(NC(=O)OC(C)(C)C)C1 2283952925 NHTPQHNSAGRHFM-CQSZACIVSA-N 480.440 2.171 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](C(=O)NCc1sccc1B1OC(C)(C)C(C)(C)O1)[C@@H](O)C(F)(F)F 2284128746 ITERXOWPYCQYBY-ZIAGYGMSSA-N 494.341 2.480 30 10 JEEE COC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCc1c(F)cccc1B1OC(C)(C)C(C)(C)O1 2289659395 PMLLEAHFQGHGGR-SFHVURJKSA-N 466.359 2.323 30 10 JEEE CCOc1ccc(CCc2nnc(SCC(N)=O)n2N=Cc2ccc(O)c(O)c2)cc1OC 2325888837 OYEVZJOFHOYIOV-UHFFFAOYSA-N 471.539 2.341 30 10 JEEE CCOc1ccccc1OCc1nnc(SCC(N)=O)n1N=Cc1ccc(O)c([N+](=O)[O-])c1 2326821114 VAXSAMJCSBUCPH-UHFFFAOYSA-N 472.483 2.329 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H](C)[C@H]2C)n1C 2362337706 AJZQEEJSPBKGPL-HUUCEWRRSA-N 462.400 2.498 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@]1(C)CN(C(=O)OC(C)(C)C)CC1(F)F 2362357665 PSDZAPFNFZGDDI-FQEVSTJZSA-N 470.326 2.094 30 10 JEEE CC(C)(C)OC(=O)NCCC1(O)CCN(C(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)CC1 2362577693 BMQAPEPSVIFSSV-UHFFFAOYSA-N 481.424 2.324 30 10 JEEE CC(C)(C)OC(=O)NC1[C@H]2CN(C(=O)c3cc(F)c(B4OC(C)(C)C(C)(C)O4)cc3O)C[C@H]12 2364934982 HMYMSMPSFOQMLG-KBPBESRZSA-N 462.327 2.426 30 10 JEEE N#Cc1cc(C#N)c(SCC(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)nc1N 59497530 XRKNKACMKGUFJX-UHFFFAOYSA-N 471.549 2.395 30 10 JEEE CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC#CCOc2cccc(NC(C)=O)c2)cc1 90732077 NBUHFXJADDTSGY-UHFFFAOYSA-N 457.552 2.488 30 10 JEEE COc1ccc(C=NN=C2NC(=O)[C@H](CC(=O)Nc3ccccc3)S2)c(C(=O)O)c1OC 252514497 CQVCIBLDOOBUFU-HNNXBMFYSA-N 456.480 2.352 30 10 JEEE CN(c1cccc(B2OC(C)(C)C(C)(C)O2)c1)S(=O)(=O)CCN1C(=O)c2ccccc2C1=O 704368337 QNUNFQNSUAZJTH-UHFFFAOYSA-N 470.356 2.048 30 10 JEEE C=CCOc1ccc(/C=C/C(=O)NCCN=c2ncnc3n(C)[nH]c(Br)c2-3)cc1OC 729458416 ABKFKHZRRXPLQX-HSBSRBQESA-N 487.358 2.314 30 10 JEEE COc1cc(C=NNc2nc(SCC(=O)NCc3ccc(F)cc3)n[nH]2)c([N+](=O)[O-])cc1O 1084117755 LGMAFDHWWQDXGT-UHFFFAOYSA-N 475.462 2.421 30 10 JEEE NS(=O)(=O)c1ccc(NC(=O)CCSc2n[nH]c(NN=Cc3cc(Cl)ccc3O)n2)cc1 1084344502 WPOICRPSJBTSIH-UHFFFAOYSA-N 495.974 2.378 30 10 JEEE COc1cc(C=NNc2nc(SCC(=O)NCc3ccc4c(c3)OCO4)n[nH]2)ccc1O 1084466766 SQJFBZRLELPEHN-UHFFFAOYSA-N 456.484 2.102 30 10 JEEE C=CCn1c(SCC(=O)N2CCC[C@@H](O)[C@H]2C(=O)OC)nnc1-c1ccc(Cl)cc1 1138246424 QOAFGQUXZGRHEU-WBVHZDCISA-N 450.948 2.402 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1(O)CC(OCC)C1 1286288534 HQMUZNVYSCRUKK-IZCQSFSNSA-N 450.543 2.063 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@@H]1CC(F)(F)CO1)[C@@H]1CCS(=O)(=O)C1 1286394874 XKBAGUHHLPCENX-MOPGFXCFSA-N 464.538 2.114 30 10 JEEE C#CCN(c1nnc(CC)n1Cc1ccccc1OCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1286395205 RKOIUTDYSNGUBS-INIZCTEOSA-N 456.490 2.457 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2CCS(=O)(=O)Cc2ccccc2)CC1 1286485882 BOOCLLCOBBDBOQ-IBGZPJMESA-N 471.627 2.372 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@](C)(O)c2ccc(F)cc2)CC1 1286492202 DRBSSGXPRKKKPP-CLOONOSVSA-N 469.561 2.185 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cc(F)cc(F)c2)CC1 1286509223 ODBFYYSGVPIEOL-MRXNPFEDSA-N 481.594 2.151 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1286568735 XYWPQGMJEGLDCO-UEXGIBASSA-N 457.579 2.193 30 10 JEEE C=CC1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)CC1 1286665031 PGHZAARWKZINOQ-LJQANCHMSA-N 454.550 2.286 30 10 JEEE C=CC[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOC)CC1)c1ccccc1 1286679350 NYPBQABRZSJUPG-FCHUYYIVSA-N 473.643 2.309 30 10 JEEE Cc1ccc(Cn2c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CCO[C@H](C#N)C2)c(=O)n1C 1289678388 BCYIPOHQPIYUAR-AZUAARDMSA-N 497.600 2.177 30 10 JEEE NS(=O)(=O)c1ccc(NCC(=O)N2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c(F)c1 1291911110 DGKAYRPSMVGULB-DTORHVGOSA-N 451.364 2.474 30 10 JEEE CC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C[C@H]2CCCO2)CC1)OC 1292250436 BIMIONUOJKLKCA-IFMALSPDSA-N 454.575 2.455 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2c(c1)[C@H](C)[C@H](C)O2 1300307517 GAQPOJBQVDGBEM-DLRJPAPCSA-N 473.599 2.002 30 10 JEEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1300380767 HWMYVWNQOJHDNM-GOSISDBHSA-N 463.991 2.288 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CCc1cc(C)ccc1OC)[C@H]1CCS(=O)(=O)C1 1300497403 BBQDTVMDHTVJJV-QFIPXVFZSA-N 479.606 2.450 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@]1(N(C)C)CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1300498084 GOCCZMHOADIJKI-LFAGZIFBSA-N 484.670 2.401 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@](C)(O)c1cccs1 1300528576 ZWRWIAMNJOQYQB-XMMPIXPASA-N 458.547 2.234 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCOC(C)C)CC1 1300712446 SNOYOXUHGVEFMS-UHFFFAOYSA-N 487.004 2.252 30 10 JEEE C=C(Cl)Cn1c(N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1301061338 SLZDZACPNKFTPA-HYBUGGRVSA-N 489.020 2.420 30 10 JEEE C=CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1301196363 APLPBQMTSDLZSE-SJLPKXTDSA-N 461.950 2.188 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Br)cc2)nnc1N1CCC(CC(N)=O)CC1 1301576725 ZFKKORWKPSNLFY-UHFFFAOYSA-N 496.431 2.400 30 10 JEEE CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C)(c2nc(C)no2)CC1 1313557472 HJSCKYHMOREHTA-UHFFFAOYSA-N 478.557 2.457 30 10 JEEE CCS(=O)(=O)N(C)CCCn1c(-c2cc3ccccc3o2)nnc1N1CCO[C@@H](C#N)C1 1314540951 FGRHYCMDWXCEKZ-KRWDZBQOSA-N 458.544 2.092 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@@]1(O)CCS(=O)(=O)C1 1358875443 PXLUBNKZJVAGLM-NYHFZMIOSA-N 471.608 2.385 30 10 JEEE C#CCN(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@H]1CC(=O)N(CCOC)C1 1358941431 JYHVTXWKIZBOKA-AWEZNQCLSA-N 464.339 2.411 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1C[C@@]1(OC)CCOC1)[C@@H]1CCS(=O)(=O)C1 1358958641 SNVFBZOQWFGPNZ-IERDGZPVSA-N 482.965 2.170 30 10 JEEE C#CCN(c1nnc(CC)n1C[C@H]1CC2(CC2)CN1C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1358963791 OEKQBCRCVJZDKU-QZTJIDSGSA-N 477.631 2.257 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1Cc1cccn(CC)c1=O)[C@H]1CCS(=O)(=O)C1 1358965730 AEJMKMYRLAIUDN-NRFANRHFSA-N 495.605 2.022 30 10 JEEE C#CCN(CCOC)c1nnc(Cc2ccc(F)cc2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1359025754 XXIHOBSJQBSSDF-IFMALSPDSA-N 489.617 2.298 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCCSC2)CC1 1359040429 USYRRKYSJYNNQH-QGZVFWFLSA-N 467.599 2.034 30 10 JEEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1ccc(F)cc1)C1CC1 1359057377 YHRYGJJPEXUZFS-FQEVSTJZSA-N 493.630 2.286 30 10 JEEE C=CCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1359223317 HYGFMEIWMUYJDF-FQEVSTJZSA-N 496.655 2.345 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N(C)C[C@@H]1CN(CC)c2ccccc2O1 1359299882 OZXOTFBACOKQAA-RBUKOAKNSA-N 454.575 2.198 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN(C)Cc2ccccc2)C1 1359321878 MYWXUJVPCKOILC-LEWJYISDSA-N 459.616 2.094 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1359328737 MUVFLZXEOCEOEP-SFHVURJKSA-N 461.588 2.190 30 10 JEEE C=CCSCCn1c([C@H]2CCCOC2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1359343041 KZAYSRURSCFQML-KRWDZBQOSA-N 457.666 2.342 30 10 JEEE N#CCCN(C(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc2c(c1)OCCO2 1443249895 DYKYBAFAOJUMBZ-UHFFFAOYSA-N 457.508 2.039 30 10 JEEE CC#CC[C@@H](CO)NC(=O)c1ccc(OC)c(S(=O)(=O)NCc2ccc(Cl)cc2)c1 1452856746 GKQKHORYIUPLQU-SFHVURJKSA-N 450.944 2.331 30 10 JEEE N#Cc1c(Br)cccc1OCC(=O)N[C@@H]1CC(=O)N(CCOc2ccccc2)C1 1456798162 AFPNOOZSDBCDJA-OAHLLOKOSA-N 458.312 2.496 30 10 JEEE COC1CCN(C(C)(C)Cn2c(-c3cccc(C#N)c3)nnc2N2CC(=O)N(C)C[C@@H]2C)CC1 1504491954 CDEQILIFVOPWGC-SFHVURJKSA-N 465.602 2.373 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H](C(C)C)N1CCOCC1 1507531495 ASTRJYRYVUKHGZ-SIKLNZKXSA-N 477.613 2.490 30 10 JEEE C#CCN(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@]1(O)CCS(=O)(=O)C1 1507608202 GOQWZTYBFKVAJH-OAQYLSRUSA-N 460.556 2.432 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CCN1CCCC(C)(C)C1)[C@H]1CCS(=O)(=O)C1 1507633362 CYGQRGXUXMKLNV-NRFANRHFSA-N 470.643 2.013 30 10 JEEE C#CCN(c1nnc(COCC)n1CCCn1c(C)nc2ccccc21)[C@H]1CCS(=O)(=O)C1 1507636557 AJXNCCXCQUBXAX-IBGZPJMESA-N 470.599 2.190 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2Cc2ccc(OC)nc2OC)CC1 1507724101 GRPZOSIPEKGAAC-UHFFFAOYSA-N 450.518 2.224 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCNC(=O)[C@@H](C)CCC)CC1 1507737968 DXZAXHJLGRAOPU-AZUAARDMSA-N 458.607 2.038 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccccc2COC)CC1 1507741437 SRYHEIYTNBSDFK-GOTSBHOMSA-N 481.597 2.163 30 10 JEEE C=CCCCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1507933590 PKXKHQMFIIDLHB-UHFFFAOYSA-N 470.593 2.345 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCCN(C(=O)CC2CCCC2)CC1 1508090447 NNKZDUMDZFSSFQ-FQEVSTJZSA-N 458.607 2.441 30 10 JEEE CC(=O)Nc1ccc(CCn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@@H](C#N)C2)cc1 1508279341 GLQUMXSHDDONAH-IBGZPJMESA-N 479.566 2.199 30 10 JEEE C#C[C@@H](NC(=O)c1ccccc1S(=O)(=O)CCS(C)(=O)=O)c1ccc(Cl)cc1F 1528531750 MLLKMHOPRCWHMK-QGZVFWFLSA-N 457.932 2.402 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC1(O)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1539203251 OOZIPGGBLFLXMA-OAQYLSRUSA-N 499.637 2.469 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC(C)(C)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1539215868 KQLBYORCSHWWMR-INIZCTEOSA-N 476.603 2.203 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CCCS(=O)(=O)C1 1539301111 LAFQQSWJBCHNNM-INIZCTEOSA-N 478.416 2.334 30 10 JEEE C#CCN(CC#CC)c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1539332419 QKNLJSCEYSAJTB-PZJWPPBQSA-N 486.667 2.301 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)ccc3C)n2CCc2cn[nH]c2)CC1 1539489911 ZVQOSBKPVJOGOO-UHFFFAOYSA-N 461.570 2.406 30 10 JEEE C=CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCC(NS(C)(=O)=O)CC1)c1ccccc1 1539931540 LXLJEPVCIPJBPJ-LJQANCHMSA-N 474.631 2.294 30 10 JEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)c2cc(OC)cc(OC)c2)CC1 1540803612 OTJALQRXMFJGKE-HXUWFJFHSA-N 459.543 2.295 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC1CCCCC1 1541675167 AWWUKFPXVDOHJO-QGZVFWFLSA-N 451.579 2.373 30 10 JEEE CNC(=O)N1CCC2(CC1)CN(c1ccc(C#N)c(C(F)(F)F)c1)C[C@@H]2C(=O)NCCOC 1548379648 WVWURTFMOMYQNK-GOSISDBHSA-N 467.492 2.197 30 10 JEEE COC[C@@H](Cn1c(CC2CCCC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C)OC 1555257880 IBGFNFHJNNZVJL-IEBWSBKVSA-N 454.579 2.049 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1ccco1)Cc1ccco1 1587861015 FNFGOKGJIPPNSF-FQEVSTJZSA-N 473.555 2.417 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1CCN(C(C)C)C(C)C)[C@H]1CCS(=O)(=O)C1 1588045786 QNPWWCOUDWLKNX-FQEVSTJZSA-N 487.626 2.419 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@@H]1CN(CC(C)C)CCO1)[C@H]1CCS(=O)(=O)C1 1588058753 BTGIAAKQPCMILQ-ZEQRLZLVSA-N 499.681 2.161 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1CC[C@]2(CCOC2)O1 1588574314 DESQYBSROFKSLM-HYBUGGRVSA-N 487.988 2.286 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCc2ccccc2OCC)CC1 1588751799 NGCPPRWYSQFKLH-VWLOTQADSA-N 453.587 2.327 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCN2C[C@@H](C)O[C@H](C)C2)CC1 1588769108 OVMZSPSIPZEPJP-WOJBJXKFSA-N 467.574 2.108 30 10 JEEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1589053120 HRIAXPLTGATLAV-HXUWFJFHSA-N 467.643 2.148 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1595109401 YRUHOMKPQJQRJF-ZEQRLZLVSA-N 490.626 2.061 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1595699648 GHWYPQLNMMOLHB-FXAWDEMLSA-N 461.588 2.017 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCN(C(C)C)C2)C1 1595722992 PQGLIOQINUJFRD-VAMGGRTRSA-N 451.637 2.082 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC(=O)N(C)C[C@@H]1C 1595760742 RVIDLHCNNLMKSR-HOTGVXAUSA-N 482.006 2.339 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(OC)cc2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1595822014 FWSRKPPWFDEMPT-VSOVRNOCSA-N 476.599 2.064 30 10 JEEE C=CCSCCn1c(-c2ccccn2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1595866328 GPQXSOPQMPSIFT-UHFFFAOYSA-N 468.587 2.316 30 10 JEEE CC[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](C#N)C1)NC(=O)OC(C)(C)C 1613654391 HUBZFLDFMKKBAF-MSOLQXFVSA-N 458.567 2.172 30 10 JEEE CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2N(C)CCCC2(C)C)CC1=O 1618487770 FJDMFOUSQUQXTF-FQEVSTJZSA-N 451.575 2.128 30 10 JEEE C=C(CCN(C)C)C(=O)N1CCCN(S(=O)(=O)c2ccc(Br)s2)CC1 1636900681 PACCINIVRBGLRD-UHFFFAOYSA-N 450.424 2.242 30 10 JEEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C(F)(F)F)cc1 1639254501 SNGJJHLCXZTQLU-AWEZNQCLSA-N 451.467 2.336 30 10 JEEE C#C[C@H](NS(=O)(=O)c1cc(C(=O)C(=O)OCC)n(C)c1)c1ccc(Br)cc1 1655458717 FNUBNOQXUHFCQT-HNNXBMFYSA-N 453.314 2.186 30 10 JEEE C#CCN([C@H]1CCOc2ccc(Br)cc21)S(=O)(=O)c1cc(C(=O)OC)[nH]n1 1661573609 BVDXKZWKHIKMRD-AWEZNQCLSA-N 454.302 2.107 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(SCC)c1 1689853360 ROZFZLJPBMPNFB-VQIMIIECSA-N 463.629 2.229 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C 1689853472 UGHKMKKIQGEXGQ-NCXUSEDFSA-N 481.663 2.299 30 10 JEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1nccc(C(F)F)n1 1689948849 IAFXQXRICPGIIS-UHFFFAOYSA-N 460.514 2.392 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1CCCS(=O)(=O)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1689980617 VHYFETZZMJNCPZ-HXUWFJFHSA-N 492.667 2.207 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1CCCNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1689992459 LAUUSNQGJPDBLC-KRWDZBQOSA-N 453.609 2.018 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@H](C1CC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1689993605 HXSWMCYAUKMFAD-FCHUYYIVSA-N 455.628 2.030 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnccn2)n1CCS(=O)(=O)CC1CC1 1690089561 FRBSXQMMXDVQNL-UHFFFAOYSA-N 454.531 2.339 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H]2CCO[C@@H]2C(=C)C)CC1 1690137108 NUFOOMOSWNEZOW-PZJWPPBQSA-N 470.618 2.144 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2Cc2cnn(CC)c2)CC1 1690140101 LRMNERJLQIZEMX-UHFFFAOYSA-N 477.569 2.193 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2CCCCS2)CC1 1690154776 ZEVYFMLPODFEOT-ZCNNSNEGSA-N 461.632 2.254 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)OCCOC)n1C[C@H](N1CCOCC1)C(F)(F)F 1690192707 CSNBDIXKVXWQLF-FUHIMQAGSA-N 459.513 2.257 30 10 JEEE C=C(Br)Cn1c(-c2cccn2C)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1690225867 ONZFISZDWZACJZ-OAHLLOKOSA-N 472.409 2.222 30 10 JEEE C=C(Br)Cn1c(N2CCO[C@H](c3nnc(C)o3)C2)nnc1[C@@]1(OCC)CCOC1 1690234533 HNJBADLQEHGKRJ-KBXCAEBGSA-N 469.340 2.108 30 10 JEEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1690234778 NIOHJURWLRVBMH-IVSAIRAKSA-N 454.369 2.158 30 10 JEEE C=C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@H]2CCCCS2(=O)=O)CC1 1690367213 GLHWLGACTJXJCV-HXUWFJFHSA-N 493.655 2.319 30 10 JEEE C=CCNC(=O)Cn1c(N2C[C@@H](OC)C(C)(C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1690677427 WSHHZNYOQKNPTR-IXDOHACOSA-N 462.595 2.212 30 10 JEEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2ccc(Cl)nc2C1 1690734150 WWBJPMYWCMIPJM-ZDUSSCGKSA-N 457.025 2.419 30 10 JEEE C#CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@]2(CCC(=O)N2)C1 1705516478 CGXDGQANXBDLQU-MHECFPHRSA-N 472.590 2.249 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H](C)c1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1705565860 XEMWINBZYLNGPA-DNVCBOLYSA-N 454.556 2.375 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H](C)N(C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1705567410 XUJCOGQOLBIXCX-AZUAARDMSA-N 452.584 2.425 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1nc2cc(OC)ccc2n1C 1705589845 YBTJMOYFNWDBQO-UHFFFAOYSA-N 468.521 2.332 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2C[C@]2(C)CCCO2)CC1 1705650449 RSZFBRGIGFHAOV-VWLOTQADSA-N 451.571 2.412 30 10 JEEE C=C(Br)Cn1c(Cc2ccccc2OC)nnc1N1CCc2nn(C)c(=O)cc2C1 1705687535 FJBCAEIHABHMFQ-UHFFFAOYSA-N 471.359 2.443 30 10 JEEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1Cc1cccs1 1705737274 NIHBEMZHWRDMGE-UYAOXDASSA-N 495.671 2.477 30 10 JEEE C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](c2cnn(C)c2)C1)c1ccccc1 1705741136 HBQOYYCFWHOUCX-HKUYNNGSSA-N 455.588 2.329 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1([S@](C)=O)CC1 1705864726 KRNTZFAHHLUBNI-ZOKDDAQRSA-N 466.604 2.423 30 10 JEEE C=CCn1c(-c2ccc(Br)cc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1705888230 LYWZXMWHLCLDPO-UHFFFAOYSA-N 461.364 2.468 30 10 JEEE C=CCSCCn1c(COc2ccccc2OC)nnc1N1CCc2nn(C)c(=O)cc2C1 1705948910 ILXUQDDXAVNKOH-UHFFFAOYSA-N 468.583 2.441 30 10 JEEE CCS(=O)(=O)N(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(COC)CC1 1710884683 HADJWYCRHCFEMJ-UHFFFAOYSA-N 460.604 2.351 30 10 JEEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ncnn2C(C)(C)C)C[C@@H]1C 1712485532 BQVCLCQYZCRJFR-SFHVURJKSA-N 463.590 2.368 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCc1c[nH]c2cc(C)ccc12)[C@@H]1CCS(=O)(=O)C1 1722358026 CKJPYVMVPIATNW-LJQANCHMSA-N 482.610 2.075 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCC1(COC)CCC1)[C@H]1CCS(=O)(=O)C1 1722366646 ISHMMGJMLFVTNJ-RBUKOAKNSA-N 450.605 2.353 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1Cc1ccc(N2CCC(C)CC2)nc1 1722419184 RBSDTDVRJCGTPE-UHFFFAOYSA-N 453.591 2.182 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2CCCN2CCCO[C@H](C)C2)CC1 1722441954 OUZYLXCRZRPCKB-HSZRJFAPSA-N 466.630 2.422 30 10 JEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](c2cccc(OC)c2)C1 1722453470 UFUGIJFDJDUTSC-FQEVSTJZSA-N 455.584 2.467 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(OC)c1OC 1722518273 YDLXZOBQKMCVKB-LJQANCHMSA-N 479.603 2.079 30 10 JEEE C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N1CCN(Cc2nc(COC)no2)CC1 1722518750 KIZLKSCGHPHQFT-UHFFFAOYSA-N 491.394 2.474 30 10 JEEE C=CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)NCC)CC1 1722616441 UFTIDNRKTBMRSI-GOSISDBHSA-N 477.610 2.404 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)N(C)C 1722682043 WQQTVQRMBWSYAK-MSOLQXFVSA-N 452.600 2.175 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@H](CCOC)C1 1722727907 PKZANAYZOCXGDR-MRXNPFEDSA-N 472.571 2.058 30 10 JEEE CC(=O)N1CCC[C@H](Cn2c(N3CCN(c4c(C#N)c(C)nn4C)CC3)nnc2C(C)(C)C)C1 1722766318 AZAXIQUDYCHQOE-IBGZPJMESA-N 467.622 2.074 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1Cc1nccn1C(F)F 1723611875 FOZNDCKGJHBLGI-UHFFFAOYSA-N 487.490 2.394 30 10 JEEE CCOc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1CC1(O)CCN(C(C)C)CC1 1728903078 AHHMHPWPYNAGHQ-FQEVSTJZSA-N 484.601 2.220 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3csc(N4CCOCC4)n3)n2C[C@@H](C)OC)c1 1740562990 PJXTYOZXMUXGDH-QGZVFWFLSA-N 495.609 2.329 30 10 JEEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1740581966 IENRNEGXOBTOJH-HSZRJFAPSA-N 474.583 2.399 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCCCOC)[C@@H]1CCS(=O)(=O)C1 1740615437 DQXYMCHXFWCXEF-HXUWFJFHSA-N 473.599 2.201 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC1(c2ccccc2OC)CCC1)[C@@H]1CCS(=O)(=O)C1 1740615522 GJIKKGBCFNFANO-LJQANCHMSA-N 499.637 2.174 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCOC[C@H]1OC 1740657081 OQVJFWCZEVGRBP-QHAWAJNXSA-N 487.601 2.101 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCc2ccsc2)CC1 1740697839 MYPOXHSVJRNKFV-UHFFFAOYSA-N 455.609 2.408 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCO[C@H](C)C2)CC1 1740708154 DWTQIJSHMNZYMY-QZTJIDSGSA-N 484.626 2.051 30 10 JEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 1740716671 WQENVSDQQNTALU-MSOLQXFVSA-N 467.599 2.154 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cnn(C)c2)n1CCNS(=O)(=O)c1ccc(C)s1 1740729066 YLIACYMCVVOSPF-HXUWFJFHSA-N 459.601 2.019 30 10 JEEE C=C(Br)Cn1c(N2CC[C@@H](N3CCCC3=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1740749594 ZURRDGVEYOGSKW-UZLBHIALSA-N 468.396 2.428 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2noc3c2COCC3)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1740756060 FJJDFCXJSWNWCY-ASKKUZCQSA-N 479.603 2.245 30 10 JEEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1740794124 QBZHQTMHAKBVTB-UHFFFAOYSA-N 461.570 2.282 30 10 JEEE C=CCCCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1740878236 JBDOQCQGYLRJFB-UHFFFAOYSA-N 450.591 2.129 30 10 JEEE C=CCNC(=O)Cn1c(N2CCN(c3cc(C)ccc3C)CC2)nnc1[C@@]1(OCC)CCOC1 1740964612 FTFPMDHOYRAWMG-RUZDIDTESA-N 468.602 2.176 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCO[C@H](COc2ccccc2)C1 1740989215 FISJLGJGFURWNC-FQEVSTJZSA-N 469.567 2.225 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1740995102 ZZJJQIPCHDAFTE-CQSZACIVSA-N 492.593 2.307 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cc(F)ccc1N1CCOCC1 1748641352 FUNAMVCJZMMVST-HOYKHHGWSA-N 457.550 2.412 30 10 JEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1c1ccc2c(c1)OCCO2 1748732359 YTDDTUJSXZXOMA-SJLPKXTDSA-N 459.572 2.414 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@H](C)N(C)C2CC2)CC1 1748979067 UOUHXKIJYKFCPT-SFHVURJKSA-N 468.602 2.209 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC2(N(C)C)CCC2)CC1 1749003525 MJZLFUGTYKQKSQ-UHFFFAOYSA-N 488.434 2.486 30 10 JEEE C#CCSCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[C@@H](NC(C)=O)C1 1749024393 PDASPNMEIIWIPP-GOSISDBHSA-N 473.599 2.442 30 10 JEEE C=CCCCn1c(N2CCC([C@@H]3NC(=O)N(C)C3=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1749440348 YLHWSRDFXCGYRR-MBSDFSHPSA-N 460.579 2.052 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1CC1(OCCOC)CCOCC1 1760116832 KMHJYAUTZTXFGF-RXVVDRJESA-N 456.543 2.461 30 10 JEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CCC(C)CC2)CC1 1760136655 AYSZWXHTXSMXLV-HRTMPFAESA-N 492.690 2.115 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@](C)(OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1760180197 AATYSTYPRAGFMZ-YADARESESA-N 488.610 2.404 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Br)n1CC[S@](=O)CC)[C@H]1CCS(=O)(=O)C1 1760185496 YDFXQRSBJADFHX-OHZJNBGDSA-N 499.456 2.103 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1CCC(=O)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 1760191975 OSDGJWUKUYQHPC-QFIPXVFZSA-N 483.638 2.093 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@](C)(O)c1ccco1 1760203342 AXXZZHQWFILTPE-UUOWRZLLSA-N 469.542 2.160 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1ccc(C(N)=O)cc1 1760211211 DIRVAIOPIBMKCQ-UHFFFAOYSA-N 489.605 2.157 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(F)cc2Br)n1CCCn1cc(CO)nn1 1760214864 FDPUMSALRGSHEI-UHFFFAOYSA-N 486.349 2.484 30 10 JEEE C=C(C)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1760348157 WBPPGDHHOYKWNA-UHFFFAOYSA-N 451.506 2.393 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CC[C@H](C(=O)N(C)c2ccccc2)C1 1760524961 OZVGZPITBRNSCX-IBGZPJMESA-N 459.554 2.055 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC[C@@H](Oc2ncccc2F)C1 1760525534 JAWSTNPPPVLIGT-GOSISDBHSA-N 451.506 2.148 30 10 JEEE COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC[C@@H]2CCCCO2)CC1 1769135970 GXIGWIIGKRLKAP-NRFANRHFSA-N 452.559 2.461 30 10 JEEE N#Cc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)c([N+](=O)[O-])c1 1866006911 FDOOWVXPZPXRRH-UHFFFAOYSA-N 450.860 2.393 30 10 JEEE CCN1CCN(C(=O)[C@@H](CCSC)NC(=O)C2CCN([C@H](C#N)c3cccs3)CC2)CC1 1868782301 GMPWHJWNWLEVDE-WOJBJXKFSA-N 477.700 2.427 30 10 JEEE N#Cc1nnn(Cc2cc([N+](=O)[O-])cc3c2OCOC3)c1NC(=O)C1(c2ccc3c(c2)OCO3)CC1 1870111144 AJYQGRGQDXQSAT-UHFFFAOYSA-N 490.432 2.372 30 10 JEEE CN1C(=O)c2ccc(-n3nnc(C#N)c3NC(=O)c3cccc(Br)c3)cc2C1=O 1870140449 RXQHLJLRESGOSW-UHFFFAOYSA-N 451.240 2.380 30 10 JEEE C=CCN1C[C@@H](C(=O)N2CCC(C(=O)NC3CCN(Cc4ccccc4)CC3)CC2)CC1=O 1872917645 HVGBVZYRDWDSKV-QFIPXVFZSA-N 452.599 2.040 30 10 JEEE COc1cc2c(/C=N/n3cnnc3SCC(=O)NCc3ccco3)c(C(=O)O)n(C)c2cc1OC 1873504943 SZYHAEGANMKNFV-KIBLKLHPSA-N 498.521 2.369 30 10 JEEE C=CCn1c(C(=O)N2CCN(c3ccccn3)CC2)cc2c(N3CCN(CC)CC3)ncnc21 1873561937 GKUSBMRPSWOIKP-UHFFFAOYSA-N 460.586 2.117 30 10 JEEE COc1ccc(Cc2nnc(SCC(N)=O)n2/N=C/c2ccc3c(c2)OCCO3)cc1OC 1874237667 FJDYUGQSWAYYIB-WYMPLXKRSA-N 469.523 2.117 30 10 JEEE CC(=O)NCc1nnc(SCC(=O)NCc2ccccc2)n1/N=C/c1ccc(N(C)C)cc1 1874435900 CUVGJVMHEKGWHO-VULFUBBASA-N 465.583 2.271 30 10 JEEE Cc1nnc(SCC(=O)NCc2ccco2)n1/N=C/c1cc2c(cc1[N+](=O)[O-])OCCO2 1874532018 NDMJJOCRRSMDHM-ZVBGSRNCSA-N 458.456 2.150 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1)[C@@H](O)C(C)(C)C 2192859965 MQLLESVNODXPSE-HUUCEWRRSA-N 464.372 2.015 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H]1CNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2247904443 OHRMQYLTLKUFSP-ZDUSSCGKSA-N 458.411 2.335 30 10 JEEE C[C@H](CNC(=O)OC(C)(C)C)N(C)C(=O)c1nn(C)c(Cl)c1B1OC(C)(C)C(C)(C)O1 2255650208 OGNWNSOOHOEBTL-GFCCVEGCSA-N 456.780 2.358 30 10 JEEE Cc1cc(S(=O)(=O)N[C@H]2C[C@H]2NC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2255747876 SMAUXVFWGMBEOJ-SJORKVTESA-N 452.382 2.238 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CC[S@](=O)(=NC(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)C1 2255847645 RAXZYKLIMJUKHR-CQMWEUJXSA-N 454.354 2.484 30 10 JEEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)[C@H]2C[C@@H]21 2255947896 FQIFEGZBPRHTRP-GJZGRUSLSA-N 470.422 2.430 30 10 JEEE C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1sccc1B1OC(C)(C)C(C)(C)O1 2256618075 OCYILFOSFSSXNN-BBRMVZONSA-N 454.398 2.280 30 10 JEEE Cc1csc(CNC(=O)[C@H](O)[C@H](C)NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2256624626 OFXJYFUJWWOFKK-XJKSGUPXSA-N 454.398 2.246 30 10 JEEE CC(C)[C@@H]1C[C@@]1(NC(=O)OC(C)(C)C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2256668487 AZQGHBSGKJXNFP-YUNKPMOVSA-N 452.386 2.137 30 10 JEEE C=C(CS(=O)(=O)N1CC(COCc2ccccc2)(C(=O)O)C1)B1OC(C)(C)C(C)(C)O1 2256902379 UNDYOZMAECDJCB-UHFFFAOYSA-N 451.350 2.107 30 10 JEEE Cc1cc(C(=O)N[C@@H](C)C2(O)CN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2267157627 ZHESDYOJXFUWCB-AWEZNQCLSA-N 466.409 2.456 30 10 JEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1nn(C)c(Cl)c1B1OC(C)(C)C(C)(C)O1 2267179479 QPEPKWNFZMHHPR-STQMWFEESA-N 468.791 2.358 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCC[C@H]1NS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2267376680 ZVKPLNNJEXYHOC-DLBZAZTESA-N 467.397 2.105 30 10 JEEE Cc1cc(C(=O)N2C[C@@H](O)C[C@@H]2CNC(=O)OC(C)(C)C)sc1B1OC(C)(C)C(C)(C)O1 2267605597 WGNJZXXIOHNZQQ-CABCVRRESA-N 466.409 2.456 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2268651019 MWPRLNRWPICLTQ-IHRRRGAJSA-N 464.397 2.233 30 10 JEEE CC(C)(C)OC(=O)N1CC2(COC[C@@H](CNc3cccc(B4OC(C)(C)C(C)(C)O4)n3)O2)C1 2281495125 WKTJKPRBJYRCDW-MRXNPFEDSA-N 461.368 2.198 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2F)CCO1 2281782756 AQGPEHQMTQSWTE-MRXNPFEDSA-N 464.343 2.491 30 10 JEEE Cc1c(C(=O)N[C@@H]2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281804358 KWBOGWXZXRAEMO-OWCLPIDISA-N 460.384 2.013 30 10 JEEE CN(C[C@@H]1CCCN(C(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)C1)C(=O)OC(C)(C)C 2281826155 DUQJCAUYBXOZEH-INIZCTEOSA-N 462.400 2.438 30 10 JEEE Cn1nc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C2CC2)cc1B1OC(C)(C)C(C)(C)O1 2281961180 JVKFGZPZKMIQDB-QAPCUYQASA-N 460.384 2.237 30 10 JEEE CCc1nc(C(=O)NCCN(C[C@H](C)O)C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2282131552 VLZHFZQARPWSBT-AWEZNQCLSA-N 483.440 2.352 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2cccc(F)c2B2OC(C)(C)C(C)(C)O2)[C@@H](O)C1 2282412824 VNPNXJSJHNOEFN-IRXDYDNUSA-N 464.343 2.225 30 10 JEEE Cc1nc(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)s1 2282514980 LGHAWDJDTMPRNB-ALLJEULLSA-N 479.408 2.305 30 10 JEEE C[C@H]1CC[C@@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282535115 ZVARWTVEHYLJOG-HOTGVXAUSA-N 462.400 2.485 30 10 JEEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1N(C)C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2282587371 LQELLTQJBBDGJN-NVXWUHKLSA-N 462.400 2.437 30 10 JEEE C[C@H]1CCC[C@H](CNC(=O)OC(C)(C)C)N1C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2282616770 BIUPQBQADODDLE-LSDHHAIUSA-N 463.388 2.022 30 10 JEEE CN(C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2282629721 ZHIFLDDVUMWCRM-MRXNPFEDSA-N 462.400 2.438 30 10 JEEE Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 2282683542 FFKPXRPJLPIRNC-XMMPIXPASA-N 460.380 2.396 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCC1(NC(=O)OC(C)(C)C)CC1 2282872049 PLQCEJCLIVWRFC-UHFFFAOYSA-N 482.408 2.330 30 10 JEEE C=CCN(CC(=C)B1OC(C)(C)C(C)(C)O1)C(=O)[C@@H](NC(=O)OC(C)(C)C)C1CS(=O)(=O)C1 2284125694 NSNJIUIWVNMEAF-KRWDZBQOSA-N 484.424 2.127 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](C(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)OCC12CC2 2284148623 SUFRVHZIXDIAIZ-MRXNPFEDSA-N 459.352 2.488 30 10 JEEE COC(=O)c1[nH]c2ccc(F)cc2c1C=Nn1c(SCC(=O)NC2CCCC2)nnc(C)c1=O 2321655164 JSRTWCLOEMTPGD-UHFFFAOYSA-N 486.529 2.387 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C12CCC2 2362460454 FFCKLPBEYOQUOJ-LSDHHAIUSA-N 460.384 2.285 30 10 JEEE COc1ccc(NC(=O)[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2365287004 SKGDFIAGMFSITD-HSZRJFAPSA-N 462.352 2.305 30 10 JEEE O=C(c1ccc(/N=C2\N[C@@H]3CS(=O)(=O)C[C@H]3S2)cc1)N1CCN(c2ccccc2)CC1 2686733 NOAGRCLNIVSRSG-WOJBJXKFSA-N 456.593 2.139 30 10 JEEE COC(=O)c1ccc(NC(=S)/N=C(\NCCCN2CCOCC2)Nc2nc(C)cc(C)n2)cc1 14158351 YRYLKCMHJLGPBB-UHFFFAOYSA-N 485.614 2.357 30 10 JEEE Cc1cc(C)nc(N/C(=N/C(=S)NC2CCCC2)N2CCC(C(N)=O)(N3CCCCC3)CC2)n1 14161178 ZDJGEIVPYXLQAT-UHFFFAOYSA-N 486.690 2.484 30 10 JEEE C/C(=N\Nc1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)n1N)c1ccc2c(c1)OCO2 21318395 FTQDNCMQLQRRLA-SSDVNMTOSA-N 470.471 2.196 30 10 JEEE C=CCn1c(=O)c(=O)n(CC(=O)NCCN2CCC(Cc3ccccc3)CC2)c2ccccc21 33268754 KBDMWKRWJIKBQM-UHFFFAOYSA-N 460.578 2.420 30 10 JEEE Cc1ccc(-n2c(=C(C#N)C(N)=O)sc(=Cc3ccccc3Br)c2=O)c(C)c1 254766337 YMBPWRHUQZCSPL-UHFFFAOYSA-N 454.349 2.267 30 10 JEEE CC#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1NC(=O)C[C@@H]1C(=O)O 757206000 CLRREPHXOMJIPM-LEWJYISDSA-N 461.474 2.024 30 10 JEEE COC(=O)[C@H](c1cc(OC)ccc1Br)N(C)CC(=O)N(CCC#N)CCC#N 1194533584 FBQWZFMYHUKHNI-SFHVURJKSA-N 451.321 2.260 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC(=O)N1CCN(c2ccccc2)CC1 1286276515 RPLBMUDDGAUMQS-LVXARBLLSA-N 480.613 2.125 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2CCS(=O)(=O)C(C)(C)C)c1 1286311590 NZEPWGWNMWOMMD-SFHVURJKSA-N 473.599 2.052 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1CCOc1ccc(Cl)cn1)[C@H]1CCS(=O)(=O)C1 1286387071 NPDYPQINVUAOKI-KRWDZBQOSA-N 474.974 2.038 30 10 JEEE C#CCN(c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 1286388690 UNGLVYWPVUHUNI-OALUTQOASA-N 474.583 2.158 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2Cc2ccc(NC(=O)N(C)C)cc2)CC1 1286478516 BFCPUNZRPVVKQG-OAQYLSRUSA-N 451.575 2.417 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCN(C(C)C)C(C)C)CC1 1286492424 KYWSTENWTVILCQ-UHFFFAOYSA-N 468.650 2.224 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@H](NC(=O)CC)C1 1286587951 VUDZTIQLWVMQAW-SFHVURJKSA-N 460.604 2.267 30 10 JEEE C=CCCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1286702345 LGTGRPPTPFAYNU-UHFFFAOYSA-N 472.540 2.384 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccn(C)n1 1286741026 ASFYCPQYHWTRJP-IBGZPJMESA-N 451.556 2.026 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1286778524 BSYNAMNZSPJFPP-OXQOHEQNSA-N 469.521 2.171 30 10 JEEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1286825868 YNEVDULWNDPITN-UHFFFAOYSA-N 472.575 2.063 30 10 JEEE CS(=O)(=O)Nc1cc(C(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc(C(F)(F)F)c1 1291970290 DIABMCCOGMHLPL-UHFFFAOYSA-N 453.446 2.306 30 10 JEEE CCc1nc(CN(C)c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)cs1 1292726150 BORAABLVVRHHCI-NRFANRHFSA-N 472.596 2.022 30 10 JEEE CCC[C@](C)(O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1293816839 FIPIMUGJNAXTLP-MBSDFSHPSA-N 455.538 2.118 30 10 JEEE CCN(CCCn1c(-c2ccc[nH]2)nnc1N1CCN(c2ccccc2C#N)CC1)S(C)(=O)=O 1295809980 HSQXNDVUSKVECL-UHFFFAOYSA-N 482.614 2.143 30 10 JEEE CCC[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 1296471337 BZGLIPBOTGNLPQ-HXUWFJFHSA-N 455.538 2.056 30 10 JEEE CNC(=O)C(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](COC(C)C)C1 1298948213 HUEHBCOCXPPLGT-FQEVSTJZSA-N 470.574 2.131 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(=O)N[C@H](C)CC)c1 1300307096 BNIHYBQSLMJFOX-UWVAXJGDSA-N 457.600 2.215 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@H]1CN(CC(C)C)CCO1 1300317243 MWUUZWHRMZOHHB-RSXGOPAZSA-N 493.700 2.458 30 10 JEEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(C)(C)NC(=O)OC(C)(C)C 1300446739 RRMFZQTVGDJOJR-UHFFFAOYSA-N 451.535 2.294 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H](CCC)OC)[C@@H]1CCS(=O)(=O)C1 1300489702 QWYDLKZWVKJDAH-MSOLQXFVSA-N 460.556 2.116 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@H](C)c1ncc(C)s1)[C@H]1CCS(=O)(=O)C1 1300499549 UOXBOWXIVYDNFQ-LPHOPBHVSA-N 470.624 2.459 30 10 JEEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1C[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1300504696 QSXXGJVFTYBFKB-AEFFLSMTSA-N 464.975 2.174 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1=CCCOC1 1300560528 BUNFNQNZINUUPY-UHFFFAOYSA-N 453.568 2.005 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C)CN1CCN(CC)CC1 1300648271 MNLVAGNJVUBWOT-REWPJTCUSA-N 481.620 2.282 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CCOC)CC1 1300897755 UUKILMPECUVFAX-QPPBQGQZSA-N 466.586 2.478 30 10 JEEE C=CCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1301240574 CRDPNWZFSONHCE-YKSBVNFPSA-N 477.613 2.398 30 10 JEEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](c2ccccc2C)C1 1301509686 LXMJZYZHSVQXQQ-LJQANCHMSA-N 480.594 2.458 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](CC)c2ccccc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1301568063 CNRJSAHIEQZTHJ-OALUTQOASA-N 466.629 2.044 30 10 JEEE N#Cc1cccc(-c2nnc(N3CCC(OCC(N)=O)CC3)n2CC2(O)CCCCCC2)c1 1302985747 BBTMKMUZGSFJQQ-UHFFFAOYSA-N 452.559 2.373 30 10 JEEE C#CCN(CCCN1C(=O)CS/C1=C\C(=O)OC)C1CCN(C(=O)OC(C)(C)C)CC1 1308076140 SRPNPNLURCYNFJ-CYVLTUHYSA-N 451.589 2.301 30 10 JEEE C=CCS(=O)(=O)CCNC(=O)NCCN1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O 1312353034 AYABQKSYACFEBV-QINSGFPZSA-N 457.961 2.276 30 10 JEEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1314556848 ARPDHEHAMBAYCY-HXUWFJFHSA-N 468.587 2.103 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](OC)C(C)(C)C)c1 1358902229 HVZZJWYCHNRKNW-UYAOXDASSA-N 487.626 2.298 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCS(=O)(=O)C1 1359014547 MUAUWEGNOQFRPA-SJORKVTESA-N 451.593 2.244 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CCCn2cc(Br)cn2)CC1 1359036872 MJYFUJJTTKSKIP-UHFFFAOYSA-N 469.391 2.068 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCCN2CCOC2=O)CC1 1359042481 IEGVCMDFZGCUHB-UHFFFAOYSA-N 470.961 2.407 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2CC(=O)NC2CCCCC2)CC1 1359046018 ASEDRWNMWBRRMJ-UHFFFAOYSA-N 468.627 2.345 30 10 JEEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1359076158 SWRRDDRZAXPUNI-OAHLLOKOSA-N 451.373 2.375 30 10 JEEE C=CCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1359223318 HYGFMEIWMUYJDF-HXUWFJFHSA-N 496.655 2.345 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCc2cc(OC)c(OC)c(OC)c2CC1 1359302407 GVYSNUWLVZGJLN-UHFFFAOYSA-N 492.580 2.197 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H]2CC(=O)N(CCOC)C2)C1 1359315892 DMPXENVXYFTXKO-SJLPKXTDSA-N 460.966 2.270 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCc2cc(OC)c(OC)cc2C1 1359333782 JPDUOJKAMWFYCZ-UHFFFAOYSA-N 483.594 2.445 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CCc1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 1507623541 UDNUFGIKGKWTMP-NRFANRHFSA-N 471.627 2.374 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1CC1CCN(CC(F)(F)F)CC1)[C@@H]1CCS(=O)(=O)C1 1507632107 WYQUKCJMYDVOBG-LJQANCHMSA-N 496.559 2.241 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccc(Br)cc2)n1C[C@@H](C)N1CCOCC1 1507654251 BXQGUOCRQUGEEU-GOSISDBHSA-N 472.387 2.413 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)(C)C)n2Cc2ccc(N3CCOCC3)nc2)n1 1507714756 VLVKIMDCXXNWRS-UHFFFAOYSA-N 492.628 2.338 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@@H](C(C)C)N2CCCC2)CC1 1507735969 BVEBNFKIIKUNPR-QFIPXVFZSA-N 451.619 2.370 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@](C)(O)[C@H](C)CC)CC1 1507736691 RTXJDTRUXLQIEV-WVQWTBLQSA-N 475.634 2.082 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@H](C)N2CCC[C@@H](C)C2)CC1 1507740641 WDPJWOLNQHDOQH-RTWAWAEBSA-N 463.630 2.350 30 10 JEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](CNC(=O)c2ccccc2)C1 1507752578 BXIICFCIEPKTGE-HXUWFJFHSA-N 480.638 2.413 30 10 JEEE C=C(Br)Cn1c(COc2ccc(OC)cc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1507790370 HKUQVFKJHLNQJO-UHFFFAOYSA-N 487.358 2.431 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1507801307 UBCAFJIXWLYWEU-PXCRPINLSA-N 458.607 2.199 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N(C)Cc1ccc(C(N)=O)cc1 1507806347 MXLJYENYVGOQDQ-DENIHFKCSA-N 452.559 2.117 30 10 JEEE C=C(Cn1c(C(=O)NC(C)C)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1)c1ccccc1 1507853496 DUZXYYXRCINDEE-FQEVSTJZSA-N 467.618 2.166 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(CC)CCS(C)(=O)=O 1508075587 YMNUGUNKNJWFLJ-OAHLLOKOSA-N 465.645 2.305 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@]2(C)CN(C)C2=O)C1 1508114826 CEOPDKAMAUUUEY-OSPHWJPCSA-N 471.558 2.231 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3ccccc3n2)nnc1N1CCC(CC(N)=O)CC1 1508136396 RVRYEQQEWBDTOX-UHFFFAOYSA-N 468.583 2.186 30 10 JEEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1508158652 IBSPHJGHWCAZSY-GOSISDBHSA-N 455.563 2.486 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1ccccc1)C1CC1 1539012876 GUJSVDGYWPDPPQ-WMQCIHAUSA-N 457.600 2.263 30 10 JEEE C#CCCCn1c(COc2ccccc2OC)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1539140335 SVBBTPMCTUQMKP-UHFFFAOYSA-N 475.553 2.100 30 10 JEEE C#CCN(C)c1nnc([C@H](C)Oc2ccccc2F)n1CCS(=O)(=O)N1CCSCC1 1539147943 KNYBJLYODBKGJO-INIZCTEOSA-N 467.592 2.005 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1CC(C)(C)c1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 1539215546 FCMPGSZPDJEICP-IBGZPJMESA-N 480.594 2.348 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H](OC)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1539216500 SYBSZGKIABPCTJ-RTWAWAEBSA-N 451.552 2.355 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CC[C@@H]1CCO[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1539224018 BRRXQWIPSURVMC-SBHAEUEKSA-N 457.600 2.096 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(OCCN2CCCC2)cc1 1539283862 BVELZCGPYCHEBG-UHFFFAOYSA-N 474.609 2.500 30 10 JEEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)c1nc(-c2ccccc2)no1 1539344008 VEQOPZKZSAJLRR-JKSUJKDBSA-N 457.560 2.202 30 10 JEEE C#CCN(CCOC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@]1(O)CCSC1 1539416214 LWQKSHFZUYBNOH-HSZRJFAPSA-N 479.647 2.347 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@]2(OC)CCOC2)CC1 1539488500 KQIUBIVCUVJUPG-AREMUKBSSA-N 481.597 2.245 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H](CC)NC(=O)OC(C)(C)C)CC1 1539490503 WPTBCXYXRNLWIS-RTBURBONSA-N 474.606 2.399 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccccc2F)C[C@H]1C 1539706507 KVXPHJQMJJMLGG-XLIONFOSSA-N 478.594 2.041 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1540865402 FDAXKPOXTYOIBQ-UHFFFAOYSA-N 464.574 2.213 30 10 JEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 1540873054 KYOBZUSKJVYBIC-MRXNPFEDSA-N 475.619 2.287 30 10 JEEE CC(C)NC(=O)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@](F)(C#N)C1 1541685313 AXOGBOMBPAQBSK-NRFANRHFSA-N 461.929 2.218 30 10 JEEE CCCN(CC)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2C#N)CC1 1547120885 FFIUYROFEGMYLP-OAQYLSRUSA-N 485.658 2.110 30 10 JEEE CCO[C@@]1(c2nnc(N3CCN(c4ccc(C#N)cc4F)CC3)n2CCCC(=O)N(C)C)CCOC1 1547913894 AIEZRGODFCYEIG-VWLOTQADSA-N 499.591 2.136 30 10 JEEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 1587783608 UUSCROGYKQLJDX-FCHUYYIVSA-N 483.661 2.021 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H](C)N1CCC[C@@H](C)C1 1588099399 MBLHZHAJDORTFR-NHCUHLMSSA-N 482.654 2.389 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)ccc3C)n2CC2(S(C)(=O)=O)CC2)CC1 1588962047 SFLYXJYDJZHBHQ-UHFFFAOYSA-N 499.637 2.017 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCN1CCC(O)CC1 1589641464 KXOWLNBSSPBASV-UHFFFAOYSA-N 465.602 2.441 30 10 JEEE C=CCCOCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@@H](C(=O)OC)C1 1594813199 QIRUPOGVOMGIHI-LJQANCHMSA-N 455.563 2.044 30 10 JEEE C=CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1594866486 DJXYXCSZHFWRAX-HSZRJFAPSA-N 460.579 2.196 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2c[nH]c3ccccc23)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1595788985 MKGNETPNIDICNQ-SFHVURJKSA-N 470.599 2.332 30 10 JEEE CCN(CCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccccc2C#N)CC1)C(C)C 1615628605 CUBWAFDUGYHTIK-UHFFFAOYSA-N 452.607 2.345 30 10 JEEE COc1ccc(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2CCCN2CCC[C@H]2C(=O)N(C)C)cc1 1619317327 DNXWUDGIYLAKMB-SQJMNOBHSA-N 499.591 2.250 30 10 JEEE Cc1ccc(C(=O)N2CCN(CC(=O)N3CCN([C@H](C#N)c4cccs4)CC3)CC2)cc1 1657690782 ABQGTFUCVXQAKR-OAQYLSRUSA-N 451.596 2.223 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1CNC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC 1666519378 CHQJREFCJHDAGQ-OXJNMPFZSA-N 453.561 2.209 30 10 JEEE Cc1c(NC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cccc1S(=O)(=O)N(C)C 1670887532 IDNTZXYGYUIEON-GDBMZVCRSA-N 451.549 2.126 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2cnn(C)c2)c1 1689868864 SMYMHJIWVWKKOU-RUZDIDTESA-N 477.569 2.157 30 10 JEEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1689878707 SCKXZWXHDXDXLT-YADHBBJMSA-N 487.626 2.383 30 10 JEEE C#CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1689910827 RLDMUXUYXBXKOV-UHFFFAOYSA-N 477.613 2.305 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1CCNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1689986943 ZVWFRTGVOZNVCQ-QGZVFWFLSA-N 489.598 2.105 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1CCC(=O)NC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1689997272 ZDILTHWWIBYVAS-LJQANCHMSA-N 487.626 2.097 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC(=O)N1CCCCC1 1690091207 LRNSYFRNAHYWSM-FQEVSTJZSA-N 487.601 2.362 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C)cc2SC)CC1 1690143922 GPHJUXKQMITGPU-LJQANCHMSA-N 466.611 2.274 30 10 JEEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1690159832 NXBZHTDMQUPPJL-GFCCVEGCSA-N 460.423 2.271 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1CN(C(=O)OC(C)(C)C)C1 1690205994 DPKRSODBVORENJ-HTAPYJJXSA-N 463.604 2.039 30 10 JEEE C=C(C)CN(CC)c1nnc(C(=O)N2CCCC2)n1CCOc1ccc(S(C)(=O)=O)cc1 1690255321 QAUAIMIGPUKRGG-UHFFFAOYSA-N 461.588 2.399 30 10 JEEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](CNC(C)=O)C1 1690302434 FDGXHBJZADGQGL-LJQANCHMSA-N 475.615 2.294 30 10 JEEE C=CCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1690640883 OLQVGPMHOWRYMO-UHFFFAOYSA-N 492.628 2.241 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1690672756 CBKPGOYLIRQPAY-WMLDXEAASA-N 453.465 2.336 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1690727291 ZTCDCIOHLSEQFT-XXBNENTESA-N 460.600 2.048 30 10 JEEE Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@](C)(O)c2cccc(Cl)c2)n1 1693428833 CGTNTDLARVBIMS-SIKLNZKXSA-N 455.950 2.430 30 10 JEEE N#C[C@H]1CN(c2nnc(-c3cccc(Br)c3)n2C[C@@H]2CCCN2CCCO)CCO1 1698490583 DPXDADHUXGPTPS-OALUTQOASA-N 475.391 2.283 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1oc(CC)nc1C)[C@@H]1CCS(=O)(=O)C1 1705560786 KJNLFDFJDWNMMA-GOSISDBHSA-N 484.538 2.387 30 10 JEEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1CCCn1ccnn1)[C@@H]1CCS(=O)(=O)C1 1705561923 VVGUNBMPNABPPZ-NHCUHLMSSA-N 467.599 2.129 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CCO[C@@H]1CCCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1705569367 FXEPALPIEMTFGM-ILWGZMRPSA-N 471.627 2.486 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(F)ccc2Br)n1CC(=O)N1CCOCC1 1705591571 FQUSNJBAJKYHHH-UHFFFAOYSA-N 474.334 2.168 30 10 JEEE C=C(Br)Cn1c(COc2ccc(OC)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1705691009 OFPIPBIICQPLQG-RHSMWYFYSA-N 481.347 2.135 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CCC(OCC(N)=O)CC1 1705698143 PZQYHQZWMPCDFZ-XMSQKQJNSA-N 455.559 2.406 30 10 JEEE C=C(C)COCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@]2(CCOC2)C1 1705737066 JGEYZLAYRWWCLI-NTKDMRAZSA-N 493.605 2.175 30 10 JEEE C=CCC(C)(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(CC(=O)N(C)C)CC1 1705791823 FIMJKNGDFVVTCY-UHFFFAOYSA-N 495.676 2.265 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1705795520 LXCSIJPLKDRZEK-HBMCJLEFSA-N 474.650 2.347 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N(C)Cc1c(F)cccc1Cl 1705927905 IIJHNFBGLKYFIT-UHFFFAOYSA-N 457.959 2.446 30 10 JEEE CCN(C1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nnc(C)s2)CC1)S(C)(=O)=O 1709975357 HGDSJEYKTFPBGD-UHFFFAOYSA-N 486.627 2.275 30 10 JEEE CCO[C@H](CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1)C(C)C 1710409269 GLEJTBMUZLLZCH-WOJBJXKFSA-N 482.651 2.192 30 10 JEEE COC1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CN(CC(C)C)CCO2)C1 1711613651 DVSHVTZRSFVMHQ-OAQYLSRUSA-N 454.575 2.311 30 10 JEEE CS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCN(CC(F)(F)F)C2)C1 1712691748 BLXUYNZRLFOKAL-AEFFLSMTSA-N 482.532 2.324 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)N[C@@H](C)c1ccccc1 1722296472 QKJCSDWSPXOMHT-IRFCIJBXSA-N 488.658 2.198 30 10 JEEE C#CCCCn1c(CCOc2ccccc2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1722338404 HPVOJYWOLNQTGU-XUZZJYLKSA-N 464.614 2.302 30 10 JEEE C#CCN(c1nnc(C)n1Cc1cc(Cl)c(OCC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1722363926 IMMVNFPIJYMKBY-MRXNPFEDSA-N 452.964 2.322 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1c(C)nn(-c2ccccc2)c1C 1722391177 YBHAXLKRPUYJAD-LJQANCHMSA-N 479.610 2.202 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CCCN1S(C)(=O)=O 1722402049 OCIMSLSFEWFKGW-VAMGGRTRSA-N 461.632 2.084 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCc2ccc(O)cc2)CC1 1722437675 OSWPLLPICQNHFJ-JOCHJYFZSA-N 496.612 2.290 30 10 JEEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN2CCCC[C@@H]2C1 1722455604 TYRHLCSKDGHWQK-LJQANCHMSA-N 459.641 2.390 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H]1CC=CCC1 1722509917 RFJGWPVBKUACTK-CGXNFDGLSA-N 479.647 2.385 30 10 JEEE C=CCCCCn1c(-c2ccc(Br)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1722597156 HEIRUERURKWOLJ-QGZVFWFLSA-N 473.375 2.211 30 10 JEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2F)CC1 1722630053 UGTZLOVZFCHZCA-GOSISDBHSA-N 463.579 2.239 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1722717292 HRHJSCFWPQNGBL-NVXWUHKLSA-N 466.995 2.056 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1722723585 AFIGVGJRTGAPKN-IBGZPJMESA-N 497.625 2.241 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc3cccnc23)n1CCNS(=O)(=O)Cc1ccon1 1740545711 OXEBQSITJPEZJK-INIZCTEOSA-N 465.539 2.059 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1CCN1CC=CCC1)[C@H]1CCS(=O)(=O)C1 1740620403 WIMJNDOLMHLHBU-IBGZPJMESA-N 491.564 2.435 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC(C)(C)CN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1740622792 IQXTWWRJTHKWQB-HXUWFJFHSA-N 470.643 2.397 30 10 JEEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(CCOC)[C@H](CC)C1 1740715243 GIFHSNINLBPWOA-LJQANCHMSA-N 495.653 2.105 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1cnn(CC)c1 1740726821 PPMFHSQFSNGCIA-HSZRJFAPSA-N 467.599 2.452 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(F)(F)c1ccccc1 1740732162 TZEFVJJYAAGEOG-WIYYLYMNSA-N 479.553 2.395 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(Cc2c[nH]c3ccccc23)n1CCOCCS(C)(=O)=O 1740734018 WPSLGPOAGKALQB-HSZRJFAPSA-N 455.584 2.404 30 10 JEEE C=CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cnn(C)c2)CC1)c1ccccc1 1740856148 ZIRICSXFFQNVGN-TZIWHRDSSA-N 498.657 2.308 30 10 JEEE C=CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(NS(C)(=O)=O)CC1 1740862644 ZYXCVMNDRNLOBV-UHFFFAOYSA-N 485.614 2.066 30 10 JEEE C[C@H](CC#N)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CC1(C(N)=O)CCOCC1 1741797773 AGPFUIQMYZMFKZ-GFCCVEGCSA-N 450.341 2.056 30 10 JEEE CCN1CCN(C[C@@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(NC(C)=O)CC2)CC1 1746458100 FCQFITPWJHFIKN-HXUWFJFHSA-N 478.645 2.195 30 10 JEEE CN(CC1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1CCS(=O)(=O)N1CCSCC1 1747867350 BOUQBKWIHOKGDO-UHFFFAOYSA-N 490.655 2.058 30 10 JEEE C#CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1748706507 KXTRAIWYFSURPX-INIZCTEOSA-N 453.938 2.329 30 10 JEEE C#CCN(c1nnc(C(C)C)n1Cc1ccccc1CN1CCCC1=O)[C@@H]1CCS(=O)(=O)C1 1748801896 IWVAPXFUTGKANO-OAQYLSRUSA-N 469.611 2.199 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2Cc2cccc(OCCCOC)c2)CC1 1748990409 HSAOYVNUFFDBJY-QFIPXVFZSA-N 453.587 2.391 30 10 JEEE C#CCSCCn1c(-c2ccc(Br)cc2)nnc1N(C)CCNS(C)(=O)=O 1749024446 QPLXAJRILSNORR-UHFFFAOYSA-N 472.434 2.059 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](COC)OC 1749068028 AONXYJYYZIQVEI-YZZKKUAISA-N 463.579 2.240 30 10 JEEE C=C(Br)Cn1c(N2CCN(C(=O)OC)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1749113284 XFCQTMZLBZLKQN-GOSISDBHSA-N 458.357 2.116 30 10 JEEE C=C(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1749169131 PMVSBNVJSLPVBU-WOJBJXKFSA-N 473.666 2.399 30 10 JEEE C=CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1NC(=O)CC1(C)C 1749599521 GLSXRSJSDINUHU-IBGZPJMESA-N 468.606 2.006 30 10 JEEE COCC[C@@](C)(O)Cn1c(CN2CCCC2=O)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1749612526 FRWSOSDVROPJHS-RUZDIDTESA-N 482.585 2.107 30 10 JEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(OC2CCC(C)CC2)CC1 1749629829 IATPTUIGTJCEMN-QLOJAFMTSA-N 467.636 2.361 30 10 JEEE C=CCOc1ccccc1Cn1c(CC(C)C)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1749689734 NLBPQGRTFKWRGT-UHFFFAOYSA-N 480.613 2.361 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H]2CC[C@H](CO)O2)C1 1749694702 VFYVKHKCSQTWOH-QHAWAJNXSA-N 455.559 2.468 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](CC)c2ccccc2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1749724430 JGKYRWHLHKLJMM-AABGKKOBSA-N 473.599 2.356 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N(C)Cc1ccccc1N1CCOCC1 1749729988 WHBNKCBZJZJGPT-UHFFFAOYSA-N 482.610 2.414 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1749739513 DSNNEAWXBWJCHZ-ZWKOTPCHSA-N 464.563 2.460 30 10 JEEE C[C@H]1OCC[C@@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1752447737 FIPUDWQLLVTJHJ-SWWFSWNPSA-N 468.558 2.460 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1cccs1)C[C@@H]1CCCO1 1760154164 BCXQRCLBLXTDKY-AZUAARDMSA-N 493.655 2.272 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1Cc1ccc2c(n1)CCCC2)[C@H]1CCS(=O)(=O)C1 1760181756 BCMRNOVOWPJZOO-NRFANRHFSA-N 498.653 2.145 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1CCN(C(=O)OC)CC1 1760216569 SMGNOWHSNZMKTQ-UHFFFAOYSA-N 487.564 2.133 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2COc3ccccc3O2)n1CCCCCS(C)(=O)=O 1760220109 WOCAIEAIIRUWGM-OAQYLSRUSA-N 456.568 2.468 30 10 JEEE C=C(Br)Cn1c([C@H]2CCOC2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1760306063 ALLUNCCDCUEZFW-INIZCTEOSA-N 478.395 2.071 30 10 JEEE C=CCNC(=O)Cn1c(-c2sc3ccccc3c2Cl)nnc1N1CCO[C@@H](CNC(C)=O)C1 1760516152 WJZVQADSGASNFZ-HNNXBMFYSA-N 489.001 2.457 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(Cc2cc(F)ccc2OC)CC1 1760520561 RWPJYUQEZMYTMU-UHFFFAOYSA-N 467.549 2.056 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1760525506 IAHGCWPOVPUDSQ-IBGZPJMESA-N 469.590 2.259 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@H](C(=O)OC)C1 1760551175 VSZXYZCBSVZFJH-HNNXBMFYSA-N 470.498 2.147 30 10 JEEE C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CC1(S(C)(=O)=O)CCC1 1760700466 GIEVKOXNISGYAN-JKSUJKDBSA-N 479.628 2.042 30 10 JEEE C[C@@]1(C#N)CCCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1761542088 GSGOZQUCNUHKPX-LEWJYISDSA-N 481.525 2.226 30 10 JEEE COc1ccc(Br)c(-c2nnc(N(C)C[C@@H](C)C#N)n2CC(=O)N2CCOCC2)c1 1768406227 GCSRWMBFAKKJBG-AWEZNQCLSA-N 477.363 2.171 30 10 JEEE COC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCOC[C@H]2C)CC1 1769499302 ADTJRZDTSZXXON-IEBWSBKVSA-N 454.531 2.290 30 10 JEEE C=C(C)Cc1c(C)nn(CCC(=O)NCCNC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)c1C 1860304933 FSWLZWKTJZISAG-JOCHJYFZSA-N 465.598 2.290 30 10 JEEE C=CCNC(=O)[C@H]1C[C@H](O)CN1C(=O)c1ccc2nc(-c3ccc(OC)c(OC)c3)[nH]c2c1 1861410536 BGVDZYINWLFICS-QFBILLFUSA-N 450.495 2.125 30 10 JEEE O=C(C1=C(O)C(=O)N(CCc2cnc[nH]2)[C@@H]1c1ccc(O)c(O)c1)c1ccc2c(c1)OCCO2 1862607399 NQZUFODHRNGGCB-OAQYLSRUSA-N 463.446 2.413 30 10 JEEE C=CCn1cc(OCC(=O)NCCOC)c(=O)cc1CNc1ccc(Cl)c([N+](=O)[O-])c1 1870962067 PDLIEEOAPNLQEP-UHFFFAOYSA-N 450.879 2.349 30 10 JEEE COc1cc(C)ccc1OCC(=O)N1CCC(OCC#CCN2CCN(C(C)C)CC2)CC1 1890335845 KGOBGGUTHWLZSH-UHFFFAOYSA-N 457.615 2.419 30 10 JEEE CC(C)N1C(=O)CS[C@H](C(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)[C@H]1c1ccc(C#N)cc1 1890751713 AQDRDGVMPQSMQY-WWNPGLIZSA-N 484.622 2.049 30 10 JEEE C#CCNC(=O)C[S@](=O)C(C)(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 2019026377 KAZBSCZPBJHVNU-RIPCNWKXSA-N 482.558 2.255 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NC[C@H](C)N2CCN(C(=O)OC(C)(C)C)CC2)C1 2266525222 VPXZKUALPDTRCI-JPEQQQOWSA-N 464.607 2.351 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2266988749 STTMYFWYBAAXRN-DLBZAZTESA-N 450.316 2.147 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N=[S@](C)(=O)C1CN(C(=O)OC(C)(C)C)C1 2267275930 VFDGAQWTPNXXCE-JGCGQSQUSA-N 467.397 2.182 30 10 JEEE CN(C(=O)OC(C)(C)C)C(C)(C)CNS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2267357515 APVSWYTWFZKUDY-UHFFFAOYSA-N 469.413 2.305 30 10 JEEE CCO[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1NC(=O)c1occc1B1OC(C)(C)C(C)(C)O1 2267493738 MOLFBSDIXQPNEU-OAGGEKHMSA-N 450.341 2.379 30 10 JEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1c(C)nsc1B1OC(C)(C)C(C)(C)O1 2267529546 MRVNDOFNDXHYTK-UONOGXRCSA-N 467.397 2.115 30 10 JEEE C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CN(C(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)CCO1 2267552092 FEOSKWBVERREFA-GDBMZVCRSA-N 450.341 2.333 30 10 JEEE C[C@H](OCc1ccccc1)[C@@H](NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2269029374 AYNJNBYIVGECBG-WMLDXEAASA-N 481.401 2.384 30 10 JEEE Cc1c(B2OC(C)(C)C(C)(C)O2)csc1C(=O)N=c1nc(CNC(=O)OC(C)(C)C)[nH]n1C 2281941422 WDHRJIWDQASVDI-UHFFFAOYSA-N 477.396 2.183 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C)n1 2281995226 ZQKYEPDFEPXBSA-JKSUJKDBSA-N 462.400 2.435 30 10 JEEE CC1(C)OB(c2cnsc2C(=O)NC[C@]23CN(Cc4ccccc4)C[C@H]2CCO3)OC1(C)C 2282016058 SIKWINJBDLNJLF-KOSHJBKYSA-N 469.416 2.463 30 10 JEEE Cc1nc(C(=O)N2CCC(O)(CNC(=O)OC(C)(C)C)CC2)c(B2OC(C)(C)C(C)(C)O2)s1 2282022319 SJGFBEZOAVANMD-UHFFFAOYSA-N 481.424 2.243 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@H](C3CN(C(=O)OC(C)(C)C)C3)C2)n1 2282042407 GUQJHPPIZOOYDC-HNNXBMFYSA-N 460.384 2.048 30 10 JEEE C[C@@H](NC(=O)OC(C)(C)C)c1csc(NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)n1 2282105912 QZFARMLURSKGES-LLVKDONJSA-N 478.384 2.409 30 10 JEEE Cc1nc(C(=O)N2CCC[C@](O)(CNC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2282140100 PPTNXYQBEMBFLQ-QFIPXVFZSA-N 481.424 2.243 30 10 JEEE C[C@@H]1CC[C@H](CNC(=O)C(F)(F)F)N(C(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)C1 2282513429 PYLKEQDHBXSYIU-ZIAGYGMSSA-N 455.286 2.300 30 10 JEEE CC(C)(C)OC(=O)NC[C@]12CN(C(=O)c3nscc3B3OC(C)(C)C(C)(C)O3)C[C@H]1CCO2 2282525841 NFHHWNAZCOWXQO-PEBXRYMYSA-N 479.408 2.198 30 10 JEEE Cn1cc(C(=O)NC[C@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2282545964 KEDJGPOFIYKWON-CYBMUJFWSA-N 470.326 2.094 30 10 JEEE Cn1cc(C(=O)N[C@H]2C[C@H]3[C@H](C2)C[C@H]3NC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2282547442 QNYJYYKZLXRDKY-LVQVYYBASA-N 460.384 2.141 30 10 JEEE CCc1nn(C)c(C(=O)N2C[C@H](NC(=O)OC(C)(C)C)C[C@H]2C)c1B1OC(C)(C)C(C)(C)O1 2282560765 WNFJUHXXPMKHII-HUUCEWRRSA-N 462.400 2.409 30 10 JEEE CC(C)(C)OC(=O)N[C@H](C(=O)N1CCc2cccc(B3OC(C)(C)C(C)(C)O3)c21)C1COC1 2284017738 OQQMCJOULDUDGT-SFHVURJKSA-N 458.364 2.415 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N[C@@H](COCc1ccccc1)CC(=O)O 2285197497 MEUYESALCYZGSY-LJQANCHMSA-N 454.332 2.479 30 10 JEEE Cc1c(C(=O)N2C[C@@H]3C[C@]3(CNC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2288252967 SGBSEHPZRGAGIE-WNSKOXEYSA-N 460.384 2.015 30 10 JEEE C=CCN1C(=O)C(=Cc2cc(OC)c(OCC(=O)OCC)cc2Br)C(=O)NC1=S 2294204939 VYXLKMOCSVMXBK-UHFFFAOYSA-N 483.340 2.212 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1CC(F)(F)CN1C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2296414039 PXWMRVIJIQFWFO-AWEZNQCLSA-N 468.310 2.150 30 10 JEEE COCCCN1C(=O)C(=O)C(=C(O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@H]1c1ccccc1 2297743240 FEWPBISSCVKAHX-HXUWFJFHSA-N 458.536 2.395 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](O)CN1c1ncc(Cl)cc1B1OC(C)(C)C(C)(C)O1 2317242019 HGTZSCOGXHZIJZ-GJZGRUSLSA-N 453.776 2.499 30 10 JEEE CC(C)N1C[C@@H](c2nnc(SCC(N)=O)n2N=Cc2ccc(C(F)(F)F)cc2)CC1=O 2329012614 UKWGRMAGEUUQCF-ZDUSSCGKSA-N 454.478 2.481 30 10 JEEE CC(C)N1C[C@@H](c2nnc(SCC(=O)Nc3nccs3)n2N=Cc2ccc[nH]2)CC1=O 2329020409 XIAFDZJHBUGZNQ-ZDUSSCGKSA-N 458.573 2.400 30 10 JEEE COc1cc(OC)c(OC)cc1C=Nn1c(CCOc2ccccc2)nnc1SCC(N)=O 2329175838 QDXMLKNDPKCUSO-UHFFFAOYSA-N 471.539 2.385 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC2[C@H]3C[C@H]2CN(Cc2ccccc2)C3)n1C 2362436963 YAYBEFSMXZKNQZ-OALUTQOASA-N 450.392 2.278 30 10 JEEE CC(C)(C)OC(=O)N1[C@H](CNC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C[C@H]2COC[C@H]21 2362574540 LEKZCZKMJOQFJU-OFQRWUPVSA-N 479.408 2.197 30 10 JEEE COc1ccc(NC(=S)N/N=C(/C)c2ccc(S(=O)(=O)NCCC(=O)O)cc2)cc1OC 33711535 XJUWAIRMDVOLGY-QRVIBDJDSA-N 480.568 2.167 30 10 JEEE N#Cc1c(N2C(=O)[C@@H]3[C@H](CCC(=O)O)N[C@]4(C(=O)Nc5ccccc54)[C@H]3C2=O)sc2c1CCCC2 103925570 HQXWOTGBDHTKKO-MZYVBUQCSA-N 490.541 2.288 30 10 JEEE C=CCNC(=O)CN1CCN(C(=O)C[C@@H](NC(N)=O)c2cccc(Oc3ccccc3)c2)CC1 512713625 DVOCBTBKVLLTFY-JOCHJYFZSA-N 465.554 2.025 30 10 JEEE CCOc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)C(=O)NCc1ccc(C#N)cc1F 609256771 HYABTSYKBWAUCN-UHFFFAOYSA-N 476.530 2.381 30 10 JEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(-c3ccccc3)n2)c(=O)n1-c1ccc(C(C)C)cc1 838763939 FOUKJSJFHPEHHW-UHFFFAOYSA-N 496.596 2.408 30 10 JEEE CCC(C)=NOc1nc(NC(=O)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)nc(N(C)C)n1 1084057089 GKHPPMCDTHXBFQ-UHFFFAOYSA-N 486.898 2.174 30 10 JEEE N#CCc1ccc(OC[C@@H](O)CN2CCC[C@@H](S(=O)(=O)N3CCc4ccccc43)C2)cc1 1169078449 HLSMZWPIQIOEMI-JTHBVZDNSA-N 455.580 2.349 30 10 JEEE C#CCN(CC(=O)N1C[C@H](C)O[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1)C(=O)OC(C)(C)C 1176852759 LMNZJWWFTNQRED-SBUREZEXSA-N 451.564 2.484 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3noc4c3COCC4)n2CCCCCO)c1 1286308486 ACRXDMOQKSTAMZ-UHFFFAOYSA-N 464.526 2.225 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2Cc2nnc(C(C)(C)C)s2)c1 1286308618 BRWYXHMNGHGXCE-QGZVFWFLSA-N 492.609 2.483 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1CC(F)(F)CNC(=O)OC(C)(C)C 1286464615 CMQPBHGGYMUYPM-MRXNPFEDSA-N 457.522 2.418 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCN(CC)C(=O)OC(C)(C)C)CC1 1286472859 LYWQQZALPLHQGT-VWLOTQADSA-N 490.649 2.331 30 10 JEEE C#CCN1CCN(c2nnc(CCCOc3ccc(Cl)cc3C)n2Cc2nncn2C)CC1 1286483521 ONQAEYRRLCCGHA-UHFFFAOYSA-N 468.993 2.184 30 10 JEEE C=C(Br)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(CCOCC)CC1 1286531882 SBNVEQYVNKJGRM-UHFFFAOYSA-N 498.447 2.416 30 10 JEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@@H](COC)C1 1286688946 UUEBLTXINYVYLN-MOPGFXCFSA-N 455.625 2.220 30 10 JEEE C=CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCO[C@@H](CNC(C)=O)C1 1286701114 RKWJKZUHPYFWQY-IBGZPJMESA-N 479.585 2.373 30 10 JEEE C=CCCOCCn1c(Cc2ccsc2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1286712961 PYPLPLRRZXSMHX-QFIPXVFZSA-N 458.588 2.338 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCCN(CC)C(=O)C1 1286782760 FQQCKISIOHEQPS-UHFFFAOYSA-N 475.391 2.377 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2CCCC[C@@H]2C1 1286796987 ZGBRUCWISXCNSA-AZUAARDMSA-N 474.631 2.176 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCCCS2(=O)=O)C1 1286813046 QQURVLAIPBVDEH-IRXDYDNUSA-N 479.628 2.018 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ncccc1N(C)C 1300281844 DSSNYQKPOWGZJQ-QGZVFWFLSA-N 467.599 2.163 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CC1(O)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1300489777 SANSGACCTJNGLG-QGZVFWFLSA-N 463.991 2.315 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccccc1)N1CCCC1 1300578044 GCKFAXWLUMIVJA-PKTZIBPZSA-N 465.623 2.480 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@](O)(c2ccccc2)C(F)(F)F)CC1 1300681776 BNXPFUYBRUFHMQ-HSZRJFAPSA-N 492.546 2.402 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1300884478 KSRZBBCCQJIEPJ-RYRKJORJSA-N 484.523 2.105 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2ccccc2C)CC1 1301477593 CMFSUPSIHHOBII-UHFFFAOYSA-N 453.591 2.134 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1301489952 ICRFRVKVVSOHJU-SFHVURJKSA-N 486.020 2.034 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1301566891 SWKBSSGOBRKMSV-QFBILLFUSA-N 450.536 2.212 30 10 JEEE N#CC[C@H](CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)c1ccccc1 1352151743 DZBNPLRAPJUBKP-LJQANCHMSA-N 455.536 2.378 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H](C(C)C)N1CCOCC1 1358889943 JIWOQMDJYYPWET-UNMCSNQZSA-N 466.634 2.267 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@H](c1ccccc1)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1358955553 ODFXXPUKNVOPJQ-VXKWHMMOSA-N 485.654 2.276 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC[S@](=O)CC)[C@@H]1CCS(=O)(=O)C1 1358957626 XNLNMQPSAHTOTI-KGGRTRCXSA-N 499.058 2.467 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1Cc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1358965357 SXHLVYSDVOLALI-LJQANCHMSA-N 471.608 2.317 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@H](C(C)C)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1358965686 ZGGPLGLZZQORFZ-FCHUYYIVSA-N 470.643 2.011 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1Cc1ccc(C#N)o1)[C@@H]1CCS(=O)(=O)C1 1358968111 ZOHVZHZMJRDKJM-QGZVFWFLSA-N 469.498 2.136 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@]2(OC)CCOC2)CC1 1359047300 ACHHBBKXRZDVNR-XMMPIXPASA-N 487.988 2.282 30 10 JEEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1359054766 GQBKQULZAOKMLB-HNNXBMFYSA-N 474.587 2.476 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCN(C(=O)N2CCCC2)CC1 1359090773 GELMIAXKPGHWHK-ACRUOGEOSA-N 476.622 2.321 30 10 JEEE C=C(C)Cn1c(N2CCN(CC(=O)N3C[C@@H](C)C[C@@H](C)C3)CC2)nnc1[C@@]1(OCC)CCOC1 1359125204 SRLHRAIGJBWBBJ-TYBLODHISA-N 474.650 2.133 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1)C(C)C 1359264666 LSIJJNOPCIOSCP-CJFMBICVSA-N 485.633 2.244 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H]1CCSC1 1359309216 LDEOKSUMPQMNJO-DOTOQJQBSA-N 451.618 2.443 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1359329238 CLWSIQWDWDSVHD-LJQANCHMSA-N 475.615 2.296 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 1359334276 ZDTJJVSFXKIFLN-GOSISDBHSA-N 490.630 2.310 30 10 JEEE C=CCOc1ccc(Br)cc1NC(=O)CCNS(=O)(=O)c1cn(C)c(C)n1 1451172845 CRXCEMWBMSUUKG-UHFFFAOYSA-N 457.350 2.363 30 10 JEEE CS(=O)(=O)CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCC[C@H](O)C1)C1CC1 1505133013 BIGLOTHPMPJPBN-QUCCMNQESA-N 473.599 2.293 30 10 JEEE CS(=O)(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCn2cc(Cl)cn2)C1 1505142398 DHBGQYJQDLGPBW-KRWDZBQOSA-N 489.005 2.132 30 10 JEEE C#CCCCCn1c(Cc2ccccc2OC)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1507565479 CDMREAPEBCGPHT-VWLOTQADSA-N 464.570 2.496 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CC1(N(C)C)Cc2ccccc2C1 1507658849 PHKFKYNVNBLKGW-UHFFFAOYSA-N 467.577 2.488 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3)n2CCc2n[nH]c(C)n2)CC1 1507721516 UUQMOXODNFHKDS-UHFFFAOYSA-N 455.364 2.132 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OC)n2Cc2ccc(C#N)o2)CC1 1507741527 WHOBTWBLXGPQOM-UHFFFAOYSA-N 474.521 2.344 30 10 JEEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1507745536 ZSXHBMICEBZXLK-CYBMUJFWSA-N 458.407 2.025 30 10 JEEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1507747160 IBTXAMFCGXLOFR-DEOSSOPVSA-N 498.609 2.143 30 10 JEEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N(C)C2CCCCC2)CC1 1507947754 JXNPGDMXFKCKAC-FQEVSTJZSA-N 457.623 2.109 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCN(CC(F)(F)F)C2)C1 1508131288 LQMJZMUCCKJVMR-IRXDYDNUSA-N 456.513 2.066 30 10 JEEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)c1cccc(O)c1 1508159928 CBTIQUQAAZORDE-LPHOPBHVSA-N 481.644 2.433 30 10 JEEE C=CCSCCn1c(Cc2c(F)cccc2F)nnc1N(C)CC(=O)N1CCOCC1 1508162738 QCKURIKIRHOYRL-UHFFFAOYSA-N 451.543 2.361 30 10 JEEE N#Cc1cccc(-n2ccc(C(=O)NCc3cccc(NC(=O)CCN4CCOCC4)c3)n2)c1 1517063883 HHJMKIBXEOADBQ-UHFFFAOYSA-N 458.522 2.335 30 10 JEEE CN(CCN1CCOCC1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCC[C@H](O)C1 1517330831 BTCSNXMDRLEKSH-RTWAWAEBSA-N 454.575 2.048 30 10 JEEE COC(=O)[C@H](CCC(=O)N1CC(=O)Nc2ccc(C#N)cc21)NC(=O)OCc1ccccc1 1524671420 GTIXOFLAWYNRSW-SFHVURJKSA-N 450.451 2.092 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H](OC)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1539216498 SYBSZGKIABPCTJ-LEWJYISDSA-N 451.552 2.355 30 10 JEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1CCc1ccn(C)n1)[C@@H]1CCS(=O)(=O)C1 1539218766 CQLACZPFXDUJRY-HXUWFJFHSA-N 473.002 2.125 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1CCC1(COC)CCCC1)[C@@H]1CCS(=O)(=O)C1 1539223129 ZECXKFAHOJVKQA-RBUKOAKNSA-N 450.605 2.006 30 10 JEEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1C[C@@H](C1CC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1539230146 KRJCUCFSJBZHCG-FPOVZHCZSA-N 492.045 2.477 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1N1CCCCC1 1539296668 SNCOCFWCBZAGOU-HXUWFJFHSA-N 468.627 2.390 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@](C)(O)CC)CC1 1539468214 BQJFWCLPPZHUBE-OAQYLSRUSA-N 477.407 2.173 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCC(C)C)CC1 1539477488 OJQAFZKIIGFTHD-UHFFFAOYSA-N 461.570 2.204 30 10 JEEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1539510142 FLVNFOPMBQEGEG-APWZRJJASA-N 452.584 2.420 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCO[C@@H](c2ccc(Br)cc2)C1 1540868819 STADFWDWLYVEJP-GOSISDBHSA-N 484.358 2.378 30 10 JEEE C=CCNC(=O)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC[C@@H](C(F)F)C1 1540873712 HFUZBTUVTHXFAL-HXUWFJFHSA-N 487.599 2.427 30 10 JEEE C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCN(C)C1CCCCC1 1541803364 GXLIFEHDEIKRSV-UYAOXDASSA-N 481.667 2.004 30 10 JEEE CC[C@H](C)[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1545251255 DANROZJIVZPONA-NDIWIEOSSA-N 479.629 2.357 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(Br)ccc1OC 1587640851 VSLURWBUSGHDQF-KBPBESRZSA-N 467.389 2.458 30 10 JEEE C#CCCCn1c(Cc2ccccc2F)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1587865880 ZMAWIJWWYKIRPT-CVDCTZTESA-N 452.578 2.410 30 10 JEEE C=C[C@](C)(CC)C(=O)N(C)CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 1587994181 VBXKRWQUTCJUBM-HXUWFJFHSA-N 457.980 2.360 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CC(C)(C)CN(C)C)[C@H]1CCS(=O)(=O)C1 1588034448 GFLGKRGNTDUVMV-IBGZPJMESA-N 459.616 2.168 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1ccc(C(C)(C)O)cc1)[C@H]1CCS(=O)(=O)C1 1588055092 SCECLQZDEZWSQW-FPOVZHCZSA-N 472.611 2.075 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2Cc2cccnc2OC)CC1 1588908537 SLPZUVLQICAOLW-UHFFFAOYSA-N 490.564 2.380 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)CC1 1588930010 KZPYZUKHZXCEQU-JAXLGGSGSA-N 486.661 2.026 30 10 JEEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1589047780 JDGZQXOOIXSYTE-NQIIRXRSSA-N 455.632 2.019 30 10 JEEE C#CCSCCn1c(COc2ccc(F)cc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1589116987 QTVQYUOZOPMOIS-UHFFFAOYSA-N 481.619 2.223 30 10 JEEE C#CCSCCn1c(N2CCN(c3ccccn3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1589125759 QGJQMPGMQWJFPC-QHCPKHFHSA-N 456.616 2.407 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1CCS(=O)(=O)N1CCSCC1 1589178100 RFZXONYFHLFXTP-HXUWFJFHSA-N 481.047 2.364 30 10 JEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(OC)CC1 1594625964 JKYFYQZVQFQTRB-RXVVDRJESA-N 455.625 2.363 30 10 JEEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CN2C[C@H](C)O[C@H](C)C2)CC1 1594807405 NVHAFQKHBLZIBP-ZVDOUQERSA-N 460.623 2.148 30 10 JEEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1594942977 IYFINXCAYPDSTR-GOSISDBHSA-N 491.518 2.467 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(F)c(F)c1)C1CC1 1595058874 WJYVBPKZKCVIDW-IBGZPJMESA-N 467.542 2.287 30 10 JEEE CCOC(=O)[C@@H]1C[C@H]2/C(=N\NC(N)=S)CCCC[C@@H]2N1S(=O)(=O)c1ccc(C)cc1 1614222308 RHOODRQSFWQUPU-MCVUGQCRSA-N 452.602 2.069 30 10 JEEE CCCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1614987483 HLPNNVARTPXMFW-UHFFFAOYSA-N 458.570 2.183 30 10 JEEE N#Cc1ccccc1OCc1cccc(C(=O)N2CCN(S(=O)(=O)c3cc[nH]n3)CC2)c1 1638537064 FXCIEMPAEMNJET-UHFFFAOYSA-N 451.508 2.007 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1CCNS(=O)(=O)Cc1ccon1 1649539993 TVCCHSGMXRNHMV-AWEZNQCLSA-N 493.387 2.273 30 10 JEEE CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](C)N2CCN(c3ccc(C#N)cc3)CC2)cc1 1654540541 FRZMIORREZBZLB-SFHVURJKSA-N 455.584 2.394 30 10 JEEE N#Cc1ccc(OC2CCC(NC(=O)NCCS(=O)(=O)NCc3ccccc3)CC2)nc1 1666416426 HQVVRJWTOFWXIB-UHFFFAOYSA-N 457.556 2.062 30 10 JEEE C#CCCCCn1c(Cc2c(F)cccc2F)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1689895601 ZRAHBGAGSIVDRF-UHFFFAOYSA-N 456.497 2.471 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1690237171 WEYVYODYOAZQKO-RXVVDRJESA-N 482.585 2.066 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)NCCCC)CC1 1690245830 NKGPOHOIICJOPS-HKBOAZHASA-N 493.674 2.294 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1690246590 VWDMKAUMZNHCHK-AABGKKOBSA-N 495.646 2.076 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1cnc2c(Cl)cnn2c1 1690256871 YMVDNSZUQVUJHT-AWEZNQCLSA-N 466.999 2.230 30 10 JEEE C=CC1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2CC(=O)N(CCOC)C2)CC1 1690398782 GOIRSOCGWIOVLH-YKSBVNFPSA-N 461.607 2.216 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCOc2ccc(S(C)(=O)=O)cc2)CC1 1690410860 ZYDGHGAYWVVOPS-IBGZPJMESA-N 459.572 2.114 30 10 JEEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOc2ccccc2)CC1 1690484715 BRPXMICHDZLPNK-HXUWFJFHSA-N 459.616 2.347 30 10 JEEE C=CCCOCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1690503354 YWFOTSKAEVLCAZ-UHFFFAOYSA-N 482.976 2.407 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC(c3ccccc3CO)CC2)nnc1[C@]1(OCC)CCOC1 1690676708 AYCVKAJECNSHSI-VWLOTQADSA-N 469.586 2.109 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(CN3CCCC3=O)cc2)C1 1690684264 CBKDDPVDMUPRGB-OAQYLSRUSA-N 466.586 2.368 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1690711846 JNKSYTRTHWWZAS-CTNGQTDRSA-N 475.615 2.228 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCO[C@@H](COC(C)C)C1 1690724161 JDEZIIGQYONVCK-WIYYLYMNSA-N 492.598 2.022 30 10 JEEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)c2nc(C)cs2)CCO1 1696962148 GZCFODWUBFRDMS-KSSFIOAISA-N 451.556 2.337 30 10 JEEE COC[C@H](Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CC[C@](F)(C#N)C1)OC 1697760251 ANPBVCYQXKLMIV-HJPURHCSSA-N 469.521 2.339 30 10 JEEE C#CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC(=O)N(C)C[C@H]1C 1705516629 GJQUELBIOAGDTE-QZTJIDSGSA-N 460.579 2.057 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H](C)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1705563417 WZTZDGOZEFBIKG-HKUYNNGSSA-N 473.599 2.031 30 10 JEEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cc(F)ccc1N1CCOCC1 1705606184 XOMSHTLKLSMSGX-XMMPIXPASA-N 457.550 2.414 30 10 JEEE C#CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1705629449 IZMULQQIXUHRJM-SFTDATJTSA-N 479.629 2.490 30 10 JEEE C#CCSCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC(=O)N(C)C[C@@H]1C 1705659614 BBHLRQKYMHRYOA-ZWKOTPCHSA-N 476.647 2.426 30 10 JEEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(C)(C)C(=O)NCC 1705843815 OLFZKIUNTSTMCP-MRXNPFEDSA-N 450.584 2.371 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1705896454 NJHYDFGBZHYHQI-CHWSQXEVSA-N 470.393 2.311 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1705932291 ARDAIRBDPIAPKB-QHCPKHFHSA-N 470.599 2.340 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC[C@H](C(N)=O)C1 1705934019 YVCFBSXMFCBZKI-INIZCTEOSA-N 496.431 2.319 30 10 JEEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cccnc2OC)C[C@@H](C)O1 1712303014 CSRBQJGQSHKJFZ-UTKZUKDTSA-N 464.526 2.421 30 10 JEEE C#CCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCNS(=O)(=O)c1ccc(C)s1 1722349310 ITMKDUBUABKCDB-UHFFFAOYSA-N 473.580 2.134 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CCc1ccc(F)c(F)c1)[C@H]1CCS(=O)(=O)C1 1722367379 WAPDJXCVTJMUMU-MBSDFSHPSA-N 494.564 2.078 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1NC(=O)CC1(C)C 1722395293 XXRJYZQMONSEAB-KRWDZBQOSA-N 457.376 2.424 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCSc1ccc(C)cc1 1722397904 WLLRAMOIPOJBSQ-NRFANRHFSA-N 487.651 2.175 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CC[C@H]2COCCO2)CC1 1722450494 KLRUCAWGAYTHLB-QHCPKHFHSA-N 481.597 2.245 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1722490819 DMAKHZWHDWETCG-TWGBQZSLSA-N 463.623 2.140 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1722689276 QZHFOCZVEXXOQY-IRFCIJBXSA-N 486.592 2.406 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCOC(C)(C)[C@@H]1C 1722689742 YMDFPTFRSLHVKS-ZDUSSCGKSA-N 451.369 2.352 30 10 JEEE COC(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@](C)(O)c2ccco2)C1 1729777131 BFFCBIHCICVLRF-SBUREZEXSA-N 451.483 2.229 30 10 JEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](Oc2ccccc2)C1 1740574856 OGFKXMSJIWMMSL-VXKWHMMOSA-N 487.626 2.462 30 10 JEEE C#CCN(C)c1nnc(COc2ccc(OC)cc2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1740614327 NHWWACFLASSWKW-GOSISDBHSA-N 462.558 2.436 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@H]1CCCN1CC)[C@@H]1CCS(=O)(=O)C1 1740618409 HARVHEQPFMMDCB-WOJBJXKFSA-N 457.600 2.065 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@@H]1CCOC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1740625823 QINBLEMGRQSCQR-ILWGZMRPSA-N 456.612 2.477 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(I)cc1 1740629499 PTHWQBWXVLTYLY-UHFFFAOYSA-N 473.318 2.240 30 10 JEEE C=C(C)COCCn1c(Cc2ccccc2OC)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1740793723 LCLDVLWLFPXTCB-QFIPXVFZSA-N 482.585 2.237 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)Oc2ccc(OC)cc2)CC1 1740825280 LIPKQZORIAGJEJ-GHTZIAJQSA-N 491.614 2.244 30 10 JEEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1740858579 VHPDYNDOUNMFIJ-MRXNPFEDSA-N 464.567 2.237 30 10 JEEE C=CCCOCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1740888384 MIZZXBBSFQIVCH-VGOFRKELSA-N 461.588 2.247 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(-c2ccccc2)no1 1740932821 WRVNQARNHNPHFI-NRFANRHFSA-N 484.582 2.493 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1740987386 FSADFIZZJWNZHE-JPYJTQIMSA-N 460.600 2.493 30 10 JEEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@]2(C)CCCO2)c1 1747600519 BSTBJINTUXPNGA-LEWJYISDSA-N 462.551 2.206 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1CCN(C)[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1748819469 PBHVDTJZEMHBKT-ICSRJNTNSA-N 461.607 2.365 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1CCCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1748824753 SNQRQBDKEKJMHJ-LJQANCHMSA-N 486.573 2.218 30 10 JEEE C#CCN(CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1748906529 GPHZQAPQPABPPC-LJQANCHMSA-N 458.588 2.031 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@]2(N(C)C)CCC[C@@H](C)C2)CC1 1748972343 GOHZZOGCGXIVKD-CJFMBICVSA-N 464.618 2.191 30 10 JEEE C#CCSCCn1c(N(C)C[C@H](C)C(=O)NC)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1749049234 ZVUQCFDCZPHLQE-YESZJQIVSA-N 464.636 2.234 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(C(=O)NC)cc1 1749129906 HZXLNRPWLUHDOJ-NJYVYQBISA-N 487.626 2.157 30 10 JEEE C=CC1CCN(c2nnc(COc3ccccc3OCC)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1749346994 FOWYHFQSVKGNJY-QHCPKHFHSA-N 476.599 2.208 30 10 JEEE C=CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)OC[C@H]2C1 1749429895 FHTBNECRJMFUPR-SJORKVTESA-N 462.551 2.194 30 10 JEEE C=CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1749604265 GJEAJJIMFXLGSC-IBGZPJMESA-N 458.588 2.338 30 10 JEEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)Cc1ccccc1 1749652793 SRVKVHBAYWJCJM-UHFFFAOYSA-N 467.599 2.485 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2C[C@@H](C(C)C)N2CCOCC2)c1 1760125835 MUUTWKQXKWAIMX-QHCPKHFHSA-N 490.612 2.092 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2CCCC(=O)N(C)C)c1 1760129105 XXHVPFZVKWYORW-LJQANCHMSA-N 452.559 2.097 30 10 JEEE C#CCCCn1c(CSc2ccccc2OC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1760159511 IXMWPIYDTDWDHD-KRWDZBQOSA-N 468.583 2.465 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1C[C@H](C)Oc1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 1760189236 GTCQLWJDMHKQQJ-HKUYNNGSSA-N 458.584 2.333 30 10 JEEE C#CCN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1760227592 IOCGMUNTDDUWRD-ZEQKJWHPSA-N 467.614 2.393 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCOC2CCOCC2)CC1 1760255700 NTDMQYQCINRYRF-UHFFFAOYSA-N 454.531 2.194 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2CCCN2CCCCC2=O)CC1 1760264413 MNVTZMRWCCOACF-UHFFFAOYSA-N 466.586 2.024 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC(=O)NC(C)C)CC1 1760265620 GAMIQKWXPDWCDY-QGZVFWFLSA-N 470.549 2.048 30 10 JEEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1ccc(O)cc1 1760281357 MRTOMXCEWJODIZ-PMACEKPBSA-N 491.639 2.025 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(Cl)s1 1760294877 IUNUIKRBYIKSOL-HNAYVOBHSA-N 470.020 2.366 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1760312907 GLXBVBNYOSASDT-PMACEKPBSA-N 473.622 2.125 30 10 JEEE C=C(C)Cn1c(-c2ccc(Br)cc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1760343517 ZBABYPVPIROMOC-UHFFFAOYSA-N 473.375 2.211 30 10 JEEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](N1CCOCC1)C(F)(F)F 1760461360 QNGMHGUFSXBDRY-INIZCTEOSA-N 487.552 2.124 30 10 JEEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 1760514971 PYEOGCZHKFHSCA-ICSRJNTNSA-N 461.588 2.089 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1760514992 IVVAXHUFBIZODT-PBHICJAKSA-N 463.380 2.354 30 10 JEEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1760526094 DHFIHGPVDQHOIN-JOCHJYFZSA-N 479.585 2.186 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1760555714 LHDFUCIXPQQROR-LEWJYISDSA-N 471.583 2.222 30 10 JEEE CCNC(=O)C(C)(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@@H](C)CC#N 1765595017 GQUZELKOQRFIFG-HNNXBMFYSA-N 450.547 2.093 30 10 JEEE C=CCN(CC=C)c1nc(NC(=O)[C@H]2CC(=O)N(c3ccc(C(=O)OCC)cc3)C2)n(C)n1 1870003671 DUJMSNGJXHAHIH-KRWDZBQOSA-N 452.515 2.162 30 10 JEEE COC(=O)c1ccc(/C=C/C(=O)Nc2c(C#N)nnn2-c2ccc(N3CCN(C)CC3)cc2)cc1 1870154231 SYLVHKUPSKOVDO-LFYBBSHMSA-N 471.521 2.329 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCCN2C(=O)c3ccccc3C2=O)cn1CCOC 1870376846 IQIURXSNOFOMQE-UHFFFAOYSA-N 451.523 2.344 30 10 JEEE Cn1cc(/C=N/n2c(SCC(N)=O)nnc2[C@@H]2CC(=O)N(C(C)(C)C)C2)c2ccccc21 1874275174 YHQRNDCQIKUMPY-AKRDWEBESA-N 453.572 2.344 30 10 JEEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC1(CO)CCN(C(=O)OC(C)(C)C)CC1 2067994706 GPLFWKPBPMKVRF-QGZVFWFLSA-N 453.580 2.419 30 10 JEEE CC(C)(C)OC(=O)N[C@]1(C(=O)Nc2ccc(C#N)cc2Br)CCS(=O)(=O)C1 2181106501 WTPIZSKCYUFLCW-QGZVFWFLSA-N 458.334 2.341 30 10 JEEE CC1(C)OB(c2c[nH]nc2C(=O)N[C@]2(C)CCN(C(=O)OCc3ccccc3)C2)OC1(C)C 2247823562 PRFIEDLESAJOLL-HSZRJFAPSA-N 454.336 2.240 30 10 JEEE CC(C)(C)OC(=O)NCC[S@@](C)(=O)=NC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2247905600 JAQKBMVBQUKSOM-SSEXGKCCSA-N 459.399 2.205 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@H](CNC(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2255533819 YQCFVKABMWMWFG-AWEZNQCLSA-N 452.382 2.413 30 10 JEEE Cn1nc(C(=O)N[C@H]2CC[C@@H]2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2255648494 CLYOKFQDJGSEIN-RYUDHWBXSA-N 454.764 2.158 30 10 JEEE CC1(C)OB(c2c[nH]c(C(=O)N[C@@H]3CCOC[C@@H]3NC(=O)OCc3ccccc3)c2)OC1(C)C 2255709497 XBBRNYUKVHIFIK-QUCCMNQESA-N 469.347 2.128 30 10 JEEE COC1(CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)CN(C(=O)OC(C)(C)C)C1 2255878643 BUUITWRWSYKMIW-UHFFFAOYSA-N 452.382 2.413 30 10 JEEE CC(C)(C)OC(=O)NC(C)(C)[C@@H](O)C(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)cs1 2256639417 IONXQLGUQDMUKM-HNNXBMFYSA-N 454.398 2.328 30 10 JEEE Cn1ncc(CNC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)c1NC(=O)OC(C)(C)C 2267197503 LLGPBVJYQYIFPE-UHFFFAOYSA-N 463.369 2.453 30 10 JEEE Cc1nc(S(=O)(=O)N[C@H]2CC[C@@H]2OCc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)n1C 2267467707 PYQSCZRNRLGLAI-ROUUACIJSA-N 461.393 2.054 30 10 JEEE CO[C@H](C)[C@@H](CC(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1)NC(=O)OC(C)(C)C 2268649355 IQMNMTGWYRPMSA-ZIAGYGMSSA-N 469.413 2.377 30 10 JEEE CN(Cc1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(=O)CN1CC(NC(=O)OC(C)(C)C)C1 2268716291 DJZOBKTXQMCATD-UHFFFAOYSA-N 465.425 2.215 30 10 JEEE CC#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 2271603581 OUATZDFVJFORSR-LNPFQXMTSA-N 465.547 2.358 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2F)[C@@H](O)C1 2281761088 BHYGVUGTEKMKDL-ROUUACIJSA-N 464.343 2.225 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](O)CN1C(=O)c1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2281786964 YDHQYHCCTWJIRX-HOTGVXAUSA-N 464.343 2.225 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](O)CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2F)C1 2281790364 JLIGVQYNTUPHCV-JKSUJKDBSA-N 464.343 2.225 30 10 JEEE Cc1c(C(=O)N[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281985327 IZZXBLAYMPJPGR-HOTGVXAUSA-N 462.400 2.451 30 10 JEEE Cc1c(C(=O)N[C@]23CC[C@@H]2CN(C(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281992127 KBDZFCRQEJHQJV-CMJOXMDJSA-N 460.384 2.157 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H]3CC[C@@]3(NC(=O)OC(C)(C)C)C2)n1 2281997195 YMFPXVKMWGTMQR-IQMFZBJNSA-N 460.384 2.332 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H](C)N(C(=O)OC(C)(C)C)C[C@@H]1C 2282006774 YDHJTHKOHHBLTB-GJZGRUSLSA-N 462.400 2.498 30 10 JEEE Cc1nc(C(=O)NC[C@@H]2CN(C)CCN2C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2282019994 SVGQRBJEYGDCTM-OAHLLOKOSA-N 480.440 2.032 30 10 JEEE Cn1cc(C(=O)N[C@@H]2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)nc1B1OC(C)(C)C(C)(C)O1 2282033119 PBBPUZBQXKTSOP-HRCADAONSA-N 460.384 2.095 30 10 JEEE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1CNS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282424020 WOSXXNWZUXYPTO-QAPCUYQASA-N 481.424 2.305 30 10 JEEE CC[C@H]1CN(C(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)CC[C@H]1NC(=O)OC(C)(C)C 2282550542 AACDWYSLJKPUEB-JKSUJKDBSA-N 462.400 2.485 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)[C@H](CO)CC1 2282634010 GYMJOLAIZNIHIR-RDJZCZTQSA-N 464.368 2.317 30 10 JEEE CC(C)(C)OC(=O)N1CC(N(C(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)C2COC2)C1 2282670933 NJORDSNREAFFMB-UHFFFAOYSA-N 458.364 2.446 30 10 JEEE C[C@@H]1CN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C[C@@H](C)N(C(=O)OC(C)(C)C)C1 2282676284 JLOZVZVQYNQUNM-HZPDHXFCSA-N 460.384 2.493 30 10 JEEE Cc1cc(C(=O)N2C[C@@H](O)C[C@H]2CNC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2282695845 UOUBQYUDXIPACR-ROUUACIJSA-N 460.380 2.394 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1NS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282829617 HMJIQQKCQQTCFE-QZTJIDSGSA-N 481.424 2.495 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCCN(CC(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2283951733 AWSAWQYVBBCTAG-QGZVFWFLSA-N 460.384 2.308 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1NC(=O)C1(CNC(=O)OC(C)(C)C)COC1 2284033753 JVDOFCCRUQFGTJ-UHFFFAOYSA-N 462.352 2.474 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CCC(N)=O)C(=O)Nc1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)n1 2284041981 TVNIRKXBSLCPTB-CYBMUJFWSA-N 482.774 2.132 30 10 JEEE C[C@H](NC(=O)[C@H]1[C@H]2[C@@H]1OCCN2C(=O)OC(C)(C)C)c1nscc1B1OC(C)(C)C(C)(C)O1 2284068889 JPPCGZKAVATLCS-ZFZWDLNGSA-N 479.408 2.254 30 10 JEEE C[C@H](O)CN(CCNC(=O)OC(C)(C)C)C(=O)c1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2285351342 VYXPJZFMTHJZKY-HNNXBMFYSA-N 466.359 2.473 30 10 JEEE C[C@H](C(=O)N[C@H]1CCNC[C@@H]1C(=O)C=Cc1ccc([N+](=O)[O-])s1)N1C(=O)c2ccccc2C1=O 2328155890 CPGMXTFFJTXSNN-BVGQSLNGSA-N 482.518 2.018 30 10 JEEE COC(=O)c1ccc(C=Nn2c(CNC(C)=O)nnc2SCC(=O)Nc2ccccc2)cc1 2330718705 QKRDHOVMMMTVOA-UHFFFAOYSA-N 466.523 2.314 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2CCO[C@]2(CNC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C1 2362566162 FOXFTFDIFLENIT-JLCFBVMHSA-N 479.408 2.198 30 10 JEEE COc1[nH]c(=NC[C@@H]2COCCN(C(=O)OC(C)(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2365346702 XTQARWLDWOJTEV-INIZCTEOSA-N 463.384 2.107 30 10 JEEE CN(C(=O)c1nn(C)c(Cl)c1B1OC(C)(C)C(C)(C)O1)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1F 2369667022 HAHCBBJKMJRNGW-QWHCGFSZSA-N 486.781 2.402 30 10 JEEE Cc1ccccc1-n1c(=O)/c(=C\c2ccccc2OC(F)F)s/c1=C(/C#N)C(=O)N1CCOCC1 12565303 AQPMDMSTOYILHO-OTKMYCFOSA-N 497.523 2.171 30 10 JEEE COc1ccc(/C(C)=N/Nc2nnc(SCC(=O)NCc3ccccc3)n2N)cc1OC 21317143 XJIDXFAFHUEWBL-ZVHZXABRSA-N 455.544 2.254 30 10 JEEE COc1ccc(/C(C)=N/Nc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2N)cc1OC 21317260 GZIDJNYRZHTRDN-FSJBWODESA-N 486.514 2.484 30 10 JEEE C=CCn1nc(C)c(/C=N/Nc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2N)c1C 59829916 WTDOJTKJVIECEN-UFFVCSGVSA-N 470.519 2.076 30 10 JEEE CN(C)c1cccc2c(S(=O)(=O)NCCCCCC(=O)ON3C(=O)CCC3=O)cccc12 117733116 XYIICGLEONACOH-UHFFFAOYSA-N 461.540 2.352 30 10 JEEE N#Cc1nccnc1O[C@H]1CCN(C(=O)[C@H]2CC(=O)N(c3cccc(Br)c3)C2)C1 219935583 WZCXWKWTUDFYNI-BBRMVZONSA-N 456.300 2.144 30 10 JEEE O=[N+]([O-])c1cccc(C=NNc2nc(NCc3ccccc3)nc(N3CCOCC3)n2)c1O 254493895 SFTBQTIUODSOKR-UHFFFAOYSA-N 450.459 2.380 30 10 JEEE C=CCO[C@H]1O[C@@H](CO)[C@@H](O)[C@H](OCc2ccc(OC)cc2)[C@H]1OCc1ccc(OC)cc1 575449034 IQUHAHWLUCWASF-KKGFQHLNSA-N 460.523 2.455 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)C[S@](=O)CC(=O)Nc3ccc([N+](=O)[O-])cc3)cc21 586274075 JTFJGORFCOBUAN-YTTGMZPUSA-N 457.464 2.076 30 10 JEEE C=CCSC1=NC(=O)C2=c3ccccc3=N[C@H](c3cc4c(cc3Br)OCO4)N2N1 588227497 OUPNBHSZASIESM-SFHVURJKSA-N 471.336 2.240 30 10 JEEE C[C@]12CC[C@@H]3[C@H](CCC4=C/C(=N\OCC(=O)N[C@H](CC(N)=O)C(=O)O)CC[C@@]43C)[C@H]1CC[C@H]2O 605706656 PZKVVXINSMMEGU-VTNCTHAASA-N 475.586 2.128 30 10 JEEE CS(=O)(=O)CC[C@H](NC(=O)c1ccccc1Cl)C(=O)NCc1ccc(C#N)cc1F 609231185 NQKUERXBUNPNIJ-SFHVURJKSA-N 451.907 2.200 30 10 JEEE COc1cc(C=NNc2nc(SCC(=O)NCc3ccccc3OC)n[nH]2)c([N+](=O)[O-])cc1O 1083941731 KRMOTCUXCFNUAD-UHFFFAOYSA-N 487.498 2.290 30 10 JEEE COC(=O)c1ccc(C=NNc2nc(SCC(=O)NCc3ccc4c(c3)OCO4)n[nH]2)cc1 1084271676 LPZNQUWIBRTUKO-UHFFFAOYSA-N 468.495 2.175 30 10 JEEE C#CCN(C)c1nnc(-c2cccc(Br)c2)n1CCCN(CC)S(C)(=O)=O 1286363756 ZEOOETOWQCKGFK-UHFFFAOYSA-N 454.394 2.449 30 10 JEEE C#CCN(c1nnc(-c2ccc(COc3ccccc3)o2)n1CCOC)[C@@H]1CCS(=O)(=O)C1 1286389031 XTTUPKMPJITWNA-GOSISDBHSA-N 470.551 2.390 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2Cc2cccc(OCCN(C)C)c2)CC1 1286492803 JDFOAFARADLUOK-QHCPKHFHSA-N 494.640 2.127 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)CCCNC(=O)C1CCC1 1286546935 CDOJHCZBDLPFLF-UXHICEINSA-N 458.607 2.238 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1286557243 HSXUOZKHGGBFSU-JAVNYVMFSA-N 476.524 2.489 30 10 JEEE C=C(C)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCN([C@@H](C)C(=O)NCCCOC)CC1 1286592756 UGSPCAXTPHCUFO-SIKLNZKXSA-N 484.601 2.030 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](Cc2ccc(C#N)cc2)C1 1286819863 YEEVWXPECQDMQW-NHCUHLMSSA-N 482.610 2.161 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N(C)Cc1cnn(CC)c1 1286820616 OJVMUDDNCAADLQ-HXUWFJFHSA-N 472.571 2.244 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1286823027 QRYMQKFIFOZCNK-QFIPXVFZSA-N 478.578 2.314 30 10 JEEE CC(C)NS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@](C)(C#N)C1 1288267403 AIUOTZVJYBKMCH-JOCHJYFZSA-N 474.587 2.174 30 10 JEEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC(=O)NCc1ccco1 1300318305 ZOTVRFIROBWNIE-NRFANRHFSA-N 475.597 2.010 30 10 JEEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cc(C)nc(C(C)C)n2)CC1 1300382259 PFQGJSWVOZQIDY-UHFFFAOYSA-N 450.591 2.476 30 10 JEEE C#CCN(c1nnc(-c2ccc(OCCC)c(OC)c2)n1C[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1300489397 NGNCPLZXYFZIDG-UYAOXDASSA-N 488.610 2.406 30 10 JEEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@H](C)Sc1ccccc1)[C@H]1CCS(=O)(=O)C1 1300502771 XCKGOEKSRRVNLZ-OALUTQOASA-N 487.651 2.208 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCc1nc(C)c(C)s1)[C@@H]1CCS(=O)(=O)C1 1300505003 XHWKVLGPUAEWET-LJQANCHMSA-N 487.655 2.082 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2Cc2ncccc2N(C)C)CC1 1300689201 SFRZHFQKJXKZHD-UHFFFAOYSA-N 461.570 2.227 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(OCC(C)C)cc2)CC1 1300722130 HZTKUMVBKCXULE-JOCHJYFZSA-N 478.597 2.278 30 10 JEEE C#CCSCCn1c(Cc2ccccc2C)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1300766240 XUJSRWCOUWKLAW-UHFFFAOYSA-N 475.622 2.364 30 10 JEEE C=C(C)COCCn1c([C@H]2CCCO2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1301001712 MKUKDDRRHHPWPY-ILWGZMRPSA-N 460.623 2.101 30 10 JEEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@H](C(=O)NCCC)C1 1301435968 CXCKQZRLUJDVAQ-SFHVURJKSA-N 460.604 2.124 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC(O)(C(F)(F)F)CC1 1301497386 VEMLYFGCRBUUTO-UHFFFAOYSA-N 475.475 2.327 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN(CCN2[C@@H](C)CC[C@@H]2C)CC1 1301508401 KANHKMJZGIKUMT-PMACEKPBSA-N 471.675 2.227 30 10 JEEE C=CCOc1ccc(Cn2c(-c3cccn3C)nnc2N2CCO[C@@H](CNC(C)=O)C2)cc1 1301518988 OERGICAHHJUBLC-NRFANRHFSA-N 450.543 2.238 30 10 JEEE CC(F)(F)c1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)cc1 1303782034 BVXTWVVQJNUAEN-LAUBAEHRSA-N 498.531 2.213 30 10 JEEE CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@](C)(O)c2cccs2)CC1 1313987944 CRPTUDSQBNCCHU-XMMPIXPASA-N 479.610 2.044 30 10 JEEE CN(C)C(=O)CC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1314627758 ALXDMLJAFFJOGY-HXUWFJFHSA-N 484.626 2.336 30 10 JEEE COCCN(CCC#N)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN1CCCCCC1 1316100832 AWLCKMMPIUKAEM-UHFFFAOYSA-N 478.601 2.434 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CC1CCN(CCN(C)C)CC1 1358887356 VHZYFSSVFGZTMY-GOSISDBHSA-N 462.602 2.325 30 10 JEEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1C[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1358966075 HMYGYQIRVLCSGD-UXHICEINSA-N 458.584 2.137 30 10 JEEE C=C(Br)Cn1c(Cc2ccsc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1359086366 URYLZPOJPJFOPD-UHFFFAOYSA-N 462.377 2.426 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1359089113 BRSKROLBFMSKNC-MHTWAQMVSA-N 460.623 2.041 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(N(C)C(C)=O)CC1 1359106519 GXGTUNBHSBRZQP-MPJJRAAHSA-N 461.607 2.430 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)NC1CCCCC1 1359277218 FSDUGYYYUDVBRL-SFHVURJKSA-N 475.615 2.457 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1cc2ccccc2[nH]1 1359327404 ZTXCDTMTEPIIGC-UHFFFAOYSA-N 456.572 2.233 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@]2(CCC(=O)N2)C1 1359329686 RBELAJDNJHEMJU-OAQYLSRUSA-N 479.990 2.067 30 10 JEEE CC(=O)N1CCN([C@H]2CN(c3nnc(COc4ccc(C#N)cc4)n3CC(F)(F)F)C[C@@H]2C)CC1 1359398960 IGHKYJILKSMNIT-JXFKEZNVSA-N 491.518 2.280 30 10 JEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCN(Cc2ccc(OC)cc2OC)C1=O 1449159806 FUGXTBQSCDTVOE-MOPGFXCFSA-N 459.543 2.228 30 10 JEEE C#CCN1CCC(NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Br)CC1 1455947775 SWFFBOIDPADUPE-UHFFFAOYSA-N 454.390 2.061 30 10 JEEE CC[C@@H](C#N)Oc1cccc(CNC(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)c1 1465197052 IDTLBIVOEANYEI-WMZOPIPTSA-N 453.561 2.312 30 10 JEEE C[C@H]1C[C@H](CCn2c(COc3ccc(C#N)cc3)nnc2N2CCN(S(C)(=O)=O)CC2)CCO1 1493302899 BZPLYWGRIXIZOR-RBUKOAKNSA-N 488.614 2.016 30 10 JEEE CN(c1nnc(COc2ccc(C#N)cc2)n1CCC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1503431521 HBYFNADOQNSDBO-IBGZPJMESA-N 459.572 2.169 30 10 JEEE CS(=O)(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCn2cc(Cl)cn2)CC1 1505122937 ADFXXCXUEJDOHI-UHFFFAOYSA-N 459.963 2.380 30 10 JEEE C#CCN(c1nnc(-c2cn(C)c3ccccc23)n1C[C@@H](C)COC)[C@H]1CCS(=O)(=O)C1 1507632134 XKDVLOZCLQFXSD-MSOLQXFVSA-N 455.584 2.346 30 10 JEEE C#CCN(c1nnc(CN2CCCC2=O)n1CC(C)(C)c1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1507640578 TYFHAGMCKZRPIE-HXUWFJFHSA-N 487.601 2.144 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@@H]1CCOC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1507640801 WHGJFLUAFBPTAV-ACRUOGEOSA-N 472.611 2.465 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC(C)(C)C(=O)NC 1507662285 PRAWWDPXXYQKCN-UHFFFAOYSA-N 453.543 2.206 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@]2(OCC)CCOC2)n1CCN1CCOC[C@H]1C 1507700759 UZTNOJARIQDQLQ-NLFFAJNJSA-N 471.577 2.430 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1507792153 WZDZJSVWMSOEFY-AABGKKOBSA-N 460.623 2.386 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[C@H](OCC)C(C)C)CC1 1507884615 KMSCWTWUXAJFDF-RBUKOAKNSA-N 455.625 2.219 30 10 JEEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1507934584 GVKRCCGCUWCNNB-MSOLQXFVSA-N 496.659 2.310 30 10 JEEE C=CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1507952707 XPMGIBYOETYYCE-UHFFFAOYSA-N 465.558 2.269 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1CCN(C(C)=O)CC1 1508001432 QRMUVWDCDJHMBN-GOSISDBHSA-N 474.631 2.339 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCCO1 1508007945 JPLJYQUTHRRRFU-PKOBYXMFSA-N 481.644 2.434 30 10 JEEE C=CCN(CCc1ccco1)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCS(=O)(=O)C1 1508037314 WULFXQAZVKRCOV-LJQANCHMSA-N 458.588 2.403 30 10 JEEE C=CCn1c(C(=O)NC(CC)CC)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 1508042635 UYFXZOAJPOJPKD-QUCCMNQESA-N 459.639 2.199 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@H](C)[C@H]1CC 1508136589 URFRMGXWADDJSJ-QFBILLFUSA-N 456.576 2.146 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCO[C@@H](C)C1 1508141187 LPNNRCBYQYPXSL-ROUUACIJSA-N 483.635 2.219 30 10 JEEE C=CCSCCn1c(Cc2cccnc2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1508161566 GABRJLODGAURLZ-UGKGYDQZSA-N 469.659 2.172 30 10 JEEE CCc1nnc(Cn2c(-c3cccc(C#N)c3)nnc2N(CC)[C@@H]2CCS(=O)(=O)C2)s1 1513774282 BYVBZYAWOZAFAZ-MRXNPFEDSA-N 457.585 2.292 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 1538115529 CPDZSNNOSLBZPF-RXVVDRJESA-N 452.573 2.202 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CCn1cc(Cl)cn1)[C@H]1CCS(=O)(=O)C1 1539219392 JMIPMGHYNXWGMJ-INIZCTEOSA-N 494.955 2.324 30 10 JEEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1C[C@@H](OC)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1539225510 OJZXKJCNQJBZPZ-WOJBJXKFSA-N 484.626 2.204 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1539230582 IGJYYVSNKQNYHV-VAMGGRTRSA-N 474.631 2.029 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(Br)c2)n1CCS(=O)(=O)NC(C)C 1539346950 NBOVNCHYWZWSRI-UHFFFAOYSA-N 454.394 2.495 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2CCNC(=O)C(C)(C)C)CC1 1539488720 NWWQAWKEZOROSW-UHFFFAOYSA-N 464.614 2.191 30 10 JEEE C=C(Br)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1539585941 DIOLQTLVEYPLCC-CQSZACIVSA-N 455.744 2.243 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1539915519 BRQZSYXHQXWYBC-MOPGFXCFSA-N 451.637 2.084 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1540862530 CYAAUXLWYBDCRL-FUHWJXTLSA-N 458.538 2.164 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCN([C@H](C)c2nc(CC)no2)CC1 1540872063 AYGISIAGDZQIQL-QGZVFWFLSA-N 482.564 2.139 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCN(C)C(=O)OC(C)(C)C)C1 1540892943 UNJMSFKWDCGCHY-ZWKOTPCHSA-N 483.635 2.219 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2ccc(NC(C)=O)cc2)C1 1540893072 WMRMEGHFRFVDLH-CTNGQTDRSA-N 473.599 2.163 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccn3)n2Cc2cccc(S(=O)(=O)NC)c2)C1 1540894307 UVJJXXNRTPZRCJ-HXUWFJFHSA-N 468.583 2.002 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1540899455 PFGIRAFJEFUPOO-QUCCMNQESA-N 457.600 2.071 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1540908816 OKMCFSQKTWRKHA-QGZVFWFLSA-N 474.562 2.324 30 10 JEEE CC(C)OC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCOC[C@H]2C)CCO1 1541748036 CQNCMFRMSVYOCM-NFBKMPQASA-N 484.601 2.080 30 10 JEEE C[C@H]1CC(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CC(=O)N2CCOCC2)C[C@H](C)O1 1543651131 FXURPGRWWRRTCV-ROUUACIJSA-N 452.559 2.315 30 10 JEEE Cc1c(Br)c(C)n(NC(=O)[C@H]2CCS(=O)(=O)c3ccccc32)c(=O)c1C#N 1558973203 HPSCKJLLAZIWIU-ZDUSSCGKSA-N 450.314 2.131 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1Cc1cc(COC(C)(C)C)on1)[C@H]1CCS(=O)(=O)C1 1588045469 LMDSNUXLDAVVRY-SFHVURJKSA-N 486.598 2.262 30 10 JEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H](C)N(C)C1CC1 1588090268 VMCIPMYFKSUDIL-QGZVFWFLSA-N 453.616 2.102 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2ccccc2C)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1588148950 BVDCRPGUVJNHHN-GOTSBHOMSA-N 465.623 2.454 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)nc1 1588549911 BPKIWHLINBIXCX-QFIPXVFZSA-N 498.584 2.142 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC[C@@H]2CCO[C@H](C)C2)CC1 1588885688 YIIYRVUTCCIWRX-RTBURBONSA-N 479.585 2.096 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C)nnc1N1C[C@@H](C(=O)OC)[C@H](CNC(=O)OC(C)(C)C)C1 1589494489 LZPLBVAVWMHXKI-MKXGPGLRSA-N 463.579 2.318 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1589567240 CFTZNSDCSMHVHC-BKULYWANSA-N 469.586 2.488 30 10 JEEE C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 1589700808 ABLPWUXNSWSKTM-OAHLLOKOSA-N 455.544 2.346 30 10 JEEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 1595562369 WJWFDVASXKEBBD-MRXNPFEDSA-N 457.966 2.436 30 10 JEEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCc2c(F)cc(Br)cc2C1 1631494915 DXFZBHMOCUWKKX-UHFFFAOYSA-N 452.305 2.212 30 10 JEEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H](c2ccc(C)cc2)[C@H](C)S(C)(=O)=O)cc1 1634241687 IKUTYZZBOCZTOI-JXFKEZNVSA-N 450.582 2.364 30 10 JEEE N#Cc1cccc(CN2CCC(NC(=O)N3CCC(S(=O)(=O)N4CCCC4)CC3)CC2)c1 1636586111 IBKVENJSHFBOQC-UHFFFAOYSA-N 459.616 2.122 30 10 JEEE COC(=O)[C@@H](O)C1CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccc(F)cc2)CC1 1652954201 FDCJEBBADQODQT-QFIPXVFZSA-N 456.518 2.348 30 10 JEEE C=CCNC(=O)c1cccc(S(=O)(=O)NCC(=O)N2CCC(Cc3ccccc3)CC2)c1 1654416352 JBKUOCIQJPFKEM-UHFFFAOYSA-N 455.580 2.362 30 10 JEEE Cc1nn(C)c(N2CCN(C(=O)N[C@@H]3CC(=O)N(c4ccc(Cl)c(F)c4)C3)CC2)c1C#N 1680474882 BNFLRCDPBJHWOS-CQSZACIVSA-N 459.913 2.030 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCCO3)n2Cc2ccc(C(N)=O)nc2)c1 1689872110 OOGDQINUDJYPNW-NRFANRHFSA-N 473.537 2.118 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCCO3)n2CC2CCS(=O)(=O)CC2)c1 1689872404 XVEUYFOIRBOWJZ-NRFANRHFSA-N 485.610 2.401 30 10 JEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(=O)Nc2ccccc2)CC1 1689874972 HDBXBBNOSCLIRG-SFHVURJKSA-N 487.630 2.482 30 10 JEEE C#CCN(c1nnc(-c2ccc(Br)cc2)n1CCC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1689982428 NBEARPPKYPBWSY-QGZVFWFLSA-N 481.416 2.495 30 10 JEEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1CC(F)(F)CNC(=O)OC(C)(C)C 1690003751 WSVFMTSEADHGGY-OAQYLSRUSA-N 467.517 2.163 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2OC)n1CCCn1cc(CO)nn1 1690038085 BXUHDRNPTOIFHT-UHFFFAOYSA-N 453.934 2.244 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Br)cc3)n2CC2(O)CC2)CC1 1690139667 WURKALYEHGYPQM-UHFFFAOYSA-N 458.360 2.198 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1690250999 NVZHNHBYKJSEAI-SWHJIRTISA-N 498.676 2.158 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1690661716 DWDPSPWPYXGRTR-INIZCTEOSA-N 492.422 2.089 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)CNC(=O)OC(C)(C)C)C1 1690684448 GACWEWNIFGBLCQ-ZWKOTPCHSA-N 462.595 2.456 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Br)c3)n2CCNS(C)(=O)=O)C1 1690687442 BLGHEJGNXWSREC-MRXNPFEDSA-N 470.393 2.038 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@](C)(CC)C1 1690722415 INQIZRHBAPZRHI-NRFANRHFSA-N 480.660 2.465 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H]1[C@H]2CCC[C@H]21 1690724290 LMZIPKUQOAFYGT-ZSYWTGECSA-N 495.646 2.422 30 10 JEEE CS(=O)(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCC[C@@H](O)C2)CC1 1698301423 BHRNLEIXAPCBMA-RTBURBONSA-N 473.599 2.293 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1c(C)nn(Cc2ccccc2)c1C 1705476929 HCSCBYUAPDYDPV-SJLPKXTDSA-N 469.615 2.256 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1CCCN1C[C@H](C)O[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1705570793 QXPUGBIVVYGIEF-WPFOTENUSA-N 499.681 2.303 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(CC)CC)n1C[C@@]1(O)CCN(C)C1 1705619456 RAADHLPGQHEYQV-XMMPIXPASA-N 456.566 2.042 30 10 JEEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1705686566 CHQGKKXYBHZDGB-ZDUSSCGKSA-N 462.356 2.162 30 10 JEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(c2ccccc2C#N)CC1 1705830585 SQMGIMWKMXXNIV-NRFANRHFSA-N 484.626 2.361 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCCN(Cc2ccc(F)cc2)CC1 1705902369 CWFYOXJFFRUAHR-HXUWFJFHSA-N 456.566 2.326 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(O)(Cc2ccc(F)cc2)CC1 1705909071 LZPRKRABZVLOOJ-UGKGYDQZSA-N 487.576 2.017 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3cccnn3)CC2)cc1 1705909957 NDJDXEDATHNLRC-UHFFFAOYSA-N 462.558 2.146 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1705933862 UIKADPFTWQPCKE-AWEZNQCLSA-N 461.009 2.069 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCN([C@H](C)c3nc(C4CC4)no3)CC2)nnc1C(C)(C)C 1705938866 LGBKVHROEICZNP-MRXNPFEDSA-N 477.635 2.320 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1CC1(C(=O)N(C)C)CCCC1 1706852629 FMFIZHOWRTUGNF-KRWDZBQOSA-N 487.630 2.045 30 10 JEEE CNC(=O)[C@@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)OC(C)(C)C)C1 1711316603 GDVZGNUVKZNUSN-QHCPKHFHSA-N 453.547 2.304 30 10 JEEE N#C[C@@H]1CN(c2nnc(-c3cc(F)ccc3Br)n2C[C@@H]2CCS(=O)(=O)C2)CCO1 1712882544 DEXFKFVYEMKMID-GXTWGEPZSA-N 484.351 2.010 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccccc1C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1722366586 IWFGEJRJGZRLEW-IAGOWNOFSA-N 468.501 2.476 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCCc2cnn(C)n2)CC1 1722431358 OJJOCPAGKOGBBC-GOSISDBHSA-N 452.538 2.074 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccccc2NC(=O)OC(C)(C)C)CC1 1722436736 LHIPIXHKAWHRJJ-HXUWFJFHSA-N 479.585 2.380 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](C)Oc2cccc(OC)c2)CC1 1722446011 JGWOUELQRDPXRY-SFHVURJKSA-N 477.569 2.121 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@H]1CCOC1 1722447369 LFFVCAKMMODWKH-SFHVURJKSA-N 450.543 2.358 30 10 JEEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1722465884 VXBSGFMUGWGDRR-FDDCHVKYSA-N 453.568 2.479 30 10 JEEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1722701744 BSVMNSWWXXDUKK-LJQANCHMSA-N 455.559 2.242 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CC(=O)N(C)[C@@H](C)C2)cc1 1722701956 BKAJDJXAIANDOK-KRWDZBQOSA-N 461.526 2.205 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCN(Cc2cc(C)no2)CC1 1722725826 TUBJUWGIYCOSKQ-UHFFFAOYSA-N 474.562 2.304 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(C(C)=O)C[C@H]1C 1722727226 JPCYXSLDPNKHSU-QGZVFWFLSA-N 470.599 2.095 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(n2cc(Cl)cn2)CC1 1722736887 LMLQZYAQPUKHQV-LPHOPBHVSA-N 499.037 2.294 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](N2CCCC2)C1 1722751261 RTYVIZAHWWMFBI-OAQYLSRUSA-N 454.600 2.482 30 10 JEEE CCOCc1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1C[C@@H](C)N1CCN(CC)CC1 1729081659 GSTFEUCUNYYHHP-OFNKIYASSA-N 467.618 2.290 30 10 JEEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOc2ccc(Cl)cn2)CC1=O 1730785690 IETSOKFFCIBDGN-UHFFFAOYSA-N 481.944 2.239 30 10 JEEE CS(=O)(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCC=CO2)C1 1731013603 ARRLBBZHIPEQTQ-QUCCMNQESA-N 456.572 2.275 30 10 JEEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1740580904 KWNOWJYFTSICOA-JOCHJYFZSA-N 484.048 2.491 30 10 JEEE C#CCN(c1nnc([C@@H](CC)c2ccccc2)n1CCc1cn[nH]c1)[C@H]1CCS(=O)(=O)C1 1740617403 QNXXISUVUYIKJF-SFTDATJTSA-N 452.584 2.413 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1CCCN1C[C@@H](C)C[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1740621788 PCUJXNHASJCNRS-QHAWAJNXSA-N 472.659 2.278 30 10 JEEE C#CCN(c1nnc(-c2noc3c2COCC3)n1CC[C@H](OCC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1740623491 VFIJILPYJIOMCO-MJGOQNOKSA-N 491.614 2.084 30 10 JEEE C#CCN(CC#CC)c1nnc(COc2ccc(OC)cc2)n1CCN1CCOCC1(C)C 1740658370 HVUZGYZNHNXOIU-UHFFFAOYSA-N 451.571 2.439 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(S(C)(=O)=O)CCCC1 1740668820 AYZYZTBVSWCTKO-UHFFFAOYSA-N 468.583 2.009 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3COc4ccccc4O3)n2C[C@](C)(O)C(C)C)CC1 1740705351 GBKPTXAUGWLCBK-BWKNWUBXSA-N 467.570 2.163 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(Cn2cccn2)c1 1740724861 IVSZVTRHGHVSSU-WZONZLPQSA-N 467.599 2.174 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 1740792286 GWAQXHZFEFYKBS-ICSRJNTNSA-N 458.607 2.297 30 10 JEEE C=CCC(C)(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1740844898 XTIFDKAPROVHAR-LJQANCHMSA-N 495.671 2.469 30 10 JEEE C=CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@H]1CCOC[C@H]1OC 1740903322 UBSJLZBJHKOOSB-JTHBVZDNSA-N 454.619 2.317 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1740953625 MIKCCTXEBWNIIN-OAHLLOKOSA-N 492.422 2.469 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1740953782 QSALOCRBANIQNN-SUMWQHHRSA-N 491.365 2.206 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@](C)(O)c2ccc(F)cc2)C1 1740980824 NCDWJTPXCRZJRC-NBCNXNJRSA-N 464.563 2.008 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(Cl)cc2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1740993980 LIDRYMIHXDQDQM-JTSKRJEESA-N 497.017 2.496 30 10 JEEE CC1CCN(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)Cc2cccc(C#N)c2)CC1 1743190679 AHLMAJFLUZQDPE-GOSISDBHSA-N 459.620 2.128 30 10 JEEE CN(C)C(=O)Nc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(CCC#N)CC2CC2)cc1 1747547308 GBTSUBDCLUHTRA-LJQANCHMSA-N 485.614 2.452 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H](C)CN1CCN(CC)CC1 1748666415 AFYXEELMGJYOBN-OALUTQOASA-N 462.602 2.325 30 10 JEEE COc1ccc(CCc2nnc(N3CCC[C@](C)(C#N)C3)n2CCCn2cc(CO)nn2)cc1 1748720013 DYZRMHGCSHLEKW-XMMPIXPASA-N 464.574 2.376 30 10 JEEE C#CCCCn1c(C2CCCC2)nnc1N1C[C@@H]2[C@H](C1)[C@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1748751237 UTXMNACPTHCMCF-GUDVDZBRSA-N 477.631 2.476 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@](C)(O)CCC)[C@@H]1CCS(=O)(=O)C1 1748808385 KRKGNGSJEIGPFZ-JPYJTQIMSA-N 476.599 2.140 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1C[C@H](C)CNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1748821272 OBEUIFMFGQQGTJ-AEFFLSMTSA-N 465.620 2.018 30 10 JEEE COc1cccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@@](C)(C#N)C2)c1OC 1748954640 BADOKVVNALMXBC-JTSKRJEESA-N 459.572 2.376 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2cccc(CN3CCO[C@@H](C)C3)c2)CC1 1749019485 VZNCTTDAGFWPIN-NRFANRHFSA-N 494.640 2.049 30 10 JEEE C#CCSCCn1c(-c2cccc(OC(F)F)c2)nnc1N(C)CC(=O)N1CCOCC1 1749023357 SIZNKNZWRICHRZ-UHFFFAOYSA-N 465.526 2.208 30 10 JEEE C#CCSCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1749038219 ITWDEAWJJZMQOQ-MOPGFXCFSA-N 488.658 2.474 30 10 JEEE C=CCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1749448186 USQPEPPQJIHYTM-OAQYLSRUSA-N 486.598 2.253 30 10 JEEE C=CCNC(=O)Cn1c(N2CCN(CC(C)C)C(=O)C2)nnc1C1(c2ccccc2)CCC1 1749682253 PXNZHYBRQGVRJF-UHFFFAOYSA-N 450.587 2.355 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCn2nc(C)nc2C1 1749727128 NMFVNSZHPYZVIA-UHFFFAOYSA-N 465.942 2.259 30 10 JEEE C#CCCCCn1c(-c2noc3c2COCC3)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1760135540 ZDOMDPZHEZAIGQ-AWEZNQCLSA-N 466.464 2.314 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H](C)Oc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1760189370 UDBCLEYHPWGJDG-YQVWRLOYSA-N 462.547 2.015 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1Cc1ccccc1CN1CCC(O)CC1 1760217326 YHWHQFAEMAFTQL-UHFFFAOYSA-N 457.582 2.147 30 10 JEEE C#CCN(CC)c1nnc(COc2ccc(C#N)cc2)n1Cc1cccc(N2CCOCC2)n1 1760237659 PUWMZDITGQPSIB-UHFFFAOYSA-N 457.538 2.468 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](OC)c1ccc(Cl)cc1 1760249468 MHNIFJQQTOVMGL-PKOBYXMFSA-N 466.991 2.307 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H](CC)NC(=O)OC(C)(C)C)CC1 1760251532 BZEGBQKSGRPBEH-IBGZPJMESA-N 475.638 2.255 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1760411389 KXCWNFXRGGZCMA-ACRUOGEOSA-N 485.677 2.458 30 10 JEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](OC(C)(C)C)C1 1760440421 JOKPXFCWCIXQMV-ZWKOTPCHSA-N 455.625 2.361 30 10 JEEE C=CCCOCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCCN(S(C)(=O)=O)CC1 1760452839 SFAWAWPTPVXTRK-UHFFFAOYSA-N 472.615 2.415 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1760528163 UFPBXHPJVRERSW-NRFANRHFSA-N 483.686 2.397 30 10 JEEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2csc(C)n2)C1 1765671643 GVPCLTNYIQKMGB-IBGZPJMESA-N 471.612 2.342 30 10 JEEE CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1766692745 GRBNTYMILQPDOQ-UHFFFAOYSA-N 479.610 2.091 30 10 JEEE COC(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCCS2(=O)=O)C1 1769397299 BGTWIBVLXIMQJX-ICSRJNTNSA-N 487.582 2.085 30 10 JEEE C=CCNC(=O)NS(=O)(=O)c1ccc(CNC(=O)Cc2ccc(Br)cc2)cc1 1858650090 TXZZAHAVHXMDQC-UHFFFAOYSA-N 466.357 2.482 30 10 JEEE C=CCN(CC=C)c1nc(NC(=O)[C@@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2)n(C)n1 1870003832 MPRBLCZGHCAUCU-GOSISDBHSA-N 468.558 2.040 30 10 JEEE CCn1cc(OCC(=O)Nc2sc3c(c2C#N)CCC3)c(=O)cc1CN1CCC(C(N)=O)CC1 1870324496 MXRWSSJDTCKIKG-UHFFFAOYSA-N 483.594 2.005 30 10 JEEE CCCCCCCCN=c1nc(Nc2ccc(S(N)(=O)=O)cc2)[nH]c(N(CC)CCO)n1 1871509684 HXYWHLWXQGODSY-UHFFFAOYSA-N 465.624 2.276 30 10 JEEE CCN1CCN(CC#CCOC2CCN(C(=O)c3cc(F)c([N+](=O)[O-])cc3F)CC2)CC1 1891255036 GIHJXOBKMZGNQH-UHFFFAOYSA-N 450.486 2.135 30 10 JEEE CC(C)(C)OC(=O)N1CCn2ncc(C(=O)N3CCN(Cc4ccccc4)[C@@H](C#N)C3)c2C1 1964764663 YICXUKOJUCUGSU-IBGZPJMESA-N 450.543 2.484 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)O 2059771531 VYVKATXOPSSKOH-GJZGRUSLSA-N 454.524 2.106 30 10 JEEE CC1(C)[C@@H](O)CC[C@]2(C)C3=C([C@@H](O)C[C@@H]12)[C@]1(C)[C@H](O)C[C@H]([C@](C)(O)C[C@H]2OC2=O)[C@@]1(C)CC3=O 2069562955 QUDLVHSYSRPJNA-QLCHRBOZSA-N 476.610 2.284 30 10 JEEE C#CCOCCOCCNC(=O)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2133327133 BBCPPEKHURMYBQ-UHFFFAOYSA-N 459.587 2.329 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1[C@H]2C[C@@H](CN(c3ncccc3B3OC(C)(C)C(C)(C)O3)C2)[C@H]1CO 2241123890 NGBPMPYBAPATMI-BMFAXAFESA-N 459.396 2.339 30 10 JEEE CC(C)(C)OC(=O)N1CCN(c2nccc(B3OC(C)(C)C(C)(C)O3)c2F)[C@](C)(CO)C1 2266063980 BTSADZUXDAUJLT-QFIPXVFZSA-N 451.348 2.328 30 10 JEEE CC(C)N(CCN(C)C(=O)OC(C)(C)C)C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2267188846 ROFYJEIKKPOIDZ-UHFFFAOYSA-N 450.389 2.437 30 10 JEEE C=C(CS(=O)(=O)N[C@H](C)C1(O)CCN(C(=O)OC(C)(C)C)CC1)B1OC(C)(C)C(C)(C)O1 2267462717 DTESJLCXGSOJSP-MRXNPFEDSA-N 474.429 2.244 30 10 JEEE CC(C)(C)OC(=O)N[C@]1(CNS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)CCOC1 2267468783 MWCXZDQIBDGHPC-FQEVSTJZSA-N 488.437 2.009 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1S(=O)(=O)N[C@H]1C[C@@H]1CNC(=O)OC(C)(C)C 2267471759 VNFZEFDAAIZBQE-WBVHZDCISA-N 466.409 2.486 30 10 JEEE CC1(NS(=O)(=O)c2ccc(F)cc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2267708163 FRNAICLUQHPYTL-UHFFFAOYSA-N 470.372 2.413 30 10 JEEE CNC(=O)CN(Cc1ccccc1)S(=O)(=O)Cc1ccccc1B1OC(C)(C)C(C)(C)O1 2267709919 KHBAIKPJSIRCHU-UHFFFAOYSA-N 458.389 2.064 30 10 JEEE Cn1nc(CNC(=O)OC(C)(C)C)cc1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2268653783 RECBSUYKLHBXGK-UHFFFAOYSA-N 463.369 2.453 30 10 JEEE COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1NC(=O)[C@H](CCO)NC(=O)OC(C)(C)C 2268711959 PYFLPQCIRUILFU-INIZCTEOSA-N 450.341 2.209 30 10 JEEE CO[C@@H]1[C@H](OC)CN(C(=O)OC(C)(C)C)[C@@H]1CNc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2279465333 KVQQKIDBQOWADL-LMMKCTJWSA-N 463.384 2.442 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@](O)(CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)c(F)c2)C1 2281770891 AKWUJFYIKMKWRE-HSZRJFAPSA-N 464.343 2.227 30 10 JEEE Cc1c(C(=O)N[C@@H]2C[C@@H]3[C@H]2CCN3C(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281806318 IPRZEMBMOYYFTM-ARFHVFGLSA-N 460.384 2.155 30 10 JEEE Cc1nn(C)c(C(=O)N[C@H]2C[C@@H](F)CN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2281985698 LLFIKAFGKFWHRK-CABCVRRESA-N 466.363 2.105 30 10 JEEE Cc1ccnc(C(=O)N2CCC[C@@H](NC(=O)C(F)(F)F)[C@H]2C)c1B1OC(C)(C)C(C)(C)O1 2281999681 GNHOWJQSQZGNRL-ZIAGYGMSSA-N 455.286 2.361 30 10 JEEE CC1(C)OB(c2nscc2C(=O)N2CC[C@@](CNC(=O)C(F)(F)F)(C3CC3)C2)OC1(C)C 2282000317 NAWFICJQCICZPA-IBGZPJMESA-N 473.326 2.363 30 10 JEEE Cn1cc(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 2282035777 ZNBLXAAHUUHYNW-DOTOQJQBSA-N 460.384 2.191 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC[C@@H](CCNC(=O)OC(C)(C)C)C1 2282042444 HEVZTKJJVMIGQM-INIZCTEOSA-N 462.400 2.486 30 10 JEEE CC(C)(C)OC(=O)N1CCCO[C@@H](CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2282092084 LCAAIHXPEGXKES-KRWDZBQOSA-N 461.368 2.137 30 10 JEEE CO[C@H]1C[C@H](CNC(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)N(C(=O)OC(C)(C)C)C1 2282174793 SDZZGSPCJHDHHJ-MSOLQXFVSA-N 461.368 2.135 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)c3ccsc3B3OC(C)(C)C(C)(C)O3)C[C@@H]2[C@@H]1CO 2282484051 AERBEWRTKHLXMH-XIRDDKMYSA-N 478.420 2.347 30 10 JEEE Cn1cc(C(=O)N[C@H]2C[C@H]3C[C@H]2C[C@H]3NC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2282545143 HEEDOEIUMLLYBE-XUWVNRHRSA-N 460.384 2.141 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1CC(F)F 2282588363 GBIAUABYFXCJLL-ZDUSSCGKSA-N 470.326 2.426 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1C[C@@H]2NS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282827757 CWFLKOYMWCJNGC-HFTRVMKXSA-N 479.408 2.057 30 10 JEEE COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C 2283953837 YADSATWXASHARG-WBVHZDCISA-N 462.352 2.303 30 10 JEEE C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2cc(B3OC(C)(C)C(C)(C)O3)ccc2C1 2283963075 IAVKYORWGWGCCR-DNVCBOLYSA-N 460.380 2.145 30 10 JEEE C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2c(cccc2B2OC(C)(C)C(C)(C)O2)C1 2283974318 UNUSOFHFIYAOPP-DNVCBOLYSA-N 460.380 2.145 30 10 JEEE C[C@H](OCc1ccccc1)[C@@H](NS(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284409794 NQTIHHQCNASXDU-OXJNMPFZSA-N 475.372 2.323 30 10 JEEE C[C@H](O)CN(CCNC(=O)OC(C)(C)C)C(=O)c1cccc(F)c1B1OC(C)(C)C(C)(C)O1 2285412859 JVYXPZNCJFNNLG-HNNXBMFYSA-N 466.359 2.473 30 10 JEEE CC1(C)OB(c2sccc2CS(=O)(=O)N2CCC[C@@H](NC(=O)C(F)(F)F)CC2)OC1(C)C 2286112348 NQWULOLDBIMZPC-CQSZACIVSA-N 496.382 2.410 30 10 JEEE COC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCc1c(F)cccc1B1OC(C)(C)C(C)(C)O1 2289659394 PMLLEAHFQGHGGR-GOSISDBHSA-N 466.359 2.323 30 10 JEEE C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)NCCc1c(F)cccc1B1OC(C)(C)C(C)(C)O1 2289660822 WVLFXUCDBGLPTM-KSSFIOAISA-N 466.359 2.058 30 10 JEEE COc1ccc(Cc2nnc(SCC(N)=O)n2N=Cc2ccccc2[N+](=O)[O-])cc1OC 2326736250 ZDIUGUDAQMWUQW-UHFFFAOYSA-N 456.484 2.254 30 10 JEEE COC(=O)C1=C(C)N/C(=C\c2ccc(CNS(=O)(=O)c3ccc(Br)cc3)o2)C1=O 19823722 MAFDGXIJCDETFS-SXGWCWSVSA-N 481.324 2.481 30 10 JEEE NC(=O)[C@H]1CCN(c2ccc(C#Cc3c(Cl)ccn(N4CCc5ccccc54)c3=O)cn2)C1 89209889 AGAZBONAMABACL-IBGZPJMESA-N 459.937 2.434 30 10 JEEE COc1ccc([C@H]2/C(=C(/O)c3cnc(C)nc3C)C(=O)C(=O)N2CCCN(C)C)cc1OC 102757001 ATEXPXQPPZIGNR-AGGMBTAESA-N 454.527 2.484 30 10 JEEE COc1ccc(Cl)cc1/C(O)=C1/C(=O)C(=O)N(CCN2CCOCC2)[C@H]1c1cccnc1 102758327 RHLSFPAWZNCNEM-LCPUNJGISA-N 457.914 2.498 30 10 JEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(Br)s2)c(=O)n1-c1ccccc1C#N 604002682 INXRDYUHSBRKIV-UHFFFAOYSA-N 497.399 2.400 30 10 JEEE N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccc(Cl)nc1 729672912 OBOBVJRFXJIGOL-UHFFFAOYSA-N 490.976 2.157 30 10 JEEE Cc1nn(C(C)C)c(C)c1C=NNc1nnc(SCC(=O)NCc2ccc(F)cc2)n1N 1084448661 XGRHHNOHUAYLLP-UHFFFAOYSA-N 459.555 2.380 30 10 JEEE C[C@@H](CC(=O)N1CCN(Cc2ccccc2)C[C@@H](C)C1)/N=C1/NS(=O)(=O)c2ccccc21 1140895500 BTJZCTPWMIPSAZ-MOPGFXCFSA-N 454.596 2.484 30 10 JEEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc(N2CCCC2=O)cn1 1151537011 FBTPKPTUADELQG-QGZVFWFLSA-N 455.540 2.300 30 10 JEEE CCOc1ccc(S(=O)(=O)N2CCN(C(=O)Nc3cccc(C#N)n3)CC2)cc1OCC 1206772689 ALOAQKSZPRATFV-UHFFFAOYSA-N 459.528 2.289 30 10 JEEE C#CCOc1ccc(CNC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 1273109758 BWLWTMGFHYSBAR-NRFANRHFSA-N 457.508 2.466 30 10 JEEE C#CCCCCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1286314812 HJYNACNOQRPSRS-MRXNPFEDSA-N 483.436 2.368 30 10 JEEE C#CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1C[C@H](C)O[C@H](COC)C1 1286349460 XKFFZMCRBYNRAV-ROUUACIJSA-N 450.543 2.328 30 10 JEEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1cc(OC)c(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1286383624 DMEZAJBNEUKVJT-WMZOPIPTSA-N 476.599 2.492 30 10 JEEE C#CCN(c1nnc(CC)n1CCC1CCN(CC(F)(F)F)CC1)[C@H]1CCS(=O)(=O)C1 1286391926 FZNSPRAIRZQADR-KRWDZBQOSA-N 461.554 2.132 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCCC(F)(F)F)CC1 1286474083 ZUWJLRYFECQQQN-UHFFFAOYSA-N 484.548 2.293 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[C@H]2CCOC2)CC1 1286487224 DUARZGRHNSJUGM-HNNXBMFYSA-N 475.391 2.428 30 10 JEEE C#CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1286509184 NOOZRMPZFVIPKB-FQEVSTJZSA-N 491.639 2.065 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H]1CCN(Cc2ccccc2)C1 1286509726 XFARJPQODWQXRU-SFTDATJTSA-N 473.668 2.257 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCO[C@H](CNC(C)=O)C1 1286547032 MOHRFFQEWMHQAW-MZYLBHOOSA-N 496.612 2.470 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCCO[C@@H]2C(C)C)CC1 1286645778 IEZRUCFWWCKNKR-HSALFYBXSA-N 467.636 2.219 30 10 JEEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1286785423 FHLHAJCYJITLTH-SWLSCSKDSA-N 477.447 2.052 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOc1cccc(C(F)(F)F)n1 1300310070 WMLYTVPRSZANFA-KGLIPLIRSA-N 457.478 2.131 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3csc(C)n3)n2CCNC(=O)C(C)C)c1 1300334232 IYZVQNXMAYPPLU-UHFFFAOYSA-N 479.610 2.462 30 10 JEEE C#CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(c2cnn(C)c2)CC1 1300365188 QZMJRJWRTJVUKI-OAQYLSRUSA-N 498.632 2.450 30 10 JEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCOC1CCOCC1 1300513654 YJCMBNYOLSKEEA-UHFFFAOYSA-N 484.626 2.205 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2Cc2nccc(C(F)F)n2)CC1 1300691115 ONJZWCXVARHEMK-UHFFFAOYSA-N 469.496 2.493 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2Cc2nnc(C)s2)CC1 1300718818 GCALEGLCNXEABW-UHFFFAOYSA-N 451.556 2.128 30 10 JEEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1300863636 QIRGPXLDZOADLJ-XIRDDKMYSA-N 467.368 2.222 30 10 JEEE C=C(C)Cn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1300929005 VGNKKFRMYTYTLM-FUHWJXTLSA-N 472.977 2.411 30 10 JEEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)OC)CC1 1300952521 XIRHPSRZLMAFSL-INIZCTEOSA-N 450.540 2.051 30 10 JEEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(OC2CCCC2)CC1 1301043921 FMINMQJNYGFKGJ-GOSISDBHSA-N 474.027 2.292 30 10 JEEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1301075372 DOXRSGONRMUYKQ-FQEVSTJZSA-N 452.964 2.313 30 10 JEEE C=CCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(c2ccnc(C)n2)CC1 1301240926 IAKHEALEPQKNLP-UHFFFAOYSA-N 497.625 2.366 30 10 JEEE C=CCCOCCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1301262682 YSFKLGCEZCNJLD-UFYCRDLUSA-N 450.580 2.369 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1nccnc1C 1301410600 HWQNRMZHQKLYHN-GOSISDBHSA-N 456.572 2.349 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(=O)OCC)CC1 1301482256 TVYDARZRKHUDDS-MRXNPFEDSA-N 460.510 2.138 30 10 JEEE C=CCOc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(=C)CC2)cc1 1301527352 XNMODHLWPVQKJZ-OAQYLSRUSA-N 473.599 2.381 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC(Cn2nc(C)cc2C)CC1 1301578786 IVTFYBIOBCGUNF-UHFFFAOYSA-N 472.619 2.009 30 10 JEEE N#Cc1ccc(N2CCN(CC(=O)N3CCN([C@H](C#N)c4cccs4)CC3)CC2)c(F)c1 1307448932 FKKFPMFHPYIZAV-OAQYLSRUSA-N 452.559 2.290 30 10 JEEE COCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1316067769 AAVJUDLCFMXANP-JXQFQVJHSA-N 454.575 2.168 30 10 JEEE C#CCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1358906566 MBBZNGDLJHSSSP-UHFFFAOYSA-N 467.530 2.231 30 10 JEEE C#CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(CC(N)=O)CC1 1358910359 MJYKWXZDOJKTKT-UHFFFAOYSA-N 457.604 2.134 30 10 JEEE C#CCCCCn1c(COCC)nnc1N1CCN(CC(=O)N2CCc3ccccc32)CC1 1358917549 UNQABUYEIWBAAB-UHFFFAOYSA-N 450.587 2.329 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCN1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1358958048 GMZOSKRIQMYZLK-GHTZIAJQSA-N 486.598 2.212 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCC(=O)N1CCCCCC1 1358971690 FSCMHKVVZHAQSL-UHFFFAOYSA-N 467.595 2.214 30 10 JEEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H](CC(N)=O)C1 1359050278 MHFIALOJAHRBSA-CYBMUJFWSA-N 451.394 2.494 30 10 JEEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)c2c(F)cccc2F)CC1 1359126561 SPMLHQCHKCEDKW-UHFFFAOYSA-N 476.528 2.250 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCOCC2(CCC2)C1 1359293415 PHCOPGALHBUBNH-UHFFFAOYSA-N 463.380 2.355 30 10 JEEE C=CCNC(=O)Cn1c(N(C)CCc2nccs2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1359305353 AWPUOEPVELFOTH-IYBDPMFKSA-N 475.619 2.486 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCO[C@](C)(c2ccccc2)C1 1359330881 GHPQEXOWYGXZRM-QFIPXVFZSA-N 456.572 2.031 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1359332530 ZTBLNTVBIHWBJM-WOJBJXKFSA-N 477.635 2.245 30 10 JEEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 1359342179 QWHXHUADHSIHGN-CVEARBPZSA-N 450.609 2.499 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@](C)(O)[C@@H](C)CC)c1 1507548490 SPBQTWVZSZINDT-BVZFJXPGSA-N 466.586 2.367 30 10 JEEE C#CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)CC[C@@H]2C1 1507566966 JLTPETVZZVZGAR-RTBURBONSA-N 472.590 2.201 30 10 JEEE C#CCN(c1nnc(C(C)C)n1C[C@H](c1cccc(OC)c1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1507622063 FLOCTHVVQZMTBU-TZIWHRDSSA-N 459.616 2.340 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H](OC)c1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 1507631027 AZRAYEXBBGLXHB-HOJAQTOUSA-N 479.002 2.450 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCN1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1507632880 BFFFZESGABTZCX-SIKLNZKXSA-N 473.618 2.367 30 10 JEEE C#CCN(c1nnc(C2CCCC2)n1CC1(COC)CCOCC1)[C@H]1CCS(=O)(=O)C1 1507632914 QSYMUMYKASKPDG-IBGZPJMESA-N 450.605 2.006 30 10 JEEE C#CCN(c1nnc(CSc2ccc(C)cc2)n1C[C@H](F)COC)[C@@H]1CCS(=O)(=O)C1 1507638521 RSRSNBBWGPDTQD-ZWKOTPCHSA-N 466.604 2.490 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCO3)n2C[C@H]2CSCCS2)n1 1507717626 XCQQUUZBYCSIBX-RBUKOAKNSA-N 462.645 2.461 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCc2csc(CC)n2)CC1 1507734126 RRVDLWZDNXCKPQ-UHFFFAOYSA-N 492.609 2.153 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2CC2(COC)CCOCC2)CC1 1507735052 INFYLAKTJHFGIQ-UHFFFAOYSA-N 481.597 2.363 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2Cc2cc(C)no2)CC1 1507742482 JGJKBAWCPMFXDO-UHFFFAOYSA-N 454.481 2.458 30 10 JEEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1507748399 QKXYUAJEMFDKLI-UHFFFAOYSA-N 493.655 2.189 30 10 JEEE C#CCSCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@H](C)CC(N)=O 1507756200 YMAVNOHXUMKFNC-IAGOWNOFSA-N 464.636 2.459 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)c1ccccc1 1507772881 NUQSQXYVJRTMSH-JXHRLWIKSA-N 457.600 2.407 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N(CC)Cc1nc(O)c2sccc2n1 1508142141 QVJLOQCLRGYETM-AWEZNQCLSA-N 478.600 2.120 30 10 JEEE CC(C)(C)[S@@](=O)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@](F)(C#N)C1 1508697596 DAQDWPGXQJUNCI-WEZXKFLESA-N 481.623 2.227 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCO[C@@H]1CCCC[C@H]1C 1509683118 GZKPZTOHQVSRHH-SVFBPWRDSA-N 495.632 2.388 30 10 JEEE Cc1nc(C)c(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(NS(C)(=O)=O)CC2)s1 1511491984 DMKHEIBRYVVHQE-UHFFFAOYSA-N 471.612 2.456 30 10 JEEE CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N[C@H]2CCc3cc(C#N)ccc32)o1 1524941230 ARTKAHCRHDBKJU-ZWKOTPCHSA-N 457.508 2.285 30 10 JEEE COC[C@@]1(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCN(C(=O)OC(C)(C)C)C1 1538383187 CAEFCYBPRYERAB-NTKDMRAZSA-N 456.543 2.443 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCNS(=O)(=O)CC 1539015317 UDGCEGZWWJNTKA-ZWKOTPCHSA-N 482.651 2.180 30 10 JEEE C#CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCc2nn(C)c(=O)cc2C1 1539071104 MADNXWKDAFVZMG-HXUWFJFHSA-N 497.600 2.046 30 10 JEEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN(Cc2c(CC)nn(C)c2Cl)CC1 1539132646 PRRLBVYJSXASLI-UHFFFAOYSA-N 473.025 2.085 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(F)(F)CNC(=O)OC(C)(C)C 1539250305 LOULSUSRRZQPHF-UHFFFAOYSA-N 497.510 2.154 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2nc(C)cs2)CC1 1539490301 APQXNUOJCHDSPY-UHFFFAOYSA-N 468.612 2.383 30 10 JEEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](c2ccccc2C)C1 1539517459 OBPVGDHPXSRVNZ-TZIWHRDSSA-N 489.667 2.280 30 10 JEEE C#CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1539530601 JTIHLAOZNJUVJQ-FGTMMUONSA-N 493.630 2.077 30 10 JEEE C=C(Br)Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)CCCS(C)(=O)=O 1539594163 GEXJYWJHEVNKQR-UHFFFAOYSA-N 481.376 2.373 30 10 JEEE C=CCC(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1539926048 GWYCBTLKEWRHSG-INIZCTEOSA-N 480.660 2.342 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccn2C)n1CCN1CCCS1(=O)=O 1540120063 BMJDVFRKFDFBOF-UHFFFAOYSA-N 465.583 2.383 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1540863056 OJOXWEACDRBNSM-DBVUQKKJSA-N 459.522 2.244 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N(C)CCc1cnccn1 1540867379 UKMOVHWRNZMMQO-UHFFFAOYSA-N 456.348 2.479 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](c2ccc(F)cc2)C1 1540897155 BYGIZBWJWXONFI-GOSISDBHSA-N 461.563 2.248 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCCC(C)(C)C1 1540898667 QQOPETLTYRZMPL-UHFFFAOYSA-N 495.671 2.423 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 1540900959 OKGOPSSBWLXKAN-IBGZPJMESA-N 486.642 2.416 30 10 JEEE CC(C)OC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCOC[C@@H]2C)CCO1 1541748037 CQNCMFRMSVYOCM-NZQKXSOJSA-N 484.601 2.080 30 10 JEEE C#CC[C@@]1(C(=O)N2CCC(CNC(=O)c3cnn(C)c3)CC2)CCCN1C(=O)OC(C)(C)C 1544723015 XWFPVDGLFFPQFQ-DEOSSOPVSA-N 457.575 2.182 30 10 JEEE CCO[C@@H](CCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1)C(C)C 1547836270 HVQWDHKYMMELOC-NRFANRHFSA-N 497.648 2.206 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)N2CC3CC2(CNC(=O)OC(C)(C)C)C3)ccc1F 1584505812 ZVMNFLDFYYCTOS-UHFFFAOYSA-N 453.536 2.419 30 10 JEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1CCN(c2ccc(Cl)cc2F)C1 1586840725 AYPBNXNUUJXCGD-CJNGLKHVSA-N 450.923 2.413 30 10 JEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1587765195 CGZKMNGXOFBRFE-JOCHJYFZSA-N 466.611 2.178 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1ccccc1CN1CC[C@@H](O)C1)[C@@H]1CCS(=O)(=O)C1 1588059040 IAEHGBYOGDJFBQ-DHIUTWEWSA-N 499.681 2.108 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCS(=O)(=O)C(C)(C)C 1588574464 ITKYNDDBUKELQR-UHFFFAOYSA-N 475.615 2.447 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(N(C)C(C)=O)CC1 1595659082 RRVOOBWZHSFCIK-HXUWFJFHSA-N 487.626 2.240 30 10 JEEE CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2(CS(C)(=O)=O)CC2)C1 1614909568 CWTNJFXMOQDYFT-HXUWFJFHSA-N 484.626 2.384 30 10 JEEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccnc(SC)c2)C1 1615972310 ANSZVECTUBBHST-IBGZPJMESA-N 483.623 2.500 30 10 JEEE CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCOc2ccc(Cl)cn2)CC1=O 1618487352 BJTSGTDAFASDNK-UHFFFAOYSA-N 467.917 2.135 30 10 JEEE COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1Cc1nc(C(F)(F)F)cs1 1619909623 DZXHUMJENJGFBK-UHFFFAOYSA-N 457.482 2.404 30 10 JEEE C=C1CC(C)(C(=O)N(C)CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)C1 1623919649 JZHPZCGIWMZKEK-UHFFFAOYSA-N 455.964 2.114 30 10 JEEE CC(C)(C)OC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 1628169168 ABBNJFOWXGSSEJ-FQEVSTJZSA-N 458.536 2.248 30 10 JEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)OC(C)(C)C 1639593012 ABABFUQXNKXCHY-UZLBHIALSA-N 457.552 2.294 30 10 JEEE C#CCN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1(C)CC1)[C@@H]1CCS(=O)(=O)C1 1689977691 AOVVVTPCWSHWMI-GOSISDBHSA-N 476.002 2.288 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H](C)Sc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1689978447 VVDVYASNCRITHI-ZWKOTPCHSA-N 475.640 2.224 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H](c1cccc(OC)c1)N(C)C)[C@H]1CCS(=O)(=O)C1 1689985771 AYTOHQWRMFWNEE-REWPJTCUSA-N 496.637 2.222 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCc1ccc(SC)cc1)[C@@H]1CCS(=O)(=O)C1 1689989435 FNIAZZBRTFADRM-RTBURBONSA-N 460.625 2.373 30 10 JEEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ccc(NC(C)=O)nc1 1690076788 BBVJXYUKBUPWDV-UHFFFAOYSA-N 459.558 2.313 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2CC2CCN(CC(F)(F)F)CC2)CC1 1690144445 ZYHNKSQLQQFUIR-UHFFFAOYSA-N 452.525 2.396 30 10 JEEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)C1CCC(NC(C)=O)CC1 1690170742 PCEWDBSNLHMCLZ-UHFFFAOYSA-N 493.637 2.442 30 10 JEEE C=C(C)COCCn1c(-c2ccc(C)o2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1690304908 QUUFYVJICAPNKK-UHFFFAOYSA-N 451.531 2.260 30 10 JEEE C=CCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N(C)CCN2C[C@H](C)O[C@H](C)C2)cc1 1690680103 IWWPFSTUBYFXPL-XQBPLPMBSA-N 468.602 2.388 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCN2CCCC2)C1 1690700422 SAYYEHHTPVNILF-PMACEKPBSA-N 476.622 2.464 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)Cc1cnn(C)c1 1690722864 YHRVLHXSIMEBHC-UHFFFAOYSA-N 466.571 2.102 30 10 JEEE CC(C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N(C)C1CCN(CCn2cccn2)CC1 1691512475 FXUBAMNTRSCAQE-UHFFFAOYSA-N 489.628 2.386 30 10 JEEE CC(C)NC(=O)Cn1c(Cc2ccncc2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1692562671 DPTHOHPLFDYCLT-UHFFFAOYSA-N 472.597 2.372 30 10 JEEE CC[C@@H]1CCC[C@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1694841150 HEBUHEZAUDICBC-QYZOEREBSA-N 450.609 2.177 30 10 JEEE O=C(Cn1c(COc2ccccc2F)nnc1N1CCO[C@H](C(F)(F)F)C1)NCC(F)(F)F 1698514095 BHBOEHGFHGOTOE-ZDUSSCGKSA-N 485.360 2.442 30 10 JEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCc1nnc(C)s1 1705544727 BYVMIAKJGABSBA-UHFFFAOYSA-N 459.601 2.058 30 10 JEEE C#CCN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1705550717 TZNCSHMLDURAIB-LJQANCHMSA-N 459.476 2.463 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccc(Cl)s1)[C@@H]1CCS(=O)(=O)C1 1705566262 MQKQLQCQYXTCNT-CQSZACIVSA-N 450.977 2.069 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1Cc1cc(C)no1)[C@@H]1CCS(=O)(=O)C1 1705571044 VHWLCYFWJRQQNX-OAHLLOKOSA-N 461.494 2.119 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC2CCN(CC(F)(F)F)CC2)CC1 1705635018 OZYUGULJZZRFOC-QHCPKHFHSA-N 498.594 2.348 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2c(C)nn(C)c2C)CC1 1705646022 NYVQXNDFQCSXPC-UHFFFAOYSA-N 456.554 2.181 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2Cc2cccnc2OC)CC1 1705650179 MOHNXQNCORUNSY-UHFFFAOYSA-N 465.583 2.052 30 10 JEEE C=C(Br)Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1705691783 OUTWDJLEOSWTKF-KDOFPFPSSA-N 464.412 2.205 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCNS(C)(=O)=O)CC1 1705772277 QTRZBKOPQRGGPP-INIZCTEOSA-N 454.597 2.056 30 10 JEEE C=CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)OC)CC1 1705819393 KPMCDILNCOYKHH-QGZVFWFLSA-N 464.567 2.441 30 10 JEEE C[C@]1(C#N)CCCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCS(=O)(=O)CC2CC2)C1 1706932229 FNPKTGBTERQTDJ-JOCHJYFZSA-N 491.639 2.303 30 10 JEEE Cn1cnc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](NC(=O)OC(C)(C)C)C2)n1 1711267910 CAMANTCKBOLXAC-SFHVURJKSA-N 463.546 2.487 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCc2nccs2)c1 1722310645 YBOKFUQARWFZAF-GOSISDBHSA-N 498.634 2.326 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H]1N(C)CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1722363991 DHQDEBIFCYSZFZ-RTWAWAEBSA-N 470.643 2.011 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1CCc1nccnc1C)[C@@H]1CCS(=O)(=O)C1 1722371519 XBWRNYHEPLOPSR-OAQYLSRUSA-N 494.621 2.442 30 10 JEEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1722394810 HAAQYFHFQYCXLI-IGKIAQTJSA-N 477.609 2.294 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2sccc2Br)CC1 1722429953 VPCUZXLIJCZFDA-UHFFFAOYSA-N 463.405 2.142 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCc2c(F)cccc2F)CC1 1722431259 IRTIMYICVRWMTE-UHFFFAOYSA-N 451.481 2.202 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2Cc2ccccc2OCCN(C)C)CC1 1722437082 PJSVCVVWRBHKDZ-HSZRJFAPSA-N 452.603 2.264 30 10 JEEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1722455960 YTICZAHMXGOROM-UHFFFAOYSA-N 493.655 2.189 30 10 JEEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1722524114 ODAAJIMEGQUYPK-KSZLIROESA-N 460.579 2.410 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1722537838 ROFNUBQPUYNNFR-QGZVFWFLSA-N 461.592 2.471 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1722693398 MIKXQOKYBFKEAD-QFBILLFUSA-N 476.528 2.006 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCS(C)(=O)=O)C1 1722718046 GKYNNMSEJBBAJJ-SFHVURJKSA-N 483.635 2.219 30 10 JEEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1722739913 YTKSXUTYJXTFLY-SJORKVTESA-N 453.609 2.431 30 10 JEEE CC(C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1)N1CCCC1 1723109539 DLJLHPVPOOCSJE-UGKGYDQZSA-N 485.658 2.407 30 10 JEEE C#CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCNC(=O)[C@@H]1CC 1740574096 JNYKVAUSAFFWPQ-ZWKOTPCHSA-N 460.579 2.105 30 10 JEEE C#CCCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)Nc2ccccc2CC)CC1 1740587370 HWOQLFARVJUBMQ-UHFFFAOYSA-N 460.586 2.415 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1740618606 JHLKYNLEBOZJQW-AEFFLSMTSA-N 466.510 2.352 30 10 JEEE C#CCN(c1nnc([C@H]2COc3ccccc3O2)n1CC(C)(C)CN(C)C)[C@H]1CCS(=O)(=O)C1 1740627168 OOLITFVZQRPDGL-GHTZIAJQSA-N 487.626 2.005 30 10 JEEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1c(C)nn(C)c1C 1740671454 HQFJQIDMPDWNBP-LJQANCHMSA-N 457.579 2.445 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2CC2(O)CCCC2)CC1 1740708705 ZRUXJOGYKANVBD-UHFFFAOYSA-N 451.571 2.171 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(OC)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1740765955 FDNXJNVXCGELEQ-WQNDALKBSA-N 486.569 2.207 30 10 JEEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2ccc3c(c2)OCCO3)CC1 1740786641 KKJUKEJHMMWKSY-UHFFFAOYSA-N 484.601 2.102 30 10 JEEE C=C(Cl)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1740804836 GCOCUJRBKFWDFK-OAHLLOKOSA-N 458.993 2.115 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCOc2ccccc2C)CC1 1740825137 JXXNUQNRKQTSMB-HXUWFJFHSA-N 461.588 2.155 30 10 JEEE C=CC[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)COC)CC1)c1ccccc1 1740854201 DNOLEMJPJQIXBP-PZJWPPBQSA-N 466.586 2.321 30 10 JEEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H]2CCC[C@@]1(C)C2 1741003289 QPXDZKMYXOTPAA-UWVAXJGDSA-N 455.650 2.299 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(c2cccc(OC)c2)CC1 1748751553 ISJIQQPNLOSGKA-JOCHJYFZSA-N 487.626 2.417 30 10 JEEE C#CCN(c1nnc(-c2cc(C)nc3ccccc23)n1CCC(=O)NCCC)[C@@H]1CCS(=O)(=O)C1 1748805000 MUGWTAKITJOQGL-LJQANCHMSA-N 494.621 2.345 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1CCNC(=O)OC(C)(C)C 1748965042 OWRSVVXMJKTCGJ-IBGZPJMESA-N 457.531 2.401 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)cn3C)n2CCN2CCCC2)CC1 1749003215 BJSXRJHQDRFAFW-UHFFFAOYSA-N 488.434 2.108 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Cl)c3)n2CC2(CS(C)(=O)=O)CC2)CC1 1749003594 OJIZFNSUJKAASQ-UHFFFAOYSA-N 490.029 2.389 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](c2cccc(F)c2)N(C)C)CC1 1749009194 GEAFBARNAAZPFC-IRLDBZIGSA-N 468.577 2.190 30 10 JEEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1749031899 MUXHPAWRKKSYBV-UHFFFAOYSA-N 488.614 2.300 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(OC)c(F)c1 1749038582 LHZUUBXGACJMOA-INIZCTEOSA-N 452.577 2.331 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1749115598 TYBVPSYDMRQPRK-YLJYHZDGSA-N 480.569 2.130 30 10 JEEE C=C1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2C[C@](C)(O)CCOC)CC1 1749288035 KONVBLWXKXFBEA-JOCHJYFZSA-N 462.620 2.491 30 10 JEEE C=CCCCn1c(C2CC2)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1749424214 DSCJOAKDFMSLTP-ZACQAIPSSA-N 451.593 2.248 30 10 JEEE COC[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCOCC2(C)C)C1 1749533285 FZKOGMGEBORTLG-HXUWFJFHSA-N 454.575 2.312 30 10 JEEE C=CCNC(=O)Cn1c(N2CC[C@H](Cc3ccc(F)cc3)C2)nnc1[C@@]1(OCC)CCOC1 1749682139 OQXQLVXMHPPOSJ-NTKDMRAZSA-N 457.550 2.441 30 10 JEEE C=CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(CC(C)C)C(=O)C1 1749752382 PDIINKNBRKNCLC-UHFFFAOYSA-N 481.626 2.416 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H](N1CCOCC1)C(F)(F)F 1760114296 KIPFZDJMFIHICH-RHSMWYFYSA-N 475.475 2.315 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2CC2([S@](C)=O)CCC2)c1 1760128862 VBQRESAIXJJFMJ-UPTQXZAWSA-N 455.584 2.139 30 10 JEEE C#CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1760144160 GITKWYCTVUJPNO-QFIPXVFZSA-N 477.613 2.303 30 10 JEEE C#CCCCn1c(N2CCN3C(=O)N(C)C[C@@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1760161563 JGAZYSRJBJSBRF-FGTMMUONSA-N 457.579 2.018 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@@H]1CCC[C@H]1OC)[C@@H]1CCS(=O)(=O)C1 1760190401 QEEPMVXYQWPEKW-QKNQBKEWSA-N 460.575 2.450 30 10 JEEE C#CCN(c1nnc(COc2ccccc2OCC)n1C[C@H]1CCCOC1)[C@H]1CCS(=O)(=O)C1 1760193345 XMFFGPQCJVQRRH-UXHICEINSA-N 488.610 2.309 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](c1cccc(C)c1)N1CCOCC1 1760217808 NFQSBPVTLIZHRK-XZOQPEGZSA-N 460.582 2.074 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2cccnc2OCC(F)F)CC1 1760256771 KQOOMLKABLYYPY-XMMPIXPASA-N 490.555 2.161 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCc2ccc(OC)c(OC)c2)CC1 1760264862 GXLZYLDCYMBPMH-REWPJTCUSA-N 469.586 2.017 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCc2c[nH]nc2C)CC1 1760266889 ADXFGHVEPQYQNR-UHFFFAOYSA-N 456.554 2.447 30 10 JEEE C=CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1760436851 IGTMYQQJNBYQAZ-KRWDZBQOSA-N 454.531 2.401 30 10 JEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC(F)F)c(F)c1 1760464722 NJSBLIQBRPROKN-MRXNPFEDSA-N 475.493 2.022 30 10 JEEE C=CCN(CCOC)c1nnc(-c2cccc(C)n2)n1C[C@]1(N2CCOCC2)CCSC1 1760503103 YYOLDUUMPSYKMS-HSZRJFAPSA-N 458.632 2.495 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 1760525794 RPMDGYCLDDZBFU-HXUWFJFHSA-N 452.481 2.096 30 10 JEEE C=C(C)Cn1c(COc2ccccc2OC)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1772543484 MQYJONJGBYKAJJ-PZJWPPBQSA-N 468.602 2.431 30 10 JEEE N#Cc1cccc(C(=O)N2CC[C@H](NC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)C2)c1 1858298158 GYRZMEPTXSSYNS-NRFANRHFSA-N 466.563 2.377 30 10 JEEE CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1ccc2c(c1)OCCO2 1862630730 ASWQCAOGHLWBFQ-NRFANRHFSA-N 452.463 2.326 30 10 JEEE C=CCN(CC=C)c1nc(NC(=O)COc2ccccc2CC)n([C@H]2CCS(=O)(=O)C2)n1 1870004995 SKZFYTLREWVUCH-SFHVURJKSA-N 459.572 2.396 30 10 JEEE COc1ccc(N2C[C@H](C(=O)Nc3c(C#N)nnn3-c3cc(OC)cc(OC)c3)CC2=O)cc1 1870159033 BQGQOJRYRUQTIR-CQSZACIVSA-N 462.466 2.156 30 10 JEEE CCN(CC)CC#CCNC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(Br)cc1 1890797405 WNPNTUDRBMBURL-LJQANCHMSA-N 470.433 2.454 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)NCCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2180971467 AHAWJBPEOAMTEM-LJQANCHMSA-N 460.380 2.280 30 10 JEEE Cc1sc(C(=O)NCC2(NC(=O)OC(C)(C)C)COC2)cc1B1OC(C)(C)C(C)(C)O1 2255611528 IMKVAFDSQUVPAO-UHFFFAOYSA-N 452.382 2.379 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@](CO)(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C1 2256625611 YYASSZVWUGVNKQ-FQEVSTJZSA-N 453.370 2.000 30 10 JEEE C[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2267366212 CICBMLWZBKNCQL-AAEUAGOBSA-N 482.355 2.267 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CNS(=O)(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)s3)[C@@H]2C1 2267375202 DGXSXMGGTGRLRY-QKDCVEJESA-N 484.449 2.439 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2ccsc2B2OC(C)(C)C(C)(C)O2)[C@@H]2COC[C@H]12 2267457311 OHTMHNKVZPCIMK-BZUAXINKSA-N 464.393 2.411 30 10 JEEE Cn1nc(C(=O)NC[C@@H]2C=CCN2C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2267503098 XUSWFYZPDFDCNR-ZDUSSCGKSA-N 466.775 2.278 30 10 JEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC2(CO)CN(C(=O)OC(C)(C)C)C2)c1C 2267510562 MRXRJOQSCUCQPW-UHFFFAOYSA-N 466.409 2.376 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]1CNS(=O)(=O)Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2267709254 YLORIXGUZZGBMG-FUHWJXTLSA-N 466.409 2.318 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](O)C[C@@H]1C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)s1 2268645291 FHYPDUBKAPAXKQ-GDBMZVCRSA-N 466.409 2.424 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@@]1(C)C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2268698590 BZNPBGHMVINJPK-NRFANRHFSA-N 467.397 2.085 30 10 JEEE CN(C[C@H](O)CN(C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1F)C(=O)OC(C)(C)C 2281788528 BZLCABTURYWAKB-MRXNPFEDSA-N 466.359 2.425 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@H]([S@@](C)(=O)=NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2281931368 SXXTWRKQUSKTCM-RPLXOIEJSA-N 482.412 2.346 30 10 JEEE Cc1cc(C(=O)NCCN2CCN(Cc3ccccc3)CC2)oc1B1OC(C)(C)C(C)(C)O1 2282063761 QHEMXMGLJJXRHQ-UHFFFAOYSA-N 453.392 2.435 30 10 JEEE CO[C@@H]1CN(C(=O)c2cccc(F)c2B2OC(C)(C)C(C)(C)O2)C[C@@H]1NC(=O)OC(C)(C)C 2282412294 NXYRVFXCTCTQAU-DLBZAZTESA-N 464.343 2.489 30 10 JEEE CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](CNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2282579830 KKJYAOYBFAJJAA-CYBMUJFWSA-N 470.326 2.331 30 10 JEEE Cc1cc(C(=O)NCC2(CCO)CN(C(=O)OC(C)(C)C)C2)oc1B1OC(C)(C)C(C)(C)O1 2282586525 ZOVAAWNRFYTVAZ-UHFFFAOYSA-N 464.368 2.237 30 10 JEEE CC(C)(C)OC(=O)N1[C@H](CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)C[C@H]2OCC[C@H]21 2282626831 JIIMBBKAQFADMT-ZMSDIMECSA-N 462.352 2.476 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H](O)C1 2282673672 ZKQLZMSZOYFGIQ-GOSISDBHSA-N 460.380 2.348 30 10 JEEE CN(C1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12)S(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2282858876 DPXAWEUKIMFVOR-QZTJIDSGSA-N 478.420 2.472 30 10 JEEE CN(C[C@H](O)COCc1ccccc1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(O)cc1O 2282988877 XJGPTZIOQZGMKX-KRWDZBQOSA-N 457.332 2.047 30 10 JEEE C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C1 2283967820 HESTWBHJOYWHOY-HNAYVOBHSA-N 460.380 2.145 30 10 JEEE COC(=O)[C@@H](CS(=O)(=O)Nc1cc(Cl)ccc1C#N)NC(=O)OCc1ccccc1 2286026113 IMFYXTXNWYRHAY-QGZVFWFLSA-N 451.888 2.421 30 10 JEEE COc1ccc([C@H]2C(=C(O)c3ccco3)C(=O)C(=O)N2CCCN2CCOCC2)c(OC)c1 2297059916 QMLZKLIPWOWJRR-NRFANRHFSA-N 456.495 2.441 30 10 JEEE Cn1nc(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2336902725 FJSXGGCCIZNSOL-OAHLLOKOSA-N 450.389 2.389 30 10 JEEE CNC(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)[C@H]1C[C@@H](B2OC(C)(C)C(C)(C)O2)C1 2369308903 ZSRDCJYUWPFZGK-IXDOHACOSA-N 465.400 2.443 30 10 JEEE CC1=CC(=O)/C(=C\NC(=S)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)C(=O)O1 105606676 PQTYMEQOKWVEKY-UKTHLTGXSA-N 450.523 2.144 30 10 JEEE CNCCN1C(=O)[C@H]2[C@H](C1=O)[C@](Cc1ccc3ccccc3c1)(C(=O)O)N[C@H]2c1ccccc1C#N 247956836 DBBLPGLIBFRENK-NLJXWPIHSA-N 482.540 2.242 30 10 JEEE COCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1-c1ccc(C)c(F)c1 514685002 FPWSTTZMALBJLO-UHFFFAOYSA-N 451.523 2.002 30 10 JEEE CSc1nc(O)c(C(=O)N2CCN(CC(=O)N3CCCc4ccccc43)CC2)cc1C#N 609433452 UWRPIRFAFVJRKN-UHFFFAOYSA-N 451.552 2.118 30 10 JEEE C#CCN(CC(=O)O)C(=O)[C@@H](CCOC)NC(=O)OCC1c2ccccc2-c2ccccc21 757321671 LEMILCOTEYBLBE-JOCHJYFZSA-N 450.491 2.477 30 10 JEEE O=C(O)C#CCNC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)OCC1c2ccccc2-c2ccccc21 757542566 XGHZKFABWHAJHL-JOCHJYFZSA-N 458.474 2.064 30 10 JEEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)CCN1C(=O)[C@H]2CCCC[C@H]2C1=O 911564866 DRGMUUAHYGDUHX-OKZBNKHCSA-N 455.511 2.439 30 10 JEEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCC[C@@H](C(=O)N[C@@H]4CCC[C@@H](O)C4)C3)n[nH]2)c1C 1154356069 PYRPTGLERZTDHO-GUDVDZBRSA-N 454.575 2.348 30 10 JEEE C#CCn1ccc(CN(CCOC)C(=O)NC[C@@H](c2cccc(Cl)c2)N2CCOCC2)n1 1221687999 NKNYTVAZLFAKJS-QFIPXVFZSA-N 459.978 2.401 30 10 JEEE COC(=O)COc1ccc(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c2ccccc12 1266194168 ACJNDBOVCADSRY-UHFFFAOYSA-N 453.476 2.069 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCCc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1286381404 MLKUPHDOSKUIBH-FQEVSTJZSA-N 496.568 2.324 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCCCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1286388183 LQYKYUMXFKOZTE-QFIPXVFZSA-N 477.594 2.429 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC(=O)NC2CCCCC2)CC1 1286469754 KOYKWRQBHSEGAH-UHFFFAOYSA-N 498.031 2.066 30 10 JEEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2CCCN2CCCO[C@H](C)C2)CC1 1286484903 PYNRSRVWHKFMLJ-HSZRJFAPSA-N 466.630 2.422 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@@H](CC(C)C)NC(=O)OCC)CC1 1286489920 HYIVYTDSYBJFFB-HXUWFJFHSA-N 483.617 2.410 30 10 JEEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1286500829 ZZCATGRKRJYTOZ-JTSKRJEESA-N 476.624 2.099 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H]1CN(CC)c2ccccc2O1 1286608900 VGHMQUAJCRBRAK-VQTJNVASSA-N 489.642 2.497 30 10 JEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(c2nccs2)CC1 1286687153 GVXRPEMHZBWOEE-SFHVURJKSA-N 495.675 2.141 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 1286781778 AEGJSYROIKGEDT-LBPRGKRZSA-N 490.449 2.331 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1286781973 GMTMTGKSRYVTDZ-OLZOCXBDSA-N 479.404 2.319 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1286792036 KOXXDDFEXNHQCH-RXVVDRJESA-N 489.020 2.360 30 10 JEEE C=CCNC(=O)Cn1c(N2CCN(c3ccccc3F)C[C@@H]2C)nnc1[C@]1(OCC)CCOC1 1286793623 ICKLPCLEJYPSIC-UUOWRZLLSA-N 472.565 2.087 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CCCN2C2CCCCC2)C1 1286800545 MSEXVUQDPIDYQD-HMXCVIKNSA-N 480.679 2.467 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2cc(C)cc(C)c2)C1 1286809232 HMZDTPKTILYYSQ-FGZHOGPDSA-N 489.642 2.252 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(CN2CCC(O)CC2)cc1 1300330412 YFCLHBLNUGNLFL-APTRMMRNSA-N 467.614 2.465 30 10 JEEE C#CCN(c1nnc(-c2ccccc2F)n1CCCOC[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1300486813 BNDYTQIWFKVEGX-RTBURBONSA-N 476.574 2.297 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1ccc(OCC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1300495573 INVCLMFAXOCPJC-VQTJNVASSA-N 488.610 2.254 30 10 JEEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@H](CC)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1300501760 NJBBGXIVBACKRJ-FPOVZHCZSA-N 469.611 2.221 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1CC[C@H](N1CCOCC1)C(F)(F)F 1300595485 CCCJDTYPAGOIPJ-UFYCRDLUSA-N 483.535 2.118 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1oc2ccccc2c1OC 1300672100 VYBMMRDFUWBYFC-INIZCTEOSA-N 458.540 2.069 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)[C@H](C)CC(N)=O 1300879113 ACSAVDABUJNLSI-YVHKJVDXSA-N 479.585 2.356 30 10 JEEE C=C(C)COCCn1c(N2CC[C@H](S(C)(=O)=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1301001929 PYYACZFTXPFZTQ-KSZLIROESA-N 483.635 2.265 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1CCC(O)CC1 1301339250 KICCWXYCBMZOFP-JOCHJYFZSA-N 498.653 2.091 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1301577309 HQGXCHRWRPONKG-QHCPKHFHSA-N 476.599 2.329 30 10 JEEE CC(=O)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@@H](C(F)F)N2CCOCC2)CC1 1301697117 VQQGDNGOYBPYJL-NRFANRHFSA-N 487.555 2.231 30 10 JEEE COC[C@H](Cn1c(-c2ccccc2F)nnc1N1CCN(c2ccc(C#N)cn2)CC1)OC 1315796681 BHMZQPMSFFQFCK-SFHVURJKSA-N 451.506 2.339 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCCN(CC)S(C)(=O)=O 1358876062 BLLUVMMBVXKTJS-KRWDZBQOSA-N 455.588 2.465 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1CC(C)(C)N1CCOCC1 1358992383 KBRAOZSFAOBWIY-UHFFFAOYSA-N 459.554 2.168 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C(=O)COC)CC1 1359096233 YKHYWNWEUMBIEH-AUSIDOKSSA-N 485.585 2.239 30 10 JEEE C=C(C)Cn1c(N2CCC(Oc3ccnc(C(N)=O)c3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1359124723 AISKDEFBVXUKBL-DEOSSOPVSA-N 470.574 2.437 30 10 JEEE C=C(C)COCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1359126022 BQRPOQKEBDIQAL-QHCPKHFHSA-N 472.977 2.313 30 10 JEEE C=C1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@]2(O)CCO[C@H]2C)CC1 1359165839 YHJYBYLBBFOPSH-BSRJHKFKSA-N 463.579 2.283 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(S(C)(=O)=O)CC1 1359189736 SYDYCBREMHBRMD-IBGZPJMESA-N 461.588 2.475 30 10 JEEE C=CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@H](CNC(C)=O)C1 1359343768 ARGVSOXZJVSLRE-MRXNPFEDSA-N 451.543 2.408 30 10 JEEE C#C[C@H](CC)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 1467771654 TZIIMJCBAZBDFQ-IIBYNOLFSA-N 454.508 2.494 30 10 JEEE C[C@@H]1CN(c2ccc(Cl)c(F)c2)CCN1C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1468659565 IAFWDNIJKZCPBQ-CYBMUJFWSA-N 450.923 2.255 30 10 JEEE Cc1ccc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@@H](CNS(C)(=O)=O)C2)cn1 1492200297 ABSLTOYUENLVNU-FQEVSTJZSA-N 495.609 2.246 30 10 JEEE CS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1505134552 HZEVEMCACJSBMC-KRWDZBQOSA-N 487.504 2.321 30 10 JEEE C#CCCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCN(CC(=O)NCCOC)CC1 1507577459 QAJXBNJMUVZNKF-LJQANCHMSA-N 484.670 2.429 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1507627203 IZLNTRNFPRCMSI-PKOBYXMFSA-N 476.599 2.403 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCc1ccn(C)n1 1507710413 GCFNHWCGRMKVMS-IBGZPJMESA-N 471.606 2.455 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2CCCN2C[C@@H](C)O[C@H](C)C2)CC1 1507733152 YIOWJZNHWALONM-FGZHOGPDSA-N 482.629 2.120 30 10 JEEE C=C(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1507828427 DIPKQRDNPGHTRW-UHFFFAOYSA-N 454.575 2.283 30 10 JEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1N1CCCCC1 1507980026 DTXVYDVXFVGAMP-OAQYLSRUSA-N 474.631 2.272 30 10 JEEE C=CCN(Cc1cccs1)c1nnc(-c2cnn(C)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1508007157 UCCYPLQBIQUTNG-QGZVFWFLSA-N 461.617 2.357 30 10 JEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)Cc1ccc(OC)cc1 1508059774 YYJUJQCYVQWKBI-YLJYHZDGSA-N 463.604 2.121 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ccc(C(C)=O)cc2F)CC1 1508089930 KVXSUPRXJUMQRU-NRFANRHFSA-N 470.549 2.490 30 10 JEEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCS[C@@H](C(C)C)C1 1508091396 UGUHDEJWYUKLFX-LJQANCHMSA-N 470.647 2.332 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CC[C@](C)(C(=O)NC)C1 1508136044 QYXRSOZJEVWTGC-FQEVSTJZSA-N 451.980 2.162 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2Cc2c(CC)noc2C)c1 1539042556 IDSROEHWQNFFQO-FQEVSTJZSA-N 461.526 2.193 30 10 JEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)Nc1cc(F)cc(F)c1 1539072180 MMYJLLNNHFUDOE-HNNXBMFYSA-N 465.526 2.337 30 10 JEEE C#CCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1539109454 PQIWPEWDVICUMO-UHFFFAOYSA-N 459.572 2.338 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@]1(O)CCOC1)[C@H]1CCS(=O)(=O)C1 1539211323 HPMHPNKXJNHSHK-MGPUTAFESA-N 485.393 2.030 30 10 JEEE C#CCN(c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1539216180 ORSYBXVYLJQNSI-SJLPKXTDSA-N 455.540 2.262 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1ccc(OC(C)C)nc1)[C@@H]1CCS(=O)(=O)C1 1539225249 MIUNANYTDHYJEP-OAQYLSRUSA-N 480.594 2.121 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1cc(F)ccc1F)[C@H]1CCS(=O)(=O)C1 1539230761 QFAQQDBWGPKBAQ-IBGZPJMESA-N 474.537 2.093 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cc(Br)c[nH]3)n2CC2(O)CC2)n1 1539424466 QFNAPQKJNCGWDA-UHFFFAOYSA-N 474.363 2.043 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CC2CCN(C(C)=O)CC2)CC1 1539461907 MLIALBMNJJLJJC-UHFFFAOYSA-N 464.614 2.488 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2cccc(C(=O)N(C)C)c2)CC1 1539848183 MOSIQJBCFNSCJG-HXUWFJFHSA-N 457.600 2.281 30 10 JEEE C=CCC(C)(C)Cn1c(COCC)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1539928534 CTLWOGCLEWVCKM-GOSISDBHSA-N 455.625 2.048 30 10 JEEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)Cc2cccc(OC)c2)CC1 1539998922 SMALWIGNCDEKJY-FQEVSTJZSA-N 452.559 2.095 30 10 JEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@](C)(c2ccccc2)C1 1540004702 DTPHNIMHQPPDHG-NFBKMPQASA-N 475.615 2.329 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccco1 1540128524 NCQMQGWHIGLVOT-NRFANRHFSA-N 482.566 2.317 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCS(=O)(=O)C1 1540147099 NHIITWPQJNWUQP-SJORKVTESA-N 484.669 2.259 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(c2ccc(C(C)=O)cc2F)CC1 1540868905 VYZOAIFTTLBVKR-UHFFFAOYSA-N 463.517 2.311 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1540872322 KSSJWSVXAWRCNU-UHFFFAOYSA-N 475.475 2.415 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1540905457 WJMQNMITJPTUHW-ZBFHGGJFSA-N 459.494 2.021 30 10 JEEE C=CCSCCn1c(Cc2ccncc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1540919356 OQIASOVHOQZHAZ-UHFFFAOYSA-N 463.615 2.423 30 10 JEEE CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cccc(OCC)n2)CC1 1547250392 FFZKVXCZGTTWOH-UHFFFAOYSA-N 474.569 2.463 30 10 JEEE CS(=O)(=O)N1CC2(CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)C[C@@H]1C(=O)NC1CC1 1548379960 LRXTURKCEKIHEX-GOSISDBHSA-N 470.517 2.476 30 10 JEEE C#C[C@H](CO)NC(=O)[C@@H]1CCC(=O)N(c2ccc(OC)cc2)[C@H]1c1ccc(OC)c(OC)c1 1569718030 RLEYVUOKAULPLW-PWAGRJGVSA-N 452.507 2.307 30 10 JEEE N#Cc1ccc(NC(=O)c2cc(O)nc3ccc(S(=O)(=O)N4CCOCC4)cc23)cc1F 1583075715 FKHIBEIYGKALKA-UHFFFAOYSA-N 456.455 2.224 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)(C)C)n2C[C@H]2CC[C@]3(CCOC3)O2)n1 1588724199 VDXXVUCTZFZTDI-HYBUGGRVSA-N 456.591 2.396 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H]2[C@@H](C)CCN2C(=O)OC(C)(C)C)CC1 1588812491 RTVQUHCJMBWDMG-ZCNNSNEGSA-N 458.607 2.183 30 10 JEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CCOc2ccccc2Cl)CC1 1589059025 ABQPPJZAUCNBPI-IBGZPJMESA-N 489.045 2.450 30 10 JEEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 1593636916 USDZGJLAWMGDFJ-CMKODMSKSA-N 461.636 2.009 30 10 JEEE C=C(Cl)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1593884721 JTCRGYOUSUVYRC-HZPDHXFCSA-N 490.026 2.352 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C)[C@H](OC)C1 1595648794 INQPWLWTPSQUDP-FUHIMQAGSA-N 463.604 2.363 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C2CC(C(C)(C)C)C2)C1 1595729436 MLGXLIWCDUSMMY-WZOJCFFYSA-N 467.636 2.390 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1595812710 ZOBQORBHGHTPPW-HXUWFJFHSA-N 455.588 2.211 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2Cc3ccccc3O[C@@H](C)C2)nnc1[C@@]1(OCC)CCOC1 1595831789 WLGCMIBLVCCOEG-FDDCHVKYSA-N 476.599 2.319 30 10 JEEE C[C@@H]1SCCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N2CCOCC2)[C@H]1C 1613038466 FIMHWTRETMBNTQ-ROUUACIJSA-N 470.599 2.308 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1689851458 RDIGEQWPCSSSEG-KSZLIROESA-N 465.620 2.285 30 10 JEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2ccccc2C)C1 1689892936 QCDHQLARGSWHNW-FCHUYYIVSA-N 487.626 2.301 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H](c1ccco1)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1689990774 ROONESDSYWYECO-VAMGGRTRSA-N 475.615 2.085 30 10 JEEE C#CCN(c1nnc(Cn2ccc3ccccc32)n1CCC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1689993998 OYEVVNPUBHNJBC-LJQANCHMSA-N 455.584 2.069 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1Cc1ccc(N(C)C)nc1)[C@@H]1CCS(=O)(=O)C1 1689994304 VWVFWYIHPLQACH-LJQANCHMSA-N 470.624 2.066 30 10 JEEE C#CCN(CC#CC)c1nnc(Cc2c(F)cccc2F)n1C[C@H]1CC(=O)N(CCOC)C1 1690048975 VFRFQEOVKYLOCH-SFHVURJKSA-N 455.509 2.105 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 1690113678 QHWKRWJGPFZWOD-CJFMBICVSA-N 488.633 2.085 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCN2CCCC2)CC1 1690140377 WZNQHVTXJRKIAQ-UHFFFAOYSA-N 466.586 2.024 30 10 JEEE C=C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC2CCS(=O)(=O)CC2)CC1 1690367663 XFYQDHRIXGNHIE-UHFFFAOYSA-N 493.655 2.177 30 10 JEEE C=CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1690632671 JSIYZXUGAMQUDW-OAQYLSRUSA-N 455.563 2.271 30 10 JEEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCN(C(=O)Cc2cccc(OC)c2)CC1 1690669753 OBENMEPZFNERQL-UHFFFAOYSA-N 466.586 2.138 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC(Oc2ccc(C)cc2)CC1 1690714020 CBRXBCYXMBMZQR-UHFFFAOYSA-N 475.615 2.373 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](C)C1 1690723872 CHPNOGFGIIHDQV-MSOLQXFVSA-N 483.635 2.424 30 10 JEEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C(C)C)C1 1690747098 SOMCBSQWENEVQY-ROUUACIJSA-N 457.666 2.403 30 10 JEEE CC1CCN(CCn2c(C(=O)NC(C)C)nnc2N2CCN(c3ccccc3C#N)CC2)CC1 1693740507 HSVNTLSECPJBCP-UHFFFAOYSA-N 464.618 2.346 30 10 JEEE CCCN(C)C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(C(N)=O)CCOCC2)C1 1695290269 DIQXUVODYPRMED-FQEVSTJZSA-N 465.602 2.267 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H](C)c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1705566771 RATOCZQUQJAYOV-VQIMIIECSA-N 454.531 2.305 30 10 JEEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccnc(Oc2ccccc2F)c1 1705573735 MTSNXFYIMRHJHD-KRWDZBQOSA-N 482.541 2.336 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(Br)c2)n1CCS(C)(=O)=O 1705593179 IZWOYTSAIYOSEZ-UHFFFAOYSA-N 465.373 2.224 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@H](C)N1CCOCC1 1705595939 MAVFBOWPGIMSFO-NRFANRHFSA-N 487.608 2.420 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(C(N)=O)CCCC1 1705620167 MRKJHOSSHPINOO-SFHVURJKSA-N 473.574 2.005 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CC[C@H](CO)O1 1705621146 SYTHTMGNVGSWET-UVUJQTEASA-N 458.534 2.321 30 10 JEEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CC(C)(C)N2CCC(OC)CC2)CC1 1705640974 LWESOUHVOQNQMW-UHFFFAOYSA-N 471.675 2.278 30 10 JEEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)c2ccccc2C)CC1 1705725525 GBUJEVYEZNVKMF-GOSISDBHSA-N 457.600 2.464 30 10 JEEE C=C(Cl)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1705755751 XWIUVUPSSQPLLJ-GVDBMIGSSA-N 480.997 2.396 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1705792077 LVRIDPLVUHNSSS-PGRDOPGGSA-N 451.637 2.084 30 10 JEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2cccc(F)c2)C1 1705829898 FNXNNMJOYIUDPH-ICSRJNTNSA-N 464.563 2.490 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCC3(CC2)C[C@H]3C(=O)NCC2CC2)nnc1C(C)(C)C 1705938837 KWEQFNJIDZPEIY-SFHVURJKSA-N 463.648 2.309 30 10 JEEE CC(C)N(C)CC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)N(C)C)CC1 1706546724 HYPUHQGVEANCCX-UHFFFAOYSA-N 473.647 2.265 30 10 JEEE CC(C)N(C)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1706553977 ANARCAGQIKKIDP-OAQYLSRUSA-N 451.575 2.489 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCCN(c3ccccc3C#N)CC2)n1C[C@@]1(N(C)C)CCSC1 1706617770 CYGMILATTKCEAK-VWLOTQADSA-N 496.685 2.442 30 10 JEEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCS(C)(=O)=O)CC2(CCOCC2)O1 1708182285 HAYUFURTYBNHNU-QGZVFWFLSA-N 459.572 2.026 30 10 JEEE CCN1CCN(CCCn2c(-c3cccc(Br)c3)nnc2N2CCO[C@@H](C#N)C2)CC1 1710298228 CWXGYPOSINPJDW-FQEVSTJZSA-N 488.434 2.464 30 10 JEEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1722301574 CJFLCRDUYVEMPY-LIRRHRJNSA-N 455.005 2.231 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CC(C)(C)COCC)c1 1722310067 SBNQBNIYERKLCV-LJQANCHMSA-N 452.559 2.348 30 10 JEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1722317898 YGYPLGWDOSTNLT-HXUWFJFHSA-N 461.632 2.213 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCc1ccc(C=C)cc1)[C@@H]1CCS(=O)(=O)C1 1722360735 JGZYRYDFUMRWIZ-OAQYLSRUSA-N 450.568 2.191 30 10 JEEE C#CCN(c1nnc(C2CC2)n1Cc1cccc(C(=O)N[C@@H](C)CC)c1)[C@H]1CCS(=O)(=O)C1 1722367210 KVCVHNLPWBKYCA-UWJYYQICSA-N 469.611 2.359 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccc(OC)cc1)N1CCCC1 1722384706 XOECGIGUODOUKX-JTHBVZDNSA-N 481.622 2.099 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCS(=O)(=O)C1 1722426346 AARKQXRKUBBBIS-MOPGFXCFSA-N 495.646 2.261 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CCCN2C[C@H](C)O[C@@H](C)C2)CC1 1722449259 OUHJZIUTTBNKMD-SFTDATJTSA-N 496.631 2.473 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC)cc2)nnc1N1CCC(OCC(N)=O)CC1 1722497262 UASVMCBMCMDARH-AVRDEDQJSA-N 455.559 2.406 30 10 JEEE C=C(Cl)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(C(=O)NCCOC)CC1 1722547737 MXNWNXHZDQVZKL-UHFFFAOYSA-N 461.950 2.448 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCN(C)Cc2ccc(F)cc2)CC1 1722566782 YWRSQPIBLRKLFX-NRFANRHFSA-N 492.621 2.039 30 10 JEEE C=CC1CCN(c2nnc(-c3nn(CCC)c(=O)c4ccccc34)n2CCS(=O)(=O)NC)CC1 1722578441 MHVHEASYQWTZMP-UHFFFAOYSA-N 485.614 2.017 30 10 JEEE C=CCCCn1c(CCOc2ccccc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1722619505 FMEZBFXCNWXAPX-UHFFFAOYSA-N 466.586 2.137 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccn(CC)c1=O 1722656818 JQDYMMISDKTBBY-QFIPXVFZSA-N 492.605 2.474 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(S(C)(=O)=O)CCC1 1722663549 AXDZRKNZCBXOPN-INIZCTEOSA-N 484.669 2.402 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1CC(=O)NCC(F)(F)F 1722681834 UDBIXDXLOANZCC-MRXNPFEDSA-N 455.437 2.108 30 10 JEEE C=CCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1722682842 MVYVTSWOTQBAGZ-LPHOPBHVSA-N 454.531 2.476 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1722696164 CZTAMIRKVAPLBR-UHFFFAOYSA-N 453.522 2.313 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccc(CN3CCO[C@@H](C)C3)c2)C1 1722708674 BBAXUTFQODHZPW-REWPJTCUSA-N 482.629 2.467 30 10 JEEE C#CCN1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CCC(C)(F)F)CC1 1740695037 AZDQYLSDVAYKRB-UHFFFAOYSA-N 455.513 2.475 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2Cc2cccc(NC(=O)OC)c2)CC1 1740704972 ZCVPYDOEEZKWMA-UHFFFAOYSA-N 461.526 2.466 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCCN1CCCC 1740731696 FTOMVSOFGROABF-ZFGGDYGUSA-N 492.690 2.258 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2cccc(C)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1740763550 MOTJASRUOHPYHR-DENIHFKCSA-N 475.615 2.228 30 10 JEEE C=C(Cl)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@@H](NC(C)=O)C1 1740808970 FHJGWVLRHUOSDA-OAHLLOKOSA-N 451.984 2.096 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)Oc2ccc(OC)cc2)CC1 1740825282 LIPKQZORIAGJEJ-RXVVDRJESA-N 491.614 2.244 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCCCS2)CC1 1740839647 MNNNWXNAVLLFQV-ZWKOTPCHSA-N 455.650 2.299 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1740961303 STAQAJCYUNRXEK-UHFFFAOYSA-N 469.565 2.038 30 10 JEEE C=CCOc1ccccc1Cn1c(-c2cnccn2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1740968621 DATQOZAMXCOGRX-GOSISDBHSA-N 454.556 2.362 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cccc(C(F)(F)F)n2)C1 1740982485 UZSPQGSWEBLJMZ-ZBFHGGJFSA-N 471.505 2.424 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CCCn2nc(C)cc2C)c1 1748692955 SWVOIVGUYVCFPD-OAQYLSRUSA-N 474.569 2.189 30 10 JEEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1748830432 WCMHCRXMMLJYRE-WIYYLYMNSA-N 453.509 2.276 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccccn2)n1C[C@H]1CCCN1S(C)(=O)=O 1748946587 KWQPEGDNUHSMHK-JOCHJYFZSA-N 482.585 2.467 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H]2CCOC2)CC1 1749003890 YPXBBAZUQZDREI-OAHLLOKOSA-N 475.391 2.048 30 10 JEEE C#CCSCCn1c(COc2ccc(Cl)cc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1749046739 DZURMEBVGPUIDV-QGZVFWFLSA-N 460.991 2.433 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)cn2C)n1C[C@H]1CCN(S(C)(=O)=O)C1 1749056358 FVHUGNSZOLTIQY-MGPUTAFESA-N 495.447 2.320 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1749666639 OUOJKCIUPBNFFG-RBUKOAKNSA-N 492.628 2.457 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@H](CN(CC)CC)C1 1749668808 FIPUVZLZDAOQMJ-WIYYLYMNSA-N 454.575 2.261 30 10 JEEE C=CCNC(=O)Cn1c(N2CCO[C@@H](c3ccc(F)cc3F)C2)nnc1[C@@]1(OCC)CCOC1 1749681873 KBOAOJPRNKQYMZ-AUSIDOKSSA-N 477.512 2.089 30 10 JEEE CC(C)(C)NC(=O)CCn1c(Cc2ccccn2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1750486214 BAGLOEDNLYONNY-UHFFFAOYSA-N 473.585 2.162 30 10 JEEE Cc1cc(NC(=O)CN2CCN(c3nnc(-c4ccc(C#N)cc4)n3CC(F)(F)F)CC2)no1 1751434262 HKIZSEFEXKPUHH-UHFFFAOYSA-N 474.447 2.436 30 10 JEEE Cc1ccc(NC(=O)c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@](C)(O)c2ccco2)cc1C 1751544236 DUYCISHSVHABOS-MBSDFSHPSA-N 450.499 2.377 30 10 JEEE CC(C)[C@](C)(O)Cn1c(Cc2ccncc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1752280253 DAYGOWPYQBOHJB-MHECFPHRSA-N 461.574 2.048 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2Cc2nnc(C)s2)c1 1760128453 IEHLKNQQSHEGCX-QGZVFWFLSA-N 451.556 2.437 30 10 JEEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1ncnn1CC(F)F 1760154822 JUBPVWZVTBWLFG-MRXNPFEDSA-N 494.547 2.493 30 10 JEEE C#CCCCn1c(Cc2ccccc2OC)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1760155607 CQFNIOKSVHPFIN-LJQANCHMSA-N 459.616 2.399 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1Cc1snnc1C)[C@H]1CCS(=O)(=O)C1 1760180456 FSKQCJIBFRNJGX-RDJZCZTQSA-N 490.586 2.392 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccc(N(CC)CC)nc1)[C@@H]1CCS(=O)(=O)C1 1760183192 OZHSITITJZCHHN-LJQANCHMSA-N 458.632 2.492 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(Cl)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1760245255 XGLTYHFMANINBG-XUTLUUPISA-N 454.918 2.211 30 10 JEEE C#CCSCCn1c(-c2ccccc2OC)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1760278400 TXUGABIFYPNGOG-UHFFFAOYSA-N 468.627 2.065 30 10 JEEE C=C(C)COCCn1c(-c2cccc(C)n2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1760355509 MVWRRNVFKMOQPC-AUSIDOKSSA-N 467.618 2.230 30 10 JEEE C=C(Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1)c1ccccc1 1760360538 FUGLFWBWYBFKHK-UHFFFAOYSA-N 473.585 2.370 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCOCCC(C)C)CC1 1760402334 KIMRMAIEWMGLON-LJQANCHMSA-N 455.625 2.076 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC(=O)N(C)C)CC1 1760413132 YYCLZZUVFMEZMC-GOSISDBHSA-N 451.637 2.477 30 10 JEEE C=CCN(CC=C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1760492017 CEJDWBWRKDIBON-QGZVFWFLSA-N 459.572 2.176 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)(C)c1ccc2c(c1)OCCO2 1760688150 BPZPTSBLRUNICR-JKSUJKDBSA-N 476.603 2.233 30 10 JEEE CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1768249044 BJVAVSBESKKNQU-QGZVFWFLSA-N 479.006 2.068 30 10 JEEE COc1cc(C)nc(N2CCN(c3nnc(-c4cccc(C#N)c4)n3CCCC(=O)N(C)C)CC2)n1 1769795840 BJCXZJXHAMZELW-UHFFFAOYSA-N 489.584 2.119 30 10 JEEE COc1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(NC(C)=O)CC2)c(OC)n1 1770205021 FANJCKXQVFEAGY-UHFFFAOYSA-N 461.526 2.382 30 10 JEEE COCC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2N(C)CCCC2(C)C)CC1 1770681004 BFXMJSUOPLVEFR-QFIPXVFZSA-N 495.628 2.144 30 10 JEEE Cn1c(=O)oc2cc(S(=O)(=O)N3CCN([C@@H](C#N)c4cccc(Br)c4)CC3)ccc21 1857956757 CGYOZUKTYROXNW-SFHVURJKSA-N 491.367 2.465 30 10 JEEE C=CCOc1ccccc1[C@@H]1C(C(=O)NCCOC)=C(N)Oc2c1c(C(F)(F)F)nn2C 1864322762 UGNLYIPAURWOLE-AWEZNQCLSA-N 452.433 2.461 30 10 JEEE Cc1cc(C)c(C)c(S(=O)(=O)N2CCC[C@@H]2C(=O)N(C)C2CN(c3nccnc3C#N)C2)c1C 1891964025 VBJBNZHLOSGYAP-OAQYLSRUSA-N 482.610 2.082 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N1C[C@H](O)CC12CN(C(=O)OC(C)(C)C)C2 2066536683 BHIODJWSEKDCNU-HZPDHXFCSA-N 452.552 2.156 30 10 JEEE C[C@@H](NS(=O)(=O)N1CC(OCc2ccccc2)C1)c1nscc1B1OC(C)(C)C(C)(C)O1 2130086803 QRQIAHFLYOUQHB-OAHLLOKOSA-N 479.433 2.239 30 10 JEEE COC[C@@]1(C(=O)N2C[C@H]3[C@H](B4OC(C)(C)C(C)(C)O4)[C@H]3C2)CN(C(=O)OC(C)(C)C)CCO1 2180983482 CWHASANHPNRJNA-XPGVTRPJSA-N 466.384 2.190 30 10 JEEE CN(C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCN(C(=O)OCc2ccccc2)C1 2247820105 MKUCCKWJKXTFDU-QGZVFWFLSA-N 454.336 2.192 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2C[C@@H](OC)C[C@H]2CNC(=O)OC(C)(C)C)C1 2255160896 UHVWPXAGUDXYPE-LLUXXFGUSA-N 451.564 2.434 30 10 JEEE CC(C)(C)OC(=O)N1CC(F)(CNS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2255750495 KPOMDSBPYJJRRB-UHFFFAOYSA-N 476.401 2.285 30 10 JEEE CC1(C)OB(c2cc(C(=O)N3CC(NC(=O)OCc4ccccc4)C3)c(O)cc2O)OC1(C)C 2256013130 BSZHHERQQNAPIS-UHFFFAOYSA-N 468.315 2.148 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1COC[C@H]1CNC(=O)OC(C)(C)C 2267127701 KXFGPSUGPHTXCI-ZIAGYGMSSA-N 467.397 2.020 30 10 JEEE CC(C)(C)OC(=O)N1CCCO[C@H](CNC(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)C1 2267187248 VHMMITWTIKORDR-OAHLLOKOSA-N 450.341 2.335 30 10 JEEE Cc1nc(C(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)c(B2OC(C)(C)C(C)(C)O2)s1 2267477807 PXUUITKSUNUJNW-SFHVURJKSA-N 457.405 2.382 30 10 JEEE CN(CCCCN(C)C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2267515143 KDHSWZYNBMDYOS-UHFFFAOYSA-N 450.389 2.438 30 10 JEEE CC(C)(C)OC(=O)NC1CC(O)(C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)c2F)C1 2268705356 HPSGJELQIKUZST-UHFFFAOYSA-N 450.316 2.482 30 10 JEEE CC(C)(C)OC(=O)NCCc1n[nH]cc1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2268716440 UVNFYLJPHLAKAN-UHFFFAOYSA-N 463.369 2.485 30 10 JEEE CN(CC(C)(C)N(C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1)C(=O)OC(C)(C)C 2273279595 ANCKYSNXJCRXMZ-UHFFFAOYSA-N 450.389 2.437 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)c2cc(F)ccc2B2OC(C)(C)C(C)(C)O2)CCO1 2281771754 ZHFJTNULETXQEX-INIZCTEOSA-N 464.343 2.491 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC[C@@](CO)(NC(=O)OC(C)(C)C)C1 2281967085 NAQQVAJOPQSRJZ-JOCHJYFZSA-N 481.424 2.243 30 10 JEEE CC(C)(C)OC(=O)N1[C@H](CNC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C[C@@H]2OCC[C@@H]21 2282010196 WOXFUPUQXFNAIN-BPUTZDHNSA-N 479.408 2.339 30 10 JEEE CN1CCC(CNC(=O)OC(C)(C)C)(NC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)CC1 2282018964 FFQXQADKDLWVIK-UHFFFAOYSA-N 480.440 2.161 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1(C)C 2282022448 TZLNAWQVTPTIHF-ZBFHGGJFSA-N 460.384 2.445 30 10 JEEE Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H](O)C[C@H](NC(=O)OC(C)(C)C)C1 2282127948 DZDVHYMESPEZCQ-IRXDYDNUSA-N 460.380 2.394 30 10 JEEE CC(C)(C)OC(=O)NCCn1cc(NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)cn1 2282187408 IUHRYIIGWVXLDJ-UHFFFAOYSA-N 457.340 2.354 30 10 JEEE C[C@H]1C[C@@H](N(C)S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CN1Cc1ccccc1 2282350641 PUNJKUUPDDHFRC-PKOBYXMFSA-N 474.436 2.003 30 10 JEEE COc1ccc(S(=O)(=O)N[C@@H]2C[C@@H]2CNC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2282492857 QWQOOMOLYUCJBE-RHSMWYFYSA-N 482.408 2.186 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@]2(C[C@@H](NC(=O)c3nscc3B3OC(C)(C)C(C)(C)O3)CO2)C1 2282528957 ZGKZKMGGEBHTQE-JLCFBVMHSA-N 479.408 2.341 30 10 JEEE CC(C)(C)OC(=O)NCCO[C@H]1CCN(C(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2282666624 YOKDDGDUWMGYKL-INIZCTEOSA-N 461.368 2.137 30 10 JEEE C[C@H]1CN(Cc2ccccc2)C[C@H](C)N(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)C1 2282700936 UMNVZSZWPGFMMH-ROUUACIJSA-N 453.396 2.097 30 10 JEEE Cc1nn(C)c(C(=O)N2C[C@H]3C[C@]3(CNC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2288252469 NTWLIJZZRPXGCA-CMJOXMDJSA-N 460.384 2.015 30 10 JEEE CCCN1C(=O)C(=Cc2c(C)c(C#N)c(=O)n(C)c2N2CCN(C(=O)OCC)CC2)SC1=S 2314426197 PTAHMHZEUHSBLE-UHFFFAOYSA-N 489.623 2.455 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@H]2C[C@H](NC(=O)c3ncsc3B3OC(C)(C)C(C)(C)O3)C[C@@H]21 2369091381 ZWPZDZCMGWDFFU-QLFBSQMISA-N 479.408 2.339 30 10 JEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)[C@]23CCC(=O)N2c2ccccc2S3)CC1 14700809 GKJDOCYDXCMMAP-JOCHJYFZSA-N 468.560 2.020 30 10 JEEE C=CCn1cc(/C=N/Nc2nc(SCC(=O)NCc3cc(OC)cc(OC)c3)n[nH]2)cn1 59831785 MLKWXCDQKACTJE-LSHDLFTRSA-N 456.532 2.059 30 10 JEEE CCOC(=O)C1CCN(c2nc3c(c(=O)[nH]2)[C@H](c2ccccc2Cl)[C@H](C#N)C(=O)N3)CC1 72444631 XVOHEDWCPGWMSN-GOEBONIOSA-N 455.902 2.427 30 10 JEEE CSc1nc(O)c(C(=O)N2CCCN(S(=O)(=O)c3cccc4cnccc34)CC2)cc1C#N 490361785 FUCKHQUEYXOIJO-UHFFFAOYSA-N 483.575 2.466 30 10 JEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NC[C@H](c2cccs2)N2CCCC2)CC1 514564550 LAGKTHFHJNTSME-LJQANCHMSA-N 473.624 2.473 30 10 JEEE N#C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1)C(=O)[C@@H]1CCCN(C(=O)C2CC2)C1 729887775 CFBDIIZIQILBDW-WIYYLYMNSA-N 486.594 2.157 30 10 JEEE COc1ccc(COc2ccc(C=NNc3nc(SCC(=O)Nc4nc[nH]n4)n[nH]3)o2)cc1 1084146339 MNEFIIRCBMUWQE-UHFFFAOYSA-N 469.487 2.280 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(N2CCOCC2)nc1 1286304940 YVPNRKCSEWLZJP-QGZVFWFLSA-N 465.583 2.007 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@]1(N(C)C)CCSC1)[C@@H]1CCS(=O)(=O)C1 1286393032 JFRPWTWJWBRVOI-AUSIDOKSSA-N 491.658 2.072 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1CC1(N2CCSCC2)CCCCC1 1286398359 JKBKKRZZURDAKF-UHFFFAOYSA-N 454.644 2.339 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@]2(O)CCSC2)CC1 1286486219 DDPQCDHGWLKOEZ-XMMPIXPASA-N 453.612 2.341 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCN(CC)C2)CC1 1286488406 YLEJJDYWHDCXNA-GOSISDBHSA-N 465.558 2.161 30 10 JEEE C=CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(S(=O)(=O)CC)CC1 1286696198 WXWFCAGPENXBND-UHFFFAOYSA-N 456.576 2.291 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCN(C(=O)OCC)CC2)cc1 1286793903 PMPNWXFFUPJANZ-UHFFFAOYSA-N 468.558 2.406 30 10 JEEE CC(C)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1287216434 FGIOUOPCMAHWPN-SFHVURJKSA-N 475.594 2.020 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCC(=O)N1CCCCCC1 1300281954 FPCSJDRLVOWJQO-LJQANCHMSA-N 486.642 2.446 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(S(C)(=O)=O)CCCC1 1300283733 ONEAFMLMIBITQS-KRWDZBQOSA-N 493.655 2.011 30 10 JEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(CCOC)[C@@H](CC)C1 1300391022 DDIQUFFKYNOSGR-FQEVSTJZSA-N 459.616 2.309 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCCC)c(OC)c1 1300538087 NLAKFHIKBMJTNS-LJQANCHMSA-N 456.568 2.099 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H](Cc2ccccc2)OC)CC1 1300685418 NHGUCSQOLCDFNI-JYFHCDHNSA-N 467.614 2.332 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1300707306 DKONEJGFJBHOII-IBGZPJMESA-N 456.978 2.180 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H]2CCC(F)(F)C2)CC1 1300715827 FQXMNCZFKOMWIT-HTAPYJJXSA-N 465.545 2.331 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(F)cc2)n1CCNS(=O)(=O)Cc1ccon1 1300807688 DRUIFSAWEAWGSE-JOCHJYFZSA-N 472.546 2.108 30 10 JEEE C=CCCOCCn1c([C@@H]2CCCCO2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1301253508 ZXPHFTUSDWADAL-BVSLBCMMSA-N 460.623 2.101 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](CN2CCCC[C@H]2C)C1 1301579806 YDMOJWFWSDMGFV-UXHICEINSA-N 475.663 2.370 30 10 JEEE C=CCN(CC(=O)Nc1nc(-c2cc(OC)ccc2OC)cs1)[C@@H]1CCS(=O)(=O)C1 1307537347 CPXUFYKTGJVWBZ-CQSZACIVSA-N 451.570 2.441 30 10 JEEE CCCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1313499047 FXTVEYJYVRFEBN-DENIHFKCSA-N 480.617 2.316 30 10 JEEE CCOc1ccc(O[C@@H](C)c2nnc(N3CC[C@@](F)(C#N)C3)n2CCN2CCCS2(=O)=O)cc1 1314194957 DOGHHCCTGBKNLA-HTAPYJJXSA-N 492.577 2.294 30 10 JEEE CN(C)S(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1314674368 AWYUXKAHQZEVCL-UHFFFAOYSA-N 463.567 2.397 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CNC(=O)c3cccs3)n2C[C@@](C)(O)C2CC2)c1 1358903053 JWJCUDVQZBQVAX-RUZDIDTESA-N 492.605 2.487 30 10 JEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCCO[C@H](C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1358955766 SUQLXFHDFZMNFX-IRLDBZIGSA-N 499.637 2.309 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1ccc(OC)cc1OC)[C@@H]1CCS(=O)(=O)C1 1358961485 ZYRGRYOKJTXTHY-LJQANCHMSA-N 481.578 2.341 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H](OC)c2ccc(F)cc2)CC1 1359048082 DRIAJJWZCGEZJC-WWNPGLIZSA-N 499.587 2.495 30 10 JEEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1359050761 BYQCERHXWZUUGW-AUSIDOKSSA-N 477.638 2.172 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(OC)cc2)n1CCCn1cc(CO)nn1 1359074127 ROUKOEFRZZJIQO-HSZRJFAPSA-N 451.531 2.032 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCN(CCOC)CC1 1359294917 IZMICGYJPSGUSD-UHFFFAOYSA-N 458.632 2.346 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1359294976 KZOMAYHSFZUKEE-GFCCVEGCSA-N 494.375 2.341 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCN(Cc2cc(C)on2)CC1 1359305274 XZYTWKTUWZCZEK-UHFFFAOYSA-N 465.558 2.086 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N2CCCC2=O)CC1 1359328644 KFUTVKLMMJGFHU-UHFFFAOYSA-N 468.583 2.009 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1359334649 MWWWVEDPPBCRMU-VQTJNVASSA-N 473.599 2.014 30 10 JEEE C#CCN(C(=O)c1ccnc2c(C(N)=O)cnn12)[C@H]1CCOc2ccc(Br)cc21 1465179881 PQLBNAZHEQTOPW-HNNXBMFYSA-N 454.284 2.190 30 10 JEEE COc1ccccc1OC[C@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H](C)C#N 1504428320 HUHHJQUCIRTEOV-KSZLIROESA-N 461.588 2.500 30 10 JEEE CSC1(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)CCOCC1 1505195192 BTATZKPAFLAIHV-GOSISDBHSA-N 491.639 2.264 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1CCN1CCN(C(C)=O)CC1 1507520782 RIMSGZCEZOIFHH-INIZCTEOSA-N 459.392 2.330 30 10 JEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1507593518 RBZRHZWYXCKPOP-PZJWPPBQSA-N 497.669 2.062 30 10 JEEE C#CCN(c1nnc(COCC)n1C[C@H](c1ccc(C)cc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1507638416 QUUYPJSJOZVJSX-LEWJYISDSA-N 459.616 2.053 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1Cc1cccc(OCC(N)=O)c1 1507643538 OJTOMRBYENAYHU-UHFFFAOYSA-N 481.354 2.031 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCOC)CC1 1507740264 ZNHOKTGTHFWBDQ-IBGZPJMESA-N 474.606 2.005 30 10 JEEE C#CCSCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1507754567 NWHGTTZNLLUXBV-KURKYZTESA-N 463.604 2.321 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CCOc2ccccc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1507805484 JREIWBCTFLFVGS-MIZPHKNDSA-N 489.642 2.351 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cccc(C(OC)OC)c2)CC1 1507884403 IDPPMCHBWOVKOK-FQEVSTJZSA-N 491.614 2.107 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCN(C(C)=O)C[C@H]1C 1508072139 HRVPCMLBUUYNEN-CYBMUJFWSA-N 479.354 2.206 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1508134433 SEXPHYKEDWSYAX-SFHVURJKSA-N 476.603 2.030 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1508136116 PMCXYGZPDNGEKO-INIZCTEOSA-N 482.532 2.490 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1508136822 VTEGALOCFUUDBW-MSOLQXFVSA-N 477.631 2.482 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCO[C@H](CCC)C1 1508145931 RACOPKUZPDPUPR-YLJYHZDGSA-N 462.572 2.397 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1cn(C2COC2)nn1 1539016476 YQTBXGJILBUMGL-SJORKVTESA-N 470.578 2.062 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1C[C@H]1CCC=CO1)[C@H]1CCS(=O)(=O)C1 1539205194 GDUAMYUDILXVDG-DLBZAZTESA-N 494.415 2.366 30 10 JEEE C#CCN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1539345130 QBLAPDASCOXBEW-NLFFAJNJSA-N 468.602 2.447 30 10 JEEE C#CCSCCn1c(COc2ccccc2F)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1539526600 NEZPLMGNCHDXBK-MRXNPFEDSA-N 452.577 2.376 30 10 JEEE C=C(Br)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1539580011 GHLGDUFPZVSWHJ-CQSZACIVSA-N 456.322 2.385 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1cccc(C)c1 1539668764 FBGLGUYOXAIIMZ-HXUWFJFHSA-N 463.604 2.401 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2ccccc2C)C1 1539706822 VBRWDSHJDVWJOQ-PMACEKPBSA-N 461.588 2.073 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC(C)(C)OC(C)(C)C1 1540869670 UCVLQQBXDONWIP-UHFFFAOYSA-N 479.585 2.371 30 10 JEEE C=CCNC(=O)Cn1c(N2CCO[C@@H](c3cccc(F)c3)C2)nnc1[C@]1(OC(C)C)CCOC1 1540876504 TWRLHWOFFWYZGK-YKSBVNFPSA-N 473.549 2.338 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C)C(=O)[C@@H]1C 1540879670 LGONYIJQMHUZQQ-KRWDZBQOSA-N 461.526 2.205 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(C(=O)OC)CC1 1540900197 NRZCRAGOQLARRP-UHFFFAOYSA-N 483.978 2.096 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCO[C@@H](c2ccccc2C)C1 1540901498 FXCUBFNKSFAWHF-HXUWFJFHSA-N 454.556 2.222 30 10 JEEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)Cc2cccc(OC)c2)CC1 1540908556 YJSCYVXJRKUXKA-UHFFFAOYSA-N 498.653 2.333 30 10 JEEE CC(=O)N1CCc2c(sc(NC(=O)CN3C(=O)NC4(C[C@@H](C)C[C@H](C)C4)C3=O)c2C#N)C1 1540918765 URMLSBRIFWLVEN-STQMWFEESA-N 457.556 2.210 30 10 JEEE C=CCNc1ncc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2NCC)s1 1546018170 SRSTWKWEZAZIMB-UHFFFAOYSA-N 451.574 2.446 30 10 JEEE COCCN1C[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CC(C)(C)OC[C@@H]2C)CC1=O 1555573288 ACNPZHQYMJBVSK-AZUAARDMSA-N 482.585 2.227 30 10 JEEE C=C(C)CS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2Cl)CC1 1561063107 LMGJHKDGVMITJW-UHFFFAOYSA-N 457.799 2.315 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCCO3)n2CCCN2CCC(O)CC2)c1 1587692459 DZIJEXVFMMNZRP-QHCPKHFHSA-N 480.613 2.423 30 10 JEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2cc(C)ccc2OC)CC1 1587862408 WSGVXXBPJZGWET-FQEVSTJZSA-N 471.627 2.233 30 10 JEEE C#CCN(c1nnc(C(C)C)n1C[C@@H](C)CNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1588030207 QSVOIYOLFMFWGC-IRXDYDNUSA-N 453.609 2.189 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CC(C)(C)CC=C)[C@H]1CCS(=O)(=O)C1 1588030551 XHBCMRNHUSZEMJ-KRWDZBQOSA-N 456.572 2.154 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1CCc1cc(F)cc(F)c1)[C@H]1CCS(=O)(=O)C1 1588049497 HEWPNQUBHDRWNQ-FQEVSTJZSA-N 457.506 2.488 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CC(C)(C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 1588055532 XGSROAXLXVUXIF-VQTJNVASSA-N 463.648 2.268 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCOC[C@H]1CCCO1 1588144146 VFRKJURNWNENFS-RTWAWAEBSA-N 487.601 2.245 30 10 JEEE C#CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCc1cccnc1 1588581635 ZAYVAZCZLRQEJR-UHFFFAOYSA-N 467.599 2.270 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](c2ccc(F)cc2)N(C)C)CC1 1588923759 LIQRSTLOWRQOCH-JOCHJYFZSA-N 478.576 2.086 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](OC)c2ccc(Cl)cc2)CC1 1588923982 SOTGOMUCOSNVFD-VQTJNVASSA-N 484.988 2.236 30 10 JEEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1589077801 AOLUDYSLPZKHLS-UHFFFAOYSA-N 490.580 2.088 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(C(=O)NCCOC)CC1 1589405220 PIOQEJKOULGAMO-MRXNPFEDSA-N 456.385 2.060 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CC(=O)NC(C)C 1589503899 FTFGMLZSEWZNSX-RXVVDRJESA-N 475.615 2.291 30 10 JEEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2ccccc2C)C1 1593696179 KUCYDZZSQDENSU-AZUAARDMSA-N 463.604 2.367 30 10 JEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CCN(CC(F)(F)F)C2)CC1 1594192000 BTRXSGLJLAMMHW-GDBMZVCRSA-N 464.558 2.175 30 10 JEEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC2(CCCC2)C1 1594812495 GTTDTCLOBCVULT-LJQANCHMSA-N 467.636 2.364 30 10 JEEE CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCN(C)C(C)(C)C2)C[C@H]1C 1615858509 BYXLHJNNHLYPSQ-HXUWFJFHSA-N 450.635 2.373 30 10 JEEE C#CCN(CC(=O)N1CCN(C(=O)c2ccccc2OC(F)F)CC1)C(=O)OC(C)(C)C 1624449701 KPDZYYDXHLSFEZ-UHFFFAOYSA-N 451.470 2.443 30 10 JEEE C=CC[C@H](CO)CNC(=O)C1CCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)CC1 1633025625 DLZQXPFBPPYYCU-AWEZNQCLSA-N 450.479 2.287 30 10 JEEE C=CCOc1ccc(C(=O)Nc2cc(C(N)=O)ccc2CN2C(=O)CN(C)C2=O)cc1OC 1634686538 WODQCQUBBYGJGL-UHFFFAOYSA-N 452.467 2.005 30 10 JEEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2cc(-c3ccc(OC)cc3)nn2CCO)cc1 1648823660 GCZCMZJCFKTKQD-UHFFFAOYSA-N 456.524 2.268 30 10 JEEE C=CCNC(=O)c1cccc(S(=O)(=O)N(C[C@@H](O)CC(C)(C)C)C2CCN(C)CC2)c1 1661933292 GLBKFCLJTHWXBS-FQEVSTJZSA-N 451.633 2.484 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1C[C@H]2C[C@H](NC(=O)OC(C)(C)C)C[C@@]2(C(=O)OC)C1 1686315634 UIIQOMYNOGYAQE-SVICIFOVSA-N 451.564 2.456 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C 1689853471 UGHKMKKIQGEXGQ-AKHDSKFASA-N 481.663 2.299 30 10 JEEE C#CCN(c1nnc(-c2c[nH]c3ccccc23)n1CCC(=O)N[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1689988404 OEWQIFQECNHFCR-ZWKOTPCHSA-N 482.610 2.358 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccsc1Br)[C@@H]1CCS(=O)(=O)C1 1689988640 SYBBXYNDABBMEC-OAHLLOKOSA-N 495.428 2.178 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CCC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1689997246 YSQUBPWXEISTGY-HXUWFJFHSA-N 476.574 2.440 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(N2CCOCC2)CCSC1 1690026882 PMAQWHGAUBSBDV-VWLOTQADSA-N 476.606 2.009 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1CC1([S@@](C)=O)CCC1 1690092397 GUIDIEIELNLCPA-JGCGQSQUSA-N 457.575 2.481 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(N(C)C)c(F)c2)CC1 1690154787 ZRQDIWDIGDDXAA-REWPJTCUSA-N 498.603 2.221 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)CCNS(C)(=O)=O 1690239577 YNEGUGUWJJPYBC-CJNGLKHVSA-N 487.424 2.002 30 10 JEEE C=C(C)COCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN2CCCC[C@@H]2C1 1690302498 GFGSFAHEBXCMLI-OAQYLSRUSA-N 488.658 2.463 30 10 JEEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1690473589 AGGQTPAWJLSCLC-DENIHFKCSA-N 488.658 2.319 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1690676689 ASHIEEKBKPYRLN-UHFFFAOYSA-N 498.653 2.256 30 10 JEEE C=CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@](C)(C(=O)NC)C1 1690747189 VQXUHCXODKYKIO-SBUREZEXSA-N 494.662 2.468 30 10 JEEE C=CCSCCn1c(N2CCN(c3ccnc(C)n3)CC2)nnc1[C@@]1(OCC)CCOC1 1690752587 MDUHAMKLEBFQGA-JOCHJYFZSA-N 459.620 2.274 30 10 JEEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N(CCC#N)CC2CC2)n1CC1(O)CCS(=O)(=O)CC1 1691328428 AWSDCIIMNSTRCK-RTBURBONSA-N 479.647 2.266 30 10 JEEE CC(C)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCN2CCCO)CC1 1692423744 FUXHRXZSLWAMKK-QHCPKHFHSA-N 451.619 2.442 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCN(CC(F)(F)F)C1 1705485141 DYVLEVCPKRVWKI-CVEARBPZSA-N 459.480 2.263 30 10 JEEE C#CCCCCn1c(CCc2ccccc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1705519555 OKMRELQDFFPDEB-UHFFFAOYSA-N 450.587 2.441 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCc2nccn2C1 1705583071 PMJSDDLXFVEEBC-WOJBJXKFSA-N 479.585 2.118 30 10 JEEE C#CCN(CC)c1nnc(-c2ccccc2Cl)n1CCS(=O)(=O)N1CCSCC1 1705609232 VEBXDIMOBQGJDZ-UHFFFAOYSA-N 454.021 2.437 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2CCCNC(=O)c2occc2C)CC1 1705642773 HAPXKRSHWKOXHA-UHFFFAOYSA-N 480.544 2.473 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cn4ccccc4n3)n2CCCOC(C)C)CC1 1705650170 MJLZMBNIWYCENQ-UHFFFAOYSA-N 463.586 2.298 30 10 JEEE C#CCSCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCCN(S(C)(=O)=O)CC1 1705653324 FEHNVDUGSGDTTE-KRWDZBQOSA-N 481.619 2.395 30 10 JEEE C=C1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCc2n[nH]c(C)n2)CC1 1705768779 AIELYXALFZRHEX-KRWDZBQOSA-N 458.567 2.412 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ccsc2)CC1 1705781977 LSBZBCSWOJRUKO-GOSISDBHSA-N 451.618 2.318 30 10 JEEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOc2ccccc2Cl)CC1 1705890787 INBDGKAJRIOLKD-KRWDZBQOSA-N 466.007 2.221 30 10 JEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 1705946513 JRBXENDXYOVRAY-QZTJIDSGSA-N 483.704 2.478 30 10 JEEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(C#N)c1 1705947080 ZGHLZHJURXTVNZ-IBGZPJMESA-N 476.628 2.038 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(OCCN2CCCC2)cc1 1706748129 GAWYKUACBKAXIH-GHTZIAJQSA-N 451.575 2.490 30 10 JEEE CC[C@@H](C)c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CCCn1cc(CO)nn1 1708554945 DFFVLJZDQRLDLX-UTKZUKDTSA-N 450.547 2.415 30 10 JEEE CCOC1(Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3nccnc3C#N)C[C@@H]2C)CCCC1 1710491675 BBKSKVRSNNORRU-SFHVURJKSA-N 481.605 2.142 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2Cc2noc3c2CCCC3)c1 1722305315 GIANEKQYKYQECJ-UHFFFAOYSA-N 475.553 2.388 30 10 JEEE C#CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1722309746 DHTJVAVDMBDHKG-UHFFFAOYSA-N 474.407 2.240 30 10 JEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1COCCC)[C@@H]1CCS(=O)(=O)C1 1722360144 ZHJSCNKYLOBKKQ-JOCHJYFZSA-N 499.637 2.116 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@](C)(O)CCC)[C@@H]1CCS(=O)(=O)C1 1722363773 BVGPJVRMIPNKGT-OPAMFIHVSA-N 466.554 2.325 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CCc1csc(CC)n1)[C@@H]1CCS(=O)(=O)C1 1722365755 NVDJQCKEZDNTLU-LJQANCHMSA-N 470.624 2.152 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)N(C)C1CC1 1722382527 ALDMRQMQMHCKRC-UYAOXDASSA-N 456.591 2.142 30 10 JEEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1CC1(N2CCCC2)CCOCC1 1722415716 GFSWOMGIWMVPRG-UHFFFAOYSA-N 456.616 2.374 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1C[C@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C 1722425427 YKAVOYLKHYBIMM-HKUYNNGSSA-N 457.579 2.410 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@]2(OC)CCOC2)CC1 1722448240 WXNAPEGZCPNSBW-DEOSSOPVSA-N 471.989 2.294 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CCCN2C[C@@H](C)O[C@H](C)C2)CC1 1722449254 OUHJZIUTTBNKMD-NHCUHLMSSA-N 496.631 2.473 30 10 JEEE C=C(Br)Cn1c(COc2ccccc2F)nnc1N1CCN(CC(=O)NC2CC2)CC1 1722489082 GWZMZNPSIKUYEE-UHFFFAOYSA-N 493.381 2.305 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(=O)OC)CC1 1722495023 PINMKPZZLIFFGZ-AZUAARDMSA-N 489.598 2.218 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1722519413 FLZFQDWCGVKTEB-UHFFFAOYSA-N 458.588 2.263 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cc(Cl)ccc1OC 1722523158 DFVWAEYYMVOLGA-GOSISDBHSA-N 469.995 2.486 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1[C@@H]1C[C@@H]1C 1722653847 FEYIOHWSSFFSAU-DBVUQKKJSA-N 461.588 2.393 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCSC1(C)C 1722672605 VATGDOGFNJDOGI-IRXDYDNUSA-N 455.650 2.321 30 10 JEEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)[C@H](CC)C1 1722686291 WRLSXDZEAFSORY-ZACQAIPSSA-N 453.609 2.496 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CC[C@H](OCCOC)C1 1722694239 PBMITPKEEFEFLY-KRWDZBQOSA-N 464.364 2.252 30 10 JEEE CC(C)n1nc(-c2nnc(N(C)[C@@H](C)CC#N)n2C[C@@]2(O)CCN(C)C2)c2ccccc2c1=O 1723771516 GEIYNOFSHGSTGK-BXKMTCNYSA-N 464.574 2.041 30 10 JEEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@@](C)(O)CCC(C)C 1729068738 BITYSTXCRCCQAK-MBSDFSHPSA-N 456.595 2.379 30 10 JEEE CN(C[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCCC2)C1)S(C)(=O)=O 1729468103 BFBDKDGWJXYPQJ-NRFANRHFSA-N 485.658 2.410 30 10 JEEE COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CN(CC(C)C)CCO2)CC1 1729791265 FPZPNSMZLVCURX-OAQYLSRUSA-N 467.574 2.062 30 10 JEEE C#CCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1740565532 CHQRJDJMQKTFLS-SFHVURJKSA-N 465.558 2.446 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1Cc1ccccc1CN1CCC[C@H]1CO)[C@@H]1CCS(=O)(=O)C1 1740617835 XWMAKXOHSKNUAJ-FGCOXFRFSA-N 499.681 2.423 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2oc(CCC)nc2C)CC1 1740703043 DSMSWRUTBBSLRH-RUZDIDTESA-N 484.601 2.193 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCc2ccc(O)cc2)CC1 1740703399 RAEOGNADKJKWLD-AREMUKBSSA-N 481.597 2.233 30 10 JEEE C=C(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC(S(C)(=O)=O)CC1 1740777464 CNMWIMGJEXPURV-UHFFFAOYSA-N 451.980 2.451 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1740954946 JRYDJMOIKOZTEP-UHFFFAOYSA-N 468.558 2.059 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC(c3cnn(C)c3)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740966025 VJYHMGZLFRHOOL-PUZFROQSSA-N 498.632 2.469 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccn3C)n2C[C@H](N2CCOCC2)C(F)(F)F)C1 1740976739 MVFOVQIGFUCFDL-WMZOPIPTSA-N 454.497 2.328 30 10 JEEE CC(C)C1(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CC(=O)N2CCOCC2)CC1 1741321606 CYLXHTFEWAFCQP-UHFFFAOYSA-N 452.559 2.460 30 10 JEEE CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC[C@H]2CCCCO2)CC1 1746511225 DJTHDONLWMMXAU-JOCHJYFZSA-N 465.602 2.424 30 10 JEEE CNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCCO[C@H](C)C2)C1 1748171546 DRSUTSZEXSXCSV-DENIHFKCSA-N 465.602 2.280 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2CC2(S(C)(=O)=O)CCC2)c1 1748692852 QJDHCMNYQZZEDS-IBGZPJMESA-N 485.610 2.196 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@]1(O)CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1748818318 AFUPBZOOQSXEGF-YGKZAACZSA-N 478.565 2.325 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1CCN(C(C)=O)CC1 1748923002 PZFPNBZMSOATJW-UHFFFAOYSA-N 461.570 2.393 30 10 JEEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2CC(C)(C)N2CCOCC2)CC1 1748994195 CMVNSTPZJGDEPM-UHFFFAOYSA-N 452.603 2.032 30 10 JEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N(C)CC(=O)N(C)[C@@H](C)c1ccccc1 1749033220 BARYTXGDXBKAQG-PKOBYXMFSA-N 454.600 2.251 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1749134489 ZMJNBZNBCVFIKU-HOKHCIIBSA-N 481.645 2.282 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N(C)C[C@@H](c1cccs1)N1CCOCC1 1749663888 BBENFLLJQVSCAO-IBGZPJMESA-N 467.599 2.214 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCC(N(C)C(C)=O)CC1 1749725443 UTQHXZSMUZZKCM-UHFFFAOYSA-N 461.588 2.002 30 10 JEEE CC(=O)N1CCC[C@H](Cn2c([C@H]3COCCN3C(=O)OC(C)(C)C)nnc2N(C)C[C@H](C)C#N)C1 1749821286 GCXNJWQLHRZQPW-YZGWKJHDSA-N 489.621 2.441 30 10 JEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ncc(Cl)cc2Cl)CC1 1760144919 DYRACHCBNXARHH-CQSZACIVSA-N 486.429 2.330 30 10 JEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2cc(F)ccc2OC)CC1 1760155022 NXMUORFXRQWYHW-GOSISDBHSA-N 475.590 2.064 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1ccc(OC)cc1 1760155204 TTXAGVRRLVGOFR-SFTDATJTSA-N 473.599 2.375 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@](C)(O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1760182988 NTHNTOADCNLJFD-YKSBVNFPSA-N 487.626 2.181 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1760209825 IDDGPJBEOZJZEL-RBUKOAKNSA-N 473.574 2.302 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ncnn1C(C)(C)C 1760213066 ORFDHMWWPBSBJV-UHFFFAOYSA-N 465.583 2.206 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(Br)c2)n1Cc1nncn1C 1760215276 USJMRFUSFGRRAX-UHFFFAOYSA-N 454.332 2.356 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccc(S(C)(=O)=O)c3)n2[C@@H]2C[C@H]2C)n1 1760252883 SRPHDCOOZWALQR-DYESRHJHSA-N 468.583 2.412 30 10 JEEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 1760287266 MBCAKOTZQJADIB-HXUWFJFHSA-N 472.590 2.396 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C 1760295339 RSSCOUJIZSAPAE-AZXNSQLWSA-N 493.674 2.444 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1760312910 GLXBVBNYOSASDT-WOJBJXKFSA-N 473.622 2.125 30 10 JEEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC=C(C(C)(C)C)CC1 1760357501 JYKZNPLUFYTCHG-LJQANCHMSA-N 467.636 2.386 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCO[C@H](C#N)C1 1760552835 BYCMSTWLQIVIRD-OAHLLOKOSA-N 496.387 2.046 30 10 JEEE CCNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ncccn2)CC1 1767173592 DCLKRTLSSGKRAV-UHFFFAOYSA-N 459.558 2.096 30 10 JEEE COCC[C@@](C)(O)Cn1c(CC(C)(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1770983916 CXXLZIMQNMDSNK-UZUQRXQVSA-N 456.595 2.031 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@@H]2c2cc(OC)c(O)c(OC)c2)cc1C 1862409623 PDBSZACYAZYKTH-OAQYLSRUSA-N 484.505 2.441 30 10 JEEE COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCN2CCOCC2)cc1O 1862609640 RJGPTMIKBNJUMS-HSZRJFAPSA-N 496.516 2.083 30 10 JEEE CC(C)C[C@@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H](c1ccc(O)cc1)N(C)C 1869933695 MNEPFDLIJTTYOG-UXHICEINSA-N 458.584 2.265 30 10 JEEE C#CCOc1cn(CCc2ccc(S(N)(=O)=O)cc2)c(CN2C[C@H](C)C[C@@H](C)C2)cc1=O 1870561278 GIRIIBNZTPPOBF-RTBURBONSA-N 457.596 2.228 30 10 JEEE C=CCN=c1nc(Nc2ccc(C(=O)NCCN(CC)CC)cc2)[nH]c(N2C[C@@H](C)O[C@H](C)C2)n1 1871705073 SNMZBNXDKQZZRB-RTBURBONSA-N 482.633 2.320 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)COc2nonc2CC(=O)Nc2ccc(OC)cc2)nc1C 1872664549 HSBKKZRSRIBLKM-UHFFFAOYSA-N 487.494 2.385 30 10 JEEE C=CCOc1ccccc1OCc1nnc(SCC(N)=O)n1/N=C/c1ccc(O)cc1O 1874226860 HJEVKRUTUXKYLK-FOKLQQMPSA-N 455.496 2.293 30 10 JEEE CN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1)[C@@H]1CCN(C(=O)OCc2ccccc2)C1 2255613798 FMZKRUFWXMCSAN-GOSISDBHSA-N 468.363 2.202 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC(N(C)C(=O)OCc2ccccc2)C1 2255614963 NMEVTTBUQFXQSW-UHFFFAOYSA-N 468.363 2.295 30 10 JEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N(OCc1ccccc1)C1CNC1 2255747420 KNCKTFOMXIYMNW-UHFFFAOYSA-N 464.418 2.450 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCOC[C@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2256641861 ZEZPFLKABZPNRZ-OLZOCXBDSA-N 453.370 2.311 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2cc(Cl)cc(B3OC(C)(C)C(C)(C)O3)c2)[C@H](O)C1 2267014488 ZJCJLCUSWAJAPJ-DLBZAZTESA-N 466.771 2.349 30 10 JEEE CC(C)(C)OC(=O)NC1(CCNS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)CC1 2267472419 PUCAKJKMXAMXMN-UHFFFAOYSA-N 487.453 2.309 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@](O)(CNC(=O)c2c(F)cccc2B2OC(C)(C)C(C)(C)O2)C1 2281787963 UTHRFAFPAUNFIV-HSZRJFAPSA-N 464.343 2.227 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C 2282005406 PKUWABFTXDEAFQ-LSDHHAIUSA-N 462.400 2.449 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O 2282129853 GMZHHYCDZJTAGS-RTBURBONSA-N 460.380 2.394 30 10 JEEE CC1(C)OB(c2cncc(C(=O)N3C[C@H]4CC[C@H]3[C@@H](NC(=O)C(F)(F)F)C4)c2)OC1(C)C 2282190278 GDYPYBVZBQSORY-RCBQFDQVSA-N 453.270 2.052 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](NS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1(C)C 2282350121 IYHCKKPAUDZSQU-IAGOWNOFSA-N 481.424 2.351 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1[C@H]2C[C@@H]2CN1S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282498601 GYRUDVJCWCFEMR-IJEWVQPXSA-N 499.464 2.117 30 10 JEEE C[C@@H]1CCN(C(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)C[C@H]1CNC(=O)OC(C)(C)C 2282553228 WITNMYZRSAIGOI-HZPDHXFCSA-N 462.400 2.342 30 10 JEEE C[C@H]1CN(C(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)C[C@@H]1CCNC(=O)OC(C)(C)C 2282556608 KNGGTGXAHAQGIQ-HOTGVXAUSA-N 462.400 2.342 30 10 JEEE Cc1nn(C)c(C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C2)c1B1OC(C)(C)C(C)(C)O1 2282558191 GODACUIMEBVKED-GDBMZVCRSA-N 462.400 2.403 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@H](NC(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2282583842 PFLJPUOZQGHHGE-XIRDDKMYSA-N 460.384 2.474 30 10 JEEE C[C@@H](CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 2282607543 KWIFVWKGFQTQQC-FPTDNZKUSA-N 481.424 2.180 30 10 JEEE Cn1nc(C(=O)N2CC[C@H](CNC(=O)OC(C)(C)C)C2(C)C)cc1B1OC(C)(C)C(C)(C)O1 2282620286 CTKNXMFOKUPWJJ-OAHLLOKOSA-N 462.400 2.485 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@H](CCNC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2282674751 OKDRSVUNJXLHRS-INIZCTEOSA-N 461.368 2.137 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CCO[C@@H](CCNC(=O)OC(C)(C)C)C1 2282688592 WQBWUQCSJMPGJO-KRWDZBQOSA-N 463.384 2.080 30 10 JEEE CN(C[C@H]1CCCN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1)C(=O)OC(C)(C)C 2282706112 HWAJAJUXUQSZNF-MRXNPFEDSA-N 460.384 2.495 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1S(=O)(=O)NCCOCCNC(=O)OC(C)(C)C 2282836197 GZNBIECNLOQMRG-UHFFFAOYSA-N 484.424 2.114 30 10 JEEE CC(C)(C)OC(=O)NC[C@H](C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1)[C@H]1CCOC1 2284036491 BONLUOLHQASFNF-HOCLYGCPSA-N 481.424 2.236 30 10 JEEE CO[C@H](C(=O)NCc1ccccc1B1OC(C)(C)C(C)(C)O1)C1CN(C(=O)OC(C)(C)C)C1 2284067197 HMVBBZXGCVMNIR-IBGZPJMESA-N 460.380 2.484 30 10 JEEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCC[C@@H](NC(=O)C(F)(F)F)CC3)cc2)OC1(C)C 2286120045 IRJCEZXQZKDBEO-OAHLLOKOSA-N 476.326 2.208 30 10 JEEE O=c1c(Cl)c(NN=Cc2cc(Br)ccc2O)cnn1[C@@H]1CCS(=O)(=O)C1 2322614589 BCHATEMADSCINN-LLVKDONJSA-N 461.725 2.170 30 10 JEEE CCCNC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1N=Cc1ccc(C(=O)OC)cc1 2329012018 OHUGLGWEEKRKJR-GOSISDBHSA-N 486.598 2.290 30 10 JEEE Cn1cc(C(=O)N[C@@H]2C[C@@H]3C[C@H]2CN(C(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)n1 2359266101 CNYMYRFMMPHGPY-YQQAZPJKSA-N 460.384 2.095 30 10 JEEE Cn1nc(C(=O)N[C@@H]2C[C@@H]3C[C@H]2CN(C(=O)OC(C)(C)C)C3)cc1B1OC(C)(C)C(C)(C)O1 2359266194 JOJNVPQMSKTAAD-HRCADAONSA-N 460.384 2.095 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(=NCCOCCOCCNC(=O)OC(C)(C)C)[nH]1 2362155916 CXAQTHXPIFLOIF-UHFFFAOYSA-N 465.400 2.081 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@@H](CNC(=O)OC(C)(C)C)C1(C)C 2362354246 RDGVGRNDVNANBM-HNNXBMFYSA-N 462.400 2.485 30 10 JEEE Nn1c(N/N=C/c2cc([N+](=O)[O-])ccc2O)nnc1SCC(=O)Nc1nc2ccccc2s1 20527412 GVEAGFDKTFUQAK-DNTJNYDQSA-N 485.511 2.392 30 10 JEEE Nn1c(N/N=C/c2cccc(O)c2)nnc1SCC(=O)Nc1cccc(N2CCCC2=O)c1 20915392 GYQPBNLPEHIOAQ-FSJBWODESA-N 466.527 2.001 30 10 JEEE COCCn1cc(/C=N/Nc2nc(SCC(=O)Nc3nc4ccc(OC)cc4s3)n[nH]2)cn1 59887403 FGFDLTJUHZRDCH-DNTJNYDQSA-N 487.571 2.443 30 10 JEEE N#CCC(=O)NCC1CCN(C(=O)CCCN2C(=O)c3ccc(Br)cc3C2=O)CC1 219542886 ZUGIKLJGZKVGRW-UHFFFAOYSA-N 475.343 2.094 30 10 JEEE CCc1cccc(OC[C@H](O)Cn2c(NN=Cc3ccc(OC)cc3)nc3c2c(O)nc(=O)n3C)c1 606629650 DLTZTNPQRNWYSI-GOSISDBHSA-N 492.536 2.293 30 10 JEEE C#CCC[C@@H](O)CNC(=O)c1cc(I)cc(I)c1O 717900102 QLXJXPIBXVHYPW-SECBINFHSA-N 485.059 2.106 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)N3CCC(NC(=O)c4ccccc4)CC3)cc2C1=O 918812239 HSYZAEDWHRCWKU-UHFFFAOYSA-N 475.501 2.046 30 10 JEEE CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)/C(=C(/C)NCC(=O)NCc3ccco3)C(=O)[C@]12C 1075947965 XZSGHKDSPHMYFB-ZICVCWAASA-N 480.473 2.068 30 10 JEEE CCN(CC)C(=O)CSc1n[nH]c(NN=Cc2ccc(OC)c(OCn3cccn3)c2)n1 1084354340 YBZPMYRRCPEPIB-UHFFFAOYSA-N 458.548 2.453 30 10 JEEE CC(C)CS(=O)(=O)N1CCC(NC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)CC1 1137865131 DNNPSYLGGDHONG-UHFFFAOYSA-N 450.580 2.480 30 10 JEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1 1141411725 JXFKQQHJNLAWBC-MRXNPFEDSA-N 455.602 2.324 30 10 JEEE C#Cc1cccc(N(CC(=O)NC)C(=O)[C@@H]2CC(=O)N(CCOc3ccccc3Cl)C2)c1 1264841259 GVAWLEGYDRPTFK-GOSISDBHSA-N 453.926 2.328 30 10 JEEE C#CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1286314752 HANDFSCKTXGSLL-OAHLLOKOSA-N 486.378 2.371 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccccc1CN1CCC[C@@H]1CO)[C@H]1CCS(=O)(=O)C1 1286382986 BXYBAELFRILWDV-PKTZIBPZSA-N 499.681 2.207 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@@]1(C)CCCO1)[C@H]1CCS(=O)(=O)C1 1286392437 GZZPFZUCZCYMQJ-WMZHIEFXSA-N 458.584 2.073 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@@H]1CCN(CCC)C1)[C@H]1CCS(=O)(=O)C1 1286396120 VKVHOFYJRLGSGM-CTNGQTDRSA-N 473.618 2.367 30 10 JEEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](C)Cc2ccc(OC)c(OC)c2)CC1 1286476810 GDBWONAWQKYYPF-LJQANCHMSA-N 463.586 2.330 30 10 JEEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CCc2ccc(OC)c(OC(F)F)c2)CC1 1286477294 WAKVQLGWUBXDFY-UHFFFAOYSA-N 469.496 2.343 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@](C)(O)c2ccco2)CC1 1286488299 MNJLXBFUAWSRHB-AREMUKBSSA-N 493.564 2.429 30 10 JEEE C=C(C)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 1286591214 FQSUUTFLQJRRTD-UHFFFAOYSA-N 491.614 2.169 30 10 JEEE C=CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1286683090 IVWKFJAHKDFDDE-UHFFFAOYSA-N 481.022 2.299 30 10 JEEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1286705641 BNCSRLYIDTZFHB-SJORKVTESA-N 450.584 2.358 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CCN(C(=O)OCC)CC1 1286784296 COVLJEOQJJPJQS-UHFFFAOYSA-N 477.363 2.288 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2C[C@H](C)N(C)C)C1 1286806419 YATRKMMGYQIWAR-WMZOPIPTSA-N 461.636 2.278 30 10 JEEE CC(C)(C)NC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCOC2)CC1 1287047563 FPIRHTVAOMJPQG-LJQANCHMSA-N 467.574 2.395 30 10 JEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1300391072 FPSYPNZCAAPAOD-QFIPXVFZSA-N 497.625 2.403 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1CCN1CCN(Cc2ccccc2)CC1)[C@@H]1CCS(=O)(=O)C1 1300481620 AUZZCTBFIQSSLO-HSZRJFAPSA-N 498.697 2.020 30 10 JEEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(Cl)s1)[C@@H]1CCS(=O)(=O)C1 1300482702 GZYXPHMKRGWDEJ-FOIQADDNSA-N 485.031 2.320 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@H](CC)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1300483775 NODIBBGJECZDLV-LEWJYISDSA-N 471.627 2.455 30 10 JEEE C#CCN(CCOC)c1nnc(Cc2ccsc2)n1C[C@]1(N2CCOCC2)CCSC1 1300673806 ZYZSLAYZUDXONR-JOCHJYFZSA-N 461.657 2.224 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2CCc2cccc(C(=O)N(C)C)c2)CC1 1300695731 HRRPAZYURRSKEW-UHFFFAOYSA-N 457.582 2.348 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cc(C(CC)CC)no2)CC1 1300711296 WTYRADXPHIFPKE-UHFFFAOYSA-N 481.601 2.420 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H]2CCC(F)(F)C2)CC1 1300715830 FQXMNCZFKOMWIT-VGSWGCGISA-N 465.545 2.331 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2CCc2nnc(C)s2)CC1 1300728604 BGJGEZJIXYUHMM-UHFFFAOYSA-N 463.611 2.432 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCc2nc(C)no2)CC1 1300731905 ILVVRXMPNNLFDA-TZIWHRDSSA-N 483.617 2.487 30 10 JEEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1300745873 OBZHUGLTRHDABN-YOEHRIQHSA-N 478.504 2.443 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1300885644 RJVOWYUZVKDARC-HDAAZOAOSA-N 479.647 2.047 30 10 JEEE CCN(CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H](C)C#N)CCC(F)(F)F 1313812976 AOIJSVNIRRBZQY-GJZGRUSLSA-N 450.531 2.050 30 10 JEEE COCC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1315917367 HKYYEUDRLAGIPW-LJQANCHMSA-N 459.572 2.026 30 10 JEEE COCCN1C[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@H]2CCSC2)CC1=O 1316119772 AGMVWDGQPUIMSA-MOPGFXCFSA-N 470.599 2.165 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1CCCn1cc(CO)nn1 1358876934 TYGLYSBFVFEISE-AWEZNQCLSA-N 474.363 2.348 30 10 JEEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CCc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1358957488 VETFDTJSWNUYQV-XUZZJYLKSA-N 472.611 2.108 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CCCN1CCCCC1=O)[C@@H]1CCS(=O)(=O)C1 1358967414 KBWPOMPCSQDRPA-OAQYLSRUSA-N 499.637 2.195 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2C[C@H]2C(F)(F)C23CCC3)CC1 1359041417 VYYRPDVKBPPFCP-FUHWJXTLSA-N 465.545 2.403 30 10 JEEE C#CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C(=O)OC)CC1 1359057687 GEYDOVQGHCNTNI-SFHVURJKSA-N 493.630 2.342 30 10 JEEE C=C(Br)Cn1c(-c2ccccc2F)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1359081131 PTJLTBZQARQGCD-HNNXBMFYSA-N 463.311 2.466 30 10 JEEE C=C(C)Cn1c(-c2ccc(Br)s2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1359118783 CJXYMDVJKSGHEP-UHFFFAOYSA-N 479.404 2.272 30 10 JEEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(Nc2cccnn2)CC1 1359183741 SKFJUONYPRGVNG-INIZCTEOSA-N 462.624 2.362 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1359298568 DOONHDWMYRQUDC-UHFFFAOYSA-N 451.575 2.180 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCO[C@H](C#N)C1 1359328853 PRZJYAOVFOODTC-HXUWFJFHSA-N 483.550 2.447 30 10 JEEE CC(C)CCN(CCC#N)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCS(=O)(=O)C1 1359926236 GSQZCLNLSFULDP-KRWDZBQOSA-N 459.576 2.126 30 10 JEEE CC(C)CCN(CCC#N)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCS(=O)(=O)C1 1359926237 GSQZCLNLSFULDP-QGZVFWFLSA-N 459.576 2.126 30 10 JEEE C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@H](N1CCN(C(=O)OC(C)(C)C)CC1)C(F)(F)F 1436016233 AHIUYTGZLANYAE-CVEARBPZSA-N 450.502 2.057 30 10 JEEE C[C@H]1CC[C@H](C)N1CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCS(C)(=O)=O)CC1 1493436446 FHYUGHIKSHBZAX-SFTDATJTSA-N 499.685 2.246 30 10 JEEE Cn1ccc(CCn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CCO[C@H](C#N)C2)n1 1503662274 AOCSOIICNLUSEB-IEBWSBKVSA-N 470.578 2.098 30 10 JEEE CSC1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(C)C(=O)[C@H]2C)CCN(C)CC1 1505188860 CSWWUELURGZGJZ-QGZVFWFLSA-N 453.616 2.311 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1507659915 ILUOIQHRVXQPJU-VGOFRKELSA-N 476.986 2.084 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCN(CCc2ccccc2)C1 1507668767 CQLSQGZKIJZMFY-BJKOFHAPSA-N 479.650 2.208 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccccc2F)CC1 1507736420 OOGOFQLCDOYGRJ-XMMPIXPASA-N 455.534 2.083 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1ccc(F)cc1)N(C)C)C1CC1 1507992848 JUJNYYNPYMRETC-RTWAWAEBSA-N 492.621 2.208 30 10 JEEE C=CCN(CC=C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@]1(N2CCOCC2)CCSC1 1508014781 WZYDCMNLSNSPQX-QHCPKHFHSA-N 469.615 2.312 30 10 JEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1508058808 GEPLOVPVCFMFHP-ZCNNSNEGSA-N 476.622 2.320 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1508093817 KFDZGBPLWBGVCB-MJGOQNOKSA-N 473.599 2.265 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CCCN(C)C1CCCCC1 1510172529 DLCMLJJTYLTVNW-KRWDZBQOSA-N 451.641 2.283 30 10 JEEE C[C@@H]1C[C@@H](C)CN(CCCn2c(COc3ccc(C#N)cc3)nnc2N2CCNC(=O)C2)C1 1512002459 DMOSFHVRJVZLJA-RTBURBONSA-N 451.575 2.033 30 10 JEEE C#CC[C@@H](COC)NC(=O)c1ccc(NC(=O)C[C@H]2SC(N3CCCCC3)=NC2=O)cc1 1534146469 PFIWILRZEGEXKJ-RBUKOAKNSA-N 456.568 2.267 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(N2CCCC2)cc1 1539124266 CYFVHZAWJARYLU-QFIPXVFZSA-N 486.642 2.261 30 10 JEEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CC(C)(C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1539205649 JDQJOEXDDGNRPC-XMSQKQJNSA-N 452.621 2.239 30 10 JEEE C#CCN(c1nnc(CCOc2ccccc2)n1C[C@H]1CSCCS1)[C@@H]1CCS(=O)(=O)C1 1539230139 KQYIYVKXQQILIQ-QUCCMNQESA-N 492.692 2.375 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1CCN(C(C)=O)CC1 1539232587 JAAAOGQHXURXPZ-UHFFFAOYSA-N 466.973 2.193 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H](OC)c2ccc(F)cc2)CC1 1539430537 KXYCTWBQIZDOJG-URXFXBBRSA-N 457.550 2.212 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@H](OC)[C@H](C)CC)CC1 1539451970 HHTBLNJAZZOOIP-QHAWAJNXSA-N 490.649 2.403 30 10 JEEE C#CCN1CCN(c2nnc(CC(C)C)n2Cc2ccccc2CN2CCC[C@H]2CO)CC1 1539452324 OXTFGDZDSUVYOA-DEOSSOPVSA-N 450.631 2.237 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OC)n2C[C@H]2CCCN2CC)CC1 1539488595 BIQXIVMKCYQSHZ-OAQYLSRUSA-N 480.613 2.316 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1539490749 HMQVMQFDVHQBIQ-ZIAGYGMSSA-N 454.478 2.448 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(OCC)CCCC1 1539668695 CGGGUNDCSOVXGH-GOSISDBHSA-N 455.625 2.363 30 10 JEEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1539706774 SSKRJCQUXZCJKP-FGTMMUONSA-N 460.579 2.125 30 10 JEEE C=CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc(F)cn1 1540196189 SRHNAVCXKAYDLD-UHFFFAOYSA-N 459.551 2.459 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1540865358 COWOBWUBRUVBGT-HOTGVXAUSA-N 476.331 2.432 30 10 JEEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1540872584 UCBHMVFFMYOGBD-UHFFFAOYSA-N 478.507 2.043 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2([S@](C)=O)CC2)C1 1540886290 ZKBUFYCVWGNJDP-ZOKDDAQRSA-N 464.613 2.041 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCOC[C@@H](C3CCC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1540908962 SPRGZAUFXGTSSO-REWPJTCUSA-N 482.647 2.172 30 10 JEEE CC(=O)Nc1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@H](C)CS(C)(=O)=O)cn1 1541011267 AWRKHWKJIGCHBJ-OAHLLOKOSA-N 467.555 2.088 30 10 JEEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(Cc2cscn2)CC1 1548314409 DVWZBACMDXZYDE-UHFFFAOYSA-N 471.612 2.030 30 10 JEEE Cc1nn(C)cc1C(=O)N1C[C@@H](C(N)=O)C2(CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)C1 1548375072 AVACBRKQGADANU-IBGZPJMESA-N 474.487 2.463 30 10 JEEE Cc1cc(C)c2[nH]cc(C(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)c(=O)c2c1 1558909445 HXABFXIISCXNNQ-UHFFFAOYSA-N 450.520 2.163 30 10 JEEE C#C[C@@H](NS(=O)(=O)c1cc2c(cc1Br)n(C)c(=O)n2C)c1ccc(F)cc1 1561590148 DOZWCIMISYOCCX-CQSZACIVSA-N 452.305 2.431 30 10 JEEE C#CCCCn1c(-c2cccc(Br)c2)nnc1N1CCN(CC(=O)NCCOC)CC1 1587812819 COLQACWLHNVTAM-UHFFFAOYSA-N 489.418 2.006 30 10 JEEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(S(C)(=O)=O)CC1 1587862667 ZCIJOEDRRKYHHD-SFHVURJKSA-N 481.619 2.013 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CCCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1588034498 HGTLCYSLEIXCHR-QPPBQGQZSA-N 472.611 2.190 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccnc2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1588210568 JYNKLLZGEYBESZ-LEWJYISDSA-N 452.584 2.007 30 10 JEEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCc2ccc(Cl)c(OC)c2)CC1 1588864983 ODENISFIAMYQLI-UHFFFAOYSA-N 456.978 2.060 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC)n2Cc2cccc(CN3CCO[C@H](C)C3)c2)CC1 1588947775 WMLPIDFGWZGUAW-HXUWFJFHSA-N 464.614 2.075 30 10 JEEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1589008416 VEXXVDVNNROLTB-IBGZPJMESA-N 487.651 2.306 30 10 JEEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](O)(c2ccccc2F)C1 1589296844 XYRXJYNYDSGZRV-ACJLOTCBSA-N 488.383 2.034 30 10 JEEE C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](CC(C)C)C1 1589404068 GRPKFOFUKMENCA-HZPDHXFCSA-N 476.441 2.392 30 10 JEEE C=C(Br)Cn1c(N2C[C@H](C)O[C@@]3(CCOC3)C2)nnc1[C@]1(OCC)CCOC1 1589459693 BSHRTKQUCYMQSL-SNRMKQJTSA-N 457.369 2.223 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCCC(=O)N(C)C)C1 1595721417 FZINFTMIAOJXMZ-FQEVSTJZSA-N 468.606 2.102 30 10 JEEE CCn1nc(-c2nnc(N(C)[C@H](C)CC#N)n2CC(C)(C)C(=O)NC)c2ccccc2c1=O 1615895904 IBESDHXSSYOULQ-OAHLLOKOSA-N 450.547 2.185 30 10 JEEE Cc1nn(C)c(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)c2)c1C#N 1617078815 HSQVHWDCFQERMI-RYUDHWBXSA-N 451.936 2.304 30 10 JEEE CN(C)C(=O)CC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCOC2=O)CC1 1617574990 CGNVDJZICUFRFX-UHFFFAOYSA-N 465.558 2.354 30 10 JEEE Cn1ccc(CCn2c(COc3ccc(Br)cc3)nnc2N2CCO[C@H](C#N)C2)n1 1618424239 HOPABLRTHCQKJH-GOSISDBHSA-N 472.347 2.325 30 10 JEEE COc1cc(Cl)ccc1-c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCNS(C)(=O)=O 1619110012 AWGOTLMBWJVBNH-IBGZPJMESA-N 452.968 2.286 30 10 JEEE COCC(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCOC[C@@H]2C)CC1 1619556832 CXYWSJIMTGNTIM-AZUAARDMSA-N 482.585 2.133 30 10 JEEE C=C[C@@H](C)ONC(=O)Cn1c(=O)c2c(ncn2Cc2ccccc2)n(Cc2ccccc2)c1=O 1628287109 MXOHGSXEXVJBJL-GOSISDBHSA-N 459.506 2.079 30 10 JEEE C=CCn1c(S)nc2cc(C(=O)N(C)[C@H](C)c3cccc(S(N)(=O)=O)c3)ccc2c1=O 1632524685 QAJVJLOELNZOQB-CYBMUJFWSA-N 458.565 2.352 30 10 JEEE N#Cc1cc(Cl)ccc1S(=O)(=O)NC1CCN(S(=O)(=O)Cc2ccccc2)CC1 1660357895 BGWUBXKQFOSHKL-UHFFFAOYSA-N 453.973 2.484 30 10 JEEE C=C(Cl)C[C@H](NS(=O)(=O)c1cnc2c(c1)c(C)nn2C1CCOCC1)C(=O)OCC 1670887665 WIHJKLIFIZHAGJ-KRWDZBQOSA-N 456.952 2.444 30 10 JEEE C#CCn1ccc(CN(CCOC)C(=O)NC[C@@H](c2ccccc2Cl)N2CCOCC2)n1 1675978481 VNTRVGRKWUKFGP-QFIPXVFZSA-N 459.978 2.401 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CCc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1689992126 HWWYWMLMMRRSHM-OAQYLSRUSA-N 465.579 2.142 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2C[C@H]2CCC(=O)N2)CC1 1690117571 MMAYRESHBGYXSO-OAQYLSRUSA-N 450.587 2.404 30 10 JEEE C#CCSCCn1c(N2CCSC3(CCOCC3)C2)nnc1[C@]1(OCC)CCOC1 1690185962 IVAQNZVZUJIVJY-NRFANRHFSA-N 452.646 2.399 30 10 JEEE C=C(Br)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@](C)(N2CCOCC2)C1 1690232590 QBANDXVPRDZYMN-FQEVSTJZSA-N 464.412 2.349 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)CCN1CCOC(C)(C)C1 1690234902 QQAKFDMDAHGYRG-VQTJNVASSA-N 460.623 2.042 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(C)C(=O)C1 1690235827 FENWMIPRNGNAGH-XLIONFOSSA-N 472.977 2.121 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C(C)(C)C)C1 1690238687 MNAMIVJEKNWZAS-MHORFTMASA-N 455.625 2.121 30 10 JEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(CC)s1)C1CC1 1690545224 LYIJHOOIKFXNJP-GOSISDBHSA-N 451.618 2.438 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2([S@](C)=O)CCC2)C1 1690689674 JTNFHZINGBVAQF-DRKIFQHWSA-N 478.640 2.431 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCCc2ccccc2)nnc1N1CCN(C(C)=O)C[C@H]1C 1690726961 RKHYZXFRPMEHOC-LJQANCHMSA-N 459.616 2.111 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(Cl)cc2)nnc1N1CCCN(C(C)=O)CC1 1690730158 YUIFKEVNERHGTQ-UHFFFAOYSA-N 482.006 2.170 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H]1CCc2ccccc21 1691003017 AQMWAOGWTCRKOQ-SLYNCCJLSA-N 472.615 2.327 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1691003368 GKLCZUCGNKKZDC-KNKQGSTJSA-N 481.601 2.329 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1CC1(O)CCC1 1694348780 CMTJTYOEMTUREA-UHFFFAOYSA-N 451.575 2.310 30 10 JEEE C#CCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCN(CC(F)F)CC1 1705536168 BURZGMLOXJPTDF-UHFFFAOYSA-N 471.600 2.443 30 10 JEEE C#CCCCn1c(Cc2ccsc2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1705536387 GBFUDQOTCDZQRN-UHFFFAOYSA-N 453.572 2.401 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1CCCOC1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1705564383 AZAYUSMXQCZWIM-GOSISDBHSA-N 458.588 2.101 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCCc1ccnc(C(C)(C)C)n1)[C@H]1CCS(=O)(=O)C1 1705564421 BEKLOOFJPXGSMJ-FQEVSTJZSA-N 496.641 2.026 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1705575625 RAYJTUNMSBGENJ-WMZHIEFXSA-N 497.621 2.239 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCc2ccncc2)CC1 1705632650 XQJXFFRFNLKNPG-UHFFFAOYSA-N 463.973 2.254 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2Cc2nccn2C(F)F)CC1 1705635363 WZIFOWSTDYQGNS-UHFFFAOYSA-N 479.333 2.441 30 10 JEEE C#CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1705656850 LGQJDRSWGJKVRI-OAQYLSRUSA-N 468.627 2.063 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cnn(Cc2ccccc2)c1 1705668753 SPGKDCNIMFYUOE-FDDCHVKYSA-N 467.599 2.174 30 10 JEEE C=C(Br)Cn1c(N2CC[C@]3(CCS(=O)(=O)C3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1705692282 FFLTZXOFFJXOHU-RBUKOAKNSA-N 489.436 2.242 30 10 JEEE C=C(C)COCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1705736228 OHFQBTMVQZZVNJ-GOSISDBHSA-N 465.558 2.491 30 10 JEEE C=C(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccn2)CC1)c1ccccc1 1705741119 GTTQRXNSESTVRJ-LJQANCHMSA-N 467.599 2.323 30 10 JEEE C=CCCOCCn1c(-c2ccccc2F)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1705827625 MHPKHTZXJOUQIM-IBGZPJMESA-N 493.605 2.308 30 10 JEEE C=CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H](C)CN1CCOCC1)C1CC1 1705849990 BUKCYDVDMMCUBY-SFHVURJKSA-N 459.616 2.472 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CCC1CC1 1706884111 AXPWAFRPWUMZIV-SFHVURJKSA-N 471.631 2.272 30 10 JEEE CNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCN1CCOC(C)(C)C1 1711286974 CKCHQNUOUXFIKJ-UHFFFAOYSA-N 453.591 2.136 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1cc(Br)ccc1F 1722277679 OHQWZTMXAFSUFV-CHWSQXEVSA-N 472.384 2.491 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccccc1CN1CCC[C@@H]1CO 1722305963 NAKSAMLBSCJNDC-GOUWZUTHSA-N 467.614 2.465 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCN(CC)C1CC1 1722394777 FJXBXTVJOPHKON-UHFFFAOYSA-N 467.643 2.494 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@@]2(O)CCSC2)CC1 1722449501 KMIMZRSJMZXTFH-VWLOTQADSA-N 483.638 2.308 30 10 JEEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 1722463372 ZZZXXNSTDFZNBD-GGAORHGYSA-N 495.697 2.447 30 10 JEEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(NS(C)(=O)=O)CC1 1722529573 WLJDDPDTLQAZDN-UHFFFAOYSA-N 487.424 2.146 30 10 JEEE C=C(Cl)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(CC(=O)N(C)C)CC1 1722554637 FTZFTSMGAPNCFF-SFHVURJKSA-N 496.056 2.355 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@]1(C)CN(C)C1=O 1722680200 BBBASYYNVWSOKS-SAHWJRBASA-N 462.595 2.166 30 10 JEEE C=CCOc1ccccc1Cn1c(N2CC(=O)N(C)C[C@H]2C)nnc1[C@]1(OCC)CCOC1 1722708577 YNDFHHQUSPNAFR-KOSHJBKYSA-N 455.559 2.210 30 10 JEEE Cc1nc(C[C@H]2CCCN(c3nnc(-c4cccc(C#N)c4)n3CC(=O)NCC(F)F)C2)no1 1725434701 GSHVVSTVWSKIIX-MRXNPFEDSA-N 470.484 2.349 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1740621780 PAVXEWVAGDBQNM-IAGOWNOFSA-N 476.603 2.155 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC1(O)CCOCC1 1740639019 RKMMCFUDUVPOMV-FQEVSTJZSA-N 471.602 2.397 30 10 JEEE C#CCN(CC)c1nnc(-c2ccccc2Br)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1740666270 JCVAPQSBLVGOTC-OAHLLOKOSA-N 466.405 2.449 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2CCc2ccc(S(C)(=O)=O)cc2)CC1 1740702377 NCHKAGDRUUCHMT-SFHVURJKSA-N 471.627 2.404 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCC(=O)N2CCCCCC2)CC1 1740704844 UPPSZGZJUIHFTA-UHFFFAOYSA-N 465.602 2.042 30 10 JEEE C=C(Br)Cn1c(COc2ccc(F)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1740748132 HEZFLKGDAOZNJA-KRWDZBQOSA-N 468.327 2.246 30 10 JEEE C=C(Br)Cn1c(N2CC[C@H](N3CCCC3=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1740749591 ZURRDGVEYOGSKW-JXFKEZNVSA-N 468.396 2.428 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)[C@H]1CCOC1 1740989859 AYKXGCLZNIYZDF-KRWDZBQOSA-N 486.598 2.062 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H]1c1ccc(OC)cc1 1740990740 DWCAEVSDGUGTBV-RBUKOAKNSA-N 459.572 2.180 30 10 JEEE CO[C@](C)(Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1)C1CC1 1748367546 DAHVTFVEUZAHPG-FDDCHVKYSA-N 472.615 2.397 30 10 JEEE C#CCN(c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@](C)(O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1748808743 MQCFLAHMXDCHSC-NTKDMRAZSA-N 482.610 2.369 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCc1ccc(F)cc1Cl)[C@H]1CCS(=O)(=O)C1 1748812639 YKYNFYXALSKUNS-SFHVURJKSA-N 476.965 2.341 30 10 JEEE COc1ccccc1O[C@H](C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(C#N)C1 1749074309 DKMQCBDBOJDHLO-JLHGSKIFSA-N 476.603 2.494 30 10 JEEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1749114629 DPTWJIPVPLPMRM-PASDCYSWSA-N 457.369 2.295 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1749115027 KNHBDYMXNDISBB-SBHAEUEKSA-N 458.607 2.380 30 10 JEEE C=C(Cl)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CCOC)[C@@H](C)C1 1749271076 MOVQFCLIMZWMKX-ZWKOTPCHSA-N 485.029 2.496 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H]3CCCCO3)nnc2N2CCN(CC(=O)N(C)C)CC2)cc1 1749683710 DFDMXVIHEXAGGB-QFIPXVFZSA-N 468.602 2.343 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCSC[C@H]1C 1749687489 UKNKPQQAUGNLKT-HZPDHXFCSA-N 451.618 2.443 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2ccc(F)cc2C)C1 1749696741 DEXAFALIYATYHN-LPHOPBHVSA-N 451.568 2.360 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccn3)n2C[C@@H](N2CCOCC2)C(F)(F)F)C1 1749703959 SKMBOTRWFLARGB-SJLPKXTDSA-N 452.481 2.385 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1749736858 QUVMMSOWKQMKEN-HSZRJFAPSA-N 478.590 2.383 30 10 JEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@]1(C)CCO[C@H]1C1CC1 1760172958 DXAQOIAJRRISHR-REWPJTCUSA-N 457.600 2.470 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1760181680 ZRSQGPJVTVSPKF-LNLFQRSKSA-N 463.579 2.134 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1ccccc1COC)[C@H]1CCS(=O)(=O)C1 1760189299 UAYATXKGRPGESX-LEWJYISDSA-N 458.584 2.341 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CC(C)(C)N[C@H](C)c2ccccc2)CC1 1760251613 DFCRJIYIOSGDMW-HXUWFJFHSA-N 451.619 2.301 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1760256069 KZLVXJAPIAEYID-MRXNPFEDSA-N 465.982 2.318 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CCC(=O)N2CCCCCC2)CC1 1760271543 BGYJEWZPBAEWDV-UHFFFAOYSA-N 477.613 2.022 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1760526367 LZBJCVYRGBXZSS-HXUWFJFHSA-N 454.575 2.081 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCN(C(=O)c2ccccn2)CC1 1760552079 BDFLGWRRQUCCQC-UHFFFAOYSA-N 484.557 2.042 30 10 JEEE COc1ccccc1-c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@H](C)N(C)C 1770407384 BJWCLWTXGOVQJZ-ZWKOTPCHSA-N 461.574 2.281 30 10 JEEE N#CCC1CCN(c2nnc(C(=O)N3CCCC3)n2CCS(=O)(=O)c2ccccc2)CC1 1770751279 FBNKZQJMGSNKHU-UHFFFAOYSA-N 456.572 2.118 30 10 JEEE COCCN(C(=O)C1CCN(S(C)(=O)=O)CC1)[C@@H](C#N)c1cccc(Br)c1 1857960220 GHXKXQQLQBJJPI-KRWDZBQOSA-N 458.378 2.160 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)[C@H](C)Oc3cccnc3NC(=O)N3CCN(C)CC3)cc21 1858828726 AUPHOWMAIGLNLL-KRWDZBQOSA-N 479.537 2.423 30 10 JEEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCNC(C)=O)[C@@H]2c2ccc3c(c2)OCCO3)c1 1862704719 HOPNOGGQNWEECO-OAQYLSRUSA-N 452.463 2.181 30 10 JEEE COc1cc([C@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2CCNC(C)=O)cc(OC)c1O 1862742540 FBRNFAOFIDVJNI-IBGZPJMESA-N 485.449 2.032 30 10 JEEE C=CCOc1ccccc1[C@@H]1C(C(=O)N(CCN)C(C)=O)=C(N)Oc2c1c(CCC)nn2CC 1865222642 KDGGXLJEFJXDJW-FQEVSTJZSA-N 467.570 2.449 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)N(C)CCCC)cn1CCN1C(=O)CSC1=O 1870514490 FYOQRPJQESFKFZ-UHFFFAOYSA-N 490.626 2.355 30 10 JEEE C=CCn1cc(OCC(=O)NC[C@H]2CCCO2)c(=O)cc1CNc1cc(OC)cc(OC)c1 1870983379 SQRVYIXBRZRRPD-LJQANCHMSA-N 457.527 2.338 30 10 JEEE NC1=C(c2nc3c(s2)CCc2ccccc2-3)C(=O)CN1Cc1ccc(S(N)(=O)=O)cc1 1872796279 SPIBQMMCGWYOFY-UHFFFAOYSA-N 452.561 2.268 30 10 JEEE C=CCn1c(C(=O)NCCc2cnc[nH]2)cc2c(N3CCN(c4ccccn4)CC3)ncnc21 1873594180 ODJSSGHJYHUDOQ-UHFFFAOYSA-N 457.542 2.035 30 10 JEEE COc1cc(C=CC(=O)OCC(=O)Nc2sc3c(c2C(N)=O)CCC3)ccc1OCC#N 2040416817 FIHUCLGBSDMHAG-UHFFFAOYSA-N 455.492 2.442 30 10 JEEE N#Cc1ccccc1S(=O)(=O)OCc1ccc(C(=O)N2CCN(c3ncccn3)CC2)cc1 2087918729 LTPZGNQBSWZBHT-UHFFFAOYSA-N 463.519 2.216 30 10 JEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)NC1CC(B2OC(C)(C)C(C)(C)O2)C1 2124539120 QPLKRWLRYAMPAS-GPANFISMSA-N 472.413 2.152 30 10 JEEE CC(C)(C)OC(=O)N1Cc2nncn2C[C@H]1C(=O)N1CCC[C@@H](B2OC(C)(C)C(C)(C)O2)C1 2180982501 HECXFNIOBBVFLP-CVEARBPZSA-N 461.372 2.482 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CC[S@@](=O)(=NC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C1 2255637614 FDGCOPJCUAUPGZ-VEWZGRNOSA-N 471.410 2.348 30 10 JEEE C[C@H](NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)C1(O)CN(C(=O)OC(C)(C)C)C1 2255877147 HZUUQDWZTAELBS-ZDUSSCGKSA-N 452.382 2.147 30 10 JEEE Cc1cc(CNC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)O)sc1B1OC(C)(C)C(C)(C)O1 2256618241 OWQONERSJMXTAR-UKRRQHHQSA-N 454.398 2.246 30 10 JEEE CC(C)(C)OC(=O)N[C@@]1(CO)CCCN(C(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)C1 2267288307 ALOQLMFAFBAKMB-QFIPXVFZSA-N 450.341 2.071 30 10 JEEE CC1(C)OB(c2ccc(S(=O)(=O)N(OCc3ccccc3)C3CNC3)cc2F)OC1(C)C 2267363209 FXSLQCVOZCHDHB-UHFFFAOYSA-N 462.352 2.219 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]1CNS(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2267377064 BGFCBTLKYHKJAQ-JKSUJKDBSA-N 466.409 2.425 30 10 JEEE C=C(CS(=O)(=O)N1CC[C@@H]2OCCN(C(=O)OC(C)(C)C)[C@H]2C1)B1OC(C)(C)C(C)(C)O1 2267463818 KQBAVVJQXOBQNL-IRXDYDNUSA-N 472.413 2.214 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C2(CCC2)C1 2268718314 XGOCTYMXMSSFSX-CYBMUJFWSA-N 464.397 2.235 30 10 JEEE CC1(C)OB(c2ccnc(NC3(C(N)=O)CCN(Cc4ccccc4)CC3)c2F)OC1(C)C 2280757897 YXDVXDFDIBRSSR-UHFFFAOYSA-N 454.355 2.452 30 10 JEEE CC(C)(C)OC(=O)NCCc1nc(NC(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)n[nH]1 2281938589 PTIKPJUWYUISCK-UHFFFAOYSA-N 457.340 2.423 30 10 JEEE Cc1nn(C)c(C(=O)NC2CC3(C2)C[C@@H]3NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2281982005 KKLPFMYXQJDKAK-VZSHHBOJSA-N 460.384 2.203 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)[C@@]2(CCOC2)C1 2282005585 QETIQWOASIMVET-PEBXRYMYSA-N 479.408 2.341 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 2282533242 IYWDGIWTXWVZIE-HZPDHXFCSA-N 460.384 2.048 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)Nc2nnc(CNC(=O)OC(C)(C)C)o2)n1 2282541976 GAFSHFUOQMAGIH-UHFFFAOYSA-N 459.312 2.349 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@]2(CNC(=O)c2occc2B2OC(C)(C)C(C)(C)O2)C1 2282555077 NLBBYMVZFRIQGR-NPMXOYFQSA-N 462.352 2.335 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)[C@@H](CC(F)F)C1 2282577576 GVVFIIIRQYTOSU-ZDUSSCGKSA-N 470.326 2.426 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]3C[C@H]2[C@H]1[C@@H]3NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2282583869 PPZCQTCOUBWKIB-CTTHAOKLSA-N 458.368 2.083 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C(F)(F)CC1 2282584971 YAJRTCIDXHQZGL-CQSZACIVSA-N 470.326 2.474 30 10 JEEE Cc1c(C(=O)NC[C@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282592421 CRNCNFQEIBIWDR-WNSKOXEYSA-N 460.384 2.015 30 10 JEEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCCN1C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2282614595 JUHABZZWFHEWSN-CABCVRRESA-N 463.388 2.022 30 10 JEEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C(C)(C)C1 2282683693 GXVVFGMNYBIQFT-CQSZACIVSA-N 463.388 2.022 30 10 JEEE CC(C)(C)OC(=O)N[C@@]12C[C@@H]1CN(C(=O)c1cc(B3OC(C)(C)C(C)(C)O3)c(O)cc1O)C2 2282913865 WQEDIFHKHZSKRG-JCQPUDPBSA-N 460.336 2.136 30 10 JEEE CC(C)(C)OC(=O)N=c1[nH][nH]cc1C(=O)NCCc1ccccc1B1OC(C)(C)C(C)(C)O1 2283942087 DWJVOBVTYNOWJT-UHFFFAOYSA-N 456.352 2.450 30 10 JEEE COc1ccc(OC)c([C@H]2C(=C(O)c3ccncc3)C(=O)C(=O)N2CCCN2CCOCC2)c1 2296091401 NSDWQOWFQBNWOT-QFIPXVFZSA-N 467.522 2.243 30 10 JEEE Cc1ccc(CNC(=O)[C@H]2C[C@@H](O)CN2C(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2296181539 AABXUCBLQSMVOT-IEBWSBKVSA-N 460.380 2.281 30 10 JEEE C[C@]12CC[C@H]3[C@H](CC[C@]4(O)C[C@H](O)CC[C@]34C=NCCCO)[C@]1(O)CC[C@H]2C1=CC(=O)OC1 2297748585 ZPYOXVKJNQBTTC-OPEOPILASA-N 461.599 2.153 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCCN(C(=O)OC(C)(C)C)C(C)C)n1C 2337399075 ZAGZOGSEVNUVEO-UHFFFAOYSA-N 450.389 2.403 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H]3C[C@H]2CN(Cc2ccccc2)C3)n1C 2362330558 BGOJFBCJHMYEMG-PMACEKPBSA-N 450.392 2.374 30 10 JEEE CN(CC1CCN(C(=O)OC(C)(C)C)CC1)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2362336379 DVLBEJDDELZTBB-UHFFFAOYSA-N 462.400 2.438 30 10 JEEE COC[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)N(C(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C1 2362576554 KRTFSXXPNSHFQS-CABCVRRESA-N 481.424 2.444 30 10 JEEE COc1nc(O[C@H]2CN(C(=O)OC(C)(C)C)[C@@H]3COC[C@@H]32)ccc1B1OC(C)(C)C(C)(C)O1 2365374786 MYVWKVMPEIFBKL-UAGQMJEPSA-N 462.352 2.403 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)n1C 2366856306 HPJILYNPIWWDIB-JYJNAYRXSA-N 460.384 2.155 30 10 JEEE C=CCn1c(C)cc(C(=O)COC(=O)[C@@H](NS(=O)(=O)c2ccc(C)c(C)c2)[C@H](C)O)c1C 9084136 AYLGKNRZILNZRP-AVRDEDQJSA-N 462.568 2.362 30 10 JEEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN([C@@H](C(=O)OC)c3ccc(Cl)cc3)CC2)c1 25154957 FQANKXDPXXNZRO-OAQYLSRUSA-N 491.997 2.476 30 10 JEEE COCCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(C)c2N2CCSCC2)SC1=S 33392904 OKCCYNWFWFZSRR-WJDWOHSUSA-N 464.638 2.356 30 10 JEEE C=CCn1cc(/C=N/Nc2nnc(SCC(=O)Nc3ccc(OC(F)(F)F)cc3)n2N)cn1 59830108 GKIJUUNVZXIQQH-LIMNOBDPSA-N 481.464 2.450 30 10 JEEE N#C[C@@H]1C(=O)Nc2nc(N3CCC(C(N)=O)CC3)[nH]c(=O)c2[C@@H]1c1ccc(OCc2ccccc2)cc1 72443838 ONPXGLJDEGBMBQ-LEWJYISDSA-N 498.543 2.274 30 10 JEEE C[C@H](C[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)C(C)(C)O 256501475 IJRBORPEVKCEQD-QNXGXHIJSA-N 494.669 2.100 30 10 JEEE biogenic CO[C@H](O)C(=O)[C@@]12OC(C)(C)O[C@@H]1C[C@H]1[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]12C 605696136 UXVHXUWPMPKQEY-KYGXKAAMSA-N 482.520 2.339 30 10 JEEE C=CCc1cc([N+](=O)[O-])ccc1OS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 748806563 OQFRYWAZSXOTAN-UHFFFAOYSA-N 468.509 2.112 30 10 JEEE CC#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](CCO)C(=O)O 757210931 NEYNUOHILHQETN-VXKWHMMOSA-N 450.491 2.259 30 10 JEEE O=C(NCC#CC(=O)N1C[C@@H]2COCC[C@@]2(C(=O)O)C1)OCC1c2ccccc2-c2ccccc21 757488341 ZITIHSSOZKYWDY-DNOBIOAJSA-N 474.513 2.478 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)N3CCC(C(=O)N4CCC[C@@H](C)C4)CC3)cc2C1=O 918812361 MNEXIGIFRJMAAZ-QGZVFWFLSA-N 481.549 2.123 30 10 JEEE COc1ccc(CNC(=O)CSc2nnc(NN=Cc3c(C)nn(C(C)C)c3C)n2N)cc1 1084288437 NTNLEGPUJNOMHC-UHFFFAOYSA-N 471.591 2.249 30 10 JEEE C=CCNC(=O)CNC(=O)[C@H](NC(=O)OC(C)(C)C)c1cc(Br)ccc1OC 1137841011 NZMYIXXAIALSQS-MRXNPFEDSA-N 456.337 2.442 30 10 JEEE C#C[C@@H](CC)NC(=O)CCNS(=O)(=O)c1cc(Br)ccc1Br 1156824416 CXISXNVVHBYFKH-NSHDSACASA-N 452.168 2.408 30 10 JEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CSCCS1 1286365889 MGGQNKKNLFFNCC-MRXNPFEDSA-N 451.643 2.113 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(OCC)CCCC1)[C@H]1CCS(=O)(=O)C1 1286384094 PICWOIBTYHXBEW-RDPSFJRHSA-N 494.658 2.295 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H](C)Cc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1286389720 PKWYTILMICFNOC-QUCCMNQESA-N 480.594 2.249 30 10 JEEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1CCn1cc(C)cn1)[C@@H]1CCS(=O)(=O)C1 1286396579 QRDWLCPIUBSYNJ-OAQYLSRUSA-N 482.610 2.306 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@@]1(O)CCS(=O)(=O)C1 1286424037 STBUNRKIKLJLDM-VWLOTQADSA-N 494.573 2.130 30 10 JEEE C#CCN(CC)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1286440094 MYZRKUCVCMAVAH-QGZVFWFLSA-N 461.588 2.093 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2Cc2cnnn2C)CC1 1286486776 BAGOLAQFULJWFC-LJQANCHMSA-N 476.585 2.178 30 10 JEEE C#CCSCCn1c(-c2ccc(Br)s2)nnc1N1CCN(C(=O)COC)CC1 1286498326 FIKWIYWEKHEUTN-UHFFFAOYSA-N 484.445 2.431 30 10 JEEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1286544811 NUDPADJGMDLFJD-LBPRGKRZSA-N 475.438 2.013 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1286553436 QCKSMTZBPKOQOQ-QSUVIHHLSA-N 450.580 2.368 30 10 JEEE C=C(C)COCCn1c(-c2ccc(C)o2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1286603624 VKWIPVGYRQFYNW-GHTZIAJQSA-N 456.591 2.428 30 10 JEEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCc2sccc2C1 1286710811 DHRLTAWGCNPJIL-GOSISDBHSA-N 481.644 2.218 30 10 JEEE C=CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1286827591 UPSYWWNPPANZEM-UHFFFAOYSA-N 453.616 2.383 30 10 JEEE C=CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(CCOC)C(=O)C1 1286832027 OAJJLXHXOOHRFW-LJQANCHMSA-N 459.572 2.005 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCn1c(O)nc2ccccc21 1292054855 AYLYUDJGDYRNAH-QFIPXVFZSA-N 454.510 2.394 30 10 JEEE CN(C)CC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(c2ccccc2C#N)CC1 1298070919 HKFYREUQDYOCIR-HXUWFJFHSA-N 464.618 2.405 30 10 JEEE C#CCCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1300344647 GPGNBEBZUWLOCI-UHFFFAOYSA-N 453.515 2.432 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ccccc1CN(C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1300493860 WPBBRRBBQGNKRA-JOCHJYFZSA-N 493.637 2.250 30 10 JEEE C#CCN(c1nnc(CC2CCCC2)n1CC1CCN(C(=O)OC)CC1)[C@H]1CCS(=O)(=O)C1 1300502814 YATWLCCPSVXBTB-FQEVSTJZSA-N 477.631 2.116 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(COc4ccccc4)o3)n2CC(=O)NC(C)C)CC1 1300690110 BZGNVWBOKTZSKA-UHFFFAOYSA-N 462.554 2.397 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CSc3ccccc3OC)n2C[C@@H](C)N(C)C)CC1 1300732892 QSIOREKUPZFKAR-GOSISDBHSA-N 470.643 2.495 30 10 JEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](c2ccc(OC)cc2)C1 1300733398 JUAJQLSPPGFHOC-SJLPKXTDSA-N 463.629 2.257 30 10 JEEE C#CCSCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1300741384 VLSLZDQGVUOBGC-QHCPKHFHSA-N 496.681 2.167 30 10 JEEE C=C(Br)Cn1c(N2CCCN(Cc3cnn(C)c3)CC2)nnc1[C@]1(OCC)CCOC1 1300862607 BBEBGVWQOCWJMQ-NRFANRHFSA-N 494.438 2.285 30 10 JEEE C=CCN(CC=C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@]1(C)COCCO1 1301375912 SVHCXKJICRXGQE-JOCHJYFZSA-N 461.588 2.179 30 10 JEEE COCCN(CCC#N)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@]1(O)CCO[C@@H]1C 1301806303 BTAGBUDVYUFYHP-WZONZLPQSA-N 451.531 2.037 30 10 JEEE CCc1nc(C)c(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)o1 1306014022 GMEAERBXBZLRHY-KRWDZBQOSA-N 470.555 2.259 30 10 JEEE CCOc1ccc(S(=O)(=O)NCC(=O)O[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)cc1 1317785634 AVZVPQYVJWJLCO-CYBMUJFWSA-N 477.564 2.356 30 10 JEEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(CCOC)[C@H](CC)C1 1358927000 JEDVUQGSMLJFJP-LJQANCHMSA-N 463.586 2.152 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1CCN(C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1358960737 KTJPUBRHYHBVAK-OAQYLSRUSA-N 450.568 2.103 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1Cc1c(CC)noc1C)[C@H]1CCS(=O)(=O)C1 1358966584 RPZTWKXHHAJYQY-IBGZPJMESA-N 494.577 2.263 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCc2ccc(N(C)C)cc2)CC1 1359047360 DCCQFFOUDQGMOP-JOCHJYFZSA-N 450.587 2.404 30 10 JEEE C=C(C)COCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1359126251 KCTCXYLGPZYDAN-UHFFFAOYSA-N 497.987 2.111 30 10 JEEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1359152232 PUUMQXBFXFDAGP-BTYIYWSLSA-N 482.969 2.370 30 10 JEEE C=CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CCS(=O)(=O)N(C)C 1359235571 DYYDIPASXKAEGI-UHFFFAOYSA-N 458.382 2.230 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H]1CCOc2ccccc21 1359240827 YCMOYRPRHZGGHY-XLIONFOSSA-N 461.588 2.190 30 10 JEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)c2cccc(Cl)c2)CC1 1359304005 HXNZPFRJFJNLBZ-UHFFFAOYSA-N 497.003 2.058 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC(NC(=O)c2ccsc2)CC1 1359330152 IYGBPHFNGZTBRU-UHFFFAOYSA-N 488.639 2.345 30 10 JEEE CC(C)C[C@@H](Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1)N(C)C 1359768867 GRQGAWQLPWGHBI-RTWAWAEBSA-N 452.607 2.352 30 10 JEEE C=CCn1c(S)nnc1-c1sc(NC(=O)c2cc(S(N)(=O)=O)ccc2F)nc1C 1443492716 NIWKVRRCOZKUMH-UHFFFAOYSA-N 454.534 2.224 30 10 JEEE COc1ccc(C(=O)N2CCN(C(=O)Cc3cccc(OCC#N)c3)CC2)c(OC)c1OC 1457314611 AWSLQFBUYGWJFT-UHFFFAOYSA-N 453.495 2.142 30 10 JEEE CC[C@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@@H]1CCCN1CCCO 1495771517 APKGVFVHKSFLII-ZCNNSNEGSA-N 467.622 2.015 30 10 JEEE CCc1cnc(CCn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@@H](CNC(C)=O)C2)s1 1498134160 CEUYJWGQKNHAAN-IBGZPJMESA-N 465.583 2.420 30 10 JEEE CCCn1nc(-c2nnc(N(C)[C@H](C)CC#N)n2CC(=O)NCC2CC2)c2ccccc2c1=O 1501065547 CZKSPEQECQHSBJ-MRXNPFEDSA-N 462.558 2.330 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)c1cccc(OC)c1 1507536923 FQMLUHDALFWVOC-PXNSSMCTSA-N 475.615 2.055 30 10 JEEE C#CCCCCn1c(-c2cc(Br)cn2C)nnc1N1CCN(CC(=O)NC(C)C)CC1 1507555052 DLWUPGUVTAPMDF-UHFFFAOYSA-N 490.450 2.496 30 10 JEEE C#CCCCCn1c(CC2CC2)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1507565898 HEAWIUNXIRVQES-QRVBRYPASA-N 477.631 2.161 30 10 JEEE C#CCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1507580123 SYLOPVUTMMNHPK-UHFFFAOYSA-N 473.581 2.170 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1CCc1cccc(OCCC)c1)[C@@H]1CCS(=O)(=O)C1 1507632246 KEMZMUFRTHHRRK-LEWJYISDSA-N 472.611 2.440 30 10 JEEE C#CCN(c1nnc([C@@H]2COc3ccccc3O2)n1CCOC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1507633183 DFUGHTUYTSUIRU-PXNSSMCTSA-N 474.583 2.232 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@H](C(C)C)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1507635810 VUCCWWVGQMNSKY-FCHUYYIVSA-N 470.643 2.011 30 10 JEEE C#CCN(CC#CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1Cc1cn(C2COC2)nn1 1507669814 SAJLLOYZSQRCSM-UHFFFAOYSA-N 494.600 2.067 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)s3)n2CC(=O)NCC2CC2)CC1 1507720629 MCQXKPUWZHQNDG-UHFFFAOYSA-N 463.405 2.051 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CC(=O)N(C)CC)CC1 1507721814 YWCFXSFJXGQLTB-UHFFFAOYSA-N 459.392 2.250 30 10 JEEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2CC2(C(N)=O)CCOCC2)CC1 1507726767 LRWCEHOUQAMWOK-UHFFFAOYSA-N 494.640 2.326 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCOc2cc(C)cc(C)c2)CC1 1507741193 XATTZNXNZTXCOB-UHFFFAOYSA-N 478.597 2.062 30 10 JEEE C#CCSCCn1c(CCCc2ccccc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1507755866 QTIYPHJMDAIOMH-UHFFFAOYSA-N 466.611 2.340 30 10 JEEE C=C(Br)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CC(=O)N(C)C[C@@H]1C 1507781727 HCMCUONCGYEWTM-LBPRGKRZSA-N 458.320 2.169 30 10 JEEE C=C(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1507829325 WEFARMKNWCUMCT-HSZRJFAPSA-N 454.531 2.353 30 10 JEEE C=C(C)Cn1c(Cc2cccnc2)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1507833140 YDNAKXCJHJIDAJ-NHCUHLMSSA-N 451.619 2.467 30 10 JEEE C=C(C)COCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1507845202 YBMRVVPYWHVVDA-IBGZPJMESA-N 468.606 2.102 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ncc(CC)s2)CC1 1507902033 HLRYGHFYAJYWCE-KRWDZBQOSA-N 466.633 2.081 30 10 JEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2ccc(F)cc2F)C1 1507953735 HSQBRVGSEGKISV-WOJBJXKFSA-N 497.568 2.433 30 10 JEEE C=CCN(CCOC)c1nnc(-c2ccccc2Br)n1CC1(O)CCS(=O)(=O)CC1 1508039570 ZINYZTHVHMMXCK-UHFFFAOYSA-N 499.431 2.286 30 10 JEEE CCCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1515124226 GCXVCYAERLGRTE-UHFFFAOYSA-N 478.532 2.116 30 10 JEEE C=CCO[C@H]1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)C1 1526842341 DKYDSKJBPRBCJD-SFHVURJKSA-N 450.557 2.052 30 10 JEEE C#CCN(C)c1nnc(COc2ccccc2OC)n1C[C@H](N1CCOCC1)C(F)(F)F 1539196545 QNBZTIRFIWJFMX-SFHVURJKSA-N 453.465 2.198 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H](CC)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1539222353 VNWNBXLVUATFME-CEXWTWQISA-N 495.646 2.102 30 10 JEEE C#CCN(c1nnc(CC2CCCC2)n1CCCN1C[C@H](C)O[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1539225265 MJXXHQYQPZLXBE-JAXLGGSGSA-N 477.675 2.137 30 10 JEEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1CCCN(C(C)=O)C1 1539323687 JFSKCEXXCRBJIE-QFIPXVFZSA-N 474.613 2.174 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(Br)s2)n1C[C@@]1(O)CCO[C@@H]1C 1539400064 ZDWFBWSBSVFAEY-ACJLOTCBSA-N 455.378 2.395 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(Cl)nc2)CC1 1539459904 RPGSKWUBKJPXKD-UHFFFAOYSA-N 455.975 2.122 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3CC)n2Cc2conc2COC)CC1 1539461232 BTFHPOOQOZVBOX-UHFFFAOYSA-N 450.543 2.357 30 10 JEEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1539526718 SXAQWHWZEASQJF-INIZCTEOSA-N 481.669 2.040 30 10 JEEE C=C(C)COCCn1c(-c2ccccn2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1539743289 ATWYRUMDEZOCOO-FQEVSTJZSA-N 453.591 2.066 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1540863021 NWEAMOIFHSDBHN-WMZOPIPTSA-N 458.538 2.164 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N(Cc1cccc(F)c1)C[C@@H]1CCCO1 1540868349 BHKDEQQNUDAIIR-IBGZPJMESA-N 451.506 2.362 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCCN(Cc3cnn(C)c3)CC2)cc1 1540877213 NTPASDYJHXACCZ-UHFFFAOYSA-N 492.628 2.475 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2Cc2ncn(C)n2)C1 1540890295 CEXQIZAEBVNQDQ-ZWKOTPCHSA-N 472.594 2.351 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCC2CCCC2)C1 1540891965 CKPQNVQXIRGYQK-WOJBJXKFSA-N 467.636 2.363 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(c2ccccn2)CC1 1540899334 KOTSFOVIDAGASY-UHFFFAOYSA-N 483.554 2.176 30 10 JEEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCc2ccc(O)cc2C1 1540906938 HDKOIWFZJMKRGT-UHFFFAOYSA-N 487.607 2.139 30 10 JEEE CC(=O)N1CCC[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N(C)C[C@H]2CCN(C(C)=O)C2)C1 1540937932 HHMNMXWBXFPYRR-FCHUYYIVSA-N 463.586 2.380 30 10 JEEE COC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCN2CCCO)C1 1554513833 BHGNCPQCQULASJ-LEWJYISDSA-N 452.559 2.053 30 10 JEEE COc1cc(Cl)ccc1-c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC(=O)N(C)C 1554772038 HIZXTPIPMAHOFF-UHFFFAOYSA-N 480.960 2.289 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1nnc(C)s1 1587662555 OWEFYQQJKUONNW-GOSISDBHSA-N 450.616 2.309 30 10 JEEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 1587697325 NTHOFRQORZYMTL-VXKWHMMOSA-N 483.661 2.135 30 10 JEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1587857322 YMXFHTUHJAJALV-KZNAEPCWSA-N 465.620 2.333 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc(F)cc1Cl 1588181284 QJROJEGZXFFFTE-OAHLLOKOSA-N 451.955 2.386 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1ccccc1Cl 1588229139 RJIBWZSJORRNGL-HTAPYJJXSA-N 460.987 2.204 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1c(C)noc1C 1588471994 BHNRQIDVOVCNQN-OAHLLOKOSA-N 460.535 2.320 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC1(C(N)=O)CCCC1 1588574287 CHWKLZGJNKDJGS-UHFFFAOYSA-N 452.559 2.279 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2Cc2coc(-c3ccccc3)n2)CC1 1588751756 MQMDQYRTBDCZJA-IBGZPJMESA-N 450.543 2.461 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@H]2CCC(=O)N2)CC1 1588871588 IWBZNLRJSJLMLG-HXUWFJFHSA-N 450.587 2.188 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1589527968 BZICTTVZDKVEHU-ZVDOUQERSA-N 474.631 2.395 30 10 JEEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 1589708621 QXZQYDQZEDDUMN-GJZGRUSLSA-N 455.606 2.065 30 10 JEEE C=C1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CCNS(=O)(=O)CC)CC1 1594035140 FBFOJEKIKJFCGQ-UHFFFAOYSA-N 465.576 2.067 30 10 JEEE C=CCN(c1nnc([C@@]2(OCC)CCOC2)n1C[C@H](N1CCOCC1)C(F)(F)F)C1CC1 1595027042 WRRDNSUCRURUIN-FXAWDEMLSA-N 459.513 2.348 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H]1CCOC1 1595162190 YTSOZCGOXJYFKF-PKOBYXMFSA-N 481.644 2.292 30 10 JEEE C=CCn1c(COc2cccc(C)c2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1595434762 OFVHMVJFTULKDQ-UHFFFAOYSA-N 451.531 2.409 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC(n2cc(Cl)cn2)CC1 1595797725 IABFTOFAUGXARW-OAHLLOKOSA-N 454.984 2.074 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N(CC)Cc1cnn(C)c1 1595805043 KMQIKKMBNDIQNA-FQEVSTJZSA-N 472.571 2.151 30 10 JEEE CC(C)CN1CCC[C@H](Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCO[C@H](C#N)C2)C1 1607447914 BZCUZHDINSDFGU-PZJWPPBQSA-N 486.642 2.445 30 10 JEEE C[C@@H]1C[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(NS(C)(=O)=O)CC2)CCO1 1612686056 AMVVWRHSLMTCSU-AEFFLSMTSA-N 458.588 2.150 30 10 JEEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(-c2cccn2C)n1CC(C)(C)CN(C)C 1612884615 BOGJPIVAJFZGAN-SFHVURJKSA-N 462.606 2.248 30 10 JEEE CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCOC[C@H]2C)C1 1614908736 HAJSMNPFQUCMOQ-DENIHFKCSA-N 465.602 2.280 30 10 JEEE CC(C)N(C)C(=O)C1CCN(C(=O)CN2CCC(C(=O)Nc3cccc(C#N)c3)CC2)CC1 1644921887 FKOAHHNKUBBKIM-UHFFFAOYSA-N 453.587 2.314 30 10 JEEE CCOC(=O)c1ccc(N2CC(NC(=O)N(CCN(C)C)Cc3ccc(C#N)cc3)C2)nc1 1681519234 AGJMXBXYAKVGMB-UHFFFAOYSA-N 450.543 2.092 30 10 JEEE C#CCN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1CCCS(=O)(=O)C1 1690057811 IVAUUBQKPBDDEA-QGZVFWFLSA-N 463.991 2.146 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(C=C)cc1 1690206493 SLFSNKIBEDNUHT-ZJSXRUAMSA-N 469.611 2.489 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)C[C@H](C)C1 1690244957 BCIPIHHGJOTFLJ-KNJMJIDISA-N 467.636 2.075 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)OC(C)(C)C1 1690433324 VJTZIWDWANAXFT-DLBZAZTESA-N 455.625 2.217 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC[C@H](CNC(C)=O)C1 1690661642 CAXOHNQYZAPDFI-LJQANCHMSA-N 461.570 2.456 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCNC(=O)[C@H]1CC 1690715859 WMAMERYFTVMUHM-HXUWFJFHSA-N 468.583 2.117 30 10 JEEE CCNC(=O)C(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1695907270 AVYXTUUJDMFILA-FQEVSTJZSA-N 479.585 2.126 30 10 JEEE CCO[C@@H](CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)CC1)C(C)C 1696000282 FKOSTCITERVOSO-FQEVSTJZSA-N 460.604 2.350 30 10 JEEE CO[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1)C(C)(C)C 1697190851 CVSKEQMBMVKLDW-SFTDATJTSA-N 470.574 2.131 30 10 JEEE COc1cc(C)nc(N2CCN(c3nnc(-c4ccc(C#N)cc4)n3CCC(C)(C)O)CC2)n1 1697244186 FCKPLJOPVXZLBT-UHFFFAOYSA-N 462.558 2.411 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1CC(C)(C)COC)[C@@H]1CCS(=O)(=O)C1 1705568562 QCNICBBIMPAVOB-QGZVFWFLSA-N 464.563 2.296 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1ccc(OCC)cc1)[C@@H]1CCS(=O)(=O)C1 1705570053 JXYXJNAVMOQBDM-OAQYLSRUSA-N 465.579 2.338 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1705586169 XJTWBMMINIVXPX-VXKWHMMOSA-N 486.555 2.148 30 10 JEEE C#CCN1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CC(C)(C)CCOC)CC1 1705635019 PBPTXPBZSKCCAP-UHFFFAOYSA-N 487.674 2.365 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCc2csc(CC)n2)CC1 1705651102 JNVKMEXZFSYZDX-UHFFFAOYSA-N 480.642 2.367 30 10 JEEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1705662519 BBVFCCBVYZSIML-UHFFFAOYSA-N 481.670 2.201 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCN(CC(F)(F)F)C1 1705709599 BQHBBKROERPRRP-CABCVRRESA-N 452.547 2.175 30 10 JEEE C=C(C)COCCn1c(COc2ccccc2OC)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1705740784 WTJBZSHBDBYGTH-QHCPKHFHSA-N 457.531 2.489 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)Oc2cccc(F)c2)CC1 1705769382 QXOLHQIPDLWHQF-PXNSSMCTSA-N 479.578 2.374 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCS(=O)(=O)C1 1705861613 KGEWWVNBTUFLFD-WOJBJXKFSA-N 478.640 2.198 30 10 JEEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1c(C)nn(C)c1C 1705883856 YJPAFIBOGXZNEL-UHFFFAOYSA-N 462.558 2.229 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(C(=O)C(C)C)CC1 1705897026 DSZLVOMFAPSLJG-QGZVFWFLSA-N 458.538 2.164 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2CC(=O)N(CCOC)C2)C1 1705917645 XDFCRZDAZKWKCD-DOTOQJQBSA-N 493.406 2.312 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1705935458 SBVUFNXKLALLNQ-HXUWFJFHSA-N 487.626 2.070 30 10 JEEE CCc1cnc(CN(C)c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCN(C)C2)s1 1708964871 CERSWWHRHULFEF-QHCPKHFHSA-N 467.599 2.451 30 10 JEEE CN(CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1)C(=O)OC(C)(C)C 1711207780 BELWVQGKCUUIDP-LJQANCHMSA-N 480.573 2.240 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2Cc2ccc(C)n(C)c2=O)c1 1722304671 CDCLTPWHLGEJBD-UHFFFAOYSA-N 467.533 2.452 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@@](C)(O)c1ccco1)[C@H]1CCS(=O)(=O)C1 1722370872 FNCFAWGDOXGTOF-YADARESESA-N 484.578 2.293 30 10 JEEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1CCCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1722372316 UHBVRMYAOKREOT-AWEZNQCLSA-N 489.545 2.239 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1Cc1c(CC)nn(C)c1OC 1722423406 BFDHJACPSQJGDT-UHFFFAOYSA-N 466.542 2.155 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H]2CC=CCO2)CC1 1722436471 HOUHRBSNKZJCSK-LEWJYISDSA-N 470.618 2.493 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2cn(CCCC)nc2C)CC1 1722447330 HYOCPTTVAXVRRC-FQEVSTJZSA-N 453.591 2.101 30 10 JEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1nc(C(F)(F)F)cs1 1722452586 UVVLOXDGMQDCSX-LLVKDONJSA-N 482.579 2.366 30 10 JEEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC=C(C(C)(C)C)CC1 1722461209 MKWAPELFHAUPLS-SFHVURJKSA-N 467.661 2.160 30 10 JEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccnc2OCC(F)(F)F)CC1 1722559871 KSGAAWXHJHYEEC-AWEZNQCLSA-N 474.509 2.429 30 10 JEEE C=CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1722606789 HYYQLPCMVUFGSQ-UHFFFAOYSA-N 482.585 2.200 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nc(C(C)C)cs1)C1CC1 1722650799 LJIMLOJMZHZYLF-KRWDZBQOSA-N 466.633 2.394 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1722693958 GMOHYHVZURUOHP-LJQANCHMSA-N 474.631 2.063 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN([C@H](C)c2nc(CC)no2)CC1 1722699756 NCGQIUDTESHOQI-QGZVFWFLSA-N 482.564 2.139 30 10 JEEE CC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCN(C(C)=O)CC2)CCS1 1727832347 BLZQEQPNRRAWPC-JOCHJYFZSA-N 483.642 2.225 30 10 JEEE C#CCN(CC)c1nnc(-c2ccc(OC)c(Br)c2)n1CCN1CCCS1(=O)=O 1740665700 MYZUCFZMXRRNGL-UHFFFAOYSA-N 482.404 2.211 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)N2CCCC2)n1CCCN1CCOCC1 1740675575 DWFHWJBNEDHHQT-UHFFFAOYSA-N 454.550 2.015 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC(=O)NCc1ccco1 1740688524 RARSGUQDNOEYMQ-IBGZPJMESA-N 486.573 2.346 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2Cc2cccc(OCCN(C)C)c2)CC1 1740704137 IKQDWCJETWURDE-UHFFFAOYSA-N 487.608 2.295 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Br)c2)n1CCS(=O)(=O)NC 1740727294 GIUWLWQGAGXQTD-GOSISDBHSA-N 452.378 2.249 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1740751502 KZXDUZWENDUXPH-AHRSYUTCSA-N 473.622 2.218 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1740756305 OVAYCBPBNICKQL-SFTDATJTSA-N 466.586 2.100 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1740758027 TZRKCRKVIHYTKT-FPOVZHCZSA-N 474.631 2.395 30 10 JEEE C=CC1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CCCS(C)(=O)=O)CC1 1740837321 ZMNKUAZPJDNIER-UHFFFAOYSA-N 480.660 2.384 30 10 JEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2cccc(C)c2)CC1 1740877177 TXFLOVOOQJVUMC-NRFANRHFSA-N 474.631 2.212 30 10 JEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](Cc2ccccc2)C1 1740887955 NFZLAUMQDNKYAH-LEWJYISDSA-N 460.600 2.221 30 10 JEEE C=CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@H](C)N1CCOCC1 1740897739 SHZBANMIHWJVTH-SFHVURJKSA-N 451.575 2.408 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 1740955113 MFKPWWIUOWFHID-SFHVURJKSA-N 462.514 2.203 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1740975752 XPAMKPSUCNLGDB-MJGOQNOKSA-N 491.614 2.025 30 10 JEEE CNC(=O)[C@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2C[C@H](C)O[C@H](C)C2)C1 1748131341 HKHQESRBIWBNIE-HHJKRLRDSA-N 465.602 2.278 30 10 JEEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1748697451 IQTNXFUKJKEWEV-UNMCSNQZSA-N 492.628 2.108 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1C[C@H](C)N1CCN(CC)CC1)[C@H]1CCS(=O)(=O)C1 1748809250 QUFYAAPYCNRGRZ-URXFXBBRSA-N 498.697 2.160 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCCN(C(C)C)C1 1748957093 URBVRACZARAYQK-FQEVSTJZSA-N 463.590 2.127 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H](CC(C)C)NC(=O)OCC)CC1 1749010826 XNFOYCMGQFMTQL-SFTDATJTSA-N 488.633 2.299 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCC[C@H](COC)C1 1749119113 NQWCHPHLVAFJRN-HCXYKTFWSA-N 455.625 2.122 30 10 JEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1749210680 MJIPJSVWLCERQH-UHFFFAOYSA-N 458.523 2.053 30 10 JEEE C=C(Cl)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1749271113 NSMKACCQBLJOEH-UHFFFAOYSA-N 463.369 2.202 30 10 JEEE COC[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCOCC2(C)C)C1 1749533284 FZKOGMGEBORTLG-FQEVSTJZSA-N 454.575 2.312 30 10 JEEE C=CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(C(=O)NCC)CC1 1749752525 SPLPQTQZBRSQPG-UHFFFAOYSA-N 496.641 2.446 30 10 JEEE Cc1cccc2c(CCn3c([C@@H]4CN(S(C)(=O)=O)CCO4)nnc3N(C)[C@@H](C)CC#N)c[nH]c12 1751657333 DHGFQMDCSXCGTH-PXNSSMCTSA-N 485.614 2.382 30 10 JEEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@]1(N2CCOCC2)CCSC1 1760166008 NMDXBLMXFAYXMI-FQEVSTJZSA-N 479.448 2.323 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@]1(C)CCCO1)[C@@H]1CCS(=O)(=O)C1 1760180634 IPPKTZMZYODULJ-BEFAXECRSA-N 482.404 2.232 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@H](OC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1760183378 BCATUPWLQIORDF-UTKZUKDTSA-N 476.599 2.260 30 10 JEEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H](c1cccc(C)c1)N1CCOCC1 1760196129 LAJSIVXORYYIRY-RPLLCQBOSA-N 477.609 2.385 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@@H](OC)C(F)(F)F)CC1 1760264168 DKZLQUPGUDLKDB-LJQANCHMSA-N 462.476 2.451 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2cc(F)ccc2F)CC1 1760265450 BJNDQNBOMPGLFM-DEOSSOPVSA-N 473.524 2.223 30 10 JEEE C#CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1760282234 YAUAHFPOFMJJAR-HXUWFJFHSA-N 491.639 2.017 30 10 JEEE C#CCSCCn1c(COc2ccccc2OC)nnc1N1CCN(c2ncccn2)CC1 1760285373 DNTSSXSSQGIXES-UHFFFAOYSA-N 465.583 2.349 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1CC(=O)NCCc1ccccc1 1760299533 YHFIYJCCMDCGTE-UWDQQESISA-N 451.571 2.353 30 10 JEEE C=CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1760428317 TYNMSWADYHBMNU-MOPGFXCFSA-N 489.621 2.499 30 10 JEEE C=CCCOCCn1c(-c2noc3c2COCC3)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1760449834 WQRZSOCEWDLYTR-KRWDZBQOSA-N 458.563 2.292 30 10 JEEE CC[C@@H](C)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1)OC 1763442011 CJFRJKOYDPJEGI-DYESRHJHSA-N 462.558 2.465 30 10 JEEE COc1cc(-c2nnc(N3CCC(C#N)CC3)n2CCNS(C)(=O)=O)ccc1OC(C)C 1768264365 HXFHDZRSIXEBHH-UHFFFAOYSA-N 462.576 2.030 30 10 JEEE CN(CC(=O)N1CCOCC1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(C)CCCS1 1768588354 HNPOIENSOPHMOG-HSZRJFAPSA-N 470.599 2.309 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)cc2OC)n1CCCn1cc(CO)nn1 1772523334 NKEFUZHCFOFXLL-HSZRJFAPSA-N 451.531 2.129 30 10 JEEE Cc1ccc(S(=O)(=O)NC(=O)COc2cccnc2NC(=O)c2cccc(C#N)c2)cc1 1858727578 OKTPXEYTHDIOFH-UHFFFAOYSA-N 450.476 2.398 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)[C@@H](C)Oc3cccnc3NC(=O)NCCOC)cc21 1858807183 OJNOMGIETZIOSI-OAHLLOKOSA-N 454.483 2.411 30 10 JEEE C=CCN(CC=C)C(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1c(OC)ccc2ccccc12 1865729473 PYBXFUPRUDRORG-HXUWFJFHSA-N 488.544 2.141 30 10 JEEE CN(C)CC#CC1CCN(C(=O)C[C@@H]2CSc3nc4c(cnn4-c4ccccc4)c(=O)n32)CC1 1890543205 SVWFFALRGWYXCB-HXUWFJFHSA-N 476.606 2.423 30 10 JEEE COc1ccc(Br)cc1S(=O)(=O)N1CCC[C@H](Oc2nccnc2C#N)C1 1891724762 IMTSSTSQBCPYEE-ZDUSSCGKSA-N 453.318 2.351 30 10 JEEE CN1CCN(C(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)[C@@H](CNC(=O)OC(C)(C)C)C1 2267282834 HOCDFRAOFOFCJZ-HNNXBMFYSA-N 465.425 2.328 30 10 JEEE CC(C)(C)OC(=O)NCCOCCNC(=O)c1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2267453457 LBAJNWQNLCNWML-UHFFFAOYSA-N 452.332 2.396 30 10 JEEE CC1(C)OB(c2ccccc2S(=O)(=O)N2CC3(CN(Cc4ccccc4)C3)C2)OC1(C)C 2267717603 GQOZMWFUKXEXQO-UHFFFAOYSA-N 454.401 2.492 30 10 JEEE CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc(B2OC(C)(C)C(C)(C)O2)ccc1Cl 2268633568 SUSYRQUWYSJNBM-AWEZNQCLSA-N 468.791 2.428 30 10 JEEE COCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2268637173 KHOALDYGRWGIPA-OAHLLOKOSA-N 469.413 2.378 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H]1C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2268646202 SUYRIXJLVIHCFG-WMLDXEAASA-N 450.316 2.434 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@H](NC(=O)c2ccc(F)cc2B2OC(C)(C)C(C)(C)O2)C1 2281783140 GZWHZGBNCFWOFN-MRXNPFEDSA-N 464.343 2.491 30 10 JEEE Cn1cc(C(=O)NCC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2281971434 JIQVACSTCROXLG-MRXNPFEDSA-N 462.400 2.486 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)n1 2282035579 XIHBFEKPVPZLLI-MRXNPFEDSA-N 462.400 2.486 30 10 JEEE CO[C@@H]1C[C@H](CNC(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)N(C(=O)OC(C)(C)C)C1 2282174794 SDZZGSPCJHDHHJ-QZTJIDSGSA-N 461.368 2.135 30 10 JEEE C[C@@H]1CN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C[C@H]1CCNC(=O)OC(C)(C)C 2282185471 HMBYSPTZNKKUBH-HZPDHXFCSA-N 460.384 2.399 30 10 JEEE C[C@@H]1[C@H](NS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CCCN1C(=O)OC(C)(C)C 2282346182 MGBURUKWNYAWSM-CRAIPNDOSA-N 481.424 2.447 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H]2CN(S(=O)(=O)c3cncc(B4OC(C)(C)C(C)(C)O4)c3)C[C@@H]21 2282353026 SHUJQHYDHSACJL-QAPCUYQASA-N 479.408 2.011 30 10 JEEE CC1(C)OB(c2ccccc2S(=O)(=O)NC[C@H]2COCCN2Cc2ccccc2)OC1(C)C 2282353464 VQUUNHVAEIITRP-FQEVSTJZSA-N 472.416 2.165 30 10 JEEE Cn1cc(C(=O)NC[C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)nc1B1OC(C)(C)C(C)(C)O1 2282553138 VGFXGCNRQJMIBO-MRXNPFEDSA-N 462.400 2.486 30 10 JEEE Cn1nc(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@@H]2C(F)F)cc1B1OC(C)(C)C(C)(C)O1 2282615508 ZHDVCTVPQYYVCZ-WMZOPIPTSA-N 460.334 2.215 30 10 JEEE C[C@@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2CN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2282626998 FRXRHDLDDKJRHZ-PMPSAXMXSA-N 460.384 2.047 30 10 JEEE CC(C)(C)OC(=O)N1CC2(CCCCN2C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2283068919 ORXHAYLSKALMCN-UHFFFAOYSA-N 458.368 2.391 30 10 JEEE CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)ccc1F 2283950864 PRLPMJKVQFPTMZ-SFHVURJKSA-N 465.375 2.196 30 10 JEEE CC(C)(C)OC(=O)N[C@]1(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C[C@H](CO)C1 2284038545 VSDNLMWKGWZKQB-NHPVSCMHSA-N 465.331 2.124 30 10 JEEE C[C@@H](OCc1ccccc1)[C@H](NS(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)O 2284410248 ATGHLFIZRONQNO-UZLBHIALSA-N 475.372 2.323 30 10 JEEE C[C@H](OCc1ccccc1)[C@H](NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1)C(=O)O 2284411371 JLECRVIIYUOGKC-JXFKEZNVSA-N 475.372 2.323 30 10 JEEE COc1ccc(F)cc1C(O)=C1C(=O)C(=O)N(CCCN2CCOCC2)[C@H]1c1ccccn1 2296623813 UFZMIUQOUSPVDK-NRFANRHFSA-N 455.486 2.373 30 10 JEEE COc1ccc(C(O)=C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccco2)c(OC)c1 2296624494 UKOINRJAUFSZAO-OAQYLSRUSA-N 456.495 2.441 30 10 JEEE Cc1c(C=C2SC(=S)N(C3CCCC3)C2=O)c(N2CCN(C)CC2)n(C)c(=O)c1C#N 2314435684 CFUGZRPPPCCNBU-UHFFFAOYSA-N 457.625 2.461 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)n1C 2362332017 KZXOFTPMXOYJMV-HOTGVXAUSA-N 462.400 2.451 30 10 JEEE Cn1cnc(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 2362355002 FZSPRLFAFKWLNS-BZUAXINKSA-N 460.384 2.095 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCC1CCN(C(=O)OC(C)(C)C)CC1 2362460687 KKUQXDVAXNGSNO-UHFFFAOYSA-N 462.400 2.486 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)O[C@H](C)C(=O)Nc3ccc(S(=O)(=O)NC(C)C)cc3)cc2C1=O 9702216 GVQGMTLGPAEAEG-OAHLLOKOSA-N 499.545 2.339 30 10 JEEE N#CCCN1CCN(c2ccc(C(=O)O)cc2NS(=O)(=O)c2ccc(F)c(F)c2)CC1 32961976 HERDRZYVIIGUOX-UHFFFAOYSA-N 450.467 2.499 30 10 JEEE CC(=O)O[C@H]1C[C@H]([C@@]2(C)CO2)[C@@H](OC(C)=O)c2oc(cc2C)[C@@H]2O[C@@]2(C)C[C@H]2OC(=O)[C@@]13O[C@H]23 43693249 FXDXTJXKPXLNSW-VZIISQGKSA-N 476.478 2.216 30 10 JEEE COc1ccc(NS(=O)(=O)c2ccc(N/N=C(/C)CC(=O)N3CCOCC3)c([N+](=O)[O-])c2)cc1 95951043 ZWMFZFXHJIEZRF-JCMHNJIXSA-N 491.526 2.441 30 10 JEEE COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccncc2)cc1OC 103102737 GKQKCDBZFAWSIF-VFJWVMJUSA-N 467.522 2.243 30 10 JEEE Cc1ccc(OC[C@@H](O)Cn2c(N/N=C/c3ccccc3Cl)nc3c2c(=O)[nH]c(=O)n3C)cc1 107397491 DPFMIWVKROZZDG-HDDDNDSPSA-N 482.928 2.271 30 10 JEEE C=CCNC(=O)CN1CCN(C(=O)c2nc(-c3cccs3)n(-c3cccc(F)c3)n2)CC1 506274571 WRDQNQQCZQIBBC-UHFFFAOYSA-N 454.531 2.195 30 10 JEEE Cc1occc1C(=O)NC1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 608949239 MGTLLFNBYILCHC-UHFFFAOYSA-N 484.578 2.281 30 10 JEEE COC(=O)c1ccc(C=NNc2nnc(SCC(=O)NCc3ccc(Cl)cc3)n2N)cc1 1083973317 JKNOIPHWORWIIQ-UHFFFAOYSA-N 473.946 2.286 30 10 JEEE Nn1c(NN=Cc2cc(Cl)ccc2O)nnc1SCC(=O)Nc1ccccc1[N+](=O)[O-] 1084210666 FKPMCTYDTBBTTH-UHFFFAOYSA-N 462.879 2.436 30 10 JEEE CCOc1ccccc1NC(=O)CSc1nnc(NN=Cc2cc(OC)ccc2O)n1N 1084234870 QKYDFRYIYAPJGV-UHFFFAOYSA-N 457.516 2.282 30 10 JEEE CC(=O)Nc1cccc(NC(=O)CSc2nnc(NN=Cc3cc(Cl)ccc3O)n2N)c1 1084405808 GHKCDTUMHNPKET-UHFFFAOYSA-N 474.934 2.486 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1CC1(O)CCS(=O)(=O)CC1 1286282238 LFIMEKCGKYLBCF-AWEZNQCLSA-N 452.964 2.005 30 10 JEEE C#CCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(CC(=O)NC2CC2)CC1 1286342763 DUHLFHJPUJEQIP-UHFFFAOYSA-N 456.978 2.421 30 10 JEEE C#CCN(c1nnc(COCC)n1CC1(c2ccc(F)cc2F)CC1)[C@@H]1CCS(=O)(=O)C1 1286395729 MUDYKPGNPFYVLM-QGZVFWFLSA-N 464.538 2.451 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1coc(-c2cccs2)n1 1286466369 GBECVAPJINQECG-OAHLLOKOSA-N 461.569 2.031 30 10 JEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)c2ccsc2)CC1 1286505442 ZXCVWJCOKYZQRV-QGZVFWFLSA-N 458.613 2.010 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1286550227 ZWNGKGZTSXOHCX-ULQDDVLXSA-N 458.529 2.470 30 10 JEEE C=C(C)Cn1c(N2CCN(S(=O)(=O)c3csc(C)n3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1286598823 FBRXVPOBXZSLLY-NRFANRHFSA-N 496.659 2.171 30 10 JEEE C=C(C)Cn1c(COc2cccc(C)c2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1286600717 GAUXFSPHLARMNX-OAQYLSRUSA-N 475.615 2.372 30 10 JEEE C=CCN(CCOC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H]1COCCO1 1286772342 BMMWCIJOMPEAMN-LJQANCHMSA-N 465.595 2.447 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](Cc2ccccc2)OC)C1 1286809427 IZARTHZNTMTIBO-NJYVYQBISA-N 460.600 2.219 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]1c1ccccc1OC 1286821078 ZXNIOIHCPWMKJA-HKUYNNGSSA-N 494.639 2.131 30 10 JEEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1csc2ccccc12 1300464491 GISNVISIBABZIR-GOSISDBHSA-N 459.597 2.138 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1Cc1cc(C)ccc1OC(F)F)[C@H]1CCS(=O)(=O)C1 1300493440 UBFBGRIJKVVUFH-KRWDZBQOSA-N 488.520 2.320 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1CCCOC(F)F)[C@H]1CCS(=O)(=O)C1 1300499025 ORSHFCRBOCEPED-INIZCTEOSA-N 456.490 2.264 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1300529496 LDBHPZRFCCWVTA-DEOSSOPVSA-N 484.608 2.146 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@](C)(O)c1ccco1 1300642651 LVQZXKWOQPUMFK-KSFYIVLOSA-N 475.546 2.168 30 10 JEEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1300830700 JKOPXVREIWMYNG-QGZVFWFLSA-N 482.427 2.357 30 10 JEEE C=C(Br)Cn1c(N2CCC[C@@H](OCCOC)C2)nnc1[C@]1(OCC)CCOC1 1300862684 CFFPRLLTDKZOJL-APWZRJJASA-N 459.385 2.471 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1300892850 VWOJLZOBDIXQFR-PFATUAPWSA-N 483.613 2.394 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(COC(C)(C)C)on1)C1CC1 1301327419 RVYSWFMAIZNKMK-IBGZPJMESA-N 494.618 2.117 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H]2COCCO2)C1 1301543008 HCYRICXMGOVVPW-HOTGVXAUSA-N 452.353 2.243 30 10 JEEE C=CCS(=O)(=O)CCn1c(CSc2ccc(C)cc2)nnc1N1CC[C@](C)(C(=O)NC)C1 1301593774 UGOFLBKYYJTYMK-QFIPXVFZSA-N 477.656 2.442 30 10 JEEE C=CCSCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1301617792 ICMVHOGICVMELX-LJQANCHMSA-N 498.653 2.355 30 10 JEEE CC(=O)N1CCC(Cn2c(N3CCO[C@@H](C#N)C3)nnc2[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)CC1 1301671521 JYJDRVMEWXCAMV-ZCNNSNEGSA-N 487.605 2.036 30 10 JEEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2cccc(F)c2F)C1 1303939167 ACQUDEQKGQAFIR-XMSQKQJNSA-N 494.568 2.262 30 10 JEEE C#CCSCCNC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N1CCOCC1 1310075053 JCVLQHXAWCXQLL-UHFFFAOYSA-N 454.618 2.042 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCOC1CCOCC1 1358885813 RGAUJUVHFYBJFE-QGZVFWFLSA-N 450.543 2.236 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1cccc(C(N)=O)c1 1358891019 YLZDBWGQZNRIKQ-YLJYHZDGSA-N 482.585 2.386 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@]1(N(C)C)CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1358965460 VLSUDVNMZVNRBJ-HOKHCIIBSA-N 484.670 2.401 30 10 JEEE C#CCN(c1nnc(CSc2ccc(C)cc2)n1C[C@@H]1CC[C@H](CO)O1)[C@H]1CCS(=O)(=O)C1 1358967771 RPSLQVZKPAMLCN-SLFFLAALSA-N 490.651 2.045 30 10 JEEE C#CCN(c1nnc(COCC)n1Cc1ccc(NC(=O)NC(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 1358968117 ZRRHHBGUYOGFGW-HXUWFJFHSA-N 488.614 2.020 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(=O)NC1CCCCC1 1359014875 AHUCUCGOINTVNQ-QGZVFWFLSA-N 490.605 2.116 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(Br)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1359020754 OZOFNIIFSVMCLU-GOSISDBHSA-N 496.431 2.218 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H](OC)C2CC2)CC1 1359042390 DQHASTAXGRHNRC-QFIPXVFZSA-N 467.570 2.353 30 10 JEEE C=CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1359202233 NNOCPQAGKWYRII-KRWDZBQOSA-N 485.614 2.018 30 10 JEEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(c2nccc(OCC)n2)CC1 1359203630 SCTCOEFISMRAGI-LJQANCHMSA-N 489.646 2.442 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(CCc3ccccc3)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1359324332 IXIORUXGYUKYHU-NHCUHLMSSA-N 459.616 2.269 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1359334261 YPELKAQIBNIZCL-LJQANCHMSA-N 491.633 2.298 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCCN1CCCC[C@H]1C 1360237535 HYPJUQKAPWWRPD-HXUWFJFHSA-N 479.633 2.274 30 10 JEEE C=CCNC(=O)Nc1ccc(NC(=O)[C@@]23CN(C(=O)OC(C)(C)C)C[C@@H]2CS(=O)(=O)C3)cc1 1440891205 DDUQLJOJZDMMAD-IVZQSRNASA-N 478.571 2.214 30 10 JEEE CC(=O)N1CCN(Cc2ccc(NC(=O)c3cc(S(=O)(=O)CC#N)ccc3F)cc2)CC1 1446888584 CLBLADYSPFVGRY-UHFFFAOYSA-N 458.515 2.039 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@H]1CC[C@@H](C)C1 1493436946 HQJMAWQXRCGIAI-KURKYZTESA-N 451.579 2.229 30 10 JEEE C#CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CC1(NC(=O)OC(C)(C)C)COC1 1507602980 KBFQSPPXRIAPSS-UHFFFAOYSA-N 465.352 2.399 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@H]1CCCCN1CC)[C@@H]1CCS(=O)(=O)C1 1507627367 SKOATGZYZFHRFI-NHCUHLMSSA-N 471.627 2.455 30 10 JEEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1CCN1CC=CCC1)[C@H]1CCS(=O)(=O)C1 1507638781 GOCJGBDRVSLONN-FQEVSTJZSA-N 490.029 2.399 30 10 JEEE C#CCN(c1nnc(CCOc2ccccc2)n1C[C@]1(O)CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1507640797 WEOSTBOOZMNEDK-MZLICYQSSA-N 472.611 2.077 30 10 JEEE C#CCN(CC)c1nnc([C@@H](C)Oc2ccccc2F)n1CCS(=O)(=O)N1CCSCC1 1507678798 MLXZDNZHGDVGAH-QGZVFWFLSA-N 481.619 2.395 30 10 JEEE C#CCN1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2C[C@H](CCC)OC)CC1 1507731560 LSTBCZCKQMQZBA-NRFANRHFSA-N 452.607 2.022 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2Cc2nncn2CC)CC1 1507733900 CZSVBUOAXFVOGX-UHFFFAOYSA-N 484.511 2.172 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2CC2([S@](C)=O)CCC2)CC1 1507743054 XPPRQFWGHNLJID-XIFFEERXSA-N 467.639 2.444 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C 1507810612 XLZWKSYDJIWEHA-LTMIRXACSA-N 450.543 2.377 30 10 JEEE C=CCCCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC(NS(C)(=O)=O)CC1 1507939450 PRHFMLABJVPPPM-UHFFFAOYSA-N 457.604 2.391 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)NC(C)C)n1Cc1ccc(C(N)=O)nc1 1508002578 JLEDODBTPKTVKO-UHFFFAOYSA-N 451.506 2.290 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc3ccccc3o2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1508071273 CKXWOPQVAZTNNC-UHFFFAOYSA-N 486.598 2.244 30 10 JEEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1508095332 NLPBCZSRGVMLIS-DFBJGRDBSA-N 469.586 2.148 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1CCNc1nccc(C(F)(F)F)n1)[C@@H]1CCS(=O)(=O)C1 1539219787 MRIRAQNHIFEFBQ-OAHLLOKOSA-N 485.536 2.024 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1OCC(F)(F)F 1539415986 JNIHPSZDCONREJ-KRWDZBQOSA-N 486.516 2.256 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccccc2F)CC1 1539466767 GJCIAOSYBLAXLP-UHFFFAOYSA-N 454.550 2.350 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccccc2OC(F)(F)F)CC1 1539467769 ZDORYCQDWSAKGH-UHFFFAOYSA-N 492.502 2.329 30 10 JEEE C=CC[C@H](Cn1c(Nc2cnn(C)c2)nnc1[C@H]1CN(S(C)(=O)=O)CCO1)c1ccccc1 1539948780 RTWDBWJMVVSODI-UYAOXDASSA-N 471.587 2.448 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC2(C)COC2)C1 1540892728 QTJMUZSQGOXFIS-MSOLQXFVSA-N 463.579 2.404 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1540896022 DUDFROZLYZEZFI-IYWMVGAKSA-N 481.663 2.260 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CC[C@@](O)(c2ccc(F)cc2)C1 1540903369 CEELRSJYJLDQTI-QHCPKHFHSA-N 471.558 2.102 30 10 JEEE C=CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1540912148 NULSEAFTSBPCPJ-UHFFFAOYSA-N 479.610 2.007 30 10 JEEE C[C@H](C#N)CN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC1(C(N)=O)CCCC1 1541118599 DEGSXEAWDHYJRA-OAQYLSRUSA-N 478.645 2.284 30 10 JEEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(CC2CC2)n1CC[S@](=O)C(C)(C)C 1544582218 IBOJIHUZRUWJIC-KNTRGWTASA-N 456.620 2.155 30 10 JEEE COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCC2(CCCCC2)O1 1555557801 CXAUEXRHOWWXNH-RBUKOAKNSA-N 465.620 2.429 30 10 JEEE CS(=O)(=O)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccsc2)CC1 1555810273 GXMPWNXLELMZDJ-UHFFFAOYSA-N 472.596 2.310 30 10 JEEE N#Cc1cccc(CN2CCC(NC(=O)NCc3cnc(N4CCOCC4)c(F)c3)CC2)c1 1564522559 DTISKIFMBAMITQ-UHFFFAOYSA-N 452.534 2.393 30 10 JEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1587823699 WHGZSWHUEHBFBL-KNQAVFIVSA-N 471.627 2.309 30 10 JEEE C#CCN(c1nnc(-c2ccc(Br)cc2)n1C[C@@](C)(O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1588040802 QUEQGDHLWLALOH-WIYYLYMNSA-N 493.427 2.495 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@H](C)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1588040947 SNUXBEYHIADVLF-ICSRJNTNSA-N 459.616 2.311 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@@H](C(C)C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1588059473 ORNNPMNLYBRTHS-ZEQRLZLVSA-N 499.681 2.161 30 10 JEEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1C[C@H](OC)[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1588064509 JKFBCPWGHPOVJD-GIVPXCGWSA-N 484.626 2.204 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCN(CC)C1 1588550330 NSIDQHGSUNNVIU-VQTJNVASSA-N 459.591 2.301 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2Cc2nccn2C(F)F)CC1 1588947492 QKCMPBINPADAHH-UHFFFAOYSA-N 483.523 2.483 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1589506317 UWVGJCFSVJILEI-NEWSRXKRSA-N 461.544 2.458 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1594492185 UPMXMZUJEFYQGP-QGZVFWFLSA-N 454.579 2.265 30 10 JEEE C=CC[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC2(CC1)COC(=O)N2)c1ccccc1 1594536350 XECALMSYAXTESC-HKUYNNGSSA-N 488.614 2.327 30 10 JEEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1594807351 MCTSEMFQSSRXAW-IBGZPJMESA-N 455.519 2.057 30 10 JEEE C=CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@]1(N2CCOCC2)CCSC1 1594866557 DTVZDOXSECDYFK-FGZHOGPDSA-N 451.637 2.149 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H]2COCCO2)C1 1595754900 RECUSVKQTHMWFW-HCXYKTFWSA-N 463.579 2.246 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(CN2CCCCC2)cc1 1609506547 BZWWSZKGKLEGSV-NRFANRHFSA-N 451.575 2.179 30 10 JEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](CCO)c2ccccc2Br)cc1 1611468257 NZVBZVJWHPPKHE-SFHVURJKSA-N 451.342 2.214 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1cc(Br)cs1 1611686302 DKROLAPDSZOYQJ-BMIGLBTASA-N 477.385 2.203 30 10 JEEE CCO[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1616593179 AONSGZILYJSLEA-AZUAARDMSA-N 458.588 2.104 30 10 JEEE CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)N2CCC[C@@H](C)C2)CC1 1618826559 GSSZQKZWXLWNMM-RTBURBONSA-N 450.591 2.399 30 10 JEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2COc3cc(F)c(Br)cc32)cc1 1626056786 KNOUJZNVXYTZPR-INIZCTEOSA-N 453.289 2.363 30 10 JEEE C=CCOC[C@H](NS(=O)(=O)c1cc(Br)ccc1Br)C(=O)OC 1661652737 HSYIQRPETROKAU-NSHDSACASA-N 457.140 2.234 30 10 JEEE C=CCCC[C@H](NS(=O)(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1)C(=O)OC 1671557610 WSXCQQUQFFAABZ-IBGZPJMESA-N 458.602 2.428 30 10 JEEE C=CC[C@H](NC(=O)NCC[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)c1ccncc1 1684647942 BKPJYYRGOBHLBG-MSOLQXFVSA-N 452.577 2.422 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@]1(O)CCO[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1689983576 DCAOOVMSYGDXLO-IUSZMWJPSA-N 499.420 2.419 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2c(F)cccc2F)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1690021001 DHKGDPZQQBYQRG-XMSQKQJNSA-N 487.576 2.424 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1CCC2(C1)OCCO2 1690093708 HNZKZUIUTOFWLT-LJQANCHMSA-N 487.988 2.491 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(Br)s2)n1CC1(O)CCOCC1 1690095814 DHYAMXIWYKMCRA-UHFFFAOYSA-N 455.378 2.397 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCOCCS(C)(=O)=O 1690216635 RLWDVJOENNCWMO-JBYIUTFZSA-N 452.621 2.250 30 10 JEEE C=C(C)COCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1690306900 JDTWNKSUOCFOTP-UHFFFAOYSA-N 463.586 2.154 30 10 JEEE C=C(Cn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1)c1ccccc1 1690324674 WRHCYFGKQRBHMU-NRFANRHFSA-N 466.586 2.406 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCN(CCN2[C@@H](C)CC[C@@H]2C)CC1 1690672781 CVXPNHLSIMSIRQ-SFTDATJTSA-N 483.636 2.305 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Br)cc2)nnc1N1CCC[C@H](CC(N)=O)C1 1690676219 SVNOUNVIJQVGMJ-OAHLLOKOSA-N 491.390 2.014 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(NC(C)=O)nc2)C1 1690712592 YYIVEJCIYCDNEO-GOSISDBHSA-N 481.582 2.453 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1690729124 HERURDVTQBSSCY-IUKKYPGJSA-N 494.589 2.370 30 10 JEEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1690734216 YTRYPWJAKQPUCF-OAHLLOKOSA-N 486.067 2.183 30 10 JEEE CC(C)N1CCC[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@H](C(N)=O)C2)C1 1692486197 FKHYJCSEAJTSDJ-UXHICEINSA-N 451.575 2.161 30 10 JEEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](c1cccc(C)c1)N1CCOCC1 1705540473 AUZHYJRXDXWMBX-NRFANRHFSA-N 459.554 2.377 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1cccc(N2CCOCC2)c1)[C@@H]1CCS(=O)(=O)C1 1705566456 NOLBPTWUVRBVDB-JOCHJYFZSA-N 485.654 2.378 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC2(SC)CCC2)CC1 1705634394 ULRBNCYGCGSNBI-UHFFFAOYSA-N 488.683 2.236 30 10 JEEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCCCOc2ccc(C)cc2)CC1 1705642021 CUMJRSQQGXZKRL-UHFFFAOYSA-N 450.587 2.323 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC2(SC)CCC2)CC1 1705645376 RUWVFTPBHKQIGC-HSZRJFAPSA-N 461.632 2.182 30 10 JEEE C=CCC(C)(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@H](S(C)(=O)=O)C1 1705789781 XEIRIPJXHSOEPE-INIZCTEOSA-N 470.599 2.418 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCCN(c2nc(C)ns2)CC1 1705898971 DMGUVTQYYYULQS-UHFFFAOYSA-N 452.588 2.432 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2sccc2C)C1 1705926101 YMYGHKPDJXNWEO-ROUUACIJSA-N 481.644 2.005 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CC[C@@](O)(c2ccc(C)cc2)C1 1705937014 FONAAKZGDDQWNE-DEOSSOPVSA-N 467.595 2.271 30 10 JEEE CC(=O)NC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCc2cccc(C)n2)CCO1 1706054438 BSVISBKBXHLASB-QHCPKHFHSA-N 475.553 2.016 30 10 JEEE CC(C)CCN(CCC#N)c1nnc(-c2nnc(O)c3ccccc23)n1CC(=O)N1CCOCC1 1706461583 GESAMDWUOIPLQF-UHFFFAOYSA-N 478.557 2.219 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1CC(C)(C)c1ccc2c(c1)OCCO2 1706848666 GUFQNVINBRLEJL-HOTGVXAUSA-N 476.603 2.376 30 10 JEEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](c2nnc(C(C)C)o2)C1 1709842656 GRQVOAQFYGFADS-GOSISDBHSA-N 464.530 2.427 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CCCCN1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1722367130 UUIOYBHSGKUADF-QHCPKHFHSA-N 484.670 2.403 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1ccc(OC)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1722369436 ZFCBEJCLVQNFNX-GOSISDBHSA-N 469.542 2.471 30 10 JEEE C#CCN(CC#CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@H]1NC(=O)CC1(C)C 1722399410 STQODUJYCVQRIY-XMMPIXPASA-N 487.652 2.020 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1ncnn1C(C)(C)C 1722450152 YUQKUCVUCKXUGR-UHFFFAOYSA-N 461.530 2.075 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1Cc1ccccc1S(=O)(=O)N(C)C 1722466406 UDTVBFMIJBGQGP-XMMPIXPASA-N 493.593 2.216 30 10 JEEE C=C(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC(NC(=O)COC)CC1 1722519860 SKECAAPWKZOYOF-UHFFFAOYSA-N 459.547 2.278 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(CC(=O)N(C)C)CC1 1722554636 FTZFTSMGAPNCFF-GOSISDBHSA-N 496.056 2.355 30 10 JEEE C=CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1722611424 JNGMLASJNAVINQ-KDURUIRLSA-N 451.579 2.432 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccco1 1722672895 BVRLLUYZXSZHNK-OAQYLSRUSA-N 471.583 2.487 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1722688586 GOMHPOQULNPZAX-AWEZNQCLSA-N 461.364 2.067 30 10 JEEE C=CCOc1ccc(Cn2c(N3CC(=O)N(C)[C@@H](C)C3)nnc2[C@]2(OCC)CCOC2)cc1 1722704019 AHFWMVMBUXWCKM-UUOWRZLLSA-N 455.559 2.210 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCCNC(=O)OC(C)(C)C)C1 1722718905 OOZSCKGTLULCGN-QZTJIDSGSA-N 483.635 2.266 30 10 JEEE N#Cc1ccc(-c2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2C[C@H]2CCCS(=O)(=O)C2)cc1 1731184101 AHYTZQIYJGCNKF-NVXWUHKLSA-N 469.489 2.409 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2Br)n1CCS(=O)(=O)NC(C)C 1740546852 YYHKOTSLRYWQJO-AWEZNQCLSA-N 454.394 2.493 30 10 JEEE C#CCN(c1nnc(C(C)C)n1CCCN1CCc2ccccc2C1)[C@H]1CCS(=O)(=O)C1 1740617499 SEUPRXHBBLWEFF-QFIPXVFZSA-N 455.628 2.477 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(Br)c2)n1Cc1cn(C2COC2)nn1 1740646591 FNKQURAJESJJPQ-UHFFFAOYSA-N 466.343 2.382 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2OC)n1CCNC(=O)c1cc[nH]n1 1740649179 ZEFHTIZOPOHCBH-UHFFFAOYSA-N 451.918 2.223 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCc2cccc(OC)c2)CC1 1740699721 QLKULIKYNICDNY-UHFFFAOYSA-N 464.595 2.276 30 10 JEEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2c(Cl)cccc2C1 1740717017 HEEWXUAORLHZAV-IBGZPJMESA-N 496.058 2.194 30 10 JEEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1740786698 METXJONJHDQRIB-WZONZLPQSA-N 456.547 2.292 30 10 JEEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 1740801522 BSIZTAQOXLABMZ-AWEZNQCLSA-N 487.413 2.143 30 10 JEEE C=CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCN2CCN(CC)CC2)CC1 1740834325 ROSAOVSBRLGQKV-UHFFFAOYSA-N 452.607 2.355 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCS(=O)(=O)CC1 1740988199 WPTSHUDNXRCDIU-UHFFFAOYSA-N 484.669 2.111 30 10 JEEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1741003121 OWYKHKWHDQSART-TYPHKJRUSA-N 462.664 2.080 30 10 JEEE CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCO[C@@H]2C(C)C)CC1 1746511161 CPOPXVAUZFZEBE-FYYLOGMGSA-N 465.602 2.136 30 10 JEEE C#CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN(C(=O)COC)CC1 1748751275 VNSJGGPRCUVBRK-UHFFFAOYSA-N 474.606 2.101 30 10 JEEE C#CCN(c1nnc([C@@H](C)CC)n1CC(=O)N(C)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1748804443 HTTAJRARRSNJRP-AZUAARDMSA-N 457.600 2.077 30 10 JEEE C#CCN(c1nnc(-c2ccc(OCC)c(OC)c2)n1Cc1cnn(C)c1C)[C@@H]1CCS(=O)(=O)C1 1748809392 MGEAIUHVIBIBAX-HXUWFJFHSA-N 498.609 2.069 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CCN1CCCC[C@@H]1CC)[C@H]1CCS(=O)(=O)C1 1748819404 OEFYRYMRCHHBKC-VXKWHMMOSA-N 470.643 2.155 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1749103135 RYTSXVONCZDTGX-MSOLQXFVSA-N 453.429 2.297 30 10 JEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2CCN(CC(F)(F)F)CC2)CC1 1749286434 LADMCNSEEWBOLV-OAHLLOKOSA-N 464.558 2.319 30 10 JEEE C=CCCOCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCO[C@H](C(F)(F)F)C1 1749449385 MKSMQGPEWJAWGO-KRWDZBQOSA-N 464.452 2.281 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCOCC2)cc1 1749575247 OKEHKXVHTHDNDD-FQEVSTJZSA-N 457.600 2.244 30 10 JEEE COCCC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)CC1 1749629707 HBXVBEGJVCCKDI-SFHVURJKSA-N 488.614 2.016 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1749655056 BTNZYQFHJIALSV-GOSISDBHSA-N 484.601 2.396 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCC(CN(C)C(C)C)CC1 1749676470 REVZWYXSIQJWKL-UHFFFAOYSA-N 464.618 2.375 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2Cc2ccc(C(N)=O)nc2)C1 1749715273 RIFKBPQWKSSSDS-INIZCTEOSA-N 454.481 2.471 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCS[C@H](C(C)C)C1 1749721657 QHMFNEAWSRWBTR-INIZCTEOSA-N 464.617 2.104 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC1(S(C)(=O)=O)CCCC1 1760120493 MGBADQLAAPYRIX-JOCHJYFZSA-N 498.697 2.458 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@]1(O)CCS(=O)(=O)C1 1760123501 GXPKTFQSSZGDIG-BFUOFWGJSA-N 473.382 2.171 30 10 JEEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 1760141144 KUPMPNHQTTUIHE-GOSISDBHSA-N 453.543 2.275 30 10 JEEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(Oc2cccnc2)c(F)c1 1760162827 HPSBLLBIXZBTFM-OAHLLOKOSA-N 458.519 2.332 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@@H]1CCC[C@H]1OC)[C@@H]1CCS(=O)(=O)C1 1760180867 MHGMSSRHGXYTAZ-QKNQBKEWSA-N 458.584 2.396 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@]1(O)CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1760191011 ZDTAOHNURYOABB-XMSQKQJNSA-N 477.656 2.202 30 10 JEEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1CCN1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 1760191738 MNFBJEOYGREGCE-JOCHJYFZSA-N 483.638 2.363 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H](c1ccc(C)cc1)N1CCOCC1 1760208270 PAJJRGKAGDOBGH-SDHOMARFSA-N 477.609 2.457 30 10 JEEE C#CCN(CC#CC)c1nnc(COc2ccc(OC)cc2)n1CC1CCS(=O)(=O)CC1 1760223189 ODRKEPNJZBIBSZ-UHFFFAOYSA-N 456.568 2.153 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)N1CCOCC1 1760318284 FHLPUGCACJLDNJ-UNMCSNQZSA-N 450.543 2.093 30 10 JEEE C=CCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1760442112 GOOGQFRFODTARL-UHFFFAOYSA-N 466.586 2.367 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(C)=O)C[C@H]1C)C(C)C 1760488302 RFTGZXBFAWDOSU-IRLDBZIGSA-N 471.650 2.270 30 10 JEEE C=CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1C[C@H]1CCCN(C(C)=O)C1 1760505390 SSIXYRCDRAFGES-FQEVSTJZSA-N 451.575 2.414 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)[C@H](CC)C1 1760523084 LTYCMSQSMZKSKX-SJORKVTESA-N 470.578 2.167 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCN2CCCCC2=O)C1 1760534591 BWQDWXOJWAURQF-GOSISDBHSA-N 453.547 2.109 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)C[C@H]1CCOC1 1760548433 GRYUMBCMUNITGB-GOSISDBHSA-N 461.588 2.221 30 10 JEEE C=CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1760561503 CBMWWQCISPCUPV-GOSISDBHSA-N 467.603 2.335 30 10 JEEE CC(C)Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC1(S(C)(=O)=O)CCCC1 1761035656 ALEZRKJHNICOES-UHFFFAOYSA-N 471.631 2.427 30 10 JEEE CCCNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCS(=O)(=O)C2)C1 1766183591 DYZJGPGQTKPCOS-CTNGQTDRSA-N 484.626 2.384 30 10 JEEE N#Cc1ccccc1S(=O)(=O)Nc1ccc(NC(=O)[C@@H]2CCCN2C(=O)C(F)(F)F)nc1 1858293230 QDPHTCZSMPHQKR-AWEZNQCLSA-N 467.429 2.246 30 10 JEEE Nc1cccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc3c(c2)OCCO3)c1 1862560347 DFEGJEAKDYBZHZ-HSZRJFAPSA-N 479.533 2.341 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(C(=O)O)cc2)cc1F 1862639862 IWJKETUTRPOLBS-NRFANRHFSA-N 484.480 2.443 30 10 JEEE CCC[C@H](NC(=O)c1ccc2c(c1)C(=O)N([C@@H](C)C(=O)O)C2=O)C(=O)N[C@H](C#N)c1ccc(C)cc1 1867490253 OQNBJXJPTREORW-ONGXBYRLSA-N 490.516 2.344 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)COc2cn(C[C@H]3CCCO3)c(CN(C)C)cc2=O)nc1C 1870323180 KMVRAFKGQCDDGL-QGZVFWFLSA-N 490.582 2.214 30 10 JEEE C=CCN(CC=C)c1nc(=NCCN2C(=O)CSC2=O)[nH]c(=Nc2ccc3cc[nH]c3c2)[nH]1 1871590067 WZPZNLUQPIXSAY-UHFFFAOYSA-N 464.555 2.226 30 10 JEEE CCOc1ccc(OCc2nnc(SCC(N)=O)n2/N=C/c2cc(OC)c(O)c(OC)c2)cc1 1874235361 DYJNKXKHYDJDSB-BHGWPJFGSA-N 487.538 2.438 30 10 JEEE O=C(NCC#CCN1CCc2ccccc2C1)[C@H]1SCC(=O)N(C2CC2)[C@H]1c1cccnc1 1889492780 UXAKPAAHOOVHHL-DQEYMECFSA-N 460.603 2.407 30 10 JEEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)c3ccccc3S(=O)(=O)C(F)F)CC2)CC1 1890368252 DHZILJJNZDDYBM-UHFFFAOYSA-N 497.608 2.334 30 10 JEEE C#CCNC(=O)CNC(=O)c1cc(I)cc(NC(=O)OC(C)(C)C)c1 2068311650 WAEAVUGMGWYEOK-UHFFFAOYSA-N 457.268 2.117 30 10 JEEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)CC1 2247881206 UFKRISBTBHNRPT-UHFFFAOYSA-N 458.411 2.289 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]1NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2255745885 UBBMZDUUIPHXHW-GJZGRUSLSA-N 456.345 2.069 30 10 JEEE Cc1sc(C(=O)NC[C@@](C)(CO)NC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2255843613 JIKDAQKSPYRTHV-NRFANRHFSA-N 454.398 2.361 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H]1CNS(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2255933237 LXQDDGORDLSJNJ-OAHLLOKOSA-N 452.382 2.274 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(CNC(=O)[C@H](O)[C@@H](C)NC(=O)OC(C)(C)C)s1 2256621005 PJMVYQYPZKVRLJ-CZUORRHYSA-N 454.398 2.246 30 10 JEEE CC(C)(C)OC(=O)N[C@]1(C(=O)NCc2cc(B3OC(C)(C)C(C)(C)O3)cs2)C[C@H](O)C1 2256668832 GTXUSGSKIOSKMB-QCKZDCLWSA-N 452.382 2.082 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](OCC(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C1 2256670704 IEZZKMXAVLLGOH-ZDUSSCGKSA-N 453.370 2.407 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1)[C@H]1CCOC1 2256677106 ADKSTUJTZZGZHH-GXTWGEPZSA-N 453.370 2.311 30 10 JEEE Cc1nc(C(=O)N2CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]2C)c(B2OC(C)(C)C(C)(C)O2)s1 2267168738 FGASZWWJSMIVPS-CMPLNLGQSA-N 461.315 2.422 30 10 JEEE CC(C)(C)OC(=O)NCCc1nc(=NC(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)s[nH]1 2267195406 KPUSXQRHDXTLSS-UHFFFAOYSA-N 481.409 2.035 30 10 JEEE CCO[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)[C@H]1NC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2267475404 KELRLRHQDRNZAW-MGPQQGTHSA-N 467.397 2.243 30 10 JEEE CN(CC(C)(C)CNC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1)C(=O)OC(C)(C)C 2267497338 BKWROALKUWANMD-UHFFFAOYSA-N 450.389 2.342 30 10 JEEE Cc1csc(CNC(=O)C2(CO)CN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2268638975 LGKQFVLUJWUIRT-UHFFFAOYSA-N 466.409 2.201 30 10 JEEE Cc1c(C(=O)N[C@@H]2[C@@H]3CCCN(C(=O)OC(C)(C)C)[C@@H]32)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281803383 WJBXAMPMHISVTD-UAGQMJEPSA-N 460.384 2.155 30 10 JEEE C[C@H](NC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 2281811868 KLOJFXXLMKNSRA-HOTGVXAUSA-N 462.400 2.485 30 10 JEEE Cn1nc(C(=O)N[C@]23CCCN(C(=O)OC(C)(C)C)C[C@@H]2C3)cc1B1OC(C)(C)C(C)(C)O1 2281977637 RYGDEVPJYLRQDC-WNSKOXEYSA-N 460.384 2.239 30 10 JEEE Cc1nn(C)c(C(=O)NCC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2281984919 GTUQCSUISWUDAF-MRXNPFEDSA-N 462.400 2.405 30 10 JEEE Cc1nn(C)c(C(=O)N2CC[C@@](C)(CNC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2281991968 HYZXMOFXKWKJFC-QHCPKHFHSA-N 462.400 2.405 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1[C@@H]2CCCCN(C(=O)OC(C)(C)C)[C@@H]21 2282042397 GSVPCWHXGLYZDR-UAGQMJEPSA-N 460.384 2.237 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@H]2CCN(C(=O)c3ccoc3B3OC(C)(C)C(C)(C)O3)C[C@H]21 2282203667 PLJHPCZUORXGDC-SJORKVTESA-N 462.352 2.429 30 10 JEEE Cc1c(C(=O)NC[C@H]2[C@@H](C)CCN2C(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282544834 UOTFFTKKGMDWOH-HOCLYGCPSA-N 462.400 2.403 30 10 JEEE Cc1ccnc(C(=O)NCCN(C[C@@H](C)O)C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2282574134 KSNPUJSLIQUJIM-MRXNPFEDSA-N 463.384 2.037 30 10 JEEE CC(C)(C)OC(=O)N1CC(F)(F)C[C@@]1(C)CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2282576391 PZVBVBOJOROPQW-FQEVSTJZSA-N 470.326 2.474 30 10 JEEE Cn1cc(C(=O)N[C@H]2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)c(B2OC(C)(C)C(C)(C)O2)n1 2282589127 YOXGJZODAIFNMG-ZSHCYNCHSA-N 460.384 2.095 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)Nc1cccnc1NC(=O)OC(C)(C)C 2282867995 HBWBSQVPTRGLES-UHFFFAOYSA-N 479.368 2.262 30 10 JEEE C[C@@H]1C[C@H](NC(=O)C(F)(F)F)CCN1S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282875059 JWNFWAXEZOWOHL-TZMCWYRMSA-N 496.382 2.409 30 10 JEEE CC(C)(C)OC(=O)N1CCCN(CC(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)CC1 2283954564 GNYXLXMBZFQGPL-UHFFFAOYSA-N 460.384 2.262 30 10 JEEE CC(C)(C)OC(=O)N[C@H](C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1)[C@H](O)C(F)(F)F 2284059271 FRVAMHJOIROCEB-KBPBESRZSA-N 475.273 2.136 30 10 JEEE Cc1ccc(N2C(=O)C(=Cc3ccc(CN(CCC#N)S(C)(=O)=O)o3)C(=O)NC2=S)cc1C 2297560383 QVVWRKPNVWEIEZ-UHFFFAOYSA-N 486.575 2.403 30 10 JEEE COc1ccc(N2C[C@H](c3nnc(SCC(N)=O)n3N=Cc3ccccc3[N+](=O)[O-])CC2=O)cc1 2325880552 DNNIBONTOPZAGC-OAHLLOKOSA-N 495.521 2.175 30 10 JEEE NC(=O)CSc1nnc(COc2cc(F)ccc2F)n1N=Cc1ccc(O)c([N+](=O)[O-])c1 2327441626 BQUQFJWDILQGOP-UHFFFAOYSA-N 464.410 2.209 30 10 JEEE N#Cc1ccccc1S(=O)(=O)N1CCN([C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)CC1 15463224 NVVKTLZVOBBJOK-SFHVURJKSA-N 492.479 2.215 30 10 JEEE COC(=O)c1ccc(/C=N/Nc2nnc(SCCC(=O)NCc3ccc(F)cc3)n2N)cc1 20914179 PFRXIZSGFSOHRR-DHRITJCHSA-N 471.518 2.162 30 10 JEEE C=CCn1c(=O)c2ccc(C(=O)N[C@H](C)CC)cc2n2c(=O)n(CC(=O)Nc3ccccc3)nc12 64581544 AHIAQNIVNDPNEP-MRXNPFEDSA-N 474.521 2.164 30 10 JEEE O=C(N[C@@H]1CCNC[C@H]1C(=O)/C=C/c1ccc([N+](=O)[O-])s1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 585838892 MQJSXRGXBMOWLU-SYLAGYCLSA-N 475.439 2.463 30 10 JEEE COc1ccc(-n2c(=C(C#N)C(=O)NC3CCCC3)sc(=Cc3cnn4ccccc34)c2=O)cc1 729668241 CUGBKWPJQFYWSL-UHFFFAOYSA-N 485.569 2.117 30 10 JEEE C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N(CC)CC 1214485740 YDUMPFUIVFCXEB-UWJYYQICSA-N 466.604 2.266 30 10 JEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 1286324296 OGZPIUPRCMTZDJ-HXUWFJFHSA-N 461.632 2.355 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1CC(C)(C)N1CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1286398457 JRJLVGHUTZYUBS-VAMGGRTRSA-N 463.648 2.267 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1c[nH]c2ccccc12 1286446094 DFCCANLHOSIGAO-OAQYLSRUSA-N 470.599 2.185 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1[C@H]1C[C@H](c2ccccc2F)C1 1286448290 RMSKDPKKCRZYTQ-MBOZVWFJSA-N 461.563 2.328 30 10 JEEE C#CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](OC)C1 1286509968 ZGPXCELXEMPZLV-IRXDYDNUSA-N 451.593 2.178 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2c(n1)CCCC2 1286581341 INBGNHQDWYCXTM-NRFANRHFSA-N 474.631 2.336 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCSCC(F)(F)F)CC1 1286646410 QQGFGGPGMRNXGK-AWEZNQCLSA-N 469.555 2.063 30 10 JEEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 1286693455 QDBVSKXZRQLSLO-MRXNPFEDSA-N 466.633 2.187 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2c(c1)CCCN2C 1286758361 LHMYJZUTRUAXNM-QFIPXVFZSA-N 486.642 2.220 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC(CNC(C)=O)CC1 1286779021 GLSINAMMMOEHGI-MRXNPFEDSA-N 458.538 2.212 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@@](C)(C(=O)NC)C1 1286816956 OJOMWAIUWIWDNI-OAQYLSRUSA-N 482.006 2.170 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@H](C)[C@@H](C)C1 1286819331 GYMKAYFJRYEPCO-SJORKVTESA-N 470.599 2.275 30 10 JEEE Cc1cc(C)n([C@@H]2CCCN(c3nnc(COc4ccc(C#N)cc4)n3CCS(C)(=O)=O)C2)n1 1290585650 FIBRHPGYECRJRE-HXUWFJFHSA-N 483.598 2.428 30 10 JEEE COC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 1299475894 AIYOGGFAFNWPHR-UHFFFAOYSA-N 490.630 2.119 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H](C)CN1CCN(CC)CC1 1300321303 KJPDKUOYHVGJLA-RBUKOAKNSA-N 457.648 2.001 30 10 JEEE C#CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC[C@@H](C(=O)NC)C1 1300356747 FJEVWERBJWBTKN-GOSISDBHSA-N 461.570 2.441 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H](C)c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1300487680 LCZPPLWDOZRLLI-OXQOHEQNSA-N 456.547 2.248 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1cc(F)ccc1OC)[C@@H]1CCS(=O)(=O)C1 1300490900 CRLQZLUIYHUFHC-LJQANCHMSA-N 469.542 2.471 30 10 JEEE C=CCCOCCn1c([C@@H]2CCCCO2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1301253509 ZXPHFTUSDWADAL-FCEUIQTBSA-N 460.623 2.101 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC(O)(Cc2ccccc2F)CC1 1301491096 LMAOLVNRCCPODL-UHFFFAOYSA-N 450.518 2.355 30 10 JEEE COCCN1C[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(CC(C)C)C(=O)[C@H]2C)CC1=O 1301859994 GWZSXLQAWFIVHG-TZIWHRDSSA-N 493.612 2.005 30 10 JEEE C#CCSCC(=O)NCCN1C(=O)S/C(=C\c2cc(OC)c(OC)c(OC)c2)C1=O 1349695543 GCONBOVFWUVHGM-WJDWOHSUSA-N 450.538 2.231 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1358888145 HXMSSFIJMVGLAT-IOGQSSPCSA-N 497.600 2.377 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CC[C@@](C)(CC)O1)[C@@H]1CCS(=O)(=O)C1 1358962087 KCJNXMCLCUUSNM-MDPIYQRISA-N 450.605 2.494 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1cccnc1OCC 1358971590 AVWIMQAPTPGEMA-UHFFFAOYSA-N 478.578 2.110 30 10 JEEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H]1CCCN1CCCO 1358978073 COQKFVCMFYBPHU-JOCHJYFZSA-N 484.645 2.312 30 10 JEEE C#CCN(CC#CC)c1nnc(C2(c3ccccc3)CCC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1358985500 ACYLRKUKQCLVEE-NRFANRHFSA-N 465.623 2.493 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2Cc2cc(F)ccc2OC)CC1 1359043450 ULNPKLHZJIJWGB-UHFFFAOYSA-N 450.518 2.445 30 10 JEEE C#CCSCCn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1359049926 YZIOCGDVKDBFMY-MSOLQXFVSA-N 470.599 2.397 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCNS(C)(=O)=O 1359069966 CBHKFMDFYPOBAP-WZONZLPQSA-N 494.662 2.324 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1359133441 RVWASTYQRSOXAP-LEWJYISDSA-N 474.650 2.334 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[C@H]2CCO[C@H](C)C2)CC1 1359179469 WDWTYVXDYSNXOU-HOJAQTOUSA-N 467.636 2.219 30 10 JEEE C=CCCCCn1c([C@@H]2CCOC2)nnc1N1C[C@@H]2[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1359203855 XMDVOKLVQSRKSD-AKHDSKFASA-N 495.646 2.265 30 10 JEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 1359228039 RYNLZJSFGCHZSB-FQEVSTJZSA-N 479.647 2.144 30 10 JEEE C=CCN(CC=C)c1nnc(-c2cc(OC)cc(OC)c2)n1CC1(O)CCS(=O)(=O)CC1 1359267597 LZLSEVQOERSGGF-UHFFFAOYSA-N 462.572 2.080 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@@H](C(N)=O)C1 1359327802 KTUCAYYDKUIZQH-RBUKOAKNSA-N 475.615 2.337 30 10 JEEE C=CCN1C(=O)C(=O)N(CC(=O)NCc2csc(-c3ccc(C(F)(F)F)cc3)n2)C1=O 1444887322 HRDWIOIHXXUVLI-UHFFFAOYSA-N 452.414 2.422 30 10 JEEE C#CCN(C)C(=O)Nc1ccc(N2CCOCC2)c(S(=O)(=O)Nc2ccc(OC)cc2)c1 1465194337 PBPUIAFLMUUMJD-UHFFFAOYSA-N 458.540 2.430 30 10 JEEE N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCOC[C@@H]2c2noc(-c3ccccc3)n2)cc1 1466792315 DKXQAHMZAYGKQH-LJQANCHMSA-N 452.492 2.123 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1C[C@H]1COCCO1 1497005954 BZPOFPUIZMMNKR-QHCPKHFHSA-N 495.628 2.196 30 10 JEEE CN(C(=O)OC(C)(C)C)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ncn(C)n2)C1 1503352343 GRQAILXJYHCQSP-GOSISDBHSA-N 463.546 2.439 30 10 JEEE COCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1504853935 DAAJXAOHCQWXBE-QGZVFWFLSA-N 465.524 2.468 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2Cc2cccn(CC)c2=O)c1 1507550478 LLHZUWGSLNMFIL-NRFANRHFSA-N 474.565 2.458 30 10 JEEE C#CCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1507588080 FVOJIPRGZLWZKV-NRFANRHFSA-N 473.599 2.454 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCCCO2)n1CCC[C@@H]1NC(=O)NC1=O 1507701440 GXRGHUCDEXAXIN-OALUTQOASA-N 454.506 2.287 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2Cc2cc(F)ccc2N2CCOCC2)CC1 1507742282 FVQKUVNAFXRCRY-UHFFFAOYSA-N 482.604 2.466 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CCN1CCOCC1 1507795285 HPMWOMKMIVRHJO-IRLDBZIGSA-N 489.642 2.098 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N(C)Cc1cccc(C(N)=O)c1 1507805639 KNAPKQBKYRDXGL-SIKLNZKXSA-N 452.559 2.117 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](OC(C)(C)C)C1 1507869082 RFZRIOUKBSKCMD-HOTGVXAUSA-N 462.016 2.147 30 10 JEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(-c3n[nH]c(C)n3)cc2)CC1 1507880345 HOQUMKNBELCBTO-HNNXBMFYSA-N 456.576 2.187 30 10 JEEE C=CCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1507959366 MGQSQXOZTQGHDW-QFIPXVFZSA-N 463.586 2.152 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(CCOC)[C@H](C)C1 1508141462 VRLTVSHSYWWXMH-LJQANCHMSA-N 486.642 2.195 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@@H](COCC)C1 1508145537 MQSOCMGEPDOUFX-YLJYHZDGSA-N 462.572 2.254 30 10 JEEE C=CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCC(=O)NC 1508160555 GLKLTWGNQSMUHY-MRXNPFEDSA-N 468.624 2.078 30 10 JEEE C=CCSCCn1c(N2CC[C@](C)(N3CCOCC3)C2)nnc1[C@@]1(OCC)CCOC1 1508169091 XSSCVTWUODXVQE-FCHUYYIVSA-N 451.637 2.150 30 10 JEEE CC(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN(C)CC(F)(F)F)CC1 1508340581 CKBALYTWFYEZHS-UHFFFAOYSA-N 479.507 2.328 30 10 JEEE CC(C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1508734870 BVTVEIDLYLZRQE-UHFFFAOYSA-N 452.544 2.294 30 10 JEEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)N2CCSCC2)CC(C)(C)O1 1512417826 AUSSLHUWWHHWPG-KRWDZBQOSA-N 490.655 2.199 30 10 JEEE CN(Cc1ccc(C#N)cc1)c1nnc(-c2cccn2C)n1CCS(=O)(=O)N1CCSCC1 1517105021 CGQYKWHZMAQETN-UHFFFAOYSA-N 485.639 2.170 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CCn1cc(Br)cn1 1539030158 NZNPCNMLEZYKAP-CYBMUJFWSA-N 462.377 2.387 30 10 JEEE C#CCCCCn1c(-c2ccccc2OC)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1539059987 KZEMOLDGNJWHOJ-NRFANRHFSA-N 450.587 2.500 30 10 JEEE C#CCN(C)c1nnc(COc2ccc(F)cc2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1539195061 LBWSLAGARULWSM-UHFFFAOYSA-N 454.506 2.320 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1CCc1ccncc1)[C@@H]1CCS(=O)(=O)C1 1539211467 MFTCYOBKAPGDII-LJQANCHMSA-N 451.552 2.218 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H](C)COc1ccccc1OC)[C@H]1CCS(=O)(=O)C1 1539215742 IAPFGCZASMOKBP-MOPGFXCFSA-N 496.593 2.086 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1Cc1ccc(F)cn1)[C@@H]1CCS(=O)(=O)C1 1539220902 WKMAMKQQHNTWTB-HXUWFJFHSA-N 457.506 2.217 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2Cc2nccc(C(F)F)n2)CC1 1539434743 UVNCYRZZXYVYSV-UHFFFAOYSA-N 469.496 2.493 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCOc2cccc(C)c2)CC1 1539466571 CAHKHPPXNTUUNP-UHFFFAOYSA-N 487.564 2.279 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2Cc2ncccc2N(C)C)CC1 1539489146 HRKVIUVMVKPBCD-UHFFFAOYSA-N 491.571 2.471 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C#N)c2)n1CCS(=O)(=O)N1CCSCC1 1539548824 WZAPDNHABNWXMW-JOCHJYFZSA-N 470.624 2.187 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1539634260 ADRPNZBPQKBUDY-FUDKSRODSA-N 488.658 2.353 30 10 JEEE C=C(C)COCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC(C(=O)NC)CC1 1539722447 NQPINRWXYWHKBZ-UHFFFAOYSA-N 474.993 2.417 30 10 JEEE C=CCN(C)c1nnc(CSc2ccccc2OC)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1540088512 LXCREHCIWFQSLD-MRXNPFEDSA-N 451.618 2.483 30 10 JEEE C=CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1540853478 PURHXUUXYIOVHD-UHFFFAOYSA-N 465.602 2.468 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1540871508 NFJBEABYLMKVIF-MAUKXSAKSA-N 480.491 2.166 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N1C[C@H](C)O[C@@H](C)C1 1540898197 CKOFEBBYOIZJSX-KBPBESRZSA-N 472.409 2.261 30 10 JEEE CC(C)N1CCC[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@](C)(C#N)C2)C1 1541934690 CKUOUEYIMBWEPQ-BBTUJRGHSA-N 451.641 2.139 30 10 JEEE C=CCN(CC(=O)Nc1nc(-c2ccc(OC)cc2OC)cs1)[C@@H]1CCS(=O)(=O)C1 1559607324 ILEDLZNFEDONQM-CQSZACIVSA-N 451.570 2.441 30 10 JEEE C#CCn1ccc(CN(CCOC)C(=O)[C@H]2CC(=O)N(c3cccc(Br)c3)C2)n1 1586565457 QFSWSZDXJUWEDS-INIZCTEOSA-N 459.344 2.307 30 10 JEEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(c2nccc(OC)n2)CC1 1587718698 MGTSVOBVYOJHJX-UHFFFAOYSA-N 495.609 2.277 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2[C@H]2C[C@H]2C)CC1 1588885833 ZUDSCMYFQFUUNF-BEFAXECRSA-N 454.962 2.408 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC1(C(N)=O)CCOCC1 1589142455 IAZXTPNFPHTHPX-XMMPIXPASA-N 464.570 2.421 30 10 JEEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1589296163 PDSVPTLCLVTPSK-SNVBAGLBSA-N 498.329 2.032 30 10 JEEE C=C(Br)Cn1c(COc2ccccc2OCC)nnc1N1CC[C@@H](C(N)=O)C1 1589449318 AODNERWALXDLLR-CQSZACIVSA-N 450.337 2.476 30 10 JEEE C=CCC(C)(C)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1594473747 ZDWWALFHQNJACB-LJQANCHMSA-N 496.612 2.490 30 10 JEEE C=CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1594720110 CTDVTJYMOPYTLR-INIZCTEOSA-N 451.531 2.435 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(N(C)C)CCC1 1595161470 AXEHHAMNKWTJQY-LJQANCHMSA-N 494.687 2.349 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(OC)CCOC1 1595303443 SWMFSWWEXXTARN-WZONZLPQSA-N 481.594 2.031 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@H](CNC(C)=O)C1 1595788410 ABZUUDCXARSGQN-GOSISDBHSA-N 470.599 2.380 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 1595797116 DTKZAIJLQFFMQR-ROUUACIJSA-N 483.635 2.124 30 10 JEEE N#C[C@@H]1CN(c2nnc(COc3ccc(Cl)cc3Cl)n2CC2(O)CCOCC2)CCO1 1620356719 GNZJYPXSMYABHG-OAHLLOKOSA-N 468.341 2.434 30 10 JEEE N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)C[C@@H]2NC(=O)c3ccccc3NC2=O)CC1 1635679577 GAOPLCWJZNEOEK-VQTJNVASSA-N 451.914 2.190 30 10 JEEE CCN(CC)C(=O)CN1CCC(NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 1636096040 ASDSAKGCIMHENE-QGZVFWFLSA-N 459.978 2.014 30 10 JEEE CC#CC[C@@H](CO)NC(=O)c1cc(S(=O)(=O)NCCOc2ccccc2)ccc1Cl 1644466951 VEJZCIJXOQRPSQ-INIZCTEOSA-N 450.944 2.201 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCCCN1CC)[C@H]1CCS(=O)(=O)C1 1689983428 BKXBMZPGRWOQCH-OALUTQOASA-N 477.034 2.495 30 10 JEEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(C(F)(F)F)cc1C)[C@H]1CCS(=O)(=O)C1 1689987750 BQNVMWDOLRMLBJ-ZWKOTPCHSA-N 495.527 2.231 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc[nH]3)n2C[C@@H]2CCCN(C(C)=O)C2)n1 1690108977 BHXVFLUSBSGFJC-HXUWFJFHSA-N 464.574 2.014 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)CC1 1690144208 PMNJISBWBHOAJA-OAQYLSRUSA-N 480.588 2.385 30 10 JEEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN2CCCC[C@@H]2C1 1690159422 AFCQVXPQSNPQJK-HXUWFJFHSA-N 488.683 2.236 30 10 JEEE C=CCC(C)(C)Cn1c(N2CCN(C(=O)[C@H]3CCCO3)CC2)nnc1[C@]1(OCC)CCOC1 1690439764 OQCOUCQVCXWXHM-DVECYGJZSA-N 461.607 2.360 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCC(=O)N1 1690553670 CJWNTDZWRNPBCI-GOSISDBHSA-N 461.526 2.405 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1ccoc1 1690723807 BLIPDZUOAXSPNF-SFHVURJKSA-N 495.602 2.417 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2ccc(C)cc2)CC1 1690730186 ZMCNCSJJKOPCQB-UHFFFAOYSA-N 483.642 2.376 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)Sc1ccccc1 1691003060 BLVIHNQZODZJMN-ZIFCJYIRSA-N 478.644 2.388 30 10 JEEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCNS(C)(=O)=O)C[C@H](c2ccsc2)O1 1693782189 CJQLVXKMBRNDMY-DNVCBOLYSA-N 472.596 2.394 30 10 JEEE CC[C@@H]1CCC[C@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1694841144 HEBUHEZAUDICBC-CEXWTWQISA-N 450.609 2.177 30 10 JEEE CN(C[C@@H]1CCOC1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCCS1(=O)=O 1696765310 AFTWQHBGSPWCAT-ICSRJNTNSA-N 459.572 2.169 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1c(C)nn(C)c1C 1705495140 LGHPAXRZPOPIFI-BEFAXECRSA-N 457.579 2.443 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CCC1=CCCCC1)[C@H]1CCS(=O)(=O)C1 1705560512 HSKVIOBRPPRRHM-REWPJTCUSA-N 462.616 2.447 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1csc([C@@H](C)OC)n1)[C@@H]1CCS(=O)(=O)C1 1705562136 YQSRIHHKWCNYJS-GDBMZVCRSA-N 451.618 2.415 30 10 JEEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1Cc1nnc(C)s1)[C@H]1CCS(=O)(=O)C1 1705568429 NMAUDDBEVNDYMF-INIZCTEOSA-N 493.014 2.345 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOc1cccc(C(F)(F)F)n1 1705598290 GDLMQLHNJKYBAT-INIZCTEOSA-N 481.500 2.136 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc(Cl)cc3F)n2Cc2ncn(C)n2)n1 1705631689 MWQIFTXPHSXTAC-UHFFFAOYSA-N 483.939 2.397 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CCCN2CCCO[C@@H](C)C2)CC1 1705646907 STXTXSVNYRDPHW-FQEVSTJZSA-N 468.602 2.313 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(CC)cc3)n2CC2(S(C)(=O)=O)CC2)CC1 1705647052 YLYRCXDLYISUOH-UHFFFAOYSA-N 469.611 2.051 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCCOc2ccc(C)cc2)CC1 1705651104 JTISFTPVHDJEDQ-UHFFFAOYSA-N 478.597 2.144 30 10 JEEE C=C(Cl)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(C(=O)NCCOC)CC1 1705752899 KHUJQFOKVHOEGR-UHFFFAOYSA-N 471.949 2.325 30 10 JEEE C=C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1705764984 USAYUFUXEHEBPJ-GOSISDBHSA-N 493.655 2.177 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cn2nc(C)cc2C)n1C[C@@]1(O)CCN(C)C1 1705860304 GJJNDNXDCYYKPS-RUZDIDTESA-N 460.586 2.271 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Br)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1705932851 LVHZEKAXNCVIHT-FQEVSTJZSA-N 494.415 2.167 30 10 JEEE CCO[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2Cc2cccc(N3CCOCC3)c2)CCOC1 1710422690 AODDJCSFVYKBNB-NTKDMRAZSA-N 454.575 2.411 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1nc(C(F)(F)F)cs1 1722278053 PHOXNRMKRCRGSQ-QWRGUYRKSA-N 450.512 2.064 30 10 JEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C(F)(F)F)C1 1722317680 VXESLLYTUYWRME-JKSUJKDBSA-N 463.526 2.193 30 10 JEEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1CC1(OCCOC)CCOCC1 1722344267 VGADRMCSINUYQT-UHFFFAOYSA-N 466.380 2.328 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@]1(O)CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1722365158 LACGJFHWOPCXGH-NHCICSSKSA-N 456.612 2.355 30 10 JEEE C#CCN(c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H](CCC)OC)[C@@H]1CCS(=O)(=O)C1 1722368934 UNXPABRBDNMJPD-SJORKVTESA-N 484.582 2.036 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H](C)N(C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1722369245 WSYNJJOHDZGQOC-MZYLBHOOSA-N 485.654 2.319 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCCOCC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1722369330 XVJRUBBYIDFWEX-NRFANRHFSA-N 487.626 2.109 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H](C)N1CCN(CC)CC1 1722375383 NQVJUQXRWQTRKL-HXUWFJFHSA-N 450.587 2.061 30 10 JEEE C#CCSCCn1c(N2CCN(C(=O)N(CC)CC)CC2)nnc1[C@]1(OC(C)C)CCOC1 1722463571 GPVUDJXHVRDTOF-QHCPKHFHSA-N 478.663 2.269 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2OC)n1CCS(=O)(=O)NC(C)C 1722498344 WVPLUCKKRMXLJU-JOCHJYFZSA-N 461.588 2.186 30 10 JEEE C=C(C)COCCn1c(N2CCO[C@@H](c3cnn(C)c3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1722538650 SFHOZUVRPSFYDS-NFBKMPQASA-N 460.579 2.223 30 10 JEEE C=CCCOCCn1c(-c2cccc(OC)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1722623385 DHWMMXVZIHRTEX-LJQANCHMSA-N 454.531 2.019 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CCC[C@@H](NC(C)=O)C1 1722693502 QAEQEQIHKBKGOX-OAHLLOKOSA-N 491.390 2.123 30 10 JEEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(=O)OCC(C)C)CC1 1722699967 RHFRDOFVJAJSNR-UHFFFAOYSA-N 476.528 2.364 30 10 JEEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N(C)Cc1cc(Cl)ccn1 1722702070 KAXFIQAGMGEKGN-UHFFFAOYSA-N 459.963 2.257 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC(C)(C#N)CC1 1722728236 SWXSEDDNOLIRNH-UHFFFAOYSA-N 495.609 2.406 30 10 JEEE Cc1ccc(Cn2c(COc3ccc(C#N)cc3)nnc2N(CCS(C)(=O)=O)C2CC2)cn1 1724366622 AFPUYTRRINDDQZ-UHFFFAOYSA-N 466.567 2.494 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CC3)n2CCN2CCOCC2(C)C)c1 1740564472 OGVXMJLRSZAPLO-UHFFFAOYSA-N 450.587 2.398 30 10 JEEE C#CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1740566279 FRLPAJVJMBPGPQ-NRFANRHFSA-N 499.015 2.493 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@H](OC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1740619811 LKGLKDVHEFFLBK-SJORKVTESA-N 451.980 2.291 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1CC1(O)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1740620093 NFOFLFDNDPEIMX-LJQANCHMSA-N 488.610 2.284 30 10 JEEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1740625919 UBDFTAQSMWABHW-UXHICEINSA-N 458.584 2.280 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1ccc(COC)cc1)[C@H]1CCS(=O)(=O)C1 1740627668 RTMIIYVNAZPRJI-SFTDATJTSA-N 458.584 2.341 30 10 JEEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCN1CCN(CC)CC1 1740663941 WULYJNZIRJCIGA-UHFFFAOYSA-N 486.690 2.034 30 10 JEEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCS(=O)(=O)C(C)(C)C)CC1 1740699839 VXWLSDVBPKOXFN-UHFFFAOYSA-N 473.643 2.442 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CCCN2CCCCC2)CC1 1740706747 BIZRRGGMLOPLSK-UHFFFAOYSA-N 469.659 2.476 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCc2cn[nH]c2)CC1 1740707875 UBBLVFVRCKSEDC-UHFFFAOYSA-N 461.570 2.406 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(OC)cc2)n1C[C@@H]1CC(=O)N(CCOC)C1 1740734568 IYUZNJGZJOLNCI-KBMIEXCESA-N 467.570 2.353 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCCSC2)CC1 1740840390 XUJYYJKHHQYLJI-ROUUACIJSA-N 455.650 2.157 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)ccc2C)nnc1N1CCN(c2cccnn2)CC1 1740995005 ZYIBVRHGBDTNMM-UHFFFAOYSA-N 497.625 2.191 30 10 JEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1741002376 HYPLNVFDNHPDOO-BBWFWOEESA-N 485.676 2.449 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)c1ccc(OC)c(OC)c1 1748639311 FNSSHKJNOSOCBQ-HOTGVXAUSA-N 463.604 2.341 30 10 JEEE C#CCN(C)c1nnc(COc2ccc(Br)cc2)n1C[C@@H]1CCS(=O)(=O)C1 1748800424 WVPVTTNRBPAAFA-AWEZNQCLSA-N 453.362 2.124 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1CCCSC)[C@H]1CCS(=O)(=O)C1 1748808169 AOBRZIISVFQSCQ-KRWDZBQOSA-N 462.597 2.096 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1C[C@@H](C)N1CCN(CC)CC1)[C@H]1CCS(=O)(=O)C1 1748809249 QUFYAAPYCNRGRZ-QPPBQGQZSA-N 498.697 2.160 30 10 JEEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1748821002 LEUCVHALCDSEHD-GOSISDBHSA-N 487.582 2.084 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCN(CCC)C1)[C@H]1CCS(=O)(=O)C1 1748821105 LSOWQCQABXPBEP-VXKWHMMOSA-N 496.637 2.087 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCS(=O)(=O)N(C)C 1748828900 PLZGCGCWENMZNJ-UHFFFAOYSA-N 464.595 2.317 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC1CCC(OC)CC1 1749067827 YBPZNXBQVNPUJS-MPDZVGHASA-N 479.647 2.198 30 10 JEEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1749403000 UMMSEZXECMKGRO-INIZCTEOSA-N 477.553 2.431 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(CC(C)C)C(=O)C1 1749655344 IPGCEWCBESAXFW-UHFFFAOYSA-N 462.501 2.153 30 10 JEEE CC(=O)NCCN(Cc1ccsc1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCS(=O)(=O)C1 1750054879 CYCZZMJUNUZWQL-FQEVSTJZSA-N 498.634 2.456 30 10 JEEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1760144145 FJURGULZRDLBCF-UHFFFAOYSA-N 493.033 2.135 30 10 JEEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCN1CCN(CC)CC1 1760179576 UTPYZQMYKFLYNF-BGYRXZFFSA-N 459.639 2.146 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1c(F)cccc1Cl)[C@@H]1CCS(=O)(=O)C1 1760187967 MITNNCPVPDCUPZ-LSDHHAIUSA-N 452.939 2.250 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CCCCC3)n1CCC[C@@H]1NC(=O)NC1=O 1760245170 UEGMFTLICYBLRB-KRWDZBQOSA-N 470.599 2.350 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1760248740 DETPOODDJJQAHH-WOJBJXKFSA-N 495.502 2.140 30 10 JEEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1760278133 ZBDHLHQHRUZKLK-JOCHJYFZSA-N 476.624 2.344 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(Cn2cc(C)cn2)CC1 1760316170 NJIYSMLTTIHHAH-JBACZVJFSA-N 491.662 2.291 30 10 JEEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1760346418 YESCTDRYPUYSNA-KSZLIROESA-N 460.579 2.220 30 10 JEEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1760524889 MJUCBMBWLRWQRF-OAHLLOKOSA-N 486.527 2.024 30 10 JEEE C=CCNC(=O)Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CC(=O)N(C)[C@H](C)C1 1760526535 BJAGKJFSMKDOKA-QGZVFWFLSA-N 474.993 2.221 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1760557515 NWTRZXUWNNEIEF-UHFFFAOYSA-N 477.635 2.015 30 10 JEEE C=CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1760566808 FFUUZBWEEOPWDL-GOSISDBHSA-N 470.578 2.459 30 10 JEEE CCn1cccc(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@H](C)CS(=O)(=O)CC)c1=O 1765337404 GHSBSBKSBGCJGW-QGZVFWFLSA-N 468.583 2.306 30 10 JEEE CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1CCNC(=O)c1ccco1 1768213850 FLNHXUIBDNJZKV-MRXNPFEDSA-N 470.555 2.099 30 10 JEEE CNC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCC[C@H]2C)C1 1769215325 BORNFFUVKUDYOY-ROMRWMGNSA-N 452.559 2.242 30 10 JEEE CCS(=O)(=O)N1CC(CC#N)(n2cc(-c3ncnc4c3ccn4[C@H](C)C(C)(C)C(=O)O)cn2)C1 1857522727 FKVCXFAKSRHKAL-OAHLLOKOSA-N 485.570 2.241 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)CSc2nc(C)c(CCC(=O)OC)c(O)n2)nc1C 1859435180 BXIFYAPRHBKOMS-UHFFFAOYSA-N 466.541 2.435 30 10 JEEE COc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(CCN3CCOCC3)C2=O)c(OC)c1 1863417641 NUGAPOYPXHQICN-UHFFFAOYSA-N 462.506 2.100 30 10 JEEE COc1ccc(S(=O)(=O)Nc2c(C#N)nnn2-c2cc(NC(C)=O)ccc2C)c(OC)c1 1870098416 CRYBHGYURMSVIG-UHFFFAOYSA-N 456.484 2.224 30 10 JEEE COc1cccc(Cn2nnc(C#N)c2NC(=O)CN2C(=O)COc3ccc(Cl)cc32)c1 1870112828 ZHJQHEGIJXMBLA-UHFFFAOYSA-N 452.858 2.224 30 10 JEEE CCOCCOC(=O)COc1cn(CCO)c(CSc2nc(C)c(C)c(C)c2C#N)cc1=O 1870186433 HXGPGHZUPFBBSJ-UHFFFAOYSA-N 475.567 2.283 30 10 JEEE N#Cc1c(NC(=O)COc2cn(C[C@@H]3CCCO3)c(CN3CCOCC3)cc2=O)sc2c1CCC2 1870323895 LVPKILISGUPXES-SFHVURJKSA-N 498.605 2.299 30 10 JEEE CCCCCCCCN=c1nc(N2CCN(CCO)CC2)[nH]c(=Nc2cccc(NC(C)=O)c2)[nH]1 1871533757 PFIKXWHKSAOOAF-UHFFFAOYSA-N 484.649 2.304 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)COc2nonc2C(=O)NCc2ccc(F)cc2)nc1C 1872706806 PIEBEADJSSBIBD-UHFFFAOYSA-N 475.458 2.264 30 10 JEEE N#Cc1ccnc(OC[C@H]2CCCN(C(=O)C[C@H]3CSc4nc5c(c(=O)n43)CCC5)C2)c1 1891290557 ANPDMJIAWUEKOA-IRXDYDNUSA-N 451.552 2.353 30 10 JEEE CCN=c1ccnc(N2CCN(C(=O)C3CCN(c4oc(-c5cccs5)nc4C#N)CC3)CC2)[nH]1 1891509312 HVPFKKMJYDTWSC-UHFFFAOYSA-N 492.609 2.484 30 10 JEEE N#Cc1ccnc(O[C@@H]2CCN(C(=O)[C@H]3CCCCN3S(=O)(=O)c3cccc([N+](=O)[O-])c3)C2)c1 1891674429 MNLHRILEPMFOBB-UYAOXDASSA-N 485.522 2.085 30 10 JEEE CN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1)[C@H]1CC[C@@H]1NC(=O)OCc1ccccc1 2247826167 PFSQOKVIRWWNSY-WMZOPIPTSA-N 454.336 2.238 30 10 JEEE C[C@@H](CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1F)NC(=O)OC(C)(C)C 2255743725 HFMWGRDZGUKCKF-ZDUSSCGKSA-N 458.361 2.316 30 10 JEEE CC1(C)OB(c2ccc(CS(=O)(=O)NC3CN(C(=O)OCc4ccccc4)C3)cc2)OC1(C)C 2255796140 MAFALSNTDARVLC-UHFFFAOYSA-N 486.399 2.426 30 10 JEEE CN(C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1)[C@H]1CC[C@@H]1NC(=O)OCc1ccccc1 2255832300 KCBPYEKPTMRIIB-OALUTQOASA-N 468.363 2.249 30 10 JEEE CN(CCN(C)S(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)OC(C)(C)C 2255950530 PGBZFEKGVUOTIH-UHFFFAOYSA-N 454.398 2.473 30 10 JEEE C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc(B2OC(C)(C)C(C)(C)O2)ccc1Cl 2256620691 LJRLXJFKDSLHII-FZMZJTMJSA-N 455.748 2.247 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1CCC[C@@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2256623178 BNZCGKIQIVDQIY-OLZOCXBDSA-N 452.386 2.139 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C(C)(C)C1 2256628151 FGJGOHCJIUKSHD-GFCCVEGCSA-N 452.386 2.091 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)Nc1nc(B2OC(C)(C)C(C)(C)O2)ccc1Cl 2256678170 BEQXJTOKYZKSDH-ZDUSSCGKSA-N 455.748 2.248 30 10 JEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1C[C@@H](O)C[C@H](NC(=O)OC(C)(C)C)C1 2267127887 LZJBZRLWWXQATD-GJZGRUSLSA-N 466.409 2.456 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H]3C[C@H]2[C@H]3NC(=O)OCc2ccccc2)n1 2267149144 IQWPCCIVKAWVQL-HOJAQTOUSA-N 480.374 2.342 30 10 JEEE CC1(C)OB(c2csnc2C(=O)N2C[C@H]3OCCN(Cc4ccccc4)[C@@H]3C2)OC1(C)C 2267488881 VKKPCMVOTHFUJF-RTBURBONSA-N 455.389 2.168 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)CCCO1 2267546101 RJGBDUODGYKZCD-CQSZACIVSA-N 467.397 2.198 30 10 JEEE C[C@H]1C[C@H](NC(=O)C(F)(F)F)CCN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2267722058 TUFZSTVEFNHXJX-WCQYABFASA-N 482.355 2.267 30 10 JEEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)Nc1ccc(F)c(F)c1B1OC(C)(C)C(C)(C)O1 2268653866 SEYSHOAEKSOJOJ-BDJLRTHQSA-N 456.295 2.477 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@](Oc2nccc(B3OC(C)(C)C(C)(C)O3)c2F)(C(N)=O)C1 2280703776 AUTHFEZTMHCPSI-JOCHJYFZSA-N 465.331 2.154 30 10 JEEE Cc1c(C(=O)NC2(C3CN(C(=O)OC(C)(C)C)C3)CC2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281801924 HQFJBAQTFCMJCG-UHFFFAOYSA-N 460.384 2.157 30 10 JEEE Cc1c(C(=O)N2C[C@H](NC(=O)OC(C)(C)C)C3(CC3)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281807696 RMGAUBCCNNRDIP-HNNXBMFYSA-N 460.384 2.157 30 10 JEEE COc1ccc(C(=O)NCC2(NC(=O)OC(C)(C)C)COC2)cc1B1OC(C)(C)C(C)(C)O1 2281821664 OWHBZPNFJHFOGU-UHFFFAOYSA-N 462.352 2.018 30 10 JEEE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1N(C)C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2281827622 YEFOAEGFTFCFBP-RDJZCZTQSA-N 462.400 2.437 30 10 JEEE Cn1nc(C(=O)NC[C@]2(C)CCCN(C(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2281971870 LFKHXHPKDDYJMK-QHCPKHFHSA-N 462.400 2.486 30 10 JEEE Cc1nn(C)c(C(=O)N[C@@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2281990199 JXYHJODFXJXJAR-JKSUJKDBSA-N 462.400 2.451 30 10 JEEE Cn1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC(F)(F)C2)nc1B1OC(C)(C)C(C)(C)O1 2282035492 WHKSDDWAPKZFBH-UHFFFAOYSA-N 470.326 2.048 30 10 JEEE Cc1cc(S(=O)(=O)Nc2n[nH]c(CNC(=O)OC(C)(C)C)n2)sc1B1OC(C)(C)C(C)(C)O1 2282302497 WVERVMCFEFNMNP-UHFFFAOYSA-N 499.424 2.299 30 10 JEEE COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)N[C@H]1COC[C@H]1NC(=O)OC(C)(C)C 2282527528 DQCJSHHKXXUQOR-DLBZAZTESA-N 462.352 2.016 30 10 JEEE Cn1cc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]3CC[C@@H]32)nc1B1OC(C)(C)C(C)(C)O1 2282552656 LRUMVIUDQUUIMT-INMHGKMJSA-N 460.384 2.237 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1SC 2282609355 HEBPZVOUYBCLLW-HZPDHXFCSA-N 480.440 2.283 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2CN(C(=O)c3ncc(B4OC(C)(C)C(C)(C)O4)cn3)C[C@@H]21 2282625167 RPIVKWNEGJLDOS-BHYGNILZSA-N 458.368 2.151 30 10 JEEE 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)c1 2282699615 KETNIVCJAZTJHJ-RBUKOAKNSA-N 460.380 2.394 30 10 JEEE C[C@@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)NCCc1c(F)cccc1B1OC(C)(C)C(C)(C)O1 2289652910 AICNQIRBVIJPRQ-KDOFPFPSSA-N 466.359 2.058 30 10 JEEE COc1cc(C=Nn2c(SCCO)nnc2[C@H]2CC(=O)N(C(C)C)C2)cc(Cl)c1O 2329054659 SIZYXTFDGDJBRQ-ZDUSSCGKSA-N 453.952 2.337 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@H]2NS(=O)(=O)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2359277225 VWRJAUYYNXRGMI-WDSOQIARSA-N 478.420 2.413 30 10 JEEE CON(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C)C1CCN(C(=O)OC(C)(C)C)CC1 2362355361 IIHYECAOGOFBSB-UHFFFAOYSA-N 464.372 2.122 30 10 JEEE Cn1cnc(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 2362454489 ZWKGFWYNVSYLRI-ZJIFWQFVSA-N 460.384 2.141 30 10 JEEE N#C[C@H]1C(=O)N=C2NC(NCc3ccc4c(c3)OCCCO4)=NC(O)=C2[C@H]1c1ccc(O)cc1 72461239 NVYXZQQSDHSXJI-APWZRJJASA-N 459.462 2.234 30 10 JEEE Cc1ccc(C)c(N2CCN(C(=O)C(/C=C3\C(=O)ONN3C)=NC(=O)c3ccccc3)CC2)c1 585673866 VSIDZFHQFBRENR-VTYOMNSCSA-N 461.522 2.026 30 10 JEEE CCc1ccc([C@H](CNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)N(C)C)cc1 616172797 STBDWSQEWBKTON-QFIPXVFZSA-N 469.611 2.439 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CC1([S@@](C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1286388803 VOJASMDPWIJLRG-CQGGRAHPSA-N 467.016 2.136 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CC[C@@](C)(CC)O1)[C@H]1CCS(=O)(=O)C1 1286392068 HQQFZTFAQOEPPQ-MDPIYQRISA-N 450.605 2.147 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CCN1CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1286392721 BWEPBPCVBRNAKI-IRLDBZIGSA-N 496.637 2.087 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@@H]2CCOC[C@@H]2OC)CC1 1286475198 ZBEYLXNENNBYIV-REWPJTCUSA-N 469.586 2.159 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2C[C@H](C)O[C@H](C)C2)CC1 1286492582 MVMJDACANKOSNN-WKCHPHFGSA-N 467.618 2.309 30 10 JEEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1286506902 PMMGSTPHBYZQRS-CTNGQTDRSA-N 474.675 2.455 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCCN(C(C)=O)C1 1286517402 GSMLVJQIFMQMDO-CJFMBICVSA-N 498.653 2.446 30 10 JEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 1286791085 SXATXBQFIYSNDH-GOSISDBHSA-N 485.614 2.043 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](C)[C@@H](OC)C1 1286815268 QEQYSLZQEYRYAC-BBRMVZONSA-N 472.409 2.498 30 10 JEEE C=CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(CC(N)=O)CC1 1286830068 IXEXQMWYDHKZCD-UHFFFAOYSA-N 467.599 2.203 30 10 JEEE C[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCC#N)CC1CC1)c1nccs1 1288651071 DNIKHFYBLZHEEJ-WBVHZDCISA-N 479.632 2.001 30 10 JEEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC1(SC)CCN(C)CC1 1293113329 FKHLOPUVGSDLJK-QGZVFWFLSA-N 455.636 2.045 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(CN2CCC(O)CC2)cc1 1300330413 YFCLHBLNUGNLFL-UCFCWBNQSA-N 467.614 2.465 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCc1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1300483331 KRDWQGKTFQDNJR-IBGZPJMESA-N 469.567 2.428 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@@H]1CCC[C@H]1OC)[C@H]1CCS(=O)(=O)C1 1300498997 ONHREMURVVAGJN-JAXLGGSGSA-N 472.611 2.319 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@](C)(O)CCC)[C@@H]1CCS(=O)(=O)C1 1300505319 ZMGHGTDPYQBRKH-ZQAYVECASA-N 466.648 2.375 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CC(C)(C)N2C[C@@H](C)C[C@@H](C)C2)CC1 1300729083 MIPPHVRHRJIBEA-OYRHEFFESA-N 497.688 2.123 30 10 JEEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1Cc1ccccc1 1300764639 ZIUVTYHZBCCXAC-LEWJYISDSA-N 489.667 2.189 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1Cc2cccc(Br)c2C1 1300952462 WJNLGWPXBLIOSV-KRWDZBQOSA-N 482.404 2.470 30 10 JEEE C=C(Cl)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CCCOCC(F)(F)F)CC1 1301037874 ZNSWIWJLYYRYFK-CQSZACIVSA-N 450.893 2.073 30 10 JEEE C=CCCOCCn1c(-c2cccc(C)n2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1301249725 XVWYPRDJUQYPRJ-WMZHIEFXSA-N 467.618 2.230 30 10 JEEE COCC[C@](C)(O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1301433166 CIYDHEAWGNBQGP-CPJSRVTESA-N 491.552 2.162 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(OC)c(OC)c2OC)C1 1301558415 VMNIQPZCJQVWQT-MSOLQXFVSA-N 492.598 2.036 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCn2cc(Br)cn2)C1 1301566686 AQPSIKBRZLSCFC-SZMVWBNQSA-N 481.395 2.443 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1301575378 FRWYTPJMGJOHAO-QGZVFWFLSA-N 486.598 2.291 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1301579596 XKQIFZFSICLGKG-DLBZAZTESA-N 491.618 2.075 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCCn1cc(Br)cn1 1303848405 HUMBIMCGJIEXQR-KBXCAEBGSA-N 499.439 2.068 30 10 JEEE CC[C@H](C)N(C)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2C#N)CC1 1305613701 HGNGMZOCSFAPMJ-AZUAARDMSA-N 450.591 2.158 30 10 JEEE CO[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@H]2C1)C(C)(C)C 1315226725 DXBHTKZRUASZAM-MJGOQNOKSA-N 454.531 2.431 30 10 JEEE C#CCCCCn1c(-c2cnccn2)nnc1N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 1358910110 DGFYBGCTMKHAOE-UHFFFAOYSA-N 462.533 2.438 30 10 JEEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](CNC(C)=O)C1 1358936694 UWENJWVOTOIAQU-MOPGFXCFSA-N 460.579 2.105 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cccc(C(N)=O)c1 1358994903 YRCUZBYMVALXRH-NRFANRHFSA-N 492.580 2.197 30 10 JEEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CCCn2cc(Br)cn2)CC1 1359037564 OFBBXVCVCZZPIJ-UHFFFAOYSA-N 469.391 2.068 30 10 JEEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(c2cc(OC)cc(OC)c2)CC1 1359121776 IAZXGDCYGRRQLW-SFHVURJKSA-N 475.615 2.490 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CCC2(CC1)COC(=O)N2 1359297546 UFUIUWUYYAQDED-UHFFFAOYSA-N 475.347 2.089 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N(C)C[C@@H](c1cccs1)N1CCOCC1 1359300328 ZGFCIZGIRQYAEY-RBUKOAKNSA-N 474.631 2.393 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@@H]1CSC 1359333615 DHPARQRQQONGAL-GOSISDBHSA-N 460.629 2.449 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(Cn2cncn2)CC1 1359336683 YRCMJAAQSPKQLB-WOJBJXKFSA-N 491.662 2.306 30 10 JEEE C=C[C@](C)(O)CC(=O)NCCN1C(=O)S/C(=C/c2cc(OC)c(OC)c(OC)c2)C1=O 1463948804 XCWGBPDVACIWOX-HZBHDWBUSA-N 450.513 2.192 30 10 JEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@@]3(CO)C[C@H]3c3ccccc3)CC2)cc1 1468573127 CHBXDLJDQBRVQR-LADGPHEKSA-N 453.564 2.241 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCCN1C[C@@H](C)C[C@H](C)C1 1493265089 HDAVMSZNIQWODB-SFTDATJTSA-N 493.660 2.378 30 10 JEEE CCC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCOCC2)CCO1 1500283337 GOJSLRRXDRQFQE-QFIPXVFZSA-N 454.575 2.456 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H](C(C)C)N1CCOCC1 1507522981 ZTBMHLJANJBWGD-GHTZIAJQSA-N 459.616 2.163 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2C[C@@]2(C)COCCO2)c1 1507550314 IYPSWQUQKBXGCQ-CYFREDJKSA-N 453.543 2.034 30 10 JEEE C#CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@@H](OCCOC)C1 1507578976 HTFVJMOXIOLGJZ-GOSISDBHSA-N 460.604 2.202 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@@H](C)OC)[C@H]1CCS(=O)(=O)C1 1507627199 IZLNTRNFPRCMSI-MJGOQNOKSA-N 476.599 2.403 30 10 JEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1C[C@H](C)CN1CCOCC1)[C@H]1CCS(=O)(=O)C1 1507627932 UNLSBCUCRBPLFG-NQIIRXRSSA-N 492.045 2.194 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)nc2)n1Cc1cccc(S(=O)(=O)NC)c1 1507665605 YZHINIJXJZWKSM-UHFFFAOYSA-N 468.970 2.413 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1C[C@H]1CCOC[C@H]1OC 1507702270 HRAIUXMMWQLJQY-TZIWHRDSSA-N 455.534 2.231 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1C[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 1507710229 DFCMIKRZXXESQN-LWYYNNOASA-N 459.591 2.371 30 10 JEEE C#CCSCCn1c(-c2cccc(Cl)c2)nnc1N1CCC(NS(C)(=O)=O)CC1 1507744190 JFYHRUARVXLIIG-UHFFFAOYSA-N 454.021 2.483 30 10 JEEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2cc(C)on2)CC1 1507774328 BIIQGUGOCXLJBZ-UHFFFAOYSA-N 464.368 2.041 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1507783404 CPMYZZUWZHFKLK-IJLUTSLNSA-N 473.315 2.245 30 10 JEEE C=C(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1507825410 WHYPNPLDUQFOHP-SFHVURJKSA-N 471.558 2.375 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)Cc1ncc(Cl)n1C 1508071915 NOICAWMECHQXRM-UHFFFAOYSA-N 491.383 2.187 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@H](CC(N)=O)C1 1508072590 GQDKFFUAQMQZMK-RBUKOAKNSA-N 454.575 2.429 30 10 JEEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@H](C)[C@@H]1CC 1508073025 LQLMWAPTCGLCHR-RDJZCZTQSA-N 459.620 2.474 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@H]1c1nncn1C 1508075515 YGFYOIRURCRXIR-INIZCTEOSA-N 458.473 2.319 30 10 JEEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 1508158428 GUXKWHFYGZINGJ-LJQANCHMSA-N 454.600 2.040 30 10 JEEE Cc1nc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@H](S(C)(=O)=O)C2)sc1C 1510427806 FCUYPFKVCCMSBT-SFHVURJKSA-N 472.596 2.474 30 10 JEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1539132063 BZWIYKUEYZPAQM-CQSZACIVSA-N 468.505 2.188 30 10 JEEE C#CCN(c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC1(O)CC1)[C@H]1CCS(=O)(=O)C1 1539229232 AXSSKHYJFQHPPR-IBGZPJMESA-N 472.611 2.306 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@](C)(O)CCC)[C@H]1CCS(=O)(=O)C1 1539231256 UHKVUYGTLSXJOY-WMZHIEFXSA-N 460.600 2.343 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2N(C)CCCC2(C)C)CC1 1539434138 AFRAPZIXEZJIDT-QFIPXVFZSA-N 484.670 2.224 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@]2(C)CN(C)C2=O)CC1 1539474126 KFOYDOFMCDOTRO-QHCPKHFHSA-N 472.952 2.182 30 10 JEEE C#CCSCCn1c(N2CCC(C(=O)N(C)C(C)C)CC2)nnc1[C@]1(OCC)CCOC1 1539530044 AFXZSOYCLHVTGZ-QHCPKHFHSA-N 463.648 2.380 30 10 JEEE C=C(C)Cn1c(N2CCc3nn(C)c(=O)cc3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1539733646 ITPSMBUNUQYQLM-WOVMCDHWSA-N 455.563 2.281 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCCN(C(=O)c2ccccc2)CC1 1540900744 GIHSTLKVEPSNDM-UHFFFAOYSA-N 480.594 2.293 30 10 JEEE CC(C)(C)[S@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](Cn2cccn2)C1 1541233052 BTCLKGQRURMMJI-NLINSNCNSA-N 467.599 2.466 30 10 JEEE N#C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)c2cn(-c3cccnc3)nn2)CC1 1543136921 DWTTXVGUZRPDAB-LJQANCHMSA-N 452.316 2.447 30 10 JEEE CNC(=O)[C@H]1CN(C(=O)c2ccncn2)CC12CCN(c1ccc(C#N)c(C(F)(F)F)c1)CC2 1548375362 KCFTUAMBVLEXDO-GOSISDBHSA-N 472.471 2.472 30 10 JEEE COCCNC(=O)[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CC12CCN(C(=O)COC)CC2 1548379209 ISGYTKPNZMWASF-IBGZPJMESA-N 482.503 2.031 30 10 JEEE Cn1cncc1C(=O)N1C[C@@H](C(N)=O)[C@H](C2CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)C1 1548386056 DPQYEKHULSOQQY-ZWKOTPCHSA-N 474.487 2.401 30 10 JEEE CCn1cc(S(=O)(=O)N2CCN(c3ccc(C#N)c(C(F)(F)F)c3)C[C@H]2COC)cn1 1548401465 NDYFQEDDSURSBX-INIZCTEOSA-N 457.478 2.319 30 10 JEEE CN(Cc1ncc(Cl)n1C)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(C(N)=O)nc1 1554198312 GFVQDDXXTCCLPF-UHFFFAOYSA-N 461.917 2.382 30 10 JEEE C#CCNC(=O)CN1CCCN(C(=O)COc2ccc3ccccc3c2Br)CC1 1585000008 JVUZADDVXAQWTK-UHFFFAOYSA-N 458.356 2.265 30 10 JEEE C#CCCCCn1c(C(C)C)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1587702230 QUFWSMNYROKTGS-KURKYZTESA-N 465.620 2.332 30 10 JEEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1CCN(CC(F)(F)F)CC1 1587945471 KRGVOPAJSSSRHR-UHFFFAOYSA-N 459.480 2.265 30 10 JEEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@]1(N(C)C)CCSC1 1587975236 SWPAFZCWSPKTER-QHCPKHFHSA-N 451.600 2.182 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1nccn1C(F)F)[C@H]1CCS(=O)(=O)C1 1588034440 GBYWDYRYGVMJHI-INIZCTEOSA-N 491.480 2.120 30 10 JEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc(OC)c(OC)c1 1588124780 QXXCAPMQCPSOFH-UHFFFAOYSA-N 478.578 2.377 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCC(=O)N(C)C 1588134214 UGDDQGPIYUVMNR-LJQANCHMSA-N 456.591 2.334 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1cccc(OC)c1)N1CCCC1 1588139161 MRPADJGBTMFQJS-GMAHTHKFSA-N 481.622 2.099 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(OC)nc1OC 1588185523 HRUUGQQDQGBGAG-XMMPIXPASA-N 453.543 2.242 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1c(F)cccc1F)N(C)C 1588228573 HJGSFMCBFVDVSM-FXAWDEMLSA-N 475.565 2.224 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccc(NC(=O)NC(C)C)cc2)CC1 1588752827 WXJQPVKRAYEZCV-SANMLTNESA-N 495.628 2.264 30 10 JEEE C=C(Br)Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1589287641 CGDMPZGVLPTNLO-HXUWFJFHSA-N 469.428 2.406 30 10 JEEE C=C(Br)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)CC(=O)NC(C)(C)C 1589381541 FGRKLEUIANRIGW-UHFFFAOYSA-N 498.451 2.498 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2OC)nnc1N(C)CC(=O)N1CCOCC1 1589516292 ZBZZIUBDGUCMES-AVRDEDQJSA-N 455.559 2.230 30 10 JEEE C=CCC(C)(C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1594522244 ZPHHZEFLXRMDQE-LJQANCHMSA-N 466.586 2.223 30 10 JEEE C=CCN(CCOC)c1nnc(-c2cn(C)c3ccccc23)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1595291130 NRRARBSUGATDJM-GOSISDBHSA-N 472.615 2.357 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1595577286 NTKYGTHPCAJFMV-UHFFFAOYSA-N 479.585 2.395 30 10 JEEE CC(C)OC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N2CCOCC2)CC1 1610972212 BRCRULGMHZJEDE-UHFFFAOYSA-N 482.585 2.371 30 10 JEEE C#CCNC(=O)CN1CCCN(C(=O)c2ccsc2NC(=O)c2ccc(CC)cc2)CC1 1615209463 QOGFGCFEUZRUFH-UHFFFAOYSA-N 452.580 2.460 30 10 JEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC[C@](O)(/C=C/OCC)C(F)(F)F)cc1 1622886458 GOGSJCGMIAVLEO-DPCFLFMUSA-N 451.467 2.458 30 10 JEEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(Oc3ccc(C(C)(C)C)cc3)nc2)CC1 1632960856 NUIVRFCEXBEBSK-UHFFFAOYSA-N 456.568 2.397 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(S(C)(=O)=O)CC1 1689849222 IQWXOWLGLVAJOA-IAGOWNOFSA-N 465.620 2.428 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](CC)Oc1ccccc1F 1689853243 QIRCHIRPVKMJGS-ZWOKBUDYSA-N 479.578 2.066 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1C[C@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1689983866 IFAVGSIPNAWRMW-HOCLYGCPSA-N 453.971 2.314 30 10 JEEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1Cc1cscc1C)[C@H]1CCS(=O)(=O)C1 1689995972 BSLLEFQHJTVYGI-KRWDZBQOSA-N 489.648 2.315 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CCC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1689997245 YSQUBPWXEISTGY-FQEVSTJZSA-N 476.574 2.440 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H](C)N1CCOCC1 1690017718 KBMUMEIAGYLTAC-SFTDATJTSA-N 470.618 2.186 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cn(C)c3ccccc23)n1CCN1CCN(C(C)=O)CC1 1690042754 AYNYYMZKVCMWBU-UHFFFAOYSA-N 457.582 2.064 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1CC1CCS(=O)(=O)CC1 1690092748 UNLHVFPXVYNRQV-UHFFFAOYSA-N 473.574 2.004 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1CC1(S(C)(=O)=O)CCCC1 1690097555 JBEJHZGZXWKZDV-UHFFFAOYSA-N 451.980 2.437 30 10 JEEE C#CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1690171237 XLLDPAAYSHINHI-QGZVFWFLSA-N 465.583 2.265 30 10 JEEE C=CC[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC2(CC1)CNC(=O)C2)c1ccccc1 1690441891 ILLRMFHDVRAMIQ-ICSRJNTNSA-N 486.642 2.355 30 10 JEEE C=CCCOCCn1c(C)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)C2(CCS(=O)(=O)CC2)C1 1690497029 FTEZLNQVIRYDMM-GOSISDBHSA-N 483.635 2.088 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCN1CCN(C(C)=O)CC1 1690525704 OIRQTJHAFRFMJG-HXUWFJFHSA-N 475.638 2.179 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)c1cccc(Cl)c1)C1CC1 1690545249 MHISCEVWQLYDTF-UGKGYDQZSA-N 496.033 2.327 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1690661663 CQKKRTBDMJVHSJ-ZIAGYGMSSA-N 484.420 2.268 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1690675717 CJYZBQDWECLVCK-XLIONFOSSA-N 495.584 2.380 30 10 JEEE C=CCOc1ccc(Cn2c(-c3ccccn3)nnc2N2CCC(NS(C)(=O)=O)CC2)cc1 1690679364 RXLCQCXWPUVHGS-UHFFFAOYSA-N 468.583 2.471 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCO[C@@H](c2cccc(OC)c2)C1 1690722309 DUMOCAFRIVVARG-HXUWFJFHSA-N 457.556 2.461 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1690731395 JWJLBHHMJNPAOA-SFHLNBCPSA-N 493.674 2.389 30 10 JEEE C[C@H]1CN(CCN(C)c2nnc(COc3ccc(C#N)cc3)n2CCN2CCSCC2)C[C@@H](C)O1 1698459360 FBLSHNPLHSKTIE-OYRHEFFESA-N 499.685 2.323 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCc1csc(CC)n1)[C@@H]1CCS(=O)(=O)C1 1705567039 SQWMVFUNJAANCS-MSOLQXFVSA-N 463.629 2.408 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](c1ccc(C)o1)N1CCOCC1 1705589764 WIGQTLCOSLLCPW-NRFANRHFSA-N 487.564 2.363 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc3ccccc3o2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1705623392 QFTJHOBMETVJKN-KRWDZBQOSA-N 457.556 2.059 30 10 JEEE C#CCN(CCOC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@]1(O)CCO[C@@H]1C 1705629064 WKRNJGUEBHETLP-KOSHJBKYSA-N 477.606 2.019 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H]2CCCn3cc(C)nc32)CC1 1705643836 BMICGVNQGMHVFB-HXUWFJFHSA-N 494.644 2.245 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@]2(C)CCCO2)CC1 1705645960 LJPOJYOPIIEWJA-RUZDIDTESA-N 467.570 2.497 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2cn(CCCCC)nc2C)CC1 1705648714 XAWFCGGBDDGIBR-OAQYLSRUSA-N 467.618 2.491 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2CCC(=O)NC(C)(C)C)CC1 1705649074 JINKOYHACJHUMH-UHFFFAOYSA-N 466.586 2.224 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCN(Cc2nc(O)c3ccccc3n2)CC1 1705930924 ZCEAQZRHPNXTJQ-GOSISDBHSA-N 499.641 2.363 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 1705932394 SKCCTKKXLPKDDA-UHFFFAOYSA-N 483.554 2.176 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3noc4c3COCC4)n2CC(C)(C)OC)c1 1722310735 ZTRNAXDXFCMJCI-UHFFFAOYSA-N 464.526 2.487 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1ccc(OCCC)nc1)[C@H]1CCS(=O)(=O)C1 1722368436 RMWXQKQGHARPFZ-PMACEKPBSA-N 473.599 2.031 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@@H](C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 1722370270 BFCCFXHQXAXDPR-GMAHTHKFSA-N 469.655 2.422 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccc(OCC(F)(F)F)c2)CC1 1722429482 MQJXGTZDMZZYGH-UHFFFAOYSA-N 464.492 2.161 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1722483927 SEIBROGMHAIGLA-ARFHVFGLSA-N 456.385 2.058 30 10 JEEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1722607368 UXIZEJQDLOWNJW-LJQANCHMSA-N 472.615 2.363 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc(-c2cccc(C)n2)n1C[C@]1(O)CCS(=O)(=O)C1 1722673576 WQXCWNZCQFPERF-XMMPIXPASA-N 467.595 2.433 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(c2ccc(F)cn2)CC1 1722693669 WSHJBYNDTKBBMI-UHFFFAOYSA-N 481.532 2.125 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCN(c2ccc(C)c(C)c2)CC1 1722728222 SOAMNUOEFCAONZ-UHFFFAOYSA-N 467.599 2.279 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCc3cc(OC)c(C)cc3C2)nnc1[C@]1(OCC)CCOC1 1722731105 DLUSWWVZIKUKAW-DEOSSOPVSA-N 490.626 2.411 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@H]1CC 1722750798 OREVSLOJLWGLKY-SFHVURJKSA-N 481.644 2.175 30 10 JEEE CCS(=O)(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCOC[C@H]2C)CC1 1729216131 GOAUAMXNLRQSJA-YLJYHZDGSA-N 472.615 2.397 30 10 JEEE COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC2(C(=O)N(C)C)CCCC2)cc1OC 1730089825 DDKSVXSJTAOHRV-GOSISDBHSA-N 468.558 2.340 30 10 JEEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(C(N)=O)CCCC2)C[C@H]1C 1730785108 DRWMFSUXJFIGOQ-GOSISDBHSA-N 451.575 2.019 30 10 JEEE CS(=O)(=O)C1(Cn2c(-c3cccc(Br)c3)nnc2N2CCO[C@@H](C#N)C2)CCC1 1730992401 CVCQVZSEEXOZCS-INIZCTEOSA-N 480.388 2.404 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCSCc1ccccc1F)[C@H]1CCS(=O)(=O)C1 1740622121 UVHNFSQPXDCCIP-IBGZPJMESA-N 488.614 2.378 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1C[C@H](C)N(C)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1740627265 OYVPWSRDQHSABP-ZWKOTPCHSA-N 467.636 2.359 30 10 JEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccccc1CN1CCOCC1 1740641929 PQPYRXIDPWDLPU-UHFFFAOYSA-N 488.617 2.223 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CC2=CCN(C(=O)OC(C)(C)C)CC2)CC1 1740696166 NQOLJQBOJPVCCM-FQEVSTJZSA-N 456.591 2.104 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2C[C@H]2CCCOC2)CC1 1740707493 DUHKMGTWMBTEKH-GOSISDBHSA-N 455.534 2.389 30 10 JEEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1ccccc1 1740717696 YWFPHXXISSNUIA-WOJBJXKFSA-N 475.640 2.319 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1740759647 KCXHWODBVVNTSB-DENIHFKCSA-N 453.591 2.278 30 10 JEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1740962794 PDFUCXVJFZKOIA-CYBMUJFWSA-N 457.526 2.009 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H](C)N2CCOCC2)C1 1740974167 JNSFZEJMJNJJNB-AZUAARDMSA-N 457.575 2.464 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccccc1SC 1740985103 BHXACZXZSGMGCW-UHFFFAOYSA-N 463.629 2.473 30 10 JEEE C#CCCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1748748302 WMDOBWXWUXDKOI-UHFFFAOYSA-N 475.553 2.187 30 10 JEEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1CCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1748821649 RZQKGXSAQKICAX-OAQYLSRUSA-N 471.627 2.196 30 10 JEEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCN1CCOC[C@@H]1C 1748847715 WITZAOYHKOROHW-FQEVSTJZSA-N 470.618 2.186 30 10 JEEE C#CCN(CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCC(=O)NC(C)(C)C 1748936390 XNPYAXIRFPPMLF-UHFFFAOYSA-N 465.646 2.407 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2CCCN2C[C@H](C)O[C@H](C)C2)CC1 1749010278 KJINEBPQTBPEHC-OYRHEFFESA-N 494.640 2.419 30 10 JEEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCN(c2nc(CC)ns2)CC1 1749039806 BWVHLVXBRKVDQG-UHFFFAOYSA-N 454.629 2.371 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c(C)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1)C(C)C 1749553772 VTVFTSSOSVJLAH-NHCUHLMSSA-N 450.653 2.289 30 10 JEEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1749667415 ZWVHAMJYWCEAMZ-MRXNPFEDSA-N 492.584 2.027 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCN(C(=O)OC)[C@@H](C)C2)cc1 1749684185 SCSGWMKGRHOUIW-LPHOPBHVSA-N 454.531 2.119 30 10 JEEE C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1)N(C)C1CC1 1751122310 GYYLQVHCXBTTOZ-UYAOXDASSA-N 485.658 2.407 30 10 JEEE Cc1ccc(NC(=O)c2nnc(N(C)[C@H](C)CC#N)n2C[C@@H]2CCN(S(C)(=O)=O)C2)cc1C 1751535227 FDKIVHUHJNYTFD-QZTJIDSGSA-N 473.603 2.167 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(CS(C)(=O)=O)cc1 1760110638 FZZNTGWVUHMDBN-HNNXBMFYSA-N 455.540 2.057 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1CCCS(=O)(=O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1760181952 FQLNRTNWIXZMME-MOPGFXCFSA-N 478.640 2.282 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@H](CC)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1760183746 DIKJIFSHNHYPTN-PMACEKPBSA-N 471.627 2.455 30 10 JEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCCn1ccnc1C 1760200819 ULWLJIWQRIEQSC-UHFFFAOYSA-N 464.599 2.296 30 10 JEEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2C[C@@]2(O)CCN(C)C2)CC1 1760260912 HMNIVPXGSFWBRQ-AREMUKBSSA-N 466.630 2.111 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2Cc2cccnc2OCC(F)(F)F)CC1 1760262739 YFPZVTDDDOFNOB-UHFFFAOYSA-N 471.487 2.404 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CC[C@H](OC)C(F)(F)F)CC1 1760270234 VAMOQXPZCJBNKP-IRXDYDNUSA-N 457.497 2.453 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cnccn2)n1Cc1ccccc1S(=O)(=O)N(C)C 1760292504 BSTAIHOKGPXCNK-JOCHJYFZSA-N 451.556 2.026 30 10 JEEE C=C(Br)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(N2CCCNC2=O)CC1 1760310337 BNXMQYBOJVJXTQ-UHFFFAOYSA-N 477.411 2.432 30 10 JEEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(c2cnccn2)CC1 1760374652 UXJFNRZCMBPGLO-KRWDZBQOSA-N 490.996 2.456 30 10 JEEE C=C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1760392463 QYPBCVFFDOXTCA-LJQANCHMSA-N 456.572 2.167 30 10 JEEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1760414962 JZBUQDXTWQBXFG-SFHVURJKSA-N 463.590 2.380 30 10 JEEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC(C)(C)OC(C)(C)C1 1760523716 GOFNFIDLSIDPJD-UHFFFAOYSA-N 468.606 2.148 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@H]1C(C)C 1760554246 WWBJFJGOPRSMLP-IBGZPJMESA-N 470.599 2.418 30 10 JEEE C[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1)N(C)C 1761422787 HZNQZCIEXQUDFU-WIYYLYMNSA-N 499.616 2.409 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@@H]1CSCCS1 1761465750 FHUNHHNGYKNQMQ-WMLDXEAASA-N 466.658 2.245 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CC1(SC)CC1 1762293168 DOZFWSTVGWVIEF-INIZCTEOSA-N 483.646 2.469 30 10 JEEE CCO[C@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@@H](C)N2CCN(CC)CC2)CCOC1 1767449066 CTNWHXIWCAIZQN-AGILITTLSA-N 459.639 2.086 30 10 JEEE CN(C)C(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(C)(C)CN1CCOCC1 1768444767 FUJJHRVKAJKLNT-UHFFFAOYSA-N 453.591 2.090 30 10 JEEE CCOC(=O)c1ccc(NC(=O)[C@H](CO)NC(=O)C2CCN([C@H](C#N)c3cccs3)CC2)cc1 1866867762 RDLLYVITBPHBPY-VQTJNVASSA-N 484.578 2.317 30 10 JEEE Cc1nc(CNC(=O)OC(C)(C)C)sc1C(=O)N[C@H](CO)C(=O)Nc1ccccc1C#N 1867083883 VCARXQCBLKRREL-OAHLLOKOSA-N 459.528 2.077 30 10 JEEE C=CCN(CC=C)c1nc(NC(=O)COc2ccc(C)cc2C)n([C@H]2CCS(=O)(=O)C2)n1 1870002608 QVBQXMIEQXFXRQ-SFHVURJKSA-N 459.572 2.450 30 10 JEEE N#Cc1nnn(Cc2cc([N+](=O)[O-])cc3c2OCOC3)c1NS(=O)(=O)c1ccc(Cl)cc1 1870097661 QQBNOOCOIUGLOW-UHFFFAOYSA-N 476.858 2.427 30 10 JEEE Cc1ccc(Cl)cc1-n1nnc(C#N)c1NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1870155462 OMBGNKFSVJWLKA-UHFFFAOYSA-N 465.813 2.244 30 10 JEEE C=CCn1c(C(=O)N2CCN(C(=O)OCC)CC2)cc2c(N3C[C@@H](C)O[C@H](C)C3)ncnc21 1873561356 MGKZNLBZHTZIPS-IAGOWNOFSA-N 456.547 2.145 30 10 JEEE CC(C)N1C(=O)CS[C@H](C(=O)N2CCC(C[C@@H]3NC(=O)N(C)C3=O)CC2)[C@@H]1c1ccc(C#N)cc1 1890121948 RVDJMRBEROCIMR-BVSLBCMMSA-N 497.621 2.131 30 10 JEEE COc1ccc([C@H]2[C@@H](C(=O)N3CC(COc4cccnc4C#N)C3)OCC(=O)N2C(C)C)cc1 1891421386 DHWANNDTNLGHMG-ZEQRLZLVSA-N 464.522 2.176 30 10 JEEE C=C(CS(=O)(=O)NCC[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)B1OC(C)(C)C(C)(C)O1 2255794177 IKRLDHKNNAWWGB-MRXNPFEDSA-N 460.402 2.119 30 10 JEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC1(CNC(=O)OC(C)(C)C)COC1 2255826760 RSQBIVDOFQLVQU-UHFFFAOYSA-N 452.382 2.379 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1COCCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2255832242 JKWHYOWGAJLLJN-HNNXBMFYSA-N 452.382 2.413 30 10 JEEE CCCN(CCNC(=O)OC(C)(C)C)C(=O)c1c(C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2267151452 IHUSESMWWSVHEP-UHFFFAOYSA-N 450.389 2.405 30 10 JEEE CN(CCOCCN(C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1)C(=O)OC(C)(C)C 2267156600 MCTCEZFVMBYKQR-UHFFFAOYSA-N 469.413 2.398 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCC[C@H](CNC(=O)OCc3ccccc3)C2)n1 2267185408 UWUOIBAVKUUOPJ-LJQANCHMSA-N 482.390 2.498 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCN(S(=O)(=O)c2ccc(F)cc2B2OC(C)(C)C(C)(C)O2)C1 2267365938 XTUNINDUAZCSFQ-OAHLLOKOSA-N 470.372 2.413 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H]1NS(=O)(=O)c1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2267468712 LYEVWUBWTAEWMK-SUMWQHHRSA-N 470.372 2.316 30 10 JEEE CC(C)(C)OC(=O)NCCCOCCNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2267717013 WJKYHGKAGOPYHF-UHFFFAOYSA-N 490.453 2.257 30 10 JEEE C[C@@H](CN(C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(O)cc1O)NC(=O)OC(C)(C)C 2267805592 LKADNADXUGRIKE-ZDUSSCGKSA-N 450.341 2.382 30 10 JEEE C[C@@H](COCC(=O)N=c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)[nH]1)NC(=O)OC(C)(C)C 2268612836 MGEXEJFQDKEKSL-ZDUSSCGKSA-N 469.775 2.324 30 10 JEEE C[C@@H](NC(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1F)C1(O)CN(C(=O)OC(C)(C)C)C1 2281783942 RIQWLVSSWQZMLH-CQSZACIVSA-N 464.343 2.225 30 10 JEEE CC(C)(C)OC(=O)N(CCO)[C@H]1CCCN(C(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2282021677 OJXKIENDQBYGEZ-HNNXBMFYSA-N 481.424 2.276 30 10 JEEE C[C@@H]1C[C@H](NC(=O)C(F)(F)F)CN(S(=O)(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2282348068 GXLMDPVEQIIVJZ-KGLIPLIRSA-N 476.326 2.063 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@@H](C)CNC(=O)OC(C)(C)C 2282488655 BOAOCDKLEBRGNE-HNNXBMFYSA-N 484.424 2.434 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@]2(C[C@H](NC(=O)c3ncsc3B3OC(C)(C)C(C)(C)O3)CO2)C1 2282515044 MGDRHAXONXBKKH-RCDICMHDSA-N 479.408 2.341 30 10 JEEE Cn1cc(C(=O)N2C[C@@H](NC(=O)OC(C)(C)C)C3(CCC3)C2)nc1B1OC(C)(C)C(C)(C)O1 2282552977 UOMNLBHIRVYVDB-MRXNPFEDSA-N 460.384 2.239 30 10 JEEE C[C@@H]1CN(C(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)C[C@@H](C)C1NC(=O)OC(C)(C)C 2282566508 ZTCIOZKMSLFUHD-HUUCEWRRSA-N 462.400 2.341 30 10 JEEE Cn1cc(C(=O)N2CCC(C)(CNC(=O)OC(C)(C)C)CC2)c(B2OC(C)(C)C(C)(C)O2)n1 2282589717 RCWXASZSSUXCLQ-UHFFFAOYSA-N 462.400 2.486 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2C[C@@H](B3OC(C)(C)C(C)(C)O3)C2)[C@@H]2CS(=O)(=O)C[C@H]21 2282630354 IAFQZFULIWJURN-YYIAUSFCSA-N 484.424 2.104 30 10 JEEE CC(C)(C)OC(=O)N[C@]12C[C@@H]1CN(S(=O)(=O)c1ccc(B3OC(C)(C)C(C)(C)O3)cc1F)C2 2282831787 DWOJSEZBQNZOFI-PEBXRYMYSA-N 482.383 2.413 30 10 JEEE C[C@H]1C[C@H](NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)nn2C)CCN1Cc1ccccc1 2282859206 JJPSTPDPXRCXHX-PKOBYXMFSA-N 474.436 2.051 30 10 JEEE CC1(C)OB(c2ccc(O)c(C(=O)NC[C@]3(O)CCN(Cc4ccccc4)C3)c2)OC1(C)C 2282974936 LIZFPYNVIXGFEG-RUZDIDTESA-N 452.360 2.058 30 10 JEEE C[C@H]1CN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C[C@H]1CCNC(=O)OC(C)(C)C 2283065235 ZNZUMWQBQRCAKW-JKSUJKDBSA-N 460.384 2.399 30 10 JEEE CO[C@]1(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)CCN(C(=O)OC(C)(C)C)C1 2283960343 XARPOYBDXDJTPF-JOCHJYFZSA-N 465.331 2.484 30 10 JEEE C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2cccc(B3OC(C)(C)C(C)(C)O3)c2C1 2283971680 KAWMKTPEGWFIJO-KXBFYZLASA-N 460.380 2.145 30 10 JEEE CC(C)(C)OC(=O)N1CC(=O)NC[C@@H]1C(=O)Nc1ccc(Cl)cc1B1OC(C)(C)C(C)(C)O1 2283985512 JWSFJNSDJNTILT-MRXNPFEDSA-N 479.770 2.313 30 10 JEEE COCCOCC(=O)N1C[C@H](C(N)=O)[C@@H](C2CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)C1 2297649782 COKWJQKFVCOFJB-MOPGFXCFSA-N 482.503 2.016 30 10 JEEE CC(C)(C)OC(=O)N1CC([C@H]2C(=O)NCCN2C(=O)C2CC(B3OC(C)(C)C(C)(C)O3)C2)C1 2379813071 GHZKYJVXZZYHHI-PREGVCBESA-N 463.384 2.053 30 10 JEEE Cc1nn(C(C)C)c(C)c1/C=N/Nc1nc(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)n[nH]1 20905212 KOMYGEFKFOFFTN-ZVBGSRNCSA-N 491.603 2.023 30 10 JEEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN(Cc3ccc(OC)c(OC)c3OC)CC2)cc1 30535776 SRLYGFHGRYZQJE-UHFFFAOYSA-N 489.594 2.135 30 10 JEEE C=CCn1c(=O)c(=O)n(CCC(=O)NCCN2CCN(c3cccc(C)c3C)CC2)c2ccccc21 33272481 PYCJAYZKLGETPV-UHFFFAOYSA-N 489.620 2.295 30 10 JEEE CC(=O)[C@]1(O)CC[C@@H]2[C@H]3CCC4=C/C(=N/OCC(=O)N[C@@H](CO)C(=O)O)CC[C@]4(C)[C@@H]3CC[C@@]21C 504531017 XPPSOAUERBQGOO-QSGTZHDYSA-N 490.597 2.204 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)C[S@](=O)CC(=O)c3ccc(OC)cc3OC)cc21 586363124 XVMPQKGKBJQZSM-YTTGMZPUSA-N 457.504 2.430 30 10 JEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)[C@H](c2ccccc2)N2CCCCC2=O)CC1 609420354 PYMNZHYNFQNBFW-QHCPKHFHSA-N 466.563 2.145 30 10 JEEE CCOc1cc(C=NNc2nnc(SCC(=O)Nc3ccccc3OC)n2N)ccc1O 1083892502 QUQXDOBAOZSMCB-UHFFFAOYSA-N 457.516 2.282 30 10 JEEE COc1ccc(CNC(=O)CSc2n[nH]c(NN=Cc3cccc(OC)c3O)n2)cc1OC 1084029294 VNAWYOIDLROVKP-UHFFFAOYSA-N 472.527 2.391 30 10 JEEE CCOc1ccccc1NC(=O)CSc1nnc(NN=Cc2ccc(C(=O)OC)cc2)n1N 1084557316 BLMYZQJBGNWWOA-UHFFFAOYSA-N 469.527 2.354 30 10 JEEE C=CCS(=O)(=O)CCNC(=O)C1CCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1 1127371705 RYDLOJWTHZNPCX-UHFFFAOYSA-N 456.630 2.102 30 10 JEEE COc1ccc([C@H](NC(=O)Cn2cc(C#N)c(O)nc2=O)c2ccccc2Cl)c(OC)c1 1148232303 FIAAZWZVESOTQU-HXUWFJFHSA-N 454.870 2.397 30 10 JEEE COC(=O)CCOc1ccc(S(=O)(=O)NCc2cn(C)nc2-c2ccc(C#N)cc2)cc1 1189106258 ATIXWIRTUPVHIM-UHFFFAOYSA-N 454.508 2.379 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2Cc2cnn(C)c2)CC1 1286474667 OQINAIKSRHDCOT-UHFFFAOYSA-N 470.375 2.253 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1286558878 RRSONCRXOZOQCR-AUSIDOKSSA-N 488.658 2.495 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCCCC2)CC1 1286609141 XNZPQBXBXJXGDW-IBGZPJMESA-N 451.637 2.228 30 10 JEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 1286612323 YGPBGTCQQKNIKI-UHFFFAOYSA-N 472.565 2.468 30 10 JEEE C=CCCOCCn1c(-c2ccccc2F)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1286708799 HAXHKPYTMFLRLH-MRXNPFEDSA-N 454.510 2.209 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H]1CCCO[C@H]1c1ccccc1 1286787893 LIXUMXABRNYGEG-SJBKTWHCSA-N 487.626 2.087 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)N2CCCC2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1286797410 WXSMYOVSUZKEEH-LJQANCHMSA-N 473.599 2.141 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2Cc2cc(C)on2)C1 1286805658 TVGAIDNKKSVKOL-LJQANCHMSA-N 472.571 2.321 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1286816655 KNHZBQMFKQXUKK-LSDHHAIUSA-N 475.036 2.457 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1286817721 WZZNHFQNGPUFSS-UHFFFAOYSA-N 475.615 2.249 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC2(CC1)CNC(=O)C2 1286818561 YENGFMQPVDPYEH-KRWDZBQOSA-N 491.589 2.265 30 10 JEEE C[C@]1(C#N)CCCN(c2nnc(CN3CCCC3=O)n2CCNC(=O)Cc2cccc(F)c2)C1 1288981566 DYKPRRSQXYYLQM-XMMPIXPASA-N 467.549 2.029 30 10 JEEE CNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCCC2(C)C)CC1 1299287929 HMWXFYJPVWTBKM-DEOSSOPVSA-N 467.574 2.131 30 10 JEEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1300380994 LIARCCHSLWEDEC-GOSISDBHSA-N 493.033 2.041 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1CCNC(=O)c1ccccc1F)[C@H]1CCS(=O)(=O)C1 1300496556 SDGLBJQFUQAGGX-KRWDZBQOSA-N 475.590 2.063 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1CCN(C)C1CCCC1)[C@H]1CCS(=O)(=O)C1 1300500947 GDFQGKIYUDFKIQ-FQEVSTJZSA-N 461.657 2.432 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(F)cc2Br)n1CCS(=O)(=O)N(C)C 1300569230 HCTZBEMLLUZJMW-UHFFFAOYSA-N 482.379 2.201 30 10 JEEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCN1CCOCC1(C)C 1300579030 RHVIXAZAGMYKPI-UHFFFAOYSA-N 476.629 2.026 30 10 JEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CCc1nccc(C(F)(F)F)n1 1300663708 HOVYETWEEPLXRM-UHFFFAOYSA-N 477.447 2.143 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCS(=O)(=O)C1 1300788834 NOVYFDZWVXIFAW-SCLBCKFNSA-N 452.378 2.463 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@]1(O)CCS(=O)(=O)C1 1300790455 RCOLDZNXVDPHBM-RTWAWAEBSA-N 464.975 2.149 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1300877789 ZSXGIRKWPDZPOQ-UYAOXDASSA-N 473.622 2.124 30 10 JEEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H]2CCCCCC[C@H]21 1300989714 FRYXERABIVCYEI-ZCNNSNEGSA-N 467.636 2.363 30 10 JEEE C=C(C)COCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCN(C(=O)NC)CC1 1300991995 ROMVSOINVRHTBW-UHFFFAOYSA-N 494.600 2.290 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCOC[C@@H]1OC 1301338317 VRSIWWZPSTXYJW-GIVPXCGWSA-N 455.559 2.482 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1301586639 HRRREBSTNJZPTA-IFMALSPDSA-N 491.633 2.156 30 10 JEEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2CC2([S@](C)=O)CCC2)CC1 1359037919 DBZVZUYYGQOFLY-YTTGMZPUSA-N 455.628 2.128 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCS(=O)(=O)CC2CC2)CC1 1359038928 QIQUMTNHBLBSQZ-UHFFFAOYSA-N 471.627 2.054 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCNC(=O)OC(C)(C)C)CC1 1359039355 FOUMJAYSLJOCJU-RTBURBONSA-N 460.623 2.477 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(NC(=O)C2CC2)CC1 1359118320 BYPAFEYMOCGBFG-UHFFFAOYSA-N 472.615 2.267 30 10 JEEE C=CCCOCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@]2(CCOC2)C1 1359223715 UKFIAAFBKUGQAT-QHCPKHFHSA-N 475.615 2.405 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC=CO1 1359259436 WKMWXHXJWYAPRU-NHCUHLMSSA-N 473.599 2.496 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC(O)(Cc2ccc(F)cc2)CC1 1359297604 VYEUYUDMKWQLGD-UHFFFAOYSA-N 452.534 2.299 30 10 JEEE C=CCOc1ccc(Cn2c(CC)nnc2N2C[C@H](C)[C@H](N3CCN(C(C)=O)CC3)C2)cc1 1359308127 FEGBYZRRNOUWOB-WMZHIEFXSA-N 452.603 2.442 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCO[C@H](C#N)C1 1359327457 BNYJBCJEBXHXIS-QGZVFWFLSA-N 452.540 2.131 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1359332280 UIHZIEDQBIKENA-QFIPXVFZSA-N 494.706 2.115 30 10 JEEE CC1(C)CN(CCn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@](F)(C#N)C2)CCO1 1360830122 FIGTWMMGZJCYQK-HSZRJFAPSA-N 453.522 2.282 30 10 JEEE N#Cc1c(F)cccc1-n1ccc(NC(=O)c2cccc(CN3CCS(=O)(=O)CC3)c2)n1 1435853728 CPFDTHCSWMQTSW-UHFFFAOYSA-N 453.499 2.366 30 10 JEEE C#CC1CCN(CC(=O)NCCN2C(=O)S/C(=C\c3ccc(OC)c(OC)c3)C2=O)CC1 1460291565 YDYODAROSBNUHD-ZHZULCJRSA-N 457.552 2.202 30 10 JEEE CCO[C@@]1(c2nnc(N3CCC(C#N)CC3)n2CC(=O)N(C)Cc2ccccc2)CCOC1 1502668243 DZMMBBOHKSIGHM-DEOSSOPVSA-N 452.559 2.329 30 10 JEEE N#CC1CCN(c2nnc(COc3ccccc3F)n2CCS(=O)(=O)N2CCSCC2)CC1 1505320984 BYJIENBRKYUCGR-UHFFFAOYSA-N 494.618 2.115 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H](C)c1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 1507632346 ZHXGCLQUVVAEHX-AZUAARDMSA-N 450.568 2.474 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CCCN1C[C@@H](C)C[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1507635778 VIRDOKZNVCJLMG-FUPPJEDESA-N 484.670 2.259 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@]1(O)CCSC1 1507687574 QTSLBCYABIDFPQ-HSZRJFAPSA-N 452.584 2.393 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccncc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1507701931 PPSKWPKXUVRRIX-NRFANRHFSA-N 482.585 2.324 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCN1CCSCC1 1507704060 NQLGXTFITSKURA-UHFFFAOYSA-N 451.600 2.470 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1ccc(OC)nc1 1507710323 NQOKWQQALHYSQL-UHFFFAOYSA-N 473.537 2.213 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccc(Cl)c3)n2C[C@H]2CCC(=O)N2)n1 1507716218 IOQRYWXJSSZSMT-LJQANCHMSA-N 467.961 2.360 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@]2(C)COCCO2)CC1 1507736114 MLGXROPTJSAOJE-BVZFJXPGSA-N 485.560 2.329 30 10 JEEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1507753266 DJMLMELNMLUQDS-PKOBYXMFSA-N 457.604 2.284 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(N2CCCC2)cc1 1507832128 OPAXTZDVCFYNOO-OAQYLSRUSA-N 474.631 2.424 30 10 JEEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1507930168 ZPTWDKUXQBXYEW-HSZRJFAPSA-N 466.546 2.096 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1508075428 WBTPGFVGYDSUFD-AWEZNQCLSA-N 473.379 2.140 30 10 JEEE CCOC(=O)N[C@H](CC(C)C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)C1 1516057582 APWAQOYWXKBHSX-LJQANCHMSA-N 483.573 2.168 30 10 JEEE COc1cc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCN2CCSCC2)cc(OC)c1OC 1517962698 HFEXPGWCFLVJPQ-QFIPXVFZSA-N 476.578 2.462 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2CC2(O)CC(OCC)C2)c1 1539043816 UTVRKSRHLMWEBX-UHFFFAOYSA-N 474.565 2.250 30 10 JEEE C#CCCCn1c(Cc2cccnc2)nnc1N1C[C@@H](C(=O)OC)[C@H](CNC(=O)OC(C)(C)C)C1 1539128227 WQJYRWIJBZZVRL-WOJBJXKFSA-N 482.585 2.427 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1CCC[C@H]1CCCN1C(=O)OC(C)(C)C 1539261098 XMKUSEPEQURSBR-RTBURBONSA-N 454.575 2.482 30 10 JEEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H]2[C@@H](C)CCN2C(=O)OC(C)(C)C)CC1 1539444411 NRBFWBMFJRGLBG-ICSRJNTNSA-N 468.606 2.079 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC[C@H]2C[C@H](F)C2)CC1 1539468603 GCQANVIIBRHCKZ-WXVUKLJWSA-N 461.582 2.423 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC2=CCCCC2)CC1 1539482081 QWVZBLDGHWKYSW-HXUWFJFHSA-N 459.616 2.037 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2CC2([S@](C)=O)CCC2)CC1 1539489116 QXRZVERNLNHGSW-UMSFTDKQSA-N 483.638 2.167 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C(C)(C)C)C1 1539631661 MQBDYMHRPKMPBB-XWSJACJDSA-N 452.621 2.413 30 10 JEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(c2nc(C)no2)CC1 1539967060 OAANVOPOEPSSBR-SFHVURJKSA-N 479.607 2.043 30 10 JEEE COC(=O)[C@@H](NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)c1ccc(OC)c(Cl)c1 1567753132 HAXQVUYARURLRO-IBGZPJMESA-N 450.900 2.166 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1C[C@H](c1ccccc1)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1588029199 FCKRZHJDMBWIKH-AKIFATBCSA-N 485.654 2.492 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2CC(F)(F)C2(OC)CCOCC2)CC1 1588806191 IXMKKMZMTINCPD-UHFFFAOYSA-N 460.529 2.235 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Br)n2Cc2cnn(C)c2)CC1 1588908322 OTRAQUVBLZFBGQ-UHFFFAOYSA-N 482.386 2.455 30 10 JEEE C#CCSCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1589048200 XUCNVWBSXNYEAE-IBGZPJMESA-N 499.666 2.263 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C[C@H]2CCOC2)C1 1589069017 HJEXBOZPPURSLA-IPMKNSEASA-N 452.646 2.190 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)N(C)Cc1ccccc1 1589151308 WZGYOYLJWYBJAK-DNVFCKCGSA-N 458.632 2.401 30 10 JEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(N(C)C)Cc3ccccc3C2)CC1 1594192041 CRUHIEPCFHXMCS-GOSISDBHSA-N 472.659 2.390 30 10 JEEE C=CCn1c(N2CCC(CC(=O)N3CCN(CC)CC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1595453038 KGJUSIWKXPZCJZ-RUZDIDTESA-N 474.650 2.275 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1595556242 PZHPNIMTIGMGNK-GOSISDBHSA-N 470.574 2.283 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2Cc2ncn(C)n2)C1 1595753362 HNQXYPPPXKORHG-SJORKVTESA-N 458.567 2.308 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1595789239 PWIHYMHJOUSAMZ-KRWDZBQOSA-N 484.582 2.258 30 10 JEEE CC1CCN([C@@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(CC(=O)N(C)C)CC2)CC1 1612822203 DSVFDRFVGMYCJO-NRFANRHFSA-N 478.645 2.147 30 10 JEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1cccc(C(=O)N2CCSCC2)c1 1627050086 HUJJJPCTXKUITQ-OAHLLOKOSA-N 458.565 2.053 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1C[C@H](c1ccc(C)o1)N1CCOCC1 1649537806 FLYDUKIQNAANJE-NRYAXDJKSA-N 457.575 2.363 30 10 JEEE C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)N(CC)CC)CC1)c1ccc(Br)cc1 1683512241 IIYNDNILLOWHCQ-QGZVFWFLSA-N 457.394 2.037 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccccn3)n2CCN(C(=O)OC(C)(C)C)C2CC2)CC1 1690120518 XNXYKDVQSGLDDO-UHFFFAOYSA-N 451.575 2.495 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCCc2cc(OC)ccc2OC)CC1 1690144260 RNVABPKOQOSYJU-UHFFFAOYSA-N 489.580 2.351 30 10 JEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](F)[C@@H](c2ccccc2)C1 1690154959 BNQYSVBGARIBOQ-KBAYOESNSA-N 451.593 2.197 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1690228829 GWNPSMJYOCAINK-IAGOWNOFSA-N 451.369 2.491 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)NCCCC)CC1 1690245831 NKGPOHOIICJOPS-NJYVYQBISA-N 493.674 2.294 30 10 JEEE C=C(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1690279993 RDCHAERCWPFQQG-UHFFFAOYSA-N 460.966 2.356 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCOC[C@@H]1C 1690603516 COFDSZJSTDWFJJ-RBBKRZOGSA-N 473.643 2.136 30 10 JEEE C=CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1690642575 WPMKICWHPBUTFI-MSOLQXFVSA-N 487.605 2.345 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N(CC)CC1CCN(c2ccccn2)CC1 1690669248 ZFJQSASKXASZHS-UHFFFAOYSA-N 461.574 2.175 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCC=C(Br)C1 1690725304 LRCFAUWTCQRBAM-UHFFFAOYSA-N 452.378 2.354 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(C(=O)N2CCCC2)n1C[C@@](C)(O)C1CC1 1698047410 DXACIQISVGORSG-XMMPIXPASA-N 452.559 2.200 30 10 JEEE C[C@H]1CN(C2CCOCC2)CCN1c1nnc(-c2cccc(C#N)c2)n1CC(=O)NCC(F)(F)F 1698458244 FIJWKRCHZISIGG-INIZCTEOSA-N 491.518 2.185 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cscc1C(F)(F)F 1705495908 XLDLHRSTCDJKDV-SWLSCSKDSA-N 477.534 2.198 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)c1ccc(OC)cc1 1705533789 ZWODAUHJPWDZIG-PXNSSMCTSA-N 461.588 2.230 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H](OC)C(C)C)[C@H]1CCS(=O)(=O)C1 1705560177 FCNTZPCTGBEKPR-RBUKOAKNSA-N 461.544 2.151 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C)CC1 1705620406 SPPKMGRSXYNUPG-LJQANCHMSA-N 461.563 2.190 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCCN(c2nccc(OCC)n2)CC1 1705695926 ZXEKTYIQKMHTGW-TZIWHRDSSA-N 498.632 2.303 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(OC)CC1 1705696871 IRQJUQJJQHSFJJ-WIRSXHRWSA-N 455.625 2.265 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC[C@H]1COCCO1 1705713063 RDXQNWBLGQYZNQ-IBGZPJMESA-N 463.604 2.403 30 10 JEEE C=C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2(S(C)(=O)=O)CC2)CC1 1705764961 UGGHTWDAWFBLGE-UHFFFAOYSA-N 450.586 2.082 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CCC[C@H](C(=O)OC)C1 1705899503 VLOGSMRRWOBANX-AWEZNQCLSA-N 462.348 2.399 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1705937163 KVHLOZWDOUZFAM-SFHVURJKSA-N 474.612 2.208 30 10 JEEE CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCCC(C)(C)C2)CC1=O 1711280489 HUVRCKVIPNNKKS-UHFFFAOYSA-N 451.575 2.129 30 10 JEEE COC(=O)N1CCC(Cn2c(-c3ccc(C#N)cc3)nnc2N(CCS(C)(=O)=O)C2CC2)CC1 1711464853 DKIDDCWJGRXPSY-UHFFFAOYSA-N 486.598 2.309 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CC1CCC(OC)CC1)[C@H]1CCS(=O)(=O)C1 1722368211 POONRTJEAUPZHD-NUVZVAJJSA-N 450.605 2.004 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H](C)Oc2ccc(OC)cc2)CC1 1722433220 PUTOPCAKINBNSN-CJFMBICVSA-N 469.586 2.162 30 10 JEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 1722440093 BMFHIUHGOYLMCU-NRFANRHFSA-N 482.633 2.294 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2Cc2cccc(C(=O)N(C)C)c2)CC1 1722446385 USEQTXNKFBCMLY-UHFFFAOYSA-N 471.565 2.056 30 10 JEEE C#CCSCCn1c(N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)nnc1[C@]1(OCC)CCOC1 1722464435 GEMDUKGGJXCVSX-MBSDFSHPSA-N 495.646 2.027 30 10 JEEE C=C(Br)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1722479363 CSQIFOVZSXSDDG-UHFFFAOYSA-N 472.391 2.372 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc(-c2cccnc2)n1C[C@]1(O)CCS(=O)(=O)C1 1722673083 IEKUSLGLNRGPME-HSZRJFAPSA-N 453.568 2.125 30 10 JEEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1722683076 CNCMINUELYRNQE-SFHVURJKSA-N 474.631 2.071 30 10 JEEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1722683402 LCMPLZLGXUFZQU-KRWDZBQOSA-N 477.587 2.265 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1722726666 ALFREKOAZVDHRV-UHFFFAOYSA-N 479.569 2.362 30 10 JEEE CCOC(=O)N[C@@H](CC(C)C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)NC)CC1 1728703606 CPSGHXLAFPLPTE-FQEVSTJZSA-N 482.589 2.439 30 10 JEEE CNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)OC(C)(C)C)CC1 1729672315 FIQYDBHHCQXZHB-UHFFFAOYSA-N 453.547 2.304 30 10 JEEE C#CCN(C)c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1C[C@@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1740598629 YBVDPHAXNZHJQW-NZSAHSFTSA-N 474.606 2.290 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCN(CC)C(C)C)[C@H]1CCS(=O)(=O)C1 1740618430 HMJIDMVXBVIZNN-FQEVSTJZSA-N 474.587 2.210 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@H](C)CN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1740620711 XCYDLSOTPKFOPA-TZIWHRDSSA-N 471.627 2.312 30 10 JEEE C#CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CCSC1 1740679494 AMLXQZXCFJMWCZ-KRWDZBQOSA-N 462.645 2.386 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCCNC(=O)OC(C)(C)C)CC1 1740706364 SNIPAZAXTQISDK-LJQANCHMSA-N 474.606 2.400 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCCN2CCOC2=O)CC1 1740707839 RXDXYJXNAQFYCX-UHFFFAOYSA-N 494.596 2.282 30 10 JEEE C#CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(COC)CC1 1740716233 VFALVOBAPDYHGB-UHFFFAOYSA-N 462.645 2.467 30 10 JEEE C=C(Br)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC2(CCN(C)C2=O)CC1 1740735979 CWAWGYTYTHQHKN-UHFFFAOYSA-N 474.363 2.283 30 10 JEEE C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C(=O)NCCCOC)CC1 1740801410 YYTBSZKHWAFLQE-UHFFFAOYSA-N 461.954 2.047 30 10 JEEE C=CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 1740943133 PBPNXZRZSWAZCY-UHFFFAOYSA-N 490.630 2.210 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1740951702 LRJHHRQBZUZDOK-KFKAGJAMSA-N 456.522 2.107 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCC2(CCN(C)C2=O)CC1 1740969102 TWHLRQYUPSZWGK-UHFFFAOYSA-N 466.586 2.478 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)OCC)CC1 1740992584 JYPDSMGCEHMPSB-UHFFFAOYSA-N 461.588 2.057 30 10 JEEE CN(C)C(=O)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(Cn2ccnn2)CC1 1747532833 HYCNOMLVKZDLKY-UHFFFAOYSA-N 477.573 2.105 30 10 JEEE CNC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCN(C)CC(F)(F)F)C1 1748189040 DBRANVFUEXMREO-QGZVFWFLSA-N 479.507 2.185 30 10 JEEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1748697448 IQTNXFUKJKEWEV-IFMALSPDSA-N 492.628 2.108 30 10 JEEE C#CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1748735626 SEURDWJMXCEMJZ-QGZVFWFLSA-N 451.531 2.056 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1Cc1snnc1C)[C@@H]1CCS(=O)(=O)C1 1748807830 CSBXNEHDHLSYTO-OAHLLOKOSA-N 494.549 2.381 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2C[C@@](C)(O)c2ccco2)CC1 1749019459 UYMAJZSGIFNELW-RUZDIDTESA-N 481.528 2.463 30 10 JEEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(=O)c2cccc(Cl)c2)CC1 1749170804 UGQJQWIOXVAMHW-INIZCTEOSA-N 481.022 2.470 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1749653191 XZKIFJUEOMDYNG-QFIPXVFZSA-N 480.613 2.197 30 10 JEEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)Cc2cccc(F)c2)CC1 1760153538 UWUOSQQJPRWVEI-FQEVSTJZSA-N 452.534 2.063 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC(C)(C)CN(C)C)[C@H]1CCS(=O)(=O)C1 1760182018 AOEBDQZSVGTJER-IBGZPJMESA-N 474.587 2.068 30 10 JEEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCC(C)C)[C@@H]1CCS(=O)(=O)C1 1760182273 DQPMODUBOIKMQV-LJQANCHMSA-N 478.640 2.412 30 10 JEEE C#CCN(c1nnc(C(C)C)n1Cc1ccc(Cn2cccn2)cc1)[C@H]1CCS(=O)(=O)C1 1760184440 XHARZGUUAIWJGY-NRFANRHFSA-N 452.584 2.321 30 10 JEEE C#CCN(c1nnc(C(C)C)n1Cc1ccnc(OC2CCOCC2)c1)[C@@H]1CCS(=O)(=O)C1 1760184695 YBHKSAZELLRANV-LJQANCHMSA-N 473.599 2.029 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1 1760218924 QEVRFPSHMZZLSZ-QHAWAJNXSA-N 459.660 2.400 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2CCCN2C[C@H](C)O[C@H](C)C2)CC1 1760254713 HQOQIMYUMIRZOM-OYRHEFFESA-N 452.603 2.208 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(CC)(CC)NC(=O)OC(C)(C)C)CC1 1760259983 JWKOQNSMXJADHH-GOSISDBHSA-N 473.622 2.068 30 10 JEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1Cc2ccoc2CC(C)(C)C1 1760275292 UTAFGRXDUFFHQG-OAHLLOKOSA-N 451.618 2.437 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(F)cc2Br)n1CCNS(C)(=O)=O 1760292244 VIPMKEWIHCTMCX-GOSISDBHSA-N 470.368 2.388 30 10 JEEE C=C(Br)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1760310376 CSBLIGKNKATBJI-GOEBONIOSA-N 495.447 2.335 30 10 JEEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(N2CCOCC2)CCCCC1)C1CC1 1760470448 SLOGAPZFMNZPRB-GOSISDBHSA-N 466.652 2.078 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1760505344 RQYDNAPLNVLJLC-SJORKVTESA-N 471.624 2.074 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@H](C(=O)NC)C1 1760516616 ROAORHPIMOQGFF-MOPGFXCFSA-N 454.575 2.300 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC([C@@](C)(O)C(F)(F)F)CC2)nnc1[C@]1(OC(C)C)CCOC1 1760529150 XYLQXAQIAAXSHW-RTWAWAEBSA-N 489.539 2.151 30 10 JEEE O=C([C@H](Cc1c[nH]c2ccccc12)N=C1NS(=O)(=O)c2ccccc21)N1CCC(CO)CC1 1869928061 ORFHEWZVQUKZMB-NRFANRHFSA-N 466.563 2.049 30 10 JEEE COc1cc(/C=N/n2c(SCCO)nnc2[C@H]2CC(=O)N(Cc3ccccc3)C2)ccc1O 1874208599 JUGHVLFYBCGBKK-VQXFCIMOSA-N 467.551 2.475 30 10 JEEE Cc1cccc(N2C[C@H](C(=O)N3CCC(OCC#CCN4CCN(C(C)C)CC4)CC3)CC2=O)c1 1889545184 XRARCBDAWPZPLM-XMMPIXPASA-N 480.653 2.385 30 10 JEEE CC1(C)OB(c2ccc(CNS(=O)(=O)N3CC(OCc4ccccc4)C3)cc2)OC1(C)C 2105648160 VNSHKGKNGDIBNY-UHFFFAOYSA-N 458.389 2.221 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](NS(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2255796051 ZXNMHDJRODLCNR-OAHLLOKOSA-N 472.438 2.476 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@@]1(C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2256666235 RJWDJDSQFTYKDN-FQEVSTJZSA-N 453.370 2.407 30 10 JEEE CN(CC(C)(C)CNC(=O)OC(C)(C)C)C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2267178758 GWQOVBSTIJMPIK-UHFFFAOYSA-N 450.389 2.342 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2267362480 SPXDVSWWEXDQDZ-HNNXBMFYSA-N 470.372 2.413 30 10 JEEE CC1(C)OB(c2cncc(S(=O)(=O)N3C[C@H]4C[C@H]3CN4Cc3ccccc3)c2)OC1(C)C 2267379016 PCQNAMBZOYTOEO-UXHICEINSA-N 455.389 2.028 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]1CNS(=O)(=O)Cc1ccccc1B1OC(C)(C)C(C)(C)O1 2267411883 FQXGJJCPHFUHIK-AEFFLSMTSA-N 466.409 2.318 30 10 JEEE CC[C@H](CN(C)S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1)NC(=O)OC(C)(C)C 2267705344 XOEFOVNWBFBQAJ-MRXNPFEDSA-N 469.413 2.305 30 10 JEEE C=C(CS(=O)(=O)N1CCO[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]21)B1OC(C)(C)C(C)(C)O1 2267726883 RCPBSXCLPDBQAP-SJORKVTESA-N 472.413 2.214 30 10 JEEE CCO[C@@H](CNC(=O)OC(C)(C)C)CC(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2268716699 GWIRLWSJNNSGPK-CQSZACIVSA-N 469.413 2.378 30 10 JEEE Cn1cc(C(=O)N2CC[C@@H](CNC(=O)OC(C)(C)C)C2(C)C)nc1B1OC(C)(C)C(C)(C)O1 2282050554 CFPXUDKPYXXWSU-HNNXBMFYSA-N 462.400 2.485 30 10 JEEE Cn1ncc(C(=O)N[C@H]2C[C@@H](CNC(=O)OC(C)(C)C)C2(C)C)c1B1OC(C)(C)C(C)(C)O1 2282558023 DIIMURKQQDTQTA-HOCLYGCPSA-N 462.400 2.389 30 10 JEEE Cc1c(C(=O)N2C[C@H](F)C[C@H]2CNC(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282562223 YCFIMNMEPKFQRN-CABCVRRESA-N 466.363 2.105 30 10 JEEE Cn1nc(C(=O)N2C[C@@H]3CC[C@H](NC(=O)OC(C)(C)C)[C@H]3C2)cc1B1OC(C)(C)C(C)(C)O1 2282626936 FMRRUSMQXQITMB-JYJNAYRXSA-N 460.384 2.095 30 10 JEEE CN1CCN(C(=O)OC(C)(C)C)[C@@H](CNC(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282677480 ZJEBIHLWNMZJPG-IBGZPJMESA-N 459.396 2.267 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NCCN(CCOC)C(=O)OC(C)(C)C 2282688836 ZVQYNEVAYYLZMH-UHFFFAOYSA-N 465.400 2.421 30 10 JEEE CN(C[C@H](O)COCc1ccccc1)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2282828477 OYENXEYRNCKEFJ-IBGZPJMESA-N 479.379 2.323 30 10 JEEE Cc1cc(S(=O)(=O)N2C[C@@H](C)C[C@@H](NC(=O)C(F)(F)F)C2)sc1B1OC(C)(C)C(C)(C)O1 2282834294 RSAQMLHYCOKXEG-WCQYABFASA-N 496.382 2.433 30 10 JEEE CC1(C)OB(c2ccc(O)c(C(=O)NC[C@H]3CN(C(=O)OCc4ccccc4)CCO3)c2)OC1(C)C 2282971942 JJTQBGNGXDITID-FQEVSTJZSA-N 496.369 2.459 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1COC[C@@H]1CC(=O)N=c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)[nH]1 2284059876 JJSKBJCFQKROID-ZFWWWQNUSA-N 481.786 2.324 30 10 JEEE Cn1cc(C(=O)N2CC(F)(F)[C@@](C)(NC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2361914823 AEMPTZXWQMLULG-FQEVSTJZSA-N 470.326 2.094 30 10 JEEE N#Cc1ccccc1S(=O)(=O)N1CCC(c2nc(=O)c3nnn(Cc4ccccc4)c3[nH]2)CC1 20463119 DYVRPGBUDSLKDU-UHFFFAOYSA-N 475.534 2.003 30 10 JEEE C=CCSc1nnc(NC(=O)CSc2nnc(-c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2N)s1 59046701 YNLXZUWFKKJUBJ-UHFFFAOYSA-N 495.528 2.336 30 10 JEEE COc1cc(/C=N/Nc2nc(SCC(=O)NCc3nnc(C(C)C)o3)n[nH]2)cc(OC)c1OC 59883740 KUSSIRCNGWEZRX-GZIVZEMBSA-N 490.546 2.191 30 10 JEEE CC(=O)Oc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CCN(C)C)cc1 170108824 JVSNLMGFQKLJME-NRFANRHFSA-N 452.463 2.481 30 10 JEEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)s3)cc2)CC1 684666835 VNBINVJJQNHWMJ-UHFFFAOYSA-N 483.015 2.262 30 10 JEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)S(=O)(=O)c2cc3c(cc2Cl)OCCO3)c1 727670668 CXEOGFGJWMOZLU-UHFFFAOYSA-N 476.938 2.147 30 10 JEEE COc1cc2c(cc1OC)CN(S(=O)(=O)NC(=O)[C@@H](Oc1ccccc1C#N)C(C)C)CC2 729906920 YCFRSTSXJSONQE-QFIPXVFZSA-N 473.551 2.398 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)NS(=O)(=O)c3ccc(OC)c(Br)c3)cc2C1=O 731300039 FEYDKONFSQZKTL-UHFFFAOYSA-N 479.308 2.358 30 10 JEEE O=C(NCC#CC(=O)N1CCn2ncc(C(=O)O)c2C1)OCC1c2ccccc2-c2ccccc21 757540844 OFILMTNJDHQOEN-UHFFFAOYSA-N 470.485 2.466 30 10 JEEE Cc1ccc(-c2noc([C@@H](C)NC(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)n2)cc1F 1137502363 ICXUPJKWRRIZBM-CYBMUJFWSA-N 457.487 2.490 30 10 JEEE CC(C)(C)OC(=O)N1CCC2(CC1)CO[C@H](CNC(=O)CNC(=O)c1ccc(C#N)cc1)C2 1153981913 DVEVBFPDWYEUNW-IBGZPJMESA-N 456.543 2.210 30 10 JEEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(c2cccnn2)CC1 1286353455 WTOUNGLGNZSJQY-IBGZPJMESA-N 482.589 2.117 30 10 JEEE C#CCN(C)c1nnc(-c2ccc(OC)c(OC)c2)n1CCNS(=O)(=O)c1ccc(C)s1 1286366849 FSFSROPMZVYFOE-UHFFFAOYSA-N 475.596 2.380 30 10 JEEE C#CCN(c1nnc(CCOc2ccccc2)n1CC[S@@](=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1286391039 GACKCPGRKZGFQE-AYLZSAKASA-N 492.667 2.074 30 10 JEEE C=CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCCN(S(C)(=O)=O)CC1 1286687814 RMNGSQHIWWABMK-UHFFFAOYSA-N 495.675 2.066 30 10 JEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCNc1ncc(Cl)cc1Cl 1286727583 UVWKXIVDPCXVEJ-OAHLLOKOSA-N 490.417 2.047 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cnn(C)c2)n1CC1(C(N)=O)CCOCC1 1286740259 GWCIGXCAMYGDCO-UHFFFAOYSA-N 465.558 2.162 30 10 JEEE C=CCN(CC=C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCCCS1(=O)=O 1286752722 FYCOTQFHCXFIEO-FQEVSTJZSA-N 493.655 2.341 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC[C@@H](C(=O)OC)C1 1286786386 DDZKEXAYKMRZLZ-QGZVFWFLSA-N 450.499 2.292 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1286816227 GOXUIVVFZNAFNL-INIZCTEOSA-N 479.006 2.240 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1286816241 DFAHIYOICVKHGA-MJGOQNOKSA-N 488.589 2.335 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2COCCO2)C1 1287071843 CWGNGHQCGRLXDN-RBUKOAKNSA-N 454.531 2.336 30 10 JEEE CCN(C)C(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1295087422 GNMSZAXGIYBVKP-DENIHFKCSA-N 480.617 2.268 30 10 JEEE C#CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1300344374 APKCOIOOYQJQDD-CZUORRHYSA-N 450.337 2.199 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@](C)(O)CCC)[C@@H]1CCS(=O)(=O)C1 1300489424 NUSDBUMLGGNYKQ-UZUQRXQVSA-N 476.599 2.140 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CCCCN1CCOCC1)[C@H]1CCS(=O)(=O)C1 1300489716 QZIMTQJHDAVRLD-NRFANRHFSA-N 492.045 2.338 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCO3)n1CCNS(=O)(=O)c1ccc(C)s1 1300572448 VMTDMFFXPKCUHK-UHFFFAOYSA-N 497.602 2.485 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1coc(-c2ccc(C)cc2)n1 1300672323 YNOZWRIKHOGKKF-HXUWFJFHSA-N 483.594 2.472 30 10 JEEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1300766257 XYSYQVJVDSZTAJ-REWPJTCUSA-N 496.681 2.233 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CCCC(=O)NC 1300870762 WAJUCCNRIDAHSN-WIYYLYMNSA-N 475.615 2.292 30 10 JEEE C=CCCCn1c(N2C[C@H](C)[C@@H](N3CCN(C(C)=O)CC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1301235083 UZYDEBHRDSFFNF-XTJBDQBJSA-N 474.650 2.274 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(c2ncc(C)s2)CC1 1301521101 ZYLVGZGZUIGKHZ-HKUYNNGSSA-N 460.604 2.453 30 10 JEEE C=CCOc1ccc(Cn2c([C@H]3CCOC3)nnc2N2CCC(CNS(C)(=O)=O)CC2)cc1 1301524781 DJRUISARXKXKOO-FQEVSTJZSA-N 475.615 2.161 30 10 JEEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CCN2[C@@H](C)CC[C@H]2C)CC1 1301609657 MPXLWKNSDISYIH-HSALFYBXSA-N 461.680 2.143 30 10 JEEE C[C@@H]1N(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)N2CCSCC2)CCOC1(C)C 1305239408 AETHQYODHBDHQR-KRWDZBQOSA-N 490.655 2.199 30 10 JEEE CCn1nc(-c2nnc(N(C)[C@@H](C)CC#N)n2C[C@@H]2CCCCS2(=O)=O)c2ccccc2c1=O 1313958610 DAYKLDXZLNYRKG-IRXDYDNUSA-N 483.598 2.381 30 10 JEEE C#CCN(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCS(=O)(=O)N1CCSCC1 1358939445 WVKRJSULALRWMI-MRXNPFEDSA-N 467.592 2.005 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@H](C)N(C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1358965143 OQXJJIKSEOLGIN-NZQKXSOJSA-N 478.622 2.416 30 10 JEEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1358966368 NKMZMURSHIPUQK-KSZLIROESA-N 475.640 2.333 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1358985882 JIMBOIOAKSEZKA-HFZDXXHNSA-N 478.597 2.062 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)COCc2ccccc2)CC1 1359028656 ZKTUCOSQQCGWIC-NRFANRHFSA-N 450.587 2.122 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCN(C)c2ccccc2)CC1 1359044629 KQHDIDNZTNQDFP-NRFANRHFSA-N 450.587 2.274 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H](C)CN1CCN(CC)CC1 1359064901 CHTVAYOJVKHOAR-FTBPSBKWSA-N 458.651 2.196 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCN(c2cccnn2)CC1 1359090709 FNHQUFXAIWPGPP-DYXWJJEUSA-N 457.579 2.100 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCOC2)n1CCC[C@@H]1NC(=O)NC1=O 1359257093 YWPWGNKMZRARKH-PMACEKPBSA-N 463.542 2.225 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCN(Cc2cnc(C)s2)CC1 1359297092 FFKBSEMTWSHLMI-UHFFFAOYSA-N 455.563 2.474 30 10 JEEE CC(C)NS(=O)(=O)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H](C)CC#N 1360319009 BOZNWTZCHPYLMX-SJORKVTESA-N 483.639 2.416 30 10 JEEE C=CCC[C@H](NC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)OCC 1468125693 OHHQLEWAKVFXMV-ZWKOTPCHSA-N 453.517 2.152 30 10 JEEE COc1cccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@](C)(C#N)C2)c1OC 1504356126 GPMRGBSAMHHZAM-VFNWGFHPSA-N 462.576 2.084 30 10 JEEE N#C[C@H]1CN(c2nnc(Cc3cccnc3)n2CCCn2cc(Br)cn2)CCO1 1505322724 AIMHTJIRCVGDHV-KRWDZBQOSA-N 457.336 2.042 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OCC)CCOC3)n2C[C@H]2CCOC[C@H]2OC)c1 1507549494 GTLBRVPQYBHBJF-MZEQIWSPSA-N 497.596 2.038 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1OCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1507630062 YZTKOWUYFMMLJC-DLBZAZTESA-N 463.991 2.435 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@H]1CCC=CO1)[C@H]1CCS(=O)(=O)C1 1507634296 JLLOKXMOYRRXCK-VQTJNVASSA-N 456.568 2.197 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Br)cc3)n2CCOCCCO)CC1 1507734010 FKENLUPNJYUZIM-UHFFFAOYSA-N 490.402 2.072 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(OC)nc2)CC1 1507741121 VADKZLILYWIEIY-UHFFFAOYSA-N 485.548 2.146 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(C(=O)NCCOC)CC1 1507804425 GASGZYOBGSLFJK-FYYLOGMGSA-N 485.633 2.100 30 10 JEEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1507838390 BFRGCWXPELCGGN-RTWAWAEBSA-N 476.599 2.326 30 10 JEEE C=C(C)COCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1507844789 PNMQVKBFQSFJNT-XMMPIXPASA-N 468.606 2.007 30 10 JEEE C#CCN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1(S(C)(=O)=O)CC1 1539384071 VUDVAMHQIQEEPN-IYBDPMFKSA-N 451.593 2.086 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1Cc1c(CC)nn(C)c1OC 1539401271 YSMIAGLHNIBUAQ-UHFFFAOYSA-N 490.406 2.485 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2cnn(C)c2C)CC1 1539470509 SKODMYDLNQDING-UHFFFAOYSA-N 485.390 2.092 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccn(Cc2ccccc2)n1 1539538810 NPSGEOIXAMAGKD-WZONZLPQSA-N 467.599 2.174 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCO[C@@H](c2ccc(F)cc2F)C1 1540873197 QRZJYDOBURKIBZ-HXUWFJFHSA-N 454.481 2.422 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N(CC)[C@H]2CCS(=O)(=O)C2)cc1 1540876979 HQEHCYNZSZWIRI-SFHVURJKSA-N 461.588 2.043 30 10 JEEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2c(F)cc(F)cc2C1 1540916644 DJNGLSHLYGJYNV-IBGZPJMESA-N 499.609 2.371 30 10 JEEE CS(=O)(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CCCC2)C1 1555794348 CAQVHZVNKVUJRP-LJQANCHMSA-N 491.639 2.188 30 10 JEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(C(=O)NCCN2CCCC2)cc1 1586290752 ONILHTFKWAMAQO-OAQYLSRUSA-N 456.587 2.435 30 10 JEEE C#CCCCCn1c(C(C)C)nnc1N1C[C@@H]2[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1587702229 QUFWSMNYROKTGS-FGTMMUONSA-N 465.620 2.332 30 10 JEEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1587898304 NKTKZJSHPPNYLE-RXVVDRJESA-N 453.543 2.084 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1-c1cnn(C)c1 1588228148 BOSGAPHLWXOLNK-FQEVSTJZSA-N 462.579 2.092 30 10 JEEE C#CCN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCN1CCOCC1(C)C 1588261961 AYRBPJIGXCARAT-UHFFFAOYSA-N 458.994 2.432 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H](C)N2CCC[C@@H](C)C2)CC1 1588864742 JNZMYXLYFSWAPA-WOJBJXKFSA-N 469.659 2.145 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCO[C@@H]2CCOC2)CC1 1588898856 FJFDUYVHXVWMST-OAQYLSRUSA-N 482.541 2.015 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2CCc2ccc(OC)c(OC)c2OC)CC1 1588923955 RPALQTDPGZZKDH-UHFFFAOYSA-N 467.570 2.390 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(Cc2cnc(C)s2)CC1 1588976175 QUZNSDWNTUHNSQ-UHFFFAOYSA-N 482.639 2.379 30 10 JEEE C#CCSCCn1c(N2CCCN(C(=O)C(C)C)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1589125601 LWGMORHKWSRJDA-HSZRJFAPSA-N 463.648 2.380 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2noc3c2COCC3)nnc1N(C)[C@H](C)CS(=O)(=O)CC 1589527798 AWQSIIJIFCXXNM-GUXCAODWSA-N 479.603 2.246 30 10 JEEE C=CCSCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(C(=O)NC)CC1 1595850168 JSJGAWHDKNQWKA-UHFFFAOYSA-N 476.603 2.352 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1cc(Br)cs1 1611686305 DKROLAPDSZOYQJ-ZUZCIYMTSA-N 477.385 2.203 30 10 JEEE COc1ccc(-c2noc(CN3CCN(S(=O)(=O)c4ccc(C#N)c(C)c4)CC3)n2)cc1 1659405206 CNNFYUDUDVDMCD-UHFFFAOYSA-N 453.524 2.432 30 10 JEEE C#CCOc1ccccc1CNS(=O)(=O)[C@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1OC 1667313467 OJIUVSBXFSTWFQ-VXKWHMMOSA-N 458.536 2.154 30 10 JEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CCN1CCOCC1(C)C)[C@H]1CCS(=O)(=O)C1 1689982739 SSXVYTNLFYUDEB-FQEVSTJZSA-N 492.045 2.336 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCCC(=O)N(C)C 1690043975 VAFZYTBNYVXXNT-UHFFFAOYSA-N 473.581 2.396 30 10 JEEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@](O)(c2ccc(F)cc2)C1 1690227516 AVKIUNXLPZVSKS-BEFAXECRSA-N 450.312 2.375 30 10 JEEE C=C(C)Cn1c(COc2ccccc2F)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1690295751 NEPPFFWTPHWPDU-GOSISDBHSA-N 479.578 2.203 30 10 JEEE C=C(Cl)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1690347814 QSWUNUVHIWEVJO-INIZCTEOSA-N 450.877 2.372 30 10 JEEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 1690655025 DPVPUVFRARBJCD-OYZUSSLQSA-N 460.623 2.005 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1690718055 ZNJMUQIOUQKYIF-SFHVURJKSA-N 456.572 2.282 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCc2c(F)cc(F)cc2[C@@H]1C 1690723583 WHBVEPPDNDJURF-SCLBCKFNSA-N 465.526 2.232 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@](C)(c2ccccc2)C1 1690731185 BYKASTXTKOVBSP-ZCVJKFOLSA-N 490.626 2.355 30 10 JEEE CCN(C)C(=O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@](F)(C#N)C1 1695504082 HDSQCMJKFYQOFM-AOMKIAJQSA-N 463.558 2.313 30 10 JEEE COc1ccc(CCc2nnc(N3CCN(c4c(C#N)c(C)nn4C)CC3)n2CC(C)(C)O)cc1 1697407044 BUWSHQVSVICLSN-UHFFFAOYSA-N 478.601 2.083 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)c1ccc2c(c1)OCCO2 1705492178 MSXSNELPIJBYIL-DLBZAZTESA-N 458.584 2.387 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1([S@](C)=O)CC1 1705582289 XYNYOKXTMFVGGY-CVCYQNGTSA-N 459.616 2.377 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3ccc4ccccc43)n2C[C@@](C)(O)CCOC)CC1 1705650850 AJJSWMXQAICSNW-SANMLTNESA-N 478.597 2.034 30 10 JEEE C=C(Br)Cn1c(Cc2cccnc2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1705689039 CURXRSVZTZZXOV-UHFFFAOYSA-N 476.423 2.163 30 10 JEEE C=C(C)COCCn1c(-c2cccnc2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1705734544 SLLYPCSXGZHOTI-NZQKXSOJSA-N 467.618 2.312 30 10 JEEE C=CCCOCCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1705830666 VFZCIKUWLHDDLQ-FQEVSTJZSA-N 454.579 2.353 30 10 JEEE C=CCN(CC=C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN1CCN(C)C(C)(C)C1 1705872137 MBRIOJBNSDMZHO-UHFFFAOYSA-N 486.690 2.443 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(c2cnccn2)CC1 1705897535 NTOOICMUPJBRHP-KRWDZBQOSA-N 482.976 2.490 30 10 JEEE N#Cc1ccc(OCc2nnc(N3CCNC(=O)C3)n2Cc2ccc(OCC(F)(F)F)nc2)cc1 1712880294 DJTWQZMRRWNPLK-UHFFFAOYSA-N 487.442 2.049 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCN1CCN(CC)CC1 1722293907 PEQXMECWQHOLQO-FQEVSTJZSA-N 476.629 2.160 30 10 JEEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN([C@@H](C)c2nc(C(C)C)no2)CC1 1722321450 FUAIANMTIBGPQJ-SFHVURJKSA-N 454.579 2.317 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1CC[C@@H](C)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1722361090 KVALJYDEGPXGET-WOJBJXKFSA-N 456.616 2.231 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1Cc1cccc(CO)c1)[C@@H]1CCS(=O)(=O)C1 1722361303 GZTFQVSQDARBMZ-LJQANCHMSA-N 471.970 2.161 30 10 JEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C)N(Cc2ccccc2)CC1 1722452223 RZNOWJUCACYWEE-WOJBJXKFSA-N 490.699 2.356 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCC(NC(C)=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1722498757 DMFMOUMZFOOYCH-ZCVJKFOLSA-N 461.607 2.405 30 10 JEEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1722524263 XLGHSTNVXZFBEO-MOPGFXCFSA-N 462.595 2.467 30 10 JEEE C=CCN(CCc1ccco1)c1nnc(-c2cc(Br)cn2C)n1Cc1nnn(C)n1 1722676133 ZIFSHAJPPDHTGM-UHFFFAOYSA-N 472.351 2.446 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@H](CNC(C)=O)C1 1722688484 CZYKOFLOLGWAPS-FUHWJXTLSA-N 458.538 2.212 30 10 JEEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCC(O)(C(F)(F)F)CC1 1722701155 HYJNRFFIENPUSA-UHFFFAOYSA-N 453.465 2.095 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](CC)c2ccccc2)nnc1N1CCC2(CC1)COC(=O)N2 1722723906 IFMQGFJBEWXADE-IBGZPJMESA-N 473.599 2.500 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCOc2ccccc2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1722730029 GEQQUGAHZREXQG-DCLXLUIPSA-N 490.626 2.273 30 10 JEEE CC(=O)N1CCN(CCn2c(Cc3ccc(Cl)cc3)nnc2N2CCC(C#N)CC2)CC1 1722795597 BTNISKREHDGWSY-UHFFFAOYSA-N 455.994 2.426 30 10 JEEE CO[C@H](Cn1c(Cc2cccnc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C)C(C)C 1729892415 FMOANCMFOLPRNZ-WIYYLYMNSA-N 461.574 2.312 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1CCN1CCCS1(=O)=O 1740541384 XWULSBMYYPUBFA-GFCCVEGCSA-N 458.407 2.263 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCNC(=O)C(C)(C)C 1740547842 BLVHNPFLYYHOLA-DLBZAZTESA-N 462.595 2.207 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(Br)c2)n1CC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1740620101 NJCKVXYMPFHHQB-OAHLLOKOSA-N 497.415 2.114 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H]2N(C)CCCC2(C)C)CC1 1740693430 YAFOUPSTOATYPU-SQJMNOBHSA-N 458.651 2.194 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2c(CC)nn(C)c2OC)CC1 1740701817 QGHCPUIITOKTAF-UHFFFAOYSA-N 486.580 2.135 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1740709172 BVOQLLHIFJXWAW-VGSWGCGISA-N 456.572 2.066 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1740710565 ZMWBZVMCCJDTAI-QUCCMNQESA-N 466.611 2.476 30 10 JEEE C#CCSCCn1c(-c2cccc(Cl)c2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1740711388 MRCVUZLEOSCGQD-QGZVFWFLSA-N 454.021 2.483 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](CC)NC(=O)OC(C)(C)C 1740730538 BJVBNVKLVUWWGX-HYFFOGBASA-N 465.620 2.476 30 10 JEEE C=C(Cl)Cn1c(COc2ccccc2OC)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1740815588 FASOQQAOVLZSSF-HNNXBMFYSA-N 455.968 2.088 30 10 JEEE C=C(Cl)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1740821653 ICBCPVVOXSYNCC-HZPDHXFCSA-N 490.026 2.352 30 10 JEEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1740868185 GIYSPOPUUDPWRZ-LJQANCHMSA-N 471.631 2.438 30 10 JEEE C=CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@H]1CCOC[C@H]1OC 1740903319 UBSJLZBJHKOOSB-FYYLOGMGSA-N 454.619 2.317 30 10 JEEE C=CCN(CC=C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCN1CCN(C(C)=O)CC1 1740925815 NVJWGSOCEAWIFF-UHFFFAOYSA-N 465.602 2.490 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)[C@@H]1CC[C@@H](SCC)C1 1740956504 MIVVCSSFNRKOAL-RTBURBONSA-N 467.603 2.333 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(Cc2ccccc2OC)CC1 1740991354 UTIWSLWIJZSIJQ-QFIPXVFZSA-N 489.642 2.451 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1c1ccsc1 1740992158 MMQKJGLGJHPVKS-DLBZAZTESA-N 470.642 2.184 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1(S(C)(=O)=O)CCCC1 1748647590 QGYYDQVROJJUNV-INIZCTEOSA-N 492.671 2.362 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(S(C)(=O)=O)CCC1 1748672356 SLYNDSCDQRXQNC-IAGOWNOFSA-N 481.619 2.012 30 10 JEEE C#CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@]2(CNC(=O)C2)C1 1748718058 MVSHJEALLDOVEZ-KOSHJBKYSA-N 472.590 2.106 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1CCN1CCOC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1748809924 QXSGNOBOFMVFCL-WMZOPIPTSA-N 496.008 2.085 30 10 JEEE C#CCN(c1nnc(COCC)n1Cc1sccc1Br)[C@@H]1CCS(=O)(=O)C1 1748825042 VTHDXYIFBOSCLJ-CYBMUJFWSA-N 473.418 2.314 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CC(F)(F)C1 1748944863 HMHIWYOZKKHBJO-LJQANCHMSA-N 497.543 2.435 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCC2(C)C)n1 1748971306 LBOHOLXNKZQVJM-WOJBJXKFSA-N 488.658 2.489 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@]2(CCOC2)C1 1749670871 WAFWXMSMLXRTLA-MHECFPHRSA-N 474.606 2.312 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(C(=O)c2c(F)cccc2Cl)CC1 1749676703 ZZPWVKQUFQPZNV-UHFFFAOYSA-N 497.962 2.321 30 10 JEEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1749677895 ODOPMZDPONNMRY-DVECYGJZSA-N 455.559 2.242 30 10 JEEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCN(c2ncccc2F)CC1 1749678005 RZJYNQZBOYMYEC-UHFFFAOYSA-N 465.533 2.328 30 10 JEEE C#CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC[C@H](CNC(C)=O)C1 1760152380 KNESUFJYBGLVON-LJQANCHMSA-N 461.570 2.441 30 10 JEEE C#CCN(c1nnc(-c2ccccc2)n1CCCNc1ccccn1)[C@@H]1CCS(=O)(=O)C1 1760183481 BPONNZQYMATMMM-HXUWFJFHSA-N 450.568 2.469 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@H](C1CC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1760191086 AGOQLGWIUQZKOO-RBBKRZOGSA-N 471.627 2.132 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@H]1CCCN(C(C)=O)C1)[C@H]1CCS(=O)(=O)C1 1760191972 ORKNBTNHMJIRDZ-VXKWHMMOSA-N 499.637 2.051 30 10 JEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1CCc1ccncc1)[C@@H]1CCS(=O)(=O)C1 1760192858 YUWVSHIFTOHFGX-JOCHJYFZSA-N 479.606 2.336 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2C[C@@H]2CCCN2C(=O)OC(C)(C)C)n1 1760251714 FCFOVXAYTZAALY-FQEVSTJZSA-N 457.579 2.469 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2ccnc(C(F)(F)F)c2)CC1 1760256173 FIRSBTZBEBOZNP-MRXNPFEDSA-N 452.481 2.219 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1760264182 DYGYFGNWXJVUKG-ZHRRBRCNSA-N 480.396 2.459 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H]2CCCCO2)CC1 1760267432 LPGHALYTSPCMTN-FQEVSTJZSA-N 467.570 2.497 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3nn(CCC)c(=O)c4ccccc34)n2CC=C)CC1 1760268162 DKQIHPCTBTVCNB-UHFFFAOYSA-N 459.554 2.217 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2C[C@@H]2CCN(CC)C2)CC1 1760271131 NALPWXUGDPKQSX-OAQYLSRUSA-N 464.614 2.207 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3ccc4ccccc43)n2CCCNC(=O)C(C)C)CC1 1760271132 NCNVJMSUFCPSGB-UHFFFAOYSA-N 489.624 2.409 30 10 JEEE C=CCNC(=O)Cn1c(N2CCc3ccc(OCC)cc3C2)nnc1[C@]1(OCC)CCOC1 1760528348 ACGAKRBORUISCV-DEOSSOPVSA-N 455.559 2.194 30 10 JEEE CCN(CC)C(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1764869810 CDEDIVARCKCGCA-FQEVSTJZSA-N 472.615 2.479 30 10 JEEE CCOCc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CC1CCN(CCN(C)C)CC1 1767930342 CBEAVFQHQPVJSJ-UHFFFAOYSA-N 498.651 2.426 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CCc1nccnc1C 1771100049 FGFFZWTYKIPCRI-NRFANRHFSA-N 460.542 2.095 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1772660174 TUMNIWCQORQGBJ-UZLBHIALSA-N 462.572 2.178 30 10 JEEE COc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2CCCNC=O)cc1 1862569249 IPLOTOCCFVEOTH-OAQYLSRUSA-N 454.479 2.427 30 10 JEEE COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CCN2CCOCC2)cc1O 1862629776 DRKDSZPACRIBTH-JOCHJYFZSA-N 482.489 2.040 30 10 JEEE COC(=O)c1ccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2CCCNC=O)cc1 1862706681 CAFDMARUCBZUEY-HXUWFJFHSA-N 452.463 2.196 30 10 JEEE C=CCn1c(C(=O)N2CCN(c3ncccn3)CC2)cc2c(NCCCOCC)ncnc21 1875228251 HHMZZNBRKGRLJT-UHFFFAOYSA-N 450.547 2.208 30 10 JEEE CC(C)N1CCN(CC#CCOC2CCN(S(=O)(=O)c3cc(F)c(F)c(F)c3)CC2)CC1 1890495077 QTOXCACXLVZLAR-UHFFFAOYSA-N 473.561 2.303 30 10 JEEE CN1CCN(CC#CCOC2CCN(C(=O)c3ccc(-n4cnc5ccccc5c4=O)cc3)CC2)CC1 1890842292 KJMBLTUDHHRZLT-UHFFFAOYSA-N 499.615 2.258 30 10 JEEE CC1=C(B2OC(C)(C)C(C)(C)O2)CN(C(=O)[C@H](CCC(N)=O)NC(=O)OC(C)(C)C)CC1 2141247479 IMFIRJDVMNVRTI-INIZCTEOSA-N 451.373 2.325 30 10 JEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CC(=O)N2CCC[C@H](B3OC(C)(C)C(C)(C)O3)C2)C1 2180986662 GBHGMDJCPUCWOT-DLBZAZTESA-N 486.440 2.495 30 10 JEEE CC1(C)OB(c2n[nH]cc2C(=O)NC2CC3(C2)C[C@@H]3NC(=O)OCc2ccccc2)OC1(C)C 2255620072 VNXPYJXZJYRRFO-YBBVMAFNSA-N 466.347 2.286 30 10 JEEE CCN(C(=O)OC(C)(C)C)[C@@H](C)CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nn(C)c1C 2267146331 MONYJYRIBPCDOV-AWEZNQCLSA-N 450.389 2.403 30 10 JEEE Cn1nc(C(=O)NCC2(CNC(=O)OC(C)(C)C)CC2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2267500501 JZXWASFUKSMCLM-UHFFFAOYSA-N 468.791 2.407 30 10 JEEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CN(C(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)CCO1 2267552099 FEOSKWBVERREFA-ZBFHGGJFSA-N 450.341 2.333 30 10 JEEE C[C@@H](c1nscc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)[C@H](CCO)NC(=O)OC(C)(C)C 2268721586 NHUPZKJLGKPMRV-ZFWWWQNUSA-N 469.413 2.237 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2F)C1 2281791113 WYTFBZSMTYUMGQ-KDOFPFPSSA-N 464.343 2.083 30 10 JEEE Cc1c(C(=O)N2CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281803009 RLHNNHJCMZUQGJ-HOTGVXAUSA-N 462.400 2.403 30 10 JEEE Cn1cc(C(=O)N[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C23CCC3)c(B2OC(C)(C)C(C)(C)O2)n1 2281967501 YFPLZNKFNXYXHG-JKSUJKDBSA-N 460.384 2.285 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2COCC[C@H]2NC(=O)OC(C)(C)C)n1 2282042469 CKBQRFNZDYNRRS-IAGOWNOFSA-N 461.368 2.101 30 10 JEEE Cc1c(C(=O)N2CC3(CCN(C(=O)OC(C)(C)C)C3)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282054856 WFXYOIAKPPTNDR-UHFFFAOYSA-N 460.384 2.111 30 10 JEEE Cn1cc(C(=O)NC2C[C@@H]3CC[C@H](C2)N3C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2282061317 JMWTZANPDOFHEZ-MQVJKMGUSA-N 460.384 2.380 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O 2282129850 GMZHHYCDZJTAGS-MOPGFXCFSA-N 460.380 2.394 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@]12CC[C@@H]1CN(C(=O)OC(C)(C)C)C2 2282483649 AVBSUTKNUOYJJM-IQMFZBJNSA-N 460.384 2.096 30 10 JEEE CN(C[C@@H](O)COCc1ccccc1)S(=O)(=O)Cc1ccccc1B1OC(C)(C)C(C)(C)O1 2282510108 UPYNXKBYYSUHMX-OAQYLSRUSA-N 475.416 2.325 30 10 JEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC[C@@H](C)[C@H](NC(=O)C(F)(F)F)C1 2282831408 JVVYGCYKYBBHHV-DGCLKSJQSA-N 496.382 2.433 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C2(CCC2)C1 2283057496 ANZZVWFDFRVYBC-OAHLLOKOSA-N 458.368 2.438 30 10 JEEE CC(C)(C)OC(=O)N1CC(CO)(C(=O)N2CCc3sc(B4OC(C)(C)C(C)(C)O4)cc3C2)C1 2283967461 DBZKJYRPNIJWAH-UHFFFAOYSA-N 478.420 2.161 30 10 JEEE CO[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2284042075 RGJUQJFDLXDZJL-CVEARBPZSA-N 481.424 2.331 30 10 JEEE CCN1C(=O)[C@@]2(C(=C(O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCCOC)c2ccccc21 2296147214 MVQZQRVXTDJHAS-SANMLTNESA-N 478.501 2.437 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CS(=O)(=O)C[C@@H]1Oc1ncc(Cl)cc1B1OC(C)(C)C(C)(C)O1 2339440598 LKMLLQBVOMSFFW-GJZGRUSLSA-N 488.799 2.103 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2C[C@H](C1)N(C(=O)c1ncc(B3OC(C)(C)C(C)(C)O3)cn1)C2 2359278973 LVOKKWGDOZZGRC-HYVNUMGLSA-N 458.368 2.294 30 10 JEEE COc1ccc(NC(=O)CN(C)CCNC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2365286073 DYODXWNOWSMYDU-UHFFFAOYSA-N 463.384 2.389 30 10 JEEE Cc1ccc(NC(=O)CSc2nnc(N/N=C/c3cc([N+](=O)[O-])ccc3O)n2N)cc1C 20527399 XZDUYZVJLUXDKR-ZVBGSRNCSA-N 456.488 2.399 30 10 JEEE CCOC(=O)N1CCN(CN2C(=O)/C(=N\NC(=S)Nc3cccc(OC)c3)c3ccccc32)CC1 20685847 ZBQGSAJAASGHEH-QLYXXIJNSA-N 496.593 2.464 30 10 JEEE COC(=O)c1ccc(/C=N/Nc2nnc(SCC(=O)Nc3ccc(C)c(F)c3)n2N)cc1 20913568 ZKFZJGIQFHMJNK-AUEPDCJTSA-N 457.491 2.403 30 10 JEEE N#CCCN1CCN(c2ccc(C(=O)O)cc2NS(=O)(=O)c2cc(F)ccc2F)CC1 32961975 ZMKHDFAKXKTFFF-UHFFFAOYSA-N 450.467 2.499 30 10 JEEE CCN(CC)S(=O)(=O)c1ccc(N/N=C(/C#N)C(=O)NCCc2ccc(OC)c(OC)c2)cc1 34807655 DSMYFQIEJDGZOR-OOAXWGSJSA-N 487.582 2.385 30 10 JEEE C=CCOC(=O)C1=C(C)N=c2s/c(=C3/C(=O)N(C)c4ccccc43)c(=O)n2[C@H]1c1cccs1 35341537 HCANCDJJISBDSG-WOOAAIBNSA-N 477.567 2.373 30 10 JEEE CCc1nnc(CNC(=O)CSc2n[nH]c(N/N=C/c3cc(Br)ccc3OC)n2)o1 59880730 PCRBDYIBVHDUHS-IFRROFPPSA-N 495.363 2.376 30 10 JEEE COCCn1cc(/C=N/Nc2nc(SCC(=O)Nc3nnc(SC(C)C)s3)n[nH]2)cn1 59887439 XKRDRCBXNFZVKF-UBKPWBPPSA-N 482.621 2.176 30 10 JEEE C=CCOC(=O)C1=C(C)N=c2sc(=C3C(=O)N(C(C)=O)c4ccccc43)c(=O)n2[C@@H]1c1ccccc1 254745449 ULBUYIIWZFEBBU-JOCHJYFZSA-N 499.548 2.228 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)Nc3cc(S(=O)(=O)N4CCOCC4)ccc3Cl)cc2C1=O 641924957 BRYCMIVODXUKHY-UHFFFAOYSA-N 489.937 2.395 30 10 JEEE CC#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NO[C@H](COC)C(=O)O 757202811 VGGPSLWRUHRGJO-FCHUYYIVSA-N 466.490 2.455 30 10 JEEE N#Cc1ccc(CS(=O)(=O)CC(=O)Nc2c(C(=O)N3CCOCC3)oc3ccccc23)cc1 826779451 IWJSCOATDZCHNL-UHFFFAOYSA-N 467.503 2.330 30 10 JEEE CC(=NNc1nnc(SCC(=O)Nc2ccccc2[N+](=O)[O-])n1N)c1ccc2c(c1)OCO2 1084357525 QHUNTLAAPDDDQF-UHFFFAOYSA-N 470.471 2.196 30 10 JEEE N#Cc1ccccc1N1CCN(C(=O)CCS(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 1125623016 DYESZIVJQSCGHH-UHFFFAOYSA-N 455.536 2.232 30 10 JEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ccc(CCN2CCSCC2)cc1 1142638645 DRPRFIUDTAUFLK-QGZVFWFLSA-N 458.609 2.455 30 10 JEEE C=CCNS(=O)(=O)c1cccc(C(=O)N2C[C@@H](C(=O)OC)[C@H](c3ccc(F)cc3F)C2)c1 1142663327 JWPOLHCMZVJALR-RBUKOAKNSA-N 464.490 2.458 30 10 JEEE C=CCn1c(SCCC[C@H](C)O)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 1188292880 WRVNHPZYZRAKLW-INIZCTEOSA-N 452.602 2.405 30 10 JEEE C#Cc1cccc(NC(=O)NC(=O)CN2C[C@@H](C)O[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)c1 1197468935 QUIBBAJWRMXWHD-MZNJEOGPSA-N 456.543 2.416 30 10 JEEE C#CCN(c1nnc(C(C)C)n1CCN(C(=O)OC(C)(C)C)C1CC1)[C@H]1CCS(=O)(=O)C1 1286384340 HYWLYXLSFAUBRY-SFHVURJKSA-N 465.620 2.428 30 10 JEEE C#CCN(c1nnc(COc2ccccc2OC)n1C[C@@H]1CCO[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1286394231 HVORICCBESPNHI-XUVXKRRUSA-N 488.610 2.308 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCCO[C@H]2C(C)(C)C)CC1 1286490312 KIOZXVSMFODRMS-SVFBPWRDSA-N 470.618 2.036 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[C@H](OCC)C2CCCC2)CC1 1286490441 KXQZOFXWPKWBET-SFTDATJTSA-N 470.618 2.180 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC2([S@](C)=O)CC2)CC1 1286493214 SYBAUZPUFBPOCY-XIFFEERXSA-N 490.029 2.387 30 10 JEEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1286498773 AJKYEMPUGMDSNJ-LSDHHAIUSA-N 451.574 2.478 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCC(S(C)(=O)=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1286561345 CISAWODCHSJYKR-LEDOBFOHSA-N 482.647 2.313 30 10 JEEE C=CC[C@H](Cn1c(-c2cnccn2)nnc1N1CCN(CC(=O)N(C)C)CC1)c1ccccc1 1286678855 FZBSEVODZYQKOB-OAQYLSRUSA-N 460.586 2.305 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)C1CCCCC1 1286758850 WPSHZAOOWMPHLT-DENIHFKCSA-N 467.636 2.121 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1286782739 FAZCSVMDQVKFGS-IVZQSRNASA-N 461.950 2.294 30 10 JEEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCC(N(C)C(=O)OCC)CC1 1286791242 WALHEUSBNXVHOT-UHFFFAOYSA-N 454.575 2.423 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC[C@@H]2CCOC2)C1 1286803819 KCIODPNSTOQWQE-UYAOXDASSA-N 475.615 2.403 30 10 JEEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCCN(C(=O)c2ccc(Cl)cc2)CC1 1286816764 HWEXQXMEWWFJOW-UHFFFAOYSA-N 451.980 2.193 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1286823010 QQQJECRAJGYQNO-HXUWFJFHSA-N 478.663 2.194 30 10 JEEE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C(C)C)N2CCOCC2)C1 1286844378 FUBQDVCOPXNFPN-VWNXMTODSA-N 479.629 2.478 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CC[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 1288169059 CTFMRMRXSOQNMS-KSEOMHKRSA-N 465.602 2.446 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CCC(=O)NC(C)C 1292116400 AQLHJQKAAIYAPC-UHFFFAOYSA-N 498.607 2.449 30 10 JEEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCC=C(C)C)[C@H]1CCS(=O)(=O)C1 1300483589 MASZKAPPMMUGOF-IBGZPJMESA-N 476.624 2.332 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Cl)n1Cc1conc1COC)[C@H]1CCS(=O)(=O)C1 1300488597 SYUHZRUCCBEJDO-INIZCTEOSA-N 475.958 2.408 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H](C)Oc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1300503513 DBIHZRNMDPEGME-BBTUJRGHSA-N 474.583 2.232 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CC1(SC)CC1)[C@H]1CCS(=O)(=O)C1 1300504781 RZHXJYPHYWJNCH-SFHVURJKSA-N 471.608 2.251 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1300894909 JSDNQFDLDDFIOR-SXYSDOLCSA-N 482.647 2.387 30 10 JEEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 1300928661 LJVNJMCCYLNOCO-CABCVRRESA-N 482.010 2.368 30 10 JEEE C=C(C)COCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C(=O)NC)CC1 1300990638 MJUCXPSVIHVEQA-IBGZPJMESA-N 492.621 2.142 30 10 JEEE C=CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1301189319 UUKAXVZYWJTUCL-CEXWTWQISA-N 493.605 2.303 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1301481364 KSBIFDMGUXNRGR-QQMNAOGKSA-N 459.522 2.244 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1301587698 XPQJWGJFCLWDST-GBXCKJPGSA-N 474.627 2.438 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCSCC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1301596560 RYKPGDJAQULPEY-IYBDPMFKSA-N 471.649 2.203 30 10 JEEE C[C@@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCCC1(C)C 1304909064 CYGFGAFENMDFSR-OSPHWJPCSA-N 452.559 2.337 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCC(C#N)CC2)n1CC1CCN(CCN(C)C)CC1 1305738484 AVMCLMCFHVVGLT-UHFFFAOYSA-N 458.655 2.210 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCn1cc(Cl)cn1 1358877608 HSNWVZYVCHUZQQ-HNNXBMFYSA-N 461.979 2.203 30 10 JEEE C#CCN(c1nnc(COCC)n1C[C@H](C)c1nc(-c2ccccc2)no1)[C@H]1CCS(=O)(=O)C1 1358967550 MXXYOXDCJHIWDE-HKUYNNGSSA-N 484.582 2.295 30 10 JEEE C#CCN(CC#CC)c1nnc(Cc2cccnc2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1358996117 SKUOJZHRBYZNHT-UHFFFAOYSA-N 468.609 2.312 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@]2(O)CCSC2)CC1 1359042161 UXGYQHCBSDLOLO-JOCHJYFZSA-N 460.003 2.432 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@]2(O)CCSC2)CC1 1359042162 UXGYQHCBSDLOLO-QFIPXVFZSA-N 460.003 2.432 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CCC(=O)N2CCCCCC2)CC1 1359046356 OJYZPLZHQVLRRA-UHFFFAOYSA-N 477.613 2.022 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)CC(=O)Nc1ccc(C)cc1 1359090698 FGBBLRFUNAWNOR-OPYAIIAOSA-N 490.630 2.253 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N(C)C1CCC(NC(C)=O)CC1 1359103123 KHPRFYRJTWLRAH-LYCVCJOSSA-N 458.607 2.265 30 10 JEEE C=C(Cl)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1359143434 ZZUYZULLYQESHN-HNNXBMFYSA-N 476.940 2.237 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCN(C(=O)OC)CC1 1359306052 UPSGUOBELDBWAR-UHFFFAOYSA-N 464.979 2.414 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCN(c2sccc2C(=O)OC)C1=O 1478116708 GGSUDKXRYVQOTA-SFHVURJKSA-N 456.524 2.370 30 10 JEEE Cc1ccc(CC(=O)N2CCN(C(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC2)cc1 1478402484 AYRGDYNHLPSZIM-UXHICEINSA-N 455.559 2.150 30 10 JEEE CN(C)[C@H](Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCO[C@H](C#N)C1)C1CC1 1503381511 BZJTVTMPCBVGSA-WOJBJXKFSA-N 473.622 2.462 30 10 JEEE C#CCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1507587870 BFUQHLAYSCROIT-NQIIRXRSSA-N 473.599 2.312 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCOC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1507625875 BSOHEMQWSVLASL-JRGCBEDISA-N 453.568 2.116 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1CCCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1507626393 FOSGIKTUXQPKKQ-HXUWFJFHSA-N 487.626 2.075 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@@H](C)N(C)C1CC1)[C@@H]1CCS(=O)(=O)C1 1507635559 XEWGUOJWIACVNO-DYESRHJHSA-N 459.591 2.117 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1cccc(C(C)(C)O)c1)[C@H]1CCS(=O)(=O)C1 1507639092 JJCJCLFTUIPGMT-QFIPXVFZSA-N 496.637 2.042 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H]2CN(CC(C)C)CCO2)CC1 1507724489 QVBOKTSUNCODCY-QHCPKHFHSA-N 454.594 2.120 30 10 JEEE C#CCSCCn1c(COc2ccc(F)cc2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1507757664 XBGTZPHUDFNQQM-HSZRJFAPSA-N 486.573 2.177 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccccc2F)nnc1N1CCN(S(C)(=O)=O)CC1 1507803856 JGKOMOPOBYMBQF-WIYYLYMNSA-N 463.579 2.071 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1507804776 HURVUYIHOHPWBJ-SJHHWCTQSA-N 484.597 2.413 30 10 JEEE C=C(C)COCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1507840013 IHXHKXHEWOBYQV-GOSISDBHSA-N 462.572 2.322 30 10 JEEE Cc1cccc(O[C@H](C)c2nnc(N(C)C[C@H](C)C#N)n2C[C@@]2(O)CCS(=O)(=O)C2)c1C 1510369508 BEQTYYCOOQDLLK-LDJQZATESA-N 461.588 2.180 30 10 JEEE N#CC1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC2(O)CCS(=O)(=O)CC2)CC1 1521109467 BFDAPDCWGRHERS-UHFFFAOYSA-N 467.954 2.417 30 10 JEEE C#CCCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1539059498 QCIPXTZDIDPATD-IBGZPJMESA-N 454.552 2.147 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@](C)(O)[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1539213456 ZOMIHVPCOQIKFE-CEQIKUNHSA-N 466.007 2.417 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccc(OCCC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1539215554 FIFNMSJDRDTOBL-FQEVSTJZSA-N 498.609 2.151 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC2(O)CCC2)CC1 1539468037 AAXWIXODHQDVNR-KRWDZBQOSA-N 455.534 2.438 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N1CCCN(S(C)(=O)=O)CC1 1539642814 SNFDKRQITIGMRK-GCJKJVERSA-N 493.605 2.449 30 10 JEEE C=C(C)COCCn1c(-c2cccc(OC)c2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1539728046 BXGRRDPCYLRAEH-UHFFFAOYSA-N 463.604 2.407 30 10 JEEE CC(C)N(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1541607930 CRJSAOSGKLYEJJ-HXUWFJFHSA-N 466.590 2.109 30 10 JEEE CCS(=O)(=O)N(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1548325976 AHVINVSBYFSCDD-NRFANRHFSA-N 499.641 2.080 30 10 JEEE CNC(=O)[C@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CC12CCN(C(=O)CCOC)CC2 1548377751 XOAUYLYBLHUPPB-GOSISDBHSA-N 452.477 2.405 30 10 JEEE N#Cc1ccc(N2CCC3(CC2)C[C@@H](C(N)=O)N(C(=O)c2cnccn2)C3)cc1C(F)(F)F 1548380297 VDOSLCADAIWPAU-SFHVURJKSA-N 458.444 2.354 30 10 JEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@]2(C)CCN(C(=O)OCc3ccccc3)C2)cc1 1568460970 IZHFSSYJNOUOOW-HSZRJFAPSA-N 455.536 2.129 30 10 JEEE COc1ccc(S(=O)(=O)C[C@@H](C)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 1584787234 HMLZPEGZCTYKCY-IERDGZPVSA-N 455.536 2.288 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(O)CCN(C(C)C)CC1 1587580789 SAVVCNIBYAOAQB-GOSISDBHSA-N 459.616 2.042 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CC3)n2CC2CCN(CCN(C)C)CC2)c1 1587690065 YHAJGLPZEFOGJM-UHFFFAOYSA-N 463.630 2.485 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CC[C@@H](F)C1)[C@H]1CCS(=O)(=O)C1 1588035897 ZHXRCNDOZCOUTP-IWQHBPENSA-N 468.595 2.084 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H](C)CN1CCN(CC)CC1 1588113083 GJFHWNGEMBXFON-OAQYLSRUSA-N 462.598 2.063 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCOC[C@@H]1C 1588473686 RKLYTZAFTBKVTP-LNLFQRSKSA-N 463.579 2.340 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCc2nccnc2C)CC1 1588898929 IBALTHYZBLICKB-UHFFFAOYSA-N 474.525 2.160 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(N(C)C)CCSC2)CC1 1588908871 XUTCRCDHBRPOJF-RUZDIDTESA-N 477.638 2.220 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC)n2Cc2cc(OC)c(OCC)c(OC)c2)CC1 1588947770 WJCNJGUNWNXCIU-UHFFFAOYSA-N 455.559 2.271 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](O)(c2ccccc2F)C1 1593746666 KQCLKEPZGUKHKZ-HTAPYJJXSA-N 464.563 2.010 30 10 JEEE C=CC[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CCOC)C(=O)C1)c1ccccc1 1594535022 PILOPYOABBTXRW-NRFANRHFSA-N 466.586 2.169 30 10 JEEE C=CCCOCCn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1594812572 HQAFTPONKXTCLK-RBUKOAKNSA-N 453.609 2.117 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN(CC)C(=O)OC(C)(C)C)C1CC1 1595058481 NJMQYRRFWAZXHQ-SFHVURJKSA-N 498.650 2.023 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCO[C@@H](CC)C1 1595545244 STRMVSYGGHJRSG-MSOLQXFVSA-N 462.595 2.310 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCN(Cc2cscn2)CC1 1595555565 COCIJDSQALYBNT-UHFFFAOYSA-N 455.563 2.089 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1595765622 FCCZIHCFEPPIPO-PBHICJAKSA-N 456.515 2.354 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)c1ccccc1F 1611307765 GQWPVHVGNCREQR-LPHOPBHVSA-N 478.594 2.466 30 10 JEEE Cc1nn(C)c(N2CCN(c3nnc(CC(C)C)n3CCCN3C[C@H](C)O[C@@H](C)C3)CC2)c1C#N 1612471961 BQTFLSHGRNZOJV-PMACEKPBSA-N 483.665 2.216 30 10 JEEE CN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCN(CC(F)(F)F)C1 1618347131 GWCQLDGXLZTPEN-INIZCTEOSA-N 470.521 2.182 30 10 JEEE COC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(Cc2cscn2)CC1)OC 1619595812 BKOONCBJCPHFJF-FQEVSTJZSA-N 453.572 2.257 30 10 JEEE C=C(C)c1cccc(NC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c2ccc3c(c2)OCCO3)c1 1648439168 REPJJRWMEWGMLZ-SFHVURJKSA-N 459.524 2.042 30 10 JEEE CCC(O)(CC)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1649574939 ARFKCGYTYAWKIG-UHFFFAOYSA-N 465.602 2.259 30 10 JEEE N#CCc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)cc1 1654710667 ATQFSUZRNLDZAP-UHFFFAOYSA-N 457.936 2.240 30 10 JEEE C#CCN([C@H]1CCOc2ccc(Br)cc21)S(=O)(=O)CCCN1CCOCC1 1662170590 JCISPKKAYSFHOI-SFHVURJKSA-N 457.390 2.260 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CCCNC(=O)OC(C)(C)C)c1 1689868563 KJUXSVSTBRNDFS-UHFFFAOYSA-N 497.600 2.387 30 10 JEEE C#CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1689919703 XWZKAUBBCNAYTQ-UHFFFAOYSA-N 484.004 2.347 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)o2)n1Cc1ccc(NC(N)=O)cc1)[C@H]1CCS(=O)(=O)C1 1689984420 OXAXVKSDTASQRJ-SFHVURJKSA-N 468.539 2.012 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1nnc(C)s1 1690049036 XBTXWFRCZCGDSF-QGZVFWFLSA-N 471.587 2.258 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2C[C@]2(N(C)C)CCSC2)CC1 1690140048 KATDVFXHLZJRRS-XMMPIXPASA-N 452.628 2.348 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(CC(=O)NCC)CC1 1690254892 KBQZQRRFZUXBJI-YXPKMTABSA-N 488.677 2.436 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cccc(OCC)c2)CC1 1690375684 QXWRSOZFBWAFOD-FQEVSTJZSA-N 461.588 2.214 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](c2cc3ccccc3[nH]2)C1 1690661158 WCZSJKPYCRVAFD-AEFFLSMTSA-N 485.614 2.056 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@H](C(=O)OC)C1 1690663029 JVESLDWVOFUMRB-ZDUSSCGKSA-N 478.347 2.018 30 10 JEEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N(C)Cc1ccccc1C(F)(F)F 1690674906 JTJWTFCMMHNGNN-UHFFFAOYSA-N 450.465 2.358 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC(S(=O)(=O)CC)CC2)nnc1C1(c2ccccc2)CCC1 1690676841 GHVDOMRBNWLPDB-UHFFFAOYSA-N 471.627 2.454 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@]2(C)COCCO2)C1 1690700037 MUPZHKYOTLJRMN-IMWIBFENSA-N 493.605 2.173 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCCN(C(=O)c2cccc(F)c2)CC1 1690715129 DPINETGRPSNQNC-UHFFFAOYSA-N 463.579 2.494 30 10 JEEE C[C@]1(C#N)CCCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1692842073 AEUYSKYNLIUVLQ-UXHICEINSA-N 467.954 2.417 30 10 JEEE CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCN2S(C)(=O)=O)C[C@@H](C)O1 1694930811 DZTYPNVMGFFPKT-NSISKUIASA-N 458.588 2.244 30 10 JEEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCNC(=O)C(C)C 1705534465 IZUYQWNWVGDXQN-GOSISDBHSA-N 462.595 2.208 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCO[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1705569153 CUDKFRLXSLJNCV-KVSKMBFKSA-N 463.629 2.076 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@](C)(O)c2cc(C)oc2C)CC1 1705650715 YCHJRIISNJAAOR-SANMLTNESA-N 476.581 2.347 30 10 JEEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(S(=O)(=O)c2ccccc2)CC1 1705747362 LFNGPCHYQILYCD-OAHLLOKOSA-N 488.035 2.084 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCN2CCOCC2(C)C)C1 1705916783 NKIVFIUGXDYPNO-RDPSFJRHSA-N 463.623 2.211 30 10 JEEE CC(=O)NC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCc2cccc(C)n2)CCO1 1706054437 BSVISBKBXHLASB-HSZRJFAPSA-N 475.553 2.016 30 10 JEEE CN(C)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1)c1ccc(F)cc1 1710996275 CTJJGMRMMLQCQH-YRISNDGFSA-N 464.542 2.064 30 10 JEEE CN(C)[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CC[C@](F)(C#N)C1)c1c(F)cccc1F 1710997797 GEXPIXUHMJTZDE-JTSKRJEESA-N 461.492 2.424 30 10 JEEE C#CCCCCn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1722316617 GNGNXLXLEBNLAO-UHFFFAOYSA-N 462.598 2.252 30 10 JEEE C#CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1722322234 PSJZVMZRIZMEHM-UHFFFAOYSA-N 465.602 2.207 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CC(C)(C)OCC)[C@@H]1CCS(=O)(=O)C1 1722361252 GCIBJQBAMFLRAI-MRXNPFEDSA-N 451.980 2.435 30 10 JEEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1C[C@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1722403383 ZIQVWUKJEYJVLL-GBESFXJTSA-N 495.584 2.409 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCOc2cccc(Cl)c2)CC1 1722431054 FEKDEZMBYKCLPP-UHFFFAOYSA-N 465.945 2.413 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CCc2cccc(C(=O)N(C)C)c2)CC1 1722447160 IFIARVHXSXOGLA-UHFFFAOYSA-N 464.614 2.387 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2COc3ccccc3O2)n1CCCN(CC)S(C)(=O)=O 1722472290 BOPIZVKEPKUEEH-NFBKMPQASA-N 473.599 2.454 30 10 JEEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1722493823 KHPHAKCHKLCTKR-OAHLLOKOSA-N 462.414 2.289 30 10 JEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCNC(=O)c2ccc(C)c(F)c2)CC1 1722575082 WZDGPMLSDJHGDV-MRXNPFEDSA-N 478.594 2.168 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1722694629 CECGXVLKCMYZQC-QGZVFWFLSA-N 470.574 2.006 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(CC(C)C)C(=O)C1 1722729132 GGTUSNRDVUKERE-UHFFFAOYSA-N 480.034 2.428 30 10 JEEE CCS(=O)(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCOC[C@@H]2C)CC1 1729216129 GOAUAMXNLRQSJA-PXNSSMCTSA-N 472.615 2.397 30 10 JEEE CN(C)C(=O)CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1729300450 FBFMFXPDFRFEHE-OAQYLSRUSA-N 482.610 2.214 30 10 JEEE CN(C)S(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](C[C@@H]2CCOC2)C1 1729342227 DIJZNXCYNSIHLF-UXHICEINSA-N 472.615 2.351 30 10 JEEE N#C[C@]1(F)CCN(c2nnc(-c3cccc(Br)c3)n2CCC(=O)N2CCOCC2)C1 1731178002 BRMAWNVAXOORPS-HXUWFJFHSA-N 477.338 2.398 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1([S@](C)=O)CCC1 1740539304 SOXKWVQMACVUCC-QLCIJSRNSA-N 462.645 2.306 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CCCOC1CCCC1)[C@@H]1CCS(=O)(=O)C1 1740625162 MTNSVQXMLQLRSZ-HXUWFJFHSA-N 457.600 2.240 30 10 JEEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1C[C@@](C)(O)C1CC1)[C@H]1CCS(=O)(=O)C1 1740627531 IESYGGXIQHKTSC-GBXCKJPGSA-N 472.611 2.262 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(C)nc3ccccc23)n1CCN/C(O)=C1\N=CC=CC1=O 1740632975 RRMXOMCPLSYHNZ-WJTDDFOZSA-N 465.517 2.401 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCc2ccc(OC)cc2)CC1 1740703294 MUZHPACCZNFLMX-AREMUKBSSA-N 481.597 2.147 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(N2CCNC(=O)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740768176 UIZMBIGLCVIXGA-PNYFIKQUSA-N 474.606 2.356 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCOC)Cc1ccccc1 1740810337 BVUPZHUDNKBXMV-SFHVURJKSA-N 469.995 2.017 30 10 JEEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1740842695 JALMAPXIPYDAPA-GOSISDBHSA-N 464.636 2.121 30 10 JEEE C=CCC(C)(C)Cn1c(Cc2ccncc2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1740849292 DYHRMKLMIWHGAA-UHFFFAOYSA-N 498.657 2.419 30 10 JEEE C=CCCCn1c(COc2ccc(OC)cc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1740880556 YOEZYSLHNSVIEM-UHFFFAOYSA-N 454.531 2.353 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)CC1COC(C)(C)OC1 1740953341 CJLAZYDSARMUIU-UHFFFAOYSA-N 467.368 2.173 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[C@H](C(=O)OC)C1 1740989905 BKPHRGXNVDMWJH-SFHVURJKSA-N 484.582 2.121 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@H](C(C)C)C1 1740990415 UHBWZBBRMQBQDL-QGZVFWFLSA-N 470.599 2.275 30 10 JEEE CC(=O)NC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(C)CCCS2)CCO1 1741110834 HBHZCIOLMBEDJA-NZQKXSOJSA-N 470.599 2.356 30 10 JEEE CC(C)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCC[C@H]2C(=O)N(C)C)CC1 1741629409 HDZRAHLGGFCZGP-QHCPKHFHSA-N 478.645 2.290 30 10 JEEE CNS(=O)(=O)CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(C#N)CC1 1748290813 GKVWJWKTMCKWAT-AWEZNQCLSA-N 452.968 2.361 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(NC(C)=O)nc1 1748671899 OAZDCDDOQLEVCG-APWZRJJASA-N 483.573 2.446 30 10 JEEE C#CCCCCn1c(N2CCCN(CC(=O)N3CCCC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1748731243 YAZAEPYTQVRYHE-SANMLTNESA-N 486.661 2.257 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1CCOc1ccccc1C)[C@@H]1CCS(=O)(=O)C1 1748811819 LWDUMHGVNGISEW-LJQANCHMSA-N 451.552 2.354 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@@H](C)N2CCOCC2)CC1 1748978994 SQSAKSIOROUUHW-QGZVFWFLSA-N 491.409 2.323 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)N(C)CC 1749068301 HUZIJPGKZJKBCC-UZUQRXQVSA-N 460.579 2.057 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CCCCO3)n2Cc2ccc(C(=O)NCC(N)=O)cc2)CC1 1749341654 LJWLMQBMRBUWSK-HXUWFJFHSA-N 452.559 2.186 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 1749730664 MIUQQSQUSHWOHL-QGZVFWFLSA-N 462.620 2.251 30 10 JEEE C=CCSCCn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1749745692 DWCSAJHEZOYNIA-UHFFFAOYSA-N 475.018 2.445 30 10 JEEE CC(=O)N1CCC(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)C[C@@H]2CCN(C(C)=O)C2)CC1 1749811718 CBHQFSYDJOPBIB-QHCPKHFHSA-N 493.612 2.292 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1C[C@H](F)CN1Cc1cccs1 1760116659 IVLNITLNVFQPGQ-BDXSIMOUSA-N 465.620 2.312 30 10 JEEE C#CCCCn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1760156894 WXGVBRPBKRZLAX-HSZRJFAPSA-N 464.614 2.228 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CCCSC1)[C@H]1CCS(=O)(=O)C1 1760181128 QAYDOUYFGDLBSY-DXIQSLLYSA-N 482.672 2.089 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1760183135 MVUGKCNCPSBKSF-OALUTQOASA-N 459.528 2.049 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCCOC[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1760185127 QDTNJMRTBYWJTL-YADHBBJMSA-N 483.594 2.029 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1CC(C)(C)c1ccccn1)[C@H]1CCS(=O)(=O)C1 1760186960 BMEPKJCOETVUGX-IBGZPJMESA-N 450.568 2.340 30 10 JEEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CC2=CCN(C(=O)OC(C)(C)C)CC2)CC1 1760258568 ZDRUTKDHKJLABC-UHFFFAOYSA-N 466.590 2.001 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@H](C)Oc2ccccc2C)CC1 1760268696 ONGKQAPYLYVXQX-IBGZPJMESA-N 459.554 2.477 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](C)Oc2ccccc2OC)CC1 1760269112 YLFOQGJLFWNVGI-SFHVURJKSA-N 477.569 2.121 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2Cc2cccc(OCC(=O)N(C)C)c2)CC1 1760269541 KXYMCKCWGSODGV-UHFFFAOYSA-N 478.597 2.027 30 10 JEEE C#CCSCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1760278690 DBXBGQVXYXXVFX-UHFFFAOYSA-N 499.666 2.405 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccc(C(N)=O)nc1 1760330472 DSCOFONAJHGDNI-UHFFFAOYSA-N 454.556 2.293 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1sc(C)nc1C 1760337028 MCAOPCXOVBNFLW-QGZVFWFLSA-N 468.649 2.329 30 10 JEEE C=CC1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1760398766 LTSKJFTXYFTRIR-HXOBKFHXSA-N 475.615 2.138 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1760523475 ZMXALJZAUMCQQY-DLBZAZTESA-N 472.594 2.110 30 10 JEEE CC(=O)N1CCN([C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CC(F)(F)F)C[C@H]2C)CC1 1760621244 FPZBCRJLLSMMLF-BEFAXECRSA-N 461.492 2.368 30 10 JEEE CC[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(C#N)cc1)N1CCCC1 1762323976 FLTNNWGSSCRJOJ-PXNSSMCTSA-N 459.620 2.271 30 10 JEEE CCN1CCN(S(=O)(=O)c2ccc(OCC(=O)Nc3sc4c(c3C#N)CCC4)cc2)CC1 1872720379 AEUQSENHQUXKRQ-UHFFFAOYSA-N 474.608 2.452 30 10 JEEE COc1cccc(/C=N/n2c(CNC(C)=O)nnc2SCC(=O)N[C@@H](C)c2ccccc2)c1O 1874435948 FXPXDDUZPUVKPY-FCUAXUHVSA-N 482.566 2.480 30 10 JEEE C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1(O)C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 2068519035 CEXZYZIDAIXGPP-LPQMJJIASA-N 451.564 2.312 30 10 JEEE CC1(C)OB(c2n[nH]cc2C(=O)N[C@@H]2CCCN(C(=O)OCc3ccccc3)C2)OC1(C)C 2247819823 KHGURAVICJATIT-QGZVFWFLSA-N 454.336 2.240 30 10 JEEE C=C(CS(=O)(=O)N1CCCO[C@@H](CNC(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2255801803 QLCFVUJNSJMVHZ-INIZCTEOSA-N 460.402 2.119 30 10 JEEE CC1(C)OB(c2occc2C(=O)NC[C@@H]2CN(C(=O)OCc3ccccc3)CCO2)OC1(C)C 2255845487 JSYHOZMMOSDVCS-GOSISDBHSA-N 470.331 2.346 30 10 JEEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@H]2CCN(Cc3ccccc3)C2)OC1(C)C 2255930837 BBLREJSSOYMESL-KRWDZBQOSA-N 463.434 2.136 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)NCc2sccc2B2OC(C)(C)C(C)(C)O2)C1 2256741050 DMYTYOAWMAPVGA-NRFANRHFSA-N 452.382 2.035 30 10 JEEE Cc1cc(C(=O)NCCN(C[C@@H](C)O)C(=O)OC(C)(C)C)oc1B1OC(C)(C)C(C)(C)O1 2267518407 BEJYVOVLKOYAQD-OAHLLOKOSA-N 452.357 2.235 30 10 JEEE CC(C)(C)OC(=O)NCCN1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)CC1 2267526253 PCHFYFBLGGMXBI-UHFFFAOYSA-N 465.425 2.330 30 10 JEEE C=C(CS(=O)(=O)NC[C@@H]1C[C@@H]2OCC[C@@H]2N1C(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2267726490 BLQFKQREUCJQNL-ULQDDVLXSA-N 472.413 2.260 30 10 JEEE C[C@@H](CCNC(=O)OC(C)(C)C)CCNC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2268690914 QQHKBFDGESAUMV-OAHLLOKOSA-N 450.389 2.390 30 10 JEEE Cn1ncc(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 2282035867 APWPAPUFAAMUDF-HLLBOEOZSA-N 460.384 2.095 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)[C@@H](NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C2 2282061706 OKKBCXVIBXMDOR-ZOBUZTSGSA-N 460.384 2.474 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@@H]1COCCN1Cc1ccccc1 2282110318 OBUHZXPHKZZYAJ-OAQYLSRUSA-N 453.392 2.438 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2COCCN(C(=O)OC(C)(C)C)C2)n1 2282551089 AXJWZOXLGYBHCU-MRXNPFEDSA-N 461.368 2.055 30 10 JEEE CC(C)(C)OC(=O)N1[C@H](CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)C[C@H]2COC[C@H]21 2282630645 LLYFGCMBLDFUSR-HRCADAONSA-N 462.352 2.333 30 10 JEEE CC1(C)OB(c2ccc(C(=O)N3C[C@H](CNC(=O)C(F)(F)F)C4(CCC4)C3)o2)OC1(C)C 2282633832 DFQVSRCUNPWQNP-ZDUSSCGKSA-N 456.270 2.500 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1CNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282832424 OVLJFRJDXISWET-DZKIICNBSA-N 499.464 2.117 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2CN(C(=O)c3nccnc3B3OC(C)(C)C(C)(C)O3)C[C@H]21 2283063780 XJUJJZDEORRMNW-BZUAXINKSA-N 458.368 2.151 30 10 JEEE Cc1c(C(=O)N2C[C@@H]3C[C@]3(CNC(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2288263021 MWFFULZHTYZKAZ-WNSKOXEYSA-N 460.384 2.015 30 10 JEEE COC[C@H]1C[C@H](CNC(=O)OC(C)(C)C)N(C(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)C1 2289597599 TWERPMIGZQBQIC-LSDHHAIUSA-N 481.424 2.444 30 10 JEEE CC(C)(C)OC(=O)NC[C@H](O)C(=O)NCc1sc(Cl)cc1B1OC(C)(C)C(C)(C)O1 2303778161 IIXDFHBAKKQACU-LBPRGKRZSA-N 460.789 2.203 30 10 JEEE CCOc1cc(C=NNc2cnn([C@H]3CCS(=O)(=O)C3)c(=O)c2Br)ccc1OC 2322660047 ZIIZBHBGLVEMEU-ZDUSSCGKSA-N 485.360 2.219 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1[C@@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)[C@H]2CCC[C@H]21 2334388774 LKZVWQNMTJGPSK-CRWXNKLISA-N 464.397 2.137 30 10 JEEE COc1[nH]c(=N[C@H]2CCOC[C@H]2NC(=O)OCc2ccccc2)ccc1B1OC(C)(C)C(C)(C)O1 2339788088 KECVZBFJKIWWBR-VQTJNVASSA-N 483.374 2.307 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@H]2C[C@@H](NC(=O)c3ccoc3B3OC(C)(C)C(C)(C)O3)C[C@@H]21 2368867411 UODIAGLLYGSIOX-BHYGNILZSA-N 462.352 2.476 30 10 JEEE C[C@](C#N)(NC(=O)COC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)C1CC1 11243708 JHUYUNUERHDEON-HXUWFJFHSA-N 453.948 2.092 30 10 JEEE CCOC(=O)NC(=O)CSc1nnc(N/N=C/c2c(C)nn(-c3ccccc3)c2N(C)C)[nH]1 253565406 HRVSMIGNQMBHLX-SRZZPIQSSA-N 471.547 2.176 30 10 JEEE C=CCN(C(=O)CCc1c(C)nc2c(C(N)=O)cnn2c1C)c1nc(C(=O)OCC)cs1 501952011 PVTBEFDRELPNFR-UHFFFAOYSA-N 456.528 2.230 30 10 JEEE CCCCOc1ccc(C=NOCC(=O)N2CCCC[C@@H]2C(=O)N2CCOCC2)cc1OC 729369059 QODGGHDJNZPURF-HXUWFJFHSA-N 461.559 2.465 30 10 JEEE CC#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](CN(C)C)C(=O)O 757214614 WDKGJBVVQKWTBW-XZOQPEGZSA-N 463.534 2.438 30 10 JEEE Cc1ccc(C=NNc2nc(SCCC(=O)Nc3ccc(S(N)(=O)=O)cc3)n[nH]2)cc1 1084356239 CGGDCDNLQLLGMY-UHFFFAOYSA-N 459.557 2.327 30 10 JEEE O=C(CCSc1n[nH]c(NN=Cc2ccccc2[N+](=O)[O-])n1)Nc1ccc2c(c1)C(=O)NC2=O 1084480031 USOOHTPTJBXWCX-UHFFFAOYSA-N 480.466 2.163 30 10 JEEE CC(=O)c1ccc(S(=O)(=O)NCc2ccc(C(=O)N3CCN(CCC#N)CC3)cc2)cc1 1171874362 BBOLTPJYDJSYOU-UHFFFAOYSA-N 454.552 2.039 30 10 JEEE C#CCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1286344608 CANWOCUUKMVTHB-AZUAARDMSA-N 467.570 2.497 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccccc1CN1CCC(O)CC1 1286398446 YFUAUARUGIBWQN-UHFFFAOYSA-N 483.576 2.003 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(F)cc2Br)n1C[C@]1(O)CCOC1 1286462985 CUTJAAKFDLOCCF-LJQANCHMSA-N 453.312 2.084 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2ccco2)C1 1286546173 GYARSAXKIKUYKA-ISARSNTHSA-N 465.576 2.040 30 10 JEEE C=C(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1286584366 AUUWNAWNUZLDTJ-GOSISDBHSA-N 457.966 2.478 30 10 JEEE C=C(C)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCC(OCC(N)=O)CC1 1286592281 WCOSNKOQWOZIHN-UHFFFAOYSA-N 465.558 2.112 30 10 JEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccccc2-c2cnn(C)c2)CC1 1286638008 RQRSJZZUYUOPEH-KRWDZBQOSA-N 455.588 2.494 30 10 JEEE C=CCN(CC=C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@]1(C)CN(C)C1=O 1286753456 CPKGRTVJXWYOFA-QFIPXVFZSA-N 457.604 2.203 30 10 JEEE C=CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1CC(=O)NCC(F)(F)F 1286764820 AUNHGLMYFIFXTN-UHFFFAOYSA-N 479.301 2.363 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1286778886 BLXQJBHQBNLTGE-FXAWDEMLSA-N 490.555 2.396 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)OCCOC)nnc1N1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1 1286779341 IREYBLMFRISLSG-FHWLQOOXSA-N 492.621 2.140 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](Cc2ccc(C#N)cc2)C1 1286819864 YEEVWXPECQDMQW-RTWAWAEBSA-N 482.610 2.161 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCC1(O)CCOCC1 1286958629 ANASMHPJWVDQNN-INIZCTEOSA-N 460.966 2.389 30 10 JEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccccc2CC1 1300365413 WPUNGGRDYJFQFN-OAQYLSRUSA-N 457.600 2.020 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1cccnc1OCC)[C@@H]1CCS(=O)(=O)C1 1300483288 KJEBLKFOCFKWHH-HXUWFJFHSA-N 496.549 2.322 30 10 JEEE C#CCN(c1nnc(-c2ccccc2F)n1CCCOC[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 1300486811 BNDYTQIWFKVEGX-OALUTQOASA-N 476.574 2.297 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1oc(CCC)nc1C)[C@H]1CCS(=O)(=O)C1 1300495528 IGYZGSDWHBLNFU-ROUUACIJSA-N 461.588 2.444 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H](C1CCCCC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1300497440 BOGMWGKGUOVTGS-GOTSBHOMSA-N 484.670 2.401 30 10 JEEE C#CCN(c1nnc(COCC)n1CCc1ccc(F)cc1Cl)[C@@H]1CCS(=O)(=O)C1 1300503907 HEJUYVWMQHFOLX-QGZVFWFLSA-N 454.955 2.477 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(F)cc2Br)n1C[C@@]1(O)CCO[C@@H]1C 1300655183 RBZGTYPOWHLJKZ-VLIAUNLRSA-N 467.339 2.473 30 10 JEEE C#CCSCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1300740852 GAEQOKOBANMODY-MRXNPFEDSA-N 486.573 2.444 30 10 JEEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1301188447 JTXNRMOGHVKKIT-HUUCEWRRSA-N 463.526 2.041 30 10 JEEE C=CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1301207152 RHOTTXMENBBRHS-KRWDZBQOSA-N 456.547 2.493 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc(Cc2cccnc2)n1CC1(O)CCS(=O)(=O)CC1 1301349068 JXKZSDRQWFXTDZ-UHFFFAOYSA-N 467.595 2.396 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1CCN(c2ccncc2)CC1 1301967858 HSVYKRAONMMAAF-PKOBYXMFSA-N 457.604 2.088 30 10 JEEE N#Cc1cccc(-c2nnc(N3CCC[C@@H](C(F)(F)F)C3)n2C[C@@]2(O)CCS(=O)(=O)C2)c1 1302985918 DAEYHEHHSUKBKQ-APWZRJJASA-N 469.489 2.145 30 10 JEEE Cn1ccnc1COc1ccc(CN2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 1307571105 BCDIUCVUPZEDBY-UHFFFAOYSA-N 451.552 2.377 30 10 JEEE CCN(C)C(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1313556995 AOTLUEWODRDSTJ-IBGZPJMESA-N 489.584 2.021 30 10 JEEE CCNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[S@@](=O)C(C)(C)C)CC1 1313995859 HLGQNYCYMRIBFG-JGCGQSQUSA-N 457.604 2.215 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H](F)COC)CC1 1359035329 QWEPKTLHNARQCP-OALUTQOASA-N 464.586 2.132 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1359103757 SCLVLCCTTFXGCJ-PBEJRMEISA-N 475.977 2.443 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](c2ccccc2OC)C1 1359122047 UUPDFNNUSMVDFI-YLJYHZDGSA-N 461.588 2.190 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCOc2ncccc2Cl)C1 1359321804 LZAWAGFRTXBNGR-CVEARBPZSA-N 467.979 2.089 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1 1359557128 DAGAVWYKLYVDSJ-WHSLLNHNSA-N 482.582 2.022 30 10 JEEE Cc1cccc(-c2nnc(N3CCN(c4cc(C#N)ccn4)CC3)n2CCCC(=O)N(C)C)n1 1492517789 GCTCAYBTZTYYDM-UHFFFAOYSA-N 459.558 2.110 30 10 JEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)c2ccsc2)CC1 1507591637 MJOKPPNMCLQZMP-QGZVFWFLSA-N 461.613 2.054 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1C[C@H]1CCCCS1(=O)=O)[C@@H]1CCS(=O)(=O)C1 1507626055 CMGKDPQXXAIVEK-NHCUHLMSSA-N 490.651 2.102 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@H](C)Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 1507629076 ZPJOLYFDALQTRL-PWHSHALESA-N 492.667 2.497 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(F)ccc2Br)n1CCN1CCCS1(=O)=O 1507662111 OLFUQZLPNDRMQR-UHFFFAOYSA-N 494.390 2.345 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2CC2CCN(CCN(C)C)CC2)CC1 1507731932 FNYMAPMITAEJKE-UHFFFAOYSA-N 483.636 2.025 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc4ccccc4o3)n2C[C@H](COC)OC)CC1 1507733916 DCSOLGKRRRLULF-LJQANCHMSA-N 451.527 2.319 30 10 JEEE C=C(Cn1c([C@H](C)OCCOC)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1)c1ccccc1 1507856538 ZZAUIJHKLKAFCS-GMAHTHKFSA-N 482.629 2.458 30 10 JEEE C=CCCOCCn1c(-c2ccc3ccccc3n2)nnc1N1CCN(CC(=O)N(C)C)CC1 1507958722 BZQIPTKAPIBVQJ-UHFFFAOYSA-N 463.586 2.296 30 10 JEEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C(C)C)C1 1507964339 BCNQPALWOJIIII-OALUTQOASA-N 455.625 2.076 30 10 JEEE C=CCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCN(CC(=O)NCCOC)CC1 1508051201 IPIYCFUXSDNQEP-UHFFFAOYSA-N 477.613 2.423 30 10 JEEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1508093943 DXBQJEWICHPPHS-UHFFFAOYSA-N 454.575 2.423 30 10 JEEE C=CCOc1ccc(Cn2c(-c3cnccn3)nnc2N(CC)[C@H]2CCS(=O)(=O)C2)cc1 1508100111 DPSKADRQBRTPGO-SFHVURJKSA-N 454.556 2.362 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1508107013 XEAZOCQPOXHHTP-RTWAWAEBSA-N 455.559 2.414 30 10 JEEE CCO[C@]1(c2nnc(N(C)Cc3cccc(C#N)c3)n2C[C@@H]2CCOC[C@@H]2OC)CCOC1 1516140822 DQHLAEKLGWZINH-AWRGLXIESA-N 455.559 2.490 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1CCCN1CCC[C@H]1C(=O)N(C)C 1538974117 RZRHDQPQXMFSCA-WMZOPIPTSA-N 490.450 2.447 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2CCNC(=O)c2ccco2)c1 1539043006 MHQWPLQGUWHJIT-IBGZPJMESA-N 476.537 2.251 30 10 JEEE C#CCN(c1nnc(-c2ccccc2)n1Cc1csc(COC)n1)[C@H]1CCS(=O)(=O)C1 1539211962 QKJPYDMFURPSOM-SFHVURJKSA-N 457.581 2.223 30 10 JEEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1539237268 BSOZZABBKPWJBZ-HFZDXXHNSA-N 478.597 2.060 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H](C)CN1CCCC1 1539261108 XVQYZRUQGLFXBG-HXUWFJFHSA-N 457.582 2.480 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2[C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 1539477595 RXKCNZDGJIWLNM-BBWFWOEESA-N 466.508 2.489 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2CC2CCN(C(C)=O)CC2)CC1 1539484406 NZGNUOOOCBVKJR-UHFFFAOYSA-N 476.625 2.288 30 10 JEEE C#CCSCCn1c(COc2ccccc2OC)nnc1N1CCC(N2CCNC2=O)CC1 1539525992 AVKHAKOBQVYNKT-UHFFFAOYSA-N 470.599 2.226 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)c[nH]2)n1CCCNS(=O)(=O)CC 1539541369 FXZCBBUEQGXVPA-GOSISDBHSA-N 469.409 2.357 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCN(c2ncc(F)cn2)CC1 1539617089 UKZHSKYIGNMIOF-HBFSDRIKSA-N 475.569 2.239 30 10 JEEE C=C(C)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1539686368 QZZDJUQLZKTUPP-MRXNPFEDSA-N 466.633 2.136 30 10 JEEE C=C(C)COCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1539721703 DMLBZVPROFLYCM-INIZCTEOSA-N 460.966 2.121 30 10 JEEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1539902480 IFYRBRQFRHALTC-JKSUJKDBSA-N 456.613 2.206 30 10 JEEE C=CCCCCn1c(CCc2ccccc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1539971385 FMWIZINNAPMXNS-UHFFFAOYSA-N 450.587 2.347 30 10 JEEE C=CCN(CCOC)c1nnc(-c2ccc(Br)cc2)n1C[C@]1(O)CCN(C)C1 1540192053 VSWLZAFOWQDWJN-FQEVSTJZSA-N 450.381 2.413 30 10 JEEE C=CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CCNC(=O)C(C)(C)C 1540198773 PTNPLQXEPDPWPP-UHFFFAOYSA-N 453.547 2.395 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC(CCC(N)=O)CC1 1540866065 BMGRFTPIYHLTJU-UHFFFAOYSA-N 460.966 2.391 30 10 JEEE CC(C)C(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCOC[C@@H]2C)CC1 1541268794 DFINGYAFNQIIEF-IBGZPJMESA-N 465.602 2.278 30 10 JEEE C[C@H]1C[C@H](C)CN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N2CCOCC2)C1 1543579618 DSVALEGTASZIMC-OALUTQOASA-N 452.559 2.460 30 10 JEEE C=CCOCCCNS(=O)(=O)c1cc(C)c(I)c(C(=O)OC)c1 1561757305 PMDBJIOHZYOJLJ-UHFFFAOYSA-N 453.298 2.257 30 10 JEEE N#C[C@@H]1CN(C(=O)c2cc(O)nc3ccc(S(=O)(=O)Nc4ccc(F)cc4)cc23)CCO1 1565582622 DULBDKSABVOFHR-OAHLLOKOSA-N 456.455 2.245 30 10 JEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1 1586242279 OMEWEUHUJQRXGN-CYBMUJFWSA-N 459.943 2.403 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1CC[C@H](N1CCOCC1)C(F)(F)F 1588128366 IYYKNJDUXZLMSX-IBGZPJMESA-N 499.497 2.320 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccc(C)cc2F)CC1 1588891634 ROZJZFDYLMJDHB-RUZDIDTESA-N 469.561 2.392 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2C[C@@](C)(O)[C@@H](C)CC)CC1 1588907674 DBWSZSSCVMYYNY-SSOJOUAXSA-N 467.570 2.437 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCN(CC(=O)N(C)C2CCCCC2)CC1 1595516525 FRBGATVJQKPPTM-UHFFFAOYSA-N 479.629 2.160 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1595537511 RZZOPYDFEGPPRT-HZPDHXFCSA-N 472.571 2.160 30 10 JEEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCN(Cc2csc(C(C)(C)C)n2)CC1 1595595442 UZEQVWJQVNCRJH-UHFFFAOYSA-N 461.636 2.193 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1595639564 CFSSWNQCQFOKHY-RTBURBONSA-N 452.559 2.277 30 10 JEEE CC(=O)N1CCN(CCn2c(COc3ccc(C#N)cc3)nnc2N2C[C@@H](C)C[C@@H](C)C2)CC1 1596296577 IAAUOGLEURKBGP-BGYRXZFFSA-N 465.602 2.375 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@H](c2nnc(N3CCO[C@@H](C#N)C3)n2CC2(C(N)=O)CCCC2)C1 1597461797 FXMSBGHLTXJWMK-ROUUACIJSA-N 487.605 2.167 30 10 JEEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(Cc2cccnc2)n1CC(C)(C)CN(C)C 1612884875 HTCGLOSMTIDBRX-LJQANCHMSA-N 474.617 2.228 30 10 JEEE C#CCNC(=O)C1CCN(C(=O)c2ccc(S(=O)(=O)Nc3ccccc3OC)cc2)CC1 1617689508 ITWGYJOGLRAMEC-UHFFFAOYSA-N 455.536 2.098 30 10 JEEE C#CCOc1ccc(CNC(=O)CCNS(=O)(=O)c2cccc(Br)c2)cc1 1624394754 GKYGRGYMEMPBTR-UHFFFAOYSA-N 451.342 2.446 30 10 JEEE CC(C)C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 1628974707 HOMCPEPAWCTAAQ-WBVHZDCISA-N 452.577 2.281 30 10 JEEE C#C[C@H](NC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1F 1630533615 MQDLCNPVABMYCB-KRWDZBQOSA-N 454.867 2.339 30 10 JEEE N#CCCN(Cc1cccnc1)S(=O)(=O)C[C@H]1CN(C(=O)OCc2ccccc2)CCO1 1666174641 BNBJWTXJDSWQBH-OAQYLSRUSA-N 458.540 2.165 30 10 JEEE C=CC[C@H](NC(=O)NCC[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)c1ccncc1 1684647944 BKPJYYRGOBHLBG-ROUUACIJSA-N 452.577 2.422 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1Cc1cn(C2COC2)nn1 1689841516 IFFDIGOHFNPYNW-ZDUSSCGKSA-N 472.347 2.385 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CCC3)n2C[C@@H]2CCCN2CCCO)c1 1689870613 UGTKDSGHSWJQFD-QFIPXVFZSA-N 450.587 2.449 30 10 JEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@@H](SC)C1 1689892370 DHBZTEZHSQKDIP-MSOLQXFVSA-N 455.650 2.136 30 10 JEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)N(C)Cc1ccccc1 1689965689 BEJNJJGODCAFRZ-HXUWFJFHSA-N 482.585 2.315 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H](F)COC)[C@H]1CCS(=O)(=O)C1 1689982476 OGZYXVDPIKIEAU-HOTGVXAUSA-N 472.489 2.158 30 10 JEEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1C[C@H]1OCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1689995809 AITMGZUWFVNSJM-WIYYLYMNSA-N 488.610 2.308 30 10 JEEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(NC(=O)N(C)C)cc1 1690015243 FTIMPGHQBIHOBL-UHFFFAOYSA-N 459.510 2.220 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H](c2ccc(C)cc2)N(C)C)CC1 1690135147 PHNDQPHJPZVIAS-HJOGWXRNSA-N 466.630 2.369 30 10 JEEE C=C(C)COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1690304417 AVNVUIDHSWEQRW-OAQYLSRUSA-N 483.573 2.189 30 10 JEEE C=CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(S(C)(=O)=O)CC1 1690483959 ZUJBIOJANVGUTH-SFHVURJKSA-N 482.651 2.440 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N(C)CC1CCOCC1 1690669133 VJZOCZPXNGIKKJ-UHFFFAOYSA-N 479.585 2.230 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC(C(=O)NCc2ccc(F)cc2)CC1 1690670840 KABOZTISTIOIDF-OAQYLSRUSA-N 484.576 2.494 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1690718820 ANGCNEGNHYHQNC-HOTGVXAUSA-N 452.920 2.313 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCC(O)(c2ccccc2)CC1 1690726734 JXMQQZCAKLGIFS-UHFFFAOYSA-N 467.595 2.353 30 10 JEEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1690731240 FFFOCOSBXTYHAI-UHFFFAOYSA-N 475.707 2.428 30 10 JEEE CC(=O)N1CCC[C@@H](Cn2c(N3CCO[C@H](C#N)C3)nnc2[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)C1 1690813909 WBKCIUYIIQOVFZ-YSTOQKLRSA-N 487.605 2.036 30 10 JEEE CC(C)NC(=O)c1nnc(N(C)C[C@H](C)C#N)n1Cc1cccc(CN2CCO[C@@H](C)C2)c1 1690993289 HXEGAROBYZXKCK-MOPGFXCFSA-N 453.591 2.281 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cn3nc(C)cc3C)n2CCn2cc(C)cn2)c1 1705508139 QIFYOLIZDWAWFB-UHFFFAOYSA-N 471.569 2.401 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CC3)n2C[C@@H](C)CN2CCOCC2)c1 1705508586 YIUQSMSMSXTAMP-IBGZPJMESA-N 450.587 2.255 30 10 JEEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1705509238 FMLZNKABRBAGJU-JOCHJYFZSA-N 484.670 2.368 30 10 JEEE C#CCCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@H](CC(N)=O)C1 1705510700 WIOFSAKLIKVYGT-GOSISDBHSA-N 471.631 2.442 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccc4cccnc34)n2CC(=O)N(C)C)n1 1705631494 HLRDIRCBOBXFFG-UHFFFAOYSA-N 472.553 2.064 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccccc3Br)n2C[C@@H](C)CN2CCOCC2)CC1 1705637204 NEOIEXYKRYCKBV-IBGZPJMESA-N 487.446 2.431 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccccc2OCCN(C)C)CC1 1705648733 XIXXFMDFKPDIAP-QHCPKHFHSA-N 494.640 2.127 30 10 JEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2[nH]c3ccccc3c2CC1 1705652430 YZXAQKHJTVGOBU-INIZCTEOSA-N 472.640 2.341 30 10 JEEE C#CCSCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCC(C(=O)NC)CC1 1705658909 FGOLWRCQEPJCPW-UHFFFAOYSA-N 493.637 2.394 30 10 JEEE C=C(Br)Cn1c(N2CCN3C(=O)OC[C@@]3(C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1705692159 BBKFKNKGMGWRFD-RTBURBONSA-N 470.368 2.258 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CNC(=O)CCC)C1 1705699895 MWMASOCLKAYZOB-VMBXEPDQSA-N 493.674 2.294 30 10 JEEE C=CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1705810878 KILPOVVNPSGPTI-QGZVFWFLSA-N 451.980 2.451 30 10 JEEE C=CCCOCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1705827767 QQUXOWVNRSASJI-NRFANRHFSA-N 455.559 2.374 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1705898396 KIWUQQKFEQNZKN-UHFFFAOYSA-N 489.536 2.190 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCCN(C(C)=O)CC1 1705933576 LTXPTORAJPCCTO-UHFFFAOYSA-N 451.980 2.258 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCCC[C@@H](COC)C1 1705937524 WSIWDXFGUCKEML-QGZVFWFLSA-N 453.634 2.488 30 10 JEEE CCC(O)(CC)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1708817046 CGHNRDOFQIPVNV-UHFFFAOYSA-N 475.557 2.070 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCNc1nccc(C(F)(F)F)n1 1722285091 SUQXUVSGEMITCF-CYBMUJFWSA-N 459.436 2.304 30 10 JEEE C#CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1722333187 HZGOQVRRYVUTEM-MOPGFXCFSA-N 471.606 2.362 30 10 JEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCN1CCCCCC1=O 1722345869 KRFLHZDQXHMCRG-UHFFFAOYSA-N 472.615 2.058 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCC[C@H]1OC 1722375102 JTGCGGKXABTOLI-PZJWPPBQSA-N 455.584 2.083 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1c[nH]c2ccccc12 1722395725 AZOJLDHXIFPOQS-HSZRJFAPSA-N 494.621 2.188 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2nnc(C)s2)CC1 1722443901 PGGSYZWQGCDUCX-UHFFFAOYSA-N 466.527 2.027 30 10 JEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCn2c(nnc2-c2ccccc2)C1 1722453182 OZIOOXJVFOWQPZ-UHFFFAOYSA-N 450.572 2.061 30 10 JEEE C=CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1722682642 YUXXGKKJLZRHCE-KRWDZBQOSA-N 459.620 2.426 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN(C)CC(F)(F)F 1740547101 OGHXKURUORISSD-CQSZACIVSA-N 457.526 2.190 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1Cc1ccccc1CN1CCC[C@H]1CO)[C@H]1CCS(=O)(=O)C1 1740628381 XHLYIMHDLGOAEL-ZEQRLZLVSA-N 499.681 2.108 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(OC)nc1 1740685641 JCEXVUBRQRICAR-IBGZPJMESA-N 486.573 2.124 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC(C)(C)CCOC)CC1 1740698746 VFLZUFZPCVINOE-UHFFFAOYSA-N 459.616 2.167 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@](C)(O)C(C)C)CC1 1740707552 HATVZAGMEGXGOZ-RUZDIDTESA-N 469.586 2.239 30 10 JEEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1740720628 GFAVQDJIXPUQPF-FQEVSTJZSA-N 453.616 2.213 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@H](C)C1 1740752914 CMKHNUQDRDIZTQ-CUWPLCDZSA-N 475.615 2.402 30 10 JEEE C=CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1740859115 GUVROFOSHQZAPN-UHFFFAOYSA-N 483.598 2.292 30 10 JEEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1740942708 CIKFMSCRMKBHGC-UHFFFAOYSA-N 488.036 2.428 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Br)cc2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1740963255 FRDIXBSUTZKXNM-MAUKXSAKSA-N 494.390 2.162 30 10 JEEE C=CCOc1ccccc1Cn1c(CC(C)C)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1740971232 LCSSCQBVOKWYCR-UHFFFAOYSA-N 468.602 2.263 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1740989464 NQNTVQPXVXBULE-LJQANCHMSA-N 459.616 2.235 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1740993065 YAWXQODPLQBIHL-OALUTQOASA-N 451.637 2.084 30 10 JEEE CCN1CCCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@@H]1C 1746422379 ATQAWCDCBVWZOB-AZUAARDMSA-N 451.575 2.270 30 10 JEEE CCNC(=O)C(C)(C)Cn1c(-c2cnccn2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1746482674 DWPJURNUWQCSQP-HXUWFJFHSA-N 460.542 2.347 30 10 JEEE C#C[C@H](C)N(C)c1nnc(Cn2ccc3ccccc32)n1CCS(=O)(=O)N1CCSCC1 1748680303 PVTYSIGNBLXUPX-SFHVURJKSA-N 472.640 2.118 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2CCS(=O)(=O)C(C)(C)C)c1 1748698301 SPZZRYRRYMQMDI-LJQANCHMSA-N 473.599 2.399 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Cl)n1CCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1748810135 SITRKZVROZCTMA-QGZVFWFLSA-N 458.975 2.430 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCN(CC)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1748814877 KOIQRLLQTCXMRS-MOPGFXCFSA-N 495.646 2.403 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1cc(OC)ccc1OC)[C@@H]1CCS(=O)(=O)C1 1748815522 RBRMWUPAVYSXCK-NQIIRXRSSA-N 474.583 2.212 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1CCN(C)[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1748819468 PBHVDTJZEMHBKT-AZUAARDMSA-N 461.607 2.365 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1CC1(S(C)(=O)=O)CCCC1 1748835394 AQSSPEJRSUMIOS-UHFFFAOYSA-N 456.568 2.393 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccccc2OC)n1C[C@H]1CCCN1c1cnn(C)c1 1748859536 IKOUGBQFVJGZTP-HXUWFJFHSA-N 459.554 2.341 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc3ccccc3n2)n1CCNS(=O)(=O)Cc1ccon1 1748891356 SMQXAAZIQLOZAF-UHFFFAOYSA-N 489.561 2.064 30 10 JEEE C#CCN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCCS(C)(=O)=O 1748925435 HLRKSXAIPPKGHS-UHFFFAOYSA-N 453.609 2.287 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccccc1C(F)(F)F 1748929721 OMGFOJYJAFEVRI-GOSISDBHSA-N 485.532 2.332 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCC1CCOCC1 1748940377 IXFDYGOEPADHST-QGZVFWFLSA-N 463.579 2.484 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)ccc3Br)n2CCN(C)CCOC)CC1 1748979792 NBVOXBVPSYJCPX-UHFFFAOYSA-N 491.434 2.050 30 10 JEEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCN(CC(F)(F)F)CC1 1749034178 XBBTZXXANVNJSB-UHFFFAOYSA-N 456.494 2.057 30 10 JEEE C#CCSCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCO[C@H](C(=O)NC)C1 1749046901 JQONPIIWRJUWDM-KRWDZBQOSA-N 484.409 2.482 30 10 JEEE C=C(Br)Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1749108964 ABQIFITZIJAGSW-APWZRJJASA-N 451.369 2.433 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cnn(CC)c1 1749369182 XSMUCGBMMQZPJR-GOSISDBHSA-N 465.624 2.066 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(OCc2ccccc2F)CC1 1749650429 WXDKSASZRZJTIB-UHFFFAOYSA-N 470.549 2.141 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 1749733764 BPSBESBHCPRXJH-ZWKOTPCHSA-N 465.645 2.328 30 10 JEEE N#Cc1ccc(OCc2nnc(N3CCS(=O)CC3)n2CCC(=O)NC2CCCCC2)cc1 1750384475 BIJXJUYTOMASMM-UHFFFAOYSA-N 470.599 2.136 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2C[C@H](c2ccco2)N(C)C)c1 1760127627 GRXVSLKUYJJGAL-OAQYLSRUSA-N 489.580 2.353 30 10 JEEE C#CCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1760133440 DNSLXTDBJJBHTA-UHFFFAOYSA-N 454.538 2.441 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CC1=CCCCC1)[C@@H]1CCS(=O)(=O)C1 1760181686 ZYDKPAZKWUKSTG-OFNKIYASSA-N 462.616 2.446 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@@H]1CCC[C@H](O)C1)[C@H]1CCS(=O)(=O)C1 1760192600 WFDIBACTHIWUBG-HKBOAZHASA-N 472.611 2.343 30 10 JEEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@](O)(c1ccccc1)C(F)(F)F 1760196155 LKSRILLJVASXKM-FGZHOGPDSA-N 462.472 2.453 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2CCN2CCN(C)C(C)(C)C2)CC1 1760268064 KUTKAWCVYXVBDH-UHFFFAOYSA-N 477.657 2.245 30 10 JEEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1C[C@H](F)CN1Cc1cccs1 1760455968 DGISSIJTKYAOIU-JYJNAYRXSA-N 456.613 2.185 30 10 JEEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@]1(N2CCOCC2)CCSC1 1760457074 FRGNSTVLAYWIKA-QFIPXVFZSA-N 477.656 2.179 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCc2cc(OC)ccc21 1760465021 VEOSQZBSDVENOJ-NQIIRXRSSA-N 475.615 2.362 30 10 JEEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1760515446 NVTOFYAPMFMZGW-RTBURBONSA-N 451.531 2.392 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC(CN(C)C(=O)OC(C)(C)C)CC1 1760522046 KPVPWDOPDDTCIR-GOSISDBHSA-N 462.595 2.168 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC(CO)CC1 1760551052 RVWZYFNQCALZKI-UHFFFAOYSA-N 456.572 2.145 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1760552541 RSDCVYZZWWQGEY-QGZVFWFLSA-N 477.587 2.269 30 10 JEEE C=CCSCCn1c(Cn2ccc3ccccc32)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1760567430 ABMUGKKKRXKHJL-UHFFFAOYSA-N 495.653 2.374 30 10 JEEE CC[C@@H](c1ccccc1)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCS(C)(=O)=O 1762104164 HQYCYLURTRVDFY-FQEVSTJZSA-N 496.641 2.105 30 10 JEEE CCOC(=O)N[C@@H](CC(C)C)Cn1c(C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1765715347 HXVFOFJSBDLQJP-AEFFLSMTSA-N 455.567 2.124 30 10 JEEE CCOCc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CCCC(=O)NC1CC1 1767934442 CZXUJGZRHUGJEA-UHFFFAOYSA-N 455.538 2.211 30 10 JEEE CN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@](C)(O)c1cccs1)[C@H]1CCS(=O)(=O)C1 1768539136 FJEKCGGXLCIESB-LAUBAEHRSA-N 457.581 2.409 30 10 JEEE O=C(C1=C(O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccc(O)cc1)c1ccc([N+](=O)[O-])cc1 1862746552 GUCAFCQXAPDAHY-FQEVSTJZSA-N 453.451 2.211 30 10 JEEE C=CCOc1ccccc1[C@@H]1C(C(=O)N[C@H](C)c2ccccc2)=C(N)Oc2c1c(=O)n(C)c(=O)n2C 1865726086 IYJQENZQEANBIT-OXQOHEQNSA-N 488.544 2.221 30 10 JEEE CCC[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1)C(=O)Nc1ccccc1C#N 1866592452 FICUPZMHACWPCN-JOCHJYFZSA-N 483.594 2.032 30 10 JEEE N#Cc1ccc(NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CC[C@@H]2CCS(=O)(=O)C2)cc1 1866922250 KNNJBLNIJSZRBF-WIYYLYMNSA-N 455.536 2.145 30 10 JEEE Cc1nc(SCc2cc(=O)c(OCCO)cn2CCCN2CCOCC2)c(C#N)c(C)c1C 1870239633 RDPMZHBZPFUJSV-UHFFFAOYSA-N 472.611 2.426 30 10 JEEE CCCNC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)(C)C)C2)n1/N=C/c1ccc(O)cc1O 1874273497 HGXXHITYWHPZPF-SWKNLOBNSA-N 474.587 2.304 30 10 JEEE CN(C)CC#C[C@H]1CCCN1C(=O)C[C@@H]1CSc2nc3c(cnn3-c3ccccc3)c(=O)n21 1890525117 RZOCQMYBIRKDDB-PKOBYXMFSA-N 462.579 2.175 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)C[C@@H]1CO 2060135713 PXUAJDROLLXAMS-IXDOHACOSA-N 454.568 2.308 30 10 JEEE C#CCn1ncc(N[C@H]2CCOC[C@H]2NC(=O)OCc2ccccc2)c(Br)c1=O 2106034535 IADXDKNXUGTCMT-DOTOQJQBSA-N 461.316 2.135 30 10 JEEE CCC[C@@H](CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nn(C)c1C)NC(=O)OC(C)(C)C 2267140852 UAAGBBXEAWHDGI-HNNXBMFYSA-N 450.389 2.451 30 10 JEEE Cn1ncc(CNC(=O)OC(C)(C)C)c1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2267159563 JRWVPAZTRCNNBW-UHFFFAOYSA-N 463.369 2.453 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@](F)(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2267518402 FLPOZLMZACNQSR-IPVJXJPOSA-N 452.336 2.082 30 10 JEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 2267521056 OCBZIYFNIJYRLU-JOCHJYFZSA-N 466.409 2.457 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)c1F 2268642420 GBTPFAUMUFMITG-BBRMVZONSA-N 450.316 2.434 30 10 JEEE CC(C)(C)OC(=O)N[C@]1(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C[C@@H](O)C1(C)C 2268706452 ORHSFRANSCPYBI-GTJPDFRWSA-N 467.397 2.435 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C(F)(F)C1 2268711963 QCRLWLUNKKSTHZ-NSHDSACASA-N 474.339 2.090 30 10 JEEE Cc1c(C(=O)N[C@@]23CCN(C(=O)OC(C)(C)C)C[C@@H]2C3)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281808037 UEIRXDJKNKIJPE-NPMXOYFQSA-N 460.384 2.157 30 10 JEEE CCc1nn(C)c(C(=O)N2CC(C)(CNC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2281985033 JBGONILMFDMGRY-UHFFFAOYSA-N 462.400 2.269 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@]2(C)C1 2282045289 ZXDJCACHIJYWLN-WNSKOXEYSA-N 460.384 2.048 30 10 JEEE Cc1c(B2OC(C)(C)C(C)(C)O2)cccc1C(=O)N1C[C@H](O)C[C@H]1CNC(=O)OC(C)(C)C 2282110523 PEYGYIWHUCLZHX-DLBZAZTESA-N 460.380 2.394 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)c(F)c2)C1 2282477919 WQOUQJSUNWOEKK-ZWKOTPCHSA-N 464.343 2.225 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@@](F)(CNC(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282533336 JYFHDNNNSNUFTA-JOCHJYFZSA-N 468.331 2.284 30 10 JEEE Cn1cc(C(=O)N2CCC(CCNC(=O)OC(C)(C)C)CC2)c(B2OC(C)(C)C(C)(C)O2)n1 2282578328 QFQHZIOESPOWNF-UHFFFAOYSA-N 462.400 2.486 30 10 JEEE Cc1nn(C)c(C(=O)NC[C@H]2C[C@H](C)N(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2282585866 RAMKDJJAFAAMFG-GOEBONIOSA-N 462.400 2.403 30 10 JEEE Cn1nc(C(=O)N[C@@H]2C[C@@H]3C[C@@H](NC(=O)OC(C)(C)C)[C@@H]3C2)cc1B1OC(C)(C)C(C)(C)O1 2282616231 YPMRFRAWKBNPTP-KLHDSHLOSA-N 460.384 2.141 30 10 JEEE COCCN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn1C)C1CN(C(=O)OC(C)(C)C)C1 2282644732 NDTLFRAQYLQIAU-UHFFFAOYSA-N 463.384 2.032 30 10 JEEE CC[C@@]1(CNC(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CCCN1C(=O)OC(C)(C)C 2282699846 LRUSOLUHEIBZKH-QFIPXVFZSA-N 463.388 2.024 30 10 JEEE CO[C@]1(CNC(=O)OC(C)(C)C)C[C@H](C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C1 2283972519 RYJGXTOLRDTSBQ-XLOAEROZSA-N 481.424 2.378 30 10 JEEE CC(C)(C)OC(=O)N1CCS(=O)(=NC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)CC1 2315683451 HJXQKEHXATYDGA-UHFFFAOYSA-N 471.410 2.301 30 10 JEEE CC(=O)NCc1nnc(SCC(=O)Nc2ccccc2)n1N=Cc1cccc([N+](=O)[O-])c1 2330718741 BMLLPMUAKSBTAX-UHFFFAOYSA-N 453.484 2.435 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2C[C@H](C1)N(C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)C2 2359281189 WNTDSHAYLKFWNV-BZUAXINKSA-N 458.368 2.294 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@]12CCC[C@H]1CN(C(=O)OC(C)(C)C)C2 2362343473 GXJLMOUKXZFOBZ-NPMXOYFQSA-N 460.384 2.239 30 10 JEEE COc1nc(N2CCN(C(=O)OC(C)(C)C)[C@@H](CCO)C2)ccc1B1OC(C)(C)C(C)(C)O1 2365345989 MHHAYCMBXGKFRY-INIZCTEOSA-N 463.384 2.198 30 10 JEEE C=CCNS(=O)(=O)c1ccc(NC(=S)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 13991196 LSJIDEMVBXAWGA-UHFFFAOYSA-N 465.469 2.094 30 10 JEEE COC(=O)c1ccc(/C=N/Nc2nnc(SCC(=O)Nc3cc(F)ccc3F)n2N)cc1 20913477 VTIKFWVFYUANBM-NUGSKGIGSA-N 461.454 2.234 30 10 JEEE COc1ccc(Cc2n[nH]c(N/N=C3\C(=O)Nc4ccc(Br)cc43)nc2=O)cc1 100699461 IWAGSFJICUAZSF-UHFFFAOYSA-N 455.272 2.295 30 10 JEEE NS(=O)(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2c2cccnc2)cc1 170356513 BWEDWASNMMFHDQ-LJQANCHMSA-N 480.458 2.420 30 10 JEEE C=CCSC1=NC(=O)C2=c3cc(Br)ccc3=N[C@@H](/C=C/c3ccc([N+](=O)[O-])o3)N2N1 588226751 YKLHASSZWXMROG-NFBGWVBBSA-N 488.323 2.353 30 10 JEEE C#C[C@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1CCOc1ccc(S(C)(=O)=O)cc1 1286303175 PTOPUQKFTXWEKZ-KRWDZBQOSA-N 456.572 2.080 30 10 JEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCN(C)CC(F)(F)F 1286369823 BTMNJJVYWNDYHO-UHFFFAOYSA-N 457.526 2.192 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1C[C@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 1286398840 QVYZJTSMMBRPHU-GOSISDBHSA-N 454.575 2.279 30 10 JEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@](O)(Cc2cccc(Cl)c2)C1 1286495612 AYYPZGZHSJOZDR-KKSFZXQISA-N 498.074 2.092 30 10 JEEE C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1286584481 LVDZLQLWPAYRAL-HNNXBMFYSA-N 476.423 2.411 30 10 JEEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 1286585607 KXTYKWZCPRUCFG-DLBZAZTESA-N 461.592 2.023 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCO2)n1C[C@@]1(O)CCS(=O)(=O)C1 1286744153 BFFDRHBESLYQQG-NQIIRXRSSA-N 450.536 2.011 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1286819152 BSJJFTKQOCNKAO-MRXNPFEDSA-N 453.609 2.450 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC(C(=O)c2ccccc2)CC1 1286820366 KGGZKMQPBOUTKZ-FQEVSTJZSA-N 458.584 2.482 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(Cc2ccccc2)C[C@@H]1C 1286821034 YRBLLPCRMDIXQS-PZJWPPBQSA-N 459.616 2.094 30 10 JEEE CC(=O)N1CCC[C@H](Cn2c(COc3cc(C)ccc3C)nnc2N2CCO[C@H](C#N)C2)C1 1286858626 CHDZHGCATGQOJF-LEWJYISDSA-N 452.559 2.461 30 10 JEEE C=C(C)Cn1c(SCC(=O)N2CCC(C(=O)N3CCOCC3)CC2)nnc1-c1ccco1 1290569061 UZDXROJYDKAGME-UHFFFAOYSA-N 459.572 2.304 30 10 JEEE COc1cc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC2(S(C)(=O)=O)CC2)ccc1OC(C)C 1299856838 GKRCPYPGNXMDSY-QGZVFWFLSA-N 475.571 2.047 30 10 JEEE C#CCN(c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1300492844 OYKNBXHCMOZNJB-MBSDFSHPSA-N 469.567 2.388 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@@H]1CSCCS1)[C@@H]1CCS(=O)(=O)C1 1300503894 HAUUVOPUFFGSLL-IAGOWNOFSA-N 496.655 2.472 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CCc1cnn(-c2ccccc2)c1 1300509896 YMKATQRBMVHOHV-UHFFFAOYSA-N 450.506 2.427 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@]1(C)CN(C)C1=O 1300648741 IRNYNFZDZSDKRR-WXVUKLJWSA-N 455.534 2.259 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@](C)(O)c2cccs2)CC1 1300684941 CTDILYPVOQELNQ-DHIUTWEWSA-N 459.616 2.043 30 10 JEEE C#CCN1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@H](F)COC)CC1 1300701041 ZWEVKEGWTLSOSM-IBGZPJMESA-N 464.586 2.132 30 10 JEEE C#CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@@H](C(=O)NC)C1 1300732936 FTUIRPMONJWVEN-QGZVFWFLSA-N 475.018 2.190 30 10 JEEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1300763918 YDQORMDAJJSHTK-YADHBBJMSA-N 476.691 2.117 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CCNC(=O)C(C)C 1300873412 JFHUPGXZMGUMSG-IEBWSBKVSA-N 455.563 2.115 30 10 JEEE C=CCCOCCn1c([C@@H]2CCCCO2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1301252850 RQRKIAQWPFUJLS-NRFANRHFSA-N 460.623 2.247 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1[C@@H]1C[C@H]1CF 1301339742 RRMWFGVWCZEQID-XUVXKRRUSA-N 474.562 2.206 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@@H]1C[C@H](OCC)C12CCC2 1301478443 KTAJGIYRSFNCCU-SJORKVTESA-N 453.547 2.012 30 10 JEEE C=CCOc1ccc(Cn2c(-c3cnccn3)nnc2N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)cc1 1301519210 SCUZDZOPDIXDEK-FQEVSTJZSA-N 497.625 2.456 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(C)nc3ccccc23)nnc1N1CC[C@@H](C(=O)OC)C1 1301569350 WQMNAIBWCWGAEI-QGZVFWFLSA-N 469.567 2.402 30 10 JEEE C=CCS(=O)(=O)CCn1c(Nc2ccn(C)n2)nnc1[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1301596604 UDKQHYYHWMSBNG-INIZCTEOSA-N 479.607 2.471 30 10 JEEE C[C@@]1(C#N)CCCN(c2nnc(-c3cnccn3)n2C[C@H](N2CCOCC2)C(F)(F)F)C1 1303932983 DMVIMHIZZKVZOK-LPHOPBHVSA-N 450.469 2.128 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2C[C@@H]2CCN(CCC)C2)c1 1358902428 NYZDGXILVBWCHK-HXUWFJFHSA-N 460.586 2.467 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccccc1N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1358955793 UCGPELCASKNEHI-OAQYLSRUSA-N 498.653 2.082 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@](C)(O)[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1358964795 HOCUDLDITLTSEA-KLHJMIIUSA-N 465.645 2.058 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(=O)NCC(F)F 1358993506 OYIWKKNZJYPENV-KRWDZBQOSA-N 478.544 2.237 30 10 JEEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1359055377 BYIKYJQJTBDBDT-MRXNPFEDSA-N 458.588 2.115 30 10 JEEE C=C(Br)Cn1c(-c2cnccn2)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1359081532 FEXDJVVLAOXVHL-UHFFFAOYSA-N 470.331 2.312 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)CC(=O)Nc1ccc(C)cc1 1359090700 FGBBLRFUNAWNOR-WFXMLNOXSA-N 490.630 2.253 30 10 JEEE C=C(Cl)Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 1359153501 IGOUOQXDRQNLMV-QGZVFWFLSA-N 489.067 2.263 30 10 JEEE C=CCCCCn1c(-c2cnn(C)c2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1359201690 WQRGLGKAIYPOGB-UHFFFAOYSA-N 451.579 2.415 30 10 JEEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(Nc2cc(OC)cc(OC)c2)CC1 1359287820 XXLXOYGRWWSJAW-INIZCTEOSA-N 461.588 2.464 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(O)(Cc2ccc(F)cc2)CC1 1359299436 FIDVXYAZFMBZAF-LJQANCHMSA-N 457.550 2.187 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cnccn3)n2CC[C@@H](N2CCOCC2)C(F)(F)F)C1 1359319197 UYLXXWITBUAISH-FUHWJXTLSA-N 467.496 2.170 30 10 JEEE N#Cc1c(Br)cccc1OCC(=O)N[C@H]1CC(=O)N(CCOc2ccccc2)C1 1456798154 AFPNOOZSDBCDJA-HNNXBMFYSA-N 458.312 2.496 30 10 JEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2nc(C(=O)OCC)cs2)CC1 1472395458 ODJFNTULKZKBQB-HNNXBMFYSA-N 450.561 2.275 30 10 JEEE CCOC1CC(O)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCCN(C(=O)C(C)C)CC2)C1 1502957211 FDHUCNPOGRTDEM-UHFFFAOYSA-N 466.586 2.441 30 10 JEEE CNC(=O)C(C)(C)Cn1c(COc2ccc(Br)cc2)nnc1N1CCO[C@@H](C#N)C1 1503702767 ICEYIMWDEBDNRU-INIZCTEOSA-N 477.363 2.121 30 10 JEEE COCCN(C)CCn1c(-c2ccccn2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1504854762 CUZRVIUSIDKPHC-UHFFFAOYSA-N 464.549 2.256 30 10 JEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1csc([C@@H](C)OC)n1 1507606495 NZZRTHGLXGCTQR-OAHLLOKOSA-N 474.612 2.477 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H](C)N(C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1507634849 NRGHRAUAYJYWBF-OFNKIYASSA-N 478.622 2.416 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1507784525 KYGGVOHEOZMSQS-MRXNPFEDSA-N 494.394 2.138 30 10 JEEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C[C@H]2CCOC2)CC1 1507830756 WYUCNULXNCDEAI-UXHICEINSA-N 476.622 2.321 30 10 JEEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1CCS(=O)(=O)CC1 1507980585 JTYUVVUYIWCRJM-KRWDZBQOSA-N 469.608 2.034 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccccn2)nnc1N1CCN2C(=O)NC[C@@H]2C1)C(C)C 1508011625 UPHTZRTXVMNIQR-CTNGQTDRSA-N 450.591 2.253 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CCC(S(=O)(=O)CC)CC1 1508073068 LYCIRIAVKDKWPH-UHFFFAOYSA-N 496.431 2.413 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1508074956 UQUXRYZGINVWGK-DEOSSOPVSA-N 471.558 2.039 30 10 JEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1508085517 VCTGTUUFHTZSQA-MRXNPFEDSA-N 459.601 2.279 30 10 JEEE C=CCOc1ccc(Cn2c(Cn3nc(C)cc3C)nnc2N2CCN(C(=O)NC)CC2)cc1 1508102958 AEJKGVHZEUFMSX-UHFFFAOYSA-N 464.574 2.214 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCCN(C(=O)CC2CCCC2)CC1 1508144581 GDKUKOZLQNKHJD-HXUWFJFHSA-N 479.647 2.002 30 10 JEEE N#C[C@@H]1CN(c2nnc(Cc3ccncc3)n2Cc2cccnc2OCC(F)(F)F)CCO1 1521136306 CUFFDCKRKRYCIP-QGZVFWFLSA-N 459.432 2.377 30 10 JEEE C#CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(C2CC2)C(=O)C1 1539044911 MTAGLBPUBOHIFZ-UHFFFAOYSA-N 454.962 2.476 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccc(-n3ccnc3)c(F)c2)CC1 1539427678 HCLOKFXFZWDYSL-UHFFFAOYSA-N 478.576 2.325 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@H]2COCCO2)CC1 1539470199 ZEOIHRXGXRQBSD-UNMCSNQZSA-N 481.597 2.416 30 10 JEEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1539603689 VCPIWLYBMCZMOJ-CQSZACIVSA-N 492.407 2.074 30 10 JEEE C=C(Cl)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)CC[C@H]2C1 1539804523 XXPHDYXMSJBULM-JKSUJKDBSA-N 466.970 2.150 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCC(C)CC2)nc1 1540201261 REYBUULUHCDHMR-NRFANRHFSA-N 488.658 2.499 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCC[C@H](COC)C1 1540869479 OLGWRWQNUGPTJD-SFHVURJKSA-N 479.585 2.230 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C)C(=O)[C@H]1C 1540897687 PMNMHOGTQOCGAM-RTBURBONSA-N 475.615 2.303 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)Cc1c(C)nn(C)c1C 1540899915 FBHKNCWCNUEXEY-UHFFFAOYSA-N 472.571 2.261 30 10 JEEE CC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCOC(C)(C)C2)CC1 1541043357 ARAMGOLAYHJOIP-UHFFFAOYSA-N 451.575 2.032 30 10 JEEE CC(C)c1nnc([C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCC(=O)N(C)C)CCO2)o1 1541319831 CVTPVIJSPRUHEZ-GOSISDBHSA-N 464.530 2.379 30 10 JEEE COCCNC(=O)[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CCN1C(=O)c1ncccc1C 1548372693 VYOJCGARCYABHY-IBGZPJMESA-N 475.471 2.374 30 10 JEEE COC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCN(C)C(C)(C)C2)CC1 1554527232 FFZJSMGZZBHHAB-UHFFFAOYSA-N 465.602 2.232 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1Cc1cccnc1OCC(F)F)[C@@H]1CCS(=O)(=O)C1 1588059477 OSFZMWPOXGLYHC-QGZVFWFLSA-N 467.542 2.191 30 10 JEEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(OC)c(OC)c2OC)CC1 1588857957 WBNURYGALMWIIP-UHFFFAOYSA-N 482.610 2.463 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2Cc2cc(C(C)(C)C)no2)CC1 1588930007 KYYZTCRFAVPFRY-SFHVURJKSA-N 454.575 2.472 30 10 JEEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCC(N2CCCNC2=O)CC1 1589405435 REAFNIYTBHIZKK-HNNXBMFYSA-N 453.385 2.465 30 10 JEEE C=C(C)COCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1593735799 RNTXZACLHUNDDY-JKSUJKDBSA-N 474.587 2.444 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCc2cccs2)CC1 1593746425 DXQXZKOVUFBUKR-IBGZPJMESA-N 479.672 2.199 30 10 JEEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1CCN(C(C)=O)CC1 1594963781 XAZHWPBNDIOSDO-LJQANCHMSA-N 462.595 2.467 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Oc1ccc(F)cc1)C1CC1 1595055055 YBKSPHJFBPBYKR-UZLBHIALSA-N 479.578 2.372 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)NC)CC1)C(C)C 1595171353 UWUXOPNWOFNYSA-NHCUHLMSSA-N 459.639 2.332 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@@H](CC(C)C)C1 1595778301 XPSSNPCKYMBMMS-SFHVURJKSA-N 470.603 2.394 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1595831158 MIEYHYNQYFEKAU-RTXPOLOASA-N 482.647 2.182 30 10 JEEE COc1ccc([C@@H](CO)N(C)C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 1624111737 HQGRTQJFXWWBFP-JOCHJYFZSA-N 457.552 2.160 30 10 JEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCC(=O)Nc1ncccc1C 1629370833 GMYOEMFMCCEBSN-KRWDZBQOSA-N 457.556 2.132 30 10 JEEE C#CCn1ccc(CN(CCOC)C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)n1 1634600787 AIKAWBATWQUOGS-SZTYLXMGSA-N 455.559 2.278 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)NC[C@@H](O)COc3ccccc3Br)cc2C1=O 1635492098 SDJPVBFYRTVVKC-CQSZACIVSA-N 459.296 2.401 30 10 JEEE C#CC[C@H](CO)NC(=O)c1cccc(S(=O)(=O)Nc2cc(Cl)c(OC)cc2OC)c1 1638760839 CAGKIPVJEVNMBF-CQSZACIVSA-N 452.916 2.272 30 10 JEEE CCOC(=O)[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1)[C@@H](O)c1ccc(Cl)cc1 1641009938 DMGDXKFBRCBGHK-DQLDELGASA-N 455.898 2.346 30 10 JEEE C=CCNS(=O)(=O)c1ccc(C(=O)N(C)Cc2nnc3n2C[C@H](C(F)(F)F)CC3)cc1 1649373478 CKHRJMBXKAVAKM-CQSZACIVSA-N 457.478 2.139 30 10 JEEE C#CCN(CC(=O)Nc1sc2c(c1C(=O)OCC)CC[C@@H](C)C2)[C@H]1CCS(=O)(=O)C1 1657713298 ALGHYPWBNBYUAY-CABCVRRESA-N 452.598 2.110 30 10 JEEE C#CCOc1ccccc1NC(=O)NCC[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1670866916 WLWJRNHOHMPORS-MRXNPFEDSA-N 451.545 2.244 30 10 JEEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CC(C)(C)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1689982332 KVGIVXJFRYVDFJ-DNVCBOLYSA-N 478.537 2.145 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCC(=O)NCc1ccccc1)[C@H]1CCS(=O)(=O)C1 1689984085 KXWGUEIAQFXUFK-FQEVSTJZSA-N 481.578 2.180 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCc1ccc(CC)cc1)[C@H]1CCS(=O)(=O)C1 1689998831 YBCKKFRHWKSMAE-VABKMULXSA-N 486.638 2.434 30 10 JEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 1690154538 QPLPTXVDAZOSCY-KRWDZBQOSA-N 475.640 2.481 30 10 JEEE C#CCSCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1690181404 XGRKPOVERJMNHD-SFHVURJKSA-N 472.640 2.235 30 10 JEEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1690185647 BWTPEFZLSGZFDY-IFMALSPDSA-N 488.702 2.308 30 10 JEEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1690319784 YMZZJAPCGLTFSC-GOSISDBHSA-N 471.587 2.174 30 10 JEEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ncc(CC)s1 1690345858 FPBLQFURJSBFOT-CQSZACIVSA-N 461.013 2.019 30 10 JEEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1690451297 CMCHVJPSILYCIM-TZIWHRDSSA-N 480.617 2.271 30 10 JEEE C=CCN(CCc1ccco1)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCCCS1(=O)=O 1690609586 UISCDXBUIQRRFK-IBGZPJMESA-N 461.588 2.196 30 10 JEEE C=CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(CC(F)(F)F)CC1 1690629932 KVFDDBXKUFHUAM-UHFFFAOYSA-N 457.526 2.417 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)cc3)n2CCS(=O)(=O)N2CCSCC2)C1 1690691434 DIVAAZNENNPHRP-HXUWFJFHSA-N 493.655 2.114 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](c2nc(CC)cs2)C1 1690722918 AQNGLAHXBORGIY-RDJZCZTQSA-N 478.644 2.233 30 10 JEEE CCN(CCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1)S(C)(=O)=O 1695738812 HEKDAAMCUWYAOS-FQEVSTJZSA-N 496.641 2.291 30 10 JEEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CCC(C)(C)C)CC1 1696501471 GKQIOTDCYYIFBL-UHFFFAOYSA-N 473.647 2.314 30 10 JEEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](CN2CCCC[C@@H]2C)C1 1697022064 CDZVDKFMQZSDQV-PZJWPPBQSA-N 485.658 2.457 30 10 JEEE COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)C(C)(C)C)C[C@H](C)O1 1697888254 CALBRHNBLWYXPP-QFBILLFUSA-N 461.588 2.270 30 10 JEEE N#C[C@@]1(F)CCN(c2nnc([C@H]3CCC(=O)N3)n2CCC2CCN(CC(F)(F)F)CC2)C1 1698483598 GIQMRPYBNCPNGG-BEFAXECRSA-N 457.476 2.336 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCCN1CCOCC1 1705494751 FGKWHKXHULNQCX-WOJBJXKFSA-N 476.622 2.157 30 10 JEEE C#CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)N1CCN(CC)CC1 1705558061 JCRAGROTVLFZOB-UXHICEINSA-N 459.639 2.446 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1CCc1cccc(OCC)c1)[C@H]1CCS(=O)(=O)C1 1705565341 HTEAKNKXOGXVPW-PMACEKPBSA-N 458.584 2.050 30 10 JEEE C#CCN(c1nnc(-c2noc3c2COCC3)n1CC(C)(C)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1705565663 ISVMKKXGEFGZPD-CYBMUJFWSA-N 487.504 2.221 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H](C)CN1CCN(CC)CC1 1705606930 KVOKVRKFSBRQNX-HXUWFJFHSA-N 472.659 2.082 30 10 JEEE C#CCN(CCOC)c1nnc(COc2ccc(Br)cc2)n1C[C@]1(C)CN(C)C1=O 1705630269 MHVDSZHVTIDDNF-NRFANRHFSA-N 476.375 2.184 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2CCCC(=O)N(C)C)CC1 1705647639 JIZWXCCOCPRYPC-UHFFFAOYSA-N 489.580 2.434 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2CC2([S@](C)=O)CC2)CC1 1705649745 FXGIAOWRRRTVLV-YTTGMZPUSA-N 453.612 2.054 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCOCC1 1705696801 QRIHXYDPLGXUMO-ICSRJNTNSA-N 461.588 2.013 30 10 JEEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1705738879 NKVUFHLRCOPDPZ-SFHVURJKSA-N 452.563 2.431 30 10 JEEE C=CCN(CC=C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCCS(=O)(=O)C1 1705870422 IEQUQOTXJSZWJL-SFHVURJKSA-N 493.655 2.199 30 10 JEEE C=CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1CC[C@@H]1COCCO1 1705881641 WMWHZLHKYJNTDK-MRXNPFEDSA-N 454.369 2.490 30 10 JEEE CN(CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@H](C#N)C1)CC(F)(F)F 1711207089 AXXBNQVKRNSBIY-GFCCVEGCSA-N 462.274 2.259 30 10 JEEE C#CCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1722330030 OHBAXGNHMQLUSF-UHFFFAOYSA-N 467.599 2.404 30 10 JEEE C#CCN(c1nnc([C@@H](CC)c2ccccc2)n1CC1(S(C)(=O)=O)CC1)[C@H]1CCS(=O)(=O)C1 1722364156 JPQZCJJLHYGWJS-PMACEKPBSA-N 490.651 2.024 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2cc(C(C)(C)C)no2)CC1 1722434227 NVWKWSWMZYMPQQ-UHFFFAOYSA-N 482.610 2.438 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2CC2(CC)CC2)CC1 1722450068 WCGRTSBBYIXGNC-UHFFFAOYSA-N 454.600 2.426 30 10 JEEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1722453754 BEEMRDVNLSYYOT-LJQANCHMSA-N 493.641 2.276 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2COc3ccccc3O2)n1CCS(=O)(=O)NC(C)C 1722473379 UGFXGWNTLBECRP-DENIHFKCSA-N 459.572 2.111 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CC[C@]2(CNC(=O)C2)C1 1722694208 OHIOMYVFSFXGRD-FQEVSTJZSA-N 493.793 2.380 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1722695534 GTFLTAOEPBXKIX-QFIPXVFZSA-N 455.950 2.386 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1722696415 MIADOOHICGKRQQ-UHFFFAOYSA-N 451.619 2.242 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1722703820 IYKGBKYTFHXQIQ-AQKKSAQBSA-N 457.600 2.478 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2c(F)cccc2F)C1 1722717354 ADLSYNASCFSHNB-HOTGVXAUSA-N 452.527 2.482 30 10 JEEE COCCN(CCC#N)c1nnc(-c2cnn(C)c2)n1CC1CCN(CC(F)(F)F)CC1 1730760847 CKAXFWFXRCUCLG-UHFFFAOYSA-N 454.501 2.319 30 10 JEEE C#CCN(c1nnc(C)n1C[C@H](c1cccc(OC)c1)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1740617456 RJYDAFHXDRDRAS-IFMALSPDSA-N 457.600 2.059 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1CC[C@@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1740618896 CXNIYKXJAHMDAZ-ZWKOTPCHSA-N 495.001 2.039 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(CNC(=O)c2cccs2)n1CCn1cncn1 1740678857 UPJIWCFDBRLDKQ-UHFFFAOYSA-N 464.530 2.340 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(C)(C)OC 1740686274 QIFCMKZVGVQBBQ-KRWDZBQOSA-N 451.568 2.098 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC2(N(C)C)CCCCC2)CC1 1740692782 OXYUNLGHUJOOIT-VWLOTQADSA-N 458.651 2.338 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2Cc2cc(C)nn2C)CC1 1740703050 DWNIOXRWJGODEM-UHFFFAOYSA-N 477.569 2.018 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2Cc2cnn(CC)c2)CC1 1740707177 SAQLNIDLBPYJNN-UHFFFAOYSA-N 461.570 2.108 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CCOc2ccccc2)nnc1N1CCN(C(=O)COC)CC1 1740763345 KATDISPRRIJJMZ-HYBUGGRVSA-N 469.586 2.176 30 10 JEEE C=C(C)COCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1740787600 GZXYZJPABHIKRS-SFHVURJKSA-N 485.614 2.398 30 10 JEEE C=CCCOCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCN(CC(=O)N(C)C)CC1 1740884551 FICHJWAUZHLRNK-UHFFFAOYSA-N 451.575 2.229 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC(S(=O)(=O)CC)CC1 1740952223 XXECEVZHNFGLRW-MRXNPFEDSA-N 479.578 2.263 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)CCN1CCOCC1 1740956034 FNIZPEMIZONCGY-UHFFFAOYSA-N 453.374 2.323 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC(CC(=O)NC2CCCC2)CC1 1740956412 RIGRMCHGSWWKOE-UHFFFAOYSA-N 451.575 2.308 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1740988803 PVPLXLFLQPZNQF-HXUWFJFHSA-N 497.625 2.450 30 10 JEEE Cc1nn(C)c(C)c1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1742658258 CTTOROFESJBKBV-WMZOPIPTSA-N 485.614 2.385 30 10 JEEE CCNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC[C@H]2OC)CC1 1746531204 BVCQWOJAOBZDKC-TZIWHRDSSA-N 467.574 2.395 30 10 JEEE CNC(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCCCC2)C1 1748189084 DMEVDIPGAVCDEQ-IBGZPJMESA-N 452.559 2.386 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1CCc1cccnc1)[C@@H]1CCS(=O)(=O)C1 1748808702 GFYWXSHXEUEXNK-HXUWFJFHSA-N 481.578 2.227 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@H]1CCC=CO1)[C@H]1CCS(=O)(=O)C1 1748821026 LKIJNSUNKJOJFK-PZJWPPBQSA-N 456.568 2.485 30 10 JEEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1Cc1cccc(Br)n1 1748842326 KXVUNBRZCMBARI-UHFFFAOYSA-N 453.300 2.284 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(-n2ccnc2C)nc1 1748868353 VMRCKBJDUXUNNY-RUZDIDTESA-N 459.554 2.331 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1CC1(S(C)(=O)=O)CCCC1 1748950274 HUFCSECUUSBULV-UHFFFAOYSA-N 484.420 2.479 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cn4ccccc4n3)n2C[C@@](C)(O)[C@H](C)CC)CC1 1749017244 YEHHPYXFNHLRGM-NIYFSFCBSA-N 477.613 2.280 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCCN(S(C)(=O)=O)CC1 1749127110 JUACDIXLONEOPR-ICSRJNTNSA-N 460.604 2.101 30 10 JEEE C=C(C)COCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](C(=O)OC)C1 1749228800 CWASKGCHJCXIJB-ROUUACIJSA-N 479.578 2.179 30 10 JEEE C=C(C)COCCn1c(N2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)nnc1[C@]1(OCC)CCOC1 1749239505 LZLYYRZWHJOPON-LBVMUVSTSA-N 450.580 2.296 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 1749666224 JJYKCNIDOGTEDM-SFHVURJKSA-N 453.591 2.328 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2Cc2ccc(C(N)=O)nc2)C1 1749715276 RIFKBPQWKSSSDS-MRXNPFEDSA-N 454.481 2.471 30 10 JEEE C=CCSCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CC(=O)N(C)[C@H](C)C1 1749760074 BCPVZEZUQSNTJR-OAQYLSRUSA-N 483.686 2.229 30 10 JEEE CC(C)CCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1750788764 DMIZIXRDTXDBNB-IBGZPJMESA-N 460.604 2.493 30 10 JEEE CC(C)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCO[C@H]2C)CC1 1750902611 ABDPRKIUEFXOJZ-CYFREDJKSA-N 454.575 2.189 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H]1CC(=O)N(CCOC)C1 1760096941 XGJJARAIVQYVQQ-MOPGFXCFSA-N 452.559 2.100 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1CCc1ccc(SC)cc1)[C@H]1CCS(=O)(=O)C1 1760188081 HGMYFUDCCCMIHB-SFHVURJKSA-N 468.608 2.326 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(OC)ccc2Br)n1C[C@@]1(C)CN(C)C1=O 1760195850 ACYGYORERNUWPS-OAQYLSRUSA-N 456.344 2.267 30 10 JEEE C#CCN(CCOC)c1nnc(Cc2ccncc2)n1CCc1cnc2c(Cl)cnn2c1 1760250837 MUHJDLZABUXCSV-UHFFFAOYSA-N 450.934 2.289 30 10 JEEE C=C(Br)Cn1c(N2C[C@H](C)[C@H](N3CCOCC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1760314052 IFHQVVMJAJLNPI-YRISNDGFSA-N 484.439 2.384 30 10 JEEE C=C(C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1760341731 SHTSCHCEGMGSSN-LJQANCHMSA-N 472.565 2.114 30 10 JEEE C=C(C)COCCn1c(N2CCN(C(=O)NC)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1760361885 VMGAYYLRFREAEP-HDICACEKSA-N 477.610 2.103 30 10 JEEE C=CCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1760410483 GTEPHQUQJVBVFY-UHFFFAOYSA-N 467.578 2.338 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@]2(CCOC2)C1 1760550862 LTXMQMUOCLYVRL-LJQANCHMSA-N 484.420 2.264 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@H](C)[C@@H]1C 1760553626 GAKYZDJFRNPLHV-HOTGVXAUSA-N 456.572 2.028 30 10 JEEE O=C(C1=C(O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 1862754134 DSMGRNHEJZJHOK-HXUWFJFHSA-N 482.449 2.414 30 10 JEEE CCC[C@H](NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(=O)N1CCC(C(N)=O)CC1 1868795026 HYSZPTBDMZVBIH-RBUKOAKNSA-N 459.616 2.034 30 10 JEEE C[C@H]1CN(Cc2cc(=O)c(OCc3ccc(C#N)cc3)cn2CCN2CCOCC2)C[C@@H](C)O1 1870348238 PHFXVUNSPJZFGY-OYRHEFFESA-N 466.582 2.240 30 10 JEEE C=CCN=c1nc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)[nH]c(=Nc2ccc(F)c(F)c2)[nH]1 1871684783 ITQDGECJDILTSS-UHFFFAOYSA-N 481.507 2.386 30 10 JEEE C=CCn1c(C(=O)NCCc2ccc(OC)cc2)cc2c(N3CCN(C(C)=O)CC3)ncnc21 1873593848 JFOFYPPJWLIYQY-UHFFFAOYSA-N 462.554 2.267 30 10 JEEE N#CC1(C(=O)Nc2c(I)ncnc2I)CCC1 2008292483 YURNRXKWLYGWOH-UHFFFAOYSA-N 454.009 2.318 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N1CC[C@@H](CO)[C@@H](NC(=O)OC(C)(C)C)C1 2060134558 AQLCOEJAAWKQCG-BBWFWOEESA-N 454.568 2.308 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CCN(C(=O)OCc3ccccc3)C2)n1 2255635800 LNUUJXRFYPWHEE-SFHVURJKSA-N 468.363 2.343 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1COCCN1C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2255707857 BTADYAMDEKNMBB-AWEZNQCLSA-N 452.382 2.413 30 10 JEEE CC(C)(C)OC(=O)NCC[S@](C)(=O)=NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2255754317 XVIKUAUIZIRFFP-PMERELPUSA-N 494.466 2.359 30 10 JEEE CC(C)(C)OC(=O)N[C@]1(CNC(=O)c2ccsc2B2OC(C)(C)C(C)(C)O2)CCOC1 2255808499 KICUAOZSAMUFOO-NRFANRHFSA-N 452.382 2.461 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](O)CN1C(=O)c1csc(B2OC(C)(C)C(C)(C)O2)c1 2255849660 CBSWYJGWPXRNNT-CABCVRRESA-N 452.382 2.147 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CN(c2nccc(B3OC(C)(C)C(C)(C)O3)c2F)CC[C@@H]1CO 2266058081 COQVRCYUMLMCBE-ZBFHGGJFSA-N 451.348 2.232 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@@H](NC(=O)c3ccsc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2267243845 BIUDYWXRTBACML-OAGGEKHMSA-N 464.393 2.411 30 10 JEEE Cc1ccc(S(=O)(=O)N[C@@H]2C[C@H]2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2267703952 FSBZJPNJQLXFAQ-DOTOQJQBSA-N 466.409 2.486 30 10 JEEE C[C@H](NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1)C1CN(C(=O)OC(C)(C)C)C1 2267706447 YXYDGQGHOBZRDO-ZDUSSCGKSA-N 487.453 2.117 30 10 JEEE COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)O 2268641654 BXTCFFDWSHGTTD-SUMWQHHRSA-N 450.341 2.207 30 10 JEEE C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1F 2268647003 MFTKQPQNXMETTE-ZBEGNZNMSA-N 456.295 2.477 30 10 JEEE CC(C)[C@@H]1[C@@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)CCN1C(=O)OC(C)(C)C 2268718115 ORQYRRQKCFADSQ-UONOGXRCSA-N 466.413 2.479 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@@H]1CN(CCO)C(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2282024548 CLQYKAGEQWPFHA-OAHLLOKOSA-N 481.424 2.276 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)CC23CC3)n1 2282049821 FPZHKYVBFPMERI-INIZCTEOSA-N 460.384 2.239 30 10 JEEE CN(C[C@@H]1CCCCN1Cc1ccccc1)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282191245 MMTVIJSUBZYKIT-IBGZPJMESA-N 453.396 2.241 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](O)CN(C(=O)c2c(F)cccc2B2OC(C)(C)C(C)(C)O2)C1 2282467191 IPXCJYXEPKBDEC-LSDHHAIUSA-N 464.343 2.225 30 10 JEEE CO[C@@H]1C[C@@H](CNC(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)N(C(=O)OC(C)(C)C)C1 2282514211 ABISKDQANWKXOD-JKSUJKDBSA-N 461.368 2.135 30 10 JEEE Cn1ncc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C2CC2)c1B1OC(C)(C)C(C)(C)O1 2282538617 IMYNKLVTWUDTDZ-DLBZAZTESA-N 460.384 2.237 30 10 JEEE Cc1ccnc(C(=O)N2CC[C@H](NC(=O)C(F)(F)F)C[C@H]2C)c1B1OC(C)(C)C(C)(C)O1 2282567642 QPVQYFBUAHOCGW-KGLIPLIRSA-N 455.286 2.361 30 10 JEEE CS[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)c(C)nn1C 2282573822 GEDYMCLGOVLDDR-HUUCEWRRSA-N 480.440 2.108 30 10 JEEE Cc1c(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC2(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282595370 SUAWQTHHJAVPCX-HNNXBMFYSA-N 462.400 2.403 30 10 JEEE C[C@H]1C[C@H](CNC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2283054895 ALBQZEMCSZEOCJ-JKSUJKDBSA-N 460.384 2.399 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1COC[C@H]1C(=O)N1Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C1 2283973299 UOKISXDQVSWSJV-MOPGFXCFSA-N 458.364 2.368 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)sc1CNC(=O)[C@H](F)C1(O)CN(C(=O)OC(C)(C)C)C1 2284061184 BMWBOCPRNUUCID-INIZCTEOSA-N 484.399 2.292 30 10 JEEE CC(C)(C)OC(=O)N1CC(c2nc(=NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)c[nH]3)s[nH]2)C1 2296457376 QEQPRZLZEZCANF-UHFFFAOYSA-N 475.380 2.174 30 10 JEEE COC(=O)c1ccc([C@H]2C(=C(O)c3c(C)[nH]c(C(=O)OC)c3C)C(=O)C(=O)N2CCN(C)C)cc1 2296927094 QZFZLOLVDNWJHK-FQEVSTJZSA-N 483.521 2.188 30 10 JEEE COc1ccc(NC(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2339739322 QQIMRCYYWQUMBD-INIZCTEOSA-N 450.341 2.209 30 10 JEEE CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1COc1cc(B2OC(C)(C)C(C)(C)O2)c(F)cn1 2345741376 OZSIHRWMPXSFPB-OAHLLOKOSA-N 451.348 2.450 30 10 JEEE CC(C)(C)OC(=O)N1CC(CO)(C(=O)Nc2cc(F)c(B3OC(C)(C)C(C)(C)O3)c(F)c2)C1 2366876124 MMNVMLZBWMQWDN-UHFFFAOYSA-N 468.306 2.432 30 10 JEEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@H](CCO)COCc3ccccc3)c(F)c2)OC1(C)C 2369630301 UAEDNRLAFVMJBT-LJQANCHMSA-N 479.379 2.371 30 10 JEEE COc1cccc(/C=N/Nc2nnc(SCC(=O)Nc3ccc(C(C)=O)cc3)n2N)c1O 21319074 COUZTORJTBNXKP-LSHDLFTRSA-N 455.500 2.086 30 10 JEEE CCN1CCN(c2c(/C=C3\SC(=S)N(CCCOC)C3=O)c(C)c(C#N)c(=O)n2CC)CC1 33479022 JTRBFMNZLLGQSR-RGEXLXHISA-N 489.667 2.428 30 10 JEEE O=C1C(=O)N(CCN2CCOCC2)[C@@H](c2ccccc2)/C1=C(\O)c1ccc2c(c1)OCCO2 103916889 SYRGHROFPKMAQY-MOBKVPTQSA-N 450.491 2.212 30 10 JEEE COc1ccc(-n2c(C)cc(C=NNc3nc(N4CCOCC4)nc(N4CCOCC4)n3)c2C)cc1 252625636 QOFVCXMGCDEXQF-UHFFFAOYSA-N 492.584 2.407 30 10 JEEE CCOC(=O)[C@@H]1CCCN(c2nc(O)c3c(n2)NC(=O)[C@@H](C#N)[C@@H]3c2ccccc2OC)C1 256032459 DYAKLZFMNCWKRB-KMFMINBZSA-N 451.483 2.194 30 10 JEEE C=CCNC(=O)CN1CCN(C(=O)c2ccccc2SCC(=O)Nc2ccc3c(c2)OCO3)CC1 512714445 SGBSIODWLRXFMG-UHFFFAOYSA-N 496.589 2.206 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)[C@@H](C)[S@@](=O)CC(=O)Nc3ccc([N+](=O)[O-])cc3)cc21 586274063 JPWPZMPEHOIFCF-GSLRCMBYSA-N 471.491 2.465 30 10 JEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCc3c(C)cc(C)nc3O)nnc12 600467866 NRTNAKNBBSYRTB-UHFFFAOYSA-N 450.524 2.356 30 10 JEEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2[nH]nc3c2c(C)nn3Cc2ccc(F)cc2)cc1 915659916 HIRSVDGOQFBZFK-UHFFFAOYSA-N 466.498 2.419 30 10 JEEE COc1ccc(CNC(=O)CSc2n[nH]c(NN=Cc3c(C)nn(C)c3C)n2)cc1OC 1084337273 XSUHZTIIMKUXGN-UHFFFAOYSA-N 458.548 2.027 30 10 JEEE COC(=O)[C@@H](C)NC(=O)c1ccc(F)cc1NC(=O)C1CCN(c2oc(C)nc2C#N)CC1 1127308717 BGICEGUKIRQWPS-GFCCVEGCSA-N 457.462 2.140 30 10 JEEE C#C[C@H]1CCCCN1CC(=O)NCCN1C(=O)S/C(=C/c2ccc(OC)c(OC)c2)C1=O 1176832416 BNRWDDGQQQRTQY-TYSUYXETSA-N 457.552 2.344 30 10 JEEE Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 1208279522 BZHDLOSBOYKYGN-UHFFFAOYSA-N 457.936 2.354 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CCCc2nccs2)c1 1286309567 NJQCHRCPQMLHTE-GOSISDBHSA-N 463.567 2.375 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2C[C@H](OC)C(C)C)c1 1286311001 BYQMPJYBZGUMJR-FQEVSTJZSA-N 452.559 2.128 30 10 JEEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CC1(CC(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 1286381750 GQATUJLHCTZLJV-AUSIDOKSSA-N 464.632 2.383 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CC=CCC1 1286427481 IJVFKPAFPAJFFN-NRFANRHFSA-N 468.602 2.311 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCCOC(C)C)CC1 1286473502 NOWIJZKTDHSXLB-UHFFFAOYSA-N 459.616 2.309 30 10 JEEE C#CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@@H](COC)C1 1286496443 RKIRSSPLDTYKBR-GOSISDBHSA-N 463.991 2.080 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccccc2F)nnc1N(C)CC(=O)N1CCOCC1 1286567953 TZJLREMWKKJFAD-FDDCHVKYSA-N 473.549 2.272 30 10 JEEE C=C(Cn1c([C@H](C)OCCOC)nnc1N1CCCN(S(C)(=O)=O)CC1)c1ccccc1 1286615272 KOGNKOWLSKSNCJ-IBGZPJMESA-N 463.604 2.187 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)Oc2cccc(OC)c2)CC1 1286646608 TWGUBTFXBGZSFS-RXVVDRJESA-N 491.614 2.244 30 10 JEEE C=CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1286769754 PXPXCVOGISKAPK-UHFFFAOYSA-N 456.547 2.495 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1286779922 LJXCVUURIHTLIS-RTBURBONSA-N 499.591 2.442 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1286780435 TVRHNBBIWTVPHK-UHFFFAOYSA-N 478.395 2.033 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@@H](C(=O)NCCCC)C1 1286783296 JMRUETUNICXUCZ-LJQANCHMSA-N 482.585 2.151 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CC[C@H](C(=O)OC)C2)nnc1C1(c2ccccc2)CCC1 1286825097 LNQWYCAJAYVCND-SFHVURJKSA-N 458.584 2.348 30 10 JEEE CC(C)NC(=O)c1nnc(N(C)C[C@H](C)C#N)n1Cc1ccccc1CN1CCC[C@H]1CO 1286959842 IDVYIAMLAVECDA-NQIIRXRSSA-N 453.591 2.017 30 10 JEEE Cc1ccc(SCCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@H](C)CC#N)cc1 1289883185 CNILRHWHLMJCIZ-MJGOQNOKSA-N 478.644 2.450 30 10 JEEE CN(C)C(=O)CCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(CC#N)CC1 1297963253 CFKCQYZHAFGQGS-UHFFFAOYSA-N 487.630 2.194 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc2c(cc1OC(F)F)OCO2 1300307672 IETWACFOWHERHZ-OLZOCXBDSA-N 468.482 2.017 30 10 JEEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1300380768 HWMYVWNQOJHDNM-SFHVURJKSA-N 463.991 2.288 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1CCN1CCc2sccc2C1)[C@@H]1CCS(=O)(=O)C1 1300484889 SGGBDTBQAIMLQE-GOSISDBHSA-N 461.657 2.322 30 10 JEEE C#CCN(c1nnc(C2CCCC2)n1CCCNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1300496076 NMYRUENFTJZWOR-SFHVURJKSA-N 465.620 2.477 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1nnc2n1CCC2 1300625265 DOBDTGNRFCDZOJ-QGZVFWFLSA-N 454.579 2.438 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCO[C@@H](C)C1 1300663703 HKAXFYCVHXFBAE-ZWKOTPCHSA-N 450.543 2.093 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2Cc2ccc(S(C)(=O)=O)cc2)CC1 1300729094 NASPLQVYPHYBFV-UHFFFAOYSA-N 483.638 2.428 30 10 JEEE C#CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@](F)(C#N)C1 1300762071 GXDWGBKKZRMYGI-IERDGZPVSA-N 464.567 2.395 30 10 JEEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1301435918 ABFAAMITAPGATE-HXUWFJFHSA-N 458.632 2.139 30 10 JEEE CCOC1CC(O)(Cn2c(CNC(=O)c3cccs3)nnc2N2CCC[C@@](C)(C#N)C2)C1 1314263025 GLZNQXYCKDMXAD-QJVIICBYSA-N 458.588 2.330 30 10 JEEE CS(=O)(=O)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H]1[C@H]1CCCO1 1316344867 FNYMLBMSECVYHB-VQTJNVASSA-N 459.572 2.311 30 10 JEEE C#CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(CC(F)(F)F)CC1 1358908390 VRDPKVBDVVCXIP-UHFFFAOYSA-N 459.480 2.409 30 10 JEEE C#CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(CCOC)[C@@H](C)C1 1358910743 ZKKVZOHZYCVVLX-IBGZPJMESA-N 473.647 2.199 30 10 JEEE C#CCN(C)c1nnc(C2(c3ccccc3)CCC2)n1CCS(=O)(=O)N1CCSCC1 1358940343 VOFVMZGTHTYGQV-UHFFFAOYSA-N 459.641 2.196 30 10 JEEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1Cc1nncn1CC)[C@@H]1CCS(=O)(=O)C1 1358956113 ANBOBRGZMLAEIL-WOJBJXKFSA-N 467.599 2.106 30 10 JEEE C#CCN(c1nnc([C@@H](C)OCCOC)n1Cc1coc2ccccc12)[C@@H]1CCS(=O)(=O)C1 1358957399 UCAPTLNPCFHZGJ-IEBWSBKVSA-N 472.567 2.423 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCN1C[C@H](C)C[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1358967178 FQTLTSSVMSXQML-MXEMCNAFSA-N 463.648 2.124 30 10 JEEE C#CCN(CC)c1nnc(COc2ccc(Br)cc2)n1CCN1CCCS1(=O)=O 1359013112 LDEXNUYBQRTCBK-UHFFFAOYSA-N 482.404 2.115 30 10 JEEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1359061324 YRQBPHLAMAMPHP-QFIPXVFZSA-N 479.654 2.311 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CCO[C@H]1C 1359071251 JMJTVMYYHNJHKC-XZUXRINTSA-N 475.590 2.119 30 10 JEEE C=CCOc1ccc(Cn2c(N3CCN(C)C(=O)[C@H]3C)nnc2[C@@]2(OCC)CCOC2)cc1 1359308645 UVJYKMIKPJUDNR-HOYKHHGWSA-N 455.559 2.210 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1359333901 NKKNSUPWGWXTIR-PMACEKPBSA-N 479.672 2.078 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCc3c(cccc3N3CCOC3=O)C2)ccc1F 1445056333 RAUORGWRFATWID-UHFFFAOYSA-N 459.499 2.445 30 10 JEEE COC(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCCO[C@@H](C)C2)C1 1503862321 FLOUOVWEMJYVMT-RXVVDRJESA-N 452.559 2.317 30 10 JEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 1507588370 LFFHAUODVMSAOH-IRXDYDNUSA-N 451.593 2.087 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCc1ccc(C)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1507632079 JBOMPNDFTVCVIW-SFTDATJTSA-N 472.611 2.359 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CC1(O)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1507640362 QJGABGPPRVWOQO-LJQANCHMSA-N 476.574 2.318 30 10 JEEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1Cc1cc(C)no1)[C@H]1CCS(=O)(=O)C1 1507640411 RYCAJYNDIMTIBC-IBGZPJMESA-N 469.567 2.445 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnccn3)n2CC(=C)Br)n1 1507717020 PTQAXHQAVLXOPR-UHFFFAOYSA-N 457.336 2.126 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCSCC=C)CC1 1507739827 VFECYJPMWNOBHA-UHFFFAOYSA-N 494.669 2.337 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(Br)cn2C)nnc1N1CCN(C(=O)NC)CC1 1507797761 QGSAUDAPPOGCFV-YJBOKZPZSA-N 492.422 2.489 30 10 JEEE C=CCCOCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](CNC(C)=O)C1 1507965475 GRTHBDRKAAQZPK-UXHICEINSA-N 492.621 2.284 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCOC2)n1C[C@H]1CCCN1S(C)(=O)=O 1507997854 YTMXTKHBINGOHO-WOJBJXKFSA-N 475.615 2.407 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 1508085530 GXUNFALOVZKYOQ-IAGOWNOFSA-N 479.368 2.416 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)Cc1ccon1 1508091630 VXGDSEKAOIRKTD-INIZCTEOSA-N 459.551 2.319 30 10 JEEE CC(=O)N1CC[C@H](CN(C)c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2OCC[C@H]2C)C1 1508204394 UACMHCHLCSYARX-NQSCKRDGSA-N 452.559 2.458 30 10 JEEE CC(C)c1nc([C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CC(=O)NCC(F)F)CCO2)no1 1508888255 HPLXWIBZZLZLGO-MRXNPFEDSA-N 486.483 2.282 30 10 JEEE C[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1)N(C)C 1510074654 AABVRZYTYMQKMV-QGZVFWFLSA-N 471.009 2.202 30 10 JEEE CCCN(C)C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCN(C(C)=O)CC2)C1 1514615455 GMCXFPRFDFCROO-QHCPKHFHSA-N 478.645 2.149 30 10 JEEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)CCO1 1517533295 ALLFHANRPZGGCS-APWZRJJASA-N 483.573 2.023 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CCOc1ccc(S(C)(=O)=O)cc1 1539029041 GXPYLIGEOKSFTK-MRXNPFEDSA-N 487.607 2.210 30 10 JEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1cnccc1OC 1539237449 DHQAMVDZLFTARO-UHFFFAOYSA-N 463.567 2.071 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2Cc2ccc(S(C)(=O)=O)cc2)CC1 1539469768 VANKUAYKAFZBQT-KRWDZBQOSA-N 457.600 2.209 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2c(Cl)c(C(F)(F)F)nn2C)CC1 1539489274 KKNUCRYRGLCDFU-UHFFFAOYSA-N 487.914 2.234 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCS(=O)(=O)NC 1539682213 SPOCTVIFNNNOHG-IYBDPMFKSA-N 456.613 2.000 30 10 JEEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1539823399 BSKSTHNJKSOCRX-ICSRJNTNSA-N 469.030 2.135 30 10 JEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1540005638 MYAFOPZHTCDUDT-DLBZAZTESA-N 459.563 2.449 30 10 JEEE C=CCN(C)c1nnc(CNC(=O)c2cccs2)n1Cc1cccc(CS(C)(=O)=O)c1 1540083969 JKBJSIBWHLDCJI-UHFFFAOYSA-N 459.597 2.485 30 10 JEEE C=CCN(c1nnc(COc2ccc(Cl)cc2)n1C[C@]1(O)CCS(=O)(=O)C1)C1CC1 1540115903 KQJJSHMDIKGHPP-HXUWFJFHSA-N 452.964 2.215 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(F)c(F)c1F 1540201157 OWAAYAUPTHVUNR-HNNXBMFYSA-N 458.506 2.479 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1540866708 XOOGRDRBJWHAHS-KRWDZBQOSA-N 467.965 2.191 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1540905202 RMTIUMYSOMMYFW-GWTOYCKXSA-N 466.554 2.345 30 10 JEEE C=CCC1(C(=O)N2CCN(S(=O)(=O)c3cc(S(C)(=O)=O)ccc3C)CC2)CCCC1 1541100879 HHQGKOCTXHYBRV-UHFFFAOYSA-N 454.614 2.368 30 10 JEEE COc1ccc(-n2ccc(CNC(=O)C[C@H](C)/N=C3/NS(=O)(=O)c4ccccc43)n2)cc1 1543860501 FFOJYWQXXNLLJD-HNNXBMFYSA-N 453.524 2.014 30 10 JEEE C[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1544157104 GYTAYFZABIUJLJ-MJGOQNOKSA-N 458.588 2.247 30 10 JEEE CNC(=O)[C@H]1CN(C(=O)CCc2c(C)nn(C)c2C)CCN1c1ccc(C#N)c(C(F)(F)F)c1 1548367736 KGKOTIDRENEELY-HXUWFJFHSA-N 476.503 2.323 30 10 JEEE CNC(=O)[C@H]1CN(C(=O)c2ccn(C)n2)CC12CCN(c1ccc(C#N)c(C(F)(F)F)c1)CC2 1548375235 FLGJJHIUTAANEA-GOSISDBHSA-N 474.487 2.415 30 10 JEEE CN(C)C1(Cn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N2CC[C@@](F)(C#N)C2)CCC1 1552795023 GRINYPCMPIIHPO-OAQYLSRUSA-N 475.594 2.122 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cccc(C(N)=O)c1 1587638309 CUPRRAZOCONCLS-VQIMIIECSA-N 468.558 2.192 30 10 JEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)Nc2ccc(C)cn2)CC1 1587705295 AKTFLGQVYZEJMI-GOSISDBHSA-N 487.630 2.250 30 10 JEEE C#CCCCCn1c(N2CCN(CC(=O)N3CCCC[C@H]3C)CC2)nnc1[C@]1(OCC)CCOC1 1587792852 BWEOLGPSFNFKLP-GJZUVCINSA-N 486.661 2.257 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H](C)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1588046086 WZTZDGOZEFBIKG-IEBWSBKVSA-N 473.599 2.031 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCc1cc(C(F)(F)F)ccn1)[C@@H]1CCS(=O)(=O)C1 1588055270 UQGPTJJUYAKMAD-CRAIPNDOSA-N 483.516 2.065 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCN(C)C1CCCC1 1588098853 BVWJUVLILXJRBR-UHFFFAOYSA-N 468.627 2.143 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2COc3ccccc3O2)n1CC1(O)CCN(C(C)C)CC1 1588233230 DRINAJIOESFOOA-QHCPKHFHSA-N 463.582 2.489 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OCCCC)c(OC)c3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1588791332 SLLKZBUGSOZNFR-IBVKSMDESA-N 483.613 2.428 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC2(OC)CCCCC2)CC1 1588891158 LZTZDGSKUPJJRE-RUZDIDTESA-N 473.618 2.245 30 10 JEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1588984225 GQUIPSBAUNQCEC-KRWDZBQOSA-N 470.624 2.420 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCS(=O)(=O)CC1 1589568212 HSYXANQULYYRIP-UZLBHIALSA-N 450.536 2.212 30 10 JEEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCS[C@H](C)[C@H]1C 1595545387 WXXLOYFWZYPRNB-IAGOWNOFSA-N 456.620 2.085 30 10 JEEE C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@@H](CCC(=O)OC(C)(C)C)Cc3ccccc32)C1=O 1596135994 ZLXWOXGDFHLHEF-INIZCTEOSA-N 455.511 2.291 30 10 JEEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCOCC(F)F)[C@@H](C)C1 1596250746 VVKOVLHKYUOPRB-INIZCTEOSA-N 462.501 2.458 30 10 JEEE CC(=O)NCCN(Cc1ccsc1)c1nnc(-c2cccc(C#N)c2)n1Cc1ncn(C)n1 1596769081 GRDFOUWSQZMIGR-UHFFFAOYSA-N 461.555 2.198 30 10 JEEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)C[C@@H]1CCCN1C(=O)OCc1ccccc1 1622324823 BDCVYVUXCQTGTC-IBGZPJMESA-N 450.557 2.394 30 10 JEEE CC(C)(COc1ncc(Cl)cc1Cl)NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1636616368 ABYARSWXBZLHTE-UHFFFAOYSA-N 457.339 2.401 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(CCOC)CCC2)c1 1689872051 NEHJRYQNAQNPGC-FQEVSTJZSA-N 499.637 2.443 30 10 JEEE C#CCCCn1c(COc2cccc(C)c2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1689937235 SUFWCIGNHOURBB-DEOSSOPVSA-N 450.543 2.393 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H]1SCCc2ccccc21)[C@@H]1CCS(=O)(=O)C1 1689977760 CCZLWDYSNYZURL-UYAOXDASSA-N 487.651 2.074 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1C[C@@](C)(O)c1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 1689994075 QPORHXKNOFGIBD-SIKLNZKXSA-N 463.003 2.418 30 10 JEEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1Cc1cccc(N2CCCC2=O)c1 1690106019 HQNKRSNYIUOZQV-UHFFFAOYSA-N 461.570 2.401 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2C[C@@](C)(O)C(C)C)CC1 1690140232 RBADZXSUZHJOOQ-RUZDIDTESA-N 467.570 2.089 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1CCOc1ccc(S(C)(=O)=O)cc1 1690190172 NBHSMVCVZDNWFB-XMMPIXPASA-N 494.577 2.400 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1690237883 BTNVKNBJFLHDAN-SXLOBPIMSA-N 490.586 2.353 30 10 JEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc2c(c1)OCCO2 1690508609 LWUYPIPRXWETTA-SFHVURJKSA-N 462.572 2.181 30 10 JEEE C[C@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(N2CCOCC2)c1 1690993293 HYCNWKUHWZVCFY-GOSISDBHSA-N 460.542 2.406 30 10 JEEE CS(=O)(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCC(F)(F)C2)CC1 1698312172 BXEUHBBVHUINIF-QGZVFWFLSA-N 480.541 2.246 30 10 JEEE C#C[C@H](C)N(C)c1nnc(CSc2ccccc2OC)n1C[C@H]1CCN(S(C)(=O)=O)C1 1705506389 XCPKEMIWNPPRCU-IRXDYDNUSA-N 463.629 2.318 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CCCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1705558573 BGKLZJWWGZEGCQ-OAHLLOKOSA-N 463.526 2.166 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@H]1CCCN1CC)[C@H]1CCS(=O)(=O)C1 1705563689 CQVNVQARUUJRIX-MOPGFXCFSA-N 457.600 2.065 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1CN1CCCCC1 1705583153 RNBPNQPZFCCJLK-HSZRJFAPSA-N 465.623 2.287 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC(=O)NCC(F)(F)F 1705595654 APUWOOLNVNINJJ-UHFFFAOYSA-N 499.497 2.377 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)cc1O[C@H]1CCOC1 1705598148 CFDYXWHGHNTVQW-YADHBBJMSA-N 482.606 2.168 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccccc3Cl)n2CCCN2CCC[C@H]2C(=O)N(C)C)CC1 1705636963 DJOKPMOMMMCQTN-QFIPXVFZSA-N 484.048 2.296 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](c2c(F)cccc2F)N(C)C)CC1 1705649071 JFZPBARFBHXWAG-OAQYLSRUSA-N 496.566 2.226 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2C[C@H]2CCOC[C@@H]2OC)CC1 1705651059 IGJBATJRQDKQQU-KNQAVFIVSA-N 485.560 2.014 30 10 JEEE C#CCSCCn1c(-c2cccc(Br)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1705655037 BOXFRSQLYVYZIA-NVXWUHKLSA-N 479.400 2.434 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCS(=O)(=O)c1ccccc1 1705674405 ILEKKZMEKHGNEQ-XMSQKQJNSA-N 476.624 2.036 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H](OCC)C(C)C 1705674462 JOLKBFKWYCAXLM-WOIUINJBSA-N 467.636 2.054 30 10 JEEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1705729476 ZJDZMNQMSYBAAG-QHCPKHFHSA-N 456.547 2.292 30 10 JEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](CC)NC(=O)OC(C)(C)C)C1CC1 1705853479 BNEKPMQGTQMOPQ-SJLPKXTDSA-N 498.650 2.069 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H](c2ccco2)C1 1705896038 ACVWLHLMLVPNOD-SFHVURJKSA-N 484.582 2.085 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1705906554 IQMADXOZNPYVFB-YADARESESA-N 455.559 2.160 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](c2cccc(F)c2)C1 1705927965 JQQSPJFOSINGLH-GOSISDBHSA-N 461.563 2.248 30 10 JEEE COc1ccc(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(CC#N)CC2)c(OC)c1 1711811106 GPUHTQIJPCOOKT-INIZCTEOSA-N 476.603 2.278 30 10 JEEE N#CCC1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCCCS2(=O)=O)CC1 1712886056 HBUNJDKFQCMINZ-QGZVFWFLSA-N 457.560 2.023 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1CCn1cc(Cl)cn1)[C@H]1CCS(=O)(=O)C1 1722371963 NNXDXYOXDVEKRR-FQEVSTJZSA-N 473.002 2.240 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCCn1ccnc1C 1722374672 AGGGAIDHDLRRHJ-UHFFFAOYSA-N 450.568 2.407 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCCCSC)CC1 1722443020 MNTZJOLLLTYSIF-UHFFFAOYSA-N 479.614 2.030 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2CC(=O)NC2CCCCC2)CC1 1722445251 NEJLTFIEJYREDR-UHFFFAOYSA-N 466.561 2.499 30 10 JEEE C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC1CC1)C1CCC1 1722483930 FEUABDIWRRGVST-INIZCTEOSA-N 474.425 2.289 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C2CC2)nnc1N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 1722506480 MQVXVPSDIJUFGB-AABGKKOBSA-N 467.636 2.014 30 10 JEEE C=CCCOCCn1c(-c2ccc3ccccc3n2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1722625814 YRGQPJZTVZGRRH-WIYYLYMNSA-N 451.527 2.446 30 10 JEEE C=CCn1c(-c2cc(Br)cn2C)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1722682549 RWVYHBRVMHQJOR-IBGZPJMESA-N 462.352 2.047 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CC[C@H](OCCOC)C1 1722688732 KBQJMMHIWSXBMN-KRWDZBQOSA-N 464.364 2.252 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CCN(CC(F)F)CC1 1722688994 PASAQJPTWFCPQV-UHFFFAOYSA-N 455.513 2.491 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(c2ccnc(C)n2)CC1 1722695482 FCRCVXUPDUQSJN-UHFFFAOYSA-N 482.976 2.334 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1722695487 FMEDESCUAIWALF-AWEZNQCLSA-N 455.943 2.053 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 1722727065 LBVPXIYQIGUEFO-UHFFFAOYSA-N 453.609 2.497 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1722732056 UGVKIZSSOXYXDC-ICSRJNTNSA-N 470.599 2.002 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCn2cncn2)C1 1722992058 FYABSLNCSRKKNX-GOSISDBHSA-N 463.546 2.459 30 10 JEEE COc1cc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)[C@@H](C)CC#N)c2ccccc2n1 1729983158 CBUFXRGUDIYCRI-LSDHHAIUSA-N 457.560 2.232 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](CC)N1CCc2ccccc2C1 1740553008 QHXYRACXTRCGCE-NYVOZVTQSA-N 455.628 2.475 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H](C(C)C)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1740622889 KHFWCYLFEULNEZ-ACRUOGEOSA-N 463.648 2.267 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@H]1CCCN(CC(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1740624549 IADZSROGFOQVFQ-JTHBVZDNSA-N 484.670 2.259 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccc(C)cc1OCC)[C@@H]1CCS(=O)(=O)C1 1740626607 MHYSKOGGISGMFK-VQTJNVASSA-N 458.584 2.164 30 10 JEEE C#CCN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1740663442 JFPJFJRQXIGMBS-CYFREDJKSA-N 468.606 2.279 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCC2(O)CCOCC2)CC1 1740707728 NOHAFMXLIIJXGC-UHFFFAOYSA-N 495.624 2.371 30 10 JEEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1740715011 QJKCKTTWCRKWPM-HXUWFJFHSA-N 469.659 2.173 30 10 JEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2cccc(C(=O)N(C)C)c2)CC1 1740833695 WHHWUVBMXIZMII-KRWDZBQOSA-N 474.631 2.235 30 10 JEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2ccco2)C1 1740863374 WHHKUCKCXCEVET-OALUTQOASA-N 465.576 2.138 30 10 JEEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1CCCCS1(=O)=O 1740892831 NVJUMUHETXWYNL-MRXNPFEDSA-N 466.633 2.136 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1740991576 ZSOSNRLWWKVYIQ-SFHVURJKSA-N 486.660 2.058 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@@H](CC)C1 1740994707 VFZCOEUVGDEJOV-HKUYNNGSSA-N 459.572 2.333 30 10 JEEE C=CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1C[C@H](OC)[C@H](OC)C1 1741000453 RGKDJOWLUGGFJU-KDURUIRLSA-N 470.599 2.444 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCN1CCSCC1 1741802251 HDRMRDSFFSRJJJ-SFHVURJKSA-N 455.636 2.239 30 10 JEEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@]1(N(C)C)CCSC1 1748794660 FBSYVZDBYZDYGV-RUZDIDTESA-N 467.687 2.150 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1(N2CCOCC2)CC1 1748864157 RSHLFWFSCWLAOC-UHFFFAOYSA-N 481.000 2.189 30 10 JEEE C=C(C)COCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1749230037 SZKPTMUHYACSRQ-RBUKOAKNSA-N 489.621 2.199 30 10 JEEE C=C(Cl)Cn1c(-c2cnn(C)c2)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1749262807 XXEQKMJUUJDRRF-UHFFFAOYSA-N 461.979 2.250 30 10 JEEE C=CCCCn1c(Cc2cccnc2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1749441502 DYQRVSSUNXADPR-UHFFFAOYSA-N 465.602 2.170 30 10 JEEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCN(Cc2csc(C(C)(C)C)n2)CC1 1749726132 XSFBLHHQWLVNNG-UHFFFAOYSA-N 452.650 2.264 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(Br)cc1 1760117276 NOTAMSMZNDYATG-YJBOKZPZSA-N 496.431 2.074 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1oc2ccccc2c1C 1760117406 OKLOLJOQBAQDQQ-YWZLYKJASA-N 457.556 2.172 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OCC)CCOC3)n2CC(C)(C)OC)c1 1760126340 VOCPNCVVZMIJDE-XMMPIXPASA-N 455.559 2.411 30 10 JEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 1760144927 FARSXHSIIXRUCL-JKSUJKDBSA-N 494.021 2.205 30 10 JEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1760145523 QDFIFXMQBGDZQS-ROUUACIJSA-N 482.651 2.385 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2ccccc2F)n1CCN1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 1760181533 WZYSFQPBTMZZIZ-WOJBJXKFSA-N 487.601 2.446 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccc(N(CC)CC)nc1)[C@H]1CCS(=O)(=O)C1 1760183190 OZHSITITJZCHHN-IBGZPJMESA-N 458.632 2.492 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H](C)N(C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1760187179 IPCHXMXDAMDTQK-SJBKTWHCSA-N 471.627 2.324 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1ccccn1)[C@@H]1CCS(=O)(=O)C1 1760192054 DHTHMCHCFNJHNU-NJDAHSKKSA-N 471.627 2.461 30 10 JEEE C#CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(CC(=O)NCC)CC1 1760277066 YPYRFLYQUIWEDF-UHFFFAOYSA-N 477.034 2.232 30 10 JEEE C=C(C)COCCn1c([C@@H]2COc3ccccc3O2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1760357547 KTYVYEBECMQDJK-XLIONFOSSA-N 462.572 2.397 30 10 JEEE C=CCN(c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCS(=O)(=O)CC=C)C1CC1 1760477018 NHIWJZCJNIZRTC-SFHVURJKSA-N 481.619 2.342 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nncn1CC 1760485266 XRWPITXBPHOFFE-KRWDZBQOSA-N 459.551 2.172 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1760516068 IUOSEIPYDWKBBD-IRXDYDNUSA-N 470.549 2.354 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1760526355 LTNFWZVQUZTCER-GGAORHGYSA-N 482.629 2.323 30 10 JEEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1760527219 PEGLAUIYOXLHKY-UHFFFAOYSA-N 457.667 2.308 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3ccccc3n2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1760553219 OKLRQCVEPCVINA-PKOBYXMFSA-N 471.583 2.334 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1760553534 VHGBZQHQGYWWIA-UHFFFAOYSA-N 461.588 2.461 30 10 JEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CC[C@]2(C)[C@@H](C1)C2(Cl)Cl 1760557649 SKNOCQVATCKLGO-RDTXWAMCSA-N 476.430 2.021 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCC[C@H](OC(C)(C)C)C2)nnc1[C@]1(OCC)CCOC1 1760558772 ZJMUKUYRVZUOFX-AVRDEDQJSA-N 470.636 2.315 30 10 JEEE CCC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)NCC)CC1)OC 1763886744 HEXYEZRCRBKHGQ-FQEVSTJZSA-N 455.563 2.395 30 10 JEEE CCOc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CCOC[C@@H]2OC)cc1OC 1767548393 GSTPRRAXGFGZLH-UEXGIBASSA-N 457.531 2.133 30 10 JEEE COc1ccc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@H](NC(C)=O)C2)cn1 1768683290 GSUCWSRBHWMCRN-FQEVSTJZSA-N 461.526 2.286 30 10 JEEE CS(=O)(=O)C1(Cn2c(COc3ccccc3F)nnc2N2CC[C@](F)(C#N)C2)CCC1 1770309408 HENCTQIGOSCUEW-IBGZPJMESA-N 451.499 2.405 30 10 JEEE CN(C)c1ccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCN2CCOCC2)cc1 1862596111 RZWFJPSMABXHED-QFIPXVFZSA-N 451.523 2.369 30 10 JEEE COc1ccc(N2C[C@@H](C(=O)Nc3c(C#N)nnn3-c3cccc(NC(C)=O)c3)CC2=O)cc1 1870160170 ZBTLQUUTQMAQFE-HNNXBMFYSA-N 459.466 2.098 30 10 JEEE COCCNC(=O)COc1cn(CCN(C)C)c(CSc2nc(C)c(C)c(C)c2C#N)cc1=O 1870288531 CBTIQRHSOCRJQG-UHFFFAOYSA-N 487.626 2.036 30 10 JEEE C=CCn1cc(OCC(=O)Nc2sc3c(c2C#N)CCC3)c(=O)cc1CN1CCC(C(N)=O)CC1 1870324387 IZEYOPDFFJKDAT-UHFFFAOYSA-N 495.605 2.171 30 10 JEEE C=CCn1cc(OCC(=O)NCCOC)c(=O)cc1CN1CCN(c2ccccc2Cl)CC1 1870520887 CRYYEYXPPFJKGQ-UHFFFAOYSA-N 474.989 2.151 30 10 JEEE C=CCNC(=O)[C@H](Cc1ccccc1)NC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 1873841085 LCBWILBRIQRSQU-QHCPKHFHSA-N 469.607 2.425 30 10 JEEE CC(=O)NCc1nnc(SCC(=O)NC2CCCCC2)n1/N=C/c1ccc([N+](=O)[O-])cc1 1874434151 QENPYWLLZVBPFB-SSDVNMTOSA-N 459.532 2.246 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@]2(NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2255751747 CFAOLYBXRFOHJC-XCLFUZPHSA-N 470.422 2.335 30 10 JEEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)[C@H]2C[C@H]21 2255752596 KOLXWDYMUIYZCC-CABCVRRESA-N 470.422 2.430 30 10 JEEE C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccc(B2OC(C)(C)C(C)(C)O2)s1 2256622160 CWJDFRLOQVHBMV-BBRMVZONSA-N 454.398 2.280 30 10 JEEE Cc1csc(CNC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)O)c1B1OC(C)(C)C(C)(C)O1 2256625799 BUPMNKCDDSAJKV-CZUORRHYSA-N 454.398 2.246 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@H](CCNC(=O)c2occc2B2OC(C)(C)C(C)(C)O2)C1 2267177725 RWELBCLUAAYZMB-HNNXBMFYSA-N 450.341 2.335 30 10 JEEE C=C(CS(=O)(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1CO)B1OC(C)(C)C(C)(C)O1 2267724735 OFCIXGORRJRXTL-IAGOWNOFSA-N 474.429 2.101 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)Nc1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)n1 2268642005 CXVUTDUXOHUTBB-OCCSQVGLSA-N 467.759 2.343 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CC(C(=O)NCc2ccc(B3OC(C)(C)C(C)(C)O3)s2)=C[C@@H]1O 2268716360 UKQRIPJRBNNDAA-CVEARBPZSA-N 464.393 2.248 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@H](C)[C@H](NC(=O)C(F)(F)F)C2)n1 2282038911 OOPQUVPGIXXSBR-SWLSCSKDSA-N 455.286 2.218 30 10 JEEE Cc1cccc(C(=O)N2C[C@H](O)C[C@H]2CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2282124478 JJQWMZKWXWSCDK-DLBZAZTESA-N 460.380 2.394 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](O)CN(C(=O)c2cc(F)ccc2B2OC(C)(C)C(C)(C)O2)C1 2282398900 GWLMUMJHWPZURR-JKSUJKDBSA-N 464.343 2.225 30 10 JEEE CC1(C)OB(c2ccc(C(=O)NC[C@@]3(O)CCN(Cc4ccccc4)C3)c(F)c2)OC1(C)C 2282399457 OCCQQVGNWRKNKW-VWLOTQADSA-N 454.351 2.492 30 10 JEEE Cn1ncc(C(=O)N2C[C@H]3[C@@H](NC(=O)OC(C)(C)C)CC[C@H]3C2)c1B1OC(C)(C)C(C)(C)O1 2282568516 DEQUNXFLHHWTOO-UAGQMJEPSA-N 460.384 2.095 30 10 JEEE C[C@H]1CN(C(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)C[C@]1(C)CNC(=O)OC(C)(C)C 2282569644 USFMNBNQERXJRA-WNSKOXEYSA-N 462.400 2.342 30 10 JEEE CC(C)[C@@H](C)[C@@H](CNC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2282611609 NIOHUKFZVCQDER-HUUCEWRRSA-N 465.404 2.030 30 10 JEEE Cn1nc(C(=O)N2CCC[C@H](CCNC(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2282628896 QOPJUQCKRKBGIO-MRXNPFEDSA-N 462.400 2.486 30 10 JEEE CN1CCC(CNC(=O)OC(C)(C)C)(NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)CC1 2282633072 SXWUXKHSTSSQJO-UHFFFAOYSA-N 463.384 2.298 30 10 JEEE C[C@@H]1C[C@H](NC(=O)C(F)(F)F)CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2O)C1 2282974150 FPXYFDHMDONSSV-OCCSQVGLSA-N 456.270 2.221 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H]([S@@](C)(=O)=NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2283063033 QHYGOVICMDTSEM-RPLXOIEJSA-N 480.396 2.023 30 10 JEEE CC(C)(C)OC(=O)N(CCO)CC(=O)N1CCc2c(cccc2B2OC(C)(C)C(C)(C)O2)C1 2283967715 GRPDKQCXQYMGBU-UHFFFAOYSA-N 460.380 2.100 30 10 JEEE Cc1cc(NC(=O)[C@H](CCC(N)=O)NC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2284036477 BLGNTODIFOBHFV-KRWDZBQOSA-N 461.368 2.392 30 10 JEEE CC(C)(C)OC(=O)NCC[C@H](O)C(=O)NCCc1c(F)cccc1B1OC(C)(C)C(C)(C)O1 2289664666 MGSBDTIDWXMMAS-SFHVURJKSA-N 466.359 2.059 30 10 JEEE Cc1nn(C)c(C)c1C(O)=C1C(=O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1ccccc1F 2296611979 DGFHVRHQTPNOCV-OAQYLSRUSA-N 456.518 2.320 30 10 JEEE CC(C)N1C[C@H](c2nnc(SCCCO)n2N=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1=O 2329045377 ZDFOJCYMLWSWCK-OAHLLOKOSA-N 490.542 2.039 30 10 JEEE N#Cc1nnn(Cc2cc([N+](=O)[O-])cc3c2OCOC3)c1NC(=O)c1ccc(C=CC(=O)O)cc1 2332154817 KINSLRSJIWIAHS-UHFFFAOYSA-N 476.405 2.323 30 10 JEEE CS[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nc(C)n1C 2362480589 KRAZWRQAMOIMLF-HUUCEWRRSA-N 480.440 2.108 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C2)n1C 2362491823 HRCHMPYFHYSEHK-HNNXBMFYSA-N 462.400 2.403 30 10 JEEE COc1ccc(OC)c(NC(=O)CSc2nnc(N/N=C/c3ccccc3OC)n2N)c1 21319885 MKKVVFGUOYSFMH-SSDVNMTOSA-N 457.516 2.195 30 10 JEEE CCN/C(=N\CCCO)S[C@@H]1CC(=O)N(c2ccc(I)cc2)C1=O 105615133 IEUFUDMGYRLVAG-CYBMUJFWSA-N 461.325 2.004 30 10 JEEE Nn1c(NN=Cc2cccc(Br)c2)nnc1SCC(=O)NCc1ccco1 1083928654 XUYVAVGEXXKIOU-UHFFFAOYSA-N 450.322 2.202 30 10 JEEE CC(=NNc1nc(Sc2nc3c(=O)n(C)c(=O)n(C)c3[nH]2)n[nH]1)c1ccc2ccccc2c1 1084088352 RXEZZZUCKXRRPJ-UHFFFAOYSA-N 461.511 2.219 30 10 JEEE COc1cc2c(cc1OC)CN(C(=O)CSc1n[nH]c(NN=Cc3ccncc3)n1)CC2 1084428111 FLQYKJAQXKTRSW-UHFFFAOYSA-N 453.528 2.340 30 10 JEEE C=CCC1(O)CCN(C(=O)C2CCN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)CC2)CC1 1155857980 OUBQLHFICFNDEV-UHFFFAOYSA-N 451.545 2.234 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NS(=O)(=O)c2cccc(Br)c2C#N)C1 1211464097 IEIATLIJIITQIA-RISCZKNCSA-N 455.334 2.358 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@](O)(c1ccccc1)C(F)(F)F 1286299744 YMGULISBHNLMTO-YZVOILCLSA-N 456.490 2.088 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2CC[C@H]2C[C@H](F)C2)c1 1286310627 ZZWCNIPDHBTNLG-SZMVWBNQSA-N 476.578 2.083 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCSC(CC)(CC)C1 1286351529 FEMROEPXEYSYRE-KRWDZBQOSA-N 455.650 2.136 30 10 JEEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@H](C)CN1CCOCC1 1286369753 VWSHGPJKSGMDAV-IBGZPJMESA-N 463.586 2.103 30 10 JEEE C#CCN(c1nnc(C2(c3ccccc3)CCC2)n1CCC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1286383182 LONMIFGROQFNRS-NRFANRHFSA-N 483.638 2.290 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@](C)(O)[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1286387738 UUTVHQZOGBAXHM-IXFSTUDKSA-N 460.600 2.378 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@H](OCC)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1286389907 SJJSERZEDSIRES-SFTDATJTSA-N 468.583 2.083 30 10 JEEE C#CCN(c1nnc(CCCc2ccccc2)n1C[C@@H]1CCN(CC)C1)[C@@H]1CCS(=O)(=O)C1 1286393539 QOPBWKLADIZXSX-DHIUTWEWSA-N 469.655 2.422 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@@H]2COCCO2)CC1 1286474417 JCYIYROPWOQZBQ-MRXNPFEDSA-N 464.339 2.017 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](OCc2ccccc2)C1 1286509217 OBXRCGOCOKVQSF-VQTJNVASSA-N 460.625 2.342 30 10 JEEE C=C1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCOCCOC)CC1 1286646945 YHLHPELWNIQODO-GOSISDBHSA-N 451.568 2.406 30 10 JEEE C=CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1286700232 GCLNNYHOXANCMX-OAHLLOKOSA-N 457.560 2.078 30 10 JEEE C=CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1286774342 JKLKRVXRNCTNGI-FQEVSTJZSA-N 487.649 2.323 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)C[C@@H]1c1cccc(OC)c1 1286786994 ABWIBDSLUWKVAI-YVWKXTFCSA-N 473.599 2.079 30 10 JEEE C=CCNC(=O)Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCO[C@@H](C#N)C1 1286791299 XUCCELUOMUVHMM-SFHVURJKSA-N 458.950 2.283 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 1286820644 ORBDRVFEQDASFX-IBGZPJMESA-N 489.646 2.013 30 10 JEEE CN(C[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCO2)C1)S(C)(=O)=O 1298547693 GWOTWJSVGAHUGO-ICSRJNTNSA-N 458.588 2.104 30 10 JEEE CO[C@@H](Cc1ccccc1)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1299587904 DYEDNINAPMJXNK-QFIPXVFZSA-N 488.596 2.267 30 10 JEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCc1ccccc1F 1300365159 QNJGRKAJYHAVGC-HXUWFJFHSA-N 463.579 2.233 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1300479918 VFBTTWFDEVZISP-FHWLQOOXSA-N 465.664 2.090 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccnc1OC1CCCC1 1300539134 YWZAWNZIEVVSNY-IBGZPJMESA-N 453.568 2.018 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cc(F)ccc1N1CCOCC1 1300554060 ZBBFGNNFWJHDGP-CVDCTZTESA-N 467.545 2.099 30 10 JEEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1Cc1ccc(S(C)(=O)=O)cc1 1300587358 TYDNWJKKALQEKZ-UHFFFAOYSA-N 472.574 2.431 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCC(=O)N[C@H](C)CC)CC1 1300685079 FVMVHCPYBPOUQK-OAHLLOKOSA-N 462.396 2.096 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1300891555 ZKTRXCLTVOEYEH-LSWJPFSZSA-N 457.550 2.331 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)CC2CCCCC2)CC1 1300992362 XAGJLMRWODYYPP-FQEVSTJZSA-N 458.607 2.441 30 10 JEEE C=CC[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)NCC)CC1)c1ccccc1 1301162880 FAHJUAVNVDDREU-QFIPXVFZSA-N 479.629 2.132 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(COc3ccccc3F)n2CC2(S(C)(=O)=O)CC2)C1 1301566774 RVBAVSHVGNVQGZ-INIZCTEOSA-N 450.536 2.355 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(C(=O)NC(C)C)n1C[C@H]1CCC[C@@H](O)C1 1301772064 CQTLSQNTRCRAKO-LEWJYISDSA-N 454.575 2.492 30 10 JEEE CN(CC(C)(C)CN1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1CCCn1ccnn1 1314713275 DKFDCYVZSGLBHG-UHFFFAOYSA-N 463.590 2.293 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CCCCS1(=O)=O 1358900413 JWBHZKZPERGLAA-WNRNVDISSA-N 465.620 2.474 30 10 JEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 1358904259 AOEPGANYDGTCMO-GOSISDBHSA-N 464.636 2.063 30 10 JEEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1CC[C@H]1C[C@H](F)C1)[C@H]1CCS(=O)(=O)C1 1358966229 KCEDYSJNPDHEJE-ULQDDVLXSA-N 479.603 2.035 30 10 JEEE C#CCN(CC)c1nnc(COc2ccc(Cl)cc2)n1CCS(=O)(=O)N1CCSCC1 1359013860 NZMUUVAHNUSGGZ-UHFFFAOYSA-N 484.047 2.349 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCc2c[nH]nc2C)CC1 1359030723 CUYUPMKNANOBOU-UHFFFAOYSA-N 457.380 2.455 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3OCC)n2CCN2CCC[C@H]2C)CC1 1359039695 RXGVGEPBCYHQHH-OAQYLSRUSA-N 452.603 2.495 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCn2cc(C)cn2)CC1 1359041681 FHAMCVBKGDEAMO-UHFFFAOYSA-N 462.514 2.024 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](c2ccccc2Cl)N(C)C)CC1 1359044551 IQHIRYDJIDQNBT-SFTDATJTSA-N 498.031 2.151 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2Cc2ccc(OC)c(OC)c2OC)CC1 1359046858 IMUHCDGXQFRRGA-UHFFFAOYSA-N 467.570 2.271 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC[C@@H](CNC(C)=O)C2)nnc1[C@@]1(OCC)CCOC1 1359104530 CJUPBPUUMJZNOO-SEDAZVQISA-N 461.607 2.264 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CN2C[C@H](C)O[C@H](C)C2)CC1 1359131713 CGAXCZZMVFMYEA-ZVDOUQERSA-N 460.623 2.148 30 10 JEEE C=CCCOCCn1c(-c2cc(Br)cn2C)nnc1N1CCN2C(=O)OC[C@@H]2C1 1359223052 ZDABLGMBYDUWLB-HNNXBMFYSA-N 465.352 2.280 30 10 JEEE CC(=O)NC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCSC(F)(F)F)CCO1 1359451847 AOHXDROGUJGIDT-KRWDZBQOSA-N 484.504 2.323 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(F)cc1Cl 1359473561 DSYPVFWKKLDKEO-RDTXWAMCSA-N 484.985 2.242 30 10 JEEE C#CCOc1ccc(CNC(=O)c2cc(I)ccc2-n2cnnn2)cc1 1436303660 WGAVCFMCGFSKTH-UHFFFAOYSA-N 459.247 2.209 30 10 JEEE CC(C)(CO)[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)c1cccnc1 1469476317 HANOFTGEICXRHI-OAQYLSRUSA-N 456.568 2.230 30 10 JEEE Cc1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N(CCS(C)(=O)=O)C2CC2)on1 1493143742 CDIJYYDROFAXPS-UHFFFAOYSA-N 456.528 2.087 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2scnc2C)c1 1507551741 YOLOVBDUIJQIQO-SFHVURJKSA-N 498.634 2.244 30 10 JEEE C#CCCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1507579587 AJTNNAYINBOJDO-UHFFFAOYSA-N 463.542 2.353 30 10 JEEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1C[C@@H](C)SC)[C@@H]1CCS(=O)(=O)C1 1507638474 FTBKCZFWMQDAJT-IAGOWNOFSA-N 464.613 2.244 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCCCO2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1507669700 PRVFPVHGQIGBMW-LJQANCHMSA-N 452.559 2.237 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](c2ccco2)N(CC)CC)CC1 1507733109 OPSVDBCXDCLEHY-OAQYLSRUSA-N 495.628 2.156 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2OC)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1507807769 FCKYZIUEESKOBM-HMFYCAOWSA-N 476.599 2.470 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCC(CC(N)=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1507808363 GQVYGSHLARKPJX-PTLVVNQVSA-N 461.607 2.392 30 10 JEEE C=C(C)COCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1507840022 XHIUVUIZOBRNDW-IBGZPJMESA-N 450.561 2.178 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1507914830 PMNSJQQZZCVWDJ-FQEVSTJZSA-N 471.650 2.356 30 10 JEEE C=CCCCCn1c(N2CCC[C@@H](N3CCCS3(=O)=O)C2)nnc1[C@@]1(OCC)CCOC1 1507937428 QAOBFAGYYVJJTO-DENIHFKCSA-N 467.636 2.291 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1C[C@@]1(O)CCO[C@H]1C 1507996920 MGVOFYMQHBXDOR-UUOWRZLLSA-N 450.543 2.118 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1c1nc2ccccc2s1 1508074853 NSYXSSQJSIWYOJ-HOCLYGCPSA-N 489.627 2.142 30 10 JEEE C=CCOc1ccc(Cn2c(-c3cnccn3)nnc2N2CCC(S(C)(=O)=O)CC2)cc1 1508100121 DWLJPBGUFUOZHZ-UHFFFAOYSA-N 454.556 2.362 30 10 JEEE CCN(CC)CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cc(C)on2)CC1 1515557303 CPUUVHPOEIRLHM-UHFFFAOYSA-N 462.558 2.152 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ccc(OC)nc1OC 1539014299 QBTRZRSDGXFLFP-QGZVFWFLSA-N 462.558 2.371 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCO[C@H](C)C2)c1 1539043400 PYTKRGMFTRLPCK-KPFFTGBYSA-N 450.543 2.101 30 10 JEEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1539079403 SZSNWPYUGUOGEW-DEOSSOPVSA-N 482.677 2.174 30 10 JEEE C#CCN(c1nnc(-c2nnc(O)c3ccccc23)n1CCCSCC)[C@H]1CCS(=O)(=O)C1 1539215484 DCNHANBNTDGFAQ-INIZCTEOSA-N 486.623 2.364 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1ccccc1COC)[C@H]1CCS(=O)(=O)C1 1539224436 HBOIHDSVQIQOFN-QFIPXVFZSA-N 465.579 2.085 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1Cc1cnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1539229817 IQFLKLNFHFLBIH-QGZVFWFLSA-N 475.571 2.436 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCN(C)CCOC 1539542145 UHILEGKFELYMPZ-HSZRJFAPSA-N 473.647 2.117 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCCN(CC)C(=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1539639644 AOQJNDSYBBGWOE-PTLVVNQVSA-N 461.607 2.359 30 10 JEEE C=CCCOCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(N(C)C(C)=O)CC1 1540033964 SKSUEHONFORGRD-UHFFFAOYSA-N 479.585 2.232 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1COCCO1 1540121334 KEKJBUUYAQJITO-URXFXBBRSA-N 453.543 2.410 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 1540869973 BLLGRGYENCADMK-QFBILLFUSA-N 471.537 2.014 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1540870607 RACIZJCIWHQECI-IBGZPJMESA-N 455.519 2.057 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1540875160 CQGRAALIXMYCTJ-QGZVFWFLSA-N 473.921 2.082 30 10 JEEE CC(=O)NCC(=O)N1C[C@@H](C(=O)NC2CC2)C2(CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)C1 1548376289 YFFWGYOCDBXOFY-FQEVSTJZSA-N 491.514 2.037 30 10 JEEE CNC(=O)c1cc(O[C@H]2CCCN(C(=O)[C@H]3CCN(c4ccc(C#N)cc4F)C3)C2)ccn1 1556861618 DFPHKWSGCQDXRT-HKUYNNGSSA-N 451.502 2.348 30 10 JEEE C#CC[C@H](CCOC)NC(=O)N(CC)[C@@H](C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1565156389 IQGDLBUIBWTYKX-RBUKOAKNSA-N 452.596 2.304 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN2CCCCCC2)c1 1587693952 YAPWVXLCMYIRBO-OAQYLSRUSA-N 498.653 2.112 30 10 JEEE C#CCCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1587835665 XIFQZXQLNFXXQS-IBGZPJMESA-N 456.568 2.393 30 10 JEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1588125012 YNTIEHJHPNSGPC-BGYRXZFFSA-N 497.669 2.199 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CCOC[C@H]1OC 1588171098 UOFWADDMWSERAA-YSTOQKLRSA-N 457.575 2.173 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2ccc(F)cc2F)CC1 1588386186 NKZAEMMFOMEHDP-LJQANCHMSA-N 479.553 2.081 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@H]2CCCOC2)CC1 1588763314 UJLDLWIXYXINFB-GOSISDBHSA-N 455.559 2.153 30 10 JEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCCN2CCC[C@@H](C)C2)CC1 1588865277 RIHRYJWHBYCWGM-OAQYLSRUSA-N 452.651 2.407 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2CCNC(=O)c2cccc(C)c2)CC1 1588890824 GCDJPNJJOQUODZ-LJQANCHMSA-N 450.587 2.496 30 10 JEEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1589109605 HEQTXMKUMDMNGK-HOIFWPIMSA-N 475.640 2.409 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1589503015 BGFFIOAAHYMOAP-GMAHTHKFSA-N 463.586 2.008 30 10 JEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](CCc2ccccc2)C1 1594733228 PGFLFPYLYXUTOH-VXKWHMMOSA-N 489.642 2.415 30 10 JEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C)(c2nc(C)no2)CC1 1594812614 HXDICEZGMXBTIQ-QGZVFWFLSA-N 464.592 2.022 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](c2ccc(Br)cc2)C1 1595466117 FCLYTOHEFUTKPP-QGZVFWFLSA-N 491.390 2.059 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCCN(c2nccc(OCC)n2)CC1 1595777508 OXHVNCRZGKIWMW-UHFFFAOYSA-N 497.625 2.451 30 10 JEEE COc1cc(OC)c2c(c1Cl)O[C@@]1(C(=O)/C(=C\NCCSCCO)C(=O)C[C@H]1C)C2=O 1615248274 HJSRQBIRCXEAAF-LLKLCMEXSA-N 469.943 2.048 30 10 JEEE CN(Cc1ccccc1)Cc1cn([C@@H]2CO[C@H]3[C@H]2OC[C@H]3NC(=S)Nc2cccc(C#N)c2)nn1 1616130703 OOZHJUKZMOALTM-YCAMKHIRSA-N 489.605 2.476 30 10 JEEE CC(C)(C)OC(=O)NCC(=O)N1CCC[C@@H](CN2CCN(Cc3ccccc3)[C@H](C#N)C2)C1 1621218306 BKQBZPHVXIBLGS-FCHUYYIVSA-N 455.603 2.460 30 10 JEEE C=CC1(CC(=O)NCCN2CCN(C(=O)OC(C)(C)C)CC2)CN(C(=O)OC(C)(C)C)C1 1625454243 QPVWRTWNXLBBTE-UHFFFAOYSA-N 452.596 2.469 30 10 JEEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)CC1 1634171205 YFBHVWZJAYGAED-GOSISDBHSA-N 451.552 2.081 30 10 JEEE C#CCC1(O)CCN(C(=O)c2ccc(NS(=O)(=O)c3ccc4nc(O)[nH]c4c3)cc2)CC1 1650951989 XTRTVKRHHYYRNR-UHFFFAOYSA-N 454.508 2.060 30 10 JEEE C#CCN(C(=O)CCn1nc(O)c2ccccc2c1=O)C1CCN(C(=O)OC(C)(C)C)CC1 1651973045 BIUBKVQTFCYDBY-UHFFFAOYSA-N 454.527 2.354 30 10 JEEE CCn1cc([C@@H]2C[S@](=O)CCN2S(=O)(=O)c2cccc(Br)c2C#N)cn1 1663117602 FVIQLMNBASMQGI-ODCWNRFASA-N 457.375 2.031 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2ccccc2)CCC1 1689852653 IQJBNUGNOUSXOQ-AZUAARDMSA-N 457.600 2.191 30 10 JEEE C#CCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1689879792 HNDMIJATJYRCPI-UHFFFAOYSA-N 492.609 2.173 30 10 JEEE C#CCCCCn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1689900976 XAPGVEQTOBKTJY-UHFFFAOYSA-N 480.613 2.049 30 10 JEEE C#CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1689928784 WUZLUEKEUUAZFS-MSOLQXFVSA-N 458.563 2.447 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CCO[C@H]1C(C)C)[C@@H]1CCS(=O)(=O)C1 1689982080 HKERDZDVVDZWCA-XARGGIHNSA-N 494.658 2.007 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1689996881 QDTPVFHPZFHGKD-PZJWPPBQSA-N 458.584 2.361 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CN(Cc2ccccc2)CCO1 1690031777 XJPUMXHHCUCIQV-HSZRJFAPSA-N 483.576 2.289 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1690112498 ZFHNDVBXJZPACZ-RBUKOAKNSA-N 475.590 2.137 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)Oc2ccccc2F)CC1 1690134818 HAZWFVWUCHJWHC-GOSISDBHSA-N 482.560 2.087 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCCC(C)C)CC1 1690140342 VVHJSMQGBIXCMM-UHFFFAOYSA-N 461.574 2.323 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOC)[C@@H](CCC)C1 1690245562 JWRGKOAZKDXUOU-MLNNCEHLSA-N 495.690 2.099 30 10 JEEE C=C(C)COCCn1c(Cc2ccsc2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1690316911 NZTPRXOCNPPPGC-UHFFFAOYSA-N 458.632 2.268 30 10 JEEE C=C(Cl)Cn1c(Cc2csc(C)n2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1690349257 RNXCHUWYNYRZPO-UHFFFAOYSA-N 450.012 2.131 30 10 JEEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1690510882 IFXLKRAAVZHMBK-UHFFFAOYSA-N 458.611 2.363 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCCS1(=O)=O 1690574111 OXDRZJWUKUZJRJ-WBVHZDCISA-N 487.673 2.110 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 1690720962 WDSFKTWNOBVLSG-QGZVFWFLSA-N 476.603 2.292 30 10 JEEE C=CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](C(=O)NC)C1 1690746795 KACRTRVLSZPGRK-ZWKOTPCHSA-N 494.662 2.468 30 10 JEEE CC(C)(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(C#N)C1)N1CCCCC1 1692852234 HZWYUQKLLOPKEY-WMZHIEFXSA-N 493.678 2.006 30 10 JEEE COCCN1C[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCO[C@H](C(C)(C)C)C2)CC1=O 1698077798 DNCQBYLJXNMQTC-UNMCSNQZSA-N 496.612 2.475 30 10 JEEE N#CCC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCN(CC(F)(F)F)C2)CC1 1698491469 COEHTVCFABYDQQ-IAGOWNOFSA-N 474.553 2.194 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1CCOCCC(C)C)[C@H]1CCS(=O)(=O)C1 1705562839 LOKYZKHSULUPFD-FQEVSTJZSA-N 488.610 2.406 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1CCO[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1705570799 RBSZXJOHVAJYGE-QFUCXCTJSA-N 460.575 2.450 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2c[nH]c3ccccc23)n1CCCN1CCC[C@H]1C(=O)N(C)C 1705586333 FGKNWFQZQYRVSA-DEOSSOPVSA-N 471.609 2.366 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1(N2CCOCC2)CC1 1705602692 AMTCLKDPFRWTHB-OYRHEFFESA-N 482.629 2.377 30 10 JEEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1705806813 NCFRTZRTKGLWIU-SFHVURJKSA-N 453.547 2.127 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N1CCc2ccccc2C1 1705884649 UYOLKQZWXZLPMD-DENIHFKCSA-N 473.643 2.266 30 10 JEEE C=CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1705891189 ICYNOLJTMVKSEA-IBGZPJMESA-N 466.007 2.339 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1705895503 IXPSLUJUBORNCX-UHFFFAOYSA-N 481.022 2.151 30 10 JEEE Cc1nc(C)n(C[C@@H]2CCCN(c3nnc(-c4ccc(C#N)cc4)n3CC(=O)NCC(F)F)C2)n1 1707836464 CSFSXQNZNPFOAH-GOSISDBHSA-N 483.527 2.323 30 10 JEEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)c2c(C)noc2C)CC1=O 1712492635 FKKDYQXHEDMGTG-KRWDZBQOSA-N 493.568 2.432 30 10 JEEE C#CCN(C)c1nnc([C@H](C)OCCOC)n1C[C@@H]1C[C@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1722345738 RPBQZLSXJMSHFX-CADBVGFASA-N 463.579 2.096 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@H](C)CNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1722360043 CLDLNPBLKSUKLY-MSOLQXFVSA-N 490.630 2.071 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CC[S@@](=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1722361316 YWKTYXQESDKUTN-HYDGNGQDSA-N 452.602 2.020 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1CC[C@H](OC)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1722364076 DSZXPIZRSIAFMB-CVEARBPZSA-N 491.561 2.228 30 10 JEEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCS(=O)(=O)C(C)(C)C 1722406485 YCOWTBLOQFKEGV-UHFFFAOYSA-N 480.660 2.219 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCOC[C@@H]2CCOC2)CC1 1722440864 GBJFUBNRQIHKHS-BHDDXSALSA-N 459.635 2.395 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H](COC)OC 1722471746 PNMMQSAAEMFEPV-MZNJEOGPSA-N 450.543 2.328 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC[C@@H]1NC(=O)NC1=O 1722476123 YXPXVZALTQFJNM-DPOKWSEZSA-N 499.616 2.373 30 10 JEEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1722486706 BESSEJVMEFLRFR-AWEZNQCLSA-N 480.392 2.015 30 10 JEEE C=C(Cl)Cn1c(N2CCN(CC(=O)N(CC)CC)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1722558017 AKXGQKJEQMKKES-JOCHJYFZSA-N 469.030 2.062 30 10 JEEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1722625374 SFLJINWHLPZACY-UHFFFAOYSA-N 453.522 2.373 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1722701864 GVONGJSVJMPUHV-VWLOTQADSA-N 479.585 2.262 30 10 JEEE C[C@H](CC#N)N(C)c1nnc(CNC(=O)c2cccs2)n1CCNC(=O)c1cccs1 1723777169 ALMWHQAQNHAJLF-CQSZACIVSA-N 457.585 2.499 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1C[C@H](C1CC1)N(C)C 1723925157 HHWSVTCDKPLWCX-VGOFRKELSA-N 483.642 2.394 30 10 JEEE Cc1cscc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(C#N)C1 1725141287 BEKODRURVGSGTJ-PXNSSMCTSA-N 464.617 2.159 30 10 JEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2ccsc2)CC1 1740573338 BFGIPAOBEWZXCR-GOSISDBHSA-N 461.613 2.008 30 10 JEEE C#CCN(c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@@H]1CC=CCO1)[C@H]1CCS(=O)(=O)C1 1740619928 MYWCWYQSUPJNQC-PMACEKPBSA-N 486.594 2.324 30 10 JEEE C#CCN(c1nnc(C2CCCC2)n1CCCN1CCCO[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1740623711 ZOAINQWQMSHNMS-CTNGQTDRSA-N 463.648 2.063 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1nc(C(F)(F)F)cs1)[C@H]1CCS(=O)(=O)C1 1740627924 LGORTIWEFKEYCL-QWHCGFSZSA-N 475.518 2.280 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccccc2F)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1740634914 IBHAMXMPYGWZCR-GHTZIAJQSA-N 455.559 2.361 30 10 JEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 1740720347 VRWGUQVCPVQDFN-UHFFFAOYSA-N 458.632 2.138 30 10 JEEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2cc(OC)c(C)cc2C1 1740787096 ACOAZLXEFJFMIV-KRWDZBQOSA-N 463.604 2.361 30 10 JEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(=O)NC2CCCCC2)CC1 1740868929 WLFDYFLDSJWGJS-KRWDZBQOSA-N 481.667 2.455 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(C(N)=O)CCCC1 1740923803 WDNCIFBHEPJCGA-MRXNPFEDSA-N 463.629 2.480 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H]1c1ccc(OC)c(OC)c1 1740951131 QDVZDZJVFCFWPT-SFHVURJKSA-N 468.558 2.175 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1740989126 AQMWXEFJLUMWSD-QGZVFWFLSA-N 462.601 2.227 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1C[C@@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1748638831 XDWKECWSFCTFIJ-ZSYWTGECSA-N 495.584 2.408 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CN(CC(C)C)CCO1 1748652068 WNPPIKNVHVXRLE-CTNGQTDRSA-N 488.658 2.010 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2CCC2(O)CCOCC2)c1 1748692264 UNBTVCAMCQYVHE-UHFFFAOYSA-N 460.538 2.328 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@](C)(O)[C@H](C)CC)c1 1748692938 SPQBNDMGLSIFDK-MTJJIEKYSA-N 452.559 2.083 30 10 JEEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CC1(CC)CCC1)[C@H]1CCS(=O)(=O)C1 1748804793 LGMUXSQXGLFGTN-PGRDOPGGSA-N 450.605 2.137 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1Cc1ccc(N2CCCC2)nc1)[C@@H]1CCS(=O)(=O)C1 1748805192 PQLYHAFIIXPXAC-UYAOXDASSA-N 456.616 2.462 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCC2(C)C)n1 1748971303 LBOHOLXNKZQVJM-PMACEKPBSA-N 488.658 2.489 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC2(S(C)(=O)=O)CCC2)CC1 1748983569 UBVPLUKWAVWDKP-UHFFFAOYSA-N 465.982 2.460 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC[C@H]2COCCO2)CC1 1749005370 VPPFVXJYRJISMR-ICSRJNTNSA-N 485.560 2.329 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](c2ccccc2)N(C)C)CC1 1749009771 LJIJAFQJQSPLIN-DHIUTWEWSA-N 464.614 2.441 30 10 JEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2cccc(Cl)c2)C1 1749023893 ZFLCHGRCXGXJJI-CRAIPNDOSA-N 484.047 2.486 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)COC)CC1 1749135262 DCGKAJHJDCCRAJ-HYBUGGRVSA-N 480.569 2.005 30 10 JEEE C=CC[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C)C(=O)[C@H]1C)c1ccccc1 1749385781 UIDDFLRXFRNXRS-MISYRCLQSA-N 457.600 2.207 30 10 JEEE C=CCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1749390439 FOJZVDKVZYIZII-UHFFFAOYSA-N 483.573 2.190 30 10 JEEE C=CCCCn1c(N2CCN(c3c(C#N)c(C)nn3C)CC2)nnc1[C@@]1(OCC)CCOC1 1749439671 GFTCOHWBNALLJT-HSZRJFAPSA-N 454.579 2.137 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cnn(C)c2)n1C[C@H]1CCS(=O)(=O)C1 1749531870 PICDBFXYPHTPCU-LJQANCHMSA-N 451.556 2.178 30 10 JEEE C=CCn1c(C(=O)NC(CC)CC)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1749604482 YUBBGEZHYCGXCZ-UHFFFAOYSA-N 464.567 2.033 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC(c2cccc(OC)c2)CC1 1749721332 HJVKOWATTGZUBW-UHFFFAOYSA-N 475.615 2.410 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC(Oc2cc(C)ccn2)CC1 1749740552 GLRDMDTVZYWOME-LJQANCHMSA-N 461.588 2.482 30 10 JEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1749755378 GIHSCVXJBDNNSV-QZTJIDSGSA-N 450.634 2.446 30 10 JEEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)CNC(=O)OC(C)(C)C)CC1=O 1749873329 FMCXICNVWMQWQJ-GOSISDBHSA-N 497.600 2.273 30 10 JEEE CC(C)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2CCS(=O)(=O)CC2)CC1 1750846057 BLWGDEHRKZJCFT-UHFFFAOYSA-N 486.642 2.332 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1C[C@H]1CC[C@H](F)C1 1751220681 FPWBEZNPRYHOKR-SZMVWBNQSA-N 493.584 2.364 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCN1CCN(CC)CC1 1760116939 LMZLIZCYFRTVRU-RTWAWAEBSA-N 489.665 2.072 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1oc2ccccc2c1C 1760117405 OKLOLJOQBAQDQQ-QRWLVFNGSA-N 457.556 2.172 30 10 JEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2C#N)CC1 1760138248 UWNGWYRNBYAVKM-FQEVSTJZSA-N 452.584 2.182 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H]1CCCN(CC(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1760183988 FUENPFLTMDXHCV-NHCUHLMSSA-N 470.643 2.335 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1C[C@@H]1CN(Cc2ccccc2)CCCO1)[C@H]1CCS(=O)(=O)C1 1760186079 KFDAQZHQIWICJT-ZEQRLZLVSA-N 499.681 2.394 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN(CCC)C(=O)OC(C)(C)C 1760232730 CPNHVSBWDRVZOF-QGZVFWFLSA-N 453.609 2.287 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@]1(N2CCOCC2)CCSC1 1760253245 OIDJHWUBBKKCHU-DNRQZRRGSA-N 491.702 2.491 30 10 JEEE CC(C)(C)[S@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cnccn2)CC1 1760804413 DKUNGQOAOYVBOZ-MGBGTMOVSA-N 464.599 2.481 30 10 JEEE CC(C)(O)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1760821116 FBYYVWCIPQCBEX-UHFFFAOYSA-N 451.506 2.360 30 10 JEEE CC(C)NS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@](C)(C#N)C1 1761270183 HXCCSACIYJLAAG-GOSISDBHSA-N 484.424 2.494 30 10 JEEE CCOC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCS(=O)(=O)CC2)C1 1767989685 AIISLQFKGFUCOM-IBGZPJMESA-N 473.599 2.009 30 10 JEEE CN(CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CCC#N)CC1CC1)C(=O)OC(C)(C)C 1768922956 IFDWMMHSDDUWCQ-KRWDZBQOSA-N 466.608 2.177 30 10 JEEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCC(CC#N)CC3)n2C[C@@H]2CCC(F)(F)C2)C1 1771360322 BNRZRYGDRJZFOR-IAGOWNOFSA-N 472.562 2.176 30 10 JEEE CSc1ccc(F)cc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)C#N 1771424757 DZQBOLRNPOJZCL-YOEHRIQHSA-N 482.607 2.116 30 10 JEEE CCCOCCOC(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2cccc(C#N)c2)cc1 1859013850 RHWOUVKANRCUGQ-UHFFFAOYSA-N 459.524 2.372 30 10 JEEE COc1ccc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2CCN2CCOCC2)cc1OC 1862563485 DSPDXRUHLQYNKU-QFIPXVFZSA-N 467.522 2.197 30 10 JEEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCNC(C)=O)[C@H]2c2cc(OC)c(OC)c(OC)c2)c1 1862709554 YRUGXCOEBGPMIK-NRFANRHFSA-N 484.505 2.435 30 10 JEEE C=CCOc1ccccc1[C@H]1C(C(=O)N2CCC3(CC2)OCCO3)=C(N)Oc2c1c(C)nn2C 1865227741 PRIZMWLJQALSEZ-HXUWFJFHSA-N 466.538 2.353 30 10 JEEE Cc1ccc([C@H](C#N)NC(=O)[C@H](CO)NC(=O)c2ccccc2I)cc1 1867859979 CORDIAKGHFWYNZ-IRXDYDNUSA-N 463.275 2.071 30 10 JEEE CN(C)c1cccc(-n2nnc(C#N)c2NC(=O)CN2C(=O)COc3ccc(Cl)cc32)c1 1870156622 WKJHXXZDQMTOJS-UHFFFAOYSA-N 451.874 2.222 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)N(C)C2CCCCC2)cn1CCNC(C)=O 1870507319 JKFDWXMTWVKWLF-UHFFFAOYSA-N 458.603 2.328 30 10 JEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](C(=O)Nc2ccc(Br)c(C#N)c2)C1 2197779344 UPYCUIVIWRYTQQ-CQSZACIVSA-N 458.334 2.293 30 10 JEEE CC1(C)OB(c2cccc(S(=O)(=O)NCCNC(=O)OCc3ccccc3)c2)OC1(C)C 2243435538 SCEVPZXCAYZTES-UHFFFAOYSA-N 460.361 2.191 30 10 JEEE Cc1cc(C(=O)NCC2(NC(=O)OC(C)(C)C)COC2)sc1B1OC(C)(C)C(C)(C)O1 2255863305 VYHFBPVTSQKGKG-UHFFFAOYSA-N 452.382 2.379 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(Cl)c(B3OC(C)(C)C(C)(C)O3)c2)C1 2266981138 GQPWEMWWLIDCSO-IAGOWNOFSA-N 466.771 2.349 30 10 JEEE Cc1nc(C(=O)N2CC[C@H](NC(=O)C(F)(F)F)[C@@H](C)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2267169048 VYOMHTOUFOGICB-JQWIXIFHSA-N 461.315 2.280 30 10 JEEE Cn1nc(C(=O)N2C[C@@H]3C[C@@]3(NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2267501839 DLJXMNRBYFWEFZ-LAJNKCICSA-N 466.775 2.112 30 10 JEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 2267704702 AEBKCFDOMPAVGS-KBPBESRZSA-N 484.449 2.499 30 10 JEEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N(Cc1ccccc1)Cc1ccco1 2267706580 BACRMKYXAIBEMA-UHFFFAOYSA-N 458.349 2.098 30 10 JEEE CC(C)(C)OC(=O)N[C@]1(C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)c(F)c2)C[C@H](O)C1 2268720132 QASOPBRUDYTXTE-XLOAEROZSA-N 450.316 2.482 30 10 JEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)OC(C)(C)C 2281810219 MMIBUCSARVHRJO-LIRZEXBASA-N 462.352 2.298 30 10 JEEE CC(C)(C)OC(=O)N[C@]12CCC[C@@]1(F)CN(C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C2 2281926259 LMHBMMXGFRKSRB-YADHBBJMSA-N 464.347 2.320 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)C1CCN(C(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CC1 2282034979 OYXLLBDJOUEPMC-HNNXBMFYSA-N 462.400 2.485 30 10 JEEE Cn1cc(C(=O)NC[C@H]2CCCCN(C(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2282051358 HJCFVXMYCPTRBT-MRXNPFEDSA-N 462.400 2.486 30 10 JEEE C[C@@H](NC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1)C1CCN(C(=O)OC(C)(C)C)CC1 2282525190 OOHDOUBWNGRHIZ-OAHLLOKOSA-N 462.400 2.485 30 10 JEEE Cn1nc(C(=O)NC[C@@]23CC[C@H]2CN(Cc2ccccc2)C3)cc1B1OC(C)(C)C(C)(C)O1 2282612978 XMMKIJYMTGXPQR-UQBPGWFLSA-N 450.392 2.361 30 10 JEEE Cc1cccc(C(=O)NC2(CCO)CN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2282647686 FBPUDUJTEMKQRT-UHFFFAOYSA-N 460.380 2.396 30 10 JEEE Cc1csc(CN(C)C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2283931277 XQDUZDBQDHBTET-AWEZNQCLSA-N 481.424 2.083 30 10 JEEE COC[C@@H](ONC(=O)OC(C)(C)C)C(=O)N1CCc2cccc(B3OC(C)(C)C(C)(C)O3)c21 2283945455 BHFJJNKCPQNLNH-QGZVFWFLSA-N 462.352 2.346 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCCc1ccccc1B1OC(C)(C)C(C)(C)O1 2283946954 UMCSCUYUUVJSNE-IEBWSBKVSA-N 460.380 2.015 30 10 JEEE CC(C)(C)OC(=O)N1CCCN(CC(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)CC1 2283956705 SWAYRJWZKOYHTI-UHFFFAOYSA-N 460.384 2.262 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@](O)(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2284049079 OVCVBPJJNTZWDF-JOCHJYFZSA-N 465.331 2.220 30 10 JEEE C=CCN(CC(=C)B1OC(C)(C)C(C)(C)O1)C(=O)[C@H](NC(=O)OC(C)(C)C)C1CS(=O)(=O)C1 2284125695 NSNJIUIWVNMEAF-QGZVFWFLSA-N 484.424 2.127 30 10 JEEE CC(C)(C)OC(=O)N[C@@]1([C@@H](O)C#CC(C)(C)S(C)(=O)=O)CCN(Cc2ccccc2)C1 2301487076 MXXMCOKMTKKLGP-CVDCTZTESA-N 450.601 2.343 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1COC(C)(C)[C@@]1(C(=O)O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 2346919118 MJBHTIJOQJPRLC-XLNZFTOWSA-N 458.559 2.222 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1C[C@@H]2CC[C@H]1N2C(=O)OC(C)(C)C 2359268605 YAOCODDPELBFIB-YQQAZPJKSA-N 460.384 2.237 30 10 JEEE C=CCn1c(Sc2nc3c([nH]2)c(=O)n(C)c(=O)n3C)nnc1C12CC3CC(CC(C3)C1)C2 253565634 HYVNJLQYESCEJU-UHFFFAOYSA-N 453.572 2.357 30 10 JEEE C[C@@H](NC(=O)CSc1nnc(NN=Cc2cc([N+](=O)[O-])ccc2O)n1N)c1ccccc1 1084133208 FCJJKJSQFWJVAP-GFCCVEGCSA-N 456.488 2.021 30 10 JEEE C#Cc1ccccc1CC(=O)NCC1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 1126119711 LCHKPFBBFXZBTJ-UHFFFAOYSA-N 456.564 2.445 30 10 JEEE CCOC(=O)Nc1ccc(NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)Cc2ccccc2F)cc1C#N 1137704959 ATSVJVFLNKQPQI-XLIONFOSSA-N 454.458 2.409 30 10 JEEE C#CCNC(=O)CN1CCCN(C(=O)c2nn(-c3cc(Cl)ccc3F)c3c2CCC3)CC1 1144029038 XGIVLZAIJUOJNJ-UHFFFAOYSA-N 457.937 2.051 30 10 JEEE C=C1CCC(C(=O)N2CCN(S(=O)(=O)c3cc4c(cc3Cl)NC(=O)CO4)CC2)CC1 1264325446 WOQAIACUBZCZJG-UHFFFAOYSA-N 453.948 2.250 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC(F)(F)F)cc1 1286296330 OCEVORPQCMLXLD-RHSMWYFYSA-N 487.504 2.016 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1CCC(=O)N[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1286391856 FCZRFVVZBVXNLZ-PZJWPPBQSA-N 471.627 2.109 30 10 JEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCc1nnc(C)s1 1286414511 YMFNZVXHVCINFC-UHFFFAOYSA-N 461.599 2.318 30 10 JEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@](C)(O)c1cc(C)oc1C 1286415288 IRLLAAKCCSGJHN-QHCPKHFHSA-N 451.552 2.460 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1c(C)nn(Cc2ccccc2)c1C 1286464938 HHUZDSIVZSGVTR-JOCHJYFZSA-N 461.570 2.225 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2CCNS(=O)(=O)c2ccc(C)s2)CC1 1286483523 OQAQYVPFOOKIRI-UHFFFAOYSA-N 490.680 2.034 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1286554368 UJNRUDVIPVVFMU-DYESRHJHSA-N 491.614 2.025 30 10 JEEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 1286602184 UOOXKHNAIRIGMG-UHFFFAOYSA-N 489.580 2.409 30 10 JEEE C=C(C)COCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCN(C)C(=O)[C@@H]1C 1286606048 FGBRCTZVWDIEHU-SFHVURJKSA-N 479.585 2.325 30 10 JEEE C=CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCO[C@H](CNC(C)=O)C1 1286701116 RKWJKZUHPYFWQY-LJQANCHMSA-N 479.585 2.373 30 10 JEEE C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(Cc2nc(COC)no2)CC1 1286769706 MNILYJPZAGTNKY-UHFFFAOYSA-N 463.340 2.073 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCc2n[nH]c(C)n2)C1 1286814456 SKHLEOCPQULINP-FGTMMUONSA-N 472.594 2.499 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](CC)c2ccccc2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1286817906 QCIXOTSWCIJCNG-RBUKOAKNSA-N 459.572 2.062 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1Cc1cccnc1OC 1292116944 HLJJJBLRCFOCON-UHFFFAOYSA-N 489.584 2.242 30 10 JEEE C#CCCCn1c(N2CCCN(S(=O)(=O)c3ccccc3)CC2)nnc1[C@]1(OCC)CCOC1 1300424503 ITBIVTQPIPVEKG-DEOSSOPVSA-N 487.626 2.245 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCN(C)[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1300488903 HWIODPXAJNNRPM-ICSRJNTNSA-N 459.616 2.311 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1CCCN1CCCCCC1=O)[C@@H]1CCS(=O)(=O)C1 1300500574 BQJQUXNOJZOQMA-HSZRJFAPSA-N 497.665 2.483 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCn2ccnc2C)CC1 1300718465 PFQWRXFZBWETGZ-UHFFFAOYSA-N 476.541 2.414 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2cc(OC)c(OC)cc2C1 1300762690 LSZASZOHXUBWPB-KRWDZBQOSA-N 476.624 2.127 30 10 JEEE C=C(C)Cn1c(CCc2ccccc2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1300958856 UDJZSVNAGUKZFE-UHFFFAOYSA-N 469.615 2.192 30 10 JEEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](C(=O)N(C)c2ccccc2)C1 1301251677 GMWOTDWJQKBQKA-QUCCMNQESA-N 452.559 2.311 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)n(C)c1=O 1301349694 QMFFEOHVBNZPAK-NRFANRHFSA-N 467.595 2.428 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCN2C(=O)OC[C@]2(C)C1)C(C)C 1301368281 ZWWAPSLQUFKRSE-RDPSFJRHSA-N 468.606 2.408 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N(CC)C[C@@H]1CCCO1 1301588574 HPLQIHLXKDHAHJ-FXAWDEMLSA-N 462.572 2.397 30 10 JEEE C=CCO[C@H]1CCN(CC(=O)Nc2ccc(OCC)c(S(=O)(=O)N3CCCCC3)c2)C1 1307607079 YBQMBOOUTNYSFJ-IBGZPJMESA-N 451.589 2.475 30 10 JEEE N#C[C@]1(F)CCN(c2nnc(C(=O)Nc3ccccn3)n2CCC(=O)N2CCCCCC2)C1 1316526989 GNLHGLIHOCZMCW-JOCHJYFZSA-N 454.510 2.160 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CCOC(C)(C)C)c1 1358900673 QDRNDCVFLMGQKS-UHFFFAOYSA-N 452.559 2.385 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@](C)(O)c1cc(C)oc1C)[C@H]1CCS(=O)(=O)C1 1358960536 GWHZBLIEBKFXSF-FDDCHVKYSA-N 471.583 2.028 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H](N1CCOCC1)C(F)(F)F 1358968798 ZQSSLAJYEGEQDU-FQEVSTJZSA-N 488.514 2.483 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](C)N(C)C1CC1 1359025526 RJKOATWLLNEQPV-AZUAARDMSA-N 476.622 2.155 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCCN(C)C(=O)OC(C)(C)C)CC1 1359044440 GFCXPOQOVWQZPV-LJQANCHMSA-N 474.606 2.005 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCOC(C)(C)C)CC1 1359044660 LJEOOUIGIJWZSO-UHFFFAOYSA-N 494.644 2.233 30 10 JEEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1359062778 SHKMETYAQZVPIO-HXUWFJFHSA-N 475.640 2.148 30 10 JEEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C1CCN(CCC)CC1 1359083186 DDJWBKWLCIMLMT-HNNXBMFYSA-N 460.442 2.399 30 10 JEEE C=C(Br)Cn1c(N2CCC[C@@H](CC(N)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1359088271 GLWFSZKIZRPXNQ-HNAYVOBHSA-N 456.385 2.319 30 10 JEEE C=C(C)COCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1359133134 MBFWTCVDFDLBLF-HXUWFJFHSA-N 489.646 2.058 30 10 JEEE C=C(Cl)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN(CC(=O)NCC)CC1 1359150715 DYEPODTUZDCITF-UHFFFAOYSA-N 496.056 2.403 30 10 JEEE C=C(Cl)Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1359154285 KNFRFFZHNPJZPD-IIBYNOLFSA-N 475.041 2.271 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@H](C(F)(F)F)C1 1359329413 IHOXCGYRYKZEII-KRWDZBQOSA-N 490.504 2.331 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1359334287 ZMHNDQIUHRHPFQ-INIZCTEOSA-N 481.644 2.009 30 10 JEEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1359341275 QXHNNDXMPCBDCI-UHFFFAOYSA-N 487.655 2.417 30 10 JEEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2csc(CC)n2)CC1 1359341789 HPQVCOPGGYAUDM-KRWDZBQOSA-N 461.661 2.490 30 10 JEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1359342899 HEPBANJBCKXTRM-QZTJIDSGSA-N 453.678 2.410 30 10 JEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1359342900 HEPBANJBCKXTRM-ROUUACIJSA-N 453.678 2.410 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCOC(C)(C)C)CC1 1507715830 IUHJVFWBONKSPH-UHFFFAOYSA-N 458.994 2.432 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(c2ncc(F)cn2)CC1 1508073633 LITKPCIFNRUVSK-UHFFFAOYSA-N 486.939 2.165 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCOCC3(CC3)C2)cc1 1508097792 VBZGIVUQCXOGBY-QGZVFWFLSA-N 461.588 2.118 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCn2cc(C)cn2)C1 1508116999 LKLHMCIDYJBUTC-HXUWFJFHSA-N 485.614 2.182 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1508136565 TWHSFVGUAAGSMC-IBGZPJMESA-N 497.625 2.289 30 10 JEEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1Cc1cccc(OCC)c1)[C@H]1CCS(=O)(=O)C1 1539205071 FZEHITBMSIBGDV-GBXCKJPGSA-N 488.610 2.004 30 10 JEEE C#CCN(CC)c1nnc(COc2ccc(Br)cc2)n1CC1(C(N)=O)CCOCC1 1539378212 UUVZLYFGDDKPMW-UHFFFAOYSA-N 476.375 2.361 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CC(F)(F)CNC(=O)OC(C)(C)C)CC1 1539427865 JMVFIPZBRKPSPZ-UHFFFAOYSA-N 497.591 2.112 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC(C)(C)C(=O)NCC)CC1 1539473788 BFSAXQBUOJIZSS-UHFFFAOYSA-N 496.612 2.090 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CC(C)(C)N2C[C@H](C)O[C@H](C)C2)CC1 1539482600 NJOZLMWNCIQEPC-BGYRXZFFSA-N 458.651 2.330 30 10 JEEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(c2ncccn2)CC1 1539728545 IKKOQHSHLIPART-UHFFFAOYSA-N 483.598 2.058 30 10 JEEE C=C(C)COCCn1c([C@H]2CCCO2)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1539760038 SCSDEHGKYUHAEC-HXUWFJFHSA-N 456.547 2.264 30 10 JEEE C=C(Cl)Cn1c(CCOc2ccccc2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1539812977 UFEWBRMIVMYSKE-LJQANCHMSA-N 458.950 2.419 30 10 JEEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1539828631 MWHRLJTWROPPFC-KKSFZXQISA-N 450.536 2.263 30 10 JEEE C=CC[C@H](Cn1c(COCC)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1)c1ccccc1 1539946522 BNKHHQGEHGXOOU-OAQYLSRUSA-N 468.602 2.348 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN(CCc2ccccc2)CC1 1540900817 JEWRJKSJDHTYCZ-UHFFFAOYSA-N 466.611 2.306 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCN(c2ccc(C)cc2)C(=O)C1 1540903646 DTUXFLUOMZZJOF-UHFFFAOYSA-N 480.594 2.026 30 10 JEEE CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C(C)C)N2CCCC2)CCO1 1541072385 HGMNGHHVYHITKD-DHIUTWEWSA-N 465.602 2.278 30 10 JEEE C=CCN1C(=O)C(=O)N(CC(=O)NCc2ccc(Oc3cc(OC)cc(OC)c3)cc2)C1=O 1544618901 VKJWQZHNMRFTDE-UHFFFAOYSA-N 453.451 2.089 30 10 JEEE CCC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1)OC 1546917548 APIVJJFZOBBMKZ-UYAOXDASSA-N 453.547 2.100 30 10 JEEE N#Cc1ccc(-c2nnc(N3CCC(OCCN4CCCC4)CC3)n2CC(=O)NCC(F)F)cc1 1555988446 BRDJERCPIORWOO-UHFFFAOYSA-N 487.555 2.279 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@@H](OCC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 1556457271 AQLWMJBGQRZJCJ-UXHICEINSA-N 456.543 2.191 30 10 JEEE C#CCN1CCN(C(=O)CN(CC(=O)OCC)[C@H](C)c2cccc(Br)c2)CC1 1559668855 NQJGDPUSENUOJW-QGZVFWFLSA-N 450.377 2.153 30 10 JEEE C#CCCCCn1c(Cc2ccccc2OC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1587773882 YMRRLUITIAFYIE-LJQANCHMSA-N 450.543 2.154 30 10 JEEE C#CCN(c1nnc(-c2ccc(Br)cc2)n1C[C@@](C)(O)C1CC1)[C@H]1CCS(=O)(=O)C1 1588040799 QUEQGDHLWLALOH-GHTZIAJQSA-N 493.427 2.495 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCOc1ccccc1C)[C@@H]1CCS(=O)(=O)C1 1588054973 QTGUCEFOPJEMMB-WOJBJXKFSA-N 458.584 2.186 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1CCc1cc(C(F)(F)F)ccn1)[C@@H]1CCS(=O)(=O)C1 1588055271 UQGPTJJUYAKMAD-MAUKXSAKSA-N 483.516 2.065 30 10 JEEE C#CCN1CCN(c2nnc(-c3nn(CCC)c(=O)c4ccccc34)n2C[C@H](OC)C(C)C)CC1 1588806686 ZRGWZFYZKYIIDY-QFIPXVFZSA-N 477.613 2.491 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2cccc(F)c2)CC1 1588890930 ITTAARYMMOGBSA-VWLOTQADSA-N 469.561 2.472 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2CCCN2CCCO[C@H](C)C2)CC1 1588908616 TXOMATHXZDGQJS-OAQYLSRUSA-N 494.640 2.420 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCCS(=O)(=O)C1 1595132943 AUCVCRSRYYOQIE-APWZRJJASA-N 461.563 2.386 30 10 JEEE C=CCNC(=O)Cn1c(-c2sc3ccccc3c2Cl)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1595490161 NZYYYFDYOMLLPH-UKRRQHHQSA-N 489.985 2.476 30 10 JEEE CC(=O)N1CCC(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CCc2cnccn2)CC1 1596035922 IEYQKECPIZDFQX-UHFFFAOYSA-N 474.569 2.456 30 10 JEEE C[C@@H]1C[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(NS(C)(=O)=O)CC2)CCO1 1612686063 AMVVWRHSLMTCSU-SJLPKXTDSA-N 458.588 2.150 30 10 JEEE C=CCN1CC[C@@H](N(C)C(=O)CSc2nnc(-c3cccnc3)n2Cc2ccco2)C1=O 1626246795 MFNFDJSULREINN-GOSISDBHSA-N 452.540 2.319 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC23CC3)s1 1640629263 IICUONVKJRFWKA-HNNXBMFYSA-N 455.602 2.271 30 10 JEEE CCc1nc(CN2CCN(CC(=O)N3CCN([C@H](C#N)c4cccs4)CC3)CC2)cs1 1652729348 HQLWVEUGKSGCHG-LJQANCHMSA-N 458.657 2.294 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCNC(=O)c1occc1C 1689846593 LBYBQGULOSNZOD-QGZVFWFLSA-N 483.598 2.418 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2CC2(CS(C)(=O)=O)CC2)c1 1689873493 LLQXKKWDLRXKAR-LJQANCHMSA-N 471.583 2.011 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)o2)n1Cc1ccccc1OCCN(C)C)[C@H]1CCS(=O)(=O)C1 1689984097 LDVCDHSCLCXPRB-NRFANRHFSA-N 497.621 2.462 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Cl)n1CC[C@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1689986253 LSYJEAUDGWDDDF-SJORKVTESA-N 464.975 2.031 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@H]1N(C)CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1689986781 WYLNGOOCFAIRLT-UYAOXDASSA-N 458.632 2.031 30 10 JEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1C[C@H]1CCCOC1)[C@@H]1CCS(=O)(=O)C1 1689993944 OBCXYPBPNYZYDK-NHCUHLMSSA-N 472.611 2.125 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1690006271 MDBPQABQNWJKAK-CTNGQTDRSA-N 482.566 2.130 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccc(OC)cc3)n2Cc2cc(C)no2)CC1 1690150881 YYLZGLKBBCTROQ-UHFFFAOYSA-N 462.554 2.382 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(Br)cn2C)nnc1N1CCNC(=O)CC1 1690239097 RFCSXLXQBDAZCG-KDOFPFPSSA-N 463.380 2.354 30 10 JEEE C=CCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ncnc3c2cnn3C)CC1 1690419264 LXBMEEBYYXHQRJ-UHFFFAOYSA-N 466.594 2.022 30 10 JEEE C=CCCCn1c(CCOc2ccccc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1690490212 SGZZXJDEGWQEOP-UHFFFAOYSA-N 454.575 2.440 30 10 JEEE CO[C@H]1COCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1ncnn1CC(F)F 1697698082 HPEJVRQTEHDCJH-MSOLQXFVSA-N 472.500 2.361 30 10 JEEE COCCC1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C#N)CC2)CCCCC1 1697944343 BQQLCYXBNGYHNY-HXUWFJFHSA-N 494.662 2.338 30 10 JEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1cccc(CSC)c1)[C@H]1CCS(=O)(=O)C1 1705558945 MPNUVUQWNOCGDJ-FQEVSTJZSA-N 487.651 2.052 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCC(=O)NC1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1705559970 CIGJHCYMULBBLF-OAQYLSRUSA-N 499.637 2.419 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CC1(SC)CCOCC1)[C@H]1CCS(=O)(=O)C1 1705562022 XGNWBVHFWJEWGT-FQEVSTJZSA-N 485.635 2.356 30 10 JEEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2CCCC(=O)NC2CC2)CC1 1705642418 SXOPIARKKNXNAM-UHFFFAOYSA-N 450.587 2.288 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CCc2ccc(S(C)(=O)=O)cc2)CC1 1705644572 VNPPNOWJFRWOHQ-UHFFFAOYSA-N 471.627 2.188 30 10 JEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 1705739770 QBOSMXITSXMDNS-QGZVFWFLSA-N 459.551 2.078 30 10 JEEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 1705810649 DBPHZROQXDKXDQ-UHFFFAOYSA-N 459.639 2.199 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(F)ccc2Br)nnc1N1CCO[C@@H](C#N)C1 1705931464 QFDBIUBYOBSKRZ-AWEZNQCLSA-N 484.351 2.176 30 10 JEEE COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCOCC2(C)C)C[C@@H](C)O1 1712283571 GFKMUJNMCMJWJG-WIYYLYMNSA-N 454.575 2.168 30 10 JEEE N#Cc1ccc(OCc2nnc(N3CCC[C@H](C(N)=O)C3)n2CCOc2ncccc2F)cc1 1712880285 DEGYWHUBNWPKPQ-KRWDZBQOSA-N 465.489 2.044 30 10 JEEE C#CCCCn1c(-c2ccccc2OC)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1722329471 AORJKKDSOZLZQV-SIKLNZKXSA-N 450.587 2.356 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccn3C)n2CCCCn2cc(Br)cn2)CC1 1722435477 NXUJKWSYFMHWKH-UHFFFAOYSA-N 471.407 2.478 30 10 JEEE C=C(Br)Cn1c(-c2cccc(C)n2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1722481960 NEENUSHPEPPGGL-HXUWFJFHSA-N 474.363 2.372 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C1Cc2ccccc2C1 1722490955 GBRNERJMOJYKGL-PBEJRMEISA-N 459.616 2.473 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2OC)nnc1N1CCS(=O)(=O)CC1 1722500757 MVNGRTQQBZYZDL-UTKZUKDTSA-N 462.572 2.082 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1)C(C)C 1722664653 DVGHMABSFQBXLP-VAMGGRTRSA-N 455.563 2.491 30 10 JEEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 1722699320 UHPXXTKKEHUNPD-UHFFFAOYSA-N 456.566 2.199 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CCC(N)=O)CC1 1722707404 OIOHWAXKTCHUFQ-IBGZPJMESA-N 452.559 2.324 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(OC)c2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1740543810 WXRNMWPXLWPJPJ-AZUAARDMSA-N 468.602 2.363 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCO[C@H]1C(C)C 1740683655 CBJVCHLQRSWLJE-AVRDEDQJSA-N 464.570 2.339 30 10 JEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccc(OCC)cc2)CC1 1740716560 UEJOULHAUQQLFH-NRFANRHFSA-N 468.627 2.317 30 10 JEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](OC)c1ccc(F)cc1)C1CC1 1740911049 VUFNSNOAMBCKNX-WOJBJXKFSA-N 479.578 2.293 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@](C)(C#N)C1 1740951749 MMPIAOODBDZEKI-JOCHJYFZSA-N 455.950 2.294 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N(C)Cc1cnn(-c2ccccc2)n1 1740989826 AIXYPFWQBMBHLW-UHFFFAOYSA-N 452.544 2.091 30 10 JEEE CN(Cc1cccs1)c1nnc(-c2cccc(C#N)c2)n1CC1(O)CCS(=O)(=O)CC1 1747764896 FGXOSVWOJFKELV-UHFFFAOYSA-N 457.581 2.454 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(S(C)(=O)=O)CCC1 1748672358 SLYNDSCDQRXQNC-SJORKVTESA-N 481.619 2.012 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(CC)CC)n2C[C@]2(O)CCSC2)c1 1748690753 WWJQMULMBGQHFE-XMMPIXPASA-N 484.626 2.121 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@@](C)(O)c1ccco1)[C@H]1CCS(=O)(=O)C1 1748808727 GRFJQRRSXBPLDG-GAJHUEQPSA-N 470.551 2.081 30 10 JEEE C#CCN1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(C)cc2OCCCOC)CC1 1748986649 FRXQJUGMSTVCJW-UHFFFAOYSA-N 461.570 2.262 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2CCCO[C@@H]2CCOC2)CC1 1749003696 RYVHGIZKMCUIFW-JOCHJYFZSA-N 467.570 2.115 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@@]1(O)CCS(=O)(=O)C1 1749054608 WOQZPIITVZMYQH-HVETUWLQSA-N 462.547 2.099 30 10 JEEE C=C(Br)Cn1c(COc2ccccc2F)nnc1N1CCC(NS(C)(=O)=O)CC1 1749109898 CNBHUPMKDVOWJZ-UHFFFAOYSA-N 488.383 2.423 30 10 JEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCN([C@H](C)c2nccs2)CC1 1749210029 AZPNVWBLRBCFTP-GOSISDBHSA-N 459.620 2.447 30 10 JEEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1749234894 KTIADWZKJGPMGW-MOPGFXCFSA-N 474.631 2.019 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CC(F)(F)CO1 1749591262 OZTJZIUEBLZWTN-RDJZCZTQSA-N 456.515 2.433 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@](C)(O)CCOC)C1 1749712148 FITTTXMYFSPANQ-IECBHUPTSA-N 495.621 2.155 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cccc(OCC(F)(F)F)c1 1750969874 HWDREUFXXUAWMG-INIZCTEOSA-N 452.437 2.134 30 10 JEEE Cc1csc([C@@H](C)Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(CCC#N)CC2CC2)n1 1751739243 DLLBOFBXHWAVMR-MAUKXSAKSA-N 493.659 2.310 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2CC2(N(C)C)CCOCC2)c1 1760128919 WLLVTLLELIFKHN-NRFANRHFSA-N 480.613 2.339 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1cccs1)C[C@H]1CCCO1 1760154176 BCXQRCLBLXTDKY-UYAOXDASSA-N 493.655 2.272 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1760181281 RTDZNHUJUWTLSN-YKSBVNFPSA-N 488.610 2.002 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@]1(O)CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1760193421 ZJGXJUQAOQDJOC-IUKKYPGJSA-N 476.574 2.174 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccc(Br)cc2)n1CCNC(=O)C1CC1 1760207365 GLBGETXIMLKDBS-UHFFFAOYSA-N 456.344 2.219 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CCNC(=O)[C@@H](C)CCC)CC1 1760268467 KGHNRFFBOMUZPK-SFHVURJKSA-N 465.602 2.167 30 10 JEEE C#CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@H](CNC(C)=O)C1 1760279370 AWMCPWMOIQQKJC-QGZVFWFLSA-N 465.583 2.313 30 10 JEEE C#CCSCCn1c(Cc2ccccc2F)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1760284447 MPPMANJFTFCRLN-QHCPKHFHSA-N 470.574 2.189 30 10 JEEE C=C(C)COCCn1c(-c2nnc(O)c3ccccc23)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1760355407 JKZZKLYCBUVHAG-INIZCTEOSA-N 472.571 2.200 30 10 JEEE C=C(C)COCCn1c(N2CCN(S(=O)(=O)c3csc(C)n3)CC2)nnc1C(C)(C)C 1760361404 KGAOUBCZCJQLDA-UHFFFAOYSA-N 468.649 2.444 30 10 JEEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCS(=O)(=O)c1ccccc1)C1CC1 1760476891 JMKPKKRIQQLGLQ-KRWDZBQOSA-N 464.613 2.199 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1760522270 PETAQTYHQBBTCB-OAQYLSRUSA-N 482.585 2.176 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cc(F)ccc3Br)n2CCNS(C)(=O)=O)C1 1760538187 CPBWAVQFDWUQQN-AWEZNQCLSA-N 488.383 2.177 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Br)c2)nnc1N1CCO[C@]2(CCOC2)C1 1760550516 ADSXYAHHCBWBLU-HXUWFJFHSA-N 497.415 2.304 30 10 JEEE CC(C)(C)c1ccc(OCc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@]2(O)CCS(=O)(=O)C2)cc1 1760719128 BTRVPONFWYNYLY-XZOQPEGZSA-N 491.589 2.146 30 10 JEEE CC[C@@H](C)NC(=O)CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCO[C@H](C#N)C1 1762031500 DZJOUTOYXNZLPA-NVXWUHKLSA-N 472.546 2.004 30 10 JEEE CN(C)C(=O)Cn1c(CNC(=O)c2cccs2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1766877698 DLGISBKMEMMWGM-UHFFFAOYSA-N 463.567 2.398 30 10 JEEE O=CC1CCN(C(=O)[C@@H](CCOc2ccccc2)N2CCN(C(=O)c3ccco3)CC2)CC1 1860616646 KAZMULRZWSDKEU-JOCHJYFZSA-N 453.539 2.313 30 10 JEEE O=C(C1=C(O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccccc1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 1862741015 ZQTGBLGKDTUYGX-FQEVSTJZSA-N 482.449 2.414 30 10 JEEE O=C(C1=C(O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccccc1C(=O)O)c1ccc([N+](=O)[O-])cc1 1862756895 DKDPEIOKPVCWGE-FQEVSTJZSA-N 481.461 2.204 30 10 JEEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)NCc1ccc(S(N)(=O)=O)cc1)n2CC=C 1873593883 VPMHREZCFRESPY-UHFFFAOYSA-N 466.567 2.373 30 10 JEEE COc1ccc(/C=N/n2c(SCC(N)=O)nnc2[C@H]2CC(=O)N(Cc3ccccc3)C2)c(OC)c1 1874210576 XFFMWXXPVGJKRB-XIMCHAMWSA-N 494.577 2.271 30 10 JEEE CCOc1c(/C=N/n2c(SCC(N)=O)nnc2[C@@H]2CC(=O)N(C(C)(C)C)C2)cccc1OC 1874274736 UXDINPRYAQOGHN-SWKNLOBNSA-N 474.587 2.259 30 10 JEEE O=C(CSc1nncn1/N=C/c1cc2c(cc1[N+](=O)[O-])OCCO2)NCc1ccccc1 1874541048 JGTJZZUQTLEHSG-FOKLQQMPSA-N 454.468 2.248 30 10 JEEE C=CCn1c(C(=O)N2CCC(C(N)=O)CC2)cc2c(NCCCCN3CCCC3)ncnc21 1875230880 QZXFGJUDKNFWEH-UHFFFAOYSA-N 453.591 2.243 30 10 JEEE C=CCn1c(C(=O)N2CCN(C(=O)OCC)CC2)cc2c(NCCCn3ccnc3)ncnc21 1875231225 FYZWIVNGZQZQEO-UHFFFAOYSA-N 466.546 2.230 30 10 JEEE CC(C)N1C(=O)CS[C@H](C(=O)N2CCC(C[C@@H]3NC(=O)N(C)C3=O)CC2)[C@H]1c1ccc(C#N)cc1 1890121951 RVDJMRBEROCIMR-NNWRFLSQSA-N 497.621 2.131 30 10 JEEE CC(C)([C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)[S@@](=O)CC(=O)NCC#N 2019031217 UHBZSNCCFKAGKE-IFXFPORBSA-N 483.546 2.145 30 10 JEEE CC(C)(C)OC(=O)N1CCN(CC(=O)N2CC[C@H]3C[C@]3(B3OC(C)(C)C(C)(C)O3)C2)C(=O)C1 2194129647 VZWMTUQDLKBYGA-HJPURHCSSA-N 463.384 2.151 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2247881075 QYCUECJWVXQMNB-ZDUSSCGKSA-N 458.411 2.335 30 10 JEEE CC(C)(C)OC(=O)NCC1CN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2255800912 WOUZFROWEPXOOX-UHFFFAOYSA-N 472.438 2.334 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@H]1CNS(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2255951037 YFDTYDBASVNCGV-YOEHRIQHSA-N 452.382 2.177 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)[C@H]1CN(C(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)CCO1 2267174776 WOBKOPNNEGORLX-DZGCQCFKSA-N 467.397 2.197 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H](NS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267359073 HYPHCMVVUZYNBT-CVEARBPZSA-N 467.397 2.105 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2Cl)C1 2267727952 MTXGXUOBTJAELG-SJORKVTESA-N 466.771 2.349 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@]2(CC(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2268798479 LCWCMVKKQAYOLF-YEJXKQKISA-N 464.397 2.235 30 10 JEEE Cc1c(C(=O)NC[C@H](NC(=O)OC(C)(C)C)C(F)(F)F)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281800384 IIAKYHLJGWLFAP-LBPRGKRZSA-N 476.305 2.213 30 10 JEEE Cc1c(C(=O)N[C@@H](C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281809305 ZBCLUFSABXNHGU-HOTGVXAUSA-N 462.400 2.403 30 10 JEEE Cn1ncc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC(C)(C)C2)c1B1OC(C)(C)C(C)(C)O1 2281810854 VPDYFGMOYFLPNB-UHFFFAOYSA-N 462.400 2.438 30 10 JEEE Cn1cc(C(=O)N[C@H]2C[C@H]3C[C@H]2C[C@@H]3NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2281962380 YHVKODSHECTFAI-FSDCSDTHSA-N 460.384 2.141 30 10 JEEE CCn1cc(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)nc1B1OC(C)(C)C(C)(C)O1 2282033466 UNFZYSFMNGBFLY-HZPDHXFCSA-N 462.400 2.435 30 10 JEEE CC1(C)OB(c2ccccc2S(=O)(=O)NC[C@H]2CCCCN2C(=O)C(F)(F)F)OC1(C)C 2282342448 HPVMBLBYWUSWSY-CQSZACIVSA-N 476.326 2.208 30 10 JEEE COc1ccc(S(=O)(=O)NC[C@@H](C)CNC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2282408434 IETWVDZXZGBWJT-HNNXBMFYSA-N 484.424 2.434 30 10 JEEE Cn1ncc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)CC2(F)F)c1B1OC(C)(C)C(C)(C)O1 2282538675 JFZLZVNAIDVMMA-AWEZNQCLSA-N 470.326 2.094 30 10 JEEE CCn1cc(C(=O)NC[C@@H]2[C@@H]3C[C@@H]3CN2C(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2282545547 XDIUIMKMBXPJEN-BFYDXBDKSA-N 460.384 2.187 30 10 JEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CC[C@](NC(=O)OC(C)(C)C)(C(=O)O)C1 2282558732 DPGXHSFITVBLGJ-JOCHJYFZSA-N 464.324 2.081 30 10 JEEE Cc1c(C(=O)N2CC[C@@H](C)N(C(=O)OC(C)(C)C)CC2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282593927 XEKKVCQBBQRUBA-OAHLLOKOSA-N 462.400 2.499 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H](F)C[C@@H]1CNC(=O)OC(C)(C)C 2282600987 XHQYUQTYPZHFSE-HUUCEWRRSA-N 466.363 2.280 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(B3OC(C)(C)C(C)(C)O3)c[nH]1)CCO2 2282646803 SUGVZWKZTUJYRI-QHCPKHFHSA-N 461.368 2.166 30 10 JEEE Cc1cc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2O)ccc1B1OC(C)(C)C(C)(C)O1 2282694492 HDNRVXRJZGAVBO-MOPGFXCFSA-N 460.380 2.394 30 10 JEEE CC(C)(C)OC(=O)N1CC([C@@H](F)CNS(=O)(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282864450 GERNOSWVSJDDLB-SFHVURJKSA-N 484.399 2.469 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](C2CN(C(=O)c3nccnc3B3OC(C)(C)C(C)(C)O3)C2)C1 2283055180 DXWBWAOPSWMHIR-OAHLLOKOSA-N 458.368 2.105 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)CC[C@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2284060396 MIHGQENSVIBKDT-ZBFHGGJFSA-N 465.331 2.219 30 10 JEEE Cc1c(C(=O)N2C[C@@H]3C[C@]3(CNC(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2288247410 MWFFULZHTYZKAZ-WNSKOXEYSA-N 460.384 2.015 30 10 JEEE COC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCc1c(F)cccc1B1OC(C)(C)C(C)(C)O1 2289646540 PMLLEAHFQGHGGR-SFHVURJKSA-N 466.359 2.323 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CS(C)(=O)=O)C(=O)N1CCC[C@H](B2OC(C)(C)C(C)(C)O2)C1 2313846782 BRWVOKILPLWLFO-GJZGRUSLSA-N 460.402 2.009 30 10 JEEE CN(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C)[C@@H]1CC[C@@H]1NC(=O)OCc1ccccc1 2315536898 OAVCAKUIBWQKAI-ZWKOTPCHSA-N 468.363 2.249 30 10 JEEE CC(C)(C)OC(=O)NC1([C@@H](O)C#CC2(S(C)(=O)=O)CC2)CCN(Cc2ccccc2)CC1 2319391430 QVPSZYAARLWRQY-FQEVSTJZSA-N 462.612 2.487 30 10 JEEE CC(C)(C)OC(=O)N1CC(OCCCNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)C1 2337064521 TWLQBBOHSOZXLH-UHFFFAOYSA-N 467.397 2.198 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)Nc1cc(F)c(B2OC(C)(C)C(C)(C)O2)c(F)c1 2341210816 OCFUNQMIYWEZPE-ZBEGNZNMSA-N 456.295 2.477 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2C[C@@H](C)CN(C(=O)OC(C)(C)C)C2)n1C 2362341963 WTLJMCIJBYSLIA-GDBMZVCRSA-N 462.400 2.403 30 10 JEEE Cn1ncc(C(=O)N2CCC3CC2(CNC(=O)OC(C)(C)C)C3)c1B1OC(C)(C)C(C)(C)O1 2366063343 YRJDLXJJPFLNHH-UHFFFAOYSA-N 460.384 2.239 30 10 JEEE COC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OCC#N)c(=O)n2[C@H]1c1ccc(O)c(OC)c1 8396588 ZWMDUXIPRLDWIY-IMEWXKHHSA-N 491.525 2.025 30 10 JEEE Cc1cc(C)nc(N/C(=N/C(=S)NCc2ccco2)NCCc2ccc(S(N)(=O)=O)cc2)n1 14157932 LZNNPWHEOZQLEA-UHFFFAOYSA-N 487.611 2.009 30 10 JEEE Nn1c(N/N=C/c2ccc(O)cc2O)nnc1SCC(=O)Nc1ccccc1Br 20292266 OURIFTZFRRNKBX-DNTJNYDQSA-N 478.332 2.342 30 10 JEEE COc1cccc([C@H]2c3c(nc(NCc4ccc5c(c4)OCCCO5)[nH]c3=O)NC(=O)[C@H]2C#N)c1O 72461306 MPWXMYXXHYYTNG-HNAYVOBHSA-N 489.488 2.481 30 10 JEEE CCN1C(=O)[C@@]2(/C(=C(/O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCOC)c2ccccc21 102579580 OWISIZRLLOGWEG-NJCFQMBCSA-N 464.474 2.047 30 10 JEEE CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 208073769 RLELUHNRBUUISA-QZTJIDSGSA-N 489.426 2.338 30 10 JEEE C#CCCN1C(=O)[C@H]2[C@H](C1=O)[C@](Cc1ccc([N+](=O)[O-])cc1)(C(=O)O)N[C@H]2c1ccccc1C 248099241 OSTMFBSDGMEBFY-UGCAPWQASA-N 461.474 2.238 30 10 JEEE C[C@@]12C=CC(=O)C=C1CC[C@H]1[C@H]2C(=O)C[C@]2(C)[C@@H]1CC[C@@]2(O)C(=O)COC(=O)CCC(=O)O 256501514 IMWBZDUOZWSUQI-MWXHZAIISA-N 458.507 2.182 30 10 JEEE CCOC(=O)COc1cccc(NC(=O)C(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)c1 501312423 AHSNGLHHMOJRNB-UHFFFAOYSA-N 487.516 2.336 30 10 JEEE Cc1ccc(C(=O)NCC[C@H]2CCN(C(=O)OC(C)(C)C)C2)cc1S(=O)(=O)NCC#N 731193822 FAGWEVGHGPDASY-INIZCTEOSA-N 450.561 2.174 30 10 JEEE C#CCOc1ccccc1CNC(=O)[C@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(C(C)C)cc1 1136809883 HMUDDYFCCWFJMV-RBBKRZOGSA-N 456.564 2.262 30 10 JEEE C=CCN(CC=C)[C@H](CNC(=O)N1CCO[C@@H](CN2C(=O)c3ccccc3C2=O)C1)C(C)C 1211221077 AJBDBNRGHIBPHI-DENIHFKCSA-N 454.571 2.392 30 10 JEEE C#CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1286322550 CIGVXCJWWPTRPF-IAGOWNOFSA-N 470.599 2.253 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H]2CCOC[C@H]2C)CC1 1286485410 KKRLFWIOWGJKOE-MHTWAQMVSA-N 472.634 2.477 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)c2ccc(O)cc2)CC1 1286507731 CCIISOMPVDBKJU-IBGZPJMESA-N 488.635 2.352 30 10 JEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccccc2F)C[C@H]1C 1286699675 HAEREVBCPCYTKL-NQIIRXRSSA-N 492.621 2.431 30 10 JEEE C=CCn1c(Cc2ccccc2OC)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1286776020 UMOCZLVPIHNHMA-UHFFFAOYSA-N 466.586 2.004 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2cc(C)cc(C)c2)C1 1286809234 HMZDTPKTILYYSQ-VXKWHMMOSA-N 489.642 2.252 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@H](C)c1cc(F)ccc1F 1286819915 ZKWBACLVQDOKPR-DYVFJYSZSA-N 453.515 2.306 30 10 JEEE C=CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1286827537 SCSZEUGWQRSXEX-HNNXBMFYSA-N 473.994 2.445 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOc1cccc(C(F)(F)F)n1 1300310074 WMLYTVPRSZANFA-ZIAGYGMSSA-N 457.478 2.131 30 10 JEEE C#CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1300365263 SDXKVKHDXRIBBF-QYZOEREBSA-N 488.589 2.325 30 10 JEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](Nc2ccccc2)C1 1300365391 VSAAYQXULOSLRN-VXKWHMMOSA-N 486.642 2.495 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@]1(O)CCO[C@H]1C 1300574881 OBGVWDRTGQAFRH-AFMDSPMNSA-N 474.565 2.239 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2C[C@@H](CC(C)C)N(C)C)CC1 1300690827 KBDRIWNQGCIVLQ-OAQYLSRUSA-N 452.603 2.448 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2CCCN2CCCO[C@H](C)C2)CC1 1300693078 RKLDODRHWWEPFF-OAQYLSRUSA-N 452.603 2.210 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)COCc2ccccc2)CC1 1300711308 XJUWYGYRDIPQKI-NRFANRHFSA-N 492.624 2.333 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2CCCO[C@@H]2CCOC2)CC1 1300719413 ZWSHXFUWJCMGTF-LJQANCHMSA-N 455.534 2.246 30 10 JEEE C#CCSCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCO[C@H](CNC(C)=O)C1 1300740669 AKOOYKNUILUBQX-SJLPKXTDSA-N 461.563 2.265 30 10 JEEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1300743202 IWAGAWLAUUVMFL-VGOFRKELSA-N 476.624 2.099 30 10 JEEE C#CCSCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCCN(C(C)=O)CC1 1300756090 FEPORONWSKYQPG-UHFFFAOYSA-N 493.637 2.490 30 10 JEEE C#CCSCCn1c(N2CCN(C(=O)OC(C)(C)C)CC2)nnc1[C@]1(OCC)CCOC1 1300778180 OQIBECGHSPXTAN-QFIPXVFZSA-N 465.620 2.354 30 10 JEEE C=C(Br)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1300857515 DMPKMSKBHAFDAF-UHFFFAOYSA-N 493.454 2.039 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2OC)nnc1N1CCN(C(=O)COC)CC1 1300896932 LZMHRXHQSBJXGW-DVECYGJZSA-N 485.585 2.142 30 10 JEEE C=C(C)COCCn1c(COc2cccc(C)c2)nnc1N1CCc2nn(C)c(=O)cc2C1 1300999402 AUEWIFBYBQIHCA-UHFFFAOYSA-N 450.543 2.415 30 10 JEEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1301435917 ABFAAMITAPGATE-FQEVSTJZSA-N 458.632 2.139 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1301507365 ZZQNGVHIYJVZNG-UHFFFAOYSA-N 464.549 2.044 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C(F)(F)F)C2)cc1 1301517564 ANAPDNKOUGAWFY-PBHICJAKSA-N 489.520 2.269 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc(C(N)=O)cc2)C1 1301543843 PWXKQUGNBLPZBJ-RDPSFJRHSA-N 455.559 2.247 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(F)cc3)n2CC(=O)NCC(F)(F)F)C1 1301566411 PWNBINGGVYMYHO-INIZCTEOSA-N 457.428 2.456 30 10 JEEE C#CCN(C(=O)c1ccc(N2NC(=O)CCC2=O)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 1303656135 QBGUQQCMKXOFHV-UHFFFAOYSA-N 454.527 2.320 30 10 JEEE CCCN(CCn1c(C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1)C(=O)OC(C)(C)C 1307015195 HHDUSLRAHTZUFP-UHFFFAOYSA-N 471.610 2.474 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1CCCOC1)[C@H]1CCS(=O)(=O)C1 1358957906 CLGQXKZIFXRMOZ-HKUYNNGSSA-N 474.583 2.016 30 10 JEEE C#CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1358967182 FROLNCPPUMWMDU-ZNMIVQPWSA-N 491.536 2.238 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C 1358994181 HAHJUDSLRDTBDV-OALUTQOASA-N 475.615 2.043 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2CCC(C)(F)F)CC1 1359047188 VMVCZTDYSWQNCN-UHFFFAOYSA-N 464.542 2.281 30 10 JEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC=C(c2ccc(O)cc2)CC1 1359049920 YVDCIHQVJFAYOR-MRXNPFEDSA-N 461.613 2.254 30 10 JEEE C=CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CCN(S(C)(=O)=O)C1)C1CC1 1359254680 ZNBNPYYLMKOLME-OKZBNKHCSA-N 494.662 2.485 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CC(=O)N(C)C[C@@H]1C 1359329302 FAUFQGYRUMUSDT-ZDUSSCGKSA-N 455.943 2.005 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc3cccnc23)nnc1N1C[C@H](C)O[C@H](COC)C1 1359329623 PBTMOEWHRLFPND-HKUYNNGSSA-N 471.583 2.334 30 10 JEEE CC(C)(C)c1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CCS(=O)(=O)C2)cc1 1359497814 FDYCDHIBKFRCIA-XLIONFOSSA-N 473.599 2.318 30 10 JEEE Cc1cccc([C@H](CNC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)N2CCOCC2)c1 1477283259 BTLBVXVSDRIESA-ACRUOGEOSA-N 457.575 2.427 30 10 JEEE Cc1ccc(CC(=O)N2CCN(C(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC2)cc1 1478402483 AYRGDYNHLPSZIM-PMACEKPBSA-N 455.559 2.150 30 10 JEEE CCCN1CC[C@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2cccc(C#N)c2)C1 1500938113 BSTJUDDRHMFXPU-SFTDATJTSA-N 456.616 2.420 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1Cc1cccc(CS(C)(=O)=O)c1 1507541069 FPQBSQWOVZHEJI-MRXNPFEDSA-N 471.608 2.320 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCSCC)c1 1507550874 RBHYNANKALTUCL-GOSISDBHSA-N 475.640 2.380 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(Cl)nc1)[C@@H]1CCS(=O)(=O)C1 1507624813 DRYAXYPWGXKBRN-GCJKJVERSA-N 494.017 2.042 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1cccc(N(C)C)c1)[C@H]1CCS(=O)(=O)C1 1507631554 FIWGGHPIMWCLJO-SFTDATJTSA-N 457.600 2.261 30 10 JEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1OCCC1(C)C 1507642006 NTTIRTLOWQGDPT-SFHVURJKSA-N 454.600 2.435 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccccc2Br)n1C[C@H]1CCCN1S(C)(=O)=O 1507648090 UNUCOXGELGOUHL-MRXNPFEDSA-N 476.400 2.204 30 10 JEEE C=C(Cl)Cn1c(COc2ccccc2F)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1507871960 CQLHHLCBJHDFCD-KRWDZBQOSA-N 499.996 2.380 30 10 JEEE C=CC[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CC[C@H](S(C)(=O)=O)C1)c1ccccc1 1507927725 CACYNQXEBMTQMQ-PMACEKPBSA-N 457.600 2.384 30 10 JEEE C=CCOc1ccc(Cn2c(-c3cnn(C)c3)nnc2N(CC)[C@@H]2CCS(=O)(=O)C2)cc1 1508100918 RDIZBXSQWDNIEN-LJQANCHMSA-N 456.572 2.305 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C2CC2)C(=O)C1 1508133879 MZNJILXZFRBFRE-UHFFFAOYSA-N 467.954 2.149 30 10 JEEE CCC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1514260244 BTSPEDFKINOLRC-UQBPGWFLSA-N 467.618 2.405 30 10 JEEE CCN1CCN(C[C@H](C)Cn2c(N3CCN(c4ccc(C#N)cn4)CC3)nnc2C(C)(C)C)CC1 1515935671 GZDXRIRXYWEGPW-NRFANRHFSA-N 479.677 2.442 30 10 JEEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CCCC2)CCO1 1518910885 AXVHMEDJEGABNA-IBGZPJMESA-N 459.572 2.026 30 10 JEEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCO[C@H]1C(C)C 1539409000 LFPUKMNNSBJLDR-ICSRJNTNSA-N 474.631 2.385 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Br)cc3)n2CCOCCOC)CC1 1539470727 XJFOMSOEQKTUFY-UHFFFAOYSA-N 490.402 2.336 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2Cc2ncn(-c3ccccc3)n2)CC1 1539481261 JNIJGEQYPUAFPI-UHFFFAOYSA-N 460.586 2.462 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccc2OC)nnc1N1CCN(CCOC)C(=O)C1 1539637784 SVPNUPYWIUZCNP-YKSBVNFPSA-N 469.586 2.154 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCC(O)(C(F)(F)F)CC1 1540872762 ZRXXYWIXPLYJIX-UHFFFAOYSA-N 453.465 2.073 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCCN(CC)C(=O)C1 1540906818 CKTKJWRKCBSBAQ-UHFFFAOYSA-N 475.615 2.133 30 10 JEEE COc1ccc(-n2ccc(CNC(=O)C[C@@H](C)/N=C3/NS(=O)(=O)c4ccccc43)n2)cc1 1543860503 FFOJYWQXXNLLJD-OAHLLOKOSA-N 453.524 2.014 30 10 JEEE CCS(=O)(=O)N1CCC2(CC1)C[C@@H](C(=O)NC)N(c1ccc(C#N)c(C(F)(F)F)c1)C2 1548380239 QYRWHPCRHBTASR-KRWDZBQOSA-N 458.506 2.334 30 10 JEEE CNC(=O)[C@@H]1CN(C(=O)COC)C[C@H]1C1CCN(c2ccc(C#N)c(C(F)(F)F)c2)CC1 1548393461 AWPQKFSHLVKAJD-ZWKOTPCHSA-N 452.477 2.260 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1c(CC)nn(C)c1OC 1587621776 YRGZRHFWDLBSSQ-MRXNPFEDSA-N 474.569 2.486 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2C[C@@H]2CCCN(C(C)=O)C2)c1 1587692769 LCOZXDDPHUFRRE-NHCUHLMSSA-N 464.570 2.097 30 10 JEEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1cccc(OCC(=O)N(C)C)c1 1587984465 CHGGLSKIXINUTJ-UHFFFAOYSA-N 488.596 2.037 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1cccc(NC(=O)OC)c1)[C@@H]1CCS(=O)(=O)C1 1588064356 GUPFFWQENWSQQJ-OAQYLSRUSA-N 494.577 2.117 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(OC)ccc1OC(F)F 1588228119 BEOYJPYCCHABPU-MRXNPFEDSA-N 478.521 2.301 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2CCCCN2CCC)CC1 1588749760 AEBZPPKEXCORDZ-RDGATRHJSA-N 458.651 2.338 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCc2cccc(OC)c2)CC1 1588930004 KYTQQWNGNPMLKA-NRFANRHFSA-N 451.571 2.389 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2CCN2CCOC(C)(C)C2)CC1 1588962077 SUAAFCWGRYUUKU-UHFFFAOYSA-N 494.640 2.242 30 10 JEEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCC(S(=O)(=O)CC)CC1 1589303924 ASWKVLZFZCRRMB-AWEZNQCLSA-N 465.414 2.314 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1589543650 AFRMZCPRVZSLAK-CTNGQTDRSA-N 472.634 2.119 30 10 JEEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1593636585 OCBHCQNXKYYADW-IXDOHACOSA-N 453.609 2.496 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CCS(C)(=O)=O 1593740916 GLSUBASCOLYRJH-GOSISDBHSA-N 485.651 2.466 30 10 JEEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1594625117 DQSCWSIJSPCQCJ-LJQANCHMSA-N 464.636 2.264 30 10 JEEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@@H]3CCC[C@H](C2)C3O)cc1 1595607462 FXYYKSGCNZVORO-ZJALGTKESA-N 475.615 2.099 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](c2cccc(OC)c2)N(C)C)C1 1595714393 NPAVBCDKGQVLIC-NJDAHSKKSA-N 454.575 2.322 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N(C)Cc1ccc(Cl)c(F)c1 1595755609 ZEHMKGKDYJEHJC-UHFFFAOYSA-N 457.959 2.446 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1595831225 NYUYANPMAXRDRQ-IYWMVGAKSA-N 482.647 2.182 30 10 JEEE CCOC(=O)[C@H]1S/C(=N/C(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)N(C)[C@H]1C 1613976231 YBVCFXCUTWBRKX-JTAMSWEXSA-N 471.576 2.108 30 10 JEEE C#CCN(C(=O)CCn1c(=O)nc(O)c2ccccc21)C1CCN(C(=O)OC(C)(C)C)CC1 1651973094 DBECNAWEPRMCCD-UHFFFAOYSA-N 454.527 2.354 30 10 JEEE C#CCN1CCC(NC(=O)c2cc(S(=O)(=O)NCC(C)C)ccc2Br)CC1 1652173658 WVRZREIWYNMASY-UHFFFAOYSA-N 456.406 2.211 30 10 JEEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(Sc3ccccc3C#N)cc2)CC1 1671956277 ZZAPXPFXRCNQAP-UHFFFAOYSA-N 455.565 2.327 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@H]1CCCN(C(C)=O)C1 1689860634 FAQMJPYPHCJYKC-ISKFKSNPSA-N 477.657 2.359 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1c(CC)nn(C)c1OC 1690004849 IGRDDTZHQQZINY-UHFFFAOYSA-N 456.348 2.461 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CC1(S(C)(=O)=O)CCCC1 1690100817 DBENEUCCFSSPNF-UHFFFAOYSA-N 484.582 2.037 30 10 JEEE C#CCSCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCCN(CC)C(=O)C1 1690159978 SLTUGEGVPFSIBB-UHFFFAOYSA-N 473.599 2.396 30 10 JEEE C#CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC(CNC(C)=O)CC1 1690179133 OBNCSSAWIRNSQN-UHFFFAOYSA-N 451.600 2.236 30 10 JEEE C=C(C)COCCn1c(N2CCN(C3CCOCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1690320171 MAURJDGIODAMII-XMMPIXPASA-N 463.623 2.212 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCn2cncn2)C1 1690714030 CKLXZCWYZRELHF-FGTMMUONSA-N 458.567 2.122 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@H]2CCC[C@@H]21 1690715722 SJFOOASGLPZTTL-AEFFLSMTSA-N 463.991 2.451 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)nnc1C(C)(C)C 1690731814 QOQLRPBLNJADIO-UHFFFAOYSA-N 492.621 2.076 30 10 JEEE CC(=O)N1CCN([C@@H]2CN(c3nnc(COc4ccc(C#N)cc4)n3CC(C)C)C[C@H]2C)CC1 1690866272 MOJUGFHFBBLSTG-AUSIDOKSSA-N 465.602 2.374 30 10 JEEE COc1ccccc1SCc1nnc(N2CCO[C@H](C#N)C2)n1CCN1CCOC[C@@H]1C 1697627676 CYHUZPJFMXYODH-ZWKOTPCHSA-N 458.588 2.028 30 10 JEEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCC(C#N)CC3)n2Cc2ccccc2Cl)C1 1698312393 GHVZOIMGRUOMDN-GOSISDBHSA-N 464.979 2.053 30 10 JEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1C[C@@H]1CCSC1)[C@@H]1CCS(=O)(=O)C1 1705569225 DZUXXDHIVJIFFS-VQTJNVASSA-N 474.652 2.452 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2cccc(NC(=O)OC)c2)CC1 1705634914 MDFJPWJEVGDSGG-RUZDIDTESA-N 482.585 2.301 30 10 JEEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CC(CC)(CC)NC(=O)OC(C)(C)C)CC1 1705641951 ZUVYJUARHUTALD-UHFFFAOYSA-N 487.649 2.239 30 10 JEEE C#CCSCCn1c(-c2cc(Br)cn2C)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1705655067 BZSDYPHAXVGNCH-MRXNPFEDSA-N 496.456 2.039 30 10 JEEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1705685898 LDTADOABRDCDSZ-HOTGVXAUSA-N 477.425 2.111 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1cnc(C)s1 1705904111 FZTRKGUOAPJEET-QGZVFWFLSA-N 491.618 2.290 30 10 JEEE CC(C)C(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1708152555 FTUHFDACQHSYLO-SJORKVTESA-N 451.579 2.288 30 10 JEEE CNC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCC[C@H](O)C2)C1 1711347802 HHHBMOZAFNBEQU-AQNXPRMDSA-N 452.559 2.242 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1CC(C)(C)N[C@H](C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1722361701 OJXKNAQUIVLVPC-TZIWHRDSSA-N 493.637 2.491 30 10 JEEE C#CCN(c1nnc(CSc2ccc(C)cc2)n1C[C@@]1(OC)CCOC1)[C@H]1CCS(=O)(=O)C1 1722369846 HYBIDQFXQYQXIN-CVDCTZTESA-N 490.651 2.311 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2C[C@](O)(c2ccccc2)C(F)(F)F)CC1 1722439231 TXGGCBBPGLFENK-QHCPKHFHSA-N 470.499 2.469 30 10 JEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cc(C)nc(C(C)C)n2)CC1 1722453501 VHHYQMMUQAHFNV-UHFFFAOYSA-N 482.658 2.429 30 10 JEEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1722455865 QZSSRPVCAHTNTA-NRFANRHFSA-N 461.595 2.055 30 10 JEEE C=C(Br)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1722479176 CQWFNLBSWFTQDL-CABCVRRESA-N 483.344 2.371 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCN(C(=O)c2ccccn2)CC1 1722492774 URVBZDAUWGEZSV-ONTIZHBOSA-N 484.601 2.341 30 10 JEEE CC(C)Cc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CCN1CCCS1(=O)=O 1723317396 AWJCWLPPJLMCSK-UHFFFAOYSA-N 485.658 2.096 30 10 JEEE CN(C)S(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCOC2(CCCCC2)C1 1729342526 FWZUPWQMTQUMHT-UHFFFAOYSA-N 458.588 2.248 30 10 JEEE COC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2CCN(C(C)=O)CC2)C1 1729754655 GEJBOBDZCUYKEF-OAQYLSRUSA-N 480.569 2.377 30 10 JEEE COCC[C@](C)(O)Cn1c(CC2CCCC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1730633554 HZKYLKGXZBBTPP-DEOSSOPVSA-N 453.591 2.392 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1Cc1ccc(F)cn1)[C@@H]1CCS(=O)(=O)C1 1740619731 RAHTWILSBBXZHA-LJQANCHMSA-N 485.541 2.171 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccc(F)cc2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1740643521 JTOWODOXIUQSFM-KNQAVFIVSA-N 485.585 2.273 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1C[C@H](C(CC)CC)N1CCOCC1 1740644779 UBBRUBHUFFTBMC-JOCHJYFZSA-N 454.619 2.114 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccnc3)n2CC2CCN(C(C)=O)CC2)n1 1740688869 KTTOXEQDDWGCQN-UHFFFAOYSA-N 476.585 2.081 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2Cc2ncnn2C(C)(C)C)CC1 1740697507 HBEZZGUJTCUZDS-UHFFFAOYSA-N 464.574 2.112 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H]2CC=CCO2)CC1 1740701277 ASLAXXCUILUJGX-FQEVSTJZSA-N 465.554 2.273 30 10 JEEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1ccccc1 1740717695 YWFPHXXISSNUIA-VQTJNVASSA-N 475.640 2.319 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1sc(C)nc1C 1740774153 NAMKNFFWFHIKEH-INIZCTEOSA-N 454.622 2.135 30 10 JEEE C=C(C)Cn1c(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740785839 FIJVBVGLQZOEBV-ZCNNSNEGSA-N 487.649 2.368 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)NC(CC)CC)nnc2N2CCS(=O)(=O)CC2)cc1 1740966766 WGVXSYAMDDCSHL-UHFFFAOYSA-N 461.588 2.044 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2CC(=O)N(C)CC)C1 1740974835 QACDISOALGGWKO-OAHLLOKOSA-N 451.369 2.306 30 10 JEEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 1740999816 HEONBYRLWIIULE-UHFFFAOYSA-N 484.605 2.498 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1748650570 AGWKTUSYIDSMJU-XUVXKRRUSA-N 488.658 2.153 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2Cc2sc(C)nc2C)c1 1748693158 ZLICAPZZNKKYFT-SFHVURJKSA-N 463.567 2.407 30 10 JEEE C#CCN(c1nnc([C@H]2COc3ccccc3O2)n1CCCOC(C)C)[C@H]1CCS(=O)(=O)C1 1748817138 FVQVFPNAALRILU-GHTZIAJQSA-N 474.583 2.232 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN(C)CC(F)(F)F 1748881116 CFHBIBDFOAJBSV-UHFFFAOYSA-N 467.517 2.306 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCCN1C[C@@H](C)C[C@@H](C)C1 1748892070 INZJPUDPMYYORD-BHIFYINESA-N 459.660 2.401 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CC(=O)N(C)C2CCCCC2)CC1 1749017273 ZMNXLPDDVDOKCX-UHFFFAOYSA-N 497.669 2.391 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccco1)N1CCCC1 1749054208 PQRPXMBSJAWKEL-KGVIQGDOSA-N 460.604 2.311 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)COC)CC1 1749134024 TUEOIAMASMBDGJ-URXFXBBRSA-N 453.587 2.454 30 10 JEEE C=C(C)COCCn1c(C2CCCC2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1749226369 OZROFXGTRWLBKQ-UHFFFAOYSA-N 472.634 2.469 30 10 JEEE C=CCn1c(Cc2csc(C)n2)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1749635184 VFJRJGDVDUGNTF-QZTJIDSGSA-N 457.648 2.446 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(COc3cccc(C)c3)n2CCN2CCN(C(C)=O)CC2)C1 1749718451 VSCSURVKPGRPFF-HSZRJFAPSA-N 468.602 2.111 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1749730556 IIGBZFDWAUHMDA-UHFFFAOYSA-N 469.546 2.211 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CC[C@@](O)(c2ccc(F)cc2)C1 1749732079 OWBLGQWVDYTZOC-VGSWGCGISA-N 464.563 2.010 30 10 JEEE CC(=O)N1CCN([C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCCCCCO)C[C@@H]2C)CC1 1749883425 MISPOJMWZCIEHI-RDPSFJRHSA-N 479.629 2.358 30 10 JEEE C#CCCCn1c(COc2ccc(F)cc2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1760158106 DMHUAMZOHIUUFD-XXBNENTESA-N 468.577 2.398 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCO[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1760181045 OWYWWAZTPXVFTO-INMHGKMJSA-N 496.431 2.478 30 10 JEEE C#CCN(c1nnc(CC)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1760186859 RKWQPIVSWYQLKO-IAGOWNOFSA-N 453.609 2.017 30 10 JEEE C#CCN(c1nnc([C@H]2COc3ccccc3O2)n1CCN(CC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1760187010 SITFATZDETZEKJ-DENIHFKCSA-N 487.626 2.148 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@@H]1CCCCN1CC)[C@H]1CCS(=O)(=O)C1 1760191038 ZREQGDFKIQLPEZ-PMACEKPBSA-N 461.657 2.432 30 10 JEEE C#CCN(CC#CC)c1nnc(Cc2cccnc2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1760221261 PLPHMSUTGWIMBS-VXKWHMMOSA-N 460.561 2.073 30 10 JEEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCN(C)CC(F)(F)F 1760232774 DLDNYHBYJBYUEV-UHFFFAOYSA-N 450.513 2.406 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCCN2CCC[C@@H]2CO)CC1 1760263966 WLZJQSRBIVTHLJ-DNVJHFABSA-N 472.678 2.189 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1CCN(CC(F)(F)F)CC1 1760294861 ILKPTQMUAUFVJP-FXAWDEMLSA-N 473.565 2.447 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCCO2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1760335547 OBNIKHHPKRLDTD-VWPQPMDRSA-N 460.623 2.148 30 10 JEEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 1760341643 NHHRBHMXGWSHQE-HNNXBMFYSA-N 456.613 2.300 30 10 JEEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](OCCOC)C1 1760346436 ZRUBEDWBTINEMQ-MSOLQXFVSA-N 451.568 2.404 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@H](C)O[C@@H](CC)C1 1760515107 KWQAIOKZMZUKQY-ZFWWWQNUSA-N 451.369 2.352 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1760519196 VOIVSDCMGDBVLB-UHFFFAOYSA-N 495.628 2.119 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)c(Br)c2)nnc1N1CC(=O)N(C)C[C@@H]1C 1760551595 LITGDYDBPWHRKT-HNNXBMFYSA-N 496.431 2.284 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2cccc(C)c2)CC1 1760557352 IQOKJHIUJTZVEC-UHFFFAOYSA-N 483.642 2.376 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@@H]1CC[C@H](F)C1 1761498317 DGQYPCNGDVGXEO-WMQCIHAUSA-N 489.621 2.220 30 10 JEEE CCO[C@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@@H](C)N2CCN(CC)CC2)CCOC1 1767449067 CTNWHXIWCAIZQN-FGCOXFRFSA-N 459.639 2.086 30 10 JEEE COCCN(CCC#N)c1nnc(Cn2ccc3ccccc32)n1CC1CCS(=O)(=O)CC1 1771112965 DJOGUZMFKVGTEG-UHFFFAOYSA-N 470.599 2.472 30 10 JEEE C[C@H]1CCc2c(sc(NC(=O)COc3cccnc3NC(=O)NN3CCN(C)CC3)c2C#N)C1 1858794930 XPHRKBNQRDVGON-HNNXBMFYSA-N 483.598 2.441 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@H]2c2cccc([N+](=O)[O-])c2)cc1F 1862642470 LLFBMHLVEDFERJ-IBGZPJMESA-N 457.414 2.457 30 10 JEEE CC[C@](C)(NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1)C(=O)N1CCN(C(C)=O)CC1 1868794735 FRBVMXHCORCPEK-CVDCTZTESA-N 459.616 2.000 30 10 JEEE CCCC[C@H](NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(=O)N1CCN(C(C)=O)CC1 1868795217 JUTAGXSSEUJNPY-LEWJYISDSA-N 473.643 2.390 30 10 JEEE C=CCn1cc(OCC(=O)N=c2nc3nc(C)cc(C)n3[nH]2)c(=O)cc1CNc1ccc(C)cc1 1870853265 VJHLWYBZMUMVGA-UHFFFAOYSA-N 473.537 2.449 30 10 JEEE COc1ccc(N2C[C@@H](c3nnc(SCC(N)=O)n3/N=C/c3cccc(OC)c3)CC2=O)cc1 1874199165 HDTXKTPFXCWBRE-YEEYNWEUSA-N 480.550 2.275 30 10 JEEE COC(=O)c1ccc(/C=N/n2c(SCC(N)=O)nnc2[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1 1874209374 BZWFFEGDDPHBRZ-XDWZDTHNSA-N 492.561 2.040 30 10 JEEE COc1ccccc1-c1ccc(N2CCC[C@@H](C(=O)N(C)C3CN(c4nccnc4C#N)C3)C2)nn1 1891554509 KBIJHYADAIZDHA-GOSISDBHSA-N 484.564 2.377 30 10 JEEE CC(=O)Nc1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)N2CCN(c3ccc(C#N)cc3)CC2)cc1 1892344378 AACUCEUOVMZEMF-DEOSSOPVSA-N 495.605 2.409 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2255709683 ZOWXBXGOGKPDGU-UKRRQHHQSA-N 452.382 2.005 30 10 JEEE C=C(CS(=O)(=O)N[C@@H]1[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1OCC)B1OC(C)(C)C(C)(C)O1 2255796180 MRVFNOJIVAHHSG-HRCADAONSA-N 460.402 2.164 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(CN(C)C(=O)[C@H](O)CNC(=O)OC(C)(C)C)s1 2256614245 MBGLZXNLMJNFJU-OAHLLOKOSA-N 454.398 2.200 30 10 JEEE CN(Cc1csc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)C[C@H](O)CNC(=O)OC(C)(C)C 2256678154 AZTSWBDZCMFOQD-HNNXBMFYSA-N 454.398 2.281 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2O)s1 2267108766 YANIRXRYXWYMNU-HZPDHXFCSA-N 466.409 2.456 30 10 JEEE CN(CC(C)(C)CNC(=O)OC(C)(C)C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2267135830 BGUQOJVDRQDDQI-UHFFFAOYSA-N 450.389 2.342 30 10 JEEE Cc1nc(C(=O)N2C[C@H](NC(=O)C(F)(F)F)CC[C@@H]2C)c(B2OC(C)(C)C(C)(C)O2)s1 2267175177 ZCMLVPMAVSTYJL-CMPLNLGQSA-N 461.315 2.422 30 10 JEEE CC(C)(C)OC(=O)NCCN(CCO)C(=O)c1cccc(F)c1B1OC(C)(C)C(C)(C)O1 2267414040 JQGGEJGYTLABBL-UHFFFAOYSA-N 452.332 2.084 30 10 JEEE Cc1c(C(=O)N2C[C@H]3C[C@H]2[C@@H]3NC(=O)OCc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267529719 OWTBAVZZCKQFRB-WSTZPKSXSA-N 480.374 2.167 30 10 JEEE Cc1c(B2OC(C)(C)C(C)(C)O2)csc1C(=O)N1C[C@H](O)C[C@H]1CNC(=O)OC(C)(C)C 2267575917 HTGPTCYHRHNLEK-LSDHHAIUSA-N 466.409 2.456 30 10 JEEE C[C@@H](NC(=O)c1nn[nH]c1NC(=O)OC(C)(C)C)c1nscc1B1OC(C)(C)C(C)(C)O1 2268622138 IBIMMBYMOHPRSF-SNVBAGLBSA-N 464.357 2.398 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@H](C(=O)Nc3ncc(B4OC(C)(C)C(C)(C)O4)s3)[C@@H]2C1 2268654963 GJGRUEZRKZKZOA-IHRRRGAJSA-N 465.381 2.263 30 10 JEEE C[C@H](OCc1ccccc1)[C@H](NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)O 2269032162 LUHBAIIPNUNHHI-KSSFIOAISA-N 481.401 2.384 30 10 JEEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1N(C)C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2281827621 YEFOAEGFTFCFBP-NVXWUHKLSA-N 462.400 2.437 30 10 JEEE CC(C)(C)OC(=O)NCC1CC([S@](C)(=O)=NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2281927956 HIGQXWBKFDAQFC-ICZALSQNSA-N 482.412 2.250 30 10 JEEE CN(C[C@@H]1CCCN(Cc2ccccc2)C1)C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2281952739 AGONFELTRMXVDB-IBGZPJMESA-N 453.396 2.099 30 10 JEEE CC(C)(C)OC(=O)NCCOCCOCCNC(=O)c1ccsc1B1OC(C)(C)C(C)(C)O1 2282027151 MJSBIAHWKRAGKQ-UHFFFAOYSA-N 484.424 2.335 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)CC2(F)F)n1 2282529182 CCSZGQAAJDZAEB-AWEZNQCLSA-N 470.326 2.094 30 10 JEEE Cn1nc(C(=O)N[C@@H]2C[C@H](NC(=O)OC(C)(C)C)C23CCC3)cc1B1OC(C)(C)C(C)(C)O1 2282623080 CAENKIHSLBAOHI-CVEARBPZSA-N 460.384 2.285 30 10 JEEE Cc1cnc(C(=O)NCCOCCCNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2282645484 SNTPENUFDDYZJK-UHFFFAOYSA-N 463.384 2.350 30 10 JEEE CC(C)(C)OC(=O)N1CC(NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2Cl)(C(=O)O)C1 2282814880 SIMNJDOEVOVHAZ-UHFFFAOYSA-N 480.754 2.443 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CN(S(=O)(=O)c3cccc(B4OC(C)(C)C(C)(C)O4)c3)C[C@H]2C1 2282856827 YYLJZVYTSMPDBU-IAGOWNOFSA-N 478.420 2.473 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@H](CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2O)C1 2282883570 CAWDAWRZTGAXNP-INIZCTEOSA-N 462.352 2.057 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@H]1CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1O 2282974598 JCMQRCMSWDXXJC-MRXNPFEDSA-N 462.352 2.057 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](OCC(=O)N=c2ccc(Cl)c(B3OC(C)(C)C(C)(C)O3)[nH]2)C1 2284050271 YJUPJARQPVIKLS-CQSZACIVSA-N 481.786 2.421 30 10 JEEE CO[C@H]1C[C@](NC(=O)OC(C)(C)C)(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)c(C)n2)C1 2284055669 XKMYBASCPCSUCW-XLOAEROZSA-N 462.356 2.095 30 10 JEEE CN(Cc1ccccc1)C[C@H](NC(=O)c1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1)C(=O)O 2284493877 GOEYKJVKRKBIDS-FQEVSTJZSA-N 456.323 2.440 30 10 JEEE CC(C)(C)OC(=O)N(CCO)CC(=O)NCCc1c(F)cccc1B1OC(C)(C)C(C)(C)O1 2289666382 VEHUUDIHBWCPBC-UHFFFAOYSA-N 466.359 2.013 30 10 JEEE COc1ccc(C=C2Oc3cc(OCC(=O)NCCC(=O)O)ccc3C2=O)c(OC)c1OC 2297475435 LKDLHLKBDBOSTK-UHFFFAOYSA-N 457.435 2.298 30 10 JEEE CCOc1cc(C=Nn2c(SCC(N)=O)nnc2[C@@H]2CCCO2)cc(Br)c1O 2330940455 JRTLNNOJOUUDKP-LBPRGKRZSA-N 470.349 2.456 30 10 JEEE CCCNC(=O)CSc1nnc(CCOC)n1N=Cc1cc(Br)ccc1O 2331259636 FOXYNCMNTSDOCD-UHFFFAOYSA-N 456.366 2.436 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCCC2(C)CN(C(=O)OC(C)(C)C)C2)n1C 2362333520 UKOVNCCGYUQAAV-UHFFFAOYSA-N 462.400 2.405 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C1 2362351597 HOFVPWIOATYZEZ-HOTGVXAUSA-N 460.384 2.048 30 10 JEEE Cc1nn(C(C)C)c(C)c1/C=N/Nc1nnc(SCC(=O)NCc2ccc(F)cc2)n1N 20805403 XGRHHNOHUAYLLP-YSURURNPSA-N 459.555 2.380 30 10 JEEE COc1cc(/C=N/Nc2nnc(SCC(=O)Nc3ccccc3F)n2N)cc(OC)c1OC 20919836 YXZATVGZGXPWKF-AUEPDCJTSA-N 475.506 2.334 30 10 JEEE NC(=NO)c1cc([N+](=O)[O-])ccc1-n1cnc(I)c1I 312867251 NZPNAXWHDBOOGL-UHFFFAOYSA-N 499.006 2.084 30 10 JEEE CCCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1cc(C)ccc1C 729668405 IJIABPPDDQHLTR-UHFFFAOYSA-N 457.559 2.193 30 10 JEEE CCCSc1nnc(NC(=O)CSc2nnc(NN=Cc3cccc(O)c3)n2N)s1 1084018888 ZMJXWSDOVBMMCT-UHFFFAOYSA-N 465.590 2.228 30 10 JEEE N#Cc1ccc(N2CC[C@@H](C(=O)N3CCN(C(=O)COc4ccc(F)cc4)CC3)C2)c(F)c1 1125000454 ACIDDJCZIUSMKP-GOSISDBHSA-N 454.477 2.413 30 10 JEEE C=CCN(C(=O)c1cc(I)cc([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 1264995608 MNJDNYMYUASWIL-LBPRGKRZSA-N 450.254 2.015 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@@H]2OCCC2(C)C)c1 1286310080 WOYPMKFKJXIIJB-IBGZPJMESA-N 452.559 2.288 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCC[C@H](O)C1)[C@@H]1CCS(=O)(=O)C1 1286383996 OTYKUEGVFBLVJB-OIISXLGYSA-N 496.431 2.214 30 10 JEEE C#CCN(c1nnc(CC)n1C[C@@H](C)c1nc(-c2ccccc2)no1)[C@H]1CCS(=O)(=O)C1 1286393312 JYEUIJOQTGNALI-AEFFLSMTSA-N 454.556 2.321 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN(C)[C@@H](C)CC 1286438533 FBIQNYQYYLPZTO-IBGZPJMESA-N 455.632 2.431 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 1286438629 GPJWXVPWELPGNV-QFIPXVFZSA-N 457.538 2.307 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCNC(=O)[C@H](C)CCC)CC1 1286476387 VVZHRDLVWPMYLZ-LJQANCHMSA-N 466.586 2.024 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccnc(OC(F)F)c1 1286582573 ZTNMEEWMOUHCSK-MRXNPFEDSA-N 486.545 2.058 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)C[C@H]1c1cccc(OC)c1 1286778424 DEDCESCOUGQVHO-XLIONFOSSA-N 452.559 2.412 30 10 JEEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1286791440 ZOGPLXLGNLPYEU-QFIPXVFZSA-N 460.604 2.213 30 10 JEEE CC(=O)N1CCN([C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3C[C@](C)(O)C(C)C)C[C@@H]2C)CC1 1286886063 ANHTZXVAXUSODK-CNPGNWEMSA-N 479.629 2.213 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@H]1CN(Cc2ccccc2)CCO1)[C@H]1CCS(=O)(=O)C1 1300496660 SYPSDZFDTRUGLS-XZOQPEGZSA-N 499.681 2.394 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H](c1ccsc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1300499434 RRZKEDRZZOQLCK-RTWAWAEBSA-N 484.651 2.255 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cccc(CN2CCO[C@H](C)C2)c1 1300553706 PQPQWLCGPDRGPV-ZODMCCGTSA-N 477.609 2.344 30 10 JEEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCO[C@H]1CCOC1 1300602531 GLKDRJYLYBJFFC-SFHVURJKSA-N 460.604 2.202 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H](C(C)C)N1CCOCC1 1300665248 JTWHAKNOQISXMI-FQEVSTJZSA-N 455.559 2.117 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CC(=O)N(C)C)CC1 1300715777 CVXDZUHPJUNRKU-UHFFFAOYSA-N 487.608 2.407 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCCN2CCOC2=O)CC1 1300715882 HHNOUMIGAPLMAK-GOSISDBHSA-N 498.559 2.365 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@H](CC(C)C)N(C)C)CC1 1300726492 MQKNGEKLTJKMLT-QFIPXVFZSA-N 451.619 2.206 30 10 JEEE C=CCCCCn1c(N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1301198326 HAJWGRWGOMEXPI-RPWUZVMVSA-N 474.606 2.490 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1cccs1)N1CCCC1 1301296072 FBDWSQJXPIRUHT-ROUUACIJSA-N 480.660 2.132 30 10 JEEE CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCC(=O)NC1CCCCC1 1314389055 HDCQUCCRXZYCFT-UHFFFAOYSA-N 466.590 2.247 30 10 JEEE C#CCN(c1nnc(COc2ccccc2CC)n1Cc1cc(C)no1)[C@@H]1CCS(=O)(=O)C1 1358967454 KSHDZBVZYCUCIS-LJQANCHMSA-N 469.567 2.391 30 10 JEEE C#CCSCCn1c([C@H](CC)c2ccccc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1359048812 BUVUXERUQUWBJU-OAQYLSRUSA-N 480.638 2.114 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 1359057185 UTDXFLDDOSYWPP-MRXNPFEDSA-N 483.660 2.040 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 1359082622 NTXQDANJFPVMHP-AWEZNQCLSA-N 465.312 2.084 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCN(C(C)C)C(C)C)CC1 1359165198 KANSOBWOWWUHEJ-HXUWFJFHSA-N 468.668 2.276 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1359293380 OMLWJLRWXQMIJF-MOPGFXCFSA-N 483.548 2.270 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 1359304591 CCZNXJFFFMMUMV-SFHVURJKSA-N 485.520 2.383 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CCO[C@H](C(F)(F)F)C1 1359305103 SUSOESWTRVCQAM-KRWDZBQOSA-N 453.465 2.489 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1359305231 WYHPQZOSTXXRJZ-OAHLLOKOSA-N 494.383 2.022 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc3cccnc23)nnc1N1C[C@H](C)O[C@@H](COC)C1 1359329626 PBTMOEWHRLFPND-PKOBYXMFSA-N 471.583 2.334 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](Oc2ccccc2Cl)C1 1359331710 GNOPOROMHQGIKW-RDJZCZTQSA-N 479.990 2.141 30 10 JEEE C=CCSCCn1c(N2CC[C@@]3(CCS(=O)(=O)C3)C2)nnc1[C@]1(OC(C)C)CCOC1 1359346538 NSQDAHJYDFCBKL-RTWAWAEBSA-N 470.661 2.253 30 10 JEEE N#Cc1ccsc1N1CC[C@H](N2CCC([C@@H]3OCC[C@H]3NC(=O)C(F)(F)F)CC2)C1=O 1460139396 GEWZVTIKIRPRSU-PMPSAXMXSA-N 456.490 2.273 30 10 JEEE N#Cc1cc(S(=O)(=O)N2CSC[C@H]2C(=O)N2CCSCC2)ccc1C(F)(F)F 1474890982 GJOMJWKDEUCBRJ-AWEZNQCLSA-N 451.517 2.216 30 10 JEEE CCC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CCO1 1500240323 COQGZGZJCSRXCG-UYAOXDASSA-N 458.588 2.104 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1507588557 MZIQCAFTLSPHEY-OAQYLSRUSA-N 468.583 2.065 30 10 JEEE C#CCN(c1nnc(C2CCC2)n1C[C@H](C(CC)CC)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1507632031 IKJILQJUWTWDJF-FCHUYYIVSA-N 477.675 2.309 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)CC)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1507804112 IPRIWMAYLXVKSV-DSKINZAPSA-N 491.662 2.326 30 10 JEEE C=C(C)COCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@](C)(C(N)=O)C1 1507835897 PMHIABBKFUOAIQ-QFIPXVFZSA-N 460.966 2.156 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CCC(F)(F)F 1508136682 URJUXHBMXFNHCS-UHFFFAOYSA-N 480.534 2.338 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1508143395 GRPPTHNKRURQST-HOCLYGCPSA-N 459.494 2.021 30 10 JEEE CCOc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCC(=O)NC(C)(C)C)cc1OC 1516276470 IBBOTNXRFGLPIF-KRWDZBQOSA-N 456.547 2.386 30 10 JEEE N#Cc1ccc(N2C[C@H](C(=O)Nc3cccc(CN4CCNC(=O)C4)c3)CC2=O)cc1Cl 1523534952 DNPROEFGFOOKCM-QGZVFWFLSA-N 451.914 2.135 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc2cnccc2c1 1539126140 SWUOHHHMTXWHHI-NRFANRHFSA-N 468.583 2.209 30 10 JEEE C#CCCCn1c(CCCc2ccccc2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1539132061 BZKCDVNTSYDYEW-UHFFFAOYSA-N 495.653 2.420 30 10 JEEE C#CCN(c1nnc(-c2nnc(O)c3ccccc23)n1CCCCOC(C)C)[C@H]1CCS(=O)(=O)C1 1539215393 AXJXTLPJADVEQJ-SFHVURJKSA-N 498.609 2.426 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CC[C@@]2(CCOC2)O1 1539423235 UXKAKVVEKASPMN-MIOZMULLSA-N 489.617 2.473 30 10 JEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@]2(C1)OCc1ccccc12 1539497469 MRXNRUXHIYPNBR-VGSWGCGISA-N 475.640 2.281 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccsc2)n1CCNS(=O)(=O)Cc1ccon1 1539563711 NNCIALKSAJYQDR-HXUWFJFHSA-N 460.585 2.030 30 10 JEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(Cc2cccc(F)c2)CC1 1540005187 KFBXQLHLEFYITH-NRFANRHFSA-N 492.621 2.039 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1540864661 HLISAIDACNTYLO-QRQCRPRQSA-N 463.485 2.233 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1540864748 JRUIVIXLACWONT-UHFFFAOYSA-N 470.471 2.278 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1540872667 WZEKFOQLZUPOQS-UHFFFAOYSA-N 493.656 2.004 30 10 JEEE CC(=O)N1CCC(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)CC1 1540948090 DCKNRYWMBXDTIT-IRXDYDNUSA-N 472.615 2.333 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccccc1Cl 1541115741 DVGQFUYXZGMSDG-MAUKXSAKSA-N 466.995 2.103 30 10 JEEE CC(C)(C)OC(=O)N1CC(Cn2c(CN3CCCC3=O)nnc2N2CCC(CC#N)CC2)C1 1541199556 BDUUIXOTLBOSCI-UHFFFAOYSA-N 457.579 2.397 30 10 JEEE CC(C)(C)OC(=O)NCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1541218739 DPOYWVXCMFCKBM-RBUKOAKNSA-N 481.557 2.203 30 10 JEEE CCOC1CC(O)(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(NC(=O)C(C)C)CC2)C1 1548039360 DNYKMDMLZCXHQP-UHFFFAOYSA-N 466.586 2.488 30 10 JEEE C=CCn1c(SCC(=O)N2CC[C@@H](S(=O)(=O)NC)C2)nnc1-c1ccc(Cl)cc1 1566643629 FSQYJOAWGJZFMZ-OAHLLOKOSA-N 455.993 2.027 30 10 JEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCc1cccc(C(=O)N(C)C)c1 1587970148 QETJIQTYLBFWCL-UHFFFAOYSA-N 479.610 2.252 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCOc1cccc(C(F)(F)F)n1)[C@H]1CCS(=O)(=O)C1 1588074125 JOYXCKNWQDZXGU-JKSUJKDBSA-N 499.515 2.249 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CCOC)[C@H](CCC)C1 1589485001 WZQKWFMAGAMWQZ-BDTNDASRSA-N 474.650 2.432 30 10 JEEE C=CCN(CC=C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(=O)NCC(F)(F)F 1595184827 DESSENVNSLJAHY-UHFFFAOYSA-N 457.478 2.206 30 10 JEEE C=CCN(CCOC)c1nnc(-c2cccc3cccnc23)n1CC1(C(N)=O)CCOCC1 1595282021 CCTAXHDPUTZJMD-UHFFFAOYSA-N 450.543 2.414 30 10 JEEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCCN(Cc2ccccc2)CC1 1595577659 ZWQGYDIWCBNBEL-UHFFFAOYSA-N 493.637 2.284 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1595824150 XFYJWQHNYRKNSN-IBGZPJMESA-N 481.582 2.057 30 10 JEEE CC(=O)N1CCN(CCn2c(COc3ccc(C#N)cc3)nnc2N(C)CCC(C)C)CC1 1596296483 DSJMGFFOASAQCL-UHFFFAOYSA-N 453.591 2.375 30 10 JEEE C=C(Cl)C[C@H](NC(=O)c1ccc(CC)c(S(=O)(=O)N2CCOCC2)c1)C(=O)OCC 1596777423 BAGQZLPIYDDXGX-KRWDZBQOSA-N 458.964 2.074 30 10 JEEE COc1ccc(CCN2C[C@@H](C(=O)N3CCc4c(sc(N)c4C#N)C3)CC2=O)cc1OC 1603038842 HQGCJYMDKIIZMH-HNNXBMFYSA-N 454.552 2.195 30 10 JEEE Cc1nn(C)c(N2CCN(c3nnc(-c4cccc(C#N)c4)n3C[C@H](C)N(C)C)CC2)c1C#N 1612469758 FZJGLFYTSOJLDE-KRWDZBQOSA-N 458.574 2.007 30 10 JEEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2cccc(C(=O)N3CCC[C@H](CO)C3)c2)cc1 1637769939 ZBZNMTSNONZIQV-KRWDZBQOSA-N 457.552 2.248 30 10 JEEE CCS(=O)(=O)N1CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)[C@H](C)C1 1653534381 CXOPXGOQRZVWFR-QGZVFWFLSA-N 457.600 2.319 30 10 JEEE C=CCN([C@H](Cc1ccccc1)C(=O)OCC)S(=O)(=O)c1cccc(S(C)(=O)=O)c1 1661408168 OCCKUVSKMIFSEZ-HXUWFJFHSA-N 451.566 2.441 30 10 JEEE C#C[C@H](CO)NC(=O)Nc1cc(I)cc(I)c1 1670584461 XZYUQZBGVSCGRR-SECBINFHSA-N 456.021 2.011 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC1(O)CCOCC1 1689847554 BWPZLHJIWWYLTI-KRWDZBQOSA-N 450.543 2.235 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1Cc1nccs1)[C@@H]1CCS(=O)(=O)C1 1689984709 TXIFYYOPEHLRER-MRXNPFEDSA-N 473.580 2.094 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H](C)N1CCN(CC)CC1 1690003747 WRWXUVXWQLCLMG-GOSISDBHSA-N 472.435 2.145 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc2c(cc1OC(F)F)OCO2 1690077009 GPHBMIBVNLNHDT-ZDUSSCGKSA-N 468.482 2.018 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)ccc3Br)n2CCCn2ccnn2)CC1 1690114632 BECZWGUKISMZJQ-UHFFFAOYSA-N 485.390 2.153 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CCCN(C)CC(F)(F)F)CC1 1690142788 UHCCLAONJFBHRT-UHFFFAOYSA-N 463.508 2.190 30 10 JEEE C=CC[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cnn(C)c1)c1ccccc1 1690445491 YGOMSHYKXDCROP-FGZHOGPDSA-N 499.641 2.341 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 1690677953 FYXQYESZTXUOEX-HUUCEWRRSA-N 453.469 2.489 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N(C)Cc1ccc2c(c1)OCCO2 1690723915 DCICJWXTGXRQPB-SFHVURJKSA-N 462.572 2.181 30 10 JEEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@H](C(F)F)N2CCOCC2)[C@H](C)C1 1690838167 CGWJBGNGAHVBCK-DYESRHJHSA-N 487.555 2.230 30 10 JEEE CCCN(CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](C(=O)NC)C1)C(=O)OC(C)(C)C 1695336933 CIFAYCSKRJDMEB-FQEVSTJZSA-N 497.600 2.415 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1Cc1cccnc1OC)[C@@H]1CCS(=O)(=O)C1 1705561014 MSZYCACFQAOJGJ-LJQANCHMSA-N 497.577 2.041 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1Cc1cnccc1OC)[C@@H]1CCS(=O)(=O)C1 1705562936 NCVLABWLAFKGPA-QGZVFWFLSA-N 472.958 2.072 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CC(=O)N(CCOC)C1 1705602174 KSWUMOBQYUVBQY-RTWAWAEBSA-N 498.628 2.308 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)Nc2ccccn2)n1CCS(=O)(=O)CC 1705619083 GNMFFTYTYMCGPI-UHFFFAOYSA-N 470.530 2.139 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1nccs1 1705619452 QUINHLJMBNFHCS-OAHLLOKOSA-N 462.576 2.366 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2Cc2ccc(N(C)C)nc2)CC1 1705636550 OOQOOCQUAXVLKY-UHFFFAOYSA-N 461.570 2.227 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCCOCC2CCOCC2)CC1 1705649483 ZMFVCAYXVRENLR-UHFFFAOYSA-N 468.602 2.083 30 10 JEEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1705666816 DURZNXJDPBJAKM-UWJYYQICSA-N 473.574 2.361 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H]1CC(=O)N(CCOC)C1 1705715356 BLNQQIHRQNAHAE-KRWDZBQOSA-N 465.558 2.491 30 10 JEEE C=C(C)COCCn1c([C@H](C)CC)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1705731542 WQAPIMXQDBDUJA-RTBURBONSA-N 455.625 2.015 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCC(OCCN2CCCC2)CC1 1705900782 PCBHKHCAMIZIJK-UHFFFAOYSA-N 453.591 2.032 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](c2ccccc2F)C1 1705909312 SUFJXFXGZDMKKP-SCWSEQNSSA-N 459.522 2.021 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCNC(=O)OC(C)(C)C)C1 1705914815 QMCAJZRVIHSZQK-MRXNPFEDSA-N 457.535 2.231 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccc3F)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1705923739 MMFJOCQFLWRTDH-MOPGFXCFSA-N 463.579 2.213 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1705937500 WHTGMLSLDMASLZ-DLBZAZTESA-N 451.618 2.097 30 10 JEEE C=CCSCCn1c(N2CCO[C@@H](CNC(C)=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705949613 CYANGKKRMQCZDG-OTWHNJEPSA-N 494.662 2.309 30 10 JEEE CC[C@@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1708618004 HWJRADCRFPHBEL-RTBURBONSA-N 498.595 2.498 30 10 JEEE CN(C)C(=O)[C@@H]1CCCN1CCCn1c(COc2ccccc2F)nnc1N1CC[C@](F)(C#N)C1 1710973577 AGGRYCSIBUENHX-CYFREDJKSA-N 487.555 2.381 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccnc(OCc2ccccc2)c1 1722279812 USVMMGAYWQFUSH-ROUUACIJSA-N 468.583 2.369 30 10 JEEE C#CCCCCn1c(-c2cc(Br)cn2C)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1722311541 XLIZPWZYMBHQFN-HNNXBMFYSA-N 483.436 2.320 30 10 JEEE C#CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC(NC(=O)COC)CC1 1722321802 KVYMSLBQUAEJNR-UHFFFAOYSA-N 452.559 2.292 30 10 JEEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1722324988 BRWHVNPSSHZKID-RUZDIDTESA-N 496.568 2.199 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Br)n1CCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1722364410 ZNASJVIFQUFEJC-QGZVFWFLSA-N 492.443 2.430 30 10 JEEE C#CCN(c1nnc(CC)n1Cc1ccc(N2CCC(C)CC2)nc1)[C@@H]1CCS(=O)(=O)C1 1722366791 KOLXNQNHODCMCL-HXUWFJFHSA-N 456.616 2.147 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CCCn1cccn1)[C@H]1CCS(=O)(=O)C1 1722367759 XLNKSDLUTBORNF-KRWDZBQOSA-N 474.537 2.061 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1cc(F)ccc1F)[C@H]1CCS(=O)(=O)C1 1722368588 TTZOTAQQUHGHLP-YJBOKZPZSA-N 450.511 2.125 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCn1ccnc1C 1722426700 MOWIIVPCBJRLTA-FQEVSTJZSA-N 487.605 2.268 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1722433115 LSDJCMMXEBNDEL-KRWDZBQOSA-N 474.407 2.049 30 10 JEEE C=C(Br)Cn1c(-c2cccc(OC)c2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1722479372 FJFZYTBWERTZIA-INIZCTEOSA-N 470.393 2.380 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(N2CCCC2=O)c1 1722502739 VXGYYOHEYCEHAM-KRWDZBQOSA-N 460.604 2.466 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCOC2)nnc1N1CCC(C(=O)NCCCOC)CC1 1722506741 GAHVLMNEHGUUSK-NJYVYQBISA-N 461.607 2.132 30 10 JEEE C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1722543199 FXHAJCRIAWQTMB-OAHLLOKOSA-N 477.953 2.408 30 10 JEEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1722552084 LOAJFFVFNHAVDX-PMPSAXMXSA-N 482.969 2.274 30 10 JEEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(c2nc(C)cc(OCC)n2)CC1 1722683166 CHLLSCKPKPHQLQ-UHFFFAOYSA-N 483.598 2.358 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)Cc1cnn(CC)c1 1722692512 OTSQJUPRPMSNKU-UHFFFAOYSA-N 450.547 2.302 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2nccc(C(F)F)n2)C1 1722711660 WFKONSJRFCKBJN-QVKFZJNVSA-N 450.490 2.487 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2nccc(C(F)F)n2)C1 1722711662 WFKONSJRFCKBJN-YCRPNKLZSA-N 450.490 2.487 30 10 JEEE C[C@@]1(C#N)CCCN(c2nnc(COc3ccccc3F)n2CCN2CCCS2(=O)=O)C1 1724014789 GRPWQTMCTPBIBN-NRFANRHFSA-N 462.551 2.162 30 10 JEEE N#C[C@H]1CN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCNC(=O)c2cc[nH]n2)CCO1 1731188260 CSDGOJSUIICQAT-ZDUSSCGKSA-N 461.313 2.134 30 10 JEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1 1740566643 ITXTWJJNMZVOJE-FCEUIQTBSA-N 470.643 2.260 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@H]1CSCCS1)[C@H]1CCS(=O)(=O)C1 1740619131 MMQQUHRBZZFBLI-HKUYNNGSSA-N 478.665 2.429 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccc(CSC)cc1)[C@@H]1CCS(=O)(=O)C1 1740626578 LXDCEAAMXOFAPI-VQTJNVASSA-N 460.625 2.320 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@H](C)Oc1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1740627208 ZDRFHNVMTPDIFJ-PZJWPPBQSA-N 495.605 2.367 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1cc(Br)ccc1F 1740632319 ZREFEOJEMVBETN-CQSZACIVSA-N 482.379 2.105 30 10 JEEE C=C(C)Cn1c(N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740785262 RQCMFKVTBPKWJC-QEEIZYTISA-N 487.605 2.439 30 10 JEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1740868184 GIYSPOPUUDPWRZ-IBGZPJMESA-N 471.631 2.438 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(S(C)(=O)=O)CC1 1740923370 KQNVUWMFQPYOQP-HNNXBMFYSA-N 470.642 2.012 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC[C@@](C)(CC)O1 1740931732 BDZVLFDVYPTVOR-BBTUJRGHSA-N 453.609 2.137 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCCN(C(=O)c2ccsc2)CC1 1740958818 VNEOWUSDBSNGGW-SFHVURJKSA-N 458.588 2.236 30 10 JEEE C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H](C)CN1CCOCC1 1741875963 AVJCZVAHQXNEDO-QYZOEREBSA-N 474.631 2.043 30 10 JEEE CCCC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1745123627 BIHDVEUNHRRPIG-LEWJYISDSA-N 499.641 2.126 30 10 JEEE CNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)c2nccs2)CC1 1748287495 FSXNOWPHRGKDTR-MRXNPFEDSA-N 466.571 2.450 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2Cc2oc(CC)nc2C)c1 1748694852 QXMFAJPIOMCOMQ-UHFFFAOYSA-N 475.553 2.364 30 10 JEEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CCc1ccc(CC)cc1)[C@@H]1CCS(=O)(=O)C1 1748806094 ZEXDMGUTDVWUBE-RCZVLFRGSA-N 486.638 2.362 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CC1([S@@](C)=O)CCC1)[C@@H]1CCS(=O)(=O)C1 1748809491 UKJRSEORAKDRPR-PLTNMMHCSA-N 474.652 2.435 30 10 JEEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H](c1ccccc1)N1CCOCC1 1748830520 XXGBCNBDZWCEQL-RPLLCQBOSA-N 477.609 2.465 30 10 JEEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H](C)N1CCN(CC)CC1 1748912473 DTXOAMHNYGRIQH-IBGZPJMESA-N 486.690 2.032 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2C[C@@]2(O)CCOC2)CC1 1748984762 QBWHSXIRLWNIAC-VWLOTQADSA-N 453.587 2.277 30 10 JEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 1749033821 NIFURQXCMGFPOG-QGZVFWFLSA-N 462.620 2.431 30 10 JEEE C=C(C)COCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@H](CC(N)=O)C1 1749213446 KKXBETVUQOJLBG-GOSISDBHSA-N 489.646 2.231 30 10 JEEE C=C(C)COCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@@H](C(=O)OC)C1 1749222548 IZYKLPSKDLEQOC-QGZVFWFLSA-N 466.542 2.267 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CCCOC2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1749367680 YINXTXCQERSDPX-SFHVURJKSA-N 478.619 2.414 30 10 JEEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1749663477 GRUQJFYXYVEQQX-MOPGFXCFSA-N 493.612 2.107 30 10 JEEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@H]1CSC 1749669575 LXKDRRYEVBLROA-SFHVURJKSA-N 456.620 2.086 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCn2cc(Br)cn2)C1 1749711796 CMPQNEJKZUTWQM-RDJZCZTQSA-N 499.435 2.011 30 10 JEEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2nccs2)C[C@H]1C 1749898160 AVROHBKOJNYOSE-QGZVFWFLSA-N 453.572 2.390 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@]1(C)CCCS1 1750965057 CDZWOCAVLFLKLA-JOCHJYFZSA-N 454.604 2.295 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCS(=O)(=O)CC=C 1760113961 ZSXZHPRSLDWFBC-ROUUACIJSA-N 465.620 2.451 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCc1c[nH]c2c(C)cccc12)[C@H]1CCS(=O)(=O)C1 1760182096 GMFTYLVNQHGMPC-IBGZPJMESA-N 482.610 2.075 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1c(F)cccc1Cl)[C@H]1CCS(=O)(=O)C1 1760187965 MITNNCPVPDCUPZ-GJZGRUSLSA-N 452.939 2.250 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC=C(Br)C1 1760315814 JESHLVUHHZQERS-YCPHGPKFSA-N 474.425 2.358 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2c(c1)COC2 1760337022 LYYVGJLGZUEKLA-HXUWFJFHSA-N 461.588 2.092 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc(-c2cnn(C)c2)n1CCN1CCCS1(=O)=O 1760483546 UACJHVYZKXQJKM-UHFFFAOYSA-N 459.551 2.046 30 10 JEEE C=CCn1c(Cn2nc(C)cc2C)nnc1N1CCC(CC(=O)N2CCN(CC)CC2)CC1 1760513667 VMOKSCNDGZZJHX-UHFFFAOYSA-N 454.623 2.096 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCc2c(ccnc2N(C)C)C1 1760514393 DLHSNQJSPWSSDN-UHFFFAOYSA-N 488.596 2.473 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccccc2OCC)CC1 1760554260 XEYUIXUCWOCBTE-UHFFFAOYSA-N 485.614 2.005 30 10 JEEE C=CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1760564222 SKYJIWVAYHZGRH-INIZCTEOSA-N 477.660 2.214 30 10 JEEE CCC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCOC[C@@H]2C)CCN1CCOC 1763950880 HLRRZSIQDNEKIT-URXFXBBRSA-N 481.645 2.475 30 10 JEEE COc1ccc([C@H](C)CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)cc1 1768425237 AGDZOURPWJKGFT-POAQFYNOSA-N 459.572 2.111 30 10 JEEE COc1ccncc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(C#N)c1 1769007671 AEHZCMBZMLRNDA-GOSISDBHSA-N 452.540 2.140 30 10 JEEE C=CCOc1ccccc1[C@@H]1C(C(=O)N2CCC(C(N)=O)CC2)=C(N)Oc2c1c(CCC)nn2C 1865225474 WQRHTXMIIGBGGW-FQEVSTJZSA-N 479.581 2.356 30 10 JEEE Cc1ccc(S(=O)(=O)Nc2c(C#N)nnn2-c2ccc(N3CCN(C)CC3)cc2)cc1C 1870099734 VIDJQSZJRJQFBB-UHFFFAOYSA-N 451.556 2.308 30 10 JEEE CN1C(=O)c2ccc(-n3nnc(C#N)c3NC(=O)CNC(=O)c3ccc(Cl)cc3Cl)cc2C1=O 1870140596 ZLNOJPDLXZQWDF-UHFFFAOYSA-N 498.286 2.040 30 10 JEEE N#Cc1nnn(-c2ccc(F)c(F)c2)c1NC(=O)CCCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 1870155235 CSKZHNRTJYDMJC-UHFFFAOYSA-N 481.375 2.340 30 10 JEEE C=CCn1cc(OCC(=O)Nc2nc(C)c(C(=O)OCC)s2)c(=O)cc1CSCCO 1870308752 AXFUDKRRQWNKHO-UHFFFAOYSA-N 467.569 2.219 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)sc1CNS(=O)(=O)CCN1C(=O)c2ccccc2C1=O 1950859486 JGGOVGMVZBHHQF-UHFFFAOYSA-N 490.412 2.071 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N[C@]1(CO)CCN(C(=O)OC(C)(C)C)C1 2069749471 IZKCVQAYYRTKAJ-OPAMFIHVSA-N 454.568 2.452 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCC(=CB2OC(C)(C)C(C)(C)O2)CC1)C1CS(=O)(=O)C1 2197511760 WVDPBVYIKSMDJK-QGZVFWFLSA-N 484.424 2.105 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2COC[C@]2(C(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)C1 2206624964 UQWGXEWGXWYHRZ-NPMXOYFQSA-N 459.352 2.203 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC2CN(C(=O)OCc3ccccc3)C2)n1 2255635272 GKKGGEYPLTTXNS-UHFFFAOYSA-N 468.363 2.201 30 10 JEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O 2255826529 QFJKUPGUZVSHEN-HUUCEWRRSA-N 452.382 2.066 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CC(F)(F)F)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2256602249 XARSYPGANBFGEQ-SECBINFHSA-N 466.291 2.043 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](C(=O)NCc1sccc1B1OC(C)(C)C(C)(C)O1)C1COC1 2256629220 RERVFCBPHHKTKE-MRXNPFEDSA-N 452.382 2.203 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)[C@H]2C[C@@H](B3OC(C)(C)C(C)(C)O3)C2)CC1 2267118002 WAFMBKJTGWTUCV-IYBDPMFKSA-N 451.373 2.054 30 10 JEEE CC(C)(C)OC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1CC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2268691752 VUVUCIGLIDRATR-BFHYXJOUSA-N 464.397 2.376 30 10 JEEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)CC1 2282191200 MDFMFFMKNWMWBC-HUUCEWRRSA-N 463.388 2.070 30 10 JEEE CCn1cc(C(=O)N2C[C@H](F)C[C@@H]2CNC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2282527970 KXKSHKWYUOSDDT-HUUCEWRRSA-N 466.363 2.280 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CC23CCN(C(=O)OC(C)(C)C)CC3)n1 2282553615 SEFJXSMYECZOOC-MRXNPFEDSA-N 460.384 2.239 30 10 JEEE CN(C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1)[C@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C 2282554141 YVHOTOLPQSKJND-WBVHZDCISA-N 462.400 2.485 30 10 JEEE Cc1nn(C)c(C(=O)N[C@]2(CF)CCN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2282586279 WTIXIRDSSIVXGY-QFIPXVFZSA-N 466.363 2.107 30 10 JEEE Cc1c(C(=O)N[C@@H]2C[C@H]3[C@H]2CCN3C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282593602 SSMHCLYFPRJUEQ-XHSDSOJGSA-N 460.384 2.155 30 10 JEEE Cn1nc(C(=O)NC[C@@H]2C[C@@H]3[C@@H]2CCN3C(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2282615772 RVXQVVRTZUTRIJ-ZMSDIMECSA-N 460.384 2.095 30 10 JEEE CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1O 2282978220 KMDGCTGSXWUJPW-WMZOPIPTSA-N 462.352 2.056 30 10 JEEE CN(C(=O)c1sncc1B1OC(C)(C)C(C)(C)O1)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1F 2320556576 XDWLHJRTBLLRFL-KBPBESRZSA-N 455.361 2.472 30 10 JEEE CN1CC[C@](CNC(=O)OC(C)(C)C)(Oc2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)C1 2345678746 VWQYASPEDQEISZ-JOCHJYFZSA-N 451.348 2.498 30 10 JEEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1C[C@@H]2C[C@H](OCc3ccccc3)C[C@H]12 2359281002 ISVWDVQSPZSZOL-VJANTYMQSA-N 452.364 2.228 30 10 JEEE C[C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2362353775 MXNOKPDIKUETQQ-CVEARBPZSA-N 462.400 2.485 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1CC2(CCN(C(=O)OC(C)(C)C)C2)C1 2362354596 CCJOFLRUBFICFB-UHFFFAOYSA-N 460.384 2.239 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2CCO[C@@]2(CNC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C1 2362566164 FOXFTFDIFLENIT-PEBXRYMYSA-N 479.408 2.198 30 10 JEEE CC(C)(C)OC(=O)N1CCN(Cc2cccc(B3OC(C)(C)C(C)(C)O3)c2)[C@H](CC(N)=O)C1 2369316793 IMUYLDVOTMNFIC-LJQANCHMSA-N 459.396 2.283 30 10 JEEE COc1ccc(-c2cnc3ncnn3c2N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 25156324 VGGKIOTUXMUYTM-UHFFFAOYSA-N 475.534 2.182 30 10 JEEE COc1ccc(OCc2ccc(/C=N/Nc3nnc(SCC(=O)N4CCN(C)CC4)[nH]3)o2)cc1 253566112 IODLUHBWFDRCKJ-YDZHTSKRSA-N 485.570 2.297 30 10 JEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC(F)(F)F)cc2)c(=O)n1-c1ccccc1C#N 604001478 HBNLKLIWYMHUQA-UHFFFAOYSA-N 496.470 2.475 30 10 JEEE CCOc1cc(C=NNc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2N)ccc1O 1084097007 OVSNRGSTTCYTHS-UHFFFAOYSA-N 472.487 2.181 30 10 JEEE CCc1ccc(-n2ccc(=O)c(C(=O)N=C3C=CC(=[S@](=O)(O)N4C[C@H](C)O[C@@H](C)C4)C=C3)n2)cc1 1086820812 VRSNGEZHJFOLLP-ROUUACIJSA-N 496.589 2.456 30 10 JEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)CC(=O)N1CCC[C@@H](C(=O)OCC)C1 1142904891 OKTRXYPVRSMTPF-CVEARBPZSA-N 459.971 2.282 30 10 JEEE CCOC(=O)[C@H](NS(=O)(=O)c1ccc(C#N)nc1)c1ccc(OC)c(Br)c1 1211272957 AQALEZWCUPERQX-MRXNPFEDSA-N 454.302 2.307 30 10 JEEE COCCn1c(N)c(N(Cc2ccccc2)C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)c(O)nc1=O 1264065354 HHWAVYAOEAHKOD-VQTJNVASSA-N 459.506 2.386 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1286281771 IXBUCSZWCLMDRK-JPYJTQIMSA-N 460.600 2.378 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CC2(OC)CCCC2)c1 1286309771 URKCCPMSSRHMLZ-UHFFFAOYSA-N 452.559 2.432 30 10 JEEE C#CCCCn1c(COc2cccc(C)c2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1286356002 HXHPUYJGQPRQCP-NRFANRHFSA-N 450.543 2.346 30 10 JEEE C#CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1C[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1286397894 DMCHLPKVVABPQR-ZSXDVEMLSA-N 477.631 2.332 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CC1(SC)CCN(C)CC1 1286426452 WBODMRDRWNINCR-UHFFFAOYSA-N 454.600 2.296 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2Cc2cccc(C(=O)NCCC)c2)CC1 1286480657 OQLGLBBTTWODRY-JOCHJYFZSA-N 450.587 2.463 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CC(C)(C)SC)CC1 1286489231 KLOHARBBBPMYBQ-UHFFFAOYSA-N 479.614 2.028 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3c[nH]c4ccccc34)n2C[C@](C)(O)CCOC)CC1 1286489846 CZPSXMLWRQDILW-RUZDIDTESA-N 464.570 2.180 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2ccco2)CC1 1286492460 GBOQZNQWNVWCIE-HXUWFJFHSA-N 498.584 2.194 30 10 JEEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1286692380 DWIUKAVRAJZWTL-LJQANCHMSA-N 487.630 2.202 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@H](OC)C(C)(C)C1 1286780653 YBDSMEAHPSATPX-HNNXBMFYSA-N 451.369 2.210 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCCN(CCC)C(=O)C1 1286817479 UBLQSMHUJJGQLD-UHFFFAOYSA-N 461.588 2.003 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](c2nccs2)C1 1286817641 VVXYMXKBIFQRBK-GOSISDBHSA-N 470.580 2.452 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1286818976 VIYIKVDGVGFVJT-GOSISDBHSA-N 476.603 2.387 30 10 JEEE C[C@H](CC(=O)NC[C@@H](c1c(F)cccc1F)N(C)C)/N=C1/NS(=O)(=O)c2ccccc21 1293620133 BYRVPBWABVYFMU-DYVFJYSZSA-N 450.511 2.201 30 10 JEEE C=C(Cl)CSc1nc(C)c(CC(=O)N(CCN(C)C)[C@H]2CCS(=O)(=O)C2)s1 1294386576 DTUFYHSSUYDVFD-AWEZNQCLSA-N 452.067 2.416 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H]2CCCN(C(=O)Cc3ccccc3)C2)ccc1F 1296877170 RJOSWXUHXPKWSQ-LJQANCHMSA-N 459.543 2.254 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)s1 1300158165 XLGKMJDCOZNISC-UHFFFAOYSA-N 458.609 2.407 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1Cc1cnn(C)c1C)[C@@H]1CCS(=O)(=O)C1 1300482131 DDTKQCKHTPDBDU-GOSISDBHSA-N 490.536 2.263 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCCNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1300505734 HKIJHDRGVGWESY-ZWKOTPCHSA-N 481.619 2.061 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(Br)cn2C)n1CCCc1cnn(C)n1 1300559283 NKGJAYDBSXCLPY-UHFFFAOYSA-N 455.364 2.270 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(OCCN2CCCC2)cc1 1300579715 WCPSAHIRRDKLAM-QHCPKHFHSA-N 460.582 2.215 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](C)CN1CCN(CC)CC1 1300648267 MNLVAGNJVUBWOT-NZQKXSOJSA-N 481.620 2.282 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(F)c(COC)c2)CC1 1300682227 IIXDLYAQZUKGAX-UHFFFAOYSA-N 463.517 2.014 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC2CCOCC2)CC1 1300682323 KIEFEZDPQFAXHV-UHFFFAOYSA-N 456.978 2.043 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@@H](COC)OC)CC1 1300718455 OYROAZANXMNMRJ-SFHVURJKSA-N 475.977 2.234 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cccn(CC)c2=O)CC1 1300719092 OFCODVPOHUKESF-UHFFFAOYSA-N 469.549 2.012 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2(OC)CCCCC2)CC1 1300728590 ARTCIUULARIJTE-UHFFFAOYSA-N 467.618 2.455 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@H](C)N(C)C)CC1 1300730924 HCRPQSPLNANYMM-FQEVSTJZSA-N 452.603 2.390 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(=O)c2ccc(F)cc2)CC1 1300952024 FHCIBYYGPBNKLY-HXUWFJFHSA-N 491.589 2.426 30 10 JEEE C=C(C)COCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1300972060 FYEIWCDBHSRRTO-SFHVURJKSA-N 482.006 2.078 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(CCC(N)=O)CC2)cc1 1301524871 DOBLJPKUVIHDRZ-HXUWFJFHSA-N 487.626 2.275 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C2CCC2)CC1 1301567339 HLIKYALELQOHHF-UHFFFAOYSA-N 486.642 2.423 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1301588072 UPKVUJDCYXFDGQ-NRFANRHFSA-N 488.589 2.403 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CCC[C@H]1c1nncn1C 1301593470 OCXGMXYHPRYMTD-IBGZPJMESA-N 471.587 2.236 30 10 JEEE C=C[C@@H]1OCC[C@H]1NS(=O)(=O)c1cc(C)c(I)c(C(=O)OC)c1 1309505609 LFVCOZRXLSTZPN-OLZOCXBDSA-N 451.282 2.008 30 10 JEEE CNC(=O)[C@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCCO[C@H](C)C2)C1 1314960466 COQQLGQPUZDADC-KBMIEXCESA-N 465.602 2.280 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)CN2C(=O)N[C@@](C)(CC)C2=O)c(C(=O)OCC)c1C 1352312755 WUPSQGJWFXSVSP-FQEVSTJZSA-N 451.501 2.235 30 10 JEEE C#CCCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC(C(N)=O)CC1 1358905673 IEPUCQDTGVNRIH-UHFFFAOYSA-N 457.604 2.052 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1CCCSC)[C@@H]1CCS(=O)(=O)C1 1358959633 MRUGFPVSIHCDAH-QGZVFWFLSA-N 464.613 2.342 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1cccc(SCC)c1)[C@@H]1CCS(=O)(=O)C1 1358961015 QGSSJNDJESUISW-LJQANCHMSA-N 470.624 2.466 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1359293613 VJMJEZGISJKQNR-MRXNPFEDSA-N 475.391 2.314 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC(NC(=O)Nc2ccccc2)CC1 1359302829 VLKVXHIMGOTTQP-UHFFFAOYSA-N 474.569 2.357 30 10 JEEE CS(=O)(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CSCCS2)CC1 1505136923 FQXYIZBWKKXQRJ-SFHVURJKSA-N 478.669 2.137 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2scnc2C)c1 1507551734 YOLOVBDUIJQIQO-GOSISDBHSA-N 498.634 2.244 30 10 JEEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1507571994 UFAAUIJJRQVBIJ-VABKMULXSA-N 458.651 2.410 30 10 JEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCc1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 1507622065 AVPVTUWQRLMFQN-SFHVURJKSA-N 476.002 2.037 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1Cc1ccc(C#N)o1)[C@H]1CCS(=O)(=O)C1 1507635053 SDMRHFYXYJXALT-HNNXBMFYSA-N 471.489 2.287 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2C[C@@H]2CCOC[C@@H]2OC)CC1 1507742819 QZDVXEAABXBBNW-GOTSBHOMSA-N 465.598 2.195 30 10 JEEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1Cc1cccs1 1507750737 DCFZAKBWSXUYQY-HKUYNNGSSA-N 495.696 2.250 30 10 JEEE C#CCSCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1507754571 NWHGTTZNLLUXBV-OKZBNKHCSA-N 463.604 2.321 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2csc(N3CCOCC3)n2)n1CCC(=O)NC(C)C 1507765190 JNXYXHUCUCDKHR-JOCHJYFZSA-N 457.604 2.145 30 10 JEEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](Oc2ccccn2)C1 1507784269 HTWQPYMJDGNNKP-LSDHHAIUSA-N 468.377 2.142 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](C#N)C1 1507794312 FCPXMESOBDYKBH-GGPKGHCWSA-N 457.556 2.059 30 10 JEEE C=C(Cl)Cn1c(-c2cnccn2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1507865477 DFUUJJGXRHMIRS-CALCHBBNSA-N 458.998 2.114 30 10 JEEE C=CCCOCCn1c(N2CCN(C(C)=O)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1507965121 BFAHZPXBTKQMMK-KDURUIRLSA-N 462.595 2.310 30 10 JEEE CC(=O)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCCCS(C)(=O)=O)CC1 1508231871 JJYVWDRCTXPKJM-UHFFFAOYSA-N 488.614 2.002 30 10 JEEE COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@]2(N(C)C)CCSC2)cc1OC 1518165649 DVHYZMAKXKKCLJ-VGOFRKELSA-N 458.588 2.128 30 10 JEEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(NC(C)=O)CC1 1539126452 VIZOJRSTQZYQAG-IBGZPJMESA-N 460.579 2.105 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCOC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1539229453 DFJMPAXXPSWXKY-SESVDKBCSA-N 483.594 2.028 30 10 JEEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CCCN(C(C)=O)C1 1539347536 WFLNDHNWYYEKBC-LJQANCHMSA-N 471.631 2.265 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCc2ccc(F)c(F)c2F)CC1 1539489648 VKJAWIZVHJNKLX-UHFFFAOYSA-N 488.514 2.026 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1540865192 XOPQAXFMZFTWHL-MRXNPFEDSA-N 474.512 2.344 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC(OC[C@@H]2CCCCO2)CC1 1540873446 YDSLCKTXJUNIME-NRFANRHFSA-N 454.575 2.121 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1540898387 JATKPLVGCZYCLO-UHFFFAOYSA-N 491.614 2.469 30 10 JEEE CC(=O)N1CCC(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)CC1 1540948088 DCKNRYWMBXDTIT-DLBZAZTESA-N 472.615 2.333 30 10 JEEE CCN(CC)C(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCN2CCCO)CC1 1547417352 ALHLGMXHGFEZKR-HSZRJFAPSA-N 494.644 2.247 30 10 JEEE CCOc1ccc(S(=O)(=O)N2CCN(c3ccc(C#N)c(C(F)(F)F)c3)[C@H](C(N)=O)C2)cc1 1548367649 CCAMRODTHKAWDI-IBGZPJMESA-N 482.484 2.341 30 10 JEEE CN(C)[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)c1ccco1 1552794090 CZDFHIMCLFVBDM-QUCCMNQESA-N 484.582 2.248 30 10 JEEE C#CCn1cc(CNC(=O)c2ccc(OC)c(S(=O)(=O)N(C)Cc3ccccc3)c2)cn1 1556465522 KYJKWSIUMHQDBD-UHFFFAOYSA-N 452.536 2.276 30 10 JEEE C#CCC1(NC(=O)CN2CCN(Cc3ccc(Br)cc3F)CC2)CCOCC1 1558417885 LVHQEZDJYJHCDF-UHFFFAOYSA-N 452.368 2.395 30 10 JEEE C#CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](Cn2cccn2)C1 1587769436 HGFGWCTWWYLEEW-LEWJYISDSA-N 499.616 2.492 30 10 JEEE C#CCN(c1nnc(-c2ccc3ccccc3n2)n1CCCCCO)[C@H]1CCS(=O)(=O)C1 1588045488 LUTZMWGYBKHRHR-IBGZPJMESA-N 453.568 2.283 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OC(F)F)cc1 1588181524 WFQDDVGHTRDBGE-HNNXBMFYSA-N 451.499 2.001 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2CC(=O)N(C)C2CCCCC2)CC1 1588871845 STOALLQILSCDED-UHFFFAOYSA-N 480.613 2.412 30 10 JEEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(Cn2cncn2)CC1 1589007741 PXGMDWASWWWBFH-UHFFFAOYSA-N 485.639 2.223 30 10 JEEE C=C(Br)Cn1c(N2CCC(NC(C)=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1589459685 BOVDXGCAAWNZFP-IBGZPJMESA-N 456.385 2.332 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(OC)cc2)nnc1N1CCN(C(=O)NC)CC1 1589567224 CAASOZPNDKYHSG-AVRDEDQJSA-N 470.574 2.308 30 10 JEEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1593696255 MIHVEQSRJFIKMT-WOJBJXKFSA-N 469.590 2.065 30 10 JEEE C=C(Cl)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1593835203 WQDLIYRBDYSCLS-HNNXBMFYSA-N 482.994 2.225 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCNS(C)(=O)=O 1595213272 YGLFSPIVTROHSR-QGZVFWFLSA-N 468.624 2.120 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1595639563 CFSSWNQCQFOKHY-RBUKOAKNSA-N 452.559 2.277 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1595798512 PUKQKNFAGFNPKL-QUCCMNQESA-N 451.637 2.084 30 10 JEEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN(C)C(C)C)C1 1615972577 GMJMXCSAOGWWCH-HXUWFJFHSA-N 459.620 2.065 30 10 JEEE COc1cc(Cl)ccc1-c1nnc(N(C)[C@@H](C)CC#N)n1CCN1CCCS1(=O)=O 1619101161 FDYQDBWSSLVOGR-AWEZNQCLSA-N 452.968 2.381 30 10 JEEE COc1ccncc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1619468836 ADPOTQARTODBMU-IBGZPJMESA-N 452.540 2.282 30 10 JEEE C=C(C)Cn1c(SCC(=O)NC2CCN([C@H]3CCN(C)C3=O)CC2)nnc1-c1ccco1 1623643597 KININVLZISGLOL-KRWDZBQOSA-N 458.588 2.018 30 10 JEEE Cc1c(C#N)c(NC(=O)CN2CCN(S(=O)(=O)C3CC3)CC2)n(-c2ccc(F)cc2)c1C 1643861401 GMZLJGYTZXGLHR-UHFFFAOYSA-N 459.547 2.153 30 10 JEEE C=CCNC(=O)c1cccc(S(=O)(=O)NC2CCN(C(=O)c3cc(Cl)c[nH]3)CC2)c1 1661878287 JCHFCSRIOUMWGL-UHFFFAOYSA-N 450.948 2.167 30 10 JEEE C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCN(Cc3cn4ccccc4n3)CC2)cc1 1676350298 GNBJNBHMLQVUJD-KRWDZBQOSA-N 452.540 2.370 30 10 JEEE C=CC[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)c1ccncc1 1677731160 QHTAPNYLLBTWCH-IBGZPJMESA-N 458.540 2.186 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(N2CCOCC2)nc1 1689830593 BEDNLOFXEQWXRU-CYFREDJKSA-N 454.575 2.057 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1c[nH]c2c(CC)cccc12 1689852451 FLAODFMOLJLKQM-UTKZUKDTSA-N 484.626 2.355 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2C[C@@H](C)O[C@H](C)C2)c1 1689872272 SXZWPTUKJVVYJC-DBXWQHBBSA-N 499.637 2.440 30 10 JEEE C#CCCCn1c(N2CCN(CC(=O)N[C@@H]3CCC[C@H](C)C3)CC2)nnc1[C@]1(OCC)CCOC1 1689940682 AKVUOYAYCHZKDN-VRUMLPLGSA-N 486.661 2.161 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCC[C@@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1689996772 NZLSMYQRDQHAMW-SFTDATJTSA-N 474.631 2.116 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@](C)(O)c2cc(C)oc2C)CC1 1690132850 YPODVEGGUXWSLU-DEOSSOPVSA-N 482.610 2.142 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)CC1 1690146395 MTZBQHJHAOQDGK-IEBWSBKVSA-N 474.606 2.003 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1690235837 FIGZWNOXNTUCTN-MOPGFXCFSA-N 473.622 2.125 30 10 JEEE C=C(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1690284669 QDSAMPCHQRYSCH-ROUUACIJSA-N 489.646 2.182 30 10 JEEE C=CC1CCN(c2nnc(CN3CCCC3=O)n2CCOc2ccc(S(C)(=O)=O)cc2)CC1 1690414617 DHBOQPXFYKASDE-UHFFFAOYSA-N 473.599 2.285 30 10 JEEE C=CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCS(C)(=O)=O 1690465216 VNKNGXMHQFJUIB-QGZVFWFLSA-N 471.624 2.424 30 10 JEEE C=CCN(CCOC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@]1(O)CCOC1 1690622618 TWVWNDHYHUWQEP-HSZRJFAPSA-N 465.595 2.183 30 10 JEEE C=CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1690640827 ITNKVJGTXIMMRE-ZWKOTPCHSA-N 479.585 2.228 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](CN2CCCC[C@H]2C)C1 1690659598 XPRZJQGUBUZWMQ-WOJBJXKFSA-N 480.617 2.318 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[C@H](CN2CCOCC2)C1 1690660864 PSCKJZQJDWSLPX-RTBURBONSA-N 472.565 2.018 30 10 JEEE CN(C)C(=O)CC1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(C(N)=O)nc2)CC1 1696578571 AQEIDBZXILYDHY-UHFFFAOYSA-N 472.553 2.054 30 10 JEEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1Cc1nnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1705568430 NMAUDDBEVNDYMF-MRXNPFEDSA-N 493.014 2.345 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@](C)(O)c1cc(C)oc1C 1705576044 DOXZSIUJMSCLFQ-DEOSSOPVSA-N 456.510 2.111 30 10 JEEE C#CCN(CC#CC)c1nnc(Cc2c[nH]c3ccccc23)n1CCN/C(O)=C1\N=CC=CC1=O 1705600104 MDGNIAWUOQBNSY-OCOZRVBESA-N 467.533 2.340 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H](C)CN1CCCC1 1705606869 JDQZKJITKOUAQQ-IBGZPJMESA-N 458.632 2.387 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1705633177 LEXKFNPMIUXZFX-OALUTQOASA-N 475.590 2.137 30 10 JEEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](c2ccccc2)[C@H]1C 1705661600 GEGIVMSDJPQAMV-GIVPXCGWSA-N 489.667 2.360 30 10 JEEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)COc2ccc(F)cc2)CC1 1705662967 RNNZMPHOWLKVAG-UHFFFAOYSA-N 494.596 2.497 30 10 JEEE C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN([C@H](C)C(=O)NCCCOC)CC1 1705722977 SPGUGVFGEKHNCA-MRXNPFEDSA-N 494.438 2.275 30 10 JEEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1705829786 CATIBHGJFGFASO-MZYLBHOOSA-N 474.650 2.144 30 10 JEEE C=CCCOCCn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1705832945 ODERSYCBRUWFKQ-OAQYLSRUSA-N 460.623 2.247 30 10 JEEE Cc1ccc(-c2nc(Cn3c([C@H]4CN(S(C)(=O)=O)CCO4)nnc3N(C)C[C@H](C)C#N)co2)cc1 1707340226 BDLXMPDFGONYJS-YLJYHZDGSA-N 499.597 2.219 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H](c1cccc(OC)c1)N(C)C 1708756359 ARATXAMLCQBMKU-SFTDATJTSA-N 469.590 2.237 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCNc1nccc(C(F)(F)F)n1 1722293613 SBTYKAKKXASHQR-LBPRGKRZSA-N 462.436 2.385 30 10 JEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1 1722324487 SIWGIVZHANTCNO-IRXDYDNUSA-N 482.651 2.431 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H]1CCCOC1)[C@@H]1CCS(=O)(=O)C1 1722360068 YUNPUJYIYZFDQA-PZJWPPBQSA-N 485.610 2.201 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1cccc(OCC)c1)[C@H]1CCS(=O)(=O)C1 1722364198 FCJHSFKDQMYWJP-NRFANRHFSA-N 465.579 2.338 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@]1(O)CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1722372068 ORHUDFXSZAAOIA-DCLXLUIPSA-N 472.611 2.343 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(CN2CCC(O)CC2)cc1 1722387880 PZOBQLKFJSWEKH-UHFFFAOYSA-N 497.603 2.393 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccoc1 1722422362 RAHKFRFVPTYRJQ-FQEVSTJZSA-N 473.530 2.031 30 10 JEEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CCCN(C)CC(F)(F)F)CC1 1722439823 QVJDQNLUAXSTJZ-UHFFFAOYSA-N 455.554 2.273 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@H](O)CC2(CCCC2)C1 1722491484 LOOBCRJCEJYLPX-MKXGPGLRSA-N 467.636 2.001 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1722537953 IYLQSNQYUAELLX-NHCUHLMSSA-N 490.649 2.364 30 10 JEEE C=CCCOCCn1c(N2CCN3C(=O)CC[C@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1722627432 OJCUUGSOHHICCD-OTWHNJEPSA-N 474.606 2.453 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](CC)c2ccccc2)nnc1N1CCN(C2CC2)C(=O)C1 1722723643 BHYGHVJYQSJCBB-HXUWFJFHSA-N 457.600 2.232 30 10 JEEE CC(=O)N1CC[C@H](CN(C)c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC=CCO2)C1 1722760039 MXJDSKJULLDTBO-IRLDBZIGSA-N 450.543 2.378 30 10 JEEE Cc1nn(C)c(C)c1CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)C(C)C)CC1 1725836031 CMKBXJRSPCGWAP-UHFFFAOYSA-N 489.628 2.262 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](OC)[C@H](C)CC)c1 1740562879 NRZMPQIQLKKAIU-UXPWSPDFSA-N 452.559 2.347 30 10 JEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1740574146 JVFQFSBJGSNJJL-QFIPXVFZSA-N 482.610 2.455 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1Cc1nccc(C(F)F)n1)[C@@H]1CCS(=O)(=O)C1 1740621165 UHNXRWKGNZQOHI-CQSZACIVSA-N 493.927 2.396 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1740625009 LVDULFJEPYNPTD-NRFANRHFSA-N 460.575 2.451 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CCC(=O)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1740627714 JSVRTVJWOGKMKJ-OAQYLSRUSA-N 499.637 2.195 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@]2(C)CN(C)C2=O)CC1 1740690381 IXJZTDHZARUUPP-SBUREZEXSA-N 456.978 2.305 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCO[C@@H](C)c2ccccc2)CC1 1740705014 AKYZTTZVDOWYQM-UGKGYDQZSA-N 478.597 2.363 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(C)(C)c2cccc(F)c2)CC1 1740706125 PXFDOBMIYZNMCC-HXUWFJFHSA-N 466.561 2.312 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CCCN2CCCC[C@H]2C)CC1 1740707232 UWGFMOKGKKFVRE-OAQYLSRUSA-N 463.630 2.494 30 10 JEEE C=C(Br)Cn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1740739991 HFQFVKCGRDGLAB-CZUORRHYSA-N 481.347 2.231 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1740760116 GTOUKDCDXJYPTF-NMLBUPMWSA-N 467.636 2.267 30 10 JEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(OC(F)F)cc1 1740947212 SJLMQXMLEOFCIZ-INIZCTEOSA-N 457.503 2.035 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CC[C@@H](C2CCOCC2)C1 1740964255 MJDKTUZHANUBPK-LJQANCHMSA-N 455.559 2.421 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(c2ncccc2F)CC1 1740965741 LPQHAEPFBUXTNK-YLJYHZDGSA-N 471.581 2.360 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OCCC)c(OC)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1748657818 JVEWHHVGTKDTFV-MSOLQXFVSA-N 475.615 2.482 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2Cc2ccc(C)nc2)c1 1748694216 AVBIDMYPPMLFQM-UHFFFAOYSA-N 457.538 2.208 30 10 JEEE C#CCN(c1nnc(CC2CCCC2)n1Cc1ccc(NC(C)=O)nc1)[C@@H]1CCS(=O)(=O)C1 1748820537 DHPNQRMRIROZKS-HXUWFJFHSA-N 470.599 2.039 30 10 JEEE C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)C[C@@H](C)CC 1749103808 DQHSMAYOUZZVMD-ZFWWWQNUSA-N 464.430 2.392 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOc1ccc(S(C)(=O)=O)cc1 1749158687 KQKPRVYGHCMFSI-QGZVFWFLSA-N 482.628 2.065 30 10 JEEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1749285548 OCFATNRXSBCGTK-ZCNNSNEGSA-N 474.993 2.103 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCN2CCCC[C@H]2C)CC1 1749342732 MWYTYHPILRJCEU-TZIWHRDSSA-N 480.679 2.278 30 10 JEEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1749640170 BMHCSQVGCCDXMX-UHFFFAOYSA-N 471.631 2.027 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCN(c3ccc(C)cc3)CC2)nnc1[C@]1(OCC)CCOC1 1749740165 RMKURHWUUYIHDE-DEOSSOPVSA-N 489.642 2.166 30 10 JEEE N#Cc1cccc(-c2nnc(N3CCC(CCC(N)=O)CC3)n2C[C@@H]2CCCN2CCCO)c1 1750381013 GEUBWPNMCNFERL-QFIPXVFZSA-N 465.602 2.145 30 10 JEEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](COCCOC)C1 1760154769 HZRQFQAPADIBHT-UXHICEINSA-N 477.606 2.489 30 10 JEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCOC1CCOCC1 1760174582 MCJZSONSERAKRG-IBGZPJMESA-N 463.579 2.242 30 10 JEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CCCN(C)C(=O)OC(C)(C)C 1760248233 FIFGMAOSNWVMJY-UHFFFAOYSA-N 474.562 2.349 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCCN2C[C@@H](C)C[C@H](C)C2)CC1 1760273228 MDAIBCVZCDUOPA-JAXLGGSGSA-N 456.635 2.463 30 10 JEEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(Cc2csc(C)n2)CC1 1760287370 PXSVDDUABKTNTF-ICSRJNTNSA-N 476.672 2.456 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1COC(C)(C)OC1 1760411499 AMWIDOCVNVTJAP-SFHVURJKSA-N 485.651 2.049 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1760557025 XUXAUOVAUQIZOO-SFHVURJKSA-N 465.645 2.366 30 10 JEEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H](c2ccco2)C1 1760557633 SATDMOLHQXPSHV-MRXNPFEDSA-N 475.596 2.457 30 10 JEEE CC(C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@@]1(N(C)C)CCSC1 1760932034 HMXYGWYGGHAQNQ-JTSKRJEESA-N 455.636 2.216 30 10 JEEE CCOc1cc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2CCN2CCOCC2)ccc1O 1862564268 WHSWUNMKDZBWBQ-JOCHJYFZSA-N 467.522 2.284 30 10 JEEE COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2C[C@@H](C)O)cc(OC)c1O 1862612206 DBWMSOLLWXMNQU-ODXCJYRJSA-N 471.462 2.140 30 10 JEEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1862685305 SRPUWIFHHNWBHP-HXUWFJFHSA-N 485.424 2.220 30 10 JEEE N#Cc1ccc(NC(=O)CNC(=O)C[C@@H](c2cccc(Br)c2)c2nn[nH]n2)cc1 1868163523 QBTVEPRGJGECLK-INIZCTEOSA-N 454.288 2.111 30 10 JEEE CCOC(=O)c1ccc(N2C[C@@H](C(=O)Nc3c(C#N)nnn3Cc3cccc(OC)c3)CC2=O)cc1 1870108993 GBZZEFWOZPCWJW-SFHVURJKSA-N 488.504 2.375 30 10 JEEE C#CCOc1cn(Cc2ccncc2)c(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1=O 1870560517 ZUQCSPHVURYYSW-UHFFFAOYSA-N 472.545 2.350 30 10 JEEE Cc1cc(CNC(=O)[C@H]2SCC(=O)N(C(C)C)[C@@H]2c2ccc(C#N)cc2)nc(N(C)C)n1 1889366233 SLOCYLQHXRSGEA-RTWAWAEBSA-N 452.584 2.433 30 10 JEEE COCCCn1c(C(=O)NCC#CCN2CCc3ccccc3C2)cc2c(=O)n3ccccc3nc21 1890367244 OOJDFEPNHOQXMH-UHFFFAOYSA-N 483.572 2.477 30 10 JEEE COc1ccc(-c2ccc(=O)n(CCCC(=O)N3CCN(c4ncccc4C#N)CC3)n2)cc1 1892235454 OBQUDHNWIKCHMZ-UHFFFAOYSA-N 458.522 2.315 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)N[C@]1(CO)CCN(C(=O)OC(C)(C)C)C1 2069749470 IZKCVQAYYRTKAJ-KSFYIVLOSA-N 454.568 2.452 30 10 JEEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(CO)(CNC(=O)OC(C)(C)C)CC1 2082783504 ZHIQEHUPVPOOCZ-QGZVFWFLSA-N 453.580 2.419 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](O)CN(C(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2255707066 RGDPINNYOQQAGY-KGLIPLIRSA-N 452.382 2.147 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H]1NS(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2255751825 DOUSQQALGFXFTM-RHSMWYFYSA-N 452.382 2.177 30 10 JEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CC(O)(CNC(=O)OC(C)(C)C)C1 2255825651 CTKHWCLWFKYDSB-UHFFFAOYSA-N 452.382 2.067 30 10 JEEE CN(Cc1ccccc1)[C@]1(CNC(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)CCOC1 2266993982 OTFQEKXYNHLCRE-QHCPKHFHSA-N 457.405 2.463 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](NC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)CCO1 2267164900 YCMQHJJMOWYSST-UONOGXRCSA-N 467.397 2.244 30 10 JEEE CC(C)(C)OC(=O)N1CCOCCN1S(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2267376868 ASOPMGCCCQNZSY-UHFFFAOYSA-N 468.381 2.159 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2Cl)[C@H](O)C1 2267727949 MTXGXUOBTJAELG-DLBZAZTESA-N 466.771 2.349 30 10 JEEE CC[C@H](CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(O)cc1O)NC(=O)OC(C)(C)C 2267805503 KERBZUMHCCGNIQ-CYBMUJFWSA-N 450.341 2.430 30 10 JEEE CC(C)(C)OC(=O)N1CC2CC1(CCC(=O)N=c1nc(B3OC(C)(C)C(C)(C)O3)[nH]s1)C2 2268655144 IGTKQTMMNMCJQN-UHFFFAOYSA-N 464.397 2.377 30 10 JEEE CC(C)[C@@H]1[C@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)CCN1C(=O)OC(C)(C)C 2268718118 ORQYRRQKCFADSQ-ZIAGYGMSSA-N 466.413 2.479 30 10 JEEE CC(C)(C)OC(=O)N1CC(CO)(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2F)C1 2281774467 YGADYUFSTKPIBP-UHFFFAOYSA-N 464.343 2.084 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](O)CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2F)C1 2281790361 JLIGVQYNTUPHCV-CVEARBPZSA-N 464.343 2.225 30 10 JEEE Cc1c(C(=O)NC[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281795392 DZVMCMCFWVYJPN-CVEARBPZSA-N 462.400 2.451 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(C)C[C@@]1(O)CCN(Cc2ccccc2)C1 2281958485 GUWLZZLNPZKHTQ-DEOSSOPVSA-N 471.432 2.460 30 10 JEEE C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)CCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2282052728 CAZOTKDAKJJWBM-JKSUJKDBSA-N 462.400 2.485 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@@H]1CCCN(C(=O)C(F)(F)F)C1 2282127467 YMDHCNCUALELKZ-AWEZNQCLSA-N 457.302 2.338 30 10 JEEE CC(C)(C)OC(=O)N1CCC(CO)(NC(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)CC1 2282181308 DOGMHUCLNMABIX-UHFFFAOYSA-N 460.380 2.478 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1COC[C@@H]1NC(=O)c1cc(F)ccc1B1OC(C)(C)C(C)(C)O1 2282406898 QFAGVGSBYOQUJY-KDOFPFPSSA-N 464.343 2.394 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)c(F)c2)[C@H](CO)C1 2282463748 DSNNQTYOIYJCHB-INIZCTEOSA-N 464.343 2.179 30 10 JEEE Cn1cc(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 2282553486 RJEFNJPCISPXEQ-ZMSDIMECSA-N 460.384 2.237 30 10 JEEE C[C@@H]1CN(C(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)C[C@@H]1CCNC(=O)OC(C)(C)C 2282556607 KNGGTGXAHAQGIQ-CVEARBPZSA-N 462.400 2.342 30 10 JEEE Cc1nn(C)c(C(=O)N2CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2282560209 TXOSAZVRWCRTTA-GOEBONIOSA-N 462.400 2.403 30 10 JEEE Cc1nn(C)c(C(=O)NCCCOCCOCc2ccccc2)c1B1OC(C)(C)C(C)(C)O1 2282584713 WJJRJSJQWSQDMT-UHFFFAOYSA-N 457.380 2.381 30 10 JEEE Cn1nc(C(=O)NC[C@@H]2C[C@H]3[C@H]2CCN3C(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2282615773 RVXQVVRTZUTRIJ-ZOBUZTSGSA-N 460.384 2.095 30 10 JEEE Cc1ccc(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 2282679615 BYCHARQRFWHURB-QFBILLFUSA-N 460.380 2.252 30 10 JEEE CC1(C)OB(c2cncnc2C(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C(F)F)OC1(C)C 2282698202 AIBMKTCJLYOCNZ-AEFFLSMTSA-N 458.318 2.271 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H]1CC[C@@H]1NC(=O)OC(C)(C)C 2282871492 IBLMGYUMWWNTLT-HOTGVXAUSA-N 482.408 2.328 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1CCc2sc(B3OC(C)(C)C(C)(C)O3)cc2C1 2283957048 NVRMSFQFAYPNFR-JKSUJKDBSA-N 478.420 2.302 30 10 JEEE CC(C)(C)OC(=O)N1CC(O)([C@@H](F)C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)c(F)c2)C1 2284054578 FSPQBFOJNLZSIG-INIZCTEOSA-N 468.306 2.383 30 10 JEEE COc1ccc(C(O)=C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccccc2[N+](=O)[O-])cc1 2296125379 CRWLCJPKWAAHHN-NRFANRHFSA-N 467.478 2.357 30 10 JEEE COC(=O)c1[nH]c(C)c(C(O)=C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccccc2OC)c1C 2296933296 CRAYPVCUEHYCRV-QFIPXVFZSA-N 497.548 2.181 30 10 JEEE COc1cc(C=Nn2c(SCCCO)nnc2[C@@H]2CC(=O)N(C(C)C)C2)cc(OC)c1OC 2329045231 IKDSZHZNOOYVGA-MRXNPFEDSA-N 477.587 2.385 30 10 JEEE CCCN(CCC)C(=O)CSc1nnc(CNC(C)=O)n1N=Cc1cccc(OC)c1O 2330778319 YCPDURLANOSPOL-UHFFFAOYSA-N 462.576 2.251 30 10 JEEE COCCc1nnc(SCC(=O)NCc2ccco2)n1N=Cc1cc(OC)c(O)c(OC)c1 2331273635 VXFRSMGJXWVFRU-UHFFFAOYSA-N 475.527 2.074 30 10 JEEE CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CCc2scc(B3OC(C)(C)C(C)(C)O3)c2C1 2336496413 GLXXVEYIVJTKRJ-CQSZACIVSA-N 466.409 2.208 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2[C@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)n1C 2362330730 CLFKMDYQXRAXRC-HRCADAONSA-N 460.384 2.013 30 10 JEEE COc1[nH]c(=NC[C@H]2CO[C@H](CNC(=O)OC(C)(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2365346586 WDKHPFWXDNKBOH-HOTGVXAUSA-N 463.384 2.153 30 10 JEEE C[C@H](OC(=O)CN1C(=O)N[C@@]2(CCCC[C@@H]2C)C1=O)C(=O)Nc1sc2c(c1C#N)CCC2 21947447 DZYMYCHHMAUUIW-UTWWPYJBSA-N 458.540 2.479 30 10 JEEE C=CCN1C(=O)N[C@H](c2ccsc2)C(C(=O)OCC)=C1CN1CCN(C(=O)C2CC2)CC1 36016804 YANBNZWFKZNCFH-HXUWFJFHSA-N 458.584 2.372 30 10 JEEE Cn1c(=O)[nH]c(=O)c2c1nc(N/N=C/c1cc(Br)ccc1O)n2C[C@H](O)c1ccccc1 38161205 NUTPIUCUABNLSB-VYPBGABDSA-N 499.325 2.071 30 10 JEEE N#C[C@@H]1C(=O)Nc2nc(NCc3ccc4c(c3)OCCO4)[nH]c(=O)c2[C@@H]1c1ccccc1[N+](=O)[O-] 72472421 UMQIMJJMRKKEHK-KBXCAEBGSA-N 474.433 2.285 30 10 JEEE CC(C)(C)OC(=O)N1CCCC[C@@H]1CS(=O)(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 208066463 PEROGJPZAFKMDZ-MRXNPFEDSA-N 467.397 2.339 30 10 JEEE N#Cc1ccc(O[C@H]2CC[C@H](NS(=O)(=O)c3cc4c5c(c3)CCN5C(=O)CC4)CC2)nc1 238832461 GFXMJVDLWFITBL-WGSAOQKQSA-N 452.536 2.457 30 10 JEEE NC(=NO)c1cc2c(nc1-n1cnc(I)c1I)CCC2 383307844 FMVNXDICNCNASB-UHFFFAOYSA-N 495.062 2.060 30 10 JEEE C=CCS[C@]1(C=O)N=N[C@@](S)(C=O)c2[nH]c(-c3nc4c(S)nnc(S)c4[nH]3)nc21 575629979 HUDDTMARIUEEMU-CABCVRRESA-N 464.583 2.339 30 10 JEEE O=C(CN1C(=O)c2ccccc2C1=O)N[C@@H]1CCN[C@H](C(=O)/C=C/c2ccc(Cl)cc2)C1 585824401 QMWOOSYOMJKBDR-FIOCOWKDSA-N 451.910 2.455 30 10 JEEE COc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(C#N)cc3F)CC2)cc1OC 609229007 QRIRPUVEDAIQIB-UHFFFAOYSA-N 461.515 2.432 30 10 JEEE CCCn1c(=C(C#N)C(=O)c2ccc3c(c2)OCO3)sc(=Cc2cnn3ccccc23)c1=O 729670435 GADAIILJHWUTTQ-UHFFFAOYSA-N 458.499 2.082 30 10 JEEE COc1ccc(CCNC(=O)CSc2nnc(NN=Cc3ccc(C)cc3)n2N)cc1OC 1084162819 VWAIYBJLSAFNBA-UHFFFAOYSA-N 469.571 2.215 30 10 JEEE C=CCN(C(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1O)[C@@H]1CCS(=O)(=O)C1 1136358334 NBRKFOLAGDQXOL-CQSZACIVSA-N 456.567 2.070 30 10 JEEE C=CCc1cc(C(=O)N(C)CCOc2ccc(S(N)(=O)=O)cc2F)cc(OC)c1OC 1161568630 QZRAHMKPXRMCRO-UHFFFAOYSA-N 452.504 2.370 30 10 JEEE C#CCN(c1nnc(Cc2c[nH]c3ccccc23)n1C[C@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1286394179 VBZSSEHBDJWJQB-WZONZLPQSA-N 455.584 2.138 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccnc(C(F)(F)F)c1 1286431812 SBMXTSXCEJBGKP-INIZCTEOSA-N 451.474 2.105 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2cccc(C(F)(F)F)n2)CC1 1286470794 CGTGRYSIBCBIPH-MRXNPFEDSA-N 452.481 2.219 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N(C)CC(=O)Nc1cccc(C#C)c1 1286496275 PERLICLDHFNABY-UHFFFAOYSA-N 473.562 2.348 30 10 JEEE C=C1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2ccc(C(N)=O)nc2)CC1 1286646259 OCQICBDYHFHFJJ-LJQANCHMSA-N 483.573 2.285 30 10 JEEE C=CCCOCCn1c(COc2ccc(Br)cc2)nnc1N1CCS(=O)(=O)CC1 1286714196 NJPKXYWMYQPSNS-UHFFFAOYSA-N 485.404 2.447 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1cnccn1 1286793826 MVMSJELELIPMSF-KRWDZBQOSA-N 456.551 2.079 30 10 JEEE C#CCN(C(=O)C1CC2(C1)C[C@@H](NC(=O)OC(C)(C)C)CCS2)[C@H]1CCS(=O)(=O)C1 1291928954 ONDFBHYOORDWEV-GWWPLSDWSA-N 456.630 2.204 30 10 JEEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(C(=O)NCC)CC1 1300382000 YKEPIJRXTVUDQW-UHFFFAOYSA-N 457.966 2.126 30 10 JEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCCCC(F)(F)C1)[C@@H]1CCS(=O)(=O)C1 1300479391 NJYHAXSZPIIZML-QZTJIDSGSA-N 483.585 2.356 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H](C)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1300483254 JVBCGFNYZBFWMV-YLJYHZDGSA-N 474.587 2.210 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(Br)c[nH]2)n1CCCN(CC)S(C)(=O)=O 1300560603 GHBOHOMFVLOALU-UHFFFAOYSA-N 481.420 2.170 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@]2(O)CCSC2)CC1 1300726729 OMCSGLBZVCEKBL-QHCPKHFHSA-N 474.030 2.356 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OC)n2CCC2(O)CCC2)CC1 1300731022 KSZPCBRTEVLAQB-UHFFFAOYSA-N 467.570 2.137 30 10 JEEE C#CCSCCn1c(-c2ccccc2OC)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1300754879 XKAWHGYXYYNOCS-UHFFFAOYSA-N 482.654 2.455 30 10 JEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 1300756809 UFOPCWFETKHSDC-MJGOQNOKSA-N 458.632 2.071 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)CC2CCCCC2)CC1 1300991065 OWVGYLOXTGRRSW-OAQYLSRUSA-N 493.674 2.392 30 10 JEEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N1CCCN(C(=O)C(C)C)CC1 1300991682 PNYLDKLDZJPLOA-UHFFFAOYSA-N 458.563 2.293 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCC(CC(=O)NC)CC1 1301514499 JWTAGBAFXYSPBY-UHFFFAOYSA-N 454.575 2.129 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2Cc2ccc(OC)nc2)C1 1301543195 IWPRGLHGXPWTPD-FQEVSTJZSA-N 498.609 2.429 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2CCN(C(C)=O)CC2)C1 1301544033 SXENJWLDJNZINN-NRFANRHFSA-N 487.626 2.388 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC2(C(=O)N(C)C)CCCC2)C1 1301568269 QIZPXCLWRXCDPY-UFYCRDLUSA-N 461.607 2.432 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@H](C)CC[C@@H]1C 1301586373 RUAWPZFKKOVLIF-SJORKVTESA-N 470.599 2.418 30 10 JEEE C=CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1301596910 CWNMDAPRCXMERA-GOSISDBHSA-N 456.572 2.346 30 10 JEEE C=CCSCCn1c(Cc2ccccn2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1301615082 FAVAHEKDDVWPHD-UHFFFAOYSA-N 469.659 2.318 30 10 JEEE C#Cc1cccc(NC(=O)NC(=O)CN2CCN(C(=O)COc3ccc(Cl)cc3)CC2)c1 1307422683 WZGNQTIVYGVWSC-UHFFFAOYSA-N 454.914 2.193 30 10 JEEE CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@](C)(O)c2cccs2)CC1 1313987943 CRPTUDSQBNCCHU-DEOSSOPVSA-N 479.610 2.044 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCOc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1358966344 NALJWPFQSFKQTA-NRFANRHFSA-N 482.610 2.154 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCNC(=O)C2CC2)CC1 1359030509 XPOKHEHMBTZXMI-KRWDZBQOSA-N 456.978 2.353 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC2(O)CCCCCC2)CC1 1359042108 RSAQYMOXPMILKG-AREMUKBSSA-N 487.645 2.370 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC(=O)NCC2CC2)CC1 1359042595 MNDOELBKSXIVLU-UHFFFAOYSA-N 484.988 2.099 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCSCC1 1359277190 FCJUSOUKWLTJLF-GOSISDBHSA-N 465.645 2.057 30 10 JEEE C=CCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCC(CNS(C)(=O)=O)CC1 1359286317 IQKBRDVGQAQQNX-UHFFFAOYSA-N 485.614 2.188 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@H](O)CC2(CCCC2)C1 1359292912 AWAJMGYFIMJNSN-MRXNPFEDSA-N 477.407 2.480 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@](F)(C#N)C1 1359299255 ACZVXPYYWWUBDP-ZHRRBRCNSA-N 461.542 2.137 30 10 JEEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@]2(CCSC2)C1 1359334780 QSXGCKVBPWKTIR-HXUWFJFHSA-N 481.669 2.204 30 10 JEEE C=CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1359346035 YRENKYHJJZZMSK-UHFFFAOYSA-N 476.628 2.120 30 10 JEEE CC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCCO[C@H](C)C2)C1 1359417879 HCPPNDHQWRLYKA-AUSIDOKSSA-N 465.602 2.423 30 10 JEEE CC(C)NC(=O)CCn1c(COc2ccc(Br)cc2)nnc1N1CCO[C@@H](C#N)C1 1360269292 DXYDWWLLDIYCFO-KRWDZBQOSA-N 477.363 2.263 30 10 JEEE COCC1(CCn2c(-c3cccc(C#N)c3)nnc2N2CCN(S(C)(=O)=O)CC2)CCC1 1504621136 DTOPIXVIDLNTGB-UHFFFAOYSA-N 458.588 2.105 30 10 JEEE COCCn1cc(Cn2c(COc3ccc(C)c(C)c3)nnc2N2CCO[C@H](C#N)C2)cn1 1504897604 COFIXSNDZRZNOD-OAQYLSRUSA-N 451.531 2.094 30 10 JEEE C#CCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1507587872 BFUQHLAYSCROIT-RXVVDRJESA-N 473.599 2.312 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@H]1CCCOC1)[C@H]1CCS(=O)(=O)C1 1507639961 NQGFCRDPKYXPKI-UXHICEINSA-N 458.584 2.219 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1nc(C)cs1 1507662004 COPKDSVUXIAPTP-UHFFFAOYSA-N 468.608 2.472 30 10 JEEE C#CCN(CC)c1nnc(-c2cc(F)ccc2Br)n1CCCNS(C)(=O)=O 1507681587 ZXXKXAHCKIYQJA-UHFFFAOYSA-N 458.357 2.246 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc2c(c1)OCO2 1507804471 KBAFZHXCKCCIJC-KNBMTAEXSA-N 477.587 2.235 30 10 JEEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 1507868676 NGIXKZGQTCXHTO-WBVHZDCISA-N 458.028 2.310 30 10 JEEE C=CCN(C)c1nnc(C(=O)NC(CC)CC)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1507971016 HSBJRVUGGFWPBC-SJLPKXTDSA-N 452.625 2.023 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCCO1 1508003313 XVMWLNXIVZNSEH-SFTDATJTSA-N 475.615 2.373 30 10 JEEE C=CCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCCN(CCC)C(=O)C1 1508062454 CSZSXWRQRDIZEB-UHFFFAOYSA-N 451.619 2.278 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC2([S@@](C)=O)CCC2)C1 1508112591 BFMMEJNKHHYYAJ-MFYCCVFRSA-N 452.621 2.401 30 10 JEEE COCCN(CCC#N)c1nnc(-c2cnn(C)c2)n1CC1(N2CCOCC2)CCCCC1 1519162863 HSTBJJLYUUEWCM-UHFFFAOYSA-N 456.595 2.080 30 10 JEEE C#CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCCS(C)(=O)=O 1539071521 VQOKIRLJRZFNMP-GOSISDBHSA-N 483.635 2.261 30 10 JEEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)COc2ccc(F)cc2)CC1 1539119211 INRWAEZUKPVSSL-LJQANCHMSA-N 455.534 2.452 30 10 JEEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1ccc(CS(C)(=O)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1539203317 PKQGOTPSJRZZJG-FXAWDEMLSA-N 478.640 2.011 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CCc1ccccc1C)[C@H]1CCS(=O)(=O)C1 1539205689 JHBJKNBFYYUNJW-DHLKQENFSA-N 486.638 2.497 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1CCN1CCCC(C)(C)C1)[C@@H]1CCS(=O)(=O)C1 1539211505 MSUPNAAYDKHRBO-LJQANCHMSA-N 458.632 2.032 30 10 JEEE C#CCN(c1nnc(-c2cc3c(s2)CCCCC3)n1CCCNC(C)=O)[C@H]1CCS(=O)(=O)C1 1539211898 LSISLZOXRDDWIE-IBGZPJMESA-N 489.667 2.428 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1Cc1ccc(NC(=O)NC(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 1539224276 DUZWPIAWHBHVAF-OAQYLSRUSA-N 484.626 2.436 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cc(Br)c[nH]2)n1CCS(=O)(=O)NC 1539384753 NVWSXPKPQJOTKE-UHFFFAOYSA-N 495.378 2.364 30 10 JEEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 1539421761 XSHFAMWXVUAGHG-LJQANCHMSA-N 486.617 2.276 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H](CC)NC(=O)OC(C)(C)C)CC1 1539431530 UYVVWFWJSMCRTQ-CPJSRVTESA-N 490.649 2.377 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(OC)cc3)n2Cc2c(C)nn(C)c2C)CC1 1539488491 KMPKGGHSJZDNSC-UHFFFAOYSA-N 491.596 2.230 30 10 JEEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cc(C)nc(C(C)C)n2)CC1 1539683206 DWPHYRIGIDQJEA-QGZVFWFLSA-N 462.624 2.013 30 10 JEEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCNC(=O)C1CCC1 1540052073 WAQJPNRTPXFUFW-UHFFFAOYSA-N 459.620 2.475 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1540867024 IDCHYQVVDVZWJX-UHFFFAOYSA-N 497.625 2.046 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC(CC(=O)NC)CC1 1540898776 ULRNXFGDYDBMQC-UHFFFAOYSA-N 497.625 2.289 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1540900078 KKXFXYRBQGGBEZ-UHFFFAOYSA-N 483.642 2.218 30 10 JEEE CC(C)C[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1)N(C)C 1541413281 FXGJDGDULHRFOM-NRFANRHFSA-N 453.591 2.088 30 10 JEEE Cn1nccc1C(=O)N1C[C@@H](C(N)=O)[C@H](C2CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)C1 1548393468 JPMWAGLGFWBLKS-ZWKOTPCHSA-N 474.487 2.401 30 10 JEEE C=CCC[C@H](CO)NC(=O)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 1568993075 SNKKGBHTIFDWJE-CYBMUJFWSA-N 451.408 2.355 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H](N1CCOCC1)C(F)(F)F 1587602978 FJLQXBPBMKYRDM-DNVCBOLYSA-N 465.476 2.437 30 10 JEEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1588068913 CABUDYNVJDVNFW-IBGZPJMESA-N 483.619 2.253 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@](O)(c1ccccc1)C(F)(F)F 1588385556 IJYIPSXMUJJZJM-HNAYVOBHSA-N 456.490 2.090 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H]1CCCN1S(C)(=O)=O 1588604921 SFIQSWCVEYVOJM-QGZVFWFLSA-N 482.006 2.117 30 10 JEEE C#CCN(CCOC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H]1CC[C@H](CO)O1 1588647959 ZTPTUCANJVLVBS-VQTJNVASSA-N 477.606 2.019 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CC(C)(C)N2CCC[C@H](C)C2)CC1 1588923802 MLAWUUIOLXZEEI-IBGZPJMESA-N 464.618 2.211 30 10 JEEE C=C(C)Cn1c(COc2ccccc2OC)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1593677641 GUSHWMPVTHVCSV-HSZRJFAPSA-N 454.531 2.256 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCSC2(C)C)CC1 1594097297 QCGXFXAGMFSCGR-IRXDYDNUSA-N 455.650 2.299 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(C)(C)N2C[C@@H](C)O[C@H](C)C2)CC1 1594097344 RFFIELJEDBHGKP-GUDVDZBRSA-N 451.637 2.224 30 10 JEEE C=CCN(C)c1nnc(-c2ccc3ccccc3n2)n1CCS(=O)(=O)N1CCSCC1 1594923823 VVYSRVAPXYRKOY-UHFFFAOYSA-N 458.613 2.494 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 1595544944 OGHBWOZWOGBOLW-ROUUACIJSA-N 462.595 2.310 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CCN(CC(C)C)C(=O)C1 1595595047 QVDRHGKLOINPCM-UHFFFAOYSA-N 456.616 2.486 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 1595608762 XKTWHPIKGHBTGI-BJLQDIEVSA-N 492.621 2.045 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCN(c2cccc(O)c2)CC1 1595812248 PZRFBEYGTCZOCN-UHFFFAOYSA-N 488.639 2.267 30 10 JEEE C=CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CC(=O)NC(C)C 1595871804 ZOCZIZSMHSDGOP-UHFFFAOYSA-N 455.588 2.072 30 10 JEEE Cc1csc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)n1 1612371315 FJFARCYFTJLONS-HNNXBMFYSA-N 457.585 2.100 30 10 JEEE CN(Cc1nccs1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCS(=O)(=O)C1 1618024539 HGSPYUTYJLGWOA-INIZCTEOSA-N 458.569 2.256 30 10 JEEE CC(=O)c1ccc(S(=O)(=O)NCCC(=O)NC2CCN(c3ccccc3C#N)CC2)cc1 1642168565 AHYYFCYYBROASW-UHFFFAOYSA-N 454.552 2.214 30 10 JEEE C#Cc1cccc(NC(=O)NC(=O)CN2CCN(CC(=O)Nc3ccccc3Cl)CC2)c1 1644991161 CKZUQDAXVCTHJX-UHFFFAOYSA-N 453.930 2.226 30 10 JEEE COc1cc(NC(=O)CNS(=O)(=O)c2cccc(Br)c2C#N)cc(OC)c1 1662574427 AMUAMFFMROPOLT-UHFFFAOYSA-N 454.302 2.255 30 10 JEEE C=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 1681943781 SVCWCUXWRSOCNH-OYSTVDSJSA-N 464.563 2.192 30 10 JEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1689893003 RRGPITIUZYATDP-GBESFXJTSA-N 477.631 2.287 30 10 JEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H]1CCCN(Cc2ccccc2)C1 1689910854 SCAURNKXPKXRQX-PZJWPPBQSA-N 458.632 2.403 30 10 JEEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](COC)O[C@H](C)C1 1689932291 WWWAVIPKPFVDBR-QYZOEREBSA-N 463.579 2.240 30 10 JEEE C#CCCCn1c(COc2ccccc2OCC)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1689939933 HJYSUQCEXQUWHN-SFHVURJKSA-N 461.588 2.139 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H]1CCOC[C@@H]1C 1690101262 UVTKDCJIHUDSDJ-RBUKOAKNSA-N 464.570 2.434 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(OCC)cc3)n2CCC(=O)N(C)C)CC1 1690111708 IFRWCLSRZLSAMS-LJQANCHMSA-N 454.575 2.050 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1690236334 LJYRJDXZKCEWIQ-WIYYLYMNSA-N 457.579 2.440 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 1690313299 PRNNZJPEQUMQLG-ZWKOTPCHSA-N 483.635 2.124 30 10 JEEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1690497795 WSJRMHNPLRAENP-QHCPKHFHSA-N 466.546 2.004 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1690665646 KVARHCMRHJSNQF-SFHVURJKSA-N 482.585 2.150 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCCO[C@@H](C)C1 1690719297 KFGRVOBOIRTBOP-INIZCTEOSA-N 450.561 2.178 30 10 JEEE C=CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(NS(C)(=O)=O)CC1 1690741930 BFAVKCPKMUYGKG-UHFFFAOYSA-N 489.627 2.031 30 10 JEEE C[C@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1CCn1cc(Br)cn1 1693549295 CHXKYUNURKKAAU-HNNXBMFYSA-N 499.373 2.055 30 10 JEEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(C(=O)OC)CC1 1705509738 NELKVPWTGFBKNO-UHFFFAOYSA-N 473.599 2.388 30 10 JEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(NC(=O)C2CC2)CC1 1705526422 FYDRZXNJXQDHFM-UHFFFAOYSA-N 455.584 2.257 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCO[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1705569156 CUDKFRLXSLJNCV-WDYCEAGBSA-N 463.629 2.076 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@]1(C)CN(C2CC2)C1=O 1705582126 ULCWWGXSSWILQK-SIBVEZHUSA-N 480.613 2.476 30 10 JEEE C#CCN(CC#C)c1nnc(CCc2ccc(OC)cc2)n1C[C@H](N1CCOCC1)C(F)(F)F 1705586243 ATMMCGKZSARDNX-NRFANRHFSA-N 475.515 2.408 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1Cc1ccc(CS(C)(=O)=O)cc1 1705667020 HXXKEURKPMLGKU-HSZRJFAPSA-N 455.584 2.099 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(F)ccc1N1CCOCC1 1705710509 NDSRXOAWBQJIIA-KRWDZBQOSA-N 480.610 2.315 30 10 JEEE C=C(C)COCCn1c(Cn2ccc3ccccc32)nnc1N1CCCN(S(C)(=O)=O)CC1 1705737966 GRIYTJMDMJRHGT-UHFFFAOYSA-N 472.615 2.346 30 10 JEEE C=CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1)c1ccccc1 1705795349 ICWIDHDKXRWHAI-WOJBJXKFSA-N 491.600 2.308 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCO[C@@H](COC(C)C)C1 1705894884 NMBAKUPIVRGBMG-HXUWFJFHSA-N 470.574 2.080 30 10 JEEE C=CCOc1ccccc1Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H](C(N)=O)C1 1705916153 ZPVWKUGEGHUMMJ-QGZVFWFLSA-N 466.567 2.194 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC(=O)NCCC)C1 1705927936 JBEJDZFLYXBATI-KSZLIROESA-N 462.595 2.356 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2C[C@H](C)S[C@H](C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1705939562 ZSOLMOZAZGXWON-FUHIMQAGSA-N 458.650 2.250 30 10 JEEE Cc1cc(C)n(CCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)Cc2ccc(C#N)cc2)n1 1707838992 FKRMYXLGVGWKGP-GOSISDBHSA-N 470.603 2.300 30 10 JEEE CS(=O)(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCSC2)C1 1712694843 AVCDMOZTINXQQW-IEBWSBKVSA-N 461.613 2.495 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1CCCc1cc(OC)ccc1OC)[C@@H]1CCS(=O)(=O)C1 1722362961 XOGSXUGQGWRVIA-LJQANCHMSA-N 496.593 2.012 30 10 JEEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@](C)(O)c1ccccc1 1722425314 VAIMJIICMKHLOD-DEOSSOPVSA-N 482.610 2.232 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CCc2cnc3c(Cl)cnn3c2)CC1 1722445128 SEHXFKPMEINIHX-UHFFFAOYSA-N 468.993 2.480 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)CC1 1722449799 ZPBRUFRBEJYZHX-SFTDATJTSA-N 493.656 2.118 30 10 JEEE C=CCCOCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCCN(C(C)=O)CC1 1722625515 VJEIKNXHELAKBO-UHFFFAOYSA-N 479.585 2.326 30 10 JEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C)cc2)CC1 1722630102 VOISRPZBPKMION-HXUWFJFHSA-N 459.616 2.408 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC)c(Cl)c1 1722672429 QENBDOCSFIBSQT-IBGZPJMESA-N 482.006 2.500 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CCOC 1722736573 BBZIZRVOOAPDQJ-INIZCTEOSA-N 457.597 2.034 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1722751762 UEZFGSSYHBDTAG-SFHVURJKSA-N 471.583 2.192 30 10 JEEE CC[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N)c1ccccc1 1727266613 HOFBHWXHEJSRDN-QWFCFKBJSA-N 460.604 2.401 30 10 JEEE CCOCc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CCN1CCN(C)C(C)(C)C1 1729057762 AJIWHHBMVHBFRH-UHFFFAOYSA-N 494.688 2.425 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2C[C@@H]2CC[C@]3(CCOC3)O2)c1 1740565130 KECHGZXCLMFVTH-GBXCKJPGSA-N 453.543 2.209 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CC1(COC)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1740618271 FZZAAVKYCCLAFP-HXUWFJFHSA-N 488.610 2.024 30 10 JEEE C#CCN(c1nnc(-c2ccccc2F)n1CCN(C)CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1740621999 RSUHBDADQUHMSW-HNNXBMFYSA-N 473.496 2.205 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCCc2ccc(OC)c(OC)c2)CC1 1740705573 JHPZQUIOVDNWDZ-NRFANRHFSA-N 481.597 2.398 30 10 JEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 1740716674 WQENVSDQQNTALU-ZWKOTPCHSA-N 467.599 2.154 30 10 JEEE C=C(Br)Cn1c(Cc2ccccn2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1740745770 FBTFBSVLIZYEGL-IBGZPJMESA-N 460.424 2.389 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N(C)CCS(C)(=O)=O 1740753887 OYBLTNGOLCSKAP-OXJNMPFZSA-N 464.588 2.424 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(OCCCOC)CC1 1740762912 XBGREWDMMUUHOJ-ZVDOUQERSA-N 482.647 2.183 30 10 JEEE C=C(C)Cn1c(N2CCN(c3nccnc3C#N)C[C@@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 1740785890 IAIPONBGTJAOPU-FDDCHVKYSA-N 452.563 2.272 30 10 JEEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C)C1CC1 1740905640 DESMWXNFHMIIGT-HUUCEWRRSA-N 456.613 2.299 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@H]2CCS(=O)(=O)C2)C1 1740973646 BBYGTHGHYMQMPY-SJLPKXTDSA-N 492.598 2.187 30 10 JEEE Cc1noc(CCCn2c(-c3cccc(C#N)c3)nnc2N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)n1 1742893804 COXDGSBYUBAEQE-HUUCEWRRSA-N 457.560 2.399 30 10 JEEE CCNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1746479487 AGNABPPIBJLUMB-XDHUDOTRSA-N 452.559 2.363 30 10 JEEE CCO[C@@]1(c2nnc(N(C)Cc3ccc(C#N)cc3)n2CCN2CCSCC2)CCOC1 1746654212 FRFUHCZGOMOUJP-QHCPKHFHSA-N 456.616 2.487 30 10 JEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(=O)c2ccc(C)s2)CC1 1748732339 YNOKFGPWCCDJDV-INIZCTEOSA-N 478.644 2.070 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1cccc(C(OC)OC)c1)[C@@H]1CCS(=O)(=O)C1 1748815644 SMGVFSZEADEOLH-NHCUHLMSSA-N 488.610 2.486 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc3ccccc3n2)n1CC1CCS(=O)(=O)CC1 1748956809 JPMKBMMBYTXSGM-UHFFFAOYSA-N 453.568 2.404 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCc2nccc(C(F)(F)F)n2)CC1 1748977971 GRDNABCTYPMESA-JOCHJYFZSA-N 493.534 2.125 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)ccc3Br)n2C[C@@](C)(O)CCOC)CC1 1748979914 SGGMYDMBGXJBFF-QFIPXVFZSA-N 492.418 2.259 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2coc(-c3ccc(C)cc3)n2)CC1 1749001612 XTWQQVXXTNTOOZ-UHFFFAOYSA-N 489.580 2.394 30 10 JEEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1749115238 ODFIOMQQWBGULR-HCXYKTFWSA-N 484.439 2.458 30 10 JEEE C=CCCCCn1c(-c2cccc(Cl)c2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1749390854 LUAYGIUKMVMMGF-UHFFFAOYSA-N 484.992 2.421 30 10 JEEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)COc2ccc(F)cc2)CC1 1749428078 YLBLTRPYGJULPM-SFHVURJKSA-N 491.589 2.013 30 10 JEEE C=CCN(CCOC)c1nnc(-c2cnccn2)n1C[C@@H]1C[C@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1749597885 PFENYKVFBQBZHJ-BJLQDIEVSA-N 485.589 2.398 30 10 JEEE C=CCSCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCN(C(=O)COC)CC1 1749752287 OPBIMEFHLWVGMO-UHFFFAOYSA-N 467.599 2.345 30 10 JEEE CS(=O)(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@@H]2CCCCO2)CC1 1750211146 DYBCMTGHNOZXRM-FQEVSTJZSA-N 458.588 2.294 30 10 JEEE N#Cc1ccc(OCc2nnc(N3CCS(=O)CC3)n2C[C@H]2CCN(CC(F)(F)F)C2)cc1 1750384440 ACVNIYDGHGOWRE-KRWDZBQOSA-N 482.532 2.182 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1C[C@H](C)N(C)C 1750965001 AOKLMUMVKIAWGH-INIZCTEOSA-N 458.998 2.218 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3noc4c3COCC4)n2C[C@H](C)N(C)C)c1 1760128315 FIVUHEGEDSYRQZ-INIZCTEOSA-N 463.542 2.012 30 10 JEEE C#CCCCCn1c([C@H]2CCOC2)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1760138355 WWIIXDWOLUDOQS-NRFANRHFSA-N 457.600 2.238 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1c(F)cccc1F)C1CC1 1760154208 BRJFAOWMADBJAX-FQEVSTJZSA-N 479.553 2.472 30 10 JEEE C#CCN(c1nnc(C(C)C)n1Cc1ccccc1OCCN(C)C)[C@H]1CCS(=O)(=O)C1 1760183504 QKUBBEADBXYYKH-FQEVSTJZSA-N 459.616 2.017 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1CCCSCC)[C@H]1CCS(=O)(=O)C1 1760183589 BWNKDWUEMKTUMF-SFHVURJKSA-N 476.624 2.486 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1760198264 CBAMUDUWBXZJQF-RBUKOAKNSA-N 473.002 2.271 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2ccccc2F)n1CCCN1C(=O)NC2(CCCC2)C1=O 1760204216 HXXUQYAIBIJHKX-UHFFFAOYSA-N 462.529 2.336 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OC)nc1 1760240208 KGCPBZYXIMRDEJ-INIZCTEOSA-N 472.546 2.119 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CSc3ccccc3OC)n2CC[C@H]2COCCO2)CC1 1760273215 LNDKYGPNDNIQFL-FQEVSTJZSA-N 499.637 2.350 30 10 JEEE C=C(C)COCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](COC)C1 1760358163 RTHUGBWDCVQCST-RTBURBONSA-N 481.594 2.031 30 10 JEEE C=CCCCn1c(COc2cccc(C)c2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1760442695 UNHBFEBBNWOWEU-UHFFFAOYSA-N 452.559 2.059 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCO[C@@H](COC)C1 1760517288 INBCPUJSDQWQQB-CQSZACIVSA-N 468.327 2.001 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@@H]1CCCS1 1764173364 FFAFBXQKNLKKEL-SFHVURJKSA-N 485.662 2.332 30 10 JEEE CCc1nnc(Cn2c(C(=O)NC(C)C)nnc2N2CCCN(Cc3ccc(C#N)cc3)CC2)s1 1764682655 FWYRAEQAVWOFDP-UHFFFAOYSA-N 493.641 2.462 30 10 JEEE CCNC(=O)C1(Cn2c(CC(C)C)nnc2N2CCN(c3cc(C#N)ccn3)CC2)CCC1 1765615157 AIQXLYXHKWIDRV-UHFFFAOYSA-N 450.591 2.376 30 10 JEEE COC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCCS2(=O)=O)C1 1769397301 BGTWIBVLXIMQJX-UYAOXDASSA-N 487.582 2.085 30 10 JEEE Cc1ccc([C@@H](C#N)NC(=O)[C@@H](CO)NC(=O)c2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)cc1 1867528534 ZYNFLGRSEMVHEO-DHIUTWEWSA-N 488.544 2.396 30 10 JEEE Cc1ccccc1Cn1nnc(C#N)c1NC(=O)CCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1870110779 IFEVMTJFDPNUQM-UHFFFAOYSA-N 473.449 2.430 30 10 JEEE CCCCCCCCN=c1nc(N2CCN(CCO)CC2)[nH]c(=Nc2ccc3nc[nH]c3c2)[nH]1 1871625814 YYGBZCDRKPAHPW-UHFFFAOYSA-N 467.622 2.222 30 10 JEEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)c3ccc(N4CCCCC4)nn3)CC2)CC1 1889406335 QITADGIAQJIWQA-UHFFFAOYSA-N 468.646 2.118 30 10 JEEE C=CCNC(=O)c1nc(C(=O)N2CC[C@H](COc3ccc4nnc(C(F)(F)F)n4n3)C2)cs1 1890896019 ZCGPIBQYCMGWBD-NSHDSACASA-N 481.460 2.057 30 10 JEEE CS(=O)(=O)c1ccc2nc(N3CC(C(=O)N4CCN(c5ccc(C#N)cc5)CC4)C3)sc2c1 1892329197 JBZYEIHAIXIEMX-UHFFFAOYSA-N 481.603 2.356 30 10 JEEE CCOc1cccc(-c2cn([C@H]3CCCN(C(=O)C[C@H]4S/C(=N\C)N(C)C4=O)C3)nn2)c1 2087926115 DZWLFILRQUVJHC-YLMVEUOMSA-N 456.572 2.457 30 10 JEEE COC[C@]1(C(=O)N2CC=C(B3OC(C)(C)C(C)(C)O3)CC2)CN(C(=O)OC(C)(C)C)CCO1 2180984746 LAGZIUFPQJOIBB-QHCPKHFHSA-N 466.384 2.429 30 10 JEEE CN(C(=O)OC(C)(C)C)[C@@H]1COC[C@@H]1C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2185161224 UOTHILBDSCOJMM-RBUKOAKNSA-N 460.380 2.484 30 10 JEEE CC1(C)OB(c2cscc2S(=O)(=O)N(OCc2ccccc2)C2CNC2)OC1(C)C 2247985366 GRIIBQPLJMTIHW-UHFFFAOYSA-N 450.391 2.142 30 10 JEEE C[C@@H](CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1)NC(=O)OC(C)(C)C 2255746856 ACJCUYOESFKLSQ-ZDUSSCGKSA-N 458.361 2.316 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]1NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2255933876 VAAUEZSXIZYGKV-HZPDHXFCSA-N 456.345 2.069 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(CNC(=O)[C@H](CCO)NC(=O)OC(C)(C)C)s1 2256673682 FNXOYDRQPCCAFT-HNNXBMFYSA-N 454.398 2.248 30 10 JEEE COC[C@@]1(NC(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)CCN(C(=O)OC(C)(C)C)C1 2267011379 DTJXZXHLOCIWMT-JOCHJYFZSA-N 450.341 2.335 30 10 JEEE Cc1c(B2OC(C)(C)C(C)(C)O2)csc1C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H](O)C1 2267111819 XVCWYZUYYXEDGR-OAHLLOKOSA-N 466.409 2.410 30 10 JEEE COCC1(CNC(=O)c2occc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2267183582 OQRAVAAEYUAINK-UHFFFAOYSA-N 450.341 2.192 30 10 JEEE CO[C@H]1C[C@H](CNC(=O)OC(C)(C)C)N(C(=O)c2occc2B2OC(C)(C)C(C)(C)O2)C1 2267183609 HACXTCCLCSAZPN-CABCVRRESA-N 450.341 2.333 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H]1C[C@](F)(CNC(=O)OC(C)(C)C)C1 2267577057 PUBCZMCJOWOFKD-FVUUGDKNSA-N 451.348 2.450 30 10 JEEE C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CN1S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2267704959 CNKUURUXGXDADY-UONOGXRCSA-N 487.453 2.260 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1CC(F)(F)CN1C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2278900405 BEIUMOMZGLTUND-GFCCVEGCSA-N 456.299 2.083 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2CCO[C@]2(CNC(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)C1 2281804714 OSNOYBZEVPTPLO-WAIKUNEKSA-N 462.352 2.335 30 10 JEEE CC1(C)OB(c2cccc(C(=O)NC[C@]3(O)CCN(Cc4ccccc4)C3)c2F)OC1(C)C 2282147627 QLXHERSRPPQEGC-RUZDIDTESA-N 454.351 2.492 30 10 JEEE CC[C@H]1[C@H](NS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CCN1C(=O)OC(C)(C)C 2282347944 FMCVPPHEJXWMAS-MSOLQXFVSA-N 481.424 2.447 30 10 JEEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)[C@H](C#N)C1 2282350083 IDEBKVFOOQHLSO-MRXNPFEDSA-N 477.392 2.119 30 10 JEEE CC(C)(C)OC(=O)NCCN1CCC(NC(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)CC1 2282532490 YARRVRUVVOOZIP-UHFFFAOYSA-N 463.384 2.298 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H]3CN(Cc4ccccc4)C[C@@]3(C)C2)n1 2282543802 LUHBQWUQEAYGHY-DFBJGRDBSA-N 450.392 2.313 30 10 JEEE CC(C)(C)OC(=O)N1CCC([C@H](F)CNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CC1 2282599334 RXBJAUFLYWGFMA-MRXNPFEDSA-N 466.363 2.424 30 10 JEEE CN(CC1CN(C(=O)OC(C)(C)C)C1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(O)cc1O 2282967304 OGQGFRQVYOVWFJ-UHFFFAOYSA-N 462.352 2.336 30 10 JEEE C[C@@H]1C[C@@H](NC(=O)C(F)(F)F)CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2O)C1 2282974152 FPXYFDHMDONSSV-TZMCWYRMSA-N 456.270 2.221 30 10 JEEE C[C@H](c1nscc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)[C@H]1C[C@H](O)CN1C(=O)OC(C)(C)C 2283976290 BKMCPWRDYOFEIN-IJEWVQPXSA-N 481.424 2.332 30 10 JEEE CC(C)(C)OC(=O)N1Cc2nncn2C[C@H]1C(=O)N[C@H]1CCC=C1B1OC(C)(C)C(C)(C)O1 2284057214 VUJTUOIGWCAIEV-HOTGVXAUSA-N 459.356 2.234 30 10 JEEE Cn1c(=O)nc(O)c2c1nc(NN=CC=Cc1ccccc1)n2C[C@H](O)COc1ccccc1 2293689697 ROSYVEXWZIQEIQ-SFHVURJKSA-N 460.494 2.387 30 10 JEEE CCN(CC)C(=O)CSc1nnc(CNC(C)=O)n1N=Cc1ccc(Cl)c([N+](=O)[O-])c1 2330718161 RCNIQQXJAPVIJE-UHFFFAOYSA-N 467.939 2.319 30 10 JEEE C=CCN(CC=C)c1nc(NC(=O)C=Cc2ccc([N+](=O)[O-])cc2)n([C@H]2CCS(=O)(=O)C2)n1 2331674941 RLRPXZXMPDHODT-SFHVURJKSA-N 472.527 2.376 30 10 JEEE CNC(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)C1(B2OC(C)(C)C(C)(C)O2)CC1 2343355141 GEKZEXDZECIJSG-HNNXBMFYSA-N 451.373 2.197 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CN(c2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)CC[C@@H]1CO 2345744160 YEPRXSRCOFWABK-RHSMWYFYSA-N 451.348 2.232 30 10 JEEE CC(C)(C)OC(=O)NC1CN(CC(=O)N2CCc3scc(B4OC(C)(C)C(C)(C)O4)c3C2)C1 2361639743 OSJFVQFCZJMBOD-UHFFFAOYSA-N 477.436 2.141 30 10 JEEE Cc1cc(C)nc(N/C(=N\C(=S)NC2CC2)N2CCN(Cc3ccc4c(c3)OCO4)CC2)n1 14160986 JSAWVDWJSSAWMS-UHFFFAOYSA-N 467.599 2.445 30 10 JEEE NC(=O)CSc1n[nH]c(N/N=C/c2cc(Br)cc(Br)c2O)n1 59017016 LUFRJZBCFMIFJQ-CRKCGEKBSA-N 450.116 2.059 30 10 JEEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2C[C@H]3CCCC[C@H]3N2C(=O)c2ccc(F)cc2F)CC1 522367472 FWASSPYLVIJWPE-YHYVQYDKSA-N 474.552 2.185 30 10 JEEE CC(=O)Nc1ccc(N2C(=O)C(Sc3nc(C)cc(C)c3C#N)=C(N(C)CCO)C2=O)cc1 526694083 DTPLZZPKAXVCRI-UHFFFAOYSA-N 465.535 2.330 30 10 JEEE COc1cccc(N2C(=O)C(Sc3nc(C)cc(C)c3C#N)=C(N3CCN(CCO)CC3)C2=O)c1 526694186 JQASEMBVUCLZLT-UHFFFAOYSA-N 493.589 2.066 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)COC(=O)c3ccc(-n4cnnn4)cc3Cl)cc21 586326014 WDRGVBHBYOJXHT-UHFFFAOYSA-N 453.842 2.267 30 10 JEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC1(C)CCN(C(=O)OC(C)(C)C)CC1 1138512618 AQOHGWDZVQFQED-OAHLLOKOSA-N 450.561 2.131 30 10 JEEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)NCC2(CO)COC2)c1 1151738479 JRVUIDAZVSHXIF-UHFFFAOYSA-N 450.944 2.460 30 10 JEEE C#CCC[C@H](O)CNC(=O)c1cccc(NC(=O)C[C@H]2SC(N3CCCCC3)=NC2=O)c1 1155521794 XXNLJUUHZNHXGB-RBUKOAKNSA-N 456.568 2.003 30 10 JEEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1286384394 QLSDEPRHAVNJRX-XUZZJYLKSA-N 472.611 2.302 30 10 JEEE C#CCN(c1nnc(C(C)C)n1Cc1cccc(CN2CCO[C@H](C)C2)c1)[C@@H]1CCS(=O)(=O)C1 1286385896 QUAWXBCPYUHHGX-NFBKMPQASA-N 485.654 2.297 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1CCc1ccc(Cl)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1286389303 HVKHJWHNWBYXAO-QGZVFWFLSA-N 486.985 2.267 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCCc1nccs1)[C@@H]1CCS(=O)(=O)C1 1286389381 IYFHQYRPKCDJEJ-QGZVFWFLSA-N 456.597 2.365 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](CC)N1CCc2ccccc2C1 1286430880 KFCLCRQJFZPTCD-RPWUZVMVSA-N 479.650 2.480 30 10 JEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N(C)C[C@H](c1cccs1)N1CCOCC1 1286504840 QLMNMMFFXXCKGJ-QZTJIDSGSA-N 474.656 2.167 30 10 JEEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2cc(Cl)ccc2C1 1286507659 BFENIMQFSKKTQA-IBGZPJMESA-N 496.058 2.194 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCOC2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1286554531 HRWXGQYWQRPCFQ-HBFSDRIKSA-N 467.636 2.014 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nc(C)c(C)s1 1286582549 ZBTBLAKMRFCTQN-MRXNPFEDSA-N 454.622 2.135 30 10 JEEE C=C(C)COCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCO[C@@H](C(=O)NC)C1 1286604888 QAHFDTHZPPSOGO-GOSISDBHSA-N 494.390 2.260 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCCN(C(C)(C)C)CC1 1286791563 WHMVGCKZPNZLSE-HXUWFJFHSA-N 454.575 2.403 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc3cccnc23)nnc1N1CCC[C@H](C(=O)NC)C1 1286817852 YRNLXLLTVRZRLV-SFHVURJKSA-N 468.583 2.057 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1286823755 QMXWBRYINQBQEO-SFHVURJKSA-N 475.663 2.051 30 10 JEEE C=CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1286827538 SCSZEUGWQRSXEX-OAHLLOKOSA-N 473.994 2.445 30 10 JEEE CC(C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCN1CCN(C)C(C)(C)C1 1287216711 HPIPPGKXVHZFRW-UHFFFAOYSA-N 451.623 2.021 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1CCOCC)[C@H]1CCS(=O)(=O)C1 1300485855 ZSFKBGOCDSQQAH-IRXDYDNUSA-N 450.536 2.220 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(C)(C)C)CC1 1300884728 LYRIPSJTBBEXEQ-ZCNNSNEGSA-N 465.664 2.472 30 10 JEEE C=C(C)COCCn1c(-c2cc(Br)cn2C)nnc1N1CCN2C(=O)CC[C@H]2C1 1300975318 SUKAGTHAJWVSSN-INIZCTEOSA-N 463.380 2.450 30 10 JEEE C=C(Cl)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1301033099 FEFCGMLHBLUOTE-AWEZNQCLSA-N 464.979 2.297 30 10 JEEE C=C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2cccc(S(=O)(=O)NC)c2)CC1 1301069823 GNSLEEQVNFYGMO-HSZRJFAPSA-N 475.615 2.432 30 10 JEEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1301260224 YICZMLRXKZEETK-NRFANRHFSA-N 450.543 2.443 30 10 JEEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@]1(N(C)C)CCSC1 1301422723 VFBVTYBTFLBYDW-DEOSSOPVSA-N 483.642 2.268 30 10 JEEE C=CCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1301453842 DBSSPWHHGRQCSO-MRXNPFEDSA-N 456.572 2.264 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1301586942 KRHZNFJEBNEFDT-FQEVSTJZSA-N 491.633 2.157 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(Cl)cc2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1301593955 YWMBLELRUQQMFE-OALUTQOASA-N 494.017 2.359 30 10 JEEE N#C[C@@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccnc(OCC(F)(F)F)c2)C1 1302977687 BZIVLZXNCLCFDX-KDOFPFPSSA-N 488.467 2.007 30 10 JEEE Cc1ccccc1OCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1304576375 FVLDQJUHXOONMZ-IBGZPJMESA-N 489.584 2.181 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OC)c(OC(F)F)c1 1358871757 JZHLFWHCWFMADU-STQMWFEESA-N 457.503 2.005 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCN(C)C(C)(C)C1 1358891928 PBQNSXQYSPVMFS-PMACEKPBSA-N 489.665 2.070 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H](C)Oc1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 1358955251 IMMGZGBOSMHXEF-AEFFLSMTSA-N 494.017 2.164 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H]1CCC=CO1)[C@@H]1CCS(=O)(=O)C1 1358957797 ALINTWQFEFNXFZ-RTBURBONSA-N 472.567 2.282 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@](C)(O)c1cc(C)oc1C)[C@H]1CCS(=O)(=O)C1 1358960538 GWHZBLIEBKFXSF-MBSDFSHPSA-N 471.583 2.028 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1C[C@H]1CN(Cc2ccccc2)CCCO1 1359024083 DXZGKGZIURKJCD-XZOQPEGZSA-N 453.587 2.159 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CC(C)(C)c2ccccc2F)CC1 1359040286 OENOTGBJZRRCAY-UHFFFAOYSA-N 468.577 2.499 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C(C)=O)C[C@@H]1C 1359291822 CGLHPPFMMPENNR-HKUYNNGSSA-N 454.575 2.394 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1359305681 KKGTWNSZYIXTJO-YFVAEKQCSA-N 455.607 2.301 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1359328579 IZJLMTAQXJBJFK-NVXWUHKLSA-N 498.696 2.356 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1359329030 WOUWCHZQEANXPU-UHFFFAOYSA-N 492.609 2.151 30 10 JEEE C=CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2CCOC[C@@H]2C1 1359343551 VPKWGJHYSIKUOQ-OALUTQOASA-N 494.662 2.027 30 10 JEEE CC(C)CO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCCS2(=O)=O)C1 1360056170 BBCIUFSVYPIHCO-FQEVSTJZSA-N 458.588 2.104 30 10 JEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 1442353420 KTSNFLHRZWYNKR-XHSDSOJGSA-N 450.985 2.217 30 10 JEEE C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCN(C(=O)c2ccccc2I)CC1 1478854711 RYHTVTLGFIUGFN-YOEHRIQHSA-N 469.323 2.350 30 10 JEEE Cc1nn(C)c(N2CCN(c3nnc(C(=O)NC(C)C)n3C[C@H]3CCCC3(C)C)CC2)c1C#N 1492726934 BNDBROBEJVJEBA-GOSISDBHSA-N 467.622 2.483 30 10 JEEE CN(CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cnn(C)c2)CC1)CC(F)(F)F 1503606847 AARROYXJUBONHG-UHFFFAOYSA-N 473.507 2.371 30 10 JEEE C#C[C@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(N2CCN(CC)CC2)nc1 1507543602 WYZFSRAQUHPZLC-FQEVSTJZSA-N 461.618 2.183 30 10 JEEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC(NC(=O)COC)CC1 1507596137 DEAURJJNOWNTIK-IBGZPJMESA-N 474.606 2.495 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1CCc1ccc(F)cc1Cl)[C@H]1CCS(=O)(=O)C1 1507631034 KYLYQXXKFUGYKG-KRWDZBQOSA-N 474.949 2.397 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1Cc1cc(C)nc(N2CCCC2)c1)[C@H]1CCS(=O)(=O)C1 1507633830 JAJOYPTZKLVWSK-NRFANRHFSA-N 470.643 2.455 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCCN1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1507639397 XUSDJDMPOOUHFU-LEWJYISDSA-N 463.648 2.268 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1CCn1cc(Br)cn1 1507661249 PZHIQTSSBDWUOR-HXUWFJFHSA-N 461.364 2.052 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H]2CC(=O)N(CCOC)C2)CC1 1507734624 RGJLTGSBDDTWPM-GOSISDBHSA-N 499.015 2.059 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1507744236 PUTUDYYQYNJECS-IBGZPJMESA-N 490.655 2.032 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1507799244 VQEBBRXWJPBQQG-NFBKMPQASA-N 468.602 2.145 30 10 JEEE C=CCCCCn1c(Cc2cccnc2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1507938380 BHEKOCBAQYFWTG-UHFFFAOYSA-N 484.630 2.173 30 10 JEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 1507968890 XCZUGINTRNSTMV-BEFAXECRSA-N 480.553 2.303 30 10 JEEE C=CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1508057717 JCRUYERFXGKDEB-UHFFFAOYSA-N 492.628 2.241 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCC(S(=O)(=O)CC)CC1 1508078561 DIZSJHONRBTNEL-UHFFFAOYSA-N 468.583 2.199 30 10 JEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1508086046 XEILGJHVGGXCGY-UHFFFAOYSA-N 482.570 2.171 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCCN(C(=O)C2CC2)CC1 1508091400 LCQFIAKMUMCSIB-UHFFFAOYSA-N 466.586 2.225 30 10 JEEE CNS(=O)(=O)CCn1c(-c2cccc(Br)c2)nnc1N1CCC(CC#N)CC1 1517618801 BDWUEPCQFKCDGN-UHFFFAOYSA-N 467.393 2.387 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2C[C@@H]2NC(=O)CC2(C)C)c1 1539039662 DYTWMLCHZHBFDE-FQEVSTJZSA-N 457.538 2.311 30 10 JEEE C#CCCCn1c(CCc2ccc(OC)cc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1539133737 JHIXHRJPFNGBSN-UHFFFAOYSA-N 459.616 2.346 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1[C@@H]1C[C@H]1CF)[C@@H]1CCS(=O)(=O)C1 1539203180 NZWYXMIYZVZRLV-QXAKKESOSA-N 459.547 2.304 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@@H]1CCN(CC)C1)[C@@H]1CCS(=O)(=O)C1 1539220897 WHPITLBKWYBWBA-IFMALSPDSA-N 455.628 2.146 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CC1(OC)CCCC1)[C@H]1CCS(=O)(=O)C1 1539230094 KBHMVMQGBGGDSF-FQEVSTJZSA-N 483.594 2.315 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(OC(F)F)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1539242245 QIOXYJHPPIBBOG-XUTLUUPISA-N 466.448 2.146 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2Cc2ccc(NC(=O)N(C)C)cc2)CC1 1539453550 LUFPRMVOOLSADH-UHFFFAOYSA-N 458.570 2.161 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(N(C)C)c(F)c2)CC1 1539462398 FVULUVJTRMBZRR-UGKGYDQZSA-N 456.566 2.011 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1539462573 XGSYWAAEJCUXRW-XZOQPEGZSA-N 467.614 2.450 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC2(OCCOC)CCOCC2)CC1 1539462968 QHIDVTPSZGLIIT-FGZHOGPDSA-N 489.661 2.164 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1csc(C)n1 1539668594 BUCVSJNHXFSPQS-QGZVFWFLSA-N 454.622 2.021 30 10 JEEE C=C(Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(CCOC)C(=O)C1)c1ccccc1 1539770244 HQZKHYCPATXMGM-UHFFFAOYSA-N 480.594 2.278 30 10 JEEE C=C1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1539840558 XWKUZLPWSAPCMP-FQEVSTJZSA-N 497.415 2.422 30 10 JEEE C=CCCOCCn1c(-c2ccc3ccccc3n2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1540029212 ZQKVFNPAHBCGAN-UHFFFAOYSA-N 491.596 2.259 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@H](CN2CCOCC2)C1 1540864964 QFSANCHCTCHVAD-QGZVFWFLSA-N 476.528 2.007 30 10 JEEE C=CCNC(=O)Cn1c(Nc2cnn(CC3CCC3)c2)nnc1-c1cccc(S(C)(=O)=O)c1 1540876612 WMXUHCVFEFFWAY-UHFFFAOYSA-N 469.571 2.391 30 10 JEEE CC(C)(O)CCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CC[C@](F)(C#N)C1 1541246110 CTNHNRKPZWWJDX-DEOSSOPVSA-N 455.582 2.246 30 10 JEEE C[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(OCC(N)=O)CC1)c1nccs1 1541865041 HWIMMXYVZPZHIV-INIZCTEOSA-N 481.582 2.460 30 10 JEEE CCCNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)CC2CC2)C1 1547220337 HYUTUYWAJNRLBJ-NRFANRHFSA-N 484.626 2.384 30 10 JEEE CS(=O)(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1555803163 DUBIUSOZYBBICT-UHFFFAOYSA-N 491.639 2.189 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N2CCCN(C(=O)c3cccc(F)c3)CC2)C1 1564530668 HCLOJUIAYSKMJV-HKUYNNGSSA-N 459.522 2.442 30 10 JEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccccc2C)CC1 1587766516 WERUWNAWHWSBJV-JOCHJYFZSA-N 486.642 2.050 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCc1cccc(F)c1)C1CC1 1587861203 IAXOPOGJBRDVKO-OAQYLSRUSA-N 475.590 2.375 30 10 JEEE C#CCCCn1c(Cc2ccsc2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1587872722 ROAQKQOOUCZWLK-UHFFFAOYSA-N 468.627 2.284 30 10 JEEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC1CCN(C(C)=O)CC1 1587975179 RCSJBZUADMYHKK-UHFFFAOYSA-N 461.570 2.393 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1Cc1ccc(OC)c(O)c1)[C@@H]1CCS(=O)(=O)C1 1588065182 VRGBHIBECPRVHZ-GOSISDBHSA-N 487.607 2.023 30 10 JEEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1Cc1c(Cl)c(C(F)(F)F)nn1C 1588090616 ZKYCXXJWTHEUHN-IBGZPJMESA-N 470.883 2.457 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H]1CN(CC(C)C)CCO1 1588315058 ZKDMIOBWCCWVTP-HXUWFJFHSA-N 477.613 2.491 30 10 JEEE C#CCN(CCOC)c1nnc(Cc2c(F)cccc2F)n1Cc1ccc(-n2cncn2)nc1 1588659008 BWVQMFGSFPENRW-UHFFFAOYSA-N 464.480 2.257 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2CCCc2cnn(C)n2)CC1 1588780729 WAAHQRCCWVJTSU-UHFFFAOYSA-N 499.417 2.233 30 10 JEEE C#CCN1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCC(C)(C)O)CC1 1588812100 PATRPLCSGMATPZ-UHFFFAOYSA-N 460.623 2.309 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2CCNC(=O)C(C)(C)C)CC1 1588946600 FURNQGJOJGBDSU-UHFFFAOYSA-N 464.614 2.305 30 10 JEEE C#CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1589036737 OBJMPVBXPVBSTE-KRWDZBQOSA-N 462.597 2.444 30 10 JEEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCn2cc(Br)cn2)CC1 1594097127 MKCJOMYZRWUDSC-HNNXBMFYSA-N 469.409 2.386 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CCSC1 1595239912 WRWFNVKDVHJBSH-UGKGYDQZSA-N 462.641 2.283 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1595523216 RSXZKKWJGZYSHP-KRWDZBQOSA-N 454.575 2.387 30 10 JEEE Cc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(CCC#N)CC2CC2)cc1 1612079344 AFNAKFHZWRACBR-FQEVSTJZSA-N 458.588 2.098 30 10 JEEE C=C[C@@H]1OCCC[C@H]1NCC(=O)N(Cc1ccccc1)c1c(O)nc(=O)n(CCCC)c1N 1618040776 DGUKBRMAJAWHFJ-MOPGFXCFSA-N 455.559 2.188 30 10 JEEE C=CCN(C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O)[C@H]1CCS(=O)(=O)C1 1626456844 YNEQTKDTMMCNAF-AWEZNQCLSA-N 456.567 2.070 30 10 JEEE CCOc1ccc(S(=O)(=O)NCCC(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)cc1 1638090534 FWRJPVAGOSCQKO-UHFFFAOYSA-N 454.512 2.153 30 10 JEEE C#CCNS(=O)(=O)N1CCN(C(=O)c2c(C)n(C3CCCC3)c3ccc(OC)cc23)CC1 1644285169 LFDZZDAPWDTHNL-UHFFFAOYSA-N 458.584 2.299 30 10 JEEE C#C[C@@H](NC(=O)N1CCCN(S(=O)(=O)c2cccc3cnccc23)CC1)C1CCOCC1 1682888997 XHOAQXDOOIJPAY-OAQYLSRUSA-N 456.568 2.069 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1689851266 OCDDDQYSIFXXDM-ZWKOTPCHSA-N 494.662 2.132 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1Cc1ncccc1N(C)C)[C@H]1CCS(=O)(=O)C1 1689985864 DBUIEKVIASEFGA-IBGZPJMESA-N 464.595 2.390 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@H](C)N(C)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1689986212 KYMXMNXYCXTXFO-ROUUACIJSA-N 490.630 2.166 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@H](C(C)C)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1689991677 BBGDQPLQSSELLE-FGZHOGPDSA-N 470.643 2.011 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1CC1(C(=O)N(C)C)CCCC1)[C@H]1CCS(=O)(=O)C1 1689994376 WXWAYFNGHUWCNL-QFIPXVFZSA-N 497.665 2.339 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1ccccc1CC)[C@@H]1CCS(=O)(=O)C1 1689996577 KHLKJDWRFASXFH-JOCHJYFZSA-N 466.611 2.377 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@H]1CCCS(=O)(=O)C1 1690093509 AVJXKBSJCMOZOC-QZTJIDSGSA-N 464.563 2.468 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN1C1CCCCC1 1690103274 BIZGYVMHSAMYDS-CTNGQTDRSA-N 463.648 2.063 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(C[S@](C)=O)cc2)CC1 1690136592 HOAHDYRXSYQJQR-YTTGMZPUSA-N 455.628 2.468 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCOc2cccc(Cl)c2)CC1 1690152310 GYQYFXAWBBRIRQ-UHFFFAOYSA-N 484.988 2.099 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2csc([C@H](C)OC)n2)CC1 1690152723 WBHAGTBOETWKIO-SFHVURJKSA-N 496.641 2.318 30 10 JEEE C#CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1690159645 IAIURFFMAPRFHH-HIFRSBDPSA-N 479.404 2.347 30 10 JEEE C=C(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(CCOC(C)C)CC1 1690284696 RIYBORVDPRXNNW-UHFFFAOYSA-N 461.636 2.361 30 10 JEEE C=C(C)Cn1c(CCOc2ccccc2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1690292755 PTLAJWUTGBOQPR-UHFFFAOYSA-N 480.613 2.416 30 10 JEEE C=CCCOCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCCN(S(C)(=O)=O)CC1 1690511953 GXYJBLHPEMJEMI-RTBURBONSA-N 469.652 2.261 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(Cc2cccc(Cl)c2)CC1 1690658954 FJVSHAYHTICBDN-UHFFFAOYSA-N 494.987 2.203 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1690676172 RUCREKIYZCZWJJ-IBGZPJMESA-N 468.537 2.348 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 1690722475 KSKVMRRPXXOJDI-LJQANCHMSA-N 497.625 2.443 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCC(N(C)C(C)=O)CC1 1690725116 GAGUHSTUIUUDPA-UHFFFAOYSA-N 481.569 2.195 30 10 JEEE CCn1cccc(Cn2c(C3CCN(c4ncccn4)CC3)nnc2N(C)[C@@H](C)CC#N)c1=O 1695792907 GGHQIJNYVAYBQG-SFHVURJKSA-N 461.574 2.420 30 10 JEEE CN(CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](S(C)(=O)=O)C1)CC(F)(F)F 1696812312 BAADEZKJHNKSEX-KRWDZBQOSA-N 470.521 2.324 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(SC)CC2)c1 1705506576 BOADRWPZYKHVIX-KRWDZBQOSA-N 473.624 2.132 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCCNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1705562638 HASNNNPHYKMLRD-QGZVFWFLSA-N 477.587 2.388 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1Cc1ccc(Cl)nc1)[C@H]1CCS(=O)(=O)C1 1705571061 WJOUKXWAMNNYFZ-KRWDZBQOSA-N 477.015 2.357 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H](C)c1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1705572384 ZOENYWBHORFGRS-LKRGOLFISA-N 491.614 2.037 30 10 JEEE C=C(Br)Cn1c(-c2cnccn2)nnc1N1CCN(c2nccc(OCC)n2)CC1 1705684930 HOAPTBFPLZXFKM-UHFFFAOYSA-N 472.351 2.159 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)C(C)C)CC1 1705707712 PULMZCCGWBFGCC-TUFLPTIASA-N 461.607 2.288 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(CCOC)CC1 1705708927 ITLONGZZIMOHBH-WIYYLYMNSA-N 474.631 2.019 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1CCC(OC)CC1 1705717842 SQVYIQYSOCJFNV-SFHVURJKSA-N 453.653 2.472 30 10 JEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2ccc(F)cc2)C1 1705820063 ZZCSOGUJUMDWLR-VQTJNVASSA-N 479.578 2.294 30 10 JEEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1cc(F)ccc1N1CCOCC1 1705879640 HBTGLYMIQRTFEY-UHFFFAOYSA-N 472.565 2.177 30 10 JEEE C=CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1705890357 LOLGXKUROAAERW-DLBZAZTESA-N 485.593 2.111 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cnn(C)c1 1705913025 BOQSQQGWXSMMIM-IBGZPJMESA-N 456.572 2.163 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc3c(c2)CCCO3)C1 1705917499 WYUPJWNPVTZMAX-APWZRJJASA-N 461.588 2.043 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cccc(C(=O)NCCC)c2)C1 1705924294 BUTHCUWXQZRUFD-NHCUHLMSSA-N 487.626 2.150 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1705930304 KMWCGSOVPHCTAT-KRWDZBQOSA-N 458.650 2.330 30 10 JEEE CC(C)(C)S(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1706185823 BMXSFVBWEXQRHF-LJQANCHMSA-N 470.599 2.231 30 10 JEEE Cc1ccsc1CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1707005224 GJUPUKSMIDLQPP-UHFFFAOYSA-N 486.623 2.423 30 10 JEEE CC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCCS2(=O)=O)CCN1CCOC 1709328087 HRDWQMLTVYLOAT-FCHUYYIVSA-N 486.642 2.331 30 10 JEEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCO[C@H](C(F)(F)F)C1 1722330248 QVKXNXGFNFNSPW-HNNXBMFYSA-N 456.494 2.419 30 10 JEEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCCN(C(=O)CCc2ccccc2)CC1 1722339512 WIXOVNDJIAXDAF-UHFFFAOYSA-N 462.598 2.485 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@]1(O)CCS(=O)(=O)C1 1722393292 YRJFTHFBLDYNNK-HXUWFJFHSA-N 467.378 2.264 30 10 JEEE C#CCN(CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1722403610 XZXPXMMDJFLEBT-XDOYNYLZSA-N 461.526 2.133 30 10 JEEE C#CCN(CC)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1Cc1cn(C2COC2)nn1 1722408096 ZGMJQBPJJZEXFV-UHFFFAOYSA-N 451.531 2.412 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H](C(C)C)N1CCOCC1 1722432993 WPMWTCBAFHUCQA-QFIPXVFZSA-N 477.613 2.491 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C)c2c(C)noc2C)CC1 1722440262 BIVWVFZOHDTTFI-MRXNPFEDSA-N 490.568 2.300 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2Cc2nccs2)CC1 1722441169 MSBWPTINFAHZNH-UHFFFAOYSA-N 498.012 2.332 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCN2CC=CCC2)CC1 1722443934 QPYGYWPVDVCPPV-UHFFFAOYSA-N 478.597 2.190 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccc(C)nc2)CC1 1722444231 VGBJYYHHIRAUNX-RUZDIDTESA-N 466.586 2.036 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc4cccnc34)n2C[C@H](COC)OC)CC1 1722445116 LSVKRGIIXXXKOI-HXUWFJFHSA-N 462.554 2.121 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H](C)CN2CCOCC2)CC1 1722447263 KNIITDWUBVGLCZ-FQEVSTJZSA-N 499.059 2.456 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCn2cc(C)nc21 1722517906 PEYXTKQYAJVHKH-RBUKOAKNSA-N 477.635 2.096 30 10 JEEE C=C(C)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 1722521499 SGCCZXLTEQQFOW-SFHVURJKSA-N 477.587 2.127 30 10 JEEE C=CC1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCCS(C)(=O)=O)CC1 1722578515 PQEDNEPHLCOWOJ-UHFFFAOYSA-N 456.572 2.029 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)N1CCOCC1 1722672744 YBKRVDKNVLQNQI-UXHICEINSA-N 476.622 2.486 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCN(C(=O)c2ccccc2OCC)CC1 1722690309 HJXZEALUSBQPDB-SFHVURJKSA-N 454.575 2.455 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N(C)C1CCN(C(=O)c2ccccc2)CC1 1722696096 AXRKZNQHPXKJGU-UHFFFAOYSA-N 459.554 2.383 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)Cc2cccs2)C1 1722718781 MYBRTFXSTMJIIB-GGPKGHCWSA-N 495.671 2.333 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1722730670 ZJPXLQGAZRWQHM-CVDCTZTESA-N 476.599 2.151 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCO[C@@H](COC)C2)nnc1C1(c2ccccc2)CCC1 1722736838 KJESKFYXDHKMHX-HXUWFJFHSA-N 460.600 2.201 30 10 JEEE CC(C)(C)NC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1722971303 DNUVTMOEJZAZRI-SFTDATJTSA-N 482.585 2.418 30 10 JEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)c1cc(OC)cc(OC)c1 1740574041 JISNRKMEALRYCH-HXUWFJFHSA-N 477.587 2.200 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccc1SC 1740591604 PQFPWIKRAHIJSA-GOSISDBHSA-N 463.629 2.383 30 10 JEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(=O)N1CCCCCC1 1740610598 GMJKKFOEMCAUQL-IBGZPJMESA-N 474.606 2.449 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CCc1cccc(F)c1F)[C@@H]1CCS(=O)(=O)C1 1740615741 KARXTBLQTIFPES-GOSISDBHSA-N 493.580 2.344 30 10 JEEE C#CCN(c1nnc(C2CCCC2)n1CCCS(=O)(=O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1740623011 MUYJSVVTBKDVLA-FQEVSTJZSA-N 490.651 2.426 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1cc(OC)ccc1OC(F)F)[C@@H]1CCS(=O)(=O)C1 1740628345 POJJPBCTZIKDNX-VQIMIIECSA-N 496.536 2.415 30 10 JEEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1CC1CCN(C(=O)OC)CC1 1740654768 QHGZUUDSYDTQBV-UHFFFAOYSA-N 459.554 2.458 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCN2CCC[C@@H](C)C2)CC1 1740690188 PCDHHLOCRQPIRE-HXUWFJFHSA-N 484.048 2.349 30 10 JEEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2CCNC(=O)c2ccco2)CC1 1740699556 LHSGVWRJZBVQOZ-UHFFFAOYSA-N 462.554 2.252 30 10 JEEE C=C(Br)Cn1c(N2CCN3C(=O)NC[C@@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740750792 UUNNGHMHFLUHQM-QLFBSQMISA-N 496.410 2.171 30 10 JEEE C=C(Cl)Cn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@H](CNC(C)=O)C1 1740804282 VAEOBTJZUGHTTI-CQSZACIVSA-N 457.760 2.140 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1740961159 NMFOROQFVUFUTM-FQEVSTJZSA-N 458.994 2.126 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCO[C@@H](COC)C1 1740988316 AEIKSWDJJAIEKA-MRXNPFEDSA-N 470.979 2.060 30 10 JEEE CO[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1)C(C)C 1748418186 AXPRJJLGMBYOFO-QFIPXVFZSA-N 465.602 2.232 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(NC(=O)C2CCC2)c1 1748639803 MJPASYDRTXMWDS-JKSUJKDBSA-N 458.588 2.133 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(COC)CCOCC1 1748665350 PTIOSVPTJOYMFO-KRWDZBQOSA-N 450.543 2.093 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cccc(C(=O)NC)c1 1748670831 CLDIECCPQMJNMW-XLIONFOSSA-N 482.585 2.452 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1Cc1cn(C2COC2)nn1 1748876886 XNKKACVZEUFKDZ-UHFFFAOYSA-N 475.553 2.415 30 10 JEEE C#CCN(CC)c1nnc(Cc2cn3ccccc3n2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1748931090 LATASQRUGBTHEA-IBGZPJMESA-N 459.529 2.459 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2Cc2ccn(C)n2)CC1 1749006011 FKJXOIDFBACDNQ-UHFFFAOYSA-N 491.596 2.489 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2Cc2ccc(C(N)=O)nc2)CC1 1749006663 WTUIVDUMWDDWMM-UHFFFAOYSA-N 477.956 2.107 30 10 JEEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cc(C)ccc2C)CC1 1749213221 HNVOKRYCNZCJQW-HXUWFJFHSA-N 476.647 2.424 30 10 JEEE C=C(Cl)Cn1c(N2CCN(C(=O)NC)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1749285188 ZILLWTIWWRYBIR-GASCZTMLSA-N 453.975 2.263 30 10 JEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H]1COc2ccccc2O1 1749402320 LVEGYDHIARMQKR-RXVVDRJESA-N 491.614 2.244 30 10 JEEE C=CCCCn1c([C@H]2CCCO2)nnc1N1C[C@@H]2[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1749450579 MHIXYMNZRDNRKA-XMTFNYHQSA-N 481.619 2.222 30 10 JEEE C=CCCOCCn1c(C2CCC2)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1749457386 QJASEEMHXQUDPQ-QRVBRYPASA-N 495.646 2.265 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCCC1 1749532693 VXZWEPFMJZWOQA-OAQYLSRUSA-N 454.600 2.340 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(NC(=O)OC)c1 1749575108 LPKZLLRTVKCTAI-LJQANCHMSA-N 490.586 2.016 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CCC[C@H](N2CCCC2=O)C1 1749739339 APMOUPFMMIKKRC-SFHVURJKSA-N 491.589 2.188 30 10 JEEE N#CCCN(CC1CC1)c1nnc(-c2cc(Br)c[nH]2)n1CC(=O)N1CCOCC1 1750389664 GSGNJEMYUAOMHG-UHFFFAOYSA-N 462.352 2.025 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1C[C@@H]1CC[C@H](F)C1 1751220673 FPWBEZNPRYHOKR-JQHSSLGASA-N 493.584 2.364 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCNC(=O)C1CCC1 1760101617 TVNLUXADJRBFJM-INIZCTEOSA-N 471.631 2.311 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CC[C@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1760182395 FGUAPVQQXGIHAQ-NHCUHLMSSA-N 453.568 2.403 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1cccc(N(C)C)c1)[C@H]1CCS(=O)(=O)C1 1760186931 BIJMLLJLWPBBNY-NRFANRHFSA-N 464.595 2.390 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H](C)N1CCN(CC)CC1 1760214455 PQSXJOVRSKUUNK-OAQYLSRUSA-N 462.598 2.205 30 10 JEEE C#CCN(CCOC)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CC[C@]2(CCOC2)O1 1760253226 OAAFARDYAXLDGY-ZJSXRUAMSA-N 451.527 2.153 30 10 JEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)c2ccccc2)CC1 1760450678 POEHFQGJZHFOFM-FQEVSTJZSA-N 487.626 2.172 30 10 JEEE CC[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1)OC 1764247411 AQFXDUXRJREKRC-NHCUHLMSSA-N 451.575 2.238 30 10 JEEE CCCCn1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C)C(=O)C2)c(C)n1 1765811475 DPPVRNRYWYNNMA-UHFFFAOYSA-N 462.558 2.361 30 10 JEEE CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1766686464 DQTKBTDEGGJRNT-UHFFFAOYSA-N 451.556 2.279 30 10 JEEE C[S@@](=O)C1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(S(C)(=O)=O)CC2)CCC1 1770360785 AAAHJKYBJXXHNN-SSEXGKCCSA-N 461.613 2.131 30 10 JEEE Cc1c(C(=O)Nc2c(C#N)nnn2Cc2ccc([N+](=O)[O-])cc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1870111070 WSIGBSOLVDMGQC-UHFFFAOYSA-N 452.343 2.483 30 10 JEEE C=CCOc1cn(CCCN2CCCC2=O)c(CNc2ccc3c(c2)C(=O)N(C)C3=O)cc1=O 1870808138 NBAWJZYZCUFMTQ-UHFFFAOYSA-N 464.522 2.264 30 10 JEEE C=CCn1cc(OCC(=O)OC)c(=O)cc1CNc1ccc(C(=O)NCCN(CC)CC)cc1 1870871035 VMKHWPHQTHXONZ-UHFFFAOYSA-N 470.570 2.270 30 10 JEEE CCc1sc([C@@H](C#N)C(=O)CN2CCN(CCO)CC2)nc1-c1ccc(OC)c(OC)c1 1872799837 MGCRLGPQOKFOQG-KRWDZBQOSA-N 458.584 2.176 30 10 JEEE C=C(I)C[S@](=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)O 1883745038 VDEXTMMECFVRMB-ZAMGYDSWSA-N 451.282 2.454 30 10 JEEE CC(C)N1CCN(CC#CCOC2CCN(S(=O)(=O)Cc3ccccc3F)CC2)CC1 1889642805 UEWDDBRHTPFVKG-UHFFFAOYSA-N 451.608 2.166 30 10 JEEE C#CCOCCOCC[S@@](=O)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 2019030723 RSFIJJPAMXLPLK-GRMGDBHTSA-N 485.558 2.393 30 10 JEEE CC(C)(C)OC(=O)N[C@]1(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C[C@H](O)C1(C)C 2073260007 XFQSOXYTAXKPEO-DFFLPILJSA-N 452.552 2.012 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CC(C(=O)NCc2cccc(B3OC(C)(C)C(C)(C)O3)c2)=C[C@H]1O 2188032565 RCJKHJNPDCJYIG-RBUKOAKNSA-N 458.364 2.186 30 10 JEEE 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 2223128857 YMGOCOYIDLYOCQ-CWQOZTLDSA-N 453.580 2.436 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H](CO)NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1Cl 2255764643 FPDKPIZHVDAYFM-AWEZNQCLSA-N 454.760 2.255 30 10 JEEE Cc1c(B2OC(C)(C)C(C)(C)O2)csc1C(=O)N(C)C[C@@H](O)CNC(=O)OC(C)(C)C 2255870949 KDAGXKMXUALFJX-AWEZNQCLSA-N 454.398 2.313 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)[C@H](O)C1 2255873213 BSIZGRQSMDBXDN-ZIAGYGMSSA-N 452.382 2.147 30 10 JEEE C=C(CS(=O)(=O)NCC1(O)CCN(Cc2ccccc2)CC1)B1OC(C)(C)C(C)(C)O1 2255951341 CVIWDPZCWRKGIF-UHFFFAOYSA-N 450.410 2.121 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@](O)(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C1 2256668879 HHLSACMHGMRDCA-HXUWFJFHSA-N 453.370 2.143 30 10 JEEE CC(C)(C)OC(=O)N1CCC=C[C@]1(C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2256679493 XEBOMJQZXRHEAP-HXUWFJFHSA-N 450.370 2.153 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)C2(B3OC(C)(C)C(C)(C)O3)CCC2)[C@H](S(C)(=O)=O)C1 2267505689 MCPQFNMBAJDJGR-LSDHHAIUSA-N 472.413 2.152 30 10 JEEE C[C@H](OCc1ccccc1)[C@@H](NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)O 2269036462 LUHBAIIPNUNHHI-KBXCAEBGSA-N 481.401 2.384 30 10 JEEE Cc1nc(NC(=O)C(CF)(CF)NC(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2277945346 GKJIJYUERFPULR-UHFFFAOYSA-N 456.299 2.225 30 10 JEEE Cc1c(C(=O)N[C@H](C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281809307 ZBCLUFSABXNHGU-HZPDHXFCSA-N 462.400 2.403 30 10 JEEE CC(C)n1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H]1COC[C@@H]1NC(=O)OC(C)(C)C 2281814731 MZACYDFHZQCVCP-SJORKVTESA-N 463.384 2.390 30 10 JEEE CCn1cc(C(=O)NC[C@H](F)C2CN(C(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2282048123 HTUBRVJAJZFIEB-HNNXBMFYSA-N 466.363 2.137 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@@H]1CN(CCO)C(=O)c1coc(B2OC(C)(C)C(C)(C)O2)c1 2282527717 HLOXNAOTQSAVPO-QGZVFWFLSA-N 464.368 2.413 30 10 JEEE COC(=O)[C@@H](CCNC(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)o1)NC(=O)OC(C)(C)C 2282583524 KUYHUSKJRAULOB-CQSZACIVSA-N 466.340 2.073 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2282589285 LRCWEZHHQAGTKP-ZBFHGGJFSA-N 462.400 2.403 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1CC[C@H]2NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2282628458 NQJVHJSKVVNGLT-DJIMGWMZSA-N 458.368 2.294 30 10 JEEE CO[C@@H]1C[C@@H](C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)CN(C(=O)OC(C)(C)C)C1 2283937630 WSDUAPVLNKZXRY-HUUCEWRRSA-N 481.424 2.331 30 10 JEEE C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C1 2283980989 HESTWBHJOYWHOY-KXBFYZLASA-N 460.380 2.145 30 10 JEEE C=CCN(CC=C)c1nc(NC(=O)C=Cc2ccc(OC)c(OC)c2)n([C@@H]2CCS(=O)(=O)C2)n1 2331675574 ATUPWKMWDQGNQW-GOSISDBHSA-N 487.582 2.485 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1 2362351563 HCQOWGUIWWEZFU-HOTGVXAUSA-N 460.384 2.191 30 10 JEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)OCC(=O)Nc3ccnn3C3CCCC3)CC2)cc1 18662426 HKVXTLKUYXBHJX-UHFFFAOYSA-N 485.566 2.452 30 10 JEEE C=CCN1C(=O)N[C@@H](c2ccsc2)C(C(=O)OCC)=C1CN1CCN(C(=O)C2CC2)CC1 36016806 YANBNZWFKZNCFH-FQEVSTJZSA-N 458.584 2.372 30 10 JEEE C=CCOC(=O)C1=C(C)N=c2sc(=C3C(=O)N(C)c4ccccc43)c(=O)n2[C@@H]1c1cccs1 252669299 HCANCDJJISBDSG-LJQANCHMSA-N 477.567 2.373 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)NCCNC(=O)c3ccc(Br)cc3)cc2C1=O 515875403 QLCTZKJNBXGTJM-UHFFFAOYSA-N 456.296 2.391 30 10 JEEE COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(C)c2)c(=O)n1Cc1ccccc1 609219837 CDHPHGPBXCZLMH-QGZVFWFLSA-N 465.550 2.060 30 10 JEEE C#CCN(C(=O)c1cccc(S(=O)(=O)N2c3ccccc3C[C@H]2C)c1)[C@@H]1CCS(=O)(=O)C1 729331440 OVZPMJZLTCTMEV-YLJYHZDGSA-N 472.588 2.089 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc(OCC)c(S(=O)(=O)N2CCOCC2)c1 1214225867 HQJDDFIRZQQTLL-JXFKEZNVSA-N 453.561 2.209 30 10 JEEE C#CCCCCn1c(COc2ccc(C)cc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1286336149 ZFDRGZOCZLCLRB-UHFFFAOYSA-N 466.586 2.142 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1CCCN(C)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1286387874 VSWORGIEBROTSA-IBGZPJMESA-N 488.614 2.224 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC(C)(C)N[C@@H](C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1286388857 CGQVERPVGBKMOS-SIKLNZKXSA-N 495.653 2.435 30 10 JEEE C#CCN(c1nnc(CCCc2ccccc2)n1Cc1cc(C)nn1C)[C@H]1CCS(=O)(=O)C1 1286390463 BANVFGIPSYNEKH-NRFANRHFSA-N 466.611 2.170 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1Cc1nccc(C(F)F)n1)[C@@H]1CCS(=O)(=O)C1 1286393992 SMQARUFTBUHBER-OAHLLOKOSA-N 493.565 2.036 30 10 JEEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1C[C@@](C)(O)C1CC1)[C@H]1CCS(=O)(=O)C1 1286395774 NFUVIGMVJNKDHJ-GBXCKJPGSA-N 472.611 2.262 30 10 JEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCCN(Cc2ccc(OC)cc2)C(=O)C1 1286495417 VDJOJOJISONBSQ-UHFFFAOYSA-N 496.637 2.128 30 10 JEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 1286495559 ZJXSMNQASZPKHR-UHFFFAOYSA-N 462.620 2.374 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCC(NC(C)=O)CC1 1286783228 HNMIITMRADZMKS-UHFFFAOYSA-N 491.390 2.123 30 10 JEEE C=CCOc1ccccc1Cn1c(CN2CCCC2=O)nnc1N1CCC(CNC(C)=O)CC1 1286799679 YVQJUZISWQZGNX-UHFFFAOYSA-N 466.586 2.366 30 10 JEEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1Cc1conc1COC)[C@H]1CCS(=O)(=O)C1 1300504752 RLQFYAPMFLQCKH-FQEVSTJZSA-N 499.593 2.283 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC[C@H]1COCCO1 1300560539 CLAUWIIZUZSKNO-IBGZPJMESA-N 454.527 2.239 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCc2cccc(C(=O)N(C)C)c2)CC1 1300726879 SNEZVAMIHKJVPW-QHCPKHFHSA-N 492.624 2.082 30 10 JEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccccc2OCC)CC1 1300768447 RJSSJLHPIZUIGR-UHFFFAOYSA-N 468.627 2.492 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](C)N1CCOCC1 1300805883 KBKCNNWXUAQOKN-ZYLNGJIFSA-N 488.633 2.299 30 10 JEEE C=C(Cn1c(N2C[C@@H](O)[C@H](CC(=O)OC)C2)nnc1[C@@]1(OC(C)C)CCOC1)c1ccccc1 1301009706 COWGJXCRADYHOE-DNRQZRRGSA-N 470.570 2.392 30 10 JEEE C=CCN(C)c1nnc(-c2cccc3cccnc23)n1CCNS(=O)(=O)Cc1ccon1 1301283345 WIEDBGFILQPINM-UHFFFAOYSA-N 453.528 2.223 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@@H](C)C[C@@H]1CC 1301576790 HFABNXANORZELU-WMZOPIPTSA-N 456.576 2.146 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](COc2ccccc2)C1 1301589756 WLPJGMJIDMHVDG-FPOVZHCZSA-N 476.599 2.057 30 10 JEEE CC(C)C(=O)NCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@](C)(C#N)C1 1302466080 BRCBHINCQBXYJU-XMMPIXPASA-N 462.558 2.094 30 10 JEEE Cc1cc(NC(=O)COc2ccc(Br)c(C#N)c2)n([C@@H]2CCS(=O)(=O)C2)n1 1307405669 FCLBIOHDVPYZSV-CYBMUJFWSA-N 453.318 2.203 30 10 JEEE CN(c1nnc(COc2ccc(C#N)cc2)n1CCCS(C)(=O)=O)[C@H]1CCCc2c1cnn2C 1314700328 ASYGAFOUTAUHRW-FQEVSTJZSA-N 483.598 2.411 30 10 JEEE C#CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@@H](C)C(=O)NC 1358913055 DYDKKIGAUAVANI-MSOLQXFVSA-N 462.595 2.208 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CCCNC(=O)C1CCC1)[C@@H]1CCS(=O)(=O)C1 1358958982 ZNIGAWURWMDJIF-JOCHJYFZSA-N 483.638 2.441 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1CCCN1CCCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1358961211 UJCNFQDTHNOTGW-UXHICEINSA-N 458.632 2.175 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Br)n2C[C@H]2COCCO2)CC1 1359043528 XMNMKBIANXSUKY-KRWDZBQOSA-N 488.386 2.089 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@@H](CC(C)C)N(C)C)CC1 1359046240 JWWPDAGQQVELTH-JOCHJYFZSA-N 451.619 2.206 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1359101078 KBMXAYAMAVXIME-NZQKXSOJSA-N 498.603 2.162 30 10 JEEE C=C(Cl)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)CCCS(C)(=O)=O 1359141254 AUSGXCVXCLKVNV-UHFFFAOYSA-N 460.387 2.485 30 10 JEEE C=CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(CCC(=O)N2)C1)c1ccccc1 1359194174 QIFOLWJDXWIWLR-LYHRCORUSA-N 472.615 2.107 30 10 JEEE C=CCSCCn1c(COc2ccc(F)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1359345677 MXGGOCCJIHQHAM-GOSISDBHSA-N 474.562 2.388 30 10 JEEE CC(=O)NC[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCN2CCCO)C1 1359433159 CEZFGHVJEKPOOU-JTHBVZDNSA-N 465.602 2.016 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H]2CCN(c3cccc(Cl)c3)C2=O)ccc1F 1435369505 ODQIONXDGPSLCY-QGZVFWFLSA-N 451.907 2.479 30 10 JEEE C#CC[C@@H](CO)NC(=O)c1cc(I)cc(I)c1 1450526846 NHOOVLMNNVGFEV-NSHDSACASA-N 455.033 2.010 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1C[C@@]1(O)CCO[C@H]1C 1497036521 CSYSTMKWFMZKIL-GKVSMKOHSA-N 499.591 2.074 30 10 JEEE COc1ccc(CCc2nnc(N3CCO[C@@H](C#N)C3)n2CC2(S(C)(=O)=O)CCCC2)cc1 1504230015 AESGLLAOPZPRHQ-FQEVSTJZSA-N 473.599 2.158 30 10 JEEE N#Cc1ccc(OCc2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2C[C@@H]2CCCS(=O)(=O)C2)cc1 1505319706 IBQORLNNWLYMOA-FUHWJXTLSA-N 499.515 2.321 30 10 JEEE C#CCCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1507589611 MQYMRNZWVSMLRP-KRWDZBQOSA-N 450.634 2.155 30 10 JEEE C#CCN(c1nnc(CC2CCCC2)n1CC1(C(=O)N(C)C)CCCC1)[C@@H]1CCS(=O)(=O)C1 1507635050 PDLODDCSERYXTJ-HXUWFJFHSA-N 475.659 2.286 30 10 JEEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](c1ccc(C)cc1)N1CCCC1 1507642615 LOINOOXKCKRJDY-RBBKRZOGSA-N 468.627 2.107 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccccc1CN1CC[C@H](O)C1 1507661586 ZZBOAXDJALZFHZ-LBNVMWSVSA-N 491.636 2.397 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@H](C(C)C)N1CCOCC1 1507710042 BVKOFBNPPKKGIV-NFBKMPQASA-N 469.586 2.233 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@H](C)N2CCc3ccccc32)CC1 1507741325 PULJZSINWKWGAG-IBGZPJMESA-N 450.587 2.232 30 10 JEEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(c2cnn(C)c2)CC1 1507745259 VXYIQEMRSWACNE-UHFFFAOYSA-N 467.599 2.389 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1nccc(C(F)(F)F)n1 1507772678 MQCCKANRKLRAAB-IFXJQAMLSA-N 468.505 2.224 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(Cc2cn3ccccc3n2)n1CCCN(CC)S(C)(=O)=O 1507773173 AFCOMKAXNOIUID-HSZRJFAPSA-N 469.615 2.180 30 10 JEEE C=C(Br)Cn1c(-c2noc3c2COCC3)nnc1N1CCC[C@H](NC(=O)CC)C1 1507781803 JKVIBAHCRKEXIE-ZDUSSCGKSA-N 465.352 2.409 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC([C@H](O)c2ccc(F)cc2)CC1 1508139449 GXIBPVALAARXJK-OAQYLSRUSA-N 486.573 2.425 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(F)(F)CC1 1508139457 HEVADKDVVKWBMM-UHFFFAOYSA-N 478.525 2.028 30 10 JEEE CCOCC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1516427282 IEDPVPXZRUWXHC-UHFFFAOYSA-N 453.591 2.090 30 10 JEEE CN(CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](CN2CCOCC2)C1)CC(F)(F)F 1517311263 GYPPEDDHPJBETB-LJQANCHMSA-N 477.535 2.469 30 10 JEEE C#CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1539120054 QMUKLXNQPLASFZ-GOSISDBHSA-N 465.620 2.429 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@]2(O)CCO[C@H]2C)CC1 1539430244 IAKXXDAZRQPTBT-STWLZBDKSA-N 453.587 2.330 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@](C)(O)C2CCCCC2)CC1 1539480635 DBDUWOSSBFTTLF-CJFMBICVSA-N 457.619 2.469 30 10 JEEE C#CCSCCn1c(Cc2ccccc2C)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1539518813 AZRLHKRKCLOBKT-LJQANCHMSA-N 464.599 2.076 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCCS(C)(=O)=O 1539533962 JQINOHBVWWMBDQ-OAQYLSRUSA-N 463.991 2.288 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1539615827 MGWAOHNNQOIIST-ZRNYENFQSA-N 477.635 2.216 30 10 JEEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@](C)(C(=O)NC)C1 1539803387 ISZZBGAAPZAIAI-YCRPNKLZSA-N 468.986 2.301 30 10 JEEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 1540040588 YQHBTSSYHVDIIN-UHFFFAOYSA-N 462.595 2.487 30 10 JEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 1540874950 WZSBQMDBIXXHTB-UHFFFAOYSA-N 494.556 2.398 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1540875346 IROHQKJARLEETP-MRXNPFEDSA-N 482.507 2.241 30 10 JEEE C=CCOc1ccc(Cn2c(Cn3nc(C)cc3C)nnc2N2CCC(NS(C)(=O)=O)CC2)cc1 1540878985 OHFRMIIHTPSFIZ-UHFFFAOYSA-N 499.641 2.271 30 10 JEEE CC(=O)N1CCC(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)CC1 1540948089 DCKNRYWMBXDTIT-IAGOWNOFSA-N 472.615 2.333 30 10 JEEE CC(C)(C)[S@@](=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC2(CC1)CNC(=O)C2 1541233300 HUEKQMSUUHKIJF-YTTGMZPUSA-N 454.600 2.470 30 10 JEEE CC(C)N(C)CC1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ncn(C)n2)CC1 1541599298 BMWSQWVQSAKLCI-UHFFFAOYSA-N 463.590 2.462 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H]2CCN(CCCc3ccccc3)C2=O)ccc1F 1545301386 HASOMDUFVNUDLN-HXUWFJFHSA-N 459.543 2.254 30 10 JEEE CCN(C)C(=O)Cn1c(CC(C)C)nnc1N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 1547316527 FRMPOZXTDOECOT-UHFFFAOYSA-N 466.546 2.401 30 10 JEEE CNC(=O)[C@H]1CN(C(=O)CCn2nc(C)cc2C)CCN1c1ccc(C#N)c(C(F)(F)F)c1 1548367927 XCFKOOGOYALWOS-LJQANCHMSA-N 462.476 2.244 30 10 JEEE Cc1cc(C(=O)N2C[C@@H](C(N)=O)C3(CCN(c4ccc(C#N)c(C(F)(F)F)c4)CC3)C2)n(C)n1 1548375129 DCVHKOUCMXSOQO-SFHVURJKSA-N 474.487 2.463 30 10 JEEE CNC(=O)[C@H]1CC2(CCN(C(=O)NCCOC)CC2)CN1c1ccc(C#N)c(C(F)(F)F)c1 1548380233 QNRMHGFUPRGHLW-GOSISDBHSA-N 467.492 2.340 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(COC)CCC2)c1 1587693962 YGJVUMWOHSQFEA-IBGZPJMESA-N 485.610 2.053 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1588068955 CQRAKVSZIVEXBD-INIZCTEOSA-N 458.510 2.109 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(C)c(Br)c2)n1CCNC(=O)c1cc[nH]n1 1588605129 ZLCBVYBWGGKFOT-UHFFFAOYSA-N 486.374 2.255 30 10 JEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2cc(OC)cc(OC)c2)CC1 1588968025 FMHNZZJOAVPJPX-UHFFFAOYSA-N 498.653 2.220 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N(C)CC(=O)N1CCOCC1 1589505798 OLPZPDNNJFZIBH-MBSDFSHPSA-N 485.585 2.239 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H]2CCOC2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1595659001 QFOKFLHYKVULOJ-FQEVSTJZSA-N 475.615 2.161 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2nnc3n2CCCCC3)C1 1595665341 SAVRGCDUCVFXBT-GOSISDBHSA-N 456.595 2.344 30 10 JEEE CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C2CC2)N(C)C)CC1 1613441684 GXPYPMVPVOMZOF-WMZHIEFXSA-N 478.645 2.194 30 10 JEEE Cn1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)cn1 1618407959 HRCJFXDISYGNTL-HXUWFJFHSA-N 478.557 2.328 30 10 JEEE C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)c1cc(C)c(I)c(C(=O)OC)c1 1622264769 MJMOAKNRYVJWQX-FZMZJTMJSA-N 465.309 2.256 30 10 JEEE C=CCn1c(SCC(=O)N[C@](C)(Cn2cccn2)C(N)=O)nnc1-c1ccc(Cl)cc1 1623323776 RXRYBAIAZWXRGQ-HXUWFJFHSA-N 459.963 2.134 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1cccc(NS(=O)(=O)c2ccc3nnn(O)c3c2)c1 1648749979 IBXRVCQYVBHCHU-YWZLYKJASA-N 457.512 2.180 30 10 JEEE C#CCN(c1nnc(-c2cnn(-c3ccccc3)c2)n1CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1689988067 INIOQEDVICQDTJ-KRWDZBQOSA-N 464.473 2.320 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CC(C)(C)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 1689993927 NVNSUVVQOIFHBJ-NRFANRHFSA-N 470.643 2.155 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Cl)c3)n2CCS(=O)(=O)CC2CC2)CC1 1690137735 HRTLRJQHQLYUTH-UHFFFAOYSA-N 490.029 2.389 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(Cl)cc2)CC1 1690150593 NGDCOQFGJJCJAE-UHFFFAOYSA-N 454.962 2.068 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1690430780 TUEDMVBMGPNNBI-IRXDYDNUSA-N 454.579 2.229 30 10 JEEE C=CCCOCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(NC(C)=O)CC1 1690508823 QIXDQTZESRXTFE-FQEVSTJZSA-N 492.621 2.284 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCO1 1690603528 CVVZZWCPAYPUFM-SFTDATJTSA-N 475.615 2.025 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCN(CC(=O)N(C)C2CCCCC2)CC1 1690666673 CGQJHTJLNWFLCE-UHFFFAOYSA-N 497.619 2.300 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 1690675916 JLMIXWDBQDZYTG-SFHVURJKSA-N 485.520 2.383 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCCC[C@H](SC)C1 1690714222 HRRYIHXFLKNADW-INIZCTEOSA-N 464.617 2.248 30 10 JEEE CCOc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)cc1OC 1696133758 GFABJGWQQFQUHQ-KKSFZXQISA-N 463.535 2.078 30 10 JEEE CN(C)c1cccnc1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](CC(N)=O)C1 1696611548 DHJVCVLMLOMVOZ-IBGZPJMESA-N 474.569 2.330 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCCn1cccn1)[C@@H]1CCS(=O)(=O)C1 1705559418 ALGBBKKVQSNZQI-OAQYLSRUSA-N 495.609 2.061 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1cc(F)ccc1F)[C@H]1CCS(=O)(=O)C1 1705569658 JARYLSLSOMCEBU-IBGZPJMESA-N 457.506 2.217 30 10 JEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCc1scnc1C 1705580023 BNZHZMQVFXUEDU-UHFFFAOYSA-N 453.597 2.319 30 10 JEEE C#CCN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CCn1cc(Br)cn1 1705605803 RQJPOGLWGHWFTN-IBGZPJMESA-N 451.369 2.437 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1705651542 AVJBDYGXYAOGLR-QFIPXVFZSA-N 456.572 2.066 30 10 JEEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1705657664 MOGPNOYAFAPWIC-QGZVFWFLSA-N 460.604 2.380 30 10 JEEE C#CCSCCn1c(N2CCN(C(=O)c3ccccc3O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1705664904 FHNOONUYGCTVMA-VWLOTQADSA-N 499.637 2.353 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccccc2F)nnc1N(C)CCS(C)(=O)=O 1705708353 BHMOCQLPACZLLH-OXJNMPFZSA-N 452.552 2.458 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1CCS(=O)(=O)NC(C)C 1705715434 FWEZNVUWWQYPLE-UHFFFAOYSA-N 459.576 2.324 30 10 JEEE C=CC1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCNS(=O)(=O)CC)CC1 1705781222 SVSHIZHVDBUZHO-UHFFFAOYSA-N 460.604 2.489 30 10 JEEE C=CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1NC(=O)CC1(C)C 1705881446 ORXZICQVFQPHSA-KRWDZBQOSA-N 489.646 2.100 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 1705899523 WGLMLSOFNUVZJG-GOSISDBHSA-N 462.514 2.203 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1705917164 QYLLWVYFBJOKTO-GOEBONIOSA-N 499.435 2.099 30 10 JEEE C=CCSCCn1c(C(C)C)nnc1N1CCN(c2cc(N3CCOCC3)ncn2)CC1 1705939969 RKSXIDZLCLHHIM-UHFFFAOYSA-N 458.636 2.274 30 10 JEEE CC(C)COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)C2CC2)CC1 1706521876 FQSSQNMPABHCQZ-UHFFFAOYSA-N 465.558 2.258 30 10 JEEE CCCN(CCn1c(N2CCO[C@H](C#N)C2)nnc1[C@]1(OCC)CCOC1)C(=O)OC(C)(C)C 1709740377 HKJKENWJFQSAAV-JPYJTQIMSA-N 478.594 2.306 30 10 JEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCc1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 1722358619 JOSHNFQTCLPACZ-LJQANCHMSA-N 476.002 2.037 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCN1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1722363907 CMRJOXHTSLMZRH-JOCHJYFZSA-N 473.618 2.367 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](c2cccc(OC)c2)N2CCCC2)CC1 1722429253 JDLWYZIMKUFIFA-QHCPKHFHSA-N 479.629 2.017 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2CC(=O)Nc2c(C)cccc2C)CC1 1722431028 LMKZMIJTZXOIOI-HXUWFJFHSA-N 454.575 2.013 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC(NC(=O)COC)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1722499249 IDLPEDOFZLVRAF-RZTXVSJASA-N 491.633 2.031 30 10 JEEE C=C(C)COCCn1c(Cc2ccsc2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1722534085 IRRVMAXGNAMGNT-JOCHJYFZSA-N 458.588 2.338 30 10 JEEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](CNC(=O)c2ccccc2)C1 1722542697 GDSCORWJSOIZNX-IRXDYDNUSA-N 481.022 2.287 30 10 JEEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1722583862 RDGJOHHLAGEIFJ-LLGFUMIMSA-N 455.625 2.265 30 10 JEEE CCNC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCSC2)CC1 1728669311 BMAWUVJXLWATPN-FQEVSTJZSA-N 483.642 2.130 30 10 JEEE CCNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@](C)(O)[C@@H](C)CC)CC1 1728676247 CNDQKEDIWLMJHY-UUOWRZLLSA-N 469.590 2.377 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1CCS(=O)(=O)N1CCSCC1 1740543243 LBXKGFJPLAPUSW-QGZVFWFLSA-N 493.655 2.189 30 10 JEEE C#CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC(OCC(N)=O)CC1 1740589655 DSTFIUVQVXXLGM-GOSISDBHSA-N 474.606 2.277 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CCCCC1(F)F)[C@H]1CCS(=O)(=O)C1 1740618710 KBHLXTUBPNPZPP-LQWHRVPQSA-N 486.585 2.382 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1Cc1nc(C)cs1)[C@H]1CCS(=O)(=O)C1 1740619692 QSNAELICTXESOX-KRWDZBQOSA-N 457.581 2.394 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H](C)N(C)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1740622117 USUDWISUEARUJP-NFBKMPQASA-N 478.622 2.487 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@H]1CSCCS1)[C@H]1CCS(=O)(=O)C1 1740623605 XSEVIYUQJGBRPW-DLBZAZTESA-N 463.654 2.124 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 1740629323 JNRBWASHTGGMDT-NSHGMRRFSA-N 479.002 2.331 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC(=O)NCC2CC2)CC1 1740701326 CLAPDISIOFQFCS-UHFFFAOYSA-N 472.952 2.230 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCCN(C(C)C)C(C)C)CC1 1740704967 YWAJKNHKZWSGSX-UHFFFAOYSA-N 452.607 2.210 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2CCCc2nc(C)no2)CC1 1740707161 RBBPJMSNFCCBNT-UHFFFAOYSA-N 461.570 2.467 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)CC(=O)NC(C)C 1740755616 BKQJCBTVJQMPKV-FXAWDEMLSA-N 489.646 2.180 30 10 JEEE C=CCC(C)(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCS(=O)CC1 1740847299 DNODJKXYIUNVCC-UHFFFAOYSA-N 450.634 2.409 30 10 JEEE C=CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2nccn3cnnc23)[C@H](C)C1 1740867864 YFYQAWJJMQPUFE-QGZVFWFLSA-N 466.594 2.316 30 10 JEEE C=CCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1740868603 OEYMAINIWKKNCI-OALUTQOASA-N 452.559 2.148 30 10 JEEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C(=O)N2CCCCC2)cc1 1740900011 SGMRQKNNXMAOQO-FQEVSTJZSA-N 457.600 2.477 30 10 JEEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1740943040 BKWLNKKMVLEOGO-UHFFFAOYSA-N 481.022 2.298 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CCO[C@@H](C)C1 1740953715 OZNSWNZQGTXOGT-ZDUSSCGKSA-N 450.337 2.244 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CC[C@H](C2CCOCC2)C1 1740964254 MJDKTUZHANUBPK-IBGZPJMESA-N 455.559 2.421 30 10 JEEE C[C@]1(C#N)CCCN(c2nnc(COc3ccc(F)cc3)n2CCCn2cc(CO)nn2)C1 1741987716 HGUYYPCJOKJPBK-JOCHJYFZSA-N 454.510 2.300 30 10 JEEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1748730009 BMZQFMREEJICKN-UHFFFAOYSA-N 451.575 2.035 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1CCc1ccc(Cl)s1)[C@H]1CCS(=O)(=O)C1 1748812624 YHHBFWFUOFQUFU-AWEZNQCLSA-N 462.988 2.319 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(O)CCOCC1 1748962399 GXFZUZCRQSLKOO-IBGZPJMESA-N 477.606 2.020 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2CCO[C@@H]2C(C)C)CC1 1749020375 QVRCJATVXBEQPU-MBDNFAEBSA-N 473.618 2.029 30 10 JEEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1749045144 WWZRATZCOGZGHE-UHFFFAOYSA-N 467.624 2.358 30 10 JEEE CO[C@@H]1CCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1749156117 HVKXVZBESSOZSK-TZIWHRDSSA-N 472.615 2.492 30 10 JEEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1749232824 UTVHEVHLRCBVRA-QPPBQGQZSA-N 481.645 2.236 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CCOC2(CCOCC2)C1 1749658154 HBDQSBJXPXBIEG-UHFFFAOYSA-N 482.404 2.457 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCN(C(=O)NC)CC1 1749677729 JBFVCSWHYKWXHJ-UHFFFAOYSA-N 469.590 2.053 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2C[C@@](C)(O)c2ccco2)c1 1760125306 HFIJPPKIORQFBW-XMMPIXPASA-N 459.510 2.236 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2CCN2CCOCC2(C)C)c1 1760128588 MTGFMYABUKCHMC-NRFANRHFSA-N 480.613 2.339 30 10 JEEE C#CCN(C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1760173471 WPKPPNNPRTVWJR-GOSISDBHSA-N 453.465 2.295 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CC(C)(C)NC(=O)OC(C)(C)C)CC1 1760262656 VBPBKXCUNIAHMP-UHFFFAOYSA-N 453.591 2.322 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1760314628 YKBOYZRMCATUAJ-TXBYWVTISA-N 460.579 2.209 30 10 JEEE C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N(C)CCCOc1ccc(S(C)(=O)=O)cc1 1760340227 PPYOCAMAWHQWRU-UHFFFAOYSA-N 461.588 2.399 30 10 JEEE C=C(Cl)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1760368447 BYGPBZOPYNQCBA-AWEZNQCLSA-N 453.952 2.378 30 10 JEEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCS2)C1 1767264359 HGHYGHMDBXETAJ-OALUTQOASA-N 476.628 2.142 30 10 JEEE CCS(=O)(=O)NCCn1c(CC(C)C)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1768298559 BZDWIECJMTXHHO-UHFFFAOYSA-N 460.604 2.335 30 10 JEEE COCCN(CCC#N)c1nnc(-c2cc(OC)ccc2Br)n1Cc1nncn1C 1771110123 FXIJPGAQMMMHNH-UHFFFAOYSA-N 475.351 2.259 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccccc2C(=O)O)cc1F 1862640678 RAMDDHXAWUEGTQ-NRFANRHFSA-N 484.480 2.443 30 10 JEEE CCN(CCc1ccncc1)c1nc(NC(=O)c2cccc(C#N)c2)n([C@H]2CCS(=O)(=O)C2)n1 1870031357 SNKHWOMRLOBQLD-FQEVSTJZSA-N 479.566 2.226 30 10 JEEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)N1CCN(C(=O)OCC)CC1)n2CCOC 1873558822 YZHPWQJLFFTUAB-UHFFFAOYSA-N 456.547 2.170 30 10 JEEE CCN1CCN(CC#CCOC2CCN(C(=O)c3cnc(O[C@@H]4CCOC4)c(Cl)c3)CC2)CC1 1890260054 ZNIOMDQNGNLYNH-JOCHJYFZSA-N 491.032 2.165 30 10 JEEE CCN1CCN(CC#CCOC2CCN(C(=O)CCc3cc(OC)cc(OC)c3)CC2)CC1 1890373040 NOVQFPSGKLUQTR-UHFFFAOYSA-N 457.615 2.285 30 10 JEEE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 1914902777 DYXXNQLFFSDECH-HXUWFJFHSA-N 480.590 2.349 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H]1CNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2247954359 ZSLZJEIKFVNBIX-ZDUSSCGKSA-N 458.411 2.335 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCOC[C@@H]1NC(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2255709464 WRSKDPYEEFPFQW-GJZGRUSLSA-N 452.382 2.459 30 10 JEEE C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc(B2OC(C)(C)C(C)(C)O2)ccc1Cl 2256617675 LJRLXJFKDSLHII-BXUZGUMPSA-N 455.748 2.247 30 10 JEEE CC(C)(C)OC(=O)N1CCSC[C@@H]1C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2256625237 UFMZWUBRPAFDIB-CYBMUJFWSA-N 469.438 2.411 30 10 JEEE C[C@H]1CC[C@@](NC(=O)OC(C)(C)C)(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2256665021 INAVKGNGXHBIKV-YUNKPMOVSA-N 452.386 2.281 30 10 JEEE Cc1csc(CNC(=O)C[C@H](O)CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2256678769 GYDAWDNXGZFFSL-AWEZNQCLSA-N 454.398 2.248 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)[C@@H](C(=O)O)C1 2267282644 FKAMMVSYQSEJAN-CYBMUJFWSA-N 466.365 2.193 30 10 JEEE C[C@H]1C[C@@H](NS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CN1C(=O)OC(C)(C)C 2267377457 IPMMPZLWGOFWEE-GOEBONIOSA-N 467.397 2.057 30 10 JEEE C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2267473483 GSJZYXJUOZFKTI-AEFFLSMTSA-N 477.461 2.382 30 10 JEEE Cc1c(C(=O)N(C)CC2CN(C(=O)OCc3ccccc3)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2267492914 FERDWEAMWPLNFM-UHFFFAOYSA-N 482.390 2.368 30 10 JEEE Cc1nn(C)c(C(=O)N(C)[C@@H](C)CN(C)C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267519718 IIKYKAIXLKMZIL-AWEZNQCLSA-N 450.389 2.355 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2CO)s1 2267568726 SHNZPGJXUJXZFF-HNNXBMFYSA-N 466.409 2.410 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)N1CCC(=CB2OC(C)(C)C(C)(C)O2)C1 2268637030 JHYRAYCBJNGPIW-INIZCTEOSA-N 472.413 2.105 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1CC[C@@H](C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)O1 2268649978 HCLNPDLIFIIEDO-HIFRSBDPSA-N 467.397 2.131 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(=O)O)N(C(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)C1 2281831007 SZDLYOGYIUVAQO-GJZGRUSLSA-N 464.324 2.161 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)C(C)(C)[C@H]2C1 2281982412 MXGADFYDDXLSJR-CABCVRRESA-N 460.384 2.426 30 10 JEEE C[C@H](O)CN(CCNC(=O)c1cccc(F)c1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2282406133 FWKCGIXQJMHXNR-HNNXBMFYSA-N 466.359 2.473 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1COC[C@H]1NC(=O)c1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2282463969 HRKBMDFUEJMNPD-MAUKXSAKSA-N 464.343 2.394 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(NS(=O)(=O)Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2282505558 GAKAGOBOKBMCCN-SBUREZEXSA-N 478.420 2.415 30 10 JEEE C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)CCN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282534960 JIHHUYBTJWPHCC-HZPDHXFCSA-N 462.400 2.485 30 10 JEEE CC[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282540108 DYHUXJYBGANPEA-WBVHZDCISA-N 462.400 2.485 30 10 JEEE CON(C(=O)c1nn(C)c(Cl)c1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2282548957 CRPQAIZCWAOANY-CYBMUJFWSA-N 484.790 2.386 30 10 JEEE Cn1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC3(CC3)C2)nc1B1OC(C)(C)C(C)(C)O1 2282551768 FUZZQLZHYLNPQO-UHFFFAOYSA-N 460.384 2.192 30 10 JEEE CC1(C)OB(c2cc(F)c(C(=O)N(Cc3ccccc3)CC3(O)CNC3)c(F)c2)OC1(C)C 2282565346 IQFZJKMHLAAXAJ-UHFFFAOYSA-N 458.314 2.241 30 10 JEEE CS[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 2282582485 XEEPMKRNFGRFJC-HUUCEWRRSA-N 480.440 2.108 30 10 JEEE C[C@H]1CN(C(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)[C@H](C)[C@H](C)N1Cc1ccccc1 2282621606 UTIBBJCUYJVEKC-OKZBNKHCSA-N 453.396 2.238 30 10 JEEE Cn1nc(C(=O)NC2([C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)cc1B1OC(C)(C)C(C)(C)O1 2282628259 MNIRSDLUSDZUMX-OAHLLOKOSA-N 460.384 2.239 30 10 JEEE CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H]2NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2283070699 YFENGTIFXPUVES-OAHLLOKOSA-N 458.368 2.295 30 10 JEEE C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C1 2283980986 HESTWBHJOYWHOY-BEFAXECRSA-N 460.380 2.145 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)CNc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)CC1 2284364127 VYZKABITAXAUOI-UHFFFAOYSA-N 464.347 2.011 30 10 JEEE CC(C)(C)OC(=O)N1CC2(C1)CN(C(=O)c1ccc(B3OC(C)(C)C(C)(C)O3)cc1)CCO2 2288575774 RAVCTDQXGMGCED-UHFFFAOYSA-N 458.364 2.448 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)OCc1ccccc1 2312862399 DEMFTRJQDGTBQD-HFSMHLIXSA-N 465.359 2.464 30 10 JEEE COC(C)(C)[C@@](N)(C#N)Cn1c(C)nc(I)c1I 2318291826 YEZCTYIGFWBBDW-LLVKDONJSA-N 474.084 2.047 30 10 JEEE CCCNC(=O)CSc1nnc(COC)n1N=Cc1cc(Br)cc(OC)c1O 2331564909 GDMNHIWALSBQHZ-UHFFFAOYSA-N 472.365 2.402 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H](C)CCN(C)C(=O)OC(C)(C)C)n1C 2337188743 UNHXOZNWOWZTMM-CQSZACIVSA-N 450.389 2.403 30 10 JEEE Cn1ncc(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 2359276366 MMAGRCCVQRJJQT-DLTWYDFYSA-N 460.384 2.141 30 10 JEEE CCC1(CNC(=O)c2c(B3OC(C)(C)C(C)(C)O3)nc(C)n2C)CN(C(=O)OC(C)(C)C)C1 2362482438 FNLVWTYYXIXIQF-UHFFFAOYSA-N 462.400 2.405 30 10 JEEE Cc1nn(C(C)C)c(C)c1/C=N/Nc1nc(SCC(=O)Nc2ccc3c(c2)C(=O)NC3=O)n[nH]1 20905119 PYMPXEXUDRACHC-GZIVZEMBSA-N 481.542 2.259 30 10 JEEE COc1ccc(OC)c([C@@H]2/C(=C(/O)c3ccco3)C(=O)C(=O)N2CCCN2CCOCC2)c1 103114350 PZYOVKDFKDVGPU-SADKCHQCSA-N 456.495 2.441 30 10 JEEE CCOC(=O)[C@@H]1CCCN(c2nc(O)c3c(n2)NC(=O)[C@H](C#N)[C@H]3c2ccccc2OC)C1 256032458 DYAKLZFMNCWKRB-FRFSOERESA-N 451.483 2.194 30 10 JEEE CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccccc3)c(=O)n2-c2ccc(F)c(Cl)c2)CC1 514913366 DGWDTYBAJAYKRM-UHFFFAOYSA-N 496.995 2.359 30 10 JEEE N#Cc1cccc(S(=O)(=O)NCC(=O)OCc2nnc(-c3ccccc3Br)o2)c1 769765455 HHJDPYNLZHOSQY-UHFFFAOYSA-N 477.296 2.392 30 10 JEEE CCOC(=O)c1cnn(CCC#N)c1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 1126995105 BLSNETRVKLRDNI-MRXNPFEDSA-N 459.528 2.013 30 10 JEEE C#CCC1(NC(=O)c2cccc(S(=O)(=O)NCc3ccc4c(c3)OCO4)c2)CCOCC1 1178169418 LURNQKBSSPCHET-UHFFFAOYSA-N 456.520 2.196 30 10 JEEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCN1CCOC(C)(C)C1 1286438359 YCYMVUUFLCSVSH-UHFFFAOYSA-N 473.647 2.117 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CC2(N(C)C)CCOCC2)CC1 1286474403 IVZJRGSJNCYJQH-UHFFFAOYSA-N 482.629 2.218 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCNC(=O)C1 1286554891 IUIDWWYYZBJWSX-NSHGMRRFSA-N 474.606 2.310 30 10 JEEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1286667662 SXCXGEVLYIEVFV-AWEZNQCLSA-N 496.663 2.197 30 10 JEEE C=CC[C@@H](Cn1c(C(=O)NC(C)C)nnc1N(C)CC(=O)N1CCOCC1)c1ccccc1 1286678008 NVEAHUHYYGTRFV-FQEVSTJZSA-N 454.575 2.071 30 10 JEEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2nc3ccccc3o2)CC1 1286692314 DJSKTOJGWYDDMU-MRXNPFEDSA-N 459.576 2.322 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1286779921 LJXCVUURIHTLIS-RBUKOAKNSA-N 499.591 2.442 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCC[C@H](C(N)=O)C1 1286780999 UJWPQAIGPKTOKY-IBGZPJMESA-N 461.570 2.357 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H](c2nc(C)no2)C1 1286792358 VPLPCFXKJMIXJR-INIZCTEOSA-N 455.494 2.374 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CC(=O)N2CCOCC2)C1 1286804279 JSRVKVFVICAKOO-HXUWFJFHSA-N 485.585 2.381 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccc(OC(F)(F)F)cc1 1288825489 GHMSMLFEQMLVOP-YVEFUNNKSA-N 476.456 2.277 30 10 JEEE CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(Cc2cscn2)CC1 1294912110 GYRULVCFFGVNBJ-UHFFFAOYSA-N 480.598 2.034 30 10 JEEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2CC(F)(F)C2)C1 1296328354 BVCFGXBLAXWROQ-KRWDZBQOSA-N 450.515 2.380 30 10 JEEE C#CCCCn1c(-c2ccccc2)nnc1N1C[C@@H]2[C@@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1300398946 DHDCMUFYMGFKEK-AABGKKOBSA-N 485.610 2.485 30 10 JEEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](F)c1ccc(Br)cc1 1300509673 RODVXRWGOZWXIY-YOEHRIQHSA-N 482.379 2.434 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(Cc2ccccc2)CC1 1300579609 XQQJQCDZXXKJHW-JOCHJYFZSA-N 481.622 2.097 30 10 JEEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1N(C)CCCC1(C)C 1300663732 HSDYSOAOQVHWCW-HXUWFJFHSA-N 487.674 2.445 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCS(=O)(=O)CC1 1300875077 MMRAJYYKCPQNJF-OXQOHEQNSA-N 462.572 2.178 30 10 JEEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H](N2CCCC2=O)C1 1300974944 QNFGWLVEWMEDBG-IBGZPJMESA-N 473.599 2.142 30 10 JEEE C=C(C)COCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1300991151 KQPHGNYSTHRYPV-QZTJIDSGSA-N 468.558 2.025 30 10 JEEE COC[C@@H]1CCCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCS(=O)(=O)C2)C1 1301250781 HAWWJEUCLAXSHC-WOJBJXKFSA-N 473.599 2.416 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CCN2C(=O)OC[C@H]2C1 1301485137 RSVCDPPGFOWGPL-CYBMUJFWSA-N 495.765 2.304 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N(C)Cc1ncnn1CC(F)F 1301489855 FEDZHCILYIJSLD-UHFFFAOYSA-N 450.881 2.394 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C2CCCCC2)N(C)C)C1 1301556630 IPGLGELTQCMXFX-NJDAHSKKSA-N 465.664 2.472 30 10 JEEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1301594466 CZYLBWQUPUZCBB-ZWKOTPCHSA-N 457.604 2.002 30 10 JEEE CC(=O)N1CCC(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(CCC#N)CCC(C)C)CC1 1301673934 FIBUYPWTQOZBLI-HXUWFJFHSA-N 464.636 2.205 30 10 JEEE Cc1ccc(NC(=O)c2nnc(N(C)[C@H](C)CC#N)n2CC2(C(N)=O)CCOCC2)cc1C 1304377657 HMUZYIOPMJKSRJ-QGZVFWFLSA-N 453.547 2.168 30 10 JEEE Cc1ccc(O[C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)cc1 1304391938 DWVXHHXWVFIMNT-JXXFODFXSA-N 450.540 2.106 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H]1CN(CC(C)C)CCO1 1358885378 JAAMMIWKBSGKLC-PMACEKPBSA-N 477.613 2.490 30 10 JEEE C#CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1358941061 XDXUUUZDMLQVAD-PBHICJAKSA-N 481.420 2.309 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(Br)c[nH]2)n1CC1(N2CCOCC2)CC1 1358986826 IKMPHDPPVXNHKA-UHFFFAOYSA-N 457.376 2.363 30 10 JEEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1359051294 RVCACDZPBZHWGL-GOSISDBHSA-N 456.572 2.378 30 10 JEEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1359061005 NRPVQGGHAGNUJR-KRWDZBQOSA-N 454.556 2.372 30 10 JEEE C=C(C)COCCn1c(COc2cccc(C)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1359135647 KGQDIKJNCBVMQH-UHFFFAOYSA-N 463.604 2.230 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3ccccc3n2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1359329731 SBNJEDDTLFIFAS-KRWDZBQOSA-N 484.582 2.371 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC2(CCC(F)(F)CC2)C1 1359332935 KNHYTQZETDDPLI-MRXNPFEDSA-N 492.614 2.187 30 10 JEEE Cc1cccc(CCCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@](C)(C#N)C2)n1 1492526538 CBAHSVBQHPEYIO-NFBKMPQASA-N 487.630 2.077 30 10 JEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)c1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1507622686 KSLDKGDSRWKXCU-CTNGQTDRSA-N 469.611 2.253 30 10 JEEE C#CCN(c1nnc([C@@H](C)CC)n1CCc1ccc2c(c1)OCCO2)[C@H]1CCS(=O)(=O)C1 1507623214 PQYNWCXGQFZQLE-HKUYNNGSSA-N 458.584 2.432 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC(=O)N(C)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 1507631940 VOEQONDIYXFZKB-FQEVSTJZSA-N 484.626 2.066 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1cccc(OCC(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 1507632485 MAJKUMCXHZGFQN-QZTJIDSGSA-N 498.527 2.398 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccc3Cl)n2Cc2nncn2C)n1 1507716080 GOVPWYZIAQGREZ-UHFFFAOYSA-N 465.949 2.258 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2Cc2conc2COC)CC1 1507719976 QZHBRSKFIANLSI-KRWDZBQOSA-N 454.506 2.495 30 10 JEEE C#CCN1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@H]2CC=CCO2)CC1 1507731597 MZTCFBDFXNHKGP-OAQYLSRUSA-N 470.618 2.493 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CC2(O)CCN(C(C)C)CC2)CC1 1507733897 CZBSIEMSRJIWST-UHFFFAOYSA-N 468.602 2.048 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CC2(CCOC)CCCCC2)CC1 1507740456 MOKAJPUWGAGVEO-UHFFFAOYSA-N 484.645 2.353 30 10 JEEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1507756647 PFTFLZPOMUETLD-UHFFFAOYSA-N 482.701 2.251 30 10 JEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 1507847676 PLKSXCYRAMLSFR-UHFFFAOYSA-N 466.586 2.017 30 10 JEEE C=C(Cn1c(N2CCN(CC(=O)NCC)CC2)nnc1[C@@]1(OC(C)C)CCOC1)c1ccccc1 1507850621 PTNIMRBYVPKFCN-AREMUKBSSA-N 482.629 2.290 30 10 JEEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1507934710 IWBODCQYYNHZCE-NHCUHLMSSA-N 492.690 2.060 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cn2nc(C)cc2C)n1CCC(=O)N1CCOCC1 1507999703 PQPAEMNJUCJVCI-UHFFFAOYSA-N 488.596 2.453 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(CCN2[C@H](C)CC[C@H]2C)CC1 1508072769 KJTXOIVQNUKEFC-NHCUHLMSSA-N 481.645 2.251 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@@H](CN2CCOCC2)C1 1508073283 ISOJPAPSGNAKFK-INIZCTEOSA-N 462.957 2.198 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N(C)CC(=O)NC(C)(C)C)cc1 1508098217 YQLISNQBZXWWPP-UHFFFAOYSA-N 454.575 2.478 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC=C(c2ccccc2)C1 1508145205 KOLCLPRZWWFBHQ-HXUWFJFHSA-N 476.624 2.075 30 10 JEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)Cc2csc(S[C@@H](C)C(N)=O)n2)cc1 1515902667 QFTWFURXEUVPFD-LBPRGKRZSA-N 454.599 2.097 30 10 JEEE COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@@H]2CCO[C@H](C)C2)CC1 1518641704 CSFUOVPOUNCYGQ-RTBURBONSA-N 452.559 2.317 30 10 JEEE N#CCC1CCN(c2nnc(CN3CCCC3=O)n2CCn2cc(Br)cn2)CC1 1521148699 FLGRBPGOGNHRDP-UHFFFAOYSA-N 461.368 2.190 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCCO3)n2C[C@@H]2CCS(=O)(=O)C2)c1 1539043188 OAWIRSMWNVZMAL-AZUAARDMSA-N 471.583 2.011 30 10 JEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1539101920 MOVVHFQQQZEPHG-NRFANRHFSA-N 497.625 2.019 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1CC1(O)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1539210877 HNMDRIMCBNGFHY-GOSISDBHSA-N 458.584 2.276 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1539284743 BCXWYDZKSNEXST-HXUWFJFHSA-N 485.514 2.243 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCCN(C)C(=O)OC(C)(C)C)CC1 1539428467 RUYDMCMHZVXKKP-UHFFFAOYSA-N 475.638 2.209 30 10 JEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1 1539514673 SYBPYRXCSLDTGR-INIZCTEOSA-N 462.620 2.479 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](Oc2ncccc2F)C1 1539517453 NZHOHCPYRGZIFZ-IAGOWNOFSA-N 479.603 2.129 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N(C)CC(=O)N1CCOCC1 1539643441 WCPNPXXSHRTHOB-FDDCHVKYSA-N 473.549 2.272 30 10 JEEE C=C(C)COCCn1c(Cc2ccc(F)cc2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1539750274 IYMYBVOINJUJNQ-OAQYLSRUSA-N 470.549 2.367 30 10 JEEE C=CCCCn1c([C@@H]2CCCOC2)nnc1N1C[C@@H]2[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1539999258 YYHXDGGRTKLFCY-AKHDSKFASA-N 495.646 2.265 30 10 JEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2ccccc2)C[C@@H]1C 1540036038 JXDXFTUWOHPRRI-RBBKRZOGSA-N 473.643 2.484 30 10 JEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1sccc1Br 1540073989 VZUBUJZOCFOJDQ-CYBMUJFWSA-N 476.422 2.106 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1540872072 BKIFUNMWCLHVRW-HUUCEWRRSA-N 453.996 2.082 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1c(C)nn(C)c1C 1540899120 DRCJYXVEFGOTMN-UHFFFAOYSA-N 453.572 2.404 30 10 JEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(c2nc(-c3ccccn3)no2)CC1 1587807983 LUXNYIUAUMUFGX-INIZCTEOSA-N 484.586 2.131 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC[S@](=O)CC 1588645919 FEBAPOLIULGSLV-ZUQCGGBESA-N 467.636 2.247 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Cl)c3)n2CCS(=O)(=O)CC=C)CC1 1588898833 DUGRXUCNWITLQC-UHFFFAOYSA-N 476.002 2.165 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCN(C)C(C)C)CC1 1588907484 CSMLNRVSJCWZSZ-UHFFFAOYSA-N 466.586 2.022 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1588962249 YNHHJEDVLWHRNQ-HXUWFJFHSA-N 496.587 2.221 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(Oc2cc(C)ccn2)CC1 1589070658 VTPXQPGBXZKBPP-SFHVURJKSA-N 475.640 2.298 30 10 JEEE C#CCSCCn1c(Cc2ccccc2F)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1589089607 UHGLFTWPZKLOBV-UHFFFAOYSA-N 479.585 2.195 30 10 JEEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(Oc2cncc(Cl)n2)CC1 1594680309 RGDIKLMJMMRSSO-CQSZACIVSA-N 469.999 2.346 30 10 JEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](OCCC)CC1 1594733254 POQVLVXQPUBDNL-RBUKOAKNSA-N 455.625 2.363 30 10 JEEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCC(NC(=O)C(C)C)CC1 1595530130 ULXYMEFTCODHLW-UHFFFAOYSA-N 463.586 2.480 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1595649025 LBOICHPMYCPOJF-HXUWFJFHSA-N 481.601 2.366 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2CCNC(=O)Cc2cccc(F)c2)C1 1595713585 BDRSEFIPAMHEST-LJQANCHMSA-N 451.506 2.014 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCC2(CCN(C)C2=O)CC1 1595784340 DNYHYFXHGLMRHS-UHFFFAOYSA-N 473.599 2.003 30 10 JEEE CC(C)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)N1CCOCC1)N1CCCC1 1598264462 DYNNDCKSSYKSGU-JOCHJYFZSA-N 465.602 2.232 30 10 JEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C)[C@@H](C)c1cccc(N2CCOC2=O)c1 1635235788 AVWIFVMZKVSFCA-HOTGVXAUSA-N 456.524 2.401 30 10 JEEE Cc1nn(C)c(N2CCN(C(=O)N[C@H]3CC(=O)N(c4ccc(Cl)c(F)c4)C3)CC2)c1C#N 1680474581 BNFLRCDPBJHWOS-AWEZNQCLSA-N 459.913 2.030 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CC[C@@H]2CCO[C@@H](C)C2)c1 1689870473 PCQATFMDVXKWQC-DSKINZAPSA-N 464.570 2.491 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@]1(N(C)C)CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1689985959 FWRMPCBUAIGRAT-ZYKOEDHHSA-N 470.643 2.477 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H](c1cccc(OC)c1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1689986690 VHAXAXCMYPDDLE-OFNKIYASSA-N 494.621 2.278 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@@H]1CCO[C@@H]1C(=C)C)[C@H]1CCS(=O)(=O)C1 1689992064 GPXWSENRCXDUAR-AWRGLXIESA-N 484.622 2.485 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1[C@H]1C[C@H](c2cccc(Cl)c2)C1 1690019844 SOSJTNAUNWYZLM-JBACZVJFSA-N 488.013 2.456 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CC(=O)N(CCOC)C1 1690075237 GDKJYFUUZMJFPQ-PMACEKPBSA-N 488.633 2.347 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C)Oc2ccc(Cl)cc2)CC1 1690124976 XXOPTSUDEREPIQ-QZTJIDSGSA-N 478.018 2.056 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H]2CCCN2CCCO)CC1 1690125145 BQLSTPWSGNUDHL-JOCHJYFZSA-N 457.022 2.124 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2CCn2cc(Cl)cn2)CC1 1690141699 AGABINDCULZCBO-UHFFFAOYSA-N 467.961 2.470 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)cc2OC)n1C[C@H]1CCN(S(C)(=O)=O)C1 1690200130 MFHSBLBAZSXYGH-GAJHUEQPSA-N 473.599 2.236 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2c(cccc2OC)C1 1690237115 VPGGSXMCYTXEHL-MDKPJZGXSA-N 475.615 2.441 30 10 JEEE C=C(C)COCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(S(C)(=O)=O)CC1 1690313016 JKVRYVMQBZRTJX-FQEVSTJZSA-N 462.572 2.397 30 10 JEEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 1690507227 HNZQAKCBXSSRSR-IBGZPJMESA-N 472.977 2.324 30 10 JEEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1CCC[C@@H](C)C1 1690508841 QOMWYHXJNSVJGY-QRVBRYPASA-N 455.625 2.219 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCCN(Cc2noc(C)n2)CC1 1690664430 RZHAJWLYXJQBPH-UHFFFAOYSA-N 488.955 2.444 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccc(Cl)cc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1690677518 YUZZSIPWPIRMCV-RHSMWYFYSA-N 460.991 2.241 30 10 JEEE C=CCOc1ccccc1Cn1c(-c2ccccn2)nnc1N1CCN(S(C)(=O)=O)CC1 1690682559 SDJKLUGWFDUNFW-UHFFFAOYSA-N 454.556 2.035 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(Cc3cn4ccccc4n3)n2CC(C)(C)C(=O)NCC)C1 1690709800 LGTGRKNJPUPLQB-IBGZPJMESA-N 451.575 2.460 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1690731250 FPDAGYKSSZJFGP-DOADOZAASA-N 479.647 2.045 30 10 JEEE C=CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)OC[C@H]2C1 1690746872 LTFWFYBLAUBFDB-SJORKVTESA-N 494.618 2.147 30 10 JEEE CCN(CC)CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2([S@@](C)=O)CCC2)CC1 1695643808 DEOLYBFWEOAKIS-PGUFJCEWSA-N 497.669 2.108 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2CCc2csc(C)n2)c1 1705507502 DHECGIAVJVZJHT-UHFFFAOYSA-N 477.594 2.464 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CC(=O)Nc1c(C)cccc1C)[C@H]1CCS(=O)(=O)C1 1705567033 SMVKZFMUTDVPDH-VQTJNVASSA-N 485.610 2.402 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCN1CCN(C(C)=O)CC1 1705585818 LGFDQYKNYIMIJR-UHFFFAOYSA-N 476.625 2.392 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2Cc2cc(C)no2)CC1 1705646111 RKXCOEAFWWNLKV-UHFFFAOYSA-N 464.526 2.273 30 10 JEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)OCc2ccccc2)CC1 1705652952 STKDHVKVBJTUGA-UHFFFAOYSA-N 470.599 2.242 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cc(Cl)ccc2OC)CC1 1705768964 FGXMUMAVAXYFLT-IBGZPJMESA-N 482.006 2.478 30 10 JEEE C=CC1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@]2(O)CCN(C)C2)CC1 1705780800 GUKMMHKQVRMUSY-HSZRJFAPSA-N 458.994 2.331 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1705895756 RBXAIVWBWNKRKK-UHFFFAOYSA-N 481.022 2.199 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1705897304 JYUZDPWGIIKOGT-KRWDZBQOSA-N 487.580 2.490 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(c2nccc(OC)n2)CC1 1705898626 ROLONEBQVMKEMX-UHFFFAOYSA-N 498.975 2.035 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1705907050 YNARKOGVPDBGGR-QHCPKHFHSA-N 459.522 2.073 30 10 JEEE C=CCSCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CC[C@H](C(N)=O)C1 1705943422 AGFISANLIKSLTD-INIZCTEOSA-N 467.599 2.296 30 10 JEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 1705947047 YLPIZOTWCJJOOE-NVXWUHKLSA-N 494.639 2.170 30 10 JEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 1722316110 BIFIKOPEZOXHTJ-IBGZPJMESA-N 471.631 2.224 30 10 JEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCc1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 1722358616 JOSHNFQTCLPACZ-IBGZPJMESA-N 476.002 2.037 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@]1(O)CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1722364026 WGHZANTUXLCJLL-WCAVRKLYSA-N 458.584 2.132 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@](C)(O)[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1722365614 NFCWFEHUQBHEAV-BOCKYXSRSA-N 462.591 2.432 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCO[C@@H](C)C1 1722417511 KDWHPQGPNMLOKO-LNLFQRSKSA-N 463.579 2.482 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1722444844 GUKPVHVKLXFOLD-IBGZPJMESA-N 469.611 2.044 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(=O)NC)CC1 1722495872 IFFKHGFBFBOWHZ-UWJYYQICSA-N 470.574 2.405 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1722537374 NILYFYDQSKEQKH-OALUTQOASA-N 453.609 2.117 30 10 JEEE C=CCCOCCn1c(-c2ccc(Cl)nc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1722624659 FAFUKXMNVIQUAK-UHFFFAOYSA-N 454.984 2.058 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCCOC2)n1CC1(O)CCS(=O)(=O)CC1 1722657918 BKBUZQHOPRNWEU-FQEVSTJZSA-N 460.600 2.304 30 10 JEEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCC[C@H](NC(=O)OCC)C1 1722698451 ZICUFSWOVUKXOZ-KRWDZBQOSA-N 465.558 2.454 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cn(C)nc2-c2ccccc2)C1 1722711474 VCWJQGFJXNREPS-YLJYHZDGSA-N 485.614 2.118 30 10 JEEE CC(C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N2CCCNC2=O)CC1 1723628804 ARSPCVIODSHQLU-UHFFFAOYSA-N 464.574 2.116 30 10 JEEE C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H](C)CN1CCOCC1 1723876265 DXXMSONXGUWUIQ-QYZOEREBSA-N 474.631 2.043 30 10 JEEE CC1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(NS(C)(=O)=O)CC2)CCOCC1 1724039090 CUPVWLAUGAXXIR-UHFFFAOYSA-N 458.588 2.151 30 10 JEEE Cc1nn(C)c(N2CCN(c3nnc(CC(C)(C)C)n3CC3([S@@](C)=O)CCC3)CC2)c1C#N 1725867391 HDVDZZJUMJWABX-MGBGTMOVSA-N 472.663 2.408 30 10 JEEE CC[C@H](C)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCN1CCN(C(C)=O)CC1 1727004982 CNYXZZIEOSFYJS-FQEVSTJZSA-N 464.618 2.154 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC)n2C[C@@H]2CCC[C@@H]2N2CCCS2(=O)=O)c1 1740564081 AJVQIBNFNOCCDK-FPOVZHCZSA-N 484.626 2.101 30 10 JEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1740595767 YFUDTQGBIRDEFK-GOSISDBHSA-N 469.615 2.265 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCC(=O)N1CCOCC1 1740677785 QKISXOYMHYJVEI-AREMUKBSSA-N 499.587 2.347 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCCOC3)n2C[C@H]2OCCC2(C)C)n1 1740689650 YLEAMINFIITAKY-TZIWHRDSSA-N 456.591 2.470 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCN2CC=CCC2)CC1 1740703115 GRQSRMUJTVOHKE-UHFFFAOYSA-N 486.418 2.263 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2Cc2ccc(OC)c(OC)c2)CC1 1740706787 CQCYFRLSXQWRFM-UHFFFAOYSA-N 474.565 2.295 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccc(OC)cc3)n2CCC(C)(C)O)CC1 1740708254 IRYOJAIVHLEQEX-UHFFFAOYSA-N 453.587 2.199 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CC)Cc1nc(O)c2ccccc2n1 1740717480 TTXMLXFDNFZDIK-MRXNPFEDSA-N 486.623 2.222 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](c2ccc(OC)cc2)C1 1740782611 WTQGCSXPPFYUCQ-ICSRJNTNSA-N 461.588 2.190 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1cccc(C(=O)N(C)C)c1 1740932485 OYGKJIJHWLUXPW-HXUWFJFHSA-N 457.600 2.303 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1740994951 WTLGWVJHINEXCV-QGZVFWFLSA-N 465.645 2.224 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CC1(N2CCOCC2)CCCCC1 1741919700 HOPWULQIFBCTHT-IBGZPJMESA-N 493.678 2.053 30 10 JEEE CCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1745652388 AUWPWRPYZQKGMU-AWEZNQCLSA-N 451.984 2.150 30 10 JEEE CCO[C@@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCc2cccc(C(=O)N(C)C)c2)CCOC1 1746695522 GWHUADVAFIYYOV-RPWUZVMVSA-N 470.549 2.317 30 10 JEEE C#CCCCn1c(COc2ccccc2F)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1748760708 CXDWTMBDACFMMP-FQEVSTJZSA-N 454.550 2.152 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@H](c1ccccc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1748811794 LOTWBMOSESILFE-IFMALSPDSA-N 466.611 2.213 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1cccc(Cl)c1C)[C@H]1CCS(=O)(=O)C1 1748811829 MFWIWGFZLKJRDY-SFHVURJKSA-N 458.975 2.315 30 10 JEEE C#CCN(CC#C)c1nnc(CSc2ccccc2OC)n1C[C@H]1CCCS(=O)(=O)C1 1748858799 IGISXBILBISIBW-GOSISDBHSA-N 458.609 2.477 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CC(C)(C)N2CCC[C@H](C)C2)CC1 1748971581 VZXWLOMGEJHTDL-FQEVSTJZSA-N 457.667 2.462 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2C[C@@H]2CCCN2CC)CC1 1749019103 KZBYCXHXXYLKRZ-FQEVSTJZSA-N 468.577 2.446 30 10 JEEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCc1ccc(Cl)cc1 1749038290 QAGJLKBJLHWFCL-IBGZPJMESA-N 498.074 2.310 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)OCC(C)C)CC1 1749114406 BRARFKYRFMSQPU-RBUKOAKNSA-N 462.595 2.312 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N1CCN(C(=O)COC)CC1 1749140163 MYPSIYWTAPUTCZ-WZONZLPQSA-N 473.549 2.272 30 10 JEEE C=CCCCCCN(C)c1nnc(-c2noc3c2COCC3)n1CC1(O)CCS(=O)(=O)CC1 1749383945 LVWVLJIBSUWJKU-UHFFFAOYSA-N 479.603 2.128 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCOC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1749546554 AISPQROIPHRAGJ-GCJKJVERSA-N 464.563 2.053 30 10 JEEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCC[C@H](O)C1 1749597764 MIQMMCMVQWNUMQ-MSOLQXFVSA-N 452.559 2.382 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1749701696 XOUWNLSTEZXKBN-MJGOQNOKSA-N 491.614 2.025 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@](F)(C#N)C1 1749726204 ZRVFKZOFGZWGGA-NRFANRHFSA-N 479.534 2.014 30 10 JEEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1C[C@]1(O)CCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1760191081 AGJMQGCIIVXTAX-KHCICDEESA-N 488.610 2.044 30 10 JEEE C#CCN(c1nnc(COc2ccc(Br)cc2)n1C[C@H](C)OC)[C@H]1CCS(=O)(=O)C1 1760191266 DOQKYDAMTFPRRB-RDJZCZTQSA-N 497.415 2.281 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN1Cc1ccccc1 1760220288 YPWIHLDDGAZVEX-GOTSBHOMSA-N 465.623 2.308 30 10 JEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@H](c1c(F)cccc1F)N(C)C 1760221978 RSVSNIRLRZBVRX-HXUWFJFHSA-N 454.525 2.445 30 10 JEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1Cc1ccc(C(=O)N(CC)CC)cc1 1760222016 UBVCXUVUWAFFAV-UHFFFAOYSA-N 460.582 2.394 30 10 JEEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1CCN(c2ncc(F)cn2)CC1 1760359497 PXHNYXNUOJNXQB-UHFFFAOYSA-N 458.567 2.482 30 10 JEEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2csc(C(C)(C)C)n2)CC1 1760510055 DSTVZGPNZHNUMH-MRXNPFEDSA-N 464.661 2.442 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1760517285 IMIWZBQEBHGYBV-KRWDZBQOSA-N 451.531 2.406 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1760517482 NQPITYVSJBUJDJ-UAVUOLJFSA-N 471.558 2.037 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N1CCC(CC(=O)N(C)C)CC1 1760519646 KOTYJQFDIYDLHO-UHFFFAOYSA-N 461.570 2.490 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)c2ccccc2)CC1 1760547749 QPZIHHROVQTEFH-UHFFFAOYSA-N 485.610 2.214 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](c2noc(C(C)C)n2)C1 1760548459 GXYKBTYDSACRFC-QGZVFWFLSA-N 491.618 2.005 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCCN(C(=O)c2ccccc2F)CC1 1760560241 ZNFRJGIRZORTGW-HXUWFJFHSA-N 491.589 2.222 30 10 JEEE CCCN1CC[C@H](Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3ccccc3C#N)CC2)C1 1764403476 GXGORLFFDTVTCC-FQEVSTJZSA-N 464.618 2.346 30 10 JEEE CCOC(=O)N[C@H](CC(C)C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](C(N)=O)C1 1765717278 HOKVOTRFBPASER-RBUKOAKNSA-N 453.547 2.289 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(Cn2nc(C)cc2C)n1Cc1cnn(C)c1 1769822349 CICXRSPSBMGOFP-UHFFFAOYSA-N 459.558 2.446 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@@H]2c2ccccc2C(=O)O)cc1OC 1862572447 GCJPXBCNTXAVJR-HXUWFJFHSA-N 468.462 2.116 30 10 JEEE N#Cc1cccc(C(=O)Oc2cccc3c2C(=O)N(Cc2ccc(S(N)(=O)=O)cc2)C3=O)c1 1865792651 CBGLTSFPGDQXJW-UHFFFAOYSA-N 461.455 2.221 30 10 JEEE CC(C)OC(=O)c1ccc(Cn2nnc(C#N)c2NC(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)cc1 1870109372 SEFAMNNRXGVMRB-KRWDZBQOSA-N 452.515 2.349 30 10 JEEE N#Cc1c(NC(=O)COc2nonc2C(=O)N(CCO)Cc2ccccc2)sc2c1CCC2 1872678537 AVYFHHMMCUOPMU-UHFFFAOYSA-N 467.507 2.144 30 10 JEEE COc1cc(/C=N/n2c(SCC(N)=O)nnc2[C@H]2CCCO2)cc(Br)c1O 1874444417 DKLPOVKILOXJRN-FQDFOOGXSA-N 456.322 2.066 30 10 JEEE Cc1cc(S(=O)(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)c(C)cc1Cl 1889641312 BGMMRFMRMCLXSJ-UHFFFAOYSA-N 454.036 2.377 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2csc(B3OC(C)(C)C(C)(C)O3)c2)[C@H](O)C1 2255705830 AJKQBEYGDABACB-HUUCEWRRSA-N 452.382 2.147 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@](CO)(NC(=O)c2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2255792790 NMHGTTWCLRXWGV-OAQYLSRUSA-N 452.382 2.149 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)NCCC1(O)CN(C(=O)OC(C)(C)C)C1 2260113668 JBRPMVYXAKHGLC-MRXNPFEDSA-N 454.568 2.452 30 10 JEEE CCc1nc(C(=O)NC[C@](C)(CO)NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2267475770 ONSGQXFVQBPWAP-OAQYLSRUSA-N 469.413 2.010 30 10 JEEE CN(C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)o1)[C@@]1(CNC(=O)OC(C)(C)C)CCOC1 2267555665 QNQDFZXBHJEWML-JOCHJYFZSA-N 450.341 2.335 30 10 JEEE CC(C)(C)OC(=O)NCc1ocnc1C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2268655618 OBOUZBWHAPVEME-UHFFFAOYSA-N 464.353 2.385 30 10 JEEE COC[C@@H](ONC(=O)OC(C)(C)C)C(=O)Nc1nc(B2OC(C)(C)C(C)(C)O2)ccc1Cl 2268656799 AVOIBBFJTDLCQW-CYBMUJFWSA-N 471.747 2.444 30 10 JEEE N#Cc1ccc(NS(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)c(Br)c1 2270541096 WSFSPJHLOWYASB-INIZCTEOSA-N 482.312 2.442 30 10 JEEE CC(C)(C)OC(=O)NCC1CC([S@@](C)(=O)=NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2281927957 HIGQXWBKFDAQFC-TUICBCIOSA-N 482.412 2.250 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C2(CC2)C1 2282025624 QXBYTHNKEOSXIG-INIZCTEOSA-N 458.368 2.295 30 10 JEEE Cn1cc(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 2282042343 BYDLTAKVKKLCAK-KCYZZUKISA-N 460.384 2.141 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@H]1COCCN1C(=O)OC(C)(C)C 2282122775 LUFBPXUIXATJKN-KRWDZBQOSA-N 463.384 2.173 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(F)ccc2B2OC(C)(C)C(C)(C)O2)C[C@@H](O)C1 2282398133 WVFQLMFGSKMJIM-MRXNPFEDSA-N 464.343 2.179 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2C[C@@H]3[C@@H]2CCN3C(=O)OC(C)(C)C)n1 2282537095 LRPHSGGKRYQOTK-ZMSDIMECSA-N 460.384 2.095 30 10 JEEE CCn1cc(C(=O)N[C@H]2CCOC[C@H]2OCc2ccccc2)nc1B1OC(C)(C)C(C)(C)O1 2282537732 VMHIVGMMOCTPAF-AZUAARDMSA-N 455.364 2.306 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccco2)n1 2282549112 FQQKSGXJNYHESC-HNNXBMFYSA-N 460.340 2.308 30 10 JEEE C[C@H]1CCN(C(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)[C@H](CNC(=O)OC(C)(C)C)C1 2282569316 PQDWTZXTBBRFNK-HOTGVXAUSA-N 462.400 2.485 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)C[C@@]12CCOC2 2282596103 ADBRHUOWRGQKQJ-RCDICMHDSA-N 479.408 2.341 30 10 JEEE Cc1cnc(C(=O)N[C@H]2COCC[C@@H]2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2282649246 YAOLYBSJLAMEPW-IRXDYDNUSA-N 461.368 2.101 30 10 JEEE CC1(C)OB(c2cncnc2C(=O)N[C@H]2CN(Cc3ccccc3)C[C@@H]2C(F)F)OC1(C)C 2282698205 AIBMKTCJLYOCNZ-WMZOPIPTSA-N 458.318 2.271 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@@H]1CCNS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282864429 FYZZBPGONYNHMW-QGZVFWFLSA-N 481.424 2.449 30 10 JEEE CN(C[C@H]1CCN1C(=O)OC(C)(C)C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(O)cc1O 2282918479 WJWGHQJNXKPWHQ-CQSZACIVSA-N 462.352 2.478 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@](F)(CNC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2283069473 PVZGNZXDKOSZER-QFIPXVFZSA-N 464.347 2.245 30 10 JEEE CC(C)(C)OC(=O)NCCOCCOCCC(=O)N1C[C@@H]2C(B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2283453082 CUWCJWFCOBKSND-IRXDYDNUSA-N 468.400 2.485 30 10 JEEE CO[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2283926573 PVWWZZSNMMDVKN-CVEARBPZSA-N 481.424 2.331 30 10 JEEE C[C@H](NC(=O)CN1CC[C@H](NC(=O)OC(C)(C)C)C1)c1nscc1B1OC(C)(C)C(C)(C)O1 2283956722 TWRGFERHIBEHDM-GJZGRUSLSA-N 480.440 2.219 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H](CO)C(=O)N1CCc2cc(B3OC(C)(C)C(C)(C)O3)ccc2C1 2284059833 IYCAYSMZEWSPLY-SFHVURJKSA-N 460.380 2.004 30 10 JEEE CCN1C(=O)[C@@]2(C(=C(O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCCN(C)C)c2ccccc21 2296157117 JHCOIVSOEOQYKR-MHZLTWQESA-N 491.544 2.352 30 10 JEEE Cc1c(C=C2SC(=S)N(CC(=O)O)C2=O)c(NCc2ccc3c(c2)OCO3)n(C)c(=O)c1C#N 2314522912 CMECXOZLJYPASZ-UHFFFAOYSA-N 498.542 2.192 30 10 JEEE COc1ccc(C=Nn2c(SCC(N)=O)nnc2[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)cc1 2325880546 CYIZGUMFTYOZQZ-MRXNPFEDSA-N 480.550 2.275 30 10 JEEE CO[C@@H]1C[C@@H](CN=c2cc(B3OC(C)(C)C(C)(C)O3)c(F)c[nH]2)N(C(=O)OC(C)(C)C)C1 2345716284 XNFGWOJLCULSKZ-LSDHHAIUSA-N 451.348 2.378 30 10 JEEE CN(C(=O)OC(C)(C)C)[C@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)CC12CC2 2362352317 ORPIGEOBCXPJHO-HNNXBMFYSA-N 460.384 2.191 30 10 JEEE C[C@H](NC(=O)/C(C#N)=c1\s/c(=C\c2cnn(C)c2)c(=O)n1-c1ccccc1)c1ccccc1 11124491 FBHBPKQTTLJIIA-NGDYOKTMSA-N 455.543 2.013 30 10 JEEE COC(=O)c1ccc(/C=N/Nc2nnc(SCC(=O)Nc3ccc(OC)cc3C)n2N)cc1 20806084 SCCZUNXLWLIXIU-FOKLQQMPSA-N 469.527 2.272 30 10 JEEE CCOC(=O)CCCCC(=O)c1[nH]c(=O)[nH]c1CSc1nc(N)c(C(=O)OCC)cc1C#N 59385925 RWJYYFVARUQUPD-UHFFFAOYSA-N 475.527 2.327 30 10 JEEE COc1cccc([C@@H]2/C(=C(/O)c3ccco3)C(=O)C(=O)N2CCCN2CCOCC2)c1OC 106551214 FWYWRCWFWKSGFW-GOBJLOIFSA-N 456.495 2.441 30 10 JEEE COC[C@H](C)/N=C(/NN)Nc1cc(I)cc(I)c1 690322677 RCQQNRFTGGMQTC-ZETCQYMHSA-N 474.084 2.162 30 10 JEEE Cc1ccc(-n2c(=C(C#N)C(=O)NCc3ccco3)sc(=Cc3cnn4ccccc34)c2=O)cc1F 729670563 WDVXDVKGUJXIKA-UHFFFAOYSA-N 499.527 2.407 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)[C@H](C#N)C(=O)NCCc3ccc(OC)c(OC)c3)cc2C1=O 916922035 UJWDVMJXLHXBRZ-IBGZPJMESA-N 461.474 2.167 30 10 JEEE COc1cc(C=NNc2nnc(SCC(=O)OCc3ccccc3)n2N)cc(OC)c1OC 1084227490 YCHMFBZLCLSKAI-UHFFFAOYSA-N 472.527 2.299 30 10 JEEE N#Cc1cc(F)c(S(=O)(=O)NCc2cccc(S(=O)(=O)N3CCCCC3)c2)c(F)c1 1186277100 BSHKERPJPFRKOB-UHFFFAOYSA-N 455.508 2.490 30 10 JEEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1286356568 JYLWCQSZSCOKLO-UHFFFAOYSA-N 469.553 2.382 30 10 JEEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1Cc1cnn(CC)c1)[C@@H]1CCS(=O)(=O)C1 1286398230 WNCUBZDUFDLIAA-OAQYLSRUSA-N 482.610 2.365 30 10 JEEE C#CCN(CC#CC)c1nnc(Cc2csc(C)n2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1286431069 RYFXHGCLGTUSLZ-GOSISDBHSA-N 466.533 2.360 30 10 JEEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](C(C)C)N1CCOCC1 1286446036 CKRYIJCRHAKQGY-NHCUHLMSSA-N 490.649 2.403 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cnn(-c3ccccc3)c2)n1Cc1cccn(CC)c1=O 1286458912 GLPJVJHFMHGXGG-UHFFFAOYSA-N 457.538 2.447 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1CCN1CCSCC1 1286461912 ZPAGEMOCSIPBPJ-UHFFFAOYSA-N 456.591 2.228 30 10 JEEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1286515405 YJWAFVVWLXVAJS-GMAHTHKFSA-N 490.718 2.363 30 10 JEEE C=C(Br)Cn1c(COc2ccccc2F)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1286547166 JLUCGOZOWZQBJW-HNNXBMFYSA-N 493.337 2.378 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)CCC(=O)NC 1286555087 JQQRVJOJSAGYOP-YWZLYKJASA-N 451.531 2.147 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCCCN2CCC)CC1 1286663147 HAAOXDJSXJTFCX-RTWAWAEBSA-N 480.679 2.278 30 10 JEEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCC(NC(=O)Nc2ccc(F)cc2)CC1 1286792564 BVFBATWCYXRDKP-UHFFFAOYSA-N 459.526 2.046 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC)[C@@H](C)C1 1286798106 BTMNLMXKWVHDDV-AZUAARDMSA-N 459.616 2.324 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(C(=O)OC)CC1 1286815162 NEIXKCVVIWEXSF-UHFFFAOYSA-N 485.513 2.036 30 10 JEEE C=CCS(=O)(=O)CCn1c(CSc2ccc(C)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1286823464 NWOSEEWENDJOQZ-QFIPXVFZSA-N 475.640 2.196 30 10 JEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccccc1OCCN(C)C 1300460505 WTGSAXCACSSWKI-UHFFFAOYSA-N 481.626 2.296 30 10 JEEE C#CCN(CCOC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H](F)COC 1300666335 XIBPVPUGARAQPU-GOSISDBHSA-N 453.559 2.463 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2Cc2ccc(OCC(F)(F)F)nc2)CC1 1300703357 HKEPOACACDINEM-UHFFFAOYSA-N 471.487 2.404 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2ccc(OC)cc2C1 1300871313 BGLJVHXRRJZALQ-CDXJDZJCSA-N 475.615 2.441 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1301137466 RQYFTOAMYLXWNB-SJORKVTESA-N 454.641 2.184 30 10 JEEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CN2C[C@H](C)O[C@H](C)C2)CC1 1301222887 IPILFZDMWFMTHM-SVFBPWRDSA-N 465.664 2.472 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCC(=O)N2)n1CC1(NC(=O)OC(C)(C)C)COC1 1301411210 UYRKALUSOMKWJV-GOSISDBHSA-N 486.573 2.351 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1301501451 XFWDMNXXVYFAFI-ZWKOTPCHSA-N 462.595 2.168 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCc2cc(OC)c(C)cc2C1 1301568118 OLFISTICTHDBJV-UHFFFAOYSA-N 496.593 2.406 30 10 JEEE C#CCN1CCC[C@@H](NC(=O)NCC(C)(C)S(=O)(=O)c2ccc(Br)cc2)C1 1311985392 CYFASHPJNXCCDU-MRXNPFEDSA-N 456.406 2.398 30 10 JEEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1c(CC)nn(C)c1OC 1358895634 NNRYOSHTZIIMTF-NRFANRHFSA-N 490.656 2.454 30 10 JEEE C#CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1358913547 QQHXBFJEPMKJHM-RTBURBONSA-N 495.646 2.403 30 10 JEEE C#CCN(c1nnc([C@@H](C)OCCOC)n1Cc1coc2ccccc12)[C@H]1CCS(=O)(=O)C1 1358957400 UCAPTLNPCFHZGJ-MJGOQNOKSA-N 472.567 2.423 30 10 JEEE C#CCN(c1nnc(-c2cn(C)c3ccccc23)n1CCCNC(=O)C(C)C)[C@H]1CCS(=O)(=O)C1 1358960518 GMKJYWIGGRMKTK-IBGZPJMESA-N 496.637 2.226 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CC[C@@](C)(CC)O1)[C@H]1CCS(=O)(=O)C1 1358962089 KCJNXMCLCUUSNM-ZVVDCOBXSA-N 450.605 2.494 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(F)ccc2Br)n1C[C@H]1CCS(=O)(=O)C1 1358971974 PCOOGGSNNLOEJT-CQSZACIVSA-N 465.348 2.354 30 10 JEEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(C)cc1OCCOC 1358976943 XWQPNUMQINROQX-UHFFFAOYSA-N 461.522 2.461 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccccc2OCC)n1C[C@H]1CCCCS1(=O)=O 1358982572 BOUFCNBFYPYZAR-LJQANCHMSA-N 456.568 2.296 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@](C)(O)C2CCCCC2)CC1 1359031731 NRLCSUUUVOARDM-VWLOTQADSA-N 485.654 2.435 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cn3cc(Br)ncc3n2)s1 1448104856 ZHOBXDCWJVFJBX-UHFFFAOYSA-N 456.347 2.199 30 10 JEEE C#C[C@H](C)N(C)c1nnc(Cc2csc(C)n2)n1CC1(N2CCOCC2)CC(OCC)C1 1507536816 GXISVAPNFKPYOG-JVPSVYLMSA-N 458.632 2.362 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@H](c1ccco1)N(C)C)[C@H]1CCS(=O)(=O)C1 1507632635 OOTCRTLPALOEHX-NSHGMRRFSA-N 461.588 2.042 30 10 JEEE C#CCN(c1nnc(COCC)n1Cc1ccc(-n2ccnc2C)c(F)c1)[C@H]1CCS(=O)(=O)C1 1507639573 ZRWFXMTXSGCQJH-IBGZPJMESA-N 486.573 2.123 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1507643800 RZRDRDKQEXTLEM-DEOSSOPVSA-N 484.608 2.351 30 10 JEEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 1507774886 DRPHEWUJJXNMBK-ZDUSSCGKSA-N 468.356 2.409 30 10 JEEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(c2ncccc2C#N)CC1 1508085311 GVCNEDMPGGHCNZ-UHFFFAOYSA-N 478.507 2.043 30 10 JEEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCN(Cc2c(CC)nn(C)c2Cl)CC1 1508089410 JSLYKTNYYGBUOY-UHFFFAOYSA-N 461.014 2.119 30 10 JEEE CC(C)NC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1509755268 FCNFAQRIKYIMQG-QGZVFWFLSA-N 494.003 2.424 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](CC)Oc1cccc(F)c1 1539016742 VJJHIYMZRIOKAV-QRFRQXIXSA-N 479.578 2.066 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCO[C@@H](C)C2)c1 1539038383 OFUKKRKYXJDMMK-PKOBYXMFSA-N 452.559 2.288 30 10 JEEE C#CCCCCn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1539044840 JTVRUVBMFJCSQM-IBGZPJMESA-N 464.636 2.004 30 10 JEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1C[C@@H]1CCC=CO1)[C@H]1CCS(=O)(=O)C1 1539224468 HIYXDFXKOZESFK-UNMCSNQZSA-N 470.595 2.391 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1ncnn1C(C)(C)C 1539315493 ORXBMBSSJPVTBA-UHFFFAOYSA-N 469.553 2.050 30 10 JEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN([C@H](C)c2ccsc2)CC1 1539498890 YFEHUAYZSOWKOX-DLBZAZTESA-N 482.701 2.199 30 10 JEEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1539967377 QKSWVOZUWJGMLP-NRFANRHFSA-N 492.690 2.061 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](CC)NC(=O)OC(C)(C)C)C1 1540894931 HSHIZTMAPPSVRI-QZTJIDSGSA-N 462.595 2.485 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1540905989 XZKPECMJDPEHHS-GOSISDBHSA-N 475.590 2.104 30 10 JEEE CCS(=O)(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(N(C)C)CCC2)CC1 1548329779 BZCVNOXGHCSJKS-UHFFFAOYSA-N 471.631 2.209 30 10 JEEE COCCNC(=O)[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CCN1C(=O)c1c(C)noc1C 1548372434 FAWKLMHCAITZAS-SFHVURJKSA-N 479.459 2.276 30 10 JEEE N#Cc1ccc(N2CCC3(CC2)CN(C(=O)CCn2ccnc2)C[C@@H]3C(N)=O)cc1C(F)(F)F 1548375075 AXZMXUYNGUSAGW-LJQANCHMSA-N 474.487 2.394 30 10 JEEE CN(C)C(=O)CCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(CC#N)CC1 1552683066 HVEDUYRCGIZTGE-UHFFFAOYSA-N 472.619 2.237 30 10 JEEE CS(=O)(=O)c1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCSC(F)(F)F)c1 1555793889 CKBWFZHSFSNWMI-CYBMUJFWSA-N 461.491 2.330 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1588030454 VTAGVCWGNQZKCB-CECAUBDESA-N 464.563 2.345 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(OCC(F)(F)F)c1 1588645837 DCHGSSNSCNZPLY-QGZVFWFLSA-N 486.516 2.256 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@H]2CCC[C@H](O)C2)CC1 1588899598 SQMVMURLHHBJPV-RXVVDRJESA-N 451.571 2.471 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2cc(OC)ccc2OC)CC1 1588962089 SZYXADREHMQTDF-UHFFFAOYSA-N 491.596 2.171 30 10 JEEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC(F)(F)F)CC1 1593747344 UWZSOULRRFACLL-KRWDZBQOSA-N 495.568 2.373 30 10 JEEE C=C(Cl)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 1593799729 CDGYQIMURLOTFV-UHFFFAOYSA-N 460.941 2.297 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1595475116 AAUGHZBQNITUMZ-BJLQDIEVSA-N 472.565 2.016 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 1595561809 CMGIHZVGLZVMFZ-HXUWFJFHSA-N 478.532 2.106 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](c2cccs2)N(C)C)C1 1595722452 KHJNDDMIFTYHDC-KSZLIROESA-N 465.645 2.326 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCN(C)C(=O)[C@H]1C 1595772619 FIROJUTUDHUBPG-OAHLLOKOSA-N 496.431 2.284 30 10 JEEE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3cccc(C#N)c3)n2CCCO[C@@H]2CCOC2)C1 1595976522 FSGRYGHNIQTXIJ-IFMALSPDSA-N 452.559 2.317 30 10 JEEE C=CC[C@@]1(C(=O)N2CCC(C(=O)NCC(=O)OCC)CC2)CCCN1C(=O)OC(C)(C)C 1631098982 LZVNWOJBHSLWKI-QHCPKHFHSA-N 451.564 2.250 30 10 JEEE C#CCN(Cc1ccccc1)[C@H](C)C(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 1645542980 HPZYJGLWAMLDFB-HXUWFJFHSA-N 455.580 2.478 30 10 JEEE N#CC1(c2ccccn2)CCN(C(=O)NCCN2CCN(C(=O)C3CCCCC3)CC2)CC1 1678889787 FYYOWUBXIWWMAX-UHFFFAOYSA-N 452.603 2.373 30 10 JEEE C#CCN1CCC[C@H](NC(=O)N2CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)C1 1685267028 OSRLYYUVGJGSKF-HNNXBMFYSA-N 459.399 2.107 30 10 JEEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCCN(Cc2ccc(OC)cc2)C(=O)C1 1689873551 NETSWGSICYZPLW-UHFFFAOYSA-N 466.586 2.467 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1Cc1csc(COC)n1)[C@H]1CCS(=O)(=O)C1 1689982944 XRDLPICTXSFZRI-SFHVURJKSA-N 487.607 2.232 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(CC)s1)[C@H]1CCS(=O)(=O)C1 1689997064 VDNAXCBPWKFOLE-SFHVURJKSA-N 472.640 2.439 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@]1(O)CCO[C@@H]1C 1690046043 VWGRMQDMGGYVFQ-UMEGOILYSA-N 471.602 2.395 30 10 JEEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1690183108 MFPZBKXFNPSHHT-IAGOWNOFSA-N 461.613 2.020 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1Cc1cccn(CC)c1=O 1690210659 GUQQMTSXAORFLP-HSZRJFAPSA-N 450.568 2.492 30 10 JEEE C=C(Br)Cn1c(COc2ccc(OC)cc2)nnc1N1CCN(CC(=O)NCC)CC1 1690233351 DRPAIFNJRTWZSH-UHFFFAOYSA-N 493.406 2.032 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCN(c2ccncc2)CC1 1690265384 NQZWBDVBEBEVER-NRFANRHFSA-N 487.674 2.190 30 10 JEEE C=CCC(C)(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1690422277 JSMSPXHPCRLCCF-LJQANCHMSA-N 495.671 2.421 30 10 JEEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc2c(cc1OC(F)F)OCO2 1690527672 QYHYZMXNHXJKPZ-LBPRGKRZSA-N 456.471 2.181 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(c2c[nH]c3ccccc23)CC1 1690660434 HHSIJLYDLOGVNC-MRXNPFEDSA-N 485.614 2.056 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC[C@H]2[C@H]2CCCO2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1690677027 KZYJWSSOGBLYKU-ZSYWTGECSA-N 474.606 2.499 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(c2nc(C)no2)CC1 1690717574 JXBHVVPKBTWCJR-UHFFFAOYSA-N 467.555 2.493 30 10 JEEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1CCS(=O)(=O)CC1CC1 1691328556 DUMJXDDFNWRPNX-CBGDNZLLSA-N 453.584 2.463 30 10 JEEE CC(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1692413132 AENOBDZHYDKWQY-GOSISDBHSA-N 459.620 2.128 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1705485143 DYVLEVCPKRVWKI-HZPDHXFCSA-N 459.480 2.263 30 10 JEEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1CC1([S@](C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1705560201 IKPPTIILPAOKQO-ISOMHIKHSA-N 474.652 2.358 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Cl)n1C[C@@]1(O)CCSC1)[C@@H]1CCS(=O)(=O)C1 1705565353 UGWVABMZSIKQSB-QRWLVFNGSA-N 467.016 2.093 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCS(=O)(=O)C(C)(C)C 1705620421 SYJMAXXXUNNXOI-GOSISDBHSA-N 496.630 2.172 30 10 JEEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2CC[C@@H](C(F)F)N2CCOCC2)CC1 1705640300 MTHSLEXOIRNNAQ-NRFANRHFSA-N 494.537 2.258 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@]2(C)CCCO2)CC1 1705650446 RSZFBRGIGFHAOV-RUZDIDTESA-N 451.571 2.412 30 10 JEEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCCN(C(=O)C(C)C)CC1 1705729904 CJJKSZGOGZAIAB-UHFFFAOYSA-N 455.563 2.213 30 10 JEEE C=C(C)COCCn1c(-c2cccc(OC)c2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1705730085 BZFVKPVCDCZVJX-FQEVSTJZSA-N 468.558 2.313 30 10 JEEE C=CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(C(N)=O)CC1 1705801647 MCTOTZHCQPELQF-UHFFFAOYSA-N 460.604 2.253 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)ccc2C)nnc1N1CC[C@@H](N2CCCC2=O)C1 1705938288 UFXYKPDVCDFEPK-HXUWFJFHSA-N 487.626 2.276 30 10 JEEE CC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](C(=O)NC)C1)NC(=O)OC(C)(C)C 1708780354 DBAOQXQNGHPCJV-RBUKOAKNSA-N 483.573 2.071 30 10 JEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2ccc(OC(F)F)cc2)C1 1722324495 SLAPNCVAHACQRV-QAPCUYQASA-N 483.541 2.481 30 10 JEEE C#CCN(c1nnc([C@@H]2COc3ccccc3O2)n1CC(C)(C)COC)[C@H]1CCS(=O)(=O)C1 1722365085 COKNKXLDGJCLDB-PXNSSMCTSA-N 474.583 2.090 30 10 JEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCOc1ccc(Cl)cn1 1722379051 LAXPKEYHIKGOEW-UHFFFAOYSA-N 483.985 2.438 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)COc1ccccc1OC 1722397292 OZUZUVORCAEHAA-PMACEKPBSA-N 470.595 2.367 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCc2c(F)cccc2F)CC1 1722446471 XLZIMDBAXGCYJX-UHFFFAOYSA-N 451.481 2.222 30 10 JEEE C=CCC(C)(C)Cn1c(N2CCC(NS(C)(=O)=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1722593541 VLTNFZAPISDUIY-JOCHJYFZSA-N 469.652 2.439 30 10 JEEE C=CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1722599486 WVYRGESYVQZZQO-UHFFFAOYSA-N 459.639 2.297 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(N3CCCCC3)nc2)C1 1722711076 SBRWEMKYIQVICP-ICSRJNTNSA-N 489.646 2.103 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCn2ccnc2C)C1 1722713945 HLKPLMCDNVAUDH-LJQANCHMSA-N 456.572 2.335 30 10 JEEE CN(Cc1cccc(C#N)c1)c1nnc(CNC(=O)c2cccs2)n1CC(=O)NCC(F)(F)F 1729409375 GUDULBWCGXETHE-UHFFFAOYSA-N 491.499 2.456 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1CCCCS1(=O)=O 1740645429 GACYBOAUOHPRRY-FQEVSTJZSA-N 488.013 2.292 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCCN1CC 1740647062 ISWRKARAJLBXAD-NRFANRHFSA-N 468.627 2.143 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2ccccc2F)n1CCC(=O)N1CCOCC1 1740649225 OWQRLHZFRDJFKZ-LJQANCHMSA-N 453.518 2.269 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCC[C@H]1C 1740676809 MVMWINNWZJUUHI-UYAOXDASSA-N 459.591 2.443 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCO[C@H]1C(C)C 1740731665 FMIAQGDVYNYMAP-IHFIDZABSA-N 479.647 2.054 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCCCS2)CC1 1740839646 MNNNWXNAVLLFQV-ROUUACIJSA-N 455.650 2.299 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCCS1(=O)=O 1740935200 FEYWJCFHZPMLHF-LEWJYISDSA-N 492.667 2.383 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC(C(=O)Nc2ccccc2)CC1 1740958189 KKSAEIVKPQYLLK-IBGZPJMESA-N 452.559 2.329 30 10 JEEE C[C@H](c1nccs1)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N(C)C)CC1 1741796022 FDOCGTCJNZHDBD-MRXNPFEDSA-N 450.572 2.245 30 10 JEEE CCCCN1CCCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1 1745488779 GFJVJRHVCDHYPZ-IEBWSBKVSA-N 451.641 2.283 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CC[S@](=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1748808473 CRSDNDALYGOOQY-DRKIFQHWSA-N 478.640 2.128 30 10 JEEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(SCC)c1)[C@H]1CCS(=O)(=O)C1 1748815570 RIJNVPKLMGPTTR-PKOBYXMFSA-N 473.624 2.016 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1ccc(N(CC)CC)nc1)[C@H]1CCS(=O)(=O)C1 1748817972 UEIOHKPJXVLVNI-RTWAWAEBSA-N 486.642 2.088 30 10 JEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CCOc1ncccc1Cl 1748855980 OEUDJAWEQLDYKE-UHFFFAOYSA-N 454.943 2.470 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cn(C)c3ccccc23)n1C[C@H]1CCCN1S(C)(=O)=O 1748883081 QTKOEBPTNQVUOL-LJQANCHMSA-N 464.595 2.324 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2Cc2ccc(N3CCOCC3)cc2)CC1 1749013984 ASTVYBVFHZBSIC-UHFFFAOYSA-N 464.614 2.327 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1749019527 YCBICCKHEFSSSO-NRFANRHFSA-N 478.597 2.046 30 10 JEEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1Cc1cccs1 1749037485 DCFZAKBWSXUYQY-MJGOQNOKSA-N 495.696 2.250 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1749132987 GKXOHNCIFJFJHE-RDGATRHJSA-N 481.645 2.236 30 10 JEEE C=C1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1749304082 UMHWKLLTYMTYDJ-ZWKOTPCHSA-N 481.619 2.178 30 10 JEEE C=CCSCCn1c(Cc2ccncc2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1749762098 OTFWSMSFUSJTNK-LJQANCHMSA-N 462.645 2.187 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCS(=O)(=O)C(C)(C)C 1760115759 BMSPEYHFXVVRHX-DLBZAZTESA-N 483.635 2.258 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1CC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1760181078 PFKSZLLVRHZLSC-RBUKOAKNSA-N 488.610 2.359 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1760187461 WBPPTGQSXHRMRO-OAQYLSRUSA-N 459.591 2.121 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCC[C@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1760189814 WWXHCSJNFQUJRO-AQNXPRMDSA-N 450.605 2.496 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC1CC(OC(C)(C)C)C1 1760219751 MNGQUYNLFUJPCK-XVAXZDLZSA-N 491.658 2.058 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1N(C)CCCC1(C)C 1760247931 VLNFHWXDARGWOP-NRFANRHFSA-N 477.613 2.398 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CCCCOC)CC1 1760268547 LMMNWQCSFKHGQB-UHFFFAOYSA-N 491.596 2.067 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CCN(C)c2ccccc2)CC1 1760271912 QVYDSGGJFBMNAV-UHFFFAOYSA-N 457.582 2.366 30 10 JEEE C#CCSCCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1760273671 BOUWTUXRCPERCJ-QGZVFWFLSA-N 470.990 2.497 30 10 JEEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1760283840 BUCXRBBVESCCPP-UHFFFAOYSA-N 496.681 2.378 30 10 JEEE C=C(Cl)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCO[C@@H](COC)C1 1760367320 HBFMBAQMLRINJH-OAHLLOKOSA-N 454.984 2.151 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccc(F)c1F 1760495362 MCXBHOYDKNETHP-GOSISDBHSA-N 467.542 2.310 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2OC)nnc1N1C[C@H]2CCCN2C[C@H]1C 1760558461 PNNCTPJZVDRYQY-RTBURBONSA-N 475.615 2.139 30 10 JEEE CNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@H]2CCO[C@H](C)C2)CC1 1767837987 FTZLIIPXIJVVKT-MOPGFXCFSA-N 467.574 2.395 30 10 JEEE COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCCO[C@@H](C)C2)CC1 1769477311 GBVWLDIYKNHBOI-IBGZPJMESA-N 467.574 2.206 30 10 JEEE COC1CCN(C(C)(C)Cn2c(-c3cccc(C#N)c3)nnc2N(C)CC(=O)N2CCOCC2)CC1 1770613698 BPQAMJUBOUGOSC-UHFFFAOYSA-N 495.628 2.001 30 10 JEEE N#C[C@]1(F)CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC2CCS(=O)(=O)CC2)C1 1771527611 ASSFVSNQOSEMQZ-QGZVFWFLSA-N 471.356 2.302 30 10 JEEE N#Cc1ccc(OCc2nnc(N3CCC(O)(C(F)(F)F)CC3)n2C[C@H]2CCS(=O)(=O)C2)cc1 1771534559 GWHUNTKNNFRCEP-MRXNPFEDSA-N 499.515 2.057 30 10 JEEE COc1ccc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2CCCNC=O)cc1O 1862737303 FXUPWDURARAAEI-LJQANCHMSA-N 455.423 2.023 30 10 JEEE CC(C)[C@H](C(=O)Nc1c(C#N)nnn1-c1ccc2c[nH]nc2c1)N1C(=O)c2ccccc2C1=O 1870143190 AYJKDRPDXVCGCE-LJQANCHMSA-N 454.450 2.275 30 10 JEEE C=CCN1C[C@H](C(=O)N2CCC(C(=O)NC[C@H](c3ccccc3)N3CCCC3)CC2)CC1=O 1872917528 DGCXFTZLQJXNPH-DHIUTWEWSA-N 452.599 2.213 30 10 JEEE C=CCn1c(C(=O)N2CCN(c3ccccc3F)CC2)cc2c(NCCN3CCOCC3)ncnc21 1875227414 AEKRZBMFLZAQIC-UHFFFAOYSA-N 493.587 2.463 30 10 JEEE N#Cc1ccnc(O[C@@H]2CCN(C(=O)[C@H]3CCCN(S(=O)(=O)c4ccc(F)cc4)C3)C2)c1 1890120323 WDPBXGYSDHGGAW-PKOBYXMFSA-N 458.515 2.173 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2255702384 FTZCAIVGWUEVQK-ZIAGYGMSSA-N 452.382 2.147 30 10 JEEE CON(C(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2255813293 SAHQKWCFVHOGHA-CYBMUJFWSA-N 453.370 2.455 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCN(S(=O)(=O)c2ccc(F)c(B3OC(C)(C)C(C)(C)O3)c2)C1 2267472977 YOOMFVGMCVFLBP-CQSZACIVSA-N 470.372 2.413 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@H](CCNC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C1 2267545121 DUUBHRLZCXCGFJ-CQSZACIVSA-N 467.397 2.198 30 10 JEEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCC[C@H](CNC(=O)C(F)(F)F)C3)s2)OC1(C)C 2267710996 DICRNIVFLCMPCJ-GFCCVEGCSA-N 482.355 2.127 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](O)C[C@H]1C(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)cs1 2268650551 JPTHAWYVVBQGPM-WBVHZDCISA-N 466.409 2.424 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@@H](COc3ncccc3B3OC(C)(C)C(C)(C)O3)O[C@@H]2C1 2279888479 FIGXYHYNYTUDMG-RYQLBKOJSA-N 462.352 2.163 30 10 JEEE C[C@H]1[C@H](NC(=O)C(F)(F)F)[C@H](C)CCN1C(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1 2281799938 BWOJRJSRISZSPK-DVOMOZLQSA-N 455.286 2.298 30 10 JEEE Cc1sc(C(=O)NC2(C(=O)O)CN(C(=O)OC(C)(C)C)C2)c(C)c1B1OC(C)(C)C(C)(C)O1 2281947906 XHZCVBDPIYZTOM-UHFFFAOYSA-N 480.392 2.468 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2CN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)C(C)(C)[C@H]2C1 2281983894 AFESKOFRVUNWPH-GJZGRUSLSA-N 460.384 2.426 30 10 JEEE Cn1cc(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 2282034409 HVJXWKJARKDUQH-CVEARBPZSA-N 460.384 2.048 30 10 JEEE Cc1c(B2OC(C)(C)C(C)(C)O2)cccc1C(=O)NCC1(O)CC(NC(=O)OC(C)(C)C)C1 2282118203 AWXDVCDZSZYTIG-UHFFFAOYSA-N 460.380 2.442 30 10 JEEE CC1(C)OB(c2c[nH]c(C(=O)NC[C@@]34CN(Cc5ccccc5)C[C@H]3CCO4)c2)OC1(C)C 2282208282 IDWABVJDIOOIMV-KBMIEXCESA-N 451.376 2.335 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H](NC(=O)OC(C)(C)C)CC(F)(F)C2)n1 2282532158 SWLQTMDUDMSMLJ-ZDUSSCGKSA-N 470.326 2.094 30 10 JEEE CN(C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282552096 HRLVRGAXVGXYFI-INIZCTEOSA-N 462.400 2.438 30 10 JEEE Cc1nn(C)c(C(=O)NC[C@H]2C[C@@H](C)N(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2282585865 RAMKDJJAFAAMFG-GDBMZVCRSA-N 462.400 2.403 30 10 JEEE Cc1c(C(=O)N[C@@H]2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282592939 KBRHNAFWICKGPO-OWCLPIDISA-N 460.384 2.013 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H](NC(=O)c3ncc(B4OC(C)(C)C(C)(C)O4)cn3)C[C@H]1C2 2282625622 XUMRHIVRMICSOL-BHYGNILZSA-N 458.368 2.294 30 10 JEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)CC2)n1 2282656157 RHNLNWAIIKOTAP-HUUCEWRRSA-N 463.388 2.070 30 10 JEEE CN(C)C(=O)CN(Cc1ccccc1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(O)cc1O 2282988911 XONOOMSIMYVCLS-UHFFFAOYSA-N 454.332 2.128 30 10 JEEE CC(C)(C)OC(=O)N[C@@]1(C(=O)NCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2F)CCOC1 2285185602 DEKAPAMKJIOTBM-QHCPKHFHSA-N 464.343 2.425 30 10 JEEE CCCNC(=O)CSc1nnc(CCOC)n1N=Cc1cc(Br)cc(OC)c1O 2331259677 LMDNLRQCXFNAAV-UHFFFAOYSA-N 486.392 2.444 30 10 JEEE CO[C@H](CNC(=O)OC(C)(C)C)CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1F 2339943271 NLTLDVALALMUFM-HNNXBMFYSA-N 452.332 2.394 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@]2(C(=O)Nc3ccc(B4OC(C)(C)C(C)(C)O4)cn3)CO[C@H]1C2 2359391078 HPBTTWQTBVAXBM-VBURHUQHSA-N 459.352 2.392 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC1(F)CC(CNC(=O)OC(C)(C)C)C1 2362350772 WHSKSDUKBYIJQR-UHFFFAOYSA-N 466.363 2.092 30 10 JEEE CCOc1cc([C@H]2C3=C(O)N=C(NCc4ccc5c(c4)OCCO5)NC3=NC(=O)[C@H]2C#N)ccc1O 72472489 MVPVQQMADJMRCO-MGPUTAFESA-N 489.488 2.243 30 10 JEEE N#CCOc1ccc(C2=NO[C@@H]3[C@H]4C[C@H]([C@@H]5C(=O)N(c6ccc7c(c6)OCO7)C(=O)[C@@H]54)[C@H]23)cc1 504474726 ZWSOCJIEOMTHPH-QYMKQVBWSA-N 457.442 2.492 30 10 JEEE COC(=O)Cc1ccc(N2C(=O)C(Sc3nc(C)cc(C)c3C#N)=C(N3CCOCC3)C2=O)cc1 526696954 RVUNFVRNIBVZGG-UHFFFAOYSA-N 492.557 2.495 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)C[S@@](=O)CC(=O)OCCOc3ccccc3)cc21 586351573 RUNYBBDJBGSAQS-JGCGQSQUSA-N 457.504 2.152 30 10 JEEE Cc1ccc(-n2c(=C(C#N)C(=O)NC(C)C)sc(=Cc3cnn4ccccc34)c2=O)cc1F 729670294 RDEKGQDFVAJCCF-UHFFFAOYSA-N 461.522 2.022 30 10 JEEE CC#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](CC(=O)OC)C(=O)O 757206019 CRUNQKCYINIPJE-FCHUYYIVSA-N 478.501 2.440 30 10 JEEE CNS(=O)(=O)c1cc(C(=O)O[C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)ccc1OC 914427293 HXXFDMUCCRTLOC-DBWCEAHUSA-N 451.545 2.079 30 10 JEEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)CN1C(=O)N[C@@](C)(c2cc(C)ccc2OC)C1=O 1140471788 PVVOISDGMMMJPO-DEOSSOPVSA-N 455.511 2.461 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H](C)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1286388359 NWLLRYBHNBKCKJ-UYAOXDASSA-N 487.626 2.073 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1Cc1ncnn1C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1286396705 YATSTUNABJRLDW-FQEVSTJZSA-N 481.626 2.199 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1286403969 PGXRONWTXHXTJD-SFTDATJTSA-N 461.545 2.373 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1286422384 ZCIKJRDLBJFPLJ-PKTZIBPZSA-N 476.606 2.484 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H](C)N(CC)C(=O)OC(C)(C)C)CC1 1286472863 LZGGCUGGOARTEH-NLFFAJNJSA-N 490.649 2.331 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCc2nc(C(F)(F)F)cs2)CC1 1286473654 VVNPUCNTEJWRLC-HXUWFJFHSA-N 484.548 2.403 30 10 JEEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2CCC2(O)CCOCC2)CC1 1286484306 IAAAUPXMQRGJKO-UHFFFAOYSA-N 453.587 2.161 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccccc2OCC(C)C)CC1 1286485463 MLKRRKOMEUCSDI-UHFFFAOYSA-N 480.613 2.465 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCNC(=O)[C@H](C)CCC)CC1 1286489550 XDQNWQMSSPXIDG-GOSISDBHSA-N 494.596 2.192 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@H]2NC(=O)CC2(C)C)CC1 1286492637 OTMKXODXKFHEGY-JOCHJYFZSA-N 492.624 2.354 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](OCc2ccccc2)C1 1286509216 OBXRCGOCOKVQSF-UXHICEINSA-N 460.625 2.342 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1286557245 HSXUOZKHGGBFSU-XQIYRAAOSA-N 476.524 2.489 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCO[C@@H](COC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1286565192 YQKOPHBPEABGFW-ISHFTEKXSA-N 450.580 2.152 30 10 JEEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1286602069 XCDGJATZGKMLIG-INIZCTEOSA-N 463.571 2.222 30 10 JEEE C=C(C)COCCn1c(N2CCN(c3ncc(F)cn3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1286614668 VZTBVJLRCXAQAZ-QHCPKHFHSA-N 475.569 2.167 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC([C@H]2CC2(F)F)CC1 1286630995 XZFSELFRISMNTG-CABCVRRESA-N 465.954 2.235 30 10 JEEE C=CCNC(=O)Cn1c(N2C[C@H](C)O[C@@H](C3CC3)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1286792842 JYQDDCFIRXWJPH-GDAAHCPNSA-N 474.606 2.355 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(=O)NCC)CC1 1286815087 KXEOWNXPPUEWJW-UHFFFAOYSA-N 466.995 2.051 30 10 JEEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@H](N2CCOCC2)C(F)(F)F)CC1 1286877941 UGCYHTKCEWLMER-FQEVSTJZSA-N 491.518 2.138 30 10 JEEE CC(C)NC(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1288201385 DWVGPDUYHQFIDL-OAQYLSRUSA-N 482.610 2.260 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCOc1ccc(F)c(Cl)c1 1288825129 AYZVPGOTXREVGJ-XIKOKIGWSA-N 474.921 2.202 30 10 JEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCC(n2cnnc2O)CC1 1297288710 CCMZAWKRSAGOJE-UHFFFAOYSA-N 450.293 2.259 30 10 JEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCCC[C@H]2c2nnc(C3CCOCC3)o2)cc1 1297616846 JGOUTQBLSOVWBE-IBGZPJMESA-N 458.540 2.243 30 10 JEEE C#CCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1300409824 KBPJQFSTFYFATE-JOCHJYFZSA-N 466.586 2.194 30 10 JEEE C#CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1CC(=O)N1CCOCC1 1300441247 HXPCIEZMZYSRHB-UHFFFAOYSA-N 452.740 2.289 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N(CC)C(=O)OC(C)(C)C 1300579421 VOWOYENTQPBENN-MOPGFXCFSA-N 477.631 2.289 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@@H]2COCCO2)CC1 1300711891 JODMUWKUDCVYFE-LAUBAEHRSA-N 487.988 2.453 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1ccccc1[N+](=O)[O-])C1CC1 1300952410 UKAMCZBLVNZSKH-LJQANCHMSA-N 476.559 2.264 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)c2nc(C)cs2)CC1 1301087258 ZKGWQZLVOLHRGU-DOTOQJQBSA-N 466.633 2.336 30 10 JEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1301197260 QVPYJGIDFSPTLZ-JYJNAYRXSA-N 456.613 2.204 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2ccc(F)cc2F)CC1 1301296728 JOBHJBDSDPDMEI-SFHVURJKSA-N 467.542 2.243 30 10 JEEE C=CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1CCN1CCOC[C@@H]1C 1301417066 NVAMBVDDRUTBTF-HNNXBMFYSA-N 453.385 2.395 30 10 JEEE C=CCOc1ccccc1Cn1c(Cc2cccnc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1301531251 GXWFUPGRFXVODK-UHFFFAOYSA-N 482.610 2.395 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](C)N2CCN(c3ccccc3)CC2)C1 1301536682 YWZLCIMMLSZEHY-GGAORHGYSA-N 481.645 2.408 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1301586809 JSPHCSUTAMPTCV-UHFFFAOYSA-N 497.581 2.100 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CCc2c(ccnc2O)C1 1301588389 YOVITXJPUNVHIB-UHFFFAOYSA-N 469.567 2.142 30 10 JEEE CC[C@H](C)NC(=O)c1cccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@](F)(C#N)C2)c1 1305625856 FJYNWYDZDUXLLW-HOSQHVHZSA-N 453.522 2.248 30 10 JEEE CCN(CC)[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@](F)(C#N)C1)c1ccsc1 1313663540 FRNQBUXPUNCXPC-MDYRTPRTSA-N 483.639 2.475 30 10 JEEE CS(=O)(=O)CC1(Cn2c(-c3cccc(Br)c3)nnc2N2CCO[C@H](C#N)C2)CC1 1316341189 DJXIHSBVFGJZPR-MRXNPFEDSA-N 480.388 2.261 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1CCCOCC(F)F)[C@@H]1CCS(=O)(=O)C1 1358959469 JIUFPUVHANQICF-QGZVFWFLSA-N 496.536 2.015 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(F)ccc2Br)n1CCOCCS(C)(=O)=O 1358987831 USMMNRYMHMUVGP-UHFFFAOYSA-N 497.390 2.371 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2C[C@H]2CCOC[C@@H]2OC)CC1 1359043465 VBBUHZMIHWJWAA-IRLDBZIGSA-N 451.571 2.271 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2C[C@@H](C)CNC(=O)OC(C)(C)C)CC1 1359046331 NSWCARBEOCTNQI-KRWDZBQOSA-N 458.607 2.357 30 10 JEEE C#CCSCCn1c(COc2ccccc2OC)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1359061947 QQUBGLLTOMLXDL-MSOLQXFVSA-N 455.584 2.195 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1359098265 ZICGYQMBFLFTJM-HBFSDRIKSA-N 460.579 2.125 30 10 JEEE C=C(C)Cn1c(Cc2ccsc2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1359123213 RUBWEDRILBAOPI-UHFFFAOYSA-N 461.617 2.059 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H]1CCOC1 1359258955 IBQLIZYERHARBN-SFTDATJTSA-N 475.615 2.230 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN([C@@H](C)c2nccs2)CC1 1359294629 ZXXQMGYCTQJBGF-INIZCTEOSA-N 482.570 2.495 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2(CC)CCCC2)C1 1359321839 MFGGXRYZSADACE-RTBURBONSA-N 467.636 2.363 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1359330497 UEQOAIIJFXDKSC-QGZVFWFLSA-N 478.962 2.469 30 10 JEEE CC(C)N(C)CCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1360107196 GPWCQTCUOLBINU-UHFFFAOYSA-N 451.554 2.356 30 10 JEEE C#CCN(C(=O)c1cccc(CN2C(=O)CNC2=O)c1)C1CCN(C(=O)OC(C)(C)C)CC1 1455813412 QLBOJSQSAXHWSY-UHFFFAOYSA-N 454.527 2.213 30 10 JEEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NCCCCn1cc(C(N)=O)nn1 1470489832 UUAYKBQNYJVYCF-UHFFFAOYSA-N 453.316 2.457 30 10 JEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 1507588519 MMULNBKDWFBRLX-DLBZAZTESA-N 491.017 2.497 30 10 JEEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(Cl)nc1)[C@H]1CCS(=O)(=O)C1 1507624814 DRYAXYPWGXKBRN-PGRDOPGGSA-N 494.017 2.042 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1Cc1ccc(N(C)C)nc1)[C@@H]1CCS(=O)(=O)C1 1507629193 KLNGBGVKOGAQHD-LJQANCHMSA-N 480.594 2.090 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCCOC[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 1507629472 UHVOOAYABWETKY-OALUTQOASA-N 494.017 2.206 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1CCN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1507632864 BAQHRCUYFDMPRM-QFIPXVFZSA-N 455.628 2.290 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cnccc1OC 1507700678 ULQGBYJOQHWESE-INIZCTEOSA-N 472.546 2.119 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(NC(C)=O)nc1 1507701170 YFGYTXSSXDHWKA-FQEVSTJZSA-N 461.501 2.410 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCO[C@@H]2CCCC[C@H]2C)CC1 1507715676 GPEONPCOKDBGHG-WOJBJXKFSA-N 451.575 2.276 30 10 JEEE C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1507822943 QNUVBTANAUOUQP-OAHLLOKOSA-N 462.352 2.095 30 10 JEEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1507840269 KWKVAEFGZMMUDO-QGZVFWFLSA-N 474.009 2.375 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(C)CN(C)C1=O 1508018628 HETXGDUNMGALOX-UZUQRXQVSA-N 460.579 2.243 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1c(F)cc(F)c(F)c1F 1508037317 AWQKUQVPICCSEM-GFCCVEGCSA-N 462.469 2.424 30 10 JEEE CC(C)CCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1CC1(S(C)(=O)=O)CCCC1 1509296717 CFQJNBXTXLHHRW-KRWDZBQOSA-N 450.609 2.353 30 10 JEEE CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCOC(C)(C)C2)C[C@H]1C 1515923351 FVJJGDQODDEKLD-HXUWFJFHSA-N 467.618 2.370 30 10 JEEE CCOC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCO[C@H](C(=O)NC)C2)CCCC1 1516239372 BYUZLHJXANOEDT-FQEVSTJZSA-N 468.558 2.029 30 10 JEEE N#Cc1ccccc1OCC(=O)N1CCN(C(=O)COc2ccc(Br)cc2)CC1 1529266858 HNPCQFOTPLDVCO-UHFFFAOYSA-N 458.312 2.449 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2Br)n1CCOCCS(C)(=O)=O 1538993138 FMWOBCCXVGWXQE-AWEZNQCLSA-N 455.378 2.227 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(=O)N1CCCCC1 1539017009 XDYGIMZQVWUTCP-OALUTQOASA-N 474.606 2.447 30 10 JEEE C#CCN(c1nnc(CN2CCCC2=O)n1CC1(CCOC)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1539230656 OOPPRORYEAKISX-HXUWFJFHSA-N 491.658 2.014 30 10 JEEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1539237270 BSOZZABBKPWJBZ-QFQXNSOFSA-N 478.597 2.060 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1[C@H]1C[C@H](c2cccc(F)c2)C1 1539368868 CHAQNPQHYQKNQL-IHPCNDPISA-N 461.563 2.328 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCN(CC)C(C)C)CC1 1539452368 QNEJSWJXOFEJPM-NRFANRHFSA-N 489.665 2.072 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 1539482888 XXMXUOIFKRNUHK-PMACEKPBSA-N 486.617 2.147 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H]2CCOC[C@H]2C)CC1 1539484628 XASGJGOAROJDSW-APWZRJJASA-N 456.616 2.272 30 10 JEEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1CCN(c2nccc(OC)n2)CC1 1539511396 WSGWWTGNHIVWKM-UHFFFAOYSA-N 450.572 2.140 30 10 JEEE C=C(Br)Cn1c(COc2ccc(F)cc2)nnc1N(C)CC(=O)N1CCOCC1 1539607193 AIEATAFJTWVGAH-UHFFFAOYSA-N 468.327 2.200 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CCCO)CC1 1539632343 QWZAHDSHNSOCKV-AABGKKOBSA-N 452.621 2.150 30 10 JEEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C(C)C)C1 1539751393 MJEUWCGRJMLAJM-RTBURBONSA-N 455.625 2.076 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2cccc(OCC)c2)CC1 1539847924 JEPIQEAIKCBYPG-NRFANRHFSA-N 475.615 2.409 30 10 JEEE N#Cc1cccc([C@@H]2C[C@H]2C(=O)N2CCC(C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)c1 1540420106 FMXNYSFEXIMCQM-LEWJYISDSA-N 452.536 2.186 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCN2C(=O)NC[C@@H]2C1 1540862628 GDYLZHMLKWMHAH-SJLPKXTDSA-N 487.992 2.204 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1540866251 IAWUKMQWVZRANV-KNQAVFIVSA-N 485.585 2.427 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H](C)CN2CCOCC2)C1 1540885572 LQLXSTDEWRMSRK-PZJWPPBQSA-N 489.642 2.098 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)c1cccs1 1540903377 DJYWJQPMWYQTBF-CABCVRRESA-N 458.631 2.040 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CC[S@@](=O)C(C)(C)C 1541673869 GIAHQUITECVHMZ-UUWRZZSWSA-N 489.621 2.301 30 10 JEEE CNC(=O)[C@@H]1CN(C(=O)CCc2c(C)nn(C)c2C)CCN1c1ccc(C#N)c(C(F)(F)F)c1 1548367735 KGKOTIDRENEELY-FQEVSTJZSA-N 476.503 2.323 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2C[C@H]2CCCN(C(C)=O)C2)c1 1587692768 LCOZXDDPHUFRRE-LEWJYISDSA-N 464.570 2.097 30 10 JEEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(CCC(N)=O)CC1 1587847840 UIQQYAIFQCWVBO-UHFFFAOYSA-N 457.604 2.134 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCOc1cc(C)cc(C)c1)[C@H]1CCS(=O)(=O)C1 1588053790 ICQCLAGOATYVPJ-RTWAWAEBSA-N 472.611 2.495 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1Cc1cnn(CC)c1)[C@H]1CCS(=O)(=O)C1 1588058682 AIDBQRZWYRYXNO-KRWDZBQOSA-N 474.537 2.039 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1Cc1cnn(-c2ccccc2)c1)[C@H]1CCS(=O)(=O)C1 1588059388 NCFALNNORULLDY-NRFANRHFSA-N 452.584 2.337 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@@](C)(OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1588064458 IKBXWNQQOFKCLO-WIYYLYMNSA-N 463.629 2.076 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCC1CCC(OC)CC1)[C@@H]1CCS(=O)(=O)C1 1588069183 JDFYAUTYANYCML-ATKRNPRHSA-N 488.658 2.362 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](CC)c3ccccc3)n2C[C@@]2(C)CN(C)C2=O)CC1 1588890933 IVKVMCZLRDJPSN-QFQXNSOFSA-N 462.598 2.264 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2CCNC(=O)OC(C)(C)C)CC1 1588961724 KAUAQRAVOJNGDA-UHFFFAOYSA-N 496.612 2.390 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1589482209 HMSKQOFFFLJBGN-RBBKRZOGSA-N 484.649 2.070 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)CC)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1589492970 FDTREAHNWHREOE-BJLQDIEVSA-N 478.619 2.413 30 10 JEEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(CC(F)F)CC1 1593711979 NSSXWJNYWYOSOR-UHFFFAOYSA-N 469.558 2.328 30 10 JEEE C=CC[C@@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](C(=O)NC)C1)c1ccccc1 1594552088 GYTGQWBFFJCBEO-KJJMTIBFSA-N 469.586 2.313 30 10 JEEE C=CCCOCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1594813793 YVHMHXCMRJUHOA-FQEVSTJZSA-N 454.575 2.190 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CC1CCS(=O)(=O)CC1 1596812994 CTRVSCPHBBPTHM-AWEZNQCLSA-N 455.544 2.015 30 10 JEEE CC(C)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2CCS(=O)(=O)CC2)[C@H](C)C1=O 1607485405 GPDSMRBGSILCOW-GOSISDBHSA-N 484.626 2.335 30 10 JEEE CN(CCS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1C[C@@](C)(O)c1cccs1 1618358172 DKERRTSCXIYKPW-OAQYLSRUSA-N 475.596 2.179 30 10 JEEE C=CCN(C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)[C@@H]1CCS(=O)(=O)C1 1628190270 GOUAFHBIIJSCHO-CQSZACIVSA-N 456.571 2.151 30 10 JEEE N#Cc1ccc(N2C[C@H](C(=O)N3CCN(C(=O)c4cccc(O)c4)CC3)CC2=O)cc1Cl 1631600591 CKAMRYYPPABMSD-QGZVFWFLSA-N 452.898 2.255 30 10 JEEE C#CCOc1ccc(CNC(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 1640953887 URLRMBKUHFUHIL-UHFFFAOYSA-N 458.536 2.235 30 10 JEEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccccc2Oc2cc(F)cc(F)c2)CC1 1669843828 IIMBDXHAYYBUBV-UHFFFAOYSA-N 450.467 2.374 30 10 JEEE C=CCS(=O)(=O)CCNC(=O)N[C@@H](CO)c1ccc(Br)cc1C(F)(F)F 1680686465 YHPVGPPIVIFCAD-ZDUSSCGKSA-N 459.284 2.401 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cn2cc(Cl)cc(Cl)c2n1 1689826969 XQOBCDKLQJGZKA-RYUDHWBXSA-N 470.386 2.349 30 10 JEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)OCc2ccccc2)CC1 1689875227 NIUZIKSMHIWMTD-IBGZPJMESA-N 488.614 2.151 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2cccc(F)c2[C@H]1C 1689930248 NNMROGMXSDTGKO-VQIMIIECSA-N 461.563 2.287 30 10 JEEE C#CCN(c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCC)[C@@H]1CCS(=O)(=O)C1 1689988116 JMOOHIIZIUJJSS-QGZVFWFLSA-N 468.583 2.102 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(-c3ccccc3)on2)n1CCS(=O)(=O)NC(C)C 1690043423 AOQKZKXBMSOAER-UHFFFAOYSA-N 466.567 2.391 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@](C)(O)c2cc(C)oc2C)CC1 1690154648 VOOFAYUFBCTULS-YKSBVNFPSA-N 455.559 2.213 30 10 JEEE C#CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](CC(N)=O)C1 1690174653 HMQOJVIQCBJTHX-QZTJIDSGSA-N 492.646 2.045 30 10 JEEE C#CCSCCn1c(N2Cc3c(OC)ccc(OC)c3[C@@H](O)C2)nnc1[C@]1(OCC)CCOC1 1690186672 TZUFABJIECIUMT-UUOWRZLLSA-N 488.610 2.367 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccccc1F 1690266066 ZQNLBQZJRMFOTF-LJQANCHMSA-N 451.568 2.395 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCn1ccnn1 1690596935 DXDCCPXYDSTIFS-SFHVURJKSA-N 458.567 2.447 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N(C)[C@@H](C)c1cccc(N2CCOC2=O)c1 1690671527 XYLDQXJMPRCAAW-WMZOPIPTSA-N 454.531 2.238 30 10 JEEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCCC[C@H](C)C1 1690729490 OBGLQEJLHKQNDF-INIZCTEOSA-N 451.618 2.497 30 10 JEEE CNS(=O)(=O)c1cccc(Cn2c(Cc3ccccn3)nnc2N2CCC[C@](C)(C#N)C2)c1 1697018920 CXPQYBNRYLBAQH-HSZRJFAPSA-N 465.583 2.350 30 10 JEEE COCCN(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1698023817 CYPFSTAMTRGNFN-CYFREDJKSA-N 454.575 2.169 30 10 JEEE CSc1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(CC(=O)N(C)C)CC2)ccn1 1698371908 BAMHKBXZWHEVQN-UHFFFAOYSA-N 476.610 2.192 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CC2(C(=O)N(C)C)CCCC2)c1 1705506033 YCWLQUJQYIWRFB-UHFFFAOYSA-N 488.596 2.383 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@]1(N(C)C)CCSC1 1705624602 IAFYMQWJMYFSTD-QHCPKHFHSA-N 457.600 2.240 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2CCc2ccc(OCCN(C)C)cc2)CC1 1705639934 ZJYFCHWTNVELGI-DEOSSOPVSA-N 466.630 2.458 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](C)Cc2cccs2)CC1 1705647835 MLIFJZBGVNSZJL-VQIMIIECSA-N 454.600 2.135 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccccc2COC)CC1 1705648701 WVGCYPWCIFDXRE-QFIPXVFZSA-N 451.571 2.333 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2CCN(C)C(C)C)CC1 1705651332 SKTPIJORHBTQGV-UHFFFAOYSA-N 456.566 2.302 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C2CCCC2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1705699540 IKVOLLYMYPAPMI-PMACEKPBSA-N 458.607 2.090 30 10 JEEE C=C(C)Cn1c(N2CCN(c3ccc(C(N)=O)cn3)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705728237 COLOFKKJZUCHPY-KDURUIRLSA-N 496.616 2.445 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC(C(=O)c3ccc(F)cc3)CC2)nnc1[C@]1(OCC)CCOC1 1705908724 UUOZUGIGMDEHJJ-VWLOTQADSA-N 485.560 2.471 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCCN(Cc2noc(C)n2)CC1 1705910786 NEZRQUKFFJEQBP-UHFFFAOYSA-N 494.600 2.433 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Br)cc2)nnc1N1CCO[C@]2(CCOC2)C1 1705931055 CWMBDBWRQMZMRQ-HXUWFJFHSA-N 497.415 2.304 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1705932546 GJLHGBMRHHKWDG-FDDCHVKYSA-N 471.583 2.192 30 10 JEEE COCC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1712328967 FJMIBJGGKGUHAF-LQGLAIQGSA-N 485.585 2.291 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCNS(=O)(=O)CC 1722304417 ZJXWVDKNLGGOHO-IRXDYDNUSA-N 468.624 2.137 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@]1(C)CCO[C@@H]1C1CC1)[C@H]1CCS(=O)(=O)C1 1722358488 IEFBMHGAFDXKAK-ROKPMTFOSA-N 491.658 2.028 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1Cc1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1722358711 LEGQFICVZKSZIJ-FQEVSTJZSA-N 496.593 2.427 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCC(=O)NC1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1722360852 WNLZGGUQHDWBIG-JOCHJYFZSA-N 494.621 2.282 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1722363146 QWDDZMOKXLAJAV-HXUWFJFHSA-N 458.584 2.397 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1ccnc(SCC)c1)[C@@H]1CCS(=O)(=O)C1 1722365559 FOOUDVCGBNULEJ-RTBURBONSA-N 475.640 2.354 30 10 JEEE C#CCN(c1nnc(CC2CCCC2)n1C[C@]1(N(C)C)CCSC1)[C@@H]1CCS(=O)(=O)C1 1722370593 CUWWWRJNMOQOBN-DENIHFKCSA-N 465.689 2.075 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCCS1(=O)=O 1722387554 HQSBHTKAUILMOT-MOPGFXCFSA-N 475.615 2.390 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CCOC)[C@H](CC)C1 1722490806 DJMAZWBFONPVKC-SJBKTWHCSA-N 483.617 2.454 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](O)(c2ccc(C)cc2)C1 1722537370 NGZWVPQJFJALEN-XXBNENTESA-N 460.600 2.179 30 10 JEEE CCN1CCN([C@@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCc2cnccn2)CC1 1728601518 GMLDPQSUTUJALR-FQEVSTJZSA-N 459.602 2.312 30 10 JEEE CNC(=O)C(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1729616178 ATFHKMGJGBOWOW-UHFFFAOYSA-N 496.616 2.131 30 10 JEEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@@H]2CCCCO2)CCN1S(C)(=O)=O 1731153101 CZPBJIGWTQJZGU-ICSRJNTNSA-N 488.614 2.158 30 10 JEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1CCC(=O)N[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1740626331 UCSJQYAIGDICEU-YLJYHZDGSA-N 492.045 2.454 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCNC(=O)C(C)C 1740644557 LDDAVXARENYWBN-KDURUIRLSA-N 456.591 2.284 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(Br)cc3)n2Cc2cnn(C)c2)CC1 1740699899 XTNSFYXLPUDMHN-UHFFFAOYSA-N 470.375 2.157 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(OC)nc2)CC1 1740701484 JBKYJBJZMFXSOX-UHFFFAOYSA-N 465.945 2.411 30 10 JEEE C#CCSCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1740721734 RSQHGOBYZPUPPK-NRFANRHFSA-N 457.600 2.182 30 10 JEEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2csc(CC)n2)CC1 1740782521 UMEJGAADFJLIDA-INIZCTEOSA-N 450.634 2.097 30 10 JEEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 1740880325 FDFKMRSVRPULED-ZWKOTPCHSA-N 462.595 2.456 30 10 JEEE C=CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1740949325 RKBXXIZEEIXFRH-OAQYLSRUSA-N 475.615 2.291 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)Cc2ccccc2C)CC1 1740958084 ICCOMUKECBLFNR-NRFANRHFSA-N 466.586 2.022 30 10 JEEE CCNC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2nc(C)c(C)s2)CC1 1746516842 HJJNYYNWUOWUFI-UHFFFAOYSA-N 494.625 2.109 30 10 JEEE CN(c1nnc(-c2ccc(C#N)cc2)n1CC(=O)NCC(F)(F)F)[C@@H]1CCCN(c2cccnn2)C1 1747617184 BNMDQBMPTHLCGB-GOSISDBHSA-N 499.501 2.390 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H](C)CN1CCN(CC)CC1 1748666417 AFYXEELMGJYOBN-RTBURBONSA-N 462.602 2.325 30 10 JEEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CC(F)(F)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1748804719 KGBGDMBKUORKDJ-SIKLNZKXSA-N 494.564 2.349 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@H](C)COC)[C@H]1CCS(=O)(=O)C1 1748805133 OVEDXBIFMCDTIJ-LNLFQRSKSA-N 464.563 2.466 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1cccc(C(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 1748811690 KFHGAROPRHNQEY-SFHVURJKSA-N 478.500 2.372 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@@H](OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1748824123 JMSNDXWLWNWJJV-AZUAARDMSA-N 462.547 2.048 30 10 JEEE C=C(C)COCCn1c(CCc2ccccc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1749235403 QJIRLLDQUIMIFH-UHFFFAOYSA-N 468.602 2.230 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1749655994 WNRQKKWRIORJFS-OAHLLOKOSA-N 482.507 2.337 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2CCN(CC)C2)C1 1749695932 MBOYGBZMKYWTMK-ICSRJNTNSA-N 459.616 2.472 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCNC(=O)[C@H]1CC 1749726175 YYCWORHANURNLF-CRAIPNDOSA-N 482.006 2.387 30 10 JEEE Cc1nc(C)c(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCO[C@H](C#N)C2)s1 1751758244 FQQZWXGSAMTQKO-MRXNPFEDSA-N 458.569 2.199 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1SCCc2ccccc21 1760118105 YBJRWAPEELVNMR-PWIZWCRZSA-N 475.640 2.100 30 10 JEEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1760144116 DSMTUOSTSHEQSL-NRFANRHFSA-N 498.031 2.018 30 10 JEEE C#CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1760144368 NAJYFDDDLQKTCI-UHFFFAOYSA-N 477.613 2.305 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1760181280 RTDZNHUJUWTLSN-RDPSFJRHSA-N 488.610 2.002 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1ccc(F)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1760188699 CAXKNTGFBROCIY-GOSISDBHSA-N 457.506 2.217 30 10 JEEE C#CCN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCCN1CCC(O)CC1 1760224749 XUDMNJMSASTYEN-UHFFFAOYSA-N 458.994 2.168 30 10 JEEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2cccc(CN(CC)CC)c2)CC1 1760261325 OIZHGUUYSJJSRS-UHFFFAOYSA-N 463.630 2.046 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2Cc2c(C)nn(C)c2C)CC1 1760271461 YQKYNDHYCINTOF-UHFFFAOYSA-N 475.597 2.264 30 10 JEEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)Cc1cccs1 1760280211 DSBXAXOWDPLNHO-QGZVFWFLSA-N 469.658 2.065 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1760316440 RXRMSQNPAYXHCY-MHORFTMASA-N 496.659 2.212 30 10 JEEE C=CC[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)COC)CC1)c1ccccc1 1760419787 CALGFYGWKZPITQ-OAQYLSRUSA-N 466.586 2.055 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@]2(CCC(=O)N2)C1 1760518271 OKGQACFLRRNJBW-HXUWFJFHSA-N 477.338 2.008 30 10 JEEE C[C@H]1COCCN1CCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1763232285 CVSBUAVVLLHCRF-QFBILLFUSA-N 480.491 2.217 30 10 JEEE CC[C@H](C)[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1763396942 DUNDLBDYVCYGDL-RXFWQSSRSA-N 479.629 2.358 30 10 JEEE CCN(CC)[C@@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1764904239 GLDAHUDTBFWGPC-VQTJNVASSA-N 478.645 2.336 30 10 JEEE CCN(CC)C(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@](C)(O)c2ccco2)CC1 1766567287 HQXBJLFVKLOETC-AREMUKBSSA-N 491.596 2.308 30 10 JEEE COc1ccc(-n2cc(/C=N\NC(N)=S)c(-c3ccc4c(c3)N(C)C(=O)[C@@H](C)O4)n2)cc1OC 1857807405 GSENFYCCMRVUKX-YZVKNKPJSA-N 480.550 2.467 30 10 JEEE N#Cc1ccc(NC(=O)c2nc(C(=O)N3CCN(c4ncccn4)CC3)c3ccccn23)cc1 1858242415 ZQAUGXBXROAQIF-UHFFFAOYSA-N 452.478 2.211 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCNC(C)=O)[C@@H]2c2ccc(C(=O)O)cc2)cc1F 1862640465 PAUSRSFEZVQIHA-LJQANCHMSA-N 456.426 2.247 30 10 JEEE C=CCOc1ccccc1[C@H]1C(C(=O)NCCCN2CCOCC2)=C(N)Oc2c1c(CC)nn2C 1864323039 BCHYHQPOTNJKJL-OAQYLSRUSA-N 481.597 2.080 30 10 JEEE N#Cc1nnn(Cc2c(F)cccc2Cl)c1NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1870110800 JDFSMBYMLLWPNX-UHFFFAOYSA-N 483.803 2.133 30 10 JEEE N#Cc1cccnc1N1CCN(C(=O)C[C@@H]2CSc3nc4c(cnn4-c4ccccc4)c(=O)n32)CC1 1892309600 CTSNFIMVVFTJOY-LJQANCHMSA-N 498.572 2.235 30 10 JEEE CC1(C)O[C@@H]2CC(=O)OC[C@]23[C@@H]1C(=O)[C@@H](O)[C@@]1(C)[C@H]3CC[C@]2(C)[C@@H](c3ccoc3)OC(=O)[C@@H]3O[C@@]321 2085148411 YZMKFMIZNSOPSN-FJCIURCCSA-N 486.517 2.108 30 10 JEEE COC(=O)C1(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)CCN(C(=O)OC(C)(C)C)CC1 2177011768 UGKNEQYAVXHUQM-HXUWFJFHSA-N 470.570 2.413 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2180981682 WCJLBWINUQXYRH-RTBURBONSA-N 460.380 2.015 30 10 JEEE CC(C)(C)OC(=O)N1O[C@@H]2CCC[C@@H]2[C@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2180983008 ACOYGUBJFJMOQM-XHSDSOJGSA-N 460.340 2.434 30 10 JEEE Cn1cc(C(=O)N[C@]2(C)CCN(C(=O)OCc3ccccc3)C2)nc1B1OC(C)(C)C(C)(C)O1 2255816630 IRQZMFBTIKRMLX-XMMPIXPASA-N 468.363 2.250 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCO[C@H]1C(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)cs1 2256615646 WDFINJFHNZPTFW-JKSUJKDBSA-N 452.382 2.346 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H](NC(=O)C(F)(F)F)CC[C@H]1C 2267121962 FKMVUZLYEONSSL-ZYHUDNBSSA-N 461.315 2.422 30 10 JEEE CON(C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C1CCN(C(=O)OC(C)(C)C)CC1 2267140498 QZRQCKHEYXDTLE-UHFFFAOYSA-N 450.345 2.112 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(C)C[C@H](O)CN(C)C(=O)OC(C)(C)C 2267527917 OFEAPKPXOXVAMQ-AWEZNQCLSA-N 469.413 2.051 30 10 JEEE CC(C)(C)OC(=O)NCC[C@@H]1CN(C(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)CCO1 2267552828 JXGSXVNLPGWVEM-OAHLLOKOSA-N 450.341 2.335 30 10 JEEE CC1(C)OB(c2ccc(C(=O)N[C@H]3CCOC[C@@H]3NC(=O)OCc3ccccc3)nc2)OC1(C)C 2267594963 GFHBAFNQPIBUCF-FPOVZHCZSA-N 481.358 2.195 30 10 JEEE CC(C)(C)OC(=O)N1CC(O)(CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2Cl)C1 2267730384 ZCADOSGTLAOEDK-UHFFFAOYSA-N 466.771 2.351 30 10 JEEE Cn1cc(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)s2)c(CNC(=O)OC(C)(C)C)n1 2268653141 YTMDLIFUHYBUBR-UHFFFAOYSA-N 463.369 2.453 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](C(=O)N=c3nc(B4OC(C)(C)C(C)(C)O4)[nH]s3)[C@@H](C2)C1 2268677093 QHIFKMMMTWNYMC-IHRRRGAJSA-N 464.397 2.091 30 10 JEEE CC(C)(C)OC(=O)N[C@H](C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1)[C@@H]1CCCO1 2268698555 BMNOUAOUKGUYMN-GJZGRUSLSA-N 467.397 2.131 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](CNC(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)OCC12CC2 2281794757 KYFKYGRANYXSAI-AWEZNQCLSA-N 479.408 2.341 30 10 JEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CCCCC[C@H]2NC(=O)OC(C)(C)C)n1 2281951246 HINXASALAUBLIJ-LSDHHAIUSA-N 463.388 2.070 30 10 JEEE CCc1nn(C)c(C(=O)N2CC(CCNC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2281986627 RXCSGLARTBRAOM-UHFFFAOYSA-N 462.400 2.269 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2CCO[C@@]2(CNC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C1 2281995614 FKDJNBAOHCVIMA-PEBXRYMYSA-N 479.408 2.198 30 10 JEEE CC(C)(C)OC(=O)N1CC2(CC[C@@H](CNC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)sn3)O2)C1 2282004172 HUDPLDAOIPBYBI-AWEZNQCLSA-N 479.408 2.341 30 10 JEEE CC(C)(C)OC(=O)N1[C@H](CNC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)C[C@H]2COC[C@@H]21 2282014077 NQTWZTRBKFZVNH-KKUMJFAQSA-N 479.408 2.197 30 10 JEEE CC(C)(C)OC(=O)N1CC(N(C(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)[C@@H]2CCOC2)C1 2282014781 SJRNFMJUTQEJGE-CQSZACIVSA-N 479.408 2.293 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@H]1C[C@@H]2NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2282176276 RLOYDVZDZQAZNT-YQFWSFKMSA-N 458.368 2.197 30 10 JEEE C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282354447 QOIWDMKIXHJILS-HZPDHXFCSA-N 481.424 2.305 30 10 JEEE CO[C@@H]1CN(C(=O)c2ccc(F)cc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1NC(=O)OC(C)(C)C 2282410936 YPSRQZUXFFWJMA-ZWKOTPCHSA-N 464.343 2.489 30 10 JEEE CN(CCCCCNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C)Cc1ccccc1 2282423436 OMXNAGQKQNYJKN-UHFFFAOYSA-N 476.452 2.300 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@]2(NS(=O)(=O)Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2282505557 GAKAGOBOKBMCCN-HXOBKFHXSA-N 478.420 2.415 30 10 JEEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H](NC(=O)c3nccnc3B3OC(C)(C)C(C)(C)O3)[C@H]1CC2 2283055168 DVMTXRRQOKASNJ-ARFHVFGLSA-N 458.368 2.436 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)N1Cc2cccc(B3OC(C)(C)C(C)(C)O3)c2C1 2283942090 DXMJOPBYGHCLQT-IBGZPJMESA-N 458.364 2.464 30 10 JEEE C[C@H](c1nscc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)[C@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C 2283947530 BKMCPWRDYOFEIN-IIAWOOMASA-N 481.424 2.332 30 10 JEEE Cc1nc(NC(=O)[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)O2)ncc1B1OC(C)(C)C(C)(C)O1 2283955381 LMVKDTHNJMKZKR-GDBMZVCRSA-N 462.356 2.095 30 10 JEEE CC(C)(C)OC(=O)N1CC(CO)(C(=O)N2Cc3ccc(B4OC(C)(C)C(C)(C)O4)cc3C2)C1 2283965224 WEHIVFMDTVFVBX-UHFFFAOYSA-N 458.364 2.057 30 10 JEEE COc1ccc(N2C[C@H](c3nnc(SCC(N)=O)n3N=Cc3cc(C)ccc3O)CC2=O)cc1 2325880609 RSQGJYBUBLBEOY-MRXNPFEDSA-N 480.550 2.281 30 10 JEEE CC(C=Cc1ccccc1)=NNc1nc2c(c(=O)n(C)c(=O)n2C)n1C[C@H](O)COc1ccccc1 2327751650 GBYCJFDWFWSIPD-FQEVSTJZSA-N 488.548 2.375 30 10 JEEE COc1ccc(Cc2nnc(SCC(N)=O)n2N=Cc2cc(OC)c(O)c(OC)c2)cc1 2329260441 RWSLEODHLYHZLL-UHFFFAOYSA-N 457.512 2.060 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2CCC[C@@]2(NC(=O)OC(C)(C)C)C1 2362345108 ABVKVUREWTYKBE-IQMFZBJNSA-N 460.384 2.239 30 10 JEEE CN(CCC#N)C(=O)CS(=O)(=O)c1cc(I)ccc1Br 2363624050 GHEBCCSHZAJHQR-UHFFFAOYSA-N 471.114 2.199 30 10 JEEE CC(C)(C)OC(=O)NC[C@@]1(C)CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CC1(F)F 2379678558 AMPCKGSRLGJAPV-FQEVSTJZSA-N 470.326 2.331 30 10 JEEE CCOc1ccc(/C=N/Nc2nc(SCC(=O)Nc3ccc4c(c3)C(=O)NC4=O)n[nH]2)cc1 21077039 GFFBFGWWMZATMI-LSHDLFTRSA-N 465.495 2.264 30 10 JEEE O=S(=O)(N=C1NCN(Cc2ccc3c(c2)OCCCO3)CN1)c1ccc(Br)cc1 72460034 BKURIQMAMRLHPS-UHFFFAOYSA-N 481.372 2.265 30 10 JEEE Cc1nc(C)c(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc([N+](=O)[O-])cc2)s1 102484953 CRGVOEJXYIMQQG-VZCCSQPZSA-N 472.523 2.422 30 10 JEEE NS(=O)(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2c2ccccn2)cc1 170353385 JNHLXPNDVJAKTO-LJQANCHMSA-N 480.458 2.420 30 10 JEEE CCCOCCN1C(=O)[C@H]2[C@H](C1=O)[C@](Cc1ccccc1)(C(=O)O)N[C@H]2c1ccccc1C#N 253371999 DBUKPQCIILBBLZ-IMIIHFCZSA-N 461.518 2.296 30 10 JEEE CC[C@@H](C)NC(=O)CSc1nnc(N/N=C/c2ccc(OC)c(OCn3cccn3)c2)[nH]1 253570162 NGKYLGWKUDAFKY-VPNURPJOSA-N 458.548 2.499 30 10 JEEE C=C[C@]1(C)CC(=O)[C@]2(O)[C@](C)(O1)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1C(C)(C)CC[C@@H](O)[C@@]12C 257797263 ZSBZMJGJWOYRBW-RTTACRDPSA-N 452.544 2.091 30 10 JEEE biogenic C=CCN1C(=O)COc2ccc(C(=O)[C@@H](C)[S@](=O)CC(=O)Nc3cccc([N+](=O)[O-])c3)cc21 586348835 GPCBSNIAWRFGPR-LHRCYKKBSA-N 471.491 2.465 30 10 JEEE C=CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H]1C(=O)NC[C@H]1C(=O)O 757544631 OTYMBDXPYPWZPD-HJNYFJLDSA-N 477.517 2.175 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)O[C@H](C)C(=O)NCc3ccc(C(=O)OC)cc3)cc2C1=O 821755065 IYYXYHXHPYCSNK-CQSZACIVSA-N 450.447 2.117 30 10 JEEE C[C@@H](OC(=O)CNS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H](C)c1cc2ccccc2o1 853721657 HXNYZKUCZOBQQJ-HUUCEWRRSA-N 455.492 2.392 30 10 JEEE CNS(=O)(=O)c1ccc([C@H](C)NC(=O)COc2ccc(C#N)c(Br)c2)cc1 1143852676 HDBROOSPGURXES-LBPRGKRZSA-N 452.330 2.485 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1CC(F)(F)C1(OC)CCOCC1)[C@H]1CCS(=O)(=O)C1 1286395528 RSSFCEFIOYFYMX-KRWDZBQOSA-N 488.601 2.324 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccccn2)n1CCC[C@@H]1NC(=O)NC1=O 1286458614 ZROZPQNFRZSQLV-FQEVSTJZSA-N 461.501 2.031 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2Cl)n1CCC[C@@H]1NC(=O)NC1=O 1286463913 WLYRMRDNPYMHEV-INIZCTEOSA-N 465.341 2.326 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@@H]2COCCO2)CC1 1286487614 GXMOIEYDDHMPIX-LJQANCHMSA-N 488.386 2.089 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1(CS(C)(=O)=O)CC1 1286572996 DQRIWCJNGKCJSC-UHFFFAOYSA-N 480.660 2.465 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(=O)N(C)C 1286581676 SIKRQUOVGNAHIR-QGZVFWFLSA-N 450.584 2.467 30 10 JEEE C=C1CCN(c2nnc([C@@H](C)OCCOC)n2CCCN2C(=O)NC3(CCCC3)C2=O)CC1 1286637555 HKBRYRCSSLPYGI-GOSISDBHSA-N 460.579 2.413 30 10 JEEE C=CCCOCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCN(S(C)(=O)=O)CC1 1286708638 RMEIDEXCTAAIKK-UHFFFAOYSA-N 470.599 2.476 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1286759002 YCSRUNOOJMVNBT-IAGOWNOFSA-N 477.553 2.012 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1286780640 YADSVFKXRSWSNJ-UHFFFAOYSA-N 495.584 2.192 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(Nc2cccnn2)CC1 1286783100 GSTSJTVCVSSYEV-UHFFFAOYSA-N 453.938 2.167 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)cc1 1286794080 VTENCGISUPEKQD-HXUWFJFHSA-N 473.599 2.141 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3C)n2CCS(=O)(=O)N2CCSCC2)C1 1286806624 WGCQSKXFDNICHF-LJQANCHMSA-N 477.656 2.413 30 10 JEEE Cc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3c(C#N)c(C)nn3C)CC2)cc1 1289654764 ATMCCPBGZVPOEX-UHFFFAOYSA-N 461.574 2.013 30 10 JEEE CCN(CC)[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1295552912 CHJLWYCECYJWDZ-QGZVFWFLSA-N 459.620 2.065 30 10 JEEE CCN1CCN(C[C@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N(C)C[C@H]2CCN(C(C)=O)C2)CC1 1296183854 HFGFUSUEIYVTLF-XUZZJYLKSA-N 492.672 2.395 30 10 JEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1C[C@@]1(C)COCCO1)[C@@H]1CCS(=O)(=O)C1 1300483983 QDTDNJCZHLACHB-NQIIRXRSSA-N 464.975 2.031 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1ccnc(SC)c1)[C@@H]1CCS(=O)(=O)C1 1300490676 BHTVOSUXRNHRHJ-GOSISDBHSA-N 468.608 2.440 30 10 JEEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1CCCOC)[C@@H]1CCS(=O)(=O)C1 1300504310 LOXKVDPCEPHOPX-QGZVFWFLSA-N 452.964 2.174 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCN1CCN(C)C(C)(C)C1 1300650895 WPMMQPHESUBVSQ-UHFFFAOYSA-N 481.645 2.259 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(N2CCOCC2)CCSC1 1300665528 MITJMZAQRNTEAJ-XMMPIXPASA-N 466.611 2.111 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(N(C)C)c(F)c2)CC1 1300727191 VBNYOLPOHOGHHP-LJQANCHMSA-N 454.550 2.001 30 10 JEEE C=C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCCN(CC)S(C)(=O)=O)CC1 1301069773 DZSBTSYSVIVCED-NRFANRHFSA-N 455.625 2.147 30 10 JEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccc(Br)n2)CC1 1301106213 RLWCFCYLYSYPLJ-ZDUSSCGKSA-N 469.409 2.497 30 10 JEEE C=CC1CCN(c2nnc(CN3CCCC3=O)n2CCNC(=O)c2cccc(OC)c2)CC1 1301130009 KPQNLAAASOLPJK-UHFFFAOYSA-N 452.559 2.242 30 10 JEEE CC(C)CN1CCO[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N(C)Cc2cnn(C)c2)C1 1303203272 DKIZNDPHLHMWHU-QHCPKHFHSA-N 478.601 2.455 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(S(C)(=O)=O)CCCC1 1358884971 ACZRBTQDVSBGNO-MRXNPFEDSA-N 468.583 2.007 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2cccc(Cl)c2)C1 1358930606 YTUIDOYAEPWTBG-PMACEKPBSA-N 494.017 2.256 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCCCCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1358962336 OBAZCALFIXGZQO-RTWAWAEBSA-N 463.648 2.413 30 10 JEEE C#CCN(CC#CC)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@H]1CCCN1S(C)(=O)=O 1358996502 HUBCEDCNJXUFDL-HXUWFJFHSA-N 464.595 2.237 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1nc2cc(Cl)ccc2s1 1359019144 LIXRUGMFDPTFJX-CYBMUJFWSA-N 483.019 2.286 30 10 JEEE C#CCN1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2C[C@@H](OC)[C@@H](C)CC)CC1 1359034476 RWJXBAHQGILJDW-GHTZIAJQSA-N 463.586 2.008 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H]2CC[C@@](C)(CC)O2)CC1 1359042176 VSAPFNOXGCVGCL-AMDXRBSFSA-N 473.618 2.244 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2CCC(=O)N2CCCCC2)CC1 1359046636 ACFSZDZRQBCJMU-UHFFFAOYSA-N 492.624 2.268 30 10 JEEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(=O)C(C)C)CC1 1359051435 WKAKNJWEJPPRPF-UHFFFAOYSA-N 475.640 2.020 30 10 JEEE C=C(Br)Cn1c(C2CCC2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1359082408 HWWLBGZXNQWMKD-KSSFIOAISA-N 451.413 2.443 30 10 JEEE C=CCCOCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(C)=O)C[C@@H]1C 1359228209 WVSRPBPKQBWMDV-ICSRJNTNSA-N 492.621 2.236 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C)C1CC1 1359251847 XBVXEYWHJVAVQM-WMZOPIPTSA-N 498.650 2.021 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)N1CCOCC1 1359254298 LOUAIBACMUPBHA-HXUWFJFHSA-N 468.602 2.436 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1359291924 DWGPNWWNUYJRSY-RXVVDRJESA-N 483.548 2.270 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCC(CNC(C)=O)CC2)cc1 1359306834 RNUSADWUMSVHLQ-UHFFFAOYSA-N 466.586 2.480 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](CC)c2ccccc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1359328217 XGQCUAQVYJEISM-AQNXPRMDSA-N 457.600 2.136 30 10 JEEE CCC(CC)(Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@H](C#N)C1)OC 1496564161 GYOZHOXWHIULMU-LJQANCHMSA-N 454.579 2.386 30 10 JEEE COc1ccc(CCc2nnc(N3CCO[C@H](C#N)C3)n2CC2(S(C)(=O)=O)CCCC2)cc1 1504230021 AESGLLAOPZPRHQ-HXUWFJFHSA-N 473.599 2.158 30 10 JEEE C#CCCCCn1c([C@H]2CCCO2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1507571558 FVKAWIJKRFOQED-QGZVFWFLSA-N 464.617 2.209 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@H](c1cccs1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1507629567 ODKVSZHSOSPCLL-IEBWSBKVSA-N 472.640 2.275 30 10 JEEE C#CCN(CCOC)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@H]1CCS(=O)(=O)C1 1507702487 LLZMFYVQHYRNTP-DLBZAZTESA-N 450.536 2.078 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C)Sc2ccccc2)CC1 1507732879 YPXJVOOMDYGSRD-RTBURBONSA-N 459.641 2.116 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1508071047 ADPOXKGLERYUKQ-KRWDZBQOSA-N 486.573 2.368 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2C[C@H]2CCCN2CCCO)c1 1539043432 QNDSKOYOLYGVAV-JTHBVZDNSA-N 480.613 2.075 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1Cc1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 1539204035 YAZGUQKEDPTYNH-AZUAARDMSA-N 498.609 2.225 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cc(F)ccc1F)[C@@H]1CCS(=O)(=O)C1 1539206185 MZDUBPFNRHKFLT-XXBNENTESA-N 494.564 2.272 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1Cc1ccc(COC)cc1)[C@@H]1CCS(=O)(=O)C1 1539210706 FXWCSFAIOJHUEV-HXUWFJFHSA-N 453.568 2.105 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1Cc1cccnc1OC)[C@H]1CCS(=O)(=O)C1 1539229592 FCLALOGGMRQLMR-FQEVSTJZSA-N 481.578 2.244 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1C[C@]1(C)CN(C2CC2)C1=O 1539241647 HAUNWTSAHMXOGI-NRFANRHFSA-N 455.360 2.130 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC1(C(N)=O)CCOCC1 1539297010 XLQKGDPQXQXUCC-GOSISDBHSA-N 453.518 2.302 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCc2ccc(NC(C)=O)cc2)CC1 1539459899 RNFQYSYWJFKPCE-UHFFFAOYSA-N 491.621 2.226 30 10 JEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)c2ccccc2)CC1 1539497127 KKRHBKYGAGNAED-QGZVFWFLSA-N 475.640 2.354 30 10 JEEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@](C)(N2CCOCC2)C1 1539706986 ZHUYYTMDMFDLOT-CYFREDJKSA-N 476.622 2.464 30 10 JEEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1539985707 OCRPIBFNBQBHRO-SFHVURJKSA-N 486.642 2.104 30 10 JEEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@H](C)O[C@H](C)C1 1540870788 XCWVAQKZKVALIU-CALCHBBNSA-N 462.595 2.308 30 10 JEEE CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCCN2CCC[C@@H]2CO)[C@H](C)C1 1540982532 STDFYFUEJVHJNQ-AUSIDOKSSA-N 465.602 2.111 30 10 JEEE Cc1nc(CCn2c(COc3ccc(C#N)cc3)nnc2N(C)Cc2ncc(Cl)n2C)n[nH]1 1542943903 CVRHFRDPFTWCGX-UHFFFAOYSA-N 466.937 2.421 30 10 JEEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 1544477105 PQZMFIFQMXALLD-LJQANCHMSA-N 458.559 2.124 30 10 JEEE CC[C@@H](C)[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(NS(C)(=O)=O)CC1 1545251076 ARCMLQNZQFEXJL-OPAMFIHVSA-N 460.604 2.132 30 10 JEEE CCN(CCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@](F)(C#N)C1)S(C)(=O)=O 1547572370 ADYJGAJRKAVLJO-QGZVFWFLSA-N 488.387 2.149 30 10 JEEE CCN1CCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1547670031 BQZXPBZZCRIORE-SFHVURJKSA-N 468.581 2.238 30 10 JEEE CCOCC(=O)N1CCC2(CC1)CN(c1ccc(C#N)c(C(F)(F)F)c1)C[C@@H]2C(=O)NC 1548377537 OOKDAUYPDNWMIS-GOSISDBHSA-N 452.477 2.405 30 10 JEEE C#CCN1CCN(C(=O)c2ccccc2NS(=O)(=O)c2cc(C)c(C)c([N+](=O)[O-])c2)CC1 1557842501 UTEFFWPYBVNKOU-UHFFFAOYSA-N 456.524 2.403 30 10 JEEE C#CCSCCNC(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 1564114829 ZHBMHCVOMKRNSI-ROUUACIJSA-N 452.621 2.290 30 10 JEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCO[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)c1 1566256632 PNJCDPRYBDIMJC-VQIMIIECSA-N 450.557 2.238 30 10 JEEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 1587921532 ARORMNBJPKSMPH-DHLKQENFSA-N 453.587 2.291 30 10 JEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCn2ccnc2C1 1587989063 GHQKHQBCOAWAIM-ROUUACIJSA-N 455.563 2.115 30 10 JEEE C#CCN(c1nnc(C2(c3ccccc3)CCC2)n1CC[S@@](=O)CC)[C@H]1CCS(=O)(=O)C1 1588034738 LEMUSHQTUOUHLH-GEFUHLBYSA-N 474.652 2.143 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H](CC)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1588044869 CDTXSKJPQIBQNF-RTBURBONSA-N 488.614 2.270 30 10 JEEE C=C(Cl)C[C@@H](NC(=O)[C@H]1CC(=O)N(c2cc(OC)c(OC)c(OC)c2)C1)C(=O)OCC 1588121538 GIBZSDXVEXIUKT-DZGCQCFKSA-N 454.907 2.256 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)c1ccccc1Cl 1588229141 RJIBWZSJORRNGL-JTSKRJEESA-N 460.987 2.204 30 10 JEEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(=O)NCCc1ccccc1 1588229598 YUSLIKIAHPKUOT-UHFFFAOYSA-N 496.619 2.274 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCOCC1(C)C 1588550596 VMNRSSLUWDCIAO-HXUWFJFHSA-N 489.617 2.070 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC[S@](=O)CC 1588645914 FEBAPOLIULGSLV-HYHKQLJDSA-N 467.636 2.247 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@H]2COCCO2)CC1 1588899018 KOAGAGCMSJELHS-LJQANCHMSA-N 488.386 2.089 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(CC)cc1 1589216700 VLQAYWNVAMCIOH-XUZZJYLKSA-N 471.627 2.408 30 10 JEEE C=C(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1593691066 QMDJRMUYWRSWPS-IRXDYDNUSA-N 473.578 2.399 30 10 JEEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1593758076 TWKMBJLDNVKDRX-UHFFFAOYSA-N 461.574 2.097 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCOc2ccc(C)cc2)CC1 1594241475 RKHZXQYOYYDLEL-OAQYLSRUSA-N 475.615 2.401 30 10 JEEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(S(C)(=O)=O)CCC1 1594963555 USWXSWNPXRFHCX-MRXNPFEDSA-N 469.608 2.176 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(=C)Cl 1595099850 JSUJQAPRWFTPNF-LJQANCHMSA-N 476.990 2.428 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1595772958 KPJLNOCVBRHLBG-FQEVSTJZSA-N 484.626 2.406 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CC[C@H](c2ccc(OC)cc2)C1 1595784635 KDVWTDGUFJCXEW-SFHVURJKSA-N 456.572 2.282 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1595804956 JEDUURWZJHBZOC-HXUWFJFHSA-N 471.627 2.273 30 10 JEEE CCCO[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)CC1 1615037063 ALTPULQSDREYNB-OAQYLSRUSA-N 482.585 2.373 30 10 JEEE C=CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(C(=O)NCCN3CCCC3)cc2)c1 1617264978 FMDYOTNFPOQICK-UHFFFAOYSA-N 456.568 2.229 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2ccc[nH]2)n1C[C@H]1CCCN1S(C)(=O)=O 1619899559 BCUYIWVRAFAHGE-HXUWFJFHSA-N 483.598 2.222 30 10 JEEE Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(c4cnccc4C#N)CC3)CC2)cc1 1625326696 DURUQJORCROSNM-UHFFFAOYSA-N 453.568 2.011 30 10 JEEE C#CCCN1CCN(C(=O)c2nnn([C@H]3CCN(C(=O)OC(C)(C)C)C3)c2C(F)F)CC1 1626211793 BHWRQOKZIKYAQX-HNNXBMFYSA-N 452.506 2.179 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)N(C)[C@H]2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)ccc1F 1640746818 YVFSLNQAIBFNON-HWWDLCQESA-N 453.536 2.227 30 10 JEEE C#CCN(c1nnc(CCOc2ccccc2)n1Cc1ccc(N(C)C)nc1)[C@H]1CCS(=O)(=O)C1 1689993629 IRXLMEKXTUUVPR-NRFANRHFSA-N 494.621 2.036 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1689998604 QPZOXTDJBPCMFG-HSZRJFAPSA-N 489.624 2.163 30 10 JEEE C=C(Br)Cn1c(COc2ccccc2F)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1690233500 IIOZPUYTCSWCFM-UKRRQHHQSA-N 469.311 2.265 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c(-c2cccn2C)nnc1N1CCN2C(=O)NC[C@H]2C1)C(C)C 1690580676 CZWPJMNXKZXARS-FPOVZHCZSA-N 452.607 2.196 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCc1nccs1 1690672589 XBJSGOZFFVXESH-MRXNPFEDSA-N 491.618 2.024 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCCN(c2nccs2)CC1 1690722877 YYOFIVPBQRHPHP-UHFFFAOYSA-N 459.601 2.114 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H]1c1cccc(OC)c1 1690723007 DZMMWXZUEQHWID-RBUKOAKNSA-N 459.572 2.180 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1690726490 BUWFPYWAHOPQOT-BPQIPLTHSA-N 451.618 2.096 30 10 JEEE Cc1ccc(C)c(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2CCS(=O)(=O)NC(C)C)c1 1693031591 DRCDWZJQVCALHY-OAQYLSRUSA-N 464.567 2.244 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@H]1CCN(CC(F)(F)F)C1)[C@H]1CCS(=O)(=O)C1 1705562721 IGFBSDMVQQTABK-IRXDYDNUSA-N 485.532 2.357 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H](C)Oc1ccccc1OC)[C@H]1CCS(=O)(=O)C1 1705563943 IFPKFJMABAUQNT-MOPGFXCFSA-N 481.578 2.443 30 10 JEEE C#CCN(c1nnc(COc2ccccc2OC)n1CCc1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1705568072 GRKYVRIZPFZCNL-LJQANCHMSA-N 499.593 2.340 30 10 JEEE C=C(C)COCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCc2c(ccnc2O)C1 1705730232 DZONHEFKQIMXQJ-UHFFFAOYSA-N 498.609 2.451 30 10 JEEE C=CCCCn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1705810848 JLHBEQIZAPEGCB-NQIIRXRSSA-N 459.639 2.152 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](CC)NC(=O)OC(C)(C)C)C1CC1 1705853480 BNEKPMQGTQMOPQ-WMZOPIPTSA-N 498.650 2.069 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H]1c1ccc(OC)cc1 1705928578 RPQZXBBXWCFYPK-FQEVSTJZSA-N 473.599 2.465 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1705931307 MACADJVAJHTVRW-UZLBHIALSA-N 464.588 2.424 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]1c1ccc(CC)o1 1705936037 IKFUNSZJTACHDK-WMZOPIPTSA-N 482.628 2.278 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1C[C@H](C)O[C@@H](c2ccsc2)C1 1705936506 RVQLXUWQGAHBFI-LZLYRXPVSA-N 452.602 2.411 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1705937125 JNMNAYFGFMAGDW-AEFFLSMTSA-N 451.618 2.240 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CC(=O)N(C)C[C@@H]2C)nnc1C1(c2ccccc2)CCC1 1705939506 YNUHCUBTYFCOLK-SFHVURJKSA-N 457.600 2.016 30 10 JEEE CC[C@@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CCS(=O)(=O)CC1 1708585427 BCXONFLACBGPQZ-QGZVFWFLSA-N 461.588 2.151 30 10 JEEE N#CC1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCCn2ccnn2)CC1 1712881652 CMDQHSXBCSDLBY-UHFFFAOYSA-N 453.938 2.283 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 1722296518 QYYNNOZEFVPBKJ-AEFFLSMTSA-N 463.604 2.205 30 10 JEEE C#CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC(=O)N(C)[C@H](C)C1 1722316422 HYTQHHPBASGVHP-MSOLQXFVSA-N 460.579 2.057 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC1(N(C)C)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1722369381 YNEGEFOGXLEZNS-UXHICEINSA-N 463.648 2.411 30 10 JEEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1C[C@@H]1CCC[C@H]1OC)[C@@H]1CCS(=O)(=O)C1 1722370799 QPAVOQVOGHRUPB-NNMXDRDESA-N 488.610 2.308 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(F)c(C)c2)CC1 1722440180 ABUDDEAMTOBSMO-UHFFFAOYSA-N 475.528 2.387 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccc(SCC)c2)CC1 1722448073 QXPQVLAGRDBDSF-FQEVSTJZSA-N 466.611 2.355 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)ccc3C)n2CC[S@](=O)CC)CC1 1722449610 MTGWSWOYLQTOEV-MGBGTMOVSA-N 471.627 2.208 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C2CCN(c3ncccn3)CC2)n1CCCOCCOC 1722474050 KDVNJHLIKMXMIG-XMMPIXPASA-N 453.591 2.497 30 10 JEEE C=CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1722618458 RUQAJLDVLILDMC-UHFFFAOYSA-N 488.662 2.184 30 10 JEEE C=CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1CC1CCS(=O)(=O)CC1 1722679009 KSYDGAYJUUFJGN-UHFFFAOYSA-N 472.409 2.499 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1722705868 JJRHSJQLJJNZLR-KRWDZBQOSA-N 459.522 2.073 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2cccn(CC)c2=O)C1 1722710885 PQFYSJLFQVXJNS-RDPSFJRHSA-N 457.575 2.330 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccc3C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1722721748 LEFXUYIQGYOKCA-TWMRLEJJSA-N 462.554 2.485 30 10 JEEE C[C@@H](CN1CCOCC1)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](C(F)(F)F)C1 1723878375 GUCNLKGPIUGHFM-PXNSSMCTSA-N 494.518 2.465 30 10 JEEE CCCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@](C)(C#N)C2)cn1 1728217298 BJWSTZMMMBMTIO-KKSFZXQISA-N 461.592 2.250 30 10 JEEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1740589779 BKFSIOOJUOOTOC-SFTDATJTSA-N 499.616 2.410 30 10 JEEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCn1cc(Br)cn1 1740610348 XWYZFUOQDRJIJC-UHFFFAOYSA-N 470.379 2.181 30 10 JEEE C#CCN(C)c1nnc(Cc2c(F)cccc2F)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1740611711 PMAHKUUCPJUCLG-OXQOHEQNSA-N 463.554 2.421 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1CCSC(C)C)[C@@H]1CCS(=O)(=O)C1 1740619292 HIDWJPQHUCPQDR-GOSISDBHSA-N 476.624 2.485 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(Cl)s1 1740671412 GUEKNVVXGHDDQC-HNNXBMFYSA-N 458.009 2.028 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](C1CC1)N(C)C 1740686646 VMTBBJIAFHWVOQ-UXHICEINSA-N 476.622 2.013 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCCN2CCCC[C@@H]2C)CC1 1740693120 UPPCAWWYUDEKRG-DHLKQENFSA-N 458.651 2.338 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2Cc2ccc(OC)c(F)c2)CC1 1740704927 WRSJJJAWZOYTOM-UHFFFAOYSA-N 450.518 2.445 30 10 JEEE C=C1CCN(c2nnc(C(=O)N3CCCC3)n2CCOc2ccc(S(C)(=O)=O)cc2)CC1 1740817529 JBTMCYFUODOSBS-UHFFFAOYSA-N 459.572 2.153 30 10 JEEE C=CCNC(=O)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CC[C@@H](C)[C@H]1C 1740962698 LSZLNQJWVUZKQQ-NHCUHLMSSA-N 451.619 2.180 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1740965355 OEFPZPLSQXYEMI-OTWHNJEPSA-N 473.622 2.325 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCNC(=O)c2cccs2)C1 1740983145 BUWOOPGNULNPKC-SFHVURJKSA-N 455.588 2.413 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1740988971 VMIXELAYKLFQOE-QGZVFWFLSA-N 481.022 2.479 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccccc2Cl)CC1 1740991913 IEDMCSLEWSZOIR-QGZVFWFLSA-N 466.007 2.363 30 10 JEEE CCCN1CC[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@H](C(=O)OC)C2)C1 1745691761 HOBOFBQLGHKHAB-PMACEKPBSA-N 452.559 2.460 30 10 JEEE CCNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cnn(C)c2)CC1 1746481048 CMCHVZHDMJOAEF-UHFFFAOYSA-N 461.574 2.039 30 10 JEEE CN(Cc1ccc(C#N)cc1)c1nnc(C2CCN(c3ncccn3)CC2)n1CCS(C)(=O)=O 1747706495 FPEYOUIXVVHZOH-UHFFFAOYSA-N 480.598 2.005 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@]1(OC)CCOC1 1748844035 NBMXSEIRQAMOPH-YADARESESA-N 457.575 2.271 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2ccncc2)n1C[C@@H]1C[C@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1748852556 GXITYBUZQZAZKM-FKBYEOEOSA-N 476.581 2.361 30 10 JEEE C#CCN1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CCN(C)CCCC)CC1 1748977707 ACXYFBZWGYRNDY-UHFFFAOYSA-N 486.690 2.034 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1748978943 URFKOLHIEBOMMJ-QZTJIDSGSA-N 478.018 2.261 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2CCn2ccnc2C)CC1 1749019532 YEFBZVAIMVDJPA-UHFFFAOYSA-N 461.570 2.336 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1749659044 SIBYWYAOPPNDLH-GOSISDBHSA-N 484.402 2.495 30 10 JEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC(c2ccccc2)CC1 1749738258 KIMIQYRUIAVWBT-UHFFFAOYSA-N 457.600 2.385 30 10 JEEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CCc1cccc(C(=O)NC)c1 1760123101 YERXOQBJLNVFSL-INIZCTEOSA-N 450.568 2.330 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCN(C)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1760182467 GDCODNBZNVAIQN-HXUWFJFHSA-N 498.609 2.310 30 10 JEEE C#CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC(C)(C)OC)[C@H]1CCS(=O)(=O)C1 1760193478 ZZSUJJCJEOTHCJ-KSZLIROESA-N 495.646 2.101 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)N1CCc2ccccc2C1 1760218217 ATDBHFFRCCERCQ-REWPJTCUSA-N 465.623 2.090 30 10 JEEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H]2CCCCCC[C@@H]21 1760281483 NITAZYPATVKFBA-FHWLQOOXSA-N 467.661 2.136 30 10 JEEE C=CC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1760404632 DPCZHWNDKOEKHZ-HXUWFJFHSA-N 470.599 2.413 30 10 JEEE C=CCCCCn1c(-c2noc3c2COCC3)nnc1N1CCC(NS(=O)(=O)CC)CC1 1760425620 RKGVDEAMINHQEY-UHFFFAOYSA-N 464.592 2.270 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCN(C(=O)C(C)C)CC2)cc1 1760529965 MZPIEVPGOQJQFK-FQEVSTJZSA-N 452.559 2.147 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(C2CCC(C)CC2)CC1 1760555400 FHZIZZUZPTUNDG-KBWCOIMZSA-N 465.664 2.474 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@H](CCC)C1 1760556962 VJIVJBPFRSVWRO-LJQANCHMSA-N 458.588 2.123 30 10 JEEE C=CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1760566809 FFUUZBWEEOPWDL-SFHVURJKSA-N 470.578 2.459 30 10 JEEE C[C@H]1OCC[C@]12CN(c1nnc(-c3cccc(C#N)c3)n1CCS(=O)(=O)C(C)(C)C)CCO2 1763278990 HMZHHUKYUPARDO-HXOBKFHXSA-N 473.599 2.414 30 10 JEEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](CC(C)C)N(C)C)C1 1765671675 HNWJHXLGZHCPHA-LEWJYISDSA-N 473.647 2.311 30 10 JEEE CCN(CC)CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2CC2)CC1 1766652161 CQPGOXULNZTNRE-UHFFFAOYSA-N 451.575 2.129 30 10 JEEE COc1cc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2C[C@@H](C)O)cc(OC)c1O 1862761330 IQOATQJNDKIFDW-ZMZPIMSZSA-N 458.423 2.277 30 10 JEEE C=CCn1cc(OCC(=O)Nc2ccccc2C(C)C)c(=O)cc1CN1CCN(CCO)CC1 1870729240 VPBFFBOVYKKUOS-UHFFFAOYSA-N 468.598 2.285 30 10 JEEE CCN1CCN(CC#CCOC2CCN(S(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])CC2)CC1 1890625634 PMCDVZKYHWINCU-UHFFFAOYSA-N 485.006 2.059 30 10 JEEE CN(CC#CCNC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)Cc1ccccc1 1890710290 JHIHBIJWSCASFR-UHFFFAOYSA-N 457.571 2.478 30 10 JEEE C=CCNC(=O)[C@@H](C)[S@](=O)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1990671565 LVQGBJLFXOQFJD-OJXCSQPASA-N 470.547 2.418 30 10 JEEE CC(C)(C)OC(=O)NCCN(CCNC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(C#N)cc1N 2106722988 WKSOIKUIPCGTIW-UHFFFAOYSA-N 483.591 2.181 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(CNS(=O)(=O)CCN2C(=O)c3ccccc3C2=O)s1 2215982868 QVLLYCOONSSYOO-UHFFFAOYSA-N 490.412 2.071 30 10 JEEE CC1(C)OB(c2ccc(S(=O)(=O)NC3CN(C(=O)OCc4ccccc4)C3)s2)OC1(C)C 2243437751 BORYAPZUYUFSRS-UHFFFAOYSA-N 478.401 2.347 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CO)CNC(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2255640073 JASWKWRYXFODGO-CYBMUJFWSA-N 454.760 2.255 30 10 JEEE CO[C@@H]1CN(C(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1NC(=O)OC(C)(C)C 2255811997 VATHOWWBWLHLKO-JKSUJKDBSA-N 452.382 2.411 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H]1CNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2255950507 OUIYAIUKPKUBCR-ZIAGYGMSSA-N 472.438 2.486 30 10 JEEE CC(C)(C)OC(=O)NCC1(O)CN(C(=O)c2ccc(Cl)c(B3OC(C)(C)C(C)(C)O3)c2)C1 2266985766 ZMNKIDJOSHSPPX-UHFFFAOYSA-N 466.771 2.351 30 10 JEEE CN1CCN(C(=O)OC(C)(C)C)C[C@H]1CNC(=O)c1ccsc1B1OC(C)(C)C(C)(C)O1 2267166956 ZHVLUWZNTWMMPM-OAHLLOKOSA-N 465.425 2.328 30 10 JEEE CC(C)(C)OC(=O)NCCN1CCN(C(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)CC1 2267287010 SVFQARCDHHAPCE-UHFFFAOYSA-N 465.425 2.330 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCOC[C@H](NC(=O)OC(C)(C)C)C1 2267520485 NHVIIWDXAVIUJP-CQSZACIVSA-N 467.397 2.116 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](OCCNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)C1 2267551806 OFOAXQYUUWXGEE-HNNXBMFYSA-N 450.341 2.335 30 10 JEEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)[C@H]2C[C@@H]21 2267711989 AYRZOMJYZPEJMR-ROUUACIJSA-N 464.393 2.368 30 10 JEEE C[C@@H]1C[C@@H](NC(=O)C(F)(F)F)CN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2267730308 XWLVUWWPDUPYQH-VXGBXAGGSA-N 482.355 2.125 30 10 JEEE C[C@@H](NC(=O)[C@@H]1COCCN1C(=O)OC(C)(C)C)c1nscc1B1OC(C)(C)C(C)(C)O1 2268630925 QQJCANDMKBVFTP-HIFRSBDPSA-N 467.397 2.255 30 10 JEEE COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)O 2268633370 BXTCFFDWSHGTTD-DYVFJYSZSA-N 450.341 2.207 30 10 JEEE Cn1ncc(C(=O)NCCCCC2CN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2281825963 XIGMVHIKOBQWAG-UHFFFAOYSA-N 462.400 2.486 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@]2(C[C@H](NC(=O)c3coc(B4OC(C)(C)C(C)(C)O4)c3)CO2)C1 2281832870 TZEALUUZYOOCGN-HJPURHCSSA-N 462.352 2.477 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@@](F)(CNC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2282013407 JEHCUPRAWXDBMB-OAQYLSRUSA-N 485.387 2.148 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H]2CC[C@H]1N2C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2282024093 WGKUJDIRVDNPIV-DJIMGWMZSA-N 458.368 2.294 30 10 JEEE Cn1cc(C(=O)N2C[C@@H]3CC[C@@]3(CNC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2282043244 MGIRXTAAJATLLV-NPMXOYFQSA-N 460.384 2.096 30 10 JEEE COC(=O)[C@H](CCNC(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1)NC(=O)OC(C)(C)C 2282178503 NXHCTOLODABFSA-KRWDZBQOSA-N 462.352 2.172 30 10 JEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1CNS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282295831 RDABTDPZBBLXFJ-HOTGVXAUSA-N 481.424 2.162 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](NC(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2F)C1 2282414286 QOLCHTRHNBNBKS-DLBZAZTESA-N 464.343 2.225 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)c2c(F)cccc2B2OC(C)(C)C(C)(C)O2)CCO1 2282467433 KRMFNHGFVKOUIK-OAHLLOKOSA-N 464.343 2.491 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCCC[C@H](CNC(=O)OC(C)(C)C)C2)n1 2282552719 MHZAKFRGVHQNJF-MRXNPFEDSA-N 462.400 2.486 30 10 JEEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)C1 2282578237 OXZSWWVOQYCVFM-HZPDHXFCSA-N 462.400 2.485 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2COC[C@]2(C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)C1 2283915425 DMKDIYAVMSGREN-IQMFZBJNSA-N 459.352 2.203 30 10 JEEE Cc1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N(C)C[C@@H](O)CNC(=O)OC(C)(C)C 2285927311 YKHLSKQDIPONGA-HNNXBMFYSA-N 466.359 2.391 30 10 JEEE COc1ccc([C@H]2C(=C(O)c3ccc([N+](=O)[O-])cc3)C(=O)C(=O)N2CCOCCO)cc1OC 2296938558 SDECZCAXCXKPPP-FQEVSTJZSA-N 472.450 2.043 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CS(C)(=O)=O)C(=O)N1CC[C@H]2C[C@@]2(B2OC(C)(C)C(C)(C)O2)C1 2335399044 FPGGEHZMKCDZAP-PDSXEYIOSA-N 472.413 2.009 30 10 JEEE C[C@H]1C[C@@H](NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)CCN(C(=O)OC(C)(C)C)C1 2362352995 IDXQQFLRRFQVMF-HOTGVXAUSA-N 462.400 2.485 30 10 JEEE C=CCN1C(=O)N[C@H](c2ccc(C)cc2C)C2=C1CN(CC(=O)N1CCC(C(=O)OCC)CC1)C2=O 35971866 VGSOUEKWTOBUKW-XMMPIXPASA-N 494.592 2.454 30 10 JEEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)c1cc(S(N)(=O)=O)ccc1Cl 856257145 HBTYQJZXKCEJEC-CYBMUJFWSA-N 465.915 2.488 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)N3CCC(NC(=O)c4ccccc4C)CC3)cc2C1=O 918812298 KGACAOOQWGXSFV-UHFFFAOYSA-N 489.528 2.355 30 10 JEEE COc1ccc(NC(=O)CSc2nnc(NN=Cc3cc([N+](=O)[O-])ccc3O)n2N)c(C)c1 1083890474 NZDUTHSAWFDPCL-UHFFFAOYSA-N 472.487 2.100 30 10 JEEE COc1cccc(C(C)=NNc2nc(SCCC(=O)Nc3ccc(S(N)(=O)=O)cc3)n[nH]2)c1 1084210682 KFQMSOMODUPYNV-UHFFFAOYSA-N 489.583 2.418 30 10 JEEE C#CCNS(=O)(=O)c1ccc(C(=O)N(CCC(=O)OC)Cc2ccc(F)c(F)c2)cc1 1146749137 ZGQBCCMZFHDWJZ-UHFFFAOYSA-N 450.463 2.082 30 10 JEEE CC(=O)N1CCN(c2ccc(CNC(=O)C3CCN(c4oc(C)nc4C#N)CC3)cc2)CC1 1154271071 JGAIVTHEHXFWAI-UHFFFAOYSA-N 450.543 2.056 30 10 JEEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(I)c(C)n2)cc1 1159212748 FTTCHWWJSGWTQD-UHFFFAOYSA-N 455.277 2.158 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CCCNc2ccccn2)c1 1286307767 ANEORQDLSQKJTC-UHFFFAOYSA-N 486.580 2.468 30 10 JEEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC(C(=O)NCC#C)CC1 1286339425 LVGNOMFKLOJKRX-UHFFFAOYSA-N 465.554 2.350 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](c2ccccc2)C[C@@H]1C 1286349950 RDVYKHKSPVCHET-TYPHKJRUSA-N 457.600 2.407 30 10 JEEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1CC1(N2CCOCC2)CC(OCC)C1 1286362851 KEIMQOZVZVDYQL-UHFFFAOYSA-N 491.434 2.385 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1Cc1ccoc1)[C@H]1CCS(=O)(=O)C1 1286380829 DNZUFRCUWKEALL-SFHVURJKSA-N 486.550 2.239 30 10 JEEE C#CCN(c1nnc(CCOc2ccccc2)n1Cc1nccs1)[C@H]1CCS(=O)(=O)C1 1286394909 XXAHPPUPZKAWQU-KRWDZBQOSA-N 457.581 2.031 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H](CC)Oc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1286395641 SISIZJPPNCAYPD-GUDVDZBRSA-N 476.574 2.405 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(NC(=O)C2CCC2)c1 1286432161 ZJTFNLZSEJNTJF-OAQYLSRUSA-N 479.606 2.430 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(OC)ccc1OC(F)F 1286445658 AFZSBYROBFFCHP-AWEZNQCLSA-N 454.499 2.298 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H]2OCC[C@H]2C)CC1 1286486170 BQFHOGDBTNHSMB-VGOFRKELSA-N 467.570 2.353 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(OC)nc2OC)CC1 1286495262 YOJBSPSBZXEODA-UHFFFAOYSA-N 495.609 2.060 30 10 JEEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1286548143 MHOWGMLAYPRSCW-GDBMZVCRSA-N 464.368 2.436 30 10 JEEE C=C(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCC(F)F)c1ccccc1 1286617062 HSTUDOPQDGDDIG-KRWDZBQOSA-N 455.531 2.416 30 10 JEEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)c2ccccn2)CC1 1286714108 KPVOSFPIRYAWFS-UHFFFAOYSA-N 464.574 2.090 30 10 JEEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(Cl)c(F)c2N2CCOCC2)c1 1296908733 VZFZHVVQBRXYOY-UHFFFAOYSA-N 451.907 2.480 30 10 JEEE C#CCCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCNC(=O)[C@H]1CC 1300370784 CSNNALCNVZUDEQ-HSZRJFAPSA-N 463.630 2.161 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1CCc1ccc(NC(C)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1300483855 MPLBIWOTCHQEIK-HXUWFJFHSA-N 457.600 2.403 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1cccc(CN(C)CC)c1)[C@@H]1CCS(=O)(=O)C1 1300487156 GZOBXHGHALBZRS-OAQYLSRUSA-N 466.611 2.400 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1ccnc(SCC)c1)[C@@H]1CCS(=O)(=O)C1 1300502789 XOVBPLQMEDOVAR-HXUWFJFHSA-N 499.666 2.322 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2cccc(NC(=O)OC)c2)CC1 1300682855 SMRVYXXHTJFSQU-UHFFFAOYSA-N 467.574 2.178 30 10 JEEE C#CCN1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2C[C@@H](OC)C(C)(C)C)CC1 1300695544 DEAVDEHYYQFQSB-LJQANCHMSA-N 473.647 2.055 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCC2(O)CCC2)CC1 1300718967 JERKGOJUXJMCNZ-UHFFFAOYSA-N 467.570 2.233 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2cccc(C(OC)OC)c2)CC1 1300724706 CEVFPDJWGWWMCL-OAQYLSRUSA-N 467.570 2.088 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCCCCN2CCCCC2)CC1 1300727162 USOBNVLBCBDPGJ-QFIPXVFZSA-N 456.635 2.404 30 10 JEEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCC(CCCN2CCOCC2)CC1 1300754619 DEDNIJTVVYAVLE-UHFFFAOYSA-N 455.632 2.430 30 10 JEEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1300761868 NDSHCJADPYDNCG-FQEVSTJZSA-N 489.667 2.358 30 10 JEEE C=CCC(C)(C)Cn1c(N2CCN3C(=O)N(CC)C(=O)[C@@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1301158977 RJRZPFQIPPMUAH-MHECFPHRSA-N 474.606 2.394 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1301577831 OJLJJKLHBHVWJB-XLIONFOSSA-N 480.034 2.356 30 10 JEEE CN(C)C(=O)CCn1c(Cc2ccccn2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1314635514 BFSVBJAPDCLAEW-UHFFFAOYSA-N 462.533 2.080 30 10 JEEE COC(=O)N1CCC(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(S(C)(=O)=O)CC2)CC1 1315111688 HMCAPJFXBQAZPW-UHFFFAOYSA-N 486.598 2.309 30 10 JEEE CSC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(S(C)(=O)=O)CC2)CCC1 1316409474 CKIQTSYYUMKEMM-UHFFFAOYSA-N 476.628 2.096 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1CC1(N2CCCC2)CCOCC1)[C@H]1CCS(=O)(=O)C1 1358957211 REXZBIPOCBSXOE-UXHICEINSA-N 463.648 2.063 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCN(CCC)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1358963509 JLDQLHYQSNMIEM-RTBURBONSA-N 495.646 2.056 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Br)c3)n2CC[S@](=O)CC)CC1 1359041974 NPTQNTGZBSPTPK-SSEXGKCCSA-N 492.443 2.442 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2C[C@H]2CN(Cc3ccccc3)CCO2)CC1 1359045723 RDRZMALVRUSKFE-XMMPIXPASA-N 478.641 2.343 30 10 JEEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1359127805 ASBVSCKYBAKPML-DEOSSOPVSA-N 489.642 2.242 30 10 JEEE C=C(C)COCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC2(CC1)CNC(=O)C2 1359136681 RTBBRKOCUCVHCV-UHFFFAOYSA-N 450.543 2.428 30 10 JEEE C=C(C)COCCn1c(COc2ccc(C)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1359136711 SRKCQFMZXAGMPJ-HXUWFJFHSA-N 468.558 2.231 30 10 JEEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 1359341338 SYPMOVKVUBSBNR-OAHLLOKOSA-N 461.617 2.443 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CCCN1CCCC[C@H]1C 1360677746 GLVNPXVDQHQPOX-QZTJIDSGSA-N 451.641 2.283 30 10 JEEE CCOc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCC(=O)N2CCOCC2)cc1OC 1502804103 HPLPUVAIJRMAOV-HSZRJFAPSA-N 472.521 2.043 30 10 JEEE N#CCCN(CC1CC1)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(=O)NCC(F)(F)F 1505324649 FMTZDEPKTJAXOT-UHFFFAOYSA-N 498.535 2.047 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCc1c[nH]nc1C 1507522076 TVOWEJREVOCQBK-INIZCTEOSA-N 455.588 2.318 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@H]1CCCCC1(F)F)[C@H]1CCS(=O)(=O)C1 1507631394 OZSFFPZYDBZRIO-SJORKVTESA-N 452.531 2.131 30 10 JEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2cc(OC)c(C)cc2C1 1507746484 RGHAAJLDGQCLGM-MRXNPFEDSA-N 463.629 2.134 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(CCOC)C(=O)C1 1507804029 JJSQMCJEAJEEMS-SBUREZEXSA-N 475.540 2.423 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(C(C)=O)C[C@@H]1C 1508134400 DLTNSIKTQVCDJB-IRXDYDNUSA-N 479.578 2.215 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC=C(C)CC1 1508144117 BIFMBOLXKVJUNF-GOSISDBHSA-N 481.619 2.344 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1Cc1cc2c(cc1OC(F)F)OCO2 1510147737 CYBHPDHXNNNGSJ-NEPJUHHUSA-N 486.501 2.005 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2CCCN2CCN(CC)CC2)c1 1539040085 LTVXJOKBLLEWCD-UHFFFAOYSA-N 474.613 2.357 30 10 JEEE C#CCN(c1nnc(COc2ccccc2OC)n1C[C@H]1CCC=CO1)[C@@H]1CCS(=O)(=O)C1 1539230124 KGKDKXHJTMLFIX-RTBURBONSA-N 472.567 2.185 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1CC[C@](C)(O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1539230690 KASHTUDSDDCXSM-VIZSFHNOSA-N 458.584 2.054 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H](C)N1CCN(CC)CC1 1539263865 QDZOLENLQBQZFO-DHIUTWEWSA-N 497.688 2.491 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2cn(CCCC)nc2C)CC1 1539429700 BUUAHAYXZLOQJH-DEOSSOPVSA-N 455.607 2.039 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCCCc2nc(C)cs2)CC1 1539488602 MQUWJCUMXUXMDV-UHFFFAOYSA-N 483.642 2.154 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)c(COC)c1)C1CC1 1540110068 YTEUWCMPYDIKFA-FQEVSTJZSA-N 479.578 2.100 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2c(c1)CCCO2 1540171518 ZWJDDHKZSNDKAD-NRFANRHFSA-N 473.599 2.163 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2Cc2ncn(C)n2)C1 1540890293 CEXQIZAEBVNQDQ-QZTJIDSGSA-N 472.594 2.351 30 10 JEEE C[C@H](C#N)CN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccc(N(C)C)nc1 1541107210 GVFVSRZXLOYBJW-MRXNPFEDSA-N 453.572 2.454 30 10 JEEE CO[C@]1(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCC[C@@](C)(C#N)C2)CCOC1 1554713605 HWEYXLBTYLEZBY-VXKWHMMOSA-N 459.572 2.284 30 10 JEEE COCCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1555407619 AZRGSQVBLSVOFH-UHFFFAOYSA-N 466.590 2.170 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2N(C)CCCC2(C)C)c1 1587692877 LTGACQYMUFHCEE-LEWJYISDSA-N 477.613 2.406 30 10 JEEE C#CCN(c1nnc(COCC)n1Cc1ccc(N2CCC(C)CC2)nc1)[C@@H]1CCS(=O)(=O)C1 1588075126 YHGOUKCFSCEDQP-OAQYLSRUSA-N 486.642 2.121 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@H]1CCCS(=O)(=O)C1 1588124266 IFRJYGJCHMXQSB-IBGZPJMESA-N 492.605 2.134 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Br)c3)n2CCc2n[nH]c(C)n2)CC1 1588892062 WKWGWOHEHXTGLB-UHFFFAOYSA-N 497.401 2.343 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1 1595530096 SNXPUFNQCHFELX-INIZCTEOSA-N 472.594 2.110 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(c2ccccn2)CC1 1595595113 SGNADHZGGUZFDH-UHFFFAOYSA-N 451.506 2.020 30 10 JEEE C#C[C@]1(O)CC[C@@H]2[C@H]3CCC4=C/C(=N/OCC(=O)N[C@@H](CO)C(=O)O)CC[C@]4(C)[C@@H]3CC[C@@]21C 1614469833 LFHYHJHRXQUQHI-GEONGJOXSA-N 472.582 2.248 30 10 JEEE N#Cc1ccc(OCc2nnc(N3CCC(OCC(N)=O)CC3)n2CC[C@H]2CCCCO2)cc1 1620351825 GWCDFBCGIZNHDQ-LJQANCHMSA-N 468.558 2.159 30 10 JEEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)C1CN(C(=O)OC(C)(C)C)C1 1666115824 BVBQKKYAEUJMRD-UHFFFAOYSA-N 457.593 2.270 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1CCN(CCN(C)C)CC1 1689848093 OLRJLOOTMTWZLM-HXUWFJFHSA-N 490.656 2.406 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(SCC)c1 1689853357 ROZFZLJPBMPNFB-APWZRJJASA-N 463.629 2.229 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H](C)COC)[C@@H]1CCS(=O)(=O)C1 1689977918 HELINXLCWYRRRM-OXJNMPFZSA-N 473.599 2.056 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCCN(C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1689982232 JXLWEJBZYCJSEE-QGZVFWFLSA-N 497.463 2.393 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)o2)n1Cc1ccc(C(=O)NCC)cc1)[C@@H]1CCS(=O)(=O)C1 1689984811 VTIWJWMSFGWOOY-HXUWFJFHSA-N 481.578 2.271 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1Cc1ccc(-c2n[nH]c(C)n2)cc1)[C@@H]1CCS(=O)(=O)C1 1689993140 WMHNYACACCOFLC-HXUWFJFHSA-N 467.599 2.245 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CC(C)(C)COC)[C@@H]1CCS(=O)(=O)C1 1689995826 AWTGNBANWIVESO-GOSISDBHSA-N 464.563 2.296 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCC=CO1)[C@@H]1CCS(=O)(=O)C1 1689996417 IHRBWNLJHBQLJF-TZIWHRDSSA-N 467.551 2.048 30 10 JEEE C#CCN(c1nnc(COc2ccccc2OC)n1C[C@H]1CCCS1)[C@H]1CCS(=O)(=O)C1 1689997124 WHLKWDWWDVYKMC-ZWKOTPCHSA-N 476.624 2.388 30 10 JEEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCCN1CCOCC1 1690017807 MHMFRMGEVMDINP-UHFFFAOYSA-N 470.618 2.188 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCc1ccn(C)n1 1690100894 GWTGWKKLIAPCDA-UHFFFAOYSA-N 474.569 2.298 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCc2ncc(CC)s2)CC1 1690138146 SXEYFWCQDKGLNU-XMMPIXPASA-N 486.642 2.158 30 10 JEEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1690179090 MATTUXYUMCANPX-UHFFFAOYSA-N 477.594 2.172 30 10 JEEE C=C(Br)Cn1c(COc2ccc(C)cc2)nnc1N1CCN(CC(=O)NCC)CC1 1690232296 GONGJHJXIWIZPT-UHFFFAOYSA-N 477.407 2.332 30 10 JEEE C=CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1C[C@]1(O)CCO[C@H]1C 1690611089 ADVNKCZPSOIOTN-IFXJQAMLSA-N 454.369 2.225 30 10 JEEE C=CCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCC(CNS(C)(=O)=O)CC1 1690640927 TXUSSNDQDKQRMU-UHFFFAOYSA-N 485.614 2.017 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCN2C(=O)CC[C@H]2C1 1690665437 DFQLBLSSGIQVMV-FQEVSTJZSA-N 466.586 2.483 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(C(=O)NCc2ccc(C)c(F)c2)CC1 1690670400 AWCLQVYWKJTQOQ-OAQYLSRUSA-N 498.603 2.455 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCCC2(CC2)C1 1690717810 RISANVIKWSLJRP-UHFFFAOYSA-N 464.613 2.330 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@](C)(O)CCOC 1705490060 BLQCNKHNVCBANB-BXKMTCNYSA-N 452.559 2.310 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1ccc(F)c(F)c1)[C@H]1CCS(=O)(=O)C1 1705565402 ICKAEPZZPVSYIS-SJORKVTESA-N 450.511 2.125 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCCN2CCOC2=O)CC1 1705643150 UIPJDOXXSBZCHZ-UHFFFAOYSA-N 458.950 2.108 30 10 JEEE C#CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1705651567 BISJAVWHKOOOIU-LJQANCHMSA-N 487.029 2.429 30 10 JEEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 1705658164 GUKXKTQKTZAYAE-QGZVFWFLSA-N 454.556 2.116 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1705697380 UUDHMDALUBCTGE-UNMCSNQZSA-N 496.612 2.108 30 10 JEEE C=CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCS(=O)(=O)NC(C)C 1705841924 GQYNTBDYAYSMRK-UHFFFAOYSA-N 470.640 2.343 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCC(CC(N)=O)CC1 1705933661 OKZLOEYKWFFOPH-UHFFFAOYSA-N 451.980 2.291 30 10 JEEE Cc1cc(C)n(Cc2nnc(N3CCN(c4ccc(C#N)cc4F)CC3)n2CC(=O)NC(C)C)n1 1707831496 AYMZCDDMHLIKRD-UHFFFAOYSA-N 479.564 2.002 30 10 JEEE CC[C@H](C)NC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCCO2)CC1 1708635960 AKIGMGWCONQWSB-REWPJTCUSA-N 495.628 2.335 30 10 JEEE CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@H](c1ccco1)N(C)C 1710731017 CUTCDUYCIGLSDA-LJQANCHMSA-N 450.547 2.304 30 10 JEEE CS(=O)(=O)c1cccc(-c2nnc(N(CCC#N)CC3CC3)n2CC2(O)CCOCC2)c1 1712686145 HKRGHYDDRUTSAW-UHFFFAOYSA-N 459.572 2.020 30 10 JEEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1ccc(C)n(C)c1=O 1722300697 FTEPXFGPGBUDCI-NRFANRHFSA-N 473.625 2.156 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1nc(C(F)(F)F)cs1)[C@@H]1CCS(=O)(=O)C1 1722361753 OXXFYGXQDXXCCG-GFCCVEGCSA-N 470.502 2.424 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2CC2(NC(=O)OC(C)(C)C)COC2)CC1 1722444401 JGUMCFPEPAEBIN-QGZVFWFLSA-N 474.606 2.051 30 10 JEEE C=CCC(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1722590004 UAJVKDSXTPFDSI-HNNXBMFYSA-N 451.618 2.495 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCCC(F)(F)C1 1722680971 DWXIKWWKHDETKC-ZWKOTPCHSA-N 491.605 2.465 30 10 JEEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCSC2(CCOCC2)C1 1722683650 VAURKASMLZYLSP-UHFFFAOYSA-N 463.629 2.484 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)c1cc2ccccc2o1 1722698677 KEMGEYBERWUVES-DOTOQJQBSA-N 457.556 2.426 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1722700172 YVRLNVONGMBGAE-UHFFFAOYSA-N 471.606 2.314 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(OCC(F)(F)F)nc2)C1 1722712958 CDZTUZMOQVQOML-CVEARBPZSA-N 466.464 2.395 30 10 JEEE CNC(=O)[C@@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1CC(=O)N(C)C1CCCCC1 1729636340 CVDOUBOJMMJURX-SFHVURJKSA-N 481.601 2.338 30 10 JEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C2CCC2)CC1 1740582550 OUBFURPLNNTRSQ-UHFFFAOYSA-N 456.616 2.283 30 10 JEEE C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@@H]1CCOc2ccccc21)[C@H]1CCS(=O)(=O)C1 1740616755 GMGWWXNSPJZSQB-UFYCRDLUSA-N 488.610 2.195 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCC[C@@H]2C)n1 1740688821 KGWPOPSCWOBYLX-SLFFLAALSA-N 474.631 2.099 30 10 JEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(O)(Cc2ccc(F)cc2)CC1 1740716575 UOCSAVZNYVZTJP-IBGZPJMESA-N 457.575 2.309 30 10 JEEE C=C(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1740781252 XGSPZXJETSEOOJ-CABCVRRESA-N 454.622 2.072 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@]1(O)CCN(C)C1 1740914897 NBUZNDRTYKYLNS-FTJBHMTQSA-N 480.613 2.450 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(C(=O)CCC2CCCC2)CC1 1740961992 OPOCKNBFZHGHGU-UHFFFAOYSA-N 465.602 2.185 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC[C@H]2c2cnn(C)c2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740965817 SVALVALZNIKNRZ-UHOSZYNNSA-N 484.605 2.426 30 10 JEEE C=CCOc1ccc(Cn2c(N3CCS(=O)(=O)CC3)nnc2[C@]2(OC(C)C)CCOC2)cc1 1740968306 HOHGSUMCBXNGDU-QHCPKHFHSA-N 476.599 2.167 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCc2ccc(F)cc2C1 1740985578 JCXURANHQWHGLD-UHFFFAOYSA-N 470.530 2.228 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCO[C@](C)(CC)C1 1740993141 YUCONETYSBDXNS-SIKLNZKXSA-N 462.572 2.397 30 10 JEEE CC(C)C(=O)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC(F)(F)F)CC1 1741268334 FWHQYJXUDAJCTO-UHFFFAOYSA-N 477.491 2.190 30 10 JEEE Cc1nn(C)c(N2CCN(c3nnc(C(=O)Nc4ccccn4)n3CCC(C)C)CC2)c1C#N 1742668529 APXIDMQIGIEAPL-UHFFFAOYSA-N 462.562 2.212 30 10 JEEE CC[C@H](C)NC(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1743895103 HCBVFTDPSFAMHK-AZUAARDMSA-N 466.590 2.418 30 10 JEEE C#CCCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(NC(=O)COC)CC1 1748710270 LMAZYSXIJOFEFF-UHFFFAOYSA-N 463.542 2.129 30 10 JEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1748717634 FAIBPPWCTHCMOU-QGZVFWFLSA-N 451.593 2.041 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C/C=C\c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1748804064 COBMVJRFDLIMJZ-VBMBIBGFSA-N 470.595 2.270 30 10 JEEE C#CCN(c1nnc([C@@H]2COc3ccccc3O2)n1CCOCCC=C)[C@@H]1CCS(=O)(=O)C1 1748818360 ZEIPZCCOLGAZNZ-NQIIRXRSSA-N 472.567 2.010 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@](C)(O)CCC(C)C)[C@@H]1CCS(=O)(=O)C1 1748819028 IUEUINIWGUPFJJ-OFNKIYASSA-N 459.616 2.078 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1Cc1cccc(NC(=O)OC)c1)[C@@H]1CCS(=O)(=O)C1 1748821826 VPXQBZIQJDAEQM-LJQANCHMSA-N 457.556 2.084 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1CC(=O)N(CCOC)C1 1748833040 GVVODIMMGLEQTC-QGZVFWFLSA-N 470.371 2.275 30 10 JEEE COc1ccc(OCc2nnc(N3CC[C@](F)(C#N)C3)n2CC2CCS(=O)(=O)CC2)cc1 1748869398 DSFOBDPGPLFOID-NRFANRHFSA-N 463.535 2.132 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H](C)c1ccccc1 1748891641 BZKLLKIMLOLLGH-IFMALSPDSA-N 469.611 2.268 30 10 JEEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2CC[C@@H](C(F)F)N2CCOCC2)CC1 1748998875 CVNIXGBFPSTSCV-QFIPXVFZSA-N 488.583 2.277 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1749680726 OZTCNLYSOCRSNQ-QHCPKHFHSA-N 474.993 2.114 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@]2(O)CCO[C@H]2C)C1 1749697772 NIIQWPMHDNWFER-YYFZDKIDSA-N 466.380 2.367 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1749730982 XZNJVWIDTXJFKJ-UHFFFAOYSA-N 499.000 2.188 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 1749731360 CBUGEJCDAHOZKR-HXUWFJFHSA-N 489.646 2.361 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC(NC(=O)c2ccc(C)s2)CC1 1749734154 FLGPYIPJBPYOMB-KRWDZBQOSA-N 493.655 2.152 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCN1CCN(C(C)=O)CC1 1760233792 FMFSTJDWMQNMQM-NRFANRHFSA-N 487.649 2.016 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCCN(C)C2CCCCC2)CC1 1760269165 AROAMIFOINIIHU-NRFANRHFSA-N 456.635 2.402 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@H]2CCCN2Cc2ccccc2)CC1 1760273258 MWBIKWRFJPUAEN-HSZRJFAPSA-N 464.614 2.445 30 10 JEEE C=C(C)COCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC(C(=O)NC)CC1 1760350981 YOKJRWAMYGMDJD-UHFFFAOYSA-N 489.646 2.102 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCCCO2)n1C[C@@]1(O)CCS(=O)(=O)C1 1760499221 ROOKFBYKWPWBGN-REWPJTCUSA-N 460.600 2.304 30 10 JEEE CCC[C@H](C)C(=O)NCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccccc2C#N)CC1 1763756570 GROVMSVQVNYNQN-FQEVSTJZSA-N 492.628 2.265 30 10 JEEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@@H](C)CN1CCCCC1 1767941474 CTNSTCSLFFJXNC-VQTJNVASSA-N 467.622 2.313 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N(C)Cc1ccc(N2CCOCC2)cc1 1772566714 DZVUOGCKBQDLDK-OAQYLSRUSA-N 454.575 2.295 30 10 JEEE CC(C)(C)c1nnc(N2CCN(CC(=O)Nc3sc4c(c3C#N)CCCC4)CC2)nc1O 1859428365 WSGBWSPOBYEAHJ-UHFFFAOYSA-N 455.588 2.447 30 10 JEEE C=CCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2cccc([N+](=O)[O-])c2)[nH]1 1871518195 UNQQHNBMBYHVGA-UHFFFAOYSA-N 462.514 2.300 30 10 JEEE COC[C@@H](ONC(=O)OC(C)(C)C)C(=O)NCCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2180991212 KVAMULBLQPERKS-GOSISDBHSA-N 464.368 2.116 30 10 JEEE CC1(C)OB(c2cccnc2N2CCO[C@]3(CCCN(C(=O)C(F)(F)F)C3)C2)OC1(C)C 2241099200 GIJFMGCMJOYVNS-HXUWFJFHSA-N 455.286 2.141 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N[C@@]2(CO)CCCN(C(=O)OC(C)(C)C)C2)C1 2255153318 JQWRNOXJCMCPHQ-HESYMAFGSA-N 451.564 2.171 30 10 JEEE Cc1sc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)cc1B1OC(C)(C)C(C)(C)O1 2255608497 MHMPLOXOHKUCMO-HUUCEWRRSA-N 452.382 2.066 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)CCO1 2255750712 OKZBJBGTNRGGLJ-AWEZNQCLSA-N 474.410 2.267 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H]1CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2255753667 RRJZZXPXVIRIBY-KGLIPLIRSA-N 472.438 2.486 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccsc2B2OC(C)(C)C(C)(C)O2)C[C@@H](O)C1 2255809055 RROBTBLRGPIBEP-CQSZACIVSA-N 452.382 2.101 30 10 JEEE CON(C(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2255813294 SAHQKWCFVHOGHA-ZDUSSCGKSA-N 453.370 2.455 30 10 JEEE CC(C)(C)OC(=O)N1CC(CCO)(NC(=O)c2csc(B3OC(C)(C)C(C)(C)O3)c2)C1 2255856379 ZROSGEHGBDWXON-UHFFFAOYSA-N 452.382 2.149 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CCO)C(=O)Nc1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)n1 2256680501 XUAACOHIWTYAKR-CYBMUJFWSA-N 455.748 2.248 30 10 JEEE CN([C@H]1CC[C@@H]1OCc1ccccc1)S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2267465972 SMOHWYFWOIWVFF-OALUTQOASA-N 461.393 2.088 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H]1NS(=O)(=O)c1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2267468708 LYEVWUBWTAEWMK-DYVFJYSZSA-N 470.372 2.316 30 10 JEEE CC(C)(C)OC(=O)N1CCOCC[C@@H]1C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2269762684 URYUVMGNZBHHKN-OAHLLOKOSA-N 467.397 2.085 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CO1 2279448187 KSMLPHZUHFJLBM-ZBFHGGJFSA-N 462.356 2.034 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](NC(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CCO1 2282175217 VRSWNPHEXVUZNI-ROUUACIJSA-N 461.368 2.183 30 10 JEEE CN(C(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1)[C@@]1(CNC(=O)OC(C)(C)C)CCOC1 2282520743 VDJKQPHOZDQMRL-HSZRJFAPSA-N 461.368 2.137 30 10 JEEE Cn1nc(C(=O)N2C[C@H]3CCN(Cc4ccccc4)C[C@H]3C2)cc1B1OC(C)(C)C(C)(C)O1 2282596930 DOESOVGVXXETTQ-UXHICEINSA-N 450.392 2.313 30 10 JEEE CC(C)(C)OC(=O)NCCOCCCNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1O 2282823985 BFQNBZHPSYCTPC-UHFFFAOYSA-N 464.368 2.353 30 10 JEEE CCN(C(=O)OC(C)(C)C)[C@H]1COC[C@H]1C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2283961966 GOEKLARJZXVOCT-CVEARBPZSA-N 481.424 2.331 30 10 JEEE CC(=O)NCc1nnc(SCC(=O)Nc2cccc(C)c2)n1N=Cc1ccc(O)cc1O 2330733750 GFVASVDXKQVUMN-UHFFFAOYSA-N 454.512 2.247 30 10 JEEE CC(C)(C)OC(=O)N[C@]1(C)CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CC1(F)F 2336775166 AQDCJUCMDKRMJI-LJQANCHMSA-N 456.299 2.083 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H](C)C(C)(C)NC(=O)OC(C)(C)C)n1C 2337190327 MKVLZYMWHOHJCR-CYBMUJFWSA-N 450.389 2.449 30 10 JEEE COc1nc(O[C@@H]2COC[C@@H]2CNC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2339837957 GIKIOTBITOARCW-GOEBONIOSA-N 450.341 2.308 30 10 JEEE Cc1cc(CN2CCN(C)C[C@H]2CNC(=O)C(F)(F)F)cc(B2OC(C)(C)C(C)(C)O2)c1 2369724355 MFNLUQXFPAHNCD-GOSISDBHSA-N 455.330 2.089 30 10 JEEE C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)OCC(=O)N1CCC(c2ccccc2)=N1 18761051 ONCMJDQMEOJLAG-AREMUKBSSA-N 472.501 2.331 30 10 JEEE CN(C)c1ccc(/C=N/Nc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2N)cc1 20527640 JPJDEMRKOLWXKJ-SRZZPIQSSA-N 455.504 2.143 30 10 JEEE CCOc1cc(/C=N/Nc2nnc(SCC(=O)Nc3ccc4c(c3)OCCO4)n2N)ccc1O 21326569 VXAXQDXWNTYMSF-FOKLQQMPSA-N 485.526 2.044 30 10 JEEE C[C@@H](C(=O)Nc1ccccc1OC(F)F)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 31295091 BAMFYHRHEUKSPZ-HNNXBMFYSA-N 464.494 2.493 30 10 JEEE COCCN=c1scc(-c2ccc(O)c(C(N)=O)c2)n1N=Cc1cc(OC)c(OC)c(OC)c1 254384339 UMDPELHUDIYJAR-UHFFFAOYSA-N 486.550 2.476 30 10 JEEE CC(C)(O)CC[C@H](O)[C@](C)(O)[C@@H]1CC[C@]2(O)C3=C/C(=N/O)[C@@H]4C[C@H](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@@]12C 504242624 CBQFTGKSOCYQEV-IDMHAXEQSA-N 495.657 2.115 30 10 JEEE C=CCNC(=O)CN1CCN(C(=O)Cc2ccc(NC(=O)c3ccc(Br)o3)cc2)CC1 612082236 LQXDQHDIKYBDKU-UHFFFAOYSA-N 489.370 2.283 30 10 JEEE Cc1occc1C(=O)NC1CCN(C(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 727403088 VVVJJLNNXCBUHF-FQEVSTJZSA-N 486.594 2.462 30 10 JEEE COc1ccc(CCNC(=O)CSc2n[nH]c(NN=Cc3ccc(O)cc3)n2)cc1OC 1084556293 RIXOFIUZKQFFIC-UHFFFAOYSA-N 456.528 2.425 30 10 JEEE C#CCn1ccc(CN(CCOC)C(=O)c2sccc2S(=O)(=O)N2CCCCC2)n1 1128570279 LGOAHVUSRJKYAD-UHFFFAOYSA-N 450.586 2.041 30 10 JEEE C#CCN(CCOC)c1nnc(Cc2c[nH]c3ccccc23)n1CCN1CCN(C)C(C)(C)C1 1286469109 QYQFJSMVTOGFGL-UHFFFAOYSA-N 463.630 2.462 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H](C)CN2CCOCC2)CC1 1286484357 MMKQDWGDKZIFAU-HXUWFJFHSA-N 473.021 2.234 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)ccc3Br)n2CC2(O)CC2)CC1 1286488509 ZXNVFZYRGTUEJH-UHFFFAOYSA-N 488.386 2.207 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(Cl)cc1F 1286521549 ACZFIDNVDFPUFX-WIYYLYMNSA-N 481.981 2.444 30 10 JEEE C=CC[C@@H](Cn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)NCC)CC1)c1ccccc1 1286679648 SBTOVXZVRDACJX-FCHUYYIVSA-N 452.603 2.400 30 10 JEEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2OC)n1C[C@]1(O)CCS(=O)(=O)C1 1286763506 KSKRHSHKYDAONL-HSZRJFAPSA-N 472.567 2.331 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1286782876 BYDFFAVDMOHFTC-AVRWGWEMSA-N 485.585 2.429 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCCCS2(=O)=O)C1 1286813049 QQURVLAIPBVDEH-SJORKVTESA-N 479.628 2.018 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@H](COC)C1 1286820241 HVPBUVVGNVCOAP-SFHVURJKSA-N 497.662 2.466 30 10 JEEE CC(C)NS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1288271951 CJGMJICODAWZLB-LJQANCHMSA-N 488.614 2.029 30 10 JEEE Cc1ccccc1C1(Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@@H](C#N)C2)CCOCC1 1290092526 BVQMXXLDFNZEHY-IBGZPJMESA-N 452.559 2.202 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CCN2CCCC(C)(C)C2)c1 1300332448 GFHDCQLWBMUJBC-OAQYLSRUSA-N 477.613 2.407 30 10 JEEE C#CCN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC(C)C)[C@@H]1CCS(=O)(=O)C1 1300479688 RKSOYUSQMILMLV-GOSISDBHSA-N 463.991 2.144 30 10 JEEE C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@H]1C(F)(F)C12CCC2)[C@H]1CCS(=O)(=O)C1 1300481425 ABOXJVQNVQGFCN-YESZJQIVSA-N 472.558 2.064 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCC(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 1300485846 ZNCHJRCIGOZZDS-IEBWSBKVSA-N 491.589 2.099 30 10 JEEE C#CCN(c1nnc(C2CC2)n1C[C@@H](C)N(CC)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1300493894 WXLJDKJJOVJVDL-SJLPKXTDSA-N 465.620 2.428 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1ccccc1CN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1300495071 CKBNSPOBKKVAJM-HSZRJFAPSA-N 499.681 2.374 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1coc(-c2ccc(C)cc2)n1 1300630944 KAWBHWYVFYGHDC-HXUWFJFHSA-N 484.582 2.082 30 10 JEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](NC(=O)OC(C)(C)C)C(C)C)CC1 1300707283 XZAWODIYAKVAJK-OAQYLSRUSA-N 484.649 2.444 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCc2cccc(C(=O)N(C)C)c2)CC1 1300726878 SNEZVAMIHKJVPW-HSZRJFAPSA-N 492.624 2.082 30 10 JEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2ccccc2OC)CC1 1300972794 QAAXAAXWCNZMAQ-UHFFFAOYSA-N 468.602 2.438 30 10 JEEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1301207004 NHFHXZWZOYQXIA-JOCHJYFZSA-N 493.655 2.177 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC=CO1 1301339265 KOBBJZAMALAQPY-FGZHOGPDSA-N 498.609 2.368 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC(NC(=O)NC2CCCCC2)CC1 1301490615 BSOIEUWBDHDDKB-UHFFFAOYSA-N 466.590 2.243 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1301588105 VVWBKOOXEWUUEY-LJQANCHMSA-N 478.018 2.324 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](COc2ccccc2)C1 1301589757 WLPJGMJIDMHVDG-PZJWPPBQSA-N 476.599 2.057 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2ccccc2C)CC1 1358889925 IZMSLLIPKRRKKG-UYAOXDASSA-N 457.600 2.109 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@]2(O)CCSC2)c1 1358901138 ALSZRWUIWGXBJZ-DQEYMECFSA-N 499.637 2.243 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CCCCn2ccnc2C)c1 1358902486 PRRNFGNIUMVCOF-NRFANRHFSA-N 474.569 2.271 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H]1CCOC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1358955587 OZRFNQGNVVYWME-URVUXULASA-N 499.637 2.447 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@](C)(O)c1ccsc1)[C@@H]1CCS(=O)(=O)C1 1358963780 OAGDBLRPEFGUIF-UTKZUKDTSA-N 450.630 2.463 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@H]1CCN(CC)C1)[C@@H]1CCS(=O)(=O)C1 1358966036 GVHWRIYQYOFLBZ-LEWJYISDSA-N 471.627 2.134 30 10 JEEE C#CCN1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CCCOCC(C)C)CC1 1359034304 LGFJNQXAIUDCIY-UHFFFAOYSA-N 477.613 2.493 30 10 JEEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCC(CC(=O)N2CCN(CC)CC2)CC1 1359062307 CNEIDOCLHWADGU-OAQYLSRUSA-N 474.675 2.267 30 10 JEEE C=C(C)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1359123566 WJYMKGWPHVWJEM-UHFFFAOYSA-N 499.641 2.201 30 10 JEEE C=CCC(C)(C)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCNC(=O)CC1 1359184520 RIMKVDRHUPNLIT-UHFFFAOYSA-N 459.620 2.475 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[C@@H](OC)C1 1359295773 NHWFWSGSWVEBIB-CQSZACIVSA-N 450.337 2.244 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCCc2ccccc2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1359334524 IVJVNHZZRGBBPH-YKSBVNFPSA-N 474.627 2.438 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccnc(-n2cccn2)c1 1359476292 AZDWAFSIYUGFIH-INIZCTEOSA-N 461.555 2.494 30 10 JEEE O=C(NC[C@H](N1CCOCC1)C(F)(F)F)c1nnn(-c2ccccc2F)c1C(F)(F)F 1459865641 ADJYQWLAFLELPT-LBPRGKRZSA-N 455.334 2.418 30 10 JEEE C#CCN1CCCN(C(=O)c2nnn([C@H]3CCN(C(=O)OC(C)(C)C)C3)c2C(F)F)CC1 1465280103 JVARJJUCRXMSIH-HNNXBMFYSA-N 452.506 2.179 30 10 JEEE COCCN(CCC#N)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc2c(c1)OCCO2 1504883518 BJZXKCRVRXLOPS-UHFFFAOYSA-N 463.498 2.111 30 10 JEEE C#CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN2C(=O)NC[C@H]2C1 1507589951 AIQBIFSEUKJLOT-ROUUACIJSA-N 457.579 2.020 30 10 JEEE C#CCN(c1nnc(C2CCCC2)n1CCCN1C[C@H](C)O[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1507632237 JZIMKTCFJQWNPU-ZVDOUQERSA-N 463.648 2.062 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2CCCNC(=O)C(C)C)CC1 1507742985 URLLYUOWSGEGRW-UHFFFAOYSA-N 468.577 2.136 30 10 JEEE C#CCSCCn1c(Cc2ccccc2F)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1507756697 QFLOZSQAWUCZKO-FQEVSTJZSA-N 470.574 2.141 30 10 JEEE C=C(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1507829752 FDURZOFQSNMTJZ-INIZCTEOSA-N 456.572 2.264 30 10 JEEE C=CCN(CCOC)c1nnc(C(=O)NC(C)C)n1C[C@@H]1C[C@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1508036851 ROWNQSDQGQJDPE-GBESFXJTSA-N 492.621 2.080 30 10 JEEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@H](N2CCCCC2)C1 1508094867 JXOZTFINIZFSEE-NRFANRHFSA-N 452.603 2.439 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCS(=O)(=O)CC=C)C1 1508122790 GGQCHCCDFXRRFA-XLIONFOSSA-N 460.556 2.173 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1508133133 CQYBIKPJGZJKIL-UHFFFAOYSA-N 499.666 2.421 30 10 JEEE CC(=O)NC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)CN2CCCC2)CCO1 1508378813 AIQCCIOYOMBUGB-HSZRJFAPSA-N 495.628 2.192 30 10 JEEE CCOC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(OC)CCOC2)C1 1516056247 BXONDZWEHZMSFS-WMZHIEFXSA-N 454.531 2.337 30 10 JEEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCC(CC#N)CC3)n2CCc2cccs2)C1 1519562289 GKYOJMMMTSCLKG-SFHVURJKSA-N 464.617 2.045 30 10 JEEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(-c3ccco3)nn2-c2ccc(F)cc2F)C1=O 1531322817 NMPIYOXWHFKULH-UHFFFAOYSA-N 455.377 2.326 30 10 JEEE CN(CCCC(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1)S(=O)(=O)c1ccc(F)cc1 1531341162 DGGUMRAJWHKNGZ-UHFFFAOYSA-N 456.503 2.377 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCCO3)n2CCS(=O)(=O)CC2CC2)c1 1539043928 WYBIYUJZIXQKIX-OAQYLSRUSA-N 485.610 2.401 30 10 JEEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1C[C@H](OC)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1539225503 OJZXKJCNQJBZPZ-PMACEKPBSA-N 484.626 2.204 30 10 JEEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(C)(C)N1CCOCC1 1539345749 YGEYPBLNJBORTG-UHFFFAOYSA-N 473.647 2.117 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H]2CC(F)(F)CO2)CC1 1539434656 RWVGTDHFFJNNOB-HNNXBMFYSA-N 469.334 2.226 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)cn3C)n2CC2=CCCOC2)CC1 1539468780 ISQNPWHGISMHGG-UHFFFAOYSA-N 487.402 2.359 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@]2(O)CCO[C@H]2C)CC1 1539470373 NCGQNEKQJFBIMC-QMHKHESXSA-N 457.962 2.104 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2ccc(Cl)nc2C1 1539517064 HPGJANZOOYICDC-HNNXBMFYSA-N 452.005 2.158 30 10 JEEE C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)=C(C)C1 1539599499 GHUGEMMJNLJGRQ-OAHLLOKOSA-N 460.398 2.066 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)c2ccccc2)CC1 1539612835 QYWIFFQKNLNKKW-LEWJYISDSA-N 466.586 2.360 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)C(C)C)CC1 1539644936 PMSQINZVECOKHN-IFMALSPDSA-N 455.607 2.426 30 10 JEEE C=C(C)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CC[C@H](S(C)(=O)=O)C1 1539700069 MLSNZNGCIAPQCH-INIZCTEOSA-N 456.572 2.435 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]1c1ccc(OCC)cc1 1540871656 QFJQRKPZAFXCLQ-QUCCMNQESA-N 473.599 2.223 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N(C)Cc1ccc(N2CCOCC2)cc1 1540873293 TUWMNBGRNHUATB-UHFFFAOYSA-N 461.570 2.039 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(Br)cc3)n2C[C@@]2(O)CCN(C)C2)C1 1540895146 MFSPPVKZMLGULJ-DENIHFKCSA-N 492.418 2.468 30 10 JEEE C=C(C)CNC(=O)CCCC(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2OC)CC1 1567832111 MMQWSRWMGPUOQT-UHFFFAOYSA-N 457.980 2.044 30 10 JEEE C#CCCCCn1c(CCCc2ccccc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1587783158 LBJSCOBQFQVGNG-UHFFFAOYSA-N 462.598 2.184 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccc(-n2nc(C)cc2C)nc1)[C@H]1CCS(=O)(=O)C1 1588030257 RWGOSOKKQUVDLC-FQEVSTJZSA-N 481.626 2.448 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CCc1ccsc1)[C@@H]1CCS(=O)(=O)C1 1588030705 ZXOCNBQILRAWKB-GOSISDBHSA-N 463.629 2.127 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@]1(C)CCCO1)[C@H]1CCS(=O)(=O)C1 1588034436 FZZQACGCWXEJSM-FDDCHVKYSA-N 474.583 2.158 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1CCc1cc(C(F)(F)F)ccn1)[C@H]1CCS(=O)(=O)C1 1588055273 UQGPTJJUYAKMAD-YJBOKZPZSA-N 483.516 2.065 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccccc2Br)n1C[C@@H]1CC(=O)N(CCOC)C1 1588117370 DUGIMLQXRPRDRE-QGZVFWFLSA-N 470.371 2.275 30 10 JEEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1cccn(CC)c1=O 1588228846 MRGYDFMKSIMRGO-UHFFFAOYSA-N 470.581 2.145 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccc(F)cc2)nnc1N(C)CC(=O)N1CCOCC1 1589546169 PRZBDAVLVJKFEU-XXBNENTESA-N 457.550 2.284 30 10 JEEE C=CC1CCN(c2nnc(CN3CCCC3=O)n2CCS(=O)(=O)Cc2ccccc2)CC1 1594408845 PLBOAEMWOJPBLH-UHFFFAOYSA-N 457.600 2.418 30 10 JEEE C=CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(C)=O)C[C@@H]1C)c1ccccc1 1594536308 WARNQWFETXVUOL-WAOWUJCRSA-N 474.631 2.305 30 10 JEEE CCOC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)CC2CC2)C1 1616014729 HCTPVQFKOQVUBC-FQEVSTJZSA-N 486.598 2.356 30 10 JEEE CCOC(=O)c1ccc(OC)c(S(=O)(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1 1661361859 AUVGUHIZVXPQDE-GOSISDBHSA-N 457.508 2.217 30 10 JEEE CS(=O)(=O)CCOc1ccc(NC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 1671640823 CUVZULTZOXIXMA-FQEVSTJZSA-N 456.524 2.299 30 10 JEEE C[C@@H](NC(=O)N1CCN(c2ccc(C#N)nc2)CC1)c1cc(F)ccc1N1CCN(C)CC1 1678005875 BHRFHSMCAOGNOE-GOSISDBHSA-N 451.550 2.437 30 10 JEEE C#CCN1CCC[C@H](NC(=O)N2CCOc3c(Br)cc(C(=O)OC)cc3C2)C1 1684082977 MQKWEWGXVFNPAA-INIZCTEOSA-N 450.333 2.237 30 10 JEEE C#CCN1CCC[C@@H](NC(=O)N2CCOc3c(Br)cc(C(=O)OC)cc3C2)C1 1684082978 MQKWEWGXVFNPAA-MRXNPFEDSA-N 450.333 2.237 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CCN/C(O)=C1\N=CC=CC1=O 1689833481 KPMXVUHELUKBDN-FRTIYWTKSA-N 458.320 2.020 30 10 JEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2cc(F)ccc2OC)CC1 1689892463 GHPSRFWBOAOYIW-LJQANCHMSA-N 489.617 2.454 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@H]1CC(F)(F)CO1)[C@H]1CCS(=O)(=O)C1 1689983400 AVJGKCIESZUBBY-FUHWJXTLSA-N 466.510 2.005 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1C[C@@H]1NC(=O)CC1(C)C)[C@@H]1CCS(=O)(=O)C1 1689984137 LSLJNGIMGXHJRW-MSOLQXFVSA-N 476.002 2.140 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccccc1)N(CC)CC 1690019963 VSNCTKBODBAWDS-FGZHOGPDSA-N 453.612 2.336 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2CC2(NC(=O)OC(C)(C)C)COC2)CC1 1690125651 KXNJIUGNXPHBHV-UHFFFAOYSA-N 484.576 2.057 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1c(F)cccc1F 1690206067 GOVBFRNGTHJRDE-DENIHFKCSA-N 479.553 2.124 30 10 JEEE C=C(Br)Cn1c(COc2ccc(OC)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C 1690233380 FJWMOAIWBGTASM-AWEZNQCLSA-N 450.337 2.441 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1690245655 LESRSYWIYWFNPD-REWPJTCUSA-N 467.618 2.276 30 10 JEEE C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1CCN(Cc2cc(OC)cc(OC)c2)CC1 1690350897 AFYZDXMDLNNKOR-UHFFFAOYSA-N 474.993 2.492 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@H](C)S[C@H](C)C1 1690659343 QASBOBQKUCLGLR-GASCZTMLSA-N 463.007 2.494 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1690666902 KAOGHSKPPNCSFD-UHFFFAOYSA-N 481.022 2.151 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN(C)C(=O)OC(C)(C)C 1691003454 HDIYNLVBUUGSFZ-JKSUJKDBSA-N 454.597 2.033 30 10 JEEE CCS(=O)(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCCS2(=O)=O)CC1 1696454328 DEICDHJYZWAKRU-FQEVSTJZSA-N 491.639 2.188 30 10 JEEE COc1cccc(-c2nnc(N3CCN(c4ccc(C#N)cn4)CC3)n2CCC(=O)N(C)C)c1 1697521423 AMTGLGVGTJISNC-UHFFFAOYSA-N 460.542 2.025 30 10 JEEE COCc1nc(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)cs1 1697828798 CHKFVNLJURPCBC-QGZVFWFLSA-N 458.569 2.091 30 10 JEEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(CN2CCOCC2)CC1 1705507862 FTWFZDLPQQAUQO-UHFFFAOYSA-N 451.575 2.278 30 10 JEEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(C(C)(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 1705566969 SUSGASNFNGKABD-MSOLQXFVSA-N 477.537 2.016 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCNC(=O)c1cccs1 1705595585 XWOGMJXITUMJLU-UHFFFAOYSA-N 495.634 2.193 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(COc4ccccc4)o3)n2CCCS(C)(=O)=O)CC1 1705635707 HXDOHCANJAJORY-UHFFFAOYSA-N 483.594 2.307 30 10 JEEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1705658614 VJBAXDQFWJKZFA-UHFFFAOYSA-N 474.587 2.290 30 10 JEEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1705686949 PVQWMIPGGNMHPL-WBVHZDCISA-N 450.385 2.134 30 10 JEEE C=C(Br)Cn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1705688050 MLXMLUGSFNSKDK-UHFFFAOYSA-N 487.402 2.013 30 10 JEEE C=C(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1705723783 UYPJXILOHDJZTJ-FQEVSTJZSA-N 456.572 2.024 30 10 JEEE C=C(Cl)Cn1c(-c2cccc(C)n2)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 1705751979 DLDMHRODLVOOOZ-UHFFFAOYSA-N 469.011 2.278 30 10 JEEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1705794759 SLKXTKSGABYYMN-GOSISDBHSA-N 464.636 2.007 30 10 JEEE C=CCCOCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](C(=O)OC)C1 1705830608 TULMUIPRLNTCPZ-ZWKOTPCHSA-N 479.578 2.179 30 10 JEEE C=CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2[C@H](C1)[C@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1705887670 UHQNJFYHRRXNCI-GUDVDZBRSA-N 484.582 2.129 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1705905932 LXUNZONPLRSYGS-GOSISDBHSA-N 452.588 2.128 30 10 JEEE Cc1cc(C)nc(N2CCN(c3nnc(COc4ccc(C#N)cc4)n3C[C@H](C)N(C)C)CC2)n1 1707252348 BBRFOGRIAMQFRY-FQEVSTJZSA-N 475.601 2.412 30 10 JEEE COc1ccc(-c2nnc(N(C)[C@H](C)CC#N)n2CCN2CCCS2(=O)=O)cc1Br 1711727556 AVCSVUJQBFMWSQ-CQSZACIVSA-N 497.419 2.490 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1([S@](C)=O)CCC1 1722294881 IDUVCJXUWFOSNT-FROAJHJGSA-N 465.620 2.346 30 10 JEEE C#CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC2(CC1)COC(=O)N2 1722317865 XFCUNDGCTFJOSZ-GOSISDBHSA-N 488.589 2.469 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H](C)c1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1722359099 PXZHFAGLMGGANX-ICSRJNTNSA-N 457.600 2.155 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1722363450 FYUXBTXXFJGLOU-HQRMLTQVSA-N 495.001 2.114 30 10 JEEE C#CCN1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CC(C)(C)COCC)CC1 1722438161 NJJHASUMUYEQRP-UHFFFAOYSA-N 463.586 2.010 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Cl)n2CCC(=O)NCCC)CC1 1722444865 GWYUAPFDKCMVMF-UHFFFAOYSA-N 456.978 2.481 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1722453277 QSAIATKPWNOYKI-GOSISDBHSA-N 477.598 2.187 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1Cc1ccccc1S(=O)(=O)N(C)C 1722468789 PXTCOFVHPKZNPO-RPWUZVMVSA-N 487.626 2.221 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CCOCC)[C@H](CC)C1 1722508929 UVQJERMJDFSSJS-VMBXEPDQSA-N 460.623 2.148 30 10 JEEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 1722626740 GARRNQQYUUAYNO-RBUKOAKNSA-N 467.574 2.380 30 10 JEEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1722698453 ZICUFSWOVUKXOZ-QGZVFWFLSA-N 465.558 2.454 30 10 JEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 1722700575 MNMMSJNJHYUWQJ-GOSISDBHSA-N 494.625 2.495 30 10 JEEE C=CCOc1ccccc1Cn1c(-c2cnccn2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1722707277 LAVQSSBCGYVSPW-GOSISDBHSA-N 454.556 2.362 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@]2(N(C)C)CCSC2)C1 1722708809 DLXRUIHZRIHELE-VGOFRKELSA-N 457.604 2.144 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)Cc2cccs2)C1 1722718783 MYBRTFXSTMJIIB-NSHGMRRFSA-N 495.671 2.333 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC(C)=C(Br)C1 1722727591 MYEXHHQDBKQPJB-UHFFFAOYSA-N 453.366 2.215 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCS(=O)CC1 1722750743 OBIHIBKMXCUHGP-UHFFFAOYSA-N 468.670 2.445 30 10 JEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1740582747 QEYGJSSAPGXNQI-UHFFFAOYSA-N 495.653 2.435 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)o2)n1Cc1csc(COC)n1)[C@@H]1CCS(=O)(=O)C1 1740620274 UPXVMHNYVRKPFW-MRXNPFEDSA-N 461.569 2.124 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1cccnc1OCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1740621537 NEQIQDWFBXWILQ-MRXNPFEDSA-N 494.499 2.284 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1740625632 RQTHRAOCIYQBHU-WMZOPIPTSA-N 465.620 2.113 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1740645401 MFJOFFAZHGTGBF-LNRXMEIDSA-N 487.670 2.474 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(Br)cc3)n2C[C@H](C)N(C)C)CC1 1740699332 BWYQRHWXOWGJGV-KRWDZBQOSA-N 461.408 2.325 30 10 JEEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1740715009 QJKCKTTWCRKWPM-FQEVSTJZSA-N 469.659 2.173 30 10 JEEE C#CCSCCn1c(COc2ccc(Cl)cc2)nnc1N1CCN(C(=O)COC)CC1 1740721791 UCRAJEVOVAVSKF-UHFFFAOYSA-N 463.991 2.172 30 10 JEEE C=C(C)COCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(CCOC)[C@H](C)C1 1740792943 NIZJEWDKGGLTCY-GOSISDBHSA-N 467.574 2.344 30 10 JEEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1740795218 QBRMSXXFODMCKI-VXKWHMMOSA-N 468.602 2.113 30 10 JEEE C=CCCOCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1740888383 MIZZXBBSFQIVCH-JTSKRJEESA-N 461.588 2.247 30 10 JEEE C=CCN(c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(=O)NCC(F)(F)F)C1CC1 1740908228 PBIKKKBLGJILER-UHFFFAOYSA-N 486.520 2.029 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc3ccccc3o2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1740955197 YHTXPCISNMUZBU-HKUYNNGSSA-N 480.569 2.361 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2CCCN(C(C)=O)C2)C1 1740973784 DLAZTXVEJFUXLW-CTNGQTDRSA-N 487.626 2.388 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)cc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1740978604 ZFQMIHDRTHLNCQ-HVSLCEISSA-N 464.526 2.261 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1CC(=O)Nc1c(C)cccc1C)[C@@H]1CCS(=O)(=O)C1 1748811411 GNZRFXAKQRGXND-LJQANCHMSA-N 480.594 2.166 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1CCc1cc(F)cc(F)c1)[C@H]1CCS(=O)(=O)C1 1748812524 VKQFRFYPMLHHDM-IBGZPJMESA-N 459.522 2.431 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(Nc2cc(OCC)ncn2)CC1 1749097525 CFZHEXOQZQMNLS-HNNXBMFYSA-N 491.394 2.407 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(F)(F)F)CC1 1749115023 KLAYGQVELVKRPY-SJORKVTESA-N 456.513 2.180 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc([C@H](C)O)cc1 1749157978 BQNZFTDMWXEVBB-PXNSSMCTSA-N 463.604 2.115 30 10 JEEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(CCO)Cc1cc(Br)ccc1F 1749170204 HMUKJYJTOKNNMK-CYBMUJFWSA-N 490.399 2.365 30 10 JEEE C=C(C)Cn1c(COc2ccccc2OC)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1749204488 IBHBJOSFVASPGI-LJQANCHMSA-N 491.614 2.073 30 10 JEEE C=CC1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCNS(C)(=O)=O)CC1 1749352381 NVVXXAGJGUOBEO-CALCHBBNSA-N 468.624 2.000 30 10 JEEE C=CCN(CCOC)c1nnc(-c2cccn2C)n1CC(=O)N1CCN(c2ccccc2)CC1 1749596521 ZSKKMBLKDJJASJ-UHFFFAOYSA-N 463.586 2.271 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3ccccn3)n2CC2(NC(=O)OC(C)(C)C)COC2)C1 1749704011 UGWWQWHVXZKDBO-KRWDZBQOSA-N 456.547 2.415 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(SC)CCN(C)CC1 1760104576 AWNVBBMYUPKKQX-QGZVFWFLSA-N 451.604 2.206 30 10 JEEE C#CCCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1760141017 HFPUPEBRCIOWPH-DEOSSOPVSA-N 498.697 2.460 30 10 JEEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1760154114 AIQCFABJUTURDG-VQTJNVASSA-N 474.606 2.305 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H](CC)OC)[C@H]1CCS(=O)(=O)C1 1760183247 PMJGGIUADMDDEB-PMACEKPBSA-N 473.599 2.199 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1CC(C)(C)NC(=O)OC(C)(C)C 1760242734 MTJNUIXAQGTHFV-UHFFFAOYSA-N 471.562 2.315 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(OC)ccc2Br)n1C[C@H]1CCC(=O)N1 1760245345 ZZMCSHWGMSGGER-CQSZACIVSA-N 462.348 2.081 30 10 JEEE C#CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1760281903 RSHDBHKLQXRABK-VQIMIIECSA-N 462.597 2.170 30 10 JEEE C=C(Br)Cn1c(N2CC[C@H](N3CCN(CC)CC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1760314118 JPEUCGGWCXWUKF-SIKLNZKXSA-N 497.482 2.444 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1760314173 UHBGNOPPOSVLPD-ZWKOTPCHSA-N 475.663 2.401 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCCCO2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1760335537 NYURDQXJLRBXIB-IHPCNDPISA-N 467.636 2.361 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1ccsc1)N(C)C 1760337009 LQUBGOMZQLEZMC-MOPGFXCFSA-N 482.676 2.378 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1760342660 JCEFOCKKBVMCNW-UHFFFAOYSA-N 492.609 2.365 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1760548279 CHWWKYGVZUTRQR-IRXDYDNUSA-N 495.577 2.435 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCCN(C(=O)C2CC2)CC1 1760552400 MHRVTNRXGVOKAB-UHFFFAOYSA-N 473.599 2.003 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(N2CCCC2=O)CC1 1760553243 PDIJUGKOKNDQGR-UHFFFAOYSA-N 468.583 2.009 30 10 JEEE CC(=O)N1CCCN([C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3C[C@H](C)N(C)C)C[C@@H]2C)CC1 1760601437 BKIWRCDBXBSGQP-MZLICYQSSA-N 478.645 2.146 30 10 JEEE Cc1ccc(SCCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)cc1 1761881845 DWUJHBINCMDBCY-WIYYLYMNSA-N 494.618 2.154 30 10 JEEE COc1ccc2nc(N3CCN(C(=O)CN4C(=O)c5ccccc5C4=O)CC3)c(C#N)cc2c1 1857959639 KLTVNMUYRNWFBM-UHFFFAOYSA-N 455.474 2.060 30 10 JEEE CCOc1ccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2CCNC(C)=O)cc1OC 1862565475 YHMLAFGXTOXZEE-OAQYLSRUSA-N 453.495 2.391 30 10 JEEE C=CCNC1=C(c2ccc(OC(C)C)cc2)C(=O)N(CCc2ccc(S(N)(=O)=O)cc2)C1=O 1863696136 JHYNUAPFZSUMRS-UHFFFAOYSA-N 469.563 2.219 30 10 JEEE C=CCOc1ccccc1[C@@H]1C(C(=O)NCCCCCC)=C(N)Oc2c1c(=O)n(C)c(=O)n2C 1865725550 FGDHKAYOZUJVPU-GOSISDBHSA-N 468.554 2.040 30 10 JEEE C=CCOc1ccccc1OCC(=O)N1CCN(C2=NS(=O)(=O)c3ccccc32)C[C@H]1C 1869927104 QHEVLBXZUFXAEM-QGZVFWFLSA-N 455.536 2.312 30 10 JEEE C[C@@H](O)Cn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CN1CCN(c2ccccn2)CC1 1870349634 VUXNFLZTLXEWSJ-HXUWFJFHSA-N 459.550 2.397 30 10 JEEE C=CCOc1cn(C[C@H](c2ccc(O)cc2)N(C)C)c(CN2CCN(C(C)=O)CC2)cc1=O 1870387887 XSCFQSVGLOHBPJ-HSZRJFAPSA-N 454.571 2.086 30 10 JEEE C=CCn1cc(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c(=O)cc1CN1CCN(C(=O)OCC)CC1 1870397843 VXMWXOTYKKIMFW-UHFFFAOYSA-N 499.524 2.234 30 10 JEEE CCOc1ccc(/C=N/n2c(SCC(N)=O)nnc2[C@@H]2CC(=O)N(C(C)(C)C)C2)cc1OC 1874273969 NQBMIUHYSBSKAU-SWKNLOBNSA-N 474.587 2.259 30 10 JEEE CC(C)(C)OC(=O)NC[C@H](Oc1c(I)cc(C#N)cc1[N+](=O)[O-])C(=O)O 1910562816 VRAYJRNYUWFOOI-NSHDSACASA-N 477.211 2.428 30 10 JEEE CC1(C)[C@@H](O)CC[C@]2(C)C3=C([C@H](O)C[C@@H]12)[C@]1(C)C(=O)C[C@H]([C@](C)(O)C[C@@H]2OC2=O)[C@@]1(C)CC3=O 2069566415 HNPBELHZISIXLS-SKGAKMNJSA-N 474.594 2.492 30 10 JEEE CO[C@H](C)[C@H](CC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2124538471 KDAJFJALGPNACA-HIFRSBDPSA-N 450.345 2.033 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2CCO[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)C1 2255196241 BHQCHJOTSUGZSP-NIWAKHBSSA-N 451.564 2.434 30 10 JEEE CC(C)(C)OC(=O)NCCCN(CCO)C(=O)c1csc(B2OC(C)(C)C(C)(C)O2)c1 2255711889 FZNDQAJBNSJCBN-UHFFFAOYSA-N 454.398 2.397 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCN(S(=O)(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2255751084 UWBHLFSYMIUEAZ-HNNXBMFYSA-N 452.382 2.274 30 10 JEEE C[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2256628951 OPKVGGSTIWRECF-XEZPLFJOSA-N 454.398 2.499 30 10 JEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2267361335 AEBKCFDOMPAVGS-HALDLXJZSA-N 484.449 2.499 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2[C@H](NS(=O)(=O)c3ccccc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2267372590 QJDGNBJDJTZTHI-HWWDLCQESA-N 464.393 2.129 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]1CNS(=O)(=O)Cc1ccccc1B1OC(C)(C)C(C)(C)O1 2267411884 FQXGJJCPHFUHIK-FUHWJXTLSA-N 466.409 2.318 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1CC[C@@H]1NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2267471081 DVGDFYYVGQYIHL-KGLIPLIRSA-N 487.453 2.165 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@H](CCNC(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267483012 MHPJTHCHUVFLEL-INIZCTEOSA-N 450.341 2.335 30 10 JEEE C[C@@H]1CCN(C(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)[C@H](C)[C@@H]1NC(=O)C(F)(F)F 2267538073 SXOFUOKSKGTCPU-NQBHXWOUSA-N 461.315 2.360 30 10 JEEE CS[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2267598089 YXGGYDLVXBOXKM-SJORKVTESA-N 463.409 2.462 30 10 JEEE CC(C)(C)OC(=O)N[C@]1(C(=O)NCc2ccc(B3OC(C)(C)C(C)(C)O3)s2)C[C@H](CO)C1 2268701263 DMVRDTSUVOMGOH-XLOAEROZSA-N 466.409 2.329 30 10 JEEE CC(C)(C)OC(=O)NCc1cc(C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)no1 2268721715 PDOJBGLQEHHISO-UHFFFAOYSA-N 464.353 2.385 30 10 JEEE CN(CCNC(=O)OC(C)(C)C)CC(=O)Nc1nc(B2OC(C)(C)C(C)(C)O2)ccc1Cl 2268722545 CDOSNSZZPWGZNZ-UHFFFAOYSA-N 468.791 2.429 30 10 JEEE Cc1c(B2OC(C)(C)C(C)(C)O2)csc1C(=O)N(C)CC1(O)CN(C(=O)OC(C)(C)C)C1 2271676926 CSBCBVQINVCMQB-UHFFFAOYSA-N 466.409 2.410 30 10 JEEE Cn1nc(C(=O)NCCC2CCN(C(=O)OC(C)(C)C)CC2)cc1B1OC(C)(C)C(C)(C)O1 2281968454 WVFIVDADKUPBPL-UHFFFAOYSA-N 462.400 2.486 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2Cl)[C@@H](O)C1 2281996521 POAIHXFGIULONS-HOTGVXAUSA-N 481.786 2.134 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(=O)O)N(C(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C1 2282003214 YNVONFNKRXEORG-JSGCOSHPSA-N 481.380 2.025 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC23CC3)n1 2282004761 LPMAVJWSCUHFQN-MRXNPFEDSA-N 460.384 2.332 30 10 JEEE CC1(C)OB(c2cc(C(=O)NC[C@@]34CN(Cc5ccccc5)C[C@H]3CCO4)ns2)OC1(C)C 2282005551 QDWQZYZQUHWKPJ-HOYKHHGWSA-N 469.416 2.463 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N=[S@@]1(=O)CC[C@H](CNC(=O)OC(C)(C)C)C1 2282192084 SIDKBFORVNURFU-RQOHWKINSA-N 481.424 2.477 30 10 JEEE Cn1nc(C(=O)N2C[C@@H]3CN(Cc4ccccc4)C[C@]3(C)C2)cc1B1OC(C)(C)C(C)(C)O1 2282606718 SCVYAGXISMCWBY-UQBPGWFLSA-N 450.392 2.313 30 10 JEEE Cn1nc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC(C)(C)C2)cc1B1OC(C)(C)C(C)(C)O1 2282613934 OHQCARQOXKRJOF-OAHLLOKOSA-N 462.400 2.485 30 10 JEEE CC1(C)OB(c2ccc(O)c(C(=O)N3[C@H]4CC[C@H]3CN(C(=O)C(F)(F)F)C4)c2)OC1(C)C 2282992628 WBAPXYDATKFHKQ-KBPBESRZSA-N 454.254 2.069 30 10 JEEE CC(C)(C)OC(=O)N(CCO)CC(=O)N1CCc2cc(B3OC(C)(C)C(C)(C)O3)ccc2C1 2283969760 RAOYHOMVZLQUKJ-UHFFFAOYSA-N 460.380 2.100 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1NC(=O)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 2284048086 LZCLSZGPBYPDFF-QHCPKHFHSA-N 462.352 2.305 30 10 JEEE Cc1c(C=C2SC(=S)N(CC(=O)O)C2=O)c(NCc2ccccc2)n(C)c(=O)c1C#N 2314523410 UKPZFUBYNGACRI-UHFFFAOYSA-N 454.533 2.463 30 10 JEEE CC[C@@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)N1CCN(CC=Cc2ccccc2)CC1 2330952344 VEPNWFPQVTTWFM-OAQYLSRUSA-N 452.580 2.361 30 10 JEEE CCN(C[C@@H](C)NC(=O)OC(C)(C)C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nc(C)n1C 2337398159 LXKBNTVWWQYTPT-CQSZACIVSA-N 450.389 2.403 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2C[C@H](C)CN(C(=O)OC(C)(C)C)C2)n1C 2362334184 WTLJMCIJBYSLIA-HOCLYGCPSA-N 462.400 2.403 30 10 JEEE COc1[nH]c(=NCC2(O)CCN(Cc3ccccc3)CC2)ccc1B1OC(C)(C)C(C)(C)O1 2365344924 VCFIAJNTEFGWNX-UHFFFAOYSA-N 453.392 2.250 30 10 JEEE CC[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)n1nnc(-c2ccc(Cl)cc2)n1 15759966 BVKCIFBQJFQALV-IBGZPJMESA-N 499.984 2.349 30 10 JEEE Cn1c(=O)[nH]c(=O)c2c1nc(N/N=C/c1ccc([N+](=O)[O-])cc1)n2Cc1ccc(Cl)cc1 33541753 HTOGUXHVCJCYID-LSHDLFTRSA-N 453.846 2.479 30 10 JEEE CCC/C(C)=N/Nc1nc(SCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)n[nH]1 59890332 POTMGWGQBQIIEW-HYARGMPZSA-N 481.604 2.144 30 10 JEEE COCCN1C(=O)C(=O)/C(=C(\O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@H]1c1cccc(OC)c1 110955362 NOSCJQKPCNBLAG-GOBJLOIFSA-N 474.535 2.014 30 10 JEEE COCCn1cc(C=NNc2nc(SCC(=O)N[C@H]3CCCc4ccccc43)n[nH]2)cn1 1084286625 XEKQWOYAUWPWJO-SFHVURJKSA-N 454.560 2.380 30 10 JEEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCN(c3cc(Cl)ccc3Cl)CC2)cc1 1164605170 DJBNPFGXEXRDGK-UHFFFAOYSA-N 453.351 2.492 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2ccsc2)c1 1286309257 PPMWIPDMYBLGKV-INIZCTEOSA-N 486.623 2.249 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCCN1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1286390021 VGXKQZGYTXHHIU-OAQYLSRUSA-N 470.643 2.397 30 10 JEEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@]1(O)CCO[C@@H]1C 1286412835 FEIFSJFUWNAKOW-HOYKHHGWSA-N 457.575 2.005 30 10 JEEE C=C(C)Cn1c(Cc2cn3ccccc3n2)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1286594438 RFACESUCOLDJDG-LJQANCHMSA-N 458.588 2.123 30 10 JEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccccc2F)C[C@H]1C 1286699677 HAEREVBCPCYTKL-WIYYLYMNSA-N 492.621 2.431 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)c2ccc(F)cc2)CC1 1286778591 HKKDXIQYCSHWMD-UHFFFAOYSA-N 468.533 2.055 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCO[C@@H](c2nccs2)C1 1286819696 SPKQLSSQCWUKDT-QGZVFWFLSA-N 460.585 2.284 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 1286819749 UVBAPHCZZYJJSM-UHFFFAOYSA-N 498.584 2.237 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCC(N3CCN(C(C)C)CC3)CC2)nnc1C(C)(C)C 1286824552 FCKRUNZHEMIKRF-UHFFFAOYSA-N 466.696 2.171 30 10 JEEE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C(C)C)N2CCOCC2)C1 1286844369 FUBQDVCOPXNFPN-ISKFKSNPSA-N 479.629 2.478 30 10 JEEE CCc1nc(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C(=O)COC)CC2)cs1 1292717455 FZCMMEMGDFPHPP-UHFFFAOYSA-N 495.609 2.285 30 10 JEEE CCOC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCOCC2)C1 1296410563 AJFIAXFXHUYQRW-LJQANCHMSA-N 454.531 2.073 30 10 JEEE COc1ccc(S(=O)(=O)NCC(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)cc1OC 1296986051 CYQSVSDGINOABZ-UHFFFAOYSA-N 459.402 2.391 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2CC[C@@H]2COCCO2)c1 1300335075 ZUIGWBWSTSJKPT-TZIWHRDSSA-N 453.543 2.034 30 10 JEEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H](c1ccc(C)o1)N1CCOCC1 1300431175 DWNWRYPTAWJQHN-GBXCKJPGSA-N 457.575 2.363 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1CCCC)[C@@H]1CCS(=O)(=O)C1 1300484158 RMOPMBWABWXHCF-OAHLLOKOSA-N 454.394 2.473 30 10 JEEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1300558733 ARTWNCPLKNFSQD-WATLYSKOSA-N 457.619 2.281 30 10 JEEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCc1nccnc1C 1300603485 SCBRWJIRTAIBLW-UHFFFAOYSA-N 452.588 2.347 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1cccc(C)c1)N1CCOCC1 1300630880 IPDXJIPSXJVHCI-FGZHOGPDSA-N 471.627 2.022 30 10 JEEE C#CCN(CCOC)c1nnc(CSc2ccc(Cl)cc2)n1CC1(O)CCS(=O)(=O)CC1 1300675970 XOXHCMQARWPXFN-UHFFFAOYSA-N 499.058 2.250 30 10 JEEE C#CCN1CCN(c2nnc(CSc3ccc(C)cc3)n2CCCc2cnn(C)n2)CC1 1300709744 DGUMSVTTYIEADA-UHFFFAOYSA-N 450.616 2.395 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@]2(C)COCCO2)CC1 1300718655 CWDIVJPJUSIDPH-QHCPKHFHSA-N 457.962 2.370 30 10 JEEE C#CCSCCn1c(COc2ccccc2OC)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1300776446 JUNSIMRKOPCPQN-QGZVFWFLSA-N 464.613 2.246 30 10 JEEE C=CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1)c1ccccc1 1301165138 ZRQPACPWBWJVIU-FYZZASKESA-N 486.642 2.305 30 10 JEEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 1301259783 RDPXOCDVRYZPML-ZWKOTPCHSA-N 462.595 2.343 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)C[C@H](C)c1nccs1 1301484449 GYTQGBMBFIUAGP-HNNXBMFYSA-N 474.612 2.347 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(F)(F)c2ccccc2)C1 1301538948 MIGDVWNZQYHSQB-NVXWUHKLSA-N 455.531 2.462 30 10 JEEE C[C@@]1(C#N)CCCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H]2COCCO2)C1 1303934206 CXVRGAHVAPJKDX-AVRDEDQJSA-N 458.950 2.407 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3OCC[C@H]3COC)n2CC2([S@](C)=O)CCC2)c1 1358904142 WLZNAOFVGWWEEC-LCMZLXKYSA-N 499.637 2.360 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1CC(C)(C)c1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1358961405 YIMGPGVOSCYDGW-LJQANCHMSA-N 468.558 2.479 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CC1(C)CCOCC1)[C@H]1CCS(=O)(=O)C1 1358968138 ZXNAMXGHSINFDV-IBGZPJMESA-N 476.574 2.440 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 1359030508 XLMKGZIZCXAFLI-WOJBJXKFSA-N 476.622 2.157 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C)c2ccc(F)cc2)CC1 1359045388 FSXJBSHMKXHDTB-YLJYHZDGSA-N 487.601 2.089 30 10 JEEE C=C(C)COCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1359126021 BQRPOQKEBDIQAL-HSZRJFAPSA-N 472.977 2.313 30 10 JEEE C=CCN(C)c1nnc(-c2noc3c2COCC3)n1CCOc1ccc(S(C)(=O)=O)cc1 1359238163 BHQUAPVTZUYQAC-UHFFFAOYSA-N 459.528 2.111 30 10 JEEE C=CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H]1CCOC[C@H]1OC 1359281266 UEMZLVQKQXZFDM-VQIMIIECSA-N 454.531 2.284 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CCN(c2cnn(C)c2)CC1 1359297213 IXICPNRFJPIFKT-UHFFFAOYSA-N 485.390 2.070 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2Cc2cccc(CS(C)(=O)=O)c2)C1 1359318622 IVIDXJAZSOOFQZ-FQEVSTJZSA-N 456.572 2.053 30 10 JEEE C#C[C@H](NC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O)c1ccc(Br)cc1 1460789984 SXCONYJRDRSALU-IBGZPJMESA-N 452.308 2.312 30 10 JEEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N2C[C@@H](CO)[C@@H](O)C2)ccc1Cl 1468867205 LNYYFAYNBPDBPM-LPHOPBHVSA-N 450.944 2.147 30 10 JEEE Cc1nc(S(=O)(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)sc1Br 1475260819 FGSQLXNEFNHQPY-ZDUSSCGKSA-N 455.359 2.165 30 10 JEEE COCC[C@@](C)(O)Cn1c(CCc2ccccc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1504757918 FODSWMPXBPULJD-AREMUKBSSA-N 492.628 2.091 30 10 JEEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)Cc2cccc(OC)c2)CC1 1507554607 VGBBPOUXDXAHCZ-UHFFFAOYSA-N 466.586 2.120 30 10 JEEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@H](C(=O)NCCC)C1 1507581977 BATIXNFGVJEKOW-SFHVURJKSA-N 471.631 2.394 30 10 JEEE C#CCCCn1c(CC)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)C2(CCS(=O)(=O)CC2)C1 1507590658 FHWAWTNSWFEUBL-QGZVFWFLSA-N 465.620 2.162 30 10 JEEE C#CCN(c1nnc(-c2ccc(OCC)c(OC)c2)n1Cc1ccc(C#N)o1)[C@@H]1CCS(=O)(=O)C1 1507628555 PDYHVPUIFVHYQA-GOSISDBHSA-N 495.561 2.492 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2OC)n1C[C@H](C)N1CCN(CC)CC1 1507665336 VVSFEZQOVKLDGE-NRFANRHFSA-N 464.614 2.451 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@]1(OC)CCOC1 1507710862 WQNUFABHYNWHMS-RUZDIDTESA-N 480.569 2.127 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H](C(CC)CC)N(C)C)CC1 1507718010 KRUIBVKWOTXXIL-HSZRJFAPSA-N 486.686 2.470 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2CCOCC2)CC1 1507734606 QEKQVUHZFDOHSV-UHFFFAOYSA-N 452.515 2.246 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(C)nc4ccccc34)n2CCOCCN(C)C)CC1 1507735861 IOXIEHBVPPCFGV-UHFFFAOYSA-N 489.624 2.346 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@@H](C)C1 1507800878 YZXSKNQANSVMBE-ZRNYENFQSA-N 467.636 2.219 30 10 JEEE C=CCC(C)(C)Cn1c([C@H](C)OCCOC)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1507915702 WYPLWMGTXRUVIT-IBGZPJMESA-N 464.611 2.179 30 10 JEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2cccc(OC)c2)C1 1507968576 VLOLTYXLBLAAKX-TZIWHRDSSA-N 476.599 2.359 30 10 JEEE C=CCNC(=O)Cn1c(N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)nnc1[C@]1(OC(C)C)CCOC1 1508098292 OGNUAGLJIMUTCZ-KOSHJBKYSA-N 492.621 2.067 30 10 JEEE C=CCOc1ccc(Cn2c(CC(C)C)nnc2N2CCN(C(=O)C(=O)NC(C)C)CC2)cc1 1508104656 MFBVUPPFGRBGCJ-UHFFFAOYSA-N 468.602 2.263 30 10 JEEE CCN(CC)CCCn1c(-c2cccn2C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1515573023 BXAXMOXBDIUILQ-UHFFFAOYSA-N 464.622 2.256 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1Cc1ccc(C#N)o1)[C@@H]1CCS(=O)(=O)C1 1539204750 CVVJOYKBCWTWAL-QGZVFWFLSA-N 451.508 2.093 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 1539317713 GNOJNCIDEDPURT-RBUKOAKNSA-N 454.575 2.339 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](CC)c1ccccc1 1539325677 LNYNWLINVUEIAO-UNMCSNQZSA-N 469.611 2.268 30 10 JEEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CC[C@]2(CCOC2)O1 1539334338 ZSDHAGLSBOVZTM-FDDCHVKYSA-N 453.568 2.071 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(F)cc2)CC1 1539467197 OMLZWPNHXFHGEK-UHFFFAOYSA-N 461.501 2.079 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)OCCCO2 1539538422 HNGRJTRPCCMDKQ-OPAMFIHVSA-N 459.572 2.090 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1cc(C)cc(C)c1 1539556739 HSKDJWQKJVEEMS-XUZZJYLKSA-N 487.626 2.299 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](O)(c2ccc(F)cc2)C1 1539614833 DEDBSVPAZVVAIM-ZCFPFICJSA-N 493.605 2.107 30 10 JEEE C=C(C)COCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1539730064 WDGFCWCDNJYRGU-FQEVSTJZSA-N 465.558 2.269 30 10 JEEE C=CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(CC(=O)NCC)CC1 1539978085 WWTIFLALVNZPKT-UHFFFAOYSA-N 453.591 2.372 30 10 JEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 1539981282 FEULIIMDWIBWHD-JKSUJKDBSA-N 456.613 2.348 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1540866252 IAWUKMQWVZRANV-SIKLNZKXSA-N 485.585 2.427 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1540903303 CLVJYIORABCHJY-WZONZLPQSA-N 478.590 2.383 30 10 JEEE C=CCSCCn1c(Cc2ccccn2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1540917934 GVXUVMSGJOLHSY-HXUWFJFHSA-N 469.659 2.316 30 10 JEEE CC(C)NS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H]1[C@@H]1CCCO1 1541710140 DELGTIZUUCKSDN-PMACEKPBSA-N 458.588 2.292 30 10 JEEE CO[C@]1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(C(=O)NC(C)(C)C)CC2)CCOC1 1554713502 FGRWMUKVZJMPNW-DEOSSOPVSA-N 467.574 2.252 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@](C)(O)[C@H](C)CC)c1 1587693119 PGTIGFOVQIUWBW-YJLYGGOZSA-N 487.626 2.034 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1CCC1(O)CCOCC1)[C@H]1CCS(=O)(=O)C1 1588041144 VEMCHILYBNQGDM-KRWDZBQOSA-N 496.992 2.296 30 10 JEEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCN1CCCO[C@H](C)C1 1588388050 XPAHLRWDPJTNKM-OAQYLSRUSA-N 466.634 2.413 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1CC1(N(C)C)CCOCC1 1588581571 WPYPWJPGDMNVAV-UHFFFAOYSA-N 465.396 2.233 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCc2n[nH]c(C)n2)CC1 1588890956 JKBCJJUJLNOUCQ-MRXNPFEDSA-N 480.548 2.192 30 10 JEEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](O)(c2ccccc2F)C1 1589296847 XYRXJYNYDSGZRV-UGSOOPFHSA-N 488.383 2.034 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1nc([C@H](C)OCC)no1 1589528554 HETDUVGSERPSCT-MKSNKDDYSA-N 459.551 2.327 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC(C)C)nc1 1589663127 ILVHROMYXIUGCJ-IBGZPJMESA-N 478.619 2.244 30 10 JEEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 1593637127 XOMBJBZBKNMLGO-DLBZAZTESA-N 471.624 2.422 30 10 JEEE C=C(Cl)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1593833973 HQORNFXHKQAUSS-NRFANRHFSA-N 466.007 2.402 30 10 JEEE CC(=O)N1CCCN([C@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCC(C)(C)O)C[C@@H]2C)CC1 1596136108 QLOAXQZWXXXXQH-CVDCTZTESA-N 479.629 2.357 30 10 JEEE COc1cc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2CC2(C(N)=O)CCOCC2)cc(OC)c1OC 1619079220 DGTTVUZMAJHPPP-DEOSSOPVSA-N 498.584 2.383 30 10 JEEE N#CCC1CCN(c2nnc(CNC(=O)c3cccs3)n2CCN2CCSCC2)CC1 1620358221 GVSIQVVEOBXKOZ-UHFFFAOYSA-N 459.645 2.448 30 10 JEEE C=C(C)C[C@@H](NC(=O)c1cc(S(N)(=O)=O)cc(Br)c1Cl)C(=O)OCC 1644563603 LMVMIXBGWRBIGW-GFCCVEGCSA-N 453.742 2.378 30 10 JEEE C=CCNS(=O)(=O)c1cccc(C(=O)N(C)Cc2nnc3n2C[C@@H](C(F)(F)F)CC3)c1 1645377260 AWIWKBBNDOCBAA-AWEZNQCLSA-N 457.478 2.139 30 10 JEEE C#CCOc1ccccc1CNC(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)C(F)(F)F)CC1 1679245273 YOZOBLUFOUBBPE-MJGOQNOKSA-N 453.461 2.456 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCCO3)n2Cc2ccc(C(N)=O)nc2)c1 1689872111 OOGDQINUDJYPNW-OAQYLSRUSA-N 473.537 2.118 30 10 JEEE C#CCN(c1nnc(C2CC2)n1Cc1cc(OC)c(OCC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1689987891 DXMZMLDXACIIDL-GOSISDBHSA-N 474.583 2.246 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1Cc1c(F)cccc1SC)[C@H]1CCS(=O)(=O)C1 1689988851 XKQWJIQHAMQQRX-HNNXBMFYSA-N 472.571 2.271 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCCc1cccc(C)n1)[C@@H]1CCS(=O)(=O)C1 1689989708 IACPNLUIZBLLEA-RTWAWAEBSA-N 457.600 2.483 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CCc1ncc(CC)s1)[C@@H]1CCS(=O)(=O)C1 1689993475 FFOLVNDHJGDEQJ-GOSISDBHSA-N 470.624 2.152 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc(OC)cc2OC)CC1 1690113557 MZPNMTJQZZSDTK-VWLOTQADSA-N 469.586 2.139 30 10 JEEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2CC2(N(C)C)CCOCC2)CC1 1690125295 FQPKEAXEWPRLGO-UHFFFAOYSA-N 458.557 2.013 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@]2(C)COCCO2)CC1 1690137118 NZOWULMRWBURCE-AVRWGWEMSA-N 485.560 2.329 30 10 JEEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C(=O)NC)CC1 1690303318 XINPKCDAJFCJFN-UHFFFAOYSA-N 452.357 2.090 30 10 JEEE C=C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC2(C(N)=O)CCOCC2)CC1 1690362371 AOGVDPZSDHQHBA-UHFFFAOYSA-N 472.977 2.300 30 10 JEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC(C)(C)C)nc1)C1CC1 1690544808 BQIKVQNAXKCBQC-LJQANCHMSA-N 490.630 2.386 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1690676120 QIZRSWOTGVHORD-CJNGLKHVSA-N 457.428 2.454 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCC(NC(=O)C2CC2)CC1 1690676182 RYAYFCKXSGHDKF-UHFFFAOYSA-N 466.586 2.271 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCC(O)(C(F)(F)F)CC1 1690717878 STPKMQCJEMDQAP-UHFFFAOYSA-N 474.505 2.448 30 10 JEEE CC(C)N(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1693831285 HOEAGHHLCOYNPV-DVECYGJZSA-N 454.575 2.453 30 10 JEEE CC[C@@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](CNC(C)=O)C1 1694211398 CSXZJDBWNHUQQK-YLJYHZDGSA-N 451.575 2.474 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC(=O)NCc1ccco1 1705505358 JPPDFVGNNGYOGK-ZACQAIPSSA-N 456.547 2.416 30 10 JEEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1705532245 JRDUPKUSUXMGSK-RBBKRZOGSA-N 494.644 2.233 30 10 JEEE C#CCN(c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1705563020 OWUISAHSSIANNX-WZONZLPQSA-N 476.599 2.140 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccc(OCC=C)cc1)[C@@H]1CCS(=O)(=O)C1 1705564882 DXYSQMYGCVDWQZ-WOJBJXKFSA-N 456.568 2.022 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1ccc([C@@H](C)O)cc1)[C@@H]1CCS(=O)(=O)C1 1705566104 XRLNABHHJHKVTK-YLJYHZDGSA-N 451.552 2.068 30 10 JEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1CCc1nccnc1C)[C@H]1CCS(=O)(=O)C1 1705570652 QCIGMKKPTUTHNG-FQEVSTJZSA-N 485.013 2.490 30 10 JEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 1705652742 LRPAAJUXGWCUHI-UHFFFAOYSA-N 472.640 2.213 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(=O)N[C@@H](C)CCC)C1 1705662172 RVRWDUGTIZJDGK-IPMKNSEASA-N 481.688 2.068 30 10 JEEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](CN2CCOCC2)C1 1705663719 CMRBHUGTNSUZPZ-OAQYLSRUSA-N 457.648 2.055 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CCN(c2cnn(C)c2)CC1 1705933094 UGBYAXMIIKMSEB-UHFFFAOYSA-N 476.006 2.259 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@H](COC)C1 1705934412 LLVUMCKIYGBJIL-INIZCTEOSA-N 472.571 2.058 30 10 JEEE CCN1CCN([C@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCNC(=O)C(C)C)CC1 1710265505 BKYMMGXVGBTZDT-HXUWFJFHSA-N 466.634 2.051 30 10 JEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1722325788 OLQUZRXCMDWXMD-QHCPKHFHSA-N 468.583 2.248 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1cc(F)ccc1OC)[C@H]1CCS(=O)(=O)C1 1722365662 NISSNKXKHWKPOQ-FQEVSTJZSA-N 469.542 2.087 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1cc(F)ccc1F)[C@H]1CCS(=O)(=O)C1 1722368586 TTZOTAQQUHGHLP-QAPCUYQASA-N 450.511 2.125 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2ccccc2OC)n1Cc1cccc(N2CCOCC2)n1 1722383132 ILYYXINPPJEPCE-UHFFFAOYSA-N 456.550 2.230 30 10 JEEE C#CCN(CC)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1722408110 ZRBJKXJPGQNDPU-GOSISDBHSA-N 461.588 2.236 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@H]2CN(CC(C)C)CCO2)CC1 1722444254 VTWFXJFGPTVMJT-XMMPIXPASA-N 494.640 2.276 30 10 JEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cccc(OC)c2)CC1 1722452687 JGBQBSAYWYGGQT-UHFFFAOYSA-N 454.600 2.216 30 10 JEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)c2ccc(F)cc2)CC1 1722458394 IHKDSPNLENKXSX-IBGZPJMESA-N 470.574 2.134 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1722519472 HLWQTKOAJQZQDV-INIZCTEOSA-N 462.576 2.048 30 10 JEEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 1722542986 JXETZPBJBKBXEZ-GJZGRUSLSA-N 461.032 2.018 30 10 JEEE C=C(Cl)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCC(C(=O)NCCOC)CC1 1722581024 KUKXTXQBVIGBRO-UHFFFAOYSA-N 457.966 2.248 30 10 JEEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 1722620631 PSGKMAHIZTZGGJ-UHFFFAOYSA-N 460.623 2.484 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(CC2CCOCC2)CC1 1722688563 GBNGZUVQOCDYRZ-LJQANCHMSA-N 486.592 2.408 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2nc(C(F)(F)F)cs2)C1 1722710791 OLBAWKPAWXPKBG-NEPJUHHUSA-N 480.538 2.193 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCC(N2CCCNC2=O)CC1 1722731327 KGOVOYMCBYHUDW-UHFFFAOYSA-N 481.601 2.414 30 10 JEEE C=CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1722734071 AAKLMJNALMMKMH-SFHVURJKSA-N 484.669 2.281 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Br)s2)nnc1N1C[C@H](OC)[C@H](OC)C1 1722751791 VKPAGEGQRVZPGU-BETUJISGSA-N 491.433 2.220 30 10 JEEE CC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C(C)C)N2CCOCC2)C1 1722813198 BKLNNJMWNYLCAO-GOTSBHOMSA-N 465.602 2.278 30 10 JEEE CC(=O)NC[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCN(C(C)C)CC2)C1 1722828948 GSZOGIKHXDIJKQ-QFIPXVFZSA-N 479.629 2.405 30 10 JEEE CCOC1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(C(=O)COC)CC2)CCCC1 1728829303 AGHZQXWTFDUFMH-UHFFFAOYSA-N 452.559 2.461 30 10 JEEE CCS(=O)(=O)NCCn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@](F)(C#N)C1 1729220921 GSSINUCIBFLEHZ-KRWDZBQOSA-N 489.346 2.228 30 10 JEEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC1(C)CC1 1729409366 GOEAQMDTDBAUED-LJQANCHMSA-N 458.588 2.309 30 10 JEEE CNC(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)OC(C)(C)C)C1 1729666676 IDQAOMGUKVGFCJ-SFHVURJKSA-N 483.573 2.216 30 10 JEEE C[S@@](=O)C1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(S(C)(=O)=O)CC2)CCC1 1731021754 GLZPWXVWLKWTQI-JGCGQSQUSA-N 491.639 2.043 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CCN1CCN(C(C)=O)CC1 1740541611 CXIZGFKSLXFRIN-MRXNPFEDSA-N 489.418 2.338 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCCN1CCC[C@H]1CO 1740550858 RNDQAQKDWMLLBZ-ACRUOGEOSA-N 490.649 2.281 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H]2CCN(CC)C2)CC1 1740701093 UGQSQDNMAZZJKW-PCCBWWKXSA-N 471.650 2.146 30 10 JEEE C=CCCCn1c(C(C)C)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1740868173 FYMXTBAAEBTNGK-ZACQAIPSSA-N 453.609 2.494 30 10 JEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F 1740888507 UEVBHSNVXOEHAZ-CQSZACIVSA-N 476.525 2.162 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OCCC)c(OC)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1748657819 JVEWHHVGTKDTFV-QZTJIDSGSA-N 475.615 2.482 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2ccc(CC)cc2)C1 1748751305 FHXWAFPPXUIXPQ-FGZHOGPDSA-N 487.626 2.165 30 10 JEEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCOC[C@H]1CCCO1 1748785301 RAPLMQPCNYPCCG-GOSISDBHSA-N 450.543 2.330 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(F)c(C)c1)[C@H]1CCS(=O)(=O)C1 1748804492 IKHUFMDVBZPCPM-CVDCTZTESA-N 476.574 2.053 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCSC1)[C@@H]1CCS(=O)(=O)C1 1748808659 FQXNDSADJGBXLB-GDBMZVCRSA-N 452.005 2.373 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(C)o2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1748953507 NTEACFATVBAJKZ-OALUTQOASA-N 455.538 2.279 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)ccc3Br)n2CCC(=O)NC(C)C)CC1 1748979849 PNDCZPDRHNGVKW-UHFFFAOYSA-N 489.418 2.386 30 10 JEEE C#CCSCCn1c(N2CCN(c3ccc(O)cc3)CC2)nnc1[C@]1(OCC)CCOC1 1749049897 RIMJUGYVEDSIMZ-QHCPKHFHSA-N 457.600 2.329 30 10 JEEE C=CC[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)CS(C)(=O)=O)c1ccccc1 1749384556 CYBQYMHBJLHFIV-MISYRCLQSA-N 480.656 2.409 30 10 JEEE Cc1nccnc1CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](CC(N)=O)C1 1751814272 CGFXHLYVVWHHBD-IBGZPJMESA-N 460.542 2.162 30 10 JEEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc(OC(F)(F)F)cc1 1760225030 FPVSMQNVLRADPW-CQSZACIVSA-N 459.494 2.489 30 10 JEEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H](c1ccccc1)N1CCOCC1 1760227634 JKMNGALMRUYBPF-WIOPSUGQSA-N 453.587 2.463 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@@H](C)Oc2ccccc2C)CC1 1760268698 ONGKQAPYLYVXQX-LJQANCHMSA-N 459.554 2.477 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccn2C)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1760318328 FOBSDIDHCKXJTB-NSHGMRRFSA-N 462.620 2.030 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN2C(=O)OC[C@@H]2C1 1760548620 LYMWZJZEXJNASA-OALUTQOASA-N 489.598 2.277 30 10 JEEE CCO[C@@]1(c2nnc(N3CCN(c4ccc(C#N)cc4F)CC3)n2CCC(=O)NC(C)C)CCOC1 1765912177 GRKCCPPMYPHPDD-VWLOTQADSA-N 499.591 2.182 30 10 JEEE CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1Cc1ccc(C[S@](C)=O)cc1 1766400529 HSMWIFPBFAJLHY-UMSFTDKQSA-N 479.610 2.335 30 10 JEEE CN(CCc1cnccn1)c1nnc(COc2ccc(C#N)cc2)n1CC1CCS(=O)(=O)CC1 1767290627 AWUPHVOHDJQLLI-UHFFFAOYSA-N 481.582 2.022 30 10 JEEE CS(=O)(=O)N1CC[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCCCCC2)C1 1771359634 HPOYMXACZUSYKH-IBGZPJMESA-N 458.588 2.391 30 10 JEEE CC(C)C[C@H](C(=O)N1CC[C@H](NS(=O)(=O)c2ccccc2C#N)C1)N1C(=O)c2ccccc2C1=O 1858311783 DLZNFLATSZNXDW-GHTZIAJQSA-N 494.573 2.148 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)[C@H](C)Oc3cccnc3NC(=O)NCCCNC(C)=O)cc21 1858807090 LGJAWPLPRYQTTA-INIZCTEOSA-N 495.536 2.291 30 10 JEEE C=C(C)Cn1nc(C)c(CCC(=O)NCCNC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)c1C 1860322805 HURSYANXMACHOU-QFIPXVFZSA-N 465.598 2.290 30 10 JEEE N#Cc1cnn(-c2ccccc2F)c1NC(=O)[C@H](CCC(N)=O)NC(=O)OCc1ccccc1 1866116631 LFHZCNRPLILHRS-SFHVURJKSA-N 464.457 2.382 30 10 JEEE CC[C@H](NC(=O)CCS(=O)(=O)c1ccc(NC(C)=O)cc1)C(=O)Nc1cccc(C#N)c1 1866809291 MFLDIYZWQLXCHO-FQEVSTJZSA-N 456.524 2.214 30 10 JEEE CSCC[C@@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)NC[C@H](O)c1ccc(Cl)cc1 1869933362 DZEOIOBRVZOWTB-SJORKVTESA-N 468.000 2.350 30 10 JEEE CCc1ccc(-n2nnc(C#N)c2NC(=O)CNC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 1870140599 ZNGAVUKEPKJQCS-UHFFFAOYSA-N 464.482 2.096 30 10 JEEE CCOC(=O)c1ccc(N2C[C@H](C(=O)Nc3c(C#N)nnn3-c3ccc4c[nH]nc4c3)CC2=O)cc1 1870151419 WCGWORPJIHWAKR-MRXNPFEDSA-N 484.476 2.184 30 10 JEEE C=CCn1cc(OCC(=O)Nc2ccccc2C(=O)OC)c(=O)cc1CN1C[C@H](C)O[C@@H](C)C1 1870741761 BSBQWRQVAZQKED-ROUUACIJSA-N 469.538 2.448 30 10 JEEE CN(CC(C)(C)C)[C@H]1C[C@H]2C(=O)NC3(CCN(Cc4ccc(C#N)cc4)CC3)CC(=O)N2C1 2080397388 ICMHYUHIRJCGES-VXKWHMMOSA-N 451.615 2.360 30 10 JEEE C[C@@H](COCc1ccccc1)NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2247952702 POKNQGLPKADUCJ-HNNXBMFYSA-N 452.407 2.467 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)[C@H](O)C1 2255876329 BSIZGRQSMDBXDN-ZIAGYGMSSA-N 452.382 2.147 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@H]1C(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)cs1 2256678698 QIMSFDAKMVWWKN-HZPDHXFCSA-N 452.382 2.203 30 10 JEEE Cn1cc(C(=O)N2CCC[C@H](NC(=O)OCc3ccccc3)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2264008175 CHNNUALKKKCUDX-SFHVURJKSA-N 468.363 2.250 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NCCN2CCC(NC(=O)OC(C)(C)C)CC2)C1 2266487794 PFQSLQTWXXXVIC-UHFFFAOYSA-N 464.607 2.398 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@@H]1CNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2267469495 WTFFVTXEUGYTJO-CQSZACIVSA-N 487.453 2.261 30 10 JEEE CO[C@H]1C[C@H](CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)N(C(=O)OC(C)(C)C)C1 2267555677 QRQFGIBWGZAPRP-CABCVRRESA-N 450.341 2.333 30 10 JEEE CC(C)(C)OC(=O)N1CCNC(=O)CCN(C(=O)[C@@H]2C[C@H]2B2OC(C)(C)C(C)(C)O2)CC1 2267565923 UKIWIRFIMFRULT-HZPDHXFCSA-N 451.373 2.054 30 10 JEEE C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1F 2268644660 MFTKQPQNXMETTE-BDJLRTHQSA-N 456.295 2.477 30 10 JEEE CC(C)(C)OC(=O)N1CC2(COC[C@@H](CNc3ccc(B4OC(C)(C)C(C)(C)O4)cn3)O2)C1 2279199588 XWVHVNAAYHSCMG-QGZVFWFLSA-N 461.368 2.198 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)CC[C@@H]1C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2279289605 HJXFUUOGWIJBRJ-RBUKOAKNSA-N 460.380 2.362 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CN(c3nccc(B4OC(C)(C)C(C)(C)O4)c3F)C[C@H]2[C@@H]1CO 2280764517 RWVXDEZOKILYFJ-UXLLHSPISA-N 463.359 2.184 30 10 JEEE Cc1nn(C)c(C(=O)N2C[C@@H](F)C[C@H]2CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2281986830 UDUZCASOTGLILY-GJZGRUSLSA-N 466.363 2.105 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CC(NC(=O)c3ncncc3B3OC(C)(C)C(C)(C)O3)C[C@H]2C1 2282172439 XAXACRGFANPCPX-GJZGRUSLSA-N 458.368 2.151 30 10 JEEE C[C@@H]1CC[C@@H](NC(=O)C(F)(F)F)CN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2282343833 RWQGHHVZNVWGAC-UKRRQHHQSA-N 476.326 2.206 30 10 JEEE CC(C)(C)OC(=O)N1CC(CO)(CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2282403322 RGMLFBUVHAGGQD-UHFFFAOYSA-N 464.343 2.084 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)c2c(F)cccc2B2OC(C)(C)C(C)(C)O2)CCO1 2282467432 KRMFNHGFVKOUIK-HNNXBMFYSA-N 464.343 2.491 30 10 JEEE Cc1c(C(=O)N2C[C@@H](CNC(=O)OC(C)(C)C)C[C@@H]2C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282552707 MHKMEAFPHAAHLO-GOEBONIOSA-N 462.400 2.403 30 10 JEEE CC[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282555630 WKHYJAFYSZXWAJ-DOTOQJQBSA-N 462.400 2.485 30 10 JEEE Cn1cc(C(=O)N[C@]23CCC[C@@H]2CN(C(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)n1 2282584027 AUSZFZMFOHIRKD-CMJOXMDJSA-N 460.384 2.239 30 10 JEEE CC(C)(C)OC(=O)NCC12CC(CNC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)sn3)(CO1)C2 2282607705 ZAMSQTCMIVPDOU-UHFFFAOYSA-N 479.408 2.246 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2O)c1 2282684522 RQHNXGJCMDCHGL-MOPGFXCFSA-N 460.380 2.394 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCCN(CC(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)C1 2283988530 WVCSRURWULYGOV-QGZVFWFLSA-N 460.384 2.308 30 10 JEEE CC(C)(C)OC(=O)N[C@H](C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1)[C@@H](O)C(C)(C)C 2284051402 NMDUDHPRBDDIBI-JKSUJKDBSA-N 483.440 2.359 30 10 JEEE CN(C[C@]1(O)CCCN(C(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)C1)C(=O)OC(C)(C)C 2286339776 RNCZBVDHYALWLH-JOCHJYFZSA-N 481.424 2.276 30 10 JEEE CCOc1ccc(C(O)=C2C(=O)C(=O)N(CCOCCO)[C@H]2c2ccccc2[N+](=O)[O-])cc1 2296185182 CNYBNPJFFCOCSD-FQEVSTJZSA-N 456.451 2.424 30 10 JEEE Cc1nc(C)c(C(O)=C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccc([N+](=O)[O-])c2)s1 2297056441 DFSFLWGJCXCAOL-SFHVURJKSA-N 472.523 2.422 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2312857572 PGCXBUQQWFOVCD-HEHGZKQESA-N 470.422 2.333 30 10 JEEE CC1(C)OB(c2c(F)cc(NS(=O)(=O)CCN3C(=O)c4ccccc4C3=O)cc2F)OC1(C)C 2318668458 ZBGYPROFHFRRHH-UHFFFAOYSA-N 492.309 2.302 30 10 JEEE CCOc1ccc(C=NNc2nc3c(c(O)nc(=O)n3C)n2C[C@@H](O)COc2ccccc2)cc1 2327751620 VMDISLRIFWHHFO-QGZVFWFLSA-N 478.509 2.120 30 10 JEEE COc1[nH]c(=N[C@@H]2COCCN(C(=O)OCc3ccccc3)C2)ccc1B1OC(C)(C)C(C)(C)O1 2339787992 JAZRUIIVAAHWCZ-IBGZPJMESA-N 483.374 2.261 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2C[C@H]1C[C@@H]2NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2359267262 XKTXWCGZOSKVGE-NXNVCVFFSA-N 458.368 2.197 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2C[C@@H](C)N(C(=O)OC(C)(C)C)C2)n1C 2362323444 DUQZFNMYKBWFBH-GDBMZVCRSA-N 462.400 2.403 30 10 JEEE 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)ncn1C 2362350671 UYZYVJSUWBCOMJ-BZUAXINKSA-N 460.384 2.047 30 10 JEEE COc1nc(N(C)C[C@@H]2COCCN2C(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2365348617 SSSMTXPUXVAVPY-MRXNPFEDSA-N 463.384 2.462 30 10 JEEE CO[C@H](CNC(=O)OC(C)(C)C)CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1C 2365478747 YODJFWCQIHLYDU-QGZVFWFLSA-N 484.424 2.112 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCN(S(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1(C)C 2380428707 UHPVFKJKCOWXAJ-QGZVFWFLSA-N 481.424 2.447 30 10 JEEE COCC/N=c1\scc(-c2ccc3c(c2)NC(=O)CO3)n1/N=C1\C(=O)N(C)c2ccccc21 12582313 XFRUEEZWAZNMEB-ZDMFJLOGSA-N 463.519 2.323 30 10 JEEE C=CCn1cc(C(=O)N(C)CC(OC)OC)c(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc21 20240483 CCNLVEAHRYLPFP-UHFFFAOYSA-N 491.610 2.443 30 10 JEEE COc1cccc(/C(C)=N/Nc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2N)c1 21326257 RTVLUAVORDCGRS-WSDLNYQXSA-N 456.488 2.476 30 10 JEEE N#Cc1cccnc1N1CCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3Br)C2)CC1 105838971 CAAHNRPGGHWWOS-MRXNPFEDSA-N 454.328 2.417 30 10 JEEE CCOCCCN1C(=O)C2=C(/C(=C3\C=CC=CC3=O)NN2)[C@H]1c1cc(OC)c(OC)c(OC)c1 136869060 OSVHTNAHAHSNOR-LHBRDVBXSA-N 467.522 2.333 30 10 JEEE NS(=O)(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2c2ccncc2)cc1 170359017 KBCLXMVNDZNVHV-LJQANCHMSA-N 480.458 2.420 30 10 JEEE CC(=O)OC[C@]12C(=O)[C@H](O)[C@H](C)[C@]3(C[C@H](c4ccoc4)O[C@@H]3OC(C)=O)[C@@H]1CCC[C@]21CO1 256069407 MVZLPYVWRQUGCU-AYXYRSFFSA-N 462.495 2.315 30 10 JEEE biogenic N#Cc1ccccc1S(=O)(=O)N1CCN(CC(=O)Nc2ccnn2Cc2ccccc2Cl)CC1 619674879 KOYVXPYCIHROCT-UHFFFAOYSA-N 498.996 2.401 30 10 JEEE C#CCN(C(=O)c1cc(S(=O)(=O)Nc2ccc(OC)cc2)ccc1C)[C@H]1CCS(=O)(=O)C1 729330355 BKHXZHBWJSCULX-SFHVURJKSA-N 476.576 2.067 30 10 JEEE C#CCN(C(=O)CSc1nnc(-c2ccco2)n1Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 729331248 KYLRMBUQXZGYPH-GOSISDBHSA-N 470.576 2.327 30 10 JEEE CCC(CC)C(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1C1CCN(C)CC1 729668811 DUXWABNNRLRLQW-UHFFFAOYSA-N 463.607 2.333 30 10 JEEE C=CCn1c(S)nnc1Cc1csc(NC(=O)C2CCN(Cc3nccn3C)CC2)n1 917075217 ATQJJIUXEJOACU-UHFFFAOYSA-N 458.617 2.384 30 10 JEEE CNC(=O)COc1ccc(C(=O)O[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)cc1OC 920587453 BWXLWRXEQULBHN-GFCCVEGCSA-N 457.508 2.426 30 10 JEEE Nn1c(NN=Cc2cc(Br)ccc2O)nnc1SCC(=O)Nc1nccs1 1084599840 ZSWKCKQZMXWSCN-UHFFFAOYSA-N 469.350 2.093 30 10 JEEE C=C(Cl)C[C@H](NS(=O)(=O)c1c(C)nn2cc(Br)cnc12)C(=O)OCC 1193572625 FHSUCNDIVKWAIE-NSHDSACASA-N 451.730 2.153 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC(F)(F)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1286389668 OHPKMAKLCSWCIU-GOSISDBHSA-N 460.510 2.097 30 10 JEEE C#CCN(c1nnc(CCCc2ccccc2)n1Cc1cc(C)nn1C)[C@@H]1CCS(=O)(=O)C1 1286390464 BANVFGIPSYNEKH-OAQYLSRUSA-N 466.611 2.170 30 10 JEEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1CCNC(=O)c1cccs1 1286433347 CXWZOSKBEGQSED-UHFFFAOYSA-N 466.592 2.224 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2CCCN2C[C@@H](C)O[C@H](C)C2)CC1 1286494799 RLHLZNCRDLSRCB-NHCUHLMSSA-N 470.662 2.476 30 10 JEEE C=C(Br)Cn1c(N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)nnc1[C@]1(OC(C)C)CCOC1 1286548144 UHXMVCPGUZSIEU-RKVPGOIHSA-N 479.441 2.485 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)C(C)C 1286749366 QGWHQRAJUKEPIL-GHTZIAJQSA-N 483.660 2.272 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(OC[C@H]2CCOC2)CC1 1286782115 KRNVXFRRVGVDHF-IBGZPJMESA-N 450.543 2.141 30 10 JEEE C=CCNC(=O)Cn1c(N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)nnc1C1(c2ccccc2)CCC1 1286793442 XYOZVHZSNSKHSW-ZWKOTPCHSA-N 459.616 2.308 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H]3CCOC3)nnc2N2CCC(NS(=O)(=O)CC)CC2)cc1 1286795990 GUNKAFJFEMYZND-LJQANCHMSA-N 475.615 2.303 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1C[C@H](C)[C@@H](C)C1 1286822697 NHELFVGCSHQOQS-VXKWHMMOSA-N 486.686 2.336 30 10 JEEE CC(=O)Nc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(CCC#N)CCC(C)C)cn1 1286894625 HMYODVRGFBALFL-IBGZPJMESA-N 473.603 2.348 30 10 JEEE C=CC1(CC(=O)N2CCN(C)C[C@H]2CNC(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)C1 1294574144 XEENQCLYOCPGOC-QGZVFWFLSA-N 452.596 2.467 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1Cc1c(CC)noc1C)[C@H]1CCS(=O)(=O)C1 1300499558 USRTTXFTNIDKLP-IBGZPJMESA-N 483.594 2.411 30 10 JEEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1Cc1ccccc1CN1CCC(O)CC1 1300544812 GPLMDBISCYKZDY-UHFFFAOYSA-N 471.609 2.218 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccc(Br)cc2)n1C[C@]1(O)CCO[C@@H]1C 1300548843 QHUHTTOSHGKUOE-IIBYNOLFSA-N 459.344 2.232 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2csc([C@@H](C)OC)n2)CC1 1300708063 MJGKHJWZSZYDDR-MRXNPFEDSA-N 485.639 2.237 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OC)n2Cc2ccc(OC)nc2)CC1 1300731678 SCLZOPMRXCONCO-UHFFFAOYSA-N 490.564 2.283 30 10 JEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](CN2CCCCCC2)C1 1300732893 FLMIBXWHUDMFLN-UXHICEINSA-N 482.720 2.347 30 10 JEEE C=CCCOCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@](C)(C(=O)NC)C1 1301252978 UHXYYWXUEXWKGX-QHCPKHFHSA-N 451.531 2.149 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1301490575 VWNCCJLBWKJENJ-UHFFFAOYSA-N 481.022 2.151 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 1301506716 POOYWWDJWJGNTB-SFHVURJKSA-N 469.590 2.307 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)c1cccc(F)c1 1358890312 NSHVKZGLMUZCQW-APWZRJJASA-N 463.579 2.186 30 10 JEEE C#CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1358941064 XDXUUUZDMLQVAD-YOEHRIQHSA-N 481.420 2.309 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H](C)c1nc(C)cs1)[C@H]1CCS(=O)(=O)C1 1358967039 CARFPEBUMWKOHR-BVBHFADKSA-N 493.655 2.197 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@](C)(O)c2ccccc2Cl)CC1 1359030239 RAFGPRNTWXNTEI-MBSDFSHPSA-N 461.994 2.318 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@@](C)(O)c2ccsc2)CC1 1359046433 RKEOVNCVXQGCKF-XMMPIXPASA-N 464.595 2.199 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)c(OC)c1OC 1359070292 JTLDURBLIBTLFN-UZUQRXQVSA-N 474.583 2.246 30 10 JEEE C=C(Br)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCNC(=O)CC1 1359078553 HAHYBBWKBNUCLU-UHFFFAOYSA-N 466.336 2.206 30 10 JEEE C=C(Br)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1359084196 AAXPCWKENGESJH-MAUKXSAKSA-N 478.347 2.041 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCNC(=O)CC1 1359090330 ZDVWUHAKMHPIJH-GHTZIAJQSA-N 452.559 2.455 30 10 JEEE C=CCCCCn1c(N2CCN3C(=O)N(CC)C(=O)[C@@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1359206871 RYEBCRJOSGEEAA-FDDCHVKYSA-N 460.579 2.148 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1359293015 DKBRJRNBWNIOBB-HXUWFJFHSA-N 494.415 2.025 30 10 JEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 1359302559 LJGCNEZPRGYWNB-INIZCTEOSA-N 475.619 2.430 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1359305076 SFCSWIIBULACND-UHFFFAOYSA-N 486.580 2.369 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1359309297 NQXKWLTWZOZHHS-NLWGTHIKSA-N 475.615 2.364 30 10 JEEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)Cc2cccc(OC)c2)CC1 1359341206 PDMFWJQTQSRKDN-UHFFFAOYSA-N 481.626 2.498 30 10 JEEE COCC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccnc(SC)c2)CC1 1504536643 FRVPMFNBGXFFLU-UHFFFAOYSA-N 493.593 2.189 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2Br)n1CC1(O)CCS(=O)(=O)CC1 1507524220 AIMPJYVQAVVAMF-AWEZNQCLSA-N 467.389 2.105 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCN/C(O)=C1\N=CC=CC1=O 1507643404 VFOVYMRTDWYPLR-IJCFDHGGSA-N 462.485 2.156 30 10 JEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCOC(F)(F)F 1507648347 NLHAOTBETDEZEF-UHFFFAOYSA-N 454.478 2.238 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(F)cc1Cl 1507671493 LRRZMLGCPQUCHU-HXUWFJFHSA-N 493.992 2.109 30 10 JEEE C=C(C)COCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(NC(C)=O)CC1 1507846214 YUDRDJZPASHARX-FQEVSTJZSA-N 492.621 2.284 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC1(O)CCOCC1 1507995561 ABTNZTOAJQZGRX-FQEVSTJZSA-N 490.626 2.313 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1508078577 DORGWYWCZGHWEN-KRWDZBQOSA-N 456.547 2.359 30 10 JEEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 1521712049 FFHFYSDGGCUQSL-GOSISDBHSA-N 450.524 2.487 30 10 JEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(F)cc1F 1539072520 SCJOXTAWDNGEIW-LJQANCHMSA-N 467.542 2.329 30 10 JEEE C#CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H]1CCCN1CCCO 1539176092 HLLMKFMZJPMWMM-FQEVSTJZSA-N 460.623 2.309 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1CC1(O)CCN(C(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 1539218676 CAPBFPCFZRQRRM-HSZRJFAPSA-N 499.681 2.039 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H](OC)c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1539231072 OBPZUIVDSCFYIE-VAMGGRTRSA-N 462.547 2.283 30 10 JEEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccnc(OC2CCCCC2)c1 1539239515 MGOHWPDDDCTQSN-SFHVURJKSA-N 470.599 2.116 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1539751659 ROJPQANHUSUJDI-RTBURBONSA-N 451.637 2.084 30 10 JEEE C=CCCOCCn1c(CCc2ccccc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1540040212 OYCKFCNVRIUSDY-UHFFFAOYSA-N 468.602 2.230 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cnn(C)c1C 1540200408 AUCWXHFZJHDVKQ-LJQANCHMSA-N 475.594 2.316 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC(Nc2cc(OCC)ncn2)CC1 1540870060 DOUKCCUCKOCJRB-SFHVURJKSA-N 470.578 2.092 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@]2(O)CCO[C@H]2C)C1 1540882667 MTJUIBJYGVZCNG-QUZZAMIASA-N 475.977 2.183 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(Cc3cccnc3)n2Cc2ccccc2S(=O)(=O)N(C)C)C1 1540894033 PBKRQTAFQBTALG-OAQYLSRUSA-N 482.610 2.344 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1540904386 MXBMMFRXSIZHLG-LJQANCHMSA-N 484.619 2.012 30 10 JEEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H](c2cccc(C(F)(F)F)c2)N(CC)CC)CC1 1542895087 ZHIIWFPDAYRSMF-OAQYLSRUSA-N 452.521 2.372 30 10 JEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCOC[C@H]1c1nc2ccccc2s1 1556312855 HCLPQQILYDNVIX-KSSFIOAISA-N 456.549 2.435 30 10 JEEE C#CCCCCn1c(Cc2ccccc2OC)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1587773118 ASMKECQZDJAEEE-QFIPXVFZSA-N 464.570 2.448 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1cccc(CN(C)C)c1)[C@@H]1CCS(=O)(=O)C1 1588045619 NLIPDRKYOBSVLM-OAQYLSRUSA-N 464.595 2.077 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1588069487 PBBSRRCVWBQKPV-NBGIEHNGSA-N 497.621 2.297 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2([S@@](C)=O)CCC2)CC1 1588898954 IWWNJOUDECCZCZ-MGBGTMOVSA-N 464.595 2.084 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCCN1CCc2ccccc21 1589150854 MLENBEKBPNWKST-FDDCHVKYSA-N 456.616 2.333 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)CC(=O)N1CCOCC1 1589505337 LUEYYICFAWBFAH-NQIIRXRSSA-N 470.530 2.130 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCc2cccs2)CC1 1593746426 DXQXZKOVUFBUKR-LJQANCHMSA-N 479.672 2.199 30 10 JEEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCCN(CC(F)(F)F)CC1 1595569624 KXFPBOYGTHJVBZ-UHFFFAOYSA-N 466.508 2.276 30 10 JEEE C=CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@@H](C)C(=O)NC 1595883905 DDBZFYLOCWPVTG-IAGOWNOFSA-N 482.651 2.324 30 10 JEEE CC1(C)CN(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCC(CC(N)=O)CC2)CCO1 1611797009 HYUVRINDUHHHBW-UHFFFAOYSA-N 451.575 2.019 30 10 JEEE COc1cc(N=C2N[C@@H]3[C@H](O)[C@H](O)C[C@H](C(=O)N(C)Cc4ccccc4)[C@H]3S2)cc(OC)c1 1614399299 FFVCFUPHXIKICE-ZSYZGHEHSA-N 471.579 2.165 30 10 JEEE C[C@H]1CN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CCN1C(=O)OC(C)(C)C 1615904185 CEZXAEIJJAHOEW-GHTZIAJQSA-N 459.566 2.476 30 10 JEEE COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2C[C@H](C)O[C@@H](C)C2)CC1 1618897029 AFNNLQGDZIAHAP-OALUTQOASA-N 467.574 2.204 30 10 JEEE COCCN(CCC#N)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@]1(O)CCC[C@@H]1C 1619910246 BHIOBMIQPVUDSY-HTAPYJJXSA-N 461.588 2.266 30 10 JEEE C#CCN1CCCN(C(=O)C2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)CC1 1634011778 TXRVUXCTYQHPCR-UHFFFAOYSA-N 457.518 2.274 30 10 JEEE CC(=O)N1CC[C@H](C)c2ccc(S(=O)(=O)N3CCN(c4nccnc4C#N)C[C@@H]3C)cc21 1662841051 GITSLPVSWHQZAO-HOTGVXAUSA-N 454.556 2.108 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CNC(=O)c3cccs3)n2Cc2ccn(C)n2)c1 1689873224 BMAJGZSLFBOODJ-UHFFFAOYSA-N 488.577 2.108 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H]1OCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1689982203 JIRYPMXLTKJRJS-GHTZIAJQSA-N 488.610 2.404 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1689982320 KRKZTBPWRQINTG-XXBNENTESA-N 476.574 2.133 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1Cc1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 1689993713 KDVCDQQJXGQNRW-IBGZPJMESA-N 471.608 2.317 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CC12CCOCC2 1690037048 KEGUUHCFFQKNAU-OAQYLSRUSA-N 481.622 2.475 30 10 JEEE C#CCN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1690075614 PKHLHZCERMRPSK-GOSISDBHSA-N 494.662 2.134 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cnccc1OC 1690077490 PSCHQCCVCPSSHT-SFHVURJKSA-N 456.547 2.498 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2cccnc2OCC(F)(F)F)CC1 1690134920 KZICEDXSOQTPSC-OALUTQOASA-N 494.518 2.142 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2cn3ccc(C)cc3n2)CC1 1690137018 MKNLXLBWDLRRGS-UHFFFAOYSA-N 490.612 2.167 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCCN(C)c2ccccc2)CC1 1690143989 ILUPFDABSMSALY-QFIPXVFZSA-N 477.613 2.112 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2CC2C[C@@H](C)O[C@H](C)C2)CC1 1690152557 PIKQZOATIQLTFT-QZTJIDSGSA-N 498.653 2.439 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCCCS(C)(=O)=O 1690198543 SGURSLPLFDIUMI-JOCHJYFZSA-N 468.587 2.128 30 10 JEEE C=C(Cl)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1690337155 FSCWMGBLSWWFOB-UHFFFAOYSA-N 467.979 2.329 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc(SC)c(OC)c1 1690655328 PAACCMYWTMLOLA-UHFFFAOYSA-N 458.588 2.183 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@H](N2CCCC2=O)C1 1690662029 OUOOEVBKCXHTMO-HNNXBMFYSA-N 491.365 2.350 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN2CCCC[C@H]2C1 1690714085 DOSPANCGXJXYQS-NRFANRHFSA-N 486.642 2.423 30 10 JEEE C=CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1690737261 GSGWMZXMPLLXIL-UHFFFAOYSA-N 496.645 2.424 30 10 JEEE CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H]1CCN(CCc2ccccc2)C1 1692521582 FJIIFXOEERYGSR-YKSBVNFPSA-N 453.566 2.423 30 10 JEEE CCCC(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2COCCO2)C1 1695025250 HWGLNWCGLPBGCR-CTNGQTDRSA-N 452.559 2.365 30 10 JEEE CN(C)C(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1696586480 DPZLPLBDJUXJBH-SFHVURJKSA-N 483.573 2.310 30 10 JEEE N#Cc1ccc(-c2nnc(N3CC[C@H](C(=O)NCC(F)(F)F)C3)n2CCCN2CCOCC2)cc1 1698485476 FGHQAMUAVZXBSB-IBGZPJMESA-N 491.518 2.044 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCNC(=O)OC(C)(C)C 1705485247 GRVICXSQOAVZQY-INIZCTEOSA-N 451.535 2.294 30 10 JEEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 1705522801 GEEVAXPEAYPBKZ-IBGZPJMESA-N 485.614 2.170 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC[C@H](C)c1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1705558715 GPCYWOJHIXFHSF-ICSRJNTNSA-N 487.626 2.245 30 10 JEEE C#CCN(c1nnc([C@@H](C)CC)n1CCCNC(=O)c1occc1C)[C@@H]1CCS(=O)(=O)C1 1705561569 UYEXFVJATVISBY-FUHWJXTLSA-N 461.588 2.140 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1CCOc1ccccc1C)[C@@H]1CCS(=O)(=O)C1 1705564044 JYRSIMOUSPCDKU-LJQANCHMSA-N 453.568 2.298 30 10 JEEE C#CCN(c1nnc(C2CCC2)n1Cc1cc(OC)c(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1705567204 UEJOTNAXGDYPOK-SFHVURJKSA-N 474.583 2.246 30 10 JEEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1CCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1705567893 BVCGCMXEZPRDBK-NRFANRHFSA-N 471.627 2.196 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1C[C@H](CC)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1705570835 RWWYOLMYWGXYHB-ROUUACIJSA-N 467.636 2.407 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCc2nccn2C1 1705583068 PMJSDDLXFVEEBC-PMACEKPBSA-N 479.585 2.118 30 10 JEEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 1705584879 BSMXZMLXDUXRJB-IBGZPJMESA-N 454.575 2.120 30 10 JEEE C#CCN(CC)c1nnc(COc2ccc(C#N)cc2)n1Cc1cccnc1N1CCOCC1 1705617249 YDCCJCXQWNVHEO-UHFFFAOYSA-N 457.538 2.468 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC[C@@H](C)N2CCCCC2)CC1 1705635061 PXGYAMLPOCJINV-RCZVLFRGSA-N 458.651 2.338 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCOCCS(C)(=O)=O)CC1 1705636321 FYIGZMMLINDTGQ-UHFFFAOYSA-N 486.425 2.068 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2nc(C)cs2)CC1 1705645364 RIVQUGWBTHCFRA-QHCPKHFHSA-N 472.615 2.098 30 10 JEEE C#CCSCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCO[C@@H](C(=O)NC)C1 1705654645 OZRLRCRDLDUHAV-NVXWUHKLSA-N 459.641 2.449 30 10 JEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1 1705659661 CCLJFKHKQURUQQ-KSZLIROESA-N 474.631 2.431 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)CC(=O)NC(C)(C)C 1705697423 VBUGQWGQSKXKBC-WIYYLYMNSA-N 479.589 2.253 30 10 JEEE C=C(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1705720227 FYLICPZBILWVJX-LJQANCHMSA-N 459.639 2.296 30 10 JEEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCN(CCOC(C)C)CC1 1705900520 GSJLRBPUNKGCIJ-UHFFFAOYSA-N 451.575 2.276 30 10 JEEE CC(C)COC(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCN(C)C2)CC1 1706519493 AUPBFXDHHOLVCO-VWLOTQADSA-N 481.601 2.188 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1Cc1ccco1 1706884549 GCQFAFURJAWOTP-SFHVURJKSA-N 483.598 2.114 30 10 JEEE CCNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1710308345 CLEPUIQEOYKQLZ-RUZDIDTESA-N 476.585 2.465 30 10 JEEE CN(C)C(=O)[C@H]1CCCN1CCCn1c(-c2ccccc2F)nnc1N1CC[C@](F)(C#N)C1 1710972090 BPJWKDKNYCQWGD-XXBNENTESA-N 457.529 2.469 30 10 JEEE C#CCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1722332559 MQHDQULFMZVSIP-HXUWFJFHSA-N 459.572 2.112 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CC(F)(F)Br)[C@@H]1CCS(=O)(=O)C1 1722360366 UAIWFRHPAUKIJN-OAHLLOKOSA-N 484.326 2.431 30 10 JEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1Cc1ccoc1)[C@H]1CCS(=O)(=O)C1 1722372140 QGIMUNZLYZSAMD-FQEVSTJZSA-N 454.552 2.340 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CC2(COC)CCOCC2)CC1 1722432898 ILPVVXPKNCTSHA-UHFFFAOYSA-N 499.612 2.169 30 10 JEEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](COC(C)C)C1 1722455778 VYKXGALBQVUQEH-IBGZPJMESA-N 478.640 2.345 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCN(Cc3nc(COC)no3)CC2)nnc1C(C)(C)C 1722499322 IKRALNGPEOJQOW-XLIONFOSSA-N 459.595 2.408 30 10 JEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1722527338 GRDASJULQKPZAE-MSOLQXFVSA-N 462.595 2.456 30 10 JEEE C=CC[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCc2nn(C)c(=O)cc2C1)c1ccccc1 1722594229 HVNKHEVSAJLLHK-IBGZPJMESA-N 461.570 2.433 30 10 JEEE C=CCCOCCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1722629268 OVKXYBUIFTTXAY-SFHVURJKSA-N 453.547 2.386 30 10 JEEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](CC)C1 1722682700 CUFVPJHJQIFFDI-ARFHVFGLSA-N 456.613 2.204 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 1722694787 IGYDQVKRYMTKGF-QGZVFWFLSA-N 498.584 2.370 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC(Cn2cncn2)CC1 1722702076 KDGQWNIAFBJJHI-UHFFFAOYSA-N 464.574 2.284 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2C[C@H](F)COC)C1 1722709910 BFYZXEJTAIVKST-IRXDYDNUSA-N 466.583 2.312 30 10 JEEE Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc(C#N)cc3)n2C[C@@H]2CCS(=O)(=O)C2)n1 1725935635 BDRKOCWRVKIKCF-FQEVSTJZSA-N 453.572 2.083 30 10 JEEE CN(CCC1CC1)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1729509726 CUUWKOVQJONOOX-LJQANCHMSA-N 458.588 2.389 30 10 JEEE CS(=O)(=O)NC[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nccn2C(F)F)C1 1731014416 IBEMYJMCCNLYPQ-MRXNPFEDSA-N 490.540 2.222 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2CCCN2CCN(CC)CC2)c1 1740562287 HQLDISKXDBNZMX-UHFFFAOYSA-N 486.624 2.424 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1cccc(CSC)c1)[C@H]1CCS(=O)(=O)C1 1740619873 AKIHSPYLQSBFCK-FQEVSTJZSA-N 470.624 2.217 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1nnc2n1CCCCC2 1740664671 YQDQSCSSFVJBOW-UHFFFAOYSA-N 453.572 2.174 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCSc2ccccc2)CC1 1740706478 USBDTBSHIXWLJW-FQEVSTJZSA-N 466.611 2.377 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1740710568 ZQEYQAJTBKSZTB-IEBWSBKVSA-N 452.584 2.228 30 10 JEEE C#CCSCCn1c(N2CC[C@@H](N3CCN(C(C)C)CC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1740722158 FBXHQMYIKJTDCS-RCZVLFRGSA-N 490.718 2.290 30 10 JEEE C=C(Br)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1740735971 CRMDSXZMFCFDGV-INIZCTEOSA-N 487.362 2.244 30 10 JEEE C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(F)cc1 1740744852 GSEGLIOJVXTHHK-MRXNPFEDSA-N 488.383 2.295 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2cn3ccccc3n2)nnc1N(C)CCCC(=O)NC 1740759451 IXTCUHHUCKUGME-JPYJTQIMSA-N 451.575 2.460 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCOC2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1740762009 QMWMTJXNFCAFQG-NSHGMRRFSA-N 467.636 2.014 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@]2(CCC(=O)N2)C1 1740988725 NOKFJURFXUVHES-HXUWFJFHSA-N 467.954 2.197 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc(CNC(=O)c2cccs2)n1Cc1cccnc1-n1cccn1 1741134532 CJTMXMAFMBWRJJ-INIZCTEOSA-N 461.555 2.494 30 10 JEEE C[C@]1(C#N)CCCN(c2nnc(CCN3CCN(c4ccccc4)CC3)n2CCCS(C)(=O)=O)C1 1741987660 GQCNCZXNMDRYOL-RUZDIDTESA-N 499.685 2.208 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CN(CC(C)C)CCO1 1748664140 CYCQQIRPEDKWHA-RBUKOAKNSA-N 473.647 2.053 30 10 JEEE C#CCN(c1nnc([C@@H]2COc3ccccc3O2)n1CCCOC(C)C)[C@H]1CCS(=O)(=O)C1 1748817140 FVQVFPNAALRILU-RXVVDRJESA-N 474.583 2.232 30 10 JEEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1748842223 HQOIGCWAOIJBQB-MRXNPFEDSA-N 454.531 2.334 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCN1CCN(C)C(C)(C)C1 1748959012 KUMYUTXDGLLVGV-UHFFFAOYSA-N 476.629 2.243 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2cccc(O)c2)CC1 1749003650 QSNIWTCVJMVWTD-RUZDIDTESA-N 467.570 2.038 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@]2(C)COCCO2)CC1 1749019289 RODHTJDBJCAEEG-XMMPIXPASA-N 487.988 2.282 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H](OC)C1 1749122249 UNCYFCKZLBTURM-DYXWJJEUSA-N 475.615 2.402 30 10 JEEE C=CCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC(CNC(C)=O)CC1 1749637908 IPUMDMQWFNWPQC-UHFFFAOYSA-N 451.619 2.181 30 10 JEEE C=CCSCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCN(C)C(=O)[C@@H]1C 1749761123 VCUUQMGRXJBFCC-NRFANRHFSA-N 483.686 2.229 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(C(=O)NC(C)C)n1Cc1ncnn1C(C)(C)C 1749803532 CGOBWXWYHGSHIQ-UHFFFAOYSA-N 479.589 2.336 30 10 JEEE CC(C)NC(=O)CN(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1nccn1C(F)F 1750989553 BOBJYJSJEKTYOV-UHFFFAOYSA-N 458.473 2.329 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2CCN2CCOC(C)(C)C2)c1 1760127730 JRTYYXIJKPEYQW-UHFFFAOYSA-N 487.608 2.431 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CC1(N(C)C)CCCC1)[C@@H]1CCS(=O)(=O)C1 1760182210 CERGEUCGPCZEGT-GOSISDBHSA-N 477.034 2.495 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@](C)(O)c1ccco1 1760203341 AXXZZHQWFILTPE-MHECFPHRSA-N 469.542 2.160 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC2=CCCOC2)CC1 1760273419 SXYDHBSSWFRWAX-OYRHEFFESA-N 498.628 2.361 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC[C@@H](NC(=O)CC)C2)nnc1[C@@]1(OCC)CCOC1 1760328181 RUTOTEWEYZIDIW-PDSFRDGWSA-N 461.607 2.406 30 10 JEEE C=C(C)COCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1760355007 VQGDVORLSVMZKU-UHFFFAOYSA-N 493.612 2.203 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 1760357395 JALVZPRYPUBPMP-ICSRJNTNSA-N 481.663 2.150 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Br)cc2)nnc1N1CCNC(=O)[C@@H]1CC 1760551694 OXOYZGXGXXWOBO-INIZCTEOSA-N 482.404 2.023 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CCN(C2CCC2)CC1 1760558689 XHCRDYMEGCAGSR-UHFFFAOYSA-N 463.579 2.272 30 10 JEEE CO[C@@](C)(Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1)C1CC1 1767987789 CLQPXHVSXLSJJG-AOMKIAJQSA-N 458.588 2.102 30 10 JEEE N#Cc1ccccc1N1CCCN(c2nnc(CC3CC3)n2CC(=O)NCC(F)(F)F)CC1 1770740303 CMGCYRWSERAXOI-UHFFFAOYSA-N 461.492 2.497 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@@H](CC(N)=O)C1 1772659985 DGOYUBBOOLXMJA-HNNXBMFYSA-N 482.006 2.300 30 10 JEEE C=CCOc1ccccc1[C@H]1C(C(=O)NC2CCCCCC2)=C(N)Oc2c1c(=O)n(C)c(=O)n2C 1865726178 JVHIUBLIGPPMJE-IBGZPJMESA-N 480.565 2.182 30 10 JEEE C=CCN(CC=C)C(=O)[C@@H](CCSC)NC(=O)c1ccc2c(c1)C(=O)N(CCCN(C)C)C2=O 1868610526 FDZCAAVTYLXVSH-OAQYLSRUSA-N 486.638 2.286 30 10 JEEE CCC[C@@H](NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1)C(=O)N(CCOC)CCOC 1868795129 JGARSFZRZWGMFP-UXHICEINSA-N 464.632 2.431 30 10 JEEE N#Cc1cccc(C(=O)Nc2nc(N3CCN(c4ccccc4)CC3)nn2[C@@H]2CCS(=O)(=O)C2)c1 1869966171 WLMPOAWQXBLFOM-OAQYLSRUSA-N 491.577 2.088 30 10 JEEE CN1C(=O)c2ccc(-n3nnc(C#N)c3NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])cc2C1=O 1870151811 MRVFOVBZJNAXHK-UHFFFAOYSA-N 451.786 2.179 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)COc2cn(CCCO)c(CN(CC)CC)cc2=O)nc1C 1870323478 SWVWTKPQJLBPGD-UHFFFAOYSA-N 492.598 2.198 30 10 JEEE COc1cc(/C=N/n2c(SCCCO)nnc2[C@@H]2CCCO2)ccc1OCCN1CCOCC1 1874451278 VRFUXXIEZCTJQY-MHIQDMOBSA-N 491.614 2.206 30 10 JEEE CC(C)N1C(=O)CS[C@@H](C(=O)NCCn2nc(C(F)(F)F)ccc2=O)[C@@H]1c1ccc(C#N)cc1 1889415918 CSHOCAKLYAEOIY-VQTJNVASSA-N 493.511 2.344 30 10 JEEE CN(C1CN(c2ccc3nnc(-c4cccc(F)c4)n3n2)C1)S(=O)(=O)c1ccc(C#N)cc1 1891356607 NLQJANQOAIHQOI-UHFFFAOYSA-N 463.498 2.311 30 10 JEEE N#Cc1cccc(N2CCN(C(=O)[C@H]3CCCN(S(=O)(=O)c4ccc(F)cc4)C3)CC2)c1 1892320074 DZOMIMDDOJOBBY-IBGZPJMESA-N 456.543 2.447 30 10 JEEE CC1(C)[C@@H](O)CC[C@]2(C)C3=C([C@H](O)C[C@@H]12)[C@]1(C)C(=O)C[C@H]([C@](C)(O)C[C@H]2OC2=O)[C@@]1(C)CC3=O 2069566414 HNPBELHZISIXLS-IODNQFHBSA-N 474.594 2.492 30 10 JEEE CN1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)NCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2180990652 GHBDRKBTRLUHHX-IBGZPJMESA-N 459.396 2.153 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)sc1CNC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)O 2256620258 GOCMKQKKXMDMDP-CJNGLKHVSA-N 454.398 2.246 30 10 JEEE Cc1c(C(=O)N[C@H](C)C(C)(C)NC(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2266996714 JIOUDCRRPGSAHD-CQSZACIVSA-N 450.389 2.449 30 10 JEEE C=C(CS(=O)(=O)N1CC[C@@]2(CN(C(=O)OC(C)(C)C)CCO2)C1)B1OC(C)(C)C(C)(C)O1 2267466823 HXWOXSWUPBISAM-OAQYLSRUSA-N 472.413 2.216 30 10 JEEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@]23C[C@H]2CN(Cc2ccccc2)C3)OC1(C)C 2267469216 RSZJMTGTQRELSJ-JTSKRJEESA-N 475.445 2.136 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1[C@@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)[C@H]2CCC[C@H]21 2268715843 LKZVWQNMTJGPSK-RFQIPJPRSA-N 464.397 2.137 30 10 JEEE CC1(C)OB(c2cnc(C(=O)N[C@H](COCc3ccccc3)C(=O)O)c(Cl)c2)OC1(C)C 2268992380 YGKTWZDFYOQWQO-QGZVFWFLSA-N 460.723 2.434 30 10 JEEE CCc1nn(C)c(C(=O)N[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2281986060 QACPLXLDPZUOJP-HNNXBMFYSA-N 462.400 2.411 30 10 JEEE Cc1nc(C(=O)N[C@@]2(CO)CCCN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2282029663 VPJLHTOFGVGFGC-QFIPXVFZSA-N 481.424 2.243 30 10 JEEE Cc1c(C(=O)NC[C@@]23C[C@@H]2CN(C(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282592419 CRNCNFQEIBIWDR-IQMFZBJNSA-N 460.384 2.015 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](CNC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)OCC12CC2 2282617247 FDVQQVAHVKEDDA-AWEZNQCLSA-N 479.408 2.341 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H]2OCCN(C(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)o3)[C@@H]2C1 2282632617 NCAMYUAKSPTACW-CVEARBPZSA-N 462.352 2.429 30 10 JEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)Nc1nc(CNC(=O)OC(C)(C)C)cs1 2282864845 LRZTYNLFEDCWFJ-UHFFFAOYSA-N 499.424 2.001 30 10 JEEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)N(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2283064534 ZQQJWCZGFPXUJY-CVEARBPZSA-N 460.384 2.493 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](C2(NC(=O)c3nccnc3B3OC(C)(C)C(C)(C)O3)CC2)C1 2283064903 YKBCLHDBIJRIAP-HNNXBMFYSA-N 458.368 2.295 30 10 JEEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)[C@@H](F)C1(O)CN(C(=O)OC(C)(C)C)C1 2284068432 DKBXUUFXAORDJY-MRXNPFEDSA-N 484.399 2.326 30 10 JEEE COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1NC(=O)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 2284146150 DYCAPRMUGKXFCR-HSZRJFAPSA-N 462.352 2.305 30 10 JEEE Cc1cc(CNC(=O)CN2CC(NC(=O)OC(C)(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2289577196 QQYINSLITBWJOA-UHFFFAOYSA-N 459.396 2.119 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)NC[C@@H]1C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C1 2310243648 CKBINWYDCCXHQG-MWDXBVQZSA-N 454.568 2.354 30 10 JEEE O=C1C[C@H](c2nnc(S)n2N=Cc2cc([N+](=O)[O-])c(O)cc2O)CN1Cc1ccccc1 2322249292 AAPYZBYIIVPCMR-AWEZNQCLSA-N 454.468 2.285 30 10 JEEE COc1cc(C=Nn2c(CNC(C)=O)nnc2SCC(=O)NC2CCCCC2)cc(OC)c1O 2330769926 DBRYZJYTCADSTE-UHFFFAOYSA-N 490.586 2.060 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H](C)CCN(C)C(=O)OC(C)(C)C)n1C 2337188742 UNHXOZNWOWZTMM-AWEZNQCLSA-N 450.389 2.403 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H](CNC(=O)OCc1ccccc1)C(F)(F)F 2337302709 YVBVOTCAXCSSHE-OAHLLOKOSA-N 496.295 2.306 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H]2CCC[C@H]12 2362338781 UEZSTWSKHSOHLF-BZUAXINKSA-N 460.384 2.237 30 10 JEEE CCCN(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nc(C)n1C)C1CN(C(=O)OC(C)(C)C)C1 2362492854 FHHAKCBPQAPIAA-UHFFFAOYSA-N 462.400 2.499 30 10 JEEE COc1cccc([C@@H]2/C(=C(/O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN(C)C)c1OC 102544143 ZIHVLBXTEVEXGF-SADKCHQCSA-N 468.506 2.458 30 10 JEEE COc1cccc([C@@H]2/C(=C(\O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN2CCOCC2)c1 135647086 ZEIKPHSQKISSED-ZHHPLPSFSA-N 480.517 2.220 30 10 JEEE COc1cccc2c(C)cc(-n3ncc(C#N)c3NC(=O)[C@@H]3CC(=O)N(CCCN(C)C)C3)nc12 170574604 ZIEPVPIIODYUTN-QGZVFWFLSA-N 475.553 2.348 30 10 JEEE CCN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)[C@@H](C)Cc1ccc(OC)cc1 520196036 VNAICRXEZLPVSC-FQEVSTJZSA-N 484.622 2.353 30 10 JEEE CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccccc3)c(=O)n2[C@@H](C)c2cccs2)CC1 608829687 HHKQWRQNGIDAEK-SFHVURJKSA-N 478.643 2.248 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)N2CSC[C@@H]2C(=O)N(C)Cc2ccco2)ccc1F 728519810 STULEEOAOFEOGD-QGZVFWFLSA-N 467.544 2.057 30 10 JEEE C#CCN(C(=O)c1ccc(NS(=O)(=O)c2ccc(OCC)cc2)cc1)[C@H]1CCS(=O)(=O)C1 729332088 SZPVIJQOCWHYGO-IBGZPJMESA-N 476.576 2.149 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)O[C@@H](C)C(=O)N[C@H]3CCN(Cc4ccccc4)C3)cc2C1=O 853260789 ICIBIJAVZKENQF-PXNSSMCTSA-N 461.518 2.405 30 10 JEEE COc1cc(C=NNc2nc(SCCC(=O)Nc3nncs3)n[nH]2)cc(OC)c1OC 1084572816 AXEYFBSSEUUQGG-UHFFFAOYSA-N 464.533 2.249 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CC[C@@H]1CCO[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1286379875 DBFFOXAMGBKOCV-NLWGTHIKSA-N 479.647 2.028 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1C[C@H](F)COC)[C@H]1CCS(=O)(=O)C1 1286388620 SKUHKEHIMPPFJN-GJZGRUSLSA-N 458.918 2.349 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1Cc1ccc(OCC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1286390494 BFDNOVUNBYKCBV-IBGZPJMESA-N 458.584 2.313 30 10 JEEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1C[C@](C)(O)C1CC1)[C@H]1CCS(=O)(=O)C1 1286395776 NFUVIGMVJNKDHJ-RDPSFJRHSA-N 472.611 2.262 30 10 JEEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC1(O)CCCCC1 1286416215 PBCAEYWWSIJCKG-UHFFFAOYSA-N 460.626 2.411 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(C)C)n1CC1(N(C)C)CCOCC1 1286452121 IXIHDKSPQAESEA-UHFFFAOYSA-N 456.566 2.306 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@H]1CCCCS1(=O)=O 1286459831 RBBRBTUJHCAEKQ-LJQANCHMSA-N 468.583 2.389 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H](C)Oc2cccc(F)c2)CC1 1286485413 KLQDTHRIDBHPBI-DXIQSLLYSA-N 457.550 2.364 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CCC(=O)N2CCCCCC2)CC1 1286490200 IIWSDBMADHRMGC-UHFFFAOYSA-N 477.613 2.407 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2C[C@@H]2CN(CC(C)C)CCO2)CC1 1286494938 WIJTYSPESLCQAH-VWLOTQADSA-N 492.668 2.386 30 10 JEEE C#CCSCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N(C)[C@H]1CCOC1 1286508185 JVVSLMWJACOOGF-QFIPXVFZSA-N 454.644 2.234 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)CNC(=O)OC(C)(C)C 1286522066 GKVOQKGDTKDRQC-DRSNIGMVSA-N 465.620 2.333 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCNC(=O)c1cc[nH]n1 1286573726 ORSVTAZVJCCXLU-UHFFFAOYSA-N 475.557 2.230 30 10 JEEE C=C(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)OC2(CCOCC2)C1)c1ccccc1 1286614963 FKQUQJNTBFAYMU-RTBURBONSA-N 475.615 2.376 30 10 JEEE C=C(Cl)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1286631934 BDMDCHTVKVGQBT-UHFFFAOYSA-N 471.009 2.260 30 10 JEEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1286683428 QTGZXRFPVLTHKW-UHFFFAOYSA-N 480.617 2.416 30 10 JEEE C=CCn1c(Cc2ccsc2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1286775101 ACGDZNYPNRNCOB-UHFFFAOYSA-N 450.615 2.392 30 10 JEEE NS(=O)(=O)c1ccc(NCC(=O)N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c(F)c1 1291911118 DGKAYRPSMVGULB-RKDXNWHRSA-N 451.364 2.474 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1Cc1ccc(C)nc1 1292116822 FCFHUGVMEANQJK-UHFFFAOYSA-N 490.616 2.188 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C2CC2)ccc1F 1300307866 JIQQIQDMKLGRQQ-MGPUTAFESA-N 461.563 2.134 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)(C)C)n2C[C@H]2CCCN2S(C)(=O)=O)c1 1300331887 SXJZQJFIRPKRGV-LJQANCHMSA-N 472.615 2.056 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1CCCn1cccn1)[C@@H]1CCS(=O)(=O)C1 1300498345 JGWPMZHHLDOGIH-OAQYLSRUSA-N 452.584 2.091 30 10 JEEE C#CCN(c1nnc(COCC)n1CC(C)(C)c1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1300504228 KRQQNJLWKBUJAU-LJQANCHMSA-N 460.600 2.428 30 10 JEEE C#CCN(c1nnc(CSc2ccc(C)cc2)n1CC(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 1300504796 SOBKETMQVGNSRQ-GOSISDBHSA-N 475.640 2.030 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(CN(CC)CC)c1 1300538536 RLULIZIIWGZGPN-QFIPXVFZSA-N 453.612 2.143 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1nnc(C)s1 1300650380 UPSNAPOQVLFLLQ-KRWDZBQOSA-N 474.587 2.362 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2CC2CCN(C(=O)OC)CC2)CC1 1300715851 GHOCPSSIFTYLRS-UHFFFAOYSA-N 494.596 2.398 30 10 JEEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1300743008 DRTSHIAREWUVEY-OCCSQVGLSA-N 465.377 2.337 30 10 JEEE C=C(Br)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1300823289 BKFNHZVQQNZHPP-UONOGXRCSA-N 460.336 2.081 30 10 JEEE C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1CC(F)(F)C1 1300848292 CMNMOVHSSVCUAS-CYBMUJFWSA-N 484.367 2.001 30 10 JEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 1300996935 KEUMMVXAJKMHSM-SFHVURJKSA-N 471.558 2.064 30 10 JEEE C=CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1301220840 FYWHWNUWRBWLLU-LJQANCHMSA-N 459.620 2.432 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 1301483304 NRHDWNAYIXNSRI-MSOLQXFVSA-N 471.558 2.421 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Br)cc2)nnc1N1CCn2nc(C)nc2C1 1301575076 BAQIJZKFCDEZSU-UHFFFAOYSA-N 492.403 2.229 30 10 JEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(CC(F)(F)F)CC1 1301611869 HSLSUMJIHXBWNR-HNNXBMFYSA-N 467.583 2.174 30 10 JEEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCOC[C@H]2OC)C[C@H]1C 1316127843 BOIGOUJYRVABNX-BVYCBKJFSA-N 454.575 2.025 30 10 JEEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCC(CC#N)CC3)n2CCC[C@H]2CCCCO2)C1 1316353561 AANXSWDDLQFCJV-UXHICEINSA-N 480.635 2.090 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1358877204 YSYQPTSYVPZZTQ-DLBZAZTESA-N 453.572 2.075 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CC2(N(C)C)CCCC2)c1 1358900448 KTYQAYMLDPCACN-UHFFFAOYSA-N 477.613 2.445 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2CCCN2CCN(CC)CC2)c1 1358901905 ZNCSEURAUYAPCT-UHFFFAOYSA-N 488.640 2.367 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CC1CCC(OC)CC1)[C@@H]1CCS(=O)(=O)C1 1358955723 RWCVRJTVHYZBCR-SKINQDTJSA-N 479.647 2.028 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Cl)n1C[C@@H]1NC(=O)CC1(C)C)[C@@H]1CCS(=O)(=O)C1 1358959092 BINWDHXYJQAKLV-QAPCUYQASA-N 476.002 2.140 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1cn2ccc(C)cc2n1)[C@H]1CCS(=O)(=O)C1 1358963620 LEGVAWFXZPXQLK-IBGZPJMESA-N 454.600 2.498 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CCN1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 1358965338 SNLCVQCFWGWJRO-GOSISDBHSA-N 475.565 2.036 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1CCc1cccc(C(=O)NC)c1)[C@H]1CCS(=O)(=O)C1 1358965722 ZZALOOFNSMQJTG-NRFANRHFSA-N 497.646 2.159 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccn2C)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1359016204 UAUYLRLISGFIQK-LJQANCHMSA-N 470.574 2.344 30 10 JEEE C#CCSCCn1c(-c2ccc3ccccc3n2)nnc1N(C)CC(=O)N1CCOCC1 1359052860 SFCRQMTZSWYSRK-UHFFFAOYSA-N 450.568 2.155 30 10 JEEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1359057328 WZEYTDGWDPXASO-BHIFYINESA-N 488.702 2.165 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1359089310 GLMXWEOZGVHILQ-VSKRKVRLSA-N 473.666 2.002 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1359092187 YBNLXTLWKAIMHK-CTNGQTDRSA-N 496.616 2.490 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CC(=O)NC(C)C 1359098292 ZNTUBPAGRYTDHV-JTSKRJEESA-N 479.585 2.134 30 10 JEEE C=CCCOCCn1c(N2C[C@H](C)O[C@]3(CCOC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1359229639 PGYGHOMSKVDQCZ-PMOQBDJRSA-N 450.580 2.296 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCCN(c2cc(OC)cc(OC)c2)CC1 1359302735 RSORNOSOQHCHNA-UHFFFAOYSA-N 491.596 2.300 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc3cccnc23)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1359329624 PBTMOEWHRLFPND-IEBWSBKVSA-N 471.583 2.334 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]1c1ccccc1C 1359333006 MDRLHPBSKLDLBA-ICSRJNTNSA-N 478.640 2.431 30 10 JEEE CC(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C(N)=O)CC1 1359759439 HZPLYUPTQPBCRV-SIKLNZKXSA-N 452.559 2.492 30 10 JEEE CN(CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1)C1CCCCC1 1503597207 AUSQRNAUNLTTBE-UWJYYQICSA-N 452.600 2.277 30 10 JEEE CS(=O)(=O)c1ccc(CCn2c(Cc3ccccn3)nnc2N2CC[C@](F)(C#N)C2)cc1 1505120541 GSSMGIZHZLIDJA-QFIPXVFZSA-N 454.531 2.352 30 10 JEEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1Cc1csc(C)c1)[C@@H]1CCS(=O)(=O)C1 1507640620 URXKPQXFWXZIKB-QGZVFWFLSA-N 489.648 2.315 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](C)N1CCc2ccccc21 1507701886 CNHRTUKLSWAHJA-IBGZPJMESA-N 459.554 2.463 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@@]2(O)CCN(C)C2)CC1 1507736864 UOAUEVCYOGRJRH-KDYSTLNUSA-N 494.640 2.067 30 10 JEEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)COc2ccc(F)cc2)CC1 1507842124 DKEJPGZTOBIMFA-UHFFFAOYSA-N 481.532 2.195 30 10 JEEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2nccnc2C)CC1 1507847917 RVFXMQYSJBEVIR-UHFFFAOYSA-N 482.614 2.287 30 10 JEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cc(F)ccc2N2CCOCC2)CC1 1507895940 FOLALHHNQOITGD-KRWDZBQOSA-N 492.621 2.315 30 10 JEEE C=CCNC(=O)Cn1c(N2CCCN(c3ccc(OC)cc3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1508096877 CRXTUFFCALVKKG-AREMUKBSSA-N 498.628 2.346 30 10 JEEE CCc1cnc(CCn2c(-c3cccc(C#N)c3)nnc2N2CCN(S(C)(=O)=O)CC2)s1 1513697599 AORCQLCTLSNMKL-UHFFFAOYSA-N 471.612 2.160 30 10 JEEE CCc1nn(C)c(CC)c1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCN1CCOCC1 1513754484 FVYRYAOGYURRJJ-UHFFFAOYSA-N 462.602 2.492 30 10 JEEE COCC[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC(=O)N(CCOC)C2)C1 1519000485 DQGYTAKMCTZSIP-WOJBJXKFSA-N 452.559 2.174 30 10 JEEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2([S@@](C)=O)CCC2)C[C@@H]1C 1519227352 FQKYAEZCMJUVEJ-HYHKQLJDSA-N 456.616 2.275 30 10 JEEE C#CC[C@]1(C(=O)NCC(=O)Nc2ccc(-n3cncn3)cc2)CCCN1C(=O)OC(C)(C)C 1536736068 MLJUYILTPMLSCY-HSZRJFAPSA-N 452.515 2.115 30 10 JEEE C#CCN(C)c1nnc(Cc2c(F)cccc2F)n1CC1(N2CCOCC2)CC(OCC)C1 1539182422 BXJSOWOJJRYSMZ-UHFFFAOYSA-N 459.541 2.486 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCc1sc(C)nc1C)[C@H]1CCS(=O)(=O)C1 1539231681 WUMVDZSIEZJWLK-IBGZPJMESA-N 487.655 2.082 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC1CCN(CCN(C)C)CC1 1539258124 QFCPYAQYYWUYDI-UHFFFAOYSA-N 470.625 2.477 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CSc3ccccc32)CC1 1539466786 HBMJWSCDCBHJKE-SFHVURJKSA-N 466.611 2.272 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccccc2OCC)nnc1N1CCS(=O)(=O)CC1 1539642978 SUXBMZFYJNRYSK-XMSQKQJNSA-N 476.599 2.472 30 10 JEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 1539721802 HYEKFUPYGGLBSY-LJQANCHMSA-N 460.623 2.484 30 10 JEEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 1539743131 WAYCVQCSLIWVJN-MRXNPFEDSA-N 459.576 2.116 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@](C)(O)c2ccccc2Cl)CC1 1539849508 XSWDARQMAVHUSL-UGKGYDQZSA-N 496.033 2.329 30 10 JEEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCOC2(CCCCCC2)C1 1540020527 KOMXRFMQKPHMPB-SFHVURJKSA-N 455.625 2.411 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1540863018 NWEAMOIFHSDBHN-AEFFLSMTSA-N 458.538 2.164 30 10 JEEE C[C@H](C#N)CN(C)c1nnc(Cc2ccc(Cl)cc2)n1CCS(=O)(=O)N1CCSCC1 1541117525 IEZAAHMEEXECDT-MRXNPFEDSA-N 483.063 2.497 30 10 JEEE C[C@@]1(C#N)CCCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCNC(=O)C2CC2)C1 1541987784 FWAYWTFOLHLUFK-QFIPXVFZSA-N 456.572 2.005 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@](C)(O)c1ccccc1Cl 1545928426 ABTLZTIKUDSEHC-ZHRRBRCNSA-N 460.966 2.486 30 10 JEEE CCc1nc(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCNC(=O)CC2)cs1 1546375064 ANHVYVRAKWCEJO-UHFFFAOYSA-N 451.556 2.317 30 10 JEEE CCO[C@@]1(c2nnc(N(C)Cc3cccc(C#N)c3)n2CCNC(=O)c2ccco2)CCOC1 1547863772 AXDCCVOSPNIYIW-DEOSSOPVSA-N 464.526 2.461 30 10 JEEE COC(=O)[C@@H]1C[C@H](O)CN(C(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)C1 1557360877 ANTPUMKJGCYRPX-AEFFLSMTSA-N 453.520 2.285 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCCNC(=O)c1cccc(O)c1 1587568433 QCXGMRZEGDTDFH-HOYKHHGWSA-N 455.559 2.302 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@@](C)(OC)C2CC2)c1 1587684242 URSIXGUMVZGDIA-XMMPIXPASA-N 452.559 2.288 30 10 JEEE C#CCN(c1nnc(C(C)C)n1Cc1ccnc(N2CCCCC2)c1)[C@H]1CCS(=O)(=O)C1 1588029349 GPPVLRZGCFRWHI-FQEVSTJZSA-N 456.616 2.462 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@H](N1CCOCC1)C(F)(F)F 1588113957 WWBVRWHAVUUNSD-FQEVSTJZSA-N 477.487 2.298 30 10 JEEE C#CCN(CCOC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cccc2c1OCCCO2 1588581623 YMDUCUWMVPPRGL-XMMPIXPASA-N 456.543 2.226 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](CC)Oc2ccccc2F)CC1 1588884785 NFPZRVDBCDIFTE-IBGZPJMESA-N 484.576 2.379 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2CCCn2cccn2)CC1 1588962159 WWZQEPBHROBYMC-UHFFFAOYSA-N 461.570 2.418 30 10 JEEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1589125462 LLSWLTIMWMZALL-RTBURBONSA-N 483.704 2.423 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](OC)[C@H](OC)C1 1589569493 PIGGXXMMQZXQNJ-LJCCNALRSA-N 461.588 2.101 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1593741233 KXHLKAYTKTUKKK-RJGXRXQPSA-N 488.677 2.391 30 10 JEEE C=CCC(C)(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCO[C@H](C(=O)NC)C1 1594491839 MBMYMGPBTMBOAR-KRWDZBQOSA-N 451.531 2.147 30 10 JEEE C=CCCOCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CC(=O)N1CCOCC1 1594829719 PENUDFITMSJBLY-IBGZPJMESA-N 492.621 2.238 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCOC[C@H]1OC 1595239715 QQOUZTLUOGNELK-YPAWHYETSA-N 474.627 2.467 30 10 JEEE COCCN(CCC#N)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H]1CCCCS1(=O)=O 1619910994 CDDJEDXNXRUYCG-SFHVURJKSA-N 475.571 2.050 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)C(=O)CNS(=O)(=O)c2c(Cl)cccc2Cl)c1 1626150739 ZYNYRYWZQDXCPK-UHFFFAOYSA-N 454.335 2.350 30 10 JEEE C#CCCCCC(=O)N1CCN(c2ccc(S(=O)(=O)N(CC)CC)cc2[N+](=O)[O-])CC1 1630839802 OBEHVPKBWLMXKG-UHFFFAOYSA-N 450.561 2.468 30 10 JEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCn1ccc(C(F)(F)F)n1 1644860427 FGJMOYSHFUSQCC-AWEZNQCLSA-N 457.478 2.316 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1CC1(N(C)C)CCOCC1 1690044101 ZNMIMWFNGLUNAQ-UHFFFAOYSA-N 459.554 2.168 30 10 JEEE C#CCN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1(N2CCOCC2)CC1 1690087397 VYAFEEOCEJVQHC-KDURUIRLSA-N 458.607 2.373 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnn(C)c2)n1CCS(=O)(=O)CC1CC1 1690089576 GFTMWJJVOJAWJB-UHFFFAOYSA-N 456.547 2.282 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@@H](C)CN2CCCC2)CC1 1690114635 BJFIIRYACWACFH-FQEVSTJZSA-N 482.629 2.458 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1690247409 AKKKTLHFJFXRCK-KPLVRAHFSA-N 477.606 2.459 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccc2OC)nnc1N1CCN(CC(=O)N(C)C)CC1 1690248430 NWHFOVWWYYTBQM-BWKNWUBXSA-N 482.629 2.069 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1690255858 XIBYNNRTLLRJSF-WTGUMLROSA-N 468.620 2.141 30 10 JEEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1690470794 LKNMQZHDSGMBLH-GFCCVEGCSA-N 459.498 2.226 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCc2ccc(OC)cc2)nnc1N1CCOC2(CCC2)C1 1690727243 XYVJTDIHFLRDBF-UHFFFAOYSA-N 460.600 2.432 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(Cc2ccsc2)CC1 1690730084 VDBUOEKAOVCBBA-UHFFFAOYSA-N 489.671 2.124 30 10 JEEE CC(=O)NC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2C[C@@H](C)O[C@H](C)C2)CCO1 1690965469 DGWYRBOTEHSQLL-PMAPCBKXSA-N 482.585 2.274 30 10 JEEE CC(C)N1CCN(C2CCN(c3nnc(-c4ccc(C#N)cc4)n3CCC(=O)N(C)C)CC2)CC1 1692494418 HGFHKQWHSHHSEL-UHFFFAOYSA-N 478.645 2.290 30 10 JEEE C[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1)N(C)C(=O)OC(C)(C)C 1692719605 BPRANJNYPDSZGU-WBVHZDCISA-N 466.608 2.176 30 10 JEEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1C[C@H]1NC(=O)CC1(C)C)[C@@H]1CCS(=O)(=O)C1 1705560804 KNJNJQUJMMGJBY-NJDAHSKKSA-N 483.638 2.361 30 10 JEEE C#CCN(c1nnc(C2CCCC2)n1Cc1ccc(C[S@@](C)=O)cc1)[C@H]1CCS(=O)(=O)C1 1705567397 VWMHFGFZNCIBNW-JCOAXYOVSA-N 474.652 2.489 30 10 JEEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1cnn(-c2ccccc2)n1 1705685635 FKVOOOGONOKBAP-MRXNPFEDSA-N 457.336 2.355 30 10 JEEE C=C(Cl)Cn1c(N2CCC[C@@H](N3CCCS3(=O)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1705760962 WPRVOHGOZRNJEE-XLIONFOSSA-N 474.027 2.076 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1705902170 IMXBAWPJRWCWJX-CALCHBBNSA-N 456.547 2.452 30 10 JEEE CCN(CC)CCCn1c(Cc2ccncc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1710062922 CQFJGXYTKVUKCY-FQEVSTJZSA-N 474.617 2.373 30 10 JEEE CCOCc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1C[C@H](C)CN1CCN(CC)CC1 1710729732 IFSGJDYKEFLEQG-OAQYLSRUSA-N 498.651 2.426 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCCn1cc(Br)cn1 1722285537 XLZUJVDVSGVCTC-AWEZNQCLSA-N 457.336 2.433 30 10 JEEE C#CCN(c1nnc(CCCc2ccccc2)n1CCC1(O)CCC1)[C@H]1CCS(=O)(=O)C1 1722372000 NTVUDGQLQARXBC-NRFANRHFSA-N 456.612 2.385 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@H](C)N2CCOCC2)CC1 1722434476 STZYZGKTQJEOSO-GOSISDBHSA-N 473.419 2.184 30 10 JEEE C=CCCCCn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1722602456 BHXMWKDYUVUHJR-UHFFFAOYSA-N 451.575 2.276 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccccc1OC(F)F 1722639821 GKHWOGZZHQSTHL-KRWDZBQOSA-N 471.530 2.077 30 10 JEEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCSC[C@H]2C)cc1 1722703301 YWJCXPCHRPZWPW-CVEARBPZSA-N 451.618 2.443 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H]1c1ccc(OC)cc1OC 1722727759 QNHVFPFOAZMZBC-RBUKOAKNSA-N 489.598 2.189 30 10 JEEE CC(C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(C)(C)CN1CCOCC1 1723085975 IDRPXVPYURTKEN-UHFFFAOYSA-N 467.618 2.384 30 10 JEEE CC1CCN([C@H](C)Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCO[C@@H](C#N)C2)CC1 1726590259 IDFIOLOAWVBZMZ-QUCCMNQESA-N 472.615 2.198 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1Cc1cc(F)ccc1OC)[C@H]1CCS(=O)(=O)C1 1740615506 GAOAAIFMHUOFAC-IBGZPJMESA-N 491.589 2.019 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1740625629 RQTHRAOCIYQBHU-FUHWJXTLSA-N 465.620 2.113 30 10 JEEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](CC)N1CCc2ccccc2C1 1740661896 LZSYSHVJRVAXIO-GHTZIAJQSA-N 458.632 2.185 30 10 JEEE C=C(Cl)Cn1c(N2CCN(c3nccc(OCC)n3)CC2)nnc1[C@]1(OCC)CCOC1 1740816316 CASFFKFGYOLWKJ-NRFANRHFSA-N 463.970 2.198 30 10 JEEE C=CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(S(C)(=O)=O)CC1 1740859087 GDNKLWQONLZCIW-UHFFFAOYSA-N 457.398 2.474 30 10 JEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1740962795 PDFUCXVJFZKOIA-ZDUSSCGKSA-N 457.526 2.009 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCc2c(ccnc2N(C)C)C1 1740990473 AUEJAOYLHZUMIL-IBGZPJMESA-N 460.604 2.144 30 10 JEEE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3ccccc3C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1741016565 IPBOCHJLYNDBNZ-MAVBTGMRSA-N 477.569 2.085 30 10 JEEE CC(C)C[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C)N(C)C 1741423834 AMNPNPWMJOOXEX-AZUAARDMSA-N 453.591 2.372 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1CCc1ccn(-c2ccc(F)cc2)n1 1741903956 GDNQEGIOXJKBCI-HZPDHXFCSA-N 474.566 2.194 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(Cl)c(F)c1 1748751537 IIUGOMCSUXKPLX-SFHVURJKSA-N 469.970 2.453 30 10 JEEE C#CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1748777675 WDHGQBNBQPWOJC-HNNXBMFYSA-N 466.405 2.367 30 10 JEEE C#CCN(c1nnc(C)n1Cc1cn2cc(Cl)cc(Cl)c2n1)[C@@H]1CCS(=O)(=O)C1 1748804102 CURIZJULIQLRBZ-OAHLLOKOSA-N 453.355 2.216 30 10 JEEE C#CCN(c1nnc([C@@H](C)CC)n1CC1(N2CCOCC2)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1748804523 ISNBRPKUHRYZPE-LEWJYISDSA-N 477.675 2.453 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CC1CCN(CC(F)(F)F)CC1 1748825125 QIEZFBGECADUCY-UHFFFAOYSA-N 459.476 2.273 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1[C@H]1C[C@H](c2cccc(F)c2)C1 1748891656 CMZODAJERRDVKM-CEMLEFRQSA-N 485.585 2.332 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(F)ccc2Br)n1CC(=O)NCCC 1748950026 DMIACXFOXYCBKM-UHFFFAOYSA-N 452.328 2.459 30 10 JEEE C#CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1749022492 BNOMCBBEWHXGJZ-HNNXBMFYSA-N 486.461 2.426 30 10 JEEE C=C(C)COCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H]1CCOC1 1749230602 ZWAZJDYPXWRFGI-ZWKOTPCHSA-N 451.568 2.404 30 10 JEEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1749415482 QYSWDIOLSCQOMF-KRWDZBQOSA-N 460.604 2.219 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1749653277 ZZIMPCABSAEKSC-VQIMIIECSA-N 489.418 2.167 30 10 JEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1760164807 AGEWFSHZLUORHI-SFHVURJKSA-N 497.600 2.099 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CC1=CCCCC1)[C@H]1CCS(=O)(=O)C1 1760181687 ZYDKPAZKWUKSTG-REWPJTCUSA-N 462.616 2.446 30 10 JEEE C#CCN(c1nnc(COc2ccc(Br)cc2)n1C[C@@H](C)OC)[C@H]1CCS(=O)(=O)C1 1760191267 DOQKYDAMTFPRRB-WBVHZDCISA-N 497.415 2.281 30 10 JEEE C#CCN(c1nnc(CSc2ccc(C)cc2)n1CC(=O)NCC1CC1)[C@@H]1CCS(=O)(=O)C1 1760191893 AWJIBVFIILGGAH-LJQANCHMSA-N 487.651 2.032 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1760193448 ZUCYQYISBWIQLJ-MTQWCTHYSA-N 464.632 2.393 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CC1CCN(CC(F)(F)F)CC1 1760208331 BBMKMQONNGREOM-UHFFFAOYSA-N 450.509 2.251 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(C)(C)N1CCCCC1 1760246094 RXKUDAAYEYZALR-UHFFFAOYSA-N 463.590 2.271 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@](C)(O)C(C)C 1760248009 XSHDEYOZSCQZEB-XMMPIXPASA-N 452.559 2.168 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCCNC(C)=O)CC1 1760265867 KPOGOOXWLOFMSF-KRWDZBQOSA-N 470.549 2.049 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@@]2(C)OCCc3sccc32)CC1 1760273084 HUVUVDHHHRHLCK-HSZRJFAPSA-N 457.600 2.330 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccc2OC)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1760320223 TZNNBSUFVYVCEG-VALFRTSSSA-N 456.543 2.295 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C(C)(C)C)C1 1760322366 RKSHJOJQLGAFQT-WCIQWLHISA-N 481.663 2.465 30 10 JEEE C=C(C)COCCn1c([C@H]2CCCCO2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1760355904 ABWLMLOPEGCMHJ-GOSISDBHSA-N 496.659 2.388 30 10 JEEE C=C(C)COCCn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1760361365 XKUMYCBJOXURAK-ZWKOTPCHSA-N 451.568 2.452 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CCCO2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1760416391 BYNCZXZHLLPDBH-GOSISDBHSA-N 464.592 2.372 30 10 JEEE C=CCN(Cc1cccs1)c1nnc(-c2cnccn2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1760486731 XSZALALVYZOBSW-INIZCTEOSA-N 459.601 2.271 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@H](C(F)(F)F)C1 1760521049 ILUXXHDFPPMABP-AWEZNQCLSA-N 475.475 2.273 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCOC2(CCCCC2)C1 1760548645 MEUASWWUMDOILT-UHFFFAOYSA-N 474.587 2.066 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1760551890 VQKDPTGKBFFTKO-ZWKOTPCHSA-N 494.017 2.455 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCS[C@@H](C(C)C)C2)nnc1[C@]1(OC(C)C)CCOC1 1760558275 LANCCEASGREHIR-NQIIRXRSSA-N 472.677 2.497 30 10 JEEE Cc1cnn(C[C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCC(=O)NC(C)C)CCO2)c1 1762186089 BLFDIMWFIHQYBY-NRFANRHFSA-N 462.558 2.142 30 10 JEEE CCn1cc(CN(C)c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCS(=O)(=O)C2)cn1 1765319724 FLNYSOVWTZHQAD-LJQANCHMSA-N 483.598 2.406 30 10 JEEE CCOCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1767728894 FFNYDYFKPYOVAY-FXAWDEMLSA-N 490.630 2.401 30 10 JEEE COCCC1(Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3c(C#N)c(C)nn3C)CC2)CCCC1 1770989348 CWMGLKTUBJRIGU-UHFFFAOYSA-N 497.648 2.253 30 10 JEEE N#Cc1ccccc1NC(=O)c1ccc(N2CCN(C(=O)c3cnccn3)CC2)c([N+](=O)[O-])c1 1860877070 SIVUAGWCPAHQTR-UHFFFAOYSA-N 457.450 2.471 30 10 JEEE C=CCN(CC=C)c1nc(NC(=O)COc2ccccc2CC)n([C@@H]2CCS(=O)(=O)C2)n1 1870004994 SKZFYTLREWVUCH-GOSISDBHSA-N 459.572 2.396 30 10 JEEE COc1ccc(-n2nnc(C#N)c2NC(=O)c2ccc(N3C[C@H](C(=O)O)CC3=O)cc2)c(C)c1 1870151551 ZHMSFAUBHVLMCO-OAHLLOKOSA-N 460.450 2.146 30 10 JEEE C=CCN=c1nc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)[nH]c(=Nc2cccc(OC)c2)[nH]1 1871664748 WOSPAODQLLFDJN-UHFFFAOYSA-N 462.514 2.300 30 10 JEEE CCN(CC)C(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1cc(Br)ccc1O 1874431194 MRALYZPJRXTEHB-ZVBGSRNCSA-N 483.392 2.225 30 10 JEEE COC(=O)Nc1ccc(S(=O)(=O)N2CCC(OCC#CCN3CCN(C(C)C)CC3)CC2)cc1 1891452808 SPQLVRXUCYGQSY-UHFFFAOYSA-N 492.642 2.064 30 10 JEEE COc1cccc(-n2nnc3c(N4CCN(C(=O)c5cc(C#N)ccc5F)CC4)ncnc32)c1 1891685769 GPTFMPHDGXQSSI-UHFFFAOYSA-N 458.457 2.192 30 10 JEEE COc1ccc(CN=C(NC[C@@H]2COCCO2)N2CCN([C@H](C)c3ccccn3)CC2)cc1 2087917985 LZWGGGZJSKLHIT-NFBKMPQASA-N 453.587 2.330 30 10 JEEE CN(CCNC(=O)OC(C)(C)C)CC(=O)NCCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2180985131 MTNQKQLFGQCNJV-UHFFFAOYSA-N 461.412 2.101 30 10 JEEE CC(C)(C)OC(=O)NCC1CN(CC(=O)NCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2185162047 JNRAKGSGNBEBNW-UHFFFAOYSA-N 459.396 2.059 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CC[S@](=O)(=NC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C1 2255637615 FDGCOPJCUAUPGZ-ZDUYTPDQSA-N 471.410 2.348 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@@H](C)NC(=O)OC(C)(C)C 2255748608 GBMPLIFOZYUMMT-OAHLLOKOSA-N 454.398 2.486 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1COC[C@H]1NC(=O)c1ccsc1B1OC(C)(C)C(C)(C)O1 2255797268 DGZJPQWYMKVLKA-UKRRQHHQSA-N 452.382 2.317 30 10 JEEE C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc(B2OC(C)(C)C(C)(C)O2)ccc1Cl 2256626557 LJRLXJFKDSLHII-FZMZJTMJSA-N 455.748 2.247 30 10 JEEE CC(C)(C)OC(=O)N1[C@H](COc2nccc(B3OC(C)(C)C(C)(C)O3)c2F)CCS1(=O)=O 2266000263 ISHROKQKOPLTOT-ZDUSSCGKSA-N 472.344 2.238 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2O)s1 2267105157 IEJYEBNBJFNVAA-CVEARBPZSA-N 466.409 2.456 30 10 JEEE Cc1csc(C(=O)N2C[C@@H](NC(=O)OC(C)(C)C)C[C@@H](O)C2)c1B1OC(C)(C)C(C)(C)O1 2267149869 BJYXZDWQCWXZFW-LSDHHAIUSA-N 466.409 2.456 30 10 JEEE C=C(CS(=O)(=O)N1CCO[C@@H]2CCN(Cc3ccccc3)C[C@H]21)B1OC(C)(C)C(C)(C)O1 2267463468 APSSDCHVROXXHH-NHCUHLMSSA-N 462.421 2.479 30 10 JEEE COC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)Oc1ccc(N)c(B2OC(C)(C)C(C)(C)O2)c1 2267814349 AZBBWCUWZRGBJC-GUYCJALGSA-N 450.341 2.402 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)C1=CCC=CC1 2268602148 GTQSUZBTHVGVDR-CQSZACIVSA-N 462.381 2.367 30 10 JEEE Cc1c(C(=O)NCC2(F)CC(NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281986218 QYYZPHHKPLYTOS-UHFFFAOYSA-N 466.363 2.153 30 10 JEEE CCc1nn(C)c(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)c1B1OC(C)(C)C(C)(C)O1 2281989740 DFRGZWNZNVPPBV-HNNXBMFYSA-N 462.400 2.363 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCCN(C(=O)OC(C)(C)C)[C@H](C)C1 2282002360 NFGKQSBBQGOUII-OAHLLOKOSA-N 462.400 2.499 30 10 JEEE Cn1cc(C(=O)N2C[C@@H]3CC[C@H](C2)C3NC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2282034923 OKFUVYWPDVCSPR-FKEKPDDDSA-N 460.384 2.095 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@]23CCCN(C(=O)OC(C)(C)C)C[C@@H]2C3)n1 2282037150 RMRRLUVBZYGZHZ-WNSKOXEYSA-N 460.384 2.239 30 10 JEEE CC(C)[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282044611 UZQJFKNEJJEFDO-KRWDZBQOSA-N 462.400 2.437 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N=[S@@]1(=O)CC[C@@H](CNC(=O)OC(C)(C)C)C1 2282192083 SIDKBFORVNURFU-NJHFVCTFSA-N 481.424 2.477 30 10 JEEE Cn1nc(C(=O)N2C[C@@H]3CCN(C(=O)OC(C)(C)C)[C@@H]3C2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2282548340 XBSUVZBAKFFJMY-UONOGXRCSA-N 480.802 2.454 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CC12CCC2 2282625082 QLCZBXWIMHMPBR-INIZCTEOSA-N 458.368 2.295 30 10 JEEE Cc1cc(C(=O)N2C[C@H](O)C[C@H]2CNC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2282695846 UOUBQYUDXIPACR-ZWKOTPCHSA-N 460.380 2.394 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](O)CN1c1ccc([N+](=O)[O-])c(B2OC(C)(C)C(C)(C)O2)c1 2282934089 NGLGHWZFHLIYCS-HOTGVXAUSA-N 463.340 2.358 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)CN(C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)C2 2283064416 ZLPREUXOOCJPFT-IYBDPMFKSA-N 458.368 2.105 30 10 JEEE C[C@@H](OC(C)(C)C)[C@H](NC(=O)OC(C)(C)C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2283976193 ZWXLNMIXPNERIS-OLZOCXBDSA-N 484.428 2.295 30 10 JEEE COc1ccc(C(O)=C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(O)cc2)cc1C 2297742597 OOKFRXWHUVWLJV-JOCHJYFZSA-N 452.507 2.463 30 10 JEEE 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)ncn1C 2362354212 QSBAFKRPRFNSQI-HZPDHXFCSA-N 462.400 2.437 30 10 JEEE COc1nc(O[C@@]2(CNC(=O)OC(C)(C)C)CCN(C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2365376929 XOTPJPNQLOQZLW-HSZRJFAPSA-N 463.384 2.367 30 10 JEEE Cc1cc(CNC(=O)[C@H]2COC[C@@H]2NC(=O)OC(C)(C)C)cc(B2OC(C)(C)C(C)(C)O2)c1 2369675218 DRWSJULKRODXFF-OALUTQOASA-N 460.380 2.450 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(S(=O)(=O)N[C@@H](C)COC)cc3)cc2C1=O 14937016 OFGREHHQXUOVCT-AWEZNQCLSA-N 457.508 2.034 30 10 JEEE C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](N(C)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 204866571 YTIOHAGRLOMMEZ-SJLPKXTDSA-N 489.426 2.116 30 10 JEEE C#CCN(C(=O)c1cccc(S(=O)(=O)Nc2cc(Cl)ccc2OC)c1)[C@H]1CCS(=O)(=O)C1 729330950 JDSTUWWYBWLKEC-KRWDZBQOSA-N 496.994 2.412 30 10 JEEE C#CCN(C(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)[C@@H]1CCS(=O)(=O)C1 729332323 XNTXNACFELGSQJ-MRXNPFEDSA-N 473.473 2.479 30 10 JEEE C/C=C\C[C@H](C)[C@H](OC(C)=O)[C@H](C=O)N(C)C(=O)[C@H](NC(=O)[C@H](CC(C)C)NC)C(C)C 1083142264 JAUFAMFQTMVIEO-JWYAWTJQSA-N 453.624 2.321 30 10 JEEE COc1cc([C@H](C)NCC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)ccc1OCCO 1168611261 AKUFRDSDVRZHFZ-HKUYNNGSSA-N 458.584 2.187 30 10 JEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCNC(=O)[C@H](C)CCC 1286363531 VALPWVOSNGLPNY-MRXNPFEDSA-N 459.620 2.168 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCC1(COC)CCC1)[C@H]1CCS(=O)(=O)C1 1286389510 LFAGCWYLGFEWPO-IBGZPJMESA-N 457.600 2.482 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccccc1Cl)N(C)C 1286409994 QEYZHWBSMBBFHI-YLJYHZDGSA-N 460.003 2.209 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccc(F)c(C)c2)CC1 1286488773 SZRYVGSCLKBCIF-RUZDIDTESA-N 469.561 2.392 30 10 JEEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1286603786 KXVLELWHOONSJH-GOSISDBHSA-N 460.966 2.414 30 10 JEEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1286683444 QXGIMEWJRLCVFQ-SFHVURJKSA-N 466.546 2.048 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CC[C@@H](CN2CCCCC2)C1 1286820317 JIVCXTPCXMSWMD-PMACEKPBSA-N 451.637 2.433 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCO[C@@H](Cc2ccccc2)C1 1286821870 CLJKIIAFRGNNEO-QFIPXVFZSA-N 467.595 2.313 30 10 JEEE CC(=O)N1CC[C@@H](CN(C)c2nnc(COc3ccc(C#N)cc3)n2CCN2CCCC2)C1 1286847973 CTBGWIQEPKQDLV-NRFANRHFSA-N 451.575 2.129 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H]2C[C@H](S(=O)(=O)c3ccccc3)C2)ccc1F 1288021105 MJCCKGVKUOPUPT-JCNLHEQBSA-N 452.529 2.025 30 10 JEEE C[C@@]1(C#N)CCCN(c2nnc(CN3CCCC3=O)n2CCNC(=O)Cc2cccc(F)c2)C1 1288981565 DYKPRRSQXYYLQM-DEOSSOPVSA-N 467.549 2.029 30 10 JEEE CCC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCS(=O)(=O)C2)CCN1CCOC 1294066107 FQQREBIGOCOHEO-RBBKRZOGSA-N 486.642 2.189 30 10 JEEE C#CCCCn1c(N(C)CCN2C(=O)c3ccccc3C2=O)nnc1[C@@]1(OCC)CCOC1 1300423688 SZKYATKCUCUFAP-XMMPIXPASA-N 451.527 2.076 30 10 JEEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1Cc1ccc(NC(C)=O)nc1 1300439434 DDWQRIMODZWLIZ-UHFFFAOYSA-N 450.499 2.442 30 10 JEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1[C@@H]1CCC[C@H](C(F)(F)F)C1)[C@H]1CCS(=O)(=O)C1 1300478809 BZHWGRKYDSKASY-BBWFWOEESA-N 487.548 2.434 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cnn(-c3ccccc3)c2)n1Cc1ccc(C)n(C)c1=O 1300663975 JZIVNQSBJMPIBR-UHFFFAOYSA-N 457.538 2.272 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCC2(CCCCC2)O1 1300672392 ZWXLRAHTGASJPH-RTBURBONSA-N 450.605 2.148 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCc2n[nH]c(C)n2)CC1 1300718840 YGQPKHOEGCXAAC-UHFFFAOYSA-N 470.940 2.373 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2Cc2cccc(NC(=O)OC)c2)CC1 1300727083 VOJNJYOZBDRCAM-UHFFFAOYSA-N 487.564 2.456 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCC(F)(F)CC1 1300805420 CFIJMXUJEKRLBW-FXAWDEMLSA-N 471.574 2.429 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccn2C)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1300880623 JGTNCFKEMQWCFI-OFNKIYASSA-N 469.634 2.255 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(C)cc2OC)CC1 1301127153 ZMJKJJIOCQXNKJ-NRFANRHFSA-N 475.615 2.379 30 10 JEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](Oc2ncccc2F)C1 1301257939 HGSNBRZSDPDTLC-QZTJIDSGSA-N 479.578 2.355 30 10 JEEE C=CCn1c(-c2ccccn2)nnc1N1C[C@H](NC(=O)OC(C)(C)C)C2(CCS(=O)(=O)CC2)C1 1301447184 UUGLSSLZQLMFOL-SFHVURJKSA-N 488.614 2.434 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(C)n(C)c2=O)C1 1301567436 WJYZVLWBXPICHM-SFHVURJKSA-N 468.583 2.106 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCCC(C)(C)C 1303861001 CXRXRLHTUVMXHG-IAGOWNOFSA-N 489.650 2.091 30 10 JEEE CCC(CC)(Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)NC)CC1)OC 1305698897 CTFJFKUXBYPIFA-UHFFFAOYSA-N 455.563 2.395 30 10 JEEE CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1)Oc1ccccc1F 1305804545 HWWXWIABLLUEAU-BXTJHSDWSA-N 468.530 2.327 30 10 JEEE CCS(=O)(=O)N(C)CCCn1c(-c2cc3ccccc3o2)nnc1N1CCO[C@H](C#N)C1 1314540960 FGRHYCMDWXCEKZ-QGZVFWFLSA-N 458.544 2.092 30 10 JEEE COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)c1ccc2c(c1)OCO2 1316101234 FNERYFWKEVYOFD-QGZVFWFLSA-N 489.598 2.253 30 10 JEEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CCCc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1358956255 CMYRSVMVSGNFSB-HYBUGGRVSA-N 490.601 2.329 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCC[C@H]1OC)[C@@H]1CCS(=O)(=O)C1 1358958276 KOJIZRVLJCCVPL-DFQSSKMNSA-N 473.555 2.295 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccc(CN(CC)CC)cc1)[C@@H]1CCS(=O)(=O)C1 1358963951 QIZIRLQLVPRMSN-XZOQPEGZSA-N 485.654 2.299 30 10 JEEE C#CCN(CCOC)c1nnc(C2(c3ccccc3)CCC2)n1C[C@H]1CCCN1S(C)(=O)=O 1359019104 KMFSRXXRPGHDHR-OAQYLSRUSA-N 471.627 2.258 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CCn2cc(Cl)cn2)CC1 1359046291 LZOIAMWIYCIPIH-UHFFFAOYSA-N 473.006 2.150 30 10 JEEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1359059283 ICMULOOWQRECGW-KRWDZBQOSA-N 482.701 2.108 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1359096039 WBZMUNZTNQPSQU-BWAGFHJFSA-N 485.585 2.285 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(C)C)C(=O)C1 1359103107 KBNVBHJANPGKRV-NFBKMPQASA-N 455.607 2.426 30 10 JEEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C2CC2)C1 1359117258 PJYXCIYDIAVKNO-HYVNUMGLSA-N 468.624 2.204 30 10 JEEE C=CCC(C)(C)Cn1c(N2CCN(C(=O)N3CCOCC3)CC2)nnc1[C@@]1(OCC)CCOC1 1359192779 NZBFWLBYYGSGBM-XMMPIXPASA-N 476.622 2.107 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1359304212 QHCBHVUCSQVMRO-FQEVSTJZSA-N 475.557 2.081 30 10 JEEE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3cccc(C#N)c3)n2CCCNC(=O)C(C)C)C1 1359357655 KVQPVTWHHYEJJF-FQEVSTJZSA-N 451.575 2.284 30 10 JEEE CC(C)NS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1360315065 ASBRFGOVLGIMSV-LEWJYISDSA-N 488.614 2.297 30 10 JEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1507576549 MMQQVSGKXCPNHQ-QUCCMNQESA-N 456.616 2.282 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1CCCOc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1507627770 FYFIRTIEBLARMP-LJQANCHMSA-N 451.552 2.436 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCCCOCC)[C@@H]1CCS(=O)(=O)C1 1507630173 ZQRMWNGUVKAWDS-QGZVFWFLSA-N 451.980 2.437 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1cccc(CN(C)C)c1)[C@@H]1CCS(=O)(=O)C1 1507634231 XRARCXBVXYVVLD-YADHBBJMSA-N 471.627 2.256 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnn(C)c3)n2Cc2ccncc2Cl)n1 1507716476 LQFXVWGGGLXFSC-UHFFFAOYSA-N 465.949 2.258 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2CC(C)(C)N2CCC(OC)CC2)CC1 1507738115 KBLUEOKOJWNLAN-UHFFFAOYSA-N 456.635 2.401 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@H](F)COC)CC1 1507740561 NNPNVJWXJFPUGU-HXUWFJFHSA-N 457.550 2.424 30 10 JEEE C#CCSCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1507745656 DRVNZVOCGABRSK-FRQCXROJSA-N 462.547 2.284 30 10 JEEE C=C(C)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1507828882 NNCGUJMPDHWBFT-UHFFFAOYSA-N 454.575 2.329 30 10 JEEE C=C(C)COCCn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1507844860 RHOWBMOCUUTDHH-RTBURBONSA-N 455.625 2.220 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(CC)Cc1c(F)cccc1F 1508139711 DAIAYWCQEFUZRJ-QGZVFWFLSA-N 453.515 2.135 30 10 JEEE C=CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@@H](NC(C)=O)C1 1508155295 LJQYZRVRWHWSKV-QGZVFWFLSA-N 467.599 2.216 30 10 JEEE CC(C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCN1CCN(C)C(C)(C)C1 1508994984 BUKFJPZTNNJOFS-UHFFFAOYSA-N 451.623 2.021 30 10 JEEE CN(CC(=O)N1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1CCCC1CCOCC1 1517073835 HUMIFDBDYBWZFU-UHFFFAOYSA-N 452.559 2.319 30 10 JEEE C=CCc1cc(C(=O)N[C@@H]2CCS(=O)(=O)C3(CC(C(=O)OC)C3)C2)cc(OC)c1OC 1537443591 XQACJKHHWYXEGH-PSCUFVCCSA-N 451.541 2.061 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCCO3)n2CC(C)(C)C(=O)NC)c1 1539042210 CTANLMCRUTXGOM-IBGZPJMESA-N 452.559 2.348 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2C[C@H]2CCCN2CCCO)c1 1539043429 QNDSKOYOLYGVAV-FYYLOGMGSA-N 480.613 2.075 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1CCc1ccccc1OC(F)F)[C@@H]1CCS(=O)(=O)C1 1539215575 FVCNHBUXAQAKKU-QGZVFWFLSA-N 488.520 2.206 30 10 JEEE C#CCN(c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@H]1CCC(=O)N1)[C@@H]1CCS(=O)(=O)C1 1539229870 IXCIHLODVPJXTO-WOJBJXKFSA-N 499.637 2.194 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(c2ccccc2)CCOCC1 1539266895 VASUQXJFRMLPSP-FQEVSTJZSA-N 452.580 2.001 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2ccccc2OC)n1Cc1cccnc1N1CCOCC1 1539271492 DCJNUVIXAAFPHW-UHFFFAOYSA-N 456.550 2.230 30 10 JEEE C#CCSCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1539496481 GNCDFWSFUKNVCB-INIZCTEOSA-N 486.573 2.444 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)[C@H]1CCOC1 1539620279 KEEZMGACHJALHB-DYXWJJEUSA-N 475.615 2.402 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(C)CCO[C@H]1C1CC1 1539668812 GOLWUVOERPRELX-CNNODRBYSA-N 467.636 2.219 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c(-c2cccn2C)nnc1N1CCN(C(=O)NC)CC1)C(C)C 1540152180 QQIKFTVRSJFNOI-NRFANRHFSA-N 454.623 2.444 30 10 JEEE C=CCOc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(F)(F)CC2)cc1 1540877910 JCTWJBHXNXRAOD-LJQANCHMSA-N 497.568 2.460 30 10 JEEE COCCN1C[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H](COC)C2)CC1=O 1555573335 AREYWFUQLLOWRX-PMACEKPBSA-N 452.559 2.174 30 10 JEEE N#Cc1ccc(N2C[C@H](C(=O)Nc3ccc([C@@H]4CC(=O)NC(=O)N4)cc3)CC2=O)cc1Cl 1585502536 DPEACICPNRSJTE-KDOFPFPSSA-N 451.870 2.474 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCOC[C@H]2C)c1 1587683364 IMQKJMSBFHPZLS-UYAOXDASSA-N 464.570 2.243 30 10 JEEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 1587697324 NTHOFRQORZYMTL-FGZHOGPDSA-N 483.661 2.135 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1coc(-c2cccs2)n1 1588228914 NCUPSLJOZKJRHX-INIZCTEOSA-N 455.565 2.408 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(O)CCCCCC1 1588612752 KOCLVHADSVDPKZ-UHFFFAOYSA-N 450.547 2.092 30 10 JEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 1588969165 WDVLYTSGDKBRAU-LJQANCHMSA-N 472.659 2.355 30 10 JEEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(C)C)C(=O)C1 1589110785 ZPENTFHKTFDETM-UHFFFAOYSA-N 452.584 2.400 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C(F)F)C1 1589544472 HVAYJKNVFUMQBD-TVFCKZIOSA-N 489.589 2.074 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(S(C)(=O)=O)CCC1 1595115303 HNSJIERHOLMHNI-IBGZPJMESA-N 478.640 2.340 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1595772423 AGBCYJLOWMAASJ-FQEVSTJZSA-N 483.953 2.369 30 10 JEEE C=CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(NC(C)=O)CC1 1595871001 CCLAEUYNMQUTHL-UHFFFAOYSA-N 467.599 2.216 30 10 JEEE CN(CCn1cccn1)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCCS1(=O)=O 1618292345 HTCWQNFTDABNTI-HXUWFJFHSA-N 469.571 2.029 30 10 JEEE C#CC1(O)CCN(C(=O)c2ccc(N3CCCCC3)c(S(=O)(=O)N3CCCCC3)c2)CC1 1630038490 DSNWJAZPMOXJHI-UHFFFAOYSA-N 459.612 2.452 30 10 JEEE C[C@H](CC(=O)N1CCOC[C@H]1CC(=O)c1ccccc1)/N=C1/NS(=O)(=O)c2ccccc21 1631033319 DPTGZXPMCZTHDJ-SJLPKXTDSA-N 455.536 2.004 30 10 JEEE COC(=O)c1oc(S(=O)(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)cc1C 1664303085 DEEIMWNXXACWPJ-UHFFFAOYSA-N 455.496 2.147 30 10 JEEE C=C(C)COCCNC(=O)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 1680423686 FZEGXZVEUZAXRG-UHFFFAOYSA-N 452.396 2.119 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1CC1(O)CCS(=O)(=O)CC1 1689831714 QBMNDJAIKANQJC-AWEZNQCLSA-N 467.389 2.105 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2CC(C)(C)N2CCOCC2)c1 1689870639 VESAPRUYMVHUOF-UHFFFAOYSA-N 475.597 2.451 30 10 JEEE C#CCCCn1c(COc2ccccc2OC)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1689939779 CFXOJCBWDAOYJC-IRLDBZIGSA-N 480.613 2.268 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CCCC(=O)NC1CC1)[C@@H]1CCS(=O)(=O)C1 1689983595 DEWMDUAPXAKNIQ-OAQYLSRUSA-N 469.611 2.193 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCO[C@@H]1CCOC1 1690077606 SFAVVWCYHCTSJH-MOPGFXCFSA-N 463.579 2.242 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@@H](c2cccc(OC)c2)N(C)C)CC1 1690141835 CLZBAABANIBESJ-QHCPKHFHSA-N 488.596 2.012 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCN(CCOC)C(=O)C1 1690253468 QYQYSLIPQZZLLR-JPYJTQIMSA-N 473.549 2.272 30 10 JEEE C=C(C)COCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(C(=O)NC)CC1 1690303347 XLGMAQNJNAXCRZ-UHFFFAOYSA-N 474.562 2.025 30 10 JEEE C=CCNC(=O)Cn1c(N(CC)C[C@@H]2CCCO2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1690677102 MXWBNFKDOFWWTQ-KSZLIROESA-N 462.595 2.356 30 10 JEEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 1695437675 BMLUWLYLFWRCTA-OAQYLSRUSA-N 499.641 2.174 30 10 JEEE CCO[C@@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2Cc2cccnc2OCC(F)F)CCOC1 1696050541 BOQMHVJJMAVRCH-RTWAWAEBSA-N 466.464 2.459 30 10 JEEE CNC(=O)CCN(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1ccc(N2CCCC2)nc1 1696995750 CBSICTSAGIPNSV-UHFFFAOYSA-N 474.569 2.345 30 10 JEEE C#CCN(c1nnc(C(C)C)n1CC1(N2CCC(OC)CC2)CCCC1)[C@H]1CCS(=O)(=O)C1 1705562268 ZDGXEAJKQYVDOE-FQEVSTJZSA-N 477.675 2.452 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccc(Cl)c2C)CC1 1705643850 BVVZVGSZQZHCAZ-UHFFFAOYSA-N 456.978 2.392 30 10 JEEE C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)CCC 1705687291 CMHRNJCCXAWVQB-UKRRQHHQSA-N 464.430 2.392 30 10 JEEE C=C(Br)Cn1c(N2CCN3C(=O)OC[C@@]3(C)C2)nnc1[C@]1(OC(C)C)CCOC1 1705692156 BBKFKNKGMGWRFD-MOPGFXCFSA-N 470.368 2.258 30 10 JEEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1705735435 QPOVWGSFBXOIRX-IBGZPJMESA-N 457.579 2.198 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCC(=O)N2)n1CCN1CCOC[C@H]1C 1705856970 MMJUPMBEUFCHNZ-WIYYLYMNSA-N 454.575 2.151 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCN2CCCO[C@@H](C)C2)C1 1705916085 YMYOTQMNNSDJHR-VQTJNVASSA-N 469.590 2.208 30 10 JEEE CO[C@@H]1COCC[C@@H]1Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N(C)[C@@H](C)CC#N 1712095960 CXJKXLJWZUBPEZ-WMTXJRDZSA-N 481.645 2.433 30 10 JEEE N#Cc1ccc(OCc2nnc(N3CCC[C@H](N4CCCC4)C3)n2CC(=O)NCC(F)F)cc1 1712880215 BFOJGTNENYVMOW-SFHVURJKSA-N 473.528 2.175 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1nnc(C)s1 1722293221 ZHQPRMNKADYXTI-ZBFHGGJFSA-N 461.592 2.447 30 10 JEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CC[C@H](C)c1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1722360172 ZTFRGCVEHHGULE-PZJWPPBQSA-N 499.637 2.343 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1CCNC(=O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1722363380 RUSWVABFUWBEGB-MRXNPFEDSA-N 481.981 2.137 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1ccccc1COCC)[C@H]1CCS(=O)(=O)C1 1722365550 FNCWOMWKISYFOB-VXKWHMMOSA-N 472.611 2.384 30 10 JEEE C#CCN(c1nnc(COCC)n1C[C@@H]1CCCN1Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1722369532 AOPYSTREHYRPJL-FCHUYYIVSA-N 471.627 2.106 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H](SC)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1722370326 NEKINQBVWJVJDE-RDGPPVDQSA-N 484.688 2.407 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H](c1ccccc1)N1CCOCC1 1722391829 VUMKWHATCCSQLV-RPLLCQBOSA-N 477.609 2.467 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2C[C@]2(O)CCSC2)CC1 1722431996 UQOGYFMEWIPVFS-YADARESESA-N 471.627 2.440 30 10 JEEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1722538446 PSRIJZOMLOUKAG-UNMCSNQZSA-N 467.574 2.188 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CC=C(C(F)(F)F)CC1 1722726950 HFWWVWWDQKIQLV-UHFFFAOYSA-N 473.477 2.305 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1722730858 FRYUCZMKRPHJMB-SFHVURJKSA-N 461.588 2.043 30 10 JEEE COc1ccc(CCn2c(-c3cccnc3)nnc2N2CCO[C@H](C#N)C2)c(OC)c1OC 1730128817 DZKGVLVZIUUDJW-GOSISDBHSA-N 450.499 2.337 30 10 JEEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(CC(F)(F)F)CC1 1740589075 NZXDBKIWKFFBMA-UHFFFAOYSA-N 459.476 2.290 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1C[C@]1(C)COCCO1)[C@H]1CCS(=O)(=O)C1 1740620167 OKZUHJWODMLCPW-HTAPYJJXSA-N 495.001 2.039 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@H](C)N1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1740623393 SOOYZUONOOZKSW-RTWAWAEBSA-N 470.643 2.396 30 10 JEEE C#CCN(c1nnc(COc2ccccc2CC)n1Cc1nnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1740628242 OQZCFYMNHRANEJ-GOSISDBHSA-N 486.623 2.254 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(c2ccc(F)cc2)CCOCC1 1740645605 JENLVZBGDHLRCP-IBGZPJMESA-N 487.601 2.239 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC2(O)CC(OCC)C2)CC1 1740700262 MBMHFSLPTSZDLQ-CMAULLTDSA-N 488.633 2.035 30 10 JEEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCN([C@H](C)c2nc(CC)no2)CC1 1740719883 UAVYFEHEMLJHCN-GOSISDBHSA-N 466.615 2.459 30 10 JEEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 1740724060 XGTXCNQZTLOJOM-HXUWFJFHSA-N 454.600 2.257 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCOc2ccccc2C)CC1 1740839422 JIFDPTXPRKYFMP-NRFANRHFSA-N 475.615 2.401 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(F)c(F)c1 1740932006 DXNFAMGZNZPYEB-IBGZPJMESA-N 467.542 2.310 30 10 JEEE C=CCOc1ccc(Cn2c(COCC)nnc2N2CCN(C(=O)[C@H]3CCCO3)CC2)cc1 1740967606 LMSYDCNKFQKDAF-OAQYLSRUSA-N 455.559 2.255 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cn(C)c3ccccc23)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1740990790 ZWWKYSBJKJNSFE-KRWDZBQOSA-N 491.639 2.051 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CC[C@](C)(O)c1ccccc1 1741929721 BCZOLNNQOMHOQO-WTOYTKOKSA-N 460.604 2.316 30 10 JEEE CC[C@H](C)N(C)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@](F)(C#N)C1 1743857845 FIDMOGVMWJXFPJ-HTAPYJJXSA-N 477.610 2.368 30 10 JEEE CC[C@@H](C)NC(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1743893498 AIOCUZNGGOTLJM-KNQAVFIVSA-N 492.628 2.118 30 10 JEEE CCS(=O)(=O)N(C)CCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(C#N)CC1 1747425363 FQZDEJCPIFWLHH-UHFFFAOYSA-N 474.587 2.128 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CCOc1ncccc1Cl)[C@H]1CCS(=O)(=O)C1 1748818761 FXPLKTUZQYAVCS-SFHVURJKSA-N 486.985 2.018 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1749101319 ABRDLOBNDIQFKX-VXGBXAGGSA-N 452.275 2.195 30 10 JEEE C=C(Br)Cn1c(N2CCC(C(=O)NC)CC2)nnc1[C@]1(OC(C)C)CCOC1 1749112482 JKBJQMQCRGVILZ-IBGZPJMESA-N 456.385 2.190 30 10 JEEE C=CC[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCC(OCC(N)=O)CC1)c1ccccc1 1749377246 PDIWZAFWSLWONI-FQEVSTJZSA-N 466.586 2.345 30 10 JEEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)C(C)(C)C)C[C@@H](C)O1 1749576554 HDGDPWTXCYKIIC-XLIONFOSSA-N 470.574 2.131 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCSC1 1749590607 BOEWFRIWDGZUAJ-IEBWSBKVSA-N 481.644 2.192 30 10 JEEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCN(CCN2[C@H](C)CC[C@H]2C)CC1 1749640291 MCUZGLPMQVSKGB-RTBURBONSA-N 457.648 2.450 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CCCN(C(=O)C2CC2)CC1 1749659222 YPMIGUAWXBDKTJ-UHFFFAOYSA-N 487.402 2.459 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(Cc2ccccc2C)CC1 1749733706 ACUHPLDBQOCNCQ-NRFANRHFSA-N 459.616 2.013 30 10 JEEE CC(C)C(=O)NC[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCS(C)(=O)=O)C1 1750557439 FHLLEYSRGNUZGK-LJQANCHMSA-N 472.615 2.240 30 10 JEEE CC(C)N(C)CCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1751234550 CAQFRRSXVYVZFH-WIYYLYMNSA-N 489.646 2.068 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@H](C)SC)[C@@H]1CCS(=O)(=O)C1 1760180465 FZEYMARYUSRIRL-NVXWUHKLSA-N 494.639 2.349 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2ccccc2F)n1CCC(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 1760181185 QRURWFITWHVRAC-QZTJIDSGSA-N 491.589 2.099 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC(C)(C)N1CCC(OC)CC1)[C@H]1CCS(=O)(=O)C1 1760189177 SAJINJQQDPRLPF-FPOVZHCZSA-N 493.674 2.036 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H](C)OC)[C@H]1CCS(=O)(=O)C1 1760192952 PVQDGHFLNOJHCP-BZSNNMDCSA-N 481.619 2.012 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1760248785 QKTJCGBLQNEIGO-OALUTQOASA-N 454.579 2.106 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(OC)cc3)n2CCC(=O)NC(C)(C)C)CC1 1760273371 QSRNYNFPFPNWSK-UHFFFAOYSA-N 496.612 2.136 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(c2ccccc2)CC1 1760357975 PXIOFPDZGLCJQN-HXUWFJFHSA-N 459.616 2.490 30 10 JEEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(C(=O)NCCC)CC1 1760507370 BFPOVXHRHJILIC-UHFFFAOYSA-N 460.604 2.124 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CC1CC(F)C1 1760522844 ZOTNUGCURIOQAU-JCYILVPMSA-N 466.558 2.073 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCCN(CCC)C(=O)C1 1760554302 YZUPRRXOQVAPGN-UHFFFAOYSA-N 497.625 2.180 30 10 JEEE C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCO[C@H](C#N)C2)n1CC1CCS(=O)(=O)CC1 1761522238 FYNDWLMSKLWHGT-DNVCBOLYSA-N 463.535 2.111 30 10 JEEE C[C@H]1CN(CCCn2c(COc3ccc(C#N)cc3)nnc2N2CCCOCC2)C[C@@H](C)O1 1763207474 DQQDMKXEZIXEQW-BGYRXZFFSA-N 454.575 2.455 30 10 JEEE CCCNC(=O)c1cccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@@](C)(C#N)C2)c1 1766200990 HCURVMHWLGSJIC-YKSBVNFPSA-N 484.626 2.498 30 10 JEEE CN(C)C(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1768437864 FONTVWXSHJIJGG-KRWDZBQOSA-N 477.491 2.190 30 10 JEEE CCN(CC)CCNC(=O)c1ccc(-n2nnc(C#N)c2NS(=O)(=O)c2ccc(F)cc2)cc1 1870098625 NZLMWWBAZYXHQH-UHFFFAOYSA-N 485.545 2.150 30 10 JEEE C#CCN(C(=O)[C@@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 2080578638 IWZGESRLURZRNQ-MSOLQXFVSA-N 451.564 2.218 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)NCC1(CO)CN(C(=O)OC(C)(C)C)C1 2081961972 PTMYBUSHWDYTGQ-MRXNPFEDSA-N 454.568 2.309 30 10 JEEE CC1=C(B2OC(C)(C)C(C)(C)O2)CN(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)CC1 2201807622 YMKSAYHQNYRIRG-KRWDZBQOSA-N 486.440 2.495 30 10 JEEE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@@H](CNS(=O)(=O)CC2(C#N)CCOCC2)C1 2205549121 OCMALIQICWFTBK-NRFANRHFSA-N 492.642 2.348 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@](O)(CNC(=O)c2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2255642839 MHKWIFQLKQMSAU-NRFANRHFSA-N 452.382 2.149 30 10 JEEE Cc1csc(CNC(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2256678770 GYDAWDNXGZFFSL-CQSZACIVSA-N 454.398 2.248 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NC[C@@H]2C[C@H]3COC[C@H]3N2C(=O)OC(C)(C)C)C1 2266482763 PEAXFUDMVYUZIA-UUDJQVRQSA-N 463.575 2.434 30 10 JEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O 2267130395 NYPJVIDZRDPEEB-CVEARBPZSA-N 466.409 2.456 30 10 JEEE COCC[C@@H](CNC(=O)c1nc(C)sc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2267169069 WBCNDBSYPIMJCR-AWEZNQCLSA-N 469.413 2.410 30 10 JEEE C[C@@H](CCCN(C)C(=O)OC(C)(C)C)NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2267190408 NXZINVSIKDJACR-HNNXBMFYSA-N 450.389 2.485 30 10 JEEE Cc1nc(C(=O)NC[C@@H]2CCCCN2C(=O)C(F)(F)F)c(B2OC(C)(C)C(C)(C)O2)s1 2267485030 CUHUDCJVFQDMOB-LBPRGKRZSA-N 461.315 2.424 30 10 JEEE CC1(C)OB(c2scnc2C(=O)N2C[C@H]3CC[C@H]2[C@H](NC(=O)C(F)(F)F)C3)OC1(C)C 2267486006 IKACCERJAUSPGC-TUAOUCFPSA-N 459.299 2.114 30 10 JEEE CCOC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2268612330 GIFNQSXUMKKMIQ-HNNXBMFYSA-N 453.320 2.388 30 10 JEEE CC(C)(C)OC(=O)NCCN1CCN(c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)CC1 2268993208 HJZVSNLGBBOBRD-UHFFFAOYSA-N 450.364 2.167 30 10 JEEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)N(C(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)C1 2281829383 XUHOYVSIKJQUQD-HZPDHXFCSA-N 462.400 2.437 30 10 JEEE Cc1cnc(C(=O)N[C@@H]2COCCN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2281954359 AQBPOUQVNUKVHT-INIZCTEOSA-N 461.368 2.055 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H]2CN(C(=O)c3ncc(B4OC(C)(C)C(C)(C)O4)cn3)CC[C@@H]21 2282030100 AJYYVCNQJRJBMT-WBVHZDCISA-N 458.368 2.247 30 10 JEEE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282303461 XEYLKUYVDQHYSJ-YJBOKZPZSA-N 481.424 2.305 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CNC(=O)c2ccc(F)c(B3OC(C)(C)C(C)(C)O3)c2)C1 2282475918 VFUJYNMILUMXSE-QAPCUYQASA-N 464.343 2.083 30 10 JEEE Cn1cc(C(=O)N[C@H]2CN(Cc3ccccc3)CC(F)(F)C2)nc1B1OC(C)(C)C(C)(C)O1 2282551413 CXSUSEGJQIBWBZ-QGZVFWFLSA-N 460.334 2.359 30 10 JEEE Cc1c(C(=O)N2C[C@@H](CNC(=O)OC(C)(C)C)C[C@H]2C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282552706 MHKMEAFPHAAHLO-GDBMZVCRSA-N 462.400 2.403 30 10 JEEE CN(C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2282568903 JTIGQWPPDSSEMY-MRXNPFEDSA-N 462.400 2.438 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2C[C@H]1CN(C(=O)OC(C)(C)C)C2 2282593722 URWMLALMJMVLTQ-HOTGVXAUSA-N 460.384 2.109 30 10 JEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@]2(C)CCCCN2C(=O)OC(C)(C)C)n1 2282623300 DMMVEJFIZLBVNG-QFIPXVFZSA-N 463.388 2.024 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H]1COC[C@H]1CNC(=O)OC(C)(C)C 2282695539 PHQQMMVHHCJWRL-NVXWUHKLSA-N 463.384 2.077 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CN(S(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CC1(C)C 2282826319 QAZJGAWFZQLGHR-KRWDZBQOSA-N 481.424 2.305 30 10 JEEE CN(C(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(O)cc2O)C1 2282991541 HIQRBZPLGFDGFQ-CQSZACIVSA-N 462.352 2.478 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2COC[C@@]2(C(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)C1 2284019612 ANZBLXWWAHZKHX-WNSKOXEYSA-N 459.352 2.203 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1COC[C@@H]1C(=O)N1CCc2ccc(B3OC(C)(C)C(C)(C)O3)cc21 2284044260 YBPIPHHRQAEUTQ-ROUUACIJSA-N 458.364 2.415 30 10 JEEE Cc1ccc(S(=O)(=O)N=C(CN2CCCC2)N2CCN(S(=O)(=O)c3ccc(C)cc3)C2)cc1 2297316134 ACFMYQMRSZJNKD-UHFFFAOYSA-N 490.651 2.450 30 10 JEEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)[C@@H](CN)c1cc(I)nn1C 2361023926 BZHQPBNCTZBCKL-INIZCTEOSA-N 487.386 2.359 30 10 JEEE C[C@@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)C[C@@H](C)C1NC(=O)OC(C)(C)C 2362352983 HWHCYEBTBBGOJL-HUUCEWRRSA-N 462.400 2.341 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1CC(C)(C)CN1C(=O)OC(C)(C)C 2362354031 OOKVKGYPBZLYDJ-HNNXBMFYSA-N 462.400 2.485 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC2(F)CC(NC(=O)OC(C)(C)C)C2)n1C 2362492606 CMXFIBZWSAZXDC-UHFFFAOYSA-N 466.363 2.153 30 10 JEEE C=CCn1nc(C)c(/C=N/Nc2nnc(SCC(=O)Nc3ccccc3OC)n2N)c1C 59829841 KAJTUNPRUNHKOT-SSDVNMTOSA-N 455.548 2.177 30 10 JEEE C/C(O)=N/S(=O)(=O)c1ccc(NC(=O)[C@H]2CCCN(c3ccc(-n4ccnc4C)nn3)C2)cc1 70842752 OIQPBYIDPSYHNG-KRWDZBQOSA-N 483.554 2.491 30 10 JEEE CCOC(=O)C1CCN(c2nc3c(c(=O)[nH]2)[C@@H](c2ccccc2OCC)[C@H](C#N)C(=O)N3)CC1 72444578 CNLXTGIZKIVLTD-WMZOPIPTSA-N 465.510 2.172 30 10 JEEE CCCC/C=C/CCN1C(=O)[C@H]2[C@H](C1=O)[C@](CC(=O)O)(C(=O)O)N[C@H]2c1ccccc1C#N 248258155 LMCRABUXAJQALE-FROGSLEASA-N 453.495 2.238 30 10 JEEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 520146012 XPHALWKOGPVBBY-UHFFFAOYSA-N 472.567 2.424 30 10 JEEE C=CCNc1nc(C(=O)OCC(=O)N2CCN(S(=O)(=O)/C=C\c3ccccc3)CC2)cs1 749456456 HHKKZLOVEASYHC-ZSOIEALJSA-N 476.580 2.043 30 10 JEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)[C@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)c1 749505349 PECZWRMURUWGQH-QHCPKHFHSA-N 491.563 2.480 30 10 JEEE CC#CCCNC(=O)CCNS(=O)(=O)c1cc(Br)ccc1Br 1137870681 YNTCIXAGTHEWIE-UHFFFAOYSA-N 452.168 2.410 30 10 JEEE C#CC[C@]1(C(=O)N2CCC(C(=O)OCC)([S@@](C)=O)CC2)CCCN1C(=O)OC(C)(C)C 1158402463 JBCGDYNMFCOMHA-ROTAYESASA-N 454.589 2.082 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2OCCC2(C)C)c1 1286309322 JTKKPACNEONABI-MOPGFXCFSA-N 450.543 2.101 30 10 JEEE C#CCCCn1c(N(C)CCN2C(=O)c3ccccc3C2=O)nnc1[C@]1(OC(C)C)CCOC1 1286359730 IGTZSOVTYOJFBA-VWLOTQADSA-N 465.554 2.465 30 10 JEEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1C[C@@H]1CCC[C@H](O)C1)[C@@H]1CCS(=O)(=O)C1 1286394672 JXNMFTUQHUIBOZ-AQNXPRMDSA-N 488.610 2.044 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@@H](C)N(C)Cc1ccccc1 1286408829 FQIDBPGQMIYQJD-IRLDBZIGSA-N 453.612 2.164 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC2CCN(CCC(C)C)CC2)CC1 1286471809 AELUKDZGPKSKID-AREMUKBSSA-N 472.678 2.444 30 10 JEEE C=C(C)COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1286603683 WQLAGJQUKMEGLF-UHFFFAOYSA-N 483.573 2.190 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC(Oc2cncc(Cl)n2)CC1 1286788332 UVJWWYBQGNJHHA-INIZCTEOSA-N 461.954 2.313 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCN(C)C(=O)[C@@H]1C 1286791926 HNSYKJGKAVUVGN-SFHVURJKSA-N 454.575 2.258 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H]1c1cccc(OC)c1 1286814659 VLQOWQWRNLCIAG-FQEVSTJZSA-N 473.599 2.465 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1286821546 OTLZNYSICTWDSW-OAQYLSRUSA-N 488.589 2.403 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1286821692 SFUOZIXVNXQXOV-LJQANCHMSA-N 491.633 2.298 30 10 JEEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCNC(=O)OC(C)(C)C)CC1 1286884820 WUBMAFHSXKBELE-UHFFFAOYSA-N 483.573 2.312 30 10 JEEE C[C@@H]1SCCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCS(=O)(=O)CC2)[C@@H]1C 1291326957 CPQVHPOHEWNTGW-CVEARBPZSA-N 461.613 2.087 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CC(=O)N(CCOC)C1 1300327678 DUIGOMWAWVGHLT-OTWHNJEPSA-N 474.606 2.303 30 10 JEEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1300371351 CRLIXFXBNHUBLY-IBGZPJMESA-N 467.599 2.483 30 10 JEEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCC(C)(F)F)[C@@H]1CCS(=O)(=O)C1 1300482525 GJUCARBUJRNPMV-MRXNPFEDSA-N 486.566 2.021 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2C[C@]2(OC)CCOC2)CC1 1300690642 FGODRRKSQJSHEV-RUZDIDTESA-N 469.586 2.303 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCCN(C(=O)C2CC2)CC1 1300870532 UBTUSEZOIIWFPV-JBACZVJFSA-N 461.607 2.432 30 10 JEEE C=CCC(C)(C)Cn1c(-c2cccnc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1301146281 YUPYLLIVSZPEBL-UHFFFAOYSA-N 451.575 2.213 30 10 JEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1301189228 SWEJELLOPMPBGT-ZWKOTPCHSA-N 455.625 2.219 30 10 JEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2cc(OC)c(OC)cc2C1 1301222794 GLFKLHUZRINWJW-OAQYLSRUSA-N 491.614 2.157 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nc2c(s1)C[C@H](C)CC2 1301423675 BEJQBKSYXSHWPU-HZPDHXFCSA-N 465.645 2.449 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)cc1N1CCOCC1 1301425842 ZDPDKDKSGGGROM-NRFANRHFSA-N 489.642 2.012 30 10 JEEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1301458608 CYPLHEMSMICBQN-UHFFFAOYSA-N 487.649 2.323 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@H](Cn2cccn2)C1 1301480737 DOLOWQUFAOFLKD-XLIONFOSSA-N 485.976 2.476 30 10 JEEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)Cc1ccsc1 1301499549 BXZCUCKTXFVINA-UHFFFAOYSA-N 452.588 2.452 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](CC)c2ccccc2)nnc1N1CCC(C(=O)NC)CC1 1301569166 RMVVDPINFBUVON-HXUWFJFHSA-N 459.616 2.383 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCS[C@@H](C)[C@@H]1C 1301587431 VJLHQYBLUOOPOJ-IRXDYDNUSA-N 460.629 2.448 30 10 JEEE CC(C)[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C(N)=O)C1)N1CCCC1 1302528154 GJMXEAMZOZZFPA-FPOVZHCZSA-N 451.575 2.161 30 10 JEEE CSC1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(CCC#N)CC2CC2)CCC1 1302611225 FTYOQDDNNWZHRM-KRWDZBQOSA-N 468.649 2.027 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1ccc(OCCN(C)C)cc1 1303846836 CHVSXJMXCIOYON-JPYJTQIMSA-N 489.646 2.007 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CC[C@H](C(F)F)N1CCOCC1 1358896384 BYNHFWKCEPXUTL-HZPDHXFCSA-N 466.558 2.084 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccc1Cl 1358929833 IYMRLDRXXBAGRM-SFHVURJKSA-N 451.980 2.314 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1ccc(N(C)C)cc1C)[C@H]1CCS(=O)(=O)C1 1358962811 XPMKHEVGUVABRN-UNMCSNQZSA-N 471.627 2.222 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1Cc1ccnc(C(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 1358966633 SQBPTTNTIQRMJH-MRXNPFEDSA-N 453.490 2.319 30 10 JEEE C#CCN(CC#CC)c1nnc(C2(c3ccccc3)CCC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1358985501 ACYLRKUKQCLVEE-OAQYLSRUSA-N 465.623 2.493 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@]1(O)CCSC1 1358991628 JLRHGYLVFCUZLV-XMMPIXPASA-N 462.579 2.006 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCN(C)CC(F)(F)F 1359021265 IUZABRIJNUWLJP-UHFFFAOYSA-N 453.465 2.296 30 10 JEEE C#CCN(CCOC)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@]1(O)CCOC1 1359027079 VCNDDWJCDFDGGM-HXUWFJFHSA-N 455.342 2.401 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(Cl)c3)n2CCCN(C)S(=O)(=O)CC)CC1 1359030869 JDIWJWOCVKIQIT-UHFFFAOYSA-N 465.023 2.025 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@H]2CCOC[C@H]2C)CC1 1359031386 ZVVPYPVGPOXKBP-RTBURBONSA-N 469.586 2.399 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@H](C)CN2CCN(CC)CC2)CC1 1359038583 BDSYTIVKWHPDDL-XMMPIXPASA-N 479.673 2.194 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H](c2ccc(F)cc2)N(C)C)CC1 1359040040 GBWPEJPCMOTUPB-PMVMPFDFSA-N 470.593 2.199 30 10 JEEE C#CCSCCn1c(-c2ccccc2Cl)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1359053366 KUAIBSGXTFBCEV-QGZVFWFLSA-N 458.975 2.438 30 10 JEEE C=C(C)COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1359127791 AKLDMGDURROUBN-HXUWFJFHSA-N 490.586 2.450 30 10 JEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](CNC(=O)c2ccccc2)C1 1359131893 IFHSUAXXEDEIHQ-TZIWHRDSSA-N 466.586 2.468 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@H]2CCCO2)C1 1359315377 SXLDWOABQLGWTR-RTBURBONSA-N 461.588 2.156 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CC[S@](=O)CC)C1 1359322514 XBSMVIKPYGUQSL-PSTIOWGYSA-N 459.620 2.002 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1359329392 HUORPLFQHXLSLE-MJGOQNOKSA-N 495.049 2.141 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 1359330164 JEQXZQPXAKKVMB-IBGZPJMESA-N 473.521 2.471 30 10 JEEE CC(C)[C@@](C)(O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@](F)(C#N)C1 1359647680 FOLOSBLCFGZTQD-LEWJYISDSA-N 464.567 2.044 30 10 JEEE CC[C@@H](C#N)Oc1cc(CNC(=O)c2ccc3c(c2)S(=O)(=O)N(CC)C3=O)ccc1OC 1360147576 AUENEWNJIARNBI-INIZCTEOSA-N 457.508 2.471 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCOC[C@@H]2CC(=O)c2cccs2)ccc1F 1445291703 ZOKOCQWYZBGFQT-HNNXBMFYSA-N 452.529 2.466 30 10 JEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N(C)[C@H](C)C(=O)NC(C)(C)C)nnc12 1457770825 DHWYVOKUVBQQTF-CQSZACIVSA-N 456.572 2.084 30 10 JEEE N#Cc1ccc(CN2CC[C@H](NS(=O)(=O)c3cc(Br)cc(C#N)c3)C2=O)cc1 1463630974 FLTXKXPLJRHDJZ-SFHVURJKSA-N 459.325 2.272 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC(Oc3cncc(Cl)n3)CC2)ccc1F 1467360290 NPLYUOSWARNKII-UHFFFAOYSA-N 454.911 2.417 30 10 JEEE COc1cc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC[C@](C)(C#N)C2)ccc1OCCO 1504086122 CFJFOMAFAWZRSV-RUZDIDTESA-N 491.552 2.483 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1Cc1ccco1)[C@H]1CCS(=O)(=O)C1 1507628581 XKYCMQWNLXPTBC-KRWDZBQOSA-N 456.524 2.230 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc(F)c(F)c1F 1507660106 MDOZZWUBJYGXKB-CQSZACIVSA-N 453.490 2.011 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2CCCN(C(C)C)C2)CC1 1507740872 QGLODKQQNNRZLS-JOCHJYFZSA-N 480.661 2.226 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1507743693 IQRSFMYLITUZBN-KRWDZBQOSA-N 456.572 2.066 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1([S@@](C)=O)CC1 1507771800 CUCJHTZTWUGPEY-ZGPJAWLASA-N 477.631 2.490 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccn2)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1507801869 YMROZFHOCHVXGU-DYXWJJEUSA-N 475.615 2.351 30 10 JEEE C=CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1508164980 OTTAIFIPESBXHB-GOSISDBHSA-N 460.629 2.449 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1Cc1nccc(C(F)F)n1)[C@H]1CCS(=O)(=O)C1 1539213088 VPGOIRXFWJCXDH-KRWDZBQOSA-N 483.504 2.219 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCCN1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1539231795 WMUXIOKVIFCNMS-PWRODBHTSA-N 463.648 2.268 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1nccc(C(F)F)n1 1539265263 FDKQOSMQMYSALG-KRWDZBQOSA-N 487.511 2.435 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(C)(C)C(=O)NCC 1539325530 KBBOIKCPXVQECC-IBGZPJMESA-N 486.617 2.212 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1nc(C(C)(C)C)cs1 1539370014 RRGDMQUVWQOTDO-MRXNPFEDSA-N 480.660 2.067 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H](OC)c2ccc(F)cc2)CC1 1539430536 KXYCTWBQIZDOJG-QPPBQGQZSA-N 457.550 2.212 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCCNC(=O)OC(C)(C)C)CC1 1539441543 SMJADTFDFVXMCI-UHFFFAOYSA-N 468.558 2.344 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CC(C)(C)N2CCCCC2)CC1 1539483314 WQFMPLLHIISIAQ-UHFFFAOYSA-N 463.630 2.494 30 10 JEEE C=C(Br)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1539580009 GHLGDUFPZVSWHJ-AWEZNQCLSA-N 456.322 2.385 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1539622507 XDUXWSRCLUXUKU-ICSRJNTNSA-N 490.586 2.306 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCn1cnc2ccccc21 1539668488 AEHONNTZSRWXKA-FQEVSTJZSA-N 473.603 2.063 30 10 JEEE C=C(C)COCCn1c(COc2ccc(C)cc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1539758529 JOJQLKWTSVOEGR-UHFFFAOYSA-N 496.612 2.029 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCNS(=O)(=O)CC)CC1 1539848044 PUIFJWSMZHDYLB-GOSISDBHSA-N 482.651 2.488 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC(CN(CC)C(=O)OC(C)(C)C)CC1 1540861867 JOJYONKVOFKWNW-UHFFFAOYSA-N 491.637 2.192 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCC(C(=O)NC)CC2)cc1 1540876865 DJEHPOBIEFEZKF-UHFFFAOYSA-N 452.559 2.090 30 10 JEEE C=CCOc1ccccc1Cn1c(N2CCN(C)C(=O)[C@@H]2C)nnc1[C@@]1(OCC)CCOC1 1540881418 ITNBVTQXMIRADE-MHECFPHRSA-N 455.559 2.210 30 10 JEEE CCN(CC)[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(=O)NC)C1 1547433003 FMKMBHSRRIVLNT-UYAOXDASSA-N 453.591 2.421 30 10 JEEE CNC(=O)[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@H]1C1CCN(C(=O)NCCOC)CC1 1548397306 HNZUYVQZENAFTO-RBUKOAKNSA-N 481.519 2.443 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CC(C)(C)COC)c1 1587684108 SLVZSJUDFNHPAD-UHFFFAOYSA-N 452.559 2.243 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1ccc(C(C)(C)O)cc1)[C@@H]1CCS(=O)(=O)C1 1588055098 SCECLQZDEZWSQW-TZIWHRDSSA-N 472.611 2.075 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(F)cc2F)CC1 1594241499 SARXLULECSMYLS-LJQANCHMSA-N 467.542 2.340 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(C(=O)NCCCC)CC1 1595489236 DMWODWAYEGYZEN-UHFFFAOYSA-N 492.422 2.471 30 10 JEEE CC(C)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2([S@@](C)=O)CC2)[C@@H](C)C1=O 1607485027 DXQHTJHMHMNISM-UJQZNKFNSA-N 454.600 2.421 30 10 JEEE C=CC[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Br)C(=O)OCC 1611408347 LEBSNQKPYFSQTL-MRXNPFEDSA-N 459.362 2.471 30 10 JEEE CCCC(=O)NC[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)CC)C1 1614317738 BBLXKDXJIKLKPJ-IBGZPJMESA-N 472.615 2.384 30 10 JEEE CCC[C@](C)(O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1614333561 DGLQVGHVMSNTOH-MBSDFSHPSA-N 455.538 2.118 30 10 JEEE COc1cc(OC)c2c(c1Cl)O[C@]1(C(=O)C=C(NCCS(=O)(=O)NC(C)C)C[C@H]1C)C2=O 1615243905 KZSBMZGMMGJHSC-XUSGNXJCSA-N 486.974 2.081 30 10 JEEE CN(C)C(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1617605856 AGGPVTATVNMNQE-UHFFFAOYSA-N 483.573 2.264 30 10 JEEE COC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CCN2[C@@H](C)CC[C@H]2C)CC1)OC 1619598085 FPHVNOOONLJKQQ-ZFGGDYGUSA-N 481.645 2.473 30 10 JEEE C=CCS(=O)(=O)CCNC(=O)c1cc(-c2cccnc2)nc2c1cnn2Cc1ccco1 1632484954 RSQIMAQJBHTZJU-UHFFFAOYSA-N 451.508 2.465 30 10 JEEE C=CCOC[C@@H](NC(=O)c1cccc(S(=O)(=O)N2c3ccccc3C[C@@H]2C)c1)C(=O)OC 1635158767 KAJIWTLRZUVWGQ-OXJNMPFZSA-N 458.536 2.301 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@H]([C@@H]2CCCCN2C(=O)CCn2cc(C#N)c(O)nc2=O)C1 1637601175 BSFJLCDOISOSGG-WMZOPIPTSA-N 459.547 2.239 30 10 JEEE C#CCN(C(=O)NC[C@H]1CCO[C@H]1C(=O)OC)[C@H]1CCOc2ccc(Br)cc21 1637765064 CWAIFIVLEIIQPP-RPVQJOFSSA-N 451.317 2.496 30 10 JEEE C=CCN(C(=O)Nc1cc(Br)ccc1N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1667517211 MLKSJSCVDULPLL-OAHLLOKOSA-N 458.378 2.493 30 10 JEEE C=CCn1cc(CNC(=O)N[C@@H](c2ccc(OC)cc2)c2cccc(S(C)(=O)=O)c2)nn1 1678174517 QMRANNNXACGWSO-NRFANRHFSA-N 455.540 2.465 30 10 JEEE N#Cc1ccc(CN2CC[C@H](NC(=O)NC[C@@H](O)c3ccccc3Br)C2=O)cc1 1682226379 IFRULSVNERSRMG-RBUKOAKNSA-N 457.328 2.454 30 10 JEEE C#CCN(C)c1nnc(COc2ccccc2OC)n1C[C@]1(N2CCOCC2)CCSC1 1689975455 XMXMAOXUIWSRSL-HSZRJFAPSA-N 457.600 2.143 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CCCCN1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1689993801 LTNYTKMXEFCYEV-HSZRJFAPSA-N 484.670 2.403 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H]2CCCN2CCC)CC1 1690137740 HUZYPCOTPUWRJA-BKMJKUGQSA-N 486.661 2.159 30 10 JEEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1ccsc1 1690174430 DBCNGMSFGZGVOD-MSOLQXFVSA-N 481.669 2.380 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCc2ccccc2)nnc1N1CCN(C(=O)COC)CC1 1690251669 XSJMITCJSQUBCI-QPPBQGQZSA-N 453.587 2.340 30 10 JEEE C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1690276291 VCOVRAJUCMVGJH-HXUWFJFHSA-N 476.379 2.437 30 10 JEEE C=C(C)Cn1c(N2CCCN(c3nccc(OCC)n3)CC2)nnc1[C@]1(OCC)CCOC1 1690298233 ULGVBEPBHIKCMJ-QHCPKHFHSA-N 457.579 2.412 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)Oc2ccccc2F)CC1 1690375574 OFDNAXDIVYUYCX-XLIONFOSSA-N 479.578 2.374 30 10 JEEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1 1690643857 ZJRLTZWLVLCEPJ-WBVHZDCISA-N 453.609 2.496 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1690676814 FFVMCWBYWPZKKU-UHFFFAOYSA-N 491.589 2.236 30 10 JEEE Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C#N)C3)n2Cc2ccc(OC(C)(C)C)nc2)n1 1693428844 CQPITQIGYNDEBJ-IBGZPJMESA-N 450.547 2.489 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CC[C@@H](OC)C(F)(F)F)c1 1705505135 JLGKSPRBTYRIDB-IAGOWNOFSA-N 478.475 2.253 30 10 JEEE C#CCN(CC)c1nnc([C@H](C)OCCOC)n1C[C@@H]1C[C@@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1705605005 YUWLDUGFZCHYLA-ZGXWSNOMSA-N 477.606 2.486 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H]1CCS(=O)(=O)C1 1705623175 IPBKWIYIPAIISG-OAHLLOKOSA-N 454.499 2.067 30 10 JEEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2CC2CCN(CCN(C)C)CC2)CC1 1705642282 NUKDXDHYABTCKR-UHFFFAOYSA-N 479.673 2.194 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1705697379 UUDHMDALUBCTGE-RBBKRZOGSA-N 496.612 2.108 30 10 JEEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](C(=O)OC)[C@H](CNC(=O)OC(C)(C)C)C1 1705729067 JZCDHJSEOMVDGC-MANSERQUSA-N 493.605 2.328 30 10 JEEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(F)c(F)c1 1705737094 JTNFLSRBXLPWRD-IBGZPJMESA-N 485.557 2.118 30 10 JEEE C=C1CCN(c2nnc(COc3ccccc3OC)n2CCS(=O)(=O)N2CCSCC2)CC1 1705772667 XZHSDTUIGWUJHC-UHFFFAOYSA-N 493.655 2.401 30 10 JEEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)OCc2ccccc2)CC1 1705829186 JUIDTLGELZHTRD-HXUWFJFHSA-N 468.558 2.281 30 10 JEEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(C)cc1N1CCOCC1)C1CC1 1705849411 LVMUDFVHKIFEDN-SFHVURJKSA-N 474.631 2.236 30 10 JEEE C=CCN(c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)NCC(F)F)C1CC1 1705855033 UPMKITNKFXSROM-OAHLLOKOSA-N 470.521 2.123 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Br)c2)nnc1N1CC[C@H](C(=O)OC)C1 1705931670 XIXVSHDZNBNBSY-HNNXBMFYSA-N 483.388 2.308 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1705931751 YZWIFZWTZJTING-LJQANCHMSA-N 494.017 2.027 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCO[C@H](Cc2ccccc2)C1 1705932206 OTKMRCJAAHSXMI-OAQYLSRUSA-N 453.568 2.389 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1705934999 DGXIZXSRVADURG-GGAORHGYSA-N 487.670 2.325 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 1705939068 RCRJOSAYUSJUDQ-ZWKOTPCHSA-N 467.636 2.109 30 10 JEEE CCN(CC)[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@H]2C1 1710015829 CMGYKZRGRIVFIA-PKOBYXMFSA-N 453.547 2.100 30 10 JEEE CCO[C@@]1(c2nnc(N3CCC(C#N)CC3)n2Cc2ccc(OCCO)c(OC)c2)CCOC1 1710446940 BSWOQTOOWBZFMJ-DEOSSOPVSA-N 471.558 2.098 30 10 JEEE CO[C@@H]1COCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1712100035 ASWCYMRAOVBCOG-QZNHQXDQSA-N 482.585 2.133 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1c(C)nn(C)c1C 1722417343 DNUOTNKTJMHKGB-INIZCTEOSA-N 473.578 2.066 30 10 JEEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1722463005 VMFQJHBJNKVJLX-QFIPXVFZSA-N 485.639 2.122 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1Cc1cnn(CCOC)c1 1722475314 BBOIVLAIEQOGHN-JOCHJYFZSA-N 453.572 2.153 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(=O)NC)CC1 1722495870 IFFKHGFBFBOWHZ-UTKZUKDTSA-N 470.574 2.405 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2ccccc2C)CC1 1722537184 MAIRSZGEIHUSKN-JOCHJYFZSA-N 473.643 2.404 30 10 JEEE C=CCCCn1c(N2CCN([C@@H](C)C(=O)N3CCCC3)CC2)nnc1[C@]1(OCC)CCOC1 1722623628 WNHYGUVIPAYAMX-RDPSFJRHSA-N 460.623 2.029 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1csc(C(C)(C)C)n1 1722641098 XEEBYTQPWVOYJO-INIZCTEOSA-N 468.649 2.230 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(F)(F)CC1 1722698707 KSMRLOMVGHCDOX-OAHLLOKOSA-N 470.521 2.124 30 10 JEEE C=CCOc1ccc(Cn2c(-c3cccn3C)nnc2N2CCN(CC(=O)N(C)C)CC2)cc1 1722705701 HDCXDYCOIWMQDU-UHFFFAOYSA-N 463.586 2.107 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCOC[C@H]2C)C1 1722721113 CMUZNZNXGSDVPM-KNQAVFIVSA-N 452.559 2.231 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCO[C@@H](c2ccc(F)cc2F)C1 1722728782 YVWZPYOXKPQPJJ-LJQANCHMSA-N 476.509 2.192 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCO[C@@H](c2cccc(OC)c2)C1 1722729829 YGQUZRZHQLIEBN-JOCHJYFZSA-N 483.594 2.451 30 10 JEEE COc1ccncc1Cn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1730340667 FXDTVQSGDJRYJJ-UHFFFAOYSA-N 474.569 2.062 30 10 JEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccc(C)cc2)CC1 1740573771 HPZRKTYDOCAXDJ-JOCHJYFZSA-N 486.642 2.050 30 10 JEEE C#CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](NC(C)=O)C1 1740575114 QFRQNMUPNKBQTR-PMACEKPBSA-N 474.606 2.495 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(Cl)c1 1740589912 CJWYFFSYOOCHJY-SFHVURJKSA-N 451.980 2.314 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1cccc(NC(=O)OC)c1)[C@H]1CCS(=O)(=O)C1 1740620622 FRGXVTLHBIHEBX-FQEVSTJZSA-N 480.550 2.193 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H](OC)C(C)C)[C@H]1CCS(=O)(=O)C1 1740621635 XXFJXXKKLKKQPQ-RXVVDRJESA-N 476.599 2.260 30 10 JEEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1CC1=CCCOC1)[C@H]1CCS(=O)(=O)C1 1740628945 WUFLTCKICQVPJC-IBGZPJMESA-N 476.986 2.484 30 10 JEEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccccc1Cl)N(C)C 1740662559 UYQUYSJZYJZIHN-QAPCUYQASA-N 453.012 2.304 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccnc2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1740683310 BGQJVJAMURFQER-SFHVURJKSA-N 452.481 2.079 30 10 JEEE C#CCN1CCN(c2nnc(C3(c4ccccc4)CCC3)n2CCCN(CC)S(C)(=O)=O)CC1 1740693200 URZMGWGCCXEEFE-UHFFFAOYSA-N 484.670 2.175 30 10 JEEE C#CCSCCn1c(-c2ccccc2OC)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1740715568 ZJXBYHZQCPBIRO-UHFFFAOYSA-N 482.654 2.455 30 10 JEEE C=C(Br)Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)CCCC(=O)NC 1740742839 CVDQQXMWFNVPFZ-UHFFFAOYSA-N 460.336 2.465 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCN(C)C2CCCCC2)CC1 1740825241 KTODTOUXQVZRTK-OAQYLSRUSA-N 480.679 2.422 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 1740960026 JFSOJCPKTMTCDL-SJLPKXTDSA-N 463.485 2.264 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCOC2CCCCCC2)C1 1740981416 OSHHMVBKGODUJO-LEWJYISDSA-N 497.662 2.132 30 10 JEEE CC(C)C(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)N2CCOCC2)CC1 1741272697 HFWWDJBKOKGZOJ-FQEVSTJZSA-N 465.602 2.232 30 10 JEEE C#CCCCn1c(N2CCN([C@H](C)C(=O)NC3CCCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1748764771 VNUCCSOQZDCADN-QFQXNSOFSA-N 486.661 2.301 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCCn1cccn1)[C@@H]1CCS(=O)(=O)C1 1748804386 HBFKLXAZLRIUPW-UYAOXDASSA-N 486.573 2.471 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCN(C)[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1748808110 ICDYKIATQRLBSO-PXNSSMCTSA-N 474.587 2.210 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2Cc2ccc(OC)nc2OC)CC1 1748984702 PPSLPTHRDSXDEJ-UHFFFAOYSA-N 478.553 2.178 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(C)(C)N[C@@H](C)c2ccccc2)CC1 1748990021 SPIRRNQDKSCTPR-UNMCSNQZSA-N 484.670 2.065 30 10 JEEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(CC)Cc1cnn(C)c1 1749032877 SQHUMDIHGCGBPV-UHFFFAOYSA-N 462.583 2.318 30 10 JEEE C#CCSCCn1c(N2CCO[C@H]([C@@H]3CCCO3)C2)nnc1[C@]1(OC(C)C)CCOC1 1749049200 FSLVFYNOSGJCCO-IPJJNNNSSA-N 450.605 2.069 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1749124884 QUKOFBNYIUPBOY-VIPLHTEESA-N 461.950 2.335 30 10 JEEE COC1CCN(C(C)(C)Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@H](C)CC(N)=O)CC1 1749186242 HZASJOOUDANPDG-QGZVFWFLSA-N 453.591 2.406 30 10 JEEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)c1cccs1 1749228543 BDXPUOQCSKZLNE-IAGOWNOFSA-N 469.633 2.463 30 10 JEEE COC[C@@H](Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC[C@](C)(C#N)C1)OC 1749344073 FJILPMGLPGEKFB-ZEQKJWHPSA-N 481.645 2.434 30 10 JEEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1749402573 PKEOGMRFUSGRPM-SJLPKXTDSA-N 463.608 2.111 30 10 JEEE C=CCNC(=O)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC[C@@H](C)C1 1749677460 ZTSILLTVMIYBRW-OAQYLSRUSA-N 451.619 2.181 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@H](N2CCCC2=O)C1 1749726970 LQSUYSXTQXOOAS-KRWDZBQOSA-N 494.017 2.409 30 10 JEEE C=CCSCCn1c(-c2cccnc2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1749751293 PJXYAZKEICLHEG-UHFFFAOYSA-N 455.632 2.394 30 10 JEEE C#CCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCCN(CC)C(=O)C1 1760157665 XJZBCDWSZZIXJE-UHFFFAOYSA-N 463.630 2.115 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1Cc1ccc(CN2CCCC2=O)cc1)[C@H]1CCS(=O)(=O)C1 1760188052 ZQBUEGMHCPNJGG-QFIPXVFZSA-N 483.638 2.274 30 10 JEEE C#CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CCOC[C@H]1C 1760243785 FDZHOVBXJOWXTO-MJGOQNOKSA-N 474.631 2.305 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCN(C)Cc2ccc(F)cc2)CC1 1760270182 TYNLVWKODIXERW-JOCHJYFZSA-N 482.604 2.409 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCC[C@H](C(=O)NC)C1 1760518358 ROBBQLLICIHAJZ-SFHVURJKSA-N 470.574 2.006 30 10 JEEE CC(C)(C)[S@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1760804403 DGZRFIMJAWHFHX-PGUFJCEWSA-N 497.669 2.108 30 10 JEEE CCCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1764071218 BYQSAHSYDSUBDQ-UHFFFAOYSA-N 461.574 2.135 30 10 JEEE COC1(CCn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)CCC1 1769753675 BOVBNITWZSKSNB-SFHVURJKSA-N 459.572 2.311 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCNC(C)=O)[C@H]2c2ccc(C(=O)O)cc2)cc1C 1862407492 PNMNNOJVZGKBKB-FQEVSTJZSA-N 452.463 2.416 30 10 JEEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1ccc(O)c([N+](=O)[O-])c1 1862415764 FYDJNIFVJZEXBM-GOSISDBHSA-N 461.377 2.293 30 10 JEEE COc1cc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2CCNC(C)=O)cc(OC)c1OC 1862566670 AKYNWSMDLRUYNI-FQEVSTJZSA-N 469.494 2.009 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H](C)O)[C@H]2c2cc(OC)c(O)c(OC)c2)cc1OC 1862578072 WLXLRRUIUZQOMZ-YUNKPMOVSA-N 473.478 2.386 30 10 JEEE CC(=O)Oc1ccc(C[C@H](NC(=O)CC[C@@H]2CCS(=O)(=O)C2)C(=O)Nc2ccccc2C#N)cc1 1866928227 ARORQFVFFDYBJM-XXBNENTESA-N 497.573 2.364 30 10 JEEE C=CCOc1ccccc1OCC(=O)Nc1nc(N2CCC[C@H](C)C2)nn1[C@H]1CCS(=O)(=O)C1 1869996243 XDHHMYTUEYARHV-ROUUACIJSA-N 489.598 2.456 30 10 JEEE COc1cc(OC)cc(-n2nnc(C#N)c2NC(=O)CN2C(=O)COc3ccc(Cl)cc32)c1 1870160523 WSYBDQXIPFKSHG-UHFFFAOYSA-N 468.857 2.174 30 10 JEEE C#CCOc1cn(CCN2C(=O)CSC2=O)c(CN2CCN(c3ccc(F)cc3)CC2)cc1=O 1870562373 CPQULVCCAONRMN-UHFFFAOYSA-N 484.553 2.017 30 10 JEEE C=CCN(CC=C)c1nc(=NCCCN(C)C)[nH]c(=Nc2cc(OC)c(OC)c(OC)c2)[nH]1 1871566465 WSTOBJJUPBSEOF-UHFFFAOYSA-N 457.579 2.027 30 10 JEEE CC(C)(C)OC(=O)NC1(C(=O)N[C@@H](CCS)C(=O)O)CCN(Cc2ccccc2)CC1 2009961512 NUQUJVDMHCKTAE-KRWDZBQOSA-N 451.589 2.435 30 10 JEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C(=O)N2C[C@H]3[C@H](B4OC(C)(C)C(C)(C)O4)[C@H]3C2)[C@H]1OC 2205488394 LHPFRGWAYBJNJN-HTPGKPQGSA-N 466.384 2.186 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2[C@H](C1)OC[C@@H]2C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2206631990 JPXFRGAIAYLOII-IKGGRYGDSA-N 459.352 2.201 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NC[C@@H]2C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C2)C1 2255159096 KOGQBTYKARKNEX-MXVKAMRISA-N 451.564 2.074 30 10 JEEE COCC[C@H](CNC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2255645550 PRBUDHBVHFEDCI-CYBMUJFWSA-N 455.386 2.102 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]1NS(=O)(=O)Cc1ccccc1B1OC(C)(C)C(C)(C)O1 2255793937 FBUUZBVIECIZOA-IAGOWNOFSA-N 452.382 2.071 30 10 JEEE CN(C[C@H](O)CN(C)C(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2255870965 PMIQOSANYDUCTJ-CQSZACIVSA-N 454.398 2.347 30 10 JEEE CN(C(=O)OC(C)(C)C)C1(C(=O)NCc2cc(B3OC(C)(C)C(C)(C)O3)cs2)COC1 2256674483 ZYFBBLIAQGZTPW-UHFFFAOYSA-N 452.382 2.299 30 10 JEEE CC(C)(C)OC(=O)NCC1(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)s2)CC(O)C1 2256676219 NEIKBSBTRUQUMK-UHFFFAOYSA-N 453.370 2.047 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1)C(F)(F)F 2267141860 ZSIBSDDASHNDCO-LBPRGKRZSA-N 462.278 2.284 30 10 JEEE CC(C)(C)OC(=O)N1CC2(COC[C@@H](CNC(=O)C3(B4OC(C)(C)C(C)(C)O4)CC3)O2)C1 2267183974 RPRBGTQYXOTCSG-OAHLLOKOSA-N 452.357 2.134 30 10 JEEE CC(C)(C)OC(=O)N[C@@](C)(CO)CNC(=O)c1c(F)cccc1B1OC(C)(C)C(C)(C)O1 2267445982 MHOBBGOHVIMHFS-JOCHJYFZSA-N 452.332 2.130 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](NS(=O)(=O)c2ccc(Cl)c(B3OC(C)(C)C(C)(C)O3)c2)CO1 2267467713 QBSLTSCQKPCBKX-CYBMUJFWSA-N 488.799 2.468 30 10 JEEE CN(Cc1ccccc1)[C@]1(CNC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)CCOC1 2267542231 ORRGCTXFRKJJFO-QHCPKHFHSA-N 457.405 2.463 30 10 JEEE C[C@@H]1C[C@@H](NS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)CN1C(=O)OC(C)(C)C 2267707468 RENVGHNYZCUIQI-ZIAGYGMSSA-N 487.453 2.260 30 10 JEEE CC(C)(C)OC(=O)NCCCONS(=O)(=O)c1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2267709582 DWFRKAOXHICWDA-UHFFFAOYSA-N 474.360 2.250 30 10 JEEE C[C@@H](CNC(=O)OC(C)(C)C)CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(O)cc1O 2267759890 OSTKJCLJFVIJBJ-CYBMUJFWSA-N 450.341 2.288 30 10 JEEE CC1(C)OB(c2ncc(CNC(=O)[C@@](C)(NC(=O)C(F)(F)F)C(F)(F)F)s2)OC1(C)C 2268668451 FTGDADRSTQZKKI-CQSZACIVSA-N 475.220 2.058 30 10 JEEE CN(C)CCN(CC(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)OC(C)(C)C 2268723408 SQTZMTIRAXBACY-UHFFFAOYSA-N 467.441 2.462 30 10 JEEE CC(C)(C)OC(=O)NC[C@H](O)CC(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1F 2268724932 QBHJSMGQBDQXCU-GFCCVEGCSA-N 456.295 2.478 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H]2COC[C@@H](C1)N2C(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2281798603 KGNGFXGUEVNEGI-LSDHHAIUSA-N 479.408 2.293 30 10 JEEE C[C@@H](NC(=O)c1coc(B2OC(C)(C)C(C)(C)O2)c1)C1(O)CCN(C(=O)OC(C)(C)C)CC1 2281815175 QANJFUGOJBJICG-OAHLLOKOSA-N 464.368 2.459 30 10 JEEE Cn1nc(C(=O)N2CC[C@H]3[C@H](CCN3C(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2281979010 AYDUUDYRFJYGCC-WBVHZDCISA-N 460.384 2.191 30 10 JEEE CC(C)(C)OC(=O)N1CC2(CCN(C(=O)c3ncncc3B3OC(C)(C)C(C)(C)O3)CC2)C1 2282189033 DXRWBSCBHMKXKV-UHFFFAOYSA-N 458.368 2.249 30 10 JEEE C[C@@H](NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)o1)C1(O)CCN(C(=O)OC(C)(C)C)CC1 2282196068 VQMVKZPSKNILNN-OAHLLOKOSA-N 464.368 2.459 30 10 JEEE COCCN(CCNS(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2282353475 VUXIOSAPPRDVEI-UHFFFAOYSA-N 484.424 2.148 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@]2(C)CN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)C[C@]2(C)C1 2282580244 QLFNHPXJAGCUSH-DHIUTWEWSA-N 460.384 2.428 30 10 JEEE Cc1c(C(=O)N2CCC[C@@H]2CN(C)C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282593748 VEWKPKQKTPXGLJ-MRXNPFEDSA-N 462.400 2.499 30 10 JEEE Cn1nc(C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C(C)(C)C2)cc1B1OC(C)(C)C(C)(C)O1 2282628239 MJHITGGVCDYGPY-INIZCTEOSA-N 462.400 2.485 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@H]2CN(C(=O)[C@H]3C[C@@H](B4OC(C)(C)C(C)(C)O4)C3)CCN2C1=O 2282646616 QFABEZCIYCAQSX-YVSFHVDLSA-N 463.384 2.195 30 10 JEEE COC(=O)[C@H](CC(=O)NCc1scc(C)c1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2283926070 IXTFQLCNYJSBLB-AWEZNQCLSA-N 482.408 2.428 30 10 JEEE C[C@@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)N1CCc2cccc(B3OC(C)(C)C(C)(C)O3)c2C1 2283976991 KQDUYDQISOZVRV-BEFAXECRSA-N 460.380 2.145 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@](O)(CC(=O)NCc2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2284021096 UIJWEXSFILDKKH-DEOSSOPVSA-N 460.380 2.364 30 10 JEEE COc1ccc(C(O)=C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 2297739930 FKZXTUZQOFQTMO-OAQYLSRUSA-N 467.478 2.357 30 10 JEEE CCn1c(N2C[C@H](C)O[C@@H](C)C2)c(C=C2SC(=S)N(CCC(=O)O)C2=O)c(C)c(C#N)c1=O 2314461314 JGIZHDCEFBFVSZ-STQMWFEESA-N 490.607 2.338 30 10 JEEE COC(=O)c1ccc(CSc2nnc(CNC(C)=O)n2N=Cc2ccc([N+](=O)[O-])cc2)o1 2330750055 OEQYYYZWQVGJOU-UHFFFAOYSA-N 458.456 2.377 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)[C@H]1CN(C(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)CCO1 2337395712 DCRRXEPISJHTHE-DZGCQCFKSA-N 467.397 2.197 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CCO)C(=O)Nc1cc(F)c(F)cc1B1OC(C)(C)C(C)(C)O1 2351774031 VDHHVAHRJDTERY-OAHLLOKOSA-N 456.295 2.478 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1C[C@@](F)(CNC(=O)OC(C)(C)C)C1 2362466499 YIFZNFLOHMWEED-CAJLXGCNSA-N 466.363 2.092 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N=c2[nH][nH]cc2CNC(=O)OC(C)(C)C)n1 2380497063 PSURHGIEMVHGSU-UHFFFAOYSA-N 457.340 2.111 30 10 JEEE COc1cc(/C=N/Nc2nnc(SCC(=O)N[C@H](C)c3ccccc3)n2N)cc(OC)c1OC 20827301 RHAAHFQAKWKASR-REMUQMNCSA-N 485.570 2.433 30 10 JEEE C[C@H](OC(=O)CN1C(=O)N[C@]2(CCCC[C@H]2C)C1=O)C(=O)Nc1sc2c(c1C#N)CCC2 21947448 DZYMYCHHMAUUIW-IFMYKAFSSA-N 458.540 2.479 30 10 JEEE C=CCn1cc(/C=N/Nc2nc(SCC(=O)Nc3cccc(N4CCCC4=O)c3)n[nH]2)cn1 59832201 UTPJTJHVKBKENY-SSDVNMTOSA-N 465.543 2.491 30 10 JEEE CCOC(=O)C1CCN(c2nc3c(c(=O)[nH]2)[C@@H](c2cccc(OCC)c2)[C@H](C#N)C(=O)N3)CC1 72444768 PRAYKETVHDEPPT-ROUUACIJSA-N 465.510 2.172 30 10 JEEE CCCCCCCCCO[C@@H]1O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1NC(C)=O 97998456 NNNCCZODQRUEHT-BVAFDOMYSA-N 473.563 2.410 30 10 JEEE COCCN1C(=O)C(=O)/C(=C(\O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@@H]1c1ccc(F)cc1 102561134 QNOFEZWVCRHMIJ-HQMFNGAOSA-N 462.499 2.144 30 10 JEEE COc1cccc([C@@H]2/C(=C(/O)c3cnc(C)nc3C)C(=O)C(=O)N2CCCN(C)C)c1OC 102740510 OXPLELKPICGQFK-GOBJLOIFSA-N 454.527 2.484 30 10 JEEE CCOC(=O)[C@@H]1CCCN(c2nc(O)c3c(n2)NC(=O)[C@H](C#N)[C@H]3c2ccc(N(C)C)cc2)C1 256032263 BCSPQDYXMHFDHI-KBAYOESNSA-N 464.526 2.251 30 10 JEEE CCOc1ccc(/C=C/C(=O)[C@@H]2CNCC[C@H]2NC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)cc1 585831551 VINNHEZUQXLIFA-COGLFCBVSA-N 475.545 2.447 30 10 JEEE Cc1nc2c([N+](=O)[O-])c(Cl)c(Cl)cc2n1Cc1ccc(B2OC(=O)CN(C)CC(=O)O2)cc1 653697075 FUJZJWQLQGXDEK-UHFFFAOYSA-N 491.096 2.335 30 10 JEEE C=CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H]1C(=O)NC[C@@H]1C(=O)O 757544633 OTYMBDXPYPWZPD-ILWGZMRPSA-N 477.517 2.175 30 10 JEEE COc1ccc(Cl)cc1NC(=O)CSc1n[nH]c(NN=Cc2c(C)nn(CCO)c2C)n1 1084493683 LXWMTWLYOQILQH-UHFFFAOYSA-N 478.966 2.449 30 10 JEEE CCC(C)=NOc1nc(NC(=O)NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])nc(N(C)C)n1 1084590593 IZSBKFPCPPOAGD-UHFFFAOYSA-N 486.898 2.174 30 10 JEEE C=CCn1c(SCC(=O)N2C[C@@H](O)C[C@@H](C(=O)OC)C2)nnc1-c1ccc(Cl)cc1 1144923753 VLCUZMGLJPBGAQ-ZBFHGGJFSA-N 450.948 2.259 30 10 JEEE C=CCCN(OCc1ccccc1)S(=O)(=O)c1ccc(OC)c([C@]2(C)NC(=O)NC2=O)c1 1189383328 LBIQTHGGFGDRQR-QFIPXVFZSA-N 459.524 2.448 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3csc(C)n3)n2Cc2cnn(C)c2)c1 1286310677 FVSNWICKSFYAFU-UHFFFAOYSA-N 460.567 2.472 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@@](C)(O)c1ccco1)[C@H]1CCS(=O)(=O)C1 1286389004 XIAVWKRKYWVIMN-FDDCHVKYSA-N 470.551 2.081 30 10 JEEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@H](NC(=O)CCC)C1 1286501055 KVGWJDLLGDGUHT-IBGZPJMESA-N 479.614 2.172 30 10 JEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C2CC2)C1 1286504971 SUBVLTZVSZVEGC-RCCFBDPRSA-N 474.631 2.335 30 10 JEEE C=C(Br)Cn1c(Cc2ccccn2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1286539815 FCYWGMINFRTOPX-UHFFFAOYSA-N 469.409 2.033 30 10 JEEE C=C(C)COCCn1c(COc2ccccc2F)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1286613039 OEACOIOEBKDFNF-OAQYLSRUSA-N 473.549 2.417 30 10 JEEE C=C(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1)c1ccccc1 1286615817 VCHVKEZHAVGZLY-UYAOXDASSA-N 474.631 2.343 30 10 JEEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(c2nc(C)ns2)CC1 1286668513 SKOUWWNAXMSEIW-HNNXBMFYSA-N 482.680 2.367 30 10 JEEE C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1286769881 ZFMAFPMUDSKNIU-UHFFFAOYSA-N 457.398 2.472 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CC[C@H]2CCN(Cc3ccccc3)[C@@H]21 1286814441 SFHKRPVIABAYLE-NFBKMPQASA-N 486.642 2.075 30 10 JEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCc2c(Cl)cccc2C1 1286822931 JHAGKUZXMGGHOT-UHFFFAOYSA-N 463.991 2.217 30 10 JEEE CCC(O)(CC)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1292283142 BEMORXSBESGBNO-PMACEKPBSA-N 473.599 2.181 30 10 JEEE C#CCCCCn1c(N2CC[C@@H](N3CCN(C(C)C)CC3)C2)nnc1[C@@]1(OCC)CCOC1 1300375750 BWPZJFIXLLQWDS-RCZVLFRGSA-N 458.651 2.338 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1CCN(C)C1CCCC1)[C@@H]1CCS(=O)(=O)C1 1300500949 GDFQGKIYUDFKIQ-HXUWFJFHSA-N 461.657 2.432 30 10 JEEE C#CCN(c1nnc(COCC)n1CCOc1ccc(F)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 1300504953 WNXURRBEXOSRIG-OAHLLOKOSA-N 470.954 2.313 30 10 JEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](C(C)C)N1CCCC1 1300527181 DARKVBXWBKAQTO-NRFANRHFSA-N 467.643 2.431 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H](C)c1ccc(OC)cc1 1300578073 GWKVBYRDURKNER-OFNKIYASSA-N 499.637 2.276 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@]2(C)CN(C)C2=O)CC1 1300708340 QZTLDZRONOKJSG-SANMLTNESA-N 464.614 2.388 30 10 JEEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1300756754 SFYNSHBFOZBRCN-MRXNPFEDSA-N 458.588 2.257 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1Cc2ccccc2O1 1300915283 MCUXOUPDWBGKHD-ICSRJNTNSA-N 461.588 2.017 30 10 JEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](c2ccc(C)o2)N2CCOCC2)CC1 1301106223 RSQZSJRMCOUQRR-QUCCMNQESA-N 492.646 2.266 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC(C)(C)[C@H]1C 1301151522 NIQFVUCNZMVGQV-SJORKVTESA-N 455.625 2.217 30 10 JEEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1c(OC)cc(OC)cc1OC 1301296541 IPYAPZGWLGMCMF-HNNXBMFYSA-N 450.561 2.071 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCOC[C@H]1C 1301411288 XFCFQHWKPYGGAP-SBHAEUEKSA-N 493.630 2.112 30 10 JEEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1301507915 BCHNMLNSUGKQHA-VWLOTQADSA-N 469.586 2.148 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1301577860 TVKJTTTYULPENR-QAPCUYQASA-N 454.980 2.439 30 10 JEEE Cc1ccc(NC(=O)c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCc2cnn(C)n2)cc1C 1304379123 HRDBXNVDZJKFCD-JOCHJYFZSA-N 451.510 2.351 30 10 JEEE C[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCNS(C)(=O)=O)CC12CCC2 1305097921 CFINDUJLFKOSQR-KRWDZBQOSA-N 458.588 2.294 30 10 JEEE C[C@H](c1cccc(C#N)c1)N(C)C(=O)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 1312832711 DYFVZMGFKGXWSJ-OAHLLOKOSA-N 456.524 2.105 30 10 JEEE CN1CC[C@@](O)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](NC(=O)C(C)(C)C)C2)C1 1314922602 FXICMYDGOVFNLY-NLFFAJNJSA-N 465.602 2.014 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1CC1(N(C)C)CCC1)[C@H]1CCS(=O)(=O)C1 1358958552 QPLDRSACPYPFQQ-IBGZPJMESA-N 487.626 2.073 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCCCCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1358962335 OBAZCALFIXGZQO-NHCUHLMSSA-N 463.648 2.413 30 10 JEEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2CC(=O)NC2CCCCC2)CC1 1359038342 SQDYALMLFPJJAH-UHFFFAOYSA-N 450.587 2.370 30 10 JEEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2Cc2cnn(CCOC)c2)CC1 1359039192 ZIDZSCBGVWWFMR-UHFFFAOYSA-N 463.586 2.120 30 10 JEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)CC2CCCCC2)CC1 1359048099 FJOSSOKDOXDFDF-UHFFFAOYSA-N 472.659 2.500 30 10 JEEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1cccc(F)c1 1359058254 XHVFMEGXEUWVDP-PMACEKPBSA-N 493.630 2.458 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1359102036 VQUBFAGXPJLBEU-SVMVAKDDSA-N 472.615 2.367 30 10 JEEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C[C@@H](c1cccs1)N1CCOCC1 1359117143 HQIKIJMMHHASIA-SJORKVTESA-N 468.649 2.036 30 10 JEEE C=CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1359213696 DEIIZYCTKBRMSI-UHFFFAOYSA-N 485.614 2.018 30 10 JEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1359227853 NYESGXHCJMZOLA-GBESFXJTSA-N 495.646 2.076 30 10 JEEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 1359231553 ZHILAPNMZTUKKT-JKSUJKDBSA-N 456.613 2.158 30 10 JEEE C=CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCC(=O)N1CCOCC1 1359237563 DQFBJWFYBSMLEH-UHFFFAOYSA-N 465.558 2.107 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)NCC(F)(F)F 1359275202 MZEQSNJWIYDDLR-KRWDZBQOSA-N 485.532 2.094 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1359296220 BAGLJJKORBPUJQ-GOSISDBHSA-N 492.584 2.160 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC(CNC(C)=O)CC1 1359305303 ZQCOLMRZIBYOGC-UHFFFAOYSA-N 460.966 2.165 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CC1CCC1 1359328440 DKBWIKGZAPNKCJ-UHFFFAOYSA-N 452.602 2.186 30 10 JEEE CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1cc2c(cc1OC(F)F)OCO2 1360206614 BURGJBIBZLESIV-HXUWFJFHSA-N 466.420 2.237 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H]2CC(=O)N(c3c(F)cccc3F)C2)ccc1F 1435717953 CHKMEQZQFKHTLA-ZDUSSCGKSA-N 453.442 2.104 30 10 JEEE C=CCn1c(O)nnc1S[C@@H](C)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 1458998049 VSRGKSQULXDNLO-AWEZNQCLSA-N 451.574 2.464 30 10 JEEE CCc1ccc(-c2nnc(N3CCN(c4nccnc4C#N)C[C@H]3C)n2CC(=O)NCC(F)F)cc1 1497963762 FLYWHHVSSAGPJG-MRXNPFEDSA-N 495.538 2.266 30 10 JEEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](NC(=O)OC(C)(C)C)C(C)C)CCO1 1503771212 HRGRZSQSMMDBPW-UXHICEINSA-N 497.600 2.317 30 10 JEEE COc1ccccc1Cc1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1504406369 HPPTXUABRGISRE-JPYJTQIMSA-N 472.615 2.289 30 10 JEEE COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1Cc1cn(C)nc1-c1ccccc1 1504883931 GLLGPROEOYFHCK-UHFFFAOYSA-N 462.558 2.329 30 10 JEEE C#CCN(C)c1nnc(COc2ccc(Br)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1507617819 BWDORQCZVQWLPF-MRXNPFEDSA-N 482.404 2.113 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1Cc1cccc(C(=O)NCC)c1)[C@@H]1CCS(=O)(=O)C1 1507621783 CIFXZQOVIMAOIH-YLJYHZDGSA-N 457.600 2.216 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1ccc([C@@H](C)O)cc1)[C@@H]1CCS(=O)(=O)C1 1507631402 OZSQLGYWFUCIPV-WIYYLYMNSA-N 465.579 2.377 30 10 JEEE C#CCN(c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC(=C)Cl)[C@H]1CCS(=O)(=O)C1 1507631692 RRGWEBNTYIFFQL-INIZCTEOSA-N 486.985 2.054 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCN(C)[C@@H]1c1cccs1 1507660200 OCSZWROGGRGEBA-ZVDOUQERSA-N 488.683 2.496 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCN(C2CC2)C1 1507680961 PDKFWMODPRIKKJ-SFHVURJKSA-N 456.616 2.139 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2CC[C@@H](C(F)F)N2CCOCC2)CC1 1507740734 XXOICSIXVRHKJF-NRFANRHFSA-N 492.615 2.333 30 10 JEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(N(C)C)Cc3ccccc3C2)CC1 1507880974 LTRPINLMMJIGQM-GOSISDBHSA-N 458.632 2.144 30 10 JEEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](C)CNC(=O)OC(C)(C)C)CC1 1507885213 VAPZEKUAXJOWMB-SJORKVTESA-N 453.609 2.497 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1508136043 PAPNXAHQTRYKMO-BSRJHKFKSA-N 476.599 2.327 30 10 JEEE C#CCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCN(CC(=O)NCC)CC1 1539102688 YSIFJKNBCFTVNK-UHFFFAOYSA-N 489.418 2.388 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCN(CC(F)(F)F)C1)[C@H]1CCS(=O)(=O)C1 1539216331 QNKFYNRXCSGWKH-MSOLQXFVSA-N 496.559 2.159 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1Cc1ccc(N2CCOCC2)c(F)c1)[C@H]1CCS(=O)(=O)C1 1539219742 MFXIMJLXKFQGAU-FQEVSTJZSA-N 489.617 2.127 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCCN1CCOCC1 1539540833 WLZCRBCXAQJWGZ-XMMPIXPASA-N 471.627 2.453 30 10 JEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 1539721800 HYEKFUPYGGLBSY-IBGZPJMESA-N 460.623 2.484 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1539751217 INZJPCIIJZPEIR-RBUKOAKNSA-N 497.662 2.466 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCOC(C)(C)C1 1540186587 FASUQWIPWJGNDA-IBGZPJMESA-N 477.631 2.119 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1540865578 LFQQSFWJEGHGFM-WBVHZDCISA-N 473.375 2.033 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1540865602 LVHWIOSHZUFLTA-HXUWFJFHSA-N 499.593 2.433 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1540875689 UVQHODVHRUDFDX-MRXNPFEDSA-N 470.020 2.149 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cc(Cl)ccc2OC)C1 1540882200 DJFQQIJYTRYAFI-PBHICJAKSA-N 469.995 2.380 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CCN1CCC[C@H]1C 1541670867 HOSQMRILFWGFPH-OAQYLSRUSA-N 478.645 2.485 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cn(-c3ccc(C(F)(F)F)cn3)nn2)[C@@H](C#N)C1 1543734329 FYVAQQNPXKEORD-ZDUSSCGKSA-N 451.409 2.266 30 10 JEEE COCCN(CCC#N)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@]1(O)CCSC1 1555555361 AMYJDLMTYLFJCM-KRWDZBQOSA-N 455.382 2.270 30 10 JEEE C#CC[C@H](CO)NC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 1556832633 DPHKCTLEJYOTBN-CYBMUJFWSA-N 452.882 2.260 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](NS(=O)(=O)c2cc3c(cc2Cl)CCC(=O)N3)[C@H](C#N)C1 1561453202 BWHBPQZJPSEHCN-IUODEOHRSA-N 454.936 2.262 30 10 JEEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(I)c(C)n2)c1 1569520074 MWHREPUJHSPZSP-UHFFFAOYSA-N 455.277 2.158 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OCC)CCOC3)n2CC[C@@H]2CCOC2)c1 1587689637 OAWSALRXXLSNSW-CJFMBICVSA-N 467.570 2.413 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CC1CCN(CCC)CC1)[C@H]1CCS(=O)(=O)C1 1588065464 YYGMKCXZYAHCAS-QFIPXVFZSA-N 470.643 2.013 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCn1ccnc1C 1588233991 XXDBZMAHUMCZKO-FQEVSTJZSA-N 467.574 2.255 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC[C@@H](OC)C(F)(F)F 1588629017 UBPOTSHKVAGAGC-QGZVFWFLSA-N 478.475 2.245 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C[C@H]2CCOC2)C1 1589069016 HJEXBOZPPURSLA-GUDVDZBRSA-N 452.646 2.190 30 10 JEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 1593689612 AMLRFRFVTIPJEB-UHFFFAOYSA-N 470.549 2.208 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1595477480 VMWNJCUORIEWAV-TZIWHRDSSA-N 485.608 2.076 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccc3F)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1595738051 KSBGVPCFQVLAMQ-KGNHYALCSA-N 466.517 2.316 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCCN(Cc2ccc(OC)cc2)C(=O)C1 1595784528 ICRTWEMCYSWGDI-UHFFFAOYSA-N 498.609 2.122 30 10 JEEE CCOC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1616000996 IFHRTNMYFOBRJC-NRFANRHFSA-N 495.584 2.266 30 10 JEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1 1636087262 FURRURFCYRVJGT-HNNXBMFYSA-N 456.499 2.306 30 10 JEEE C#CCOc1cc(F)ccc1NC(=O)N(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 1668996104 CZFKGWQMIBARJM-UHFFFAOYSA-N 450.448 2.188 30 10 JEEE C#CCN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1(C)CC1)[C@H]1CCS(=O)(=O)C1 1689977692 AOVVVTPCWSHWMI-SFHVURJKSA-N 476.002 2.288 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCCc1nnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1689983883 IFXIXCWVPOZGDT-LJQANCHMSA-N 481.607 2.236 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)o2)n1Cc1cccc(NC(C)=O)c1)[C@@H]1CCS(=O)(=O)C1 1689984064 KPSLEUPVVVSXMQ-HXUWFJFHSA-N 467.551 2.480 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1cc(C(C)(C)C)no1)[C@@H]1CCS(=O)(=O)C1 1689992723 OGZADUOYQUZIEH-GOSISDBHSA-N 468.583 2.224 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCO[C@H]1CCOC1 1690029806 IPTIKULEUCGIKV-ZCNNSNEGSA-N 457.575 2.317 30 10 JEEE C#CCN1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CC(F)(F)Br)CC1 1690124032 DFOZLHGTCWMZPT-UHFFFAOYSA-N 495.376 2.195 30 10 JEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)N2CCN(c3ccccc3)CC2)CC1 1690364805 XSVXGQZXWMSMST-RTWAWAEBSA-N 487.674 2.255 30 10 JEEE C=C1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2nncn2CC)CC1 1690375734 SBHSUCBBRVRTQI-QGZVFWFLSA-N 458.567 2.403 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1690433117 SFLMAJUIKFHZTO-IRXDYDNUSA-N 458.650 2.186 30 10 JEEE C=CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN2C(=O)OC[C@H]2C1 1690454054 SKOCKQZFCYHTEO-GOSISDBHSA-N 474.587 2.193 30 10 JEEE C=CCNC(=O)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCO[C@@H](CNC(C)=O)C1 1690660335 FFPBCWPCJUCSRD-IBGZPJMESA-N 495.609 2.021 30 10 JEEE Cc1nc2ccccc2n1CCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1 1693369772 GBNHCWDQPUHVRF-YCRPNKLZSA-N 474.566 2.079 30 10 JEEE CCN(CCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@](F)(C#N)C1)S(C)(=O)=O 1695738355 GXZDBJPNOIDEEL-OAQYLSRUSA-N 480.566 2.076 30 10 JEEE CCOCc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CCN1CCOCC1(C)C 1696331445 FWJBWRIUWIEJSW-UHFFFAOYSA-N 471.581 2.263 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2Cc2ccc(C)n(C)c2=O)c1 1705507126 RTYPBHVXBDWGMG-NRFANRHFSA-N 474.565 2.284 30 10 JEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1705516645 GORUXMWPXROCNJ-LJQANCHMSA-N 465.620 2.288 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCCC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1705559898 GSBQZMIGRJFLNC-MJGOQNOKSA-N 491.589 2.052 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1705592290 HBSWGEMHPHVMGF-MRXNPFEDSA-N 463.966 2.482 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@]1(O)CCSC1 1705630756 FRXKWMIOSCXXHV-HYFFOGBASA-N 465.620 2.003 30 10 JEEE C=C(Cl)Cn1c(N2CCN(CC(=O)N3CCCC[C@H]3C)CC2)nnc1[C@@]1(OCC)CCOC1 1705760213 CVTADNJJVSXCMX-AUSIDOKSSA-N 481.041 2.206 30 10 JEEE C=CCCOCCn1c(-c2cc(F)ccc2Br)nnc1N1CCO[C@H](C(=O)NC)C1 1705826799 JZDGGMALHKKNAN-KRWDZBQOSA-N 482.354 2.391 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](c2nccs2)C1 1705906834 QDMHSGDUFDTCGT-SFHVURJKSA-N 465.539 2.065 30 10 JEEE CC[C@@H](C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cnn(C)c2)CC1 1708621065 DCLKGSSAPINJKG-GOSISDBHSA-N 461.574 2.182 30 10 JEEE CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2cccnc2)CC1 1710045837 DDIHVTYLQNNPJK-UHFFFAOYSA-N 472.597 2.445 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(F)cc2Br)n1C[C@@H]1CCS(=O)(=O)C1 1722376910 HSMRTKRYUPKAOR-AWEZNQCLSA-N 465.348 2.354 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCC1CCOCC1 1722385098 ZSEKJMUUGAHPHN-FQEVSTJZSA-N 457.575 2.476 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(COC)CCOCC1 1722420012 FJSAOZVRAYCLPF-HXUWFJFHSA-N 490.601 2.402 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)CC)n2Cc2ccc(N3CCN(CC)CC3)nc2)CC1 1722432172 UWJJXMHQHGDISU-OAQYLSRUSA-N 450.635 2.132 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](CC(C)C)NC(=O)OCC)CC1 1722439529 FYGVGWOYEYBSEG-OAQYLSRUSA-N 453.591 2.180 30 10 JEEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCCO[C@H](C)c2ccccc2)CC1 1722441958 VDIOZSODNRRQLH-OAQYLSRUSA-N 450.587 2.324 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CCCN2CCCO[C@H](C)C2)CC1 1722446169 PVDOZJWQCNCMJK-OAQYLSRUSA-N 479.629 2.115 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2cc(F)ccc2F)CC1 1722453274 QRQBDEJQTIICOR-UWJYYQICSA-N 473.524 2.294 30 10 JEEE C#CCSCCn1c(N2CCN(C(=O)c3ccsc3)CC2)nnc1[C@@]1(OCC)CCOC1 1722464261 ZPGZHWWUHNFGDQ-JOCHJYFZSA-N 475.640 2.321 30 10 JEEE C=CCC(C)(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1722591395 MMXRWQWYVBFTKT-WOJBJXKFSA-N 483.617 2.415 30 10 JEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 1722617240 IHECARATVDIFQR-WOJBJXKFSA-N 477.635 2.232 30 10 JEEE C=CCCOCCn1c(CC(C)C)nnc1N1C[C@@H]2[C@@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1722629761 NXHCVLCPVIDZCK-QYZOEREBSA-N 497.662 2.196 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(c2nccc(OCC)n2)CC1 1722693429 NLPDKSIKWQWFQJ-UHFFFAOYSA-N 482.976 2.416 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1722700845 XEPOSCHZUFLDRS-HKUYNNGSSA-N 469.590 2.306 30 10 JEEE COCCN(CCC#N)c1nnc([C@H]2CCCCO2)n1C[C@]1(N2CCOCC2)CCSC1 1730762152 ATTNNEHWYXLCCV-DENIHFKCSA-N 464.636 2.094 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCN(S(C)(=O)=O)C1 1740563987 YNTHXVHNDJBTAH-BZSNNMDCSA-N 480.635 2.090 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCO[C@H]1C(=C)C)[C@H]1CCS(=O)(=O)C1 1740617993 AIDCWDBDIPKSQA-FKBYEOEOSA-N 465.579 2.425 30 10 JEEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1740661861 LAHHJMVHNNSRMV-YWZLYKJASA-N 452.964 2.081 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CCNC(=O)c2cccc(C)c2)CC1 1740706550 VYSHOFFQJVDZNZ-UHFFFAOYSA-N 485.592 2.353 30 10 JEEE C#CCSCCn1c(COc2ccccc2F)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1740723225 PQPHLUCQSAKJSS-QGZVFWFLSA-N 458.563 2.403 30 10 JEEE C=C(Br)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1740744418 ATBMJUIIDLFTCT-PBHICJAKSA-N 498.403 2.217 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCC(NC(=O)COC)CC1 1740761895 ZQFLMXVDANLWAW-JTSKRJEESA-N 474.631 2.346 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2cc(C)ccc2OC)CC1 1740825791 UOGYMRZXMVTSOD-NRFANRHFSA-N 475.615 2.327 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1 1740966098 PHTRGRDLBZPSQM-HKUYNNGSSA-N 492.621 2.188 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H]2CCS(=O)(=O)C2)C1 1740985837 ULDATNCTWUBZID-WJFTUGDTSA-N 452.621 2.413 30 10 JEEE C=CCS(=O)(=O)CCn1c(N(C)C[C@H]2CCOC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740994767 WKHRZECHFGEDKT-KURKYZTESA-N 483.635 2.122 30 10 JEEE CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)CNC(=O)OC(C)(C)C)CC1 1748282146 DHXXDAHERCSKOX-QGZVFWFLSA-N 482.589 2.439 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CC3)n2C[C@@H](C)N2CCN(CC)CC2)c1 1748694851 QUODAFKXDTYBTG-HXUWFJFHSA-N 463.630 2.313 30 10 JEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCNC(=O)c1ccc(C)cc1 1748790167 WIWUDUNKDDISNU-HXUWFJFHSA-N 482.585 2.394 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1CC(C)(C)C(=O)NCC)[C@@H]1CCS(=O)(=O)C1 1748810406 VSBHHCXRIIHRAD-GOSISDBHSA-N 457.600 2.043 30 10 JEEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1C[C@@]1(C)CCCO1)[C@H]1CCS(=O)(=O)C1 1748824536 PZIHNVALRZBJIK-FDDCHVKYSA-N 474.583 2.062 30 10 JEEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1C[C@H]1CN(CC(C)C)CCO1 1748897209 XHDQLNQMTKFLIS-HSZRJFAPSA-N 459.598 2.336 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@H](C2CC2)N(C)C)CC1 1749019086 KISAZFJEPGPEOU-JOCHJYFZSA-N 468.577 2.302 30 10 JEEE C=C(Br)Cn1c(-c2ccccn2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1749098453 AAZKCWNPCDJRFY-HNNXBMFYSA-N 460.380 2.038 30 10 JEEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1749352201 GVIAQJHFCJXRDO-UHFFFAOYSA-N 499.660 2.057 30 10 JEEE C=CCCOCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1749454677 LEJQWTWXKCYOAQ-KRWDZBQOSA-N 458.563 2.340 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CN2CCCC2=O)n1C[C@@]1(OC)CCOC1 1749536442 KUQGAQLKLAUGAU-DEOSSOPVSA-N 450.543 2.270 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(Cc3ccc(F)cc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1749715144 PZFSKPWETYYLEC-CWJYSFMFSA-N 466.517 2.316 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@]2(CCOC2)C1 1749721502 MDUVWLFHIJUNDL-QHCPKHFHSA-N 473.599 2.365 30 10 JEEE CC(C)(C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ncccn2)CC1 1750114183 HUHQZLQPEYKBRQ-UHFFFAOYSA-N 459.558 2.096 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1CCCN(C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1760189800 LVANSMUGHLCERE-HXUWFJFHSA-N 461.607 2.365 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CCc1csc(CC)n1)[C@@H]1CCS(=O)(=O)C1 1760189989 NDJVFRPGRVPRBR-LJQANCHMSA-N 470.624 2.152 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1Cc1cnccc1OC)[C@H]1CCS(=O)(=O)C1 1760190680 UBTZPBWNEMIOBY-IBGZPJMESA-N 469.542 2.087 30 10 JEEE C#CCN(c1nnc(COc2ccccc2OCC)n1C[C@H]1CCCOC1)[C@@H]1CCS(=O)(=O)C1 1760193347 XMFFGPQCJVQRRH-WOJBJXKFSA-N 488.610 2.309 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(COc4ccccc4)o3)n2CC(=O)NCC=C)CC1 1760255654 FVNOAUNXLSHPKB-UHFFFAOYSA-N 460.538 2.175 30 10 JEEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1760283886 CFNAQLUDUGIPTC-UHFFFAOYSA-N 462.579 2.298 30 10 JEEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 1760284848 SZZWJZVEPLTHAW-QHCPKHFHSA-N 479.654 2.362 30 10 JEEE C=C(Br)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CCn1cccn1 1760305384 COLOBGDTLADPLH-UHFFFAOYSA-N 469.347 2.434 30 10 JEEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1760380694 KUODAJKGRYEYTG-SEVLPDGMSA-N 481.041 2.134 30 10 JEEE C=CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1CC1(O)CCS(=O)(=O)CC1 1760457626 ZTLMYRBOWACKNS-UHFFFAOYSA-N 485.404 2.278 30 10 JEEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1760513660 UMSOAYJHFYADKK-OAHLLOKOSA-N 462.576 2.186 30 10 JEEE CCOc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCOC[C@@H]2OC)cc1OC 1767548392 GSTPRRAXGFGZLH-OPYAIIAOSA-N 457.531 2.133 30 10 JEEE COc1ccc(CCn2c(CN3CCCC3=O)nnc2N2CC[C@@](F)(C#N)C2)c(OC)c1OC 1770161470 ICQGQSSZZFGVOS-HSZRJFAPSA-N 472.521 2.111 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1c(C)noc1C 1771100140 HQOVSUBWGTUEDZ-HXUWFJFHSA-N 484.582 2.358 30 10 JEEE CO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2C[C@H](C)O[C@@H](C)C2)C1 1771326894 DJQMKAVGIKZUGQ-CNNODRBYSA-N 454.575 2.453 30 10 JEEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1[N+](=O)[O-] 1862754705 PYYMHCMURXUJHX-GOSISDBHSA-N 454.395 2.217 30 10 JEEE COc1ccc(NC(=O)[C@H](CO)NC(=O)C2CCN([C@@H](C#N)c3cccs3)CC2)cc1OC 1866867309 OCJDAURWCMEDSJ-ROUUACIJSA-N 472.567 2.158 30 10 JEEE CCCCCCCCn1cc(OCC(=O)OCC)c(=O)cc1CN1CCN(CCO)CC1 1870694427 CMEJSETXIPLSRM-UHFFFAOYSA-N 451.608 2.261 30 10 JEEE CCCCCCCCCCN1C[C@H](C(=O)N2CCC(C(=O)NCCNC(C)=O)CC2)CC1=O 1872928306 JIOGCFARHXMSJN-JOCHJYFZSA-N 464.651 2.467 30 10 JEEE CCOc1ccccc1/C=N/Nc1cnn([C@@H]2CCS(=O)(=O)C2)c(=O)c1Br 1873527324 UJZZILBPOSBBNA-VDLQQMNMSA-N 455.334 2.210 30 10 JEEE Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CC[C@@H](Oc4cc(C#N)ccn4)C3)C2)cc1 1890143615 CLSRZNJDAOVNDA-VQTJNVASSA-N 454.552 2.342 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O 2060127619 KGVLOEGDMOEFEW-GVDBMIGSSA-N 454.568 2.450 30 10 JEEE C#C[C@@]1(C)COCCN1C(=O)c1cc(I)cc(I)c1O 2237124579 YHYYAFOFWVOHQP-AWEZNQCLSA-N 497.070 2.466 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C[C@@H](O)C1 2255706373 IEGMVVBXWJODTM-CQSZACIVSA-N 452.382 2.101 30 10 JEEE Cc1c(C(=O)N[C@H]2CCN(C(=O)OCc3ccccc3)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2255816507 GPJFSFXDBLAABT-SFHVURJKSA-N 468.363 2.169 30 10 JEEE CON(C(=O)c1csnc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2255844273 UIYTWBYTOFDDCU-ZDUSSCGKSA-N 453.370 2.455 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2255951115 ZLHGJUGNOBHIJS-RHSMWYFYSA-N 452.382 2.177 30 10 JEEE C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)s2)CO1 2256620357 HLGABINLSVAGJI-CHWSQXEVSA-N 453.370 2.405 30 10 JEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)o1 2267130814 SQLUGVWTMZEQOC-GOEBONIOSA-N 450.341 2.251 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H]1NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2267364515 AHSFWIBBSJORCD-CXAGYDPISA-N 470.372 2.316 30 10 JEEE CC[C@@H](CN(CC)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)NC(=O)OC(C)(C)C 2267494033 BHQTUHYSDNZWAE-HNNXBMFYSA-N 450.389 2.485 30 10 JEEE Cc1cc(C(=O)NCC2(O)CC(NC(=O)OC(C)(C)C)C2)oc1B1OC(C)(C)C(C)(C)O1 2267527951 OSFNMLWVIGCHGJ-UHFFFAOYSA-N 450.341 2.035 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H]1C[C@@H]1CNC(=O)OC(C)(C)C 2267703359 VECXNEXTJPBVCM-WBVHZDCISA-N 466.409 2.486 30 10 JEEE C[C@H](CNC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 2281805761 CRHSWCOTPOLDIM-JLCFBVMHSA-N 481.424 2.180 30 10 JEEE CC[C@@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2CN1C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2281931249 SOKFKTUWFSJUPQ-USXIJHARSA-N 460.384 2.426 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1C[C@@H](F)CN(C(=O)OC(C)(C)C)C1 2282012736 ZWRUBEINGYZPHP-HUUCEWRRSA-N 466.363 2.105 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@H](CNC(=O)OC(C)(C)C)C1(C)C 2282036744 MRQXADSGYLKBKO-OAHLLOKOSA-N 462.400 2.485 30 10 JEEE Cc1cnc(C(=O)Nc2n[nH]c(CNC(=O)OC(C)(C)C)n2)c(B2OC(C)(C)C(C)(C)O2)c1 2282059035 CZYTWYCGAYINCY-UHFFFAOYSA-N 458.328 2.084 30 10 JEEE CC1(C)OB(c2ccc(F)cc2C(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)OC1(C)C 2282406740 OIEADMULMTXKRF-RUZDIDTESA-N 454.351 2.492 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H](CNC(=O)OC(C)(C)C)CC1(C)C 2282485715 LXAZGQQIQAQUBQ-OAHLLOKOSA-N 462.400 2.485 30 10 JEEE C[C@@H]1CN(C(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)C[C@@]1(C)CNC(=O)OC(C)(C)C 2282569642 USFMNBNQERXJRA-IQMFZBJNSA-N 462.400 2.342 30 10 JEEE Cc1c(C(=O)N2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282593149 MKPOCQAFNBEUFN-INIZCTEOSA-N 462.400 2.499 30 10 JEEE CC(C)(C)OC(=O)N1CC2(CC[C@H](CNC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)c[nH]3)O2)C1 2282644679 FFYWJJCTPBDMBG-MRXNPFEDSA-N 461.368 2.212 30 10 JEEE CC1(C)OB(C2CC(C(=O)N3CC(O)(C4CCN(C(=O)C(F)(F)F)CC4)C3)C2)OC1(C)C 2282655917 RJQDWOSIGNRTKW-UHFFFAOYSA-N 460.302 2.233 30 10 JEEE CC1(C)OB(c2ccc(C(=O)NC[C@]3(O)CCCN(Cc4ccccc4)C3)nc2)OC1(C)C 2282676182 ICACQLIRKNTJAC-RUZDIDTESA-N 451.376 2.138 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1C(F)F 2282685908 LWBQBIYYAPODSC-GXTWGEPZSA-N 468.310 2.006 30 10 JEEE CN([C@H]1CCCN(Cc2ccccc2)C1)S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282843663 QRNTZDCIKGYOIE-IBGZPJMESA-N 474.436 2.004 30 10 JEEE COC(=O)[C@H](CC(=O)NCc1sc(C)cc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2283917105 YRQKZUPQNOIXIB-HNNXBMFYSA-N 482.408 2.428 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1 2285206051 UBRPVMVLCQMWRX-OAQYLSRUSA-N 451.376 2.320 30 10 JEEE CC(C)(C)OC(=O)NCCCC[C@@H](NC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2289795629 HHHZBQLLPDZFTL-CQSZACIVSA-N 483.396 2.320 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H]1NC(=O)c1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1O 2339416145 SFQBTJKMROAUGO-BLLLJJGKSA-N 450.316 2.474 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H]2OCCN(C(=O)c3cnsc3B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2362499418 TVLAKQDPKHWNCI-CVEARBPZSA-N 479.408 2.293 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2[C@H]3CC[C@@H]2CN(C(=O)OC(C)(C)C)C3)n1C 2362569822 QJNYGVMEIHWZQA-IYBDPMFKSA-N 460.384 2.252 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@H]2C[C@H](NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)c[nH]3)C[C@H]21 2368868632 ZGRJHCUBQJXHNB-KBAYOESNSA-N 461.368 2.211 30 10 JEEE Cc1ccc(-n2c(=O)/c(=C\c3ccccc3Br)s/c2=C(\C#N)C(N)=O)c(C)c1 12566895 YMBPWRHUQZCSPL-CALZSBRTSA-N 454.349 2.267 30 10 JEEE CC(=O)c1ccc(NC(=S)/N=C(\NCCN2CCOCC2)Nc2nc(C)cc(C)n2)cc1 14158233 BJTFAWVAJBXOBI-UHFFFAOYSA-N 455.588 2.383 30 10 JEEE COc1cccc([C@H]2c3c(nc(NCc4ccc5c(c4)OCCCO5)[nH]c3=O)NC(=O)[C@@H]2C#N)c1O 72461304 MPWXMYXXHYYTNG-DNVCBOLYSA-N 489.488 2.481 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)NCC(=O)N3CCN(c4ccc(Cl)cc4)CC3)cc2C1=O 504933808 XSRULJNECBLHJB-UHFFFAOYSA-N 466.925 2.201 30 10 JEEE COc1ccc(CCNC(=O)C[S@@](=O)CC(=O)Nc2sc3c(c2C#N)CCC3)cc1OC 586304838 YSEQOGDIXRVXKB-JGCGQSQUSA-N 475.592 2.172 30 10 JEEE CCN1C(=O)[C@H](CC(=O)Nc2ccc(C(C)=O)cc2)S/C1=N/Cc1ccc(S(N)(=O)=O)cc1 726402304 FCMZYRVNNGACRK-DRGFOCDESA-N 488.591 2.385 30 10 JEEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCc2c(Br)ccc(F)c2C1 1267918065 FKUVQKJNBCMMAS-UHFFFAOYSA-N 452.305 2.212 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1ccc(OC)cc1F)[C@H]1CCS(=O)(=O)C1 1286396932 YYZPKXKZCRPPOB-IBGZPJMESA-N 469.542 2.087 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCC=CO1 1286420491 HVJODZOHEDWBMH-FQEVSTJZSA-N 453.568 2.351 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](C)N(CC)CC 1286439346 PMQWIBKDBJTRHI-LJQANCHMSA-N 455.632 2.431 30 10 JEEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1286503165 AYCPYARQRLGCRZ-LJQANCHMSA-N 467.643 2.276 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2CC)n1CCC[C@@H]1NC(=O)NC1=O 1286529105 STNQWQPMOAEZRH-MHECFPHRSA-N 450.543 2.400 30 10 JEEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1286537071 WBNGWCJVPWHYFP-TZMCWYRMSA-N 457.329 2.180 30 10 JEEE C=CCCOCCn1c(-c2cc(Br)cn2C)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1286709230 ZKGIDEVDVBUKPT-HNNXBMFYSA-N 472.409 2.262 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(Cl)c(OC)c1 1286727530 SMWGYWRPHIXEAW-SFHVURJKSA-N 469.995 2.138 30 10 JEEE C=CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CC(C)(C)CN1CCOCC1 1286773599 SNTZDFYQTZDATN-UHFFFAOYSA-N 451.575 2.173 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1286783646 XURXBHUYMLWUEA-UHFFFAOYSA-N 479.976 2.141 30 10 JEEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H](c2ccc(C)cc2)N(C)C)CCOC1 1296663024 GUGPPQMNMONGDF-ZFGGDYGUSA-N 454.575 2.270 30 10 JEEE COc1cc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(CC#N)CC2)cc(OC)c1OC 1299886751 GHONUIPXBHLEJD-GOSISDBHSA-N 489.598 2.384 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1c(CC)nn(C)c1OC 1300532102 NDLYICWJJJYCHQ-UHFFFAOYSA-N 456.510 2.020 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc3ccccc3o2)n1CCN/C(O)=C1\N=CC=CC1=O 1300657120 SERFEOYQVHUNNT-XTQSDGFTSA-N 460.494 2.304 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCSCC#C)CC1 1300718675 DXBOWBXZDYZPOY-UHFFFAOYSA-N 467.595 2.295 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1CCNC(=O)c1cccc(OC)c1 1300788517 CCFJZQGSCPLWPH-JWQCQUIFSA-N 467.570 2.361 30 10 JEEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1300853096 JUSILQGEEZFYNY-UHFFFAOYSA-N 494.463 2.287 30 10 JEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1300972227 JCKCSWRBNZNPMH-UHFFFAOYSA-N 461.636 2.110 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1301576002 OWQPNRLRXWWZOU-APWZRJJASA-N 460.560 2.127 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1358882201 VETSQNLQSXSGMV-YFUCQSNDSA-N 464.526 2.337 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2Cc2cccnc2OC)c1 1358902714 WVKFZFYSDMDLHR-UHFFFAOYSA-N 454.494 2.243 30 10 JEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1C[C@H]1CC(F)(F)CO1)[C@@H]1CCS(=O)(=O)C1 1358966837 XSICYSUEPGQOTD-UYAOXDASSA-N 494.564 2.123 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccc(OC(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 1358967049 CHFYISMQJQTAPU-SJLPKXTDSA-N 466.510 2.406 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1Cc1ccc(C)n(C)c1=O 1358976876 VIXSBNGJGWWXJE-UHFFFAOYSA-N 481.560 2.364 30 10 JEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)c2ccccc2F)CC1 1359056104 XZCKPWYSKLYHAP-IBGZPJMESA-N 470.574 2.087 30 10 JEEE C=C(Br)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H](OCCOC)C1 1359087178 WTPLUDSTWFVVBM-CQSZACIVSA-N 470.393 2.420 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1359104332 AHKGKVMGVBOURJ-SXLOBPIMSA-N 467.636 2.409 30 10 JEEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H](C)CS(C)(=O)=O 1359122016 SOFHGTPJLWAVSV-HZPDHXFCSA-N 457.597 2.032 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1359192843 PWSFZIANWVACHI-RBUKOAKNSA-N 467.636 2.363 30 10 JEEE C=CCCOCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1359224120 HCCILESHRPRLBC-GOSISDBHSA-N 473.965 2.353 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCOCC1 1359261103 WSKIUXAGFGULCL-FQEVSTJZSA-N 477.606 2.234 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCN(CCOC)[C@@H](C)C1 1359295036 MYXCCSIEGVTUKH-KRWDZBQOSA-N 491.434 2.475 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CC[S@@](=O)CC)C1 1359322513 XBSMVIKPYGUQSL-GTJUCTONSA-N 459.620 2.002 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@H](c2nnc(N(CCC#N)CC3CC3)n2CCNS(C)(=O)=O)C1 1359555910 FQKNPUUQAXDKTI-SFHVURJKSA-N 495.650 2.072 30 10 JEEE COC(=O)CN(CCN1CCN(C)CC1)C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 1459552636 AHHQUHYXGWKYCE-UHFFFAOYSA-N 454.502 2.352 30 10 JEEE Cc1nc(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C(=O)C(C)(C)C)CC2)n[nH]1 1492691247 CHSDSXXSHOUUBA-UHFFFAOYSA-N 477.573 2.093 30 10 JEEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCNc1ccc(C(F)(F)F)cn1 1507616546 KUAMGKONGTZOJQ-AWEZNQCLSA-N 456.494 2.166 30 10 JEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)N(C)C1CCCCC1 1507616924 PPQNUKKJLOTZHI-LJQANCHMSA-N 474.606 2.447 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@]1(O)CCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1507630175 ULUSHTPMXZJZEI-PMAPCBKXSA-N 458.584 2.132 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1CCC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1507633701 GJQHXVXGHUPTEP-OAQYLSRUSA-N 472.611 2.321 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2ccccc2F)n1CC1(C(N)=O)CCOCC1 1507659785 FNEDVDKPLZIIHD-SFHVURJKSA-N 453.518 2.302 30 10 JEEE C#CCN(CC)c1nnc(-c2ccc(F)cc2Br)n1CCCNS(C)(=O)=O 1507682459 OYXXYNYFSBQBPS-UHFFFAOYSA-N 458.357 2.246 30 10 JEEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2CCCNC(=O)C2CCC2)CC1 1507726933 MPGBZYCETZVMAD-UHFFFAOYSA-N 450.587 2.227 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCOC[C@@H]1C 1507793753 BQHMIKTYQSRTPV-DSKINZAPSA-N 475.615 2.402 30 10 JEEE C=C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@H]2CCOC[C@H]2OC)CC1 1507877204 CLWPLRICRIXYFN-TZIWHRDSSA-N 475.615 2.403 30 10 JEEE C=CC[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1)c1ccccc1 1507930668 YXFVATQVFPLJAA-PMACEKPBSA-N 450.587 2.374 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1508091074 KFGFSEZQKQMISM-UHFFFAOYSA-N 486.458 2.266 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N(C)[C@@H]1C[C@@H](OCC)C1(C)C 1508141343 VJAKLHNYTLPVLS-QZTJIDSGSA-N 479.603 2.246 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1sccc1Br 1508410238 DQIBGPLUQHLIFZ-WDEREUQCSA-N 461.411 2.356 30 10 JEEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC[C@H]1C 1512330992 DLBSSKXKVNYBRX-GGPKGHCWSA-N 472.615 2.493 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@]1(C)COCCO1 1539003982 RNKKRZNYPYMGQM-OSPHWJPCSA-N 450.543 2.499 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@H](C)c1nc(C)cs1)[C@@H]1CCS(=O)(=O)C1 1539210189 BJPFACPMXPWEPO-DOTOQJQBSA-N 458.613 2.479 30 10 JEEE C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](CN2CCOCC2)C1)c1ccccc1 1539765608 GZPYVMGCTQEPIE-SFTDATJTSA-N 488.658 2.150 30 10 JEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2c(F)cccc2OC)CC1 1539981846 JOMJNKDARSKHNN-INIZCTEOSA-N 466.583 2.329 30 10 JEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1540004648 DADUNFGUCGPILF-NHCUHLMSSA-N 486.598 2.027 30 10 JEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1ccc(OC)c(OC)c1 1540858043 CRTQRZQSJUNUIO-XLIONFOSSA-N 477.587 2.156 30 10 JEEE C=CCNC(=O)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC(CC#N)CC1 1540873568 CFMODEFDMUIASO-UHFFFAOYSA-N 476.629 2.075 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@@H](C)C1 1540881079 XYECXGPLUNAEEX-PXNSSMCTSA-N 493.655 2.166 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H](COC)OC)C1 1540884175 LPTTZYFAIDWIAQ-HOTGVXAUSA-N 454.369 2.489 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)c(Br)c2)nnc1N(C)C[C@H](C)C(=O)NC 1540899207 HIMFKOHBVOTQQV-HNNXBMFYSA-N 498.447 2.435 30 10 JEEE CN(C[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCCO2)C1)S(C)(=O)=O 1554228768 GADAHJFGUOXMEB-CTNGQTDRSA-N 472.615 2.494 30 10 JEEE C#CC[C@@H](CO)NC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 1556832634 DPHKCTLEJYOTBN-ZDUSSCGKSA-N 452.882 2.260 30 10 JEEE C=CCOc1ccccc1CNC(=O)NCc1ccccc1S(=O)(=O)N1CCN(C)CC1 1564012139 VVPXJXMNPDSVAG-UHFFFAOYSA-N 458.584 2.187 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCOC[C@H]1CCCO1 1587633801 YTSXOGJQJJPFKQ-PZJWPPBQSA-N 453.591 2.496 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1C[C@H](c1ccccc1)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1588029203 FCKRZHJDMBWIKH-YMPZKCBVSA-N 485.654 2.492 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1588193293 AKYMANDDOVKVBX-NHCUHLMSSA-N 483.638 2.311 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCc2nnc(C)s2)CC1 1588899208 MSGFHABQMNFQMJ-UHFFFAOYSA-N 495.609 2.331 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Cl)n2C[C@H](C)N2CCOCC2)CC1 1588913569 NDVROFFQZLVTDX-SFHVURJKSA-N 471.005 2.285 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](Oc2ccccc2Cl)C1 1593636639 OZLUQNMSZSKWKU-QFBILLFUSA-N 482.006 2.498 30 10 JEEE C=C(C)COCCn1c(-c2ccc[nH]2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1593730474 XWCSVUMQJKWMAY-NRFANRHFSA-N 457.623 2.097 30 10 JEEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC(=O)N(C)C[C@H]1C 1593884784 KINAWGAISSFZJG-CABCVRRESA-N 454.959 2.006 30 10 JEEE C=CC[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](CNC(C)=O)C1)c1ccccc1 1594552726 RLAQHOYUWVAWJJ-FGZHOGPDSA-N 466.586 2.102 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1595516785 ITPZLKAZYSXOCF-INIZCTEOSA-N 470.530 2.079 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1595577617 YVFUPFODVNMEKC-RUZDIDTESA-N 479.585 2.262 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(Br)cc2)nnc1N1CCOC[C@@H]1C 1595823803 SNUXMYHLPPUGGM-HNNXBMFYSA-N 485.404 2.446 30 10 JEEE CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H]1[C@H]1CCCO1 1617331643 AGCWOTSBIQFIOU-WOJBJXKFSA-N 459.572 2.311 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@@H]1CCO[C@H]1C(=C)C)[C@@H]1CCS(=O)(=O)C1 1689992066 GPXWSENRCXDUAR-IMSXRSKXSA-N 484.622 2.485 30 10 JEEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1ccc(NC(=O)c2ccco2)cc1 1690025183 HVMPSGJJVFUCJV-UHFFFAOYSA-N 456.506 2.367 30 10 JEEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc(Br)s1 1690058961 FVRDSUIEETVCEZ-LBPRGKRZSA-N 460.423 2.415 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccc(C)n2)n1CCN1CCCS1(=O)=O 1690089961 RNABYUAYFDUOSB-UHFFFAOYSA-N 468.558 2.463 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2Cc2c(CC)nn(C)c2CC)CC1 1690146784 WTCNMWRKTSXZIX-IBGZPJMESA-N 467.618 2.045 30 10 JEEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1690163646 MNUVUJZZQNZYTD-NRFANRHFSA-N 473.990 2.174 30 10 JEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCCN(C(=O)CC2CCCC2)CC1 1690180735 KSFCOWLDMFQUNL-UHFFFAOYSA-N 472.659 2.386 30 10 JEEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1690182983 IXLUOCGXWWEDFH-IERDGZPVSA-N 461.613 2.020 30 10 JEEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](c2ccccc2)C1 1690508292 FPYIWCMDUTVYJK-SFTDATJTSA-N 475.615 2.198 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1690729098 GJPUNJQTKUYQJQ-QHCPKHFHSA-N 489.598 2.106 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(c2c(F)cccc2OC)CC1 1690731597 NEERNJHASOZFFG-LJQANCHMSA-N 479.578 2.205 30 10 JEEE C=CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(c2cnccn2)CC1 1690736366 BJNSIVAYUFXWHR-UHFFFAOYSA-N 485.639 2.384 30 10 JEEE COC[C@@H](Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CC[C@@](F)(C#N)C1)OC 1697760254 ANPBVCYQXKLMIV-WAIKUNEKSA-N 469.521 2.339 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccnc2)n1CC(=O)N1CCN(c2ccccc2)CC1 1705594903 WDHDDVYLZSJUAT-UHFFFAOYSA-N 453.550 2.152 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1cccnc1 1705628451 HFGMPTWNNHIICR-HXUWFJFHSA-N 470.574 2.310 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC2(C(N)=O)CCCC2)CC1 1705638982 CXKUOPAAHMCSSG-HXUWFJFHSA-N 499.660 2.194 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1cc(F)c(F)c(F)c1 1705895159 WCCMICUSPYRCNX-UHFFFAOYSA-N 459.432 2.281 30 10 JEEE CC(C)C(=O)NCCn1c(Cc2ccccc2F)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1706245013 GFGYHJCRURAYPS-SFHVURJKSA-N 491.575 2.157 30 10 JEEE CNC(=O)[C@@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2nccc(C(F)F)n2)C1 1711324611 DHMBMFHSFCOEJH-QHCPKHFHSA-N 482.495 2.467 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1CC1(N2CCOCC2)CC(OCC)C1 1722302458 IHHAVPLKCOWKKL-GZSFQLOGSA-N 478.597 2.457 30 10 JEEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1CCN1CCCS1(=O)=O 1722303585 PIEBLMIUSBSJAH-HNNXBMFYSA-N 482.404 2.113 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2CC2(O)CC(OCC)C2)c1 1722310657 YJTFYPVSNZFKAG-LGQZFRORSA-N 467.570 2.158 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CCN(C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1722365052 KELDWFNZYAMIJV-QFIPXVFZSA-N 464.595 2.027 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(C(=O)N3CCCC3)n2Cc2ccsc2)n1 1722427647 MMWIVVKGZYJBDU-UHFFFAOYSA-N 453.572 2.107 30 10 JEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)c2ccc(O)cc2)CC1 1722458567 NIHWCOCHIRBVRT-IBGZPJMESA-N 453.568 2.401 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1CCCCN1CCOCC1 1722475676 GETBVLJPNNREFS-HSZRJFAPSA-N 456.616 2.374 30 10 JEEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1722481899 CFSGFUKVMFWPKG-IRXDYDNUSA-N 469.428 2.117 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccc2OC)nnc1N1CCN(CC(=O)N(C)C)CC1 1722497304 UGSBTWSFWBTPKK-WMZHIEFXSA-N 468.602 2.145 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CC(=O)N(C)C[C@@H]1C 1722695803 QNHDJERLQCCWEC-KRWDZBQOSA-N 464.526 2.086 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1722702171 GDWSKFLILLHUDJ-IFMALSPDSA-N 496.612 2.167 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2cc3ccccc3[nH]2)C1 1722709868 AQTUXPNPWTZPEU-VQIMIIECSA-N 458.588 2.394 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N(C)Cc1nc(O)c2ccccc2n1 1722737055 RGWLJXRZFFVHNK-QGZVFWFLSA-N 458.544 2.016 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H](c1cccc(C)c1)N1CCOCC1 1727228761 AFEHYUMQNUMKRC-GOTSBHOMSA-N 495.628 2.307 30 10 JEEE CCCNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1728185726 DOARGSBWHGRZLZ-KRWDZBQOSA-N 477.491 2.238 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccccc2OC)n1Cc1cccnc1N1CCOCC1 1740682801 JTTFWSBOBKZRNP-UHFFFAOYSA-N 462.554 2.320 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCCO3)n2CC2CCN(C(C)=O)CC2)n1 1740688957 MIFPIGAOYOFBKB-HSZRJFAPSA-N 483.617 2.261 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCNC(=O)c1cc[nH]n1 1740722711 DECRVJSCDCNRLL-XMMPIXPASA-N 460.542 2.292 30 10 JEEE C=C(Br)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](NC(C)=O)C1 1740738168 GCFRXIOYOVBBFJ-INIZCTEOSA-N 482.404 2.362 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1740763102 YQRMYLFZLLGBAJ-ZVDOUQERSA-N 481.663 2.404 30 10 JEEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1740857482 ODUBHZXTZJOIPE-FQEVSTJZSA-N 471.650 2.440 30 10 JEEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1740944540 OUAVJYXMQZQVNO-IBGZPJMESA-N 456.572 2.253 30 10 JEEE C=CCOc1ccc(Cn2c([C@H](C)CC)nnc2N2CCN(C(=O)C(=O)NC3CC3)CC2)cc1 1740965189 FFURBIVGUZVTLL-GOSISDBHSA-N 466.586 2.332 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1740989034 YCCFLKNPJDNGGQ-FPOVZHCZSA-N 459.616 2.093 30 10 JEEE CCS(=O)(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](OC)C2CC2)CC1 1747435344 HIWRSPVTHKGOAA-FQEVSTJZSA-N 458.588 2.150 30 10 JEEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@]2(C)CCCO2)c1 1747600522 BSTBJINTUXPNGA-SFTDATJTSA-N 462.551 2.206 30 10 JEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCO[C@@H](c2ccccc2)C1 1748717675 FVEZMXRWOXUZEZ-YADHBBJMSA-N 487.626 2.383 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCN1CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1748824009 HEJCLMJBQPXMFV-DOIPELPJSA-N 477.675 2.308 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@]1(C)CN(C2CC2)C1=O 1748969571 WBSLWJHFLVWJJK-UQBPGWFLSA-N 486.617 2.447 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC2(C)CCOCC2)CC1 1749003712 SPCIZRWCWVXFBD-VWLOTQADSA-N 473.618 2.101 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CCCCN2CCC[C@@H]2CO)CC1 1749015131 SMFVXLHHDXGTBB-OAQYLSRUSA-N 458.651 2.069 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cc(F)cc(F)c1 1749066138 HKHWIKAMABBVJM-SIKLNZKXSA-N 479.553 2.124 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1749118688 IJWUVVKBTXHACQ-UIXUWTQFSA-N 493.634 2.020 30 10 JEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(CN3CCCC3=O)cc2)CC1 1749286928 VLBRKJNOFAMDFE-GOSISDBHSA-N 472.615 2.215 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@]2(O)CCN(C)C2)CC1 1749342678 LSXCYXQVQVPQAZ-CYFREDJKSA-N 476.622 2.056 30 10 JEEE C=CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1cn(C2COC2)nn1 1749488160 VYLALKWEASBMMV-INIZCTEOSA-N 458.567 2.226 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1NC(=O)CC1(C)C 1749547371 PGVKOURADMCDRD-PKOBYXMFSA-N 475.590 2.427 30 10 JEEE C=CCN(CCOC)c1nnc(-c2ccc3ccccc3n2)n1CC1(O)CCS(=O)(=O)CC1 1749594225 GXHIYLPKWHYAQW-UHFFFAOYSA-N 471.583 2.072 30 10 JEEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ncc(F)cn2)CC1 1749740812 KMVXKDDMTXOANC-UHFFFAOYSA-N 469.550 2.100 30 10 JEEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 1749740988 MGVGUKVAUSITIS-OAQYLSRUSA-N 497.669 2.263 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCS(=O)(=O)NC(C)C 1760111972 XWZZUMJAQWDVOH-QGZVFWFLSA-N 485.614 2.022 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CCCN2CCC(C)CC2)c1 1760128327 FNVSUHKHIZJMDC-JOCHJYFZSA-N 477.613 2.407 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1ccc(NC(C)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1760190070 XWKCPLZUXBMDPO-RTWAWAEBSA-N 471.583 2.153 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCN1C[C@H](C)O[C@@H](C)C1 1760202031 QNBJIYFQGFXBFC-SFTDATJTSA-N 487.608 2.247 30 10 JEEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1cccc(C(=O)NC)c1 1760219055 TVJRKONTPLNZBB-UHFFFAOYSA-N 482.592 2.323 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1760316442 RXRMSQNPAYXHCY-TVFCKZIOSA-N 496.659 2.212 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCOc1ccccc1Cl 1760346043 FOEARHONOJDHBU-SFHVURJKSA-N 469.995 2.356 30 10 JEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](CN2CCCCC2)C1 1760450899 VFRXKYREBDHVHR-VQTJNVASSA-N 451.637 2.085 30 10 JEEE C=CCCOCCn1c(Cc2csc(C)n2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1760453199 YCTZMZIIKZGOFT-UHFFFAOYSA-N 474.631 2.302 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCOC[C@H]1C 1760485022 QBJCMYKCVMZUJB-QUCCMNQESA-N 477.606 2.233 30 10 JEEE C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 1760506135 KIPUZQWODNNLHN-UHFFFAOYSA-N 467.555 2.012 30 10 JEEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1760513981 LYFOYBZKFQSYSH-KRWDZBQOSA-N 468.624 2.396 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCOC2(CCOCC2)C1 1760519603 JGXQEUQZAJNDTQ-UHFFFAOYSA-N 471.558 2.040 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCC(CC#N)CC2)nnc1[C@]1(OC(C)C)CCOC1 1760558535 RNAYFRDQALRWNH-NRFANRHFSA-N 451.593 2.050 30 10 JEEE CC(=O)NC1CCC(N(C)c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCO[C@H]2C)CC1 1760633497 HCLURTWQLMYDLX-FBIUPZEGSA-N 452.559 2.240 30 10 JEEE CC(C)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCO[C@H]2C)[C@H](C)C1=O 1761120720 DDYQJDRIQJHXPQ-NXMSCROESA-N 452.559 2.050 30 10 JEEE COc1ccc(CCn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@@H](C#N)C2)cc1F 1768596588 CQVNKCMNZIYNMY-INIZCTEOSA-N 451.462 2.045 30 10 JEEE COc1cc([C@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2CCNC(C)=O)ccc1O 1862641970 FKSHCUMYLCAIKH-FQEVSTJZSA-N 458.442 2.263 30 10 JEEE C=CCOc1ccccc1[C@@H]1C(C(=O)N(CCOC)CCOC)=C(N)Oc2c1c(C)nn2C 1865227354 IALJSPLUYKHAAV-FQEVSTJZSA-N 456.543 2.109 30 10 JEEE Cc1ccc2[nH]c(C(=O)O)c(/C=N/n3c(SCC(=O)NC4CCCC4)nnc(C)c3=O)c2c1 1873495404 RKMGFPSDTZPWEH-AUEPDCJTSA-N 468.539 2.468 30 10 JEEE COC(=O)CSc1nnc(Cc2ccc(OC)c(OC)c2)n1/N=C/c1ccc(O)c(O)c1 1874238714 GZDYAKIJJZKHRY-SSDVNMTOSA-N 458.496 2.445 30 10 JEEE COC(=O)c1ccc(CSc2nnc(CNC(C)=O)n2/N=C/c2cc(OC)ccc2OC)o1 1874432949 FVRFTCOOXJMGCI-AUEPDCJTSA-N 473.511 2.486 30 10 JEEE COCCc1nnc(SCC(=O)OCC(C)C)n1/N=C/c1cc(OC)c(O)c(OC)c1 1874474176 QAWPGYWCGPZDIX-UFFVCSGVSA-N 452.533 2.363 30 10 JEEE COc1ccccc1-c1ccc(N2CCC(C(=O)N(C)C3CN(c4nccnc4C#N)C3)CC2)nn1 1891530380 BRZDDZJVIRQDJB-UHFFFAOYSA-N 484.564 2.377 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)N[C@@]1(CO)CCN(C(=O)OC(C)(C)C)C1 2069749469 IZKCVQAYYRTKAJ-AOMKIAJQSA-N 454.568 2.452 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H]1C(=O)NCCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2180980988 ONTTUGYHKUVGFT-RBUKOAKNSA-N 460.380 2.015 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1[C@H]2C[C@@H](CN(c3ccc(B4OC(C)(C)C(C)(C)O4)cn3)C2)[C@H]1CO 2241093279 PKOVULQSIWDCSG-JSFADZTLSA-N 459.396 2.339 30 10 JEEE CN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1)[C@@H]1CCN(C(=O)OCc2ccccc2)C1 2247825548 GEHYYCLMTCACKV-QGZVFWFLSA-N 454.336 2.192 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@H](C)NC(=O)OC(C)(C)C 2255748607 GBMPLIFOZYUMMT-HNNXBMFYSA-N 454.398 2.486 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@]2(NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2255749385 SIIZYIFTWWZUSL-XCLFUZPHSA-N 470.422 2.335 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(I)c(N)c2)[C@@H](C#N)C1 2264041353 ZBDVGFQMCAOIGR-LBPRGKRZSA-N 456.284 2.458 30 10 JEEE COCC[C@H](CNC(=O)c1nc(C)sc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2267169072 WBCNDBSYPIMJCR-CQSZACIVSA-N 469.413 2.410 30 10 JEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2267241187 KLNGFHMBPGXFTC-HUUCEWRRSA-N 467.397 2.197 30 10 JEEE CN(C[C@H](O)CNC(=O)OC(C)(C)C)C(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1F 2267403693 QOIQCGVMAANQNP-CQSZACIVSA-N 452.332 2.083 30 10 JEEE CCc1nn(C)c(C(=O)N[C@H](CC)CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267508407 DSPFNIXACMNENA-CQSZACIVSA-N 450.389 2.315 30 10 JEEE C[C@@H](CCCN(C)C(=O)OC(C)(C)C)NC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2267511019 VTKGMHJUWCOWFC-HNNXBMFYSA-N 450.389 2.485 30 10 JEEE CCN(CCCNC(=O)c1c(C)nn(C)c1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2267528651 GOPVWCWLBJAOMR-UHFFFAOYSA-N 450.389 2.405 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2csc(B3OC(C)(C)C(C)(C)O3)c2)CC[C@H]1CO 2267552969 KOOQTIIYEITKDP-GOEBONIOSA-N 466.409 2.395 30 10 JEEE CN(Cc1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(=O)[C@H]1C[C@H](O)CN1C(=O)OC(C)(C)C 2268652494 UXDLOMLVOLUELY-DOTOQJQBSA-N 466.409 2.376 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H](C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)O1 2268711523 MKYCGCMHHYHCFN-KBPBESRZSA-N 467.397 2.131 30 10 JEEE CC(C)(C)OC(=O)NC12COC(C(=O)NCc3sccc3B3OC(C)(C)C(C)(C)O3)(C1)C2 2268722670 FOTDFAYVGASQBQ-UHFFFAOYSA-N 464.393 2.490 30 10 JEEE Cc1c(C(=O)N2C[C@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281990028 HUDWLXXBKJBXJD-GJZGRUSLSA-N 462.400 2.498 30 10 JEEE C[C@@H]1C[C@H](CNC(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)CN(C(=O)OC(C)(C)C)C1 2282039600 XRTSXOVFLUMEOQ-HZPDHXFCSA-N 462.400 2.342 30 10 JEEE CN([C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21)S(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2282334601 DPXAWEUKIMFVOR-BWTSREIZSA-N 478.420 2.472 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H]3CC[C@H](C2)C3NC(=O)OC(C)(C)C)n1 2282552575 RDULVFXKRHLUTB-FKEKPDDDSA-N 460.384 2.095 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H]1COC[C@H]1NC(=O)OC(C)(C)C 2282553193 WBYAXDATJJFBDS-DLBZAZTESA-N 462.352 2.016 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2CCCN(C(=O)c3ncc(B4OC(C)(C)C(C)(C)O4)cn3)[C@H]2C1 2282623834 HTPWBPWTWGYDPH-WBVHZDCISA-N 458.368 2.247 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)[C@H](CO)C1 2282686374 RMFJGADBTJSPMF-PKOBYXMFSA-N 460.380 2.334 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](CNC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C12CC2 2283067891 HABWEAFFQPZREO-HNNXBMFYSA-N 458.368 2.295 30 10 JEEE COc1ccc(NC(=O)C2(O)CC(NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2284052475 YEFABGGPTADGKP-UHFFFAOYSA-N 462.352 2.351 30 10 JEEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)[C@@H](CCC(N)=O)NC(=O)OC(C)(C)C 2284053362 NQUXKPRXPOOCEB-OAHLLOKOSA-N 481.424 2.165 30 10 JEEE COC(=O)[C@@H](CS(=O)(=O)Nc1ccc(C#N)c(Cl)c1)NC(=O)OCc1ccccc1 2286024594 WMDSENWASKRLHY-QGZVFWFLSA-N 451.888 2.421 30 10 JEEE Cc1nn(CCO)c(C)c1C=NNc1nc(SCC(=O)OCC=Cc2ccccc2)n[nH]1 2314007101 MYKAOFMTHTYRAL-UHFFFAOYSA-N 455.544 2.405 30 10 JEEE C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(F)c(F)cc1B1OC(C)(C)C(C)(C)O1 2351768691 ASXDUANAIXJIAD-ZBEGNZNMSA-N 456.295 2.477 30 10 JEEE COc1nc(N2C[C@H](NC(=O)OC(C)(C)C)[C@@H]3COC[C@@H]32)ccc1B1OC(C)(C)C(C)(C)O1 2365348478 QXKCHUVJHJZWLM-XIRDDKMYSA-N 461.368 2.118 30 10 JEEE COC(=O)N1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)c2C#N)C1 9446663 FLRFQBGZOOGWNN-UHFFFAOYSA-N 490.563 2.017 30 10 JEEE CCOC(=O)c1ccc(NC(=O)C[C@@H]2S/C(=N/N=C3\C(=O)Nc4ccc(C)cc43)NC2=O)cc1 38315966 ABZPHRQESNAHNQ-KRWDZBQOSA-N 479.518 2.444 30 10 JEEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1CCCN(C)c1ccccc1 558923502 DRAKVFNGXHFFPL-UHFFFAOYSA-N 460.603 2.464 30 10 JEEE CC(C)(C)OC(=O)N1CCN(c2ccc(NC(=O)CNC(=O)c3ccc(C#N)cc3)nc2)CC1 726984091 GZVZCMQAJVRVOK-UHFFFAOYSA-N 464.526 2.379 30 10 JEEE N#CCCN1CCN(C(=O)[C@@H](CC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)CC1 757239722 WCCIQQVMAOXUSA-HSZRJFAPSA-N 476.533 2.426 30 10 JEEE COC(=O)c1ccc(C=NNc2nc(SCC(=O)NCCc3ccc(OC)cc3)n[nH]2)cc1 1083978448 UFSGGZWGBQLJHP-UHFFFAOYSA-N 468.539 2.497 30 10 JEEE CC(=O)Nc1cccc(NC(=O)CSc2nnc(NN=Cc3ccccc3[N+](=O)[O-])n2N)c1 1084388591 LUTYBBPNYZPUKV-UHFFFAOYSA-N 469.487 2.035 30 10 JEEE C#CC[C@@H](NCC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1)c1ccccc1 1192790922 DAWYDCINIZRJJM-HXUWFJFHSA-N 457.552 2.009 30 10 JEEE CCOc1ccnc(N2CCCN(C(=O)Nc3ccc(S(=O)(=O)[C@H](C)C#N)cc3)CC2)n1 1216704922 HKGZSSBNAIBYSK-MRXNPFEDSA-N 458.544 2.305 30 10 JEEE C#CCCCn1c(N2CCN(c3nc(C)cc(OCC)n3)CC2)nnc1[C@]1(OCC)CCOC1 1286359707 HUCMPRBTNHWUMS-DEOSSOPVSA-N 469.590 2.167 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCCCCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1286391329 DTJBJMWPLDKXDE-LEWJYISDSA-N 463.648 2.065 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C)cc2F)n1 1286469287 HANMOOQCFGUTTC-UHFFFAOYSA-N 479.560 2.493 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2CCCNC(=O)C2CCC2)CC1 1286473664 VYOJCNKNHDNKGJ-UHFFFAOYSA-N 488.434 2.108 30 10 JEEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1286499097 DBDJJGOPJDVSNO-SFHVURJKSA-N 470.599 2.369 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1286550144 YQFPFWAGZQQBPU-ZWKOTPCHSA-N 498.550 2.390 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1286568181 XYFXCOJNFMWJGM-MDZRGWNJSA-N 481.644 2.120 30 10 JEEE C=C(C)COCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@H](CC(N)=O)C1 1286611514 LUFQNVMPEZRKHI-LJQANCHMSA-N 468.606 2.137 30 10 JEEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(=O)Cc2cccc(F)c2)CC1 1286619424 AKEMCEMFCNKYKC-MRXNPFEDSA-N 499.012 2.061 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(c2ccc(O)cc2)CC1 1286778856 BKDZIVLCJWKCTQ-UHFFFAOYSA-N 486.374 2.370 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1286789341 FAMPBHOEUKYVLX-UHFFFAOYSA-N 470.581 2.150 30 10 JEEE C=CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@@H](COC)C1 1286833171 WLQPUZITQXEFIO-LJQANCHMSA-N 459.620 2.223 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCN1CCCC1 1286968813 CLKWUOVKGSQDRX-QFIPXVFZSA-N 450.635 2.334 30 10 JEEE C[C@H](CC#N)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCN1CCC[C@H]1C(=O)N(C)C 1288513209 CMPCXXHZUATSKL-QUCCMNQESA-N 481.601 2.397 30 10 JEEE CC[C@H](C)[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1)OC 1291406858 CZQRJZRCQIZVCT-JWWGGVBKSA-N 490.630 2.399 30 10 JEEE CCOCc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CCS(=O)(=O)C(C)(C)C 1297297632 HEIYCHGQZYGRAT-UHFFFAOYSA-N 474.631 2.222 30 10 JEEE C#CCN(c1nnc(COCC)n1CC[C@H]1CCOc2ccccc21)[C@@H]1CCS(=O)(=O)C1 1300504888 VHSSENSXALIGBK-RBUKOAKNSA-N 458.584 2.398 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1([S@](C)=O)CC1 1300554597 GBDLQNKZZZYZRW-HKBQPEDESA-N 457.987 2.236 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCC[C@@H](O)C1 1300561978 WSDBCKNCCIUTFS-TZIWHRDSSA-N 469.611 2.209 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCC2CCC(OC)CC2)CC1 1300719668 LHCQJAFHKBZUJQ-UHFFFAOYSA-N 453.591 2.240 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OC)n2C[C@@H]2CCN(CC)C2)CC1 1300730584 BMMVJCPHNPLFOK-HXUWFJFHSA-N 480.613 2.173 30 10 JEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC(S(=O)(=O)c2ccccc2)CC1 1300731106 BUFBJJBJLXXBBR-UHFFFAOYSA-N 475.640 2.225 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)[C@@H](C)CC(N)=O 1300879110 ACSAVDABUJNLSI-HOIFWPIMSA-N 479.585 2.356 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)c1ccc(OC)c(OC)c1 1301296555 IUQFTIIWIGONRJ-FQEVSTJZSA-N 493.630 2.228 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](c2cccc(Cl)c2)C1 1301477744 DQFNQISQLOQXSJ-SFHVURJKSA-N 481.944 2.459 30 10 JEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 1301508430 LJGCNEZPRGYWNB-MRXNPFEDSA-N 475.619 2.430 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(S(C)(=O)=O)cc2)C1 1301568349 RUPHNHGHRMXQRE-ZVDOUQERSA-N 476.599 2.235 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(Cl)cc2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1301592865 FMDWVHXDDPVBNT-NRFANRHFSA-N 495.989 2.142 30 10 JEEE CC[C@@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1305626361 BUKPHBQROOEBDV-VQIMIIECSA-N 458.588 2.135 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2C[C@@H]2CCCCS2(=O)=O)c1 1358901663 SFCDULLJZFZQST-NRFANRHFSA-N 478.578 2.364 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccc(C)n3)n2C[C@]2(C)CN(C)C2=O)c1 1358902146 GDCSHLXNSHIYTA-VWLOTQADSA-N 457.538 2.183 30 10 JEEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(CCOC)[C@@H](C)C1 1358928951 OUYOAQQAKQXLMW-FQEVSTJZSA-N 452.607 2.022 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1C[C@H](C)O[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1358956107 AIJFOFLYMNCXAB-TXYHAXMKSA-N 494.658 2.149 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1cccc(C(F)(F)F)n1)[C@@H]1CCS(=O)(=O)C1 1358961219 UNOOAQTWHNLLNX-QGZVFWFLSA-N 476.484 2.429 30 10 JEEE C#CCN(CC#CC)c1nnc(CSc2ccccc2OC)n1C[C@H]1CCS(=O)(=O)C1 1358998480 GTUKKVSHQKRKAD-GOSISDBHSA-N 458.609 2.477 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccc3C)n2C[C@H]2COCCO2)n1 1359027735 URPXUVOBXFPKPL-NRFANRHFSA-N 450.543 2.152 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@](C)(O)c2ccccc2Cl)CC1 1359043705 FFOLZRVEJKGPOI-DEOSSOPVSA-N 481.988 2.206 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCN(C(=O)OCC)CC1 1359091617 PMINWBTVXHNHTC-FHWLQOOXSA-N 451.568 2.262 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccn2)nnc1N1CCC(C(=O)NCCOC)CC1 1359095625 PZYFMRZZELUEHW-CTNGQTDRSA-N 454.575 2.300 30 10 JEEE C=C(Cl)Cn1c(CC2CCCC2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1359154013 ASSZFORJEGJKGI-GOSISDBHSA-N 458.028 2.394 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](OC)C(C)(C)C)CC1 1359179449 VQPPIQUTWUXICW-MSOLQXFVSA-N 455.625 2.075 30 10 JEEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1359228739 MZSGODNSKJAJHD-KDURUIRLSA-N 474.606 2.296 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1359295985 SUKSQKYZWAEONU-OAHLLOKOSA-N 456.938 2.446 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1359309904 HCGPXSCFMIKTJE-QUCCMNQESA-N 452.559 2.147 30 10 JEEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(C)o1 1359342848 GGXGWFULGAAXMN-QGZVFWFLSA-N 455.606 2.068 30 10 JEEE CC(C)CC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1359889650 DEEYJQVQHYDMFR-HSZRJFAPSA-N 474.631 2.476 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H]2CC(=O)N([C@H]3C[C@@H]3c3ccccc3)C2)ccc1F 1361186594 XYJLCRKHUMEVCY-GGPKGHCWSA-N 457.527 2.177 30 10 JEEE C#C[C@@H](NC(=O)CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21)c1ccccc1 1461148689 OSWFAQBWJNAYFM-LJQANCHMSA-N 453.520 2.260 30 10 JEEE C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@H](Cc2ccccc2)CN2CCOCC2)cc1 1476412675 GCRCHTOIFRGILM-RXVVDRJESA-N 456.568 2.437 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1507529229 QQOZAEMXVJHMHN-IPMKNSEASA-N 473.647 2.195 30 10 JEEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1507552030 JKSASLWDNUMYGY-UHFFFAOYSA-N 454.497 2.213 30 10 JEEE C#CCN(C)c1nnc(COc2ccc(F)cc2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1507618307 JPVKGKUXBZQQFC-OALUTQOASA-N 455.513 2.412 30 10 JEEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CCC1(F)CCC1)[C@@H]1CCS(=O)(=O)C1 1507629172 ZWDWVEWPQOIHNY-XMSQKQJNSA-N 468.595 2.228 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ncnn1C(C)(C)C 1507681372 XADPMBQOXDPQSF-UHFFFAOYSA-N 470.603 2.050 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)c1ccc(F)cc1 1507689838 NETKRXFMBJTJKF-LJQANCHMSA-N 463.579 2.187 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CC[C@]2(CCOC2)O1 1507700702 UPWOYQHLSZFBFF-KPDCDPCYSA-N 491.589 2.005 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCN2CCCC[C@H]2CC)CC1 1507736465 PTZQQSVUCPFDAF-ATIYNZHBSA-N 486.661 2.161 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1507916866 VKYBUIXWEHHTNL-SFHVURJKSA-N 487.626 2.451 30 10 JEEE C=CCN(c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@]1(O)CCS(=O)(=O)C1)C1CC1 1507992670 DAWRZRRBIYTKGQ-UZUQRXQVSA-N 495.646 2.097 30 10 JEEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(N2CCCCC2=O)CC1 1508048748 XDJHXUDXMMQRPX-UHFFFAOYSA-N 472.615 2.363 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(CC)Cc1c(F)cccc1F 1508139708 DAIAYWCQEFUZRJ-KRWDZBQOSA-N 453.515 2.135 30 10 JEEE C=CCSCCn1c(Cc2csc(C)n2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1508165544 UTNXZKFFRWNFAS-SFHVURJKSA-N 475.644 2.320 30 10 JEEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCCCS(C)(=O)=O)[C@H](C)C1 1508258262 GHACSJDXGFPLIF-GOSISDBHSA-N 488.614 2.001 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1cccc(OCC(C)C)c1)[C@@H]1CCS(=O)(=O)C1 1539201083 VNUMFVINGJVHFU-HXUWFJFHSA-N 487.626 2.126 30 10 JEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1CC1=CCCOC1)[C@@H]1CCS(=O)(=O)C1 1539218610 BHZGJAKHUQLHHO-HXUWFJFHSA-N 460.987 2.496 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1CC[C@@H]1CCO[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1539225831 QHUFYWLOYVIGFW-POAQFYNOSA-N 477.656 2.466 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2ccsc2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1539285186 FRNHKHZYJOWFOT-UXHICEINSA-N 457.625 2.207 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccc(F)c(COC)c2)CC1 1539431017 QPEKKNVLGVUTEX-XMMPIXPASA-N 457.550 2.019 30 10 JEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 1539498893 YFEHUAYZSOWKOX-SJORKVTESA-N 482.701 2.199 30 10 JEEE C=C(Br)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCOCC1 1539606225 AAZKNWZCEHGJMI-UHFFFAOYSA-N 461.408 2.388 30 10 JEEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1539612079 IBFMQTNVEOHSQY-VYDXJSESSA-N 468.396 2.406 30 10 JEEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1539729451 PZPBNGUUQYWSGD-MJGOQNOKSA-N 464.588 2.181 30 10 JEEE C=C(C)COCCn1c(N2CCO[C@H]([C@@H]3CCCO3)C2)nnc1[C@]1(OC(C)C)CCOC1 1539760041 SDLXNYBSQJXROL-JTAQYXEDSA-N 450.580 2.296 30 10 JEEE C=CCCOCCn1c(-c2cn(C)c3ccccc23)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1540026296 CLIYAGSXIPMJFH-DYESRHJHSA-N 453.543 2.390 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1[C@@H]1C[C@H]1C 1540129171 SLWLXOVAMGLEPV-AHRSYUTCSA-N 456.572 2.256 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC(NC(C)=O)CC1 1540862955 MIPPUPMGDFQNAA-GOSISDBHSA-N 454.575 2.442 30 10 JEEE CC(C)(C)OC(=O)N1CC(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@H](S(C)(=O)=O)C2)C1 1541199756 HWFMPIVOQVCLMH-IBGZPJMESA-N 486.598 2.307 30 10 JEEE C=CCn1c(S)nc2cc(C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)ccc2c1=O 1556131976 AZYLHSQALBAJLY-RHSMWYFYSA-N 455.540 2.360 30 10 JEEE C=C(C)C[C@@H](CO)NC(=O)c1cccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c1 1558110855 RPAXMAVRBVRRHT-QFIPXVFZSA-N 457.596 2.250 30 10 JEEE C[C@H](O)C[C@@H](CNC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)c1ccccc1 1564307483 DVQQIPVDOXVIDI-RXVVDRJESA-N 456.568 2.129 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@H]3c3ccccc3)C2)s1 1566077085 STDOLFQIQKWAAG-NZSAHSFTSA-N 459.593 2.028 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(F)(F)C1(OC)CCOCC1 1587600500 ZDZFTYHZNOPOEF-INIZCTEOSA-N 472.500 2.210 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC[C@H](C(F)F)N1CCOCC1 1587631966 HFKIUQKMDFVLAX-UYAOXDASSA-N 488.587 2.266 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCCCN2CCC[C@H](C)C2)CC1 1588930336 SUJJFUMOVNAQDH-UNMCSNQZSA-N 456.635 2.260 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@](C)(O)c2ccccc2)CC1 1588930347 TYEPMHHBFUGINK-OFVILXPXSA-N 451.571 2.393 30 10 JEEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCC(CN2CCOCC2)CC1 1589109526 DMZXXFBNGCUFOH-UHFFFAOYSA-N 488.683 2.185 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](c2nc(C)cs2)C1 1593636166 IFZLEPFIBGQOPO-SJORKVTESA-N 466.633 2.336 30 10 JEEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1593636566 OASHEUGLINAXSG-VGSWGCGISA-N 481.619 2.178 30 10 JEEE C=C(Cl)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(CCOC)[C@H](CC)C1 1593833691 AYLRFRNTVJJXEL-LJQANCHMSA-N 497.065 2.495 30 10 JEEE C=C(Cl)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1593900522 MWIOMGXMWUXVJM-GOSISDBHSA-N 458.950 2.297 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(C)cc1N1CCOCC1 1595296394 DSCMHEQHSYHVAE-HXUWFJFHSA-N 454.575 2.061 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1595500844 GGXCGFHUCKRNPX-QHCPKHFHSA-N 465.646 2.414 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCOC2(CCOCC2)C1 1595576915 BZONHPPGJXYWAS-UHFFFAOYSA-N 455.559 2.162 30 10 JEEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1595838431 SIOHGCVADQYWTO-UHFFFAOYSA-N 489.690 2.004 30 10 JEEE CCS(=O)(=O)N(C)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCOC(C)(C)C1 1617352616 DRJHFGOUZGXQTG-UHFFFAOYSA-N 476.603 2.016 30 10 JEEE CO[C@H]1CCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(OCC(N)=O)CC1 1619490484 BWTWLFRLGOCQOP-NQIIRXRSSA-N 468.558 2.015 30 10 JEEE C[C@H](CC(=O)N1CC[C@@](CO)(Cc2ccc(F)cc2)C1)/N=C1/NS(=O)(=O)c2ccccc21 1636925230 BSSPUNXFBCPHKY-WAIKUNEKSA-N 459.543 2.097 30 10 JEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)c1 1639953490 ARBRZXLZBVHIHP-NRFANRHFSA-N 456.955 2.274 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](N2CCN(S(=O)(=O)Cc3cc(C#N)ccc3F)CC2)C1 1655554161 FRXNFBXCAJIWEL-SFHVURJKSA-N 452.552 2.154 30 10 JEEE Cc1nn(C)c(N2CCN(S(=O)(=O)Cc3cc(F)ccc3Br)CC2)c1C#N 1661433650 DPYZARBSJOYZTR-UHFFFAOYSA-N 456.341 2.154 30 10 JEEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@H](NC(=O)CC)C1 1689878449 INXNLGRWSOZEDL-FQEVSTJZSA-N 486.642 2.494 30 10 JEEE C#CCCCn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1689938793 WMMFEGZCJUCICE-IBGZPJMESA-N 462.558 2.419 30 10 JEEE C#CCN(c1nnc(C)n1Cc1cc(Br)ccc1OC)[C@@H]1CCS(=O)(=O)C1 1689979457 BNVCPDIGSVFCDW-MRXNPFEDSA-N 453.362 2.033 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCc1scnc1C)[C@H]1CCS(=O)(=O)C1 1689987949 GIMYMERCFHKUDD-KRWDZBQOSA-N 456.597 2.283 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCn1ccnc1C 1690090882 BAHZKOXCUKVKML-LJQANCHMSA-N 456.547 2.164 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1CCOc1ncccc1F 1690103644 FPZIUUCPZBMLRH-FQEVSTJZSA-N 453.474 2.490 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCSCC(F)(F)F)CC1 1690113949 YPNHGLRESNJRIY-IBGZPJMESA-N 461.554 2.369 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCOc2ccccc2C(C)C)CC1 1690124161 GSYAXXKPFAJQSC-HXUWFJFHSA-N 471.627 2.138 30 10 JEEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1690179066 KZYVCDZIKNQXRA-UHFFFAOYSA-N 496.662 2.282 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)c1ccc(F)cc1 1690265326 MRSCZHGMJPMGEJ-DENIHFKCSA-N 481.594 2.060 30 10 JEEE C=CCOc1ccc(Cn2c(C)nnc2N2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)cc1 1690679159 MHBFTNKATKMFJV-UHFFFAOYSA-N 466.586 2.140 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1690725525 SWQIGSDZLNQJFW-TZIWHRDSSA-N 460.600 2.484 30 10 JEEE CC(=O)N(C)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCCN2CCOCC2)CC1 1690778989 QLXPAFISGRIXHP-UHFFFAOYSA-N 495.628 2.288 30 10 JEEE CN(C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)CCCO2)CC1)S(C)(=O)=O 1696649577 ABCOTHFFTNPPIV-JOCHJYFZSA-N 458.588 2.246 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCN1CCC[C@H](C)C1 1705482254 VYAGRPZTQOUVQT-OALUTQOASA-N 458.632 2.385 30 10 JEEE C#CCCCn1c(COc2ccccc2OC)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1705537487 HLACAVFBSJYGDL-UHFFFAOYSA-N 461.588 2.139 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1cccc(OCC(C)C)c1)[C@@H]1CCS(=O)(=O)C1 1705567025 SMAAVTVJLHEUTF-LEWJYISDSA-N 472.611 2.492 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CCC1(OC)CCC1)[C@@H]1CCS(=O)(=O)C1 1705569045 YOUVYVBTIBOFDH-HXUWFJFHSA-N 483.594 2.315 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2CCCN2CCCCC2=O)CC1 1705634077 IUIHCTFQEYBMMI-UHFFFAOYSA-N 488.434 2.204 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(Oc2ncccc2F)CC1 1705661405 AQBFYRJSKHNBCW-MRXNPFEDSA-N 479.603 2.129 30 10 JEEE C=CCC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1705794569 MMQWWTDCCXMSLJ-UHFFFAOYSA-N 470.622 2.316 30 10 JEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1Cc1ccc(C)n(C)c1=O)[C@H]1CCS(=O)(=O)C1 1722358529 CQAOLVTWABYYGR-FQEVSTJZSA-N 485.997 2.281 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1CCOCC(F)(F)C(F)F)[C@H]1CCS(=O)(=O)C1 1722358902 NKGVHRNKBFOUCV-ZDUSSCGKSA-N 454.490 2.119 30 10 JEEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(S(C)(=O)=O)cc1 1722390459 CWKBNYDAUJRGGG-DEOSSOPVSA-N 470.595 2.233 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCn2ccnc21 1722417378 FROGXFYGEFMBNW-HKUYNNGSSA-N 485.589 2.441 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@](C)(O)c2ccco2)CC1 1722432673 CDAKSQIIFCNXFS-FQEVSTJZSA-N 459.348 2.292 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C2CC2)nnc1N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 1722506485 MQVXVPSDIJUFGB-ZCNNSNEGSA-N 467.636 2.014 30 10 JEEE C=C(C)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCN(CC(=O)NC(C)C)CC1 1722522909 LHEMUJDIKOHMNU-UHFFFAOYSA-N 492.628 2.288 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCSCC2)cc1 1722680808 AJGJQLTTZZTLIE-HXUWFJFHSA-N 491.683 2.421 30 10 JEEE C=CCn1c(COc2ccc(Br)cc2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1722688079 JDBYRKQCXJGMOF-UHFFFAOYSA-N 477.407 2.452 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1722699108 BPUVPEJDMAJKAO-FQEVSTJZSA-N 486.020 2.407 30 10 JEEE CC(=O)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)CN(C)C)CC1 1722774484 AOFRCAZTFOFQBP-UHFFFAOYSA-N 453.591 2.375 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC1Cc2ccccc2C1 1723778164 DTZZQCGKUQGSJZ-LAUBAEHRSA-N 472.615 2.154 30 10 JEEE Cc1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(CCC(N)=O)CC2)n(C)n1 1725868805 IBQSQUQUZIIDRI-UHFFFAOYSA-N 462.558 2.301 30 10 JEEE CC[C@H](C)NC(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(C#N)CC1 1727099457 HLESNXDYYZCUQS-SFHVURJKSA-N 465.606 2.497 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCCN(C)CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1740618315 GPPBZLGCIWOKRR-LJQANCHMSA-N 494.543 2.328 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1Cc1cccn(CC)c1=O)[C@@H]1CCS(=O)(=O)C1 1740618759 BJLFUAZLSQGMII-HXUWFJFHSA-N 465.579 2.110 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC(C)(C)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 1740626431 XLPGXDCWKKWUJN-NRFANRHFSA-N 487.674 2.031 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@]2(OCC)CCOC2)n1Cc1nncn1CC 1740677072 DRGOCJFRNXYKPZ-QHCPKHFHSA-N 453.522 2.369 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCOC3)n2Cc2c(C)noc2C)n1 1740688634 HMTPDNWQKJGFMU-IBGZPJMESA-N 453.547 2.308 30 10 JEEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2CCS(C)(=O)=O)CC1 1740699360 CSBMJSRMMPXQSZ-UHFFFAOYSA-N 459.616 2.089 30 10 JEEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1740711361 LZAFSXIPJWFLOD-HLAWJBBLSA-N 489.667 2.423 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)=C(Br)C1 1740810187 AGCWUTVREPJWSZ-AWEZNQCLSA-N 480.816 2.243 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCOc2ccccc2C)CC1 1740839424 JIFDPTXPRKYFMP-OAQYLSRUSA-N 475.615 2.401 30 10 JEEE C=CCCCn1c(C(C)C)nnc1N1C[C@@H]2[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1740868172 FYMXTBAAEBTNGK-IXDOHACOSA-N 453.609 2.494 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CC[C@](O)(c2ccccc2F)C1 1740989722 VZTVSGNXKYBMFV-JOCHJYFZSA-N 457.531 2.178 30 10 JEEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1CC(F)(F)C1 1741002445 IFLOMHVKDUCKTP-HNNXBMFYSA-N 465.592 2.012 30 10 JEEE C=CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1741005861 UFPOJJHTEYDZGM-GOSISDBHSA-N 453.572 2.204 30 10 JEEE CC(C)(C)C(=O)NCCn1c(-c2cccnc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1741150660 DGJFTHSDESRIAH-UHFFFAOYSA-N 459.558 2.096 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1[C@H]1CCC[C@H](C(F)(F)F)C1 1748671180 GRGBQLZSFIZXKD-VGWMRTNUSA-N 463.526 2.363 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccncc1Cl)[C@@H]1CCS(=O)(=O)C1 1748804452 IAGROGQNZKVXHR-GCJKJVERSA-N 494.017 2.042 30 10 JEEE C#CCN(c1nnc(COc2ccccc2CC)n1CC[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1748824237 LZLGAOZDUZLUMO-FPOVZHCZSA-N 472.611 2.473 30 10 JEEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(C)(C)C(=O)NCC 1748889812 GTDOJWAFTXHICS-UHFFFAOYSA-N 462.602 2.077 30 10 JEEE C#CCN(CC#CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H]1COCCO1 1748889863 IFLZGKCCJXQJCS-HXUWFJFHSA-N 457.575 2.271 30 10 JEEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1ccc(I)cc1 1748969372 SPQZNEHYEXJWQY-UHFFFAOYSA-N 493.349 2.139 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCN(CC)CCC(F)(F)F)CC1 1749014462 KNPRWOUTXQVMDR-GOSISDBHSA-N 470.540 2.022 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](Oc2ccccn2)C1 1749368589 MSWPFPZSKMGWAN-RTBURBONSA-N 490.630 2.266 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1cccc(C)c1)N1CCOCC1 1749488941 PGWWREKYAQPGTG-RTWAWAEBSA-N 459.616 2.184 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCN(c2ccnc(C)n2)CC1 1749664682 WQTQERHJRGGHKJ-UHFFFAOYSA-N 452.950 2.326 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1749679764 AOEQHHWKLYKRFK-FQEVSTJZSA-N 470.643 2.340 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCCN(C(C)=O)C2)C1 1749717540 MECLCTVAQLMKDN-OALUTQOASA-N 472.615 2.309 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCCN(C(C)=O)C2)C1 1749717542 MECLCTVAQLMKDN-RBUKOAKNSA-N 472.615 2.309 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)c2ccc(C)cc2)CC1 1749730640 LWECOCHLFOBSSY-UHFFFAOYSA-N 468.583 2.145 30 10 JEEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCS(C)(=O)=O)C[C@@H]1NC(=O)OC(C)(C)C 1752311690 DDFQDLLIFXQQKE-QAPCUYQASA-N 474.587 2.211 30 10 JEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCN1CCCO[C@@H](C)C1 1760196422 NDDMJVKADCLJQL-FQEVSTJZSA-N 497.669 2.120 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC[S@@](=O)CC)CC1 1760271189 OWZPQBSJDXSEAM-YTTGMZPUSA-N 478.018 2.245 30 10 JEEE C#CCSCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(C)C(=O)[C@@H]1C 1760281241 PGIBOZJAZMIWQQ-ZWKOTPCHSA-N 476.647 2.426 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCN(CCOC)[C@H](C)C2)nnc1[C@]1(OCC)CCOC1 1760327451 HFLRSSQPRKXLRG-YOEKFXIASA-N 463.623 2.068 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C)C(=O)C1 1760413779 UFJPVQKNVBXHPH-KRWDZBQOSA-N 462.595 2.467 30 10 JEEE C=CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1760423338 WNQKJKVKDYSTSQ-GOSISDBHSA-N 452.602 2.328 30 10 JEEE C=CCN(CC=C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCN1CCOC[C@H]1C 1760495820 XUIWKNBSNKQCCK-HXUWFJFHSA-N 452.607 2.351 30 10 JEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H]1CCCO[C@H]1c1ccccc1 1760510197 KOPUIWIQFBXYDT-ACRUOGEOSA-N 475.615 2.401 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CCOc3ccccc32)C1 1760534882 IIAZRLNLBZRGOE-KZNAEPCWSA-N 461.588 2.236 30 10 JEEE CCCOc1ncccc1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1764633602 HRKMGQFYUOHMPB-UHFFFAOYSA-N 482.566 2.196 30 10 JEEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H]2CCC[C@H](O)C2)c1 1766940541 AYJUIXAGUJQUBP-ZJBJCVSYSA-N 476.578 2.188 30 10 JEEE COc1ccc(C(C)(C)Cn2c(-c3cnn(C)c3)nnc2N2CCO[C@@H](C#N)C2)cc1OC 1768421897 CGBVKLGESLAOCP-SFHVURJKSA-N 451.531 2.402 30 10 JEEE COCCN(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1771076428 DEZLYMXQGXGHRS-UHFFFAOYSA-N 485.596 2.378 30 10 JEEE C[C@@](C#N)(NS(=O)(=O)CCN1C(=O)c2ccccc2C1=O)c1ccc(Br)cc1 1858041879 HWKWIPBJSJEETM-IBGZPJMESA-N 462.325 2.403 30 10 JEEE CC(C)C[C@@H](C(=O)N[C@@H]1CCN(S(=O)(=O)c2ccccc2C#N)C1)N1C(=O)c2ccccc2C1=O 1858334194 DPJWQYTUCYUCLB-NQIIRXRSSA-N 494.573 2.148 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)[C@H](C)Oc3cccnc3NC(=O)NCCC(=O)O)cc21 1858806426 ALCBBHZJUSOQRW-AWEZNQCLSA-N 468.466 2.239 30 10 JEEE C=CCOc1ccccc1[C@H]1C(C(=O)N(CCOC)CCOC)=C(N)Oc2c1c(C)nn2C 1865227355 IALJSPLUYKHAAV-HXUWFJFHSA-N 456.543 2.109 30 10 JEEE CC(C)[C@@H](NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(=O)N1CCN(c2ncccn2)CC1 1868782565 KIMCQOBBAPIQFD-IFMALSPDSA-N 495.653 2.304 30 10 JEEE O=C(NC[C@H]1CCCO1)[C@H](CSCc1ccccc1)N=C1NS(=O)(=O)c2ccccc21 1869931842 JIYMYTFWAYVZOH-MJGOQNOKSA-N 459.593 2.322 30 10 JEEE C=CCOc1ccccc1OCC(=O)Nc1nc(N(CC)CC)nn1[C@H]1CCS(=O)(=O)C1 1870057809 BPKBESQOIJNDMT-INIZCTEOSA-N 463.560 2.066 30 10 JEEE C=CCn1c(C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc2c(N(C)CCCC)ncnc21 1873593610 SDUVSUXLJAFNKU-UHFFFAOYSA-N 456.572 2.431 30 10 JEEE C=CCn1c(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc2c(NC[C@H](C)O)ncnc21 1875228776 DKPAFZDHEMHRKF-KRWDZBQOSA-N 478.553 2.097 30 10 JEEE Cc1nc(I)c(I)n1-c1ccc(N)c(C#N)n1 1941546654 UJAMISBGIITJMV-UHFFFAOYSA-N 451.009 2.239 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@H](C(=O)NCCc2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2180963161 XAPIBGRTXZCLGP-IBGZPJMESA-N 460.380 2.280 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@](O)(CC(=O)NCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2185172151 LLSYMIXSJNWCGE-XMMPIXPASA-N 460.380 2.364 30 10 JEEE C[C@@H](CNC(=O)OC(C)(C)C)NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2247903109 DULKFMIRYNIKBS-ZDUSSCGKSA-N 460.427 2.380 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NC[C@@]2(O)CCCN(C(=O)OC(C)(C)C)C2)C1 2255204390 YUENWSSPBPNZAZ-HESYMAFGSA-N 451.564 2.171 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@](O)(CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2255702953 NEWWVMNSRAJYKJ-OAQYLSRUSA-N 452.382 2.149 30 10 JEEE Cc1cc(S(=O)(=O)NCCCONC(=O)OC(C)(C)C)sc1B1OC(C)(C)C(C)(C)O1 2255930841 BCJGKOCOWBSUKU-UHFFFAOYSA-N 476.426 2.480 30 10 JEEE CC(C)(C)OC(=O)NC/C=C\CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2268402760 DCUIFKYDJAFWEE-HJWRWDBZSA-N 470.372 2.484 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H]1C(=O)Nc1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)n1 2268633552 CXVUTDUXOHUTBB-GXTWGEPZSA-N 467.759 2.343 30 10 JEEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@@H](C(=O)N=c1nc(B3OC(C)(C)C(C)(C)O3)[nH]s1)C2 2268640987 KREIFPCVJADBJH-ZSOGYDGISA-N 464.397 2.376 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)Nc1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2268655196 IXNJFJDBVTXAIN-PBHICJAKSA-N 450.316 2.434 30 10 JEEE CC[C@H]1CN(C(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)CC[C@@H]1NC(=O)OC(C)(C)C 2281821831 GSUZHLVBMLDOMD-RDJZCZTQSA-N 462.400 2.485 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC(C2(NC(=O)OC(C)(C)C)CC2)C1 2281965812 LUSNYOBFEQHWIS-UHFFFAOYSA-N 460.384 2.332 30 10 JEEE Cn1cc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC(C)(C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2281971234 IQTBBICQXWAPLX-HNNXBMFYSA-N 462.400 2.485 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2C[C@H]2[C@@H]1CNC(=O)OC(C)(C)C 2281971988 YRFHPSCHFPZLTC-UXLLHSPISA-N 460.384 2.187 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2CN(Cc3ccccc3)C[C@H]2C1 2282021673 OIQRJJVJPARDQM-PMACEKPBSA-N 450.392 2.406 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C2(CC2)C1 2282031193 OYVDTGRQWVQLPR-MRXNPFEDSA-N 458.368 2.438 30 10 JEEE CCn1cc(C(=O)N2C[C@@H]3CC[C@H](C2)N3C(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2282037813 AFHXHFQQODADEK-IYBDPMFKSA-N 460.384 2.426 30 10 JEEE CCn1cc(C(=O)N[C@]23CC[C@@H]2CN(C(=O)OC(C)(C)C)C3)nc1B1OC(C)(C)C(C)(C)O1 2282540592 LNPVDFMTIBWSQJ-CMJOXMDJSA-N 460.384 2.332 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC2(F)CCN(C(=O)OC(C)(C)C)CC2)n1 2282541041 SAZOFZYCGNTQPB-UHFFFAOYSA-N 466.363 2.188 30 10 JEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1nc(C)ccc1B1OC(C)(C)C(C)(C)O1 2282554960 LTXIKYNJKWPLSK-DLBZAZTESA-N 461.368 2.053 30 10 JEEE C[C@H]1CN(S(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C[C@H](C)N1C(=O)OC(C)(C)C 2282829268 CEIKPPQNRQYPDD-HOTGVXAUSA-N 481.424 2.399 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H](CO)C(=O)N1CCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C1 2284047092 GFGFEWPMANMEBW-SFHVURJKSA-N 460.380 2.004 30 10 JEEE CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)C(=C(C)N[C@@H](C(N)=O)c3ccc(O)cc3)C(=O)[C@@]12C 2297591470 RQBJJQZRPQMHHB-IBVKSMDESA-N 492.484 2.090 30 10 JEEE COc1cc(C=NNc2cnn([C@@H]3CCS(=O)(=O)C3)c(=O)c2Br)cc(Cl)c1O 2322660044 YZDUBADVYMPMPT-SNVBAGLBSA-N 491.751 2.179 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1[C@H]2C[C@@H](CN(C(=O)[C@@H]3C[C@H]3B3OC(C)(C)C(C)(C)O3)C2)[C@H]1CO 2334263860 PNSBXJIUVZODAZ-MNWMBMHPSA-N 450.385 2.449 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)[C@H]3CCN2C3)C1 2342752924 ZJPDNVAZQLHARU-LDMCVSKHSA-N 462.591 2.103 30 10 JEEE Cc1c(C(=O)NC[C@H]2[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2359278327 KXORXYATRGTQQB-XHSDSOJGSA-N 460.384 2.013 30 10 JEEE C[C@H]1CC[C@@H](CNC(=O)OC(C)(C)C)N(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)C1 2362353141 VICIACBNCIFDSU-HOTGVXAUSA-N 462.400 2.485 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H]2OCCN(C(=O)c3cnsc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2362499421 TVLAKQDPKHWNCI-JKSUJKDBSA-N 479.408 2.293 30 10 JEEE COc1ccc(C(=O)CSc2nnc(N/N=C/c3ccc([N+](=O)[O-])cc3)n2N)cc1OC 20292003 ZXDNWULBFOFXPB-UFFVCSGVSA-N 457.472 2.338 30 10 JEEE CCOc1cc(/C=N/Nc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2N)ccc1O 21326633 OVSNRGSTTCYTHS-UFFVCSGVSA-N 472.487 2.181 30 10 JEEE COc1ccc(Cl)cc1NC(=O)CSc1n[nH]c(N/N=C/c2c(C)nn(CCO)c2C)n1 59887771 LXWMTWLYOQILQH-ZVBGSRNCSA-N 478.966 2.449 30 10 JEEE CCN1CCN(C(=O)/C(C#N)=c2/s/c(=C\c3cccc(Cl)c3)c(=O)n2-c2ccc(F)cc2)CC1 97993605 BPTCPRQORCHWCR-YCYAQFAISA-N 496.995 2.359 30 10 JEEE CC(C)OC(=O)[C@]1(C#N)[C@H](c2ccc(Cl)c(Cl)c2)[C@H](C(N)=O)N2C=C(C(N)=O)C=C[C@@H]21 229769190 LKPPYVBORKCVFD-LHUKNYEISA-N 463.321 2.016 30 10 JEEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(OCc3cc(C)no3)c(Br)c2)CC1 520040470 DQQVVIFJYDJXIW-UHFFFAOYSA-N 477.359 2.385 30 10 JEEE CCOc1ccc(/C=C/C(=O)[C@@H]2CNCC[C@@H]2NC(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)cc1 585831553 VINNHEZUQXLIFA-MZHZZGAFSA-N 475.545 2.447 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)Nc3cc(S(=O)(=O)N(CC)CC)ccc3O)cc2C1=O 684951156 ZXWWUBOJCKYYEY-UHFFFAOYSA-N 457.508 2.457 30 10 JEEE CCN1C(=O)[C@H](CC(=O)Nc2ccccc2OC)S/C1=N\Cc1ccc(S(N)(=O)=O)cc1 726402318 FFIAOBOIJSJPLM-NKWDDMGQSA-N 476.580 2.191 30 10 JEEE C#CCN(C(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)[C@H]1CCS(=O)(=O)C1 729332320 XNTXNACFELGSQJ-INIZCTEOSA-N 473.473 2.479 30 10 JEEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccc2c(c1)S(=O)(=O)N(CCOC)C2=O 745058325 CUVGZVFRELXLHF-UHFFFAOYSA-N 459.480 2.214 30 10 JEEE C=C(Br)COC(=O)CS(=O)(=O)CC(=O)Nc1cccc(Br)c1 919207617 ONFBWYZXAGFKPB-UHFFFAOYSA-N 455.124 2.254 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCCO3)n2CC(=O)NCC(F)(F)F)c1 1286312448 XYCBQZULLSOQMW-KRWDZBQOSA-N 478.475 2.254 30 10 JEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](O)(Cc2cccc(Cl)c2)C1 1286340902 AFPADHBMHNXIGB-HRAATJIYSA-N 466.007 2.139 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1CCCN(C)c1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1286396834 WQDJPJKYHZYOPI-RBUKOAKNSA-N 475.590 2.074 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(C)n2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1286439614 TXSVWGUYESFGHD-IFMALSPDSA-N 466.611 2.316 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2C[C@H](C(C)C)N2CCOCC2)CC1 1286478661 IQKOQJHZIUIPEW-XMMPIXPASA-N 450.631 2.289 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H]2CCC[C@@H]2OC)CC1 1286493193 FHHNBANJCAAVQD-ICSRJNTNSA-N 456.616 2.415 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1286549660 YINHBLSWYNBFII-XAPVIXHLSA-N 483.617 2.452 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2c[nH]c3ccccc23)nnc1N(C)CCNS(C)(=O)=O 1286561234 MKLNDBXPXYDBFM-JXFKEZNVSA-N 458.588 2.393 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC[C@@H](O)C1 1286746384 WRQHWTDQGZOXFO-BDTNDASRSA-N 489.642 2.355 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)c1ccc(F)cc1 1286966643 AOSRTCFUVSCXGL-GPMSIDNRSA-N 464.567 2.150 30 10 JEEE C[C@H](CC#N)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCN1CCOCC1(C)C 1288517643 DZPZHINPJUCWNE-MRXNPFEDSA-N 450.547 2.443 30 10 JEEE C=CCn1c(SCC(=O)N2CCC[C@H](S(N)(=O)=O)C2)nnc1-c1ccc(Cl)cc1 1295134684 VJBSJEZQVYECSU-HNNXBMFYSA-N 455.993 2.156 30 10 JEEE COc1ccc(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)c(OC)c1OC 1300150386 HNPBJOJROMLQSY-GOSISDBHSA-N 489.598 2.189 30 10 JEEE C#CCN(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CCS(=O)(=O)N1CCSCC1 1300446705 QJAQWTSNLNPSNE-UHFFFAOYSA-N 493.655 2.189 30 10 JEEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1CCc1ccncc1)[C@@H]1CCS(=O)(=O)C1 1300503943 HHGPAOVKVKOBSK-HXUWFJFHSA-N 481.578 2.130 30 10 JEEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC1(O)CCOCC1 1300534966 GGTCQQAIKNAJSR-UHFFFAOYSA-N 457.575 2.007 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCCC(F)(F)C2)CC1 1300726797 RHBMDZXMTJNNGI-IEBWSBKVSA-N 497.612 2.362 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H](CC)N2CCCC2)CC1 1300729032 LSTHHUDEJDZLSB-OAQYLSRUSA-N 469.659 2.474 30 10 JEEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)c1ccc(OC)cc1 1300763438 PKNGUASIYBRGQJ-XLIONFOSSA-N 493.655 2.183 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@]1(O)CCO[C@H]1C 1300904635 DERPBODJBBXABM-HTAPYJJXSA-N 463.604 2.138 30 10 JEEE C=CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](OC)[C@H](OC)C1 1301223246 PRDPUGCHRBTHLD-OKZBNKHCSA-N 451.568 2.403 30 10 JEEE C=CCCOCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN2C(=O)NC[C@H]2C1 1301252145 KTNYOFVBGHFXNK-MOPGFXCFSA-N 489.621 2.199 30 10 JEEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1301502848 QLACVRLISAZNRO-NXHTTZLHSA-N 461.513 2.222 30 10 JEEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCCC2(C)C)C1 1314001151 DTMVACJBBMKZKL-XXBNENTESA-N 472.615 2.276 30 10 JEEE COc1ccc(Br)c(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCn2cncn2)c1 1315361424 ANHJXJOKAAXRHA-GOSISDBHSA-N 461.299 2.450 30 10 JEEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1358915656 LKTVHIPHLWQCSH-UHFFFAOYSA-N 479.589 2.000 30 10 JEEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@H](c1ccccc1)N1CCOCC1 1358952393 JQAYVRFBKCJLHL-HXUWFJFHSA-N 464.595 2.413 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1Cc1nc(C2CC2)cs1)[C@H]1CCS(=O)(=O)C1 1358954978 BQIKLGHWCMUOJV-KRWDZBQOSA-N 490.655 2.205 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1CC(F)(F)CNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1358955934 XCZBEISQFZYXAP-HNNXBMFYSA-N 489.589 2.362 30 10 JEEE C#CCN(c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC(C)(C)OC)[C@@H]1CCS(=O)(=O)C1 1358957346 SVCBCDJIOGKWTH-GOSISDBHSA-N 468.583 2.387 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H](C)Oc1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 1358960634 IRZGQBDHXFKURU-AEFFLSMTSA-N 486.985 2.483 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1CCOc1ncccc1Cl)[C@@H]1CCS(=O)(=O)C1 1358964203 VKYNTBQVGHJXLS-MRXNPFEDSA-N 451.980 2.231 30 10 JEEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1C[C@@H](C)COC)[C@H]1CCS(=O)(=O)C1 1358965990 GDPKWWHOPKKHJU-QUCCMNQESA-N 460.600 2.383 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1Cc1cc(Cl)c2c(c1)OCCO2 1359018297 LDMCCMVHHRCALW-UHFFFAOYSA-N 482.928 2.484 30 10 JEEE C#CCN1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CC(CC)(CC)OC)CC1 1359034555 VMEHVFDQWXTJBA-UHFFFAOYSA-N 463.586 2.152 30 10 JEEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1359056208 AMMCCXPNPMBLMB-HJNYFJLDSA-N 474.675 2.265 30 10 JEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@](O)(c2ccccc2)C(F)(F)F)CC1 1359159232 QRZSCUIBXQBZNB-BEFAXECRSA-N 473.521 2.495 30 10 JEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCCN(Cc2ccccc2)CC1 1359304072 KOKHVNDQVHOTGS-UHFFFAOYSA-N 462.602 2.154 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1359307079 ZSOPOIVRIJDTEI-IEBWSBKVSA-N 460.623 2.194 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CCN1CCc2ccccc2C1 1360677892 HSHKGWIGFHNIPB-SFHVURJKSA-N 471.631 2.077 30 10 JEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1(C)C 1443988802 GXEWNQSEZCCEHG-OAHLLOKOSA-N 450.561 2.083 30 10 JEEE C=CCn1cc(CNC(=O)N2CCOc3c(Br)cc(C(=O)OC)cc3C2)nn1 1470584933 XRLYIPUMYZIBGH-UHFFFAOYSA-N 450.293 2.117 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(Br)cc2)n1CCN/C(O)=C1/N=CC=CC1=O 1507706389 LPINLEDEIGDLGG-VZCXRCSSSA-N 499.369 2.320 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCCO[C@@H]1C(C)C 1507708116 HTXUHQQAEWMUFZ-IFMALSPDSA-N 464.574 2.458 30 10 JEEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1507789339 BJRPTYPSJJONFJ-UHFFFAOYSA-N 478.395 2.236 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N(C)CC(C)(C)CN1CCOCC1 1507801902 YWGCBZMWCLPSFP-FPOVZHCZSA-N 457.623 2.454 30 10 JEEE C=CC1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CCCNS(=O)(=O)CC)CC1 1507906103 GZHQCYWCUDQVKA-UHFFFAOYSA-N 499.641 2.407 30 10 JEEE C=CCN(CC=C)c1nnc(-c2cccc(Br)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1508015328 ROOBILQLBKSOEL-LJQANCHMSA-N 467.389 2.436 30 10 JEEE C=CCSCCn1c(Cc2csc(C)n2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1508165541 UTNXZKFFRWNFAS-GOSISDBHSA-N 475.644 2.320 30 10 JEEE CC(C)CCN(CCC#N)c1nnc([C@@H]2CCCCO2)n1CC1(O)CCS(=O)(=O)CC1 1509301872 DMQYVYOFSFCATM-SFHVURJKSA-N 453.609 2.226 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@](C)(O)c1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 1539215622 HEJSOXLMXYNMRD-AOMKIAJQSA-N 473.986 2.461 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1ccnc(C(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 1539215907 LITRCHXWXLSFKL-QGZVFWFLSA-N 476.484 2.429 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2occc2C)CC1 1539452399 RWJTXDYBLOLLEL-IBGZPJMESA-N 470.574 2.291 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CC2(C)COC2)CC1 1539474586 VABLOVHFSMAFJF-UHFFFAOYSA-N 467.570 2.355 30 10 JEEE C=C(Br)Cn1c(N2CC[C@@]3(CCC(=O)N3)C2)nnc1[C@]1(OC(C)C)CCOC1 1539608674 CGTAQCBGIKAWCX-OALUTQOASA-N 454.369 2.086 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2OC)nnc1N1CCN(CCOC)C(=O)C1 1539626966 HPGVWIKBTJWMGQ-AVRDEDQJSA-N 455.559 2.230 30 10 JEEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1CCc2ccccc21 1540037103 BGPOOACKZSUBKX-LEWJYISDSA-N 475.615 2.327 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCN(c2nc(C)cs2)CC1 1540872378 MWMANRPIEKZDMW-UHFFFAOYSA-N 467.599 2.271 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@H](C)O[C@@H](C)C1 1540898440 KKCOHWVDHRONPR-HOTGVXAUSA-N 480.587 2.185 30 10 JEEE CC[C@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@H](C)N1CCN(CC)CC1 1545545986 HZVPBCQSQQDWEF-ACRUOGEOSA-N 480.665 2.194 30 10 JEEE CCc1noc([C@H](C)N2CCN(c3nnc(-c4ccc(C#N)cc4)n3CC(C)(C)O)CC2)n1 1546562331 BYAPINFQNZVGLZ-INIZCTEOSA-N 450.547 2.416 30 10 JEEE CNC(=O)[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CC12CCN(C(=O)c1cnccn1)CC2 1548377541 OUSQCUMHELAONA-SFHVURJKSA-N 472.471 2.472 30 10 JEEE C#CCN(C)c1nnc(-c2ccc(F)cc2Br)n1C[C@H]1CCN(S(C)(=O)=O)C1 1587945474 KROSJNZYTYJEMU-ZDUSSCGKSA-N 470.368 2.198 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H](c1ccccc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1588050398 SCHWDRRGCRVHGT-FPOVZHCZSA-N 452.584 2.203 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@H](c1cccs1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1588065402 YEIUDVIPBCUBSL-WOJBJXKFSA-N 484.651 2.255 30 10 JEEE C#CCN(c1nnc(CCCc2ccccc2)n1Cc1cnn(CC)c1)[C@@H]1CCS(=O)(=O)C1 1588069605 REGGWMISONMDGD-JOCHJYFZSA-N 466.611 2.345 30 10 JEEE C#CCN(c1nnc(COCC)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1588075109 XWXOIYFWFJZZNS-BJLQDIEVSA-N 452.621 2.283 30 10 JEEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 1588673742 YREGMEWMZZRCQB-UHFFFAOYSA-N 472.590 2.054 30 10 JEEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1589070529 URBDLFKDJJOKLT-VQTJNVASSA-N 474.675 2.108 30 10 JEEE C=C(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCC#N)CC1CC1)c1ccccc1 1593789005 GLAARWFGQBKMHO-NRFANRHFSA-N 470.599 2.454 30 10 JEEE C=C(Cl)Cn1c(-c2ccc(Br)s2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1593833950 HHLYDJIMVFCRIV-UHFFFAOYSA-N 499.822 2.449 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)Oc2ccccc2OC)CC1 1594097186 NEASDIFVIDXMJC-GHTZIAJQSA-N 491.614 2.244 30 10 JEEE C=CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC(=O)N(C)[C@H](C)C1 1594582036 LHFXYXOQTDHEOQ-QGZVFWFLSA-N 460.604 2.219 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(=O)Nc2ccccn2)n1C[C@]1(O)CCN(C)C1 1595070897 QLRJQORRFBUYOL-VWLOTQADSA-N 477.569 2.193 30 10 JEEE C=CCNC(=O)Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCN(C(=O)OC)CC1 1595569626 KXYDRNKCEZKFRK-UHFFFAOYSA-N 490.992 2.442 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H](C(=O)NC)C1 1595760769 SHKATKSMXOOIGC-DLBZAZTESA-N 479.578 2.120 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1595772715 GURHAIYVYPVEJM-QGZVFWFLSA-N 478.962 2.469 30 10 JEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC1CCC(NC(=O)OC(C)(C)C)CC1 1618158700 GZJNGNQMJPEOSK-OOHWJJMZSA-N 450.561 2.177 30 10 JEEE COc1ccc(OC)c(CN2CCN(C(=O)C3CCN(c4oc(C)nc4C#N)CC3)CC2)c1 1625142324 ADELTRZVQXKDHB-UHFFFAOYSA-N 453.543 2.433 30 10 JEEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(c2ncccc2F)CC1 1632298674 BWXDSOFEGMQRKJ-GOSISDBHSA-N 459.547 2.167 30 10 JEEE N#Cc1ncn(-c2ccccc2NC(=O)CNS(=O)(=O)c2ccccc2C(F)(F)F)n1 1642092790 HEOOJPJYPAWCCY-UHFFFAOYSA-N 450.402 2.075 30 10 JEEE Cn1c(N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccc(F)cc2)c(C#N)c(=O)n(C)c1=O 1655657526 HFVAHXJUTRAKKZ-SJLPKXTDSA-N 457.506 2.300 30 10 JEEE Cc1cc(Br)ccc1CS(=O)(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 1662840924 DKQJQLUJRNLCBR-CQSZACIVSA-N 450.362 2.460 30 10 JEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC2CCN([C@H]3CCCC[C@@H]3O)CC2)cc1 1673392445 FCVQPKYSLSCZAG-SFTDATJTSA-N 450.605 2.383 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC1(S(C)(=O)=O)CC1 1689848356 TXTGGSYQYZHUDM-INIZCTEOSA-N 468.583 2.100 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cc(Cl)ccc1OC 1689930235 NFTMFLQHLUMEGT-IBGZPJMESA-N 482.006 2.323 30 10 JEEE C#CCN(C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1689955384 FKESNJSYPIASEO-XLIONFOSSA-N 473.599 2.236 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CCc1noc(CC)n1)[C@@H]1CCS(=O)(=O)C1 1689983738 GMWBMCGEXAZVEA-QGZVFWFLSA-N 474.974 2.413 30 10 JEEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(C(F)(F)F)cc1C)[C@@H]1CCS(=O)(=O)C1 1689987747 BQNVMWDOLRMLBJ-MSOLQXFVSA-N 495.527 2.231 30 10 JEEE C#CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(N(C)C(C)=O)CC1 1690170252 CTLZLNUQEYJOBY-UHFFFAOYSA-N 465.583 2.407 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C2CCC2)nnc1N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 1690245410 IAFLOFGZIHNVFB-HKBOAZHASA-N 481.663 2.404 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1690662324 ZGSVNKFRUGMIMV-GJZGRUSLSA-N 464.412 2.267 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1690664618 ZSPSESJLYQOZEA-INIZCTEOSA-N 462.957 2.198 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 1690674227 TTXMGODAOWSJLE-UHFFFAOYSA-N 468.558 2.221 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1690715737 SMHRAMCJZYEBLF-AWEZNQCLSA-N 467.621 2.099 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2cccc(C)c2C)n1CC[S@@](=O)CC)[C@H]1CCS(=O)(=O)C1 1705561878 WVHXDIIPAYEAKI-MKWUPHBFSA-N 492.667 2.430 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1CCC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1705568638 SIWWNDDXLYIUMJ-LJQANCHMSA-N 476.574 2.440 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@]1(O)CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1705568733 UOIMBHRJMSZWGX-GEQKSPFYSA-N 476.574 2.174 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCOc2ccc(Cl)cc2)CC1 1705635444 YXOORDVMGCGUDF-QHCPKHFHSA-N 459.978 2.418 30 10 JEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](CN(CC)CC(F)(F)F)C1 1705659052 KDMLLNRJXIDDGL-HZPDHXFCSA-N 458.554 2.306 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Oc1ccccc1C 1705674700 OKVVNZYCWIHHAR-ZILOHOTNSA-N 487.626 2.379 30 10 JEEE C=CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1705803443 QOAUWTFZTWAWDC-LJQANCHMSA-N 456.576 2.291 30 10 JEEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CC(=O)NC(C)C)CC1 1705893648 DBZBQACYKZOHLD-SFHVURJKSA-N 461.611 2.183 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1705937574 YAZFLYQBYMOJJY-QFIPXVFZSA-N 452.621 2.386 30 10 JEEE C=CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1705942623 YRDZCTZYUGKEDE-IBGZPJMESA-N 486.598 2.354 30 10 JEEE CN(CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCO[C@@H](C#N)C1)CC(F)(F)F 1711211549 CHESQEWURYPDER-WMLDXEAASA-N 452.437 2.013 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1nnc(C(C)(C)C)s1)[C@H]1CCS(=O)(=O)C1 1722359560 TYTNPRZHTMJGJK-AWEZNQCLSA-N 450.634 2.400 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1CC[C@H](C)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 1722361082 KVALJYDEGPXGET-PMACEKPBSA-N 456.616 2.231 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCC(=O)N[C@@H](C)CC 1722395069 OZNXIVHDHSBZFF-SFHVURJKSA-N 483.642 2.314 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@](C)(O)c2ccccc2)CC1 1722449276 PBCJDZAIWFGFCC-SANMLTNESA-N 458.566 2.137 30 10 JEEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1722480274 OWUMEANADZPZCX-CVEARBPZSA-N 491.394 2.287 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 1722693845 BPZRUELHNYNECA-LJQANCHMSA-N 463.586 2.498 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](C)[C@@H]1C 1722726895 CSBGSZDXZVJKBH-SQNIBIBYSA-N 483.635 2.422 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1722750760 OEENRIQOEYXWHZ-IBGZPJMESA-N 484.626 2.107 30 10 JEEE C[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)N2CCSCC2)[C@H]1C 1726603168 CURIWKKCMQQVAE-IRXDYDNUSA-N 460.629 2.430 30 10 JEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1740581654 CPZGEWGHILGKBS-HXUWFJFHSA-N 457.600 2.063 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCN(C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1740623759 AJNSHGWTCFKMQA-NRFANRHFSA-N 484.651 2.397 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCCO[C@H]1C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1740627484 QSVLDIYFOLEKKY-ZGXWSNOMSA-N 464.632 2.250 30 10 JEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCN1CCCCC1 1740631324 ANAVKFOVYVOKTL-UHFFFAOYSA-N 453.616 2.105 30 10 JEEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CCn2cc(Br)cn2)CC1 1740698499 WAGLMBWQTRTMGE-UHFFFAOYSA-N 475.420 2.048 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1740766329 HEYYIZAUKLNOJT-PUHATCMVSA-N 468.602 2.144 30 10 JEEE C=C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@]2(OC)CCOC2)CC1 1740819827 GFYWIFHGUYPQSY-QFIPXVFZSA-N 461.588 2.157 30 10 JEEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(c2nnc3n2CCCC3)CC1 1740868143 FKWMQAYUESAWIQ-MRXNPFEDSA-N 462.624 2.166 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(Cc2cnc(C)s2)CC1 1740955123 MNVFWCNNCKRSOI-UHFFFAOYSA-N 467.599 2.343 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC(C(=O)NCc2ccc(C)c(F)c2)CC1 1740959773 DUTAQKXECCFQSZ-HXUWFJFHSA-N 484.576 2.065 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2OC)nnc1N1CCCO[C@H](C)C1 1740994012 LXAWACBWRMIADE-QGZVFWFLSA-N 450.561 2.082 30 10 JEEE Cn1ccc(CCn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@H](C(=O)NCC(F)(F)F)C2)n1 1748023108 HJVFZFAADWXJDJ-QGZVFWFLSA-N 472.475 2.298 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Cl)n1CC1([S@](C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1748810079 RVJABOQAPVIIPI-HOLBHBGLSA-N 467.016 2.136 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCN(C)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1748815616 SBDRQLJDXJZCQA-SFHVURJKSA-N 488.614 2.142 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1oc2ccccc2c1OC 1748863903 KJIWCVFJVLUQEO-INIZCTEOSA-N 455.540 2.154 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC2(C)COC2)CC1 1748990009 FLWNKLQMKIZJSW-LJQANCHMSA-N 458.607 2.184 30 10 JEEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCN2CCN(C)C(C)(C)C2)CC1 1748994463 IKYLQOXGZFZBGT-UHFFFAOYSA-N 479.673 2.255 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](c1ccco1)N1CCCC1 1749054207 PQRPXMBSJAWKEL-JBYIUTFZSA-N 460.604 2.311 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2cn3ccccc3n2)nnc1N(C)CC(=O)NC(C)C 1749134212 WGWNGOPSSOTLES-JPYJTQIMSA-N 451.575 2.459 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](c2ccc(F)cc2)N(C)C)CC1 1749304089 UNLNUWWAFQSONH-NHCUHLMSSA-N 492.621 2.209 30 10 JEEE C=CC1CCN(c2nnc(Cc3cn4ccccc4n3)n2CCS(=O)(=O)NC(C)C)CC1 1749345869 UNZISPWFYJMYFI-UHFFFAOYSA-N 457.604 2.247 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1749668630 BFUMACVXLCZCHM-HXUWFJFHSA-N 484.557 2.007 30 10 JEEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCCN(Cc2nc([C@@H](C)OC)no2)CC1 1749670955 YCLQDCWJJHHERZ-QGZVFWFLSA-N 472.594 2.041 30 10 JEEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 1749754469 NLYAVOUPOJJVBC-SFHVURJKSA-N 454.600 2.172 30 10 JEEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC(F)(F)F)C[C@@]2(CCCOC2)O1 1752318276 HIXVXDOXJHIZDQ-QVKFZJNVSA-N 478.475 2.270 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@@](C)(O)c2cc(C)oc2C)c1 1760129122 YNFPBSLPYQEXOM-QFQXNSOFSA-N 490.564 2.403 30 10 JEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 1760145514 QCBLFAIADMSFFH-SJORKVTESA-N 450.634 2.246 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CCc1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 1760180497 GKKFONJGXXFBKR-REWPJTCUSA-N 493.029 2.453 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1cccc(OC)c1OC)[C@H]1CCS(=O)(=O)C1 1760183913 DWFMGSNFURXXGE-SFHVURJKSA-N 467.551 2.032 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H](C1CCCCC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1760190191 UDNWISSSFVCGSF-FGZHOGPDSA-N 470.643 2.477 30 10 JEEE C#CCN(c1nnc(CSc2ccc(C)cc2)n1C[C@@]1(O)CCSC1)[C@H]1CCS(=O)(=O)C1 1760192147 FIIGPOHAAPNACP-AVRDEDQJSA-N 492.692 2.374 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(Br)s2)n1CCS(=O)(=O)NC(C)C 1760198188 ZPSNABLAEYIMNA-UHFFFAOYSA-N 470.418 2.170 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCCNC(=O)OC(C)(C)C)CC1 1760267964 IBASBBZRSPFJNI-UHFFFAOYSA-N 467.574 2.221 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CCOC1 1760505716 GHLGBSBGNACIFO-HTAPYJJXSA-N 451.568 2.140 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C(=O)c2ccccn2)CC1 1760518572 XJAOUVAHYRTOTN-UHFFFAOYSA-N 483.935 2.397 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1760548079 XXCXOUROKJSKDW-OKYOBFRVSA-N 495.646 2.265 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1760554578 HKECWVYCLRPVJK-OPYAIIAOSA-N 475.615 2.310 30 10 JEEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1760564069 NYVDLRRNYFAVHX-GOSISDBHSA-N 470.647 2.224 30 10 JEEE CCOC(=O)N[C@@H](CC(C)C)Cn1c(C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1765715350 HXVFOFJSBDLQJP-WMZOPIPTSA-N 455.567 2.124 30 10 JEEE CNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC[C@@H](O)C2)CC1 1767699087 GHDWKVFUUFQDES-AZUAARDMSA-N 452.559 2.242 30 10 JEEE CC(=O)NS(=O)(=O)c1ccc(N[C@H](CCOc2ccccc2)C(=O)N2CCC(C=O)CC2)cc1 1860591823 FQJHEGHITRZRDU-HSZRJFAPSA-N 487.578 2.199 30 10 JEEE CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccc(C(=O)O)cc1 1862608153 HVFNVHKNVBCJBY-HXUWFJFHSA-N 452.463 2.296 30 10 JEEE O=C(O)c1ccc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2CCN2CCOCC2)cc1 1862740045 NINYUWGAFDKYBJ-HXUWFJFHSA-N 481.461 2.204 30 10 JEEE C=CCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccn2)[C@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1864891413 KFDYJKANYLVILR-HXUWFJFHSA-N 490.476 2.252 30 10 JEEE COc1ccc(NC(=O)[C@@H](CO)NC(=O)C2CCN([C@H](C#N)c3cccs3)CC2)c(OC)c1 1866869363 ZZWJFIQXYYYYBO-RTBURBONSA-N 472.567 2.158 30 10 JEEE C=CCN(CC=C)c1nc(=NC(=O)c2ccc(NS(C)(=O)=O)cc2)n(-c2ccc(OC)cc2)[nH]1 1870001584 KONBZXGPLRDNST-UHFFFAOYSA-N 482.566 2.500 30 10 JEEE CN(CCO)Cc1cc(=O)c(OCC(=O)Nc2sc3c(c2C#N)CCC3)cn1Cc1ccncc1 1870324326 GDRYNOMLZNXQEV-UHFFFAOYSA-N 493.589 2.155 30 10 JEEE CCCCCCCOc1cn(CCOCCO)c(CNc2ccc(S(N)(=O)=O)cc2)cc1=O 1870837862 BTLIKBUBASSRJN-UHFFFAOYSA-N 481.615 2.466 30 10 JEEE C#CCOc1cn(CCc2ccc(S(N)(=O)=O)cc2)c(CNc2cccc([N+](=O)[O-])c2)cc1=O 1871008584 CYHMOWCZDCONJF-UHFFFAOYSA-N 482.518 2.271 30 10 JEEE CCOCCOC(=O)c1ccc(N2CC(=O)C(c3nc(CC)c(C(=O)OC)s3)=C2N)cc1 1872724756 QKBWKPDVVSHNRN-UHFFFAOYSA-N 459.524 2.402 30 10 JEEE CN(c1cc(C#N)ccn1)C1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc(F)c2)CC1 1891299147 NXUFBNWIFNDIEU-NRFANRHFSA-N 471.558 2.373 30 10 JEEE Cc1c(B2OC(C)(C)C(C)(C)O2)csc1C(=O)N[C@@H]1COC[C@H]1NC(=O)OC(C)(C)C 2255871948 PZVOZRUDRRYBMQ-HUUCEWRRSA-N 452.382 2.378 30 10 JEEE C=C(CS(=O)(=O)NC[C@]1(C)CN(C(=O)OC(C)(C)C)CCO1)B1OC(C)(C)C(C)(C)O1 2255955902 VQQZWKSXJLAEPJ-HXUWFJFHSA-N 460.402 2.119 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@H]2[C@@H](C(=O)Nc3ncc(B4OC(C)(C)C(C)(C)O4)s3)[C@H]21 2256680091 RHQSMEAGBKOSIO-BFHYXJOUSA-N 451.354 2.015 30 10 JEEE CC(C)(C)OC(=O)NC[C@]1(CO)COCCN1C(=O)C1(B2OC(C)(C)C(C)(C)O2)CCC1 2266991149 BVTWVJHKQLPFPP-NRFANRHFSA-N 454.373 2.118 30 10 JEEE Cn1cc(C(=O)NC2CC3(C2)C[C@@H]3NC(=O)OCc2ccccc2)nc1B1OC(C)(C)C(C)(C)O1 2267501469 YJDKJTOHRMLSEG-HTHJYTGDSA-N 480.374 2.297 30 10 JEEE C[C@@H](CN(C)C(=O)OC(C)(C)C)NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(O)cc1O 2267806773 BGHSNMMVXOMLMN-ZDUSSCGKSA-N 450.341 2.382 30 10 JEEE CC(C)(C)OC(=O)N[C@H](C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F)C(C)(C)O 2268720119 PZCAKXKAXXCARW-CQSZACIVSA-N 453.320 2.123 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)NCC(F)(F)C1(O)CN(C(=O)OC(C)(C)C)C1 2272903214 GDENGSYKIBUGPB-AWEZNQCLSA-N 476.521 2.307 30 10 JEEE Cc1oc(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 2281805882 FEGMOBVCVWJLSW-BBWFWOEESA-N 462.352 2.251 30 10 JEEE Cc1nc(C(=O)N2CCO[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)c(B2OC(C)(C)C(C)(C)O2)s1 2282021313 KNOFPLBSTLEHPT-HUUCEWRRSA-N 479.408 2.211 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](CO)[C@@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2282174436 FXYKKNHASOYBAG-MJGOQNOKSA-N 460.380 2.334 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@]2(C[C@H](NC(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)o3)CO2)C1 2282197428 OJCCOZQAPZIHBD-WNSKOXEYSA-N 462.352 2.477 30 10 JEEE Cc1ccc(S(=O)(=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)c1 2282310513 VIPFSHJCSMIOTD-MNZLEMJZSA-N 478.420 2.438 30 10 JEEE CC1(C)OB(c2sccc2CS(=O)(=O)NC[C@H]2COCCN2Cc2ccccc2)OC1(C)C 2282498113 ZEHLDEWPXJAAFB-FQEVSTJZSA-N 492.472 2.368 30 10 JEEE Cc1c(C(=O)N=[S@](C)(=O)C[C@H](C)NC(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282551598 KSZWYWIHBVKLQD-ADAWPZLVSA-N 484.428 2.179 30 10 JEEE Cc1nn(C)c(C(=O)N(C)C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2282572015 GQEVDMUHPGQRCF-INIZCTEOSA-N 462.400 2.357 30 10 JEEE Cc1c(C(=O)N[C@H](C)CC2CN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282592952 KHSQAQQBJSPFEK-CQSZACIVSA-N 462.400 2.403 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1(CN)CCN(Cc2ccccc2)CC1 2282599946 RPGJPGBRDPTJCP-UHFFFAOYSA-N 470.448 2.474 30 10 JEEE Cc1cc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)cc(C)c1B1OC(C)(C)C(C)(C)O1 2282654672 LKTCPNWSEYIUQW-ROUUACIJSA-N 460.380 2.313 30 10 JEEE CC1(C)OB(c2cncnc2C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C(F)F)OC1(C)C 2282698203 AIBMKTCJLYOCNZ-FUHWJXTLSA-N 458.318 2.271 30 10 JEEE CC(C)(C)OC(=O)N1CC(O)(CC(=O)N2CCc3ccc(B4OC(C)(C)C(C)(C)O4)cc32)C1 2283953934 ZIPIESQWMOYNJB-UHFFFAOYSA-N 458.364 2.247 30 10 JEEE CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1CCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C1 2284039872 ZKOJWXCCZFFPHC-IBGZPJMESA-N 460.380 2.146 30 10 JEEE Cc1ccc(NC(=O)[C@H](CCC(N)=O)NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2284053761 SLSVWYCSOUYLIT-KRWDZBQOSA-N 461.368 2.392 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H](CN(C)Cc2ccccc2)C(=O)O)n1 2284423556 UCIQLZZSCCXRED-IBGZPJMESA-N 453.348 2.004 30 10 JEEE C[C@H](CCNC(=O)OC(C)(C)C)CCNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2337290212 RJJCXSOBGNRQFQ-HNNXBMFYSA-N 450.389 2.390 30 10 JEEE COc1nc(N2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](CO)C2)ccc1B1OC(C)(C)C(C)(C)O1 2365344688 QWHZOWGUUOZISK-NVXWUHKLSA-N 463.384 2.101 30 10 JEEE COc1nc(N2CCN(C(=O)OC(C)(C)C)[C@H]3COC[C@H]32)ccc1B1OC(C)(C)C(C)(C)O1 2365348672 TWOOGQAMLXTFTB-SJORKVTESA-N 461.368 2.214 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)Nc3cc(Cl)ccc3-n3cncn3)cc2C1=O 9701755 VBASRKNTBLUEMC-UHFFFAOYSA-N 465.853 2.498 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(OCC)c(S(=O)(=O)N4CCOCC4)c3)cc2C1=O 18092482 UJCHLKICPGGKGI-UHFFFAOYSA-N 499.545 2.141 30 10 JEEE COc1ccc([C@H]2c3c(nc(N4CCC(C)CC4)[nH]c3=O)NC(=O)[C@H]2C#N)c(OC)c1OC 72445306 MVNNYZOAFOWTOG-GOEBONIOSA-N 453.499 2.256 30 10 JEEE COc1cccc([C@@H]2c3c(nc(NCc4ccc5c(c4)OCCCO5)[nH]c3=O)NC(=O)[C@@H]2C#N)c1O 72461303 MPWXMYXXHYYTNG-BEFAXECRSA-N 489.488 2.481 30 10 JEEE COc1ccc(OC[C@H](O)Cn2c(NN=C(C)c3ccccc3)nc3c2c(O)nc(=O)n3C)cc1 254413597 VOTSBGBCVSYZRX-QGZVFWFLSA-N 478.509 2.120 30 10 JEEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)S(=O)(=O)CCN1C(=O)c2ccccc2C1=O 704374412 ZDTQRURRECLAKX-UHFFFAOYSA-N 484.383 2.044 30 10 JEEE C[C@@H](OC(=O)CCn1c(=O)nc(O)c2ccccc21)C(=O)Nc1sc2c(c1C#N)CCC2 918919103 AHUJHKUZYHNWBV-GFCCVEGCSA-N 452.492 2.484 30 10 JEEE C=CCN1CC[C@H](N(C)C(=O)c2cnn(-c3ccccc3)c2I)C1=O 1128500630 KIXBSVOYZBEQOH-HNNXBMFYSA-N 450.280 2.336 30 10 JEEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccc(CC(=O)N3CCSCC3)cc2)n1 1199626697 ZVOOSDYYSKCETE-UHFFFAOYSA-N 455.584 2.315 30 10 JEEE CC(C)(C)OC(=O)N(CC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N)C[C@@H]1CCCO1 1265833382 DCJPEHMAUCWNED-SJORKVTESA-N 452.552 2.374 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC1(c2ccccc2)CCC1)[C@H]1CCS(=O)(=O)C1 1286381837 OFGGDJVSHREVEU-FQEVSTJZSA-N 469.611 2.165 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(C)C)n1C[C@H]1CCCN(C(C)=O)C1 1286452406 NQILQXKFFIGEKO-FQEVSTJZSA-N 454.550 2.454 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1Cc1cnn(C)c1C 1286462734 SXXYPZYXZLQTEP-UHFFFAOYSA-N 474.569 2.241 30 10 JEEE C#CCN1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCN(C)C(=O)OC(C)(C)C)CC1 1286479890 PJXHGDXMDBVPFY-UHFFFAOYSA-N 492.584 2.216 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cn4ccccc4n3)n2CCCSC)CC1 1286492983 CUEIKKUQNXZZSP-UHFFFAOYSA-N 451.600 2.236 30 10 JEEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 1286514848 QUIIWYIFNHMMBH-CECAUBDESA-N 488.610 2.439 30 10 JEEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1286538888 SZLBOYCDXIQRLI-MSOLQXFVSA-N 481.439 2.214 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)COC)CC1 1286550877 JZKTYVMFBFWCHO-UNMCSNQZSA-N 450.543 2.093 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCCN(CC)C(=O)C1 1286552415 MIOMMBMFBBYQPS-DENIHFKCSA-N 487.626 2.388 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1286582317 WMKCTGRRWFFOMD-FGZHOGPDSA-N 473.643 2.198 30 10 JEEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CC(C)C)C(=O)C1 1286592350 AFQCJVONORGGIA-GOSISDBHSA-N 462.595 2.467 30 10 JEEE C=C(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C)c1ccccc1 1286616643 AOGAVFMUYHEDEI-ONTIZHBOSA-N 488.658 2.243 30 10 JEEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc(S(C)(=O)=O)cc1 1286722179 QRBCRMUVBYSNPP-UHFFFAOYSA-N 474.612 2.312 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H]2CCS(=O)(=O)C2)C1 1286806492 CSTQZICKSFJGLZ-HOTGVXAUSA-N 452.527 2.363 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)ccc2C)nnc1N1CC[C@H](C(=O)OC)C1 1286822855 INOORHSGRNIQQA-SFHVURJKSA-N 462.572 2.074 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2CC)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1286822952 JJERARFWOGRKIT-WOJBJXKFSA-N 487.626 2.268 30 10 JEEE C=CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C)C(=O)[C@@H]1C 1286832757 YQONDGOBDMOECY-IRXDYDNUSA-N 480.635 2.173 30 10 JEEE CCN(CC)CCCn1c(-c2cccnc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1295532046 AAORFSLZRKJOSY-UHFFFAOYSA-N 462.606 2.312 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1CC(=C)Cl)[C@@H]1CCS(=O)(=O)C1 1300485033 VYUDMXBFGCCZRE-CQSZACIVSA-N 472.796 2.425 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@H]1CC(F)(F)CO1)[C@H]1CCS(=O)(=O)C1 1300488564 FITMLYUCJLGHBL-DOTOQJQBSA-N 496.536 2.013 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccn2C)n1Cc1ccc(N2CCOCC2)c(F)c1 1300664547 QSDPZUUFGJUGQY-UHFFFAOYSA-N 452.534 2.394 30 10 JEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(NC(=O)NC(C)C)cc2)CC1 1300707440 ZFOPZJHXEQINBC-UHFFFAOYSA-N 489.628 2.473 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2Cc2cnn(CC(C)C)c2C)CC1 1300725851 KUIGSIJUNNTLEL-NRFANRHFSA-N 467.618 2.347 30 10 JEEE C#CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1300740687 AUDWZLBOXRSTKF-ZBFHGGJFSA-N 477.432 2.375 30 10 JEEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1300848144 BDBCFIRETJGDHM-INIZCTEOSA-N 499.435 2.016 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1300875643 NUUHJEYLJXEWQK-NXLVEIQXSA-N 451.527 2.158 30 10 JEEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CCS(C)(=O)=O)C1CC1 1300952315 QMAHFUKKVRRCBL-KRWDZBQOSA-N 469.608 2.176 30 10 JEEE C=C(Cl)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(c2ncccn2)CC1 1301023130 CGJBYZYVWKAIHE-UHFFFAOYSA-N 459.963 2.218 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCCN(CC(F)(F)F)CC1 1301493227 WSWOZOFQGDIKNH-UHFFFAOYSA-N 482.507 2.339 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2Cc2nncn2C)C1 1301568757 XNLLYJQWCDJVQI-IRXDYDNUSA-N 458.567 2.308 30 10 JEEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@@H]1CCCCN1CC 1314393317 FDEQXBAKFNPAOR-OALUTQOASA-N 453.595 2.066 30 10 JEEE CCS(=O)(=O)CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)C[C@@H](C)C#N 1314534725 HPJIXUWMXZAPHG-DLBZAZTESA-N 468.624 2.423 30 10 JEEE C=CCN(Cc1cc(Br)ccc1F)C(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 1358208991 WDDDIQQIGFCZRN-AHCXZYCDSA-N 451.292 2.265 30 10 JEEE C#CCN(C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1358941540 NWOSXGOSZUQLCK-UWJYYQICSA-N 473.599 2.236 30 10 JEEE C#CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CC1(S(C)(=O)=O)CC1 1358943872 ZCMIBHKEFOEPNR-UHFFFAOYSA-N 453.362 2.363 30 10 JEEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC[C@H]1CCCN1C(=O)OC(C)(C)C 1358948776 LDDNSMYQKPBRID-ZWKOTPCHSA-N 465.620 2.429 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@@H]1CC(F)(F)CO1)[C@H]1CCS(=O)(=O)C1 1358959977 UAYKEIJIQBSJPS-HOTGVXAUSA-N 466.510 2.005 30 10 JEEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1CN(C(=O)OC(C)(C)C)C1 1358970115 GDBKPEPFJUGYDH-DEOSSOPVSA-N 457.575 2.258 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC1([S@@](C)=O)CCC1 1358976755 PCGRDPSRABGJKZ-UUWRZZSWSA-N 476.606 2.439 30 10 JEEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1sccc1Br 1359026510 AEVAUOTWJGEDHV-UHFFFAOYSA-N 452.378 2.359 30 10 JEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2cccc(Cl)c2)CC1 1359049758 VRVFNLURGDGAHK-QGZVFWFLSA-N 497.090 2.230 30 10 JEEE C=CCCOCCn1c([C@H]2CCCO2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1359229496 KSFREPZPEMUGQD-BAGYTPMASA-N 460.623 2.101 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CC[C@@](F)(C#N)C1 1359330926 HEIYJRSVUJOJFO-HSZRJFAPSA-N 499.572 2.108 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1ccc(N2CCCCC2)nc1 1360693362 HKFRLVANLYCRKG-MBSDFSHPSA-N 486.646 2.452 30 10 JEEE C#C[C@H](NC(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1)c1ccc(Cl)cc1F 1478902157 ZDLAFYOIVDQQRD-IBGZPJMESA-N 458.925 2.312 30 10 JEEE C[C@H]1CCCCN1CCCn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1 1493660515 FEJSSFSKHXOSIB-FQEVSTJZSA-N 465.602 2.376 30 10 JEEE COCCC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1504739876 CGSDINRSDVMMEN-KRWDZBQOSA-N 460.604 2.350 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2ccccc2OC)n1Cc1ccc(N2CCOCC2)nc1 1507651279 JXSCALBXALPIQD-UHFFFAOYSA-N 456.550 2.230 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCN2CCSCC2)CC1 1507719777 AVUDHWCPNFMFDR-LJQANCHMSA-N 458.607 2.361 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2sc(C)nc2C)CC1 1507735566 CHUDWMLCFKZHHS-DEOSSOPVSA-N 486.642 2.406 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCO[C@H]2C(C)C)CC1 1507739954 HEHQUTZSUBBBJZ-UGKGYDQZSA-N 498.653 2.297 30 10 JEEE C=C(Br)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1507790527 LWOMLWLPZHLOFF-NVXWUHKLSA-N 457.332 2.352 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](c2ccco2)N(CC)CC)CC1 1507883821 ADFTUMFPWOYDDR-PZJWPPBQSA-N 492.646 2.444 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC(C(=O)OC)CC1 1508090651 OXNFVEHHLUAWLC-SFHVURJKSA-N 490.605 2.084 30 10 JEEE CN(C)C(=O)CCCn1c(-c2ccccn2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1516952587 GXLJANGIXMVNFP-UHFFFAOYSA-N 458.570 2.402 30 10 JEEE C#CCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCN2C(=O)NC[C@H]2C1 1539102083 SLTPZYRNPMOPSS-AWEZNQCLSA-N 459.348 2.343 30 10 JEEE C#CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1CCCN1CCCO 1539175764 ASFITJLIGVCZCD-PMACEKPBSA-N 460.623 2.309 30 10 JEEE C#CCN(c1nnc(-c2ccccc2)n1CCCN1C[C@H](C)O[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1539210847 GVLJWFKADCOZQJ-ONTIZHBOSA-N 471.627 2.071 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2Cc2cnn(CCOC)c2)CC1 1539435767 ABJPACDBGCPPEJ-UHFFFAOYSA-N 457.941 2.384 30 10 JEEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2cc(C)ccc21 1539751115 GWMZCMWXEXDIEJ-HXUWFJFHSA-N 461.588 2.206 30 10 JEEE C=C(Cl)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1539812442 PFJPNMGOEQOOJO-UHFFFAOYSA-N 487.004 2.095 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCn1cc(CO)nn1 1540070730 DENAKIZBMGYHFS-QGZVFWFLSA-N 460.583 2.189 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1540879782 OEVPZJNPEIZSTD-UUOWRZLLSA-N 455.559 2.414 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Br)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1540900021 IVRHYBJVWMPFTJ-PBHICJAKSA-N 494.415 2.023 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N(C)Cc1ccccc1N1CCOCC1 1540908346 TWHKWENPMRWNEO-OAQYLSRUSA-N 475.615 2.203 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1540908951 SKJYJYULNCYMAJ-WOJBJXKFSA-N 497.017 2.496 30 10 JEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCCN1CCN(C(=O)OC(C)(C)C)CC1 1541005778 LHJSTMSHEWTMPU-SFHVURJKSA-N 452.596 2.352 30 10 JEEE CCCN1CC[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(NS(=O)(=O)CC)CC2)C1 1547170880 BMNSYDGCKHTOJC-FQEVSTJZSA-N 485.658 2.457 30 10 JEEE Cn1cncc1C(=O)N1CCC2(CC1)CN(c1ccc(C#N)c(C(F)(F)F)c1)C[C@@H]2C(N)=O 1548377798 YXAXGNADASDDNM-QGZVFWFLSA-N 460.460 2.155 30 10 JEEE C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)N(CCC#N)CCCN(C)C)cc2)C[C@H](C)O1 1562106797 HEFVUWNEFMPUMO-ROUUACIJSA-N 451.593 2.184 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1587633225 SKCASKZFMJVTJD-MBOBHEEDSA-N 497.600 2.377 30 10 JEEE C#CCCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1587754996 QDDSODAGNGYIRD-GOSISDBHSA-N 482.610 2.492 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCN(C2CC2)C1 1588646419 JTGUSZBMICBEGO-TZIWHRDSSA-N 488.633 2.157 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@H](C)Oc2ccc(F)cc2)CC1 1588924107 VHMGTJVAEHRLFU-KRWDZBQOSA-N 463.517 2.308 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2Cc2cscc2C(F)(F)F)CC1 1588961602 FXCJBTOXKURNAN-UHFFFAOYSA-N 494.543 2.495 30 10 JEEE C#CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCCN(CCC)C(=O)C1 1589053192 JPHKXLPRZZCGBV-UHFFFAOYSA-N 489.671 2.053 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N(C)CCCS(C)(=O)=O 1589557230 HCPQRBXKXXCVOJ-VQIMIIECSA-N 453.634 2.486 30 10 JEEE C=CCCOCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1594798373 QGSQWLCFRSBDIR-SFHVURJKSA-N 456.547 2.111 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)N2C[C@@H](C(=O)OCC)[C@H](C(F)(F)F)C2)ccc1F 1611126703 GOTFXIZPUYRAKW-CHWSQXEVSA-N 452.426 2.104 30 10 JEEE Cc1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)n(C)n1 1612469202 BASRFXZNXPZJKS-IAGOWNOFSA-N 471.587 2.077 30 10 JEEE C#CCN(C(=O)CNC(=O)c1cc(OC)cc(OC)c1)C1CCN(C(=O)OC(C)(C)C)CC1 1645455110 WZZZYEPHUZTOMZ-UHFFFAOYSA-N 459.543 2.295 30 10 JEEE C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCNC(=O)[C@@H]1c1ccc(I)cc1 1681288607 FDAHKTGWUDKKAK-PMPSAXMXSA-N 455.296 2.207 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1CC1(CN2CCOCC2)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1689980767 XCCVCUAVODAONQ-OAQYLSRUSA-N 491.702 2.485 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCc1cc(C(F)(F)F)ccn1)[C@@H]1CCS(=O)(=O)C1 1689991168 XLDLWKOWUCLCEF-QFBILLFUSA-N 497.543 2.455 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(Br)s2)n1C[C@@H]1CCS(=O)(=O)C1 1690008154 XHZIXAVAWJWVAI-ZDUSSCGKSA-N 453.387 2.277 30 10 JEEE C#CCN(CC#C)c1nnc(CCc2ccccc2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1690023670 BTVRCSPEKZRGNC-GOTSBHOMSA-N 465.623 2.340 30 10 JEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1Cc1cc2c(cc1OC(F)F)OCO2 1690052851 RUCKZWDEMBSFJV-UHFFFAOYSA-N 471.464 2.242 30 10 JEEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H](c1ccc(C)o1)N1CCOCC1 1690061116 RFEHYSUXWDCXDV-GBXCKJPGSA-N 457.575 2.365 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CC2(C(N)=O)CCOCC2)CC1 1690111814 KJRUTAIJGSYTOJ-SFHVURJKSA-N 487.004 2.109 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2CC2CCN(C(C)=O)CC2)CC1 1690140340 VPQWUKZZSACPNX-UHFFFAOYSA-N 462.598 2.478 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccn2C)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1690244042 SKMBCWSTPMCBFV-DYXWJJEUSA-N 476.647 2.373 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1csc(CC)n1 1690264729 BFRVFLJNYGJDCN-KRWDZBQOSA-N 468.649 2.275 30 10 JEEE C=CCCOCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(C(=O)NC)CC1 1690509121 XJAJMBFRHTTYMG-LJQANCHMSA-N 491.637 2.447 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CCC(N2CCNC2=O)CC1 1690663365 UKXPXWBBNYYGAS-UHFFFAOYSA-N 488.390 2.004 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@H](c2noc(C)n2)C1 1690675668 BFBLOZWCJDXOBS-KRWDZBQOSA-N 473.921 2.082 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCS(=O)(=O)NC(C)C)C1 1690688114 ORDXLAGURNUKPI-OAHLLOKOSA-N 487.424 2.145 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3noc4c3COCC4)n2CCS(=O)(=O)C(C)(C)C)C1 1690697593 YLVTYACDOJHXIN-OAHLLOKOSA-N 465.576 2.000 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1690725302 LQXONQVMWUXVQO-NTKDMRAZSA-N 490.626 2.253 30 10 JEEE Cc1nc(CN2CCN(c3nnc(COc4ccc(C#N)cc4)n3CCC(=O)N(C)C)CC2)oc1C 1692903160 FMBMLJRREDPJHL-UHFFFAOYSA-N 492.584 2.134 30 10 JEEE CC[C@@H](C)N(C)CCn1c(C(=O)NC(C)C)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1694241621 CNLOSBXDSCINGF-GOSISDBHSA-N 470.597 2.484 30 10 JEEE COCCN(CCC#N)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H]1CCOC[C@@H]1OC 1698060592 DAAITAVAZSEIEO-YYWHXJBOSA-N 457.531 2.209 30 10 JEEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1CCc1ccc(S(N)(=O)=O)cc1 1705547510 SUTDKDPNZOXSMK-UHFFFAOYSA-N 477.388 2.006 30 10 JEEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1ccccc1C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1705568154 ILUOXXLIPCBWHH-QGZVFWFLSA-N 495.527 2.094 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCc2csc(CC)n2)CC1 1705653018 WJLWKDVKWKZJKI-RXVVDRJESA-N 486.642 2.230 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(OCC2CC2)CC1 1705698290 RSFSFWOVRSQHLS-POAQFYNOSA-N 467.636 2.265 30 10 JEEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1705825367 RRDMUNJVCBOVFP-UHFFFAOYSA-N 488.614 2.456 30 10 JEEE C=CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1705892747 DXBOIKMKSLRSEU-UHFFFAOYSA-N 485.595 2.191 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@@H](c2ccc(F)cc2F)C1 1705894673 HBVQAEZDNVWJLB-LJQANCHMSA-N 476.528 2.355 30 10 JEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 1705905601 ASXFGGXCLFEGKJ-UHFFFAOYSA-N 471.631 2.307 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CC(C)(C)N2C[C@H](C)O[C@H](C)C2)C1 1705929210 LJSOOKSBCJVFIL-ZCNNSNEGSA-N 460.623 2.070 30 10 JEEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCOCCCO)CC12CCCCC2 1705997170 GCSQMOMIUBZBNG-UHFFFAOYSA-N 496.612 2.499 30 10 JEEE C[C@@H]1OCC[C@@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(F)(F)F)CC1 1708275526 FNWVPYXLCSZDED-MGPUTAFESA-N 450.465 2.041 30 10 JEEE COC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCc2cnn(C)c2)CC1 1711455994 FZZGCXLIXJHRSQ-UHFFFAOYSA-N 463.542 2.484 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1Cc1ccccc1CC)[C@@H]1CCS(=O)(=O)C1 1722358008 BXVYBKYCRCHEMT-HXUWFJFHSA-N 478.578 2.163 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1nccn1C(F)F)[C@H]1CCS(=O)(=O)C1 1722371172 ULNDSLYMWWDKTE-LZLYRXPVSA-N 496.584 2.463 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCc2ccccc21 1722413779 RKMUSMGNSRUGGL-FPOVZHCZSA-N 457.600 2.191 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](C)Cc2cccs2)CC1 1722448005 TYGFZLSBWMIJRQ-HKUYNNGSSA-N 489.667 2.086 30 10 JEEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cc(C)ccc1F 1722460474 GOCOJKNVZSSNJL-LJQANCHMSA-N 481.619 2.061 30 10 JEEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1722481448 ZIZDWTRDRYYWBC-HOCLYGCPSA-N 455.357 2.222 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(=O)OC)CC1 1722495026 PINMKPZZLIFFGZ-ICSRJNTNSA-N 489.598 2.218 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCN(C(=O)OC)[C@@H](C)C2)nnc1[C@@]1(OCC)CCOC1 1722503728 XPYGCPFFOBBELB-QPXQOZNCSA-N 463.579 2.188 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ccc(F)c(F)c2)CC1 1722566275 ODWSGHZSBUJDBX-IBGZPJMESA-N 467.542 2.288 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCCN1CCC)C1CC1 1722650607 GSSCFQBHBCOEKJ-UXHICEINSA-N 466.652 2.030 30 10 JEEE C=CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1CCN(C(C)=O)CC1 1722680037 UROARYCIXPATJN-UHFFFAOYSA-N 489.646 2.136 30 10 JEEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 1722701079 FOBSWDLRPQNBMH-UHFFFAOYSA-N 464.530 2.312 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1722723866 HJIQZNRUXGAXDV-MSOLQXFVSA-N 495.552 2.395 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 1722727078 HZHDSCQZKGKMAE-UHFFFAOYSA-N 493.634 2.115 30 10 JEEE CC[C@H](C)NC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cc(C)on2)CC1 1727109028 DOWDUTONKKVQGK-SFHVURJKSA-N 492.584 2.110 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2Br)n1CCN1CCCS1(=O)=O 1740546362 UXSODDILYBPJIN-CQSZACIVSA-N 452.378 2.201 30 10 JEEE C#CCCCn1c(-c2ccccc2OC)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1740586354 XWGWTTICTDFSJS-UHFFFAOYSA-N 470.555 2.007 30 10 JEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(=O)Cc2cccc(F)c2)CC1 1740590998 LEICKSQZCRXYLA-HXUWFJFHSA-N 487.601 2.014 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CCN1CC=CCC1)[C@H]1CCS(=O)(=O)C1 1740618565 JAHQIOUJGRRDDS-QFIPXVFZSA-N 453.612 2.396 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1740664238 JLUVTZDRTYYJBU-RDPSFJRHSA-N 487.626 2.383 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCC(=O)NC1CC1 1740676630 IXOJBJMUWAYPGU-SFHVURJKSA-N 473.574 2.018 30 10 JEEE C#CCN1CCN(c2nnc(-c3nn(C(C)C)c(=O)c4ccccc34)n2CCN(C)C(C)C)CC1 1740695371 ONBRQYSVGMSGIQ-UHFFFAOYSA-N 476.629 2.331 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Cl)n2Cc2cnn(CCOC)c2)CC1 1740704592 UERVWCDALYLSEV-UHFFFAOYSA-N 481.988 2.456 30 10 JEEE C=CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1740944130 VHPVGDDUQYCUFD-VGOFRKELSA-N 454.575 2.137 30 10 JEEE C=CCn1c(CSc2ccccc2OC)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1740950177 UIGLBCWJFAEOQP-HNNXBMFYSA-N 454.560 2.297 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCN2CCN(C)C(C)(C)C2)C1 1740972389 HPMSORRFJWPDII-BWKNWUBXSA-N 476.666 2.126 30 10 JEEE CC(C)C(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)CC2CC2)CC1 1741276362 DJSPIAPWSFXWNT-UHFFFAOYSA-N 484.626 2.383 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1CCc1ccc(NC(C)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1748812687 ZBUIOYSVELWXEO-OAQYLSRUSA-N 478.578 2.168 30 10 JEEE C#CCN(c1nnc(C2CCCC2)n1CCN(C)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1748816049 WFLHHICODQUUIW-GOSISDBHSA-N 465.620 2.429 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1Cc1cccc(Cn2cccn2)c1)[C@@H]1CCS(=O)(=O)C1 1748817604 MYSPRQRJLVYFCC-JOCHJYFZSA-N 466.611 2.396 30 10 JEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@@](C)(O)c1cc(C)oc1C 1748961241 YUWLIPSOIJAQDL-HSZRJFAPSA-N 455.515 2.209 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2nc(C(C)(C)C)cs2)CC1 1748971364 MYPAIEKMRDYUIC-UHFFFAOYSA-N 455.632 2.266 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2Cc2ccc(OC)nc2)CC1 1749011180 XOSSHUWEWZEOGT-UHFFFAOYSA-N 460.538 2.371 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2CCO[C@H]2C(C)C)CC1 1749020376 QVRCJATVXBEQPU-MLNNCEHLSA-N 473.618 2.029 30 10 JEEE C#CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CCN(C(C)=O)C[C@@H]1C 1749023335 RIYKLSJWWFIDIU-AWEZNQCLSA-N 465.421 2.470 30 10 JEEE C#CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1749046596 CESMTSDOCXKTJL-LJQANCHMSA-N 464.613 2.246 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCS(C)(=O)=O 1749064662 FKZUALAPOXORJV-HSZRJFAPSA-N 468.583 2.102 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)=C(C)C1 1749131749 VGHBAYHIVCZKPR-AABGKKOBSA-N 465.620 2.139 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)=C(C)C1 1749131752 VGHBAYHIVCZKPR-ZCNNSNEGSA-N 465.620 2.139 30 10 JEEE C=CCCOCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](C(N)=O)C1 1749457117 ODTYBYWOIKLJQL-ZWKOTPCHSA-N 462.595 2.297 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1749659255 ZVKVWSGZKJLYER-INIZCTEOSA-N 492.671 2.048 30 10 JEEE C=CCSCCn1c(-c2ccccn2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1749750866 GBPXERPAVZORGJ-UHFFFAOYSA-N 455.632 2.394 30 10 JEEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCCO[C@@H](C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1760186182 BJOVSMQMEIYUHN-JBACZVJFSA-N 485.610 2.024 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1CCN1CCC[C@@H](C)C1 1760240240 LMUQITVDCQWPJN-MOPGFXCFSA-N 476.622 2.399 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2c(CC)noc2C)CC1 1760261030 GFBFFWOZTHCFAY-OAQYLSRUSA-N 499.616 2.249 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCc2c[nH]c3ccc(F)cc23)CC1 1760265303 WKAABDBDMGDWJG-UHFFFAOYSA-N 479.560 2.245 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2Cc2ccc(C#N)o2)CC1 1760267584 RRXBAXDVOCKDBE-UHFFFAOYSA-N 474.521 2.441 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C1CCN(CCC)CC1 1760315794 JALDCOQHJKZTCC-GGPKGHCWSA-N 468.668 2.180 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccccc2F)nnc1N1CCN(C(=O)NC)CC1 1760323398 CPGPNCAIGNRRRB-UWJYYQICSA-N 458.538 2.439 30 10 JEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(O)(Cc2ccccc2F)CC1 1760450247 HDGQLMLKJJBVFV-FQEVSTJZSA-N 492.617 2.486 30 10 JEEE C=CCN(CCOC)c1nnc(-c2cccc(C)n2)n1C[C@@]1(N2CCOCC2)CCSC1 1760503104 YYOLDUUMPSYKMS-QHCPKHFHSA-N 458.632 2.495 30 10 JEEE C=CCOc1ccc(Cn2c(-c3cnccn3)nnc2N2CCC(NC(=O)COC)CC2)cc1 1760529946 MOAASASOENADLX-UHFFFAOYSA-N 463.542 2.080 30 10 JEEE CCN1CCN(CCCn2c(COc3ccc(C#N)cc3)nnc2N2CCC(C#N)CC2)CC1 1765576425 FVNJAQBXKPZDMV-UHFFFAOYSA-N 462.602 2.496 30 10 JEEE COc1cc(OC)cc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CC(=O)NCC(F)(F)F)c1 1768376684 GOMRDCPYBCLLDK-SFHVURJKSA-N 456.400 2.083 30 10 JEEE N#CCC1CCN(c2nnc(CNC(=O)c3cccs3)n2CCCN2CCOCC2)CC1 1770754207 CPIGXKNFANAGFJ-UHFFFAOYSA-N 457.604 2.122 30 10 JEEE C=CCOc1ccccc1[C@H]1C(C(=O)N2CCN(C(C)=O)CC2)=C(N)Oc2c1c(CC)nn2CC 1865224261 DLAQWYRWEUFQAH-OAQYLSRUSA-N 479.581 2.416 30 10 JEEE Cc1ccc([C@H](C#N)NC(=O)[C@@H](CO)NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccccc2)C3=O)cc1 1867622906 FBZHNJDCPWWFKA-BJKOFHAPSA-N 496.523 2.263 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cn1C[C@H](C)O 1870696399 FBNPJSHJQDUFSP-KRWDZBQOSA-N 486.525 2.337 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)Nc2ccccc2C)cn1CCNC(C)=O 1870707844 YTRNHFPYDWMKMZ-UHFFFAOYSA-N 452.555 2.484 30 10 JEEE COC(=O)c1ccccc1N1C[C@H](C(=O)NC2CCN(Cc3ccc(C#N)cc3)CC2)CC1=O 1873723977 BNYFYJDFESGLKU-HXUWFJFHSA-N 460.534 2.479 30 10 JEEE COCCc1nnc(SCC(=O)NCc2ccco2)n1/N=C/c1cccc(OC)c1OC 1874470670 LXMFSZBPBCEWBZ-FSJBWODESA-N 459.528 2.368 30 10 JEEE COCc1nnc(SCC(=O)NCc2ccccc2)n1/N=C/c1ccc(O)c([N+](=O)[O-])c1 1874506079 MLBRGIDCTWUDPS-SSDVNMTOSA-N 456.484 2.329 30 10 JEEE COCCn1c(C(=O)N2CCC(Oc3ncccc3C#N)CC2)cc2c(=O)n3ccccc3nc21 1891650643 MGLZWDIEQMJXIK-UHFFFAOYSA-N 472.505 2.246 30 10 JEEE C#CCOC1CCN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc(NC(=O)OC)cc2)CC1 1892159431 MTQHYQACHOERJO-HXUWFJFHSA-N 463.556 2.049 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N(C)[C@@]2(CNC(=O)OC(C)(C)C)CCOC2)C1 2255191916 HZDYRAXKCCBJGV-AVBDTAHFSA-N 451.564 2.435 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C1 2256677927 IWOXGDNEGQYAHW-ZDUSSCGKSA-N 453.370 2.264 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(C)C(C)(C)CNC(=O)OC(C)(C)C 2267153415 BIOXPSIIURBVDR-UHFFFAOYSA-N 450.389 2.403 30 10 JEEE CN(C1CC(OCc2ccccc2)C1)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2267372088 JJXACAPAYFWZNQ-UHFFFAOYSA-N 461.393 2.088 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)CCO1 2267556667 GUPXKNPMKSFMFO-CABCVRRESA-N 450.341 2.381 30 10 JEEE C[C@@H](N(Cc1ccccc1)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)C(C)(C)O 2267719523 DKAFRNVKNDMVEK-MRXNPFEDSA-N 463.409 2.070 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](CC(=O)NCc2ccc(B3OC(C)(C)C(C)(C)O3)s2)[C@@H](O)C1 2268668934 JHTGLEOBGHXSQG-HOCLYGCPSA-N 466.409 2.281 30 10 JEEE CN(CCNC(=O)OC(C)(C)C)CC(=O)N(C)Cc1sccc1B1OC(C)(C)C(C)(C)O1 2268708640 DJIQPPDLOGXYNW-UHFFFAOYSA-N 467.441 2.462 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H](O)CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(F)cc1Cl 2270429743 PECFFXXDNCUMOZ-LBPRGKRZSA-N 472.750 2.394 30 10 JEEE CC(C)(C)OC(=O)N1CC(N2CCC[C@@H]2C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C1 2271806451 GISKEYRAGCNXIR-IFMALSPDSA-N 453.587 2.307 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2c(F)cccc2B2OC(C)(C)C(C)(C)O2)[C@H](O)C1 2281784064 SXHJGAFWBYHZCE-DLBZAZTESA-N 464.343 2.225 30 10 JEEE Cc1cc(C(=O)N2CCO[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)oc1B1OC(C)(C)C(C)(C)O1 2281960933 GQTDFKUYDSVIDN-DOTOQJQBSA-N 462.352 2.348 30 10 JEEE Cc1c(C(=O)N2CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281990797 RKUVIGVJKBBKEX-GDBMZVCRSA-N 462.400 2.403 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC23CC(CN2C(=O)OC(C)(C)C)C3)n1 2281995694 GJQDTPSJIBMOPX-UHFFFAOYSA-N 460.384 2.332 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H]2OCCN(C(=O)c3csnc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2281997421 BIWIJSOWTKHEOZ-JKSUJKDBSA-N 479.408 2.293 30 10 JEEE COC(=O)C1(NC(=O)c2scc(C)c2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2281999587 FZYYAFFITQTHDC-UHFFFAOYSA-N 480.392 2.248 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H](NC(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)C[C@@]2(C)C1 2282064431 ZWSIQKJGGBFQLJ-AQKDONEWSA-N 460.384 2.474 30 10 JEEE CC[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2282573186 WNUYYHQOSBBIJT-NVXWUHKLSA-N 462.400 2.485 30 10 JEEE Cc1c(C(=O)NC[C@H]2[C@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282581677 KXORXYATRGTQQB-HRCADAONSA-N 460.384 2.013 30 10 JEEE Cn1cc(C(=O)N2C[C@H]3CCC[C@@]3(NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2282583221 HDRAKGUXUIYXNB-IQMFZBJNSA-N 460.384 2.239 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1CC2(C1)C[C@H]2NC(=O)OC(C)(C)C 2282588070 CXCKOICSEOZIPL-JNJNIUAWSA-N 460.384 2.378 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](NC(=O)c3cccc(B4OC(C)(C)C(C)(C)O4)c3)CO[C@H]2C1 2282673753 AMXNCWJXKQQZMB-FHWLQOOXSA-N 458.364 2.350 30 10 JEEE CN(Cc1ccccc1)C1(CNC(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CCCC1 2282694773 JFNAOUQWOGIYOZ-UHFFFAOYSA-N 453.396 2.289 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N1CCc2cc(B3OC(C)(C)C(C)(C)O3)ccc2C1 2284054766 IUZMRIYRGIROAF-IBGZPJMESA-N 460.380 2.146 30 10 JEEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)[C@H](CN)[C@@H](CNC(=O)OC(C)(C)C)OC 2327301016 BZWGQOSWHNOQKW-RTBURBONSA-N 454.612 2.188 30 10 JEEE C[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)N(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)C1 2362353143 VICIACBNCIFDSU-JKSUJKDBSA-N 462.400 2.485 30 10 JEEE COc1cccc(-n2c(=O)/c(=C\c3cnn(C)c3)s/c2=C(/C#N)C(=O)c2ccc(F)cc2)c1 10880862 VJMAYUHQEHKQII-FCKAOKPRSA-N 460.490 2.166 30 10 JEEE Cc1ccc(C(=O)N/C(=C\c2ccccc2)C(=O)Nc2ccc(S(=O)(=O)N=C(N)N)cc2)cc1 33399249 IUAXJYGSROFWDZ-QNGOZBTKSA-N 477.546 2.367 30 10 JEEE COc1cc(/C=C2/Oc3c(CN4CCN(CCO)CC4)c(O)cc(C)c3C2=O)cc(OC)c1OC 37857537 CKILOHRSJBFIEZ-UDWIEESQSA-N 484.549 2.453 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H]1CNc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 204869718 ZHISWDNVLYYXGY-WMZOPIPTSA-N 489.426 2.482 30 10 JEEE CCOC(=O)c1cnn(CCC#N)c1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 1126995102 BLSNETRVKLRDNI-INIZCTEOSA-N 459.528 2.013 30 10 JEEE C=CCn1c(SCC(=O)N2CCC[C@@H](O)[C@@H]2C(=O)OC)nnc1-c1ccc(Cl)cc1 1138246422 QOAFGQUXZGRHEU-NVXWUHKLSA-N 450.948 2.402 30 10 JEEE CCOC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1 1201249282 BKGXDBQCNLDKIH-HNAYVOBHSA-N 451.483 2.320 30 10 JEEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H](c1cccc(C)c1)N1CCOCC1 1286382550 SJWCLULMYJSMDH-ZRBLBEILSA-N 453.587 2.453 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H](c1ccc(CC)cc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1286389844 ROTOONOISDQJDS-FYYLOGMGSA-N 493.637 2.227 30 10 JEEE C=C(C)Cn1c(N2CCN(c3ccc(C(N)=O)cc3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1286598755 BMRRDXYPLQETMF-XMMPIXPASA-N 454.575 2.320 30 10 JEEE C=C(C)COCCn1c(-c2cccc(C#N)c2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1286603998 MJFZHQRAJQBVSP-UHFFFAOYSA-N 458.588 2.270 30 10 JEEE C=CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(NC(=O)COC)CC1 1286699659 GPMUMBREWDYXRX-LJQANCHMSA-N 492.621 2.284 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1)C(C)C 1286751002 KUNQRLHOHKQQED-HKBOAZHASA-N 468.606 2.312 30 10 JEEE C=CCNC(=O)Cn1c(N(C)C2CCN(C(=O)OC(C)(C)C)CC2)nnc1[C@@]1(OCC)CCOC1 1286793342 WQRJCUDSXIGUET-XMMPIXPASA-N 492.621 2.068 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1286819362 HYGAHZVVBRLEPO-SFHVURJKSA-N 474.631 2.380 30 10 JEEE CCC[C@@](C)(O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(c2ccccc2C#N)CC1 1293816021 BBOUANFLCDMZHF-YADARESESA-N 451.575 2.369 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2CC[S@@](=O)CC)c1 1300334097 HVNXMJYIZGPYAB-YTTGMZPUSA-N 450.568 2.089 30 10 JEEE C#CCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1300391527 PROXWENDWITKHO-UHFFFAOYSA-N 486.523 2.231 30 10 JEEE C#CCN(C)c1nnc(-c2ccc(OC)c(OC)c2)n1CC1(N2CCOCC2)CC(OCC)C1 1300449348 QVFWMWNCTURFCH-UHFFFAOYSA-N 469.586 2.302 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCCc1c[nH]c2ccccc12)[C@H]1CCS(=O)(=O)C1 1300478724 ANAJYFUYXWZKDT-IBGZPJMESA-N 482.610 2.157 30 10 JEEE C#CCN(c1nnc([C@@H](CC)c2ccccc2)n1CCc1n[nH]c(C)n1)[C@H]1CCS(=O)(=O)C1 1300482805 HHLLSKDGKQOGGP-PMACEKPBSA-N 467.599 2.116 30 10 JEEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1CCNc1nccc(C(F)(F)F)n1 1300545442 PGNHXCNIOAXPKJ-UHFFFAOYSA-N 457.464 2.133 30 10 JEEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2Cc2nccn2C(F)F)CC1 1300705581 AHGPKUSGNHZIMW-UHFFFAOYSA-N 455.513 2.467 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCO[C@@H]2CCOC2)CC1 1300732009 JTLQOMTVMUORKG-YPAWHYETSA-N 487.645 2.358 30 10 JEEE C#CCSCCn1c(Cc2ccsc2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1300767401 WMHSAEZBCKIYGT-UHFFFAOYSA-N 453.659 2.062 30 10 JEEE C=C(C)COCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(N(C)C(C)=O)CC1 1300988600 HLSFCCXXJZEIFS-UHFFFAOYSA-N 482.633 2.492 30 10 JEEE C=CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1301216640 OHQJTICMNJQSMR-UHFFFAOYSA-N 471.587 2.420 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1301477919 FUUJXGAGRXEWLZ-QZTJIDSGSA-N 472.977 2.027 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CC[C@](O)(Cc2cccc(Cl)c2)C1 1301490878 HJLYSNIMFKNLRU-QHCPKHFHSA-N 452.946 2.480 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN([C@@H](C)c2nc(C(C)C)no2)CC1 1301569501 XRYVHLGYNATPNJ-KRWDZBQOSA-N 465.624 2.392 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1301577359 IMEVYNWRDPVJQO-UHFFFAOYSA-N 490.605 2.411 30 10 JEEE N#CCCN(CC1CC1)c1nnc(-c2nnc(O)c3ccccc23)n1CC(=O)NCC(F)F 1303013561 FFZCUPYYXPYBPH-UHFFFAOYSA-N 456.457 2.105 30 10 JEEE CC(C)CCN(CCC#N)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1COCCO1 1303065568 GJFVNMHWJLCFSR-GOSISDBHSA-N 465.558 2.374 30 10 JEEE C=CC[S@](=O)(=NC(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2)c1ccccc1 1304737622 PLLBAYINKNLRBP-GDLZYMKVSA-N 450.538 2.366 30 10 JEEE CC(=O)C1=C(C)/C(=C(O)/C(=C(/S)NCCN2CCOCC2)[n+]2cc(O)ccc2C)N=C1C 1324257316 KSNCHHKWGFOUDW-UHFFFAOYSA-O 459.592 2.115 30 10 JEEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)Cc2cccc(OC)c2)CC1 1358915626 KNONOOSTELFWKY-UHFFFAOYSA-N 478.597 2.104 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Br)n1C[C@@H](F)COC)[C@H]1CCS(=O)(=O)C1 1358959898 RPYSJFYQDDKCTJ-CABCVRRESA-N 485.379 2.319 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1CCCc1cccc(C)n1)[C@H]1CCS(=O)(=O)C1 1358960556 HESRVFGCOAYKJZ-NRFANRHFSA-N 450.568 2.303 30 10 JEEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1C[C@@H]1CCN(CC)C1)[C@H]1CCS(=O)(=O)C1 1358967990 WZTRAQXLUZZWBU-QUCCMNQESA-N 492.045 2.479 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C2CC2)n1 1359028477 UBFYDKXHHQQVTF-HXUWFJFHSA-N 485.589 2.404 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(F)ccc3Br)n2CCCS(C)(=O)=O)CC1 1359030756 DTUNIGAQIFSURG-UHFFFAOYSA-N 484.395 2.037 30 10 JEEE C=C(Br)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC(C)(OC)C1 1359081411 AIFFHJCWNSJDLW-UHFFFAOYSA-N 455.382 2.372 30 10 JEEE C=CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(C(=O)COC)CC1 1359208083 FLCPDPCJTJHMHK-UHFFFAOYSA-N 460.966 2.123 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(O)CCC[C@@H]1C 1359259338 SPYFNKDGSCAOIJ-ZCVJKFOLSA-N 489.642 2.355 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1359293508 RQLPVQJLGSNEFN-QGZVFWFLSA-N 489.418 2.168 30 10 JEEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCC(Oc2c(OC)cccc2OC)CC1 1359327777 KKEBHUGYHWDCMK-UHFFFAOYSA-N 450.561 2.252 30 10 JEEE C#CCNC(=O)C1CCN(C(=O)Nc2ccc(NS(=O)(=O)Cc3ccccc3)cn2)CC1 1466430233 XAZQTYRDZVFUEM-UHFFFAOYSA-N 455.540 2.017 30 10 JEEE CNC(=O)C(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1503694922 FPLRVVDPXCFTGV-UHFFFAOYSA-N 462.558 2.370 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(Cc2csc(C)n2)n1CC(=O)N1CCN(c2ccccc2)CC1 1507537278 KUMUIHZWEJTPQH-GOSISDBHSA-N 463.611 2.441 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CC(=O)N(C)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 1507630417 YNROMQNWVIRPSP-QFIPXVFZSA-N 494.621 2.235 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@]2(C)CN(C)C2=O)CC1 1507736899 UVNCRQZQCOJQIW-GKVSMKOHSA-N 482.560 2.001 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCCO2)nnc1N1CCC(C(=O)NCCOC)CC1 1507798071 MZFFAJAGTBALTR-HKBOAZHASA-N 461.607 2.480 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCN2C[C@@H](C)C[C@H](C)C2)CC1 1507901969 HAQOXMXTQNNFTM-ONTIZHBOSA-N 494.706 2.381 30 10 JEEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1507910263 LLKXFQFNPHXARP-OALUTQOASA-N 460.623 2.484 30 10 JEEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1CCN(CCN(C)C)CC1 1507979129 ZOLVNVQFQWTEHJ-UHFFFAOYSA-N 464.618 2.088 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(OCc2ccccc2)CC1 1508139776 DPPCCHGKNSEYOG-HXUWFJFHSA-N 473.599 2.016 30 10 JEEE CC(C)(C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N2CCNC2=O)CC1 1508625099 GORAPFBNNPETMY-UHFFFAOYSA-N 464.574 2.116 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccc(C)n3)n2C[C@]2(O)CCO[C@H]2C)c1 1539039526 DCKFXWACJUMSLI-AVRWGWEMSA-N 460.538 2.245 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2C[C@H](C)O[C@H](C)C2)c1 1539042158 CMQIXSDJMPMRRT-NZGUISNBSA-N 464.570 2.489 30 10 JEEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1539078878 HHIHLDYCENLMCM-XMMPIXPASA-N 474.613 2.292 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1ccnc(C(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 1539224851 JAXCLBCMYVICEU-GOSISDBHSA-N 490.511 2.353 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1C[C@H](C1CC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1539229424 CQODAPVYVPBZCN-FYYLOGMGSA-N 485.654 2.441 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccccc2OC(F)F)CC1 1539429980 FMTGQFKYXGNGDR-QHCPKHFHSA-N 461.513 2.335 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CC2C[C@@H](C)O[C@H](C)C2)CC1 1539459563 JZWSWFDHMLRRPG-QZTJIDSGSA-N 456.616 2.228 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3CC)n2C[C@H](C)N2CCOCC2)CC1 1539488510 LDZGBJONSBTEME-NRFANRHFSA-N 494.640 2.106 30 10 JEEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1539721825 IDUAQPNAUUHGGK-JFYQVNSESA-N 474.650 2.205 30 10 JEEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(F)cc1F 1539750815 CSJPNKLXNMFUFU-LJQANCHMSA-N 485.557 2.118 30 10 JEEE C=CC1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2cccc(S(=O)(=O)NC)c2)CC1 1539898550 VJVRJOKRRJQVQK-UHFFFAOYSA-N 469.615 2.499 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)NCc1ccco1 1540125820 AECVZUCZJSVBPB-IBGZPJMESA-N 469.567 2.282 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H]2CCC(=O)N2)C1 1540897055 ZHROHPFNPLYFKR-BDXSIMOUSA-N 460.579 2.109 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 1540901205 WMKVDIKCZVFUHB-IAGOWNOFSA-N 478.619 2.234 30 10 JEEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC=C(C(F)(F)F)CC1 1540917250 QSGHKXCLMWFJDU-OAHLLOKOSA-N 481.566 2.229 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCCc1ccc(OCCN2CCN(C(C)=O)CC2)cc1 1563911267 YZXHMOYBIZCFIP-UPVQGACJSA-N 458.603 2.052 30 10 JEEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCN(C)C[C@H]3CNC(=O)OC(C)(C)C)n[nH]2)c1C 1566274173 FEWUTTJMLQELNM-QGZVFWFLSA-N 457.579 2.357 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CC1(COC)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1588059423 NYEYRCGMROYBDV-OAQYLSRUSA-N 490.601 2.078 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CCN1CCCC[C@H]1CC)[C@H]1CCS(=O)(=O)C1 1588064886 QODHRXUNJGAZAK-YADHBBJMSA-N 470.643 2.155 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1CC1CCN(C(C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1588068941 CLQQNBIWHBDYRR-JOCHJYFZSA-N 499.637 2.051 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CN(CC(C)C)CCO1 1588218825 DPVVAIQVZCZGHN-NRFANRHFSA-N 487.608 2.012 30 10 JEEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(=O)N(C)C1CCCCC1 1588309730 BLKNWTOUVKQXFN-UHFFFAOYSA-N 471.631 2.489 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC=CO1 1588550110 IEXKSJJRBRDRGZ-RTWAWAEBSA-N 489.573 2.083 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@H]2CC(=O)N(CCOC)C2)CC1 1588769781 YEUHJLNCIGNEQH-NRFANRHFSA-N 478.641 2.493 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2Cc2cccnc2OCC(F)F)CC1 1588929478 AQPHLFGFNDEOQV-IBGZPJMESA-N 488.539 2.225 30 10 JEEE C=C(C)COCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@](C)(C(=O)NC)C1 1593747401 VRSPLRGIIPXZEJ-MHECFPHRSA-N 492.621 2.142 30 10 JEEE C=C1CCC(CNC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CC1 1595110960 IIBGJCUWUYKGRW-UHFFFAOYSA-N 451.564 2.301 30 10 JEEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(OC)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1595250905 LVKVCGPMDFMXDV-QHCPKHFHSA-N 472.567 2.331 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1595477714 XXQRFVRMNKJIOU-WOJBJXKFSA-N 485.608 2.076 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1595760434 MQODJZHNCLAHSA-PCCBWWKXSA-N 494.706 2.019 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1595777984 UIORMNSPHAPENS-HZPDHXFCSA-N 452.920 2.313 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C2CC2)C1 1595789675 ZNHOWSIKBSVFEW-ZWKOTPCHSA-N 465.620 2.496 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@H](Cn2cccn2)C1 1595805427 OVEDCCRDYOGGRP-FQEVSTJZSA-N 491.017 2.225 30 10 JEEE CCOc1ccc(-c2nnc(N(C)[C@H](C)CC#N)n2C[C@H]2CCN(S(C)(=O)=O)C2)cc1OC 1616330528 ARRJRUYBXHVLHC-SJORKVTESA-N 476.603 2.372 30 10 JEEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2Cc2nccn2C(F)F)c1 1617705535 BCQYRJNUCQVUQB-FQEVSTJZSA-N 494.503 2.277 30 10 JEEE Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3c(C)cc(F)cc3C#N)CC2)cc1C 1666305641 ICATUDJGDXHASW-UHFFFAOYSA-N 451.545 2.318 30 10 JEEE C#CCN(C(=O)NC[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1682712653 LSNQQTCEHLNRKH-SIKLNZKXSA-N 451.548 2.216 30 10 JEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ncnn1C(C)(C)C 1689966599 WQRSRCBPFIGBIT-MRXNPFEDSA-N 458.567 2.051 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1cccc(NC(=O)OC)c1)[C@@H]1CCS(=O)(=O)C1 1689990888 SVMMQTDMJXMXLK-UYAOXDASSA-N 487.582 2.025 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CCC1(COC)CCCC1)[C@@H]1CCS(=O)(=O)C1 1689993332 AZNVSZXRMNKNBB-OAQYLSRUSA-N 471.627 2.488 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CCN(C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1689995795 ADZJGVLWSZOQSU-HXUWFJFHSA-N 459.616 2.132 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1Cc1cnn(CC)c1)[C@@H]1CCS(=O)(=O)C1 1689996233 FOYBGOIMMRWUCT-HXUWFJFHSA-N 468.583 2.057 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(F)cc1Cl 1690077650 SZQNBBQYNQLHAD-SFHVURJKSA-N 469.970 2.106 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(OC)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1690252141 AHAXNVLJJGHGDE-APTRMMRNSA-N 485.585 2.188 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1csc(CC)n1 1690264730 BFRVFLJNYGJDCN-QGZVFWFLSA-N 468.649 2.275 30 10 JEEE C=C(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1690284667 QDSAMPCHQRYSCH-MSOLQXFVSA-N 489.646 2.182 30 10 JEEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1690299505 UXZUTKIDGQTJSP-UHFFFAOYSA-N 458.563 2.181 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](CNC(C)=O)C1 1690683853 XVJNLQBSRHXWMB-LEWJYISDSA-N 455.559 2.127 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCS(=O)(=O)C(C)(C)C)C1 1690712656 ZXOPPSPLDNIZGG-GOSISDBHSA-N 450.609 2.134 30 10 JEEE CNS(=O)(=O)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@@](C)(C#N)C1 1697022008 BHWDUJLHUSDTPU-IBGZPJMESA-N 452.968 2.286 30 10 JEEE C#CCCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CC(=O)N1CCOCC1 1705515633 JDLMTTRYUQNDKI-FQEVSTJZSA-N 488.633 2.491 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc(OC)c(O)c1 1705595309 NRCJQXRRHAVWDA-UHFFFAOYSA-N 478.578 2.464 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1cccnc1OCC 1705626691 FWFLONQGUQHMGH-UHFFFAOYSA-N 473.537 2.120 30 10 JEEE C#CCN1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2C[C@](C)(O)[C@@H](C)CC)CC1 1705638771 WHOMVWRCWQBLNA-SIBVEZHUSA-N 477.613 2.227 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CC[S@@](=O)C(C)(C)C)CC1 1705640202 IOVQKUBTVQMGBT-QTYPKTMWSA-N 457.600 2.093 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCN2CC=CCC2)CC1 1705645691 ALQNDKBEZIRJFY-UHFFFAOYSA-N 478.597 2.190 30 10 JEEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1705654344 FHONSLMRBALTCO-FQEVSTJZSA-N 461.569 2.235 30 10 JEEE C=CCCOCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1705827293 ZWNPHCAFELKUFR-XXBNENTESA-N 497.600 2.435 30 10 JEEE CC[C@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCN1CCN(C)C(C)(C)C1 1708531647 FPXAHJOHKFHHMW-VQTJNVASSA-N 480.665 2.194 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H](c1cccc(OC)c1)N(C)C 1708756357 ARATXAMLCQBMKU-NHCUHLMSSA-N 469.590 2.237 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(c2ccccc2C)CCOCC1 1722275835 GLFGDLWSZMJNPT-MOPGFXCFSA-N 459.616 2.403 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCS(=O)(=O)NC(C)C 1722297384 ZNJCPWBXOMYJLQ-KRWDZBQOSA-N 482.651 2.178 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCCC2)CC1 1722450309 CTQPFYNNZIWOHJ-UHFFFAOYSA-N 475.597 2.180 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1722508950 VCQZJJUILNJEJY-ZMMAXQRCSA-N 460.579 2.314 30 10 JEEE C=C(Cl)Cn1c(CC(C)C)nnc1N1C[C@@H]2[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1722552512 QVUZQSWTAOQKFG-OWCLPIDISA-N 474.027 2.356 30 10 JEEE C=C1CCN(c2nnc(C(=O)NC(CC)CC)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC1 1722559377 UKULTKKABCJWRE-HXUWFJFHSA-N 459.639 2.296 30 10 JEEE C=CCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1722682843 MVYVTSWOTQBAGZ-QFBILLFUSA-N 454.531 2.476 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(c2ccccn2)CC1 1722693638 VOXXDXBUTKYKSD-UHFFFAOYSA-N 471.363 2.060 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC(CN(C)Cc2ccccc2)CC1 1722699116 RPBUTNHBDGTFFE-JOCHJYFZSA-N 452.603 2.433 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(CC2CCOCC2)CC1 1722705180 BTXUBGPRUJMVNI-UHFFFAOYSA-N 482.629 2.325 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1722729673 TUYYWHMVRAFHIV-MRXNPFEDSA-N 493.580 2.243 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@H]1CC 1722750796 OREVSLOJLWGLKY-GOSISDBHSA-N 481.644 2.175 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCc1cccc(F)c1 1723616053 DYEUNFFOEKNJCZ-KRWDZBQOSA-N 477.548 2.175 30 10 JEEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1Cc1ccc(NC(=O)N(C)C)cc1 1726403579 HRMGOEIYVKVPGL-MRXNPFEDSA-N 460.546 2.105 30 10 JEEE CC[C@H](C)[C@@](C)(O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@](F)(C#N)C1 1726829685 GYYDAHCQNDMBGX-JHVJFLLYSA-N 463.583 2.477 30 10 JEEE CCS(=O)(=O)NCCn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@@](F)(C#N)C1 1729220922 GSSINUCIBFLEHZ-QGZVFWFLSA-N 489.346 2.228 30 10 JEEE CNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1729608115 ATWBHNCGQHPLLA-LJQANCHMSA-N 497.600 2.319 30 10 JEEE CNS(=O)(=O)CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@](F)(C#N)C1 1729745736 DTXKYYCNDHBCFA-NRFANRHFSA-N 464.567 2.146 30 10 JEEE COc1cc(OC)cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCNC(=O)c2cccs2)c1 1730022587 GNUDKBIOFWLDIT-SFHVURJKSA-N 468.539 2.183 30 10 JEEE CSC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)Cc2ccc(C#N)cc2)CCOCC1 1731055300 BNZQZNQVUIOABQ-MRXNPFEDSA-N 478.644 2.309 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2CCC(=O)N2CCCCC2)c1 1740564111 AZFAOTLQYDRWDT-HXUWFJFHSA-N 464.570 2.241 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2CCCN2CCCCC2)c1 1740565022 GVEXQIVSUURVGA-UHFFFAOYSA-N 477.613 2.333 30 10 JEEE C#CCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1740598750 BXNRTQGQLYPHCD-PZJWPPBQSA-N 484.626 2.421 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2Cl)n1CC(=O)NCC=C)[C@@H]1CCS(=O)(=O)C1 1740618969 FAERLMQDQWHFTR-OAHLLOKOSA-N 482.393 2.181 30 10 JEEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cccc(CN2CCO[C@H](C)C2)c1 1740631519 JZBBKFXQJSKIKE-AJTFRIOCSA-N 477.609 2.272 30 10 JEEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1740665754 OUMSVLPYXHBRHK-IBGZPJMESA-N 489.506 2.034 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2CC[C@H](N2CCOCC2)C(F)(F)F)CC1 1740691713 BOLAAFXRHVKURD-NRFANRHFSA-N 492.546 2.362 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cc(-c3ccccc3)no2)C1 1740972635 KSSVNNGFDKIPIM-AEFFLSMTSA-N 472.571 2.373 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C)N(C)Cc2ccccc2)C1 1740979332 CXPXTLYUCYDMEK-CEMLEFRQSA-N 473.643 2.482 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1740988846 RHAXAYLWXHUUGJ-CXAGYDPISA-N 488.488 2.431 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N(C)CC(=O)Nc1cccc(C)c1C 1740991553 YXOJLBSVXSRJBJ-IBGZPJMESA-N 475.615 2.465 30 10 JEEE CO[C@@H](C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1748379053 BGDPJLGSPGMXFV-KBPBESRZSA-N 486.378 2.447 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCCc1cnn(C)n1 1748665429 QNRZMXMMRMWQCM-KRWDZBQOSA-N 459.558 2.455 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H](C)c1ccc(OC)cc1 1748672169 QVORXHRSBMCZMQ-LVCYWYKZSA-N 475.615 2.271 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1748802066 KOWUDQWDGHAECN-SFTDATJTSA-N 485.610 2.343 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1C[C@@H](C)N1CCN(c2ccccc2)CC1)[C@H]1CCS(=O)(=O)C1 1748817161 GAGHHDHXHBJHPJ-VWNXMTODSA-N 498.697 2.314 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1CCN(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1748823907 FKRROYVETRNKHK-NRFANRHFSA-N 473.643 2.441 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CC1(N(C)C)CCOCC1 1748944786 FIWYZWWFRFIAJK-FQEVSTJZSA-N 454.550 2.119 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1749129480 DVEGVJAIACCBJS-DYXWJJEUSA-N 481.663 2.452 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCN(CCOC)[C@H](C)C2)nnc1[C@]1(OC(C)C)CCOC1 1749141308 YNOVCENNZAOQMQ-APDHKMKFSA-N 477.650 2.457 30 10 JEEE C=C1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CC(=O)NCC(F)F)CC1 1749299063 XQVRQHAYOKRJNO-UHFFFAOYSA-N 457.485 2.213 30 10 JEEE C=CC[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCC(NS(C)(=O)=O)CC1)c1ccccc1 1749385143 NTEKWDSQLPFGJP-FQEVSTJZSA-N 486.642 2.278 30 10 JEEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCN(Cc2cscn2)CC1 1749677150 PRBXMUXNGMBWPO-UHFFFAOYSA-N 451.600 2.144 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCN(C2CCOCC2)CC1 1749677483 AGOUGIDOJNCYDP-UHFFFAOYSA-N 468.602 2.077 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1749729775 RURJKUKNAJFNBG-SFHVURJKSA-N 477.606 2.375 30 10 JEEE C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1coc(-c2ccccc2)n1 1751095762 GPQDAKFFYHQBGJ-VQIMIIECSA-N 485.570 2.053 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1cc(COC(C)(C)C)on1)[C@@H]1CCS(=O)(=O)C1 1760185324 VHLBMGOGDKZOHJ-GOSISDBHSA-N 484.582 2.318 30 10 JEEE C#CCN(c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@](C)(O)CCOC)[C@H]1CCS(=O)(=O)C1 1760190463 WQACCRUPHTVWOA-CYFREDJKSA-N 499.593 2.014 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H](OC)C(C)(C)C 1760196654 KRNPASYPFLBYSC-FQEVSTJZSA-N 457.600 2.329 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H](C(C)C)N1CCOCC1 1760202296 ZFISAUHFPKXSME-HSZRJFAPSA-N 487.608 2.105 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCN1CC 1760240290 MVYOGDDFJLDCPK-PXNSSMCTSA-N 462.595 2.152 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1CCC1(O)CCOCC1 1760243712 QKNLYACDYGAWPU-UHFFFAOYSA-N 455.534 2.111 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1760263818 PYKFZYFHGIDLDV-YADHBBJMSA-N 499.660 2.364 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2ccccc2C(F)(F)F)CC1 1760268962 SOPOIZYXEFWKCV-IBGZPJMESA-N 488.514 2.457 30 10 JEEE C=C(Br)Cn1c(Cc2ccsc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1760311479 QWXRADKKCLULBL-UHFFFAOYSA-N 481.420 2.413 30 10 JEEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OCc2ccccc2)CC1 1760346325 SLNIAECYZYUZDP-IBGZPJMESA-N 459.572 2.215 30 10 JEEE C=CCCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(CC(=O)NCC)CC1 1760428202 QXTIUSQDQLETQT-NRFANRHFSA-N 454.575 2.405 30 10 JEEE C=CCOc1ccccc1Cn1c(CN2CCCC2=O)nnc1N1CCN(C(C)=O)C[C@@H]1C 1760533216 CITCUSSIHALIQQ-SFHVURJKSA-N 452.559 2.071 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CCOc2ccc(S(C)(=O)=O)cc2)C1 1760541515 DEEURIHMXWECKT-QUCCMNQESA-N 476.599 2.436 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@@H](C(N)=O)C1 1760551537 JHILDMIDZXRAHL-OAHLLOKOSA-N 482.404 2.010 30 10 JEEE CC(=O)N[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCn2ccnc2C)C1 1760643918 HFQOZJMPNTVIAZ-NRFANRHFSA-N 462.558 2.429 30 10 JEEE CCC[C@H](C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1765470453 BFCZBYBTEHVJKR-FXAWDEMLSA-N 472.615 2.383 30 10 JEEE COc1cc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCO)cc(Br)c1O 1862604743 XCWCGELCMMQNEB-MRXNPFEDSA-N 464.268 2.440 30 10 JEEE N#Cc1ccc(NC2=C(c3ccccc3[N+](=O)[O-])C(=O)N(CCCN3CCOCC3)C2=O)cc1 1863238727 QAHRFDYXPREDSJ-UHFFFAOYSA-N 461.478 2.381 30 10 JEEE COCCN(CCOC)C(=O)[C@H](NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(C)C 1868782223 FKUHOQCPODFEQC-TZIWHRDSSA-N 464.632 2.287 30 10 JEEE COc1ccc(C(=O)Nc2c(C#N)nnn2-c2ccc(N3CCN(C)CC3)cc2)cc1[N+](=O)[O-] 1870160361 NOCXZQUXWYZHLJ-UHFFFAOYSA-N 462.470 2.060 30 10 JEEE NC(=O)CSc1nnc([C@H]2CC(=O)N(Cc3ccccc3)C2)n1/N=C/c1ccc2c(c1)OCCO2 1874210454 UPWXXAYMCSOHHI-XIMCHAMWSA-N 492.561 2.025 30 10 JEEE CC(C)N1C(=O)CS[C@H](C(=O)N2CCN(c3ccnnc3)CC2)[C@H]1c1ccc(C#N)cc1 1890277044 DFLMGWCYRJPUTI-YADHBBJMSA-N 450.568 2.091 30 10 JEEE CN(C)CC#C[C@H]1CCCN1C(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc(C(F)(F)F)c1 1890984196 HQWJRJPGHKWPIE-HKUYNNGSSA-N 457.518 2.415 30 10 JEEE C#CCO[C@@H]1CCN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc(Br)cc2)C1 1891738002 LNMFDMXOWFRKCA-AEFFLSMTSA-N 455.374 2.243 30 10 JEEE C[C@@H](C(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1)N1CCN(C(=O)OC(C)(C)C)CC1=O 2180986455 CECQWYISEKABJV-INIZCTEOSA-N 463.384 2.244 30 10 JEEE CC1(C)OB(c2ccc(S(=O)(=O)N3CC(NC(=O)OCc4ccccc4)C3)s2)OC1(C)C 2243411971 DGPSUCCKVKJVCK-UHFFFAOYSA-N 478.401 2.347 30 10 JEEE CC(C)(C)OC(=O)N1[C@H](COc2cccc(B3OC(C)(C)C(C)(C)O3)n2)CCS1(=O)=O 2255340268 AKMLAYFWWTYZJO-AWEZNQCLSA-N 454.354 2.099 30 10 JEEE CC(C)(C)OC(=O)N[C@]1(CNC(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)CCOC1 2255808228 GRPULIQDXINUOM-NRFANRHFSA-N 452.382 2.461 30 10 JEEE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2256616093 ZLSACZWDFWWFJM-CHWSQXEVSA-N 452.386 2.091 30 10 JEEE Cc1cc(CNC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)O)sc1B1OC(C)(C)C(C)(C)O1 2256620978 OWQONERSJMXTAR-HIFRSBDPSA-N 454.398 2.246 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)[C@H]2C[C@H](B3OC(C)(C)C(C)(C)O3)C2)[C@@H](S(C)(=O)=O)C1 2267122747 OGFAEHUSWGDGJH-VGWMRTNUSA-N 472.413 2.008 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C(C)C 2267128436 QUZKSPHEURSKNF-INIZCTEOSA-N 450.389 2.481 30 10 JEEE CCc1nn(C)c(C(=O)N2CCN(C(=O)OCc3ccccc3)CC2)c1B1OC(C)(C)C(C)(C)O1 2267135774 GESKSSHOEZGDPK-UHFFFAOYSA-N 482.390 2.376 30 10 JEEE Cc1nn(C)c(C(=O)NCCN(C(=O)OC(C)(C)C)C(C)C)c1B1OC(C)(C)C(C)(C)O1 2267144609 AACYRJLNLWHWAY-UHFFFAOYSA-N 450.389 2.403 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](CNC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)CO1 2267167496 GWANYMDBUYTEAO-ZIAGYGMSSA-N 467.397 2.102 30 10 JEEE C[C@@H](c1nscc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C 2268711403 NHUPZKJLGKPMRV-DZGCQCFKSA-N 469.413 2.237 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCO[C@H](C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)C1 2268714767 LSLNSHKQCOQOHW-ZFWWWQNUSA-N 467.397 2.131 30 10 JEEE COCC(CNC(=O)OC(C)(C)C)(COC)Oc1nccc(B2OC(C)(C)C(C)(C)O2)c1F 2280711261 RNMGUZYOYXRQDH-UHFFFAOYSA-N 470.347 2.455 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2CC(CN3CCN(C(=O)OC(C)(C)C)CC3)C2)C1 2281222444 DCGGTTBCLFMQDS-UHFFFAOYSA-N 476.618 2.304 30 10 JEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](CNc2cccc(B3OC(C)(C)C(C)(C)O3)n2)[C@H]1OC 2281493237 OWLYOXXLOIUWFU-GPMSIDNRSA-N 463.384 2.442 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@@H]1CNC(=O)c1c(F)cccc1B1OC(C)(C)C(C)(C)O1 2281763943 VONLWNIRYSTZAW-HNNXBMFYSA-N 464.343 2.491 30 10 JEEE CCN(C(=O)OC(C)(C)C)[C@H]1CCN(C(=O)c2nn(C)c(B3OC(C)(C)C(C)(C)O3)c2C)C1 2281805118 UIFKQHVKFBIFKE-INIZCTEOSA-N 462.400 2.499 30 10 JEEE Cn1ncc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC3(CC3)C2)c1B1OC(C)(C)C(C)(C)O1 2281816605 ZDVULYRQUHQOIE-HNNXBMFYSA-N 460.384 2.239 30 10 JEEE Cn1cc(C(=O)N2CC([C@H]3CCN(C(=O)OC(C)(C)C)C3)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2281963788 PIZKVCJCULEWGH-HNNXBMFYSA-N 460.384 2.048 30 10 JEEE Cc1c(C(=O)N2C[C@@H](F)C[C@H]2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281983313 SVEZUXHZWZOGTR-GJZGRUSLSA-N 466.363 2.105 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2[C@H]3CC[C@H]2CN(C(=O)OC(C)(C)C)C3)n1 2281994198 MCBPFMKDOWDDHP-HOTGVXAUSA-N 460.384 2.426 30 10 JEEE CC1(C)OB(c2scnc2C(=O)N2CC[C@](CNC(=O)C(F)(F)F)(C3CC3)C2)OC1(C)C 2282014301 PDXRNBSXLFRSIX-LJQANCHMSA-N 473.326 2.363 30 10 JEEE CC(C)(C)OC(=O)N1[C@H](CNC(=O)c2occc2B2OC(C)(C)C(C)(C)O2)C[C@H]2OCC[C@H]21 2282036318 HNSUPXKJHUWVCZ-USXIJHARSA-N 462.352 2.476 30 10 JEEE C[C@H]1C[C@@H](NC(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)CCN(C(=O)OC(C)(C)C)C1 2282052645 PGPQPNMKYAAMGG-HOTGVXAUSA-N 462.400 2.485 30 10 JEEE Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H](NC(=O)OC(C)(C)C)C[C@@H](O)C1 2282127946 DZDVHYMESPEZCQ-DLBZAZTESA-N 460.380 2.394 30 10 JEEE Cc1nc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H](CCO)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2282526287 QUSQQIAECBJFCU-HNNXBMFYSA-N 481.424 2.195 30 10 JEEE Cn1ncc(C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)CC23CC3)c1B1OC(C)(C)C(C)(C)O1 2282565507 LFGYPMBGZMSTFQ-OAHLLOKOSA-N 460.384 2.381 30 10 JEEE C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)CCN1C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2282568866 JHDFLOZITVWPGN-HOTGVXAUSA-N 462.400 2.485 30 10 JEEE CN(C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1)[C@@]1(CNC(=O)OC(C)(C)C)CCOC1 2282685782 KEBIPUDCPDPSJB-HSZRJFAPSA-N 461.368 2.137 30 10 JEEE C[C@H]1CN(Cc2ccccc2)C[C@@]1(C)CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282691002 CTGKLVTVNMRWLN-BXKMTCNYSA-N 453.396 2.002 30 10 JEEE Cc1cc(C(=O)N[C@@H](C)C2(O)CN(C(=O)OC(C)(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2282701577 YNPZFXNUKLOANQ-INIZCTEOSA-N 460.380 2.394 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CN(C(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)CCO1 2337395715 DCRRXEPISJHTHE-ZFWWWQNUSA-N 467.397 2.197 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(C)[C@@H](C)C2CN(C(=O)OC(C)(C)C)C2)n1C 2362566225 FVBIBXLNSWFAED-AWEZNQCLSA-N 462.400 2.355 30 10 JEEE CC1(C)OB(c2sncc2C(=O)N2CC[C@@](CNC(=O)C(F)(F)F)(C3CC3)C2)OC1(C)C 2362567395 CMKJEBICVHIQIH-IBGZPJMESA-N 473.326 2.363 30 10 JEEE N#C[C@H]1C(=O)Nc2nc(N3CCC4(CC3)OCCO4)[nH]c(=O)c2[C@H]1c1cccc(Br)c1 72444300 LZRDCLHRNQPHIM-CABCVRRESA-N 486.326 2.099 30 10 JEEE COC(=O)C1=C(C)N=c2sc(=Cc3ccc(OCC#N)c(OC)c3)c(=O)n2[C@@H]1c1ccccc1 254736113 DOHRFZHTJLRZQS-JOCHJYFZSA-N 475.526 2.319 30 10 JEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)cc(Cl)c2OC)c(=O)n1C[C@H]1CCCO1 521502206 XNWDYZVTJPDDLL-OAHLLOKOSA-N 494.400 2.209 30 10 JEEE C#CCNC(=O)C1CCN(C(=O)Nc2cnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2)CC1 1216521482 ZZLAODCYYQUVRI-UHFFFAOYSA-N 458.563 2.448 30 10 JEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 1286343594 XBTPZUYCFAQSCM-IAGOWNOFSA-N 468.624 2.043 30 10 JEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(c2ccc(OC)cc2)CC1 1286349278 HAOCEDIRSVBRKP-IBGZPJMESA-N 457.600 2.319 30 10 JEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCOc1ncccc1Cl 1286408377 FRJIGFDNTOXHDR-UHFFFAOYSA-N 483.985 2.438 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2Cc2ccc(F)cn2)CC1 1286470039 QZBPJOPPPQHDBI-UHFFFAOYSA-N 467.936 2.199 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2CCc2ccncc2)CC1 1286473615 VAXBYWXJBNPWTP-UHFFFAOYSA-N 454.376 2.439 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[C@H](OCC)C2CCCC2)CC1 1286490440 KXQZOFXWPKWBET-RTWAWAEBSA-N 470.618 2.180 30 10 JEEE C#CCSCCn1c(N(C)[C@@H]2CCCN(c3cccnn3)C2)nnc1[C@]1(OCC)CCOC1 1286510572 XEVYZRGNZQRDCL-XXBNENTESA-N 471.631 2.192 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1286587883 SKDPDWVSQWORHQ-UHFFFAOYSA-N 481.644 2.175 30 10 JEEE C=C(C)Cn1c(-c2noc3c2COCC3)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 1286592021 CIASFVVZEBRYQF-AWEZNQCLSA-N 458.544 2.427 30 10 JEEE C=CCCOCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCCN(CCC)C(=O)C1 1286710036 LESLITVGYPYVBM-UHFFFAOYSA-N 479.585 2.233 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1286792637 DOOSMMJLLBUYDU-LJQANCHMSA-N 482.564 2.423 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(NC(C)=O)CC1 1286797434 XNLMBTBMUBWPFI-UHFFFAOYSA-N 452.559 2.232 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1286817110 PRYQZYQVCLUPPM-QGZVFWFLSA-N 476.603 2.387 30 10 JEEE C[C@H](C#N)CN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCCS(=O)(=O)C1 1286959882 BMEBJOZOLGEPQI-CHWSQXEVSA-N 455.382 2.456 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2ccccc2OC)CCC1 1300309975 WCOGHHXLEDOWNC-NQIIRXRSSA-N 487.626 2.199 30 10 JEEE C#CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1300344900 LCUUDZPNLASFHA-AWEZNQCLSA-N 469.409 2.309 30 10 JEEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccccc1OC)N1CCCC1 1300457774 AIVSQLPJEPMFSE-UYAOXDASSA-N 457.600 2.095 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cnn2ccccc12 1300671079 BJCYIONQGCXYAG-OAQYLSRUSA-N 495.584 2.369 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@@](O)(c2ccccc2)C(F)(F)F)CC1 1300727456 YFLDBWUPVOWMFL-FDDCHVKYSA-N 491.514 2.198 30 10 JEEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc2c(c1)OCO2 1301189354 VNQMDJDVPRADJJ-HXUWFJFHSA-N 477.587 2.332 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1301489947 HVBZJQUUAZDKHB-UHFFFAOYSA-N 462.945 2.494 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCC([C@H]2CCOC2)CC1 1301515494 VMVKLVMNSJZTOX-IBGZPJMESA-N 455.559 2.421 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCS[C@@H](C)C2)cc1 1301518879 NGLJHKSOSPXOIU-JKSUJKDBSA-N 451.618 2.443 30 10 JEEE C=CCNC(=O)Cn1c(N2CCO[C@H](c3ccc(F)cc3F)C2)nnc1[C@@]1(OC(C)C)CCOC1 1301520831 QJHDCBHBLDIINP-GBXCKJPGSA-N 491.539 2.477 30 10 JEEE C=CCOc1ccccc1Cn1c(N2CCS(=O)(=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1301536152 RVXHGNIZPVBVNF-QHCPKHFHSA-N 476.599 2.167 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1301576004 OWQPNRLRXWWZOU-QFBILLFUSA-N 460.560 2.127 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN(c2ccc(C)cc2)C(=O)C1 1301578062 RDNCCIFRQFMTJH-UHFFFAOYSA-N 466.567 2.103 30 10 JEEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1301613181 VKTYEAHRAYXMNU-WOJBJXKFSA-N 462.664 2.224 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccc(OC(F)F)c(F)c1 1303835634 CUGWEESKFWGTGF-BBATYDOGSA-N 476.456 2.119 30 10 JEEE C#CCN1CCN(C(=O)CN2CCN(C(=O)OC(C)(C)C)C[C@H]2c2cccc(OC)c2)CC1 1308044108 NKPMWHZOULRMGK-QFIPXVFZSA-N 456.587 2.066 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)Nc3ccccn3)n2CCN2CCC[C@H]2C)c1 1358900555 MWJCHYLYIRVBAE-LJQANCHMSA-N 486.580 2.466 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCCO3)n2C[C@]2(C)COCCO2)c1 1358902626 UQXUDYCZJWZATR-HYBUGGRVSA-N 453.543 2.381 30 10 JEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cnn(Cc3ccccc3)c2)CC1 1359159005 KIZAUNGQHMLJCX-GOSISDBHSA-N 455.588 2.338 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CC(F)(F)CO1 1359255579 DBYXNXHLHZNIRN-MAUKXSAKSA-N 480.541 2.377 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)[C@H](C)CS(C)(=O)=O 1359295244 VOABFEQRBAHWOF-OAHLLOKOSA-N 465.645 2.447 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H]1c1nncn1C 1359327974 POZIYWVXKBYVJP-OAHLLOKOSA-N 495.407 2.107 30 10 JEEE C#C[C@H]1CCCN(CC(=O)NCCN2C(=O)/C(=C\c3ccc4c(c3)OCO4)SC2=S)C1 1473588559 YDKCGMPTXBZZHN-BKQORJHRSA-N 457.577 2.078 30 10 JEEE CCOCc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CC(=O)NCC(F)(F)F 1503095640 HPBUDRZMMWOPSM-UHFFFAOYSA-N 479.507 2.077 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1CCc1nc(C)c(C)s1)[C@@H]1CCS(=O)(=O)C1 1507628647 HUZVBMLCSBWKCL-QGZVFWFLSA-N 456.597 2.283 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H](c1ccco1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1507632634 OOTCRTLPALOEHX-HBFSDRIKSA-N 461.588 2.042 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1ccc(OC)cc1F)[C@H]1CCS(=O)(=O)C1 1507632676 OZYLKXPYBUFRDI-FXAWDEMLSA-N 462.547 2.342 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@H]1C[C@H](C)O[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1507633666 GAEKQNVSVQSJOY-JTJHWIPRSA-N 457.600 2.094 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1ccc(C)cc1OC)[C@H]1CCS(=O)(=O)C1 1507636052 XXYHHJIYRNMREH-NRFANRHFSA-N 465.579 2.256 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCCc2nnc(C)s2)CC1 1507715638 FPHDKCLKIXUCNK-UHFFFAOYSA-N 499.044 2.409 30 10 JEEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](CC(N)=O)C1 1507868439 KEOARDVBRAKHRG-CVEARBPZSA-N 468.986 2.431 30 10 JEEE C=CC1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CCS(=O)(=O)CC)CC1 1507896970 DFAKIPCHDVEDCJ-UHFFFAOYSA-N 480.660 2.384 30 10 JEEE C=CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1508047892 KQZBWVXCAHCWHK-UHFFFAOYSA-N 490.611 2.424 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1508097705 KAIKOVBLFTVHMA-SYYKKAFVSA-N 474.650 2.188 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C)[C@H]1C 1508104285 LMNVWGMPTSHPHY-OPYAIIAOSA-N 475.615 2.459 30 10 JEEE COc1cc(OC)cc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCCN2CCC(O)CC2)c1 1518044875 AQOIKXZYSFYOOZ-QHCPKHFHSA-N 458.538 2.251 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)(C)N1CCc2ccccc2C1 1538974102 QZZSJCLMPHWVIS-ZWKOTPCHSA-N 458.632 2.183 30 10 JEEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1539029367 IBKQFCJIIZNFOC-DOTOQJQBSA-N 484.548 2.381 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC1(O)CCCCC1)[C@H]1CCS(=O)(=O)C1 1539203245 OOZIPGGBLFLXMA-NRFANRHFSA-N 499.637 2.469 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1C[C@@H](c1ccc(F)cc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1539224665 IVBQXTFBLIBXBR-SFTDATJTSA-N 459.591 2.299 30 10 JEEE C#CCSCCn1c(-c2ccccc2F)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1539505012 DVRXFJBEPPEHHD-HXUWFJFHSA-N 456.591 2.193 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@]1(OC)CCOC1 1539656530 WNXYYFHVATVYAW-JOCHJYFZSA-N 463.604 2.403 30 10 JEEE C=C(C)COCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1539728077 CPBTZZIDCCBPAP-NRFANRHFSA-N 498.584 2.322 30 10 JEEE C=CCCCn1c(N2CCN(CC(=O)N3CCCCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1540021267 PATCBQIFMRPUIX-RUZDIDTESA-N 474.650 2.419 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC2(O)CCC2)C1 1540892537 NIDBMQBBKONFCG-QZTJIDSGSA-N 463.579 2.283 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@H](C(C)(C)C)C1 1540900070 KIOPSWNUHBVWTP-SFHVURJKSA-N 470.603 2.394 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC(NC(=O)c2ccsc2)CC1 1540902504 LCBUPWCWHLFGEY-QGZVFWFLSA-N 493.655 2.233 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(F)c(Cl)c1 1540903496 FLPLFKQDLOUTIF-OAHLLOKOSA-N 491.010 2.210 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)c1ccc(F)cc1 1541803177 DNODCMFTGRGNEJ-QFBILLFUSA-N 478.594 2.466 30 10 JEEE C[C@H](CN1CCCC1)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(C#N)cc1 1541872686 BFVVFYFQCALCDI-WIYYLYMNSA-N 456.616 2.420 30 10 JEEE CCOc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCS(=O)(=O)C(C)(C)C)cc1OC 1547957092 HRYDBNQEZHOWPX-KRWDZBQOSA-N 477.587 2.294 30 10 JEEE COCC1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCN(C(C)=O)CC2)CC1 1555284860 CCFLVRLLFPPNDT-UHFFFAOYSA-N 465.602 2.234 30 10 JEEE C#CCn1ccc(CN(CCOC)C(=O)NCc2cccc(S(=O)(=O)C(F)(F)F)c2)n1 1565490661 SEMBTRVTTUAXKH-UHFFFAOYSA-N 458.462 2.168 30 10 JEEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N2C[C@@H](O)[C@@H](CO)C2)c1 1570213271 AJFDOKLTUWTKOF-OXQOHEQNSA-N 450.944 2.147 30 10 JEEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(Nc2cc(OCC)ncn2)CC1 1587759257 RKRNYCMERUAOJB-SFHVURJKSA-N 452.563 2.302 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(Br)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1588193309 ARFKZADKXOZENY-KRWDZBQOSA-N 490.427 2.452 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@]1(O)CCSC1 1588259176 TVFBAAVJZAQDAU-IXFSTUDKSA-N 459.616 2.380 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2CC2CCN(CCN(C)C)CC2)CC1 1588849053 XDOKBZBGUHXHNH-UHFFFAOYSA-N 463.674 2.206 30 10 JEEE C=C(Br)Cn1c(CC2CCCC2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1589434414 GPRBGGZIKKKSLJ-UHFFFAOYSA-N 451.413 2.320 30 10 JEEE C=C(C)COCCn1c(-c2cccnc2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1593729821 NZXRNOZNQRIJGJ-HXUWFJFHSA-N 453.591 2.066 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O)C(C)C 1595170892 MBPKZBQEGCAPOH-RTWAWAEBSA-N 499.660 2.391 30 10 JEEE C=CCN(CC=C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1NC(=O)CC1(C)C 1595185528 ZWAKWIJMZWPEIW-IBGZPJMESA-N 472.615 2.289 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H](c2ccc(OC)cc2)C1 1595607109 AFJCTTBSEQBPRQ-DXIQSLLYSA-N 455.559 2.307 30 10 JEEE CC1(C)COCCN1CCn1c(-c2cccc(C#N)c2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1611799550 HWIOULDURMZYPZ-NRFANRHFSA-N 486.642 2.331 30 10 JEEE CCCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCOCC2)CC1 1614930696 GEHGFPFRNDPZJZ-UHFFFAOYSA-N 452.559 2.101 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2CCC(=O)NC(C)C)c1 1689872095 OFTCIUSRINBPJZ-UHFFFAOYSA-N 459.554 2.235 30 10 JEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(N2CCCC2)CCOCC1 1689966298 OSOZIQCGTKQUOB-HXUWFJFHSA-N 488.633 2.301 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CC(C)(C)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1689982334 KVGIVXJFRYVDFJ-KXBFYZLASA-N 478.537 2.145 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CC1(CCOCC)CCC1)[C@H]1CCS(=O)(=O)C1 1689991190 XXNKDOMMLRMVQP-PMACEKPBSA-N 464.632 2.396 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC(=O)NCC(F)(F)F 1690055425 VAQCRLVVKBZWMR-INIZCTEOSA-N 482.507 2.492 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCC2CC(OC(C)(C)C)C2)CC1 1690144190 OYGREUNFROJPEH-LYBXBRPPSA-N 470.618 2.179 30 10 JEEE C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N1CCN(CC(=O)NC2CC2)CC1 1690276003 CUBOAMICLNGKMT-UHFFFAOYSA-N 462.396 2.023 30 10 JEEE C=CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCCN(S(C)(=O)=O)CC1 1690460418 HOECMCCVMOYBNN-UHFFFAOYSA-N 485.614 2.020 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCC(=O)N2)n1CCN/C(O)=C1\N=CC=CC1=O 1690570047 UGWFJWIPEVHVMP-QCLNCQLRSA-N 479.516 2.087 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1690660443 HSVQWHLLKPWEFZ-IAGOWNOFSA-N 498.563 2.434 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1690661656 COHOBAYPCPWERI-IBGZPJMESA-N 487.511 2.259 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1690672458 SBSIDSFAESPTEP-LJQANCHMSA-N 484.557 2.150 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2ccc(F)cc2F)CC1 1705494874 HPBHHPNFHACNQS-HNAYVOBHSA-N 479.553 2.079 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ccc(C)cc1OCC)[C@H]1CCS(=O)(=O)C1 1705564339 AWMMOUOCTHTNDV-IBGZPJMESA-N 466.567 2.117 30 10 JEEE C#CCN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1CC[C@H](C(F)F)N1CCOCC1 1705611480 FOMACDWGZALGTN-GOSISDBHSA-N 471.512 2.409 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCN2CCOC(C)(C)C2)CC1 1705640487 UIAHKRVWUZHBKM-UHFFFAOYSA-N 457.022 2.388 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@H](Cn2c(-c3cnccn3)nnc2N2CCO[C@H](C#N)C2)C1 1706157643 AUAFAOIDRJHBPR-DLBZAZTESA-N 454.535 2.111 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CC1(c2ccc(F)cc2F)CC1 1706870530 DMWFFRKORHZANL-RBZFPXEDSA-N 468.505 2.340 30 10 JEEE CCNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCC[C@H](C)C2)CC1 1710342819 CMBDHXWADQSWSG-FQEVSTJZSA-N 480.617 2.312 30 10 JEEE CCO[C@H]1C[C@@H](N(C)c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)N(C)C)C1(C)C 1710588043 CTTJAOFZYXYJNH-MOPGFXCFSA-N 460.604 2.348 30 10 JEEE COCC1(Cn2c(C3CCN(c4ncccn4)CC3)nnc2N(C)C[C@H](C)C#N)CCOCC1 1712201118 AXQOABOFZFKLNX-LJQANCHMSA-N 468.606 2.491 30 10 JEEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(N(C)C)CCOCC2)C[C@H](C)O1 1712282774 BHUQJOPFQVJMCV-RXVVDRJESA-N 454.575 2.168 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(c2ccccc2C)CCOCC1 1722275839 GLFGDLWSZMJNPT-OALUTQOASA-N 459.616 2.403 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CCc2scnc2C)c1 1722308937 HYXJDGWVUQHILY-SFHVURJKSA-N 463.567 2.293 30 10 JEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2ccc(OC(F)F)cc2)C1 1722324496 SLAPNCVAHACQRV-YJBOKZPZSA-N 483.541 2.481 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCC1(COC)CCC1)[C@H]1CCS(=O)(=O)C1 1722366644 ISHMMGJMLFVTNJ-OALUTQOASA-N 450.605 2.353 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCc2noc(CC)n2)CC1 1722442344 RYXLIXNSVBXSRB-UHFFFAOYSA-N 455.950 2.454 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1CN1CCOCC1 1722516785 CYOPUOAZOGTLCY-JOCHJYFZSA-N 473.643 2.463 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCn2cc(C)nc21 1722517907 PEYXTKQYAJVHKH-RTBURBONSA-N 477.635 2.096 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(c2cnccn2)CC1 1722731190 GHGJVRYAEBHUOU-UHFFFAOYSA-N 497.625 2.191 30 10 JEEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2nc3ccccc3o2)CC1 1722732365 KZWDDAXWRIWMMN-MRXNPFEDSA-N 491.643 2.275 30 10 JEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1722739897 YOUBMVVTXRSAGU-OKZBNKHCSA-N 497.687 2.403 30 10 JEEE C=CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(CC(=O)N(C)C)CC1 1722741239 FLDHCIZHBWYOOV-UHFFFAOYSA-N 464.586 2.277 30 10 JEEE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3ccc(C#N)cc3)n2CCN2CCOC(C)(C)C2)C1 1722754014 HIERMFSEESORJT-NRFANRHFSA-N 465.602 2.232 30 10 JEEE CCn1cc([C@@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCNC(=O)C(C)C)CCO2)cn1 1728528763 BMDGLKQZWHWYCN-NRFANRHFSA-N 462.558 2.383 30 10 JEEE N#C[C@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCCN2CCCCC2)CCO1 1731185925 HVHDJMLTXGDKFY-FQEVSTJZSA-N 471.993 2.466 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1Cc1c(C)cc(C)cc1C)[C@@H]1CCS(=O)(=O)C1 1740623370 SIBSBUXSAURDJD-LJQANCHMSA-N 450.568 2.335 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCO[C@@H]1C(=C)C 1740632002 ZNQQWJKZSOUHRX-IFMALSPDSA-N 467.595 2.249 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC1([S@@](C)=O)CC1 1740668953 GGTCTUHURIOHOV-JGCGQSQUSA-N 452.584 2.436 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(C3CCCC3)n2CC2CCS(=O)(=O)CC2)n1 1740688289 CRACSGLWHZDBRP-UHFFFAOYSA-N 474.631 2.243 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCCCN2CCCC[C@H]2C)CC1 1740704212 JZEKIUPMLGDBDW-HXUWFJFHSA-N 466.634 2.299 30 10 JEEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1740722779 JXGKXUIEIDGQQQ-AZUAARDMSA-N 460.648 2.065 30 10 JEEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CCOCC)[C@@H](CC)C1 1740742948 GZCDBVCNRKKEIP-JKSUJKDBSA-N 455.401 2.075 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1740754640 UVJGLUPEYZCHJF-TZYHBYERSA-N 485.585 2.285 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CC)Cc1nc(O)c2ccccc2n1 1740794947 KZYSPOQRXOIKSE-QGZVFWFLSA-N 486.598 2.448 30 10 JEEE C=C(Cl)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(CCS(C)(=O)=O)C1CC1 1740810565 DSYQUPGKLZESBQ-UHFFFAOYSA-N 466.011 2.218 30 10 JEEE C=CCN(c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCCCS1(=O)=O)C1CC1 1740907919 DBEDVGIXEWOUOL-FQEVSTJZSA-N 493.655 2.318 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(c2cc3ccccc3[nH]2)CC1 1740951209 CZWIBKAZVKBGDM-MRXNPFEDSA-N 485.614 2.056 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1CC(C)(C)OC(C)(C)C1 1740985003 AITSTXNJKRWHBH-UHFFFAOYSA-N 455.625 2.191 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1740988724 NOKFJURFXUVHES-FQEVSTJZSA-N 467.954 2.197 30 10 JEEE CC(C)N(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1741604557 GFJXWEHMBMJATN-UHFFFAOYSA-N 473.647 2.407 30 10 JEEE CCCNC(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1745784948 BMOSPTOWDKDXAA-SFHVURJKSA-N 491.575 2.301 30 10 JEEE CNS(=O)(=O)CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(CCC#N)CC1CC1 1748296425 FXUXKBYGXHPJLK-UHFFFAOYSA-N 495.650 2.072 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCN1C[C@H](C)O[C@H](C)C1 1748650564 AGWKTUSYIDSMJU-AQNXPRMDSA-N 488.658 2.153 30 10 JEEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1748752104 RVUBLKPIWDYOHO-OTWHNJEPSA-N 472.590 2.247 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1748810506 XEQHEAUPQGNPHN-RDJZCZTQSA-N 466.007 2.184 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1nnc(C(C)(C)C)s1)[C@@H]1CCS(=O)(=O)C1 1748815338 PABACKPPNCOYAB-MRXNPFEDSA-N 485.639 2.473 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1CCc1ccncc1)[C@H]1CCS(=O)(=O)C1 1748819988 WJXXUHIPOUUKDJ-FQEVSTJZSA-N 453.543 2.272 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CCC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1748825408 YLVPKDPZJWVUEP-NRFANRHFSA-N 483.594 2.172 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(C(N)=O)CCOCC1 1748925879 OVLASRRNHLVHGX-SFHVURJKSA-N 474.606 2.134 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2C[C@@](C)(O)CCOC)CC1 1749008564 CVAYEFYFRMNUCV-SANMLTNESA-N 492.580 2.353 30 10 JEEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](c2ccccc2)C[C@H]1C 1749037373 CCAPEDMALKQZOK-NRSPTQNISA-N 489.667 2.360 30 10 JEEE C#CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC(C)(OC)C1 1749038242 OXBJLGGICVEYBP-INIZCTEOSA-N 451.593 2.178 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)COC)CC1 1749135261 DCGKAJHJDCCRAJ-GBXCKJPGSA-N 480.569 2.005 30 10 JEEE COC[C@@H](Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)C[C@H](C)C#N)OC 1749332369 AHJFMZICUKQJAB-IAGOWNOFSA-N 453.547 2.493 30 10 JEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)c1nc(C)cs1)C1CC1 1749519354 JRJLQGOMPCHYRD-WMLDXEAASA-N 466.633 2.334 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCCS1(=O)=O 1749541236 KCOLHONOQYVTCE-AEFFLSMTSA-N 499.634 2.187 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N(C)C[C@H]1CCCCO1 1749652704 RFFBJGQUNNQOJV-OAHLLOKOSA-N 451.369 2.354 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC(C(=O)c2ccccc2)CC1 1749730833 SGJMSLKYPPYNNC-UHFFFAOYSA-N 466.567 2.435 30 10 JEEE N#Cc1cccc(-c2nnc(N3CCS(=O)(=O)CC3)n2Cc2ccc(OCC(F)(F)F)nc2)c1 1750381735 CROZIWNQRINZPG-UHFFFAOYSA-N 492.483 2.436 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCCO3)n2C[C@@]2(OC)CCOC2)c1 1760128488 JNFSFNROMLXUIJ-YKSBVNFPSA-N 453.543 2.381 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2Cc2csc([C@@H](C)OC)n2)c1 1760128614 NRYZNJJBCUCMJB-BEFAXECRSA-N 493.593 2.498 30 10 JEEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1760159169 YBDBWXKBIITWRL-UHFFFAOYSA-N 475.597 2.277 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H](C)Oc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1760189372 UDBCLEYHPWGJDG-ZHALLVOQSA-N 462.547 2.015 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(F)cc2Br)n1CCC[C@@H]1NC(=O)NC1=O 1760215340 XBCJEULQICRLTA-KRWDZBQOSA-N 487.333 2.298 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCOc2ccccc2Cl)CC1 1760269396 HAZKIBFRAFOIPJ-GOSISDBHSA-N 457.962 2.480 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)c[nH]2)n1CCN1CCN(C(C)=O)CC1 1760290405 FBGXUDYCWYCWTK-OAQYLSRUSA-N 474.407 2.192 30 10 JEEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)CCn1cccn1 1760523667 FDDBOIDGGZDGAO-UHFFFAOYSA-N 472.594 2.028 30 10 JEEE C=CCOc1ccc(Cn2c(Cc3ccccn3)nnc2N2CCCN(S(C)(=O)=O)CC2)cc1 1760531121 DIGWLNODGFCMQK-UHFFFAOYSA-N 482.610 2.349 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC(O)(Cc2cccc(C)c2)CC1 1760553444 CPGNFZYJHJCCKY-UHFFFAOYSA-N 482.610 2.218 30 10 JEEE CC(C)(C)[S@@](=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1760804498 FXDKZDGTIZZFPP-BPJXYHRLSA-N 467.599 2.466 30 10 JEEE COCC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(COC)CCC2)CC1 1770684608 BOAIEZQYOKUUCM-UHFFFAOYSA-N 452.559 2.365 30 10 JEEE CC(C)(C)OC(=O)NCC12CC(C(=O)ON3C(=O)c4ccccc4C3=O)(C1)C1(CCOCC1)O2 1772794157 BIBMQBLLAGISKF-UHFFFAOYSA-N 472.494 2.364 30 10 JEEE COc1ccc2nc(N3CCN(S(=O)(=O)c4ccc5c(c4)OCO5)CC3)c(C#N)cc2c1 1857959796 SWOCYCYDNXSADW-UHFFFAOYSA-N 452.492 2.355 30 10 JEEE C=CCNC(=O)[C@H]1C[C@@H](O)CN1C(=O)c1ccc2nc(-c3ccc(OC)cc3OC)[nH]c2c1 1861419526 QRDCKIMKIGUICT-FOIQADDNSA-N 450.495 2.125 30 10 JEEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1ccc(C(=O)OC)cc1 1865723735 UFYDQWPLLCFZRL-SFHVURJKSA-N 498.580 2.042 30 10 JEEE C=CCn1cc(OCC(=O)Nc2ccc(C(=O)OC(C)C)cc2)c(=O)cc1CN1CCOCC1 1870390622 QAOXDEXAMMHKFI-UHFFFAOYSA-N 469.538 2.449 30 10 JEEE COc1ccc(N2C[C@H](c3nnc(SCC(N)=O)n3/N=C/c3cccc(OC)c3)CC2=O)cc1 1874199164 HDTXKTPFXCWBRE-KWJLSGNOSA-N 480.550 2.275 30 10 JEEE COC(=O)CSc1nnc(C2CCC2)n1/N=C/c1ccc(OCCN2CCOCC2)c(OC)c1 1874496251 CAKNDTCFSOZGKU-BUVRLJJBSA-N 489.598 2.413 30 10 JEEE COc1cncc(O[C@@H]2CCN(C(=O)[C@H]3SCC(=O)N(C(C)C)[C@@H]3c3ccc(C#N)cc3)C2)n1 1891486517 ARIFRZJWEGCKPX-YSZBQJHXSA-N 481.578 2.430 30 10 JEEE C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]1(O)C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 2068509534 CEXZYZIDAIXGPP-MKFDZEHOSA-N 451.564 2.312 30 10 JEEE CC(C)(C)OC(=O)N[C@]1(C(=O)NCCc2cccc(B3OC(C)(C)C(C)(C)O3)c2)CCOC1 2180971541 ATRIMOJEVXQYQH-XMMPIXPASA-N 460.380 2.328 30 10 JEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H]1C[C@@H]1NC(=O)OC(C)(C)C 2247876328 NAPFQGYUJQZGAQ-STQMWFEESA-N 458.411 2.300 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2256618464 QJUKSUWIJTZBQZ-CHWSQXEVSA-N 452.386 2.281 30 10 JEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H](O)C1 2267134096 KVUMXDVJOJYIMN-HNNXBMFYSA-N 466.409 2.410 30 10 JEEE Cc1csc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2O)c1B1OC(C)(C)C(C)(C)O1 2267159015 NSXKXOJRMYAFGW-GJZGRUSLSA-N 466.409 2.456 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)c(Cl)c2)[C@H](O)C1 2267402919 GOWGCXKMXKXHTE-DLBZAZTESA-N 466.771 2.349 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](NS(=O)(=O)c2c(Cl)cccc2B2OC(C)(C)C(C)(C)O2)CO1 2267468322 VCESJXYCXHQVID-CYBMUJFWSA-N 488.799 2.468 30 10 JEEE Cc1c(C(=O)NCC[C@@H](C)N(C)C(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2267493723 MMWUFJYEZKXRGH-CQSZACIVSA-N 450.389 2.403 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C(F)(F)C1 2267529648 NTAMWHLRIRQOHR-ZDUSSCGKSA-N 456.299 2.083 30 10 JEEE C=C(CS(=O)(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1CCOC)B1OC(C)(C)C(C)(C)O1 2267722336 JPUMCTFLDSDXEJ-QGZVFWFLSA-N 474.429 2.462 30 10 JEEE CC(C)(C)OC(=O)N1CC(CO)(C(=O)Nc2ccc(Cl)c(B3OC(C)(C)C(C)(C)O3)n2)C1 2268642165 FECQJPHYBMCACK-UHFFFAOYSA-N 467.759 2.202 30 10 JEEE CC(C)(C)OC(=O)NCCn1cnc(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)s2)c1 2268653162 YZQCUYIZPZOJKD-UHFFFAOYSA-N 463.369 2.416 30 10 JEEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCC[C@@H](NC(=O)C(F)(F)F)CC3)s2)OC1(C)C 2270595723 OAFHYIFUHROTKF-GFCCVEGCSA-N 482.355 2.269 30 10 JEEE Cn1nncc1C1(Oc2cccc(B3OC(C)(C)C(C)(C)O3)n2)CN(C(=O)OC(C)(C)C)C1 2281459467 UPTJPGFPOMCXPV-UHFFFAOYSA-N 457.340 2.034 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@]2(CCN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)sn3)C2)C1 2281999096 VTVCAZXTXWBURB-QFIPXVFZSA-N 479.408 2.294 30 10 JEEE CCn1cc(C(=O)N[C@H]2[C@@H]3[C@@H]2CCCN3C(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2282042424 GYCGQQCGGGASKS-OIISXLGYSA-N 460.384 2.330 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O 2282129852 GMZHHYCDZJTAGS-RBUKOAKNSA-N 460.380 2.394 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)[C@@]2(CCOC2)C1 2282517189 QOCXQYUZXUKCOX-FPTDNZKUSA-N 479.408 2.341 30 10 JEEE C[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282535117 ZVARWTVEHYLJOG-HZPDHXFCSA-N 462.400 2.485 30 10 JEEE Cc1c(C(=O)N[C@H]2C[C@@](F)(CNC(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282551481 JVMBKRDVBVSINY-CAJLXGCNSA-N 466.363 2.153 30 10 JEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1CCNC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282554368 CNDZDBNHIFYNFW-HOTGVXAUSA-N 462.400 2.342 30 10 JEEE Cc1c(C(=O)N2C[C@@H](C)C[C@@H](NC(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282554603 GNQDHFIRDITSLF-GOEBONIOSA-N 462.400 2.403 30 10 JEEE Cc1cc(S(=O)(=O)N[C@@H]2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)ccc1B1OC(C)(C)C(C)(C)O1 2282833488 XVLIQIAKSJNBBB-IZZQQSIFSA-N 478.420 2.438 30 10 JEEE C[C@H]1CC[C@H](NC(=O)C(F)(F)F)CN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1O 2282983673 RPWMMQNYPDKQHA-JSGCOSHPSA-N 456.270 2.363 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1Cc2cccc(B3OC(C)(C)C(C)(C)O3)c2C1 2283945217 YAAGEXZEHIZMNV-VQIMIIECSA-N 458.364 2.198 30 10 JEEE CC(C)(C)OC(=O)N[C@]1(C(=O)N2Cc3ccc(B4OC(C)(C)C(C)(C)O4)cc3C2)C[C@H](O)C1 2284051305 MJKDFNZLWJZPOP-OWWJJEGGSA-N 458.364 2.246 30 10 JEEE CN(Cc1ccccc1)C[C@H](NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1)C(=O)O 2284423097 MCDLFXCSNXHMHH-FQEVSTJZSA-N 456.323 2.440 30 10 JEEE COC[C@@]12CCN(S(=O)(=O)c3cn(C)cn3)C[C@H]1CN(c1ccc(C#N)c(C(F)(F)F)c1)C2 2297648977 OBHVEGKORDWHLR-UZLBHIALSA-N 483.516 2.474 30 10 JEEE N#Cc1ccc(N2C[C@@H](C(N)=O)[C@@H](C3CCN(C(=O)c4ccncn4)CC3)C2)cc1C(F)(F)F 2297650493 OIMWISDKLUDOKZ-QZTJIDSGSA-N 472.471 2.457 30 10 JEEE CCOc1ccc(C=CC(=O)[C@H]2C[C@H](NC(=O)CNC(=O)c3ccccc3)CCN2)cc1OC 2328106790 RQQHTUVSYXONPH-NHCUHLMSSA-N 465.550 2.343 30 10 JEEE CCCNC(=O)CSc1nnc([C@@H]2CCCO2)n1N=Cc1cc2c(cc1[N+](=O)[O-])OCCO2 2330935740 KZDAECPWAOHANY-HNNXBMFYSA-N 476.515 2.310 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1[C@H]2CCC[C@H]2[C@@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2334388780 LKZVWQNMTJGPSK-ZOBORPQBSA-N 464.397 2.137 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2C[C@H]3C[C@H]2CN3C(=O)OC(C)(C)C)n1C 2362331394 HPJILYNPIWWDIB-XHSDSOJGSA-N 460.384 2.155 30 10 JEEE Cn1cnc(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 2362351038 ZUVRNPDPIQFHMG-QXSJWSMHSA-N 460.384 2.141 30 10 JEEE O=C(CSc1n[nH]c(N/N=C/c2cc([N+](=O)[O-])ccc2O)n1)Nc1ccc2c(c1)OCCO2 58997345 YMXSRPYYXATRBP-AWQFTUOYSA-N 471.455 2.367 30 10 JEEE NC(=O)[C@@H]1CCN(c2ccc(C#Cc3c(Cl)ccn(N4CCc5ccccc54)c3=O)cn2)C1 89209891 AGAZBONAMABACL-LJQANCHMSA-N 459.937 2.434 30 10 JEEE COCCOc1ccc(C(=O)NC(=S)N2CCN(CCC#N)CC2)cc1Br 100435698 YIFQGKQPABDZOG-UHFFFAOYSA-N 455.378 2.020 30 10 JEEE COC(=O)c1ccc([C@H]2/C(=C(/O)c3c(C)nn(C)c3C)C(=O)C(=O)N2CCCN(C)C)cc1 102744184 VIJJKWGNACLIEU-LCPUNJGISA-N 454.527 2.197 30 10 JEEE COCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)N(C)CCO3)[C@H]1c1ccc(OC)c(O)c1 170321642 MZUFGECSJJMAOD-OAQYLSRUSA-N 454.479 2.454 30 10 JEEE O=C(NCC#CC(=O)N1Cc2[nH]cnc2C[C@@H]1C(=O)O)OCC1c2ccccc2-c2ccccc21 757474038 GNWINRLTQPQKED-HSZRJFAPSA-N 470.485 2.290 30 10 JEEE COc1ccc(Cl)cc1NC(=O)CSc1nnc(NN=Cc2ccc(O)cc2O)n1N 1084365318 LJKUNOSRANKALU-UHFFFAOYSA-N 463.907 2.242 30 10 JEEE C#CCNC(=O)C1CCN(C(=O)c2cc([N+](=O)[O-])cc(I)c2C)CC1 1128434192 SOMHYKYNHXOOLZ-UHFFFAOYSA-N 455.252 2.109 30 10 JEEE CCN(C(=O)CNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)c1ccccc1 1133573976 HJZCMOPPIFSNNX-UHFFFAOYSA-N 454.552 2.128 30 10 JEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCN([C@H]2CCC[C@H]2O)CC1 1142957367 GMSJXDGKXWHHDQ-DLBZAZTESA-N 452.349 2.156 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CC1(C)CC1)[C@@H]1CCS(=O)(=O)C1 1286380645 CFWPYTZIQRFZDZ-CQSZACIVSA-N 452.378 2.463 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H](C)c1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1286390099 WXFYSJNADXCZAM-WIYYLYMNSA-N 452.584 2.417 30 10 JEEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1C[C@H]1CCN(CC)C1)[C@H]1CCS(=O)(=O)C1 1286398351 XLULMKKFKKWCKD-VXKWHMMOSA-N 485.654 2.442 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1nccnc1C)[C@@H]1CCS(=O)(=O)C1 1286399035 XCPCSQXRMRZKQP-SFHLNBCPSA-N 486.642 2.165 30 10 JEEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1286423370 SJNOLYNQOIXZJU-RLWLMLJZSA-N 492.628 2.282 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2C[C@@H](C)O[C@H](C)C2)CC1 1286492583 MVMJDACANKOSNN-WOJBJXKFSA-N 467.618 2.309 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCCO2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1286555106 JWDWGLLKKBEFGY-XWSJACJDSA-N 453.609 2.019 30 10 JEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCSC1(C)C)C1CC1 1286736163 BOHOBHCNHDHOEE-DOTOQJQBSA-N 455.650 2.298 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N(C)CCNC(=O)C(C)C 1286779100 DUBAHXUQJQCUCD-UHFFFAOYSA-N 463.380 2.218 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC(CNC(C)=O)CC1 1286780596 PICOTVBXOJGUEJ-MRXNPFEDSA-N 458.538 2.212 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CC[C@@H](C(=O)OC)C1 1286782374 SITIFKXETVRGPL-LLVKDONJSA-N 454.350 2.071 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1286817339 RLWSGHUFLJHORP-UHFFFAOYSA-N 486.598 2.475 30 10 JEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](CN2CCCC[C@@H]2C)C1 1286823341 MHNLSKHCSUFOHT-SFTDATJTSA-N 492.690 2.092 30 10 JEEE CC(=O)N1CCN(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCS[C@H](C(C)C)C2)CC1 1286888915 BXKUVXOAIBSYSN-QHCPKHFHSA-N 497.669 2.471 30 10 JEEE Cc1nccn1CCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@](F)(C#N)C1 1290514007 HQUOISCCVJTQND-NRFANRHFSA-N 457.535 2.386 30 10 JEEE CC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCN2S(C)(=O)=O)C[C@@H](C)O1 1293637797 HLQLGRTVMZYAGR-RLLQIKCJSA-N 488.614 2.156 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2C[C@@H]2CCCS(=O)(=O)C2)c1 1300333920 GFPYYRDPXNGCGV-PMACEKPBSA-N 485.610 2.053 30 10 JEEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1300391246 KTDCYAAAIFBZBP-AEFFLSMTSA-N 453.543 2.347 30 10 JEEE COc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1CCn1cc(Br)cn1 1300658567 FUARWAZUPJYILM-MRXNPFEDSA-N 488.346 2.254 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1300891722 MLMQNQRUNGXPQB-MZKRTTBSSA-N 472.634 2.370 30 10 JEEE C=C(C)Cn1c(-c2ccccc2OC)nnc1N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 1300944446 OMNKIYHTUCEJEK-GOSISDBHSA-N 463.604 2.407 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCCN(CC(F)(F)F)CC1 1301506258 ICGOSRMEQYPDMQ-UHFFFAOYSA-N 454.472 2.385 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc3cccnc23)nnc1N1CCN(CCOC)[C@H](C)C1 1301577822 OAEZKOIZVZESNX-LJQANCHMSA-N 484.626 2.251 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CCN(C2CCC2)CC1 1301592872 FRTFKBGZIFVKDS-UHFFFAOYSA-N 459.616 2.441 30 10 JEEE N#CCCN(CC1CC1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1303012624 GNFPQPKHJOFBNF-IAGOWNOFSA-N 474.553 2.194 30 10 JEEE Cc1cnn(CC2CCN(c3nnc(-c4cccc(C#N)c4)n3CCS(C)(=O)=O)CC2)c1 1304599974 HETAEMWMARVMMB-UHFFFAOYSA-N 453.572 2.283 30 10 JEEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@@](C)(O)c1ccc(F)cc1 1306193339 FWOVUBWEQHMDCK-HSZRJFAPSA-N 452.538 2.128 30 10 JEEE N#Cc1cccc([C@@H]2CN(C(=O)Nc3cccc(S(=O)(=O)N4CCOCC4)c3)CCO2)c1 1309979522 CPOMFBVIHHQWAQ-NRFANRHFSA-N 456.524 2.185 30 10 JEEE CNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2nccn2C(F)F)CC1 1315002566 BJTUHQPOBGBDOE-UHFFFAOYSA-N 470.484 2.331 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2C[C@@]2(OC)CCOC2)c1 1358902728 XJQXOGPZWNRMRD-DVECYGJZSA-N 453.543 2.034 30 10 JEEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1358916085 ZOBAEFKTHJWKMU-UHFFFAOYSA-N 461.636 2.194 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1CCc1ccccn1)[C@@H]1CCS(=O)(=O)C1 1358967904 VIHVFKYPJDLVLP-LJQANCHMSA-N 469.542 2.261 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H](C)N(C)C2CC2)CC1 1359042598 MNTZWWSMKKWRIA-SFHVURJKSA-N 480.613 2.411 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)C2CC2)C1 1359563260 HWOBHDIHKNPYBR-IBGZPJMESA-N 465.558 2.446 30 10 JEEE CCOC(=O)c1c(NC(=O)N[C@H]2C[C@H](C)N(c3ccccc3)C2=O)c(C#N)cn1CCOC 1466104041 BACBUCLQHSWHSA-YJBOKZPZSA-N 453.499 2.498 30 10 JEEE CCOc1ccc(C#N)cc1NC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 1476032483 GHKQUFRIUSREMB-GOSISDBHSA-N 451.531 2.374 30 10 JEEE CCNC(=O)C(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1502384108 HJKTZQKDOUARQH-GOSISDBHSA-N 469.565 2.282 30 10 JEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1507556253 GKLIOUPHNXCLEX-PXNSSMCTSA-N 456.572 2.141 30 10 JEEE C#CCCCCn1c(COc2ccc(OC)cc2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1507570528 FRARCNQXDJRHGA-QFIPXVFZSA-N 480.569 2.436 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(Br)c2)n1CCCOC)[C@@H]1CCS(=O)(=O)C1 1507629825 WSGKMYMSNDVCAJ-MRXNPFEDSA-N 497.415 2.379 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1CCN(CC)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1507631367 OWESKBDOVVXZNG-IBGZPJMESA-N 488.614 2.224 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCCO[C@H]2c2ccccc2)CC1 1507715895 JTLNXJJYIBLMGI-VXKWHMMOSA-N 450.587 2.339 30 10 JEEE C#CCN1CCN(c2nnc(CSc3ccccc3OC)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1507733421 YDAVZAQQTMPYGL-IBGZPJMESA-N 489.667 2.159 30 10 JEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1507835962 RYHHDOLUQJRKGY-UHFFFAOYSA-N 463.586 2.301 30 10 JEEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1508059346 SGNHKXQLOBABDX-WOJBJXKFSA-N 487.605 2.491 30 10 JEEE C=CCSCCn1c(-c2ccccc2OC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1508153031 FYNUVPDTOJYTDM-QGZVFWFLSA-N 456.572 2.346 30 10 JEEE Cc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CC[C@@](F)(C#N)C2)c(O[C@@H]2CCOC2)c1 1510860985 FUPRHWVGJKEGKX-WZONZLPQSA-N 456.522 2.383 30 10 JEEE CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)CCO1 1517533305 ALLFHANRPZGGCS-QFBILLFUSA-N 483.573 2.023 30 10 JEEE COCC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2C[C@H](C)O[C@@H](C)C2)CC1 1518656770 AYXSEOPBHJGDMP-PMACEKPBSA-N 495.628 2.047 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2=O)ccc1F 1522716400 AYVDPBOVXKEUCJ-KRWDZBQOSA-N 451.907 2.479 30 10 JEEE C#CC[C@]1(C(=O)NCCN(C)S(=O)(=O)c2cccs2)CCCN1C(=O)OC(C)(C)C 1536160888 VLKSUDBKSYGUAU-HXUWFJFHSA-N 455.602 2.278 30 10 JEEE C#CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CCNS(=O)(=O)c1ccc(C)s1 1539154085 AAESJVSCTBTYIJ-UHFFFAOYSA-N 483.417 2.454 30 10 JEEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1539154588 QKPHNICBNVSLLX-PXNSSMCTSA-N 459.513 2.041 30 10 JEEE C#CCN(c1nnc(C2CC2)n1Cc1ccc(I)cc1)[C@@H]1CCS(=O)(=O)C1 1539215643 HRXUQUJSXQUYLY-QGZVFWFLSA-N 496.374 2.435 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1Cc1ncccc1N(C)C)[C@@H]1CCS(=O)(=O)C1 1539229881 JFMNJMYBPZDRGM-HXUWFJFHSA-N 494.621 2.302 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCC(=O)N[C@@H](C)CC 1539312633 WPGAPHFZRZOPLG-SFHVURJKSA-N 469.615 2.006 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(C)c(Br)c2)n1CCC[C@@H]1NC(=O)NC1=O 1539402946 LSDMOYNFXPFHIQ-KRWDZBQOSA-N 489.374 2.090 30 10 JEEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](c2ccccc2Cl)N(C)C)CC1 1539443928 BMQHNJUSOAHPAY-OAQYLSRUSA-N 452.994 2.390 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCc2ccc(N(C)C)cc2)CC1 1539477842 ZZLKTZXLOWTEGJ-UHFFFAOYSA-N 458.570 2.010 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCC(=O)NC(C)C)CC1 1539489721 WLUJWVDNPTVXTF-UHFFFAOYSA-N 487.004 2.391 30 10 JEEE C#CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(C(=O)NCC)CC1 1539492082 ZHDCVXPYNNXWHX-UHFFFAOYSA-N 490.033 2.079 30 10 JEEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1539506617 NEDWLAMWAZDVRH-HXUWFJFHSA-N 485.610 2.156 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(C)C(=O)C1 1539619744 HKWGMKDZHXLFMR-KKSFZXQISA-N 471.558 2.231 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1539640827 BMNOHWAMJWKQDT-LSWJPFSZSA-N 469.586 2.406 30 10 JEEE C=C(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1539700073 MOAABCWJXJOTDO-KRWDZBQOSA-N 485.614 2.017 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCC(C)(C)COC)CC1 1539890045 HTEADAIEAKODAM-IBGZPJMESA-N 469.652 2.466 30 10 JEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](Cc2ccccc2)C1 1540005503 LWXKPQUVNUNKKF-NHCUHLMSSA-N 475.615 2.025 30 10 JEEE C=CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1540857655 KPXOLMONCRFUEE-VQTJNVASSA-N 487.649 2.321 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(C(C)=O)C[C@H]1C 1540862847 KNWCQKFSVYHPIH-CVEARBPZSA-N 460.966 2.431 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](c2ccc(C)o2)N2CCOCC2)C1 1540881539 LZAMJLHBOANSPT-PMACEKPBSA-N 472.590 2.173 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1540907110 LQYRQLNEIMFNDK-DEOSSOPVSA-N 474.627 2.438 30 10 JEEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1540916189 TVTXZOWEGQZDPB-FQEVSTJZSA-N 461.680 2.143 30 10 JEEE CC(C)(C)c1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCNC(=O)C2CC2)cc1 1541143336 GXATYRHGMHLNDU-FQEVSTJZSA-N 452.559 2.410 30 10 JEEE COc1cccc(-c2nnc(N3CCN(c4c(C#N)c(C)nn4C)CC3)n2C[C@@H](C)N(C)C)c1 1555009552 AMSNTFBBBIGNGF-QGZVFWFLSA-N 463.590 2.144 30 10 JEEE N#Cc1ccc(N2CCN(C(=O)c3cc(S(=O)(=O)N4CCCC4)ccc3O)CC2)c(F)c1 1584347422 DIHVCWACABGWIB-UHFFFAOYSA-N 458.515 2.150 30 10 JEEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 1587921535 ARORMNBJPKSMPH-WIOPSUGQSA-N 453.587 2.291 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@H](C)CN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1588064230 DMAHDDYJIZNLSK-WIYYLYMNSA-N 490.699 2.383 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1nccnc1C 1588550831 ZDIDUOIDWDDKPE-IBGZPJMESA-N 468.558 2.300 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCC[C@@H]1NC(=O)NC1=O 1589216565 RSUOEALRDZONBY-AVRWGWEMSA-N 499.616 2.373 30 10 JEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1593741695 VHPCWGJBWUEVOC-LJQANCHMSA-N 453.522 2.159 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[C@H](N2CCOCC2)C(F)(F)F)CC1 1594236503 DHPWAMPHNDRMLQ-ROUUACIJSA-N 491.580 2.236 30 10 JEEE C=CCCOCCn1c(Cc2c(F)cccc2F)nnc1N1CCc2nn(C)c(=O)cc2C1 1594819914 OOWGEQJXAAWBET-UHFFFAOYSA-N 456.497 2.396 30 10 JEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(C(F)(F)F)c1 1595405779 YCMCYLHOINTJJZ-INIZCTEOSA-N 459.494 2.452 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1595555615 FFHOXYHQZQKUEM-HNNXBMFYSA-N 484.910 2.329 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@H]1CCOC1 1595798557 QMAPFONEOBUMGZ-MSOLQXFVSA-N 483.635 2.219 30 10 JEEE Cc1cccc(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)Cc2ccc(C#N)cc2)n1 1612225661 GWACMIOYMMUOMY-QFIPXVFZSA-N 495.609 2.065 30 10 JEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCC[C@@H](OC)C(F)(F)F)nnc12 1648717212 RMBDMLVYBQBIRE-CQSZACIVSA-N 455.462 2.406 30 10 JEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCC(F)(F)Br)nnc12 1654557974 ASDMFWODGGWOOK-UHFFFAOYSA-N 458.288 2.426 30 10 JEEE Cc1nc(C#N)c(N2CCN(C(=O)CN(C)[C@H](C)c3cccc(N4CCOC4=O)c3)CC2)o1 1658446012 HFIOVICEBQLNST-MRXNPFEDSA-N 452.515 2.153 30 10 JEEE Cc1cc(NC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c(C#N)cc1N(C)C 1670675221 CFKIQFHRQUSFLF-UHFFFAOYSA-N 457.556 2.275 30 10 JEEE C#CCN(C(=O)Nc1ccc(Cl)cc1-c1nc(CCOC)no1)[C@@H]1CCS(=O)(=O)C1 1675094354 JIFNZQFMMYZUKF-CQSZACIVSA-N 452.920 2.233 30 10 JEEE C#CCN(C(=O)NCCc1ccc(S(=O)(=O)N2CCCCC2)s1)C1CCN(C)CC1 1684945057 GUBBMXCVCAATPT-UHFFFAOYSA-N 452.646 2.204 30 10 JEEE C#CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1689915107 PXPPBKYGYDDEBK-IAGOWNOFSA-N 480.660 2.218 30 10 JEEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1CCCn1cccn1)[C@H]1CCS(=O)(=O)C1 1689996599 KLFJTYPCOLWOQL-NRFANRHFSA-N 482.610 2.387 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCCO2)n1CCNC(=O)c1cc[nH]n1 1690089650 JAFCJCIFFCDGGM-HXUWFJFHSA-N 451.506 2.452 30 10 JEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2csc([C@@H](C)OC)n2)CC1 1690132526 SBPFGWBYITVNLQ-GOSISDBHSA-N 454.604 2.107 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Br)cc3)n2CC[S@](=O)CC)CC1 1690139409 LDFGTNAPTOCNKE-SSEXGKCCSA-N 492.443 2.442 30 10 JEEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1690161949 WJFPDAVCOICQDX-LJQANCHMSA-N 453.528 2.322 30 10 JEEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCO[C@H](c2ccccc2)C1 1690300749 JIORKGGDAZBIQA-QUCCMNQESA-N 463.604 2.449 30 10 JEEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC(=O)N(C)[C@H](C)C1 1690345698 BALGPZIVWJYKEF-CABCVRRESA-N 454.959 2.006 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCO2)n1CCC(=O)N1CCOCC1 1690561090 CEAAIMJKTZHRDU-OAQYLSRUSA-N 450.543 2.443 30 10 JEEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@]1(O)CCOC1 1690605451 KQYIWZRHXFHRCX-QHCPKHFHSA-N 472.567 2.328 30 10 JEEE C=CCn1c(-c2cc(Br)cn2C)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1690629730 CHNBMXMQSNZXNN-KXBFYZLASA-N 476.423 2.221 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1690722333 FWSMWPTUTUBKHF-UHFFFAOYSA-N 465.583 2.068 30 10 JEEE C=CCSCCn1c(N2C[C@H](C)[C@H](N3CCOCC3)C2)nnc1[C@@]1(OCC)CCOC1 1690750580 NAJQNXBQDOZWGD-NNMXDRDESA-N 451.637 2.006 30 10 JEEE CC(C)NS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1692571877 GOHFYIBFUWJEIT-RHSMWYFYSA-N 486.520 2.301 30 10 JEEE C[C@@H](N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC2CC2)CC1)C(F)(F)F 1692758287 DIBDPYBXEHIKPY-OAHLLOKOSA-N 461.492 2.416 30 10 JEEE COCCN(CCC#N)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCOC[C@@H]1C 1698060295 BDPXNVTYNDVYGM-ROUUACIJSA-N 465.558 2.231 30 10 JEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2cc(OC)c(OC)cc2C1 1705510538 RRIYVYZMSGBGSI-MRXNPFEDSA-N 461.588 2.272 30 10 JEEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1CCc1ccc(OCCN(C)C)cc1 1705549854 KXNUKSSUVXSILL-UHFFFAOYSA-N 450.543 2.258 30 10 JEEE C#CCN(c1nnc([C@H](C)OCCOC)n1Cc1ccc(C)cc1C)[C@@H]1CCS(=O)(=O)C1 1705561300 SGFURPWUCMGLTH-PZJWPPBQSA-N 460.600 2.294 30 10 JEEE C#CCN(c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC(=O)NCC1CC1)[C@H]1CCS(=O)(=O)C1 1705562443 CGGHHJXKLLHFGT-NRFANRHFSA-N 483.638 2.396 30 10 JEEE C#CCN(c1nnc(-c2ccccc2)n1Cc1cccnc1OCC)[C@H]1CCS(=O)(=O)C1 1705565222 UGGZWKYUGMQFPB-FQEVSTJZSA-N 451.552 2.414 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1nccn1C(F)F 1705595948 MMLGXGBVMCHFOI-UHFFFAOYSA-N 462.464 2.295 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cccc(CO)c1 1705628993 UTYUNUOTQDLPEY-NRFANRHFSA-N 485.585 2.213 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCC[C@H]2CCCCO2)CC1 1705633911 BOCRMHATTMOCDX-OAQYLSRUSA-N 471.627 2.453 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](OCC=C)C1 1705903117 QOKUEZWRHSDGKE-MOPGFXCFSA-N 474.606 2.476 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1705906861 QXTSXGIABLCHKN-IBGZPJMESA-N 470.574 2.491 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCc2oncc2C1 1705932918 OAKLMFUWUJOSGK-UHFFFAOYSA-N 459.528 2.114 30 10 JEEE CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@H](C(F)F)N2CCOCC2)[C@H](C)C1 1705990378 SYJODZSAELQNMT-DYESRHJHSA-N 487.555 2.230 30 10 JEEE COC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCCO[C@@H](C)C2)CC1 1711479120 FIIQHSNDSZJNGQ-FQEVSTJZSA-N 497.600 2.118 30 10 JEEE C#CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1722344256 UPWQKRNNOVVKOI-CQSZACIVSA-N 461.286 2.368 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1CC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1722360865 WTEJBNBAFNXMCU-IBGZPJMESA-N 474.583 2.016 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CC1(C)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1722364536 LJOOYIZQOXJQBP-MRXNPFEDSA-N 496.431 2.479 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1C(F)(F)F 1722389150 DQIIFFLGMIRUCV-HNNXBMFYSA-N 453.490 2.418 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(C)n2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1722424865 CHQNHOMNTHAEBE-HSZRJFAPSA-N 460.582 2.349 30 10 JEEE C#CCSCCn1c(COc2ccc(OC)cc2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1722465215 GEKYQTSBYWHPPK-SIKLNZKXSA-N 471.627 2.389 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2F)CC1 1722535950 ANWSBHHUODBPMB-GOSISDBHSA-N 463.579 2.239 30 10 JEEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCCC(=O)NC 1722552571 SCNBCGIRFBCTKN-HNNXBMFYSA-N 456.975 2.301 30 10 JEEE C=C(Cl)Cn1c(N2C[C@H](C)[C@H](N3CCN(C(C)=O)CC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1722556571 CHAQMRGLUQDCQO-WGGBDISSSA-N 481.041 2.060 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCOC2)n1CC(=O)N1CCOCC1 1722657307 XOMLQAQFOBCVQA-NRFANRHFSA-N 450.543 2.095 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1722695699 MVCSVYPYFRFHCX-OAHLLOKOSA-N 472.977 2.404 30 10 JEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC(OC[C@@H]2CCCCO2)CC1 1722700461 KCMKJHJUQAGPDI-FQEVSTJZSA-N 474.631 2.491 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCN(C2CCOCC2)CC1 1722729496 MJLWTFBMSKMWQY-UHFFFAOYSA-N 473.643 2.079 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1722730053 GUUIYZJNTBPENS-XMMPIXPASA-N 484.626 2.150 30 10 JEEE C[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](C(F)(F)F)C1)N1CCOCC1 1723855938 GJWJFNAORVGLQZ-APWZRJJASA-N 480.491 2.217 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCCN1CCOCC1 1740552673 OSFKKOKLSPSHES-HXUWFJFHSA-N 452.607 2.022 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2C[C@@H]2CCCN(C(C)=O)C2)c1 1740563233 RHVIBMQLSFCHIA-YADHBBJMSA-N 478.597 2.487 30 10 JEEE C#CCN(C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1740603702 BJWHGELRZKOMFZ-OALUTQOASA-N 467.549 2.378 30 10 JEEE C#CCN(c1nnc(-c2ccccc2F)n1CCN(C)CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1740622000 RSUHBDADQUHMSW-OAHLLOKOSA-N 473.496 2.205 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCOC[C@H]1OC 1740657080 OQVJFWCZEVGRBP-PCCBWWKXSA-N 487.601 2.101 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCc2cnn(C)c2)CC1 1740692569 LVSVELJKCSKNPS-UHFFFAOYSA-N 457.380 2.157 30 10 JEEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1740718126 IFNSRLNSQJDZJM-RTWAWAEBSA-N 474.675 2.409 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC(=O)NCC=C 1740729874 NKXACNPSPHLJAN-RUZDIDTESA-N 459.554 2.359 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)NC(C)C 1740732098 RLGNYEMCCISQJU-GAJHUEQPSA-N 460.579 2.103 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1740750758 UHVWEFIXJQRGEQ-APWZRJJASA-N 472.550 2.344 30 10 JEEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccc1Cl 1740795400 UMGMBTAVOJUNJX-LJQANCHMSA-N 484.022 2.494 30 10 JEEE C=CCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1740843135 YYJDCGZAUOYIPR-FQEVSTJZSA-N 467.618 2.367 30 10 JEEE C=CC[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN2C(=O)N(C)C[C@H]2C1)c1ccccc1 1740854080 LAAOGQHWCUGANP-PMACEKPBSA-N 451.575 2.332 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(F)(F)F 1740919068 YQKLJQXHSDOCCU-INIZCTEOSA-N 459.494 2.366 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H](C)[C@H](C)C1 1740988037 RPCVOEJWNMICLA-DLBZAZTESA-N 466.629 2.432 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 1740989718 VWSXENOBCHDOBL-FQEVSTJZSA-N 495.609 2.499 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2ccccc2Cl)C1 1740991566 ZHWWZLZRMRWEMD-MSOLQXFVSA-N 479.990 2.061 30 10 JEEE C=CCSCCn1c(Cc2ccccc2F)nnc1N1CCCN(S(C)(=O)=O)CC1 1741002408 MWUIVELKWVCDBB-UHFFFAOYSA-N 453.609 2.399 30 10 JEEE CC(=O)N(C)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(CS(C)(=O)=O)CC2)CC1 1741009546 FQMXGWVOIISYFQ-UHFFFAOYSA-N 470.599 2.089 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CCc2ccccn2)c1 1748690747 WUSPUQWIDFYZEA-UHFFFAOYSA-N 457.538 2.208 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2Cc2cnn(CCOC)c2)c1 1748698881 ZNJIXNIHHURVID-OAQYLSRUSA-N 463.542 2.077 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CCC(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 1748809687 VTJYHCGSPKMOGI-HXUWFJFHSA-N 457.600 2.049 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1Cc1ccc(C)nc1)[C@H]1CCS(=O)(=O)C1 1748824534 PYSBNHYKLLFQKR-FQEVSTJZSA-N 469.542 2.375 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CCCNC(=O)OC(C)(C)C 1748875518 RBPKTCXWKIZAIU-UHFFFAOYSA-N 451.531 2.303 30 10 JEEE C#CCN(CC#CC)c1nnc(COc2ccccc2CC)n1CCN1CCN(C(C)=O)CC1 1748903443 ZTFKREUYRSZBBD-UHFFFAOYSA-N 462.598 2.047 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2sc(C)nc2C)CC1 1749003461 KPLPXMSAWNXCKT-QHCPKHFHSA-N 472.615 2.018 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@](O)(c1ccccc1)C(F)(F)F 1749053847 MTKSLMDJDBVULB-YSGRDPCXSA-N 485.532 2.331 30 10 JEEE C=C(C)Cn1c(Cc2ccncc2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1749198438 KLADEDDUMNANHD-UHFFFAOYSA-N 459.601 2.116 30 10 JEEE C=C1CCN(c2nnc(CCc3ccc(OC)cc3)n2CCN2CCN(C(C)=O)CC2)CC1 1749309927 RZGHPHRNRBSZFH-UHFFFAOYSA-N 452.603 2.392 30 10 JEEE C=CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1749336273 YAFMJTPPIZICPR-UHFFFAOYSA-N 451.980 2.336 30 10 JEEE C=CC[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1)c1ccccc1 1749383239 TWWQTFRJTLZQIX-FPOVZHCZSA-N 486.642 2.344 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC[C@@H](CNC(=O)c2ccccc2)C1 1749664589 SONHVIGZTVVHTR-IBGZPJMESA-N 459.554 2.289 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)c2ccc(F)cc2)CC1 1749721620 PISSEVOLUODURJ-UHFFFAOYSA-N 491.589 2.256 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@H](C(C)C)N2CCCC2)c1 1760128522 KROGFTWMLFBHMD-FGZHOGPDSA-N 477.613 2.406 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1cccc(C(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 1760182832 MPSFBAFZAJWIFW-QGZVFWFLSA-N 483.516 2.110 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(C)c(Br)c2)n1CCS(C)(=O)=O 1760246744 BDPAPMPGOKUMSW-UHFFFAOYSA-N 455.378 2.147 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2ccc(Cl)cc2)CC1 1760270604 ZYJIEPNBAJFRCI-LJQANCHMSA-N 490.029 2.042 30 10 JEEE C#CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(CCOCC)CC1 1760277963 WTCJRTKZVMVZHI-UHFFFAOYSA-N 457.600 2.241 30 10 JEEE C=C(C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1760343050 WIIFHIGBWIXTSD-IBGZPJMESA-N 454.531 2.305 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@H](CNC(=O)CCC)C1 1760519752 OAFUGHCWXRKAON-QGZVFWFLSA-N 468.558 2.109 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC2(O)CCN(C(C)C)CC2)C1 1760538793 WKJWCVQECALCQP-PXDATVDWSA-N 477.650 2.335 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2cnn(C)c2C)C1 1760539690 SWOHUOSXVZYGTD-LJQANCHMSA-N 456.572 2.220 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(c2cccnn2)CC1 1760557726 UTBZPWBICHRFPW-UHFFFAOYSA-N 497.625 2.191 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 1761477386 CXGMHBAPIIMRLR-SJLPKXTDSA-N 495.650 2.275 30 10 JEEE Cc1nc(N2CCOCC2)sc1-c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC(=O)NCC(F)F 1761606503 CYSUSEDECSKNMP-NRFANRHFSA-N 494.572 2.058 30 10 JEEE CCO[C@@]1(c2nnc(N3CCC(CC#N)CC3)n2Cc2cccc(S(=O)(=O)NC)c2)CCOC1 1767433672 BILADTRHSIUFTD-QHCPKHFHSA-N 488.614 2.017 30 10 JEEE CN(Cc1cccc(C#N)c1)c1nnc(CC2CCCC2)n1CC1(O)CCS(=O)(=O)CC1 1768662174 FFQKXVYAIWLGCX-UHFFFAOYSA-N 457.600 2.459 30 10 JEEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@H]2c2cc(OC)c(O)c(OC)c2)c1 1862707744 CUSXLCKZOBLTBX-FQEVSTJZSA-N 470.478 2.132 30 10 JEEE C[C@@H]1CN(C(=O)[C@H](Cc2c[nH]c3ccccc23)N=C2NS(=O)(=O)c3ccccc32)C[C@@H](C)O1 1869927920 ICSFAGIFBHEGCK-ZOCZFRKYSA-N 466.563 2.454 30 10 JEEE NC(=O)CSc1nnc(Cc2cccs2)n1/N=C/c1cc2c(cc1[N+](=O)[O-])OCCO2 1874411611 CZLLVCDWZOMHKR-AWQFTUOYSA-N 460.497 2.069 30 10 JEEE CN([C@H]1CCCN(C(=O)C2CCN(c3oc(-c4cccs4)nc3C#N)CC2)C1)S(C)(=O)=O 1892121893 VDEYZEWXETXBMP-INIZCTEOSA-N 477.612 2.374 30 10 JEEE CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2185172967 WQVDMMCMBWXGFM-MOPGFXCFSA-N 460.380 2.484 30 10 JEEE CN(CC1CN(C(=O)OCc2ccccc2)C1)C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2255610474 NVBWETCARCFKBD-UHFFFAOYSA-N 468.363 2.060 30 10 JEEE CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)cs1 2256621284 SEUDHXKNWGHEBQ-INIZCTEOSA-N 453.414 2.118 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1(C)C 2256679350 KLZPAEZCFDLUJA-NEPJUHHUSA-N 452.386 2.137 30 10 JEEE CN(C(=O)c1nn(C)c(Cl)c1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2267185451 VMDWIVAOXZLPGH-CYBMUJFWSA-N 468.791 2.454 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2csc(B3OC(C)(C)C(C)(C)O3)c2)[C@H](CO)C1 2267290053 YDCQHTYGBGYGIF-HOTGVXAUSA-N 466.409 2.395 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@H]1NC(=O)c1cc(F)ccc1B1OC(C)(C)C(C)(C)O1 2267405425 ODUVGIZTKKSJLV-IAGOWNOFSA-N 450.316 2.147 30 10 JEEE CC(C)(C)OC(=O)NC1(CNS(=O)(=O)c2ccc(F)c(B3OC(C)(C)C(C)(C)O3)c2)CC1 2267466565 CRCJZFDWBPNULQ-UHFFFAOYSA-N 470.372 2.461 30 10 JEEE Cn1cc(C(=O)Nc2nc(CNC(=O)OC(C)(C)C)cs2)nc1B1OC(C)(C)C(C)(C)O1 2267498125 HVDJKCDCVMSHQE-UHFFFAOYSA-N 463.369 2.453 30 10 JEEE CCc1nn(C)c(C(=O)N[C@@H]2CC[C@H]2NC(=O)OCc2ccccc2)c1B1OC(C)(C)C(C)(C)O1 2267508509 GFQCNPQNNFCOOD-RTBURBONSA-N 482.390 2.469 30 10 JEEE CC(C)C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2267523391 ASUBFONDHZUJLJ-HNNXBMFYSA-N 450.389 2.389 30 10 JEEE CC(C)(C)OC(=O)NCCOCCOCCC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 2268194597 RDABAPCRWMOTPI-OAQYLSRUSA-N 460.575 2.171 30 10 JEEE CC(C)(C)OC(=O)N1CC(OCC(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2268704941 DKHUCADTPZIGPC-UHFFFAOYSA-N 451.304 2.094 30 10 JEEE Cc1c(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281803378 WGWQUKVPYOMKKN-UHFFFAOYSA-N 462.400 2.499 30 10 JEEE CC(C)(C)OC(=O)N1CC(N(C(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)[C@H]2CCOC2)C1 2281809699 JFBMYWLXAXKKLF-AWEZNQCLSA-N 479.408 2.293 30 10 JEEE Cn1ncc(C(=O)N2CC3(CCCN(C(=O)OC(C)(C)C)C3)C2)c1B1OC(C)(C)C(C)(C)O1 2281825086 ORVFQJMZQLYKGI-UHFFFAOYSA-N 460.384 2.192 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)[C@@H]2COC[C@H]21 2281948317 UHENLSWKYSPPQI-RTBURBONSA-N 458.364 2.446 30 10 JEEE C[C@@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)C[C@@H](C)N(C(=O)OC(C)(C)C)C1 2281977080 KHISOVZFHAWHSM-HZPDHXFCSA-N 462.400 2.437 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2OCCN(Cc3ccccc3)[C@H]2C1 2281980278 JCEUMHBKWRPRNT-OALUTQOASA-N 469.416 2.476 30 10 JEEE Cc1ccnc(C(=O)N2C[C@H](NC(=O)C(F)(F)F)CC[C@H]2C)c1B1OC(C)(C)C(C)(C)O1 2281998947 VIJVFFOLGPVIRW-ZIAGYGMSSA-N 455.286 2.361 30 10 JEEE Cc1nc(C(=O)N2CCC[C@@](CO)(NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2282021432 MIOBVWIPFRLYAF-JOCHJYFZSA-N 481.424 2.243 30 10 JEEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1CN(Cc2ccccc2)CC1(C)C 2282173929 MZGMWLHXBWWQBS-SFHVURJKSA-N 453.396 2.002 30 10 JEEE CC(C)(C)OC(=O)NCCc1nnc(NC(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)o1 2282178991 JWXWNBSCWGSROL-UHFFFAOYSA-N 459.312 2.083 30 10 JEEE CC(C)(C)OC(=O)N1CC(CCO)(NC(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2F)C1 2282397641 PVUIQXBVBGOHQT-UHFFFAOYSA-N 464.343 2.227 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C(F)F 2282485936 NIYMMLIHJROINS-AEFFLSMTSA-N 460.334 2.215 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1COC[C@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn1C1CC1 2282547896 SURXXMJPJLHYHZ-SJORKVTESA-N 461.368 2.144 30 10 JEEE CC(C)[C@@H]1[C@H](NC(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2282559897 RTMRCGSZRBILJO-IAGOWNOFSA-N 462.400 2.483 30 10 JEEE Cc1nn(C)c(C(=O)N[C@]23CC[C@@H]2CN(C(=O)OC(C)(C)C)C3)c1B1OC(C)(C)C(C)(C)O1 2282564164 QGMSYPMWFGNWBK-CMJOXMDJSA-N 460.384 2.157 30 10 JEEE Cc1c(C(=O)N2[C@@H](C)CN(C(=O)OC(C)(C)C)C[C@H]2C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282592453 CXKRCLZICJZRSV-GASCZTMLSA-N 462.400 2.498 30 10 JEEE Cn1nc(C(=O)N2[C@H]3CCC[C@@H]2CN(C(=O)OC(C)(C)C)C3)cc1B1OC(C)(C)C(C)(C)O1 2282615387 ORHGZVGVYPWYHP-IYBDPMFKSA-N 460.384 2.333 30 10 JEEE CN(C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 2282615994 VEBANYWTGALWKN-GJZGRUSLSA-N 463.388 2.022 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H]2CN(C(=O)c3ncc(B4OC(C)(C)C(C)(C)O4)cn3)C[C@H]2C1 2282621242 PSXSBSOKPWMGQC-HZPDHXFCSA-N 458.368 2.105 30 10 JEEE CC1(C)OB(c2cnsc2C(=O)N2CC[C@@](CNC(=O)C(F)(F)F)(C3CC3)C2)OC1(C)C 2282625712 ZCAZJFUGMWSXKV-IBGZPJMESA-N 473.326 2.363 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)CCCO1 2282670056 ZUCUZWPFFKUEBA-MRXNPFEDSA-N 461.368 2.137 30 10 JEEE Cn1ncc(CNC(=O)OC(C)(C)C)c1C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2283976358 CBGYTENETPLJBN-UHFFFAOYSA-N 477.396 2.131 30 10 JEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H](CN(C)Cc1ccccc1)C(=O)O 2284408664 AYSWRBOUTJPPLO-KRWDZBQOSA-N 494.444 2.219 30 10 JEEE Cc1ccnc(C(=O)N(CCNC(=O)OC(C)(C)C)C[C@@H](C)O)c1B1OC(C)(C)C(C)(C)O1 2285396922 AOXWCUBSWODJKT-MRXNPFEDSA-N 463.384 2.037 30 10 JEEE Cn1cc(C(=O)NC[C@H](NC(=O)OC(C)(C)C)C(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2336902545 AUQPLMSDPOSLTN-HNNXBMFYSA-N 450.389 2.389 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(C)[C@@H](C)CCNC(=O)OC(C)(C)C)n1C 2337397777 HBTNURADTDRKSS-AWEZNQCLSA-N 450.389 2.403 30 10 JEEE Cn1cc(C(=O)N[C@@H]2C[C@@H]3C[C@H]2C[C@H]3NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2359268175 YHVKODSHECTFAI-XJNFMUPTSA-N 460.384 2.141 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NS(=O)(=O)c1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2359276943 AHZHMDSLVSOFIC-QANKJYHBSA-N 482.383 2.411 30 10 JEEE N#C[C@H]1C(=O)Nc2nc(N3CCC4(CC3)OCCO4)[nH]c(=O)c2[C@@H]1c1ccc(Br)cc1 72444371 AHPHEDIGLJJPRR-HUUCEWRRSA-N 486.326 2.099 30 10 JEEE C=CCn1c(=C(C#N)C(=O)NCCCOC(C)C)sc(=Cc2cc(C)c(OC)c(C)c2)c1=O 516830083 DCDQVKDPLSTMQH-UHFFFAOYSA-N 469.607 2.156 30 10 JEEE COC(=O)c1ccccc1NC(=O)CSc1n[nH]c(NN=Cc2cc([N+](=O)[O-])ccc2O)n1 1084594216 LHRIXTVKGYQRPA-UHFFFAOYSA-N 471.455 2.382 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2=O)s1 1147368340 YTSRWRTUPXSVEE-INIZCTEOSA-N 453.973 2.330 30 10 JEEE CC(C)N(C)S(=O)(=O)c1cccc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c1 1153857968 GMUIGKYVZLFFQL-WMZOPIPTSA-N 450.561 2.204 30 10 JEEE COC(=O)CS(=O)(=O)Cc1ccc(CNC(=O)Nc2cc(C)c(N(C)C)cc2C#N)cc1 1205941565 BGKHREOHNFASGT-UHFFFAOYSA-N 458.540 2.342 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCCS(=O)(=O)c1ccccc1 1286287769 DCCVXYYQPLUYDZ-INIZCTEOSA-N 455.540 2.328 30 10 JEEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1286353526 YGABRSXCKONPDP-UFYCRDLUSA-N 475.590 2.384 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCCN1C[C@H](C)O[C@H](C)C1 1286397735 PMYDJDHJZVILKW-BGYRXZFFSA-N 483.016 2.434 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CCN(C)Cc2ccccc2)CC1 1286490995 AAFYGBWETZGXEQ-UHFFFAOYSA-N 471.609 2.362 30 10 JEEE C#CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(CC(F)F)CC1 1286505389 YOYPJJJQUKCHFP-UHFFFAOYSA-N 459.526 2.347 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCC(=O)N1CCOCC1 1286518129 ZIQMQGHBYMFUTQ-XMMPIXPASA-N 484.988 2.103 30 10 JEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc2c(c1)OCCO2 1286688908 ULIZHSVDULUCOZ-NRFANRHFSA-N 491.614 2.375 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(OC)c(OC)c2)C1 1286809185 HATSWWYQRUBYKA-ZWKOTPCHSA-N 462.572 2.027 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](C)[C@H](OC)C1 1286815271 QEQYSLZQEYRYAC-XJKSGUPXSA-N 472.409 2.498 30 10 JEEE CC(=O)N1CCC(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CC(=O)NC(C)(C)C)CC1 1286850006 CTLCXBRELATOPQ-UHFFFAOYSA-N 451.575 2.426 30 10 JEEE CC[C@H](C)N(C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1291773290 FLUUUBVHNKNTKK-REWPJTCUSA-N 499.685 2.104 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1300282909 KEWWJQZJGWUPKF-HOJAQTOUSA-N 499.616 2.153 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1300283578 NNQSILDDZUWZLI-FXAWDEMLSA-N 453.547 2.254 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1300481666 BLWBSQSSPUNPGB-QGZVFWFLSA-N 495.447 2.148 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@]1(O)CCO[C@H]1C 1300574884 OBGVWDRTGQAFRH-SIBVEZHUSA-N 474.565 2.239 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CC2(O)CC(OCC)C2)CC1 1300731785 VCFLIIBSIKMXGW-UHFFFAOYSA-N 495.624 2.370 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1Cc1cccc(OCC(=O)N(C)C)c1 1300788449 ZOSNPJLWEUSENZ-CLJLJLNGSA-N 481.597 2.438 30 10 JEEE C=C(C)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1300963606 GBIILPDQJNBNPI-UHFFFAOYSA-N 479.589 2.066 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(CC)CC1 1301577206 LOXNRVHHNHRPBO-UHFFFAOYSA-N 456.576 2.148 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CC)C1CC1 1301589853 YTVACFOLZCHSAP-KRWDZBQOSA-N 469.608 2.176 30 10 JEEE Cc1ccc(NC(=O)c2nnc(N(C)[C@@H](C)CC#N)n2CC2(C(N)=O)CCOCC2)cc1C 1304377651 HMUZYIOPMJKSRJ-KRWDZBQOSA-N 453.547 2.168 30 10 JEEE CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC1(SC)CCOCC1 1314389032 GQJOTNMURSNRFI-UHFFFAOYSA-N 457.604 2.320 30 10 JEEE COC[C@H](Cn1c(Cc2cccnc2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1)OC 1315801753 DRVGNYPLSFKQJC-FQEVSTJZSA-N 465.533 2.263 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCn1cc(Cl)cn1 1358877609 HSNWVZYVCHUZQQ-OAHLLOKOSA-N 461.979 2.203 30 10 JEEE C#CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1358913544 QQHXBFJEPMKJHM-MOPGFXCFSA-N 495.646 2.403 30 10 JEEE C#CCCCn1c(-c2cnccn2)nnc1N1CCN(CC(=O)N(C)C2CCCCC2)CC1 1358927014 JVRHKTACTDBVFI-UHFFFAOYSA-N 450.591 2.062 30 10 JEEE C#CCN(c1nnc(-c2cccc3cccnc23)n1CCSCCCO)[C@H]1CCS(=O)(=O)C1 1358960068 WFCCMEWGYOEGMA-IBGZPJMESA-N 485.635 2.236 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CC1(CC)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1358965119 OGHXHHTZLCECRZ-HXUWFJFHSA-N 457.600 2.097 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@]1(N(C)C)CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1358965463 VLSUDVNMZVNRBJ-XTJBDQBJSA-N 484.670 2.401 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(C(N)=O)CCCC1 1358994138 GEVUJDJKXBMASP-LJQANCHMSA-N 484.601 2.095 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@](C)(O)CCOC)CC1 1359041978 NRBZAGUTDUGLSJ-QHCPKHFHSA-N 459.978 2.352 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2Cc2ccc(OC)c(OC)c2OC)CC1 1359043984 QBMKWKOMZPFBLG-UHFFFAOYSA-N 490.564 2.380 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(Cn2nc(C)cc2C)n1CCNS(=O)(=O)c1ccc(C)s1 1359073635 YSTBTQXVRDPQLA-JOCHJYFZSA-N 487.655 2.480 30 10 JEEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC2(CC1)COC(=O)N2 1359122499 XTABDTNPUOGYHD-INIZCTEOSA-N 462.551 2.241 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 1359133017 KFIFMVPOGKWILK-PZJWPPBQSA-N 493.674 2.248 30 10 JEEE C=CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCN(CC(=O)N(C)C)CC1 1359214010 OWDQXAWDUICIQA-UHFFFAOYSA-N 492.628 2.241 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(c2ccnn2C)CC1 1359304182 PGWJHTLFFOLCDV-UHFFFAOYSA-N 460.542 2.148 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Br)c3)n2CCCNS(C)(=O)=O)C1 1359312735 ADPKLJQHGLZVJA-QGZVFWFLSA-N 484.420 2.428 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)[C@H]1CC[C@@H](SCC)C1 1359326924 NEGNHIGKQGEZSA-DLBZAZTESA-N 455.650 2.225 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCC(Nc2cccnn2)CC1 1359329565 NHLPRIHEHAPUMB-UHFFFAOYSA-N 483.598 2.425 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@](C)(OC)C1 1359334759 PXZLZXKOZUUDHZ-QFIPXVFZSA-N 459.572 2.335 30 10 JEEE CC(C)NC(=O)Nc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@@](F)(C#N)C2)cc1 1360303852 AKMSPCRCNYRJCR-HTAPYJJXSA-N 454.510 2.249 30 10 JEEE Cc1ccc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)cn1 1492200553 DUALDGYMWAZILS-HXUWFJFHSA-N 452.540 2.104 30 10 JEEE CCO[C@]1(c2nnc(N(C)Cc3ccc(C#N)cc3)n2CCC2(O)CCOCC2)CCOC1 1502634623 CZSGVALUALESOH-XMMPIXPASA-N 455.559 2.370 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1(OCCOC)CCOCC1 1507524381 BAQSZRVTYDTXFP-SFHVURJKSA-N 456.543 2.386 30 10 JEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2ncccc2C#N)CC1 1507593468 POAQNVPIEWMSKH-UHFFFAOYSA-N 460.567 2.276 30 10 JEEE C#CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCCN(CC)S(C)(=O)=O 1507612986 XOMSASWRZMKZRL-UHFFFAOYSA-N 482.651 2.134 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CCc1noc(CC)n1)[C@H]1CCS(=O)(=O)C1 1507628398 OEKGBLYKWMRKSR-IBGZPJMESA-N 468.583 2.322 30 10 JEEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1CCN1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 1507638783 GOCJGBDRVSLONN-HXUWFJFHSA-N 490.029 2.399 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2Cc2c(CC)nn(C)c2OC)CC1 1507723073 TVPMTGXGIPCFPB-UHFFFAOYSA-N 493.612 2.460 30 10 JEEE C=C(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1507836407 JTZQLBHBJSHQNI-RTBURBONSA-N 478.619 2.413 30 10 JEEE C=CC[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCN1CCOCC1)c1ccccc1 1507923950 GIKGZIHMJZQFDF-FGZHOGPDSA-N 473.643 2.309 30 10 JEEE C=CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1507943013 YLRGYGNUPPPGOG-QGZVFWFLSA-N 466.546 2.460 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CC1 1507996900 LXVDYTWLZXDWEQ-HXUWFJFHSA-N 461.588 2.222 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1508073688 LUHIUDTYLCCMNU-CQSZACIVSA-N 470.883 2.406 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H](C)c1ccccc1 1508145772 PGOKVLLEUJXSOQ-HKUYNNGSSA-N 466.629 2.021 30 10 JEEE C[C@@](O)(Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1)c1ccco1 1510233101 FDFIZDVSBUMWPE-PGRDOPGGSA-N 455.540 2.331 30 10 JEEE Cc1ccc([C@H](Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@@H](C)CC(N)=O)N2CCOCC2)o1 1510718390 FVRFGKXFYMWWLM-UWJYYQICSA-N 477.569 2.492 30 10 JEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)NCc2ccc(C)cc2)CC1 1539120696 YMXMBZRZPKFUOD-QFIPXVFZSA-N 483.638 2.435 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1CC1([S@@](C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1539206564 RJAAWKBKJWPRNO-HEJPQYQCSA-N 498.577 2.084 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1CCc2ccccc2C1 1539368802 CDLJJCORRBILLN-OAQYLSRUSA-N 455.628 2.477 30 10 JEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(F)c(COC)c1 1539409298 VXOAZQYJAXINTA-UHFFFAOYSA-N 455.490 2.426 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCOC(C)C)CC1 1539474352 PPWKSGIBZMVVRC-UHFFFAOYSA-N 453.543 2.107 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cnn(-c2ccccc2)c1 1539670043 WOCOHIMJVQCDRS-OAQYLSRUSA-N 485.614 2.247 30 10 JEEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@]2(CCc3ccccc32)C1 1539731029 WDUCEDNPHCCALX-FDDCHVKYSA-N 475.615 2.159 30 10 JEEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1539986452 ZAXMLSLNXPUERX-JOCHJYFZSA-N 460.604 2.124 30 10 JEEE C=CCCOCCn1c(-c2cccc3cccnc23)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1540029037 XAWFIRDOUAWQQF-UYAOXDASSA-N 451.527 2.446 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c([C@H]2CCOC2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1)C(C)C 1540152438 UPHQHKLEZMTHNL-WOZUAGRISA-N 458.607 2.415 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1540872137 DKODNTQVGUFHRE-UHFFFAOYSA-N 487.626 2.117 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@H](N2CCCC2=O)C1 1540897220 DKHPXWZQJRZBBZ-HKUYNNGSSA-N 491.589 2.359 30 10 JEEE CC(C)NS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H]1[C@H]1CCCO1 1541710142 DELGTIZUUCKSDN-VQTJNVASSA-N 458.588 2.292 30 10 JEEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1587718988 SBVCVMAZIZPVNM-HXUWFJFHSA-N 498.653 2.494 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccc(COC(C)(C)C)c2)CC1 1588741924 KVJVXXMHBHOJAU-IBGZPJMESA-N 488.658 2.007 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCCNC(=O)C2CCC2)CC1 1588761829 BEFOVEOBGRJVTL-UHFFFAOYSA-N 466.586 2.024 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC2(O)CCOCC2)CC1 1588871802 QWMNJNSZHVPGGO-UHFFFAOYSA-N 467.614 2.451 30 10 JEEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1589089500 SGQGTXPNZIZZCW-HXUWFJFHSA-N 459.689 2.216 30 10 JEEE C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C(F)F)C1 1589405395 RAZQZJUUOMRIRO-STQMWFEESA-N 484.367 2.001 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1589556443 CIBWPWAVALNMJK-UPVQGACJSA-N 494.640 2.332 30 10 JEEE C=C(C)Cn1c(N2CCN(c3nccc(OCC)n3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1593683118 ILFCGGOAPWODCD-HSZRJFAPSA-N 457.579 2.410 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@]1(OC)CCOC1 1595099983 LTNPZFWTDQXGBX-NZQKXSOJSA-N 471.583 2.050 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@H](Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@H](C#N)C2)C1 1597461996 HRKVNXHOCBRLGQ-ZWKOTPCHSA-N 496.572 2.301 30 10 JEEE Cc1nn(C)c(N2CCN(c3nnc(CC(C)(C)C)n3C[C@@H](C(C)C)N3CCOCC3)CC2)c1C#N 1612469876 HGTAFAKXYJCJIP-QFIPXVFZSA-N 497.692 2.464 30 10 JEEE CCS(=O)(=O)N(C)CCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@](C)(C#N)C1 1617352425 BBCSKFFRLCMFPG-OAQYLSRUSA-N 493.659 2.071 30 10 JEEE CCS(=O)(=O)NCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@](F)(C#N)C1 1617383248 GADYNAORYORUMP-UWJYYQICSA-N 464.567 2.416 30 10 JEEE Cc1cc(NC(=O)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)c(C#N)cc1N(C)C 1625386081 GOINPNOUEXAPLN-UHFFFAOYSA-N 451.556 2.352 30 10 JEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCCN([C@@H](C)c3ccccc3F)C2=O)cc1 1628258379 XAASYCCNPUIGQA-KKSFZXQISA-N 457.527 2.219 30 10 JEEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCN(CC(=O)NC4CCCCC4)CC3)n[nH]2)c1C 1632693173 VSCJBZLKNQANNQ-UHFFFAOYSA-N 453.591 2.283 30 10 JEEE C#CCN1CCC(NC(=O)CCNS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 1635159824 FGUAQLOSAJTPSU-UHFFFAOYSA-N 451.898 2.241 30 10 JEEE C#CC[C@H](NCC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1)c1ccccc1 1645099832 FHGHKOIZNNEYBH-QHCPKHFHSA-N 453.564 2.076 30 10 JEEE N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCOc3ccc(Br)cc3C2)c1 1654513060 FAFPFPMAYDZALE-UHFFFAOYSA-N 450.314 2.020 30 10 JEEE CCNS(=O)(=O)c1ccc(CNS(=O)(=O)c2ccc(C#N)c(Br)c2)cc1 1660779296 COKCQCJGRUFPHO-UHFFFAOYSA-N 458.359 2.097 30 10 JEEE C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cnc2c(Br)csc2c1 1661546170 YSIYQVNNWOLOCN-JTQLQIEISA-N 451.389 2.423 30 10 JEEE C#CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CC(F)(F)C1(OC)CCOCC1 1689961450 XYNQGGVPEPEPPT-UHFFFAOYSA-N 458.469 2.494 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H](c1cccc(OC)c1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1689986688 VHAXAXCMYPDDLE-NFBKMPQASA-N 494.621 2.278 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(F)cc1F)[C@H]1CCS(=O)(=O)C1 1689997105 WAIJRTUNDYUZRQ-IBGZPJMESA-N 474.537 2.093 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCn1cc(Br)cn1 1690034392 GRDBDOUWDDHDPY-OAQYLSRUSA-N 475.391 2.441 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1CCC1CCN(CC(F)(F)F)CC1 1690045348 JYAXXALERXCMRN-SFHVURJKSA-N 450.509 2.357 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCCn2ccnn2)CC1 1690138336 ZFDCOZOTMMWBDS-GOSISDBHSA-N 480.548 2.205 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2C[C@@H]2COCCO2)CC1 1690140013 INDMCPVKWXXRRK-OAQYLSRUSA-N 497.596 2.124 30 10 JEEE C#CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1690155115 GDCYCXVFXAFCLK-DLBZAZTESA-N 475.958 2.342 30 10 JEEE C#CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCO[C@@H](C(C)C)C1 1690169679 KMTDBFSEOWGHMM-GOSISDBHSA-N 462.645 2.466 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1690227721 FXYHYNCKOFHNJC-HZPDHXFCSA-N 476.441 2.189 30 10 JEEE C=C(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1690292613 GIHJMUDPGSYMPF-UHFFFAOYSA-N 450.547 2.258 30 10 JEEE C=C(C)COCCn1c(C2CCCC2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1690311586 OQPHXOMYDJOQOU-UHFFFAOYSA-N 464.592 2.168 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H](C)C[C@@H]1CC 1690662616 BMMYDTQDOXRWFL-WMZOPIPTSA-N 460.604 2.122 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 1690667917 MJRRWFRWZHQLPB-OAHLLOKOSA-N 468.949 2.479 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(F)c(Cl)c2)C1 1690700654 VTSICEKZRNATPH-APWZRJJASA-N 499.996 2.233 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@@]1(N(C)C)CCSC1 1692538120 GFEHMXUJZFKFSN-VWLOTQADSA-N 496.685 2.047 30 10 JEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1cccc(C(C)(F)F)c1)[C@H]1CCS(=O)(=O)C1 1705559202 UHXCVUMFUXRASB-IBGZPJMESA-N 491.564 2.301 30 10 JEEE C#CCN(c1nnc(Cc2c[nH]c3ccccc23)n1CCCOCC)[C@H]1CCS(=O)(=O)C1 1705570855 ULZLVAWKCKGLQG-IBGZPJMESA-N 455.584 2.404 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1ccc(C)cc1F)[C@H]1CCS(=O)(=O)C1 1705571108 WUXGPEDYWGEJMK-FQEVSTJZSA-N 453.543 2.386 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCc1noc(CC)n1 1705596292 ZYCQGARLVROMPC-UHFFFAOYSA-N 470.537 2.326 30 10 JEEE C#CCSCCn1c(COc2ccccc2OCC)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1705666529 VJFIFGZBTMRLQZ-QHCPKHFHSA-N 455.584 2.481 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(CC(=O)NCC)CC1 1705692224 COVQZYHHXRHJNI-SJLPKXTDSA-N 483.455 2.363 30 10 JEEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(C)n(C)c1=O 1705844025 UKTYWTUANLUYBE-SFHVURJKSA-N 458.563 2.264 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCc2ccc(OCC)cc2C1 1705894706 IGBFYUKJHQYQNH-UHFFFAOYSA-N 461.526 2.189 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(Cc1ccc(F)cc1)C1CC1 1705936190 LKMAIZUNCFJMEC-QGZVFWFLSA-N 482.603 2.089 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCCN(C(=O)c2cccc(C)c2)CC1 1705937080 IAAVZEHYQRNMGA-UHFFFAOYSA-N 471.627 2.492 30 10 JEEE CC(=O)NC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)c2c(C)noc2C)CCO1 1706054866 HWFIEFPCVSZYAP-ZHRRBRCNSA-N 493.568 2.479 30 10 JEEE CCCn1nc(-c2nnc(N(C)[C@H](C)CC#N)n2CC(=O)NC(C)C)c2ccccc2c1=O 1709803393 HBYQKNXYHGIJRE-MRXNPFEDSA-N 450.547 2.328 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(Br)ccc1OC 1722281494 YZAWGTNIPZMDCQ-CHWSQXEVSA-N 470.393 2.166 30 10 JEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 1722323338 CXHFFGGBTXQWLM-SJORKVTESA-N 468.624 2.137 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1cccc(CN(C)CC)c1)[C@@H]1CCS(=O)(=O)C1 1722369648 CZOXJJOEJKVQFY-FGZHOGPDSA-N 471.627 2.256 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCOC2)nnc1N1CCC(C(=O)NCCCOC)CC1 1722506739 GAHVLMNEHGUUSK-HKBOAZHASA-N 461.607 2.132 30 10 JEEE C=C(C)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1722523835 UTGAHLXWQQGJNR-HXUWFJFHSA-N 460.648 2.088 30 10 JEEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1722701030 CWPIDLKKKFKTDC-FQEVSTJZSA-N 452.603 2.497 30 10 JEEE CN(C)C(=O)CCCn1c(-c2ccc(F)cc2Br)nnc1N1CCO[C@@H](C#N)C1 1729300430 CLZWEPGNZWPTKN-AWEZNQCLSA-N 465.327 2.444 30 10 JEEE CN(C)CC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1729331939 GMPNGTCCZWVTNA-UHFFFAOYSA-N 482.608 2.439 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1C[C@H]1CN(Cc2ccccc2)CCO1)[C@@H]1CCS(=O)(=O)C1 1740617373 QBWFOPIKVPVHEN-YMPZKCBVSA-N 485.654 2.319 30 10 JEEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCCSC1)[C@H]1CCS(=O)(=O)C1 1740625407 QKHDXEQHGZSLTB-IRXDYDNUSA-N 493.680 2.040 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)c(Br)c1 1740686156 OYWANJFOMWNVHS-INIZCTEOSA-N 497.415 2.086 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CC2(O)CCOCC2)CC1 1740699779 SVEUOBQDXPURPM-UHFFFAOYSA-N 480.396 2.461 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2Cc2ncccc2N(C)C)CC1 1740703026 DJEXOXJUEVDSDS-UHFFFAOYSA-N 473.581 2.429 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC2(N(C)C)CCC2)CC1 1740704336 NUVDDNANRDAJRI-UHFFFAOYSA-N 480.613 2.412 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](C)Oc2ccc(Cl)cc2)CC1 1740705401 GFFOHKAXNWEXEX-OXJNMPFZSA-N 484.988 2.316 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CC(F)(F)Br)CC1 1740705632 KASOXLOUJYXWND-AWEZNQCLSA-N 460.323 2.126 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 1740751198 ZBGSKFUJXSOGNQ-SBHAEUEKSA-N 461.607 2.419 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C)nnc1N1CCN(S(=O)(=O)N(CCC)CCC)CC1 1740754568 UNBMKZSWGZMOQS-PMACEKPBSA-N 454.641 2.057 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCN(CC(C)C)C(=O)C2)nnc1[C@]1(OCC)CCOC1 1740765633 AZNRRUZZPVOUOP-PTLVVNQVSA-N 461.607 2.216 30 10 JEEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1740795216 QBRMSXXFODMCKI-FCHUYYIVSA-N 468.602 2.113 30 10 JEEE C=CCCCn1c(N2CCN([C@H](C)C(=O)N3CCCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1740882063 YZVUVBBEAHXFNO-PXDATVDWSA-N 474.650 2.418 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@](C)(O)C2CCCCC2)C1 1740972946 PDHYGAFKCBZIGL-YRISNDGFSA-N 455.625 2.001 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](NC(=O)CCC)C1 1740988336 AZZWNMLQSXSGBB-FQEVSTJZSA-N 470.599 2.303 30 10 JEEE CC(C)N1CCN(C2CCN(c3nnc(-c4cccc(C#N)c4)n3CCC(=O)N(C)C)CC2)CC1 1741631276 BJINGEWOKBISDC-UHFFFAOYSA-N 478.645 2.290 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2C[C@H]2CCCCS2(=O)=O)c1 1748692681 LEQWOANSDBEDJY-PZJWPPBQSA-N 485.610 2.196 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCc1ccc(F)cc1Cl)[C@H]1CCS(=O)(=O)C1 1748802721 RTZDRZBNKHDKLH-KRWDZBQOSA-N 481.981 2.078 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1ccc(C)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1748811800 LQOZRGLJSMOBOO-FQEVSTJZSA-N 451.552 2.332 30 10 JEEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1CC1(C(N)=O)CCCC1)[C@H]1CCS(=O)(=O)C1 1748820936 JQYGBUVBQFRBPT-FQEVSTJZSA-N 499.637 2.146 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(NC(C)=O)nc1 1748941117 XTCZLNHNHMRLEF-INIZCTEOSA-N 499.572 2.069 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H](C)Oc2ccc(C)cc2)CC1 1748978548 MHDAKMKRFYUZDN-OFVILXPXSA-N 453.587 2.461 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2(SC)CCOCC2)CC1 1748979531 DBLBHTXKMWXAKF-UHFFFAOYSA-N 489.667 2.016 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1749175564 IRLPDXGRHOEDCC-MJGOQNOKSA-N 475.615 2.292 30 10 JEEE C=C(C)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC[C@@H](C(=O)NC)C1 1749200813 WPOWXGOKARRMGN-OAQYLSRUSA-N 451.619 2.181 30 10 JEEE C=C(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1749209497 ZYZUGFGEFYYLNM-SFHVURJKSA-N 489.621 2.099 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc(-c2ccc[nH]2)n1CC1(O)CCS(=O)(=O)CC1 1749583887 CBSOYEVYTUUZES-UHFFFAOYSA-N 455.584 2.448 30 10 JEEE C=CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1749630664 XAKPSJSWBADTKF-UHFFFAOYSA-N 453.595 2.268 30 10 JEEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1749672219 SZFLMPOLPBKDTH-INIZCTEOSA-N 461.513 2.224 30 10 JEEE C=CCNC(=O)Cn1c(N2CCO[C@@H](C(C)C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1749681454 BMWJNKCAQLLCGN-FGTMMUONSA-N 462.595 2.212 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Br)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1749729447 JULOZIIDLSDTDM-HXUWFJFHSA-N 494.415 2.025 30 10 JEEE CS(=O)(=O)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC[C@@H](F)C2)CC1 1750208073 FJSSOKRZLFTLJC-RTBURBONSA-N 476.578 2.339 30 10 JEEE CC(C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1750568967 HNOVCWQKPOLIKL-UHFFFAOYSA-N 469.553 2.182 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2C[C@@H]2CCOC[C@H]2OC)c1 1760124845 BSEDTHJPQPGSGF-RBBKRZOGSA-N 460.538 2.448 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(CC)(CC)OC)c1 1760128687 POXIZOAHSJNHRI-IBGZPJMESA-N 487.626 2.442 30 10 JEEE C#CCN(c1nnc(-c2ccc(OCC)c(OC)c2)n1Cc1cnn(CC)c1)[C@H]1CCS(=O)(=O)C1 1760184528 JDQCTYUQBKVHDV-FQEVSTJZSA-N 498.609 2.244 30 10 JEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1CCN1CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1760191324 FNSCXUFDGQHCIH-FYYLOGMGSA-N 499.681 2.431 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CCCN1CCCCCC1=O 1760216301 ILRAIULLJSCKKE-UHFFFAOYSA-N 450.543 2.261 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CCCCC3)n1CC1(O)CCS(=O)(=O)CC1 1760245014 OJQMZHFDIFJVLZ-UHFFFAOYSA-N 492.667 2.301 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](OCC)C1 1760412648 PBVZHOFFTTXOJQ-ZWKOTPCHSA-N 455.625 2.219 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@@H](C(=O)NC)C1 1760516618 ROAORHPIMOQGFF-RBUKOAKNSA-N 454.575 2.300 30 10 JEEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H](c2ccco2)C1 1760557632 SATDMOLHQXPSHV-INIZCTEOSA-N 475.596 2.457 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@@H](COC(C)C)C1 1760557993 COHPYBOTAVKCRE-VAMGGRTRSA-N 484.663 2.428 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2C[C@H](O)CC3(CCCC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1760558301 LQTPHXPEVRRORC-XXBNENTESA-N 482.647 2.051 30 10 JEEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCOc1ccc(F)c(F)c1 1763095415 DPTZEQNECYSRCU-UHFFFAOYSA-N 456.501 2.438 30 10 JEEE CC(C)Cn1cc(C(=O)Nc2nnc(CCC(=O)Nc3ccc(C#N)cc3)c(O)n2)ccc1=O 1860871898 AAMUZLNUJZTGAA-UHFFFAOYSA-N 461.482 2.090 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCO)[C@H]2c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1F 1862648302 XOEZMYSTXLPUEW-IBGZPJMESA-N 474.397 2.084 30 10 JEEE CN1CCN(c2ccc(-n3nnc(C#N)c3NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)cc2)CC1 1870153850 JKZYBDPQFLXBMG-NYYWCZLTSA-N 458.482 2.451 30 10 JEEE CCCCCCCOc1cn(CCOCCO)c(CN2CCN(c3ncccn3)CC2)cc1=O 1870414363 MWOSGAOBMCEUMI-UHFFFAOYSA-N 473.618 2.319 30 10 JEEE N#Cc1c(NC(=O)COc2nonc2CC(=O)NCCCCN2CCCC2)sc2c1CCC2 1872649951 VPURKHKMFFVCDZ-UHFFFAOYSA-N 472.571 2.044 30 10 JEEE N#Cc1c(NC(=O)COc2nonc2C(=O)NCCCCN2CCCC2)sc2c1CCC2 1872707384 OZDVRJCIZSFOEZ-UHFFFAOYSA-N 458.544 2.115 30 10 JEEE C=CCn1c(C(=O)N2CCC3(CC2)OCCO3)cc2c(NCCCn3ccnc3)ncnc21 1875231471 ORDFSCBBJJWQGN-UHFFFAOYSA-N 451.531 2.295 30 10 JEEE Cc1cccc(N2C[C@@H](C(=O)N3CCC(OCC#CCN4CCN(C(C)C)CC4)CC3)CC2=O)c1 1889545183 XRARCBDAWPZPLM-DEOSSOPVSA-N 480.653 2.385 30 10 JEEE C#CCN(C(=O)[C@H]1C[C@@H](O)CN(C(=O)OC(C)(C)C)C1)C1CCN(C(=O)OC(C)(C)C)CC1 2136212870 MQOLRFZWMLOCLV-PKOBYXMFSA-N 465.591 2.466 30 10 JEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](C)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 2222528716 FIVFJEIJZIWFTH-QQMNAOGKSA-N 453.580 2.417 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)NC1CN(C(=O)OCc2ccccc2)C1 2248970366 SBEDAXNKQDVEMX-UHFFFAOYSA-N 451.332 2.440 30 10 JEEE CC(C)(C)OC(=O)NC[C@H](CO)NC(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1Cl 2255545875 WZGMKTJVTJNURH-CYBMUJFWSA-N 454.760 2.255 30 10 JEEE CC(C)(C)OC(=O)N1CC(CCO)(NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2255708110 FTPCLZUIEGIRTG-UHFFFAOYSA-N 452.382 2.149 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CO)CNC(=O)c1cccc(Cl)c1B1OC(C)(C)C(C)(C)O1 2256088195 DVUWVTHCJVSJRN-CYBMUJFWSA-N 454.760 2.255 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(CNC(=O)[C@H](O)CCNC(=O)OC(C)(C)C)s1 2256671370 RTCQWKVHMNAEAO-OAHLLOKOSA-N 454.398 2.248 30 10 JEEE CN(Cc1sccc1B1OC(C)(C)C(C)(C)O1)C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C 2256671850 YUDBBJMHDSRZQN-HNNXBMFYSA-N 454.398 2.281 30 10 JEEE Cc1csc(CNC(=O)[C@H](O)CCNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2256734225 TVEWYFDKEOHBKO-CQSZACIVSA-N 454.398 2.248 30 10 JEEE CC(C)(C)OC(=O)NCCO[C@H]1CCN(C(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C1 2267152435 MYDJZPBUKUDEPP-AWEZNQCLSA-N 467.397 2.198 30 10 JEEE CC1(C)OB(c2csc(S(=O)(=O)NC[C@H]3CN(Cc4ccccc4)CCO3)c2)OC1(C)C 2267372513 PKIQPDHHKYFYKE-IBGZPJMESA-N 478.445 2.227 30 10 JEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1CO 2267520069 JZTKHWRQSISOHJ-HNNXBMFYSA-N 466.409 2.410 30 10 JEEE Cc1sc(C(=O)NC2(CO)CN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1C 2267563281 NHHZMKHWXDXVNF-UHFFFAOYSA-N 466.409 2.376 30 10 JEEE CCOC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2268612331 GIFNQSXUMKKMIQ-OAHLLOKOSA-N 453.320 2.388 30 10 JEEE COc1ccc(NC(=O)[C@@H](O)[C@@H](C)NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2268633328 BMQBMRVOUSXDGW-DYVFJYSZSA-N 450.341 2.207 30 10 JEEE C[C@H](NC(=O)[C@@]1(NC(=O)OC(C)(C)C)CCOC1)c1nscc1B1OC(C)(C)C(C)(C)O1 2268645379 UOPAVSVVORDCJP-YEJXKQKISA-N 467.397 2.303 30 10 JEEE CCc1nn(C)c(C(=O)N[C@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)c1B1OC(C)(C)C(C)(C)O1 2281990233 KGSTYRCZIJEBJU-PSLXWICFSA-N 460.384 2.021 30 10 JEEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1CCNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2282025114 KNUDJRJMSBHOGO-CVEARBPZSA-N 460.384 2.399 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@@]2(NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2282025493 PJCIMTNTDRJDNJ-NPMXOYFQSA-N 458.368 2.295 30 10 JEEE C[C@H]1CC[C@H](NC(=O)C(F)(F)F)CN1C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2282050775 DGSJZILPZWIAHH-AAEUAGOBSA-N 459.249 2.192 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@H]1CNC(=O)c1cccc(F)c1B1OC(C)(C)C(C)(C)O1 2282405869 CCJZQQSSZXVVNP-OAHLLOKOSA-N 464.343 2.491 30 10 JEEE Cc1c(C(=O)N2CCCN(C(=O)OC(C)(C)C)C[C@H]2C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282553415 XWIWPGVVWJUDKN-OAHLLOKOSA-N 462.400 2.499 30 10 JEEE CC1(C)CN(Cc2ccccc2)[C@H](CNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CO1 2282592271 AUCWWIFMMWRSET-GOSISDBHSA-N 454.380 2.118 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2Cl)C1 2282608721 YLFFAGOAIXGPTF-HZPDHXFCSA-N 481.786 2.134 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)CC(F)(F)F 2282624638 NDDGHTQQBXPXLI-ZDUSSCGKSA-N 474.289 2.351 30 10 JEEE CN(C[C@]1(O)CCN(Cc2ccccc2)C1)C(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282677353 XYQIGXRGBRBUAP-RUZDIDTESA-N 451.376 2.090 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C[C@@H](O)C1 2283944115 JDDSEGMXTVEQNO-DZGCQCFKSA-N 465.331 2.076 30 10 JEEE Cc1nc(NC(=O)[C@H]2CO[C@@H](C)CN2C(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2283953942 ZLFRTUNSKKIAER-XJKSGUPXSA-N 462.356 2.047 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@H](C(=O)N[C@H]3CCC=C3B3OC(C)(C)C(C)(C)O3)O[C@@H]2C1 2284120039 TXQBKPVWELXIOM-WNRNVDISSA-N 464.368 2.226 30 10 JEEE Cc1cc(CNC(=O)C2(O)CC(NC(=O)OC(C)(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2289462242 ZVJGSPIKOZKGJD-UHFFFAOYSA-N 460.380 2.329 30 10 JEEE C#C[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=NOCC(=O)N[C@@H](CO)C(=O)O)CC[C@]4(C)[C@@H]3CC[C@@]21C 2297639336 LFHYHJHRXQUQHI-BILZMGRNSA-N 472.582 2.248 30 10 JEEE COc1cc(C=Nn2c(CNC(C)=O)nnc2SCC(=O)Nc2ccccc2)cc(OC)c1O 2330727028 MQMCWXLLBQGNOA-UHFFFAOYSA-N 484.538 2.250 30 10 JEEE Cn1cc(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2336902546 AUQPLMSDPOSLTN-OAHLLOKOSA-N 450.389 2.389 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CS(C)(=O)=O)C(=O)Nc1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2360548406 DGAPQIJKLZYFJJ-MRXNPFEDSA-N 486.371 2.001 30 10 JEEE COC[C@]1(C)C[C@H](NC(=O)OC(C)(C)C)CN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2364215852 XKHJYUSGOONWEB-HJPURHCSSA-N 463.384 2.458 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)n1 2366675777 ZWKSMKTYCIDVEG-ZOBUZTSGSA-N 460.384 2.330 30 10 JEEE CN(C)c1nc(N)c2c(N)nc3c(c2c1C#N)CC(=O)N3C(=O)NC12CC3CC(CC(C3)C1)C2 12541251 JPQGWUOWGXSHCP-UHFFFAOYSA-N 460.542 2.299 30 10 JEEE CC(=O)OC[C@]12C(=O)[C@H](O)[C@H](C)[C@]3(C[C@H](c4ccoc4)O[C@@H]3OC(C)=O)[C@@H]1CCC[C@@]21CO1 256069500 MVZLPYVWRQUGCU-PZYIEOKNSA-N 462.495 2.315 30 10 JEEE biogenic C#C[C@@H]1CCCN(C(=O)c2cc(S(=O)(=O)NC[C@H]3CCCO3)ccc2Br)C1 1163599534 UMBWQJZQSVIAMP-HUUCEWRRSA-N 455.374 2.392 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2OC)CC1 1246895748 AZUMPBDIEJSLGH-BEFAXECRSA-N 457.980 2.346 30 10 JEEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)NCCNC(=O)c1ccc(Br)cn1 1252944606 DPJNSMXHOVOHKD-UHFFFAOYSA-N 451.321 2.447 30 10 JEEE C#CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@@H](C(=O)NC)C1 1286321325 MZNRGOGQJNUGTE-QGZVFWFLSA-N 457.604 2.004 30 10 JEEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H](C(C)C)N1CCOCC1 1286369271 JZIPGLXZGDISLW-NRFANRHFSA-N 463.586 2.101 30 10 JEEE C#CCN(c1nnc(-c2ccccc2F)n1CC1(C(=O)NCC)CCC1)[C@@H]1CCS(=O)(=O)C1 1286387278 PRFNIKPRHPJHKI-QGZVFWFLSA-N 473.574 2.017 30 10 JEEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCC(F)(F)C1)[C@@H]1CCS(=O)(=O)C1 1286393548 FHEOEQQEIRZMPZ-JKSUJKDBSA-N 497.593 2.332 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2c(CC)noc2C)CC1 1286491792 BNQBSBJHYKHKMD-UHFFFAOYSA-N 464.574 2.013 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)Nc2c(C)cccc2C)CC1 1286606300 LZDQUNNDGGPOHM-NRFANRHFSA-N 495.628 2.199 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1n[nH]c(C)n1 1286758174 FZASPRKSFRUYGS-QGZVFWFLSA-N 458.567 2.434 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H]1c1csc(C)n1 1286780072 AQUAZVLCXFWIIM-MRXNPFEDSA-N 452.544 2.334 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCOc2cccc(F)c2)C1 1286810793 VTPNKYRSXQBKTD-VQIMIIECSA-N 450.536 2.180 30 10 JEEE C=CCSCCn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1286826018 UKCMYXHQADBRBU-CZUORRHYSA-N 484.420 2.326 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCN(c2ccccc2F)C1 1286967992 IFTXGZHLJIDVDR-FGTMMUONSA-N 460.579 2.442 30 10 JEEE C[C@H]1COCCN1CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](C(F)(F)F)C1 1291306496 AGTVKHDOGWJDTA-YJBOKZPZSA-N 450.465 2.305 30 10 JEEE CCN(C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCc2nc(C)no2)CC1)S(C)(=O)=O 1295265895 BAUSGQDBWIHZJP-UHFFFAOYSA-N 498.613 2.391 30 10 JEEE C#C[C@@H]1CCCN(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)C1 1300006951 FZCGLHOHELVFAF-HXUWFJFHSA-N 459.612 2.295 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCc1cc(C)ccc1OC)[C@H]1CCS(=O)(=O)C1 1300497333 YIDRIKSOJMKLNO-RTWAWAEBSA-N 472.611 2.359 30 10 JEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](C)N1CCC[C@@H](C)C1 1300527052 AIZXLQZIQOLPMQ-WOJBJXKFSA-N 467.643 2.431 30 10 JEEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CCc2nn(C)c(=O)cc2C1 1300765742 JOVWMWMUWZRFHO-UHFFFAOYSA-N 456.522 2.170 30 10 JEEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1300838968 AOEXMWIOUSIKDB-UHFFFAOYSA-N 463.384 2.315 30 10 JEEE C=C(C)COCCn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1300993756 GGVBOPCFXBUGMA-UHFFFAOYSA-N 480.613 2.041 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCCO[C@H]2C(C)C)CC1 1301124143 GJKRLXDXPFEJSF-ACRUOGEOSA-N 481.663 2.465 30 10 JEEE C=CC[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1)c1ccccc1 1301164627 BIWMPYSYBSLJNP-DFQSSKMNSA-N 472.615 2.059 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1CC1(CS(C)(=O)=O)CC1 1301340938 MIURHUQTJDTBOK-UHFFFAOYSA-N 482.610 2.403 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2CCN(C(=O)OC)CC2)C1 1301534774 DUYSZCIJJPFMJE-SFHVURJKSA-N 469.546 2.185 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCCN2CCC(C)CC2)C1 1301557174 NDBLTBFFXWTXQG-RTWAWAEBSA-N 465.664 2.474 30 10 JEEE COCCN(CCC#N)c1nnc(-c2cnccn2)n1Cc1ccc(C)cc1N1CCOCC1 1301806312 BXZJHZWQUCJDCR-UHFFFAOYSA-N 462.558 2.295 30 10 JEEE Cc1ccsc1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(C#N)C1 1304071094 HCMFEHRFGLYNFD-UTKZUKDTSA-N 478.644 2.354 30 10 JEEE CC[C@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1305626359 BUKPHBQROOEBDV-QFBILLFUSA-N 458.588 2.135 30 10 JEEE C=CCC(F)(F)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1NC[C@@H]1CCCO1 1349930302 DBMAWUDJELJIBB-HNNXBMFYSA-N 459.515 2.448 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCS(C)(=O)=O 1358888424 MSRMQWQIZONBQA-DLBZAZTESA-N 453.609 2.285 30 10 JEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@H](COC(C)C)C1 1358923008 ZDSMQMDXBHXWEU-FQEVSTJZSA-N 475.615 2.239 30 10 JEEE C#CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CC(=O)N1CCOCC1 1358929217 VBEUUIPPSDQDOB-LJQANCHMSA-N 474.606 2.101 30 10 JEEE C#CCN(c1nnc(-c2ccc(Br)s2)n1C[C@@H](C)OC)[C@H]1CCS(=O)(=O)C1 1358958909 YHDQYHYSAXLCEA-OLZOCXBDSA-N 473.418 2.431 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2oc(CCC)nc2C)CC1 1359029602 BTFMYZGGAOYWRV-XMMPIXPASA-N 456.591 2.371 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccccc2OC)CC1 1359037969 FTCZWEJOTSGTMN-UHFFFAOYSA-N 450.568 2.082 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(N(CC)CC)CC1 1359083177 CZPCJHCXYPBTNT-OAHLLOKOSA-N 460.442 2.399 30 10 JEEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(NC(=O)COC)CC1 1359127329 NTVIRLNMOPKLPT-UHFFFAOYSA-N 481.395 2.360 30 10 JEEE C=CCCOCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](C)C1 1359227490 CCLAPXLLQRUPQA-ZWKOTPCHSA-N 451.568 2.404 30 10 JEEE C=CCN(CCOC)c1nnc(-c2cccc(C)n2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1359281213 SDMDCLXSCGBAKP-CTNGQTDRSA-N 474.631 2.492 30 10 JEEE C=CCNC(=O)Cn1c(C2CC2)nnc1N(CCO)Cc1cc(Br)ccc1F 1359298597 FSBRJTUWMIBMJA-UHFFFAOYSA-N 452.328 2.358 30 10 JEEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1359303658 WROCXOMIBUGNNX-UHFFFAOYSA-N 480.613 2.355 30 10 JEEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)c1ccco1 1359343583 WLKRABCUXKAINU-NVXWUHKLSA-N 455.606 2.321 30 10 JEEE CC(C)(C)Cc1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CCNS(C)(=O)=O 1359537020 HGARHXRIQWNDDH-UHFFFAOYSA-N 459.620 2.004 30 10 JEEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2ccc(F)cc2)CC1 1360475755 DJNSIZBNUQZZTB-APWZRJJASA-N 476.578 2.220 30 10 JEEE CCn1cnnc1Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCO[C@@H](C#N)C1 1502239520 GUGDXRWHLSAPFF-AWEZNQCLSA-N 473.335 2.105 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2CCNC(=O)C(C)C)c1 1507551556 YASYRFHJGKSLRW-IBGZPJMESA-N 452.559 2.001 30 10 JEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2cc(OC)c(OC)cc2CC1 1507558266 VSXXZLSYNLMYTF-KRWDZBQOSA-N 475.615 2.314 30 10 JEEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCCN(C(=O)C(C)C)CC1 1507582207 DSBTXVVQRKVCPP-UHFFFAOYSA-N 471.631 2.346 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1CC1(SC)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1507632927 BOLIIHWNNXGHRI-QGZVFWFLSA-N 454.662 2.406 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@@H]1CC(F)(F)CO1)[C@@H]1CCS(=O)(=O)C1 1507639021 IRXAFJHPDNARPK-CVEARBPZSA-N 484.500 2.047 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@](O)(c2ccccc2)C(F)(F)F)CC1 1507732484 HKKXRGUHARMFKW-GREBRCKQSA-N 493.530 2.207 30 10 JEEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1507754923 QDRDQMZCZJFVOQ-GOSISDBHSA-N 457.604 2.320 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccc2OC)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1507804084 JVESHTLIDXGQOJ-IPJJNNNSSA-N 460.600 2.482 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc2c(c1)OCO2 1507804476 KBAFZHXCKCCIJC-SYNHAJSKSA-N 477.587 2.235 30 10 JEEE C=C(C)COCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1507838102 KKERKLMSOIZJTB-UHFFFAOYSA-N 487.004 2.462 30 10 JEEE C=CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1cc(C)nn1C 1508038792 KJFFHDZMXKZBQN-UHFFFAOYSA-N 451.579 2.181 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](OCC=C)C1 1508097893 LZXCFZFYUZOJME-ROUUACIJSA-N 460.579 2.434 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCC[C@H](n3nc(C)cc3C)C2)nnc1[C@@]1(OCC)CCOC1 1508149720 WNUVYMLLNJPVKY-NZQKXSOJSA-N 492.646 2.186 30 10 JEEE C#CCN(c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCC=C)[C@@H]1CCS(=O)(=O)C1 1539218603 BFHMZHVEBPJMQC-MOPGFXCFSA-N 493.630 2.179 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H]1CCc2ccccc21 1539326112 RZGUNPDKLDVLTM-FYYLOGMGSA-N 481.622 2.194 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc(C#N)cc3)n2Cc2cc(C)nn2C)n1 1539423683 CEOMLWLOVKELSE-UHFFFAOYSA-N 469.553 2.390 30 10 JEEE C#CCN1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCC(=O)NCCC)CC1 1539446519 FDJJVJODDZXGTP-UHFFFAOYSA-N 487.649 2.064 30 10 JEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 1540035963 IPPLWQQGMMZPLH-GOSISDBHSA-N 490.586 2.008 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CCCS(=O)(=O)C1 1540122127 PRFXMMUQADGQHU-WOJBJXKFSA-N 468.583 2.118 30 10 JEEE C=CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 1540856172 XRUYVPMPKHGKRF-CRAIPNDOSA-N 451.535 2.456 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1540867339 SBYXPTNAWQAGPR-HXUWFJFHSA-N 459.558 2.244 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCc2cc(OC)c(C)cc2C1 1540877331 RCKJIQZVJXSJCC-AVRDEDQJSA-N 455.559 2.184 30 10 JEEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1540917099 NSWMBVGWFIWFHD-DYESRHJHSA-N 487.692 2.172 30 10 JEEE COc1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)cc1N1CCCCC1=O 1544037271 HOQNEEZASIBNEK-HNNXBMFYSA-N 456.524 2.389 30 10 JEEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(S(=O)(=O)NC(C)(C)C)cc2)cc1 1556995358 DMDALNKDRGMCEN-UHFFFAOYSA-N 451.570 2.480 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCSc1ccc(C)cc1 1587638429 DVBVRAHIKWKEKH-IEBWSBKVSA-N 463.629 2.170 30 10 JEEE C#CCCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(NS(C)(=O)=O)CC1 1587766323 RXPQJWQRCWXEAJ-FQEVSTJZSA-N 459.572 2.112 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC[C@H]1CCCCO1 1588098821 BLUDCCNRRCBZHC-HXUWFJFHSA-N 455.584 2.227 30 10 JEEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1588272258 XBJMHFBKJOUUQF-CYFREDJKSA-N 454.575 2.058 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@](C)(O)C(C)C)CC1 1588898825 DMBOVVOMWRKNMR-SANMLTNESA-N 499.612 2.344 30 10 JEEE C#CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1588974814 BWXMBORHSRSLFA-RTBURBONSA-N 487.029 2.475 30 10 JEEE C#CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1589036528 KPVKWQYIDQFJPH-LJQANCHMSA-N 475.640 2.324 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2ccc(Cl)nc2C1 1589492686 CNIAFEBQYNICMB-GMBSWORKSA-N 481.022 2.481 30 10 JEEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1593885160 LIVIDAMEQLXZJZ-ZNMIVQPWSA-N 469.926 2.453 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(N(C)C)CCOCC1 1595116909 XLTJVKBVNTYEQV-OAQYLSRUSA-N 473.643 2.484 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCCN(C(=O)c2cccc(C)c2)CC1 1595545585 YWLDNNDDFVQLOL-OAQYLSRUSA-N 466.586 2.483 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCN2C[C@H](C)O[C@H](C)C2)C1 1595674776 TZEXSONSOZIHKM-HSALFYBXSA-N 469.590 2.206 30 10 JEEE CC(C)C(=O)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CC2)CC1 1597923406 HHGADUYETXAURB-UHFFFAOYSA-N 470.599 2.089 30 10 JEEE COc1ccc(CCc2nnc(N3CCN(c4nccnc4C#N)C[C@H]3C)n2C[C@@H](C)OC)cc1 1619238548 BKYRBVUPTKFPDB-RTBURBONSA-N 476.585 2.484 30 10 JEEE COCCN(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1ccc(N2CCOCC2)nc1 1619871631 HFGPVVVZEZUYNB-UHFFFAOYSA-N 463.542 2.091 30 10 JEEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H](CNC(=O)OC(C)(C)C)C(F)(F)F)c1 1627767393 DWEIZCCMZNFLKG-CQSZACIVSA-N 451.467 2.336 30 10 JEEE Cc1ccc(S(=O)(=O)NCCN(C)C(=O)NC2CCN(c3ccccc3C#N)CC2)cc1 1637448930 AEIVINIVPKJYCH-UHFFFAOYSA-N 455.584 2.455 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2nnc3ccc(Br)cn23)s1 1640948884 DYYIRXCPISQHQL-UHFFFAOYSA-N 456.347 2.199 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@H](C)c2ccc(S(C)(=O)=O)cc2)s1 1643822026 KUAFRZYHZYQDQZ-CQSZACIVSA-N 456.611 2.078 30 10 JEEE C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)OC)C2)cc1 1666758591 CWFTZBFSSBKQEJ-IPELMVKDSA-N 451.545 2.115 30 10 JEEE N#Cc1cn(CCNC(=O)N[C@H]2CCCc3nc(-c4ccc(F)cc4)sc32)c(=O)nc1O 1677175269 FFFVORJMNIQQMQ-INIZCTEOSA-N 454.487 2.460 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccccc1C(F)(F)F 1689853587 WEKGVBFIOXVGCK-CRAIPNDOSA-N 485.532 2.330 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2Cc2nc(C)cs2)c1 1689868727 PLJAZSMEUIBZMJ-UHFFFAOYSA-N 451.556 2.286 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1Cc1ccc(C)n(C)c1=O)[C@@H]1CCS(=O)(=O)C1 1689983976 IRGPWNKACKKREA-HXUWFJFHSA-N 485.997 2.281 30 10 JEEE C#CCN1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCCc2nc(C)no2)CC1 1690124350 JPGXMWYMKHDQKR-UHFFFAOYSA-N 498.632 2.472 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2CCCN2CCCO[C@@H](C)C2)CC1 1690139309 HBRKYWCRLMRTMT-NRFANRHFSA-N 494.640 2.420 30 10 JEEE C#CCSCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1690157377 FICFEEPCJJNEEF-CRAIPNDOSA-N 463.991 2.389 30 10 JEEE C=CCCOCCn1c(Cc2csc(C)n2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1690510299 ZIYDECFFKKHWKF-HXUWFJFHSA-N 451.618 2.242 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)c2cccc(Cl)c2)CC1 1690670754 IGZVFSYGQJSAIC-LJQANCHMSA-N 472.977 2.438 30 10 JEEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1690672111 HYJLTQRNGSQVTP-UHFFFAOYSA-N 490.452 2.472 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1690718054 ZNJMUQIOUQKYIF-GOSISDBHSA-N 456.572 2.282 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CC(C)(C)C 1690723150 JNOQWDPCGXNXMZ-UHFFFAOYSA-N 458.588 2.275 30 10 JEEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCC(n2c(O)nc3ccccc32)CC1 1690729040 FAWCARRDQFXCLF-UHFFFAOYSA-N 474.587 2.312 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@H](C)SC 1694347536 HMHPITGPDFBQDX-HNNXBMFYSA-N 473.651 2.188 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)c1ccc2c(c1)OCCO2 1705492180 MSXSNELPIJBYIL-IRXDYDNUSA-N 458.584 2.387 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2Cc2c(C)noc2C)c1 1705508647 ZCNFTTGZCUFSJC-UHFFFAOYSA-N 461.526 2.110 30 10 JEEE C#CCN(c1nnc(COc2ccccc2CC)n1Cc1snnc1C)[C@@H]1CCS(=O)(=O)C1 1705568049 GETNURJDCYUFCY-GOSISDBHSA-N 486.623 2.254 30 10 JEEE C#CCN(c1nnc(CSc2ccc(Cl)cc2)n1Cc1ncn(C)n1)[C@@H]1CCS(=O)(=O)C1 1705572017 OUIIBJOUCLXTMW-MRXNPFEDSA-N 492.030 2.027 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCS(=O)(=O)N(C)C 1705588344 CNCNGVOXBIAEQU-KRWDZBQOSA-N 463.991 2.426 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(SC)CC1 1705619912 GEXMFOSYOFTHGE-LJQANCHMSA-N 493.630 2.286 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1C[C@@H](c1cccc(C)c1)N1CCOCC1 1705626286 PNQXVJHYJSKBSR-QHCPKHFHSA-N 463.586 2.147 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2Cc2nc3cc(OC)ccc3n2C)CC1 1705644552 UROIHAKPENLZQJ-UHFFFAOYSA-N 463.586 2.485 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCOc2ccccc2C(C)C)CC1 1705648252 UFPGUMPNXDWORV-NRFANRHFSA-N 478.597 2.397 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2Cc2ccc(C)n(C)c2=O)CC1 1705651377 UXVYKHKFSYGTEW-UHFFFAOYSA-N 492.555 2.017 30 10 JEEE C#CCSCCn1c(-c2cc(Br)cn2C)nnc1N(C)CCCS(C)(=O)=O 1705655441 MFXSMNZPWOAIHA-UHFFFAOYSA-N 474.450 2.283 30 10 JEEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1705805972 UAKPNOVTWJIWCC-RBUKOAKNSA-N 464.636 2.119 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCO2)n1CC1(C(N)=O)CCOCC1 1705861234 YLPPWAOGQKGMDD-HXUWFJFHSA-N 450.543 2.476 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1705898168 CTBAFWQTFWDDJS-FQEVSTJZSA-N 493.337 2.180 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC2CCOCC2)c1 1722308509 BQISQMHBGIJDNI-HXUWFJFHSA-N 485.610 2.053 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cccs2)c1 1722310369 VCOVHCQSBSALOJ-QGZVFWFLSA-N 469.592 2.346 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1C[C@H]1CN(Cc2ccccc2)CCCO1)[C@@H]1CCS(=O)(=O)C1 1722358596 JLKQXXFVRSNUJE-DHIUTWEWSA-N 499.681 2.493 30 10 JEEE C#CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC(C)C)[C@H]1CCS(=O)(=O)C1 1722371966 ZSWJGXDWRMLJJK-KSZLIROESA-N 465.620 2.332 30 10 JEEE C#CCN(CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC1(O)CCS(=O)(=O)CC1 1722405075 GJIUHFLTZXGCGO-MRXNPFEDSA-N 466.991 2.471 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCCCN(Cc3ccccc3)C2)CC1 1722429228 IVHFPRVQUMNMTM-DEOSSOPVSA-N 477.657 2.474 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H]2CSCCS2)CC1 1722443296 GGYRHAFSCHQRNY-AUSIDOKSSA-N 493.699 2.133 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC(C)(C)C(=O)NC)CC1 1722450406 HHWNEAPRGZUUNR-UHFFFAOYSA-N 487.004 2.249 30 10 JEEE C#CCSCCn1c(-c2ccccc2F)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1722457162 RVINLHVEKNQREF-UHFFFAOYSA-N 451.593 2.311 30 10 JEEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1722461124 CMOPEEQPPRTGSR-UHFFFAOYSA-N 481.674 2.179 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H]1CCCCS1(=O)=O 1722681656 PHMQQVDCJXIGIT-XLIONFOSSA-N 462.572 2.397 30 10 JEEE C=CCn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1722682844 MVYVTSWOTQBAGZ-VQIMIIECSA-N 454.531 2.476 30 10 JEEE COCCN(C)CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@](F)(C#N)C1 1730732882 ANNSJGVQEWIBPG-MBSDFSHPSA-N 479.601 2.413 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2cccnc2)n1C[C@@H]1CCS(=O)(=O)C1 1730749985 GGZOIWVGKQSAAW-FQEVSTJZSA-N 466.567 2.299 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CCc1cccc(F)c1F)[C@H]1CCS(=O)(=O)C1 1740615742 KARXTBLQTIFPES-SFHVURJKSA-N 493.580 2.344 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1Cc1cccc(C(=O)N(C)C)c1)[C@@H]1CCS(=O)(=O)C1 1740616833 HUXSYPWDBVRBKZ-YLJYHZDGSA-N 457.600 2.168 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1N(C)CCCC1(C)C 1740630612 LDVNURYPPCGTND-QFIPXVFZSA-N 482.654 2.389 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(Br)cc2Cl)n1Cc1nnn(C)n1 1740650374 YNPQYJZCYQOJQZ-UHFFFAOYSA-N 459.739 2.396 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2(OC)CCCC2)CC1 1740699076 ZPCAFENMEZGNGA-UHFFFAOYSA-N 457.600 2.063 30 10 JEEE C=CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2nccn3cnnc23)[C@@H](C)C1 1740867863 YFYQAWJJMQPUFE-KRWDZBQOSA-N 466.594 2.316 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCO[C@@]2(CCOC2)C1 1740964191 KKAXJYKCYPSADR-NRFANRHFSA-N 482.368 2.462 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCS[C@@H](C)C1 1740985919 NOILYBUONGEWIU-HNNXBMFYSA-N 484.047 2.404 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1740990797 FTOYECBQGAUUSC-DLBZAZTESA-N 485.614 2.114 30 10 JEEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCC(C)C)[C@@H]1CCS(=O)(=O)C1 1748809277 REUVLTFBPOSPKM-GOSISDBHSA-N 464.613 2.021 30 10 JEEE C#CCN(CC#CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC(=O)NC(C)C 1748891110 ZVYNYYWKXJAHHL-UHFFFAOYSA-N 456.591 2.380 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnccn3)n2Cc2ccc(Cl)nc2)n1 1748970652 MRWQQHNLEQBQGI-UHFFFAOYSA-N 463.933 2.315 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1748999517 ZHUMUYUOLZKKLY-JOCHJYFZSA-N 450.587 2.179 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1749013988 AXYNQDLUAIAKEB-LEWJYISDSA-N 471.989 2.028 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2CC2(O)CCN(C(C)C)CC2)CC1 1749016646 IVFXMAJCDQDRLV-UHFFFAOYSA-N 492.668 2.378 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1c(OC)cc(OC)cc1OC 1749066495 KHIITMUGTFMIKE-MZNJEOGPSA-N 488.610 2.441 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCCN(C(=O)C(C)C)CC1 1749114309 AAQZSTIQGONVBF-WOJBJXKFSA-N 458.607 2.190 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1c(C)noc1C 1749119332 QDSNGPZROWSDOV-KYJSFNMBSA-N 452.581 2.111 30 10 JEEE C=C(Cl)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1749261732 YRFBGQLMWQNTGX-UHFFFAOYSA-N 490.992 2.278 30 10 JEEE C=C(Cl)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 1749264634 BDDBSSSWNQGMOB-AWEZNQCLSA-N 475.040 2.250 30 10 JEEE C=CCCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1749400770 MJDKUNUZQBMMNQ-UHFFFAOYSA-N 499.019 2.345 30 10 JEEE C=CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCS(=O)(=O)CC 1749430524 PTEVJDPTTVIJPJ-KRWDZBQOSA-N 471.624 2.424 30 10 JEEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCN1CCCO[C@H](C)C1 1749483135 WAPZYFRWHYTBJO-GOSISDBHSA-N 461.636 2.361 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCC[C@H](CN2CCOCC2)C1 1749672174 RMNOSXDRNCZNSJ-OAQYLSRUSA-N 452.603 2.028 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1749727082 MRCYLVQADJKXTM-DOTOQJQBSA-N 482.946 2.322 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1C[C@H](C)O[C@H](COC)C1 1749729557 NEQVDHFSCDSJAS-HOTGVXAUSA-N 454.980 2.439 30 10 JEEE C[C@H]1CN(C(C)(C)Cn2c(-c3cccc(C#N)c3)nnc2N2CC(=O)N(C)C[C@@H]2C)C[C@@H](C)O1 1752269196 GGGFNDXHJXRQBU-GBESFXJTSA-N 465.602 2.371 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccccc1CN1CCC[C@@H]1CO 1760096363 KOLOYCKHPJDZTJ-DENIHFKCSA-N 473.581 2.388 30 10 JEEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1760155260 UQYMKMBYYXEZCL-ROUUACIJSA-N 481.619 2.013 30 10 JEEE C#CCN(c1nnc(COc2ccccc2OC)n1C[C@@H]1CCOC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1760193217 WVHGUVDDCGREAR-SLFFLAALSA-N 488.610 2.165 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2CCC(=O)N2CCCCC2)CC1 1760267880 DMKMYRVICKNRKQ-UHFFFAOYSA-N 478.597 2.322 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCOCCC(C)C)CC1 1760402333 KIMRMAIEWMGLON-IBGZPJMESA-N 455.625 2.076 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1760517226 GYKQLDZCMFLCDK-IYBDPMFKSA-N 496.584 2.225 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 1760552629 VMIAMKZYLJHXJV-MRXNPFEDSA-N 464.592 2.225 30 10 JEEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 1760564217 SJWGRHJPKAAPCP-WOJBJXKFSA-N 484.674 2.471 30 10 JEEE CC(=O)N1CCN([C@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCCCCCO)C[C@H]2C)CC1 1760623719 UHRRDWSCYUXIPV-YKSBVNFPSA-N 479.629 2.358 30 10 JEEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CSCCS2)C1 1767251725 CDWJGUFZJUCRFD-QZTJIDSGSA-N 478.669 2.183 30 10 JEEE CC(C)Cn1cc(C(=O)Nc2nnc(CCC(=O)Nc3ccccc3C#N)c(O)n2)ccc1=O 1860896763 ZUTOFADFGRYFEG-UHFFFAOYSA-N 461.482 2.090 30 10 JEEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@@H]2c2cc3c(cc2[N+](=O)[O-])OCCO3)c1 1862709177 NVUWTQUJSIMFIE-OAQYLSRUSA-N 497.460 2.089 30 10 JEEE C=CCn1c(C(=O)NCCOc2ccc(OC)cc2)cc2c(N3CCC(O)CC3)ncnc21 1873595531 HNYPEILZYDRXDH-UHFFFAOYSA-N 451.527 2.396 30 10 JEEE COc1ccnc(N2CCN(C(=O)[C@@H]3SCC(=O)N(C(C)C)[C@H]3c3ccc(C#N)cc3)CC2)n1 1889660696 MGVAWYVBKPOTHM-FCHUYYIVSA-N 480.594 2.099 30 10 JEEE CCN1CCN(CC#CCOC2CCN(C(=O)CN(C)c3nc4c(OC)cccc4s3)CC2)CC1 1891288573 QNGRKCWXBGDZQR-UHFFFAOYSA-N 499.681 2.390 30 10 JEEE Cc1cnc(-n2c(C)nc(I)c2I)c(C#N)n1 2010948141 ZVJRLUNTZVSQCN-UHFFFAOYSA-N 451.009 2.360 30 10 JEEE CC(C)(C)OC(=O)NC1(C(=O)NCCc2cccc(B3OC(C)(C)C(C)(C)O3)c2)CC(O)C1 2193521826 MNBKODYFJXIJAJ-UHFFFAOYSA-N 460.380 2.063 30 10 JEEE CN[C@@H](C#Cc1ccccc1Br)[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 2235730817 PDEXZMWMZLTZER-DLBZAZTESA-N 457.390 2.423 30 10 JEEE CC(C)(C)OC(=O)N1[C@@H](COc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)CCS1(=O)=O 2254759680 RDCFHHUIBJKKKD-OAHLLOKOSA-N 454.354 2.099 30 10 JEEE CN(C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CC[C@H]1NC(=O)OCc1ccccc1 2256066705 GOXSCKPHLNVYLB-QZTJIDSGSA-N 466.347 2.305 30 10 JEEE C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2256616096 ZLSACZWDFWWFJM-STQMWFEESA-N 452.386 2.091 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](O)C[C@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2256628693 LMBURYIVVXIRGT-OLZOCXBDSA-N 453.370 2.141 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](NC(=O)c2ccc(Cl)c(B3OC(C)(C)C(C)(C)O3)c2)C1 2266981140 GQPWEMWWLIDCSO-IRXDYDNUSA-N 466.771 2.349 30 10 JEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NCC1(CNC(=O)OC(C)(C)C)COC1 2267507577 QNVFVKSVNDVFTA-UHFFFAOYSA-N 450.341 2.158 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](NS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2267708183 FVVKDCLGUYPVTN-OKILXGFUSA-N 487.453 2.165 30 10 JEEE C[C@H](NC(=O)C1(CNC(=O)OC(C)(C)C)COC1)c1nscc1B1OC(C)(C)C(C)(C)O1 2268717823 VHSAZGKCPVMKTK-ZDUSSCGKSA-N 467.397 2.161 30 10 JEEE Cc1c(C(=O)N2CC3CC2(CNC(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281977505 QIQPWKKHHSPHQJ-UHFFFAOYSA-N 460.384 2.157 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@H](CNC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2Cl)C1 2281991491 ATWPHIZLQXDWHS-OAHLLOKOSA-N 481.786 2.400 30 10 JEEE CC1(C)OB(c2cnsc2C(=O)N2C[C@H](CNC(=O)C(F)(F)F)C3(CCC3)C2)OC1(C)C 2282016174 URNYNEDWUMHNKA-LBPRGKRZSA-N 473.326 2.363 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C12CCC2 2282089423 ALIZEHBJISDROG-CVEARBPZSA-N 458.368 2.342 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NCC1(CNC(=O)OC(C)(C)C)COC1 2282103616 SXSIFZBKODATKN-UHFFFAOYSA-N 463.384 2.078 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)[C@@H](CO)C1 2282174529 GLVGTQRBOITUKE-IEBWSBKVSA-N 460.380 2.334 30 10 JEEE CC1(C)OB(c2occc2C(=O)N2CC[C@](CNC(=O)C(F)(F)F)(C3CC3)C2)OC1(C)C 2282196447 AICOKNYIZGSIFF-HXUWFJFHSA-N 456.270 2.500 30 10 JEEE Cn1nc(C(=O)NC[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 2282550417 YWQRALRKSGOOGY-BTTYYORXSA-N 480.802 2.215 30 10 JEEE COc1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCCONC(=O)OC(C)(C)C)cc1OC 2282590749 GIWAOSAVUIYTGD-UHFFFAOYSA-N 466.340 2.189 30 10 JEEE Cc1c(C(=O)NC[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282595102 OYSPZSLLUKDQLN-HSZRJFAPSA-N 462.400 2.405 30 10 JEEE Cc1c(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282596901 DLIREFRSBVRWDK-GOEBONIOSA-N 462.400 2.261 30 10 JEEE C[C@@H]1[C@@H](C)N(Cc2ccccc2)[C@H](C)CN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282699460 KGLFDWZABFKTLL-KZNAEPCWSA-N 453.396 2.238 30 10 JEEE CC(C)(C)OC(=O)N1Cc2nncn2C[C@H]1C(=O)N1CCC(=CB2OC(C)(C)C(C)(C)O2)C1 2283949861 DRSNXMNPMNJIJZ-INIZCTEOSA-N 459.356 2.188 30 10 JEEE C[C@@H](O)CN(CCNC(=O)OC(C)(C)C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1F 2285413924 UCDVKZMUZMWUDS-OAHLLOKOSA-N 466.359 2.473 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCC(NC(=O)C(F)(F)F)CC1 2286103941 RHXGOMDQQRVVKY-UHFFFAOYSA-N 476.326 2.126 30 10 JEEE CCOc1cc(C=Nn2c(Cc3ccc(OC)c(OC)c3)nnc2SCC(N)=O)ccc1O 2326740195 IYEFKOJZFIRNDC-UHFFFAOYSA-N 471.539 2.450 30 10 JEEE CC(=O)NCc1nnc(SCC(=O)Nc2ccc(F)cc2)n1N=Cc1ccc(O)cc1O 2330733862 UFBFNGRQOIMISJ-UHFFFAOYSA-N 458.475 2.078 30 10 JEEE CC(=O)NCc1nnc(SCC(=O)Nc2ccc(C)cc2)n1N=Cc1ccc(O)cc1O 2330738755 XJEPUVKUPNOSCO-UHFFFAOYSA-N 454.512 2.247 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1NC(=O)[C@@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C 2360584762 SNUGCLHAZFOSCA-QGZVFWFLSA-N 482.408 2.171 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)N3CCN(c4ccccc4F)CC3)cc2C1=O 19043716 UQIDBMULYUZBCD-UHFFFAOYSA-N 451.454 2.113 30 10 JEEE CCOc1ccc(N/C(=N\C=C2C(=O)N(C)C(=O)N(C)C2=O)Nc2nc(C)cc(C)n2)cc1 38204523 VMYZBPGBXCKLMH-UHFFFAOYSA-N 451.487 2.306 30 10 JEEE CCN(CC)S(=O)(=O)c1ccc(/C(O)=C2/C(=O)C(=O)N(CCOC)[C@H]2c2ccc(O)cc2)cc1 102999625 PEUHHPWIPHHSGU-AGGMBTAESA-N 488.562 2.491 30 10 JEEE O=C1/C(=N\Nc2ccc(S(=O)(=O)O)c3ccccc23)C=C(S(=O)(=O)O)c2cccnc21 136528701 JRORXBHSLYXSKK-JCMHNJIXSA-N 459.461 2.375 30 10 JEEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C#N)cc2)c1 502468558 ONTQVIXZPSEMDZ-LJQANCHMSA-N 456.549 2.176 30 10 JEEE C=CCNC(=O)c1cccc(S(=O)(=O)N(C)c2ccc(C(=O)N3CCOCC3)cc2C)c1 1187875142 MAGBKBKAIZNCAS-UHFFFAOYSA-N 457.552 2.208 30 10 JEEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccc(NC(=O)NC[C@H]3CCCO3)cc2)n1 1215187074 SMXXVSXZOIQUSZ-OAQYLSRUSA-N 454.531 2.497 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCN1CCOC[C@@H]1C 1286408716 KLSMQWGEHKRNSO-FQEVSTJZSA-N 473.581 2.029 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCN(CCC)C1 1286466747 JLXFOZMQLQIDRW-RTWAWAEBSA-N 490.649 2.404 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2ccc(C(=O)N3CCCCC3)cc2)CC1 1286491778 BEFCMYYNIVHKHX-UHFFFAOYSA-N 492.624 2.455 30 10 JEEE C=C(Br)Cn1c(Cc2ccccc2OC)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1286540156 JFWPEEDJAPFVSB-UHFFFAOYSA-N 489.374 2.307 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1286550224 ZWNGKGZTSXOHCX-IKGGRYGDSA-N 458.529 2.470 30 10 JEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C)c2nc(C(C)C)no2)CC1 1286606335 MRUKNZGMKHXCLY-ZWKOTPCHSA-N 472.594 2.212 30 10 JEEE C=C(Cl)Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1286631364 JCLLXSIZAGJJBJ-KRWDZBQOSA-N 493.395 2.151 30 10 JEEE C=CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1)c1ccccc1 1286678381 VZYYZEDTVQUZNM-NBYUQASBSA-N 488.614 2.183 30 10 JEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1286711613 NMDWKIDUKWXTLI-GOSISDBHSA-N 490.586 2.008 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1CC(C)(C)N1CCOCC1 1286742909 WVRUEUOEWUTVLR-OAQYLSRUSA-N 463.586 2.404 30 10 JEEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)Cc1cnn(C)c1 1286787928 MFHSVIYIKIKBDK-UHFFFAOYSA-N 472.594 2.065 30 10 JEEE CC(C)NS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCOC[C@H](C2CCC2)C1 1288268580 FTROKUMTJJFBHN-OAQYLSRUSA-N 472.615 2.397 30 10 JEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc2c(c1)OCC(=O)N2C 1297023196 CESWNBPJOUZDJI-INIZCTEOSA-N 456.524 2.278 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(N(C)C)CCSC1 1300310510 NFXKFTIKOVBQAD-YZZKKUAISA-N 478.663 2.482 30 10 JEEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(CN2CCC(O)CC2)cc1 1300430813 APIWFYFONYMEFV-AREMUKBSSA-N 467.614 2.393 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1Cc1ccccc1CN1CC[C@H](O)C1)[C@@H]1CCS(=O)(=O)C1 1300485786 YOQDQJMFVQJVFL-PTUXOGIPSA-N 485.654 2.033 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1ccc(N(CC)CC)nc1)[C@H]1CCS(=O)(=O)C1 1300501798 NSASXTQIYXCYNA-QFIPXVFZSA-N 493.637 2.180 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@]1(C)CCCS1)[C@@H]1CCS(=O)(=O)C1 1300502441 UQIWJCNBLONVRG-NQIIRXRSSA-N 462.645 2.052 30 10 JEEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(=O)CC2CCCC2)CC1 1301017068 GPABBZRSDVPBMX-INIZCTEOSA-N 473.043 2.260 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1301481741 OPSOBCPLFXZYSF-DZFGPLHGSA-N 482.585 2.366 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1301515340 SKAOUJQDQABZJK-NRFANRHFSA-N 489.584 2.156 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccnc3)n2CCNS(=O)(=O)c2ccc(C)s2)C1 1301553623 PLYUKOJGWRCTAZ-GOSISDBHSA-N 474.612 2.470 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CCOC2(CCC2)C1 1301593078 HZUICEZYMXXRDL-UHFFFAOYSA-N 450.536 2.356 30 10 JEEE C[C@H](CC#N)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC(=O)NCC(F)(F)F 1303635800 FHECFPFNAKYZAN-GOSISDBHSA-N 492.550 2.060 30 10 JEEE CN(C)CC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)CC[C@H]2C1 1314665438 CCTJAZJOZVSLPY-IBGZPJMESA-N 451.575 2.128 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCOC1 1316089178 BCIQTDBNWJGHJU-RTWAWAEBSA-N 473.599 2.131 30 10 JEEE C#CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1358904195 YOPKNJJBKYCOGI-UHFFFAOYSA-N 472.615 2.422 30 10 JEEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1358922013 QIVMMRNFEKQOAF-HNNXBMFYSA-N 450.362 2.076 30 10 JEEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1csc(CC)n1)[C@H]1CCS(=O)(=O)C1 1358956498 GRCCFYJHPYCSEH-PGRDOPGGSA-N 493.655 2.013 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCN1CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1358958050 GMZOSKRIQMYZLK-RXVVDRJESA-N 486.598 2.212 30 10 JEEE C#CCSCCn1c(-c2ccccc2Cl)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1359053573 REGQKIFJSQRDKQ-HNNXBMFYSA-N 454.021 2.483 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](CNC(=O)c2ccccc2)C1 1359131890 IFHSUAXXEDEIHQ-CTNGQTDRSA-N 466.586 2.468 30 10 JEEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(OC)c(OC)c(OC)c1)C1CC1 1359251915 YUULSESVGFEEDU-INIZCTEOSA-N 462.572 2.409 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1359292313 MUEZZIPNXNVUAX-MAUKXSAKSA-N 482.006 2.387 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC2(CC1)CNC(=O)C2 1359327816 LHQZXVBSQLSJBI-UHFFFAOYSA-N 495.552 2.254 30 10 JEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1442352705 KTSNFLHRZWYNKR-OAGGEKHMSA-N 450.985 2.217 30 10 JEEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N[C@H]2C[C@H](O)[C@H](O)C2)c1 1455991149 RFRADOCUXOSBMX-ILKSOTCGSA-N 450.944 2.335 30 10 JEEE COC(=O)c1ccc(N2CCN(C(=O)COc3ccc(Br)cc3)CC2)c(C#N)n1 1472693605 GHLGDCQVHIFSIU-UHFFFAOYSA-N 459.300 2.230 30 10 JEEE CC[C@H](C)[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1494869657 FQADQLQEKDPZQM-HFJWLAOPSA-N 488.596 2.434 30 10 JEEE N#CC1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC2(O)CCOCC2)CC1 1505319626 DQNMLCQHTDJOGW-UHFFFAOYSA-N 458.950 2.143 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC1(O)CCS(=O)(=O)CC1 1507514949 FMCWKGTUYYIANE-JKSUJKDBSA-N 466.991 2.469 30 10 JEEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1507554574 UCKGPEHPHNUFJO-UHFFFAOYSA-N 473.537 2.397 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@@](C)(O)c2ccccc2)CC1 1507740392 SBCGIZKIKBCYLO-AREMUKBSSA-N 458.566 2.137 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc(C(=O)NC)cc1 1507791460 MIUWFWKUEXTFEO-SFTDATJTSA-N 466.586 2.491 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCOc2ccccc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1507805488 JREIWBCTFLFVGS-MZKRTTBSSA-N 489.642 2.351 30 10 JEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)c2ccc(C)cc2)CC1 1507836050 VIRLXKUYCJYBFH-UHFFFAOYSA-N 466.586 2.378 30 10 JEEE C=C(C)COCCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(C(=O)OCC)CC1 1507846263 GOPWVOOSPLVVEY-UHFFFAOYSA-N 453.547 2.388 30 10 JEEE C=C(Cl)Cn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 1507865450 CMYNZQASEJHOHK-UHFFFAOYSA-N 461.014 2.248 30 10 JEEE C=CCCCn1c(N2CCN3C(=O)N(CC)C(=O)[C@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1507954506 VSKUVLYQDJVWJB-FGTMMUONSA-N 487.605 2.488 30 10 JEEE C=CCn1c(Cc2ccccc2F)nnc1N1C[C@@H]2[C@H](C1)[C@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1508062308 AJLWVTKHQVALMV-BHIYHBOVSA-N 491.589 2.321 30 10 JEEE C#C[C@H](NC(=O)c1ccc2c(c1)S(=O)(=O)N(CCOC)C2=O)c1ccc(Cl)cc1F 1525070469 TYQZFCZWSPXCPR-KRWDZBQOSA-N 450.875 2.374 30 10 JEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC=C(c2ccc(O)cc2)CC1 1539072436 RGDWJQIITZLTNS-QFIPXVFZSA-N 485.610 2.414 30 10 JEEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1539154587 QKPHNICBNVSLLX-FXAWDEMLSA-N 459.513 2.041 30 10 JEEE C#CCN(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1539161467 FJJQJCZMPVVJDC-XTQSDGFTSA-N 464.526 2.337 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H](C)c1nc(C)cs1)[C@H]1CCS(=O)(=O)C1 1539224470 HKQCHJDDKGKUHY-APWZRJJASA-N 470.624 2.459 30 10 JEEE C#CCN(CC#C)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@@]1(O)CCS(=O)(=O)C1 1539237832 LSWWGGQFYPKTIH-NRFANRHFSA-N 474.995 2.436 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2OC)n1CCCN1C(=O)NC2(CCCC2)C1=O 1539252042 XDEBKMZIMKRXRU-UHFFFAOYSA-N 490.564 2.290 30 10 JEEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1539332587 WKGYRATXFJBYCB-NRFANRHFSA-N 483.551 2.463 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC)n2C[C@@H]2[C@@H](C)CCN2C(=O)OC(C)(C)C)CC1 1539483526 ZTZKMLTXNRYSPH-PKOBYXMFSA-N 458.607 2.452 30 10 JEEE C#CCSCCn1c(N2CC[C@@](C)(C(N)=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1539531308 VWLJZNBLVQGFOQ-ZMPRRUGASA-N 462.620 2.117 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2cc(Br)cn2C)n1CCC[C@@H]1NC(=O)NC1=O 1539651191 BERVTVYZSJOXLA-AWEZNQCLSA-N 464.368 2.437 30 10 JEEE C=CCCOCCn1c(-c2ccccn2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1540026973 NRCQBGAHBLUJPL-FQEVSTJZSA-N 453.591 2.066 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1540879705 LVLHLQSUQMJWML-KOSHJBKYSA-N 455.559 2.414 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCC1CC(OC(C)(C)C)C1 1541927254 HCNJPQBAXVMTSY-DRUAIGIBSA-N 456.588 2.314 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCNC(=O)c1cccc(OC)c1 1545877366 ALGFVVFFGJCTFV-QHCPKHFHSA-N 471.537 2.077 30 10 JEEE COCCN(C)CCCn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1555522490 ATAWGMDRSAVRHH-FCHUYYIVSA-N 454.575 2.200 30 10 JEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCn1cc([C@H]2CCOC2)cn1 1587989900 QAIORYSCPXEHDU-AZUAARDMSA-N 485.589 2.057 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCc1ccc(OC)cc1OC)[C@@H]1CCS(=O)(=O)C1 1588049284 DRTXSBZTDLSSGD-GOSISDBHSA-N 469.567 2.160 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCC1CCC(OC)CC1)[C@H]1CCS(=O)(=O)C1 1588069184 JDFYAUTYANYCML-ORFBVSJDSA-N 488.658 2.362 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccn3C)n2C[C@@H]2CCOC[C@H]2C)n1 1588722987 IUHQCBSFTCIASJ-UXHICEINSA-N 451.575 2.439 30 10 JEEE C#CCSCCn1c(COc2ccccc2F)nnc1N1CCC(N2CCNC2=O)CC1 1589116911 PEMIUBIFOOGFFL-UHFFFAOYSA-N 458.563 2.357 30 10 JEEE C=C(C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1589731449 KFMFTVYUZWIHKJ-KRWDZBQOSA-N 454.575 2.328 30 10 JEEE C=C(C)Cn1c(COc2ccccc2OC)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1593677604 FLYJZPSPUMFMEU-UHFFFAOYSA-N 454.575 2.186 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 1593746813 NUPNZWILTWZHTC-OAQYLSRUSA-N 493.674 2.248 30 10 JEEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C(C)=O)cc2F)CC1 1593806435 BGKMNXGSVADAJM-CQSZACIVSA-N 484.985 2.309 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)N2CCCC2)n1CC1(C(N)=O)CCOCC1 1595120288 QCAZHWCRFJYWBZ-UHFFFAOYSA-N 470.549 2.128 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1595490767 ZPIBIJUSOHPLIP-GFCCVEGCSA-N 463.258 2.105 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(c2nccc(OC)n2)CC1 1595506578 FQWQHCBZDDRPGU-UHFFFAOYSA-N 486.939 2.165 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1595577009 FXGPDNDEPFZKMC-VWLOTQADSA-N 468.602 2.077 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccsc3)n2CCS(=O)(=O)N2CCSCC2)C1 1595738270 NVKCXYHOAHQVRS-GOSISDBHSA-N 483.685 2.090 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1595765512 BLTBWCMXPHDBBA-ZBFHGGJFSA-N 483.436 2.309 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 1595804992 KCIXHPMVRHGYNH-HNNXBMFYSA-N 466.995 2.345 30 10 JEEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1595838252 NWRJDRKXJVBOJY-UHFFFAOYSA-N 468.583 2.166 30 10 JEEE Cc1cc(C)n(Cc2nnc(N3CCCN(c4ccccc4C#N)CC3)n2CC(=O)NCC(F)F)n1 1612498542 BHGWJDMFPKXXNN-UHFFFAOYSA-N 497.554 2.109 30 10 JEEE COc1cc(OC)c2c(c1Cl)O[C@]1(C(=O)/C(=C\NCCNc3ncccn3)C(=O)C[C@@H]1C)C2=O 1615248062 UGJVQIMIWDAHEF-LBYXGIOVSA-N 486.912 2.225 30 10 JEEE CCN(CC)C(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2c(C)noc2C)CC1 1615328290 CIDPFJFQFCRLCI-UHFFFAOYSA-N 476.585 2.460 30 10 JEEE C#CCN1CCC[C@H]1C(=O)NCCN1C(=O)S/C(=C\c2ccc(OCC)c(OC)c2)C1=O 1625078806 JBSOGFRDUDEMQY-SWEXZPIWSA-N 457.552 2.344 30 10 JEEE C#CC[C@H](NC(=O)Cc1cc(Br)cc(I)c1)C(=O)OC 1626187917 LYTHPGLUOMAMKT-LBPRGKRZSA-N 450.070 2.277 30 10 JEEE C#CCC1(O)CCN(C(=O)NCc2cccc(S(=O)(=O)NCc3cccc(F)c3)c2)CC1 1629862241 TZIYSHFCWNHWOS-UHFFFAOYSA-N 459.543 2.364 30 10 JEEE CCN(C(=O)CNS(=O)(=O)c1ccc(C#N)cc1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1637870202 HOXPUPIUZZZJHB-KRWDZBQOSA-N 450.561 2.085 30 10 JEEE N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCCC[C@H]2CNC(=O)Nc2ccccc2)c1 1650867109 CHXCBEODXIWUCP-IBGZPJMESA-N 455.540 2.039 30 10 JEEE C=CCOc1ccc(Br)cc1NC(=O)NCCS(=O)(=O)N=S(C)(C)=O 1672214078 DQKQFAXOYYHHCX-UHFFFAOYSA-N 454.368 2.193 30 10 JEEE C#C[C@H](NC(=O)N(CC)[C@@H](C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)[C@H]1CCCO1 1681811985 GOEAMRNQZNBAOU-GBESFXJTSA-N 450.580 2.057 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1689998539 OYNHUPILKXJTAC-MTQWCTHYSA-N 464.632 2.248 30 10 JEEE C=C(Br)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CC(=O)NCC)CC1 1690223657 XREGAPWTFKYJNW-UHFFFAOYSA-N 468.787 2.160 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(OCC(N)=O)CC1 1690241611 VBYILWIKPIRSFH-HXOBKFHXSA-N 485.585 2.414 30 10 JEEE C=CCN(CCOC)c1nnc(-c2ccccn2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1690615313 ACYAFXMBRRVHKN-UYAOXDASSA-N 460.604 2.183 30 10 JEEE C=CCOc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2cnn(C)c2)cc1 1690680696 YVWMBEIPRMKLOC-IBGZPJMESA-N 456.572 2.163 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccn2)CC1 1690682628 UNOZCJZMEWZVCW-LJQANCHMSA-N 497.625 2.223 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC(C(=O)OC)CC1 1690718067 ZSOSJKZNHACDPA-UHFFFAOYSA-N 484.582 2.325 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 1690732274 YDGJINFXCLIQKN-LJQANCHMSA-N 494.017 2.233 30 10 JEEE Cc1nc(N2CCOCC2)sc1-c1nnc(N(C)C[C@H](C)C#N)n1CCCC(=O)NC1CC1 1692911772 DVAQMMDLOZFEFM-OAHLLOKOSA-N 472.619 2.201 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1CCCNS(C)(=O)=O 1705482714 FRSYHWSOMFZXPA-CQSZACIVSA-N 454.394 2.413 30 10 JEEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 1705522977 IIGOHRDIZNLUIX-UHFFFAOYSA-N 452.540 2.379 30 10 JEEE C#CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1CCCNS(C)(=O)=O 1705545651 IPMWYERKVOXYST-UHFFFAOYSA-N 460.785 2.370 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCCOC[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1705563310 UWNAXGOIWRDKRY-YADHBBJMSA-N 483.594 2.029 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCN1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1705566125 YNYMUIMSGCQHGY-SIKLNZKXSA-N 466.611 2.175 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H](C)N1CCN(CC)CC1 1705589792 WVZKVIULOWYTPC-NRFANRHFSA-N 496.059 2.350 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ncccc2N(C)C)CC1 1705646354 XBCOEWDGNGCLAA-UHFFFAOYSA-N 468.565 2.292 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2C[C@H]2CCN(CC)C2)CC1 1705651506 ZCHRKRHMMPCTLV-NRFANRHFSA-N 464.614 2.473 30 10 JEEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1705799814 HGZZGPITVHPPMJ-QGZVFWFLSA-N 473.665 2.182 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)NC(CC)CC)nnc2N2CCN3CCOC[C@@H]3C2)cc1 1705909881 KQCZIUAARLWYQP-NRFANRHFSA-N 468.602 2.330 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCC(Cn2cncn2)CC1 1705935279 MBRMXJNNKYNKAU-UHFFFAOYSA-N 473.578 2.117 30 10 JEEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1722332148 DOFGCPRSBKOWTE-ZWKOTPCHSA-N 476.578 2.277 30 10 JEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1C[C@H]1NC(=O)CC1(C)C)[C@@H]1CCS(=O)(=O)C1 1722360098 RYRDSCIRQBCTNE-QZTJIDSGSA-N 476.002 2.140 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1CC(C)(C)N[C@H](C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1722361696 OJXKNAQUIVLVPC-CTNGQTDRSA-N 493.637 2.491 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CC1(N(C)C)CCC1)[C@@H]1CCS(=O)(=O)C1 1722370955 SUTNSALQWUQENT-HXUWFJFHSA-N 471.627 2.277 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCn2ccnc21 1722417380 FROGXFYGEFMBNW-MJGOQNOKSA-N 485.589 2.441 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC[C@@H](C)N2CCCCC2)CC1 1722443142 DCXRIMZGLSXBHK-RLWLMLJZSA-N 486.661 2.161 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc4cccnc34)n2C[C@](C)(O)CCOC)CC1 1722445415 PTBHPDUJYXZVEE-AREMUKBSSA-N 476.581 2.247 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2cccnc2OCCCC)CC1 1722446030 KEJBALOGDBKDHN-UHFFFAOYSA-N 476.585 2.267 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1722502171 RMUVTXXOEJHWER-GPXNEJASSA-N 476.666 2.027 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1722511137 XBBNGERPNOJYAP-DHLKQENFSA-N 481.645 2.236 30 10 JEEE C=CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1722598521 JMXCITFNLSAXIL-GOSISDBHSA-N 457.966 2.432 30 10 JEEE C=CCCCCn1c(Cc2ccncc2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1722605584 MFFOUZKGGAFXDK-OAQYLSRUSA-N 474.631 2.251 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1722729910 ANSOVJNEXLAMOK-SFHVURJKSA-N 477.587 2.043 30 10 JEEE COCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(O)(C(F)(F)F)CC1 1730628868 BIGREPRZBQYBKN-IBGZPJMESA-N 453.465 2.498 30 10 JEEE N#C[C@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CCC(=O)NCc2ccccc2)CCO1 1731185804 FBYGBDKGGZMNAH-KRWDZBQOSA-N 484.358 2.471 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CC1(C2CC2)CCC1)[C@@H]1CCS(=O)(=O)C1 1740615823 LXNMGVLLBHGZDL-LJQANCHMSA-N 461.632 2.404 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@@H](C)CN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1740620710 XCYDLSOTPKFOPA-PZJWPPBQSA-N 471.627 2.312 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCOCC(F)F)[C@H]1CCS(=O)(=O)C1 1740628904 WEZLJHBMPYXSEC-LZLYRXPVSA-N 474.574 2.105 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1ncnn1C(C)(C)C 1740639589 XFIIEKNAUHBLRJ-UHFFFAOYSA-N 469.553 2.143 30 10 JEEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(NC(C)=O)nc1 1740648593 IQZAUTGWDNONCJ-DEOSSOPVSA-N 450.543 2.183 30 10 JEEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](C)N1CCC[C@H](C)C1 1740683654 MHSONHWLJSIEEA-VQTJNVASSA-N 487.674 2.445 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCN1CC 1740685911 NGILRTDSOCLFBW-WOJBJXKFSA-N 476.622 2.157 30 10 JEEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2CCCNC(=O)C2CCC2)CC1 1740696723 DBTIVIPVRYUFBN-UHFFFAOYSA-N 456.541 2.209 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CC(=O)NC2CCCCC2)CC1 1740697439 DXGZGKDCVZAHQT-UHFFFAOYSA-N 496.612 2.175 30 10 JEEE C=C(Br)Cn1c(COc2cccc(C)c2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1740748077 GJBDFRFXRADCSA-UHFFFAOYSA-N 489.418 2.475 30 10 JEEE C=C(Br)Cn1c(N2CCC(CNC(C)=O)CC2)nnc1[C@]1(OCC)CCOC1 1740748415 FWPOFMLUDHQLHY-IBGZPJMESA-N 456.385 2.191 30 10 JEEE C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 1740943216 ZSNAUGPDYXSIFG-UHFFFAOYSA-N 464.505 2.011 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC(N2CCCNC2=O)CC1 1740956765 PPJCCWOGSFHSPF-UHFFFAOYSA-N 487.992 2.293 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N(C)CC(=O)Nc1ccc(C)cc1 1740989267 HFQHDJKRQJWYMX-UHFFFAOYSA-N 454.556 2.324 30 10 JEEE C=CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1740997315 YICWJVKZBSLHTK-SJLPKXTDSA-N 475.018 2.496 30 10 JEEE CCc1nnc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@@H](NC(C)=O)C2)s1 1744518383 BVYYOXIZQZGHSU-QGZVFWFLSA-N 466.571 2.296 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H](C)c1ncc(C)s1)[C@H]1CCS(=O)(=O)C1 1748815741 TTWPMWISFSTTPP-JQHSSLGASA-N 463.629 2.367 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@H]1CCSC1)[C@@H]1CCS(=O)(=O)C1 1748823931 FUCCFPJZYALMNN-SJLPKXTDSA-N 464.588 2.376 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](CC)Oc1ccccc1F 1748929706 OCNZFDASZKNZRS-FXAWDEMLSA-N 479.578 2.067 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CC(F)(F)C1 1748944862 HMHIWYOZKKHBJO-IBGZPJMESA-N 497.543 2.435 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCCC(C)(C)COC)CC1 1748984331 JTTAILZUXPAASJ-UHFFFAOYSA-N 463.590 2.129 30 10 JEEE C#CCN1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCCCSC)CC1 1748990553 YHQCTLFCISHSFA-UHFFFAOYSA-N 454.648 2.351 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2CCCNC(=O)C(C)C)CC1 1749003581 NWVYIERYBHJTLB-UHFFFAOYSA-N 466.586 2.082 30 10 JEEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1749232572 PHPFBNLIWNSKDB-LJQANCHMSA-N 460.604 2.054 30 10 JEEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](COc2ccccc2)C1 1749268747 GLBRLSNSMUMQKK-PKOBYXMFSA-N 482.006 2.269 30 10 JEEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1749677163 QCJSWZCNABGJHA-FQEVSTJZSA-N 485.596 2.132 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccnc(C(F)(F)F)c2)C1 1749711723 BLSHAPRQRZHPJF-HOTGVXAUSA-N 471.505 2.424 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCc2ccc(OCC)cc2C1 1749721223 DCNFPRBHLQMUAR-UHFFFAOYSA-N 473.599 2.076 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1c1cccs1 1749734940 ODRMOLQHXNXTIC-JKSUJKDBSA-N 470.642 2.184 30 10 JEEE C[C@H](CC#N)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCC1(O)CCOCC1 1751093920 AKKYBLVBVNVFPP-GOSISDBHSA-N 454.579 2.122 30 10 JEEE Cc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(c3cc(C#N)ccn3)CC2)c(C)c1 1751515482 HLPPMDFZPMULST-IBGZPJMESA-N 494.625 2.147 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2cccc(C)c2C)n1CC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1760181504 WGHIGTNYNLIECW-RBUKOAKNSA-N 460.600 2.433 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCCN1CC)[C@H]1CCS(=O)(=O)C1 1760183292 NZPTWXNWXNVCJV-VXKWHMMOSA-N 466.611 2.318 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CCC2CC(OCC)C2)CC1 1760271614 DMGVIWFWYBAKME-UHFFFAOYSA-N 450.587 2.435 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)COC)CC1 1760325551 QRUDHQFUWXNNFK-WMZHIEFXSA-N 457.550 2.284 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1760517954 CXJDNNOOWQDXAS-HNNXBMFYSA-N 499.012 2.148 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCN(C(=O)C(C)C)CC1 1760518503 WDSZNLLKNOHJIE-UHFFFAOYSA-N 484.601 2.348 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1760548709 NICKJWNVLNNOLY-MDZRGWNJSA-N 493.561 2.093 30 10 JEEE C=CCS(=O)(=O)CCn1c(N(C)CC2CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1760558085 FYUVOZXSDZMWQR-CALCHBBNSA-N 453.609 2.496 30 10 JEEE C=CCSCCn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1760563165 JHCPLNGVSZRVKS-UHFFFAOYSA-N 475.018 2.445 30 10 JEEE CCC[C@@](C)(O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1765458123 HQHOUJOGIOCNMC-XMMPIXPASA-N 463.590 2.284 30 10 JEEE CCC[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1765462208 CSZUKZDDJLFSEU-SQJMNOBHSA-N 482.585 2.107 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N(C)C[C@H](C)C(=O)NC 1772659900 RHRXLKPWWKUEJD-ZDUSSCGKSA-N 457.959 2.157 30 10 JEEE COc1cc2cc(C#N)c(SCC(=O)NCCc3ccc(S(N)(=O)=O)cc3)nc2cc1OC 1858203350 ZKTOUAXYHAWEIA-UHFFFAOYSA-N 486.575 2.222 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCNC(C)=O)[C@H]2c2ccc3c(c2)OCCO3)cc1 1862692652 QAAMMSMPAKBEQP-NRFANRHFSA-N 452.463 2.181 30 10 JEEE C=CCN(CC=C)C(=O)[C@@](C)(CC)NC(=O)CCS(=O)(=O)c1ccc(OC)c(OC)c1 1868739919 WGVIDTUBXJSFKR-JOCHJYFZSA-N 452.573 2.353 30 10 JEEE CCCNC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1cccc(OC)c1O 1874338301 PJVQSCKXOKDNQH-JKHIYUEESA-N 474.587 2.217 30 10 JEEE COc1ccnc(N2CCN(C(=O)[C@H]3SCC(=O)N(C(C)C)[C@H]3c3ccc(C#N)cc3)CC2)n1 1889660698 MGVAWYVBKPOTHM-VXKWHMMOSA-N 480.594 2.099 30 10 JEEE CN(C(=O)c1cc(Br)ncc1Br)C1CN(c2nccnc2C#N)C1 1891757335 CPVWKLPAMGNKMT-UHFFFAOYSA-N 452.110 2.229 30 10 JEEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)N2C[C@@H](O)CC23CN(C(=O)OC(C)(C)C)C3)C1 2066531234 REXKEWUHGPPOBS-INIZCTEOSA-N 451.564 2.430 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@](C)(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2180985607 RJYCNWCGAGWRPE-QRQCRPRQSA-N 462.356 2.177 30 10 JEEE CC(C)(C)OC(=O)N1CC(ONS(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2255953331 HKDLVEHMEGOXDR-UHFFFAOYSA-N 474.410 2.018 30 10 JEEE COC(=O)C1(Nc2nccc(B3OC(C)(C)C(C)(C)O3)c2F)CN(C(=O)OC(C)(C)C)C1 2266070985 DNYUYFZLNNJOAG-UHFFFAOYSA-N 451.304 2.094 30 10 JEEE Cc1cc(C(=O)N2C[C@H](O)C[C@H]2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2267160228 OMNNMSBQVNHUSW-LSDHHAIUSA-N 466.409 2.456 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@](C)(CNC(=O)c2occc2B2OC(C)(C)C(C)(C)O2)C1 2267178527 DGSOTUAQTMYCRM-JOCHJYFZSA-N 450.341 2.335 30 10 JEEE Cc1cc(C(=O)N[C@@H](C)C2(O)CN(C(=O)OC(C)(C)C)C2)sc1B1OC(C)(C)C(C)(C)O1 2267232536 SQXDNNHBDSEHCH-AWEZNQCLSA-N 466.409 2.456 30 10 JEEE CCO[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)o1 2267558401 BLXGEJLXHVYVBI-UNEWFSDZSA-N 450.341 2.379 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C1)[C@@H]2NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2267718115 OHJYOKLRMQKIGW-BCDXTJNWSA-N 464.393 2.129 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@](O)(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2F)C1 2281776409 RSHALOCKIMDNQV-HSZRJFAPSA-N 464.343 2.227 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C[C@H]1CC(F)F 2281927554 AUELYUXHJUKLLD-CYBMUJFWSA-N 470.326 2.426 30 10 JEEE Cc1nn(C)c(C(=O)N2C[C@@H]3[C@H](CCN3C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2281983483 UZPRXOXMANUKLF-HZPDHXFCSA-N 460.384 2.109 30 10 JEEE 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)sn2)C1 2281995823 HXTDXTGWAICHHU-OCCSQVGLSA-N 481.380 2.025 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@H](O)CN(C(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2F)C1 2282399420 NPXDABAKDAFSBI-GJZGRUSLSA-N 464.343 2.225 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C(=O)O)N(C(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2282521223 WMHUOMRUZLEBOV-CHWSQXEVSA-N 481.380 2.025 30 10 JEEE Cn1cc(C(=O)N[C@@H]2[C@H]3CCCCN(C(=O)OC(C)(C)C)[C@H]32)nc1B1OC(C)(C)C(C)(C)O1 2282552398 QDURHAXRLWHPSI-DJIMGWMZSA-N 460.384 2.237 30 10 JEEE CCc1nn(C)c(C(=O)NC2[C@@H]3CN(Cc4ccccc4)C[C@@H]23)c1B1OC(C)(C)C(C)(C)O1 2282560698 OVTINTZCVQKBQF-QZTJIDSGSA-N 450.392 2.142 30 10 JEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC1(CO)CCN(C(=O)OC(C)(C)C)CC1 2282563624 ICSAHABGJLYFRE-UHFFFAOYSA-N 464.368 2.379 30 10 JEEE Cc1c(C(=O)NCCCC2CN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282594019 YPOQTDXILXWIIG-UHFFFAOYSA-N 462.400 2.405 30 10 JEEE CC(C)(C)OC(=O)N1CCOCCN1S(=O)(=O)Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2282842723 BZZCYFSSNNUTJZ-UHFFFAOYSA-N 482.408 2.300 30 10 JEEE CC[C@@](C)(O)CN(Cc1ccccc1)S(=O)(=O)c1nc(C)n(C)c1B1OC(C)(C)C(C)(C)O1 2282843104 IFAZRXAAODEHPB-HSZRJFAPSA-N 477.436 2.380 30 10 JEEE COc1ccc(S(=O)(=O)NCC=CCNC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2282882999 UHNURUHCHDRKCQ-UHFFFAOYSA-N 482.408 2.354 30 10 JEEE CC(C)(C)OC(=O)NCCC1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(O)cc2O)C1 2282967713 QMJZFBSTBJHFQW-UHFFFAOYSA-N 462.352 2.384 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1[C@H](NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)C2 2283060423 METGQMDSEZMDSM-XHSDSOJGSA-N 458.368 2.294 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)N1CCc2ccc(B3OC(C)(C)C(C)(C)O3)cc21 2283965014 QRTZLGWHVIYZDW-HKUYNNGSSA-N 458.364 2.245 30 10 JEEE CC(C)(C)OC(=O)NCCOCCOCCNc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2284353382 FVFHNAJPWSWOLI-UHFFFAOYSA-N 469.363 2.490 30 10 JEEE CCN=C1S[C@@H](C(=O)Nc2ccccc2)CC(=O)N1CCc1ccc(S(N)(=O)=O)cc1 2297709460 GSBJYDUBUVCXBW-GOSISDBHSA-N 460.581 2.225 30 10 JEEE NC(=O)CSc1nnc([C@H]2CC(=O)N(Cc3ccccc3)C2)n1N=Cc1ccc2c(c1)OCCO2 2325917673 UPWXXAYMCSOHHI-SFHVURJKSA-N 492.561 2.025 30 10 JEEE CC(=O)NCc1nnc(SCC(=O)N[C@H](C)c2ccccc2)n1N=Cc1ccccc1O 2330794334 XXCSDZHDTZHHHJ-OAHLLOKOSA-N 452.540 2.472 30 10 JEEE CC#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 2337801957 NKCRKSJIWPUKDH-LXZJYRNTSA-N 465.591 2.227 30 10 JEEE Cc1scc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2O)c1B1OC(C)(C)C(C)(C)O1 2343502844 UEXNWGBKJHCABR-HZPDHXFCSA-N 466.409 2.456 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)n1C 2362340160 MISSEOZQTSOZBM-BZUAXINKSA-N 460.384 2.155 30 10 JEEE C=CCn1c(SCCCn2c(=O)c3c(ncn3C)n(C)c2=O)nnc1-c1ccc(F)cc1 24719092 QSTKDMRZUVEWAF-UHFFFAOYSA-N 455.519 2.200 30 10 JEEE N#C[C@H]1C(=O)Nc2nc(N3CCC4(CC3)OCCO4)[nH]c(=O)c2[C@H]1c1c(F)cccc1Cl 72444280 PNHDBECWMOCEBC-BXUZGUMPSA-N 459.865 2.129 30 10 JEEE CSc1ccc([C@@H]2c3c(nc(N4CCC5(CC4)OCCO5)[nH]c3=O)NC(=O)[C@@H]2C#N)cc1 72444344 AHWGDHFZUBSQBE-CVEARBPZSA-N 453.524 2.059 30 10 JEEE N#Cc1cccc(NC(=O)C2CCN(S(=O)(=O)c3cc(C(=O)N4CCOCC4)cs3)CC2)c1 85641547 XQGRLLPSSPRRFN-UHFFFAOYSA-N 488.591 2.132 30 10 JEEE C=CCN(c1ccccc1OC)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H](C)C(N)=O)c1 115336503 GJWWYEJDURFPIA-ZDUSSCGKSA-N 451.932 2.334 30 10 JEEE CC(C)CC(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1Cc1ccccc1 522388900 XVXYDICUMNSWGG-UHFFFAOYSA-N 480.611 2.480 30 10 JEEE COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(C)c2)c(=O)n1Cc1ccccc1 609219836 CDHPHGPBXCZLMH-KRWDZBQOSA-N 465.550 2.060 30 10 JEEE CCC[C@@H]1CN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)CCN1Cc1ccccc1 1192514534 HEQYMEAJLSDEEW-JOCHJYFZSA-N 450.587 2.490 30 10 JEEE C#CCN(c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1286381286 FXBHSQDXIPFCQG-SJLPKXTDSA-N 489.667 2.236 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@H](C)CNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1286384319 HRHZSKVFILWOKX-DLBZAZTESA-N 467.636 2.363 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H](OC)[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1286388928 WYTYLGZECUGOEG-KPLVRAHFSA-N 488.610 2.404 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1cc(Cl)c(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1286398098 GMRLGMMRPMTNMB-SJLPKXTDSA-N 495.001 2.475 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccnc(OCC(F)(F)F)c2)CC1 1286471799 ABCCOAKRVUJZOD-JOCHJYFZSA-N 494.518 2.070 30 10 JEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC(Oc2cncc(Cl)n2)CC1 1286494180 KAGOPXRUJHPPTN-UHFFFAOYSA-N 463.995 2.274 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(C(OC)OC)c1 1286517488 RVPLIMWWEGRFKU-KSFYIVLOSA-N 461.588 2.220 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCCO2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1286555105 JWDWGLLKKBEFGY-MKXGPGLRSA-N 453.609 2.019 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1286744709 KTWALGAEPVIRDM-IEBWSBKVSA-N 463.579 2.395 30 10 JEEE C=CCN(Cc1cccs1)c1nnc(-c2cnccn2)n1CCS(=O)(=O)N1CCSCC1 1286749852 ZXVJSPQIFLETDK-UHFFFAOYSA-N 491.668 2.368 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1286786848 JUNMKLCQOMYSJD-UHFFFAOYSA-N 451.575 2.180 30 10 JEEE CC(=O)N1CCN(CCn2c(COc3ccc(C#N)cc3)nnc2N(C)CC2CC(F)C2)CC1 1286889913 NERNSZPKIBHTPM-UHFFFAOYSA-N 469.565 2.077 30 10 JEEE CCOC(=O)Cn1ccc2cc(NC(=O)[C@@H](C)NS(=O)(=O)c3cccc(C#N)c3)ccc21 1292334899 IBDKGUFGCNAOEX-OAHLLOKOSA-N 454.508 2.382 30 10 JEEE CC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCOC(C)(C)C2)CCN1CCOC 1293541199 HZEPQZNUUMVTFO-HSZRJFAPSA-N 481.645 2.475 30 10 JEEE CN(C)S(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(OCC2CC2)CC1 1298096626 FYTAYFIZPJTYOO-UHFFFAOYSA-N 458.588 2.104 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2C[C@@H]2CCOC[C@H]2C)c1 1300337320 ZBOMUNMZDPGXBG-QUCCMNQESA-N 464.570 2.129 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@@H]1CCC[C@H]1OC)[C@@H]1CCS(=O)(=O)C1 1300498999 ONHREMURVVAGJN-TUNNFDKTSA-N 472.611 2.319 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@](C)(O)[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1300500504 ADSCHHGQQLCXEB-IZIIKQMZSA-N 458.628 2.487 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1CCCS(=O)(=O)C1 1300535144 HZHCQZZIKVSDQI-VQTJNVASSA-N 489.642 2.290 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(Br)c[nH]2)n1CCCN1CCC(O)CC1 1300561956 WJFYQXMMJDTMND-UHFFFAOYSA-N 459.392 2.345 30 10 JEEE C#CCN(CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@]1(C)CN(C2CC2)C1=O 1300605092 XTBKMRDBLZUJHC-DEOSSOPVSA-N 453.543 2.441 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(C)o2)n1C[C@]1(O)CCS(=O)(=O)C1 1300644191 YNRSXXHQYFOVOR-JOCHJYFZSA-N 458.515 2.175 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@](C)(O)c2ccco2)CC1 1300718793 FMEVRMXTUPAWOZ-RUZDIDTESA-N 463.538 2.420 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](C)NC(=O)OC(C)(C)C)CC1 1300731342 PFAXPZAOCRVSBL-GOSISDBHSA-N 498.632 2.019 30 10 JEEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@H](OCCOC)C1 1300756986 YKSOVBYTNNNCQK-SFHVURJKSA-N 482.610 2.190 30 10 JEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)OCc2ccccc2)CC1 1300767679 DRQYZLSGLHMHMQ-UHFFFAOYSA-N 482.610 2.226 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CCS(=O)(=O)CC 1300870200 RAYAJKRMTIOWTK-AZUAARDMSA-N 496.655 2.201 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CCOc2ccccc2)nnc1N(C)CC(=O)N1CCOCC1 1300889308 BPNDZNQCGBLYET-HYBUGGRVSA-N 469.586 2.176 30 10 JEEE C=C(C)COCCn1c(COc2ccc(Br)cc2)nnc1N1CCS(=O)(=O)CC1 1301000322 QYPLEQMDVNBZPB-UHFFFAOYSA-N 485.404 2.447 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2cc(OC)cc(OC)c2)CC1 1301043954 FSIUEOSUWUEKSN-GOSISDBHSA-N 496.033 2.272 30 10 JEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(NC(=O)N(C)C)cc2)CC1 1301105530 KPQJJRLWIGVTIQ-MRXNPFEDSA-N 475.619 2.433 30 10 JEEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNc1nccc(C(F)(F)F)n1)C1CC1 1301326739 HPOFBECKTSDZAL-ZDUSSCGKSA-N 471.509 2.256 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(=O)N(C)C 1301424050 GTWLVHALFOEXPN-QGZVFWFLSA-N 450.584 2.120 30 10 JEEE COCC[C@](C)(O)Cn1c([C@@H]2CCOC2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1301448233 FZPNSBDYSKJJOO-RDGATRHJSA-N 468.602 2.153 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1301576173 APQYNYCUQWTYKV-LAUBAEHRSA-N 450.561 2.222 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccccc1CN1CC[C@H](O)C1 1301970589 HNDXRNSKKJVVHE-RXVVDRJESA-N 493.637 2.480 30 10 JEEE CC[C@@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1305626357 BUKPHBQROOEBDV-APWZRJJASA-N 458.588 2.135 30 10 JEEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCC1(COC)CCC1 1314393230 BOFRQLJUBSBPRE-SFHVURJKSA-N 454.579 2.398 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@@H](C)N(C)C1CC1)[C@H]1CCS(=O)(=O)C1 1358959034 AMZQITKYLRQANS-MJGOQNOKSA-N 457.600 2.063 30 10 JEEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC[S@](=O)C(C)(C)C 1358993093 FRMUWWBAWCWCBL-XIFFEERXSA-N 467.643 2.462 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C(F)(F)F)cc2)CC1 1359044273 AYXQYDBJLRZVMK-GOSISDBHSA-N 474.487 2.262 30 10 JEEE C#CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](C(=O)OC)C1 1359058029 QOKOEDNIESKCGD-ZWKOTPCHSA-N 493.630 2.342 30 10 JEEE C#CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1359060617 BKTCINBMBPLQEW-VQTJNVASSA-N 455.584 2.480 30 10 JEEE C=C(Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1)c1ccccc1 1359136989 AXDAOVFGFJAYLU-NFBKMPQASA-N 479.629 2.119 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1359137483 RMABBGLFMXDVCM-SOAMZJECSA-N 450.580 2.150 30 10 JEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](O)(c2ccccc2F)C1 1359227993 QWDLFQDHYIAGLE-VGOFRKELSA-N 464.563 2.010 30 10 JEEE C=CCNC(=O)Cn1c(N(C)Cc2ccc3c(c2)OCCO3)nnc1[C@]1(OC(C)C)CCOC1 1359306074 VELFTMJJLOPZNC-DEOSSOPVSA-N 471.558 2.029 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCCO[C@@H](C)C1 1359327124 SNCWAHMRCLBWTG-SFHVURJKSA-N 461.588 2.363 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCN(C(=O)N(CC)CC)CC1 1359329958 AMYZXFLWMNLVDW-UHFFFAOYSA-N 478.594 2.269 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCN(C(C)=O)C[C@H]1C 1359334769 QJASTXOKQALVLE-QGZVFWFLSA-N 470.599 2.008 30 10 JEEE CC(C)CCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1C[C@]1(N2CCOCC2)CCSC1 1359929440 GGJXNIIVPCVZKS-WMZHIEFXSA-N 475.663 2.203 30 10 JEEE C=CCS(=O)(=O)CCNC(=O)c1ccc(-n2ncc(C(=O)OCC)c2C(F)(F)F)cc1 1435647052 KMAWFSATKMBNEL-UHFFFAOYSA-N 459.446 2.398 30 10 JEEE C=C(C)C[C@H](CO)NC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N1CCOCC1 1475918037 UBMCDOSBTPVTHQ-QGZVFWFLSA-N 454.593 2.002 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@@H]1CC[C@@H](C)C1 1493436945 HQJMAWQXRCGIAI-FGTMMUONSA-N 451.579 2.229 30 10 JEEE COC[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCS(=O)(=O)C2)C1 1504682013 HDVIHKGEMMSWBV-PMACEKPBSA-N 473.599 2.416 30 10 JEEE COCCN(CCC#N)c1nnc(-c2ccc(F)cc2Br)n1CC(=O)N1CCOCC1 1504884827 CYJMRTUGCYSNJL-UHFFFAOYSA-N 495.353 2.072 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2Br)n1CC1(O)CCS(=O)(=O)CC1 1507524222 AIMPJYVQAVVAMF-CQSZACIVSA-N 467.389 2.105 30 10 JEEE C#CCCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2nccn3cnnc23)[C@H](C)C1 1507554583 URBYUZHOGMIYOI-GOSISDBHSA-N 478.605 2.153 30 10 JEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1nc([C@H](C)SCC)no1 1507590237 CNMNKKCSEUQCGK-LSDHHAIUSA-N 452.606 2.427 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1Cc1cnn(CC)c1)[C@@H]1CCS(=O)(=O)C1 1507623924 ZEGURQKVYVYXPD-FXAWDEMLSA-N 486.573 2.449 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1CC(C)(C)c1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1507631460 DOZBXVKMZCYEDM-AZUAARDMSA-N 472.611 2.395 30 10 JEEE C#CCN(c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C1CC1)[C@H]1CCS(=O)(=O)C1 1507632659 OSSGTWBAQPOIPB-SFHVURJKSA-N 463.604 2.354 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@](C)(O)C(C)C)[C@H]1CCS(=O)(=O)C1 1507636980 FSJTWPVSNRDOEE-RTXPOLOASA-N 466.648 2.230 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1CC[S@@](=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1507638373 DWYLLUIDBGQKSA-PKHCJMHPSA-N 476.668 2.237 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(Br)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1507643093 GXBUNIYLRAQWMN-MRXNPFEDSA-N 476.400 2.062 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1OCCC1(C)C 1507651965 DBYQPTZJJYUPMM-RTBURBONSA-N 457.575 2.474 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccc3C)n2C[C@H]2CCS(=O)(=O)C2)n1 1507717200 QUBKOMMJDRKPPC-HXUWFJFHSA-N 482.610 2.171 30 10 JEEE C#CCSCCn1c(-c2ccccc2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1507747682 JZQLKBSTLNRPJG-UHFFFAOYSA-N 452.628 2.446 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(COc2cccc(C)c2)n1CCN1CCN(C(C)=O)CC1 1507769676 MCLWTTDDZJARGE-RUZDIDTESA-N 450.587 2.322 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)Cc1ncnn1CC(F)F 1507825483 XQPIODVSNDDDPN-UHFFFAOYSA-N 480.545 2.265 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1507986510 BWEQPUFHQFCYCV-UYAOXDASSA-N 454.575 2.082 30 10 JEEE C=CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1508060937 GZLXQFMEZBAFLU-QUCCMNQESA-N 468.606 2.006 30 10 JEEE C=CCOc1ccc(Cn2c([C@H]3CCOC3)nnc2N2CCC(NC(=O)COC)CC2)cc1 1508099997 AXGZVOVUNNGSCO-IBGZPJMESA-N 455.559 2.127 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1508106972 WKCNLFJZRHHIKE-ROUUACIJSA-N 475.615 2.385 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCOC(C)(C)C1 1508131731 PVYHUKCLKATMPL-UHFFFAOYSA-N 461.588 2.363 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCC([C@@H]2CCOC2)CC1 1508145304 ZFPCPFDEMJXHME-GOSISDBHSA-N 465.645 2.488 30 10 JEEE CC(C)NS(=O)(=O)CCn1c(C2CC2)nnc1N1CCCN(c2ccccc2C#N)CC1 1509783129 BQJBPUJTGDFHOD-UHFFFAOYSA-N 457.604 2.072 30 10 JEEE CO[C@@H]1COCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1518634376 ACLHKNSYYNOZDZ-IYRWYFENSA-N 468.602 2.414 30 10 JEEE C#CCN(C)c1nnc(C(=O)NC(CC)CC)n1Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 1539145044 BQKLPVZLNGKQQW-FQEVSTJZSA-N 452.559 2.432 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ccccc1OC(C)C)[C@@H]1CCS(=O)(=O)C1 1539216515 TXMDZKJZNBBTHQ-LJQANCHMSA-N 466.567 2.197 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc2c(c1)C(=O)NCC2 1539300040 RDTUVURAXFAZEO-AREMUKBSSA-N 461.566 2.116 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN(C)c1ccccc1F 1539322986 BVLNFKZVVPOXRL-LJQANCHMSA-N 457.575 2.309 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2Cc2ccc(-n3ccnc3)c(F)c2)CC1 1539430943 PEDYTOMCPCUPKJ-IBGZPJMESA-N 467.549 2.130 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CCC(=O)NC2CCCCC2)CC1 1539484535 SQRMLQSHEWAFRJ-UHFFFAOYSA-N 477.613 2.069 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2Cc2cccc(Br)n2)CC1 1539489078 GKPSQJBVCPJLFN-QGZVFWFLSA-N 473.375 2.301 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2ccccc2OCC)CC1 1539802930 CBWUHCABXYTKKM-QGZVFWFLSA-N 494.017 2.294 30 10 JEEE C=CC[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(CC)C(=O)C1)c1ccccc1 1539940032 MWOFPHRHFSZDMZ-QUCCMNQESA-N 474.631 2.307 30 10 JEEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1CCc2ccccc21 1540037105 BGPOOACKZSUBKX-RTWAWAEBSA-N 475.615 2.327 30 10 JEEE Cc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1542577359 BZDKKMXCLGSXPE-UHFFFAOYSA-N 454.430 2.076 30 10 JEEE CNC(=O)c1cc(O[C@@H]2CCCN(C(=O)[C@@H]3CCN(c4ccc(C#N)cc4F)C3)C2)ccn1 1556861619 DFPHKWSGCQDXRT-IEBWSBKVSA-N 451.502 2.348 30 10 JEEE C#C[C@H](NC(=O)[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C(C)C)C1CCOCC1 1557579010 NHAIEUARCMQJCS-ROUUACIJSA-N 457.390 2.297 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCCS(C)(=O)=O 1587632248 JLWVOBCWUPUIDI-MRXNPFEDSA-N 453.609 2.285 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@H](CC)OC)[C@@H]1CCS(=O)(=O)C1 1588040204 JIOLRSSNLOQHSI-SJORKVTESA-N 462.572 2.014 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCc1ccc(OC)cc1OC)[C@H]1CCS(=O)(=O)C1 1588049285 DRTXSBZTDLSSGD-SFHVURJKSA-N 469.567 2.160 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@@](C)(O)c1ccco1)[C@H]1CCS(=O)(=O)C1 1588059456 OLUSFVPRELUCSM-WMZHIEFXSA-N 472.542 2.135 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H]1CCSC1(C)C)[C@H]1CCS(=O)(=O)C1 1588064302 FWFXDIWIPMEGMI-OALUTQOASA-N 459.641 2.422 30 10 JEEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 1588265903 JXIHSTYUXMMGDH-DLBZAZTESA-N 480.635 2.137 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CC(F)(F)CO1 1588398514 GHUPNJLTGCAHFK-HOTGVXAUSA-N 455.506 2.470 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCN(CC)C2CC2)CC1 1588907356 AQTDCUFVQLCRHJ-UHFFFAOYSA-N 455.994 2.444 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](c2ccc(F)cc2)N(C)C)CC1 1588923760 LIQRSTLOWRQOCH-QFIPXVFZSA-N 478.576 2.086 30 10 JEEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1594783507 CICHTTLGUKCGKT-IXFSTUDKSA-N 456.547 2.291 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1595475118 AAUGHZBQNITUMZ-HBFSDRIKSA-N 472.565 2.016 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(C(=O)CCC2CCCC2)CC1 1595523502 WQNQCVRHNYJDJO-UHFFFAOYSA-N 453.591 2.205 30 10 JEEE C=CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CCn1cccn1 1595871476 RYXGJJFVJAZUBJ-UHFFFAOYSA-N 450.572 2.444 30 10 JEEE COCC(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccco2)CC1 1619556919 GFLBDUXORWGUBI-UHFFFAOYSA-N 450.499 2.101 30 10 JEEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@@H](C)N2CCCCC2)CC1=O 1619938927 HREVAURXYUQPIB-HXUWFJFHSA-N 465.602 2.376 30 10 JEEE CS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(OC[C@H]2CCCCO2)CC1 1620165095 HITNUWCKYYKROP-OAQYLSRUSA-N 473.599 2.416 30 10 JEEE C=CCN1CC[C@@H](N(C)C(=O)Nc2ccc(OCC)c(S(=O)(=O)N(CC)CC)c2)C1=O 1622764105 FUXCGWNBZJKZNV-QGZVFWFLSA-N 452.577 2.366 30 10 JEEE N#Cc1cccc(NC(=O)C2CCN(C(=O)N[C@@H]3CCCN(CC(F)(F)F)C3=O)CC2)c1 1633392406 DJHKKODMRSMBPB-QGZVFWFLSA-N 451.449 2.472 30 10 JEEE C=C[C@](C)(O)CC(=O)N1C[C@@H]2OC(=O)N(C3CCN(C(=O)OCc4ccccc4)CC3)[C@@H]2C1 1633894427 ADNMUTZNBHEWGK-NMMYMHLASA-N 457.527 2.146 30 10 JEEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCC(c4nc(C(=O)OCC)n[nH]4)CC3)n[nH]2)c1C 1639809935 MYDDVMNMKFQIHI-UHFFFAOYSA-N 452.519 2.391 30 10 JEEE C[C@H](CC(=O)N(C)CC(C)(C)NC(=O)OC(C)(C)C)/N=C1/NS(=O)(=O)c2ccccc21 1641379768 GIPIRMQBWKZKFX-CQSZACIVSA-N 452.577 2.265 30 10 JEEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2CN(C)CCO2)n1 1685967654 SPKCLWWEFVXFRY-FCHUYYIVSA-N 459.978 2.400 30 10 JEEE C#CCCCn1c(N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1689941828 VLSIJURHBUPYSX-ATIYNZHBSA-N 480.613 2.081 30 10 JEEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1CC(=O)NCc1ccco1)[C@@H]1CCS(=O)(=O)C1 1689980362 QIFCZZNDOVFTAV-IFMALSPDSA-N 495.605 2.356 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC(=C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1689997053 UWZHRGJJLBZTFP-JOCHJYFZSA-N 464.595 2.480 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H]2CCO[C@H](C)C2)CC1 1690110560 QRUPAVVYHWJETL-QUCCMNQESA-N 471.005 2.432 30 10 JEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 1690180652 IOPJHOTZKUOIFM-SFHVURJKSA-N 460.648 2.144 30 10 JEEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1690437926 UIBPGNXSTPCPGR-SFHVURJKSA-N 466.652 2.111 30 10 JEEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1ccc(C)o1 1690508336 GSLIQYMHWIPAPX-QUCCMNQESA-N 479.603 2.447 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](OCC(C)C)C1 1690672058 GNSPPCWFOYLRMO-OALUTQOASA-N 492.621 2.140 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 1690731220 CXOCUZUDYTWHCR-HBMCJLEFSA-N 492.646 2.258 30 10 JEEE Cc1ccc(Cn2c(-c3cccc(Br)c3)nnc2N2CCO[C@@H](C#N)C2)c(=O)n1C 1693088131 AOAFLIMLSYDKSW-SFHVURJKSA-N 469.343 2.492 30 10 JEEE Cc1cccc(OCc2nnc(N3CCN(c4nccnc4C#N)C[C@H]3C)n2C[C@@H](C)N(C)C)c1 1693224915 DFRPYPYMQJMLGI-WOJBJXKFSA-N 475.601 2.492 30 10 JEEE CCOc1c(OC)cc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)[C@@H](C)CC#N)cc1OC 1696096144 HKKBGHQSOKXVLY-DOTOQJQBSA-N 477.587 2.383 30 10 JEEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(CC)(CC)NC(=O)OC(C)(C)C 1705541317 FUNBKFRISHMFAD-OAHLLOKOSA-N 456.613 2.041 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCC[C@@H]1OC 1705591308 NHJLNGQUKYRDQR-UNMCSNQZSA-N 469.611 2.473 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@@H]1CCS(=O)(=O)C1 1705621616 ITHQZOWCMKBMNW-SJORKVTESA-N 450.536 2.078 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2=CCCCC2)n1 1705631737 OVYFOMAKYPJLOH-FQEVSTJZSA-N 472.615 2.163 30 10 JEEE C#CCN1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CCSCC=C)CC1 1705634756 IDMKFWQZYHMZEJ-UHFFFAOYSA-N 473.672 2.221 30 10 JEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCOc2cccc(OC)c2)CC1 1705642518 WNSAGFOOWQIPMN-UHFFFAOYSA-N 463.586 2.373 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1705646961 UYWVQPCDJHLKJT-LJQANCHMSA-N 452.559 2.071 30 10 JEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(O)(Cc2ccccc2F)CC1 1705659273 QENIPTRGVGSGCW-IBGZPJMESA-N 457.575 2.309 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)CC(=O)NC(C)(C)C 1705697421 VBUGQWGQSKXKBC-NQIIRXRSSA-N 479.589 2.253 30 10 JEEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CC(=O)N(c2ccccc2)C1 1705880227 YUAGFYBMDCKUES-IBGZPJMESA-N 452.559 2.206 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1705934894 ACZZVWAXWSLUTI-UHFFFAOYSA-N 450.609 2.004 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCN([C@@H](C)c3nc(C4CC4)no3)CC2)nnc1C(C)(C)C 1705938865 LGBKVHROEICZNP-INIZCTEOSA-N 477.635 2.320 30 10 JEEE CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCN(C)C(C)(C)C2)C[C@@H]1C 1710285864 GXOUHLZUSKOHEX-NRFANRHFSA-N 480.661 2.285 30 10 JEEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1722318656 QQBZKLPVVJNVOW-MOPGFXCFSA-N 456.616 2.230 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1C[C@@H]1CCCN(C(C)=O)C1)[C@H]1CCS(=O)(=O)C1 1722358837 GJMAFGLRUDVFCQ-NQIIRXRSSA-N 490.029 2.484 30 10 JEEE C#CCN(c1nnc(COc2ccccc2CC)n1Cc1ccc(OC)nc1)[C@@H]1CCS(=O)(=O)C1 1722371976 ZVQGXSNJTJXKII-OAQYLSRUSA-N 495.605 2.498 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC(C)(C)N1CCOCC1 1722380587 QSACYKFQGPODKD-UHFFFAOYSA-N 487.608 2.249 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2Cc2cc(-c3ccccc3)no2)CC1 1722432010 VDDPFHNYKUVETB-IBGZPJMESA-N 450.543 2.461 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCN(CC)C(C)C)CC1 1722446072 LWCAVIDAJRBPIG-UHFFFAOYSA-N 490.612 2.290 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(C(=O)N(CC)CC)cc1 1722467084 LWCXIXLJZFDTMW-MHECFPHRSA-N 486.642 2.411 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(N2CCC(OC)CC2)CCCC1 1722467128 MTGDRGNZKPMHMM-AUSIDOKSSA-N 492.690 2.304 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC2(CCN(C)C2=O)CC1 1722688872 NJYMXIBZJIWHOM-QGZVFWFLSA-N 470.549 2.308 30 10 JEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](c2cccc(OC)c2)C1 1722702825 RPZKZELPOYRHBQ-NRFANRHFSA-N 465.558 2.028 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1723600502 FPSVGJMLKVKSDF-MHECFPHRSA-N 466.590 2.215 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2CC2([S@@](C)=O)CC2)c1 1740562344 IUCCZDHEUVXTJQ-HYHKQLJDSA-N 455.584 2.139 30 10 JEEE C#CCCCn1c(COc2cc(C)ccc2C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1740595048 KOTCFWYDUILPMW-IBGZPJMESA-N 450.543 2.360 30 10 JEEE C#CCN(c1nnc(-c2ccc(Br)cc2)n1C[C@@H](C)OC)[C@H]1CCS(=O)(=O)C1 1740619709 QWGNOCHVTKEURB-PBHICJAKSA-N 467.389 2.369 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCN(C(C)=O)C1 1740671174 ANQFHUDXQDUWDT-PMACEKPBSA-N 474.606 2.305 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2Cc2ccc(N(C)C)nc2)CC1 1740706954 JOYUPDHGEJFQQG-UHFFFAOYSA-N 487.608 2.353 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OC)n2C[C@@]2(O)CCC[C@@H]2C)CC1 1740707417 BDSRWORHUMIJAN-SIBVEZHUSA-N 481.597 2.383 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CN(CC(C)C)CCO1 1740722860 HDSSGDOUFFJBLG-NTKDMRAZSA-N 451.575 2.274 30 10 JEEE C=C(Br)Cn1c(N2CCCN(CC)C(=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1740748992 NZYLQQRFWFDNBZ-LJQANCHMSA-N 456.385 2.286 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N1CCN(CC(=O)NCC)CC1 1740768860 YKJWOGIDPGQTLL-NTKDMRAZSA-N 486.592 2.236 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1740795393 UINXWKBYUDRLOL-FQEVSTJZSA-N 479.647 2.002 30 10 JEEE C=CCNC(=O)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CC[C@H](C)[C@@H]1C 1740962700 LSZLNQJWVUZKQQ-SFTDATJTSA-N 451.619 2.180 30 10 JEEE CC(=O)N1CC[C@@H](CN(C)c2nnc(COc3ccc(C#N)cc3)n2CC[C@@H]2CCOC2)C1 1741034546 RZXYOQSMWLLCHQ-RTWAWAEBSA-N 452.559 2.460 30 10 JEEE CCCNC(=O)CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC(C#N)CC1 1745777257 FFCVCFCMWDIHQW-UHFFFAOYSA-N 472.619 2.203 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cccc(C(=O)NC)c1 1748670830 CLDIECCPQMJNMW-PXNSSMCTSA-N 482.585 2.452 30 10 JEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC[C@@H](C(F)F)N1CCOCC1 1748789444 JWPRUIDYWRNEFK-ROUUACIJSA-N 498.575 2.012 30 10 JEEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1nc(C)c(C)s1)[C@H]1CCS(=O)(=O)C1 1748804313 FQRTUXOVAIQXNV-PGRDOPGGSA-N 493.655 2.067 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H](c1cccs1)N(C)C)[C@H]1CCS(=O)(=O)C1 1748819952 VKNSPYLUKBDUST-PMACEKPBSA-N 484.651 2.255 30 10 JEEE C#CCN(c1nnc(CSc2ccccc2OC)n1C[C@@H](C)OC)[C@H]1CCS(=O)(=O)C1 1748824257 MNASVUZYAVCOJO-SJORKVTESA-N 464.613 2.241 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccccc2-n2ccnc2)CC1 1748971192 GRPHRIQOKAFRPR-UHFFFAOYSA-N 460.586 2.186 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@](C)(O)CC)CC1 1749003452 KMYCQASLHDSJCQ-DEOSSOPVSA-N 455.559 2.089 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(C(C)(C)O)cc2)CC1 1749016003 WCMXBKSONJRBDS-UHFFFAOYSA-N 489.624 2.381 30 10 JEEE C=C(C)Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1749183241 UDDQNRIHSDIDQM-UHFFFAOYSA-N 479.589 2.281 30 10 JEEE C=CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1749414503 FHCOQESBFFXFOX-QGZVFWFLSA-N 484.557 2.410 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCCN(C(=O)c2ccccc2)CC1 1749669143 CDKYTTFKCJPNJK-FQEVSTJZSA-N 452.559 2.174 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H](C)CC)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1749687397 QQNIQJUEOXRLMT-NRFANRHFSA-N 482.629 2.386 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1749687452 SJBKCRMBZAYIBD-IBGZPJMESA-N 454.575 2.334 30 10 JEEE C=CCOc1ccccc1Cn1c(-c2noc3c2COCC3)nnc1N(C)[C@H](C)CS(C)(=O)=O 1749691158 ZVYRXKOMXJPFPV-MRXNPFEDSA-N 487.582 2.488 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2C[C@H](C)O[C@@H](C(F)(F)F)C2)nnc1[C@]1(OC(C)C)CCOC1 1749739966 ONLIYVPGWAOOCB-FCEWJHQRSA-N 496.552 2.076 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CCC(=O)N[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1760183239 NWANGWPBHKMIET-RXVVDRJESA-N 471.627 2.439 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1Cc1ccc(C)nc1)[C@@H]1CCS(=O)(=O)C1 1760186101 KPPZNFFIIBCXJL-OAQYLSRUSA-N 453.543 2.386 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1CCCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1760190014 NTAVXIFPDHSTCS-LJQANCHMSA-N 458.613 2.152 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1nc(C)cs1 1760197161 RHXAMRBYZQZNEF-UHFFFAOYSA-N 454.581 2.081 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CCOC[C@@H]1OC 1760253977 ZVGZEHTVSSICED-ZRNYENFQSA-N 477.606 2.186 30 10 JEEE C#CCSCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1760274329 MRKOEWJXBRZJEN-KRWDZBQOSA-N 456.597 2.325 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)N1CCOCC1 1760318281 FHLPUGCACJLDNJ-IFMALSPDSA-N 450.543 2.093 30 10 JEEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC2(CCC2)C[C@@H]1CC 1760358251 SXPOIFZNWULWFF-RBUKOAKNSA-N 467.636 2.363 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1760514955 PICSTNNBCSSUDQ-OALUTQOASA-N 452.559 2.312 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)ccc2Br)nnc1N1C[C@H](C)O[C@@H](COC)C1 1760517290 INMIQTUJCRNEBF-GOEBONIOSA-N 494.390 2.259 30 10 JEEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCCN(C(=O)C(C)C)CC1 1760522986 IUUUWHHKDYJHGP-UHFFFAOYSA-N 463.586 2.434 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1760524530 AAFRDTMCJDKVDO-NRFANRHFSA-N 465.602 2.062 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cn2ccc3ccccc32)nnc1N1CCN(CC(C)C)C(=O)C1 1760557198 CSQYITNBOXTHPZ-UHFFFAOYSA-N 484.626 2.187 30 10 JEEE CCN(c1nnc(COc2ccc(C#N)cc2)n1CC1([S@@](C)=O)CCC1)[C@@H]1CCS(=O)(=O)C1 1764823328 HCPYLBSZBAHEMV-ZUQCGGBESA-N 491.639 2.043 30 10 JEEE CCn1cc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC=C(c3ccc(C#N)cc3)CC2)cn1 1765321754 CUBMIJABERFVMD-QGZVFWFLSA-N 480.598 2.318 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H](C)O)[C@H]2c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1F 1862647835 MCUSHCISFPUGOY-GIPWTMENSA-N 488.424 2.473 30 10 JEEE COC(=O)c1ccc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2CCCNC=O)cc1 1862745397 IDSLMHJUXRCXJF-LJQANCHMSA-N 467.434 2.096 30 10 JEEE C=CCn1cc(OCC(=O)Nc2ccc(C(=O)OCC)cc2)c(=O)cc1CN1CCC(CO)CC1 1870705949 QZDRYXPUICEKRG-UHFFFAOYSA-N 483.565 2.433 30 10 JEEE C=CCn1c(C(=O)NCCc2ccc(OC)c(OC)c2)cc2c(N3CCOCC3)ncnc21 1873591278 GFSBBKJIQVUIPS-UHFFFAOYSA-N 451.527 2.444 30 10 JEEE COc1ccc(OCc2nnc(SCC(N)=O)n2/N=C/c2cc(OC)c(OC)cc2OC)cc1 1874292953 URJKUZKXPAIIAP-BHGWPJFGSA-N 487.538 2.351 30 10 JEEE CCN1CCN(CC#CCOC2CCN(S(=O)(=O)Cc3cccc(Cl)c3)CC2)CC1 1889659456 IHCUMJOGDUYRFD-UHFFFAOYSA-N 454.036 2.292 30 10 JEEE COc1cccc(-n2nnc3c(N4CCN(C(=O)c5ccc(C#N)c(F)c5)CC4)ncnc32)c1 1891126005 MUQURJNPNMFMMM-UHFFFAOYSA-N 458.457 2.192 30 10 JEEE CC(C)(C)OC(=O)N1Cc2[nH]cnc2C[C@H]1C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 2124625749 JYLNQUKXZDLPRB-RXVVDRJESA-N 450.543 2.308 30 10 JEEE C=CC1(NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)C(F)(F)F)CN(C(=O)OC(C)(C)C)C1 2246890642 VBTULNGTXQBDCD-NWDGAFQWSA-N 453.458 2.095 30 10 JEEE C[C@H](O)CN(Cc1ccccc1)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2247902334 UXHFAUTYULYACN-HNNXBMFYSA-N 452.407 2.155 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1COC[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2255611581 VHRDHERTYLTADP-ZFWWWQNUSA-N 452.382 2.317 30 10 JEEE CC(C)(C)OC(=O)N1CCS[C@@H](C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C1 2256620082 DVULLPUMRFSJHU-CYBMUJFWSA-N 469.438 2.411 30 10 JEEE CC(C)(C)CN(CC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)C(=O)OC(C)(C)C 2256677186 BDUMUSBZHDQXQA-UHFFFAOYSA-N 454.402 2.481 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](CNC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)CO1 2267159811 LVSUOFYNWWMVMX-KBPBESRZSA-N 467.397 2.102 30 10 JEEE Cn1nc(C(=O)NC[C@H](NC(=O)OC(C)(C)C)C2CC2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2267192327 PACZOCDNCIRTHI-ZDUSSCGKSA-N 468.791 2.406 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2267360323 TWYAKHXJAUTSOA-OAHLLOKOSA-N 470.372 2.413 30 10 JEEE CS[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1 2267486210 JXZNQHIXTGYESC-IAGOWNOFSA-N 463.409 2.462 30 10 JEEE C[C@@H]1C[C@@H](NC(=O)C(F)(F)F)CCN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2267712376 DRZHUQHWDZFODN-NEPJUHHUSA-N 482.355 2.267 30 10 JEEE Cn1ncc(C(=O)N2C[C@@H]3CN(Cc4ccccc4)C[C@@]3(C)C2)c1B1OC(C)(C)C(C)(C)O1 2281816570 YSAMSCOSLNFSKZ-DFBJGRDBSA-N 450.392 2.313 30 10 JEEE CCN(CC(C)(C)CNC(=O)OC(C)(C)C)C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2281955189 IFVRPMUVXSHYKU-UHFFFAOYSA-N 465.404 2.127 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCC[C@H](CNC(=O)C(F)(F)F)C2)n1 2282037824 AKPGCDMDNCNJCP-CQSZACIVSA-N 455.286 2.220 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CN(C(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)[C@@]2(CCOC2)C1 2282204410 JKFFQGNEVMGPAS-CMJOXMDJSA-N 462.352 2.477 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2[C@H](NS(=O)(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)c(F)c3)[C@H]2C1 2282325408 DUUUBBYXHHCDOR-HWWDLCQESA-N 482.383 2.269 30 10 JEEE CC(C)(C)OC(=O)N1CCCC[C@H](NS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282331787 RVOQIKMBGPPGCG-KRWDZBQOSA-N 481.424 2.449 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H]2CN(S(=O)(=O)Cc3ncsc3B3OC(C)(C)C(C)(C)O3)C[C@@H]21 2282496066 VOTYLJZAMHSZRI-HOCLYGCPSA-N 499.464 2.213 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@H]2CN(Cc3ccccc3)C[C@@H]2C1 2282528977 ZIEZAMKWCUDYFJ-VQTJNVASSA-N 450.392 2.313 30 10 JEEE C[C@@H]1CCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C[C@H]1NC(=O)C(F)(F)F 2282861325 MNTWNNXNVDVCJN-CZUORRHYSA-N 476.326 2.063 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@H]1C(=O)N1CCc2cc(B3OC(C)(C)C(C)(C)O3)ccc21 2283974000 WXIMTOVJBNFTOJ-QZTJIDSGSA-N 458.364 2.415 30 10 JEEE C[C@@H](OCc1ccccc1)[C@@H](NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1)C(=O)O 2284411373 JLECRVIIYUOGKC-OXQOHEQNSA-N 475.372 2.323 30 10 JEEE N#Cc1ccc(N2CCC([C@H]3CN(C(=O)c4cc[nH]n4)C[C@H]3C(N)=O)CC2)cc1C(F)(F)F 2297650301 LBXQQIWZGIVDHO-IAGOWNOFSA-N 460.460 2.390 30 10 JEEE C[C@H](C#CC(=O)NCc1nn(C)c(Cl)c1I)NC(=O)OC(C)(C)C 2302424608 XZAOCFZIIOBZRW-SECBINFHSA-N 466.707 2.211 30 10 JEEE CO[C@H](CNC(=O)OC(C)(C)C)CNC(=O)c1cccc(F)c1B1OC(C)(C)C(C)(C)O1 2339940828 DVLYGMJEIPSSSD-AWEZNQCLSA-N 452.332 2.394 30 10 JEEE CN1C[C@H](C(=O)N2CC[C@](C)(B3OC(C)(C)C(C)(C)O3)C2)N(C(=O)OC(C)(C)C)CC1=O 2342471886 BTDXMPUHQFZVDL-QRQCRPRQSA-N 451.373 2.149 30 10 JEEE CC(C)(C)OC(=O)N1CC(OCCNC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2Cl)C1 2362201500 IOXJIZCMANROKT-UHFFFAOYSA-N 481.786 2.400 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CN(c3cc(B4OC(C)(C)C(C)(C)O4)c(F)cn3)C[C@H]2[C@@H]1CO 2372001626 YYUYKTBYAHUUME-DAYGRLMNSA-N 463.359 2.184 30 10 JEEE COC(=O)c1ccc(/C=N/Nc2nnc(SCCC(=O)Nc3ccc(F)cc3)n2N)cc1 20914391 QXOSAXHKBZRYGB-FSJBWODESA-N 457.491 2.485 30 10 JEEE O=C(O)c1ccc(/N=C(\NCCc2ccccc2)N2CCN(CC(=O)N3CCCC3)CC2)cc1 21047117 HYLJKCAIQWTEJD-UHFFFAOYSA-N 463.582 2.445 30 10 JEEE C=CCn1nc(C)c(/C=N/Nc2nc(SCCC(=O)Nc3ccc4c(c3)C(=O)NC4=O)n[nH]2)c1C 59831473 AYXRBVUPRKUUAN-FOKLQQMPSA-N 493.553 2.255 30 10 JEEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(OCc3cc(C)on3)c(Br)c2)CC1 519211416 GUZWFIHTSKKSDY-UHFFFAOYSA-N 477.359 2.385 30 10 JEEE COC(=O)c1ccc(C=NNc2nnc(SCCC(=O)Nc3ccc4c(c3)OCCO4)n2N)cc1 1084047967 YOCMZICEYJAUTJ-UHFFFAOYSA-N 497.537 2.117 30 10 JEEE COc1ccc(C=NNc2nnc(SCC(=O)Nc3ccc(OC)c(OC)c3)n2N)cc1 1084169937 VUXDTMCHOWYLSC-UHFFFAOYSA-N 457.516 2.195 30 10 JEEE COCCSc1nnc(NC(=O)CSc2n[nH]c(NN=C(C)c3ccncc3)n2)s1 1084377915 GWGXMXWOXFZNLZ-UHFFFAOYSA-N 465.590 2.357 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cn3nc(C)cc3C)n2C[C@]2(O)CCSC2)c1 1286311831 MXOWOQALSNPHMJ-XMMPIXPASA-N 479.610 2.064 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccsc1)[C@H]1CCS(=O)(=O)C1 1286383685 NBILPDFKNMJVQQ-RXVVDRJESA-N 464.613 2.055 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H](C)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1286388358 NWLLRYBHNBKCKJ-QUCCMNQESA-N 487.626 2.073 30 10 JEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1cccc(C(=O)N(C)C)c1 1286412706 CIXHPMYXMBPGLD-UHFFFAOYSA-N 482.592 2.275 30 10 JEEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H]1NC(=O)CC1(C)C 1286414061 RGGBUMUWCVYJKN-LJQANCHMSA-N 468.602 2.380 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1nccc(C(F)F)n1 1286426185 MVRCNCZQGOQSNE-UHFFFAOYSA-N 474.475 2.431 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)CCC(=O)NC 1286555085 JQQRVJOJSAGYOP-MGPUTAFESA-N 451.531 2.147 30 10 JEEE C=C(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1286585831 RIWUSAOLOBBZAN-IBGZPJMESA-N 472.565 2.114 30 10 JEEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 1286592590 MHYRAMXTRWWOGY-IAGOWNOFSA-N 453.609 2.497 30 10 JEEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](c2cccc(F)c2)C1 1286608622 SLNHWHNXPFVJRS-PZJWPPBQSA-N 493.605 2.337 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 1286609252 YVRVCFLZQIWJRA-MSOLQXFVSA-N 483.635 2.219 30 10 JEEE C=CCCOCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)Cc1cnn(C)c1C 1286709976 JOGWTDHBWBIHPQ-UHFFFAOYSA-N 462.558 2.463 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](CNC(=O)c2ccccc2)C1 1286788228 SIBHTFJXIQONER-FPOVZHCZSA-N 466.586 2.468 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H]2CCS(=O)(=O)C2)C1 1286806489 CSTQZICKSFJGLZ-CVEARBPZSA-N 452.527 2.363 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC(F)(F)C1 1286819816 WUWCNDMYKBWYLX-UHFFFAOYSA-N 478.525 2.121 30 10 JEEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccnc(N2CCCCC2)c1 1288524528 DRIIOXJXKSZGIW-IEBWSBKVSA-N 457.604 2.352 30 10 JEEE Cn1cc(-c2nnc(N3CCCN(c4ccccc4C#N)CC3)n2CCNC(=O)C(C)(C)C)cn1 1298816174 BXBAYNVHMZFFQQ-UHFFFAOYSA-N 475.601 2.429 30 10 JEEE CO[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1)C(C)C 1299714249 BZYWOQGMLQXOJS-PKTZIBPZSA-N 495.628 2.143 30 10 JEEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCNC(=O)OC(C)(C)C 1300619312 VHWDQUXHIAPDNI-UHFFFAOYSA-N 461.592 2.222 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CC(F)(F)CO2)CC1 1300718215 FVOXKKFULRTEJE-SFHVURJKSA-N 474.468 2.243 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3F)n2Cc2ccc(C(N)=O)nc2)CC1 1300718351 LBGJOWCMHPABFC-UHFFFAOYSA-N 495.946 2.246 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Br)n2Cc2nncn2CC)CC1 1300718889 ICTHLWGFMUCAFP-UHFFFAOYSA-N 497.401 2.333 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CCCOC[C@H]2CCCO2)CC1 1300721825 AOKVVVOHUAGREM-OAQYLSRUSA-N 466.586 2.200 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CSc3ccccc3OC)n2C[C@]2(C)CN(C)C2=O)CC1 1300733518 WONZHBBJHXFCQI-VWLOTQADSA-N 496.637 2.023 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)nnc1C(C)(C)C 1300896721 IXFRQAKLALQORW-UFYCRDLUSA-N 481.663 2.188 30 10 JEEE C=CCC(C)(C)Cn1c(N2CCN(CC(=O)N3CCCC3)CC2)nnc1[C@]1(OCC)CCOC1 1301158741 OGNWNIATYDCBMN-VWLOTQADSA-N 474.650 2.277 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CC(F)(F)C1 1301411543 ZCDBPGHZPJHGKN-SFHVURJKSA-N 485.557 2.484 30 10 JEEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 1301459080 QAMGVOKMTWZKEE-AWEZNQCLSA-N 467.954 2.121 30 10 JEEE C=CCn1c(COc2ccccc2OCC)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1301472912 ZKYATAISMYKWJE-UHFFFAOYSA-N 454.575 2.186 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CCN(c2cnn(C)c2)CC1 1301485589 YUIRONDMNNEHFN-UHFFFAOYSA-N 485.390 2.070 30 10 JEEE CC(C)[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C(N)=O)C1)N1CCCC1 1302528155 GJMXEAMZOZZFPA-PZJWPPBQSA-N 451.575 2.161 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccc(OC(F)F)c(F)c1 1303835633 CUGWEESKFWGTGF-ADLMAVQZSA-N 476.456 2.119 30 10 JEEE CCCN(CC)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1306802158 GWJYVISDLUSSGS-QHCPKHFHSA-N 478.645 2.291 30 10 JEEE COc1ccc([C@H](CNS(=O)(=O)CC2(C#N)CCCCC2)N2CCOCC2)cc1OC 1309034850 BYVDUXKHQUWEPO-IBGZPJMESA-N 451.589 2.471 30 10 JEEE C=CCS(=O)(=O)CCNC(=O)c1cc(Br)ccc1I 1357412609 GFIIDYZLEADTSP-UHFFFAOYSA-N 458.115 2.384 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Cl)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1358897864 HPFWGGUIMOJZQP-HZPDHXFCSA-N 451.980 2.250 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C)c2ccc(F)cc2)CC1 1359044293 BLMIXLGOZGVYPR-JXFKEZNVSA-N 452.534 2.138 30 10 JEEE C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 1359117389 XPFGXXCXZBPDSI-WOJBJXKFSA-N 480.617 2.318 30 10 JEEE C=CCNC(=O)Cn1c(N2CC[C@H](c3ccc(OC)cc3)C2)nnc1[C@]1(OCC)CCOC1 1359305932 QXUKMKBKIWMQHM-CYFREDJKSA-N 455.559 2.235 30 10 JEEE CC(=O)N1CCN(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCC=C(Br)C2)CC1 1359400239 FWPLFLXOUCATLK-UHFFFAOYSA-N 484.402 2.470 30 10 JEEE CC(C)[C@](C)(O)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1359653118 BHBJUXCYSRITRM-GBXCKJPGSA-N 452.559 2.257 30 10 JEEE C#CCn1ccc(CN(CCOC)C(=O)c2cc([C@H]3CCN(C(=O)OC(C)(C)C)C3)[nH]n2)n1 1448853415 AGYFHTOMMVVCPO-KRWDZBQOSA-N 456.547 2.253 30 10 JEEE C#CC[C@@]1(C(=O)N(C)C[C@@H](O)CN(C)C(=O)OC(C)(C)C)CCCN1C(=O)OC(C)(C)C 1454444711 SZIKYCFCDNCNLX-HXOBKFHXSA-N 453.580 2.466 30 10 JEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2C[C@@H]3CCC[C@]3(CNC(=O)OC(C)(C)C)C2)c1 1469863972 YFFNKRWUHGPLMV-MBSDFSHPSA-N 461.584 2.365 30 10 JEEE Cc1c(C#N)c(NC(=O)CN2CCC[C@@H](n3cc(CO)nn3)C2)n(-c2cccc(F)c2)c1C 1473508540 HHNZPJIJAIPWBG-HXUWFJFHSA-N 451.506 2.464 30 10 JEEE CC(=O)N1CCN(C(=O)CCNC(=O)Nc2cnc(Oc3ccccc3C#N)cc2C)CC1 1476832346 BCJWVLGPQRQSRP-UHFFFAOYSA-N 450.499 2.256 30 10 JEEE COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C(C)C)N2CCCC2)CC1 1504530265 AQQTUYOUFJICHY-QFIPXVFZSA-N 465.602 2.232 30 10 JEEE CS(=O)(=O)CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCC[C@@H](O)C1)C1CC1 1505133014 BIGLOTHPMPJPBN-UYAOXDASSA-N 473.599 2.293 30 10 JEEE C[C@H]1CN(CCN(C)c2nnc(-c3cccc(C#N)c3)n2CC2CCS(=O)(=O)CC2)C[C@@H](C)O1 1505289869 ICCYUVNELXEOIK-KDURUIRLSA-N 486.642 2.187 30 10 JEEE C#CCN(c1nnc(CCCc2ccccc2)n1CC(C)(C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1507638852 HGPVJIKXCHRRPC-QHCPKHFHSA-N 499.681 2.191 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCn1cc([C@@H]2CCOC2)cn1 1507680541 IPLABSCRIOZUAT-HXUWFJFHSA-N 497.625 2.056 30 10 JEEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2CC2(O)CCN(C(C)C)CC2)CC1 1507730231 OZUPXSNSLXOJEB-UHFFFAOYSA-N 472.584 2.138 30 10 JEEE C#CCSCCn1c(-c2cccnc2)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1507750567 ZEWJPDZLKMOIDO-UHFFFAOYSA-N 463.567 2.248 30 10 JEEE C=C(C)COCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN2CCOC[C@H]2C1 1507839320 CGIWXVYUXAGADT-HXUWFJFHSA-N 457.575 2.466 30 10 JEEE C=CCCOCCn1c(-c2cc(Br)cn2C)nnc1N1CCN2C(=O)CC[C@@H]2C1 1507958249 RSTOMZQDEAZARS-MRXNPFEDSA-N 463.380 2.450 30 10 JEEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](C)CN1CCOCC1 1507982427 MQMFXEXSJWPUKP-RTBURBONSA-N 464.611 2.177 30 10 JEEE C=CCN(C)c1nnc(COc2cc(C)cc(C)c2)n1CCS(=O)(=O)N1CCSCC1 1507985410 BTWXPVRZTTZFIG-UHFFFAOYSA-N 465.645 2.475 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(Cc3ccc(F)cc3)n2CCS(=O)(=O)N2CCSCC2)C1 1508125759 IRJPNTFZQNYMQN-FQEVSTJZSA-N 495.646 2.168 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccccc1C(F)(F)F 1508139745 JFKYMGMQVYDHLT-INIZCTEOSA-N 471.505 2.485 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H]1[C@H]1CCCO1 1508142783 BISPFJYOPLWCAK-QZTJIDSGSA-N 451.618 2.382 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCNS(=O)(=O)Cc1ccon1 1539005339 YWNQIOKDCGPOTP-INIZCTEOSA-N 481.538 2.166 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2Cc2nnc(CC)s2)c1 1539040390 SHGYGLUBFCUAFV-UHFFFAOYSA-N 459.539 2.254 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1CCCn1ccnn1)[C@H]1CCS(=O)(=O)C1 1539211300 HEDVKHKKWSGIMA-INIZCTEOSA-N 477.953 2.046 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CC[S@@](=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1539211750 KQXPVTQUJMFAHD-XHDOVSQSSA-N 484.047 2.167 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1Cc1ccc(C#N)o1)[C@@H]1CCS(=O)(=O)C1 1539219810 NASAIQVGAWXHJE-QGZVFWFLSA-N 453.499 2.148 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1cccc(C(C)(C)O)c1)[C@@H]1CCS(=O)(=O)C1 1539224849 IZVXCHIDHYSKJR-JOCHJYFZSA-N 479.606 2.166 30 10 JEEE C#CCN(c1nnc(CC2CCCC2)n1CCCN1C[C@H](C)O[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1539225279 MJXXHQYQPZLXBE-VWPQPMDRSA-N 477.675 2.137 30 10 JEEE C#CCN(c1nnc(Cn2ccc3ccccc32)n1CC(O)(CC)CC)[C@H]1CCS(=O)(=O)C1 1539229216 AKMHFOJEMINPAA-FQEVSTJZSA-N 469.611 2.459 30 10 JEEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCNC(=O)c1ccc(C)c(F)c1 1539237685 IRNMZUZCIJZLQQ-RUZDIDTESA-N 467.545 2.269 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@H](COC)OC)CC1 1539437520 CTSYCZFIPXTUBQ-CQSZACIVSA-N 454.394 2.186 30 10 JEEE C#CCN1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CCOCC(=C)C)CC1 1539445748 DKNYHJFXQQNHHV-UHFFFAOYSA-N 461.570 2.023 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccncc2Cl)CC1 1539889940 DVXQNWBCRPAPAR-SFHVURJKSA-N 466.995 2.110 30 10 JEEE C=CCC(C)(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1539918812 RNMJNDCKEJBADF-KRWDZBQOSA-N 499.641 2.264 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(C(=O)C(C)C)CC1 1540866565 RRZIJLQIAHYLEE-UHFFFAOYSA-N 460.966 2.214 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC(N3CCCCC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1540876119 IJLVYHRPYDBDHQ-DEOSSOPVSA-N 460.623 2.076 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN(C)C2CCCCC2)C1 1540892097 FMVAUHKAXHFXJQ-ICSRJNTNSA-N 451.637 2.226 30 10 JEEE C=CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCS(=O)(=O)CC1 1540907545 AFVWUEWZHGVTBY-UHFFFAOYSA-N 470.020 2.016 30 10 JEEE C=C(C)Cn1c(SCC(=O)NCCS(=O)(=O)CC(F)(F)F)nnc1-c1ccco1 1585654103 QDCWHRGKRPLLIW-UHFFFAOYSA-N 452.480 2.300 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(OC)c(OCC)c(OC)c1 1587639797 NFWWXOMJBWAETP-NVXWUHKLSA-N 462.572 2.102 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CCN(C(C)C)C(C)C)c1 1587692491 FZEHCLKRITVHNP-NRFANRHFSA-N 465.602 2.404 30 10 JEEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1588034997 OCWOPNPKEKUWCL-HYBUGGRVSA-N 488.610 2.002 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc3cccnc23)n1CCNS(=O)(=O)Cc1ccon1 1588205796 VNLBSIKFNREOQI-UHFFFAOYSA-N 489.561 2.064 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCN1CCSCC1 1588219642 XMZFTUGISZPXIB-UHFFFAOYSA-N 475.622 2.187 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC(C)(C)C(=O)NC)CC1 1588891379 OXLVEJARDZPSQP-QGZVFWFLSA-N 484.576 2.295 30 10 JEEE C#CCSCCn1c(N2CCCN(CC)C(=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1589125431 KNMFWOBUHCKGNP-HDICACEKSA-N 476.647 2.474 30 10 JEEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@](O)(c2cccc(F)c2)C1 1589394657 LSUCCCCDBDUANJ-DNVCBOLYSA-N 450.312 2.375 30 10 JEEE C=C(C)COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1593712299 YFIQIBPTJQSQJW-HXUWFJFHSA-N 470.530 2.274 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1595556330 RRRNYVJGWHWMPO-UHFFFAOYSA-N 480.613 2.409 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCN2C[C@H](C)O[C@H](C)C2)C1 1595674779 TZEXSONSOZIHKM-ZCNNSNEGSA-N 469.590 2.206 30 10 JEEE CN(C[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccoc2)C1)S(C)(=O)=O 1618110266 HGKLUZPWJGJRGC-LJQANCHMSA-N 484.582 2.478 30 10 JEEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](c2ccc(C)cc2)[C@H](C)S(C)(=O)=O)c1 1618211748 IFYZLXCZJAQOIN-OXJNMPFZSA-N 450.582 2.364 30 10 JEEE C=CCN1CC[C@H](N(C)C(=O)[C@H](CC(=O)OCc2ccccc2)NC(=O)OC(C)(C)C)C1=O 1635209354 CIWBYYLXOSWKSX-OALUTQOASA-N 459.543 2.259 30 10 JEEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCO[C@H]3CCN(Cc4ccccc4)C[C@@H]32)cc1 1640753266 HORFDKSYZOUGSC-GOTSBHOMSA-N 455.580 2.266 30 10 JEEE CNS(=O)(=O)C[C@H]1CCCN1CC(=O)Nc1c(C#N)c2c(n1-c1ccccc1)CCCC2 1642215056 AMHFONWAFBZKOJ-GOSISDBHSA-N 455.584 2.180 30 10 JEEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCCN(c2ccncc2)CC1 1654661636 HIWXZTGNXVBLBH-HXUWFJFHSA-N 455.584 2.418 30 10 JEEE N#Cc1ccc(Cl)c(S(=O)(=O)NCC(=O)N2CCN(c3ccc(Cl)cc3)CC2)c1 1661253009 AWTDQLXTAXRCJI-UHFFFAOYSA-N 453.351 2.492 30 10 JEEE C#CCCCn1c(-c2cccnc2)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1689923556 WKANIFJQVSFBRR-UHFFFAOYSA-N 450.568 2.406 30 10 JEEE C#CCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1689933148 BPLMUKFLYFFQFQ-GOSISDBHSA-N 452.950 2.468 30 10 JEEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1689941400 OWDIYHPKYDXLSW-ROUUACIJSA-N 457.579 2.320 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc3cccnc23)n1C[C@H]1CCCN1S(C)(=O)=O 1690040933 UDWFZSGRUYLXEQ-HXUWFJFHSA-N 462.579 2.380 30 10 JEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)CC1 1690132813 XQAIZPYFMDNYOU-FQEVSTJZSA-N 470.622 2.150 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(NC(C)=O)cc1 1690265979 WWSVOHHYCPOONE-OAQYLSRUSA-N 490.630 2.215 30 10 JEEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](CC(C)C)C1 1690313329 QMBAIFHUHAQPOU-RBUKOAKNSA-N 455.625 2.076 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 1690313541 WQEBGBNHLVFHLF-SFHVURJKSA-N 490.586 2.008 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cc(F)cc(OC)c2)CC1 1690411424 LZXLUXPNNDEUIS-FQEVSTJZSA-N 479.578 2.209 30 10 JEEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(=O)c2ccsc2)CC1 1690470591 GGRTXRQXNAWGJX-MRXNPFEDSA-N 466.633 2.269 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccnc(SCC)c1)C1CC1 1690545400 QELVBHCFVDEBPY-SFHVURJKSA-N 478.644 2.321 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1690667259 XCYYBRXUZNIKKV-GOSISDBHSA-N 450.547 2.306 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@H](C)O[C@@H](C)C1 1690719072 HHAUORRBQMYWLT-HOTGVXAUSA-N 450.561 2.177 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CCNc1ncc(Cl)cc1Cl 1692773472 CGSLTSNRVOCVFK-LBPRGKRZSA-N 487.417 2.442 30 10 JEEE C[C@](O)(Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1)c1ccccc1Cl 1692810253 BBRVGYVPHVDRQV-IERDGZPVSA-N 463.991 2.481 30 10 JEEE CCNC(=O)C(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1695907274 AVYXTUUJDMFILA-HXUWFJFHSA-N 479.585 2.126 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC)n2C[C@H](C)CN2CCN(CC)CC2)c1 1705507164 TVYAFNNJBCPPHB-HXUWFJFHSA-N 451.619 2.170 30 10 JEEE C#CCN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CCCS(=O)(=O)C1 1705618310 BGSNFEPCKVAXIQ-OKZBNKHCSA-N 465.620 2.333 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H](c2ccco2)N(C)C)CC1 1705645474 VGDGSUKNYFAMIE-LVXARBLLSA-N 498.628 2.180 30 10 JEEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1705654635 OJQKOJWQAMATJZ-IBGZPJMESA-N 490.611 2.224 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C(=O)COC)CC1 1705698676 XFDMJXLKHTWNTP-BEFAXECRSA-N 493.406 2.312 30 10 JEEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CCOc2ccccc2Cl)CC1 1705721399 YJIPHNXKEQLVBQ-KRWDZBQOSA-N 483.038 2.319 30 10 JEEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H](C(C)C)N1CCOCC1 1705837162 RVAXCUYSUKZMBX-OAQYLSRUSA-N 476.647 2.174 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@@]2(O)CCN(C)C2)C1 1705921419 RTGYQNOUISFWSX-NTKDMRAZSA-N 457.575 2.200 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 1705937328 QKIGGLGBSYFHAC-HXUWFJFHSA-N 487.548 2.394 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1C[C@H]1CCN(S(C)(=O)=O)C1 1722276201 GEQTWJCEQUDEPM-GJZGRUSLSA-N 496.431 2.456 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC(=O)NCc1ccco1 1722290667 AWCBBXGMKXTAOM-KRWDZBQOSA-N 473.537 2.432 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OCC)CCOC3)n2C[C@](C)(O)C(C)C)c1 1722304647 BNLJWCSTPVHPHY-LOSJGSFVSA-N 469.586 2.393 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCCCN2C2CC2)c1 1722305161 DWOVUFRADGQULX-QFIPXVFZSA-N 477.613 2.489 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1Cc1nccc(C(F)F)n1)[C@H]1CCS(=O)(=O)C1 1722364477 HHLHPNVOVPQXOM-KRWDZBQOSA-N 490.511 2.411 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1c(F)cc(F)c(F)c1F)[C@H]1CCS(=O)(=O)C1 1722369157 ZFYYBPBUBFPRKR-OLZOCXBDSA-N 472.464 2.013 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1Cc1ccc(N(C)C)nc1)[C@@H]1CCS(=O)(=O)C1 1722369525 AKVKXMBLZYSKSK-LJQANCHMSA-N 498.584 2.132 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccccc1S(=O)(=O)N(C)C 1722423509 FYMINURLSKQGSM-UHFFFAOYSA-N 489.001 2.378 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@]2(O)CCC[C@H]2C)CC1 1722429823 STAXQZKPTNWQJT-CJFMBICVSA-N 450.587 2.454 30 10 JEEE C=CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCc2nn(C)c(=O)cc2C1)c1ccccc1 1722594230 HVNKHEVSAJLLHK-LJQANCHMSA-N 461.570 2.433 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1722688349 CFADOOKRFXJXGO-KBXCAEBGSA-N 471.493 2.129 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1c1ccc(C)o1 1722726702 ATFUWJJJENYLCH-DLBZAZTESA-N 468.601 2.024 30 10 JEEE CC(C)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCN2S(C)(=O)=O)CCO1 1723220899 BBLIABVWBLYLOM-WOJBJXKFSA-N 458.588 2.102 30 10 JEEE Cc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@H](C)C#N)c(O[C@H]2CCOC2)c1 1724356003 IDPQQHHMTMEMEB-RLLQIKCJSA-N 473.599 2.301 30 10 JEEE COCC(C)(C)CCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1 1730429099 FPOWYFFYSWGJBG-LJQANCHMSA-N 482.651 2.194 30 10 JEEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1740580503 AEPMEUQMXNACMT-HXUWFJFHSA-N 484.988 2.103 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CC1(N2CCSCC2)CCCCC1 1740678132 BGXSVNKSFOTMCO-UHFFFAOYSA-N 474.675 2.352 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2C[C@@H]2CCCOC2)CC1 1740707494 DUHKMGTWMBTEKH-SFHVURJKSA-N 455.534 2.389 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N1CCN(CC(=O)NCC)CC1 1740761771 AILDYCXJWRBCLN-KNQAVFIVSA-N 458.632 2.170 30 10 JEEE C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN([C@H](C)c2nc(CC)no2)CC1 1740777482 DLJZZJWVCYCJDC-MRXNPFEDSA-N 451.535 2.330 30 10 JEEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 1740887370 GUMHUDRUPIQROG-FQEVSTJZSA-N 457.550 2.405 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)C(C)C 1740920673 FGFVWCXXHKHQDH-REWPJTCUSA-N 495.621 2.350 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nc2cccc(Cl)c2n1C 1740941434 KPEXXOITLHCFKB-OAHLLOKOSA-N 479.006 2.407 30 10 JEEE C=CCn1c(N2CCC(C(=O)NCCOC)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740950086 LISBPEATIBXQOC-HDICACEKSA-N 462.595 2.214 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCCN(C(=O)c2ccccc2F)CC1 1740957184 DUQRMDPYKOQTNJ-UHFFFAOYSA-N 463.517 2.134 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CC[C@](O)(c2ccccc2F)C1 1740989726 WDRTTYVCLWYUFO-JOCHJYFZSA-N 457.531 2.178 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccccc2OCC)CC1 1740993036 XOJCJUKRJFSYBG-FQEVSTJZSA-N 489.642 2.498 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2C[C@@H]2CCCCS2(=O)=O)c1 1748692679 LEQWOANSDBEDJY-CTNGQTDRSA-N 485.610 2.196 30 10 JEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCNC(=O)OC(C)(C)C 1748776144 ANCYIKCGQNGFTQ-UHFFFAOYSA-N 476.603 2.180 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1C[C@H]1NC(=O)CC1(C)C)[C@H]1CCS(=O)(=O)C1 1748808868 HHEHNYANKGQXMH-MAUKXSAKSA-N 493.992 2.279 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H]1CCO[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1748808917 IPIWHJYHPYELEO-QRVBRYPASA-N 488.610 2.404 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1ccnc(OC(F)F)c1)[C@@H]1CCS(=O)(=O)C1 1748815316 OOEFDUJJOICALU-SJORKVTESA-N 481.525 2.191 30 10 JEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1Cc1nccs1)[C@@H]1CCS(=O)(=O)C1 1748820930 JKJQWGRQBQUIIT-GOSISDBHSA-N 471.608 2.203 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1c(CC)nn(C)c1OC 1748859008 PHYVHOKWEWPMDT-HDICACEKSA-N 481.601 2.474 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNC(=O)C2CCC2)CC1 1749006180 JZRWKNLKZDGVNJ-UHFFFAOYSA-N 473.581 2.089 30 10 JEEE C#CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CCN(C(C)=O)C[C@H]1C 1749023336 RIYKLSJWWFIDIU-CQSZACIVSA-N 465.421 2.470 30 10 JEEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1749229366 JXHLCPUEBISRJY-QFIPXVFZSA-N 474.650 2.289 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCn1cc(Br)cn1 1749574740 DHENZVLOEZRISQ-HNNXBMFYSA-N 469.409 2.408 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@]2(O)CCO[C@H]2C)C1 1749697771 NIIQWPMHDNWFER-NBQZKYEYSA-N 466.380 2.367 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCN2CCOC[C@H]2C)C1 1749701820 ZCZBERZBBVPUES-QUCCMNQESA-N 457.575 2.464 30 10 JEEE CC(=O)NC[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCN(C(C)=O)C2)C1 1749994336 HVYOITPYHLAACH-GOTSBHOMSA-N 493.612 2.340 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(N2CCC(C#N)CC2)n1CCC(=O)N1CCOCC1 1750492296 DOVQERAOVRDWFY-IBGZPJMESA-N 487.605 2.339 30 10 JEEE CC(C)(C)S(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1750517944 GLSWMKYTYMXAPI-NRFANRHFSA-N 486.642 2.331 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H](OC)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1760192890 PFHZJHAAHJREEI-LRSLUSHPSA-N 488.610 2.017 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(OC)ccc2Br)n1CCC(=O)N1CCOCC1 1760196576 JNWSGTRQVLZCPL-UHFFFAOYSA-N 486.370 2.038 30 10 JEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cccc(OC)c1OC 1760200281 BBRCVHGYONKWMT-UHFFFAOYSA-N 478.578 2.377 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccc(OC)cc3)n2CCc2nnc(C)s2)CC1 1760271383 WLVIOCBOVAXRIQ-UHFFFAOYSA-N 493.637 2.440 30 10 JEEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1760284258 JQUFWRCWIGXCGV-HXUWFJFHSA-N 453.616 2.213 30 10 JEEE C#CCSCCn1c(N(C)CC(=O)N2CCOCC2)nnc1C1(c2ccccc2)CCC1 1760286492 MMLXUUIUSBQWBU-UHFFFAOYSA-N 453.612 2.410 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(=O)NCCCC)C1 1760322911 ZBLLQTXVTLYOTP-ANULTFPQSA-N 493.674 2.294 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 1760357399 JALVZPRYPUBPMP-UYAOXDASSA-N 481.663 2.150 30 10 JEEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](n2cncn2)C1 1760360197 UTGYYNBEWJALNE-KRWDZBQOSA-N 456.576 2.295 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCN(C)C2CCCCC2)CC1 1760389864 VUQNZTHIUZNJAP-HXUWFJFHSA-N 466.652 2.032 30 10 JEEE C=CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1)c1ccccc1 1760417612 GDQMTHXKIZJPPO-WLRLJWMZSA-N 486.642 2.211 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C1CC(C(C)(C)C)C1 1760504857 DPFHMKYZXVXQDT-ABHNRTSZSA-N 455.625 2.247 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](c2nc(C)cs2)C1 1760514764 MWFVDCWGXHBHSY-INIZCTEOSA-N 466.571 2.377 30 10 JEEE C=CCS(=O)(=O)CCn1c(N(C)Cc2ccc(S(C)(=O)=O)cc2)nnc1C(C)(C)C 1760558195 ISFHLKMSQKYREG-UHFFFAOYSA-N 454.618 2.216 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCN(C)C(=O)[C@@H]2C)nnc1C1(c2ccccc2)CCC1 1760558591 UFSGIIXPUGYRNS-SFHVURJKSA-N 457.600 2.016 30 10 JEEE C=CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1760569265 JLBXHIFKPSOCRY-CVEARBPZSA-N 460.629 2.151 30 10 JEEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@](C)(O)c2cccs2)CC1=O 1771135610 CWTUUGCZHQNLPF-HSZRJFAPSA-N 466.567 2.081 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1772660050 PSDGLTGGDVXGNY-NRFANRHFSA-N 495.989 2.239 30 10 JEEE N#Cc1ccc(NC(=O)CNC(=O)c2cc(-c3cccs3)n([C@H]3CCS(=O)(=O)C3)n2)cc1 1868145343 PCUCLEORCOMMEH-INIZCTEOSA-N 469.548 2.211 30 10 JEEE N#Cc1nnn(-c2ccc3c[nH]nc3c2)c1NC(=O)CN1C(=O)c2ccc(Br)cc2C1=O 1870155684 ZSJGYPQOVFOJQX-UHFFFAOYSA-N 491.265 2.012 30 10 JEEE Cc1c([N+](=O)[O-])cc(C(=O)Nc2c(C#N)nnn2-c2ccc(N3CCN(C)CC3)cc2)cc1[N+](=O)[O-] 1870158978 ZCNJLNWIFKPZGS-UHFFFAOYSA-N 491.468 2.268 30 10 JEEE C=CCn1c(C(=O)N2CCN(C(C)=O)CC2)cc2c(N3CCN(c4ccc(F)cc4)CC3)ncnc21 1873561294 JUMMRQBUPFJNCJ-UHFFFAOYSA-N 491.571 2.387 30 10 JEEE COC(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1ccc(OC(=O)c2ccccc2)cc1 1874434281 XCPXFTFJRDYBIB-WYMPLXKRSA-N 467.507 2.281 30 10 JEEE CC(C)N1C(=O)CS[C@H](C(=O)N2CC[C@H](Oc3ccc(N(C)C)nn3)C2)[C@H]1c1ccc(C#N)cc1 1891350496 IKDZHKJBVWEYIC-IEXUWNMDSA-N 494.621 2.488 30 10 JEEE COCc1cn(CC2CN(C(=O)C3CCN(c4oc(-c5cccs5)nc4C#N)CC3)C2)nn1 1891949535 HECHCVVCYICNRN-UHFFFAOYSA-N 467.555 2.388 30 10 JEEE CCSC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2060642086 QXWJHODVCQUKOS-AWEZNQCLSA-N 452.386 2.361 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]1NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2247952426 NJILLJIAALDMMA-OLZOCXBDSA-N 458.411 2.381 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](CO)C2)C1 2255203051 MAFCFKKPYJFGLL-IHSWXRNOSA-N 451.564 2.027 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@@](CO)(NC(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)C1 2267291117 LZKPVLWQXYLJID-JOCHJYFZSA-N 450.341 2.071 30 10 JEEE CC(C)(C)OC(=O)N1CC=C[C@H]1CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2267369172 SWVVAJOXBLNXRO-KRWDZBQOSA-N 464.393 2.440 30 10 JEEE C=C(CS(=O)(=O)N1C[C@@H]2CCO[C@@]2(CNC(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2267469786 ATAQSXCKBNTRLC-KKSFZXQISA-N 472.413 2.119 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccsc2B2OC(C)(C)C(C)(C)O2)[C@H](C(=O)O)C1 2267476242 VRVILNBMCQPLCW-AWEZNQCLSA-N 466.365 2.193 30 10 JEEE CC(C)(C)OC(=O)N1CCNC(=O)CCN(C(=O)C2(B3OC(C)(C)C(C)(C)O3)CC2)CC1 2267502813 UFMWFJWZLUFLNQ-UHFFFAOYSA-N 451.373 2.198 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)Nc1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)n1 2268648762 CXVUTDUXOHUTBB-JSGCOSHPSA-N 467.759 2.343 30 10 JEEE C[C@H](c1nscc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)[C@H](CCO)NC(=O)OC(C)(C)C 2268717933 NHUPZKJLGKPMRV-HIFRSBDPSA-N 469.413 2.237 30 10 JEEE Cn1nc(C(=O)N2CC[C@@H]3[C@@H](CCN3C(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2281979007 AYDUUDYRFJYGCC-DOTOQJQBSA-N 460.384 2.191 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@]23CC[C@@H]2CN(C(=O)OC(C)(C)C)C3)n1 2281992436 NSQYGULKNHQLQN-IQMFZBJNSA-N 460.384 2.332 30 10 JEEE Cc1nc(C(=O)N2CC[C@@H](CO)[C@H](NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2282017643 MSGAUZZVRLRYEA-LSDHHAIUSA-N 481.424 2.098 30 10 JEEE Cn1nc(C(=O)N2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2282053111 SKJHXPZCDQFJFJ-KBPBESRZSA-N 480.802 2.312 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)c(F)c2)CCO1 2282323611 DRPMKIDRUCQBBG-CQSZACIVSA-N 486.371 2.344 30 10 JEEE C[C@@H]1CCN(Cc2ccccc2)CCN1S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282337276 KIXGXIPICDFMNI-GOSISDBHSA-N 474.436 2.004 30 10 JEEE CN(C[C@H]1CCCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)C1)C(=O)OC(C)(C)C 2282534839 XNOSYLKCVAVEDQ-MRXNPFEDSA-N 462.400 2.438 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1 2282535809 UBGWYFAGUDJKEJ-INIZCTEOSA-N 462.400 2.486 30 10 JEEE 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)cnn1C 2282537345 OUUSQERIPZWRDD-QLPKVWCKSA-N 462.400 2.341 30 10 JEEE CCn1cc(C(=O)NC[C@]2(F)C[C@@H](NC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2282537393 PXHXUFXDBYQKHR-XLOAEROZSA-N 466.363 2.327 30 10 JEEE CO[C@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)[C@@](C)(CNC(=O)OC(C)(C)C)C1 2282645572 JWWJOVHCJWRBIM-WAIKUNEKSA-N 463.384 2.458 30 10 JEEE Cc1ccc(C(=O)N[C@]2(CO)CCN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2282664537 DPWKDOYXUNSVMN-XMMPIXPASA-N 460.380 2.396 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCO[C@H]2[C@@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2282668757 JPJXVWZVMXEGPH-WJFTUGDTSA-N 458.364 2.396 30 10 JEEE CC(C)(C)OC(=O)N1CCN(c2ccc([N+](=O)[O-])c(B3OC(C)(C)C(C)(C)O3)c2)[C@H](CO)C1 2282939040 YCMRFDAQUXWOJV-INIZCTEOSA-N 463.340 2.312 30 10 JEEE CC(C)(C)OC(=O)N1CC2(CCN(C(=O)c3nccnc3B3OC(C)(C)C(C)(C)O3)CC2)C1 2283058946 ZXCCWHISVQQNQF-UHFFFAOYSA-N 458.368 2.249 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CCC(N)=O)C(=O)Nc1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)n1 2284053798 TVNIRKXBSLCPTB-ZDUSSCGKSA-N 482.774 2.132 30 10 JEEE CC1(C)OB(c2ccc(C(=O)N3CCC[C@@H](NC(=O)C(F)(F)F)CC3)c(O)c2)OC1(C)C 2286111413 BPUSJQOVGCYENX-CQSZACIVSA-N 456.270 2.365 30 10 JEEE Cc1nc2ccccn2c1C(O)=C1C(=O)C(=O)N(CCCN2CCOCC2)[C@H]1c1ccncc1 2296079385 LEDZNVXNZMOSMT-QFIPXVFZSA-N 461.522 2.182 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2OCC[C@@]2(C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)C1 2296393431 VUFMUWNVSIVSEU-IQMFZBJNSA-N 459.352 2.345 30 10 JEEE COCCCN1C(=O)C(=Cc2c(C)c(C#N)c(=O)n(C)c2N2C[C@H](C)O[C@H](C)C2)SC1=S 2314425897 AJHNPQJNSVYZCG-OKILXGFUSA-N 476.624 2.417 30 10 JEEE CCOc1ccc(C=NNc2nc3c(c(O)nc(=O)n3C)n2C[C@@H](O)COc2cccc(C)c2)cc1 2327753949 RTCFBIBKBWERMT-GOSISDBHSA-N 492.536 2.429 30 10 JEEE CCOc1c(C=Nn2c(SCC(N)=O)nnc2[C@@H]2CC(=O)N(C(C)(C)C)C2)cccc1OC 2327841617 UXDINPRYAQOGHN-OAHLLOKOSA-N 474.587 2.259 30 10 JEEE COc1ccccc1N1CCN(C(=O)c2cccc(/N=C3\N[C@H]4CS(=O)(=O)C[C@H]4S3)c2)CC1 9524601 PIPGRVILDQORJC-GHTZIAJQSA-N 486.619 2.147 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)N3CCc4cc(OC)c(OC)cc4C3)cc2C1=O 19043702 PBHXOBVNVKMILQ-UHFFFAOYSA-N 464.474 2.228 30 10 JEEE COc1ccc(O)c(/C=N/Nc2nnc(SCC(=O)Nc3nc4ccccc4s3)n2N)c1 20527488 ZHQHIEMOABGTAN-ZVBGSRNCSA-N 470.540 2.493 30 10 JEEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2 519880677 BADGFFIDDPTBGT-UHFFFAOYSA-N 461.496 2.249 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)C[S@@](=O)CC(=O)c3ccc(NC(C)=O)cc3)cc21 526895576 DTPMGVGQBPXQNI-YTTGMZPUSA-N 454.504 2.371 30 10 JEEE CN(C)c1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C(=O)NCc1ccc(C#N)cc1F 609256702 DLLRTDNWAMFJLQ-UHFFFAOYSA-N 487.557 2.193 30 10 JEEE CCCCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccc(C)cc1 729668268 FBQFKDOMNBAGTI-UHFFFAOYSA-N 457.559 2.275 30 10 JEEE C#CCN(CC(=O)O)C(=O)[C@@H](Cc1cnc[nH]1)NC(=O)OCC1c2ccccc2-c2ccccc21 757537562 BLDQQOFSQZZNLG-HSZRJFAPSA-N 472.501 2.406 30 10 JEEE Cc1nn(-c2ccccc2)c(N(C)C)c1C=NNc1nnc(SCC(=O)Nc2nccs2)n1N 1084157561 UYJWRECGWWUQAD-UHFFFAOYSA-N 497.614 2.185 30 10 JEEE C#C[C@@H](NC(=O)N1CCN(CC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1)[C@@H]1CCCO1 1234625991 IQCOOWKMWKVBEG-MSOLQXFVSA-N 454.449 2.032 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](CC=C)c1ccccc1 1286294616 DYPVQYXDSOQRPO-SESVDKBCSA-N 457.600 2.429 30 10 JEEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1286338136 GXZSHYKSCRKQPF-UHFFFAOYSA-N 499.015 2.350 30 10 JEEE C#CCCCn1c(N2CCC(Oc3ccnc(C(N)=O)c3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1286359355 CMZVXTCAGBIDHW-VWLOTQADSA-N 482.585 2.274 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@H]2CCCN2CCCO)CC1 1286489462 UCJMDFSXPVTDOL-FQEVSTJZSA-N 485.032 2.411 30 10 JEEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccsc2)CC1 1286537671 HTTMGYZIDRZSDE-CQSZACIVSA-N 465.377 2.162 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CC2(CCOCC2)C1 1286582217 UIVVHYYZQGKBKQ-IBGZPJMESA-N 467.636 2.220 30 10 JEEE C=C(C)COCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1286603365 CCWAPFDPMGLJLV-UHFFFAOYSA-N 491.614 2.169 30 10 JEEE C=CCCOCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@H](CC(N)=O)C1 1286710528 ZOBMLSLIAGYODH-MRXNPFEDSA-N 451.531 2.278 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCN(c2nccc(OCC)n2)CC1 1286784229 BIXRLUPWIPUPLT-UHFFFAOYSA-N 462.558 2.071 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1286784287 CFPSGGGBWHXKIB-UHFFFAOYSA-N 479.629 2.127 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCN(c2ncccc2F)CC1 1286792254 RZSBWJHQBVMPLG-UHFFFAOYSA-N 465.533 2.328 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ccc(S(C)(=O)=O)cc1 1286967397 DMOUXTOIJUPZGY-SFHVURJKSA-N 494.625 2.500 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CCC3)n2CCCN2CCC(O)CC2)c1 1300332764 NJRQFWYKFIZFNZ-UHFFFAOYSA-N 450.587 2.449 30 10 JEEE C#CCCCn1c(-c2ccccc2)nnc1N1C[C@@H]2[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1300398949 DHDCMUFYMGFKEK-HSALFYBXSA-N 485.610 2.485 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H](C)COC)[C@@H]1CCS(=O)(=O)C1 1300484654 UMGFVJQYTFIPOD-DOTOQJQBSA-N 468.526 2.456 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1ccc(OC)c(F)c1)[C@H]1CCS(=O)(=O)C1 1300486956 CJFOVHYAPCIOPM-KRWDZBQOSA-N 455.515 2.163 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1ccc(OC(F)F)cc1)[C@H]1CCS(=O)(=O)C1 1300496133 ONOHPOUPYCLBQS-MSOLQXFVSA-N 480.537 2.449 30 10 JEEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1CCCOC)[C@H]1CCS(=O)(=O)C1 1300504309 LOXKVDPCEPHOPX-KRWDZBQOSA-N 452.964 2.174 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCNC(=O)c1ccco1 1300675329 AFVUWMGECALXKH-SFHVURJKSA-N 486.573 2.459 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)s3)n2CCS(=O)(=O)CC=C)CC1 1300690077 AJRCFQQSADIDCU-UHFFFAOYSA-N 484.445 2.125 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2C[C@H](CCC)OC)CC1 1300719139 POVWMOAPYITGTA-FQEVSTJZSA-N 467.570 2.497 30 10 JEEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1300747184 XQCAJNCASXBUDZ-AEFFLSMTSA-N 455.584 2.291 30 10 JEEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1csc(C)n1 1300763933 UKLHIFRLQWKPOW-QZTJIDSGSA-N 496.684 2.084 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCOc2ccccc2)nnc1N(C)CC(=O)N1CCOCC1 1300889310 BPNDZNQCGBLYET-YKSBVNFPSA-N 469.586 2.176 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCO[C@H]2C(C)C)CC1 1301126530 WCWQEEGGJJQGQX-UFYCRDLUSA-N 467.636 2.075 30 10 JEEE C=CCn1c(COc2ccc(Br)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1301468567 BJVSREKKMDFEGB-UHFFFAOYSA-N 470.393 2.324 30 10 JEEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)Cc1ccc(OC)cc1 1301496835 IBTITWHMIYNMSO-UHFFFAOYSA-N 483.598 2.185 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC(=O)N(C)[C@H](C)C1 1301515769 YZKQCXHCGGUUNM-QGZVFWFLSA-N 454.575 2.124 30 10 JEEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)NC(=O)OC(C)(C)C)CC1 1301761133 YAGUJXOTHZTHHK-QGZVFWFLSA-N 483.573 2.310 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cn(C)c3ccccc23)n1CCNS(=O)(=O)Cc1ccon1 1358883954 FRSTYHFVTTYINS-INIZCTEOSA-N 467.555 2.002 30 10 JEEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCCN1c1cnn(C)c1 1358896990 QKIKYBIGXJYNNW-DLBZAZTESA-N 452.588 2.130 30 10 JEEE C#CCCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1358904852 NCZIKTAYTKGRBZ-AEFFLSMTSA-N 470.961 2.022 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCc1ccc(F)cc1)C1CC1 1358929809 IGFBQRYNRGDUNE-OAQYLSRUSA-N 475.590 2.375 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Cl)n1CCc1noc(CC)n1)[C@@H]1CCS(=O)(=O)C1 1358959737 OXOUVGVSYZMTJP-OAHLLOKOSA-N 474.974 2.413 30 10 JEEE C=C(C)COCCn1c(COc2ccccc2F)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1359136857 XBUYWYBNYPBTPH-NRFANRHFSA-N 486.592 2.332 30 10 JEEE C=CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1359230606 ZIBODOWANPADAU-OAHLLOKOSA-N 453.469 2.201 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC(C(=O)NCc2ccc(F)cc2)CC1 1359300056 SJRFWDZOZKFWTE-FQEVSTJZSA-N 484.576 2.146 30 10 JEEE CC(C)COC(=O)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2COCCO2)CC1 1360042908 CSKXDXFHUZZLPX-JOCHJYFZSA-N 498.584 2.449 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC1CCCCC1 1360704458 HJEFHGAYPCIDIK-KRWDZBQOSA-N 472.619 2.062 30 10 JEEE CCOc1ccc(NC(=O)CN2CCN(C(=O)COc3ccc(C#N)cc3OC)CC2)cc1 1445590955 GRSQMWFUXSXJCN-UHFFFAOYSA-N 452.511 2.127 30 10 JEEE CCOC(=O)c1c(NC(=O)N2CC[C@@H]3CN(C(=O)C(F)(F)F)C[C@H]3C2)c(C#N)cn1CC 1476762387 GLOSOUQRUIOLOC-TZMCWYRMSA-N 455.437 2.431 30 10 JEEE CCN(CC)[C@@H](C)Cn1c(CN2CCCC2=O)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1501805622 CCSZFSGOZGKRTJ-NRFANRHFSA-N 478.645 2.325 30 10 JEEE CCN1C[C@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC(=O)N(CCOC)C2)C[C@@H]1C 1502249186 IAKCSOWJOYSLQF-IRFCIJBXSA-N 465.602 2.231 30 10 JEEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCSCc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1507633554 STJYLBLKEANNIX-WOJBJXKFSA-N 487.651 2.098 30 10 JEEE C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1507713496 LSDUUWHEKMQNHF-SFHVURJKSA-N 481.626 2.388 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(F)(F)C2(OC)CCOCC2)CC1 1507719645 DLWNTPLRALQKRA-UHFFFAOYSA-N 490.511 2.439 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@]2(N(C)C)CCSC2)CC1 1507731743 BZSNFQPZQUUYIV-QHCPKHFHSA-N 458.607 2.189 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CC2CN(C(=O)OC(C)(C)C)C2)CC1 1507734095 QUIGCIALODDPQB-UHFFFAOYSA-N 458.607 2.408 30 10 JEEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1507792074 WGYYISSFOLOMLT-XHSDSOJGSA-N 477.425 2.314 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C(=O)NC)CC1 1507793494 ARECBKNTLUXVCK-RHSMWYFYSA-N 478.395 2.478 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1507916503 ROYYIVHPNVWUAU-IAGOWNOFSA-N 453.609 2.497 30 10 JEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1ccccc1Cl)N(C)C 1507981361 KDBCLBHOOVATQY-RTBURBONSA-N 483.038 2.190 30 10 JEEE C=CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1508042803 WYEILNLNCHNFDS-SIKLNZKXSA-N 465.602 2.322 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 1508085504 GXUNFALOVZKYOQ-DLBZAZTESA-N 479.368 2.416 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC(C)(C)N2CCOCC2)C1 1508117111 SXFUXHMBORQRNW-HYBUGGRVSA-N 463.623 2.211 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(F)(F)CC1 1508140950 KOSCYWUAMOXNKP-UHFFFAOYSA-N 481.573 2.288 30 10 JEEE CC(C)N1CCC(O)(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(CC(N)=O)CC2)CC1 1509547129 DYWBNLJVMLIEEZ-UHFFFAOYSA-N 465.602 2.144 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1Cc1ccc(F)cc1F 1509682271 DIDQQJUHPOCITG-UHFFFAOYSA-N 466.496 2.336 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1CCNC(=O)c1cccs1)[C@@H]1CCS(=O)(=O)C1 1539220558 SWYBPPXDLAIUAD-HXUWFJFHSA-N 497.646 2.296 30 10 JEEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1Cc1cnn(CC)c1)[C@@H]1CCS(=O)(=O)C1 1539231843 YVBNIFYMLZMYTG-OAQYLSRUSA-N 482.610 2.365 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](OC(C)C)c1ccccc1OC 1539266182 MZAHONUPGNALLW-SIKLNZKXSA-N 470.595 2.428 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCS(=O)(=O)C1 1539337370 HYDPNKUIOFRZIQ-OALUTQOASA-N 475.615 2.248 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 1539482891 XXMXUOIFKRNUHK-UXHICEINSA-N 486.617 2.147 30 10 JEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](Nc2ccccc2)C1 1539497009 JHDZFWPZEHCAPU-HKUYNNGSSA-N 462.645 2.336 30 10 JEEE C=CCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1540853776 NQKSPAPRERSUAI-DOTOQJQBSA-N 458.950 2.021 30 10 JEEE C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1540861475 SKGNDRDDBPZIGK-IPMKNSEASA-N 467.636 2.014 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCc2c(ccnc2N(C)C)C1 1540874973 XVRQOJHFDSDIAC-UHFFFAOYSA-N 472.553 2.055 30 10 JEEE CCS(=O)(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ncccc2C)CC1 1548333467 IBWKAGIUPKDBGL-UHFFFAOYSA-N 495.609 2.389 30 10 JEEE CNC(=O)[C@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CCN1C(=O)c1ccc(OC)nc1OC 1548369119 AARVFBLQWJLBPT-QGZVFWFLSA-N 477.443 2.066 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OCC)CCOC3)n2Cc2nccs2)c1 1587689203 DKJRSLLLHGLCSC-HSZRJFAPSA-N 466.567 2.491 30 10 JEEE C#CCN(C)c1nnc(CCc2ccc(OC)cc2)n1C[C@H](N1CCOCC1)C(F)(F)F 1588006154 FQDBFMXSXPHXKN-IBGZPJMESA-N 451.493 2.404 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1csc([C@H](C)OC)n1)[C@@H]1CCS(=O)(=O)C1 1588045910 TVTHMHSFSVAQGV-DOTOQJQBSA-N 472.596 2.179 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCc1cc(C(F)(F)F)ccn1)[C@@H]1CCS(=O)(=O)C1 1588075105 XSDNGKSLQXCDBT-QZTJIDSGSA-N 483.516 2.413 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)c1cccc(F)c1 1588386163 NEMUCKMRCSOOAD-IBGZPJMESA-N 463.579 2.187 30 10 JEEE C#CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1CCO[C@@H](C)C1 1588581251 LXMGRHMSDGZLMK-HKUYNNGSSA-N 474.631 2.448 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCCCN2CCC[C@@H](C)C2)CC1 1588930333 SUJJFUMOVNAQDH-IFMALSPDSA-N 456.635 2.260 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(OC[C@H]2CCCCO2)CC1 1593747521 YBFSTTBISBQRLN-TZIWHRDSSA-N 482.647 2.327 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(=O)Nc2c(C)cccc2C)CC1 1594096490 BTGZCCSJEYUANX-LJQANCHMSA-N 488.614 2.023 30 10 JEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](OCCC)CC1 1594733255 POQVLVXQPUBDNL-RTBURBONSA-N 455.625 2.363 30 10 JEEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(S(C)(=O)=O)CCCC1 1594896268 VBYAXOCFZHTIKW-UHFFFAOYSA-N 481.644 2.175 30 10 JEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(Cl)c1)C1CC1 1595058651 SFHQZCFUGFLUSP-GOSISDBHSA-N 451.980 2.468 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2ccc(OC)c(F)c2)C1 1595722908 OTQKMQIXUMCDRX-ROUUACIJSA-N 464.563 2.352 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](c2cccc(C)c2)C1 1595796983 CYYFLQBOWAJTEO-UXHICEINSA-N 478.640 2.083 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@@H]3CC[C@H](C2)N3C(=O)OC(C)(C)C)s1 1642350332 FEVMBGIZYIGLDU-GASCZTMLSA-N 455.602 2.365 30 10 JEEE CC1(C)C(=O)N(C[C@@](C)(O)C(=O)N2CCN(c3ccc(F)cc3C#N)CC2)c2ccccc21 1643806920 HIJPGATZVCSJBL-RUZDIDTESA-N 450.514 2.421 30 10 JEEE C=C(Cl)C[C@@H](NS(=O)(=O)c1cc(C(N)=O)c(Br)cc1F)C(=O)OCC 1656399905 HNAPESPZJWQXFM-LLVKDONJSA-N 457.705 2.040 30 10 JEEE N#Cc1cccc(CN2CCC(NC(=O)N3CCC(C(N)=O)(N4CCCCC4)CC3)CC2)c1 1686928945 AFGCVSLOEYWXOI-UHFFFAOYSA-N 452.603 2.038 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1ccsc1)N(CC)CC 1689853133 PNZYMFJZQKLFBE-YSIASYRMSA-N 494.687 2.214 30 10 JEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1689913711 UGROEEUUMWKNRN-QGZVFWFLSA-N 456.572 2.221 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1cccc(OC)c1 1689930455 RRWRWWSACKWKPV-NHCUHLMSSA-N 473.599 2.375 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1689982202 JHLKYNLEBOZJQW-SJLPKXTDSA-N 466.510 2.352 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CCCN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1689996735 NJEGHPFUJZWNHH-JOCHJYFZSA-N 496.637 2.231 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@](C)(O)c2ccsc2)CC1 1690114613 AJQCUDDUGWEWAB-HSZRJFAPSA-N 485.635 2.073 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CC2CCN(CCC(C)C)CC2)CC1 1690135431 WOUPQGDSCCGGPD-UHFFFAOYSA-N 485.677 2.140 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Cl)c3)n2CC2(O)CC(OCC)C2)CC1 1690137583 DEWZQGCXGCEALJ-UHFFFAOYSA-N 471.989 2.494 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2Cc2ncn(C)n2)CC1 1690139136 AWVLRQCIAZXQEW-UHFFFAOYSA-N 460.586 2.385 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1690235838 FIGZWNOXNTUCTN-OALUTQOASA-N 473.622 2.125 30 10 JEEE C=C(C)Cn1c(-c2ccccc2OC)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 1690281345 MWQZMVXPDBKKQM-UHFFFAOYSA-N 463.604 2.407 30 10 JEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccccc2CN2CCC[C@H]2CO)CC1 1690364853 YRHAVVNCZOTTIB-UGKGYDQZSA-N 488.658 2.050 30 10 JEEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](OCCOCC)C1 1690644292 BZXIQBISSJWIAI-ZWKOTPCHSA-N 451.568 2.404 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3ccccc3n2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1690719251 IZFXGLMVKVLIQO-DLBZAZTESA-N 491.639 2.352 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@@]1(N(C)C)CCSC1)[C@H]1CCS(=O)(=O)C1 1705562964 NQMQRWKLQCKIQY-UWJYYQICSA-N 495.074 2.058 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1CC1(N2CCCC2)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1705567808 ZZRKODUGWDUKAH-HXUWFJFHSA-N 477.675 2.138 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CC2(O)CCCCCC2)CC1 1705650806 YXPZINPECOHTSX-UHFFFAOYSA-N 450.587 2.315 30 10 JEEE C#CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(C(=O)NCC)CC1 1705662352 WQMSMFRVQCAJCZ-IBGZPJMESA-N 456.572 2.009 30 10 JEEE C=C(Br)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(C(=O)NCC)CC1 1705682490 BNMGDUVCRQCHQL-UHFFFAOYSA-N 477.363 2.476 30 10 JEEE CC(=O)N1CCCN([C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCC(C)(C)O)C[C@@H]2C)CC1 1705982228 CMKDCUXADCEGJW-CVDCTZTESA-N 479.629 2.357 30 10 JEEE CC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCS(=O)(=O)CC2)CCS1 1709327080 AEDISFPGHRETBS-SFHVURJKSA-N 461.613 2.088 30 10 JEEE CN(C)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)(=O)CC1)c1ccsc1 1710991967 AMOYIMOGESXYFQ-LJQANCHMSA-N 456.597 2.416 30 10 JEEE CNC(=O)[C@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cnccc2OC)C1 1711324832 GBRFHMVPQJJMIG-XMMPIXPASA-N 461.526 2.143 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(F)(F)F 1712442558 BMWOUXXIQIQXQC-MRXNPFEDSA-N 457.478 2.267 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CCOC)CCCCC1 1722295135 JDWISTBHTNSRCY-RTBURBONSA-N 467.636 2.056 30 10 JEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccc1OC 1722316232 DYWCXTGCHCSCON-FQEVSTJZSA-N 461.588 2.060 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1C[C@H]1CCCN(C(C)=O)C1)[C@@H]1CCS(=O)(=O)C1 1722358834 GJMAFGLRUDVFCQ-GHTZIAJQSA-N 490.029 2.484 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCn1c(C)nc2ccccc21 1722382945 LBGGTUJFJXVMHG-LJQANCHMSA-N 450.568 2.001 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1c(C)nn(-c2ccccc2)c1C 1722412139 WBZMOULRQABMJE-IBGZPJMESA-N 452.584 2.491 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(F)ccc2Br)n1CC(=O)N(C)CC 1722419835 CYVCTVKFEHOZIS-UHFFFAOYSA-N 452.328 2.411 30 10 JEEE C#CCN(CC)c1nnc(-c2c[nH]c3ccccc23)n1CCS(=O)(=O)N1CCSCC1 1722432952 UUFKPNIKGYNEHW-UHFFFAOYSA-N 458.613 2.265 30 10 JEEE C#CCN1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CC[C@H](OC)C(F)(F)F)CC1 1722437531 OBLYTPRJAYHZFM-IBGZPJMESA-N 492.550 2.175 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Br)cc3)n2Cc2cnn(C)c2)CC1 1722444255 VVIVMVFCJAHTOD-UHFFFAOYSA-N 482.386 2.455 30 10 JEEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC=C(C(C)(C)C)CC1 1722461207 MKWAPELFHAUPLS-GOSISDBHSA-N 467.661 2.160 30 10 JEEE C=C(Br)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1722478110 PLFKSZGVPTZWHC-HXUWFJFHSA-N 476.379 2.135 30 10 JEEE C=C(C)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1722523807 QMPYEIPLNHKOJP-UHFFFAOYSA-N 452.603 2.392 30 10 JEEE CC(C)(Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@H](C#N)C1)N1CCOCC1 1723026909 ADDIUZPOCQBCRT-GOSISDBHSA-N 462.501 2.386 30 10 JEEE CNS(=O)(=O)CCn1c(-c2cc(F)ccc2Br)nnc1N(C)[C@H](C)CC#N 1729737406 DCAZACCDSONJTF-LLVKDONJSA-N 459.345 2.134 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCn1cc(Br)cn1 1740540288 VBEGSCJKIASVFX-AWEZNQCLSA-N 477.388 2.466 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H](C(C)C)N1CCOCC1 1740540308 VHYPRRUNFMMRCK-SIKLNZKXSA-N 488.658 2.010 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(F)cc1Cl 1740548808 CBYHLRRDKHIJOI-KDOFPFPSSA-N 469.970 2.104 30 10 JEEE C#CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC2(CC1)CNC(=O)C2 1740575879 WJEIHOOTUJGGDX-IBGZPJMESA-N 486.617 2.497 30 10 JEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1740582500 OGRJQLWKSPNSDZ-CYFREDJKSA-N 487.626 2.383 30 10 JEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cccc(C(=O)NCCC)c1 1740607136 FQBJCQBZZBBHBL-UHFFFAOYSA-N 479.610 2.496 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1740616345 ZEQNHYQGVDKLBW-PZJWPPBQSA-N 485.610 2.201 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1C[C@]1(O)CCN(C)C1 1740649427 UDAIPUQHPHQDBM-NLFFAJNJSA-N 451.571 2.346 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2CC2CCN(c3ccncc3)CC2)CC1 1740689852 DTKQMESNYFBUPQ-NRFANRHFSA-N 467.618 2.069 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2CC2([S@](C)=O)CCC2)CC1 1740708208 GSDSASNDNDEAET-XIFFEERXSA-N 467.639 2.330 30 10 JEEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1740711953 UGGQNKJPIZOLIU-UHFFFAOYSA-N 484.582 2.295 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(COCCOC)cc1 1740730941 LTGMNZOTIUKHGN-XUZZJYLKSA-N 472.611 2.384 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1740743883 HRAWUEJXJADJQR-INIZCTEOSA-N 494.394 2.485 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2noc3c2COCC3)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1740756063 FJJDFCXJSWNWCY-ROYATCLZSA-N 479.603 2.245 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@]1(O)CCSC1 1740769541 NZNZPZBWHHTABX-OAQYLSRUSA-N 465.645 2.466 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCCN2CCC)C1 1740979237 CCDVJKKURRFMLE-XUVXKRRUSA-N 451.637 2.226 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(C)(C)N2CCC[C@H](C)C2)C1 1740982167 RZWBQNPRYWSBHO-SLFFLAALSA-N 465.664 2.472 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1740992969 QBFDDUADHJOBCQ-UHFFFAOYSA-N 482.541 2.144 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3csc(C)n3)n2CCC(=O)N(C)C)c1 1748694756 NGYKSPJBDHMIGW-UHFFFAOYSA-N 465.583 2.168 30 10 JEEE C#CCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1748702757 CHFORFBUAUNIFK-FQEVSTJZSA-N 452.515 2.484 30 10 JEEE C#CCCCCn1c(N2CCN(C(=O)COC)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1748729856 DBVCNQXBGNJNMD-KDURUIRLSA-N 474.606 2.147 30 10 JEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1Cc1cnn(CCOC)c1)[C@@H]1CCS(=O)(=O)C1 1748808132 INBCMJTVAAMGPJ-HXUWFJFHSA-N 489.001 2.116 30 10 JEEE C#CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@]1(O)CCC[C@H]1C 1748949604 FXBWXQRBUDUDNE-HXOBKFHXSA-N 474.631 2.184 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2CCCN2CCN(c3ccncc3)CC2)CC1 1749004441 IZJDGKTYVILHKM-QFIPXVFZSA-N 492.672 2.365 30 10 JEEE COc1ccccc1O[C@H](C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(C#N)C1 1749074308 DKMQCBDBOJDHLO-HYFFOGBASA-N 476.603 2.494 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1749124885 QUKOFBNYIUPBOY-WOCWXWTJSA-N 461.950 2.335 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccccc2OC)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1749133173 IRFSSSFIZZBOMP-DBYOASNMSA-N 470.570 2.219 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCC(OCC(N)=O)CC1 1749133269 JSNVATNKBLTFFI-HRAATJIYSA-N 460.604 2.086 30 10 JEEE COCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1749605569 AYULIIGJDUHJBH-KNQAVFIVSA-N 461.588 2.008 30 10 JEEE N#C[C@@]1(F)CCN(c2nnc(COc3ccccc3F)n2CC2CCS(=O)(=O)CC2)C1 1750378283 GRUBFTPQIBFCSR-FQEVSTJZSA-N 451.499 2.263 30 10 JEEE C[C@H]1C[C@@H](C)CN(c2nnc(COc3ccc(C#N)cc3)n2CCCn2cc(CO)nn2)C1 1752002854 BSMAGYUIXOVDFT-HDICACEKSA-N 450.547 2.385 30 10 JEEE C#CCN(c1nnc([C@@H](CC)c2ccccc2)n1CCCN1CCOCC1)[C@H]1CCS(=O)(=O)C1 1760181535 XAYIOTQOGVMJBD-GOTSBHOMSA-N 485.654 2.169 30 10 JEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1Cc1cnccc1OC)[C@@H]1CCS(=O)(=O)C1 1760192553 VPVHFRIWNUZENR-OAQYLSRUSA-N 495.605 2.151 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCCN1CCOC1=O 1760200512 LMMWWFZGEPWSFY-UHFFFAOYSA-N 473.537 2.151 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CC2(C(=O)N(C)C)CCCC2)CC1 1760270440 XNDYERDTNBCEPU-UHFFFAOYSA-N 456.635 2.481 30 10 JEEE C#CCSCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@](C)(C(N)=O)C1 1760281686 WBLASSYFOBTSBD-SBUREZEXSA-N 476.647 2.461 30 10 JEEE C#CCSCCn1c(N2C[C@@H]3[C@@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]3C2)nnc1C(C)(C)C 1760286425 LCWDRJBPYHTEJB-IKGGRYGDSA-N 497.687 2.069 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)N(CC)CC)CC1 1760406699 JUZRMWIYFHDZCE-QGZVFWFLSA-N 469.656 2.074 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@@H](OC)C(C)C 1762292647 AFESFHBKAYCNOR-FXAWDEMLSA-N 483.621 2.244 30 10 JEEE COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCN1C(=O)OC(C)(C)C 1769836640 BNYLTPQXVRPBFW-GOSISDBHSA-N 475.594 2.280 30 10 JEEE C=CCN(CC=C)C(=O)[C@H]1CCCN1C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 1862250955 HBCCDPGJIXVXGJ-HXUWFJFHSA-N 482.002 2.166 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCNC(C)=O)[C@H]2c2ccc(O)c([N+](=O)[O-])c2)cc1F 1862643706 TUFRDOFUUTZOSW-IBGZPJMESA-N 473.413 2.163 30 10 JEEE C#CCOc1cn(CCc2ccc(OC)c(OC)c2)c(CN(CCOC)CCOC)cc1=O 1870559677 MOANUHFOJKSECD-UHFFFAOYSA-N 458.555 2.215 30 10 JEEE COc1cc(/C=N/n2c(SCCO)nnc2[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc(OC)c1O 1874208815 PBZMZIXNFHZUFL-YBNTXHARSA-N 497.577 2.484 30 10 JEEE CCN1CCN(CC#CCOC2CCN(C(=O)COc3cccc4c3OC(C)(C)C4)CC2)CC1 1890363398 IDQBVLYCILVUIS-UHFFFAOYSA-N 469.626 2.427 30 10 JEEE O=C(NCC#CCN1CCc2ccccc2C1)[C@H]1CCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 1891933365 MDILPWBEXNLOBE-XMMPIXPASA-N 496.589 2.316 30 10 JEEE CC(C)([C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)S(=O)(=O)CC#CCO 1990653014 IGYWDYVLMFNSBQ-OAQYLSRUSA-N 471.531 2.167 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@H]1CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2255951117 ZLHGJUGNOBHIJS-YOEHRIQHSA-N 452.382 2.177 30 10 JEEE CC(C)(C)OC(=O)NOCCNS(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2255952748 YAKYEPKWVZFYFS-UHFFFAOYSA-N 476.788 2.374 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)sc1CNC(=O)CN(CCO)C(=O)OC(C)(C)C 2256613327 IMFQACCRDMVZJJ-UHFFFAOYSA-N 454.398 2.201 30 10 JEEE C[C@H](NC(=O)[C@@H](O)[C@@H](C)NC(=O)OC(C)(C)C)c1cscc1B1OC(C)(C)C(C)(C)O1 2256613352 ISICLTKLRUMNEN-ZENOOKHLSA-N 454.398 2.499 30 10 JEEE C[C@@H](NC(=O)[C@@H](CO)CNC(=O)OC(C)(C)C)c1cscc1B1OC(C)(C)C(C)(C)O1 2256677177 BBYAIKAMVFPVDB-ZIAGYGMSSA-N 454.398 2.358 30 10 JEEE Cc1cc(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 2267152406 MPYRWKQYTIROON-HOTGVXAUSA-N 466.409 2.456 30 10 JEEE CC1(C)OB(c2scnc2C(=O)NC[C@]2(O)CCCN(Cc3ccccc3)C2)OC1(C)C 2267174683 GWKQINJRYMSAIK-HSZRJFAPSA-N 457.405 2.199 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1NC(=O)c1cc(F)ccc1B1OC(C)(C)C(C)(C)O1 2267405424 ODUVGIZTKKSJLV-DLBZAZTESA-N 450.316 2.147 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](NC(=O)c3sccc3B3OC(C)(C)C(C)(C)O3)CO[C@H]2C1 2267594057 PEEGDDKLIYUFTI-BPUTZDHNSA-N 464.393 2.411 30 10 JEEE CO[C@@H](C)[C@H](CC(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1)NC(=O)OC(C)(C)C 2268649352 IQMNMTGWYRPMSA-KBPBESRZSA-N 469.413 2.377 30 10 JEEE CC(C)(C)OC(=O)N[C@@](C)(C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1)C(C)(C)O 2268654958 GIIFKOISIZTGGE-NRFANRHFSA-N 469.413 2.113 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@H](NC(=O)c2c(F)cccc2B2OC(C)(C)C(C)(C)O2)C1 2281783307 IUXWERLKSQKGIZ-OAHLLOKOSA-N 464.343 2.491 30 10 JEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)CC2(C)C)n1 2281954254 VPTJXHQQMBMNRZ-CQSZACIVSA-N 463.388 2.022 30 10 JEEE Cc1c(C(=O)N[C@H]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281985325 IZZXBLAYMPJPGR-CVEARBPZSA-N 462.400 2.451 30 10 JEEE Cc1c(C(=O)N[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281989800 DZZUKHDTRLOHKZ-LSDHHAIUSA-N 462.400 2.449 30 10 JEEE Cc1c(C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281991694 DOQAVKFVURTCAJ-VQTJNVASSA-N 450.392 2.374 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1C[C@H]2[C@H](C1)C[C@H]2NC(=O)OC(C)(C)C 2282023334 MMAGRCCVQRJJQT-PNBKFKSVSA-N 460.384 2.141 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@]2(CCCN2C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2282031770 XKTBZRHXLHVGNK-HSZRJFAPSA-N 458.368 2.391 30 10 JEEE CC(C)(C)OC(=O)N1CCCC[C@@H]2[C@H](NC(=O)c3ncc(B4OC(C)(C)C(C)(C)O4)cn3)[C@H]21 2282031919 ZDRNGMILTARRIT-IKGGRYGDSA-N 458.368 2.294 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C1 2282039578 XITFAUCHVPUELX-DOTOQJQBSA-N 460.384 2.191 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]21 2282043905 QMAOVGXHURIYLK-SFHLNBCPSA-N 450.392 2.360 30 10 JEEE CCc1nc(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 2282141718 JYMVRIZVAQWFFO-ZIAGYGMSSA-N 481.424 2.105 30 10 JEEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(CCNC(=O)OC(C)(C)C)C1CCCC1 2282185483 HTILBFIHKHVZKO-UHFFFAOYSA-N 463.388 2.024 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@H](NS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282302454 MPWJDXZXRWDCHJ-WBVHZDCISA-N 481.424 2.353 30 10 JEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@H]1CCCN(C(=O)C(F)(F)F)C1 2282313002 FANIWAPGOPGZAP-CYBMUJFWSA-N 496.382 2.435 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)c(F)c2)CCO1 2282478025 XQNHYMSKUKKNAM-MRXNPFEDSA-N 464.343 2.491 30 10 JEEE CO[C@@H]1C[C@H](CNC(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)N(C(=O)OC(C)(C)C)C1 2282514210 ABISKDQANWKXOD-HZPDHXFCSA-N 461.368 2.135 30 10 JEEE CC1(C)OB(c2scnc2C(=O)NC[C@@]23CN(Cc4ccccc4)C[C@@H]2CCO3)OC1(C)C 2282522053 FODIDUFCSRJDHS-MHECFPHRSA-N 469.416 2.463 30 10 JEEE Cc1cc(S(=O)(=O)N2CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C2)sc1B1OC(C)(C)C(C)(C)O1 2282840879 KCUYZXSHFDGURX-YPMHNXCESA-N 496.382 2.433 30 10 JEEE CC(C)(C)OC(=O)N[C@]12C[C@H]1CN(S(=O)(=O)Cc1cccc(B3OC(C)(C)C(C)(C)O3)c1)C2 2282845235 PDSKKBZJVGQVLE-SBUREZEXSA-N 478.420 2.415 30 10 JEEE CN(C[C@]1(O)CCN(Cc2ccccc2)C1)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282857514 JHCNHTSQMIZEMN-HSZRJFAPSA-N 492.472 2.305 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1Cc2cccc(B3OC(C)(C)C(C)(C)O3)c2C1 2283945216 YAAGEXZEHIZMNV-APWZRJJASA-N 458.364 2.198 30 10 JEEE CO[C@H]1C[C@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)c(C)n2)N(C(=O)OC(C)(C)C)C1 2283957586 QKBWLMDVGKNGTH-GOEBONIOSA-N 462.356 2.047 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(CNC(=O)[C@@H](F)C2(O)CN(C(=O)OC(C)(C)C)C2)s1 2284063583 ROCJGMDVFAISIQ-MRXNPFEDSA-N 484.399 2.292 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1NC(=O)[C@H](CN(C)C)NC(=O)OC(C)(C)C 2284068839 IZUDSRLRHDTRNK-KRWDZBQOSA-N 463.384 2.388 30 10 JEEE COc1cccc([C@H]2C(=C(O)c3ccco3)C(=O)C(=O)N2CCCN2CCOCC2)c1OC 2297740698 FWYWRCWFWKSGFW-FQEVSTJZSA-N 456.495 2.441 30 10 JEEE COc1ccc(C=Nn2c(CNC(C)=O)nnc2SCC(=O)Nc2ccccc2F)cc1O 2330718861 YXUBADNIDFOITG-UHFFFAOYSA-N 472.502 2.381 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H](CNC(=O)OC(C)(C)C)C[C@H]2C)n1C 2362335221 INNOPIGIXORWGV-ZBFHGGJFSA-N 462.400 2.403 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC[C@H]1CCCN(C(=O)OC(C)(C)C)C1 2362350183 PCCJKXIPYVLRCG-MRXNPFEDSA-N 462.400 2.486 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@H]2[C@@H](CCN2C(=O)OC(C)(C)C)C1 2362358069 VMNJVFSRVXTZJH-HOTGVXAUSA-N 460.384 2.191 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCCO[C@@H]2[C@@H]1NC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2362572071 WHUGTGIFJNVQCY-XZDPQHSOSA-N 479.408 2.243 30 10 JEEE CC(C)(C)OC(=O)N(CCO)C1CCN(C(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)CC1 2362574107 QMYUJDZVNQQPEN-UHFFFAOYSA-N 481.424 2.276 30 10 JEEE COC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1c1ccc(B2OC(C)(C)C(C)(C)O2)c(OC)n1 2365344781 SEWZFMDGHKWUKK-INIZCTEOSA-N 463.384 2.462 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1C[C@@H]2NS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2366869417 CWFLKOYMWCJNGC-ZVZYQTTQSA-N 479.408 2.057 30 10 JEEE C=CCn1c(Cn2nnc3ccccc32)nnc1SCCC(=O)Nc1ccc(S(N)(=O)=O)cc1 20830924 CGBAIFDOQPZMBF-UHFFFAOYSA-N 498.594 2.025 30 10 JEEE COc1ccc(CNc2nc3c(c(=O)[nH]2)[C@@H](c2ccc4c(c2)OCCO4)[C@@H](C#N)C(=O)N3)cc1 72472366 IPTCJAUCQDXDFB-APWZRJJASA-N 459.462 2.386 30 10 JEEE COc1cc(C=NNc2nc(Nc3ccccc3)nc(N3CCOCC3)n2)ccc1OCC(=O)O 254478076 JWWXNJDGUQUCSJ-UHFFFAOYSA-N 479.497 2.370 30 10 JEEE O=C(O)CCCC(=O)N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(OC(F)(F)F)cc1 254849769 UDOBRHAEFPITPI-STQMWFEESA-N 466.459 2.442 30 10 JEEE CCOCCn1c(=C(C#N)C(=O)Nc2ccc(C)cc2C)sc(=Cc2cnn3ccccc23)c1=O 729669464 PUUAHJCKZRZFAG-UHFFFAOYSA-N 487.585 2.353 30 10 JEEE CCCn1c(=C(C#N)C(=O)N[C@@H](C)c2ccccc2)sc(=Cc2cnn3ccccc23)c1=O 729671846 ZLQJANDXBDIGAR-KRWDZBQOSA-N 457.559 2.348 30 10 JEEE COc1ccc(-n2c(=C(C#N)C(=O)c3ccc(F)cc3)sc(=Cc3cnn4ccccc34)c2=O)cn1 729672611 XPHWFXJTYKXZLA-UHFFFAOYSA-N 497.511 2.475 30 10 JEEE Cn1nccc1[C@@H](NC(=O)C#CCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 757472314 WMUOGVWVRRFSKT-HSZRJFAPSA-N 458.474 2.204 30 10 JEEE C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)OCC(=O)N1CCC[C@@H](C(F)(F)F)C1 919014342 QQNUDIHORWWTPJ-IVZQSRNASA-N 479.455 2.496 30 10 JEEE COC(=O)c1ccc(C=NNc2nnc(SCC(=O)Nc3ccc(F)cc3F)n2N)cc1 1084022959 DQUIVMYPEQXNSV-UHFFFAOYSA-N 461.454 2.234 30 10 JEEE Cc1nn(-c2ccccc2)c(N(C)C)c1C=NNc1nnc(SCC(=O)Nc2ccccn2)n1N 1084120672 PVXARRVODUICSQ-UHFFFAOYSA-N 491.585 2.124 30 10 JEEE CC(=NNc1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)n1N)c1ccc2c(c1)OCO2 1084376506 FTQDNCMQLQRRLA-UHFFFAOYSA-N 470.471 2.196 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(C)nc2)CC1 1286493031 SKQZNFNOXVGZOA-UHFFFAOYSA-N 469.549 2.446 30 10 JEEE C=C(Br)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C(=O)COC)CC1 1286530828 FQAMZYTTXFXEMJ-UHFFFAOYSA-N 488.184 2.239 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCNC(=O)C1 1286554882 IUIDWWYYZBJWSX-BJLQDIEVSA-N 474.606 2.310 30 10 JEEE C=C(C)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(C(=O)OCC)CC1 1286584561 MXQSFZHFGWGCTA-UHFFFAOYSA-N 461.592 2.401 30 10 JEEE C=C(C)COCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@@H](C(N)=O)C1 1286601492 LBIXHPNEFRBCSL-QGZVFWFLSA-N 460.966 2.156 30 10 JEEE C=C(C)COCCn1c(-c2ccc(C)o2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1286603627 VKWIPVGYRQFYNW-WIYYLYMNSA-N 456.591 2.428 30 10 JEEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H]2CCCC[C@@H]2C1 1286609292 ZRCJLOHNGJNRMW-ZCNNSNEGSA-N 467.636 2.220 30 10 JEEE C=CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1286688213 XDYSNUUGZWMOIO-MRXNPFEDSA-N 466.633 2.218 30 10 JEEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1286701300 SSAVLZQLCFEJOY-GOSISDBHSA-N 458.588 2.015 30 10 JEEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 1286713773 FUGQSULMXDXLTP-FQEVSTJZSA-N 472.634 2.468 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc(Cc2csc(C)n2)n1C[C@@]1(O)CCS(=O)(=O)C1 1286744779 OGOFDLSHCILXRX-QFIPXVFZSA-N 473.624 2.376 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1cccs1)N1CCOCC1 1286757074 FFSFHDYUNHONJZ-MOPGFXCFSA-N 477.656 2.494 30 10 JEEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1286785928 UMTXIDDSGGVAFP-KDURUIRLSA-N 465.602 2.284 30 10 JEEE C=CCNC(=O)Cn1c(N2CCN(C)c3ccccc3C2)nnc1[C@]1(OC(C)C)CCOC1 1286793808 MLXSQMNHVLUWLS-DEOSSOPVSA-N 454.575 2.077 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(OCCC)nc2)C1 1286808634 CTYGVWYMVFQZLV-MOPGFXCFSA-N 461.588 2.194 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 1286820783 RSUSLXDQCSOWQL-QZTJIDSGSA-N 483.635 2.219 30 10 JEEE C=CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1286831356 ZJTALKKKSWIXLO-HZPDHXFCSA-N 490.655 2.369 30 10 JEEE CC(C)(C)[S@](=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1287085360 CWLBXILGIBDPKQ-RWBHNFOJSA-N 486.598 2.211 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1Cc1ccccc1COC)[C@@H]1CCS(=O)(=O)C1 1300487388 ISZRQWGCMJLNRX-HXUWFJFHSA-N 453.568 2.105 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CCc1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1300503378 CHZIBOATKZLSCH-IBGZPJMESA-N 487.557 2.470 30 10 JEEE C#CCN(c1nnc(COCC)n1Cc1c(C)nn(Cc2ccccc2)c1C)[C@@H]1CCS(=O)(=O)C1 1300504182 KKJPCLQAJXRCAZ-JOCHJYFZSA-N 496.637 2.351 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(Br)c2)n1CCNS(=O)(=O)CC 1300569459 LVRLNUUPTDRFNE-UHFFFAOYSA-N 494.415 2.118 30 10 JEEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(=O)NC1CCCCC1 1300603518 STWSETKDWMRGBA-UHFFFAOYSA-N 471.631 2.455 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1300682808 KARZGJPNYNOUHS-IXFSTUDKSA-N 459.978 2.367 30 10 JEEE C=C(Cn1c([C@@H](C)OCCOC)nnc1N1CCc2nn(C)c(=O)cc2C1)c1ccccc1 1301004578 XVEQPZXHBJNTFA-GOSISDBHSA-N 450.543 2.372 30 10 JEEE C=C(Cn1c(-c2cnccn2)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1)c1ccccc1 1301007055 AXYKLCVRDBLSRA-HXUWFJFHSA-N 468.583 2.479 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@@H](CN(C)CCC)C1 1301502560 KOERZDRWCZUXEZ-GHTZIAJQSA-N 454.575 2.261 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCCN(c2nccs2)CC1 1301507325 ZKUOMDAJGLJPSC-UHFFFAOYSA-N 455.563 2.483 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(NC(N)=O)cc2)C1 1301565588 IPHIBKBNTSGHKQ-FQEVSTJZSA-N 450.547 2.460 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(Cl)cc2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1301593956 YWMBLELRUQQMFE-RBUKOAKNSA-N 494.017 2.359 30 10 JEEE C=CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](CC(N)=O)C1 1301600567 CVXHFWGTJWSLCX-MRXNPFEDSA-N 463.629 2.360 30 10 JEEE C=CCSCCn1c(-c2cccc(C)n2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1301606340 NOPDALHKLFXHTG-GOSISDBHSA-N 455.588 2.334 30 10 JEEE CCn1cc(Cn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N2CCO[C@H](C#N)C2)cn1 1313844868 HBOJKOLJHLGLIL-LJQANCHMSA-N 470.578 2.386 30 10 JEEE COc1cc2c(cc1Cn1c([C@@H]3CCS(=O)(=O)C3)nnc1N(C)C[C@@H](C)C#N)O[C@H](C)C2 1315359394 FHYZLTACALQUCN-ARFHVFGLSA-N 459.572 2.156 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@]1(N2CCOCC2)CCSC1 1358877522 GHSWUIWQPHYDGF-FDDCHVKYSA-N 489.667 2.014 30 10 JEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCNC(=O)[C@H](C)CCC 1358949683 KHWIZTGHYJHFCU-MSOLQXFVSA-N 462.595 2.208 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1[C@@H]1C[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1358957238 RNTQKCDEAAZJFF-NWANDNLSSA-N 452.378 2.254 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CC(=O)Nc1c(C)cccc1C)[C@@H]1CCS(=O)(=O)C1 1358964999 LTHHOWZMOFJTKT-OAQYLSRUSA-N 492.605 2.146 30 10 JEEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](C)Cc2ccc(OC)c(OC)c2)CC1 1359037937 DQDCOYAMUWMSSM-HXUWFJFHSA-N 480.613 2.052 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 1359057184 UTDXFLDDOSYWPP-INIZCTEOSA-N 483.660 2.040 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1359101381 NOYYTLAOPSXWIP-SIKLNZKXSA-N 474.631 2.105 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1359103635 QUIVUNDWFWHSKU-CYFREDJKSA-N 486.592 2.188 30 10 JEEE C=C(C)COCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC[C@@H](C(=O)NC)C1 1359131158 JPQHYYZBBAQDCW-GOSISDBHSA-N 479.585 2.230 30 10 JEEE C=C(Cl)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1359152234 PUUMQXBFXFDAGP-VFNWGFHPSA-N 482.969 2.370 30 10 JEEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1359218983 BVGJYJTVSUOKKS-UHFFFAOYSA-N 472.615 2.019 30 10 JEEE C=CCNC(=O)Cn1c(Nc2cnn([C@@H]3CC3(F)F)c2)nnc1[C@]1(OC(C)C)CCOC1 1359305816 NSIARRIYIFNSEX-BEFAXECRSA-N 451.478 2.141 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)nnc1C(C)(C)C 1359335516 NIVUEPFMRIXWOD-CALCHBBNSA-N 467.636 2.480 30 10 JEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2ccsc2)CC1 1359343288 PZKATHNYIJOXRS-QGZVFWFLSA-N 481.669 2.123 30 10 JEEE CC(=O)N1CCN(CCn2c(-c3ccc(Br)s3)nnc2N2CC[C@](F)(C#N)C2)CC1 1359400086 ACFPLCKVGNIRRF-IBGZPJMESA-N 496.410 2.375 30 10 JEEE CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC[C@@H](O)C2)CC1 1496305827 CZQDXHGKLDLMGA-IEIRFRATSA-N 479.629 2.405 30 10 JEEE CCCN1CCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccccc2C#N)CC1 1501036393 BZRBPZXWMHNSAT-NRFANRHFSA-N 464.618 2.489 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1CCCCNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1507629519 NDFNNLHVCFSEEN-SFHVURJKSA-N 490.630 2.215 30 10 JEEE C#CCN(c1nnc(C2CCCC2)n1CCCN1C[C@H](C)O[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1507632234 JZIMKTCFJQWNPU-IRFCIJBXSA-N 463.648 2.062 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC1([S@@](C)=O)CC1 1507661965 NEFVGKHXIZIFRE-JGCGQSQUSA-N 456.568 2.345 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(C)nc1 1507700520 RYMBUCDZLKCEHV-KRWDZBQOSA-N 456.547 2.419 30 10 JEEE C=C(C)COCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1507838697 WCDSGVSOTBWXDM-UHFFFAOYSA-N 451.575 2.056 30 10 JEEE C=CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(CCOC(C)C)CC1 1508057914 LUEZGWITLYWEQA-UHFFFAOYSA-N 451.575 2.408 30 10 JEEE CN(C)[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C(N)=O)C1)c1ccsc1 1516989074 BTGUXAOUGXLOQT-YLJYHZDGSA-N 465.583 2.405 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OCCC)c(OC)c2)n1CC1(O)CCS(=O)(=O)CC1 1538991908 GVFGNYBWBKUDDF-KRWDZBQOSA-N 476.599 2.140 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1CCC(=O)NC1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1539224394 GGWVAFHLVMBEJC-HXUWFJFHSA-N 489.667 2.396 30 10 JEEE C#CCN(c1nnc(CC2CCCC2)n1CCNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1539225811 PXPWUNXFOMMVEH-GOSISDBHSA-N 465.620 2.162 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1OCCC1(C)C 1539385317 YEWWJJOFXXIPKX-APWZRJJASA-N 463.579 2.482 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@](C)(O)[C@@H](C)CC)CC1 1539452348 PYOYDSFQYVQZGU-RLSLOFABSA-N 490.649 2.139 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2CCCN2C[C@@H](C)O[C@H](C)C2)CC1 1539461208 BHZDUOCVFKMUFQ-DHIUTWEWSA-N 466.630 2.420 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CC[S@](=O)C(C)(C)C)CC1 1539474011 GZQPLIZYOCAZCP-UMSFTDKQSA-N 485.610 2.187 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@](C)(O)c2cccs2)CC1 1539484672 YONDAPNCHPSJNE-DEOSSOPVSA-N 464.595 2.199 30 10 JEEE C=C(C)Cn1c(N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1539723746 ZPKZOUMCNFEYTQ-PXDATVDWSA-N 468.602 2.243 30 10 JEEE C=C(C)COCCn1c(C2CCC2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1539744266 HBJQOIVCNFWZST-UHFFFAOYSA-N 466.633 2.414 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC(=O)NCC(F)F)CC1 1539889687 ACZJZNUANYWBFT-INIZCTEOSA-N 484.548 2.370 30 10 JEEE C=CCCOCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1540033394 HABLBBYWXWHOQH-LJQANCHMSA-N 479.585 2.089 30 10 JEEE C#Cc1cccc(NC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c2cccc(C(F)(F)F)c2)c1 1540260006 IVQCMABZIYVPSZ-QGZVFWFLSA-N 453.442 2.238 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](c2nc(C)cs2)C1 1540877262 PCJHKGNRSTYPAW-AOIWGVFYSA-N 460.604 2.453 30 10 JEEE CC(C)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCSCC2)[C@@H](C)C1=O 1541566572 BULRMNUUHPBJMW-FQEVSTJZSA-N 497.669 2.471 30 10 JEEE CN(C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOc2ncccc2F)CC1)S(C)(=O)=O 1554124217 CMXBEDDORIPAKI-UHFFFAOYSA-N 499.572 2.290 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)N2CCCN(C(=O)c3ccccc3F)CC2)C1 1564530279 ADGGLSDUNFLKQT-APWZRJJASA-N 459.522 2.442 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@H]1NC(=O)CC1(C)C 1587620415 DLCDDVOAGWIHJL-LPHOPBHVSA-N 461.570 2.438 30 10 JEEE C#CCCCCn1c(Cc2ccccc2OC)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1587773916 ZOCKICVJBPEQFA-UHFFFAOYSA-N 464.614 2.425 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1588871850 SVYJYRZCPOSTMB-HXUWFJFHSA-N 454.550 2.010 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@]2(C)CCCO2)CC1 1588898756 AJPBLTQAFYDFFE-QHCPKHFHSA-N 452.515 2.388 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@H](C)N(C)C)CC1 1588962030 ROWPDCMVYMCYHY-HXUWFJFHSA-N 452.603 2.390 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCO[C@H]1CCCC[C@@H]1C 1589215620 CFTPSPIDMKEHDK-IHFIDZABSA-N 479.647 2.198 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](CC(C)C)NC(=O)OCC 1589215821 DYAKKSWFICVIIR-NPPFBWRTSA-N 465.620 2.333 30 10 JEEE C=C(C)COCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CC(=O)N(C)C[C@H]1C 1593735943 VDSUSRXTRVTBRT-GOSISDBHSA-N 479.585 2.325 30 10 JEEE COc1cc(OC)cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC2(S(C)(=O)=O)CCCC2)c1 1619135398 HHUQCAQCMQOMOP-IBGZPJMESA-N 475.571 2.048 30 10 JEEE COCCN(CCC#N)c1nnc([C@@H]2CCCCO2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1619912607 HRASVFFRNSSMKN-DLBZAZTESA-N 460.501 2.149 30 10 JEEE C[C@@H](CC(=O)N(C)CC(C)(C)NC(=O)OC(C)(C)C)/N=C1/NS(=O)(=O)c2ccccc21 1641379766 GIPIRMQBWKZKFX-AWEZNQCLSA-N 452.577 2.265 30 10 JEEE N#Cc1ccc(S(=O)(=O)N2CCN(C[C@@H]3CN(Cc4ccccc4)CCCO3)CC2)cc1 1642226118 ASTSQSJVYOIJSC-HSZRJFAPSA-N 454.596 2.156 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H](F)COC)[C@H]1CCS(=O)(=O)C1 1689982475 OGZYXVDPIKIEAU-CVEARBPZSA-N 472.489 2.158 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1Cc1cnn(CC)c1 1690013688 YTQVOBWSMSKKPB-UHFFFAOYSA-N 454.538 2.403 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@H](C)N2CCOCC2)CC1 1690137526 BZENKIOMEDHTRF-UXHICEINSA-N 498.603 2.244 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1690249735 AAKZQTJDVQVROT-NZQKXSOJSA-N 489.642 2.135 30 10 JEEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCCN(C(=O)c2ccccc2)CC1 1690496904 BPLSYXJZSQENTJ-UHFFFAOYSA-N 466.586 2.459 30 10 JEEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H](C(C)C)N1CCOCC1 1690526216 YWUSDEVSCLEUHB-NRFANRHFSA-N 454.623 2.431 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CCC[C@@H](CC(N)=O)C1 1690661664 CRBSAJQZKICXSS-AWEZNQCLSA-N 461.364 2.102 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 1690670747 IGKBEEFTRYZADL-HUUCEWRRSA-N 453.469 2.141 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cn(C)c3ccccc23)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1690722626 PTQWWHZHFUCTSR-LJQANCHMSA-N 484.626 2.342 30 10 JEEE CC(C)CN1CCO[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(CC(C)C)C(=O)C2)C1 1692433877 GZUZEFFKLLVGPT-HSZRJFAPSA-N 479.629 2.478 30 10 JEEE CCO[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2Cc2cccnc2OCC(F)F)CCOC1 1696050537 BOQMHVJJMAVRCH-NHCUHLMSSA-N 466.464 2.459 30 10 JEEE COCC(C)(C)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1697720454 HCOLBKRVFODBFR-LJQANCHMSA-N 467.574 2.395 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCC(=O)N3)n2CC(C)(C)C(F)(F)F)n1 1705631639 LAGJYCRBVZFSAZ-MRXNPFEDSA-N 467.496 2.300 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2CC(c3ccccc3)C2)CC1 1705645130 LNEOOENJYHWNJR-PGFLUOATSA-N 498.653 2.048 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1705699969 NNUVVQIZEVFJRN-DFGXFYAUSA-N 456.513 2.283 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1CCCC[C@H]1C 1705716760 UUOYVIRKFHYYMW-WOJBJXKFSA-N 468.668 2.278 30 10 JEEE C=CCn1c(COc2ccc(Br)cc2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1705892161 GEUNDWSRHLENOH-HNNXBMFYSA-N 487.362 2.338 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CC(C)(C)N2C[C@@H](C)O[C@H](C)C2)C1 1705929209 LJSOOKSBCJVFIL-VAMGGRTRSA-N 460.623 2.070 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1705930844 XGWGOBVVYKTVGF-DBVUQKKJSA-N 491.589 2.405 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1705935816 DLRFUYRRCRPOMJ-UYAOXDASSA-N 451.637 2.431 30 10 JEEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1705939159 AJRLAWPEBLIRII-UHFFFAOYSA-N 475.582 2.438 30 10 JEEE CCS(=O)(=O)N(C)CCCn1c(-c2ccccn2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1710885376 BVWDNWCQBFHXGS-JOCHJYFZSA-N 495.609 2.461 30 10 JEEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccc(OC)cc1)N1CCCC1 1722351500 IVPNFMPTPWHJGS-FPOVZHCZSA-N 457.600 2.095 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCOC(F)F)[C@@H]1CCS(=O)(=O)C1 1722359371 LTNOXJQNHKECLM-MRXNPFEDSA-N 469.470 2.109 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1CCc1csc(C(C)C)n1)[C@H]1CCS(=O)(=O)C1 1722360972 KNWORLPVZXAKGM-KRWDZBQOSA-N 471.612 2.184 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@@](C)(O)CCC)[C@@H]1CCS(=O)(=O)C1 1722361748 JICPIIZZERKFGG-UZLBHIALSA-N 451.980 2.171 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC(C)(C)CN(C)C)CC1 1722431215 HNECCOKCQDKCJS-UHFFFAOYSA-N 472.037 2.205 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1722434365 QBEIHILLZNJNLV-KRWDZBQOSA-N 492.443 2.288 30 10 JEEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC2(CCC2)C[C@@H]1CC 1722462234 UPFNTPZEIPUPHB-ZWKOTPCHSA-N 467.661 2.136 30 10 JEEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2ccc(F)c(F)c2)C1 1722528892 LUPRYUQDQYQGQJ-BEFAXECRSA-N 485.557 2.337 30 10 JEEE C=C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCN2CCCS2(=O)=O)CC1 1722558995 HATLEMDDDQHIAL-UHFFFAOYSA-N 458.588 2.339 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1snnc1C 1722655700 PUGINJPIUHRNGW-HNNXBMFYSA-N 472.600 2.161 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CC[C@@H](OC)C1 1722726664 DNNIGFQYKSIECD-QGZVFWFLSA-N 486.598 2.062 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccc(OC2CCCC2)nc1 1723932768 CLXIJKGWMFGTTQ-YCRPNKLZSA-N 477.566 2.095 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1740616146 UJJVSQBXFNXPJR-FQEVSTJZSA-N 478.578 2.103 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@H]1CSCCS1)[C@@H]1CCS(=O)(=O)C1 1740618957 DTCREEJBTROJJX-MJGOQNOKSA-N 478.665 2.429 30 10 JEEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1CC1CCN(CC(F)(F)F)CC1 1740631650 CTLBQYPSNGTMCG-NRFANRHFSA-N 453.509 2.277 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@](C)(O)c1ccco1 1740639546 WNPWDBGUQQWLQW-RUZDIDTESA-N 456.506 2.248 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1([S@](C)=O)CCC1 1740655559 CXRPZUBFFJSULW-XRSWDHFMSA-N 489.642 2.351 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC2(CS(C)(=O)=O)CC2)CC1 1740691864 OPRLPYPIQMXJOY-UHFFFAOYSA-N 478.018 2.187 30 10 JEEE C=CCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1740843136 YYJDCGZAUOYIPR-HXUWFJFHSA-N 467.618 2.367 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(CCOc2ccccc2)CC1 1740957048 ZNTKICRCIFOMQI-UHFFFAOYSA-N 450.543 2.350 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC2CCN(CC)CC2)C1 1740981104 NXQBWHFMSPWQFX-PMACEKPBSA-N 451.637 2.084 30 10 JEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(=O)c2ccsc2)CC1 1748719177 WAEOGXJLTKPMKA-LJQANCHMSA-N 475.640 2.398 30 10 JEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1748734755 JZYQHRCUPGTSOR-SFHVURJKSA-N 455.584 2.257 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H](C)CN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1748811827 LYDPEJJFJBTHBB-WOJBJXKFSA-N 456.616 2.089 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1CCCN(C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1748812139 QSVPTHWGXTWTMP-LJQANCHMSA-N 459.616 2.311 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1748825436 WTSIUVPNDNIPPG-QGZVFWFLSA-N 451.531 2.254 30 10 JEEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1748830392 VLUMKDAAOSWXKS-RPLLCQBOSA-N 477.609 2.293 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC[S@](=O)C(C)(C)C)CC1 1749001693 YWLJYGVXYYCNGU-DTYRLCEBSA-N 492.690 2.351 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2CCCN2C(=O)NC3(CCCC3)C2=O)CC1 1749005305 VDTMUBHOTIROQL-GOSISDBHSA-N 483.617 2.012 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2Cc2cnn(C)c2)CC1 1749010259 JNZAGRFRPSIHSF-UHFFFAOYSA-N 491.596 2.490 30 10 JEEE C#CCSCCn1c(-c2ccc(CC)cc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1749027573 OILNMHMUKPJRKU-UHFFFAOYSA-N 452.584 2.395 30 10 JEEE C#CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@H](CNC(C)=O)C1 1749044480 QYXWQRRVQWRCFW-LJQANCHMSA-N 451.600 2.236 30 10 JEEE C=C(Cl)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@H](CNC(C)=O)C1 1749255612 DPEMQYBTMDDZEC-QGZVFWFLSA-N 481.022 2.300 30 10 JEEE COCCC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1749596543 GMQFSNMQMGBEIX-SFHVURJKSA-N 461.588 2.415 30 10 JEEE C=CCNC(=O)Cn1c(N2C[C@H]3CCCN3C[C@H]2C)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1749681771 ILXICKJISMUEFJ-AKHDSKFASA-N 473.622 2.024 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1749721625 PLTSCYKEMVJZKM-IRXDYDNUSA-N 471.624 2.122 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCCc2ccccc2)nnc1N1CCC2(CC1)COC(=O)N2 1749738793 XUIGDQYSOFHKPU-UHFFFAOYSA-N 473.599 2.133 30 10 JEEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCOC[C@H]2C)CC1 1749898388 FMSAVMJSYNQONP-TZIWHRDSSA-N 454.575 2.170 30 10 JEEE C[C@H](CC(N)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCCN1CCN(c2ccncc2)CC1 1751099483 CGDHKSNYOHASNF-HXUWFJFHSA-N 487.612 2.124 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[C@H]2CCO[C@@H](C)C2)c1 1760128512 KMTUGMGCRNLANI-SESVDKBCSA-N 499.637 2.442 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCN(C)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1760187603 KKGXQSDFFIHHGC-IFMALSPDSA-N 477.675 2.453 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@@H]1CCC[C@H](O)C1)[C@@H]1CCS(=O)(=O)C1 1760192604 WFDIBACTHIWUBG-NJYVYQBISA-N 472.611 2.343 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccc(Cl)c3)n2C[C@]2(O)CCOC2)n1 1760253062 VGMJEFHWAIZWHE-HSZRJFAPSA-N 470.961 2.233 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccc(OCC)cc3)n2CC2(O)CC2)CC1 1760265533 DFTQFVAFAFZWNR-GOSISDBHSA-N 467.570 2.308 30 10 JEEE C#CCSCCn1c(COc2ccc(C)cc2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1760285733 PPGJEYCCEVNWNA-SFHVURJKSA-N 480.598 2.064 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1760320418 VARMABCSXFRPHB-XHDSLABCSA-N 486.569 2.304 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN(C2CCC2)CC1 1760519883 SPJCKLWOCJYZFU-UHFFFAOYSA-N 454.575 2.329 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC(=O)N2CCOCC2)C1 1760538385 CXMYSBLVYZUUHD-GOSISDBHSA-N 463.485 2.187 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](CC)c2ccccc2)nnc1N1CCn2nc(C)nc2C1 1760548573 KLOBUVIMGBAKNN-IBGZPJMESA-N 455.588 2.341 30 10 JEEE C=CCn1c(C(=O)Nc2cc(OC)c(OC)c(OC)c2)cc2c(NCCOCCO)ncnc21 1873631662 CZJCRXAMNFIZKN-UHFFFAOYSA-N 471.514 2.316 30 10 JEEE COC(=O)CSc1nnc([C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)n1/N=C/c1ccc(O)c(O)c1 1874200990 OYPQAIPIPWXIRJ-SWKNLOBNSA-N 497.533 2.366 30 10 JEEE COc1cc(/C=N/n2c(SCCCO)nnc2[C@@H]2CC(=O)N(C(C)(C)C)C2)cc(OC)c1O 1874276882 DBAXJBIMSCTJKO-AQXNZCSYSA-N 477.587 2.472 30 10 JEEE CCOc1ccccc1S(=O)(=O)N1CCC(OCC#CCN2CCN(C(C)C)CC2)CC1 1890591608 YJULTJXUWOBRJL-UHFFFAOYSA-N 463.644 2.284 30 10 JEEE CC(C)N1C(=O)CS[C@H](C(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)[C@@H]1c1ccc(C#N)cc1 1890751711 AQDRDGVMPQSMQY-PMVMPFDFSA-N 484.622 2.049 30 10 JEEE CCN1CCN(CC#CCOC2CCN(C(=O)[C@@H]3CC(F)(F)CN3C(=O)OC(C)(C)C)CC2)CC1 1891248181 PTQDOUHFJOMURR-NRFANRHFSA-N 498.615 2.280 30 10 JEEE N#Cc1nccnc1OCC1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc(Cl)c2)CC1 1892017168 JPVMNCVIVFAAHX-FQEVSTJZSA-N 489.985 2.472 30 10 JEEE CC1(C)OB([C@H]2[C@@H]3CN(S(=O)(=O)CCCCN4C(=O)c5ccccc5C4=O)C[C@@H]32)OC1(C)C 1999981128 KVTCSNJWDKEGGI-BWTSREIZSA-N 474.388 2.417 30 10 JEEE CS[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2086010554 GZXXDSBTJSYJOO-OCCSQVGLSA-N 452.386 2.359 30 10 JEEE CO[C@@H]1[C@H](OC)CN(C(=O)OC(C)(C)C)[C@H]1C(=O)N1C[C@H]2[C@H](B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2205488398 LHPFRGWAYBJNJN-UCIFAOBLSA-N 466.384 2.186 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2OC)C1 2255153923 PKVLUIIYOLGSSP-YOPALGQTSA-N 451.564 2.434 30 10 JEEE C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1cscc1B1OC(C)(C)C(C)(C)O1 2256617110 GXGBSNAPVAJMKK-DVOMOZLQSA-N 454.398 2.499 30 10 JEEE C[C@@H]1CCCN(C(=O)OC(C)(C)C)[C@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2256625827 CBRAVZQQZHHDOF-CHWSQXEVSA-N 452.386 2.233 30 10 JEEE CN(C[C@H]1CN(C(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)CCO1)C(=O)OC(C)(C)C 2267148770 DKFOCJWRYSDZDJ-AWEZNQCLSA-N 467.397 2.150 30 10 JEEE CC(C)(C)OC(=O)N=S1(=O)CC2(CN(C(=O)c3csnc3B3OC(C)(C)C(C)(C)O3)C2)C1 2267155775 YMMPLKDEBTWIAC-UHFFFAOYSA-N 483.421 2.301 30 10 JEEE CC1(C)OB(c2cnsc2C(=O)NC[C@@]2(O)CCCN(Cc3ccccc3)C2)OC1(C)C 2267164275 PLHVDKGRZFUENB-QHCPKHFHSA-N 457.405 2.199 30 10 JEEE CO[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)N(C(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2267165076 ZUXMEYFWDOTZAJ-ZIAGYGMSSA-N 467.397 2.197 30 10 JEEE Cc1ccc(S(=O)(=O)NOC2CN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2267365180 LJEQWFJXMVVQSE-UHFFFAOYSA-N 468.381 2.123 30 10 JEEE CC(C)(C)OC(=O)N1CC2(C[C@H](O)CN2C(=O)c2csc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267561137 LUFOBUJRSXJAQZ-HNNXBMFYSA-N 464.393 2.244 30 10 JEEE Cc1cc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2O)sc1B1OC(C)(C)C(C)(C)O1 2267602796 RSIPGXXCRGQKGU-LSDHHAIUSA-N 466.409 2.456 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1CCN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2267703290 UIKVTZCQQNPTFC-HNNXBMFYSA-N 470.372 2.413 30 10 JEEE CC[C@](NC(=O)OC(C)(C)C)(C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)C(F)(F)F 2268608848 VXIVKLUVKBEIMN-KRWDZBQOSA-N 480.318 2.434 30 10 JEEE CN(Cc1csc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)CN1CC(NC(=O)OC(C)(C)C)C1 2268638717 VIQCBYAKISMYBJ-UHFFFAOYSA-N 465.425 2.215 30 10 JEEE C[C@H]1C[C@H](CNC(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2281809612 WBTMVKSACUUKTK-JKSUJKDBSA-N 462.400 2.342 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1[C@H](CNC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C2 2281927329 YGFZPFSWDCDFBN-ZOBUZTSGSA-N 460.384 2.474 30 10 JEEE CC(C)(C)OC(=O)NC1CC(C[S@@](C)(=O)=NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2281991391 ZMBNMMGJESSXRM-TUICBCIOSA-N 482.412 2.250 30 10 JEEE CCn1cc(C(=O)N2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)nc1B1OC(C)(C)C(C)(C)O1 2282050965 QJTOPQUNBFUNTG-HZPDHXFCSA-N 460.384 2.141 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2F)[C@H](CO)C1 2282397190 KSHFTOLRWZJDRC-INIZCTEOSA-N 464.343 2.179 30 10 JEEE CC1(C)OB(c2ccc(F)cc2C(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)OC1(C)C 2282406741 OIEADMULMTXKRF-VWLOTQADSA-N 454.351 2.492 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2F)[C@H](O)C1 2282409264 JODVCMIQSSFIEJ-ZWKOTPCHSA-N 464.343 2.225 30 10 JEEE CC1(C)OB(c2cnc(C(=O)NC[C@H]3CCCN(C(=O)C(F)(F)F)C3)c(F)c2)OC1(C)C 2282536316 ATIKMKKOKXPJMF-GFCCVEGCSA-N 459.249 2.051 30 10 JEEE Cc1c(C(=O)NC[C@H](NC(=O)OC(C)(C)C)C2CCC2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282542288 IBWOYGRCFYQMDL-INIZCTEOSA-N 462.400 2.451 30 10 JEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CCC[C@@](O)(CNC(=O)OC(C)(C)C)C1 2282569010 LBKLUPRDQCWUOG-HSZRJFAPSA-N 464.368 2.379 30 10 JEEE Cn1cc(C(=O)NCc2cncc(NC(=O)OC(C)(C)C)c2)c(B2OC(C)(C)C(C)(C)O2)n1 2282576435 QOGYSWKYRTXNDK-UHFFFAOYSA-N 457.340 2.391 30 10 JEEE CN(C(=O)OC(C)(C)C)[C@@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)CC12CC2 2282617711 LWGFLYGUJUUQND-MRXNPFEDSA-N 460.384 2.191 30 10 JEEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCC[C@H]1CCCN1C(=O)OC(C)(C)C 2282680044 IUAZIMXRXLARLL-HNNXBMFYSA-N 463.388 2.024 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1NC(=O)[C@@H](CCC(N)=O)NC(=O)OC(C)(C)C 2284041857 SOVSVRFNOCVVBK-MRXNPFEDSA-N 461.368 2.392 30 10 JEEE COc1ccc(OC)c([C@@H]2C(=C(O)c3ccccc3)C(=O)C(=O)N2CCN2CCOCC2)c1 2296091272 IMFSDPSZAMTBOK-JOCHJYFZSA-N 452.507 2.458 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2OCC[C@@]2(C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C1 2296391313 HWUPVVSGGPKQIX-JLCFBVMHSA-N 479.408 2.085 30 10 JEEE O=C1C(=O)N(CCN2CCOCC2)[C@H](c2ccccc2F)C1=C(O)c1ccc2c(c1)OCCO2 2297744258 BLZSCKMYRSAYJS-JOCHJYFZSA-N 468.481 2.351 30 10 JEEE COc1ccc(N2C[C@H](c3nnc(SCC(N)=O)n3N=Cc3cccs3)CC2=O)cc1 2325880650 DIPWXERPKFPWKM-CYBMUJFWSA-N 456.553 2.328 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H](NC(=O)OC(C)(C)C)CC(F)(F)C1 2362327199 UPYCHUYLNYPOQJ-ZDUSSCGKSA-N 470.326 2.094 30 10 JEEE C[C@H]1C[C@@H](CNC(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)CCN1C(=O)OC(C)(C)C 2362357309 YEFQBMSOZAZEOM-HOTGVXAUSA-N 462.400 2.485 30 10 JEEE CC(C)(C)OC(=O)NCCS(=O)(=O)CCOc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C#N 2364683832 AIUABFHCLFLNQF-UHFFFAOYSA-N 480.392 2.176 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCC3CC2(CNC(=O)OC(C)(C)C)C3)n1 2366059825 LGHWRBWYNSQDDJ-UHFFFAOYSA-N 460.384 2.239 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)O[C@H](C)C(=O)NCC(=O)Nc3ccc(F)c(F)c3F)cc2C1=O 9702398 ZBDMYZAXUXJWPW-LLVKDONJSA-N 489.406 2.186 30 10 JEEE NC(=O)CSc1nnc(NC(=O)CSc2n[nH]c(NN=C3CCCCCC3)n2)s1 20837855 KJMYZFLAEMIUPI-UHFFFAOYSA-N 455.595 2.087 30 10 JEEE Cc1nn(CCO)c(C)c1/C=N/Nc1nc(SCC(=O)NCc2ccccc2Cl)n[nH]1 59887679 YQNSGUPGQXTWQF-LSHDLFTRSA-N 462.967 2.118 30 10 JEEE COc1cc(OC)c([C@@H]2c3c(nc(N4CCC[C@@H](C)C4)[nH]c3=O)NC(=O)[C@@H]2C#N)cc1OC 72444975 SLWYUWHTAFTAMF-DFHBCGBQSA-N 453.499 2.256 30 10 JEEE COc1cc2c(cc1OC)CN(C(=O)CCCNS(=O)(=O)c1ccc(F)c(C#N)c1)CC2 518147553 FIGQJSNTKIWERP-UHFFFAOYSA-N 461.515 2.358 30 10 JEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(C)(C)C)cc2)c(=O)n1C[C@@H]1CCCO1 603798521 MZGXHUFFTAUDEH-IBGZPJMESA-N 451.592 2.192 30 10 JEEE CS(=O)(=O)CC[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCc1ccc(C#N)cc1F 609230835 BBEBMNJPMNGZDY-GOSISDBHSA-N 451.907 2.200 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCN(c3ccc(Br)cn3)CC2)ccc1F 915178369 VWGQNVBSONSBQH-UHFFFAOYSA-N 483.363 2.410 30 10 JEEE COc1ccccc1CNC(=O)CCSc1nnc(NN=Cc2cnn(C(C)C)c2)n1N 1084123537 YBRCXIMWEYHWDF-UHFFFAOYSA-N 457.564 2.023 30 10 JEEE COc1ccc(C=NNc2nnc(SCC(=O)NCc3ccc(F)cc3)n2N)cc1OC 1084169216 MUTCFRCTKHAERO-UHFFFAOYSA-N 459.507 2.003 30 10 JEEE C#CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1286338318 LHRPZCQBUZBASK-UHFFFAOYSA-N 472.615 2.469 30 10 JEEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(OC)c(OC)c1OC 1286377966 JWGDJZXAZWRUII-UHFFFAOYSA-N 455.540 2.413 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@H](C)c1nc(C)cs1)[C@@H]1CCS(=O)(=O)C1 1286382613 SRPVETQYLDMGMS-DOTOQJQBSA-N 499.622 2.121 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1cccc(C(C)(C)O)c1)[C@@H]1CCS(=O)(=O)C1 1286393663 RKARUHQJLQMQPN-JOCHJYFZSA-N 479.606 2.166 30 10 JEEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC[C@H]1COCCO1 1286414057 RFAFBGWPKZKLNM-FQEVSTJZSA-N 457.575 2.271 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2C[C@@H](C(C)C)N2CCOCC2)CC1 1286478660 IQKOQJHZIUIPEW-DEOSSOPVSA-N 450.631 2.289 30 10 JEEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCCN2CCOC2=O)CC1 1286484729 NSPNSRSERAETQB-UHFFFAOYSA-N 452.559 2.071 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@](C)(O)c2ccsc2)CC1 1286490632 ZHVIFLCSFDWWQO-QHCPKHFHSA-N 450.568 2.275 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c(-c2ccccc2C)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1)C(C)C 1286750520 BUCFYCLNFYASIP-JTHBVZDNSA-N 491.640 2.099 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1286782740 FAZCSVMDQVKFGS-NYHFZMIOSA-N 461.950 2.294 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCOc1ccc(F)c(Cl)c1 1288825128 AYZVPGOTXREVGJ-SGTLLEGYSA-N 474.921 2.202 30 10 JEEE CCC[C@@H](C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CC(N)=O)CC1 1293849545 CRTCWOKTZDRZQR-QGZVFWFLSA-N 451.575 2.461 30 10 JEEE C#C[C@H]1CCCN(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)C1 1300006949 FZCGLHOHELVFAF-FQEVSTJZSA-N 459.612 2.295 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CC(F)(F)C1(OC)CCOCC1 1300303263 HYTMVVUWNAWTOZ-CQSZACIVSA-N 451.474 2.295 30 10 JEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(=O)c2ccc(C)s2)CC1 1300340339 XOCKTLHOTZXWNB-KRWDZBQOSA-N 492.671 2.461 30 10 JEEE C#CCCCCn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1300344964 NBNKBBQQTLZRRJ-QFIPXVFZSA-N 450.587 2.500 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cn2nc(C)cc2C)n1C[C@]1(O)CCO[C@H]1C 1300649233 MNSRMYXVBZWDBW-YADARESESA-N 452.534 2.459 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCn2c(C)nc3ccccc32)CC1 1300681950 FQBHCJNWCCDOIU-UHFFFAOYSA-N 462.602 2.310 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2Cc2cccc(Br)n2)CC1 1300703148 AOCXMIWHXWJQJI-UHFFFAOYSA-N 452.360 2.225 30 10 JEEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1300755089 KYPSBPHCCZUSIK-UHFFFAOYSA-N 478.626 2.395 30 10 JEEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1300823406 GMXGYTDNEVQQBB-MRXNPFEDSA-N 464.368 2.217 30 10 JEEE C=C(Cl)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1301012713 GTMZCIXLSFALBL-UHFFFAOYSA-N 466.995 2.371 30 10 JEEE C=CC[C@H](Cn1c(N2CCN(S(C)(=O)=O)CC2)nnc1[C@]1(OCC)CCOC1)c1ccccc1 1301169042 ZMURUHOWIIZZKD-QPPBQGQZSA-N 489.642 2.372 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCC(S(C)(=O)=O)CC1 1301490464 UGOGVEBZYBDLIO-UHFFFAOYSA-N 499.593 2.433 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1301588154 XNTIZUZHQNIKSP-HSZRJFAPSA-N 478.590 2.383 30 10 JEEE C=CCSCCn1c(-c2cccc(C)n2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1301609234 FRMJUDMMNCBYAE-UHFFFAOYSA-N 464.599 2.388 30 10 JEEE CCOc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCC(=O)NC2CC2)cc1OC 1314178697 FRVBVISEOWPEHF-SFHVURJKSA-N 454.531 2.140 30 10 JEEE N#Cc1ccc(-c2nnc(N3CCCN(CC(F)(F)F)CC3)n2C[C@H]2CCS(=O)(=O)C2)cc1 1316529175 BLOJXLCPOLORML-QGZVFWFLSA-N 482.532 2.326 30 10 JEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(c2cc(OC)cc(OC)c2)CC1 1358929541 CBTUBXGKYGNBDA-IBGZPJMESA-N 487.626 2.328 30 10 JEEE C#CCN(c1nnc(C2CC2)n1CCN(CC)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1358962375 OUDYITYHJLBGIK-QGZVFWFLSA-N 451.593 2.039 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCOc1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 1358963562 KFEZRENQMLGIAZ-PMACEKPBSA-N 458.584 2.186 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1CCc1csc(C(C)C)n1)[C@H]1CCS(=O)(=O)C1 1358963787 OCXMJOZVOKDMPD-WMZOPIPTSA-N 463.629 2.231 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1CCSCc1ccccc1)[C@H]1CCS(=O)(=O)C1 1358963806 OITVCJHEFWLXIY-PMACEKPBSA-N 460.625 2.342 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCCSCC)[C@@H]1CCS(=O)(=O)C1 1358964565 BGDKTISOABCGHB-QGZVFWFLSA-N 453.659 2.404 30 10 JEEE C#CCN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(CS(C)(=O)=O)cc1 1359001073 LHYVXNLQHFZZFT-QHCPKHFHSA-N 460.600 2.371 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(C(N)=O)nc1 1359015167 KKDCHHZFVRAVIM-UHFFFAOYSA-N 484.495 2.247 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2C[C@H](C(C)C)N2CCOCC2)CC1 1359033562 HBKKXYXOSRPPSD-JOCHJYFZSA-N 452.603 2.066 30 10 JEEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1(c2ccccc2)CC1 1359057380 YITVQLRPHKAZMA-HXUWFJFHSA-N 489.667 2.145 30 10 JEEE C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1359119548 AVHXGXPWCWAYQJ-KRWDZBQOSA-N 454.575 2.328 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H]1CCCOC1 1359189659 QROFBFKGDLYPDT-MSOLQXFVSA-N 455.625 2.076 30 10 JEEE C=CCCCCn1c(N2CCCN(S(C)(=O)=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1359206509 HMWKZTWZGZHFOG-OAQYLSRUSA-N 455.625 2.147 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1NC(=O)CC1(C)C 1359259934 NDZGNMGWQOEAEH-CRAIPNDOSA-N 478.594 2.135 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 1359300261 XNDODRQDEILQQI-WMZOPIPTSA-N 461.588 2.075 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2C[C@@H](C)O[C@@]3(CCOC3)C2)cc1 1359306979 XDSVEKLPAKROPT-KOSHJBKYSA-N 455.559 2.414 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1359328952 TWXDLCDBPVLPBR-SFHVURJKSA-N 475.615 2.248 30 10 JEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC(Nc3cc(OC)cc(OC)c3)CC2)c1 1445589130 XQPYVRGPXBBEPL-UHFFFAOYSA-N 457.552 2.332 30 10 JEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C[C@@H]2CCCc3ccccc32)C(=O)OC)cc1 1447435513 NNROWNBYXXZUTN-SIKLNZKXSA-N 454.548 2.380 30 10 JEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCCCN(CC(=O)OC(C)(C)C)C1=O 1471360677 ZRGDQVVKVOYIOQ-IAGOWNOFSA-N 451.564 2.132 30 10 JEEE C#CCN(C(=O)c1c[nH]nc1I)C1CCN(C(=O)OC(C)(C)C)CC1 1471881568 PDRGIOURAJHVMM-UHFFFAOYSA-N 458.300 2.489 30 10 JEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@@H](CO)c3ccc(F)cc3)nnc12 1472569071 QMQYUCFUPDKGET-KRWDZBQOSA-N 453.499 2.311 30 10 JEEE CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCN(C)c2ccccc2F)CCOC1 1502727717 CCKBZQWVLXRKML-MBSDFSHPSA-N 458.538 2.325 30 10 JEEE COCCN1C[C@H](Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CC[C@@](F)(C#N)C2)CC1=O 1504897642 DDALPKBCFQKQJF-HOYKHHGWSA-N 483.548 2.084 30 10 JEEE C#CCCCn1c(-c2ccccc2C)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1507585431 IOQFNYAPESNNNV-FQEVSTJZSA-N 457.600 2.298 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CCC1(O)CCOCC1)[C@H]1CCS(=O)(=O)C1 1507626911 HLNIKYKEPKDETC-NRFANRHFSA-N 472.611 2.066 30 10 JEEE C#CCN(c1nnc(COCC)n1CC1(c2ccccc2OC)CC1)[C@@H]1CCS(=O)(=O)C1 1507639040 UUKNKYUMJYWZQA-GOSISDBHSA-N 458.584 2.182 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(c2ccc(OC)cc2)CCC1 1507710879 LKLLHUZYCVODFL-IBGZPJMESA-N 472.611 2.397 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2CCc2csc(C)n2)CC1 1507734491 XXEVSGQVZPIIPK-UHFFFAOYSA-N 471.631 2.170 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCCN2C[C@H](C)C[C@@H](C)C2)CC1 1507738807 ZFLGXFHPAGFUIJ-WOJBJXKFSA-N 464.618 2.069 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCCS(C)(=O)=O 1507763920 GVFWSCHPZDMTCI-JOCHJYFZSA-N 462.572 2.398 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCO[C@@H]1CCOC1 1507765112 YCCUIKFNKIIBFG-HYBUGGRVSA-N 487.626 2.383 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C/C=C\c1ccccc1 1507773031 OPRCGDINSOZNSV-WNUCADAPSA-N 455.584 2.317 30 10 JEEE C=C(C)Cn1c([C@@H]2COc3ccccc3O2)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1507830635 NSYFQVCLVRXTNG-XLIONFOSSA-N 462.572 2.397 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CCc1ccc(O)cc1 1507831577 AFLPZVYDSPXDJO-XLIONFOSSA-N 463.604 2.350 30 10 JEEE C=CCCCn1c(-c2cccnc2)nnc1N1C[C@@H]2[C@H](C1)[C@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1507945084 AWFPQXDDRNRSNI-GUDVDZBRSA-N 488.614 2.433 30 10 JEEE C=CCCOCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1507959436 MZDQSEBWQWDESY-GOSISDBHSA-N 462.572 2.322 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccc(C)cc1)N1CCOCC1 1507984010 SPHPBXDARASOJX-RTWAWAEBSA-N 459.616 2.184 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)c1ccccc1Cl 1508022063 WAPGIEUPCWNBIT-DENIHFKCSA-N 496.033 2.351 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cn(C)nc1-c1ccccc1 1508038238 HASJAGYQRGURSV-IBGZPJMESA-N 470.599 2.268 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(Cc1cccc(F)c1)C(C)C 1508145926 QZRWBGJZOZVIEF-GOSISDBHSA-N 484.619 2.335 30 10 JEEE CC(C)(C)n1ncnc1Cn1c(-c2cccc(C#N)c2)nnc1N(CCS(C)(=O)=O)C1CC1 1508621685 DWFZVYOMVVIBAG-UHFFFAOYSA-N 468.587 2.225 30 10 JEEE CC[C@H](C)NC(=O)c1cccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)[C@@H](C)CC#N)c1 1513166418 ARUDRLVODGQRQX-ABSDTBQOSA-N 472.615 2.495 30 10 JEEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)n1 1538916579 GPPBBLKKPHVIOT-NRFANRHFSA-N 453.499 2.013 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@@H]1CCC[C@@H](O)C1)[C@H]1CCS(=O)(=O)C1 1539226274 WQNLUHZRBRNTBO-HLAWJBBLSA-N 472.611 2.055 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCc1cccc(OCC)c1)[C@H]1CCS(=O)(=O)C1 1539230466 MUQUQOXTZYCVCA-QFIPXVFZSA-N 496.637 2.408 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1C[C@@]1(C)CN(C2CC2)C1=O 1539241648 HAUNWTSAHMXOGI-OAQYLSRUSA-N 455.360 2.130 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@]1(C)COCCO1 1539264225 XZGUYEAUVVVAJH-CYFREDJKSA-N 457.575 2.271 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@]1(O)CCOC1 1539323145 DCPOLYIGZOABSM-NTKDMRAZSA-N 457.575 2.007 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)Oc2ccccc2C)CC1 1539462639 KFCUHQQJFLTKQZ-HXUWFJFHSA-N 478.597 2.256 30 10 JEEE C=C(Br)Cn1c(-c2cccnc2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1539585857 BFDBBDMFXYMXBD-BEFAXECRSA-N 474.407 2.238 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](CNC(=O)CCC)C1 1539629392 WVJWKEVNXDQDTK-WEMPKCCASA-N 458.607 2.343 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1539629632 BCUMQKAOLCTXJM-VWPQPMDRSA-N 481.663 2.089 30 10 JEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1 1539744000 BKEKEOUPAFLCOE-LJQANCHMSA-N 472.977 2.438 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CC)C[C@H]1COc2ccccc2O1 1539751520 OSBKPNSLJRRSOP-MOPGFXCFSA-N 476.599 2.439 30 10 JEEE C=C(C)COCCn1c([C@H]2CCCO2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1539760267 ZVVGEZRZIRYUDA-TZIWHRDSSA-N 460.623 2.292 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1540862658 GOVJIHDJNOCRMN-DOTOQJQBSA-N 458.950 2.185 30 10 JEEE CCNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1547741579 ABZQOHJEQOKRFH-HOTGVXAUSA-N 460.604 2.237 30 10 JEEE CCOc1ncccc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](CNC(C)=O)C1 1548008937 DNJGGYSPJYASFG-OAQYLSRUSA-N 461.526 2.000 30 10 JEEE C=C[C@@H](C)ONC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N1CCN(CC)CC1 1562080162 BRAQIXVUZMVLDV-QGZVFWFLSA-N 453.609 2.487 30 10 JEEE C=CCN1CC[C@H](N(C)C(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3OC)cc2)C1=O 1586115188 JCUMUKVDWPBQFU-FQEVSTJZSA-N 457.552 2.379 30 10 JEEE COC[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)c1cccc(OC)c1 1586825917 GFOBXMAXPWZNLM-JOCHJYFZSA-N 457.552 2.471 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCOC[C@H]1CCOC1 1587638976 IHZDAIXVGPSLCO-XUVXKRRUSA-N 477.606 2.488 30 10 JEEE C#CCCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCS(=O)(=O)CC1 1587765462 GXPLQAINLIFTGC-UHFFFAOYSA-N 465.620 2.431 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1csc([C@@H](C)OC)n1)[C@H]1CCS(=O)(=O)C1 1588045913 TVTHMHSFSVAQGV-WBVHZDCISA-N 472.596 2.179 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(C)nc3ccccc23)n1CCNC(=O)c1cc[nH]n1 1588189846 SNHIYGOALDBSMY-UHFFFAOYSA-N 452.522 2.418 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1595516739 IBLDCNKRNCBYRB-UUOWRZLLSA-N 463.542 2.222 30 10 JEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCCN(Cc2ccc(F)cc2)CC1 1595569488 HZIOPKUEZOTWFO-UHFFFAOYSA-N 480.592 2.293 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1595776596 BTKPUXKVDDJOPN-OAHLLOKOSA-N 473.020 2.213 30 10 JEEE C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC(C#N)CC2)n1CC1(O)CCS(=O)(=O)CC1 1611734519 HTDJVBBBYNZFOE-INIZCTEOSA-N 477.562 2.237 30 10 JEEE C=CCn1nc(C)c(-c2cc(C(=O)NCc3ccc(S(=O)(=O)CCOC)cc3)n[nH]2)c1C 1625115274 ZCOVMEJGFCJBDV-UHFFFAOYSA-N 457.556 2.426 30 10 JEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](C(=O)Nc3ccccc3OC)C2)cc1 1639896136 KHGVRSOSVWRZIH-SFHVURJKSA-N 455.536 2.098 30 10 JEEE CC(C)(C)OC(=O)N1CCC(S(=O)(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC1 1662686961 BXJZMOHJDLCYHT-HOCLYGCPSA-N 458.581 2.064 30 10 JEEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1689932208 UMQWTAQINLOZSL-RBUKOAKNSA-N 495.646 2.403 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCc1csc(C)n1)[C@H]1CCS(=O)(=O)C1 1689982057 HCWZGRXTCMLQRK-IBGZPJMESA-N 486.579 2.488 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1(S(C)(=O)=O)CC1 1690085500 BRBYKNMTJXNVMU-INIZCTEOSA-N 451.593 2.387 30 10 JEEE C=CCN(C)c1nnc(COc2ccc(Br)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1690533692 RTAGUNZVBQMTGS-HNNXBMFYSA-N 463.336 2.230 30 10 JEEE C=CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(C(=O)NCCCOCC)CC1 1690640783 CIKKZLOOTNRLGN-UHFFFAOYSA-N 479.585 2.137 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1690726677 IOLQDLPQSBHMKO-UHFFFAOYSA-N 498.609 2.037 30 10 JEEE COC(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C(C)C)N2CCOCC2)C1 1697044469 CZVPICWSVXYZJB-NHCUHLMSSA-N 452.559 2.173 30 10 JEEE CO[C@@H](Cn1c(Cc2cccnc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1)C(C)C 1697174419 DLXRBGBFRXYTSW-NRFANRHFSA-N 463.590 2.175 30 10 JEEE N#CCC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCN(CC(F)(F)F)C2)CC1 1698491468 COEHTVCFABYDQQ-DLBZAZTESA-N 474.553 2.194 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1Cc1ccc(N(CC)CC)nc1)[C@@H]1CCS(=O)(=O)C1 1705565372 UGYYXFCSYKFQNF-HXUWFJFHSA-N 481.626 2.200 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1CC1(N(C)C)CCC1)[C@@H]1CCS(=O)(=O)C1 1705571088 VUXCWGBZYMYISO-OAQYLSRUSA-N 455.628 2.288 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCN(C)C(C)C)CC1 1705643738 QOOQHWGICYKSCC-BGYRXZFFSA-N 459.639 2.144 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2[C@@H]2C[C@H]2C(C)C)CC1 1705650870 AZEGURMMZJYOPM-ZWKOTPCHSA-N 454.600 2.452 30 10 JEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](CN(CC)CC(F)(F)F)C1 1705659050 KDMLLNRJXIDDGL-CVEARBPZSA-N 458.554 2.306 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCCN(c2nccc(OCC)n2)CC1 1705695920 ZXEKTYIQKMHTGW-FPOVZHCZSA-N 498.632 2.303 30 10 JEEE C=CC[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1)c1ccccc1 1705795346 ICWIDHDKXRWHAI-PMACEKPBSA-N 491.600 2.308 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1705795898 UKVXBMZMLSVJNN-PMACEKPBSA-N 476.622 2.179 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 1705902790 JRDJBLWUSKDPOA-RTBURBONSA-N 471.537 2.361 30 10 JEEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN(CC(=O)N(C)C2CCCCC2)CC1 1705904620 TZDPJSZQRRZJPV-UHFFFAOYSA-N 473.666 2.082 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](C)N2CCc3ccccc32)C1 1705917708 YSCMYSVDMGKHQQ-NLWGTHIKSA-N 474.631 2.121 30 10 JEEE CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCCC1(C)C 1709191464 DJVNONKOWBVLRN-YADARESESA-N 452.559 2.385 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cc(Br)c[nH]3)n2C[C@@]2(O)CCOC2)c1 1722306115 YCFIPPDVFGKUOS-QFIPXVFZSA-N 499.369 2.243 30 10 JEEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@H](C(C)C)N1CCOCC1 1722346535 SECSRWIYNJKKEU-LJQANCHMSA-N 457.575 2.397 30 10 JEEE C#CCN(c1nnc([C@H](C)OCCOC)n1Cc1c(F)cccc1Cl)[C@H]1CCS(=O)(=O)C1 1722363851 HKJQRWUZAGWCJU-HOTGVXAUSA-N 484.981 2.470 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(C)(C)CN(C)C 1722394535 VXYXMAOSRGSXGR-UHFFFAOYSA-N 455.632 2.289 30 10 JEEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1722542676 FXYAXFOXDSJWGD-GJZGRUSLSA-N 477.031 2.334 30 10 JEEE C=C(Cl)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(S(=O)(=O)CC)CC1 1722549809 AOKQXHAOUNCHAV-UHFFFAOYSA-N 476.990 2.348 30 10 JEEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1722580096 GWZYNSCFFPOGPX-SFHVURJKSA-N 463.590 2.493 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc([C@@H](C)O)cc2)CC1 1722581595 JQMDIJPKIIKLBQ-UTKZUKDTSA-N 475.615 2.115 30 10 JEEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2ccco2)CC1 1722582864 KZXKYCQTZZGNBI-INIZCTEOSA-N 464.592 2.046 30 10 JEEE C=CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCN(CC(=O)N(C)C)CC1 1722614753 UCWOTEJBASHSEG-UHFFFAOYSA-N 492.628 2.412 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(C[C@H]2CCCO2)CC1 1722695585 ISAUAXGXOMWNIT-GOSISDBHSA-N 474.993 2.210 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 1722726434 FHMSOZZLEYGTAJ-QZTJIDSGSA-N 483.635 2.124 30 10 JEEE C=CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1722738211 CTVAVNNOKFMIQC-CRAIPNDOSA-N 450.586 2.333 30 10 JEEE C=CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1722738536 KPONYHFHBMXGQB-NHCUHLMSSA-N 470.643 2.440 30 10 JEEE CC(C)NC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2CC(F)(F)C2)CC1 1723658112 BASXKEZXLOLSKJ-UHFFFAOYSA-N 487.555 2.421 30 10 JEEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(NC(=O)C2CC2)CC1 1740591026 LQCZZYWCEDFSOJ-FQEVSTJZSA-N 486.617 2.495 30 10 JEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCc1cc(C)cc(C)c1)[C@H]1CCS(=O)(=O)C1 1740615917 NQERCUCAKWPTIW-NRFANRHFSA-N 469.611 2.000 30 10 JEEE C#CCN(c1nnc(Cn2ccc3ccccc32)n1C[C@](C)(O)CCC)[C@H]1CCS(=O)(=O)C1 1740625898 TZOGPTHJSDDKGW-GBXCKJPGSA-N 469.611 2.459 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1cc(OC)ccc1OC(F)F)[C@H]1CCS(=O)(=O)C1 1740626228 KKLBXAFVGVFMHZ-RDJZCZTQSA-N 496.536 2.067 30 10 JEEE C#CCN(c1nnc(COCC)n1Cc1nc2c(s1)C[C@@H](C)CC2)[C@H]1CCS(=O)(=O)C1 1740629080 ZYSCOMPYUJXUIN-HOTGVXAUSA-N 463.629 2.071 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1cccnc1OCCC 1740638047 HOGJQOVPGHLGTQ-UHFFFAOYSA-N 467.533 2.497 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H](C)N(C)C2CC2)CC1 1740703592 YACFWOHFMAFJFF-HNNXBMFYSA-N 488.434 2.484 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1740716880 CNDDTSHGANHVHE-QFIPXVFZSA-N 498.678 2.131 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CCOCC)[C@H](CC)C1 1740742945 GZCDBVCNRKKEIP-CVEARBPZSA-N 455.401 2.075 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc([S@](C)=O)cc1 1740751153 HYOWVZCRWOIUBA-HTFIAEAUSA-N 495.671 2.243 30 10 JEEE C=C(C)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC(OCC(N)=O)CC1 1740781339 CJYJQLIWXYIFSK-KRWDZBQOSA-N 462.595 2.439 30 10 JEEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 1740875908 MJXBBNAGIGXOTB-SFHVURJKSA-N 461.563 2.248 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCCN(CCC)C(=O)C1 1740952839 OXIZGPLMFUCCII-QGZVFWFLSA-N 458.538 2.308 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ccccc2Cl)C1 1740982455 UMMMGTNPOHRZCK-ICSRJNTNSA-N 496.033 2.288 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC(CC#N)CC1 1740990792 ZYLVBTYWQMDZMA-UHFFFAOYSA-N 495.609 2.406 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCO[C@H](c3ccccc3C)C2)nnc1[C@@]1(OCC)CCOC1 1740995609 RCLIGBKUYJDXMM-XUZZJYLKSA-N 490.626 2.417 30 10 JEEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1741000693 DPCKELOULOGLPR-BBWFWOEESA-N 462.620 2.452 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1CC1(C)CCOCC1 1741674031 CPOZIYXECRSZKU-UHFFFAOYSA-N 451.575 2.431 30 10 JEEE CCc1ccc(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@H](C)CC#N)cc1 1744356237 DVLBSVGWOBRJQU-XLIONFOSSA-N 460.604 2.154 30 10 JEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(=O)c2ccsc2)CC1 1748751961 PAFDUOYKJHXFFO-GOSISDBHSA-N 461.613 2.008 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H](C)CN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1748818390 BEJBOWOSJZNRRB-RBBKRZOGSA-N 470.643 2.013 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1Cc1nnc(C)s1)[C@H]1CCS(=O)(=O)C1 1748823803 BRSVLSIOODQMIC-KRWDZBQOSA-N 472.596 2.000 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H](C(C)C)N1CCOCC1 1748828323 BXGOFXWVWYHGAT-FQEVSTJZSA-N 473.419 2.476 30 10 JEEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H](C)N1CCOCC1 1748846643 JIHVUCJFWQBABJ-FQEVSTJZSA-N 470.618 2.186 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(C)n2)n1CC1(NC(=O)OC(C)(C)C)COC1 1748887196 XFLYIFNBZQCFEN-UHFFFAOYSA-N 450.543 2.405 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCCCO1 1748966034 ZHBDCGYQVZETKM-RBUKOAKNSA-N 463.579 2.242 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCc2ccccc2Cl)CC1 1749001082 HMKBLTSIKCPCPI-UHFFFAOYSA-N 456.978 2.278 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C)n2Cc2ccc(I)cc2)CC1 1749004866 OVGAXYWJTXHOAS-UHFFFAOYSA-N 463.323 2.205 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCCNC(C)=O)CC1 1749015591 YFSXFKZHPJKHOL-UHFFFAOYSA-N 456.978 2.014 30 10 JEEE C#CCSCCn1c(-c2ccccc2F)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1749029270 PUTNUAZIKGLWTR-UHFFFAOYSA-N 456.591 2.195 30 10 JEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)OCc2ccccc2)CC1 1749033183 ACHKQRSPZDCNQM-IBGZPJMESA-N 468.583 2.054 30 10 JEEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 1749083320 NRNUEUDKGITQTJ-UHFFFAOYSA-N 479.339 2.369 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N(C)CC(=O)N1CCOCC1 1749125718 XGVILULMJMATTG-JPYJTQIMSA-N 485.585 2.239 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccccc2F)nnc1N1CCN(C(=O)COC)CC1 1749140162 MYPSIYWTAPUTCZ-MBSDFSHPSA-N 473.549 2.272 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCOc2ccc(OC)cc2)CC1 1749342809 PGNLKKLRIMETAP-NRFANRHFSA-N 491.614 2.101 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(CCc3ccccc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1749716768 AWIVISFZTZPJEU-NHCUHLMSSA-N 459.616 2.126 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N(C)CCN1CCOC(C)(C)C1 1749729982 WDUGROBTGCHGOP-UHFFFAOYSA-N 465.595 2.232 30 10 JEEE C=CCSCCn1c(CC(C)C)nnc1N1CCN(c2cc(N3CCOCC3)ncn2)CC1 1749757865 FSHORWRLPKGISQ-UHFFFAOYSA-N 472.663 2.349 30 10 JEEE Cc1c(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@H](C(=O)NCC(F)(F)F)C2)cnn1C 1751365851 HCTWHKVTSXTVBD-QGZVFWFLSA-N 472.475 2.412 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CN(CC(C)C)CCO1 1760111424 MNHGULHWUIKBRF-RTBURBONSA-N 463.586 2.007 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(Cl)c2c(c1)OCCO2 1760117840 URXRASXWRIOTJA-HIFRSBDPSA-N 450.948 2.111 30 10 JEEE C#CCN(c1nnc(C2(c3ccccc3)CCC2)n1CCC(=O)NCCC)[C@H]1CCS(=O)(=O)C1 1760181440 VQIPUEBHCIXPBM-NRFANRHFSA-N 483.638 2.291 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC(=O)N(C)CC)CC1 1760265462 BOQNFYSPQBMQBM-QGZVFWFLSA-N 470.549 2.001 30 10 JEEE C=C(Br)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1760303229 HEOLQCLLXIUBBQ-UHFFFAOYSA-N 472.347 2.449 30 10 JEEE C=C(Br)Cn1c(-c2noc3c2COCC3)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1760306833 LHYFWBXQWGPGFG-LBPRGKRZSA-N 467.324 2.191 30 10 JEEE C=C(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1760342774 UPHBTQIRWBIKJP-UHFFFAOYSA-N 486.573 2.121 30 10 JEEE C=C(Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C)c1ccccc1 1760363075 DFYVHYJNCMOJPT-TYPHKJRUSA-N 466.586 2.310 30 10 JEEE C=C(Cl)Cn1c(-c2ccccn2)nnc1N1C[C@@H]2[C@H](C1)[C@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1760371640 GROCUYBHTZDYMU-DJIMGWMZSA-N 495.005 2.219 30 10 JEEE C=CCN(Cc1cccs1)c1nnc(Cc2cccnc2)n1C[C@]1(O)CCS(=O)(=O)C1 1760486849 BJNSRSWZWPPADF-OAQYLSRUSA-N 459.597 2.068 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCCN(CC(F)(F)F)CC1 1760522004 JXWKCANGGLQAAR-GOSISDBHSA-N 480.491 2.167 30 10 JEEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(Cc1ccco1)C[C@H]1CCCO1 1767843063 CBJSWNABHWQPME-HXUWFJFHSA-N 470.555 2.145 30 10 JEEE COc1ccccc1Cc1nnc(N2CC[C@@](F)(C#N)C2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1768919387 BSFMYOPPRPCYNT-CJFMBICVSA-N 483.592 2.262 30 10 JEEE CN(CCOC(C)(C)C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1768953324 FIXBHXUCPQWJNW-IBGZPJMESA-N 490.630 2.262 30 10 JEEE COCc1cc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(CC#N)CC2)ccc1F 1769341573 FHHROMXBFHFWKU-OAHLLOKOSA-N 464.567 2.352 30 10 JEEE COCC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1770976381 AARVYWZNICVHHF-BWKNWUBXSA-N 468.602 2.153 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)COc2cccnc2NC(=O)N[C@@H](CC)C(=O)O)nc1C 1858791212 CWLZYURJTOEAFT-LBPRGKRZSA-N 477.499 2.192 30 10 JEEE O=C(O)c1ccc([C@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2CCN2CCOCC2)cc1 1862740044 NINYUWGAFDKYBJ-FQEVSTJZSA-N 481.461 2.204 30 10 JEEE C=CCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2C)[C@@H]1c1cc(OC)c(OC)c(OC)c1 1864331387 OVBOILNQWQQBRZ-ZDUSSCGKSA-N 468.432 2.462 30 10 JEEE CN1CCN(C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)C2CCN([C@H](C#N)c3cccs3)CC2)CC1 1868782451 IWHFFKHYFUPKNK-XZOQPEGZSA-N 495.649 2.232 30 10 JEEE C=CCn1c(C(=O)N(CC)CCO)cc2c(N3CCN(Cc4ccc5c(c4)OCO5)CC3)ncnc21 1873563849 WKSULCZFFADOHM-UHFFFAOYSA-N 492.580 2.123 30 10 JEEE C=CCOc1ccccc1OCc1nnc(SCC(N)=O)n1/N=C/c1ccc(O)c([N+](=O)[O-])c1 1874227200 TVOHLBASPBBXIC-FOKLQQMPSA-N 484.494 2.495 30 10 JEEE Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CCC(=O)N1CCC(CN(C)c2ncccc2C#N)CC1 1891251883 CKUSWHIFXFJBQL-QFIPXVFZSA-N 498.653 2.434 30 10 JEEE CO[C@H](c1cncc(B2OC(C)(C)C(C)(C)O2)c1)[C@H](NC(=O)OCc1ccccc1)C(=O)O 1952694935 CCCDMCRNZYDUAK-RBUKOAKNSA-N 456.304 2.448 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CCNC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)C(=O)O 2059767504 MAJFIXQTTUGECD-CABCVRRESA-N 456.540 2.448 30 10 JEEE CC(C)(C)OC(=O)N[C@H](C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)[C@@H](O)C(F)(F)F 2254211547 HHXICQKHOOBECM-YESZJQIVSA-N 456.465 2.039 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)CCO1 2255877574 KLEDAFMCOKWGMC-AWEZNQCLSA-N 452.382 2.413 30 10 JEEE CC(C)(C)OC(=O)NC[C@H](O)CNC(=O)c1cccc(Cl)c1B1OC(C)(C)C(C)(C)O1 2256090880 DROKMHDGUUNDFV-CYBMUJFWSA-N 454.760 2.255 30 10 JEEE C[C@@H]1CC[C@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)N(C(=O)OC(C)(C)C)C1 2256623068 PGHNKKVGWWCBHZ-CHWSQXEVSA-N 452.386 2.233 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(CNC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)O)s1 2256626042 FICITOZCQJKFQF-XJKSGUPXSA-N 454.398 2.246 30 10 JEEE CC(C)(C)OC(=O)NC1(CC(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)CCCC1 2256680415 WIHRYQYNTOJILQ-UHFFFAOYSA-N 452.386 2.425 30 10 JEEE C[C@@H](NC(=O)OC(C)(C)C)c1nc(NC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)n[nH]1 2267146678 MEECXJTVYGZYNB-SNVBAGLBSA-N 464.357 2.398 30 10 JEEE C[C@H]1CC[C@H](CNC(=O)C(F)(F)F)N(C(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C1 2267160298 WDAZVOIAPILDLK-NWDGAFQWSA-N 461.315 2.362 30 10 JEEE Cc1nc(C(=O)N=c2nc(CNC(=O)OC(C)(C)C)[nH]s2)c(B2OC(C)(C)C(C)(C)O2)s1 2267174787 WVPONXBMDSCVLZ-UHFFFAOYSA-N 481.409 2.301 30 10 JEEE COC(=O)[C@H](CCNC(=O)c1ccsc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2267478397 XQKWLCTUNLTZER-AWEZNQCLSA-N 468.381 2.234 30 10 JEEE Cc1sc(C(=O)NCC2(O)CN(C(=O)OC(C)(C)C)C2)c(C)c1B1OC(C)(C)C(C)(C)O1 2267579302 QCFLANSFDHSLEN-UHFFFAOYSA-N 466.409 2.376 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2268646205 SUYRIXJLVIHCFG-YOEHRIQHSA-N 450.316 2.434 30 10 JEEE CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1CNc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2268996015 BGHURBMDZWKKRI-INIZCTEOSA-N 450.364 2.483 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1[C@H]2C[C@@H](CN(c3cc(B4OC(C)(C)C(C)(C)O4)ccn3)C2)[C@H]1CO 2280767808 IJTZCLUHJOPDSZ-YTXYEVPYSA-N 459.396 2.339 30 10 JEEE CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CCCN(C(=O)[C@H]2C[C@H]2B2OC(C)(C)C(C)(C)O2)C1 2281930027 HGTILVNETRRXMZ-IXDOHACOSA-N 465.400 2.348 30 10 JEEE Cc1cc(C(=O)N2CC(O)(CNC(=O)OC(C)(C)C)C2)cc(C)c1B1OC(C)(C)C(C)(C)O1 2281943250 FDRDBVZFKUCXIH-UHFFFAOYSA-N 460.380 2.314 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H](C)C1 2282003857 FPWTVHDZELCTAD-OAHLLOKOSA-N 462.400 2.357 30 10 JEEE Cn1cc(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 2282044988 XIVQZUFTBGIQLU-VYDXJSESSA-N 460.384 2.095 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](CNC(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CO1 2282172042 RGSXNQZEYWTEPW-YJBOKZPZSA-N 461.368 2.040 30 10 JEEE Cn1cc(C(=O)NC[C@@]23CC[C@@H]2CN(Cc2ccccc2)C3)nc1B1OC(C)(C)C(C)(C)O1 2282543757 LSTSIDFOILZUTE-KBMIEXCESA-N 450.392 2.361 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)n1 2282552694 MDVMDYMOYLJHEH-SVFBPWRDSA-N 450.392 2.360 30 10 JEEE CC[C@H]1CN(C(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CC[C@H]1NC(=O)OC(C)(C)C 2282553873 VLZYCKNDWHDCLT-DOTOQJQBSA-N 462.400 2.485 30 10 JEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1CO 2282558915 FXPIOCVUWKJLRL-NVXWUHKLSA-N 464.368 2.235 30 10 JEEE Cc1nn(C)c(C(=O)N2C[C@H](CNC(=O)OC(C)(C)C)C[C@@H]2C)c1B1OC(C)(C)C(C)(C)O1 2282585428 LRZVENHEZCTITK-HOCLYGCPSA-N 462.400 2.403 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@H]2CCN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)sn3)C[C@@H]21 2282604279 QZWMBVOSSBUXJM-JKSUJKDBSA-N 479.408 2.293 30 10 JEEE Cc1c(B2OC(C)(C)C(C)(C)O2)cccc1C(=O)N1C[C@@H](O)C[C@@H]1CNC(=O)OC(C)(C)C 2282682477 PEYGYIWHUCLZHX-SJORKVTESA-N 460.380 2.394 30 10 JEEE CC(C)(C)OC(=O)NCCOCCOCCC(=O)N1C[C@H]2[C@H](B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2283453080 CUWCJWFCOBKSND-DZFIZOCASA-N 468.400 2.485 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1NC(=O)[C@@H](CCC(N)=O)NC(=O)OC(C)(C)C 2284043301 YFESNJOQUJHWJO-QGZVFWFLSA-N 461.368 2.392 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H](COCc2ccccc2)CC(=O)O)n1 2284469867 PWRXWOIELDQCTI-SFHVURJKSA-N 454.332 2.479 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N1C[C@@H](NC(=O)C(F)(F)F)C[C@@H](C)C1 2285209069 REBADSRVMIGWJG-DOMZBBRYSA-N 455.286 2.218 30 10 JEEE CC(C)(C)OC(=O)N1CC(O)(C(F)(F)CNC(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2288536554 SBKUVKPNTQPWLA-UHFFFAOYSA-N 488.362 2.394 30 10 JEEE C=C1C(=O)O[C@@H]2C=C(C)[C@@H](OC(C)=O)CC=C(COC(C)=O)C[C@@H](OC(=O)C(C)=CCO)[C@@H]12 2294963483 HPWMABTYJYZFLK-CBPXPLCBSA-N 462.495 2.096 30 10 JEEE Cn1cc(C(=O)NC[C@H]2C[C@@H]3[C@H]2CCN3C(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2359278146 YXDAGUDYQNQWGW-HLLBOEOZSA-N 460.384 2.095 30 10 JEEE Cn1cc(C(=O)N[C@H]2C[C@@H]3C[C@@H](NC(=O)OC(C)(C)C)[C@@H]3C2)c(B2OC(C)(C)C(C)(C)O2)n1 2359278216 CWXVKONFZVAYES-JYYAWHABSA-N 460.384 2.141 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1C[C@@H]2[C@@H](NC(=O)OC(C)(C)C)C[C@H]2C1 2362351039 ZUVRNPDPIQFHMG-WCVJEAGWSA-N 460.384 2.141 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@]12CC[C@@H](C1)N(C(=O)OC(C)(C)C)C2 2363697166 JHXMPJIMRDAUKX-NPMXOYFQSA-N 460.384 2.239 30 10 JEEE COc1ccc(NC(=O)[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2365287005 SKGDFIAGMFSITD-QHCPKHFHSA-N 462.352 2.305 30 10 JEEE CCCSc1nnc(NC(=O)CSc2nnc(N/N=C/c3cccc(O)c3)n2N)s1 20914799 ZMJXWSDOVBMMCT-QGMBQPNBSA-N 465.590 2.228 30 10 JEEE CC(C)CCOc1ccc([C@H]2c3c(nc(N4CCC(C(N)=O)CC4)[nH]c3=O)NC(=O)[C@@H]2C#N)cc1 72443926 WXTHHSDCDDRUSR-RTBURBONSA-N 478.553 2.120 30 10 JEEE C#CCOC[C@H](O)CN(CCN1CCOCC1)Cc1c(-c2ccccc2)noc1N(C)C(C)C 104999149 NDKBYPQXSYIFDH-HSZRJFAPSA-N 470.614 2.331 30 10 JEEE C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H]1COc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 204869781 VCGONEKUAJLLDH-SJLPKXTDSA-N 490.410 2.449 30 10 JEEE C[C@@]12CCC(=O)C=C1CC[C@H]1[C@H]2C(=O)C[C@@]2(C)[C@@H]1CC[C@@]2(O)C(=O)COC(=O)CCC(=O)O 503938973 WVSVAJGDZIWYBX-CEBYHONUSA-N 460.523 2.406 30 10 JEEE C=CCN(CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)Cc1cccc([N+](=O)[O-])c1 519664859 TTYKUJZHQSZLOZ-UHFFFAOYSA-N 474.539 2.242 30 10 JEEE CC(/C=C/c1ccccc1)=N\Nc1nc2c(c(=O)n(C)c(=O)n2C)n1C[C@@H](O)COc1ccccc1 606671911 GBYCJFDWFWSIPD-KSPSDXSTSA-N 488.548 2.375 30 10 JEEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CC[C@@H](C(F)(F)F)C4(CCOCC4)C3)CC2)o1 1171006458 HFSIJIMJOLOKNA-QGZVFWFLSA-N 455.481 2.184 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CC(F)(F)CO1 1286297942 ZEIXTBVVHQQWII-JYJNAYRXSA-N 455.506 2.469 30 10 JEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cccc(OCCN(C)C)c1 1286370948 WIENGGHLHKIZIN-UHFFFAOYSA-N 481.626 2.296 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1286404207 QTYVJZMBHMVFSM-DENIHFKCSA-N 497.621 2.239 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)N2CCCC2)n1CCc1noc(CC)n1 1286453309 YYZCUXFMOUIOJT-UHFFFAOYSA-N 451.506 2.481 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CC[S@@](=O)C(C)(C)C)CC1 1286476479 XYUUPIGGQPWNNJ-JGCGQSQUSA-N 457.600 2.019 30 10 JEEE C=C(Br)Cn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1286544094 DFZYNWKXWHIHNT-HXUWFJFHSA-N 458.364 2.388 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1286587411 IXSMMRHLVAHDDF-IBGZPJMESA-N 481.644 2.175 30 10 JEEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2cccc(F)c2)CC1 1286619457 AUOBZUDIBLXKJZ-HNNXBMFYSA-N 456.975 2.102 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCN(C)C(=O)OC(C)(C)C)CC1 1286645713 HACYYOXTQVANPL-SFHVURJKSA-N 498.650 2.024 30 10 JEEE C=CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1286705094 PUYONYDSLZVGAB-SNJCGAMXSA-N 474.650 2.347 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1C(F)(F)C12CCC2 1286758422 NAOZLOQNFICHDP-JKSUJKDBSA-N 457.547 2.225 30 10 JEEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 1286777038 WAGHKNFSDVXFEI-LJQANCHMSA-N 452.584 2.311 30 10 JEEE CC(C)CCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(N2CCOCC2)nc1 1287604973 AEQIDDSGAFLEHG-HXUWFJFHSA-N 466.590 2.275 30 10 JEEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1300421802 RTTXZCPRKWOAJU-UHFFFAOYSA-N 485.589 2.203 30 10 JEEE C#CCN(c1nnc(C(C)C)n1CCN(CC)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1300482482 FVTAYKFMOKPWPZ-KRWDZBQOSA-N 453.609 2.285 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1CC(C)(C)CCOC)[C@@H]1CCS(=O)(=O)C1 1300489276 LGXHUYOVIYABNH-GOSISDBHSA-N 474.583 2.363 30 10 JEEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1Cc1cccc(CN2CCO[C@H](C)C2)c1 1300635221 HNKNJVPBYQEZNN-HXUWFJFHSA-N 450.587 2.129 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(N(C)C)nc1 1300672096 VTQXDDBHWDSTIM-FQEVSTJZSA-N 499.616 2.182 30 10 JEEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCOC[C@@H](C2CCC2)C1 1300830602 HIGVSRZGUFVSEL-HIFRSBDPSA-N 462.414 2.050 30 10 JEEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H]2CCCCCC[C@H]21 1300989709 FRYXERABIVCYEI-AQNXPRMDSA-N 467.636 2.363 30 10 JEEE C=CCCOCCn1c(-c2cccnc2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1301248704 KBFQGTVIGWQNMK-OFNKIYASSA-N 467.618 2.312 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCN(CCN2[C@H](C)CC[C@H]2C)CC1 1301491865 PIYOERMNSYMASB-NHCUHLMSSA-N 481.645 2.251 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN2C(=O)CC[C@@H]2C1 1301568268 FOSKRYYAOQSNAH-VQTJNVASSA-N 487.626 2.447 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCC(C(N)=O)CC2)nnc1C1(c2ccccc2)CCC1 1301596080 HDYONTAVLIKYMG-UHFFFAOYSA-N 457.600 2.051 30 10 JEEE C=CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@@H](CC(N)=O)C1 1301611474 CDCFPWISRUMGAX-SFHVURJKSA-N 470.647 2.463 30 10 JEEE Cc1nccnc1N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)NC(C)C)CC1 1304710908 AANDJTCMYURIRQ-UHFFFAOYSA-N 459.558 2.157 30 10 JEEE COc1cc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCNC(=O)c2ccco2)cc(OC)c1OC 1315298246 ASKWZCQCEVQGBN-HSZRJFAPSA-N 484.488 2.436 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@H](CC)N2CCCC2)c1 1358901082 ZIHGYKKFDGNJRC-NRFANRHFSA-N 465.602 2.347 30 10 JEEE C#CCCCCn1c(N2CC[C@@H](C(=O)NCC(F)(F)F)C2)nnc1[C@@]1(OCC)CCOC1 1358917514 SQMATBLVNXKCDJ-OXQOHEQNSA-N 457.497 2.239 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 1358966190 JPZBJBKCCLPHIK-NRFANRHFSA-N 452.584 2.123 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(c2ccccc2C#N)CC1 1359330492 UCVKQCKYDGYXIZ-UHFFFAOYSA-N 463.567 2.139 30 10 JEEE CC(C)[C@](C)(O)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1359653119 BHBJUXCYSRITRM-HYBUGGRVSA-N 452.559 2.257 30 10 JEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)NCCCN(CC)CC)CC1 1443479689 KFHVUTRSPZYGBJ-FQEVSTJZSA-N 450.624 2.380 30 10 JEEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCN2CCCO)CCCO1 1494477881 HTTURZHFEBZCHK-FPOVZHCZSA-N 454.575 2.191 30 10 JEEE COc1ccc(CCc2nnc(N3CCC[C@](C)(C#N)C3)n2CCN2CCCS2(=O)=O)cc1 1504226984 DYRSRERZAUSQKM-HSZRJFAPSA-N 472.615 2.237 30 10 JEEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1C[C@@H]1CCSC1)[C@@H]1CCS(=O)(=O)C1 1507637838 BXAJMCJSGRTTTI-ZWKOTPCHSA-N 476.624 2.246 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1NC(=O)CC1(C)C 1507675610 CPJDQVFHZLVVLO-OTWHNJEPSA-N 468.602 2.426 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@]2(O)CCO[C@H]2C)CC1 1507719626 AAOPIEFQOOAWFG-YCRPNKLZSA-N 478.366 2.142 30 10 JEEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1507848461 YEBSJHVJPWSDTH-QFIPXVFZSA-N 498.676 2.255 30 10 JEEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2ccc(F)c(F)c2)C1 1507852701 CEGWNIDNOJBGKU-WBMJQRKESA-N 461.922 2.497 30 10 JEEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1508090297 GUIQNLHSQVFHCS-RBBKRZOGSA-N 468.602 2.015 30 10 JEEE C=CCNC(=O)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC(C=C)CC1 1508093811 CXNXANWGZKPNDP-UHFFFAOYSA-N 463.630 2.347 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(Cc3csc(C)n3)n2CC2(CS(C)(=O)=O)CC2)C1 1508130761 WQGMHPDHWSVPIK-QGZVFWFLSA-N 451.618 2.240 30 10 JEEE C=CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CCN2C(=O)NC[C@H]2C1 1508152678 QFUSSRDACUDYIA-AWEZNQCLSA-N 466.409 2.179 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(S(C)(=O)=O)CCCC1 1508420828 DJJAXYAISQGORY-INIZCTEOSA-N 483.598 2.145 30 10 JEEE C#CCCCn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1539127676 MEAMLXNJTZAEHM-FGZHOGPDSA-N 463.630 2.304 30 10 JEEE C#CCN(CC#C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1539238820 CLFUBQYFCADYKG-ZWKOTPCHSA-N 476.002 2.426 30 10 JEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](c2ccccc2OC)C1 1539497995 PMRHAXRORWQIGL-IAGOWNOFSA-N 463.629 2.257 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(=O)N(C)CC 1539541828 MRYAWVNFLWQMLF-JOCHJYFZSA-N 457.604 2.017 30 10 JEEE C=C(Br)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC(=O)N(C)[C@@H](C)C1 1539600877 WJGPKQSNCOMEFH-GJZGRUSLSA-N 499.410 2.162 30 10 JEEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](NC(C)=O)C1 1539729377 PHOMVJNIRLTHJO-IBGZPJMESA-N 461.588 2.046 30 10 JEEE CCN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1Cc1csc(COC)n1 1547599372 FIZCLNBABNYBLD-UHFFFAOYSA-N 460.585 2.339 30 10 JEEE Cc1noc(C)c1S(=O)(=O)N1CCN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@@H]1C(=O)NC1CC1 1548369466 HCRYMXVRMKMZSJ-GOSISDBHSA-N 497.499 2.340 30 10 JEEE CNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1554370318 IFQSNSCBGCVDRY-UHFFFAOYSA-N 491.518 2.484 30 10 JEEE COCC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CC[C@@H](F)C2)CC1 1555204440 DJSZJKHEMIPIBA-RBUKOAKNSA-N 456.522 2.162 30 10 JEEE N#C[C@@]1(F)CCN(c2nnc(Cc3ccccn3)n2CCNC(=O)Cc2cccc(F)c2)C1 1555985071 HXBSMIGRVINPGW-QHCPKHFHSA-N 451.481 2.204 30 10 JEEE C#CCNC(=O)CN1CCCN(C(=O)c2cc3c(Br)ccc(Cl)c3[nH]2)CC1 1584999913 FBHOUZWZVXEYMX-UHFFFAOYSA-N 451.752 2.481 30 10 JEEE C=CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(OCCN3CCN(C)CC3)cc2)c1 1586993960 VADNUTCZZLZBMB-UHFFFAOYSA-N 458.584 2.029 30 10 JEEE C#CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1587723586 OAFNIBQJSXQXEM-UHFFFAOYSA-N 469.977 2.068 30 10 JEEE C#CCCCn1c(-c2ccccc2Br)nnc1N1CCN(S(C)(=O)=O)CC1 1587835204 PIFUFHIEFWKHKK-UHFFFAOYSA-N 452.378 2.203 30 10 JEEE C=CCNC(=O)Nc1ccc(NC(=O)C2(C(=O)OC(C)(C)C)CCS(=O)(=O)CC2)cc1 1587964801 QLDXNBSANFUEOS-UHFFFAOYSA-N 451.545 2.469 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H](C)Oc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1588050902 XMLULQVGQGNPOF-RBUKOAKNSA-N 466.567 2.138 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CCNc1ncc(Cl)cc1Cl 1588638053 NTLDWVAXEXPENA-OAHLLOKOSA-N 452.346 2.129 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2C[C@H]2CCCN2c2cnn(C)c2)CC1 1588891394 PBLPIPFCIZOHGN-AZUAARDMSA-N 452.607 2.160 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@H]2CCOC[C@@H]2OC)CC1 1588961875 POPDMXGRYYTJRS-VWNXMTODSA-N 495.624 2.491 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1589530204 SVJAIYUVIMQTMX-VYDXJSESSA-N 467.496 2.165 30 10 JEEE C=C(C)COCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(C(=O)C(C)C)CC1 1593747232 SDJCOUFFVBFTQQ-UHFFFAOYSA-N 482.633 2.349 30 10 JEEE C=C(Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCC#N)CC1CC1)c1ccccc1 1593789008 GLAARWFGQBKMHO-OAQYLSRUSA-N 470.599 2.454 30 10 JEEE C=CCCOCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1594784439 ZTUAGQPZMKHWEN-AZUAARDMSA-N 452.559 2.455 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(S(=O)(=O)NC)c1 1595156067 FDPGMOMPFYUQMP-LJQANCHMSA-N 486.623 2.440 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1CN1CCOCC1 1595218886 PQBRRYRQJMBTQW-JOCHJYFZSA-N 471.627 2.239 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCN(c2ncccc2C#N)CC1 1595776779 FKFXMUCRGKFZJQ-UHFFFAOYSA-N 463.567 2.139 30 10 JEEE C[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](C#N)C1)N(C)Cc1ccccc1 1611477179 CAAIJXMFTPUHSD-ICSRJNTNSA-N 460.542 2.175 30 10 JEEE N#Cc1cc(F)c(S(=O)(=O)N2CCC3(CCC3)S(=O)(=O)CC2)cc1Br 1622244285 AWWKILDDFFLIPG-UHFFFAOYSA-N 451.339 2.192 30 10 JEEE C#CCN(C(=O)NC[C@H]1c2ccccc2C(=O)N1Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1682712654 LSNQQTCEHLNRKH-UGKGYDQZSA-N 451.548 2.216 30 10 JEEE C#CCCCn1c(COc2ccccc2OCC)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1689940105 NVWSEBYBMVHNAC-JOCHJYFZSA-N 467.570 2.497 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1C[C@@H]1CCCN(C(C)=O)C1)[C@H]1CCS(=O)(=O)C1 1689984753 USGVDTLLDKCGTP-GGAORHGYSA-N 483.638 2.393 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@H]1OCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1689991941 DUNASCMUVKVVOW-TZIWHRDSSA-N 472.611 2.319 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(F)cc2Br)n1C[C@@H]1CC[C@H](CO)O1 1690098186 YTZDJFGQABTLCC-JKSUJKDBSA-N 467.339 2.473 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCc2cccnc2)CC1 1690134760 DUPLCQCYDBYXKG-OYRHEFFESA-N 465.602 2.442 30 10 JEEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN(c2cccc(OCC)n2)CC1 1690169972 VEZXLQZDOBIAPF-UHFFFAOYSA-N 450.572 2.222 30 10 JEEE C#CCSCCn1c(COc2ccccc2OCC)nnc1N1CCN2C(=O)OC[C@@H]2C1 1690185458 ZXTHJKLZUDQULW-KRWDZBQOSA-N 457.556 2.263 30 10 JEEE C=CCn1c(-c2ccc(F)cc2Br)nnc1N1CCN(CC(=O)NCC)CC1 1690634753 SINDEOVFASATJP-UHFFFAOYSA-N 451.344 2.291 30 10 JEEE CC(=O)N1CCC[C@@H](Cn2c(CC(C)C)nnc2N2CCN(c3ccc(C#N)cn3)CC2)C1 1690809212 DRUGTCOPSSUMLU-OAQYLSRUSA-N 450.591 2.328 30 10 JEEE CCCNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1695424173 CUFKFFDNYLJPKE-SFHVURJKSA-N 451.575 2.426 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1CC(F)(F)CNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1705570728 QHGJGESYGPZWRA-INIZCTEOSA-N 489.589 2.263 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3)n2CCN(C)CCCOC)CC1 1705635885 OZAWCHRGQUYMHB-UHFFFAOYSA-N 475.435 2.431 30 10 JEEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 1705736119 KUZAAHVRMUDWPO-UHFFFAOYSA-N 482.633 2.145 30 10 JEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](c2ccccc2)N2CCOCC2)CC1 1705763009 NBNRFQZJTTZMAZ-TZIWHRDSSA-N 474.631 2.118 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](c2ccccc2Cl)C1 1705927895 IEOWSGARIDUKFY-GOSISDBHSA-N 482.006 2.248 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1705935216 KDRGIJDWYXYNRA-UHFFFAOYSA-N 462.576 2.312 30 10 JEEE C[C@](O)(Cn1c(-c2ccc(C#N)cc2)nnc1N(CCS(C)(=O)=O)C1CC1)c1ccco1 1706897536 CLSXWDRACCIJAX-QFIPXVFZSA-N 455.540 2.331 30 10 JEEE Cc1nccnc1N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)C(C)C)CC1 1707796096 COFDMHDSOKCGLL-UHFFFAOYSA-N 459.558 2.014 30 10 JEEE C[C@H]1COCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(NS(C)(=O)=O)CC1 1708250059 HBCKDMVXUPBCDC-LPHOPBHVSA-N 458.588 2.007 30 10 JEEE CCC[C@@H](C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N2CCNC2=O)CC1 1709459465 BMWCMVOKZZFMGH-GOSISDBHSA-N 478.601 2.363 30 10 JEEE COc1cc(OC)cc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCS(=O)(=O)NC(C)C)c1 1711699283 FAVCXELLSROALU-QFIPXVFZSA-N 476.603 2.420 30 10 JEEE CS(=O)(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCSC2)C1 1712694845 AVCDMOZTINXQQW-PKOBYXMFSA-N 461.613 2.495 30 10 JEEE C#CCN(c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1722358995 HOXJBMXPZKWNRO-GOSISDBHSA-N 468.583 2.123 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(C)(C)OCC 1722427209 RNQAYJNFJAFDJP-SFHVURJKSA-N 465.595 2.488 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@]2(N(C)C)CCC[C@H](C)C2)CC1 1722445728 BFSCRTNRGTWWNC-DFBJGRDBSA-N 466.634 2.155 30 10 JEEE C#CCSCCn1c(N2CCN(c3nccnc3C)CC2)nnc1[C@]1(OC(C)C)CCOC1 1722464518 IVJNJCJPUCTXKE-QHCPKHFHSA-N 471.631 2.110 30 10 JEEE C=CCC(C)(C)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1722588055 IXZKKXBXBUGKSZ-UHFFFAOYSA-N 485.543 2.085 30 10 JEEE C=CCCOCCn1c(-c2cccc(OC)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1722623383 DHWMMXVZIHRTEX-IBGZPJMESA-N 454.531 2.019 30 10 JEEE C=CCCOCCn1c(-c2ccc(Br)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1722623848 MYURERQSTAASGO-QGZVFWFLSA-N 464.364 2.252 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)Cc2ccccc2C)CC1 1722695908 ULNBXZDIUHMRLH-UHFFFAOYSA-N 493.999 2.495 30 10 JEEE C=CCNC(=O)Cn1c(N(C)Cc2ccccn2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1722703613 DGVOZBZNBUJKNG-MAEOIBBWSA-N 455.563 2.382 30 10 JEEE C[C@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1CN1CCC[C@@H]1CO 1722861038 AJLDUUULGHDCDF-DENIHFKCSA-N 465.602 2.115 30 10 JEEE CCCN1CC[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(C(=O)NCC)CC2)C1 1728118549 BAZLOEIYSLAHDX-FQEVSTJZSA-N 450.591 2.400 30 10 JEEE CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1c(C)nn(C)c1C 1729189884 CKGSCBPCPXCEMS-MRXNPFEDSA-N 485.614 2.387 30 10 JEEE N#C[C@]1(F)CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2CCCN2CCCO)C1 1731179207 BBTJRDZHSBREFN-DNVCBOLYSA-N 466.359 2.324 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCO[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1740620820 RRXAKXWNDXQSPB-LZLYRXPVSA-N 463.991 2.435 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1ccc(-c2nc[nH]n2)cc1)[C@H]1CCS(=O)(=O)C1 1740625214 DSYDQOKLZWYVNZ-IBGZPJMESA-N 467.599 2.327 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)[C@@H]1CC 1740762804 GRCWZVLGKKFGRD-CBQOVEMMSA-N 450.543 2.425 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCCOCC(F)(F)F)CC1 1740810323 BHFICYBCYVDFOG-OAHLLOKOSA-N 485.960 2.024 30 10 JEEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1740869953 FLQJKZBTPARDAG-UHFFFAOYSA-N 487.626 2.390 30 10 JEEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 1740891024 OZOASZNYSCCKBH-CVEARBPZSA-N 468.624 2.300 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(Cc1ccnn1C)C1CC1 1740950705 DWAYRZOGAQYUON-UHFFFAOYSA-N 462.558 2.352 30 10 JEEE C=CCNC(=O)Cn1c(N(C)CC2COC(C)(C)OC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740964947 JVCXDITZYRLGLG-HDICACEKSA-N 492.621 2.186 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1740988388 CRGNBYXFQNHCTB-GOSISDBHSA-N 495.049 2.143 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCN(CC)[C@H](C)C1 1740992673 LIBJNNCWSZAXCK-MRXNPFEDSA-N 453.559 2.278 30 10 JEEE C=CCS(=O)(=O)CCn1c(CSc2ccc(C)cc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1740993534 DVKLJEUDZRVXQE-QFIPXVFZSA-N 475.640 2.339 30 10 JEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(=O)c2ccsc2)CC1 1748751962 PAFDUOYKJHXFFO-SFHVURJKSA-N 461.613 2.008 30 10 JEEE C#CCN(C)c1nnc(CCc2ccc(OC)cc2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1748794970 RWXOHGWXAHAKAR-IRLDBZIGSA-N 471.627 2.346 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1CCCCOCC)[C@H]1CCS(=O)(=O)C1 1748810703 ZVDOHMWFFJFDIJ-IBGZPJMESA-N 474.583 2.160 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1CCN(C)[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1748819470 PBHVDTJZEMHBKT-QUCCMNQESA-N 461.607 2.365 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@]2(O)CCC[C@H]2C)CC1 1749001277 OSHREUSRTVEVMU-PUFAWVJESA-N 472.634 2.355 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@](C)(O)c2ccsc2)CC1 1749009979 FFAUZQQSVMTDBA-QHCPKHFHSA-N 452.584 2.219 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2Cc2cc(C(CC)CC)no2)CC1 1749015232 AUKVHBMACGGVQK-UHFFFAOYSA-N 481.601 2.306 30 10 JEEE C#CCSCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN(S(C)(=O)=O)CC1 1749023327 RHMIWXOXQHSPQI-IBGZPJMESA-N 477.656 2.483 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(OC)c(F)c1 1749038583 LHZUUBXGACJMOA-MRXNPFEDSA-N 452.577 2.331 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN(C)C(=O)OC(C)(C)C)CC1 1749342897 RKGGEIFXIJACKB-KRWDZBQOSA-N 453.609 2.450 30 10 JEEE C=CCN(CC=C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1749565960 UETSXUYXZVSQGF-LJQANCHMSA-N 489.506 2.362 30 10 JEEE C=CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1749617707 JBNAXDGCNVICLT-UHFFFAOYSA-N 451.432 2.129 30 10 JEEE C=CCOc1ccc(Cn2c(CNC(=O)c3cccs3)nnc2N2CCS(=O)(=O)CC2)cc1 1749685194 AOLIQHDNFNXBBB-UHFFFAOYSA-N 487.607 2.118 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1749725544 RUWCWHUQHPUGQD-KRWDZBQOSA-N 499.597 2.213 30 10 JEEE N#C[C@@]1(F)CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCNS(=O)(=O)Cc2ccon2)C1 1750379741 HEHYOOMCQUSIIQ-IBGZPJMESA-N 497.915 2.287 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CCCC3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)c1 1760127992 TUECYFHMLFAKSY-OAQYLSRUSA-N 498.653 2.349 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cccc(N2CCOCC2)c1 1760222815 ZOKFONIUDJXQBM-UPVQGACJSA-N 463.582 2.350 30 10 JEEE C#CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@](C)(O)C(C)C 1760243662 CUUYTPTUJKNCJN-QFIPXVFZSA-N 462.620 2.040 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2cc(C)on2)CC1 1760263639 JNCFQSDXMGHGAV-HDICACEKSA-N 455.563 2.149 30 10 JEEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccc1C 1760356970 ARLZYBMQXMMWOQ-FQEVSTJZSA-N 463.604 2.149 30 10 JEEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(c2ccnc(C)n2)CC1 1760510056 DSWOQUKVCQJSGU-GOSISDBHSA-N 470.578 2.198 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1760517085 BSPXFRCSKHNRAG-SFHVURJKSA-N 470.574 2.006 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](C(=O)NC)C1 1760532127 LSTNOTRTWOASLB-IBGZPJMESA-N 452.559 2.090 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Br)nnc1N1CCO[C@@H](COC)C1 1760553062 KKKAAFUEMKTWOR-OAHLLOKOSA-N 485.404 2.160 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 1760557036 XZEODMAAVDVFOJ-LJQANCHMSA-N 476.578 2.371 30 10 JEEE Cc1nccnc1CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)C[C@H](C)C#N 1762371767 COEDUCKJNBUTKN-MRXNPFEDSA-N 468.587 2.132 30 10 JEEE CCc1nn(C)c(OC)c1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](C)C1 1762820364 HQQOWQUBCOHKSG-INIZCTEOSA-N 451.531 2.307 30 10 JEEE CN(c1ccc(NS(=O)(=O)c2ccccc2C#N)cn1)S(=O)(=O)c1ccc2c(c1)OCO2 1858272572 VYDDHZPKHIMMER-UHFFFAOYSA-N 472.504 2.308 30 10 JEEE C#CCOc1cn(CCN2CCOCC2)c(CN2CCN(C/C=C/c3ccccc3)CC2)cc1=O 1870560558 BGDFMJAGVQKMSS-RMKNXTFCSA-N 476.621 2.024 30 10 JEEE C=CCNC(=O)c1cc2c(N3CCN(c4ccccc4OC)CC3)ncnc2n1CCOC 1873590536 XCTAQKHPYASZHT-UHFFFAOYSA-N 450.543 2.329 30 10 JEEE C=CCOc1ccccc1/C=N/n1c(CNC(C)=O)nnc1SCC(=O)NCc1ccco1 1874433297 JMNQGBHQHSLKHB-BRJLIKDPSA-N 468.539 2.363 30 10 JEEE COc1ccc([C@@H]2[C@H](C(=O)N3CC[C@H](Oc4cc(C#N)ccn4)C3)OCC(=O)N2C(C)C)cc1 1889702904 LWCVLIRDWQDKHL-TUACAJSNSA-N 464.522 2.319 30 10 JEEE O=C(C[C@@H]1CSc2nc3c(cnn3-c3ccccc3)c(=O)n21)NCC#CCN1CCCCC1 1889844272 WGIWOLYAJHJUEV-LJQANCHMSA-N 462.579 2.225 30 10 JEEE N#Cc1cccnc1OC1CCN(C(=O)C[C@@H]2CSc3nc4c(c(=O)n32)CCCC4)CC1 1891258795 RZXKQYDMHKGDTQ-MRXNPFEDSA-N 451.552 2.496 30 10 JEEE COc1cccc(-n2nnc3c(N4CCN(C(=O)Nc5ccc(C#N)cc5)CC4)ncnc32)c1 1891266125 IVMYKERUDQJCAA-UHFFFAOYSA-N 455.482 2.445 30 10 JEEE C=CCNCCC(=O)Nc1c(I)nc(C)nc1I 2058123472 UKLXVEXHQBDTAS-UHFFFAOYSA-N 472.068 2.098 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C(F)(F)C1 2124540637 KAHYFGNKVXGNIH-CYBMUJFWSA-N 454.283 2.217 30 10 JEEE CC#CC[C@H](NC(=O)c1cc(I)cc(I)c1O)C(=O)O 2145544961 UUWNSDARRNPEEV-JTQLQIEISA-N 499.042 2.198 30 10 JEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H](CO)NC(=O)OC(C)(C)C)c1C 2255630114 FZPYOZULUSLFPV-CQSZACIVSA-N 454.398 2.280 30 10 JEEE CN(CC1CN(C(=O)OCc2ccccc2)C1)C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2255647334 XFLOZGKTIUGSJL-UHFFFAOYSA-N 466.347 2.116 30 10 JEEE CC1(C)OB(c2cc(C(=O)N3CCC[C@H](CNC(=O)OCc4ccccc4)C3)[nH]n2)OC1(C)C 2255656563 CIBQPRARNBRVLI-GOSISDBHSA-N 468.363 2.488 30 10 JEEE CN(C[C@@H](O)COCc1ccccc1)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2255942132 MGPNNDRUKDVQTB-GOSISDBHSA-N 467.418 2.246 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1CC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2256627405 AGUQAGOHFWOELT-QWHCGFSZSA-N 452.386 2.281 30 10 JEEE COCC1(CNC(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2267290938 JQEZKVHIQOQXQB-UHFFFAOYSA-N 450.341 2.192 30 10 JEEE CC(C)(C)OC(=O)NCC=CCNS(=O)(=O)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2267467432 NLLGJYYQDQOZKZ-UHFFFAOYSA-N 466.409 2.486 30 10 JEEE CC(C)(C)OC(=O)N=S1(=O)CC2(CN(C(=O)c3coc(B4OC(C)(C)C(C)(C)O4)c3)C2)C1 2267494574 FRVYXJHNTAJFKO-UHFFFAOYSA-N 466.365 2.438 30 10 JEEE Cc1c(C(=O)N[C@H](CNC(=O)OC(C)(C)C)C(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2267509775 AOOYHCXHFMXXHR-OAHLLOKOSA-N 450.389 2.307 30 10 JEEE Cn1cc(C(=O)N2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2267522775 YOXDNZVMQGTFMX-IBGZPJMESA-N 482.390 2.498 30 10 JEEE CO[C@@H]1C[C@@H](CNC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)N(C(=O)OC(C)(C)C)C1 2267536765 MADCARVHWLOZTC-UONOGXRCSA-N 467.397 2.197 30 10 JEEE CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1sccc1B1OC(C)(C)C(C)(C)O1 2268642018 DAPKHDGMSLEHOS-INIZCTEOSA-N 467.441 2.461 30 10 JEEE CO[C@H](CNC(=O)OC(C)(C)C)CC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2268655127 IDUVBEFZHVTHSJ-AWEZNQCLSA-N 453.320 2.388 30 10 JEEE Cn1cc(C(=O)N[C@H]2CCCC23CN(C(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)n1 2281963364 KQNBQMGHNPEHAF-INIZCTEOSA-N 460.384 2.239 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(OC)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2281966258 IKFXTSPSKKCYLE-HNNXBMFYSA-N 464.372 2.215 30 10 JEEE CN(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)[C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 2282174509 GJDUPKJRVQYSDX-GJZGRUSLSA-N 463.388 2.022 30 10 JEEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@@H](CNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)C2 2282175360 WFKXYEADONMYTF-VYDXJSESSA-N 458.368 2.294 30 10 JEEE CN(CCOCCN(C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn1C)C(=O)OC(C)(C)C 2282186873 AHGQKGRNNFWYRY-UHFFFAOYSA-N 465.400 2.280 30 10 JEEE COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)NCC1(NC(=O)OC(C)(C)C)COC1 2282527338 BKHPEKDPPBGULL-UHFFFAOYSA-N 462.352 2.018 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H]2OCCN(C(=O)c3occc3B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2282536294 AITKWOZMFNCIQR-SJORKVTESA-N 462.352 2.429 30 10 JEEE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1N(C)C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2282544479 ODIHUOLFYGTUQW-WBVHZDCISA-N 462.400 2.437 30 10 JEEE CC(C)(C)OC(=O)N1CCC([S@@](C)(=O)=NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CC1 2282565911 QNXMGMZMPNAAEV-MGBGTMOVSA-N 482.412 2.346 30 10 JEEE Cc1nn(C)c(C(=O)N[C@](C)(CNC(=O)OC(C)(C)C)C2CC2)c1B1OC(C)(C)C(C)(C)O1 2282584823 GTPCYTPRFGQWNW-HSZRJFAPSA-N 462.400 2.451 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1C[C@H](OC)[C@H](NC(=O)OC(C)(C)C)C1 2282667250 PMVBLEIINWUJOZ-AEFFLSMTSA-N 463.384 2.171 30 10 JEEE CC1(C)OB(c2ccc(C(=O)NC[C@H]3CN(Cc4ccccc4)CCCO3)nc2)OC1(C)C 2282669987 YRXFQIKXEVPWIC-NRFANRHFSA-N 451.376 2.402 30 10 JEEE CN([C@@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282841983 RCXYEFZTKRNCQS-MIFYACCESA-N 499.464 2.069 30 10 JEEE CC(C)(C)OC(=O)N[C@@]12C[C@H]1CN(C(=O)c1cc(B3OC(C)(C)C(C)(C)O3)c(O)cc1O)C2 2282913870 WQEDIFHKHZSKRG-ZAMGYDSWSA-N 460.336 2.136 30 10 JEEE Cc1nc(NC(=O)[C@@]2(N(C)C(=O)OC(C)(C)C)CCOC2)ncc1B1OC(C)(C)C(C)(C)O1 2283986544 RMFDWDPHOWRFCW-JOCHJYFZSA-N 462.356 2.049 30 10 JEEE Cc1nc(NC(=O)[C@@]2(CNC(=O)OC(C)(C)C)CCCO2)ncc1B1OC(C)(C)C(C)(C)O1 2283992204 YMINEWDNUHXGGX-QFIPXVFZSA-N 462.356 2.097 30 10 JEEE CN(Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 2284063310 MOEUSBSPMNKZIH-XMMPIXPASA-N 460.380 2.316 30 10 JEEE CCCOC(=O)CSc1nnc(CCOC)n1N=Cc1cc(OC)c(OC)cc1OC 2331311845 DLNKCXRRVNVUHW-UHFFFAOYSA-N 452.533 2.420 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1 2337197705 AAKSPKVXOPZUOF-IBGZPJMESA-N 482.390 2.498 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2C[C@@H](NC(=O)c3nccnc3B3OC(C)(C)C(C)(C)O3)C[C@@H]21 2359310045 LFJKQTYBCWCDJH-FZKCQIBNSA-N 458.368 2.197 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H]3C[C@]3(CNC(=O)OC(C)(C)C)C2)n1C 2362481196 QWOIJTLTYPMAIF-CMJOXMDJSA-N 460.384 2.015 30 10 JEEE Cn1ncc(C(=O)NC[C@@]23CC[C@@H](C2)N(C(=O)OC(C)(C)C)C3)c1B1OC(C)(C)C(C)(C)O1 2363698262 YYGOEEJBIZTPSS-NPMXOYFQSA-N 460.384 2.239 30 10 JEEE CN(C)c1ccc(/C=N/Nc2nc(SCC(=O)NCc3ccc4c(c3)OCO4)n[nH]2)cc1 59005199 NEGVOAQCCVCWOP-FOKLQQMPSA-N 453.528 2.454 30 10 JEEE CCc1cccc(CC)c1N1C(=O)[C@H]2[C@H](C1=O)[C@@](CC(=O)O)(C(=O)O)N[C@H]2c1ccc(C#N)cc1 252079441 FFCYWFCAGGMKTE-LMMUWCHVSA-N 475.501 2.431 30 10 JEEE C#CCN(C(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1)[C@H]1CCS(=O)(=O)C1 729330712 DBCFRFQLFSCXNO-FQEVSTJZSA-N 460.577 2.083 30 10 JEEE Cc1nn(C(C)C)c(C)c1C=NNc1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)n1N 1084014708 DGEBVJLMKZTPRN-UHFFFAOYSA-N 472.535 2.471 30 10 JEEE COc1ccc(CCNC(=O)CSc2n[nH]c(NN=Cc3ccccc3O)n2)cc1OC 1084645657 ISGWEMQUXXWMGL-UHFFFAOYSA-N 456.528 2.425 30 10 JEEE C=C[C@H](CO)NC(=O)C1(c2ccccc2)CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1 1148559312 BWDVCHKDYUABFI-OAQYLSRUSA-N 456.564 2.275 30 10 JEEE C#CCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1286344352 AFKXFDGTBNXBQE-UHFFFAOYSA-N 473.599 2.380 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1CCC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1286382327 ADQLYYALDQTDLW-ZWKOTPCHSA-N 476.574 2.489 30 10 JEEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccccc1OCC)[C@@H]1CCS(=O)(=O)C1 1286385329 WLFRVZSQIROQSM-HYBUGGRVSA-N 488.610 2.004 30 10 JEEE C#CCN(c1nnc(-c2ccccc2)n1CC1(SC)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1286389213 ZEXAQAGADWLVIW-LJQANCHMSA-N 460.625 2.484 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC1(CCOC)CCCC1)[C@H]1CCS(=O)(=O)C1 1286393657 MAVHMGDBZAHDFH-MOPGFXCFSA-N 450.605 2.006 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@]1(O)CCCC1(C)C 1286401944 TWNMVBARAGBSSZ-DEOSSOPVSA-N 469.611 2.209 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1csc(COC)n1 1286408403 GGBNAIFFBLVNHS-UHFFFAOYSA-N 473.562 2.399 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cscc1C(F)(F)F 1286466904 LGFBUROSRMNJSN-CYBMUJFWSA-N 462.519 2.395 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)Cc2ccc(OC)c(OC)c2)CC1 1286470731 BPAVMWNTFTZEAF-FQEVSTJZSA-N 480.613 2.165 30 10 JEEE C=C(Br)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1286531315 XATSEPXOGGAEFP-GOEBONIOSA-N 493.793 2.485 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1286559941 ZREDLFCNSAQOID-WATLYSKOSA-N 481.645 2.282 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC(NC(=O)C(C)C)CC1 1286782931 CYDAMFDFZVLKLW-UHFFFAOYSA-N 470.574 2.006 30 10 JEEE C=CCOc1ccccc1Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)NC)CC1 1286799556 XAURVKRPDJSWRN-UHFFFAOYSA-N 495.609 2.344 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC[C@H]2CCOC2)C1 1286803802 KCIODPNSTOQWQE-AZUAARDMSA-N 475.615 2.403 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1286816947 OGUWNCXFLVWXIS-LJQANCHMSA-N 489.642 2.244 30 10 JEEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCn2cncn2)CCN1CC(F)(F)F 1291278954 FODOPSDBLHFOBM-MRXNPFEDSA-N 475.479 2.093 30 10 JEEE CCc1nn(C)c(OC)c1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](C(=O)NC)C1 1292775515 BYKWWHHUKAYWGD-SFHVURJKSA-N 462.558 2.132 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCc1sc(C)nc1C)[C@H]1CCS(=O)(=O)C1 1300496611 SLXKBHOLNPYECA-ZWKOTPCHSA-N 463.629 2.462 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(C)C)n1CCN1CCOC(C)(C)C1 1300643184 XKCCXLYAEYEYBW-UHFFFAOYSA-N 456.566 2.306 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@](C)(O)C2CC2)CC1 1300725786 DMFOXMVYIVMDSK-RUZDIDTESA-N 451.571 2.004 30 10 JEEE C=C1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@H](COC)OC)CC1 1301087282 ZOFGSULJODROCF-ROUUACIJSA-N 451.568 2.404 30 10 JEEE COCC[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1315991575 AKBSSHXNFQNYPW-AZUAARDMSA-N 458.588 2.104 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(Cc2ccccc2)CC1 1358890851 WIBSGASUQNGWLN-UYAOXDASSA-N 457.600 2.092 30 10 JEEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1358922175 WEMDOHQWFHVNAK-CQSZACIVSA-N 469.409 2.215 30 10 JEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1358922322 BHCGABFWONVTKG-IBGZPJMESA-N 484.626 2.104 30 10 JEEE C#CCN(C)c1nnc(CCOc2ccccc2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1358951583 CVXAFJOULUARCQ-CTNGQTDRSA-N 457.600 2.173 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@@](C)(O)C(C)C)[C@H]1CCS(=O)(=O)C1 1358967876 UUWBIPODYCBGQX-WMZHIEFXSA-N 460.600 2.199 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(c2ccccc2)CCOCC1 1358993940 AECUZCHNZYYDNH-OAQYLSRUSA-N 466.607 2.392 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1359295264 WINGUPVGEKURKW-AWEZNQCLSA-N 481.420 2.376 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCO[C@@](C)(c2ccccc2)C1 1359330880 GHPQEXOWYGXZRM-JOCHJYFZSA-N 456.572 2.031 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC(O)(c2c(F)cccc2F)CC1 1359331086 NAVRPKKMQCNUNG-UHFFFAOYSA-N 492.552 2.046 30 10 JEEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2csc(CC)n2)CC1 1359341790 HPQVCOPGGYAUDM-QGZVFWFLSA-N 461.661 2.490 30 10 JEEE C#C[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCN(C(C)=O)CC2)c1)c1ccc(Cl)cc1 1436648673 MAZJWXULPPJBRC-NRFANRHFSA-N 459.955 2.297 30 10 JEEE CC(=O)N1CCc2c(NC(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)cccc21 1466264711 CAULQJVADJUDLV-UHFFFAOYSA-N 453.524 2.006 30 10 JEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Nc1cc(N2CCOCC2)c(Br)cn1 1476746011 UWKWQCMCRCTNMX-UHFFFAOYSA-N 453.337 2.490 30 10 JEEE COC(=O)N1CCC(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@@H](C)CS(C)(=O)=O)CC1 1503885938 DFYQMYBIVZAGHQ-INIZCTEOSA-N 474.587 2.164 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1507549379 ZTVCTSUHXWXQRY-JEEBJRHZSA-N 454.575 2.128 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCCCC(F)(F)C1)[C@H]1CCS(=O)(=O)C1 1507622709 KZKNXESPLKWJNK-SJORKVTESA-N 471.574 2.259 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H](OC)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1507625514 JWYWBSSFYLIQKO-YYDVJCTNSA-N 482.647 2.007 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1CC[S@@](=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1507638375 DWYLLUIDBGQKSA-PLTNMMHCSA-N 476.668 2.237 30 10 JEEE C#CCN(c1nnc(COCC)n1C[C@H](c1ccc(C)cc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1507638418 QUUYPJSJOZVJSX-NHCUHLMSSA-N 459.616 2.053 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCOC[C@@H]1C 1507710182 CLLLTPUXCSRXES-ZCNNSNEGSA-N 477.606 2.345 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OCC)n2C[C@H]2CCOC2)CC1 1507740932 HUDWAYOVQZHLBY-LJQANCHMSA-N 467.570 2.258 30 10 JEEE C#CCSCCn1c(CC2CC2)nnc1N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 1507754615 FMMPUOJYCNXQOZ-IBGZPJMESA-N 451.662 2.428 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(=O)COC)CC1 1507807816 WOPYMMMHGAIOIO-SBUREZEXSA-N 475.540 2.423 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cc(F)ccc2F)CC1 1507844357 IPDBIUYOVYXDSK-KRWDZBQOSA-N 481.569 2.378 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCCN(C(=O)Cc2cccc(F)c2)CC1 1508080231 MJNKLSZQSXOMQO-UHFFFAOYSA-N 477.544 2.063 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC2(CCC(F)(F)CC2)C1 1508141200 LRITZKUCSQYLGU-OAHLLOKOSA-N 457.547 2.236 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 1508142599 UEVGWJQICKELQE-QGZVFWFLSA-N 491.570 2.339 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CC[C@H](C(=O)N(C)c2ccccc2)C1 1508142761 BFWIBXHCBYHTLW-NRFANRHFSA-N 494.621 2.354 30 10 JEEE C#C[C@H](NC(=O)[C@H](Cc1cccc(Br)c1)[C@H]1CCS(=O)(=O)C1)[C@@H]1CCCO1 1537762506 DFDQYFYCGYUWOY-NQYYFHDYSA-N 454.386 2.340 30 10 JEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CCCN1CCC 1539237450 DHUSMJUMODNKJF-FQEVSTJZSA-N 467.643 2.494 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@]1(C)COCCO1 1539264227 XZGUYEAUVVVAJH-DVECYGJZSA-N 457.575 2.271 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2CC(C)(C)N2CCOCC2)CC1 1539474472 REQAQPYSEVULDG-UHFFFAOYSA-N 464.614 2.330 30 10 JEEE C=CC1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@]2(OC)CCOC2)CC1 1539877972 MTGFNYYXUZAHKY-QHCPKHFHSA-N 475.615 2.403 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCC(C)(C)COC)CC1 1539890046 HTEADAIEAKODAM-LJQANCHMSA-N 469.652 2.466 30 10 JEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](OCCOC)C1 1540858356 SZWNFUNWHOIQJK-MSOLQXFVSA-N 451.568 2.404 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@H](n2cncn2)C1 1540863092 OXPAIAJBJZURGM-SJORKVTESA-N 454.510 2.292 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)c2ccccc2)CC1 1540866730 YIFAWNCMYQPZTJ-UHFFFAOYSA-N 465.945 2.258 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1540899587 TXWUBPUPQHILFP-SFHVURJKSA-N 480.034 2.358 30 10 JEEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](O)CC2(CCCC2)C1 1540907128 MAUQLJNZEVSTNS-QGZVFWFLSA-N 493.655 2.002 30 10 JEEE C=CCCC[C@@H](NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)OC 1558380721 FCJJNZUVKLBGID-MSOLQXFVSA-N 453.517 2.152 30 10 JEEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 1587783610 UUSCROGYKQLJDX-VXKWHMMOSA-N 483.661 2.021 30 10 JEEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1CCc1c(OC)cc(OC)cc1OC 1587975114 NZECHDHWEHFULN-UHFFFAOYSA-N 453.499 2.344 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1CCc1cccc(C(=O)N(C)C)c1)[C@@H]1CCS(=O)(=O)C1 1588030690 ZSHCZNDTEHYGDH-WIYYLYMNSA-N 471.627 2.363 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(NC(=O)CCC)cc1 1588228751 LLGGCHXLKXMYBL-FQEVSTJZSA-N 467.595 2.430 30 10 JEEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1CCN1CCN(C)C(C)(C)C1 1588241080 KAMYKNAADGWVAL-UHFFFAOYSA-N 458.614 2.006 30 10 JEEE C#CCSCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCO[C@@H](C#N)C1 1589059632 HEKXFHKNSIFQPQ-ROUUACIJSA-N 460.604 2.488 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1594455568 RWYHPGMACQYSOH-IAGOWNOFSA-N 470.549 2.307 30 10 JEEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1594733260 PVUAXYCJBJCATK-OKZBNKHCSA-N 465.620 2.450 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCCC[C@H]1CC)C1CC1 1595058970 YNWDFTQVAJJVCU-QUCCMNQESA-N 466.652 2.030 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCOCC1 1595133237 DNGJWWKDGVDABI-NRFANRHFSA-N 493.605 2.369 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1595577422 RTGWVLNXAVIOIK-OALUTQOASA-N 461.950 2.197 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N(C)[C@H](C)[C@H](C)S(C)(=O)=O)cc1 1595607907 LDEOLJFUCPTDGB-MSOLQXFVSA-N 475.615 2.385 30 10 JEEE C=CCSCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@](C)(C(=O)NC)C1 1595845771 ZVYUVJLOJOUYGW-QFIPXVFZSA-N 491.687 2.428 30 10 JEEE C[C@@]12CC[C@@H]3[C@H](CC[C@@]4(O)C[C@@H](O)CC[C@]34/C=N/CCCO)[C@@]1(O)CC[C@H]2C1=CC(=O)OC1 1614466712 ZPYOXVKJNQBTTC-WJJRIDSESA-N 461.599 2.153 30 10 JEEE CCOC(=O)N[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)NC(C)C)C1 1616026257 AOLQQEHRGWTTPS-IBGZPJMESA-N 483.573 2.358 30 10 JEEE CNC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCOC[C@@H]2C)C1 1618653225 DSKXJRDFANNLBU-DFQSSKMNSA-N 452.559 2.364 30 10 JEEE CS(=O)(=O)N1CCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(F)(F)CC1 1620169138 GGGTXEWAXMLNBC-QGZVFWFLSA-N 450.515 2.476 30 10 JEEE C=CCNS(=O)(=O)c1ccc(C(=O)N(C)Cc2nnc3n2CCC[C@@H]3C(F)(F)F)cc1 1645208180 RRZRGDNCCHVBCR-HNNXBMFYSA-N 457.478 2.454 30 10 JEEE CC(=O)N1CCN(CCOc2ccc(CCNC(=O)Nc3cccc(CC#N)n3)cc2)CC1 1680209515 YBHUUXBIPMYDQE-UHFFFAOYSA-N 450.543 2.055 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCN(C)CCCOC 1689853460 TYIQYNXKHWNLOX-RTBURBONSA-N 464.611 2.013 30 10 JEEE C#CCCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)CC(=O)N1CCOCC1 1689887259 VBYDCTFQVCMDIR-UHFFFAOYSA-N 491.596 2.334 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2ccccc2F)n1CCC[C@@H]1NC(=O)NC1=O 1690033153 RPBZYEGMJWHEOP-WMZOPIPTSA-N 452.490 2.008 30 10 JEEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1CCNC(=O)c1ccc(C)cc1 1690054422 WNZAAAKGRZLCDG-UHFFFAOYSA-N 474.590 2.471 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCN2C[C@@H](C)O[C@H](C)C2)CC1 1690135192 QYLADJLYKDDAFN-SSGKUCQKSA-N 472.678 2.451 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCSC(F)(F)F)CC1 1690153828 CLKDQJCEARFMMF-HOTGVXAUSA-N 475.537 2.221 30 10 JEEE C=C(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1690273231 IYQYALVZDCKBGX-UHFFFAOYSA-N 474.009 2.084 30 10 JEEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@H](c3cnn(C)c3)C2)cc1 1690678959 GNOLPYSCURVUJX-PKOBYXMFSA-N 485.614 2.229 30 10 JEEE C=CCOc1ccccc1Cn1c(-c2cccnc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1690682131 FOMCAKYWWOFLLV-UHFFFAOYSA-N 468.583 2.471 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N(C)Cc1ncc(Cl)n1C 1690723823 BOSFMYIXBQDPPY-QGZVFWFLSA-N 492.989 2.415 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]1c1ccc(OC)cc1 1690724886 YDDQGPOCVITIAJ-QUCCMNQESA-N 494.639 2.131 30 10 JEEE C[C@H](C#N)CN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1690994961 AJMGFPQDJRVFCW-IAGOWNOFSA-N 468.587 2.213 30 10 JEEE CCN1C[C@@H](C)N(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)NC(C)C)C[C@H]1C 1695802472 AAQNNIFBLMXPNI-QZTJIDSGSA-N 459.620 2.063 30 10 JEEE COc1cc2c(cc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CC#N)CC1)O[C@H](C)C2 1697314500 HNXNFLQZYMARMZ-CVEARBPZSA-N 488.614 2.399 30 10 JEEE C#CCCCn1c(N(C)[C@@H]2CCS(=O)(=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705539355 PGDMVRJTQYCHBI-IXDOHACOSA-N 451.593 2.086 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@@H]1CCO[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1705564037 JTXHHVWURAVNKT-OTWHNJEPSA-N 458.584 2.396 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@](C)(O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1705565232 HIYZRERFFHYHPQ-QTEQDKRBSA-N 458.584 2.054 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCC2(COC)CCCC2)CC1 1705632671 YDVNYVTXLPDPTB-UHFFFAOYSA-N 451.575 2.278 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(CC)cc3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC1 1705635798 LLFSDIFSFJDCIN-XMMPIXPASA-N 477.657 2.205 30 10 JEEE C#CCN1CCN(c2nnc(CSc3ccccc3OC)n2CC2(CS(C)(=O)=O)CC2)CC1 1705643528 JJVCIOPGCCHTEV-UHFFFAOYSA-N 489.667 2.159 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccc(C(F)(F)F)c2)CC1 1705647344 FQFQCSQBNJWLBD-GOSISDBHSA-N 474.487 2.262 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2Cc2ccc(OCCOC)cc2)CC1 1705649469 YRFRKDJVPOOEQN-UHFFFAOYSA-N 474.565 2.379 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3CC)n2C[C@@]2(O)CCSC2)CC1 1705651013 GMAIODDNIASDSF-VWLOTQADSA-N 483.638 2.253 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)cn2C)n1CCC[C@@H]1NC(=O)NC1=O 1705669660 SHOAQMNCGCJIND-VBKZILBWSA-N 474.363 2.026 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)[C@H](C)C1 1705708440 CJZMYAUPIJGLRQ-BOCKYXSRSA-N 450.543 2.377 30 10 JEEE C=C(C)COCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(CC(N)=O)CC1 1705737355 OYLDVCICVSUGJX-LJQANCHMSA-N 492.621 2.271 30 10 JEEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)Cc2cccc(F)c2)CC1 1705829378 OWZQNRNMYVTRKV-NRFANRHFSA-N 484.576 2.242 30 10 JEEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCO[C@@H](COC(C)C)C1 1705900433 DFPHEMMDPGWLKY-GOSISDBHSA-N 452.559 2.369 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1705933682 OWUIWTOBKRFZRZ-OAQYLSRUSA-N 481.582 2.212 30 10 JEEE Cc1occc1CN(C)c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CCS(=O)(=O)CC1 1707016940 HGYPZJZSMVQYDO-UHFFFAOYSA-N 485.566 2.206 30 10 JEEE CCc1nc(CN(C)c2nnc(COc3ccc(C#N)cc3)n2CCS(C)(=O)=O)cs1 1709000345 CNFFMZUYSMQLLW-UHFFFAOYSA-N 460.585 2.429 30 10 JEEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1709842603 FAAILOUAMHHPOP-IBGZPJMESA-N 451.575 2.474 30 10 JEEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1722318660 QQBZKLPVVJNVOW-RBUKOAKNSA-N 456.616 2.230 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCN(C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1722366797 KOZBCDICAAEOHQ-PKTZIBPZSA-N 485.654 2.321 30 10 JEEE C=C(C)COCCn1c(-c2cc(Br)cn2C)nnc1N1CCN2C(=O)OC[C@H]2C1 1722528674 JPTWJLOWPOHUQB-OAHLLOKOSA-N 465.352 2.280 30 10 JEEE C=C(C)COCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1722529973 JHPZKSXQTRKRLT-OALUTQOASA-N 451.579 2.432 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](CN2CCCCCC2)C1 1722727782 LFRSBSIOTJXNGL-LEWJYISDSA-N 465.664 2.475 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CC[C@](O)(Cc2cccc(Cl)c2)C1 1722728497 VXYPLFJCTIHJNM-QFIPXVFZSA-N 489.001 2.173 30 10 JEEE C[C@@]1(C#N)CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCOc2ncccc2Cl)C1 1724009770 FTPWXMKIMCCKEN-QRWLVFNGSA-N 464.979 2.438 30 10 JEEE CCN1CCN(CCCn2c(CNC(=O)c3cccs3)nnc2N2CCC[C@@](C)(C#N)C2)CC1 1728638212 HLJYADSPMRNPAP-DEOSSOPVSA-N 484.674 2.427 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCNC(=O)c1ccc(C)cc1 1740547169 PSFYAFFYDIQVRL-SFHVURJKSA-N 479.610 2.435 30 10 JEEE C#CCN(c1nnc(COCC)n1Cc1cccc(OCC(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 1740627913 LEYDKIIWJBGLEF-QGZVFWFLSA-N 486.516 2.431 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H]2CCCCN2CCC)CC1 1740702833 ABIWCFAUNVGCEI-BKMJKUGQSA-N 486.661 2.161 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C(CC)CC)N1CCOCC1 1740726225 ZJAMFESYQFRJPA-GREBRCKQSA-N 480.679 2.017 30 10 JEEE C=C(Br)Cn1c(CCc2ccccc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1740747280 CVKTVSQQZVHGQP-KRWDZBQOSA-N 473.375 2.445 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)Cc1c(F)cccc1F 1740782538 VHXGFPNFLYDBEG-GOSISDBHSA-N 455.531 2.492 30 10 JEEE C=C(C)COCCn1c(Cc2ccccc2OC)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1740794347 YCUAKQNCTNFEBX-QFIPXVFZSA-N 482.629 2.213 30 10 JEEE C=CCCOCCn1c(-c2cccn2C)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1740883299 PJWCIEMDIJRPDC-OAQYLSRUSA-N 469.634 2.399 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)cc1C(F)(F)F 1740899015 CXPNMDAOZWJLOW-INIZCTEOSA-N 477.484 2.439 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2ccccc2F)C[C@H]1C 1740966647 VIQDBRAPGROOAX-FGSXEWAUSA-N 472.565 2.159 30 10 JEEE C#CCCCn1c(-c2cc(OC)ccc2Br)nnc1N(C)CC(=O)N1CCOCC1 1748735599 RQXJFIBHSDJSQN-UHFFFAOYSA-N 476.375 2.425 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1CCCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1748821665 SCEONQKQNXMZOF-QFIPXVFZSA-N 466.611 2.285 30 10 JEEE C#CCN(c1nnc(CSc2ccccc2OC)n1CCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1748824032 HPDKKTVYXBKYJJ-LJQANCHMSA-N 489.667 2.302 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCCN(C)CC(F)(F)F)CC1 1748984953 XPRKWMLITHTDHD-UHFFFAOYSA-N 464.492 2.313 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2CCNC(=O)c2ccccc2F)CC1 1749004827 NSDROGRHGQKOEU-QGZVFWFLSA-N 454.550 2.327 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2cccnc2OCCCC)CC1 1749010341 QKJKXFYVMYFFIJ-NRFANRHFSA-N 466.586 2.370 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCS(=O)(=O)CC1 1749121900 QIRZPDNUMHHECJ-UZLBHIALSA-N 492.598 2.187 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC(C)C)C(C)C 1749131715 VACCECWHVKCYIG-UFYCRDLUSA-N 469.652 2.463 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1749158335 HJLQANXLWZKHPA-QZTJIDSGSA-N 474.635 2.083 30 10 JEEE C=C(Cl)Cn1c(N2C[C@H](C)[C@@H](N3CCCN(C(C)=O)CC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1749282507 ZKOSTTGCOBAUSC-XZOYJPPVSA-N 495.068 2.450 30 10 JEEE C=CCN(CC=C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@]1(O)CCO[C@@H]1C 1749573567 PJVBPKAWOKTFHC-OSPHWJPCSA-N 450.543 2.393 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1749657763 FFZWZTSFYFPJGV-UHFFFAOYSA-N 461.954 2.210 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1749657972 ITCNIKBHCRECKC-UHFFFAOYSA-N 456.554 2.403 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(Cc1ccco1)Cc1cccs1 1749669427 KQNVRAHRVLAVAY-MRXNPFEDSA-N 475.596 2.344 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN([C@@H](C)c2nc(CC)no2)CC1 1749677201 RCANNCIVLCFPCA-INIZCTEOSA-N 470.603 2.061 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1749732539 YLNJDOMRYZQYAI-QGZVFWFLSA-N 481.022 2.148 30 10 JEEE CC(C)CCOc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCNS(C)(=O)=O)cc1 1750802763 AOHVRGKCWDOQJA-NRFANRHFSA-N 464.567 2.361 30 10 JEEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1760162133 ZRULIHODOUQENR-CDNNERCOSA-N 486.661 2.042 30 10 JEEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCn1cc(Br)cn1 1760171179 XUKRAFXRLYJSBR-UHFFFAOYSA-N 481.358 2.404 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCCNc1ccccn1)[C@H]1CCS(=O)(=O)C1 1760182620 HFYQOJZQZRCKHH-NRFANRHFSA-N 475.578 2.341 30 10 JEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H]1CCOC[C@H]1OC)[C@H]1CCS(=O)(=O)C1 1760186368 MMVNTVZPDSMPLW-SESVDKBCSA-N 493.029 2.201 30 10 JEEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1C[C@](O)(c1ccccc1)C(F)(F)F 1760196156 LKSRILLJVASXKM-VXKWHMMOSA-N 462.472 2.453 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(c2ccc(F)cc2)CCOCC1 1760205457 BOJJPLDTSSRHDW-LJQANCHMSA-N 470.570 2.141 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1CCOCC1 1760487467 VAZSNQKVWQGHTM-GOSISDBHSA-N 465.645 2.157 30 10 JEEE C=CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1760507571 OULWQANJNZLLQJ-UHFFFAOYSA-N 450.503 2.419 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H](C)[C@@H]1CC 1760517462 MWVZRBZJEYFGHW-LPHOPBHVSA-N 460.604 2.122 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCCN(C(=O)c2ccccc2F)CC1 1760522713 BVXFFFNPOZHCAZ-UHFFFAOYSA-N 451.506 2.067 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1760526851 VHDCDBOEOCIIQC-IBGZPJMESA-N 455.559 2.242 30 10 JEEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 1760558932 FYBDZCKJXWFCOJ-IBGZPJMESA-N 496.703 2.264 30 10 JEEE C=CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(C(C)=O)C[C@H]1C 1760564223 SKYJIWVAYHZGRH-MRXNPFEDSA-N 477.660 2.214 30 10 JEEE CC(C)CN1CCC[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@](C)(C#N)C2)C1 1761114766 CGMCFOOSIBHFMC-CNNODRBYSA-N 465.668 2.386 30 10 JEEE CCOCc1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CC1CCS(=O)(=O)CC1 1767964775 GCOGUFZCLGKUBS-HXUWFJFHSA-N 459.572 2.089 30 10 JEEE CN(C)S(=O)(=O)c1ccccc1Cn1c([C@H]2CCOC2)nnc1N(CCC#N)CC1CC1 1768522011 CVNMSXADAKLLKN-IBGZPJMESA-N 458.588 2.211 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@](C(=O)ON2C(=O)c3ccccc3C2=O)(C(=O)OC(C)(C)C)C1 1772793192 KOWHSNIRWQBIMW-HSZRJFAPSA-N 476.482 2.089 30 10 JEEE C=CCOc1ccccc1[C@H]1C(C(=O)NCCCN2CCCC2=O)=C(N)Oc2c1c(C)nn2C 1864318077 PFIPGZHEBZVTPY-OAQYLSRUSA-N 465.554 2.117 30 10 JEEE C=CCn1cc(OCCCN2C(=O)c3ccccc3C2=O)c(=O)cc1CN(CCOC)CCOC 1870375912 RJZDLHMCOBITOV-UHFFFAOYSA-N 483.565 2.194 30 10 JEEE CCOc1ccc(CCc2nnc(SCC(N)=O)n2/N=C/c2ccc(O)cc2O)cc1OC 1874200310 VLEIXNUZYCRSPS-WYMPLXKRSA-N 471.539 2.341 30 10 JEEE COc1ccc(N2C[C@H](C(=O)N3CCC(Oc4ncccc4C#N)CC3)CC2=O)cc1OC 1891365521 ZJEIOVXSZQNJTE-QGZVFWFLSA-N 450.495 2.393 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1[C@@H]2CN(S(=O)(=O)c3cscc3B3OC(C)(C)C(C)(C)O3)C[C@@H]21 2255794418 LGKLSAGMSUMWTQ-VIKVFOODSA-N 470.422 2.191 30 10 JEEE CN(C(=O)c1coc(B2OC(C)(C)C(C)(C)O2)c1)[C@@]1(CNC(=O)OC(C)(C)C)CCOC1 2267011522 GXSTYADJAZRSHZ-JOCHJYFZSA-N 450.341 2.335 30 10 JEEE Cc1c(B2OC(C)(C)C(C)(C)O2)csc1C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O 2267104570 YQVSCCCXPWRFSD-HZPDHXFCSA-N 466.409 2.456 30 10 JEEE Cc1sc(C(=O)NC2(CO)CN(C(=O)OC(C)(C)C)C2)c(C)c1B1OC(C)(C)C(C)(C)O1 2267106104 VIXYAAGFOORPLZ-UHFFFAOYSA-N 466.409 2.376 30 10 JEEE CC1(C)OB(c2cnsc2C(=O)N2C[C@@H]3OCCN(Cc4ccccc4)[C@H]3C2)OC1(C)C 2267165025 ZGWYDHUFXYNWHZ-OALUTQOASA-N 455.389 2.168 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N=[S@]1(=O)CC[C@H](NC(=O)OC(C)(C)C)C1 2267268805 ZIUSRCNKCLQGDW-ZZQXMTQJSA-N 467.397 2.230 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)[C@@H](CO)C1 2267277323 NPRGNOKPOREOKN-HUUCEWRRSA-N 466.409 2.395 30 10 JEEE CC(C)(C)OC(=O)NCC(=O)NCC(=O)Nc1ccc(Cl)cc1B1OC(C)(C)C(C)(C)O1 2268651063 NAEAAQFTTCVXDQ-UHFFFAOYSA-N 467.759 2.219 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)sc1CN(C)C(=O)[C@H](CO)CNC(=O)OC(C)(C)C 2268714393 JOJKCWGNRUWFJV-HNNXBMFYSA-N 468.425 2.447 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CN(c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)CC[C@@H]1CO 2268997590 KITCKOCHWKPQIF-RHSMWYFYSA-N 451.348 2.232 30 10 JEEE COc1cc(CNC(=O)[C@H](C)ONC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2273756644 SLKLSTZLPWQWHB-AWEZNQCLSA-N 450.341 2.455 30 10 JEEE CC(C)(C)OC(=O)N1CCC(N(CC(N)=O)c2cccc(B3OC(C)(C)C(C)(C)O3)n2)CC1 2281489621 NXSZCKGAVVBSQU-UHFFFAOYSA-N 460.384 2.072 30 10 JEEE Cc1c(C(=O)N[C@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281796331 LEVGWEKGACQMIU-HOTGVXAUSA-N 462.400 2.451 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@]2(CCNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2281928179 KDZFXWQCMIRORP-CMJOXMDJSA-N 460.384 2.476 30 10 JEEE Cn1nc(C(=O)NC[C@H]2CCN(C(=O)OC(C)(C)C)C2(C)C)cc1B1OC(C)(C)C(C)(C)O1 2281960900 GIMHKWAAMNBIPX-OAHLLOKOSA-N 462.400 2.485 30 10 JEEE C[C@H]1C[C@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)CN(C(=O)OC(C)(C)C)C1 2281971196 IJXYYNCRMCTHGE-JKSUJKDBSA-N 462.400 2.342 30 10 JEEE Cc1cc(C(=O)N2CCN(C)C[C@@H]2CNC(=O)OC(C)(C)C)oc1B1OC(C)(C)C(C)(C)O1 2281979738 FUJUNEYODFJAIJ-INIZCTEOSA-N 463.384 2.168 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2CCN(C(=O)OC(C)(C)C)C23CC3)n1 2282046364 KIKAURTWQJYOEO-HNNXBMFYSA-N 460.384 2.239 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)[C@H]2COC[C@H]21 2282182326 QSQNFYAKFOETQK-RBUKOAKNSA-N 458.364 2.446 30 10 JEEE CCn1cc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2SC)nc1B1OC(C)(C)C(C)(C)O1 2282540824 OZQMQCPTRPPODU-ZBFHGGJFSA-N 480.440 2.283 30 10 JEEE CC1(C)OB(c2cnc(C(=O)N[C@@H]3CN(Cc4ccccc4)C[C@H]3C(F)F)nc2)OC1(C)C 2282615568 PTTJAUFJEVJHCR-QZTJIDSGSA-N 458.318 2.271 30 10 JEEE CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)NCCN2C(=O)[C@@H]1C[C@H]1B1OC(C)(C)C(C)(C)O1 2282637039 UBMZQODLARPCCV-HZPDHXFCSA-N 463.384 2.197 30 10 JEEE Cc1ccc(S(=O)(=O)N2C[C@@H]3[C@H](C2)[C@@H]3NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2282837453 UVWDXIJQFBAEBW-HGKCTWBKSA-N 478.420 2.438 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NCCCCCCNC(=O)OC(C)(C)C)n1 2282838488 PBMIMWIOSDZWSF-UHFFFAOYSA-N 486.444 2.083 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H]2CN(C(=O)c3nccnc3B3OC(C)(C)C(C)(C)O3)CC[C@H]21 2283068887 MILAXBFVVFEUSG-HZPDHXFCSA-N 458.368 2.247 30 10 JEEE CCc1cc(B2OC(C)(C)C(C)(C)O2)ccc1NC(=O)CNC(=O)CNC(=O)OC(C)(C)C 2283956878 MQZYGIJQGPRECA-UHFFFAOYSA-N 461.368 2.128 30 10 JEEE Cc1cc(CNC(=O)[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2289565239 FSXOTIYEVXHSKH-XMMPIXPASA-N 460.380 2.282 30 10 JEEE COc1ccc([C@@H]2C(=C(O)c3ccc(OC)c(OC)c3)C(=O)C(=O)N2CCN2CCOCC2)cc1 2296124471 FBXIDMWZAUCTNR-HSZRJFAPSA-N 482.533 2.466 30 10 JEEE COc1ccc(OCc2nnc(SCC(N)=O)n2N=Cc2cccc(OC)c2OC)cc1 2328369802 IAKYPGCEXSKXCX-UHFFFAOYSA-N 457.512 2.343 30 10 JEEE COc1cc(C=Nn2c(SCC(N)=O)nnc2[C@@H]2CCCO2)cc(Br)c1O 2330943674 DKLPOVKILOXJRN-NSHDSACASA-N 456.322 2.066 30 10 JEEE COc1nc(N2CC[C@@H](CO)[C@@H](NC(=O)OC(C)(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2365346592 WEXLCXLQKCWGJD-RDJZCZTQSA-N 463.384 2.101 30 10 JEEE COc1ccc(OC)c(-c2nnc3ccc(OCCNC(=O)COc4ccc(C#N)cc4)nn23)c1 13706856 BKGPTZNXBWXCLK-UHFFFAOYSA-N 474.477 2.254 30 10 JEEE N#Cc1cccnc1N1CCN(Cn2nc(N3CCOCC3)n(Cc3ccccc3)c2=S)CC1 105325635 SLBPVTJOGVNLHX-UHFFFAOYSA-N 476.610 2.345 30 10 JEEE C=CCN1C(=O)C(=NNc2nc3c(c(=O)nc(O)n3C)n2C/C=C(\C)Cl)c2ccccc21 254308351 KAHJPHMOCXHUMP-KNMSAWONSA-N 453.890 2.327 30 10 JEEE C=CCc1cc([N+](=O)[O-])ccc1OCC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 513616475 BFAFZLLMJQEHAP-UHFFFAOYSA-N 463.487 2.374 30 10 JEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(OCCCC#N)c2)c(=O)n1Cc1ccccc1 608855297 HQLALWPDHYVNQQ-UHFFFAOYSA-N 484.581 2.446 30 10 JEEE C=CCNC(=O)CN1CCN(C(=O)C2(c3ccccc3)CCN(C(=O)OC(C)(C)C)CC2)CC1 727120841 MONIDEGBSWZMTA-UHFFFAOYSA-N 470.614 2.402 30 10 JEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N(CC(=O)OC)C1CCOCC1 1126596201 GNCBSCZDFIMGRF-UHFFFAOYSA-N 455.305 2.279 30 10 JEEE COc1cc(C#N)ccc1C(=O)NCCc1ccc(OCCN2CCN(C(C)=O)CC2)cc1 1143463878 AUURAQFLGCPJGK-UHFFFAOYSA-N 450.539 2.082 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(N2CCOCC2)c(F)c1 1286271838 WCWPCELGLHAQDZ-QGZVFWFLSA-N 463.517 2.407 30 10 JEEE C#CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)OC)CC1 1286322614 GDZOLIYTCXMXPA-SFHVURJKSA-N 476.578 2.278 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1Cc1cccc(Br)n1)[C@@H]1CCS(=O)(=O)C1 1286386989 LRVYZHHCKZTFMU-MRXNPFEDSA-N 489.399 2.116 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1CCN(C(C)=O)CC1 1286422368 LLUNMFOGRFGHIA-UHFFFAOYSA-N 495.653 2.268 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3OCC)n2C[C@]2(N(C)C)CCSC2)CC1 1286484676 VABLVWBNOCUWHO-RUZDIDTESA-N 484.670 2.448 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@H]2COCCO2)CC1 1286484961 SBMHMYXUFVZHDZ-QFIPXVFZSA-N 453.587 2.325 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(OC(F)F)c(F)c2)CC1 1286485404 KGOVOOSHZZKDFC-UHFFFAOYSA-N 492.502 2.171 30 10 JEEE C=C(Br)Cn1c(N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)nnc1[C@@]1(OC(C)C)CCOC1 1286548140 UHXMVCPGUZSIEU-IIDMSEBBSA-N 479.441 2.485 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1286553428 QCKSMTZBPKOQOQ-LUYSREMJSA-N 450.580 2.368 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1286556053 AZCULHMMQVOGKJ-IPJJNNNSSA-N 474.631 2.011 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2cc(F)cc(F)c2C1 1286592395 CFXPZJGIPWPEJI-GOSISDBHSA-N 453.515 2.028 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ccc(F)cc2C)C1 1286808248 BBNNFDHBTHEUCK-RTWAWAEBSA-N 493.605 2.083 30 10 JEEE Cc1cnn(CCn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CCO[C@H](C#N)C2)c1 1290286872 DMKUSLCUAJEWQT-MSOLQXFVSA-N 456.551 2.284 30 10 JEEE C[C@H]1COCCN1CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1291306494 AGTVKHDOGWJDTA-MAUKXSAKSA-N 450.465 2.305 30 10 JEEE CC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C[C@H]2CCCO2)CC1)OC 1292250438 BIMIONUOJKLKCA-RBBKRZOGSA-N 454.575 2.455 30 10 JEEE COC(=O)[C@H](CNC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)Cc1ccc(O)cc1 1292984367 BUAAPDWQCJQCFP-IRXDYDNUSA-N 455.898 2.418 30 10 JEEE CCOC(C)(C)Cn1c(N2CCN(c3cc(C#N)ccn3)CC2)nnc1[C@@]1(OCC)CCOC1 1296469313 BRGZJRNBMOQAMO-XMMPIXPASA-N 469.590 2.339 30 10 JEEE C#CCCCCn1c(N(C)[C@H]2CCS(=O)(=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1300373423 YOXAGIBQLGTDRJ-KSZLIROESA-N 465.620 2.476 30 10 JEEE C#CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1CCN/C(O)=C1/N=CC=CC1=O 1300439813 IDVNIBTWEROZTL-ZZEZOPTASA-N 485.342 2.312 30 10 JEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1CC1([S@](C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1300499418 RHZAMNHWHQXLPN-JJCDCTGGSA-N 481.043 2.060 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1CC(=O)NC1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1300499465 SDKUALPMDSTAQP-HXUWFJFHSA-N 487.601 2.084 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@H]1CCC=CO1)[C@H]1CCS(=O)(=O)C1 1300499952 ZVHNATZPRKHPIH-DLBZAZTESA-N 462.522 2.467 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@](O)(c1ccccc1)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1300506592 VVJYQRDGTKTXIM-UEXGIBASSA-N 498.527 2.206 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccco1)N1CCCCC1 1300557218 QXELHEJGMLWHKI-UXHICEINSA-N 472.615 2.171 30 10 JEEE C#CCN(CC#CC)c1nnc(Cc2ccsc2)n1Cc1cccc(S(=O)(=O)NC)c1 1300587617 RRDPJEMKYFQQOW-UHFFFAOYSA-N 453.593 2.350 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC1(O)CCS(=O)(=O)CC1 1300652911 FPCHDJUSWRGFHG-QGZVFWFLSA-N 497.017 2.097 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@H](C)N2CCN(CC)CC2)CC1 1300684293 ZHRAOICUJIMDAO-YADHBBJMSA-N 483.636 2.338 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CC(C)(C)CN2CCCC2)CC1 1300726241 JIMOHTGDVBIBRG-UHFFFAOYSA-N 463.630 2.352 30 10 JEEE C#CCSCCn1c(Cc2ccccc2C)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1300765223 BRYHAINVLMRAPP-IBGZPJMESA-N 461.657 2.309 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(OCCC(C)C)CC1 1300952074 HXQAGAQOMWLHLM-LJQANCHMSA-N 455.625 2.219 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(N(C)C)cc2C)CC1 1301123893 FPWYMKHIFYLXAI-JOCHJYFZSA-N 488.658 2.436 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(OC(C)(C)C)nc2)C1 1301538499 IFTXMPNRQDFMPM-WMZOPIPTSA-N 478.619 2.290 30 10 JEEE CC(=O)NCC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2([S@@](C)=O)CCC2)CC1 1301878748 FXSXMLFPCXSMRP-JGCGQSQUSA-N 454.600 2.470 30 10 JEEE CCCCn1cc(Cn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@H](C#N)C2)c(C)n1 1306719885 DIUCPTAROSOFQT-GOSISDBHSA-N 468.587 2.352 30 10 JEEE CCn1cc([C@@H]2CN(c3nnc(COc4ccc(C#N)cc4)n3CC(C)(C)O)CCO2)cn1 1313835675 GWZZQZYSJDYYAY-FQEVSTJZSA-N 451.531 2.294 30 10 JEEE COCCN1C[C@H](Cn2c(CCCc3ccccc3)nnc2N2CC[C@@](F)(C#N)C2)CC1=O 1316120961 FCCPMALZBOAADO-HYBUGGRVSA-N 454.550 2.390 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(=O)N(C)C1CCCCC1 1358885533 LYAXWBDJPCIHDJ-QGZVFWFLSA-N 461.570 2.441 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(Nc2cc(OCC)ncn2)CC1 1359296573 NHNLRVNGXJZKNS-UHFFFAOYSA-N 487.568 2.389 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 1359299630 KDVVMVOVYONXOG-CZTZKLFOSA-N 470.622 2.075 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 1359330825 DSQHINJLNFETQP-KRWDZBQOSA-N 473.628 2.281 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1359331133 OIJPYNXKGXCRQP-LJQANCHMSA-N 474.631 2.238 30 10 JEEE CC(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C(N)=O)CC1 1359759437 HZPLYUPTQPBCRV-DENIHFKCSA-N 452.559 2.492 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2CCCc2cnn(C)n2)c1 1507552088 KCSNLOHOVTVIKR-UHFFFAOYSA-N 469.553 2.081 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1ccc(OC)c(OCC)c1)[C@@H]1CCS(=O)(=O)C1 1507630700 FVYJLRCWXVRABS-GOSISDBHSA-N 469.567 2.356 30 10 JEEE C#CCN1CCN(c2nnc(COCC)n2CCCNc2ccc(C(F)(F)F)cn2)CC1 1507733257 REWAYBAJHTULDT-UHFFFAOYSA-N 451.497 2.486 30 10 JEEE C=CCn1c(-c2ccc3ccccc3n2)nnc1N1CCN([C@H](C)C(=O)NCCCOC)CC1 1508052169 UUXIEBUAZJIPIV-LJQANCHMSA-N 463.586 2.343 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(CC)C1CCCC1 1508135301 HLWYIGLIFOSTDP-UHFFFAOYSA-N 456.576 2.291 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N(C)Cc1cscn1 1508146573 YXADYUPNJQRBOP-GOSISDBHSA-N 461.569 2.484 30 10 JEEE C=CCSCCn1c(Cc2ccncc2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1508163266 ALMXEPAZKQWVEE-UHFFFAOYSA-N 497.669 2.123 30 10 JEEE CCCNC(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1515071789 FMPDGKIIDWBFLK-JOCHJYFZSA-N 465.602 2.282 30 10 JEEE C=CCN1C(=O)C(=O)N(CC(=O)NCCN(C(=O)OC(C)(C)C)C2CCCCCC2)C1=O 1518022358 FJRXYSGEPKSJPD-UHFFFAOYSA-N 450.536 2.039 30 10 JEEE COCC[C@](C)(O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1518959547 HZEOFHQIXGOZMT-QHCPKHFHSA-N 453.522 2.398 30 10 JEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 1539093848 GNGLVAQOYBIKMP-HUUCEWRRSA-N 473.525 2.359 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCSCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1539223258 ZYSPOYVZVWSSHR-LSDHHAIUSA-N 466.551 2.442 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1CCc1ccccn1)[C@@H]1CCS(=O)(=O)C1 1539224876 JLYJHXXYWQDSIP-OAQYLSRUSA-N 465.579 2.142 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCOc1cc(C)cc(C)c1)[C@H]1CCS(=O)(=O)C1 1539231560 TYADMGLPWWFTCD-PZJWPPBQSA-N 458.584 2.452 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H]1CN(CC(C)C)CCO1 1539299383 ITZFYYZGXKLNEB-WIOPSUGQSA-N 457.619 2.138 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN(C)c1ccccc1F 1539322985 BVLNFKZVVPOXRL-IBGZPJMESA-N 457.575 2.309 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(OCC)cc3)n2C[C@]2(C)COCCO2)CC1 1539430175 HLBOVVIWXZEASK-CJFMBICVSA-N 469.586 2.378 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@H](C2CC2)N(C)C)CC1 1539488064 FWVHQTQAMDKUJJ-QHCPKHFHSA-N 464.614 2.472 30 10 JEEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1539498998 AJRIQBVCYFKWSE-PWRODBHTSA-N 489.667 2.281 30 10 JEEE C#CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CC#C)CC#CC 1539517348 MJPZTJZXLGSVFD-LJQANCHMSA-N 457.600 2.416 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 1540867637 BZGVTIBPANOOEU-UHFFFAOYSA-N 497.619 2.203 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1540872238 HQDCGFVUEWNESL-UHFFFAOYSA-N 484.561 2.017 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1540909175 ZZOXUSKTZLUATE-PKOBYXMFSA-N 463.579 2.270 30 10 JEEE CC[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)N2CCSCC2)C1 1546690054 FMEQORIKSBQBJW-KRWDZBQOSA-N 460.629 2.432 30 10 JEEE COc1ccc(CN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)CC2CC2)c(OC)c1 1559788341 BWQWHGMCVPSAPX-UHFFFAOYSA-N 453.543 2.433 30 10 JEEE C#CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1587847524 MRDNHTVYCZKJKG-INIZCTEOSA-N 454.556 2.411 30 10 JEEE C#CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN2C(=O)OC[C@H]2C1 1587855794 BIBFTFDYJBZXOJ-GOSISDBHSA-N 458.563 2.447 30 10 JEEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1587856863 SYNMSSMMJBKFMA-YPAWHYETSA-N 456.635 2.212 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@@H](C)CN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1588059410 NNLONTKCQLSLCX-PZJWPPBQSA-N 473.618 2.367 30 10 JEEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1CCN(Cc2ccccc2)CC1 1588266951 YDCFICMTKVVASE-IBGZPJMESA-N 458.632 2.260 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H]2CCCCN2C2CC2)CC1 1588884577 FTSVRVZCUMQWEG-JOCHJYFZSA-N 483.661 2.179 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC=C(c2ccc(O)cc2)CC1 1593884061 BEQIWWXMFUCNPS-IBGZPJMESA-N 479.990 2.363 30 10 JEEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)NCCCOC(C)C)CC1 1593885221 MEHLWWLZCXZTNU-SFHVURJKSA-N 488.054 2.080 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1OCC[C@H]1C 1595239256 HZGLHTMUPUIBRB-CEMLEFRQSA-N 489.642 2.271 30 10 JEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](Oc2ccccc2Cl)C1 1595405612 UBRUGMOVNCKONB-YJBOKZPZSA-N 467.979 2.108 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(CC(C)C)C(=O)C1 1595475476 CSUCNCINMGWPDS-KRWDZBQOSA-N 458.538 2.164 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(C)(C)CN2CCCC2)C1 1595723024 QAIPXZIGHVGIMP-RBUKOAKNSA-N 451.637 2.084 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCNC(=O)[C@H]1CC 1595765994 KJIIWNYOZPQLBV-NVXWUHKLSA-N 477.656 2.447 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CC[C@@H](CN2CCCCC2)C1 1595812267 QKKREPPFBMAHOG-NRFANRHFSA-N 458.632 2.177 30 10 JEEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)N2CCOCC2)C[C@@H](C)O1 1620318367 ASDNBYCLRFQNSL-KDURUIRLSA-N 454.575 2.453 30 10 JEEE C#C[C@@H](C)N(C)C(=O)c1n[nH]c(C2CN(C(=O)OC(C)(C)C)C2)c1I 1626459122 RNVMRMMBLXENKW-SNVBAGLBSA-N 458.300 2.442 30 10 JEEE C[C@@H](CC(=O)N(C)Cc1cc(Br)cn1C)/N=C1/NS(=O)(=O)c2ccccc21 1630594273 AJGCQCGOJJBHRW-LBPRGKRZSA-N 453.362 2.263 30 10 JEEE C#CC[C@@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)OCC1c2ccccc2-c2ccccc21 1637989561 IVSOBGUCQHEFNV-XDHUDOTRSA-N 458.518 2.360 30 10 JEEE N#Cc1cc(Cl)cc(OCC(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)c1 1641172649 GQDPNUQKCVDSRS-UHFFFAOYSA-N 455.870 2.402 30 10 JEEE Cc1cc(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc(N2CCN(C(C)C)CC2)c1 1641460812 ANXVWRVVZZBGMH-UHFFFAOYSA-N 455.584 2.314 30 10 JEEE C=CCN(C(=O)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1)[C@@H]1CCS(=O)(=O)C1 1666921657 WFJAXOVDJCXHQM-GOSISDBHSA-N 455.602 2.458 30 10 JEEE C=CCS(=O)(=O)CCNC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 1679366179 YJSKDBBTSIKEPJ-UHFFFAOYSA-N 450.439 2.046 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC1(S(C)(=O)=O)CC1 1689848357 TXTGGSYQYZHUDM-MRXNPFEDSA-N 468.583 2.100 30 10 JEEE C#CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1689881363 OIDMLSQTYQIIOP-UHFFFAOYSA-N 489.989 2.437 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C/C=C\c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1689978282 RDPVZNJWYQIQKO-NHHWLVAYSA-N 476.562 2.266 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1nc(C(F)(F)F)cs1)[C@H]1CCS(=O)(=O)C1 1689985895 DVFMETXHACQFQY-ZDUSSCGKSA-N 482.513 2.490 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCCOC1CCCC1)[C@H]1CCS(=O)(=O)C1 1689991303 ZMJLYSLCMBIWHV-OALUTQOASA-N 450.605 2.148 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(Br)c2)n1CCCn1cc(CO)nn1 1690034642 NYBMSWGEXYLYMR-UHFFFAOYSA-N 468.359 2.345 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1CCN1CCOC(C)(C)C1 1690095495 RTAYTXSKVPVXLQ-UHFFFAOYSA-N 465.396 2.233 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2CCCn2cccn2)CC1 1690152296 GMXVGPZISHHXOQ-UHFFFAOYSA-N 465.533 2.249 30 10 JEEE C=CCCOCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(C(=O)NC)CC1 1690509120 XJAJMBFRHTTYMG-IBGZPJMESA-N 491.637 2.447 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(C)n(C)c1=O 1690567806 PVPRGRBGUZQXLF-KRWDZBQOSA-N 488.589 2.275 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1c2ccccc2C[C@H]1C 1690622569 SFIMAJRXTTYULO-QUCCMNQESA-N 459.616 2.270 30 10 JEEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1690660757 NXZCUEADDFYVBV-NHCUHLMSSA-N 486.642 2.127 30 10 JEEE C=CCNC(=O)Cn1c(N2CCCO[C@@H](c3ccccc3)C2)nnc1[C@@]1(OCC)CCOC1 1690677033 LCRDFTKNRPATDZ-HYBUGGRVSA-N 455.559 2.200 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCC(C(=O)N2CCCC2)CC1 1690725401 ORSRYQHGCPGWGZ-UHFFFAOYSA-N 489.617 2.448 30 10 JEEE Cc1ccccc1-c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1693248645 HSLNBQJETTXAHG-SJLPKXTDSA-N 450.465 2.245 30 10 JEEE COc1cc(OC)cc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCCN2CCC[C@H]2C(=O)N(C)C)c1 1697302418 BSORMYOHIGUNCB-OFVILXPXSA-N 499.591 2.347 30 10 JEEE N#CCC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCN(CC(F)(F)F)C2)CC1 1698491471 COEHTVCFABYDQQ-SJORKVTESA-N 474.553 2.194 30 10 JEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCc2nccn2C1 1705552141 VWFGJCOBDUSIJV-ZWKOTPCHSA-N 455.563 2.115 30 10 JEEE C#CCN(c1nnc([C@@H](C)OCCOC)n1Cc1ccc(C)cc1C)[C@H]1CCS(=O)(=O)C1 1705561294 SGFURPWUCMGLTH-CTNGQTDRSA-N 460.600 2.294 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccc(OCC=C)cc1)[C@@H]1CCS(=O)(=O)C1 1705572163 SHQVALRNMJWOPW-TZIWHRDSSA-N 456.568 2.369 30 10 JEEE C#CCN(CCOC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@]1(O)CCO[C@@H]1C 1705629063 WKRNJGUEBHETLP-HOYKHHGWSA-N 477.606 2.019 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)s3)n2CCCn2ccnn2)CC1 1705636072 WZHHGBDSQBDOKE-UHFFFAOYSA-N 461.393 2.206 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CC[C@@H]2COCCO2)CC1 1705636354 GTGPEXCBBQQUIG-OAQYLSRUSA-N 469.586 2.302 30 10 JEEE C=C(C)COCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1705734332 LIUWXOFREMBYTI-SFHVURJKSA-N 472.615 2.500 30 10 JEEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2ccsc2)CC1 1705800516 ZUXGKUPPXHNXGS-MRXNPFEDSA-N 466.633 2.269 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(Cc2c(CC)nn(C)c2Cl)CC1 1705902417 DMNHNCJMKDJXSX-LJQANCHMSA-N 491.040 2.093 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2CC(F)(F)C2(OC)CCOCC2)C1 1705922454 NFQDOZJIOKPREW-MRXNPFEDSA-N 450.490 2.347 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1705933379 FGJFKOQMSKAMHY-ZWKOTPCHSA-N 477.631 2.482 30 10 JEEE CC(=O)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2C[C@H](C)O[C@H](C)C2)CC1 1705976914 DBZBGZZNDIMMRG-BGYRXZFFSA-N 465.602 2.375 30 10 JEEE CCCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1709849242 AWYDSMOOCHSZJM-FQEVSTJZSA-N 487.612 2.356 30 10 JEEE COC[C@@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1712129853 CRWMAPINUUQUIM-KRWDZBQOSA-N 459.558 2.339 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCSCC=C)[C@H]1CCS(=O)(=O)C1 1722358336 AKBSPXLDYHNDIA-SFHVURJKSA-N 461.569 2.399 30 10 JEEE C#CCN(c1nnc(-c2cccc3cccnc23)n1CCOCC(F)F)[C@@H]1CCS(=O)(=O)C1 1722364298 YTEIAFAOYUDVNZ-QGZVFWFLSA-N 475.521 2.402 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CC(C)(C)NC(=O)OC(C)(C)C)CC1 1722429208 IPXLDPNHHRFMLS-UHFFFAOYSA-N 475.638 2.255 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC[S@@](=O)CC)CC1 1722443638 XZWJJVAJHAIAJM-HKBQPEDESA-N 465.982 2.472 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2CC[C@H](N2CCOCC2)C(F)(F)F)CC1 1722445422 XPIBTNMDEAZCRZ-HKUYNNGSSA-N 484.567 2.411 30 10 JEEE C#CCSCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)C[C@H]1CCOC1 1722452837 SSFJSGVENJTDGL-QGZVFWFLSA-N 462.645 2.386 30 10 JEEE C=C(Br)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(C(=O)NC)CC1 1722482604 BWRHMNZOTJEGII-UHFFFAOYSA-N 486.374 2.063 30 10 JEEE C=C(Cl)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(CCOC)[C@H](C)C1 1722546094 GKHKYSKNMZHLKC-MRXNPFEDSA-N 482.054 2.456 30 10 JEEE C=C(Cl)Cn1c(N2CCN(CC(=O)N[C@H](C)CC)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1722558754 XIFUSCFIDHTKBS-XMSQKQJNSA-N 469.030 2.108 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(Cl)c1C 1722681789 SLFUJTPKYDGLMC-IBGZPJMESA-N 484.022 2.260 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1722723586 AFIGVGJRTGAPKN-LJQANCHMSA-N 497.625 2.241 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1C[C@H](C1CC1)N(C)C 1723925155 HHWSVTCDKPLWCX-HTAPYJJXSA-N 483.642 2.394 30 10 JEEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N2CCOCC2)C[C@H](C(F)(F)F)O1 1726670553 FRKQRCOYCQUCMW-CRAIPNDOSA-N 478.475 2.222 30 10 JEEE COCC[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1730624352 DFKRAOSSLRLNGQ-JOCHJYFZSA-N 494.518 2.499 30 10 JEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2OCC)CC1 1740589721 ARFSZIYULVGWFV-LJQANCHMSA-N 457.600 2.319 30 10 JEEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1740591355 ONUWHIRTGCUDID-LEWJYISDSA-N 488.633 2.301 30 10 JEEE C#CCN(C)c1nnc(COc2ccc(F)cc2)n1CC1(N2CCOCC2)CC(OCC)C1 1740614036 CRGAQEVSCICDAO-UHFFFAOYSA-N 457.550 2.336 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCO[C@@H]1CCCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1740624693 KZKLVIMDJFKCKF-BVYCBKJFSA-N 488.658 2.362 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccc(F)cc2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1740643523 JTOWODOXIUQSFM-SIKLNZKXSA-N 485.585 2.273 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC2([S@@](C)=O)CC2)CC1 1740708392 NYYARGCUPWJQPZ-UUWRZZSWSA-N 483.638 2.351 30 10 JEEE C#CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1740713910 NLFNVJWCMIOSRJ-MJGOQNOKSA-N 485.610 2.408 30 10 JEEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1740747408 IPFHCKKFXVRPAF-INIZCTEOSA-N 463.384 2.359 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(OCC(N)=O)CC1 1740752953 CYEXTIQXPHNQGK-UWJYYQICSA-N 470.530 2.305 30 10 JEEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@@H](SCC)C1 1740792016 DFJJJWJLGINTOX-MOPGFXCFSA-N 487.692 2.316 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCO[C@H]1C(C)C)C1CC1 1740910937 UVBJECTUIANSMA-IHPCNDPISA-N 467.636 2.217 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1740956605 OLGDBPFCUNFJDK-UHFFFAOYSA-N 481.022 2.151 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H]2CCS(=O)(=O)C2)C1 1740975076 RTYCUIPFPFCGCX-GDBMZVCRSA-N 484.420 2.262 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cccc(C(=O)NC)c1 1748670832 CLDIECCPQMJNMW-YLJYHZDGSA-N 482.585 2.452 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3csc(N4CCOCC4)n3)n2CCOCC)c1 1748692247 FCUSYTOBAMZUJD-UHFFFAOYSA-N 495.609 2.331 30 10 JEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@H](C)Cc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1748802943 UKHGMLJSIUPCBS-CTNGQTDRSA-N 499.637 2.028 30 10 JEEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1CCC(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 1748805522 TUZWAZBJCRZCTE-NHCUHLMSSA-N 471.627 2.361 30 10 JEEE C#CCN(c1nnc([C@@H](CC)c2ccccc2)n1CCC(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 1748805523 TUZWAZBJCRZCTE-RTWAWAEBSA-N 471.627 2.361 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@](O)(c2ccccc2)C(F)(F)F)CC1 1748977784 CUJFMXSENPCWHM-PKTZIBPZSA-N 493.530 2.136 30 10 JEEE C#CCN1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2C[C@@H](OC)C(C)(C)C)CC1 1748989947 RUKFBKZGGBURFE-OAQYLSRUSA-N 466.634 2.268 30 10 JEEE C#CCSCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCN(S(C)(=O)=O)CC1 1749023328 RHMIWXOXQHSPQI-LJQANCHMSA-N 477.656 2.483 30 10 JEEE COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCO[C@@H]2C(C)C)CC1 1749245247 DFFVLGJVIXZYPZ-RBBKRZOGSA-N 452.559 2.173 30 10 JEEE C=C(Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(F)(F)C1)c1ccccc1 1749246124 GUZBFZSNORVWNK-QGZVFWFLSA-N 453.515 2.170 30 10 JEEE COC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N2CCCCC2=O)CC1)OC 1749326480 ALKCOHXQMUGREF-OAQYLSRUSA-N 452.559 2.459 30 10 JEEE C=CC[C@@H](Cn1c(-c2cnccn2)nnc1N1CCN(CC(=O)NCC)CC1)c1ccccc1 1749383349 VVDGNUJSZLDWFH-NRFANRHFSA-N 460.586 2.353 30 10 JEEE C=CCCOCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](C(N)=O)C1 1749457110 ODTYBYWOIKLJQL-MSOLQXFVSA-N 462.595 2.297 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C 1749489135 RMZYXTZKCQABJG-BBWFWOEESA-N 453.609 2.448 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc3cccnc23)nnc1N(C)CC(=O)NC(C)(C)C 1749727110 NAYYMSARMAGAOM-UHFFFAOYSA-N 470.599 2.445 30 10 JEEE C=CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCO[C@@H](C(=O)NC)C1 1749747046 TVHNVLRNTBBDIZ-QGZVFWFLSA-N 451.980 2.478 30 10 JEEE C#CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(CS(C)(=O)=O)CC1 1760172405 PWZOEIQRIKOYTH-QGZVFWFLSA-N 465.620 2.287 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1CC(C)(C)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1760193267 XJKIUSHDWNJTQI-DLBZAZTESA-N 481.619 2.060 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H](C)N1CCC[C@@H](C)C1 1760200407 GZMZFHRLWBWJNF-UXHICEINSA-N 457.582 2.385 30 10 JEEE C#CCN1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2C[C@](C)(O)[C@@H](C)CC)CC1 1760254555 AWWAGUGZPRAXBD-UUOWRZLLSA-N 487.674 2.099 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCOc2ccc(F)c(F)c2)CC1 1760255822 ASDNCFUGAOFGBN-XMMPIXPASA-N 475.540 2.431 30 10 JEEE C#CCN1CCN(c2nnc(CC(C)(C)C)n2CCN2CCN(Cc3ccccc3)CC2)CC1 1760260746 AIUKOPSYJSQTPR-UHFFFAOYSA-N 463.674 2.440 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nc(C(C)(C)C)cs1 1760464922 RXCIBSDIHLBWQJ-AWEZNQCLSA-N 454.622 2.036 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(CC(F)F)CC1 1760516511 PGZUBNZOPZKWFW-HNNXBMFYSA-N 452.481 2.247 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)NC(CC)CC)nnc2N2CCN(C(=O)NC)CC2)cc1 1760529731 GAMIJKMIKCNNLN-UHFFFAOYSA-N 469.590 2.271 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@H]2CCN(CC)C2)C1 1760540007 ZFTNYWZZZGDGDW-PZJWPPBQSA-N 488.658 2.319 30 10 JEEE CC(C)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCO[C@@H]2C)[C@@H](C)C1=O 1761120718 DDYQJDRIQJHXPQ-HOOSLVGPSA-N 452.559 2.050 30 10 JEEE CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2ccnc2C)CC1 1763949113 FDLNUKGXHUYZNS-FQEVSTJZSA-N 489.628 2.449 30 10 JEEE CO[C@@H](O)C(=O)[C@@]12OC(C)(C)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]12C 1775963356 PWLCESSADNLVMG-RTMAEOJASA-N 464.530 2.391 30 10 JEEE CCN1C(=O)COc2ccc(-c3nn(-c4ccc(OC)c(OC)c4)cc3/C=N\NC(N)=S)cc21 1857807718 XGBPOTYIUGDZBW-GATIEOLUSA-N 480.550 2.469 30 10 JEEE C=CCN(CC=C)C(=O)[C@H](CSCc1ccccc1)NC(=O)C[C@@H]1CCS(=O)(=O)C1 1868591667 PMDKTAWXWDORCU-PMACEKPBSA-N 450.626 2.430 30 10 JEEE CCN(CC)CCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CN1CCN(CCO)CC1 1870349314 IPSWRJZBOMEWFT-UHFFFAOYSA-N 481.641 2.141 30 10 JEEE C=C(CS(=O)(=O)N1C[C@H]2CC[C@H]1[C@H](NC(=O)C(F)(F)F)C2)B1OC(C)(C)C(C)(C)O1 2255793976 FVXPMBMGRGTYMR-MJBXVCDLSA-N 452.304 2.035 30 10 JEEE CC(C)(C)OC(=O)NC1[C@H]2CN(S(=O)(=O)c3cscc3B3OC(C)(C)C(C)(C)O3)C[C@H]12 2255794417 LGKLSAGMSUMWTQ-STQMWFEESA-N 470.422 2.191 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)s1 2256617593 KNVNRYKHKKIUGW-UKRRQHHQSA-N 452.382 2.034 30 10 JEEE CC1(C)OB(c2nccnc2C(=O)N2CCC[C@@H](NC(=O)OCc3ccccc3)C2)OC1(C)C 2264011227 PLGKLAIWBNYNQF-GOSISDBHSA-N 466.347 2.307 30 10 JEEE CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1CNC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2267092983 PZCTYOWIBOTLFB-LBPRGKRZSA-N 456.299 2.083 30 10 JEEE CCc1nn(C)c(C(=O)N[C@@H](C)CCNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267141282 WMNIRIWNFOYBFZ-AWEZNQCLSA-N 450.389 2.315 30 10 JEEE C[C@H]1CN(S(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)CCN1Cc1ccccc1 2267412900 SSAAQDGXNSFRPG-KRWDZBQOSA-N 477.461 2.478 30 10 JEEE CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2267527204 CXNQKCKTYNCLFH-INIZCTEOSA-N 465.425 2.328 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CCC(OCc2ccccc2)CC1 2267710366 UHDJYHYKVMRTOU-UHFFFAOYSA-N 461.393 2.089 30 10 JEEE COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)O 2268641651 BXTCFFDWSHGTTD-GUYCJALGSA-N 450.341 2.207 30 10 JEEE CO[C@@H](C)[C@@H](CC(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1)NC(=O)OC(C)(C)C 2268649354 IQMNMTGWYRPMSA-UONOGXRCSA-N 469.413 2.377 30 10 JEEE C[C@H](OCc1ccccc1)[C@@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(=O)O 2269037321 QGDXZWVISIAYIW-KBXCAEBGSA-N 481.401 2.384 30 10 JEEE Cc1cnc(C(=O)NCCN(C[C@H](C)O)C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2281958167 RHYDROMWOCLOAQ-INIZCTEOSA-N 463.384 2.037 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@H](C)N(C(=O)OC(C)(C)C)CC1 2282001413 AZXWXLQQYSXDOT-HNNXBMFYSA-N 462.400 2.499 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@]2(CCN(C(=O)c3sncc3B3OC(C)(C)C(C)(C)O3)C2)C1 2282020630 AQAXCEBWJPQSCY-QFIPXVFZSA-N 479.408 2.294 30 10 JEEE CCn1cc(C(=O)N[C@@H]2C[C@@H]3[C@@H]2CCN3C(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2282039250 SCQGYJAXJXSLEZ-BFYDXBDKSA-N 460.384 2.330 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2[C@H]3CCC[C@@H]2CN(C(=O)OC(C)(C)C)C3)n1 2282049364 YFOATSJQKWZMPW-IYBDPMFKSA-N 460.384 2.333 30 10 JEEE C[C@H](O)CN(CCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1F)C(=O)OC(C)(C)C 2282139783 XMONWGKFTNIMBD-HNNXBMFYSA-N 466.359 2.473 30 10 JEEE COC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282190958 TYSSIHFDAHPLSZ-SFHVURJKSA-N 461.368 2.089 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@]2(NS(=O)(=O)Cc2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282501833 CGICUDVOERDKQG-HXOBKFHXSA-N 478.420 2.415 30 10 JEEE C[C@@H](NC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1)C1(O)CCN(C(=O)OC(C)(C)C)CC1 2282519040 IJOZFHOAKZQLLY-CQSZACIVSA-N 481.424 2.323 30 10 JEEE C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)CCN1C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2282551038 GXWFNEINESPSNA-JKSUJKDBSA-N 462.400 2.485 30 10 JEEE Cn1nc(C(=O)N[C@@H]2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)cc1B1OC(C)(C)C(C)(C)O1 2282627148 GPMHFCKZZJVSEA-HRCADAONSA-N 460.384 2.095 30 10 JEEE C[C@H]1CCN(S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CCN1Cc1ccccc1 2282854722 VHVCUCACKNYZMA-SFHVURJKSA-N 474.436 2.004 30 10 JEEE CC(C)(C)OC(=O)N1CC(CCNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(O)cc2O)C1 2282915674 OIXUNGSRWBLKEP-UHFFFAOYSA-N 462.352 2.384 30 10 JEEE Cn1cc(C(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)nc1CNC(=O)OC(C)(C)C 2283983180 GXVFUUWYBREWHD-UHFFFAOYSA-N 457.340 2.391 30 10 JEEE COC1(C(=O)N2Cc3cccc(B4OC(C)(C)C(C)(C)O4)c3C2)CN(C(=O)OC(C)(C)C)C1 2284061701 AMACYOQICGNXEH-UHFFFAOYSA-N 458.364 2.464 30 10 JEEE CC(C)(C)OC(=O)N1CC(CO)(C(=O)N2CCc3c(B4OC(C)(C)C(C)(C)O4)cccc32)C1 2284067444 MAPJZZHDGCYSRG-UHFFFAOYSA-N 458.364 2.104 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)NCc1c[nH][nH]c1=NC(=O)OC(C)(C)C 2285213971 BERVGUPKQLJKMQ-UHFFFAOYSA-N 457.340 2.111 30 10 JEEE COc1cc(OC)c(OC)cc1C=Nn1c(COc2ccccc2)nnc1SCC(N)=O 2329898664 NNRYFQPIESVSCR-UHFFFAOYSA-N 457.512 2.343 30 10 JEEE C[C@@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)Nc1cc(F)c(B2OC(C)(C)C(C)(C)O2)c(F)c1 2341210814 OCFUNQMIYWEZPE-BZNIZROVSA-N 456.295 2.477 30 10 JEEE COc1cc(NS(=O)(=O)c2ccc(NN=C3C(=O)CC(C)(C)CC3=O)cc2)nc(OC)n1 59449461 IRKYUHHDWWXIAL-UHFFFAOYSA-N 461.500 2.021 30 10 JEEE CCN(CC)c1ccc([C@@H]2c3c(nc(N4CCC5(CC4)OCCO5)[nH]c3=O)NC(=O)[C@H]2C#N)cc1 72444342 VUNZKXDDOLAMKD-OALUTQOASA-N 478.553 2.183 30 10 JEEE CCN(CC)S(=O)(=O)c1ccc(/C(O)=C2/C(=O)C(=O)N(CCOC)[C@H]2c2cccc(O)c2)cc1 102911382 UYYBSOQRALOSNF-AGGMBTAESA-N 488.562 2.491 30 10 JEEE C#CCN1C(=O)[C@H]2[C@H](C1=O)[C@@](Cc1c[nH]c3ccccc13)(C(=O)O)N[C@H]2c1ccccc1OC 248243414 KGEHJLKNKNGBII-MSZDEVHKSA-N 457.486 2.121 30 10 JEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc([C@H]3C[C@H]3C)o2)c(=O)n1-c1ccccc1C#N 604001491 HJGQHEXLJYEGPN-QAPCUYQASA-N 456.527 2.292 30 10 JEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCC(c4nnc5n4CCC5)CC3)nnc12 615829150 VUHPYVDOHJDFKS-UHFFFAOYSA-N 490.593 2.266 30 10 JEEE C=CCn1c(=C(C#N)C(=O)c2ccccc2)sc(=Cc2cc(OC)c3c(c2)OCCO3)c1=O 654765750 HNMXZIVQQCKLAE-UHFFFAOYSA-N 460.511 2.262 30 10 JEEE CC1(C)OB(c2cc(S(=O)(=O)N3CCCC3)ccc2I)OC1(C)C 725428800 CYXWHJRMERQZKL-UHFFFAOYSA-N 463.146 2.375 30 10 JEEE CCn1cc(-n2c(=C(C#N)C(=O)c3ccccc3)sc(=Cc3cnn4ccccc34)c2=O)cn1 729672321 IGGZSZQNQGEUOD-UHFFFAOYSA-N 466.526 2.149 30 10 JEEE N#Cc1cc(S(=O)(=O)N2CCN(CC(=O)N3CCCCCC3)CC2)ccc1C(F)(F)F 1184882407 BQFRYCKBZAPGCS-UHFFFAOYSA-N 458.506 2.286 30 10 JEEE C#CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1286324453 PWVIICUMKURWQQ-ROUUACIJSA-N 481.619 2.013 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H](c1cccs1)N(C)C)[C@H]1CCS(=O)(=O)C1 1286395646 SCGLNYXHEMZHEC-PMACEKPBSA-N 484.651 2.255 30 10 JEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CC[C@H](C(=O)N(C)c2ccccc2)C1 1286494322 LXDFKEHICGQYOK-SFHVURJKSA-N 454.600 2.272 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)Nc2ccccn2)n1C[C@]1(O)CCN(C)C1 1286744242 GCBDKOZASYQYKV-DEOSSOPVSA-N 465.533 2.324 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCC1(C)C 1286773412 NKGBTVMTZULKPF-ROUUACIJSA-N 455.625 2.076 30 10 JEEE C=CCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 1286776014 UEZDYKWCHYNBDL-INIZCTEOSA-N 469.558 2.210 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@H](N2CCCC2=O)C1 1286797590 ZMIKXGQWGOUYGU-IBGZPJMESA-N 452.559 2.231 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCS[C@@H](CC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1286824912 KBSCDCLSXKYIEF-FXAWDEMLSA-N 458.650 2.251 30 10 JEEE N#Cc1ccc(N2C[C@H](C(=O)NCc3ccc(C(=O)NCCN4CCCC4)cc3)CC2=O)cc1 1293557890 CYAWOKOEYJMHJS-JOCHJYFZSA-N 459.550 2.053 30 10 JEEE C#CCCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1300352041 DWVKGDXNOVDBAS-IBGZPJMESA-N 466.542 2.239 30 10 JEEE C#CCCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC(NS(C)(=O)=O)CC1 1300357954 CXYFUXDCKZMIPM-UHFFFAOYSA-N 467.599 2.452 30 10 JEEE C#CCN(c1nnc(-c2ccccc2F)n1CCCOC[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 1300486812 BNDYTQIWFKVEGX-RBUKOAKNSA-N 476.574 2.297 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H](c1ccc(C)cc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1300496710 UHCDXCMRQSWICG-VJBWXMMDSA-N 485.654 2.410 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@](C)(O)[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1300500506 ADSCHHGQQLCXEB-PTLVVNQVSA-N 458.628 2.487 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CCC(=O)N1CCCCC1 1300649775 WCJIENPEDXMUOS-FQEVSTJZSA-N 452.534 2.411 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccn2C)n1C[C@@H]1C[C@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1300663956 JRDLDYCTAPRDQK-IRFCIJBXSA-N 484.601 2.394 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCNC(=O)c2occc2C)CC1 1300691461 ZNXZMULFISSPFP-UHFFFAOYSA-N 467.961 2.470 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OC)n2C[C@H]2CCN(CC)C2)CC1 1300730583 BMMVJCPHNPLFOK-FQEVSTJZSA-N 480.613 2.173 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@]2(O)CCSC2)CC1 1300730909 GNDCUWMAQNUXDH-VWLOTQADSA-N 483.638 2.308 30 10 JEEE C#CCSCCn1c(-c2ccc(Br)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1300742532 MERLYTPLVRLAGS-SFHVURJKSA-N 478.416 2.415 30 10 JEEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 1300823292 BOSOUKASGYTAOL-SFHVURJKSA-N 477.407 2.181 30 10 JEEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2cnccn2)CC1 1300863068 HQZYYQQDYNMOCG-RDJZCZTQSA-N 464.368 2.027 30 10 JEEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nc(CC)ns2)CC1 1301188432 JOPOVWWAHOFVOT-MRXNPFEDSA-N 465.649 2.277 30 10 JEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(C2CCCC2)CC1 1301189667 ZDGVQPRKQIXOPU-NRFANRHFSA-N 480.679 2.422 30 10 JEEE C=CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(S(C)(=O)=O)CC1 1301221885 PNJUDYAQPHCPHC-UHFFFAOYSA-N 459.620 2.432 30 10 JEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(N2CCCC2)cc1 1301458923 JYLFXNBLXXECGU-FQEVSTJZSA-N 460.604 2.034 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1301502836 QFPXVYRLJNNOQS-HSZRJFAPSA-N 469.977 2.310 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1301578228 ZWZFIFYJPZAFDU-UHFFFAOYSA-N 496.037 2.224 30 10 JEEE C=CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](C(N)=O)C1 1301611218 JOQVVZAQFGMEFE-IRXDYDNUSA-N 480.635 2.207 30 10 JEEE C#CCCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1358911587 YKNNBKGMFMCNQG-LJQANCHMSA-N 490.612 2.434 30 10 JEEE C#CCCCn1c(Cc2ccncc2)nnc1N1CCC(CC(=O)N2CCN(CC)CC2)CC1 1358931522 DROLMACPDLIRPU-UHFFFAOYSA-N 463.630 2.448 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1CCc1ccccn1)[C@H]1CCS(=O)(=O)C1 1358965022 MJUYPDPZUVBEDT-FQEVSTJZSA-N 453.543 2.272 30 10 JEEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CCCN2CCCCCC2=O)CC1 1359037641 RIPWADNYGRZTEW-UHFFFAOYSA-N 455.632 2.182 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OC)n2Cc2nccs2)CC1 1359047790 TXMDGYBCYMEBRK-UHFFFAOYSA-N 466.567 2.336 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cn2nc(C)cc2C)n1C[C@@]1(O)CCN(C)C1 1359254816 DPFZKJMBZFTTFN-RUZDIDTESA-N 465.602 2.408 30 10 JEEE CC(C)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC2(O)CCOCC2)CC1 1360031331 DPKYUACAXBMNDM-UHFFFAOYSA-N 468.602 2.438 30 10 JEEE C=CCNC(=O)c1cccc(S(=O)(=O)N2C[C@@H](C(=O)OC)[C@H](c3ccc(F)cc3F)C2)c1 1475415534 BHKUUJACNAGCOE-RBUKOAKNSA-N 464.490 2.458 30 10 JEEE CCOC1CC(O)(Cn2c(N(C)Cc3cccc(C#N)c3)nnc2[C@]2(OCC)CCOC2)C1 1502963904 HHKCWIIGFQAOEZ-BOYUCYPVSA-N 455.559 2.368 30 10 JEEE CN(C[C@H]1CCCCO1)c1nnc(COc2ccc(C#N)cc2)n1CC1(C(N)=O)CCOCC1 1503542729 HNUSUXMYYZFKAB-HXUWFJFHSA-N 468.558 2.016 30 10 JEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1C[C@@H](C)CN1CCOCC1)[C@H]1CCS(=O)(=O)C1 1507627933 UNLSBCUCRBPLFG-RXVVDRJESA-N 492.045 2.194 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1CC(=O)N(C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1507635292 RKBZZPRQIRRTMS-NRFANRHFSA-N 497.646 2.216 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CC1(CC(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 1507637290 JCVPENXGRSBURV-ZCNNSNEGSA-N 464.632 2.455 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCNC(=O)C(C)(C)C 1507644591 KAVNBQJVAXLETF-UHFFFAOYSA-N 453.543 2.206 30 10 JEEE C#CCN(CC#C)c1nnc(CCOc2ccccc2)n1Cc1cccc(N2CCOCC2)n1 1507657417 RBABYVPYKAOYOW-UHFFFAOYSA-N 456.550 2.252 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@H](C)CN1CCOCC1 1507686403 BKXSWNLSOHIYCV-FQEVSTJZSA-N 477.613 2.493 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2cc(C(C)(C)C)no2)CC1 1507726649 JTSWKXSWWPTTNC-UHFFFAOYSA-N 467.599 2.359 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCOc2ccccc2Cl)CC1 1507733252 QZPXIXRIVDIVEC-RXVVDRJESA-N 459.978 2.490 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCSCC(C)C)CC1 1507741350 ZXJKZMMPKNBCJB-UHFFFAOYSA-N 457.648 2.495 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2Cc2nc3cc(OC)ccc3n2C)CC1 1507742755 PJBFWLRJFLJVBG-UHFFFAOYSA-N 463.586 2.386 30 10 JEEE C=C(Br)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1507783311 BWUZWAKNLQJLKF-YOEHRIQHSA-N 498.403 2.169 30 10 JEEE C=C(C)COCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@@H](NC(C)=O)C1 1507845163 XPBAFZYNCDOLSP-OAQYLSRUSA-N 468.606 2.150 30 10 JEEE C=CCCCn1c(-c2noc3c2COCC3)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1507945977 NGFHODXCBQXAPQ-UHFFFAOYSA-N 464.592 2.270 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccc(C)cc1)N1CCOCC1 1507984006 SPHPBXDARASOJX-NHCUHLMSSA-N 459.616 2.184 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@@]2(CCOC2)C1)C(C)C 1508014704 WOIDVKIBBBBYFP-URXFXBBRSA-N 455.607 2.373 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](CC)NC(=O)OC(C)(C)C)C1 1508125120 NWWZRTBIPHXMIQ-FGTMMUONSA-N 483.635 2.265 30 10 JEEE C[C@H](Cn1c(CCc2ccccc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C)N(C)C 1510069340 BYIKYSLBRYOCRB-WOJBJXKFSA-N 459.602 2.390 30 10 JEEE C#CCCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1539082336 RNQXIZQWMFJVON-UHFFFAOYSA-N 484.988 2.241 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2ccccc2F)n1Cc1cc(C)nn1C)[C@H]1CCS(=O)(=O)C1 1539205379 HKKHBKXHAYAHBM-MSOLQXFVSA-N 486.573 2.274 30 10 JEEE C#CCN(c1nnc(CC2CCCC2)n1CCCN1C[C@H](C)O[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1539225276 MJXXHQYQPZLXBE-RZUBCFFCSA-N 477.675 2.137 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@H](C)Oc1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 1539225434 OCOPCPSOGRNZMT-FPOVZHCZSA-N 495.605 2.367 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)nc1OC 1539391222 BKWZIAZRHWTDBW-IBGZPJMESA-N 499.568 2.420 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2ncn(C)n2)CC1 1539890885 VEYCZTCSRJQDGG-KRWDZBQOSA-N 458.567 2.166 30 10 JEEE C=CCCCn1c(-c2cccnc2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1539997524 PGZMKHQQCZGNAX-UHFFFAOYSA-N 451.575 2.247 30 10 JEEE C=CCN(CC=C)c1nnc(-c2ccccc2Br)n1C[C@]1(O)CCS(=O)(=O)C1 1540163375 ZFNWTEFUZBPRCR-LJQANCHMSA-N 467.389 2.436 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N(Cc1cccc(F)c1)C[C@H]1CCCO1 1540868350 BHKDEQQNUDAIIR-LJQANCHMSA-N 451.506 2.362 30 10 JEEE C=CCNC(=O)Cn1c(N2CC[C@@H]([C@H]3CCOC3)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1540875924 BWMKCDWMJXKPLB-HCXYKTFWSA-N 474.606 2.214 30 10 JEEE CC(C)Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCNC(=O)c1cccs1 1541472241 COIYCAPYUUPEOD-QGZVFWFLSA-N 479.614 2.345 30 10 JEEE CC(C)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2CCOCC2)CC1=O 1541565901 HDKNIXGCDXCAPM-UHFFFAOYSA-N 452.559 2.460 30 10 JEEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 1542485999 XQYXIFWZQYOXON-LJQANCHMSA-N 459.591 2.486 30 10 JEEE N#Cc1ccc(N2C[C@@H](C(N)=O)C3(CCN(C(=O)c4cnccn4)CC3)C2)cc1C(F)(F)F 1548377110 BZALOJHEHHTKFB-KRWDZBQOSA-N 458.444 2.211 30 10 JEEE COC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCN2CCCO)C1 1554513835 BHGNCPQCQULASJ-RTWAWAEBSA-N 452.559 2.053 30 10 JEEE CO[C@]1(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCC[C@](C)(C#N)C2)CCOC1 1554713606 HWEYXLBTYLEZBY-YADHBBJMSA-N 459.572 2.284 30 10 JEEE CCc1ccc(O[C@@H](C)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3OC)CC2)cc1 1561252015 CVCZHVMZWPAIHL-KRWDZBQOSA-N 457.552 2.430 30 10 JEEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccccc2Oc2ccc(OCC)cc2)CC1 1562128658 IOJGKQLGSGHQBK-UHFFFAOYSA-N 458.540 2.495 30 10 JEEE COc1ccc(OC)c(CN(CCO)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1 1564547009 DOWPAJUTCXUKKX-OAQYLSRUSA-N 452.511 2.275 30 10 JEEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1587884324 VCQGRQOPNRRVDQ-RDPSFJRHSA-N 475.597 2.131 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1ccnc(SC)c1)[C@@H]1CCS(=O)(=O)C1 1588065436 YQCWKWMCXPOTCN-LJQANCHMSA-N 468.608 2.056 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H]1CCCN(CC(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1588073835 FOSRYMAAVPWEPD-NJDAHSKKSA-N 463.648 2.124 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCCN(C)S(=O)(=O)CC)CC1 1588780143 ILMGFUVSGIVEGO-UHFFFAOYSA-N 483.013 2.164 30 10 JEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CCOc2ccccc2Cl)CC1 1589059027 ABQPPJZAUCNBPI-LJQANCHMSA-N 489.045 2.450 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 1593746812 NUPNZWILTWZHTC-NRFANRHFSA-N 493.674 2.248 30 10 JEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1594681188 ZAXOCMACKKDADK-KRWDZBQOSA-N 452.625 2.083 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C(=O)c2ccsc2)CC1 1595506893 PGWSKIVEGUDYPN-UHFFFAOYSA-N 496.593 2.288 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(=C)CC1 1595659138 TUBRWUCRQIYBPP-NRFANRHFSA-N 473.599 2.381 30 10 JEEE CC(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC[C@H](O)C2)CC1 1596513774 DGBBTHNZJYKESJ-FPOVZHCZSA-N 452.559 2.385 30 10 JEEE C#CCN(CC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)[C@@H]1CCc2ccccc21 1615264960 JHMZCWLMYVRFMW-HSZRJFAPSA-N 453.564 2.269 30 10 JEEE CSc1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CC(=O)N2CCOCC2)ccn1 1620233231 CHYXLEGHHYXLEL-UHFFFAOYSA-N 493.593 2.189 30 10 JEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)NCC(C)(C)CN(C)C)CC1 1625790423 GRALAUKLNAHTQE-LJQANCHMSA-N 450.624 2.236 30 10 JEEE CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2ccc3c(=O)n(C)c(=O)n(C)c3c2)ccc1OC 1627563015 HGQJTZAQIRTGDZ-INIZCTEOSA-N 451.483 2.248 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](CO)c2cccc(Br)c2)s1 1632546008 UABKZXHBOBPRDE-OAHLLOKOSA-N 459.387 2.367 30 10 JEEE C#CCCN(CC(F)(F)F)C(=O)C[C@@H]1CS(=O)(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 1633549174 WMFQSJGBEDFOIU-RBSFLKMASA-N 452.495 2.071 30 10 JEEE CC(=O)c1cn(C2CN(C(=O)[C@H]3c4ccc(C#N)cc4CCN3C(=O)OC(C)(C)C)C2)nn1 1648553085 VVSJPQOBQPLSLQ-HXUWFJFHSA-N 450.499 2.270 30 10 JEEE C#C[C@H](NC(=O)NCc1cn(CC(F)(F)F)c(=O)nc1O)c1ccc(Br)cc1 1674031150 QNSFLGHHBRARND-ZDUSSCGKSA-N 459.222 2.447 30 10 JEEE C=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 1681943779 SVCWCUXWRSOCNH-JKEDJMADSA-N 464.563 2.192 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCNC(=O)Cc1cccc(F)c1 1689830478 AIJZPQRCZGBRRM-KOSHJBKYSA-N 457.550 2.275 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1CCNc1nccc(C(F)(F)F)n1)[C@H]1CCS(=O)(=O)C1 1689980222 OGSXLENUACAGSW-AWEZNQCLSA-N 485.536 2.123 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H](C)SC)[C@@H]1CCS(=O)(=O)C1 1689983597 DGBBWHRVSLYMJW-DOTOQJQBSA-N 464.613 2.341 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1690031778 XJPUMXHHCUCIQV-QHCPKHFHSA-N 483.576 2.289 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCOC[C@@H]2CCOC2)CC1 1690115110 SGNSHSGWEZLEFX-IBGZPJMESA-N 454.531 2.052 30 10 JEEE C#CCSCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCNC(=O)CC1 1690172991 SRFYIVMPRYYUOH-KRWDZBQOSA-N 462.620 2.085 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(N(C)C)CCCCC1 1690597115 JYILBLORLHZOMR-IBGZPJMESA-N 466.652 2.054 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(OCC)c(OC)c2)C1 1690699334 CRYWTFLIHVPPCO-RBUKOAKNSA-N 476.599 2.417 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1690729148 HMYGDNCCPKUSDG-JOCHJYFZSA-N 495.609 2.190 30 10 JEEE CCOc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CC2(S(C)(=O)=O)CC2)cc1OC 1696116810 HSPNJRVAADJZQQ-HXUWFJFHSA-N 463.535 2.372 30 10 JEEE CS(=O)(=O)N1CCO[C@H](c2nnc(N(CCC#N)CC3CC3)n2C[C@@H]2CCCCS2)C1 1698312427 HAKGJUTUVNPQEJ-ROUUACIJSA-N 468.649 2.027 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(F)cc2Br)n1CC1(O)CCS(=O)(=O)CC1 1705484071 IKYVQUXZLUYBNT-CYBMUJFWSA-N 485.379 2.244 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(OC)c(OC(F)F)c1 1705495036 JYTSKYSEJNGUMB-HOCLYGCPSA-N 468.526 2.491 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(COC(C)(C)C)c1 1705495088 KMAPKBCDBLOTIE-RXVVDRJESA-N 489.642 2.432 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H](C)Oc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1705564961 GHAQRFLNTWYPMR-GGPKGHCWSA-N 476.574 2.405 30 10 JEEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@@H]1CCCCC(F)(F)C1)[C@@H]1CCS(=O)(=O)C1 1705569076 YWIGMFWTBBGBJJ-QZTJIDSGSA-N 483.585 2.243 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@H](c1cccc(F)c1)N(C)C)[C@H]1CCS(=O)(=O)C1 1705570406 MXLMNIUANKQAIJ-XZOQPEGZSA-N 496.612 2.333 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2Cc2cccn(CC)c2=O)CC1 1705649971 KFWNBTQQHWESQR-UHFFFAOYSA-N 488.592 2.073 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2CCn2cc(Cl)cn2)CC1 1705650729 XEHNAGWKSLZURI-UHFFFAOYSA-N 481.988 2.416 30 10 JEEE C=C(C)Cn1c(N2CCN(CC(=O)NC3CCCCC3)CC2)nnc1[C@]1(OCC)CCOC1 1705728538 NSRUDRPTZMSEGC-DEOSSOPVSA-N 460.623 2.077 30 10 JEEE C=CCCOCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1705827768 QQUXOWVNRSASJI-OAQYLSRUSA-N 455.559 2.374 30 10 JEEE C=CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCN1CCC(O)CC1 1705840923 ICKNYKLRSXPLLQ-UHFFFAOYSA-N 451.575 2.144 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CNC(=O)c2cccs2)n1C[C@@]1(O)CCN(C)C1 1705860123 COGADMBKRNJECZ-RUZDIDTESA-N 491.621 2.400 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1705897359 LGGUVQHDFQLZTL-ZWKOTPCHSA-N 470.574 2.176 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CCC2(CCN(C)C2=O)CC1 1705899580 YHYMGGGISZHVJW-UHFFFAOYSA-N 487.402 2.459 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H](NC(=O)OCC)C1 1705935485 SPGKKJWJSXCROU-INIZCTEOSA-N 497.568 2.463 30 10 JEEE C=CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(NC(=O)COC)CC1 1705941691 RSTJERBZTXVSMS-UHFFFAOYSA-N 473.599 2.367 30 10 JEEE C=CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCN1CCOCC1 1705946798 RCLMBCXRSDZBEM-IBGZPJMESA-N 496.678 2.274 30 10 JEEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@@H]2CCOC2)n1CCSC(F)(F)F 1708152320 CTFFTVUSRAMNSZ-UONOGXRCSA-N 468.509 2.412 30 10 JEEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cccnc2OC)C[C@H](C)O1 1712303015 CSRBQJGQSHKJFZ-UWJYYQICSA-N 464.526 2.421 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CCN(C)C2CCCC2)c1 1722305434 HJYJSXCQMLMKQS-UHFFFAOYSA-N 465.602 2.347 30 10 JEEE C#CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCN1CCN(CC)CC1 1722357520 GWZVYBDKTHTKBA-FQEVSTJZSA-N 459.639 2.447 30 10 JEEE C#CCN(c1nnc(CCOc2ccccc2)n1CCc1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1722370198 AIFJIJJGXQMFEN-FQEVSTJZSA-N 483.594 2.374 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](C)c2ccc(F)cc2)CC1 1722440843 LQHPQCCLKITRLF-KRWDZBQOSA-N 454.550 2.325 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC[C@@H]2CCOC2)CC1 1722442909 IAKRGYUFPFJWTD-GOSISDBHSA-N 467.570 2.355 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2C[C@H]2CN(CC(C)C)CCO2)CC1 1722448091 RKJIMMLFPBTRAH-JOCHJYFZSA-N 456.635 2.258 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CCOc1ncccc1F 1722450176 ZHSKCYFWVOKBJP-UHFFFAOYSA-N 463.473 2.293 30 10 JEEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1722476715 GMBNHYXZVVNVPH-UHFFFAOYSA-N 478.395 2.350 30 10 JEEE C=CCCCCCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@]1(O)CCN(C)C1 1722594799 DXWLHZQVXKKMNF-RUZDIDTESA-N 465.602 2.441 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCC(=O)N2)n1CCCN1CCC(O)CC1 1722659937 HVIOWVUKDPVXPY-OAQYLSRUSA-N 456.566 2.408 30 10 JEEE C=CCNC(=O)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1722701154 HWVKAEHBKWVKAJ-UHFFFAOYSA-N 463.586 2.347 30 10 JEEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC(F)(F)F)C[C@@]2(CCCOC2)O1 1726661393 APOHPVTWKSDCNL-YCRPNKLZSA-N 478.475 2.270 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1cccc(N2CCOCC2)n1 1740540673 XXQQLHQDFWWLDL-GOSISDBHSA-N 480.594 2.086 30 10 JEEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1740580596 CTXHZHDLCXYATE-UHFFFAOYSA-N 493.033 2.041 30 10 JEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1 1740590086 FDKRJMHRDYCPKL-QGZVFWFLSA-N 465.620 2.477 30 10 JEEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1C[C@@H]1CC=CCO1)[C@@H]1CCS(=O)(=O)C1 1740627996 MEKJDWIHSVAOLJ-QUCCMNQESA-N 476.986 2.482 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC1(CS(C)(=O)=O)CC1 1740644499 IUOULPHNRGGTEX-UHFFFAOYSA-N 467.595 2.435 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccc(C)cc1)N1CCOCC1 1740656730 MDLNLZSLOJXNIV-DNQXCXABSA-N 495.649 2.025 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1Cc1ncnn1C(C)(C)C 1740681521 OFAKTBOHOXMPGR-UHFFFAOYSA-N 451.531 2.197 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccc(F)cc2)CC1 1740703323 NTKQGLPJTSBYIK-DEOSSOPVSA-N 455.534 2.083 30 10 JEEE C#CCSCCn1c(-c2cccc(Cl)c2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1740711386 MRCVUZLEOSCGQD-KRWDZBQOSA-N 454.021 2.483 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(F)cc1C 1740732260 XDQKMMPKFIRYPX-NFBKMPQASA-N 475.590 2.293 30 10 JEEE C=C(C)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1740783607 MNNYLQGHLUSPLH-LJQANCHMSA-N 452.603 2.437 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(n2ccc(C(F)(F)F)n2)CC1 1740965253 FYRVOWKLKLXLJB-KXBFYZLASA-N 497.522 2.361 30 10 JEEE C=CCOc1ccccc1Cn1c(-c2cnccn2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1740968622 DATQOZAMXCOGRX-SFHVURJKSA-N 454.556 2.362 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1740985311 PLYASSPCTQLQMQ-TZIWHRDSSA-N 475.615 2.371 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2Cl)n1CCS(=O)(=O)N1CCSCC1 1748659506 ITYZTWDMAROBID-HNNXBMFYSA-N 454.021 2.435 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1[C@H](C)CCN1C(=O)OC(C)(C)C 1748671866 NSGXKIKMYQDVTO-XMTFNYHQSA-N 465.620 2.284 30 10 JEEE C#CCCCCn1c(N2CCCN(Cc3cnn(C)c3)CC2)nnc1[C@@]1(OCC)CCOC1 1748729842 CJCNBWPDIWFRIS-XMMPIXPASA-N 455.607 2.180 30 10 JEEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H](N1CCOCC1)C(F)(F)F 1748765972 BJEFPQCTSWDDKR-KRWDZBQOSA-N 484.910 2.194 30 10 JEEE C#CCN(c1nnc(CC)n1CC(C)(C)N1CCc2ccccc2C1)[C@H]1CCS(=O)(=O)C1 1748817248 HMKNLLDYLKUSME-NRFANRHFSA-N 455.628 2.304 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1ccc(N(CC)CC)nc1)[C@H]1CCS(=O)(=O)C1 1748817973 UEIOHKPJXVLVNI-SFTDATJTSA-N 486.642 2.088 30 10 JEEE C#CCN(c1nnc(COCC)n1Cc1ccc(C(=O)N2CCCCC2)cc1)[C@H]1CCS(=O)(=O)C1 1748824749 SMHVGKNRVCNCQR-QFIPXVFZSA-N 499.637 2.116 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1CC1(C)COC1)[C@H]1CCS(=O)(=O)C1 1748824956 UWSSTAPXITZKRA-IBGZPJMESA-N 458.584 2.137 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@]1(OC)CCOC1 1748902867 VPEPTJKDRNICST-GLDPYIMESA-N 457.575 2.317 30 10 JEEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCN(c2cnccn2)CC1 1749086735 NKAVCVIRSNJGEV-HNNXBMFYSA-N 452.357 2.027 30 10 JEEE C=C(Br)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(N(C)C(C)=O)CC1 1749109101 CIFFNCPHTMVZBA-UHFFFAOYSA-N 450.385 2.495 30 10 JEEE C=CCCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCCN(S(C)(=O)=O)CC1 1749398744 QHLASGUMSVWYCG-UHFFFAOYSA-N 471.587 2.422 30 10 JEEE C=CCCOCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1749449386 MKSMQGPEWJAWGO-QGZVFWFLSA-N 464.452 2.281 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1749659369 AFZJFDOHVFEIIN-OAHLLOKOSA-N 482.507 2.337 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1749659980 LCYQWYSMYKEBLJ-UHFFFAOYSA-N 486.573 2.179 30 10 JEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1749676177 HJXYURHXLUMVJU-UHFFFAOYSA-N 475.619 2.241 30 10 JEEE C=CCNC(=O)Cn1c(N2CC[C@]3(C)[C@@H](C2)C3(Cl)Cl)nnc1[C@@]1(OCC)CCOC1 1749681969 LJQITTBPFWXJLN-NIKGAXFTSA-N 458.390 2.253 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H]1Cc1cccs1 1749721371 IGJDKGXIKXZJPQ-KRWDZBQOSA-N 463.629 2.388 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@]2(CCC(=O)N2)C1 1749726098 XKNMZCSNVDFXON-KSFYIVLOSA-N 477.562 2.017 30 10 JEEE COCCN(Cc1ccco1)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1749816280 HOFSEBOPQMXVQR-IBGZPJMESA-N 484.582 2.344 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CCN1CCCS1(=O)=O 1760105000 KQFNMMZHSUDLQH-CQSZACIVSA-N 482.404 2.210 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)C)n2CC(=O)NCC(F)(F)F)c1 1760128684 PLBVHUUUFCFZGI-UHFFFAOYSA-N 450.465 2.211 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1CCCN1CCCCCC1=O)[C@@H]1CCS(=O)(=O)C1 1760185181 RIQXHSHXCGLABW-HXUWFJFHSA-N 499.637 2.373 30 10 JEEE C#CCN1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2C[C@H](OC)[C@H](C)CC)CC1 1760260597 YVCILUPUQOIRDB-QUCCMNQESA-N 473.647 2.055 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2CCCN2CCCC2)CC1 1760273570 YKDNUWTZFXRDTL-UHFFFAOYSA-N 468.577 2.448 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 1760333931 IIWWJBZSQIQZCU-SBHAEUEKSA-N 492.646 2.131 30 10 JEEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1 1760341487 FADBRTBJZUBDJF-OAHLLOKOSA-N 456.613 2.348 30 10 JEEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](c2noc(C3CC3)n2)C1 1760366164 RHBLEEOCQMBJTF-TZMCWYRMSA-N 455.972 2.285 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCN(Cc2cscn2)CC1 1760553005 IZOVQDROZVXPNJ-UHFFFAOYSA-N 458.613 2.325 30 10 JEEE CC(C)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCCS2(=O)=O)CC1=O 1761120537 AQVCDRWMIUHCMN-HXUWFJFHSA-N 470.599 2.089 30 10 JEEE CC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(C)=O)CC1)N1CCCC1 1762416758 DVEGPDZKPFJFCB-OAQYLSRUSA-N 451.575 2.272 30 10 JEEE C[C@@H]1CCC[C@@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1762832420 GOQQKFVADWCVAK-DRMXPCRNSA-N 486.642 2.476 30 10 JEEE COCCN(C)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@](F)(C#N)C1 1769791636 GGJBZMHDAZWXPU-HTAPYJJXSA-N 465.574 2.370 30 10 JEEE CC(=O)Nc1ccc(C)c(NC(=O)[C@H](CO)NC(=O)C2CCN([C@H](C#N)c3cccs3)CC2)c1 1866866216 FYZPNDNNNVQSTA-LEWJYISDSA-N 483.594 2.407 30 10 JEEE CCN(CC)CCNC(=O)c1ccc(-n2nnc(C#N)c2NC(=O)c2ccc3c(c2)OCO3)cc1 1870150200 CPLAEGPEHHEKMR-UHFFFAOYSA-N 475.509 2.192 30 10 JEEE COc1ccc(N2C[C@@H](C(=O)Nc3c(C#N)nnn3-c3cc(OC)cc(OC)c3)CC2=O)cc1 1870159032 BQGQOJRYRUQTIR-AWEZNQCLSA-N 462.466 2.156 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCCN(CC)CC)cn1Cc1ccccn1 1870536246 ZVLSSUZFPBJTHU-UHFFFAOYSA-N 467.614 2.302 30 10 JEEE C=CCn1cc(OCC(=O)Nc2ccccn2)c(=O)cc1CNc1ccc2c(c1)C(=O)N(C)C2=O 1870933751 OMEWKAARSSPEJS-UHFFFAOYSA-N 473.489 2.285 30 10 JEEE CC(C)N1C[C@H](c2nnc(SCC(=O)NCc3ccco3)n2/N=C/c2ccc(O)cc2O)CC1=O 1874333809 YNHOKXMPZFNWCC-DTKBVBGUSA-N 498.565 2.297 30 10 JEEE COCCc1nnc(SCC(=O)NCc2ccccc2)n1/N=C/c1ccccc1C(=O)O 1874474865 WPSNMOWLYYIQBI-ZVHZXABRSA-N 453.524 2.456 30 10 JEEE COC(=O)CSc1nnc(CC(C)C)n1/N=C/c1ccc(OCCN2CCOCC2)c(OC)c1 1874490493 TYZMIKQXRAZKRD-BUVRLJJBSA-N 491.614 2.344 30 10 JEEE Cc1ccc(C(=O)C=CC(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 2040489034 FSASDWCNCHPCSW-UHFFFAOYSA-N 490.965 2.464 30 10 JEEE CC(C)(C)OC(=O)NCCC(CCNC(=O)OC(C)(C)C)NS(=O)(=O)N1CCC[C@@H](C#N)C1 2140759113 BKAVZCXEJDOKQG-INIZCTEOSA-N 489.639 2.255 30 10 JEEE C[C@H](C(=O)N1C[C@H]2[C@H](B3OC(C)(C)C(C)(C)O3)[C@H]2C1)N1CCN(C(=O)OC(C)(C)C)CC1=O 2180986933 IWDSHXYULHATFL-CBZIJGRNSA-N 463.384 2.005 30 10 JEEE CC1(C)OB(c2ccccc2CCNS(=O)(=O)N2CC(OCc3ccccc3)C2)OC1(C)C 2187762921 XOCPXIRGZQOVPC-UHFFFAOYSA-N 472.416 2.264 30 10 JEEE Cc1cc(C(=O)NC2(CNC(=O)OC(C)(C)C)COC2)sc1B1OC(C)(C)C(C)(C)O1 2255875841 FNSDKQQUYBGUNL-UHFFFAOYSA-N 452.382 2.379 30 10 JEEE C[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2256626830 OPKVGGSTIWRECF-XEZPLFJOSA-N 454.398 2.499 30 10 JEEE C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1cc(B2OC(C)(C)C(C)(C)O2)cs1 2256629744 YOPJBGLMORWPQZ-BBRMVZONSA-N 454.398 2.280 30 10 JEEE Cc1c(B2OC(C)(C)C(C)(C)O2)csc1C(=O)N1C[C@H](O)C[C@@H](NC(=O)OC(C)(C)C)C1 2267105686 PIWRUEKMFLEORM-HUUCEWRRSA-N 466.409 2.456 30 10 JEEE Cc1csc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H](O)C2)c1B1OC(C)(C)C(C)(C)O1 2267159241 HWTHWMUTWQWENB-HNNXBMFYSA-N 466.409 2.410 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1COC[C@H]1NC(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1F 2267403237 KLLFBXJFBTUQDD-CVEARBPZSA-N 450.316 2.147 30 10 JEEE CC[C@H](CN(CC)C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1)NC(=O)OC(C)(C)C 2267505314 GNMAPCYUIYQYQC-OAHLLOKOSA-N 450.389 2.485 30 10 JEEE C[C@H]1CC[C@H](CNC(=O)C(F)(F)F)N(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)C1 2267535693 ZWNOMYUTFJWUTR-NWDGAFQWSA-N 461.315 2.362 30 10 JEEE CC1(C)OB(c2cncnc2C(=O)NC2CC3(C2)C[C@H]3NC(=O)OCc2ccccc2)OC1(C)C 2267607925 RGZNUOKSKLADCE-WHEQYPTASA-N 478.358 2.353 30 10 JEEE Cn1nc(C(=O)N2C[C@@H](NC(=O)OC(C)(C)C)CC(F)(F)C2)cc1B1OC(C)(C)C(C)(C)O1 2281972975 PAGOLHXCZRDFFN-ZDUSSCGKSA-N 470.326 2.094 30 10 JEEE Cc1ccnc(C(=O)N[C@H]2COCC[C@H]2NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2282002604 QITCAFFWRSIIGW-CVEARBPZSA-N 461.368 2.101 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1C[C@H](CNC(=O)OC(C)(C)C)C1(C)C 2282048784 QFRYQLIFAPCCBP-ZBFHGGJFSA-N 462.400 2.389 30 10 JEEE Cn1cc(C(=O)N2C[C@H]3C[C@H](NC(=O)OC(C)(C)C)C[C@H]2C3)nc1B1OC(C)(C)C(C)(C)O1 2282050972 FDLXYPMNYAYXMH-HRCADAONSA-N 460.384 2.237 30 10 JEEE CC(C)(C)OC(=O)N1CCCO[C@H](CNC(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282181841 LSPDCTMCFRXHRC-GOSISDBHSA-N 461.368 2.137 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCC1CN(C(=O)OC(C)(C)C)C1 2282510455 YSMLDOWGUNLNMA-UHFFFAOYSA-N 482.408 2.140 30 10 JEEE Cc1nc(C(=O)N[C@@H]2[C@H](NC(=O)OC(C)(C)C)[C@@H]3CCO[C@H]32)c(B2OC(C)(C)C(C)(C)O2)s1 2282519083 ITJKKRSTRFKIIY-DSJMHWKBSA-N 479.408 2.161 30 10 JEEE CC(C)(C)OC(=O)N[C@](C)(CO)CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn1C1CC1 2282525441 QIHXQPRRBVWHDW-QHCPKHFHSA-N 463.384 2.128 30 10 JEEE CCc1nc(C(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2282525539 LCNYDDDTUPAYBR-DEOSSOPVSA-N 471.432 2.372 30 10 JEEE C[C@H](NC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 2282553586 SANMKGAIHHLQGO-JKSUJKDBSA-N 462.400 2.485 30 10 JEEE Cc1cc(C(=O)N[C@@H]2CO[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)oc1B1OC(C)(C)C(C)(C)O1 2282585773 PYEQEAXNIUQVAJ-ZMSDIMECSA-N 462.352 2.251 30 10 JEEE Cn1cc(C(=O)NC[C@]23CC[C@@H]2CN(Cc2ccccc2)C3)c(B2OC(C)(C)C(C)(C)O2)n1 2282585908 RIRWDXXJJPLHDD-CLOONOSVSA-N 450.392 2.361 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H](NC(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)C[C@@]2(C)C1 2282586799 DFKXYSJFWHXCNP-AQKDONEWSA-N 460.384 2.474 30 10 JEEE CC(C)(C)OC(=O)N[C@@]12CC[C@@](CNC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)sn3)(C1)OC2 2282607637 YCYGNRRPNBJGSS-VXKWHMMOSA-N 479.408 2.389 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CC(NC(=O)c3ncc(B4OC(C)(C)C(C)(C)O4)cn3)C[C@H]2C1 2282627688 JKAFVKZUQRBCCU-GJZGRUSLSA-N 458.368 2.151 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@]2(NC(=O)c3ncc(B4OC(C)(C)C(C)(C)O4)cn3)C[C@@H]2C1 2282629427 VSFIZEYJTUWSIZ-CMJOXMDJSA-N 458.368 2.295 30 10 JEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H]1CN(Cc2ccccc2)C(C)(C)C1 2282862439 CLYGQQLBWYWJKG-SFHVURJKSA-N 474.436 2.051 30 10 JEEE CC(C)(C)OC(=O)NC[C@H](C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1)[C@H]1CCOC1 2284039508 ISQINLDOSMXEAF-HOTGVXAUSA-N 461.368 2.497 30 10 JEEE CC(C)(C)OC(=O)N1CC(OCC(=O)N2Cc3ccc(B4OC(C)(C)C(C)(C)O4)cc3C2)C1 2284048034 IQHMLLFQBLYZKS-UHFFFAOYSA-N 458.364 2.464 30 10 JEEE COC(CN=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)OC 2297472114 XWFDREYZNGAQBP-SNXLJQIZSA-N 491.625 2.389 30 10 JEEE CCOC(=O)[C@H]1CCCN(c2c(C=C3SC(=S)N(C)C3=O)c(C)c(C#N)c(=O)n2C)C1 2314457700 VLBBUSQTIGUBSC-ZDUSSCGKSA-N 460.581 2.176 30 10 JEEE CN1CCN(c2ccc(-n3nnc(C#N)c3NC(=O)C=Cc3cccc([N+](=O)[O-])c3)cc2)CC1 2332188363 IDAZRRXZPJBXPB-UHFFFAOYSA-N 458.482 2.451 30 10 JEEE CC(C)(C)OC(=O)NCC[C@H](O)C(=O)Nc1cc(F)c(F)cc1B1OC(C)(C)C(C)(C)O1 2351769275 IUVMIBSFNWOBQS-INIZCTEOSA-N 456.295 2.478 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H]3CC[C@H]2[C@@H]3NC(=O)OC(C)(C)C)n1C 2362341362 SJHRCEPKOLLCMP-HRCADAONSA-N 460.384 2.155 30 10 JEEE COc1[nH]c(=NC[C@H]2C[C@@H](OC)CN2C(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2365349116 ZRGYCHFWTUHJHR-HZPDHXFCSA-N 463.384 2.248 30 10 JEEE CC(=O)Nc1ccc(S(=O)(=O)/N=C2/NC(=O)/C(=C/c3cc([N+](=O)[O-])ccc3O)S2)cc1 96576574 KLUQIPJGEVOUGL-SXGWCWSVSA-N 462.465 2.208 30 10 JEEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN(c3ccc(Br)cn3)CC2)c1 108398662 QKYNRZOVSYJJDW-UHFFFAOYSA-N 465.373 2.271 30 10 JEEE C=CCNC(=O)CN1CCN(C(=O)[C@H]2CCC(=O)N(CCCC)[C@@H]2c2ccc(OC)cc2)CC1 516388896 XWRSQMBNIXXFNK-WIOPSUGQSA-N 470.614 2.221 30 10 JEEE COc1cc(NC(=O)CSc2nnc(NN=Cc3cccc([N+](=O)[O-])c3)n2N)cc(OC)c1 1084076216 GFXOOEPIAQNYPD-UHFFFAOYSA-N 472.487 2.094 30 10 JEEE COc1cc2c(cc1OC)CN(C(=O)CSc1n[nH]c(NN=Cc3cccnc3)n1)CC2 1084134102 HQMXQAJOKBDWPU-UHFFFAOYSA-N 453.528 2.340 30 10 JEEE C=CCS(=O)(=O)CCNC(=O)c1ccc(Br)cc1I 1127462089 FYXICGPIHFXDHE-UHFFFAOYSA-N 458.115 2.384 30 10 JEEE C#CCn1ccc(CN(CC)C(=O)C2CCN(S(=O)(=O)c3ccc(C(C)=O)cc3)CC2)n1 1128672203 IHEBFAFXZFNYDE-UHFFFAOYSA-N 456.568 2.168 30 10 JEEE C#C[C@@H](NC(=O)c1ccc(S(=O)(=O)N[C@H](C)CO)cc1)c1ccc(Br)cc1 1141461498 WWRLESRHVGQAPE-FZKQIMNGSA-N 451.342 2.213 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CNC(=O)c3cccs3)n2CCc2cn[nH]c2)c1 1286311034 CMMAGCNKFLRARR-UHFFFAOYSA-N 488.577 2.292 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1286383079 VODFQXZRKIBLOE-JOCHJYFZSA-N 498.653 2.260 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1Cc1ccc(Cn2cccn2)cc1)[C@H]1CCS(=O)(=O)C1 1286391327 COSSIZZWRBEOTD-QFIPXVFZSA-N 466.611 2.396 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1cccc(OC)c1OC)[C@@H]1CCS(=O)(=O)C1 1286395180 RCCDNTSWKJYSOO-UYAOXDASSA-N 474.583 2.212 30 10 JEEE C#CCSCCn1c(-c2cccnc2)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1286504432 RAHWWXATTWEWHY-NHCUHLMSSA-N 481.670 2.333 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc2c(cc1OC)C[C@H](C)O2 1286516249 FEKZVSIEPHPFSK-PBPSECFOSA-N 473.599 2.261 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1c(C)noc1C 1286791411 SQXMZMZJCKXATL-SFHVURJKSA-N 489.577 2.130 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1286795455 BOCVCGIPUZIAAP-IBGZPJMESA-N 467.574 2.070 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 1286822116 HERCCSVTYVGQMU-IBGZPJMESA-N 490.630 2.310 30 10 JEEE C=C(C)Cn1c(SCC(=O)N[C@H]2CCC[C@H]2CNS(C)(=O)=O)nnc1-c1ccco1 1296831404 HGNBDHJRULLCEI-GJZGRUSLSA-N 453.590 2.040 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2C[C@H]2CCOC[C@@H]2C)c1 1300337318 ZBOMUNMZDPGXBG-AZUAARDMSA-N 464.570 2.129 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1CCN1CCN(Cc2ccccc2)CC1)[C@H]1CCS(=O)(=O)C1 1300483407 JSSBWLYGBRYRJL-VWNXMTODSA-N 498.697 2.236 30 10 JEEE C#CCN(c1nnc(C2CCCC2)n1CCCOC[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 1300495073 CKGYQVDRPWFDAN-PMACEKPBSA-N 450.605 2.148 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1Cc1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1300499753 WKFLQRCQPPQERN-SFHVURJKSA-N 457.531 2.288 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@](C)(O)c1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 1300503246 BWFZYIKGBVHPSM-NNMXDRDESA-N 479.002 2.317 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CCCOC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1300503791 FPVMSFQDISNGBU-QGZVFWFLSA-N 497.499 2.282 30 10 JEEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1Cc1cnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1300504879 VCCAPEUIONYTKI-QGZVFWFLSA-N 487.607 2.306 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2Cc2ccc(NC(C)=O)nc2)CC1 1300709895 KBUOYXQVECNEMP-UHFFFAOYSA-N 463.517 2.153 30 10 JEEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 1300929088 WMLXGKUSXKAVMU-HNNXBMFYSA-N 456.613 2.206 30 10 JEEE C=CCCOCCn1c([C@@H]2CCCCO2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1301253513 ZXPHFTUSDWADAL-NNWRFLSQSA-N 460.623 2.101 30 10 JEEE C=CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1301468720 MXOCFIKKORAZGA-WMZHIEFXSA-N 463.586 2.294 30 10 JEEE C=CCNC(=O)Cn1c(Cn2ccc3ccccc32)nnc1N1CCC(CC(=O)N(C)C)CC1 1301509238 DCPSYYAKCDDIST-UHFFFAOYSA-N 463.586 2.278 30 10 JEEE CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)CCCO2)CC1 1305643460 HMJLTACZEZKGAJ-DFBJGRDBSA-N 465.602 2.423 30 10 JEEE N#C[C@]1(F)CCN(c2nnc(CNC(=O)c3cccs3)n2CCC(=O)N2CCCCC2)C1 1316530172 DRMFAEUCZLTMMM-OAQYLSRUSA-N 459.551 2.114 30 10 JEEE C#CCCCCn1c(CC(C)(C)C)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1358913586 RQIVPIKHZVKIHC-UHFFFAOYSA-N 461.636 2.223 30 10 JEEE C#CCCCCn1c(CCOc2ccccc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1358915536 GWYJXIHXYBGJCB-UHFFFAOYSA-N 450.543 2.224 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H]1CC(=O)N(CCOC)C1 1358984158 KXOFZKVACPCTAG-OAQYLSRUSA-N 476.581 2.105 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCc2ccc(F)cc2)CC1 1359041883 LJQAWGZMIADQKB-RUZDIDTESA-N 469.561 2.278 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3COc4ccccc4O3)n2C[C@@H](C)COC)CC1 1359045842 VQRGPUPQPHUIED-DYESRHJHSA-N 453.543 2.039 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C2CCCC2)CC1 1359056902 NMVNXJJUGXQCMY-SFHVURJKSA-N 451.662 2.001 30 10 JEEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1359076157 SWRRDDRZAXPUNI-HNNXBMFYSA-N 451.373 2.375 30 10 JEEE C=CCCOCCn1c(N2C[C@H](C)O[C@@]3(CCOC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1359229640 PGYGHOMSKVDQCZ-VJBMBRPKSA-N 450.580 2.296 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1CCN1CCN(C)C(C)(C)C1 1359281887 LUBIMHMWWCNZSB-QFIPXVFZSA-N 470.618 2.455 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N(C)Cc1c(C)nn(C)c1C 1359333515 ZXILHXRDFLXTAR-OAQYLSRUSA-N 486.598 2.378 30 10 JEEE C[C@@H](CN1CCOCC1)Cn1c(CC(C)(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1360605952 IDCGEHKLSBZROE-VQTJNVASSA-N 481.649 2.212 30 10 JEEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H](C)Oc2ccc(Cl)cc2Br)CC1 1443355510 JAKGGQRHBFDEDL-CQSZACIVSA-N 456.768 2.154 30 10 JEEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCN2CCCO)CCCO1 1494477878 HTTURZHFEBZCHK-CTNGQTDRSA-N 454.575 2.191 30 10 JEEE CC[C@H](C)[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1494868549 AJCCDGLSBUIUGD-JTSKRJEESA-N 460.604 2.086 30 10 JEEE CCS(=O)(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(OC)CCOC2)CC1 1503230796 BYOOXCNKSBEKJP-JOCHJYFZSA-N 459.572 2.026 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCc1ccc(CC)cc1)[C@@H]1CCS(=O)(=O)C1 1507622840 MGUHGTVRKBZTQB-OAQYLSRUSA-N 492.605 2.357 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1CCCCN1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1507627125 CRGZVHBKMHINNL-NRFANRHFSA-N 470.643 2.479 30 10 JEEE C#CCN(c1nnc(Cc2c[nH]c3ccccc23)n1CCC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1507633330 CUSZZXDHHQXBQF-GOSISDBHSA-N 455.584 2.138 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H](C)Oc1ccccc1OC)[C@@H]1CCS(=O)(=O)C1 1507637613 LJOOUYNKEYKYOW-DBXWQHBBSA-N 474.583 2.232 30 10 JEEE C#CCN(CC#CC)c1nnc(CSc2ccc(Cl)cc2)n1CCNS(C)(=O)=O 1507676904 SBBAXGAXGJVQGV-UHFFFAOYSA-N 452.005 2.236 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(Br)ccc1OC 1507690741 WJGMMFFSGRLPBS-CQSZACIVSA-N 467.389 2.459 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccccc3F)n2C[C@H](C)CN2CCN(CC)CC2)CC1 1507723103 UZUBFYGYFRMHDS-OAQYLSRUSA-N 453.610 2.113 30 10 JEEE C#CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N(CC)CCS(C)(=O)=O 1507752113 VKDXHESNNBSCCT-SFHVURJKSA-N 450.586 2.028 30 10 JEEE C=C(C)COCCn1c(-c2ccc[nH]2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1507842525 IVGLCHIFYTVNEV-KNQAVFIVSA-N 455.607 2.245 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1508077462 NKZOWTDLFQDMFZ-FUHWJXTLSA-N 487.402 2.375 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cccc(OCC)n2)CC1 1508077710 QJVRWYDUBVOSNI-UHFFFAOYSA-N 472.553 2.239 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1508086256 MUAMPGWKKTYIGW-NRFANRHFSA-N 472.037 2.041 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C)(C#N)CC1 1508144709 XSNRSRQIRHBHMU-UHFFFAOYSA-N 454.556 2.460 30 10 JEEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(NC(=O)C2CC2)CC1 1508148686 XRKIEQSNQQAOTD-UHFFFAOYSA-N 455.588 2.340 30 10 JEEE CCNC(=O)C(C)(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1515982258 AFPBZIVLMDLLAU-HKUYNNGSSA-N 481.605 2.059 30 10 JEEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](CC)N2CCCC2)C1 1516022092 CRDAYYCKRPVFPF-LEWJYISDSA-N 471.631 2.209 30 10 JEEE COc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CC2(S(C)(=O)=O)CCC2)cc1OC 1518130095 IEXOIMZRGYFHFH-FQEVSTJZSA-N 463.535 2.372 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CCS(=O)(=O)C1 1539015164 SZJDCFRBMSNSHG-RCCFBDPRSA-N 465.620 2.285 30 10 JEEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(CCOC)[C@H](C)C1 1539053126 ZRONKFJXETYMBA-LJQANCHMSA-N 459.616 2.309 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1539202005 DQUIYKRCOXACCX-MSOLQXFVSA-N 470.599 2.378 30 10 JEEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CC[C@@]2(CCOC2)O1 1539334340 ZSDHAGLSBOVZTM-JPYJTQIMSA-N 453.568 2.071 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(Br)cc1 1539370611 XXNNKRMWFUYIGE-GOSISDBHSA-N 496.431 2.076 30 10 JEEE C#CCN(CC)c1nnc(CSc2ccccc2OC)n1CCN1CCN(C(C)=O)CC1 1539384074 VZHLCJHFAHIUON-UHFFFAOYSA-N 456.616 2.203 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccc([C@H](C)O)cc2)CC1 1539470201 ZEZQHHKVEFEAAP-CCLHPLFOSA-N 495.624 2.386 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccncc2Cl)CC1 1539889939 DVXQNWBCRPAPAR-GOSISDBHSA-N 466.995 2.110 30 10 JEEE C=CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1CC(=O)N1CCOCC1 1540053083 ANGPIULNOZHSLV-UHFFFAOYSA-N 450.337 2.197 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2Cc2ccc(C(N)=O)nc2)C1 1540882610 LLEVFZGGAOIPMF-FQEVSTJZSA-N 475.553 2.471 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1540903459 CZUBJULESDBFCW-KRWDZBQOSA-N 466.629 2.306 30 10 JEEE CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCCO2)CC1 1545712842 HSBFJSGUUMYVMM-SIKLNZKXSA-N 465.602 2.423 30 10 JEEE CCn1cnnc1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(C(=O)C(C)C)CC1 1547632051 GMSMUOVWQZWIRI-UHFFFAOYSA-N 477.573 2.083 30 10 JEEE N#Cc1ccc(N2CCC3(CC2)C[C@H](C(N)=O)N(C(=O)c2ncccn2)C3)cc1C(F)(F)F 1548379576 FDAZUXGLKZMJRY-QGZVFWFLSA-N 458.444 2.354 30 10 JEEE CNC(=O)[C@H]1CN(S(=O)(=O)c2cc(Br)c(C#N)cc2F)c2ccccc2O1 1561089971 DBKFUKIWULJSEM-OAHLLOKOSA-N 454.277 2.162 30 10 JEEE C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)NCCN2CCN(Cc3ccccc3)CC2)cc1 1562623252 BTFJFVYNTHZPQN-LJQANCHMSA-N 455.584 2.312 30 10 JEEE COC(=O)C[C@H](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1ccc2ccccc2c1 1583090608 CKEPTIHFNWMTDD-IBGZPJMESA-N 451.504 2.299 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H]2CCCOC2)CC1 1588898788 CCEJMFJHRUJOHX-SFHVURJKSA-N 467.570 2.355 30 10 JEEE C#CCSCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCO[C@@H](C#N)C1 1589053144 IMTHDGUERSFVOJ-KRWDZBQOSA-N 463.567 2.160 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CC(F)(F)CNC(=O)OC(C)(C)C)C1 1595664598 HPIRGIBAVIDSGP-HNNXBMFYSA-N 472.537 2.358 30 10 JEEE COCC[C@@](C)(O)Cn1c(Cc2cccnc2)nnc1N1CCN(c2ccccc2C#N)CC1 1619777944 GDVIXEYHLXBPIK-RUZDIDTESA-N 461.570 2.250 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC3(C2)OC(=O)Nc2ccc(F)cc23)s1 1653500885 WUDDXCPUYCFLGX-UHFFFAOYSA-N 451.501 2.194 30 10 JEEE CCOC(=O)c1cc2cc(S(=O)(=O)N(CCC#N)CCN3CCOCC3)ccc2s1 1660028064 IFSGUQHLYMZYPC-UHFFFAOYSA-N 451.570 2.315 30 10 JEEE C#C[C@H](NC(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1)c1ccc(Cl)cc1F 1674036830 WFGSXDOCJAIPJF-IBGZPJMESA-N 450.923 2.333 30 10 JEEE C#CCN(CCOC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1Cc1cnn(C)c1 1690102222 FWDUYLHTNOISFN-UHFFFAOYSA-N 457.579 2.260 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CC(=O)NCC=C)CC1 1690137843 KIXPKAZWGMSVOH-QGZVFWFLSA-N 484.988 2.340 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(CC)cc3)n2CCCN2CCOC2=O)CC1 1690139560 RIEQRDODNVKDSB-UHFFFAOYSA-N 464.570 2.316 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)CC1 1690146063 DXBVOWQDBVGNJL-AZUAARDMSA-N 488.633 2.393 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCc2ccccc2OC)CC1 1690152791 XTNBTNDVBKNHPW-UHFFFAOYSA-N 475.597 2.357 30 10 JEEE C#CCSCCn1c(-c2ccc3ccccc3n2)nnc1N1CCCN(S(C)(=O)=O)CC1 1690165878 MIECWDXOVDHSPC-UHFFFAOYSA-N 470.624 2.331 30 10 JEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 1690180651 IOPJHOTZKUOIFM-GOSISDBHSA-N 460.648 2.144 30 10 JEEE C=CCCCn1c(-c2ccc[nH]2)nnc1N1C[C@@H]2[C@H](C1)[C@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1690478954 PFBRRZFELHUOQU-KBAYOESNSA-N 476.603 2.366 30 10 JEEE C=CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1690481293 ZSTPYZLRTBKJTK-UHFFFAOYSA-N 495.675 2.113 30 10 JEEE C=CCN(c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@]1(O)CCS(=O)(=O)C1)C1CC1 1690537785 SWHYEOZJGDRVDP-QVKFZJNVSA-N 450.536 2.262 30 10 JEEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1 1690643856 ZJRLTZWLVLCEPJ-RDJZCZTQSA-N 453.609 2.496 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](COC(C)C)C1 1690683171 CVHZQZLWSWBQOS-SFTDATJTSA-N 490.626 2.424 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1690692126 RQOUNKPQQXMFGX-XHEFNCKESA-N 459.510 2.124 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H]1c1ccccc1OC 1690723621 WXRCEIOEQYWITR-ZWKOTPCHSA-N 459.572 2.180 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCN1CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1705566123 YNYMUIMSGCQHGY-DENIHFKCSA-N 466.611 2.175 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CCc1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 1705569856 KPROSKCGACLPKH-NRFANRHFSA-N 465.579 2.142 30 10 JEEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccnc(OC2CCOCC2)c1 1705574584 HXMAXLANNRAFFN-VWLOTQADSA-N 465.554 2.004 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC2CCN(C(C)=O)CC2)CC1 1705633984 DXMSWBLROSJCFO-UHFFFAOYSA-N 474.407 2.049 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CC[S@](=O)C(C)(C)C)CC1 1705640203 IOVQKUBTVQMGBT-WEZXKFLESA-N 457.600 2.093 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(C(C)(C)O)cc2)CC1 1705643373 CYHHLMIQPGSDNP-UNMCSNQZSA-N 453.587 2.033 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2cn3ccccc3n2)nnc1N(C)C[C@@H](C)C(=O)NC 1705706037 OTQYVNGAALLOJJ-HMFYCAOWSA-N 451.575 2.316 30 10 JEEE C=C(C)Cn1c(COc2ccc(OC)cc2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1705727712 WDGSASXFCYHTNJ-UHFFFAOYSA-N 496.612 2.382 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1705791948 IYGZVQMTTPVDOE-IBGZPJMESA-N 458.607 2.045 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1705897429 MHIGKZCSWJZUMQ-RDJZCZTQSA-N 482.006 2.387 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1Cc1ccc(-n2cccn2)cc1 1706867938 HTDNNAHLRBBMNL-QGZVFWFLSA-N 468.587 2.252 30 10 JEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ncnc3sccc23)CC1 1722308942 SLKKSOXHXQGADI-INIZCTEOSA-N 488.643 2.023 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC(=O)Nc1c(C)cccc1C)[C@@H]1CCS(=O)(=O)C1 1722359799 BGPMWJXIUOQTKC-GOSISDBHSA-N 466.567 2.155 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1CCc1cccc(OCC)c1)[C@@H]1CCS(=O)(=O)C1 1722360009 BYOIMYFTWFZQBR-LJQANCHMSA-N 466.567 2.003 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CC1(CCC)CC1)[C@H]1CCS(=O)(=O)C1 1722365343 NKMSNQUHWNCGAC-AVRDEDQJSA-N 450.605 2.137 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCNC(=O)C1CC1 1722394582 XDSIFNBDFJSLEO-UHFFFAOYSA-N 471.565 2.225 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCN2CC=CCC2)CC1 1722436914 NEZHGXUAICJKIQ-QFIPXVFZSA-N 483.661 2.410 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@](C)(O)c2cc(C)oc2C)CC1 1722444550 ATNPFXVXLMLZSC-VWLOTQADSA-N 462.554 2.423 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2cc(F)cc(F)c2)CC1 1722566459 RUCWZVYHFZBTPW-LJQANCHMSA-N 467.542 2.288 30 10 JEEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](CC2CC2)C1 1722682743 FSCNHOMHQCAKFK-DJIMGWMZSA-N 468.624 2.204 30 10 JEEE C=CCn1c(N2CCN([C@H](C)C(=O)N3CCCC3)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1722691065 PHFJBRZGNUORSI-AQNXPRMDSA-N 487.649 2.368 30 10 JEEE CN(Cc1ncnn1CC(F)F)c1nnc(-c2ccc(C#N)cc2)n1CCN1CCSCC1 1729449564 IFUNFXQLEWMVTI-UHFFFAOYSA-N 473.557 2.359 30 10 JEEE COC[C@H](Cn1c(COc2ccccc2F)nnc1N1CCN(c2ccc(C#N)cn2)CC1)OC 1730476594 FYOWHOCVNRZCDK-IBGZPJMESA-N 481.532 2.251 30 10 JEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(n2c(O)nc3ccccc32)CC1 1740581183 RFROIJYQJNHIKR-INIZCTEOSA-N 471.587 2.199 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1CC1(N2CCSCC2)CCCC1)[C@H]1CCS(=O)(=O)C1 1740627389 PVAQBFCJORRZOG-FQEVSTJZSA-N 479.716 2.465 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H](C)CN1CCCC1 1740652548 DTBXYXRUAALFGE-FQEVSTJZSA-N 457.582 2.387 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nc(C(F)(F)F)cs1 1740656216 ITERUIKIQXAPKR-ZDUSSCGKSA-N 457.503 2.167 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C(F)(F)F)c1 1740671326 DPIMYBBNKVUKMV-KRWDZBQOSA-N 471.505 2.138 30 10 JEEE C#CCN(CCOC)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc2c(c1)OCCO2 1740688183 NLAUWMASWHDWNO-UHFFFAOYSA-N 467.551 2.175 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(OC(F)F)c(OCC)c2)CC1 1740688922 LPBRAECRXCTKIK-UHFFFAOYSA-N 476.528 2.220 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CC(F)(F)Br)CC1 1740705633 KASOXLOUJYXWND-CQSZACIVSA-N 460.323 2.126 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2Cc2cccnc2OCC(F)F)CC1 1740708706 ZSNNVSKNTSRUNR-UHFFFAOYSA-N 458.513 2.284 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CCOC)[C@@H](C)C1 1740750456 CBJNQLGCNANZRA-ZVDOUQERSA-N 469.590 2.064 30 10 JEEE C=CCC(C)(C)Cn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1740849399 IENGSBMXZBLTDA-UHFFFAOYSA-N 487.674 2.217 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CN(CC)C(=O)OC(C)(C)C)CC1 1740958591 RGAKJPGIBAVCFV-GOSISDBHSA-N 489.621 2.005 30 10 JEEE C=CCOc1ccc(Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CC[C@](C)(C(N)=O)C2)cc1 1740969019 SARKSWGWBWNIQR-WXVUKLJWSA-N 455.559 2.317 30 10 JEEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCC(NC(=O)Nc2ccc(F)cc2)CC1 1740986898 KIJBOECTLHELNY-UHFFFAOYSA-N 450.540 2.117 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](c2ccccc2)[C@H]1C 1740992856 UWJUBQLDXUVCOV-MISYRCLQSA-N 478.640 2.163 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CCO[C@@H](C(F)(F)F)C1 1740994514 RWHQYVFZAUHCDF-MRXNPFEDSA-N 478.468 2.365 30 10 JEEE CCCN1CCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)OC)CC1 1745747361 BKXWQOGPNFNGOS-FQEVSTJZSA-N 467.574 2.492 30 10 JEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1748717845 JXEPYXGCUVSEDR-HOIFWPIMSA-N 463.604 2.087 30 10 JEEE C#CCCCn1c(COc2ccccc2F)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1748760709 CXDWTMBDACFMMP-HXUWFJFHSA-N 454.550 2.152 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1Cc1cnn(C)c1C)[C@@H]1CCS(=O)(=O)C1 1748804658 JQRLTCBFKZHXMB-YLJYHZDGSA-N 486.573 2.274 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Cl)n1C[C@H]1CCCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 1748808670 FUQLCPLKSJXGNQ-IAGOWNOFSA-N 497.042 2.050 30 10 JEEE C#CCN(c1nnc(-c2ccc(OCC)c(OC)c2)n1Cc1cnn(C)c1C)[C@H]1CCS(=O)(=O)C1 1748809391 MGEAIUHVIBIBAX-FQEVSTJZSA-N 498.609 2.069 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCCc1nnc(C)s1)[C@H]1CCS(=O)(=O)C1 1748815363 PPZFERFMJJOINO-KRWDZBQOSA-N 471.612 2.068 30 10 JEEE C#CCN(c1nnc(COc2ccccc2CC)n1CC1(C)COC1)[C@H]1CCS(=O)(=O)C1 1748824248 MLNNCGNFCOTWDU-IBGZPJMESA-N 458.584 2.083 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1748833050 HCTQGOUDHQGVFK-KRWDZBQOSA-N 490.427 2.370 30 10 JEEE C#CCN(CC#CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@]1(O)CCOC1 1748890514 PJZQMWNNZBPFBJ-DEOSSOPVSA-N 457.575 2.007 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CC(C)(C)N1CCc2ccccc2C1 1748948530 QFKYBHZQKHHIAX-UHFFFAOYSA-N 464.614 2.437 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1749006700 XLBPUZNGVQTHNN-GOSISDBHSA-N 484.004 2.218 30 10 JEEE C#CCSCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1749026805 QLXHRCNZRUBFDJ-HXUWFJFHSA-N 473.599 2.059 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1749101316 ABRDLOBNDIQFKX-NWDGAFQWSA-N 452.275 2.195 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](OCC2CC2)C1 1749119469 SJPPWPKMNUREMJ-NBYUQASBSA-N 467.636 2.265 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N(CCO)Cc1ccccc1OC 1749127131 JXTGPLPTOHKXSD-JQVVWYNYSA-N 455.559 2.218 30 10 JEEE COC[C@@H](Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)C[C@@H](C)C#N)OC 1749332368 AHJFMZICUKQJAB-DLBZAZTESA-N 453.547 2.493 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccc(O)cc2C1 1749368219 FIWXNHLZVLEJAY-FQEVSTJZSA-N 475.615 2.482 30 10 JEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2cccc(C)c2)CC1 1749458326 ZDQSWWPZWIUSSV-QFIPXVFZSA-N 473.643 2.404 30 10 JEEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCCN(C(=O)c2ccccc2F)CC1 1749459198 BHKHHEHGBBNUIL-UHFFFAOYSA-N 484.576 2.485 30 10 JEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1749755382 GIHSCVXJBDNNSV-ZWKOTPCHSA-N 450.634 2.446 30 10 JEEE C=CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1749757879 GCJMHBJEOQIPMK-UHFFFAOYSA-N 453.609 2.399 30 10 JEEE C[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCN1CCOC(C)(C)C1)N1CCOCC1 1751121718 DANBQFNDQDAZTC-FQEVSTJZSA-N 467.618 2.084 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cccc(OCC(=O)N(C)C)c1 1760098851 AOYZUFRYQMFZPF-DFBJGRDBSA-N 469.586 2.292 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1Cc1ccc(N2CCOCC2)nc1 1760207706 TVVILDNTZAAXMW-UHFFFAOYSA-N 467.533 2.081 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@H]2CCOC[C@@H]2OC)CC1 1760271121 MRRDHAZAIXCGDP-UPVQGACJSA-N 495.624 2.491 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CSc3ccccc3OC)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1760273344 PRMSJBRTELKISQ-CJAUYULYSA-N 499.637 2.085 30 10 JEEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCCN(CC)C(=O)C1 1760273920 FYHNEWPCMIKODO-UHFFFAOYSA-N 451.394 2.461 30 10 JEEE C#CCSCCn1c(-c2ccccc2Br)nnc1N1CCO[C@H](C(=O)NC)C1 1760278484 WTAVQYOGISZWQP-INIZCTEOSA-N 464.389 2.025 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1760527823 JVPGXHJMTUINAL-UHFFFAOYSA-N 483.548 2.225 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)[C@@H](C)C1 1760532936 JSZBURWPBHYBNU-LVCYWYKZSA-N 475.615 2.316 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc3cccnc23)nnc1N(C)CC(=O)NC(C)C 1760553599 WHMWOHAALBSZHX-UHFFFAOYSA-N 456.572 2.055 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1760555538 HUIWPEZAAFLRPI-RTBURBONSA-N 463.608 2.170 30 10 JEEE CCC(CC)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](C(N)=O)C1)N1CCOCC1 1762158302 IAGSGLHVGNAZTQ-FCHUYYIVSA-N 465.602 2.265 30 10 JEEE Cc1nnc(CCn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CCO[C@H](C#N)C2)s1 1762485962 GAJLGBQBWMBWQQ-QGZVFWFLSA-N 452.544 2.279 30 10 JEEE CCC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(c3cc(C#N)ccn3)CC2)CCC1 1762513659 HMSFIQVVTHHUDX-KRWDZBQOSA-N 472.619 2.062 30 10 JEEE CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)COC)CC1 1766648089 FMWXHXKKNNGEFH-IBGZPJMESA-N 453.591 2.090 30 10 JEEE CCS(=O)(=O)N(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N(C)C[C@H]1CCCOC1 1766698696 ANOJKKVNQSPLOL-LJQANCHMSA-N 460.604 2.351 30 10 JEEE CS(=O)(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(Cc2cscn2)CC1 1771353244 CFTGVZPJJKHFJK-UHFFFAOYSA-N 471.612 2.030 30 10 JEEE N#Cc1ccc(OCc2nnc(N3CCC[C@@H]3[C@@H]3CCCO3)n2CC(=O)NCC(F)F)cc1 1771534583 HGUIYRMDRCRZEN-MSOLQXFVSA-N 460.485 2.258 30 10 JEEE N#C[C@H]1CN(c2nnc(-c3cc(F)ccc3Br)n2CCCN2CCOCC2)CCO1 1771535850 AWQIYMNWDQKENW-INIZCTEOSA-N 479.354 2.298 30 10 JEEE N#Cc1ccccc1S(=O)(=O)N[C@@H]1CCN(S(=O)(=O)c2ccc(Br)cc2)C1 1858314245 JODFINUBWRBSCM-OAHLLOKOSA-N 470.370 2.062 30 10 JEEE CCOC(=O)C1CCN(C(=O)NS(=O)(=O)c2ccc(CNC(=O)c3cccc(C#N)c3)cc2)CC1 1858662200 YLDCCHRQWSPQSC-UHFFFAOYSA-N 498.561 2.162 30 10 JEEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccc2c(c1)OCCO2 1862610509 NBMARMUQMFINOQ-LRTDBIEQSA-N 453.447 2.188 30 10 JEEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccc(N(C)C)cc1 1865723043 GFKHEGYJNVFEBY-LJQANCHMSA-N 483.613 2.321 30 10 JEEE C=CCn1cc(OCC(=O)Nc2ccc(C(C)(C)C)cc2)c(=O)cc1CN1CCN(CCO)CC1 1870597203 QKRFITDUFHORAN-UHFFFAOYSA-N 482.625 2.459 30 10 JEEE C=CCn1c(C(=O)N2CCC(C(N)=O)CC2)cc2c(N3CCN(c4ccccc4)CC3)ncnc21 1873561649 TWYVUUVSYNFPLR-UHFFFAOYSA-N 473.581 2.281 30 10 JEEE COc1ccc(/C=N/n2c(CNC(C)=O)nnc2SCC(=O)NCc2ccccc2)cc1OC 1874436119 NAFWAJOBJRXWSS-LGJNPRDNSA-N 482.566 2.222 30 10 JEEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)c3cc(C(C)(C)C)n4ncnc4n3)CC2)CC1 1889520615 JSWLKPQVLXUXPI-UHFFFAOYSA-N 481.645 2.072 30 10 JEEE CN1CCN(CC#CCOC2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)CC1 1890414832 WZDRZPJHIHOOAK-UHFFFAOYSA-N 460.427 2.414 30 10 JEEE CCN1CCN(CC#CCOC2CCN(C(=O)CCc3nc(-c4ccccc4)no3)CC2)CC1 1890534240 BLRHPYUZGCCGLY-UHFFFAOYSA-N 465.598 2.318 30 10 JEEE CC(C)N1C(=O)CS[C@@H](C(=O)N2CCC(NS(=O)(=O)C3CC3)CC2)[C@@H]1c1ccc(C#N)cc1 1891402095 SEFVFCOMUBIOLB-FCHUYYIVSA-N 490.651 2.025 30 10 JEEE C[C@H](NS(=O)(=O)c1ccc(Oc2ccccc2Cl)cc1)C(=O)NCC#CCN1CCOCC1 1891817120 PQNRXOUPTOLURS-SFHVURJKSA-N 491.997 2.251 30 10 JEEE CC[C@H](CNC(=O)c1nn(C)c(Cl)c1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2255655045 HFFXQDOZOALGSW-GFCCVEGCSA-N 456.780 2.406 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C[C@H](O)C1 2255709030 QMFQBODSCHKYTD-AWEZNQCLSA-N 452.382 2.101 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@H]2NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2255750286 HRQWFAUNRCELGR-SNPRPXQTSA-N 470.422 2.333 30 10 JEEE CSC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)c(C)n1 2256605482 LCLMTBYPQHAZCE-CQSZACIVSA-N 452.386 2.279 30 10 JEEE CN(C[C@@H]1COCCN1C(=O)OC(C)(C)C)C(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2267485710 HLTKKBFPGYBQQH-CQSZACIVSA-N 467.397 2.150 30 10 JEEE CCC[C@H](CNC(=O)c1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C)NC(=O)OC(C)(C)C 2267498539 KWDBZXLTHLBKBV-OAHLLOKOSA-N 450.389 2.451 30 10 JEEE COC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2267539633 MITKXKMNVVSCNK-CQSZACIVSA-N 467.397 2.150 30 10 JEEE C=C(CN(C)C(=O)[C@@H](C)N1CCN(C(=O)OC(C)(C)C)CC1=O)B1OC(C)(C)C(C)(C)O1 2268641443 BDCWIKIAGHJCHF-MRXNPFEDSA-N 451.373 2.100 30 10 JEEE CO[C@H]1C[C@H](C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)N(C(=O)OC(C)(C)C)C1 2268652746 ILJNLFQDJOGXNI-UONOGXRCSA-N 467.397 2.083 30 10 JEEE O=C(O)c1cc(S(=O)(=O)NCCC#CBr)ccc1I 2271453277 LEDMNNHIWAFPKS-UHFFFAOYSA-N 458.071 2.014 30 10 JEEE CC(C)(C)OC(=O)N1CCN(CC2CN(c3cc(B4OC(C)(C)C(C)(C)O4)ccn3)C2)CC1 2280757486 SMPFBBKZVHBLIQ-UHFFFAOYSA-N 458.412 2.370 30 10 JEEE Cc1c(C(=O)NC[C@@H]2C[C@@H](C)N(C(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281795547 QCSJPKGVIKUCFC-ZBFHGGJFSA-N 462.400 2.403 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CC12CCC2 2281927256 XQBRYGZHSYFFDC-OAHLLOKOSA-N 460.384 2.476 30 10 JEEE CC(C)(C)OC(=O)N1CC([C@@H]2CCCN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)C2)C1 2281990512 NYZTYNYLLKEREH-OAHLLOKOSA-N 460.384 2.428 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H]3CC[C@]3(NC(=O)OC(C)(C)C)C2)n1 2281997194 YMFPXVKMWGTMQR-CMJOXMDJSA-N 460.384 2.332 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC(C2(NC(=O)OC(C)(C)C)CC2)C1 2282004866 JGSWNYNAAFEPBY-UHFFFAOYSA-N 460.384 2.157 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC2C[C@@H]3CC[C@H](C2)N3C(=O)OC(C)(C)C)n1 2282045131 UKRCRHGYMXZVHZ-MQVJKMGUSA-N 460.384 2.380 30 10 JEEE Cn1nc(C(=O)N2C[C@@H]3C[C@H]3[C@@H]2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2282045414 WKAPVSQLHPLXIZ-MJBXVCDLSA-N 480.802 2.358 30 10 JEEE CC1(C)OB(c2ccsc2S(=O)(=O)N2C[C@H]3[C@@H](C2)OCCN3Cc2ccccc2)OC1(C)C 2282329385 LQJWWCGIIXSILT-VQTJNVASSA-N 490.456 2.321 30 10 JEEE CN(C[C@]1(O)CCN(Cc2ccccc2)C1)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282340555 HJBBBTVAVCMULT-HSZRJFAPSA-N 492.472 2.305 30 10 JEEE CC1(C)OB(c2cccc(F)c2C(=O)NC[C@H]2CNCCN2Cc2ccccc2)OC1(C)C 2282478628 GWDWKPACZIMWQX-LJQANCHMSA-N 453.367 2.329 30 10 JEEE CC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2282574451 OZYNOTKAKROSQW-WBVHZDCISA-N 462.400 2.485 30 10 JEEE CC(C)(C)OC(=O)N1CCC(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)(C(N)=O)CC1 2282594067 ZKXUXYVPBUFHOG-UHFFFAOYSA-N 479.408 2.032 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CSCCN(C(=O)OC(C)(C)C)C1 2282594113 ZZQHVMDRSKGLBF-OAHLLOKOSA-N 480.440 2.285 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H]2OCCN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)c[nH]3)[C@@H]2C1 2282623759 QVXONYUFTSLVRT-MSOLQXFVSA-N 461.368 2.164 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)NCCc1ccccc1B1OC(C)(C)C(C)(C)O1 2283944934 UMCSCUYUUVJSNE-HKUYNNGSSA-N 460.380 2.015 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N1CCc2cc(B3OC(C)(C)C(C)(C)O3)ccc2C1 2284065550 IUZMRIYRGIROAF-IBGZPJMESA-N 460.380 2.146 30 10 JEEE CC(C)(C)OC(=O)N[C@H](C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1)[C@@H](O)C(F)(F)F 2284131385 ZYHQXVIOCYDQHS-UONOGXRCSA-N 475.273 2.136 30 10 JEEE COc1cccc([C@H]2C(=C(O)c3c(C)n[nH]c3C)C(=O)C(=O)N2CCCN2CCOCC2)c1 2296609540 QNLOSMXEOOONFB-NRFANRHFSA-N 454.527 2.179 30 10 JEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)N1CC[C@H](B2OC(C)(C)C(C)(C)O2)C1 2342471564 ODQLXCDELBTVHT-HOTGVXAUSA-N 472.413 2.105 30 10 JEEE C[C@@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)C[C@@]1(C)CNC(=O)OC(C)(C)C 2362356453 HQNRQIBQCQMQFW-IQMFZBJNSA-N 462.400 2.342 30 10 JEEE Cc1cc(CNC(=O)[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)cc(B2OC(C)(C)C(C)(C)O2)c1 2369686058 QCIORROXNODHPJ-DEOSSOPVSA-N 460.380 2.282 30 10 JEEE CCOc1ccc(CCNC(=O)Cc2ccc(/N=C3\N[C@H]4CS(=O)(=O)C[C@@H]4S3)cc2)cc1 9530049 QUPCSLYLOKTBHH-SFTDATJTSA-N 473.620 2.476 30 10 JEEE C=CCNC(=O)CN1CCN(C(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)CC1 25996666 FDYGMLHDIBGNBQ-UHFFFAOYSA-N 483.491 2.276 30 10 JEEE Cc1c(/C=C2\SC(=S)N(C3CCCC3)C2=O)c(N2CCN(C)CC2)n(C)c(=O)c1C#N 33386063 CFUGZRPPPCCNBU-PDGQHHTCSA-N 457.625 2.461 30 10 JEEE O=[N+]([O-])c1cccc(-c2nn(-c3ccccc3)cc2C=NNC(=S)N[C@H]2CCS(=O)(=O)C2)c1 254893695 CEPDNYZBGLJOKT-KRWDZBQOSA-N 484.563 2.433 30 10 JEEE Cc1ccc(F)c(-n2c(=C(C#N)C(=O)NCc3ccco3)sc(=Cc3cnn4ccccc34)c2=O)c1 729669548 QJVSKNKNYKOAIN-UHFFFAOYSA-N 499.527 2.407 30 10 JEEE C#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)O 757247927 HBMHZCKGOUCVFC-GOTSBHOMSA-N 472.501 2.452 30 10 JEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC(C(=O)N3CCc4ccccc43)CC2)c1 920812068 AJYFVSBZBUTLTG-UHFFFAOYSA-N 451.548 2.040 30 10 JEEE CCc1nnc(CNC(=O)CSc2n[nH]c(NN=Cc3cc(Br)ccc3O)n2)o1 1084373312 SSBLAWBZNVZCMA-UHFFFAOYSA-N 481.336 2.073 30 10 JEEE C=CCOc1ccccc1CN(C(=O)C1(OC)CS(=O)(=O)C1)c1ccc2c(c1)OCCO2 1124426027 PLRRRNZCGOQLIN-UHFFFAOYSA-N 459.520 2.369 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCOc1ccccc1C(C)C)[C@H]1CCS(=O)(=O)C1 1286380979 KNMFXIVTARFXKQ-IBGZPJMESA-N 487.626 2.245 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1CCc1ncc(CC)s1)[C@H]1CCS(=O)(=O)C1 1286387900 WINFSUVGNUDRSM-KRWDZBQOSA-N 456.597 2.228 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCC(=O)N1CCCCCC1)[C@H]1CCS(=O)(=O)C1 1286388374 OBBHGYOKTZWLSH-NRFANRHFSA-N 499.637 2.373 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@H]2CC=CCO2)CC1 1286488240 LRPSOAUGLQUMAA-HXUWFJFHSA-N 495.580 2.282 30 10 JEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(F)c(OC)c2)CC1 1286504587 OIJZKFBNPRTMIR-GOSISDBHSA-N 458.563 2.070 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1286565883 QFKFJTPEDHJGNG-XAUMDUMWSA-N 480.660 2.085 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC([C@@H](O)c2ccc(F)cc2)CC1 1286592453 GGAABTJXGQITGE-RTWAWAEBSA-N 493.605 2.276 30 10 JEEE C=C(C)COCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C(=O)NCC)CC1 1286604482 LMCQFILWKIDZCO-UHFFFAOYSA-N 458.563 2.407 30 10 JEEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CC(=O)N(c2ccccc2)C1)C1CC1 1286732331 PWUJFCANNHVGEA-IRXDYDNUSA-N 458.588 2.096 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCOC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1286739983 AJVYLYBECWPBAC-VQTJNVASSA-N 475.615 2.265 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)N1CCOCC1 1286745145 QIFMVCQBTGEUST-ICSRJNTNSA-N 477.606 2.233 30 10 JEEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1286825330 PMOPCPQIGFUXBO-UHFFFAOYSA-N 463.677 2.437 30 10 JEEE C=CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1286830023 IMGGFSRRERXDHL-INIZCTEOSA-N 488.639 2.125 30 10 JEEE C=CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1286831282 XINUURMHNYPJFR-HNNXBMFYSA-N 467.617 2.329 30 10 JEEE CC(=O)NC[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(C(N)=O)CCCC2)C1 1286925231 CEWVVNGLWWDIBV-FQEVSTJZSA-N 479.585 2.127 30 10 JEEE CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)NC(=O)OC(C)(C)C)CCO1 1299137373 FNAAZIQHQYPWSS-GOSISDBHSA-N 483.573 2.071 30 10 JEEE C#CCCCn1c(Cc2ccccc2OC)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1300412808 IDEAAPLYLABSRG-LJQANCHMSA-N 450.587 2.080 30 10 JEEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(Oc2cccc(F)c2)nc1 1300430137 HZPOEZUNUXOJTQ-OAHLLOKOSA-N 458.519 2.332 30 10 JEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCOc1ccc2c(c1)OCO2 1300466618 YSEWNKIBANYNCJ-SFHVURJKSA-N 485.541 2.464 30 10 JEEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H](COC)C1 1300742847 CCFOWPVPMHGPOZ-KRWDZBQOSA-N 463.629 2.035 30 10 JEEE C=CCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)Nc2cccc(C)c2C)CC1 1301428924 FFPMVMBDUUCRNA-UHFFFAOYSA-N 451.575 2.078 30 10 JEEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 1301595171 OYKKWUCNJKWPNG-QZTJIDSGSA-N 498.719 2.282 30 10 JEEE Cc1nn(C)c(N2CCN(c3nnc(C)n3C[C@H](C)CN(C)C(=O)OC(C)(C)C)CC2)c1C#N 1304730501 GBSPLSYUXBSBJU-MRXNPFEDSA-N 471.610 2.330 30 10 JEEE CCNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)CN2CCCC2)CC1 1313995835 GUIWNWFYTMECFZ-LJQANCHMSA-N 450.591 2.400 30 10 JEEE CN(CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(N2CCNC2=O)CC1)CC(F)(F)F 1314861574 BHAUDKJMQMYSND-UHFFFAOYSA-N 476.507 2.305 30 10 JEEE Cn1ncc(CCCn2c(CNC(=O)c3cccs3)nnc2N2CCC(CC#N)CC2)n1 1314932410 ANZSHTBGBCHGRS-UHFFFAOYSA-N 453.576 2.161 30 10 JEEE COCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)C1CCC(NC(C)=O)CC1 1316069097 CIBXVBOCYKKPJW-UHFFFAOYSA-N 453.591 2.278 30 10 JEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1358913199 IISVJSVJPRITAJ-VQTJNVASSA-N 459.620 2.109 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1CCC(=O)NC1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1358963287 FOOUXBHIXZRULA-LJQANCHMSA-N 463.648 2.332 30 10 JEEE C#CCN(CC#CC)c1nnc(COc2ccc(C#N)cc2)n1CCN1CCN(C)C(C)(C)C1 1358997704 BHEHCUORYSQWPZ-UHFFFAOYSA-N 459.598 2.218 30 10 JEEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2CC2(C(=O)NCC)CCC2)CC1 1359038087 KGGMHLUNRRLPHM-UHFFFAOYSA-N 450.587 2.227 30 10 JEEE C#CCSCCn1c(-c2ccccc2Cl)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1359053365 KUAIBSGXTFBCEV-KRWDZBQOSA-N 458.975 2.438 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CCOC)C(=O)C1 1359102748 FIVNLIDOTBWBQZ-HYBUGGRVSA-N 480.569 2.005 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2ccsc2)CC1 1359133307 OTFIBFCAHBPNLT-LJQANCHMSA-N 465.645 2.157 30 10 JEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1359227600 FXSLAZPOYQPPTN-OAHLLOKOSA-N 464.510 2.121 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 1359299019 RPCLIOSBLPODLV-UHFFFAOYSA-N 463.542 2.251 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1359332372 WBSLWZVKCQKRKQ-IAGOWNOFSA-N 467.617 2.116 30 10 JEEE CC(=O)N1CCN(c2nnc(C(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CC12CCCCC2 1359382323 GMTASNXOMZTIEX-LSDHQDQOSA-N 469.590 2.299 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1359466732 GSZVSHHHEHZJDR-IXDOHACOSA-N 464.567 2.435 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCOc3ncc(Br)cc32)ccc1F 1435845880 NHFWDMNIPVYRDN-UHFFFAOYSA-N 456.293 2.487 30 10 JEEE C=CCn1cc(CNC(=O)c2cc(S(=O)(=O)NCC(C)C)ccc2Br)nn1 1451883716 VASRWKBLTCBAHY-UHFFFAOYSA-N 456.366 2.091 30 10 JEEE COC(=O)C1(C#N)CCN(C(=O)Nc2cc3c(cc2N2CCCCC2)n(C)c(=O)n3C)CC1 1476485449 HMWUAEIZTGOAJR-UHFFFAOYSA-N 454.531 2.178 30 10 JEEE CCOCC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1502986990 CJSIEGDTIGWPAM-UHFFFAOYSA-N 481.601 2.454 30 10 JEEE C#CCN(c1nnc(COc2cc(C)ccc2C(C)C)n1CCC(=O)NC)[C@@H]1CCS(=O)(=O)C1 1507640570 TVMBVJSKVQAEQD-LJQANCHMSA-N 487.626 2.052 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@H]1CCCCS1(=O)=O 1507653581 RVETXBFKRMKAKH-IBGZPJMESA-N 492.605 2.105 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1Cc1cccc(CN2CCO[C@H](C)C2)c1 1507710100 INYNEERRPSRTSZ-HXUWFJFHSA-N 463.586 2.034 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(Cl)c3)n2CCCN2CCN(CC)CC2)CC1 1507718497 PZJNFJYOGGRWCI-UHFFFAOYSA-N 456.038 2.381 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H](c2cccc(F)c2)N(C)C)CC1 1507721172 ZKOLZODICUKJRL-RCZVLFRGSA-N 470.593 2.127 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2Cc2c(C)nn(C)c2C)CC1 1507740598 CHPUENANVYPERX-UHFFFAOYSA-N 479.560 2.361 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(=O)COC)CC1 1507809398 UYCQWHNRJVKDPM-KRXUUXHPSA-N 475.634 2.473 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@](C)(OC)CC1 1508073126 MDCRILYYCHGAKO-JOCHJYFZSA-N 461.588 2.046 30 10 JEEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CC=C(C(F)(F)F)CC1 1508091393 KZZRYJPJMSTNBO-UHFFFAOYSA-N 454.478 2.271 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCCC2 1508132563 ZQDPYZPOSZNVSM-RBUKOAKNSA-N 479.647 2.289 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@@H](C(=O)NC)C1 1508135106 JVCIYCLXCGLRJL-MRXNPFEDSA-N 483.541 2.110 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1508143376 GQABSHOEQSUZIG-SFHVURJKSA-N 465.645 2.272 30 10 JEEE CC(=O)N1CCC[C@H](Cn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N(C)C[C@H](C)C#N)C1 1508209350 BQPJRGDTMVLIAS-MJGOQNOKSA-N 487.630 2.050 30 10 JEEE C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(Cc2ccccc2)CC1 1509951522 HDLSPSSZCAHHAG-UYAOXDASSA-N 472.615 2.372 30 10 JEEE CO[C@H](C)Cn1c(COc2ccc(C)cc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1517778734 CPGZOHMYIVZYSC-GOSISDBHSA-N 464.574 2.441 30 10 JEEE Cc1cc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)ncc1C#N 1530234465 HDKMUYOIOOZMSN-UHFFFAOYSA-N 456.524 2.462 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2occc2C)c1 1539043394 PYJQHHWDBYUCRX-SFHVURJKSA-N 467.551 2.186 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCOc1cc(C)cc(C)c1)[C@H]1CCS(=O)(=O)C1 1539219158 BEZAYBPPMACLKW-UXHICEINSA-N 458.584 2.105 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1Cc1cc(OC)c(OC)c(OC)c1 1539563131 HIPFXJGJFIMHDF-XMMPIXPASA-N 453.543 2.467 30 10 JEEE C=CC[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(OCC(N)=O)CC1)c1ccccc1 1539947221 HWEPXWWSTDTOTG-VQTJNVASSA-N 487.626 2.011 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1c1ccc(OCC)cc1 1540871657 QFJQRKPZAFXCLQ-UYAOXDASSA-N 473.599 2.223 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N(CC)[C@@H]2CCS(=O)(=O)C2)cc1 1540876978 HQEHCYNZSZWIRI-GOSISDBHSA-N 461.588 2.043 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1540903627 DLXNYXVRWLEFOG-IERDGZPVSA-N 481.644 2.009 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCC(CC(=O)N3CCCC3)CC2)nnc1C(C)(C)C 1540908252 DOVNGZQCNSTUOE-UHFFFAOYSA-N 451.637 2.405 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCOC[C@H](C3CCC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1540908961 SPRGZAUFXGTSSO-OFNKIYASSA-N 482.647 2.172 30 10 JEEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 1547312774 CVYLWBYOEKIEMS-LJQANCHMSA-N 452.559 2.317 30 10 JEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1587823712 WJGFRUNTMKPLDW-XMMPIXPASA-N 487.626 2.383 30 10 JEEE C#CCCCn1c(-c2ccccc2Br)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1587834939 JCGJWJWQILOMIN-UHFFFAOYSA-N 485.386 2.048 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CSCCS1)[C@@H]1CCS(=O)(=O)C1 1588034565 IPAKTSNUQQPUPC-QZTJIDSGSA-N 493.636 2.329 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CCCCCS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 1588041132 UYHDNDJJPRVFDP-IBGZPJMESA-N 499.058 2.440 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1588069488 PBBSRRCVWBQKPV-NLFFAJNJSA-N 497.621 2.297 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 1588228985 OJNCXSXEQDPDJN-PMACEKPBSA-N 489.642 2.290 30 10 JEEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1cc(F)ccc1N1CCOCC1 1588262473 FHLCHPSICWLGDM-UHFFFAOYSA-N 463.517 2.409 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCOC3)n2C[C@@H]2CC(F)(F)CO2)n1 1588723647 OFFYKRKUGVUBGD-HKUYNNGSSA-N 464.517 2.079 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3OCC)n2CC2([S@](C)=O)CCC2)CC1 1588872220 ZOAPEYXEVIFEOY-XIFFEERXSA-N 471.627 2.312 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cccc(CS(C)(=O)=O)c2)CC1 1594236554 FHQJYFISICBFGO-HXUWFJFHSA-N 478.640 2.176 30 10 JEEE C=CC[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1CCOC1)c1ccccc1 1594545187 RHZAQNJFZWCVHH-HKBOAZHASA-N 475.615 2.196 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1595823762 SEKKXAAUBOJXEU-RTBURBONSA-N 476.555 2.189 30 10 JEEE C#C[C@@H](NC(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1)c1ccc(Cl)cc1F 1623825783 PFGJTXGWCTWBCI-GOSISDBHSA-N 451.907 2.067 30 10 JEEE N#Cc1ccc(N2CCC[C@H](NS(=O)(=O)c3ccc(OCC(F)(F)F)nc3)C2=O)cc1 1668544382 FDPIRIXDILPJCI-INIZCTEOSA-N 454.430 2.368 30 10 JEEE COc1ccc(C2(CNC(=O)N3CCN(c4nccnc4C#N)C[C@@H]3C)CCOCC2)cc1 1683083840 CWXGPXRYWPDHBF-SFHVURJKSA-N 450.543 2.325 30 10 JEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2cccc(OC)c2)C1 1689876992 OCLNUNUEZCVTSY-FXAWDEMLSA-N 461.588 2.278 30 10 JEEE C#CCCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCNC(=O)[C@H]1CC 1689877496 ZZLPCMHZUJAQJI-QGZVFWFLSA-N 457.604 2.065 30 10 JEEE C#CCN(c1nnc(CC)n1C[C@@H](c1cccc(OC)c1)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1689992458 LAHORXOEUQNXMQ-UNMCSNQZSA-N 471.627 2.313 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1ccccc1COCC)[C@@H]1CCS(=O)(=O)C1 1689993953 OEYGISIQZAMRII-HSZRJFAPSA-N 479.606 2.475 30 10 JEEE C#CCN(CC#CC)c1nnc(COc2ccc(Br)cc2)n1CCNC(=O)c1cc[nH]n1 1690053757 HWKYRLLSYPPUSS-UHFFFAOYSA-N 496.369 2.236 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)ccc3Br)n2CC(C)(C)C(=O)NC)CC1 1690114681 CSDWAXYRDBTFTE-UHFFFAOYSA-N 489.418 2.244 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc4c(s3)CCCCC4)n2CC(=O)N(C)C)CC1 1690139546 QZUNPDHXIWIGBK-UHFFFAOYSA-N 468.627 2.330 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2OC)nnc1N1CCN(CC(=O)NCC)CC1 1690244519 YKWHRKBUNZRWKV-CVDCTZTESA-N 468.602 2.193 30 10 JEEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1690299023 BKVARZSEFMXKMZ-PXNSSMCTSA-N 479.578 2.228 30 10 JEEE C=C(C)COCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2cnccn2)CC1 1690319515 POOASKQRPYPOBG-UHFFFAOYSA-N 460.542 2.438 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1ccccc1)N(C)C)C1CC1 1690545641 VTZCRERYFHMZFF-RTWAWAEBSA-N 474.631 2.069 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCN1CC 1690565912 XJFGCZGYOZLXLH-VXKWHMMOSA-N 488.658 2.288 30 10 JEEE C=CCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCO[C@@H](COC(C)C)C1 1690648292 VWGPDUJLFAOEEF-HSZRJFAPSA-N 454.619 2.459 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N(C)CC(=O)N1CCOCC1 1690664577 YCLZFNBTWRYWKN-UHFFFAOYSA-N 498.584 2.410 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1690673311 SVOOZKZDNUOZES-LJQANCHMSA-N 468.602 2.311 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 1690715854 WKCOJAVIROAXOT-KRWDZBQOSA-N 463.579 2.494 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCO[C@@](C)(CC)C1 1690723023 FGNUYAVGIZUPFU-QFIPXVFZSA-N 472.571 2.200 30 10 JEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2ccccc2OC)CC1 1690747002 QOPIAMIGPMSPMI-HXUWFJFHSA-N 491.683 2.430 30 10 JEEE CCOC(=O)N[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCOC2=O)C1 1695973633 FAIPOMYJRYCZAX-IBGZPJMESA-N 497.556 2.286 30 10 JEEE CCOC1CC(O)(Cn2c([C@@H](C)CC)nnc2N2CCN(c3nccnc3C#N)C[C@H]2C)C1 1696194223 GYPXVUICKYJNIT-RXSOGCBNSA-N 454.579 2.098 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCN(C(C)=O)C1 1705495633 SICCSOSOAMLEHR-YSIASYRMSA-N 474.606 2.303 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccnc2)n1C[C@@H]1C[C@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1705579882 XHNBLUCFUQAXNC-PCCBWWKXSA-N 462.554 2.437 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)OC(C)(C)C)CC1 1705646699 NSUDPRBPYZOJBR-UHFFFAOYSA-N 477.569 2.307 30 10 JEEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(Cc2cc(C)no2)CC1 1705739558 KNTDCTZZXYUSHI-UHFFFAOYSA-N 454.579 2.351 30 10 JEEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1705772135 JPDNEDVCCOMWRW-FQEVSTJZSA-N 452.964 2.217 30 10 JEEE C=CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1705801403 DQDDALPUSIBNRW-LJQANCHMSA-N 487.630 2.108 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2CC(=O)NC(C)C)C1 1705915552 FDYHEKSYMHMPQK-OAHLLOKOSA-N 451.369 2.352 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCN(c2ncnc3ccsc23)CC1 1705935061 FWARKQPRBDOEHI-UHFFFAOYSA-N 475.644 2.409 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@H]2C[C@H]1CO2 1705936187 LHANDXCQSGNVQY-QYZOEREBSA-N 495.646 2.361 30 10 JEEE CCO[C@@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2Cc2ccc(OCCN(C)C)cc2)CCOC1 1710456454 BFYFNUZRSYRCMY-RPWUZVMVSA-N 472.565 2.361 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1cc(Br)ccc1F 1722277680 OHQWZTMXAFSUFV-OLZOCXBDSA-N 472.384 2.491 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2Cc2ccnc(-n3cccn3)c2)c1 1722306157 OREIASVQCICEBG-UHFFFAOYSA-N 497.563 2.102 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2ccco2)C1 1722588219 NFARNLNDUBJDPJ-OALUTQOASA-N 479.603 2.384 30 10 JEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccc(Cl)nc2C1 1722616983 FPMSZNAGMIBSCI-KRWDZBQOSA-N 466.995 2.188 30 10 JEEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1CCCN(C(C)=O)C1 1722633325 SHUBQLUAVFUNTK-SFHVURJKSA-N 459.620 2.427 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@@H](c2ccnn2C)C1 1722695154 VHUMEJXGTVCNFF-QGZVFWFLSA-N 465.558 2.382 30 10 JEEE C=CCSCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCO[C@H](C(=O)NC)C1 1722738430 JKGXALXIJYPSPG-ROUUACIJSA-N 494.662 2.263 30 10 JEEE CC(=O)N1CCC[C@@H](Cn2c(CNC(=O)c3cccs3)nnc2N2CCC(C#N)CC2)C1 1722767059 DRJWNBFDHYRJSL-GOSISDBHSA-N 455.588 2.268 30 10 JEEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2CCN(C(C)=O)CC2)C[C@H](C)O1 1730608660 DXDIMDKUKMCPAD-MBSDFSHPSA-N 482.585 2.227 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)(C)c1ccc2c(c1)OCCO2 1740532506 HGWLZZVXGMWAQE-HZPDHXFCSA-N 461.588 2.095 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H](C)CN1CCOCC1 1740562916 OZZNZISFCOTWOF-WCIQWLHISA-N 460.623 2.475 30 10 JEEE C#CCCCn1c(-c2ccc(Br)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1740581817 FIGAMYCFTOLXMP-UHFFFAOYSA-N 459.392 2.331 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1cc(OC)ccc1OC(F)F)[C@@H]1CCS(=O)(=O)C1 1740626226 KKLBXAFVGVFMHZ-DOTOQJQBSA-N 496.536 2.067 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@](C)(O)CCC)[C@@H]1CCS(=O)(=O)C1 1740629075 ZXUMUFCCKKRXEU-AUSIDOKSSA-N 460.600 2.343 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1740642930 ZUQDLKNAGQFMPT-GOSISDBHSA-N 455.488 2.474 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1c(Cl)c(C(F)(F)F)nn1C 1740656629 MCZRVNVHNBRTSI-ZDUSSCGKSA-N 488.923 2.097 30 10 JEEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 1740680029 PLHSTMLTRMBBQD-SOUVJXGZSA-N 451.515 2.268 30 10 JEEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1740713693 OXLXVCWQVCNRLS-UHFFFAOYSA-N 469.036 2.220 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C[C@H]2CCCO2)CC1 1740752581 YEUBMUCGQIFIHU-FCEUIQTBSA-N 474.650 2.479 30 10 JEEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1740794139 QOFJQHAAKQPHDU-HSZRJFAPSA-N 453.635 2.461 30 10 JEEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cccnc1N1CCOCC1 1740899580 DORWFAIZCGHQDL-FQEVSTJZSA-N 499.616 2.489 30 10 JEEE C=CCNC(=O)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N(C)[C@@H](C)CC(N)=O 1740953112 VXPWUFDBPSXFAQ-AWEZNQCLSA-N 453.572 2.379 30 10 JEEE C=CCOc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@H](CNC(C)=O)C2)cc1 1740967233 AHTKABDDOHIERG-RTWAWAEBSA-N 487.626 2.146 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(CN2CCC(O)CC2)cc1 1741134444 AQUGUELCSCIJHU-IBGZPJMESA-N 465.602 2.001 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN(C(=O)OC(C)(C)C)C1CC1 1741802001 DQHRRSFUTPYIKV-HOTGVXAUSA-N 466.608 2.318 30 10 JEEE CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCn2cc(C)cn2)CC1 1743905413 DDRKYJQZRFVJEE-FQEVSTJZSA-N 475.601 2.059 30 10 JEEE CCCN1CCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1745741574 BAWWYIWPFVEKJV-FCHUYYIVSA-N 451.575 2.032 30 10 JEEE CNC(=O)[C@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCOC[C@@H]2C)C1 1748143005 CFTBMGARSWRODI-RGZWJVDOSA-N 452.559 2.364 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC(=O)NCc1ccco1 1748664017 BYXOOOYSIPOQGF-MRXNPFEDSA-N 459.510 2.042 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](C)Oc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1748801861 IDCJYKWLSPADBJ-RTBURBONSA-N 494.577 2.020 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCN1CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1748810159 ZQQUCIIPDHKAHS-FPOVZHCZSA-N 471.627 2.312 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1748810504 XEQHEAUPQGNPHN-NVXWUHKLSA-N 466.007 2.184 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(OCC)cc3)n2C[C@H](C)N2CCOCC2)CC1 1748977826 KEODJDJQMDDNIJ-FCHUYYIVSA-N 482.629 2.293 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccc(F)cc2F)CC1 1749001051 FPGYIWTUOQHDNL-UHFFFAOYSA-N 472.540 2.489 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(OC)c(Cl)c2)CC1 1749001457 RRKLJZIJRIXUFL-RXVVDRJESA-N 459.978 2.468 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CC)C[C@@H](O)c1ccc(C)cc1 1749038470 KIJOYDIQGNLWDD-VQTJNVASSA-N 462.641 2.415 30 10 JEEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](c2cccc(C)c2)C1 1749038845 XWSRDOUQWAPXMS-SFTDATJTSA-N 489.667 2.280 30 10 JEEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1749285795 XQELUQSGGKERIP-WMZOPIPTSA-N 452.987 2.481 30 10 JEEE C=CCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1749351836 AMOXIVXNMFORLC-UHFFFAOYSA-N 456.595 2.452 30 10 JEEE C=CCCOCCn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1749447470 FLINTOBEVITINC-OAQYLSRUSA-N 455.559 2.374 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cnn(C)c1 1749532714 WUBVCAJSSGIBKC-FQEVSTJZSA-N 451.556 2.026 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1CCOC1=O 1749554519 UMJBKVLFUSDKMI-MRXNPFEDSA-N 465.601 2.277 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cnc(C)s1 1749590969 KEITUSSACVEZCG-LJQANCHMSA-N 492.627 2.252 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@]2(O)CCO[C@@H]2C)C1 1749697769 NIIQWPMHDNWFER-AKCHCHLHSA-N 466.380 2.367 30 10 JEEE Cc1nn(C)c(N2CCN(c3nnc(C(=O)NC(C)C)n3Cc3c(F)cccc3Cl)CC2)c1C#N 1751827269 GKJKJFYFDCLQHH-UHFFFAOYSA-N 499.982 2.497 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2C[C@H]2CC(F)(F)CO2)c1 1760125146 FZLKLRSBZPMXKP-GOSISDBHSA-N 455.469 2.159 30 10 JEEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1760132006 BKORAJBWARRJNN-FQEVSTJZSA-N 471.627 2.311 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1CC[C@H](OCC)C1CCCC1)[C@@H]1CCS(=O)(=O)C1 1760188635 LFUAERODNRARMK-CTNGQTDRSA-N 472.615 2.347 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H](C)Oc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1760190856 ZZQLEFZBENUUJD-AZUAARDMSA-N 481.578 2.443 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@]1(N(C)C)CCSC1 1760241380 YFBBSKZAYALREL-AUSIDOKSSA-N 456.591 2.445 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2C[C@@H](C)CN2CCN(CC)CC2)CC1 1760269155 AKNWCCVLJNJQOX-NRFANRHFSA-N 471.694 2.106 30 10 JEEE C=C(C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCO[C@H](CNC(C)=O)C1 1760345793 UOIOBJQLAVEZDF-RTBURBONSA-N 462.595 2.310 30 10 JEEE C=C(Cl)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@](C)(C(=O)NC)C1 1760367281 GMWGVOVEDNGIJW-FQEVSTJZSA-N 466.011 2.262 30 10 JEEE C=C(Cl)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@@H](CC(N)=O)C1 1760367334 HOVIKNFZRYJBFR-HNNXBMFYSA-N 466.011 2.391 30 10 JEEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1Cc2ccccc2[C@H]1C 1760449977 APIXMLNWQNYLLK-XLIONFOSSA-N 461.588 2.285 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C)c(Br)c2)nnc1N(C)CCN1CCOCC1 1760519217 WJYYQOWTVCFZBZ-UHFFFAOYSA-N 477.407 2.087 30 10 JEEE C=CCSCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1760562185 ZRVDSUFKPFTCBQ-UHFFFAOYSA-N 495.657 2.497 30 10 JEEE CCn1cc(CN(C)c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCS(=O)(=O)C2)cn1 1765319212 ASDSCMDYQPBBHF-SFHVURJKSA-N 469.571 2.016 30 10 JEEE CO[C@@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1768015815 AGIMTRFVGXDAJO-INIZCTEOSA-N 461.526 2.393 30 10 JEEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCC(C#N)CC3)n2C[C@@](C)(O)C2CC2)c1 1768523275 FOCQCOYEDQROQR-JOCHJYFZSA-N 458.588 2.096 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@H](OC)C1 1772660110 JUMQYOSTBWAVCH-KRWDZBQOSA-N 450.561 2.178 30 10 JEEE C=CCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CC(=O)N(c2ccc(C(=O)OCC)cc2)C1 1861607906 BWSNROPORIUJDO-UNMCSNQZSA-N 463.534 2.246 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCO)[C@@H]2c2ccc3c(c2)OCCO3)cc1OC 1862573643 HROXOZSGLRRVAM-OAQYLSRUSA-N 455.463 2.436 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NC[C@@H]2CCCO2)cn1CCN(CC)CC 1870544371 KOYMUNWQWGSTON-QFIPXVFZSA-N 460.619 2.038 30 10 JEEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)c3cn(C)nc3-c3ccccn3)CC2)CC1 1889495209 KJHRAAIFMXWTML-UHFFFAOYSA-N 464.614 2.133 30 10 JEEE CC(C)N1C(=O)CS[C@@H](C(=O)NCC2(O)CSCCSC2)[C@@H]1c1ccc(C#N)cc1 1889980178 LWHUDKKZHCJLJZ-RBUKOAKNSA-N 465.666 2.279 30 10 JEEE N#Cc1cccc(S(=O)(=O)N2CC[C@@H](COc3ccc4nnc(C(F)(F)F)n4n3)C2)c1 1890307777 YWGJDNBVPHEIIQ-CYBMUJFWSA-N 452.418 2.104 30 10 JEEE CN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1)[C@@H]1CC[C@H]1NC(=O)OCc1ccccc1 2247826166 PFSQOKVIRWWNSY-SJLPKXTDSA-N 454.336 2.238 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CC[C@H]1NC(=O)OCc1ccccc1 2255635517 HPFXYDCTFHXUMY-ZWKOTPCHSA-N 468.363 2.215 30 10 JEEE Cc1cc(C(=O)N[C@@H]2COC[C@@H]2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2255635636 JEDPJOBVTQYUAC-CABCVRRESA-N 452.382 2.378 30 10 JEEE CC1(C)OB(c2ccc(C(=O)N[C@@H]3COCCN(C(=O)OCc4ccccc4)C3)o2)OC1(C)C 2255844645 ABVCMQXDCDLLLC-SFHVURJKSA-N 470.331 2.346 30 10 JEEE CC(C)(C)OC(=O)N1CCN(c2nccc(B3OC(C)(C)C(C)(C)O3)c2F)C[C@H]1CCO 2266058548 PBSOWWNRZBMKAN-OAHLLOKOSA-N 451.348 2.328 30 10 JEEE CCON(CCNC(=O)OC(C)(C)C)C(=O)c1cn(CC)c(B2OC(C)(C)C(C)(C)O2)n1 2267184482 NBFMIFYGCLUESD-UHFFFAOYSA-N 452.361 2.121 30 10 JEEE C[C@@H](CCN(C)C(=O)OC(C)(C)C)NS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2267358122 CKPJVLJTYSEIBW-HNNXBMFYSA-N 469.413 2.305 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1CO 2267487261 NZRYBTWUUJHJCO-RHSMWYFYSA-N 466.409 2.395 30 10 JEEE Cc1c(C(=O)N(C)[C@H](C)CCNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267528803 URLMDRPDCLZJBW-CQSZACIVSA-N 450.389 2.403 30 10 JEEE CC(C)(C)OC(=O)N1CCSC(C)(C)[C@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2268702417 VGMZFOAMDYTPDI-GFCCVEGCSA-N 484.453 2.329 30 10 JEEE Cc1cc(C(=O)NC[C@@]23C[C@@H](CO2)N(C(=O)OC(C)(C)C)C3)oc1B1OC(C)(C)C(C)(C)O1 2281961268 KQPDMQVJDYYEHA-NPMXOYFQSA-N 462.352 2.395 30 10 JEEE CN(C[C@@H](O)CN(C)C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Cl)C(=O)OC(C)(C)C 2282016497 YNVXZNRCQIUPMD-HNNXBMFYSA-N 483.802 2.334 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](C(=O)O)N(C(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)C1 2282528088 MPGQAQZNLYQVPL-OCCSQVGLSA-N 481.380 2.025 30 10 JEEE CC(C)(C)OC(=O)N1CCN([S@@](C)(=O)=NC(=O)c2occc2B2OC(C)(C)C(C)(C)O2)CC1 2282528731 WMAOSWOQYXRLOG-XIFFEERXSA-N 483.396 2.285 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)C[C@]12CCOC2 2282632042 GAUYJXYHOVGEFZ-CMJOXMDJSA-N 462.352 2.477 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@]2(COCCN2C(=O)[C@H]2C[C@@H]2B2OC(C)(C)C(C)(C)O2)C1 2282650524 NTWGTNXTGYXZSM-QQMNAOGKSA-N 466.384 2.334 30 10 JEEE CN(C(=O)OC(C)(C)C)C1CCN(S(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CC1 2282869035 WHNCUCUKXKGCHV-UHFFFAOYSA-N 481.424 2.401 30 10 JEEE CC(C)(C)OC(=O)N1CCN(c2ccc([N+](=O)[O-])c(B3OC(C)(C)C(C)(C)O3)c2)[C@@H](CO)C1 2282939041 YCMRFDAQUXWOJV-MRXNPFEDSA-N 463.340 2.312 30 10 JEEE CC(C)(C)OC(=O)N[C@]12CCC[C@H]1CN(C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)C2 2283070104 UWNHQBMPEVDIOF-WNSKOXEYSA-N 458.368 2.295 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1COC[C@@H]1C(=O)N1CCc2sc(B3OC(C)(C)C(C)(C)O3)cc2C1 2284040706 NPLIVCFTRUJDPW-HOTGVXAUSA-N 478.420 2.472 30 10 JEEE C[C@H](NC(=O)[C@H]1CC[C@H](O)CN1C(=O)OC(C)(C)C)c1nscc1B1OC(C)(C)C(C)(C)O1 2284062993 OINFBZJSLWDQOR-OFQRWUPVSA-N 481.424 2.380 30 10 JEEE CN(C)CC1(Oc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)CN(C(=O)OC(C)(C)C)C1 2343826342 LFRGDKJQKWYCJS-UHFFFAOYSA-N 451.348 2.450 30 10 JEEE Cn1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@@H]3CNC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2359268602 XXHRBKQDSSIVGA-INMHGKMJSA-N 460.384 2.237 30 10 JEEE COc1nc(N2CC[C@H](NC(=O)OC(C)(C)C)[C@@H](CO)C2)ccc1B1OC(C)(C)C(C)(C)O1 2365344690 QWHZOWGUUOZISK-WBVHZDCISA-N 463.384 2.101 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)O[C@@H](C)C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc2C1=O 9701567 BKQKEEYQQXTYTI-INIZCTEOSA-N 488.500 2.450 30 10 JEEE C#CCOc1ccc(C(=O)N[C@@H]2CN(C(=O)Nc3ccccc3C(=O)OC)CCC[C@H]2O)cc1 12480521 IDEXECZKYHHZTN-FGZHOGPDSA-N 465.506 2.272 30 10 JEEE biogenic CCOC(=O)C=c1sc(=Cc2ccc(C#N)cc2)c(=O)n1CC(=O)Nc1cccc(C)c1C 13135710 DJTRBWDKNXWZJF-UHFFFAOYSA-N 461.543 2.209 30 10 JEEE CS(=O)(=O)[C@@H]1CCN(Cc2cn(Cc3ccc(F)cc3F)c3cnc(C(=O)NO)cc23)C1 35833780 OMPJMEMBOAXFFJ-MRXNPFEDSA-N 464.494 2.101 30 10 JEEE C=CCN1C(=O)C(=c2sc3n(c2=O)[C@@H](c2ccco2)C(C(=O)OCC)=C(C)N=3)c2ccccc21 254317287 IRDKWPHIBXOXCY-FQEVSTJZSA-N 475.526 2.294 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)N(C)CC(=O)N3c4ccccc4NC(=O)C[C@@H]3C)cc2C1=O 514528620 RBHKNSIDUBIALG-HNNXBMFYSA-N 460.490 2.305 30 10 JEEE N#CCCN(C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)c1ccccc1 521788969 PWKCWKYWRQFAFZ-UHFFFAOYSA-N 479.562 2.118 30 10 JEEE CC#CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC[C@@H](O)C(=O)O 757210439 MCSWOYBNMZBMRV-FGZHOGPDSA-N 450.491 2.259 30 10 JEEE C=CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC(=O)NCC(=O)O 757435302 LSXDMDVXATXXJL-NRFANRHFSA-N 465.506 2.177 30 10 JEEE Cc1ccc(C(=O)NCC(=O)[C@@H](C#N)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)s1 1115857909 CIHMXWKSEXIPFN-GOSISDBHSA-N 488.591 2.309 30 10 JEEE Cc1cc(NC(=O)c2ccc(Cl)c(S(=O)(=O)NC[C@H]3CCCO3)c2)nn1CCC#N 1137930826 CTIONMRKYPUDHZ-OAHLLOKOSA-N 451.936 2.468 30 10 JEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](CCO)c2ccccc2Br)c1 1138164054 XWWBOUZYEPVJAD-GOSISDBHSA-N 451.342 2.214 30 10 JEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ccc(CCN2CCSCC2)cc1 1142638644 DRPRFIUDTAUFLK-KRWDZBQOSA-N 458.609 2.455 30 10 JEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(F)cc1 1153806984 HWWWEWNGQKQQIV-LHSJRXKWSA-N 453.499 2.262 30 10 JEEE C=CC[C@@]1(C(=O)N2CCN(c3nc(N)nc(C4CC4)n3)CC2)CCCN1C(=O)OC(C)(C)C 1179383378 CUMKSKRQHYNWDM-QHCPKHFHSA-N 457.579 2.326 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CNC(=O)c3cccs3)n2C[C@@](C)(O)CC)c1 1286311004 BZWISBVEAYGVKB-DEOSSOPVSA-N 480.594 2.487 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@@H]1CC(F)(F)CO1)[C@H]1CCS(=O)(=O)C1 1286394875 XKBAGUHHLPCENX-OALUTQOASA-N 464.538 2.114 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1CC1(C(=O)N(C)C)CCCC1 1286407917 VZLQQGIKABSHBU-UHFFFAOYSA-N 457.538 2.315 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccccc1Cl)N(C)C 1286409992 QEYZHWBSMBBFHI-XLIONFOSSA-N 460.003 2.209 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccccc2Br)n1CCNC(=O)c1cc[nH]n1 1286422734 ACGMYSQSGNESCV-UHFFFAOYSA-N 466.343 2.324 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCN(c2ccccc2OC)C1 1286446806 HWICCAONISUCLB-RTBURBONSA-N 457.600 2.175 30 10 JEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccccc1N1CCOCC1 1286505006 UKADTWHHESVCBY-IBGZPJMESA-N 454.600 2.069 30 10 JEEE C=C(C)COCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1286607291 FCZKJYUSAGEDHB-JOCHJYFZSA-N 484.601 2.030 30 10 JEEE C=C(C)COCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1286613360 YPDUMAOSNSKRBP-UHFFFAOYSA-N 494.596 2.397 30 10 JEEE C=C1CCN(c2nnc(-c3cc(Br)cn3C)n2CCNC(=O)c2cc[nH]n2)CC1 1286638465 CGEFVRICDFCHGY-UHFFFAOYSA-N 459.352 2.356 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC(CNC(C)=O)CC1 1286780595 PICOTVBXOJGUEJ-INIZCTEOSA-N 458.538 2.212 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1286782404 SYCPOOWHSWUYQJ-GOSISDBHSA-N 454.575 2.245 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C)c(Br)c2)nnc1N(CC)CCS(C)(=O)=O 1286782712 CYNKLPJZSHDZCE-UHFFFAOYSA-N 484.420 2.189 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCNC(=O)c2cc[nH]n2)C1 1286798477 KWLQYYQVTXJOKO-LJQANCHMSA-N 478.557 2.082 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(C)(C)CCOC)c1 1300334750 RZJVIMFGYUFGPD-LJQANCHMSA-N 487.626 2.299 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1csc([C@@H](C)OC)n1)[C@@H]1CCS(=O)(=O)C1 1300487523 KKCMNVDCOSXRJB-CRAIPNDOSA-N 472.596 2.179 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@@H]1CCC[C@H](O)C1)[C@H]1CCS(=O)(=O)C1 1300501643 MNCPEFPAUDFDIZ-FSSWDIPSSA-N 456.612 2.241 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@](C)(O)CCC 1300560492 AEXULZKMJSUYCS-QHCPKHFHSA-N 457.600 2.209 30 10 JEEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1([S@](C)=O)CCC1 1300578197 JBJWFASNHSACIN-XIFFEERXSA-N 465.627 2.216 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CCNC(=O)C2CC2)CC1 1300690688 PPPLLNHJSNGRGG-UHFFFAOYSA-N 471.403 2.297 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@@H](c2cccc(F)c2)N(C)C)CC1 1300719722 NLSKMBWZCCABEB-QFIPXVFZSA-N 476.560 2.143 30 10 JEEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(C#N)CC1 1300743225 JGHSOJDICGQEFZ-UHFFFAOYSA-N 458.613 2.302 30 10 JEEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1300778725 GIORAHYVKOBXMB-KSZLIROESA-N 465.620 2.472 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CC[C@H](S(C)(=O)=O)C1 1301485025 QAVBPKDYNDWEIT-INIZCTEOSA-N 463.629 2.201 30 10 JEEE C=CCOc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CCN(C(=O)OC)[C@@H](C)C2)cc1 1301530243 QWNGCKOVVQMVEC-SFHVURJKSA-N 468.558 2.291 30 10 JEEE C=CCOc1ccccc1Cn1c(Cc2ccncc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1301531536 PKAZVQRCJVOONK-IBGZPJMESA-N 482.610 2.347 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCN(c2ccc(F)cn2)CC1 1301578054 QUDXNPCRVHGFNG-UHFFFAOYSA-N 486.573 2.415 30 10 JEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 1301613420 XYUDKNJFAGQMSA-IBGZPJMESA-N 481.688 2.471 30 10 JEEE C#CCNC(=O)C1CCN(C(=O)NCc2c(Br)cncc2Br)CC1 1312735367 FHYKCERFWBMWCF-UHFFFAOYSA-N 458.154 2.278 30 10 JEEE C#CCN(c1nnc(C(C)C)n1Cc1cccc(OCCN(C)C)c1)[C@H]1CCS(=O)(=O)C1 1358955555 OELOUOQDOSLDIP-FQEVSTJZSA-N 459.616 2.017 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H]1CCCS1)[C@@H]1CCS(=O)(=O)C1 1358959932 SHZTWWBFRZEYAX-AEFFLSMTSA-N 476.624 2.485 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CCc1cc(C)ccc1OC)[C@H]1CCS(=O)(=O)C1 1358965127 OKARSIPAYIEODG-QFIPXVFZSA-N 479.606 2.450 30 10 JEEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1C[C@@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1358967108 DNMNKGQKRKWRDE-UWJYYQICSA-N 466.991 2.298 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCOC[C@H]1CCOC1 1358979014 AGUWEEALGHDVFZ-NHCUHLMSSA-N 487.601 2.103 30 10 JEEE C#CCN(CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCN1CCN(C)C(C)(C)C1 1359002735 KQSJJYJTWTXHRK-UHFFFAOYSA-N 470.618 2.456 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(Oc2ccccc2)nc1 1359010454 QEWOQVUXFNFZHJ-NRFANRHFSA-N 496.593 2.306 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@H](C)N(C)C)CC1 1359034969 HTVUEYAMWFEBSO-WOJBJXKFSA-N 459.639 2.098 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2Cc2cccc(C(=O)N[C@H](C)CC)c2)CC1 1359036123 NURZRUCVDRGNAO-KNQAVFIVSA-N 450.587 2.114 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCNC(=O)CC1 1359090333 ZDVWUHAKMHPIJH-WIYYLYMNSA-N 452.559 2.455 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)=C(Br)C1 1359122058 VRIYVRMRIAMKOF-OAHLLOKOSA-N 460.398 2.066 30 10 JEEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1359133444 RVWASTYQRSOXAP-SFTDATJTSA-N 474.650 2.334 30 10 JEEE C=CCCCn1c(Cc2ccccn2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1359218058 WFHXGHWAGIOTNI-UHFFFAOYSA-N 465.602 2.170 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@]2(CC=CCC2)C1 1359333025 MMKFJFWSGUBPHG-WIYYLYMNSA-N 468.645 2.108 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)NCc2cc(Br)cnc2OC)ccc1F 1453551702 XXTOBKVWBRRBPF-UHFFFAOYSA-N 458.309 2.386 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1CCOc1ncccc1Cl)[C@H]1CCS(=O)(=O)C1 1507631234 MZYORUSVYHTVJY-KRWDZBQOSA-N 472.958 2.094 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CCCN1C[C@H](C)C[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1507635779 VIRDOKZNVCJLMG-MQSCRBSSSA-N 484.670 2.259 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(OC)ccc2Br)n1Cc1ccc(C(N)=O)nc1 1507644749 NGEWAAIYWSKCQK-UHFFFAOYSA-N 479.338 2.331 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC2=CCCOC2)CC1 1507735363 UHEXLSKPMDUNPK-UHFFFAOYSA-N 465.554 2.275 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CCOC(C)C)CC1 1507738692 VRLCERBWAACLIA-UHFFFAOYSA-N 491.596 2.066 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCc2c(OC)cc(OC)cc2OC)CC1 1507738942 IQHHDLOVCYVBFB-IBGZPJMESA-N 497.596 2.016 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2CCN2CCC[C@H]2C)CC1 1507741366 QMKUXDMXAKCHJR-LJQANCHMSA-N 468.577 2.446 30 10 JEEE C#CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1507754455 VYZFBTFXXMZKKT-SFHVURJKSA-N 470.618 2.164 30 10 JEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)Cc1ccc(OC)cc1 1508059693 YYJUJQCYVQWKBI-PXNSSMCTSA-N 463.604 2.121 30 10 JEEE C=CCn1c(Cc2ccccc2F)nnc1N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 1508062400 HBLXFSCQKFMWDF-GOSISDBHSA-N 451.568 2.071 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](C(N)=O)C1 1508104505 IXABPXUFTPDVQC-SFHVURJKSA-N 461.526 2.240 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1508107015 XEAZOCQPOXHHTP-SFTDATJTSA-N 455.559 2.414 30 10 JEEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(CCc2ccccc2)n1C[C@@H](C)N(C)C 1510069315 BYIKYSLBRYOCRB-UXHICEINSA-N 459.602 2.390 30 10 JEEE CC[C@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCN1CCOC(C)(C)C1 1513023197 BQVNQUAKICLLNH-OALUTQOASA-N 467.622 2.279 30 10 JEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)CN2C(=O)C(F)(F)Oc3ccccc32)cc1 1527058563 WSOGZQNTEOUXGF-UHFFFAOYSA-N 451.451 2.450 30 10 JEEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1539153702 IYCLWXDOHNCEIQ-WIOPSUGQSA-N 453.587 2.289 30 10 JEEE C#CCN(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1CC1(O)CCS(=O)(=O)CC1 1539162355 VLTJGYVXKOGSLW-UHFFFAOYSA-N 470.551 2.126 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC1CCC(C(F)(F)F)CC1)[C@@H]1CCS(=O)(=O)C1 1539201300 ZUIVSOGADIRJFC-OFLPRAFFSA-N 489.564 2.412 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1Cc1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1539210246 AIFDGSDLTWZVJT-KRWDZBQOSA-N 485.566 2.242 30 10 JEEE C#CCN(c1nnc(Cn2ccc3ccccc32)n1CCCOCC)[C@H]1CCS(=O)(=O)C1 1539230486 MYGOZPKZGBXVNJ-FQEVSTJZSA-N 455.584 2.334 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H](C)N1CCN(CC)CC1 1539263866 QDZOLENLQBQZFO-GOTSBHOMSA-N 497.688 2.491 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@]1(C)CN(C2CC2)C1=O 1539396952 VQFKVVMSLBBDHQ-RUZDIDTESA-N 464.570 2.244 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@](C)(O)c2ccccc2Cl)CC1 1539849504 XSWDARQMAVHUSL-KNQAVFIVSA-N 496.033 2.329 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc3cccnc23)nnc1N1CCCN(CC)C(=O)C1 1540900077 KKEYOSODFCSVMB-UHFFFAOYSA-N 468.583 2.153 30 10 JEEE CCC1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@@](C)(C#N)C2)CCC1 1546143980 AEUPVUIVPGMJCU-PXNSSMCTSA-N 450.609 2.321 30 10 JEEE N#Cc1cccc(NC(=O)C2CCN(C(=O)[C@@H](CO)NC(=O)OCc3ccccc3)CC2)c1 1546185017 DIONOMNGGYWYEK-OAQYLSRUSA-N 450.495 2.023 30 10 JEEE C#CC[C@H]1CCN(C(=O)c2cc(Br)cc(S(=O)(=O)N3CCOCC3)c2F)C1 1585656002 FWKJFTKGNPBEIA-ZDUSSCGKSA-N 459.337 2.095 30 10 JEEE C#CCCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CC[C@H](C(=O)OC)C1 1587782922 DNJZKOZBZAWKPN-QFIPXVFZSA-N 464.614 2.446 30 10 JEEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1587878926 KARORZFXCJIYEF-UHFFFAOYSA-N 453.576 2.260 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1CC(=O)Nc1c(C)cccc1C)[C@@H]1CCS(=O)(=O)C1 1588065302 WISMIIYJIURBII-LJQANCHMSA-N 455.584 2.113 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1CCN(C(C)=O)CC1 1588218859 FNHOOFUOMMJCHA-UHFFFAOYSA-N 485.592 2.396 30 10 JEEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CC(F)(F)CO1 1588398516 GHUPNJLTGCAHFK-HZPDHXFCSA-N 455.506 2.470 30 10 JEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)C[C@@H]1CN(CC)c2ccccc2O1 1589060697 WWFAYNWPTNXHEG-MSOLQXFVSA-N 454.600 2.319 30 10 JEEE C=C(Br)Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@](C)(N2CCOCC2)C1 1589287634 CGDMPZGVLPTNLO-FQEVSTJZSA-N 469.428 2.406 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1ccccc1)N(C)C 1589663503 NXFAZFVHOJUTBF-LEWJYISDSA-N 476.647 2.316 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC(F)(F)F)CC1 1593637016 VQQVRJHBRGDZLB-OAHLLOKOSA-N 451.515 2.356 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCOC[C@@H]1C 1595115494 JPGRDYBOTHNEST-FPOVZHCZSA-N 459.616 2.094 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCCN(CCC)C(=O)C1 1595577549 WTRIULQMKSGIKO-UHFFFAOYSA-N 454.575 2.225 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1Cc2cccc(Br)c2C1 1595753404 HXDOVMUBNGDXFB-UHFFFAOYSA-N 482.404 2.300 30 10 JEEE C=CCn1c(S)nc2cc(C(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)ccc2c1=O 1611237660 MYWJDRKBKWQJRB-IBGZPJMESA-N 459.531 2.274 30 10 JEEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CC[C@@H](C)N1CCCCC1 1616922544 DFDWKPZZLXSEBL-UXHICEINSA-N 467.622 2.456 30 10 JEEE CCOCc1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1C[C@H]1CCCCS1(=O)=O 1616957261 ALQUITZULSACAB-UXHICEINSA-N 459.572 2.231 30 10 JEEE N#Cc1ccc(CN2CCCN(c3nnc(C4CC4)n3CC(=O)NCC(F)(F)F)CC2)cc1 1620350352 DWQOCPOITARSSS-UHFFFAOYSA-N 461.492 2.418 30 10 JEEE C=CCN(CCOC)S(=O)(=O)c1cc(C)c(I)c(C(=O)OC)c1 1622094077 OOUXSWGVZWARCF-UHFFFAOYSA-N 453.298 2.209 30 10 JEEE C=CC[C@H](CO)CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1 1624243373 NLROTPCYWWRCRD-QWHCGFSZSA-N 451.408 2.212 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2Cc2c(CC)nn(C)c2OC)c1 1689871777 FBXZWMAUAQZMEQ-GOSISDBHSA-N 477.569 2.191 30 10 JEEE C#CCCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1C[C@H](OC)[C@H](OC)C1 1689876978 NUQRXCHAKQPBDT-HDICACEKSA-N 460.604 2.200 30 10 JEEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(OCC)c1OC(F)F 1689965971 HUXCOPLUGQKONR-HNNXBMFYSA-N 454.499 2.298 30 10 JEEE C#CCN(c1nnc([C@@H]2COc3ccccc3O2)n1CCCSC)[C@@H]1CCS(=O)(=O)C1 1689989605 HCFRMWHHZWFREX-APWZRJJASA-N 462.597 2.170 30 10 JEEE C#CCN(c1nnc([C@H]2COc3ccccc3O2)n1CCCSC)[C@H]1CCS(=O)(=O)C1 1689989607 HCFRMWHHZWFREX-QFBILLFUSA-N 462.597 2.170 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H](c1ccco1)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1689990773 ROONESDSYWYECO-HSALFYBXSA-N 475.615 2.085 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC2(C(N)=O)CCCC2)CC1 1690112000 OGBYNXXVCARSOY-SFHVURJKSA-N 454.550 2.358 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2CC2(C(N)=O)CCCC2)CC1 1690152636 SGVGRRUJHIMXQJ-UHFFFAOYSA-N 478.597 2.177 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1690155539 KYNIHTLDDBILMG-UHFFFAOYSA-N 482.614 2.020 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)CCNS(C)(=O)=O 1690237807 AVPXUZPBTAUNGT-WIYYLYMNSA-N 485.614 2.302 30 10 JEEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H](c1cccs1)N1CCOCC1 1690287669 OQUFQNWUOKEMSJ-MSOLQXFVSA-N 465.645 2.328 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N(C)C[C@@H]1CCCO[C@H]1c1ccccc1 1690655360 QKVLZJLILQGABB-FPOVZHCZSA-N 454.575 2.323 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1690660291 DCXMRKQXYXHFGQ-MOPGFXCFSA-N 472.565 2.018 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1690663631 CEODCUBQNXDUSN-UHFFFAOYSA-N 476.585 2.243 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc3cccnc23)nnc1N1CCC(C(=O)NC)CC1 1690720425 ITURPXPUHIIBDZ-UHFFFAOYSA-N 468.583 2.057 30 10 JEEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1690749847 RFKXRBOVVXWJLW-UHFFFAOYSA-N 476.632 2.026 30 10 JEEE CC(C)[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1691549864 AIHUOJQQJLTWLS-SANMLTNESA-N 479.629 2.358 30 10 JEEE CS(=O)(=O)c1cccc(-c2nnc(N3CCC(C#N)CC3)n2CCN2CCSCC2)c1 1698293390 CFCGPISOYGRSPQ-UHFFFAOYSA-N 460.629 2.137 30 10 JEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN1CCC[C@H](C)C1 1705580473 JOKXONHQNYOBAW-IBGZPJMESA-N 453.616 2.043 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN1CCCCC1 1705619378 OXRVPWVGNGOQET-GOSISDBHSA-N 462.595 2.153 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2ccc(F)cc2C)CC1 1705643586 LLRIMVLGGUTDON-UHFFFAOYSA-N 466.561 2.170 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2nc(C(F)(F)F)cs2)CC1 1705652607 GUVIKMMNRBDLNT-UHFFFAOYSA-N 456.494 2.304 30 10 JEEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1705785931 BRNVXGRFEDLOTB-OALUTQOASA-N 468.668 2.039 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC[C@H](CN3CCCC[C@H]3C)C2)nnc1[C@]1(OCC)CCOC1 1705909155 PBFXTTLGAGVWOZ-OTPAQWSUSA-N 474.650 2.323 30 10 JEEE C=CCNC(=O)Cn1c(N2CCN(C3CCC3)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705909392 VSWGVRPZVNGTFL-HDICACEKSA-N 473.622 2.026 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2cccc(C(N)=O)c2)C1 1705929778 XMPMJGFSSSORPH-SFHVURJKSA-N 466.567 2.198 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1705932502 FLJCUCWXWXEXNO-LJQANCHMSA-N 497.625 2.450 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1705935624 XICOFEHXXLSTNW-IAGOWNOFSA-N 466.947 2.237 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1705937653 AEPJOUPGCCOZBV-IBGZPJMESA-N 491.614 2.352 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@@H](Cn2c(-c3cnccn3)nnc2N2CCO[C@H](C#N)C2)C1 1706157644 AUAFAOIDRJHBPR-IAGOWNOFSA-N 454.535 2.111 30 10 JEEE CCn1cccc(Cn2c(C(=O)N3CCCC3)nnc2N(CCOC)Cc2ccc(C#N)cc2)c1=O 1710189274 GMDQUDNTCWHISV-UHFFFAOYSA-N 489.580 2.269 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCc1ccc(S(C)(=O)=O)cc1 1722275045 BWZKNCZPOQUIAC-FDDCHVKYSA-N 460.600 2.423 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1CCN(C(=O)OC)CC1 1722282583 QNDCNAITTHEOSQ-QGZVFWFLSA-N 488.614 2.132 30 10 JEEE C#CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@H](CC(N)=O)C1 1722328707 XKLAVMOAKXQXHV-QGZVFWFLSA-N 457.604 2.052 30 10 JEEE C#CCN(c1nnc(C2CCC2)n1CC(F)(F)CNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1722366282 HFGIYJGAPKALKM-MRXNPFEDSA-N 487.573 2.332 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCSC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1722367714 NVMHCJMORPJTCH-KBPBESRZSA-N 452.524 2.052 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CCOC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1722369702 DUEPDMHCWRMQNZ-XDWAVFMPSA-N 478.659 2.496 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1CC[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1722370020 KIJHDBQGXVZKAT-QZTJIDSGSA-N 462.547 2.050 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2cccnc2OCCC)CC1 1722433515 YFPNVRNZIUVLPX-RUZDIDTESA-N 468.602 2.306 30 10 JEEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2C[C@H](CC(C)C)NC(=O)OCC)CC1 1722439438 CAJURJYSLVVNEY-NRFANRHFSA-N 453.591 2.180 30 10 JEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCN(C)Cc2ccc(F)cc2)CC1 1722440128 CVJFQCOCEGATIB-UHFFFAOYSA-N 464.593 2.166 30 10 JEEE C#CCSCCn1c(-c2ccccc2C)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1722456951 KKCCDRSCKVFBLL-NRFANRHFSA-N 452.628 2.363 30 10 JEEE C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1722543198 FXHAJCRIAWQTMB-HNNXBMFYSA-N 477.953 2.408 30 10 JEEE C=CCCOCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(N(C)C(C)=O)CC1 1722628254 VBCFCMLIXDZQDY-UHFFFAOYSA-N 482.633 2.492 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1722737204 WXAZMGQCIVGKHY-FZONSQQESA-N 482.647 2.182 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1Cc1ccnc(C(F)(F)F)c1 1723611608 BOUYYNUDYFFGTE-UHFFFAOYSA-N 499.501 2.472 30 10 JEEE CCN(C[C@@H]1CCCO1)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1728470746 GLIATEVNUSUEPB-UXHICEINSA-N 458.588 2.246 30 10 JEEE CNC(=O)[C@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1CC(=O)N(C)C1CCCCC1 1729636338 CVDOUBOJMMJURX-GOSISDBHSA-N 481.601 2.338 30 10 JEEE C#CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@](C)(C(=O)NC)C1 1740571406 NPMJHVXNAOEFTC-VWLOTQADSA-N 461.570 2.441 30 10 JEEE C#CCN(c1nnc(-c2cccc3cccnc23)n1CCN(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1740619506 JFJWRASXENJKQC-FQEVSTJZSA-N 466.611 2.460 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1ccc(COC)cc1)[C@@H]1CCS(=O)(=O)C1 1740627666 RTMIIYVNAZPRJI-NHCUHLMSSA-N 458.584 2.341 30 10 JEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCOc1ncccc1F 1740633216 ZYLCRXROQXLFBO-UHFFFAOYSA-N 481.557 2.233 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCC[C@]2(CCOC2)O1 1740664237 JLUVTZDRTYYJBU-HYBUGGRVSA-N 487.626 2.383 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1CC1([S@@](C)=O)CC1 1740680879 QSCADRPLOVENGF-HHHXNRCGSA-N 454.394 2.043 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2CC(F)(F)CNC(=O)OC(C)(C)C)CC1 1740705491 IGKPWRPUPBJVBE-UHFFFAOYSA-N 466.533 2.281 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCO[C@@H](C)C2)CC1 1740708156 DWTQIJSHMNZYMY-ZWKOTPCHSA-N 484.626 2.051 30 10 JEEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(CCOc2ccccc2)CC1 1740716411 XZAULOLXQBEQKC-UHFFFAOYSA-N 451.600 2.246 30 10 JEEE C=C(Br)Cn1c(N2CCN3C(=O)NC[C@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740750793 UUNNGHMHFLUHQM-ZNMIVQPWSA-N 496.410 2.171 30 10 JEEE C=C(C)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1740780160 YPUJTOQZFONTKY-UHFFFAOYSA-N 482.585 2.246 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(F)(F)F)CC1 1740843529 KDXRRVFZFQBPIK-CQSZACIVSA-N 452.547 2.175 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1coc(-c2ccc(C)cc2)n1 1740900835 ZPPLYDCKDBTYIW-FQEVSTJZSA-N 486.598 2.439 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](OC)c1ccc(F)cc1)C1CC1 1740911046 VUFNSNOAMBCKNX-PMACEKPBSA-N 479.578 2.293 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@]2(O)CCSC2)C1 1740979900 GTWICORYMFVIQX-PMAPCBKXSA-N 495.646 2.236 30 10 JEEE C[C@@H]1CN(C(C)(C)Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(CCC#N)CC2CC2)C[C@@H](C)O1 1743196676 BXPWWCKJFPGYBN-QWFCFKBJSA-N 478.663 2.198 30 10 JEEE CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCSCC2)CCN1CCOC 1744999932 CAHWZBRKYUESLV-JOCHJYFZSA-N 469.659 2.413 30 10 JEEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nccc(C(F)F)n2)C1 1746536358 DATQWFVAJPJRNB-MRXNPFEDSA-N 488.524 2.111 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1C[C@H](C(CC)CC)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1748803027 URYOCPYFFSRJPN-NHCUHLMSSA-N 479.691 2.339 30 10 JEEE C#CCN(c1nnc(-c2nnc(O)c3ccccc23)n1CCCC=C)[C@@H]1CCS(=O)(=O)C1 1748815503 QVRPIVMZHQJBEP-MRXNPFEDSA-N 452.540 2.187 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCCO[C@H]1C(C)C)[C@H]1CCS(=O)(=O)C1 1748821137 MFIVHDUHLMOZRF-FUDKSRODSA-N 488.658 2.218 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)[C@H](C)[C@H](C)O2 1748864543 YVWSLTQSMYZUSZ-SQNIBIBYSA-N 455.584 2.284 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(C)C)n1C[C@@]1(C)CN(C2CC2)C1=O 1748940249 GMYYNZFVVGGMGE-XMMPIXPASA-N 452.534 2.206 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2cn3ccccc3n2)nnc1N(C)CC(=O)NC(C)C 1749134214 WGWNGOPSSOTLES-WZONZLPQSA-N 451.575 2.459 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1749721115 AKODKHRUFCIOBB-QGZVFWFLSA-N 499.634 2.042 30 10 JEEE C=CCSCCn1c(Cc2ccncc2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1749762097 OTFWSMSFUSJTNK-IBGZPJMESA-N 462.645 2.187 30 10 JEEE C=CCSCCn1c(N2CCN(C)C(=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1749763600 DBMKFYQKOXFYTQ-IYBDPMFKSA-N 450.609 2.246 30 10 JEEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](c2ccco2)N(C)C)CC1=O 1749878261 DROGDEOKMCXVSZ-FQEVSTJZSA-N 463.542 2.008 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1[C@H]1C[C@H](c2ccc(F)cc2)C1 1750075753 HMLCJNYYQNCLTO-RARDXLECSA-N 476.578 2.465 30 10 JEEE CC(C)(C)S(=O)(=O)CCn1c(Cn2ccc3ccccc32)nnc1N1CCO[C@@H](C#N)C1 1750518666 FISRRBMKTMJICC-SFHVURJKSA-N 456.572 2.223 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1CC[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1760184932 ZJVPWZUIINGMQU-MJGOQNOKSA-N 474.583 2.016 30 10 JEEE C#CCN(c1nnc(CSc2ccc(Cl)cc2)n1CC(=O)NCC=C)[C@@H]1CCS(=O)(=O)C1 1760192463 JDLNURYRWVQCTQ-QGZVFWFLSA-N 494.042 2.153 30 10 JEEE C#CCN(CC#CC)c1nnc(COc2ccc(Br)cc2)n1C[C@]1(O)CCOC1 1760223730 JYNAIZIYUHXSGK-OAQYLSRUSA-N 459.344 2.234 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C(C)C)N1CCCC1 1760336744 IEFUWJPPSHODBJ-WOJBJXKFSA-N 468.668 2.134 30 10 JEEE C=CCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1760423772 MDRFNXFZPKQTLI-UHFFFAOYSA-N 461.570 2.444 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[S@@](=O)CC 1760480087 KLVWXAYCVIBOOP-ADSBAMQRSA-N 461.613 2.013 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@H]1COCCO1 1760480592 YZABYNSPTQJAJL-SFTDATJTSA-N 471.583 2.050 30 10 JEEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1760513668 VNRSIRFUXGYRIA-UHFFFAOYSA-N 457.648 2.450 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCCc1ccccn1 1760522573 WVIGADRPEYVPMM-FQEVSTJZSA-N 499.616 2.353 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCS(=O)(=O)N(C)C)C1 1760538306 XZTLOSBDCXJNNH-OAHLLOKOSA-N 457.959 2.410 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](c2ccnn2C)C1 1760557536 OPDZXZDLXBQUBS-FQEVSTJZSA-N 495.609 2.447 30 10 JEEE CS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2CCCCCC[C@@H]21 1771368384 CPUSCPIQVGPCAL-QUCCMNQESA-N 458.588 2.437 30 10 JEEE N#C[C@@]1(F)CCN(c2nnc(COc3ccccc3F)n2C[C@H]2CCCCS2(=O)=O)C1 1771530232 FNTJLYULTDERJZ-QRWLVFNGSA-N 451.499 2.405 30 10 JEEE C=CCNC(=O)[C@@H]1C[C@H](O)CN1C(=O)c1cccn(Cc2ccc(Cl)c(Cl)c2)c1=O 1861313951 IUUWASUOYKKRSJ-KSSFIOAISA-N 450.322 2.081 30 10 JEEE CC(C)[C@H](C(=O)Nc1c(C#N)nnn1-c1ccc2c(c1)OCO2)N1C(=O)c2ccccc2C1=O 1870143682 WMNKOACHUHARTN-LJQANCHMSA-N 458.434 2.127 30 10 JEEE C=CCn1cc(OCC(=O)Nc2ccccc2C(=O)OC)c(=O)cc1CN1C[C@@H](C)O[C@H](C)C1 1870741760 BSBQWRQVAZQKED-QZTJIDSGSA-N 469.538 2.448 30 10 JEEE COC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)(C)C)C2)n1/N=C/c1ccc(C(=O)OC)cc1 1874278501 UGERJWLGGDMOQD-IMQYADFFSA-N 473.555 2.326 30 10 JEEE C=C1CC(CN)(C(=O)Nc2c(I)nc(C)nc2I)C1 2126647606 NOZWBXAPSPUCTH-UHFFFAOYSA-N 484.079 2.228 30 10 JEEE C#CCN(C(=O)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1 2180120088 RAEZSKVTCWTMES-PXDATVDWSA-N 490.622 2.479 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2CC[C@@H](CO)[C@H](NC(=O)OC(C)(C)C)C2)C1 2255199751 CEBKYOLTYSWTHI-GBXAEXGJSA-N 451.564 2.027 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H](C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)C1CCC1 2256613602 JRSCNPPWAHGSDT-CYBMUJFWSA-N 452.386 2.139 30 10 JEEE CC(C)(C)OC(=O)NCc1occc1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2256675923 KKLNHEZIQHTAQH-UHFFFAOYSA-N 450.326 2.129 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](Cc1ncns1)C(=O)NCCC#CB1OC(C)(C)C(C)(C)O1 2258956896 IDRSKCRSTOPAAP-AWEZNQCLSA-N 450.370 2.115 30 10 JEEE CO[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)N(C(=O)c2occc2B2OC(C)(C)C(C)(C)O2)C1 2267183611 HACXTCCLCSAZPN-HUUCEWRRSA-N 450.341 2.333 30 10 JEEE CN1CCN(C(=O)OC(C)(C)C)C[C@H]1CNC(=O)c1csc(B2OC(C)(C)C(C)(C)O2)c1 2267293034 LMEZHHSNNKNWGF-MRXNPFEDSA-N 465.425 2.328 30 10 JEEE CC(C)(C)OC(=O)N1CC=C[C@H]1CNS(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2267703125 QTIJQOVQDGICEU-KRWDZBQOSA-N 464.393 2.440 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1)C1CC1 2267705502 IUQKQIIFDQQNGR-CQSZACIVSA-N 487.453 2.165 30 10 JEEE C[C@@H]1CCN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1NC(=O)C(F)(F)F 2267712287 DECIVEJXLIFONE-YPMHNXCESA-N 482.355 2.125 30 10 JEEE CC(C)(C)OC(=O)NCc1nnc(NS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)o1 2267714598 YPMSJEDUAHXSEQ-UHFFFAOYSA-N 486.381 2.256 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@]2(C(=O)N=c3nc(B4OC(C)(C)C(C)(C)O4)[nH]s3)CCC[C@@H]12 2268654906 FVGGEUIVJXMCQW-ASSNKEHSSA-N 464.397 2.377 30 10 JEEE Cc1nn(C)c(C(=O)N(CCNC(=O)OC(C)(C)C)CC2CC2)c1B1OC(C)(C)C(C)(C)O1 2281986877 VXBYRLMFRAWJNS-UHFFFAOYSA-N 462.400 2.405 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCCO[C@@H]2[C@@H]1NC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2282031383 RHKFPKTYRVVMEF-XZDPQHSOSA-N 479.408 2.243 30 10 JEEE Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC1(O)CC(NC(=O)OC(C)(C)C)C1 2282117037 MDGHTUBKMOLQRD-UHFFFAOYSA-N 460.380 2.442 30 10 JEEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@H]3CCCCN3C(=O)C(F)(F)F)cc2)OC1(C)C 2282338083 LHVAAKYPBAXXBB-OAHLLOKOSA-N 476.326 2.208 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCc1csc(NC(=O)OC(C)(C)C)n1 2282339649 VZYOCGVPNSPVPN-UHFFFAOYSA-N 499.424 2.001 30 10 JEEE Cc1nc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H](CCO)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2282526288 QUSQQIAECBJFCU-OAHLLOKOSA-N 481.424 2.195 30 10 JEEE CS[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C 2282546583 MTBMSILOOCVHNH-LSDHHAIUSA-N 480.440 2.108 30 10 JEEE CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)NCCN2C(=O)[C@H]1C[C@H]1B1OC(C)(C)C(C)(C)O1 2282637040 UBMZQODLARPCCV-JKSUJKDBSA-N 463.384 2.197 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1 2282664362 BQWKEJVBPUWFNC-OAQYLSRUSA-N 453.392 2.438 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)[C@H]1CN(C(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CCO1 2282667255 PMVUZQNOFCJJNT-MAUKXSAKSA-N 461.368 2.135 30 10 JEEE Cc1ccc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2O)cc1B1OC(C)(C)C(C)(C)O1 2282690577 XXRUFKPWCXTTLB-RTBURBONSA-N 460.380 2.394 30 10 JEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)Nc1cccnc1NC(=O)OC(C)(C)C 2282858399 WOKBNETXWFERMR-UHFFFAOYSA-N 479.368 2.262 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1COCCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2O)C1 2282967439 MXKDJGBKAFHTSI-INIZCTEOSA-N 462.352 2.057 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@]2(C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2283960624 ZQXWGHHXOUTCHP-NPMXOYFQSA-N 459.352 2.345 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N1CCc2cc(B3OC(C)(C)C(C)(C)O3)ccc2C1 2284068818 IUZMRIYRGIROAF-LJQANCHMSA-N 460.380 2.146 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@@H](CC(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)C1 2284126971 XLJGSCIMFORDER-HNNXBMFYSA-N 481.424 2.332 30 10 JEEE COc1cccc([C@H]2C(=C(O)c3ccncc3)C(=O)C(=O)N2CCCN2CCOCC2)c1OC 2297056659 NUFJXVJKESZMHC-NRFANRHFSA-N 467.522 2.243 30 10 JEEE CC(C)(C)OC(=O)N1CC([C@@H](F)CNC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C1 2315693169 GJRMYIGOTRZZKB-AWEZNQCLSA-N 455.361 2.377 30 10 JEEE COc1ccc(C=CC(=O)[C@@H]2CNCC[C@@H]2NC(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)cc1OC 2328155748 HCPOYSPACCFXLU-DQLDELGASA-N 491.544 2.065 30 10 JEEE Cc1nn(C)c(C(=O)N[C@@H]2C[C@H]3C[C@@H]2N(C(=O)OC(C)(C)C)C3)c1B1OC(C)(C)C(C)(C)O1 2359531056 CWCBGRZBLPRIRW-XHSDSOJGSA-N 460.384 2.155 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1C[C@H]2[C@H](C1)C[C@H]2NC(=O)OC(C)(C)C 2362351036 ZUVRNPDPIQFHMG-LVQVYYBASA-N 460.384 2.141 30 10 JEEE COc1nc(O[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2N(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2365381478 BPDCSPXRSQDIGQ-DLBZAZTESA-N 463.384 2.318 30 10 JEEE COc1ccc(OC)c([C@H]2c3c(nc(NCc4ccc5c(c4)OCCO5)[nH]c3=O)NC(=O)[C@@H]2C#N)c1 72472407 SOVHZBNNALWSEV-OXQOHEQNSA-N 489.488 2.394 30 10 JEEE C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]1CN(C)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 204868820 MNEIHKPBKDAMTI-SJLPKXTDSA-N 489.426 2.116 30 10 JEEE Cc1ccc([C@@H](CNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)N2CCCC2)o1 510430794 UBAOKPZTLKBUTB-HXUWFJFHSA-N 471.583 2.313 30 10 JEEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)cc1 749125818 DTZXEAYKUNMELF-VPMFXMNOSA-N 496.636 2.353 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)Nc3ccccc3S(=O)(=O)C(F)F)cc2C1=O 800716026 CGKBDEMNMJFKJS-UHFFFAOYSA-N 478.429 2.260 30 10 JEEE COc1cc(C=NNc2nnc(SCC(=O)Nc3ccc(F)c(F)c3)n2N)cc(OC)c1OC 1084397173 KJZHXKUJJQJBKD-UHFFFAOYSA-N 493.496 2.473 30 10 JEEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2Cc2cc(OC)c(OC)c(OC)c2)CC1 1286482759 YHRRIBFKBYJDLF-UHFFFAOYSA-N 462.554 2.093 30 10 JEEE CC1(C)COCCN1CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(CC(N)=O)CC1 1289043376 DKWAOWPNHRVNCF-UHFFFAOYSA-N 451.575 2.019 30 10 JEEE CC[C@@H]1CCCCN1CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1293364360 FKFUPKJRPUUSDX-PKTZIBPZSA-N 465.602 2.423 30 10 JEEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1295064123 CVDQPIOXCBOFLF-IBGZPJMESA-N 483.573 2.025 30 10 JEEE C#CCCCn1c(COc2ccccc2OC)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1300423681 SRLKEGRJDCXPNP-UHFFFAOYSA-N 480.613 2.414 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CC1CC2(CCOCC2)C1)[C@@H]1CCS(=O)(=O)C1 1300479609 QHRQGELQRCFTNM-HXUWFJFHSA-N 491.658 2.030 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CCC(=O)NC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1300488154 BDVCOPAOSVCDPC-FQEVSTJZSA-N 471.627 2.439 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1Cc1ccc(OC)nc1)[C@@H]1CCS(=O)(=O)C1 1300489279 LHLLBDKEJDXLHJ-LJQANCHMSA-N 451.552 2.332 30 10 JEEE C#CCN(c1nnc(-c2cnn(-c3ccccc3)c2)n1CCCN(C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1300491330 HBJWEMRZFHUFEO-HSZRJFAPSA-N 495.653 2.488 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCC(=O)N(C)C)CC1 1300718143 CJGKZKOAUGLYPP-UHFFFAOYSA-N 472.977 2.051 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@H](C)Oc2cccc(F)c2)CC1 1300719470 CAJQOBLGDKUMPO-KRWDZBQOSA-N 463.517 2.308 30 10 JEEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1300769961 MYGUYIQCCSXSFX-NRFANRHFSA-N 498.701 2.075 30 10 JEEE C=CCn1c(CCOc2ccccc2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1301467540 YHEHDNRLZXXPRJ-NFBKMPQASA-N 452.603 2.465 30 10 JEEE C#CCC1(NCC(=O)NCCN2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)CCC1 1308099997 BNNCXBKJGKZBSL-PDGQHHTCSA-N 457.577 2.268 30 10 JEEE CCN(CCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC(CC#N)CC1)S(C)(=O)=O 1313800458 CNSAMONAFVQZIE-UHFFFAOYSA-N 484.630 2.318 30 10 JEEE CCNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CCOC)[C@H](C)C1 1313966293 AIUCAGUXOYDZJX-GOSISDBHSA-N 453.591 2.136 30 10 JEEE CO[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCN2CCCO)C1 1315707168 GWMUUNNSRSLBDX-RBBKRZOGSA-N 454.575 2.191 30 10 JEEE COC[C@@H](Cn1c(-c2ccccc2F)nnc1N1CCN(c2ccc(C#N)cn2)CC1)OC 1315796680 BHMZQPMSFFQFCK-GOSISDBHSA-N 451.506 2.339 30 10 JEEE C#CCCCCn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1358915441 CNTNTYRGMRMZOW-UHFFFAOYSA-N 480.613 2.450 30 10 JEEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1C[C@@]1(O)CCSC1)[C@@H]1CCS(=O)(=O)C1 1358957729 YZVBZLXFDQIYON-VIZSFHNOSA-N 474.652 2.315 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1CC1([S@](C)=O)CCC1)[C@H]1CCS(=O)(=O)C1 1358964806 HSXUEPNRIXADBQ-GEFUHLBYSA-N 474.652 2.105 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1CC1([S@](C)=O)CCC1)[C@@H]1CCS(=O)(=O)C1 1358964809 HSXUEPNRIXADBQ-QJWGWKRISA-N 474.652 2.105 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1CCN1CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1358967891 VDKMBWZHUCYKEJ-OALUTQOASA-N 475.590 2.107 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)cn3C)n2CCn2cc(C)cn2)CC1 1359041591 BRRRUBBROPIHBT-UHFFFAOYSA-N 499.417 2.217 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@]2(O)CCCC2(C)C)CC1 1359046736 DLLCGARLIGRXBL-VWLOTQADSA-N 467.618 2.047 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1359048202 IRBWYQBOFUFTIV-MJGOQNOKSA-N 468.583 2.448 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCOCCS(C)(=O)=O 1359066397 ZGYWCTMSOHBBII-HSZRJFAPSA-N 468.583 2.389 30 10 JEEE C=CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1)C1CC1 1359246487 CSOPWJDKPNUWHE-BTYIYWSLSA-N 450.536 2.262 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 1359312910 CPEQLMRGODJSFR-FGTMMUONSA-N 498.650 2.069 30 10 JEEE C=CCC1(C(=O)NCCOc2ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc2)CCCCC1 1458349940 XOVUUEWAMNNFAM-UHFFFAOYSA-N 458.602 2.434 30 10 JEEE C=CCNC(=O)Nc1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCC(O)CC3)cc2)cc1 1463924447 XSIXMTJESXJSDI-UHFFFAOYSA-N 458.540 2.392 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1507628955 ZCOYZHMKNLWVFA-RBUKOAKNSA-N 474.583 2.158 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(=O)NCC(F)F 1507688841 CEOTXWFEXLDWTA-HNNXBMFYSA-N 454.522 2.233 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1Cc1ccc(C(=O)N2CCCCC2)cc1 1507703181 RPQHFPIFBAMLIQ-UHFFFAOYSA-N 466.586 2.177 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@]2(O)CCN(C)C2)CC1 1507736857 UOAUEVCYOGRJRH-IDISGSTGSA-N 494.640 2.067 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(S(C)(=O)=O)cc1 1507820153 AQNBHAMRJVXZEV-QGZVFWFLSA-N 452.602 2.034 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nc(C(F)(F)F)cs1)C1CC1 1507992732 IDGMYZDJWVLCAR-ZDUSSCGKSA-N 492.549 2.289 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(CCN2[C@@H](C)CC[C@@H]2C)CC1 1508072777 KJTXOIVQNUKEFC-SFTDATJTSA-N 481.645 2.251 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(OCCN2CCCC2)CC1 1508079285 QCNZRVOLEAMMLR-UHFFFAOYSA-N 463.586 2.200 30 10 JEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H](N(C)Cc2ccccc2)C1 1508090268 FWLMGFDEUMQZNZ-JOCHJYFZSA-N 462.602 2.153 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN([C@H](C)c2nc(C(C)C)no2)CC1 1508090995 QXIUAIMDUZIBQF-QZTJIDSGSA-N 472.594 2.212 30 10 JEEE C#C[C@H](NC(=O)[C@H](Cc1cccc(Br)c1)[C@@H]1CCS(=O)(=O)C1)[C@H]1CCCO1 1537762507 DFDQYFYCGYUWOY-OQIJWPOYSA-N 454.386 2.340 30 10 JEEE C#CCNC(=O)C1CCN(C(=O)CCN2C(=O)/C(=C/c3ccc(F)cc3)SC2=S)CC1 1538195253 BDRNZGMQQYPFIP-JXAWBTAJSA-N 459.568 2.405 30 10 JEEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1539029303 HECUUDRNBKZCRR-ZWKOTPCHSA-N 479.610 2.396 30 10 JEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 1539053391 QVODAQPYISTHLA-KBXCAEBGSA-N 465.542 2.222 30 10 JEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(=O)Nc1ccc(F)cc1 1539153907 KIYQHWLDESUQTH-UHFFFAOYSA-N 469.546 2.394 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1CC(C)(C)N1CCC(OC)CC1 1539271869 MWKFLWBXNKIHDL-UHFFFAOYSA-N 459.598 2.479 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1CCN1CCN(C)C(C)(C)C1 1539391290 BKHOPKVCRZPOOE-UHFFFAOYSA-N 481.620 2.205 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2cccc(COC)c2)CC1 1539469919 VTZGZDVTILRYIE-HHHXNRCGSA-N 495.624 2.479 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@@H]2N(C)CCCC2(C)C)CC1 1539475571 HJVMOGUYZNKEAV-NRFANRHFSA-N 451.619 2.370 30 10 JEEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1539526293 MLBSCENGTYVZRT-HXUWFJFHSA-N 457.648 2.196 30 10 JEEE C=C(Br)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(CCOC)C(=O)C1 1539579719 BULITFYUMJIKDU-UHFFFAOYSA-N 488.184 2.239 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(F)ccc1OC 1539669631 SEWIAWKFKPRBPC-IBGZPJMESA-N 467.567 2.209 30 10 JEEE C#CCNC(=O)C1CCN(C(=O)[C@](C)(NC(=O)OC(C)(C)C)c2cccc([N+](=O)[O-])c2)CC1 1539703013 UQFCXJPPLYLQHA-HSZRJFAPSA-N 458.515 2.323 30 10 JEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 1540035628 FQSHNLPPKLPUSV-MSOLQXFVSA-N 483.635 2.219 30 10 JEEE C=CCN(C)c1nnc(Cn2ccc3ccccc32)n1CCS(=O)(=O)N1CCSCC1 1540084711 XYNFSDAGHUZSDY-UHFFFAOYSA-N 460.629 2.282 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCCCO2)n1C[C@]1(O)CCS(=O)(=O)C1 1540120183 PJODACBSWIBAGV-NZQKXSOJSA-N 476.599 2.271 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1540867620 BLZXNJSVXILLNQ-UHFFFAOYSA-N 479.976 2.141 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCS[C@H](C(C)C)C1 1540901439 DJQYHVHEYCOKOP-KRWDZBQOSA-N 467.617 2.184 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1540906998 IVQTZOGVGBOXAQ-INIZCTEOSA-N 453.609 2.277 30 10 JEEE CC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](C(N)=O)C1)NC(=O)OC(C)(C)C 1545968249 BAVSFULIWQYQHA-ZWKOTPCHSA-N 453.547 2.432 30 10 JEEE CNC(=O)[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CC12CCN(C(=O)c1cnn(C)c1)CC2 1548378157 ZTRAQXKWUPAXQV-IBGZPJMESA-N 474.487 2.415 30 10 JEEE C#C[C@@H](NC(=O)c1cc(S(=O)(=O)NCCOC)ccc1Br)c1ccccc1 1557178270 LLTVGHKMGJLCKH-GOSISDBHSA-N 451.342 2.478 30 10 JEEE C=CCS(=O)(=O)CCNC(=O)N1CC[C@@H](C(F)(F)F)[C@@H](CNC(=O)OC(C)(C)C)C1 1564417264 QFGSELKQCSPIRO-UONOGXRCSA-N 457.515 2.322 30 10 JEEE CC1CCN(S(=O)(=O)c2ccc(C(=O)N(C)CCCc3[nH]nc(N)c3C#N)s2)CC1 1566443202 COWMGNIKGQNGCA-UHFFFAOYSA-N 450.590 2.050 30 10 JEEE C#CCCCn1c(Cc2ccccc2F)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1587865881 ZMAWIJWWYKIRPT-WMZHIEFXSA-N 452.578 2.410 30 10 JEEE C#CCCCn1c(Cc2ccccn2)nnc1N1CCCN(Cc2nc([C@H](C)OC)no2)CC1 1587868998 HOHCKHBJMGGXKS-IBGZPJMESA-N 464.574 2.480 30 10 JEEE C#CCCCn1c(Cc2cccnc2)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1587869465 NHWXAJKZVIZIJS-UHFFFAOYSA-N 468.558 2.327 30 10 JEEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1587884323 VCQGRQOPNRRVDQ-HYBUGGRVSA-N 475.597 2.131 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CCCCn1cc(Br)cn1 1588079495 YJLYGDHOSFBCDM-UHFFFAOYSA-N 481.358 2.438 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2CC2CCN(C(=O)OC)CC2)CC1 1588871709 NODRCGMKKIIAII-UHFFFAOYSA-N 482.585 2.099 30 10 JEEE C=C(C)Cn1c(N2CCN(CC(=O)N3CCCC[C@H]3C)CC2)nnc1[C@@]1(OCC)CCOC1 1593684300 UPZIEHHLXQGCGL-HYBUGGRVSA-N 460.623 2.029 30 10 JEEE C=CCn1c(-c2nnc(O)c3ccccc23)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1595387133 SJYPHINAIXDNCM-JKSUJKDBSA-N 451.531 2.147 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(Cc2cc(C)ccc2OC)CC1 1595523486 WDUSYYWOGGMMRS-UHFFFAOYSA-N 463.586 2.225 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](C[C@@H]2CCOC2)C1 1595761289 ZGOFSZJNBRBUGB-MOPGFXCFSA-N 488.614 2.169 30 10 JEEE C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H](c2ccc(C(F)(F)F)cc2)N(CC)CC)C1=O 1597707478 RJIAGFQZXYALPA-MRXNPFEDSA-N 454.449 2.181 30 10 JEEE CN(Cc1ccccc1)Cc1cn([C@@H]2CO[C@@H]3[C@H](NC(=S)Nc4cccc(C#N)c4)CO[C@@H]32)nn1 1616130679 OOZHJUKZMOALTM-MOUTVQLLSA-N 489.605 2.476 30 10 JEEE N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)CCNS(=O)(=O)c2cccs2)CC1 1634564307 AOLLXAGHXFHUPJ-QGZVFWFLSA-N 452.989 2.479 30 10 JEEE C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCN(Cc2nnnn2-c2ccccc2)CC1 1644859092 UDPRZXJAGHYGEZ-LJQANCHMSA-N 451.600 2.445 30 10 JEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCCc2ccccc2S(C)(=O)=O)cc1 1658320159 GBRHNUPXDFWEQH-UHFFFAOYSA-N 451.570 2.261 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@@H](C)N2CCOCC2)CC1 1690139304 GWYLEVKCEAPMNT-HXUWFJFHSA-N 464.614 2.194 30 10 JEEE C#CCSCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCC[C@@H](C(=O)NC)C1 1690170692 OQRHJIGGXOJUHA-GOSISDBHSA-N 493.637 2.394 30 10 JEEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1690235197 ZFSJHAKORYDWOQ-IUVQAAGXSA-N 457.369 2.295 30 10 JEEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1690294568 OIFAIWFMBCOULY-IBGZPJMESA-N 485.658 2.369 30 10 JEEE C=CCCCCn1c(Cc2ccccn2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1690465945 RXKIUAUVOVMWDS-NRFANRHFSA-N 474.631 2.251 30 10 JEEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1690508949 SWWRJOJLWVSLHZ-FDFHNCONSA-N 474.650 2.001 30 10 JEEE C=CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1690644847 UDXGIUMRCFPAQV-UHFFFAOYSA-N 462.963 2.348 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCC(=O)NCCC)C1 1690696491 CTQYARFZLDZUNR-INIZCTEOSA-N 451.531 2.292 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@]2(C)COCCO2)C1 1690700039 MUPZHKYOTLJRMN-YDIMBITNSA-N 493.605 2.173 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCC2(CC1)OC(=O)NC21CCC1 1690715836 VYNHXGQSDQCXDG-INIZCTEOSA-N 451.593 2.394 30 10 JEEE CC(=O)NC[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cnn(C)c2C)C1 1690942011 FBKYARDPLYMYDM-HXUWFJFHSA-N 462.558 2.172 30 10 JEEE C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(-c2ccccc2)no1 1692661438 DMRPCHHEGKETKY-OXQOHEQNSA-N 485.570 2.053 30 10 JEEE CN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CC1CN(C(=O)OC(C)(C)C)C1 1696838755 DWEFNUSCXPBVCM-UHFFFAOYSA-N 474.587 2.164 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1Cc1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1705562764 JXHPESZRXHJFBX-MRXNPFEDSA-N 460.947 2.273 30 10 JEEE C#CCN(CC#CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC1([S@@](C)=O)CC1 1705600581 FABFLUZLIULVJG-UUWRZZSWSA-N 478.666 2.017 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H](C)CN1CCCC1 1705606870 JDQZKJITKOUAQQ-LJQANCHMSA-N 458.632 2.387 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CC2CCS(=O)(=O)CC2)CC1 1705635230 UMIKPQUIAHBPJJ-QFIPXVFZSA-N 455.628 2.400 30 10 JEEE C=C(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1705725057 HMTGUGPQEKGHLA-IBGZPJMESA-N 462.595 2.310 30 10 JEEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 1705729459 YXWPRJFBUOJLMH-UGKGYDQZSA-N 454.575 2.339 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCCN(CC(C)C)C2)CC1 1705768957 FCRRRGUZGOYOKA-LEWJYISDSA-N 480.679 2.135 30 10 JEEE C=CC[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](OC)C1)c1ccccc1 1705797624 ZHRFTNPXDAORNV-HKBOAZHASA-N 475.615 2.196 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCN2CCOCC2(C)C)C1 1705916782 NKIVFIUGXDYPNO-HYBUGGRVSA-N 463.623 2.211 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1705935977 HJMOXWZZKLHWHN-SFHVURJKSA-N 490.586 2.008 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2C[C@H](C)S[C@@H](C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1705939560 ZSOLMOZAZGXWON-ABSDTBQOSA-N 458.650 2.250 30 10 JEEE CC(=O)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2C[C@@H](C)O[C@H](C)C2)CC1 1705976916 DBZBGZZNDIMMRG-WOJBJXKFSA-N 465.602 2.375 30 10 JEEE CC(C)(C)c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CC1(C(N)=O)CCOCC1 1706119136 HYQCZKCFWUUZMW-LJQANCHMSA-N 452.559 2.307 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1conc1COC 1722292644 WRLANJFXZOFZRW-MAUKXSAKSA-N 460.535 2.227 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2CCC(=O)N[C@H](C)CC)c1 1722309366 MWKWHDKCCDDBIE-QGZVFWFLSA-N 460.542 2.096 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC(=C)C)[C@H]1CCS(=O)(=O)C1 1722359505 NRRIDYBRYYFXTQ-KRWDZBQOSA-N 460.556 2.174 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1CCSC(C)C)[C@@H]1CCS(=O)(=O)C1 1722363400 SGQKDCSYHSNJIH-QGZVFWFLSA-N 462.597 2.442 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1Cc1ccc(N(CC)CC)nc1)[C@H]1CCS(=O)(=O)C1 1722367895 OUXQGZXJIANQGK-FQEVSTJZSA-N 458.632 2.393 30 10 JEEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCN(C)[C@H]1c1cccs1 1722373512 OFQDYTBLDURTIJ-NLWGTHIKSA-N 474.656 2.106 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC2(S(C)(=O)=O)CC2)CC1 1722442710 ZWKGUIRGEIPPPX-UHFFFAOYSA-N 485.654 2.487 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2([S@](C)=O)CCC2)CC1 1722443348 HGBFIXZBSMDXNW-UMSFTDKQSA-N 484.582 2.120 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2F)n1CCN1CCN(C(C)=O)CC1 1722498304 VQYMYLRLWNRKGM-XMMPIXPASA-N 454.550 2.152 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CCNC(=O)C(C)C 1722508213 RHKADAONWGMDDH-AVRDEDQJSA-N 493.612 2.382 30 10 JEEE C=C(C)COCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1722533212 LGKRXOCKYFDPGU-UHFFFAOYSA-N 453.522 2.187 30 10 JEEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1722608540 GWVLWFXQUGZMPP-JKSUJKDBSA-N 456.613 2.300 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@H](CC(N)=O)C1 1722689705 XLUCEDLWROIASJ-HZPDHXFCSA-N 460.966 2.466 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1722726133 WSOSLRHDXIZQAO-KRWDZBQOSA-N 452.625 2.119 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)CC2CCCCC2)CC1 1722728321 PRHDMEFHVOPADU-HXUWFJFHSA-N 479.647 2.002 30 10 JEEE Cc1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)no1 1724220764 DVQUBBAIIFCAIU-IBGZPJMESA-N 456.528 2.087 30 10 JEEE CCS(=O)(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1CC1(COC)CCOCC1 1729195579 GSDMPXQQOVFAEE-UHFFFAOYSA-N 461.588 2.131 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccc1SC 1740591605 PQFPWIKRAHIJSA-SFHVURJKSA-N 463.629 2.383 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccccc1C1OCCO1)[C@H]1CCS(=O)(=O)C1 1740616139 UCBLZZOETDEVLQ-SFHVURJKSA-N 458.584 2.296 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1740616936 JFCDHBZWKUALSO-FUMNGEBKSA-N 465.664 2.306 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@H]1CCN(CCC)C1)[C@@H]1CCS(=O)(=O)C1 1740626821 WJANTELZAMBXPO-RBBKRZOGSA-N 473.618 2.367 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCOCC(F)(F)C(F)F)[C@H]1CCS(=O)(=O)C1 1740627997 UVLZASZWFFDKLK-GJZGRUSLSA-N 482.500 2.063 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccc(C)cc1)N1CCOCC1 1740656731 MDLNLZSLOJXNIV-RPWUZVMVSA-N 495.649 2.025 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2CC(=O)NC2CCCCC2)CC1 1740699582 MKWPMTKHROMGQB-UHFFFAOYSA-N 450.587 2.370 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2oc3ccccc3c2C)CC1 1740700811 JCJIKTZNPHCMFG-UHFFFAOYSA-N 462.554 2.485 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC[C@H]2COCCO2)CC1 1740702244 KGKKIOMHYFDLQM-AVRDEDQJSA-N 485.560 2.329 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H]2CCN(CC(F)(F)F)C2)CC1 1740706291 RNGSTFAFFUKVTB-IEBWSBKVSA-N 482.551 2.022 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2Cc2nnc(C)s2)CC1 1740706872 GLNJPFSEUWEBOR-UHFFFAOYSA-N 465.583 2.052 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)Oc1cccc(F)c1 1740732313 YPZDFVSTYJWFJA-XTQVGHSUSA-N 491.589 2.210 30 10 JEEE C=C(Br)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1740740833 KOVOYXNHYRAUEA-UHFFFAOYSA-N 480.754 2.423 30 10 JEEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(C)[C@@H](C)c1ccc([S@](C)=O)cc1 1740959355 SNIIMUWVWUBSRI-GSUGNZJGSA-N 484.582 2.243 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2Cc2ccc(C(N)=O)nc2)C1 1740975890 YIPUJBKAIFGBCF-GOSISDBHSA-N 464.526 2.286 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(Cl)cc2)C1 1740981019 NKRSHBFCOHHDRZ-RBUKOAKNSA-N 482.006 2.094 30 10 JEEE CCCNC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)N2CCOCC2)C1 1745769147 DEJZCWMQLPNGIC-RBBKRZOGSA-N 495.628 2.192 30 10 JEEE CN(C)CCN1CCC(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](CC(N)=O)C2)CC1 1747591102 CDFCKLIYGJUKKZ-JOCHJYFZSA-N 478.645 2.182 30 10 JEEE CNC(=O)[C@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1748121064 DDASHSFBPQZLHN-AQNXPRMDSA-N 497.644 2.435 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H](C)SC)[C@H]1CCS(=O)(=O)C1 1748808681 FYJBCGJHXYNOKC-RDJZCZTQSA-N 462.597 2.095 30 10 JEEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1C[C@@]1(C)CCCO1)[C@@H]1CCS(=O)(=O)C1 1748824539 PZIHNVALRZBJIK-WZONZLPQSA-N 474.583 2.062 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC(C)(C)N2CCOCC2)CC1 1749000418 VPVMIIKMVNAXJU-NHCUHLMSSA-N 458.651 2.063 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2csc(CC)n2)CC1 1749003154 AAPQNLJBKJMAMQ-XMMPIXPASA-N 486.642 2.352 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CC(F)(F)Br)CC1 1749017025 SYVHPTCYCCZQAI-UHFFFAOYSA-N 467.318 2.217 30 10 JEEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2nccc(OC)n2)CC1 1749028727 HAPPWUWRTXUZTN-UHFFFAOYSA-N 460.567 2.308 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@](O)(c1ccccc1)C(F)(F)F 1749053846 MTKSLMDJDBVULB-CWFSZBLJSA-N 485.532 2.331 30 10 JEEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1749199423 QFRBQEINWZONIN-HXUWFJFHSA-N 487.674 2.077 30 10 JEEE C=C(Cl)Cn1c(COc2ccccc2OCC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1749281829 MBZKLEGVKQLUPO-INIZCTEOSA-N 474.949 2.481 30 10 JEEE COCC1(CCn2c(-c3cccc(C#N)c3)nnc2N2CCN(CC(=O)N(C)C)CC2)CCC1 1749393677 ADOJZRQOSYDNFD-UHFFFAOYSA-N 465.602 2.234 30 10 JEEE COCc1nc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2ccc(C#N)cc2)cs1 1749453070 DKYZVMUZOSPDER-KRWDZBQOSA-N 472.596 2.339 30 10 JEEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1749459250 CWUCUHLDVZRAAY-LJQANCHMSA-N 450.609 2.136 30 10 JEEE C=CCN(CCOC)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@]1(O)CCS(=O)(=O)C1 1749592242 DSICBVIADNOSGH-JOCHJYFZSA-N 480.656 2.464 30 10 JEEE C=CCn1c(Cc2csc(C)n2)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1749634992 QBLCGSBVRWJHNK-UHFFFAOYSA-N 458.613 2.472 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@](C)(CC)C1 1749725418 UCRXVWAWITXUFO-JOCHJYFZSA-N 495.671 2.423 30 10 JEEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1C1CCC1 1749756133 SUCOEAMPEQRTIQ-ZWKOTPCHSA-N 455.650 2.299 30 10 JEEE N#C[C@H]1CN(c2nnc(CN3CCCC3=O)n2CCc2ccc(Br)s2)CCO1 1750387774 AQJBFIONCQUMJH-ZDUSSCGKSA-N 465.377 2.196 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2C[C@H]2CCOC[C@H]2OC)c1 1760124843 BSEDTHJPQPGSGF-IFMALSPDSA-N 460.538 2.448 30 10 JEEE C#CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(NC(C)=O)CC1 1760139023 OZWXMCFIMVABLF-HXUWFJFHSA-N 474.606 2.495 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCN1CCCCCC1)[C@@H]1CCS(=O)(=O)C1 1760184309 VJDKGKNCODEVKZ-OAQYLSRUSA-N 486.598 2.356 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCCOC[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 1760185124 QDTNJMRTBYWJTL-FCHUYYIVSA-N 483.594 2.029 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(OC)ccc2Br)n1CCCNS(C)(=O)=O 1760212694 BEMJCIOTYDKVIN-UHFFFAOYSA-N 494.415 2.118 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2oc3ccccc3c2OC)CC1 1760265373 ZMLFPKPRFLITIN-UHFFFAOYSA-N 478.553 2.185 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)CC1 1760272118 ZKAATSHAUPGYKV-SFTDATJTSA-N 493.656 2.118 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCCN2C[C@H](C)C[C@@H](C)C2)CC1 1760273229 MDAIBCVZCDUOPA-KCZVDYSFSA-N 456.635 2.463 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](C(=O)NCCCC)C1 1760336287 WXEMTXNXHGVTIE-HDAAZOAOSA-N 458.607 2.343 30 10 JEEE C=C(C)COCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCO[C@H](CNC(C)=O)C1 1760355451 LDDMMMMSRWDSAN-JOCHJYFZSA-N 465.558 2.065 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1760411392 KXCWNFXRGGZCMA-QHAWAJNXSA-N 485.677 2.458 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC([C@@](C)(O)C(F)(F)F)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1760529149 XYLQXAQIAAXSHW-NHCUHLMSSA-N 489.539 2.151 30 10 JEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N(C)Cc1cc2ccccc2o1 1760557548 OVXHDSUNIAYNHV-UHFFFAOYSA-N 457.556 2.384 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCN1CCC[C@H]1C(=O)N(C)C 1760692352 DYILSTORSLDCLN-ICSRJNTNSA-N 481.601 2.255 30 10 JEEE CSC1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(NS(C)(=O)=O)CC2)CCOCC1 1770458484 FOWMIUBQVYYDJS-UHFFFAOYSA-N 490.655 2.247 30 10 JEEE Nc1cccc(C(=O)C2=C(O)C(=O)N(CCCN3CCCC3=O)[C@@H]2c2ccc(O)c(O)c2)c1 1862557753 PEBWGJJOGQSFHF-OAQYLSRUSA-N 451.479 2.271 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(O)c(O)c2)cc1 1862688806 BBIZMWJWUNICIU-NRFANRHFSA-N 454.479 2.017 30 10 JEEE COc1cccc(-n2nnc(C#N)c2NC(=O)[C@@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2)c1 1870149681 NIVNACUHCFQNDS-QGZVFWFLSA-N 490.520 2.194 30 10 JEEE CN(C)c1ccc(-n2nnc(C#N)c2NC(=O)CN2C(=O)COc3ccc(Cl)cc32)cc1 1870160381 OLFKQMZIWBRLSW-UHFFFAOYSA-N 451.874 2.222 30 10 JEEE C=CCn1cc(OCC(=O)Nc2cccc(C(=O)OCCCC)c2)c(=O)cc1CN1CC(O)C1 1870390161 WGYZSYNCMSVXCO-UHFFFAOYSA-N 469.538 2.185 30 10 JEEE COc1cc(/C=N/Nc2cnn([C@H]3CCS(=O)(=O)C3)c(=O)c2Br)cc(Cl)c1O 1873527427 YZDUBADVYMPMPT-PODRTGRWSA-N 491.751 2.179 30 10 JEEE CC(C)N1C[C@@H](c2nnc(SCC(=O)Nc3nccs3)n2/N=C/c2cccn2C)CC1=O 1874333410 OIDUCBDJYDOSCQ-KHAGQWAKSA-N 472.600 2.410 30 10 JEEE Cc1cc(Br)ccc1S(=O)(=O)N1CCC(OCC#CCN2CCN(C)CC2)CC1 1889659583 MYLBICMDSLSTJV-UHFFFAOYSA-N 484.460 2.178 30 10 JEEE CC(=O)Nc1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)NCC#CCN(C(C)C)C(C)C)cc1 1890893305 VODXDIGMXDQJDO-HSZRJFAPSA-N 476.643 2.427 30 10 JEEE C#CCN(C(=O)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1 2180120086 RAEZSKVTCWTMES-BWKNWUBXSA-N 490.622 2.479 30 10 JEEE CC(C)(C)OC(=O)N1Cc2nncn2C[C@H]1C(=O)N1CCC=C(B2OC(C)(C)C(C)(C)O2)C1 2189204843 BZIJHCLGRQHKFN-INIZCTEOSA-N 459.356 2.188 30 10 JEEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](C)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 2222513206 NQDOCXZIQZTXLI-DGGJZMOXSA-N 453.580 2.417 30 10 JEEE CON(CCNC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2247880723 KJJWEUZUCVCMGO-UHFFFAOYSA-N 462.399 2.124 30 10 JEEE CC(C)(C)OC(=O)NC1CN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2247901708 ONADGXDNZMLPAV-UHFFFAOYSA-N 458.411 2.086 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2255702381 FTZCAIVGWUEVQK-KBPBESRZSA-N 452.382 2.147 30 10 JEEE CC1(C)OB(c2c[nH]c(C(=O)NC[C@@H]3CN(C(=O)OCc4ccccc4)CCO3)c2)OC1(C)C 2255854668 FLIFEWOHXNYZDY-LJQANCHMSA-N 469.347 2.081 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](O)CN1C(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2255880110 ZTNDWMKWHXTGFP-UONOGXRCSA-N 452.382 2.147 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2C(NS(=O)(=O)c3sccc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2255947960 HCYLENLEGAZAFW-STQMWFEESA-N 470.422 2.191 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@H]1C(=O)NCc1sccc1B1OC(C)(C)C(C)(C)O1 2256659965 AIUCDQSGBMDAPL-UKRRQHHQSA-N 452.382 2.203 30 10 JEEE CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)o1 2267130815 SQLUGVWTMZEQOC-HOCLYGCPSA-N 450.341 2.251 30 10 JEEE C[C@@H]1CCN(C(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)[C@H](C)[C@H]1NC(=O)C(F)(F)F 2267164173 OFUJQLSERDEIMT-WZRBSPASSA-N 461.315 2.360 30 10 JEEE CC(C)(C)OC(=O)NCCc1nc(NC(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)n[nH]1 2267293050 LQQCMMMEEDMWOO-UHFFFAOYSA-N 463.369 2.485 30 10 JEEE CCOC1(C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)CN(C(=O)OC(C)(C)C)C1 2268638718 VJIPECVFAQUQEJ-UHFFFAOYSA-N 467.397 2.085 30 10 JEEE Cc1cc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)OC(C)(C)C)sc1B1OC(C)(C)C(C)(C)O1 2268649846 FYVWXLAULHAHMD-ZBFHGGJFSA-N 466.409 2.342 30 10 JEEE CC(C)(C)OC(=O)NCc1cc(C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)no1 2268721106 GZOQZSBSDTVKRN-UHFFFAOYSA-N 464.353 2.385 30 10 JEEE CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1cc(B2OC(C)(C)C(C)(C)O2)cs1 2268722826 IRUAJXHTHKPWSX-KRWDZBQOSA-N 467.441 2.461 30 10 JEEE Cn1cc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C3(CC3)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2281974538 XNNDOBCHPYFRMP-OAHLLOKOSA-N 460.384 2.381 30 10 JEEE Cc1ccnc(C(=O)N2CC[C@H](NC(=O)C(F)(F)F)[C@@H](C)C2)c1B1OC(C)(C)C(C)(C)O1 2282004834 MBIRYWAUSBDVIS-KBPBESRZSA-N 455.286 2.218 30 10 JEEE Cc1c(B2OC(C)(C)C(C)(C)O2)cccc1C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1CO 2282122019 GHPUBRZXDVEUSA-KRWDZBQOSA-N 460.380 2.348 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@@]2(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2282200166 NIPQAFNYJMERNG-WNSKOXEYSA-N 461.368 2.070 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2[C@H]3CC[C@@H]2C[C@@H](NC(=O)OC(C)(C)C)C3)n1 2282545363 WICKLMNHAMZHQF-PHZGNYQRSA-N 460.384 2.380 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@H]3CN(Cc4ccccc4)C[C@@H]3C2)n1 2282546333 VBPYVZZRFSBWFH-VQTJNVASSA-N 450.392 2.313 30 10 JEEE C[C@H]1CN(C(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)C[C@H](C)C1NC(=O)OC(C)(C)C 2282566507 ZTCIOZKMSLFUHD-GJZGRUSLSA-N 462.400 2.341 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1CO 2282577692 IGIDTBPHPOHEPO-GJZGRUSLSA-N 481.424 2.098 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N=[S@](C)(=O)C2CN(C(=O)OC(C)(C)C)C2)n1 2282595392 TUGSRXVBEGVYAU-MGBGTMOVSA-N 482.412 2.060 30 10 JEEE CO[C@@H]1C[C@H](CNC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)N(C(=O)OC(C)(C)C)C1 2282664444 CTHOVRGKEQCBLH-HZPDHXFCSA-N 461.368 2.135 30 10 JEEE Cc1cc(C(=O)N[C@]2(CO)CCN(C(=O)OC(C)(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2282701619 XNWGMXQAGABPHL-XMMPIXPASA-N 460.380 2.396 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CCc2sc(B3OC(C)(C)C(C)(C)O3)cc2C1 2283955916 NVRMSFQFAYPNFR-CVEARBPZSA-N 478.420 2.302 30 10 JEEE CC(C)(C)OC(=O)N1CC(=O)NC[C@@H]1C(=O)Nc1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2283958384 YQCSVIDOBMZHCP-MRXNPFEDSA-N 479.770 2.313 30 10 JEEE CC1(C)OB(c2ccccc2S(=O)(=O)N2CCC[C@@H](NC(=O)C(F)(F)F)CC2)OC1(C)C 2286110931 FJZJVLRWOBQISM-CQSZACIVSA-N 476.326 2.208 30 10 JEEE COCCCN1C(=O)C(=O)C(=C(O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@H]1c1cccc(OC)c1 2297746641 XISMQIFVDIUECZ-OAQYLSRUSA-N 488.562 2.404 30 10 JEEE CCOc1ccc(C=NNc2cnn([C@@H]3CCS(=O)(=O)C3)c(=O)c2Br)cc1 2322659862 YZGFBFMKPSDGRU-CYBMUJFWSA-N 455.334 2.210 30 10 JEEE COc1cc(C=Nn2c(SCCO)nnc2[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc(OC)c1O 2325924502 PBZMZIXNFHZUFL-GOSISDBHSA-N 497.577 2.484 30 10 JEEE Cn1ncc(C(=O)N[C@H]2C[C@@H]3C[C@H]2CN(C(=O)OC(C)(C)C)C3)c1B1OC(C)(C)C(C)(C)O1 2359263419 UCJOLQLVSCIMSV-ZOBUZTSGSA-N 460.384 2.095 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(C)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2F)n1C 2369674369 RPWACLZWQQQRGY-LSDHHAIUSA-N 466.363 2.057 30 10 JEEE CCOC(=O)C(=O)NCc1ccc(/C=C2/C(=O)C(C(=O)OC)=C(C)N2c2ccc(F)cc2)o1 3672163 JEGCMXNMUONHFV-WQRHYEAKSA-N 456.426 2.475 30 10 JEEE COc1cc(OC)cc(C(=O)/N=C(\NCCN2CCOCC2)Nc2ccc3c(c2)OCCO3)c1 46135086 INYALZZLJFAYOX-UHFFFAOYSA-N 470.526 2.005 30 10 JEEE CCOc1cc([C@@H]2C3=C(O)N=C(NCc4ccc5c(c4)OCCO5)NC3=NC(=O)[C@@H]2C#N)ccc1O 72472486 MVPVQQMADJMRCO-QRWLVFNGSA-N 489.488 2.243 30 10 JEEE N#Cc1c(N)n[nH]c1CCCCCNC(=O)C1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1 96610848 STJHBYAUJLQLNX-VBKFSLOCSA-N 470.599 2.405 30 10 JEEE CON=C(N)c1ccc(CNC(=O)[C@@H]2CCN2C(=O)[C@H](O)c2cc(Cl)cc(C(F)F)c2)cc1 725391250 BTTROEIPEIVELH-ZWKOTPCHSA-N 480.899 2.495 30 10 JEEE CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CCc1ccccc1 729668855 SGSROUBHDUNEDT-UHFFFAOYSA-N 471.586 2.075 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H](C)c2cccc(NS(C)(=O)=O)c2)ccc1F 915611848 YDVMZGQCEHJUNJ-ZDUSSCGKSA-N 455.533 2.153 30 10 JEEE CC(=O)Nc1cccc(NC(=O)CSc2nnc(NN=Cc3ccc(N(C)C)cc3)n2N)c1 1084304981 OHSLOIWOPIVNPU-UHFFFAOYSA-N 467.559 2.193 30 10 JEEE C=CCO[C@H]1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C(=O)OCC)cc3)CC2)C1 1127506634 FOMUYUSORYLSOA-IBGZPJMESA-N 450.557 2.068 30 10 JEEE C#CCNC(=O)CN1CCN(C(=O)C(C)(C)[C@H](NC(=O)OC(C)(C)C)c2ccccc2)CC1 1157009572 PNOTVWWICSRYKA-OAQYLSRUSA-N 456.587 2.172 30 10 JEEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCCN(c2nccc(OCC)n2)CC1 1286312197 RZCJCFHJUXVDQI-UHFFFAOYSA-N 454.579 2.125 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1cc(COC(C)(C)C)on1)[C@@H]1CCS(=O)(=O)C1 1286387530 SBUKFZBGXWFVPO-QGZVFWFLSA-N 472.571 2.251 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCCC(C)(C)COC)[C@@H]1CCS(=O)(=O)C1 1286391583 FBMLQUZAADZVPF-RBUKOAKNSA-N 452.621 2.252 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2ccccc2OC)n1C[C@@H](N1CCOCC1)C(F)(F)F 1286411133 MUNPAVBXIXYVAA-HXUWFJFHSA-N 461.488 2.213 30 10 JEEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1286500970 IOSACUHLYFSLMB-ZWKOTPCHSA-N 451.604 2.206 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCOC2=O)cc1 1286566765 ISVOZCBTJUSLNG-MRXNPFEDSA-N 462.576 2.296 30 10 JEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(N3CCC(CO)CC3)cc2)CC1 1286637849 NVBZAUQNARTLOW-IBGZPJMESA-N 488.658 2.302 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(=C)Cl 1286765798 KDFVOMWLTJEYLM-KRWDZBQOSA-N 455.968 2.192 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1286799314 TVSMEUSWPZSHGM-ZIFCJYIRSA-N 496.655 2.051 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1286818418 IKWKUMQKTDIONK-UHFFFAOYSA-N 472.615 2.170 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@H](C)[C@@H](C)C1 1286819330 GYMKAYFJRYEPCO-IRXDYDNUSA-N 470.599 2.275 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CC1(N(C)C)CCC1 1288144878 DEMVXPINEGSLMH-UHFFFAOYSA-N 478.645 2.485 30 10 JEEE C[C@@H](Oc1ccccc1F)c1nnc(N(C)[C@H](C)CC#N)n1CCN1CCCS1(=O)=O 1288948308 FHSKSTUZRVCYGW-HZPDHXFCSA-N 450.540 2.331 30 10 JEEE CC1CCN([C@@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(OCC(N)=O)CC2)CC1 1291143936 GEVRCOCFAJDDKW-FQEVSTJZSA-N 495.628 2.320 30 10 JEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(OC)c(S(=O)(=O)NC2CC2)c1 1293744880 CWRWNHNYYLODSF-MRXNPFEDSA-N 451.545 2.381 30 10 JEEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCCN(c2nc(C)ns2)CC1 1294886869 BQPGJSIZXBOCGD-UHFFFAOYSA-N 465.587 2.220 30 10 JEEE CNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCCC(C)(C)C2)CC1 1299287058 AANCTZFVHWEIDB-UHFFFAOYSA-N 480.617 2.312 30 10 JEEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(C)s1)[C@H]1CCS(=O)(=O)C1 1300503146 AVURTTAHZHTOAT-INIZCTEOSA-N 489.648 2.315 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1C[C@@H](C)N1CCN(c2ccccc2)CC1 1300574787 KMXMHVHLISJIRO-JOCHJYFZSA-N 456.598 2.352 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(F)(F)C1(OC)CCOCC1 1300618676 MBYQREPJJNXGBN-UHFFFAOYSA-N 486.523 2.482 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2C[C@](C)(O)c2ccco2)CC1 1300718989 KGDQWESXFJUCEU-VWLOTQADSA-N 463.538 2.420 30 10 JEEE C=C(C)COCCn1c(COc2ccc(Br)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1301000571 UESCFRPXIDVSOA-KRWDZBQOSA-N 491.390 2.426 30 10 JEEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1301491806 ZLGXNNOBXKVTLE-GOSISDBHSA-N 463.586 2.480 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CC(=O)N[C@@H]3CCCC[C@H]32)cc1 1301519905 AGUPEAVPQOCGID-WOJBJXKFSA-N 452.559 2.277 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(NC(N)=O)cc2)C1 1301565590 IPHIBKBNTSGHKQ-HXUWFJFHSA-N 450.547 2.460 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCS[C@H](C)[C@@H]1C 1301587427 VJLHQYBLUOOPOJ-DLBZAZTESA-N 460.629 2.448 30 10 JEEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCN2S(C)(=O)=O)CCS1 1305205414 HSEJPTKABHYLPL-SJLPKXTDSA-N 476.628 2.094 30 10 JEEE COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC[S@@](=O)C(C)(C)C)CCO1 1315949203 ARJCRYVEBKBAGF-AYLZSAKASA-N 461.588 2.128 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(NC(=O)CC(C)C)c1 1358872262 RSMWTIWZRQRZAE-IRXDYDNUSA-N 460.604 2.379 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@@H](CC)OC)[C@H]1CCS(=O)(=O)C1 1358964399 YMDBZPYDVXBLTF-JKSUJKDBSA-N 452.527 2.199 30 10 JEEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCCCS1)[C@H]1CCS(=O)(=O)C1 1358966364 NIIXKZGHXXJUGI-IRXDYDNUSA-N 493.680 2.182 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1(S(C)(=O)=O)CCCC1 1358974776 QQMZQUFOJDHKOY-UHFFFAOYSA-N 454.552 2.147 30 10 JEEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)(C)c1ccc2c(c1)OCCO2 1359000374 TXNRXKPAEADTSR-MRXNPFEDSA-N 461.588 2.097 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCCC(=O)N(CC)CC)CC1 1359033384 ZZCUYBVAEFXIPZ-UHFFFAOYSA-N 466.586 2.120 30 10 JEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)CC1 1359159081 MVYWFGXJCRQHQM-HOTGVXAUSA-N 456.613 2.300 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(N2CCCNC2=O)CC1 1359188172 HVBZJQSCOJRXDK-QGZVFWFLSA-N 464.636 2.167 30 10 JEEE C=CCCOCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](CC(N)=O)C1 1359228297 ZDBUHICGUJYEEF-RBUKOAKNSA-N 492.621 2.271 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O)C(C)C 1359266229 WUCIZFRTFQHZFU-PCFDSBEJSA-N 491.702 2.476 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1359293382 OMLWJLRWXQMIJF-RBUKOAKNSA-N 483.548 2.270 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc3cccnc23)nnc1N1CC[C@@H](C(=O)OC)C1 1359329912 ZCMIGCLJFMSZDZ-QGZVFWFLSA-N 455.540 2.093 30 10 JEEE CC(C)[C@@](C)(O)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1359653121 BHBJUXCYSRITRM-YKSBVNFPSA-N 452.559 2.257 30 10 JEEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1507589769 ZVFJUTOMQIRSOA-MOPGFXCFSA-N 487.605 2.040 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CC(C)(C)OC)[C@@H]1CCS(=O)(=O)C1 1507625765 KWRYFILGTPZIHS-CQSZACIVSA-N 470.393 2.087 30 10 JEEE C#CCN(c1nnc(COc2ccccc2OC)n1Cc1c(CC)noc1C)[C@@H]1CCS(=O)(=O)C1 1507638843 HGMQBOXLGGXJFG-GOSISDBHSA-N 499.593 2.400 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(OC)c2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1507663065 QZFVZJUFTLIEQQ-QHCPKHFHSA-N 462.598 2.359 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](c1ccsc1)N(C)C 1507763346 APUVLNBWEWTYDS-XAUMDUMWSA-N 450.634 2.245 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1507800817 YFEPKNFKEHYQDF-SCTDSRPQSA-N 456.595 2.380 30 10 JEEE C=C(C)Cn1c(N2CCN3C(=O)N(CC)C(=O)[C@@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1507836777 ZTMJROPNJPLONH-BBWFWOEESA-N 473.578 2.098 30 10 JEEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1507846109 CMUSXCCQDIZNER-JOCHJYFZSA-N 481.645 2.380 30 10 JEEE C=C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@H]2CCOC[C@@H]2OC)CC1 1507877202 CLWPLRICRIXYFN-FPOVZHCZSA-N 475.615 2.403 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@H](c2noc(C)n2)C1 1508077249 XWRZVJQZBLGAEF-KSSFIOAISA-N 471.493 2.129 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(CC(C)C)n2C[C@H]2CCC[C@@H]2N2CCCS2(=O)=O)C1 1508121829 AOLNGCFXSGJCQY-AQNXPRMDSA-N 451.637 2.462 30 10 JEEE C[C@H](N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC(F)F)CC1)C(F)(F)F 1510141860 HOZYKSKLWOENLX-ZDUSSCGKSA-N 471.434 2.271 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](c1cccs1)N1CCCC1 1538974509 SWXYMGGMMWQVQK-BBWFWOEESA-N 450.634 2.245 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCNC(=O)C1CCC1 1539011483 BYMUDMKKQCYUES-IEBWSBKVSA-N 474.606 2.351 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1C[C@@](C)(O)C1CC1)[C@H]1CCS(=O)(=O)C1 1539229468 DTYGYLCYAIGOSM-GBXCKJPGSA-N 472.611 2.262 30 10 JEEE C#CCSCCn1c(COc2cccc(C)c2)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1539526944 XDJJFBPAFDHIAW-LJQANCHMSA-N 458.609 2.159 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1539624545 UFALCJBCXPKRQT-GMAHTHKFSA-N 463.586 2.008 30 10 JEEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)Nc2c(C)cccc2C)CC1 1539704794 IYPYOUXYTHPPEM-HXUWFJFHSA-N 486.642 2.134 30 10 JEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCN(C)C(=O)OC(C)(C)C)CC1 1539873994 IPHOAPFTQMXXCL-OAHLLOKOSA-N 456.613 2.158 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNc1nccc(C(F)(F)F)n1 1540169229 ABMJYNYEHIUQNH-CQSZACIVSA-N 471.509 2.280 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(=O)N1CCOCC1 1540169828 IUJUOMYGDKMLRE-IBGZPJMESA-N 490.605 2.014 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cnn(-c2ccccc2)c1 1540201207 QLNLPYDVEXMFQV-IBGZPJMESA-N 456.572 2.053 30 10 JEEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCO[C@H](C(C)(C)C)C1 1540864304 VTVAXTSWDAUWSQ-KRWDZBQOSA-N 489.646 2.100 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1540865860 VBQPRKYXOPOGAS-BFUOFWGJSA-N 482.404 2.456 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@](C)(OC)CC1 1540871164 FXPACHSZVCDGSG-MHECFPHRSA-N 492.621 2.284 30 10 JEEE C=CCNC(=O)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1C[C@@H](C)C[C@@H](C)C1 1540873590 CYVAQYWWBXQAPV-SZPZYZBQSA-N 465.646 2.427 30 10 JEEE CC(C)[C@@](C)(O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1541292598 HEFOJCIPXXRZNK-DEOSSOPVSA-N 469.565 2.258 30 10 JEEE CCn1cc([C@H]2CN(c3nnc(COc4ccc(C#N)cc4)n3CC(C)(C)C(=O)NC)CCO2)cn1 1547609902 GOKAMTPJGUFDBD-OAQYLSRUSA-N 492.584 2.295 30 10 JEEE COCC1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(S(C)(=O)=O)CC2)CCOCC1 1555296663 BBQPQAVMCXHELT-UHFFFAOYSA-N 473.599 2.273 30 10 JEEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(c2cc(OC)cc(OC)c2)CC1 1587851041 BQFDLHCLXZQAGM-OAQYLSRUSA-N 452.559 2.377 30 10 JEEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1ccnc(OC2CCOCC2)c1)[C@@H]1CCS(=O)(=O)C1 1588030209 QVBPFBAUISYMBT-AZUAARDMSA-N 487.626 2.419 30 10 JEEE C#CCN(c1nnc(C2CC2)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1588050620 UAISBTFGMXPABC-SJLPKXTDSA-N 465.620 2.285 30 10 JEEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1CCOC[C@H]1OC 1588276044 GIQBUVUGDXCLLV-QZTJIDSGSA-N 460.604 2.058 30 10 JEEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc(N(C)C)nc1 1588310292 XTDJNEKPGPWKKM-UHFFFAOYSA-N 452.588 2.207 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccc(OC)cc1)N1CCCC1 1588385175 FSULKBWFPKKTSV-RBBKRZOGSA-N 471.627 2.485 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2sccc2c1 1588388032 XNBBUYSZZQXXHF-GOSISDBHSA-N 459.597 2.334 30 10 JEEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2csc(C)n2)CC1 1589287656 CPVOVGYMFNSUML-UHFFFAOYSA-N 468.425 2.412 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCN(C(C)=O)C[C@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 1589577225 ATRUWRNLBFBQRG-ZGDJDIHISA-N 461.607 2.357 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(N(C)C(C)=O)CC1 1595659081 RRVOOBWZHSFCIK-FQEVSTJZSA-N 487.626 2.240 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1595805996 ZCEDFAOXHGHCMW-SFHVURJKSA-N 478.590 2.383 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 1595812236 PVZQQAICRQCSKN-KRWDZBQOSA-N 453.609 2.182 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC(Oc2cncc(Cl)n2)CC1 1595831432 QKCKDRWVIKFFQR-MRXNPFEDSA-N 482.994 2.222 30 10 JEEE COC[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1619576082 GXSRGGCIKAALQZ-GOSISDBHSA-N 476.585 2.479 30 10 JEEE COC[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCC(O)CC2)C1 1619702497 FVQJSMQGXLZTOF-OAQYLSRUSA-N 468.602 2.438 30 10 JEEE C=CCO[C@H]1CCN(C(=O)Nc2ccc(CC(=O)N3CCN(c4ncccn4)CC3)cc2)C1 1622810241 CQJYKLOVKRUJQP-NRFANRHFSA-N 450.543 2.177 30 10 JEEE C=C[C@@H]1OCCC[C@H]1NC(=O)CS[C@H](C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 1637084870 BSEUHCWIVHRDMZ-QRQLOZEOSA-N 458.584 2.394 30 10 JEEE C#CCCCn1c(N2CCN([C@H](C(N)=O)c3ccccc3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1689941829 VLSIJURHBUPYSX-BKMJKUGQSA-N 480.613 2.081 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@@H](C)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1689984693 SQWMQCGMMBFQOR-WBVHZDCISA-N 477.587 2.386 30 10 JEEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCc2ccc(OC(F)(F)F)cc2)CC1 1690130151 ARLRCCLIVZBUOT-UHFFFAOYSA-N 476.503 2.297 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2CC[C@H](N2CCOCC2)C(F)(F)F)CC1 1690130816 NEXDDYNSHCCZHB-IBGZPJMESA-N 482.576 2.339 30 10 JEEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1690165969 PDZXWIREUFMPMQ-XXBNENTESA-N 477.638 2.172 30 10 JEEE C=CCn1c(N2CCN(c3nccc(OC)n3)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1690653264 JUDDNSQYFZDGBU-CALCHBBNSA-N 470.578 2.360 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1690660726 NQJUSHHMEILPTO-DVECYGJZSA-N 487.626 2.352 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1690675785 FIFBIRODFIYFGC-VWLOTQADSA-N 469.586 2.496 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](CNC(=O)c2ccccc2)C1 1690678039 JBPFYCZYNLRMAQ-AZUAARDMSA-N 452.559 2.078 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CC[C@H](CN2CCOCC2)C1 1690719540 OMDOQHJELZVVLK-OAQYLSRUSA-N 473.643 2.267 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1692518745 GVFCBBGCPIGSPH-QFIPXVFZSA-N 465.602 2.447 30 10 JEEE CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1CC(=O)N(C)C1CCCCC1 1694789673 BXYUQHIHOCVLFS-NRFANRHFSA-N 479.585 2.235 30 10 JEEE CNC(=O)[C@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCCO[C@@H](C)C2)C1 1696926377 AWKMYHCLFQFMNS-RXFWQSSRSA-N 495.628 2.192 30 10 JEEE C#CCCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(CCOC)CC1 1705509910 LJSUSPIVVOCTNV-UHFFFAOYSA-N 473.647 2.119 30 10 JEEE C#CCCCn1c(Cc2csc(C)n2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1705536088 IMPAZLBBEGRCFR-UHFFFAOYSA-N 468.587 2.104 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H](C)c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1705566765 RATOCZQUQJAYOV-APWZRJJASA-N 454.531 2.305 30 10 JEEE C#CCN(c1nnc(-c2cn(C)c3ccccc23)n1CCSCCCO)[C@H]1CCS(=O)(=O)C1 1705567186 VOJNMJLVRDCSLX-SFHVURJKSA-N 487.651 2.179 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC(=O)NCC(F)(F)F 1705603861 YLVXGUCJQAUDHO-IYBDPMFKSA-N 482.507 2.190 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccsc1 1705619754 ALHZGNDCUVTJBG-FQEVSTJZSA-N 489.598 2.500 30 10 JEEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC2CCOCC2)CC1 1705731348 ULXJVGADURBMRR-UHFFFAOYSA-N 469.590 2.067 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1705895587 LSXDTQDJMAKBEH-CJNGLKHVSA-N 451.369 2.210 30 10 JEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](c2ccccc2F)C1 1705907688 UFVXYDGAHHXAKR-HXUWFJFHSA-N 453.522 2.159 30 10 JEEE CCCNC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2ccn(C)n2)C1 1709819716 CDHLWZYXLSKZMF-HXUWFJFHSA-N 476.585 2.448 30 10 JEEE C#CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1722314320 LPVGEAOHSRRHBQ-IAGOWNOFSA-N 480.660 2.300 30 10 JEEE C#CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@]2(CCOC2)C1 1722317601 UHAUZMZQKZNAPM-YADARESESA-N 475.590 2.386 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CCN1CCOCC1(C)C)[C@H]1CCS(=O)(=O)C1 1722358776 GCQGJXNNZRUUOH-QFIPXVFZSA-N 485.654 2.245 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC1(SC)CCOCC1)[C@H]1CCS(=O)(=O)C1 1722365363 DLTYDDWWXGPRQG-SFHVURJKSA-N 475.640 2.187 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1Cc1snnc1C)[C@H]1CCS(=O)(=O)C1 1722366798 SMNBZEBXAJITRT-HOTGVXAUSA-N 490.586 2.392 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2ccc(F)cc2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1722383072 HFQKHDIODAAMGX-JOCHJYFZSA-N 450.562 2.024 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](CC=C)c1ccccc1 1722412591 BPLAKLNLOMERNS-SFTDATJTSA-N 457.600 2.430 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCc2cc(C(F)(F)F)ccn2)CC1 1722432502 AIYIKMBPLCYFST-JOCHJYFZSA-N 478.519 2.342 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2cccc(N(C)C)c2)CC1 1722443372 HWXBBLMVYNKPRB-AREMUKBSSA-N 480.613 2.010 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2Cc2cnn(CC)c2)CC1 1722443404 SGDKWUAUVXENOQ-UHFFFAOYSA-N 477.569 2.193 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 1722491299 JUQGIKXYQVOGNJ-LNLFQRSKSA-N 476.603 2.166 30 10 JEEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2ccccc2OCC)CC1 1722523369 PRKOJWPCSCGJTP-SFHVURJKSA-N 473.599 2.117 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 1722679616 HGMACNPLSOLQJG-OKYOBFRVSA-N 474.606 2.371 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C)c(Br)c2)nnc1N(CCS(C)(=O)=O)C1CC1 1722694483 WXEPTVQNPWBFNT-UHFFFAOYSA-N 496.431 2.332 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC(NC(=O)c2ccccc2C)CC1 1722700876 XUURIQQIKKVVRS-UHFFFAOYSA-N 473.581 2.273 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@H]1CSC 1722726764 FENUMSWHMDFCCJ-INIZCTEOSA-N 488.639 2.125 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCO[C@H](C(C)C)C1 1722728249 UDMKRUDYQHJZNC-SFHVURJKSA-N 472.571 2.056 30 10 JEEE C=CCSCCn1c(N2CCN(C3CCOCC3)CC2)nnc1[C@@]1(OCC)CCOC1 1722739663 KCRRECMJBAQFFK-JOCHJYFZSA-N 451.637 2.150 30 10 JEEE CCCn1nc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H](C)COC)c2ccccc2c1=O 1728161841 AHKVXXQHMYTXDZ-SJORKVTESA-N 451.531 2.076 30 10 JEEE CS(=O)(=O)NC[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCOc2ncccc2F)C1 1731013934 DMHKRZCSMMYYKO-SFHVURJKSA-N 499.572 2.195 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCO[C@H](C)C2)c1 1740564710 VNJPPOJDWLLLKB-MISYRCLQSA-N 485.610 2.052 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Br)n1Cc1ccn(C)n1)[C@H]1CCS(=O)(=O)C1 1740619613 KMYHMSXOVOSELR-INIZCTEOSA-N 489.399 2.116 30 10 JEEE C#CCN(c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC1CC1)[C@@H]1CCS(=O)(=O)C1 1740625874 IPBKWALKSBSFFC-LJQANCHMSA-N 477.631 2.429 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(F)ccc3Br)n2CCOC)CC1 1740703218 KIGNWEYJRMNDAX-UHFFFAOYSA-N 464.339 2.459 30 10 JEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2c(F)cccc2Cl)CC1 1740716174 MSMOIBKLGXGELP-QGZVFWFLSA-N 490.992 2.351 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C)nnc1N1CCN(S(=O)(=O)N(CCC)CCC)CC1 1740754620 UNBMKZSWGZMOQS-VQTJNVASSA-N 454.641 2.057 30 10 JEEE C=C(C)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCN(C(=O)NC)CC1 1740782103 YOTJTSVCEOHSFS-UHFFFAOYSA-N 450.547 2.273 30 10 JEEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](Cc2ccccc2)C1 1740810492 DASYKNSKWUIVAI-RBUKOAKNSA-N 466.007 2.433 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c(C)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1)C(C)C 1740924094 GECLYFMEEWQSMY-ZTCOLXNVSA-N 457.667 2.274 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1740952292 YULVKMSIHJIDGX-RTBURBONSA-N 472.565 2.018 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCCS(C)(=O)=O)C1 1740969914 CMBUOLWRLVHDPJ-IBGZPJMESA-N 461.588 2.363 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@@H](C(=O)OC)C1 1740985829 MROJKGDOAKLSJU-GOSISDBHSA-N 489.598 2.137 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCCO[C@@H](C)C1 1740990424 UNEZTTYSCYHKEU-SFHVURJKSA-N 456.572 2.347 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN([C@H](C)c2nccs2)CC1 1740990877 INCCTXOFLVHNOT-QZTJIDSGSA-N 480.660 2.460 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCN(Cc2cccc(F)c2)CC1 1740993302 WUNXAKUKNXORNE-UHFFFAOYSA-N 484.601 2.326 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(c2cc(C)nc(C(C)C)n2)CC1 1740995311 HQTYSFLAONAEFN-LJQANCHMSA-N 489.646 2.279 30 10 JEEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C)c2nc(C(C)C)no2)CC1 1748710339 MTAMTHPUKJXSBC-ZWKOTPCHSA-N 454.579 2.422 30 10 JEEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1748724977 OMTBTPCYPFFWLY-UHFFFAOYSA-N 453.591 2.018 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1748808242 ITFMTZRUQJHVCO-QGZVFWFLSA-N 495.447 2.148 30 10 JEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1CCN1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1748821223 NMAMGBKEKANVIN-HSZRJFAPSA-N 499.681 2.431 30 10 JEEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1C[C@@H](c1cccc(C)c1)N1CCOCC1 1748907197 PSGDSROLJLCZJQ-QFIPXVFZSA-N 450.587 2.356 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)OCC(C)C)CC1 1749114407 BRARFKYRFMSQPU-RTBURBONSA-N 462.595 2.312 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C(CC)CC)N2CCOCC2)CC1 1749304027 SOURFMHPMPZXPI-NHCUHLMSSA-N 465.664 2.474 30 10 JEEE C=CCCCCn1c(N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)nnc1[C@@]1(OCC)CCOC1 1749408831 OCENMOUJOPQMSM-DHIUTWEWSA-N 460.579 2.101 30 10 JEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1749629849 ISBSUJGNCPISRL-QYZOEREBSA-N 492.621 2.140 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCSCC1 1749667282 XDFAGIFLXUMIMA-UHFFFAOYSA-N 453.572 2.091 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1749730972 XOKZQWCJVVVROX-IAGOWNOFSA-N 493.634 2.019 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCN(C3=NCC(C)(C)S3)CC2)nnc1C(C)(C)C 1749739875 LVWKVAPALMVUGE-UHFFFAOYSA-N 454.666 2.180 30 10 JEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](O)(c2ccccc2F)C1 1749754858 AQVIEVOWVYYRJL-IERDGZPVSA-N 466.604 2.336 30 10 JEEE CC(C)[C@](C)(O)Cn1c(Cc2ccncc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1752280251 DAYGOWPYQBOHJB-HOYKHHGWSA-N 461.574 2.048 30 10 JEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1CCN1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1760191327 FNSCXUFDGQHCIH-JTHBVZDNSA-N 499.681 2.431 30 10 JEEE C#CCN(c1nnc(CSc2ccc(C)cc2)n1C[C@@]1(O)CCSC1)[C@@H]1CCS(=O)(=O)C1 1760192148 FIIGPOHAAPNACP-GCJKJVERSA-N 492.692 2.374 30 10 JEEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CCCN1C(=O)OC(C)(C)C 1760202194 VVGMEIONSPYDHM-QGZVFWFLSA-N 466.542 2.478 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2ccsc2)n1CC(=O)N1CCN(c2ccccc2)CC1 1760205372 ZQDWHZNYEBUEOV-UHFFFAOYSA-N 458.591 2.352 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCCO2)n1C[C@@H]1C[C@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1760208133 KGLWIWRNQILMOL-LWYYNNOASA-N 455.559 2.227 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCCN2CCOC2=O)CC1 1760253069 ARVKZGPHQJFGQH-GOSISDBHSA-N 456.522 2.155 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCN2CCCC[C@@H]2CC)CC1 1760257305 TUSGKWJTNXHXJV-DHLKQENFSA-N 458.651 2.338 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3sc(-c4ccccc4)nc3C)n2CC(=O)N(C)C)CC1 1760265418 AQYRKSRGUDOCHT-UHFFFAOYSA-N 491.621 2.431 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCc2ccc(F)c(F)c2F)CC1 1760268971 TZHPKLKKDODDCJ-UHFFFAOYSA-N 471.487 2.304 30 10 JEEE C=CCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1760443936 RBISQOTYMJWSQM-MRXNPFEDSA-N 460.991 2.337 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1760518599 XRPNMYIDMDFVIZ-AVRWGWEMSA-N 485.585 2.427 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2cccn(CC)c2=O)C1 1760549305 BBUPBAFCUBWSPZ-GOSISDBHSA-N 468.583 2.281 30 10 JEEE CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2Cc2cccc(C(F)(F)F)n2)CCOC1 1765921390 DRUQGIMWJAPHIE-BEFAXECRSA-N 452.437 2.121 30 10 JEEE CN(C(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC#N)CC1)C1CCCCC1 1768417687 GKRVZRYTIRDWMB-GOSISDBHSA-N 462.620 2.101 30 10 JEEE C=CCNC(=O)[C@H](Cc1ccc(OC(C)=O)cc1)NC(=O)CNC(=O)c1ccc(Cl)cc1 1861493263 WYPYYXSETHONRF-FQEVSTJZSA-N 457.914 2.025 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(O)c(O)c2)cc1C 1862403577 ZQGYTSSEGIFSOQ-QFIPXVFZSA-N 468.506 2.325 30 10 JEEE O=C(C1=C(O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccccc1C(=O)O)c1cccc(O)c1 1862598572 XLXLGJUHQQHKAV-FQEVSTJZSA-N 452.463 2.001 30 10 JEEE CCCCCCCCCCn1cc(OCC(=O)OCCOC)c(=O)cc1CN(CCO)CCO 1870479390 IWNRNTJQLBLIOK-UHFFFAOYSA-N 484.634 2.344 30 10 JEEE CC(=O)NCc1nnc(SCCCO)n1/N=C/c1ccc(OC(=O)c2ccccc2)cc1 1874435419 FVTSAZAFPZSWDF-ZVHZXABRSA-N 453.524 2.490 30 10 JEEE C=CCn1c(C(=O)N2CCN(Cc3ccccc3)CC2)cc2c(NCCNC(C)=O)ncnc21 1875230855 QAXPCSNOIQGLLS-UHFFFAOYSA-N 461.570 2.123 30 10 JEEE CN(C(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(C(C)(C)C)cc1)C1CN(c2nccnc2C#N)C1 1891961933 USWTZHWNRFBZBV-OAQYLSRUSA-N 482.610 2.146 30 10 JEEE CC(C)([C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)[S@](=O)CC(=O)NCC#N 2019033733 UHBZSNCCFKAGKE-ZCWHBTPQSA-N 483.546 2.145 30 10 JEEE CON(CCNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2247986532 WQYVZGCRMHUFSD-UHFFFAOYSA-N 462.399 2.124 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2OC)C1 2255153922 PKVLUIIYOLGSSP-LLUXXFGUSA-N 451.564 2.434 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NC[C@]2(O)CCCN(C(=O)OC(C)(C)C)C2)C1 2255204389 YUENWSSPBPNZAZ-AVBDTAHFSA-N 451.564 2.171 30 10 JEEE CC(C)(C)OC(=O)N1CC(O)(CCNC(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2255808978 QTLVZGAMILELHT-UHFFFAOYSA-N 452.382 2.149 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCOC[C@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2256641860 ZEZPFLKABZPNRZ-CHWSQXEVSA-N 453.370 2.311 30 10 JEEE C[C@@H](CN(C(=O)OC(C)(C)C)C1CC1)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2256680504 XURJMPTUIUEKFC-LBPRGKRZSA-N 452.386 2.233 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2occc2B2OC(C)(C)C(C)(C)O2)[C@@](C)(CO)C1 2267495275 ZHLUWULUNMTWNX-JOCHJYFZSA-N 450.341 2.023 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCOC[C@@H]1CNC(=O)OC(C)(C)C 2267523461 BSCCKZRXWNIROW-AWEZNQCLSA-N 467.397 2.116 30 10 JEEE CC(C)(C)OC(=O)N1[C@@H](COc2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)CCS1(=O)=O 2267824271 GVLOSESCIABCER-CQSZACIVSA-N 468.381 2.286 30 10 JEEE COC[C@@H](ONC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1nscc1B1OC(C)(C)C(C)(C)O1 2268631313 WSHZSOUCNSVFHI-GXTWGEPZSA-N 471.385 2.091 30 10 JEEE CC(C)(C)OC(=O)N1CC(CO)(C(=O)Nc2ccc(F)cc2B2OC(C)(C)C(C)(C)O2)C1 2268642235 FYTXWGAQZHXREQ-UHFFFAOYSA-N 450.316 2.293 30 10 JEEE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2268773388 MTAMPRSUCWCHHA-MCIONIFRSA-N 466.413 2.479 30 10 JEEE C[C@H]1CCN(C(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)C[C@@H]1CNC(=O)OC(C)(C)C 2281825925 CQJZZQKHVDJPTD-HOTGVXAUSA-N 462.400 2.342 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)Nc1n[nH]c(CCNC(=O)OC(C)(C)C)n1 2281967089 NBAYLBPPWORBKV-UHFFFAOYSA-N 478.384 2.188 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@H]2CCN(C(=O)c3sncc3B3OC(C)(C)C(C)(C)O3)C[C@@H]21 2282020464 YSIFNAAWZMMDBZ-JKSUJKDBSA-N 479.408 2.293 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](CO)[C@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2282174435 FXYKKNHASOYBAG-IEBWSBKVSA-N 460.380 2.334 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1COC[C@@H]1NC(=O)c1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2282463970 HRKBMDFUEJMNPD-QAPCUYQASA-N 464.343 2.394 30 10 JEEE CCc1nc(C(=O)N2CCOC[C@H](NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2282525524 QVDPNCXMADGIAR-CQSZACIVSA-N 481.424 2.370 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@]2(C1)CN(C(=O)c1occc1B1OC(C)(C)C(C)(C)O1)CCO2 2282527236 ABOHIGRWUBDFNO-QHCPKHFHSA-N 462.352 2.431 30 10 JEEE Cn1ncc(C(=O)N2CCC(CCNC(=O)OC(C)(C)C)CC2)c1B1OC(C)(C)C(C)(C)O1 2282569261 OTFHRMSBCRHFRO-UHFFFAOYSA-N 462.400 2.486 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O 2282666917 LILRCUXQZQZDJG-APWZRJJASA-N 460.380 2.252 30 10 JEEE CC(C)(C)OC(=O)N1CC2(CC=CCN2C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2283069310 QTMOLYUCTPBWFW-UHFFFAOYSA-N 456.352 2.167 30 10 JEEE CC(C)(C)OC(=O)NC1(C(=O)NCCc2ccccc2B2OC(C)(C)C(C)(C)O2)CC(O)C1 2284048541 MAOSVYYOUOJNQQ-UHFFFAOYSA-N 460.380 2.063 30 10 JEEE CNC(=O)[C@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@@H]1C1CCN(C(=O)NCCOC)CC1 2297650073 HNZUYVQZENAFTO-MOPGFXCFSA-N 481.519 2.443 30 10 JEEE COc1cc(C=Nn2c(COc3cc(F)ccc3F)nnc2SCC(N)=O)cc(OC)c1O 2327441686 VVSPTPOFMGZRKQ-UHFFFAOYSA-N 479.465 2.318 30 10 JEEE COc1ccc(C=Nn2c(CNC(C)=O)nnc2SCC(=O)N[C@@H](C)c2ccccc2)cc1O 2330794124 DPWKHDJBPRPLSH-HNNXBMFYSA-N 482.566 2.480 30 10 JEEE COc1cc(Br)cc(C=Nn2c(SCC(N)=O)nnc2C(F)(F)F)c1O 2331129274 UHEIREUUHHVXCL-UHFFFAOYSA-N 454.228 2.233 30 10 JEEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CN(C(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)CCO1 2337395713 DCRRXEPISJHTHE-HIFRSBDPSA-N 467.397 2.197 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2C[C@H]3C[C@H]2CN3C(=O)OC(C)(C)C)n1C 2362331393 HPJILYNPIWWDIB-ARFHVFGLSA-N 460.384 2.155 30 10 JEEE CCNS(=O)(=O)c1ccc(NC(=O)CSc2n[nH]c(N/N=C/c3cccs3)n2)cc1 21079196 HSGRHULJVJAQSV-VCHYOVAHSA-N 465.586 2.341 30 10 JEEE COCCn1c(O)c(C(=O)CN2C(=O)/C(=C/c3ccc(OC)cc3)SC2=S)c(C)c(C#N)c1=O 38620613 IPXHGGLEZSUBOW-ZDLGFXPLSA-N 499.570 2.473 30 10 JEEE Cn1cc(/C=N/Nc2nnc(SCC(=O)Nc3nc4ccc([N+](=O)[O-])cc4s3)[nH]2)cn1 253563242 FEZXVVJBROKNDI-YAXRCOADSA-N 458.489 2.233 30 10 JEEE N#CC(C(=O)N1CCN(c2ccccc2)CC1)=c1sc(=Cc2ccccc2)c(=O)n1C1CC1 590996883 BXYYJLOPWVFRKY-UHFFFAOYSA-N 456.571 2.097 30 10 JEEE Cc1ccc(C(=NNc2nc3c(c(=O)n(C)c(=O)n3C)n2C/C=C/c2ccccc2)C(=O)O)cc1 606351490 FTDVJPTXOGNOGI-OCSANRLSSA-N 472.505 2.356 30 10 JEEE CCOCCCn1c(=C(C#N)C(=O)C(CC)CC)sc(=Cc2cnn3ccccc23)c1=O 729670867 NZLLEGSUDMLJFH-UHFFFAOYSA-N 452.580 2.492 30 10 JEEE COC(=O)c1ccc(C=NNc2nnc(SCC(=O)Nc3cc(F)ccc3F)n2N)cc1 1084133312 VTIKFWVFYUANBM-UHFFFAOYSA-N 461.454 2.234 30 10 JEEE CCOC(=O)Nc1ccc(NC(=O)[C@H]2C[C@@H](O)CN2C(=O)Cc2ccccc2F)cc1C#N 1137704960 ATSVJVFLNKQPQI-YLJYHZDGSA-N 454.458 2.409 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CCN(c3ccccc3Cl)C2=O)s1 1146855622 XYLLGGHCYFIRJM-HNNXBMFYSA-N 453.973 2.330 30 10 JEEE C=CCn1c(S)nc2cc(C(=O)NCc3cccc(S(=O)(=O)NCC)c3)ccc2c1=O 1161449598 YMWKAFYZGBIVFX-UHFFFAOYSA-N 458.565 2.099 30 10 JEEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CC[C@H](C(F)(F)F)C4(CCOCC4)C3)CC2)o1 1171006457 HFSIJIMJOLOKNA-KRWDZBQOSA-N 455.481 2.184 30 10 JEEE C#CC[C@]1(C(=O)N2CCN(c3ccc(F)cc3C(N)=O)CC2)CCCN1C(=O)OC(C)(C)C 1280412727 AQIKPSQLUOSDQP-XMMPIXPASA-N 458.534 2.366 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccsc3)n2CCS(C)(=O)=O)c1 1286312345 UNNKOGCZZVWCKV-UHFFFAOYSA-N 457.581 2.031 30 10 JEEE C#CCCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1286316160 SJQCUQNHKMUOOD-LJQANCHMSA-N 456.568 2.393 30 10 JEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1ccc(C)cc1SC)[C@@H]1CCS(=O)(=O)C1 1286381499 MVMAIRKHOCRPCO-LJQANCHMSA-N 487.651 2.219 30 10 JEEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@]1(O)CCC[C@H]1C 1286466430 GQISWMWVDWSIPG-NTKDMRAZSA-N 453.591 2.089 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H](c2ccccc2)N2CCOCC2)CC1 1286469205 BTELVSWTBRHQLU-DEOSSOPVSA-N 493.656 2.025 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@]2(C)CCCS2)CC1 1286487217 SUOGUMOOCFJAPB-QHCPKHFHSA-N 460.648 2.448 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1ccccc1OC)C1CC1 1286592493 IIIAXBIDBNKJHA-HXUWFJFHSA-N 461.588 2.365 30 10 JEEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(c2cnccn2)CC1 1286692486 HAQALCSHAWCDEL-UHFFFAOYSA-N 482.614 2.278 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1286805034 OTDYDYUTMSAGBS-QUCCMNQESA-N 461.588 2.159 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)ccc2C)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1286824477 YSZSWRJZGGIXTP-RBBKRZOGSA-N 490.626 2.459 30 10 JEEE Cc1nn(C)c(N2CCN(c3nnc([C@H]4CCS(=O)(=O)C4)n3CC(C)(C)C(C)C)CC2)c1C#N 1290576293 CVRXJSYRKHUGRR-SFHVURJKSA-N 488.662 2.103 30 10 JEEE CCOC1CC(O)(Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N(C)C[C@@H](C)C#N)C1 1296951835 GVFARQFXWMJDSB-DBXLBAIQSA-N 460.966 2.387 30 10 JEEE C#CCN(C)CCCNC(=O)c1nnn(C2CCN(C(=O)OC(C)(C)C)CC2)c1C(F)F 1298677251 SAESTORFTZEALD-UHFFFAOYSA-N 454.522 2.473 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2ccccc2OC)CCC1 1300309977 WCOGHHXLEDOWNC-RXVVDRJESA-N 487.626 2.199 30 10 JEEE C#CCCCCn1c(Cc2ccccc2OC)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1300367222 AJFWQNNBGFCOTC-UHFFFAOYSA-N 464.614 2.425 30 10 JEEE C#CCCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1300371524 FXLRXRZYGNAKNB-UHFFFAOYSA-N 452.603 2.488 30 10 JEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 1300410555 PALFIGFJUQYEOZ-APWZRJJASA-N 474.562 2.133 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H]1CCCN1C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1300486793 BGTHIJLICUTWEA-QZTJIDSGSA-N 488.614 2.299 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H](C1CCCCC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1300495363 GHNYFGUZENYZCZ-BHIFYINESA-N 477.675 2.309 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccnc1OC1CCCC1 1300539135 YWZAWNZIEVVSNY-LJQANCHMSA-N 453.568 2.018 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCc1nnc(C)s1 1300562025 YVWJWAPEJHUKPS-UHFFFAOYSA-N 483.623 2.061 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(C)C)n1Cc1ccc(C)n(C)c1=O 1300641091 APOHLCSXAOLNJA-UHFFFAOYSA-N 450.518 2.251 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccc3F)n2C[C@H]2CCS(=O)(=O)C2)n1 1300680463 CKCYEQXCMXFMKP-GOSISDBHSA-N 486.573 2.002 30 10 JEEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1300743200 IWAGAWLAUUVMFL-HTAPYJJXSA-N 476.624 2.099 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(CC(=O)NCC)CC1 1300868090 BWRONQTXYFJASI-DVECYGJZSA-N 498.628 2.202 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CCS(=O)(=O)CC 1300870203 RAYAJKRMTIOWTK-UYAOXDASSA-N 496.655 2.201 30 10 JEEE C=C1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CCS(=O)(=O)CC)CC1 1301079392 FTINURDLFMJVGA-UHFFFAOYSA-N 456.572 2.266 30 10 JEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccccc1C(F)(F)F 1301298090 YKHOJBXZWTUGKI-QGZVFWFLSA-N 473.521 2.495 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CCOC2(CCOCC2)C1 1301483681 UETJPWPMZLHCHV-UHFFFAOYSA-N 476.375 2.396 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](C(=O)NCCCC)C1 1301493455 ZEWAFJZFFDFWJY-QGZVFWFLSA-N 459.982 2.428 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(=C)CC2)cc1 1301527345 XNMODHLWPVQKJZ-NRFANRHFSA-N 473.599 2.381 30 10 JEEE CC(C)Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1Cc1ccc(N(C)C)nc1 1302953653 AHZPQUYWCIQFCH-SFHVURJKSA-N 460.590 2.363 30 10 JEEE C[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1)Oc1ccc(F)cc1 1303721749 HREQYMZHDIWJAF-STXHMFSFSA-N 451.499 2.229 30 10 JEEE C#CCN([C@@H]1CCOc2ccc(Br)cc21)S(=O)(=O)N(CCC#N)CCOC 1309192241 ABGHMOGFVZFUBG-QGZVFWFLSA-N 456.362 2.315 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2CC2(COC)CCC2)c1 1358903315 SCHBVXCJOMCADY-UHFFFAOYSA-N 464.570 2.273 30 10 JEEE C#CCN(c1nnc(C(C)C)n1Cc1ccccc1Cn1cccn1)[C@@H]1CCS(=O)(=O)C1 1358955532 NSAPGMAUFFLRRB-OAQYLSRUSA-N 452.584 2.321 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCN(CCC)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1358963506 JLDQLHYQSNMIEM-MOPGFXCFSA-N 495.646 2.056 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H](OC)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1358965457 VLKDJOAMQBLOQP-FGZHOGPDSA-N 465.579 2.278 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(N2CCC(CO)CC2)cc1 1358968397 KNCUWCGCSQTFCJ-UHFFFAOYSA-N 483.576 2.255 30 10 JEEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1ccc(OC)c(Br)c1 1358981519 NGQKVVBFONZSMJ-UHFFFAOYSA-N 456.344 2.293 30 10 JEEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1C[C@H](c1ccc(C)o1)N1CCOCC1 1358982208 NXIUTFBVPJUJFT-JOCHJYFZSA-N 461.570 2.187 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN1C(=O)OC(C)(C)C 1358994182 HAHJUDSLRDTBDV-RBUKOAKNSA-N 475.615 2.043 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCCCCN2CCCC2)CC1 1359044311 BUOWTCIFGWAZOK-QFIPXVFZSA-N 456.635 2.404 30 10 JEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCc2cc(OC)c(OC)c(OC)c2CC1 1359048358 NTDUQONUIZLGJB-UHFFFAOYSA-N 487.626 2.414 30 10 JEEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1359207227 CZYJVORTHXPEEO-QGZVFWFLSA-N 458.530 2.268 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@@H](C)C2)cc1 1359308761 XZHCWLGKYPHVKV-NQIIRXRSSA-N 475.615 2.460 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@H](C)[C@H]1C 1359328223 XIKJLJUOMFPGPA-DOTOQJQBSA-N 480.660 2.382 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@@H](C(=O)NC)C1 1359328962 UACZSJASXSAACA-MRXNPFEDSA-N 496.431 2.271 30 10 JEEE CC(=O)N1CCC[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N(CCS(C)(=O)=O)C2CC2)C1 1359368229 FJUZXVJSTKXFCZ-IBGZPJMESA-N 470.599 2.089 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC1CCN(CC(F)(F)F)CC1 1507538432 MIHNFPHITMXFAV-NVXWUHKLSA-N 461.554 2.303 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCN1CCCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1507634265 YEJXJMRFZJZYIM-PWRODBHTSA-N 463.648 2.063 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2cccnc2)n1C[C@@H]1CCS(=O)(=O)C1 1507701623 MTYOTVBNJQHMJW-FQEVSTJZSA-N 453.543 2.478 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1507734286 KMUDOYQEXRIREA-FQEVSTJZSA-N 483.638 2.298 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2CC2(C(N)=O)CCCC2)CC1 1507736381 JZAUGTOWOIGXTP-UHFFFAOYSA-N 452.534 2.096 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1Cc1ccccc1CN1CC[C@H](O)C1 1507759957 QTEALHUYSZBCEJ-SQJMNOBHSA-N 450.587 2.023 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1507786363 WXJZPHPNAUESKR-MOPGFXCFSA-N 489.418 2.429 30 10 JEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(OC)cc1)C1CC1 1507993571 RWMAXNSVLHKQPT-HXUWFJFHSA-N 461.588 2.017 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCN(c2ccccc2F)C[C@H]1C 1508139037 CMNWOJNCEKQUIU-QGZVFWFLSA-N 471.562 2.190 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1508143381 GRPPTHNKRURQST-GDBMZVCRSA-N 459.494 2.021 30 10 JEEE C[C@@H](Cn1c(-c2ccc(Br)s2)nnc1N1CCO[C@H](C#N)C1)N1CCOCC1 1510030163 FRUBDYAUTPLRAW-UONOGXRCSA-N 467.393 2.219 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1Cc1ccc(F)cn1 1513393932 ACWOEGMIHCGJAU-UHFFFAOYSA-N 477.548 2.372 30 10 JEEE CCS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)c1Cl 1525459048 AQPFSGAHWDPNFN-UHFFFAOYSA-N 458.327 2.471 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1c(C)nn(-c2ccccc2)c1C 1539014553 MENNMMLECCFJSE-LPHOPBHVSA-N 452.584 2.489 30 10 JEEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1Cc1ncccc1C)[C@@H]1CCS(=O)(=O)C1 1539230892 QVDCDWWEIHCCCH-LJQANCHMSA-N 481.578 2.244 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Br)s3)n2CCC(=O)N(C)C)CC1 1539470440 POCPNYYFWXOWTG-UHFFFAOYSA-N 493.431 2.213 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CCN2CCC[C@H]2C)CC1 1539481887 HTGREHVNRBMDIC-LJQANCHMSA-N 452.578 2.458 30 10 JEEE C#CCSCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCO[C@@H](C#N)C1 1539516862 FMUQGKZKCVBARI-SFHVURJKSA-N 460.604 2.488 30 10 JEEE C#CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(C(=O)NCCOC)CC1 1539516868 FPQCOJAZATZGRS-NRFANRHFSA-N 485.610 2.136 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(CC(=O)N(C)C)CC1 1539636218 JZYDZJDOCIHIMP-KOSHJBKYSA-N 488.583 2.339 30 10 JEEE C=CCn1c(-c2cccc3cccnc23)nnc1N1CCN([C@H](C)C(=O)NCCCOC)CC1 1540856270 GOUJEPUGSJLSTD-LJQANCHMSA-N 463.586 2.343 30 10 JEEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1540872607 UVUMHGPRWQZHQD-OAHLLOKOSA-N 462.501 2.164 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 1540872969 IAGJLKPBWJJVED-IBGZPJMESA-N 465.602 2.041 30 10 JEEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 1540920581 ZMBFAQCTTMODHF-MRXNPFEDSA-N 461.592 2.404 30 10 JEEE CC(=O)N1CCN(CCn2c(-c3cccc(C#N)c3)nnc2N(C)CC2CC(F)(F)C2)CC1 1541005825 ZDQAVBHOJWNEBA-UHFFFAOYSA-N 457.529 2.462 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)C2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)s1 1558830298 CPCIPWVJRAZMJJ-HUUCEWRRSA-N 455.602 2.079 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1CCCN1C[C@H](C)C[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1588045077 GRDVZHBHCYAOLZ-NJYVYQBISA-N 470.643 2.335 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)s3)n2CCC2(O)CCOCC2)CC1 1588768056 AKZLYRCTIOGKIJ-UHFFFAOYSA-N 480.432 2.456 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCN(C(C)=O)C[C@H]1C 1595506818 NMUMAANOJIJSAO-CYBMUJFWSA-N 479.354 2.206 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN(Cc2ncc(-c3ccccc3)o2)CC1 1595805486 POJWEILAPLCVEG-UHFFFAOYSA-N 470.599 2.419 30 10 JEEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccccc2CC1 1595884873 VYKWGKSARNHYBZ-HXUWFJFHSA-N 477.656 2.135 30 10 JEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCCC[C@@H]1C(=O)OCc1ccccc1 1618743806 GXNIIBMYZQUNKD-LAUBAEHRSA-N 455.536 2.350 30 10 JEEE N#CCCN(CC1CC1)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCCCS1(=O)=O 1620358206 GFQFNZFSMDPDTP-QGZVFWFLSA-N 457.560 2.023 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@](CO)(Cc3ccc(F)cc3)C2)s1 1638086050 JHVXBJMBIITKHT-NRFANRHFSA-N 452.573 2.348 30 10 JEEE C=CCN(C(=O)CN1C(=O)c2ccccc2S1(=O)=O)[C@H](Cc1ccccc1)C(=O)OCC 1638617543 GWWVSTSWGCLZPT-LJQANCHMSA-N 456.520 2.020 30 10 JEEE CC(C)(C)OC(=O)N1CCC(S(=O)(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC1 1662686960 BXJZMOHJDLCYHT-GOEBONIOSA-N 458.581 2.064 30 10 JEEE C#CCOc1ccc(NC(=O)N2CCN([C@@H]3CCCN(c4cc(C)nn4C)C3=O)CC2)cc1 1667082884 LMQHYGAAEGVENM-OAQYLSRUSA-N 450.543 2.086 30 10 JEEE C#CCN1CCC[C@@H](NC(=O)N2CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)C1 1685267029 OSRLYYUVGJGSKF-OAHLLOKOSA-N 459.399 2.107 30 10 JEEE C#CCCCn1c(-c2ccccc2Br)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1689922359 KNKULNWKMYAEFU-UHFFFAOYSA-N 487.402 2.294 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCCN1CC)[C@@H]1CCS(=O)(=O)C1 1689981982 FMNJHOFZCPFWIZ-IAGOWNOFSA-N 495.447 2.147 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccccc1CN(CC)CC)[C@@H]1CCS(=O)(=O)C1 1689991317 ZQTAWZGEVHUNLS-XZOQPEGZSA-N 485.654 2.299 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1cccnc1OCCC)[C@H]1CCS(=O)(=O)C1 1689993553 GTDZHKYYSGZGHB-NRFANRHFSA-N 480.594 2.123 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@]1(N2CCOCC2)CCSC1 1690006098 ITVYYVOMMOPRKY-QHCPKHFHSA-N 466.567 2.134 30 10 JEEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CCOc2ccc(OC)cc2)CC1 1690129482 YRHJSZNIWNVRMZ-UHFFFAOYSA-N 452.584 2.477 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1690247549 CAFLPLJHNSIWKA-GCJKJVERSA-N 474.631 2.105 30 10 JEEE C=C(Cl)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(c2nccc(OC)n2)CC1 1690334368 MTDXMAVJRIOVNL-UHFFFAOYSA-N 489.989 2.226 30 10 JEEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 1690464607 GXUHSKVKPRDUHP-ICSRJNTNSA-N 499.703 2.367 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)CCS(=O)(=O)CC 1690663129 MRXASQLNNJUDLN-UHFFFAOYSA-N 465.645 2.449 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCn1cccn1 1690683758 ULZLSOGINSQHRR-IBGZPJMESA-N 456.572 2.126 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1690719318 KRCKPZNALCEUKL-HXUWFJFHSA-N 486.642 2.399 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1690725378 NYLXQENPTAWZOW-VQIMIIECSA-N 469.007 2.363 30 10 JEEE CO[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1697123467 AUBBVTUSYAYLGQ-HOCLYGCPSA-N 466.464 2.268 30 10 JEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCC1CC(OC(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1 1705558598 CIALJIRPJPTFMH-GPJFCIFZSA-N 491.658 2.125 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1CC(=O)Nc1c(C)cccc1C)[C@H]1CCS(=O)(=O)C1 1705571178 WMYPMLMCOWTXNJ-IBGZPJMESA-N 457.600 2.359 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCNC(=O)[C@H](C)CCC 1705583169 RTCFQSBADPCQCH-UXHICEINSA-N 486.617 2.212 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CC2(CC)CCOCC2)CC1 1705650760 XWBVCETXPRGREO-UHFFFAOYSA-N 450.587 2.437 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1705708442 CJZMYAUPIJGLRQ-GWJPWWOOSA-N 450.543 2.377 30 10 JEEE C=C(Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H]1CCCOC1)c1ccccc1 1705742731 DJSZUYNPLKWHMD-TZIWHRDSSA-N 475.615 2.187 30 10 JEEE C=CCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1705787249 MCVLRBHNEOLIMN-QGZVFWFLSA-N 456.595 2.416 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1COCCO1 1705884632 UPBBYTBEJWIOBN-MOPGFXCFSA-N 465.595 2.447 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1705896455 NJHYDFGBZHYHQI-OLZOCXBDSA-N 470.393 2.311 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCN(Cc2ccc3c(c2)OCCO3)CC1 1705930094 FHAQBUBKKBXTMX-IBGZPJMESA-N 489.642 2.486 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@H](Cn2cccn2)C1 1705930955 ADJPBLJMKHLEDE-IBGZPJMESA-N 476.990 2.301 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1705931344 NACNIUFYISFUJG-QFIPXVFZSA-N 491.570 2.228 30 10 JEEE CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@H](C(F)F)N2CCOCC2)[C@@H](C)C1 1705990379 SYJODZSAELQNMT-LAUBAEHRSA-N 487.555 2.230 30 10 JEEE COCCN(C)CCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@](F)(C#N)C1 1712417613 DUVSIWOGDQLMHL-SFHVURJKSA-N 454.348 2.446 30 10 JEEE C#CCN(c1nnc(Cn2ccc3ccccc32)n1CC(C)(C)CN(C)C)[C@H]1CCS(=O)(=O)C1 1722370229 ATFSRGYBTMOKAO-NRFANRHFSA-N 482.654 2.496 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@H](C(C)C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1722372562 ZESXEVHIFAWRJF-BJKOFHAPSA-N 499.681 2.047 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H](C)N1CCN(CC)CC1 1722375381 NQVJUQXRWQTRKL-FQEVSTJZSA-N 450.587 2.061 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@H](C)CN1CCOCC1 1722380138 FLTIBEOSLFCCCL-NRFANRHFSA-N 487.608 2.106 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@](C)(O)c2ccc(F)cc2)CC1 1722453036 NIOIEYHTCNAIRX-NHZRIVAWSA-N 499.587 2.015 30 10 JEEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](CC(C)C)NC(=O)OCC)CC1 1722565819 CCNFNFJVRXGTEO-ZWKOTPCHSA-N 453.609 2.497 30 10 JEEE C=CCCOCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCc2oncc2C1 1722623735 LFFWNQSRQDHXRL-UHFFFAOYSA-N 472.571 2.339 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CC[C@H](C(=O)N(C)c2ccccc2)C1 1722700942 ZXTDUHIHKQAMKI-FQEVSTJZSA-N 459.554 2.055 30 10 JEEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1722701430 PLYMYHLEECOKGU-QGZVFWFLSA-N 480.535 2.447 30 10 JEEE C#CCCCn1c(COc2ccc(OC)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1740596086 RXAFMEIAIFBVCS-QFIPXVFZSA-N 466.586 2.022 30 10 JEEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccnc1Oc1cccc(F)c1 1740600651 MUFBEUDRBFQAEK-OAHLLOKOSA-N 458.519 2.332 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1CCSCCCO)[C@H]1CCS(=O)(=O)C1 1740618935 DOMCNTXFHZYAAM-INIZCTEOSA-N 487.022 2.480 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1CCOc1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 1740623504 VMGAHIVTSDAEMO-MRXNPFEDSA-N 472.958 2.094 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2Cc2cnccc2OC)CC1 1740689406 DBZFZGBLSIVXAZ-UHFFFAOYSA-N 479.972 2.069 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H]2CCCSC2)CC1 1740703459 TXTOWKREPWMZKV-WZONZLPQSA-N 461.632 2.039 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1CCc1ccc(OCCN(C)C)cc1 1740729614 ITHHNESWDVXIGW-SQJMNOBHSA-N 450.587 2.404 30 10 JEEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2ccc(OC)c(F)c2)CC1 1740810797 GQWHPEMRHYEKRB-KRWDZBQOSA-N 483.997 2.403 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1740951772 NIXIECTWKPEGEG-OALUTQOASA-N 475.615 2.351 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 1740959564 ZXBLAECPRYEZIV-KRWDZBQOSA-N 455.563 2.302 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCS(C)(=O)=O)C1 1740975500 VQCHQDYDLCFVIC-CQSZACIVSA-N 458.382 2.252 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H]1c1ccco1 1740985176 DBIOJIZCRFHNRB-INIZCTEOSA-N 456.528 2.461 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1nccnc1C 1748673160 CIMAVHONZOSBRS-APWZRJJASA-N 455.563 2.386 30 10 JEEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@H](C)N1CCN(CC)CC1 1748680370 REFMGBSXXPWZLM-LOSJGSFVSA-N 492.716 2.127 30 10 JEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2c(C#N)cnc3ccccc23)CC1 1748731420 CKOAOHMSPQNREZ-GOSISDBHSA-N 492.609 2.048 30 10 JEEE C#CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1748735001 LUZXXHMMMWAYSF-KRWDZBQOSA-N 460.560 2.375 30 10 JEEE C#CCCCn1c(Cc2ccccc2OC)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1748756445 MPDZRYKUKMRTSQ-REWPJTCUSA-N 464.614 2.280 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1cc(Cl)ccc1OC)[C@@H]1CCS(=O)(=O)C1 1748817813 QWPZEIJNPZYXNG-MAUKXSAKSA-N 464.975 2.119 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCC2(C1)OCCO2 1748857484 ANHBANZOTLXAME-UXHICEINSA-N 485.585 2.203 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H](C)N(C)C1CC1 1748882500 VKRRJNHGUXAXFL-IBGZPJMESA-N 468.627 2.141 30 10 JEEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)COc2ccc(F)cc2)CC1 1749223073 PECHBYWDFWRBFL-UHFFFAOYSA-N 483.548 2.138 30 10 JEEE C=CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1CC1(O)CCS(=O)(=O)CC1)C1CC1 1749510215 BTULFAQIXYOGMD-UHFFFAOYSA-N 462.572 2.057 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2coc(-c3ccccc3)n2)C1 1749699050 YYFCWNLJKSKFLI-VQIMIIECSA-N 472.571 2.373 30 10 JEEE CC(=O)N1CCC[C@@H](Cn2c(-c3sc(N4CCOCC4)nc3C)nnc2N(C)C[C@@H](C)C#N)C1 1749816597 GCNVTKDYNUQNDC-QFBILLFUSA-N 486.646 2.401 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccc(C)cc1SC)[C@H]1CCS(=O)(=O)C1 1760188307 JMLDDHNRNXAEDX-IBGZPJMESA-N 470.624 2.384 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCCO2)n1C[C@@H]1C[C@@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1760208132 KGLWIWRNQILMOL-IYWMVGAKSA-N 455.559 2.227 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN1Cc1ccccc1 1760220289 YPWIHLDDGAZVEX-PKTZIBPZSA-N 465.623 2.308 30 10 JEEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1([S@@](C)=O)CCC1 1760235267 HSUKQAOARMILBK-HYJWCJBQSA-N 465.620 2.347 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@@H]2CCO[C@@H]2C(C)C)CC1 1760272039 WQRRWIOYVHMUBK-JTHBVZDNSA-N 450.587 2.291 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1760319162 LAUURXYUIPXTJZ-NHCUHLMSSA-N 470.599 2.270 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N(CC)CCS(C)(=O)=O 1760324142 IUZCLSFQRPGFKL-VQIMIIECSA-N 453.634 2.486 30 10 JEEE C=C(Cl)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 1760372305 FHYSBIPFUZJWLH-KRWDZBQOSA-N 454.000 2.262 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]1c1cccc(OC)c1 1760554761 LYSRZFJKERBPGH-QUCCMNQESA-N 494.639 2.131 30 10 JEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 1760566112 LNVHICJSRVDEML-QZTJIDSGSA-N 470.661 2.121 30 10 JEEE CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC1(C(=O)N(C)C)CCCC1 1766400543 ICUXWQCDTSHOFL-UHFFFAOYSA-N 466.590 2.056 30 10 JEEE CN(C)S(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(N2CCCCC2)CC1 1766944498 HWSSGAGSXWASTM-UHFFFAOYSA-N 471.631 2.163 30 10 JEEE CN(CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1)CC(F)(F)F 1767370072 FABWDYKSXUVMMA-AEFFLSMTSA-N 493.490 2.158 30 10 JEEE N#C[C@@]1(F)CCN(c2nnc(C(=O)N3CCCC3)n2CCOc2cccc(C(F)(F)F)n2)C1 1770726164 BRQLOWSCCQXYOC-IBGZPJMESA-N 467.427 2.449 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)C(=O)N[C@H](CC(C)C)C(=O)O)c(C(=O)OCC)c1C 1860761474 VNBYRHHTIOOZFM-GFCCVEGCSA-N 454.501 2.130 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@H]2c2ccc3c(c2)OCCO3)cc1C 1862405183 MGSYNVZHEKGDDD-QFIPXVFZSA-N 466.490 2.489 30 10 JEEE C=CCNC(=O)C1=C(N)Oc2c(c(CC)nn2C)[C@@H]1c1cc(Br)cc(OC)c1O 1864427536 JVOVXKCQJJLMCG-AWEZNQCLSA-N 463.332 2.456 30 10 JEEE CC(=O)c1ccc(NC(=O)[C@@H](CO)NC(=O)C2CCN([C@@H](C#N)c3cccs3)CC2)cc1 1866867041 MAEOCFHACWTXAJ-UXHICEINSA-N 454.552 2.343 30 10 JEEE Cc1ccc([C@H](C#N)NC(=O)[C@H](CO)NC(=O)c2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)cc1 1867528535 ZYNFLGRSEMVHEO-GOTSBHOMSA-N 488.544 2.396 30 10 JEEE COCCCN1C(=O)c2ccc(C(=O)Nc3c(C#N)nnn3-c3ccc(OC)c(OC)c3)cc2C1=O 1870142059 YNMZZWUGWUEBFN-UHFFFAOYSA-N 490.476 2.041 30 10 JEEE COc1cccc(-n2nnc(C#N)c2NC(=O)CCCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1 1870155476 OWDMRGVMHYNGED-UHFFFAOYSA-N 475.421 2.071 30 10 JEEE C=CCn1nc(C)c(I)c1C(=O)Nc1ccc(S(=O)(=O)NC(C)=O)cc1 1871333366 SJKKOGGMFNRYCA-UHFFFAOYSA-N 488.307 2.059 30 10 JEEE C=CCN=c1nc(N2CCN(c3ccccc3OC)CC2)[nH]c(=Nc2ccc3c(c2)OCO3)[nH]1 1871535517 DMPWFKWOOOEKJX-UHFFFAOYSA-N 461.526 2.121 30 10 JEEE C=CCn1c(C(=O)NCCc2ccc(OC)cc2)cc2c(N3CCC(C(N)=O)CC3)ncnc21 1873593999 KTJDWNHPRQWKHJ-UHFFFAOYSA-N 462.554 2.300 30 10 JEEE N#Cc1c(=O)c2nc(N3CCN(Cc4ccccc4)CC3)ncc2n2c(=O)c3ccccc3[nH]c12 2059862427 KRLCMUWUPDJNLU-UHFFFAOYSA-N 463.501 2.278 30 10 JEEE CC(C)(C)OC(=O)NCCn1cnc(C(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)c1 2206636166 RSLGHBRAWYUBDV-UHFFFAOYSA-N 457.340 2.354 30 10 JEEE Cn1nc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2255655953 UBZZCBLSUNRGCV-GFCCVEGCSA-N 454.764 2.112 30 10 JEEE CC1(C)OB(c2ccc(S(=O)(=O)NCC(=O)NCc3ccccc3)c(Cl)c2)OC1(C)C 2255932280 XUSZSVKOTWNYMU-UHFFFAOYSA-N 464.780 2.234 30 10 JEEE COC[C@@]1(NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)CCN(C(=O)OC(C)(C)C)C1 2267197795 ONZIYELNUUUBBI-JOCHJYFZSA-N 450.341 2.335 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCOC[C@H]1CNC(=O)OC(C)(C)C 2267523462 BSCCKZRXWNIROW-CQSZACIVSA-N 467.397 2.116 30 10 JEEE CC(C)(C)OC(=O)N1CC(CCO)(CNC(=O)c2csc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267553963 UETOUQSWZZSDPE-UHFFFAOYSA-N 466.409 2.397 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)CC[C@@H]1C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2279289606 HJXFUUOGWIJBRJ-RTBURBONSA-N 460.380 2.362 30 10 JEEE CC(C)(C)OC(=O)N1CCOC(C)(C)[C@@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2279914710 DRNDUIJNWMLXAV-HNNXBMFYSA-N 462.356 2.129 30 10 JEEE COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)NCCOCCNC(=O)OC(C)(C)C 2281819401 NYZCHDXYQVVGCU-UHFFFAOYSA-N 464.368 2.266 30 10 JEEE C[C@H]1C[C@@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)CCN1C(=O)OC(C)(C)C 2281962786 CYTWJDJJOGJXBU-HOTGVXAUSA-N 462.400 2.485 30 10 JEEE Cn1nc(C(=O)N2C[C@H](NC(=O)OC(C)(C)C)CC(F)(F)C2)cc1B1OC(C)(C)C(C)(C)O1 2281972973 PAGOLHXCZRDFFN-CYBMUJFWSA-N 470.326 2.094 30 10 JEEE CC(C)(C)OC(=O)N1[C@H](CNC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)C[C@@H]2COC[C@@H]21 2282014076 NQTWZTRBKFZVNH-ILXRZTDVSA-N 479.408 2.197 30 10 JEEE C[C@@H]1CCN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C[C@H]1CNC(=O)OC(C)(C)C 2282030412 FREIFCNGCZEKHV-HZPDHXFCSA-N 460.384 2.399 30 10 JEEE C[C@@H]1C[C@@H](NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CCN(C(=O)OC(C)(C)C)C1 2282044956 SUSDNVGXLVDEPH-CVEARBPZSA-N 462.400 2.485 30 10 JEEE Cn1cc(C(=O)N2CC3(CCCN(C(=O)OC(C)(C)C)C3)C2)nc1B1OC(C)(C)C(C)(C)O1 2282048352 KLOSBMIWZXIZEG-UHFFFAOYSA-N 460.384 2.192 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@H]1NC(=O)c1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1F 2282088406 MABQUJYWZSRQKH-IAGOWNOFSA-N 468.306 2.286 30 10 JEEE C[C@H](C1CN(C(=O)OC(C)(C)C)C1)N(C)S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282354012 KZAJPMPQBFQVFI-OAHLLOKOSA-N 481.424 2.257 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2282488015 ACCUWJWCMNKUBV-MRXNPFEDSA-N 482.408 2.282 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1COC[C@@H]1NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282606769 GFIIEGDFDJCQCG-BBRMVZONSA-N 481.786 2.304 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CC2(CC2)C1 2282625682 YQDDCZBHHFFVNL-INIZCTEOSA-N 458.368 2.295 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCO[C@H]2[C@@H]1NC(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2282650089 IFLILIIQBVQHHM-JCHJZTRSSA-N 458.364 2.396 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@H](CNC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1(C)C 2283070332 WJVLUIBSELGEBI-CABCVRRESA-N 460.384 2.445 30 10 JEEE COc1ccc(NC(=O)[C@H](NC(=O)OC(C)(C)C)C2COC2)c(B2OC(C)(C)C(C)(C)O2)c1 2284059925 WOXJVPOWTZHBKI-GOSISDBHSA-N 462.352 2.473 30 10 JEEE C[C@@H](C(=O)N1CCC(=CB2OC(C)(C)C(C)(C)O2)C1)N1CCN(C(=O)OC(C)(C)C)CC1=O 2284069918 YYYOVQWHAHJDFB-INIZCTEOSA-N 463.384 2.244 30 10 JEEE C[C@H](NC(=O)[C@@H](CCC(N)=O)NC(=O)OC(C)(C)C)c1cscc1B1OC(C)(C)C(C)(C)O1 2284145880 CMVQVCNDXBGOBY-XJKSGUPXSA-N 481.424 2.383 30 10 JEEE Cc1cc(S(=O)(=O)N[C@H](COCc2ccccc2)C(=O)O)ccc1B1OC(C)(C)C(C)(C)O1 2284396970 ZXVMLAGSFYJCMJ-HXUWFJFHSA-N 475.372 2.243 30 10 JEEE Cc1cc(CNC(=O)[C@H]2COC[C@H]2NC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2289465670 DIIDCPYMFYPYRI-PKOBYXMFSA-N 460.380 2.450 30 10 JEEE COc1cc(C=C2Oc3c(ccc(O)c3CN3CCN(CCO)CC3)C2=O)cc(OC)c1OC 2296597374 QVFQDJUKGYKVJE-UHFFFAOYSA-N 470.522 2.144 30 10 JEEE CC1(C)OB(c2csc(S(=O)(=O)N[C@H](CCO)COCc3ccccc3)c2)OC1(C)C 2320500467 TUFXJUMXGGMJCP-GOSISDBHSA-N 467.418 2.293 30 10 JEEE CN(C(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1F 2320554721 HWVHUIDBYLBKAN-CHWSQXEVSA-N 455.361 2.472 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC[C@H]2CCN(C(=O)OC(C)(C)C)C2)n1C 2362481610 WLUNKQZTQHHJSN-INIZCTEOSA-N 462.400 2.405 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C2)n1C 2362495188 UHVWHKRPUQDGGP-GDBMZVCRSA-N 462.400 2.403 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H](Oc1cc(B2OC(C)(C)C(C)(C)O2)cc(C(F)(F)F)n1)C(N)=O 2365135519 RUFBZTKXMOPKQW-GFCCVEGCSA-N 475.273 2.157 30 10 JEEE COCCN1C(=O)/C(=C\c2c(C)c(C#N)c(=O)n(C)c2N2C[C@H](C)O[C@H](C)C2)SC1=S 33452357 ORDSXEVMFWMMHP-IXEGGXEYSA-N 462.597 2.027 30 10 JEEE Brc1ccc(/C=C/C=NNc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1 252609045 HPZVQWGHTRJEQM-AUQRVFLASA-N 474.363 2.418 30 10 JEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC(F)(F)F)c2)c(=O)n1-c1ccccc1C#N 609074901 SXZHMANUSDIPHR-UHFFFAOYSA-N 496.470 2.475 30 10 JEEE C=CCNC(=O)CCSc1n[nH]c(NN=Cc2c(C)nn(-c3ccccc3)c2N2CCOCC2)n1 1083920156 VCLSFQUYWMAVKB-UHFFFAOYSA-N 495.613 2.366 30 10 JEEE CCN(CC)c1ccc(C=NNc2nnc(SCC(=O)Nc3ccccn3)n2N)c(O)c1 1083951752 OBXIUZTVBBVHDY-UHFFFAOYSA-N 455.548 2.116 30 10 JEEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(C(=O)N(C)C3CCOCC3)cc2)c1 1141555244 ABFWNPIQHCWVCL-UHFFFAOYSA-N 455.536 2.101 30 10 JEEE N#Cc1sccc1N1CCN(C(=O)NCc2ccccc2OCCN2CCOCC2)CC1 1221502165 BDYAYLYJFHBWSK-UHFFFAOYSA-N 455.584 2.363 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(C)(C)N1CCOCC1 1286295611 JRRBAESJOLFBAC-MOPGFXCFSA-N 476.622 2.155 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cc2ccccc2o1 1286297888 YOWKOMBBCZILDG-OXQOHEQNSA-N 457.556 2.058 30 10 JEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CN(C)C(=O)OC(C)(C)C)CC1 1286344018 XVJZEXYGJSZDDB-KRWDZBQOSA-N 482.651 2.385 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCCc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1286381419 MLKUPHDOSKUIBH-HXUWFJFHSA-N 496.568 2.324 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 1286410431 SZYQCUVIVIUTIL-RTBURBONSA-N 487.626 2.043 30 10 JEEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1C[C@H]1[C@H](C)CCN1C(=O)OC(C)(C)C 1286416930 ZTQBPGSNBXLCCI-MOPGFXCFSA-N 454.575 2.119 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C(F)(F)F)c1 1286430904 KURZJDVDHUPQDL-LJQANCHMSA-N 495.527 2.141 30 10 JEEE C#CCN(CCOC)c1nnc(COc2ccc(Cl)cc2Cl)n1CC(=O)N1CCOCC1 1286468625 CRZWPWKNKXZXGJ-UHFFFAOYSA-N 482.368 2.109 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2Cc2cc3c(cc2OC)C[C@@H](C)O3)n1 1286470407 VFNWKVCGFHOWEC-QGZVFWFLSA-N 450.543 2.450 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2CCc2nnc(C)s2)CC1 1286491483 TXOFZZWDJAXJQA-UHFFFAOYSA-N 479.610 2.246 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OC)n2Cc2ccc(F)cn2)CC1 1286493026 SJBAWCIAKBGGMS-UHFFFAOYSA-N 478.528 2.414 30 10 JEEE C=C(Br)Cn1c(N2CCN(CCOC(C)C)CC2)nnc1[C@]1(OCC)CCOC1 1286547260 GDSWGFDCHHTTLK-FQEVSTJZSA-N 472.428 2.386 30 10 JEEE C=CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(CNS(C)(=O)=O)CC1 1286701475 VWUBWHOMOJRBBJ-UHFFFAOYSA-N 471.587 2.326 30 10 JEEE C=CCCOCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(C(C)=O)CC1 1286706111 JZNNNLYQXPJCTR-UHFFFAOYSA-N 460.966 2.123 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCSC1(C)C)C1CC1 1286736165 BOHOBHCNHDHOEE-RDJZCZTQSA-N 455.650 2.298 30 10 JEEE CCO[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(C(N)=O)CCOCC2)C1 1296991115 GDYGHUCWMOTNKL-HXUWFJFHSA-N 468.558 2.016 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H](c1ccccc1)C1CC1)[C@@H]1CCS(=O)(=O)C1 1300479345 MCTDEVQGYWKVJV-NHCUHLMSSA-N 469.611 2.237 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1Cc1cnn(Cc2ccccc2)c1)[C@@H]1CCS(=O)(=O)C1 1300495011 BEDXKZGQENLSLJ-JOCHJYFZSA-N 466.611 2.396 30 10 JEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1C[C@H](F)COC)[C@H]1CCS(=O)(=O)C1 1300499067 PAYMYBVTGVAFRI-ROUUACIJSA-N 454.955 2.134 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1cc(C)cc(OC)c1)[C@H]1CCS(=O)(=O)C1 1300500939 GAVHSZHYRUMAAR-NRFANRHFSA-N 482.610 2.132 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1CCCc1c[nH]nc1C)[C@@H]1CCS(=O)(=O)C1 1300502497 VSZLNCDKWLITBR-JOCHJYFZSA-N 466.611 2.354 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)c1nc(-c2ccccc2)no1 1300539013 WOMKGSWJNIRBAG-PKOBYXMFSA-N 464.551 2.107 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CC(C)(C)NC(=O)OC(C)(C)C)CC1 1300732293 LUKASJHOWJKKJK-GOSISDBHSA-N 474.606 2.399 30 10 JEEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1300746989 WEDKGDBJDRAFPM-LJQANCHMSA-N 468.583 2.431 30 10 JEEE C#CCSCCn1c(CSc2ccccc2OC)nnc1N1CCN2C(=O)NC[C@H]2C1 1300777003 PZRWNDSGKUDHBU-INIZCTEOSA-N 458.613 2.159 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCC)CCC 1300885339 OXQAXLCJHQSSRD-QYZOEREBSA-N 455.625 2.219 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)nnc1C(C)(C)C 1300896719 IXFRQAKLALQORW-AABGKKOBSA-N 481.663 2.188 30 10 JEEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@](O)(Cc2cccc(Cl)c2)C1 1300928783 NZEZMNOOAIDXBI-YWZLYKJASA-N 453.996 2.302 30 10 JEEE C=C(C)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1300939579 YXXSYDCASBLMRG-UHFFFAOYSA-N 482.585 2.244 30 10 JEEE C=C(Cn1c(N2CCCN(S(C)(=O)=O)CC2)nnc1[C@@]1(OCC)CCOC1)c1ccccc1 1301009879 DBDATAQHVOMXSP-HSZRJFAPSA-N 475.615 2.115 30 10 JEEE C=CCCOCCn1c([C@H]2CCCCO2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1301251443 DPMVTNDRGRGSLI-OAQYLSRUSA-N 488.633 2.053 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1ccco1 1301339316 MHNFVYAGWVGNTD-FQEVSTJZSA-N 494.577 2.267 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCN(C2CC2)C(=O)C1 1301489901 GLBGLYSDJFNFAN-UHFFFAOYSA-N 473.375 2.129 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCC[C@H](CN2CCOCC2)C1 1301589694 WJUMUSYKJLBWEE-LJQANCHMSA-N 453.653 2.016 30 10 JEEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@](C)(OC)C2CC2)C1 1314001187 FHQUBVXTGBFZRU-UGKGYDQZSA-N 458.588 2.150 30 10 JEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 1358904563 GUZRFRMNTYVGCG-IRXDYDNUSA-N 468.624 2.043 30 10 JEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 1358912308 OFFAZRNNTNEPGL-IBGZPJMESA-N 469.611 2.007 30 10 JEEE C#CCN(c1nnc(CCOc2ccccc2)n1Cc1occc1C)[C@@H]1CCS(=O)(=O)C1 1358966735 VUIAGEDDMOGXJR-LJQANCHMSA-N 454.552 2.476 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCCC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1358967869 URQKKWLLODEJMG-OTWHNJEPSA-N 452.621 2.455 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCc1cccc(C)n1 1358971888 MDPAJPXFRINCLS-UHFFFAOYSA-N 462.579 2.214 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2C[C@H](C)O[C@H](C)C2)CC1 1359041637 DBSIYHMYKQACHN-OYRHEFFESA-N 489.624 2.282 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCC(=O)N[C@H](C)CC 1359065924 HRJOTJQRJKXWAJ-HOYKHHGWSA-N 486.642 2.492 30 10 JEEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1359133443 RVWASTYQRSOXAP-RTWAWAEBSA-N 474.650 2.334 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2nncn2C)CC1 1359178991 ITXJVMKVLDFHNG-KRWDZBQOSA-N 458.567 2.166 30 10 JEEE C=CCN(CC=C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1CCS(=O)(=O)C1 1359272278 ODLZJOFLKPMBDT-SFHVURJKSA-N 457.604 2.065 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CCC(CC(N)=O)CC1 1359296213 ATWUYQNCZVROLX-UHFFFAOYSA-N 461.364 2.102 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1359304821 KSLGTKGGTWJCRP-UHFFFAOYSA-N 468.602 2.471 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)NCC)CC1 1359309162 JWOBDCMTCAWXQI-UHFFFAOYSA-N 490.568 2.390 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1359326900 MKIBLYGKYIMJIY-UKRRQHHQSA-N 465.542 2.432 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1359329393 HUORPLFQHXLSLE-PKOBYXMFSA-N 495.049 2.141 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1C[C@]1(O)CCO[C@@H]1C 1497036497 CSYSTMKWFMZKIL-CRICUBBOSA-N 499.591 2.074 30 10 JEEE CC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCOC[C@@H]2OC)CCN1CCOC 1499680519 HMRVFOLLIPXRPG-ZRBLBEILSA-N 468.602 2.415 30 10 JEEE CCOC1CC(O)(Cn2c(N(C)Cc3cccc(C#N)c3)nnc2[C@@]2(OCC)CCOC2)C1 1502963905 HHKCWIIGFQAOEZ-VZYOYLOZSA-N 455.559 2.368 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@](C)(O)c1ccco1 1504873183 CAAYTYJKBRZOFQ-NTKDMRAZSA-N 464.526 2.255 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CCC1CCC(OC)CC1)[C@@H]1CCS(=O)(=O)C1 1507624896 FJJYDPQMHULBBI-UZSNPODYSA-N 494.658 2.152 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1CCc1ccc(F)c(F)c1F)[C@H]1CCS(=O)(=O)C1 1507631651 FTIPULFUHJXJRT-HOTGVXAUSA-N 468.501 2.069 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCC[C@H]1OC)[C@@H]1CCS(=O)(=O)C1 1507634413 KHEUWBQNMNUTDF-QXAKKESOSA-N 463.629 2.076 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccco1)N(CC)CC 1507669725 QMUUBGXORIZZKH-UXHICEINSA-N 457.600 2.319 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCOC1 1507711119 OFMBEGKIJGBSCW-MOPGFXCFSA-N 463.579 2.099 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCC2CCN(CC)CC2)CC1 1507735723 FXYUMPNYYDNKPS-AREMUKBSSA-N 486.661 2.018 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N(C)CCS(=O)(=O)CC 1507806521 SNLWJPIIMHFCHS-QFBILLFUSA-N 453.634 2.486 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1507844858 RHOWBMOCUUTDHH-OALUTQOASA-N 455.625 2.220 30 10 JEEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC=C(C(F)(F)F)CC1 1507868505 LEOXLXOHLVPEOY-CYBMUJFWSA-N 455.890 2.062 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[C@@H](OCC)C(C)C)CC1 1507884618 KMSCWTWUXAJFDF-RTBURBONSA-N 455.625 2.219 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 1508092955 SFILEKLRYFTPEC-IBGZPJMESA-N 495.584 2.477 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC=C(C)CC1 1508144118 BIFMBOLXKVJUNF-SFHVURJKSA-N 481.619 2.344 30 10 JEEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 1509949247 CHJZXZWMBUTWPO-FCEUIQTBSA-N 486.642 2.210 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc2c(cc1OC(F)F)OCO2 1510147740 CYBHPDHXNNNGSJ-NWDGAFQWSA-N 486.501 2.005 30 10 JEEE C#CCN(C(=O)[C@H]1CCCN(S(C)(=O)=O)C1)[C@H]1CCOc2ccc(Br)cc21 1529627784 XUBUVPVROYCCGH-YOEHRIQHSA-N 455.374 2.406 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1538976900 QLGKRIRJUPTYPX-UWDQQESISA-N 453.587 2.289 30 10 JEEE C#CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1539097208 FXWZLFXZBDWPGN-CYFREDJKSA-N 480.613 2.365 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H](C)COc1ccccc1OC)[C@H]1CCS(=O)(=O)C1 1539215745 IAPFGCZASMOKBP-OALUTQOASA-N 496.593 2.086 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@H]1CCC2(C1)OCCO2)[C@H]1CCS(=O)(=O)C1 1539220877 VVHNYBIGPMRACH-ROUUACIJSA-N 450.605 2.037 30 10 JEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cccc(NC(C)=O)c1 1539258610 YRRYGDOBIQKMIU-UHFFFAOYSA-N 475.578 2.318 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1539438270 UTPKRDQFZGLXBX-OAHLLOKOSA-N 498.472 2.349 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@H]2CCCOC2)CC1 1539489871 YOHDXFJHYWOYJO-IBGZPJMESA-N 467.570 2.258 30 10 JEEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC2(CCN(C)C2=O)CC1 1539612365 LQNHVJAYKPQMCX-HOTGVXAUSA-N 468.396 2.359 30 10 JEEE C=C(Br)Cn1c(N2CCO[C@H](c3nnc(C)o3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1539612673 PIOMVXSTAFTVDR-HNAYVOBHSA-N 483.367 2.497 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1conc1COC 1540128110 IWQFSVMINMIFRY-IBGZPJMESA-N 482.566 2.427 30 10 JEEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H](Oc2ccccn2)C1 1540854986 RQQXHZUKMAZANE-SFHVURJKSA-N 454.556 2.434 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 1540869974 BLLGRGYENCADMK-VQIMIIECSA-N 471.537 2.014 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCN(c2nccc(OCC)n2)CC1 1540900057 JXSHGCVLGJGKLJ-UHFFFAOYSA-N 483.598 2.061 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1540909172 ZZOXUSKTZLUATE-HKUYNNGSSA-N 463.579 2.270 30 10 JEEE C=CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@H](C)O[C@H](COC)C1 1540913851 VMDCZMUWAXDNDN-IRXDYDNUSA-N 470.599 2.351 30 10 JEEE C[C@@]1(C(N)=O)CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCN(CC(F)(F)F)C2)C1 1541994792 COHLRVFUEHLQSS-IIBYNOLFSA-N 461.492 2.403 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1588035200 PXYPBCBPZOZVTM-RDJZCZTQSA-N 466.510 2.210 30 10 JEEE C#CCN(c1nnc(COc2ccccc2CC)n1CC1=CCCOC1)[C@H]1CCS(=O)(=O)C1 1588069385 MPMRAHNWECIZSZ-NRFANRHFSA-N 470.595 2.393 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CC1(CN2CCOCC2)CCCCC1 1588171017 QZDUCRNEXJSCJZ-UHFFFAOYSA-N 466.630 2.260 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(=O)N(C)C 1589215892 HHWZKXPCSFAPEI-UZUQRXQVSA-N 460.579 2.057 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1CC1CCS(=O)(=O)CC1 1589242690 GASRVLSFCSNMST-OAQYLSRUSA-N 461.613 2.087 30 10 JEEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](Cn2cccn2)C1 1593711900 LTAGBZPRCAYBLK-FQEVSTJZSA-N 486.598 2.043 30 10 JEEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)NC2CCCCC2)CC1 1593806959 GSECDYLJJJVBFL-HNNXBMFYSA-N 473.043 2.306 30 10 JEEE C=C1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(C(=O)NCC(N)=O)cc2)CC1 1594063741 CKWJFVUUXNFWOE-UHFFFAOYSA-N 465.945 2.413 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1595500662 AVIUINSKKGURIY-IBGZPJMESA-N 498.584 2.456 30 10 JEEE C[C@@]1(C(N)=O)CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2nccc(C(F)F)n2)C1 1611778203 DOCRIQFQWMXLTA-JOCHJYFZSA-N 468.468 2.206 30 10 JEEE C=CCN1CC[C@@H](N(C)CC(=O)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)C1=O 1645434651 DYEPGPOCPSMRJY-MRXNPFEDSA-N 459.900 2.121 30 10 JEEE CCc1nn(CC(=O)Nc2ccc(C)c(S(=O)(=O)N(CC)CC)c2)c(=O)c(C#N)c1CC 1656275921 BPOORVOTQIXSAL-UHFFFAOYSA-N 459.572 2.217 30 10 JEEE C#C[C@@H]1CCCCN1CC(=O)NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S 1656425921 FAPOIAAXJVKRGX-PUMYGXPMSA-N 457.577 2.220 30 10 JEEE C#C[C@@H](NC(=O)NCc1cccc(-n2cc(CNC(=O)OC(C)(C)C)nn2)c1)[C@@H]1CCCO1 1681593115 NMGMMSVAAHOMJQ-UXHICEINSA-N 454.531 2.272 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2CCCC(=O)NC2CC2)c1 1689873836 YOROHZXIXYBVOA-HXUWFJFHSA-N 450.543 2.245 30 10 JEEE C#CCCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1689876869 KURXCLKVOOZGPU-NRFANRHFSA-N 491.600 2.174 30 10 JEEE C#CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1689928118 HKNPEWAVGXTGSR-PMACEKPBSA-N 474.606 2.147 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2ccc3c(c2)CCCO3)CC1 1690137522 BYDGGJQEPFGBSK-LJQANCHMSA-N 481.597 2.341 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](CC(C)C)N(C)C)CC1 1690148705 QMJJRJWZQVIDSH-JOCHJYFZSA-N 451.619 2.206 30 10 JEEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H](C(C)C)N1CCOCC1 1690526219 YWUSDEVSCLEUHB-OAQYLSRUSA-N 454.623 2.431 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN([C@H](C)c2cccc(OC)c2)CC1 1690673035 MBGDGPAAMMBZAV-HXUWFJFHSA-N 475.597 2.458 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@H](C(=O)NC)C1 1690715383 KDPNFSOWOLRGEH-IRXDYDNUSA-N 479.578 2.120 30 10 JEEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC(N2CCNC2=O)CC1 1705527118 WGAFDVDKKQMNKB-UHFFFAOYSA-N 468.558 2.378 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CCCN1CCCO 1705581407 ATVAQWNJCJZDCO-FCHUYYIVSA-N 484.645 2.312 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC1(S(C)(=O)=O)CCC1 1705592489 YFSHSKWMHQJDFN-UHFFFAOYSA-N 486.594 2.401 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1Cc1c(Cl)c(C(F)(F)F)nn1C 1705621738 MRRXPALRFSWRSP-UHFFFAOYSA-N 496.881 2.465 30 10 JEEE C#CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCCOC 1705661817 JQNIQKWMMOCGDX-KRWDZBQOSA-N 453.609 2.426 30 10 JEEE C#CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC(=O)N(C)C[C@H]1C 1705664838 CKSRGFFRNJXRTQ-SJORKVTESA-N 462.620 2.383 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CC(=O)N(c2ccccc2)C1 1705709848 FHQAUOGPJMQPAS-ROUUACIJSA-N 460.604 2.344 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CCSC1 1705859496 BGULWSGLZIHWHO-DENIHFKCSA-N 473.624 2.112 30 10 JEEE C=CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1705887006 YPOARWALTKEFTH-SFHVURJKSA-N 484.601 2.290 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1705909480 YHALLEGFBVVJCJ-YMHPGAPWSA-N 461.607 2.272 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CCOC2(CCOCC2)C1 1705938251 SEZACSWDHDOYLW-UHFFFAOYSA-N 476.599 2.152 30 10 JEEE CNC(=O)[C@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2nccc(C(F)F)n2)C1 1711324610 DHMBMFHSFCOEJH-HSZRJFAPSA-N 482.495 2.467 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 1722296521 QYYNNOZEFVPBKJ-WMZOPIPTSA-N 463.604 2.205 30 10 JEEE C#CCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1722328282 YWAPHLVEKPAMIS-UHFFFAOYSA-N 472.952 2.422 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1CC1(C)COC1)[C@H]1CCS(=O)(=O)C1 1722358665 DZYDRUBQHYKXMW-HNNXBMFYSA-N 452.939 2.401 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@H](CC)OC)[C@H]1CCS(=O)(=O)C1 1722369562 AYNUHOSLQCJNNH-IRXDYDNUSA-N 450.536 2.048 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(C[S@](C)=O)cc1 1722403419 QFUYDNOFFOMPQS-YJRLZVGASA-N 454.596 2.392 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(Br)ccc1OC 1722429414 QQKCUKHWNGCEPE-HNNXBMFYSA-N 497.415 2.086 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CC[C@H](OCC)C2CCCC2)CC1 1722441481 RHAZTAPFCCNMSD-QFIPXVFZSA-N 484.645 2.465 30 10 JEEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 1722523154 DDGZXWDFAVFYPD-ROUUACIJSA-N 458.588 2.315 30 10 JEEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2cccc(F)c2[C@H]1C 1722537854 RWWAZYRDFAAXOD-XLIONFOSSA-N 493.605 2.467 30 10 JEEE C=C(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ncccc2C#N)CC1)c1ccccc1 1722539222 JMZQAQYNEIRFDU-LJQANCHMSA-N 492.609 2.195 30 10 JEEE C=C(Cl)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1722542729 GRMRDRXHOMQXDC-GOSISDBHSA-N 452.003 2.427 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2ccccn2)n1CCN1CCCS1(=O)=O 1722656413 CCUYWNDSNRWASC-UHFFFAOYSA-N 477.594 2.364 30 10 JEEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1722737209 WXPCHDRAFVQSQK-UHFFFAOYSA-N 455.650 2.273 30 10 JEEE CC(C)COc1cccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@H](C)C#N)c1 1723487356 DABFIYVFYHKEGZ-NQIIRXRSSA-N 490.630 2.290 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1CCCN(c2ccccc2)C1 1740592022 SFAGAKOGLQVMNG-VXKWHMMOSA-N 486.642 2.130 30 10 JEEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(-c2ccsc2)nc1 1740630133 FWJVSIUVRBWDHK-INIZCTEOSA-N 454.581 2.133 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCO[C@H]1C(C)C 1740682004 ZWHMFEYFNMZSAP-CTNGQTDRSA-N 450.547 2.068 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC2CCC(OC)CC2)CC1 1740703648 ZXFVMVPJIXUAFC-AJPKXHFHSA-N 473.618 2.101 30 10 JEEE C#CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(CC)[C@@H](C)C1 1740715898 PNTXNQHMCHYUMP-KRWDZBQOSA-N 461.661 2.135 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC(C)(C)C 1740760680 KJHZVBXMBCMEOT-KURKYZTESA-N 455.625 2.075 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)CN2CCCC2)CC1 1740839013 DQYVHOFCBQCWIM-HXUWFJFHSA-N 480.679 2.135 30 10 JEEE C=CCCOCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCNC(=O)C1 1740883641 BEQWTNJOXPRBBJ-UHFFFAOYSA-N 450.337 2.245 30 10 JEEE C=CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC1(S(C)(=O)=O)CC1 1740897487 IWCICOSGYIKCIE-UHFFFAOYSA-N 456.572 2.264 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CCNC(=O)Cc2cccc(F)c2)C1 1740979438 FDZHLMQBXJTHGA-TZIWHRDSSA-N 457.550 2.451 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CC[C@@H]1CCCCO1 1741942330 BQOMNQJHRMEBQJ-DZFGPLHGSA-N 488.614 2.297 30 10 JEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1748734705 HZQZAFZPNQAQPA-LJQANCHMSA-N 486.642 2.302 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2Cc2snnc2C)CC1 1748984807 RUSGPRWPZGQSNQ-UHFFFAOYSA-N 453.572 2.316 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@](C)(O)CC)CC1 1748989699 BGHITURREOUHJF-DVECYGJZSA-N 460.623 2.309 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2cc(C)nn2C)CC1 1749019492 WEZOEQDOTNCLLF-NHCUHLMSSA-N 467.618 2.253 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NCC)CC1 1749120559 FVXVSZCQKQKEAL-FYYLOGMGSA-N 463.586 2.056 30 10 JEEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1CCCCC1 1749229104 GWZDJJKBYSHVJA-LJQANCHMSA-N 455.625 2.220 30 10 JEEE C=C1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCNS(C)(=O)=O)CC1 1749303783 PCSIQUUGHJMGSB-UHFFFAOYSA-N 468.624 2.098 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC(=O)N(C)C)C1 1749710398 WTXPPDLSELPKIL-QZTJIDSGSA-N 462.595 2.262 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@](C)(O)C(C)C)[C@H]1CCS(=O)(=O)C1 1760182987 NTHNTOADCNLJFD-RDPSFJRHSA-N 487.626 2.181 30 10 JEEE C#CCN(CC#C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CC1(O)CCS(=O)(=O)CC1 1760193931 AFAYKZXXYOYETB-FQEVSTJZSA-N 470.595 2.047 30 10 JEEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(=O)NC1CCCCC1 1760218996 RREVPDCDYPLIOU-UHFFFAOYSA-N 474.613 2.364 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1cccn(CC)c1=O 1760252018 AGNXSCDWPFZMNM-BGYRXZFFSA-N 484.601 2.365 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@H]2CCSC2)CC1 1760255210 WBJVPZJFDOFNFO-QGZVFWFLSA-N 457.600 2.479 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CC(=O)NCC=C)CC1 1760255302 GTAFYQLMUYWFFI-UHFFFAOYSA-N 457.376 2.073 30 10 JEEE C#CCSCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC(CNS(C)(=O)=O)CC1 1760283250 GXPZWOQJZLPTOR-UHFFFAOYSA-N 486.667 2.482 30 10 JEEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 1760440256 FKNHBBQEWXYYQY-GOSISDBHSA-N 457.600 2.170 30 10 JEEE C=CCN(CC=C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCOC[C@H]1OC 1760493863 DCAHBOQNGZLNEO-YLJYHZDGSA-N 450.543 2.422 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCCN(c2nc(CC)ns2)CC1 1760520497 PMLCWDNRFSHIDX-UHFFFAOYSA-N 482.614 2.387 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCN(Cc2cccc(Cl)c2)CC1 1760523374 WHSVRELVOMREGV-UHFFFAOYSA-N 452.950 2.013 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@]2(N(C)C)CCSC2)C1 1760538936 WULCEJHNSVZMAJ-STZQEDGTSA-N 451.637 2.149 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC([C@H](O)c2ccc(F)cc2)CC1 1760548400 FUHFJYLQZRNRAU-HXUWFJFHSA-N 493.605 2.106 30 10 JEEE C=CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)COC)CC1 1760559911 VOWKVSRUIZEMSY-UHFFFAOYSA-N 472.615 2.361 30 10 JEEE CC(C)SCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@H](C#N)C1 1761326398 GZLIVYWRRDTSOA-KRWDZBQOSA-N 464.617 2.066 30 10 JEEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)CN2CCCC2)CCN1S(C)(=O)=O 1770661192 GXKPKMTZAXXQGI-IBGZPJMESA-N 485.658 2.409 30 10 JEEE N#C[C@]1(F)CCN(c2nnc(COc3ccccc3F)n2C[C@@H]2CCCCS2(=O)=O)C1 1771530231 FNTJLYULTDERJZ-MGPUTAFESA-N 451.499 2.405 30 10 JEEE CC(=O)Nc1nnc(S(=O)(=O)N[C@@](C)(C#N)CCc2ccc(Br)cc2)s1 1858060400 KXIMLKYVSKCROV-OAHLLOKOSA-N 458.363 2.452 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)C(=O)N[C@H](C(=O)O)[C@H](C)CC)c(C(=O)OCC)c1C 1860760697 CXFGEFVFGNFTKM-MFKMUULPSA-N 454.501 2.130 30 10 JEEE C=CCN(CC=C)C(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)c1ccc(NS(C)(=O)=O)cc1 1862136146 IQMACDYWPIFENW-OAQYLSRUSA-N 457.552 2.305 30 10 JEEE O=C(O)Cn1cc(/C=N/n2c(S)nnc(Cc3ccccc3[N+](=O)[O-])c2=O)c2ccccc21 1873494682 FKJSYXDTHHHYGP-LSHDLFTRSA-N 464.463 2.348 30 10 JEEE C=CCn1c(C(=O)NCc2ccccn2)cc2c(N3CCN(c4ncccn4)CC3)ncnc21 1873594908 HCZZTVPIWXCWTH-UHFFFAOYSA-N 455.526 2.059 30 10 JEEE COC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1ccc(OC)cc1OC 1874336403 FLRIEIPHCVHLLJ-GTQIFZCBSA-N 461.544 2.167 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2124537475 YQHXLECASIREJO-YOEHRIQHSA-N 450.316 2.434 30 10 JEEE COC[C@H](ONC(=O)OC(C)(C)C)C(=O)NCCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2180991213 KVAMULBLQPERKS-SFHVURJKSA-N 464.368 2.116 30 10 JEEE CC(C)(C)OC(=O)N[C@]1(C(=O)N2CC[C@@H]3C[C@@]3(B3OC(C)(C)C(C)(C)O3)C2)CCS(=O)(=O)C1 2194122486 BBTHVNJYKONHJF-UJUVCNOISA-N 484.424 2.153 30 10 JEEE Cc1cnc(OCCN2CCN(C(=O)OC(C)(C)C)CC2=O)c(B2OC(C)(C)C(C)(C)O2)c1 2241084315 ZOBCJDHTYPYDSE-UHFFFAOYSA-N 461.368 2.147 30 10 JEEE C=C(CS(=O)(=O)NC[C@@H]1CN(C(=O)OCc2ccccc2)CCO1)B1OC(C)(C)C(C)(C)O1 2247903324 GIJRBFKDAVETSV-LJQANCHMSA-N 480.392 2.131 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@](CO)(NC(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2255541335 ZZQVCDFTVCQYSQ-OAQYLSRUSA-N 452.382 2.149 30 10 JEEE Cc1c(C(=O)N[C@@H]2CC[C@@H]2NC(=O)OCc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2255665818 KREZGNGCELMXAH-MSOLQXFVSA-N 468.363 2.215 30 10 JEEE Cc1c(C(=O)N[C@@H]2CCN(C(=O)OCc3ccccc3)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2255816506 GPJFSFXDBLAABT-GOSISDBHSA-N 468.363 2.169 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)NCc2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2256742126 RYCLKFVVJHYPNK-NRFANRHFSA-N 452.382 2.035 30 10 JEEE C=C(CS(=O)(=O)NCCOC(C)(C)CNC(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2263842934 WSBMYQHCGVFJPK-UHFFFAOYSA-N 462.418 2.413 30 10 JEEE C[C@H](CCCN(C)C(=O)OC(C)(C)C)NC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2267184144 KZKCNZKTWHLJNV-OAHLLOKOSA-N 450.389 2.485 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)[C@H](CO)C1 2267277324 NPRGNOKPOREOKN-LSDHHAIUSA-N 466.409 2.395 30 10 JEEE CC(C)(C)OC(=O)NCCCCCNS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2267377971 IYIANIHVXRJVLF-UHFFFAOYSA-N 469.413 2.354 30 10 JEEE CC(C)(C)OC(=O)N1CCSC[C@H](NC(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267588207 JCOPNRCNSFLLDE-QGZVFWFLSA-N 463.409 2.463 30 10 JEEE Cc1ccc(S(=O)(=O)N[C@H]2C[C@H]2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2267703954 FSBZJPNJQLXFAQ-RDJZCZTQSA-N 466.409 2.486 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H](NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1)C1CC1 2267706256 UPXBFSBBSRHCLI-CQSZACIVSA-N 487.453 2.165 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@H]2[C@@H](C(=O)NCc3ccc(B4OC(C)(C)C(C)(C)O4)s3)[C@@H]21 2268722182 WOTQOEDMDXMCCU-YESZJQIVSA-N 464.393 2.298 30 10 JEEE C[C@@H](OCc1ccccc1)[C@H](NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2269039739 VZISKPHRSYIUGZ-KDOFPFPSSA-N 481.401 2.384 30 10 JEEE CCO[C@@H]1C[C@H](NC(=O)OC(C)(C)C)[C@@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2282179727 OFYBPNNLMIFFTK-KSZLIROESA-N 461.368 2.181 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@](CO)(NC(=O)c2cccc(F)c2B2OC(C)(C)C(C)(C)O2)C1 2282404457 IHBFQEJOZVIPNJ-QHCPKHFHSA-N 464.343 2.227 30 10 JEEE CO[C@@H]1CN(C(=O)c2ccc(F)c(B3OC(C)(C)C(C)(C)O3)c2)C[C@@H]1NC(=O)OC(C)(C)C 2282475412 OQNYXMHZVLUJPZ-ZWKOTPCHSA-N 464.343 2.489 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1[C@@H]2C[C@H]2CN1S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282498603 GYRUDVJCWCFEMR-SQWLQELKSA-N 499.464 2.117 30 10 JEEE CCc1nc(C(=O)NC[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2282524569 DSHOLFHGZLOBRV-JOCHJYFZSA-N 481.424 2.106 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)[C@H](CC(F)F)C1 2282577575 GVVFIIIRQYTOSU-CYBMUJFWSA-N 470.326 2.426 30 10 JEEE C[C@@H]1CN(C(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)C[C@]1(C)CNC(=O)OC(C)(C)C 2282578589 UBKUHDZYSSMZSF-CMJOXMDJSA-N 462.400 2.342 30 10 JEEE CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](CNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2282581057 BUVFQTYPQCNOMH-ZDUSSCGKSA-N 470.326 2.331 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](NC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)CCO1 2282665152 MDZPMXBMORPGFN-JKSUJKDBSA-N 461.368 2.183 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@]2(CCCN2C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2283062306 SGRFNHCSUTWWKB-QHCPKHFHSA-N 458.368 2.391 30 10 JEEE C[C@@H](c1cc(B2OC(C)(C)C(C)(C)O2)cs1)N(C)C(=O)CNC(=O)CNC(=O)OC(C)(C)C 2283952541 JUBDKZKUCUGYLA-AWEZNQCLSA-N 481.424 2.208 30 10 JEEE CC(C)(C)OC(=O)N1[C@H](C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)C[C@@H]2OCC[C@@H]21 2283963175 IFDXXHWRZBXPQN-JYJNAYRXSA-N 459.352 2.486 30 10 JEEE CN(Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)[C@H](O)C#CC1(S(C)(=O)=O)CCC1 2302954627 GPYOCXNBQAEHNA-WOJBJXKFSA-N 450.601 2.343 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)Nc1cc(F)c(F)cc1B1OC(C)(C)C(C)(C)O1 2351780391 GAUFCEBCQOBYCV-LBPRGKRZSA-N 456.295 2.478 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2N(C(=O)OC(C)(C)C)CC2(C)C)n1C 2362334555 YMIVFIZFGOXHIC-OAHLLOKOSA-N 462.400 2.403 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@H]2C[C@@H](NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)c[nH]3)C[C@@H]21 2368868633 ZGRJHCUBQJXHNB-RYQLBKOJSA-N 461.368 2.211 30 10 JEEE Nn1c(N/N=C/c2cc([N+](=O)[O-])ccc2O)nnc1SCC(=O)Nc1cccc(Cl)c1 20527362 IPJKHHWICGCDIN-DNTJNYDQSA-N 462.879 2.436 30 10 JEEE COc1cc(NC(=O)C[C@@H]2N=C(N/C(N)=N/c3ccc(C)cc3)N=C2O)cc(OC)c1OC 40376554 QFCQBBQOJVDFNP-HNNXBMFYSA-N 454.487 2.280 30 10 JEEE C=CCn1cc(/C=N/Nc2nc(SCC(=O)Nc3cc(OC)c(OC)c(OC)c3)n[nH]2)cn1 59831835 XPTPBDZAWZHABC-ZVBGSRNCSA-N 472.531 2.390 30 10 JEEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 497353135 YZKYUHJJIKKHGV-UHFFFAOYSA-N 461.544 2.252 30 10 JEEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)CN(C)S(=O)(=O)c1ccc(NC(C)=O)cc1 520140088 WFDLAAWASHSOBK-UHFFFAOYSA-N 460.512 2.389 30 10 JEEE C#CCN(C(=O)Cc1ccc(NC(=O)c2ccc(Br)o2)cc1)[C@H]1CCS(=O)(=O)C1 729334097 IZPYTHHIFCPOFN-INIZCTEOSA-N 479.352 2.486 30 10 JEEE CCOCCn1c(=C(C#N)C(=O)c2ccc(F)cc2)sc(=Cc2cnn3ccccc23)c1=O 729669399 OOYBIKCEQWISOI-UHFFFAOYSA-N 462.506 2.119 30 10 JEEE NC(=O)CSc1nnc(NN=Cc2ccccc2OCc2cccc(Br)c2)n1N 1083993847 ILRFEFXULSLIQJ-UHFFFAOYSA-N 476.360 2.357 30 10 JEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H](Nc3cc(OC)cc(OC)c3)C2)c1 1149999422 BATJCZKMDPTWGR-GOSISDBHSA-N 457.552 2.332 30 10 JEEE C=CCOC[C@@H](NC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)c(F)c1)C(=O)OC 1155779577 PLFYCMAHCADDSR-GOSISDBHSA-N 454.451 2.240 30 10 JEEE COC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c(OC)c1 1209025195 DTXBNLISAGLXGO-UHFFFAOYSA-N 457.508 2.393 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@H](C)Oc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1286387196 OTICLASZFZRFCP-OALUTQOASA-N 483.594 2.386 30 10 JEEE C#CCN(c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H](C)COC)[C@@H]1CCS(=O)(=O)C1 1286389426 JYEGAAFYCQQFAH-GHTZIAJQSA-N 468.583 2.040 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCOCC(F)(F)C(F)F)[C@@H]1CCS(=O)(=O)C1 1286389539 LXCPSBVSMFSUAP-OAHLLOKOSA-N 489.495 2.192 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H](c1ccc(CC)cc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1286389847 ROTOONOISDQJDS-JTHBVZDNSA-N 493.637 2.227 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCCCN1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1286390266 ZNGCASWCXDVNBA-VQTJNVASSA-N 458.632 2.412 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccsc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1286457886 GXBYPHAOKWFGBC-QFIPXVFZSA-N 474.583 2.259 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCN2C[C@@H](C)C[C@@H](C)C2)CC1 1286473467 LVSKDYKKSLAHAQ-SZPZYZBQSA-N 498.697 2.472 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3CC)n2CCCN2CCC(O)CC2)CC1 1286484392 NDANELABURPOBW-UHFFFAOYSA-N 466.630 2.022 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)CCNC(=O)C(C)C 1286552385 QHQRECQGDUCLAE-CTNGQTDRSA-N 479.589 2.110 30 10 JEEE C=C(C)CN(CC)c1nnc(COc2ccc(OC)cc2)n1CC1(O)CCS(=O)(=O)CC1 1286582498 BVTABXZEJORFNR-UHFFFAOYSA-N 464.588 2.208 30 10 JEEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 1286619866 DWXGXQFITKVYRT-GJZGRUSLSA-N 477.031 2.477 30 10 JEEE C=CCCCn1c(-c2ccccc2OC)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1286697688 RZFIJOQRVOEDQS-UHFFFAOYSA-N 485.614 2.473 30 10 JEEE C=CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1286769968 HXTDHSRCPSPHFL-SJLPKXTDSA-N 489.646 2.100 30 10 JEEE C=CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1286774176 AXHJZNQUYBDCHY-IAGOWNOFSA-N 468.624 2.097 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(C(=O)N3CCCC3)CC2)cc1 1286793929 PXVVZMVYURJLQP-UHFFFAOYSA-N 481.601 2.367 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1286799311 TVSMEUSWPZSHGM-JENIJYKNSA-N 496.655 2.051 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2ccc(F)c(F)c2F)C1 1286800335 JSPVKXLYKDAOHM-UKRRQHHQSA-N 473.521 2.330 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1Cc1nncn1CC 1292116413 AXQSSNSFVDGLAY-UHFFFAOYSA-N 494.579 2.194 30 10 JEEE CCN(CC)[C@H](C)Cn1c(-c2cccn2C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1295369283 CDADXNVAJXXVOL-GOSISDBHSA-N 464.622 2.254 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1Cc1ccc(C(N)=O)nc1 1300304684 POADWYJOSZCSAR-INIZCTEOSA-N 470.537 2.065 30 10 JEEE C#CCCCn1c(-c2ccccc2F)nnc1N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 1300401056 LXDNXSUHEIVQMI-SFHVURJKSA-N 463.579 2.374 30 10 JEEE C#CCCCn1c(N2CCC(N3CCN(C(C)C)CC3)CC2)nnc1[C@]1(OCC)CCOC1 1300425837 YQCLUBDUSKISCO-VWLOTQADSA-N 458.651 2.338 30 10 JEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCN1C[C@H](C)O[C@@H](C)C1 1300466665 ZQCFPYFNUGGQBR-UFYCRDLUSA-N 476.622 2.155 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CCOc1ncccc1F)[C@@H]1CCS(=O)(=O)C1 1300504322 LTWDAMRMFCQDFR-LJQANCHMSA-N 499.568 2.405 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(=O)NCC(F)(F)F 1300535026 HMFKJMDTSBABKM-INIZCTEOSA-N 482.507 2.144 30 10 JEEE C#CCN(CC#CC)c1nnc(Cc2cccnc2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1300587561 XEYARDJJMVAIAL-FQEVSTJZSA-N 460.504 2.380 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@@H](C)N2CCOCC2)CC1 1300690748 IFWXISFEVJWKBG-QGZVFWFLSA-N 491.409 2.323 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1301484286 DFMOFBGJHWISAD-UHFFFAOYSA-N 476.629 2.114 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC[C@@H](CNC(=O)Nc2ccc(C)cc2)C1 1301497484 YAEQFZVRNPDFCT-IBGZPJMESA-N 489.584 2.384 30 10 JEEE Cc1nsc(N2CCCN(c3nnc(-c4ccc(C#N)cc4)n3CCC(=O)N(C)C)CC2)n1 1304901238 BSGCMEAWUBTCNS-UHFFFAOYSA-N 465.587 2.172 30 10 JEEE CS(=O)(=O)CCCn1c(Cc2ccccn2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1316346696 FPFCXOUMJMFKNL-UHFFFAOYSA-N 483.573 2.036 30 10 JEEE C#CCN(c1nnc(C(C)C)n1C[C@H](c1ccc(C)cc1)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1358954959 BGBUJWQWKAAUHD-DHIUTWEWSA-N 485.654 2.410 30 10 JEEE C#CCN(c1nnc(-c2cccc(Br)c2)n1CCCCCO)[C@H]1CCS(=O)(=O)C1 1358956123 ATCORGRPXQPWOI-SFHVURJKSA-N 481.416 2.497 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@@](C)(O)c2ccccc2Cl)CC1 1359030240 RAFGPRNTWXNTEI-WZONZLPQSA-N 461.994 2.318 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC(C)(C)N2CCC[C@H](C)C2)CC1 1359040386 SBARQHNDYOTVNC-FKBYEOEOSA-N 458.651 2.268 30 10 JEEE C=C(Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1)c1ccccc1 1359138872 GEHOMPNNFFIBSQ-LJQANCHMSA-N 469.615 2.500 30 10 JEEE C=CC[C@@H](Cn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1)c1ccccc1 1359196195 ZBZFXVRGLHKDSY-FCHUYYIVSA-N 480.613 2.315 30 10 JEEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](O)CC2(CCCC2)C1 1359203087 ICMLWUDAYFVOHT-RTBURBONSA-N 467.636 2.099 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc(-c2cnccn2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1359274958 GJMAVQICHUPHGU-FQEVSTJZSA-N 467.599 2.252 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1C[C@@](C)(O)c1ccccc1Cl 1360671618 HIJLPWFRJUVJDJ-VBKZILBWSA-N 466.995 2.189 30 10 JEEE CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)C1 1465618322 HFSALLOWTMTLKL-ZCVTZRSQSA-N 453.630 2.336 30 10 JEEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@H]1CCCN1C(=O)/C=C/c1ccc(C(N)=O)cc1 1467932479 MRTLWGWJSFIENB-JNKLARPZSA-N 451.523 2.480 30 10 JEEE C#CCC1(O)CCN(C(=O)C2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)CC1 1471521565 JXUZBPKBEVMRKK-UHFFFAOYSA-N 458.502 2.483 30 10 JEEE COC(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](N2CCOCC2)C(F)(F)F)C1 1503861986 DZFMBGLTVKUDBX-ROUUACIJSA-N 478.475 2.079 30 10 JEEE COc1cccc(O[C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)c1 1504363006 GRFMBBSOCLAPDN-CVEARBPZSA-N 462.576 2.104 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CC1(O)CCS(=O)(=O)CC1 1507523650 OOLDWBJTARTRMU-AWEZNQCLSA-N 497.415 2.114 30 10 JEEE C#CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1507562142 HBVGFXUQWITWTO-LJQANCHMSA-N 461.574 2.417 30 10 JEEE C#CCCCn1c(-c2noc3c2COCC3)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1507582116 BVYKIAGNEWGMPM-UHFFFAOYSA-N 466.464 2.314 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCCC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1507623087 OSDQTYVLTYOECF-QGZVFWFLSA-N 458.588 2.378 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@@H]1CCCCN1CC)[C@@H]1CCS(=O)(=O)C1 1507629722 WHNSBVUWVHLITI-LEWJYISDSA-N 471.627 2.455 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC(=O)Nc1c(C)cccc1C)[C@H]1CCS(=O)(=O)C1 1507633393 SEBLWDKOHJMMIP-UXHICEINSA-N 485.610 2.054 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccc(Br)cc2)n1CC(=O)NCC1CC1 1507654981 WXFCAWHFJGAONX-UHFFFAOYSA-N 456.344 2.219 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOc1ccc(F)c(Cl)c1 1507711097 NRBJWHGKLSYOBA-OAHLLOKOSA-N 470.954 2.138 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CCn2cc([C@H]3CCOC3)cn2)CC1 1507742839 SCEXTESCQYZGJL-FQEVSTJZSA-N 467.618 2.233 30 10 JEEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1507750267 OOYCVGKYZHVBHA-UHFFFAOYSA-N 470.624 2.459 30 10 JEEE C#CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(CC(C)C)C(=O)C1 1507751056 CSQANMXSSCQBQS-UHFFFAOYSA-N 465.583 2.265 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1507799029 UZHLEFRKBLMPNS-IRLDBZIGSA-N 496.612 2.108 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)CC)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1507804114 IPRIWMAYLXVKSV-LMNJBCLMSA-N 491.662 2.326 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(C(N)=O)nc1 1508018295 BYBMHJGZGIHTKE-IBGZPJMESA-N 483.573 2.307 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1508082562 UHXFTFONKKAGAV-KRWDZBQOSA-N 455.563 2.336 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 1508084454 OHAZCHXMDQOVDI-QGZVFWFLSA-N 455.563 2.012 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1508106974 WKCNLFJZRHHIKE-ZWKOTPCHSA-N 475.615 2.385 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCN2CC=CCC2)C1 1508116641 KJMXVHFTOHSJFC-FQEVSTJZSA-N 457.600 2.392 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(C(=O)OC)CC1 1508134377 DGEAATSSBSDHHR-IBGZPJMESA-N 461.588 2.309 30 10 JEEE CCN(CC)C(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(O)(CC)CC)CC1 1515488574 AKGPMTARFDRHQI-UHFFFAOYSA-N 467.618 2.358 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(OC)ccc1OC(F)F 1538975076 XJRHPJSGXCCGIV-CHWSQXEVSA-N 457.503 2.005 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCCN2CCCC2)cc1 1539017192 YHTLQSXNLRVQCR-TZIWHRDSSA-N 471.627 2.161 30 10 JEEE C#CCN(c1nnc(-c2ccccc2F)n1Cc1nnc(CC)s1)[C@@H]1CCS(=O)(=O)C1 1539210928 ICHFDIHVOOWFRK-CQSZACIVSA-N 460.560 2.173 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1CCN(C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1539211793 PCESPWAFZXLWFW-FQEVSTJZSA-N 450.568 2.103 30 10 JEEE C#CCN(c1nnc(COc2ccccc2OC)n1CCc1cccnc1)[C@H]1CCS(=O)(=O)C1 1539231122 ORAMJMKURRGSJZ-FQEVSTJZSA-N 481.578 2.130 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@](C)(O)c2ccccc2)CC1 1539468604 GDATYTRXYIBLMT-KAYWLYCHSA-N 495.624 2.192 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2Cc2nnc(C(C)(C)C)s2)CC1 1539475455 GTWKNJLHIVOGLE-UHFFFAOYSA-N 452.588 2.436 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2CC[S@@](=O)C(C)(C)C)CC1 1539484201 GWNFCYPYJBLWMS-WJOKGBTCSA-N 461.657 2.443 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N(C)CCS(C)(=O)=O 1539621768 BUHAHHGJTHLOGP-OXQOHEQNSA-N 464.588 2.424 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N(C)CCS(C)(=O)=O 1539621770 BUHAHHGJTHLOGP-UZLBHIALSA-N 464.588 2.424 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccccc2OC)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1539643706 XMAYJWNWCWYDTP-IPRDPGLQSA-N 486.569 2.207 30 10 JEEE C=C(Cl)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(CC(=O)NCCOC)CC1 1539792875 BUMWZXLLDIZBEG-UHFFFAOYSA-N 471.993 2.074 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2csc([C@H](C)OC)n2)CC1 1539891093 XQEGBTLXETUGRZ-MAUKXSAKSA-N 496.659 2.226 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC=CCO1 1540148008 ZATJTCYLDIJLDK-HKUYNNGSSA-N 479.628 2.210 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1540186958 JLROURZLEXKQJK-RTBURBONSA-N 463.604 2.282 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CC[C@H](N2CCCCC2)C1 1540875108 BMPXVNLNVSZFTI-IBGZPJMESA-N 454.575 2.233 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(C)=O)C[C@H]1C 1540898793 VAKSBYHXMDOAIN-OAHLLOKOSA-N 451.980 2.256 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1540903297 CLVJYIORABCHJY-FDDCHVKYSA-N 478.590 2.383 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1CC1(C(=O)N(C)C)CCCC1 1541674622 HHFXIADRUJQUSP-UHFFFAOYSA-N 492.628 2.263 30 10 JEEE COCCCNC(=O)N1C[C@@H](C(N)=O)C2(CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)C1 1548375157 DULNMMQCLLOPDX-SFHVURJKSA-N 467.492 2.327 30 10 JEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](CNS(=O)(=O)C2CC2)C1 1556897644 PNVPDOKFZRLGEZ-GDBMZVCRSA-N 450.001 2.343 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2[C@@H]2C[C@H]2C(C)C)c1 1587692233 ANOAVAVVKCPGKJ-YSIASYRMSA-N 455.584 2.453 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CCc1ccccc1C)[C@@H]1CCS(=O)(=O)C1 1588034748 LHXKLTSZAZMXPZ-QPPBQGQZSA-N 472.611 2.108 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1cn(CCCCC)nc1C)[C@@H]1CCS(=O)(=O)C1 1588053987 JKQNSLPWFBVAQE-PZJWPPBQSA-N 474.631 2.152 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H](C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1588074465 NEBRRAXHQDRRJK-UVUJQTEASA-N 472.611 2.433 30 10 JEEE C#CCN(CCOC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H]1CCCn2cc(C)nc21 1588581156 IMIZRCDOGPKQFE-HYBUGGRVSA-N 456.591 2.487 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1CC1(N2CCC(OC)CC2)CCCC1 1588629150 ZFPMUGDUQWRYLL-UHFFFAOYSA-N 455.607 2.188 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1Cc1cccc(CN2CCOCC2)c1 1588647062 QSSZVGWWNRNENT-HSZRJFAPSA-N 453.587 2.139 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CCOc2ncccc2F)CC1 1588923691 JERAHDSDJJJLCH-UHFFFAOYSA-N 463.517 2.227 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2Cc2nnc(CC)s2)CC1 1588955474 YFERJJUIEFQREX-UHFFFAOYSA-N 470.628 2.062 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CC[C@@H]2CCCCO2)CC1 1588961849 OLAIGUAQFJYBQV-NRFANRHFSA-N 453.591 2.065 30 10 JEEE C=C(Cl)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@@H](C)C(=O)NC 1593884071 BHIOQSUPPFECKT-UKRRQHHQSA-N 456.975 2.157 30 10 JEEE C=CCCCCn1c(-c2cnn(C)c2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1594607909 BRVBMGKMNVGVEW-UHFFFAOYSA-N 476.632 2.311 30 10 JEEE C=CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1CCS(=O)(=O)N(C)C 1594896298 VJCITJXUDFUWNM-UHFFFAOYSA-N 458.382 2.230 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CCSC1 1595133620 JLFIIWXVQLTDNC-DYESRHJHSA-N 466.604 2.380 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1595475167 BDSCWFFVHRPALJ-YADHBBJMSA-N 452.603 2.423 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN(CCc2ccccc2)CC1 1595785039 QBTWMSSHMNTZSW-UHFFFAOYSA-N 468.627 2.249 30 10 JEEE CC(C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[S@](=O)C(C)(C)C)CC1 1610129949 GYERPMUJDWXNIL-UMSFTDKQSA-N 485.658 2.011 30 10 JEEE CS(=O)(=O)[C@H]1CCCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCSC2)C1 1620150309 ANVOTWSXDIOGSA-GHTZIAJQSA-N 461.613 2.088 30 10 JEEE C#CCN(C(=O)c1cnn2c1C[C@H](CNC(C)=O)CC2)C1CCN(C(=O)OC(C)(C)C)CC1 1638330780 DYBRPRYOWXPJMY-GOSISDBHSA-N 457.575 2.057 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1689929866 GIIZZLQVAWIHRA-JOCHJYFZSA-N 480.594 2.190 30 10 JEEE C#CCCCn1c(N2CCN(c3nccnc3C#N)C[C@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 1689941140 KSGCHYLQFGSOMT-NTKDMRAZSA-N 464.574 2.109 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@@H]1CCOC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1689982094 HQUFMSPIWXKUEA-IHPCNDPISA-N 458.584 2.253 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@H](C)Oc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1689993015 SVTPHBYCYLAKCI-RXVVDRJESA-N 483.569 2.497 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc3cccnc23)n1C[C@H]1CCCS(=O)(=O)C1 1690098455 JEVUJJOORMWCAH-GOSISDBHSA-N 453.568 2.404 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCCNC(=O)C(C)C)CC1 1690111880 LJVNXFRTTVQCLO-LJQANCHMSA-N 456.566 2.475 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C(C)(F)F)cc2)CC1 1690143964 HUHZSTPIFGPLOS-IBGZPJMESA-N 470.524 2.355 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(C(C)(C)O)cc2)CC1 1690146350 LTWPCWDUZIDEBG-HXUWFJFHSA-N 451.571 2.024 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1)C(C)C 1690581783 YOBFYAJBIISNSM-XUVXKRRUSA-N 473.622 2.205 30 10 JEEE C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1690631028 HJFNNAQWBJIXRE-CQSZACIVSA-N 450.385 2.258 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(Cc1ccccc1F)C1CC1 1690724545 RKVWXEAWNRORIQ-QGZVFWFLSA-N 482.603 2.089 30 10 JEEE Cc1cc(C)cc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCNC(=O)c2ccco2)c1 1692979356 GPBMNSMAUPFILM-IBGZPJMESA-N 450.499 2.226 30 10 JEEE COc1ccc(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)cc1OC(F)F 1697416612 FAFADDVRZPDWEK-AWEZNQCLSA-N 498.556 2.481 30 10 JEEE COCCN(CCC#N)c1nnc(-c2cc(OC)ccc2Br)n1C[C@H]1COCCO1 1698058161 BJPGAYPNMSAPKL-INIZCTEOSA-N 480.363 2.498 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1ccc(COCC)cc1)[C@@H]1CCS(=O)(=O)C1 1705564585 CPNVMYGUXZIEBV-FCHUYYIVSA-N 472.611 2.384 30 10 JEEE C#CCN(c1nnc(-c2nnc(O)c3ccccc23)n1C[C@](C)(O)[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1705566518 OYCMRFLXFBLVBI-SRGWNRLKSA-N 498.609 2.018 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC[C@@H](C)N2CCCCC2)CC1 1705635062 PXGYAMLPOCJINV-RDGATRHJSA-N 458.651 2.338 30 10 JEEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCOc2ccccc2C(C)C)CC1 1705642014 CMZAKZLUYWOXCV-UHFFFAOYSA-N 450.587 2.358 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2c(C)coc2C)CC1 1705645061 KHAILNTVZHDENO-XMMPIXPASA-N 455.559 2.154 30 10 JEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1705729204 OZPNHZQTMMLGFT-UHFFFAOYSA-N 470.549 2.208 30 10 JEEE C=C(C)COCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](C)O[C@H](COC)C1 1705737041 IQHMRSMKRHYJSU-UFYCRDLUSA-N 495.621 2.419 30 10 JEEE C=CCNC(=O)Cn1c(N2CCN(Cc3cccc(C)c3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1705908800 HUWFMTQAHOIQHM-SANMLTNESA-N 482.629 2.252 30 10 JEEE C=CCOc1ccc(Cn2c([C@H]3CCCCO3)nnc2N2CCN(C(=O)COC)CC2)cc1 1705911814 QTGHPRIRKUQRNW-OAQYLSRUSA-N 455.559 2.428 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2sccc2C)C1 1705926100 YMYGHKPDJXNWEO-QZTJIDSGSA-N 481.644 2.005 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCCO3)n2CC[C@@H]2COCCO2)c1 1722308967 IDDQJVDQZCPFRE-RTWAWAEBSA-N 453.543 2.381 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCCc1ccccc1)[C@H]1CCS(=O)(=O)C1 1722371853 ZCTMMNZHALSTJU-FKBYEOEOSA-N 472.611 2.262 30 10 JEEE C#CCSCCn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1722454588 MXPOCVPXFITIKN-GOSISDBHSA-N 470.599 2.323 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1722493522 ZBLOGOXQQZTZSO-FPRSRYDQSA-N 474.606 2.469 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1722509926 RFPSIZNXCICYMB-CGXNFDGLSA-N 493.674 2.150 30 10 JEEE C=C(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN([C@H](C)C(=O)NCCCOC)CC1 1722525709 HHYYCXWPEUSCOI-NJDAHSKKSA-N 476.666 2.436 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)N(C)Cc2ccccc2)CC1 1722566508 SQMPQYLFQRZOMN-RBBKRZOGSA-N 488.658 2.288 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cccc(Cl)c2)CC1 1722566765 YRUKYAHHYVUCJC-SFHVURJKSA-N 451.980 2.469 30 10 JEEE C=CCCOCCn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1722630586 KCQAVMAOENSGQR-LEWJYISDSA-N 460.623 2.245 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1722695692 MLFBYYGDWRCKPP-QGZVFWFLSA-N 464.492 2.315 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1722701843 GHSUOTSDXIARSN-HXUWFJFHSA-N 460.542 2.377 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@H]2CCOC2)C1 1722716654 XJYJBZLCDUPJIG-PKOBYXMFSA-N 461.588 2.013 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC(NC(=O)c2ccsc2)CC1 1722737252 YEHAOKPKUGPJRJ-GOSISDBHSA-N 479.628 2.191 30 10 JEEE CC(C)[C@](C)(O)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1723096630 CIDBMDVHCZLMAB-GBXCKJPGSA-N 452.559 2.371 30 10 JEEE CCO[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCNC(=O)c2ccc(C)cc2)CCOC1 1728794266 GVNYBVXHQAPQIZ-DHIUTWEWSA-N 456.522 2.111 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1noc(CC)n1)[C@@H]1CCS(=O)(=O)C1 1740627317 GJPFTDHVSUCUOM-MBOZVWFJSA-N 490.630 2.012 30 10 JEEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCNC(=O)C(C)(C)C 1740663264 DWRLGRGZFVKQKX-UHFFFAOYSA-N 459.620 2.168 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC(C)(C)CN2CCCC2)CC1 1740703395 QWDHZVGKMIBHFL-SANMLTNESA-N 486.661 2.018 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCOc2cccc(Cl)c2)CC1 1740705647 KEOPRVTXRDAOHF-SFHVURJKSA-N 457.962 2.480 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCSCCCO 1740726596 GCNRBGFDTXAJOW-JOCHJYFZSA-N 477.656 2.303 30 10 JEEE C=C(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1740782220 HLVVHMNTBOWQIT-SFHVURJKSA-N 482.651 2.487 30 10 JEEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1740858677 XHTJJAHHKYHARZ-SJORKVTESA-N 454.641 2.376 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1740980815 KBJSYVFAOBRQBP-IRXDYDNUSA-N 481.569 2.210 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCN(CC)[C@@H](C)C1 1740992671 LIBJNNCWSZAXCK-INIZCTEOSA-N 453.559 2.278 30 10 JEEE CCOC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCN(C(C)=O)CC2)C1 1747258079 DWGLJYYZEAGEPG-QFIPXVFZSA-N 465.602 2.234 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CCCc2nnc(C)s2)c1 1748692029 BMSMBBKZNGCOCN-GOSISDBHSA-N 478.582 2.078 30 10 JEEE C#CCCCn1c(Cc2ccccn2)nnc1N1CCN(CC(=O)NCc2ccccc2)CC1 1748756680 RGTYAPDDQVOWOL-UHFFFAOYSA-N 457.582 2.116 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@@H]1CCN(CCC)C1)[C@@H]1CCS(=O)(=O)C1 1748809374 LXJMYCWVXLBXEU-TZIWHRDSSA-N 471.627 2.312 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1CC1([S@](C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1748810486 WZGBJFJQYLJWGR-ZYSBOAIWSA-N 497.042 2.145 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCOc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1748814991 MKDXKWWWISPHQD-LJQANCHMSA-N 481.578 2.363 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1CCOc1ccc(F)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1748820623 GFWLKBNCUNDJGZ-MRXNPFEDSA-N 450.511 2.215 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N1CCc2ccccc21 1748891556 ABYCSJNMCCJLJK-TZIWHRDSSA-N 451.596 2.094 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC(=O)N[C@H](C)CC 1748945052 KYKSVXMDNJRSQY-MJGOQNOKSA-N 475.590 2.264 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2CCc2ccc(S(C)(=O)=O)cc2)CC1 1749010648 ULSYMQCVZHBJFW-UHFFFAOYSA-N 469.611 2.158 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H](C)CN2CCCCC2)CC1 1749019613 ATDRMFNDNBADQW-PUHATCMVSA-N 486.661 2.090 30 10 JEEE C#CCSCCn1c(-c2ccc(Br)s2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1749024498 SQONMHBXOVMABE-GFCCVEGCSA-N 467.418 2.349 30 10 JEEE C=C(Cl)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C(=O)NCCOC)CC1 1749278296 YQCZFKSBLQUHDE-UHFFFAOYSA-N 458.950 2.460 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@]1(C)COCCO1 1749552834 BNQOEIZVIXANHC-OXJNMPFZSA-N 452.602 2.240 30 10 JEEE CC(=O)N1CCC[C@H](Cn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N(C)[C@H](C)CC#N)C1 1749817137 IFWUORQTZKUNGQ-MJGOQNOKSA-N 487.630 2.192 30 10 JEEE COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(Cl)cc1F 1749829988 CMHLJKUEBNSISF-OAHLLOKOSA-N 455.943 2.387 30 10 JEEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2CCN(CCN(C)C)CC2)C[C@@H]1C 1749877954 BZGPQFATBBTRTR-QFIPXVFZSA-N 494.688 2.247 30 10 JEEE CS(=O)(=O)N1CC[C@@H](Cn2c(CCc3ccccc3)nnc2N2CCC(CC#N)CC2)C1 1750208327 CKHHKGNFDRFHPT-OAQYLSRUSA-N 456.616 2.475 30 10 JEEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1coc(-c2ccccc2)n1 1751095759 GPQDAKFFYHQBGJ-APWZRJJASA-N 485.570 2.053 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC(C)(C)N1CCOCC1 1760110876 HYSSTMHSDNBMEQ-GOSISDBHSA-N 463.586 2.244 30 10 JEEE C#CCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCO[C@@H](CNC(C)=O)C1 1760147681 WUXJATNQGFGUFH-KRWDZBQOSA-N 476.375 2.471 30 10 JEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1760157011 ASBPRCUSAYHQLS-UHFFFAOYSA-N 478.578 2.351 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CC1(OC)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1760186120 ANPCAOBEPFAQNJ-RBUKOAKNSA-N 450.605 2.148 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2CC[C@H](N2CCOCC2)C(F)(F)F)CC1 1760260323 OKCWULKHILIUFF-FQEVSTJZSA-N 477.535 2.057 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@H]2CCN(CC)C2)CC1 1760267223 VZVCDYDIPAVRGC-LJQANCHMSA-N 450.587 2.261 30 10 JEEE C#CCSCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@H](C(N)=O)C1 1760281850 YJPOFRPIMHUOCR-QZTJIDSGSA-N 476.647 2.461 30 10 JEEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](c2nccs2)C1 1760299618 BDOWXTCPHQQXNN-ZDUSSCGKSA-N 453.366 2.457 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNC(=O)Cc1cccc(F)c1 1760338255 ZXXVDSBKXFWRQS-GOSISDBHSA-N 463.579 2.081 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 1760357397 JALVZPRYPUBPMP-QUCCMNQESA-N 481.663 2.150 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CC[C@@]2(CCCOC2)C1 1760556817 QYJJVJSCCUYJGF-FQEVSTJZSA-N 451.618 2.242 30 10 JEEE C=CCSCCn1c(-c2cccc(C)n2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1760564304 VLYQRQRXIHRWND-UHFFFAOYSA-N 450.634 2.333 30 10 JEEE COc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@H](c3cccc(C#N)c3)C2)cn1 1768646296 HONLAZJNLDNZKT-FQEVSTJZSA-N 461.526 2.318 30 10 JEEE N#Cc1cccc(-c2nnc(N3CCC(OCC(N)=O)CC3)n2CCCN2CCCCCC2=O)c1 1771531193 FLCCJNIXQRWUDD-UHFFFAOYSA-N 479.585 2.080 30 10 JEEE O=C(C1=C(O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccc(O)cc1)c1ccc2c(c1)OCO2 1862625288 CNMRMENYYJRQRL-NRFANRHFSA-N 452.463 2.031 30 10 JEEE COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CCN2CCOCC2)cc1O 1862629777 DRKDSZPACRIBTH-QFIPXVFZSA-N 482.489 2.040 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)OCCOc2ccccc2)cn1C[C@@H](C)O 1870328528 DEUGIXNITFVUDI-HXUWFJFHSA-N 456.539 2.404 30 10 JEEE CN(C)CCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CN1CCC2(CC1)OCCO2 1870350190 UMQIUAINNNNDRA-UHFFFAOYSA-N 452.555 2.199 30 10 JEEE N#Cc1ccc(COc2cn(CCN3C(=O)CSC3=O)c(CN3CCC(CO)CC3)cc2=O)cc1 1870350695 RIRLULDITWZAOB-UHFFFAOYSA-N 496.589 2.199 30 10 JEEE C=CCn1cc(OCC(=O)OCC)c(=O)cc1CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1870692608 TUEJUGCLIKHBSW-UHFFFAOYSA-N 456.499 2.207 30 10 JEEE C=CCn1cc(OCC(=O)Nc2cc(C)ccc2C)c(=O)cc1CN1CCN(C(C)=O)CC1 1870760410 CKNMXGLNNQMAEL-UHFFFAOYSA-N 452.555 2.333 30 10 JEEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)NCCCN1CCCC1=O)n2CCCOC 1873585052 NUJXCAWRSOOCAN-UHFFFAOYSA-N 454.575 2.389 30 10 JEEE CCCNC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1ccccc1C(=O)O 1874338794 YIYLNXPOWPZWRP-PZLKWIMZSA-N 472.571 2.201 30 10 JEEE Cc1cccc(-n2ncc3c(=O)n4c(nc32)S[C@@H](CC(=O)NCC#CCN2CCCCC2)C4)c1 1891195368 KLBBLFCBLJVAHT-FQEVSTJZSA-N 476.606 2.361 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)CC[C@H]1CO 2060134560 AQLCOEJAAWKQCG-GVDBMIGSSA-N 454.568 2.308 30 10 JEEE CC(C)(C)OC(=O)N1CC(O)(C(F)(F)C(=O)N2C[C@H]3[C@H](B4OC(C)(C)C(C)(C)O4)[C@H]3C2)C1 2124538506 KNJFDJJLHCXMHI-WDNDVIMCSA-N 458.311 2.154 30 10 JEEE CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)N1CC(CB2OC(C)(C)C(C)(C)O2)C1 2124539068 QCJUPONILGBADB-KRWDZBQOSA-N 453.389 2.203 30 10 JEEE CC(C)(C)OC(=O)NC[C@@]1(CO)COCCN1Cc1ccccc1B1OC(C)(C)C(C)(C)O1 2162866969 CQZFBHNAQVGNLV-XMMPIXPASA-N 462.396 2.074 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1CCN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2247880272 DHAZTZJOMNHWRQ-CQSZACIVSA-N 458.411 2.335 30 10 JEEE CN(C1CN(C(=O)OC(C)(C)C)C1)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2247881029 PVXQZBSRKXMHRP-UHFFFAOYSA-N 458.411 2.287 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H]1NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2247950267 DHJRVVHQJHHGQB-OCCSQVGLSA-N 458.411 2.239 30 10 JEEE CC(C)(C)OC(=O)NC1[C@@H]2CN(S(=O)(=O)c3cc(B4OC(C)(C)C(C)(C)O4)cs3)C[C@@H]12 2255751500 BMEBPPIXZFWUPO-ZIAGYGMSSA-N 470.422 2.191 30 10 JEEE C[C@@H](c1cc(B2OC(C)(C)C(C)(C)O2)cs1)N(C)C(=O)[C@H](O)CNC(=O)OC(C)(C)C 2256667721 SCQRTZQQRSYMQW-DZGCQCFKSA-N 454.398 2.452 30 10 JEEE Cc1c(C(=O)N[C@@H](C)CCN(C)C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267148210 ZWQWXXFMXMQJJW-AWEZNQCLSA-N 450.389 2.403 30 10 JEEE Cn1nc(C(=O)N[C@@H]2[C@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2267182349 FNURMQURGUHVEJ-OUCADQQQSA-N 466.775 2.110 30 10 JEEE C[C@H](C[S@](C)(=O)=NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn1C)NC(=O)OC(C)(C)C 2267261375 UGXDLGLOFZDJJZ-ZZQWGBOMSA-N 469.413 2.476 30 10 JEEE CC(C)[C@@H](CNC(=O)OC(C)(C)C)NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2267468601 LQXMMTMOHRAHOK-CQSZACIVSA-N 489.469 2.411 30 10 JEEE CC(C)(C)OC(=O)NCC1(F)CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CC1 2267511582 FGVQSMZYDLRZBB-UHFFFAOYSA-N 452.336 2.178 30 10 JEEE Cc1c(B2OC(C)(C)C(C)(C)O2)csc1C(=O)NCC1(CO)CN(C(=O)OC(C)(C)C)C1 2267582880 JWWUNYLZQUNIKU-UHFFFAOYSA-N 466.409 2.315 30 10 JEEE CC(C)(C)OC(=O)NC1CC(CNS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2267705399 HVJLFNGZBHIXFV-UHFFFAOYSA-N 487.453 2.165 30 10 JEEE Cc1csc(CNC(=O)[C@H]2C[C@@H](O)CN2C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2268628743 MEEMMTONGYTUKZ-HUUCEWRRSA-N 466.409 2.342 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2CC[C@@]1(C(=O)N=c1nc(B3OC(C)(C)C(C)(C)O3)[nH]s1)C2 2268677938 XQAXWOWJWNTHKG-SQHYZVFZSA-N 464.397 2.281 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 2282054308 PCBZVMYALMBUCT-NVXWUHKLSA-N 460.384 2.284 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCCC[C@H](CNC(=O)OC(C)(C)C)C1 2282063809 QUUSJDQSOYLHHI-MRXNPFEDSA-N 462.400 2.486 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@]2(CCN(C(=O)c3ncsc3B3OC(C)(C)C(C)(C)O3)C2)C1 2282515569 SZAUHSCRPRNPDW-QFIPXVFZSA-N 479.408 2.294 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCCC23CN(C(=O)OC(C)(C)C)C3)n1 2282590950 JFPRVTBWTHNVTQ-UHFFFAOYSA-N 460.384 2.428 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)Nc2cccnc2NC(=O)OC(C)(C)C)n1 2282844425 CVWRDNZQPYZOPA-UHFFFAOYSA-N 479.368 2.262 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CC(=O)N(Oc2ccc([N+](=O)[O-])c(B3OC(C)(C)C(C)(C)O3)c2)C1 2283009113 CEWHHOCHOVAZBJ-ZDUSSCGKSA-N 463.296 2.313 30 10 JEEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@@H](NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)C2 2283061138 PGPMRSBRZQAJMJ-PHZGNYQRSA-N 458.368 2.436 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@H]1C[C@@H]2NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2283071147 BFVLIUKQFZEVAL-FXUDXRNXSA-N 458.368 2.197 30 10 JEEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@H](CNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)C2 2283071379 DKPFBNABZWWGKO-JYJNAYRXSA-N 458.368 2.294 30 10 JEEE COc1cc(OC)c2c(c1Cl)O[C@@]1(C(=O)C(=C(C)NCCN(C)C)C(=O)C[C@H]1C)C2=O 2297730970 JKZPEMGRBYWMDY-XFNZEKPQSA-N 450.919 2.274 30 10 JEEE CCOc1ccc(C=NNc2nc3c(c(O)nc(=O)n3C)n2C[C@H](O)COc2cccc(C)c2)cc1 2327753950 RTCFBIBKBWERMT-SFHVURJKSA-N 492.536 2.429 30 10 JEEE CC(=O)NCc1nnc(SCC(=O)N[C@@H](C)c2ccccc2)n1N=Cc1ccc(C(=O)O)cc1 2330794276 OQFMJGCQUQSXAX-HNNXBMFYSA-N 480.550 2.464 30 10 JEEE Cn1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H]3CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2359266118 DLRJWXXZCQVFCN-UXLLHSPISA-N 460.384 2.237 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2C[C@H]1CN(C(=O)c1ncc(B3OC(C)(C)C(C)(C)O3)cn1)C2 2359266886 BDSVBKLJNRZFOG-ZOBUZTSGSA-N 458.368 2.151 30 10 JEEE COc1[nH]c(=N[C@H]2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2365348901 WQHKQOQLNJXCLV-JKSUJKDBSA-N 463.384 2.296 30 10 JEEE C=CCN1C(=O)/C(=c2\sc3nc(-c4ccncc4)nn3c2=O)c2cc(Br)ccc21 34984075 LJADIOIFGCZFPE-NXVVXOECSA-N 466.320 2.426 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)[C@H](C)[S@](=O)CC(=O)Nc3ccc([N+](=O)[O-])cc3)cc21 586274066 JPWPZMPEHOIFCF-RPLXOIEJSA-N 471.491 2.465 30 10 JEEE CCOC(=O)COc1cccc(NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 603656760 FHGBMLSUVTWLJY-UHFFFAOYSA-N 472.523 2.039 30 10 JEEE COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1NS(=O)(=O)CCN1C(=O)c2ccccc2C1=O 712362942 GMKZCRFJIJSOPI-UHFFFAOYSA-N 486.355 2.032 30 10 JEEE CCOCCn1c(NN=Cc2ccc(OCc3ccccc3)cc2)nc2c1c(=O)n(C)c(=O)n2C 1081159652 WRELOXKYZLDTND-UHFFFAOYSA-N 476.537 2.495 30 10 JEEE C=CCSc1nnc(NC(=O)CSc2n[nH]c(NN=Cc3cnn(CC=C)c3)n2)s1 1084303312 JEHQTWCZICKOGH-UHFFFAOYSA-N 462.590 2.494 30 10 JEEE CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NCCS(=O)(=O)c2ccc(C#N)cn2)cc1 1192857211 AHYCFPMUPVMDSU-MRXNPFEDSA-N 450.586 2.108 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H](c1ccc(F)cc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1286386819 HYBOHBYWPOLZCY-IRLDBZIGSA-N 482.585 2.409 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCN(c2ccccc2F)C1 1286461881 ZDUAQOLVGTXASH-LJQANCHMSA-N 454.550 2.266 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCOC3)n2C[C@@H]2N(C)CCCC2(C)C)n1 1286471645 PWNPFCJPJGCAMD-UNMCSNQZSA-N 469.634 2.385 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCN2CCC[C@H](C)C2)CC1 1286486686 AKFQLSLSGWZEOA-HFZDXXHNSA-N 486.661 2.016 30 10 JEEE C#CCSCCn1c(-c2ccccc2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1286500389 WYHMPMKYCQWGJY-UHFFFAOYSA-N 465.583 2.369 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1nccs1 1286672731 QOHXSXWPGHPLBG-OAHLLOKOSA-N 454.622 2.306 30 10 JEEE C=CCCOCCn1c(-c2cccc3cccnc23)nnc1N(C)CC(=O)N1CCOCC1 1286709369 RGMAZBMSIFFHCX-UHFFFAOYSA-N 450.543 2.381 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCO[C@H](C(F)(F)F)C1 1286780317 DPEUGNPUJLKDRH-INIZCTEOSA-N 466.464 2.217 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1286782238 OWJWGPMMCUAVSD-QGZVFWFLSA-N 492.671 2.096 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 1286820571 NOETWPAVPDBSDT-AZUAARDMSA-N 481.663 2.498 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N(C)C1Cc2ccccc2C1 1286824540 DSAOUZOMVHJLRY-FPOVZHCZSA-N 460.600 2.207 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@@]1(N(C)C)CCSC1)[C@@H]1CCS(=O)(=O)C1 1300487166 HDRRLLRYFQBTKH-JPYJTQIMSA-N 489.667 2.018 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCSC1(C)C)[C@@H]1CCS(=O)(=O)C1 1300506199 PAKVNBLNSKQFOJ-OKYOBFRVSA-N 482.672 2.161 30 10 JEEE C#CCSCCn1c(Cc2ccccc2C)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1300765491 FPAVMKAQJZRODX-UHFFFAOYSA-N 475.622 2.364 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1nc(C)c(C)s1 1301403966 NSTYLQUEMYNBBM-QGZVFWFLSA-N 466.633 2.105 30 10 JEEE C=CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2[C@H](C1)[C@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1301445294 DKFHJLUPOSSGJY-GUDVDZBRSA-N 484.582 2.129 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1301490769 ZLSNQTVNIVHNMR-NRFANRHFSA-N 452.603 2.358 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCN(C(=O)OC)CC1 1301515346 SLXZPAHHFXAMBN-UHFFFAOYSA-N 470.574 2.345 30 10 JEEE CCc1ccccc1OCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCC(=O)NC 1305984805 BPYOUHVHFGRDKL-UHFFFAOYSA-N 474.569 2.149 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1nnc2n1CCCCC2 1358890108 KZWZNXXQCYWPDT-MSOLQXFVSA-N 484.605 2.411 30 10 JEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 1358930441 VTOWFTXSKMXWGP-IAGOWNOFSA-N 451.593 2.039 30 10 JEEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCOCC1CCOCC1 1358949314 YJLBVUCLASNGJD-UHFFFAOYSA-N 453.591 2.355 30 10 JEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1Cc1ccc(N2CCC(CO)CC2)cc1 1358997450 SYSAVGXLKUZYAV-UHFFFAOYSA-N 474.609 2.120 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2Cl)n1CCN1CCCS1(=O)=O 1359020873 STKWFBFYLHYGNB-UHFFFAOYSA-N 472.398 2.373 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2)nnc1N(C)CC(=O)N1CCOCC1 1359094430 AYEWVAWEESTEQM-KNQAVFIVSA-N 455.559 2.230 30 10 JEEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1359183816 VHHLKVIMAAVUTN-GBESFXJTSA-N 468.668 2.038 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1359292434 PBHRCSWPVIQESA-WDSOQIARSA-N 455.515 2.451 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@]2(CC=CCC2)C1 1359333024 MMKFJFWSGUBPHG-RXVVDRJESA-N 468.645 2.108 30 10 JEEE CC(=O)N1CCN(Cc2cccc(NC(=O)C3CCN(c4oc(C)nc4C#N)CC3)c2)CC1 1459067011 DHIGXDMZKGROKB-UHFFFAOYSA-N 450.543 2.374 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@@H](CN(CC)CC(F)(F)F)C2)s1 1465696316 CNHNPVNVLDWLTC-AWEZNQCLSA-N 453.552 2.488 30 10 JEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1Cc1cccnc1OC)[C@@H]1CCS(=O)(=O)C1 1507633721 GNDPLYYNVBJYRV-OAQYLSRUSA-N 495.605 2.151 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1CC1(O)CCN(C(C)C)CC1 1507667176 JUGFMULNBFAQSB-UHFFFAOYSA-N 473.581 2.292 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCO[C@H]2C(C)C)CC1 1507739949 HEHQUTZSUBBBJZ-KNQAVFIVSA-N 498.653 2.297 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CCC2CCN(CC)CC2)CC1 1507740577 VHFQZSFUFIBNML-UHFFFAOYSA-N 463.630 2.352 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1507803543 HSIVPCYOUQDQSL-DENIHFKCSA-N 477.606 2.461 30 10 JEEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cccc(OCC(N)=O)c1 1507983017 XZAGEFKHIJUMHK-LJQANCHMSA-N 486.573 2.121 30 10 JEEE C=CCNC(=O)Cn1c(N2CCO[C@H](c3ccccc3F)C2)nnc1[C@]1(OC(C)C)CCOC1 1508099156 VDIIWHMTCLSIAN-RDPSFJRHSA-N 473.549 2.338 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ccc(C=C)cc2)C1 1508121994 BPAUSLJPCHBRLX-FCHUYYIVSA-N 487.626 2.278 30 10 JEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 1508161944 OIUKRKZURWWWOG-SFHVURJKSA-N 491.687 2.339 30 10 JEEE CC(C)c1nc(CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@H](C)C#N)cs1 1508423246 FWPVOSMUCSWYEN-NVXWUHKLSA-N 481.648 2.029 30 10 JEEE CCCN1CCC(N(C)c2nnc(-c3cccc(C#N)c3)n2CCN2CCN(C(C)=O)CC2)CC1 1514902099 GAALPEYVEGOUCN-UHFFFAOYSA-N 478.645 2.291 30 10 JEEE COc1cc(Cl)ccc1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](C#N)C1 1518019697 AQRMRUZYIOGPFD-MRXNPFEDSA-N 453.890 2.364 30 10 JEEE COc1ccncc1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1518547366 FQBOQLSYAVUDPK-HXUWFJFHSA-N 482.566 2.194 30 10 JEEE C#CC[C@@]1(C(=O)NCCN(C)S(=O)(=O)c2cccs2)CCCN1C(=O)OC(C)(C)C 1536160887 VLKSUDBKSYGUAU-FQEVSTJZSA-N 455.602 2.278 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCCO3)n2C[C@]2(O)CCO[C@@H]2C)c1 1539042172 COMCDBWQTNGALX-VWQFJMCTSA-N 453.543 2.116 30 10 JEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 1539052668 IESUVZDXOAKPNZ-LPHOPBHVSA-N 491.593 2.231 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1Cc1ccn(C)n1)[C@@H]1CCS(=O)(=O)C1 1539213395 ZFEUHCKJISUUAZ-QGZVFWFLSA-N 474.974 2.016 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CCCN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1539231750 XQECYWVEEOPFNK-NRFANRHFSA-N 489.617 2.499 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC(C)(C)N1CCOCC1 1539283854 BQTAHPNTZRDQNM-BGYRXZFFSA-N 470.618 2.232 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@]1(O)CCC[C@@H]1C 1539304949 KARBSNKYHVLEDX-YADARESESA-N 469.611 2.209 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCC(C)(C)O)CC1 1539447976 ZVUKLETVLQSOBH-LJQANCHMSA-N 460.623 2.309 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2CCn2cc([C@H]3CCOC3)cn2)CC1 1539468292 CNQMUGJFXKTNHY-ICSRJNTNSA-N 453.591 2.158 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2CCNC(=O)c2cccc(OC)c2)CC1 1539480880 FRUUSVSNCVZTAK-UHFFFAOYSA-N 478.597 2.340 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1539484423 OPYUQEZGVJRVEI-QHCPKHFHSA-N 476.625 2.288 30 10 JEEE C=C(Br)Cn1c(Cc2ccsc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1539603031 ICEHVUUFOWDFEG-UHFFFAOYSA-N 453.410 2.049 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(F)F)CC1 1539644732 ILOGKTIUQJDHOD-BWPNAZKDSA-N 455.550 2.370 30 10 JEEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1539714361 CZUSWOZCKZBOHA-QGZVFWFLSA-N 457.604 2.428 30 10 JEEE C=C(C)Cn1c(COc2ccc(OC)cc2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1539717518 DMMWABMDPTXMSX-NRFANRHFSA-N 491.614 2.073 30 10 JEEE C=C(C)COCCn1c(C)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)C2(CCS(=O)(=O)CC2)C1 1539728743 DASVSJLHDYFKDL-GOSISDBHSA-N 483.635 2.088 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1540186957 JLROURZLEXKQJK-RBUKOAKNSA-N 463.604 2.282 30 10 JEEE C=CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CC(C)(C)N1CCOCC1 1540198227 FFANBQPLBSZTDU-UHFFFAOYSA-N 467.574 2.344 30 10 JEEE C=C(CN(C)C)C(=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2Cl)CC1 1540342840 OWEFRSZQVIYATB-UHFFFAOYSA-N 450.786 2.053 30 10 JEEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN(c2oc(C3CC3)nc2C#N)CC1 1540871982 YZUWYURRYHTEQT-UHFFFAOYSA-N 452.563 2.233 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ncnn2C(C)(C)C)C1 1540882825 OTFOCMYVDJDTAK-MRXNPFEDSA-N 451.535 2.102 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CCN(CC)[C@H](C)C1 1540908966 SUHXMDXDRYYYTH-QGZVFWFLSA-N 451.568 2.127 30 10 JEEE CC(C)Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCNC(=O)c1cccs1 1541472240 COIYCAPYUUPEOD-KRWDZBQOSA-N 479.614 2.345 30 10 JEEE CC(C)N1CCC[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@](C)(C#N)C2)C1 1541934693 CKUOUEYIMBWEPQ-WFXMLNOXSA-N 451.641 2.139 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@](C)(O)c1ccccc1Cl 1545928423 ABTLZTIKUDSEHC-AOMKIAJQSA-N 460.966 2.486 30 10 JEEE CCS(=O)(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1548307663 CZDZHIOKSRSUHM-RTBURBONSA-N 474.631 2.187 30 10 JEEE CS(=O)(=O)c1ccc2c(c1)N(CC(=O)N1CCN([C@H](C#N)c3cccs3)CC1)CCC2 1559643479 AFUOPRGWLHNXMX-HXUWFJFHSA-N 458.609 2.313 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CC(F)(F)CO1 1587567628 IEIDRTIHAOCQKT-HIFRSBDPSA-N 452.531 2.429 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCc1ccc(C)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1588073577 AGDXFIRAVABRCT-VQTJNVASSA-N 458.584 2.316 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCN(C)CCOC 1588133336 DMVKMIABUUSGOB-HXUWFJFHSA-N 458.607 2.044 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1CN(C(=O)OC(C)(C)C)C1 1588200224 ICUPTDWOOJRFMX-UHFFFAOYSA-N 487.568 2.251 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@](C)(O)c2cccs2)CC1 1588961885 PUGMUQJIIBFPRA-DEOSSOPVSA-N 481.626 2.075 30 10 JEEE C#CCSCCn1c(-c2ccccc2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1589037334 XWWQEFHCQFDBDR-SIKLNZKXSA-N 452.628 2.300 30 10 JEEE C#CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@@H](COC)C1 1589053614 RFHAIYMODVRQDQ-QGZVFWFLSA-N 462.645 2.467 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCN(c3ccc(C(N)=O)cn3)CC2)nnc1C(C)(C)C 1589578061 FLUSVYHCFNSTEX-ICSRJNTNSA-N 453.591 2.377 30 10 JEEE C=CC1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1594430227 KKQRCNVGZFZCHH-QHCPKHFHSA-N 460.600 2.426 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(C)Cc3ccccc3C2)C1 1595674455 PUORCXGUOXNZMA-YLJYHZDGSA-N 459.616 2.475 30 10 JEEE CC(=O)N(C)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCO[C@H]2CCOC2)CC1 1595929215 WUCWLBMWPYDQLB-QFIPXVFZSA-N 452.559 2.459 30 10 JEEE CCCN1CCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](OC)[C@H](OC)C1 1614894113 GSPROPWJXIRMNW-ILWGZMRPSA-N 454.575 2.453 30 10 JEEE COCCN1C[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2C[C@@H](C)[C@H](C)C2)CC1=O 1619930551 BTADETBZBXWLMJ-QWFCFKBJSA-N 452.559 2.316 30 10 JEEE CCN(CC)S(=O)(=O)c1ccc(CNC(=O)N2CCN(c3ccc(C#N)nc3)CC2)cc1 1628783125 BZQSLZIPWIXYJG-UHFFFAOYSA-N 456.572 2.016 30 10 JEEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N[C@H]2C[C@H](O)[C@H](O)C2)c1 1645867447 VCAYKOYGAUOLLF-IRTIRVBGSA-N 450.944 2.335 30 10 JEEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CC(CO)(CO)C2)c1 1651649393 AZKPNQLWCOOHMM-UHFFFAOYSA-N 450.944 2.148 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1CCCNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1689979849 IGJJAAMCLVOYPZ-SJORKVTESA-N 453.609 2.333 30 10 JEEE C#CCN(c1nnc(-c2cccc(Br)c2)n1C[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1689981825 BXEJNVGXZXNWOX-QAPCUYQASA-N 479.400 2.371 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C/C=C/c1ccccc1)[C@H]1CCS(=O)(=O)C1 1689998290 IDROLVLXXXZNKY-LMIVLXTASA-N 470.595 2.342 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(S(C)(=O)=O)CCCC1 1690037501 XBUKNYVDUKOMDM-UHFFFAOYSA-N 488.635 2.169 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2noc3c2COCC3)n1CCC(=O)N(C)C 1690089830 NUPOQKYHKUFEIR-UHFFFAOYSA-N 452.490 2.263 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC2(C(N)=O)CCCC2)CC1 1690114708 DXYBPILTNTXWSB-UHFFFAOYSA-N 458.513 2.347 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@@H](C)CN2CCCCC2)CC1 1690148888 YVUAQGNWHIXFBO-NRFANRHFSA-N 463.630 2.352 30 10 JEEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCCN(C(C)=O)CC1 1690159471 BPHDBRLTYNNOFX-UHFFFAOYSA-N 451.394 2.461 30 10 JEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1690470795 LKNMQZHDSGMBLH-LBPRGKRZSA-N 459.498 2.226 30 10 JEEE CCCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1695204878 DNKSCSAMWNUTIM-UHFFFAOYSA-N 487.612 2.369 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1CC(=C)Br)[C@H]1CCS(=O)(=O)C1 1705563315 VBAGBBHHDMOVDL-INIZCTEOSA-N 493.383 2.252 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H](C)Oc1ccccc1OC)[C@@H]1CCS(=O)(=O)C1 1705563652 BPOJNEXDCXXKJQ-RTBURBONSA-N 483.594 2.386 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CC1(OC)CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1705570828 RUBBSDNXXYEOOP-MMPATGFWSA-N 471.627 2.486 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1CC1(NC(=O)OC(C)(C)C)COC1 1705575503 MHSBZTZONQJXGT-UHFFFAOYSA-N 489.374 2.402 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1Cc1cccc(C(N)=O)c1 1705622369 GRJUIXVTFYRWBV-UHFFFAOYSA-N 471.359 2.279 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1CCC(=O)NC(C)(C)C 1705622551 LLXDFHCKQDQARC-UHFFFAOYSA-N 465.396 2.437 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CCc2nccc(C(F)(F)F)n2)CC1 1705640730 CHPAXEQHFVMJDB-UHFFFAOYSA-N 456.476 2.071 30 10 JEEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CCOC)CCOC 1705754729 FAKNHAPLFXDCHJ-INIZCTEOSA-N 459.975 2.438 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(F)c(COC)c2)CC1 1705769018 GQQWPASHJBMHRY-HXUWFJFHSA-N 479.578 2.101 30 10 JEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(COC)CCCCC1)C1CC1 1705853403 AAFAWRHCTUCUQG-LJQANCHMSA-N 467.636 2.363 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC(=O)N(C)C 1705858214 SFQKRXLPXRMMGL-XMMPIXPASA-N 452.559 2.471 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N(CC)Cc1ccc2c(c1)OCO2 1705932418 TVOWUMSHLUWAMM-UHFFFAOYSA-N 456.528 2.091 30 10 JEEE C=CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@](C)(C(=O)NC)C1 1705942727 BLKYZNUIZWEUIL-NRFANRHFSA-N 477.660 2.120 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nc2cc(Cl)ccc2s1 1722295198 JNVDNZOYUNCTCP-XJKSGUPXSA-N 495.030 2.380 30 10 JEEE C#CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1722309051 URAWXLALXKXOED-FQEVSTJZSA-N 472.977 2.006 30 10 JEEE C#CCCCn1c([C@@H]2CCCCO2)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1722333805 OHOFNJHKOQLFSW-YRXWBPOGSA-N 493.630 2.060 30 10 JEEE C#CCCCn1c(N2CCCN(c3nccc(OCC)n3)CC2)nnc1[C@]1(OCC)CCOC1 1722341042 QJRFRZMZFUALMV-DEOSSOPVSA-N 469.590 2.249 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1ccnc(SCC)c1)[C@@H]1CCS(=O)(=O)C1 1722365557 FOOUDVCGBNULEJ-RBUKOAKNSA-N 475.640 2.354 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1Cc1ncccc1N(C)C)[C@@H]1CCS(=O)(=O)C1 1722367669 WZTIPARFZAUGPA-HXUWFJFHSA-N 494.621 2.014 30 10 JEEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1C[C@@H]1CCC[C@@H]1OC)[C@H]1CCS(=O)(=O)C1 1722370794 QPAVOQVOGHRUPB-IPJJNNNSSA-N 488.610 2.308 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCCc2ccccc2F)CC1 1722441419 PXJYRBMSOLQSAD-UHFFFAOYSA-N 466.561 2.252 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCCc2cnn(C)c2)CC1 1722442455 XLBBOUJLXRCOAW-NRFANRHFSA-N 482.633 2.472 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1722483929 SEIBROGMHAIGLA-HRCADAONSA-N 456.385 2.058 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CCO[C@H](C(F)(F)F)C1 1722729276 HWXCFNIPCNJMHJ-KRWDZBQOSA-N 474.505 2.246 30 10 JEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](c2nc(C)no2)C1 1722739869 YERVIOURAWXKGL-JKSUJKDBSA-N 452.606 2.175 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Br)cc2)nnc1N1CCO[C@@H](C#N)C1 1722749174 FYFXTUOYOUMFBS-INIZCTEOSA-N 466.361 2.037 30 10 JEEE CC(C)[C@](C)(O)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1723096637 CIDBMDVHCZLMAB-HYBUGGRVSA-N 452.559 2.371 30 10 JEEE CC(C)CCN(CCC#N)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@]1(O)CCO[C@@H]1C 1723419109 CAAGQIWWUDSVKD-IQGLISFBSA-N 479.585 2.498 30 10 JEEE Cc1nn(C)c(N2CCN(c3nnc(C(=O)NC(C)C)n3CCCc3ccccc3)CC2)c1C#N 1725861472 HSBCGSULBPQZQP-UHFFFAOYSA-N 475.601 2.289 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CC[C@@H](OC)C(F)(F)F)c1 1740561478 GBFAVJWGNPNVCF-QGZVFWFLSA-N 480.491 2.440 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@@H]1CCO[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1740619414 OFECONNRRUFJQH-QWFCFKBJSA-N 458.584 2.396 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCCc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1740621325 LREAGEAEHYKGIS-LJQANCHMSA-N 456.547 2.077 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1740629249 HBXFECKSXILQGZ-JBACZVJFSA-N 476.574 2.011 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCC(=O)N[C@H](C)CC 1740653838 ZNDGHFOFBGTKTD-LJQANCHMSA-N 473.581 2.443 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccccc2OCC)CC1 1740701251 ZODQGWWFMQMGCJ-UHFFFAOYSA-N 487.564 2.338 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1740704828 YSRCVSJLYBAKTJ-NRFANRHFSA-N 473.581 2.041 30 10 JEEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1C[C@@H](C(=O)OC)[C@H](CNC(=O)OC(C)(C)C)C1 1740722115 AADLRPIKBZXUCR-KZNAEPCWSA-N 493.630 2.246 30 10 JEEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccc1Cl 1740795399 UMGMBTAVOJUNJX-IBGZPJMESA-N 484.022 2.494 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@@H]1COCCO1 1740923757 UUEFNSZGSFMSRN-IAGOWNOFSA-N 452.602 2.240 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC(NC(=O)c2ccsc2)CC1 1740989402 LZFHLUFNYVJAGF-UHFFFAOYSA-N 486.623 2.401 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1Nc1cnn([C@H]2CC2(F)F)c1 1740995016 XLFAPDKABMGWBL-INIZCTEOSA-N 466.518 2.261 30 10 JEEE C=CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1740997314 YICWJVKZBSLHTK-FUHWJXTLSA-N 475.018 2.496 30 10 JEEE CC[C@H](C)NC(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1743893499 AIOCUZNGGOTLJM-SIKLNZKXSA-N 492.628 2.118 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccnc(OCC2CC2)c1)[C@H]1CCS(=O)(=O)C1 1748802198 NFUKGQJLPLNGFX-IBGZPJMESA-N 457.600 2.434 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H](CC)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1748803474 ZFNBDWWQEKPLMZ-QUCCMNQESA-N 457.600 2.237 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1CCc1ccn(C)n1)[C@H]1CCS(=O)(=O)C1 1748808986 OXPZAAYGBAGSIX-SFHVURJKSA-N 490.536 2.149 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1ccccc1OCCOC)[C@@H]1CCS(=O)(=O)C1 1748814942 LXTNCUMVUCVPQN-OAQYLSRUSA-N 495.605 2.349 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1C[C@H](c1ccc(C)o1)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1748818344 YYIXSSHDEZVTIN-NHCUHLMSSA-N 489.642 2.078 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H](C)Oc1ccccc1)[C@H]1CCS(=O)(=O)C1 1748818548 CHRIGPLXDZFGIY-CTNGQTDRSA-N 465.579 2.358 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(C)s1)[C@@H]1CCS(=O)(=O)C1 1748823812 BVCAZSXKDSLJJP-SCTDSRPQSA-N 464.613 2.047 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1OC(F)F 1748864532 YTRSBHDHTZPWAY-HNNXBMFYSA-N 451.499 2.001 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2CCCCS2)CC1 1748979510 CMXAVBSEKIPKOP-LJQANCHMSA-N 459.641 2.390 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCc2csc(C)n2)CC1 1748980117 ZXGXJSRFMZWQBB-UHFFFAOYSA-N 470.624 2.111 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2CC[C@@H](C(F)F)N2CCOCC2)CC1 1748993380 WSZLZSQBXVLFNS-NRFANRHFSA-N 476.547 2.119 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC2CCOCC2)CC1 1749001591 XOGPORICMOYBEM-UHFFFAOYSA-N 499.015 2.254 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1CC1CCS(=O)(=O)CC1 1749532556 UEEANNRVOFHDKC-HXUWFJFHSA-N 468.583 2.118 30 10 JEEE COCC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1749601701 AYOVCBYVNYZMHG-UWJYYQICSA-N 480.491 2.109 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCO[C@@H]1CCOC1 1760117486 PIYKURLCRKQXDK-OTWHNJEPSA-N 463.579 2.240 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(C)cc1F)[C@@H]1CCS(=O)(=O)C1 1760180515 GPSATKPQWCNKJC-XXBNENTESA-N 476.574 2.053 30 10 JEEE C#CCN(c1nnc(CC2CCCC2)n1CCS(=O)(=O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1760191525 IXHUXQBYQCFSFT-HXUWFJFHSA-N 490.651 2.111 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1CC1(S(C)(=O)=O)CCCC1 1760201877 LSHIWBHOJVZFCK-UHFFFAOYSA-N 464.551 2.024 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC[C@H]1CCO[C@H](C)C1 1760246463 YNSOCKIOFKPQBR-MOPGFXCFSA-N 450.547 2.212 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](c2cccnc2)C(C)C)CC1 1760269025 VWWJVSOYEVINHM-JOCHJYFZSA-N 460.586 2.479 30 10 JEEE C=C(C)Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1760348193 XQLORQBEDXULRD-HXUWFJFHSA-N 479.578 2.203 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(-n2cccn2)cc1 1760504758 AYBLKVNDJJIXKQ-IBGZPJMESA-N 456.572 2.053 30 10 JEEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1760506100 GUSRUANLEVHJQW-QGZVFWFLSA-N 474.009 2.084 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1760526648 QWSLYDWKGFSLQB-VWLOTQADSA-N 466.586 2.450 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCC(Nc3cc(OCC)ncn3)CC2)nnc1C(C)(C)C 1760558436 OSFJJVKCUIZXAN-UHFFFAOYSA-N 477.635 2.446 30 10 JEEE Cc1nc(N2CCCN(S(=O)(=O)c3ccccc3C#N)CC2)nc(O)c1Cc1cccnc1 1858586179 SKCUCNPGPMFODD-UHFFFAOYSA-N 464.551 2.249 30 10 JEEE N#Cc1ccccc1NC(=O)CCc1nnc(=NC(=O)c2ccc(Br)cc2)[nH]c1O 1860920054 TWBPXAUQNYKKOG-UHFFFAOYSA-N 467.283 2.457 30 10 JEEE O=C(C1=C(O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccc(O)cc1)c1cccc([N+](=O)[O-])c1 1862735222 GDCOLBSFCQYRSQ-FQEVSTJZSA-N 453.451 2.211 30 10 JEEE Cc1cc(C(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(C#N)cc2)cc(S(N)(=O)=O)c1 1867235315 PYWFCCPFHUCUHF-JOCHJYFZSA-N 462.531 2.494 30 10 JEEE C=CCN(CC=C)c1nc(NC(=O)COc2ccc(C)c(C)c2)n([C@@H]2CCS(=O)(=O)C2)n1 1870004914 PJWLAORVRYYEOG-GOSISDBHSA-N 459.572 2.450 30 10 JEEE CN1CCN(c2ccc(-n3nnc(C#N)c3NC(=O)C3(c4ccc5c(c4)OCO5)CC3)cc2)CC1 1870158010 MMHAGQONUFXRAZ-UHFFFAOYSA-N 471.521 2.290 30 10 JEEE CN(C)[C@@H](Cn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CN1CC(O)C1)c1ccc(O)cc1 1870350784 WEWADSCDHOQIJN-VWLOTQADSA-N 474.561 2.484 30 10 JEEE C=CCn1cc(OCC(=O)Nc2ccc(F)cc2)c(=O)cc1CNc1ccc(S(N)(=O)=O)cc1 1871176927 RWRQGFMMXBXRTA-UHFFFAOYSA-N 486.525 2.450 30 10 JEEE CC(C)N1C[C@@H](c2nnc(SCC(N)=O)n2/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)CC1=O 1874337183 GEPCPAUBXRXTQV-JZLQKHEKSA-N 465.923 2.024 30 10 JEEE CC(=O)c1ccc(S(=O)(=O)N2CCC(OCC#CCN3CCN(C(C)C)CC3)CC2)cc1 1890510653 DUQGGQHLQLQKAJ-UHFFFAOYSA-N 461.628 2.088 30 10 JEEE N#Cc1cccnc1OCC1CCN(C(=O)CNS(=O)(=O)c2ccc(Br)cc2)CC1 1892035112 QHUVJDFRNWXSJW-UHFFFAOYSA-N 493.383 2.312 30 10 JEEE CC(=O)Nc1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)N2CCN(c3cccc(C#N)c3)CC2)cc1 1892344547 OTNHCXVXZZZMCB-DEOSSOPVSA-N 495.605 2.409 30 10 JEEE Cc1cc(S(=O)(=O)N2CC(NC(=O)OC(C)(C)C)C2)sc1B1OC(C)(C)C(C)(C)O1 2247952780 QAULLRYOCMJTRS-UHFFFAOYSA-N 458.411 2.253 30 10 JEEE CCN(CCN(C)C(=O)c1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C)C(=O)OC(C)(C)C 2266996958 KFEDKYTXZXLWKD-UHFFFAOYSA-N 450.389 2.357 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1COC[C@@H]1NC(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1F 2267403238 KLLFBXJFBTUQDD-HOTGVXAUSA-N 450.316 2.147 30 10 JEEE CC(C)(C)OC(=O)NCCO[C@H]1CCN(C(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)C1 2267487022 QLDIXUALELMBOO-AWEZNQCLSA-N 467.397 2.198 30 10 JEEE CC(C)(C)OC(=O)N1[C@H](C2CC2)CC[C@@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2268643852 LZKHDKCXBSERDJ-UONOGXRCSA-N 464.397 2.376 30 10 JEEE COC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2sc(B3OC(C)(C)C(C)(C)O3)cc2C1 2268649803 KWTVKAUGSIRAPM-HNNXBMFYSA-N 466.409 2.472 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@]2(C[C@@H](NC(=O)c3occc3B3OC(C)(C)C(C)(C)O3)CO2)C1 2282055051 YWRKDGYGZMLHJY-CMJOXMDJSA-N 462.352 2.477 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H](NS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282302452 MPWJDXZXRWDCHJ-NVXWUHKLSA-N 481.424 2.353 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2F)CCO1 2282324421 OXMHEFKPFCBKKB-HNNXBMFYSA-N 486.371 2.344 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)c(F)c2)[C@@H](CO)C1 2282463749 DSNNQTYOIYJCHB-MRXNPFEDSA-N 464.343 2.179 30 10 JEEE C[C@@H]1C[C@@H](NS(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CCN1Cc1ccccc1 2282495345 LCEDJOMRJCYSAR-MJGOQNOKSA-N 474.436 2.051 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@@](C)(CNC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2282521484 ZMYBUGXHSLRSAA-QFIPXVFZSA-N 481.424 2.446 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@]12CCC[C@@H]1CN(C(=O)OC(C)(C)C)C2 2282540869 PUIOJLRRGAQAMO-CMJOXMDJSA-N 460.384 2.239 30 10 JEEE Cc1c(C(=O)N[C@H]2C[C@H]3C[C@H]2CN3C(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282555459 TWKPAAOIROHOFT-XHSDSOJGSA-N 460.384 2.155 30 10 JEEE Cn1cc(C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)CC23CC3)c(B2OC(C)(C)C(C)(C)O2)n1 2282590134 XOIKKOBVVDOBNU-OAHLLOKOSA-N 460.384 2.381 30 10 JEEE COc1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2C[C@@H]2NC(=O)OC(C)(C)C)cc1OC 2282590557 CQHKBZCGQIGFRR-CVEARBPZSA-N 462.352 2.398 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(F)c(C(=O)NCC2(NC(=O)OC(C)(C)C)COC2)c1 2282602593 VEVQEFRSUPKBSA-UHFFFAOYSA-N 464.343 2.457 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@@H](NC(=O)c3cccc(B4OC(C)(C)C(C)(C)O4)c3)[C@H]2C1 2282673755 AMXNCWJXKQQZMB-QRVBRYPASA-N 458.364 2.350 30 10 JEEE Cn1cc([C@H](NC(=O)OC(C)(C)C)C(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)cn1 2283966574 XMORBIAPNPCDQH-KRWDZBQOSA-N 457.340 2.319 30 10 JEEE CC(C)(C)OC(=O)N1CCN2CCOC[C@@]2(CNC(=O)C2(B3OC(C)(C)C(C)(C)O3)CC2)C1 2288167382 OIIITOCHOMDQTJ-JOCHJYFZSA-N 465.400 2.051 30 10 JEEE CC(C)(C)OC(=O)NC[C@@]12C[C@@H]1CN(S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1)C2 2288267470 LJJLCQHOXIUGAL-SPLOXXLWSA-N 499.464 2.119 30 10 JEEE C=CCOc1ccccc1OCc1nnc(SCC(N)=O)n1N=Cc1ccc(O)c([N+](=O)[O-])c1 2326442796 TVOHLBASPBBXIC-UHFFFAOYSA-N 484.494 2.495 30 10 JEEE COc1nc(N(CCNC(=O)OC(C)(C)C)C[C@@H](C)O)ccc1B1OC(C)(C)C(C)(C)O1 2339785141 OVRWIJKYXBTQJW-OAHLLOKOSA-N 451.373 2.101 30 10 JEEE Cc1nn(C)c(C(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)c1B1OC(C)(C)C(C)(C)O1 2359267794 CWCBGRZBLPRIRW-BZUAXINKSA-N 460.384 2.155 30 10 JEEE N#CCCN1CCN(c2ccc(NS(=O)(=O)c3cc(F)ccc3F)cc2C(=O)O)CC1 32961687 ZPMFBGXICSADDN-UHFFFAOYSA-N 450.467 2.499 30 10 JEEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(S(=O)(=O)NCC(C)C)cc2)cc1 47157299 FUSIKXZNONWXFF-UHFFFAOYSA-N 451.570 2.338 30 10 JEEE C/C(CC(C)C)=N\Nc1nc(SCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)n[nH]1 59892398 KDDOPXDGTLQNQL-HZHRSRAPSA-N 495.631 2.390 30 10 JEEE N#C[C@@H]1C(=O)Nc2nc(N3CCC4(CC3)OCCO4)[nH]c(=O)c2[C@@H]1c1ccc(Br)cc1 72444373 AHPHEDIGLJJPRR-LSDHHAIUSA-N 486.326 2.099 30 10 JEEE CCOC(=O)[C@@H]1CCCN(c2nc(O)c3c(n2)NC(=O)[C@@H](C#N)[C@@H]3c2ccc(OC)cc2)C1 256032437 DUUXCMQXPBAGDN-PVAVHDDUSA-N 451.483 2.194 30 10 JEEE C#CC[C@H](COC)NC(=O)c1cc(I)cc(I)c1O 716871144 ZGDFZOCBRWZFTK-SECBINFHSA-N 485.059 2.370 30 10 JEEE CC#CC[C@H](NC(=O)C[C@@H](O)CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 757211615 NSRCKMDAYVESOM-ZHRRBRCNSA-N 450.491 2.259 30 10 JEEE Cc1nn(C)c(N2CCN(C(=O)c3cc(S(=O)(=O)C4CCCC4)ccc3F)CC2)c1C#N 1138262413 GGOSLEONFCILIB-UHFFFAOYSA-N 459.547 2.418 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)(C)C)n2C[C@@H]2CC(=O)N(CCOC)C2)c1 1286312309 WMAYBVJTSIFNSN-HXUWFJFHSA-N 480.613 2.418 30 10 JEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1 1286349974 ROHOXWQPWIOIJQ-GOSISDBHSA-N 476.002 2.209 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1286385057 LERZVTHYCWBDEY-HOIFWPIMSA-N 464.563 2.345 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1CCNc1ncc(Cl)cc1Cl)[C@@H]1CCS(=O)(=O)C1 1286391346 DWNGHELYCCGPCM-GOEBONIOSA-N 499.424 2.223 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1286433194 NEHHTQKCKCKUSI-SFLYRZDNSA-N 478.597 2.133 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2CC2(N(C)C)CCOCC2)CC1 1286484648 MVMIHVIOBPUQIP-UHFFFAOYSA-N 452.603 2.032 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2Cc2nncn2C)CC1 1286494064 ZANAJUHAWPCRAN-UHFFFAOYSA-N 490.612 2.432 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(c2nc(C)ns2)CC1 1286537502 DOJGPYYEWQNUMV-ZDUSSCGKSA-N 467.397 2.014 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC2CCCC2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1286563104 IPBJAQYORXMWLC-IFMALSPDSA-N 472.634 2.165 30 10 JEEE C=C(C)COCCn1c(Cc2ccccc2F)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1286609584 NAZUVQGABHSBAC-UHFFFAOYSA-N 479.560 2.421 30 10 JEEE C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(Nc2cccnn2)CC1)c1ccccc1 1286614682 ANNHVLZDYCEBNA-SFHVURJKSA-N 482.614 2.473 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC(S(C)(=O)=O)CC1 1286780185 QROIPPHBIXGWAW-UHFFFAOYSA-N 468.583 2.117 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1286789954 AQKBBQLPFISDCG-XOKHGSTOSA-N 467.448 2.249 30 10 JEEE CC1CCN(CCCn2c(-c3ccc(C#N)cc3)nnc2N(C)CC(=O)N2CCOCC2)CC1 1291181325 DWXSGXWPHJTNQW-UHFFFAOYSA-N 465.602 2.234 30 10 JEEE C=CCOC[C@@H](NC(=O)CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)C(=O)OC 1297030013 QWSPUCMRSGJSKG-YLQKULKDSA-N 452.529 2.277 30 10 JEEE C#CCCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCO[C@@H](COC)C1 1300341159 DKWWOXQLPSZDID-GOSISDBHSA-N 460.604 2.202 30 10 JEEE C#CCN(CC#CC)c1nnc(C2(c3ccccc3)CCC2)n1CCN1CCCS1(=O)=O 1300558880 FMWFOAFZBFKJLG-UHFFFAOYSA-N 451.596 2.247 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCSC(C)C)CC1 1300699894 JFGWFOAJCZQNML-IBGZPJMESA-N 478.663 2.483 30 10 JEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 1300756245 JMTSUGSYVZRPMF-ROUUACIJSA-N 471.562 2.135 30 10 JEEE C=C(Br)Cn1c(COc2ccc(OC)cc2)nnc1N1CCC(C(N)=O)CC1 1300857347 BBRBXXODQNPTPX-UHFFFAOYSA-N 450.337 2.476 30 10 JEEE C=C(C)Cn1c(CCCc2ccccc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1300960822 NPKUFBSGPSXPCO-UHFFFAOYSA-N 450.587 2.301 30 10 JEEE C=CCCOCCn1c(-c2ccccn2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1301245921 JWHQIYMAZKUWBY-UHFFFAOYSA-N 453.591 2.067 30 10 JEEE C=CCCOCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@H](NC(=O)OCC)C1 1301253213 WSLUMAUWZUXXCF-SFHVURJKSA-N 495.584 2.500 30 10 JEEE C=CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1301451803 AMXDMELOOUVVTD-IRXDYDNUSA-N 473.578 2.051 30 10 JEEE CC(C)NS(=O)(=O)CCn1c(Cn2ccc3ccccc32)nnc1N1CC[C@](F)(C#N)C1 1303473704 FMTIXSILBFXBDL-NRFANRHFSA-N 459.551 2.051 30 10 JEEE CC(C)(C)Oc1cccc(CNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1 1312425135 HDXBPXLYPSOLIO-UHFFFAOYSA-N 457.556 2.347 30 10 JEEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2CCN(CCN(C)C)CC2)C[C@@H](C)O1 1315930404 HKQPIUJARKUPBQ-YKSBVNFPSA-N 481.645 2.330 30 10 JEEE N#CC1CCN(c2nnc(CNC(=O)c3cccs3)n2CCS(=O)(=O)c2ccccc2)CC1 1316535234 GYBRVNWWPQBPKU-UHFFFAOYSA-N 484.607 2.483 30 10 JEEE C#CCN(c1nnc(C2CCCC2)n1CC1CN(C(=O)OC(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1358961913 HENHNQVVKXZVAY-LJQANCHMSA-N 477.631 2.429 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cc2c(cc1OC)C[C@H](C)O2 1358968520 OLXGYQVZSCTVJJ-KRWDZBQOSA-N 456.506 2.379 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CCCNC(=O)c1occc1C 1358984376 RYEGGIDUBVTDNQ-UHFFFAOYSA-N 459.510 2.110 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C(CC)CC)no1 1358994790 WNWDZPJNNXSMTP-NRFANRHFSA-N 488.614 2.014 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccccc1CN1CCOCC1 1358999219 KGKMQLFCLWKMTC-DQEYMECFSA-N 477.609 2.346 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(C)C)n1C[C@H](C)N1CCN(CC)CC1 1359015138 JPAUWTAEGOTWAB-FQEVSTJZSA-N 469.609 2.221 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H]2CCCN2CC)CC1 1359029119 OXQOLICBOVJZDG-NRFANRHFSA-N 470.021 2.101 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccnc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1359097285 NFXVHJAJQCKNMW-QUCCMNQESA-N 460.604 2.182 30 10 JEEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)NCC)CC1 1359122300 LACIEGPDMIKVAN-KRWDZBQOSA-N 463.583 2.014 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c(-c2cnccn2)nnc1N1CCN(C(C)=O)C[C@@H]1C)C(C)C 1359265659 JYKMYBBMYJFKCF-UGKGYDQZSA-N 452.607 2.491 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCN2CCCS2(=O)=O)C1 1359313480 MSRYGLDVVFHLJT-ROUUACIJSA-N 479.578 2.374 30 10 JEEE C#CCn1ccc(CN(CCOC)C(=O)C2CN(c3ccc(Br)cc3C#N)C2)n1 1467716803 QYEHWGOTARSLBN-UHFFFAOYSA-N 456.344 2.262 30 10 JEEE CC#CCN(C)C(=O)CCNS(=O)(=O)c1cc(Br)ccc1Br 1468540938 NNCDNTZCYXKAEB-UHFFFAOYSA-N 452.168 2.362 30 10 JEEE CCN(C1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2snnc2C)CC1)S(C)(=O)=O 1501683436 AENOLOBUSOOTQG-UHFFFAOYSA-N 486.627 2.275 30 10 JEEE CCOC(=O)N[C@@H](CC(C)C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1502511909 FJTOQGGLNQHNIM-VQTJNVASSA-N 480.573 2.191 30 10 JEEE Cn1cnc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@@H](OCC(F)(F)F)C2)n1 1503671051 AAZYPEWDYGKVJO-QGZVFWFLSA-N 476.463 2.453 30 10 JEEE Cn1cnnc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 1503671398 DMGKXRJVVCUHDW-GOSISDBHSA-N 461.574 2.372 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)(C)C)n2Cc2nnnn2CC2CC2)c1 1507550601 MXTNKWCMABAXNX-UHFFFAOYSA-N 461.574 2.368 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1ccc(NC(C)=O)nc1 1507688202 YDNQDHPSHIBZLW-UHFFFAOYSA-N 456.510 2.053 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)c1ccc(OC)cc1 1507711668 XWVDAGKMMIJVPR-SFHVURJKSA-N 460.600 2.253 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)cn3C)n2CCCOCC)CC1 1507735867 IXINYMSSKBMXGX-UHFFFAOYSA-N 477.407 2.439 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CC(=O)Nc2ccc(F)cc2)CC1 1507740726 XQNIVPQOPCQIIO-UHFFFAOYSA-N 475.528 2.008 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2noc3c2COCC3)n1CCS(C)(=O)=O 1507998106 KSKNPLODVYEVIK-UHFFFAOYSA-N 473.555 2.252 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N(CCO)Cc1ccc(Br)s1 1508099436 XHHZWPJLOLDPRW-CQSZACIVSA-N 470.393 2.255 30 10 JEEE C=CCOc1ccccc1Cn1c(N2CC[C@@H](S(C)(=O)=O)C2)nnc1[C@]1(OCC)CCOC1 1508110254 YZFVHTSHUADCRX-XXBNENTESA-N 476.599 2.167 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](C)c2c(C)noc2C)C1 1508110829 UWWXNCSCYYACGO-FRFSOERESA-N 452.581 2.078 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@H](C)N(C)C)C1 1508121745 ABPKSPGAXHCFPR-QRVBRYPASA-N 464.611 2.318 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@H](CNC(C)=O)C1 1508135137 DSOYLXOBSVTSJY-LJQANCHMSA-N 482.610 2.447 30 10 JEEE COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@]2(N(C)C)CCSC2)cc1OC 1518165642 DVHYZMAKXKKCLJ-HTAPYJJXSA-N 458.588 2.128 30 10 JEEE C#CCCCCn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)NCc2ccccc2)CC1 1539084954 GFBHIHQUQPCGGT-JOCHJYFZSA-N 450.587 2.372 30 10 JEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1539102256 VIXRIXSHRBKGAD-GOSISDBHSA-N 490.593 2.139 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1CCOc1ncccc1F)[C@H]1CCS(=O)(=O)C1 1539225479 OCUKMXLTILBMFF-KRWDZBQOSA-N 475.571 2.170 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(NC(=O)N(C)C)cc1 1539396450 OQPBZNQWBVOXMF-UHFFFAOYSA-N 476.541 2.153 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCO[C@H](C)c2ccccc2)CC1 1539451840 BXGKENOZPDADFU-IFMALSPDSA-N 471.627 2.103 30 10 JEEE C#CCSCCn1c(-c2ccc(C)o2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1539499949 SIVSKRZZEJPEFD-UHFFFAOYSA-N 484.626 2.153 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CC)C[C@H]1COc2ccccc2O1 1539517378 MVJIYCNBGMCMDY-MSOLQXFVSA-N 476.624 2.213 30 10 JEEE C=C(C)Cn1c(N2CCN(C(=O)[C@H]3CCCO3)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1539723572 VAEBDTSRPMGQRH-CEXWTWQISA-N 474.606 2.453 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1539751658 ROJPQANHUSUJDI-RBUKOAKNSA-N 451.637 2.084 30 10 JEEE C=CCCOCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1540033393 HABLBBYWXWHOQH-IBGZPJMESA-N 479.585 2.089 30 10 JEEE C=CCN(CC=C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](N1CCOCC1)C(F)(F)F 1540152429 UMMYMLMITJREAW-INIZCTEOSA-N 465.480 2.367 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 1540864234 SUFHLZLNONVVMZ-WBVHZDCISA-N 463.380 2.496 30 10 JEEE C=CCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@@H](C(=O)NCC(F)(F)F)C2)cc1 1540877918 JIEZWAAFXRDCOT-SJLPKXTDSA-N 492.502 2.347 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC(NC(=O)c2ccsc2)CC1 1540902503 LCBUPWCWHLFGEY-KRWDZBQOSA-N 493.655 2.233 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 1540902708 OSYZXXBVPLKIJW-HXUWFJFHSA-N 491.614 2.421 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CC[C@](O)(c2cccc(F)c2)C1 1540905774 ZIZFNXDEDDSUIT-HSZRJFAPSA-N 471.558 2.102 30 10 JEEE CC(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)NC(C)(C)C)C1 1541051468 BBWXFYKGWXCOIR-LJQANCHMSA-N 451.575 2.474 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CC1CC(F)(F)C1 1541942576 GOUJVGLSUQYQGT-CQSZACIVSA-N 497.547 2.271 30 10 JEEE COC(=O)N1CCC(Cn2c(COc3cccc(C)c3)nnc2N2CCO[C@@H](C#N)C2)CC1 1554552328 GHSIBJFEXYATFQ-FQEVSTJZSA-N 454.531 2.373 30 10 JEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCN(c3ccccc3OC)C2=O)cc1 1562197593 PEOHSSKVMKWKLH-GOSISDBHSA-N 458.540 2.429 30 10 JEEE C#CCNC(=O)CN1CCCN(C(=O)c2nn(-c3cccc(Cl)c3F)c3c2CCC3)CC1 1565590010 IXIUHEYBTYSMHY-UHFFFAOYSA-N 457.937 2.051 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccc(OC)nc1OC 1587581283 ZGNTXDRLNLWNEH-OAHLLOKOSA-N 455.540 2.267 30 10 JEEE C#CCN(c1nnc([C@@H](C)CC)n1CCS(=O)(=O)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1588030232 RILKBOPIJOYWRH-ICSRJNTNSA-N 478.640 2.033 30 10 JEEE C#CCN(c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCOC(C)C)[C@H]1CCS(=O)(=O)C1 1588034356 DPAGYKLNDIVESK-IBGZPJMESA-N 468.583 2.387 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CC[C@H](F)C1)[C@@H]1CCS(=O)(=O)C1 1588035898 ZHXRCNDOZCOUTP-MOXWOTFGSA-N 468.595 2.084 30 10 JEEE C#CCN(c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(C)CC1)[C@@H]1CCS(=O)(=O)C1 1588058864 DSTXMBDIYPDOHV-MSOLQXFVSA-N 493.630 2.013 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCCN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1588065306 WMUPXLQENLCLOV-HXUWFJFHSA-N 476.672 2.137 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccn(CC)c1=O 1588550047 GUDPSHDSMXYJAO-FQEVSTJZSA-N 483.569 2.189 30 10 JEEE C=CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1594733667 XBHZQYKJBDYDEM-MSOLQXFVSA-N 498.650 2.071 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1cn[nH]c1 1595100589 RJVUPNBHIPELFZ-HXUWFJFHSA-N 451.556 2.210 30 10 JEEE C=CCn1c(Cc2cccnc2)nnc1N1C[C@@H](C(=O)OC)[C@H](CNC(=O)OC(C)(C)C)C1 1595418689 VXKPPSQQZJUPJB-QZTJIDSGSA-N 456.547 2.200 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2ccc(OC)c(F)c2)C1 1595722906 OTQKMQIXUMCDRX-MSOLQXFVSA-N 464.563 2.352 30 10 JEEE C=CC[C@H](CO)CNC(=O)c1cccc(NC(=O)C[C@@H]2SC(N3CCCCC3)=NC2=O)c1 1631912690 KEZNIXZZGVHLLI-LPHOPBHVSA-N 458.584 2.414 30 10 JEEE C=CCn1c(S)nc2cc(C(=O)N(C)[C@@H](C)c3cccc(S(N)(=O)=O)c3)ccc2c1=O 1632524686 QAJVJLOELNZOQB-ZDUSSCGKSA-N 458.565 2.352 30 10 JEEE C=C(C)CCNC(=O)N1CCN(c2ccc(S(=O)(=O)N(CC)CC)cc2[N+](=O)[O-])CC1 1635427336 UUOPXMUALITTDW-UHFFFAOYSA-N 453.565 2.423 30 10 JEEE CC1CCN(S(=O)(=O)c2ccc(C(=O)N3CCN(c4cnccc4C#N)CC3)cc2)CC1 1637908702 FSTARGVJALJQES-UHFFFAOYSA-N 453.568 2.336 30 10 JEEE C[C@H](CNC(=O)CNS(=O)(=O)c1cccc(C#N)c1)Oc1cccc(Br)c1 1641334585 GLJQALMNWLYLJE-CYBMUJFWSA-N 452.330 2.183 30 10 JEEE C[C@H](NC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)[C@H]1CN(Cc2ccccc2)CCO1 1679559558 CRRSJCCBRANOMW-MJUUVYJYSA-N 457.575 2.334 30 10 JEEE C#C[C@@H](NC(=O)N1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1)c1ccc(F)cc1 1683497347 CUMLVUUUAQQGIZ-HXUWFJFHSA-N 458.515 2.208 30 10 JEEE C#CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCN1CCCS1(=O)=O 1689949131 RDQILONTXUDKAE-UHFFFAOYSA-N 456.597 2.482 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(Br)cc2Cl)n1CCNS(C)(=O)=O 1690037288 SXQMAZXCSBGAOT-UHFFFAOYSA-N 484.807 2.373 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(Oc3ccccc3)nc2)CC1 1690110497 OOPGMQUNVFJGAB-UHFFFAOYSA-N 459.554 2.407 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2(CCOC)CCC2)CC1 1690115099 RSMVSNDOQHKIHK-UHFFFAOYSA-N 471.627 2.311 30 10 JEEE C#CCSCCn1c(COc2ccc(C)cc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1690182872 HTAFCHHZQLACSI-UHFFFAOYSA-N 450.568 2.188 30 10 JEEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2ccccc2CC1 1690219607 HWBGQHQXEPGYQC-CQSZACIVSA-N 454.394 2.402 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)CC(=O)N1CCOCC1 1690241821 XYXLUTQZTSBIEW-XXBNENTESA-N 485.585 2.239 30 10 JEEE C=C(Cl)Cn1c(N2CCN(C(=O)c3ccc(O)cc3)CC2)nnc1[C@]1(OCC)CCOC1 1690358476 BINCJJCXRCBPIO-QFIPXVFZSA-N 461.950 2.351 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(C)c(OC)c2)CC1 1690411244 IOLKRSICFGQZQF-NRFANRHFSA-N 475.615 2.379 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@H](COC)C1 1690721158 ZRZNHPPUGAVUKD-KRWDZBQOSA-N 462.572 2.180 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@H](COCC)C1 1690723685 YHIQSIGKHZBDMK-INIZCTEOSA-N 472.571 2.058 30 10 JEEE C=CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@H](C(=O)NC)C1 1690742257 KZZYGZYBQVRBMT-INIZCTEOSA-N 467.599 2.074 30 10 JEEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(OCC(F)(F)F)nc2)C1 1698483527 DWMKXUHEUWSBHK-RDTXWAMCSA-N 488.467 2.007 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2sccc2c1 1705494878 HPPGRBGHVDKETM-QAPCUYQASA-N 459.597 2.332 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCC(=O)NC(C)C 1705580713 PCJOEALCHNZOAB-UHFFFAOYSA-N 459.554 2.223 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCCN1C[C@@H](C)C[C@H](C)C1 1705668060 CQPBLJHKTATHBA-ZVVDCOBXSA-N 450.653 2.248 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1705714281 LGEYNTOOUAMWJF-QFIPXVFZSA-N 456.572 2.083 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CC[C@@](C)(CC)O2)CC1 1705769536 VNGWWLIVSDJPCC-LVCYWYKZSA-N 453.609 2.115 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1705935384 PMKFICBJBRTZEZ-VQTJNVASSA-N 460.600 2.341 30 10 JEEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2c(cccc2OC)C1 1705939947 QXNWHQOSSAMMHP-OAHLLOKOSA-N 451.618 2.379 30 10 JEEE CC(C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1706632564 BJZNTIBXYPIOIF-QGZVFWFLSA-N 477.491 2.236 30 10 JEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1722316517 JLJNPUMFBXOJLJ-IXDOHACOSA-N 459.563 2.142 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@@H]1CCC[C@@H]1OC)[C@@H]1CCS(=O)(=O)C1 1722363493 ULOUPURAWSMKMW-NSHGMRRFSA-N 458.584 2.396 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@@H]1CCCN1CC)[C@H]1CCS(=O)(=O)C1 1722371783 LNCYJSKSTSDYFI-SFTDATJTSA-N 471.627 2.277 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CC(C)C)CC1 1722446347 SOTAKLWEOSJDTD-UHFFFAOYSA-N 461.570 2.297 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@H](C)N(C)C 1722449268 SGSMMLHRYFPKFD-SFHVURJKSA-N 451.575 2.272 30 10 JEEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cc(C)ccc1F 1722460470 GOCOJKNVZSSNJL-IBGZPJMESA-N 481.619 2.061 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CC[C@]2(CCOC2)O1 1722661645 MSSXURILKUWXOV-CSODHUTKSA-N 481.644 2.481 30 10 JEEE C=CCN(CCc1ccco1)c1nnc(Cc2cccnc2)n1CC1(O)CCS(=O)(=O)CC1 1722675293 ZFLFQAPKQAUWDG-UHFFFAOYSA-N 471.583 2.032 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCN([C@H](C)c2cccc(OC)c2)CC1 1722728818 ZEOQKADTZXOJSL-LJQANCHMSA-N 499.641 2.171 30 10 JEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1722739998 ZPXJVJSBNQEEDO-CQSZACIVSA-N 485.573 2.122 30 10 JEEE CC(C)c1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1CCNS(=O)(=O)Cc1ccon1 1723169681 DSUXKNUSFSRSLZ-UHFFFAOYSA-N 499.597 2.429 30 10 JEEE COCCN(Cc1ccco1)c1nnc(-c2cccc(C#N)c2)n1CCN1CCCS1(=O)=O 1730754209 AIAAPEJBPQJCHW-UHFFFAOYSA-N 470.555 2.098 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCC(C)CC2)nc1 1740533601 SCQNNSOWAMXTGQ-QZTJIDSGSA-N 459.620 2.026 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1CCN1CCCS1(=O)=O 1740535073 NMRVQSVMGGQPBY-QZTJIDSGSA-N 461.588 2.310 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCC[C@@H]2OC)c1 1740563221 RHNLZZWWIHRGOE-HOJAQTOUSA-N 450.543 2.101 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H](OC)c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1740620569 FCLMXDUQZPBWFG-CTNGQTDRSA-N 469.542 2.494 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1Cc1cccc(C(OC)OC)c1)[C@@H]1CCS(=O)(=O)C1 1740625840 IJFITLMTMPKYFK-HXUWFJFHSA-N 460.600 2.443 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCC1CC(OC(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1 1740626635 MTUZVNGPDBFZSG-KAXARAQCSA-N 464.632 2.393 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1cc(F)ccc1F)[C@@H]1CCS(=O)(=O)C1 1740628584 ZAXSCABKKSDQAR-MJGOQNOKSA-N 450.511 2.473 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1C[C@@H](C)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1740628606 ZCDWKNIPEXQIGM-FGTMMUONSA-N 481.619 2.060 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H](c2ccco2)N2CCCC2)CC1 1740689508 XTYPTTOUOLODOT-OAQYLSRUSA-N 467.618 2.382 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H]2CCCCN2CC)CC1 1740707388 ZWWFMQHRMDCQCZ-NRFANRHFSA-N 469.659 2.474 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1740757257 NTFWUTWWNRAPBP-GGPKGHCWSA-N 462.620 2.362 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccn2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1740757801 RRPOPJOFJMCHRM-UYAOXDASSA-N 460.604 2.087 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCN(C)C2CCCCC2)CC1 1740825240 KTODTOUXQVZRTK-NRFANRHFSA-N 480.679 2.422 30 10 JEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N(CC)C[C@@H]1COc2ccccc2O1 1740963471 LTLSVNXAWAQRCK-LJQANCHMSA-N 465.558 2.108 30 10 JEEE C=CCOc1ccccc1Cn1c(N2CC[C@@](C)(C(N)=O)C2)nnc1[C@@]1(OCC)CCOC1 1740971687 SWHYGLHWSUSZDK-DNQXCXABSA-N 455.559 2.245 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2cc(C)nn2C)C1 1740979910 GWHZHVDBAPLRRO-UXHICEINSA-N 487.605 2.458 30 10 JEEE C=CCSCCn1c(N2CCN(C(=O)c3ccccn3)CC2)nnc1[C@]1(OCC)CCOC1 1741004837 NQMWBFJUZYLHAW-QHCPKHFHSA-N 472.615 2.207 30 10 JEEE CCNC(=O)C(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1746484939 BRNIPSGUNKOPAO-WOJBJXKFSA-N 452.559 2.394 30 10 JEEE CN(c1nnc(-c2ccc(C#N)cc2)n1CCCS(C)(=O)=O)[C@@H]1CCCc2c1cnn2C 1747617387 FJUWRZHCQLYWSF-LJQANCHMSA-N 453.572 2.499 30 10 JEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1748719169 VSRSXFRTCJHCFT-RTBURBONSA-N 467.636 2.198 30 10 JEEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 1748725014 POYKFFMUSQDHDI-UHFFFAOYSA-N 451.531 2.439 30 10 JEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1ncccc1N(C)C 1748770596 CDYIWUNLDXMTRB-UHFFFAOYSA-N 452.588 2.125 30 10 JEEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1CCCN1CCOC1=O)[C@@H]1CCS(=O)(=O)C1 1748805070 NTHWDTBDILHMRI-NHCUHLMSSA-N 485.610 2.289 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CCN1CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1748825348 XUWBJSDZQNBQBU-QUCCMNQESA-N 475.590 2.107 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1CCS(=O)(=O)C(C)(C)C 1748945317 QJVIARQMZORLSA-GOSISDBHSA-N 461.563 2.221 30 10 JEEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(C(=O)N2CCCC2)CC1 1749044176 OLBMAWJCBOJIOC-UHFFFAOYSA-N 455.632 2.345 30 10 JEEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1749199734 ZXROXRKMRMYEMB-UHFFFAOYSA-N 468.543 2.476 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2cc(OC)c(OC)cc2CC1 1749229436 KNEWYKLSNIVSFV-HXUWFJFHSA-N 490.626 2.395 30 10 JEEE C=C1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@]2(N3CCOCC3)CCSC2)CC1 1749291258 CILMUNNMGKMKRH-UGKGYDQZSA-N 451.637 2.366 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CC[C@]2(CCC(=O)N2)C1)C(C)C 1749557060 GEVSXQQWSZWPKA-HYBUGGRVSA-N 452.607 2.236 30 10 JEEE C=CCN(CC=C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1749561227 JOVCZTZXIKQFQO-CQSZACIVSA-N 469.409 2.496 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc3ccccc3o2)nnc1N(C)Cc1ncnn1CC(F)F 1749658231 IJMMNZYHQJTJKR-UHFFFAOYSA-N 456.457 2.487 30 10 JEEE C=CCNC(=O)Cn1c(N2CCSC[C@H]2C)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1749682073 NYQBPFMJSXDMBP-OAGGEKHMSA-N 450.609 2.293 30 10 JEEE CC(=O)N1CCN([C@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCOC(C)C)C[C@H]2C)CC1 1749886288 YZMSBHCYNVLXFG-XXBNENTESA-N 465.602 2.231 30 10 JEEE N#C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cccc(C(F)(F)F)n2)CCO1 1750386285 DTRJQRCSJCAUBS-CQSZACIVSA-N 458.404 2.116 30 10 JEEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N(C)C)CCN(C2CCC2)C1 1752387489 HBUVPVJQTGAKPD-GOSISDBHSA-N 451.575 2.128 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1(CS(C)(=O)=O)CC1 1760096305 JJEJVSRAAMIWTM-HNNXBMFYSA-N 463.991 2.144 30 10 JEEE C#CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@H](C(=O)NC)C1 1760137236 HGCBJYQYBGNHDH-FQEVSTJZSA-N 450.591 2.218 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1C[C@H]1CN(Cc2ccccc2)CCCO1)[C@H]1CCS(=O)(=O)C1 1760186076 KFDAQZHQIWICJT-BJKOFHAPSA-N 499.681 2.394 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCCN(C)[C@H]1c1cccs1 1760248665 PSSFVSGVAICKHW-BBTUJRGHSA-N 456.616 2.460 30 10 JEEE C=C(Br)Cn1c(-c2ccccn2)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 1760304624 AWCJLMZHKDWZCF-UHFFFAOYSA-N 499.435 2.126 30 10 JEEE C=CCCOCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1760447313 IASUCELMCRQEPL-SFHVURJKSA-N 494.390 2.260 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H]2C[C@H]1CO2)C(C)C 1760490009 OIRRHABNSCSZKT-TUFLPTIASA-N 463.648 2.246 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](Cc2ccc(C#N)cc2)C1 1760514423 FKAATKIKNLANON-OAQYLSRUSA-N 461.570 2.147 30 10 JEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCc2cc(OC)c(OC)cc2C1 1760527138 ZQLMMLUITKHGJP-UHFFFAOYSA-N 465.558 2.022 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](C(F)(F)F)C1 1760528626 IHVDHENSZGMUID-LSDHHAIUSA-N 488.511 2.420 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cnccn3)n2CCCS(=O)(=O)c2ccccc2)C1 1760544796 HJVVMGGJHCTKKR-SFHVURJKSA-N 454.556 2.380 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@H]1CCC=CO1 1764173310 DXDWTOORPOSBIA-HXUWFJFHSA-N 464.574 2.482 30 10 JEEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCC[C@H]2C)CC1 1771149427 DEGREBVOLGFPLX-NTKDMRAZSA-N 454.575 2.048 30 10 JEEE COc1cc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2CCCN2CCOCC2)cc(OC)c1O 1862564708 GPZOFIBDDIZJFL-JOCHJYFZSA-N 497.548 2.292 30 10 JEEE C=CCn1c(C(=O)N2CCN(c3ccccc3)CC2)cc2c(N3CCC(C(N)=O)CC3)ncnc21 1873562406 BGCBXUKKVGOMRA-UHFFFAOYSA-N 473.581 2.281 30 10 JEEE CCOc1c(/C=N/n2c(CNC(C)=O)nnc2SCC(=O)N(CC)CC)cccc1OC 1874431737 ZZGPCWQTIHNOQS-FSJBWODESA-N 462.576 2.164 30 10 JEEE CCCN(CCC)C(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1ccc(O)c(OC)c1 1874435255 VLMXAKMNYAIQJA-FSJBWODESA-N 462.576 2.251 30 10 JEEE CN1CCN(CC#CCOC2CCN(S(=O)(=O)c3ccc(Oc4cccnc4)cc3)CC2)CC1 1889918741 USDOMFKYJUKJBU-UHFFFAOYSA-N 484.622 2.294 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)NC[C@@]1(O)CCCN(C(=O)OC(C)(C)C)C1 2081463935 DJJBNPKLCGPRED-AOMKIAJQSA-N 454.568 2.452 30 10 JEEE CC(C)(C)OC(=O)N1CCN(CC(=O)NCc2cccc(B3OC(C)(C)C(C)(C)O3)c2)CC1 2180973280 WVTXARGORONBOQ-UHFFFAOYSA-N 459.396 2.155 30 10 JEEE CC(C)(C)OC(=O)NOCCNS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2247951784 KUGINTOSCIMQSZ-UHFFFAOYSA-N 482.817 2.435 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H](O)CNC(=O)c1ccc(Cl)cc1B1OC(C)(C)C(C)(C)O1 2255543464 JIYLYBLLYYAVSF-AWEZNQCLSA-N 454.760 2.255 30 10 JEEE CC(C)(C)OC(=O)NOCCCNS(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2255751722 BUEWFWHLWPZEJT-UHFFFAOYSA-N 456.370 2.111 30 10 JEEE CN(C[C@H](O)CN(C)C(=O)c1csc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)OC(C)(C)C 2255846104 GSVAUEJPKUJPBT-OAHLLOKOSA-N 454.398 2.347 30 10 JEEE CC[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 2256639662 DUEUJYHGWCRFQF-CHWSQXEVSA-N 452.386 2.233 30 10 JEEE C[C@H](NS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1)C(C)(C)NC(=O)OC(C)(C)C 2267346728 GDXMWSYEYBDLGO-AWEZNQCLSA-N 469.413 2.351 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCCN(S(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267378479 PPTIWQUUZDRBFX-MRXNPFEDSA-N 467.397 2.059 30 10 JEEE CCc1nn(C)c(C(=O)N2CCC[C@H](NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2281978460 DCPDRLWEAPXVMO-HNNXBMFYSA-N 462.400 2.411 30 10 JEEE Cc1c(C(=O)N(C)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281984332 BXEPJJICLJXAJJ-INIZCTEOSA-N 462.400 2.499 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H](NC(=O)OC(C)(C)C)C3(CC3)C2)n1 2281995988 JRWSERQYYWYYKE-INIZCTEOSA-N 460.384 2.332 30 10 JEEE Cn1nc(C(=O)N2C[C@@H]3CCN(C(=O)OC(C)(C)C)[C@H]3C2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2282548338 XBSUVZBAKFFJMY-KBPBESRZSA-N 480.802 2.454 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)C1 2282578238 OXZSWWVOQYCVFM-JKSUJKDBSA-N 462.400 2.485 30 10 JEEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1CCNC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2282585894 RGZSTGHRGQYVKD-CVEARBPZSA-N 462.400 2.342 30 10 JEEE C[C@H]1C[C@H](CNC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CN(C(=O)OC(C)(C)C)C1 2282624114 KPWJQJSIJXJDSG-JKSUJKDBSA-N 460.384 2.399 30 10 JEEE CN(C(=O)OC(C)(C)C)[C@@H]1CN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)CC12CC2 2282695930 VRFXIKUOTBIXJW-MRXNPFEDSA-N 458.368 2.247 30 10 JEEE CC(C)(C)OC(=O)N[C@]1(CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2O)CCOC1 2282810397 SLCYAXKUXPLAJY-QHCPKHFHSA-N 462.352 2.105 30 10 JEEE CC1(C)OB(c2ccc(CS(=O)(=O)N[C@H](COCc3ccccc3)C(=O)O)cc2)OC1(C)C 2284415350 XCJAQSCGJLUEPM-HXUWFJFHSA-N 475.372 2.075 30 10 JEEE COC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(OC)c(B2OC(C)(C)C(C)(C)O2)c1 2296181159 WZQGNFJMBJQQNP-KRWDZBQOSA-N 464.368 2.150 30 10 JEEE COc1cc([C@@H]2C(=C(O)c3ccco3)C(=O)C(=O)N2CCCN2CCOCC2)cc(OC)c1OC 2296933606 XAWNUDRSBBFOIF-OAQYLSRUSA-N 486.521 2.449 30 10 JEEE CCCCn1c(N2CCOCC2)c(C=C2SC(=S)N(CCC(=O)O)C2=O)c(C)c(C#N)c1=O 2314458964 CEUKONKYNJADRN-UHFFFAOYSA-N 490.607 2.341 30 10 JEEE C=CC1(N[C@@](C)(C(=O)O)[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)CN(C(=O)OC(C)(C)C)C1 2326232964 IMXQBAOSIXHBSF-YCRPNKLZSA-N 455.552 2.231 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H]3CC[C@H]2[C@H]3NC(=O)OC(C)(C)C)n1C 2362341364 SJHRCEPKOLLCMP-JYJNAYRXSA-N 460.384 2.155 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@]1(F)C[C@H](CNC(=O)OC(C)(C)C)C1 2362358153 WHSKSDUKBYIJQR-CAJLXGCNSA-N 466.363 2.092 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C 2362482505 FZGDOZFYEYOHPP-MRXNPFEDSA-N 462.400 2.405 30 10 JEEE CC(C)(C)OC(=O)NC1[C@@H]2CN(C(=O)c3cc(F)c(B4OC(C)(C)C(C)(C)O4)cc3O)C[C@@H]12 2364934983 HMYMSMPSFOQMLG-ZIAGYGMSSA-N 462.327 2.426 30 10 JEEE Cc1ccc(NC(=O)[C@@H](CC(N)=O)NC(=O)OC(C)(C)C)c(F)c1B1OC(C)(C)C(C)(C)O1 2381155973 LCJRZNMIDOVAPF-CQSZACIVSA-N 465.331 2.141 30 10 JEEE CCc1nnc(CN(CC)C(=O)CSc2nnc(N/N=C/c3c(O)ccc4ccccc34)n2N)o1 20916884 PLJWNVVOCWEUDC-BHGWPJFGSA-N 495.569 2.383 30 10 JEEE COc1cc(/C=N/Nc2nnc(SCc3nnc(C(F)(F)F)o3)n2N)cc(OC)c1OC 20920371 HHFKKJKNNJMUGL-AERZKKPOSA-N 474.425 2.158 30 10 JEEE N#Cc1cc(C#N)c(S[C@@H](C(=O)NCc2ccc(S(N)(=O)=O)cc2)c2ccccc2)nc1N 59842535 UOCDUSRIHHIWMH-LJQANCHMSA-N 478.559 2.204 30 10 JEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC[C@@H](O)CN2CCc3ccccc3C2)cc1 501494519 KJWABTNXJAYDLO-OAQYLSRUSA-N 458.584 2.034 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)C[S@](=O)CC(=O)Nc2cccc(C(C)=O)c2)nc1C 586291483 AODPVXSKNIXODA-WJOKGBTCSA-N 463.537 2.323 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)C[S@@](=O)CC(=O)Nc2cccc([N+](=O)[O-])c2)nc1C 586348903 HUAUATGFWJJZQF-HKBQPEDESA-N 466.497 2.028 30 10 JEEE CN(C)[C@@H](CNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)c1cccc(F)c1 616172806 UHHJEILERQDEJJ-FQEVSTJZSA-N 459.547 2.016 30 10 JEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(C)n(-c3ccccc3)c2C)c(=O)n1-c1cnn(CC)c1 726180670 RMNXHYASMONPRT-UHFFFAOYSA-N 498.612 2.328 30 10 JEEE CCn1c(=C(C#N)C(=O)Nc2ccccc2Br)sc(=Cc2cnn3ccccc23)c1=O 729670462 SMJHVUZDPRYMKB-UHFFFAOYSA-N 494.374 2.482 30 10 JEEE C=CCn1c(-c2cccnc2)nn(CN2CCC(CC(=O)N3CCN(C)CC3)CC2)c1=S 731355915 IEVJAPMIWMIFFH-UHFFFAOYSA-N 455.632 2.496 30 10 JEEE COc1cc(C=NNc2nc(SCC(=O)Nc3nccs3)n[nH]2)c([N+](=O)[O-])cc1O 1084083798 DRLSJFWCELTQBU-UHFFFAOYSA-N 450.462 2.060 30 10 JEEE CCOc1cc(C=NNc2nc(SCC(=O)NCc3nnc(C(C)C)o3)n[nH]2)ccc1O 1084452167 ACTUKCHUSMMLEC-UHFFFAOYSA-N 460.520 2.270 30 10 JEEE C#CCCCn1c(Cc2csc(C)n2)nnc1N1CCN(CC(=O)NCc2ccccc2)CC1 1286353990 DQGYPFRXWZFJED-UHFFFAOYSA-N 477.638 2.486 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCCN1CC)[C@@H]1CCS(=O)(=O)C1 1286387338 CSWHNWKQBLIEBY-FGZHOGPDSA-N 466.611 2.318 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1CCc1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1286388578 RSWGXZCGIQUDQU-IBGZPJMESA-N 499.593 2.437 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@H](OC)c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1286391280 CHBZVIBFVKWTRY-VXKWHMMOSA-N 483.569 2.417 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1c(C)nn(-c2ccccc2)c1C 1286460594 GZRWHDPZYZYCCT-UHFFFAOYSA-N 461.570 2.451 30 10 JEEE C#CCN(CCOC)c1nnc(Cc2ccncc2)n1C[C@@H]1C[C@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1286466969 OVBLWLBIZUJBJQ-FKBYEOEOSA-N 496.612 2.374 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2CCCN2CCCO[C@@H](C)C2)CC1 1286484593 RZMHUXJITIVQPP-NRFANRHFSA-N 470.593 2.252 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(CNC(C)=O)CC1 1286561734 GUTLTTGKTKKAJR-CMOCDZPBSA-N 461.607 2.336 30 10 JEEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ccc(OC)nc1OC 1286718280 DQPLHWXXKWXAKS-UHFFFAOYSA-N 472.571 2.278 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O)C(C)C 1286752018 QCWWWEMTBXUJKW-WOJBJXKFSA-N 485.633 2.349 30 10 JEEE C=CCS(=O)(=O)CCn1c(N(C)[C@H]2CCCc3c2cnn3C)nnc1[C@@]1(OC(C)C)CCOC1 1286823738 QCUDJQWDRRWNAH-WMZHIEFXSA-N 492.646 2.167 30 10 JEEE CC(C)N(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1287926730 CVLLUJDVDWJUJK-NHCUHLMSSA-N 451.575 2.316 30 10 JEEE CO[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ncccc2C(N)=O)CC1)C(C)C 1299648535 HXFIBZKSCSTABI-NRFANRHFSA-N 474.569 2.308 30 10 JEEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1300386898 VXUREUKRLZFNAX-UZLBHIALSA-N 488.434 2.438 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CCCc1cccc(C)n1)[C@H]1CCS(=O)(=O)C1 1300498312 IYDFCGHKBXFQPZ-QFIPXVFZSA-N 464.595 2.227 30 10 JEEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1CCC=C(C)C)[C@H]1CCS(=O)(=O)C1 1300505104 XRLWXOWHXYNMFQ-KRWDZBQOSA-N 461.613 2.253 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCS(=O)(=O)c1ccccc1 1300558886 FOGXKIXSXRZNDD-XMMPIXPASA-N 470.595 2.256 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1OCC(C)C 1300577818 CEICEIJFAFORJK-HSZRJFAPSA-N 499.637 2.157 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H]1CCCN(C(C)=O)C1 1300618839 MWYMZIAOFMVTNX-IBGZPJMESA-N 461.570 2.393 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(COCCOC)cc2)CC1 1300700791 WPYFYUAGPSTSKR-QHCPKHFHSA-N 453.587 2.139 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCc2ccncc2)CC1 1300718166 DFCODIGAVNYFTM-UHFFFAOYSA-N 459.510 2.457 30 10 JEEE C#CCSCCn1c(-c2ccccc2OC)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1300754225 MCYKWYLBGAAGOR-SIKLNZKXSA-N 482.654 2.309 30 10 JEEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1301027193 KTGIDSPFASVNGJ-UHFFFAOYSA-N 484.369 2.386 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(F)cc3Br)n2CCNS(C)(=O)=O)C1 1301546565 TVPWFGSSVOKLMH-CQSZACIVSA-N 488.383 2.177 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2cc(F)cc(F)c2)C1 1301556961 KWYGFIMHIUJGRR-APWZRJJASA-N 452.527 2.482 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)[C@H](C)CC(N)=O 1301576524 WJOJGOWKQILMSJ-HUUCEWRRSA-N 465.645 2.432 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCNC(=O)[C@H]1CC 1301593818 UYBCATAWAHMUNR-HXUWFJFHSA-N 489.642 2.470 30 10 JEEE CC(=O)N1CCN(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCSC(C)(C)C2)CC1 1301774117 AOAYFPBMUVVHMK-UHFFFAOYSA-N 483.642 2.225 30 10 JEEE C#CCN1CCN(C(=O)CN[C@@H](C(=O)N2CCC(Cc3ccccc3)CC2)[C@H](C)CC)CC1 1307632423 JBVLZPCCHYKREZ-ATIYNZHBSA-N 452.643 2.249 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCOC1 1316089174 BCIQTDBNWJGHJU-LEWJYISDSA-N 473.599 2.131 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3noc4c3COCC4)n2CCC(C)(C)O)c1 1358902278 JMHSZYOTJAVBER-UHFFFAOYSA-N 464.526 2.223 30 10 JEEE C#CCN(c1nnc(-c2cc3c(s2)CCCCC3)n1CC(=O)NCCC)[C@H]1CCS(=O)(=O)C1 1358958041 GJNLNUFOGJELEL-SFHVURJKSA-N 489.667 2.428 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1358958193 JKWQGYOCCWWEBO-HOTGVXAUSA-N 485.393 2.294 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2CCN2CCCCCC2)CC1 1359039406 HPXMEOKAEDDQMZ-UHFFFAOYSA-N 452.603 2.497 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(O)(CC)CC)CC1 1359041746 GYKXBPJFALVGSC-UHFFFAOYSA-N 454.531 2.370 30 10 JEEE C=C(C)COCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1359130046 WQAFOUUKDFZZEC-OAQYLSRUSA-N 498.628 2.298 30 10 JEEE C=C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC(=O)NCc2ccco2)CC1 1359161281 XKWGGKHTVFZWQW-UHFFFAOYSA-N 484.582 2.261 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN(c2c(F)cccc2OC)CC1 1359329991 BQCCNXUGCDMBFW-UHFFFAOYSA-N 488.589 2.359 30 10 JEEE C=CCn1c(S)nc2cc(C(=O)N[C@H](CC)c3cccc(S(N)(=O)=O)c3)ccc2c1=O 1447954802 XRMNCYNZBLAMPU-QGZVFWFLSA-N 458.565 2.400 30 10 JEEE C=CCc1cc(C(=O)N[C@@H](C(=O)N(C)Cc2nnc3n2CCC3)C(C)C)cc(OC)c1OC 1459752468 LRSUNDORFHOSLD-OAQYLSRUSA-N 455.559 2.383 30 10 JEEE CC(C)c1nn([C@H]2CCS(=O)(=O)C2)cc1C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 1463587287 HNYMZWFXMOCXNX-FQEVSTJZSA-N 455.584 2.196 30 10 JEEE C=C[C@@H]1OCC[C@H]1NC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCN(C)CC1 1464942740 DGGZZOUKJLQQMH-KNQAVFIVSA-N 477.631 2.078 30 10 JEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@H](c2ccc(S(C)(=O)=O)cc2)C1 1470457676 XDKUYHNMTGEDRY-RBUKOAKNSA-N 450.557 2.297 30 10 JEEE C#Cc1cccc(CNC(=O)N2CCN(S(=O)(=O)c3ccc(C(=O)OCC)cc3)CC2)c1 1478815863 NQGLGKXJKDFSRO-UHFFFAOYSA-N 455.536 2.061 30 10 JEEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1501194277 GZKZJZLPXQKACW-GOSISDBHSA-N 453.547 2.446 30 10 JEEE CCN(C1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2c(C)nn(C)c2C)CC1)S(C)(=O)=O 1501683448 APKHNYFCZNBWJN-UHFFFAOYSA-N 496.641 2.466 30 10 JEEE CO[C@@H]1COCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1504520226 BTNATWOFQPFCGP-ILWGZMRPSA-N 452.559 2.173 30 10 JEEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](c1cccs1)N1CCOCC1 1507604400 AVLBRYFSWJHHAJ-QGZVFWFLSA-N 451.556 2.130 30 10 JEEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CCc1ccc(F)cc1C)[C@H]1CCS(=O)(=O)C1 1507628592 XRVBJUCOQTUIPG-XUZZJYLKSA-N 490.601 2.247 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(Br)c2)n1CCCOC)[C@H]1CCS(=O)(=O)C1 1507629824 WSGKMYMSNDVCAJ-INIZCTEOSA-N 497.415 2.379 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1c(F)cccc1N1CCCC1 1507652821 JGXOHIDXPPDSRU-SFHVURJKSA-N 455.559 2.041 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCN1CCOC[C@@H]1C 1507709829 BNAUGZVMVZNURD-FQEVSTJZSA-N 493.612 2.043 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCCO2)nnc1N1CCC(C(=O)NCCOC)CC1 1507798074 MZFFAJAGTBALTR-NJYVYQBISA-N 461.607 2.480 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N(C)CCS(=O)(=O)CC 1507806517 SNLWJPIIMHFCHS-LPHOPBHVSA-N 453.634 2.486 30 10 JEEE C=C(C)COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1507839429 RBSINDUUWUEESP-UHFFFAOYSA-N 478.575 2.306 30 10 JEEE C=CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1507943047 WAZJDYSOFYYWFH-QHCPKHFHSA-N 454.579 2.311 30 10 JEEE CC(=O)N1CCC[C@@H](Cn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N(C)C[C@H](C)C#N)C1 1508209349 BQPJRGDTMVLIAS-IEBWSBKVSA-N 487.630 2.050 30 10 JEEE COC(=O)CN(C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)c1cccc(F)c1 1516175025 DTDPBFRGQTZSNU-UHFFFAOYSA-N 459.499 2.304 30 10 JEEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC(C)(C)N1CCOCC1 1539025680 LBSVLUCWLXQGNA-QHCPKHFHSA-N 479.673 2.212 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)c(Br)c2)n1CC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1539211327 HQTISEVYWFMRES-MRXNPFEDSA-N 481.416 2.414 30 10 JEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1CCC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1539218816 DPRWJFUSHOJFAM-SFHVURJKSA-N 450.992 2.310 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CC(C)(C)N2C[C@@H](C)O[C@H](C)C2)CC1 1539482606 NJOZLMWNCIQEPC-WOJBJXKFSA-N 458.651 2.330 30 10 JEEE C#CCSCCn1c(COc2ccccc2F)nnc1N1CCN(c2cccnn2)CC1 1539526774 PDWFGMSWXYYWGT-UHFFFAOYSA-N 453.547 2.479 30 10 JEEE C=C(Br)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(NC(C)=O)CC1 1539594212 HQLHMMNJZFEMGC-UHFFFAOYSA-N 486.374 2.206 30 10 JEEE C=C(Br)Cn1c(COc2ccccc2OC)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1539608196 WAJSNXQLPLCHPG-LSDHHAIUSA-N 462.348 2.489 30 10 JEEE C=C(Br)Cn1c(N2CCN(CC(C)C)C(=O)C2)nnc1[C@@]1(OCC)CCOC1 1539608829 DOXGILLULUFUPS-LJQANCHMSA-N 456.385 2.143 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(CC(=O)N(C)C)CC1 1539645248 MCWAVGOGDLLPBT-PABCKOPISA-N 488.677 2.388 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC=CCO1 1540148009 ZATJTCYLDIJLDK-IEBWSBKVSA-N 479.628 2.210 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CCN(S(C)(=O)=O)C1 1540853016 HSQCOMKENGRMGM-IPMKNSEASA-N 469.652 2.117 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1540864660 HLISAIDACNTYLO-OYHNWAKOSA-N 463.485 2.233 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 1540868841 TXVMQVALNNHODA-UHFFFAOYSA-N 451.506 2.117 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1540874654 NOOQPNFHSWWVBV-OAQYLSRUSA-N 479.585 2.186 30 10 JEEE C=CCOc1ccccc1Cn1c(Cc2csc(C)n2)nnc1N1CCS(=O)(=O)CC1 1540881546 MAHBUBSYEGKNSW-UHFFFAOYSA-N 459.597 2.482 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(CCc2cccs2)CC1 1540900909 MPFCSTBDHVAAFU-UHFFFAOYSA-N 460.629 2.300 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2CCC2(O)CCOCC2)c1 1587697003 HCMQYVFOZKABKW-UHFFFAOYSA-N 474.565 2.252 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](SC)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1588029392 HFKFEHYOHPKEFK-IAGOWNOFSA-N 490.655 2.330 30 10 JEEE C#CCN(c1nnc(COc2ccccc2OC)n1CCC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1588069490 PCNSSGQARNGBBI-HXUWFJFHSA-N 488.610 2.309 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2CCn2cc(Br)cn2)CC1 1588872128 XHBFFPKKVSULBL-UHFFFAOYSA-N 488.365 2.411 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H](C)N(C)C2CC2)CC1 1588898863 FVOZFZHDTLJEDQ-GOSISDBHSA-N 480.613 2.411 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnccc2OC)CC1 1588908874 XVHZQGUBKVGYQN-UHFFFAOYSA-N 455.522 2.234 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@](C)(O)C1CC1 1595302616 BTNNZRNDIOAPLC-FDDCHVKYSA-N 465.595 2.386 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1595490014 KZCGXXAMAPUSBK-AWEZNQCLSA-N 478.395 2.031 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(Cc2cc(C)ccc2OC)CC1 1595523120 QBISSFQLEQAZBC-UHFFFAOYSA-N 461.570 2.282 30 10 JEEE C=CCNC(=O)CNC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N(CC)CC 1622746042 NLXYFSQLCKTIJY-UHFFFAOYSA-N 451.593 2.131 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)NC[C@H]2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)ccc1F 1625657609 WPFNMLMBPIJSRR-PHZGNYQRSA-N 453.536 2.133 30 10 JEEE Cc1cc(Cl)cc(C#N)c1OCC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 1641217169 CWXDRQUJPDYMJF-HXUWFJFHSA-N 455.898 2.410 30 10 JEEE COc1ccc(N2C[C@H](NS(=O)(=O)c3ccc(C#N)c(Br)c3)CC2=O)cc1 1670280118 GVOTTXFKLPHATA-CYBMUJFWSA-N 450.314 2.413 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2CCC(=O)N[C@H](C)CC)c1 1689871803 FPZKGYYEIDLPPE-MJGOQNOKSA-N 452.559 2.143 30 10 JEEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC1(N(C)C)CCOCC1 1689961271 RIVHCTRAVNZESN-UHFFFAOYSA-N 463.586 2.245 30 10 JEEE C#CCN(c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCC)[C@@H]1CCS(=O)(=O)C1 1689990839 SOPAQOSYOSSTJQ-GOSISDBHSA-N 465.620 2.429 30 10 JEEE C#CCN(c1nnc(CC)n1Cc1ccc(OCc2ccccn2)cc1)[C@H]1CCS(=O)(=O)C1 1689991585 ACMYHKXDOKIDEY-NRFANRHFSA-N 465.579 2.490 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1Cc1cc(C)on1)[C@@H]1CCS(=O)(=O)C1 1689993062 UYBSAUKBOMLXTO-MRXNPFEDSA-N 461.494 2.119 30 10 JEEE C#CCN(c1nnc(COc2ccccc2CC)n1C[C@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1689997209 XRNWXWKRFZFGSD-AUSIDOKSSA-N 460.600 2.207 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1690112497 ZFHNDVBXJZPACZ-OALUTQOASA-N 475.590 2.137 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(C)nc4ccccc34)n2CCS(=O)(=O)CC=C)CC1 1690113565 NGGKFMLPTJAOLX-UHFFFAOYSA-N 464.595 2.158 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H](C)Oc2ccccc2)CC1 1690132403 PJBHVLMZNJKIJU-IBGZPJMESA-N 464.595 2.492 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H](C(=O)NCCC)C1 1690662200 UJXPGIWLIQKTOG-AWEZNQCLSA-N 478.395 2.081 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)ccc2C)nnc1N1CC[C@](C)(C(=O)NC)C1 1690729157 HPQMUTAEBXBBQF-QHCPKHFHSA-N 475.615 2.037 30 10 JEEE CC(C)NC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1692564663 GXOUADGEGLFTFL-NRFANRHFSA-N 451.575 2.238 30 10 JEEE CO[C@@]1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCCC[C@@H](S(C)(=O)=O)C2)CCOC1 1697227657 BDSLBXXCFPZFNZ-DENIHFKCSA-N 459.572 2.026 30 10 JEEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H](C)N1CCN(c2ccccc2)CC1 1705558639 DCVOUOHTISGJJG-GIWBLDEGSA-N 452.603 2.282 30 10 JEEE C#CCN(c1nnc(-c2ccccc2F)n1Cc1nccc(C(F)F)n1)[C@@H]1CCS(=O)(=O)C1 1705564566 PEUSFKLPEUOBCS-CQSZACIVSA-N 476.484 2.487 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC[C@H](C)N(C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1705567354 XBVQTHLOXPLPAG-REWPJTCUSA-N 495.653 2.216 30 10 JEEE C#CCN(c1nnc(COc2ccccc2OCC)n1C[C@@H]1CC=CCO1)[C@H]1CCS(=O)(=O)C1 1705568871 WQNWKIAQSUOHLC-PMACEKPBSA-N 486.594 2.228 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(c2ccccc2C)CCOCC1 1705574282 ZKYIBVJWHCFVDR-HXUWFJFHSA-N 469.611 2.018 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2CC2(C(=O)N(C)C)CCCC2)CC1 1705643263 YKSTVIAIUWCFQH-UHFFFAOYSA-N 480.613 2.270 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2CC(F)(F)CNC(=O)OC(C)(C)C)CC1 1705643347 CFQSXTRCVHIJND-MRXNPFEDSA-N 454.522 2.045 30 10 JEEE C#CCSCCn1c(-c2cc(F)ccc2Br)nnc1N1CCS(=O)(=O)CC1 1705654994 AAANJJKFRSWPKG-UHFFFAOYSA-N 473.393 2.448 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(Cc2ccccc2)CC1 1705661732 IIIRYCMTHXITLE-OAQYLSRUSA-N 473.668 2.259 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](Nc2ccccc2)C1 1705754637 CFBCLLJMNFKOMP-OALUTQOASA-N 481.022 2.444 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@](C)(O)c2cccc(Cl)c2)CC1 1705769296 OJLWDEFDGMZQHB-DENIHFKCSA-N 496.033 2.329 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1705864374 ZNRHWAODVCOPBW-VXKWHMMOSA-N 496.655 2.122 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C)Cc2ccccc2C1 1705884372 MSOCYDAVXFYRCM-OAQYLSRUSA-N 489.642 2.055 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1705895470 HYECPMKOBHMAFD-DYVFJYSZSA-N 469.464 2.421 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1705899111 IJSMOCQURYEYFO-UHFFFAOYSA-N 457.600 2.493 30 10 JEEE C=CCNC(=O)Cn1c(N2CCCN(C(=O)Cc3cccc(F)c3)CC2)nnc1C(C)(C)C 1705909198 PXGXGTVXTDWUCB-UHFFFAOYSA-N 456.566 2.298 30 10 JEEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1705939856 OIWWYRAHBRKENT-UHFFFAOYSA-N 459.620 2.360 30 10 JEEE CC(C)NC(=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1CCCN1CCCO[C@@H](C)C1 1706583943 GXMITGHRJMSDAE-IBGZPJMESA-N 453.591 2.425 30 10 JEEE CN(CC1CCC1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1711140246 DAEAYZUSANBWKM-LJQANCHMSA-N 458.588 2.247 30 10 JEEE COCCN(C)CCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@](F)(C#N)C1 1712417612 DUVSIWOGDQLMHL-GOSISDBHSA-N 454.348 2.446 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCc1cccnc1)[C@H]1CCS(=O)(=O)C1 1722359383 LZHURZNKTYPMOD-FQEVSTJZSA-N 466.523 2.118 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1Cc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1722359393 SNQLJWMZSPIVKP-IBGZPJMESA-N 461.563 2.011 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@]1(C)CCO[C@H]1C1CC1 1722375445 OPSXLAMQHOLJQN-DHLKQENFSA-N 481.622 2.473 30 10 JEEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H](C)O[C@H](C)C1 1722453885 FWIFAZHSSPKGCL-CALCHBBNSA-N 463.629 2.175 30 10 JEEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1722599119 UFHPWLSXFJQSOB-UHFFFAOYSA-N 471.650 2.441 30 10 JEEE C=CCCCn1c(-c2cnccn2)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1722614200 GDEXVVDKVCGCEF-WOJBJXKFSA-N 452.607 2.328 30 10 JEEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCC(S(=O)(=O)CC)CC1 1722697012 DJDXDXAUPIBXPT-UHFFFAOYSA-N 470.599 2.143 30 10 JEEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(C)c2ccccc2C1 1722702219 LKBAEHFJJBQPBK-UHFFFAOYSA-N 465.583 2.028 30 10 JEEE C=CCOc1ccccc1Cn1c(CN2CCCC2=O)nnc1N1CCC(CC(=O)NC)CC1 1722708221 MXEHSGLNMGYVJK-UHFFFAOYSA-N 466.586 2.366 30 10 JEEE C=CCOc1ccccc1Cn1c(N2CCNC(=O)[C@@H]2CC)nnc1[C@@]1(OCC)CCOC1 1722708343 QLDMJJKHSABCDK-YADARESESA-N 455.559 2.258 30 10 JEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](c2ccc(CC)cc2)C1 1722730630 XUABWDULDFTPKK-OAQYLSRUSA-N 487.626 2.142 30 10 JEEE CC[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)C#N)c1ccccc1 1727266607 HOFBHWXHEJSRDN-NLWGTHIKSA-N 460.604 2.401 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CC(F)(F)CO2)c1 1740562882 RUZDDUMNJQNKIO-GOSISDBHSA-N 495.490 2.406 30 10 JEEE C#CCN(c1nnc(CCCc2ccccc2)n1CCNC(=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1740625430 QNMHLSNROCGWDF-NRFANRHFSA-N 485.654 2.242 30 10 JEEE C#CCN(c1nnc(CCOc2ccccc2)n1CCN1CCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1740625997 UUVKMHOMURNYJS-NHCUHLMSSA-N 471.627 2.011 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1740682342 RSGJPNFZCIRCCG-QZTJIDSGSA-N 491.683 2.499 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2cc(F)ccc2OC)CC1 1740703031 DLLBHEPEGZEFGY-RUZDIDTESA-N 485.560 2.092 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)CC1 1740704224 KCYYFTLYNMZNEG-PMACEKPBSA-N 479.629 2.194 30 10 JEEE C#CCSCCn1c(COc2cc(C)ccc2C)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1740721688 QHTBBCUVMIKMQY-FQEVSTJZSA-N 472.636 2.467 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(OC)C1 1740850232 DJWMPPBEKYZWAC-LAUBAEHRSA-N 455.625 2.219 30 10 JEEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 1740863703 DJVRSPVOAMGIPU-WMZOPIPTSA-N 481.644 2.381 30 10 JEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc2c(c1)OCO2 1741002914 NFQPMAOTHXZDPS-INIZCTEOSA-N 450.586 2.465 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC1(N(C)C)CCCCC1 1741674341 CMTLZJJOFOMUNE-UHFFFAOYSA-N 479.633 2.274 30 10 JEEE CNC(=O)[C@@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)c2cccs2)C1 1748132181 BIXNLJSBVAZMGT-QHCPKHFHSA-N 463.567 2.271 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCSCc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1748802660 QTOWFBSFBVGVQM-HXUWFJFHSA-N 489.667 2.285 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(C)cc1C)[C@H]1CCS(=O)(=O)C1 1748804586 IVOWWWCCPPQPBP-URXFXBBRSA-N 472.611 2.222 30 10 JEEE C#CCN(c1nnc([C@@H](CC)c2ccccc2)n1CC(C)(C)C(=O)NC)[C@@H]1CCS(=O)(=O)C1 1748805954 YOOZPKCUUOFEAH-UXHICEINSA-N 471.627 2.219 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1C[C@@H](C)CNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1748821273 OBEUIFMFGQQGTJ-FUHWJXTLSA-N 465.620 2.018 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCCN(C)C(C)C)CC1 1749008619 FFRYWXDBBBIVHK-UHFFFAOYSA-N 490.612 2.290 30 10 JEEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1749115240 ODFIOMQQWBGULR-VJANTYMQSA-N 484.439 2.458 30 10 JEEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 1749223256 RZDILHMSPIOSGE-LJQANCHMSA-N 475.619 2.159 30 10 JEEE C=CCCOCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCO[C@@H](C(=O)NC)C1 1749454599 JNOSAGMBRNWYTN-HXUWFJFHSA-N 452.515 2.144 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)CC 1749552866 CBPRFBCXIKBLKL-YLJYHZDGSA-N 469.633 2.026 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC(Oc2cncc(Cl)n2)CC1 1749664133 GSSNKRMWGKFWEA-UHFFFAOYSA-N 454.922 2.134 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCc2cccc(C(=O)N(C)C)c2)C1 1749693411 IOBXRCBDTVPTHY-FQEVSTJZSA-N 454.575 2.142 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1ncc(Cl)n1C 1749727246 QZMWVNMZJDCUHD-UHFFFAOYSA-N 459.963 2.441 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CN(Cc2ccccc2)CCO1 1750060341 GOKNBKHFPOTESP-PZJWPPBQSA-N 474.569 2.422 30 10 JEEE N#C[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cccc(C(F)(F)F)n2)CCO1 1750386284 DTRJQRCSJCAUBS-AWEZNQCLSA-N 458.404 2.116 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCC1CCN(CC(F)(F)F)CC1 1760097155 ASWPLQKLIGSFHB-HUUCEWRRSA-N 464.558 2.011 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cccc(CS(C)(=O)=O)c1 1760098839 AMPVTYAQLBGAAQ-WZONZLPQSA-N 460.600 2.370 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1CC(=O)NC1CCCCC1)[C@H]1CCS(=O)(=O)C1 1760184212 GWPYWAJKSJFDLG-FQEVSTJZSA-N 469.611 2.329 30 10 JEEE C#CCN(CCOC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC[S@@](=O)CC 1760249097 HQGCHQZSYVRKPJ-YTTGMZPUSA-N 467.636 2.247 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2csc(C(C)(C)C)n2)CC1 1760268644 NSQJZHNEWSGINP-GOSISDBHSA-N 483.642 2.192 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1760526305 KNKKIHYPEORMKT-RUZDIDTESA-N 482.585 2.488 30 10 JEEE C=CCOc1ccccc1Cn1c(-c2cnn(C)c2)nnc1N1CCC(S(C)(=O)=O)CC1 1760531901 DKBVMQSXQKHUGF-UHFFFAOYSA-N 456.572 2.305 30 10 JEEE CC(=O)N1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCN/C(O)=C2/N=CC=CC2=O)[C@@H](C)C1 1760613276 VWOINCUGCJQYPI-GBWQBGJGSA-N 497.987 2.106 30 10 JEEE C[C@@H]1OCC[C@]12CN(c1nnc(-c3cccc(C#N)c3)n1CCS(=O)(=O)C(C)(C)C)CCO2 1763278991 HMZHHUKYUPARDO-SBUREZEXSA-N 473.599 2.414 30 10 JEEE O=C(CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)ON1C(=O)c2ccccc2C1=O 1772790219 LIVSUVWWHHORCS-UHFFFAOYSA-N 458.370 2.008 30 10 JEEE C=CCNC(=O)NS(=O)(=O)c1ccc(CCNC(=O)/C=C/c2ccc([N+](=O)[O-])s2)cc1 1858978684 OWEGJKMJCMYIJL-WEVVVXLNSA-N 464.525 2.202 30 10 JEEE C=CCN(CC=C)C(=O)[C@@](C)(CC)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 1862251684 ZKDUZRLRAUNCEV-JOCHJYFZSA-N 484.018 2.460 30 10 JEEE C=CCn1cc(OCC(=O)NC[C@@H]2CCCO2)c(=O)cc1CN1CCN(c2ccccc2F)CC1 1870541233 BVRDGQQDYLCONF-NRFANRHFSA-N 484.572 2.170 30 10 JEEE C=CCOc1cn(C[C@@H](C)O)c(CNc2ccc(C(=O)NCCN(CC)CC)cc2)cc1=O 1870811684 GRJHIIBWXOODRX-LJQANCHMSA-N 456.587 2.478 30 10 JEEE C=CCN(CC=C)c1nc(=NCCCOC)nc(Nc2ccc(N3CCN(C)CC3)cc2)[nH]1 1871654332 STTUXAWHIUZZCM-UHFFFAOYSA-N 452.607 2.416 30 10 JEEE C=CCn1c(C(=O)N2CCN(c3ccccc3OC)CC2)cc2c(NCCOCCO)ncnc21 1875230671 JMGFNNQJZSQWIM-UHFFFAOYSA-N 480.569 2.009 30 10 JEEE CC(C)N1C(=O)CS[C@@H](C(=O)N2CCN(c3ccc(N(C)C)nn3)CC2)[C@H]1c1ccc(C#N)cc1 1889627016 HOQOOZPZOBIDFI-DNQXCXABSA-N 493.637 2.157 30 10 JEEE CC(C)[C@H](C#N)CS(=O)(=O)N(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C 2006287811 OSZZUBWGUBMLAK-MRXNPFEDSA-N 462.613 2.463 30 10 JEEE C=C1C(=O)O[C@@H]2C=C(C)[C@H](OC(C)=O)CC=C(COC(C)=O)C[C@H](OC(=O)C(C)=CCO)[C@H]12 2054741111 HPWMABTYJYZFLK-YUMYIRISSA-N 462.495 2.096 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](Cc1ncns1)C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 2060779142 HWVITJLZVXDHEG-MSOLQXFVSA-N 456.572 2.210 30 10 JEEE C=CCC1(NC(=O)[C@@H]2[C@H](O)[C@H](O)CCN2C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)CC1 2200963984 NSMIYLBWDUAZCS-FGTMMUONSA-N 483.606 2.180 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N[C@@H]2[C@H](NC(=O)OC(C)(C)C)C[C@H]2OCC)C1 2255160694 SHKIXLKPGWSHPH-PPUIFIOYSA-N 451.564 2.480 30 10 JEEE CN(C)C(=O)CN(Cc1ccccc1)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2255943459 SZPJTLVFRYZOFD-UHFFFAOYSA-N 464.418 2.326 30 10 JEEE C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1sccc1B1OC(C)(C)C(C)(C)O1 2256626801 OCYILFOSFSSXNN-BBRMVZONSA-N 454.398 2.280 30 10 JEEE C[C@@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)[C@H](C)[C@H]1NC(=O)C(F)(F)F 2267155643 WVOISGGOMLXOHC-GYSYKLTISA-N 461.315 2.360 30 10 JEEE CC(C)(C)OC(=O)N[C@](C)(CO)CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1F 2267402726 DGNPMUOCQHDFDJ-QFIPXVFZSA-N 452.332 2.130 30 10 JEEE CC(C)(C)OC(=O)NC/C=C/CNS(=O)(=O)c1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2267470330 IVMFXKOGPNPWOA-CMDGGOBGSA-N 470.372 2.484 30 10 JEEE CCC[C@H](CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)c(C)nn1C)NC(=O)OC(C)(C)C 2267513830 RFZDPBGYSPKTRC-OAHLLOKOSA-N 450.389 2.451 30 10 JEEE C[C@H](NC(=O)c1nn[nH]c1NC(=O)OC(C)(C)C)c1nscc1B1OC(C)(C)C(C)(C)O1 2268622137 IBIMMBYMOHPRSF-JTQLQIEISA-N 464.357 2.398 30 10 JEEE CC(C)(C)OC(=O)N1[C@H]2CCC[C@H]1[C@@H](C(=O)N=c1nc(B3OC(C)(C)C(C)(C)O3)[nH]s1)C2 2277626184 BMGWAFBDVCAKOO-IHRRRGAJSA-N 464.397 2.376 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](NC(=O)c2cccc(F)c2B2OC(C)(C)C(C)(C)O2)C1 2281772390 JGGAYQPMSGYVAV-DLBZAZTESA-N 464.343 2.225 30 10 JEEE Cc1c(C(=O)N[C@@H]2[C@@H]3CCCN(C(=O)OC(C)(C)C)[C@H]32)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281803384 WJBXAMPMHISVTD-USXIJHARSA-N 460.384 2.155 30 10 JEEE CC(C)(C)OC(=O)NC[C@@]12CC[C@@H](CN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)C1)C2 2281978464 DEYSFECUMSJRID-CMJOXMDJSA-N 460.384 2.476 30 10 JEEE C[C@@H]1CCN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C[C@@H]1CNC(=O)OC(C)(C)C 2282030410 FREIFCNGCZEKHV-CVEARBPZSA-N 460.384 2.399 30 10 JEEE C[C@H](CNC(=O)c1occc1B1OC(C)(C)C(C)(C)O1)N1CCN(C(=O)OC(C)(C)C)CC1 2282038846 NUSQBBZFLDWCOS-MRXNPFEDSA-N 463.384 2.250 30 10 JEEE CO[C@@H]1C[C@@H](CNC(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)N(C(=O)OC(C)(C)C)C1 2282174796 SDZZGSPCJHDHHJ-ZWKOTPCHSA-N 461.368 2.135 30 10 JEEE CC(C)(C)OC(=O)NC[C@@]12CN(C(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)o3)C[C@H]1CCO2 2282200717 OIZRIQCZQROXHP-IQMFZBJNSA-N 462.352 2.335 30 10 JEEE CC(C)(C)OC(=O)N[C@]12C[C@@H]1CN(S(=O)(=O)c1ccc(F)c(B3OC(C)(C)C(C)(C)O3)c1)C2 2282503402 ZMVFWOUDADJYHC-PEBXRYMYSA-N 482.383 2.413 30 10 JEEE CCc1nc(C(=O)N2C[C@H](OC)[C@H](NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2282513963 XGSFAJVMBQNGIC-KGLIPLIRSA-N 481.424 2.369 30 10 JEEE CCn1cc(C(=O)N[C@@H]2CCOC[C@@H]2OCc2ccccc2)nc1B1OC(C)(C)C(C)(C)O1 2282537734 VMHIVGMMOCTPAF-QUCCMNQESA-N 455.364 2.306 30 10 JEEE Cn1cc(C(=O)N[C@@H]2CC[C@H]3CC[C@H]2N3C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2282580485 ULEOVDAGLUVPRM-USXIJHARSA-N 460.384 2.380 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N=[S@@](C)(=O)CCN(C)C(=O)OC(C)(C)C)n1 2282581260 FWAXZWBATMWRJW-XIFFEERXSA-N 484.428 2.307 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCOCC12CN(C(=O)OC(C)(C)C)C2 2282595521 VNRSDHMNUFFPGY-UHFFFAOYSA-N 479.408 2.213 30 10 JEEE Cn1nc(C(=O)N[C@@]23CCC[C@H]2CN(C(=O)OC(C)(C)C)C3)cc1B1OC(C)(C)C(C)(C)O1 2282626707 DGEHMSWKABKSNN-NPMXOYFQSA-N 460.384 2.239 30 10 JEEE Cc1cc(C(=O)N2C[C@@H](NC(=O)OC(C)(C)C)C[C@@H](O)C2)ccc1B1OC(C)(C)C(C)(C)O1 2282697110 MDNLWHPJFOHXQQ-ZWKOTPCHSA-N 460.380 2.394 30 10 JEEE CS[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282832554 APDXFMXOAQOULL-SJORKVTESA-N 499.464 2.010 30 10 JEEE CC(C)(C)OC(=O)NC1CCN(CC(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)CC1 2283960588 ZJKSXSUORNCHBE-UHFFFAOYSA-N 460.384 2.308 30 10 JEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)s2)[C@H]1OC 2284042921 WPZNYIKYOHALFK-YUELXQCFSA-N 483.396 2.030 30 10 JEEE C[C@@H](OCc1ccccc1)[C@H](NS(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)O 2284416680 ATGHLFIZRONQNO-UZLBHIALSA-N 475.372 2.323 30 10 JEEE CN(C(=O)OC(C)(C)C)[C@H]1CN(C(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)CC1(C)C 2361506879 SLEMTCSKWZBWDI-INIZCTEOSA-N 462.400 2.437 30 10 JEEE CCCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@@H](CNC(=O)OC(C)(C)C)OC 2365477579 ONLSJYNSYTVLRG-KRWDZBQOSA-N 465.400 2.467 30 10 JEEE Cc1c(C(=O)N(C)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2F)c(B2OC(C)(C)C(C)(C)O2)nn1C 2369669791 MUHGQQPSAOGJKB-HUUCEWRRSA-N 466.363 2.057 30 10 JEEE C=CCN1C(=O)/C(=C\c2c(N3CCC(C(N)=O)CC3)nc3ccc(C)cn3c2=O)SC1=S 33444782 AOOOCSRKHXGUGD-LFIBNONCSA-N 469.592 2.092 30 10 JEEE C=CCn1c(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)nnc1-c1ccc([N+](=O)[O-])cc1 59792355 PHECDILSRMGYDL-UHFFFAOYSA-N 474.524 2.418 30 10 JEEE C=CCN(C(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)c1nc(C(=O)OCC)cs1 920243466 QVBZFLIFZSEBJZ-UHFFFAOYSA-N 483.543 2.313 30 10 JEEE C#CCN(CC(=O)N1C[C@H](C)O[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1)C(=O)OC(C)(C)C 1176852757 LMNZJWWFTNQRED-GAJHUEQPSA-N 451.564 2.484 30 10 JEEE CCCS(=O)(=O)Nc1ccc(S(=O)(=O)N2CC(Oc3ccc(C#N)cc3)C2)c(F)c1 1189039771 DORGPUCJDFUARF-UHFFFAOYSA-N 453.517 2.301 30 10 JEEE COc1ccc(OC)c2c1CN(C(=O)N[C@H]1CCCN(c3ccc(C#N)cc3)C1=O)C[C@@H]2O 1234023200 FMFQAOXVCWMTEL-OALUTQOASA-N 450.495 2.330 30 10 JEEE C#C[C@H](NC(=O)N1CCN(CC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1)[C@H]1CCCO1 1234626009 IQCOOWKMWKVBEG-ZWKOTPCHSA-N 454.449 2.032 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2CCN2CCOCC2(C)C)CC1 1286488228 XAGWYKGYDLGYHZ-UHFFFAOYSA-N 480.613 2.030 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@H]2COCCO2)CC1 1286495466 WSWFOGBBAUSCBD-FQEVSTJZSA-N 469.611 2.260 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1286547739 PXQJYSPWBSMREC-FYYLOGMGSA-N 487.693 2.392 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(C(=O)NC)cc1 1286556434 PFPATXQOMNCFCK-ZJOUEHCJSA-N 452.559 2.206 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nc(C)c(C)s1 1286582548 ZBTBLAKMRFCTQN-INIZCTEOSA-N 454.622 2.135 30 10 JEEE C=CCN(CC=C)c1nnc(-c2cc(Br)cn2C)n1CCS(=O)(=O)N(C)C 1286754813 VFVYYGMAFKLGNQ-UHFFFAOYSA-N 457.398 2.116 30 10 JEEE C=CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(=O)N(C)C2CCCCC2)CC1 1286776492 BQLKJHNWLIGDNP-UHFFFAOYSA-N 454.623 2.239 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1286790060 NIENMPCNFSHKKC-SFHVURJKSA-N 494.600 2.264 30 10 JEEE C=CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1286832722 NSDOMVRHXZSMGZ-OALUTQOASA-N 485.676 2.070 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1Cc1cccnc1OCC(F)(F)F 1288802058 BBTKZMCLIBESCN-ZDUSSCGKSA-N 487.508 2.013 30 10 JEEE CCC(CC)c1cc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@@H](C)CC#N)on1 1291976631 DEVXZLCWPFCYDK-HNAYVOBHSA-N 479.607 2.289 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H]1CCCCS1(=O)=O 1300304403 NOVHCBUTXLBSIO-IAGOWNOFSA-N 468.583 2.100 30 10 JEEE C#CCCCn1c(COc2ccccc2OC)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1300423034 FYMZTLHXBKEKRI-UHFFFAOYSA-N 466.586 2.024 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1CCCOC)[C@@H]1CCS(=O)(=O)C1 1300488907 HYGTXFHVBVAOME-MRXNPFEDSA-N 452.964 2.270 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCc1cccc(C)n1)[C@H]1CCS(=O)(=O)C1 1300493130 QTBGKBDAEHEAIQ-FQEVSTJZSA-N 450.568 2.221 30 10 JEEE C#CCN(c1nnc(COCC)n1CCc1ccc(F)cc1Cl)[C@H]1CCS(=O)(=O)C1 1300503905 HEJUYVWMQHFOLX-KRWDZBQOSA-N 454.955 2.477 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H](Cc2ccccc2)OC)CC1 1300685417 NHGUCSQOLCDFNI-BVAGGSTKSA-N 467.614 2.332 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc(F)c(COC)c2)CC1 1300685456 OJULDNYYERSKPR-VWLOTQADSA-N 471.577 2.408 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CCCc2c[nH]nc2C)CC1 1300729123 NOQNUYPJKAMSLX-UHFFFAOYSA-N 466.615 2.264 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2CC2=CCCOC2)CC1 1300730886 GGFLPKXKYANUEK-UHFFFAOYSA-N 453.518 2.309 30 10 JEEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1300760540 DHCQRTGIBLEVGQ-LJQANCHMSA-N 454.604 2.126 30 10 JEEE C=C(C)COCCn1c(COc2ccc(Br)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1301000573 UESCFRPXIDVSOA-QGZVFWFLSA-N 491.390 2.426 30 10 JEEE C=C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCNS(=O)(=O)Cc2ccon2)CC1 1301074632 FFWHBFWUJBOWRV-UHFFFAOYSA-N 488.570 2.226 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@@H](c2nccs2)C1 1301483198 KDFAISSGSSHNAH-OAHLLOKOSA-N 492.403 2.383 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C(F)(F)F)C2)cc1 1301517565 ANAPDNKOUGAWFY-RHSMWYFYSA-N 489.520 2.269 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@H](Cn3cc(C)cn3)C2)cc1 1301520664 LCWYBKYPBAVMMO-QFIPXVFZSA-N 479.585 2.440 30 10 JEEE C=CCOc1ccccc1Cn1c(COCC)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1301531316 IXSSPTSHHWZWHH-OAQYLSRUSA-N 455.559 2.255 30 10 JEEE COCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 1301830318 HWWWEFGWKAFMMG-HXUWFJFHSA-N 458.588 2.294 30 10 JEEE C#CCNS(=O)(=O)N1CCN([C@H](C)C(=O)Nc2ccccc2Sc2ccccc2)CC1 1307649232 AZTAYMOWQYLOII-GOSISDBHSA-N 458.609 2.250 30 10 JEEE C=CCn1ncc2ccc(NC(=O)N3CCN(C(=O)OC(C)(C)C)[C@H]4CS(=O)(=O)C[C@H]43)cc21 1311252189 KLAZICKCUQOHSB-MOPGFXCFSA-N 475.571 2.473 30 10 JEEE CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1313497609 GXTNYVQAJITBGC-OAQYLSRUSA-N 491.600 2.380 30 10 JEEE CCN1CCN(CCCn2c(C(=O)Nc3ccccn3)nnc2N(C)Cc2ccc(C#N)cc2)CC1 1313959965 CTJJUUTYUIWOAK-UHFFFAOYSA-N 487.612 2.461 30 10 JEEE C#CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(CCOC)[C@H](C)C1 1358910744 ZKKVZOHZYCVVLX-LJQANCHMSA-N 473.647 2.199 30 10 JEEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCN1CCCO[C@H](C)C1 1358949313 YIZKGQFLPNIZHR-HXUWFJFHSA-N 452.607 2.022 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@H](CC)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1358961032 QOEAWISTLDWUKE-GHTZIAJQSA-N 452.584 2.499 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCn2ccnc2C1 1358979183 FPRSWWOXMXANEI-VQTJNVASSA-N 479.585 2.118 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CC2CN(C(=O)OC(C)(C)C)C2)CC1 1359044994 TXHAEECXMMIKHW-FQEVSTJZSA-N 486.617 2.005 30 10 JEEE C#CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC[C@H](CNC(C)=O)C1 1359055029 QFMGYLPYBIZFSB-LJQANCHMSA-N 493.637 2.394 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(OC(C)(C)C)CC1 1359298972 QNCDSCMALUDYHF-UHFFFAOYSA-N 479.585 2.278 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccc(C[S@@](C)=O)cc1)[C@H]1CCS(=O)(=O)C1 1507623055 OHUOJXZAQIXDDP-WWOZWPLTSA-N 462.641 2.129 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1CCOCCOC)[C@H]1CCS(=O)(=O)C1 1507629054 RHTBFMPQBTXXCS-INIZCTEOSA-N 470.954 2.027 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Cl)n1Cc1cnn(CC)c1)[C@H]1CCS(=O)(=O)C1 1507630132 UERQLXUJZNBZDG-KRWDZBQOSA-N 458.975 2.490 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCC[C@@H]1OC)[C@H]1CCS(=O)(=O)C1 1507634420 KHEUWBQNMNUTDF-WDSOQIARSA-N 463.629 2.076 30 10 JEEE C#CCN(c1nnc(COCC)n1Cc1ccc(N2CCSCC2)cc1)[C@H]1CCS(=O)(=O)C1 1507637212 IRJHXTZVOFZWHX-NRFANRHFSA-N 489.667 2.043 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(Br)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1507643091 GXBUNIYLRAQWMN-INIZCTEOSA-N 476.400 2.062 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)s3)n2CC[C@H]2COCCO2)CC1 1507720971 OJYUXVOPWXPMCG-HNNXBMFYSA-N 466.405 2.330 30 10 JEEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1507747140 FNHBYIWTWJJKKU-HSZRJFAPSA-N 490.651 2.489 30 10 JEEE C#CCSCCn1c(-c2ccc(F)cc2Br)nnc1N1CCN2C(=O)NC[C@H]2C1 1507748800 MQRXDYWWGZKJII-AWEZNQCLSA-N 479.379 2.427 30 10 JEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cc(F)ccc2F)CC1 1507966632 AKJHKQBVSYVRDZ-KRWDZBQOSA-N 481.569 2.378 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](c2ccc(F)cc2Cl)C1 1508070701 BHAINTQMAVISQS-QGZVFWFLSA-N 464.929 2.089 30 10 JEEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)CC1CC(F)(F)C1 1508080004 HBKADXHGDWEWFT-UHFFFAOYSA-N 467.546 2.022 30 10 JEEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1508148962 ZIYXFMYFCHIZPB-UHFFFAOYSA-N 492.609 2.270 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1CN1CCOCC1 1509938383 GNZCAKIPPLQMDZ-IBGZPJMESA-N 451.575 2.133 30 10 JEEE CCN1CCN([C@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(C(C)C)CC2)CC1 1515890759 BGPRKUSZZLCYKQ-OAQYLSRUSA-N 450.635 2.373 30 10 JEEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1CCC[C@H](O)C1 1539416501 OQPAAKADFVCIEL-FPOVZHCZSA-N 453.591 2.089 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2Cc2ncccc2N(C)C)CC1 1539482575 NBZBPNQVNBOKMF-UHFFFAOYSA-N 475.572 2.483 30 10 JEEE C=CCCOCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@H](NC(C)=O)C1 1540019855 DSFCMGAWRIVWTR-IBGZPJMESA-N 489.646 2.244 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C(C)(C)O)c1 1540171184 WMKDFHXLNFTKPR-FQEVSTJZSA-N 475.615 2.065 30 10 JEEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 1540855023 UOIIKCCKMDMVBC-SFHVURJKSA-N 487.586 2.466 30 10 JEEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)Cc2ccccc2C)CC1 1540914897 FRDHDAYVVIARJD-FQEVSTJZSA-N 468.627 2.348 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@](C)(O)[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1588041532 XJIQHFPHNOFMPX-GGUMNFRJSA-N 490.626 2.386 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Cl)n1CCC(=O)NCCC)[C@@H]1CCS(=O)(=O)C1 1588044948 DGHDDPBTOGXUMW-MRXNPFEDSA-N 463.991 2.142 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H](C)N2CCC[C@H](C)C2)CC1 1588751062 IFOOWIKSEAMYSW-HWBMXIPRSA-N 458.651 2.194 30 10 JEEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](C)COCc2ccccc2)CC1 1588865289 RWPXQVICJPHWGX-OAQYLSRUSA-N 450.587 2.009 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2Cc2cnn(C)c2)CC1 1588947167 LWQKWAMOMXUQHO-UHFFFAOYSA-N 451.962 2.270 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H](COC)OC 1589164426 URGJFILXNLNBSO-VGOFRKELSA-N 460.604 2.200 30 10 JEEE C=C(Br)Cn1c(Cc2ccncc2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1589427310 HHBRPEYVNVZCMD-QGZVFWFLSA-N 483.436 2.280 30 10 JEEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1594669479 YCEDOMCWHZATOI-NHCUHLMSSA-N 471.650 2.107 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N(C)Cc1csc(Br)c1 1595466838 NJDUWTKKPRPOHI-UHFFFAOYSA-N 455.382 2.179 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccoc1 1595659483 ZSOINPUNSVTXCZ-NRFANRHFSA-N 487.582 2.454 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC(CC(N)=O)CC1 1595766416 QBUPPPFNRZQCGQ-UHFFFAOYSA-N 483.598 2.028 30 10 JEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CC[C@H](c2ccc(OC)cc2)C1 1595822959 KLISJNXGLBURDE-IBGZPJMESA-N 473.599 2.004 30 10 JEEE C=CCSCCn1c(C2CCC2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1595879329 VWQPCLCCPJJHLZ-SFHVURJKSA-N 455.650 2.096 30 10 JEEE C=CCSCCn1c(COc2ccc(C)cc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1595901371 VPMGRHIHWFHZCT-UHFFFAOYSA-N 486.642 2.258 30 10 JEEE Cn1cnnc1[C@H]1CCCN1c1nnc(COc2ccc(C#N)cc2)n1CCNC(=O)C(C)(C)C 1618455123 HLEYFTKTNWPIBT-LJQANCHMSA-N 477.573 2.361 30 10 JEEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)n[nH]c2C)C1 1627264577 NCDUYXOUBQEELG-QGZVFWFLSA-N 450.561 2.117 30 10 JEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCCN(Cc3ccc(OC)cc3)C(=O)C2)c1 1633464147 OLEQEUYSAGRTJN-UHFFFAOYSA-N 454.548 2.367 30 10 JEEE C=CCn1c(COc2ccc(C)cc2)nnc1S[C@H](C)C(=O)N[C@@H]1CCS(=O)(=O)C1 1651887376 PMDMALCVRKJGOE-HZPDHXFCSA-N 450.586 2.135 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(COCC(F)(F)F)cc1 1689826867 VYXUYORCOUSLTM-CABCVRRESA-N 473.521 2.473 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1CC[C@]2(CCOC2)O1 1689999935 NAKXFNCOAPZFIU-HYBUGGRVSA-N 467.957 2.272 30 10 JEEE C#CCN(CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC1(N(C)C)CCOCC1 1690082707 LKSBTJPNPSGBNL-UHFFFAOYSA-N 479.673 2.213 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H](C)CN2CCN(CC)CC2)CC1 1690126242 XAKIDVFMEGPTTR-QFIPXVFZSA-N 467.637 2.037 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 1690313298 PRNNZJPEQUMQLG-ROUUACIJSA-N 483.635 2.124 30 10 JEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)N1CCC[C@H](C)C1)C1CC1 1690545647 VYDRCSDWJWWNGG-AZUAARDMSA-N 480.679 2.276 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1690720113 ZKWLETWTSLFFNH-UHFFFAOYSA-N 499.641 2.000 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1691003367 GKLCZUCGNKKZDC-DXIQSLLYSA-N 481.601 2.329 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(OC)c(OC(F)F)c1 1705495037 JYTSKYSEJNGUMB-ZBFHGGJFSA-N 468.526 2.491 30 10 JEEE C#C[C@H](C)N(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 1705495766 UZDMRZJCKKHPID-XCDZQEORSA-N 477.631 2.141 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2C[C@@H]2CCCCS2(=O)=O)c1 1705507671 IDESPCVAGVITOV-QFIPXVFZSA-N 492.605 2.287 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1CCOc1ccc2c(c1)OCO2)[C@H]1CCS(=O)(=O)C1 1705561114 QDJBOLRYEHOAEJ-INIZCTEOSA-N 460.556 2.010 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CN(Cc2ccccc2)CCO1 1705603694 UALGVBAYOANWHW-GVAUOCQISA-N 477.609 2.366 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@]1(O)CCN(C)C1 1705619698 ZCJAIEBUMXKBQM-RPBOFIJWSA-N 471.577 2.164 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)ccc3Br)n2C[C@H](C)N(C)C)CC1 1705633991 FEPAKUVQXGNVHB-INIZCTEOSA-N 461.408 2.422 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2Cc2ccccc2OCCOC)CC1 1705649168 MVOUMSPFRGLHQG-UHFFFAOYSA-N 474.565 2.379 30 10 JEEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1705735548 AIRUXRLHDPQZQA-QGZVFWFLSA-N 459.551 2.058 30 10 JEEE C=C(C)COCCn1c(COc2ccc(Cl)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1705739277 ANVFWZFLEBORQD-UHFFFAOYSA-N 469.995 2.185 30 10 JEEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)N2CCCC2)CC1 1705832423 XAQXUENRLHCAEJ-UHFFFAOYSA-N 456.595 2.070 30 10 JEEE C=CCOc1ccccc1Cn1c(C)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1705912500 LYYYWOIILPFUEI-UHFFFAOYSA-N 466.586 2.140 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)C1 1705929208 LJSOOKSBCJVFIL-SLFFLAALSA-N 460.623 2.070 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CC[C@H](C(=O)N(C)c2ccccc2)C1 1705932402 SQAXOHWRZVHYPC-FQEVSTJZSA-N 480.594 2.430 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCNC(=O)c2cccs2)CC1 1722432867 HSUHXCDGSRGXAB-UHFFFAOYSA-N 488.415 2.282 30 10 JEEE C#CCN1CCN(c2nnc(CC(C)(C)C)n2Cc2ccccc2CN2CC[C@H](O)C2)CC1 1722437394 MGKPLTGRYHDQLE-QHCPKHFHSA-N 450.631 2.237 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC2(COC)CCOCC2)CC1 1722443454 SRCAHRWSZCZHRP-UHFFFAOYSA-N 487.004 2.403 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@@](C)(O)c2cc(C)oc2C)CC1 1722446523 ZJZWFPIXIVTJIC-RUZDIDTESA-N 462.554 2.423 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccccc2Br)CC1 1722449811 PLBJJEWTOZRDLI-UHFFFAOYSA-N 499.413 2.177 30 10 JEEE C=CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1722606745 TYCJAFWSIGLMPT-INIZCTEOSA-N 471.587 2.099 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@]1(OC)CCOC1 1722654545 PRLJCOFVUAPEBL-WMZHIEFXSA-N 476.599 2.187 30 10 JEEE C=CCn1c(-c2cc(Br)cn2C)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1722682550 RWVYHBRVMHQJOR-LJQANCHMSA-N 462.352 2.047 30 10 JEEE COCC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)N(C)C2CC2)CC1 1730420991 GBAHOUUKEJCLCI-KRWDZBQOSA-N 451.575 2.031 30 10 JEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1740582506 OGRJQLWKSPNSDZ-YADARESESA-N 487.626 2.383 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1740616701 FOYNBFMGQHXLDG-NVJIOZQYSA-N 464.632 2.382 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@H](C)COCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1740621610 OCAIGPHXCVSOAQ-SIKLNZKXSA-N 482.610 2.158 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1CCCCNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1740621739 OPWPYQUCMDVTNW-IBGZPJMESA-N 488.614 2.272 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@H](CC)Oc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1740621741 OQHXZGZMAABYMS-MOPGFXCFSA-N 486.573 2.302 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@H]1CCCN1S(C)(=O)=O 1740648665 JNCXZRJUWYQRAF-RBUKOAKNSA-N 473.574 2.444 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccn3C)n2Cc2ccnc(OCC(F)(F)F)c2)CC1 1740694050 WQJVATOURYJSLA-UHFFFAOYSA-N 459.476 2.423 30 10 JEEE C#CCSCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)C[C@H](C)C(=O)NC 1740715435 JDOQEFQBHGFBTF-KRWDZBQOSA-N 481.626 2.421 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCc1ccccc1[N+](=O)[O-] 1740717114 KBEZMOWJKCUHKJ-KRWDZBQOSA-N 463.585 2.134 30 10 JEEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 1740721160 YTISCHMKUMMMPO-UHFFFAOYSA-N 495.697 2.447 30 10 JEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)OCc2ccccc2)CC1 1740795880 HHGVIIARDTUCON-UHFFFAOYSA-N 482.585 2.452 30 10 JEEE C=C1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC(=O)N2CCOCC2)CC1 1740829776 JTZBAOQBHILUOV-HDICACEKSA-N 460.579 2.064 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1N1CCCCC1 1748672300 RQIDVURVCDHUQR-UGKGYDQZSA-N 486.642 2.108 30 10 JEEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)Nc2ccccc2CC)CC1 1748758211 WDGNNJNSPFKFLK-UHFFFAOYSA-N 477.613 2.137 30 10 JEEE C#CCN(c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCCOCC)[C@H]1CCS(=O)(=O)C1 1748809255 QWAVKGLNLQGVSG-IBGZPJMESA-N 468.583 2.389 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCc2cc(OC)ccc21 1748962113 AFRLVXMLRJOYHK-UXHICEINSA-N 472.611 2.395 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)c1cc(OC)c(OC)c(OC)c1 1749039260 RQLZLSNCHWJLFM-HNNXBMFYSA-N 480.612 2.340 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 1749228567 BJWNYYDNXNMCQP-RTBURBONSA-N 481.663 2.152 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(N(C)C)c(F)c1)C1CC1 1749519225 GXPINVOTXMLXKL-FQEVSTJZSA-N 478.594 2.019 30 10 JEEE C=CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCC[C@]2(CCOC2)O1 1749589910 MBGMBWJKAQRCGB-WZONZLPQSA-N 456.547 2.292 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CC[C@H](C(N)=O)C1 1749651041 MKHWCAKRFXIBSY-CVEARBPZSA-N 460.966 2.302 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(c2ncccc2C#N)CC1 1749658201 LSTCYYKYHKVJQQ-UHFFFAOYSA-N 462.945 2.494 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1749663429 DYYKBRZALHCGDR-LJQANCHMSA-N 476.585 2.176 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC[C@@H]2COCCO2)C1 1749712331 IHDMXCLEEIWZJT-VAMGGRTRSA-N 493.605 2.173 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN2C(=O)CC[C@@H]2C1 1749726731 CGCBDISEYOCQEE-MRXNPFEDSA-N 479.990 2.019 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H]1CCOc2ccccc21 1760115655 BDQWWBBCOYABCV-WAOWUJCRSA-N 473.599 2.025 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@]2(O)CCCC2(C)C)c1 1760128425 HTWCMFDBUSRCEC-CLOONOSVSA-N 499.637 2.178 30 10 JEEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)COc2ccc(F)cc2)CC1 1760162031 WDCZOUQNKXISDK-CVDCTZTESA-N 485.560 2.282 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H](C2CCCCC2)N(C)C)CC1 1760257386 VMEJYLTYLFIWKA-DHLKQENFSA-N 458.651 2.196 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2cc(F)ccc2F)CC1 1760265451 BJNDQNBOMPGLFM-XMMPIXPASA-N 473.524 2.223 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)C1CCN(CCC)CC1 1760519926 UXEKMIJGFJROQB-UHFFFAOYSA-N 454.575 2.329 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cn(C)c3ccccc23)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1760552524 QUURUBWPLNPGLY-IRXDYDNUSA-N 493.655 2.295 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1760555717 LHDFUCIXPQQROR-SFTDATJTSA-N 471.583 2.222 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@](F)(C#N)C1 1760557960 BOEBNAFGVGEEFF-KKSFZXQISA-N 482.582 2.393 30 10 JEEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ncnn1C(C)(C)C 1767063367 CKVJNRGSCCXMGZ-SFHVURJKSA-N 468.587 2.083 30 10 JEEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@H](C)CN1CCCCC1 1767941475 CTNSTCSLFFJXNC-WOJBJXKFSA-N 467.622 2.313 30 10 JEEE COc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@H]2CCCCS2(=O)=O)cc1OC 1768495475 GRYJQQSQJUZZJK-IIBYNOLFSA-N 463.535 2.372 30 10 JEEE COc1ccc(OC)c(NC(=O)[C@@H](CO)NC(=O)C2CCN([C@H](C#N)c3cccs3)CC2)c1 1866866451 HSEDATFFQKZGCG-RTBURBONSA-N 472.567 2.158 30 10 JEEE C=CCN(CC=C)c1nc(NC(=O)[C@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2)n(C)n1 1870003833 MPRBLCZGHCAUCU-SFHVURJKSA-N 468.558 2.040 30 10 JEEE CCOc1ccc(OCC(=O)Nc2c(C#N)nnn2Cc2cc([N+](=O)[O-])cc3c2OCOC3)cc1 1870110418 QAIDXFBDIHNXQJ-UHFFFAOYSA-N 480.437 2.389 30 10 JEEE C=CCn1cc(OCC(=O)N(C)C[C@@H]2CCCO2)c(=O)cc1CN1CCN(Cc2ccccc2)CC1 1870548021 RSZDFXGTSDMFNH-VWLOTQADSA-N 494.636 2.368 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)Nc2ccc(OC)cc2)cn1CCNC(C)=O 1870738229 BHLUNCIKTVHBEY-UHFFFAOYSA-N 468.554 2.185 30 10 JEEE CCOc1c(Br)cc(/C=N/n2c(CNC(C)=O)nnc2SCCO)cc1OC 1874436377 YAQZGHWELVBPFP-AWQFTUOYSA-N 472.365 2.051 30 10 JEEE CC1(C)OB(CC2CN(S(=O)(=O)C[C@](C)(F)CN3C(=O)c4ccccc4C3=O)C2)OC1(C)C 2000542482 KHZOVOZWDQIJMI-JOCHJYFZSA-N 480.367 2.365 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]1C(=O)NCCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2180983209 AYANQMUSCTZBMY-RTBURBONSA-N 460.380 2.327 30 10 JEEE Cn1cc([C@H](NC(=O)OC(C)(C)C)C(=O)N2CC[C@H]3C[C@@]3(B3OC(C)(C)C(C)(C)O3)C2)nn1 2194130926 VTCHKDKNQWCQPX-KHJUTWJGSA-N 461.372 2.466 30 10 JEEE C=C(CS(=O)(=O)N[C@H]1[C@@H](OCC)C[C@H]1NC(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2255796181 MRVFNOJIVAHHSG-OWCLPIDISA-N 460.402 2.164 30 10 JEEE Cc1nc(NC(=O)[C@H]2CSCN2C(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2256623890 IAAMCEYFCVGPAA-CQSZACIVSA-N 450.370 2.333 30 10 JEEE Cc1sc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2O)cc1B1OC(C)(C)C(C)(C)O1 2267118345 JWCLZAYJJHWYOT-HZPDHXFCSA-N 466.409 2.456 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C1 2267132915 WDCWZLIQRYLNIS-PWSUYJOCSA-N 461.315 2.280 30 10 JEEE Cc1sc(C(=O)N2C[C@H](O)C[C@@H](NC(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2267541943 KWZZAHDBAVCDPL-HUUCEWRRSA-N 466.409 2.456 30 10 JEEE CN(CCNS(=O)(=O)c1c(F)cc(F)cc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2267720673 BTYVCGXPVBSTMY-UHFFFAOYSA-N 476.351 2.409 30 10 JEEE C=C(CS(=O)(=O)NCC1(CO)CCN(C(=O)OC(C)(C)C)CC1)B1OC(C)(C)C(C)(C)O1 2267727274 VBCWFDXGYJQLHR-UHFFFAOYSA-N 474.429 2.103 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](NC(=O)c2cccc(Cl)c2B2OC(C)(C)C(C)(C)O2)C1 2267915034 RYWONUHPJCJXGN-HOTGVXAUSA-N 466.771 2.349 30 10 JEEE C[C@@H](NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1)c1nscc1B1OC(C)(C)C(C)(C)O1 2268633298 RMUOFPMWWAPANG-UKRRQHHQSA-N 467.397 2.255 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCN(CC(=O)NCc2sccc2B2OC(C)(C)C(C)(C)O2)C1 2268636274 BEJODFFUVYFQHQ-OAHLLOKOSA-N 465.425 2.263 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2CC[C@]2(NC(=O)OC(C)(C)C)C1 2281968730 FSUXBDSACMZNBR-WNSKOXEYSA-N 460.384 2.332 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@]2(CF)CCN(C(=O)OC(C)(C)C)C2)n1 2281996218 MCPWLAKJAKFMRL-JOCHJYFZSA-N 466.363 2.281 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C1 2282006851 YYPGQUFDZAIVGN-OAHLLOKOSA-N 462.400 2.403 30 10 JEEE CN([C@H](CNC(=O)OC(C)(C)C)C1CC1)S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282423793 SYUTVCKITBZBKV-GOSISDBHSA-N 481.424 2.305 30 10 JEEE CN(CC1CCN(C(=O)OC(C)(C)C)CC1)C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2282614344 RQLLZNMIESIIJC-UHFFFAOYSA-N 460.384 2.495 30 10 JEEE CC(C)(C)OC(=O)Nc1cncc(CNC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)c1 2282615284 XSSAVXVHKTUKPD-UHFFFAOYSA-N 455.324 2.448 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)[C@@H](CO)C1 2282653054 BVRQHFRIZMOSSP-VQIMIIECSA-N 460.380 2.334 30 10 JEEE CN(CCOCCN(C)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1)C(=O)OC(C)(C)C 2282670746 LHWXBDYQKFFRRO-UHFFFAOYSA-N 463.384 2.336 30 10 JEEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC12CCN(C(=O)OCc1ccccc1)CC2 2282698585 CKAHPMIDVCQQRC-UHFFFAOYSA-N 495.389 2.132 30 10 JEEE C[C@H]1CC[C@H](NC(=O)C(F)(F)F)CN1C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1O 2282816146 IREIJVYVXWJDMC-JSGCOSHPSA-N 456.270 2.363 30 10 JEEE Cc1nc(NC(=O)c2nn(C)cc2NC(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2283951950 ZWKJRTVJLPDJBA-UHFFFAOYSA-N 458.328 2.417 30 10 JEEE CN(Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)[C@H]1COC[C@@H]1NC(=O)OC(C)(C)C 2283962527 IKPCXBXGZKYZHY-OALUTQOASA-N 460.380 2.484 30 10 JEEE CC(C)(C)OC(=O)N[C@H](C(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)ccc1F)C(C)(C)O 2284051915 UGQJFMSAOLHOQA-QGZVFWFLSA-N 466.359 2.405 30 10 JEEE C[C@H]1O[C@]2(C(=O)NCc3cnc(B4OC(C)(C)C(C)(C)O4)s3)C[C@@]1(NC(=O)OC(C)(C)C)C2 2284123864 FBTKNTYSNBNMGQ-NBQKENEESA-N 479.408 2.273 30 10 JEEE C=CCN(CC(=C)B1OC(C)(C)C(C)(C)O1)C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 2284126832 UDKHKGPZLPZCPO-KRWDZBQOSA-N 484.424 2.223 30 10 JEEE CCCOC(=O)CSc1nnc(C)n1N=Cc1ccc(OCCN2CCOCC2)c(OC)c1 2321202262 DZYLHSSBVLRGJH-UHFFFAOYSA-N 477.587 2.234 30 10 JEEE COc1ccc(N2C[C@H](c3nnc(SCC(N)=O)n3N=Cc3ccccc3F)CC2=O)cc1 2325880797 YFZNINDVUJXSGH-OAHLLOKOSA-N 468.514 2.406 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2C[C@@H]3[C@@H]2CCN3C(=O)OC(C)(C)C)n1C 2362485733 FIFLGJPYRHKYQN-BZUAXINKSA-N 460.384 2.155 30 10 JEEE COc1nc(O[C@@H]2CN(C(=O)OC(C)(C)C)[C@@H]3COC[C@@H]23)ccc1B1OC(C)(C)C(C)(C)O1 2365374784 MYVWKVMPEIFBKL-DJIMGWMZSA-N 462.352 2.403 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@H]2C[C@@H](NC(=O)c3cnsc3B3OC(C)(C)C(C)(C)O3)C[C@@H]21 2369093099 RPRAITJJKNQGPR-CWRNSKLLSA-N 479.408 2.339 30 10 JEEE CC1(C)OB(c2cccc(CS(=O)(=O)N[C@@H](CCO)COCc3ccccc3)c2)OC1(C)C 2369618838 OLVOTVNGRBRWNY-QFIPXVFZSA-N 475.416 2.373 30 10 JEEE Cc1nnc(CSc2nnc(NC(=O)CSc3n[nH]c(N/N=C/c4ccco4)n3)s2)o1 20832977 ZZFHQNOVSOIOCF-FZSIALSZSA-N 478.545 2.410 30 10 JEEE COc1ccc2nc(NC(=O)CSc3nnc(N/N=C/c4cccc(O)c4)n3N)sc2c1 20915759 LVKWURLBPJDEIX-ZVBGSRNCSA-N 470.540 2.493 30 10 JEEE COc1cc(-c2cc(C(=O)N3CCC[C@@H](Oc4nccnc4C#N)C3)[nH]n2)cc(OC)c1OC 238810566 AEVXSBXJVDPYEV-OAHLLOKOSA-N 464.482 2.448 30 10 JEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3c(C)noc3C)C2)cc1 500496074 JZTBWIPCZSHNEC-KRWDZBQOSA-N 496.611 2.137 30 10 JEEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)c1ccc(CN2C(=O)CNC2=O)cc1 857440618 AISWIOZDXZSKHM-MRXNPFEDSA-N 464.478 2.239 30 10 JEEE CC(C)NS(=O)(=O)c1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)ccc1F 1126947770 BVISSFMQZVSDJX-OAHLLOKOSA-N 454.524 2.097 30 10 JEEE C=C[C@@H]1OCCC[C@H]1NCC(=O)NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 1194497877 VFHTVYPLMJXNGM-KZZLEIPFSA-N 475.592 2.056 30 10 JEEE C#CCN(c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCC(C)C)[C@H]1CCS(=O)(=O)C1 1286382831 KOSSLTIWUUMELO-SFHVURJKSA-N 492.671 2.219 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@@H]1CCC[C@H](O)C1)[C@@H]1CCS(=O)(=O)C1 1286387062 NKNWSLOXFCLNEI-QRVBRYPASA-N 458.584 2.132 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1Cc1ncnn1C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1286387474 RJTIQYIBTACARJ-GOSISDBHSA-N 467.599 2.275 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H](C)CN1CCN(CC)CC1 1286408541 CVHISRNCWLUGOO-URXFXBBRSA-N 462.598 2.137 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H](C)CN1CCOCC1 1286418583 DFDAXTPNNZCKFH-HXUWFJFHSA-N 483.016 2.293 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1CC1(CN2CCOCC2)CCCCC1 1286462839 XTBOKSUPPFDIOS-UHFFFAOYSA-N 453.591 2.104 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccccc3Cl)n2CCCN2CCN(CC)CC2)CC1 1286476128 OXSOBQCBMUXDAC-UHFFFAOYSA-N 456.038 2.381 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CCCN(C)C(=O)OC(C)(C)C)CC1 1286491174 IAIPBLKZZAPVRS-UHFFFAOYSA-N 495.628 2.487 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@](C)(O)c2ccc(F)cc2)CC1 1286492203 DRBSSGXPRKKKPP-DFBJGRDBSA-N 469.561 2.185 30 10 JEEE C=CC[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOC)CC1)c1ccccc1 1286679352 NYPBQABRZSJUPG-VXKWHMMOSA-N 473.643 2.309 30 10 JEEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 1286700770 QWRQNUCFZTUPJB-RDJZCZTQSA-N 462.572 2.217 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCO1 1286772379 CGQNNKCJYJJOKM-QZTJIDSGSA-N 451.568 2.404 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCC(N2CCCC2=O)CC1 1286816499 JSZRSXYJLVPTID-UHFFFAOYSA-N 473.599 2.146 30 10 JEEE C#CCN(c1nnc(-c2ccc(OCCC)c(OC)c2)n1C[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1300489395 NGNCPLZXYFZIDG-ICSRJNTNSA-N 488.610 2.406 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@@H]1CCC[C@@H](O)C1)[C@@H]1CCS(=O)(=O)C1 1300501645 MNCPEFPAUDFDIZ-YPAWHYETSA-N 456.612 2.241 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@@H]1CCC[C@@H]1OC)[C@@H]1CCS(=O)(=O)C1 1300504276 KYCVGUFNUYKQBM-NSHGMRRFSA-N 476.574 2.438 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H](CCC)OC)CC1 1300699938 KAVWNRYHFPUDIH-PMACEKPBSA-N 476.622 2.157 30 10 JEEE C=C(Br)Cn1c(COCC)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1300861444 IVEYVAKEOVMXOH-QAPCUYQASA-N 469.428 2.102 30 10 JEEE C=C(Cl)Cn1c(N2CCO[C@@H](CNC(C)=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1301060479 GNFZUTUURXNLBY-BBWFWOEESA-N 468.986 2.143 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@]2(C)CN(C)C2=O)C1 1301566625 AFXDAICFANEKKB-AIYYMTJKSA-N 474.606 2.308 30 10 JEEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 1301593310 LRLPKXITQHOVMD-SJORKVTESA-N 479.628 2.018 30 10 JEEE CC(C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCOC[C@H]2C)CC1 1303457021 CWXYMDRZYVBTLJ-DENIHFKCSA-N 465.602 2.136 30 10 JEEE CC[C@H](C)NC(=O)c1cccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)c1 1305622639 HCTXGRYBXKKHPD-IRXDYDNUSA-N 487.630 2.205 30 10 JEEE CS(=O)(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCSC2)C1 1316342414 CEGLXBPEHOIFIP-HKUYNNGSSA-N 461.613 2.495 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@](C)(O)CCOC 1358885198 FNJZSRMCHQJNFS-BXKMTCNYSA-N 452.559 2.481 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCC[C@@H]2OC)c1 1358900175 DDZVNENOKOROGU-ICSRJNTNSA-N 452.559 2.288 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCNC(=O)c1ccc(C)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1358958501 PNRRUFDGDXODPP-LJQANCHMSA-N 499.568 2.351 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@@H]1CCN(CC)C1)[C@H]1CCS(=O)(=O)C1 1358966038 GVHWRIYQYOFLBZ-RTWAWAEBSA-N 471.627 2.134 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1Cc1ncnn1C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1358966660 TVGWDSCNBFIQBH-FQEVSTJZSA-N 481.626 2.085 30 10 JEEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1ccc(OCC(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 1358966883 YUGBDOAMCXZHPF-OAQYLSRUSA-N 499.637 2.110 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CC1(OC)CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1358967165 FLJKFPUOXXVVLA-NBCNBZHGSA-N 494.658 2.224 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H]2CC(F)(F)CO2)CC1 1359042353 BYWIXBODEKEYTE-SFHVURJKSA-N 489.523 2.352 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2CC(=O)NC2CCCCC2)CC1 1359047716 QSRBBVQSJFWGMP-UHFFFAOYSA-N 496.587 2.411 30 10 JEEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC2(CC1)COC(=O)N2 1359060595 AVWTUHOCXGUETM-UHFFFAOYSA-N 452.540 2.174 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C1CCCCC1)N(C)C 1359064779 ZQVVQYSITLQOCI-SFGWALBWSA-N 450.653 2.391 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1359189105 ALSVKGGIKLIBLA-QUCCMNQESA-N 491.662 2.461 30 10 JEEE C=CCOc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)Cc2ccco2)cc1 1359308671 VKFPHDBAJPXGCL-OAQYLSRUSA-N 487.582 2.454 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1359328727 MSOYCNTTZMREAO-LJQANCHMSA-N 474.587 2.166 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC2(CC1)CNC(=O)C2 1359335688 RSTDQWKKIDBBCM-UHFFFAOYSA-N 487.626 2.181 30 10 JEEE COc1ccc(CN(CCO)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)c(OC)c1 1469762111 BVNOVHZBGLTWPM-OAQYLSRUSA-N 452.511 2.275 30 10 JEEE CCCn1nc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@](C)(O)C(C)C)c2ccccc2c1=O 1501078423 BWSDKYDXXOJLBF-XDHUDOTRSA-N 465.558 2.201 30 10 JEEE N#CCCN(CC1CC1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC(=O)N1CCCCCC1 1505324437 CTQLTXJQHCGNOS-IBGZPJMESA-N 462.620 2.103 30 10 JEEE C#CCCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1507562634 LZUKKQJXVOCUNI-UHFFFAOYSA-N 473.599 2.380 30 10 JEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1507592506 AXUHNZHLWXEODW-LJQANCHMSA-N 497.669 2.252 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@@H]1CCO[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1507634522 KVGNAOJEROTTMD-SBHAEUEKSA-N 472.611 2.319 30 10 JEEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1Cc1cc(C)nn1C)[C@H]1CCS(=O)(=O)C1 1507638582 GILHSPGNDPRBBW-SFHVURJKSA-N 489.001 2.227 30 10 JEEE C#CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1507751069 DDCATTUTHZRERY-CABCVRRESA-N 474.612 2.218 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CCc2ccccc2)nnc1N1CCN(CC(=O)NCC)CC1 1507803972 DMSVBDSQSBKNIW-RCZVLFRGSA-N 466.630 2.303 30 10 JEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 1508084431 NXMMSGFFJSXFCL-OAHLLOKOSA-N 458.510 2.484 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCC[C@H](COC)C1 1508087009 MZSFKYHIGMGKNT-SFHVURJKSA-N 479.585 2.401 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2OCC)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1508094060 MHLMMSVITDBETJ-MOPGFXCFSA-N 454.575 2.231 30 10 JEEE CCN(C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](OC)C2CC2)CC1)S(C)(=O)=O 1515446892 FZSBNQPOELRQCA-OAQYLSRUSA-N 472.615 2.492 30 10 JEEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(=O)NC2CCCCC2)CC1 1517624743 FOGBAZPWSOTCGS-UHFFFAOYSA-N 499.641 2.031 30 10 JEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(NC(C)=O)cc1 1539409299 VZZZOGSRJLOJRV-UHFFFAOYSA-N 450.499 2.099 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@]2(N(C)C)CCSC2)CC1 1539483260 URODPIRLTTVWJM-VWLOTQADSA-N 484.645 2.411 30 10 JEEE C=C1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCS(=O)(=O)N(C)C)CC1 1539861723 YTKKRGNJQBSPRW-CALCHBBNSA-N 468.624 2.097 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCN2C(=O)CC[C@H]2C1)C(C)C 1540148305 UXEBMWAHZXUGQZ-SFTDATJTSA-N 469.634 2.024 30 10 JEEE C=CCN(CC=C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCCCS1(=O)=O 1540154319 URHMJDSWQLSWQH-IBGZPJMESA-N 464.613 2.494 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1540873223 RJHOAZIMSVUHKE-LJQANCHMSA-N 469.590 2.402 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccccc2S(=O)(=O)N(C)C)C1 1540896033 DYWOZNWNTXMDHF-RTBURBONSA-N 461.588 2.210 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(C)(C)C)CC1 1540899968 GYTDPCIOBOPZHJ-UHFFFAOYSA-N 477.631 2.484 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)c2ccco2)CC1 1540900374 SXFOQXIBJQLAAX-UHFFFAOYSA-N 490.973 2.150 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N(C)C[C@@H]1CCCCO1 1540904842 OVLCKDCYOYPFLA-FXAWDEMLSA-N 462.572 2.397 30 10 JEEE C#CCN(c1nnc(C2CC2)n1CCN(C(=O)OC(C)(C)C)C1CC1)[C@@H]1CCS(=O)(=O)C1 1588050589 SVXAHPOMWOTLOJ-GOSISDBHSA-N 463.604 2.182 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccccc1OCC=C)[C@H]1CCS(=O)(=O)C1 1588074737 QLVWAWHVAFZBMY-PZJWPPBQSA-N 456.568 2.369 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCC[C@H]1OC 1588647317 UMKOKBSXJRGNEJ-SLFFLAALSA-N 477.606 2.488 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CC2(S(C)(=O)=O)CC2)CC1 1588872042 WJLYGTAZWVUVOQ-UHFFFAOYSA-N 498.436 2.496 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H]2CCC[C@@H](O)C2)CC1 1588899192 MHXSGMDTPQUJPC-WIYYLYMNSA-N 481.597 2.479 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CC(=O)Nc2ccc(F)cc2)CC1 1588914131 XNGRUESUONKADN-UHFFFAOYSA-N 463.517 2.027 30 10 JEEE C#CCSCCn1c([C@@H](C)OCCOC)nnc1N1CCC2(CC1)OC(=O)NC21CCC1 1588985379 RJJTVQXJOYJOMS-QGZVFWFLSA-N 463.604 2.370 30 10 JEEE C=C(C)Cn1c(N2CCC[C@H](CNS(C)(=O)=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1593682814 DGXARZLYCUMFCW-KURKYZTESA-N 482.651 2.391 30 10 JEEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 1593735615 MSUHEBZWZDJYLQ-UHFFFAOYSA-N 451.506 2.429 30 10 JEEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1593757953 RFGXLPOTUMPQTE-OAQYLSRUSA-N 453.591 2.439 30 10 JEEE C=CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)CC[C@@H]2C1 1594733353 RNFHVSGTEWOGCG-MSOLQXFVSA-N 460.579 2.364 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1595544945 OGHBWOZWOGBOLW-ZWKOTPCHSA-N 462.595 2.310 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1595776832 GHDNDGGSONNALN-UHFFFAOYSA-N 497.625 2.288 30 10 JEEE CC(=O)N(C)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)c2ccco2)CC1 1595955688 CZEWOUCSNBOXFY-UHFFFAOYSA-N 491.552 2.199 30 10 JEEE CN(C)S(=O)(=O)c1ccccc1Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@](C)(C#N)C1 1617705585 AVHQRKJGZXFNIP-XMSQKQJNSA-N 458.588 2.211 30 10 JEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(CC(=O)NCC(=O)OC)cc1 1625802011 MMXBXKQSYWGYTD-MRXNPFEDSA-N 453.923 2.493 30 10 JEEE C#CCNC(=O)C1CCN(C(=O)[C@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)CC1 1626032698 DOOIURZGUNTSQP-OAQYLSRUSA-N 450.539 2.381 30 10 JEEE CCOc1ccc(S(=O)(=O)NCC(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)cc1 1651116868 FFWKJHUYKHCSGE-UHFFFAOYSA-N 456.568 2.016 30 10 JEEE C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N(C)C[C@@]2(O)CCN(Cc3ccccc3)C2)cc1 1676356137 DDPLCEAYELBJEL-MBSDFSHPSA-N 456.568 2.473 30 10 JEEE CN(CCN1CCN(c2ccccc2)CC1)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 1686055056 GLFRTHABFIGILZ-TZIWHRDSSA-N 456.591 2.209 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCNC(=O)c1ccco1 1689852102 AGKKXYGLDGFPAZ-SJORKVTESA-N 472.546 2.067 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OCC)CCOC3)n2C[C@H]2CCCOC2)c1 1689868766 QEQYNVCZOBUTSW-CJFMBICVSA-N 467.570 2.413 30 10 JEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCOC[C@H]1CCCO1 1689966131 LHTJLRIINDBOEY-MOPGFXCFSA-N 463.579 2.242 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@@H]1CCOC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1689984919 YEGQYONBVHFWPR-IHPCNDPISA-N 458.584 2.253 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Cl)n1CCc1ccn(C)n1)[C@@H]1CCS(=O)(=O)C1 1689986563 SICKDKFPFQQGMT-QGZVFWFLSA-N 458.975 2.201 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1CCc1ccc(C)cc1C)[C@@H]1CCS(=O)(=O)C1 1689988500 QCEWEZXOMYHBJE-HXUWFJFHSA-N 450.568 2.221 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1C[C@@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1689996275 GIUWNHGMUSXFRN-CVDCTZTESA-N 460.600 2.262 30 10 JEEE C#CCN(c1nnc(COCC)n1Cc1cccnc1OC1CCCC1)[C@@H]1CCS(=O)(=O)C1 1689996606 KNJDBHSKPCHRIS-LJQANCHMSA-N 473.599 2.206 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1Cc1ccnc(OCC(F)(F)F)c1 1690030535 XKCHKDMNMZJPIB-UHFFFAOYSA-N 460.460 2.361 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(-c2n[nH]c(C)n2)cc1 1690092443 ISOBSRXNBNUIQL-UHFFFAOYSA-N 471.525 2.153 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(C[S@@](C)=O)cc2)CC1 1690136590 HOAHDYRXSYQJQR-JGCGQSQUSA-N 455.628 2.468 30 10 JEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC(NC(=O)c2ccc(F)cc2)CC1 1690154511 PZKDNXVVGUINNW-UHFFFAOYSA-N 484.601 2.418 30 10 JEEE C#CCSCCn1c(N2CCOC3(CCOCC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1690186655 SNQOUASPDUGELP-JOCHJYFZSA-N 450.605 2.071 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCc1nccs1 1690246454 UQTIOEQLDSOKHH-NUJGCVRESA-N 451.618 2.297 30 10 JEEE C=CCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1690419505 UPAIUXTZXIHIQZ-LJQANCHMSA-N 459.639 2.152 30 10 JEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc(OC)c2)CC1 1690508416 IQNUPUJPPXEDLD-IBGZPJMESA-N 475.615 2.108 30 10 JEEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1CCC[C@@H](C)C1 1690508842 QOMWYHXJNSVJGY-QYZOEREBSA-N 455.625 2.219 30 10 JEEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(N2CCOCC2)CC1 1690527496 PFIBBISJMDMQTO-SFHVURJKSA-N 462.595 2.074 30 10 JEEE C=CCn1c(Cc2cn3ccccc3n2)nnc1N(C)CCNS(=O)(=O)c1ccc(C)cc1 1690645916 AEMGFEGNTTZAPW-UHFFFAOYSA-N 465.583 2.426 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1690662227 VNQJUQCPDDGTIU-IBGZPJMESA-N 492.584 2.160 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@]2(O)CCO[C@@H]2C)C1 1690684624 JPKMZKLMLAHPBV-FPGHNAPASA-N 455.559 2.468 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1690720862 SXKFLSQWGOBCDY-GOSISDBHSA-N 489.598 2.160 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H]1c1ccccc1OC 1690723618 WXRCEIOEQYWITR-MSOLQXFVSA-N 459.572 2.180 30 10 JEEE C[C@H](C#N)CN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1(S(C)(=O)=O)CCC1 1690993063 DNWKUHACZSMTKU-OAHLLOKOSA-N 479.006 2.425 30 10 JEEE CC(C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NC(=O)C(C)C)CC1 1692548809 GNYSPYMZLGAZGN-UHFFFAOYSA-N 451.575 2.472 30 10 JEEE CC(C)OCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1692619637 HXMJJWMNXVTBCI-MRXNPFEDSA-N 496.037 2.165 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCC[C@H](O)C2)c1 1705504188 PDKZLILPDZUGCZ-QUCCMNQESA-N 452.559 2.024 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2CCCN2CCCO[C@@H](C)C2)c1 1705506766 HYFUSPYKFSJDCO-UNMCSNQZSA-N 480.613 2.339 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1Cc1nnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1705563090 QPGLYCZOXBYWTN-MRXNPFEDSA-N 462.988 2.433 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCS(C)(=O)=O)CC1 1705645235 OONUNFVXMSXZCL-INIZCTEOSA-N 494.017 2.082 30 10 JEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1705652584 FQGPNXTVTKJNPU-HOTGVXAUSA-N 450.609 2.132 30 10 JEEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1CCCN(Cc2nc([C@@H](C)OC)no2)CC1 1705658209 IJZTXESRUIGTIL-QGZVFWFLSA-N 470.603 2.442 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CCO)Cc1ccccc1 1705699888 MUQDAYWXEPFUQS-ACRUOGEOSA-N 460.600 2.160 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N(C)CCS(C)(=O)=O 1705708355 BHMOCQLPACZLLH-UZLBHIALSA-N 452.552 2.458 30 10 JEEE C=C(C)Cn1c(N2CCC(N(C)S(=O)(=O)CC)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1705728711 STSNPFCZIFFCEV-OAQYLSRUSA-N 455.625 2.145 30 10 JEEE C=C(Cl)Cn1c(N2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)nnc1[C@@]1(OCC)CCOC1 1705760215 CVTADNJJVSXCMX-WMZHIEFXSA-N 481.041 2.206 30 10 JEEE C=CCC(C)(C)Cn1c(Cc2ccccn2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1705792994 IZHYZIGLCGPYEN-UHFFFAOYSA-N 453.591 2.039 30 10 JEEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1705895408 GDLQTVRPQNXUJS-UKRRQHHQSA-N 499.563 2.483 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H](C)[C@@H]1C 1705931400 OUTUHVJNVNXBGW-IRXDYDNUSA-N 481.644 2.031 30 10 JEEE C=CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1705945690 PNFLPNOAPFSKEY-FCHUYYIVSA-N 478.707 2.323 30 10 JEEE CCNC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCC[C@@H]2C)CC1 1710332940 BPSFPAJKWLUPFH-FPOVZHCZSA-N 465.602 2.423 30 10 JEEE C#CCN(CC#CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@H]1NC(=O)CC1(C)C 1722399409 STQODUJYCVQRIY-DEOSSOPVSA-N 487.652 2.020 30 10 JEEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](O)(c2ccc(C)cc2)C1 1722603972 RFKVVAXVJLNEGN-QPPBQGQZSA-N 489.642 2.374 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCCN(C(C)C)CC1 1722688367 CJZFDYKCCYTEMN-UHFFFAOYSA-N 464.412 2.269 30 10 JEEE C=CCOc1ccc(Cn2c(N3CC[C@H](C(N)=O)C3)nnc2[C@@]2(OC(C)C)CCOC2)cc1 1722704311 GPCJCJLOICAURQ-YADARESESA-N 455.559 2.243 30 10 JEEE C=CCNC(=O)Cn1c(N2CCN(Cc3cccc(F)c3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1722704569 VERUPMPCESDMNO-VWLOTQADSA-N 486.592 2.082 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cn(C)nc2-c2ccccc2)C1 1722711472 VCWJQGFJXNREPS-PXNSSMCTSA-N 485.614 2.118 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCC(N3CCCCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1722732484 ZXERAUPICPSEFP-XMMPIXPASA-N 495.690 2.374 30 10 JEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2C#N)CC1 1722738362 HQSXNCROWYUTQJ-LJQANCHMSA-N 472.640 2.298 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CC2(CCOC)CCC2)c1 1740563877 ZUNLCETWIPIEJN-FQEVSTJZSA-N 464.570 2.492 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1Cc1ccc(F)cn1)[C@H]1CCS(=O)(=O)C1 1740621179 UIYITVYMYFIGRZ-IBGZPJMESA-N 485.541 2.171 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H](C)N1CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1740622068 SYHNEMDEFNDNDQ-HSALFYBXSA-N 456.616 2.087 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1cccc(C(=O)NCC)c1)[C@H]1CCS(=O)(=O)C1 1740622679 GNNMSAYETHWAFU-NRFANRHFSA-N 492.605 2.073 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccccn2)n1Cc1ccccc1CN1CCC(O)CC1 1740683183 XPLBKDJVMWYWAS-UHFFFAOYSA-N 460.582 2.431 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2cccn(CC)c2=O)CC1 1740693486 ZXKAGIRDCYYAIU-UHFFFAOYSA-N 470.375 2.021 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2CC2(OC)CCCC2)CC1 1740701067 SUSJDWUENDDKNL-UHFFFAOYSA-N 458.607 2.122 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2CCN(C(=O)OC)CC2)CC1 1740704409 PALWYYGXYTUZKC-UHFFFAOYSA-N 489.580 2.261 30 10 JEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C(C)=O)cc2F)CC1 1740716325 PXOSLXZZAAEOHK-IBGZPJMESA-N 470.574 2.264 30 10 JEEE C=C(C)COCCn1c([C@H]2CCCCO2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1740795008 MDPKJJYDSNPQTL-DHIUTWEWSA-N 476.666 2.344 30 10 JEEE C=CC1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2cccc(OCC(N)=O)c2)CC1 1740842859 OLNYASYIRJWDEB-UGKGYDQZSA-N 455.559 2.317 30 10 JEEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nc(C)cc(OCC)n2)CC1 1740863508 ACRCKASNEVSSQC-IBGZPJMESA-N 489.646 2.360 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCN(C)C(=O)[C@@H]1C 1740987360 FMRSFPXVJRBIPA-HOTGVXAUSA-N 477.656 2.399 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3ccccc3n2)nnc1N1CCC(CC(=O)NC)CC1 1740988892 SGOZGNAIADFNGR-UHFFFAOYSA-N 482.610 2.447 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(c2cccc(OCC)n2)CC1 1740990470 ATGGVULUYOCTEI-UHFFFAOYSA-N 460.604 2.267 30 10 JEEE C[C@H](C#N)CN(C)c1nnc(-c2cccc(Br)c2)n1CCS(=O)(=O)N(C)C 1741124353 FHVKJHZPRSQWRI-CYBMUJFWSA-N 455.382 2.195 30 10 JEEE CCCS(=O)(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2([S@@](C)=O)CC2)CC1 1745851787 HKPNQYLDSMSXQA-JGCGQSQUSA-N 490.655 2.026 30 10 JEEE CNC(=O)[C@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCOC[C@@H]2C)C1 1748143007 CFTBMGARSWRODI-WVMBUTMQSA-N 452.559 2.364 30 10 JEEE C#CCN(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1748800407 WQZVWYJGRRWRJW-UHFFFAOYSA-N 470.581 2.383 30 10 JEEE C#CCN(c1nnc(COc2ccccc2CC)n1Cc1cnccc1OC)[C@@H]1CCS(=O)(=O)C1 1748824183 KTMLEVYZMROPEY-OAQYLSRUSA-N 495.605 2.498 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1C[C@H](C(C)C)N1CCOCC1 1748828324 BXGOFXWVWYHGAT-HXUWFJFHSA-N 473.419 2.476 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(NC(=O)C2CCCC2)c1 1748963098 YFOBUWFKMPAMRY-OAQYLSRUSA-N 499.637 2.443 30 10 JEEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1749044382 QHZIVIGHVSMVIV-OALUTQOASA-N 488.683 2.183 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1749135431 FCPRQTPOGFPSNW-VGOFRKELSA-N 493.605 2.495 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1749158334 HJLQANXLWZKHPA-MSOLQXFVSA-N 474.635 2.083 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1749723889 CEMVEYFGXKFBBS-UHFFFAOYSA-N 490.630 2.185 30 10 JEEE COCCN(CCC#N)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1COCCO1 1749830231 HAROTJRJUYLNAA-MOPGFXCFSA-N 478.594 2.174 30 10 JEEE CC(=O)N1CCN([C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCOCC(F)F)C[C@H]2C)CC1 1749883022 LFDYUWKKKYXTQN-UTKZUKDTSA-N 487.555 2.087 30 10 JEEE Cc1cc(C)cc(CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C#N)CC2)c1 1751395063 AOJLIARGMRKKSB-OAQYLSRUSA-N 472.615 2.211 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@@H](C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1760180412 FBHCQJUBRHSGNR-IZIIKQMZSA-N 472.611 2.361 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1Cc1c(CC)nn(C)c1OC 1760250234 XMSKYQVHLYCKAD-OAQYLSRUSA-N 466.542 2.229 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2C[C@H](CCC)OC)CC1 1760269030 VYNJCMKKXDEQKD-SFHVURJKSA-N 477.569 2.375 30 10 JEEE C=C(Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(OCC(N)=O)CC1)c1ccccc1 1760360595 HGJFWNDFJXDZHN-UHFFFAOYSA-N 461.526 2.110 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1760521576 XLJRAIRZIBKLIS-CZUORRHYSA-N 475.475 2.129 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC2CCN(C(=O)OC)CC2)C1 1760536165 DKCQPBPAWQTEIN-WMZHIEFXSA-N 463.579 2.190 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCO[C@@H](C#N)C1 1760551816 SKSSOHLIIOOSOL-INIZCTEOSA-N 480.388 2.346 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCN(C(=O)Cc3ccccc3)CC2)nnc1C(C)(C)C 1760557973 BYYFYZJUYJCFJD-UHFFFAOYSA-N 459.616 2.068 30 10 JEEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(F)cc1 1760565875 GQTHWCFEYNXUDL-SFHVURJKSA-N 469.608 2.306 30 10 JEEE CC(=O)N[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C2CC2)N(C)C)C1 1760643915 GXCYRPZPQVTSGW-UNMCSNQZSA-N 451.575 2.174 30 10 JEEE C[C@@]1(C#N)CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCNc2nccc(C(F)(F)F)n2)C1 1761544292 AHTVSWYOCNNDRW-LIRRHRJNSA-N 498.535 2.231 30 10 JEEE Cc1nc(C[C@@H]2CCCN(c3nnc(-c4ccc(C#N)cc4)n3CCCS(C)(=O)=O)C2)no1 1762299741 FRRSTEDMMWGRSQ-SFHVURJKSA-N 469.571 2.402 30 10 JEEE CCN1C[C@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCOCC2)C[C@H]1C 1765394815 DCIWOMQDKJKKTJ-RTWAWAEBSA-N 467.618 2.370 30 10 JEEE COc1cccc(C(=O)NCCn2c(CNC(=O)c3cccs3)nnc2N2CCC(C#N)CC2)c1 1768757981 DBINUXMZVCDIKY-UHFFFAOYSA-N 493.593 2.448 30 10 JEEE COc1cccc(Cl)c1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1 1768840432 HDPOHDJWTRPEQD-KPZWWZAWSA-N 456.931 2.041 30 10 JEEE N#Cc1ccc(-c2nnc(N3CCC(C(=O)N4CCC(C(N)=O)CC4)CC3)n2CC(F)(F)F)cc1 1770735066 CZYGRSRGQGRUJZ-UHFFFAOYSA-N 489.502 2.319 30 10 JEEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)c2nccs2)CC1=O 1771137813 GRIPMKXGVMMJPH-MRXNPFEDSA-N 451.556 2.372 30 10 JEEE C=CCNC(=O)NS(=O)(=O)c1ccc(CNC(=O)/C=C/c2cc(OC)ccc2OC)cc1 1858649145 BRQWLBZLWUXFIL-KPKJPENVSA-N 459.524 2.207 30 10 JEEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCO)[C@@H]2c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 1862541903 VWDXODWWGOWGCK-HXUWFJFHSA-N 454.435 2.499 30 10 JEEE C=CCOc1ccccc1[C@@H]1C(C(=O)N2CCC3(CC2)OCCO3)=C(N)Oc2c1c(C)nn2C 1865227740 PRIZMWLJQALSEZ-FQEVSTJZSA-N 466.538 2.353 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)OC(C)(C)C)cn1CCCN1CCOCC1 1870446038 RBYHZKCTPVIWGR-UHFFFAOYSA-N 461.603 2.465 30 10 JEEE C=CCOc1ccccc1OCC(=O)N1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)CC1 1873780874 FNORVGZUXVRSDX-IBGZPJMESA-N 481.524 2.493 30 10 JEEE COc1cccc(/C=N/n2c(SCCO)nnc2[C@@H]2CC(=O)N(Cc3ccccc3)C2)c1O 1874208531 HVSWDXOMSQGPNN-QJTDOHDFSA-N 467.551 2.475 30 10 JEEE CC(C)N1C(=O)CS[C@@H](C(=O)N2CCN(c3cc(N(C)C)cnn3)CC2)[C@@H]1c1ccc(C#N)cc1 1889627035 IHYHICRIQBBBOP-BJKOFHAPSA-N 493.637 2.157 30 10 JEEE CC(C)N1C(=O)CS[C@H](C(=O)N2CCC([C@@H]3CNC(=O)O3)CC2)[C@@H]1c1ccc(C#N)cc1 1889995131 ASMOCJQGTHQWLZ-JBACZVJFSA-N 456.568 2.299 30 10 JEEE CC(C)(C)OC(=O)NCc1cn(CC(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)nn1 2180972866 QHVBVQLMKKFBIK-UHFFFAOYSA-N 457.340 2.241 30 10 JEEE CC(C)(C)OC(=O)N1CCN(CC(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C(=O)C1 2180979897 CDPNWAIUZMPICV-UHFFFAOYSA-N 459.352 2.004 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1[C@H]2C[C@@H](CN(c3ccc(B4OC(C)(C)C(C)(C)O4)cn3)C2)[C@@H]1CO 2241093281 PKOVULQSIWDCSG-ZTTFOMCMSA-N 459.396 2.339 30 10 JEEE C[C@@H](CNC(=O)OC(C)(C)C)CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2247881530 ZTBUQKNGOPCJQR-ZDUSSCGKSA-N 460.427 2.486 30 10 JEEE C[C@H](CNC(=O)OC(C)(C)C)CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2255751875 FQGLJOIGUCLDNO-OAHLLOKOSA-N 454.398 2.425 30 10 JEEE CC(C)(C)OC(=O)N1CC=CCN1S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2255753560 UAGBIOYRBKRZRJ-UHFFFAOYSA-N 451.354 2.093 30 10 JEEE CC(C)(C)OC(=O)NCC=CCNS(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2255950149 IAQLRPSNGRWRPO-UHFFFAOYSA-N 452.382 2.345 30 10 JEEE CC(C)(C)OC(=O)N1CCOCC[C@@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2257545629 SDMWKIFHZSGGEP-CYBMUJFWSA-N 453.370 2.407 30 10 JEEE CCC[C@H](CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nn(C)c1C)NC(=O)OC(C)(C)C 2267140853 UAAGBBXEAWHDGI-OAHLLOKOSA-N 450.389 2.451 30 10 JEEE CNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(C)c1 2267360635 WEYFAUWCFJQPES-UHFFFAOYSA-N 458.389 2.231 30 10 JEEE Cc1sc(C(=O)N[C@@H](C)C2(O)CN(C(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2267544473 UZVHFARMOZPSNI-AWEZNQCLSA-N 466.409 2.456 30 10 JEEE CC(C)(C)OC(=O)NCC[S@@](C)(=O)=NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1O 2267687581 OECOSVSWUOPQDA-JGCGQSQUSA-N 468.381 2.454 30 10 JEEE COc1ccc(S(=O)(=O)N(C)CCNC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2267725625 BPLLPRPNPOJCST-UHFFFAOYSA-N 470.397 2.140 30 10 JEEE Cc1c(C(=O)N2CCCC23CN(C(=O)OC(C)(C)C)C3)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281808984 XODANUGBJSAGEZ-UHFFFAOYSA-N 460.384 2.253 30 10 JEEE Cc1nn(C)c(C(=O)N[C@@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2281990198 JXYHJODFXJXJAR-HZPDHXFCSA-N 462.400 2.451 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2C[C@H]3[C@H](C2)C[C@H]3NC(=O)OC(C)(C)C)n1 2282042344 BYDLTAKVKKLCAK-PNBKFKSVSA-N 460.384 2.141 30 10 JEEE C[C@H]1CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)nn2C)[C@H](C)CN1Cc1ccccc1 2282343573 QJLGJISJGDFMSB-ZWKOTPCHSA-N 474.436 2.003 30 10 JEEE C[C@@H]1CN(S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)[C@H](C)CN1Cc1ccccc1 2282351182 XNPLIILJTICXKY-QZTJIDSGSA-N 474.436 2.003 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCc1cncc(NC(=O)OC(C)(C)C)c1 2282486826 UPZJKHXRMYTTMR-UHFFFAOYSA-N 457.340 2.391 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1[C@@H]2CN(S(=O)(=O)Cc3ccc(B4OC(C)(C)C(C)(C)O4)cc3)C[C@@H]21 2282509722 OCWKESZJDKSMGA-BWTSREIZSA-N 478.420 2.271 30 10 JEEE CC(C)(C)OC(=O)N1CCC(CO)(CNC(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)CC1 2282531171 GBEIISMUHUFJGY-UHFFFAOYSA-N 464.368 2.318 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H]2COC[C@@H](C1)N2C(=O)c1coc(B2OC(C)(C)C(C)(C)O2)c1 2282539448 UJKYUWFLQFPOKL-DLBZAZTESA-N 462.352 2.429 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@]2(C1)C(=O)NCCN2C(=O)C1(B2OC(C)(C)C(C)(C)O2)CC1 2282543591 PGZFXFAWUNSIRD-QHCPKHFHSA-N 463.384 2.341 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1 2282678424 MHMFCKQXLSVJMD-RUZDIDTESA-N 453.392 2.174 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CNS(=O)(=O)c3cccc(B4OC(C)(C)C(C)(C)O4)c3)[C@@H]2C1 2282860011 UIGVLFVOFHJVKY-REPLKXPHSA-N 478.420 2.377 30 10 JEEE Cn1cc([C@H](NC(=O)OC(C)(C)C)C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)cn1 2283986984 HYUXJVMBQUISHU-INIZCTEOSA-N 477.396 2.058 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@H]1C(=O)N1CCc2cccc(B3OC(C)(C)C(C)(C)O3)c21 2284041762 QICDTTNEVMYIFH-SJLPKXTDSA-N 458.364 2.415 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H]3C[C@@]3(CNC(=O)OC(C)(C)C)C2)n1 2288253088 UASQBMXMACUQDV-IQMFZBJNSA-N 460.384 2.189 30 10 JEEE COc1cccc([C@@H]2C(=C(O)c3ccncc3)C(=O)C(=O)N2CCCN2CCOCC2)c1OC 2297056660 NUFJXVJKESZMHC-OAQYLSRUSA-N 467.522 2.243 30 10 JEEE CC(C)(C)OC(=O)N[C@@]1(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)CCC[C@@H]2C[C@@H]21 2334388962 UCLYISISSMGOAJ-BHVCSQLQSA-N 464.397 2.281 30 10 JEEE COc1nc(O[C@@H]2COCC[C@H]2NC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2339835931 VPNZAOZRHGHIDD-HZPDHXFCSA-N 450.341 2.450 30 10 JEEE COc1[nH]c(=NC[C@@H]2CO[C@@H](CNC(=O)OC(C)(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2365346587 WDKHPFWXDNKBOH-HZPDHXFCSA-N 463.384 2.153 30 10 JEEE COc1cccc(/C(C)=N/Nc2nc(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)n[nH]2)c1 20836131 SFNJWBQRMCKDEH-FSJBWODESA-N 475.556 2.028 30 10 JEEE COc1cccc(/C(C)=N/Nc2nnc(SCC(=O)Nc3cccc([N+](=O)[O-])c3)n2N)c1 21326263 HNZWXRCCNFTJSS-WSDLNYQXSA-N 456.488 2.476 30 10 JEEE Cc1cc(C)cc(-n2c(=C(C#N)C(=O)N3CCCC3)sc(=Cc3cnn4ccccc34)c2=O)c1 729668740 PVBSQNIVAUOWGE-UHFFFAOYSA-N 469.570 2.289 30 10 JEEE COCCn1c(=C(C#N)C(=O)c2cccc(Cl)c2)sc(=Cc2cnn3ccccc23)c1=O 729672092 WPWLYWOYVGIRDU-UHFFFAOYSA-N 464.934 2.243 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)CSCC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 1128433868 YZDWWSLJYGYEPF-JTSKRJEESA-N 458.584 2.254 30 10 JEEE C=CCN([C@H](C)COC)S(=O)(=O)c1ccc(I)c(C(=O)OC)c1 1192450775 WOXROPZBRBVWCB-LLVKDONJSA-N 453.298 2.289 30 10 JEEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(C(=O)OCCCCCC)cc2)CC1 1215630963 ULSHTLJVJZNZDS-UHFFFAOYSA-N 450.561 2.041 30 10 JEEE C#C[C@H](NC(=O)N1CCN(CC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1)[C@@H]1CCCO1 1234626007 IQCOOWKMWKVBEG-ROUUACIJSA-N 454.449 2.032 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1Cc1ccc(C#N)o1)[C@@H]1CCS(=O)(=O)C1 1286397868 VHEADXUYVVLQDQ-GOSISDBHSA-N 465.535 2.305 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@@H]2CC[C@H](CO)O2)CC1 1286470798 CHWKOEYODUFYEO-FDFHNCONSA-N 453.587 2.330 30 10 JEEE C#CCSCCn1c(-c2cccc3cccnc23)nnc1N1CCCN(S(C)(=O)=O)CC1 1286500534 YIWXIKGQFIWDKL-UHFFFAOYSA-N 470.624 2.331 30 10 JEEE C=CCCCCn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1286688255 VQDCLTIPZFZOCO-PMACEKPBSA-N 467.636 2.159 30 10 JEEE C=CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1286700201 FOTYKNUPWMQIIU-GOSISDBHSA-N 499.641 2.407 30 10 JEEE C=CCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1286708948 JMZWHHYFUYGWNV-DEOSSOPVSA-N 463.542 2.224 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1286781918 DQGOEIZQFCNBFO-AWEZNQCLSA-N 481.420 2.424 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 1286790882 KICSQPBJQVHRFD-QYZOEREBSA-N 490.605 2.037 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Br)s2)nnc1N1CCC[C@@H](C(N)=O)C1 1286815197 ODLDBKMUVMYSLR-GFCCVEGCSA-N 488.433 2.072 30 10 JEEE C[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1)N1CCOCC1 1288606538 FTFYCTWJIRDHSA-QFBILLFUSA-N 491.518 2.042 30 10 JEEE C[C@@H]1OCC[C@@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(O)(C(F)(F)F)CC1 1291320760 AEQWILHDFDTAJN-IFXJQAMLSA-N 451.449 2.250 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1Cc1ccoc1 1292116377 AJTQBILTDCWDBW-UHFFFAOYSA-N 465.562 2.078 30 10 JEEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CC1(SC)CCN(C)CC1 1293113328 FKHLOPUVGSDLJK-KRWDZBQOSA-N 455.636 2.045 30 10 JEEE CCCC(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCOCC2)C1 1293783366 DPANJIRFFGVUMT-FQEVSTJZSA-N 466.586 2.491 30 10 JEEE CNC(=O)[C@@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)CN2CCCC2)C1 1299032489 HFRABELMESLNMR-CLOONOSVSA-N 465.602 2.423 30 10 JEEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1nc2cc(OC)ccc2n1C)[C@H]1CCS(=O)(=O)C1 1300485442 WKOJCJWZCYFYBT-IRXDYDNUSA-N 470.599 2.362 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1c(Cl)c(C(F)(F)F)nn1C 1300650531 TVWACPUWJSZWFB-UHFFFAOYSA-N 473.887 2.054 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)c2ncc(C)s2)CC1 1300682721 PSIGNVKYLQZXJV-INIZCTEOSA-N 450.572 2.249 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCOc2ccccc2Cl)CC1 1300719465 BVVACMYKLBSVPF-UHFFFAOYSA-N 465.945 2.433 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ccc(Cl)cn1 1300914382 CTYFEPXMQOTAFB-KRWDZBQOSA-N 485.010 2.141 30 10 JEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 1300972308 KBFFADOQWJGTAA-UHFFFAOYSA-N 461.588 2.147 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(CCS(C)(=O)=O)C1CC1 1301485548 XUNRRNDQUXYRHF-HNNXBMFYSA-N 477.656 2.447 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC=C(COC)CC1 1301500707 OSEADPUREMSJFD-LJQANCHMSA-N 474.606 2.478 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(Cc3ccncc3)n2CC2(NC(=O)OC(C)(C)C)COC2)C1 1301567350 VWWJIZKGAYWSGK-IBGZPJMESA-N 470.574 2.339 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N(C)C[C@H]1COc2ccccc2O1 1301586866 PHVPIWRMSXWTOW-IBGZPJMESA-N 469.567 2.141 30 10 JEEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCOC2)C[C@H]1C 1301927380 DSMWSBSXOMLPHS-CTNGQTDRSA-N 454.575 2.312 30 10 JEEE C[C@@H]1CCCN([C@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCS(=O)(=O)CC2)C1 1305027812 ASXPWZNGJPUCOA-RTBURBONSA-N 472.615 2.084 30 10 JEEE CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2cccs2)CC1 1315053591 ICOXHNXENNOOEM-UHFFFAOYSA-N 451.556 2.253 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC1CCS(=O)(=O)CC1 1358876928 TWZMWARFVSYIOD-HNNXBMFYSA-N 462.572 2.254 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H]1CN(CC(C)C)CCO1 1358885380 JAAMMIWKBSGKLC-VQTJNVASSA-N 477.613 2.490 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC[C@@H](C)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 1358962744 VZPCHHYJKXXELX-HKBOAZHASA-N 463.648 2.411 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1c(F)cccc1N1CCCC1 1359024771 VJESNERHOJDWKT-SFHVURJKSA-N 475.590 2.054 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)(C)C)n2C[C@H](N2CCOCC2)C(F)(F)F)n1 1359027495 LTOUKHCJMYBLGB-IBGZPJMESA-N 497.566 2.321 30 10 JEEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1359083735 QASLDXZHVDOFBT-INIZCTEOSA-N 461.364 2.438 30 10 JEEE C=C(Br)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1359087020 QHHMPNGQBIONCG-FQEVSTJZSA-N 495.447 2.479 30 10 JEEE C=CCCCn1c(N2CCC[C@H](n3ccc(C(=O)NC)n3)C2)nnc1[C@@]1(OCC)CCOC1 1359220946 NMSNKVGUDCPCOG-FDDCHVKYSA-N 457.579 2.294 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 1359295206 UCYRTZSDXOMBGF-VQIMIIECSA-N 465.558 2.468 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(C(=O)C(C)C)CC1 1359328316 ZRNYSMPLDRGIAG-SFHVURJKSA-N 493.605 2.463 30 10 JEEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1503254107 DZQHPNBLKJANBY-GOSISDBHSA-N 474.587 2.355 30 10 JEEE CO[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1503929219 GIDSGMYETJAHHO-NJDAHSKKSA-N 479.629 2.478 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2CCC(=O)N2CCCCC2)c1 1507551344 CLRKJDURCIOQSG-UHFFFAOYSA-N 452.559 2.273 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 1507626279 FEZXZSVGTZBZFL-QGZVFWFLSA-N 456.524 2.230 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1CC[C@@](C)(O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1507629282 LWKAMDSCLSAZHB-HYBUGGRVSA-N 467.595 2.208 30 10 JEEE C#CCN(c1nnc(COCC)n1Cc1ccc(CN2CCCCC2)cc1)[C@H]1CCS(=O)(=O)C1 1507638148 PAGBXGDEUKQZNB-QHCPKHFHSA-N 485.654 2.476 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1OCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1507638452 RAGGTKAZEIZWBV-USYVTKNRSA-N 464.632 2.248 30 10 JEEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cccc(CN2CCOCC2)c1 1507642042 OJIVOSNGHUPSKL-MHZLTWQESA-N 477.609 2.272 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2Cc2ccn(C)n2)CC1 1507735641 DHRLPJNTIUOJJT-QGZVFWFLSA-N 465.533 2.305 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCn2cncn2)CC1 1507736670 RRHAAGQNLBROJY-QGZVFWFLSA-N 482.976 2.329 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(C)cc1 1507771472 ALXMUCMHQMIULG-NFBKMPQASA-N 457.600 2.154 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1507805239 MEYWYRRKAZCISX-YRPNKDGESA-N 470.636 2.387 30 10 JEEE C=C(Cl)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1507860394 NFQBWLAWKKILOI-GOSISDBHSA-N 474.949 2.481 30 10 JEEE C=CC[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1)c1ccccc1 1507928584 KSWVGWXENSFUAD-QTEQDKRBSA-N 488.589 2.413 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2C[C@@H](N3CCOCC3)[C@H](C)C2)cc1 1508096040 AQUUPWUSGHJYIP-DENIHFKCSA-N 468.602 2.186 30 10 JEEE C=CCNC(=O)Cn1c(N2CC[C@@H]3OCCC[C@@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1508098029 NAZKNBFLVYNZQJ-YRXWBPOGSA-N 474.606 2.356 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@H](C(F)(F)F)C1 1508141323 VCWRHSCUDUYAOL-ZDUSSCGKSA-N 475.493 2.385 30 10 JEEE COc1ccc(O[C@H](C)Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)cc1 1518308668 BQDLOGMENYVHPV-XFQAVAEZSA-N 463.535 2.098 30 10 JEEE COc1ccccc1SCc1nnc(N2CCC(C#N)CC2)n1CCNC(=O)c1cc[nH]n1 1518530621 HGKWKXQYXAYKBE-UHFFFAOYSA-N 466.571 2.472 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(=O)NC1CCCCC1 1538983656 UYNTURBUZNUABT-QGZVFWFLSA-N 472.615 2.102 30 10 JEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)NCc2ccc(C)cc2)CC1 1539120695 YMXMBZRZPKFUOD-JOCHJYFZSA-N 483.638 2.435 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccc(OCCC)cc1)[C@@H]1CCS(=O)(=O)C1 1539222420 VYMMZTCSTTWOHD-VQTJNVASSA-N 458.584 2.246 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(C)(C)CN(C)C 1539305283 VYOGAMULOHROJB-UHFFFAOYSA-N 470.643 2.246 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1CC1(OCCOC)CCOCC1 1539315924 ZHFLEFHKLWDOOH-UHFFFAOYSA-N 490.564 2.269 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](c1ccc(C)cc1)N1CCOCC1 1539318595 UJNYVASJNYKLGH-XZOQPEGZSA-N 460.582 2.074 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)CC(=O)N1CCOCC1 1539622461 GMPJCFASWZFJMF-YLJYHZDGSA-N 460.966 2.270 30 10 JEEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1540853400 FQQJBMVVIBXQAP-UHFFFAOYSA-N 457.966 2.385 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](n2cncn2)C1 1540900008 IOVYWBMJBQKAHV-MRXNPFEDSA-N 462.967 2.027 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC(N(C)C(C)=O)CC1 1540901755 NVMIZTHIEMWSDX-UHFFFAOYSA-N 497.625 2.179 30 10 JEEE CC(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCOC2CCOCC2)CC1 1540964941 SABZVWWYOGXJFT-UHFFFAOYSA-N 452.559 2.461 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1C[C@H]1CCN(c2ccccc2F)C1 1541920734 CKLKRSQXSIOIKP-WMZOPIPTSA-N 475.594 2.294 30 10 JEEE CCC1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@@](C)(C#N)C2)CCC1 1546143981 AEUPVUIVPGMJCU-XLIONFOSSA-N 450.609 2.321 30 10 JEEE COCCNC(=O)[C@@H]1CN(C(C)=O)CC12CCN(c1ccc(C#N)c(C(F)(F)F)c1)CC2 1548376269 WGQAORBHDBHGBJ-IBGZPJMESA-N 452.477 2.405 30 10 JEEE CN(C)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)CCCS2)CC1 1552738895 HMYDTJCOSIICAS-QHCPKHFHSA-N 453.616 2.313 30 10 JEEE C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)NC(C)(CO)CO)ccc1Cl 1567492740 AXSDYRSLDNGUPQ-UHFFFAOYSA-N 456.923 2.334 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)Nc3ccccn3)n2CC2(O)CCCC2)c1 1587683149 CMYUBAFRJMWYTL-UHFFFAOYSA-N 473.537 2.287 30 10 JEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccc1N1CCOCC1 1587856591 NNOUVKWNCQDLHH-FQEVSTJZSA-N 457.600 2.067 30 10 JEEE C#CCN(c1nnc(COc2ccccc2CC)n1C[C@H]1CC(F)(F)CO1)[C@H]1CCS(=O)(=O)C1 1588069611 REUKDZGQUDGVQX-RBUKOAKNSA-N 494.564 2.470 30 10 JEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1Cc1ccnc(OCC(F)(F)F)c1 1588246036 ZMZYGAIVAGSMPC-UHFFFAOYSA-N 460.460 2.248 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCOC[C@H]1OC 1588697149 QIHJQMIJAPLRFB-SLFFLAALSA-N 477.606 2.488 30 10 JEEE C=C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC[C@H](C(F)F)N2CCOCC2)CC1 1594023502 JYFUAXNWFNWBIJ-XMSQKQJNSA-N 455.550 2.443 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1595516526 FWTMYLKBRALXKD-HNNXBMFYSA-N 480.491 2.091 30 10 JEEE C=CCOc1ccccc1Cn1c(-c2cnccn2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1595648515 DXCQBTXGCRFWJX-IBGZPJMESA-N 497.625 2.456 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](C)[C@H](OC)C1 1595648792 INQPWLWTPSQUDP-ABSDTBQOSA-N 463.604 2.363 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 1595760032 JXCOHNGJFGEDQH-SFHVURJKSA-N 451.637 2.477 30 10 JEEE C#C[C@@H](NS(=O)(=O)c1cc(C(=O)C(=O)OCC)n(C)c1)c1ccc(Br)cc1 1655458718 FNUBNOQXUHFCQT-OAHLLOKOSA-N 453.314 2.186 30 10 JEEE C=CCN(CC=C)[C@@H](CNC(=O)N1CCN(S(=O)(=O)c2csc(C)n2)CC1)C(C)C 1674145868 UDHUWEPGZVOSSP-SFHVURJKSA-N 455.650 2.166 30 10 JEEE C#CCCCn1c(COc2ccc(Br)cc2)nnc1N(C)CC(=O)N1CCOCC1 1689938412 KRUBYXSPPQLQSS-UHFFFAOYSA-N 476.375 2.328 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1CC[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1689982298 KLAYPPUGECKMOI-NVXWUHKLSA-N 496.431 2.099 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CC(=O)N(CCOC)C1 1690036208 ZXYVCYGYKDZNJU-QGZVFWFLSA-N 487.402 2.004 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@](C)(O)c2cc(C)oc2C)CC1 1690132851 YPODVEGGUXWSLU-XMMPIXPASA-N 482.610 2.142 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCCSc2nccs2)CC1 1690143843 DJVSBMVJYMVXOU-UHFFFAOYSA-N 468.612 2.340 30 10 JEEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1690163685 NQNAIIICLAXOPH-FXAWDEMLSA-N 488.061 2.349 30 10 JEEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2nccc(OCC)n2)CC1 1690172492 GZVFPKJTDBJDAL-SFHVURJKSA-N 457.604 2.054 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)CCC 1690245566 JXTCYPWDABLZKD-YRPNKDGESA-N 469.652 2.465 30 10 JEEE C=C(C)Cn1c(N2CCCN(S(=O)(=O)c3ccccc3)CC2)nnc1[C@]1(OCC)CCOC1 1690297871 KBGPZJPHSZIMMC-QHCPKHFHSA-N 475.615 2.407 30 10 JEEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(CC(=O)N(C)C)CC1 1690644358 GVSBCIHOFKTZQP-GOSISDBHSA-N 462.595 2.467 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC(C(N)=O)CC1 1690717518 IOOFCOSFFUQEBN-HNNXBMFYSA-N 477.656 2.434 30 10 JEEE CC(C)c1noc([C@H](C)N2CCN(c3nnc(-c4cccc(C#N)c4)n3CC(=O)N(C)C)CC2)n1 1691915063 AOZNDBXCVZBOBJ-KRWDZBQOSA-N 477.573 2.295 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@H](C)Oc1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 1705565019 FIILBVDKNBBEGN-QFBILLFUSA-N 489.001 2.426 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1705598522 LAAQHIJKWQKBMJ-VQTJNVASSA-N 489.642 2.290 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2Cc2snnc2C)CC1 1705650143 LZMMONTVBBVIBP-UHFFFAOYSA-N 465.583 2.074 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccnc2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1705703933 PPZXQEWIVASMTM-UXHICEINSA-N 460.604 2.087 30 10 JEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1705829885 FBSZXQGYICPZLY-QGZVFWFLSA-N 481.022 2.148 30 10 JEEE C=CCCOCCn1c(N2CCC[C@H](C(N)=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705832887 MSOGVCIUVHDCKU-OKZBNKHCSA-N 462.595 2.343 30 10 JEEE C=CCNC(=O)Cn1c(N2CC[C@H](COCC)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705908546 RUXLKUBJMMNQIY-OKZBNKHCSA-N 462.595 2.214 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](c2cccc(F)c2)C1 1705938603 DSBDXZBYKWOSLY-RTBURBONSA-N 450.536 2.447 30 10 JEEE Cc1cccc(OCc2nnc(N3CCC(CC#N)CC3)n2CC2(O)CCS(=O)(=O)CC2)c1 1707625522 AQJYUEXSVPYCDW-UHFFFAOYSA-N 473.599 2.235 30 10 JEEE CCCN(CCn1c(N2CCO[C@@H](C#N)C2)nnc1[C@@]1(OCC)CCOC1)C(=O)OC(C)(C)C 1709740376 HKJKENWJFQSAAV-FDDCHVKYSA-N 478.594 2.306 30 10 JEEE CCO[C@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCCN2CCN(CC)CC2)CCOC1 1710465535 AKFPGNUZMQFLIJ-BJKOFHAPSA-N 459.639 2.088 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC1CC(OC(C)(C)C)C1 1722293376 CIGVXFJTMJVWSZ-RGVPCPSESA-N 467.636 2.053 30 10 JEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC=C(C(F)(F)F)CC1 1722316293 GRCAEABXYDHEDT-MRXNPFEDSA-N 461.510 2.113 30 10 JEEE C#CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC(=O)N(C)[C@@H](C)C1 1722316425 HYTQHHPBASGVHP-ZWKOTPCHSA-N 460.579 2.057 30 10 JEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cc(OC)ccc1OC 1722350427 ZUXXNDGRGLDHKU-UHFFFAOYSA-N 454.556 2.373 30 10 JEEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2CC(C)(C)C(=O)NCC)CC1 1722442412 SJZWEOOMHGPEEH-UHFFFAOYSA-N 452.603 2.391 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H]1COc2ccccc2O1 1722481714 AAGYWCDSKCNJBL-CABCVRRESA-N 483.388 2.365 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1722509778 YIMBPZRGIGUDNZ-ZOBUZTSGSA-N 474.503 2.233 30 10 JEEE C=C(C)COCCn1c(C(C)C)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1722527282 FITWUCGVHLUZQO-UHFFFAOYSA-N 454.622 2.270 30 10 JEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 1722527960 UDPXPJMXBZLGHT-UHFFFAOYSA-N 468.606 2.347 30 10 JEEE C=CC[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)NCC)CC1)c1ccccc1 1722596146 DFXJNEHDQCKQPG-RTWAWAEBSA-N 486.642 2.392 30 10 JEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N(C)Cc1ccc([S@@](C)=O)cc1 1722700787 UMEBRJOAPVFRME-WJOKGBTCSA-N 458.613 2.310 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](Nc2ccccc2)C1 1722702123 DRMOOCGWPNXJQJ-VCOUNFBDSA-N 454.575 2.385 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2nc(C(F)(F)F)cs2)C1 1722717755 DAZKODOBTMGGOT-QWHCGFSZSA-N 477.534 2.485 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN(c2ccc(F)c(OC)c2)CC1 1722725943 VGZHUUNKMUHMHX-UHFFFAOYSA-N 488.589 2.359 30 10 JEEE CCN1CCN(C[C@@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N(CC)[C@H]2CCS(=O)(=O)C2)CC1 1728628640 FIWMWPHYTHYNLO-OFNKIYASSA-N 499.685 2.104 30 10 JEEE CS[C@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1731037520 GMFXDBOERTYFJB-MRXNPFEDSA-N 462.583 2.389 30 10 JEEE N#CCCN(CC1CC1)c1nnc(COc2ccc(Cl)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1731187963 DADPOKMPBLBHRI-OAQYLSRUSA-N 479.990 2.190 30 10 JEEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1740577860 REXLBPKXKBDCBJ-NRFANRHFSA-N 461.613 2.088 30 10 JEEE C#CCN(c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@]1(O)CCO[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1740618164 DATZIEMPGXTMEY-IOZGHAEBSA-N 486.638 2.409 30 10 JEEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCN(C(C)=O)C1 1740671176 ANQFHUDXQDUWDT-VQTJNVASSA-N 474.606 2.305 30 10 JEEE C#CCN1CCN(c2nnc(CC3CCCC3)n2CC[C@H](N2CCOCC2)C(F)(F)F)CC1 1740698947 REWQHMRCDGKYSS-FQEVSTJZSA-N 468.568 2.419 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H](C)Oc2ccccc2)CC1 1740709600 JEYNLMHZWIJNNX-NWSQWKLXSA-N 481.597 2.435 30 10 JEEE C#CCSCCn1c(COc2cc(C)cc(C)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1740721515 LMZCCBKGJKLYOV-UYAOXDASSA-N 458.584 2.201 30 10 JEEE C=C(C)COCCn1c(Cc2c(F)cccc2F)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1740793052 ODQUBYVJJUECFM-IBGZPJMESA-N 474.512 2.213 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 1740794413 AAZDOTBOTWZRMH-PMACEKPBSA-N 462.620 2.428 30 10 JEEE C=C(C)COCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(C(=O)OCC)CC1 1740794474 BLTGPGSRGRHYSN-UHFFFAOYSA-N 484.605 2.323 30 10 JEEE C=CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(CCOC)[C@@H](CC)C1 1740944004 JSOGUACXHSXUIF-SFHVURJKSA-N 461.636 2.280 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1740962287 YDVDCEHQZHGECF-UHFFFAOYSA-N 494.518 2.075 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@H](C(=O)NC)C1 1740988370 CAJFLZFDOGHVMX-SFHVURJKSA-N 468.583 2.057 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCC(NC(=O)C(C)C)CC1 1740989354 KHBFAEXSRAAFNZ-UHFFFAOYSA-N 463.579 2.426 30 10 JEEE CC(=O)N1CCN(c2nnc(-c3cccc(Cl)c3)n2CCN/C(O)=C2\N=CC=CC2=O)[C@H](C)C1 1741044072 YHUHQWLTHKMWHZ-MESBPSPMSA-N 483.960 2.182 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCS(=O)(=O)Cc1ccccc1 1748641612 IREQINMEGPVYJE-XXBNENTESA-N 460.600 2.392 30 10 JEEE C#CCN(c1nnc([C@H](C)OCCOC)n1CC(C)(C)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1748803965 BMTLUTLWBOGQDD-GJZGRUSLSA-N 466.526 2.217 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1Cc1ccc([C@@H](C)O)cc1)[C@@H]1CCS(=O)(=O)C1 1748811209 DBMSJULBDVYRTI-YLJYHZDGSA-N 453.568 2.012 30 10 JEEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(N2CCOCC2)cc1 1748868184 SSYLEVZCGDILSL-SANMLTNESA-N 463.582 2.278 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCN(CCC)C1 1748887088 SPRFMMASFYGEJE-FQEVSTJZSA-N 467.643 2.433 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(OCC(F)(F)F)cc2)CC1 1748971019 AKKGAWDFVYQFBW-UHFFFAOYSA-N 464.492 2.161 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCCNC(C)=O)CC1 1749006484 PAWRZRDIQBTSNZ-UHFFFAOYSA-N 472.977 2.099 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2cccc(OCC)c2)CC1 1749020171 NIRFQUOBTUFAOL-GMAHTHKFSA-N 481.597 2.415 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2OC)n1C[C@@H]1CC(=O)N(CCOC)C1 1749071736 PHGQQYYLUDHLNO-KBMIEXCESA-N 451.571 2.365 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1749141334 ANCSDLDUOBNESM-YHDCXSKOSA-N 463.579 2.260 30 10 JEEE C=CCn1c(N2CCN(CC(=O)N[C@@H]3CCC[C@H](C)C3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1749646169 NROAWTMDAVLEKO-BKSPAHHJSA-N 474.650 2.322 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1C[C@H](F)CN1Cc1cccs1 1760116665 IVLNITLNVFQPGQ-XSLAGTTESA-N 465.620 2.312 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1Cc1ccoc1)[C@@H]1CCS(=O)(=O)C1 1760183655 PYHISIMQATXUCL-GOSISDBHSA-N 456.524 2.230 30 10 JEEE C#CCSCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCS(=O)CC1 1760279800 ABCGEWVQODPHKD-UHFFFAOYSA-N 467.661 2.328 30 10 JEEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)OCC(C)C)CC1 1760284915 UVZCPRYBJUMIGL-UHFFFAOYSA-N 459.620 2.421 30 10 JEEE C=C(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1760342504 NHHXMEPSVQFGNC-MRXNPFEDSA-N 465.576 2.065 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](Oc2ccccc2)C1 1760346165 KYDRFDIUYOWXNT-VQTJNVASSA-N 461.588 2.235 30 10 JEEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1[C@H](C)CCN1C(=O)OC(C)(C)C 1760456389 OBCXKODMBZPNOI-OWCLPIDISA-N 456.613 2.156 30 10 JEEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1C[C@H](C)S[C@H](C)C1 1760515741 RFYLFHJZHSFZEI-GASCZTMLSA-N 477.660 2.179 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cc(F)ccc3Br)n2Cc2nnn(C)n2)C1 1760539614 RQFSKCVXLMDSTB-ZDUSSCGKSA-N 463.315 2.200 30 10 JEEE CC(C)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCOCC2)CC1 1761188667 ACSKQOLEDDSTSC-UHFFFAOYSA-N 454.575 2.191 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCCc1ccccc1 1761235644 GJNRYVKLTALJBK-LJQANCHMSA-N 473.585 2.426 30 10 JEEE CCc1ccccc1OCc1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@H]1CC(=O)N(CCOC)C1 1762661295 CULRRTUDUAYFPP-HOYKHHGWSA-N 470.549 2.356 30 10 JEEE C[C@@H]1COCCN1CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1763231842 ATIPAEKRPXGAOB-APWZRJJASA-N 491.518 2.042 30 10 JEEE CCN1CCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1765435712 ACZGHVGNRDAAPW-FPOVZHCZSA-N 471.631 2.067 30 10 JEEE CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1CC1([S@](C)=O)CCC1 1766646908 CNMKTYIFLOPANU-DFYVNMARSA-N 463.629 2.377 30 10 JEEE CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCC(O)CC2)C[C@@H]1C 1767132119 HXZPZVVEOQKGRK-FQEVSTJZSA-N 467.618 2.106 30 10 JEEE COc1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N(CCS(C)(=O)=O)C2CC2)cn1 1770204843 CESJONQQFZEHHZ-UHFFFAOYSA-N 452.540 2.282 30 10 JEEE C=CCNC(=O)NS(=O)(=O)c1ccc(CNC(=O)CCCOc2ccc(OC)cc2)cc1 1858643676 HZZSAVYCAMUJAD-UHFFFAOYSA-N 461.540 2.345 30 10 JEEE COc1cc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCN2CCOCC2)cc(OC)c1OC 1862601852 OKBSQANDXJZABV-JOCHJYFZSA-N 498.532 2.329 30 10 JEEE CC(=O)Oc1ccc(C[C@H](NC(=O)CC[C@H]2CCS(=O)(=O)C2)C(=O)Nc2ccccc2C#N)cc1 1866928225 ARORQFVFFDYBJM-CVDCTZTESA-N 497.573 2.364 30 10 JEEE CC(C)N1C(=O)CS[C@H](C(=O)Nc2cnc(N3CCOCC3)nc2)[C@H]1c1ccc(C#N)cc1 1889379030 COWCABVTSSLMIG-RTWAWAEBSA-N 466.567 2.217 30 10 JEEE CC(C)N(CC#CCNC(=O)CN(C)c1nc2c(S(C)(=O)=O)cccc2s1)C(C)C 1890952558 COXMPHOOFYGAQT-UHFFFAOYSA-N 450.630 2.374 30 10 JEEE COc1cccc2cc(C(=O)N3CCC(OCC#CCN4CCN(C(C)C)CC4)CC3)c(=O)oc12 1890976581 GRZQEZCGKFYQRQ-UHFFFAOYSA-N 481.593 2.452 30 10 JEEE CC1(C)OB(c2cnc(NS(=O)(=O)CCCCN3C(=O)c4ccccc4C3=O)s2)OC1(C)C 1942166030 LQCMVSSTAVOIEW-UHFFFAOYSA-N 491.400 2.260 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](O)CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2255611487 UPLSYDNLHZXFCC-CABCVRRESA-N 452.382 2.147 30 10 JEEE C=C(CS(=O)(=O)NCC[C@H]1CN(Cc2ccccc2)CCO1)B1OC(C)(C)C(C)(C)O1 2255793864 DEZYJQDLEQPFMJ-FQEVSTJZSA-N 450.410 2.385 30 10 JEEE CC(C)(C)OC(=O)NCC=CCNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2255950369 MFMLHPYMFJTPMS-UHFFFAOYSA-N 452.382 2.345 30 10 JEEE CN(Cc1sccc1B1OC(C)(C)C(C)(C)O1)C(=O)[C@@H](CO)CNC(=O)OC(C)(C)C 2256679239 VDDADSKNUDUUPC-CQSZACIVSA-N 454.398 2.139 30 10 JEEE CCc1nn(C)c(C(=O)N[C@H](C)CCNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267141283 WMNIRIWNFOYBFZ-CQSZACIVSA-N 450.389 2.315 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1S(=O)(=O)N[C@@H]1C[C@@H]1CNC(=O)OC(C)(C)C 2267471756 VNFZEFDAAIZBQE-NVXWUHKLSA-N 466.409 2.486 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H](CNC(=O)OC(C)(C)C)C(C)C)n1 2267528100 PDYWRTCNEFMNTM-MRXNPFEDSA-N 450.389 2.481 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CC[S@@](=O)(=NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267592502 NCKWALVMEKCOBN-ZZQXMTQJSA-N 465.381 2.286 30 10 JEEE C[C@H]1[C@H](NS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CCN1C(=O)OC(C)(C)C 2267704346 LYGBRYWNIWONFK-WMLDXEAASA-N 467.397 2.057 30 10 JEEE CON(CCCNS(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)OC(C)(C)C 2267718203 POSOZNYHAWIJGQ-UHFFFAOYSA-N 470.397 2.453 30 10 JEEE COC[C@@H](ONC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1nscc1B1OC(C)(C)C(C)(C)O1 2268631316 WSHZSOUCNSVFHI-TZMCWYRMSA-N 471.385 2.091 30 10 JEEE CC(C)(C)OC(=O)N1CCC(O)(C(=O)NCc2sccc2B2OC(C)(C)C(C)(C)O2)CC1 2268705999 KROYQGJVKCNMTO-UHFFFAOYSA-N 466.409 2.426 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](CNC(=O)c2ccc(F)cc2B2OC(C)(C)C(C)(C)O2)[C@@H](O)C1 2281791515 ZCLPTNHIEYKSBK-KSSFIOAISA-N 464.343 2.083 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)[C@H](C(F)(F)F)C1 2281976705 FQJZZEADAFDRQK-ZDUSSCGKSA-N 474.289 2.333 30 10 JEEE CC1(C)OB(c2cnc(C(=O)NC[C@@H]3CNCCN3Cc3ccccc3)c(Cl)c2)OC1(C)C 2282002584 QFHNEEKJJWECLQ-IBGZPJMESA-N 470.810 2.238 30 10 JEEE COc1cccc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC1(NC(=O)OC(C)(C)C)COC1 2282005579 NVURJCWEOYRXEU-UHFFFAOYSA-N 462.352 2.018 30 10 JEEE CC(C)(C)OC(=O)N1CCCN(CCNC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)CC1 2282007222 BCLJLHFYPVJPFV-UHFFFAOYSA-N 480.440 2.115 30 10 JEEE CCn1cc(C(=O)N2C[C@@H]3C[C@H](C2)C3NC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2282034791 MURMCVLQPNRDFW-FKEKPDDDSA-N 460.384 2.187 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC[C@]12CCN(C(=O)OC(C)(C)C)C2 2282534372 FMCZOPIQSMNJCH-HSZRJFAPSA-N 460.384 2.335 30 10 JEEE Cc1c(C(=O)N2C[C@@H]3C[C@@H]3[C@@H]2CNC(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282543851 CVJPFXOIZCTJOI-JYJNAYRXSA-N 460.384 2.013 30 10 JEEE Cn1ncc(C(=O)N2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@]3(C)C2)c1B1OC(C)(C)C(C)(C)O1 2282568357 BAVWVJNGHCFJDI-IQMFZBJNSA-N 460.384 2.048 30 10 JEEE Cn1cc(C(=O)NC[C@@H]2N(C(=O)OC(C)(C)C)CCC2(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2282580650 WOCYLAKFEHYSCD-INIZCTEOSA-N 462.400 2.485 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)[C@H](CC(F)F)C1 2282590565 CSAXTURDYJQKJD-CYBMUJFWSA-N 470.326 2.426 30 10 JEEE Cn1cc(C(=O)N[C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)c(B2OC(C)(C)C(C)(C)O2)n1 2282591680 SSKXBGWKKQNSBN-SVFBPWRDSA-N 450.392 2.360 30 10 JEEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(NC(=O)c1ncc(B3OC(C)(C)C(C)(C)O3)cn1)C2 2282623861 IHRLYTYKLOOJPX-IRXDYDNUSA-N 458.368 2.436 30 10 JEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)[C@@H]1NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2282685936 MERDKILSBFJTBN-QLPKVWCKSA-N 460.384 2.397 30 10 JEEE CON(C1CN(C(=O)OC(C)(C)C)C1)S(=O)(=O)c1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2282828658 SFVYCMJEQJVYHI-UHFFFAOYSA-N 486.371 2.296 30 10 JEEE C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282829661 ICXZKFTXTOBFRM-DOTOQJQBSA-N 481.424 2.447 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](O)CN1c1ccc([N+](=O)[O-])c(B2OC(C)(C)C(C)(C)O2)c1 2282934091 NGLGHWZFHLIYCS-JKSUJKDBSA-N 463.340 2.358 30 10 JEEE Cn1cc([C@H](NC(=O)OC(C)(C)C)C(=O)NCc2sccc2B2OC(C)(C)C(C)(C)O2)nn1 2283968411 KJWNANDWAIFOOY-INIZCTEOSA-N 477.396 2.058 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1COC[C@@H]1C(=O)N1Cc2cccc(B3OC(C)(C)C(C)(C)O3)c2C1 2283969861 KFDJSGKUKCVYSK-HKUYNNGSSA-N 458.364 2.368 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]1C(=O)NCCc1ccccc1B1OC(C)(C)C(C)(C)O1 2283978684 FOKJBRFYHNAZNJ-MOPGFXCFSA-N 460.380 2.327 30 10 JEEE CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccccc1B1OC(C)(C)C(C)(C)O1 2284031752 BMNGRZKTALCBCH-IBGZPJMESA-N 461.412 2.399 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@H](OCC(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C1 2284050326 YQSZOWGZVAVKBD-HNNXBMFYSA-N 481.424 2.475 30 10 JEEE CC1(C)OB(c2cccc(CS(=O)(=O)N[C@H](COCc3ccccc3)C(=O)O)c2)OC1(C)C 2284405339 JKQKBRGXBICNBV-HXUWFJFHSA-N 475.372 2.075 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1N(C(=O)OC(C)(C)C)CCC1(C)C 2362463583 XQVRIHRIRVVWQR-OAHLLOKOSA-N 462.400 2.485 30 10 JEEE CC(C)(C)OC(=O)NC[C@@]1(Oc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)CCCS(=O)(=O)C1 2368395376 WDHLCWKCDXIKKH-QFIPXVFZSA-N 482.408 2.232 30 10 JEEE CC1(C)OB(c2cccc(CS(=O)(=O)N[C@@H](CCO)COCc3ccccc3)c2)OC1(C)C 2369629648 OLVOTVNGRBRWNY-QFIPXVFZSA-N 475.416 2.373 30 10 JEEE Cc1nc(CNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)nc2ccccc12 608838036 QTFCIWHXVNGUAS-UHFFFAOYSA-N 450.524 2.026 30 10 JEEE CC1(C)OB(c2ncc(CNS(=O)(=O)CCCOCc3ccccc3)s2)OC1(C)C 718815332 VKQVSRAIXBBODJ-UHFFFAOYSA-N 452.407 2.469 30 10 JEEE C#CCN(C(=O)CSCc1nc(O)c2c3c(sc2n1)CCCC3)[C@H]1CCS(=O)(=O)C1 729332528 ZTLOAGRAMWUJFO-ZDUSSCGKSA-N 465.622 2.158 30 10 JEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)Cc2nnn(-c3ccc(C)cc3)c2C)c1 749505054 NQSUQYZQVIEJNI-UHFFFAOYSA-N 457.534 2.300 30 10 JEEE C#CC[C@@H]1CCCN(C(=O)CCC(=O)N(CC(C)C)c2c(O)nc(=O)n(CCCC)c2N)C1 1130302696 HDNSRSCWDKPBGY-GOSISDBHSA-N 459.591 2.362 30 10 JEEE C=CCC1(NCC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)CCCCC1 1175371783 MDWOFVWTDGCWFZ-UHFFFAOYSA-N 450.561 2.296 30 10 JEEE COc1ccc(C[C@H](C)CNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 1225474908 GKTZQQKQFKGZOW-SFHVURJKSA-N 456.568 2.462 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@H](C)N1CCOCC1 1286291049 VEPIWENGRAKTBI-OALUTQOASA-N 463.586 2.244 30 10 JEEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1286353310 UGBBZOFTELMARS-NLFFAJNJSA-N 499.616 2.485 30 10 JEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCn2ccnc21 1286377085 RQZHRUAACGJHRW-MSOLQXFVSA-N 455.563 2.430 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@@]1(N(C)C)CCSC1)[C@H]1CCS(=O)(=O)C1 1286393035 JFRPWTWJWBRVOI-CVDCTZTESA-N 491.658 2.072 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1Cc1ccc(-n2nc(C)cc2C)nc1)[C@H]1CCS(=O)(=O)C1 1286394333 NZNLUGGAFALRSW-NRFANRHFSA-N 481.626 2.349 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1C[C@@H](c1cccs1)N1CCOCC1 1286464524 CDSCRDQOOLZMID-UXHICEINSA-N 459.616 2.393 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(Cl)c(OC)c1 1286468090 YUGONNAOYRJYDD-QGZVFWFLSA-N 466.991 2.171 30 10 JEEE C=C(C)COCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@]2(CCC(=O)N2)C1 1286608966 WHGVZTLUIZMZES-MHECFPHRSA-N 490.605 2.038 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1286822005 XWJYSFZQPWYKLA-QFIPXVFZSA-N 473.643 2.079 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@]2(C)CCCS2)c1 1300331892 UAQAAHNYSBADBN-AOMKIAJQSA-N 490.655 2.230 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](Cc2ccc(C#N)cc2)C1 1300411508 SRPINLAWJNAKBB-DHIUTWEWSA-N 496.637 2.355 30 10 JEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1CCN1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 1300499417 RHPSAGJVBFYXEO-OAQYLSRUSA-N 474.030 2.411 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2ccccc2F)n1CCS(=O)(=O)N1CCSCC1 1300513069 VJMKZEHRJZZKEF-GOSISDBHSA-N 491.614 2.009 30 10 JEEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1C[C@H](c1ccc(C)cc1)N1CCOCC1 1300635156 FPBBEDGTUSJAEX-JOCHJYFZSA-N 450.587 2.242 30 10 JEEE C#CCN1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCc2nccnc2C)CC1 1300700955 ZAEWRMHNXGVTOZ-UHFFFAOYSA-N 494.644 2.489 30 10 JEEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2CC2(COC)CCOCC2)CC1 1300707829 LBJALXPADLTKHK-UHFFFAOYSA-N 453.587 2.364 30 10 JEEE C#CCSCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1300755429 SFKMFHHYYHDTOJ-IBGZPJMESA-N 456.597 2.121 30 10 JEEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(=O)c2cccc(C)c2)CC1 1300928591 HWNOLXLHVZXFPU-GOSISDBHSA-N 460.604 2.125 30 10 JEEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1300999541 DPBUCXGIMGTRJZ-JOCHJYFZSA-N 468.606 2.451 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@](C)(O)C2CCCCC2)CC1 1301085922 CIHUHWMHBBZRHS-KNQAVFIVSA-N 467.636 2.099 30 10 JEEE C=CCC(C)(C)Cn1c(-c2ccccn2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1301145735 FSEARIISTWKBLA-UHFFFAOYSA-N 451.575 2.213 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(C(N)=O)CCCC1 1301403368 YKLLMHQMIYWLGG-FQEVSTJZSA-N 471.627 2.461 30 10 JEEE C=CCN(CCc1ccco1)c1nnc(Cc2ccsc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1301413165 QDBVPLFHOCUGED-NRFANRHFSA-N 462.597 2.308 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCC2(CC1)CNC(=O)C2 1301480886 GHZHVUFNJDWTAP-SFHVURJKSA-N 482.585 2.226 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(C(=O)NCC)CC1 1301490017 JKNBZKCFRLBHSQ-UHFFFAOYSA-N 466.373 2.406 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](C2CCCCC2)N(C)C)C1 1301556628 IPGLGELTQCMXFX-HBMCJLEFSA-N 465.664 2.472 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC2(CC1)COC(=O)N2 1301569482 XIGXRLZADLPZGR-MRXNPFEDSA-N 493.561 2.237 30 10 JEEE CC(C)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC(F)(F)F)[C@@H](C)C1=O 1303185439 CSBRUTJQKAOKTP-HNNXBMFYSA-N 477.491 2.188 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1ccc(N(C)C)cc1C)[C@@H]1CCS(=O)(=O)C1 1358961432 ZBXYKFULVFTTDH-JOCHJYFZSA-N 464.595 2.390 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2C[C@H](F)COC)CC1 1359032810 DHDYFDXCWNSTRL-INIZCTEOSA-N 466.355 2.456 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC(=O)NCCc2ccccc2)CC1 1359039663 QPRCBNLGKGYFIB-ISKFKSNPSA-N 478.641 2.311 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CC[C@@H]2COCCO2)CC1 1359042693 QDVVBAZLQSBXTG-OAQYLSRUSA-N 497.596 2.124 30 10 JEEE C=C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2(OCCOC)CCOCC2)CC1 1359158474 TTWAIADCQLVKDG-UHFFFAOYSA-N 456.547 2.294 30 10 JEEE C=CCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(CNS(C)(=O)=O)CC1 1359211583 IPVGMLZOEZCLFO-UHFFFAOYSA-N 461.588 2.448 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCSCC1 1359255471 ZKVXIZOZCYOXMF-HXUWFJFHSA-N 491.683 2.430 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 1359298512 CDTYHHUVHOSAAU-GOSISDBHSA-N 464.526 2.022 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2ccc(F)c(F)c2)C1 1359313828 RTYKMFLEBJZIJT-GDBMZVCRSA-N 455.531 2.191 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(Cc2csc(C)n2)CC1 1359331732 GVHKSRSNBSPRCV-UHFFFAOYSA-N 450.634 2.234 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)ccc2C)nnc1N1CCC(C(=O)NC)CC1 1359334328 BDHYWNBPMIIYGZ-UHFFFAOYSA-N 475.615 2.037 30 10 JEEE CN(C)S(=O)(=O)C[C@@H](OC(=O)COc1cccc(Br)c1C#N)C(F)(F)F 1436563495 HZYJPFSZQOAVBD-GFCCVEGCSA-N 459.240 2.065 30 10 JEEE C=C[C@@H]1OCCC[C@H]1NC(=O)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1470238179 GGCYRKLTVUXHHX-WCIQWLHISA-N 477.606 2.297 30 10 JEEE C#CCNC(=O)C1CCN(C(=O)N[C@@H](C)c2cc3c(cc2Br)OCCO3)CC1 1477516487 HIPLUFYSQCJPEV-ZDUSSCGKSA-N 450.333 2.452 30 10 JEEE C#CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1507571950 SFEVMKOIBCEFIZ-NHCUHLMSSA-N 484.645 2.271 30 10 JEEE C#CCCCn1c([C@@H]2COc3ccccc3O2)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1507588501 MMITUMLQSAKSHR-NQIIRXRSSA-N 474.583 2.234 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCN(C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1507624666 CUSQNPQORYQTJT-HXUWFJFHSA-N 474.587 2.210 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1Cc1cc(C(CC)CC)no1)[C@@H]1CCS(=O)(=O)C1 1507631909 UXTDLPYZYRKULH-QGZVFWFLSA-N 469.571 2.302 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccccc2Br)n1CCS(=O)(=O)NC(C)C 1507668383 BRHFWKDYQLSPBC-UHFFFAOYSA-N 478.416 2.498 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CCc2noc(CC)n2)CC1 1507722995 QIUUKLSGWJYOCB-UHFFFAOYSA-N 465.558 2.296 30 10 JEEE C=C(C)COCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(C(=O)NCC)CC1 1507845226 BUIAKEQGGWZTPS-FQEVSTJZSA-N 456.547 2.235 30 10 JEEE C=C(C)COCCn1c(N2CCN(c3nc(C)cc(C)n3)CC2)nnc1[C@@]1(OCC)CCOC1 1507849514 YAJRLMOQWXFINS-XMMPIXPASA-N 471.606 2.256 30 10 JEEE C=C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@H]2CCOC[C@H]2OC)CC1 1507877203 CLWPLRICRIXYFN-PZJWPPBQSA-N 475.615 2.403 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(F)(F)F 1508008191 LLMFKZSFTQQDSZ-AWEZNQCLSA-N 465.523 2.427 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nc(C)cs1 1508034504 WEAWORXRNQUACU-GOSISDBHSA-N 492.627 2.252 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(Cc2cc(OC)cc(OC)c2)CC1 1508077668 PVDJTPVHFKGWEA-UHFFFAOYSA-N 480.569 2.488 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC(S(=O)(=O)c2ccccc2)CC1 1508087041 AKFCOJFPNQKOJZ-HXUWFJFHSA-N 473.599 2.265 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCO[C@H](c3ccccc3F)C2)nnc1[C@@]1(OCC)CCOC1 1508150054 ZBHIYFXEKKUCIB-NZQKXSOJSA-N 494.589 2.248 30 10 JEEE CC(=O)N1CCC(Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CCO[C@@H](C#N)C2)CC1 1508205716 BJWPTDMGUKCXRK-PMACEKPBSA-N 487.605 2.337 30 10 JEEE CCN1CCN([C@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](C(=O)OC)C2)CC1 1515890737 BFCOKZFYFJGXKI-DENIHFKCSA-N 465.602 2.232 30 10 JEEE CN(C)C1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCCC[C@H](S(C)(=O)=O)C2)CCOCC1 1516987274 BVRTYYGYWAFFIF-NRFANRHFSA-N 486.642 2.331 30 10 JEEE CN(CCNS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CC(C)(C)N1CCCCC1 1517328918 BXPINMZSSOBPTJ-UHFFFAOYSA-N 459.620 2.067 30 10 JEEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@H](C)N2CCCCC2)CC1=O 1519227202 CQJXBMODZCLENA-FQEVSTJZSA-N 465.602 2.376 30 10 JEEE N#CCC1CCN(c2nnc(COc3ccccc3F)n2CCNC(=O)c2cc[nH]n2)CC1 1521148818 HPEYQRTWXYGVFK-UHFFFAOYSA-N 452.494 2.279 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CC2CCN(C(=O)OC)CC2)c1 1539039613 DMZGSAAKQWODCB-UHFFFAOYSA-N 490.568 2.213 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCN(CC)C1 1539266451 QTUHRHHPYZHSGE-UXHICEINSA-N 456.591 2.001 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CC[C@]2(CCOC2)O1 1539423237 UXKAKVVEKASPMN-PBQROFAYSA-N 489.617 2.473 30 10 JEEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1Cc2ccccc2[C@@H]1C 1539518453 ZVUNPHTYPIKSQP-QFBILLFUSA-N 461.613 2.059 30 10 JEEE C=CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@H]1CCCN1S(C)(=O)=O 1540063973 HQGHFSVYBIBICV-QGZVFWFLSA-N 485.614 2.282 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCCO2)n1C[C@]1(O)CCS(=O)(=O)C1 1540128580 NLDWYNBZGUUTJV-NFBKMPQASA-N 471.583 2.134 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCOC(C)(C)C1)C(C)C 1540152367 SPZJCDCGMZPTLG-UXHICEINSA-N 465.664 2.494 30 10 JEEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(N2CCCNC2=O)CC1 1540858006 AQVKLENLHCZZII-GOSISDBHSA-N 475.594 2.157 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1540866282 IVHYEPBAVUKHFM-CHWSQXEVSA-N 457.959 2.298 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCO[C@H](C(C)C)C1 1540869611 RLOOTIXYAKNVAU-FQEVSTJZSA-N 479.585 2.228 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCN(C)C(=O)OC(C)(C)C)C1 1540892942 UNJMSFKWDCGCHY-ROUUACIJSA-N 483.635 2.219 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCC[C@]2(CN(Cc3ccccc3)CCO2)C1 1540904317 MECCGTZTLPJKEB-DEOSSOPVSA-N 473.643 2.313 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1540906770 BCBRHEDPJYQURY-LJQANCHMSA-N 497.662 2.342 30 10 JEEE Cc1cc(C)n(CCCn2c(-c3cccc(C#N)c3)nnc2N2CCC(OCC(N)=O)CC2)n1 1543084593 CJCAZWHPUQVNAF-UHFFFAOYSA-N 462.558 2.191 30 10 JEEE C[C@H]1C[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCS(=O)(=O)CC2)C[C@@H](C)O1 1543690006 CQGJYZHGYPTJFQ-IZZQQSIFSA-N 459.572 2.167 30 10 JEEE CCn1cc(S(=O)(=O)N2CCN(c3ccc(C#N)c(C(F)(F)F)c3)C[C@@H]2COC)cn1 1548401466 NDYFQEDDSURSBX-MRXNPFEDSA-N 457.478 2.319 30 10 JEEE CN(C[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCCC2)C1)S(C)(=O)=O 1554228649 CLGLSJPOXNAYFJ-LJQANCHMSA-N 472.615 2.230 30 10 JEEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C(=O)C(C)C)CC1 1587719272 XSIBDSKTTMMFMT-UHFFFAOYSA-N 486.642 2.304 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H](CC)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1588044857 CDTXSKJPQIBQNF-MOPGFXCFSA-N 488.614 2.270 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1[C@H]1C[C@H](c2ccccc2C)C1 1588387261 SJMYVAKOEQJANQ-SFHLNBCPSA-N 457.600 2.498 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCN2CCC[C@H](C)C2)CC1 1588762522 IXRLHVWGXNBUFI-FQEVSTJZSA-N 452.603 2.449 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC2(CC)CCOCC2)CC1 1588891079 LEKZCDJIEGCPFM-SANMLTNESA-N 487.645 2.491 30 10 JEEE C#CCSCCn1c(-c2ccccc2Cl)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1589042986 SERDAEMFXWUBQF-HNNXBMFYSA-N 470.990 2.497 30 10 JEEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1593717608 HXIYVMQCCLJCJU-UHFFFAOYSA-N 469.011 2.446 30 10 JEEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N1CCC(CC(=O)N(C)C)CC1 1593735532 JQOGZMYPMNRAGS-UHFFFAOYSA-N 458.563 2.293 30 10 JEEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1594455806 WHKZGQCLCBKAKF-KRWDZBQOSA-N 472.619 2.084 30 10 JEEE Cc1ccc(S(=O)(=O)NCCn2c([C@@H]3CCOC3)nnc2N2CCC[C@](C)(C#N)C2)s1 1612156333 GBKRQQKDKUUBNG-OXQOHEQNSA-N 464.617 2.261 30 10 JEEE CC[C@@H](C)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NC2CC2)CC1)OC 1613129864 AHYIDZPXUHRVCS-XMSQKQJNSA-N 465.602 2.278 30 10 JEEE COc1cc(OC)cc(-c2nnc(N(C)[C@H](C)CC#N)n2CCS(=O)(=O)N2CCSCC2)c1 1619122852 ANCZZGVBJMCCBP-MRXNPFEDSA-N 494.643 2.079 30 10 JEEE COC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CN(CC(C)C)CCO2)CCO1 1619736693 HBIXQLSVHDYWIV-FGZHOGPDSA-N 454.575 2.025 30 10 JEEE N#Cc1ccc(N2CCN(CC(=O)NCC(=O)Nc3ccccc3Br)CC2)cc1 1620507192 CDQUCYMDBJMANK-UHFFFAOYSA-N 456.344 2.198 30 10 JEEE C=CCC1(O)CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)CC1 1620594041 FTXLKTFASNBMFD-UHFFFAOYSA-N 457.596 2.076 30 10 JEEE C=CCN1CC[C@H](N(C)C(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCCCC3)c2)C1=O 1622745302 MBHXKXGGPBVOAZ-KRWDZBQOSA-N 450.561 2.120 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC 1666519380 CHQJREFCJHDAGQ-UZLBHIALSA-N 453.561 2.209 30 10 JEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1689916444 KFDOLTKMTHGNTH-QFIPXVFZSA-N 484.670 2.367 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1CC1(C(N)=O)CCCC1)[C@H]1CCS(=O)(=O)C1 1689984816 VVODGQOHZIKJIT-INIZCTEOSA-N 493.992 2.410 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCSCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1689989237 CHKIHRGWQYNJQI-GJZGRUSLSA-N 466.551 2.094 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1ccc(N(CC)CC)nc1)[C@@H]1CCS(=O)(=O)C1 1689992851 PSRVMOOOIAQEJD-JOCHJYFZSA-N 493.637 2.180 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1OC(F)(F)F 1690019211 CWBORBADKAIEKZ-MRXNPFEDSA-N 452.458 2.200 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CC2(Cc3ccccc3)CC2)CC1 1690135618 ZZQDSMVNCCCPLS-UHFFFAOYSA-N 462.598 2.405 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)C(C)C)CC1 1690236810 RHRLBNCERWWZIE-ICSRJNTNSA-N 467.574 2.211 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccsc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1690250830 MAQQPHRQQKQHLV-XKGZKEIXSA-N 465.645 2.382 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCS(C)(=O)=O 1690257637 OVDZYSXMFBETLE-UHFFFAOYSA-N 468.649 2.384 30 10 JEEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1690288104 IMHSFGXSYABFIO-DLBZAZTESA-N 453.609 2.450 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCOC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1690603423 AVTJYDIFOAIBDY-SFTDATJTSA-N 459.616 2.299 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1690663265 QZOWKZIMZYENAJ-VXGBXAGGSA-N 490.449 2.329 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(CC(F)(F)F)CC1 1690731266 FZPXDBZMLLUICD-IAGOWNOFSA-N 493.596 2.482 30 10 JEEE C=CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC(=O)N(C)C[C@H]1C 1690741945 BQOAHWNSGUDIIF-MRXNPFEDSA-N 467.599 2.261 30 10 JEEE C#CCN(c1nnc([C@@H](C)CC)n1CCCNC(=O)c1occc1C)[C@H]1CCS(=O)(=O)C1 1705561573 UYEXFVJATVISBY-WMZOPIPTSA-N 461.588 2.140 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@H](C)N1CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1705570481 QFFAYGMSHREPNE-LVCYWYKZSA-N 490.699 2.381 30 10 JEEE C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N1CCN(CC(=O)NC(C)C)CC1 1705721477 CIKCHZWNQCHHBD-UHFFFAOYSA-N 464.412 2.269 30 10 JEEE C=C(Cl)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1705750129 TUTBCXLETGDWKA-UHFFFAOYSA-N 468.905 2.426 30 10 JEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 1705946968 WIFTYWFFDGQNCB-IEBWSBKVSA-N 483.704 2.477 30 10 JEEE CC(C)(Cn1c(-c2cccc(C#N)c2)nnc1N1CCNC(=O)CC1)NC(=O)OC(C)(C)C 1706192312 ICPUXTYIJRHTRB-UHFFFAOYSA-N 453.547 2.446 30 10 JEEE CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cc(C)on2)CC1 1708632676 ASKIQBHPZUDQFN-QGZVFWFLSA-N 462.558 2.198 30 10 JEEE CCN(C)C(=O)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCC(C#N)CC1 1709903565 BDGQWZWOQDVJOM-UHFFFAOYSA-N 462.558 2.454 30 10 JEEE CCN(c1nnc(-c2ccc(C#N)cc2)n1CC1([S@](C)=O)CCC1)[C@@H]1CCS(=O)(=O)C1 1709938013 HDNQXIPNBZFOSW-JJCDCTGGSA-N 461.613 2.131 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCCSCC(C)C)[C@H]1CCS(=O)(=O)C1 1722360209 FEQXOFBCODJHRT-SFHVURJKSA-N 450.634 2.085 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CCc1nccnc1C)[C@H]1CCS(=O)(=O)C1 1722364252 FJYHNHWDQHMIMD-KRWDZBQOSA-N 486.548 2.115 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCO[C@@H]1C(=C)C)[C@H]1CCS(=O)(=O)C1 1722365386 DQDMAZHIUINVHB-IRFCIJBXSA-N 455.584 2.256 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1722433924 JAMQCKGXECNUPC-IERDGZPVSA-N 460.376 2.003 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1CCCN1CCN(c2ccncc2)CC1 1722466536 YMLUBMVSTUXXDV-RUZDIDTESA-N 464.618 2.016 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1722504116 YIFTWVXUCYEPNU-WFXMLNOXSA-N 452.563 2.173 30 10 JEEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1722524161 QPMLXDWLQPOUSR-SFTDATJTSA-N 489.665 2.379 30 10 JEEE C=C(C)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1722524278 YPSYNCZJJDFDDB-QGZVFWFLSA-N 481.569 2.354 30 10 JEEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(CC)C[C@@H]1COc2ccccc2O1 1722542565 CZINHZSSHLQKJM-HUUCEWRRSA-N 455.968 2.307 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCSC1(C)C 1722672604 VATGDOGFNJDOGI-IAGOWNOFSA-N 455.650 2.321 30 10 JEEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CCO)Cc1ccc(Br)s1 1722685308 CVHWUKVBMFYNPH-LBPRGKRZSA-N 461.407 2.189 30 10 JEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccc1Br 1722685507 HQGLPGZHLYCLQD-MRXNPFEDSA-N 470.393 2.196 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2nccc(C(F)F)n2)C1 1722711661 WFKONSJRFCKBJN-VFNWGFHPSA-N 450.490 2.487 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1722729818 XZSYEYUADCTNJR-SFHVURJKSA-N 487.047 2.137 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCOc1ccc(F)c(F)c1 1723941356 GFFPLFKVKPLAIP-VLIAUNLRSA-N 468.530 2.376 30 10 JEEE COC(=O)N1CCC(Cn2c(CNC(=O)c3cccs3)nnc2N(C)C[C@H](C)C#N)CC1 1729786658 DRDVCYCRZLQSJY-OAHLLOKOSA-N 459.576 2.344 30 10 JEEE COCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1730730796 BJKGEGNKLKPQGD-NTKDMRAZSA-N 454.575 2.169 30 10 JEEE C#CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1CCCS(=O)(=O)C1 1740607826 DYHIRBUEGAQWCZ-ZWKOTPCHSA-N 465.620 2.287 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCN(C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1740623760 AJNSHGWTCFKMQA-OAQYLSRUSA-N 484.651 2.397 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H](C)Oc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1740625145 DFOGBLLTNGWZEE-XUVXKRRUSA-N 488.610 2.275 30 10 JEEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](c1ccccc1Cl)N(C)C 1740662558 UYQUYSJZYJZIHN-MAUKXSAKSA-N 453.012 2.304 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(COC)CCOCC1 1740671561 JXHGAILIUKRYEE-IBGZPJMESA-N 477.606 2.489 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2CC2(C(=O)NCC)CCC2)CC1 1740707398 AINNUGGQMCZSBW-UHFFFAOYSA-N 492.624 2.438 30 10 JEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2cccc(C(=O)N(C)C)c2)CC1 1740833696 WHHWUVBMXIZMII-QGZVFWFLSA-N 474.631 2.235 30 10 JEEE C=CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](CNC(C)=O)C1 1740862983 KTSZQLASZNMNIL-WOJBJXKFSA-N 492.621 2.284 30 10 JEEE C=CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1)C1CC1 1740908590 DKAAGZIZFTUCJA-INIZCTEOSA-N 461.588 2.399 30 10 JEEE C=CCN(CCOC)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1740939039 PHGVOGXKVHRYBF-HXUWFJFHSA-N 499.431 2.204 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](c2ccc(CC)cc2)C1 1740951970 QVFGBQSLDZWRFT-FQEVSTJZSA-N 475.553 2.368 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C2CCC2)CC1 1740988585 JPEZXNLETKIWPQ-UHFFFAOYSA-N 475.615 2.238 30 10 JEEE CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1)OC 1744115411 AUPWMGAMTYSTFH-DOTOQJQBSA-N 496.037 2.165 30 10 JEEE C#CCCCCn1c(CC(C)C)nnc1N1CCN(c2cc(N3CCOCC3)ncn2)CC1 1748718762 RQRDBAPIZSDDQZ-UHFFFAOYSA-N 452.607 2.233 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H](C)c1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 1748811536 IFONGJDLRJHHHP-WIYYLYMNSA-N 452.584 2.417 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCN(CCC)C1 1748887089 SPRFMMASFYGEJE-HXUWFJFHSA-N 467.643 2.433 30 10 JEEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1cnccc1OC 1748913469 WBGBNXNGTRAADY-UHFFFAOYSA-N 453.572 2.458 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@](C)(OC)C1CC1 1748964018 DVSRXXOMJVDCNZ-DVECYGJZSA-N 477.606 2.488 30 10 JEEE C#CCSCCn1c(-c2ccccc2OC)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1749029106 KEXORFUXADOMPY-GOSISDBHSA-N 468.627 2.109 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC(F)F)c2)n1CCNS(=O)(=O)CC 1749056888 WWLVYVRDJXABQS-HXUWFJFHSA-N 453.515 2.478 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)COC)CC1 1749122659 ZDGSMXUFWKKFQK-IFMALSPDSA-N 450.543 2.093 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2nnc(O)c3ccccc23)nnc1N(CC)CCS(C)(=O)=O 1749128098 RWJLAKUQROZNAE-OXJNMPFZSA-N 486.598 2.446 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(N(CC)CC)CC1 1749129957 IVWFIQUBMJFJKR-DYXWJJEUSA-N 465.664 2.472 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1749136409 MTEJFCVBJUYACW-NWSQWKLXSA-N 469.586 2.004 30 10 JEEE C=CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@]2(CNC(=O)C2)C1 1749430090 IXVCIRBDPVBRRN-SBUREZEXSA-N 460.579 2.269 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(c2cccc(OCC)n2)CC1 1749656033 YFUYLMMWERENRD-UHFFFAOYSA-N 492.540 2.276 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1749677485 AHMUHWBACVJYRZ-NRFANRHFSA-N 495.628 2.358 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCCc1c[nH]nc1C)[C@H]1CCS(=O)(=O)C1 1760183403 BFJLTVJNNDVDOT-NRFANRHFSA-N 463.567 2.108 30 10 JEEE C#CCN(c1nnc(CC2CCCC2)n1CCNC(=O)c1ccccc1F)[C@H]1CCS(=O)(=O)C1 1760191538 JIGCERQPZZLQIQ-IBGZPJMESA-N 487.601 2.207 30 10 JEEE C#CCN(c1nnc(COc2ccccc2CC)n1C[C@H]1CC=CCO1)[C@@H]1CCS(=O)(=O)C1 1760192122 RBBOFZAJOQNQJW-NHCUHLMSSA-N 470.595 2.391 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1[C@H]1CCC[C@H](C(F)(F)F)C1 1760232539 ANBROWHATLECOM-JYJNAYRXSA-N 463.526 2.364 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1760289036 GMZYPDATSSBGHE-IIBYNOLFSA-N 458.544 2.127 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@H](NC(=O)CC)C1 1760515896 HPWIDXFTSIIIGQ-SJORKVTESA-N 458.538 2.354 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(CN(C)C(C)C)CC1 1760521557 XFHNIMUYHOTQCJ-UHFFFAOYSA-N 492.628 2.051 30 10 JEEE Cc1nn(C)c(N2CCN(c3nnc(C(C)(C)C)n3C[C@]3(N(C)C)CCSC3)CC2)c1C#N 1762399852 FWUONADXWIHDPV-HSZRJFAPSA-N 471.679 2.253 30 10 JEEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1Cc1cccc(OCCN(C)C)c1 1764909078 DEPYWDMATPGVSY-UHFFFAOYSA-N 477.617 2.069 30 10 JEEE N#C[C@@H]1CN(c2nnc(-c3ccc(Br)cc3Cl)n2CC(=O)NCC(F)F)CCO1 1770746591 HPEZECNDPLYPTR-LLVKDONJSA-N 489.708 2.471 30 10 JEEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1cccc([N+](=O)[O-])c1 1862754361 JXKFFHWOIAEEJG-GOSISDBHSA-N 454.395 2.217 30 10 JEEE COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](CO)NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1 1866865922 BOCRKAUBDARNED-MSOLQXFVSA-N 487.538 2.057 30 10 JEEE CC(C)N1C[C@@H](c2nnc(SCC(=O)NCc3ccco3)n2/N=C/c2ccc(O)c(O)c2)CC1=O 1874333604 SRWAQQIBUHHHQB-HWYIRHLISA-N 498.565 2.297 30 10 JEEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)c3ccc(S(C)(=O)=O)cc3Cl)CC2)CC1 1889537959 UNCKGWSVUFBORV-UHFFFAOYSA-N 496.073 2.394 30 10 JEEE CC1(C)OB(c2ncc(CNC(=O)C3CN(C(=O)OCc4ccccc4)C3)s2)OC1(C)C 2243703718 XSKBMMGQMNWQEX-UHFFFAOYSA-N 457.361 2.327 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]1NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2255802950 HRRKSMNGFGSFOZ-GJZGRUSLSA-N 472.438 2.380 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](NC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)CCO1 2267164899 YCMQHJJMOWYSST-KGLIPLIRSA-N 467.397 2.244 30 10 JEEE CC(C)C[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2267180583 GJOYJOFIWQGZBS-OAHLLOKOSA-N 450.389 2.389 30 10 JEEE CC(C)(C)OC(=O)NCCO[C@H]1CCN(C(=O)c2occc2B2OC(C)(C)C(C)(C)O2)C1 2267185311 TVSCKQYJXWGSON-HNNXBMFYSA-N 450.341 2.335 30 10 JEEE CC1(NC(=O)OC(C)(C)C)CN(S(=O)(=O)c2ccc(F)cc2B2OC(C)(C)C(C)(C)O2)C1 2267704332 LULFLETWNZWBHW-UHFFFAOYSA-N 470.372 2.413 30 10 JEEE C=C(CS(=O)(=O)N1C[C@@H](CNC(=O)C(F)(F)F)C2(CCC2)C1)B1OC(C)(C)C(C)(C)O1 2267725473 ZMOABGWJNKWXIM-CQSZACIVSA-N 466.331 2.284 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)O1 2268649980 HCLNPDLIFIIEDO-UKRRQHHQSA-N 467.397 2.131 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NC[C@@H]2[C@H](OC)[C@H](OC)CN2C(=O)OC(C)(C)C)C1 2281273880 YQLRMYMHNVQNMV-KDUNCWAXSA-N 481.590 2.059 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1COCCN1C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2281790244 SGCAAVMNNNWQHL-MRXNPFEDSA-N 464.343 2.491 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2CN(C(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)C[C@H]21 2281926177 KXWXHCTVROQGJB-USXIJHARSA-N 460.384 2.474 30 10 JEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H](NC(=O)OC(C)(C)C)CCC2(C)C)n1 2281935524 CENYTVGKWSHABI-AWEZNQCLSA-N 463.388 2.022 30 10 JEEE Cn1cc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)CC2(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2281972811 OJBTUYQCRGQCJQ-MRXNPFEDSA-N 462.400 2.485 30 10 JEEE Cn1nc(C(=O)NC2C[C@@H]3CC[C@H](C2)N3C(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2281974087 VYCJHGMFHGVDCI-MQVJKMGUSA-N 460.384 2.380 30 10 JEEE CN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1)[C@@H](CNC(=O)OC(C)(C)C)C(F)(F)F 2281975172 JATLYXMFOAMAQJ-ZDUSSCGKSA-N 476.305 2.247 30 10 JEEE CC(C)(C)OC(=O)N1CC(C2CCN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)CC2)C1 2281978604 GGOVNSMTOUBDGK-UHFFFAOYSA-N 460.384 2.428 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H]3CCC[C@]3(NC(=O)OC(C)(C)C)C2)n1 2282037990 CDLGGNNWMAYIKG-CMJOXMDJSA-N 460.384 2.239 30 10 JEEE CC[C@](C)(CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C)N(C)Cc1ccccc1 2282330237 WVUBPCYLMGRZLZ-HSZRJFAPSA-N 476.452 2.298 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@](O)(CNC(=O)c2ccc(F)c(B3OC(C)(C)C(C)(C)O3)c2)C1 2282463964 HQVNPYUTDXBONX-HSZRJFAPSA-N 464.343 2.227 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@H]2CN(Cc3ccccc3)C[C@H]2C1 2282528975 ZIEZAMKWCUDYFJ-PMACEKPBSA-N 450.392 2.313 30 10 JEEE Cn1cc(C(=O)N[C@@H]2CN(Cc3ccccc3)CC(F)(F)C2)nc1B1OC(C)(C)C(C)(C)O1 2282551410 CXSUSEGJQIBWBZ-KRWDZBQOSA-N 460.334 2.359 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCC[C@@H](CCNC(=O)OC(C)(C)C)C2)n1 2282553745 TUGRTYYPSDSCGC-INIZCTEOSA-N 462.400 2.486 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@H](O)CN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2Cl)C1 2282607249 VTOQRMGRDVGEIO-GJZGRUSLSA-N 481.786 2.134 30 10 JEEE Cn1nc(C(=O)N2[C@H]3CC[C@H]2CC(NC(=O)OC(C)(C)C)C3)cc1B1OC(C)(C)C(C)(C)O1 2282628868 QAMBIEUOBOSARY-HOTGVXAUSA-N 460.384 2.380 30 10 JEEE COC[C@@]1(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)CCCN1C(=O)OC(C)(C)C 2282644245 BSCVKYAMALUCJS-QHCPKHFHSA-N 463.384 2.460 30 10 JEEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C(C)(C)C1 2282829730 JGOMVTKZHJOQFN-UHFFFAOYSA-N 481.424 2.401 30 10 JEEE C[C@@H]1CN(Cc2ccccc2)CCCN1S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282846453 KALGBOMCFMFYML-GOSISDBHSA-N 474.436 2.004 30 10 JEEE CC(C)(C)OC(=O)NC[C@H](O)CCC(=O)N1Cc2cccc(B3OC(C)(C)C(C)(C)O3)c2C1 2283970315 FSHCQVODLCPKIX-QGZVFWFLSA-N 460.380 2.494 30 10 JEEE Cc1scc(C(=O)NC2(CNC(=O)OC(C)(C)C)COC2)c1B1OC(C)(C)C(C)(C)O1 2320454196 NXRKDIRBYFZROV-UHFFFAOYSA-N 452.382 2.379 30 10 JEEE C=CCSC1=NC(=O)C2=c3cc(Br)ccc3=N[C@H](c3cccc([N+](=O)[O-])c3)N2N1 588226731 VPBWPJAKTLIZBJ-KRWDZBQOSA-N 472.324 2.420 30 10 JEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NC[C@H](c2ccco2)N2CCCCC2)CC1 616172371 IGMASVAVIANXCX-HXUWFJFHSA-N 471.583 2.394 30 10 JEEE COc1ccc(N=C2S[C@@H](CC(=O)Nc3cnccn3)C(=O)N2Cc2ccnc(C)n2)cn1 730721444 GDCJYMXEYIOQLE-INIZCTEOSA-N 464.511 2.139 30 10 JEEE COc1cc(C=NNc2nc(SCC(=O)NCc3ccc(OC)c(OC)c3)n[nH]2)ccc1O 1084110552 HBIJLVYTEYKVSE-UHFFFAOYSA-N 472.527 2.391 30 10 JEEE COc1ccc(Br)c(CNC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)c1 1141865788 FDJGRBHVBUJVNV-LBPRGKRZSA-N 452.330 2.313 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1Cc1ccc(OCC(F)(F)F)nc1)[C@H]1CCS(=O)(=O)C1 1286390950 AVGLQCIEFBAEJT-KRWDZBQOSA-N 485.532 2.488 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCn2ccnc2C)CC1 1286489616 ZHOQAEQSEDGSLL-UHFFFAOYSA-N 477.569 2.133 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2N(C)CCCC2(C)C)CC1 1286495210 SNQWYEASODFNLQ-FKBYEOEOSA-N 486.661 2.088 30 10 JEEE C#CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1286506817 OESFUHMPQYOTTK-AZUAARDMSA-N 471.631 2.059 30 10 JEEE C#CCSCCn1c(N2CCO[C@@H](c3cnn(CC)c3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1286513490 WGKNNXIOPSOYLN-NFBKMPQASA-N 474.631 2.479 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](CN2CCCCC2)C1 1286540790 DNSAZHYOCCVQKQ-IAGOWNOFSA-N 472.453 2.401 30 10 JEEE C=CC[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1)c1ccccc1 1286678380 VZYYZEDTVQUZNM-MDNKFWRPSA-N 488.614 2.183 30 10 JEEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCC1CCN(CC(F)(F)F)CC1 1286714210 LXBQCTVOEDAVDC-AWEZNQCLSA-N 452.547 2.175 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](c2ccc(F)cc2Cl)C1 1286778381 BOWKWQKBVCIKFX-GOSISDBHSA-N 476.940 2.187 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H]1CCCO[C@@H]1c1ccccc1 1286787892 LIXUMXABRNYGEG-KCZVDYSFSA-N 487.626 2.087 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1286815106 LLTPECRMPPVEFE-OAQYLSRUSA-N 483.541 2.110 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1(C(=O)NCC)CCC1 1300307621 GWFCIHWCZASUEG-GOSISDBHSA-N 450.591 2.216 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCCNC(C)=O)[C@@H]1CCS(=O)(=O)C1 1300482783 HBEPWNKHPTZUPY-VQIMIIECSA-N 494.017 2.224 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2C[C@H](C(CC)CC)N2CCOCC2)CC1 1300703389 IISLXTWPUXVQKE-XMMPIXPASA-N 465.646 2.156 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@H](C(C)C)N2CCOCC2)CC1 1300719406 ZMMWVVJEEVGHMG-DEOSSOPVSA-N 494.640 2.276 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@H]2CCCCN2CCCC)CC1 1300724940 DJTVXKQIOLZOPH-FCHUYYIVSA-N 456.635 2.402 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1CCNC(=O)c1cccc(OC)c1 1300818733 CLLRJKSXOQZDSC-QYXIYQDXSA-N 467.570 2.433 30 10 JEEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CC(F)(F)CO1 1301422739 VNQLFTVKIGJGPR-HNNXBMFYSA-N 460.485 2.255 30 10 JEEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1301509094 ACHXEGYUMZHDLO-UHFFFAOYSA-N 492.580 2.374 30 10 JEEE CC(=O)N1CCC[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CC(=O)NC(C)(C)C)C1 1301688133 YCBCSEFUBRBEMG-FQEVSTJZSA-N 481.601 2.338 30 10 JEEE CC(C)(C)OC1CC(CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)C1 1302297379 BZLLBJCSJSMHEO-MMKHEFIASA-N 498.625 2.037 30 10 JEEE CC(C)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCO[C@@H]2C)CC1 1303198595 GHZRYDHMJGHPJM-NTKDMRAZSA-N 454.575 2.047 30 10 JEEE Cc1cnc([C@@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(S(C)(=O)=O)CC2)s1 1304608686 DWJHEDMWBKBMAR-HNNXBMFYSA-N 471.612 2.467 30 10 JEEE C#C[C@@H](NC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cn1)c1ccc(Cl)cc1F 1310616193 CLGHYXYCRQHGIC-QGZVFWFLSA-N 452.895 2.391 30 10 JEEE N#CCC1CCN(c2nnc(CNC(=O)c3cccs3)n2CCCN2CCOC2=O)CC1 1316535930 HVSJYQCQKVJEIH-UHFFFAOYSA-N 457.560 2.242 30 10 JEEE C=CCC(F)(F)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1NC[C@H]1CCCO1 1349930303 DBMAWUDJELJIBB-OAHLLOKOSA-N 459.515 2.448 30 10 JEEE C=CCCCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCN(CC)CC1 1355287935 XTMXBZKAHUKIQW-UHFFFAOYSA-N 450.605 2.144 30 10 JEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1358904843 MZMQPSMJIYTVBW-FGTMMUONSA-N 482.651 2.431 30 10 JEEE C#CCN(c1nnc(-c2ccccc2F)n1Cc1cccnc1OCCOC)[C@@H]1CCS(=O)(=O)C1 1358959911 RZYPIHZVJXGXSX-LJQANCHMSA-N 499.568 2.179 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2Cc2ccnc(SC)c2)CC1 1359046017 APURZTVJJKNOSA-UHFFFAOYSA-N 461.595 2.395 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCC(=O)N[C@H](C)CC)CC1 1359047969 ZYGJIYUSDPYEBA-SYYKKAFVSA-N 486.661 2.467 30 10 JEEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1359062861 WEVAOTNKIFJRDW-LJQANCHMSA-N 456.572 2.038 30 10 JEEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1359122424 RPXIFLMVZGSGHZ-ROUUACIJSA-N 475.594 2.203 30 10 JEEE C=C(C)COCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1359133702 XVGRNWSWDAFBEJ-TZIWHRDSSA-N 471.606 2.285 30 10 JEEE C=CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCN2CCN(C)C(C)(C)C2)CC1 1359173138 WPZXGWNQZDFPAB-UHFFFAOYSA-N 452.607 2.354 30 10 JEEE C=CCCCn1c(Cc2csc(C)n2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1359218391 HXTDGBQYXCWDJT-UHFFFAOYSA-N 490.659 2.153 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 1359297592 VQIAZVHCYKARHI-SFHVURJKSA-N 462.558 2.144 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1359300834 KVVMUMZEAPXJCD-OAQYLSRUSA-N 498.584 2.398 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2(C(=O)N(C)C)CCCC2)C1 1359311852 JRKPBRQSAUTWSV-GOSISDBHSA-N 467.574 2.355 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1359334025 QVAYTKPYJWFGHB-SFHVURJKSA-N 478.590 2.383 30 10 JEEE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3cccc(C#N)c3)n2CCCNC(=O)C(C)C)C1 1359357656 KVQPVTWHHYEJJF-HXUWFJFHSA-N 451.575 2.284 30 10 JEEE C[C@H](CC#N)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CC1CCS(=O)(=O)CC1 1360473806 ACDQASPXOLGRPA-CQSZACIVSA-N 455.544 2.157 30 10 JEEE CC(=O)N(c1nc(CN2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cs1)c1ccc(F)cc1F 1462627434 JQWGTSLMAQOOAV-ORAYPTAESA-N 452.508 2.476 30 10 JEEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@H](C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1507632932 QVZUIPCVFMJCKL-CEWLAPEOSA-N 490.651 2.001 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@H](C1CC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1507635702 YTITUYOHQMFSQE-FGZHOGPDSA-N 455.628 2.144 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CC[C@]2(CCOC2)O1 1507700711 UPWOYQHLSZFBFF-XTQVGHSUSA-N 491.589 2.005 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC2CCCC2)nc1 1507710950 MQTSGQNMRAAYED-IBGZPJMESA-N 473.599 2.031 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC(C)(C)COC)CC1 1507715461 BHWYBRVWJUFKIA-UHFFFAOYSA-N 458.994 2.289 30 10 JEEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC2CCS(=O)(=O)CC2)CC1 1507726185 HKKCDPVYHZZJNS-UHFFFAOYSA-N 471.627 2.054 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2c(C)nn(C)c2C)CC1 1507735272 QGVJFDVHFGBKKR-UHFFFAOYSA-N 466.977 2.358 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1507792481 YQQYXRBKTIPMPT-DYESRHJHSA-N 470.549 2.390 30 10 JEEE C=C(C)COCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1507840019 IIARQZWYVJVSES-UHFFFAOYSA-N 477.569 2.367 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCCC1(F)F 1508040556 ZFJTVTHBJSQCJO-SJORKVTESA-N 477.578 2.075 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 1508091281 TVYJAQWQJZJDSI-HXUWFJFHSA-N 458.538 2.296 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1508136310 RCOIHOIWHQBLPM-UHFFFAOYSA-N 471.543 2.492 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCSC(C)(C)C2)nnc1[C@]1(OC(C)C)CCOC1 1508149015 NHHZYDHBNLZUEH-FQEVSTJZSA-N 458.650 2.251 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCN(c3cccc(C)c3)CC2)nnc1[C@]1(OCC)CCOC1 1508149387 UATZFVHKRKAENM-DEOSSOPVSA-N 489.642 2.166 30 10 JEEE CC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCN(C(C)C)CC2)CC1 1508335141 BDGKTWCAYABPQC-UHFFFAOYSA-N 465.602 2.157 30 10 JEEE CN(C)CC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1517010387 FOCLSOFBEWJCCT-LJQANCHMSA-N 468.581 2.154 30 10 JEEE COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(C(=O)N(C)C)CCCC2)CC1 1517708724 CARBUNUZPPBOPQ-UHFFFAOYSA-N 465.558 2.354 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@H]1CCCN1S(C)(=O)=O 1539002406 CUQLHUHCEZIHHR-QZTJIDSGSA-N 497.625 2.118 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H](OC)c1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 1539216289 PXVRLVPSWKCFHP-WOJBJXKFSA-N 489.001 2.346 30 10 JEEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1CCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1539230338 LZUJPPPYMRYIQH-LJQANCHMSA-N 478.018 2.233 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCC1(COC)CCCC1)[C@@H]1CCS(=O)(=O)C1 1539230377 GHYGDCMURJVEBZ-RTBURBONSA-N 450.605 2.353 30 10 JEEE C#CCN(CC#CC)c1nnc(Cn2ccc3ccccc32)n1C[C@H]1CCN(S(C)(=O)=O)C1 1539330728 ATIRGHXSMZFWJB-FQEVSTJZSA-N 464.595 2.026 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CCCN1C[C@H](C)O[C@H](C)C1 1539413438 IMYFYWILZWULSY-KDURUIRLSA-N 479.585 2.179 30 10 JEEE C=C(C)COCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1539722479 NXYQBTCMPCSMBT-PKOBYXMFSA-N 472.977 2.169 30 10 JEEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1CCN(C(C)=O)CC1 1540054151 LCKRNNWEZHIVPH-UHFFFAOYSA-N 460.604 2.076 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)CN1CCOCC1 1540146534 GQELSEBYUANGJH-RBUKOAKNSA-N 479.672 2.403 30 10 JEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1ccc(OC)c(OC)c1 1540858042 CRTQRZQSJUNUIO-PXNSSMCTSA-N 477.587 2.156 30 10 JEEE C=CCn1c(N2CC[C@@]3(CCS(=O)(=O)C3)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1540860692 HZCZKFVHDZHTEX-VWKPWSFCSA-N 451.593 2.250 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1540865893 VTZQJNDOJMQQDE-CQSZACIVSA-N 476.404 2.248 30 10 JEEE C=CCOc1ccc(Cn2c(N3CC(=O)N(C)C[C@H]3C)nnc2[C@@]2(OCC)CCOC2)cc1 1540879285 YRRYRKDWUMSLML-HOYKHHGWSA-N 455.559 2.210 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H]2CCOC2)C1 1540893194 YNTHNVXESWHIDE-GUDVDZBRSA-N 463.579 2.404 30 10 JEEE COc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@H]2CCCN2CCCO)cc1OC 1554849527 ATFVGQGSBBHCGP-FDDCHVKYSA-N 458.538 2.251 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2CC2(CS(C)(=O)=O)CC2)c1 1587692641 HKVKIHRAOZJZAR-LJQANCHMSA-N 485.610 2.053 30 10 JEEE C#CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1CCNS(=O)(=O)Cc1ccon1 1587937326 JPTXYWJAFHBCBO-UHFFFAOYSA-N 493.387 2.193 30 10 JEEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1cccc(OC)c1)N1CCCC1 1587989730 NWTIEQNIVHRMAW-FPOVZHCZSA-N 457.600 2.095 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1ccc(N(C)C)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1588051006 ZDTQODPDYQJORT-LJQANCHMSA-N 468.558 2.220 30 10 JEEE C#CCN(c1nnc(C2CCCC2)n1Cc1cccc(CS(C)(=O)=O)c1)[C@@H]1CCS(=O)(=O)C1 1588054604 OHZDXIXMEMPBDP-OAQYLSRUSA-N 490.651 2.155 30 10 JEEE C#CCN(c1nnc(CN2CCCC2=O)n1CC[C@H](C)c1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1588069839 TXGNVBJWNGBODJ-PZJWPPBQSA-N 499.637 2.230 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1CCN(C(C)=O)CC1 1588612432 GDGFMDVOZQXJEI-UHFFFAOYSA-N 453.543 2.061 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccnc2)n1Cc1ccccc1CN1CCC(O)CC1 1588620216 PJRZLKLSRCDLCM-UHFFFAOYSA-N 460.582 2.431 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2C[C@H]2COc3ccccc32)CC1 1588890572 CBNXNNBZJCIIPU-ICSRJNTNSA-N 467.570 2.144 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@](C)(O)c2ccco2)CC1 1588908304 NVNIFZGFIBTPFK-HSZRJFAPSA-N 468.945 2.460 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccc2OC)nnc1N1CCCN(S(C)(=O)=O)CC1 1589557795 IWZJDDAQRAEREE-REWPJTCUSA-N 489.642 2.330 30 10 JEEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN2CCCC[C@H]2C1 1595543899 BFUXPXFWZUSCNJ-FQEVSTJZSA-N 487.649 2.369 30 10 JEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@]2(Cc2ccccc2)C(=O)OCC)cc1 1615097273 GDTSKQOGNKPBQS-XMMPIXPASA-N 454.548 2.379 30 10 JEEE COCCN(C)CCCn1c(C2CCCC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1619874657 BGSIOMBUFQNXST-UHFFFAOYSA-N 469.638 2.144 30 10 JEEE C=CCO[C@@H]1CCN(C(=O)Nc2ccc(CC(=O)N3CCN(c4ncccn4)CC3)cc2)C1 1622810242 CQJYKLOVKRUJQP-OAQYLSRUSA-N 450.543 2.177 30 10 JEEE Cc1nn(C)c(N2CCN(C(=O)c3ccccc3SCC(=O)N3CCCC3)CC2)c1C#N 1625299169 GFJMANNPFVDLLR-UHFFFAOYSA-N 452.584 2.277 30 10 JEEE C=C(Cl)C[C@@H](NC1CCN(S(=O)(=O)c2ccc(NC(C)=O)cc2)CC1)C(=O)OCC 1665451002 ZAUCUBUHWGUHIA-LJQANCHMSA-N 457.980 2.462 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CC2CCC(OC)CC2)c1 1689870307 JQRQNKKPDBMKRX-DQVLVPHSSA-N 464.570 2.491 30 10 JEEE C#CCN(c1nnc(C)n1Cc1ccc(OCc2ccccn2)cc1)[C@@H]1CCS(=O)(=O)C1 1689982130 IIJWTBFWUSXHFU-OAQYLSRUSA-N 451.552 2.236 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCc1ccccc1OC)[C@H]1CCS(=O)(=O)C1 1689990891 SVNKCYWKRBUNMH-UXHICEINSA-N 458.584 2.050 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@]1(O)CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1689993729 KLBVVKIIEXAPQG-NHCICSSKSA-N 456.612 2.241 30 10 JEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCN(CC)C(=O)OC(C)(C)C)CC1 1690132029 DQIXZSFUYJBSTP-UHFFFAOYSA-N 470.622 2.152 30 10 JEEE C=C(Br)Cn1c(-c2cnccn2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1690225991 SKYRYCSSJDPTRA-HNAYVOBHSA-N 489.422 2.023 30 10 JEEE C=C(C)COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1690304416 AVNVUIDHSWEQRW-NRFANRHFSA-N 483.573 2.189 30 10 JEEE C=C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCN2CCC[C@H]2C(=O)N(C)C)CC1 1690362988 WIQISJFCCKNUBY-IBGZPJMESA-N 466.590 2.025 30 10 JEEE C=CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1690466868 DGCWJJIKUAUSRN-UHFFFAOYSA-N 452.559 2.425 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC(=O)Nc2ccc(F)cc2)C1 1690688557 XNXQQKMLUSTHTG-AUSIDOKSSA-N 459.522 2.489 30 10 JEEE CC(=O)NC1CCC(N(C)c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2COCCO2)CC1 1690897824 FTXZGJSEUDYIKU-AOMIVXANSA-N 468.558 2.028 30 10 JEEE CC(C)NC(=O)c1nnc(N(C)C[C@H](C)C#N)n1Cc1cccc(CN2CCO[C@H](C)C2)c1 1690993292 HXEGAROBYZXKCK-RTBURBONSA-N 453.591 2.281 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(OCCN2CCCC2)cc1 1705476268 VBDYJTPUUCWBHJ-HXUWFJFHSA-N 450.587 2.495 30 10 JEEE C#CCCCCn1c(N2CCN(c3cnn(C)c3)C(=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705521552 DZBMSTHJKUCDQO-KDURUIRLSA-N 496.616 2.439 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Br)n1CC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1705566147 ZBNPZWCADBMJFX-AWEZNQCLSA-N 467.389 2.105 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)ccc3Br)n2Cc2cnn(C)c2)CC1 1705633937 CJDNZUWKIGJOOK-UHFFFAOYSA-N 470.375 2.253 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccc2F)nnc1N1CCCN(S(C)(=O)=O)CC1 1705703675 VYCPFGFQTMIVCD-KNQAVFIVSA-N 477.606 2.461 30 10 JEEE C=CC[C@H](Cn1c(Nc2ccn(C)n2)nnc1[C@H]1CN(S(C)(=O)=O)CCO1)c1ccccc1 1705797896 GFQMMRUEUWLGKC-RTBURBONSA-N 471.587 2.448 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1705908124 IUUPREQUSGRTNJ-UHFFFAOYSA-N 496.612 2.397 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2OCC)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1705908217 KZQQROBRGSVBCM-DFBJGRDBSA-N 485.585 2.332 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1705930846 XGWGOBVVYKTVGF-PWIZWCRZSA-N 491.589 2.405 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1705931615 VOVABFMCFRKAFF-UHFFFAOYSA-N 475.615 2.249 30 10 JEEE C=CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1705947940 DBYIBHPTDZXMCU-HOTGVXAUSA-N 460.629 2.436 30 10 JEEE CC1CCN(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCC(S(C)(=O)=O)CC2)CC1 1708143774 CSJYMOHKAGKHLC-UHFFFAOYSA-N 486.642 2.474 30 10 JEEE CS[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1712728331 CTRNWLZHLGNJRM-GOSISDBHSA-N 453.616 2.313 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccsc3)n2C[C@]2(O)CCN(C)C2)c1 1722307102 JDHQLNIWTKHXMU-DEOSSOPVSA-N 464.595 2.053 30 10 JEEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1722311713 ZWPFJAVOTGGZNP-RTBURBONSA-N 473.555 2.113 30 10 JEEE C#CCN(c1nnc(-c2cccc3cccnc23)n1C[C@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1722362745 OFONERRNEDYTPX-WZONZLPQSA-N 453.568 2.281 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCOCCCC)CC1 1722437357 LZFICMWXBAONSE-HXUWFJFHSA-N 476.622 2.158 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC(C)(C)SC)CC1 1722443505 KLTHUDNNMBKGCJ-QHCPKHFHSA-N 463.648 2.426 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H]1CCCN(C(C)=O)C1 1722449938 VUBIFTWDDJBBPC-FQEVSTJZSA-N 491.596 2.019 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCNC(=O)[C@@H]1CC 1722496572 YBKJFRMXNAWWFY-IHPCNDPISA-N 473.599 2.045 30 10 JEEE C=C(Cl)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(CCOC)[C@@H](C)C1 1722546093 GKHKYSKNMZHLKC-INIZCTEOSA-N 482.054 2.456 30 10 JEEE C=CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1722619988 HHUAJCMAPJVOIL-GIWBLDEGSA-N 474.650 2.491 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2CCN(CCC)CC2)C1 1722719322 STWDRMFYGFWOJB-VQTJNVASSA-N 451.637 2.084 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CC[C@H](COC)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1722731270 IQSMERVXAMJZFZ-OKZBNKHCSA-N 483.635 2.122 30 10 JEEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1740577464 FGKJOZVQMSRHMR-UHFFFAOYSA-N 460.590 2.183 30 10 JEEE C#CCN(c1nnc(COCC)n1CC(C)(C)N1CCc2ccccc2C1)[C@@H]1CCS(=O)(=O)C1 1740628837 VBPKOFWLFOHQBM-JOCHJYFZSA-N 485.654 2.278 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(C)nc3ccccc23)n1CCC[C@@H]1NC(=O)NC1=O 1740646937 LZLWWHRBNKVQAY-NRFANRHFSA-N 455.522 2.253 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1CCN(CCC(C)C)CC1 1740655599 DGMULDYPEXPFIG-QFIPXVFZSA-N 459.660 2.401 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(NC(=O)OC)c1 1740678293 ILWWCYYRIYSHPO-UHFFFAOYSA-N 463.498 2.238 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](C)Oc2ccccc2C)CC1 1740701163 WTZXKUSCZHSOPI-LJQANCHMSA-N 466.586 2.158 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCCOC[C@H]2CCCO2)CC1 1740706647 YXGQJRGMLGKHQN-NHCUHLMSSA-N 459.591 2.071 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2CC2(N(C)C)CCC2)CC1 1740707362 ZHXLYTFIKWYIGK-UHFFFAOYSA-N 452.578 2.458 30 10 JEEE C=C(C)COCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1740787761 JTRKRCKQLRVCNK-UHFFFAOYSA-N 471.530 2.221 30 10 JEEE C=C(Cl)Cn1c(-c2cnccn2)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1740809534 OCNMOEVHCBSQAD-UHFFFAOYSA-N 459.963 2.307 30 10 JEEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCC(Nc2cccnn2)CC1 1740963265 FUFPJOCHSKBVSE-UHFFFAOYSA-N 462.558 2.339 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1740964100 HFKBWROEGBCSHI-RUZDIDTESA-N 466.586 2.173 30 10 JEEE CN(CCN1CCOC(C)(C)C1)c1nnc(COc2ccc(C#N)cc2)n1CC1(C(N)=O)CCCC1 1747968581 BSTXNJRKNXQQPQ-UHFFFAOYSA-N 495.628 2.321 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)c1ccc(OC)c(OC)c1 1748639310 FNSSHKJNOSOCBQ-CVEARBPZSA-N 463.604 2.341 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC1(S(C)(=O)=O)CCC1 1748680681 WCSQYFHWCYALGB-OAQYLSRUSA-N 484.670 2.068 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1CCN1CCc2ccccc2C1)[C@@H]1CCS(=O)(=O)C1 1748802370 OMVSQKHTKAKFIJ-OAQYLSRUSA-N 455.628 2.261 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1cscc1C)[C@@H]1CCS(=O)(=O)C1 1748821228 NMANQANCKAEFFH-LJQANCHMSA-N 458.613 2.185 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@]1(OC)CCOC1 1748902872 VPEPTJKDRNICST-YDIMBITNSA-N 457.575 2.317 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2ccc3c(n2)CCCC3)CC1 1749005276 UMFGVYGTSMYURR-LJQANCHMSA-N 480.613 2.290 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC(C)(C)OC(C)(C)C1 1749118045 BPKBVSWUZZOZHK-ULQDDVLXSA-N 455.625 2.263 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)OC)CC1 1749137250 XDCPTQAUZABCEV-VQIMIIECSA-N 474.587 2.139 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1NC(=O)CC1(C)C 1749547369 PGVKOURADMCDRD-IEBWSBKVSA-N 475.590 2.427 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 1749650365 UKFOMSOUBFPSSI-NRFANRHFSA-N 487.004 2.420 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC(NC(=O)c2ccccc2C)CC1 1749664445 NRMJMMRTNGCUCC-UHFFFAOYSA-N 461.570 2.293 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C)N(C)c2ccccc2)C1 1749713804 YVWGCXOHPONHNI-SFHLNBCPSA-N 459.616 2.486 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCN(c2ccnc(C)n2)CC1 1749736090 DKPQLEZENBYYBZ-UHFFFAOYSA-N 481.626 2.203 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1C[C@@H]1CCCCS1(=O)=O)[C@@H]1CCS(=O)(=O)C1 1760182560 GLUHWWYOVODRHE-MOPGFXCFSA-N 497.042 2.193 30 10 JEEE C#CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CCC(S(C)(=O)=O)CC1 1760285655 MTYZBDZSEFWAPW-UHFFFAOYSA-N 464.613 2.246 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@H](Oc2ccccn2)C1 1760515098 KVISDGUFCYICKV-INIZCTEOSA-N 486.374 2.401 30 10 JEEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(CN(C)C(C)C)CC1 1760523717 GPWHATSWNNIJFS-UHFFFAOYSA-N 495.676 2.311 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CC(C)C)C1CCCC1 1760555002 UAEPFAKILKNDIT-KRWDZBQOSA-N 458.650 2.186 30 10 JEEE C=CCSCCn1c([C@H]2CCCCO2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1760564637 DETONYZJVXWXDI-GOSISDBHSA-N 475.619 2.496 30 10 JEEE CC[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1)OC 1764247410 AQFXDUXRJREKRC-LEWJYISDSA-N 451.575 2.238 30 10 JEEE COc1cc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@H](C)CN2CCOCC2)cc(OC)c1OC 1769816806 GGYSBECMOWHZFW-MZNJEOGPSA-N 488.564 2.381 30 10 JEEE COCCn1cc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@@H](C(F)(F)F)C2)cn1 1769871538 IFCPIZXIPGTTFN-GOSISDBHSA-N 461.448 2.475 30 10 JEEE O=C(ON1C(=O)c2ccccc2C1=O)[C@@H]1[C@@H]2[C@H]3C=C[C@@H]([C@H]4C(=O)N(Cc5ccccc5)C(=O)[C@@H]34)[C@@H]12 1772789210 BNZROLRRLQHSEZ-ZEVCKCCMSA-N 468.465 2.220 30 10 JEEE COC(=O)c1ccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2CCNC(C)=O)cc1 1862706837 GULDGSSBZYOMMK-HXUWFJFHSA-N 452.463 2.196 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)COc2cn(CCCOC)c(CN(C)C)cc2=O)nc1C 1870323076 GPSRRBCEVQQQKB-UHFFFAOYSA-N 478.571 2.072 30 10 JEEE C=CCn1cc(OCC(=O)Nc2sc3c(c2C#N)CCC3)c(=O)cc1CN(CC)CCO 1870324425 JZBJBRFEZBRUCE-UHFFFAOYSA-N 456.568 2.288 30 10 JEEE CC(=O)NCc1nnc(SCC(=O)NC2CCCCC2)n1/N=C/c1ccc2c(c1)OCCO2 1874433984 HOKRLJSXICYHIA-WYMPLXKRSA-N 472.571 2.109 30 10 JEEE CC(C)N1C(=O)CS[C@@H](C(=O)N2CCN(c3cccnn3)CC2)[C@H]1c1ccc(C#N)cc1 1889488717 XHHCWTPLSQRESP-FGZHOGPDSA-N 450.568 2.091 30 10 JEEE COc1ccc(CNC(=O)N2CCC(OCC#CCN3CCN(C(C)C)CC3)CC2)cc1OC 1890501131 UNTSPOCWTXPQGR-UHFFFAOYSA-N 472.630 2.424 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)NCC1(O)CCN(C(=O)OC(C)(C)C)CC1 2060138092 GMHWGPZMBFDABG-MRXNPFEDSA-N 454.568 2.452 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@](O)(CC(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)C1 2206630258 HDLXPNXHAYGMJD-QHCPKHFHSA-N 461.368 2.471 30 10 JEEE CC(C)(C)OC(=O)N1[C@@H](COc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)CCS1(=O)=O 2224132955 ZOIVXXWQNXLREP-OAHLLOKOSA-N 454.354 2.099 30 10 JEEE Cc1sc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)cc1B1OC(C)(C)C(C)(C)O1 2255608495 MHMPLOXOHKUCMO-CABCVRRESA-N 452.382 2.066 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCOC[C@@H]1NC(=O)c1csc(B2OC(C)(C)C(C)(C)O2)c1 2255705135 QLPGIUXDRWQPEB-CABCVRRESA-N 452.382 2.459 30 10 JEEE C[C@H](CNS(=O)(=O)c1ccc(F)cc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2255932769 GEARNOYQHDABPV-CYBMUJFWSA-N 458.361 2.316 30 10 JEEE CC1(C)OB(c2cncc(S(=O)(=O)NC[C@H]3CCCN3Cc3ccccc3)c2)OC1(C)C 2267715448 XODHUVFLENNYQC-HXUWFJFHSA-N 457.405 2.324 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](CC(=O)NCc2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2268629416 WGFNGWRXJMWCOH-RHSMWYFYSA-N 466.409 2.281 30 10 JEEE C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)ccc1F 2268655296 KDGQHVRXKMVBFZ-SUMWQHHRSA-N 452.332 2.015 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](O)CN1C(=O)c1cc(F)ccc1B1OC(C)(C)C(C)(C)O1 2281769203 AZTLMRQPGAQUGH-JKSUJKDBSA-N 464.343 2.225 30 10 JEEE Cc1c(C(=O)N[C@@H]2C[C@H](F)CN(C(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281794697 KDYYSXKNSRAGCL-LSDHHAIUSA-N 466.363 2.105 30 10 JEEE CCN(C(=O)c1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2281802619 MQRQSNIJZFJVRO-INIZCTEOSA-N 462.400 2.499 30 10 JEEE Cc1c(C(=O)N[C@@]23CCN(C(=O)OC(C)(C)C)C[C@H]2C3)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281808034 UEIRXDJKNKIJPE-IQMFZBJNSA-N 460.384 2.157 30 10 JEEE CCc1nc(C(=O)NCC2(OC)CN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2282020837 DLAQXENAUXAMQB-UHFFFAOYSA-N 481.424 2.370 30 10 JEEE CC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2282032329 DXKDCLMNXOBDEJ-HZPDHXFCSA-N 462.400 2.485 30 10 JEEE Cn1cc(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 2282044887 XIVQZUFTBGIQLU-HLLBOEOZSA-N 460.384 2.095 30 10 JEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1CCNC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2282549104 FNIFECVGVLTDDG-HOTGVXAUSA-N 462.400 2.342 30 10 JEEE CC(C)(C)OC(=O)NCCOC1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)CC1 2282626245 FFSLYKICJAMSDK-UHFFFAOYSA-N 463.384 2.460 30 10 JEEE Cc1cnc(C(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2282650961 SWKOSCNCTARRND-VWLOTQADSA-N 451.376 2.056 30 10 JEEE C[C@H]1CCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2O)C[C@H]1NC(=O)C(F)(F)F 2282810341 SDUHRFXFAFSNRU-SWLSCSKDSA-N 456.270 2.221 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CN(S(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CC12CC2 2282830462 UUVFSLGREJPMBN-QGZVFWFLSA-N 479.408 2.059 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NCc2cnc(NC(=O)OC(C)(C)C)s2)n1 2282846393 IZKQILLFVDWXES-UHFFFAOYSA-N 499.424 2.001 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2O)CCO1 2282986357 PGRMVSNUWSXXKX-MRXNPFEDSA-N 462.352 2.057 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C2(CCC2)C1 2283063468 RUBXHYLJNWROOD-OAHLLOKOSA-N 458.368 2.295 30 10 JEEE C[C@@H](NC(=O)c1cc(=NC(=O)OC(C)(C)C)[nH]n1C)c1nscc1B1OC(C)(C)C(C)(C)O1 2283942963 RHTMXDFNBNVDTH-GFCCVEGCSA-N 477.396 2.436 30 10 JEEE CC(C)(C)OC(=O)NCCc1n[nH]cc1C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2284046468 BFDGNZKAQKBFFU-UHFFFAOYSA-N 457.340 2.423 30 10 JEEE COc1cc([C@@H]2C(=C(O)c3ccccc3)C(=O)C(=O)N2CCN2CCOCC2)cc(OC)c1OC 2296098857 JXHOCHANXUDULY-JOCHJYFZSA-N 482.533 2.466 30 10 JEEE CCOc1ccc(C=Nn2c(SCC(N)=O)nnc2[C@H]2CC(=O)N(C(C)C)C2)cc1OCC 2329013242 CLZOCEGRUPMUPH-INIZCTEOSA-N 474.587 2.259 30 10 JEEE Cn1cc(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 2359278048 RJEFNJPCISPXEQ-HLLBOEOZSA-N 460.384 2.237 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@]2(C(=O)Nc3ccnc(B4OC(C)(C)C(C)(C)O4)c3)CO[C@H]1C2 2359392375 JSHYPGCTNVGLSY-VBURHUQHSA-N 459.352 2.392 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)n1C 2362483763 UEALQKLRNPFDQG-GDBMZVCRSA-N 462.400 2.403 30 10 JEEE C[C@@H]1CN(C(=O)Cn2cnc3sccc3c2=O)C(=Nc2cccc(S(=O)(=O)N(C)C)c2)S1 254594336 BRARAFCWADTYLO-CYBMUJFWSA-N 491.620 2.360 30 10 JEEE CC(C)Cn1c(=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)sc(=Cc2ccccc2)c1=O 480183844 HWKPSQSFUAIYOX-UHFFFAOYSA-N 472.614 2.418 30 10 JEEE N#Cc1cccc(NC(=O)C2CCN(C(=O)CCCC[C@@H]3SC[C@H]4NC(=O)N[C@H]43)CC2)c1 502252067 HQKXWXBJPPLQEI-SVFBPWRDSA-N 455.584 2.461 30 10 JEEE C#CCN(C(=O)c1ccc(NS(=O)(=O)c2ccc(C)c(C)c2)cc1)[C@@H]1CCS(=O)(=O)C1 729332521 ZTJPCIXRFKBDJD-HXUWFJFHSA-N 460.577 2.367 30 10 JEEE CN(C)[C@@H](CNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)c1cccc(C(F)(F)F)c1 1138507171 DPVXIMPADLHAFJ-SFHVURJKSA-N 454.474 2.274 30 10 JEEE C#CC[C@@H](CCOC)NC(=O)NC[C@H](N1CCN(C(=O)OC(C)(C)C)CC1)C(F)(F)F 1227136774 NYZJQPXARZGFKT-HOTGVXAUSA-N 450.502 2.198 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1Cc1ccccc1OCC)[C@H]1CCS(=O)(=O)C1 1286385330 WLFRVZSQIROQSM-RDPSFJRHSA-N 488.610 2.004 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cc(Cl)ccc2OC(F)F)CC1 1286478761 BXVCRNJYEKYWTF-OAHLLOKOSA-N 499.971 2.239 30 10 JEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 1286493794 GPMRMHRLZGNCJB-MRXNPFEDSA-N 450.609 2.134 30 10 JEEE C=C(Cl)Cn1c(-c2cc(Br)cn2C)nnc1N1CCN(CC(=O)N(C)C)CC1 1286623046 VARGBMYFFSFRNK-UHFFFAOYSA-N 470.803 2.009 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1286677490 CEGRELGZLGUKRJ-OTWHNJEPSA-N 474.606 2.371 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1286759003 YCSRUNOOJMVNBT-IRXDYDNUSA-N 477.553 2.012 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC2(CCN(C)C2=O)CC1 1286783799 MDUATOKRXAKFOU-UHFFFAOYSA-N 482.585 2.103 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC(Oc3ncccc3F)CC2)nnc1[C@]1(OC(C)C)CCOC1 1286793154 TZZHCFKITTYIEM-DEOSSOPVSA-N 488.564 2.203 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@]2(O)CCO[C@H]2C)C1 1286814078 JOUNJOLFWNCOMX-UDLDYJPUSA-N 477.606 2.370 30 10 JEEE CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1)N1CCCC1 1292161666 GISYIUFBMNGLAL-HSZRJFAPSA-N 478.645 2.485 30 10 JEEE C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccc(NC(=O)C[C@H]2SC(N3CCCC3)=NC2=O)cc1 1299675359 OXXHRYDURUYVSL-YTQUADARSA-N 456.568 2.430 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(=O)NCC(F)F 1300302981 GUAXECDUTIWKQA-HUUCEWRRSA-N 454.522 2.232 30 10 JEEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCc2nn(C)c(=O)cc2C1 1300424908 OWOBDYCLQNZLAA-IBGZPJMESA-N 467.574 2.420 30 10 JEEE C#CCN(c1nnc([C@@H](C)CC)n1CCn1c(O)nc2ccccc21)[C@H]1CCS(=O)(=O)C1 1300485588 XHDOFQZFKTUMPH-IRXDYDNUSA-N 456.572 2.174 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H](N1CCOCC1)C(F)(F)F 1300579802 WZHZREUFBHGFOD-LJQANCHMSA-N 499.497 2.320 30 10 JEEE C#CCN1CCN(c2nnc(CCCc3ccccc3)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1300706107 IPEQRALHGHUXBT-JOCHJYFZSA-N 455.628 2.033 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1ccc(C)c(F)c1 1300806499 XEVCRRHGBQAGLB-WZONZLPQSA-N 473.574 2.050 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N(C)CCN2CCOCC2)nnc1[C@@]1(OC(C)C)CCOC1 1300897470 RVIYWCGNUDAPKT-ZFGGDYGUSA-N 463.623 2.068 30 10 JEEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 1300928860 OCFLSFNXOIDXRH-JKSUJKDBSA-N 456.613 2.206 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(C(C)(C)O)cc2)CC1 1301085855 BZFOSZNEUTWTSE-FQEVSTJZSA-N 475.615 2.043 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCc2c(ccnc2O)C1 1301483506 PYCYJARJMKOWKC-UHFFFAOYSA-N 458.320 2.001 30 10 JEEE C#CCN1CCN(C(=O)CN2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2cccc(OC)c2)CC1 1308044106 NKPMWHZOULRMGK-JOCHJYFZSA-N 456.587 2.066 30 10 JEEE CN(c1nnc(-c2ccc(C#N)cc2)n1CC(=O)NCC(F)F)[C@H]1CCCc2c1cnn2C 1314683046 DYXPEWOZUOACLV-KRWDZBQOSA-N 454.485 2.445 30 10 JEEE CNC(=O)C(C)(C)Cn1c(CC(C)C)nnc1N1CCN(c2oc(C3CC3)nc2C#N)CC1 1314941171 DZEFHFAQXLURIF-UHFFFAOYSA-N 454.579 2.312 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2C[C@@](C)(O)CCOC)c1 1358902048 DBCZLYPTDRWCSB-CYFREDJKSA-N 455.559 2.016 30 10 JEEE C#CCCCCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1358913913 CFNUKFFWMJPMAA-INIZCTEOSA-N 468.512 2.483 30 10 JEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CC1CCS(=O)(=O)CC1)[C@@H]1CCS(=O)(=O)C1 1358958057 GTKYKXUCVABVQS-LJQANCHMSA-N 497.042 2.050 30 10 JEEE C#CCN(c1nnc(C2CC2)n1CCN(CC)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1358962374 OUDYITYHJLBGIK-KRWDZBQOSA-N 451.593 2.039 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@@H]1CCC[C@H](O)C1)[C@H]1CCS(=O)(=O)C1 1358968014 XRFAKTAMUVGXEK-HKBOAZHASA-N 472.611 2.343 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(O)CCO[C@H]1C 1359071250 JMJTVMYYHNJHKC-PMASJOIYSA-N 475.590 2.119 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(CC2CCCC2)n1CCS(=O)(=O)N1CCSCC1 1359072668 MZIPPOZRKWAVGD-OAQYLSRUSA-N 451.662 2.382 30 10 JEEE C=C(C)Cn1c(N2CCC(Oc3ccnc(C(N)=O)c3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1359124724 AISKDEFBVXUKBL-XMMPIXPASA-N 470.574 2.437 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 1359294608 YRCFFBUJLCFCOU-UHFFFAOYSA-N 476.585 2.496 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1359295073 OWTGZXSTRISEFQ-UHFFFAOYSA-N 456.432 2.354 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](CC)c2ccccc2)nnc1N1CC[C@](C)(C(=O)NC)C1 1359327493 CVJJPKXUKQPKPW-CVDCTZTESA-N 459.616 2.383 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)[C@@H](C)C1 1359328657 KSDLHEAZGWEIFA-HOTGVXAUSA-N 452.602 2.042 30 10 JEEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C(F)F)C1 1359343624 XIGPHFLWUCNTEN-GJZGRUSLSA-N 465.592 2.012 30 10 JEEE C[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1)N(C)C 1360540515 GNTAZTCBBMPLDT-NRFANRHFSA-N 478.645 2.291 30 10 JEEE CCC(CC)[C@@H](Cn1c(C)nnc1N1CCN(c2ccc(C#N)cn2)CC1)N1CCOCC1 1496628285 FIBKKEJOVSKWGT-JOCHJYFZSA-N 452.607 2.317 30 10 JEEE CN(Cc1ccc(C#N)cc1)c1nnc(-c2cccnc2)n1CCS(=O)(=O)N1CCSCC1 1503461809 HMQGHKRVJQHMFB-UHFFFAOYSA-N 483.623 2.227 30 10 JEEE COC[C@@H](Cn1c([C@H]2CCCCO2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1)OC 1504584802 DVEDKJIFKNQPEY-FGZHOGPDSA-N 454.575 2.375 30 10 JEEE CS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2CCCC[C@H]2C1 1505152130 HEKCOBJEEVCEDE-MOPGFXCFSA-N 458.588 2.294 30 10 JEEE C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1507625459 JLAQWLRHZHNXIM-TUFLPTIASA-N 496.674 2.470 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1cn(CCCC)nc1C)[C@@H]1CCS(=O)(=O)C1 1507635569 TUEJHWABIUZPTB-JOCHJYFZSA-N 481.626 2.244 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 1507690795 WXFMDUIFAYNOJR-SFHVURJKSA-N 463.604 2.207 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2CCC[C@@H]2OC)CC1 1507734078 GQTVSXZQMNPBBO-UNMCSNQZSA-N 499.637 2.130 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CCCCCS(C)(=O)=O)CC1 1507743076 YNTZWTIPHMCISP-UHFFFAOYSA-N 451.637 2.047 30 10 JEEE C=CCN(c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1NC(=O)CC1(C)C)C1CC1 1507988877 SQQRTNCQDNIJME-IBGZPJMESA-N 472.615 2.265 30 10 JEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1ccc(F)cc1)N(C)C)C1CC1 1507992843 JUJNYYNPYMRETC-LEWJYISDSA-N 492.621 2.208 30 10 JEEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1508048707 WLAHSLSCMAIJLK-UHFFFAOYSA-N 498.569 2.011 30 10 JEEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](C[C@@H]2CCOC2)C1 1508091465 LSZAVYSMIWCOLR-MSOLQXFVSA-N 472.615 2.215 30 10 JEEE CCNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCc2c[nH]nc2C)CC1 1516015501 GQPVXLSKVNPMIC-UHFFFAOYSA-N 477.573 2.245 30 10 JEEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1539120212 SKBKBWDFGUEWFU-ZWKOTPCHSA-N 459.620 2.123 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1Cc1ccc(NC(=O)N(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 1539212581 VTNUDJXNSSZERQ-HXUWFJFHSA-N 495.609 2.052 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(C)CN(C2CC2)C1=O 1539326237 SQIIUEDCRJURRN-FNZWTVRRSA-N 496.612 2.060 30 10 JEEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1Cc1ccccc1C1OCCO1 1539420418 DQKMQVLAEUCDIR-UHFFFAOYSA-N 450.543 2.319 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1539437548 DRGQFOKGEJQHFN-VGSWGCGISA-N 474.403 2.311 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCCOC)CC1 1539489240 JKUXRELVZQBTGA-KDURUIRLSA-N 474.606 2.051 30 10 JEEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1539612226 JVRWJRLKFXBNLE-LSDHHAIUSA-N 462.414 2.146 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCCN1CCC 1539669811 VBDBCGJFSHRHIR-UXHICEINSA-N 468.668 2.278 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCCCO2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1539752016 ZESQGVHSYWBIBU-NNWRFLSQSA-N 460.623 2.101 30 10 JEEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCCN(Cc2noc(C)n2)CC1 1539926699 RRIOSVWKYCOADD-UHFFFAOYSA-N 456.595 2.407 30 10 JEEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1540854727 ADLNIXDBFNXMAU-QGZVFWFLSA-N 461.588 2.156 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCOC[C@@H](C2CCC2)C1 1540861823 IAQGBNHVIMBWSI-IBGZPJMESA-N 487.004 2.417 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCN(C(=O)NC)CC1 1540864562 DLZBXVFZBCETDX-UHFFFAOYSA-N 457.604 2.039 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@H]2CCOC2)C1 1540893196 YNTHNVXESWHIDE-OTWHNJEPSA-N 463.579 2.404 30 10 JEEE COc1cccc(-c2nnc(N3CCN(c4cc(C#N)ccn4)CC3)n2CC(=O)NC(C)C)c1 1555009632 DHIJSMXJZPRUBG-UHFFFAOYSA-N 460.542 2.072 30 10 JEEE CCn1cc([C@H]2C[S@](=O)CCN2C(=O)COc2cccc(Br)c2C#N)cn1 1556441629 GGOHREHWCZOJPC-CHAGWJKLSA-N 451.346 2.248 30 10 JEEE C#CCNC(=O)CN1CCCN(C(=O)c2ccc(Br)cc2Br)CC1 1565590152 OYWOZWUVSATYLE-UHFFFAOYSA-N 457.166 2.109 30 10 JEEE C#CCN(C)c1nnc(-c2cccc(Br)c2)n1CCCN(C)S(=O)(=O)CC 1587921634 DHCLZADVTSLIFI-UHFFFAOYSA-N 454.394 2.449 30 10 JEEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1CCCN1CCC[C@H]1C(=O)N(C)C 1587926743 GLHWMRVMMRORPI-KRWDZBQOSA-N 476.423 2.058 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1cccc(SCC)c1)[C@H]1CCS(=O)(=O)C1 1588025096 SAUCJSRRHOJAJI-SFHVURJKSA-N 475.640 2.203 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1CC(C)(C)COC)[C@@H]1CCS(=O)(=O)C1 1588035207 PZHJZFMJWXISHI-MRXNPFEDSA-N 498.447 2.345 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1Cc1nnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1588039649 BHHSCUINSSJHJB-OAHLLOKOSA-N 493.014 2.442 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1CC1(CN2CCOCC2)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1588059854 WJFHEDZGPRJRSV-JOCHJYFZSA-N 491.702 2.386 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCc1cnn(C)n1 1588698057 XSLMEWPDZWWJSV-IBGZPJMESA-N 472.594 2.197 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@@H](C)Oc2ccc(F)cc2)CC1 1588924109 VHMGTJVAEHRLFU-QGZVFWFLSA-N 463.517 2.308 30 10 JEEE C#CCSCCn1c(N2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)nnc1[C@]1(OC(C)C)CCOC1 1589126207 XNXYQARAQZLPIK-CSGUBPAMSA-N 464.632 2.458 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C)(COC)CC1 1589493042 FNJXLQHIIGQFJE-BZSNNMDCSA-N 455.625 2.122 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1589505151 LFZUUYDQIDHGIG-DZFGPLHGSA-N 470.599 2.268 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1589543653 AFRMZCPRVZSLAK-TZIWHRDSSA-N 472.634 2.119 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1scnc1C 1595551889 XURAZPPADMWQFG-INIZCTEOSA-N 491.618 2.290 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1595577191 LDSINMUOTJGKAJ-AOMKIAJQSA-N 461.950 2.197 30 10 JEEE CCCO[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1615028495 DSUUVOORTZOPJW-NZQKXSOJSA-N 473.599 2.152 30 10 JEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCCC[C@@H]1C(=O)OCc1ccccc1 1618743804 GXNIIBMYZQUNKD-DYESRHJHSA-N 455.536 2.350 30 10 JEEE COC[C@@H](C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1619583171 AKHBHBHUXSINII-YJBOKZPZSA-N 457.966 2.363 30 10 JEEE N#Cc1cccc(-c2cnc(CNC(=O)C3CCN(S(=O)(=O)c4cccnc4)CC3)[nH]2)c1 1635916860 DRPGXSPGWKTUTL-UHFFFAOYSA-N 450.524 2.060 30 10 JEEE N#Cc1cc(F)ccc1N1CCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CC1 1648066924 IDJROQCUOIKXRG-NRFANRHFSA-N 452.559 2.290 30 10 JEEE CCOC(=O)c1n[nH]c(C2CCN(S(=O)(=O)c3ccc(C(F)(F)F)c(C#N)c3)CC2)n1 1663694277 DCRTUXHNNJTMCE-UHFFFAOYSA-N 457.434 2.440 30 10 JEEE C=C[C@H](COC)NC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1 1673330305 OIHZMUGRMPHZEE-QGZVFWFLSA-N 452.577 2.020 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CCN/C(O)=C1/N=CC=CC1=O 1689833483 KPMXVUHELUKBDN-UFZXGQNFSA-N 458.320 2.020 30 10 JEEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCOc1ccc2c(c1)OCO2 1690003054 BNCBFXFSXFATSU-DEOSSOPVSA-N 452.511 2.199 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccccc3Cl)n2CCN2CCN(C)C(C)(C)C2)CC1 1690119715 PKVFGNIDARBOPK-UHFFFAOYSA-N 456.038 2.380 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CC[C@H](F)C2)CC1 1690136636 HVLFJRLTFOZQEH-WMZOPIPTSA-N 453.522 2.029 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCOC[C@@H](C2CCC2)C1 1690238919 PDXJDPMOSDRKKE-RNQOJCNYSA-N 467.636 2.122 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)Oc2ccccc2F)CC1 1690375573 OFDNAXDIVYUYCX-PXNSSMCTSA-N 479.578 2.374 30 10 JEEE C=CCCCn1c([C@H]2CCCOC2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1690483054 HIJHEYSLZJDTMV-FQEVSTJZSA-N 458.607 2.079 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCOC2)n1CC1(C(N)=O)CCOCC1 1690560043 OFVVVDMSKMFBOH-FQEVSTJZSA-N 450.543 2.128 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(C)n(C)c1=O 1690567807 PVPRGRBGUZQXLF-QGZVFWFLSA-N 488.589 2.275 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1690661607 ARNXKSVXKMEPNM-OAHLLOKOSA-N 492.422 2.091 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@H](CNC(=O)c2ccccc2)C1 1690678040 JBPFYCZYNLRMAQ-UYAOXDASSA-N 452.559 2.078 30 10 JEEE CC(=O)NC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cscc2C)CCO1 1690965542 FXHKGJRFXZZFFV-NRFANRHFSA-N 466.567 2.488 30 10 JEEE C[C@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1690992900 BKNNMSFSIMNOCT-CTNGQTDRSA-N 451.575 2.011 30 10 JEEE C[C@H]1CN(CCCn2c(COc3ccc(C#N)cc3)nnc2N2CCOC[C@H]2C)CCCO1 1693843475 HQZJEAINIUEOFV-UXHICEINSA-N 454.575 2.455 30 10 JEEE CCN1C[C@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCO[C@H]2C)C[C@H]1C 1695812270 DOQPWYIILVVXHW-XMODTWTHSA-N 454.575 2.188 30 10 JEEE C#CCCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@@H](CC(N)=O)C1 1705510701 WIOFSAKLIKVYGT-SFHVURJKSA-N 471.631 2.442 30 10 JEEE C#CCN(C)c1nnc(Cc2csc(C)n2)n1CCNS(=O)(=O)c1ccc(C)s1 1705555511 ODMJJDZQLQOURM-UHFFFAOYSA-N 450.615 2.052 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1Cc1cccc(CS(C)(=O)=O)c1)[C@H]1CCS(=O)(=O)C1 1705562016 XMZWKHXRZLKELJ-XLIONFOSSA-N 478.640 2.011 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1Cc1nc(C)cs1)[C@H]1CCS(=O)(=O)C1 1705568457 NUHFKESHOPRPGG-KRWDZBQOSA-N 475.571 2.436 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@]1(O)CCC[C@H]1C 1705621971 TXXDDZGFOQGZFM-UZUQRXQVSA-N 459.978 2.499 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCO[C@H]1C(=C)C 1705623166 ILBIWABRRDFCTA-CTNGQTDRSA-N 458.584 2.416 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2C[C@@H](C)N2CCOCC2)CC1 1705637142 KZDWOQQKHQGERY-OAQYLSRUSA-N 482.629 2.218 30 10 JEEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 1705663636 AJGGXWKKJKJKOL-UHFFFAOYSA-N 477.638 2.397 30 10 JEEE C=C(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)Cc1ncnn1CC(F)F 1705724342 GZNQSMZIUZXJEA-UHFFFAOYSA-N 455.473 2.261 30 10 JEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](Oc2ncccc2F)C1 1705819164 FCOIOYGYDJMHLE-PKOBYXMFSA-N 494.593 2.159 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCC(=O)N2)n1CC(=O)NCC(F)(F)F 1705856868 JJELIBUVKXABFM-MRXNPFEDSA-N 466.464 2.109 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)Cc1scnc1C 1705896433 MPHGWYKQOWTBFN-UHFFFAOYSA-N 460.585 2.052 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C)C1 1705913663 UPTBVTPDXRIPRR-XLIONFOSSA-N 461.588 2.070 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1705937341 QRCAWNVCWIPYOF-NPPFBWRTSA-N 452.621 2.384 30 10 JEEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC(F)(F)CO2)[C@H](C)C1 1705998178 VRVHQFMRGRBYPU-BEFAXECRSA-N 460.485 2.210 30 10 JEEE CCc1cnc(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CC(=O)N2CCOCC2)s1 1708971479 DFRMYKQKJBQBCT-UHFFFAOYSA-N 481.582 2.091 30 10 JEEE COCCN(CCC#N)c1nnc(-c2ccc3c(c2)OCO3)n1CC1(N(C)C)CCOCC1 1712453070 AACINMPXCXWOST-UHFFFAOYSA-N 456.547 2.151 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCC(=O)NC1CC1 1722279761 QNBOBNAKPNQODP-HNNXBMFYSA-N 457.604 2.063 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 1722424802 ATXGFKBXCAFMOO-UHFFFAOYSA-N 453.547 2.388 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2cc(COC(C)(C)C)on2)CC1 1722432831 GMPCKXCOULIVHD-RUZDIDTESA-N 486.617 2.425 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)s3)n2Cc2nncn2CC)CC1 1722434675 XJHNGPNNSMFCJG-UHFFFAOYSA-N 461.393 2.184 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C)Cc2ccc(OC)cc2)CC1 1722448456 UYHCGIQOGGRYKO-AVRDEDQJSA-N 478.597 2.082 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CCNC(=O)C(C)C 1722508224 RHKADAONWGMDDH-XMSQKQJNSA-N 493.612 2.382 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)NCC)CC1 1722508404 JAGBAPPWDQUJAD-FXAWDEMLSA-N 459.620 2.467 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1722694968 NPWHPQZBNSOWEB-UHFFFAOYSA-N 454.575 2.339 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 1722700862 XIDJSDRJJKQNRU-UHFFFAOYSA-N 490.612 2.420 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1722723951 JPXVMTQHXGQXGE-BMGDILEWSA-N 480.518 2.272 30 10 JEEE Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc(C#N)cc3)n2C[C@@H]2CCCS(=O)(=O)C2)n1 1725936786 IESBJEGDLMSQBD-NRFANRHFSA-N 467.599 2.473 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1oc(CCC)nc1C)[C@@H]1CCS(=O)(=O)C1 1740621513 MOFKJZSWGPWUAQ-QGZVFWFLSA-N 454.556 2.264 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCc1ccc(F)c(F)c1)[C@H]1CCS(=O)(=O)C1 1740625131 OFRIWCPJVAHNKR-IBGZPJMESA-N 488.564 2.287 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCOC[C@@H]1OC 1740645953 WCGBAIYQKIKMQM-AABGKKOBSA-N 457.575 2.474 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2CCN2c3ccccc3C[C@H]2C)CC1 1740691079 UCOQVTQUDNLKRG-RTWAWAEBSA-N 452.603 2.209 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@H](C(N)=O)C1 1740755381 ZYBPIYDTNMGNGV-GUXCAODWSA-N 471.558 2.264 30 10 JEEE C=CCCCCn1c(N2CCO[C@H](C(=O)NC)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740866557 HLKNNIZRFHMDAP-KSZLIROESA-N 462.595 2.356 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(S(C)(=O)=O)CC1 1740923371 KQNVUWMFQPYOQP-OAHLLOKOSA-N 470.642 2.012 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC[C@H](C(=O)NCCC)C1 1740953529 IYRLRNNFNOFUHA-IBGZPJMESA-N 476.585 2.380 30 10 JEEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N(C)CCc1ccc(Br)cc1 1740963653 SJNCPYDBYZEFCR-UHFFFAOYSA-N 475.391 2.144 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCN(C2CC2)C(=O)C1 1740964750 UEVQCLAKPZFSMK-UHFFFAOYSA-N 466.586 2.268 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@]1(C)COCCO1 1748663806 AHBUCAXVPGSAJG-MZNJEOGPSA-N 450.543 2.328 30 10 JEEE C#CCCCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1748706515 LKBRUUSBBOPAQF-UHFFFAOYSA-N 496.612 2.329 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C)cc(OC)c1 1749159433 UYHSEPAIHHLLNW-FQEVSTJZSA-N 463.604 2.379 30 10 JEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCCN(C(=O)c2cccc(F)c2)CC1 1749235033 MNNJCPQISMMWQZ-UHFFFAOYSA-N 484.576 2.485 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@](C)(CC)C1 1749368925 UFUNORKHQSHUPW-UWJYYQICSA-N 455.625 2.219 30 10 JEEE C=CCN(CC=C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H](C)CN1CCOCC1 1749573174 MHHPYCBAAQTRIW-IBGZPJMESA-N 463.586 2.339 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1749655731 QJOCAHQOSJNEKC-UHFFFAOYSA-N 491.600 2.221 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(Cc2cscn2)CC1 1749683328 PSGWFFZZMHACRO-UYAOXDASSA-N 473.647 2.278 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1749738626 SDVCEFLTKLOAFE-HXUWFJFHSA-N 487.626 2.358 30 10 JEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1cccnc1OCC(F)F 1760172929 DJQLDCWBPPIGRY-UHFFFAOYSA-N 490.536 2.352 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cccc(OCC)c1)[C@H]1CCS(=O)(=O)C1 1760192196 GEOLXKJETDRVLQ-ONTIZHBOSA-N 488.610 2.076 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCNC(=O)C(C)C 1760216409 MNSMZPQZZKGUTJ-UHFFFAOYSA-N 473.581 2.300 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CC1CN(C(=O)OC(C)(C)C)C1 1760216476 OZSJYUZNTBFHPN-UHFFFAOYSA-N 466.542 2.336 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCN1CC 1760240291 MVYOGDDFJLDCPK-XLIONFOSSA-N 462.595 2.152 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC(=O)NCC(F)F 1760293592 XGAAWKIMEIDMKI-XMMPIXPASA-N 483.523 2.438 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCCCO2)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1760306718 JYFNVYOXOMZIJZ-HOTGVXAUSA-N 477.425 2.458 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1760357237 HCXOVVYUVGSPNK-IAGOWNOFSA-N 467.617 2.116 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ccc(OC)cc2)CC1 1760389881 VZQURCQWRGMAKY-FQEVSTJZSA-N 461.588 2.019 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1760527691 FOHPTNWPIDCECL-UHFFFAOYSA-N 498.481 2.193 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1760698024 AXAXGWDQUMLJEU-OZOXKJRCSA-N 481.601 2.056 30 10 JEEE CCC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCOCC2)CCN1CCOC 1765635744 IENABKQRFBZMQP-JOCHJYFZSA-N 468.602 2.295 30 10 JEEE CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1766688592 FQBFCNAOBUOFJN-UXHICEINSA-N 459.572 2.404 30 10 JEEE O=C(C1=C(O)C(=O)N(CCc2cnc[nH]2)[C@H]1c1ccc(O)c(O)c1)c1ccc2c(c1)OCCO2 1862607398 NQZUFODHRNGGCB-NRFANRHFSA-N 463.446 2.413 30 10 JEEE COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CCCN2CCOCC2)cc1O 1862630065 LLTQIBZNQSINCL-QHCPKHFHSA-N 496.516 2.430 30 10 JEEE COC(=O)c1ccc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2CCN2CCOCC2)cc1 1862755889 GTYGWCTZVNPUKE-NRFANRHFSA-N 495.488 2.292 30 10 JEEE Cc1ccc([C@@H](C#N)NC(=O)CNC(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)cc1 1867908123 RKDVNBYKMATLJB-OAQYLSRUSA-N 456.458 2.495 30 10 JEEE O=C([C@H](N=C1NS(=O)(=O)c2ccccc21)c1ccccc1)N1CCN(c2ccccn2)CC1 1869930292 WMNWPGUXJPREMJ-JOCHJYFZSA-N 461.547 2.210 30 10 JEEE C=CCn1cc(OCC(=O)Nc2ccc(OC)cc2OC)c(=O)cc1CN1CCC(O)CC1 1870391884 VOUCOHROICHXMM-UHFFFAOYSA-N 457.527 2.026 30 10 JEEE C=CCn1cc(OCC(=O)NC[C@H]2CCCO2)c(=O)cc1CN1CCN(c2ccccc2)CC1 1870542444 UBRUFFXHUOMWSM-HSZRJFAPSA-N 466.582 2.031 30 10 JEEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)s1)S(=O)(=O)CCN1C(=O)c2ccccc2C1=O 1950889501 NISHWPNFQZDEOE-UHFFFAOYSA-N 490.412 2.105 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N1CC[C@](NC(=O)OC(C)(C)C)(C(=O)O)C1 2059769851 HWTDJSNEBRYFJT-SPLOXXLWSA-N 454.524 2.154 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CC(=O)NCc2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2180980809 MRXHXVKPYRNXIK-PKOBYXMFSA-N 460.380 2.220 30 10 JEEE Cc1nn(C)c(C(=O)NCC2CN(C(=O)OCc3ccccc3)C2)c1B1OC(C)(C)C(C)(C)O1 2255824634 LISWBJXPFVMWDG-UHFFFAOYSA-N 468.363 2.026 30 10 JEEE Cc1cc(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 2255838605 IOWNWKGFVIOQII-HUUCEWRRSA-N 452.382 2.066 30 10 JEEE Cc1c(B2OC(C)(C)C(C)(C)O2)csc1C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O 2267104569 YQVSCCCXPWRFSD-HOTGVXAUSA-N 466.409 2.456 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H](O)C[C@@H]2CNC(=O)OC(C)(C)C)s1 2267110725 ICXPJQGFJZBQQR-HUUCEWRRSA-N 466.409 2.456 30 10 JEEE CC(C)(CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(O)cc1O)NC(=O)OC(C)(C)C 2267802013 MTZVFMPIVINYKL-UHFFFAOYSA-N 450.341 2.430 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CC(N)=O)C(=O)Nc1cc(Cl)ccc1B1OC(C)(C)C(C)(C)O1 2268624161 RWLMHPIGHKWEPI-OAHLLOKOSA-N 467.759 2.346 30 10 JEEE CC(C)(C)OC(=O)N1CC(CO)(C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)c2F)C1 2268638089 HHCMBLJSZXOBAG-UHFFFAOYSA-N 450.316 2.293 30 10 JEEE N#Cc1ccc(NS(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)c(Br)c1 2270541097 WSFSPJHLOWYASB-MRXNPFEDSA-N 482.312 2.442 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2F)[C@@H](O)C1 2281783995 RZBWKKRMCDRNFG-IRXDYDNUSA-N 464.343 2.225 30 10 JEEE Cc1c(C(=O)NCC23CC(CN2C(=O)OC(C)(C)C)C3)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281801097 QELBBPXDGBUNFD-UHFFFAOYSA-N 460.384 2.157 30 10 JEEE Cc1c(C(=O)N2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281801613 FZZDBBYUYZNZKV-MRXNPFEDSA-N 462.400 2.357 30 10 JEEE Cn1ncc(C(=O)N[C@@H]2[C@H]3CCCCN(C(=O)OC(C)(C)C)[C@H]32)c1B1OC(C)(C)C(C)(C)O1 2281825605 ARSXIWBESDHXHS-DJIMGWMZSA-N 460.384 2.237 30 10 JEEE CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1CNC(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2281947269 NQLDOPOQSWYTBX-KRWDZBQOSA-N 459.396 2.267 30 10 JEEE Cc1nn(C)c(C(=O)N2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2281981308 GUFWIRFDPAAPIZ-INIZCTEOSA-N 462.400 2.357 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H](C)C1 2282003855 FPWTVHDZELCTAD-HNNXBMFYSA-N 462.400 2.357 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C12CCC2 2282026082 WWIJJIYABPTPLL-CVEARBPZSA-N 458.368 2.342 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@@H]1CN(CCO)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)o1 2282198769 DQQUCEHDQGDCSY-MRXNPFEDSA-N 464.368 2.413 30 10 JEEE CC1(C)OB(c2ccccc2S(=O)(=O)NC[C@@H]2CCCCN2C(=O)C(F)(F)F)OC1(C)C 2282342447 HPVMBLBYWUSWSY-AWEZNQCLSA-N 476.326 2.208 30 10 JEEE CC1(C)OB(c2cc(C(=O)NC[C@H]3CNCCN3Cc3ccccc3)ccc2F)OC1(C)C 2282411796 KOPPQKYMKVSYLS-HXUWFJFHSA-N 453.367 2.329 30 10 JEEE CC(C)(C)OC(=O)NCc1ncc(NC(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)cn1 2282515601 UDDRONPELGALQY-UHFFFAOYSA-N 455.324 2.448 30 10 JEEE Cn1cc(C(=O)N[C@@H]2C[C@@H](CNC(=O)OC(C)(C)C)C2(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2282583297 ICFCWXZRAKUATH-GOEBONIOSA-N 462.400 2.389 30 10 JEEE Cn1cc(C(=O)N[C@H]2CC[C@H]3C[C@H]2CN3C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2282586065 UBWAJIBFYYFEJW-ZOBUZTSGSA-N 460.384 2.237 30 10 JEEE CCON(C(=O)c1c(C)nn(C)c1B1OC(C)(C)C(C)(C)O1)C1CN(C(=O)OC(C)(C)C)C1 2282591059 KRQANIRMBSHVSD-UHFFFAOYSA-N 464.372 2.041 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC1(CNC(=O)OC(C)(C)C)CCOCC1 2282682317 NGGMACGFYPFSHQ-UHFFFAOYSA-N 463.384 2.128 30 10 JEEE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1N(C)C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2282686519 TYQNYZOURQWYCK-WBVHZDCISA-N 460.384 2.493 30 10 JEEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC[C@H]1CCCCN1C(=O)OC(C)(C)C 2282700734 SENPLTHDUXKXGN-OAHLLOKOSA-N 463.388 2.024 30 10 JEEE Cn1cc(C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)c(CNC(=O)OC(C)(C)C)n1 2284058886 CHQLGOVUQHYWHY-UHFFFAOYSA-N 457.340 2.391 30 10 JEEE CN(Cc1csc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)[C@H](CCC(N)=O)NC(=O)OC(C)(C)C 2284127578 ZXEDLGWZNBWHBE-HNNXBMFYSA-N 481.424 2.165 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@H](CCC(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)C1 2294990657 CZQLMQRJCZFDIT-OAHLLOKOSA-N 481.424 2.475 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCC[C@H]2CN(C)C(=O)OC(C)(C)C)n1C 2362331134 FQWDBWIVMCWZRL-INIZCTEOSA-N 462.400 2.499 30 10 JEEE CC(C)(C#C[C@H](NN)c1cc(Br)ccc1I)S(C)(=O)=O 2365179923 QHYFSQFOJBCPTD-LBPRGKRZSA-N 471.158 2.385 30 10 JEEE NS(=O)(=O)c1ccc(NC(=O)CSc2n[nH]c(N/N=C/C=C/c3ccccc3)n2)cc1 20834103 KXLLPCPLEVVRMN-HJETYCPDSA-N 457.541 2.294 30 10 JEEE COc1cc(/C=N/Nc2nnc(SCCC(=O)NCc3ccccc3)n2N)cc(OC)c1OC 20920142 FVNMUMRWSPTVKG-AFUMVMLFSA-N 485.570 2.262 30 10 JEEE CCC[C@@H]1OC(C)=Cc2cc3c(c(O)c21)C(=O)C([C@@H]1OC[C@H](O)[C@H](CO)O1)=C(CC(C)=O)C3=O 36413276 UYZRGLQTRZRYKC-VQIKXDESSA-N 472.490 2.374 30 10 JEEE biogenic N#C[C@@H]1C(=O)N=C2NC(NCc3ccc4c(c3)OCCCO4)=NC(O)=C2[C@H]1c1ccc(O)cc1 72461241 NVYXZQQSDHSXJI-LPHOPBHVSA-N 459.462 2.234 30 10 JEEE COc1ccc([C@H]2/C(=C(/O)c3ccncc3)C(=O)C(=O)N2CCCN2CCOCC2)cc1OC 103106784 CYXBAYSAXVEZMW-VFJWVMJUSA-N 467.522 2.243 30 10 JEEE COCCOc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(Cc3ccccc3)c2=O)cc1 520335006 ACUBJPWYSPJFIC-UHFFFAOYSA-N 477.586 2.011 30 10 JEEE C#CCNC(=O)CN1CCN(C(=O)[C@@H]2C[C@H]3CCCC[C@H]3N2C(=O)c2ccc(Cl)cc2)CC1 728530694 NMGPHPLYLKVFHT-FCEUIQTBSA-N 471.001 2.007 30 10 JEEE O=C(O)CN1CCCN(C(=O)C#CCNC(=O)OCC2c3ccccc3-c3ccccc32)CC1 757472641 YXSMBIKKKADOPB-UHFFFAOYSA-N 461.518 2.147 30 10 JEEE C=C[C@@H]1OCCC[C@H]1NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 1129063475 OEJXAPUIXLGMNX-MOPGFXCFSA-N 450.557 2.098 30 10 JEEE C#C[C@H](NC(=O)c1cc(S(=O)(=O)NCC(N)=O)ccc1Cl)c1ccc(Cl)cc1F 1140477343 DWDQDXLPTDKASJ-INIZCTEOSA-N 458.298 2.000 30 10 JEEE C#CCN1CCCN(C(=O)[C@H](CCS(C)(=O)=O)Cc2cccc(Br)c2)CC1 1147291311 QHYCOKDTAQXXNH-GOSISDBHSA-N 455.418 2.210 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc(C)o3)n2CCCS(C)(=O)=O)c1 1286310699 XYMGVUPAUOIMRR-UHFFFAOYSA-N 455.540 2.337 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1CCN(C)[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1286388361 NXNGHKOCJRXKRS-IEBWSBKVSA-N 473.599 2.031 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H](c1ccc(C)cc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1286398732 NUKWPMIKISKXFZ-BHDDXSALSA-N 471.627 2.368 30 10 JEEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1CCc1nccc(C(F)(F)F)n1 1286468819 KXNKRVJARAPYJK-UHFFFAOYSA-N 462.480 2.277 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2ccc(NC(N)=O)cc2)CC1 1286473347 QYHNIRLJRIKTJV-UHFFFAOYSA-N 483.374 2.330 30 10 JEEE C#CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1286499847 LLHJKJLBHYBVFM-HXUWFJFHSA-N 455.584 2.148 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccc2F)nnc1N1CCO[C@H](CNC(C)=O)C1 1286558363 OAJCSQVBKPARJK-MZKRTTBSSA-N 457.550 2.331 30 10 JEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 1286602231 VXBIOJYPSAPYGW-UHFFFAOYSA-N 458.523 2.053 30 10 JEEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCSC2(CCCCC2)C1 1286608678 UKLAHDVDTFTABM-LJQANCHMSA-N 499.703 2.460 30 10 JEEE C=C(C)COCCn1c(N2CCN(C(=O)c3ccccn3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1286614810 YFKOAKHHFSRXKD-RUZDIDTESA-N 484.601 2.269 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1286646488 RTRHNJFRFINKSF-WZONZLPQSA-N 495.646 2.099 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)Oc2cccc(OC)c2)CC1 1286646604 TWGUBTFXBGZSFS-GHTZIAJQSA-N 491.614 2.244 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[C@@](C)(O)c2ccccc2)CC1 1286646901 XGCLICBVWJRIOJ-NZQKXSOJSA-N 475.615 2.065 30 10 JEEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](Oc2ccccn2)C1 1286688931 UPCXAHMYFTYBDE-RTBURBONSA-N 476.603 2.020 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c([C@H]2CCCOC2)nnc1N1CCS(=O)(=O)CC1)C(C)C 1286750531 CHIATYVEYRBUOR-PMACEKPBSA-N 451.637 2.106 30 10 JEEE C=CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1286771115 XWKRUJBLAZMSMP-KRWDZBQOSA-N 456.522 2.014 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1286816037 DVWVAQOQWBHHRM-QHCPKHFHSA-N 471.583 2.192 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(c2nc(C)c(C)s2)CC1 1286818298 GCZXTEJORJRPAH-UHFFFAOYSA-N 461.617 2.274 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1286823163 LEFIFXAQRHAHHF-LSTHTHJFSA-N 464.563 2.458 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](c2ccnn2C)C1 1286823876 ZMEFRFZUMDFAGY-KRWDZBQOSA-N 475.644 2.352 30 10 JEEE Cc1ccc(OCc2nnc(N3CCC(C#N)CC3)n2C[C@H]2CCN(S(C)(=O)=O)C2)cc1C 1289796418 AFOLGLZUEPBDQD-FQEVSTJZSA-N 472.615 2.495 30 10 JEEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCCS2(=O)=O)CCCO1 1291278865 DKXOJHRYFVBJQI-XLIONFOSSA-N 459.572 2.311 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)Nc3ccccn3)n2Cc2cnn(C)c2C)c1 1300332201 ZZDRGJDDSIGCOB-UHFFFAOYSA-N 483.536 2.072 30 10 JEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1300338905 IWVYYCWSLJAWSR-KRWDZBQOSA-N 473.578 2.029 30 10 JEEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1300386895 VXUREUKRLZFNAX-OXQOHEQNSA-N 488.434 2.438 30 10 JEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CCCN1CC 1300512448 JTXJQNONWSSEHI-IBGZPJMESA-N 453.616 2.104 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1CCN1CCOC(C)(C)C1 1300578474 DFVFDSFRNWGYQQ-UHFFFAOYSA-N 459.554 2.168 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2CCCN2C[C@H](C)O[C@H](C)C2)CC1 1300701401 RHVOYVGIENQQQQ-OYRHEFFESA-N 454.594 2.263 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2Cc2cc(OC)c(OCC)c(OC)c2)CC1 1300703973 XMTIAMFQYCGLKM-UHFFFAOYSA-N 476.581 2.483 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@]2(N(C)C)CCSC2)CC1 1300708371 RDWXWKJVIARVLQ-XMMPIXPASA-N 454.644 2.358 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2nnc(CC)s2)CC1 1300732202 ZABZGXFXXMOCSN-UHFFFAOYSA-N 490.593 2.157 30 10 JEEE C#CCSCCn1c(-c2ccccc2)nnc1N1CCN(Cc2nc(COC)no2)CC1 1300751176 IHVSXEDAEYLKII-UHFFFAOYSA-N 453.572 2.163 30 10 JEEE C=C(Br)Cn1c(COCC)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1300861344 GXJSFUOPRAHJCW-QGZVFWFLSA-N 469.428 2.246 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1300870983 AUBBLSDSUPUQOJ-JBACZVJFSA-N 482.585 2.080 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCNC(=O)C1 1300896173 ZYMRQYJBTWWQTE-ZIFCJYIRSA-N 460.579 2.268 30 10 JEEE C=CCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1301145756 GGFVKWQRMIDPGW-NQIIRXRSSA-N 454.623 2.270 30 10 JEEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1301207005 NHFHXZWZOYQXIA-QFIPXVFZSA-N 493.655 2.177 30 10 JEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1Cc2ccccc2O[C@H](C)C1 1301223010 LEDKKBFPAJIBJC-YLJYHZDGSA-N 461.588 2.365 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C1Cc2ccccc2C1 1301503249 XCISHARBXBQPLC-OAQYLSRUSA-N 496.612 2.492 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCN(c2cccs2)CC1 1301586325 KKJZQTOGLZBDMC-UHFFFAOYSA-N 458.613 2.253 30 10 JEEE CCCNC(=O)CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)[C@H](C)CC#N 1313480748 DBNWLLYFVXPNOI-MRXNPFEDSA-N 450.547 2.330 30 10 JEEE CCN(CC)[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)C1)c1ccco1 1313672678 AHCIPMSHUJGFMO-HXUWFJFHSA-N 463.542 2.341 30 10 JEEE CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1CC1(S(C)(=O)=O)CCC1 1314514672 ARURWPWAPTYSBJ-INIZCTEOSA-N 479.628 2.043 30 10 JEEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1358915474 FBCPALVZOJUKKN-KRWDZBQOSA-N 451.497 2.448 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCS(C)(=O)=O)CC1 1359042591 MILGELXLNCVVER-UHFFFAOYSA-N 484.409 2.262 30 10 JEEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1359053466 OIGOLTAOUPFNNV-LJQANCHMSA-N 465.627 2.220 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1359073638 YTPIVBJZTLDKQA-AUSIDOKSSA-N 468.583 2.145 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(NC(=O)OC)c1 1359113280 DVXZGOMVQCZMIB-IBGZPJMESA-N 492.602 2.240 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCc2cccc(C)n2)CC1 1359164851 BMMNXZQGAYBULY-HXUWFJFHSA-N 460.604 2.104 30 10 JEEE C=CCN(c1nnc(Cc2csc(C)n2)n1CCS(=O)(=O)N1CCSCC1)C1CC1 1359252608 YTNWJLMKFCIENU-UHFFFAOYSA-N 468.674 2.167 30 10 JEEE C=CCn1c(-c2ccccc2Cl)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1359285978 IHBJASFTHZDXNT-MRXNPFEDSA-N 451.980 2.415 30 10 JEEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1359301760 KHRIXKFJQVOLIM-WAIKUNEKSA-N 461.513 2.224 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@@H](C(N)=O)C1 1359327803 KTUCAYYDKUIZQH-RTBURBONSA-N 475.615 2.337 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC(N(C)C(C)=O)CC1 1359330824 DSAPKTUVURZNSZ-UHFFFAOYSA-N 470.599 2.474 30 10 JEEE N#Cc1cc(S(=O)(=O)N2CSC[C@@H]2C(=O)N2CCSCC2)ccc1C(F)(F)F 1474890983 GJOMJWKDEUCBRJ-CQSZACIVSA-N 451.517 2.216 30 10 JEEE C#CCCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1507570835 WCVSAHLCEUTQSZ-HHHXNRCGSA-N 477.657 2.409 30 10 JEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1507575375 FZAVQCDCRFIVRR-QUCCMNQESA-N 487.626 2.130 30 10 JEEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCNC(=O)c1ccc(C)cc1 1507610746 JRPWICOGKQFGRO-UHFFFAOYSA-N 458.570 2.260 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@]1(O)CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1507623434 SBBDEOKIEQOYBM-PIBDYAPNSA-N 499.637 2.325 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1507629921 XXIHSOKHXBELKG-OALUTQOASA-N 474.583 2.158 30 10 JEEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1CCc1nnc2n1CCCCC2 1507672473 CUVATGWUVUYYSL-UHFFFAOYSA-N 476.610 2.293 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccccc3Cl)n2C[C@H](C)N2CCN(CC)CC2)CC1 1507722573 AKKIXCOTFPBZCF-FQEVSTJZSA-N 456.038 2.380 30 10 JEEE C#CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)C[C@H]1CCCOC1 1507751924 PNBMIBOPLJBORV-QGZVFWFLSA-N 462.645 2.467 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCS(=O)(=O)CC=C 1507773805 XDINPGWMLMUEIS-WZONZLPQSA-N 493.630 2.179 30 10 JEEE C=C(C)COCCn1c([C@@H](C)CC)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1507835970 SCBKTRMGLAITIZ-SFHVURJKSA-N 460.623 2.325 30 10 JEEE C=CCN(C)c1nnc(C(=O)NC(CC)CC)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1507971012 HSBJRVUGGFWPBC-AEFFLSMTSA-N 452.625 2.023 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CCC(CNC(C)=O)CC1 1508078061 SQKIIRIZWRLGNL-UHFFFAOYSA-N 481.420 2.424 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1508079298 QKEGDPCOTPDPRX-GHTZIAJQSA-N 471.558 2.039 30 10 JEEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(C)C)CC1 1508161428 LXZKJDZQYIPTCZ-SFHVURJKSA-N 457.666 2.403 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccnc1OCC(F)F 1509950951 GITAVYPPMNWJGN-DZGCQCFKSA-N 454.503 2.006 30 10 JEEE CCOc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1CC1(C(N)=O)CCCC1 1516340672 BPPKLUSZNHSAIL-KRWDZBQOSA-N 454.531 2.030 30 10 JEEE COc1ccc(Br)c(-c2nnc(N3CCC(CC#N)CC3)n2Cc2nnn(C)n2)c1 1518064434 BQWVUKIWYZESLI-UHFFFAOYSA-N 472.351 2.418 30 10 JEEE COc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N(C)Cc2ccc(C#N)cc2)c(OC)n1 1518254322 DNLCYRDYERYTPE-UHFFFAOYSA-N 461.526 2.483 30 10 JEEE CN(C)C(=O)CNC(=O)c1ccc(NC(=O)c2ccn(-c3cccc(C#N)c3)n2)cc1Cl 1518585520 BOLSKKDPEBFNRL-UHFFFAOYSA-N 450.886 2.468 30 10 JEEE C#CCCOc1ccc(C(=O)N2CCN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)CC2)cc1 1524341385 FVUBQRPVZGNNLM-UHFFFAOYSA-N 457.508 2.452 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)c1ccc(F)cc1 1539017049 XJUGIYYPFCBLME-LPHOPBHVSA-N 463.579 2.186 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCOc2ccc(Cl)cc2)CC1 1539466872 IRZYHJOVTSULSU-UHFFFAOYSA-N 484.988 2.212 30 10 JEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1539490348 BAJYXBKPXDXAJB-QGZVFWFLSA-N 464.636 2.476 30 10 JEEE C#CCSCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCNC(=O)[C@@H]1CC 1539513533 KNMITCDGHJKLSS-MSOLQXFVSA-N 476.647 2.474 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1539917005 QDBXTWVXYMTRGR-FQEVSTJZSA-N 494.706 2.163 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC1(O)CCOCC1 1540129705 XGOINHXYHBPNFF-NRFANRHFSA-N 485.610 2.176 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccn(CC)c1=O 1540187574 QZBTZYKDRZPQFQ-LJQANCHMSA-N 471.583 2.238 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1540866466 OBGDLOKVWUJAPH-KRWDZBQOSA-N 473.921 2.179 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCOCC)C1 1540891976 CLUKGNKUDITYEZ-ROUUACIJSA-N 451.568 2.404 30 10 JEEE C=CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1540916789 GXVGJGJMWXHVSI-KRWDZBQOSA-N 456.620 2.038 30 10 JEEE CC[C@@H](C)N(C)CCn1c(CN2CCCC2=O)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1545676322 AYYNOBYGPWMPRW-LJQANCHMSA-N 482.608 2.468 30 10 JEEE Cn1cncc1C(=O)N1CC2(CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)C[C@@H]1C(N)=O 1548379569 DXBSQPXFLHFGMK-QGZVFWFLSA-N 460.460 2.297 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2C[C@@]2(O)CCSC2)c1 1587689827 RCJRPYRTGTXKSD-QHCPKHFHSA-N 450.568 2.208 30 10 JEEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccc3OCCOC)CC2)cc1 1587863565 AMOANKSCFZCELZ-UHFFFAOYSA-N 459.568 2.139 30 10 JEEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1CN(C(=O)OC(C)(C)C)C1 1587984475 CRBAJZSKTXXBPI-UHFFFAOYSA-N 466.590 2.388 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@H](F)COC)[C@H]1CCS(=O)(=O)C1 1588030568 XNAMHSYCMOWQOJ-SZMVWBNQSA-N 468.526 2.168 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@H]1CC(F)(F)CO1)[C@@H]1CCS(=O)(=O)C1 1588070218 XIWBYBDZJORNHW-SJLPKXTDSA-N 484.500 2.047 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2CCCN2CCCO[C@@H](C)C2)CC1 1588913692 PSLWBWYBCMICAC-NRFANRHFSA-N 494.640 2.420 30 10 JEEE C=CCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1594793165 HWWUEUSHHDBEPF-NRFANRHFSA-N 450.543 2.237 30 10 JEEE C=CCN(CC=C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@]1(O)CCO[C@H]1C 1595179117 YNPVLGQHOCUHRG-JTSKRJEESA-N 460.604 2.265 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCN2C(=O)CC[C@H]2C1 1595577254 MJNIWWNDDWMWLG-HNNXBMFYSA-N 479.368 2.277 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](CN2CCCC[C@H]2C)C1 1595752688 DDCNHQAATWTKKV-RTWAWAEBSA-N 492.690 2.206 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1595789663 ZGVOQKHEFYBGLT-QFIPXVFZSA-N 479.603 2.248 30 10 JEEE COCC(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCOC[C@H]2C)CC1 1619556835 CXYWSJIMTGNTIM-UYAOXDASSA-N 482.585 2.133 30 10 JEEE COCCN(CCC#N)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCSC1 1619911672 CEPNQWVLDHKQHP-INIZCTEOSA-N 453.572 2.312 30 10 JEEE COc1ccccc1-c1csc([C@H]2CCCN(C(=O)Cn3cc(C#N)c(O)nc3=O)C2)n1 1626713196 DREKUDUWUVQCBO-AWEZNQCLSA-N 451.508 2.359 30 10 JEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC([C@H]2C(=O)Nc3ccccc32)CC1 1632084096 BWMOCKOOCMTXKA-QVKFZJNVSA-N 452.536 2.200 30 10 JEEE CCOC(=O)C1([S@@](C)=O)CCN(C(=O)COc2cccc(Br)c2C#N)CC1 1635779746 BIVJRIVPWCFNNA-HHHXNRCGSA-N 457.346 2.002 30 10 JEEE CNS(=O)(=O)C[C@@H]1CCCN1CC(=O)Nc1c(C#N)c2c(n1-c1ccccc1)CCCC2 1642215057 AMHFONWAFBZKOJ-SFHVURJKSA-N 455.584 2.180 30 10 JEEE C=CCn1c(S)nc2cc(C(=O)N3CCN(c4ccc(OCC)nn4)CC3)ccc2c1=O 1648934519 ZLGPRFMGFRSIIH-UHFFFAOYSA-N 452.540 2.022 30 10 JEEE C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@@H](O)COc2ccc(C(F)(F)F)cc2)c1 1654298802 FZZPPHJFLFGWMT-MRXNPFEDSA-N 458.458 2.339 30 10 JEEE C#C[C@H](NC(=O)Nc1cc(C(N)=O)ccc1CN1C(=O)CN(C)C1=O)c1ccc(Cl)cc1 1668025529 YRXOFYYYVQZKTL-KRWDZBQOSA-N 453.886 2.329 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@H](c1cccs1)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1689979727 GLYGDJHGKPPGAB-OALUTQOASA-N 491.683 2.337 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1CCOc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1689986630 UFNSKBULDCHWOS-GOSISDBHSA-N 457.531 2.128 30 10 JEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc(OC)c(O)c1 1690013353 LAZYIQFLZDRCDE-UHFFFAOYSA-N 464.551 2.074 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)NC(=O)OC(C)(C)C)CC1 1690375175 CFTJZXDZMLRLFL-QGZVFWFLSA-N 498.650 2.071 30 10 JEEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCCN2CCCC2)cc1 1690527310 NAAROQQJVCYVKW-FQEVSTJZSA-N 459.616 2.325 30 10 JEEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1690676269 VALFHXYNHQFOIA-NRFANRHFSA-N 468.602 2.016 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)CC2CCCCC2)CC1 1690724954 ZKCAOMIHAXPFRQ-NRFANRHFSA-N 493.674 2.392 30 10 JEEE C[C@@H]1CCCN(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2cccc(C#N)c2)C1 1693682215 FQNMFCDAUGXOJJ-NQIIRXRSSA-N 456.616 2.420 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1ccc(S(N)(=O)=O)cc1 1705631108 SAWPYZDTJMLUNW-NHCUHLMSSA-N 489.642 2.173 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCn2cc(C)cn2)CC1 1705643515 ISHUWXLQBVPQBG-FQEVSTJZSA-N 468.606 2.310 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2Cc2ccc(F)c(C)c2)CC1 1705644927 GRIGSQRPDAXEQH-SFHVURJKSA-N 457.550 2.464 30 10 JEEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN(CC(=O)Nc2c(C)cccc2C)CC1 1705658074 BKWFMALJKUFCQW-UHFFFAOYSA-N 490.637 2.479 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1705700717 XNNVZMGGYGBWRD-XPNTWCBSSA-N 474.650 2.144 30 10 JEEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(c2nccs2)CC1 1705731578 XLDXQCQZXHFNKQ-HNNXBMFYSA-N 454.622 2.322 30 10 JEEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1705805973 UAKPNOVTWJIWCC-RTBURBONSA-N 464.636 2.119 30 10 JEEE C=CCCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1705817483 LIYVHWAJOAKVSZ-OALUTQOASA-N 453.609 2.117 30 10 JEEE C=CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1CCNS(=O)(=O)CC 1705836736 DTMYECFMHSFVHS-UHFFFAOYSA-N 458.382 2.278 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)N1CCc2ccccc2C1 1705884651 UYOLKQZWXZLPMD-SIKLNZKXSA-N 473.643 2.266 30 10 JEEE C=CCn1c(N2CCN(CC(=O)N3CCCCC3)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705893390 GRPOMITZUGXJKT-BGYRXZFFSA-N 487.649 2.369 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N1CCC(S(=O)(=O)CC)CC1 1705898869 ADHAFQZPOVSWDS-UHFFFAOYSA-N 468.583 2.199 30 10 JEEE CN(C)C(=O)[C@H]1CCCN1CCCn1c(Cc2ccccc2F)nnc1N1CC[C@@](F)(C#N)C1 1710973860 CZMABGMWZHBYBA-HYBUGGRVSA-N 471.556 2.393 30 10 JEEE COCC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCc2c[nH]nc2C)CC1 1712108682 CIELMDNLVULOAD-UHFFFAOYSA-N 462.558 2.213 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(N2CCC(CO)CC2)cc1 1722274268 IPAGFFLXOYWEGR-LJQANCHMSA-N 450.587 2.229 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCOC[C@@H]1CCOC1 1722275652 ASSQRABEWRVAFT-HKUYNNGSSA-N 474.631 2.448 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@](C)(O)c1ccsc1)[C@H]1CCS(=O)(=O)C1 1722358722 FCIAKROKJHWQON-UWJYYQICSA-N 460.581 2.442 30 10 JEEE C#CCN(c1nnc([C@H]2COc3ccccc3O2)n1CCCCCOC)[C@H]1CCS(=O)(=O)C1 1722368420 RGFWGHSJQGJVLU-GHTZIAJQSA-N 474.583 2.234 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCCc1ccccc1 1722397313 PIOPAMNTZOPRHF-QFIPXVFZSA-N 469.611 2.097 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1CC1CCN(C(=O)OC)CC1 1722421886 OYMRCKVXAUUWFD-HXUWFJFHSA-N 468.533 2.487 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCN2CCCS2(=O)=O)CC1 1722434847 XOZRFZBSTXWWKW-UHFFFAOYSA-N 470.643 2.033 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)c2ccccc2F)CC1 1722446882 ARACWROKDCJXAG-FQEVSTJZSA-N 466.561 2.312 30 10 JEEE C#CCSCCn1c(-c2cc3ccccc3o2)nnc1N1CCN(CC(=O)NCC)CC1 1722454439 KYSLMJAQHZQJOO-UHFFFAOYSA-N 452.584 2.316 30 10 JEEE C#CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1722459175 DZBYDETWXCCOMW-FQEVSTJZSA-N 482.658 2.171 30 10 JEEE C#CCSCCn1c(CCc2ccccc2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1722461966 KNUCGOJQZQMEON-UHFFFAOYSA-N 466.655 2.174 30 10 JEEE C=C(Br)Cn1c(Cc2ccccn2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1722488238 DEFKSQDUNQWCDB-UHFFFAOYSA-N 483.436 2.471 30 10 JEEE C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 1722519011 AQNGONFPCBYGGA-UHFFFAOYSA-N 478.532 2.401 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCOCC1 1722664271 VDLSYOLLRKFNOS-LJQANCHMSA-N 481.644 2.292 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Br)nnc1N1CCO[C@@H](C#N)C1 1722725399 KVTCNKQDFYDMKA-AWEZNQCLSA-N 466.361 2.037 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCC(S(=O)(=O)CC)CC1 1722725643 QDZZDGZVAVVXKG-UHFFFAOYSA-N 470.592 2.089 30 10 JEEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCOc2ncccc2F)CC1 1722793649 CLKSNAYFCNCNCQ-UHFFFAOYSA-N 465.489 2.010 30 10 JEEE CC(C)CC[C@](C)(O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@@H](C#N)C1 1723361604 CTPBRDAFPYCCHM-XDHUDOTRSA-N 465.558 2.108 30 10 JEEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1Cc1ccc(NC(=O)N(C)C)cc1 1726403578 HRMGOEIYVKVPGL-INIZCTEOSA-N 460.546 2.105 30 10 JEEE CN(CC(=O)N1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1CCC[C@@H]1CCCCO1 1729372757 GMUOZKQAKFSGHN-NRFANRHFSA-N 452.559 2.461 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1Cc1conc1COC 1740680448 BUPZNNALWZQDNF-UHFFFAOYSA-N 463.336 2.315 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCCC(F)(F)F)CC1 1740703069 FJBKFSPYWJSWBP-HXUWFJFHSA-N 457.497 2.239 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2Cc2ccc([C@@H](C)O)cc2)CC1 1740707359 ZCMREHFNQZYOPT-LJQANCHMSA-N 458.566 2.331 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCCOc1ccc(F)cc1 1740782278 KOAJQFBDPKBKTL-LJQANCHMSA-N 467.567 2.232 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](COCc2ccccc2)C1 1740782470 FEYTUNJVWHMYGE-SFTDATJTSA-N 475.615 2.230 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@H]1COCCO1 1740923759 UUEFNSZGSFMSRN-SJORKVTESA-N 452.602 2.240 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(CC(N)=O)CC1 1740953194 YDCXSXZRQRFGDI-OAHLLOKOSA-N 460.966 2.466 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CC[C@H](C(=O)N(C)c2ccccc2)C1 1740961987 OKNAZXXHMCHZCK-FQEVSTJZSA-N 459.554 2.055 30 10 JEEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1740962747 NEESZBJPZUMCHR-UHFFFAOYSA-N 465.602 2.092 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CC2CCN(CC(F)(F)F)CC2)C1 1740969854 BZWIOJQKFVHSNC-QGZVFWFLSA-N 458.529 2.472 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2cccc(F)c2F)C1 1740978964 AIHCSRSOEAHPSR-IRXDYDNUSA-N 452.527 2.482 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1740993264 VNQIONBBEIPBAA-KRWDZBQOSA-N 495.596 2.489 30 10 JEEE CC(=O)N1CC[C@H](CN(C)c2nnc(COc3ccc(C#N)cc3)n2CC[C@H]2CCOC2)C1 1741034444 RZXYOQSMWLLCHQ-LEWJYISDSA-N 452.559 2.460 30 10 JEEE CCO[C@@]1(c2nnc(N(C)[C@H](C)CC#N)n2CCn2cc(Br)cn2)CCOC1 1746645848 ALHVDPOWENAKKV-KDOFPFPSSA-N 452.357 2.328 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC[S@@](=O)C(C)(C)C 1748913886 APBSYYDWUSFZQH-SSEXGKCCSA-N 465.645 2.202 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2cccc(OCCCOC)c2)CC1 1748990407 HSAOYVNUFFDBJY-JOCHJYFZSA-N 453.587 2.391 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCN(CC(F)(F)F)C1 1749067575 UWOAOZAVRYMOFS-FRQCXROJSA-N 459.538 2.057 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1749268506 BWTJJRMGFLNZIU-LJQANCHMSA-N 460.991 2.127 30 10 JEEE C=CCCOCCn1c(-c2ccccc2F)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1749452060 MXGHDGGVUPIQHZ-UHFFFAOYSA-N 465.533 2.497 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](CC)Oc1cccc(F)c1 1749489331 UPBWPIGHQRIJAH-HKUYNNGSSA-N 467.567 2.230 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(NC(=O)OC)c1 1749575107 LPKZLLRTVKCTAI-IBGZPJMESA-N 490.586 2.016 30 10 JEEE C=CCn1c(-c2cc(Br)cn2C)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1749608013 DFJZRKOEUJJMIM-UHFFFAOYSA-N 464.412 2.223 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N(C)Cc1ncc(Cl)n1C 1749653175 XKSIXXZWRLTCBP-UHFFFAOYSA-N 481.786 2.372 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1749681087 WQLATEZJZGBGQX-QGZVFWFLSA-N 460.510 2.013 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC(=O)N(C)C)C1 1749710400 WTXPPDLSELPKIL-ZWKOTPCHSA-N 462.595 2.262 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OCC)CCOC3)n2CC2([S@@](C)=O)CCC2)c1 1760124838 BMXPXMJYEGIPPM-YQPGIBNTSA-N 499.637 2.288 30 10 JEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(N(C)C(=O)OCC)CC1 1760137611 LAVAGBBJRYWAPW-QGZVFWFLSA-N 451.593 2.041 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1CC1(N(C)C)CCOCC1 1760195600 HIBWARSCSKDRHV-UHFFFAOYSA-N 459.392 2.230 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1sccc1Br 1760205598 FTGCQGHXBFDPOL-ZDUSSCGKSA-N 453.387 2.125 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3)n2CC2(S(C)(=O)=O)CCC2)CC1 1760255100 BYQYYTUYEWPEET-UHFFFAOYSA-N 492.443 2.430 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2N(C)CCCC2(C)C)CC1 1760261422 RCBWNYXQNSJOFI-FQEVSTJZSA-N 469.659 2.145 30 10 JEEE C=C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCCc2cnn(C)n2)CC1 1760384384 VTAXPUPVCGRELU-UHFFFAOYSA-N 470.603 2.113 30 10 JEEE C=CCCOCCn1c([C@@H]2CCCCO2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1760450110 DKQSCZFZHMJFFP-SFHVURJKSA-N 496.659 2.388 30 10 JEEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1760461361 QNGMHGUFSXBDRY-MRXNPFEDSA-N 487.552 2.124 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC2(CCCCC2)O1 1760464193 BRJZLKGKKHKIIS-MSOLQXFVSA-N 453.609 2.115 30 10 JEEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1760507382 CIIKLWINDREGGN-HXUWFJFHSA-N 485.614 2.100 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1760516132 VONPBQXEJNEHRO-HXUWFJFHSA-N 482.610 2.278 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](CNC(C)=O)C1 1760528581 HBDAVXZTQRSNDM-MOPGFXCFSA-N 489.621 2.005 30 10 JEEE CC(=O)N1CCC(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@H](C)[C@@H](O)C2)CC1 1760590982 YIZJCHGNQWQXIZ-VGSWGCGISA-N 452.559 2.194 30 10 JEEE CS(=O)(=O)N1CCC(C(=O)N2CCOc3ccc(NC(=O)c4cccc(C#N)c4)cc32)CC1 1858461291 FAWJOZKUXCHDLJ-UHFFFAOYSA-N 468.535 2.208 30 10 JEEE C=CCNC(=O)[C@@H](CCSC)NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccccn1)C2=O 1861513886 VLADCGUXHGXJDT-LJQANCHMSA-N 452.536 2.032 30 10 JEEE O=C(C1=C(O)C(=O)N(CCCN2CCOCC2)[C@H]1c1ccc(O)c(O)c1)c1ccc2c(c1)OCCO2 1862606857 BLWJPYHGPBMVAY-QHCPKHFHSA-N 496.516 2.170 30 10 JEEE C=CCn1cc(OCC(=O)Nc2cc(C)ccc2OC)c(=O)cc1CSc1nnnn1C 1870257029 CELBALNDEFIGIV-UHFFFAOYSA-N 456.528 2.185 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCc2ccc(OC)cc2)cn1C[C@@H](C)O 1870648541 BAABHKABLXQTDI-LJQANCHMSA-N 455.555 2.107 30 10 JEEE COc1ccc(/C=N/n2c(SCC(N)=O)nnc2[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1 1874209992 ITSOIZFUHXITDB-SAMQYFKISA-N 464.551 2.262 30 10 JEEE COc1ccc(S(=O)(=O)N2CCC(OCC#CCN3CCN(C(C)C)CC3)CC2)cc1F 1889707161 INOBFMKXKFXPIK-UHFFFAOYSA-N 467.607 2.033 30 10 JEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C(=O)NC2CC(B3OC(C)(C)C(C)(C)O3)C2)[C@H]1OC 2140536359 UVANAPGPQWRCRG-JWRYVHENSA-N 454.373 2.377 30 10 JEEE CC(C)(C)OC(=O)N[C@@]1(CCC(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CCOC1 2180982288 FDAVRGYVXVKWTO-QFIPXVFZSA-N 462.356 2.178 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@](O)(CC(=O)NCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2185172150 LLSYMIXSJNWCGE-DEOSSOPVSA-N 460.380 2.364 30 10 JEEE C=C(CCNC(=O)OC(C)(C)C)CNC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](O)C(F)(F)F 2246878940 JMCCVCJGYSSICY-OLZOCXBDSA-N 455.474 2.390 30 10 JEEE CN(C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCN(C(=O)OCc2ccccc2)C1 2247820104 MKUCCKWJKXTFDU-KRWDZBQOSA-N 454.336 2.192 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CCN(C(=O)OCc2ccccc2)CC1 2247858908 RDWVRDZVKSJBFA-UHFFFAOYSA-N 453.348 2.419 30 10 JEEE CC(C)(C)OC(=O)NC[C@H](O)CNC(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2255524043 NYQMAIQIMOPUOV-CQSZACIVSA-N 454.760 2.255 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](NC(=O)c2scc(B3OC(C)(C)C(C)(C)O3)c2Cl)C1 2255600923 UWBUUDOYPZYQOP-CHWSQXEVSA-N 472.800 2.411 30 10 JEEE CN(C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CC[C@H]1NC(=O)OCc1ccccc1 2255648954 OWNDEMRIISFRAJ-RTBURBONSA-N 468.363 2.249 30 10 JEEE CN(C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1)[C@H]1CC[C@H]1NC(=O)OCc1ccccc1 2255820999 XLKQBISTODRJHY-MJGOQNOKSA-N 468.363 2.249 30 10 JEEE 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)sn1 2267155646 WVOISGGOMLXOHC-UHIISALHSA-N 461.315 2.360 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H]1NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2267364516 AHSFWIBBSJORCD-DYVFJYSZSA-N 470.372 2.316 30 10 JEEE CC(C)(C)OC(=O)N1CCC(O)(CNC(=O)c2occc2B2OC(C)(C)C(C)(C)O2)CC1 2267487228 BWEWWLHFAPXRCP-UHFFFAOYSA-N 450.341 2.071 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](CNC(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)CO1 2267488031 SWNLNBZLEIRQBF-KBPBESRZSA-N 467.397 2.102 30 10 JEEE Cn1nc(C(=O)N2CCC(CNC(=O)OCc3ccccc3)CC2)cc1B1OC(C)(C)C(C)(C)O1 2267541833 JIJNQZRMKVKIMC-UHFFFAOYSA-N 482.390 2.498 30 10 JEEE CC(C)(C)OC(=O)N1CCNC(=O)CCN(C(=O)[C@@H]2C[C@@H]2B2OC(C)(C)C(C)(C)O2)CC1 2267565921 UKIWIRFIMFRULT-CVEARBPZSA-N 451.373 2.054 30 10 JEEE CC(C)(C)OC(=O)N1CC(OCC(=O)N=c2ccc(Cl)c(B3OC(C)(C)C(C)(C)O3)[nH]2)C1 2268654831 FAPUSAUZODMFQZ-UHFFFAOYSA-N 467.759 2.031 30 10 JEEE CC(C)(C)OC(=O)N1C[C@]2(C)CC[C@@]1(C(=O)N=c1nc(B3OC(C)(C)C(C)(C)O3)[nH]s1)C2 2268711394 NBKDZZVJXBFSFL-RTWAWAEBSA-N 464.397 2.377 30 10 JEEE Cc1nc(C(=O)N2CCC[C@H](NC(=O)C(F)(F)F)CC2)c(B2OC(C)(C)C(C)(C)O2)s1 2270603097 ZYRGKOJVKUNBGE-LBPRGKRZSA-N 461.315 2.424 30 10 JEEE CC(C)(C)OC(=O)N1CCC(Oc2nccc(B3OC(C)(C)C(C)(C)O3)c2F)(C(N)=O)CC1 2280711860 COFZTCSSQVLBIS-UHFFFAOYSA-N 465.331 2.154 30 10 JEEE Cn1ncc(C(=O)N[C@@H]2CCCC23CN(C(=O)OC(C)(C)C)C3)c1B1OC(C)(C)C(C)(C)O1 2281810673 SHMVBXSVYWDIHF-MRXNPFEDSA-N 460.384 2.239 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H]2CCN(C(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)C[C@@H]2C1 2281925685 ZJMCDWVQSNGQJV-JKSUJKDBSA-N 460.384 2.428 30 10 JEEE CC(C)(C)OC(=O)NC[C@]12CCC[C@H]1CN(C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C2 2281930662 OBUWCRVKHCLHJK-WNSKOXEYSA-N 460.384 2.476 30 10 JEEE Cc1cc(C(=O)NC[C@@H]2C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C2)oc1B1OC(C)(C)C(C)(C)O1 2281965632 CXWMKRVVOMYQKL-XHSDSOJGSA-N 464.368 2.281 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCC3(CC2)CN(C(=O)OC(C)(C)C)C3)n1 2282539225 QVQXBTFJNQNDED-UHFFFAOYSA-N 460.384 2.192 30 10 JEEE Cn1cc(C(=O)N[C@]23CCC[C@H]2CN(C(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)n1 2282584030 AUSZFZMFOHIRKD-WNSKOXEYSA-N 460.384 2.239 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)[C@H]2CCC[C@H]21 2282624923 ORDYQGBZWBXHQQ-IXDOHACOSA-N 458.368 2.294 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](CNC(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)OCC12CC2 2282626323 GECDPTYHAGOTTP-OAHLLOKOSA-N 462.352 2.477 30 10 JEEE Cc1cccc(C(=O)NC[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2282687289 DJYDXTPGLRRMQE-DEOSSOPVSA-N 460.380 2.396 30 10 JEEE CC(C)(C)OC(=O)NC1(C(=O)N2CCc3cccc(B4OC(C)(C)C(C)(C)O4)c32)CC(O)C1 2284048323 KDMISPUWQKYWPX-UHFFFAOYSA-N 458.364 2.293 30 10 JEEE N#Cc1ccc(N2C[C@@H](C3CCN(C(=O)N4CCOCC4)CC3)[C@@H](C(N)=O)C2)cc1C(F)(F)F 2297650970 WWCOCZKXPVLFPW-OALUTQOASA-N 479.503 2.279 30 10 JEEE CC#CCN(CC(=O)N1C[C@H](NC(=O)OC(C)(C)C)CC[C@H]1C(=O)O)C(=O)OC(C)(C)C 2316057868 QWBPANAKWJDRAN-CVEARBPZSA-N 453.536 2.216 30 10 JEEE CCOc1ccc(C=NNc2cnn([C@H]3CCS(=O)(=O)C3)c(=O)c2Br)cc1OC 2322659923 GFIFYTCPPXXEMP-ZDUSSCGKSA-N 485.360 2.219 30 10 JEEE CCOc1cc(C=Nn2c(SCC(N)=O)nnc2[C@@H]2CC(=O)N(Cc3ccccc3)C2)ccc1O 2325918400 PMQXTCGSCIJWSD-GOSISDBHSA-N 494.577 2.358 30 10 JEEE CCCNC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1N=Cc1ccc(C(=O)OC)cc1 2329012019 OHUGLGWEEKRKJR-SFHVURJKSA-N 486.598 2.290 30 10 JEEE COc1nc(O[C@@H]2CCOC[C@H]2NC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2339834091 FSUCLGNIEJJLJE-HZPDHXFCSA-N 450.341 2.450 30 10 JEEE Cc1scc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2O)c1B1OC(C)(C)C(C)(C)O1 2343512080 SATBGCCRQTUWRJ-HOTGVXAUSA-N 466.409 2.456 30 10 JEEE CO[C@@H]1[C@H](OC)CN(C(=O)OC(C)(C)C)[C@H]1C(=O)N1C[C@@H]2[C@H](C1)[C@@H]2B1OC(C)(C)C(C)(C)O1 2358196506 LHPFRGWAYBJNJN-SISKNIMQSA-N 466.384 2.186 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H]3C[C@H]3[C@H]2CNC(=O)OC(C)(C)C)n1C 2362332416 NEPTXZGJNLNDPP-ARFHVFGLSA-N 460.384 2.013 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2[C@H]3CC[C@H]2CN(C(=O)OC(C)(C)C)C3)n1C 2362432387 QJNYGVMEIHWZQA-HOTGVXAUSA-N 460.384 2.252 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2[C@H]3C[C@@H]3CN2C(=O)OC(C)(C)C)n1C 2362478877 PYIOQYJPZUUUMX-OWCLPIDISA-N 460.384 2.013 30 10 JEEE C=CCSc1nnc(NC(=O)CSc2nnc(N/N=C/c3cnn(C(C)C)c3)n2N)s1 20920861 KZKTUAGFZGJCCD-NGYBGAFCSA-N 479.621 2.076 30 10 JEEE COc1ccc(Br)cc1C=NNc1nc2c(c(=O)n(C)c(=O)n2C)n1CC(C)C 254394804 RQVMZRQOOWHFNV-UHFFFAOYSA-N 463.336 2.307 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)NCCC(=O)N3CCN(c4ccc(F)cc4)CC3)cc2C1=O 614036183 XGQCPFKXMOTZKH-UHFFFAOYSA-N 464.497 2.076 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](Cn2ccccc2=O)c2ccccc2)s1 1139016463 WEGKJNDWUOYEJS-LJQANCHMSA-N 457.577 2.474 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCS(=O)(=O)CC1CC1 1286291847 YRMMABPMKYJYAL-QGZVFWFLSA-N 482.610 2.348 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CCc2c(C)noc2C)c1 1286307813 AXSGRVQJURQCBX-UHFFFAOYSA-N 475.553 2.418 30 10 JEEE C#CCCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1286344788 JNEBCSBEMOYOPQ-UHFFFAOYSA-N 463.542 2.424 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 1286460260 CBHVAAXAYSZLEY-SLFFLAALSA-N 486.617 2.103 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@]2(OC)CCOC2)CC1 1286474216 AHQTVQZJAMQSRN-OAQYLSRUSA-N 460.376 2.268 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2CCCOC2)CC1 1286488328 MQLRPCOCSXRLDT-OAHLLOKOSA-N 475.391 2.428 30 10 JEEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1286545533 YNWZNMRTTVXDOX-UHFFFAOYSA-N 480.392 2.063 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1286561310 AZFGEDGZWJMBOA-RXVVDRJESA-N 458.607 2.076 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2(OC)CCCCC2)CC1 1286645263 AFHOOMLBAAZKNZ-SFHVURJKSA-N 453.609 2.117 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1286792372 VYKBUAZPFOAJHR-KRWDZBQOSA-N 494.518 2.281 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1CC(F)C1 1286799439 VDCCFNWMANPNSR-XTXLOEGASA-N 493.605 2.408 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1286817173 QNWKFDYUEBGDJE-TZIWHRDSSA-N 489.642 2.102 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1CCCN(C)c1ccccc1F)[C@H]1CCS(=O)(=O)C1 1300491327 HAROFXPUGNLVQY-SFHVURJKSA-N 483.573 2.027 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC1CCC(OC)CC1)[C@H]1CCS(=O)(=O)C1 1300491529 IDIAYWIIAQKWCQ-GPJFCIFZSA-N 457.600 2.480 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CCNC(=O)c1cccc(C)c1 1300554557 FCBCGLXKBLBHHZ-UHFFFAOYSA-N 455.522 2.127 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2cccc(C(OC)OC)c2)CC1 1300724705 CEVFPDJWGWWMCL-NRFANRHFSA-N 467.570 2.088 30 10 JEEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1300770801 ZJZRKJDEUXCWRW-GOSISDBHSA-N 488.683 2.326 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2ccc(OC)cc2C1 1300871310 BGLJVHXRRJZALQ-BLIXFSHQSA-N 475.615 2.441 30 10 JEEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1301174909 WKFGPTHRSMZMEC-UHFFFAOYSA-N 466.590 2.026 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1nnc2n1CCCCC2 1303626980 AXOSJDGELKHZJW-INIZCTEOSA-N 468.587 2.453 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCOC3)n2C[C@H]2CSCCS2)n1 1359028481 UDTCOODNIIDYMW-MJGOQNOKSA-N 462.645 2.113 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCC2(OC)CCC2)CC1 1359035827 FOYQWVKHXWDKTH-HXUWFJFHSA-N 488.633 2.301 30 10 JEEE C=C(Br)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1359079216 BDJCEGFNNUNQEM-ZDUSSCGKSA-N 492.769 2.434 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)NC)CC1 1359103360 NIWYYIKWSDMJQY-LAUBAEHRSA-N 458.538 2.439 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1359104330 AHKGKVMGVBOURJ-MISYRCLQSA-N 467.636 2.409 30 10 JEEE C=C(C)Cn1c(N2CCN([C@H](C)C(=O)NC3CC3)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1359125112 PQZRNLZWHWCOLB-GGPKGHCWSA-N 487.649 2.414 30 10 JEEE C=C(Cl)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1359144807 UUQLNWTVJKNJLR-SFHVURJKSA-N 459.938 2.349 30 10 JEEE C=CCC(C)(C)Cn1c(-c2ccc(Br)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1359184711 XQQGOLOWWASHJH-QGZVFWFLSA-N 487.402 2.457 30 10 JEEE C=CCN(CCOC)c1nnc(-c2cccn2C)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1359280036 BSGTYDLWHYZPTR-MOPGFXCFSA-N 462.620 2.127 30 10 JEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cc(Cl)ccc1OC 1359287830 YJAIOUQNQHHWCS-QGZVFWFLSA-N 455.968 2.095 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1359304882 MMNXNYWQGONLHF-JOCHJYFZSA-N 479.585 2.186 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1359305202 WBVWWRXEVOYYPS-FQEVSTJZSA-N 481.601 2.050 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N(C)Cc1nc(O)c2ccccc2n1 1359329994 BQJALEABUREHEA-UHFFFAOYSA-N 465.539 2.226 30 10 JEEE C#C[C@H](NC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1OCC)c1ccc(F)cc1 1460789366 MILDMVUNKNYYHV-NRFANRHFSA-N 459.543 2.265 30 10 JEEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N2C[C@@H](O)[C@@H](CO)C2)ccc1Cl 1468867207 LNYYFAYNBPDBPM-VQIMIIECSA-N 450.944 2.147 30 10 JEEE CCC(O)(CC)Cn1c(Cc2ccccn2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1497457798 HBRWTKFUYYZBIR-UHFFFAOYSA-N 463.590 2.055 30 10 JEEE CN(C)[C@@H](Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCO[C@@H](C#N)C1)C1CC1 1503381499 BZJTVTMPCBVGSA-PMACEKPBSA-N 473.622 2.462 30 10 JEEE CNS(=O)(=O)CCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CC[C@](F)(C#N)C1 1503833179 FMPVFLMLVWZPQS-NRFANRHFSA-N 474.518 2.108 30 10 JEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 1507564413 PNSOYFWCOJAPPS-GOSISDBHSA-N 475.640 2.316 30 10 JEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)c2ccsc2)CC1 1507591632 MJOKPPNMCLQZMP-KRWDZBQOSA-N 461.613 2.054 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1cccc(OCC(C)C)c1)[C@H]1CCS(=O)(=O)C1 1507630568 CHTHNBGLYYULOU-NRFANRHFSA-N 482.610 2.388 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@H](C)Cc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1507631569 QSQRVSJJLUTORP-WIYYLYMNSA-N 482.610 2.193 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCc1sccc1C)[C@@H]1CCS(=O)(=O)C1 1507638942 HXFXFAWHAQXTSS-LJQANCHMSA-N 472.640 2.379 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2cccc(C)c2)CC1 1508070930 GNKMWLSKBNREIK-UHFFFAOYSA-N 453.591 2.134 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@H]1C[C@H](OCC)C1(C)C 1508088682 URLRKALVZRFBAR-OALUTQOASA-N 479.585 2.134 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)CCc2cnccn2)cc1 1508100860 PVJFFCGYLZRPCI-LJQANCHMSA-N 468.583 2.262 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(CC)C1CC1 1508136103 RQFRKQXWIQHUAM-UHFFFAOYSA-N 466.633 2.136 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCc2cc(OC)c(OC)cc2CC1 1508144142 QPNFJBVBNAYHDO-UHFFFAOYSA-N 460.600 2.454 30 10 JEEE CC1(C)COCCN1CCn1c(-c2ccc(C#N)cc2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1510339121 FJUGJYXYTYSBQA-NRFANRHFSA-N 486.642 2.331 30 10 JEEE CCO[C@@H]1C[C@@H](N(C)c2nnc(COc3ccc(C#N)cc3)n2CCS(C)(=O)=O)C1(C)C 1516377809 CNOVWSBYSPWWKF-RTBURBONSA-N 461.588 2.413 30 10 JEEE CN(C)C(=O)c1cccc(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@@](C)(C#N)C2)c1 1516948611 GQUBQQOROBTGAY-YKSBVNFPSA-N 484.626 2.255 30 10 JEEE C=C(Cl)C[C@H](NC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1)C(=O)OCC 1535344923 LDJSHGJHEMWLOP-MPGHIAIKSA-N 458.964 2.289 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1ccc(-n2cncn2)nc1 1538965911 RSAJTRVLLYQOGJ-MRXNPFEDSA-N 475.944 2.343 30 10 JEEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1539078753 GOUJHQXBSOVMCT-YKSBVNFPSA-N 480.661 2.322 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCOc1ccc(F)c(F)c1)[C@H]1CCS(=O)(=O)C1 1539216647 UUANJRTZUVCQTK-HNNXBMFYSA-N 461.494 2.257 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@@H]1CCC[C@@]2(CCOC2)O1)[C@H]1CCS(=O)(=O)C1 1539219544 LGOUCTCMIGPMCF-YDHSSHFGSA-N 464.632 2.222 30 10 JEEE C#CCN(c1nnc(COc2ccccc2CC)n1C[C@@](C)(O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1539231198 SYLRUHHKOZMHIR-HYBUGGRVSA-N 472.611 2.207 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1CCOC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1539231967 ZRMVNHQNGKITHF-QGZVFWFLSA-N 464.563 2.438 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(CN(CC)CC)cc2)CC1 1539427609 DWUYKQOFXXUMPE-UHFFFAOYSA-N 463.630 2.159 30 10 JEEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@H](C)[C@H](OC)C1 1539510149 FLVNFOPMBQEGEG-VQIMIIECSA-N 452.584 2.420 30 10 JEEE C=C(Br)Cn1c(-c2noc3c2COCC3)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1539594218 HVDQNODQLKVEPO-GASCZTMLSA-N 481.395 2.460 30 10 JEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(Cc2cccc(F)c2)CC1 1540005189 KFBXQLHLEFYITH-OAQYLSRUSA-N 492.621 2.039 30 10 JEEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1540019325 GRQVWXHURRWCLZ-UHFFFAOYSA-N 455.538 2.346 30 10 JEEE C=CCCOCCn1c([C@@H]2CCCCO2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1540036021 JPNVARHLIXRZBL-SFTDATJTSA-N 460.623 2.245 30 10 JEEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1540858076 GHKMRJQKMNFDBA-MSOLQXFVSA-N 459.551 2.084 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ccc(CC)cc2)C1 1540891867 ARCOGJSBTWTFJK-YADHBBJMSA-N 489.642 2.197 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@@]2(CCOC2)C1 1540897777 SAINHFQBLKHWFC-JTSKRJEESA-N 480.562 2.154 30 10 JEEE C=CCSCCn1c(CCc2ccccc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1540919130 HCMDQWLZRQDIKY-UHFFFAOYSA-N 470.643 2.156 30 10 JEEE CC(C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@](C)(O)c2ccsc2)CC1 1541703906 CGUSCFCHAYIMFX-RUZDIDTESA-N 493.637 2.433 30 10 JEEE Cc1cc(C(=O)N2CCN(c3nnc(-c4cccc(C#N)c4)n3CCC(=O)N(C)C)CC2)c(C)o1 1542134957 CWLGVOBGQHRKBK-UHFFFAOYSA-N 475.553 2.467 30 10 JEEE Cc1ccc(C(C)C)c(OCc2nnc(N(C)C[C@H](C)C#N)n2C[C@@]2(O)CCS(=O)(=O)C2)c1 1542249620 BNOXHOLUDXTPEF-JPYJTQIMSA-N 475.615 2.434 30 10 JEEE CC[C@H](C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(S(C)(=O)=O)CC1 1545691483 BVDVYIGCIUXWMY-INIZCTEOSA-N 458.588 2.135 30 10 JEEE C#CCNC(=O)CN1CCCN(C(=O)c2ccc(-c3ccc(Br)cc3)n2C)CC1 1565590031 KGFZYUMPFTWDEF-UHFFFAOYSA-N 457.372 2.352 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@](C)(O)[C@@H](C)CC)c1 1587693117 PGTIGFOVQIUWBW-RGZWJVDOSA-N 487.626 2.034 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2C[C@@H]2NC(=O)CC2(C)C)c1 1587697633 VKQDGHADGBSEDN-NRFANRHFSA-N 471.565 2.235 30 10 JEEE C#CCCCn1c(Cc2cccnc2)nnc1N1CCCN(Cc2nc([C@H](C)OC)no2)CC1 1587869911 SXXHFMAGTXMFMZ-IBGZPJMESA-N 464.574 2.480 30 10 JEEE C#CCCCn1c(Cc2csc(C)n2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1587870287 YZSAEPSQUMAVEJ-JOCHJYFZSA-N 463.611 2.396 30 10 JEEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCS(=O)(=O)C(C)(C)C 1587974832 BTDLFWXMDWXAOA-UHFFFAOYSA-N 470.599 2.348 30 10 JEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCn1cc([C@@H]2CCOC2)cn1 1587989902 QAIORYSCPXEHDU-QUCCMNQESA-N 485.589 2.057 30 10 JEEE C#CCN(c1nnc(C(C)C)n1CCCCn1cc(Br)cn1)[C@H]1CCS(=O)(=O)C1 1588030441 VNMSGRQEICMIOC-KRWDZBQOSA-N 483.436 2.468 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1588035195 PXYPBCBPZOZVTM-DOTOQJQBSA-N 466.510 2.210 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H]1CCC=CO1)[C@@H]1CCS(=O)(=O)C1 1588040491 NQWLQRMEPMDMBR-MJGOQNOKSA-N 472.567 2.282 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1Cc1cc2c(cc1OC(F)F)OCO2 1588173514 DCTSLOOHZOWOPI-UHFFFAOYSA-N 459.453 2.258 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(=O)N[C@H](C)CC)c1 1588386215 NXZUJBCRPIIXLQ-YLJYHZDGSA-N 457.600 2.216 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCSCC2)cc1 1588386636 QMJOKDDHYDNQBZ-LJQANCHMSA-N 459.641 2.241 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1CCOCC1 1588550624 WJEMPDLPSWXQDQ-HXUWFJFHSA-N 489.617 2.070 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCSC(F)(F)F 1588612153 BAFCXEGNSSRRJS-UHFFFAOYSA-N 452.466 2.260 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccccc2Cl)n1 1588722726 DNYOFVVKDTVZPK-FQEVSTJZSA-N 467.961 2.414 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCSCC(C)C)CC1 1588768093 AQRFXQARLAZWDR-UHFFFAOYSA-N 461.657 2.493 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H]2[C@@H](C)CCN2C(=O)OC(C)(C)C)CC1 1588812487 RTVQUHCJMBWDMG-XUVXKRRUSA-N 458.607 2.183 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(F)cc3Br)n2CCOC)CC1 1588907485 CUPHWFHEZWSLBM-UHFFFAOYSA-N 464.339 2.459 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCCCSC)CC1 1588923671 IOMZEXCECJUUDK-UHFFFAOYSA-N 493.637 2.301 30 10 JEEE C=C(C)COCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@](C)(C(=O)NC)C1 1593747400 VRSPLRGIIPXZEJ-KOSHJBKYSA-N 492.621 2.142 30 10 JEEE CC(C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCS(=O)(=O)c1ccccc1 1602821861 HJJWWAMHXVNXGI-UHFFFAOYSA-N 465.583 2.469 30 10 JEEE CC(C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[S@@](=O)C(C)(C)C)CC1 1610129983 GYERPMUJDWXNIL-UUWRZZSWSA-N 485.658 2.011 30 10 JEEE CC(C)(C)NC(=O)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@@](C)(C#N)C1 1611765072 DRDWDSPCKKQVTG-QHCPKHFHSA-N 462.562 2.356 30 10 JEEE COC(=O)c1ccc(S(=O)(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)s1 1622327116 AYPCBTVZVMYJPB-UHFFFAOYSA-N 457.537 2.307 30 10 JEEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H](CO)CN(C)C)c1 1626966955 XKXYUYUQHSQKCC-INIZCTEOSA-N 451.976 2.374 30 10 JEEE C=CCN(C(=O)c1cc(OC)c(S(N)(=O)=O)s1)[C@@H](Cc1ccccc1)C(=O)OCC 1632976981 IEQUFBQADGXDRC-HNNXBMFYSA-N 452.554 2.207 30 10 JEEE N#C[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)C[C@@H]2NC(=O)c3ccccc3NC2=O)CC1 1635679576 GAOPLCWJZNEOEK-PMACEKPBSA-N 451.914 2.190 30 10 JEEE C=C(C)CN1CCC(NC(=O)N2CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C2)CC1 1668488272 IZKSHKLBUQKGCT-SFHVURJKSA-N 451.612 2.089 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2Cc2c(CC)nn(C)c2OC)c1 1689871778 FBXZWMAUAQZMEQ-SFHVURJKSA-N 477.569 2.191 30 10 JEEE C#CCCCn1c(N(C)[C@@H](C)CS(C)(=O)=O)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1689939976 IUVJJJQXSVPTIQ-YESZJQIVSA-N 453.609 2.332 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1OCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1689982579 QHRSSYACBINGMH-DOTOQJQBSA-N 496.431 2.478 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@H](C)CN1CCN(CC)CC1)[C@@H]1CCS(=O)(=O)C1 1689986456 QLDZKKBPXDABSB-FYYLOGMGSA-N 498.697 2.154 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1Cc1conc1COC)[C@@H]1CCS(=O)(=O)C1 1689996840 PSDMWZMKIQHVEY-HXUWFJFHSA-N 499.593 2.283 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H](OC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1689997018 UIQWKLINYXIOLQ-TZIWHRDSSA-N 471.583 2.026 30 10 JEEE C#CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1[C@@H]1C[C@H]1C)[C@H]1CCS(=O)(=O)C1 1689998212 FWSJCOYITDBTCK-DFBDCSAJSA-N 463.604 2.256 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(SC)CCOCC1 1690013536 SPKWLLPMWMYWNP-UHFFFAOYSA-N 462.579 2.177 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2C[C@H](C)O[C@@H](C)C2)CC1 1690115261 YWLTZDZEONJWAX-OALUTQOASA-N 471.627 2.307 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(OC(C)C)cc2)CC1 1690144097 LSKATJUXNIFANH-NRFANRHFSA-N 464.570 2.031 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1690251748 YRTDIVQAWOGWII-WIYYLYMNSA-N 474.606 2.439 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCN1CCCS1(=O)=O 1690272750 OAPIATCUMZAEKC-HDICACEKSA-N 482.651 2.487 30 10 JEEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1CCN(c2ccncc2)CC1)C1CC1 1690537864 WASVOSWKQWBNSC-QGZVFWFLSA-N 459.620 2.355 30 10 JEEE C=CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1C[C@]1(O)CCO[C@@H]1C 1690611088 ADVNKCZPSOIOTN-AUUYWEPGSA-N 454.369 2.225 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)CC1 1690683301 GYILWOZPXVPGJS-NRFANRHFSA-N 475.615 2.460 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1690725585 VJYJSGMRVGQGBE-FQEVSTJZSA-N 492.552 2.059 30 10 JEEE C#CCCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCS(=O)(=O)CC1 1705514607 CJKZRNITOHWROZ-UHFFFAOYSA-N 468.583 2.103 30 10 JEEE C#CCN(c1nnc(Cn2ccc3ccccc32)n1CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1705568765 UWWWXQZTJMMPLW-INIZCTEOSA-N 451.474 2.470 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2cccnc2)n1CC1(C(N)=O)CCOCC1 1705620593 YPOSJIWLZLOZDU-UHFFFAOYSA-N 462.529 2.325 30 10 JEEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1705655645 IDNGXNLYMFKEON-UHFFFAOYSA-N 474.034 2.104 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2ccc(F)cc2)C1 1705662296 VNJYXTWBPKEMFX-PKOBYXMFSA-N 464.588 2.264 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(=O)NCC(F)F 1706074825 FQEXKLKGUMIENG-CABCVRRESA-N 469.537 2.370 30 10 JEEE C#CCN(c1nnc(C2CCCC2)n1CCNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1722365774 FHWIFJVMLCUBEB-KRWDZBQOSA-N 451.593 2.087 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1CCc1nccs1)[C@@H]1CCS(=O)(=O)C1 1722372014 NXBYWBDSAASINF-LJQANCHMSA-N 455.609 2.389 30 10 JEEE C#CCN(c1nnc(COc2cc(C)ccc2C(C)C)n1CCn1cncn1)[C@H]1CCS(=O)(=O)C1 1722372458 WYYSVUDQLULFAS-FQEVSTJZSA-N 497.625 2.207 30 10 JEEE C#CCN(CC)c1nnc(COc2ccc(Br)cc2)n1CC1(O)CCS(=O)(=O)CC1 1722417103 VEQTVPRMXNOVJG-UHFFFAOYSA-N 497.415 2.019 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@H]1NC(=O)CC1(C)C 1722430207 AVQKEIINYODGOW-IBGZPJMESA-N 461.570 2.439 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(C(C)(C)O)cc2)CC1 1722453022 NDQDBNPCYDVOPO-GMAHTHKFSA-N 495.624 2.244 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H](C)N1CCCCC1 1722516634 CBLMHIAROZZUDY-VQTJNVASSA-N 468.668 2.278 30 10 JEEE C=CCNC(=O)Cn1c(N2C[C@H](C)O[C@H](CC)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1722704136 ONMWVLZGTACXBO-WNRNVDISSA-N 462.595 2.355 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)CC1CCOCC1 1722728885 ZYDLRLIAJHSMPH-UHFFFAOYSA-N 472.571 2.058 30 10 JEEE C=CCSCCn1c(-c2cccn2C)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1722735275 IYZSWRYOQCRXPW-UHFFFAOYSA-N 452.588 2.023 30 10 JEEE CCOc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H](C)CN2CCN(CC)CC2)cc1OC 1728857300 COLOPRUGNIJDPE-IRLDBZIGSA-N 497.644 2.355 30 10 JEEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCN(C(C)=O)C2)C[C@H]1C 1730788334 FQOFCVPIFBIHKB-DENIHFKCSA-N 465.602 2.232 30 10 JEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl 1740575299 RPFJMHQENIPVGN-TXPKVOOTSA-N 490.457 2.435 30 10 JEEE C#CCN(c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(C)(C)CC=C)[C@@H]1CCS(=O)(=O)C1 1740618963 DVJQJSPAOGIGRH-HXUWFJFHSA-N 480.598 2.150 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)Oc2ccc(F)cc2)CC1 1740690202 PMAXJYFFYZLQKQ-SFHVURJKSA-N 463.517 2.287 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2C[C@@]2(O)CCOC2)CC1 1740703718 CFLKNZKRGQZYGI-MHZLTWQESA-N 495.624 2.487 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCOC2CCCCCC2)CC1 1740704228 KIZOLKODBPEHPT-UHFFFAOYSA-N 453.591 2.384 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2Cc2snnc2C)CC1 1740704533 RZTSRSWBJAEJQH-UHFFFAOYSA-N 451.556 2.128 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2Cc2nncn2-c2ccccc2)CC1 1740706506 ZJDSWBFIHVXULK-UHFFFAOYSA-N 460.586 2.462 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@]2(OC)CCOC2)CC1 1740707751 OKVVPHIYTGCNPG-SANMLTNESA-N 481.597 2.245 30 10 JEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1cnn(-c2ccccc2)n1 1740710103 RJOKSDFIYFURIM-UHFFFAOYSA-N 450.572 2.098 30 10 JEEE C=C(Br)Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@H](CN2CCOCC2)C1 1740736110 FLHGTDFQLNLNMT-MRXNPFEDSA-N 469.428 2.264 30 10 JEEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1740796325 VFXBIGUHDYJDCS-GBXCKJPGSA-N 498.676 2.111 30 10 JEEE C=C(Cl)Cn1c([C@H](C)OCCOC)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1740803792 NNUKAASLRHVNOC-BJLQDIEVSA-N 483.057 2.381 30 10 JEEE C=C1CCN(c2nnc(Cc3ccccc3OC)n2CCNS(=O)(=O)Cc2ccon2)CC1 1740826912 BUXZBVHXDFOPMF-UHFFFAOYSA-N 472.571 2.142 30 10 JEEE C=CCN(c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1n[nH]c(C)n1)C1CC1 1740911267 YQXHCKSZDIHMLR-QGZVFWFLSA-N 458.567 2.411 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ccccc2Cl)C1 1740982457 UMMMGTNPOHRZCK-UYAOXDASSA-N 496.033 2.288 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@H](C(=O)OC)C1 1740987305 RVIYUEZUDWVTEC-CVEARBPZSA-N 466.535 2.157 30 10 JEEE Cc1cccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(CC#N)CC2)c1 1742346037 ARBULUMJSFXOHK-HXUWFJFHSA-N 458.588 2.098 30 10 JEEE C[C@@H]1CCC[C@@]1(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1743031714 BXYFPQVORSDNTN-LYHRCORUSA-N 472.615 2.133 30 10 JEEE C[C@H]1CN(C(C)(C)Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@H](C(N)=O)C2)C[C@@H](C)O1 1743196356 APUPLQSMHPXROB-FUHIMQAGSA-N 451.575 2.016 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H](C)CN1CCN(CC)CC1 1748666416 AFYXEELMGJYOBN-RBUKOAKNSA-N 462.602 2.325 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(=O)N[C@@H](C)CC 1748672919 BLXGDGNWMPBAFP-BZSNNMDCSA-N 462.595 2.349 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1ccc(O)cc1 1748751646 JHSAURSWZUGMRF-VQTJNVASSA-N 459.572 2.072 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CC(=C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1748802196 NFEAFYIWKOPHFP-FQEVSTJZSA-N 476.562 2.266 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(C)C)n1CCN1CCOCC1(C)C 1748940413 KBXSZNWWAHZDPJ-UHFFFAOYSA-N 456.566 2.306 30 10 JEEE COc1cccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@@](C)(C#N)C2)c1OC 1748954642 BADOKVVNALMXBC-VGSWGCGISA-N 459.572 2.376 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CCc2c(OC)cc(OC)cc2OC)CC1 1748993540 BLLXKFDEVYXLED-UHFFFAOYSA-N 476.581 2.288 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@]2(C)COCCO2)CC1 1749019288 RODHTJDBJCAEEG-DEOSSOPVSA-N 487.988 2.282 30 10 JEEE C#CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1749046595 CESMTSDOCXKTJL-IBGZPJMESA-N 464.613 2.246 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](Cc2ccccc2)OC)CC1 1749342763 NTRFJIWKVILTJP-YADHBBJMSA-N 489.642 2.271 30 10 JEEE C=CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCS(=O)(=O)CC 1749430525 PTEVJDPTTVIJPJ-QGZVFWFLSA-N 471.624 2.424 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC2(S(C)(=O)=O)CCCC2)C1 1749698605 UUGQIECEGFMQPQ-AVRDEDQJSA-N 468.620 2.069 30 10 JEEE C=CCSCCn1c(CC(C)(C)C)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1749755328 FSJZAMKFBSRDBG-UHFFFAOYSA-N 468.649 2.426 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCN1CCCO[C@@H](C)C1 1760110385 CWYRQRRCDJIAQP-MOPGFXCFSA-N 473.647 2.197 30 10 JEEE C#CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCN(C(=O)COC)CC1 1760148986 RVYIERZVPURJFY-UHFFFAOYSA-N 476.375 2.425 30 10 JEEE C#CCN(c1nnc(CC)n1C[C@@H](C)N(CC)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1760185914 GZUWHVSFVGHIIG-IAGOWNOFSA-N 453.609 2.113 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCN(CC)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1760188887 QTPPLWLAFANQKQ-RBUKOAKNSA-N 495.646 2.056 30 10 JEEE C#CCN(c1nnc(CCCc2ccccc2)n1C[C@@H]1CCCN(C(C)=O)C1)[C@H]1CCS(=O)(=O)C1 1760192712 XBNNGWICGNEVLD-RPWUZVMVSA-N 497.665 2.339 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1cccnc1OCC(F)F 1760215246 TXKXLZLBTHGEHD-UHFFFAOYSA-N 489.490 2.471 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCCN2CCC[C@H]2CO)CC1 1760266744 LEEHJCFGMHSSDP-DEOSSOPVSA-N 489.624 2.019 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2CC(=O)NCc2ccco2)CC1 1760271441 YBFRVOYWZUGBRL-UHFFFAOYSA-N 490.564 2.041 30 10 JEEE C#CCSCCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1760273670 BOUWTUXRCPERCJ-KRWDZBQOSA-N 470.990 2.497 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1760416703 KYRPVFAGGQGESV-BZSNNMDCSA-N 472.594 2.136 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1760526852 VHDCDBOEOCIIQC-LJQANCHMSA-N 455.559 2.242 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCc2nc(O)c(C#N)cc2C1 1760556618 KEKSAAGYEMOKPR-UHFFFAOYSA-N 482.541 2.144 30 10 JEEE CC(C)C(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1760858091 BIRFNYXLSKWSAZ-WOJBJXKFSA-N 452.559 2.364 30 10 JEEE Cc1ccc(OCc2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@@]2(O)CCS(=O)(=O)C2)cc1C 1761831848 AMDRGBGKGXRITP-GOTSBHOMSA-N 473.599 2.154 30 10 JEEE CCCNC(=O)CCn1c(-c2ccccc2OC)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1764544445 DHJFGQQTYQOHPG-SFHVURJKSA-N 489.584 2.247 30 10 JEEE CCNC(=O)c1ccc(Cn2c(COCC)nnc2N2CCN(c3cc(C#N)ccn3)CC2)cc1 1767207946 COEKYWHRIVMODZ-UHFFFAOYSA-N 474.569 2.206 30 10 JEEE COCC[C@](C)(O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1769566039 ARHWJPGBTYGBRD-DHLKQENFSA-N 479.585 2.377 30 10 JEEE COc1ccc(Cl)cc1S(=O)(=O)Nc1c(C#N)nnn1-c1ccc(N2CCN(C)CC2)cc1 1870098835 FLIKOQGALZBWKC-UHFFFAOYSA-N 487.973 2.354 30 10 JEEE N#Cc1nnn(Cc2cc([N+](=O)[O-])cc3c2OCOC3)c1NC(=O)C1=Cc2ccccc2OC1 1870111348 JSMNSWDWMHQDBY-UHFFFAOYSA-N 460.406 2.387 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O 2060127617 KGVLOEGDMOEFEW-BBWFWOEESA-N 454.568 2.450 30 10 JEEE C#CCCOCCOCCOCCOCCOCCNC(=O)OCc1ccc(OC)cc1 2060432838 ZQOJIMGXTPHVIW-UHFFFAOYSA-N 453.532 2.028 30 10 JEEE CCNc1ncnc(-n2c(C)nc(I)c2I)c1C#N 2099536375 AHVDPDKRIMJUGC-UHFFFAOYSA-N 480.051 2.483 30 10 JEEE COC(=O)[C@H](CC(=O)NCc1cccc(B2OC(C)(C)C(C)(C)O2)c1)NC(=O)OC(C)(C)C 2180991734 QNGTWQAYJQFBDC-KRWDZBQOSA-N 462.352 2.058 30 10 JEEE Cc1ccc(S(=O)(=O)NCCNC(=O)OCc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)c1 2247952067 MFCDUPDSRPJEJC-UHFFFAOYSA-N 474.388 2.499 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CC[S@@](=O)(=NC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)C1 2255642374 FBPSYPBAVDZRGS-ICNDJQDOSA-N 471.410 2.348 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CC[S@@](=O)(=NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)C1 2255851223 NLDKIRQAPJYYNY-QJCAQRTLSA-N 454.354 2.484 30 10 JEEE C[C@H]1CCCN(C(=O)OC(C)(C)C)[C@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2256625829 CBRAVZQQZHHDOF-QWHCGFSZSA-N 452.386 2.233 30 10 JEEE CN(C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)[C@H](CNC(=O)OC(C)(C)C)C(F)(F)F 2267093690 WXPQAKWYDPGLFI-GFCCVEGCSA-N 462.278 2.237 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC(C)(C)CNC(=O)OC(C)(C)C 2267150010 BZZFSUYIRXCCDS-UHFFFAOYSA-N 450.389 2.308 30 10 JEEE CC(C)(C)OC(=O)N1CCCO[C@@H](CNC(=O)c2occc2B2OC(C)(C)C(C)(C)O2)C1 2267197394 YEFHICRROIBWDB-HNNXBMFYSA-N 450.341 2.335 30 10 JEEE CO[C@@H]1C[C@H](CNC(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)N(C(=O)OC(C)(C)C)C1 2267477376 KUFWNVIBMJFJIT-ZIAGYGMSSA-N 467.397 2.197 30 10 JEEE CC(C)(C)OC(=O)NCC[S@](C)(=O)=NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2267720277 JCXKQFIENBOEKB-HKBQPEDESA-N 488.437 2.297 30 10 JEEE COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1NC(=O)[C@H](CNC(=O)OC(C)(C)C)OC 2268669447 CWEQWPTXBHNXCL-KRWDZBQOSA-N 450.341 2.473 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)Nc1ccc(F)c(F)c1B1OC(C)(C)C(C)(C)O1 2268719822 KUUSNSFIMBEEAA-AWEZNQCLSA-N 456.295 2.478 30 10 JEEE CN1CCN(C(=O)OC(C)(C)C)[C@H](COc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2269064186 UXNMFNVASFSNJG-INIZCTEOSA-N 451.348 2.450 30 10 JEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)CN1C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2281829382 XUHOYVSIKJQUQD-HOTGVXAUSA-N 462.400 2.437 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C(F)(F)CC1 2281988425 MFULURLHTQMJSF-AWEZNQCLSA-N 470.326 2.474 30 10 JEEE Cc1nc(C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](CO)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2282131053 RFHNQPKFFUDLRM-HUUCEWRRSA-N 481.424 2.098 30 10 JEEE C[C@H](O)CN(CCNC(=O)c1c(F)cccc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2282467063 IGBAOSYVLRDPBN-HNNXBMFYSA-N 466.359 2.473 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1S(=O)(=O)N1C[C@@H]2C(NC(=O)OC(C)(C)C)[C@H]2C1 2282500886 OZAIKAHIPCWPGK-IRXDYDNUSA-N 478.420 2.438 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2CC[C@@]2(NC(=O)OC(C)(C)C)C1 2282586697 BUZTXBLHHGUDAP-NPMXOYFQSA-N 460.384 2.157 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](CNC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)OCC12CC2 2282609976 PFQCIMCPLOVIQM-CQSZACIVSA-N 479.408 2.341 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1[C@H]2CC[C@H]1CN(C(=O)C(F)(F)F)C2 2282694534 HRICKSYKHVZKOV-GJZGRUSLSA-N 455.286 2.185 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](CNS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282864810 LCSSGHOTMIEOEW-NVXWUHKLSA-N 481.424 2.353 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2CN(C(=O)c3nccnc3B3OC(C)(C)C(C)(C)O3)C[C@]2(C)C1 2283070077 UPLWIQXXUKZHHE-IQMFZBJNSA-N 458.368 2.105 30 10 JEEE CC(C)(C)OC(=O)N1CC([C@H](F)CNC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C1 2315693170 GJRMYIGOTRZZKB-CQSZACIVSA-N 455.361 2.377 30 10 JEEE CC(C)N1C[C@H](c2nnc(SCC(N)=O)n2N=Cc2cc(Br)ccc2F)CC1=O 2329013057 MGIULHOFYCGPGG-GFCCVEGCSA-N 483.367 2.364 30 10 JEEE CC(C)(C)OC(=O)NCC1(Oc2ncc(Cl)cc2B2OC(C)(C)C(C)(C)O2)CS(=O)(=O)C1 2339445161 YWIHBPJAXSHHOD-UHFFFAOYSA-N 488.799 2.105 30 10 JEEE Cc1nc(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)s1 2359267034 LGHAWDJDTMPRNB-SOHPYSCWSA-N 479.408 2.305 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC3(CC(NC(=O)OC(C)(C)C)C3)C2)n1C 2362488186 SXGIXQZXRZOTNY-UHFFFAOYSA-N 460.384 2.157 30 10 JEEE C/C(=N\Nc1nnc(SCC(=O)NCc2ccc(C)cc2)n1N)c1ccc2c(c1)OCO2 21318242 QJYMEBJYGNFSAO-ZVHZXABRSA-N 453.528 2.274 30 10 JEEE C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]1COc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 204868994 OZSTWINYGOMVIU-NVXWUHKLSA-N 476.383 2.059 30 10 JEEE C=C1C(=O)O[C@H]2C=C(C)[C@@H](OC(C)=O)CC=C(C)C[C@@H](OC(=O)[C@@](C)(O)[C@@H](C)OC(C)=O)[C@@H]12 253687703 MDEMWAXREYWVBU-OXWCYQAMSA-N 464.511 2.317 30 10 JEEE CCOC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)NCc3ccc(C#N)cc3F)CC2)cc1 609253999 SVLZYCXVIFSDFW-UHFFFAOYSA-N 474.514 2.090 30 10 JEEE CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 726312080 BPZXLMSLINVBJC-PKTZIBPZSA-N 461.566 2.339 30 10 JEEE C#CCN(C(=O)Cc1cc(OCC)c(OCC)cc1Br)[C@@H]1CCS(=O)(=O)C1 729331769 OHTNXGJYYHJUGX-OAHLLOKOSA-N 458.374 2.438 30 10 JEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccc(OC)c(Cl)c1 729672564 UYEUXNZJGDXFNR-UHFFFAOYSA-N 491.960 2.014 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)OCc3nnc4n(C)c(=O)c5cc(C)ccc5n34)cc2C1=O 918812604 QNMNYLGAZPNVHN-UHFFFAOYSA-N 457.446 2.029 30 10 JEEE CC(=O)Nc1ccc(S(=O)(=O)NN=C2C(=O)N(C)c3ccc(Br)cc32)cc1 1083931820 KIWLAIMZTMYDAX-UHFFFAOYSA-N 451.302 2.067 30 10 JEEE C#CCCN1CCN(C(=O)[C@@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc(C)cc2)CC1 1136499010 HTXJZHDKFRXKTB-DEOSSOPVSA-N 451.592 2.278 30 10 JEEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)cc1 1151170916 OWNUCRRMKBYFBB-CQSZACIVSA-N 451.907 2.479 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1(O)CC(OCC)C1 1286288533 HQMUZNVYSCRUKK-DQNLNSHTSA-N 450.543 2.063 30 10 JEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCN1CCCCC1=O 1286362987 MCUBMIVRRHZSAI-UHFFFAOYSA-N 457.604 2.019 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(Br)c2)n1CC1(O)CCOCC1 1286404637 UYUYNDMVDNZXLH-UHFFFAOYSA-N 459.344 2.331 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1c(F)cccc1F)N(C)C 1286448404 ULYVAEPHRRHVOD-CRAIPNDOSA-N 451.543 2.221 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1C[C@H](c1cccs1)N1CCOCC1 1286464533 CDSCRDQOOLZMID-WOJBJXKFSA-N 459.616 2.393 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2C[C@@H]2C[C@@H]3COC[C@@H]3N2C(=O)OC(C)(C)C)n1 1286470508 XSMIYISJGMUXNU-HJNYFJLDSA-N 499.616 2.094 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@@H]2CCOC[C@H]2OC)CC1 1286475195 ZBEYLXNENNBYIV-NZQKXSOJSA-N 469.586 2.159 30 10 JEEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](C)Cc2ccc(OC)c(OC)c2)CC1 1286476807 GDBWONAWQKYYPF-IBGZPJMESA-N 463.586 2.330 30 10 JEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CN(Cc3ccccc3)CCO2)CC1 1286652246 URCZLXSRRVTHST-DENIHFKCSA-N 488.658 2.192 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCNC(=O)C1 1286798900 NBOWAAOKXDGLFV-LJQANCHMSA-N 498.584 2.136 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCCN(C(=O)c2ccsc2)CC1 1286818123 BYSGIKDFFQTUKN-UHFFFAOYSA-N 474.612 2.288 30 10 JEEE CC(C)OC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC2(O)CCOCC2)CCO1 1288351882 AFDFNRJEJZZJFT-NRFANRHFSA-N 455.559 2.379 30 10 JEEE CCCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2CCS(=O)(=O)CC2)CC1 1294821562 BRNSMUJMBGEXDJ-UHFFFAOYSA-N 484.626 2.384 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCC(F)(F)F)c1 1300331006 GGDRZNYIPDXJFE-CQSZACIVSA-N 486.520 2.287 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CCC(=O)NC(C)(C)C)c1 1300333077 UJFYWZYZZOYCLO-UHFFFAOYSA-N 462.558 2.040 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1300479917 VFBTTWFDEVZISP-CEXWTWQISA-N 465.664 2.090 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CC(F)(F)Br)[C@H]1CCS(=O)(=O)C1 1300481911 CNWVHPRPTXIMMO-LBPRGKRZSA-N 463.304 2.461 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1CCCc1nc(C)no1)[C@@H]1CCS(=O)(=O)C1 1300504677 QCGKDLDXIXPLNB-LJQANCHMSA-N 484.582 2.116 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CCCN1S(C)(=O)=O 1300625637 JLFMVZRQSHMTJS-RTBURBONSA-N 494.662 2.276 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCCCN2CCOCC2)CC1 1300691235 QMJSSDMXMFHRFO-UHFFFAOYSA-N 473.021 2.475 30 10 JEEE C=C(C)COCCn1c(-c2cccc(C)n2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1300990886 ISHDNFQGBFQPKO-UHFFFAOYSA-N 461.574 2.481 30 10 JEEE C=C(Cl)Cn1c(-c2cnn(C)c2)nnc1N1CCC(C(=O)NCCCN2CCCC2)CC1 1301033939 LILLCAVVPOHOKL-UHFFFAOYSA-N 461.014 2.250 30 10 JEEE 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 1301297423 PYHHDNNHXIDFHM-XLAORIBOSA-N 465.620 2.305 30 10 JEEE C=CCN(CC=C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1CCS(=O)(=O)CC1 1301381270 YBKWXOKOTZBGBU-UHFFFAOYSA-N 478.644 2.241 30 10 JEEE C=CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1301436139 QBUVCVVZYQZCNI-UHFFFAOYSA-N 452.475 2.096 30 10 JEEE C=CCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)CC(C)(C)CN1CCOCC1 1301449742 AYLJDWBOPCZZMM-UHFFFAOYSA-N 461.636 2.219 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1301481742 OPSOBCPLFXZYSF-IOMROCGXSA-N 482.585 2.366 30 10 JEEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC(F)(F)CC1 1301482614 XPKZMPIOZDVSCP-UHFFFAOYSA-N 467.546 2.084 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1301497058 MUYSAEAGMSNIQY-UHFFFAOYSA-N 451.575 2.180 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2oc3ccccc3c2OC)C1 1301540140 ZOORIIBHFWQMDB-CVEARBPZSA-N 475.571 2.473 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(Cc2cccc(C)c2)CC1 1301596180 JUVLBLSCYWAUFT-OAQYLSRUSA-N 459.616 2.361 30 10 JEEE COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cccnc2OCC(F)F)CC1 1315742925 AQAOSDDSOXAWNE-UHFFFAOYSA-N 497.506 2.199 30 10 JEEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCCc1nc(C)no1 1358895068 CBCTYGAHWCALIX-FQEVSTJZSA-N 462.602 2.425 30 10 JEEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1CC1(S(C)(=O)=O)CCCC1 1358997336 OQWIPILLUGLFGV-UHFFFAOYSA-N 473.624 2.090 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCOC3)n2C[C@@H]2CSCCS2)n1 1359028480 UDTCOODNIIDYMW-IEBWSBKVSA-N 462.645 2.113 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3)n2CCC(=O)NC(C)C)CC1 1359031789 PHUVZGSHCRLXGS-UHFFFAOYSA-N 459.392 2.378 30 10 JEEE C=CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cccc(OCC(N)=O)c2)CC1 1359172692 FLDXZBSILLZABY-UHFFFAOYSA-N 461.526 2.240 30 10 JEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC1CC(OC(C)(C)C)C1 1359240292 KQLLIVBOXIWDJT-DAWZGUTISA-N 455.625 2.217 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCCN(CCC)C(=O)C1 1359333881 MXEOSUTYKOTBKY-UHFFFAOYSA-N 459.616 2.227 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCc3sccc3C2)nnc1[C@]1(OCC)CCOC1 1359335305 HQTPGAOYMVJCJR-FQEVSTJZSA-N 452.602 2.155 30 10 JEEE CC(C)(C)NC(=O)CCn1c(-c2cnccn2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1359551217 DAEHVCFOMNLCEE-HXUWFJFHSA-N 460.542 2.489 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@H](c1ccco1)N(C)C)[C@H]1CCS(=O)(=O)C1 1507633126 BJLYSLNLCHOWMO-LEWJYISDSA-N 497.621 2.400 30 10 JEEE C#CCN(c1nnc(C2CCC2)n1C[C@H]1CCN(CC(F)(F)F)C1)[C@@H]1CCS(=O)(=O)C1 1507633906 VMWPJQMMFWQIAN-DOTOQJQBSA-N 459.538 2.057 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@H](C(C)C)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1507635811 VUCCWWVGQMNSKY-FGZHOGPDSA-N 470.643 2.011 30 10 JEEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1Cc1ccc(NC(C)=O)nc1 1507671147 DFTHAGPHHPFENW-UHFFFAOYSA-N 452.522 2.381 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2cccc(NC(C)=O)c2)CC1 1507720404 UPFVUDVALHADNV-RUZDIDTESA-N 466.586 2.081 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2CCCCN2CCC[C@@H]2CO)CC1 1507724025 DIAGTZNNOHOBBM-XMMPIXPASA-N 450.631 2.169 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@]2(O)CCCC2(C)C)CC1 1507736300 ODZSKQDPJHMQBA-IZZNHLLZSA-N 487.645 2.226 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c(CC)nnc1N1CCN(C(=O)N2CCOCC2)CC1)C(C)C 1508012752 INJBJGDPFGYOIY-OAQYLSRUSA-N 459.639 2.113 30 10 JEEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@H](C)[C@H]1CC 1508073022 LQLMWAPTCGLCHR-DOTOQJQBSA-N 459.620 2.474 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ccccc2OCC)CC1 1508088341 GDEKKYWUVNBZHJ-LJQANCHMSA-N 454.575 2.200 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1508089124 VTELKGUJKMPJTI-UHFFFAOYSA-N 462.514 2.186 30 10 JEEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1508094110 GDCPPKPQHOUMIJ-IBGZPJMESA-N 454.575 2.469 30 10 JEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H]1c1cccc(F)c1 1508142290 BDKWNKFKAAEGGA-LJQANCHMSA-N 461.563 2.482 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1508144126 BNKHVDAADJCIKC-MJGOQNOKSA-N 478.018 2.086 30 10 JEEE C=CCSCCn1c(Cc2cn3ccccc3n2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1508165767 XPNRGVHSDLWPHX-SFHVURJKSA-N 460.629 2.449 30 10 JEEE CC(=O)N1CCN(CCn2c([C@@H]3CCCCO3)nnc2N(C)Cc2ccc(C#N)cc2)CC1 1508277861 HTPSUNQPTOERDJ-QFIPXVFZSA-N 451.575 2.192 30 10 JEEE C#CCn1ccc(CN(CCOC)C(=O)[C@H]2CS[C@]3(c4ccc(F)cc4)CCC(=O)N23)n1 1525226597 VFAADAFVHMRIKN-OFNKIYASSA-N 456.543 2.221 30 10 JEEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](CCCNC(=O)OC(C)(C)C)c2ccccc2)C1=O 1527275793 ZFSSKSLYOSNXEV-KRWDZBQOSA-N 458.515 2.126 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1CC1(S(C)(=O)=O)CCC1 1538974926 ZUUWPXQIIKHCNY-CYBMUJFWSA-N 454.394 2.471 30 10 JEEE C#CCN(c1nnc(-c2noc3c2COCC3)n1CC(C)(C)CC=C)[C@H]1CCS(=O)(=O)C1 1539215862 KNFWIOGEZUESLW-INIZCTEOSA-N 459.572 2.235 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1Cc1oc(CC)nc1C)[C@@H]1CCS(=O)(=O)C1 1539224986 KZECRMMXSMOFTE-LJQANCHMSA-N 483.594 2.411 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCN(CC)C1 1539266452 QTUHRHHPYZHSGE-VQTJNVASSA-N 456.591 2.001 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1C[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 1539409252 UFGSRYCXXVHBKY-GBESFXJTSA-N 467.574 2.324 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H]2CCC[C@@H](O)C2)CC1 1539427665 GMVCTRWVMSJLKF-RBBKRZOGSA-N 450.587 2.454 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2CCSC(C)C)CC1 1539487933 BKIGYGMQPFWTCL-UHFFFAOYSA-N 474.656 2.377 30 10 JEEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C(C)C)C1 1539751392 MJEUWCGRJMLAJM-RBUKOAKNSA-N 455.625 2.076 30 10 JEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccnc(OC3CCOCC3)c2)CC1 1539828376 JKFUTSMAOSNCCX-KRWDZBQOSA-N 476.603 2.046 30 10 JEEE C=CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2CCOC[C@H]2C1 1539966411 JDVDNXBHXVDGAL-WOJBJXKFSA-N 476.622 2.464 30 10 JEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(NC(=O)C2CCC2)c1 1540072399 KYPDIBTVUBSGGZ-HXUWFJFHSA-N 488.614 2.020 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CC[C@H](OCc2cccc(OC)c2)C1 1540869947 AYZNZWDVHHSIFI-FPOVZHCZSA-N 455.559 2.278 30 10 JEEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(OC2CCCC2)CC1 1540916338 AHHSSRWJTFKFRP-HXUWFJFHSA-N 499.703 2.458 30 10 JEEE CC(=O)NC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccsc2)CCO1 1541082126 AKRMPZNHKOOAOL-FQEVSTJZSA-N 452.540 2.180 30 10 JEEE Cc1cccc(CCn2c(COc3ccc(C#N)cc3)nnc2N(C)CCS(C)(=O)=O)n1 1542656505 FWUJJZMPNMQUIT-UHFFFAOYSA-N 454.556 2.156 30 10 JEEE N#Cc1cccc(NC(=O)C2CCN(C(=O)CSc3ccc(S(N)(=O)=O)cc3)CC2)c1 1546185024 FCLQPMHPWWOOHB-UHFFFAOYSA-N 458.565 2.175 30 10 JEEE N#Cc1ccc(OCc2nnc(N3CCCN(CC(F)(F)F)CC3)n2CC(=O)NCC2CC2)cc1 1555990807 HQUCKHLGUCUIKQ-UHFFFAOYSA-N 491.518 2.329 30 10 JEEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCN([C@](C)(CO)c2ccc(Br)cc2)CC1 1558685658 YJVZOTDUPOOFIX-TZIWHRDSSA-N 452.393 2.272 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCN1CCCCCC1=O 1588099488 OEEZMMSVOGIIOL-UHFFFAOYSA-N 496.637 2.061 30 10 JEEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccccc1CN1CCOCC1 1588186284 VBDXUMHACDLCCP-MHZLTWQESA-N 477.609 2.274 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCN1CCCS1(=O)=O 1588605122 ZFRNTTWTLXGFSG-UHFFFAOYSA-N 459.616 2.364 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(OC)cc3)n2Cc2ccc(F)cn2)CC1 1588961902 PYOZWTFKSSJKFQ-UHFFFAOYSA-N 478.528 2.414 30 10 JEEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1595405418 OEVQMVFTNZBXOS-GOSISDBHSA-N 498.650 2.023 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCN(c2nc(C)cc(OCC)n2)CC1 1595556023 MJKNKRHSVDZTOQ-UHFFFAOYSA-N 494.575 2.134 30 10 JEEE CCOC(=O)[C@H]1S/C(=N/C(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)N(C)[C@@H]1C 1613976233 YBVCFXCUTWBRKX-NLADNXFPSA-N 471.576 2.108 30 10 JEEE C=CCCC(=O)[C@@H]1CCCN1C(=O)C[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 1628637509 SGCOFSOAELGEJU-DFEOGRTESA-N 454.589 2.183 30 10 JEEE C#CC[C@H]1CCN(CC(=O)NCCN2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)C1 1655562605 KCBZRONIQKZDAF-VUQQOUJSSA-N 457.577 2.078 30 10 JEEE C#CCN1CCC[C@@H](NC(=O)N2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)C1 1685264940 WPTKEYGSSRZFGP-OAHLLOKOSA-N 459.399 2.107 30 10 JEEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@H]1CCCN(C(C)=O)C1 1689961399 WKWNSQRYVYTRSZ-IBGZPJMESA-N 461.570 2.393 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H](OC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1689978316 SAPXSDNEPGTUGJ-RTWAWAEBSA-N 487.626 2.445 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@](C)(O)[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1689982591 QJCGBAIGASXLJL-LLBVYWAGSA-N 455.584 2.241 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CC(C)(C)C(=O)NCC)[C@H]1CCS(=O)(=O)C1 1689983384 AJNHBUPFNYGKKB-SFHVURJKSA-N 478.018 2.388 30 10 JEEE C#CCSCCn1c(CCc2ccccc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1690180453 GDZZRCBFNMFFPZ-UHFFFAOYSA-N 468.627 2.004 30 10 JEEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCNC(=O)C(C)C 1690288102 IEXJAVJTJKWOJO-QGZVFWFLSA-N 450.584 2.371 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(=C)C 1690560413 TYGPQPRBNNMGGQ-HXUWFJFHSA-N 456.572 2.251 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2OCC)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1690677271 SSHPSKKACKWGND-LJQANCHMSA-N 485.585 2.332 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CC2CC2)CC1 1690719188 HQHSXLKIDFKDCG-UHFFFAOYSA-N 450.996 2.126 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2c[nH]c3ccccc23)nnc1N1CCN(CC(C)C)C(=O)C1 1690723650 XPYQQIUHJSQSSJ-UHFFFAOYSA-N 470.599 2.332 30 10 JEEE C[C@@]1(C#N)CCCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2(O)CCOCC2)C1 1692842590 CYIWWLBOZXRLOU-NRFANRHFSA-N 459.572 2.020 30 10 JEEE COCCN(CCC#N)c1nnc([C@H]2COc3ccccc3O2)n1CCNC(=O)C(C)(C)C 1698060663 FDOFVWXWCQNKMV-LJQANCHMSA-N 456.547 2.319 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)c1ccc2c(c1)OCCO2 1705492181 MSXSNELPIJBYIL-SJORKVTESA-N 458.584 2.387 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCC[C@H](O)C1)[C@H]1CCS(=O)(=O)C1 1705561968 WHAZOZIOYBPWIO-UXPWSPDFSA-N 473.555 2.031 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ccc(C)cc1OCC)[C@@H]1CCS(=O)(=O)C1 1705564343 AWMMOUOCTHTNDV-LJQANCHMSA-N 466.567 2.117 30 10 JEEE C#CCN(c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@](C)(O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1705565027 FPKAVZQAXAAFEM-QPPBQGQZSA-N 482.610 2.165 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(C#N)cc2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1705592586 MUYSMQYIIPZSRR-QHCPKHFHSA-N 457.582 2.222 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H]1CCCS(=O)(=O)C1 1705593919 YNKHDVRXJMJKDJ-SFHVURJKSA-N 456.568 2.250 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(C)o2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1705623952 LBRNCKSQNZSSSH-UHFFFAOYSA-N 454.531 2.187 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccccc2CN(C)C(C)C)CC1 1705647473 HAGPLBSOKGAETC-QHCPKHFHSA-N 491.640 2.084 30 10 JEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC(O)(Cc2ccccc2F)CC1 1705664110 KDUODSVCNUFBGJ-UHFFFAOYSA-N 471.602 2.480 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(OC)cc2)nnc1N(C)CC(=O)N1CCOCC1 1705709042 KFUJSMORJGDDQA-CYFREDJKSA-N 485.585 2.142 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)CN1CCOCC1 1705864788 MVYZRRFFSBWEBA-FPOVZHCZSA-N 491.633 2.480 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@]1(O)CCO[C@@H]1C 1705886099 SCHYAAYMLVLVIU-PRHHBONVSA-N 465.595 2.228 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 1705905862 JNVFWOBMAXNSHU-UHFFFAOYSA-N 469.590 2.402 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)c(Br)c2)nnc1N1C[C@H](OC)[C@H](OC)C1 1705933354 DLQSCOKHNLZDRS-HDICACEKSA-N 499.431 2.467 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1C[C@H](C)S[C@H](C)C1 1705936899 APPSEPHOWYPDOY-CALCHBBNSA-N 460.629 2.448 30 10 JEEE CC(C)CN1CCO[C@H](Cn2c(CNC(=O)c3cccs3)nnc2N(C)C[C@@H](C)C#N)C1 1706517206 COABCDOWZKRKBN-ROUUACIJSA-N 459.620 2.222 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1cccc(OCCN(C)C)c1 1706877486 AVNGFNCTTCQICL-MBSDFSHPSA-N 489.646 2.007 30 10 JEEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@H]2CCOC2)n1CCSC(F)(F)F 1708152319 CTFFTVUSRAMNSZ-KGLIPLIRSA-N 468.509 2.412 30 10 JEEE CN(C)C(=O)[C@@H]1CCCN1CCCn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1cnn(C)c1 1710972220 FSUPWXKAPRPXPE-QFIPXVFZSA-N 475.601 2.129 30 10 JEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1722317897 YGYPLGWDOSTNLT-FQEVSTJZSA-N 461.632 2.213 30 10 JEEE C#CCCCn1c(COc2ccc(OC)cc2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1722340303 UECKLLBTFLOIOP-YKSBVNFPSA-N 480.613 2.268 30 10 JEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1cccc(C(=O)N(C)C)c1 1722343051 CIMJLQKXIDSGMZ-UHFFFAOYSA-N 479.610 2.366 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CC1(OCC)CCCC1)[C@H]1CCS(=O)(=O)C1 1722365316 DDIOHRPBIOSEDU-OALUTQOASA-N 450.605 2.148 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 1722413941 SXUVLMCTINQGDR-MSOLQXFVSA-N 465.620 2.287 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccc3Cl)n2Cc2ncn(C)n2)n1 1722427612 LUHNKNKPPHMXGT-UHFFFAOYSA-N 465.949 2.258 30 10 JEEE C#CCSCCn1c(COc2ccccc2CC)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1722466054 YDORBQNZVFLIEM-UHFFFAOYSA-N 482.610 2.307 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)OC(C)(C)O2 1722682188 XYZRQFGESYWAJX-QGZVFWFLSA-N 462.572 2.375 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1722691198 OZNVDTGJUXJUDB-KBXCAEBGSA-N 471.493 2.129 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC2(CCN(C)C2=O)CC1 1722705536 DLLMECNTAICVKT-UHFFFAOYSA-N 466.586 2.225 30 10 JEEE CC(=O)N1CCCN([C@H]2CN(c3nnc(C(C)(C)C)n3Cc3ccc(C#N)o3)C[C@@H]2C)CC1 1722776086 XUQZQZHRJQRLQV-UWJYYQICSA-N 453.591 2.467 30 10 JEEE CO[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2C#N)CC1)C(C)(C)C 1729879331 GMDNCHLJOUEJMB-QUCCMNQESA-N 451.575 2.489 30 10 JEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(O)(Cc2ccc(F)cc2)CC1 1740591125 NAIFYXCTDWIHIB-IBGZPJMESA-N 460.575 2.307 30 10 JEEE C#CCN(c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCOCC)[C@H]1CCS(=O)(=O)C1 1740625726 HUPGKDRNKGZDML-IBGZPJMESA-N 495.646 2.056 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1cc(OC)ccc1OC(F)F)[C@H]1CCS(=O)(=O)C1 1740628340 POJJPBCTZIKDNX-QFBILLFUSA-N 496.536 2.415 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1740680796 NVHAPKYVYXZMMG-UWJYYQICSA-N 478.391 2.470 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ccn(C)n2)n1 1740689414 VUQHCRYRIZNSPD-FGZHOGPDSA-N 480.617 2.461 30 10 JEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 1740792285 GWAQXHZFEFYKBS-AZUAARDMSA-N 458.607 2.297 30 10 JEEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1740823171 ZHHXXHVWRSICST-MBNYWOFBSA-N 453.943 2.091 30 10 JEEE C=CCCOCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC[C@@H](NC(C)=O)C1 1740884513 CVLJBQXFZPVKFE-LJQANCHMSA-N 479.585 2.373 30 10 JEEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 1740886091 VLZVXGUWKBURIU-UYAOXDASSA-N 458.607 2.297 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1740952407 CZWRHOYZVMOHQY-SZMVWBNQSA-N 456.522 2.107 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 1740958255 MGFRCGHHQBVVAL-LJQANCHMSA-N 472.977 2.324 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1740962142 UIRPJZNJXQGKKP-BGYRXZFFSA-N 496.612 2.483 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CCN(CC(F)F)CC1 1740988164 VPAHUDBMAVOTRP-UHFFFAOYSA-N 453.559 2.495 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CC[C@@H](C)N(Cc2ccccc2)CC1 1740991858 GUNGEMSUURWCDQ-IRLDBZIGSA-N 473.643 2.484 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](C[C@H]2CCOC2)C1 1740991934 IREOQTFYTFPHQB-XUVXKRRUSA-N 452.621 2.416 30 10 JEEE CC(C)CCN(CCC#N)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(=O)N(C)C 1741516081 GHJIJUPDAPDITI-UHFFFAOYSA-N 450.547 2.046 30 10 JEEE CC[C@@H](C)[C@@](C)(O)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2ccccc2C#N)CC1 1743504276 CZLGGKCWMYJGQL-CLOONOSVSA-N 465.602 2.396 30 10 JEEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCN(CC(C)C)C2)CCO1 1748208920 CFAIUPGXCXMXGD-IRLDBZIGSA-N 465.602 2.136 30 10 JEEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCc2cc(OC)c(OC)c(OC)c2CC1 1748747035 BLPUHCPOLHTDAD-GOSISDBHSA-N 453.543 2.274 30 10 JEEE C#CCN(c1nnc(-c2ccc(Br)cc2)n1CC[S@@](=O)CC)[C@H]1CCS(=O)(=O)C1 1748809465 TYQZDCGTMAGQKH-HPGBDJQBSA-N 499.456 2.103 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1Cc1cccc(Cn2cccn2)c1)[C@H]1CCS(=O)(=O)C1 1748817605 MYSPRQRJLVYFCC-QFIPXVFZSA-N 466.611 2.396 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCCn2cnnn2)CC1 1749006002 FCQVISAOTBXJRT-UHFFFAOYSA-N 475.601 2.285 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@H](c2ccco2)N(C)C)CC1 1749010771 XBQDDWAXZSYDGP-TZIWHRDSSA-N 454.575 2.381 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCn1cc(Br)cn1 1749159435 UZSZHWMKHOMMOJ-AWEZNQCLSA-N 457.398 2.242 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(OCCc2ccccc2)CC1 1749193981 VVCPWRFXJZXVAM-JOCHJYFZSA-N 489.642 2.415 30 10 JEEE C=CC[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C)C(=O)[C@H]1C)c1ccccc1 1749385783 UIDDFLRXFRNXRS-RLLQIKCJSA-N 457.600 2.207 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1749666161 IGAZUEZKHCNGLW-UHFFFAOYSA-N 460.517 2.288 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCC(c2cnn(C)c2)CC1 1749731049 ZWVPXONCKHOQGL-UHFFFAOYSA-N 455.588 2.367 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCN(C2CCCC2)CC1 1749741246 UYWFECMWNGDQMM-FPOVZHCZSA-N 481.663 2.058 30 10 JEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN([C@H](C)c2ccsc2)CC1 1760145512 QCBLFAIADMSFFH-IAGOWNOFSA-N 450.634 2.246 30 10 JEEE C#CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1CCC[C@@H]1NC(=O)NC1=O 1760167519 SNDUGOPTYDFFKJ-AWEZNQCLSA-N 465.739 2.419 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCN1CC 1760240292 MVYOGDDFJLDCPK-YLJYHZDGSA-N 462.595 2.152 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC=C)n1 1760252237 LNDAZIFLXUSQFD-HXUWFJFHSA-N 485.589 2.255 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)CC1 1760255799 ITTJMCQIWGQJER-IBGZPJMESA-N 481.963 2.232 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCOC2CCOCC2)CC1 1760266831 NYNIAOZMDHLHFS-UHFFFAOYSA-N 476.581 2.368 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2CCc2cn[nH]c2)CC1 1760270065 IDGMJXCCIBRTEE-UHFFFAOYSA-N 453.497 2.079 30 10 JEEE C#CCSCCn1c(-c2ccc(C)o2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1760276830 QOLLBDOHJAYDGZ-NRFANRHFSA-N 472.659 2.444 30 10 JEEE C#CCSCCn1c(COc2ccc(C)cc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1760286034 ZJUOLNOEGMYYPX-UHFFFAOYSA-N 465.583 2.119 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C2CCCCC2)CC1 1760517280 IJNVBWPFIIXTLM-UHFFFAOYSA-N 486.642 2.106 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCSCC1 1760524008 NBDCUHWEAYQAPZ-INIZCTEOSA-N 450.609 2.248 30 10 JEEE N#Cc1ccccc1S(=O)(=O)Nc1ccc(NC(=O)CCN2C(=O)c3ccccc3C2=O)nc1 1858293175 LTGFIDANUVJOPS-UHFFFAOYSA-N 475.486 2.379 30 10 JEEE COc1cccc(Cc2nnc(N3CCN([C@@H](C)C(=O)Nc4ccc(C#N)cc4)CC3)nc2O)c1 1859429593 IBPUNDGOZJFNJJ-KRWDZBQOSA-N 473.537 2.197 30 10 JEEE O=C(C1=C(O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccccc1C(=O)O)c1ccc([N+](=O)[O-])cc1 1862756896 DKDPEIOKPVCWGE-HXUWFJFHSA-N 481.461 2.204 30 10 JEEE CC[C@](C)(NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(=O)N1CCN(C(C)=O)CC1 1868794737 FRBVMXHCORCPEK-XXBNENTESA-N 459.616 2.000 30 10 JEEE COc1ccc2c(c1)/C(=C/C(=O)Nc1c(C#N)nnn1-c1ccc3c(c1)C(=O)N(C)C3=O)CC2 1870150620 OZQTYEJCTCXSEA-NTEUORMPSA-N 454.446 2.342 30 10 JEEE C=CCn1c(C(=O)N2CCN(c3ccccn3)CC2)cc2c(NCCCN3CCOCC3)ncnc21 1875230449 ZYBAWLRIWBJYMS-UHFFFAOYSA-N 490.612 2.109 30 10 JEEE COC(=O)Nc1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)NCC#CCN2CCCCC2)cc1 1890877449 ARFAILBWCNJIMF-OAQYLSRUSA-N 476.599 2.014 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@H](CNC(=O)c2csc(B3OC(C)(C)C(C)(C)O3)c2)C1 2255700525 DQPZQYRLQRHPLJ-HNNXBMFYSA-N 452.382 2.413 30 10 JEEE CC(C)(C)OC(=O)NC[C@@]1(O)CCCN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)C1 2258472473 HZHILXHPHPYALG-AOMKIAJQSA-N 454.568 2.452 30 10 JEEE CCN(C(=O)OC(C)(C)C)[C@@H](C)CNC(=O)c1c(C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2267153463 BWNPWFRNIXEHFG-AWEZNQCLSA-N 450.389 2.403 30 10 JEEE Cc1nc(C(=O)N[C@@H]2COCCN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2267172122 TYIQQAYCGLNJNG-AWEZNQCLSA-N 467.397 2.116 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@@H](CNC(=O)c2occc2B2OC(C)(C)C(C)(C)O2)C1 2267190185 LEJHCXKFFDLYKY-HNNXBMFYSA-N 450.341 2.192 30 10 JEEE CC1(C)OB(c2cc(C(=O)NC[C@H]3CN(Cc4ccccc4)CCCO3)ns2)OC1(C)C 2267533749 XOTRGARRZYPESZ-SFHVURJKSA-N 457.405 2.463 30 10 JEEE Cc1sc(C(=O)N2CC(O)(CNC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1C 2267564640 IZKWFVKZYDJDPQ-UHFFFAOYSA-N 466.409 2.376 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](NS(=O)(=O)Cc2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2267709578 DRTZHTYLJUGBRF-CALCHBBNSA-N 466.409 2.461 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2269689735 DKXJPAPUTXQHPY-GUYCJALGSA-N 452.332 2.015 30 10 JEEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCC[C@H](NC(=O)C(F)(F)F)CC3)s2)OC1(C)C 2270595724 OAFHYIFUHROTKF-LBPRGKRZSA-N 482.355 2.269 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)(C(F)(F)F)C1 2281928995 UNKNMVKCBIXFEM-LJQANCHMSA-N 474.289 2.381 30 10 JEEE Cn1nc(C(=O)N2C[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]3C2)cc1B1OC(C)(C)C(C)(C)O1 2281961518 NKKXLIGVNBRUEZ-CVEARBPZSA-N 460.384 2.048 30 10 JEEE CC(C)[C@@H]1[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)CCN1C(=O)OC(C)(C)C 2281969690 AQBXWHCTVZDKJM-CRAIPNDOSA-N 462.400 2.483 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(F)c(C(=O)NC[C@@](C)(CO)NC(=O)OC(C)(C)C)c1 2282019789 QMCLMKLTSFNEEE-QHCPKHFHSA-N 466.359 2.439 30 10 JEEE Cn1cc(C(=O)N2CC3(CCN(C(=O)OC(C)(C)C)CC3)C2)nc1B1OC(C)(C)C(C)(C)O1 2282038247 GJHRTCCDEIMJMQ-UHFFFAOYSA-N 460.384 2.192 30 10 JEEE Cn1ncc(C(=O)N=[S@](C)(=O)CCCCNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2282053387 UTMMFLMUJCJHJI-MGBGTMOVSA-N 484.428 2.262 30 10 JEEE CC(C)(C)OC(=O)NC1CC(O)(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2F)C1 2282151995 ZANNUOWDHCCPEC-UHFFFAOYSA-N 464.343 2.273 30 10 JEEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCN(Cc4ccccc4)[C@@H](C#N)C3)cc2)OC1(C)C 2282421686 RKKYBDAMZABBFN-NRFANRHFSA-N 467.400 2.384 30 10 JEEE COc1ccc(S(=O)(=O)NC[C@H]2C[C@H]2NC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2282504806 UYCBMNBJSGBEII-RHSMWYFYSA-N 482.408 2.186 30 10 JEEE CCc1nn(C)c(C(=O)N[C@@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)c1B1OC(C)(C)C(C)(C)O1 2282561463 KGSTYRCZIJEBJU-LFVRLGFBSA-N 460.384 2.021 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(F)c(C(=O)N(Cc2ccccc2)CC2(O)CNC2)c1 2282600121 TZSXZVHBYWMSEC-UHFFFAOYSA-N 454.351 2.410 30 10 JEEE CC(C)(C)OC(=O)N1CC([C@H](F)CNS(=O)(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282864449 GERNOSWVSJDDLB-GOSISDBHSA-N 484.399 2.469 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](C(=O)N1Cc2cccc(B3OC(C)(C)C(C)(C)O3)c2C1)C1COC1 2284017050 JMZHXSIPPFYJIZ-LJQANCHMSA-N 458.364 2.368 30 10 JEEE CC(C)(C)OC(=O)N[C@H](C(=O)NCc1ccccc1B1OC(C)(C)C(C)(C)O1)C1(O)CCC1 2284065535 ITTRVWWEGRNWPH-GOSISDBHSA-N 460.380 2.410 30 10 JEEE CO[C@]1(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)c(C)n2)CCN(C(=O)OC(C)(C)C)C1 2284065588 JHWVIGSYBIBGER-JOCHJYFZSA-N 462.356 2.049 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2C[C@H]1CN(C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)C2 2359281207 YBWVQKKUQAYAKA-YQQAZPJKSA-N 458.368 2.151 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](CNC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C2(CC2)C1 2361525920 SDALUXCSZSNLLO-HNNXBMFYSA-N 458.368 2.153 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2C[C@@H](NC(=O)OC(C)(C)C)C2(C)C)n1C 2362491016 YXDXOZGLLFVWBR-HUUCEWRRSA-N 462.400 2.449 30 10 JEEE Cc1ccc(-n2c(=O)/c(=C\c3ccccc3Br)s/c2=C(/C#N)C(N)=O)c(C)c1 4464960 YMBPWRHUQZCSPL-PUKYQLJISA-N 454.349 2.267 30 10 JEEE C/C(=N/NC(N)=S)c1cc(I)c(O)c(I)c1 97402219 DQOUYKMWGFTDTQ-PQMHYQBVSA-N 461.066 2.159 30 10 JEEE Cc1cccc(N2C(=O)C(Sc3nc(C)cc(C)c3C#N)=C(N3CCN(CCO)CC3)C2=O)c1 526694270 HZRNZKYCPWEUEB-UHFFFAOYSA-N 477.590 2.366 30 10 JEEE CCN(CC)c1ccc([C@H]2N(C(=O)C[N+](=O)NOC)CCN2S(=O)(=O)c2ccc(C)cc2)cc1 585088836 AEMVGEYFKBOUBH-QHCPKHFHSA-N 490.606 2.218 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)C[S@@](=O)CC(=O)c2ccc(OC)cc2OC)nc1C 586350161 OYIGLEWKPQZKMU-HKBQPEDESA-N 466.537 2.382 30 10 JEEE C#Cc1cccc(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3cccc4c3OCO4)c2=O)c1 726580946 IRTUFQQYFUQNFH-UHFFFAOYSA-N 454.507 2.481 30 10 JEEE CCOC(=O)[C@@H](NS(=O)(=O)c1ccc(C#N)nc1)c1ccc(OC)c(Br)c1 1211272956 AQALEZWCUPERQX-INIZCTEOSA-N 454.302 2.307 30 10 JEEE C=C[C@@H]1OCC[C@H]1NC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N1CCN(CC)CC1 1214256481 PSAKPJBFTKDWJQ-KNQAVFIVSA-N 479.647 2.324 30 10 JEEE C#CCCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)Nc2cccc(C)c2C)CC1 1286347355 LHQNGARADDSBBS-UHFFFAOYSA-N 460.586 2.470 30 10 JEEE C#CCN(C)c1nnc(-c2ccc(F)cc2Br)n1C[C@@H]1CC(=O)N(CCOC)C1 1286367809 MJNNCYGFELQUHX-CQSZACIVSA-N 464.339 2.411 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1CC(C)(C)OC)[C@H]1CCS(=O)(=O)C1 1286383417 MMRLBVRGGLBEIU-HNNXBMFYSA-N 484.420 2.098 30 10 JEEE C#CCN(c1nnc(-c2ccccc2F)n1Cc1ccc(NC(C)=O)nc1)[C@H]1CCS(=O)(=O)C1 1286386943 KEPLOSXIKVHLTJ-SFHVURJKSA-N 482.541 2.113 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1ccc(F)c(COC)c1)[C@@H]1CCS(=O)(=O)C1 1286387914 WMHWPZPAXRZSJI-GOSISDBHSA-N 457.531 2.234 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1(C(=O)N(C)C)CCCC1 1286463342 DMWZZWYACSCTKI-UHFFFAOYSA-N 467.570 2.451 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccn3C)n2C[C@@H]2CCC[C@H](O)C2)n1 1286470880 DKUNNTXMPJMRHN-CTNGQTDRSA-N 451.575 2.317 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1CCNS(=O)(=O)Cc1ccon1 1286516422 DLMSHTULXVRGGX-HXUWFJFHSA-N 475.962 2.093 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCN1CCN(C(C)=O)CC1 1286570526 BABUGMZQHMFMCR-UHFFFAOYSA-N 454.575 2.283 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccs2)CC1 1286607902 LQFWTNOKDLNVTL-KRWDZBQOSA-N 451.618 2.161 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CCCCC1 1286746469 YOCBWRQEIFLAGC-OAQYLSRUSA-N 489.642 2.499 30 10 JEEE C=CCOc1ccc(Cn2c(Cc3cccnc3)nnc2N2CCO[C@H](CNC(C)=O)C2)cc1 1286797415 VXQMTVVHZDANLG-HSZRJFAPSA-N 462.554 2.218 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCOC[C@H]2C[C@H](O)c2ccccc2)s1 1294563095 IBEINBDMKZOUGC-MJGOQNOKSA-N 450.582 2.106 30 10 JEEE CN(CC(=O)N1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1CC(C)(C)c1ccccn1 1298197962 CXXRCGSAICBOSE-UHFFFAOYSA-N 459.554 2.485 30 10 JEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCNC(=O)c1cccc(C)c1 1300438327 LJDRDFHRQNXAFU-UHFFFAOYSA-N 479.610 2.354 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1CCCc1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 1300487674 LBPFOPJKIRQWIW-FQEVSTJZSA-N 452.584 2.247 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1oc2ccccc2c1OC 1300672101 VYBMMRDFUWBYFC-MRXNPFEDSA-N 458.540 2.069 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCNC(=O)c2cccc(O)c2)CC1 1300711131 SVCXSVHFQLMTHS-DHIUTWEWSA-N 494.640 2.478 30 10 JEEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@H](COCC)C1 1301497961 HNSKWCYGVHCDOD-INIZCTEOSA-N 451.531 2.149 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1301509354 GKEVVWAYKHQYCN-FQEVSTJZSA-N 468.602 2.469 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCSC[C@H]2C)cc1 1301526478 NYDHFKCDNKUKIF-XLIONFOSSA-N 493.655 2.166 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1301568083 NMWVGSHGTAEAEW-UHFFFAOYSA-N 468.583 2.156 30 10 JEEE CC(=O)c1cccc(S(=O)(=O)NCCC(=O)Nc2cnn(Cc3ccc(C#N)cc3)c2)c1 1302706612 CWFXZDRVUGMOKI-UHFFFAOYSA-N 451.508 2.313 30 10 JEEE CC(C)CO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1303225143 BHXSBNZFYATJKQ-PZJWPPBQSA-N 472.615 2.350 30 10 JEEE Cc1ccc(NC(=O)c2nnc(N3CCO[C@@H](C#N)C3)n2CCS(=O)(=O)C(C)(C)C)cc1C 1304381592 BIOHRBKERHMCDV-SFHVURJKSA-N 474.587 2.089 30 10 JEEE C#CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCN(C(=O)OC)CC1 1358927989 PPCJXJFWSLZOEP-UHFFFAOYSA-N 463.542 2.367 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1CCN1CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1358967892 VDKMBWZHUCYKEJ-RBUKOAKNSA-N 475.590 2.107 30 10 JEEE C#CCN1CCN(c2nnc(CCN3CCN(c4ccccc4)CC3)n2C[C@@H](OC)C(C)C)CC1 1359037922 DEZKNFDAERHXAN-RUZDIDTESA-N 479.673 2.069 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OC)n2CC[C@@H]2CCOC2)CC1 1359047372 DLGJVLOMYRPBJU-LJQANCHMSA-N 467.570 2.258 30 10 JEEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCc2nn(C)c(=O)cc2C1 1359062291 CFFPTKRMHBSAQZ-YLJYHZDGSA-N 456.616 2.220 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCS(=O)(=O)N(C)C)CC1 1359169485 KCQAAECBVKQACM-KRWDZBQOSA-N 468.624 2.398 30 10 JEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1ccco1)N1CCCCC1 1359240420 NXELDMFQEDYNFK-AZUAARDMSA-N 478.619 2.053 30 10 JEEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H](C)SC[C@@H]1C(=O)NCCC(=O)OC 1450969654 UWWHXZOBNJHASZ-HRCADAONSA-N 457.593 2.205 30 10 JEEE CO[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1)C(C)C 1503983035 AQZOTMCVXVTJBN-YADHBBJMSA-N 486.642 2.045 30 10 JEEE C#CCCCn1c(COc2ccccc2F)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1507594725 IPSOLZVXBHYKBT-UHFFFAOYSA-N 454.550 2.154 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@@H]1CCN(CC)C1)[C@H]1CCS(=O)(=O)C1 1507639104 JLRXEVOEODNERH-RTWAWAEBSA-N 471.627 2.134 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1CC[C@@H](C(F)F)N1CCOCC1 1507668163 VPBXCHMLUAZJHD-FQEVSTJZSA-N 495.534 2.413 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCN1CCOCC1 1507710646 JAVFTNUGXAHACX-NRFANRHFSA-N 490.649 2.201 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2Cc2ccc(OC)c(OC)c2OC)CC1 1507731486 JTYCAHJTEPBGSO-HXUWFJFHSA-N 455.559 2.349 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H](Cc2ccccc2)OC)CC1 1507733049 NMMPRPKJNWGEMS-VABKMULXSA-N 453.587 2.015 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2OCCC2(C)C)CC1 1507737101 YCKVKWPGYLLNLN-CPJSRVTESA-N 473.618 2.100 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2CC2(O)CCN(C(C)C)CC2)CC1 1507740555 VCJIFEJTHQNDOB-UHFFFAOYSA-N 470.662 2.212 30 10 JEEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cc(Cl)ccn1 1507775535 OXBMCWUIGNTTSL-NSHDSACASA-N 463.789 2.482 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1507783415 CPMYZZUWZHFKLK-TUAOUCFPSA-N 473.315 2.245 30 10 JEEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2ccc(F)cc2F)C1 1507837203 KIPWCIXQBZQXPZ-KXBFYZLASA-N 485.557 2.337 30 10 JEEE C=C(C)COCCn1c(CC(C)C)nnc1N1C[C@@H]2[C@H](C1)[C@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1507845259 CJXUMIZYBLLNTQ-GUDVDZBRSA-N 497.662 2.196 30 10 JEEE C=C(Cl)Cn1c(N2CCC(N(C)S(=O)(=O)CC)CC2)nnc1[C@]1(OC(C)C)CCOC1 1507875818 YKSMIKPELIYSNW-FQEVSTJZSA-N 476.043 2.322 30 10 JEEE C=C(Cl)Cn1c(N2CCC(N(C)S(=O)(=O)CC)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1507875819 YKSMIKPELIYSNW-HXUWFJFHSA-N 476.043 2.322 30 10 JEEE C=CC1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1507897863 RXBRSSNQVUEGHI-LNVKXUELSA-N 496.593 2.277 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1507915327 BLURKWQRYOXECQ-MSOLQXFVSA-N 489.646 2.180 30 10 JEEE C=CCCOCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(C(=O)NCC)CC1 1507964410 DVRYYXAGVAGKJW-HXUWFJFHSA-N 456.547 2.235 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)N2CCCC2)n1CCN1CCN(C(C)=O)CC1 1508003284 XDKBRAVKABCYTC-UHFFFAOYSA-N 483.592 2.010 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCc1cnn(C)n1 1508007320 ABWXLDZHMOBXBK-INIZCTEOSA-N 461.617 2.196 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1508093291 HRVRYEURMWMWRK-UUOWRZLLSA-N 455.559 2.106 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCc2c(ccnc2N(C)C)C1 1508134799 WGJFWRVRGYHMRB-UHFFFAOYSA-N 456.572 2.471 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC[C@@H](CNC(C)=O)C1 1508144291 PELLQABWWMAXGC-IBGZPJMESA-N 484.626 2.304 30 10 JEEE CC(C)(C)C(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1508461385 IDQILEHIGZFSAB-IBGZPJMESA-N 493.612 2.386 30 10 JEEE CC[C@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@H](C)CN1CCN(CC)CC1 1513024188 DYOXHKGQOFZLKI-FSSWDIPSSA-N 494.692 2.442 30 10 JEEE CNC(=O)C(C)(C)Cn1c(Cc2cccnc2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1517437875 CXXUVVWIYREFPA-UHFFFAOYSA-N 476.560 2.373 30 10 JEEE C=CCN1CC[C@H](N(C)C(=O)c2csc(S(=O)(=O)N3CCc4ccccc4C3)c2)C1=O 1519602369 CBSPEGSNFGSTGL-IBGZPJMESA-N 459.593 2.354 30 10 JEEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 1521712051 FFHFYSDGGCUQSL-SFHVURJKSA-N 450.524 2.487 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cscc2C)c1 1539038236 MWPRCSCDHQXIEO-INIZCTEOSA-N 486.623 2.363 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cscc2C)c1 1539038241 MWPRCSCDHQXIEO-MRXNPFEDSA-N 486.623 2.363 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CCCC(C)C)[C@H]1CCS(=O)(=O)C1 1539207053 YYQROJCSPNTHKB-UGKGYDQZSA-N 452.621 2.382 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1Cc1ncccc1N(C)C)[C@H]1CCS(=O)(=O)C1 1539229880 JFMNJMYBPZDRGM-FQEVSTJZSA-N 494.621 2.302 30 10 JEEE C#CCN(CC#C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@]1(O)CCS(=O)(=O)C1 1539238900 DTOQEGROPARJNT-FDDCHVKYSA-N 491.013 2.311 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC1(O)CCS(=O)(=O)CC1 1539295469 AZTKWHLPOAJINT-GOSISDBHSA-N 491.013 2.474 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@](C)(O)c2ccccc2)CC1 1539468606 GDATYTRXYIBLMT-SVBPBHIXSA-N 495.624 2.192 30 10 JEEE C=C(Br)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1539588504 YWKWVTODQXMGDS-KRWDZBQOSA-N 484.358 2.492 30 10 JEEE C=C(C)Cn1c(N2C[C@@H]3[C@@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]3C2)nnc1C(C)(C)C 1539733654 JBBMWYLDBZQPGI-PMPSAXMXSA-N 453.609 2.278 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CCC(CC(=O)NC)CC1 1540867120 LEUZUIQALFOSRW-UHFFFAOYSA-N 475.391 2.362 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)CCC2CCCC2)CC1 1540870250 IHVLWSTZUYEGOH-HXUWFJFHSA-N 458.607 2.441 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCc2cc(OC)c(OC)c(OC)c2CC1 1540870378 LWQLTEQRPJWAPG-IBGZPJMESA-N 485.585 2.453 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCN(c3cccs3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1540908400 GHSYHTVOYUAYJL-JOCHJYFZSA-N 495.671 2.308 30 10 JEEE CC(=O)NCC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)C(C)(C)C)CC1 1541064063 FFDGLTXFUXPVFG-UHFFFAOYSA-N 451.575 2.332 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCO[C@H]1C(C)(C)C 1541115946 HJKGWTSROZIYBA-YDZRNGNQSA-N 482.651 2.048 30 10 JEEE C[C@@H]1CCCCN1C[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCNS(C)(=O)=O)C1 1544008341 CBXDEVWYKQTHBE-CTNGQTDRSA-N 485.658 2.457 30 10 JEEE CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(CCOC)CCC2)CC1 1547764099 AJLSELNPUQKQMW-UHFFFAOYSA-N 465.602 2.282 30 10 JEEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccsc2)C1 1547785532 BSJLKHGWZCECRM-LJQANCHMSA-N 472.596 2.357 30 10 JEEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(Cn2cccn2)CC1 1548314648 GAQHMALFBLGGKO-UHFFFAOYSA-N 453.572 2.365 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2[C@@H]2C[C@H]2C(C)C)c1 1587692235 ANOAVAVVKCPGKJ-YZGWKJHDSA-N 455.584 2.453 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1Cc1nccn1C(F)F)[C@H]1CCS(=O)(=O)C1 1588044716 BGVSNFCNQKZRRS-HNNXBMFYSA-N 476.509 2.220 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1C[C@](C)(O)[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1588045218 HIWZLZKDAARVIL-XAEMIUIASA-N 474.583 2.098 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@@](C)(O)c1cccs1)[C@H]1CCS(=O)(=O)C1 1588060118 ZYFJDMIBVVYOBQ-HRAATJIYSA-N 450.630 2.463 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CCN(CC)C1)[C@H]1CCS(=O)(=O)C1 1588074530 NXRQLXFBGIHLOZ-PLACYPQZSA-N 477.675 2.165 30 10 JEEE C#CCN(c1nnc(CSc2ccccc2OC)n1C[C@](C)(O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1588074966 UXYIBBSIZKLKFS-JPYJTQIMSA-N 490.651 2.367 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC1([S@](C)=O)CC1 1588128575 PBFVCAQLVAAHDE-XIFFEERXSA-N 462.579 2.049 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1588612931 MYKQHDUEAJLWFN-NRFANRHFSA-N 471.569 2.403 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(CN2CCCCC2)cc1 1588637999 MBZDSIUXBPXNEH-QFIPXVFZSA-N 450.587 2.349 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCS(=O)(=O)C(C)(C)C)CC1 1588908656 UIMYOUPIJHBPBF-UHFFFAOYSA-N 493.033 2.173 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2Cc2cccc(CN(C)C)c2)CC1 1588913324 HFZQNXREFPTYGC-UHFFFAOYSA-N 457.582 2.416 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCC(=O)Nc2ccccc2)CC1 1588914190 ZUBWQXNYNMTQFS-UHFFFAOYSA-N 459.554 2.278 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCOC2)CC1 1588962211 XWMQYSRAKDDRBU-HXUWFJFHSA-N 462.554 2.121 30 10 JEEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1589088565 AGXJOEUIMORSSX-IBGZPJMESA-N 472.615 2.360 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ncc(CC)s2)CC1 1594241551 UMCJDNPJRUVYHR-GOSISDBHSA-N 480.660 2.275 30 10 JEEE C=CC[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NS(C)(=O)=O)CC1)c1ccccc1 1594544864 NOBGJLAEYQXTJV-UYAOXDASSA-N 472.615 2.107 30 10 JEEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1595434801 SWKAREZPWUHZQU-OALUTQOASA-N 485.658 2.082 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCc3oncc3C2)cc1 1595608650 VWPDETPODKQTRK-OAHLLOKOSA-N 458.544 2.052 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H]2CCS(=O)(=O)C2)C1 1595701200 XVEGPQAREDMITP-AEFFLSMTSA-N 462.572 2.178 30 10 JEEE CCNC(=O)C(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1615908719 HTZUSLQRNHOLAR-SFHVURJKSA-N 499.019 2.243 30 10 JEEE C=C(C)C[C@@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)OCC1c2ccccc2-c2ccccc21 1650974813 QLRHXGFFXNRPAO-AOMKIAJQSA-N 451.523 2.212 30 10 JEEE C#CCOc1ccc(NC(=O)NCC[C@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)cc1 1668520190 UCSWMWNEKCYFNV-SFHVURJKSA-N 451.545 2.244 30 10 JEEE C#CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(CCOCC)CC1 1689926074 HWKSKNAXUGLTKT-UHFFFAOYSA-N 463.586 2.247 30 10 JEEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1689943638 YBDIYBDDOPXORW-RTBURBONSA-N 451.637 2.470 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCOc1c(C)cccc1C)[C@H]1CCS(=O)(=O)C1 1689989611 HGTBVJVIBBDFKO-RTWAWAEBSA-N 472.611 2.495 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1CCNC(=O)c1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 1689990740 RDJKEYFKPQKKQO-HXUWFJFHSA-N 471.627 2.232 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1Cc1ccc(CN2CCC(O)CC2)cc1 1690102667 RTNQJKICUYDSCM-QHCPKHFHSA-N 467.614 2.263 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2CCCCN2CCN(CC)CC2)CC1 1690128549 FUMMSAJINADXLQ-UHFFFAOYSA-N 463.674 2.350 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(OC)c(OCC)c2)CC1 1690142912 XZCSUDXLLCYXER-UHFFFAOYSA-N 477.569 2.100 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(OC)cc3)n2CC[C@H]2CCOC2)CC1 1690152622 RSHKGYKQZDQQJQ-IBGZPJMESA-N 467.570 2.258 30 10 JEEE C#CCSCCn1c(N2C[C@@H]3CCC(=O)N[C@@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1690185872 IDHHBFWKLYGRNF-WNRNVDISSA-N 474.631 2.130 30 10 JEEE C=C(Br)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCCN(S(C)(=O)=O)CC1 1690228795 GDYYGVUUXPJKOW-QGZVFWFLSA-N 498.403 2.171 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1690247411 AKKKTLHFJFXRCK-LRXVAGHRSA-N 477.606 2.459 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCC(NS(C)(=O)=O)CC1 1690250754 KWFBVYPCLJYVIR-UZLBHIALSA-N 480.660 2.133 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2cccc(C)c2)nnc1N1CCN(C(=O)COC)CC1 1690252398 DBKQNVQOGXYMRB-HYBUGGRVSA-N 469.586 2.442 30 10 JEEE C=CCC(C)(C)Cn1c(N2CCN(C(=O)[C@@H]3CCCO3)CC2)nnc1[C@]1(OCC)CCOC1 1690439763 OQCOUCQVCXWXHM-CYFREDJKSA-N 461.607 2.360 30 10 JEEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1690674892 JGMSSEHWENVTAC-OKILXGFUSA-N 452.531 2.299 30 10 JEEE C#CCN(c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC(=O)NCC1CC1)[C@@H]1CCS(=O)(=O)C1 1705562444 CGGHHJXKLLHFGT-OAQYLSRUSA-N 483.638 2.396 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](C)c2cccc(C)c2)CC1 1705643367 CWYMPQFYFNFDDR-IBGZPJMESA-N 450.587 2.494 30 10 JEEE C#CCSCCn1c(Cc2ccsc2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1705663355 DVKSKHFXDJHSKN-UHFFFAOYSA-N 467.624 2.117 30 10 JEEE C=C(Cl)Cn1c(N2CCC(C(=O)NCCOC)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1705760150 BINOCKSWYGEGCQ-OAQYLSRUSA-N 455.987 2.050 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@H]1c1ccco1 1705896439 MVXCZOLGRPCOBL-LJQANCHMSA-N 484.582 2.432 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1705917165 QYLLWVYFBJOKTO-HOCLYGCPSA-N 499.435 2.099 30 10 JEEE C=CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1705945255 GJTTWGKSPYSKOU-ZWKOTPCHSA-N 454.604 2.468 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1C[C@@]1(O)CCC[C@H]1C 1706859478 APXXKGRQNWSXJT-DGGJZMOXSA-N 472.615 2.480 30 10 JEEE C#CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1722330133 OZSWHOHYTAFSGE-LJQANCHMSA-N 461.570 2.393 30 10 JEEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 1722332387 KBBPTDJMWSHNCP-ROUUACIJSA-N 483.635 2.259 30 10 JEEE C#CCCCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1722336420 KSVNGABACRNLNR-NRFANRHFSA-N 475.590 2.052 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1Cc1cc(C)nn1C)[C@@H]1CCS(=O)(=O)C1 1722359349 LQHPXPPPKAKLOH-QGZVFWFLSA-N 490.536 2.263 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1ccc(OC)c(OCC)c1)[C@H]1CCS(=O)(=O)C1 1722360113 DAJZXCFVMYGSDT-IBGZPJMESA-N 481.578 2.422 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CCOc1ccc(Cl)cn1)[C@H]1CCS(=O)(=O)C1 1722367784 XTINMTIDIJFBBR-IBGZPJMESA-N 486.985 2.018 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1ccc(OCCOC)cc1)[C@H]1CCS(=O)(=O)C1 1722368059 PAYBADHTNBORSU-UNMCSNQZSA-N 488.610 2.220 30 10 JEEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@@H](CC=C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1722371771 LKTPYNBTEBFQPO-FGZHOGPDSA-N 481.622 2.387 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1Cc1cnn(C)c1C 1722380194 HWSBKDVULGITJQ-UHFFFAOYSA-N 454.538 2.228 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCCOC(C)C)CC1 1722445963 HBASMPVSNGVSGP-UHFFFAOYSA-N 477.569 2.375 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(=O)OC)CC1 1722495032 PINMKPZZLIFFGZ-UYAOXDASSA-N 489.598 2.218 30 10 JEEE C=CCN(c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCS(=O)(=O)NC(C)C)C1CC1 1722650769 KRHYYOOYPOENBG-GOSISDBHSA-N 498.650 2.069 30 10 JEEE C=CCN(CCc1ccco1)c1nnc(Cc2ccccc2F)n1C[C@]1(O)CCS(=O)(=O)C1 1722673830 FUJUBLFFIOIWDS-HSZRJFAPSA-N 474.558 2.386 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N1CCc2ccccc21 1722682228 YKSXIAFITSYNGS-UYAOXDASSA-N 459.616 2.270 30 10 JEEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1722703330 YYXBXVXCQGEBDO-FQEVSTJZSA-N 468.602 2.157 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2C[C@@](C)(O)CCOC)C1 1722713917 KBBRRDYNEUPACJ-HJPURHCSSA-N 454.531 2.163 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1722723954 JPXVMTQHXGQXGE-WBAXXEDZSA-N 480.518 2.272 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CCC(C(=O)OC)CC1 1722730028 GCWKBPXIOUQFJK-UHFFFAOYSA-N 462.572 2.156 30 10 JEEE C=CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1722734722 IUERASWIYNNINA-RXVVDRJESA-N 491.683 2.425 30 10 JEEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1Cc1ccnc(-n2cccn2)c1 1729623268 CBTSUZCDCKYFEX-KRWDZBQOSA-N 455.526 2.264 30 10 JEEE N#Cc1ccc(-c2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2C[C@@H]2CCCS(=O)(=O)C2)cc1 1731184100 AHYTZQIYJGCNKF-DOTOQJQBSA-N 469.489 2.409 30 10 JEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cc(F)c(F)c(F)c1 1740575852 WILPCHPOJLVXTK-SFHVURJKSA-N 485.532 2.468 30 10 JEEE C#CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C2CC2)C(=O)C1 1740576289 ZZBCYKRDZUKBGB-IBGZPJMESA-N 472.590 2.201 30 10 JEEE C#CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1C[C@@H](COC)O[C@H](C)C1 1740716024 IXZPRUYQRDRZEK-MSOLQXFVSA-N 482.610 2.281 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccnc(OCC(F)(F)F)c1 1740725608 SIHIRVRPFRMUPZ-AUUYWEPGSA-N 486.520 2.265 30 10 JEEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1 1740779166 RPFUUUIYGXHXPW-HNNXBMFYSA-N 466.995 2.080 30 10 JEEE C=CCCCn1c(N2CCC(N(C)S(C)(=O)=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1740881847 RUPGJWFPUSETMS-OAQYLSRUSA-N 455.625 2.145 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2ccccc2F)C[C@H]1C 1740951202 TUMDWKHZNSEINZ-QGZVFWFLSA-N 471.581 2.353 30 10 JEEE CCN(c1nnc(COc2ccc(C#N)cc2)n1Cc1cc(C)on1)[C@@H]1CCS(=O)(=O)C1 1745996411 ABIGBANXEVAAQY-GOSISDBHSA-N 456.528 2.087 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC(=O)NCCC)[C@H]1CCS(=O)(=O)C1 1748805355 QLJWZNJNGJJOBO-AEFFLSMTSA-N 494.017 2.224 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCN1CCCCCC1)[C@@H]1CCS(=O)(=O)C1 1748809471 UDKHBALTVBNTSK-JOCHJYFZSA-N 466.611 2.319 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCCN(C)CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1748810397 VOLSVBNKWQTANN-GOSISDBHSA-N 499.559 2.465 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCCCNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1748814590 GXGMDNUYAJFRBX-RTBURBONSA-N 495.646 2.451 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCN1CCCC(C)(C)C1)[C@@H]1CCS(=O)(=O)C1 1748815139 NRLQZYKSWZQVFM-UXHICEINSA-N 463.648 2.268 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCO[C@@H]1CCCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1748817411 KJTMIPXPNSFUHE-JSXRDJHFSA-N 464.632 2.394 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ccnc(SC)c1 1748831327 LAQPHUQIYTUSJR-UHFFFAOYSA-N 480.619 2.433 30 10 JEEE C#CCN(CC#C)c1nnc(CSc2ccc(Cl)cc2)n1CCS(=O)(=O)N(C)C 1748859199 SQFPGIGRQZHMEK-UHFFFAOYSA-N 452.005 2.188 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H](c2ccco2)N(C)C)CC1 1749010766 XBQDDWAXZSYDGP-CTNGQTDRSA-N 454.575 2.381 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CCS(=O)(=O)C1 1749600953 SYZHMUNQZYGYRX-OKZBNKHCSA-N 483.635 2.122 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1749666640 OUOJKCIUPBNFFG-RTBURBONSA-N 492.628 2.457 30 10 JEEE Cc1nn(C)c(N2CCN(c3nnc(C(=O)NC(C)C)n3CC(F)(F)c3ccccc3)CC2)c1C#N 1751827188 CZKVMUTYAHSROL-UHFFFAOYSA-N 497.554 2.449 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCCO3)n2Cc2cnn(CCOC)c2)c1 1760128668 OZKGPJIQJQBDLE-JOCHJYFZSA-N 477.569 2.467 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C(CC)CC)no1 1760234348 VSZHZMIWHCZZOP-IBGZPJMESA-N 464.592 2.010 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CCc2ccc(S(C)(=O)=O)cc2)CC1 1760266582 DZYAWTNNWXFNHT-UHFFFAOYSA-N 495.605 2.459 30 10 JEEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1760280436 KJOGGIDEMODBEJ-FQEVSTJZSA-N 460.648 2.021 30 10 JEEE C=C(C)COCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN2C(=O)NC[C@H]2C1 1760357539 KTKOQHRDPOVMME-IBGZPJMESA-N 489.621 2.199 30 10 JEEE C=CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CCn1cc(Br)cn1 1760503189 BZZHTXPCBZOQQI-UHFFFAOYSA-N 478.351 2.304 30 10 JEEE CC(=O)N1CCC(Cn2c(C(=O)NC(C)C)nnc2N2CCCN(c3ccccc3C#N)CC2)CC1 1760585916 GKPALXYDVJVQDV-UHFFFAOYSA-N 492.628 2.263 30 10 JEEE C[C@@]1(C#N)CCCN(c2nnc(CN3CCCC3=O)n2CCc2ccc(S(C)(=O)=O)cc2)C1 1761545279 ABPMJXQFACPVIC-QHCPKHFHSA-N 470.599 2.177 30 10 JEEE CCc1nnc(N2CCCN(c3ccccc3C#N)CC2)n1C[C@H](C)N1CCN(CC)CC1 1763070112 BGTGGQRYJGFPJE-NRFANRHFSA-N 450.635 2.455 30 10 JEEE CN(Cc1ccc(C#N)cc1)c1nnc(CN2CCCC2=O)n1C[C@@]1(N(C)C)CCSC1 1767063365 CIJKHTCVWNAMFI-QHCPKHFHSA-N 453.616 2.346 30 10 JEEE COc1ccccc1OCc1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccc(C)n(C)c1=O 1770504200 ABBITHZUIWZORE-HSZRJFAPSA-N 452.490 2.363 30 10 JEEE CN1CCN(CC#CCOC2CCN(C(=O)c3cc(-c4ccccc4F)nn3C)CC2)CC1 1889525291 NEENAVGMZGWOCL-UHFFFAOYSA-N 453.562 2.098 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CCN(S(=O)(=O)CC2(C#N)CC2)CC1 1965812695 VXPGDPSMWFNVTM-UHFFFAOYSA-N 472.608 2.410 30 10 JEEE CC1(C)OB([C@@H]2[C@@H]3CN(S(=O)(=O)CCCCN4C(=O)c5ccccc5C4=O)C[C@@H]32)OC1(C)C 1999985593 KVTCSNJWDKEGGI-REPLKXPHSA-N 474.388 2.417 30 10 JEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@]1(C(=O)O)CCCN(C(=O)OC(C)(C)C)C1 2059802189 WQDPKNPIBRVIIP-NYHFZMIOSA-N 453.536 2.264 30 10 JEEE C=C(Br)CS(=O)(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1C(=O)OCC 2174717212 WGVUAKOMJKQAMB-ZIAGYGMSSA-N 469.398 2.393 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@H](NC(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2255536024 CFMCQKWAOJUQGS-CQSZACIVSA-N 452.382 2.413 30 10 JEEE CC1(C)OB(c2c[nH]nc2C(=O)N[C@H](CNC(=O)OCc2ccccc2)C(F)(F)F)OC1(C)C 2255628056 CDYHFUUKTTWLTA-OAHLLOKOSA-N 482.268 2.296 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)[C@H](O)C1 2255704899 NSMWTLNDANJWJT-LSDHHAIUSA-N 452.382 2.147 30 10 JEEE CCON(C(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1)C1CN(C(=O)OC(C)(C)C)C1 2255807556 WCCGMEBVGUEBAA-UHFFFAOYSA-N 453.370 2.455 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CC[C@H]2NC(=O)OCc2ccccc2)n1 2255830163 AZSKKSFQJZTOGI-RBUKOAKNSA-N 468.363 2.389 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H]1CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2255947922 GGRBZPVPVPXYEV-INIZCTEOSA-N 452.382 2.274 30 10 JEEE CC1(C)OB(c2csnc2C(=O)NC2(CN)CCN(Cc3ccccc3)CC2)OC1(C)C 2267484793 CRKLTAFJIJUOJT-UHFFFAOYSA-N 456.421 2.166 30 10 JEEE COc1cc(CNC(=O)CCONC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2273865169 RKCHXJBHASGJGY-UHFFFAOYSA-N 450.341 2.457 30 10 JEEE CC(C)[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2281825558 UMUSAANNFYPYDN-QGZVFWFLSA-N 462.400 2.437 30 10 JEEE CC(C)(C)OC(=O)NC[C@@]12CCC[C@H]1CN(C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C2 2281930661 OBUWCRVKHCLHJK-NPMXOYFQSA-N 460.384 2.476 30 10 JEEE Cc1c(C(=O)N2C[C@H]3CC[C@]3(NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281979477 NTBLBMKWSFOXRD-CMJOXMDJSA-N 460.384 2.157 30 10 JEEE CCc1nn(C)c(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)c1B1OC(C)(C)C(C)(C)O1 2281990720 QNAPAUZUVPVHHC-HNNXBMFYSA-N 462.400 2.363 30 10 JEEE Cn1cc(C(=O)NC[C@@]2(F)CCCN(C(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2282040160 FTUAZDPNBRTWEC-QFIPXVFZSA-N 466.363 2.188 30 10 JEEE Cc1ccc(C(=O)N2C[C@@H](O)C[C@H](NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2282127835 CNMIYIQSLHKNNM-IRXDYDNUSA-N 460.380 2.394 30 10 JEEE COC1(CCNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cn2C)CN(C(=O)OC(C)(C)C)C1 2282176887 CHDOEJCPCXLKOT-UHFFFAOYSA-N 463.384 2.080 30 10 JEEE C[C@H]1CN(S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)[C@H](C)CN1Cc1ccccc1 2282351184 XNPLIILJTICXKY-ZWKOTPCHSA-N 474.436 2.003 30 10 JEEE C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)CN1S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282355064 YFCMGIQKEJZKQQ-DOTOQJQBSA-N 481.424 2.447 30 10 JEEE C[C@H]1CC[C@@H](NC(=O)C(F)(F)F)CN1S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282494694 BCAYFBRCGUNZNG-GXTWGEPZSA-N 496.382 2.409 30 10 JEEE Cn1cc(C(=O)N2C[C@H]3C[C@@H](C2)[C@H](NC(=O)OC(C)(C)C)C3)nc1B1OC(C)(C)C(C)(C)O1 2282548695 ZFWBUWLDJZHTDQ-HRCADAONSA-N 460.384 2.095 30 10 JEEE Cc1c(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C23CC3)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282554913 LDAUEZHZYXGAMV-OAHLLOKOSA-N 460.384 2.300 30 10 JEEE CN(C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCC[C@H]1CNC(=O)OC(C)(C)C 2282557536 WLKBVQHJRITQLR-DOTOQJQBSA-N 462.400 2.485 30 10 JEEE CO[C@H]1CN(C(=O)c2nccc(C)c2B2OC(C)(C)C(C)(C)O2)C[C@H]1NC(=O)OC(C)(C)C 2282559599 QFNIZRSKGWMFMV-CVEARBPZSA-N 461.368 2.053 30 10 JEEE CC[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2282574450 OZYNOTKAKROSQW-RDJZCZTQSA-N 462.400 2.485 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C12CC2 2282588003 CKDBHRUEWJRZKI-OAHLLOKOSA-N 460.384 2.300 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H](F)C[C@@H]1CNC(=O)OC(C)(C)C 2282589500 OOMXWVLNZNFHHS-LSDHHAIUSA-N 466.363 2.105 30 10 JEEE Cn1nc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CCC2(C)C)cc1B1OC(C)(C)C(C)(C)O1 2282612540 UOTKNVNYCOFLNL-MRXNPFEDSA-N 462.400 2.485 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@H]1CN(Cc2ccccc2)CCO1 2282664361 BQWKEJVBPUWFNC-NRFANRHFSA-N 453.392 2.438 30 10 JEEE COCC1(NC(=O)OC(C)(C)C)CC(NC(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282666438 XAWFJCBUYKUWMQ-UHFFFAOYSA-N 461.368 2.183 30 10 JEEE C=C(CS(=O)(=O)NC[C@]1(O)C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2282866848 PTWPLLSGHQZRMX-FAQVEIGNSA-N 486.440 2.386 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1CC[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(O)cc1O 2282989207 ZXDNVTOXIVYUTQ-CJNGLKHVSA-N 462.352 2.430 30 10 JEEE Cn1cc(C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)nc1CNC(=O)OC(C)(C)C 2283983156 GSLBJTQHQIISER-UHFFFAOYSA-N 477.396 2.131 30 10 JEEE CN(Cc1ccccc1B1OC(C)(C)C(C)(C)O1)C(=O)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 2284047101 GJIROIRAFOAZHC-XMMPIXPASA-N 460.380 2.316 30 10 JEEE CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)c1occc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2289798299 MEADTXZRJMXDGN-HNNXBMFYSA-N 466.340 2.457 30 10 JEEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@@]1(C(=O)N=c3nc(B4OC(C)(C)C(C)(C)O4)[nH]s3)C[C@H]21 2359389981 LFQQKJNUXRLGRR-JFWVXPNWSA-N 476.408 2.376 30 10 JEEE CC(C)(C)OC(=O)N1CC(OCCNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2O)C1 2362201104 FSDKCKLCLBPUAL-UHFFFAOYSA-N 462.352 2.057 30 10 JEEE CC(C)(C)OC(=O)N1CC2(CC[C@H](NC(=O)c3nscc3B3OC(C)(C)C(C)(C)O3)CO2)C1 2362300632 YOCGZZPGWSGKFS-AWEZNQCLSA-N 479.408 2.341 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2CN(Cc3ccccc3)C[C@@]2(C)C1 2362344911 YBMYDDLHGBHUPC-CLOONOSVSA-N 450.392 2.313 30 10 JEEE CC(C)(C)OC(=O)N1[C@H]2COC[C@H]1CC(C(=O)O)(N1CCN(Cc3ccccc3)[C@H](C#N)C1)C2 2373508774 SNFYHXMJHSRJAB-NJDAHSKKSA-N 470.570 2.318 30 10 JEEE COc1ccc(NC(=O)CSc2nnc(N/N=C/c3ccc(N(C)C)cc3)n2N)cc1OC 20527628 CGOSXBUJLBKUPC-FSJBWODESA-N 470.559 2.252 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](CNc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 204868529 PDZAAQJBAOGCEV-IRXDYDNUSA-N 489.426 2.340 30 10 JEEE COc1cc(C=NNS(=O)(=O)c2ccccc2)cc(Br)c1OCC(=O)N(C)C 254404953 FGBABUOZMOPOBN-UHFFFAOYSA-N 470.345 2.237 30 10 JEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CSC[C@H]3C(=O)Nc3ccccc3)CC2)cc1 608957935 YITZRPREEKLIAE-NRFANRHFSA-N 484.603 2.499 30 10 JEEE C=CCCOCCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1 1267335714 GETVSOIWDCDTIC-UHFFFAOYSA-N 451.589 2.020 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CC1(O)CCS(=O)(=O)CC1 1286282207 LZNLTPMVTPCVOT-KRWDZBQOSA-N 476.599 2.139 30 10 JEEE C#CCCCCn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 1286321794 BENMGHNUFNXLRL-BDTNDASRSA-N 456.635 2.402 30 10 JEEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N(C)C[C@@H](c1cccs1)N1CCOCC1 1286335870 MYCCRLYZDTUAAC-IBGZPJMESA-N 456.616 2.499 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCOc1ccccc1Cl 1286350200 XCROPZVIEQHYQD-LJQANCHMSA-N 482.006 2.193 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H]1CCCO[C@@H]1C(C)C)[C@@H]1CCS(=O)(=O)C1 1286387360 QDWZUMDBHHBLOA-PWRODBHTSA-N 457.600 2.418 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCCCN1CC)[C@@H]1CCS(=O)(=O)C1 1286389117 FWHHTLNCOFQJFX-VQTJNVASSA-N 456.616 2.150 30 10 JEEE C#CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC[S@](=O)C(C)(C)C 1286459450 LVLSWGQRIPWLAA-XIFFEERXSA-N 494.687 2.180 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1ccn(C)n1 1286464640 CVIPGCDBVZHHAB-GOSISDBHSA-N 457.579 2.260 30 10 JEEE C#CCN1CCN(c2nnc(CC3CCCC3)n2C[C@H](N2CCOCC2)C(F)(F)F)CC1 1286483415 KCXFHNJZODTVGI-IBGZPJMESA-N 454.541 2.029 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H](C)CN2CCOCC2)CC1 1286484354 MMKQDWGDKZIFAU-FQEVSTJZSA-N 473.021 2.234 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Cl)n2C[C@H]2CC(=O)N(CCOC)C2)CC1 1286489110 GBRGOYIFQXMCBS-SFHVURJKSA-N 499.015 2.059 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2Cc2cnnn2C)CC1 1286491813 CGOZJAYXMIQYCG-UHFFFAOYSA-N 490.612 2.297 30 10 JEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](CN2CCCC[C@H]2C)C1 1286495571 AAEMBISWPUQRQK-HSALFYBXSA-N 482.720 2.346 30 10 JEEE C=C(C)Cn1c([C@H](C)OCCOC)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1286585779 PQXRGVWYEIDTNW-NJYVYQBISA-N 462.639 2.205 30 10 JEEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1286791426 ZEZOFBASBGZFLL-UHFFFAOYSA-N 477.569 2.061 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2c(C)nn(C)c2C)C1 1286813664 ZJEQLSHSOUVKOM-KRWDZBQOSA-N 455.588 2.450 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC(c2ncc(C)s2)CC1 1286818604 KQZPAYVLBZVLSX-UHFFFAOYSA-N 461.617 2.428 30 10 JEEE C=CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1286834777 MCHMMBYFFWYVOM-JKSUJKDBSA-N 460.629 2.246 30 10 JEEE CC(=O)N1CCN(CCn2c(COc3ccccc3F)nnc2N2CCC(CC#N)CC2)CC1 1286889181 FQBWQFVSLIKOBJ-UHFFFAOYSA-N 469.565 2.290 30 10 JEEE C#CCN(c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCOCC(F)F)[C@@H]1CCS(=O)(=O)C1 1300482228 DRLGEQJLXODFJL-QGZVFWFLSA-N 490.536 2.244 30 10 JEEE C#CCN(c1nnc([C@H]2COc3ccccc3O2)n1CCSCC=C)[C@H]1CCS(=O)(=O)C1 1300495405 HBRFTNVFZYDYEX-FXAWDEMLSA-N 474.608 2.337 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2Cl)n1CCS(=O)(=O)N(C)C 1300654611 AWWUKPSWRLNPII-UHFFFAOYSA-N 460.387 2.229 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2cccc(C(F)(F)F)n2)CC1 1300686303 ZYTZVFHNYSPOKX-NRFANRHFSA-N 464.492 2.148 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CC2(COC)CCCCC2)CC1 1300719949 XEPZWXGLVLXUIO-UHFFFAOYSA-N 453.591 2.241 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CCCCn2ccnc2C)CC1 1300725930 GSSIBRIJUIFXET-UHFFFAOYSA-N 460.586 2.215 30 10 JEEE C#CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(CC(=O)NC)CC1 1300760754 GOBPBGRFYUDQEP-UHFFFAOYSA-N 482.658 2.171 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCCN(C(=O)C2CC2)CC1 1300870531 UBTUSEZOIIWFPV-GIVPXCGWSA-N 461.607 2.432 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCC(N2CCNC2=O)CC1 1300874695 NJSXIGUQSTYRFT-XLIONFOSSA-N 473.622 2.172 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1300876876 VDNWOSNCSOKRSL-FHWLQOOXSA-N 492.621 2.127 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1301576613 FZTRLJZLGDGPET-AWEZNQCLSA-N 493.438 2.476 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Br)nnc1N1CCn2nc(C)nc2C1 1301578273 VEVQBLIENYTCAJ-UHFFFAOYSA-N 492.403 2.229 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCN(C(=O)OC(C)(C)C)C1CC1 1303847361 DLSDMIGXHLBEIF-AOMKIAJQSA-N 495.650 2.418 30 10 JEEE CO[C@@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1315155733 IFBDGACJRKOXBY-INIZCTEOSA-N 461.526 2.393 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H](C(C)C)N1CCOCC1 1358889941 JIWOQMDJYYPWET-IRLDBZIGSA-N 466.634 2.267 30 10 JEEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCS(=O)(=O)C(C)(C)C 1358941328 FSDBBCUQSFYFPH-UHFFFAOYSA-N 450.561 2.254 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCc1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1358959069 AZTGBLSMTPYGEW-HXUWFJFHSA-N 464.551 2.291 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1359047009 NNYVQQPSDAAWNV-OAQYLSRUSA-N 454.619 2.235 30 10 JEEE C=C(Br)Cn1c(C2CC2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1359082219 CGIXUNIAKIUWFZ-GOSISDBHSA-N 453.429 2.295 30 10 JEEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(=O)CCc2ccccc2)CC1 1359117046 AKILGXCZJBBWRE-IBGZPJMESA-N 474.631 2.136 30 10 JEEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H](C)CS(C)(=O)=O 1359122014 SOFHGTPJLWAVSV-CVEARBPZSA-N 457.597 2.032 30 10 JEEE C=CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1359206108 URCWUKIBQQTOAD-UHFFFAOYSA-N 454.579 2.190 30 10 JEEE C=CCCCn1c(N2CCO[C@H](CNC(C)=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1359220695 GMLAPHPHNSXPCA-CEXWTWQISA-N 462.595 2.356 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCC[C@@H](CC(N)=O)C1 1359295763 NALSWMBISUQSBT-AWEZNQCLSA-N 491.390 2.110 30 10 JEEE C=CCNC(=O)Cn1c(Nc2cnn([C@H]3CC3(F)F)c2)nnc1[C@@]1(OC(C)C)CCOC1 1359305818 NSIARRIYIFNSEX-HNAYVOBHSA-N 451.478 2.141 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(COCC(F)(F)F)cc1 1360247677 DYVBFIPNRGJLJG-QGZVFWFLSA-N 466.464 2.272 30 10 JEEE C#CCN(C(=O)c1cn(Cc2noc(C)n2)nn1)[C@@H]1CCOc2ccc(Br)cc21 1435174076 DAZWOGLIHMBUFO-MRXNPFEDSA-N 457.288 2.380 30 10 JEEE COc1ccc([C@@H]2[C@H](C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CCC(=O)N2C)cc1 1447480872 GZBLIQXRUGCHKN-HKJQZYRSSA-N 456.543 2.480 30 10 JEEE CC(C)(C)OC(=O)N1CCCO[C@H](CNC(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C1 1470144607 AMRGTOLXPSPEJB-LEWJYISDSA-N 457.575 2.432 30 10 JEEE CC[C@@H](C)N(C)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C#N)C1 1496114333 AWEDAKZAKQLZEP-APWZRJJASA-N 459.982 2.321 30 10 JEEE CNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C(C)C)N2CCOCC2)C1 1503745444 FPZHGMDOIBLMAU-FGZHOGPDSA-N 465.602 2.136 30 10 JEEE COc1cc(Cn2c(C(C)C)nnc2N2CCN(c3cc(C#N)ccn3)CC2)ccc1OCCO 1504088660 DRZOYVBQMHDBBS-UHFFFAOYSA-N 477.569 2.423 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1CCN1CCN(Cc2ccccc2)CC1 1507540957 HCMUTPFDWBBNOV-JOCHJYFZSA-N 460.630 2.415 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1CC[S@](=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1507638377 DWYLLUIDBGQKSA-QJWGWKRISA-N 476.668 2.237 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@H]1CC=CCO1)[C@@H]1CCS(=O)(=O)C1 1507640074 ONSUHPIIVIOXLL-TZIWHRDSSA-N 456.568 2.137 30 10 JEEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@]1(OC)CCOC1 1507650320 HXCJZOVUZMMYGB-DEOSSOPVSA-N 457.575 2.271 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2c(c1)[C@H](C)[C@@H](C)O2 1507671722 OXSGPYQMGBJJHU-PWHSHALESA-N 497.621 2.007 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@H]1CCS(=O)(=O)C1 1507686792 GDXUHGNLSFEVMY-QGZVFWFLSA-N 468.583 2.130 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(Br)c3)n2CC[S@](=O)CC)CC1 1507718859 TVCOSUBUNCICJO-HHHXNRCGSA-N 450.406 2.231 30 10 JEEE C#CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)C[C@@H]1CCCOC1 1507751923 PNBMIBOPLJBORV-KRWDZBQOSA-N 462.645 2.467 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1507809234 IPZYURKUOUEVQJ-YLJYHZDGSA-N 455.625 2.046 30 10 JEEE C=C(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN([C@@H](C)C(=O)NCCCOC)CC1 1507828029 OQPXKZNTFQZXEI-IBGZPJMESA-N 451.575 2.056 30 10 JEEE C=CCCCCn1c(-c2cnccn2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1507930804 JBBRDUFGMGCCHX-UHFFFAOYSA-N 451.535 2.149 30 10 JEEE C=CCCOCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(C(=O)C(C)C)CC1 1507962319 QEBNUJXGTIFMQT-UHFFFAOYSA-N 489.646 2.136 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CCN(C(C)=O)C[C@H]1C 1508078135 VBSOGYCYUCATRM-GFCCVEGCSA-N 467.393 2.128 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCC[C@@H](COC)C1 1508087000 MZSFKYHIGMGKNT-GOSISDBHSA-N 479.585 2.401 30 10 JEEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1516806701 ABPLCYBTWSQVCY-UHFFFAOYSA-N 484.626 2.480 30 10 JEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 1531579240 GGKNJGNEKZOREA-UHFFFAOYSA-N 456.511 2.169 30 10 JEEE C#CCCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1539123675 BIUUXBZUMOERRB-UHFFFAOYSA-N 456.541 2.305 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@](O)(c1ccccc1)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1539216189 OVTSAPJAEVFZQV-LAUBAEHRSA-N 493.511 2.350 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2CCCc2cnn(C)c2)CC1 1539488849 ORJIRZLGJWZMOB-UHFFFAOYSA-N 459.598 2.395 30 10 JEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](c2cccc(F)c2)C1 1539497963 PFKJPJHKFPUAFO-DOTOQJQBSA-N 451.593 2.388 30 10 JEEE C#CCSCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCO[C@@H](COC)C1 1539511540 YPBMWHPUCZMEID-GOSISDBHSA-N 482.610 2.283 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](CN2CCC(C)CC2)C1 1539704847 JQENCEYHLOWKRY-SFTDATJTSA-N 480.679 2.135 30 10 JEEE C=C(C)Cn1c(Cc2cn3ccccc3n2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1539710746 YSOTXMGFBKGFJH-RTBURBONSA-N 451.575 2.460 30 10 JEEE C=CCCCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1539955197 SFODHZGDUUHARM-UHFFFAOYSA-N 468.602 2.291 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H](C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1588074464 NEBRRAXHQDRRJK-QESAQDPVSA-N 472.611 2.433 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1c(F)cccc1F)N(C)C 1588228576 HJGSFMCBFVDVSM-XLIONFOSSA-N 475.565 2.224 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(Sc2ccccc2)CC1 1588386457 PDZUMWJBTYVNJQ-LJQANCHMSA-N 475.640 2.395 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@](C)(O)CCOC 1589216185 LJOJXWWKKNPEJL-DQMJNTIXSA-N 477.606 2.366 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](CN2CCCCCC2)C1 1593636935 USQPNLJHPXWNMG-NHCUHLMSSA-N 480.679 2.280 30 10 JEEE C=CCN(c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC[S@](=O)CC)C1CC1 1595026247 HRUPYMVMZBNXLY-SSEXGKCCSA-N 450.634 2.470 30 10 JEEE C=CCn1c(-c2cc(Br)cn2C)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1595330648 YUYFSHASONRKOZ-UHFFFAOYSA-N 489.378 2.289 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(C(=O)OCc2ccccc2)CC1 1595555969 LIBZWYQXLYBPHY-UHFFFAOYSA-N 475.553 2.025 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1595562447 ZIGZBGJFELQRJE-UHFFFAOYSA-N 470.521 2.128 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CC[C@@H](c2ccc(OC)cc2)C1 1595784634 KDVWTDGUFJCXEW-GOSISDBHSA-N 456.572 2.282 30 10 JEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CC[C@@H](Cc2ccccc2)C1 1595824210 YRAGZJQZCUJGDX-FQEVSTJZSA-N 457.600 2.070 30 10 JEEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCN(C(=O)c2c(F)cccc2Cl)CC1 1595831149 MDLLXWNOYDKAKQ-UHFFFAOYSA-N 499.996 2.170 30 10 JEEE CC(C)NC(=O)c1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1C[C@H]1CCCN1CCCO 1608341027 FJRUSIJFSMQNAL-HSZRJFAPSA-N 477.613 2.428 30 10 JEEE N#Cc1ccc(N2CCN(C(=O)CNS(=O)(=O)c3ccc4ccccc4c3)CC2)c(F)c1 1610993975 HGHGMBRWTWMZEE-UHFFFAOYSA-N 452.511 2.478 30 10 JEEE COc1ccc(O[C@@H](C)Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@H](C#N)C2)cc1 1619301979 FAAGEASIWGOXMB-QFBILLFUSA-N 463.498 2.130 30 10 JEEE N#CC[C@H]1CCCN(C(=O)c2ccc(Br)c(S(=O)(=O)N3CCOCC3)c2)C1 1632699294 BUUWKANPBIEFQV-CQSZACIVSA-N 456.362 2.236 30 10 JEEE CC(C)NS(=O)(=O)c1cc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)ccc1F 1633662105 FIVHATRIMAXHJE-GOEBONIOSA-N 454.524 2.001 30 10 JEEE C=CCn1c(S)nc2cc(C(=O)N3CCC(C)(CN4CCN(C)CC4)CC3)ccc2c1=O 1638236925 XEWSYXWEGADTHV-UHFFFAOYSA-N 455.628 2.361 30 10 JEEE CCOC(=O)Nc1ccc(NC(=O)N2CCC(C(=O)OCC)([S@@](C)=O)CC2)cc1C#N 1668187953 CGPOVBJZMJBKNK-WJOKGBTCSA-N 450.517 2.435 30 10 JEEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CCCOCC(F)(F)F)CC1 1689907992 SIPXSYSAWSPIQJ-UHFFFAOYSA-N 456.513 2.019 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1CC[C@H](SCC)C1 1689929712 CPFLSWCAKMPDFP-BZSNNMDCSA-N 455.650 2.135 30 10 JEEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1CCCN1CCC(O)CC1)[C@@H]1CCS(=O)(=O)C1 1689979658 FRRSPTCSVPQYPE-ISKFKSNPSA-N 499.681 2.294 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCC1CC(OCC)C1)[C@H]1CCS(=O)(=O)C1 1689990787 RSCGMQLILLXPLR-PCODVIEZSA-N 450.605 2.352 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccccc1CN(CC)CC)[C@@H]1CCS(=O)(=O)C1 1689991314 ZQTAWZGEVHUNLS-DHIUTWEWSA-N 485.654 2.299 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@H]1CCCN1CC)[C@H]1CCS(=O)(=O)C1 1689993038 ULKXSRAKHOGARS-YADHBBJMSA-N 455.628 2.288 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(Br)c2)n1C[C@@H]1CC(=O)N(CCOC)C1 1690003691 UYQXOZUUOCFYKZ-QGZVFWFLSA-N 470.371 2.275 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@](C)(O)CCOC 1690013137 CPBAKJFTBNPFCA-VWLOTQADSA-N 462.554 2.096 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1CCN1c2ccccc2C[C@@H]1C 1690092569 NAOIIOVYHNZLJM-IBGZPJMESA-N 459.554 2.463 30 10 JEEE C=CCN(CC=C)c1nnc(-c2ccc(Br)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1690586817 USAZAWSXZGYFDO-IBGZPJMESA-N 467.389 2.436 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1690717924 VMGALYGLYKAWLT-MRXNPFEDSA-N 455.462 2.185 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3ccccc3n2)n1CCNS(=O)(=O)Cc1ccon1 1705485290 HGQQBVQXNHQADI-MRXNPFEDSA-N 465.539 2.059 30 10 JEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2ccc(C)cc2)CC1 1705517489 WVNLGBNJHZMHQM-NRFANRHFSA-N 469.611 2.255 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1Cc1ccc(N(C)C)nc1)[C@@H]1CCS(=O)(=O)C1 1705569275 ARTJRKIXBDZELR-JOCHJYFZSA-N 478.622 2.313 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1CC[C@@H](C(F)F)N1CCOCC1 1705575122 BKWVKJZCYIBOLE-KRWDZBQOSA-N 495.372 2.475 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1Cc1cccnc1OCCOC 1705577967 ARNFYXCAINFWBA-UHFFFAOYSA-N 459.506 2.258 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCN(CC)C1 1705597652 MYEOPSFAEJZMDN-SFTDATJTSA-N 470.618 2.391 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(CC)cc3)n2CCCN2CCC[C@H]2C(=O)N(C)C)CC1 1705635797 LLFSDIFSFJDCIN-DEOSSOPVSA-N 477.657 2.205 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2CCCN2CCCO[C@@H](C)C2)CC1 1705643201 WATMOUSXYZHYLR-QFIPXVFZSA-N 482.629 2.122 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2cn(CCCCC)nc2C)CC1 1705648713 XAWFCGGBDDGIBR-NRFANRHFSA-N 467.618 2.491 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)C(C)C)CC1 1705707710 PULMZCCGWBFGCC-BURNTYAHSA-N 461.607 2.288 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(S(C)(=O)=O)CC1 1705712621 AHHXRRZLVUCOMQ-UHFFFAOYSA-N 452.602 2.328 30 10 JEEE C=C(C)COCCn1c(N2CCO[C@]3(CCO[C@@H]3C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1705740305 HPMAITLFJAALCT-UEVCKROQSA-N 450.580 2.296 30 10 JEEE C=CCN(CC=C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(S(C)(=O)=O)CC1 1705870022 AASSJSJCIGVTNA-UHFFFAOYSA-N 450.586 2.104 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN(C(=O)COc2ccc(F)cc2)CC1 1705905820 IFTPCIKAINXNAH-UHFFFAOYSA-N 498.584 2.099 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCc3ccc(F)cc3C2)nnc1[C@@]1(OCC)CCOC1 1705938716 HWVSOPOJYJZQCF-JOCHJYFZSA-N 464.563 2.233 30 10 JEEE C[C@H](C#N)CN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1(N2CCOCC2)CC1 1706069706 GJEWAEHVFGIQBA-QGZVFWFLSA-N 471.993 2.322 30 10 JEEE CC(C)(C)S(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1706185770 ACDNTIXYFLMTMA-HXUWFJFHSA-N 481.582 2.398 30 10 JEEE Cc1ccc(-c2nc(Cn3c([C@H]4CN(S(C)(=O)=O)CCO4)nnc3N(C)C[C@@H](C)C#N)co2)cc1 1707340223 BDLXMPDFGONYJS-FXAWDEMLSA-N 499.597 2.219 30 10 JEEE CC[C@@H](C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1708621060 CYWURMRFROMOMF-TZIWHRDSSA-N 465.602 2.280 30 10 JEEE CC[C@H]1CCCCN1CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1709251328 FMLYSNHYIXVREX-QHCPKHFHSA-N 478.645 2.291 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(COC)CCOCC1 1722280914 YTPYPTGCYURFMA-GOSISDBHSA-N 475.615 2.097 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C(C)(F)F)cc1 1722297355 ZBZFIUYWZZWWIN-CRAIPNDOSA-N 467.542 2.229 30 10 JEEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1722311600 YLYYTWFEZRCCGC-HXUWFJFHSA-N 452.584 2.329 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2ccccc2F)n1Cc1snnc1C)[C@H]1CCS(=O)(=O)C1 1722366786 SMNBZEBXAJITRT-CVEARBPZSA-N 490.586 2.392 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1NC(=O)CC1(C)C 1722429694 VKPGIAQGPIUZGM-OALUTQOASA-N 488.633 2.393 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCN2CCOCC2(C)C)CC1 1722432508 YAHJHHVMPMMOLD-FQEVSTJZSA-N 470.593 2.423 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2Cc2ccc(NC(C)=O)nc2)CC1 1722442204 PKDUHRYVDNYNQN-UHFFFAOYSA-N 459.554 2.322 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2cccc(C(OC)OC)c2)CC1 1722446534 ZYPUXGNPSSHMSN-UHFFFAOYSA-N 475.553 2.041 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(C)(C)c2ccccc2F)CC1 1722446883 ARACWROKDCJXAG-HXUWFJFHSA-N 466.561 2.312 30 10 JEEE C=C(C)COCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1722530861 ZPRYXPWFTRILDQ-KRWDZBQOSA-N 456.547 2.111 30 10 JEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(N3CCOC3=O)cc2)CC1 1722574598 NYBXTBYSDBMKFG-MRXNPFEDSA-N 474.587 2.296 30 10 JEEE C=CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 1722687835 MWTKVOUNPBCOKD-RXVVDRJESA-N 454.623 2.143 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1722716437 VBYSJDOIQQFJNO-CVEARBPZSA-N 499.435 2.241 30 10 JEEE Cc1nc(N2CCOCC2)sc1-c1nnc(N(C)[C@@H](C)CC#N)n1CCCC(=O)N(C)C 1724091631 HZOOOWQVYYWWTN-HNNXBMFYSA-N 460.608 2.153 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCOCC(F)(F)C(F)F)[C@H]1CCS(=O)(=O)C1 1740620264 UPKUXVSIUZVTLS-KRWDZBQOSA-N 499.490 2.360 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCc1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1740625719 HSQNVEVWQGCMQM-WOJBJXKFSA-N 458.584 2.050 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nc(C(F)(F)F)cs1 1740656215 ITERUIKIQXAPKR-CYBMUJFWSA-N 457.503 2.167 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2Cc2cccc(C(F)F)c2)CC1 1740708199 GLDGVXUZGKMQIL-UHFFFAOYSA-N 470.524 2.352 30 10 JEEE C#CCSCCn1c(N2CCN(C(=O)c3ccccc3)CC2)nnc1[C@]1(OCC)CCOC1 1740723805 UJNBHKTZSMSPEJ-DEOSSOPVSA-N 469.611 2.259 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1sc(C)nc1C 1740774154 NAMKNFFWFHIKEH-MRXNPFEDSA-N 454.622 2.135 30 10 JEEE C=C(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1740777639 SLQXTKVTJUJMTA-UHFFFAOYSA-N 453.591 2.370 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1740956704 YJRWPTITGMELOJ-NRFANRHFSA-N 451.619 2.160 30 10 JEEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@@H](C(C)C)C1 1740959427 VDHGWGHJYHBQJA-QGZVFWFLSA-N 459.620 2.413 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1740962198 VQSIHKHIRMEKQM-ZWKOTPCHSA-N 469.590 2.306 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC(CNC(C)=O)CC2)nnc1C1(c2ccccc2)CCC1 1740964382 BJOKSEXZPCKXFK-UHFFFAOYSA-N 450.587 2.403 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccc(NC(=O)[C@@H]3CCCO3)c2)C1 1740970337 JNKBGNAIANIPMC-RTWAWAEBSA-N 482.585 2.363 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(Cl)cc2)C1 1740981014 NKRSHBFCOHHDRZ-MOPGFXCFSA-N 482.006 2.094 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC(O)(c2ccccc2)CC1 1740992604 RLOQXEPHYZZCKF-LJQANCHMSA-N 460.600 2.261 30 10 JEEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1740995625 RSPTTZHJJLJGGP-LJQANCHMSA-N 489.690 2.003 30 10 JEEE CC[C@H](C)[C@@](C)(O)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2ccccc2C#N)CC1 1743504277 CZLGGKCWMYJGQL-DFBJGRDBSA-N 465.602 2.396 30 10 JEEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCN(CC)CCC(F)(F)F 1744696611 GIMGOBDRGWTWOQ-INIZCTEOSA-N 465.528 2.492 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCCO3)n2CC(=O)NCc2ccco2)c1 1748692006 AZXKHCCGOFDFPK-NRFANRHFSA-N 476.537 2.485 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@H]1CC(F)(F)CO1)[C@H]1CCS(=O)(=O)C1 1748819458 OYZZKGUEEAOTBB-RBUKOAKNSA-N 464.538 2.228 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CCO[C@@H]1CCCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1748819787 UFMSTWUPFLNQCC-KSEOMHKRSA-N 471.627 2.486 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@](C)(O)CC 1748960353 ISHJRSYPSGKPEB-DEOSSOPVSA-N 452.559 2.483 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCc2ccc(F)c(F)c2)CC1 1749008533 BCDLOVWMLPNUJU-UHFFFAOYSA-N 453.497 2.165 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCCN(C(=O)C(C)C)CC1 1749114308 AAQZSTIQGONVBF-VQTJNVASSA-N 458.607 2.190 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2cc(NC(=O)OC(C)(C)C)ccc2C1 1749669385 HQHJGSSWNFCDBN-IBGZPJMESA-N 495.584 2.441 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC2(C(N)=O)CCOCC2)C1 1749695728 IAYWYXWXZDSKNM-OAHLLOKOSA-N 479.379 2.099 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@](F)(C#N)C1 1749721365 IEGWYOUBLZZTAV-OAQYLSRUSA-N 460.535 2.190 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC=C(C)CC1 1749725648 TYQZHVANVRAHNK-UHFFFAOYSA-N 478.644 2.304 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CC(F)(F)Br)[C@H]1CCS(=O)(=O)C1 1760188428 PDHGJPSDDCMUDA-QWHCGFSZSA-N 467.336 2.134 30 10 JEEE C#CCN(c1nnc(COCC)n1C[C@@H]1CCCN1C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1760191857 AOXGPHZDLHKHTF-LEWJYISDSA-N 463.648 2.238 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2CC(C)(C)C(=O)NC)CC1 1760255766 IFGJCOQHVAPCRN-UHFFFAOYSA-N 489.418 2.244 30 10 JEEE C#CCN1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2C[C@@H](OC)C(C)(C)C)CC1 1760260295 OGSKPMMOWSDTRD-OAQYLSRUSA-N 477.613 2.491 30 10 JEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](Oc2ncccc2F)C1 1760273558 YFJRSZZDMIWXCA-QGZVFWFLSA-N 458.563 2.462 30 10 JEEE C#CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1760282583 JJQBZPMKORKETR-OAQYLSRUSA-N 470.618 2.117 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCN(c2cnccn2)CC1 1760316733 WJGFVLVGHPTWBX-DYXWJJEUSA-N 457.579 2.100 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(=O)N2CCCC2)n1C[C@]1(O)CCO[C@H]1C 1760475848 WXAMALLBMYUJQV-MHECFPHRSA-N 455.559 2.255 30 10 JEEE C=CCN(CC=C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCN1CCOC[C@@H]1C 1760495819 XUIWKNBSNKQCCK-FQEVSTJZSA-N 452.607 2.351 30 10 JEEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCN(c2ccccc2Cl)CC1 1760558302 LQXANVZKVDFVTH-UHFFFAOYSA-N 453.996 2.395 30 10 JEEE CCn1cccc(Cn2c(C3CCN(c4ncccn4)CC3)nnc2N(C)C[C@@H](C)C#N)c1=O 1765344699 HCVCQJHYWPWYMF-SFHVURJKSA-N 461.574 2.278 30 10 JEEE CN(C)S(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C[C@@H]2CCOC2)C1 1766943747 AQNDXMJIDFIVMI-PMACEKPBSA-N 472.615 2.351 30 10 JEEE COCCn1c(COc2ccc(Cl)cc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1769866242 DQMLMBZSPCZTPG-UHFFFAOYSA-N 470.965 2.397 30 10 JEEE CC(=O)NCCNC(=O)Nc1ncccc1OCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 1858793091 BUZYTTKGCPBEOL-CYBMUJFWSA-N 470.555 2.415 30 10 JEEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccccc1[N+](=O)[O-] 1862740587 UVLKRNJYKUXHPH-SFHVURJKSA-N 454.395 2.217 30 10 JEEE O=C(C1=C(O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccccc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 1862754178 FSYLPIPNNCXHSU-HXUWFJFHSA-N 482.449 2.414 30 10 JEEE C[C@H](CNC(=O)OC(C)(C)C)NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2247901076 DULKFMIRYNIKBS-CYBMUJFWSA-N 460.427 2.380 30 10 JEEE Cc1nn(C)c(C(=O)N[C@H]2C[C@@H](NC(=O)OCc3ccccc3)C2)c1B1OC(C)(C)C(C)(C)O1 2255631570 AVZONXVVOMCFHR-HDICACEKSA-N 468.363 2.215 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCOC[C@@H]1NC(=O)c1csc(B2OC(C)(C)C(C)(C)O2)c1 2255705136 QLPGIUXDRWQPEB-GJZGRUSLSA-N 452.382 2.459 30 10 JEEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)[C@@H]2C[C@@H]21 2255752609 KOLXWDYMUIYZCC-LSDHHAIUSA-N 470.422 2.430 30 10 JEEE CN(CCNC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2255800500 SVTMRSCIUPMGPU-UHFFFAOYSA-N 458.361 2.270 30 10 JEEE CNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2255932265 AAFAJWXMZIVTKC-UHFFFAOYSA-N 464.418 2.293 30 10 JEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CCOC[C@H]1CNC(=O)OC(C)(C)C 2267007056 WMBTUIWIGGGIKB-OAHLLOKOSA-N 450.341 2.253 30 10 JEEE C[C@@H]1CN(Cc2ccccc2)C[C@@]1(C)CNC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2281949790 NPLUFFNEAJUOIQ-MZNJEOGPSA-N 453.396 2.002 30 10 JEEE CC(C)CN(C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1)C1CN(C(=O)OC(C)(C)C)C1 2281961013 HPCVOJYUPJCKCI-UHFFFAOYSA-N 462.400 2.437 30 10 JEEE CC[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2CN1C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2281991329 YRQMTGIVVZYPBC-HLLBOEOZSA-N 460.384 2.426 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C 2282005405 PKUWABFTXDEAFQ-HUUCEWRRSA-N 462.400 2.449 30 10 JEEE CCn1cc(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 2282007478 CFDPSYQHULIFNL-CABCVRRESA-N 466.363 2.280 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)C[C@H]1CO 2282180895 YQVJVGMPPLLMNN-PKOBYXMFSA-N 460.380 2.334 30 10 JEEE CN(Cc1cnn(Cc2ccccc2)c1)S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282302367 LILSRBGSUSPUGC-UHFFFAOYSA-N 468.388 2.446 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@@H]2CN(Cc3ccccc3)C[C@H]2C1 2282528976 ZIEZAMKWCUDYFJ-UXHICEINSA-N 450.392 2.313 30 10 JEEE CC[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282555632 WKHYJAFYSZXWAJ-RDJZCZTQSA-N 462.400 2.485 30 10 JEEE CC(C)(C)OC(=O)NC[C@@]12CCC[C@H]1CN(C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C2 2282581856 NUKRDBNMNHFERV-NPMXOYFQSA-N 460.384 2.476 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@](C)(CNC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2282665990 UJRJSGBSHCGEHS-HSZRJFAPSA-N 461.368 2.137 30 10 JEEE CC(C)(C)OC(=O)NCc1nc(NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2O)n[nH]1 2282794908 OOEFYWHWTXOFOF-UHFFFAOYSA-N 459.312 2.087 30 10 JEEE C[C@H]1C[C@@H](NC(=O)C(F)(F)F)CCN1S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282875057 JWNFWAXEZOWOHL-JSGCOSHPSA-N 496.382 2.409 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1Cc2cccc(B3OC(C)(C)C(C)(C)O3)c2C1 2283966692 YAAGEXZEHIZMNV-QFBILLFUSA-N 458.364 2.198 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]1C(=O)NCCc1ccccc1B1OC(C)(C)C(C)(C)O1 2283978687 FOKJBRFYHNAZNJ-RTBURBONSA-N 460.380 2.327 30 10 JEEE CC(C)(C)OC(=O)NC[C@H](C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1)[C@@H]1CCOC1 2284039504 ISQINLDOSMXEAF-CVEARBPZSA-N 461.368 2.497 30 10 JEEE CC(C)(C)OC(=O)NC[C@@]12C[C@H]1CN(S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1)C2 2288267467 LJJLCQHOXIUGAL-LHSJRXKWSA-N 499.464 2.119 30 10 JEEE C=C(CS(=O)(=O)N[C@H](CCCCNC(=O)OC(C)(C)C)C(=O)OC)B1OC(C)(C)C(C)(C)O1 2289603163 ZGIIJYLQBJGFJV-MRXNPFEDSA-N 490.428 2.330 30 10 JEEE COc1ccc(C(O)=C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccnc2)cc1Cl 2296079814 XRQKHIIAPBMXKO-FQEVSTJZSA-N 457.914 2.498 30 10 JEEE COc1ccc(OC)c([C@@H]2C(=C(O)c3ccncc3)C(=O)C(=O)N2CCCN2CCOCC2)c1 2296091400 NSDWQOWFQBNWOT-JOCHJYFZSA-N 467.522 2.243 30 10 JEEE CN(C(=O)c1csnc1B1OC(C)(C)C(C)(C)O1)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1F 2320556384 UQELXEOKAQPMHL-KBPBESRZSA-N 455.361 2.472 30 10 JEEE CC1(C)OB(c2sncc2C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)OC1(C)C 2337402194 VMHAADFMJQISFJ-GOSISDBHSA-N 457.405 2.463 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H]2CN(C(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)C[C@@H]2C1 2359265870 RBGRITBOKMGVIV-PMPSAXMXSA-N 460.384 2.474 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)C2CCC2)n1C 2362566090 FCOAUHWCQJGYIH-MRXNPFEDSA-N 462.400 2.451 30 10 JEEE COc1nc(OCCN2CCN(C(=O)OC(C)(C)C)CC2)ccc1B1OC(C)(C)C(C)(C)O1 2365385302 JWYIAOALGZSLRQ-UHFFFAOYSA-N 463.384 2.321 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)N3CCC(NS(=O)(=O)c4ccc(F)cc4)CC3)cc2C1=O 27046535 GRSFBQNLEPNPEV-UHFFFAOYSA-N 471.510 2.191 30 10 JEEE C=C(C)COc1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C[C@H]3CCCO3)c2=O)ccc1OC 489092264 ASBDCJKXPUHKDF-LJQANCHMSA-N 497.617 2.080 30 10 JEEE COc1ccc(N2C(=O)C(Sc3nc(C)cc(C)c3C#N)=C(N(C)CCO)C2=O)cc1OC 526695592 UBIMHQMQIIQYMA-UHFFFAOYSA-N 468.535 2.389 30 10 JEEE COc1ccccc1[C@H](CNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)N1CCCC1 616172785 PAZLUKIYOZHJIM-QFIPXVFZSA-N 497.621 2.420 30 10 JEEE C[C@@H](c1cccs1)n1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cnn3ccccc23)c1=O 729672502 QSGUWBYTSXLUKD-INIZCTEOSA-N 475.599 2.354 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H](c1ccc(F)cc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1286387687 UCRZPSHFMQUAKJ-UNMCSNQZSA-N 484.601 2.352 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCN(CC)C(C)C)[C@H]1CCS(=O)(=O)C1 1286388447 PEHRVNYQBCCVLS-SFHVURJKSA-N 465.023 2.351 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1Cc1ccc(OCC(F)(F)F)nc1)[C@@H]1CCS(=O)(=O)C1 1286390951 AVGLQCIEFBAEJT-QGZVFWFLSA-N 485.532 2.488 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCc2ncc(CC)s2)CC1 1286487802 YERPTCICQPUAMO-UHFFFAOYSA-N 492.609 2.153 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1ccccc1O 1286791656 YFGJCOKGZDOCIS-SFHVURJKSA-N 486.573 2.231 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1286816420 KRIUJKTXCFHPHD-GOSISDBHSA-N 492.005 2.005 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1286823108 JVOIKDGMCIRFEL-CRAIPNDOSA-N 499.515 2.486 30 10 JEEE C=CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@H](CNC(C)=O)C1 1286826062 VMYUTEHLEGXIBQ-MRXNPFEDSA-N 483.436 2.307 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCCO3)n2C[C@@H]2CC[C@H](CO)O2)c1 1300335018 YJIAELXPZOBLKP-HBMCJLEFSA-N 453.543 2.116 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1Cc1cccc(O)c1)[C@@H]1CCS(=O)(=O)C1 1300489557 OZNQFGBHKVQBTL-QGZVFWFLSA-N 457.943 2.374 30 10 JEEE C#CCN(c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCC(C)C)[C@@H]1CCS(=O)(=O)C1 1300502755 WRKVIKUQXUCDAM-XMMPIXPASA-N 498.697 2.316 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(Br)n1 1300506102 MJZBWGBHMOETOO-UHFFFAOYSA-N 450.300 2.204 30 10 JEEE C#CCSCCn1c(N2CCN(Cc3cscn3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1300777731 BLMMPIOTJLUABT-JOCHJYFZSA-N 476.672 2.464 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1CCc1ccc(S(N)(=O)=O)cc1 1300813894 UJYGNIQBGHTXPP-HSZRJFAPSA-N 498.634 2.152 30 10 JEEE C=C(Br)Cn1c(-c2cccn2C)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1300837117 IJDBKZDGPJYMFS-LJQANCHMSA-N 462.352 2.007 30 10 JEEE C=C(Br)Cn1c(-c2ccc[nH]2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1300839206 DPAUJRLMSGAQHW-UHFFFAOYSA-N 456.352 2.422 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(O)cc2)CC1 1300877054 VYDGRNSRSUPXKZ-GHTZIAJQSA-N 454.575 2.430 30 10 JEEE C=CCn1c(Cc2ccccc2OC)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1301458220 IUOBGOGEYGRDOH-JOCHJYFZSA-N 454.619 2.295 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 1301506346 JHVWDVRTIOSBJF-GOSISDBHSA-N 455.563 2.060 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1301514683 LLNFDSLPSOMMAB-IBGZPJMESA-N 452.559 2.059 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC(=O)N1CCOCC1 1301967468 DNVIIMJOIIIQCJ-OALUTQOASA-N 489.621 2.237 30 10 JEEE CNC(=O)[C@@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCCO[C@H](C)C2)C1 1314965069 ICVSQPOKDIBNSY-CLOONOSVSA-N 465.602 2.280 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)c(Br)c1 1357794403 ACFKGAXSYZOXRG-WFASDCNBSA-N 481.390 2.094 30 10 JEEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](c1ccc(C)cc1)N1CCOCC1 1358937132 JQOMSMORNSZUKC-NRFANRHFSA-N 459.554 2.377 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1Cc1nccn1C(F)F)[C@@H]1CCS(=O)(=O)C1 1358959351 HDPKKZGHDCJJOZ-QGZVFWFLSA-N 471.493 2.083 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@@H]1CC(F)(F)CO1)[C@@H]1CCS(=O)(=O)C1 1358959976 UAYKEIJIQBSJPS-CVEARBPZSA-N 466.510 2.005 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(Br)c2)n1CC1(C(N)=O)CCOCC1 1358971286 PCIBJFXHQYKTND-UHFFFAOYSA-N 456.344 2.063 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1359021166 DXPASJPCBNIXDL-UHFFFAOYSA-N 475.553 2.157 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2CCN2CCOCC2(C)C)CC1 1359043279 OKSHIUDFJLESIF-UHFFFAOYSA-N 450.587 2.022 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1CCc1ccc(OC)c(OC)c1OC 1359069486 NBSKBGMJJCXMOT-MZNJEOGPSA-N 453.543 2.490 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCCCCC1 1359098689 DULUCQHLKCNNBF-UFYCRDLUSA-N 467.636 2.363 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCSCC1)C(C)C 1359265670 KCLNAWTWTWUISP-RTBURBONSA-N 453.678 2.432 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N(C)Cc1nc(O)c2sccc2n1 1359332488 YRFQUJJANQNVST-OAHLLOKOSA-N 478.600 2.467 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CC[C@@](O)(Cc2cccc(Cl)c2)C1 1359332795 HDVPSFOVXDHCSP-PGRDOPGGSA-N 481.018 2.220 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCO[C@@H](Cc2ccccc2)C1 1359334021 QSUXPXHWQFGKNQ-QFIPXVFZSA-N 467.595 2.313 30 10 JEEE C=CCN(CC=C)[C@@H](CNC(=O)NCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)C(C)C 1467660673 WRENCASAYZMAMB-IBGZPJMESA-N 451.612 2.064 30 10 JEEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1ccccc1C(F)(F)F 1470394118 LNUWLQJWFQXTCA-LZWOXQAQSA-N 459.490 2.327 30 10 JEEE CSc1cccc(F)c1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N 1505206890 HDMTYFKAXJPRGN-RHSMWYFYSA-N 482.607 2.116 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC1CCN(CC(F)(F)F)CC1 1507538436 MIHNFPHITMXFAV-WBVHZDCISA-N 461.554 2.303 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1ccccc1OC 1507588849 ROYIUSVRWOUABN-PZJWPPBQSA-N 473.599 2.375 30 10 JEEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1507593531 RHBFRFANIKNMAB-UHFFFAOYSA-N 462.558 2.095 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC[C@H]1CCO[C@@H](C)C1 1507710511 PLCZLVVVCNMDBP-OALUTQOASA-N 464.570 2.483 30 10 JEEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCN(C)C(=O)OC(C)(C)C 1507711091 NPKXXVHSPUVWAF-UHFFFAOYSA-N 498.632 2.405 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccn2)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1507801870 YMROZFHOCHVXGU-SBHAEUEKSA-N 475.615 2.351 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1507844471 KKEUJEAHSLNVOO-SFTDATJTSA-N 471.583 2.222 30 10 JEEE C=C(Cl)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(NC(=O)C(C)C)CC1 1507858163 FXGFHJMMSNUIAJ-UHFFFAOYSA-N 455.954 2.414 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1n[nH]c(C)n1 1508025888 UFDJUWWVYJNZDU-LJQANCHMSA-N 455.588 2.085 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCNc2nccc(C(F)(F)F)n2)C1 1508108528 HMOBVGYWYTWJMC-AWEZNQCLSA-N 468.484 2.119 30 10 JEEE CN(C)CC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1517010384 FOCLSOFBEWJCCT-IBGZPJMESA-N 468.581 2.154 30 10 JEEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(OC(F)(F)F)cc2Br)C1=O 1519619012 FVNIMGLYJRMLQG-UHFFFAOYSA-N 450.167 2.263 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCN1CCSCC1 1539025236 GQIRRCININDJJN-JOCHJYFZSA-N 467.687 2.150 30 10 JEEE C#CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1539060107 YIUFWKSILLBXLA-FQEVSTJZSA-N 468.587 2.128 30 10 JEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCCN1CCN(CC)CC1 1539179734 REXMFZPLUMZIQT-NRFANRHFSA-N 489.665 2.074 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCOC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1539229450 DFJMPAXXPSWXKY-GIVPXCGWSA-N 483.594 2.028 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@](C)(O)[C@@H](C)CC 1539416856 TZCMTEIGMQOWRZ-JXQFQVJHSA-N 479.622 2.470 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 1539447831 WWRFXFXRAHMPPW-VQTJNVASSA-N 458.607 2.184 30 10 JEEE C#CCN1CCN(c2nnc(CCCc3ccccc3)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC1 1539454407 MZQPLYBWSRNILR-JOCHJYFZSA-N 490.574 2.472 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@H]2CCCCS2(=O)=O)CC1 1539470430 PCHMRPBXTPZQFI-JOCHJYFZSA-N 483.638 2.441 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Br)cc3)n2Cc2nncn2CC)CC1 1539470534 UAZUPSVIJAIWSV-UHFFFAOYSA-N 497.401 2.333 30 10 JEEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccccc2[C@@H]1C 1539751169 HSRDMBWYHRIXST-GHTZIAJQSA-N 475.615 2.327 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(F)(F)C2(OC)CCOCC2)CC1 1539848433 OHBPIZQFXIHMBB-MRXNPFEDSA-N 460.547 2.168 30 10 JEEE C=CCC(C)(C)Cn1c(-c2cnccn2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1539912524 MHCOKEZJGWWEOE-NQIIRXRSSA-N 452.607 2.326 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCc1ccc2c[nH]nc2c1 1541934935 HLLYUXTZEIIRTB-QVKFZJNVSA-N 456.576 2.137 30 10 JEEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 1544477103 PQZMFIFQMXALLD-IBGZPJMESA-N 458.559 2.124 30 10 JEEE CC(C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCCN1CCCO[C@@H](C)C1 1545091305 DYSFOGOQPODPMT-PMACEKPBSA-N 467.622 2.279 30 10 JEEE CCCN1CCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(OCC(N)=O)CC1 1547206423 CAPZQWQBJQQWCN-FQEVSTJZSA-N 451.575 2.162 30 10 JEEE N#CCCN(CCN1CCOCC1)C(=O)Nc1ccc2c(c1)N(CC(F)F)C(=O)CS2 1562794654 DGTJZMXSTSYBSA-UHFFFAOYSA-N 453.515 2.470 30 10 JEEE C=CCC[C@H](CO)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1 1568995634 XVFXLVIVOAPASQ-QWHCGFSZSA-N 451.408 2.355 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)s1 1587220839 PGFOPRHLGFRQKK-UHFFFAOYSA-N 450.542 2.012 30 10 JEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)Nc2ccc(C)cn2)CC1 1587705296 AKTFLGQVYZEJMI-SFHVURJKSA-N 487.630 2.250 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1CCc1ccc(OC)cc1OC)[C@H]1CCS(=O)(=O)C1 1588029726 LFRGVRBQJOVOFX-SFHVURJKSA-N 460.600 2.462 30 10 JEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1ccc(OC)nc1 1588090235 UMOAMRFCQXYIKO-UHFFFAOYSA-N 463.567 2.071 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CC2(N3CCSCC3)CCCC2)CC1 1588732532 CHDMVVAAZCPFPJ-UHFFFAOYSA-N 487.718 2.313 30 10 JEEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2CC2CCN(CCN(C)C)CC2)CC1 1588836500 KJRNWXDOAIKUOA-UHFFFAOYSA-N 485.627 2.176 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2C[C@H]2OCC[C@H]2C)CC1 1588962259 YPGJTBISABYDII-DENIHFKCSA-N 451.571 2.290 30 10 JEEE C=C(Br)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2cccnn2)CC1 1589287567 BHXNNULFVIQVLM-UHFFFAOYSA-N 463.384 2.222 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCCOCC1 1589506268 UHCKNYXZDYDBEC-TZIWHRDSSA-N 475.615 2.403 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(CC(=O)NCC)CC1 1589514535 HAHWPKLNVHJLSI-REWPJTCUSA-N 468.602 2.193 30 10 JEEE C=CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@H](N1CCOCC1)C(F)(F)F)C1CC1 1595020595 KRCIKXHUMLZTKB-INIZCTEOSA-N 465.480 2.343 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1CC1(NC(=O)OC(C)(C)C)COC1 1595297008 LJUCYFFOXVOWNG-QGZVFWFLSA-N 451.568 2.105 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCN(Cc2cnc(C)s2)CC1 1595523561 YODITHAEURCTPW-UHFFFAOYSA-N 467.599 2.343 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1scnc1C 1595551890 XURAZPPADMWQFG-MRXNPFEDSA-N 491.618 2.290 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CC[C@@](C)(N3CCOCC3)C2)cc1 1595607587 HUBMOWDLKKCEPO-RUZDIDTESA-N 468.602 2.330 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC(S(C)(=O)=O)CC1 1595822349 GLMPGGDUVQPHHN-UHFFFAOYSA-N 496.655 2.088 30 10 JEEE C[C@@H]1CN(C(C)(C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(OCC(N)=O)CC2)C[C@@H](C)O1 1612873372 ARMZHCHCFLRULK-RTBURBONSA-N 495.628 2.175 30 10 JEEE CS[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1620193395 DKTBBYHTXXGEDG-QGZVFWFLSA-N 455.588 2.142 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CSC[C@@H]2C(=O)Nc2ccccc2)s1 1625190548 XSIARTLZEMEGKN-MRXNPFEDSA-N 451.595 2.295 30 10 JEEE C#C[C@@H](NC(=O)c1cc(S(N)(=O)=O)cc([N+](=O)[O-])c1C)c1ccc(Br)cc1 1641517344 HIDYQAYPQYOWRV-OAHLLOKOSA-N 452.286 2.417 30 10 JEEE C=CCc1cc(C=O)cc(OC)c1OS(=O)(=O)c1ccccc1S(=O)(=O)NC1CC1 1653861415 OJFPCJYHQITEME-UHFFFAOYSA-N 451.522 2.445 30 10 JEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H]2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)cc1 1658321403 VGPSUSXGGALWGK-PIIMJCKOSA-N 450.561 2.480 30 10 JEEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(N(C)C3CCCCC3)c(F)c2)CC1 1658337495 AKPQUXSJMCICDO-UHFFFAOYSA-N 451.568 2.212 30 10 JEEE COC(=O)c1cccc2c(S(=O)(=O)N3CCN(c4nccnc4C#N)C[C@H]3C)cccc12 1668035487 CJCCSBVOIINOHJ-OAHLLOKOSA-N 451.508 2.187 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCCOCC1CC1)[C@@H]1CCS(=O)(=O)C1 1689981908 DIGHXWAJQKTSLI-QGZVFWFLSA-N 496.431 2.479 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCN1CCCCCC1=O 1690015409 LQRNOKIUTVWPTB-UHFFFAOYSA-N 457.538 2.459 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCCC(F)(F)C1 1690047688 WWZUMZKPOIZHLF-RTBURBONSA-N 483.585 2.290 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc3cccnc23)n1C[C@@H]1CCCS(=O)(=O)C1 1690098456 JEVUJJOORMWCAH-SFHVURJKSA-N 453.568 2.404 30 10 JEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F 1690154572 RZCUCYPOUMPBPG-UHFFFAOYSA-N 455.510 2.269 30 10 JEEE C#CCSCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC(OCC(N)=O)CC1 1690171295 ZPBBJIGVDYRWAP-UHFFFAOYSA-N 466.567 2.437 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1690430150 DVLVXANBDTZSLF-FQEVSTJZSA-N 486.642 2.484 30 10 JEEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1690449627 MBDDVCHXXQCRLU-UHFFFAOYSA-N 468.606 2.250 30 10 JEEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 1690469023 AWVPHDMJKAWVNN-SFHVURJKSA-N 452.625 2.213 30 10 JEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(O)(c2ccccc2)CC1 1690508198 CXHCLAATZQGJGL-LJQANCHMSA-N 460.600 2.261 30 10 JEEE C=CCN(C)c1nnc(-c2noc3c2COCC3)n1Cc1cccc(OCC(=O)N(C)C)c1 1690524062 YPPFLUCHCXVBJP-UHFFFAOYSA-N 452.515 2.143 30 10 JEEE C=CCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N(C)CCN1CCOC(C)(C)C1 1690648253 SCISGLXUZHDIHJ-UHFFFAOYSA-N 467.662 2.376 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1690664552 XKOHQYBDDDWCIU-UHFFFAOYSA-N 488.658 2.453 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccc(C)n(C)c2=O)C1 1690688118 ORVYBMSDCUSYSO-HYBUGGRVSA-N 457.575 2.155 30 10 JEEE Cc1ccc(C(C)C)c(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@]2(O)CCS(=O)(=O)C2)c1 1693021128 IEVXLEFABZDART-DHIUTWEWSA-N 491.589 2.281 30 10 JEEE CN(C)C(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](N2CCCCC2)C1 1696586363 BHUCYHAXIDEDGM-HXUWFJFHSA-N 451.575 2.272 30 10 JEEE COC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CCN2[C@@H](C)CC[C@@H]2C)CC1)OC 1697755292 GGMRWVDBRWPOGO-HFMPRLQTSA-N 481.645 2.473 30 10 JEEE COCCN(CCC#N)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@]1(O)CCO[C@@H]1C 1698058297 DNZRRIQVKRINEI-HXOBKFHXSA-N 451.531 2.242 30 10 JEEE C#CCN(c1nnc(CCOc2ccccc2)n1CCc1ccccn1)[C@H]1CCS(=O)(=O)C1 1705568027 FWNDXDQDXCWJFQ-NRFANRHFSA-N 465.579 2.164 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@]1(O)CCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1705568735 UOIMBHRJMSZWGX-LYHRCORUSA-N 476.574 2.174 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H](C)Oc1ccccc1F)[C@H]1CCS(=O)(=O)C1 1705571749 HDEOIGCHTSAMPM-FUHIMQAGSA-N 462.547 2.363 30 10 JEEE C#CCN(CC#CC)c1nnc(COc2ccc(C#N)cc2)n1CC1CCS(=O)(=O)CC1 1705601461 KCEOGVCMFAVRNK-UHFFFAOYSA-N 451.552 2.016 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCCNC(=O)C(C)C)CC1 1705643354 COFHORLKGWUZPT-FQEVSTJZSA-N 487.649 2.268 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(C)C)C(=O)C1 1705693517 HMODLKMBIZZRNQ-GHTZIAJQSA-N 467.574 2.211 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(c2ccnc(C)n2)CC1 1705901966 AZUHUCLACSDCGF-UHFFFAOYSA-N 452.950 2.326 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](C(C)(C)C)C1 1705904823 ZMFQQDRNYRNFGP-ROUUACIJSA-N 492.621 2.140 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1705933100 UMEYEQNKBNFDHB-FQEVSTJZSA-N 474.562 2.479 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCN(CC(F)(F)F)CC1 1705935048 FJHVZPAVMLSQEG-UHFFFAOYSA-N 475.512 2.293 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2CC)nnc1N1CCC2(CC1)CNC(=O)C2 1705937825 FZHWUZCBNQCVLG-UHFFFAOYSA-N 487.626 2.127 30 10 JEEE CC(C)(C)OC(=O)NCC(F)(F)Cn1c([C@@H]2CCCCO2)nnc1N1CCO[C@H](C#N)C1 1706165372 IEXFDUNLFBRLMB-CABCVRRESA-N 456.494 2.408 30 10 JEEE COCCN(CCC#N)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1(O)CCCC1 1712453966 FAHZNHRONPIDSM-UHFFFAOYSA-N 454.579 2.124 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCCCS(C)(=O)=O 1722290655 AVGOIUBJDWSNII-QGZVFWFLSA-N 470.599 2.348 30 10 JEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 1722316111 BIFIKOPEZOXHTJ-LJQANCHMSA-N 471.631 2.224 30 10 JEEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CC1CCC(C(F)(F)F)CC1)[C@@H]1CCS(=O)(=O)C1 1722368654 SKTNQMHRNCFIDY-BHUNQDJPSA-N 487.548 2.225 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1CCn1cc(Cl)cn1)[C@@H]1CCS(=O)(=O)C1 1722371969 NNXDXYOXDVEKRR-HXUWFJFHSA-N 473.002 2.240 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1CCS(=O)(=O)CC1 1722428195 XFKQEVFBTLCROT-RTBURBONSA-N 452.621 2.108 30 10 JEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1Cc1cnn(CC(C)C)c1C 1722446707 JGNGYZCODDNPOI-UHFFFAOYSA-N 453.547 2.301 30 10 JEEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1722453753 BEEMRDVNLSYYOT-IBGZPJMESA-N 493.641 2.276 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)Oc1ccccc1 1722474182 MMDCJFJKDQEXNV-GREBRCKQSA-N 473.599 2.071 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1722508551 JMURPMFMDJQIKT-SIKLNZKXSA-N 474.631 2.105 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)Cc1ccon1 1722725699 QTJCJSMZDOABLI-UHFFFAOYSA-N 458.544 2.372 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@H](CN2CCOCC2)C1 1722730696 ACTXIJIHKIHXPY-HXUWFJFHSA-N 468.602 2.188 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN(C)CC(F)(F)F 1740547100 OGHXKURUORISSD-AWEZNQCLSA-N 457.526 2.190 30 10 JEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 1740567374 QQUNJCCSJNOVSN-LJQANCHMSA-N 478.663 2.167 30 10 JEEE C#CCCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1740568882 TXRKKAUQYSHDEF-UHFFFAOYSA-N 471.005 2.383 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H]1CCCc2cc(OC)ccc21)[C@@H]1CCS(=O)(=O)C1 1740616360 ZSWTUAHHMBKBKP-WOJBJXKFSA-N 499.637 2.172 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCOc2ccc(OC)cc2)CC1 1740693470 ZDXDBQAZCMRJPY-RUZDIDTESA-N 469.586 2.162 30 10 JEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 1740709742 QTDRDQYDWUKKLE-SJLPKXTDSA-N 493.630 2.493 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)NC(C)C 1740732099 RLGNYEMCCISQJU-UZUQRXQVSA-N 460.579 2.103 30 10 JEEE C=C(C)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1740778723 BSMHCTBPKRLWMC-LJQANCHMSA-N 494.600 2.078 30 10 JEEE C=CCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1740842816 MMTPQYJIMYJFAE-OAQYLSRUSA-N 475.682 2.250 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cc2ccccn2)n1C[C@]1(O)CCS(=O)(=O)C1 1740913185 AABONHOTEYALOD-XMMPIXPASA-N 483.594 2.015 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC1CC1 1740916281 IWENCRIKDZXJJO-NRFANRHFSA-N 470.599 2.475 30 10 JEEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1740943183 VOOKZNZCJOYQQS-DYESRHJHSA-N 486.020 2.036 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(CCC(C)(C)C)CC1 1740991981 KDQPITRLAOHOOO-IBGZPJMESA-N 453.653 2.331 30 10 JEEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN([C@@H](C)c2nc(CC)no2)CC1 1748697065 BSUYBVXQEZWRNK-SFHVURJKSA-N 454.579 2.146 30 10 JEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCc1ccc(C)cc1C)[C@@H]1CCS(=O)(=O)C1 1748802113 LDUUXVXRCUBWGM-OAQYLSRUSA-N 469.611 2.000 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1CCN1CCc2ccccc2C1)[C@H]1CCS(=O)(=O)C1 1748802369 OMVSQKHTKAKFIJ-NRFANRHFSA-N 455.628 2.261 30 10 JEEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCCSc1ccccc1)[C@H]1CCS(=O)(=O)C1 1748816045 WBLRGZQYAFYQLT-HKUYNNGSSA-N 473.624 2.038 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1CCN1CCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1748820485 CNODGKCLZGBNOS-NHCUHLMSSA-N 471.627 2.277 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2Cc2nnc(C(C)(C)C)s2)CC1 1749010935 SJJUAKUYBKVMAI-UHFFFAOYSA-N 466.615 2.447 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CCc2nccc(C(F)(F)F)n2)CC1 1749015457 WNITULAUPJNVGH-UHFFFAOYSA-N 463.508 2.494 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1749136410 MTEJFCVBJUYACW-RRPUWOKSSA-N 469.586 2.004 30 10 JEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 1749210202 DEKSIFYVNTUQEB-IBGZPJMESA-N 460.623 2.486 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H]2OCCC[C@H]2C1 1749368114 BGYDMYUXLCSVBS-OTWHNJEPSA-N 467.636 2.219 30 10 JEEE CC(C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1750980086 CFCDLQOXXJTKRC-NRFANRHFSA-N 463.586 2.474 30 10 JEEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 1760129799 ZJQQNWASNZRSRS-HXUWFJFHSA-N 476.647 2.148 30 10 JEEE C#CCN(c1nnc(C2CC2)n1CCc1ccc(OCC(F)(F)F)nc1)[C@@H]1CCS(=O)(=O)C1 1760190124 YHWLGTSBMHFCGK-QGZVFWFLSA-N 483.516 2.361 30 10 JEEE C#CCN(CC#CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1Cc1ccc(C(N)=O)nc1 1760218276 BPKKSCRQIOBWMU-UHFFFAOYSA-N 491.596 2.398 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC[C@@H]1CCO[C@@H](C)C1 1760246467 YNSOCKIOFKPQBR-RBUKOAKNSA-N 450.547 2.212 30 10 JEEE C#CCN(CCOC)c1nnc(Cn2ccc3ccccc32)n1C[C@@H]1CCCCS1(=O)=O 1760250670 KFAPZTIIRGTLSR-FQEVSTJZSA-N 455.584 2.334 30 10 JEEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1760351938 NFSGNXOAUCVYNW-FQEVSTJZSA-N 489.642 2.100 30 10 JEEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC2CCOCC2)CC1 1760428041 NQDCGLNRSXLMKY-HXUWFJFHSA-N 451.637 2.085 30 10 JEEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(S(C)(=O)=O)CC1 1760433395 FCFXGGYMZRQRLA-UHFFFAOYSA-N 452.602 2.328 30 10 JEEE C=CCCOCCn1c(-c2noc3c2COCC3)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1760449835 WQRZSOCEWDLYTR-QGZVFWFLSA-N 458.563 2.292 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCCN(c2cc(OC)cc(OC)c2)CC1 1760520297 JMAUSYQFBINIFP-UHFFFAOYSA-N 479.585 2.320 30 10 JEEE CCOC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CC(OCC)C2)C1 1765728846 HYRRSXPFUCIRQQ-HDJSMCDHSA-N 468.558 2.462 30 10 JEEE CCOC1CC(O)(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCC(C#N)CC2)C1 1766153064 HMLRUZHFUBGQHQ-UHFFFAOYSA-N 459.572 2.019 30 10 JEEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1Cc1ccc(COC)cc1 1766408439 BLLZLZPMDQXTMP-GOSISDBHSA-N 462.558 2.386 30 10 JEEE CCS(=O)(=O)N(C)CCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@@H](C#N)C1 1766697343 BODSEOPTIQTJOL-APWZRJJASA-N 497.021 2.472 30 10 JEEE COc1ccc(Br)cc1Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C#N)C1 1769949656 HTGSGDRFEQPPPU-MRXNPFEDSA-N 475.347 2.062 30 10 JEEE CSc1cccc(F)c1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1 1771425749 DHXAIMXTYIZYFF-KZULUSFZSA-N 456.544 2.240 30 10 JEEE COc1cc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2CCCNC=O)cc(OC)c1O 1862421763 PDOBCZXYPUYMKA-LJQANCHMSA-N 476.432 2.402 30 10 JEEE Cc1ccc([C@@H](C#N)NC(=O)CNC(=O)c2ccc3c(c2)C(=O)N([C@H](CC(C)C)C(=O)O)C3=O)cc1 1867462218 UVMFQKYKOFKFPQ-NHCUHLMSSA-N 490.516 2.201 30 10 JEEE COc1ccc(-c2csc(CCNC(=O)CN=C3NS(=O)(=O)c4ccccc43)n2)cc1 1869928014 MGVLDJAOFHMPOZ-UHFFFAOYSA-N 456.549 2.216 30 10 JEEE N#Cc1nnn(-c2ccc(N3CCCC3)cc2)c1NC(=O)c1ccc(N2C[C@@H](C(=O)O)CC2=O)cc1 1870151296 RKOFBLOXZRCLHQ-KRWDZBQOSA-N 485.504 2.429 30 10 JEEE COc1ccc(-n2nnc(C#N)c2NC(=O)CCCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c(C)c1 1870155521 QWNCALKYPNHTDT-UHFFFAOYSA-N 489.448 2.379 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)COc2cn(Cc3ccncc3)c(CN(C)C)cc2=O)nc1C 1870323070 GKYPTFLGXMBOGX-UHFFFAOYSA-N 497.577 2.478 30 10 JEEE Cc1nnc(SCC(=O)NC2CCCC2)n(/N=C/c2cn(CC(=O)O)c3ccccc23)c1=O 1873495520 UXRAJVFGPAACGP-AUEPDCJTSA-N 468.539 2.019 30 10 JEEE COC(=O)CSc1nnc([C@H]2CC(=O)N(Cc3ccccc3)C2)n1/N=C/c1cccnc1 1874210763 CAPSLFFTVCWLCH-AMAFCZHPSA-N 450.524 2.337 30 10 JEEE COC(=O)c1ccc(CSc2nnc(CNC(C)=O)n2/N=C/c2ccc([N+](=O)[O-])cc2)o1 1874433504 OEQYYYZWQVGJOU-ZVBGSRNCSA-N 458.456 2.377 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](O)C[C@H]1C(=O)NCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2180960978 NYQYKPHJEJCNDW-OALUTQOASA-N 460.380 2.362 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H](CO)NC(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1Cl 2247802266 OSIVMHUUCOQJQH-NSHDSACASA-N 460.789 2.316 30 10 JEEE Cc1c(C(=O)N[C@@H]2CC[C@@H]2NC(=O)OCc2ccccc2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2255528779 FBCXKQZLKDZMOP-MSOLQXFVSA-N 468.363 2.215 30 10 JEEE CC(C)(C)OC(=O)N1CC([S@](C)(=O)=NC(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)C1 2255543505 JZYWUXZIBOVIHT-HKBQPEDESA-N 454.354 2.436 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H](C)CNC(=O)OC(C)(C)C 2255745147 OGMLTPPUKQFPMX-HNNXBMFYSA-N 454.398 2.486 30 10 JEEE CON(C1CN(C(=O)OC(C)(C)C)C1)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2255951966 MYUDNRQECXKMFC-UHFFFAOYSA-N 474.410 2.219 30 10 JEEE CC[C@H](CN(C)C(=O)c1c(C)nn(C)c1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2267150746 GGNFBKFAKQHFJA-OAHLLOKOSA-N 450.389 2.403 30 10 JEEE CC(C)(C)OC(=O)N=S1(=O)CC2(CN(C(=O)c3sncc3B3OC(C)(C)C(C)(C)O3)C2)C1 2267165388 DXNLEQYGWYEGOM-UHFFFAOYSA-N 483.421 2.301 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](CNC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)CO1 2267489176 VJXRUQNDSTUJNW-KGLIPLIRSA-N 467.397 2.102 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCc2cnc(NC(=O)OC(C)(C)C)s2)n1 2267493272 HHCYAFKWWZVPMQ-UHFFFAOYSA-N 463.369 2.453 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](NC(=O)c3csc(B4OC(C)(C)C(C)(C)O4)c3)CO[C@H]2C1 2267554150 WSDFMVQWHCXUAF-JYJNAYRXSA-N 464.393 2.411 30 10 JEEE CC(C)(C)OC(=O)N1CC2(COC[C@H](CNCc3occc3B3OC(C)(C)C(C)(C)O3)O2)C1 2279208879 XYBPIVSJBLPNJX-INIZCTEOSA-N 464.368 2.073 30 10 JEEE CC(C)(C)OC(=O)N1CCN(CCCNC(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)CC1 2281831841 ZMDCSVFMTNXGOC-UHFFFAOYSA-N 463.384 2.251 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H]2CCN(C(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)C[C@@H]2C1 2281925684 ZJMCDWVQSNGQJV-HZPDHXFCSA-N 460.384 2.428 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@H]([S@@](C)(=O)=NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2281984541 DAPBJGJRPVKPEF-RPLXOIEJSA-N 482.412 2.346 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](NC(=O)c3ncc(B4OC(C)(C)C(C)(C)O4)cn3)[C@H]2C1 2282031847 YMAQEKLZSXGBKB-XIRDDKMYSA-N 458.368 2.151 30 10 JEEE Cn1cc(C(=O)NC2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)nc1B1OC(C)(C)C(C)(C)O1 2282036616 LIFAMGRCXRMJQR-HUUCEWRRSA-N 460.384 2.095 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 2282043899 QMAOVGXHURIYLK-IRFCIJBXSA-N 450.392 2.360 30 10 JEEE CCO[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)[C@H]1NC(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2282177644 AFTBIVBBWZTQCA-JFIYKMOQSA-N 461.368 2.181 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C2(CCC2)C1 2282192249 UWJWWXGWJDPPGA-OAHLLOKOSA-N 458.368 2.438 30 10 JEEE C[C@H]1CN(S(=O)(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)CC[C@@H]1NC(=O)C(F)(F)F 2282345065 NQQNYBVNOQVDPQ-BBRMVZONSA-N 476.326 2.063 30 10 JEEE Cc1nc(S(=O)(=O)N(Cc2ccccc2)Cc2cc[nH]n2)c(B2OC(C)(C)C(C)(C)O2)n1C 2282509127 GUEFNBNWQJVZFD-UHFFFAOYSA-N 471.392 2.142 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CC[C@H]3CC[C@H]2N3C(=O)OC(C)(C)C)n1 2282537968 YRMMIZQNIZOVKW-BHYGNILZSA-N 460.384 2.380 30 10 JEEE Cn1cc(C(=O)Nc2nc(CCNC(=O)OC(C)(C)C)cs2)nc1B1OC(C)(C)C(C)(C)O1 2282547380 QHUMPIWJGXKFNU-UHFFFAOYSA-N 477.396 2.495 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H](NC(=O)OC(C)(C)C)C1CCC1 2282582213 TVBRKEGUQREYQJ-INIZCTEOSA-N 462.400 2.451 30 10 JEEE Cc1ccc(C(=O)N[C@]2(CO)CCN(C(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2282690523 XGEAHPVXYREOQS-XMMPIXPASA-N 460.380 2.396 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@H]1CNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282832426 OVLJFRJDXISWET-OFQRWUPVSA-N 499.464 2.117 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]1CNS(=O)(=O)c1c(F)cc(F)cc1B1OC(C)(C)C(C)(C)O1 2282872061 PQHCBOQNUMRUJN-WBMJQRKESA-N 488.362 2.456 30 10 JEEE CO[C@@]1(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)CCN(C(=O)OC(C)(C)C)C1 2283960344 XARPOYBDXDJTPF-QFIPXVFZSA-N 465.331 2.484 30 10 JEEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)C(=O)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 2284047904 KPNNXFWGPKNJMC-XMMPIXPASA-N 460.380 2.316 30 10 JEEE CC(C)(C)OC(=O)N[C@H](C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1)[C@@H](O)C(F)(F)F 2284059273 FRVAMHJOIROCEB-UONOGXRCSA-N 475.273 2.136 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)OCC12CC2 2284133472 RBSWYVNBPYEJNW-INIZCTEOSA-N 459.352 2.488 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)NC[C@H]1CN(Cc2ccccc2)CCO1 2285206050 UBRPVMVLCQMWRX-NRFANRHFSA-N 451.376 2.320 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)NC[C@@H]1COCCN1Cc1ccccc1 2285208232 IFXADWGSMMTJNV-OAQYLSRUSA-N 451.376 2.320 30 10 JEEE CCn1cc(C(=O)N2C[C@H]3C[C@]3(CNC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2288264098 YOQLYVGFMHRSOH-CMJOXMDJSA-N 460.384 2.189 30 10 JEEE CNC(=O)[C@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@H]1C1CCN(S(C)(=O)=O)CC1 2297650783 SIXLDDAHBUUIQG-IRXDYDNUSA-N 458.506 2.047 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CS(C)(=O)=O)C(=O)N1CCC(B2OC(C)(C)C(C)(C)O2)CC1 2313948267 NUEQCQLOHBQJAZ-HNNXBMFYSA-N 460.402 2.009 30 10 JEEE CCCOC(=O)CSc1nnc(CC)n1N=Cc1ccc(OCCN2CCOCC2)c(OC)c1 2321061652 UKNBKCOQPAIMNL-UHFFFAOYSA-N 491.614 2.488 30 10 JEEE COc1ccc(C=Nn2c(SCC(N)=O)nnc2[C@H]2CC(=O)N(Cc3ccccc3)C2)c(OC)c1 2325917274 XFFMWXXPVGJKRB-SFHVURJKSA-N 494.577 2.271 30 10 JEEE C[C@H](CCCN(C)C(=O)OC(C)(C)C)NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2337191753 CTPATYMLYLWMOL-OAHLLOKOSA-N 450.389 2.485 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)OC(C)(C)C 2359277830 YAOCODDPELBFIB-UXLLHSPISA-N 460.384 2.237 30 10 JEEE C[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)N(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)C1 2362353142 VICIACBNCIFDSU-HZPDHXFCSA-N 462.400 2.485 30 10 JEEE COc1nc(O[C@@]2(C(=O)O)CCN(C(=O)OC(C)(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2365373015 FUQLVKZMQHVHSN-QFIPXVFZSA-N 464.324 2.232 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)NC3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)cc2C1=O 11553262 BJXFOXXYIIOAPN-UHFFFAOYSA-N 467.547 2.360 30 10 JEEE COc1ccc(Cl)cc1/C(O)=C1/C(=O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccncc1 102755761 XROTVPXVYDFALH-LCPUNJGISA-N 457.914 2.498 30 10 JEEE N#Cc1ccc(O[C@H]2CC[C@H](NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)nc1 238821499 CTGOWAKZXNKKJL-MXVIHJGJSA-N 470.551 2.094 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(C(=O)CCc4ccc(OC)cc4)CC3)cc2C1=O 519977405 LMGJFVKFJVSDFX-UHFFFAOYSA-N 461.518 2.394 30 10 JEEE C=CCn1c(-c2ccncc2)nn(CN2CCC(CC(=O)N3CCN(C)CC3)CC2)c1=S 731355642 DSJHJVDMMNHLRO-UHFFFAOYSA-N 455.632 2.496 30 10 JEEE CCOc1cc(C=NNc2nnc(SCC(=O)Nc3ccc(OC)cc3OC)n2N)ccc1O 1083981454 NCMUSWDNGJAEJX-UHFFFAOYSA-N 487.542 2.290 30 10 JEEE Cc1ccc(NC(=O)CSc2nnc(NN=Cc3cc([N+](=O)[O-])ccc3O)n2N)c(C)c1 1084075127 VCCNPTMQCZNOSG-UHFFFAOYSA-N 456.488 2.399 30 10 JEEE O=C(CSc1n[nH]c(NN=Cc2ccc(OCc3ccc(F)cc3)o2)n1)Nc1nc[nH]n1 1084300231 NMTXFYGPSKWGBE-UHFFFAOYSA-N 457.451 2.411 30 10 JEEE COc1cccc(C=NNc2nnc(SCC(=O)Nc3ccc(C(C)=O)cc3)n2N)c1O 1084537521 COUZTORJTBNXKP-UHFFFAOYSA-N 455.500 2.086 30 10 JEEE C#CCN1CCC(NC(=O)[C@H](CCSC)NS(=O)(=O)c2ccc3ccccc3c2)CC1 1155873495 OKYYUQRQNZLCTJ-QFIPXVFZSA-N 459.637 2.454 30 10 JEEE C=C(C)CONC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(F)(F)F 1196996203 ZUYYBLXXPLPAAK-UHFFFAOYSA-N 453.439 2.278 30 10 JEEE C[C@H](CNC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)c1ccc(S(C)(=O)=O)cc1 1233850225 APZHORWJDNBHOK-UWWQBHOKSA-N 450.561 2.252 30 10 JEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 1286324294 OGZPIUPRCMTZDJ-FQEVSTJZSA-N 461.632 2.355 30 10 JEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 1286325555 YZLDPELWPJFUMV-AZUAARDMSA-N 463.648 2.361 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CCc1cccs1)[C@H]1CCS(=O)(=O)C1 1286384535 RIQGJEIUJHQXMP-AVRDEDQJSA-N 478.640 2.250 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1ccc(F)c(COC)c1)[C@H]1CCS(=O)(=O)C1 1286387698 UISMOPIEKGQHJW-IBGZPJMESA-N 469.542 2.301 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1Cc1csc(COC)n1)[C@H]1CCS(=O)(=O)C1 1286388185 LRUVWZXGXRJNDX-IBGZPJMESA-N 482.591 2.095 30 10 JEEE C#CCN(c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(C)(C)CC)[C@H]1CCS(=O)(=O)C1 1286389294 HRZBASZWWYJRNC-KRWDZBQOSA-N 482.610 2.255 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H]2N(C)CCCC2(C)C)CC1 1286486079 HNJKSTYPJLPRHM-OAQYLSRUSA-N 485.677 2.283 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OC)n2C[C@]2(C)CCCO2)CC1 1286494039 YUWSZVFWBGCREY-VWLOTQADSA-N 467.570 2.401 30 10 JEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)CCC2CCCC2)CC1 1286495442 VTRYYBMVMZWXKT-UHFFFAOYSA-N 472.659 2.500 30 10 JEEE C=C(Cl)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1286619353 ADMWAIMVOADINH-INIZCTEOSA-N 492.367 2.087 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[C@@](C)(O)c2ccccc2)CC1 1286646900 XGCLICBVWJRIOJ-NFBKMPQASA-N 475.615 2.065 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H]3CCCOC3)nnc2N2CCCN(S(C)(=O)=O)CC2)cc1 1286797247 SPQGMSVPAXXCGT-HXUWFJFHSA-N 475.615 2.257 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@H]2CCCOC2)C1 1286805956 VUKCFVVYRIQTCC-ICSRJNTNSA-N 475.615 2.403 30 10 JEEE C[C@H]1CN(CCCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCO[C@@H](C#N)C2)CCCO1 1291293977 CKNLTSFZJOPPKJ-UWHLTILDSA-N 460.623 2.426 30 10 JEEE CCC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ncccc2C(N)=O)CC1)OC 1293961564 BIASOIULNOUUDM-HXUWFJFHSA-N 474.569 2.452 30 10 JEEE CCn1cnnc1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(CC(F)(F)F)CC1 1295968179 AKVQYAFLGHBXJO-UHFFFAOYSA-N 489.506 2.463 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(C2CC2)C2CN(C(=O)OC(C)(C)C)C2)s1 1300054698 BLKLVZMGIRKXCZ-UHFFFAOYSA-N 455.602 2.365 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCOC[C@H]2C)c1 1300330524 BWGVUFQIEWWTSJ-MJGOQNOKSA-N 452.559 2.145 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCOC(C)(C)C)c1 1300334507 NTJBSUBRNRAZOB-GOSISDBHSA-N 473.599 2.052 30 10 JEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1Cc1cnn(CC)c1)[C@H]1CCS(=O)(=O)C1 1300484434 RZAZDDHPEFJFIO-IBGZPJMESA-N 458.975 2.490 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1ccc(NC(=O)N(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 1300488567 SRGQZXGNMQWBHB-LJQANCHMSA-N 481.582 2.042 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCO[C@@H]1C(=C)C)[C@H]1CCS(=O)(=O)C1 1300489934 WFMNZAIVHYFMNW-FDFHNCONSA-N 465.579 2.425 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1C[C@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1300505448 AFEQSZATOHPXQU-SESVDKBCSA-N 498.628 2.294 30 10 JEEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1([S@@](C)=O)CCC1 1300578196 JBJWFASNHSACIN-MGBGTMOVSA-N 465.627 2.216 30 10 JEEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)Cc1ccccc1C 1300761293 AUCSLLXLIPKVEJ-HXUWFJFHSA-N 477.656 2.312 30 10 JEEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2ccc(O)cc2C1 1300829868 BPJYESKIFVGQRH-GFCCVEGCSA-N 456.366 2.065 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cccc(CN(C)CC)c2)CC1 1301087233 YHMWMPYAFMKBAX-JOCHJYFZSA-N 488.658 2.267 30 10 JEEE C=C1CCN(c2nnc(CCN3CCN(c4ccccc4)CC3)n2CC(=O)NC(C)C)CC1 1301088630 COAQXBDRGVHHGY-UHFFFAOYSA-N 451.619 2.324 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(CCOC(C)C)CC1 1301520454 HGDYHFQKEOGDOP-TZIWHRDSSA-N 462.639 2.046 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN(c2cc(F)cc(F)c2)CC1 1301587845 YIODQLNYYSVZMC-UHFFFAOYSA-N 451.543 2.436 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N(C)Cc1ccc(N2CCOCC2)cc1 1301588301 FPGFDNMVKRJCGQ-OAQYLSRUSA-N 489.642 2.246 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N(C)Cc1ccccc1N1CCOCC1 1301588906 LNEUNZFHKBYFBN-NRFANRHFSA-N 489.642 2.246 30 10 JEEE Cc1ccc(NC(=O)c2nnc(N3CC[C@](F)(C#N)C3)n2CCN2CCOC[C@H]2C)cc1C 1304378594 DIHQFRNNOPFTST-JPYJTQIMSA-N 455.538 2.310 30 10 JEEE C[C@H]1C[C@H](CCn2c(-c3ccc(C#N)cc3)nnc2N2CCN(S(C)(=O)=O)CC2)CCO1 1304930130 HVYPXMRIDYZEAE-ZWKOTPCHSA-N 458.588 2.104 30 10 JEEE CCc1nsc(N2CCN(c3nnc(-c4ccc(C#N)cc4)n3CCCC(=O)N(C)C)CC2)n1 1306239754 DCJKVPBCNYHJPG-UHFFFAOYSA-N 479.614 2.426 30 10 JEEE C#CCCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1358907429 OWIRKXORSKTYDR-OAHLLOKOSA-N 461.353 2.202 30 10 JEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1358923000 ZDBBWDVELSWALN-KRWDZBQOSA-N 483.598 2.337 30 10 JEEE C#CCN(c1nnc(COCC)n1CCc1nc(C(C)(C)C)cs1)[C@H]1CCS(=O)(=O)C1 1358967455 KTQUSHXZCQGSFE-INIZCTEOSA-N 465.645 2.438 30 10 JEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CCC(=O)Nc1ccccc1 1359023794 WRTMUTFKUCAWNT-UHFFFAOYSA-N 450.499 2.121 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H](C)c2c(C)noc2C)CC1 1359029812 ICTRLZKWWHPIBM-KOSHJBKYSA-N 456.591 2.482 30 10 JEEE C#CCN1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCCN(C)CC(F)(F)F)CC1 1359034434 QNUVMEQNURUCOW-UHFFFAOYSA-N 488.518 2.233 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H]2CCCO2)CC1 1359040323 PGGFQIMKGHOYQC-HXUWFJFHSA-N 484.988 2.006 30 10 JEEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 1359221684 KMFKHTKDNFIYJM-UHFFFAOYSA-N 468.606 2.347 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@]1(O)CCN(C)C1 1359259881 LHUYSTTVDXKNLR-DNQXCXABSA-N 459.566 2.329 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@](C)(O)C2CC2)C1 1359314889 JNXFUXUXWUEHDE-XXBNENTESA-N 475.615 2.138 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)Cc1cnccn1 1359330879 GEFFTKOUYZUMPY-UHFFFAOYSA-N 464.555 2.158 30 10 JEEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1359336706 ZHBXHGMCSJAOHW-UHFFFAOYSA-N 461.592 2.031 30 10 JEEE CC(C)(C)OC(=O)N1CCC(c2nnc(N3CCO[C@@H](C#N)C3)n2CCN2CCSCC2)CC1 1359554949 BWFCMPUMAYUABH-IBGZPJMESA-N 491.662 2.170 30 10 JEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1ccc2c(c1)CC(=O)N2C 1472355375 IBXUPAOPSUBOQU-SFHVURJKSA-N 454.552 2.119 30 10 JEEE CCOc1ccc(C#N)cc1NC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 1476032484 GHKQUFRIUSREMB-SFHVURJKSA-N 451.531 2.374 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)C)n2CC2CCS(=O)(=O)CC2)c1 1507550034 DOSZHRJASSHWBI-UHFFFAOYSA-N 457.600 2.358 30 10 JEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nc(C)c(C)s2)CC1 1507563777 IWNPAHCJDRYGJG-GOSISDBHSA-N 462.645 2.384 30 10 JEEE C#CCN(c1nnc(-c2c[nH]c3ccccc23)n1CCC(=O)NC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1507630685 FMLSTDOVIBYHIU-QGZVFWFLSA-N 482.610 2.358 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccccc2F)CC1 1507736419 OOGOFQLCDOYGRJ-DEOSSOPVSA-N 455.534 2.083 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)Oc2ccccc2)CC1 1507884941 ODDDVQYGPJPCJM-ICSRJNTNSA-N 461.588 2.235 30 10 JEEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCNS(=O)(=O)c1ccc(C)s1 1507978695 REKAWLDRWXMXIP-UHFFFAOYSA-N 499.622 2.163 30 10 JEEE C=CCOc1ccc(Cn2c(-c3cccn3C)nnc2N2CCN(CC(=O)NCC)CC2)cc1 1508100921 RFYLRWJGULJZDW-UHFFFAOYSA-N 463.586 2.155 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cc(C(C)(C)C)no2)C1 1508111513 ZFSVERGNUZHPFH-LSDHHAIUSA-N 452.581 2.003 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1C[C@@H](C)O[C@H](CC)C1 1508141288 USEFCMXVIXRTGG-HZPDHXFCSA-N 472.571 2.198 30 10 JEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(O)(c2ccccc2Cl)CC1 1539093611 AWGRECJJQVUPPB-MRXNPFEDSA-N 466.007 2.443 30 10 JEEE C#CCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1539093966 INHIXHGNMGRWCL-APWZRJJASA-N 454.506 2.443 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccccc1OCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1539222216 UPSLXBYAKIZKDF-QZTJIDSGSA-N 498.527 2.398 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCSC1 1539392320 OSGHBZDZUZCWRS-AZUAARDMSA-N 493.630 2.143 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2CCc2nnc(C)s2)CC1 1539462314 SNGSSBUBFYXAAC-UHFFFAOYSA-N 453.572 2.024 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 1539751228 IRKWUBBRXGSGDQ-HXUWFJFHSA-N 475.615 2.276 30 10 JEEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1540870431 NCNPKWLMPMXJRY-PMSBKCLSSA-N 488.633 2.292 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCCC1CCCC1 1541941305 IELFHGXZEFFUIN-GOSISDBHSA-N 486.646 2.452 30 10 JEEE N#Cc1ccc(N2CCC3(CC2)CN(C(=O)c2cnccn2)C[C@@H]3C(N)=O)cc1C(F)(F)F 1548375589 RQBHGGAPSIPCHF-QGZVFWFLSA-N 458.444 2.211 30 10 JEEE COCCOCC(=O)N1C[C@H](C(=O)N(C)C)C2(CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)C1 1548376712 FYZYCJOBXZLRRN-HXUWFJFHSA-N 496.530 2.373 30 10 JEEE COc1ccccc1Cc1nnc(N2CCC[C@@](C)(C#N)C2)n1CCC(=O)N1CCOCC1 1555073175 CWICKMHXZDLMCN-DEOSSOPVSA-N 452.559 2.256 30 10 JEEE C=CCN1C(=O)C(=O)N(CC(=O)NC2(c3noc(CC4CCCC4)n3)CCCCCC2)C1=O 1584266768 KEPBZDROADJIGT-UHFFFAOYSA-N 457.531 2.445 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1C[C@@H](c1ccccc1)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1588058942 FXUYPZMBEBOZEI-PKTZIBPZSA-N 485.654 2.177 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(Cl)c(OCC)c(OC)c1 1588139536 OOZGJIVIKRFXOX-QGZVFWFLSA-N 476.986 2.362 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCc1cccc(C(N)=O)c1 1588214518 VJILASRYNAGUKN-UHFFFAOYSA-N 489.605 2.043 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@]1(N(C)C)CCSC1 1588219098 KVOOWEOSSYHKKK-XMMPIXPASA-N 461.595 2.494 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(N(C)C)CCOCC1 1588550786 XVLJHPFWIWLYSX-FQEVSTJZSA-N 489.617 2.070 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2Cc2ccc(N3CCOCC3)nc2)CC1 1588884504 COPYBNNXAFUYBO-LJQANCHMSA-N 465.602 2.037 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCCCN2CCC)CC1 1588884789 NGHXPUVTKCCYMB-OAQYLSRUSA-N 492.628 2.156 30 10 JEEE C#CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1589070129 QWBXWZNHRSCBOM-SFHVURJKSA-N 484.630 2.095 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccc2OC)nnc1N1CCCN(S(C)(=O)=O)CC1 1589557794 IWZJDDAQRAEREE-OFNKIYASSA-N 489.642 2.330 30 10 JEEE C=C(Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1)c1ccccc1 1593796239 LWGDXPHKZUIUOE-RTBURBONSA-N 481.578 2.343 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C[C@@H]2CCOC2)C1 1593884238 GFRANYGBAJQPTI-SQNIBIBYSA-N 474.027 2.007 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[C@H](C)N2CCCCC2)CC1 1594241602 VXPXJNYHTXLVNB-PZJWPPBQSA-N 480.679 2.278 30 10 JEEE C=CCCOCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1594784442 ZTUAGQPZMKHWEN-UYAOXDASSA-N 452.559 2.455 30 10 JEEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H](C(C)C)N1CCOCC1 1594943647 VMUDWVYCYIIJIL-HXUWFJFHSA-N 451.575 2.171 30 10 JEEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1595870984 BQIVYRHEDNOQBH-UHFFFAOYSA-N 451.556 2.322 30 10 JEEE C=CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCS(=O)CC1 1595884338 KROAEBVECDUFCF-INIZCTEOSA-N 471.649 2.074 30 10 JEEE CC(C)OCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1611108987 DYFWQRDKAFARAF-NRFANRHFSA-N 486.642 2.189 30 10 JEEE CNC(=O)CCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCN(C(C)C)C1 1618778847 FDECISODOBNUNG-HXUWFJFHSA-N 453.591 2.421 30 10 JEEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](c2ccc(C)cc2)[C@H](C)S(C)(=O)=O)cc1 1634241690 IKUTYZZBOCZTOI-OXJNMPFZSA-N 450.582 2.364 30 10 JEEE C#CCOc1cc(F)ccc1NC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 1667562840 CDUQFJGXWXQRHX-SFHVURJKSA-N 454.506 2.255 30 10 JEEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)Nc2ccccc2CC)CC1 1689888946 VGQVKCONXZDFLH-QFIPXVFZSA-N 477.613 2.356 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@H]1CCC(=O)N1)[C@@H]1CCS(=O)(=O)C1 1689983438 BOIBMWDIJHQQIM-HUUCEWRRSA-N 482.393 2.157 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1CCN(C)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1689993320 AVHQVSVIMARUHK-SFHVURJKSA-N 493.655 2.424 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1CC1(N2CCSCC2)CCCC1 1690029600 DWAABKDTXXNQAH-SFTDATJTSA-N 457.644 2.437 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccccc2Br)CC1 1690113640 PMYFNRRPPCJDNS-JOCHJYFZSA-N 474.403 2.496 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2C[C@@](C)(O)C(C)C)CC1 1690139890 DIVDATHPDSNUEG-XMMPIXPASA-N 453.543 2.047 30 10 JEEE C#CCSCCn1c(COc2cccc(C)c2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1690183314 TVZRKWUWWRHAMO-NRFANRHFSA-N 469.611 2.360 30 10 JEEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 1690275183 XTALVFHZBXYLDH-WMLDXEAASA-N 465.555 2.004 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1690432915 OGKFXJPDPJCPCU-RBUKOAKNSA-N 462.620 2.193 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCN(c2ccccc2F)C1 1690622328 MYFLXYRRVAJAQT-RTBURBONSA-N 477.606 2.485 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1690660243 BXNVAMMTONGREF-IRXDYDNUSA-N 498.563 2.434 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1690665865 RTTPIPDMHDLZCJ-OAHLLOKOSA-N 452.481 2.329 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCc2cc(OC)c(OC)cc2C1 1690723976 FLYVWOQDPAASML-SFHVURJKSA-N 476.599 2.353 30 10 JEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@@H](C)c2nccs2)CC1 1690747079 SDRNCMPUQSAIQN-DLBZAZTESA-N 482.701 2.439 30 10 JEEE CCN(CC)CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2([S@](C)=O)CCC2)CC1 1695643801 DEOLYBFWEOAKIS-DHUJRADRSA-N 497.669 2.108 30 10 JEEE COC(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C(C)C)N2CCOCC2)C1 1697044470 CZVPICWSVXYZJB-RTWAWAEBSA-N 452.559 2.173 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccc(OCC=C)cc1)[C@@H]1CCS(=O)(=O)C1 1705564881 DXYSQMYGCVDWQZ-VQTJNVASSA-N 456.568 2.022 30 10 JEEE C#CCN(c1nnc(COc2ccccc2OC)n1Cc1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1705568491 ONYMLWGPWJKNLY-GOSISDBHSA-N 485.566 2.146 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1CCNC(=O)c1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1705571352 YWEUIMLDERLUFV-NRFANRHFSA-N 497.646 2.296 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)N1CCN(CC)CC1 1705612614 KOGAPNLHGKPADJ-RTWAWAEBSA-N 489.665 2.072 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2c(C)nn(C)c2C)CC1 1705646820 PGKKZTPUMKYFNJ-UHFFFAOYSA-N 456.554 2.181 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1705668944 XLMIPVNKCFXLNE-NPFVIJTESA-N 462.547 2.099 30 10 JEEE C=C(Br)Cn1c(-c2ccccc2OC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1705683586 MGOBSERIGWOVNM-HNNXBMFYSA-N 475.347 2.335 30 10 JEEE C=CC[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H]1CCOC1)c1ccccc1 1705796963 NUOAFMHWBSXCEC-CEMLEFRQSA-N 489.642 2.444 30 10 JEEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2C#N)CC1 1705800075 NPQAWDVBMHBMLL-GOSISDBHSA-N 457.604 2.443 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)n(C)c1=O 1705866011 DYMKXGWJYULHQD-GOSISDBHSA-N 473.624 2.490 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1705898137 BQXGDHJQAAQCSV-MRXNPFEDSA-N 460.966 2.214 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1705937503 WHTGMLSLDMASLZ-SJORKVTESA-N 451.618 2.097 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](c1ccco1)N(C)C)[C@H]1CCS(=O)(=O)C1 1722359013 HWTBGVQOXCWCIW-SFTDATJTSA-N 478.578 2.339 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccccc1OC(F)F)[C@H]1CCS(=O)(=O)C1 1722365200 CUPWZRNVKDPGEV-IRXDYDNUSA-N 466.510 2.058 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1ccccc1COCC)[C@H]1CCS(=O)(=O)C1 1722365552 FNCWOMWKISYFOB-YADHBBJMSA-N 472.611 2.384 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1Cc1nnc(CC)s1)[C@H]1CCS(=O)(=O)C1 1722372525 YKUUOTUGCIEOEY-SFHVURJKSA-N 470.624 2.152 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(F)ccc2Br)n1CC(=O)NCC(F)F 1722374677 AMDVJCYWQOUMIE-UHFFFAOYSA-N 454.250 2.301 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc3ccccc3n2)n1CCS(=O)(=O)N1CCSCC1 1722392100 GSLNHYKLZXNXRQ-UHFFFAOYSA-N 494.646 2.335 30 10 JEEE C#CCN1CCN(c2nnc(CCCc3ccccc3)n2CCN2CCOCC2(C)C)CC1 1722440119 CORIFLKLFORLLP-UHFFFAOYSA-N 450.631 2.319 30 10 JEEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1722456510 VRDNSEMMZIQLMM-DEOSSOPVSA-N 493.681 2.414 30 10 JEEE C#CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1722460498 HXJFWLBEZVWWOD-UHFFFAOYSA-N 465.620 2.140 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN1CCN(C)C(C)(C)C1 1722469796 LTQWLUUTILBKCH-RUZDIDTESA-N 484.670 2.367 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccccc2OC)nnc1N1CCS(=O)(=O)CC1 1722500753 MVNGRTQQBZYZDL-LAUBAEHRSA-N 462.572 2.082 30 10 JEEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCSC[C@@H]2C)cc1 1722703302 YWJCXPCHRPZWPW-HOTGVXAUSA-N 451.618 2.443 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)Cc2cccs2)C1 1722718784 MYBRTFXSTMJIIB-QWFCFKBJSA-N 495.671 2.333 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1722724143 OMZILPMHCJMKIN-YTQUADARSA-N 491.589 2.405 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1722727683 KIZMBVCWOHDDKL-HXUWFJFHSA-N 479.647 2.002 30 10 JEEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 1722733085 WVAMVJHWSBJIPU-HZPDHXFCSA-N 488.680 2.253 30 10 JEEE CC1CCN([C@@H](C)Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCO[C@H](C#N)C2)CC1 1726590257 IDFIOLOAWVBZMZ-AZUAARDMSA-N 472.615 2.198 30 10 JEEE CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCC(=O)N1CCCCC1 1729185954 COFKCYWPTISUOK-SFHVURJKSA-N 472.615 2.479 30 10 JEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CCC(=O)NCCC)[C@H]1CCS(=O)(=O)C1 1740618025 AWLYRMVKNQTFCE-SFHVURJKSA-N 463.991 2.142 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@H](C)N(C)C1CC1)[C@@H]1CCS(=O)(=O)C1 1740627906 LCVUYDTWXUTJIC-PZJWPPBQSA-N 471.627 2.275 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@]1(N(C)C)CCSC1 1740685305 DUVFJTPKXBWOFE-NFBKMPQASA-N 457.600 2.314 30 10 JEEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2CCNS(=O)(=O)c2ccc(C)s2)CC1 1740698910 PLJCFVUAEDGNPL-UHFFFAOYSA-N 498.678 2.167 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCCNC(=O)OC(C)(C)C)CC1 1740706363 SNIPAZAXTQISDK-IBGZPJMESA-N 474.606 2.400 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCCNS(=O)(=O)CC 1740724247 ZTJYZYSZPUCQSR-JOCHJYFZSA-N 493.033 2.183 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(C)o1 1740760063 GLAMKZBQHJPNJR-IHPCNDPISA-N 479.603 2.130 30 10 JEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(OC(F)F)cc1 1740947213 SJLMQXMLEOFCIZ-MRXNPFEDSA-N 457.503 2.035 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@]2(O)CCSC2)C1 1740979901 GTWICORYMFVIQX-PNCHPQGNSA-N 495.646 2.236 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(Cl)cc2)C1 1740981017 NKRSHBFCOHHDRZ-OALUTQOASA-N 482.006 2.094 30 10 JEEE C=CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCCN(CC)C(=O)C1 1741003126 OZOBGQMVXXAYMY-UHFFFAOYSA-N 470.647 2.430 30 10 JEEE CC(=O)N1CCN([C@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CC(F)(F)F)C[C@@H]2C)CC1 1741057447 AIXFVXQUYNODQN-KXBFYZLASA-N 461.492 2.368 30 10 JEEE CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCCO2)CC1 1743906139 HNARMCNFSRNZMG-UGKGYDQZSA-N 465.602 2.423 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1Cc1ccc([C@H](C)O)cc1)[C@@H]1CCS(=O)(=O)C1 1748811204 DBMSJULBDVYRTI-FXAWDEMLSA-N 453.568 2.012 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCOC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1748944898 IPNWVFKOZSLMQX-UXHICEINSA-N 475.590 2.233 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2CC(C)(C)NC(=O)OC(C)(C)C)CC1 1748977104 CUMYMRAVPJCUAL-GOSISDBHSA-N 464.611 2.061 30 10 JEEE C#CCSCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1749043030 CITDYPSXQGSUNP-GGAORHGYSA-N 468.671 2.216 30 10 JEEE C=C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@H]2CCCN2CCCO)CC1 1749293276 HOVRVCOCKPKENC-OAQYLSRUSA-N 488.658 2.199 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1749659234 ZGNZNZZGVOJXFO-APWZRJJASA-N 489.418 2.167 30 10 JEEE CC(C)C(=O)NCCn1c(CCc2ccccc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1750572152 ADZRHQREBRNVLA-FQEVSTJZSA-N 487.612 2.212 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(F)cc2Br)n1CC(=O)N1CCOCC1 1760105433 OXAFKQWJGJMLBJ-CYBMUJFWSA-N 450.312 2.163 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)Nc3ccccn3)n2Cc2cccnc2OC)c1 1760126504 ALQVNKULBWNSMA-UHFFFAOYSA-N 496.531 2.434 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@H]1C[C@H]2CC[C@H]1C2)[C@H]1CCS(=O)(=O)C1 1760181689 AAGBELDUJDENFM-GNBUJSLZSA-N 461.632 2.259 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cccc(-n2cncn2)c1 1760211792 MKEVXTWOASVYSJ-RUZDIDTESA-N 459.554 2.411 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC(C)(C)N2C[C@@H](C)C[C@@H](C)C2)CC1 1760257192 QRUQQXUYNGSDEV-VRUMLPLGSA-N 472.678 2.442 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCCc2cc(OC)ccc2OC)CC1 1760269956 QHJGNZIEIQDPKK-OAQYLSRUSA-N 481.597 2.398 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2ncc(F)cn2)CC1 1760313735 PPKJCKXVFSEONN-PXNSSMCTSA-N 486.596 2.433 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1760342832 NXNQOWFFQXEOFR-HXUWFJFHSA-N 474.631 2.073 30 10 JEEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(Cc2ccc(OC)cc2)C(=O)C1 1760346171 LDWJLNCDTCLGDY-IBGZPJMESA-N 473.599 2.004 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)N(C)c2ccccc2)CC1 1760389874 VYCGCOXADVHXCY-TZIWHRDSSA-N 474.631 2.292 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1760411701 QJTSPVZGMHWYAU-ICSRJNTNSA-N 471.650 2.401 30 10 JEEE C=CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CCNC(=O)c1cc[nH]n1 1760459697 BXBPHDSYIUGSQN-UHFFFAOYSA-N 460.336 2.492 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccoc1 1760501121 HOCHHXBTRYNDNU-LJQANCHMSA-N 461.544 2.080 30 10 JEEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](CNC(=O)Nc2ccc(C)cc2)C1 1760506538 DCEVANZERNKXEF-ROUUACIJSA-N 475.619 2.421 30 10 JEEE C=CCn1c(COc2ccc(Br)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1760512642 WSKMFGOCPTVHCC-AWEZNQCLSA-N 470.393 2.276 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@H]2CCC(=O)N2)C1 1760539097 KCDYUTMOVQGDIS-IAGOWNOFSA-N 457.531 2.031 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCC(O)(C(F)(F)F)CC1 1760552344 KRFIOUJBPBVOBB-UHFFFAOYSA-N 474.505 2.448 30 10 JEEE C[C@@H]1CCC[C@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1762832423 GOQQKFVADWCVAK-WWEVIYMKSA-N 486.642 2.476 30 10 JEEE CCCOc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)cc1OC 1764610284 FADYMWLVZCVFJT-HTAPYJJXSA-N 477.562 2.468 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)COc2cccc3c2C(=O)N(CCOC)C3=O)nc1C 1865809045 IGIJDNBIMMXESD-UHFFFAOYSA-N 459.480 2.054 30 10 JEEE C=CCc1ccccc1OC1CN(C(=O)[C@H](CCS(C)(=O)=O)N2C(=O)c3ccccc3C2=O)C1 1869907332 ZAEQSUJJOOPEBE-NRFANRHFSA-N 482.558 2.104 30 10 JEEE COc1cc(C=CC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)ccc1OCC#N 2040437549 XUOBIQNKNSBHJU-UHFFFAOYSA-N 457.508 2.270 30 10 JEEE COC[C@@H](ONC(=O)OC(C)(C)C)C(=O)N(C)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2124541957 YIXAQBMPOMCLJA-QGZVFWFLSA-N 450.341 2.420 30 10 JEEE Cc1nc(C)c(B2OC(C)(C)C(C)(C)O2)c(N2C[C@@H]3OCCN(Cc4ccccc4)[C@H]3C2)n1 2172782130 NBEAYXJNZBPROI-SFTDATJTSA-N 450.392 2.482 30 10 JEEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](C)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 2222513208 NQDOCXZIQZTXLI-MFEFFIJZSA-N 453.580 2.417 30 10 JEEE Cc1cnc(N2C[C@H]3[C@@H](CO)N(C(=O)OC(C)(C)C)C[C@H]3C2)c(B2OC(C)(C)C(C)(C)O2)c1 2241058282 YIVNXSHIBSCPDY-ZHALLVOQSA-N 459.396 2.353 30 10 JEEE CC(C)(C)OC(=O)NC1CC(NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2247880278 DIEIBACVCSWJIO-UHFFFAOYSA-N 458.411 2.381 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CN(S(=O)(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)s3)C[C@@H]21 2255751843 FADIPUDCDYBSOR-YWVIFJGQSA-N 470.422 2.191 30 10 JEEE C=C(CS(=O)(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1COC)B1OC(C)(C)C(C)(C)O1 2255795872 YUWYAKYEZQWLEF-INIZCTEOSA-N 460.402 2.072 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@@H](CC(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2256628362 HIXXNWXRYBGZEP-ZDUSSCGKSA-N 452.386 2.235 30 10 JEEE COC(=O)[C@@H](CCNc1nccc(B2OC(C)(C)C(C)(C)O2)c1F)NC(=O)OC(C)(C)C 2266051255 JINFXYSZNDPKHW-CQSZACIVSA-N 453.320 2.388 30 10 JEEE CCO[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)[C@H]1NC(=O)c1ccoc1B1OC(C)(C)C(C)(C)O1 2267555913 SYCVMXGCARCBJI-BZUAXINKSA-N 450.341 2.379 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ccc(F)cc2B2OC(C)(C)C(C)(C)O2)[C@@H](O)C1 2281786737 HQXTZESUBFMMKA-ROUUACIJSA-N 464.343 2.225 30 10 JEEE Cc1c(C(=O)N[C@H](CNC(=O)OC(C)(C)C)C(F)(F)F)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281989874 GGFXKTFKNXKBLU-GFCCVEGCSA-N 476.305 2.213 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](CO)[C@@H](NC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)CC1 2282014006 NFEXLVBMEKZBNY-ZBFHGGJFSA-N 481.424 2.180 30 10 JEEE C[C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282035056 PUAXGKPFQPRXKM-CVEARBPZSA-N 462.400 2.485 30 10 JEEE Cc1c(C(=O)N[C@]23CC[C@H]2CN(C(=O)OC(C)(C)C)C3)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282058994 CDKXUSAXBZTFBM-WNSKOXEYSA-N 460.384 2.157 30 10 JEEE COC[C@]1(NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)CCN(C(=O)OC(C)(C)C)C1 2282181280 DKGZDCFEKQOISO-QHCPKHFHSA-N 461.368 2.137 30 10 JEEE CN(C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2282187760 MXWNAABJKMKIDJ-INIZCTEOSA-N 460.384 2.495 30 10 JEEE Cc1c(C(=O)N2C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@H]2C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282592572 FFZPUXNIRIBZAA-HUUCEWRRSA-N 462.400 2.498 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@]3(CCN3C(=O)OC(C)(C)C)C2)n1 2282594889 MFDKXOYFTOCXTJ-QHCPKHFHSA-N 460.384 2.428 30 10 JEEE C[C@H]1C[C@@H](NS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CCN1C(=O)OC(C)(C)C 2282864826 LIUFSGXKFDCZOP-RDJZCZTQSA-N 481.424 2.447 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1CC[C@H]2NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2283062537 OLQCQFCKCIHFBB-BZUAXINKSA-N 458.368 2.294 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C12CCC2 2283067484 DHBYRTHJGKSUJP-HUUCEWRRSA-N 458.368 2.342 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C12CC2 2283067892 HABWEAFFQPZREO-OAHLLOKOSA-N 458.368 2.295 30 10 JEEE COC(=O)CSc1nnc([C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)n1N=Cc1ccc(O)cc1O 2325881644 UVDZHGVWTYSOGL-OAHLLOKOSA-N 497.533 2.366 30 10 JEEE COCCc1nnc(SCC(=O)NCc2ccco2)n1N=Cc1cc(OC)c(OC)c(OC)c1 2331273297 AYMHMPKZOJARAE-UHFFFAOYSA-N 489.554 2.377 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2CC[C@@]1(C(=O)N=c1nc(B3OC(C)(C)C(C)(C)O3)[nH]s1)C2 2334388508 XQAXWOWJWNTHKG-OSRJUQGESA-N 464.397 2.281 30 10 JEEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@H](CCO)COCc3ccccc3)cc2)OC1(C)C 2343588495 MQHHYBKFJYCIBX-HXUWFJFHSA-N 461.389 2.232 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1C[C@@H]2[C@H]1CCN2C(=O)OC(C)(C)C 2362350903 YASVWLOJYAKPJX-HRCADAONSA-N 460.384 2.095 30 10 JEEE CCn1cc(-n2c(=C(C#N)C(=O)c3ccccc3F)sc(=Cc3cnn4ccccc34)c2=O)cn1 729672440 OSDDIWIUNSFFRT-UHFFFAOYSA-N 484.516 2.288 30 10 JEEE COc1ccc(C=NNc2nnc(SCC(=O)N[C@H](C)c3ccccc3)n2N)cc1OC 1084232430 UWKGTTLAJUPNIQ-CQSZACIVSA-N 455.544 2.425 30 10 JEEE COc1ccc(C(=O)CSc2nnc(NN=Cc3cc(OC)c(OC)c(OC)c3)n2N)cc1 1084341126 PUWGZOKFIODAAM-UHFFFAOYSA-N 472.527 2.447 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCNC(=O)[C@@H](C)CCC 1286286572 ZMACKSQLAKMYSP-DLBZAZTESA-N 459.620 2.249 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)NCCc1ccccc1 1286295771 LDJNBYYLQQMEPD-CTNGQTDRSA-N 496.612 2.403 30 10 JEEE C#CCN(c1nnc(COCC)n1C[C@@H](C)Oc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1286396504 QAEZXVVUOCYXMV-SJLPKXTDSA-N 450.536 2.048 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(Br)cc3)n2C[C@@](C)(O)CCOC)CC1 1286484274 HIQVIMPGYTUAOO-QFIPXVFZSA-N 492.418 2.162 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H]2CCOC[C@@H]2OC)CC1 1286489585 YGZZXQNVVUTRLL-OALUTQOASA-N 472.977 2.011 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H](C)N2CCOCC2)CC1 1286491456 SHEFKLFFZOEZFB-LJQANCHMSA-N 485.032 2.209 30 10 JEEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(CC)Cc1nc(O)c2ccccc2n1 1286620116 GBTNHGKHWOVLIF-ZDUSSCGKSA-N 465.967 2.316 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2ccc(S(C)(=O)=O)cc2)CC1 1286663430 LVBHKFOGKHPPDV-IBGZPJMESA-N 478.640 2.229 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCS(=O)(=O)NC 1286757331 LKNDTEYYZFXJGD-KRWDZBQOSA-N 468.624 2.120 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2ccc(F)cn2)CC1 1286784128 XHOSRNYHOUVRGT-UHFFFAOYSA-N 456.913 2.156 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1300488088 AOZDUIXDEBKYNA-GOSISDBHSA-N 463.007 2.106 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1Cc1ccc(-n2ccnc2C)c(F)c1 1300650729 WHJIXNFODKYROU-UHFFFAOYSA-N 453.522 2.184 30 10 JEEE C#CCN(CCOC)c1nnc(Cc2c(F)cccc2F)n1C[C@@H]1CCCS(=O)(=O)C1 1300673326 IJSJYACJDYAMQX-INIZCTEOSA-N 452.527 2.058 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H](C)Cc2ccc(OC)c(OC)c2)CC1 1300700756 VPJFFHUTZQHCAQ-FPOVZHCZSA-N 453.587 2.433 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(N(C)C(=O)OCC)CC1 1300843352 AFQLUUNVSUBQOT-AWEZNQCLSA-N 455.357 2.195 30 10 JEEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1301137765 XMLNWJXJOBQBES-ZWKOTPCHSA-N 481.667 2.073 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCCN(C(=O)c2cccc(Cl)c2)CC1 1301500635 OAMMLGSEVPBHSI-LJQANCHMSA-N 487.004 2.480 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC[C@H](CNC(C)=O)C2)nnc1C1(c2ccccc2)CCC1 1301519005 LLOVUQUCVYUQIN-HXUWFJFHSA-N 450.587 2.403 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC[C@H](c3nc(C)cs3)C2)nnc1[C@]1(OCC)CCOC1 1301520466 XNLSASVUWQTBEN-JTSKRJEESA-N 460.604 2.381 30 10 JEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 1358913283 KBINHGYRWQCURT-HXUWFJFHSA-N 487.601 2.014 30 10 JEEE C#CCCCn1c(N2CCC([C@@H]3NC(=O)N(C)C3=O)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1358935210 AUSKVLCHWGFSHX-OTWHNJEPSA-N 499.616 2.229 30 10 JEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](C(C)C)N1CCOCC1 1358949704 KOBFKVNQRUAIIP-UXHICEINSA-N 476.622 2.013 30 10 JEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1C[C@@H]1CCCCS1(=O)=O)[C@H]1CCS(=O)(=O)C1 1358958961 ZCLSNOBNXHFSGN-OALUTQOASA-N 497.042 2.193 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1CCc1c(F)cccc1F)[C@@H]1CCS(=O)(=O)C1 1358960295 BAAACPLYLZFXTG-MRXNPFEDSA-N 457.506 2.488 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H](C)N1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1358965088 NNZJFXNXJHPDLG-IFMALSPDSA-N 470.643 2.011 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCO[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1358967974 WULSFMRPHQNIBT-UWHLTILDSA-N 494.658 2.019 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC1CCS(=O)(=O)CC1 1358968163 ANVGZSBLUBCLOD-UHFFFAOYSA-N 453.568 2.045 30 10 JEEE C#CCN(CC)c1nnc(CCCOc2ccc(Cl)cc2C)n1C[C@]1(O)CCS(=O)(=O)C1 1359012722 WSOMJUMOJPALLX-JOCHJYFZSA-N 481.018 2.261 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCc2cccc(C(N)=O)c2)CC1 1359031100 PYQJRKCXSLLNDC-UHFFFAOYSA-N 482.386 2.133 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCC(=O)N[C@H](C)CC)CC1 1359045413 GINWXUQKQGUQJL-GCJKJVERSA-N 494.596 2.061 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(C)C)C(=O)C1 1359103108 KBNVBHJANPGKRV-NZQKXSOJSA-N 455.607 2.426 30 10 JEEE C=CCCCn1c(N2C[C@H](C)[C@@H](N3CCCN(C(C)=O)CC3)C2)nnc1[C@]1(OCC)CCOC1 1359221269 WSXDQLDNJBFBBY-XTJBDQBJSA-N 474.650 2.275 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(Cc2c(CC)nn(C)c2Cl)CC1 1359295387 ZSYLNMUHBDQRNN-UHFFFAOYSA-N 487.008 2.420 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CC(=O)N2CCOCC2)C1 1359326016 RGNLGGWPMPPOLB-NRFANRHFSA-N 455.559 2.114 30 10 JEEE C[C@H](C#N)CN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@]1(O)CCSC1 1359476543 GVFGAAXUPPYNJT-YKSBVNFPSA-N 469.659 2.107 30 10 JEEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC(Cc2noc(C)n2)CC1 1456062369 GFSSQCIUMBSLOL-GOSISDBHSA-N 459.572 2.457 30 10 JEEE Cc1nn(C)c(C)c1CN(C)c1nnc(-c2cccc(C#N)c2)n1CCS(=O)(=O)NC(C)C 1492717604 HPRBXMAXRONHNV-UHFFFAOYSA-N 470.603 2.131 30 10 JEEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCN2CCCO)CCCO1 1494477888 HTTURZHFEBZCHK-TZIWHRDSSA-N 454.575 2.191 30 10 JEEE CCO[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2CCNC(=O)c2ccc(C)c(F)c2)CCOC1 1502626812 CJJDAXNHBVJWMA-WAIKUNEKSA-N 458.538 2.404 30 10 JEEE C#CCCCCn1c(-c2cccn2C)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1507558724 KOQXIOLZAASFBN-NZQKXSOJSA-N 451.619 2.466 30 10 JEEE C#CCN(c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC(=C)Cl)[C@@H]1CCS(=O)(=O)C1 1507631693 RRGWEBNTYIFFQL-MRXNPFEDSA-N 486.985 2.054 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccccc1OCC(C)C)[C@H]1CCS(=O)(=O)C1 1507633709 UQZOVAZFBPZZLR-SFTDATJTSA-N 472.611 2.492 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(Br)c2)n1CCCS(C)(=O)=O 1507645827 MAHJMPKWDFQMCM-UHFFFAOYSA-N 465.373 2.224 30 10 JEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@H](c2ccccc2)C1 1507746071 KEZHYKKJQLBYHR-LNLFQRSKSA-N 463.629 2.221 30 10 JEEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1507835947 RQCRLPKFHAAXQX-DYXWJJEUSA-N 460.623 2.148 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1([S@@](C)=O)CC1 1507996038 FUJCFWCCPJDVOD-WTPASJBYSA-N 478.640 2.293 30 10 JEEE C=CCOc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)CC(C)C)cc1 1508100598 MBNJLSNKFSXBKA-HXUWFJFHSA-N 463.604 2.316 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(Oc2ccc(C)cc2)CC1 1508140030 GAOHQAGIQYVOGM-HXUWFJFHSA-N 473.599 2.186 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCc2c(ccnc2O)C1 1508143519 HKGUMOCPVAVHMN-UHFFFAOYSA-N 457.531 2.272 30 10 JEEE CC(=O)Nc1ccc(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CC(=O)NC(C)C)cn1 1508292287 CLUVWTZNCGEBPF-UHFFFAOYSA-N 476.541 2.091 30 10 JEEE CC(C)CC[C@@](C)(O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](C#N)C1 1509251573 BMNDDGINXOQMON-PGRDOPGGSA-N 461.588 2.265 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1Cc1nccn1C(F)F)[C@@H]1CCS(=O)(=O)C1 1539206410 OQFZXUQTQWPALE-MRXNPFEDSA-N 476.509 2.220 30 10 JEEE C#CCN(c1nnc(-c2cccc3cccnc23)n1CCC(=O)NC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1539211751 OHPFDTLTVOOIFW-LJQANCHMSA-N 494.621 2.425 30 10 JEEE C#CCN(c1nnc(C2CCC2)n1CCN(CC)CCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1539222898 YGJIQKJVALPDSA-QGZVFWFLSA-N 461.554 2.447 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CC1CCN(CCC)CC1)[C@H]1CCS(=O)(=O)C1 1539225406 NNHSIVYCONBUIG-QFIPXVFZSA-N 470.643 2.013 30 10 JEEE C#CCN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cccc(CS(C)(=O)=O)c1 1539345245 RTOZROFYFJVGHO-QHCPKHFHSA-N 460.600 2.371 30 10 JEEE C#CCN(CCOC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC(=O)NCCC 1539415766 GSLTYWCQOLXYIG-UHFFFAOYSA-N 462.595 2.005 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(C)CCCO2)CC1 1539489282 TZBUKXYLXPJOLP-RUZDIDTESA-N 462.554 2.264 30 10 JEEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2cccc(O)c2)CC1 1539532918 GNUXRGLTQOCOKY-RXVVDRJESA-N 457.600 2.401 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CC)C[C@H]1COc2ccccc2O1 1539751521 OSBKPNSLJRRSOP-OALUTQOASA-N 476.599 2.439 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@]1(N(C)C)CCSC1 1540186574 DVJWZWOTKRDGCS-AVRDEDQJSA-N 479.672 2.446 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1540904095 JAINXOHNCMFNPP-FQEVSTJZSA-N 455.588 2.211 30 10 JEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CC[C@H](c2ccc(F)cc2)C1 1540907084 LCRGEXZIWUTHLY-SFHVURJKSA-N 461.563 2.134 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CC[S@](=O)C(C)(C)C 1541673868 GIAHQUITECVHMZ-UMSFTDKQSA-N 489.621 2.301 30 10 JEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@H](OCc2ccncc2)C1 1556178685 AYQHFLXELACCBW-ICSRJNTNSA-N 456.568 2.497 30 10 JEEE C#CCN(CC(=O)c1c(N)n(Cc2ccccc2)c(=O)n(C)c1=O)[C@H]1CCCc2ccccc21 1560172465 XTSUMYUHWQCZRZ-QFIPXVFZSA-N 456.546 2.373 30 10 JEEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1Cc1sccc1C)[C@H]1CCS(=O)(=O)C1 1588069667 SCVSZQDZMTUIRP-INIZCTEOSA-N 489.648 2.315 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(CC)cc3)n2Cc2ccc(C(N)=O)nc2)CC1 1588898861 FQSCPHNGTTXGOM-UHFFFAOYSA-N 471.565 2.016 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCOCCN(C)C)CC1 1588908234 MGWRJCPLIGJPSL-UHFFFAOYSA-N 476.984 2.282 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CC2(N3CCSCC3)CCCC2)CC1 1588968841 RDLHIWOZLOQZCX-UHFFFAOYSA-N 474.675 2.142 30 10 JEEE C=C(Br)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(NC(=O)COC)CC1 1589442959 HAJILQLHEBAULM-UHFFFAOYSA-N 489.374 2.369 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1589484099 RBALMAKLWJWLJN-SCTDSRPQSA-N 462.595 2.455 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N(C)CCNS(=O)(=O)c1ccc(C)cc1 1589528452 GKARSDABYIUIJN-KNQAVFIVSA-N 499.641 2.383 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(O)(C(F)(F)F)CC1 1589546406 QBPJPJWPZUAIAD-JYJNAYRXSA-N 478.537 2.055 30 10 JEEE C=C(C)COCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](C(N)=O)C1 1593741317 MQJHBQVHBVGQHD-MSOLQXFVSA-N 462.595 2.297 30 10 JEEE C=CC[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](CNC(C)=O)C1)c1ccccc1 1594552725 RLAQHOYUWVAWJJ-FCHUYYIVSA-N 466.586 2.102 30 10 JEEE C=CCCOCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H]2CCCN2C[C@H]1C 1594789179 ZHYSZIFIALPMOT-TZIWHRDSSA-N 488.658 2.461 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1595489980 KYRKTJAISANFDT-CQSZACIVSA-N 489.378 2.424 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 1595759293 DIEUWAFQJHYGHY-SFHVURJKSA-N 477.606 2.423 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2c[nH]c3ccccc23)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1595788984 MKGNETPNIDICNQ-GOSISDBHSA-N 470.599 2.332 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1csc(C(C)(C)C)n1 1596788755 CMZIHAKLABHZMH-KGLIPLIRSA-N 453.638 2.481 30 10 JEEE CNS(=O)(=O)c1cccc(Cn2c(-c3cccnc3)nnc2N2CCC[C@](C)(C#N)C2)c1 1618837819 CMURXMQSGPRTBO-JOCHJYFZSA-N 451.556 2.427 30 10 JEEE CO[C@]1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(NC(=O)C(C)C)CC2)CCOC1 1619051368 GEUWLURMMKXDHU-DEOSSOPVSA-N 452.559 2.363 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@H]2CCCN(S(=O)(=O)c3cncc(C#N)c3)C2)C1 1622321728 CUJLNETYUZURAG-YQVWRLOYSA-N 450.561 2.426 30 10 JEEE C=CCOC[C@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(C)c2)cc1)C(=O)OC 1634058373 AWPXMACPLRFFCE-IBGZPJMESA-N 450.488 2.409 30 10 JEEE C#CCN(CC#CC)C(=O)c1cc(S(=O)(=O)NC[C@H]2CCCO2)ccc1Br 1634517401 BYPWUYHTBCDGNP-OAHLLOKOSA-N 453.358 2.005 30 10 JEEE C#CCNS(=O)(=O)c1cccc(C(=O)N(C)C[C@@H](O)c2ccccc2Br)c1 1638084987 RBOPMCWALWYPEO-GOSISDBHSA-N 451.342 2.166 30 10 JEEE C#Cc1ccc(NC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccc(Cl)cc2)cc1 1640257701 AXDYCZOLTUYZMR-SFHVURJKSA-N 454.957 2.042 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)OC(C)(C)C)s1 1647859473 MJMCLDMBCGDOSB-KBMXLJTQSA-N 455.602 2.412 30 10 JEEE CCC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1)OC 1649641332 GTQQIHULGCDLCE-NRFANRHFSA-N 478.557 2.131 30 10 JEEE CN(C)C(=O)c1cccc(NC(=O)CN2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)c1 1654154508 DTIAWUHCIDVMHA-UHFFFAOYSA-N 457.538 2.411 30 10 JEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)c(Br)c1)[C@@H](C)C(=O)Nc1ncccc1O 1656477746 HTFWZUYFOKAGOB-GHMZBOCLSA-N 453.318 2.363 30 10 JEEE O=C(N[C@@H]1CC[C@@H](C(F)(F)F)N(S(=O)(=O)c2cc3oc(=O)[nH]c3cc2F)C1)C(F)(F)F 1663269802 BUQTWFVKYDITOW-KBUNVGBDSA-N 479.330 2.023 30 10 JEEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2nc3c(s2)C[C@@H](C(C)(C)CC)CC3)CC1 1669795975 GTFYKKIVIJJVFF-HNNXBMFYSA-N 453.634 2.301 30 10 JEEE C=CCC[C@@H](NC(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)CC1)c1ccccc1 1680580878 NCFSNQCODIJGSE-SVFBPWRDSA-N 450.605 2.375 30 10 JEEE N#Cc1ccc(CN2CC[C@H](NC(=O)N3CCCC[C@@H]3COC(=O)N3CCCC3)C2=O)cc1 1682021387 FXDBGPHUHLZVPL-RTWAWAEBSA-N 453.543 2.456 30 10 JEEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@H]1CCCN1CCCO 1689961038 JIFXBAOJEVHIMH-IBGZPJMESA-N 463.586 2.152 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CCc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1689977654 AAFSFXAODPCNBX-FQEVSTJZSA-N 475.590 2.205 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1Cc1ccc(C[S@@](C)=O)cc1)[C@H]1CCS(=O)(=O)C1 1689980067 LDGBSMCABOKMRX-SICVQTMWSA-N 462.641 2.345 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1cccc(NC(=O)OC)c1)[C@H]1CCS(=O)(=O)C1 1689990887 SVMMQTDMJXMXLK-QUCCMNQESA-N 487.582 2.025 30 10 JEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1C[C@H]1NC(=O)CC1(C)C)[C@H]1CCS(=O)(=O)C1 1689992945 RJVRIYJNWKOQPJ-RBUKOAKNSA-N 490.029 2.064 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1Cc1c(F)cccc1Cl)[C@@H]1CCS(=O)(=O)C1 1689998438 MAOYOXUZSSZPRS-YRNRMSPPSA-N 496.992 2.470 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2cccc(COC)c2)CC1 1690113809 VMEPAALPDYCJQL-RUZDIDTESA-N 453.587 2.269 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2CCc2noc(CC)n2)CC1 1690152247 DKBCTHDVQMTXHB-UHFFFAOYSA-N 477.569 2.319 30 10 JEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2F)C[C@@H]1C 1690155942 QEVORSQEWSLYJN-IRXDYDNUSA-N 480.635 2.109 30 10 JEEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 1690178961 JAVNTIOJNLKJFJ-NRFANRHFSA-N 488.683 2.461 30 10 JEEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(OC)c(OC)c1 1690219301 BALKBHUJEMIIMI-ZDUSSCGKSA-N 488.408 2.451 30 10 JEEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1ccc(C)o1 1690508335 GSLIQYMHWIPAPX-ICSRJNTNSA-N 479.603 2.447 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1690660799 OOKLOTYSFSGLEK-HKARXFIJSA-N 459.522 2.244 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1C[C@H](C)S[C@@H](C)C1 1690669090 UBBWPWHEDAEZOD-HOTGVXAUSA-N 467.599 2.307 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC([C@@H]2CCCO2)CC1 1690675904 JEFILDJJTUGPIM-NRFANRHFSA-N 450.543 2.426 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1690722489 LFAIDFAEWQLUJE-QGZVFWFLSA-N 491.639 2.051 30 10 JEEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(N2CCSCC2)CCCC1 1692662590 IBENPZORDLJSJM-QZTJIDSGSA-N 466.677 2.280 30 10 JEEE Cc1cc(C(F)(F)F)ccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1 1692957517 CRTKXAALZYFTGX-RDJZCZTQSA-N 469.489 2.285 30 10 JEEE CN1CC[C@](O)(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H](OCC(F)(F)F)C2)C1 1696874936 AGIWOXRRFMRTJD-GHTZIAJQSA-N 464.492 2.431 30 10 JEEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1CCN1CCN(C(C)=O)CC1 1705502771 INAZSXRKDDXOSW-KRWDZBQOSA-N 489.418 2.242 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CC1(N(C)C)CCC1)[C@H]1CCS(=O)(=O)C1 1705560530 HUJBWVBDYBSRPN-IBGZPJMESA-N 457.600 2.065 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCOc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1705565254 HOWMWWGORMWZFI-NQIIRXRSSA-N 474.583 2.234 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCN1C[C@H](C)O[C@@H](C)C1 1705606960 LZTQWMQDPDBDAC-PMACEKPBSA-N 488.658 2.154 30 10 JEEE C#CCN1CCN(c2nnc(CCCOc3ccc(Cl)cc3C)n2CCC(=O)N(C)C)CC1 1705641660 ODODLLIYARATKP-UHFFFAOYSA-N 473.021 2.485 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2CCn2cc(Br)cn2)CC1 1705644449 QYFHHIZTCDMGJM-OAHLLOKOSA-N 462.396 2.417 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCCC2CCOCC2)CC1 1705645396 SINZPKVSXMAZQG-VWLOTQADSA-N 473.618 2.103 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OC)n2Cc2cc(C)no2)CC1 1705651414 WENFWHQMQRLEOT-UHFFFAOYSA-N 464.526 2.176 30 10 JEEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(N2CCNC2=O)CC1 1705656559 BILKACNZJMQWES-UHFFFAOYSA-N 470.599 2.323 30 10 JEEE C#CCSCCn1c(COc2cccc(C)c2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1705664059 IVUTYSGNMDAWMW-OAQYLSRUSA-N 482.610 2.299 30 10 JEEE C#CCSCCn1c(COc2cccc(C)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1705664600 UXWXSIXPCJKOPW-LJQANCHMSA-N 468.583 2.005 30 10 JEEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1705686947 PVQWMIPGGNMHPL-NVXWUHKLSA-N 450.385 2.134 30 10 JEEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)CC(C)(C)C1 1705830425 PINRQJRXAFNFEE-MSOLQXFVSA-N 455.625 2.076 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCCN(c2ncccc2F)CC1 1705935454 RZSOACUHIYTGLA-UHFFFAOYSA-N 450.584 2.328 30 10 JEEE C=CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(CC(F)F)CC1 1705943995 QSTCWPMDVVSANW-UHFFFAOYSA-N 475.569 2.498 30 10 JEEE C[C@](O)(Cn1c(-c2cccc(C#N)c2)nnc1N1CCCN(S(C)(=O)=O)CC1)c1cccs1 1706897867 HMZXDBJSACIIOT-QFIPXVFZSA-N 486.623 2.258 30 10 JEEE CCC[C@@H](C)C(=O)NCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1709457996 FWOSICIQUKRRPD-GOSISDBHSA-N 498.607 2.306 30 10 JEEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC1(O)CC(OCC)C1 1722302316 RGZQCOPBLGSXEE-ZMWWRJPQSA-N 466.630 2.031 30 10 JEEE C#CCCCn1c(COc2ccccc2OC)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1722340095 NATLEAXCZLXKIQ-UHFFFAOYSA-N 475.553 2.100 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCc1cccc(OCC)c1)[C@@H]1CCS(=O)(=O)C1 1722368167 PGTAWUUZBIBRDL-LEWJYISDSA-N 472.611 2.440 30 10 JEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2cc(C)ccc2OC)CC1 1722453206 PFLATSODJHTGRW-UHFFFAOYSA-N 470.643 2.422 30 10 JEEE C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1722521537 OAMPHRXGESIPQY-OAHLLOKOSA-N 452.519 2.070 30 10 JEEE C=CCN(c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(=O)N1CCOCC1)C1CC1 1722649551 TULCTJFHLFXTMZ-SFHVURJKSA-N 474.606 2.406 30 10 JEEE C=CCOc1ccc(Cn2c(N3CC(=O)N(C)[C@H](C)C3)nnc2[C@]2(OCC)CCOC2)cc1 1722704017 AHFWMVMBUXWCKM-KOSHJBKYSA-N 455.559 2.210 30 10 JEEE C=CCSCCn1c(N2CCN3C(=O)NC[C@@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1722739671 KHPRJGQCAISLRE-IXDOHACOSA-N 477.635 2.182 30 10 JEEE CC(C)NC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1723650536 DJLURLZLPZHFQV-RHSMWYFYSA-N 466.464 2.409 30 10 JEEE CCOc1ccccc1OCc1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@]1(O)CCN(C)C1 1728898976 CFIIFKAIGHHTEQ-ZEQRLZLVSA-N 454.575 2.452 30 10 JEEE CN(C)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)(=O)CC1)c1cccs1 1729316111 HXRJUYZTQYXZFW-GOSISDBHSA-N 456.597 2.416 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(OCC)cc1 1740591031 LTEGUEOFMPCQBK-HXUWFJFHSA-N 461.588 2.060 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1740616938 JFCDHBZWKUALSO-YSTOQKLRSA-N 465.664 2.306 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H](C2CC2)N(C)C)CC1 1740707064 NECSZMFRCGHAKJ-QFIPXVFZSA-N 452.578 2.314 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Br)cc2)n1CCNS(C)(=O)=O 1740734964 RJGIWRWSRXVHPB-LJQANCHMSA-N 482.404 2.161 30 10 JEEE C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H]1CC=CCC1 1740744725 FTLNRVNDDGJFGL-HOTGVXAUSA-N 474.425 2.312 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1)C(C)C 1740927320 SXIZBSZJADVRPV-FBROZUCGSA-N 472.634 2.312 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2(NC(=O)OC(C)(C)C)COC2)C1 1740983741 OXVRFZAPYLCCQV-LJQANCHMSA-N 487.605 2.215 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@@H](c2nnc(N3CCO[C@H](C#N)C3)n2CCN2CCSCC2)C1 1741213231 AZMWBJNYJLHDSD-RTBURBONSA-N 491.662 2.170 30 10 JEEE C[C@@H]1COCCN1CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@](F)(C#N)C1 1743361535 CQKPPVJLSGHYIU-ACJLOTCBSA-N 452.332 2.198 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCc1nccnc1C 1744086107 BKFBDOYNFRRZOU-UHFFFAOYSA-N 488.600 2.131 30 10 JEEE CCO[C@]1(c2nnc(N(C)[C@@H](C)CC#N)n2CCn2cc(Br)cn2)CCOC1 1746645847 ALHVDPOWENAKKV-KBXCAEBGSA-N 452.357 2.328 30 10 JEEE CCOc1ccc(-c2nnc(N3CCN(c4ccc(C#N)cn4)CC3)n2CC(=O)N(C)C)cc1OC 1746798230 IBGBEDCBFWQXHF-UHFFFAOYSA-N 490.568 2.034 30 10 JEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCC2(C1)OCCO2 1748789932 QMLOECLBVOOSFY-ZWKOTPCHSA-N 461.563 2.199 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1ccc(C)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1748811801 LQOZRGLJSMOBOO-HXUWFJFHSA-N 451.552 2.332 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCN1CCCC[C@@H]1CC)[C@@H]1CCS(=O)(=O)C1 1748820978 KRUGBBFWHVASJD-FCHUYYIVSA-N 487.674 2.031 30 10 JEEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1749024311 MKRISROWCFWOHJ-KRWDZBQOSA-N 455.544 2.260 30 10 JEEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1749024449 QRGJHELYZWXVRV-LJQANCHMSA-N 471.627 2.487 30 10 JEEE C=C(Br)Cn1c(CCCc2ccccc2)nnc1N1CCN(S(C)(=O)=O)CC1 1749108985 AGJGLBIODJEYPH-UHFFFAOYSA-N 468.421 2.444 30 10 JEEE C=CCOc1ccc(Cn2c([C@H]3CCOC3)nnc2N2CCC(N(C)S(C)(=O)=O)CC2)cc1 1749683639 AHHBQZRCYULAPW-IBGZPJMESA-N 475.615 2.255 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@H](C(=O)NC)C1 1749738517 OHKAHXMXHQHFPF-IBGZPJMESA-N 475.615 2.037 30 10 JEEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 1749754551 ORAROSOCXZUHKH-IBGZPJMESA-N 490.655 2.049 30 10 JEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCNC(=O)c1ccccc1F 1760175202 WFNOGEYQBIPPQE-IBGZPJMESA-N 486.548 2.225 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC1(N(C)C)CCC1)[C@H]1CCS(=O)(=O)C1 1760183263 PRTVMMCKWFMJPH-NRFANRHFSA-N 498.653 2.258 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCOCC)[C@@H]1CCS(=O)(=O)C1 1760188451 PFQRUNURCQMZPR-RTBURBONSA-N 495.646 2.056 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CCc1cc(C)ccc1OC)[C@@H]1CCS(=O)(=O)C1 1760190404 QEHULAGRKPQVNM-JOCHJYFZSA-N 479.606 2.450 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1Cc1nnc(CC)s1)[C@@H]1CCS(=O)(=O)C1 1760191675 LOLPAACWQGICTE-MRXNPFEDSA-N 490.586 2.085 30 10 JEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1c(CC)nn(C)c1CC 1760206055 PWXOZTZFSSGUSG-UHFFFAOYSA-N 471.613 2.432 30 10 JEEE C#CCN(CC)c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CC(=O)N(CCOC)C1 1760226539 VDFRXXZKGJEJFO-OAHLLOKOSA-N 463.380 2.001 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CC2(CCOC)CCCCC2)CC1 1760264816 GIWWVYOLZAOIFP-UHFFFAOYSA-N 472.634 2.369 30 10 JEEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(CC(=O)N(C)C)CC1 1760280301 OIWQLQHZPNPJEE-UHFFFAOYSA-N 493.637 2.253 30 10 JEEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1760350369 FSPVXHZQYQSYRY-INIZCTEOSA-N 492.378 2.101 30 10 JEEE C=C1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCS(=O)(=O)CC)CC1 1760389951 XLFYFOCMXKPBMQ-QGZVFWFLSA-N 469.608 2.178 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1760406362 BRUZATCFCRLWHN-CQSZACIVSA-N 494.584 2.386 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccnc(OCc2ccccc2)c1 1760464760 OJOCKIXCHKHBDZ-NRFANRHFSA-N 498.609 2.256 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC(C(=O)c3cccs3)CC2)nnc1[C@]1(OCC)CCOC1 1760529081 WMZQEUOQRCZGEO-QHCPKHFHSA-N 473.599 2.393 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC(=O)NC(C)C)C1 1760548013 WITSDBYHFWYISY-KSZLIROESA-N 462.595 2.355 30 10 JEEE N#Cc1cccc(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)NCc3ccco3)cc2)c1 1858976902 BFYXUGSJSZQETB-UHFFFAOYSA-N 452.492 2.312 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@H]2c2ccccc2C(=O)O)cc1C 1862407296 LAYCPWPRTWATGP-FQEVSTJZSA-N 452.463 2.416 30 10 JEEE COc1cccc(C(=O)C2=C(O)C(=O)N(C[C@H](C)O)[C@@H]2c2cc3c(cc2[N+](=O)[O-])OCCO3)c1 1862708884 HGCFLJNNQCPOBH-FKIZINRSSA-N 470.434 2.334 30 10 JEEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1cccc([N+](=O)[O-])c1 1862754362 JXKFFHWOIAEEJG-SFHVURJKSA-N 454.395 2.217 30 10 JEEE COc1cc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2CCCO)cc(OC)c1O 1862761286 HVMDBMCWXBMJQW-SFHVURJKSA-N 458.423 2.278 30 10 JEEE CCOc1ccccc1OCC(=O)Nc1c(C#N)nnn1Cc1cc([N+](=O)[O-])cc2c1OCOC2 1870109492 WRCDBHJDSMAGJP-UHFFFAOYSA-N 480.437 2.389 30 10 JEEE C=CCn1cc(OCC(=O)NCc2ccccc2OC)c(=O)cc1CN1C[C@H](C)O[C@@H](C)C1 1870641095 NEXLHSCGIDTJBG-OALUTQOASA-N 455.555 2.347 30 10 JEEE C#CCOc1cn(CCCN2CCCC2=O)c(CNc2ccc(N3CCN(C)CC3)cc2)cc1=O 1871005100 ONTVVMBTQLFAQP-UHFFFAOYSA-N 477.609 2.237 30 10 JEEE CC(=O)Nc1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)NCC#CCN(C)Cc2ccccc2)cc1 1891612884 DMHDXPFWIANNOI-RUZDIDTESA-N 496.633 2.440 30 10 JEEE C#CCNC(=O)[C@H](C)[S@](=O)CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 2019037173 HSADZLIKSYQFOS-TYTIHQQNSA-N 482.558 2.255 30 10 JEEE C=C(Br)CS(=O)(=O)N[C@@H]1CCC[C@@H]1N1CCN(C(=O)OC(C)(C)C)CC1 2118088357 TWLYHEYUNHZBAT-CABCVRRESA-N 452.415 2.288 30 10 JEEE C#CCO[C@@H]1CCN(C(=O)c2cc(I)cc(I)c2O)C1 2145481074 MLJYYJGVJBXVBG-SNVBAGLBSA-N 497.070 2.466 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@H](OCC(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2180992347 YVOUOFMFGOEDMV-INIZCTEOSA-N 462.356 2.130 30 10 JEEE CN1C[C@H](C(=O)N2CC[C@@H]3C[C@]3(B3OC(C)(C)C(C)(C)O3)C2)N(C(=O)OC(C)(C)C)CC1=O 2194128252 DFYWKVGLCQECEE-LNPFQXMTSA-N 463.384 2.149 30 10 JEEE CC(C)(C)OC(=O)N1CC([S@](C)(=O)=NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)C1 2255634908 VGUNCQBQTJENKM-HKBQPEDESA-N 471.410 2.300 30 10 JEEE CC1(C)OB(c2nscc2C(=O)N[C@@H]2CCOC[C@H]2NC(=O)OCc2ccccc2)OC1(C)C 2255636602 WLNOMVKYVXZOMD-QZTJIDSGSA-N 487.387 2.256 30 10 JEEE CO[C@H]1CN(C(=O)c2ccsc2B2OC(C)(C)C(C)(C)O2)C[C@H]1NC(=O)OC(C)(C)C 2255646111 MBWZHDNRJJBWDU-CABCVRRESA-N 452.382 2.411 30 10 JEEE CO[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)N(C(=O)c2occc2B2OC(C)(C)C(C)(C)O2)C1 2267183612 HACXTCCLCSAZPN-LSDHHAIUSA-N 450.341 2.333 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2C(CNS(=O)(=O)c3sccc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2267368210 FSMMPTOLMAXGNH-HUUCEWRRSA-N 484.449 2.439 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)N1CCc2sc(B3OC(C)(C)C(C)(C)O3)cc2C1 2268652598 IAGMDENTRAZCGF-SUMWQHHRSA-N 466.409 2.206 30 10 JEEE Cc1c(C(=O)N[C@@H]2[C@H]3CCCN(C(=O)OC(C)(C)C)[C@H]32)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281803381 WJBXAMPMHISVTD-DJIMGWMZSA-N 460.384 2.155 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@@H](NC(=O)c3ccccc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2281945249 LMQWEIGSKHMQCA-QRQLOZEOSA-N 458.364 2.350 30 10 JEEE CCc1nn(C)c(C(=O)N2CC3(CCN3C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2281992669 QCLQTOMFRBSEJG-UHFFFAOYSA-N 460.384 2.117 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 2282005458 PTLISVJLPYVPEN-INIZCTEOSA-N 462.400 2.499 30 10 JEEE CCn1cc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]3C[C@H]32)nc1B1OC(C)(C)C(C)(C)O1 2282052122 LKWPAVQNIGTIEP-UXLLHSPISA-N 460.384 2.330 30 10 JEEE Cc1c(B2OC(C)(C)C(C)(C)O2)cccc1C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O 2282121768 UQLGXFDWPMOQDK-RBUKOAKNSA-N 460.380 2.394 30 10 JEEE CC(C)(C)OC(=O)NC[C@]1(O)CCCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2282189411 JUWBXHWSJXCLBF-XMMPIXPASA-N 460.380 2.478 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1[C@@H]2CN(S(=O)(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)c(F)c3)C[C@@H]21 2282324835 VJDKWQWLWZLOOJ-HWWDLCQESA-N 482.383 2.269 30 10 JEEE Cn1cc(C(=O)N[C@@H]2C[C@@H]3C[C@@H](NC(=O)OC(C)(C)C)[C@@H]3C2)nc1B1OC(C)(C)C(C)(C)O1 2282547441 QNYJYYKZLXRDKY-KLHDSHLOSA-N 460.384 2.141 30 10 JEEE C[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2282552583 RFXLUSMOIRUGOK-JKSUJKDBSA-N 462.400 2.485 30 10 JEEE Cn1ncc(C(=O)N[C@@H]2CN(Cc3ccccc3)CC(F)(F)C2)c1B1OC(C)(C)C(C)(C)O1 2282561626 SMUCFXCKXLWLCR-KRWDZBQOSA-N 460.334 2.359 30 10 JEEE C[C@@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2O)CC[C@H]1NC(=O)C(F)(F)F 2282971946 JKXGJDDNACVPLS-IUODEOHRSA-N 456.270 2.221 30 10 JEEE CC(C)(C)OC(=O)NC[C@]12C[C@H]1CN(S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1)C2 2288260701 LJJLCQHOXIUGAL-QKKBWIMNSA-N 499.464 2.119 30 10 JEEE NC(=O)CSc1nnc([C@@H]2CC(=O)N(Cc3ccccc3)C2)n1N=Cc1ccc(F)cc1 2325917200 OTZMOKGBERAZTG-QGZVFWFLSA-N 452.515 2.393 30 10 JEEE CCCNC(=O)CSc1nnc(CNC(C)=O)n1N=Cc1cccc(Br)c1 2330743693 SYFBCYABJLKBLG-UHFFFAOYSA-N 453.366 2.177 30 10 JEEE CCOc1c(C=Nn2c(CNC(C)=O)nnc2SCC(=O)Nc2nccs2)cccc1OC 2330747969 AOEDWXQAEKOGFB-UHFFFAOYSA-N 489.583 2.391 30 10 JEEE CC(C)(C)OC(=O)NCCO[C@@H]1CCN(C(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C1 2337405182 NWCYRDUGVSKDSL-CQSZACIVSA-N 467.397 2.198 30 10 JEEE CC(C)(C)OC(=O)N1CC2(CC[C@@H](NC(=O)c3ccoc3B3OC(C)(C)C(C)(C)O3)CO2)C1 2362418576 YEENUPDJUJRBTM-OAHLLOKOSA-N 462.352 2.477 30 10 JEEE CC(C)(C)OC(=O)N1CC(C(=O)N2CC[C@@H]3C[C@@]3(B3OC(C)(C)C(C)(C)O3)C2)(S(C)(=O)=O)C1 2379797117 LDNBRTKGFUIRLB-QVKFZJNVSA-N 484.424 2.105 30 10 JEEE Cc1cc(C)nc(N/C(=N/C(=S)NC[C@H]2CCCO2)NCCSCc2nc[nH]c2C)n1 14159296 GZFSVKYJPPBXDE-MRXNPFEDSA-N 462.649 2.469 30 10 JEEE CC(=O)Nc1ccc(S(=O)(=O)N/N=C2\C(=O)N(CCN3CCCCC3)c3ccccc32)cc1 59167388 QESJCVOVZCVELJ-LVWGJNHUSA-N 469.567 2.160 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 204866443 VQDFMFQAGBJNBR-RDJZCZTQSA-N 475.399 2.092 30 10 JEEE C#CCN(C(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(C)c2)cc1)[C@@H]1CCS(=O)(=O)C1 729332510 YYBNUQGOPJCMFR-GOSISDBHSA-N 464.540 2.197 30 10 JEEE COc1ccc(C(C)=NNc2nnc(SCC(=O)Nc3ccccc3[N+](=O)[O-])n2N)cc1OC 1083950142 RHZBHFDJRACOTB-UHFFFAOYSA-N 486.514 2.484 30 10 JEEE C#Cc1cccc(N(CC(=O)NC)C(=O)c2cc3n(n2)C[C@H](C)N(C(=O)OC(C)(C)C)C3)c1 1125505658 UXJOYBVIQRVQNT-INIZCTEOSA-N 451.527 2.396 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)s1 1135836852 YPFBZTFCRKQCBJ-UHFFFAOYSA-N 458.609 2.361 30 10 JEEE C=CCN(C(=O)Nc1ccc(C)c(S(=O)(=O)N2CCCCC2)c1)[C@H]1CCS(=O)(=O)C1 1214473821 KXCRXVJBYAKBMR-SFHVURJKSA-N 455.602 2.377 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CCN2CCC(C)CC2)c1 1286309481 KZNMUJNZHLOHCR-NRFANRHFSA-N 463.586 2.017 30 10 JEEE C#CCN(c1nnc(-c2ccccc2F)n1CCCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1286386922 JXRJEMSKBGSGNA-GOSISDBHSA-N 456.547 2.306 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCCCO2)n1CC1(O)CCS(=O)(=O)CC1 1286456708 SYZQZQXVCOINDH-FQEVSTJZSA-N 476.574 2.238 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCOCC1 1286555881 LSQXOBASUMRTPD-OTWHNJEPSA-N 463.579 2.404 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2c(F)cccc2F)nnc1N(C)CC(=O)N1CCOCC1 1286559519 XEHFDHAOKJZUOF-HXOBKFHXSA-N 475.540 2.423 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(S(C)(=O)=O)CC1 1286565298 ZZWBSQBMXMWQMQ-ZGXWSNOMSA-N 481.663 2.260 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1286568962 ZABMBCGXPXGPBD-FOWVLEKCSA-N 474.533 2.338 30 10 JEEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)[C@@H]1C[C@@H](OCC)C1(C)C 1286788163 QXOFJRNIQHTNCF-WOJBJXKFSA-N 482.633 2.394 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1286795070 DYYXVJNXFCRWPO-NUJGCVRESA-N 461.588 2.100 30 10 JEEE C=CCOc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](COC(C)C)C2)cc1 1286797676 YWWXDBCSOYGUTB-RBBKRZOGSA-N 490.626 2.424 30 10 JEEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(c2nccc(OCC)n2)CC1 1286831028 SEMQATFJQGSLGS-QGZVFWFLSA-N 472.619 2.054 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1Cc1cccc(NC(=O)[C@H]2CCCO2)c1 1286968983 CSOVCYNUIQXIKW-FXAWDEMLSA-N 465.558 2.162 30 10 JEEE CC(C)NC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1288241197 FQZKZSYARGRKHE-UHFFFAOYSA-N 462.533 2.126 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CCN2CCCC(C)(C)C2)c1 1300332447 GFHDCQLWBMUJBC-NRFANRHFSA-N 477.613 2.407 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2CCCNC(=O)C(C)C)c1 1300336367 DUSNTHFDOUEBAB-HXUWFJFHSA-N 452.559 2.348 30 10 JEEE COc1ccccc1N1CC[C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CC[C@](F)(C#N)C2)C1 1300614505 CWFQVHQBTPGBBP-HXOBKFHXSA-N 455.538 2.393 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(Br)c2)n1CCS(=O)(=O)CC 1300657709 QLPXGUBFWZSRJU-UHFFFAOYSA-N 455.378 2.228 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CC[S@](=O)C(C)(C)C 1300664840 VIXILKOXJGZXRY-YTTGMZPUSA-N 456.572 2.227 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1c[nH]c2cc(F)ccc12 1300671709 NEJFPSHKGNMHKE-QGZVFWFLSA-N 459.547 2.129 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](N2CCCCC2)C1 1301150804 APBRPIVRZRAKMO-WOJBJXKFSA-N 480.679 2.278 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1301482854 DRTFFGRDJCHYLI-MRXNPFEDSA-N 462.501 2.344 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1301493426 YFVGZMGSOHOPNF-BXKMTCNYSA-N 471.558 2.039 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCN(CC)[C@H](C)C1 1301496825 HTZIALOANYPZIB-GOSISDBHSA-N 478.601 2.069 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N(C)Cc1ccc(F)c(Cl)c1 1301566940 CRYLYCZXSGSSOV-UHFFFAOYSA-N 457.959 2.446 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N(C)Cc1ccccc1N1CCOCC1 1301578046 QRDFKJJIPKHIPC-UHFFFAOYSA-N 484.626 2.357 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1301588073 UPKVUJDCYXFDGQ-OAQYLSRUSA-N 488.589 2.403 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1301596684 VVAKEIMLBNPDQK-VAMGGRTRSA-N 481.663 2.102 30 10 JEEE CC(C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCOC[C@@H]2C)CC1 1303457023 CWXYMDRZYVBTLJ-SIKLNZKXSA-N 465.602 2.136 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1CC1(NC(=O)OC(C)(C)C)COC1 1358897499 ADAMKOVTEDTZKL-QGZVFWFLSA-N 466.542 2.480 30 10 JEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2ncc(-c3ccccc3)o2)CC1 1358920005 PRQBPWLQCXTCKF-LJQANCHMSA-N 497.625 2.279 30 10 JEEE C#CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCN1CCC[C@H]1C(=O)N(C)C 1358954298 CFDPPOAZFHELCF-PMACEKPBSA-N 487.649 2.362 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1ccc([C@H](C)O)cc1)[C@@H]1CCS(=O)(=O)C1 1358961494 ACOIHHQYDLXFKS-WMQCIHAUSA-N 458.584 2.248 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@@H](C)COC)[C@H]1CCS(=O)(=O)C1 1358963166 CXJUOFODNMBIBS-CVEARBPZSA-N 452.527 2.056 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@](C)(O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1358967223 GFFKLBJHDRZCQN-VGSWGCGISA-N 464.563 2.030 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CC2=CCN(C(=O)OC(C)(C)C)CC2)CC1 1359045970 ZCSRDNTWNKERHA-UHFFFAOYSA-N 456.591 2.374 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1359063834 FOGAVJXPNRPXCV-GLYQVZKVSA-N 488.610 2.359 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCCO2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1359098767 FROAOWBGTPKZSE-HOJAQTOUSA-N 467.636 2.409 30 10 JEEE C=C(C)COCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(C(C)=O)C[C@@H]1C 1359132126 ODRLXOHZLUBWAY-INIZCTEOSA-N 451.531 2.244 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc(F)c(F)c1 1359327029 PUYUZVKRPVFCCP-UHFFFAOYSA-N 453.515 2.030 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](CC)c2ccccc2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1359327946 OXTOWSJJRABPMB-AUSIDOKSSA-N 473.599 2.452 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H](NC(=O)CC)C1 1359336572 VAUWBTGSAFIAKE-NLWGTHIKSA-N 481.663 2.293 30 10 JEEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1Cc2ccccc2O[C@@H](C)C1 1359343154 NALIQUWNWYSNNM-PXNSSMCTSA-N 493.655 2.318 30 10 JEEE CC(C)(C)OC(=O)N1CCN([C@H]2CCCN(C(=O)Cc3ccc(OCC#N)cc3)C2)C(=O)C1 1447977115 BDYKIMUCSCRDID-IBGZPJMESA-N 456.543 2.202 30 10 JEEE CO[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1503929220 GIDSGMYETJAHHO-PCCBWWKXSA-N 479.629 2.478 30 10 JEEE CS(=O)(=O)c1ccc(CCn2c(Cc3ccccn3)nnc2N2CC[C@@](F)(C#N)C2)cc1 1505120537 GSSMGIZHZLIDJA-JOCHJYFZSA-N 454.531 2.352 30 10 JEEE C#CCCCn1c(-c2ccc(F)cc2Br)nnc1N1CCN(S(C)(=O)=O)CC1 1507580772 KPWQTCUYMILUOM-UHFFFAOYSA-N 470.368 2.342 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1507624572 BOLDNMPFEGBFPB-GOSISDBHSA-N 489.598 2.105 30 10 JEEE C#CCN(c1nnc(C2CCCC2)n1CC1(COC)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1507632916 QSYMUMYKASKPDG-LJQANCHMSA-N 450.605 2.006 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@@H](C)N2CCc3ccccc3C2)CC1 1507720149 SBGCFJVIIWSPJP-FGZHOGPDSA-N 466.630 2.204 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@H](C)N(C)C)CC1 1507735458 AISCVUNUJIMMPZ-MSOLQXFVSA-N 456.566 2.473 30 10 JEEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1507746935 GWUSXWFPCYYEOM-GOSISDBHSA-N 470.599 2.369 30 10 JEEE C#CCSCCn1c(-c2ccc(F)cc2Br)nnc1N1CCN2C(=O)NC[C@@H]2C1 1507748801 MQRXDYWWGZKJII-CQSZACIVSA-N 479.379 2.427 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN1CCOCC1(C)C 1507763949 HBRQUXLHIKTPNA-XMMPIXPASA-N 471.627 2.452 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1507792483 YQQYXRBKTIPMPT-UTKZUKDTSA-N 470.549 2.390 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1507825400 WEJMKMLJSNRQGT-SFHVURJKSA-N 460.604 2.076 30 10 JEEE C=CCNC(=O)Cn1c(Cn2ccc3ccccc32)nnc1N1CCN(C(=O)OCC(C)C)CC1 1508095676 QNSLLSAJGWTTHN-UHFFFAOYSA-N 479.585 2.498 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC2(C(N)=O)CCCC2)C1 1508130275 GXXDCUJRQMAARS-MRXNPFEDSA-N 458.588 2.097 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(CC)[C@@H](C)C1 1508136636 VHNVLZOQOFLBFT-KRWDZBQOSA-N 463.604 2.094 30 10 JEEE CC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCC[C@H]2C(=O)N(C)C)CCO1 1514138428 HNZVICOTOTXTKR-VXKWHMMOSA-N 465.602 2.375 30 10 JEEE C#CCn1ccc(CN(CCOC)C(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)n1 1531362623 DSWGUGOTWTWALY-UHFFFAOYSA-N 458.584 2.288 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCN1c1cnn(C)c1 1539015089 NYGRXLOXSVBUMU-SBHAEUEKSA-N 498.632 2.447 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2CCCCN2CC)c1 1539042525 HIYDQLKTJHECIU-LEWJYISDSA-N 463.586 2.160 30 10 JEEE C#CCCCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)COc2ccc(F)cc2)CC1 1539119210 INRWAEZUKPVSSL-IBGZPJMESA-N 455.534 2.452 30 10 JEEE C#CCN(CC#CC)c1nnc(Cc2ccc(Cl)cc2)n1CCN1CCN(C(C)=O)CC1 1539327912 IAPLEESZCROMEQ-UHFFFAOYSA-N 452.990 2.149 30 10 JEEE C#CCN(CCOC)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@]1(O)CCN(C)C1 1539423073 RJVOUORVDKZRRN-OAQYLSRUSA-N 450.008 2.376 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CCNC(=O)C2CC2)CC1 1539436023 GOVLQDZNMDKIFR-UHFFFAOYSA-N 466.586 2.022 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H]2CCC[C@@H](O)C2)CC1 1539462989 QTJXDHSQCWZMCD-MXEMCNAFSA-N 472.634 2.355 30 10 JEEE C#CCSCCn1c(-c2ccccc2F)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1539505044 FPOQEUVAOPGYFY-UHFFFAOYSA-N 458.563 2.025 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCSCC2)cc1 1539539429 UQIVDZPCFFFNES-WZONZLPQSA-N 488.683 2.482 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OCCC)cc1 1539556697 HDEXZSHNKHNNCE-ZJSXRUAMSA-N 487.626 2.440 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1539634263 ADRPNZBPQKBUDY-XPNTWCBSSA-N 488.658 2.353 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccccc3CC)n2CC(=O)N2CCOCC2)C1 1540896986 YCXHYBMYIMNBKL-HXUWFJFHSA-N 455.559 2.060 30 10 JEEE Cc1csc([C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCS(=O)(=O)N(C)C)CCO2)n1 1542853496 HQRUTHWBJFBGPF-GOSISDBHSA-N 487.611 2.051 30 10 JEEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2nccc(C(F)F)n2)CC1 1555596880 CBPYTSICLXQSLQ-UHFFFAOYSA-N 484.511 2.273 30 10 JEEE N#Cc1ccc(OCc2nnc(N3CCN(CC(F)(F)F)CC3)n2CCN2CCSCC2)cc1 1555990832 HZDMSNYHEUZEOK-UHFFFAOYSA-N 495.575 2.462 30 10 JEEE C#CCOc1cccc(NC(=O)N2CCN([C@@H]3CCCN(c4cc(C)nn4C)C3=O)CC2)c1 1562370336 DZPUJGGQRHZADJ-OAQYLSRUSA-N 450.543 2.086 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CC2(N(C)C)CCC2)c1 1587684110 SNGVQPCQYQZYQB-UHFFFAOYSA-N 463.586 2.055 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H](OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1588028987 BMUFYAYRPHNVIB-RTWAWAEBSA-N 485.610 2.199 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCN1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1588049230 CNXDMYUAMMFGSA-FQEVSTJZSA-N 456.616 2.007 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1ccc(OC(C)C)nc1)[C@@H]1CCS(=O)(=O)C1 1588055414 VTUKLCMLSSJEML-WOJBJXKFSA-N 473.599 2.029 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccc(C)cc2F)CC1 1588891637 ROZJZFDYLMJDHB-VWLOTQADSA-N 469.561 2.392 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2C[C@](C)(O)c2ccco2)CC1 1588946563 FBWQXNPKHRRKAI-SANMLTNESA-N 477.565 2.344 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCN(CC)CCC(F)(F)F 1589151046 QDOMHKLJFWAYNO-MAUKXSAKSA-N 464.558 2.155 30 10 JEEE C=C(Br)Cn1c(-c2cccnc2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1589367430 UUEVARIDBZGBFI-OAHLLOKOSA-N 460.336 2.015 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(C)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1589567243 CFTZNSDCSMHVHC-SSPYTLHUSA-N 469.586 2.488 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCO[C@H](c2ccccc2Br)C1 1595529945 NMGXXHSMNHQWOS-SFHVURJKSA-N 484.358 2.378 30 10 JEEE CCN(CC)C(=O)c1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)cc1 1615306444 BAJZTKBGJDCRGA-KRWDZBQOSA-N 487.630 2.159 30 10 JEEE N#CCCN(Cc1cccnc1)S(=O)(=O)C[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 1666174640 BNBJWTXJDSWQBH-NRFANRHFSA-N 458.540 2.165 30 10 JEEE C#C[C@H](NC(=O)N1CCC(c2nnc3n2CCN(C(=O)OC(C)(C)C)C3)CC1)[C@H]1CCCO1 1680314274 MFAGPOSFTFYSNH-ZWKOTPCHSA-N 458.563 2.099 30 10 JEEE C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCN(S(=O)(=O)c2ccc(OCC)c(OCC)c2)CC1 1686531708 NGHVXDIHNAHSMY-MOPGFXCFSA-N 467.588 2.234 30 10 JEEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1689932209 UMQWTAQINLOZSL-RTBURBONSA-N 495.646 2.403 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCCO[C@@H]2CCOC2)CC1 1690132454 QVFUCNPPQJGKPF-HSZRJFAPSA-N 453.587 2.425 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1nc2c(s1)CCCC2 1690189802 BWJDZILHBVABJQ-QVKFZJNVSA-N 462.645 2.458 30 10 JEEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1690299491 UCAVTDSNRQSMAV-QGZVFWFLSA-N 453.547 2.013 30 10 JEEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 1690327946 BGKZPQMIQFTQFX-XHDPSFHLSA-N 459.922 2.171 30 10 JEEE C=CCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1690489766 BSTGNGTYYDPPMX-QFIPXVFZSA-N 472.659 2.232 30 10 JEEE C=CCCCn1c(N2CCN(CC(=O)N3CCCCC3)CC2)nnc1[C@]1(OCC)CCOC1 1690496735 WWPUFFBRZMXETL-DEOSSOPVSA-N 460.623 2.031 30 10 JEEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1690515215 ICPDPUVMCSVZNO-HOTGVXAUSA-N 456.613 2.158 30 10 JEEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1690674115 PGGVGBDROGMAGZ-CEYNDMKZSA-N 469.586 2.147 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc4ccccc4n3)n2CCNS(=O)(=O)CC)C1 1690692132 RTWTZHAOOSGBAT-SFHVURJKSA-N 456.572 2.214 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1690719539 OMDOQHJELZVVLK-NRFANRHFSA-N 473.643 2.267 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC2CC2)CCO1 1691255873 AWKYLPNDZDTWQL-FQEVSTJZSA-N 495.584 2.073 30 10 JEEE CC(C)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC(F)(F)F)CC1 1692570432 GKYYKNHEDMPPEF-UHFFFAOYSA-N 479.507 2.374 30 10 JEEE Cc1cccc(OCc2nnc(N3CCN(c4nccnc4C#N)C[C@@H]3C)n2C[C@H](C)N(C)C)c1 1693224903 DFRPYPYMQJMLGI-PMACEKPBSA-N 475.601 2.492 30 10 JEEE CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1nnc2n1CCCCC2 1696460686 CZWNCGXKZRPSKV-KRWDZBQOSA-N 482.614 2.442 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2CCCn2ccnc2C)c1 1705505947 WTCBCEPBIHFLFI-UHFFFAOYSA-N 455.526 2.387 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC(C)(C)c1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1705567182 VNSRFGWDSBIPQR-HXUWFJFHSA-N 470.574 2.422 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCc1cccc(C(=O)N(C)C)c1)[C@@H]1CCS(=O)(=O)C1 1705567292 VLTIAOGKZMTEQK-YADHBBJMSA-N 499.637 2.091 30 10 JEEE C#CCN(CC)c1nnc(-c2ccc(OC)c(Br)c2)n1CC(=O)N1CCOCC1 1705609666 LYZSVDLNABQBGZ-UHFFFAOYSA-N 462.348 2.035 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1705687426 DGPPKBWYDTZZJR-QGZVFWFLSA-N 469.428 2.071 30 10 JEEE C=C(C)COCCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1705731470 YSLDNYHRKUMLMX-FQEVSTJZSA-N 463.380 2.498 30 10 JEEE C=CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1705814478 QHMLTWZAUKBBLQ-MRXNPFEDSA-N 473.375 2.129 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1)C(C)C 1705869309 RGUXUPYPLFBKOI-JQVVWYNYSA-N 464.611 2.321 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1705912810 VDYMXWWBEVRERU-ZVDOUQERSA-N 468.602 2.388 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(CCN2[C@@H](C)CC[C@@H]2C)CC1 1705935293 MSCQRUSSBFWRKE-SFTDATJTSA-N 480.723 2.462 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCc2c(cccc2OC)C1 1705938438 YTFKTBNIEVKQJN-UHFFFAOYSA-N 470.599 2.312 30 10 JEEE CCN(CCn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1)C(C)C 1710147965 AHQNMBZCJFSERA-UHFFFAOYSA-N 459.620 2.019 30 10 JEEE CCNC(=O)C1(Cn2c(COc3ccccc3CC)nnc2N2CCO[C@H](C#N)C2)CCC1 1710321577 AVEMYWBKLAFOPI-LJQANCHMSA-N 452.559 2.455 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@@](C)(OC)C2CC2)c1 1722306415 RRUVRZFRXJWVSS-RUZDIDTESA-N 464.570 2.385 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1722370185 AEFSHBVDZWQLHE-RTBURBONSA-N 479.647 2.407 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@]1(N2CCOCC2)CCSC1 1722375630 REKUJNCPTVKQMW-RUZDIDTESA-N 481.622 2.243 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2ccc(F)cc2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1722383757 NIMOEDULFAFMGD-UHFFFAOYSA-N 462.529 2.336 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCCSc2nccs2)CC1 1722440462 HISCTTGAFIHQFE-ROUUACIJSA-N 462.645 2.396 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CSc3ccc(C)cc3)n2CCC(=O)N(C)C)CC1 1722451136 XYYLIPKYZKPXAC-UHFFFAOYSA-N 468.627 2.323 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)NC)CC1 1722494431 MJTXKDQMUBCZPE-PKOBYXMFSA-N 455.519 2.296 30 10 JEEE C=C(C)CN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1722517711 MVPCNVGBBRXRHH-LJQANCHMSA-N 488.662 2.136 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1722536143 CALSTFNMYFMBAG-MZYLBHOOSA-N 474.650 2.144 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1722591017 KINZQMQQQQHFGR-LJQANCHMSA-N 490.605 2.482 30 10 JEEE C=CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1722602976 MQKLQBLDCWJKHX-KRWDZBQOSA-N 495.675 2.065 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(O)cc1 1722677310 ZTOXGKJQBXFEDC-OAQYLSRUSA-N 487.582 2.193 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](C)N(C)C 1722682047 WQQTVQRMBWSYAK-ZWKOTPCHSA-N 452.600 2.175 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(F)cc2Br)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1722695801 QMQDATOEQBJMOQ-IRXDYDNUSA-N 491.365 2.396 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H](c2ccco2)C1 1722737236 XSGXWTHZLAENKS-AOIWGVFYSA-N 450.561 2.190 30 10 JEEE CC(C)(C)S(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@](F)(C#N)C1 1723018791 DOBICBSWJFVJCK-NRFANRHFSA-N 460.535 2.384 30 10 JEEE CC(C)OCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCOC[C@H]2C)CC1 1723729565 GWMNIRQBPHIFEP-OAQYLSRUSA-N 467.618 2.084 30 10 JEEE CC[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CC#N)Oc1cccc(F)c1 1727266578 HKZJJMBYSCXJOL-YVWKXTFCSA-N 494.593 2.346 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCNC(=O)C(C)(C)C 1740547843 BLVHNPFLYYHOLA-IAGOWNOFSA-N 462.595 2.207 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC(C)(C)c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1740622156 VTKDIVITNMAHNJ-HXUWFJFHSA-N 470.574 2.422 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@]1(N2CCOCC2)CCSC1 1740632854 PXJKLCWKWHQXMD-NRFANRHFSA-N 489.443 2.316 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCC=CO1 1740685936 NJSPAAXLPHSQBU-RTBURBONSA-N 461.563 2.365 30 10 JEEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@H](C(C)C)N2CCOCC2)CC1 1740698916 PWSGBBBUAXWPIS-RUZDIDTESA-N 480.657 2.184 30 10 JEEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2C[C@@]2(O)CCOC2)CC1 1740699810 UVOXAFPDUZTQQH-VWLOTQADSA-N 453.587 2.196 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCSCC#C)CC1 1740702636 UPSYQPBYLQXZSO-UHFFFAOYSA-N 499.040 2.194 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CC1CCN(c2ccncc2)CC1 1740725808 UZCKQPVZQKMXIT-FDDCHVKYSA-N 471.631 2.192 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nccnc2C)CC1 1740850617 IATDUWHXUPRDPY-SFHVURJKSA-N 459.620 2.208 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@H](Oc2ccccn2)C1 1740963907 APCQBZKBOQEPES-IBGZPJMESA-N 452.490 2.351 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1740992901 PFWSSJAETYLCGF-UHFFFAOYSA-N 495.584 2.202 30 10 JEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1741003571 XPIXYGHFRZMMKD-HOTGVXAUSA-N 469.658 2.442 30 10 JEEE CC(C)(C)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCNS(=O)(=O)Cc2ccon2)CCO1 1741179251 AEYDQRULUJOTFA-FQEVSTJZSA-N 499.597 2.176 30 10 JEEE CC(C)COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCO[C@@H]2C)CC1 1741576150 BSGRGADJQXRQRM-HOYKHHGWSA-N 468.558 2.271 30 10 JEEE CCN(C)C(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@](C)(C#N)C1 1745878204 FIHMEVZPZPUNOG-JOCHJYFZSA-N 457.966 2.470 30 10 JEEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1748734161 AEPFKBUTTZNZDL-KRWDZBQOSA-N 462.572 2.398 30 10 JEEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CCc1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 1748804466 IDQGSBXNCZXREX-RCZVLFRGSA-N 486.638 2.497 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC2CCCC2)cc1 1748857800 DWNKUZUIYIIHNY-QHCPKHFHSA-N 497.621 2.054 30 10 JEEE C=C(C)COCCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1749228956 FXDVJXCMMFNTAT-APWZRJJASA-N 450.561 2.253 30 10 JEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cc(C)nc(N3CCCC3)c2)CC1 1749286792 RKIKVTBYMBWCKN-SFHVURJKSA-N 459.620 2.397 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2c(c1)[C@H](C)[C@@H](C)O2 1749487030 AKEOPNCAMQBRLQ-QINHECLXSA-N 461.588 2.166 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCOC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1749546553 AISPQROIPHRAGJ-AVRDEDQJSA-N 464.563 2.053 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c(C)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1)C(C)C 1749553773 VTVFTSSOSVJLAH-RTWAWAEBSA-N 450.653 2.289 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1749650271 PTQYVSVXODPIIL-RUZDIDTESA-N 482.585 2.224 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)Cc1ncc(CC)s1 1749655977 WAJVZZLVGBZAAC-UHFFFAOYSA-N 474.612 2.306 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCCN(C(=O)c2cccc(F)c2)CC1 1749663967 CLPAALFXHJBXNE-UHFFFAOYSA-N 465.533 2.077 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@@H](CNC(=O)CCC)C1 1749670427 TUNBQSGXINWACX-GHTZIAJQSA-N 482.585 2.226 30 10 JEEE C=CCNC(=O)Cn1c(N2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)nnc1[C@@]1(OCC)CCOC1 1749681964 LJQITTBPFWXJLN-GDIGMMSISA-N 458.390 2.253 30 10 JEEE C=CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1749746466 ZDKNXMYUNGFGRN-LJQANCHMSA-N 472.640 2.444 30 10 JEEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCN2S(C)(=O)=O)C[C@H](C(F)(F)F)O1 1752321025 HYPZSGSQOXDDKA-ZTFGCOKTSA-N 498.531 2.397 30 10 JEEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1760146185 FQJZKCDDWNFIOE-INIZCTEOSA-N 464.389 2.086 30 10 JEEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCc2ccccn2)cc1 1760175914 VDMCZSLXVOJRAW-LJQANCHMSA-N 451.552 2.272 30 10 JEEE C#CCN(c1nnc(-c2ccc(OCC)c(OC)c2)n1Cc1cnn(CC)c1)[C@@H]1CCS(=O)(=O)C1 1760184529 JDQCTYUQBKVHDV-HXUWFJFHSA-N 498.609 2.244 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CCN(C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1760188823 DHUPGLOTHYRZNM-QFIPXVFZSA-N 464.595 2.027 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1CCOCc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1760189948 SLBWMJVVGDAFFB-NRFANRHFSA-N 481.578 2.192 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1760246488 YWKPWKGVTLRHIZ-FCHUYYIVSA-N 482.610 2.107 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCC2CCCC2)CC1 1760269412 HQXFWQGABGESOW-HXUWFJFHSA-N 461.632 2.116 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CCN(C(C)C)C(C)C)CC1 1760271523 ALVWVEJSBFGRCY-UHFFFAOYSA-N 451.619 2.349 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCN(c2ccccc2OC)C1 1760288629 HOLWWVZCGRNQIA-AXHZCLLHSA-N 486.642 2.416 30 10 JEEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](c2nccs2)C1 1760299617 BDOWXTCPHQQXNN-CYBMUJFWSA-N 453.366 2.457 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1760554184 UQNJGOJNLJUDQL-HXUWFJFHSA-N 497.625 2.036 30 10 JEEE CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCOC[C@@H]2OC)CCN1CCOC 1765246216 DVKJACYBSZMPHA-ZRBLBEILSA-N 468.602 2.415 30 10 JEEE CCO[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCn2cc(Br)cn2)CCOC1 1767438317 FCZMSTANUCSPJG-ZWKOTPCHSA-N 468.331 2.031 30 10 JEEE CNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@@H]2CCO[C@H](C)C2)CC1 1767837990 FTZLIIPXIJVVKT-RTBURBONSA-N 467.574 2.395 30 10 JEEE CN(c1nnc(COc2ccc(C#N)cc2)n1CCc1nccs1)[C@H]1CCS(=O)(=O)C1 1768576005 FOKGICNAMPMBDE-INIZCTEOSA-N 458.569 2.051 30 10 JEEE N#CC1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1770740483 HHEZDUVIVUNIKU-QGZVFWFLSA-N 486.417 2.059 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(O)c(O)c2)cc1C 1862403576 ZQGYTSSEGIFSOQ-JOCHJYFZSA-N 468.506 2.325 30 10 JEEE C=CCNC(=O)C1=C(N)Oc2c(c(C)nn2C)[C@H]1c1ccc(OCC(=O)N(CC)CC)c(OCC)c1 1864770420 GUAGGOFPALJJRK-JOCHJYFZSA-N 497.596 2.371 30 10 JEEE C[C@H](NC(=O)C[C@@H](c1cccc(Br)c1)c1nn[nH]n1)C(=O)Nc1ccccc1C#N 1867246770 JTKGHOOXUARLOA-LRDDRELGSA-N 468.315 2.499 30 10 JEEE C=CCn1cc(OCC(=O)NC[C@@H]2CCCO2)c(=O)cc1CNc1cc(OC)cc(OC)c1 1870983378 SQRVYIXBRZRRPD-IBGZPJMESA-N 457.527 2.338 30 10 JEEE CCN(CC)c1ccc(/C=N/n2c(SCC(N)=O)nnc2[C@@H]2CC(=O)N(C(C)C)C2)cc1 1874337808 KNOPNIGMCSCFQF-FQIOEHTJSA-N 457.604 2.308 30 10 JEEE NC(=O)CSc1nnc(CCc2cccs2)n1/N=C/c1cc2c(cc1[N+](=O)[O-])OCCO2 1874370754 OWNAILMRSCGXCT-UFFVCSGVSA-N 474.524 2.264 30 10 JEEE CC(C)N1C(=O)CS[C@H](C(=O)N2CCC(C[C@H]3NC(=O)N(C)C3=O)CC2)[C@@H]1c1ccc(C#N)cc1 1890121950 RVDJMRBEROCIMR-HJNYFJLDSA-N 497.621 2.131 30 10 JEEE CC(=O)NC12C[C@H]3C[C@@H](C1)CC(C(=O)N1CCC(OCC#CCN4CCN(C(C)C)CC4)CC1)(C3)C2 1890428132 QXKSJNAMBUILND-UXRGOTNFSA-N 498.712 2.499 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H](C(=O)NCc2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2180991728 QMNLIOQTOZVASL-HKUYNNGSSA-N 460.380 2.220 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](c2nc(=NCc3occc3B3OC(C)(C)C(C)(C)O3)[nH][nH]2)C1 2185280328 VYHXPVNZWHSKCA-AWEZNQCLSA-N 459.356 2.455 30 10 JEEE C=C[C@@]1(CO)COCCN1C(=O)c1cc(Br)ccc1I 2199859946 HTYVFCQTXGNZHH-CQSZACIVSA-N 452.086 2.443 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2CC[C@H](OCCNC(=O)OC(C)(C)C)C2)C1 2255147543 DSEPKXSLWWGUMF-BNGSBABLSA-N 451.564 2.435 30 10 JEEE C[C@H]1CC[C@@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)N(C(=O)OC(C)(C)C)C1 2256623071 PGHNKKVGWWCBHZ-STQMWFEESA-N 452.386 2.233 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)CC[C@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2256678049 KHNQJCPXOBMYHZ-STQMWFEESA-N 453.370 2.141 30 10 JEEE Cc1sc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2O)cc1B1OC(C)(C)C(C)(C)O1 2267118343 JWCLZAYJJHWYOT-CVEARBPZSA-N 466.409 2.456 30 10 JEEE CO[C@H]1C[C@H](CNC(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)N(C(=O)OC(C)(C)C)C1 2267288050 YFROSAMHOBMFIN-CABCVRRESA-N 450.341 2.333 30 10 JEEE Cc1ccc(S(=O)(=O)NCCCONC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2267351569 AGJMMPWTEBEAAV-UHFFFAOYSA-N 470.397 2.419 30 10 JEEE Cc1sc(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)cc1B1OC(C)(C)C(C)(C)O1 2267549002 WNUWVWJWMOBASC-GDBMZVCRSA-N 466.409 2.313 30 10 JEEE CC(C)(C)OC(=O)NCC1CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2267705744 LJTZVCFEEMTCJB-UHFFFAOYSA-N 470.372 2.270 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2Cl)C1 2267727950 MTXGXUOBTJAELG-IAGOWNOFSA-N 466.771 2.349 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2268630797 PCMXUHKSXKNCQR-HNNXBMFYSA-N 451.304 2.094 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@H]2[C@@H]1[C@H]2C(=O)NCc1sccc1B1OC(C)(C)C(C)(C)O1 2268721462 LMCYSHBHUIJKSP-IXDOHACOSA-N 464.393 2.298 30 10 JEEE CN(C)CCN(CC(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(=O)OC(C)(C)C 2268723498 VGECQTMLJKLJQN-UHFFFAOYSA-N 467.441 2.462 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C(=O)OCC)C1 2281227363 GTIWJOUFDHUWML-COYMHYPVSA-N 479.574 2.304 30 10 JEEE Cc1c(C(=O)N2CCN(C(=O)OC(C)(C)C)CC23CC3)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281791499 DYCTYYYZWVIVOD-UHFFFAOYSA-N 460.384 2.253 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2281793100 ZTZCUENHDSGUGC-MRXNPFEDSA-N 464.343 2.491 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H]2CCN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)C[C@H]2C1 2281978827 JENFREWJJWURRI-CVEARBPZSA-N 460.384 2.428 30 10 JEEE CCN(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)c(C)nn1C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2281981739 IUTOJQFJPSLTOL-MRXNPFEDSA-N 462.400 2.499 30 10 JEEE CN(C[C@@H]1CCCN(C(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)C1)C(=O)OC(C)(C)C 2281982855 WXUHYUPPBQRSRA-INIZCTEOSA-N 462.400 2.438 30 10 JEEE CCn1cc(C(=O)NCC2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)nc1B1OC(C)(C)C(C)(C)O1 2282034972 OWKPXTMIPVVWEH-HZPDHXFCSA-N 460.384 2.045 30 10 JEEE CC1(C)OB(c2c[nH]c(C(=O)NC[C@]34CN(Cc5ccccc5)C[C@@H]3CCO4)c2)OC1(C)C 2282208281 IDWABVJDIOOIMV-DFBJGRDBSA-N 451.376 2.335 30 10 JEEE C[C@@H](CCCN(C)C(=O)OC(C)(C)C)NS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282503627 CNVAJIDMQMUXGJ-HNNXBMFYSA-N 486.444 2.033 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@@H](C2CN(C(=O)OC(C)(C)C)C2)C1 2282535205 KYYQVGJSYLHPBE-OAHLLOKOSA-N 460.384 2.048 30 10 JEEE Cn1cc(C(=O)NCC2CC3(C2)CN(C(=O)OC(C)(C)C)C3)nc1B1OC(C)(C)C(C)(C)O1 2282551604 KUMYIGVTOQQIOZ-UHFFFAOYSA-N 460.384 2.096 30 10 JEEE Cc1c(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]2C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282555720 XRIQJQWIYDNNRI-JKSUJKDBSA-N 462.400 2.498 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N=[S@](C)(=O)C[C@H](C)NC(=O)OC(C)(C)C 2282581851 NTMFLTKVNRHOMR-ADAWPZLVSA-N 484.428 2.179 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)n1 2282590844 HRKUYUWLGUGCMC-YQQAZPJKSA-N 460.384 2.187 30 10 JEEE CN(C(=O)OC(C)(C)C)[C@H]1CCCN(S(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282830575 WQLVHDQFSVNWLJ-KRWDZBQOSA-N 481.424 2.401 30 10 JEEE COC(=O)c1ccc([C@@H]2C(=C(O)c3cccs3)C(=O)C(=O)N2[C@H]2CCS(=O)(=O)C2)cc1 2296559549 PUAHSSGMDPQGAD-WMLDXEAASA-N 461.517 2.144 30 10 JEEE Cn1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H]3CNC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2359268603 XXHRBKQDSSIVGA-UXLLHSPISA-N 460.384 2.237 30 10 JEEE C[C@@H]1C[C@H](CNC(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)CCN1C(=O)OC(C)(C)C 2362357310 YEFQBMSOZAZEOM-HZPDHXFCSA-N 462.400 2.485 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H]3CN(Cc4ccccc4)C[C@H]3C2)n1C 2362437963 KLZCSXWCTPJAGH-PMACEKPBSA-N 450.392 2.232 30 10 JEEE C=CCOc1ccccc1[C@@H]1c2c(nc(N3CCC(C(=O)OCC)CC3)[nH]c2=O)NC(=O)[C@H]1C#N 72444779 RAUHWOTVVIKBNG-HKUYNNGSSA-N 477.521 2.338 30 10 JEEE C#CCn1/c(=N\C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)sc2cc3c(cc21)OCO3 101132754 KQTZGNCABFBCNR-LBVBEYCISA-N 475.573 2.407 30 10 JEEE C=C1C(=O)O[C@H]2/C=C(\C)[C@@H](OC(C)=O)C/C=C(\COC(C)=O)C[C@@H](OC(=O)/C(C)=C/CO)[C@@H]12 156890536 HPWMABTYJYZFLK-VMGPSJCTSA-N 462.495 2.096 30 10 JEEE C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(Oc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CC1 204865276 RPPXWUURWFEKMY-OAHLLOKOSA-N 476.383 2.059 30 10 JEEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CCC(=O)N(CCCC)[C@@H]2c2ccc(OC)cc2)CC1 516388894 XWRSQMBNIXXFNK-RCZVLFRGSA-N 470.614 2.221 30 10 JEEE C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)OCC(=O)N1CCC[C@@H](C(F)(F)F)C1 919014345 QQNUDIHORWWTPJ-QRQCRPRQSA-N 479.455 2.496 30 10 JEEE C=CCN(C(=O)[C@H]1CC[C@@H](C(=O)OC)O1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 1124608380 KNAVJJINXMVJBT-SJORKVTESA-N 450.538 2.453 30 10 JEEE C#CCC1(NC(=O)CCc2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2CC)CCC1 1134194400 VUTHKQGPAJWUBR-UHFFFAOYSA-N 458.584 2.072 30 10 JEEE CC#CCS(=O)(=O)c1cccc(C(=O)NCc2ccccc2OCCN2CCOCC2)c1 1142423442 AOIIOAGZNPLYFP-UHFFFAOYSA-N 456.564 2.125 30 10 JEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1C[C@]1(O)CCSC1)[C@H]1CCS(=O)(=O)C1 1286384490 RAUNMMPQNYVMIV-FXAWDEMLSA-N 467.016 2.093 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2CC[C@H](C(F)F)N2CCOCC2)CC1 1286484561 QUNWLDPTGJRTPV-OAQYLSRUSA-N 492.546 2.107 30 10 JEEE C=C(Br)Cn1c(Cc2ccccn2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1286544387 HIAIJNRORJBIAG-KRWDZBQOSA-N 481.420 2.177 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCOC[C@H]1OC 1286766388 QJRQBRCLECZKLQ-QWFCFKBJSA-N 464.588 2.060 30 10 JEEE C=CCNC(=O)Cn1c(N2CCN(c3cccc(C)c3C)CC2)nnc1[C@@]1(OCC)CCOC1 1286793456 FFMJUFBTHKFUMV-RUZDIDTESA-N 468.602 2.176 30 10 JEEE CC(C)NS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCSC2(CCOCC2)C1 1288268103 BJSQRRVVZGOZFB-UHFFFAOYSA-N 490.655 2.247 30 10 JEEE CCC(O)(CC)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1292271548 BRRFEZCYIOBBNE-FQEVSTJZSA-N 452.559 2.195 30 10 JEEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)Cc2ccccc2C)CC1 1300371294 BDYXUXJLDRHTQI-UHFFFAOYSA-N 462.598 2.404 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCC(=O)N1CCCCC1 1300643636 UATSXQDEZFZGEY-GOSISDBHSA-N 490.605 2.070 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC1(N(C)C)CCOCC1 1300665310 YMCVXOVATXLYOY-UHFFFAOYSA-N 463.586 2.328 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H](C)CNC(=O)OC(C)(C)C)CC1 1300685919 UZIWZBHZDMXPFS-NBGIEHNGSA-N 490.649 2.235 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@](O)(c2ccccc2)C(F)(F)F)CC1 1300727458 YFLDBWUPVOWMFL-MBSDFSHPSA-N 491.514 2.198 30 10 JEEE C#CCSCCn1c(-c2ccccc2OC)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1300754226 MCYKWYLBGAAGOR-UGKGYDQZSA-N 482.654 2.309 30 10 JEEE C=CCCCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1301185799 KWFWAZBYZOKYJM-INIZCTEOSA-N 464.592 2.128 30 10 JEEE COCC[C@@](C)(O)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1301449043 ICVISHFHEMXSKM-FDDCHVKYSA-N 474.993 2.421 30 10 JEEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ncc(Cl)cc2Cl)CC1 1301459176 UFJQFJWDRRCBNY-CYBMUJFWSA-N 457.387 2.395 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[C@H]1[C@H]1CCCO1 1301483307 NRHDWNAYIXNSRI-ZWKOTPCHSA-N 471.558 2.421 30 10 JEEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccc1F 1301612294 KXNSYWHYJHKHCX-SFHVURJKSA-N 469.608 2.306 30 10 JEEE CC(C)(C)S(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1302313031 GLEGNSUAISVHMQ-UXHICEINSA-N 473.599 2.414 30 10 JEEE CC(C)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(C#N)c1)N1CCOCC1 1302522320 DYODSOFCCYAHMO-YADHBBJMSA-N 486.642 2.045 30 10 JEEE C[C@H](CN1CCCC1)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cccc(C#N)c1 1303744948 FTXNOOPIHOHTAI-QZTJIDSGSA-N 459.620 2.128 30 10 JEEE Cc1ccc(C(C)C)c(OCc2nnc(N3CCO[C@H](C#N)C3)n2CC2(C(N)=O)CCOCC2)c1 1304271266 HGSZZGRUWAZAGA-LJQANCHMSA-N 482.585 2.300 30 10 JEEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CCCO1 1305153428 CLEFHKIFGOIHFE-DENIHFKCSA-N 465.602 2.375 30 10 JEEE CN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 1314638600 GVVTWXBQEYNNPV-SFHVURJKSA-N 453.547 2.398 30 10 JEEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CC[C@H](C(F)F)N1CCOCC1 1358896385 BYNHFWKCEPXUTL-JKSUJKDBSA-N 466.558 2.084 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCN1CCCCCC1)[C@@H]1CCS(=O)(=O)C1 1358959512 KKXBGPKCKLBDAM-JOCHJYFZSA-N 466.611 2.319 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCOC[C@@H]1CCOC1 1358979016 AGUWEEALGHDVFZ-SFTDATJTSA-N 487.601 2.103 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](C)N(C)C1CC1 1358991912 TXAQZDOYEPBGQN-SFHVURJKSA-N 453.616 2.184 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccnc1OC 1359017098 UELNOTPSNRFDNQ-LJQANCHMSA-N 469.542 2.411 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CC(F)(F)CO1 1359025170 FSLWBPXOSATIEM-IAGOWNOFSA-N 485.532 2.097 30 10 JEEE C#CCN1CCN(c2nnc(CCN3CCN(c4ccccc4)CC3)n2C[C@H](OC)C(C)C)CC1 1359037923 DEZKNFDAERHXAN-VWLOTQADSA-N 479.673 2.069 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)COC)CC1 1359096254 YQSKOGMYRXAOHC-PXNSSMCTSA-N 460.966 2.270 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](CC(C)C)C1 1359099517 PJFPTVPKTJKCFR-BQJUDKOJSA-N 481.663 2.465 30 10 JEEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)Nc2ccccc2CC)CC1 1359121790 JDRJUCWBFJAOKV-FQEVSTJZSA-N 486.642 2.079 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@]2(OCC)CCOC2)n1CC(=O)N1CCOCC1 1359262397 RYSXXXPSRJYUTP-QFIPXVFZSA-N 461.588 2.043 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CC(=O)N(c2ccccc2)C1 1359272561 WPRRZDQBADDQOG-RBUKOAKNSA-N 455.584 2.412 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(C2CCC2)CC1 1359300208 WKCXFXCXWCFDOO-IBGZPJMESA-N 487.649 2.369 30 10 JEEE C=CCSCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@](C)(C(N)=O)C1 1359337509 UJWMYIXUKKJTHH-NRFANRHFSA-N 477.660 2.168 30 10 JEEE CC(C)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCN(C)C(C)(C)C2)CC1=O 1360017663 ICXJEZUPWCBPAY-UHFFFAOYSA-N 478.645 2.147 30 10 JEEE C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@H](Cc2ccccc2)CN2CCOCC2)cc1 1476412674 GCRCHTOIFRGILM-NQIIRXRSSA-N 456.568 2.437 30 10 JEEE CCN(CC)C(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCOC2=O)CC1 1501789836 FQEWKSLCJJHXME-UHFFFAOYSA-N 480.573 2.243 30 10 JEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1C[C@@]1(O)CCSC1)[C@H]1CCS(=O)(=O)C1 1507634143 LGOMNHBQIQEUJF-RXVVDRJESA-N 481.043 2.017 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@H](C)CN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1507640641 VBOYEJKGOZVVAO-IFMALSPDSA-N 496.637 2.087 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1Cc1ccn(C)n1 1507667064 ISUHOEGAMIMFCC-UHFFFAOYSA-N 454.538 2.310 30 10 JEEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC(CN2C[C@H](C)O[C@H](C)C2)CC1 1507749887 ALYXKKBFYORXSY-KDURUIRLSA-N 457.648 2.371 30 10 JEEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2nccc(OC)n2)CC1 1507792544 ZVTINTXOGMCWIU-RDJZCZTQSA-N 494.394 2.036 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1507796413 AFBNSGZJFRSFSA-REWPJTCUSA-N 484.649 2.040 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCn1cc(Br)cn1 1508018592 GREADJJOVOEBRD-AWEZNQCLSA-N 455.382 2.018 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 1508084031 FRQPKMUUWTWNEQ-IBGZPJMESA-N 492.628 2.198 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCC1(O)CCOCC1 1539003781 QMFCLALSPDOAAZ-KRWDZBQOSA-N 450.543 2.064 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@]2(O)CCCC2(C)C)c1 1539042809 JIVIGFIBNHPKSN-DFBJGRDBSA-N 464.570 2.227 30 10 JEEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)Cc2cccc(OC)c2)CC1 1539119701 MKANXMKLIBGFDG-OAQYLSRUSA-N 451.571 2.485 30 10 JEEE C=C(Cl)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@H](COCCOC)C1 1539793432 DPIDRYMMGGZSFZ-INIZCTEOSA-N 469.011 2.480 30 10 JEEE C=C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](N2CCOCC2)C(F)(F)F)CC1 1539830401 UZYRHKHQDSPBEB-INIZCTEOSA-N 465.480 2.345 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCCOC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1540186956 JLROURZLEXKQJK-OALUTQOASA-N 463.604 2.282 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC(NC(=O)C2CC2)CC1 1540864840 MLTLQBURJQDRDB-UHFFFAOYSA-N 474.512 2.344 30 10 JEEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(Cc2ccccn2)n1CC(C)(C)CN(C)C 1544581871 AQXSENJWXRHMPH-LJQANCHMSA-N 474.617 2.228 30 10 JEEE Cc1noc(C)c1S(=O)(=O)N1CCN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@H]1C(=O)NC1CC1 1548369467 HCRYMXVRMKMZSJ-SFHVURJKSA-N 497.499 2.340 30 10 JEEE N#Cc1cc(F)c(S(=O)(=O)N2CCN([C@H](C(N)=O)c3ccc(Cl)cc3)CC2)c(F)c1 1561458040 AQAGLYIVLMWILC-KRWDZBQOSA-N 454.886 2.023 30 10 JEEE C#CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCS(=O)(=O)CC=C 1587984611 GVFVARFMVOODBM-UHFFFAOYSA-N 451.593 2.063 30 10 JEEE C#CCN(c1nnc([C@@H](C)OCCOC)n1Cc1cccc2cccnc12)[C@H]1CCS(=O)(=O)C1 1588034297 CTSQJECWCOELDS-NQIIRXRSSA-N 483.594 2.225 30 10 JEEE C#CCN1CCN(c2nnc(CCN3CCN(c4ccccc4)CC3)n2C[C@@H](OC)C(C)(C)C)CC1 1588858007 WRKNCSRQOQQISN-RUZDIDTESA-N 493.700 2.459 30 10 JEEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 1589089241 NTKHZMOKBNIMLN-NRFANRHFSA-N 488.683 2.461 30 10 JEEE C#CCSCCn1c(N2CCN(Cc3cccc(F)c3)C(=O)C2)nnc1[C@]1(OCC)CCOC1 1589124881 DBKPVYSXUUJJEP-DEOSSOPVSA-N 487.601 2.285 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N(C)CC(=O)N1CCOCC1 1589505801 OLPZPDNNJFZIBH-WZONZLPQSA-N 485.585 2.239 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccc(F)cc2)nnc1N(C)CC(=O)N1CCOCC1 1589546166 PRZBDAVLVJKFEU-AUSIDOKSSA-N 457.550 2.284 30 10 JEEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H](C)CS(=O)(=O)CC 1593637130 XOMBJBZBKNMLGO-SJORKVTESA-N 471.624 2.422 30 10 JEEE C=CC[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCS(C)(=O)=O)c1ccccc1 1594545531 UIISSKNCTCNKDI-MOPGFXCFSA-N 466.629 2.021 30 10 JEEE CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1Cc1cccc(OC)c1 1616910486 FOXQKXKCBNEMSC-UHFFFAOYSA-N 450.547 2.112 30 10 JEEE C#CCN1CCCN(C(=O)[C@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc(F)cc2)CC1 1618030014 PSTJSOYLABOKGO-HSZRJFAPSA-N 455.555 2.109 30 10 JEEE C=CCCn1cc(C(=O)N2CCN(CC(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)nn1 1624352135 VRKHSVXBZPTHES-UHFFFAOYSA-N 452.437 2.149 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1Cc1ccc(OC)nc1OC)[C@H]1CCS(=O)(=O)C1 1689982821 VLBKSYZQXBXOOG-IBGZPJMESA-N 497.577 2.041 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2ccc3c(c2)OC(C)(C)O3)CC1 1690112093 PNOLQILXEASVPP-GOSISDBHSA-N 455.559 2.313 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccccc2OCC=C)CC1 1690141937 FWNFIUCMURIFOI-UHFFFAOYSA-N 459.554 2.258 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@H](c2cccs2)N(C)C)CC1 1690146000 CSTUNFXAQKFXKG-RBUKOAKNSA-N 456.616 2.112 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC2(CC1)COC(=O)N2)C(C)C 1690581123 LDRAOVHLTGRWMN-RTBURBONSA-N 471.606 2.007 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1690662199 UJSBRHZWHIFCFV-UHFFFAOYSA-N 494.506 2.442 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC(C)(C)C(=O)NC)C1 1690700189 OQISUYNRRJCLDH-ZWKOTPCHSA-N 492.621 2.140 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1690719401 LQOPTFUXUYYFHE-HNNXBMFYSA-N 498.005 2.485 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1690724170 JIOGRMQBGHZHTP-UHFFFAOYSA-N 463.579 2.460 30 10 JEEE CCN1CCN(C[C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2C[C@@H](COC)O[C@H](C)C2)CC1 1695897202 GKMYBKZRMGQBIU-IMSXRSKXSA-N 481.645 2.330 30 10 JEEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCCO[C@H](C)C2)CCO1 1697888309 CULKTANPKJESNY-KNQAVFIVSA-N 454.575 2.169 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CCCN1CCCO 1705504978 FRVMQNZWRYNKBT-ZRNYENFQSA-N 460.623 2.354 30 10 JEEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cccc(NC(=O)[C@H]2CCCO2)c1 1705559088 QPQSHAKHSBJAKO-TYPHKJRUSA-N 453.543 2.237 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCCCN1CCCC)[C@H]1CCS(=O)(=O)C1 1705567098 TZSHACXQXRTQOH-FSSWDIPSSA-N 477.675 2.453 30 10 JEEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCN(C(=O)OCC(C)C)CC1 1705659452 WNOIFIPVCFDOGY-UHFFFAOYSA-N 474.587 2.287 30 10 JEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 1705739708 OFFGEAKDELTUTM-UHFFFAOYSA-N 472.615 2.326 30 10 JEEE C=CCNC(=O)Cn1c(N2CCO[C@@H](c3ccc(F)c(F)c3)C2)nnc1[C@]1(OCC)CCOC1 1705909097 MTENICOUAPCCGO-XXBNENTESA-N 477.512 2.089 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(NC(=O)C2CC2)CC1 1705933761 QWJBLWGXFPVCIM-UHFFFAOYSA-N 479.006 2.089 30 10 JEEE CCOc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1CCN1CCOCC1(C)C 1710568356 BEHKFQHDPGRHLQ-LJQANCHMSA-N 470.574 2.095 30 10 JEEE CO[C@@H]1COCC[C@H]1Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N(C)[C@@H](C)CC#N 1712095961 CXJKXLJWZUBPEZ-WPFOTENUSA-N 481.645 2.433 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CCOCC(=C)C)c1 1722306430 RXLQNQQLWYLXKN-UHFFFAOYSA-N 450.543 2.163 30 10 JEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(=O)c2ccsc2)CC1 1722308643 PAEBRLIJHQNJCJ-MRXNPFEDSA-N 478.644 2.152 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@H]1CCCN(C(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1722364038 DLKGVJYMKWVAJI-FCHUYYIVSA-N 470.643 2.011 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2CSCCS2)CC1 1722443298 GGYRHAFSCHQRNY-CVDCTZTESA-N 493.699 2.133 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2C[C@@H]2CCCN2c2cc(NC)ncn2)CC1 1722446965 FDPDHFYUNZKMDR-FQEVSTJZSA-N 493.660 2.333 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1722700792 USULQPOBBQEWJQ-QGZVFWFLSA-N 458.538 2.414 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2nc3cc(OC)ccc3n2C)C1 1722709760 XOBGOZVEQHIFJH-QGZVFWFLSA-N 453.547 2.141 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H]1c1ccc2c(c1)OCCO2 1722724611 BGIBULTYUYCJLY-GOSISDBHSA-N 489.598 2.130 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCOc1ccc(F)c(F)c1 1723941155 GFFPLFKVKPLAIP-VBKZILBWSA-N 468.530 2.376 30 10 JEEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCS(C)(=O)=O)C[C@@H](C(F)(F)F)O1 1726670557 FVTLWVOTHAITQN-BBRMVZONSA-N 457.478 2.407 30 10 JEEE CCOC1CC(CCn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N2CCO[C@H](C#N)C2)C1 1728912952 DRYYLNPFJLRMCF-LYBXBRPPSA-N 488.614 2.129 30 10 JEEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](n2cncn2)C1 1740590133 FPESNQSAMMAOCT-RBUKOAKNSA-N 470.578 2.433 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCCN(C)CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1740618096 BZFBJARBKJRSQR-INIZCTEOSA-N 473.521 2.357 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1ccccc1COC)[C@H]1CCS(=O)(=O)C1 1740626893 WUKALCSWOLSRSV-QFIPXVFZSA-N 465.579 2.085 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1740629088 AARRYNMYTJFZAK-LJQANCHMSA-N 454.575 2.234 30 10 JEEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](CC)N1CCc2ccccc2C1 1740661898 LZSYSHVJRVAXIO-RXVVDRJESA-N 458.632 2.185 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)N[C@H](C)c1ccccc1 1740671772 OCBOIPQPLVBIBT-TZIWHRDSSA-N 488.658 2.200 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN1CCCCCC1 1740684649 XUJYRQROGGRDPU-UHFFFAOYSA-N 463.586 2.154 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[S@@](=O)C(C)(C)C)CC1 1740703274 MHGLDKKYCRKPDB-UUWRZZSWSA-N 486.598 2.366 30 10 JEEE C#CCSCCn1c(-c2cccnc2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1740715190 UDNKWGMQQJHREJ-UHFFFAOYSA-N 467.643 2.231 30 10 JEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)NCc2ccc(F)cc2)CC1 1740716353 QGILHRFRSKJMTP-FQEVSTJZSA-N 484.601 2.268 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCn1cc(C)cn1 1740727023 WXCOKUPTULIDCG-HSZRJFAPSA-N 467.599 2.393 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2ccccc2)C[C@H]1C 1740794824 IRPFHDGNJVQDHX-IFMALSPDSA-N 473.643 2.484 30 10 JEEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CCO[C@H](c2noc(C)n2)C1 1740962505 FYVGFFGLKAQLHN-IBGZPJMESA-N 451.531 2.025 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCN2CCN(C)C(C)(C)C2)C1 1740972391 HPMSORRFJWPDII-PXDATVDWSA-N 476.666 2.126 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)CC(C)(C)C 1740990013 GBVGCDCFAZGEQH-UHFFFAOYSA-N 468.649 2.321 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCOc2ccccc2)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1740993864 FFZROTYPFBXPEV-UXHICEINSA-N 459.616 2.173 30 10 JEEE C=CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(CC(=O)NC(C)C)CC1 1740997978 GFRQKWXJILXEQU-UHFFFAOYSA-N 486.642 2.282 30 10 JEEE C[C@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(C[S@](C)=O)cc1 1741123482 DEESDZBJPWNBEU-FTDQSSOUSA-N 451.556 2.448 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccccc1CN1CC[C@H](O)C1 1748646509 AGGCBQJPMJOLKX-JTJYXVOQSA-N 453.587 2.003 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H]1CCCN(C(C)=O)C1 1748665486 RORDOWXQHYQLHD-HKUYNNGSSA-N 461.570 2.391 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1oc(CCC)nc1C)[C@H]1CCS(=O)(=O)C1 1748816920 BAOKGKKZYVRCRR-MSOLQXFVSA-N 461.588 2.096 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1Cc1cc2c(cc1OC)C[C@H](C)O2)[C@H]1CCS(=O)(=O)C1 1748817197 GMLXHHRKMBDPOU-PXNSSMCTSA-N 472.611 2.484 30 10 JEEE C#CCN(c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCCOC)[C@H]1CCS(=O)(=O)C1 1748817908 SJAXLYFQDVGQPZ-IBGZPJMESA-N 495.646 2.056 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1Cc1ccc(OC)nc1)[C@H]1CCS(=O)(=O)C1 1748819736 SPJKPAQMLXFEFF-KRWDZBQOSA-N 487.532 2.226 30 10 JEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1Cc1ccc(C)nc1)[C@H]1CCS(=O)(=O)C1 1748821047 LPVMHMWDWCYQEO-QFIPXVFZSA-N 479.606 2.450 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 1749020604 YOFUKOCNEYUJKX-UHFFFAOYSA-N 493.568 2.280 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](C(=O)NC)C1 1749135034 BKKSNJMALBMKRB-QKLQHJQFSA-N 472.615 2.213 30 10 JEEE C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1)c1ccccc1 1749242155 DGPPDCUNUSIZKJ-ONTIZHBOSA-N 488.658 2.149 30 10 JEEE C=C(Cl)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1749277612 ICDOOTQXVHQQAR-JKSUJKDBSA-N 481.022 2.390 30 10 JEEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1CN(C(=O)OC(C)(C)C)C1)C1CC1 1749519200 GHJNWEZJAZYPCZ-INIZCTEOSA-N 451.593 2.202 30 10 JEEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1749630609 SOWDJKRRPCCBOO-KRWDZBQOSA-N 473.578 2.051 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(CCOc2ccccc2Cl)CC1 1749664509 PRYVJYPVANQHKE-UHFFFAOYSA-N 481.988 2.497 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(CC)[C@H](C)C1 1749670615 ULSQMGOUQIWTKH-MOPGFXCFSA-N 475.638 2.225 30 10 JEEE C#CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1760133194 ZUSMHSPZJJRTMM-IBGZPJMESA-N 493.033 2.428 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCc1c[nH]c2c(C)cccc12)[C@@H]1CCS(=O)(=O)C1 1760182097 GMFTYLVNQHGMPC-LJQANCHMSA-N 482.610 2.075 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Cl)n1C[C@](C)(O)CCOC)[C@H]1CCS(=O)(=O)C1 1760185016 NSZUOORBMLPJCV-HRAATJIYSA-N 466.991 2.013 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCN1CCOCC1(C)C 1760242620 JRDAQTXUSJJVDU-UHFFFAOYSA-N 468.602 2.344 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@]2(N(C)C)CCSC2)CC1 1760254628 CXVNIBMTAOICJU-DEOSSOPVSA-N 470.643 2.155 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC2(N(C)C)CCCC2)CC1 1760265773 IZHCRMAOWPUWGQ-SANMLTNESA-N 486.661 2.159 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@H](C)N2CCOCC2)CC1 1760270806 ASMHCGIILFUACC-JOCHJYFZSA-N 494.640 2.160 30 10 JEEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1ccc(O)cc1 1760281358 MRTOMXCEWJODIZ-UXHICEINSA-N 491.639 2.025 30 10 JEEE C#CCSCCn1c(N2CCN(CC(C)C)C(=O)[C@@H]2C)nnc1[C@]1(OC(C)C)CCOC1 1760286186 DZDDUBJSTJAEJC-CVDCTZTESA-N 463.648 2.378 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(F)cc2)n1C[C@@H]1CC(=O)N(CCOC)C1 1760297754 HIPXRLMWZPGILF-HOYKHHGWSA-N 455.534 2.483 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(CCOC)[C@H]1CC[C@H](C)C1 1760521227 NBXZRQOTRDSYAW-ROUUACIJSA-N 479.585 2.136 30 10 JEEE CC(C)(C)CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N2CCOCC2)CC1 1760766469 CQZHCTLWAIDMFU-UHFFFAOYSA-N 465.602 2.234 30 10 JEEE Cc1nn(C)c(N2CCN(c3nnc(C(C)(C)C)n3C[C@@]3(N(C)C)CCSC3)CC2)c1C#N 1762399853 FWUONADXWIHDPV-QHCPKHFHSA-N 471.679 2.253 30 10 JEEE CC(C)(C)N1C[C@@H](C(=O)Nc2c(C#N)nnn2-c2ccc(I)cc2)CC1=O 1870150270 AQDNLBXGAYKBGR-NSHDSACASA-N 478.294 2.329 30 10 JEEE N#Cc1nnn(-c2cccc(Cl)c2)c1NC(=O)c1ccc(N2C[C@@H](C(=O)O)CC2=O)cc1 1870150280 AWWIBUUVSNAWJL-ZDUSSCGKSA-N 450.842 2.482 30 10 JEEE CCCNC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)(C)C)C2)n1/N=C/c1ccc(O)cc1O 1874273496 HGXXHITYWHPZPF-OWLNGIFZSA-N 474.587 2.304 30 10 JEEE C#CCOCCS(=O)(=O)CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1990707239 CHOGNXNAEOCKAK-QFIPXVFZSA-N 471.531 2.433 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CCNC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)C(=O)O 2059767505 MAJFIXQTTUGECD-GJZGRUSLSA-N 456.540 2.448 30 10 JEEE CC(C)(C#CC(=O)N[C@@]1(C(=O)O)CCCN(C(=O)OC(C)(C)C)C1)NC(=O)OC(C)(C)C 2082715078 LKGYSFYMJBGUAO-QFIPXVFZSA-N 453.536 2.264 30 10 JEEE CS[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2086010555 GZXXDSBTJSYJOO-TZMCWYRMSA-N 452.386 2.359 30 10 JEEE CS[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2255703498 SWYTXXFGGOYWMR-HZPDHXFCSA-N 451.398 2.395 30 10 JEEE C[C@H](CN(C)C(=O)OC(C)(C)C)NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2255799088 BRYZEXLANJGQCZ-CYBMUJFWSA-N 475.442 2.117 30 10 JEEE COCC(CNC(=O)OC(C)(C)C)(COC)Oc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2266705349 ZJLRSCHSYGTPAK-UHFFFAOYSA-N 452.357 2.316 30 10 JEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1O 2267126852 DVYPFHOEHKKZOH-HZPDHXFCSA-N 466.409 2.456 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](CO)[C@@H](NC(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2267592028 JVVPFPPPLQOTLI-ZBFHGGJFSA-N 466.409 2.395 30 10 JEEE CC(C)(C)OC(=O)NCC=CCNS(=O)(=O)c1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2267702573 IVMFXKOGPNPWOA-UHFFFAOYSA-N 470.372 2.484 30 10 JEEE CC(C)(C)OC(=O)NC[C@]1(O)C[C@H](C(=O)NCc2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2268636597 FNNWGTIXXUWHPU-CAJLXGCNSA-N 466.409 2.329 30 10 JEEE C[C@@H](CCNC(=O)OC(C)(C)C)CCNC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2268690174 KJHZBCOZFUWOIG-OAHLLOKOSA-N 450.389 2.390 30 10 JEEE Cc1c(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]3C[C@H]32)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281798662 KUFGXZXDINBHSV-XHSDSOJGSA-N 460.384 2.155 30 10 JEEE Cc1cc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2O)ccc1B1OC(C)(C)C(C)(C)O1 2282113719 TVRZNGDBEREXSX-RTBURBONSA-N 460.380 2.394 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2C[C@@H](NC(=O)c3ncncc3B3OC(C)(C)C(C)(C)O3)C[C@@H]21 2282175601 XNTFVEIZDDTNBB-QSJFSLAZSA-N 458.368 2.197 30 10 JEEE Cc1ccc(S(=O)(=O)N(C)C[C@H](O)COCc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)c1 2282320572 KJHSRZUGNLIJCR-FQEVSTJZSA-N 475.416 2.492 30 10 JEEE C[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2282345925 RYNBIYLHJYXMSU-CZUORRHYSA-N 476.326 2.206 30 10 JEEE CC(C)(C)OC(=O)NCCOCCCNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2282534998 YULAPJJRPZTCNS-UHFFFAOYSA-N 467.347 2.181 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1C[C@H]2CC[C@H]1N2C(=O)OC(C)(C)C 2282536094 YAOCODDPELBFIB-ZMSDIMECSA-N 460.384 2.237 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C2(CCC2)C1 2282536647 FYNOPZOMYLNQSU-OAHLLOKOSA-N 460.384 2.381 30 10 JEEE Cn1cc(C(=O)N2CCN(Cc3ccccc3)CC(F)(F)C2)nc1B1OC(C)(C)C(C)(C)O1 2282548108 UYSHLNJMGSFNIG-UHFFFAOYSA-N 460.334 2.313 30 10 JEEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)C1NC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282552963 UGAMCKUAFYDDCM-HUUCEWRRSA-N 462.400 2.341 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)Nc1nnc(CCNC(=O)OC(C)(C)C)o1 2282582069 QWTSQABVDAWWBP-UHFFFAOYSA-N 479.368 2.453 30 10 JEEE CC(C)(C)OC(=O)N1CC(N(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C2CCC2)C1 2282624504 MNHRGHRQBNPHSC-UHFFFAOYSA-N 458.368 2.390 30 10 JEEE C[C@H](CNC(=O)c1ccoc1B1OC(C)(C)C(C)(C)O1)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 2282627005 KIVBIVAAFWIVPQ-CMJOXMDJSA-N 464.368 2.317 30 10 JEEE Cc1cc(C(=O)N[C@H](C)C2(O)CN(C(=O)OC(C)(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2282701579 YNPZFXNUKLOANQ-MRXNPFEDSA-N 460.380 2.394 30 10 JEEE CC(C)(C)OC(=O)N[C@@]1(CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2O)CCOC1 2282810393 SLCYAXKUXPLAJY-HSZRJFAPSA-N 462.352 2.105 30 10 JEEE C[C@H]1CCN(S(=O)(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)C[C@H]1NC(=O)C(F)(F)F 2282843344 LYHYUCBOAJMNJL-XJKSGUPXSA-N 476.326 2.063 30 10 JEEE COC(=O)[C@H](CC(=O)Nc1nc(B2OC(C)(C)C(C)(C)O2)ccc1Cl)NC(=O)OC(C)(C)C 2283915818 JPPNNBORCSSKCR-ZDUSSCGKSA-N 483.758 2.429 30 10 JEEE COC(=O)CSc1nnc(C2CC2)n1N=Cc1ccc(OCCN2CCOCC2)c(OC)c1 2320862607 KDEDOWKZWCTIGU-UHFFFAOYSA-N 475.571 2.022 30 10 JEEE CCN(CC)c1ccc(C=Nn2c(SCC(N)=O)nnc2[C@H]2CC(=O)N(C(C)C)C2)cc1 2329012578 KNOPNIGMCSCFQF-KRWDZBQOSA-N 457.604 2.308 30 10 JEEE CCCNC(=O)CSc1nnc(CNC(C)=O)n1N=Cc1ccc(OC(C)C)c(OC)c1 2330743688 SFJXMNJBJMAYEI-UHFFFAOYSA-N 462.576 2.211 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@H]2NS(=O)(=O)Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2359283575 DLDMVALYXTVRLL-WDSOQIARSA-N 478.420 2.413 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@H]2C[C@@H](NC(=O)c3ccoc3B3OC(C)(C)C(C)(C)O3)C[C@H]21 2368867421 UODIAGLLYGSIOX-USXIJHARSA-N 462.352 2.476 30 10 JEEE Cc1c(C#N)c(NC(=O)COC(=O)Cn2[nH]c(=O)c3ccccc3c2=O)n(-c2ccccc2)c1C 11530097 FVUGIEIJHQBVRQ-UHFFFAOYSA-N 471.473 2.151 30 10 JEEE CCN(C)C(=O)[C@H](C)Sc1n[nH]c(N/N=C/c2ccc(OC)c(OCn3cccn3)c2)n1 59817938 FFLUOHGTKCRGPO-OMBDHMDGSA-N 458.548 2.451 30 10 JEEE N#Cc1cccnc1N1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1 105285115 KDMYANOWIAJWKY-UHFFFAOYSA-N 473.986 2.356 30 10 JEEE CCOC(=O)[C@@H]1CCCN(c2nc(=O)c3c([nH]2)NC(=O)[C@@H](C#N)[C@H]3c2ccccc2Cl)C1 203567733 UTTZOODSQWSRAS-IVMMDQJWSA-N 455.902 2.427 30 10 JEEE O=C(Nc1ccccc1)[C@H]1CSCN1C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 727371745 XQZNPFKQWWJFRZ-QGZVFWFLSA-N 458.565 2.046 30 10 JEEE C#CCN(C(=O)[C@H](C)SCc1nc(O)c2c(C)c(C)sc2n1)[C@@H]1CCS(=O)(=O)C1 918755950 IBQPONGQDMYZMQ-UONOGXRCSA-N 453.611 2.284 30 10 JEEE C=CCS(=O)(=O)CCNC(=O)N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](c2cccc(F)c2)C1 1230745645 IYLSGLZPZDYTPV-ZWKOTPCHSA-N 455.552 2.429 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(C(N)=O)cc1 1286296706 RDRXHGCFWBCWPS-APWZRJJASA-N 468.558 2.192 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)Nc3ccccn3)n2CCCN2CCCC2)c1 1286310144 XFBHJQIVFIOKBY-UHFFFAOYSA-N 486.580 2.468 30 10 JEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(Nc2cccnn2)CC1 1286338455 BGHRCESGVJGYIC-UHFFFAOYSA-N 494.625 2.480 30 10 JEEE C#CCN(c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@H](C)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1286389141 GCISYFROMSQPFD-OFNKIYASSA-N 495.653 2.488 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccc(OC)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 1286390531 APPNVIDNKMEJTK-SJORKVTESA-N 464.975 2.119 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CC(C)(C)OCC)[C@H]1CCS(=O)(=O)C1 1286396334 PGJDOSSZJQDEGK-SFHVURJKSA-N 464.563 2.438 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1Cc1ccc(C#N)o1)[C@H]1CCS(=O)(=O)C1 1286397870 VHEADXUYVVLQDQ-SFHVURJKSA-N 465.535 2.305 30 10 JEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCN1CCCCCC1=O 1286414557 ZFUUJYXQZBUJBX-UHFFFAOYSA-N 474.613 2.318 30 10 JEEE C#CCN(CC#CC)c1nnc(COc2ccc(Cl)cc2)n1CC1(C(N)=O)CCOCC1 1286433781 LAHCCQLBKLUABV-UHFFFAOYSA-N 455.946 2.256 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2cc(OC)ccc2OC(F)F)CC1 1286471819 AMNMOVGMVDRQPU-XMMPIXPASA-N 491.539 2.344 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1286475207 ZFFHUUYXMPOEJG-XDOYNYLZSA-N 483.935 2.019 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCN(C(=O)OC(C)(C)C)C2CC2)CC1 1286490059 GNURYTHLTOYIPZ-UHFFFAOYSA-N 494.600 2.100 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@@H]2CCCCN2CCC)CC1 1286491570 YCABAAHEBDMBEY-QHCPKHFHSA-N 463.630 2.494 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCSC2)CC1 1286492117 HRSNINWAJXZFSL-LJQANCHMSA-N 464.595 2.448 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(Br)n1 1286521651 BNLJZQJJQYBQJL-AUUYWEPGSA-N 464.389 2.378 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1286628274 DMWBIWDRWJZJEZ-ZHALLVOQSA-N 451.015 2.161 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCOC[C@@H]1OC 1286741728 JNRGINMFMRSYCE-ACRUOGEOSA-N 450.543 2.345 30 10 JEEE C=CCN(CC=C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ccc(C(N)=O)nc1 1286757801 WJAWJJXAAGGHBT-UHFFFAOYSA-N 459.558 2.173 30 10 JEEE C=CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1286827452 OKYLYEYQAZBNBE-UHFFFAOYSA-N 465.627 2.480 30 10 JEEE C#CCN(c1nnc(-c2cn(C)c3ccccc23)n1CCN(C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1300488625 TWXKYAIRDNYCRH-LJQANCHMSA-N 468.627 2.404 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1Cc1ccc(OC)nc1OC)[C@H]1CCS(=O)(=O)C1 1300498861 NQYQLXYUEVQQHZ-FQEVSTJZSA-N 499.568 2.095 30 10 JEEE C#CCN(c1nnc(CC2CCCC2)n1Cc1cccc(C(=O)NC)c1)[C@H]1CCS(=O)(=O)C1 1300500496 AAVFELQICTWTNR-NRFANRHFSA-N 469.611 2.045 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H](C)N1CCN(CC)CC1 1300546996 BNQHZPGQLLURIR-VXKWHMMOSA-N 483.661 2.449 30 10 JEEE C#CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(C(=O)OCC)CC1 1300767356 VQGQLKIXHDPEAQ-UHFFFAOYSA-N 453.572 2.162 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C(=O)COC)CC1 1300890536 HDUUOFAOGRJRTK-SQJMNOBHSA-N 483.613 2.348 30 10 JEEE C=C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1301070656 RSZNEBLLXXWWHA-UHFFFAOYSA-N 470.393 2.132 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(OC)c(OC)c2)CC1 1301124695 KCDYIIAQZKJQAM-OAQYLSRUSA-N 491.614 2.079 30 10 JEEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2cc(OC)c(OC)cc2CC1 1301196650 HFXVAODINNWPOL-MRXNPFEDSA-N 463.604 2.477 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC=C(C)CC1 1301587890 AOBHSLMISUQOSR-UHFFFAOYSA-N 457.604 2.209 30 10 JEEE C[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1)N(C)C 1303735631 BZWNPMSPAAJDIT-NVXWUHKLSA-N 479.507 2.184 30 10 JEEE CN(Cc1ncnn1CC(F)F)c1nnc(-c2ccc(C#N)cc2)n1CCCN1CCOC1=O 1314776756 APIJENZVNADTBS-UHFFFAOYSA-N 471.472 2.152 30 10 JEEE COc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2cccc(C#N)c2)cn1 1315496801 HXFZGXQAWYCYNM-IBGZPJMESA-N 452.540 2.140 30 10 JEEE COCCN(C)CCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCO[C@@H](C#N)C1 1316067819 BTBVHSAYPBUVQR-INIZCTEOSA-N 479.379 2.023 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CCN(C)C(=O)OC(C)(C)C)c1 1358902061 DLJLZEVAKWWJCT-LJQANCHMSA-N 495.584 2.152 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2CC2(NC(=O)OC(C)(C)C)COC2)c1 1358903216 OQOUKIPRIAATFJ-UHFFFAOYSA-N 498.584 2.165 30 10 JEEE C#CCCCCn1c([C@H]2CCOC2)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 1358912205 LCHCBUXFRLKIBL-ORFBVSJDSA-N 456.635 2.402 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@H](CC)OC)[C@@H]1CCS(=O)(=O)C1 1358964396 YMDBZPYDVXBLTF-CVEARBPZSA-N 452.527 2.199 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCN(CCC)C1 1358971596 BAQYLOMHWBYLOU-FQEVSTJZSA-N 468.627 2.000 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCNC(=O)C1CCC1 1358993998 BJTSVDLLIKTVJQ-NRFANRHFSA-N 498.628 2.356 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2cccnc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1359017419 DSAGOQASVOAYRV-OAQYLSRUSA-N 482.585 2.324 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Cl)n2C[C@]2(C)CN(C)C2=O)CC1 1359043392 SBRGRUROJRZZSN-QHCPKHFHSA-N 454.962 2.043 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1359096414 BIRXHCYDVKDMMK-PXNSSMCTSA-N 475.619 2.015 30 10 JEEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1359150722 FFKNZCGMPKKDAG-GJZGRUSLSA-N 460.000 2.378 30 10 JEEE C=CCCOCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(C(=O)OC)CC1 1359226800 MWXDULZYTFRUNS-UHFFFAOYSA-N 469.590 2.434 30 10 JEEE C=CCn1c(N2CCN(CC(=O)N3CCCCCC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1359290895 VIKXIRYEHDHKMT-DEOSSOPVSA-N 460.623 2.029 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(Oc2ccc(F)cc2F)CC1 1359291604 WYXKUMQCNKSGPQ-UHFFFAOYSA-N 474.512 2.142 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCCN(S(C)(=O)=O)CC1 1359294969 KTRNRAQDVGWSAX-UHFFFAOYSA-N 492.671 2.049 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1359305535 GCTPYBIEIGQVJA-GBESFXJTSA-N 490.605 2.037 30 10 JEEE C[C@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C#N)cc2)n1CCNc1nccc(C(F)(F)F)n1 1493168300 CRDIWIJOOVZDJM-AWEZNQCLSA-N 485.474 2.405 30 10 JEEE CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](NC(=O)OC(C)(C)C)C(C)C)CCO1 1503771213 HRGRZSQSMMDBPW-VQTJNVASSA-N 497.600 2.317 30 10 JEEE COc1ccc(C(C)(C)Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@H](C)C#N)cc1 1504143938 BCDXCSTUMWYONF-XLIONFOSSA-N 490.630 2.193 30 10 JEEE COC[C@H](C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ccccc2C#N)CC1 1504557036 FCOZGZCJDRFRHO-GOSISDBHSA-N 460.542 2.406 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCCN(C(C)=O)C1 1504875640 HHWOGWHJUFQVMO-HSZRJFAPSA-N 493.612 2.184 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1507520851 HHLAQOKWVUUFCJ-LPHOPBHVSA-N 499.559 2.460 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1Cc1cnn(CC)c1)[C@H]1CCS(=O)(=O)C1 1507623925 ZEGURQKVYVYXPD-PXNSSMCTSA-N 486.573 2.449 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1Cc1ccc(C)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1507628443 HQEVTNBNPQQABN-IBGZPJMESA-N 453.568 2.276 30 10 JEEE C#CCN(c1nnc(-c2ccccc2)n1CCOc1ncccc1F)[C@H]1CCS(=O)(=O)C1 1507629168 JYKVTZPFRLAMEI-SFHVURJKSA-N 455.515 2.185 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@](C)(O)C1CC1 1507671893 RJIKREIKFBASHP-DVECYGJZSA-N 457.575 2.210 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ncccc1C 1507702716 WSJBWYIBEOHBFI-QFIPXVFZSA-N 498.584 2.142 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCO[C@H]1c1ccccc1 1507711366 UMAYHIQEOBSRCA-VSKRKVRLSA-N 472.611 2.434 30 10 JEEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2C[C@H](C)CNC(=O)OC(C)(C)C)CC1 1507724742 WKNVNYXEPQGSEZ-LJQANCHMSA-N 453.591 2.180 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCCC(=O)NC2CC2)CC1 1507732143 IVJLKDKGGFCFMW-UHFFFAOYSA-N 456.978 2.325 30 10 JEEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(CCOC)CC1 1507745506 ZGWRWMVPOJHKOO-UHFFFAOYSA-N 453.410 2.171 30 10 JEEE C=C(Br)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)[C@@H]1CCOC1 1507782323 AIYVZBZGSJPRRS-CYBMUJFWSA-N 455.382 2.372 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCN(c2ccnc(C)n2)CC1 1507808180 TYODXTXJKLGVON-VCOUNFBDSA-N 471.606 2.408 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2cc(Br)cn2C)n1CCCNS(C)(=O)=O 1507819863 VRHLVCFEKYPQKS-UHFFFAOYSA-N 459.414 2.388 30 10 JEEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)OCC)CC1 1508059121 LOOKPZVRKDVKDV-MRXNPFEDSA-N 450.540 2.051 30 10 JEEE C=CCn1c(COc2ccccc2OCC)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1508070535 AIYXPPBTCMUOOB-SFHVURJKSA-N 461.588 2.446 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N(C)C[C@H]1CCCOC1 1508086243 KHPYGLUIJCGCDJ-GOSISDBHSA-N 479.585 2.230 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@@H](C)OC(C)(C)C1 1508140525 IUTYUMFTSZBQIJ-GOSISDBHSA-N 489.646 2.057 30 10 JEEE C=CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)CC(=O)N1CCOCC1 1508161551 MMIXFKBCFXRYOD-IBGZPJMESA-N 459.572 2.005 30 10 JEEE CC(=O)N1CCCN([C@@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3C[C@H](C)N(C)C)C[C@H]2C)CC1 1508234268 UWQNEPLOLAGFTK-JXALWOEJSA-N 478.645 2.146 30 10 JEEE CC(C)(C)n1ncnc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1508621378 APDRGYJKXKFTQF-GOSISDBHSA-N 468.587 2.225 30 10 JEEE Cc1nccn1CCn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1511620051 ASFDXSSLBAPSCU-DLBZAZTESA-N 471.587 2.192 30 10 JEEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1513975322 HMDYEYKIXOLPCI-DBXWQHBBSA-N 451.575 2.031 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc(C)o3)n2C[C@H]2CCS(=O)(=O)C2)c1 1539040624 ZECCGLXMPVEOMV-GOSISDBHSA-N 467.551 2.337 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCCCN2CC)c1 1539042527 HIYDQLKTJHECIU-RTWAWAEBSA-N 463.586 2.160 30 10 JEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(O)(c2c(F)cccc2F)CC1 1539119932 PEIFDBCENZRRST-MRXNPFEDSA-N 464.538 2.360 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCCS1)[C@@H]1CCS(=O)(=O)C1 1539206913 XAEGRAYISWOKKO-MSOLQXFVSA-N 461.569 2.376 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCN(CC)C(C)C)[C@H]1CCS(=O)(=O)C1 1539212608 WFDBOGYHOSCJLX-NRFANRHFSA-N 454.600 2.174 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1CCCNC(=O)C1CCC1)[C@H]1CCS(=O)(=O)C1 1539218887 FPVMCQRMQHABEF-QFIPXVFZSA-N 483.638 2.110 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1CCC(=O)NC1CCCCC1)[C@H]1CCS(=O)(=O)C1 1539224393 GGWVAFHLVMBEJC-FQEVSTJZSA-N 489.667 2.396 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1CCOC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1539231965 ZRMVNHQNGKITHF-KRWDZBQOSA-N 464.563 2.438 30 10 JEEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CCc1nnc2n1CCCCC2 1539299095 FAWAKMMVADPOCQ-VWLOTQADSA-N 465.602 2.342 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(OCC)cc3)n2C[C@@]2(C)COCCO2)CC1 1539430180 HLBOVVIWXZEASK-NLFFAJNJSA-N 469.586 2.378 30 10 JEEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(Cn2nc(C)cc2C)CC1 1539803189 GVUUZVIHPAJVAQ-LJQANCHMSA-N 498.053 2.093 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc2c(cc1OC)C[C@@H](C)O2 1540201399 SLPBZIZCHZGDMD-SJORKVTESA-N 476.599 2.199 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](c2nc(C)c(C)s2)C1 1540862134 RWFXYYQXSOILDZ-KRWDZBQOSA-N 457.604 2.274 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(Nc2cccnn2)CC1 1540863753 DOMQFJUIVTXMTF-UHFFFAOYSA-N 486.378 2.209 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Br)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1540900022 IVRHYBJVWMPFTJ-RHSMWYFYSA-N 494.415 2.023 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CC)CCC 1540905992 YCLISEBZJXCGAP-KRWDZBQOSA-N 471.624 2.424 30 10 JEEE COCCNC(=O)[C@H]1CN(C(=O)c2ccc(OC)nc2)CCN1c1ccc(C#N)c(C(F)(F)F)c1 1548368000 FDWUXHAJTHBEBS-LJQANCHMSA-N 491.470 2.074 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCN(CCc2ccccc2)C1 1587640204 QBPRCLKTHCTWRK-KSEOMHKRSA-N 455.628 2.203 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1CC1(O)CCCC1)[C@@H]1CCS(=O)(=O)C1 1588034383 FGJQBACGGCTYTC-QGZVFWFLSA-N 480.537 2.478 30 10 JEEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 1588262870 LMOKCMKQFACKST-GBESFXJTSA-N 456.591 2.477 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H](C)Oc2ccccc2F)CC1 1588752819 WWWDYHZVDCOFEJ-CYFREDJKSA-N 457.550 2.292 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OC)n2C[C@@H]2CCC[C@H](O)C2)CC1 1588968369 KEWMDQUWGWFQFT-CTNGQTDRSA-N 481.597 2.383 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(CS(C)(=O)=O)cc2)C1 1595675006 WIEXDWRSFSIUJQ-HXUWFJFHSA-N 496.593 2.300 30 10 JEEE C#CCN1CCC[C@@H](NC(=O)c2nnn([C@H]3CCN(C(=O)OC(C)(C)C)C3)c2C(F)F)C1 1595790058 IKZLRCCOYRHOPU-CABCVRRESA-N 452.506 2.225 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 1595799041 WCEOISSFDYGJER-FQEVSTJZSA-N 491.589 2.108 30 10 JEEE C[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCCN(c2ccccc2C#N)CC1)N(C)C 1611476803 AUCUWDZEHYDMQD-LJQANCHMSA-N 473.585 2.464 30 10 JEEE Cc1cnn(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N(Cc2ccc(C#N)cc2)C2CC2)c1 1612340958 HULNESZIHCDGNN-QGZVFWFLSA-N 468.587 2.134 30 10 JEEE CCN(CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1)C(C)C 1615659485 FDNJFIFTQQNZCJ-UHFFFAOYSA-N 491.600 2.046 30 10 JEEE CCN1CCN([C@@H](C)Cn2c(COc3cc(C)cc(C)c3)nnc2N2CCO[C@H](C#N)C2)CC1 1615844295 DMXXGTOYYQDQJX-JTHBVZDNSA-N 467.618 2.229 30 10 JEEE C#CCN1CCCN(C(=O)c2cc(S(=O)(=O)N3CCc4ccccc43)ccc2OC)CC1 1628351007 VGJKHUMWYQWKEJ-UHFFFAOYSA-N 453.564 2.228 30 10 JEEE CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)N2CCN(c3ccc(C#N)cc3)CC2)cc1 1654540538 FRZMIORREZBZLB-GOSISDBHSA-N 455.584 2.394 30 10 JEEE CCS(=O)(=O)N(C)c1ccc(NC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 1663464473 GFSONAZCOYSLSE-HXUWFJFHSA-N 455.540 2.267 30 10 JEEE CCOc1cc(NC2CCN(C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC2)ncn1 1679944032 GEZZQLNUYJVBSK-NVXWUHKLSA-N 459.551 2.220 30 10 JEEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCNS(=O)(=O)Cc1ccon1 1689953909 DIQBJKMKVLEXHS-UHFFFAOYSA-N 469.354 2.429 30 10 JEEE C#CCN(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1CC1(O)CCS(=O)(=O)CC1 1689972120 FMSCBNLFHQEMKK-UHFFFAOYSA-N 481.018 2.261 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CC1(CC)CCOCC1)[C@H]1CCS(=O)(=O)C1 1689992913 QVOFNLYNMYQNEL-FQEVSTJZSA-N 457.600 2.097 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cn(C)c4ccccc34)n2CCCC(=O)N(C)C)CC1 1690142739 SVSYKXVXRDIYAS-UHFFFAOYSA-N 475.597 2.271 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H](c2cccc(OC)c2)N(C)C)CC1 1690146115 GFQJSBKUBVMHBZ-LADGPHEKSA-N 494.640 2.449 30 10 JEEE C=C(Cl)Cn1c([C@H]2CCCOC2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1690344677 WZKQIVIVEYTSRY-VQTJNVASSA-N 453.031 2.156 30 10 JEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(N3CCOCC3)CCCCC2)CC1 1690396612 HFSSOIRWAHNCCQ-IBGZPJMESA-N 480.679 2.326 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1690665501 GIEGFIRNZHGCLH-XMMPIXPASA-N 471.558 2.039 30 10 JEEE C=CCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@@H](COC(C)C)C2)cc1 1690680519 UKLXVEMUSJQJCT-NHCUHLMSSA-N 455.559 2.473 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(CC(C)(C)C)n2CCS(=O)(=O)N2CCSCC2)C1 1690707413 VTKRUEWPOVLHFV-QGZVFWFLSA-N 457.666 2.027 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@]2(C1)OCc1ccccc12 1690714242 HYRICVPNTFUFDP-QHCPKHFHSA-N 473.599 2.043 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1690725130 GNUZMSHPFKOVBW-UHFFFAOYSA-N 497.669 2.224 30 10 JEEE C=CCSCCn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1690744407 ONIFSWUFZLRVFW-FCEUIQTBSA-N 476.691 2.470 30 10 JEEE CCN(C)C(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(CCC#N)CC1CC1 1695504077 HBSXODCWQRMGLU-UHFFFAOYSA-N 451.579 2.060 30 10 JEEE CN(CCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@](F)(C#N)C1)CC(F)(F)F 1696818551 CQBXWUHJGJKFHF-QGZVFWFLSA-N 459.473 2.206 30 10 JEEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1696902629 HLZSXFYNJSEYOU-MOPGFXCFSA-N 488.596 2.303 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CCc2nnc(C)s2)c1 1705506026 XXLUTQCXBPZMPV-UHFFFAOYSA-N 461.555 2.137 30 10 JEEE C#CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(CCOC)[C@@H](C)C1 1705531711 TZFNJLBKSCJZFB-IBGZPJMESA-N 463.586 2.245 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(OC)ccc2Br)n1CCc1n[nH]c(C)n1 1705622951 ASGFUAOTYOTZHH-UHFFFAOYSA-N 474.363 2.471 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccc(O)cc2)CC1 1705645391 SGLWYQVWETYJQX-RUZDIDTESA-N 467.570 2.038 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@](C)(O)C(C)C)CC1 1705645573 YAIWCBHMLORSAU-JOCHJYFZSA-N 491.434 2.419 30 10 JEEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 1705663169 YFQUJBAYFBGCLG-GMAHTHKFSA-N 495.697 2.447 30 10 JEEE C#CCSCCn1c(N2CC[C@]3(CNC(=O)C3)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705665200 MREYRQGRTFRIKA-MFEFFIJZSA-N 474.631 2.132 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1705722465 MRLNGVDQUGYFEB-UHFFFAOYSA-N 483.598 2.358 30 10 JEEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1705734766 BFDWOELYGOCSQM-IBGZPJMESA-N 455.559 2.433 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCNC(=O)OC(C)(C)C)CC1 1705782216 QWRCJDKJANUFOY-QGZVFWFLSA-N 453.609 2.497 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCS(=O)(=O)c2ccccc2)C1 1705914361 MOACZONLKOBDCI-SFHVURJKSA-N 482.566 2.181 30 10 JEEE CCCNC(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@](C)(C#N)C1 1709833231 HCFMYJLNBLOWCS-XMMPIXPASA-N 465.606 2.498 30 10 JEEE CCN(c1nnc(-c2ccc(C#N)cc2)n1CCNC(=O)c1cccs1)[C@H]1CCS(=O)(=O)C1 1709937890 CVKSNWIXLHFXHG-SFHVURJKSA-N 484.607 2.322 30 10 JEEE CO[C@@H]1COCC[C@@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@](F)(C#N)C1 1712090579 BTGRKSSSYKIMCV-RADWXHQJSA-N 476.940 2.355 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1nnc2n1CCCCC2 1722283546 VTDFRIKIKFWLQW-INIZCTEOSA-N 453.572 2.173 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CCC(F)(F)C2)c1 1722305598 SJXCYDWDTRTBAM-WBVHZDCISA-N 494.568 2.380 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2CCCO[C@@H]2CCOC2)c1 1722309202 KWWWKLGKHRLPMA-IFMALSPDSA-N 467.570 2.424 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1cccc(F)c1)C1CC1 1722333923 ZZXZEWBLISTSCT-HXUWFJFHSA-N 461.563 2.333 30 10 JEEE C#CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1CCS(=O)(=O)NC(C)C 1722346685 VRJTZDOMAYFXLZ-UHFFFAOYSA-N 470.393 2.113 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1ccc(OCCOC)cc1)[C@@H]1CCS(=O)(=O)C1 1722368056 PAYBADHTNBORSU-IRLDBZIGSA-N 488.610 2.220 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1oc2ccccc2c1C 1722397889 WJXMCUVUBADLEX-JOCHJYFZSA-N 481.578 2.177 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](c2cccnc2)C(C)C)CC1 1722440791 KCMZLVSYWUICII-NRFANRHFSA-N 465.602 2.217 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(OCCC)c(OC)c2)CC1 1722448452 UUMLTBDPZIEGNO-FQEVSTJZSA-N 494.596 2.041 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CC2(SC)CCN(C)CC2)CC1 1722449351 PWTKGNVERLGHNZ-UHFFFAOYSA-N 481.670 2.057 30 10 JEEE C#CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H]2C[C@H]1CO2 1722461222 MLYXTNWHFSZMGP-BZSNNMDCSA-N 463.604 2.321 30 10 JEEE C=CCCOCCn1c(-c2cc(Br)cn2C)nnc1N1CC(=O)N(C)[C@H](C)C1 1722622999 XJYZMLKLHRHORD-CQSZACIVSA-N 451.369 2.306 30 10 JEEE C=CCNC(=O)Cn1c(Cn2ccc3ccccc32)nnc1N1CCC[C@H](C(=O)NCCC)C1 1722702569 PXPBRAHXYWRCFV-FQEVSTJZSA-N 463.586 2.326 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](c2cccc(F)c2)N(C)C)C1 1722717767 DDBACYDTQOUUIT-CEWLAPEOSA-N 477.606 2.404 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccc3C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1722721735 LEFXUYIQGYOKCA-BBJJLJPOSA-N 462.554 2.485 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCN1CCCO[C@H](C)C1 1722862220 HPJITVJORKEYPQ-RBUKOAKNSA-N 474.631 2.445 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2CCCCN2CCOCC2)c1 1740562643 MFOQMUHHQXKNKB-QFIPXVFZSA-N 480.613 2.341 30 10 JEEE C#CCCCn1c(Cc2csc(C)n2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1740593783 PPNQJVIIYHHUDC-UHFFFAOYSA-N 466.615 2.427 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ccncc1Cl 1740630486 KAHMAPLOMDTNLU-UHFFFAOYSA-N 468.970 2.365 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C)cc2F)n1 1740688784 JLEWEUFCLADFPH-OAQYLSRUSA-N 465.533 2.208 30 10 JEEE C#CCSCCn1c(-c2cccc3cccnc23)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1740713513 GZLILXNGEBVZMD-LJQANCHMSA-N 465.604 2.486 30 10 JEEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@@H](OC)C(C)(C)C1 1740716420 YDXYIJMHZINCDS-GOSISDBHSA-N 452.584 2.420 30 10 JEEE C=C(Cl)Cn1c(N2CC[C@@H](N3CCN(CC)CC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1740817204 WUQRSDGZISGPDY-DENIHFKCSA-N 453.031 2.287 30 10 JEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1740864208 KFKHPIRXIOUGMF-MOPGFXCFSA-N 496.678 2.098 30 10 JEEE C=CCN(CC=C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1740926264 UMMRMAZERNLTMV-HRAATJIYSA-N 450.536 2.285 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1740989033 YCCFLKNPJDNGGQ-CTNGQTDRSA-N 459.616 2.093 30 10 JEEE CC(C)C(=O)NC[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)O)C1 1741281212 GBTBJBOMDPHKAW-LJQANCHMSA-N 454.575 2.488 30 10 JEEE CCO[C@@H](CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1)C(C)C 1746638001 AITLFUFMAOEJSB-CTNGQTDRSA-N 467.574 2.394 30 10 JEEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CCc1c(OC)cc(OC)cc1OC 1748842772 UVZYRFDXSJYXHO-UHFFFAOYSA-N 477.521 2.347 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN1CCC[C@@H](C)C1 1748886519 FTHOSIOXCHMADM-HXUWFJFHSA-N 457.582 2.387 30 10 JEEE C#CCN(CCOC)c1nnc(CC2CC2)n1C[C@@H]1C[C@@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1748965078 LYMONKQTSPDRLH-HSALFYBXSA-N 459.591 2.341 30 10 JEEE C#CCN(CCOC)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1748968135 BKJTYRWZXIOANW-FDDCHVKYSA-N 473.599 2.084 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CCC 1749132131 YVSLPVJKZGMVLX-RDGPPVDQSA-N 455.625 2.217 30 10 JEEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 1749222161 AKLZVOYINISKBW-RBBKRZOGSA-N 484.649 2.088 30 10 JEEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1ccc(COC)o1 1749268466 AUCIKIVCTBYKGF-FUHWJXTLSA-N 485.994 2.444 30 10 JEEE C=CC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNS(=O)(=O)Cc2ccon2)CC1 1749334393 BQYPTVUPNOYSLG-UHFFFAOYSA-N 467.555 2.327 30 10 JEEE C=CCC(C)(C)Cn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1749364718 WKXFZGYZKHYXCA-UHFFFAOYSA-N 451.575 2.178 30 10 JEEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(NC(=O)N(C)C)cc1)C1CC1 1749519695 QICARJRUJWWXME-KRWDZBQOSA-N 458.588 2.477 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(Cc2cc(OC)cc(OC)c2)CC1 1749668905 AQZZDZNOGSBPTD-QFIPXVFZSA-N 484.601 2.161 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N(C)Cc1csc(CC)n1 1749676334 MRLUFWAGOGNCEY-UHFFFAOYSA-N 450.572 2.474 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1749680775 QUAFKFNZYGIRFS-UHFFFAOYSA-N 472.553 2.061 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC(CO)CC1 1749723978 FEOCDRLVBIUFST-MRXNPFEDSA-N 452.552 2.367 30 10 JEEE CC(=O)NC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCC[C@@H]2CCCCO2)CCO1 1750021306 BYRAKXPPGWUZIV-JTHBVZDNSA-N 482.585 2.419 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Cl)n1C[C@](C)(O)CCOC)[C@@H]1CCS(=O)(=O)C1 1760185018 NSZUOORBMLPJCV-IIBYNOLFSA-N 466.991 2.013 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cnccc1OC 1760249692 QPPUWQYLUQCMNF-IBGZPJMESA-N 486.573 2.124 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2cccs2)CC1 1760316303 PMTJLECLQMZLFZ-HBFSDRIKSA-N 494.687 2.253 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N1CCC(C(=O)NCCOC)CC1 1760323160 BESXCHKXXRIEEU-GGAORHGYSA-N 468.602 2.224 30 10 JEEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1760449255 FHFKQTZCNAQQGW-LJQANCHMSA-N 455.519 2.057 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N(CC)CCS(C)(=O)=O 1760518138 JUTYBQUJMHJELM-UHFFFAOYSA-N 460.387 2.425 30 10 JEEE CC(C)(C)Cc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@H]1CCCS(=O)(=O)C1 1760759093 GUMGMNMTRARIFS-LJQANCHMSA-N 471.631 2.285 30 10 JEEE CC[C@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CC1(N(C)C)CCOCC1 1763740945 HMRSMFYFNNHTGX-SFHVURJKSA-N 469.638 2.143 30 10 JEEE CNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCO[C@H](C)C2)CC1 1767837976 FLERIKOFTAEUNI-MJGOQNOKSA-N 453.547 2.005 30 10 JEEE CNS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1767850186 BILATUASJOHFET-UHFFFAOYSA-N 463.567 2.363 30 10 JEEE N#CC1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1771533836 ASTKFFJUCGLRDV-UHFFFAOYSA-N 481.525 2.226 30 10 JEEE C[C@H]1Oc2ccc(-c3nn(-c4cccc(C(=O)O)c4)cc3/C=N\NC(N)=S)cc2N(C)C1=O 1857806851 MPLWCXDGRBRFHK-OBSVYCRBSA-N 464.507 2.148 30 10 JEEE C=CCN(CC=C)C(=O)[C@H]1CSCN1C(=O)[C@H]1CC(=O)N(c2ccc(C(=O)OCC)cc2)C1 1862183429 VQRLPKJAXRWIJA-AZUAARDMSA-N 471.579 2.318 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCNC(C)=O)[C@@H]2c2ccc(C(=O)O)cc2)cc1C 1862407493 PNMNNOJVZGKBKB-HXUWFJFHSA-N 452.463 2.416 30 10 JEEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1862602853 MANVKWHBVNCLLG-NSPYISDASA-N 456.407 2.031 30 10 JEEE COc1cc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2CCNC(C)=O)cc(OC)c1OC 1862741925 CYYUFXZGLOAYFA-HXUWFJFHSA-N 499.476 2.335 30 10 JEEE COCCCN1C(=O)c2ccc(C(=O)N[C@H](C)C(=O)N[C@H](C#N)c3ccc(C)cc3)cc2C1=O 1867515338 QVSTYWGGWIJJJR-IIBYNOLFSA-N 462.506 2.127 30 10 JEEE CCn1cc(OCC(=O)Nc2sc3c(c2C#N)CCC3)c(=O)cc1CN1CCC(O)CC1 1870324293 DWNRYHOQEUTBCE-UHFFFAOYSA-N 456.568 2.264 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)Nc2ccccc2C(=O)OC)cn1CCOC 1870740217 RJGVBKNHRGQWLX-UHFFFAOYSA-N 469.538 2.473 30 10 JEEE COc1ccc(OCCCc2nnc(SCC(N)=O)n2/N=C/c2ccc(OC)c(O)c2)cc1 1874220009 QBUDZIUMKXEHLD-ZMOGYAJESA-N 471.539 2.472 30 10 JEEE CCOc1ccc(OCc2nnc(SCC(N)=O)n2/N=C/c2ccc3c(c2)OCCO3)cc1 1874235720 WWLUJRGYYGFTPA-WYMPLXKRSA-N 469.523 2.487 30 10 JEEE CC(C)N1C[C@@H](c2nnc(SCC(=O)NCc3ccco3)n2/N=C/c2ccncc2)CC1=O 1874333504 QBLCWPJTKPAHGI-XMQIJXBMSA-N 467.555 2.281 30 10 JEEE COc1ccc(/C=N/n2c(CNC(C)=O)nnc2SCC(=O)NCc2ccccc2)c(OC)c1 1874436244 SAKXSUXNPIJMDP-LGJNPRDNSA-N 482.566 2.222 30 10 JEEE CCN1CCN(CC#CCOC2CCN(C(=O)c3cnc(O[C@H]4CCOC4)c(Cl)c3)CC2)CC1 1890260055 ZNIOMDQNGNLYNH-QFIPXVFZSA-N 491.032 2.165 30 10 JEEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)COc3ccc([N+](=O)[O-])cc3)CC2)CC1 1891134332 XNADZRFNIMZYMK-UHFFFAOYSA-N 458.559 2.011 30 10 JEEE Cc1nc(I)c(I)n1CC12CC(C#N)(CO1)C2 1997274260 PFZBJIGECUPFMC-UHFFFAOYSA-N 455.037 2.474 30 10 JEEE C=C[C@]1(COc2ncnc(I)c2N)COCCN1C(=O)OC(C)(C)C 2079110405 PUHDQBDSQOEGDE-MRXNPFEDSA-N 462.288 2.234 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@]2(NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2255749384 SIIZYIFTWWZUSL-RNODOKPDSA-N 470.422 2.335 30 10 JEEE C[C@@H](c1cscc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)[C@H](CO)NC(=O)OC(C)(C)C 2256614191 LMCXUVBVFKDAKG-BBRMVZONSA-N 454.398 2.452 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1CC[C@@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)s2)O1 2256627766 CESNRMMMYUCGLB-OLZOCXBDSA-N 453.370 2.453 30 10 JEEE Cc1csc(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)c1B1OC(C)(C)C(C)(C)O1 2267151491 JKIDUCSVCQBCSH-CABCVRRESA-N 466.409 2.313 30 10 JEEE COC1(CCNC(=O)OC(C)(C)C)CN(C(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2267487523 RXZGUZHCLGPMGF-UHFFFAOYSA-N 467.397 2.198 30 10 JEEE CC1(C)OB(c2ccc(S(=O)(=O)N(OCc3ccccc3)C3CNC3)c(F)c2)OC1(C)C 2267704496 OPYIQNUCSNKPOT-UHFFFAOYSA-N 462.352 2.219 30 10 JEEE CC(C)(C)OC(=O)N1[C@H]2C[C@@H]1CN(S(=O)(=O)c1cccc(B3OC(C)(C)C(C)(C)O3)c1)C2 2267713000 JRVVSPOROVYPKK-CALCHBBNSA-N 464.393 2.368 30 10 JEEE CO[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2268638086 HGKUJMNGDAKGGA-WFASDCNBSA-N 453.320 2.387 30 10 JEEE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2268773389 MTAMPRSUCWCHHA-MGPQQGTHSA-N 466.413 2.479 30 10 JEEE CN1CCN(C(=O)OC(C)(C)C)C[C@H]1COc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2269022419 ZMPWWIYQUPGXMH-INIZCTEOSA-N 451.348 2.450 30 10 JEEE Cc1nc(C(=O)N2CCC[C@@H](NC(=O)C(F)(F)F)CC2)c(B2OC(C)(C)C(C)(C)O2)s1 2270603096 ZYRGKOJVKUNBGE-GFCCVEGCSA-N 461.315 2.424 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2ccc(F)cc2B2OC(C)(C)C(C)(C)O2)[C@H](O)C1 2281786736 HQXTZESUBFMMKA-QZTJIDSGSA-N 464.343 2.225 30 10 JEEE CC(C)(C)OC(=O)N1CC2(C[C@@H](O)CN2C(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2281941388 FEJYFMORZXUTHC-MRXNPFEDSA-N 458.364 2.182 30 10 JEEE Cc1cnc(C(=O)NC[C@H]2COCCN2C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2281957645 OCBMYSNPOYEURE-INIZCTEOSA-N 461.368 2.055 30 10 JEEE C[C@@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)C[C@]1(C)CNC(=O)OC(C)(C)C 2281979371 CVFWKFQEVLSNGC-CMJOXMDJSA-N 462.400 2.342 30 10 JEEE Cc1c(C(=O)NC[C@H]2C[C@H](C)N(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281985435 LUYJTBBBHWRWDA-GOEBONIOSA-N 462.400 2.403 30 10 JEEE Cc1c(C(=O)N[C@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281989106 VNSWKLHUEMOHOS-CVEARBPZSA-N 462.400 2.451 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)n1 2281997003 WLNVXQMSDHBVDM-IYBDPMFKSA-N 460.384 2.141 30 10 JEEE C[C@H]1C[C@H](CNC(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2282038555 JZSPNWOGLVOGHQ-JKSUJKDBSA-N 462.400 2.485 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@@H](CCOC)NC(=O)OC(C)(C)C 2282117021 LTJYYMADPPHASX-QGZVFWFLSA-N 465.400 2.467 30 10 JEEE CN(Cc1n[nH]c(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cn2C)n1)C(=O)OC(C)(C)C 2282181082 AXOXKIRDMALJPJ-UHFFFAOYSA-N 460.344 2.062 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C1)[C@@H]2NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2282325409 DUUUBBYXHHCDOR-JLVBRIDZSA-N 482.383 2.269 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](NC(=O)c3ncncc3B3OC(C)(C)C(C)(C)O3)C[C@H]1C2 2282706998 TUWUVEKCOVDYAR-ARFHVFGLSA-N 458.368 2.294 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2CC(NC(=O)c3nccnc3B3OC(C)(C)C(C)(C)O3)C[C@@H]2C1 2283056656 PMBNQWHXHNKURL-HUUCEWRRSA-N 458.368 2.151 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CC12CC2 2283059271 CZROESGADYXOKW-HNNXBMFYSA-N 458.368 2.438 30 10 JEEE Cn1ncc(C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)c1CNC(=O)OC(C)(C)C 2283981901 RFZFKPHNMNQODO-UHFFFAOYSA-N 457.340 2.391 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](C(=O)N1Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C1)C1COC1 2284018219 RYVSTIRTEFVEAE-LJQANCHMSA-N 458.364 2.368 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)[C@@H](C(=O)N=c1nc(B3OC(C)(C)C(C)(C)O3)[nH]s1)C2 2284065826 MEGNJDNFOWBPFG-KKUMJFAQSA-N 478.424 2.481 30 10 JEEE CC(=O)N1C(=O)C(=C2SC(=Nc3cc(C(=O)O)cc(C(=O)O)c3)NC2=O)c2ccccc21 2314557080 LXOJYMPETVGJOU-UHFFFAOYSA-N 451.416 2.238 30 10 JEEE COc1ccc(Cc2nnc(SCC(N)=O)n2N=Cc2cc(OC)c(OC)c(OC)c2)cc1 2329260418 JMDZEUOGLDZRBY-UHFFFAOYSA-N 471.539 2.363 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@]2(CCN(C(=O)c3cnsc3B3OC(C)(C)C(C)(C)O3)C2)C1 2362570018 SRXKKOSZVMCVHP-QFIPXVFZSA-N 479.408 2.294 30 10 JEEE CN(C1(C(=O)O)CN(C(=O)OCc2ccccc2)C1)[C@@](C)(C#N)Cn1cc(Br)cn1 2372478700 LBKUPFQMILUFKW-IBGZPJMESA-N 476.331 2.335 30 10 JEEE COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(OC)cc2)cc1 8465790 LFXCSCLVTRYACO-VFJWVMJUSA-N 452.507 2.458 30 10 JEEE C[C@H](C(=O)NO)N(Cc1ccccc1)S(=O)(=O)c1ccc(I)cc1 13530868 GOITWCMYTFYDIU-GFCCVEGCSA-N 460.293 2.376 30 10 JEEE C[C@H](C(=O)N[C@H]1CCNC[C@H]1C(=O)/C=C/c1ccc([N+](=O)[O-])s1)N1C(=O)c2ccccc2C1=O 585830730 CPGMXTFFJTXSNN-LUHDVIJZSA-N 482.518 2.018 30 10 JEEE C=CCOc1ccc(NCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1-n1cnnn1 586269493 WJBGPHCJROARKC-UHFFFAOYSA-N 460.498 2.076 30 10 JEEE CC1(C)OB(c2cc(S(=O)(=O)NC3CCC3)ccc2I)OC1(C)C 725435547 BQTRGRZVQADBAU-UHFFFAOYSA-N 463.146 2.421 30 10 JEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1[C@@H](C)c1cccs1 729672377 KWNHSOJEZLRDOB-HNNXBMFYSA-N 461.572 2.034 30 10 JEEE C=CCC[C@H](NC(=O)CNC(=O)CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 757311963 VPCMOQDWLWWQTM-NRFANRHFSA-N 465.506 2.177 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](c2cccc(C)c2)C1 1286350183 WVQKBNNNKNFGCU-LEWJYISDSA-N 457.600 2.327 30 10 JEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1CCc1ccccn1)[C@@H]1CCS(=O)(=O)C1 1286393810 SERKETMMTBOHHM-JOCHJYFZSA-N 479.606 2.336 30 10 JEEE C#CCN(c1nnc(CC)n1C[C@@H](c1ccccc1OC)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1286393916 MAWQQIFFRQGMCN-CTNGQTDRSA-N 471.627 2.313 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nc2cccc(Cl)c2n1C 1286432119 XVKBROSFPUMVFX-INIZCTEOSA-N 470.986 2.232 30 10 JEEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2CCS(=O)(=O)C(C)(C)C)CC1 1286479760 XDCCCQMIVALGJE-UHFFFAOYSA-N 465.570 2.116 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(N(C)C)cc1C 1286521923 FKYOMWUQBORRIX-ZJSXRUAMSA-N 486.642 2.026 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCOC2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1286554526 HRWXGQYWQRPCFQ-BJLQDIEVSA-N 467.636 2.014 30 10 JEEE C=C(C)Cn1c(COc2ccc(OC)cc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1286597368 LBJZSTTYBYQOPH-OAQYLSRUSA-N 454.575 2.185 30 10 JEEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(Cn2ccnn2)CC1 1286605268 UHXVFMQQILMCHZ-UHFFFAOYSA-N 485.614 2.449 30 10 JEEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1ccc(N(C)C)nc1 1286768038 OREANESBDWYLDM-UHFFFAOYSA-N 474.569 2.340 30 10 JEEE CC(C)(C)Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC(=O)NCC(F)(F)F 1287033522 GPZUGLGNDJGXMF-UHFFFAOYSA-N 464.496 2.138 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1C[C@H]1CCCN1Cc1ccccc1 1288773031 HWWKYMUMYDACIO-WSTZPKSXSA-N 459.620 2.291 30 10 JEEE C=CCS(=O)(=O)CCNC(=O)c1cc(S(=O)(=O)Nc2ccccc2OC)ccc1C 1295458206 TUMCEPHOCYVUSH-UHFFFAOYSA-N 452.554 2.135 30 10 JEEE COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2nccc(C(F)F)n2)cc1OC 1300076015 AEODOBHEZCDYRS-AWEZNQCLSA-N 457.441 2.467 30 10 JEEE C#CCN(c1nnc(C2CC2)n1C[C@](O)(c1ccccc1)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1300491126 DTEFIXOHSLZEPU-XLIONFOSSA-N 468.501 2.232 30 10 JEEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1CCc1nccnc1C)[C@@H]1CCS(=O)(=O)C1 1300504903 VOQBQAODUWWVBW-OAQYLSRUSA-N 494.621 2.442 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccc(Br)cc2)n1C[C@@H]1CC[C@H](CO)O1 1300548007 FMVPUHIOSVMMJB-RBUKOAKNSA-N 459.344 2.232 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2COc3ccccc3O2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1300578316 KUHIMOTXPUIJOQ-QPPBQGQZSA-N 490.608 2.196 30 10 JEEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(Cl)c(OC)c(OC)c1 1300601518 IWENYCCUKPVQDZ-ZDUSSCGKSA-N 455.968 2.067 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1Cc1c(Cl)c(C(F)(F)F)nn1C 1300664460 PQHJLBUEPFNQPE-UHFFFAOYSA-N 456.860 2.219 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCC2(CCCCC2)O1 1300672389 ZWXLRAHTGASJPH-MOPGFXCFSA-N 450.605 2.148 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CC(=O)N(C)C2CCCCC2)CC1 1300725987 HAZUTSARUGWWEW-UHFFFAOYSA-N 477.613 2.021 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1CCS(=O)(=O)Cc1ccccc1 1300813625 MKGOSJVSCYKGOW-HSZRJFAPSA-N 455.584 2.008 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCS(=O)CC2)cc1 1301521030 XZOLYSZONTZVDV-UHFFFAOYSA-N 452.540 2.107 30 10 JEEE C=CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](COC)C1 1301612105 VSEBWXZTYXHVNL-MSOLQXFVSA-N 483.635 2.357 30 10 JEEE N#Cc1ccc(-c2nnc(N3CCN(CC(=O)NC4CC4)CC3)n2CCSC(F)(F)F)cc1 1302989126 HJEGKYVHAWELLQ-UHFFFAOYSA-N 479.532 2.470 30 10 JEEE Cc1ccc(NC(=O)c2nnc(N3CC[C@](F)(C#N)C3)n2CCCc2cnn(C)n2)cc1C 1304379129 HRDBXNVDZJKFCD-QFIPXVFZSA-N 451.510 2.351 30 10 JEEE CCc1nn(C)c(OC)c1Cn1c(CNC(=O)c2cccs2)nnc1N(C)[C@@H](C)CC#N 1306050477 AVTXQSULQGPGDX-AWEZNQCLSA-N 456.576 2.361 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CCCC3)n2C[C@H]2CCN(S(C)(=O)=O)C2)c1 1358901925 ACHLYQYUVRNPKA-IBGZPJMESA-N 484.626 2.273 30 10 JEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 1358904561 GUZRFRMNTYVGCG-DLBZAZTESA-N 468.624 2.043 30 10 JEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1358933925 JCROSQHLAGGTTC-FQEVSTJZSA-N 469.659 2.288 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CCc1ncc(CC)s1)[C@H]1CCS(=O)(=O)C1 1358965379 UDBYJICCCVEKBI-SFHVURJKSA-N 470.624 2.152 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1ccc(C(N)=O)nc1 1358977479 NBMCEZBLOLFIRT-LJQANCHMSA-N 477.569 2.008 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCOC1 1358994276 JBPNOPRGDKYURV-UXHICEINSA-N 457.575 2.476 30 10 JEEE C=C(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1359121781 IMKDYJPNKJTOHK-LJQANCHMSA-N 488.662 2.136 30 10 JEEE C=CCCOCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1359224023 DFXWVMLNIGGSMB-RDPSFJRHSA-N 477.613 2.398 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1359334074 RZNQUUMGEOBQBQ-XMMPIXPASA-N 473.643 2.079 30 10 JEEE CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCCC2(C)C)CCO1 1359446720 HKTSIEBBOIBMEX-HYBUGGRVSA-N 452.559 2.099 30 10 JEEE CC[C@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CC1CCN(C(C)=O)CC1 1495722098 GFLJTEAHRHTGBV-KRWDZBQOSA-N 467.622 2.290 30 10 JEEE CN(C)[C@@]1(Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CCO[C@H](C#N)C2)CCSC1 1503385126 BXWATRPAJNCKOT-XMSQKQJNSA-N 490.033 2.028 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@@H](c1ccco1)N(C)C)[C@H]1CCS(=O)(=O)C1 1507629527 NDYYHTUFJXMONM-ICSRJNTNSA-N 483.594 2.476 30 10 JEEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1CCCS(=O)(=O)c1ccccc1 1507672589 FCLPCHRHZCVVLQ-UHFFFAOYSA-N 464.595 2.467 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCN1CC=CCC1 1507710120 JRAYYOBZYZJDIX-UHFFFAOYSA-N 461.570 2.023 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1507722140 PXHHXWNQUHCPHP-RTWAWAEBSA-N 471.627 2.225 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCC2CCN(CC)CC2)CC1 1507735724 FXYUMPNYYDNKPS-SANMLTNESA-N 486.661 2.018 30 10 JEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](C(=O)N(C)c2ccccc2)C1 1507741715 ZGCVYLXXLPGVOM-IBGZPJMESA-N 466.611 2.370 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@H]2CCCOC2)CC1 1507743045 XKAJLRUHJGVVEG-IBGZPJMESA-N 451.571 2.270 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCO[C@@H](c2ccccc2)C1 1507830676 PMNPSKYHTFGCPW-WOJBJXKFSA-N 461.588 2.155 30 10 JEEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1507910660 ZBJHMQHVJSTROP-GOSISDBHSA-N 480.617 2.317 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(CN2CCO[C@H](C)C2)c1 1507983318 PYFOJENFXARHJL-WIYYLYMNSA-N 459.616 2.071 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@]1(O)CCS(=O)(=O)C1 1508017197 KYHYCCHZHYAKCD-WZONZLPQSA-N 495.646 2.121 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1508143277 FZXGPQXOYQYAOE-SJLPKXTDSA-N 451.618 2.240 30 10 JEEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 1508158427 GUXKWHFYGZINGJ-IBGZPJMESA-N 454.600 2.040 30 10 JEEE COCCN1C[C@H](Cn2c(COc3ccc(F)cc3)nnc2N2CCC(C#N)CC2)CC1=O 1519216084 BZKDHUZXHCOYMU-GOSISDBHSA-N 456.522 2.231 30 10 JEEE COCCN1C[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(F)(F)CC2)CC1=O 1519217937 DZJKVIFCUTWEMY-GOSISDBHSA-N 474.512 2.459 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC1(S(C)(=O)=O)CCC1 1538983119 NPTIZTVPLKSTAH-OAHLLOKOSA-N 462.572 2.396 30 10 JEEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(CCN2[C@@H](C)CC[C@H]2C)CC1 1539078588 AIZUTDHQERBQEU-SZPZYZBQSA-N 455.651 2.199 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1Cc1nnc(C)s1)[C@H]1CCS(=O)(=O)C1 1539210329 BQYAYCMICOOWSI-SFHVURJKSA-N 456.597 2.342 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccccc1CN1CCC[C@@H]1CO 1539290693 KRLQDZUZRWIMHA-XMMPIXPASA-N 497.603 2.393 30 10 JEEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 1539378011 ZNCNBAOXEWKHFT-QFIPXVFZSA-N 450.587 2.151 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2CC2([S@@](C)=O)CCC2)CC1 1539489119 QXRZVERNLNHGSW-UUWRZZSWSA-N 483.638 2.167 30 10 JEEE C=CCN(c1nnc(CN2CCCC2=O)n1CCNc1nccc(C(F)(F)F)n1)C1CC1 1540113780 DDHYXNRRLVSVLR-UHFFFAOYSA-N 450.469 2.476 30 10 JEEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2ccccc2Br)C1 1540853728 LGPRLTVCEIYGTK-CJNGLKHVSA-N 470.393 2.415 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc(COc2ccc(Br)cc2)n1CC(=O)N1CCOCC1 1541806269 HSMABOQSUNNADZ-HNNXBMFYSA-N 477.363 2.217 30 10 JEEE CN(C)CCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC(CC#N)CC2)cc1 1552869596 CNVKKXYYCWGEKB-NRFANRHFSA-N 451.575 2.348 30 10 JEEE COC[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCC[C@H]2C(=O)N(C)C)C1 1555361762 FLRZYDDMCXGYIH-UNMCSNQZSA-N 465.602 2.232 30 10 JEEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2[C@H]3CC[C@H]2CC(N(C)C(=O)c2ccccc2)C3)CC1 1559696574 BTSVRJLEGUEPQN-FIXSFTCYSA-N 451.615 2.446 30 10 JEEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1C[C@H](c1cccc(C)c1)N1CCOCC1 1587921938 NEPKOKFFQIQGSE-RDGATRHJSA-N 453.587 2.382 30 10 JEEE C#CCN(c1nnc(-c2ccccc2F)n1CCNC(=O)c1cccs1)[C@H]1CCS(=O)(=O)C1 1588045470 LNXBCONDKWMCGJ-INIZCTEOSA-N 487.582 2.202 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCN(C(=O)OC(C)(C)C)C1CC1)[C@@H]1CCS(=O)(=O)C1 1588050433 SFSZRAZLWVICFO-GOSISDBHSA-N 488.614 2.299 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1CCOc1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 1588055455 VYSMQTVIGCVSSJ-FUHWJXTLSA-N 464.975 2.141 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(Br)c2)n1CCCNS(=O)(=O)CC 1588189073 CLUDCCPZUZWTMP-UHFFFAOYSA-N 478.416 2.500 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H](c1ccco1)N(C)C 1588200059 BDBUTGJYXGXJNC-OAQYLSRUSA-N 455.526 2.280 30 10 JEEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2CCCOC[C@@H]2CCCO2)CC1 1588836061 DGXOXJQAYRTCTO-IBGZPJMESA-N 459.541 2.488 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@](C)(O)c2ccco2)CC1 1588908305 NVNIFZGFIBTPFK-QHCPKHFHSA-N 468.945 2.460 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCSCC1 1595100838 VGMNOYHQAVNPLC-NRFANRHFSA-N 486.667 2.293 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCOC[C@@H]1C 1595506704 JVHIVQSTOCWIDD-ZDUSSCGKSA-N 450.337 2.244 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC(C(=O)N2CCCC2)CC1 1595516196 BFLFATKNEPIOPX-UHFFFAOYSA-N 496.612 2.493 30 10 JEEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1595838026 IYSCNDROTZKICU-UHFFFAOYSA-N 467.661 2.371 30 10 JEEE CC(=O)N1CCC[C@@H](Cn2c(-c3csc(N4CCOCC4)n3)nnc2N(C)[C@@H](C)CC#N)C1 1596062945 CZMOTQPQMITYNZ-FUHWJXTLSA-N 472.619 2.235 30 10 JEEE Cn1cnc(Cn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N2CC[C@@](F)(C#N)C2)n1 1618450294 FMMYLSGVVDKGKV-OAQYLSRUSA-N 459.530 2.011 30 10 JEEE C#CCN(Cc1ccc(F)cc1)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 1631275186 QGRSNQGFIDOUKE-OAQYLSRUSA-N 452.534 2.266 30 10 JEEE COC(=O)CCNC(=O)c1ccc(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1 1657677741 HJTAZINHWNBMBL-UHFFFAOYSA-N 451.527 2.447 30 10 JEEE COc1ccc(C2(CNC(=O)N3CCN(c4nccnc4C#N)C[C@H]3C)CCOCC2)cc1 1683083839 CWXGPXRYWPDHBF-GOSISDBHSA-N 450.543 2.325 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(F)c(C)c1)[C@H]1CCS(=O)(=O)C1 1689982791 UOBWXYCAXOJMLK-RDPSFJRHSA-N 490.601 2.441 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCN1CCC(O)CC1 1690028041 IHZBARIFKYJRIP-NRFANRHFSA-N 470.618 2.270 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](OC)C(C)(C)C1 1690432562 GNOYXRUYKYTJQQ-DLBZAZTESA-N 455.625 2.075 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC1(S(C)(=O)=O)CC1 1705490991 VGOUMXMBGAZDPR-MRXNPFEDSA-N 468.583 2.271 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](Oc2ccccc2Cl)C1 1705534409 HPZXCVGIGRBPQS-YLJYHZDGSA-N 494.017 2.336 30 10 JEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CCOc1ccc(Cl)cn1 1705585187 NNOANOVLZHLCKD-UHFFFAOYSA-N 454.943 2.470 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCN1C[C@H](C)O[C@H](C)C1 1705606959 LZTQWMQDPDBDAC-BGYRXZFFSA-N 488.658 2.154 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN(CC)C1CC1 1705620313 QICVMUJASAMTPA-LJQANCHMSA-N 459.591 2.443 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(F)ccc2Br)n1CCC(=O)N1CCOCC1 1705622532 KVYYMJVULCATQP-UHFFFAOYSA-N 494.365 2.182 30 10 JEEE C=C(C)COCCn1c([C@@H](C)CC)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1705731541 WQAPIMXQDBDUJA-RBUKOAKNSA-N 455.625 2.015 30 10 JEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](CC)NC(=O)OC(C)(C)C)CC1 1705763554 XWGWOQNZZLXVEE-HZPDHXFCSA-N 456.613 2.348 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CCCCC1 1705879554 CVLGLNBXVSQTDO-HXUWFJFHSA-N 493.630 2.134 30 10 JEEE C=CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1705891190 ICYNOLJTMVKSEA-LJQANCHMSA-N 466.007 2.339 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(N(CC)CC)CC1 1705904089 FIXYQYGWVRTJDQ-NRFANRHFSA-N 454.575 2.403 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(Cn2ccnn2)CC1 1705905470 WMNPYRFXFAIJPI-UHFFFAOYSA-N 454.966 2.333 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C)N2CCC(C)CC2)C1 1705925828 UWJIOFRMSBQTRA-XUVXKRRUSA-N 451.637 2.082 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1705935196 JOEOIAYZVUHXLT-SFHVURJKSA-N 495.596 2.049 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CC[C@](O)(c2ccccc2F)C1 1705935786 CXTYSCMHKWUNRS-VGOFRKELSA-N 464.563 2.010 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC2(CCN(C)C2=O)CC1 1705938811 JVPHOLADUOWQNM-RTBURBONSA-N 493.674 2.246 30 10 JEEE CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@@H](C(F)F)N2CCOCC2)[C@@H](C)C1 1705990381 SYJODZSAELQNMT-UWJYYQICSA-N 487.555 2.230 30 10 JEEE CC(C)Oc1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(CC(=O)N(C)C)CC2)cn1 1706681917 GQNMSKJLSUXEOP-UHFFFAOYSA-N 488.596 2.257 30 10 JEEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1ccc(C)o1 1722538322 WUVHLDKVJZDCFY-UYAOXDASSA-N 479.603 2.447 30 10 JEEE C=CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@]2(CCOC2)C1)c1ccccc1 1722595703 YLSYMDTYSZFLRS-JXHRLWIKSA-N 475.615 2.244 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC(CN(C)Cc2ccccc2)CC1 1722699117 RPBUTNHBDGTFFE-QFIPXVFZSA-N 452.603 2.433 30 10 JEEE C=CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1722738307 FWMINURCNGQSQJ-FQEVSTJZSA-N 477.656 2.353 30 10 JEEE Cc1ccc(Cn2c(CCN3CCN(c4ccccc4)CC3)nnc2N(C)[C@H](C)CC#N)c(=O)n1C 1724366240 HBDQWQJIBZLUPM-JOCHJYFZSA-N 488.640 2.437 30 10 JEEE CCN1CCN(C[C@@H](C)Cn2c(N3CCN(c4c(C#N)c(C)nn4C)CC3)nnc2C(C)(C)C)CC1 1728631167 AFBZATZWBSPGRS-HXUWFJFHSA-N 496.708 2.089 30 10 JEEE CS(=O)(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@@H]2CCCCO2)CC1 1731009570 AAGDPQKTHOZGPH-FQEVSTJZSA-N 458.588 2.248 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCCn3ccnc32)c1 1740563367 XDPKBXFQZGESQT-IBGZPJMESA-N 474.569 2.247 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCCCN1CCC)[C@H]1CCS(=O)(=O)C1 1740626090 JMNRKDWOJDVFTN-ACRUOGEOSA-N 463.648 2.411 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@H](C)Oc1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 1740627206 ZDRFHNVMTPDIFJ-FPOVZHCZSA-N 495.605 2.367 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCN1CCC(O)CC1 1740661172 TVHIMDJNDFWTAD-OYRHEFFESA-N 484.645 2.359 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(OC)cc2OC)n1C[C@H]1CCCN(C(C)=O)C1 1740681792 VMRDBDNOMIOSMO-IBGZPJMESA-N 455.559 2.307 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1nccs1 1740685040 AHDAVFFQOQRQEY-MRXNPFEDSA-N 462.576 2.177 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCCOC3)n2Cc2c(C)noc2C)n1 1740688635 HMTPDNWQKJGFMU-LJQANCHMSA-N 453.547 2.308 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@](C)(O)C2CCCCC2)CC1 1740692899 RAVXFLVDSQKITC-DQEYMECFSA-N 459.635 2.405 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3OCC)n2CCN2CCN(C)C(C)(C)C2)CC1 1740700182 JDJCNRLMDJVPJL-UHFFFAOYSA-N 495.672 2.037 30 10 JEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2ccco2)C1 1740863373 WHHKUCKCXCEVET-MOPGFXCFSA-N 465.576 2.138 30 10 JEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)c1nccs1)C1CC1 1740909952 DXDLTHJEPOPYKJ-GOEBONIOSA-N 452.606 2.026 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1)C(C)C 1740927324 SXIZBSZJADVRPV-QDMVCWPOSA-N 472.634 2.312 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCC(C(=O)NC)CC1 1740955914 DIAOSFBNSQKFQT-UHFFFAOYSA-N 479.354 2.111 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1740962195 VQSIHKHIRMEKQM-MSOLQXFVSA-N 469.590 2.306 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CCN1CCOC(C)(C)C1 1740969504 PQIGFVKEROPOGS-HXUWFJFHSA-N 468.602 2.389 30 10 JEEE C[C@@H]([C@@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCC(=O)NC(C)(C)C)S(C)(=O)=O 1741136565 BAFRTJNXANFKFS-CVEARBPZSA-N 460.604 2.379 30 10 JEEE CC(C)CN1CCO[C@@H](Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC(CC#N)CC2)C1 1741570840 HONPAZTXIGELHD-HXUWFJFHSA-N 466.590 2.412 30 10 JEEE C[C@]1(C#N)CCCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1741983086 FPYMOYWELNWIMI-RTWAWAEBSA-N 463.991 2.202 30 10 JEEE COC(=O)N1CCC(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CC(=O)NC(C)C)CC1 1748337451 AYKXSQWLTBXDOV-UHFFFAOYSA-N 453.547 2.256 30 10 JEEE CO[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1)C(C)(C)C 1748418646 HKAQMXBEWKDFGJ-IBGZPJMESA-N 460.604 2.396 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1CCCc1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 1748821722 UCKSRKMOFZQFGT-JOCHJYFZSA-N 466.611 2.056 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@H](OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1748824125 JMSNDXWLWNWJJV-QUCCMNQESA-N 462.547 2.048 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@]1(O)CCS(=O)(=O)C1 1748882023 JUTDMSQOHXKRRU-HSZRJFAPSA-N 472.636 2.288 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cn(C)c3ccccc23)n1C[C@H]1CCN(S(C)(=O)=O)C1 1748883174 VMHQELYEYBAZRA-IBGZPJMESA-N 464.595 2.181 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCOCC(F)(F)C(F)F)CC1 1749010512 LWNSTKQTSGPAIA-UHFFFAOYSA-N 468.455 2.223 30 10 JEEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1749027457 ZSVGLVCRSASXKE-QGZVFWFLSA-N 473.990 2.127 30 10 JEEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 1749097646 GGJGVEHKAABGOW-OLZOCXBDSA-N 466.340 2.222 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(=O)N(C)Cc2ccccc2)CC1 1749342728 MWOKCYVWIQGYAY-HXUWFJFHSA-N 457.600 2.241 30 10 JEEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCSC2(CCOCC2)C1 1749401687 CFLPAWLBEREVIE-GOSISDBHSA-N 485.676 2.070 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C(=O)c2ccccc2)CC1 1749655214 FFMLCBOUMWKODO-UHFFFAOYSA-N 498.385 2.300 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(OC)c(OCC)c2)C1 1749712773 LKPJZPXAXKQBDB-RBUKOAKNSA-N 476.599 2.417 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CC[C@](O)(c2ccc(F)cc2)C1 1749732076 OWBLGQWVDYTZOC-HTAPYJJXSA-N 464.563 2.010 30 10 JEEE CC(=O)N1CCC[C@@H](Cn2c(-c3sc(N4CCOCC4)nc3C)nnc2N(C)C[C@H](C)C#N)C1 1749816598 GCNVTKDYNUQNDC-VQIMIIECSA-N 486.646 2.401 30 10 JEEE CC(C)C(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1750544790 GSHNELJSILGVQU-HXUWFJFHSA-N 484.626 2.336 30 10 JEEE CC(C)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCOC(C)(C)C2)CC1=O 1750836513 FITHVAYZBDDKGD-UHFFFAOYSA-N 465.602 2.232 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2CCN2CCOC[C@H]2C)c1 1760125106 DZVVTKKCLVLOEZ-LJQANCHMSA-N 461.570 2.061 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1CCNC(=O)[C@H](C)CCC)[C@H]1CCS(=O)(=O)C1 1760184859 MTFJNRUHOKYZMG-UXHICEINSA-N 471.627 2.433 30 10 JEEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1CC1(C)CCCC1)[C@@H]1CCS(=O)(=O)C1 1760191417 GZQLKOWYISAGRQ-QGZVFWFLSA-N 475.640 2.477 30 10 JEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CCO[C@@H](C)C1 1760196495 OTIDPTKVVYJJME-PKOBYXMFSA-N 454.600 2.435 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCn1c(C)nc2ccccc21 1760210341 QWYHDZXTUQXBJG-SFHVURJKSA-N 467.599 2.100 30 10 JEEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1760229761 DJRGCPSQVWOGQH-RTBURBONSA-N 463.590 2.268 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@@H]2CCCO[C@@H]2C(C)C)CC1 1760268856 QLKJBKFZRFYDHK-PZJWPPBQSA-N 451.575 2.152 30 10 JEEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1760284103 HNDVVAKASNMJJO-UHFFFAOYSA-N 452.588 2.034 30 10 JEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](c2cccc(C)c2)N2CCOCC2)CC1 1760382108 IZSCCLXBRNGMRH-IRLDBZIGSA-N 488.658 2.427 30 10 JEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](c2nc(C)no2)C1 1760427959 MDGSCJKWXZWBOK-ROUUACIJSA-N 479.607 2.043 30 10 JEEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC2(CC1)COC(=O)N2 1760434021 QFQKMJREDOYBTB-UHFFFAOYSA-N 474.587 2.240 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCN(C(=O)OC)CC2)cc1 1760530145 LAJCPNSJBDOVGF-UHFFFAOYSA-N 477.525 2.427 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@](F)(C#N)C1 1760555788 NJSPJFKLOFOVOE-VGSWGCGISA-N 496.609 2.435 30 10 JEEE CC[C@@H]1CCCCN1CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1765097832 HMEAPOIWLGTSPR-RTWAWAEBSA-N 451.575 2.032 30 10 JEEE CCS(=O)(=O)NCCn1c(CC(C)(C)C)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1766728056 DGZXVZFNQZUUAY-UHFFFAOYSA-N 477.610 2.143 30 10 JEEE CN(CC1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1767250117 BKIZZEDQGDUFJS-HXUWFJFHSA-N 458.588 2.104 30 10 JEEE N#Cc1cccc(NC(=O)[C@H]2CCN(C(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)C2)c1 1858376060 IMMYQYARKCDDTN-IBGZPJMESA-N 452.536 2.444 30 10 JEEE C=CCn1cc(OCC(=O)N(C)Cc2ccccc2)c(=O)cc1CN1CCC2(CC1)OCCO2 1870508546 VHSGALOHZGNBOM-UHFFFAOYSA-N 467.566 2.411 30 10 JEEE CCN1CCN(CC#CCOC2CCN(C(=O)C3(c4ccccc4)CCOCC3)CC2)CC1 1889450382 YHLABVMNZFPOTH-UHFFFAOYSA-N 453.627 2.383 30 10 JEEE CC(C)N1C(=O)CS[C@H](C(=O)N2CC[C@@H](Oc3ccncn3)C2)[C@H]1c1ccc(C#N)cc1 1891290558 CUUKFPIHBDJOAX-QIJUGHKUSA-N 451.552 2.422 30 10 JEEE COc1ccc(-c2ccc(=O)n(CC(=O)NCC#CCOc3ccccc3OC)n2)cc1OC 1891823034 LDNKCSMESKTURG-UHFFFAOYSA-N 463.490 2.135 30 10 JEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CCOc2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2241079065 FKVFOEYAWGOUAO-MRXNPFEDSA-N 482.408 2.184 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NCC2(COC)CN(C(=O)OC(C)(C)C)C2)C1 2255190392 SVXJYBPWQCXQDB-UHFFFAOYSA-N 451.564 2.293 30 10 JEEE CC1(C)OB(c2cc(C(=O)N[C@@H]3CCOC[C@H]3NC(=O)OCc3ccccc3)co2)OC1(C)C 2255543031 BETAGRAOTBEJHT-RTBURBONSA-N 470.331 2.393 30 10 JEEE CC(C)(C)OC(=O)N1CCCO[C@H](CNC(=O)c2occc2B2OC(C)(C)C(C)(C)O2)C1 2267197396 YEFHICRROIBWDB-OAHLLOKOSA-N 450.341 2.335 30 10 JEEE C=C(CS(=O)(=O)N=[S@@](C)(=O)N1CCN(C(=O)OC(C)(C)C)CC1)B1OC(C)(C)C(C)(C)O1 2267466606 DKENAQXRRQXYRB-WJOKGBTCSA-N 493.457 2.069 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)CC[C@@H]1CO 2267526581 UTDSFMBYNWDJDE-ZBFHGGJFSA-N 466.409 2.395 30 10 JEEE CN(C1CN(C(=O)OC(C)(C)C)C1)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2267703112 QNBCGDZGPHFJHV-UHFFFAOYSA-N 470.372 2.365 30 10 JEEE C[C@H](NC(=O)[C@@H]1COCCN1C(=O)OC(C)(C)C)c1nscc1B1OC(C)(C)C(C)(C)O1 2268630926 QQJCANDMKBVFTP-ZFWWWQNUSA-N 467.397 2.255 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(CNC(=O)[C@H](CN(C)C)NC(=O)OC(C)(C)C)s1 2268645426 PEEAEXRMGOBJFN-INIZCTEOSA-N 467.441 2.427 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](C(=O)NCC=CB2OC(C)(C)C(C)(C)O2)S(=O)(=O)C(C)(C)C1 2268779031 APTDWFSMXXFIPG-OAHLLOKOSA-N 472.413 2.103 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C(=O)O)N(C(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)C1 2281831008 SZDLYOGYIUVAQO-HUUCEWRRSA-N 464.324 2.161 30 10 JEEE CCCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N(C)C[C@@H](O)CNC(=O)OC(C)(C)C 2281832039 IESDJCXIKWELRY-KRWDZBQOSA-N 465.400 2.155 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2CN(C(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)C[C@@H]2C1 2281928757 RBGRITBOKMGVIV-HRCADAONSA-N 460.384 2.474 30 10 JEEE Cc1nn(C)c(C(=O)N2C[C@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C2)c1B1OC(C)(C)C(C)(C)O1 2281983352 TUGCRXWWQXTLEQ-GASCZTMLSA-N 462.400 2.498 30 10 JEEE CC(C)(C)OC(=O)N[C@@]12CCC[C@]1(F)CN(C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C2 2281986729 VGSXVKTYGIBPHS-FCHUYYIVSA-N 464.347 2.320 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]3C[C@H]2[C@@H]1[C@H]3NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2281991225 XLVGTJUESQSZGE-RUKPJNHUSA-N 458.368 2.083 30 10 JEEE CN(C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1F)[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2282034297 GFNGLWHCJACGOA-HWWDLCQESA-N 461.343 2.457 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@]3(CCN(Cc4ccccc4)C3)C2)n1 2282036833 ODFCXSOSFDOMQZ-VWLOTQADSA-N 450.392 2.458 30 10 JEEE CCn1cc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]3C[C@@H]23)nc1B1OC(C)(C)C(C)(C)O1 2282052127 LKWPAVQNIGTIEP-ZMSDIMECSA-N 460.384 2.330 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)C1 2282052137 LNAJUTNKGXPVDS-JKSUJKDBSA-N 462.400 2.485 30 10 JEEE Cc1nc(C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)[C@H](CO)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2282131051 RFHNQPKFFUDLRM-GJZGRUSLSA-N 481.424 2.098 30 10 JEEE C[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2CN1C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2282188095 QYFZMQNHLYHIBY-BZUAXINKSA-N 458.368 2.103 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2F)[C@@H](O)C1 2282409262 JODVCMIQSSFIEJ-MSOLQXFVSA-N 464.343 2.225 30 10 JEEE COCC1(NC(=O)c2cc(F)ccc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2282411470 HXRLOCIXSYSXQS-UHFFFAOYSA-N 464.343 2.491 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C12CCC2 2282537138 MCPVUJZBPAILAB-HZPDHXFCSA-N 460.384 2.285 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@H](C(C)(C)NC(=O)OC(C)(C)C)C2)n1 2282539449 UJZOIDLUGFNTTL-HNNXBMFYSA-N 462.400 2.485 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2282581771 MMNQOOANYXGFPE-MUJYYYPQSA-N 460.384 2.045 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2CC[C@]2(NC(=O)OC(C)(C)C)C1 2282586698 BUZTXBLHHGUDAP-WNSKOXEYSA-N 460.384 2.157 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2Cl)C1 2282608722 YLFFAGOAIXGPTF-JKSUJKDBSA-N 481.786 2.134 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](CO)[C@H](NC(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)CC1 2282634008 GYMJOLAIZNIHIR-DOTOQJQBSA-N 464.368 2.317 30 10 JEEE C[C@H](NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)c1cnn(Cc2ccccc2)c1 2282851228 ZECSTJVBGHUZDO-INIZCTEOSA-N 471.392 2.004 30 10 JEEE CC(C)(C)OC(=O)N1CCCC[C@@H]2[C@H](NC(=O)c3nccnc3B3OC(C)(C)C(C)(C)O3)[C@H]21 2283060584 JLRAKZPHYSCNRJ-VYDXJSESSA-N 458.368 2.294 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H]2CCN(C(=O)c3nccnc3B3OC(C)(C)C(C)(C)O3)C[C@@H]21 2283068406 LZMFBDXWSFVIAF-CVEARBPZSA-N 458.368 2.247 30 10 JEEE CN(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2283951562 XRICKYWQQFLOFV-LJQANCHMSA-N 461.412 2.399 30 10 JEEE C=CCN1C(=O)C(=Cc2cc(Br)ccc2OCC(=O)OCC)C(=O)NC1=S 2294216895 MXXPQCQEMVWWIG-UHFFFAOYSA-N 453.314 2.204 30 10 JEEE COc1cc(C=Nn2c(SCCO)nnc2[C@H]2CC(=O)N(C(C)(C)C)C2)cc(OC)c1O 2327904312 IQPKHXSFWPYFCY-AWEZNQCLSA-N 463.560 2.082 30 10 JEEE CCOc1c(C=Nn2c(CNC(C)=O)nnc2SCC(=O)OCC(C)C)cccc1OC 2330785836 ZNCARSKMGQUWFY-UHFFFAOYSA-N 463.560 2.495 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(C(=O)OC(C)(C)C)CC(C)(C)C1 2362358047 VHBUKLBTAASIRZ-UHFFFAOYSA-N 462.400 2.438 30 10 JEEE 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)ncn2C)C1 2362453430 VNWPTFOLCOQCHY-HZPDHXFCSA-N 462.400 2.437 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H]3CCC[C@H]32)n1 2367685118 OPGULJOWMDWSPO-SJORKVTESA-N 460.384 2.333 30 10 JEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)N1CC[C@@](C)(B2OC(C)(C)C(C)(C)O2)C1 2368335168 FPNYMUJWNWMRGX-OPAMFIHVSA-N 486.440 2.495 30 10 JEEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc2[nH]cc(C(=O)N3CCOCC3)c(=O)c2c1 6296466 MTQZCUMBUHQBLJ-UHFFFAOYSA-N 453.520 2.382 30 10 JEEE Cc1csc([C@H](C#N)C(=O)COC(=O)/C=C\c2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2Cl)n1 97996855 JDWHLWQEWGIRMS-SQLJOLKNSA-N 482.971 2.402 30 10 JEEE COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccccc2)c(OC)c1 102740687 GLBUNCLXOJWELE-RKKARLDVSA-N 452.507 2.458 30 10 JEEE CCOc1ccc(/C=C/C(=O)[C@H]2C[C@@H](NC(=O)CN3C(=O)c4ccccc4C3=O)CCN2)cc1 585824524 SQDOYNVERGJHRM-OTYOWRIFSA-N 461.518 2.201 30 10 JEEE COc1cc(C=NNc2nc(N3CCCCC3)nc(N3CCOCC3)n2)cc(OC)c1OC(C)=O 725387335 DLUXQCQVFSUUPI-UHFFFAOYSA-N 485.545 2.087 30 10 JEEE C#CCN(C(=O)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1)[C@@H]1CCS(=O)(=O)C1 729330674 HKLPKRPARQJNEN-GOSISDBHSA-N 466.968 2.403 30 10 JEEE Cc1nn(CCO)c(C)c1C=NNc1nc(SCC(=O)OC/C=C/c2ccccc2)n[nH]1 1084098257 MYKAOFMTHTYRAL-HKGULWOWSA-N 455.544 2.405 30 10 JEEE C#C[C@H](NC(=O)[C@@]12CN(C(=O)OC(C)(C)C)C[C@@H]1CS(=O)(=O)C2)c1ccc(Cl)cc1 1275448016 NJPLYDQIGUGEJC-LDBYXDLTSA-N 452.960 2.412 30 10 JEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(F)(F)C1(OC)CCOCC1 1286370313 JMAICRZHWASSSQ-UHFFFAOYSA-N 482.557 2.139 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCN(CCC)C1)[C@@H]1CCS(=O)(=O)C1 1286383409 MLXBEZKGZZBBGI-IFMALSPDSA-N 466.611 2.175 30 10 JEEE C#CCN(CCOC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCCc1cnn(C)n1 1286466772 JVIDMCNZAJAMRU-UHFFFAOYSA-N 486.621 2.240 30 10 JEEE C=CC1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1286662739 WSNTWWUOBJUTFU-GOSISDBHSA-N 450.634 2.460 30 10 JEEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCCN(c2nccc(OCC)n2)CC1 1286703378 KZQPJPXENAZUIH-UHFFFAOYSA-N 454.579 2.272 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N(C)C[C@H]1COc2ccccc2O1 1286821131 AYYXWAMWGAFBCW-IBGZPJMESA-N 469.567 2.141 30 10 JEEE C=CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(CC(=O)N(C)C)CC1 1286836322 KHLYPVFPYWBQGL-UYAOXDASSA-N 464.680 2.326 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCCSC2)c1 1300332495 ICDRPJXHTCMRQW-HKUYNNGSSA-N 452.584 2.429 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCNC(=O)C1CC1)[C@H]1CCS(=O)(=O)C1 1300481893 CFSWJZKDOORKHF-FPOVZHCZSA-N 499.637 2.188 30 10 JEEE C#CCN(c1nnc(C)n1Cc1cccc(COCC(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 1300483249 IZVDVXZAXFLFST-SFHVURJKSA-N 456.490 2.340 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCc1nc(C)no1)[C@@H]1CCS(=O)(=O)C1 1300504110 JUWGCZPMLQDGEL-QWFCFKBJSA-N 490.630 2.148 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(C)o2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1300656411 GWUKVMHDFPQFJM-RTBURBONSA-N 461.588 2.137 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc(Cl)cc3)n2C[C@H]2CCC(=O)N2)n1 1300675476 CMDQBZGSZCMZQO-LJQANCHMSA-N 467.961 2.360 30 10 JEEE C=C(Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)NCCCOC)CC1)c1ccccc1 1301008154 XHSMPUBZXYXPBA-OAQYLSRUSA-N 466.586 2.312 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCc1ccccc1F 1301043643 AVZIHXIUZAEVHK-KRWDZBQOSA-N 457.959 2.182 30 10 JEEE C=C1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@]2(C)CN(C)C2=O)CC1 1301086992 RAURQLVZWHPGOI-HXOBKFHXSA-N 460.579 2.221 30 10 JEEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC(S(=O)(=O)CC)CC1 1301429231 LPVXKUAXUYJGID-UHFFFAOYSA-N 451.980 2.451 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC(S(C)(=O)=O)CC1 1301490013 JJYGIKGKCZZAME-UHFFFAOYSA-N 496.431 2.332 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCCN(c2ncccc2F)CC1 1301589113 NTKYDORXXJPHAS-GOSISDBHSA-N 478.594 2.024 30 10 JEEE C[C@@H]1C[C@H](CCn2c(-c3ccc(C#N)cc3)nnc2N2CCN(S(C)(=O)=O)CC2)CCO1 1304930128 HVYPXMRIDYZEAE-QZTJIDSGSA-N 458.588 2.104 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CCCN1CCOC1=O 1305792315 AQFWATXQLYEEEZ-OAQYLSRUSA-N 495.584 2.488 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H](C)Oc1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 1358955252 IMMGZGBOSMHXEF-FUHWJXTLSA-N 494.017 2.164 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H](C1CC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1358956279 CTRDDAGXLNCEKC-WMZOPIPTSA-N 495.447 2.003 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1359096040 WBZMUNZTNQPSQU-COPCDDAFSA-N 485.585 2.285 30 10 JEEE C=C(C)COCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCN(C(=O)NC)CC1 1359131183 KHTMATIUBYVCPA-UHFFFAOYSA-N 450.547 2.185 30 10 JEEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1359228727 MOLGFYJXONSEDS-UHFFFAOYSA-N 479.585 2.400 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@]2(OCC)CCOC2)n1C[C@@]1(O)CCN(C)C1 1359259882 LHUYSTTVDXKNLR-RPWUZVMVSA-N 459.566 2.329 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)CCc1ccc(Br)cc1 1359291203 IAULZXWZPUCWNR-UHFFFAOYSA-N 475.391 2.258 30 10 JEEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1359303885 DKSFLKRRRSHOOB-UHFFFAOYSA-N 496.597 2.174 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1359304181 PEQSWQCWNYKPLD-SFHVURJKSA-N 456.547 2.053 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@H]2C[C@H]1CO2 1359327549 DYJHPWGMGXSDBK-GJZGRUSLSA-N 470.393 2.015 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 1359331515 BKMKQLQICZENSY-UHFFFAOYSA-N 461.588 2.447 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1CC1(N(C)C)CCC1 1360665495 GZLXKSSOCZBOOY-KRWDZBQOSA-N 471.631 2.413 30 10 JEEE C#C[C@H](NC(=O)c1ccc(NC(=O)C[C@@H]2SC(N3CCCC3)=NC2=O)cc1)[C@@H]1CCCO1 1448020048 JWZUREQOFSACTR-FHWLQOOXSA-N 454.552 2.020 30 10 JEEE Cc1cccnc1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@](F)(C#N)C1 1492604784 FNIWLDMNYMYHKW-QFIPXVFZSA-N 469.546 2.389 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@H]1CCC=CO1 1497036999 FNFALWAKKIXEEY-FQEVSTJZSA-N 464.574 2.482 30 10 JEEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCCO[C@H](C)C2)CC1 1504912675 AFEFTLMFRWSZFH-OAQYLSRUSA-N 467.618 2.086 30 10 JEEE C#CCCCn1c(COc2cccc(C)c2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1507595674 UAKWMKYIAQJPQL-UHFFFAOYSA-N 450.587 2.323 30 10 JEEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CCC1(F)CCC1)[C@H]1CCS(=O)(=O)C1 1507629171 ZWDWVEWPQOIHNY-PGRDOPGGSA-N 468.595 2.228 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC(C)(C)c1ccccn1)[C@H]1CCS(=O)(=O)C1 1507637546 BPKBFOCRIRDUSK-FQEVSTJZSA-N 481.626 2.139 30 10 JEEE C#CCN(c1nnc(CCCc2ccccc2)n1CC1(O)CCCC1)[C@@H]1CCS(=O)(=O)C1 1507641251 ZWAFFOZCIPLBFX-OAQYLSRUSA-N 456.612 2.385 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2CC2([S@@](C)=O)CCC2)CC1 1507743053 XPPRQFWGHNLJID-MGBGTMOVSA-N 467.639 2.444 30 10 JEEE C#CCSCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1507745657 DRVNZVOCGABRSK-GPMSIDNRSA-N 462.547 2.284 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC(=O)N1CCOCC1 1507818479 NCHJHCITAMBIQN-UHFFFAOYSA-N 459.547 2.232 30 10 JEEE C=C(C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1507829827 MESFYCLZOSUMPQ-KZNAEPCWSA-N 463.579 2.329 30 10 JEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CCN2[C@@H](C)CC[C@@H]2C)CC1 1507835955 RUTRQOJLJMNEIA-VXKWHMMOSA-N 473.666 2.102 30 10 JEEE C=C(C)COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1507839681 USRJOUKZUJKZDG-OAQYLSRUSA-N 461.544 2.461 30 10 JEEE C=C(C)COCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCc2oncc2C1 1507840038 XJXZPOYPAAWWQJ-UHFFFAOYSA-N 472.571 2.339 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1508085318 GYEMQIIMLHZLMP-UHFFFAOYSA-N 472.462 2.333 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC(F)(F)CC1 1508085972 JEMBSSURIZFWDR-UHFFFAOYSA-N 457.485 2.213 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](N2CCOCC2)C(F)(F)F)C1 1508128097 OQSZCGGNLOGYCQ-RTBURBONSA-N 466.508 2.308 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1508143499 MFSQSOIHLJCAQF-UHFFFAOYSA-N 468.627 2.415 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@@H]1N(C)CCCC1(C)C 1510186744 HRTOJVOXRVBKKW-AEFFLSMTSA-N 451.641 2.139 30 10 JEEE CC[C@H](C)[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(C#N)c1)OC 1512753616 BRCWUTQIQLNPDX-DZFGPLHGSA-N 490.630 2.180 30 10 JEEE CCS(=O)(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C2CC2)N(C)C)CC1 1516829979 BDNOHSQTZDEJIG-OAQYLSRUSA-N 471.631 2.065 30 10 JEEE COc1ccccc1OCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@H](C)N(C)C 1518522734 DHOFQQLLZYNUIQ-LJQANCHMSA-N 476.585 2.409 30 10 JEEE COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)c2cccs2)CCO1 1518912489 HAIUVLQFMNFUKU-GOSISDBHSA-N 452.540 2.160 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2CC2(C(N)=O)CCCC2)c1 1539046307 QODQZFDREFUTBL-LJQANCHMSA-N 450.543 2.232 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Cl)n1Cc1nnc(C)s1)[C@H]1CCS(=O)(=O)C1 1539212582 VVFNCRYIGPQERF-AWEZNQCLSA-N 462.988 2.433 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1CC1(OC)CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1539219177 BJERJBPMNAUUDP-LECRGTDLSA-N 450.605 2.004 30 10 JEEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1CCC[C@@H](O)C1 1539416505 OQPAAKADFVCIEL-PZJWPPBQSA-N 453.591 2.089 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3CC)n2CC(C)(C)C(=O)NCC)CC1 1539461756 KSXLDKRXVWCIRP-UHFFFAOYSA-N 452.603 2.337 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@@]2(O)CCOC2)CC1 1539461765 LDPVCXSWKMFYOL-VWLOTQADSA-N 453.587 2.061 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@H]2CCC[C@@H](O)C2)CC1 1539488626 MUNGQKZHTYRYPL-PZJWPPBQSA-N 481.597 2.383 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(CCOC)C(=O)C1 1539622669 IASSPDPIDBBXNC-XXBNENTESA-N 485.585 2.239 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccc2F)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1539637359 PNUJBMJOXYCKLX-KPLVRAHFSA-N 477.606 2.459 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccccc2OC)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1539643715 XMAYJWNWCWYDTP-LUCIHVKJSA-N 486.569 2.207 30 10 JEEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2c(F)cccc2F)CC1 1539983541 ZAXODTHUBSPBMD-OAHLLOKOSA-N 482.557 2.095 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1540863653 AAIOYSWQFMSSJA-MRXNPFEDSA-N 482.404 2.023 30 10 JEEE C=CCOc1ccc(Cn2c([C@H]3CCCOC3)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)cc1 1540878480 YHTVWRQQDRRZRS-ICSRJNTNSA-N 475.615 2.255 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(Br)cc3)n2C[C@@]2(O)CCN(C)C2)C1 1540895148 MFSPPVKZMLGULJ-SIKLNZKXSA-N 492.418 2.468 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)c2ccsc2)CC1 1540901883 SLPWQNMYNPUKEK-UHFFFAOYSA-N 486.623 2.273 30 10 JEEE COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2csc([C@@H](C)OC)n2)CC1 1555200774 GQIYCNIHBFVJBN-MRXNPFEDSA-N 481.582 2.324 30 10 JEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN[C@@H](c2ccc(O)cc2)C1 1557764096 FBRNFGWQRPRACS-VQTJNVASSA-N 456.568 2.019 30 10 JEEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2[C@H]3CC[C@H]2CC(N(C)C(=O)c2ccccc2)C3)CC1 1559696575 BTSVRJLEGUEPQN-WPFOTENUSA-N 451.615 2.446 30 10 JEEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1587702042 MWSXMAYOSPHVMT-UHFFFAOYSA-N 489.584 2.109 30 10 JEEE C#CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1587769065 AWPICYYVAZDLQH-MHECFPHRSA-N 488.589 2.421 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1CCOC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1588034903 NJGLOMIKRFSQFU-SFHVURJKSA-N 476.599 2.404 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CC(=O)N(C)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 1588041531 XINDBHHFIUKRCF-QFIPXVFZSA-N 494.621 2.235 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCN1CCCCCC1)[C@@H]1CCS(=O)(=O)C1 1588065084 TUUZURDAENXHTD-HXUWFJFHSA-N 476.672 2.137 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCN(CC)S(C)(=O)=O 1588170780 NKMZLAKYQMWVSX-IBGZPJMESA-N 492.646 2.095 30 10 JEEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1589296385 RHTRNPABXNNDLF-SUMWQHHRSA-N 464.430 2.438 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1589543652 AFRMZCPRVZSLAK-PZJWPPBQSA-N 472.634 2.119 30 10 JEEE C=CCCOCCn1c(N2CC[C@@](C)(C(N)=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1594829322 HAXLJRXYWVQVDK-SAHWJRBASA-N 462.595 2.343 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1595555570 CPQKSZQCTIXYRF-UHFFFAOYSA-N 463.929 2.359 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCCN(c2nccs2)CC1 1595593387 CEEDHYSGUQKDQH-UHFFFAOYSA-N 483.598 2.341 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)COc2cccc(Br)c2C#N)[C@@H](CO)C1 1607851660 HBCBCVLSDZBIFV-CYBMUJFWSA-N 454.321 2.140 30 10 JEEE C=CCC[C@H](NC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(C(C)=O)cc1)C(=O)OCC 1635698907 PHSGLWFQGYPCHX-VQTJNVASSA-N 450.557 2.447 30 10 JEEE N#Cc1ccc(CN2CC[C@@H](NC(=O)COc3ccc(C#N)c(Br)c3)C2=O)cc1 1635700596 BMSDGDVDFFRMIV-LJQANCHMSA-N 453.296 2.489 30 10 JEEE CC(C)(C)OC(=O)N1CCC(OCC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC1 1638202734 DADORVONIXDWFD-WBVHZDCISA-N 452.552 2.278 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@@H](c3ncc(C(=O)OC)s3)C2)s1 1639730653 OXGXAMJZGLHXNO-GFCCVEGCSA-N 455.583 2.014 30 10 JEEE COC(=O)[C@@H](c1cccc(C#N)c1)N1CCC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2=O)C1 1658326583 HFHCYDWQXOYVQQ-PZJWPPBQSA-N 456.543 2.316 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1689840258 WHBLMVRSIAKPOG-LSDHHAIUSA-N 451.980 2.347 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(Br)c2)n1CCOCC)[C@H]1CCS(=O)(=O)C1 1689984710 TXMPGEDQDXJGLH-INIZCTEOSA-N 497.415 2.379 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1CCC(=O)NCc1ccccc1)[C@H]1CCS(=O)(=O)C1 1689994091 QWNKPUBRTLLTSN-NRFANRHFSA-N 497.646 2.264 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCN1CCN(CC)CC1 1690040972 VRLCOOVXBGVRTM-UHFFFAOYSA-N 462.598 2.207 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H](C(C)C)N2CCOCC2)CC1 1690113694 QRPULONLXZGTQM-HXUWFJFHSA-N 490.450 2.148 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1690117625 PKCQOIOXPXPAHW-HNNXBMFYSA-N 496.406 2.037 30 10 JEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(N(C)C(=O)OCC)CC1 1690464484 CEZFYJGUEHURFD-IBGZPJMESA-N 498.650 2.024 30 10 JEEE C=CCCCn1c([C@H]2CCCCO2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1690483584 SEPRNJCIOUYEFD-GOSISDBHSA-N 463.608 2.039 30 10 JEEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 1690484753 CMBVZCCVMWJDGD-GOSISDBHSA-N 461.563 2.134 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCN(C(=O)c3ccc(C)cc3)CC2)nnc1C(C)(C)C 1690731420 KDJHXQAQYAJPDA-UHFFFAOYSA-N 459.616 2.447 30 10 JEEE C=CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1690736755 NVRHAJGHUCSWLN-GOSISDBHSA-N 475.640 2.469 30 10 JEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(O)(Cc2ccc(F)cc2)CC1 1705509935 LUKWNJMLAUQSQH-SFHVURJKSA-N 477.606 2.405 30 10 JEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](CN2CCCC[C@H]2C)C1 1705524836 SUMFEOZIZYMKKE-HSALFYBXSA-N 450.653 2.393 30 10 JEEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@H]1CCCCC(F)(F)C1)[C@@H]1CCS(=O)(=O)C1 1705569078 YWIGMFWTBBGBJJ-ZWKOTPCHSA-N 483.585 2.243 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@@H]1CN(CC(C)C)CCO1)[C@H]1CCS(=O)(=O)C1 1705570099 MOWJMRAGWXMQQO-ZEQRLZLVSA-N 499.681 2.047 30 10 JEEE C#CCN(CC#C)c1nnc(C2(c3ccccc3)CCC2)n1C[C@H]1CCCN1S(C)(=O)=O 1705574766 MSLIFKZJDHHMLD-OAQYLSRUSA-N 451.596 2.245 30 10 JEEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(CN2CCC(O)CC2)cc1 1705575013 VRDQJJMDXZZUKP-HHHXNRCGSA-N 477.609 2.008 30 10 JEEE C#CCN(CC#C)c1nnc(Cn2ccc3ccccc32)n1CCCN1CCC[C@H]1C(=O)N(C)C 1705585604 VLTKMAKBXDGZSG-DEOSSOPVSA-N 471.609 2.297 30 10 JEEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1705656857 LLTXVFNLYAYZOO-GHTZIAJQSA-N 471.627 2.486 30 10 JEEE C#CCSCCn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1705665667 ADVRAESJLMWOPO-NRFANRHFSA-N 486.617 2.105 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1705705106 CRCAOLPBXHPCIV-BBTUJRGHSA-N 474.606 2.485 30 10 JEEE C=CCCOCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1705826046 MAWMBDMVFOFPQX-UHFFFAOYSA-N 479.589 2.208 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1ccc(C)cc1)N(C)C)C1CC1 1705854869 PYBDDOJHRPASTA-VXKWHMMOSA-N 488.658 2.377 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1705896740 WRFCCYBUOZKFMS-CZUORRHYSA-N 471.505 2.285 30 10 JEEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1705907613 RSPOFBIIDDUXPO-IBGZPJMESA-N 468.602 2.333 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(CC2CC2)CC1 1705931285 LMPSTTOXZNCSTH-UHFFFAOYSA-N 483.436 2.169 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1705932900 NGXTWHMKRJWOHA-LJQANCHMSA-N 493.077 2.416 30 10 JEEE N#C[C@@]1(F)CCN(c2nnc(-c3ccc(Br)s3)n2CCCn2cc(CO)nn2)C1 1712874971 HQYNNWASOSXHQU-KRWDZBQOSA-N 481.355 2.385 30 10 JEEE C#CCCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CC[C@H](S(C)(=O)=O)C1 1722315158 VQNYHOROZGVGFQ-SFHVURJKSA-N 482.610 2.492 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@](C)(O)c1ccco1)[C@H]1CCS(=O)(=O)C1 1722370857 FNCFAWGDOXGTOF-CYFREDJKSA-N 484.578 2.293 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNc1ncc(Cl)cc1Cl 1722397065 MKOCGUOXYYJOMS-OAHLLOKOSA-N 481.409 2.457 30 10 JEEE C#CCN(CC)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@]1(O)CCS(=O)(=O)C1 1722404499 AHWHBJPDJMJNAC-GOSISDBHSA-N 487.807 2.370 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(CNC(=O)c2cccs2)n1CCS(C)(=O)=O 1722421059 FSUZWAFVZOJFHS-UHFFFAOYSA-N 475.571 2.093 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCC(=O)N3)n2Cc2cc(C(C)(C)C)no2)n1 1722428862 CFKDDGABQBNVAF-IBGZPJMESA-N 480.573 2.046 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 1722679683 JFDRGNDFJFYDRU-GOSISDBHSA-N 460.579 2.435 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCc2ccccc2C1 1722698631 JAFOZQRRXQXARP-FQEVSTJZSA-N 482.585 2.451 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCN3C(=O)OC[C@@]3(C)C2)cc1 1722701996 CKSVOEYIXKGGBJ-HSZRJFAPSA-N 454.531 2.060 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1722730672 ZJPXLQGAZRWQHM-XXBNENTESA-N 476.599 2.151 30 10 JEEE CC(C)[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)N1CCCC1 1723122692 AIXWSTJACNGGBK-IRLDBZIGSA-N 486.642 2.472 30 10 JEEE CCCNC(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCOC[C@H]2C)C1 1728175237 CZUWFRKCPZFNFY-IRLDBZIGSA-N 495.628 2.192 30 10 JEEE CCS(=O)(=O)C[C@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCOC1 1729189221 ALSOQQYZFGFSBH-HKUYNNGSSA-N 461.588 2.415 30 10 JEEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCCC[C@H]2C)CCO1 1729679656 AMYHTNKPELJRPB-NQIIRXRSSA-N 451.575 2.032 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1740541513 ATXACQDEYSOEED-ZWKOTPCHSA-N 475.615 2.480 30 10 JEEE C#CCN(c1nnc(-c2ccccc2F)n1CCCN1C[C@H](C)O[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1740620886 HEUJWJYXTNCZQT-SLFFLAALSA-N 489.617 2.210 30 10 JEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CCCN1CCOC1=O)[C@@H]1CCS(=O)(=O)C1 1740621008 ZHYICTXLFWKLOV-GOSISDBHSA-N 477.974 2.068 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](CC)c3ccccc3)n2CC(=O)N(C)CC)CC1 1740702975 ZNXCTZSBXALRJL-OAQYLSRUSA-N 450.587 2.264 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N1CCN(S(C)(=O)=O)CC1 1740765815 CRQYIYYULGMLGI-UTKZUKDTSA-N 479.578 2.059 30 10 JEEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1740943184 VOOKZNZCJOYQQS-LAUBAEHRSA-N 486.020 2.036 30 10 JEEE C=CCOc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CCC[C@H](CNC(C)=O)C2)cc1 1740967709 OFFOSCJJLGRVSJ-OAQYLSRUSA-N 466.586 2.366 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCC(CN2C[C@H](C)O[C@H](C)C2)CC1 1740991488 XPUXRTDTDUERFI-VWPQPMDRSA-N 495.690 2.446 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N(C)[C@H]1CCCN(Cc2ccccc2)C1 1740992697 SWOAJHOIDZUZOV-VXKWHMMOSA-N 473.643 2.484 30 10 JEEE CN(CC(=O)N1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1CC1(O)CCCCCC1 1747664871 FNLIXWBMTMEGEU-UHFFFAOYSA-N 452.559 2.197 30 10 JEEE COC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2C[C@@H](C)O[C@H](C)C2)CC1 1748352970 ICKVPPXNXFXGBO-WOJBJXKFSA-N 497.600 2.116 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2C[C@H](C)N2CCN(CC)CC2)c1 1748697737 MEJHHQMAKWJASY-NZQKXSOJSA-N 479.629 2.212 30 10 JEEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](c2ccc(CC)cc2)N(C)C)CC1 1748994724 OWJCTGODNFCTRY-HSZRJFAPSA-N 463.630 2.021 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cscc2C)CC1 1749001552 WIARAPSUMLQCEC-UHFFFAOYSA-N 463.567 2.309 30 10 JEEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)N(CC)CC)CC1 1749044485 REGISNYDIJYMGD-UHFFFAOYSA-N 458.636 2.090 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1749156349 WNHMUGGKXNHRGW-FQEVSTJZSA-N 452.607 2.217 30 10 JEEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(n2c(O)nc3ccccc32)CC1 1749170078 CHWLWFURQPLSHY-HNNXBMFYSA-N 459.576 2.361 30 10 JEEE C=C(C)COCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1749216114 JQOXZACINWAUGK-GOSISDBHSA-N 456.547 2.111 30 10 JEEE C=CCCOCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H](C)O[C@H](C)C1 1749447302 AXDJNNSORMSEBE-QZTJIDSGSA-N 463.604 2.402 30 10 JEEE C=CCNC(=O)Cn1c(-c2sc3ccccc3c2Cl)nnc1N(C)CC(=O)N1CCOCC1 1749653062 VIOHMJVFUNNLDO-UHFFFAOYSA-N 489.001 2.410 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N(C)C1CCC2(CC1)OCCO2 1749676197 IFMSWLBIZAXQNA-UHFFFAOYSA-N 455.559 2.302 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1749680772 QRMLXHPQTDHXLB-GOSISDBHSA-N 465.558 2.415 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1749738362 KNJCKRVQSUBKEK-QGZVFWFLSA-N 460.629 2.334 30 10 JEEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccoc1C 1749755998 PZDZLOBQEMOCGN-QGZVFWFLSA-N 455.606 2.068 30 10 JEEE C=CCSCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1749760447 JCZMUSUWYKHSEV-LJQANCHMSA-N 498.653 2.221 30 10 JEEE CC1(C)CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CCS1 1751294534 FXYAATGTPUNVQP-KRWDZBQOSA-N 460.629 2.430 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1760187460 WBPPTGQSXHRMRO-NRFANRHFSA-N 459.591 2.121 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1ccnc(SC)c1)[C@@H]1CCS(=O)(=O)C1 1760188560 PGXWNBAMJJVWJK-QZTJIDSGSA-N 461.613 2.312 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CCC1CC(OCC)C1)[C@@H]1CCS(=O)(=O)C1 1760190540 RSTQIYTTZMWWGM-VEDCXYSMSA-N 457.600 2.096 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(-n2ccnc2C)nc1 1760222458 LLEWLYUDHUATTG-GMAHTHKFSA-N 459.554 2.402 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@@H]2CCOC[C@H]2OC)CC1 1760271268 RZOVHUGHWFKTOH-LADGPHEKSA-N 495.624 2.089 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCC2(CC1)CNC(=O)C2 1760313130 JVKOBPLPDCLWFW-YLJYHZDGSA-N 458.607 2.284 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1760320417 VARMABCSXFRPHB-UYWGQIMJSA-N 486.569 2.304 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1c2ccccc2C[C@@H]1C 1760337874 XLSNPXMZKPSVEQ-SIKLNZKXSA-N 488.658 2.465 30 10 JEEE C=C(C)COCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(C)C(=O)C1 1760356345 LQNQOTQULPCNKY-SFHVURJKSA-N 462.595 2.264 30 10 JEEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1760359221 JLDTXHDSQKZXKP-GOTSBHOMSA-N 495.672 2.483 30 10 JEEE CCN(C)C(=O)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCO[C@@H](C#N)C1 1766385890 FHUFACWWPNMECE-AWEZNQCLSA-N 453.330 2.371 30 10 JEEE CN1C(=O)Cc2cc(-c3nn(-c4ccc(N5CCOCC5)cc4)cc3/C=N\NC(N)=S)ccc21 1857807614 SFEHVHJGIOUKMV-WGARJPEWSA-N 475.578 2.062 30 10 JEEE CC(C)OCCCNC(=O)NS(=O)(=O)c1ccc(CNC(=O)c2cccc(C#N)c2)cc1 1858651393 QULJYYKDMXQKDV-UHFFFAOYSA-N 458.540 2.291 30 10 JEEE C[C@@H](C(=O)Nc1ccc(C#N)cc1)N1CCN(c2nnc(Cc3ccc(F)cc3)c(O)n2)CC1 1859430374 YYVYKINWEBKYQO-INIZCTEOSA-N 461.501 2.328 30 10 JEEE CCCCCCCCNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1ccc2c(c1)C(=O)N(CCCOC)C2=O 1861516502 JSXOIALEUVWBFN-KNQAVFIVSA-N 487.597 2.371 30 10 JEEE COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCNC(C)=O)cc1OC 1862610371 IYZJLYMDMLEBSD-QFIPXVFZSA-N 482.489 2.189 30 10 JEEE Cc1nc(CNC(=O)OC(C)(C)C)sc1C(=O)N[C@H](CO)C(=O)Nc1ccc(C#N)cc1 1867083711 QGJNDCFJRUNALJ-OAHLLOKOSA-N 459.528 2.077 30 10 JEEE C=CCn1cc(OCC(=O)N[C@@H](C)c2ccccc2)c(=O)cc1CN1CCN(c2ncccn2)CC1 1870415328 XKKPJHNFNNJKRY-NRFANRHFSA-N 488.592 2.403 30 10 JEEE C=CCn1cc(OCC(=O)Nc2cccc(C(C)=O)c2)c(=O)cc1CN1CCN(CC)CC1 1870646562 CCMZNSGUMDUWFM-UHFFFAOYSA-N 452.555 2.392 30 10 JEEE C=CCN=c1nc(Nc2ccc(N3CCN(C)CC3)cc2)[nH]c(N(CCO)Cc2ccccc2)n1 1871657314 POZITILFIFMWHM-UHFFFAOYSA-N 474.613 2.386 30 10 JEEE C=CCn1c(C(=O)NCCCCN(CC)CC)cc2c(N3CCN(C(C)=O)CC3)ncnc21 1873594971 JYCMDFTYRPQBFP-UHFFFAOYSA-N 455.607 2.138 30 10 JEEE COc1cc(/C=N/n2c(CNC(C)=O)nnc2SCC(N)=O)ccc1OCc1ccc(C)cc1 1874432376 BROHODBXWUFQPB-KBKYJPHKSA-N 482.566 2.270 30 10 JEEE COc1cc(Cn2cccc(C(=O)N3CCC[C@H](Oc4nccnc4C#N)C3)c2=O)cc(OC)c1 1891636349 BSMXGVDHZPYFCM-SFHVURJKSA-N 475.505 2.259 30 10 JEEE CCOc1ccc(-c2ccc(=O)n([C@H](C)C(=O)N3CCN(c4ncccc4C#N)CC3)n2)cc1 1892230357 PUVWQQMXKUELNQ-GOSISDBHSA-N 458.522 2.485 30 10 JEEE CCOP(=O)(OCC)c1c(S(C)(=O)=O)nn(-c2ccncc2C#N)c1Br 2080593656 HUTFVHSEFLQENM-UHFFFAOYSA-N 463.250 2.196 30 10 JEEE Cc1cc(S(=O)(=O)N(C)CCNC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2255744837 MFBXLDMWKWHLSH-UHFFFAOYSA-N 454.398 2.439 30 10 JEEE CC(C)(C)OC(=O)NCC[C@H](O)C(=O)Nc1nc(B2OC(C)(C)C(C)(C)O2)ccc1Cl 2256671907 ZJTZDJDHLQJNAV-ZDUSSCGKSA-N 455.748 2.248 30 10 JEEE Cn1nc(C(=O)N[C@H]2CC[C@H]2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2267197422 KTJASFGDWKZSOF-STQMWFEESA-N 468.791 2.406 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H]1NS(=O)(=O)c1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2267468684 XOAANHQAXPMWSN-IRXDYDNUSA-N 470.372 2.459 30 10 JEEE CCCN(CCNC(=O)c1c(C)nn(C)c1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2267529751 PFUKNLNKRGJALH-UHFFFAOYSA-N 450.389 2.405 30 10 JEEE Cc1csc(C(=O)NC[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267536760 DXSAMFSGKOOKGL-JOCHJYFZSA-N 466.409 2.457 30 10 JEEE CO[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2267547193 HJQWPTXCYPSJMP-GJZGRUSLSA-N 467.397 2.197 30 10 JEEE C[C@H](CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(O)cc1O)N(C)C(=O)OC(C)(C)C 2267801976 MHDMHAHQKHVNGO-CYBMUJFWSA-N 450.341 2.382 30 10 JEEE C[C@H](NC(=O)CN1CC(NC(=O)OC(C)(C)C)C1)c1cscc1B1OC(C)(C)C(C)(C)O1 2268714999 FGUZJGBABRZMBP-AWEZNQCLSA-N 465.425 2.433 30 10 JEEE CC(C)(C)OC(=O)N=S1(=O)CC2(CN(C(=O)c3ccncc3B3OC(C)(C)C(C)(C)O3)C2)C1 2281801767 GXCAUFCALLPXNO-UHFFFAOYSA-N 477.392 2.240 30 10 JEEE Cc1c(C(=O)N(CCNC(=O)OC(C)(C)C)CC(F)F)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281804743 PDCPWOYRAZIPQD-UHFFFAOYSA-N 472.342 2.260 30 10 JEEE CC[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2281973882 VGCOHRMNTQOYAM-RDJZCZTQSA-N 462.400 2.485 30 10 JEEE CCc1nn(C)c(C(=O)N[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2281992661 QACPLXLDPZUOJP-OAHLLOKOSA-N 462.400 2.411 30 10 JEEE C[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)N(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)C1 2282038658 LFAZVCLOZOKRHT-JKSUJKDBSA-N 462.400 2.485 30 10 JEEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(Cc2ccccc2)CCC1(C)C 2282191687 YDWKFUZRVFVMQB-UHFFFAOYSA-N 453.396 2.241 30 10 JEEE C[C@H](CCCN(C)C(=O)OC(C)(C)C)NS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282503628 CNVAJIDMQMUXGJ-OAHLLOKOSA-N 486.444 2.033 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC2(C)CCN(C(=O)OC(C)(C)C)CC2)n1 2282551649 LGKYEFUTKURVHH-UHFFFAOYSA-N 462.400 2.486 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1SC 2282609353 HEBPZVOUYBCLLW-CVEARBPZSA-N 480.440 2.283 30 10 JEEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCN(Cc2ccccc2)CC1(C)C 2282695747 SNZNEPOFLZVQJT-GOSISDBHSA-N 453.396 2.145 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)[C@H]2CC[C@H]21 2282696784 ILBSUDWMYMRSKA-HYVNUMGLSA-N 458.368 2.294 30 10 JEEE C[C@@H]1CCN(S(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CCN1Cc1ccccc1 2282842835 DOFCKTSTKPRHDN-GOSISDBHSA-N 474.436 2.004 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C1)[C@@H]2NS(=O)(=O)Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2282878625 IQAURMHLFWOUPY-REPLKXPHSA-N 478.420 2.271 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)N2CCc3ccc(B4OC(C)(C)C(C)(C)O4)cc32)C1 2284045569 OOZSOIDRLVHXIQ-DEOSSOPVSA-N 458.364 2.247 30 10 JEEE C=CC1(N[C@]2(C(=O)O)C[C@@H](OC)CN(C(=O)OC(C)(C)C)C2)CN(C(=O)OC(C)(C)C)C1 2325157612 YWQVYIIGSGYPJB-IVZQSRNASA-N 455.552 2.231 30 10 JEEE COC(=O)CSc1nnc([C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)n1N=Cc1ccc[nH]1 2325881670 JBYICHUEMQCRQG-CQSZACIVSA-N 454.512 2.283 30 10 JEEE Cc1ccc(O)c(C=Nn2c(SCC(N)=O)nnc2[C@@H]2CC(=O)N(Cc3ccccc3)C2)c1 2325917410 NYIYWFRVWPXQRG-GOSISDBHSA-N 464.551 2.268 30 10 JEEE COC(=O)c1ccc(CSc2nnc(CNC(C)=O)n2N=Cc2cccc(OC)c2O)o1 2330752838 VDEGSLJSLJRFKH-UHFFFAOYSA-N 459.484 2.183 30 10 JEEE COc1ccc(C=Nn2c(CNC(C)=O)nnc2SCC(=O)NC2CCCCC2)c(OC)c1 2330770145 QTGXSVMVMNDLSJ-UHFFFAOYSA-N 474.587 2.355 30 10 JEEE Cn1cc(C(=O)N2CC[C@H]3C[C@]2(CNC(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)n1 2366376904 RFKYIOCNDWQXNG-GUJKFWMDSA-N 460.384 2.239 30 10 JEEE COC(=O)c1ccc(/C=N/Nc2nnc(SCC(=O)NCc3ccc(Cl)cc3)n2N)cc1 20913446 JKNOIPHWORWIIQ-BHGWPJFGSA-N 473.946 2.286 30 10 JEEE CCCCc1nnc(N2C(=O)Cc3c2nc(N)c2c(N)nc(N4CCC[C@@H](O)C4)c(C#N)c32)s1 32682191 NJMQHOLIMWEPTO-LLVKDONJSA-N 479.570 2.042 30 10 JEEE C=CCN1C(=O)[C@@]2(/C(=C(/O)c3ccc(C)o3)C(=O)C(=O)N2CCCN2CCOCC2)c2ccccc21 102549429 NPEDVTZSUWKHFI-PDOAKGDFSA-N 491.544 2.419 30 10 JEEE O=C(O)CCCC(=O)N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(OC(F)(F)F)cc1 254849763 UDOBRHAEFPITPI-CHWSQXEVSA-N 466.459 2.442 30 10 JEEE C=CCc1cc([N+](=O)[O-])ccc1OCC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1 513633757 QAKCXQWTRMVTDB-UHFFFAOYSA-N 487.534 2.438 30 10 JEEE CC1(C)OB(c2cnc(CNS(=O)(=O)CCCOCc3ccccc3)s2)OC1(C)C 714633734 ONFQFNQBALGYFO-UHFFFAOYSA-N 452.407 2.469 30 10 JEEE CCO[C@@H]1CN(C(=O)C#CCNC(=O)OCC2c3ccccc3-c3ccccc32)C[C@H]1C(=O)O 757470609 KFMDDPSMXPORAL-FYYLOGMGSA-N 462.502 2.477 30 10 JEEE C=CCNC(=O)CN1CCN(C(=O)C2(Nc3ccccc3)CCN(C(=O)OC(C)(C)C)CC2)CC1 919976244 FONJKEPUHLCXAI-UHFFFAOYSA-N 485.629 2.315 30 10 JEEE COc1cc(C=NNc2nnc(SCC(=O)Nc3ccccc3C)n2N)cc([N+](=O)[O-])c1O 1083852042 VSLODQZPSYZMLH-UHFFFAOYSA-N 472.487 2.100 30 10 JEEE COc1ccc(C(C)=NNc2nnc(SCC(=O)Nc3cccc([N+](=O)[O-])c3)n2N)cc1 1083915741 VTAZYTXUQGFTGO-UHFFFAOYSA-N 456.488 2.476 30 10 JEEE COc1ccc(C(C)=NNc2nnc(SCC(=O)Nc3ccc4c(c3)OCCO4)n2N)cc1OC 1083924057 NZUPGSFLZGKTRS-UHFFFAOYSA-N 499.553 2.347 30 10 JEEE Nn1c(NN=Cc2ccco2)nnc1SCC(=O)Nc1ccc(I)cc1 1084318543 ZSRGRFAAESXLBM-UHFFFAOYSA-N 483.295 2.366 30 10 JEEE COc1ccc(CNC(=O)CSc2nnc(NN=C(C)c3cccc(OC)c3)n2N)cc1 1084500029 INXIZRNGSWQSAI-UHFFFAOYSA-N 455.544 2.254 30 10 JEEE C=CCn1c(S)nc2cc(C(=O)N[C@H](C(=O)OC)c3ccc4c(c3)CCO4)ccc2c1=O 1138679999 FJHFXYDSHHECQF-IBGZPJMESA-N 451.504 2.450 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1 1200204789 OMPMDFMNKZFCTJ-UHFFFAOYSA-N 454.556 2.255 30 10 JEEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc3nc(Cc4ccccc4)oc3c2)CC1 1201784922 ARWVCJFEMAIDTR-UHFFFAOYSA-N 453.524 2.036 30 10 JEEE C#C[C@H](NC(=O)N1CCCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)c1ccccc1 1230489865 XTTLBKBCPPCMPH-FQEVSTJZSA-N 455.536 2.238 30 10 JEEE C=CCNC(=O)c1ccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 1264729689 AZVBJDLWZBQPLP-LJQANCHMSA-N 458.496 2.302 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCCOc1ccccc1)[C@H]1CCS(=O)(=O)C1 1286379738 BQELEGYLLNCAQV-IBGZPJMESA-N 494.577 2.021 30 10 JEEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCN1CCOC(C)(C)C1 1286430530 IDJMQKHQDXJABV-UHFFFAOYSA-N 476.629 2.026 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@]1(N(C)C)CCC[C@@H](C)C1 1286517790 VZNVWMHOFHZCOE-OSZJIOELSA-N 450.653 2.391 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1286545698 AKPBNIKWJJJQDI-PMACEKPBSA-N 460.623 2.481 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C(=O)COC)CC1 1286551064 GKOCOHQTSTWZHC-JPYJTQIMSA-N 485.585 2.239 30 10 JEEE C=CC[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CNS(C)(=O)=O)CC1)c1ccccc1 1286678976 HWTKKWIYKYXSTD-RTWAWAEBSA-N 486.642 2.355 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H](N2CCCC2)C1 1286778754 AIZZJVKTWCXQHL-INIZCTEOSA-N 462.396 2.403 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC(C(=O)Nc2ccc(C)cn2)CC1 1286787873 KYMMGBQCGDPLME-LJQANCHMSA-N 467.574 2.380 30 10 JEEE C=CCOc1ccc(Cn2c(Cc3cccnc3)nnc2N2CCO[C@@H](CNC(C)=O)C2)cc1 1286797417 VXQMTVVHZDANLG-QHCPKHFHSA-N 462.554 2.218 30 10 JEEE CN(C)CCN1CCC(Cn2c(CCc3ccccc3)nnc2N2CCO[C@H](C#N)C2)CC1 1298084425 HNAFJDFMWHNIHA-HSZRJFAPSA-N 451.619 2.066 30 10 JEEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C(F)F)c1 1298875933 QEFFTMXDNSIUOY-INIZCTEOSA-N 459.515 2.478 30 10 JEEE COc1cc(-c2nnc(N(C)C[C@@H](C)C#N)n2CC2(S(C)(=O)=O)CC2)cc(OC)c1OC 1299836200 ATNKTTWVDAMHCI-AWEZNQCLSA-N 463.560 2.144 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2CC2(S(C)(=O)=O)CCC2)c1 1300330453 AJVZOJFLRYKGFQ-UHFFFAOYSA-N 478.578 2.364 30 10 JEEE C#CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](C(=O)OC)C1 1300362973 BLJMUZSYDYKRFX-QZTJIDSGSA-N 461.563 2.389 30 10 JEEE C#CCN(c1nnc(-c2ccc3ccccc3n2)n1CCC(=O)NC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1300488244 CFEBGXRIYMGOAP-LJQANCHMSA-N 494.621 2.425 30 10 JEEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1CCCC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1300505298 ZGRRWDFCGDVWQK-GOSISDBHSA-N 494.017 2.006 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CC2(N(C)C)CCC2)CC1 1300729164 OVHNXLAGHVHYIU-UHFFFAOYSA-N 455.632 2.084 30 10 JEEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1300823405 GMXGYTDNEVQQBB-INIZCTEOSA-N 464.368 2.217 30 10 JEEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](O)(Cc2cccc(Cl)c2)C1 1300928780 NZEZMNOOAIDXBI-MGPUTAFESA-N 453.996 2.302 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(OC)c(Cl)c2)CC1 1301086691 NEXLKWLDHUUFSY-IBGZPJMESA-N 482.006 2.478 30 10 JEEE C=CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1301197235 QPRLKFBUGFFMME-UHFFFAOYSA-N 474.009 2.038 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCN(c2ncccc2C#N)CC1 1301514710 LWFUCPBEJZCSNX-UHFFFAOYSA-N 486.580 2.369 30 10 JEEE C=CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(CCOC)C(=O)C1 1301624595 WATRRSNHBASEAE-IEBWSBKVSA-N 451.637 2.411 30 10 JEEE CC(=O)N1CCC[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CC(=O)NC(C)(C)C)C1 1301677973 LVYLLVFDKZKFKR-LJQANCHMSA-N 451.575 2.426 30 10 JEEE CC(C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCOC[C@@H]2C)CC1 1303457024 CWXYMDRZYVBTLJ-UGKGYDQZSA-N 465.602 2.136 30 10 JEEE CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)c2ncc(C)s2)CCO1 1315015512 IEOFXYBXCDDOAA-DNVCBOLYSA-N 481.582 2.249 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCCN1CCC[C@H]1CO 1358885925 ULUNOSVNKALKNQ-UXHICEINSA-N 477.613 2.370 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CC1(CCOC)CC1)[C@@H]1CCS(=O)(=O)C1 1358957861 BPSFDNYZDPFHRF-HXUWFJFHSA-N 453.568 2.260 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@]1(O)CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1358962436 PQFHCFNIRUHNQA-FGSXEWAUSA-N 450.605 2.088 30 10 JEEE C#CCN(c1nnc(CC)n1Cc1cn2cc(Cl)cc(Cl)c2n1)[C@@H]1CCS(=O)(=O)C1 1358963049 AZVQQEPKMSFPCI-OAHLLOKOSA-N 467.382 2.470 30 10 JEEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1C[C@H](F)COC)[C@@H]1CCS(=O)(=O)C1 1358967425 KETLQLLZFUQLOD-DLBZAZTESA-N 470.954 2.122 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCN1CCN(C(C)=O)CC1 1358969693 URIBGOZETASDST-LJQANCHMSA-N 468.989 2.308 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2ccc(OCCC)nc2)CC1 1359031983 WWCCEAPCKOUUTP-UHFFFAOYSA-N 494.621 2.336 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@](C)(O)C(C)C)CC1 1359042640 OGSNGHGXZGPTJQ-VWLOTQADSA-N 469.586 2.335 30 10 JEEE C#CCSCCn1c(-c2ccc(Br)cc2)nnc1N1CCN(CCOC)C(=O)C1 1359050998 JKDDRWMOBDXNBU-UHFFFAOYSA-N 478.416 2.369 30 10 JEEE C#CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCCN(CCC)C(=O)C1 1359056778 LFTBHRARGQPJCR-UHFFFAOYSA-N 482.658 2.267 30 10 JEEE C=CCCCCn1c(N2CCN3C(=O)N(CC)C(=O)[C@@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1359206873 RYEBCRJOSGEEAA-MBSDFSHPSA-N 460.579 2.148 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1359291907 DSPJFWPBBZOGPJ-KOSHJBKYSA-N 472.565 2.160 30 10 JEEE CC(=O)c1cc(C#N)ccc1NC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C 1460127425 AWAVOZOFTBOACI-UHFFFAOYSA-N 453.524 2.469 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C(=O)N(CC)CC)cc1 1507538611 NYSIKNXRQXOVOO-YLJYHZDGSA-N 457.600 2.168 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCCO3)n2CCCC(=O)N(C)C)c1 1507549912 BMUYWJCMKRUPAR-FQEVSTJZSA-N 452.559 2.444 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H](C)c1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 1507622680 KKZFQIBXCVEYMA-UYAOXDASSA-N 457.600 2.155 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCc1c(C)cccc1C)[C@@H]1CCS(=O)(=O)C1 1507623857 YLFSBUBUQMWBPI-HXUWFJFHSA-N 492.605 2.412 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CC=CCC2)n1 1507717474 UDYRASJSMVJGSE-VQTJNVASSA-N 472.615 2.019 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2CCCN2CCCCC2=O)CC1 1507735023 HSIBDWBHCYCLOO-UHFFFAOYSA-N 478.597 2.322 30 10 JEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)Nc2ccc(C)cn2)CC1 1507753222 DCXQNNYIEPLFJP-GOSISDBHSA-N 467.599 2.154 30 10 JEEE C=C(C)COCCn1c(-c2ccccc2F)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1507839490 FUCJWBVXPYKGED-QGZVFWFLSA-N 451.568 2.443 30 10 JEEE C=CCCOCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1507962243 OOVOCMSLJONXBZ-SFHVURJKSA-N 465.558 2.491 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCOC(C)(C)C1 1507998979 KDSBJULRWVRSSX-QFIPXVFZSA-N 498.653 2.355 30 10 JEEE C=CCn1c(COc2ccc(Br)cc2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1508065542 IEGQCZFKRMVATG-MRXNPFEDSA-N 470.393 2.324 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](C(C)C)C1 1508090845 KDYOQKHDDPYVRI-ZWKOTPCHSA-N 462.595 2.371 30 10 JEEE CC(=O)NCC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCSCC2)CC1 1508360337 HAUGFRUIOIWIBS-UHFFFAOYSA-N 453.616 2.218 30 10 JEEE CC(C)(C)NC(=O)CCn1c(-c2cnccn2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1508628769 BYYGCYVIPAVDRV-UHFFFAOYSA-N 473.585 2.234 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@](C)(O)c1cccs1 1510153922 FCLZRSCZTHHJMG-VFNWGFHPSA-N 474.612 2.366 30 10 JEEE C#C[C@@H]1COCCN1C(=O)COc1ccc(N(C)S(=O)(=O)c2ccc(OCC)cc2)cc1 1525110500 XZXMRKYGTCNNMX-GOSISDBHSA-N 458.536 2.150 30 10 JEEE C=C(C)C[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c1)C(=O)OC 1535347380 RBLDFHGJVQWTOW-JKIFEVAISA-N 458.964 2.376 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(C)(C)SC)c1 1539043172 NXKBBDOTJPGNLO-QGZVFWFLSA-N 475.640 2.378 30 10 JEEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@H]1CCCN1c1cnn(C)c1 1539155372 SFZCZERFFLMAIR-GOSISDBHSA-N 465.558 2.443 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1CCc1ccc(OC)c(OC)c1OC)[C@@H]1CCS(=O)(=O)C1 1539203634 SXYVWTKNGOXJPC-GOSISDBHSA-N 490.626 2.471 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCC(=O)NC1CCCCC1)[C@H]1CCS(=O)(=O)C1 1539210242 AHDBZKCEGRMMQF-IBGZPJMESA-N 473.599 2.312 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1CCCCN1CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1539210598 FHEYMCQOXSQRPL-NHCUHLMSSA-N 470.643 2.479 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1CC1(N(C)C)CCCCC1)[C@H]1CCS(=O)(=O)C1 1539211424 LOMMLJHRMHFMEC-IBGZPJMESA-N 456.616 2.231 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1cccs1)N1CCCC1 1539266138 MIJKJCXPWQGEMD-OALUTQOASA-N 457.625 2.152 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1539291693 WGZJIGMQTIGFID-PMACEKPBSA-N 463.586 2.276 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2C[C@]2(O)CCC[C@@H]2C)CC1 1539475443 GKSDYRIHSKCVJD-AVRWGWEMSA-N 451.571 2.471 30 10 JEEE C=C(C)CN(CC)c1nnc(CNC(=O)c2cccs2)n1CC1CCS(=O)(=O)CC1 1539676375 ODGRMFNGBRHTLW-UHFFFAOYSA-N 451.618 2.497 30 10 JEEE C=CCCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 1539998002 YQBJTZQOZIOOQY-FPOVZHCZSA-N 454.623 2.462 30 10 JEEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccccc2[C@@H]1C 1540037501 MRVIZRXPWWAKAG-RXVVDRJESA-N 475.615 2.327 30 10 JEEE C=CCCOCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1540037954 UZDIZNZMNNGKLU-UHFFFAOYSA-N 453.522 2.187 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C)n1CCS(=O)(=O)N1CCSCC1 1540121046 XWMUGYZKMGAHKP-UHFFFAOYSA-N 451.618 2.166 30 10 JEEE C=CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1540856175 XRUYVPMPKHGKRF-YJBOKZPZSA-N 451.535 2.456 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1540863607 ZHTKGLFUWXVKEC-ZHRRBRCNSA-N 494.017 2.389 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCN(c2ccccn2)CC1 1540898794 VBJWVEIHDOEKMB-UHFFFAOYSA-N 468.583 2.276 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1540899497 QIDGSMWXCIXJFW-CVEARBPZSA-N 497.371 2.423 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC1Cc2ccccc2C1 1541115656 CMVQMTYEYOULQN-DYESRHJHSA-N 472.615 2.012 30 10 JEEE CC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)COC)CC1)NC(=O)OC(C)(C)C 1545962507 DXNNAOCUVLZABW-FQEVSTJZSA-N 497.600 2.415 30 10 JEEE COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCO[C@H]2C(C)C)CC1 1555200776 GQZGAINNGBCZHK-IRLDBZIGSA-N 452.559 2.173 30 10 JEEE C=C(C)Cn1c(SCC(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)nnc1-c1ccco1 1584209534 LYKGBAVAJFASGO-QGZVFWFLSA-N 458.588 2.147 30 10 JEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC2(CC1)Cc1ccccc1C2=O 1587808221 OLJHWECJFANMQY-KRWDZBQOSA-N 455.584 2.327 30 10 JEEE C#CCN(c1nnc(-c2cccc3cccnc23)n1C[C@@H](F)COC)[C@H]1CCS(=O)(=O)C1 1588046182 ZEFULVCFLDTQLM-MSOLQXFVSA-N 457.531 2.105 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CCN1CCCC[C@@H]1CC)[C@@H]1CCS(=O)(=O)C1 1588064883 QODHRXUNJGAZAK-FCHUYYIVSA-N 470.643 2.155 30 10 JEEE C#CCN1CCN(c2nnc(CCN3CCN(c4ccccc4)CC3)n2C[C@](C)(O)[C@H](C)CC)CC1 1588858098 XRDNWRYCGOAXPK-YWEHKCAJSA-N 493.700 2.195 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCC[C@@H]1NC(=O)NC1=O 1589143018 VOOMOKXAVSZXLF-MHECFPHRSA-N 463.542 2.128 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1589185716 HQXHHKQZCCXMTE-DNQXCXABSA-N 488.610 2.283 30 10 JEEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1593636561 OASHEUGLINAXSG-HTAPYJJXSA-N 481.619 2.178 30 10 JEEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1593884720 JTCRGYOUSUVYRC-HOTGVXAUSA-N 490.026 2.352 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(Oc2ccc(C)cc2)CC1 1595467667 YDDOKEWDBUDYBD-UHFFFAOYSA-N 452.559 2.173 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1595501621 ZWXUYXWLDUHPFY-YLJYHZDGSA-N 458.994 2.448 30 10 JEEE C=CC[C@@]1(C(=O)NC[C@H](O)CS(=O)(=O)c2cccs2)CCCN1C(=O)OC(C)(C)C 1597165238 BQIYJHUYRVFKCO-YWZLYKJASA-N 458.602 2.345 30 10 JEEE N#CCn1cc(NC(=O)[C@@H](Cc2cccc(Br)c2)[C@H]2CCS(=O)(=O)C2)cn1 1597840760 CIWOTJUZZLEMNQ-YOEHRIQHSA-N 451.346 2.401 30 10 JEEE CC[C@H](NS(=O)(=O)c1ccc(Br)c(C#N)c1)c1cccc(S(N)(=O)=O)c1 1621764989 GAUBNGPMXHNOGM-INIZCTEOSA-N 458.359 2.398 30 10 JEEE C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@H](O)COc2ccc(C(F)(F)F)cc2)c1 1654298801 FZZPPHJFLFGWMT-INIZCTEOSA-N 458.458 2.339 30 10 JEEE C=CC[C@@H](NC(=O)N1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1)c1ccncc1 1669193537 YEMQQPDGQLXMES-HXUWFJFHSA-N 457.556 2.407 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccc(OCCC)cc1)[C@H]1CCS(=O)(=O)C1 1689987805 CORLBKZIHBOEIO-FQEVSTJZSA-N 468.583 2.142 30 10 JEEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cccc(CN2CCOCC2)c1 1690061400 WXPPQDMXVMFKEN-RUZDIDTESA-N 453.587 2.270 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(=O)N(C)C1CCCCC1 1690101037 LYKJEPZAOXWTTH-UHFFFAOYSA-N 491.596 2.069 30 10 JEEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2CCNC(=O)c2cccs2)CC1 1690130303 DSTBOWSPTZXXRI-UHFFFAOYSA-N 478.622 2.319 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCN(CC)C(C)C)CC1 1690146245 IZDAQXCJGYRBHT-QHCPKHFHSA-N 480.613 2.487 30 10 JEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 1690180748 LCLCWUSGFHVXPM-QGZVFWFLSA-N 475.640 2.368 30 10 JEEE C#CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](C(N)=O)C1 1690186041 KXEUIGUTCXNQPI-IRXDYDNUSA-N 462.620 2.418 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCOCCS(C)(=O)=O 1690216345 NSNRUDAROJHTCG-IEGUWTFLSA-N 495.646 2.102 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCCN(c2cc(OC)cc(OC)c2)CC1 1690672864 GJOYBIAEKOTWOA-UHFFFAOYSA-N 491.596 2.300 30 10 JEEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1690674785 FJCLZQFPALUJOH-HXUWFJFHSA-N 484.601 2.095 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC(=O)Nc2ccc(F)cc2)C1 1690688560 XNXQQKMLUSTHTG-XXBNENTESA-N 459.522 2.489 30 10 JEEE CC[C@@H](C)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCS(=O)(=O)NC(C)C 1694130391 FZQSRZYVPQNSPD-GOSISDBHSA-N 459.620 2.318 30 10 JEEE COC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](c3cccc(C#N)c3)C2)CCCC1 1697224655 HKCKYFJABFWQCL-YLJYHZDGSA-N 488.614 2.297 30 10 JEEE COc1ccc(CCc2nnc(N3CC[C@@](F)(C#N)C3)n2CC2(CS(C)(=O)=O)CC2)cc1 1697402857 HIMHDFFQKUIXHZ-JOCHJYFZSA-N 461.563 2.339 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](CC)N1CCc2ccccc2C1 1705477102 JGIVKECPBDNGGW-UEXGIBASSA-N 458.632 2.183 30 10 JEEE C#CCN(c1nnc(CSc2ccc(Cl)cc2)n1Cc1ncn(C)n1)[C@H]1CCS(=O)(=O)C1 1705572016 OUIIBJOUCLXTMW-INIZCTEOSA-N 492.030 2.027 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1Cc1cc(F)ccc1N1CCOCC1 1705588047 UCHKJYDDASEILL-UHFFFAOYSA-N 464.545 2.001 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC(O)(CC)CC)CC1 1705632535 SSZJHHFFQQBMHX-UHFFFAOYSA-N 458.994 2.168 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CC[C@H]2CCOc3ccccc32)CC1 1705644261 KIFJKEZVRWFSPZ-IBGZPJMESA-N 478.597 2.339 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@@H](OC)c2ccc(F)cc2)CC1 1705648481 XJRYSVBKSANAJQ-OAQYLSRUSA-N 463.517 2.228 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccnc(SC)c2)CC1 1705652500 BOICYHCCKWUTFR-FPOVZHCZSA-N 484.626 2.133 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2cc(F)ccc2OC)CC1 1705652559 DRZKNFAHNAPLGE-AVRDEDQJSA-N 485.560 2.164 30 10 JEEE C=C(C)COCCn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1705731238 UFCILFGUHIUZLZ-OAQYLSRUSA-N 455.559 2.374 30 10 JEEE C=C(C)COCCn1c(Cc2ccccc2OC)nnc1N1CCc2nn(C)c(=O)cc2C1 1705738899 OGBBFGFQDBXROG-UHFFFAOYSA-N 450.543 2.127 30 10 JEEE C=CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1705835431 KKJGUFSMXDENLZ-KNKQGSTJSA-N 467.636 2.145 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1705899890 JWJIHIYFFZCICD-UHFFFAOYSA-N 473.599 2.194 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1705906592 JQYKTCYNJYIFSU-UHFFFAOYSA-N 492.540 2.098 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C)N2CCc3ccccc32)C1 1705917707 YSCMYSVDMGKHQQ-CMKODMSKSA-N 474.631 2.121 30 10 JEEE CC(C)(C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1706152342 DUCZVYPMQQDFPV-HXUWFJFHSA-N 462.558 2.223 30 10 JEEE CNC(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCn2cc(Cl)cn2)C1 1711347796 HCGIAFMXQYYYJW-KRWDZBQOSA-N 468.949 2.241 30 10 JEEE C#CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](C(=O)NC)C1 1722317731 WQFZFZQUJSGNIK-RTBURBONSA-N 474.606 2.352 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@H]1CCCN(C(C)C)C1)[C@H]1CCS(=O)(=O)C1 1722367724 XJFDWBYWDULFBJ-FPOVZHCZSA-N 490.699 2.381 30 10 JEEE C#CCSCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN2CCOC[C@H]2C1 1722459588 NPDAHAUBQXMDHX-WOJBJXKFSA-N 490.674 2.280 30 10 JEEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1722620341 LKCJHTCGKQFHKG-SFHVURJKSA-N 453.547 2.109 30 10 JEEE C=CCCOCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCNC(=O)CC1 1722628263 VJEHDGIWYPDVPI-UHFFFAOYSA-N 462.595 2.312 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(C)on1 1722655422 MBJOMSMYOYGMEU-MRXNPFEDSA-N 455.544 2.297 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCCN(C(=O)C2CC2)CC1 1722689979 CDJINTIHFISYNY-QGZVFWFLSA-N 470.549 2.308 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1 1722698845 NMKHHRUPQRKACU-FUHWJXTLSA-N 462.595 2.214 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CCCN(C)C(=O)OC(C)(C)C 1723926854 DQEVXFDSRQSTKQ-MRXNPFEDSA-N 483.639 2.275 30 10 JEEE CCCC(O)(CCC)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)COC)CC1 1727958969 BVHVROKGOKZXOJ-UHFFFAOYSA-N 454.575 2.443 30 10 JEEE CCS(=O)(=O)N(C)CCCn1c(-c2ccccc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1729213529 HHLFGRNODAGPHV-UHFFFAOYSA-N 494.625 2.210 30 10 JEEE CNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@H](C)N2CCCCC2)CC1 1729733436 GHXBLEYABZZOBD-FQEVSTJZSA-N 480.617 2.455 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2CCc2ccncc2)c1 1740565331 RSPXGOCSLRJHMH-UHFFFAOYSA-N 457.538 2.094 30 10 JEEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1Cc1ccc(C(N)=O)nc1 1740637506 DAIMSCPDPNASJJ-UHFFFAOYSA-N 477.569 2.008 30 10 JEEE C=C(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1740781886 IEWLGCZYUZCHMX-UHFFFAOYSA-N 464.574 2.160 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 1740955861 BXORZGZRQDZDJI-UHFFFAOYSA-N 483.935 2.284 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 1740993170 USUJTXJFXBIQJA-IBGZPJMESA-N 490.630 2.216 30 10 JEEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CC(C)(C)CN1CCOCC1 1748745638 WCIVZVBNBXTAEY-UHFFFAOYSA-N 477.613 2.400 30 10 JEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc(OC)cc1OC 1748841098 SQDIWOZSYSFGBM-UHFFFAOYSA-N 478.578 2.377 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1cc(C)nn1C 1748948024 DSVYGKZDWIUPSI-UHFFFAOYSA-N 455.950 2.038 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 1748959552 WQNNAAGRMHUEIV-GOSISDBHSA-N 455.563 2.468 30 10 JEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1Cc1cccc(NC(C)=O)c1 1748960989 TZDHEOOHUUYPSK-UHFFFAOYSA-N 450.499 2.099 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCC2(OC)CCC2)CC1 1748979576 FPKGCRXZRPWPBJ-UHFFFAOYSA-N 457.600 2.063 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cn4ccccc4n3)n2CC(=C)Br)CC1 1749016577 GIVILFULLIVKBT-UHFFFAOYSA-N 482.386 2.391 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)NC2CCCCC2)CC1 1749039334 SJRSRBWITSRYRK-LJQANCHMSA-N 493.699 2.212 30 10 JEEE C=C(C)Cn1c(CCOc2ccccc2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1749200425 GFQCSYKACHXGDJ-NZQKXSOJSA-N 452.603 2.465 30 10 JEEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)c1cccs1 1749228544 BDXPUOQCSKZLNE-IRXDYDNUSA-N 469.633 2.463 30 10 JEEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC2CCOCC2)CC1 1749235439 QVSMLUDSVVDLQS-UHFFFAOYSA-N 457.623 2.281 30 10 JEEE C=C(Cl)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1749276009 BNBHSPXMIJFFFY-UHFFFAOYSA-N 471.009 2.260 30 10 JEEE C=CCCOCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@](C)(C(=O)NC)C1 1749457707 OQPVDNKTBHUGHS-KOSHJBKYSA-N 492.621 2.142 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](c2ccccc2)N2CCOCC2)C1 1749693445 IZDKNVWHJQGKRP-FCHUYYIVSA-N 468.602 2.271 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2CC[C@H](CO)O2)C1 1749697082 ZXLHRQFUHZHJSE-OWCLPIDISA-N 452.353 2.357 30 10 JEEE COCCN(CCC#N)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H]1CCCCS1(=O)=O 1749821536 CFYNGOHZYMWVPN-HXUWFJFHSA-N 488.614 2.481 30 10 JEEE CSC1(Cn2c(-c3cccc(C#N)c3)nnc2N2CC(=O)N(C)C[C@H]2C)CCN(C)CC1 1750257804 FHNRPUZXLNPWCB-QGZVFWFLSA-N 453.616 2.311 30 10 JEEE CC(C)C(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1750572417 GYYKZJJSAWAOTO-UHFFFAOYSA-N 481.601 2.196 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[C@@H]2CCO[C@H](C)C2)c1 1760128511 KMTUGMGCRNLANI-HMXCVIKNSA-N 499.637 2.442 30 10 JEEE C#CCCCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1760154715 YYHNVJXGEHVOBR-MRXNPFEDSA-N 451.543 2.326 30 10 JEEE C#CCN(c1nnc(-c2cc(C)nc3ccccc23)n1CCOCCN(C)C)[C@@H]1CCS(=O)(=O)C1 1760180949 NIGYNDZEGPEMKH-HXUWFJFHSA-N 496.637 2.007 30 10 JEEE C#CCN(c1nnc(C(C)C)n1C[C@](O)(c1ccccc1)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1760182290 HVTXSLGXYOFLNE-XLIONFOSSA-N 470.517 2.478 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@H]1CCN(CC(F)(F)F)C1)[C@H]1CCS(=O)(=O)C1 1760184144 VRQILNWXENWEGM-CVEARBPZSA-N 461.554 2.087 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1ccc(NC(C)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1760190068 XWKCPLZUXBMDPO-NHCUHLMSSA-N 471.583 2.153 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CC1([S@@](C)=O)CCC1)[C@H]1CCS(=O)(=O)C1 1760192055 PYAMVSAJGNHNCX-PSTIOWGYSA-N 490.651 2.093 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](c2ccc(CC)cc2)N(C)C)CC1 1760252968 ZMFCDOXUQVDMIS-QHCPKHFHSA-N 463.630 2.135 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2coc(-c3ccccc3)n2)CC1 1760264970 IUYPTWABQLAQFT-UHFFFAOYSA-N 475.553 2.085 30 10 JEEE C=C1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CC[S@@](=O)CC)CC1 1760383247 KVZWNRBDOKZIII-PMERELPUSA-N 450.634 2.472 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccccc2Cl)CC1 1760389045 ATCJTFDTNSRUKI-SFHVURJKSA-N 451.980 2.469 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C[C@H]1CCOC1)C1CC1 1760412391 KLMRMKHDFGRWBR-MJGOQNOKSA-N 467.636 2.219 30 10 JEEE C=CCN(C)c1nnc(-c2cccc3cccnc23)n1CCS(=O)(=O)N1CCSCC1 1760459413 SDFDYTSCFRLJPL-UHFFFAOYSA-N 458.613 2.494 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@H](CC)O[C@H](C)C1 1760515103 KWQAIOKZMZUKQY-HIFRSBDPSA-N 451.369 2.352 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(F)cc2Br)nnc1N(C)[C@H](C)CS(C)(=O)=O 1760517906 BOMXBXYXSPRXHP-GFCCVEGCSA-N 488.383 2.018 30 10 JEEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1760526032 AXLXLFCHUCYBFM-UHFFFAOYSA-N 481.601 2.194 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H](C(=O)NCCC)C1 1760529165 YGWOPBOMCNKYRL-NLWGTHIKSA-N 460.623 2.242 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](CNC(C)=O)C1 1760532975 KQHOBUSORWWOCO-UYAOXDASSA-N 452.559 2.195 30 10 JEEE CCN(CCS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1CC1(C)CCOCC1 1765291618 BISRMUSSQLQOGP-UHFFFAOYSA-N 461.588 2.416 30 10 JEEE CCN1CCCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CCOC)CC1 1765464295 DVGCTNUHALUOIN-QFIPXVFZSA-N 467.618 2.372 30 10 JEEE CNC(=O)[C@@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1CC1(SC)CCOCC1 1767598451 HBHBMCLMUOLORM-KRWDZBQOSA-N 472.615 2.459 30 10 JEEE COCCn1cc(Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CC[C@](F)(C#N)C2)cn1 1771121524 GHELSPVBACYWQI-QHCPKHFHSA-N 466.521 2.480 30 10 JEEE N#Cc1ccc(OCc2nnc(N3CCC(CCC(N)=O)CC3)n2C[C@@]2(O)CCSC2)cc1 1771534599 HZNFQSMQWVDKLX-QHCPKHFHSA-N 470.599 2.079 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCNC(C)=O)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1OC 1862574697 NBUHWCSSJVNDFB-HXUWFJFHSA-N 469.450 2.326 30 10 JEEE COC(=O)CSc1nnc([C@H]2CC(=O)N(c3ccc(OC)cc3)C2)n1/N=C/c1ccc(O)c(O)c1 1874200989 OYPQAIPIPWXIRJ-OWLNGIFZSA-N 497.533 2.366 30 10 JEEE CC(C)(C)OC(=O)N1CCN([C@]2(CN)CN(Cc3ccccc3)[C@]3(CCOC3)C2)[C@H](C#N)C1 1881500364 LDYZSYVISYEIJE-NQHRYMMQSA-N 455.603 2.194 30 10 JEEE Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CCC(=O)N1CCC(COc2ncccc2C#N)CC1 1891389805 KBDFJNMYRFACBU-OAQYLSRUSA-N 485.610 2.376 30 10 JEEE Cn1cc([C@@H](NC(=O)OC(C)(C)C)C(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)cn1 2206637735 WLALYNUGWYHVMK-QGZVFWFLSA-N 457.340 2.319 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)c2ccsc2B2OC(C)(C)C(C)(C)O2)CCO1 2255646586 WRVAYKZEKYUDHQ-AWEZNQCLSA-N 452.382 2.413 30 10 JEEE CC(C)(C)OC(=O)N1CC(F)(CNS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2255750521 LCGLZZCWBLFTLF-UHFFFAOYSA-N 476.401 2.285 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(F)c(C(=O)NC[C@H](CO)NC(=O)OC(C)(C)C)c1 2267162115 LEVLEEXBVWOMLD-CQSZACIVSA-N 452.332 2.049 30 10 JEEE CC(C)(C)OC(=O)NCCc1nc(NC(=O)c2ccsc2B2OC(C)(C)C(C)(C)O2)n[nH]1 2267175324 KFJNISUEAAGPQT-UHFFFAOYSA-N 463.369 2.485 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCO[C@H]2[C@H]1NC(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2267287290 UVELIRRPHGWICG-DRPJVOAASA-N 464.393 2.458 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2[C@H](NS(=O)(=O)Cc3ccsc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2267469410 VCBLRPGZMYQTLC-ZSHCYNCHSA-N 484.449 2.332 30 10 JEEE Cc1nn(C)c(C(=O)NCCC[C@@H](C)NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267519970 JHVCLUFKZYEFTP-CQSZACIVSA-N 450.389 2.451 30 10 JEEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)[C@H]2C[C@H]21 2267718224 PXLCOWVQLPTTAH-MSOLQXFVSA-N 464.393 2.368 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)sc1CNC(=O)[C@H](CN(C)C)NC(=O)OC(C)(C)C 2268645435 PFZBBZNNODDZRP-HNNXBMFYSA-N 467.441 2.427 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)c2ccc(F)c(B3OC(C)(C)C(C)(C)O3)c2)CCO1 2281789757 FOIXEHCVLKHLHU-MRXNPFEDSA-N 464.343 2.491 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H]2CCN(C(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)C[C@H]2C1 2281925682 ZJMCDWVQSNGQJV-CVEARBPZSA-N 460.384 2.428 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@](CO)(NC(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2281933857 DZTVKEKXCJQGJP-DEOSSOPVSA-N 460.380 2.478 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1CC(CCNC(=O)OC(C)(C)C)C1 2282003539 CQNSQNXVPYCSBZ-UHFFFAOYSA-N 462.400 2.451 30 10 JEEE CN(CCc1nc(NC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)n[nH]1)C(=O)OC(C)(C)C 2282020550 ZPPNSZKLJLYGAP-UHFFFAOYSA-N 478.384 2.222 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CN(Cc3ccccc3)CC(F)(F)C2)n1 2282046676 OINKTWQIQHYMMC-QGZVFWFLSA-N 460.334 2.359 30 10 JEEE CC(C)(C)OC(=O)NC[C@]12CN(C(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)o3)C[C@@H]1CCO2 2282200721 OIZRIQCZQROXHP-WNSKOXEYSA-N 462.352 2.335 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H]2OCCN(C(=O)c3ncsc3B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2282519556 KKXOAOBODJTSDW-HUUCEWRRSA-N 479.408 2.293 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@]12CCC[C@@H]1N(C(=O)OC(C)(C)C)CC2 2282538043 ZVZHNRMPFIZBCQ-HJPURHCSSA-N 460.384 2.381 30 10 JEEE COCC1(NC(=O)c2nccc(C)c2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2282571004 OWPDHPBGKKWKEV-UHFFFAOYSA-N 461.368 2.055 30 10 JEEE Cn1cc(C(=O)NC[C@@H]2CCN(C(=O)OC(C)(C)C)C2(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2282588136 SAGSWBZWYCXSJQ-HNNXBMFYSA-N 462.400 2.485 30 10 JEEE Cc1cccc(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)c1B1OC(C)(C)C(C)(C)O1 2282647554 CVLFIJKXXWEXKM-SJLPKXTDSA-N 460.380 2.252 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)[C@H]2COC[C@@H]12 2282655991 FHQFRCTZIGMFTC-UHOSZYNNSA-N 458.364 2.350 30 10 JEEE Cc1ccc(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 2282670983 NVUFJCNIXGKXEK-RTBURBONSA-N 460.380 2.394 30 10 JEEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1[C@H]2CC[C@@H](N1C(=O)OC(C)(C)C)C21CC1 2282680899 SUXHKMYGTQUWQY-UONOGXRCSA-N 459.356 2.033 30 10 JEEE CC1(C)OB(c2ccsc2S(=O)(=O)NC2(CN)CCN(Cc3ccccc3)CC2)OC1(C)C 2282849706 FVQXYJIBONRBQP-UHFFFAOYSA-N 491.488 2.319 30 10 JEEE CC(C)(C)OC(=O)N[C@]1(C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)C[C@@H](O)C1(C)C 2284058829 BSAFKDLEDABTLI-FATZIPQQSA-N 461.368 2.374 30 10 JEEE CC(C)(C)OC(=O)NCC1(C(=O)N2CCc3cc(B4OC(C)(C)C(C)(C)O4)ccc32)COC1 2284060201 LCNSSBZJXRGQJW-UHFFFAOYSA-N 458.364 2.416 30 10 JEEE CC(C)(C)OC(=O)NC[C@]12C[C@@H]1CN(S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1)C2 2288266528 LJJLCQHOXIUGAL-SZNDQCEHSA-N 499.464 2.119 30 10 JEEE CC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=NOCC(=O)N[C@@H](CO)C(=O)O)CC[C@]4(C)[C@H]3CC[C@@]21C 2297639500 XPPSOAUERBQGOO-AXRFVADWSA-N 490.597 2.204 30 10 JEEE CC1(C)C[C@@H]1[C@@](N)(C#N)Cn1cnc(I)c1I 2302248392 ATUITWBXPBTAEM-WRWORJQWSA-N 456.069 2.359 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CC[S@@](=O)(=NC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C1 2315699192 PULWDHWUTXNCSQ-ICNDJQDOSA-N 471.410 2.348 30 10 JEEE CC1(C)OB(c2sncc2C(=O)N2CC(COCc3ccccc3)(C(=O)O)C2)OC1(C)C 2337404364 BOPAOAVAIIOPKH-UHFFFAOYSA-N 458.345 2.186 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)n1 2359278742 BPYYSJWKTVJYFN-UXLLHSPISA-N 460.384 2.187 30 10 JEEE CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2scc(B3OC(C)(C)C(C)(C)O3)c2C1 2361632425 IAUSMVBHLGIPCY-KRWDZBQOSA-N 479.452 2.387 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2C[C@H]3[C@H]2CCN3C(=O)OC(C)(C)C)n1C 2362485735 FIFLGJPYRHKYQN-XHSDSOJGSA-N 460.384 2.155 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@]23CC[C@@H](C2)N(C(=O)OC(C)(C)C)C3)n1 2363697406 MGLVBTPSUXTQQC-NPMXOYFQSA-N 460.384 2.239 30 10 JEEE CC(C)(C)OC(=O)N1CCN(c2ccc(B3OC(C)(C)C(C)(C)O3)cc2C#N)[C@H](C(=O)O)C1 2364928013 NXLOJBKUHDFKGH-SFHVURJKSA-N 457.336 2.368 30 10 JEEE C[C@H](CN=c1cc(B2OC(C)(C)C(C)(C)O2)c(F)c[nH]1)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 2372001072 ROCXTUJAFOGUNP-IQMFZBJNSA-N 465.375 2.362 30 10 JEEE C=CCOC[C@@H](O)CN1CCO[C@H](CN(CCOC)C(=O)c2cccc(C(F)(F)F)c2)C1 34691465 KTZZLROBJVRCLU-PMACEKPBSA-N 460.493 2.058 30 10 JEEE Cc1c(C(=O)NN2CCN(C)CC2)oc2c1/C(=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CCC2 40814835 POJJSBCHNQPWRQ-XQNSMLJCSA-N 471.474 2.449 30 10 JEEE COc1ccc([C@H]2/C(=C(/O)c3c(C)nn(C)c3C)C(=O)C(=O)N2CCCN(C)C)cc1OC 102752012 JQWMQYXDQDLNJN-AGGMBTAESA-N 456.543 2.428 30 10 JEEE CN(C)c1ccc([C@@H]2/C(=C(/O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN2CCOCC2)cc1 111273593 DVZREYFHHNXHPQ-QQYUXEJHSA-N 493.560 2.278 30 10 JEEE C=CCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2ccc(C(=O)OC)cc2)c1=O 590897445 UKYXIVJJNHWNIY-UHFFFAOYSA-N 460.511 2.277 30 10 JEEE CCCn1c(=C(C#N)C(=O)Nc2cccc(OC)c2)sc(=Cc2cnn3ccccc23)c1=O 729671864 ZSMLMSAGMDKJIG-UHFFFAOYSA-N 459.531 2.118 30 10 JEEE CC(C)Oc1ccc(-n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3cnn4ccccc34)c2=O)cc1 729672369 KMMRKYRZIPSRLZ-UHFFFAOYSA-N 485.569 2.116 30 10 JEEE NS(=O)(=O)c1ccc(NC(=O)CCSc2n[nH]c(NN=Cc3cccs3)n2)cc1 1084304980 OGLUIXUIDPBXTM-UHFFFAOYSA-N 451.559 2.081 30 10 JEEE CC(/C=C\c1ccccc1)=NNc1nc(SCC(=O)N2CCN(CC(=O)NC(C)C)CC2)n[nH]1 1084388574 BUHYEUSZGCMLIM-VVMBHSKRSA-N 484.630 2.067 30 10 JEEE C=CCn1c(SCC(=O)NCc2nc(CO)n[nH]2)nnc1-c1ccc(Cl)cc1Cl 1148333658 HMLLTQSGCNIKCN-UHFFFAOYSA-N 454.343 2.457 30 10 JEEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)Sc1nnc(C[C@H]2CCS(=O)(=O)C2)o1 1248553196 HWGULPXNJJRDMK-LSDHHAIUSA-N 464.569 2.483 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1sc(C)nc1C)[C@H]1CCS(=O)(=O)C1 1286388942 DAAYVCQUIGLDJU-KRWDZBQOSA-N 456.597 2.397 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1Cc1cccn(CC)c1=O)[C@@H]1CCS(=O)(=O)C1 1286392489 HKDXOZJXCZICKC-JOCHJYFZSA-N 479.606 2.034 30 10 JEEE C#CCN(c1nnc(CSc2ccc(C)cc2)n1C[C@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1286398653 ZOZWVGJKFXRHKO-RBUKOAKNSA-N 461.657 2.456 30 10 JEEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@H]1CCC[C@@H](O)C1 1286415422 KFGZLYISYYJNKP-ILBGXUMGSA-N 460.626 2.267 30 10 JEEE C#CCSCCn1c(-c2cccc(Br)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1286496285 CFFNWJQNQSNAGG-UHFFFAOYSA-N 484.445 2.156 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CC(=O)NC(C)(C)C 1286546692 LDIPBWBQBRGXBZ-APWZRJJASA-N 455.563 2.258 30 10 JEEE C=C(C)COCCn1c(N2CCO[C@@](C)(c3cnn(C)c3)C2)nnc1[C@]1(OCC)CCOC1 1286614543 VDDNFYRDUIRQNC-PKTZIBPZSA-N 460.579 2.008 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1286778525 BSYNAMNZSPJFPP-UZLBHIALSA-N 469.521 2.171 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 1286784566 MACHNNYACREHHD-KRWDZBQOSA-N 455.494 2.471 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1286792359 VPLPCFXKJMIXJR-MRXNPFEDSA-N 455.494 2.374 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCN2c3ccccc3C[C@H]2C)C1 1286801433 YXLHOGOFCYAMNB-QWFCFKBJSA-N 474.631 2.121 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@@H](CC)C1 1286821076 ZUEYBFPOYDKDCJ-GOSISDBHSA-N 459.620 2.289 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(Cl)cc1 1288524798 HNQLGHBSCGPCKI-YOEHRIQHSA-N 452.968 2.051 30 10 JEEE CCN(CC)C(=O)CCCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1295318287 GZXWZOHYMNUWBG-NRFANRHFSA-N 497.648 2.409 30 10 JEEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCCN(Cc3ccc(OC)cc3)C(=O)C2)c1 1296044761 FEZRVULEFSEQAZ-UHFFFAOYSA-N 457.552 2.034 30 10 JEEE CCN1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)CC1=O 1297321321 FIWSRKBLKSKQLJ-NNWRFLSQSA-N 458.006 2.382 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OCCCC)c(OC)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1300290631 OCTQRYKZAVJAJZ-GAJHUEQPSA-N 476.599 2.140 30 10 JEEE C#CCCCn1c([C@H]2CCCCO2)nnc1N1CCN(C[C@H](O)COc2ccccc2)CC1 1300409756 UKEYAUZYZCBJAJ-JTHBVZDNSA-N 453.587 2.495 30 10 JEEE C#CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1CCS(=O)(=O)N1CCSCC1 1300443372 FKAIHDQVWQQUDM-UHFFFAOYSA-N 498.472 2.464 30 10 JEEE C#CCN(c1nnc(COc2ccccc2OC)n1CC1(C)CCOCC1)[C@H]1CCS(=O)(=O)C1 1300504840 UKMVYMXESMHAAV-IBGZPJMESA-N 488.610 2.309 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(O)CCN(C(C)C)CC1 1300605900 BSBVCWZLZHSWDD-UHFFFAOYSA-N 459.616 2.043 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1CCS(=O)(=O)C(C)(C)C 1300671032 AFFMATYZDZPVML-IBGZPJMESA-N 462.572 2.090 30 10 JEEE C#CCSCCn1c(N2CCO[C@@H](c3cnn(CC)c3)C2)nnc1[C@@]1(OCC)CCOC1 1300778347 SZRKSVKBUOVYIM-DENIHFKCSA-N 460.604 2.091 30 10 JEEE C=C(C)COCCn1c(-c2cccnc2)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1300983087 DXDLHZGBJUDARD-UHFFFAOYSA-N 463.542 2.475 30 10 JEEE C=C(C)COCCn1c(-c2ccccc2OC)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1300983188 VMYKTJTUBLQDGR-KRWDZBQOSA-N 466.546 2.078 30 10 JEEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1301135450 KTYVBFCEKDSIDU-RBBKRZOGSA-N 485.677 2.495 30 10 JEEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(F)ccc1N1CCOCC1)C1CC1 1301314245 QWJGSBZYTLHMJL-INIZCTEOSA-N 478.594 2.067 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2c(n1)CCCC2 1301406465 XAKRXGKBIWMRCU-OAQYLSRUSA-N 472.615 2.112 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1301489884 FXMMVHPKUVBJKI-SFHVURJKSA-N 485.976 2.320 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1301491218 GAPKUVKEXSVQPQ-OYRHEFFESA-N 493.656 2.182 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1301492426 IJPNCAXIEUKTQH-MLGOLLRUSA-N 453.421 2.132 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCC(C)(c2nc(C)no2)CC1 1301513981 DFMXPLZCHNQTIM-UHFFFAOYSA-N 481.557 2.417 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)Cc1cscn1 1301576339 CRFXZLHMVKIICZ-UHFFFAOYSA-N 461.569 2.410 30 10 JEEE N#Cc1ccc(OCc2nnc(N3CCC[C@@H](C(N)=O)C3)n2C[C@H]2CCN(CC(F)(F)F)C2)cc1 1302993870 HFIWTVIFKRFAPS-ZWKOTPCHSA-N 491.518 2.315 30 10 JEEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCN(C2CC2)C1 1303781865 BMARXBKEDFTFNY-PKOBYXMFSA-N 472.615 2.082 30 10 JEEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(C(C)(C)C)nn2-c2cccc(C)c2)CC1 1310105150 FCESAQVFTZSICH-UHFFFAOYSA-N 458.588 2.095 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@]1(O)CCS(=O)(=O)C1 1358875444 PXLUBNKZJVAGLM-OYHNWAKOSA-N 471.608 2.385 30 10 JEEE C#CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1358913546 QQHXBFJEPMKJHM-RBUKOAKNSA-N 495.646 2.403 30 10 JEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1OCC(C)C)[C@H]1CCS(=O)(=O)C1 1358955812 UMUXSZHFBPHYNW-NRFANRHFSA-N 499.637 2.224 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC2(C(=O)NCC)CCC2)CC1 1359028555 WGXRFWJBMHAWEP-UHFFFAOYSA-N 477.613 2.209 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H](OC)C2CC2)CC1 1359042389 DQHASTAXGRHNRC-JOCHJYFZSA-N 467.570 2.353 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1359100802 GOERKWPTRGYPRI-NZQKXSOJSA-N 488.658 2.495 30 10 JEEE C=C(C)COCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1359129980 UJLCFNPXELXUDS-OAQYLSRUSA-N 455.559 2.374 30 10 JEEE C=CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(CCOCC)[C@H](CC)C1 1359286463 SKGQEHJVRMAQIJ-GOSISDBHSA-N 451.575 2.315 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H]2CCCCO2)nnc1N1CCN(CCOC)C(=O)C1 1359310059 LLWSWLJAJGSPGT-OAQYLSRUSA-N 455.559 2.428 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N(C)C[C@H]1COc2ccccc2O1 1359333617 DIKOBMSRFQISPR-IBGZPJMESA-N 469.567 2.141 30 10 JEEE C#CCOc1ccc(CNC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)cc1 1470254096 VZSOLBXYUCTQQD-UHFFFAOYSA-N 453.564 2.403 30 10 JEEE CCN1CCN(C[C@@H](C)Cn2c(CN3CCCC3=O)nnc2N(C)Cc2cccc(C#N)c2)CC1 1502345817 GBLVNLKDFLKBFM-OAQYLSRUSA-N 478.645 2.182 30 10 JEEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1507559684 UMRAYNSCSRUAPQ-FQEVSTJZSA-N 452.607 2.005 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCc1csc(CC)n1)[C@@H]1CCS(=O)(=O)C1 1507632527 MWMPHLGYVYBAFB-FUHWJXTLSA-N 463.629 2.060 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCOc1c(C)cccc1C)[C@H]1CCS(=O)(=O)C1 1507633573 TUXFRTXFVDCHPB-UXHICEINSA-N 458.584 2.105 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CCC1CCN(CC)CC1)[C@@H]1CCS(=O)(=O)C1 1507635503 SRQJGYOZCOADIJ-JOCHJYFZSA-N 470.643 2.013 30 10 JEEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCn1cc([C@H]2CCOC2)cn1 1507691488 IJLPRSVZPBRSTR-PZJWPPBQSA-N 499.616 2.447 30 10 JEEE C=CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCN1CCN(C)C(C)(C)C1 1507981335 HVAYDPHIMIFBNU-UHFFFAOYSA-N 464.618 2.323 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCS(=O)(=O)CC1)C(C)C 1508015006 ZQNXFHZFYNHJKB-PMACEKPBSA-N 451.637 2.453 30 10 JEEE C=CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@H]1CCS(=O)(=O)C1 1508038595 URSVKEMZIIDCNW-KRWDZBQOSA-N 456.572 2.409 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](c2ccc(Br)cc2)C1 1508080857 RWENSOHVLZQKSR-SFHVURJKSA-N 486.374 2.321 30 10 JEEE COCCN(CCC#N)c1nnc(-c2cccc(Br)c2)n1CCC(=O)N1CCOCC1 1519161206 HUYZOSAAKZVAKT-UHFFFAOYSA-N 491.390 2.323 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc(Cl)nc3)n2C[C@]2(O)CCOC2)c1 1539040463 UBJGBAFEBQMAOD-HSZRJFAPSA-N 466.929 2.201 30 10 JEEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@H](N2CCCC2=O)C1 1539089794 RPYRWNDLISZLSL-IBGZPJMESA-N 454.962 2.476 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1539202008 DQUIYKRCOXACCX-ZWKOTPCHSA-N 470.599 2.378 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1Cc1ccc(C#N)o1)[C@H]1CCS(=O)(=O)C1 1539213326 XWLNFVMONPAKND-KRWDZBQOSA-N 451.508 2.093 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@]2(O)CCC[C@@H]2C)CC1 1539428510 SHZKUHXFCWYKGA-UUOWRZLLSA-N 471.005 2.168 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@](O)(c2ccc(F)cc2)C1 1539614832 DEDBSVPAZVVAIM-XLJIZYSNSA-N 493.605 2.107 30 10 JEEE C=C(C)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1539684956 OQYNXYZDKBKRMC-QFIPXVFZSA-N 452.603 2.377 30 10 JEEE C=CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1540857192 FPTQUBQFLGKEHD-UHFFFAOYSA-N 464.574 2.160 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1540866421 MTBIJVGFTOIQPW-KRWDZBQOSA-N 451.980 2.304 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1540893549 FOSITHGAYWDZPJ-ICSRJNTNSA-N 463.579 2.071 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(c2nc(C)cc(OCC)n2)CC1 1540904396 MZYUJPUQCJBKTN-UHFFFAOYSA-N 491.662 2.291 30 10 JEEE CCN(CCS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1Cc1ccc(C)nc1 1547602667 BOZSXEFAZVJCAT-UHFFFAOYSA-N 454.556 2.351 30 10 JEEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 1554504360 BVSIHQQDVVLFMA-HXUWFJFHSA-N 468.587 2.021 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(C(C)(C)C)n1CCN1CCCS1(=O)=O 1555544336 BIROYAFZNJBYNY-UHFFFAOYSA-N 460.604 2.136 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCOC[C@@H]1OC 1588400041 UKOIOTNIZHCDIS-FHWLQOOXSA-N 463.579 2.098 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2F)n1C[C@H]1CCN(S(C)(=O)=O)C1 1588604961 ULHXZBMTPCLRRN-HNNXBMFYSA-N 469.970 2.105 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCCc2ccnc(C(C)(C)C)n2)CC1 1588752835 WXSZQUNFRQJYIR-SANMLTNESA-N 481.645 2.406 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCCN2C2CCCCC2)CC1 1588884676 JRDPWGQCLGGSLM-QFIPXVFZSA-N 483.661 2.179 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2CC[C@H]2CCO[C@H](C)C2)CC1 1588885283 URRLTEOWQAEJIM-MOPGFXCFSA-N 472.634 2.368 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(F)cc2F)CC1 1594097405 SMICXUJAQUXREF-GOSISDBHSA-N 453.515 2.094 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1595476779 NLAGPCFSOCKPPF-AEFFLSMTSA-N 453.522 2.036 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCN2C(=O)OC[C@@H]2C1 1595576871 AASVBKGTCUGEDO-SFHVURJKSA-N 468.558 2.232 30 10 JEEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](c2ccco2)C1 1595824168 XVJZAVCKHLRDAY-KRWDZBQOSA-N 491.595 2.041 30 10 JEEE Cc1c(Cn2c(CCN3CCN(c4ccccc4)CC3)nnc2N(C)[C@H](C)CC#N)cnn1C 1611888303 FVIHKXPOHVMNKQ-HXUWFJFHSA-N 461.618 2.471 30 10 JEEE CC(C)[C@@H](N/C=C1/C(=O)Oc2ccccc2C1=O)C(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 1615248992 IQHJGGLBCFGABZ-YVAOVXJTSA-N 461.518 2.094 30 10 JEEE CCNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1615907328 FYIUXNZGXHMQHL-JOCHJYFZSA-N 478.645 2.195 30 10 JEEE COC1CCN(C2(Cn3c([C@@H](C)NS(C)(=O)=O)nnc3N3CCC(C#N)CC3)CCCC2)CC1 1619507347 FGDAJMSCVCLIIU-GOSISDBHSA-N 493.678 2.052 30 10 JEEE C=C(Cl)CSc1nc(C)c(CC(=O)NC2CCN(CCS(C)(=O)=O)CC2)s1 1628367583 BIIXSCJYCAJFCW-UHFFFAOYSA-N 452.067 2.464 30 10 JEEE C=CCn1cc2ccc(NC(=O)N3CCN(c4ccc(S(=O)(=O)NC)cc4)CC3)cc2n1 1673220289 DUMPGNJUFYNRKM-UHFFFAOYSA-N 454.556 2.485 30 10 JEEE C#CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@@H](CNC(C)=O)C1 1689915065 ORQFZUPPPOEMPX-IBGZPJMESA-N 471.631 2.313 30 10 JEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1689936710 AKPNGLZLWUXVPY-KRWDZBQOSA-N 480.598 2.081 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1Cc1cccc(CN(C)C)c1)[C@@H]1CCS(=O)(=O)C1 1689994501 ZKWZJNGLNGNJMU-JOCHJYFZSA-N 498.678 2.370 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1Cc1ccc(C(N)=O)cc1 1690003724 VTQDTUZPSLHUDD-UHFFFAOYSA-N 451.328 2.266 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2COc3ccccc3O2)n1CCCCN1CCC[C@H]1CO 1690048009 AAISVLQLOPPWBO-XUZZJYLKSA-N 463.582 2.490 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@]2(O)CCSC2)CC1 1690117719 SLPHGEYDYQVMDK-HXUWFJFHSA-N 480.407 2.470 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1690235848 FMRNFPVRLFADNT-ZWKOTPCHSA-N 462.595 2.455 30 10 JEEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 1690301057 NXINIMQJKOJVLR-KSSFIOAISA-N 483.557 2.011 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(CC(=O)Nc2c(C)cccc2C)CC1 1690670884 LKKBVEQWJIRQTN-NRFANRHFSA-N 495.628 2.199 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H](N2CCOCC2)C(F)(F)F)C1 1690714764 UHIRZFKUAMUCID-VJANTYMQSA-N 489.539 2.047 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@H](C)O[C@H](C)C1 1690719074 HHAUORRBQMYWLT-IYBDPMFKSA-N 450.561 2.177 30 10 JEEE C=CCS(=O)(=O)CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCN(C(=O)NC)CC1 1690728998 CRJFISUQXSOLQH-UHFFFAOYSA-N 499.062 2.286 30 10 JEEE C=CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H](N2CCCC2=O)C1 1690736756 NVRHAJGHUCSWLN-SFHVURJKSA-N 475.640 2.469 30 10 JEEE CCc1nc(C)c(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)o1 1694584098 CCZQEKOKRJFXLB-HNNXBMFYSA-N 469.571 2.194 30 10 JEEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(C(=O)c2ccccn2)CC1 1705681314 ROLYNOPDBWZRSV-MRXNPFEDSA-N 479.379 2.268 30 10 JEEE C=CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1705890359 LOLGXKUROAAERW-IRXDYDNUSA-N 485.593 2.111 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 1705904921 CODOHZNXAUEOHS-UHFFFAOYSA-N 469.590 2.307 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CCN(C(=O)NCC)CC1 1705908343 ODRMXQUZCWIILK-UHFFFAOYSA-N 457.604 2.033 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 1705931680 XOZQXMDAIWIABF-UXHICEINSA-N 494.639 2.097 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCN(c2cccc(C)c2)CC1 1705937459 UNLFJQVGLJDFNY-UHFFFAOYSA-N 466.611 2.500 30 10 JEEE C[C@@H]1CN(C(C)(C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCS(=O)CC2)C[C@@H](C)O1 1708146511 FDJJRQMMZJQWIV-RTBURBONSA-N 486.642 2.185 30 10 JEEE CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccccc2C#N)CC1)N1CCCC1 1708767909 BISWASLJXGXNPE-OAQYLSRUSA-N 464.618 2.489 30 10 JEEE C#CCCCn1c([C@H]2CCCOC2)nnc1N1CCN(Cc2nc([C@@H](C)OCC)no2)CC1 1722334243 VDPJANODTCYNFC-MOPGFXCFSA-N 457.579 2.388 30 10 JEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1722382293 HBCKWBIDCHOWBW-FGZHOGPDSA-N 476.629 2.024 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC2(O)CC(OCC)C2)CC1 1722432243 XMSAWHBIBVRIBR-BHWOZTKKSA-N 457.550 2.242 30 10 JEEE C=CC1CCN(c2nnc(COc3ccccc3OC)n2CCN2CCN(C(C)=O)CC2)CC1 1722583383 ULHODJNBZQGBEZ-UHFFFAOYSA-N 468.602 2.432 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@H](CN2CCOCC2)C1 1722695600 JLFQYPZCKUECDH-QGZVFWFLSA-N 474.993 2.068 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(F)(F)CC1 1722707593 TYGJNAGQNGWJFI-IBGZPJMESA-N 497.568 2.460 30 10 JEEE C#CCN(c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@@](C)(O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1740621794 ZDFYUKQLESFMNF-NTKDMRAZSA-N 490.626 2.386 30 10 JEEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1nc2cc(OC)ccc2n1C 1740631913 MUOJGALGQBMTNR-VWLOTQADSA-N 462.554 2.335 30 10 JEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1sc(C)nc1C 1740637183 SRNQCANAVLWGCY-UHFFFAOYSA-N 453.597 2.433 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CC[C@]2(CCOC2)O1 1740680794 NVHAPKYVYXZMMG-LAUBAEHRSA-N 478.391 2.470 30 10 JEEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(NC(=O)C(C)C)CC1 1740714205 XHGKWQGSMTUZQL-UHFFFAOYSA-N 479.614 2.028 30 10 JEEE C=C(C)COCCn1c(-c2cc(Br)cn2C)nnc1N1CCN(C(=O)NCC)CC1 1740788088 PGUKLZZWXWLVQW-UHFFFAOYSA-N 480.411 2.490 30 10 JEEE C=CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C(=O)NCC)CC1 1740860595 IYXZBYVUTWRXJT-UHFFFAOYSA-N 450.551 2.129 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1740988293 ZMQQCHVXUCQJCS-UHFFFAOYSA-N 473.530 2.440 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1740989125 AQMWXEFJLUMWSD-KRWDZBQOSA-N 462.601 2.227 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCC(Cl)=C(Cl)C2)nnc1[C@@]1(OCC)CCOC1 1740994201 OHWZJGYJWCHRQO-GOSISDBHSA-N 465.403 2.430 30 10 JEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1741003572 XPIXYGHFRZMMKD-HZPDHXFCSA-N 469.658 2.442 30 10 JEEE CC[C@@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCNC(=O)c1ccco1 1743753128 IBISNCVHZKWIQH-IAGOWNOFSA-N 463.546 2.191 30 10 JEEE CCN1CCN(C[C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@](C)(C(=O)NC)C2)CC1 1746459539 DGHSDDQMRODDSM-FNZWTVRRSA-N 478.645 2.053 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCCc1cnn(C)n1 1748665430 QNRZMXMMRMWQCM-QGZVFWFLSA-N 459.558 2.455 30 10 JEEE C#CCN(C)c1nnc(COc2ccc(Br)cc2)n1CCS(=O)(=O)NC(C)C 1748800277 VKTIJFYHSFNRQN-UHFFFAOYSA-N 470.393 2.017 30 10 JEEE C#CCN(c1nnc(C2(c3ccccc3)CCC2)n1C[C@](C)(O)CCOC)[C@@H]1CCS(=O)(=O)C1 1748804164 DXQQISFABSOIKU-ZJSXRUAMSA-N 486.638 2.162 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1CC1=CCCOC1)[C@@H]1CCS(=O)(=O)C1 1748805390 RAGMGOFKSGXQLL-QGZVFWFLSA-N 494.415 2.020 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1CCc1sc(C)nc1C)[C@@H]1CCS(=O)(=O)C1 1748812347 SZBUMMJYPDQERY-QGZVFWFLSA-N 458.613 2.226 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1CCSCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1748812733 ZMRYVESWWXMSFT-AWEZNQCLSA-N 459.519 2.262 30 10 JEEE C#CCN(c1nnc(CSc2ccccc2OC)n1C[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1748825133 VUQFYVUSVCSUHM-ROUUACIJSA-N 476.624 2.242 30 10 JEEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC1(N(C)C)CCC1 1748851564 HLDXDHUMYWKEMA-UHFFFAOYSA-N 459.642 2.200 30 10 JEEE C#CCN(CC)c1nnc(-c2ccc(Br)s2)n1CCN1CCN(C(C)=O)CC1 1748914285 HZXXGZIQEMBCNG-UHFFFAOYSA-N 465.421 2.393 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1cccs1)N(C)C 1749159819 ZLULFFQAHRSCOW-MSOLQXFVSA-N 482.676 2.378 30 10 JEEE C=CCCOCCn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1749461747 IWFHMAPKLJPXRN-BHIFYINESA-N 474.650 2.349 30 10 JEEE C=CCn1c(N2CCN(CC(=O)N[C@@H]3CCC[C@H](C)C3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1749646170 NROAWTMDAVLEKO-BPYKYCOYSA-N 474.650 2.322 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCN(C)c2ccccc2C1 1749736763 OKFKXMIQIMTSRR-UHFFFAOYSA-N 452.584 2.321 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCCN(CCC)C(=O)C1 1749740975 LXKGTVYFZSJVDE-UYAOXDASSA-N 481.663 2.246 30 10 JEEE CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)CN2CCCCC2)CCO1 1750013385 FWFBYSQSUXRTRF-WMZHIEFXSA-N 465.602 2.280 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@]1(C)CCO[C@@H]1C1CC1 1751217255 BQHAGNIGXAZYEB-IAECCPNBSA-N 450.609 2.224 30 10 JEEE C#CCCCCn1c(N2CC[C@H](S(=O)(=O)NCC)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1760142431 BYRNWMOFSGGRGD-OTWHNJEPSA-N 494.662 2.370 30 10 JEEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1C[C@@]1(OC)CCOC1)[C@@H]1CCS(=O)(=O)C1 1760181213 RBGDQXHKCJYLEP-LGVFNWMJSA-N 472.611 2.252 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCc1ccc(F)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1760188207 NJSPGOKMDIEGEX-ZWKOTPCHSA-N 464.538 2.320 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@](C)(O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1760189976 MSUWQFPBHXMKDB-OFNKIYASSA-N 470.620 2.465 30 10 JEEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1760445374 HWOKPCIHIUQFJH-UHFFFAOYSA-N 462.595 2.412 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1760516422 NAFCXCGAXXCUHR-GHTZIAJQSA-N 472.565 2.160 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1760518336 QUSBHCVDDCIEAO-HNNXBMFYSA-N 469.970 2.443 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@H](n2cncn2)C1 1760524287 UJMHNSIGXFHCNB-RTBURBONSA-N 499.620 2.128 30 10 JEEE CC(C)NC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 1761258001 DMUHKVFPTXNQBH-SFHVURJKSA-N 464.530 2.426 30 10 JEEE CCOC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCS(=O)(=O)CC2)C1 1767989686 AIISLQFKGFUCOM-LJQANCHMSA-N 473.599 2.009 30 10 JEEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N2CCCCCC2)CC1 1769895881 BGJFBULMLCQLCY-UHFFFAOYSA-N 465.602 2.378 30 10 JEEE COc1cc([C@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2CCN2CCOCC2)ccc1O 1862737928 OESNTCBFJWWOKM-NRFANRHFSA-N 483.477 2.220 30 10 JEEE COc1cc(OC)cc(-n2nnc(C#N)c2NC(=O)c2ccc3c(c2)C(=O)N(C(C)C)C3=O)c1 1870143034 SHRJYMWRQHUJIB-UHFFFAOYSA-N 460.450 2.413 30 10 JEEE CC(C)N1C(=O)CS[C@H](C(=O)N2CCN(c3cc(N(C)C)ncn3)CC2)[C@@H]1c1ccc(C#N)cc1 1889638010 GNVOZVWBQHNDFG-ZEQRLZLVSA-N 493.637 2.157 30 10 JEEE Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CC[C@H](Oc4cc(C#N)ccn4)C3)C2)cc1 1890143611 CLSRZNJDAOVNDA-PMACEKPBSA-N 454.552 2.342 30 10 JEEE CC(C)N1C(=O)CS[C@H](C(=O)N2CCC[C@H](NS(=O)(=O)C3CC3)C2)[C@@H]1c1ccc(C#N)cc1 1891448333 QLDQCDMGTFLRLF-NYVOZVTQSA-N 490.651 2.025 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)C1(O)CCC1 2188010454 PQSSBQNMBDLDDW-SFHVURJKSA-N 460.380 2.410 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](NS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2247881342 WILPCBIAAKOPDA-ZDUSSCGKSA-N 458.411 2.335 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCOC[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2255620779 FDLGPLUHYGUHQX-CABCVRRESA-N 452.382 2.459 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2255754152 ZUJFXNGKEYSJQR-IYBDPMFKSA-N 452.382 2.320 30 10 JEEE CON(C(=O)c1nscc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2255806850 LCBLNEHANOVGMQ-ZDUSSCGKSA-N 453.370 2.455 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C[C@H]1CO 2267137724 PATOZUPNWGFTMK-HOCLYGCPSA-N 466.409 2.395 30 10 JEEE CN(C(=O)OC(C)(C)C)[C@H]1CCN(S(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2267473874 LQTMBRQORNPUMR-AWEZNQCLSA-N 487.453 2.213 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](OCCNC(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)C1 2267559083 KYDGAQCZNITAEO-OAHLLOKOSA-N 450.341 2.335 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2CC[C@H](N3CCN(C(=O)OC(C)(C)C)CC3)C2)C1 2281224013 UFMCJJQCARRKPR-CSKUQDPHSA-N 476.618 2.447 30 10 JEEE Cc1c(C(=O)N2C[C@H]3CC[C@]3(NC(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281806494 KFYNQTAODBOYQG-CMJOXMDJSA-N 460.384 2.157 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@]1(CO)CCCN(C(=O)OC(C)(C)C)C1 2281959555 NYVFAKPHGOCXRS-JOCHJYFZSA-N 481.424 2.243 30 10 JEEE Cn1cc(C(=O)NC[C@@H]2C[C@H]3[C@H]2CCN3C(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2282041596 YXDAGUDYQNQWGW-ZOBUZTSGSA-N 460.384 2.095 30 10 JEEE Cn1ncc(C(=O)NC[C@@H]2C[C@@H]3[C@H]2CCN3C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2282540442 KCQNLIDYKNUNPQ-YQQAZPJKSA-N 460.384 2.095 30 10 JEEE CCc1nn(C)c(C(=O)N2C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C2)c1B1OC(C)(C)C(C)(C)O1 2282561728 UJKFBYKJWBPSSF-GDBMZVCRSA-N 462.400 2.267 30 10 JEEE Cc1nn(C)c(C(=O)N2C[C@H]3C[C@H]2CN(Cc2ccccc2)C3)c1B1OC(C)(C)C(C)(C)O1 2282574221 LTRCUSCGMUVXGD-PMACEKPBSA-N 450.392 2.374 30 10 JEEE CC(C)(C)OC(=O)N1CC2(CCN(C(=O)c3ncc(B4OC(C)(C)C(C)(C)O4)cn3)CC2)C1 2282624550 MTHJPGHAKFAEBR-UHFFFAOYSA-N 458.368 2.249 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](NS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282831087 FBHXPKJDBJNFPF-SJORKVTESA-N 481.424 2.495 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N[C@@H]2C[C@@H](OCc3ccccc3)C2(C)C)n1 2282844608 GNURHEJBUHGMEJ-RTBURBONSA-N 475.420 2.382 30 10 JEEE CON(CCNS(=O)(=O)c1c(F)cc(F)cc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2282866468 JZFGNFZASDQFJR-UHFFFAOYSA-N 492.350 2.341 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)NCCc1c(F)cccc1B1OC(C)(C)C(C)(C)O1 2289652911 AICNQIRBVIJPRQ-KSSFIOAISA-N 466.359 2.058 30 10 JEEE CCCc1nnc(SCCCO)n1N=Cc1ccc(OCCN2CCOCC2)c(OC)c1 2331660188 QKVBZIGHEWTAIG-UHFFFAOYSA-N 463.604 2.307 30 10 JEEE CC#CCN(CC(=O)N1C[C@H]2CC[C@@](C(=O)O)(C1)N2C(=O)OC(C)(C)C)C(=O)OC(C)(C)C 2337865086 KAYOVEWPKGVJJX-MWTRTKDXSA-N 465.547 2.312 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2C[C@H](NC(=O)OC(C)(C)C)C[C@@H]1C2 2359276409 PNXQHUZTJYEMHU-JYJNAYRXSA-N 460.384 2.237 30 10 JEEE COc1nc(N2CCO[C@H](CN(C)C(=O)OC(C)(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2365343768 FCZODBFYNXWPEQ-MRXNPFEDSA-N 463.384 2.462 30 10 JEEE COc1nc(N2C[C@H](NC(=O)OC(C)(C)C)[C@H]3COC[C@H]32)ccc1B1OC(C)(C)C(C)(C)O1 2365348476 QXKCHUVJHJZWLM-HYVNUMGLSA-N 461.368 2.118 30 10 JEEE CC(C)(O)[C@@H]1CC(=O)[C@]2(C)[C@H](CC[C@@]3(C)[C@H](c4ccoc4)OC(=O)[C@H]4O[C@]432)[C@]12COC(=O)C[C@@H]2O 4097784 GNNAZOFNKOMONV-MSGMIQHVSA-N 488.533 2.092 30 10 JEEE in-vitro C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)OCC(=O)N1CCC(c2ccccc2)=N1 18761054 ONCMJDQMEOJLAG-SANMLTNESA-N 472.501 2.331 30 10 JEEE Cc1c(/C=C2/SC(=S)N(Cc3ccco3)C2=O)c(N2CCOCC2)n(C)c(=O)c1C#N 33910663 LBXZNRYFMRFXBA-LICLKQGHSA-N 456.549 2.396 30 10 JEEE Cc1ccc(S(=O)(=O)/N=C(\O)N(Cc2ccc(N(C)C)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 39915171 ALVCZPBPAICORI-LJQANCHMSA-N 465.597 2.353 30 10 JEEE COc1ccc(OC)c(/C=C/C(=O)[C@@H]2CNCC[C@@H]2NC(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)c1 585831056 NDWWUMPMETUQLY-NUEKDTBUSA-N 491.544 2.065 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)O[C@H](C)C(=O)Nc3ccccc3S(C)(=O)=O)cc2C1=O 853262069 FAXCLOVEUROJMS-CYBMUJFWSA-N 456.476 2.056 30 10 JEEE COc1cc(NC(=O)CSc2n[nH]c(NN=Cc3cn(C)nc3C)n2)cc(OC)c1OC 1084258075 POXKVNPXKPCQAZ-UHFFFAOYSA-N 460.520 2.049 30 10 JEEE C=CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(S(=O)(=O)NC(C)(C)C)cc2)c1 1142077603 DQUGOEIYHAESHJ-UHFFFAOYSA-N 451.570 2.480 30 10 JEEE C[C@H]1C[C@H](NC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c2ccsc2S1(=O)=O 1225936353 DDMMNAGCMLAAOR-NZBPQXDJSA-N 454.574 2.413 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC(=O)N1CCN(c2ccccc2)CC1 1286276508 RPLBMUDDGAUMQS-HFZDXXHNSA-N 480.613 2.125 30 10 JEEE C#CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1286344809 JWXBJWURUXXYLW-XMMPIXPASA-N 466.542 2.190 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H](c1ccc(CC)cc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1286389845 ROTOONOISDQJDS-GGAORHGYSA-N 493.637 2.227 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H](C)c1nc(C)cs1)[C@@H]1CCS(=O)(=O)C1 1286394863 XIBFROWRUOIVNT-VQIMIIECSA-N 470.624 2.459 30 10 JEEE C#CCN1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CC(F)(F)Br)CC1 1286478796 GFAJEIHYBZNLIJ-UHFFFAOYSA-N 478.301 2.337 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2CC[C@@H](C(F)F)N2CCOCC2)CC1 1286484560 QUNWLDPTGJRTPV-NRFANRHFSA-N 492.546 2.107 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2Cc2cnnn2C)CC1 1286486775 BAGOLAQFULJWFC-IBGZPJMESA-N 476.585 2.178 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCC[C@H]2C)CC1 1286492073 FZMGPVNKYDWUMG-HXUWFJFHSA-N 475.597 2.179 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)NCC)CC1 1286552876 SJCQLCZZLKIEDB-GMAHTHKFSA-N 463.586 2.056 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCC)CC1CC1 1286555942 MQGFPULMRRLSBA-UFYCRDLUSA-N 467.636 2.219 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCOC3)n2CCOc2ccc(S(C)(=O)=O)cc2)C1 1286810728 VDQGJXLLFDIOMI-HKUYNNGSSA-N 462.572 2.046 30 10 JEEE CC[C@@H](C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCc1ccc(S(N)(=O)=O)cc1 1291605280 IENSQAOYNOXJEM-GOSISDBHSA-N 494.625 2.275 30 10 JEEE CCCC(=O)N[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCOC[C@H]2C)C1 1293758664 ARIWRDITBDVODD-IRLDBZIGSA-N 495.628 2.335 30 10 JEEE CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C(C)C)N2CCCC2)CC1 1296288717 HVPCCHIPUHLGTI-HSZRJFAPSA-N 478.645 2.195 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1300268558 RZZPSUBYCVGBSQ-CVEARBPZSA-N 465.480 2.037 30 10 JEEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1C[C@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1300431657 JQCYRVYJQPWZIT-RGKFVRLKSA-N 475.590 2.024 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@](C)(O)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 1300496543 SBVORPAEMBJBSM-QMHWCDLVSA-N 464.632 2.130 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@@](C)(O)CCC)[C@H]1CCS(=O)(=O)C1 1300499855 YLUYYUOGKJBZAP-CVDCTZTESA-N 460.600 2.055 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2CCNC(=O)c2cccs2)CC1 1300703321 GIYKXORQHMBVCJ-UHFFFAOYSA-N 452.559 2.255 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(N(CC)CC)cc2)CC1 1300723698 ZSTBRFBDZMMUIL-QFIPXVFZSA-N 477.613 2.090 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CC(C)(C)N2CCCCC2)CC1 1300726533 PHBZERAWCKEYQR-OAQYLSRUSA-N 456.635 2.402 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2CCCNC(=O)C2CCC2)CC1 1300727021 ULGQVVLVPXNAAD-UHFFFAOYSA-N 498.578 2.419 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 1300763149 NNVMNRDBJLRJQZ-INIZCTEOSA-N 461.569 2.018 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(=O)NCCC 1300788712 JVLXLKXPWCVMMX-JOCHJYFZSA-N 457.604 2.065 30 10 JEEE C=C1CCN(c2nnc(-c3nn(CCC)c(=O)c4ccccc34)n2CCCNS(C)(=O)=O)CC1 1301079981 LOYSDKDCCLSWSF-UHFFFAOYSA-N 485.614 2.161 30 10 JEEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCN1CCN(CC)CC1 1301271645 YXEPROCJFDHOEM-UHFFFAOYSA-N 474.679 2.196 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)OCC(C)C)CC1 1301506900 SGCYQSUKGFVYHE-UHFFFAOYSA-N 454.575 2.394 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 1301507953 BOOKTFDPBMBZQV-KRWDZBQOSA-N 469.567 2.303 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1301520088 BSZIBJHVVJROEI-JTUYAUNFSA-N 474.606 2.250 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](COc2ccccc2)C1 1301589755 WLPJGMJIDMHVDG-CTNGQTDRSA-N 476.599 2.057 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N(C)C[C@H]1COc2ccccc2O1 1301592909 GMJYHMNWUIERMO-IBGZPJMESA-N 486.598 2.017 30 10 JEEE Cc1cccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H](C(C)C)N2CCOCC2)c1 1304512238 GKGQTGZRHIZPJA-VXKWHMMOSA-N 454.575 2.251 30 10 JEEE Cc1cscc1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@H](C#N)C1 1304635398 CITHOSKLNFRMLB-GOSISDBHSA-N 472.596 2.342 30 10 JEEE C[C@@H]1N(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CCOC1(C)C 1305240140 FOWXHQVJIGHOCB-WMZOPIPTSA-N 458.588 2.102 30 10 JEEE C=CCn1c(S[C@H](CO)C(=C)C)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 1307264424 XAWDEQNNFVFBFC-GOSISDBHSA-N 450.586 2.181 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCCOc1ccc(C)cc1 1358890141 LQBDYFINKFGYJY-TZIWHRDSSA-N 475.615 2.237 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2C[C@H](C)CN2CCOCC2)c1 1358901640 RLAOCRKVQYLZHQ-HXUWFJFHSA-N 473.581 2.365 30 10 JEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1358933977 KYZDMQGESXECLH-KRWDZBQOSA-N 475.582 2.060 30 10 JEEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCN1CCOCC1(C)C 1358947068 QNVBSELIPJZCAR-UHFFFAOYSA-N 463.586 2.245 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCC=CO1)[C@H]1CCS(=O)(=O)C1 1358956175 BJJLXUXFQFFDNZ-HOTGVXAUSA-N 480.388 2.355 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1CC1(SC)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1358965020 MHPGJADSMDTXLB-GOSISDBHSA-N 480.681 2.469 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@@H](OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1358966497 QCJPSSFUWOVJRC-TZIWHRDSSA-N 458.584 2.217 30 10 JEEE C#CCN(c1nnc(COCC)n1Cc1ccc(NC(=O)NC(C)C)cc1)[C@H]1CCS(=O)(=O)C1 1358968116 ZRRHHBGUYOGFGW-FQEVSTJZSA-N 488.614 2.020 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCN1C[C@@H](C)O[C@H](C)C1 1359021303 KHZXBOJTAZHVQD-WOJBJXKFSA-N 469.586 2.302 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C(F)(F)F)cc2)CC1 1359044274 AYXQYDBJLRZVMK-SFHVURJKSA-N 474.487 2.262 30 10 JEEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1359051819 KXHMCVSYJADMIU-UHFFFAOYSA-N 472.578 2.004 30 10 JEEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1359075697 CFBIVFZZAWEWEN-HNNXBMFYSA-N 451.369 2.014 30 10 JEEE C=C(Br)Cn1c(C)nnc1N1C[C@@H](C(=O)OC)[C@H](CNC(=O)OC(C)(C)C)C1 1359078314 XUDFOVMAOFBXAQ-ZIAGYGMSSA-N 458.357 2.245 30 10 JEEE C=C(C)COCCn1c(-c2ccc(Br)s2)nnc1N1CCO[C@H](C(=O)NC)C1 1359128251 OHFRJAXUJOBQLD-ZDUSSCGKSA-N 470.393 2.313 30 10 JEEE C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(Cn2ccnn2)CC1)c1ccccc1 1359137808 BLBHKYRYLWPQJS-SFHVURJKSA-N 470.603 2.110 30 10 JEEE C=CCCCn1c(N2C[C@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)nnc1[C@]1(OCC)CCOC1 1359221266 WSXDQLDNJBFBBY-HOKHCIIBSA-N 474.650 2.275 30 10 JEEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCN(Cc2cnc(C)s2)CC1 1359303007 AYFBAOAWTXBVCF-UHFFFAOYSA-N 465.627 2.453 30 10 JEEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)cc1 1442268266 VBQBCKSRSFVSAV-HSZRJFAPSA-N 454.527 2.055 30 10 JEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC(NC(=O)OCc3ccccc3)CC2)c1 1454886275 CFSDYYFFTIOQRQ-UHFFFAOYSA-N 455.536 2.129 30 10 JEEE CCO[C@]1(c2nnc(N(C)C[C@@H](C)C#N)n2CCNC(=O)c2ccc(C)c(F)c2)CCOC1 1502626811 CJJDAXNHBVJWMA-QMHKHESXSA-N 458.538 2.404 30 10 JEEE CN(Cc1cscn1)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCS(=O)(=O)C1 1503512200 HKGDGOMVCXAOMU-MRXNPFEDSA-N 458.569 2.256 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H](OC)c1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 1507631031 AZRAYEXBBGLXHB-RLLQIKCJSA-N 479.002 2.450 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CCC[C@@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1507634765 MIDVGMHXRXVFDH-SFTDATJTSA-N 457.600 2.240 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@]2(C)COCCO2)CC1 1507736113 MLGXROPTJSAOJE-AVRWGWEMSA-N 485.560 2.329 30 10 JEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)Nc2ccc(C)cn2)CC1 1507753223 DCXQNNYIEPLFJP-SFHVURJKSA-N 467.599 2.154 30 10 JEEE C=C(Cl)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@H]1c1nncn1C 1507856342 GSKNBCZNMTZBME-QGZVFWFLSA-N 476.994 2.418 30 10 JEEE C=CCCOCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(C(C)=O)C[C@H]1C 1507961852 HUEQHHRIRUOSCZ-GOSISDBHSA-N 479.585 2.325 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccn(C)n1 1508009461 ZAUILEGBFWQYST-GOSISDBHSA-N 458.563 2.488 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1508070594 AJPWZTJISFNTJG-HXUWFJFHSA-N 493.612 2.192 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 1508085392 UJSWIPGIRVAJON-UHFFFAOYSA-N 465.602 2.041 30 10 JEEE COCC[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1518958333 GASIBJYASLHYSB-YDIMBITNSA-N 456.591 2.150 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(CC(C)(C)C)n1CCN1CCCS1(=O)=O 1519150814 GJHBJZSWOPIQOR-UHFFFAOYSA-N 474.631 2.427 30 10 JEEE N#Cc1ccc(OCC(=O)N(CC(F)F)C2CCS(=O)(=O)CC2)cc1Br 1525132581 BZGHYLHRURBPSE-UHFFFAOYSA-N 451.289 2.370 30 10 JEEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCNC(=O)OC(C)(C)C 1539190595 NQIMRXBEWXIMGI-UHFFFAOYSA-N 467.618 2.237 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2ccccc2F)n1Cc1cc(C)nn1C)[C@@H]1CCS(=O)(=O)C1 1539205380 HKKHBKXHAYAHBM-QZTJIDSGSA-N 486.573 2.274 30 10 JEEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1539521094 XWGFVQVBLIEQNO-LJQANCHMSA-N 472.615 2.360 30 10 JEEE C=C(C)Cn1c(C2CCC2)nnc1N1C[C@@H]2[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1539701507 JNXAIUAUIOENSN-IXDOHACOSA-N 451.593 2.248 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cc(C)cc(OC)c2)CC1 1539891112 YBLIRVSJZDAQHW-NRFANRHFSA-N 475.615 2.379 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(c2nc(C)cc(OCC)n2)CC1 1540867211 OIXLDJLTWAOXFF-UHFFFAOYSA-N 492.584 2.080 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Br)nnc1N1CCN2C(=O)CC[C@H]2C1 1540899942 FUPSYJMCENXDFE-HNNXBMFYSA-N 494.415 2.119 30 10 JEEE C=CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN2C(=O)NC[C@H]2C1 1540908184 RAJDMJNGIJNRBA-SFHVURJKSA-N 455.588 2.280 30 10 JEEE CC(C)NS(=O)(=O)CCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCO[C@@H](C#N)C1 1543874030 BJGSHKCGOGRNOD-WBVHZDCISA-N 478.644 2.188 30 10 JEEE CCCCN(C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2C#N)CC1 1547005620 BCVQKFHTMWKVEH-OAQYLSRUSA-N 485.658 2.110 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(C(=O)N=[S@](C)(=O)N(C)C)cc3)cc2C1=O 1587329551 LCWSTPYAYAXWIZ-YTTGMZPUSA-N 454.508 2.436 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@@H](C)c1nccs1)[C@H]1CCS(=O)(=O)C1 1588029636 JTBHBBQXEPTOHV-WBVHZDCISA-N 478.644 2.083 30 10 JEEE C#CCN(c1nnc(CC2CCCC2)n1CC1(SC)CCN(C)CC1)[C@H]1CCS(=O)(=O)C1 1588065431 YMUKIWVYQQPBHC-FQEVSTJZSA-N 479.716 2.465 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCc2ccc(S(C)(=O)=O)cc2)CC1 1588780280 KMLQNTOKEIAMCS-UHFFFAOYSA-N 485.013 2.395 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CC(C)(C)COC)CC1 1588929805 HDAMVJYBCRTBDF-OAQYLSRUSA-N 467.570 2.429 30 10 JEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](c2nc(C)cs2)C1 1588984704 JMDBFASCKWKVMU-JKSUJKDBSA-N 468.674 2.404 30 10 JEEE C#CCSCCn1c(COc2ccc(F)cc2)nnc1N1CCC(S(C)(=O)=O)CC1 1589117000 RGIYRKAXYQINOQ-UHFFFAOYSA-N 452.577 2.376 30 10 JEEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2cc(F)cc(C)c2C1 1593747261 SWKNIYPFFDSHCP-NRFANRHFSA-N 493.605 2.214 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(O)(CCC)CCC)CC1 1594241672 YRJRFAVURSTWJJ-LJQANCHMSA-N 469.652 2.345 30 10 JEEE C=CCCOCCn1c(-c2cccc3cccnc23)nnc1N1CCN(CC(=O)N(C)C)CC1 1594799108 ZUJZQMWLBJGTBM-UHFFFAOYSA-N 463.586 2.296 30 10 JEEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCNC(=O)c1ccco1 1594963606 VHWDUXKQWJJPSS-MRXNPFEDSA-N 460.535 2.232 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(OC)CCOC1 1595099984 LTNPZFWTDQXGBX-OFNKIYASSA-N 471.583 2.050 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C)c(Br)c2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1595500716 CSDOKAOSQRGCKH-MRXNPFEDSA-N 496.431 2.332 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)OC1CCCC1 1595765782 GRNPUFRMXWLNOP-UHFFFAOYSA-N 468.601 2.260 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1595776497 AWPRPTHIEMDLBY-FQEVSTJZSA-N 468.583 2.009 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)c1ccccc1F 1611307766 GQWPVHVGNCREQR-QFBILLFUSA-N 478.594 2.466 30 10 JEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@]2(Cc2ccccc2)C(=O)OCC)c1 1615097703 KROGRYZOSGZBPI-DEOSSOPVSA-N 454.548 2.379 30 10 JEEE CSCc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@H](C)CC#N)cc1 1620247771 HHBJCELZOVZGDW-VQIMIIECSA-N 478.644 2.261 30 10 JEEE CCOC(=O)c1c(NC(=O)N[C@H]2CCN(c3ccccc3F)C2=O)c(C#N)cn1CCOC 1623540592 FZYRXGGGOWVXSU-INIZCTEOSA-N 457.462 2.249 30 10 JEEE C#CCN1CCN(C(=O)CSc2nnc(N3CCCCC3)n2-c2ccccc2OC)CC1 1640775524 XZUKFDGTHKCHRX-UHFFFAOYSA-N 454.600 2.136 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1CCc1nccs1)[C@@H]1CCS(=O)(=O)C1 1689991758 BZSARDPWXVENKT-GOSISDBHSA-N 471.608 2.203 30 10 JEEE C#CCN(c1nnc(COCC)n1CCC1CCN(CC(F)(F)F)CC1)[C@@H]1CCS(=O)(=O)C1 1689997215 XSVUHXMACKXUSE-GOSISDBHSA-N 491.580 2.106 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCS(=O)(=O)NC(C)C 1690072438 IESVIKVFWUZLNU-UHFFFAOYSA-N 485.614 2.023 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2CCNC(=O)C(C)(C)C)CC1 1690150650 PFSQOGQYZQXUNZ-UHFFFAOYSA-N 480.613 2.028 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCS(C)(=O)=O 1690214483 LMFVVBHMTJXHSJ-HRAATJIYSA-N 451.593 2.387 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2ccccc2)C1 1690238004 DIJMXHFLYBTGGU-PBASOCQRSA-N 475.615 2.447 30 10 JEEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1690305730 GSFXMBWVWMKRLE-UHFFFAOYSA-N 469.011 2.446 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1690660917 QVNWUJUEUOZXJU-UNMCSNQZSA-N 496.612 2.165 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCCOC)C1 1690699938 LNLHUYBBCCCJMS-ROUUACIJSA-N 451.568 2.404 30 10 JEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1690744638 QWEGRFXYLMLFFV-FQEVSTJZSA-N 496.747 2.094 30 10 JEEE CCN1CCCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1695847287 CWKRPGIXVBJZQG-QHCPKHFHSA-N 478.645 2.485 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCCOC(C)C)[C@H]1CCS(=O)(=O)C1 1705562611 GOHGJFKFFLFOFD-KRWDZBQOSA-N 451.980 2.435 30 10 JEEE C#CCN(c1nnc(-c2ccccc2)n1CCCOC[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1705564500 OTXPMXYSFUQPSM-NHCUHLMSSA-N 458.584 2.158 30 10 JEEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1C[C@@H]1CCOC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1705567915 CPTJXEDAQJYOFD-AABGKKOBSA-N 488.610 2.165 30 10 JEEE C#CCN(c1nnc(CCOc2ccccc2)n1CCc1ccccn1)[C@@H]1CCS(=O)(=O)C1 1705568028 FWNDXDQDXCWJFQ-OAQYLSRUSA-N 465.579 2.164 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCC(F)(F)F)cc1 1705582572 DRQGAXCDCGHCJA-QGZVFWFLSA-N 466.485 2.242 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1Cc1ccc(NC(C)=O)nc1 1705628944 SVCIDIVRGZWGLQ-OAQYLSRUSA-N 462.510 2.278 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(F)cc2C(F)(F)F)CC1 1705639566 RBTOXURKMFYYGA-MRXNPFEDSA-N 485.507 2.142 30 10 JEEE C#CCSCCn1c(COc2ccccc2F)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1705666587 WFSTXMOSYUNICT-UHFFFAOYSA-N 486.617 2.107 30 10 JEEE C=C(C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1705722950 QUHIPRSGWZKXBK-NRFANRHFSA-N 454.575 2.281 30 10 JEEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](c2ccccc2)O[C@H](C)C1 1705731391 VAOMEQQDJVSRGG-WSTZPKSXSA-N 463.604 2.447 30 10 JEEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1705737942 GDBGEQMRHWDYHZ-JOCHJYFZSA-N 473.603 2.041 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC[C@H](C(N)=O)C1 1705903912 YZAQWLKXDABDEO-HNNXBMFYSA-N 461.364 2.020 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC(c3cnn(CC)c3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1705907990 DSJZFCKYURVBJU-DEOSSOPVSA-N 471.606 2.221 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(Cc2cccs2)CC1 1705932010 IAGYNIFQPXDDAU-UHFFFAOYSA-N 458.613 2.325 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCO[C@H](c3cccc(F)c3)C2)nnc1[C@@]1(OCC)CCOC1 1705938568 CLZPEGVNXNZBAY-NZQKXSOJSA-N 494.589 2.248 30 10 JEEE N#C[C@]1(F)CCN(c2nnc(-c3cccc(Br)c3)n2CC2(C(N)=O)CCOCC2)C1 1712874808 COKPPHSWJILIKW-HXUWFJFHSA-N 477.338 2.432 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CC1(SC)CCN(C)CC1)[C@@H]1CCS(=O)(=O)C1 1722359183 IXOTULVJRNOIQA-OAQYLSRUSA-N 498.678 2.271 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC2([S@@](C)=O)CCC2)CC1 1722433705 DMWSYPPGPYXDNI-JGCGQSQUSA-N 457.600 2.019 30 10 JEEE C#CCSCCn1c(N2CCN(c3nc(C)cc(C)n3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1722464708 PQCNENQGNXULLO-DEOSSOPVSA-N 485.658 2.419 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1722700848 XEPOSCHZUFLDRS-PKOBYXMFSA-N 469.590 2.306 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCOC[C@H](C2CCC2)C1 1722706258 PGTNYZVYUCOTPH-LJQANCHMSA-N 455.559 2.421 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCN(c2ccccc2Cl)CC1 1722728614 YCLSVIYODDSMLT-UHFFFAOYSA-N 473.990 2.316 30 10 JEEE CCC[C@@H](C)C(=O)NCCn1c(-c2cccn2C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1727927039 DGGMLHYKUHGBRN-LJQANCHMSA-N 475.601 2.429 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCNC(=O)c1occc1C 1740542182 QBEASRNQGWNIGF-KRWDZBQOSA-N 459.514 2.100 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CC(CC)(CC)OC)c1 1740562376 JGIQAHTUXLVQLH-LJQANCHMSA-N 452.559 2.491 30 10 JEEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C[C@H]2CCCO2)CC1 1740591360 ONUWHIRTGCUDID-RTWAWAEBSA-N 488.633 2.301 30 10 JEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(S(C)(=O)=O)cc1 1740610482 CCRCWQVYNFNVIG-LJQANCHMSA-N 489.598 2.108 30 10 JEEE C#CCN(c1nnc(-c2cnn(-c3ccccc3)c2)n1CCOCC(=C)C)[C@H]1CCS(=O)(=O)C1 1740621469 LYEJLNSOVWFYDU-QFIPXVFZSA-N 480.594 2.350 30 10 JEEE C#CCN(c1nnc(CCOc2ccccc2)n1Cc1oc(CC)nc1C)[C@H]1CCS(=O)(=O)C1 1740624350 ICDUFTWOXFUENK-IBGZPJMESA-N 483.594 2.433 30 10 JEEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1Cc1cccc(CN2CCO[C@@H](C)C2)c1 1740631525 JZBBKFXQJSKIKE-CUNXSJBXSA-N 477.609 2.272 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 1740657782 YJBRAJGSIYDZHC-FQEVSTJZSA-N 487.626 2.210 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccccc3Br)n2C[C@]2(O)CCSC2)CC1 1740694127 ZFRPJRAUELKTMY-HXUWFJFHSA-N 462.417 2.331 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCCN2C[C@H](C)C[C@@H](C)C2)CC1 1740704618 PZHJTJKROIYIRP-WOJBJXKFSA-N 466.634 2.012 30 10 JEEE C#CCSCCn1c(N2C[C@H](C)O[C@]3(CCCOC3)C2)nnc1[C@@]1(OCC)CCOC1 1740722013 AYAJIGINIJGRIP-VLCRHTCISA-N 450.605 2.071 30 10 JEEE C=CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1740875199 VIYGKZXCGHMMGX-INIZCTEOSA-N 461.592 2.481 30 10 JEEE C=CCCOCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(CC)[C@@H](C)C1 1740884815 NQSOFZMRAWKHHF-SFHVURJKSA-N 461.636 2.361 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)NC(C)C)n1CCC1(O)CCOCC1 1740914121 LZAZWRFUVMSNMN-UHFFFAOYSA-N 452.559 2.412 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[C@@H]2CCCCO2)c1 1748692063 CQWJHNMWMRMSCP-FPOVZHCZSA-N 485.610 2.196 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3OCC[C@H]3COC)n2CCNC(=O)C(C)(C)C)c1 1748697690 LSYAVFMKUCJSLP-UGKGYDQZSA-N 496.612 2.221 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@H](c1ccco1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1748809408 MPIMPBGVXWJHMQ-NHCUHLMSSA-N 478.578 2.339 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC1C[C@H](C)O[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1748815655 SONBPEMCTWJNKT-XEYPJELSSA-N 450.605 2.350 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCOc1ccc(OC)cc1 1748892023 HYYQVHJPFKZJLT-LJQANCHMSA-N 456.568 2.121 30 10 JEEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1749114627 DPTWJIPVPLPMRM-FPXQBCRKSA-N 457.369 2.295 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1)C(C)C 1749558368 UAZMJNBQPJCHFM-BAGYTPMASA-N 466.634 2.340 30 10 JEEE C=CCN(CC=C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCCCS1(=O)=O 1749573050 KGJKBRHAJLXNEE-KRWDZBQOSA-N 468.583 2.338 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCO[C@@H](C)C1 1749661151 ZTCBSPQDYVENHC-ZDUSSCGKSA-N 450.337 2.244 30 10 JEEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H](c2nc(C)c(C)s2)C1 1749677632 GIIHRMCLRNOWSQ-KRWDZBQOSA-N 457.604 2.160 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccn3)n2Cc2cccc(S(=O)(=O)NC)c2)C1 1749703609 LGMKMNDNGPIQSN-GOSISDBHSA-N 454.556 2.078 30 10 JEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1Cc1cccn(CC)c1=O)[C@@H]1CCS(=O)(=O)C1 1760181205 QZISGGREBAYZDU-HXUWFJFHSA-N 485.997 2.455 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1CCO[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1760181497 WCLUVGPZYJBWHN-QWFCFKBJSA-N 488.610 2.404 30 10 JEEE C#CCN(c1nnc(-c2nnc(O)c3ccccc23)n1CC(C)(C)OCC)[C@@H]1CCS(=O)(=O)C1 1760190208 ULIWJPTXDMNVJJ-MRXNPFEDSA-N 484.582 2.036 30 10 JEEE C#CCN(c1nnc(COCC)n1Cc1ccc(Cl)cc1OC)[C@@H]1CCS(=O)(=O)C1 1760192784 NQSXEBPAEDCEOP-QGZVFWFLSA-N 452.964 2.152 30 10 JEEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1760229759 DJRGCPSQVWOGQH-KDURUIRLSA-N 463.590 2.268 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)Nc2ccccn2)n1CCCc1cnn(C)n1 1760240679 YSJXDLXVJPLYDG-UHFFFAOYSA-N 473.516 2.466 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(F)cc2Br)n1Cc1nnnn1CC1CC1 1760245394 BFSGBHGDVBSJNS-UHFFFAOYSA-N 489.353 2.378 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ncc(Cl)n1C 1760321447 GPMYXQWVWAPABC-RKVPGOIHSA-N 469.011 2.185 30 10 JEEE C=C(C)CN(CC)c1nnc(C(=O)N2CCCC2)n1CC1(N2CCOCC2)CC(OCC)C1 1760327435 HCUSUOCUBJCHBZ-UHFFFAOYSA-N 460.623 2.186 30 10 JEEE C=C(C)COCCn1c(-c2cccc(C)n2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1760355512 MVWRRNVFKMOQPC-XXBNENTESA-N 467.618 2.230 30 10 JEEE C=CC[C@H](Cn1c(C(C)C)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1)c1ccccc1 1760417241 ZMYQZNLNQVXKLQ-JOCHJYFZSA-N 480.613 2.269 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ccc(F)c(Cl)c1 1760464612 LIEHSTMRDOZGCB-KRWDZBQOSA-N 473.958 2.105 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2c[nH]c3ccccc23)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1760553527 DUGLYNZVNHMSAH-JKSUJKDBSA-N 479.628 2.285 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCC(CC(=O)N(C)C)CC1 1760556798 QJPVXONOMBFDGX-UHFFFAOYSA-N 465.645 2.226 30 10 JEEE CC(C)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCCS2(=O)=O)CC1=O 1761120536 AQVCDRWMIUHCMN-FQEVSTJZSA-N 470.599 2.089 30 10 JEEE CC(C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](c2ccco2)N(C)C)CC1 1761262898 GLCSDARPYKXNKM-JOCHJYFZSA-N 490.612 2.359 30 10 JEEE C[C@@H]1OCC[C@@]1(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(CC(=O)N(C)C)CC1 1763267791 BKOYQXNSTQUWAN-BXKMTCNYSA-N 452.559 2.051 30 10 JEEE CCNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)N(C)C2CC2)CC1 1765664102 GWEOCFUTRXPYKJ-GOSISDBHSA-N 466.590 2.063 30 10 JEEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@](C)(OC)C2CC2)C1 1767252113 GSUBPYBVMMAXIS-KNQAVFIVSA-N 458.588 2.150 30 10 JEEE N#Cc1cccc(NC(=O)[C@@H]2CCN(C(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)C2)c1 1858376061 IMMYQYARKCDDTN-LJQANCHMSA-N 452.536 2.444 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCNC(C)=O)[C@@H]2c2cc(OC)c(O)c(OC)c2)cc1C 1862408001 BEVMYSUOQVWZHK-OAQYLSRUSA-N 484.505 2.441 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccc(O)c2)cc1OC 1862571780 OOIBRELLWFTMDU-JOCHJYFZSA-N 468.506 2.320 30 10 JEEE Cc1cc(Br)ccc1-n1nnc(C#N)c1NC(=O)CN1C(=O)c2ccccc2C1=O 1870144192 RNRNFNVGHPIDIL-UHFFFAOYSA-N 465.267 2.445 30 10 JEEE C=CCOc1cn(C[C@H](C)O)c(CNc2ccc(C(=O)NCCN(CC)CC)cc2)cc1=O 1870811682 GRJHIIBWXOODRX-IBGZPJMESA-N 456.587 2.478 30 10 JEEE COc1cccc(/C=N/n2c(SCC(N)=O)nnc2[C@@H]2CC(=O)N(Cc3ccccc3)C2)c1OC 1874210675 ZYSIPJXFXHBUJX-ROJKJRQJSA-N 494.577 2.271 30 10 JEEE COc1cc(/C=N/n2c(CNC(C)=O)nnc2SCCO)ccc1OC(=O)c1ccccc1 1874435945 FVJFOGZRCRADLR-ZMOGYAJESA-N 469.523 2.109 30 10 JEEE CC(=O)NCc1nnc(SCC(=O)N[C@@H](C)c2ccccc2)n1/N=C/c1ccccc1O 1874436374 XXCSDZHDTZHHHJ-ZWGXDWAISA-N 452.540 2.472 30 10 JEEE CCN1CCN(CC#CCOC2CCN(C(=O)CCCS(=O)(=O)Cc3ccccc3)CC2)CC1 1890474671 CMKHBTYAJRMVCM-UHFFFAOYSA-N 489.682 2.030 30 10 JEEE COc1ccc([C@@H]2[C@H](C(=O)N3CC(COc4cccnc4C#N)C3)OCC(=O)N2C(C)C)cc1 1891421381 DHWANNDTNLGHMG-DNQXCXABSA-N 464.522 2.176 30 10 JEEE N#Cc1cccc(N2CCN(C(=O)C3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)CC2)c1 1892320026 AZMHRMFCMRETMY-UHFFFAOYSA-N 456.543 2.447 30 10 JEEE CC(C)(C)OC(=O)NCCC(CCNC(=O)OC(C)(C)C)NS(=O)(=O)c1cncc(C#N)c1 2140757169 ASCPMQKASMABNW-UHFFFAOYSA-N 483.591 2.430 30 10 JEEE CC(C)(C)OC(=O)NCc1cncc(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)c1 2180991720 QICOMTZITJBAQD-UHFFFAOYSA-N 455.324 2.448 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CC[C@H]1NS(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2255950013 FODPSXDDVMWSKY-JKSUJKDBSA-N 452.382 2.320 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1COC[C@@H]1C(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)cs1 2256678697 QIMSFDAKMVWWKN-HOTGVXAUSA-N 452.382 2.203 30 10 JEEE CN(CCOCCN(C)C(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2267174199 SDPYIWKCNIAVTH-UHFFFAOYSA-N 469.413 2.398 30 10 JEEE CN1CCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)[C@@H](CNC(=O)OC(C)(C)C)C1 2267290615 FNHOFLOZUZAWCZ-HNNXBMFYSA-N 465.425 2.328 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H]1C(=O)Nc1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2268630309 IXNJFJDBVTXAIN-WMLDXEAASA-N 450.316 2.434 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NC[C@@H]2[C@@H](OC)[C@@H](OC)CN2C(=O)OC(C)(C)C)C1 2281273873 YQLRMYMHNVQNMV-BNLNMVPUSA-N 481.590 2.059 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@H](NC(=O)c2cccc(F)c2B2OC(C)(C)C(C)(C)O2)C1 2281772392 JGGAYQPMSGYVAV-IAGOWNOFSA-N 464.343 2.225 30 10 JEEE CC(C)(C)OC(=O)N1CC(O)(CCNC(=O)c2c(F)cccc2B2OC(C)(C)C(C)(C)O2)C1 2281777623 IHYSSRFQXVAFGX-UHFFFAOYSA-N 464.343 2.227 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NCCOCCNC(=O)OC(C)(C)C 2281822386 KGPZHRSJICRACM-UHFFFAOYSA-N 464.368 2.266 30 10 JEEE Cn1ncc(C(=O)N2CCC[C@@H]3[C@@H]2CCN3C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2281827399 VKUXCNWXTAJMBN-SJORKVTESA-N 460.384 2.333 30 10 JEEE CCOC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)C#CB1OC(C)(C)C(C)(C)O1 2281936457 NMNIWFICRKHNRS-IAGOWNOFSA-N 464.368 2.316 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)[C@H]2COC[C@@H]12 2282190967 UBDSKYFJUVHXSB-OTWHNJEPSA-N 458.364 2.350 30 10 JEEE CC(C)(C)OC(=O)N1CC2(CC[C@H](CNC(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)o3)O2)C1 2282199673 HLYALVZTGVNXLR-OAHLLOKOSA-N 462.352 2.477 30 10 JEEE CC(C)(C)OC(=O)N1CC2(CCOCCN2C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)C1 2282205157 ZTUYXLRDRLWTPW-UHFFFAOYSA-N 462.352 2.431 30 10 JEEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@@H]3CN(Cc4ccccc4)CCO3)cc2)OC1(C)C 2282349752 CSLWPMBNRZOYHB-OAQYLSRUSA-N 472.416 2.165 30 10 JEEE C=C(CS(=O)(=O)N1C[C@H]2[C@H]3CC[C@@H]([C@H]2C1)N(C(=O)C(F)(F)F)C3)B1OC(C)(C)C(C)(C)O1 2282491838 MPXPOUXYOBXVDP-VGWMRTNUSA-N 478.342 2.235 30 10 JEEE CC1(C)OB(c2cc(F)c(C(=O)N3C[C@H]4C[C@H]3CN4C(=O)C(F)(F)F)c(F)c2)OC1(C)C 2282565442 KDXDOHXGPYCKDJ-NWDGAFQWSA-N 460.208 2.252 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](NC(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)C[C@]2(C)C1 2282586802 DFKXYSJFWHXCNP-XAPDGSRCSA-N 460.384 2.474 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](CNC(=O)c3ncc(B4OC(C)(C)C(C)(C)O4)cn3)[C@@H]2C1 2282611888 PVDFKZXCTHXCLH-IXDOHACOSA-N 458.368 2.009 30 10 JEEE Cc1cccc(C(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)c1B1OC(C)(C)C(C)(C)O1 2282647555 CVLFIJKXXWEXKM-WMZOPIPTSA-N 460.380 2.252 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(C(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)c1 2282679741 DRXCWUDRJKCUOY-PKOBYXMFSA-N 460.380 2.252 30 10 JEEE CC(C)(C)OC(=O)N1CC2(CCCN(C(=O)c3ncncc3B3OC(C)(C)C(C)(C)O3)C2)C1 2282706785 QJOIDMQSWGARIQ-UHFFFAOYSA-N 458.368 2.249 30 10 JEEE CC(C)(C)OC(=O)NCc1ncc(C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)cn1 2283949963 GDPOVHCWZKCIQX-UHFFFAOYSA-N 475.380 2.187 30 10 JEEE COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1NC(=O)[C@@H](NC(=O)OC(C)(C)C)C1COC1 2284017039 JLKFQRPZMUQSMR-SFHVURJKSA-N 462.352 2.473 30 10 JEEE CN(Cc1sccc1B1OC(C)(C)C(C)(C)O1)C(=O)[C@@H](F)C1(O)CN(C(=O)OC(C)(C)C)C1 2284054274 ACHHSWCKMPJWJA-MRXNPFEDSA-N 484.399 2.326 30 10 JEEE CC1(C)OB(c2cccc(S(=O)(=O)N[C@@H](COCc3ccccc3)CC(=O)O)c2)OC1(C)C 2284410900 FJKZFXWBNWNKDN-LJQANCHMSA-N 475.372 2.324 30 10 JEEE CN(CC1(O)CN(C(=O)OC(C)(C)C)C1)C(=O)c1c(F)cccc1B1OC(C)(C)C(C)(C)O1 2287312687 JVUXDRIVGRNFRQ-UHFFFAOYSA-N 464.343 2.179 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)c1nc(NC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)n[nH]1 2337395734 DGVZIGFHKMHEMD-JTQLQIEISA-N 464.357 2.398 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2CNC(=O)OC(C)(C)C 2362338737 TXBCIIOOUISYPM-OAGGEKHMSA-N 460.384 2.237 30 10 JEEE CC(C)(C)OC(=O)N1CCN(Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)[C@H](CC(N)=O)C1 2369255572 MGQCRZAMLIDHCI-LJQANCHMSA-N 459.396 2.283 30 10 JEEE CC(C)(C)OC(=O)N1CC(c2c[nH]nc2NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2380487593 LNNDYDSYGMDBBH-UHFFFAOYSA-N 458.328 2.019 30 10 JEEE NS(=O)(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2c2ccncc2)cc1 170359019 KRGZUANJTQLWRL-IBGZPJMESA-N 480.458 2.420 30 10 JEEE C#CCN(C(=O)c1ccc(S(=O)(=O)Nc2ccc(C)c(C)c2)cc1)[C@H]1CCS(=O)(=O)C1 729332455 YEPCOPUAMYPNAP-FQEVSTJZSA-N 460.577 2.367 30 10 JEEE COCCCN=c1scc(-c2ccc(O)c(C(N)=O)c2)n1N=Cc1cnn2ccccc12 729631087 IZRNVUCVBRAUNC-UHFFFAOYSA-N 450.524 2.488 30 10 JEEE CC#CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](CN(C)C)C(=O)O 757203098 WDKGJBVVQKWTBW-PKTZIBPZSA-N 463.534 2.438 30 10 JEEE Cn1ncc(CNC(=O)C#CCNC(=O)OCC2c3ccccc3-c3ccccc32)c1C(=O)O 757485237 ZXPGTYMWGUFZLU-UHFFFAOYSA-N 458.474 2.277 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(C(=O)CC3CCCCC3)CC2)s1 1136538236 PBCNRFPACKSDBP-UHFFFAOYSA-N 453.630 2.396 30 10 JEEE C=C(C)Cn1c(SCC(=O)N2CCc3ccc(S(N)(=O)=O)cc32)nnc1-c1ccco1 1146324184 IMAWQMZGYBLESY-UHFFFAOYSA-N 459.553 2.443 30 10 JEEE C#CCNS(=O)(=O)c1cccc(C(=O)N(CCO)Cc2cc(Br)cs2)c1 1154180909 NBFIRUAUHWCNDH-UHFFFAOYSA-N 457.371 2.057 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2CCCN2CCOC2=O)c1 1286309498 LFSAHIVGTGRTGO-UHFFFAOYSA-N 461.526 2.182 30 10 JEEE C#CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCN(CCOC)CC1 1286348984 RNAFPIHQEWWZSF-UHFFFAOYSA-N 463.586 2.418 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1Cc1ncccc1N(C)C)[C@H]1CCS(=O)(=O)C1 1286397007 QVSMQVLBSRYONQ-FQEVSTJZSA-N 494.621 2.302 30 10 JEEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1C[C@@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C 1286416933 ZTQBPGSNBXLCCI-RBUKOAKNSA-N 454.575 2.119 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(Br)c2)n1CC(=O)N1CCOCC1 1286422327 KTCJSYDLEJTETO-UHFFFAOYSA-N 456.344 2.029 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H](N1CCOCC1)C(F)(F)F 1286424610 ZMXRSQLVVSBQGI-HXUWFJFHSA-N 475.471 2.400 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CCc2ccc(OC)c(OC(F)F)c2)CC1 1286478928 DRBPEKKYMPTQRM-GOSISDBHSA-N 461.513 2.390 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1286547460 GFALKRKEOROJOK-ZWKOTPCHSA-N 498.550 2.390 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cc(C(C)(C)C)no2)CC1 1286645577 FTLQOHKYJFKMSP-KRWDZBQOSA-N 464.592 2.101 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCc2nccn2C1 1286742220 HLVGABZPQIZXLC-WIYYLYMNSA-N 494.625 2.412 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1occc1C 1286766293 PCSAQADERFRKCO-FQEVSTJZSA-N 475.571 2.389 30 10 JEEE C=CCOc1ccc(Cn2c(-c3cnn(C)c3)nnc2N2CCC[C@H](CN(C)S(C)(=O)=O)C2)cc1 1286794386 FKXNEPLELWOROR-HXUWFJFHSA-N 499.641 2.400 30 10 JEEE C=CCOc1ccc(Cn2c(-c3cccnc3)nnc2N2CCN(CC(=O)N(C)C)CC2)cc1 1286794722 OZXFZZAEEAYYPB-UHFFFAOYSA-N 461.570 2.163 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@H]2CCCOC2)C1 1286805959 VUKCFVVYRIQTCC-QUCCMNQESA-N 475.615 2.403 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[C@](C)(C(=O)NC)C1 1286816959 JIQMWLWKNUELJH-ZHRRBRCNSA-N 479.578 2.120 30 10 JEEE Cc1cc(C)n(Cc2nnc(N3CCCN(Cc4ccc(C#N)cc4)CC3)n2CC(C)(C)O)n1 1290638989 FBQOPIBKVWQLIW-UHFFFAOYSA-N 462.602 2.495 30 10 JEEE CCc1nn(C)c(OC)c1Cn1c(CCc2ccc(OC)cc2)nnc1N1CCO[C@@H](C#N)C1 1292780601 FQJHFCVQNGXXPW-IBGZPJMESA-N 465.558 2.153 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H](N1CCOCC1)C(F)(F)F 1300285243 YZVHPIQDOKZWLG-QAPCUYQASA-N 485.532 2.070 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CC3)n2C[C@H]2CCCCS2(=O)=O)c1 1300334753 SCWXACUQQPOHBI-HXUWFJFHSA-N 455.584 2.254 30 10 JEEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1CC[S@@](=O)CC)[C@H]1CCS(=O)(=O)C1 1300481677 AZBPSOQLSUNKEB-KVJLEPHUSA-N 462.641 2.215 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H](C)Oc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1300506083 MDOVZFGMQKGVFH-DYQZNNLLSA-N 488.610 2.096 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1(OCCOC)CCOCC1 1300569137 CRCCCTXWFKGKQG-UHFFFAOYSA-N 480.565 2.391 30 10 JEEE C#CCSCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1300755256 PGYDOXQSYBBAOM-NRFANRHFSA-N 480.619 2.124 30 10 JEEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1Cc1ccccc1 1300764641 ZIUVTYHZBCCXAC-RTWAWAEBSA-N 489.667 2.189 30 10 JEEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1300844480 OPCIVRTYFKAIOY-JKSUJKDBSA-N 478.395 2.478 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)Cc1ccccc1OC 1301043626 AAIBFRGXONEDTG-LPHOPBHVSA-N 484.022 2.440 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@](C)(C#N)C1 1301576513 WHJHKRHUUOLWGZ-NRFANRHFSA-N 477.612 2.079 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1301577307 HQGXCHRWRPONKG-HSZRJFAPSA-N 476.599 2.329 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(c2cccc(OC)c2)CC1 1301579774 XYGCYDLTTHJUPC-UHFFFAOYSA-N 456.572 2.209 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1csc(Br)c1 1301587069 XHSRTLLTGICXET-CYBMUJFWSA-N 488.433 2.290 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCc3c(F)ccc(F)c3C2)nnc1[C@]1(OCC)CCOC1 1301596090 HOUVKSIRHSRCPX-QFIPXVFZSA-N 482.553 2.372 30 10 JEEE CC(=O)N1CCC[C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3cccc(F)c3C#N)CC2)C1 1301677515 FMSMQGDNIHSPIJ-LJQANCHMSA-N 496.591 2.012 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc(COc2ccc(Cl)cc2)n1CC1(O)CCS(=O)(=O)CC1 1301970520 GFVPLTRDNQQOHX-HNNXBMFYSA-N 467.979 2.046 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCC1(C)CC1 1303860992 CUONHVVSSMMCSJ-QGZVFWFLSA-N 457.604 2.277 30 10 JEEE CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1314532523 BDBGPTRWKGZTRS-OAQYLSRUSA-N 466.567 2.148 30 10 JEEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1358941374 HUYXBGCDXFPDFR-HDICACEKSA-N 459.616 2.306 30 10 JEEE C#CCN(c1nnc(C(C)C)n1Cc1cc(OC)c(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1358955000 CABDZSPKCNFPNU-KRWDZBQOSA-N 462.572 2.102 30 10 JEEE C#CCN(c1nnc([C@H](C)OCCOC)n1Cc1coc2ccccc12)[C@H]1CCS(=O)(=O)C1 1358957398 UCAPTLNPCFHZGJ-HKUYNNGSSA-N 472.567 2.423 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@@](C)(O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1358967222 GFFKLBJHDRZCQN-VGOFRKELSA-N 464.563 2.030 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(S(C)(=O)=O)CC1 1359103013 IQXPLRYJBXPUMA-RXVVDRJESA-N 462.620 2.134 30 10 JEEE C=C(Cl)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1359143435 ZZUYZULLYQESHN-OAHLLOKOSA-N 476.940 2.237 30 10 JEEE C=C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCNS(=O)(=O)c2ccccc2)CC1 1359160475 VYOFDYDNUGQSKI-QFIPXVFZSA-N 461.588 2.065 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1359292239 LARFQLSIVUJXKT-LPHOPBHVSA-N 479.578 2.263 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@H]2CCCN2C[C@H]1C 1359329590 ODMJIXHHXRCWCZ-QZTJIDSGSA-N 475.615 2.236 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1359334887 TYWHNIWVFYJCHJ-LJQANCHMSA-N 492.671 2.113 30 10 JEEE CC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCCO[C@@H](C)C2)C1 1359417881 HCPPNDHQWRLYKA-WMZHIEFXSA-N 465.602 2.423 30 10 JEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2ccc(CC)c(S(C)(=O)=O)c2)c1 1434897055 XXLFRDUJZYWNNS-UHFFFAOYSA-N 454.548 2.139 30 10 JEEE CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3ccccc3O[C@H](C)C#N)cc2)CC1 1435646700 FGSCEEBXPNLAHU-MRXNPFEDSA-N 456.524 2.083 30 10 JEEE COc1ccc(Br)c(CS(=O)(=O)N2CCN(c3cnccc3C#N)CC2)c1 1475345433 GXCIJRILZAHSNE-UHFFFAOYSA-N 451.346 2.376 30 10 JEEE N#Cc1ccc(CN(c2nnc(C(=O)N3CCCC3)n2CC(=O)NCC(F)(F)F)C2CC2)cc1 1505315968 DLWMMUHQCZCARF-UHFFFAOYSA-N 475.475 2.233 30 10 JEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1507576129 KRCGFTOXSFQISW-UHFFFAOYSA-N 491.577 2.144 30 10 JEEE C#CCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1507577299 PNKXWFFXVDQUBX-UHFFFAOYSA-N 460.941 2.324 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H](C)N(C)C1CC1)[C@H]1CCS(=O)(=O)C1 1507628064 MWSRRQSGOZMGRD-XLIONFOSSA-N 487.626 2.072 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H](C(C)C)N1CCOCC1 1507710045 BVKOFBNPPKKGIV-REWPJTCUSA-N 469.586 2.233 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CC(=O)N(C)Cc2ccccc2)CC1 1507738972 JTHZKNKOXUHXRV-JOCHJYFZSA-N 478.597 2.144 30 10 JEEE C#CCSCCn1c(COc2ccccc2OC)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1507756879 NPLGHUXPCFCIDV-SJORKVTESA-N 457.556 2.167 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1507811227 ORZQFHOMNOKGQA-UGKGYDQZSA-N 454.575 2.221 30 10 JEEE C=CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(N2CCN(CC)CC2)nc1 1507987352 ZJEGKGDEJIQHAW-UNMCSNQZSA-N 455.607 2.210 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCOC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1508008334 NFPYMPHKYPWSSL-SJORKVTESA-N 451.618 2.318 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC(C(N)=O)CC1 1508129377 BUFUQZKLTAYJLR-SFHVURJKSA-N 475.615 2.337 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC[C@H](CN2CCCC[C@H]2C)C1 1508141506 VUEYUZBPEXVBHR-WOJBJXKFSA-N 473.647 2.427 30 10 JEEE C=CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@H](NC(C)=O)C1 1508155294 LJQYZRVRWHWSKV-KRWDZBQOSA-N 467.599 2.216 30 10 JEEE CC(=O)N1CCN([C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCCOC(F)F)C[C@@H]2C)CC1 1508273152 OPCMPIYLTXMBDJ-UWJYYQICSA-N 487.555 2.435 30 10 JEEE C[C@@H](Cn1c(-c2ccc(F)cc2Br)nnc1N1CCO[C@@H](C#N)C1)N1CCOCC1 1510023822 DDHFMGYSFILKBK-HOCLYGCPSA-N 479.354 2.296 30 10 JEEE CC[C@H](C)NC(=O)CCn1c(CN2CCCC2=O)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1513186998 BAKSZWKOQLCGQR-SFHVURJKSA-N 496.591 2.043 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3oc(C4CC4)nc3C#N)CC2)n1C[C@H](C)OC 1513392664 CCNBVOIIGCCLNS-HNNXBMFYSA-N 470.578 2.295 30 10 JEEE CC(=O)N1CCc2c(sc(NC(=O)CN3C(=O)N[C@@]4(CCCC(C)(C)C4)C3=O)c2C#N)C1 1529937650 ANLCGCGDCHNCOM-JOCHJYFZSA-N 457.556 2.354 30 10 JEEE CC(=O)N[C@@H](C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C)c1cccc(Br)c1 1535349535 GJAKAINMMQPTTN-SCLBCKFNSA-N 457.332 2.025 30 10 JEEE CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)OCc2ccc(C#N)cn2)c1 1537292831 HNCJMGHXQMKFKW-UHFFFAOYSA-N 458.540 2.177 30 10 JEEE C#CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1539045426 UFXTWLXQGDVIKY-SFHVURJKSA-N 463.991 2.288 30 10 JEEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1539120209 SKBKBWDFGUEWFU-MSOLQXFVSA-N 459.620 2.123 30 10 JEEE C#CCN(c1nnc(-c2cc(C)nc3ccccc23)n1CC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1539205959 LADPPALBXRDYOU-KRWDZBQOSA-N 453.568 2.199 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCCC(=O)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1539211923 QBMQJZWBGBFPBE-NRFANRHFSA-N 482.610 2.092 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCOC(F)F)[C@H]1CCS(=O)(=O)C1 1539229983 AQLQSKJOWBGDLD-GVDBMIGSSA-N 474.574 2.453 30 10 JEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@H](C)N(C)C(=O)OC(C)(C)C 1539408984 KPVYVZJKGXXRMP-INIZCTEOSA-N 474.562 2.347 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCCN1CCC(C)CC1 1539538483 JHDWOGWYMALCNS-DENIHFKCSA-N 450.653 2.393 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](NC(C)=O)C1 1539647064 VCVBNJWZIUXRJH-WFXMLNOXSA-N 472.615 2.356 30 10 JEEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1539758650 QFQZZYUJBCVOHF-IRXDYDNUSA-N 458.588 2.110 30 10 JEEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(c2nc(C)ns2)CC1 1539953593 SRQBZIFFWNWRGL-OAHLLOKOSA-N 468.653 2.121 30 10 JEEE C=CCCOCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1540039539 AOOIOTDICVGNGX-LJQANCHMSA-N 458.588 2.123 30 10 JEEE C=CCN(c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CC[C@H](CO)O1)C1CC1 1540107880 DXZKGZDIUWYEMU-OTWHNJEPSA-N 463.579 2.281 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(N(C)C)CCSC1 1540186577 DVJWZWOTKRDGCS-XMSQKQJNSA-N 479.672 2.446 30 10 JEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 1540872818 BGDPTYGGSUXEOI-UHFFFAOYSA-N 482.570 2.171 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2C[C@H](C)O[C@H](COC)C2)cc1 1540877555 ZAJDERWZEYPNOX-RXVVDRJESA-N 455.559 2.367 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N(C)[C@H](C)c1ccc([S@](C)=O)cc1 1540902863 SJNIMEJDRAORIP-DBDMJMDNSA-N 466.629 2.318 30 10 JEEE C[C@H]1C[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CC(=O)N2CCOCC2)C[C@@H](C)O1 1543651112 FXURPGRWWRRTCV-OPVJXMOQSA-N 452.559 2.315 30 10 JEEE CCC[C@@H](C)NC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)NC)C1 1546895594 BSZRKLYUPKNEGC-YLJYHZDGSA-N 451.575 2.474 30 10 JEEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H](C)COc2ccccc2OC)CCOC1 1547918810 HNEQUHAAMIWCCU-KHCICDEESA-N 471.558 2.383 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)N3CCC(c4ccc(S(N)(=O)=O)cc4)CC3)cc2C1=O 1558599058 CZUJBUUOCSLWPJ-UHFFFAOYSA-N 453.520 2.136 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccccc1OCC=C)[C@@H]1CCS(=O)(=O)C1 1588053380 DPHBTOUWCUDJEC-WOJBJXKFSA-N 456.568 2.022 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@H]1CN(CC(C)C)CCO1)[C@@H]1CCS(=O)(=O)C1 1588058751 BTGIAAKQPCMILQ-DNQXCXABSA-N 499.681 2.161 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CCCCN1CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1588064111 AQLGTIUGRCQWLT-FYYLOGMGSA-N 484.670 2.403 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@@H]1CCS(=O)(=O)C1 1588205659 QKPMTNZSLRYVLK-SFHVURJKSA-N 456.568 2.250 30 10 JEEE C#CCN(CC#CC)c1nnc(COc2ccccc2OC)n1CC(C)(C)N1CCOCC1 1588253944 KGFKIKWIOBNIAY-UHFFFAOYSA-N 451.571 2.439 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1CC[C@@]2(CCOC2)O1 1588574316 DESQYBSROFKSLM-YKSBVNFPSA-N 487.988 2.286 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCN(CCC)C1 1588629044 UZWIVIQATZAXEE-LJQANCHMSA-N 463.586 2.010 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2Cc2c(C)nn(C)c2C)CC1 1588763348 VOWXLGGZVJYZEK-UHFFFAOYSA-N 471.407 2.200 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@](C)(O)CCC)CC1 1588876622 DDEBUUFYIQBWLK-YDIMBITNSA-N 460.623 2.355 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2C[C@H]2CN(Cc3ccccc3)CCO2)CC1 1588885622 XXNCZTBZWXQQMS-HSZRJFAPSA-N 478.641 2.442 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2ccc(F)cc2F)CC1 1588892153 YBZIGYAHWKFGNO-MRXNPFEDSA-N 461.513 2.294 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H](OC)C2CC2)CC1 1588899634 UBVHLIIVBCTYGU-QFIPXVFZSA-N 467.570 2.353 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccc(F)cc2)nnc1N(C)CC(=O)N1CCOCC1 1589546168 PRZBDAVLVJKFEU-WMZHIEFXSA-N 457.550 2.284 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1595577192 LDSINMUOTJGKAJ-KSFYIVLOSA-N 461.950 2.197 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](C[C@H]2CCOC2)C1 1595761292 ZGOFSZJNBRBUGB-RBUKOAKNSA-N 488.614 2.169 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](CCc2ccccc2)C1 1595798177 NABUDJHGDLEIMZ-NHCUHLMSSA-N 460.600 2.221 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCC=C(Br)C1 1595812036 LHWQVGCJBLGJLI-UHFFFAOYSA-N 452.378 2.354 30 10 JEEE C=CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(C(=O)NC)CC1 1595871362 OUHIHTPKTRLNQK-UHFFFAOYSA-N 477.660 2.120 30 10 JEEE CCN1CCN([C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)CC1 1615836872 AAKVEWJGUZWOQU-VAMGGRTRSA-N 487.674 2.101 30 10 JEEE CO[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1)C(C)C 1618976693 GVOGIKLLXLRVIQ-UYAOXDASSA-N 460.604 2.253 30 10 JEEE CS(=O)(=O)NC[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCS2)C1 1620173280 CSKPXPPQRFPSSJ-QUCCMNQESA-N 490.655 2.390 30 10 JEEE CC(=O)N1CCN(Cc2ccccc2NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CC1 1625379409 HNINZQOKCWAXOY-UHFFFAOYSA-N 458.515 2.039 30 10 JEEE C#Cc1ccc(C(=O)N2CC[C@@H]3[C@H](C2)NC(=O)N3C2CCN(C(=O)OC(C)(C)C)CC2)nc1 1626484732 RRRMQQFTNMSZTG-VQTJNVASSA-N 453.543 2.071 30 10 JEEE CC(C)[C@H](CCN(C)C(=O)CNS(=O)(=O)c1ccc(C#N)cc1)NC(=O)OC(C)(C)C 1628972508 CSCZVDLLLSQBFV-SFHVURJKSA-N 452.577 2.234 30 10 JEEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N2CC(CO)(CO)C2)c1 1645107179 CCDRXQFMXPVGTD-UHFFFAOYSA-N 450.944 2.148 30 10 JEEE C#CCCCCn1c(CCc2ccc(OC)cc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1689900090 ABSNQNRUSURBPR-UHFFFAOYSA-N 464.570 2.396 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@]1(O)CCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1689982717 SMIOVRZHONQEEP-AKCHCHLHSA-N 496.431 2.214 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCCCN1CC)[C@@H]1CCS(=O)(=O)C1 1689983430 BKXBMZPGRWOQCH-RTBURBONSA-N 477.034 2.495 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@@H]1CCCN1CCC)[C@H]1CCS(=O)(=O)C1 1689997153 WRZMFARIBGBTGS-PMACEKPBSA-N 489.617 2.497 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccccc2OCC(F)(F)F)CC1 1690110752 YMHRXAALXXQDGM-UHFFFAOYSA-N 464.492 2.161 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H]2CCCCN2CCC)CC1 1690146633 SMOFMDSUGNNSFD-FCHUYYIVSA-N 456.635 2.402 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2Cc2ccc(N(C)C)c(F)c2)CC1 1690150247 AIUBXBBJBZIMTM-UHFFFAOYSA-N 475.572 2.483 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 1690237401 YLAHUQFVSARTMU-AABGKKOBSA-N 469.652 2.260 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccc2OC)nnc1N1CCN(CC(=O)NCC)CC1 1690244518 YKWHRKBUNZRWKV-AUSIDOKSSA-N 468.602 2.193 30 10 JEEE C=C(C)COCCn1c(-c2ccc(Br)s2)nnc1N1CCN(S(C)(=O)=O)CC1 1690304949 SBIKWKVNVXXNQO-UHFFFAOYSA-N 490.449 2.443 30 10 JEEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)CNC(=O)OC(C)(C)C)C1CC1 1690545684 WPYBYTNJBJCBOV-JKSUJKDBSA-N 453.609 2.496 30 10 JEEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cc2c(cc1OC(F)F)OCO2 1690627569 DSKBQDWOGIJIDL-LLVKDONJSA-N 459.475 2.041 30 10 JEEE C=CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@](C)(C(=O)NC)C1 1690747190 VQXUHCXODKYKIO-UZUQRXQVSA-N 494.662 2.468 30 10 JEEE C=CCSCCn1c(COc2ccc(Br)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1690750257 DXPWYVSIKHQBJI-KRWDZBQOSA-N 496.431 2.490 30 10 JEEE COC[C@@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1697736371 DMXHLTDGYZWVSA-FQEVSTJZSA-N 465.602 2.234 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H](C)CN1CCN(CC)CC1 1705491002 VQXJYWDIJCJHNR-RTWAWAEBSA-N 490.656 2.406 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCCN1CCOCC1 1705494748 FGKWHKXHULNQCX-PMACEKPBSA-N 476.622 2.157 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H](C)Oc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1705565155 GRQCJMSNEIWWOI-KZNAEPCWSA-N 462.547 2.015 30 10 JEEE C#CCN(c1nnc(CC)n1C[C@@H](c1c(F)cccc1F)N(C)C)[C@@H]1CCS(=O)(=O)C1 1705570588 OWFHCVUYTVAAFY-QAPCUYQASA-N 451.543 2.048 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1cccc(CN(C)C)c1)[C@H]1CCS(=O)(=O)C1 1705571395 YRPAKEIKNHNZLQ-QHCPKHFHSA-N 478.622 2.001 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCNC(=O)C(C)(C)C 1705622164 ZFKGLHRQPCBZSE-UHFFFAOYSA-N 454.575 2.396 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1CCc1cccc(C(N)=O)c1 1705622831 WJDJQUWWXPQAHD-UHFFFAOYSA-N 471.359 2.463 30 10 JEEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2Cc2ccc(OC)nc2OC)CC1 1705641584 LHMVQOAVMJFBTN-UHFFFAOYSA-N 462.554 2.115 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc3c(c2)OCO3)n1CCCN(CC)S(C)(=O)=O 1705671469 LJFPSDILZJEMTA-JOCHJYFZSA-N 459.572 2.338 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C(CC)CC)N1CCOCC1 1705675028 VOEMLDDPESRTBG-PQNGQFLHSA-N 477.675 2.309 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1705706570 WXTPOXOOFNKDQH-ZJOUEHCJSA-N 462.620 2.134 30 10 JEEE C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1705746986 CERDAHDGVXYEDL-UHFFFAOYSA-N 469.893 2.308 30 10 JEEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1705825137 KTDPHDKHJPHQQF-UHFFFAOYSA-N 458.538 2.111 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1705898544 OYICHEDZRRMCFM-KRWDZBQOSA-N 465.558 2.067 30 10 JEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCN(Cc2ccc(OC)c(F)c2)CC1 1705905878 KJNFBJCNWQJKQW-UHFFFAOYSA-N 499.616 2.406 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCC(N2CCCC2=O)CC1 1705931363 NSDODOSTYPHEJV-UHFFFAOYSA-N 473.599 2.146 30 10 JEEE C=CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1705944697 OZUAHWQADKFRIL-SFHVURJKSA-N 451.556 2.209 30 10 JEEE CCN1CCN([C@@H](C)Cn2c(COc3ccccc3OC)nnc2N2CC[C@](F)(C#N)C2)CC1 1710269961 GLJGTFQZCWVRJD-CYFREDJKSA-N 471.581 2.334 30 10 JEEE COCC1(Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3nccnc3C#N)C[C@H]2C)CCCCC1 1712196062 APEPVPOVEYBJFK-LJQANCHMSA-N 495.632 2.390 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OCC)CCOC3)n2Cc2cc(C)no2)c1 1722304761 GCLANXFKLLDGHB-XMMPIXPASA-N 464.526 2.331 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C)[C@H]1CCS(=O)(=O)C1 1722370184 AEFSHBVDZWQLHE-RBUKOAKNSA-N 479.647 2.407 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1722375149 LHHLCPGXCGOILP-FQEVSTJZSA-N 471.525 2.427 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2Cc2cccnc2OCC)CC1 1722449630 WKLMTYXRGXEBSK-UHFFFAOYSA-N 459.554 2.072 30 10 JEEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC=C(Br)C1 1722479253 GYWQKDREZUPIPR-SNVBAGLBSA-N 469.203 2.286 30 10 JEEE C=C(Cl)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1722546183 VVWDYDWIHGEEDI-OXJNMPFZSA-N 495.049 2.105 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 1722697887 QEJVUWXRDYIKLQ-KRWDZBQOSA-N 457.579 2.327 30 10 JEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)Cc2ccccc2C)CC1 1722700222 AXHMDFVIGBKZNG-UHFFFAOYSA-N 493.637 2.136 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(OCC(F)(F)F)nc2)C1 1722712959 CDZTUZMOQVQOML-HOTGVXAUSA-N 466.464 2.395 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCC[C@@H](n2cncn2)C1 1722729796 XPGYCUOBZABRIY-GOSISDBHSA-N 459.551 2.042 30 10 JEEE CC[C@H](C)N(C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1727078529 FPVRJKGZEVTSAX-PXNSSMCTSA-N 468.581 2.297 30 10 JEEE CCn1cc([C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CC(C)(C)C(=O)NC)CCO2)cn1 1728529609 FTCKDLUXABDNPF-FQEVSTJZSA-N 462.558 2.383 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1CCN1CCCS1(=O)=O 1740535076 NMRVQSVMGGQPBY-ZWKOTPCHSA-N 461.588 2.310 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H]1CCC[C@@H]1OC)[C@@H]1CCS(=O)(=O)C1 1740620746 RFPXWGIWKQEAFE-UEXGIBASSA-N 488.610 2.404 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@@H](c1ccco1)N(C)C)[C@H]1CCS(=O)(=O)C1 1740624351 FQAMRRRXVIOZTA-OALUTQOASA-N 488.639 2.156 30 10 JEEE C#CCN(c1nnc(COc2ccccc2CC)n1Cc1nnc(C)s1)[C@H]1CCS(=O)(=O)C1 1740628245 OQZCFYMNHRANEJ-SFHVURJKSA-N 486.623 2.254 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(Br)c2)n1CC1(O)CCS(=O)(=O)CC1 1740663597 NHHSIUJACPAYLV-UHFFFAOYSA-N 467.389 2.107 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1CC1([S@](C)=O)CC1 1740680880 QSCADRPLOVENGF-MHZLTWQESA-N 454.394 2.043 30 10 JEEE C#CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1740714354 VXRSWTUJNNDYPQ-UHFFFAOYSA-N 491.639 2.291 30 10 JEEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1740714701 HXRUNIFNCDWWNI-PMACEKPBSA-N 469.659 2.266 30 10 JEEE C=C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC[C@@H](C(F)F)N2CCOCC2)CC1 1740817786 TWDIISLCCSBIJG-KRWDZBQOSA-N 461.517 2.438 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1740989408 MEMCZKVURKHBDW-TZIWHRDSSA-N 459.616 2.011 30 10 JEEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC2CCOCC2)CC1 1740996109 GHZTVKFDVYHLDR-UHFFFAOYSA-N 471.631 2.393 30 10 JEEE C=CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1740997526 WAUXEAAMTLRMIJ-SFHVURJKSA-N 490.655 2.308 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1Cc1ccnc(OCC(F)(F)F)c1 1741904098 IEKGEIVKPKDULK-CHWSQXEVSA-N 475.497 2.011 30 10 JEEE C[C@@H]1CCCCN1CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)C1 1743062678 GVURYLGZYNVVPJ-LJQANCHMSA-N 451.575 2.272 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc(C)o3)n2CCNC(=O)c2cc[nH]n2)c1 1748691441 FJIOZPMUMOHREL-UHFFFAOYSA-N 472.509 2.056 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1CCN1CCOC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1748809921 QXSGNOBOFMVFCL-AEFFLSMTSA-N 496.008 2.085 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@H](c1ccco1)N(C)C)[C@H]1CCS(=O)(=O)C1 1748815987 VGBRUVPLDXNRLH-AZUAARDMSA-N 468.583 2.171 30 10 JEEE C#CCN(c1nnc(CSc2ccccc2OC)n1C[C@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1748824254 MNASVUZYAVCOJO-DLBZAZTESA-N 464.613 2.241 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)s3)n2CC(=O)NC(C)C)CC1 1748979954 UQOPXDLUHOJTJT-UHFFFAOYSA-N 451.394 2.049 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1749101785 GJWPQBPHAJKCJO-GOSISDBHSA-N 481.439 2.215 30 10 JEEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(n2cc(Cl)cn2)CC1 1749214329 XKKCZDICWBFLML-OAHLLOKOSA-N 472.015 2.172 30 10 JEEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1749234900 KTIADWZKJGPMGW-RTBURBONSA-N 474.631 2.019 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC(O)(c2c(F)cccc2F)CC1 1749676591 WAWTUEBDHSXSLO-UHFFFAOYSA-N 468.508 2.332 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)(C)C)n2CCNC(=O)c2cc[nH]n2)c1 1760128228 CAYPZRWJEWMDQL-UHFFFAOYSA-N 462.558 2.076 30 10 JEEE C#CCCCn1c([C@H]2CCCOC2)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 1760162393 SFCYUEXNZQOPCE-FQEVSTJZSA-N 457.600 2.487 30 10 JEEE C#CCN(c1nnc(C(C)C)n1C[C@@](O)(c1ccccc1)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1760182291 HVTXSLGXYOFLNE-YLJYHZDGSA-N 470.517 2.478 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC[S@](=O)CC)CC1 1760270670 VNXGHDHDODMSRU-WJOKGBTCSA-N 462.019 2.257 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1CC[C@@H](C(F)F)N1CCOCC1 1760288057 ONMRJBWDYUPGON-GAJHUEQPSA-N 473.528 2.274 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC(=O)NC 1760503174 BKIXDONKKHIXHB-KRWDZBQOSA-N 450.584 2.168 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1760514375 CTOVVVGKTZEBBS-FQEVSTJZSA-N 495.628 2.438 30 10 JEEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@](C)(OC)CC1 1760524105 PLSSOEOZVDIJTQ-DEOSSOPVSA-N 468.606 2.150 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2Cc2cnn(C)c2)C1 1760535419 QQCSOMSSILHSFI-IBGZPJMESA-N 455.950 2.425 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1 1760548458 GXYKBTYDSACRFC-KRWDZBQOSA-N 491.618 2.005 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCN(c2cccc(O)c2)CC1 1760553608 FTDCWWKJNGTUFF-UHFFFAOYSA-N 468.583 2.282 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)Cc1ccccn1 1760554031 PBVYNTSYMZHQHY-UHFFFAOYSA-N 465.539 2.226 30 10 JEEE CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](OC)C2CC2)CC1 1762054303 FSFXVADFHYCPPA-GCJKJVERSA-N 465.602 2.278 30 10 JEEE Cc1nc(CCn2c(-c3cccc(C#N)c3)nnc2N2CCCN(S(C)(=O)=O)CC2)cs1 1762310577 BQTHGKYQGBLKNA-UHFFFAOYSA-N 471.612 2.296 30 10 JEEE CCCNC(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1764548203 DLZPPWVRGWAIOA-LJQANCHMSA-N 452.563 2.029 30 10 JEEE COc1ccc(Br)c(-c2nnc(N(C)C[C@H](C)C#N)n2CC(=O)N2CCOCC2)c1 1768406228 GCSRWMBFAKKJBG-CQSZACIVSA-N 477.363 2.171 30 10 JEEE CSCC[C@@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)ON1C(=O)c2ccccc2C1=O 1772791680 XAWDCNUWNSREHO-QIXNEVBVSA-N 460.533 2.453 30 10 JEEE C=CCN(CC=C)C(=O)[C@@H](Cc1ccc(OC(C)=O)cc1)NC(=O)[C@H]1CC(=O)N(C(C)C)C1 1862187807 WVNZXVHGXBWTIC-RBBKRZOGSA-N 455.555 2.097 30 10 JEEE C=CCOc1ccccc1[C@@H]1C(C(=O)N2CCN(C)CC2)=C(N)Oc2c1c(CCC)nn2C 1865225166 UNOZKPNUAPFTOH-FQEVSTJZSA-N 451.571 2.406 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCCCO)cn1C[C@H](O)c1ccc(Cl)cc1 1870358629 FSHLVRVOJCTRJP-QHCPKHFHSA-N 490.000 2.287 30 10 JEEE C=CCN(CC=C)c1nc(=NCc2ccc(S(N)(=O)=O)cc2)[nH]c(=Nc2ccc3cc[nH]c3c2)[nH]1 1871588377 CJSQWGNHVYTPBL-UHFFFAOYSA-N 490.593 2.378 30 10 JEEE COc1ccc(OCCCc2nnc(SCC(N)=O)n2/N=C/c2cccc(OC)c2O)cc1 1874220055 RZGVWXCMJCPZOP-ZMOGYAJESA-N 471.539 2.472 30 10 JEEE COc1ccc(/C=N/n2c(CNC(C)=O)nnc2SCC(=O)Nc2nccs2)cc1OC 1874433298 JMTBGFRTWIVVJD-LSFURLLWSA-N 475.556 2.001 30 10 JEEE COc1cc(Br)cc(/C=N/n2c(SCC(N)=O)nnc2C(F)(F)F)c1O 1874460359 UHEIREUUHHVXCL-RMOCHZDMSA-N 454.228 2.233 30 10 JEEE O=C(NCC#CCN1CCc2ccccc2C1)[C@H]1CCCN1S(=O)(=O)c1ccccc1F 1891414632 RWPIMINFGNCBOK-JOCHJYFZSA-N 455.555 2.157 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N[C@@H]2CCOC[C@H]2NC(=O)OCc2ccccc2)C1 2247564427 HXFJZMCSUXUIBL-NVEWBURRSA-N 471.554 2.493 30 10 JEEE CN(CC1CN(C(=O)OCc2ccccc2)C1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2247828455 NXZWHSFVMKMTJA-UHFFFAOYSA-N 454.336 2.050 30 10 JEEE CO[C@@H]1CN(C(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C[C@H]1NC(=O)OC(C)(C)C 2255878754 DUNHCNHCVILRJQ-HUUCEWRRSA-N 452.382 2.411 30 10 JEEE CC[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 2256639665 DUEUJYHGWCRFQF-STQMWFEESA-N 452.386 2.233 30 10 JEEE CC(C)(C)OC(=O)N1[C@@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)CCC12CC2 2256676683 YSQKVMPMONIYMV-GFCCVEGCSA-N 450.370 2.130 30 10 JEEE Cc1c(C(=O)NCC[C@@H](C)N(C)C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267146314 KDZXDLNWRFDKPC-CQSZACIVSA-N 450.389 2.403 30 10 JEEE CC1(C)OB(c2ccsc2S(=O)(=O)NC[C@@H]2COCCN2Cc2ccccc2)OC1(C)C 2267369816 BTTGRXYGXTXGDL-GOSISDBHSA-N 478.445 2.227 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@H](NC(=O)C(F)(F)F)C[C@@H]1C 2267521198 ROZKLLBBISHBNK-JQWIXIFHSA-N 461.315 2.422 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)CCO1 2267556670 GUPXKNPMKSFMFO-LSDHHAIUSA-N 450.341 2.381 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)O 2268652153 SABUKXQHSILTER-GUYCJALGSA-N 450.341 2.207 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1C[C@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2 2282003596 DGQOUYDUPWIQAQ-ARFHVFGLSA-N 460.384 2.155 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCOC[C@H]1OCc1ccccc1 2282014246 OTZKAGUPMMROPM-WOJBJXKFSA-N 455.364 2.306 30 10 JEEE CO[C@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)[C@H](CNC(=O)OC(C)(C)C)C1 2282192822 COCHBOJUFWLZKE-IRXDYDNUSA-N 463.384 2.458 30 10 JEEE CN(Cc1ccccc1)[C@H]1CCCN(S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)C1 2282426042 XGWILHSAPNRVQA-IBGZPJMESA-N 474.436 2.004 30 10 JEEE Cn1nc(C(=O)NC[C@@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2282624962 PBYMWEUECGNGLE-ZDUSSCGKSA-N 470.326 2.094 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@]2(NS(=O)(=O)c3cncc(B4OC(C)(C)C(C)(C)O4)c3)C[C@H]2C1 2282832470 PPMHRRQKTMNHSF-OYHNWAKOSA-N 479.408 2.059 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CC[C@H]2NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2283062087 RCHKEQKXRDKJQX-ARFHVFGLSA-N 458.368 2.151 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@@]2(C(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)C1 2283959317 KXFRBSFTAJLBMF-WNSKOXEYSA-N 459.352 2.345 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](C(F)(F)F)[C@@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2283967254 ANPPJDKJKNPYJJ-WDEREUQCSA-N 492.329 2.243 30 10 JEEE CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1nscc1B1OC(C)(C)C(C)(C)O1 2283970080 SMYUCSAXADHSTH-DOMZBBRYSA-N 483.396 2.076 30 10 JEEE CSC1(C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)CN(C(=O)OC(C)(C)C)C1 2315347165 NYYVZUYMBCCJQP-UHFFFAOYSA-N 469.438 2.411 30 10 JEEE CN(C(=O)c1csnc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1F 2320556387 UQELXEOKAQPMHL-ZIAGYGMSSA-N 455.361 2.472 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C1 2362351564 HCQOWGUIWWEZFU-HZPDHXFCSA-N 460.384 2.191 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1CCCCN(C(=O)OC(C)(C)C)C1 2362354860 WTGPJDOMIKLQGI-INIZCTEOSA-N 462.400 2.486 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)[C@@H](C)n3cnc4sc(C(N)=O)c(C)c4c3=O)cc21 19978286 OTYZDLQOHDOOSY-GFCCVEGCSA-N 452.492 2.221 30 10 JEEE Cc1nn(C(C)C)c(C)c1/C=N/Nc1nnc(SCC(=O)Nc2ccc3c(c2)OCCO3)n1N 20805384 NVZUJGWNFCTFHX-AUEPDCJTSA-N 485.574 2.334 30 10 JEEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)CC1 33233798 ODMBRYPKYUIHDR-UHFFFAOYSA-N 476.986 2.201 30 10 JEEE C=CCn1nc(C)c(/C=N/Nc2nnc(SCC(=O)Nc3cc(OC)cc(OC)c3)n2N)c1C 59829898 HKJQFBCTEDGMOU-FOKLQQMPSA-N 485.574 2.185 30 10 JEEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cccc(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 521103767 OBRVFEINAXPHQE-UHFFFAOYSA-N 486.550 2.276 30 10 JEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CSC[C@@H]3C(=O)Nc3ccccc3)CC2)cc1 608957936 YITZRPREEKLIAE-OAQYLSRUSA-N 484.603 2.499 30 10 JEEE COc1ccc(S(=O)(=O)N2CCC(CNC(=O)c3ccc(C#N)c(C)n3)CC2)cc1OC 1126119617 IDHJTMFTHYILOG-UHFFFAOYSA-N 458.540 2.110 30 10 JEEE COc1cc([C@@H](C)NCC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)ccc1OCCO 1168611276 AKUFRDSDVRZHFZ-MJGOQNOKSA-N 458.584 2.187 30 10 JEEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)cc1 1214912154 OGJJARRXADBELP-UHFFFAOYSA-N 452.515 2.200 30 10 JEEE C#CCN(c1nnc([C@@H](C)OCCOC)n1Cc1ccc(Cl)cc1F)[C@@H]1CCS(=O)(=O)C1 1286383706 DRHYTFDFEWXQNY-CRAIPNDOSA-N 484.981 2.470 30 10 JEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](C)CN1CCCC1 1286409156 PBNSGCASWDSCFL-IBGZPJMESA-N 453.616 2.043 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC2(N(C)C)CCOCC2)CC1 1286471582 MCZUMZQGTZAONN-FQEVSTJZSA-N 470.593 2.423 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCCCN2C[C@H](C)C[C@@H](C)C2)CC1 1286490138 MEDXTCWXPICBRH-NHCUHLMSSA-N 480.661 2.403 30 10 JEEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1286506558 JOVSDZCEJGIZNY-GOSISDBHSA-N 493.630 2.189 30 10 JEEE C=CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)CCN1CCOCC1 1286695227 RJXCXDHUZDFTTR-UHFFFAOYSA-N 461.636 2.281 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@](O)(Cc2cccc(Cl)c2)C1 1286787584 HGPJGKVGJPDFBT-JPYJTQIMSA-N 459.978 2.312 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC(CCCN2CCOCC2)CC1 1286788016 OLCHYCKFPSPMIB-OAQYLSRUSA-N 460.623 2.151 30 10 JEEE C=CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(CC(=O)NC(C)C)CC1 1286827624 VBJTXVANZHJVCL-UHFFFAOYSA-N 472.615 2.240 30 10 JEEE CCC[C@@H](C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC2(CC1)CNC(=O)C2 1293849318 AUILXHKDFGXTCL-GOSISDBHSA-N 463.586 2.476 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1Cc1cccc(OCC(C)C)c1)[C@@H]1CCS(=O)(=O)C1 1300492339 MZUBZYDHONFKKV-HXUWFJFHSA-N 480.594 2.445 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1Cc1csc(COC)n1)[C@@H]1CCS(=O)(=O)C1 1300497717 CLPSMCIIFBFEMF-LJQANCHMSA-N 489.598 2.286 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1Cc1c(CC)nn(C)c1CC)[C@@H]1CCS(=O)(=O)C1 1300502249 RNDKUKIWNTVBRD-GOSISDBHSA-N 486.667 2.464 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCCN1CCCC[C@H]1C 1300805887 KKHZKRSZERXKGV-PQNGQFLHSA-N 492.690 2.258 30 10 JEEE C=C(C)COCCn1c(N2CCN(C3CCOCC3)C[C@@H]2C)nnc1[C@@]1(OCC)CCOC1 1301001746 MRUJQVGVGUMGDG-GBXCKJPGSA-N 463.623 2.212 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)Cc1cnccn1 1301500897 QPSSNEVJWYHQES-KRWDZBQOSA-N 470.578 2.121 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1301593601 QPDLRHXFBUTHKY-QHCPKHFHSA-N 494.589 2.371 30 10 JEEE CC(F)(F)c1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@](F)(C#N)C2)cc1 1303782039 BVXTWVVQJNUAEN-UWJYYQICSA-N 498.531 2.213 30 10 JEEE CCN(CC)C(=O)c1ccc(Cn2c(C)nnc2N2CCN(c3nccnc3C#N)C[C@@H]2C)cc1 1313633927 GRPHBJHPFVCMIW-SFHVURJKSA-N 473.585 2.494 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CC1(O)CCN(C(C)C)CC1)[C@H]1CCS(=O)(=O)C1 1358958809 WGUREZKCFGASHJ-QHCPKHFHSA-N 499.681 2.370 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1CC1CN(C(=O)OC(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1358963674 MIXHYJGHUDDMKR-GOSISDBHSA-N 479.647 2.360 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1CCNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1358965341 SNLDSJWXEQQAPR-HXUWFJFHSA-N 487.626 2.329 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCSC(F)(F)F)CC1 1359037981 GDPOYOGHYLFSPU-UHFFFAOYSA-N 458.535 2.278 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCNC(=O)C(C)(C)C)CC1 1359038660 DYUJPRXNCYTMRE-UHFFFAOYSA-N 458.994 2.428 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2Cc2nnc(C)s2)CC1 1359042385 DIFNGJVOXUQKHP-UHFFFAOYSA-N 481.582 2.136 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCNC(=O)c2ccc(C)cc2)CC1 1359044501 HRSAUPSENIEMOB-QFIPXVFZSA-N 478.597 2.224 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(NS(C)(=O)=O)CC1 1359094870 GWGCTOLKVTYWFX-FPOVZHCZSA-N 470.599 2.316 30 10 JEEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1359283453 RMCJJRDVOKIALS-HRCADAONSA-N 456.613 2.204 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 1359291257 JQWZUZFRPNGDCL-KRWDZBQOSA-N 480.491 2.315 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC(Oc2cncc(Cl)n2)CC1 1359302447 HTJAKDLQJCOHCE-UHFFFAOYSA-N 468.949 2.057 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCN(CC)[C@H](C)C1 1359330915 GXLVPONASZGWKY-LJQANCHMSA-N 469.615 2.262 30 10 JEEE C=CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1359343183 NQGWGPRQQHQICK-LJQANCHMSA-N 491.687 2.385 30 10 JEEE C[C@H](C#N)CN(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccnc(-n2cccn2)c1 1359476293 AZDWAFSIYUGFIH-MRXNPFEDSA-N 461.555 2.494 30 10 JEEE C#CCNC(=O)CN1CCCN(C(=O)c2ccccc2NC(=O)c2ccc(Cl)cc2)CC1 1443357594 QBNLOQMVHOMGKJ-UHFFFAOYSA-N 452.942 2.490 30 10 JEEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCCN(Cc3ccc(OC)cc3)C(=O)C2)c1 1475168187 RWZQVWKTEKWJKW-UHFFFAOYSA-N 457.552 2.034 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1Cc2ccc(Br)cc2C1 1507589355 WDUNUCKSJCNZFI-GOSISDBHSA-N 494.415 2.307 30 10 JEEE C#CCN(c1nnc(-c2ccc(OCC)c(OC)c2)n1CCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1507627063 CIFBFSOOYYMOEB-HXUWFJFHSA-N 498.609 2.184 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1Cc1ccc(OCC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1507627588 DYMMUISBXHPQAT-LJQANCHMSA-N 483.594 2.366 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@@](C)(OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1507628117 NEXVOJXZBRCTMA-LAUBAEHRSA-N 463.991 2.435 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1CCc1ccc(C)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1507629766 PSNYSJKGXHFPAS-FQEVSTJZSA-N 467.595 2.470 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H](C)Oc1ccccc1)[C@H]1CCS(=O)(=O)C1 1507634545 YWCXUVLHJPPZOW-ZCNNSNEGSA-N 458.584 2.266 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCc1cnn(C)n1 1507711150 OYNRNISTHQTELA-IBGZPJMESA-N 486.621 2.240 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@](C)(O)c2ccc(F)cc2)CC1 1507740909 QRSTYZODAPWYTA-SANMLTNESA-N 493.587 2.152 30 10 JEEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)c1ccccc1 1507752007 TWCNDZDAHUMTLF-ICSRJNTNSA-N 477.656 2.217 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C/C=C/c1ccccc1 1507773029 OPRCGDINSOZNSV-VBZIPENFSA-N 455.584 2.317 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1coc(-c2ccccc2)n1 1508019338 KWBRIAZTNUZUEQ-HXUWFJFHSA-N 484.582 2.493 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1c(F)cc(F)c(F)c1F 1508037324 AWQKUQVPICCSEM-LBPRGKRZSA-N 462.469 2.424 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1NC(=O)CC1(C)C 1508038246 HCRBVUKDOQJUIG-MSOLQXFVSA-N 492.621 2.140 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1508079533 YFSBBGLSAUDVON-PKOBYXMFSA-N 471.514 2.159 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@](C)(C(=O)NC)C1 1508092815 RITYUAXYWOTOFG-VWLOTQADSA-N 468.602 2.419 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC([C@@H](O)c2ccc(F)cc2)CC1 1508139448 GXIBPVALAARXJK-NRFANRHFSA-N 486.573 2.425 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCC[C@@H](NC(C)=O)C2)nnc1C1(c2ccccc2)CCC1 1508149253 RVHMHNDPTMJJDP-OAQYLSRUSA-N 471.627 2.454 30 10 JEEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@](O)(c2ccc(F)cc2)C1 1508152153 IZRRPDXYYQQDBP-MGPUTAFESA-N 469.608 2.045 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2ccc(C(=O)OC)c(C(=O)OC)c2)ccc1F 1524232857 LWODPQOVQAEBNO-UHFFFAOYSA-N 450.444 2.116 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@@H](C)c1nc(C)cs1)[C@H]1CCS(=O)(=O)C1 1539203172 NZAXUDVYCVBXCY-QAPCUYQASA-N 492.671 2.392 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc3ccccc3n2)n1CCCN(C)S(=O)(=O)CC 1539251941 SCGSRNIBYPSEFK-UHFFFAOYSA-N 450.568 2.238 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc2c(cc1OC)C[C@H](C)O2 1539323150 DDHVBHPYOCXGLZ-ZWKOTPCHSA-N 468.579 2.023 30 10 JEEE C#CCN1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2C[C@@H](OC)[C@@H](C)CC)CC1 1539430752 NEOBHPGDIGRGBX-AZUAARDMSA-N 487.674 2.363 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccc(OC(F)F)cc2)CC1 1539430934 PAYCUOKPVATWTC-QHCPKHFHSA-N 461.513 2.335 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ccc(C(N)=O)nc1 1539655475 MOGABCHAARJRHY-UHFFFAOYSA-N 483.598 2.140 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(c2nccs2)CC1 1539704823 JEVIAMFNSNZIJB-MRXNPFEDSA-N 452.606 2.028 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC(Oc2ccc(F)cc2F)CC1 1540868877 VEAURERIMQOJEO-UHFFFAOYSA-N 455.469 2.363 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCN(Cc2ccccc2C)CC1 1540904179 JUGDGRFWFWMHIE-UHFFFAOYSA-N 480.638 2.495 30 10 JEEE Cc1cccc(-c2nnc(N3CCN(c4nccnc4C#N)C[C@@H]3C)n2CCNC(=O)C(C)(C)C)n1 1542628278 CMBAEPYZVPUANV-SFHVURJKSA-N 488.600 2.188 30 10 JEEE COCCNC(=O)[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CC12CCN(C(=O)CCOC)CC2 1548379207 IPAWVJIOMSNPJX-FQEVSTJZSA-N 496.530 2.421 30 10 JEEE N#Cc1ccc(CS(=O)(=O)CC(=O)N(CCO)Cc2ccc(Br)s2)cc1 1556482372 BAQBNZAXPPWRRI-UHFFFAOYSA-N 457.371 2.318 30 10 JEEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCO[C@](COC)(C(=O)OC(C)(C)C)C3)n[nH]2)c1C 1586283640 NYSAPRIHDHMWIP-HSZRJFAPSA-N 459.547 2.275 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1ccc(C(N)=O)cc1 1587569142 VFWRMCBUAWBPMF-OAHLLOKOSA-N 465.583 2.152 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(N2CCOCC2)nc1 1588185137 CDKMBPSZSGTMJM-AREMUKBSSA-N 478.597 2.062 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc3cccnc23)n1CCCNS(=O)(=O)CC 1588205749 UHQMASQPUKUMMB-UHFFFAOYSA-N 450.568 2.286 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1CC1(N2CCSCC2)CCCCC1 1588223672 BWEGHIRVHDWADD-HXUWFJFHSA-N 454.644 2.444 30 10 JEEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 1588265904 JXIHSTYUXMMGDH-IAGOWNOFSA-N 480.635 2.137 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(C(N)=O)cc1 1588399002 LFVJVMBFJCPCAM-IBGZPJMESA-N 468.558 2.193 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1oc(CC)nc1C 1588595609 WUPBSOJCVBHEOI-UHFFFAOYSA-N 457.556 2.342 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccccn2)n1C[C@@H]1C[C@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1588620313 SZHFFBIBBBODDZ-IRFCIJBXSA-N 482.585 2.451 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H](C)CN1CCCCC1 1588628047 CXOINEMZPHEVAV-FQEVSTJZSA-N 477.613 2.400 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2Cc2ccc(NC(C)=O)nc2)CC1 1588923911 QFIQPEBLPRTNCT-UHFFFAOYSA-N 472.553 2.016 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OC)n2C[C@H]2CC(F)(F)CO2)CC1 1588968969 SXOXGCDXXNDAHA-GOSISDBHSA-N 489.523 2.256 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CC(=O)NC(C)C 1589503900 FTFGMLZSEWZNSX-WIYYLYMNSA-N 475.615 2.291 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C2CC2)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 1589530599 WWKVZIBUTXWDPW-UXHICEINSA-N 467.636 2.014 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1nccc(C(F)(F)F)n1 1589600305 ZZKGSRGXXBGIEE-ZDUSSCGKSA-N 461.514 2.342 30 10 JEEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](C(N)=O)C1 1593884139 CSIIANGWEPONCA-GJZGRUSLSA-N 454.959 2.041 30 10 JEEE C=CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC1 1594182194 UTKMUUJMZDSUOZ-HXUWFJFHSA-N 480.617 2.271 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1595466101 DWVZAJPPWIWOMP-LJQANCHMSA-N 481.601 2.143 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCOc1ccc(F)c(Cl)c1 1596788697 BPZKLBJWJOOSCJ-OLZOCXBDSA-N 458.947 2.356 30 10 JEEE C[C@@]12CC[C@@H]3[C@H](CC[C@@]4(O)C[C@H](O)CC[C@]34/C=N/CCCO)[C@@]1(O)CC[C@H]2C1=CC(=O)OC1 1614466717 ZPYOXVKJNQBTTC-ZHXDZSPZSA-N 461.599 2.153 30 10 JEEE CCOCc1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1C[C@H]1CCCCS1(=O)=O 1616957265 ALQUITZULSACAB-WOJBJXKFSA-N 459.572 2.231 30 10 JEEE COc1ccc(-c2nnc(N3CCC(CC#N)CC3)n2CCNC(=O)c2cc[nH]n2)cc1OC 1619188297 AKQRXXVFNLHGPJ-UHFFFAOYSA-N 464.530 2.245 30 10 JEEE C#CCOc1ccc(F)cc1NC(=O)N1CCCN(S(=O)(=O)c2c(C)noc2C)CC1 1623169393 UKXGCOLCTFANHS-UHFFFAOYSA-N 450.492 2.371 30 10 JEEE C=CC1(CC(=O)NC[C@H](O)COc2ccc3c(c2)CCC(=O)N3)CN(C(=O)OC(C)(C)C)C1 1630146363 DCMVAQRONZHWRO-KRWDZBQOSA-N 459.543 2.240 30 10 JEEE CCOc1cccc(CN(CCO)CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)c1 1646189444 COLZVOGXEHHJDE-DEOSSOPVSA-N 454.546 2.428 30 10 JEEE CCN(C)C(=O)OC[C@@H]1CCCCN1CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 1658552573 DFODDCYJGYZPLW-FCHUYYIVSA-N 459.566 2.477 30 10 JEEE C[C@@H](NC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)c1cccc(S(=O)(=O)N(C)C)c1 1678210359 CSMQNGOIADBJJK-NQIIRXRSSA-N 455.584 2.417 30 10 JEEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](c2ccc(Cl)cc2)c2ccsc2)CC1 1682990656 WELKNGRMAQOLIB-GOSISDBHSA-N 452.989 2.286 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@@H]1CCOC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1689984918 YEGQYONBVHFWPR-HOJAQTOUSA-N 458.584 2.253 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1C[C@@H](C)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1689992916 QVQWKUSKYAEJNO-SJORKVTESA-N 453.609 2.017 30 10 JEEE C#CCN(c1nnc(COCC)n1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1689996762 NWDMUCKNMIADAM-RTBURBONSA-N 495.646 2.088 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nc2c(s1)C[C@H](C)CC2 1690046328 AVKVWUASTMUXKR-SJORKVTESA-N 457.625 2.273 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN1C1CCCCC1 1690103276 BIZGYVMHSAMYDS-PZJWPPBQSA-N 463.648 2.063 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccccc2OC(F)F)CC1 1690134882 JBAXZGKJYWGUAS-UHFFFAOYSA-N 474.512 2.032 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCO[C@H]2CCOC2)CC1 1690140184 PQNCMERCCFPNCB-IBGZPJMESA-N 472.977 2.155 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1690430781 TUEDMVBMGPNNBI-SJORKVTESA-N 454.579 2.229 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1690722488 LFAIDFAEWQLUJE-KRWDZBQOSA-N 491.639 2.051 30 10 JEEE Cn1cnnc1Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@](F)(C#N)C1 1696873393 FPFWIAANRKKUSL-VFNWGFHPSA-N 459.530 2.011 30 10 JEEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1C[C@@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1705568762 UVSODUZTWZIYMO-NVXWUHKLSA-N 452.964 2.172 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(Br)s2)n1CCN1CCN(C(C)=O)CC1 1705591415 PRUVNUZBSHVGQZ-UHFFFAOYSA-N 489.443 2.396 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCCN2CCCCCC2=O)CC1 1705648492 TWNUDHZVYGXXNV-OAQYLSRUSA-N 470.618 2.278 30 10 JEEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1705660150 OEDRSWJTCLBOJB-QGZVFWFLSA-N 457.560 2.168 30 10 JEEE C=C(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1705720194 CPXZIFHOLQJYHS-UHFFFAOYSA-N 486.020 2.182 30 10 JEEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CCOCC)CC1 1705725604 KLXRGZJIQMVKMP-LJQANCHMSA-N 464.611 2.321 30 10 JEEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)Cc2cccc(F)c2)CC1 1705829379 OWZQNRNMYVTRKV-OAQYLSRUSA-N 484.576 2.242 30 10 JEEE C=CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1705835429 KKJGUFSMXDENLZ-IPJJNNNSSA-N 467.636 2.145 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1NC(=O)CC1(C)C 1705878233 LQSCUXNJRCANPC-PMACEKPBSA-N 471.627 2.330 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1705932135 MNMPYBLPGDGMAW-HNNXBMFYSA-N 459.494 2.489 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1705932988 QEOKRWHLBAJQEL-HXUWFJFHSA-N 459.616 2.095 30 10 JEEE CNC(=O)CCn1c(COc2ccc(Cl)cc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1711406415 GXAWVKQSSCZEEW-UHFFFAOYSA-N 480.960 2.240 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2C[C@H]2CCCCS2(=O)=O)c1 1722304849 JOXJRNBDXHXSRJ-LJQANCHMSA-N 466.567 2.297 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CCN2CCC[C@@H](C)C2)c1 1722305271 FTHYJRJMOIFRAR-HXUWFJFHSA-N 477.613 2.302 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1CC1CCN(CCC)CC1)[C@H]1CCS(=O)(=O)C1 1722363929 CWTNYKFYDAPHMG-NRFANRHFSA-N 490.699 2.383 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCc2ccccc21 1722413778 RKMUSMGNSRUGGL-CTNGQTDRSA-N 457.600 2.191 30 10 JEEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCO[C@@H](C)C1 1722424861 CFVMCOYJLSIWET-ROUUACIJSA-N 460.604 2.139 30 10 JEEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCCc2ccc(OC)c(OCC)c2)CC1 1722438258 OZPCZVFLIPSGPL-UHFFFAOYSA-N 463.586 2.474 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC(=C)C)CC1 1722446940 DLUSEBBLEOFTIC-IBGZPJMESA-N 472.590 2.128 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2C[C@H](C)N2CCN(CC)CC2)CC1 1722448534 DMKGIUXIIOKMHM-QHCPKHFHSA-N 491.684 2.169 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@@H](C)N(C)C)CC1 1722449717 OPTCCPXLLAQCNK-HXUWFJFHSA-N 452.603 2.390 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CC2(N3CCC(OC)CC3)CCCC2)CC1 1722450616 NSDQFPRGBANZSB-UHFFFAOYSA-N 486.661 2.204 30 10 JEEE C#CCSCCn1c(-c2ccccc2Br)nnc1N1CCN2C(=O)NC[C@@H]2C1 1722457486 ZTEXCLCWARFJNF-CQSZACIVSA-N 461.389 2.288 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(Oc2cncc(Cl)n2)CC1 1722459939 UHQXTJCCJOZBKO-HNNXBMFYSA-N 497.046 2.038 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCC(C(=O)NC)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1722498771 DSBWNLATVSAHJW-MZLICYQSSA-N 461.607 2.262 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccccc2F)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1722500926 NMHIYVMOPHEWAL-NPPFBWRTSA-N 493.605 2.448 30 10 JEEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1722528443 GSXCQPWUCJLDHB-RLLQIKCJSA-N 458.588 2.225 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](COc2ccccc2)C1 1722536974 JOHDJNNMIKEKFE-TZIWHRDSSA-N 476.599 2.057 30 10 JEEE C=C1CCN(c2nnc([C@H](C)OCCOC)n2CC2(NC(=O)OC(C)(C)C)COC2)CC1 1722564257 LSNUIJFNXIRHOS-KRWDZBQOSA-N 451.568 2.452 30 10 JEEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2nccc(OC)n2)CC1 1722588937 HVMGABKMDOTNRF-UHFFFAOYSA-N 454.579 2.128 30 10 JEEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)Cc1cccc(OC)c1 1722688796 LRPUFOLEGUQDGR-UHFFFAOYSA-N 497.625 2.494 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2nccc(C(F)F)n2)C1 1722711659 WFKONSJRFCKBJN-BTYIYWSLSA-N 450.490 2.487 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](CN2CCCCCC2)C1 1722727787 LFRSBSIOTJXNGL-SFTDATJTSA-N 465.664 2.475 30 10 JEEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1722737225 XKYIMOUJKKGOIH-JOCHJYFZSA-N 457.604 2.146 30 10 JEEE CCCNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1728185740 DWRWKBHGGZJVCN-KRWDZBQOSA-N 477.573 2.308 30 10 JEEE CCOc1ccccc1OCc1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@]1(O)CCN(C)C1 1728898973 CFIIFKAIGHHTEQ-RPWUZVMVSA-N 454.575 2.452 30 10 JEEE C#CCCCCn1c(COc2cc(C)ccc2C)nnc1N1CCN(CC(=O)N(C)C)CC1 1740577333 ACXDIYSBOXQWNK-UHFFFAOYSA-N 452.603 2.488 30 10 JEEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1ccnc(-n2cccn2)c1)[C@@H]1CCS(=O)(=O)C1 1740616983 JYZNWMCUGABZEO-PKOBYXMFSA-N 453.572 2.047 30 10 JEEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CC1(OC)CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1740617938 ZDXOLDXKDGJGOL-CADNEJLXSA-N 494.658 2.152 30 10 JEEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc(NC(C)=O)cc1 1740684033 URBSQECOVXYNIL-UHFFFAOYSA-N 495.609 2.331 30 10 JEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1nc(O)c2sccc2n1 1740786424 CIUGQBPUEAKOCV-UHFFFAOYSA-N 457.560 2.454 30 10 JEEE C=C(C)COCCn1c(N2CCN(c3nccnc3C)CC2)nnc1[C@]1(OC(C)C)CCOC1 1740798936 DKWJZDSEOUIBQX-DEOSSOPVSA-N 471.606 2.336 30 10 JEEE CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCOC2CCOCC2)[C@H](C)C1 1741045410 IDQFXQJFNGLFMJ-GOSISDBHSA-N 452.559 2.459 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1Cc1ccnc(OCC(F)(F)F)c1 1741904101 IEKGEIVKPKDULK-STQMWFEESA-N 475.497 2.011 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(Br)cc2Cl)n1CCN1CCCS1(=O)=O 1748832961 CBKILTALCSLTGI-UHFFFAOYSA-N 496.818 2.469 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CC2=CCN(C(=O)OC(C)(C)C)CC2)CC1 1749009472 JHHZZJPQJCNZND-OAQYLSRUSA-N 498.628 2.315 30 10 JEEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1749097688 HMDNCSINRZFGLB-HUUCEWRRSA-N 453.385 2.126 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(OCC(N)=O)CC1 1749120774 HHZJTFWJOOOAML-LIRRHRJNSA-N 493.406 2.488 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)=C(C)C1 1749131751 VGHBAYHIVCZKPR-UFYCRDLUSA-N 465.620 2.139 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCN2CCOC[C@@H]2C1)C(C)C 1749557446 JJQRTTWNPYGYHW-RJGXRXQPSA-N 458.651 2.392 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Br)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1749703891 QZLIMQJCZUDQDT-FOIQADDNSA-N 497.415 2.039 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@H](C)OC(C)(C)C1 1749721991 YIGGNMGUASIGPV-INIZCTEOSA-N 496.033 2.466 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 1749731494 FSDDHMYBOLMXKH-MRXNPFEDSA-N 453.609 2.497 30 10 JEEE CC(C)C(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1750544789 GSHNELJSILGVQU-FQEVSTJZSA-N 484.626 2.336 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2CC(=C)Br)c1 1760128125 ZJXJJKPRCVHSIW-UHFFFAOYSA-N 471.359 2.365 30 10 JEEE C#CCCCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1760154714 YYHNVJXGEHVOBR-INIZCTEOSA-N 451.543 2.326 30 10 JEEE C#CCN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1760170246 VZBVRFSKMCIBNP-JOCHJYFZSA-N 460.586 2.143 30 10 JEEE C#CCN(c1nnc(COCC)n1C[C@@H](C)Oc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1760193134 UUAUSVYOCRFKQZ-IAGOWNOFSA-N 450.536 2.048 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCN1CCC(C)CC1 1760201687 IEQVGFFYVSWHGR-UHFFFAOYSA-N 457.582 2.480 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](c2ccc(CC)cc2)N(C)C)CC1 1760252967 ZMFCDOXUQVDMIS-HSZRJFAPSA-N 463.630 2.135 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC2(N(C)C)CCCCC2)CC1 1760265580 DZRIISTUKFSUKL-SANMLTNESA-N 486.661 2.161 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CC2(SC)CCN(C)CC2)CC1 1760268493 SHDDPODTJPEIRM-UHFFFAOYSA-N 467.643 2.133 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H](C)N(C)C)CC1 1760271447 YCDRCISFIJWAHJ-QGZVFWFLSA-N 458.994 2.426 30 10 JEEE C=C(Cl)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1760372493 LQNODEXAMZNJNY-UHFFFAOYSA-N 469.977 2.363 30 10 JEEE C=CC1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCS(=O)(=O)N(C)C)CC1 1760404131 UEMICJQITOJLBO-UHFFFAOYSA-N 460.604 2.441 30 10 JEEE C=CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1760427696 HHGWYQWAFLXMGK-OAQYLSRUSA-N 472.634 2.469 30 10 JEEE C=CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1760429559 IFHYIPZZVDEFQD-LJQANCHMSA-N 485.658 2.369 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1760515973 UFAJXBZVKGKJMF-CQSZACIVSA-N 489.378 2.488 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC[C@H](Oc2ncccc2F)C1 1760525535 JAWSTNPPPVLIGT-SFHVURJKSA-N 451.506 2.148 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN(C(=O)c2c(F)cccc2Cl)CC1 1760554471 DZBDOKIMHPTYAC-UHFFFAOYSA-N 469.970 2.196 30 10 JEEE C=CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1760567207 SCSLBUQRRAODAA-UHFFFAOYSA-N 453.609 2.445 30 10 JEEE COC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC[C@H](O)C2)CC1 1767960730 DHYCEDJHSHXKBE-OALUTQOASA-N 454.531 2.168 30 10 JEEE CCS(=O)(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1768201729 CPRMGRZVKHWPME-SFHVURJKSA-N 491.639 2.045 30 10 JEEE CCS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCCC2(CCOCC2)C1 1768302277 GTPQBJBPWVTVSQ-UHFFFAOYSA-N 488.614 2.065 30 10 JEEE CS(=O)(=O)[C@H]1CCCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(C(N)=O)CCCC2)C1 1770312035 FAZIVARDMYZYEZ-IBGZPJMESA-N 470.599 2.266 30 10 JEEE CO[C@@H](O)C(=O)[C@@]12OC(C)(C)O[C@@H]1C[C@H]1[C@@H]3C[C@H](F)C4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]12C 1848439719 HNBDDNMDWWIOQL-PUYPEWTCSA-N 466.546 2.471 30 10 JEEE C=CCOc1ccccc1[C@@H]1C(C(=O)NCCN(C)C)=C(N)Oc2c1c(C(F)(F)F)nn2C 1864321775 ADUNCODHUZELGZ-HNNXBMFYSA-N 465.476 2.376 30 10 JEEE C=CCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccc(OCCCCC)c(OCC)c1 1865722593 VNALSVXKXXIFTN-LJQANCHMSA-N 498.580 2.049 30 10 JEEE C=CCN(CC=C)C(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1cccc2ccccc12 1865730264 ZTAZWPQYRZUTGR-IBGZPJMESA-N 458.518 2.132 30 10 JEEE COCCCN1C(=O)c2ccc(C(=O)Nc3c(C#N)nnn3-c3ccc(C)c(F)c3)cc2C1=O 1870141701 GQFHWCBPGDTJRS-UHFFFAOYSA-N 462.441 2.471 30 10 JEEE CC(=O)NCc1nnc(SCC(=O)Nc2ccc(F)cc2)n1/N=C/c1ccccc1C(=O)O 1874431791 XYNVYFXSIYKRHR-YSURURNPSA-N 470.486 2.365 30 10 JEEE CCN1CCN(CC#CCOC2CCN(S(=O)(=O)Cc3ccccc3Cl)CC2)CC1 1889659623 OFSDNCXDCQOBHL-UHFFFAOYSA-N 454.036 2.292 30 10 JEEE CC(C)(C)OC(=O)N1CC=CCN1S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2255793942 FDMAQVMOPZUFHM-UHFFFAOYSA-N 471.410 2.296 30 10 JEEE CC1(C)OB(c2cc(S(=O)(=O)NCCNOCc3ccccc3)ccc2F)OC1(C)C 2255799313 GKLFSNSMZMTEIF-UHFFFAOYSA-N 450.341 2.125 30 10 JEEE CC1(C)C[C@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)N(C(=O)OC(C)(C)C)C1 2256636194 KHYUQQHIRMFDNO-GFCCVEGCSA-N 452.386 2.233 30 10 JEEE CN(CC1(O)CN(C(=O)OC(C)(C)C)C1)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2259117948 IQNMNZPYMFIOMM-UHFFFAOYSA-N 452.382 2.101 30 10 JEEE Cn1cc(C(=O)N2CCC[C@H](NC(=O)OCc3ccccc3)C2)nc1B1OC(C)(C)C(C)(C)O1 2264011134 OTGNAAMEQDTIOV-SFHVURJKSA-N 468.363 2.250 30 10 JEEE CN(CCOCCNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)OC(C)(C)C 2267710766 ATNDSORKNORQJV-UHFFFAOYSA-N 490.453 2.209 30 10 JEEE CC(C)(C)OC(=O)NCCOCC(=O)N1CCc2sc(B3OC(C)(C)C(C)(C)O3)cc2C1 2268637521 CTNZQYIYJJZHOQ-UHFFFAOYSA-N 466.409 2.473 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)Nc1ccc(F)c(F)c1B1OC(C)(C)C(C)(C)O1 2268647329 YQNMGAPSVFSKFX-LBPRGKRZSA-N 456.295 2.478 30 10 JEEE Cc1c(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]3C[C@@H]32)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281798661 KUFGXZXDINBHSV-OAGGEKHMSA-N 460.384 2.155 30 10 JEEE Cn1cc(C(=O)NC2[C@H]3CC[C@H]2CN(C(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)n1 2281957964 CINMENHOKGFXNY-GJZGRUSLSA-N 460.384 2.095 30 10 JEEE C[C@H](NC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 2281974784 ZDPWKJICHLJWJE-HOTGVXAUSA-N 462.400 2.485 30 10 JEEE Cc1nn(C)c(C(=O)NC[C@H](NC(=O)OC(C)(C)C)C(F)(F)F)c1B1OC(C)(C)C(C)(C)O1 2281979023 KNEYXWWGVOKYKX-LBPRGKRZSA-N 476.305 2.213 30 10 JEEE CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2282187051 DEMSLERPIOPFSU-VWLOTQADSA-N 451.376 2.090 30 10 JEEE COc1ccc(C(=O)NN2CCN(C(=O)OC(C)(C)C)CC2)cc1B1OC(C)(C)C(C)(C)O1 2282525485 QPXIVESJQZRXHR-UHFFFAOYSA-N 461.368 2.192 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC(F)(CNC(=O)OC(C)(C)C)CC1 2282534947 JBJDFZSOHSDKBL-UHFFFAOYSA-N 466.363 2.188 30 10 JEEE Cc1nn(C)c(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H](C)C2)c1B1OC(C)(C)C(C)(C)O1 2282556323 GHTXKWLHRXZHBK-HNNXBMFYSA-N 462.400 2.357 30 10 JEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CCN(C(=O)OC(C)(C)C)[C@@H]2COC[C@H]21 2282558758 KUTFKWOFECKFOL-IAGOWNOFSA-N 462.352 2.348 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@]12C[C@@H]1CN(C(=O)OC(C)(C)C)C2 2282586846 DYBWQSIQLIXOPO-CMJOXMDJSA-N 460.384 2.015 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@@H](NC(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)cc3)[C@H]2C1 2282665904 DLMWFLAFNDXHDE-QRVBRYPASA-N 458.364 2.350 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2O)c1 2282684523 RQHNXGJCMDCHGL-OALUTQOASA-N 460.380 2.394 30 10 JEEE C[C@H]1CCN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1CNC(=O)OC(C)(C)C 2282706102 HVHATIBKPXZBHN-HOTGVXAUSA-N 460.384 2.399 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H]1CC[C@H]1NC(=O)OC(C)(C)C 2282871491 IBLMGYUMWWNTLT-CVEARBPZSA-N 482.408 2.328 30 10 JEEE Cn1cc(C(=O)NCc2ccccc2B2OC(C)(C)C(C)(C)O2)c(=NC(=O)OC(C)(C)C)[nH]1 2284045422 MSHSPGCIKRAVAQ-UHFFFAOYSA-N 456.352 2.418 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(F)cc2Cl)C1 2285941282 JKKLQGISACOTRH-IAGOWNOFSA-N 484.761 2.488 30 10 JEEE Cc1ccc(CNC(=O)[C@@H](NC(=O)OC(C)(C)C)C2COC2)cc1B1OC(C)(C)C(C)(C)O1 2296178885 TWDJOXSZWYHWGW-IBGZPJMESA-N 460.380 2.450 30 10 JEEE N#Cc1ccc(N2CCC([C@H]3CN(C(=O)c4cc[nH]n4)C[C@@H]3C(N)=O)CC2)cc1C(F)(F)F 2297650303 LBXQQIWZGIVDHO-SJORKVTESA-N 460.460 2.390 30 10 JEEE CC(C)(C)OC(=O)N[C@@]1(CO)CCCN(c2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)C1 2345714634 RJSJRRRPIKNNKK-QFIPXVFZSA-N 451.348 2.376 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@H]([C@@](C)(C(=O)O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C1 2346916303 LSFPQNHDABRHSH-SKPFHBQLSA-N 458.559 2.176 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CS(C)(=O)=O)C(=O)Nc1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2360641716 AFMDHQMKBYFAFL-INIZCTEOSA-N 486.371 2.001 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@]23CCN(C(=O)OC(C)(C)C)C[C@H]2C3)n1C 2362339884 LOHOYHSQKAUQFP-CMJOXMDJSA-N 460.384 2.157 30 10 JEEE CC(C)(C)OC(=O)N(CCO)[C@H]1CCCN(C(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C1 2362573556 NFEMZAJJZLWDBV-HNNXBMFYSA-N 481.424 2.276 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@H]3C[C@]2(CNC(=O)OC(C)(C)C)C3)n1 2366376423 LGHWRBWYNSQDDJ-GUJKFWMDSA-N 460.384 2.239 30 10 JEEE COc1ccc(NC(=O)CSc2nnc(N/N=C/c3cc([N+](=O)[O-])ccc3O)n2N)c(C)c1 20527408 NZDUTHSAWFDPCL-ZVBGSRNCSA-N 472.487 2.100 30 10 JEEE N#C[C@@H]1C(=O)Nc2nc(NCc3ccc4c(c3)OCCO4)[nH]c(=O)c2[C@@H]1c1cccc([N+](=O)[O-])c1 72472465 QKERCJLBFANDMT-MAUKXSAKSA-N 474.433 2.285 30 10 JEEE CCOC(=O)[C@@H]1CCCN(c2nc(=O)c3c([nH]2)NC(=O)[C@@H](C#N)[C@H]3c2ccc(SC)cc2)C1 203567377 MUPOHFRWQWRAEV-HYVNUMGLSA-N 467.551 2.495 30 10 JEEE C#CCNC(=O)c1ccc2oc(N3CCN(S(=O)(=O)c4ccc(F)c(Cl)c4)CC3)nc2c1 248033314 YIFGPPXAOJZEGX-UHFFFAOYSA-N 476.917 2.494 30 10 JEEE COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1-c1ccc(C)c(F)c1 514490932 DRXBFFGQGUWLSN-INIZCTEOSA-N 451.523 2.001 30 10 JEEE CNS(=O)(=O)c1ccccc1N1CCN(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC1 590155400 TYTCIQLUHKAZJR-UHFFFAOYSA-N 480.512 2.497 30 10 JEEE C[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)C(=O)NCc3ccc(C#N)cc3F)cc2)C1 609256651 BQBVVVCLXGYOGN-HNNXBMFYSA-N 458.515 2.373 30 10 JEEE C=CCN(CC(=O)N(CC(C)C)[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc(Cl)c1 663215697 FTSOCORVIQYPBL-QGZVFWFLSA-N 463.021 2.188 30 10 JEEE CC(C)(O)CC[C@H](O)[C@@](C)(O)[C@@H]1CC[C@]2(O)C3=C/C(=N\O)[C@H]4C[C@H](O)[C@H](O)C[C@@]4(C)[C@H]3CC[C@@]12C 1074744263 CBQFTGKSOCYQEV-WECFALJHSA-N 495.657 2.115 30 10 JEEE COc1ccc(C(C)=NNc2nnc(SCC(=O)Nc3cccc([N+](=O)[O-])c3)n2N)cc1OC 1083890493 RZAFOEKYPHHQMX-UHFFFAOYSA-N 486.514 2.484 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCC(=O)NC)c1 1286310920 AEEGQCRPBILHDF-DENIHFKCSA-N 466.586 2.389 30 10 JEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CCS(=O)(=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1286385832 ZYQKDJXVBDXHFT-SFHVURJKSA-N 499.058 2.439 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@H]1CC(F)(F)CO1)[C@H]1CCS(=O)(=O)C1 1286394876 XKBAGUHHLPCENX-RBUKOAKNSA-N 464.538 2.114 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1CC(F)(F)C1(OC)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1286395534 RSSFCEFIOYFYMX-QGZVFWFLSA-N 488.601 2.324 30 10 JEEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(CS(C)(=O)=O)cc1 1286422061 IYKLUQLKENRGBB-VWLOTQADSA-N 484.622 2.375 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1CCCCC1=O 1286458085 JPTJEHWSHYSBNK-HXUWFJFHSA-N 487.601 2.362 30 10 JEEE C#CCN1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(N3CCO[C@H](C)C3)nc2)CC1 1286478319 CXOBCPNNPSCXEX-HXUWFJFHSA-N 451.619 2.290 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCc2c(C)noc2C)CC1 1286479643 IKCUEEFVTNFHKW-NRFANRHFSA-N 499.616 2.189 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@@H]2C[C@H](F)CN2Cc2cccs2)CC1 1286494280 LJXRGYFDBCBXOK-PMACEKPBSA-N 488.633 2.455 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC[C@H](C(=O)c3ccc(F)cc3)C2)nnc1[C@@]1(OCC)CCOC1 1286793033 PKDBVFVJFIUMEY-UQBPGWFLSA-N 485.560 2.471 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CCC(CNC(C)=O)CC1 1286815833 FRLIRWKATDTXAZ-UHFFFAOYSA-N 459.616 2.461 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1286818607 KXDLIZIRDQJLAP-MRXNPFEDSA-N 477.612 2.041 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(C(=O)N(CC)CC)cc1 1292133181 GHKDJQVGJXRCFS-OAQYLSRUSA-N 481.601 2.456 30 10 JEEE CCNC(=O)C(C)(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1296240324 GINCFIQTOQDORT-IBGZPJMESA-N 466.590 2.275 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccccc2Br)n1CCN1CCN(C(C)=O)CC1 1300572089 PBCVMHOVATYGLL-UHFFFAOYSA-N 483.414 2.335 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1CCS(=O)(=O)C(C)(C)C 1300671033 AFFMATYZDZPVML-LJQANCHMSA-N 462.572 2.090 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)Oc2ccc(C)cc2)CC1 1300710586 HTXILEFLCXIWHH-FQEVSTJZSA-N 478.597 2.256 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCc2cccs2)CC1 1300728940 KSBYSBOOCIKOGX-UHFFFAOYSA-N 451.600 2.410 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1300876010 PFLMHGQHRFEANT-TZIWHRDSSA-N 475.615 2.407 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1300935292 PLOMCLKSICMETR-VGOFRKELSA-N 461.588 2.156 30 10 JEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1[C@@H]1CCCO1 1301188386 IMFWPWLFIPHXOK-FHWLQOOXSA-N 453.609 2.115 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(O)CCOCC1 1301402373 GJHBTYLJXKZCCJ-SFHVURJKSA-N 463.579 2.306 30 10 JEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCN(CCc2ccccc2)CC1 1301507987 CEZLWHPJTNPCPP-UHFFFAOYSA-N 465.627 2.301 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1301577699 NSJBTOMBPPQLCI-LJQANCHMSA-N 491.614 2.276 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCO[C@@H](CC)C1 1301578409 AAULXEUGBLZQKA-FQEVSTJZSA-N 456.572 2.347 30 10 JEEE C#CCN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)C1CCN(C(=O)OC(C)(C)C)CC1 1303655460 DNQOWVPOWPDZBP-SFHVURJKSA-N 451.564 2.484 30 10 JEEE CCNC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2C[C@H](C)O[C@@H](C)C2)CC1 1313989005 HTPHHDQEIBJDHR-PMACEKPBSA-N 495.628 2.190 30 10 JEEE COC[C@H]1CCCCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N2CCOCC2)C1 1315886056 CNXLNGWBBFCJRK-NRFANRHFSA-N 482.585 2.231 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCN1CCCO 1358983542 MFXSJARTVSZIJO-RTWAWAEBSA-N 470.618 2.270 30 10 JEEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCN1CCN(C)C(C)(C)C1 1359001817 FAHSRTUXMCQIKP-UHFFFAOYSA-N 486.690 2.032 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2nc3c(s2)C[C@H](C)CC3)CC1 1359047420 GMILOXDRKDOECR-MRXNPFEDSA-N 456.616 2.410 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](CN(C)CCC)C1 1359099726 SFLPZVMKZYSLTE-CGXNFDGLSA-N 465.664 2.330 30 10 JEEE C=CCn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1359284984 YACVDIJTSSXQEX-HNNXBMFYSA-N 457.336 2.426 30 10 JEEE C=CCn1c(N2CCN([C@H](C)C(=O)NC3CCCC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1359290689 MKRKXQAQIGOBBD-DVECYGJZSA-N 460.623 2.074 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(F)cc1Cl 1359473558 DSYPVFWKKLDKEO-KBXCAEBGSA-N 484.985 2.242 30 10 JEEE CC(C)(C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCNS(=O)(=O)c1ccccc1 1359513038 DNVJIDSSFBTMNU-UHFFFAOYSA-N 494.625 2.147 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1C[C@](C)(O)c1ccccc1Cl 1360671619 HIJLPWFRJUVJDJ-VLIAUNLRSA-N 466.995 2.189 30 10 JEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(CC(=O)N2CCN(C)CC2)CC1 1443624891 PRJVDVNDUMOGRG-SFHVURJKSA-N 457.015 2.425 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C2)s1 1453717761 QFVSLZVHTREJOS-HUUCEWRRSA-N 461.581 2.219 30 10 JEEE C#CCNC(=O)C1CCN(C(=O)c2cccc(S(=O)(=O)Nc3ccc(OC)cc3)c2)CC1 1467451052 FQQDRTBOOLPURE-UHFFFAOYSA-N 455.536 2.098 30 10 JEEE N#Cc1ccc(CN2CC[C@H](NC(=O)N[C@@H](CO)c3ccc(Br)cc3)C2=O)cc1 1478567049 DXNMAHRXMKPAQY-OALUTQOASA-N 457.328 2.454 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CC(F)(F)CNC(=O)OC(C)(C)C 1497084955 CHYHCIMMEHVUIL-HNNXBMFYSA-N 485.536 2.085 30 10 JEEE CN(Cc1ccccn1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1503490247 GYBKAIJSMGBDQT-GOSISDBHSA-N 451.556 2.130 30 10 JEEE COCCN(c1nnc(COc2ccc(C#N)cc2)n1CC(=O)N1CCOCC1)[C@H]1CC[C@@H](C)C1 1504863343 DNYVGSCTCFVILO-CTNGQTDRSA-N 482.585 2.229 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCOCC(=C)C)[C@H]1CCS(=O)(=O)C1 1507625174 HTMAUVBCVGVPKZ-INIZCTEOSA-N 482.404 2.255 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1CCNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1507635557 XEKKSSGFOXZVIG-INIZCTEOSA-N 453.609 2.018 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1C[C@@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1507659305 QFMCDEAHLRHCEG-HKBOAZHASA-N 496.612 2.001 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCOC[C@@H]1OC 1507701528 JQGSIYFSRULKKO-ZVDOUQERSA-N 476.574 2.011 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCc2ccc(N(C)C)cc2)CC1 1507728642 ZYFOQBXNNLYDNS-UHFFFAOYSA-N 477.638 2.334 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccccc2CN(CC)CC)CC1 1507737806 FXBZNIFQWAFGHF-QHCPKHFHSA-N 491.640 2.085 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1N(C)CCCC1(C)C 1507821319 YVAUSQOZZNHZDW-RBUKOAKNSA-N 468.668 2.134 30 10 JEEE C=C(Cl)Cn1c(COc2ccccc2F)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1507871961 CQLHHLCBJHDFCD-QGZVFWFLSA-N 499.996 2.380 30 10 JEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(CSC)c1 1507979877 CNYKBMOCNODKCO-GOSISDBHSA-N 451.618 2.145 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCCC1 1508008300 LYDSRSOKWDOTFJ-NRFANRHFSA-N 492.621 2.039 30 10 JEEE C[C@H](c1nccs1)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N(C)C)CC1 1509938301 GFUKSJHLLFDANC-QGZVFWFLSA-N 480.598 2.157 30 10 JEEE CCOCC(C)(C)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1516428423 BPAYXBCVKWHYNB-MSOLQXFVSA-N 454.579 2.221 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC(=O)NCc1ccco1 1538965061 MDWPBELPIANLHP-HNNXBMFYSA-N 454.918 2.229 30 10 JEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 1539053394 QVODAQPYISTHLA-RDTXWAMCSA-N 465.542 2.222 30 10 JEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1noc2c1CCCC2 1539154622 LJYJLYCMAIMNDR-UHFFFAOYSA-N 454.556 2.180 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1C[C@@H]1CCOC[C@H]1OC)[C@H]1CCS(=O)(=O)C1 1539210872 FBDRYVGHWLVGRU-FDFHNCONSA-N 472.611 2.186 30 10 JEEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1C[C@@H](F)COC)[C@H]1CCS(=O)(=O)C1 1539230321 LTWJLJLLEVIZRX-MOPGFXCFSA-N 464.563 2.085 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(Br)s2)n1CCCS(C)(=O)=O 1539399066 ALHZVHLJCYACJE-UHFFFAOYSA-N 461.407 2.290 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCc2nnc(C)s2)CC1 1539441442 PAVHCFQDEAVOSW-UHFFFAOYSA-N 453.572 2.120 30 10 JEEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1539578954 GCWLFSUVQDLOKZ-SFHVURJKSA-N 499.454 2.045 30 10 JEEE C=C(C)COCCn1c(N2CCC(N3CCCNC3=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1539758847 AVACCKGEYKNTLX-DEOSSOPVSA-N 476.622 2.296 30 10 JEEE C=CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccc(C)n(C)c1=O 1540191952 SDQJBGGEKKPXGR-UHFFFAOYSA-N 471.583 2.043 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cc(OC)ccc3Br)n2Cc2nnn(C)n2)C1 1540885032 AHFVFPJUYDOTFH-AWEZNQCLSA-N 475.351 2.069 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2Cc2cc(C)no2)C1 1540885085 BJWBOFZVOAUTBS-SFHVURJKSA-N 472.571 2.321 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CCC[C@@H](n2cncn2)C1 1540907338 SSMZDEAFMSPOHQ-HXUWFJFHSA-N 455.588 2.097 30 10 JEEE CC(=O)N(C)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CC=CCC2)CC1 1540933261 KUGDUXNDZHRJOZ-UHFFFAOYSA-N 463.586 2.438 30 10 JEEE CC(=O)N1CCN(CCn2c(-c3ccccc3Br)nnc2N2CC[C@@](F)(C#N)C2)CC1 1541005126 KMDGYRSSNDTDFV-OAQYLSRUSA-N 490.381 2.314 30 10 JEEE CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCCO2)CC1 1545712840 HSBFJSGUUMYVMM-DENIHFKCSA-N 465.602 2.423 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCCN(c3ccccc3C#N)CC2)n1C[C@@H]1COCCO1 1545909296 AQSRNYGIKOANII-OAQYLSRUSA-N 481.601 2.200 30 10 JEEE Cc1cnn(CC(=O)N2C[C@@H](C(N)=O)C3(CCN(c4ccc(C#N)c(C(F)(F)F)c4)CC3)C2)c1 1548375590 RTHLEOBQMIVYJM-IBGZPJMESA-N 474.487 2.313 30 10 JEEE CNC(=O)[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CC12CCN(C(=O)c1nccn1C)CC2 1548378114 UEWMXFACYBNKRO-SFHVURJKSA-N 474.487 2.415 30 10 JEEE COC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCN(C(C)C)CC2)C[C@@H](C)O1 1555388505 HDGCWXKRVRTAQD-DENIHFKCSA-N 468.602 2.292 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCCSC)[C@H]1CCS(=O)(=O)C1 1588035584 VRUBXYUCBNUXAL-AWEZNQCLSA-N 472.434 2.416 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@](C)(O)C(C)C)[C@H]1CCS(=O)(=O)C1 1588035774 XRQGIGNJESMEEP-KXBFYZLASA-N 484.420 2.069 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1Cc1c(CC)noc1C)[C@@H]1CCS(=O)(=O)C1 1588040537 OBNILIZTAOJUHO-GOSISDBHSA-N 499.593 2.496 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H](c1ccccc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1588050396 SCHWDRRGCRVHGT-CTNGQTDRSA-N 452.584 2.203 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCN2CCSCC2)CC1 1588961623 GOGSNYOTGDDODT-UHFFFAOYSA-N 496.681 2.489 30 10 JEEE C#CCSCCn1c(N2CCO[C@@](C)(c3cnn(C)c3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1589125747 QAJDMPHXDNSEJR-DHIUTWEWSA-N 474.631 2.171 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CC[C@](C)(N2CCOCC2)C1 1589493962 JOXFZHKNKVKTKY-XARGGIHNSA-N 463.623 2.284 30 10 JEEE C=C1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCOCCN(C)C)CC1 1594096886 JTNLMZLGIHXDHN-IBGZPJMESA-N 464.611 2.321 30 10 JEEE C=CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1594669321 WFUWBHWZXBURGP-UHFFFAOYSA-N 481.601 2.287 30 10 JEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1594812504 GYZFXXNSVZEFIV-GOSISDBHSA-N 488.589 2.110 30 10 JEEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(C)CCOc1ccc(C)cc1 1595536445 ACXXIGAXQUUVJI-UHFFFAOYSA-N 452.515 2.132 30 10 JEEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCN(c2ccc(F)cn2)CC1 1595569662 MQCFNQWLLNTRDH-UHFFFAOYSA-N 465.533 2.063 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](CN2CCCC[C@@H]2C)C1 1595752683 DDCNHQAATWTKKV-LEWJYISDSA-N 492.690 2.206 30 10 JEEE C=CCn1c(SCCS(=O)(=O)c2ccccc2S(=O)(=O)N(C)C)nnc1C1CC1 1613294663 KHDOHGRHTWLZJI-UHFFFAOYSA-N 456.615 2.158 30 10 JEEE CCCn1nc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCNC(=O)C(C)C)c2ccccc2c1=O 1614896878 AZIPDZCDUQTZDP-DEOSSOPVSA-N 480.548 2.279 30 10 JEEE COc1cc(OC)c2c(c1Cl)O[C@@]1(C(=O)C=C(NCCS(=O)(=O)NC(C)C)C[C@@H]1C)C2=O 1615243903 KZSBMZGMMGJHSC-QKVFXAPYSA-N 486.974 2.081 30 10 JEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H](C)c1ccc(N2CCCNC2=O)cc1 1628727681 GJRUJZQEOZAHJG-HZPDHXFCSA-N 455.540 2.022 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ccnc(-n2cccn2)c1 1689835917 VBMOQTUEUQYTSU-GOSISDBHSA-N 490.593 2.282 30 10 JEEE C#CCCCCn1c(-c2ccccc2OC)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1689883938 COVXNNDLSJBSJB-HXUWFJFHSA-N 487.626 2.388 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(OC(F)F)cc1 1689929825 FPWLQSVTGDGGDF-GOSISDBHSA-N 483.541 2.262 30 10 JEEE C#CCN(c1nnc(C2CC2)n1CCc1c(OC)cc(OC)cc1OC)[C@H]1CCS(=O)(=O)C1 1689988783 WIEDJMNGONYHAL-KRWDZBQOSA-N 474.583 2.051 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)NCCC 1690206687 XJHFRFKWYYRMCV-GAJHUEQPSA-N 460.579 2.105 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2noc3c2COCC3)nnc1N(C)CCNC(=O)C(C)C 1690245778 MXBQYKAXPJIEGV-OXQOHEQNSA-N 458.563 2.195 30 10 JEEE C=C(C)CN(CC)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1690254999 MUGKCEIAEQWCRY-OALUTQOASA-N 464.636 2.121 30 10 JEEE C=C(C)Cn1c(N2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)nnc1[C@]1(OC(C)C)CCOC1 1690297815 HNHQFUFSYHDMAB-OFVILXPXSA-N 474.650 2.418 30 10 JEEE C=C(Cl)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](NC(C)=O)C1 1690346697 ZWYQVTDFQLJINK-IAGOWNOFSA-N 468.986 2.444 30 10 JEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(N3CCOCC3)CCCCC2)CC1 1690396613 HFSSOIRWAHNCCQ-LJQANCHMSA-N 480.679 2.326 30 10 JEEE C=CC1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCN2CCOC[C@H]2C)CC1 1690402731 NUNWFTLXBRSPAE-GOSISDBHSA-N 459.616 2.472 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1690665922 UBSPSAQDLRFOAL-UHFFFAOYSA-N 479.006 2.233 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCN(C)C(=O)[C@H]1C 1690675656 ATIZGCBRERLTQE-QGZVFWFLSA-N 454.575 2.124 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC(S(=O)(=O)CC)CC1 1690675951 KVMHPWJTBXAVBE-UHFFFAOYSA-N 482.006 2.216 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1690715327 IYMRYYHQNDMHST-JKSUJKDBSA-N 482.006 2.339 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1690726911 QHAYQJNYTBYOQV-JOCHJYFZSA-N 462.620 2.097 30 10 JEEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCC(CC#N)CC2)n1CCN1CCCS1(=O)=O 1691328423 ASAQBCMYOPPDIX-RTBURBONSA-N 464.636 2.362 30 10 JEEE COCCn1c(COc2ccccc2F)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1698069692 DFEGVOBADOQOLR-INIZCTEOSA-N 452.494 2.019 30 10 JEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOc2ccccc2Cl)CC1 1705532862 RTBQWKKTSQLZSX-LJQANCHMSA-N 492.045 2.448 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CCc1ccc(O)cc1 1705533237 WBSMZVGQMWEBLX-RXVVDRJESA-N 475.615 2.188 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1csc([C@@H](C)OC)n1)[C@H]1CCS(=O)(=O)C1 1705566816 QLXKRUOOTQKUCA-NJAFHUGGSA-N 479.628 2.359 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1Cc1c(C)nn(C)c1C)[C@H]1CCS(=O)(=O)C1 1705569902 ICMYLTKLKZLWLY-NRFANRHFSA-N 466.611 2.203 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCC(=O)N[C@H](C)CC)CC1 1705632581 VEBGEUDUULXUPE-HXUWFJFHSA-N 465.602 2.207 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCN2CCCC(C)(C)C2)CC1 1705633882 AWQLNZOPHMDJCH-UHFFFAOYSA-N 484.670 2.226 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](OCC)c2ccccc2)CC1 1705649112 KNYSUQGULUIOQO-QFIPXVFZSA-N 461.570 2.422 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCO[C@H]2C(=C)C)CC1 1705651431 WQNUYFRMEIHMLB-KNQAVFIVSA-N 496.637 2.217 30 10 JEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)c2cccc(C)c2)CC1 1705660141 NZXGBESXOVWMAQ-FQEVSTJZSA-N 466.611 2.257 30 10 JEEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1705732868 DRCSYGZKSWEZDS-UHFFFAOYSA-N 482.976 2.407 30 10 JEEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1705829785 CATIBHGJFGFASO-MDNUFGMLSA-N 474.650 2.144 30 10 JEEE C=CCN(CC=C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H](C)N1CCOCC1 1705870619 VWYCVXBAKPVPLJ-GOSISDBHSA-N 473.647 2.446 30 10 JEEE C=CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1705889429 SUERFSZPCFNKIY-HXUWFJFHSA-N 456.572 2.347 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)C[C@@H]1CCCCO1 1705895217 YIDSLVYQUGEMMI-SFHVURJKSA-N 460.966 2.169 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1705895363 DMTGTMDDLLGWRF-MSOLQXFVSA-N 463.485 2.233 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](C)N2CCc3ccccc32)C1 1705917709 YSCMYSVDMGKHQQ-QWFCFKBJSA-N 474.631 2.121 30 10 JEEE CCOc1ccccc1OCc1nnc(N2CC[C@](F)(C#N)C2)n1CCN1CCOC[C@H]1C 1710564859 HPJXVBZIVFJFDW-JPYJTQIMSA-N 458.538 2.418 30 10 JEEE C#CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1722314322 LPVGEAOHSRRHBQ-IRXDYDNUSA-N 480.660 2.300 30 10 JEEE C#CCCCn1c(Cc2cn3ccccc3n2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1722336151 TXDNQCFKZRYELZ-UHFFFAOYSA-N 476.629 2.311 30 10 JEEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(Cc2cscn2)CC1 1722464631 MJRISCPWOZEYOU-HKUYNNGSSA-N 462.645 2.147 30 10 JEEE C=C(Br)Cn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1722486799 FBNMOLLOKMVETB-GOSISDBHSA-N 498.447 2.499 30 10 JEEE C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 1722601128 VIRYGURLKPMVGE-HXUWFJFHSA-N 451.575 2.346 30 10 JEEE C=CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1CCCCS1(=O)=O 1722681709 QUTXKXLONMPGFO-HXUWFJFHSA-N 489.646 2.058 30 10 JEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(c2ncc(F)cn2)CC1 1722686249 UXEHZGHCAVIXNW-KRWDZBQOSA-N 474.541 2.028 30 10 JEEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1722701332 NEBMSFHHAYBADJ-LJQANCHMSA-N 465.558 2.450 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](c2cccc(F)c2)N(C)C)C1 1722717769 DDBACYDTQOUUIT-NRSPTQNISA-N 477.606 2.404 30 10 JEEE CCCOc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCN2CCOC[C@H]2C)cc1OC 1728216654 FDWVHSPYLXOGJG-QUCCMNQESA-N 470.574 2.192 30 10 JEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1740567719 VFVRBZLLQMJZCV-HXUWFJFHSA-N 483.642 2.276 30 10 JEEE C#CCCCn1c(COc2ccc(Br)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1740594964 GXOPOEJIHUNVCV-IBGZPJMESA-N 476.375 2.374 30 10 JEEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1C[C@H](F)COC)[C@@H]1CCS(=O)(=O)C1 1740623839 BPNLYMZJZIIKPH-RBUKOAKNSA-N 464.563 2.085 30 10 JEEE C#CCN(c1nnc(COc2ccccc2CC)n1CC(C)(C)OC)[C@H]1CCS(=O)(=O)C1 1740628142 OACUNSHSVUAXRT-IBGZPJMESA-N 460.600 2.471 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2cnn(C)c2)C1 1740981530 PJSXHTLPZGYNGL-RTBURBONSA-N 473.578 2.150 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2CCN(C(=O)OC)CC2)C1 1740983781 PMSLHQDOCWXVDV-HXUWFJFHSA-N 457.579 2.399 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CC1(C(N)=O)CCOCC1 1741797780 AGPFUIQMYZMFKZ-LBPRGKRZSA-N 450.341 2.056 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1Cc1cnn(C)c1C)[C@@H]1CCS(=O)(=O)C1 1748804653 JQRLTCBFKZHXMB-FXAWDEMLSA-N 486.573 2.274 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1Cc1ccc(C)nc1)[C@@H]1CCS(=O)(=O)C1 1748808106 HXJDGPFKBOICIY-HXUWFJFHSA-N 481.578 2.341 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1CCCN(C(C)C)C(C)C)[C@H]1CCS(=O)(=O)C1 1748812564 WNWWYZSOKQITGK-FQEVSTJZSA-N 460.648 2.419 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@H](C)SC)[C@H]1CCS(=O)(=O)C1 1748824195 KWYRHISNJSRENG-HOTGVXAUSA-N 452.577 2.374 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCn1cc([C@H]2CCOC2)cn1 1748825357 VGFSJBXVVFOJJX-FQEVSTJZSA-N 491.983 2.335 30 10 JEEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1(O)CCN(C(C)C)CC1 1748925481 IOWRJCGJJZBXBP-UHFFFAOYSA-N 466.634 2.147 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccccc2Br)CC1 1749009012 FBAYEZPTLZIKFP-GOSISDBHSA-N 485.386 2.006 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2Cc2cnn(CC(C)C)c2C)CC1 1749016442 DUUTXNHOLPVNPW-UHFFFAOYSA-N 474.613 2.439 30 10 JEEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1749032380 FPHZBHOHEHLIHV-UHFFFAOYSA-N 454.648 2.096 30 10 JEEE C=C(Br)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1749096185 HUBDEZFCWFROFW-IBGZPJMESA-N 486.374 2.381 30 10 JEEE C=C(Cl)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1749255683 HBOMFDYGQQJVHR-UHFFFAOYSA-N 462.982 2.361 30 10 JEEE COCC[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1749601699 AYOVCBYVNYZMHG-LAUBAEHRSA-N 480.491 2.109 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1cccnc1OC 1760102741 PNKMIJXOOPPNGT-INIZCTEOSA-N 454.556 2.105 30 10 JEEE C#CCCCn1c(N2CCN(c3cccc(OCC)n3)CC2)nnc1[C@]1(OCC)CCOC1 1760159729 NSIOOQDRKJDICB-DEOSSOPVSA-N 454.575 2.464 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CSCCS1 1760196184 FFZMJCRZLUSZCT-GOSISDBHSA-N 475.665 2.117 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCCC)c(OC)c1 1760218928 QIAIPXXCMOGPEX-HXUWFJFHSA-N 470.595 2.489 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CC2CN(C(=O)OC(C)(C)C)C2)CC1 1760271833 OCFWLSGVRSJQGL-UHFFFAOYSA-N 493.612 2.097 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(CCc2ccc(OC)cc2)n1CC1(C(N)=O)CCOCC1 1760297337 PAYOQWTYWDPJLI-XMMPIXPASA-N 451.571 2.346 30 10 JEEE C=C(Br)Cn1c([C@H]2CCCCO2)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1760306720 JYFNVYOXOMZIJZ-JKSUJKDBSA-N 477.425 2.458 30 10 JEEE C=CCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](C(=O)OC)C1 1760446086 HAMMMSNAJMRPIQ-GOSISDBHSA-N 462.572 2.331 30 10 JEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(O)(Cc2ccccc2F)CC1 1760450248 HDGQLMLKJJBVFV-HXUWFJFHSA-N 492.617 2.486 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCCN(CC)C(=O)C1 1760551131 UTBKSXLWHKJUQZ-UHFFFAOYSA-N 483.541 2.206 30 10 JEEE CCC[C@](C)(O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1765429090 GFEFJHYJLNKMTM-DEOSSOPVSA-N 475.557 2.070 30 10 JEEE CCCC[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1)C(=O)Nc1ccccc1C#N 1866592614 HHFFLSSPOVIJKY-QHCPKHFHSA-N 497.621 2.422 30 10 JEEE C=CCN(CC=C)C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)C1CCN(C(=O)C(F)(F)F)CC1 1869068371 NAXPILJLSPDLSW-IBGZPJMESA-N 467.488 2.421 30 10 JEEE N#Cc1nnn(-c2cccc(F)c2)c1NC(=O)CN1C(=O)c2ccc(Br)cc2C1=O 1870155195 ARYFPOSHHJOEKD-UHFFFAOYSA-N 469.230 2.275 30 10 JEEE C=CCn1c(C(=O)NCCCCN(CC)CC)cc2c(N3CCC(C(N)=O)CC3)ncnc21 1873594874 FGXLSWJMXFWJNT-UHFFFAOYSA-N 455.607 2.171 30 10 JEEE N#CC1CCN(CCNC(=O)[C@H]2CCCN2S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 1890482750 BRWIFZHHJHRRRJ-GOSISDBHSA-N 458.506 2.210 30 10 JEEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)N3CCC(OCC#CCN4CCN(C)CC4)CC3)n[nH]2)c1C 1890547428 ZZPAXIOOIQMDQO-UHFFFAOYSA-N 493.656 2.338 30 10 JEEE CN(C)CC#C[C@@H]1CCCN1C(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc(C(F)(F)F)c1 1890984198 HQWJRJPGHKWPIE-MJGOQNOKSA-N 457.518 2.415 30 10 JEEE CC(C)(C)OC(=O)NCc1cn(CC(=O)N2CC[C@@H]3C[C@]3(B3OC(C)(C)C(C)(C)O3)C2)nn1 2194120295 IQMXYUJCNLGUJG-QRQCRPRQSA-N 461.372 2.388 30 10 JEEE C=C1CC(NC(=O)OC(C)(C)C)(C(=O)N2C[C@@H]3CN(C(=O)OC(C)(C)C)[C@H](CO)[C@H]3C2)C1 2220107815 CJXGCWNZMPKBMX-IXDOHACOSA-N 451.564 2.286 30 10 JEEE CC(C)(C)OC(=O)NCC[S@@](C)(=O)=NC(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1 2255657254 MGVTXDBSEXIUBN-WJOKGBTCSA-N 453.370 2.144 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1COCCN(C(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2255811705 KIZXMFKIVXSZAL-CQSZACIVSA-N 452.382 2.413 30 10 JEEE Cc1c(C(=O)N[C@H]2CCN(C(=O)OCc3ccccc3)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2255832792 RJAVMURHWZDZFT-SFHVURJKSA-N 468.363 2.169 30 10 JEEE Cn1nc(C(=O)NC2CCN(C(=O)OCc3ccccc3)CC2)cc1B1OC(C)(C)C(C)(C)O1 2255838923 NMFUINUOZMXQPY-UHFFFAOYSA-N 468.363 2.250 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CC1(F)F 2267099796 NTXDKTHOXWDVGM-CYBMUJFWSA-N 456.299 2.083 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)c(F)c2)C1 2267365584 RNLKSFKUTNABME-AWEZNQCLSA-N 470.372 2.413 30 10 JEEE COC[C@@H](CC(=O)N=c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)[nH]1)NC(=O)OC(C)(C)C 2268713456 YXTHUXCBCWWFLB-CYBMUJFWSA-N 469.775 2.324 30 10 JEEE C=C(CN(C)C(=O)[C@@]1(COC)CN(C(=O)OC(C)(C)C)CCO1)B1OC(C)(C)C(C)(C)O1 2268718889 VUCNAHDHENTICR-QFIPXVFZSA-N 454.373 2.285 30 10 JEEE CC(C)(C)OC(=O)N[C@H](Cc1ncns1)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2268723504 VLIUCMIMQDUKDE-LLVKDONJSA-N 481.409 2.368 30 10 JEEE COC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2269698734 YUTUMFOUCDELJL-QGZVFWFLSA-N 452.332 2.281 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2CCO[C@]3(CCCN(C(=O)C(F)(F)F)C3)C2)C1 2281235258 JQDNASXHBGELAW-YFYMUDDPSA-N 473.492 2.075 30 10 JEEE Cn1nc(C(=O)NC[C@@]23CC[C@@H]2CN(C(=O)OC(C)(C)C)C3)cc1B1OC(C)(C)C(C)(C)O1 2281963571 MYNMFEMYCZASFK-IQMFZBJNSA-N 460.384 2.096 30 10 JEEE Cc1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2CO)ccc1B1OC(C)(C)C(C)(C)O1 2282123864 ASTUXXMQMACCKW-GOSISDBHSA-N 460.380 2.348 30 10 JEEE C[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2282345906 RYNBIYLHJYXMSU-BBRMVZONSA-N 476.326 2.206 30 10 JEEE C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CN1Cc1ccccc1 2282350639 PUNJKUUPDDHFRC-IEBWSBKVSA-N 474.436 2.003 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](NC(=O)c2ccc(F)c(B3OC(C)(C)C(C)(C)O3)c2)C1 2282479912 YYADRKSFDKCELV-ROUUACIJSA-N 464.343 2.225 30 10 JEEE CCc1nc(C(=O)N[C@@H]2COC[C@H]2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2282526795 UNJIMGXWTDRZBG-ZIAGYGMSSA-N 481.424 2.274 30 10 JEEE Cn1cc(C(=O)N[C@@H]2[C@@H]3CCCCN(C(=O)OC(C)(C)C)[C@H]32)nc1B1OC(C)(C)C(C)(C)O1 2282552401 QDURHAXRLWHPSI-USXIJHARSA-N 460.384 2.237 30 10 JEEE Cn1cc(C(=O)NC[C@H]2N(C(=O)OC(C)(C)C)CCC2(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2282580651 WOCYLAKFEHYSCD-MRXNPFEDSA-N 462.400 2.485 30 10 JEEE Cc1cc(C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)[C@@H](CO)C2)oc1B1OC(C)(C)C(C)(C)O1 2282585168 ISKARRXYXVUWOJ-CVEARBPZSA-N 464.368 2.235 30 10 JEEE Cn1nc(C(=O)NCC2(F)CCN(C(=O)OC(C)(C)C)CC2)cc1B1OC(C)(C)C(C)(C)O1 2282612201 CXTZTQNZIWLMTH-UHFFFAOYSA-N 466.363 2.188 30 10 JEEE Cn1nc(C(=O)NCC[C@@H](NC(=O)OC(C)(C)C)C(F)(F)F)cc1B1OC(C)(C)C(C)(C)O1 2282612873 WHKPDFSKOIXZLG-CYBMUJFWSA-N 476.305 2.295 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H]1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 2282682355 NWYFMLAEQUHWGU-DLBZAZTESA-N 463.384 2.126 30 10 JEEE CC#CCN(CC(=O)NC[C@H](C)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1)C(=O)OC(C)(C)C 2316016999 QASWECPUTNGCKV-SBUREZEXSA-N 453.580 2.371 30 10 JEEE Cn1c(=O)c2c(nc(NN=Cc3ccc(O)cc3O)n2Cc2cccc3ccccc23)n(C)c1=O 2327744713 HDYZKZGILLTRNB-UHFFFAOYSA-N 470.489 2.492 30 10 JEEE COc1ccc(C=CC(=O)[C@@H]2CNCC[C@H]2NC(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)cc1OC 2328155751 HCPOYSPACCFXLU-ZLGUVYLKSA-N 491.544 2.065 30 10 JEEE COC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1N=Cc1ccc(OC)c(OC)c1 2329035156 NVEAEJKSDZUGLA-HNNXBMFYSA-N 461.544 2.167 30 10 JEEE COc1cc(C=Nn2c(SCCO)nnc2[C@@H]2CC(=O)N(C(C)C)C2)cc(Br)c1O 2329056635 SYNPXEKCJVTELG-CYBMUJFWSA-N 498.403 2.446 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2C[C@H](C(=O)N=c3nc(B4OC(C)(C)C(C)(C)O4)[nH]s3)C[C@@H]21 2334388986 VLTLRQRMOCTCEK-XUXIUFHCSA-N 464.397 2.137 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H](C)CN(C)C(=O)OC(C)(C)C)n1C 2337398277 NKRPTLGPZQXNOU-AWEZNQCLSA-N 450.389 2.261 30 10 JEEE N#CCCNC(=O)C[S@](=N)(=O)c1cc(I)ccc1Br 2338398873 IEQBQXIRXXJVGS-IBGZPJMESA-N 456.103 2.489 30 10 JEEE CN(C)c1ccc([C@H]2c3c(nc(NCc4ccc5c(c4)OCCO5)[nH]c3=O)NC(=O)[C@H]2C#N)cc1 72472493 GKMMLDJJIJMZBO-FXAWDEMLSA-N 472.505 2.443 30 10 JEEE C/C(=N/NC(=S)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc([N+](=O)[O-])cc1 89262924 YCGCUQTZOJPHLY-STZFKDTASA-N 463.541 2.326 30 10 JEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OCC)c(OC)c2)c(=O)n1-c1ccccc1C 603800113 URSPWVVQPJVPLM-UHFFFAOYSA-N 475.570 2.420 30 10 JEEE CC(C)CN1C[C@@H](C(=O)[C@H](C#N)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)CC1=O 729069061 FFYCJCFKLANFRG-PXNSSMCTSA-N 474.583 2.013 30 10 JEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(-c3ccccc3)c2)c(=O)n1-c1ccccc1C 838651185 USRJFWVNZFNYBC-UHFFFAOYSA-N 467.554 2.198 30 10 JEEE N#Cc1ccc(N2C(=O)N[C@H](CCc3nc(-c4ccc(CN5CCOCC5)cc4)no3)C2=O)cc1 904512160 FBEORKQGWCQTTR-OAQYLSRUSA-N 472.505 2.498 30 10 JEEE C=CCS(=O)(=O)CCNC(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCCCN2C)cc1 1198665814 ANRACRZELFIJOX-PYCFMQQDSA-N 456.590 2.002 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC2(C(N)=O)CCCC2)CC1 1286484854 YMBVRONBPOIEMF-UHFFFAOYSA-N 456.978 2.311 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2ccc(Cl)c(OC)c2)CC1 1286485694 VBUWIRCMZHKAQO-UHFFFAOYSA-N 499.015 2.385 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1286495687 CDDRGFKQEBFSBJ-UHFFFAOYSA-N 467.599 2.273 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCCCO2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1286558038 ZMUUKTYOQPYVHV-IHPCNDPISA-N 467.636 2.361 30 10 JEEE C=C(C)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1286594377 OGAORMOBUUVZLJ-UHFFFAOYSA-N 450.591 2.083 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccc(C)n2)n1C[C@]1(O)CCS(=O)(=O)C1 1286740856 YEGOLDGPROQLJE-XMMPIXPASA-N 483.594 2.399 30 10 JEEE C=CCNC(=O)Cn1c(N2C[C@H](C3CC3)O[C@H](C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1286792844 JYQDDCFIRXWJPH-OQIJWPOYSA-N 474.606 2.355 30 10 JEEE CC(C)(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1)c1cccs1 1287093053 FOQDCDVBPHAVMN-YWZLYKJASA-N 482.607 2.092 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@H](C)Oc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1300497429 BKBSXQRCYMLCDR-GHTZIAJQSA-N 483.569 2.497 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1CC(C)(C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 1300500841 DYCYYTJHCRLLBK-FQEVSTJZSA-N 490.699 2.383 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Cl)n2CCCN2CCC(O)CC2)CC1 1300719200 RHWYZBJSBNRIOD-UHFFFAOYSA-N 485.032 2.411 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C(=O)NC)CC1 1300869104 JFHBZFQYPOAIHN-UTKZUKDTSA-N 470.574 2.405 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)[C@@H](C)CC(N)=O 1300879111 ACSAVDABUJNLSI-JKSBSHDWSA-N 479.585 2.356 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1300895484 ABJCFLVMYHYPND-AVRDEDQJSA-N 493.605 2.446 30 10 JEEE COC[C@H]1CCCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCS(=O)(=O)C2)C1 1301250779 HAWWJEUCLAXSHC-VQTJNVASSA-N 473.599 2.416 30 10 JEEE C=CCn1c(-c2ccc(OC)cc2)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1301445724 GHQGKOPJCPKHFG-QRVBRYPASA-N 489.598 2.266 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1301484352 FYDYSWOEBSGCAP-FQEVSTJZSA-N 475.347 2.041 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccn3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)C1 1301553806 SXIDYQFCMUYIPV-TZIWHRDSSA-N 453.591 2.064 30 10 JEEE CC[C@@H](C)N(C)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@@](F)(C#N)C1 1305611952 APOJJHUYLMSQET-IIBYNOLFSA-N 462.599 2.410 30 10 JEEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](c2ccco2)N(C)C)C[C@H]1OC 1316332882 HULTUTDHGOJIOV-ILWGZMRPSA-N 466.542 2.475 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H](C)N(C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1358960262 AKEZACJWQCNHNS-PZJWPPBQSA-N 464.595 2.492 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1CCSCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1358963808 OITVCJHEFWLXIY-VQTJNVASSA-N 460.625 2.342 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCC(=O)N1CCOCC1 1358982291 QSPGIEMJEUTCFP-UHFFFAOYSA-N 463.582 2.476 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCCO3)n2C[C@@H]2CC(F)(F)CO2)n1 1359028239 LYAKZFSGVYEFHH-RBUKOAKNSA-N 464.517 2.427 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCCN1CCC[C@H](C)C1 1359070419 MGUZZNXJENVWCW-YZUZCNPQSA-N 492.690 2.115 30 10 JEEE C=CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC(=O)N(C)C[C@@H]1C 1359199374 SYPCRVASZPLCQZ-KRWDZBQOSA-N 460.604 2.219 30 10 JEEE C=CCCCn1c(-c2ccccc2Br)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1359212336 IUYXCEKGUHSPPM-UHFFFAOYSA-N 486.378 2.009 30 10 JEEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1CCN(C(=O)OC)CC1 1359238508 NFSXVIKIDXYWBP-UHFFFAOYSA-N 451.531 2.293 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC(c2ccnn2C)CC1 1359293998 HLSMUPDHWABXBL-UHFFFAOYSA-N 495.584 2.391 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1359329592 ODMJIXHHXRCWCZ-ZWKOTPCHSA-N 475.615 2.236 30 10 JEEE CC(C)[C@](C)(O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@](F)(C#N)C1 1359647682 FOLOSBLCFGZTQD-RTWAWAEBSA-N 464.567 2.044 30 10 JEEE C#CCN(C(=O)c1cn(Cc2noc(C)n2)nn1)[C@H]1CCOc2ccc(Br)cc21 1435174075 DAZWOGLIHMBUFO-INIZCTEOSA-N 457.288 2.380 30 10 JEEE COc1ccc([C@@H]2[C@H](C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CCC(=O)N2C)cc1 1447480879 GZBLIQXRUGCHKN-XLBJILASSA-N 456.543 2.480 30 10 JEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)CCNC(=O)OC(C)(C)C 1450982238 CKGQYWFSGHVKME-INIZCTEOSA-N 452.577 2.267 30 10 JEEE Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)CSc1nnc(CC#N)n1C 1459057536 AJCYXVCBPYOFMY-UHFFFAOYSA-N 451.350 2.141 30 10 JEEE C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccc(CNS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 1469217117 WHXIPVGVJKMLRQ-UGKGYDQZSA-N 457.552 2.444 30 10 JEEE N#C[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCc2cc(Br)ccc2F)CCO1 1505321079 GBJPMHMCXTVPLU-INIZCTEOSA-N 477.338 2.387 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC1(N2CCOCC2)CC1 1507520127 ASVGRHVDENBDKG-KRWDZBQOSA-N 455.559 2.294 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cn4ccccc4n3)n2CC[S@](=O)CC)c1 1507551118 AUBYVELKPUTFDC-PGUFJCEWSA-N 489.605 2.341 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1Cc1nc(C)cs1)[C@H]1CCS(=O)(=O)C1 1507632760 AMINIOWRCWFCST-SFHVURJKSA-N 459.572 2.448 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1CC(=O)N(C)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1507635293 RKBZZPRQIRRTMS-OAQYLSRUSA-N 497.646 2.216 30 10 JEEE C#CCN(c1nnc(COCC)n1C[C@H]1CCC2(CCCCC2)O1)[C@H]1CCS(=O)(=O)C1 1507637585 LCPKFBKTTAEZFM-RBUKOAKNSA-N 450.605 2.323 30 10 JEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCc1c(C)noc1C 1507648683 QPWHCYLOEIBHTQ-UHFFFAOYSA-N 451.556 2.159 30 10 JEEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCS(=O)(=O)c1ccccc1 1507686805 GJRLXSUKROHFDG-UHFFFAOYSA-N 486.623 2.172 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@@](C)(O)c2ccco2)CC1 1507718319 OFTSOYRKTJQHKR-RUZDIDTESA-N 481.553 2.227 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@@H](C)N2CCC[C@H](C)C2)CC1 1507740635 WDPJWOLNQHDOQH-LEWJYISDSA-N 463.630 2.350 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1N(C)CCCC1(C)C 1507821317 YVAUSQOZZNHZDW-MOPGFXCFSA-N 468.668 2.134 30 10 JEEE C=CC1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(N3CCO[C@H](C)C3)nc2)CC1 1507893047 BLHCVRAARPIIIC-GOSISDBHSA-N 453.591 2.487 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCO[C@H](c2nccs2)C1 1508087519 SNDXJDMVDQBHFG-SFHVURJKSA-N 454.556 2.214 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 1508142815 VHEFBXCJGRQJIA-ZWKOTPCHSA-N 483.635 2.472 30 10 JEEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 1508148650 WDIHCDLAWMIKQW-NRFANRHFSA-N 470.643 2.289 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1508149419 UPKMVPXXHVIFSM-BSRJHKFKSA-N 494.589 2.370 30 10 JEEE CCN1C[C@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)CC)C[C@H]1C 1515818690 FALRLVKCTBJVTC-MSOLQXFVSA-N 460.604 2.082 30 10 JEEE C#CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1539049602 QVHXNIKNSHXMRM-MRXNPFEDSA-N 464.389 2.466 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(c2ncc(C)s2)CC1 1539126540 XPNCLMWCDPTRMZ-GOSISDBHSA-N 478.644 2.173 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1CC1([S@@](C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1539206566 RJAAWKBKJWPRNO-MWOWJKGTSA-N 498.577 2.084 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1539238818 CLFUBQYFCADYKG-QZTJIDSGSA-N 476.002 2.426 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2ccsc2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1539285189 FRNHKHZYJOWFOT-VQTJNVASSA-N 457.625 2.207 30 10 JEEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1539332588 WKGYRATXFJBYCB-OAQYLSRUSA-N 483.551 2.463 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1nnc(C)s1 1539384262 BNMZVRZDVXMXER-AWEZNQCLSA-N 477.591 2.070 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cc(COC(C)(C)C)on2)CC1 1539427633 FOWUINQDWSROBC-UHFFFAOYSA-N 478.557 2.032 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2cn(CCCCC)nc2C)CC1 1539477418 LTQBEENBXSVNSJ-UHFFFAOYSA-N 475.601 2.444 30 10 JEEE C#CCSCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1539498968 ZZRPSCAMUUOHBF-GOSISDBHSA-N 474.606 2.134 30 10 JEEE C=C(Br)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@]2(CCOC2)C1 1539581161 YKVSWTOSJVDECE-LJQANCHMSA-N 483.388 2.253 30 10 JEEE C=C(Br)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(CC(N)=O)CC1 1539595523 CRPGHMVTDDZHIL-UHFFFAOYSA-N 489.422 2.453 30 10 JEEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@]2(CCc3ccccc32)C1 1539731031 WDUCEDNPHCCALX-MBSDFSHPSA-N 475.615 2.159 30 10 JEEE C=C(C)COCCn1c(N2CCN(c3ccc(F)cn3)CC2)nnc1[C@@]1(OCC)CCOC1 1539758922 CHKNRRVXFVTSOO-HSZRJFAPSA-N 460.554 2.384 30 10 JEEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(OCCOC)CCOCC1 1540076859 BQVFCBCFKJARQC-LJQANCHMSA-N 495.621 2.421 30 10 JEEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)Cc1ccccc1C 1540868446 FYWJHKPIJUUVOG-UHFFFAOYSA-N 467.599 2.485 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1540872216 HHBVZBCWOXSVQU-IBGZPJMESA-N 456.978 2.416 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCC(c2ccnn2C)CC1 1540875588 QQTSLHKOZXIKRG-UHFFFAOYSA-N 453.522 2.416 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2ccc3[nH]ccc3c2)C1 1540884864 WJSYWRUBMIPGFG-QFBILLFUSA-N 458.588 2.394 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCS[C@H](CC)C1 1540898679 QZHNTYHLRHYSHS-QGZVFWFLSA-N 484.669 2.281 30 10 JEEE CC(C)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(S(C)(=O)=O)CCC2)[C@H](C)C1=O 1541558229 ATTMQFXKSTUUKY-GOSISDBHSA-N 484.626 2.477 30 10 JEEE CC(C)NS(=O)(=O)CCn1c(-c2cccc(Br)c2)nnc1N1CC[C@@](F)(C#N)C1 1541710161 DVUQSHXWKRIDRY-GOSISDBHSA-N 485.383 2.477 30 10 JEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CO)(Cc2ccccc2)CC1 1587856115 HEVMUGWPJUCKTH-NRFANRHFSA-N 456.612 2.415 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCN1CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1588040226 KASIHFBTYFBLLX-IEBWSBKVSA-N 477.034 2.352 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@]1(O)CCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1588058719 BBPFLSLZJCSYKN-HCLVMJGWSA-N 460.575 2.186 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@@](C)(O)c1cccs1)[C@@H]1CCS(=O)(=O)C1 1588060120 ZYFJDMIBVVYOBQ-IIBYNOLFSA-N 450.630 2.463 30 10 JEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CCc1cnc2c(Cl)cnn2c1 1588162724 YZULIHIDHFWBKF-UHFFFAOYSA-N 478.969 2.281 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCN1CCCS1(=O)=O 1588180708 IWYHDNXKOVYCOF-SFHVURJKSA-N 459.547 2.056 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2C[C@](C)(O)[C@H](C)CC)CC1 1588907822 GXEGBWWGDBPLEI-DWXRJYCRSA-N 481.597 2.479 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCc2cccc(C(=O)NC)c2)CC1 1588929530 CEWWIVSFFQUINI-JOCHJYFZSA-N 478.597 2.088 30 10 JEEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CCc2c(ccnc2N(C)C)C1 1589289787 WZUBSMAYDNKTFE-UHFFFAOYSA-N 460.380 2.446 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C2CCCCC2)C(=O)C1 1589482069 FTMWBIOVHBEPQP-GHTZIAJQSA-N 458.607 2.379 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CCCc2ccccc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1589556164 AOPNVMUFQSNCBN-XJUOHMSHSA-N 453.587 2.386 30 10 JEEE C=C(Cn1c(Cc2ccncc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1)c1ccccc1 1593796079 GQWKKMFMOGPBGD-UHFFFAOYSA-N 473.581 2.151 30 10 JEEE C=C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1594024662 ZCMFFIULBXTUTE-VIKCJLSCSA-N 456.547 2.002 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)Cc1cc(Cl)ccn1 1595496774 GZFDIFHGPBAKOX-UHFFFAOYSA-N 474.974 2.336 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1595773081 PKHYRWXPWIMUQR-GVDBMIGSSA-N 451.980 2.313 30 10 JEEE C=CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@]2(CCOC2)C1 1595851177 YNYYJPPVJKXHBO-QFIPXVFZSA-N 493.655 2.110 30 10 JEEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(S(C)(=O)=O)cc1 1597739263 AWNKAFCYPULQBA-DFQSSKMNSA-N 473.599 2.377 30 10 JEEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCOC[C@H]2c2noc(-c3ccccc3)n2)c1 1611436842 UGLYVNYZZFEMAA-IBGZPJMESA-N 454.508 2.415 30 10 JEEE CCCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1614498903 BAZVNZWZSPXASO-JOCHJYFZSA-N 465.602 2.376 30 10 JEEE COc1cc(OC)c(CCn2c(C(=O)NC(C)C)nnc2N2CCC(C#N)CC2)c(OC)c1 1619121070 CONRRCJFAZBIRF-UHFFFAOYSA-N 456.547 2.425 30 10 JEEE COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCCN1S(=O)(=O)c1ccc(Cl)cc1C#N 1622111304 DOBLWWCJTBFUQN-HNNXBMFYSA-N 457.936 2.385 30 10 JEEE COc1ccccc1[C@H](NC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1nccn1C 1681961117 BNBWGWBZRUFHFY-UNMCSNQZSA-N 458.522 2.490 30 10 JEEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CN(Cc2ccccc2)CCO1 1689974040 ZLPMUUSHJKFTPT-HXUWFJFHSA-N 464.595 2.240 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCN1CCOC[C@@H]1C 1690017687 JIFYANAIIPZPMW-SFTDATJTSA-N 470.618 2.186 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCc2cn[nH]c2)CC1 1690124361 KAIBZEFGAXKQDL-FQEVSTJZSA-N 468.606 2.114 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H]2CCO[C@H]2C(=C)C)CC1 1690137106 NUFOOMOSWNEZOW-CTNGQTDRSA-N 470.618 2.144 30 10 JEEE C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2nc(O)c(C#N)cc2C1)c1ccccc1 1690321704 JDXWXGMZHXHAMV-INIZCTEOSA-N 479.566 2.137 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1)C(C)C 1690581623 VOHMIFFICKTQMJ-FDFHNCONSA-N 471.650 2.427 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1690665963 VEVDHCCWKFMGEM-INIZCTEOSA-N 486.573 2.368 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(c2nc(C)no2)CC1 1690666349 ZZERCWWRYZVQOQ-UHFFFAOYSA-N 467.530 2.340 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H]2CCCOC2)nnc1N1CCCN(S(C)(=O)=O)CC1 1690683894 YKHZZFWLVVSMTF-HXUWFJFHSA-N 475.615 2.257 30 10 JEEE COC(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCn2cc(Cl)cn2)C1 1697061554 GEEYSGGUVJXIIE-INIZCTEOSA-N 455.906 2.278 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CC1(COC)CCC1)[C@@H]1CCS(=O)(=O)C1 1705560896 LUWYRAYXQAZAMZ-HXUWFJFHSA-N 453.568 2.260 30 10 JEEE C#CCN(c1nnc(Cn2ccc3ccccc32)n1CCC(=O)N[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1705568026 FWMNFKZIZZVRJU-TZIWHRDSSA-N 496.637 2.213 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@H](OC)C(C)C)[C@H]1CCS(=O)(=O)C1 1705569612 FFUFHRZKOGSMKA-JXFKEZNVSA-N 466.554 2.445 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1ccc(OC)nc1OC 1705572413 AMSGJWVEWKOMOJ-UHFFFAOYSA-N 478.940 2.395 30 10 JEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1CC(F)(F)CO1 1705574484 FHVGYIBCDABXAU-MRXNPFEDSA-N 462.526 2.044 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccnc3)n2CCCS(=O)(=O)Cc2ccccc2)CC1 1705637896 QBTOUUAYUFTCRO-UHFFFAOYSA-N 464.595 2.100 30 10 JEEE C#CCSCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCCN(S(C)(=O)=O)CC1 1705658681 XKBABPBBRZPVEA-UHFFFAOYSA-N 472.640 2.275 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCS(=O)(=O)CC1CC1 1705670008 FIKSIZKMCLHIHW-JOCHJYFZSA-N 476.624 2.166 30 10 JEEE C=C(Br)Cn1c(N2CCCN(C(C)=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1705692749 RQJLGZVSTDATHW-IBGZPJMESA-N 456.385 2.286 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CCc2ccccc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1705706134 QFHTWFCDMFITKA-UPVQGACJSA-N 494.640 2.218 30 10 JEEE C=CC[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)NC)CC1)c1ccccc1 1705798561 VUBOFMSZZWUXSP-FQEVSTJZSA-N 451.575 2.222 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN(C(=O)c2ccco2)CC1 1705898247 GOWKUSOCBXKHKW-UHFFFAOYSA-N 494.552 2.210 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1705933684 OXGVOEYBXRAUFI-LJQANCHMSA-N 480.656 2.467 30 10 JEEE CC(C)CN1CCO[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)C1 1706516784 GUWLTGWPRBWROL-JQVVWYNYSA-N 488.658 2.431 30 10 JEEE CC[C@H](C)[C@](C)(O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@](F)(C#N)C1 1708339292 GLQRXIBQZGAISW-USCONSEESA-N 478.594 2.434 30 10 JEEE CCO[C@]1(c2nnc(N3CCC(CC#N)CC3)n2CCN2CCN(C)C(C)(C)C2)CCOC1 1710454087 HPXWNXFPNRKCMX-XMMPIXPASA-N 459.639 2.086 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OCC)CCOC3)n2Cc2cc(C)on2)c1 1722304599 ANFRTSQKQIYYIT-DEOSSOPVSA-N 464.526 2.331 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2Cc2conc2COC)c1 1722309233 LPMZVTOQKIVZIH-KRWDZBQOSA-N 450.499 2.021 30 10 JEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(SC)CCN(C)CC1 1722354664 IWINBPPARNYDRO-GOSISDBHSA-N 478.663 2.483 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCOC(C)C)[C@H]1CCS(=O)(=O)C1 1722358966 HJZRVUHIGVOGST-HNNXBMFYSA-N 470.393 2.087 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccc(-c2n[nH]c(C)n2)cc1)[C@@H]1CCS(=O)(=O)C1 1722359894 WZDZKYPFGSRPQE-LJQANCHMSA-N 467.599 2.344 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1cccc(OCC(N)=O)c1 1722375451 CRVKEJRFBBRBGC-UHFFFAOYSA-N 467.327 2.021 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1cnccc1OC 1722380595 RBUJINBOYOTJIF-UHFFFAOYSA-N 453.506 2.200 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CC(=O)N(C)C2CCCCC2)CC1 1722447493 IRPAEUSNRKAWEY-NRFANRHFSA-N 470.618 2.277 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2Cc2cc(C)on2)CC1 1722451004 VIOLMVVCTDAJKL-UHFFFAOYSA-N 452.490 2.307 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2cc(Br)c[nH]2)n1CCN1CCCS1(=O)=O 1722504168 DNTLYZKJIBHBFH-UHFFFAOYSA-N 457.398 2.474 30 10 JEEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(c2ncc3n2CCCC3)CC1 1722529131 PAZCGCXFXZCKQF-SFHVURJKSA-N 491.662 2.398 30 10 JEEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1722531989 YOZKBVJZQUMIJZ-QFIPXVFZSA-N 471.650 2.108 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC(c2ccccc2CO)CC1 1722726958 DEOFJMBDQKWJKP-FQEVSTJZSA-N 460.600 2.259 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1722731329 KIOYWAGCKCLLMN-AZUAARDMSA-N 455.559 2.367 30 10 JEEE CCN1CCN(C[C@H](C)Cn2c(COc3cc(C)ccc3C)nnc2N2CCO[C@@H](C#N)C2)CC1 1728632919 GWMMRKKICZZAPC-GMAHTHKFSA-N 481.645 2.476 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccc(OCC(C)C)cc1)[C@H]1CCS(=O)(=O)C1 1740622617 ZUXJXBJXAIXDQA-NRFANRHFSA-N 482.610 2.388 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1Cc1ccc(F)cn1)[C@@H]1CCS(=O)(=O)C1 1740628919 WLPSYSGDUGXYGT-GOSISDBHSA-N 473.505 2.205 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(CN2CCO[C@@H](C)C2)c1 1740644516 JOHUUXMRZLJPGW-QFIPXVFZSA-N 474.609 2.246 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1Cc1ccc(C(N)=O)nc1 1740652778 MRCSTYWRMUZQIO-UHFFFAOYSA-N 494.559 2.241 30 10 JEEE C=C(Br)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1740747901 AAZMDPBHXCPCLA-HNNXBMFYSA-N 495.403 2.107 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCNC(=O)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740768173 UIZMBIGLCVIXGA-GNBUJSLZSA-N 474.606 2.356 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(Cn2cccn2)c1 1740774533 USVWJNOBYUCODW-JOCHJYFZSA-N 499.641 2.307 30 10 JEEE C=C(C)Cn1c(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)nnc1[C@@]1(OCC)CCOC1 1740786322 ZHNHGISWRMVCJY-JOCHJYFZSA-N 479.578 2.156 30 10 JEEE C=CCC(C)(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1740844798 VDEXXJRSJOXFQJ-UHFFFAOYSA-N 488.658 2.161 30 10 JEEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nc(C)cc(OCC)n2)CC1 1740863509 ACRCKASNEVSSQC-LJQANCHMSA-N 489.646 2.360 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1740959443 VSYFVVXDRFLYFY-GASCZTMLSA-N 471.512 2.222 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1740988855 RNGVASNOLVZHQZ-UHFFFAOYSA-N 485.957 2.129 30 10 JEEE CCC(O)(CC)Cn1c(Cc2cccnc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1744195155 GQFJDXRVFKFVJG-GOSISDBHSA-N 461.574 2.192 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CN(CC(C)C)CCO1 1748652073 WNPPIKNVHVXRLE-TZIWHRDSSA-N 488.658 2.010 30 10 JEEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1748766651 UEWIOLQHKIRQTE-PMACEKPBSA-N 498.994 2.277 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1Cc1cc(F)cc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1748812074 PGLCSHFCBUQMST-GOSISDBHSA-N 457.531 2.106 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1ccc(C[S@@](C)=O)cc1)[C@H]1CCS(=O)(=O)C1 1748818163 WSWLPZPOWJWVKC-PKHCJMHPSA-N 476.668 2.420 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2cccnc2)n1Cc1ccc(CN2CCC(O)CC2)cc1 1748848890 WSADDEAUJNZCGY-UHFFFAOYSA-N 454.578 2.342 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnccn3)n2C[C@]2(O)CCCC2(C)C)n1 1748970716 ONGDVDPXCPITHY-XMMPIXPASA-N 464.574 2.159 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@H]2CC[C@@H](F)C2)CC1 1748979694 JGBBYWMTVGAYKD-UYAOXDASSA-N 474.606 2.089 30 10 JEEE C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1749607998 BVEUOAUHNULEJF-ZDUSSCGKSA-N 457.398 2.330 30 10 JEEE C=CCn1c([C@@H](C)OCCOC)nnc1N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 1749615931 FGBZOMMEYUHCRC-TZIWHRDSSA-N 454.575 2.116 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H](C)CC)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1749687398 QQNIQJUEOXRLMT-OAQYLSRUSA-N 482.629 2.386 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(C)=C(C)C1 1749726773 DIFVIYGGDZELKL-UHFFFAOYSA-N 454.560 2.068 30 10 JEEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1C[C@]1(OC)CCOC1)[C@@H]1CCS(=O)(=O)C1 1760181214 RBGDQXHKCJYLEP-PQNGQFLHSA-N 472.611 2.252 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CCc1ccc(F)c(F)c1)[C@H]1CCS(=O)(=O)C1 1760190090 ODFPEWOARRJISX-IBGZPJMESA-N 471.533 2.412 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](c1cccc(C)c1)N1CCOCC1 1760217807 NFQSBPVTLIZHRK-PKTZIBPZSA-N 460.582 2.074 30 10 JEEE C#CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1(O)CCCCC1 1760244434 VJNNPDPTBBPDJV-UHFFFAOYSA-N 474.631 2.328 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](OCC)c2ccccc2)CC1 1760251842 JENFQEUCQOFRKC-NRFANRHFSA-N 459.554 2.458 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(OC2CCCC2)CC1 1760346338 UIIGOMOBYQGQRQ-IBGZPJMESA-N 453.609 2.115 30 10 JEEE C=C(C)COCCn1c(-c2cccc(C)n2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1760355511 MVWRRNVFKMOQPC-WMZHIEFXSA-N 467.618 2.230 30 10 JEEE C=CCCCn1c(N2CCCN(CC(=O)N3CCCC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1760444763 PZOPBLCOHWPJMC-VWLOTQADSA-N 474.650 2.419 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CCCN(C(=O)C(C)C)CC1 1760527863 KQFGTSYFYDDUHR-UHFFFAOYSA-N 468.602 2.416 30 10 JEEE CCn1nc(-c2nnc(N3CCC(C#N)CC3)n2CCC(=O)NC(C)C)c2ccccc2c1=O 1765579639 DLSPKOIJCKJUEM-UHFFFAOYSA-N 462.558 2.330 30 10 JEEE CNC(=O)[C@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1CC1(SC)CCOCC1 1767598452 HBHBMCLMUOLORM-QGZVFWFLSA-N 472.615 2.459 30 10 JEEE Cc1c(C(=O)NCCCN2CCOCC2)oc2c1C(=NNS(=O)(=O)c1ccc(F)cc1)CCC2 1772750966 DWXVFIYIGWYMQE-UHFFFAOYSA-N 492.573 2.198 30 10 JEEE CSCC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)ON1C(=O)c2ccccc2C1=O 1772792358 LOLNRHXBDNLYJO-MRXNPFEDSA-N 468.940 2.494 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)COc3cccnc3NC(=O)N3CCC[C@@H]3C(=O)O)cc21 1858807333 SEVQKBWGNNEIBD-MRXNPFEDSA-N 480.477 2.336 30 10 JEEE C=CCOc1ccccc1[C@H]1C(C(=O)N(C)CC(=O)OCC)=C(N)Oc2c1c(CC)nn2C 1865224607 HWALARSGRLRWJU-LJQANCHMSA-N 454.527 2.263 30 10 JEEE COc1ccc(OC)c(NC(=O)[C@H](CO)NC(=O)C2CCN([C@H](C#N)c3cccs3)CC2)c1 1866866450 HSEDATFFQKZGCG-RBUKOAKNSA-N 472.567 2.158 30 10 JEEE CC(=O)Nc1ccc(C)c(-n2nnc(C#N)c2NC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)c1 1870142962 PLTQCYVZBDMJFS-CYBMUJFWSA-N 457.450 2.029 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCCN(CC)CC)cn1Cc1ccncc1 1870535073 DYDVPOIBACWHOK-UHFFFAOYSA-N 467.614 2.302 30 10 JEEE C=CCn1c(C(=O)NCCCN2CCOCC2)cc2c(N(CCO)Cc3ccccc3)ncnc21 1873594000 JWWUSBNPLGOSFT-UHFFFAOYSA-N 478.597 2.068 30 10 JEEE COCc1nnc(SCC(N)=O)n1/N=C/c1ccc(OC(=O)c2ccccc2)c(OC)c1 1874499096 JQXAXSJYOLBCOO-FOKLQQMPSA-N 455.496 2.112 30 10 JEEE CCN(CC)CC#CCNC(=O)C[C@H]1CSc2nc3c(cnn3-c3ccccc3)c(=O)n21 1889752820 IDEZHKCLOACXRP-SFHVURJKSA-N 450.568 2.081 30 10 JEEE CC(C)N1C(=O)CS[C@@H](C(=O)NCC2(O)CSCCSC2)[C@H]1c1ccc(C#N)cc1 1889980179 LWHUDKKZHCJLJZ-RTBURBONSA-N 465.666 2.279 30 10 JEEE CC(C)(C)OC(=O)N1Cc2nccn2C[C@H](C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C1 2181112258 MRIKSEYWTCLEEI-LEWJYISDSA-N 464.570 2.487 30 10 JEEE Cc1csc(C(=O)NC2(CNC(=O)OC(C)(C)C)COC2)c1B1OC(C)(C)C(C)(C)O1 2255837083 JMLWYAWQRCVFCP-UHFFFAOYSA-N 452.382 2.379 30 10 JEEE CC(C)(C)OC(=O)N(CC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)C1CCCC1 2256617897 NAVGOGYEDBPTTO-UHFFFAOYSA-N 452.386 2.377 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@]1(C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2256666236 RJWDJDSQFTYKDN-HXUWFJFHSA-N 453.370 2.407 30 10 JEEE CC(C)(C)OC(=O)NC1CC(O)(C(=O)NCc2sccc2B2OC(C)(C)C(C)(C)O2)C1 2256672152 CJTONHPGFJWTPW-UHFFFAOYSA-N 452.382 2.082 30 10 JEEE CCC[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nn(C)c1C 2267141423 WSFQMZAEQZZLAJ-OAHLLOKOSA-N 450.389 2.451 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CCS(C)(=O)=O)C(=O)N1CCC(=CB2OC(C)(C)C(C)(C)O2)C1 2268637031 JHYRAYCBJNGPIW-MRXNPFEDSA-N 472.413 2.105 30 10 JEEE CC(C)[C@H]1[C@@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)CCN1C(=O)OC(C)(C)C 2268718109 ORQYRRQKCFADSQ-KBPBESRZSA-N 466.413 2.479 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](O)CN1C(=O)c1c(F)cccc1B1OC(C)(C)C(C)(C)O1 2281769600 GVQOAIQTDBEGHF-LSDHHAIUSA-N 464.343 2.225 30 10 JEEE CC1(C)OB(c2cc(F)ccc2C(=O)NC[C@H]2CNCCN2Cc2ccccc2)OC1(C)C 2281792240 TXCLGYIMDQWTPG-HXUWFJFHSA-N 453.367 2.329 30 10 JEEE Cc1c(C(=O)N2C[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281803447 XDMAGEBCMGVQGA-HUUCEWRRSA-N 462.400 2.498 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1C[C@H](F)CN(C(=O)OC(C)(C)C)C1 2281964611 ACCSJFUGKDEHFC-LSDHHAIUSA-N 466.363 2.280 30 10 JEEE CC(C)(C)OC(=O)N1CCC([C@@H](F)CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CC1 2281980023 RMBMFDNZEMXZCE-HNNXBMFYSA-N 466.363 2.424 30 10 JEEE 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]1F 2282005048 NKXSENMZBUOOKE-LSDHHAIUSA-N 466.363 2.105 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1CCCN(S(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282350842 SJPZFQIZBZUGSJ-MRXNPFEDSA-N 481.424 2.306 30 10 JEEE Cc1nn(C)c(C(=O)N2C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C2)c1B1OC(C)(C)C(C)(C)O1 2282559405 PAXPBVSLFNMXEU-OAHLLOKOSA-N 462.400 2.403 30 10 JEEE CC(C)(C)OC(=O)N1CCC(NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)(C(F)F)CC1 2282600846 WJRNVUMQVPKANY-UHFFFAOYSA-N 470.326 2.474 30 10 JEEE Cn1nc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C3(CCC3)C2)cc1B1OC(C)(C)C(C)(C)O1 2282613413 AXPCVUJDHALQCG-OAHLLOKOSA-N 460.384 2.381 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](OCCNC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2282668837 LJPOLMOTGPVFSY-INIZCTEOSA-N 461.368 2.137 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(C(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)c1 2282679738 DRXCWUDRJKCUOY-HKUYNNGSSA-N 460.380 2.252 30 10 JEEE CO[C@@H]1C[C@@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)N(C(=O)OC(C)(C)C)C1 2283955591 MKAYPGJWWZPRLZ-ZBFHGGJFSA-N 465.331 2.483 30 10 JEEE CCO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2283968822 NCHDCHAKPSQPIS-HZPDHXFCSA-N 481.424 2.331 30 10 JEEE Cn1nccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2283975598 ZGWNGHMDDFRVAO-QGZVFWFLSA-N 457.340 2.319 30 10 JEEE CC(C)(C)OC(=O)NCCCC[C@@H](NC(=O)c1occc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2289796358 MEADTXZRJMXDGN-OAHLLOKOSA-N 466.340 2.457 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1C 2362332157 LVUITLSZVZHSAF-OAHLLOKOSA-N 462.400 2.499 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@]23CC[C@@H](C2)N(C(=O)OC(C)(C)C)C3)n1C 2369671670 BGGQOJKDCMCZJQ-WNSKOXEYSA-N 460.384 2.300 30 10 JEEE Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 18039262 ZSMKBVXLKNMNFX-UHFFFAOYSA-N 477.546 2.077 30 10 JEEE CCCCCCCNC(=O)CN1C(=O)CSc2ccc(S(=O)(=O)N3CCOCC3)cc21 38150050 WMQTWJJHBKRYHA-UHFFFAOYSA-N 469.629 2.233 30 10 JEEE COc1ccccc1[C@H]1c2c(nc(NCc3ccc4c(c3)OCCO4)[nH]c2=O)NC(=O)[C@H]1C#N 72472417 SSKYCVIDFXHJDR-HNAYVOBHSA-N 459.462 2.386 30 10 JEEE Cc1nc2ccccn2c1/C(O)=C1/C(=O)C(=O)N(CCCN2CCOCC2)[C@H]1c1ccncc1 102487339 LEDZNVXNZMOSMT-MBDQKHHZSA-N 461.522 2.182 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)[C@@H](C)OC(=O)c3ccc(-n4nnnc4C)cc3OC)cc21 586271227 IZDPAWXPXYSNHN-CQSZACIVSA-N 477.477 2.319 30 10 JEEE COc1ccc([C@@H](CNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)N2CCCC2)cc1 610089928 CKNLDHGBJAEKFN-HSZRJFAPSA-N 497.621 2.420 30 10 JEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CC3(CCOCC3)[C@@H]2c2cnn(CC(C)C)c2)c1 849526587 DFDCOEPSLCINGA-QFIPXVFZSA-N 470.595 2.445 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)OCC(=O)N2CCN([C@@H](C)c3ccccc3)CC2)ccc1F 914659175 KLRCBCVZPRZGEW-SFHVURJKSA-N 489.569 2.352 30 10 JEEE COc1ccc(C[C@](C)(O)CNC(=O)CCc2c(C)nc3c(C#N)cnn3c2C)cc1OC 1160305099 HYOFIGDSAYSBPE-DEOSSOPVSA-N 451.527 2.278 30 10 JEEE C=CCC1(NCC(=O)N2CCN(S(=O)(=O)c3cc(OC)ccc3OC)CC2)CCCC1 1174593613 VYZVIBVWNLNMCH-UHFFFAOYSA-N 451.589 2.015 30 10 JEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(=O)c2ccccc2)CC1 1286322846 HHDJFSYOXVAXSX-NRFANRHFSA-N 469.611 2.336 30 10 JEEE C#CCCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(C(=O)NCCOC)CC1 1286325186 XJNOBRWRORFXFP-UHFFFAOYSA-N 477.569 2.376 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCCc1nccs1)[C@H]1CCS(=O)(=O)C1 1286389380 IYFHQYRPKCDJEJ-KRWDZBQOSA-N 456.597 2.365 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1cccnc1OC 1286408959 LXEJKCCYNCFDOX-UHFFFAOYSA-N 453.506 2.200 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCN1CCC[C@@H]1C 1286462137 DKHYZUFMCKZYBX-IBGZPJMESA-N 463.586 2.245 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2CCS(=O)(=O)Cc2ccccc2)CC1 1286485883 BOOCLLCOBBDBOQ-LJQANCHMSA-N 471.627 2.372 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2Cc2nccc(C(F)F)n2)CC1 1286490899 WGXOFJIYBDSDSV-UHFFFAOYSA-N 466.496 2.390 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2cccc(OCCN(C)C)c2)CC1 1286492802 JDFOAFARADLUOK-HSZRJFAPSA-N 494.640 2.127 30 10 JEEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1 1286542753 XEWAUBGONMPNKE-LIRRHRJNSA-N 485.379 2.326 30 10 JEEE C=C(Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1)c1ccccc1 1286616729 BXDZWQIXHRQOJD-RZUBCFFCSA-N 473.643 2.439 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1286781875 CWAAHCHSOOJUOH-MNOVXSKESA-N 468.333 2.185 30 10 JEEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1286785424 FHLHAJCYJITLTH-WFASDCNBSA-N 477.447 2.052 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccc3OC)n2C[C@H]2CCCS(=O)(=O)C2)C1 1286807028 IPCFXJPGYOCBML-UYAOXDASSA-N 460.600 2.484 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCCO3)n2CCCN2CCC[C@H]2C(=O)N(C)C)C1 1286808089 AOORLDXMPAPFHN-QHAWAJNXSA-N 460.623 2.244 30 10 JEEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1286823697 PUSJVJGXIMQBLN-LJQANCHMSA-N 470.647 2.061 30 10 JEEE C=CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@H](COC)C1 1286833170 WLQPUZITQXEFIO-IBGZPJMESA-N 459.620 2.223 30 10 JEEE C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1)N1CCOCC1 1288606536 FTFYCTWJIRDHSA-APWZRJJASA-N 491.518 2.042 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1CC1([S@](C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1300489923 WCEMZTCBJPYBOF-JGVYIQDASA-N 485.006 2.275 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](C)Oc2ccccc2C)CC1 1300719527 DZJLAXOGFRTFLC-IBGZPJMESA-N 461.570 2.420 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2Cc2csc([C@@H](C)OC)n2)CC1 1300725801 DPXBIDMQPOFACO-QGZVFWFLSA-N 479.610 2.442 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(OC)cc3)n2CCc2nccnc2C)CC1 1300730644 DQVUCEALITZBGZ-UHFFFAOYSA-N 489.580 2.173 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCCO2)nnc1N1CCC(NS(C)(=O)=O)CC1 1300883502 BUFLVDZTBKKMJR-QRQLOZEOSA-N 453.609 2.019 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCN(C(=O)OC)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1300897465 RSDUBFORCYFENB-SFYKDHMMSA-N 463.579 2.188 30 10 JEEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C(C)(C)C)C1 1300991406 SLJYTJYJHFRQSW-QZTJIDSGSA-N 455.625 2.076 30 10 JEEE C=C(Cn1c(C)nnc1N1C[C@@H]2[C@@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1)c1ccccc1 1301003273 ILZZWTPDFASMHV-AABGKKOBSA-N 473.599 2.426 30 10 JEEE C=CC1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)CC1 1301107997 LGPLNOOXVHYABU-LJQANCHMSA-N 454.550 2.400 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl 1301479214 WHRVMULEAINCHB-ORAYPTAESA-N 464.357 2.248 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCN(CC2CCOCC2)CC1 1301491950 SFNMRVGATFETHX-UHFFFAOYSA-N 458.994 2.449 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CC(=O)N[C@H]3CCCC[C@@H]32)cc1 1301519871 AGUPEAVPQOCGID-PMACEKPBSA-N 452.559 2.277 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[C@@H](C)N2CCCCC2)C1 1301556610 INIYOKZJPOCFCD-VAMGGRTRSA-N 451.637 2.226 30 10 JEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N(C)Cc1ccc(F)c(Cl)c1 1301585437 AUJMHNBVFRUKEC-UHFFFAOYSA-N 469.970 2.430 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(c2cc(C)ccc2C)CC1 1301588643 IFBSXKXYBMQUFC-FQEVSTJZSA-N 459.616 2.326 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1301589689 WGVLPCVAZUMENE-UHFFFAOYSA-N 480.723 2.462 30 10 JEEE CCC(CC)(Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@H](C#N)C1)OC 1305692462 FGOYHLHOUICOTP-MRXNPFEDSA-N 451.531 2.126 30 10 JEEE CCC[C@@](C)(O)Cn1c(CN2CCCC2=O)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1306546124 FWKQKAQAAGSLHL-RUZDIDTESA-N 465.602 2.145 30 10 JEEE COC(=O)[C@@H](CNS(=O)(=O)c1cc(Br)cc(C#N)c1)Cc1ccc(O)cc1 1309225098 AXBVKXRJROTDBX-CQSZACIVSA-N 453.314 2.337 30 10 JEEE C#CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1358927081 MOHUIOUGWOWSNN-LJQANCHMSA-N 492.605 2.276 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1358958902 YCKFIEARTWZDAM-NRFANRHFSA-N 486.598 2.356 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H](CC)OC)[C@@H]1CCS(=O)(=O)C1 1358959176 DCTIZUQADRGFQU-MSOLQXFVSA-N 462.572 2.014 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1CCCN(C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1358960949 PBGFVBVJCNUOFQ-OAQYLSRUSA-N 464.595 2.493 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)CCCN2C 1358994734 VHSSYBSSWRFRQL-OAQYLSRUSA-N 451.596 2.074 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CC2CN(C(=O)OC(C)(C)C)C2)CC1 1359046603 YGEMQKDROHLEJK-UHFFFAOYSA-N 493.612 2.097 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(CS(C)(=O)=O)CC1 1359064889 CCWQUDJJYMFFFU-IRLDBZIGSA-N 450.605 2.136 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(N(C)C(C)=O)CC1 1359091393 MSFGHQDRRYGCDO-GHTZIAJQSA-N 467.574 2.354 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1359102771 FQZPCHFAVXVGSU-FXAWDEMLSA-N 498.550 2.277 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(OC)c(F)c1 1359113134 ANGMTWKZFYILBE-HXUWFJFHSA-N 481.594 2.404 30 10 JEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccc(N3CCCC3=O)c2)CC1 1359159283 RXIDJOIIPKFCOX-QGZVFWFLSA-N 458.588 2.220 30 10 JEEE C=CCCCCn1c([C@H]2CCOC2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1359203211 KQYMBPBLHQVWSG-FQEVSTJZSA-N 458.607 2.079 30 10 JEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2cc(Br)ccc2C1 1359287697 QUPGLSYIUKIYIU-QGZVFWFLSA-N 482.404 2.122 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1359293507 RQLPVQJLGSNEFN-KRWDZBQOSA-N 489.418 2.168 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N(C)CCN1CCOC(C)(C)C1 1359296247 CADCBZBILHENKH-UHFFFAOYSA-N 463.586 2.343 30 10 JEEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCN(C(=O)Cc2ccccc2C)CC1 1359299614 JTYCKCZQSGGOKN-UHFFFAOYSA-N 450.587 2.438 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H](C(N)=O)C1 1359304431 XYQINDRZKCZVIO-QGZVFWFLSA-N 454.575 2.159 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1359328867 QDIBZUWCHRYHOL-GJZGRUSLSA-N 475.036 2.457 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCO[C@@H](c2cccc(OC)c2)C1 1359330033 DTAJGOBLYBXVKF-OAQYLSRUSA-N 471.583 2.471 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(COCC(F)(F)F)cc1 1360247676 DYVBFIPNRGJLJG-KRWDZBQOSA-N 466.464 2.272 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CCN1CCc2ccccc2C1 1360677881 HSHKGWIGFHNIPB-GOSISDBHSA-N 471.631 2.077 30 10 JEEE Cc1nn(C)c(N2CCN(c3nnc(C(C)(C)C)n3Cc3ccc(S(C)(=O)=O)cc3)CC2)c1C#N 1492727057 GIOLUZUKISQYGD-UHFFFAOYSA-N 496.641 2.268 30 10 JEEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(C(N)=O)CCCC2)C[C@H](C)O1 1504734199 GAPGTDNITGITQW-PXNSSMCTSA-N 468.558 2.015 30 10 JEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(Oc2cncc(Cl)n2)CC1 1507589222 UXLWWKDLAGSQMH-HNNXBMFYSA-N 464.979 2.085 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1Cc1ccc(F)c(COC)c1)[C@H]1CCS(=O)(=O)C1 1507629778 PZFGLIBHBXLHTG-IBGZPJMESA-N 471.558 2.244 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@H]1CCCN(C(C)C)C1)[C@H]1CCS(=O)(=O)C1 1507636020 XEUGRWOUQMAKRM-VXKWHMMOSA-N 470.643 2.011 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2CCc2c(OC)cc(OC)cc2OC)CC1 1507738713 WMPOSWFZYWDUDF-UHFFFAOYSA-N 467.570 2.390 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCc2ccc(OC)cc2)CC1 1507739090 MLSVITWIIMGGMV-OAQYLSRUSA-N 451.571 2.389 30 10 JEEE C#CCSCCn1c(N2CCN(Cc3csc(C)n3)CC2)nnc1[C@@]1(OCC)CCOC1 1507757763 BRXJHODSKXQNSN-JOCHJYFZSA-N 476.672 2.384 30 10 JEEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)N2CCCC2)CC1 1507790973 GGKKAHADWUKPII-IRXDYDNUSA-N 483.411 2.249 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1507801932 ZEBYTTXIXTZXRT-UYAOXDASSA-N 454.579 2.300 30 10 JEEE C=C(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1507833433 SDQFBXKJEZVUIN-FQEVSTJZSA-N 454.623 2.239 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1507915310 BDWYRNNMUWVIHF-IBGZPJMESA-N 469.615 2.376 30 10 JEEE C=CCn1c(CSc2ccccc2OC)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1508066217 KBJWENBZWQUDJK-UHFFFAOYSA-N 490.611 2.405 30 10 JEEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC(CNS(C)(=O)=O)CC1 1508067678 NWFRBQJNGYXMAB-KRWDZBQOSA-N 468.624 2.302 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1508073833 PPAKCDGHBHWNDE-PDSXEYIOSA-N 493.406 2.121 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CC[C@](C)(C(N)=O)C1 1508077635 PDPOEYLPPVBONO-IBGZPJMESA-N 481.782 2.365 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](n2cncn2)C1 1508097003 FVKRCKUFJMKYOM-MSOLQXFVSA-N 485.593 2.085 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCCN(CCC)C(=O)C2)cc1 1508100991 SBRWOFIGTXAERF-FQEVSTJZSA-N 452.559 2.291 30 10 JEEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)c1cccc(O)c1 1508159929 CBTIQUQAAZORDE-QFBILLFUSA-N 481.644 2.433 30 10 JEEE C=CCSCCn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1508161898 IICBYKLEWYGKGT-UHFFFAOYSA-N 484.670 2.077 30 10 JEEE N#Cc1ccc(OCc2nnc(N3CCNC(=O)C3)n2CCOc2cccc(C(F)(F)F)n2)cc1 1521109398 AMYQPRZFBKGUHZ-UHFFFAOYSA-N 487.442 2.158 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1CCS(=O)(=O)C1 1539015156 SZJDCFRBMSNSHG-BZSNNMDCSA-N 465.620 2.285 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1CCCOC[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1539211811 PLIPECGOCNOOEN-LEWJYISDSA-N 472.611 2.323 30 10 JEEE C#CCN(c1nnc(C2CCC2)n1CC1CCN(CC(F)(F)F)CC1)[C@H]1CCS(=O)(=O)C1 1539222629 WXKQCKCMRYYCFR-SFHVURJKSA-N 473.565 2.447 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1Cc1cccnc1OC)[C@@H]1CCS(=O)(=O)C1 1539229594 FCLALOGGMRQLMR-HXUWFJFHSA-N 481.578 2.244 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@@H]2CCCN(CC(C)C)C2)CC1 1539476969 IJAATUNNUCKYFK-HXUWFJFHSA-N 464.618 2.069 30 10 JEEE C#CCSCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CC(=O)N(C)C[C@@H]1C 1539510675 MHSSZFHHWFQLTR-KRWDZBQOSA-N 479.610 2.098 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1539622349 WNQYHDOAMVMZHI-REWPJTCUSA-N 497.600 2.481 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1539689027 ZTALPNPPORGEHL-UHFFFAOYSA-N 496.593 2.466 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1NC(=O)CC1(C)C 1540146314 CVVCHCSPBQFJMP-NVXWUHKLSA-N 463.629 2.349 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1540865357 COWOBWUBRUVBGT-CVEARBPZSA-N 476.331 2.432 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H]1CSC 1540898693 RKOYHBHBPBFEHS-KRWDZBQOSA-N 484.669 2.281 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1540898909 YKLGERPIQCLBNC-CQSZACIVSA-N 494.419 2.364 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](COC(C)C)C1 1540899940 FTIUGQRMRDTALU-FQEVSTJZSA-N 459.572 2.048 30 10 JEEE CCCCN(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@H]2C1 1547007927 CNEDANZPGGLESA-LJQANCHMSA-N 453.547 2.101 30 10 JEEE COCCNC(=O)[C@H]1CN(C(=O)c2cccnc2)CCN1c1ccc(C#N)c(C(F)(F)F)c1 1548368129 WRITUYWCMRLWDI-LJQANCHMSA-N 461.444 2.066 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NS(=O)(=O)c2cc3c(cc2Cl)CCC(=O)N3)C1 1561453201 BWHBPQZJPSEHCN-DOMZBBRYSA-N 454.936 2.262 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H](OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1588028986 BMUFYAYRPHNVIB-NHCUHLMSSA-N 485.610 2.199 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1CCCCCOC)[C@@H]1CCS(=O)(=O)C1 1588044844 CAUZDKAVMHJNBP-LJQANCHMSA-N 474.583 2.160 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@H]1CN(CC(C)C)CCO1)[C@H]1CCS(=O)(=O)C1 1588058750 BTGIAAKQPCMILQ-BJKOFHAPSA-N 499.681 2.161 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1ccc(OC)c(OCC)c1)[C@H]1CCS(=O)(=O)C1 1588065203 VYBOARYBCSAOKL-NRFANRHFSA-N 495.605 2.346 30 10 JEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCN(C)C(=O)OC(C)(C)C 1588138210 ABQPETNEKJJFQS-UHFFFAOYSA-N 478.601 2.392 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1([S@](C)=O)CCC1 1588550146 JGZHNAMWGLJMNG-OKXSDPAFSA-N 478.615 2.260 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](c2ccsc2)N(C)C)CC1 1588929808 HEHIVVIFHLQLIP-QUCCMNQESA-N 456.616 2.112 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1ccc(C)cc1)N1CCCC1 1594963641 WBVCYJSYZSCGLC-VXKWHMMOSA-N 488.658 2.379 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O)C(C)C 1595170891 MBPKZBQEGCAPOH-NHCUHLMSSA-N 499.660 2.391 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cc(OC)c(OC)c(OC)c2)C1 1595714375 NOFQMXYPMOPFOL-IAGOWNOFSA-N 457.531 2.085 30 10 JEEE CC(C)(C)OC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)CC1 1597660432 HKYDFXXUXRJMMX-UHFFFAOYSA-N 482.585 2.371 30 10 JEEE CCN(CC)C(=O)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(C)=O)CC1 1615321634 CIOBEDJLDAKCOC-UHFFFAOYSA-N 467.574 2.046 30 10 JEEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CCC(CC(=O)N2CCN(C)CC2)CC1 1627400693 LNRLKMFUQOBYTD-UHFFFAOYSA-N 451.571 2.453 30 10 JEEE C[C@H](CC(=O)N1CCOC[C@@H]1CC(=O)c1ccccc1)/N=C1/NS(=O)(=O)c2ccccc21 1631033318 DPTGZXPMCZTHDJ-AEFFLSMTSA-N 455.536 2.004 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](C)N1CCOCC1 1649538400 CTMFWWYKNQZDKM-GOSISDBHSA-N 461.636 2.361 30 10 JEEE C=CCN1CCC(NS(=O)(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)cc2)CC1 1661998266 ZRVCEMLNSYOEBG-HDICACEKSA-N 455.646 2.282 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1689848028 NFNRXGIOVGEYOI-DLBZAZTESA-N 454.556 2.340 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1(S(C)(=O)=O)CC1 1689866588 GGRZPILWAYUVQJ-CVEARBPZSA-N 451.593 2.385 30 10 JEEE C#CCN(C)c1nnc(COc2ccc(OC)cc2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1689975267 QEDVMANYKJWMBP-GHTZIAJQSA-N 473.599 2.139 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCOC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1689984778 VMAOSIAGSSKEAT-BPQIPLTHSA-N 463.991 2.293 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC[C@H]2CCCCO2)CC1 1690124348 JORRXJOXQFKCJN-RTWAWAEBSA-N 488.633 2.301 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CC(C)(C)N2C[C@@H](C)C[C@H](C)C2)CC1 1690135391 VQDSSDXJFFZBIH-PMACEKPBSA-N 485.677 2.139 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2cccc(NC(C)=O)c2)CC1 1690137447 ZCEDGISQCPIUQF-UHFFFAOYSA-N 493.612 2.169 30 10 JEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)CC1CN(C(=O)OCc2ccccc2)C1 1690170524 MCSATCYDJLFDIF-FQEVSTJZSA-N 482.610 2.300 30 10 JEEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCC(Cn2cncn2)CC1 1690220405 XWSIPPYTFWWIRI-OAHLLOKOSA-N 454.373 2.419 30 10 JEEE C=C(Br)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(CCC#N)CCOC 1690223044 CHRMDHOAGKPEGP-UHFFFAOYSA-N 458.324 2.196 30 10 JEEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(N(C)C(=O)OCC)CC1 1690464485 CEZFYJGUEHURFD-LJQANCHMSA-N 498.650 2.024 30 10 JEEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1690484670 AYALHZXLFGTYST-KRWDZBQOSA-N 460.560 2.381 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Br)cc2)nnc1N(C)C[C@H](C)C(=O)NC 1690717638 MAGBNVVFWWLHHD-AWEZNQCLSA-N 484.420 2.127 30 10 JEEE CCN(CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2CCC2)CC1)S(C)(=O)=O 1695738850 HVFBVTLDGKUPSO-UHFFFAOYSA-N 471.631 2.163 30 10 JEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(=O)c2cccc(C)c2)CC1 1705509217 COXSRQXKZCKQHY-FQEVSTJZSA-N 486.642 2.353 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1Cc1cccnc1OC)[C@H]1CCS(=O)(=O)C1 1705562383 BEJAHGXIXOTQQC-KRWDZBQOSA-N 472.958 2.072 30 10 JEEE C#CCN(c1nnc(C2CCC2)n1CCOCC(F)(F)C(F)F)[C@@H]1CCS(=O)(=O)C1 1705565941 KWUYRRNYJKOLFY-CQSZACIVSA-N 452.474 2.089 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC(C)(C)N2CCOCC2)CC1 1705633529 SFQQZXHMQXSCSW-HXUWFJFHSA-N 470.593 2.423 30 10 JEEE C#CCSCCn1c(N2CCN(Cc3nc(C)c(C)o3)CC2)nnc1[C@@]1(OCC)CCOC1 1705665117 KCMVNEHKVBSGCA-HSZRJFAPSA-N 474.631 2.224 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1705700632 WOEVGQUMNBZTRV-HKBOAZHASA-N 493.674 2.245 30 10 JEEE C=C(C)COCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1705735290 NDHAZIAFUHTYQB-HXUWFJFHSA-N 489.646 2.058 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N(CC)Cc1nc(O)c2ccccc2n1 1705735797 FSUZUYUBFRLQPF-SFHVURJKSA-N 451.531 2.497 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCC[C@H](NC(C)=O)C2)cc1 1705909362 UZGXZLGFALFWOA-FQEVSTJZSA-N 452.559 2.232 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@]2(O)CCOC2)C1 1705929019 YJIADTYXIBXRIO-IEGUWTFLSA-N 463.579 2.283 30 10 JEEE C=CCS(=O)(=O)CCn1c(CSc2ccc(C)cc2)nnc1N1CCN2CCOC[C@@H]2C1 1705938750 ILOQRANDJBDBLZ-IBGZPJMESA-N 477.656 2.000 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(NC(=O)c2ccco2)cc1 1722275109 BXXMARVQWGLFTB-HZPDHXFCSA-N 470.555 2.240 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1Cc1ccc(C#N)o1)[C@@H]1CCS(=O)(=O)C1 1722366094 PELMKZGZGYJDNH-GOSISDBHSA-N 465.535 2.017 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CC(C)(C)COC)[C@H]1CCS(=O)(=O)C1 1722371257 IGEODRPZSDZBHH-IBGZPJMESA-N 471.583 2.028 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1CCn1cc([C@@H]2CCOC2)cn1 1722386704 IGGLQNHUKARUFL-OAQYLSRUSA-N 455.522 2.202 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(Br)cn2C)n1CCC1(O)CCOCC1 1722395119 QZOHISPMIHAVPM-UHFFFAOYSA-N 460.376 2.441 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC[C@H]2COCCO2)CC1 1722444368 YEDJTMDATHITPV-FQEVSTJZSA-N 489.523 2.318 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)NC)CC1 1722494429 MJTXKDQMUBCZPE-MJGOQNOKSA-N 455.519 2.296 30 10 JEEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(C)=O)C[C@H]1C 1722552556 RWOZGQHAPDSHPT-WBVHZDCISA-N 468.986 2.396 30 10 JEEE C=C(Cl)Cn1c(N2CCN(CC(=O)N[C@@H](C)CC)CC2)nnc1[C@]1(OC(C)C)CCOC1 1722558751 XIFUSCFIDHTKBS-AVRDEDQJSA-N 469.030 2.108 30 10 JEEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 1722620563 SIFHTOLLEDRYAZ-LEWJYISDSA-N 471.650 2.184 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@@H](C)[C@@H]1C 1722729325 YZIJOKQMUNYKGK-MSOLQXFVSA-N 459.620 2.288 30 10 JEEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](n2cncn2)C1 1740590126 FPESNQSAMMAOCT-MOPGFXCFSA-N 470.578 2.433 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1snnc1C 1740657679 VRKFAXUFFPIZCC-KRWDZBQOSA-N 471.587 2.258 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(OC[C@H]2CCCCO2)CC1 1740717732 ZQPSLYMGNIOJHM-AZUAARDMSA-N 482.672 2.101 30 10 JEEE C=C(C)COCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1740788860 YLZKTAAYNGIUOY-QFIPXVFZSA-N 480.613 2.340 30 10 JEEE C=CCN(CCOC)c1nnc(-c2cccnc2)n1CC(=O)N1CCN(c2ccccc2)CC1 1740939922 MUMAFWRKWXNWFY-UHFFFAOYSA-N 461.570 2.328 30 10 JEEE C=CCn1c(-c2cc(Br)cn2C)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1740943990 JQKMVDIZSDSQSW-UHFFFAOYSA-N 457.398 2.092 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)nnc1[C@]1(OCC)CCOC1 1740964684 GROLXJVTCDKHNM-KOSHJBKYSA-N 492.621 2.068 30 10 JEEE CC(C)C[C@H](Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCO[C@@H](C#N)C1)N(C)C 1741423826 ACWPYCMBIFBKME-RPBOFIJWSA-N 494.688 2.348 30 10 JEEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1748745905 YZKWSQCDGOVYRV-KRWDZBQOSA-N 478.644 2.055 30 10 JEEE C#CCN(c1nnc(C(C)C)n1Cc1cn(C)nc1-c1ccccc1)[C@H]1CCS(=O)(=O)C1 1748802703 RJVUDHDKLHFEAS-FQEVSTJZSA-N 452.584 2.477 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1CCN(C)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 1748811628 JOBAMQGXDOEPNF-FQEVSTJZSA-N 458.632 2.175 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1oc(CCC)nc1C)[C@H]1CCS(=O)(=O)C1 1748816922 BAOKGKKZYVRCRR-ROUUACIJSA-N 461.588 2.096 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(F)ccc2Br)n1C[C@H]1CCN(S(C)(=O)=O)C1 1748831077 GESSWXOQUZOTNE-HNNXBMFYSA-N 494.390 2.201 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CC2CCN(C(C)=O)CC2)CC1 1748984372 LQOSGMUNQKFURC-UHFFFAOYSA-N 480.613 2.366 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCCc3ccccc3)n2C[C@H]2NC(=O)CC2(C)C)CC1 1749015442 DPLSRFYNAPIRAB-JOCHJYFZSA-N 476.625 2.334 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H]1COc2ccccc2O1 1749229286 IRBFHKUTQBQPIT-ZWKOTPCHSA-N 462.572 2.049 30 10 JEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2cccc(F)c2F)CC1 1749428064 YGPPZDCLGOWZKO-LJQANCHMSA-N 496.584 2.182 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[C@](C)(OC)C1 1749655762 RKYDIAMMFIIWBY-QHCPKHFHSA-N 459.547 2.278 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 1749660411 ORVNYAUCKANMOE-SFHVURJKSA-N 496.612 2.397 30 10 JEEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1749760953 SGGIORMNWSBKCP-AOMKIAJQSA-N 462.620 2.423 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cccc(OCC(F)(F)F)c1 1750969875 HWDREUFXXUAWMG-MRXNPFEDSA-N 452.437 2.134 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1CC1(O)CCS(=O)(=O)CC1 1760101182 KFYJHFYWPLZCJT-QGZVFWFLSA-N 453.568 2.199 30 10 JEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(=O)N1CCCCC1 1760173760 BKVGULXLELFWFX-SFHVURJKSA-N 460.579 2.059 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1cccc(OC)c1OC)[C@@H]1CCS(=O)(=O)C1 1760183912 DWFMGSNFURXXGE-GOSISDBHSA-N 467.551 2.032 30 10 JEEE C#CCN(CC#CC)c1nnc(CSc2ccccc2OC)n1CCN1CCCS1(=O)=O 1760222429 KRGOZIRVXINIGM-UHFFFAOYSA-N 473.624 2.077 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CCN(CC)C(=O)OC(C)(C)C)CC1 1760263314 WPMGUIKGTNCEMG-UHFFFAOYSA-N 453.591 2.276 30 10 JEEE C#CCSCCn1c(-c2ccccc2F)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1760278576 YXQRSMMOSDGASJ-UHFFFAOYSA-N 465.558 2.271 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCc1cn[nH]c1 1760289264 LFFHMSODPSNIFM-JOCHJYFZSA-N 453.572 2.153 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1760294939 JXDGBVIDCKFGHC-PABYOWBDSA-N 463.648 2.060 30 10 JEEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)CCc1cccc([N+](=O)[O-])c1 1760301382 ZKXRRHWIXNSUNA-CYBMUJFWSA-N 487.380 2.384 30 10 JEEE C=CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1C[C@H](C)N1CCOCC1 1760501940 INMBEEJAPOXPNH-INIZCTEOSA-N 467.412 2.406 30 10 JEEE C=CCNC(=O)Cn1c(N2CCN(Cc3ccsc3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1760529072 WHCXIRRNKRBGSN-QHCPKHFHSA-N 474.631 2.005 30 10 JEEE CCCn1nc(-c2nnc(N(C)C[C@@H](C)C#N)n2CC2(O)CCOCC2)c2ccccc2c1=O 1764489341 GMLCKLXKWXWTCY-KRWDZBQOSA-N 465.558 2.202 30 10 JEEE CCN1CCN(CCCn2c(-c3ccc(C#N)cc3)nnc2N2CCCC[C@@H](S(C)(=O)=O)C2)CC1 1765569640 DCLBDRNGYLLWTF-HSZRJFAPSA-N 499.685 2.248 30 10 JEEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](OC)[C@H](C)CC)C1 1765671449 FDYWOQXLUINSCO-AHRSYUTCSA-N 460.604 2.396 30 10 JEEE CCn1cnnc1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(C)(C)CN1CCOCC1 1766972805 AYYNOLDUSUJFOX-UHFFFAOYSA-N 463.590 2.271 30 10 JEEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC[S@@](=O)C(C)(C)C)C[C@H]1OC 1770303889 FCQJREHRBOFWMJ-YUCISJLTSA-N 461.588 2.126 30 10 JEEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CC[C@H](C)C2)CC1=O 1771149382 CUUCHVBUWVWBDF-ICSRJNTNSA-N 452.559 2.460 30 10 JEEE N#Cc1cccc(-c2nnc(N3CCC(OCC(N)=O)CC3)n2C[C@@H]2CSCCS2)c1 1771531201 FTUVOQROJDOGBF-GOSISDBHSA-N 458.613 2.136 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCCN(CCC)C(=O)C1 1772659959 FBKJMMVQWVVDTR-UHFFFAOYSA-N 466.995 2.043 30 10 JEEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1862484594 RZZARNZJKIUBSU-NRFANRHFSA-N 481.461 2.389 30 10 JEEE C=CCN1C(=O)C(Nc2ccc(S(N)(=O)=O)cc2)=C(c2ccc(Br)cc2)C1=O 1863196024 RLDNCZGFMWJMQV-UHFFFAOYSA-N 462.325 2.475 30 10 JEEE C#CCOc1cn(Cc2ccc(OC)cc2)c(CNc2ccc(S(N)(=O)=O)cc2)cc1=O 1871011161 ZRAFXMYJQIFYRT-UHFFFAOYSA-N 453.520 2.177 30 10 JEEE CC(C)N1C(=O)CS[C@@H](C(=O)NCc2nnnn2-c2ccccc2)[C@H]1c1ccc(C#N)cc1 1891717588 MJBQXSJZCRFTCX-FGZHOGPDSA-N 461.551 2.244 30 10 JEEE CN(C(=O)c1cn(C2CC2)c2c(F)c(F)c(F)cc2c1=O)C1CN(c2nccnc2C#N)C1 1891819477 CRLLCCCIAXUEFX-UHFFFAOYSA-N 454.412 2.376 30 10 JEEE CC1(C)OB(c2cccc(C(=O)NCCn3cnc(I)c3)c2)OC1(C)C 2237139990 MHSJVDXZXRQWGP-UHFFFAOYSA-N 467.116 2.217 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@](CO)(NC(=O)c2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2255792789 NMHGTTWCLRXWGV-NRFANRHFSA-N 452.382 2.149 30 10 JEEE C[C@H](O)CN(CCNC(=O)c1ccsc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2255808886 PMXCPQDBDMHKQG-AWEZNQCLSA-N 454.398 2.395 30 10 JEEE C[C@H](CNC(=O)OC(C)(C)C)NS(=O)(=O)c1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2255933952 WKADSGXMFRVRIG-CYBMUJFWSA-N 458.361 2.316 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@H](CCNC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2267175665 PAGUFRTWHYABKC-AWEZNQCLSA-N 467.397 2.198 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC2(CC(NC(=O)OCc3ccccc3)C2)C1 2267177036 ILDMVKCUXHBOAE-UHFFFAOYSA-N 480.374 2.250 30 10 JEEE C[C@H]1CCN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1NC(=O)C(F)(F)F 2267465654 PVGUERFESRBDLJ-AAEUAGOBSA-N 482.355 2.125 30 10 JEEE CN([C@@H]1CC[C@@H]1OCc1ccccc1)S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2267465971 SMOHWYFWOIWVFF-MOPGFXCFSA-N 461.393 2.088 30 10 JEEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@@]23C[C@@H]2CN(Cc2ccccc2)C3)OC1(C)C 2267469217 RSZJMTGTQRELSJ-VGOFRKELSA-N 475.445 2.136 30 10 JEEE CC1(C)OB(c2cscc2S(=O)(=O)NC[C@@H]2CCCN(C(=O)C(F)(F)F)C2)OC1(C)C 2267469305 SUHFTTFBNZCBIQ-LBPRGKRZSA-N 482.355 2.127 30 10 JEEE CN1CCN(C(=O)c2ccsc2B2OC(C)(C)C(C)(C)O2)[C@@H](CNC(=O)OC(C)(C)C)C1 2267475468 KUDYZIHKGHBPQF-HNNXBMFYSA-N 465.425 2.328 30 10 JEEE CCn1cc(C(=O)NC[C@H](C)CN(C)C(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2267498834 WPQFDIGPSHPISP-HNNXBMFYSA-N 450.389 2.435 30 10 JEEE C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2267722154 VUSLEBJSEASJOZ-OAHLLOKOSA-N 467.397 2.011 30 10 JEEE CC(C)(C)OC(=O)N1CC(CO)(C(=O)Nc2ccc(F)c(B3OC(C)(C)C(C)(C)O3)c2)C1 2268646281 YCFLRNPABHIPQG-UHFFFAOYSA-N 450.316 2.293 30 10 JEEE CC1=C(B2OC(C)(C)C(C)(C)O2)CCN(C(=O)[C@@H](F)C2(O)CN(C(=O)OC(C)(C)C)C2)C1 2268720363 UFYGZBLWGVOLJN-MRXNPFEDSA-N 454.348 2.487 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)CC[C@H]1C(=O)NCc1sccc1B1OC(C)(C)C(C)(C)O1 2268786544 QRSCZXCSDGSIJF-HOCLYGCPSA-N 466.409 2.424 30 10 JEEE C[C@@H](OCc1ccccc1)[C@@H](NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)O 2269032163 LUHBAIIPNUNHHI-RDTXWAMCSA-N 481.401 2.384 30 10 JEEE CC#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 2271603584 OUATZDFVJFORSR-SYJLOODJSA-N 465.547 2.358 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H](CNC(=O)OC(C)(C)C)C[C@@H]1C 2282000628 QNHASEMPCSWDSA-GOEBONIOSA-N 462.400 2.403 30 10 JEEE Cn1cc(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 2282034410 HVJXWKJARKDUQH-HOTGVXAUSA-N 460.384 2.048 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1[C@H]2CCCCN(C(=O)OC(C)(C)C)[C@H]21 2282042395 GSVPCWHXGLYZDR-DJIMGWMZSA-N 460.384 2.237 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 2282177907 JYRAVIQQUMYXLM-OAQYLSRUSA-N 453.392 2.345 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2282303827 BGVPOZLGOPYSPM-DZFIZOCASA-N 478.420 2.438 30 10 JEEE Cc1nc(C(=O)NC[C@@H]2CO[C@@H](CNC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2282524404 JCRZFNNBJOUGBF-HUUCEWRRSA-N 481.424 2.410 30 10 JEEE Cn1cc(C(=O)N2C[C@@H]3CC[C@H](NC(=O)OC(C)(C)C)[C@H]3C2)c(B2OC(C)(C)C(C)(C)O2)n1 2282577737 ITJAWPYAOUNHEZ-ZOBUZTSGSA-N 460.384 2.095 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@]23CCN(C(=O)OC(C)(C)C)C[C@H]2C3)n1 2282599068 NRKLERYWDUJHBZ-CMJOXMDJSA-N 460.384 2.332 30 10 JEEE C[C@H]1CC[C@@H](CNC(=O)OC(C)(C)C)N(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)C1 2282629045 REESBVUXQXPAOV-HOTGVXAUSA-N 462.400 2.485 30 10 JEEE CCCC[C@@H](CNC(=O)OC(C)(C)C)NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282856102 NTBANNXOJPCZNW-HNNXBMFYSA-N 486.444 2.081 30 10 JEEE CC(C)N(CCCNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C)C(=O)OC(C)(C)C 2282859908 RXPHXVBMEYEVTQ-UHFFFAOYSA-N 486.444 2.033 30 10 JEEE CC(C)(C)OC(=O)N1CC=C[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(O)cc2O)C1 2282975142 MSTABQNJLMFCQA-AWEZNQCLSA-N 460.336 2.302 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CCC(N)=O)C(=O)Nc1nc(B2OC(C)(C)C(C)(C)O2)ccc1Cl 2284053725 SCIHIRIAEZCEFB-CYBMUJFWSA-N 482.774 2.132 30 10 JEEE CO[C@@H](CNC(=O)OC(C)(C)C)CNC(=O)c1nc(C)sc1B1OC(C)(C)C(C)(C)O1 2317603200 NKJSJSIBOPBHFD-CYBMUJFWSA-N 455.386 2.020 30 10 JEEE CCCNC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1N=Cc1ccc(O)c(OC)c1 2329011985 JJXVVMDLQBXUAI-MRXNPFEDSA-N 474.587 2.217 30 10 JEEE COc1cc(C=Nn2c(SCCO)nnc2[C@H]2CC(=O)N(C(C)C)C2)cc(Br)c1O 2329056636 SYNPXEKCJVTELG-ZDUSSCGKSA-N 498.403 2.446 30 10 JEEE CN(C(=O)OC(C)(C)C)[C@H]1CN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CC1(C)C 2361512988 FWJCJVCVGNBSJO-INIZCTEOSA-N 460.384 2.493 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)C[S@@](=O)CC(=O)Nc3ccc([N+](=O)[O-])cc3)cc21 586274074 JTFJGORFCOBUAN-JGCGQSQUSA-N 457.464 2.076 30 10 JEEE C#CCN(C(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1)[C@H]1CCS(=O)(=O)C1 729334211 KENVVIZDCQSOJK-CVEARBPZSA-N 457.379 2.495 30 10 JEEE CCCC[C@H](CC)Cn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cnn3ccccc23)c1=O 729670248 NZUPALDQDJBGHZ-IBGZPJMESA-N 493.633 2.136 30 10 JEEE C#CCN(CC(=O)NC1CCN(C(=O)c2ccc(OC)c(OC)c2)CC1)C(=O)OC(C)(C)C 1146269379 CUOGNWJDQIXYKD-UHFFFAOYSA-N 459.543 2.295 30 10 JEEE N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)COc1ccccc1S(N)(=O)=O)CCCC2 1188939899 FRXKAOXGBWLWJF-OAHLLOKOSA-N 458.540 2.082 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CCN(CC(=O)N3CCN([C@@H](C#N)c4ccc(F)cc4)CC3)[C@@H]2C1 1195102833 AEZGDWZVTMUYCO-ILWGZMRPSA-N 471.577 2.476 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@H](C)N1CCOCC1 1286291050 VEPIWENGRAKTBI-RBUKOAKNSA-N 463.586 2.244 30 10 JEEE C#CCCCCn1c(CCc2ccc(OC)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1286333916 POPPAKGUHKSZGK-OAQYLSRUSA-N 464.570 2.348 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H]1CCCO[C@H]1C(C)C)[C@@H]1CCS(=O)(=O)C1 1286387356 QDWZUMDBHHBLOA-HBMCJLEFSA-N 457.600 2.418 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1ccc(OC)c(OCC)c1)[C@@H]1CCS(=O)(=O)C1 1286391132 GEJNDFRSFLAEPO-OAQYLSRUSA-N 495.605 2.346 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc3ccccc3o2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1286421635 QCCWZFYCIDMIFV-SFHVURJKSA-N 451.552 2.436 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCN(CCC)C1 1286466743 JLXFOZMQLQIDRW-LEWJYISDSA-N 490.649 2.404 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccc(OCC(F)(F)F)nc2)CC1 1286472865 LZHXJAIOLZGSRG-JOCHJYFZSA-N 494.518 2.070 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CCc2n[nH]c(C)n2)CC1 1286475327 WZMFPGHYUQPHIU-UHFFFAOYSA-N 469.391 2.440 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Br)s3)n2CCCNC(C)=O)CC1 1286486558 GPIGGRFBRHDVFC-UHFFFAOYSA-N 493.431 2.261 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC2([S@](C)=O)CCC2)CC1 1286489401 RFEXHOCEKYFONU-DHUJRADRSA-N 499.637 2.229 30 10 JEEE C=C(C)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(CCS(C)(=O)=O)C1CC1 1286584302 FMXGYCJFCGIEIC-UHFFFAOYSA-N 466.633 2.136 30 10 JEEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2ncc(-c3ccccc3)o2)CC1 1286585169 CIBRTFKWBCXKDG-GOSISDBHSA-N 485.614 2.442 30 10 JEEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1286610182 ZJJMTGOGTJIMPC-LJQANCHMSA-N 459.558 2.233 30 10 JEEE C=CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1286772966 SWUDHARSMIEUQM-AWEZNQCLSA-N 457.526 2.497 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCN(C(=O)NC)CC1 1286783960 RNRJKOWKRAWGKV-UHFFFAOYSA-N 469.590 2.134 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(Cc2cccc(Cl)c2)CC1 1286787957 NEYVDAGXSZFOSL-IBGZPJMESA-N 458.994 2.450 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1286792179 PAQTYFBRSAYMAB-KRWDZBQOSA-N 453.522 2.101 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cc(OC)c(OC)c(OC)c2)C1 1286798827 PDUSVCRNWDYYBA-GOSISDBHSA-N 471.558 2.370 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N(CC)C[C@H]1COc2ccccc2O1 1286820619 OKRVKCVEAJNICM-ROUUACIJSA-N 462.572 2.049 30 10 JEEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1286824660 ZQZADFUDPWXMDE-MOPGFXCFSA-N 471.631 2.392 30 10 JEEE C[C@@H](CN1CCOCC1)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@@H](C)CC#N 1288704923 HCCPJNWYQDKGHM-ROUUACIJSA-N 460.604 2.055 30 10 JEEE C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@H](O)c2cc(Cl)c3c(c2)OCCO3)c1 1294705750 WZUIGTNWRMOFDX-KRWDZBQOSA-N 452.916 2.039 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1CC1(O)CCS(=O)(=O)CC1 1300272266 AOQKEKTWPHDUJT-ROUUACIJSA-N 476.599 2.214 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCCN(C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1300496676 TUGXBMLPCARQKA-UNMCSNQZSA-N 471.627 2.325 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2cccc(CN(C)CC)c2)CC1 1300685104 GJSIALNKTZRUEZ-AREMUKBSSA-N 466.630 2.185 30 10 JEEE C#CCN1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CCN(C)[C@H](C)CC)CC1 1300685537 QCDWYSDFLPHUTG-LJQANCHMSA-N 486.690 2.032 30 10 JEEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1CCc2ccccc21 1300762653 KZMKIIBERBEISY-WOJBJXKFSA-N 475.640 2.101 30 10 JEEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1301188448 JTXNRMOGHVKKIT-LSDHHAIUSA-N 463.526 2.041 30 10 JEEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1301188606 LGVZWVUSKLHDQP-IBGZPJMESA-N 455.588 2.130 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1=CCCOC1 1301362553 FXYGNHLEOKGMNL-IBGZPJMESA-N 479.628 2.212 30 10 JEEE C=CCSCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCO[C@@H](C(=O)NC)C1 1301612630 NRTSWENNXNPSRB-GOSISDBHSA-N 494.662 2.263 30 10 JEEE CC(=O)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCN(C)CC(F)(F)F)CC1 1301703231 BNNADYRWYNJJLF-UHFFFAOYSA-N 479.507 2.281 30 10 JEEE CCC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCN(CC)S(C)(=O)=O)CCO1 1306621923 GDSZXWJGEKKGKG-HXUWFJFHSA-N 460.604 2.494 30 10 JEEE C#CCn1ccc(CN(CCOC)C(=O)Nc2cccc(Cn3nc4ccccn4c3=O)c2)n1 1309976366 KRIOVFZWLHUZLK-UHFFFAOYSA-N 459.510 2.055 30 10 JEEE CCn1cnnc1Cn1c(-c2cccc(C#N)c2)nnc1N(C)CC(C)(C)CN1CCOCC1 1313853754 DMPBGPBQWHIHKY-UHFFFAOYSA-N 463.590 2.271 30 10 JEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 1358913071 FDJRORAHMFVTFW-SFHVURJKSA-N 475.590 2.458 30 10 JEEE C#CCN(c1nnc(-c2ccc(OCC)c(OC)c2)n1CCC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1358960223 ZTHNKBURLQSINJ-SFHVURJKSA-N 476.599 2.140 30 10 JEEE C#CCN(c1nnc(-c2cnn(-c3ccccc3)c2)n1CC(O)(CC)CC)[C@@H]1CCS(=O)(=O)C1 1358960805 MIBNGNCXHJJAHA-OAQYLSRUSA-N 482.610 2.309 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 1358966191 JPZBJBKCCLPHIK-OAQYLSRUSA-N 452.584 2.123 30 10 JEEE C#CCN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1359001552 XJQPGKNPNTWCRB-XMMPIXPASA-N 472.590 2.033 30 10 JEEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1359055299 ZNTISDLKRFENTM-UHFFFAOYSA-N 454.600 2.090 30 10 JEEE C=C(Br)Cn1c([C@H]2CCOC2)nnc1N1CCN(C[C@H](O)COc2ccccc2)CC1 1359083329 HVMNTACMBWANML-OALUTQOASA-N 492.418 2.253 30 10 JEEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(C2CCCCC2)CC1 1359303854 CTAPBONCTLOQCI-UHFFFAOYSA-N 471.631 2.027 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCNC(=O)CC1 1359328765 NQOUPUIQPCNFEJ-HNNXBMFYSA-N 463.629 2.059 30 10 JEEE C#CCCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(S(C)(=O)=O)CC1 1507561615 RFPRSNUTYRWWEL-LJQANCHMSA-N 494.662 2.278 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@@H]1OCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1507627111 IRMLOOLOHMZFNJ-ICSRJNTNSA-N 458.584 2.396 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCN1CCCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1507634263 YEJXJMRFZJZYIM-NJDAHSKKSA-N 463.648 2.063 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1507804896 MNBRDCJOAMQNIB-WFXMLNOXSA-N 494.687 2.381 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](c2ccc(OC)cc2)C1 1507868229 GCUNQZOLAGWVGC-MJGOQNOKSA-N 482.006 2.366 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CNC(=O)c2cccs2)n1C[C@@]1(O)CCOC1 1507998245 DECNNGLAYCAZJG-DEOSSOPVSA-N 478.578 2.485 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CC1 1507999382 MIZXCHHSNKWDGR-HXUWFJFHSA-N 456.572 2.085 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC=CCO1 1508003265 WJSTXPKQCBRWIT-NHCUHLMSSA-N 473.599 2.149 30 10 JEEE C=CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1508047754 HQJLGEDPUOGTKX-MRXNPFEDSA-N 479.603 2.265 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(C(=O)CC2CCCCC2)CC1 1508080220 MHCYMLZZBURUTD-UHFFFAOYSA-N 451.575 2.261 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCC(C(=O)N2CCCC2)CC1 1508092646 DRWHHEFLNIXBJU-UHFFFAOYSA-N 470.549 2.137 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 1508137639 OQEYFLDHZCNLOF-UHFFFAOYSA-N 460.604 2.245 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N(C)Cc1ccc([S@@](C)=O)cc1 1508141827 OXXKQOSGEMPBII-YVGXBJCXSA-N 466.629 2.147 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@H](OCC)C1 1508141877 POWRTKAMCKGAKE-FQEVSTJZSA-N 489.646 2.058 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1sccc1Br 1508410226 DQIBGPLUQHLIFZ-GHMZBOCLSA-N 461.411 2.356 30 10 JEEE COCCN(C(=O)c1c(F)cc(C#N)cc1F)c1c(O)nc(=O)n(Cc2ccccc2)c1N 1523710022 ADLBCHIBRVOFTF-UHFFFAOYSA-N 455.421 2.022 30 10 JEEE C#CCOc1ccc(CNC(=O)c2ccc(I)cc2-n2cnnn2)cc1 1533420577 XNSFUKBGSIPUDP-UHFFFAOYSA-N 459.247 2.209 30 10 JEEE C#CCN(CC#N)C(=O)c1cc(I)cc(I)c1 1538103438 IYTDIYGHSXASOZ-UHFFFAOYSA-N 450.017 2.495 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CC[C@H](C(F)F)N1CCOCC1 1539003464 DEFJEPHWVWNXSK-MAUKXSAKSA-N 471.512 2.408 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CC[C@@H](F)C2)c1 1539043942 XLTRZARREHPHEL-GUDVDZBRSA-N 473.574 2.375 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC[S@@](=O)C(C)(C)C 1539305279 VLMGIAQTWOSBBB-SSEXGKCCSA-N 460.625 2.359 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](c1ccc(C)cc1)N1CCOCC1 1539318594 UJNYVASJNYKLGH-PKTZIBPZSA-N 460.582 2.074 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ncccc2C)CC1 1539470005 XDEBWPAXDRKKBK-VWLOTQADSA-N 466.586 2.036 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2CCC(=O)N2CCCCC2)CC1 1539484084 BOSQMXILLGNFQL-UHFFFAOYSA-N 454.619 2.379 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@H](C)CN(C)C(=O)OC(C)(C)C)CC1 1539489739 MVHYVEADXBUWJY-GOSISDBHSA-N 476.622 2.283 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1CN1CCC(O)CC1 1540167889 GQINEHMFNXZRAT-QFIPXVFZSA-N 450.587 2.413 30 10 JEEE C=CCn1c(N2CCC[C@H](N3CCCS3(=O)=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1540860670 GLFGJQSBNDLMRE-KSZLIROESA-N 480.635 2.239 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2CC2(C(N)=O)CCOCC2)C1 1540892287 JDLMFRQDTVWIBO-MRXNPFEDSA-N 461.513 2.211 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](Cc2ccc(C#N)cc2)C1 1540897742 QWXVJORHPZZVKS-OAQYLSRUSA-N 484.626 2.348 30 10 JEEE CC(C)(C)OC(=O)NCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1541218740 DPOYWVXCMFCKBM-RTBURBONSA-N 481.557 2.203 30 10 JEEE CC(C)c1nnc([C@@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCC(=O)N(C)C)CCO2)o1 1541319790 BEOIKWUCEMMVER-SFHVURJKSA-N 464.530 2.379 30 10 JEEE C[C@@H]1C[C@@H](C)CN(CCCn2c(COc3ccc(C#N)cc3)nnc2N2CCNC(=O)CC2)C1 1543614145 HEQGDYWPTTXECV-WOJBJXKFSA-N 465.602 2.423 30 10 JEEE CN(C)C(=O)[C@@H]1CCCN1CCCn1c([C@@H]2CCOC2)nnc1N(C)Cc1cccc(C#N)c1 1552661407 BOEVEKRGUYKKMS-YADHBBJMSA-N 465.602 2.233 30 10 JEEE C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)N(CCC#N)CCCN(C)C)cc2)C[C@@H](C)O1 1562106796 HEFVUWNEFMPUMO-QZTJIDSGSA-N 451.593 2.184 30 10 JEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCCCN2C(=O)c3ccccc3C2=O)cc1 1562197122 DIHKXOPOEACOHX-UHFFFAOYSA-N 456.524 2.301 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1c(CC)nn(C)c1OC 1587579833 KPLOPHHPLJMXPB-INIZCTEOSA-N 485.614 2.006 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H](c1cccs1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1588054196 LJCPAVKHHFTBQZ-GUDVDZBRSA-N 477.656 2.163 30 10 JEEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1Cc1cccc(OCCN(C)C)c1 1588314809 RKXBONZXBKKNAB-UHFFFAOYSA-N 450.543 2.454 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(=O)N(C)C2CCCCC2)CC1 1588769008 MZNDYMNBXSKMTL-UHFFFAOYSA-N 465.558 2.400 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCCCOC)CC1 1588930241 QTWKJCNQIDHEPG-OAQYLSRUSA-N 453.543 2.183 30 10 JEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1588968601 NLANUEFOIMEXRH-UHFFFAOYSA-N 477.638 2.464 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1 1593636767 RNYAGKOXELWIEY-QGZVFWFLSA-N 498.650 2.071 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1ccc(C)cc1)N1CCCC1 1594963642 WBVCYJSYZSCGLC-YADHBBJMSA-N 488.658 2.379 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 1595785202 UMSANMBWUKFDSG-FUHWJXTLSA-N 476.603 2.290 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(Cc2ccc(OC)c(F)c2)CC1 1595831579 SOGKFBPYRBTVNH-OAQYLSRUSA-N 493.605 2.200 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CCCN1CCCC1 1609508804 GNMQSAJQOITLIG-OAQYLSRUSA-N 451.575 2.352 30 10 JEEE CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2cccnc2)CC1 1613441308 CUHNDJCHQUAMFG-HXUWFJFHSA-N 472.597 2.491 30 10 JEEE C=CCN1CC[C@H](N(C)S(=O)(=O)c2cc3c(cc2Br)CCCC(=O)N3)C1=O 1622074676 NWYHBEGGDRFTBI-HNNXBMFYSA-N 456.362 2.131 30 10 JEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)NCC(C)(C)CN(C)C)CC1 1625790422 GRALAUKLNAHTQE-IBGZPJMESA-N 450.624 2.236 30 10 JEEE C#CC[C@H](CO)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)OCC1c2ccccc2-c2ccccc21 1636838720 IVSOBGUCQHEFNV-MZNJEOGPSA-N 458.518 2.360 30 10 JEEE C#Cc1ccc(C(=O)N2CC[C@@H]3[C@H](C2)NC(=O)N3C2CCN(C(=O)OC(C)(C)C)CC2)cn1 1642785696 UABAFAHUKBMYFY-VQTJNVASSA-N 453.543 2.071 30 10 JEEE C#C[C@@H]1COCCN1C(=O)Nc1ccccc1OCCN1CCN(C(=O)OC(C)(C)C)CC1 1672112178 BRVGAAPYWJPEMK-LJQANCHMSA-N 458.559 2.484 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CCCC(=O)NC1CC1)[C@H]1CCS(=O)(=O)C1 1689983593 DEWMDUAPXAKNIQ-NRFANRHFSA-N 469.611 2.193 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCCN1CCC(O)CC1 1690031763 WTLJKZFLRZWKCL-UHFFFAOYSA-N 462.598 2.457 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCOc1ncccc1Cl 1690192996 GQODVLVWPDHQQT-AUUYWEPGSA-N 452.968 2.008 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1690235845 FMRNFPVRLFADNT-MSOLQXFVSA-N 462.595 2.455 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1690236333 LJYRJDXZKCEWIQ-RXVVDRJESA-N 457.579 2.440 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCN1CCOCC1 1690262995 VYOHEZVUHBNCTH-UHFFFAOYSA-N 461.636 2.363 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2cc(OC)c(OC)c(OC)c2CC1 1690310276 ZGYCTFBUUQJRDM-IBGZPJMESA-N 485.585 2.453 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)OC(C)(C)C1 1690433328 VJTZIWDWANAXFT-IAGOWNOFSA-N 455.625 2.217 30 10 JEEE C=CCCOCCn1c([C@@H]2COc3ccccc3O2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1690508472 JSDLUJQDJUBFOQ-PXNSSMCTSA-N 462.572 2.397 30 10 JEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)c1c(C)noc1C)C1CC1 1690545536 TXYOSMSUBGYODH-KBXCAEBGSA-N 464.592 2.174 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N(C)[C@H](C)c1cccc(N2CCOC2=O)c1 1690671526 XYLDQXJMPRCAAW-SJLPKXTDSA-N 454.531 2.238 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)OCC)CC1 1690681298 MJEOEVCOKQCJTR-UHFFFAOYSA-N 468.558 2.406 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccn3)n2CCNS(=O)(=O)c2ccc(C)s2)C1 1690694119 KLLYQMZTNMFWBM-QGZVFWFLSA-N 474.612 2.470 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1690725016 BOQRDQQJTZAXOF-ZHRRBRCNSA-N 482.553 2.132 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CCc2c(ccnc2O)C1 1690729842 TTXIZWHHNUCFOR-UHFFFAOYSA-N 469.567 2.430 30 10 JEEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(N2CCCCC2)CC1 1690734018 TYRYWPUACZXAFZ-QGZVFWFLSA-N 456.682 2.262 30 10 JEEE CN(CCS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1CC1CCN(C2CC2)CC1 1696841766 COYDDMUETORJTA-UHFFFAOYSA-N 472.615 2.084 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(C(=O)Nc2ccccn2)n1C[C@]1(O)CCSC1 1698047653 HJWXHDDUZIIFBN-XMMPIXPASA-N 493.593 2.318 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2Cc2cnccc2OC)c1 1705504078 MGVAIWOOHCQAIX-UHFFFAOYSA-N 473.537 2.022 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H](OC)C(C)C)[C@H]1CCS(=O)(=O)C1 1705560176 FCNTZPCTGBEKPR-OALUTQOASA-N 461.544 2.151 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@H]1CCSC1)[C@@H]1CCS(=O)(=O)C1 1705563098 QTELURUETCRHHH-IAGOWNOFSA-N 476.624 2.342 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1Cc1c(CC)nn(C)c1OC)[C@@H]1CCS(=O)(=O)C1 1705564021 JLRCALOYQHBGMU-GOSISDBHSA-N 482.610 2.233 30 10 JEEE C#CCN(c1nnc(C2CCC2)n1C[C@@H](c1cccc(OC)c1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1705566277 MDUBTOADTDXQGQ-IRLDBZIGSA-N 471.627 2.484 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1sc(C)nc1C)[C@@H]1CCS(=O)(=O)C1 1705570273 NPZSRJOOBUXBGD-GOSISDBHSA-N 456.597 2.012 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1705707208 GZPYJWZOFVYXDE-XJUOHMSHSA-N 474.650 2.491 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2cc(C)ccc2C)CC1 1705725613 LEODSLWBSALCJC-NRFANRHFSA-N 474.631 2.131 30 10 JEEE C=CC[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(C)=O)CC1)c1ccccc1 1705795218 FEYJXPCJAGRICU-NQIIRXRSSA-N 474.631 2.307 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCC(=O)N(C)C 1705860030 MVEIPCODDGJXLW-FQEVSTJZSA-N 470.599 2.113 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CCCS(=O)(=O)C1 1705877791 DJTFKJQODNTIML-WOJBJXKFSA-N 457.600 2.289 30 10 JEEE C=CCNC(=O)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC(C)CC1 1705907828 YUGKMTYHEBZLQP-UHFFFAOYSA-N 451.619 2.181 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 1705935167 IYFYRMRKTWKCTJ-MRXNPFEDSA-N 452.581 2.162 30 10 JEEE Cc1cnc([C@H](C)Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@@](C)(C#N)C2)s1 1707711021 BHOUODVGEALOER-KUDFPVQQSA-N 493.659 2.310 30 10 JEEE CO[C@@H](C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1711505900 CXNBOUYVKGVAIM-SFHVURJKSA-N 460.542 2.154 30 10 JEEE C#CCCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCS(=O)(=O)CC1 1722319195 LKRRIZOABSKYAG-SFHVURJKSA-N 465.620 2.431 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(COc2ccccc2)CC1 1722333706 YDGUSUMIPRXMDT-JOCHJYFZSA-N 487.626 2.320 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCSC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1722367728 NVMHCJMORPJTCH-ZIAGYGMSSA-N 452.524 2.052 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CC(=O)N(C)C2CCCCC2)CC1 1722447495 IRPAEUSNRKAWEY-OAQYLSRUSA-N 470.618 2.277 30 10 JEEE C=C(Br)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN(CC(=O)NCC)CC1 1722486884 GPGVXDXEANBHQL-UHFFFAOYSA-N 491.434 2.239 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2cc(C)ccc2C)nnc1N1CCO[C@@H](C(=O)NC)C1 1722504040 MTUAVEWWXVLIPE-WPYKKVEZSA-N 469.586 2.406 30 10 JEEE C=C(C)Cn1c(COc2ccc(Br)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1722524615 HEAWFOWKVJMSET-INIZCTEOSA-N 450.337 2.147 30 10 JEEE C=C(C)COCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(C(=O)OC)CC1 1722532390 KOSOALYTBAWKRY-UHFFFAOYSA-N 453.503 2.075 30 10 JEEE C=C(Cl)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1722545625 KJBVMTSFEHAWJP-UHFFFAOYSA-N 454.940 2.466 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCNC(=O)Cc2cccc(F)c2)CC1 1722581246 IQFVUVYROFXFTG-IBGZPJMESA-N 475.590 2.081 30 10 JEEE C=CCCOCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C(=O)NCC)CC1 1722622715 RWEZWVWJAUHONN-UHFFFAOYSA-N 466.384 2.480 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCOC[C@@H]1OC 1722657186 UKCKKBDGRNLHRM-VSKRKVRLSA-N 485.610 2.296 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCCN(Cc2nc([C@H](C)OC)no2)CC1 1722696283 HRXJRPCJRXUBMO-IBGZPJMESA-N 494.600 2.358 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 1722698544 HLFDOUCYYAFEHS-INIZCTEOSA-N 490.967 2.229 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](C(C)C)N2CCCC2)C1 1722718263 HZYHJPRZXJDIGW-XUVXKRRUSA-N 451.637 2.082 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](c2ccccc2Cl)C1 1722724948 JQRDAJGZWIWNAH-LJQANCHMSA-N 494.017 2.346 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 1722728805 YXZDSOVYKBDVGI-UHFFFAOYSA-N 474.562 2.348 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 1722729134 GKVYMFGCTFIRTK-IBGZPJMESA-N 488.658 2.243 30 10 JEEE Cc1nn(C)c(C)c1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1725817791 FDPHWEZMHPIJTP-MRXNPFEDSA-N 482.614 2.328 30 10 JEEE CCOCC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1728958373 FUMCSXTTXREYBR-UHFFFAOYSA-N 481.601 2.454 30 10 JEEE CN(Cc1nccs1)c1nnc(COc2ccc(C#N)cc2)n1Cc1ccc(C(N)=O)nc1 1729446233 GNPVBKFNTUNFML-UHFFFAOYSA-N 460.523 2.364 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@]1(O)CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1740628721 SQPOMZAEIWBOHX-IYXACIGFSA-N 478.659 2.375 30 10 JEEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(OC(F)(F)F)cc2)CC1 1740699204 XXCCAXXJAHZRHP-UHFFFAOYSA-N 462.476 2.103 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1740759045 FFZFOICJBATHPO-UGKGYDQZSA-N 474.631 2.105 30 10 JEEE C=C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H](C)N2CCN(CC)CC2)CC1 1740827696 HHRDHRRGSIHWFR-LJQANCHMSA-N 457.648 2.452 30 10 JEEE C=CC1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2cccc(S(=O)(=O)NC)c2)CC1 1740836627 QUERGZPDFRBDIX-QHCPKHFHSA-N 475.615 2.289 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2ncn(C)n2)C1 1740985046 AQWSAFWAZRQKER-IXDOHACOSA-N 458.567 2.007 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](C)C1 1740995773 XCBLSPOWJCRNIM-IRXDYDNUSA-N 469.608 2.176 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCOc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1748818161 WQTDASBUIRXNLN-WOJBJXKFSA-N 458.584 2.186 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCSC(C)C)[C@@H]1CCS(=O)(=O)C1 1748818462 BSQZXWLUDDRNDW-QGZVFWFLSA-N 453.659 2.402 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](CC)N1CCc2ccccc2C1 1748924951 AIKXORAINFRGGF-YADHBBJMSA-N 455.628 2.477 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(OCC)cc3)n2C[C@@H](C)N2CCOCC2)CC1 1748977827 KEODJDJQMDDNIJ-FGZHOGPDSA-N 482.629 2.293 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](c2cccc(OC)c2)N(C)C)CC1 1748989707 BZYSPPQZQWURDF-FYYLOGMGSA-N 452.603 2.239 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(C)cc2OCCOC)CC1 1748990795 LGGOWVLJSAJBFA-JOCHJYFZSA-N 453.587 2.309 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H]2CC=CCO2)CC1 1749019205 OWUKMUKYLGBGJC-NRFANRHFSA-N 453.518 2.307 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(N2CCCCC2=O)CC1 1749019843 DOZVULUPIQNNES-UHFFFAOYSA-N 467.599 2.273 30 10 JEEE C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(C)o1 1749104151 MICMQDGONIZGGI-HNNXBMFYSA-N 474.381 2.057 30 10 JEEE 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 1749574482 WIGGHKGMOYYPLQ-VJANTYMQSA-N 472.590 2.432 30 10 JEEE COCC[C@@](C)(O)Cn1c(-c2ccccn2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1749605811 DHHWLKYWUIQLBN-XMMPIXPASA-N 465.533 2.465 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1749652366 MGXIXBOVRKXWBP-RHSMWYFYSA-N 464.364 2.250 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCNC(=O)CC1 1749723662 ANMGCHOQIKFHKV-UHFFFAOYSA-N 463.629 2.203 30 10 JEEE N#C[C@]1(F)CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H]2CCCS(=O)(=O)C2)C1 1750377315 AGXFCVMKJFFMDT-IIBYNOLFSA-N 494.980 2.128 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1coc(-c2ccccc2)n1 1751095760 GPQDAKFFYHQBGJ-LPHOPBHVSA-N 485.570 2.053 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@]1(O)CCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1760180917 MZVPYIILSJIXQV-ROMRWMGNSA-N 488.610 2.140 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Cl)n1CCCCN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1760184822 MJKSDFROXOFTQH-LJQANCHMSA-N 492.045 2.338 30 10 JEEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCCO[C@@H](C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1760186184 BJOVSMQMEIYUHN-TYPHKJRUSA-N 485.610 2.024 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC(C)(C)c1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1760186761 AGEFUXSLVSGNHW-HXUWFJFHSA-N 482.610 2.292 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(Br)c2)n1CCCn1ccnn1 1760198628 GEJNFCNBBQLNOG-UHFFFAOYSA-N 454.332 2.471 30 10 JEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)CC2CCCCC2)CC1 1760281482 STOGPWAXAHLZNE-IBGZPJMESA-N 458.632 2.215 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2C[C@H](OC)[C@H](OC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1760327888 NTSGRZDAZNOKLI-BPDSMXLESA-N 450.580 2.150 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)CC2CC(F)C2)cc1 1760529825 LNHBGYWEJUAFAI-GRERDSQWSA-N 493.605 2.408 30 10 JEEE C[C@H]1COCCN1CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(C)(C)C)CC1 1763231964 AWYAEJCVOZLXLD-FQEVSTJZSA-N 467.618 2.370 30 10 JEEE CCC(O)(CC)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(c2ccccc2C#N)CC1 1764300282 DVPREBNVVQLANC-IBGZPJMESA-N 451.575 2.369 30 10 JEEE CN(C)C(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1766853222 AIYACBBWXAWVSL-OAQYLSRUSA-N 465.602 2.234 30 10 JEEE COc1ccc(CCc2nnc(N3CCO[C@H](C#N)C3)n2CCCN2CCCCC2=O)cc1 1770136915 CPHFZAFYOJIFNJ-OAQYLSRUSA-N 452.559 2.203 30 10 JEEE COc1ccc(-c2nnc(N3CCN([C@@H](C)C(=O)Nc4ccc(C#N)cc4)CC3)nc2O)cc1 1859429536 FAUDTGVXWFZXST-INIZCTEOSA-N 459.510 2.274 30 10 JEEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1cccc([N+](=O)[O-])c1 1862609851 WNZVDQXSKRMHDF-HXUWFJFHSA-N 467.434 2.080 30 10 JEEE C=CCNC(=O)C1=C(N)Oc2c(c(CCC)nn2C)[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1864892432 ILQNFWWNWGXLKM-KRWDZBQOSA-N 455.471 2.049 30 10 JEEE C=CCN(CC=C)C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1ccc(C)c(S(=O)(=O)N(C)C)c1 1868628078 FTSWTIQNLSYVJV-QFIPXVFZSA-N 485.606 2.493 30 10 JEEE CC(=O)Nc1cccc(-n2nnc(C#N)c2NC(=O)CCCN2C(=O)c3ccccc3C2=O)c1 1870144282 WAEXWQYHFUSMSD-UHFFFAOYSA-N 457.450 2.112 30 10 JEEE CCOCCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CN1CCN(C(C)=O)CC1 1870348765 LUGCUKHJUOGWRY-UHFFFAOYSA-N 452.555 2.390 30 10 JEEE C=CCn1c(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc2c(N3CCN(C(=O)OCC)CC3)ncnc21 1873562546 IJTILRCIOASJSB-IAGOWNOFSA-N 456.547 2.145 30 10 JEEE Cc1ccc(O)c(/C=N/n2c(SCC(N)=O)nnc2[C@H]2CC(=O)N(Cc3ccccc3)C2)c1 1874210231 NYIYWFRVWPXQRG-CVHZQBDDSA-N 464.551 2.268 30 10 JEEE COc1ccc(N2C[C@H](C(=O)N3CCC(N(C)c4cc(C#N)ccn4)CC3)CC2=O)cc1OC 1891216856 BVARWCHPQJDACM-GOSISDBHSA-N 463.538 2.451 30 10 JEEE CC(C)(C)OC(=O)NCC1(O)CC(C(=O)NCc2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2180965609 IUINEUIRPSMSHR-UHFFFAOYSA-N 460.380 2.268 30 10 JEEE CC(C)(C)OC(=O)NC(C)(C)[C@@H](O)C(=O)NCCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2180970742 QVOTYLGLPWRANG-SFHVURJKSA-N 462.396 2.309 30 10 JEEE Cc1sc(C(=O)N[C@H](CO)CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1C 2255596835 GCQNJGBIKBDNNJ-AWEZNQCLSA-N 454.398 2.280 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](NS(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)CO1 2255794893 DBZHFCKLDDUMQG-AWEZNQCLSA-N 474.410 2.018 30 10 JEEE CN(C(=O)OC(C)(C)C)C1(C(=O)NCc2sccc2B2OC(C)(C)C(C)(C)O2)COC1 2256673690 VEXWJDLHZYGKOM-UHFFFAOYSA-N 452.382 2.299 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)[C@@H](CO)C1 2266996421 OSHSQMGYLUDSNV-PBHICJAKSA-N 466.409 2.395 30 10 JEEE Cc1cc(C(=O)N2C[C@@H](O)C[C@H]2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2267160226 OMNNMSBQVNHUSW-GJZGRUSLSA-N 466.409 2.456 30 10 JEEE C=C(CS(=O)(=O)N[C@H]1[C@H]2OCCC[C@@H]2[C@H]1NC(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2267463912 DLDIPEXFTZDVMS-VQHPVUNQSA-N 472.413 2.164 30 10 JEEE CC1(C)OB(c2nccnc2C(=O)NC2CC3(C2)C[C@@H]3NC(=O)OCc2ccccc2)OC1(C)C 2267877334 UJBIHCZMULHQKH-SGKRCEGKSA-N 478.358 2.353 30 10 JEEE CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1sccc1B1OC(C)(C)C(C)(C)O1 2268639042 LYNMUKUAVHVHIV-HNNXBMFYSA-N 468.381 2.120 30 10 JEEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)[C@@H]1C[C@H](O)CN1C(=O)OC(C)(C)C 2268654515 AKFCXSUCWVYVMQ-HOCLYGCPSA-N 466.409 2.376 30 10 JEEE CC(C)(C)OC(=O)N1CC(NC(=O)c2cc(Cl)cc(B3OC(C)(C)C(C)(C)O3)c2)(C(=O)O)C1 2281810048 KYHAVJLWEKVLLU-UHFFFAOYSA-N 480.754 2.443 30 10 JEEE Cn1cc(C(=O)N[C@@H]2CCCC23CN(C(=O)OC(C)(C)C)C3)nc1B1OC(C)(C)C(C)(C)O1 2282043485 NULAXMQOIKNBOG-MRXNPFEDSA-N 460.384 2.239 30 10 JEEE C[C@H]1CC[C@@H](CNC(=O)C(F)(F)F)N(C(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2282191009 UMQLALOIJLOYOK-KBPBESRZSA-N 455.286 2.300 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N(C)CCN(C)C(=O)OC(C)(C)C 2282511158 KIWILTXBWXAWDQ-UHFFFAOYSA-N 484.424 2.482 30 10 JEEE Cn1cc(C(=O)N[C@H]2C[C@H](CNC(=O)OC(C)(C)C)C2(C)C)nc1B1OC(C)(C)C(C)(C)O1 2282554134 YTSMADUWUMFDDZ-ZBFHGGJFSA-N 462.400 2.389 30 10 JEEE CC[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2CN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2282563992 NHMCVWDISTUHKY-HLLBOEOZSA-N 460.384 2.426 30 10 JEEE C[C@@H]1CCN(C(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)[C@@H](CNC(=O)OC(C)(C)C)C1 2282578024 MMGNDARTYYPXPK-HZPDHXFCSA-N 462.400 2.485 30 10 JEEE Cc1cc(C(=O)N2CCC[C@@](O)(CNC(=O)OC(C)(C)C)C2)oc1B1OC(C)(C)C(C)(C)O1 2282584216 BWKBLGXDWQAZIU-HSZRJFAPSA-N 464.368 2.379 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@@](C)(CNC(=O)OC(C)(C)C)C1 2282586729 CEDVCVUUEWGFFG-QHCPKHFHSA-N 462.400 2.405 30 10 JEEE Cc1c(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(F)(F)F)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282591874 WCMSPZJLTGVXLN-GFCCVEGCSA-N 476.305 2.213 30 10 JEEE C[C@@H]1[C@@H](C)N(Cc2ccccc2)[C@H](C)CN1C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2282621605 UTIBBJCUYJVEKC-KZNAEPCWSA-N 453.396 2.238 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)(C(F)(F)F)C1 2283976113 ZCCCCHJZFXEFQP-GOSISDBHSA-N 492.329 2.387 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CC(C(=O)NCc2ccccc2B2OC(C)(C)C(C)(C)O2)=C[C@H]1O 2284055817 ZROLBVADXRPZKC-RBUKOAKNSA-N 458.364 2.186 30 10 JEEE CCOc1ccccc1OCc1nnc(SCC(N)=O)n1N=Cc1cccc(OC)c1O 2326821286 ZUIOKMOVVGPMBB-UHFFFAOYSA-N 457.512 2.430 30 10 JEEE CC1(C)OB(c2cccc(CS(=O)(=O)N[C@H](CCO)COCc3ccccc3)c2)OC1(C)C 2369629647 OLVOTVNGRBRWNY-JOCHJYFZSA-N 475.416 2.373 30 10 JEEE N#Cc1ccccc1S(=O)(=O)N1CCN(CC(=O)N(Cc2ccco2)CC(F)(F)F)CC1 510219930 BAACQHVQGXCAEA-UHFFFAOYSA-N 470.473 2.049 30 10 JEEE COCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1-c1cccc(Br)c1 610483496 HKMZFXGXIGGTTJ-UHFFFAOYSA-N 498.402 2.317 30 10 JEEE COc1cc(NC(=O)CSc2n[nH]c(NN=Cc3c(C)nn(CCO)c3C)n2)ccc1Cl 1084125598 AAJOFWCZOYNUFD-UHFFFAOYSA-N 478.966 2.449 30 10 JEEE COc1ccc(S(=O)(=O)C[C@H](C)C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)cc1 1126947718 AMNXTPQWBKDVAW-JKSUJKDBSA-N 451.545 2.076 30 10 JEEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)c1ccc(=O)n(CCOc2ccccc2Cl)c1 1137591657 FBRWUSDYWFUBFI-UHFFFAOYSA-N 454.918 2.462 30 10 JEEE Cc1csc([C@](O)(CC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C(F)(F)F)n1 1139811133 FGQNWMBTHWTLPQ-DNVCBOLYSA-N 452.458 2.381 30 10 JEEE CCN(CC)S(=O)(=O)c1ccc([C@H](C)NCCS(=O)(=O)c2ccc(C#N)cn2)cc1 1192857210 AHYCFPMUPVMDSU-INIZCTEOSA-N 450.586 2.108 30 10 JEEE C#CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN2CCOC[C@@H]2C1 1286349934 QZBDDOXPKUPOSR-FQEVSTJZSA-N 458.607 2.327 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@@](C)(O)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 1286380420 IEXNOVHQIVSCSU-GBXCKJPGSA-N 493.674 2.155 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](C)N(C)C1CC1)[C@@H]1CCS(=O)(=O)C1 1286388414 OTGUNIFVBJFKSJ-CRAIPNDOSA-N 463.007 2.103 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1Cc1nccn1C(F)F)[C@@H]1CCS(=O)(=O)C1 1286392997 IMWLQSACMRHVJV-CQSZACIVSA-N 496.490 2.414 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2cc(Cl)c3c(c2)OCCO3)CC1 1286471533 LMXKFKHSFMXVAC-QGZVFWFLSA-N 475.977 2.230 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(COC(C)(C)C)on1 1286581489 JQLLEYBRXVYWOU-IBGZPJMESA-N 496.634 2.365 30 10 JEEE C=C(Cl)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1286622531 PZPXKGKFRNVVFK-CQSZACIVSA-N 491.039 2.030 30 10 JEEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2cc(OC)cc(OC)c2)CC1 1286699832 HUEQJEDHNNSHCU-HXUWFJFHSA-N 489.642 2.486 30 10 JEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2ccc(F)cc2)CCOCC1 1286727280 OMIWFQZUHZZKNU-HXUWFJFHSA-N 493.605 2.121 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1cccc(Cl)c1)C1CC1 1286736437 FJIUQWKWDOZZIS-IBGZPJMESA-N 482.006 2.498 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c(-c2ccccc2C)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1)C(C)C 1286750517 BUCFYCLNFYASIP-FYYLOGMGSA-N 491.640 2.099 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1286782489 WOGJDJXNPMTNHG-HNNXBMFYSA-N 495.447 2.230 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@H](Oc2ccccn2)C1 1286783974 RUQDAINEJDBETG-GOSISDBHSA-N 464.526 2.317 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCC[C@H](CNC(C)=O)C1 1286821144 BIKKMOJOGQQBSY-HXUWFJFHSA-N 459.616 2.131 30 10 JEEE Cc1nc(C)c(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(CC(=O)N(C)C)CC2)s1 1290377536 HQEHZTXMRQAWMB-UHFFFAOYSA-N 494.625 2.061 30 10 JEEE CCO[C@]1(c2nnc(N3CCCN(c4ccccc4C#N)CC3)n2CC(C)(C)C(=O)NC)CCOC1 1296638265 HVLMDBMLUZZQLU-AREMUKBSSA-N 495.628 2.291 30 10 JEEE C=CCNS(=O)(=O)c1ccc(C(=O)N2C[C@@H](C(=O)OC)[C@H](c3ccc(F)cc3F)C2)cc1 1299673838 CKXMHZZCUAYJFR-RBUKOAKNSA-N 464.490 2.458 30 10 JEEE COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2Cc2nccc(C(F)F)n2)cc1OC 1300076017 AEODOBHEZCDYRS-CQSZACIVSA-N 457.441 2.467 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2C[C@H]2CCCS(=O)(=O)C2)c1 1300333921 GFPYYRDPXNGCGV-UXHICEINSA-N 485.610 2.053 30 10 JEEE C#CCN(c1nnc([C@@H]2COc3ccccc3O2)n1CCSCC=C)[C@@H]1CCS(=O)(=O)C1 1300495407 HBRFTNVFZYDYEX-XLIONFOSSA-N 474.608 2.337 30 10 JEEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ccc(F)cn1 1300665384 ITEPJCFTXNTGCX-UHFFFAOYSA-N 450.522 2.121 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@]2(C)CN(C)C2=O)CC1 1300718459 PCLFCFPZEZMQEH-HSZRJFAPSA-N 454.962 2.043 30 10 JEEE C#CCSCCn1c(-c2cc(Br)cn2C)nnc1N(C)C[C@@H](C)C(=O)NC 1300740886 GREJJUPBTOBVNA-CYBMUJFWSA-N 453.410 2.231 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(C(C)(C)O)cc2)CC1 1301085856 BZFOSZNEUTWTSE-HXUWFJFHSA-N 475.615 2.043 30 10 JEEE C=CCC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1301160005 JLNANGFGCOUHSY-UHFFFAOYSA-N 491.596 2.258 30 10 JEEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ncc(Cl)cc2Cl)CC1 1301459177 UFJQFJWDRRCBNY-ZDUSSCGKSA-N 457.387 2.395 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1301578119 SFVFYVQVPQMWHT-JOCHJYFZSA-N 486.686 2.459 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCNC(=O)[C@@H]1CC 1301593817 UYBCATAWAHMUNR-FQEVSTJZSA-N 489.642 2.470 30 10 JEEE C=CCN(Cc1cc(Br)ccc1F)S(=O)(=O)CCCS(=O)(=O)N(C)C 1309137959 DHTRRXSWCNQYKA-UHFFFAOYSA-N 457.387 2.188 30 10 JEEE C=CCN(C(=O)CN(C)S(=O)(=O)CC)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 1352964439 ZQHGTHAVBLWMLF-UHFFFAOYSA-N 457.599 2.014 30 10 JEEE C#CCCCCn1c(Cc2csc(C)n2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1358914781 GUXXICZBWWVXST-UHFFFAOYSA-N 450.634 2.345 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCC1CC(OC(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1 1358955073 DFGUXKZPZFYZCZ-XBMUEBEBSA-N 479.647 2.027 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1358956985 NSUACTNTWGVDBL-YLJYHZDGSA-N 486.573 2.389 30 10 JEEE C#CCN(c1nnc(C2CCCC2)n1CCCNC(=O)c1cccc(O)c1)[C@@H]1CCS(=O)(=O)C1 1358962311 NRNBGMLMCVOHCR-HXUWFJFHSA-N 485.610 2.088 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CCc1ccccn1)[C@H]1CCS(=O)(=O)C1 1358967570 NIJGIVMOFQVSSO-NRFANRHFSA-N 465.579 2.430 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2CC2([S@@](C)=O)CC2)CC1 1359029850 IYZVVHIZGPOIRI-DUTUXMCTSA-N 471.627 2.483 30 10 JEEE C=C(C)Cn1c(-c2cccc(OC)c2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1359118721 YKOROQWAYOKLIS-UHFFFAOYSA-N 466.586 2.470 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[C@@H](N2CCOCC2)C(F)(F)F)CC1 1359178367 PMEVAGOHXJOYQS-IAGOWNOFSA-N 456.513 2.285 30 10 JEEE C=CCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1359286459 RZLBWRXUMSQCKK-KRWDZBQOSA-N 485.614 2.017 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N(C)CC1CN(C(=O)OCc2ccccc2)C1 1359297094 FJILJPNCRVTLIM-UHFFFAOYSA-N 475.553 2.347 30 10 JEEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCN(Cc2cscn2)CC1 1359303814 BPNLBSCEUNFERK-UHFFFAOYSA-N 467.599 2.246 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(N(C)C)cc2C)C1 1359313951 UDWGMCGKXRULSM-YLJYHZDGSA-N 462.620 2.092 30 10 JEEE CC(=O)c1ccc(S(=O)(=O)NCC(=O)N[C@H](C#N)c2cccc(Br)c2)cc1 1446183274 DMIGTXJBBDDIFH-QGZVFWFLSA-N 450.314 2.311 30 10 JEEE COc1cc(OC)cc(N2CC[C@@H](NC(=O)C3CCN(c4oc(C)nc4C#N)CC3)C2=O)c1 1457472898 BIEDUIKXHZUBDV-LJQANCHMSA-N 453.499 2.010 30 10 JEEE N#CCOc1cccc(CNC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)c1 1477870259 FBGJFVUZLJEEFG-UHFFFAOYSA-N 454.552 2.294 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@]1(O)CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1507623433 SBBDEOKIEQOYBM-FZOAFFARSA-N 499.637 2.325 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1C[C@@H]1CCCCS1(=O)=O)[C@H]1CCS(=O)(=O)C1 1507626062 CMGKDPQXXAIVEK-SFTDATJTSA-N 490.651 2.102 30 10 JEEE C#CCN(c1nnc(C2CCCC2)n1CCn1cc(Br)cn1)[C@H]1CCS(=O)(=O)C1 1507632396 KSIWLCITNLHEKD-KRWDZBQOSA-N 481.420 2.222 30 10 JEEE C#CCN(c1nnc(COc2ccccc2OC)n1Cc1c(CC)noc1C)[C@H]1CCS(=O)(=O)C1 1507638846 HGMQBOXLGGXJFG-SFHVURJKSA-N 499.593 2.400 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@H](C)N2CCc3ccccc3C2)CC1 1507720152 SBGCFJVIIWSPJP-YADHBBJMSA-N 466.630 2.204 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCc2nc(C)c(C)s2)CC1 1507736826 UBTNTTHHHJCGCG-XMMPIXPASA-N 486.642 2.212 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Br)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1508089275 BBJIXZSWNGUKRO-JKSUJKDBSA-N 492.330 2.036 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCc2ccc(OC)cc2C1 1508143810 KNYDOLMPUFLUCD-UHFFFAOYSA-N 453.568 2.436 30 10 JEEE CC(C)COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)N2CCOCC2)CC1 1509445771 COXJXEJNZGCKBN-FQEVSTJZSA-N 481.601 2.452 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cnn(C)c2)n1C[C@@H]1C[C@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1539002610 VLGYUXPZOVXRTC-PBWTXFEYSA-N 455.563 2.161 30 10 JEEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1Cc1cccc(OCC)c1)[C@@H]1CCS(=O)(=O)C1 1539205072 FZEHITBMSIBGDV-HYBUGGRVSA-N 488.610 2.004 30 10 JEEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCO[C@@H]1C(C)C 1539409002 LFPUKMNNSBJLDR-UYAOXDASSA-N 474.631 2.385 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@H](c2c(F)cccc2F)N(C)C)CC1 1539476884 HCLNANHOPAIWPU-OAQYLSRUSA-N 494.550 2.282 30 10 JEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](c2cccc(F)c2)C1 1539497966 PFKJPJHKFPUAFO-WBVHZDCISA-N 451.593 2.388 30 10 JEEE C=C(C)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCN(CC(=O)NCC)CC1 1539700183 ROGFXLVKSPSLJT-UHFFFAOYSA-N 478.601 2.070 30 10 JEEE C=C(C)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1539706618 MRQKLUDFAVEIDE-RXVVDRJESA-N 454.575 2.403 30 10 JEEE C=C(C)COCCn1c(Cn2ccc3ccccc32)nnc1N1CCC(NS(C)(=O)=O)CC1 1539758602 PHFIAYWAYZEKCI-UHFFFAOYSA-N 472.615 2.392 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(NC(=O)C2CCC2)c1 1540072397 KYPDIBTVUBSGGZ-FQEVSTJZSA-N 488.614 2.020 30 10 JEEE C=CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccc(N2CCN(CC)CC2)nc1)C1CC1 1540095283 YYZDKZFXSPVJRT-UHFFFAOYSA-N 452.607 2.156 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1540853015 HSQCOMKENGRMGM-GUDVDZBRSA-N 469.652 2.117 30 10 JEEE Cc1nn(C)c(N2CCN(c3nnc(C(=O)NC(C)C)n3CCOC3CCCCCC3)CC2)c1C#N 1543001062 BIZCZLJWZIEIDC-UHFFFAOYSA-N 497.648 2.396 30 10 JEEE COC[C@@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1555229006 CXSLPZWCIIPSOR-KRWDZBQOSA-N 478.557 2.156 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@H](C)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1588034431 FWGXPBRGINOGEG-ICSRJNTNSA-N 459.616 2.311 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1csc([C@@H](C)OC)n1)[C@@H]1CCS(=O)(=O)C1 1588045911 TVTHMHSFSVAQGV-NVXWUHKLSA-N 472.596 2.179 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1ccc(C(C)(C)O)cc1)[C@H]1CCS(=O)(=O)C1 1588055089 SCECLQZDEZWSQW-CTNGQTDRSA-N 472.611 2.075 30 10 JEEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 1588265905 JXIHSTYUXMMGDH-IRXDYDNUSA-N 480.635 2.137 30 10 JEEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1589070531 URBDLFKDJJOKLT-WOJBJXKFSA-N 474.675 2.108 30 10 JEEE C=CCOc1ccc(Cn2c(-c3noc4c3COCC4)nnc2N(C)C[C@@H](C)C(=O)NC)cc1 1595613690 GXMRGFVXKGQRRB-MRXNPFEDSA-N 466.542 2.437 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1595776688 CXUBZLBZHHEPIS-MSOLQXFVSA-N 476.599 2.426 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2CC)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1595823360 NIHVJKRSHNJNBM-YADARESESA-N 490.626 2.405 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccnc(N2CCCCC2)c1 1611658616 GRBOZXIPNQBNAX-DLBZAZTESA-N 460.608 2.060 30 10 JEEE Cc1nc(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCN(CC(=O)NC(C)C)CC2)cs1 1612418829 ARQPCZMVKBHNJN-UHFFFAOYSA-N 478.626 2.471 30 10 JEEE CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@](C)(C#N)C1 1617319434 CJXBWJXFFDRPBQ-OAQYLSRUSA-N 455.544 2.159 30 10 JEEE CS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(OC[C@@H]2CCCCO2)CC1 1620165094 HITNUWCKYYKROP-NRFANRHFSA-N 473.599 2.416 30 10 JEEE CCN(CC)C(=O)CN1CCC(NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 1636096039 ASDSAKGCIMHENE-KRWDZBQOSA-N 459.978 2.014 30 10 JEEE COC(=O)[C@@H](c1cccc(C#N)c1)N1CCN(C(=O)c2ccc(OC)c(OC)c2OC)CC1 1652651874 AFFLRWPKCADNJD-HXUWFJFHSA-N 453.495 2.256 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCn1cc(Br)cn1 1689848061 NTXICMRNDRZKLE-CQSZACIVSA-N 481.358 2.309 30 10 JEEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1Cc1cc(C)on1)[C@H]1CCS(=O)(=O)C1 1689996706 MMDZTKCOGHVQSU-SFHVURJKSA-N 475.958 2.482 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccccn3)n2C[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 1690119865 VQTXIAZXDGIDOM-IBGZPJMESA-N 451.575 2.495 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCN2CCC[C@@H]2C)CC1 1690139472 OGSNQRDLSHTDLB-IBGZPJMESA-N 480.613 2.412 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H](OC)c2ccc(F)cc2)CC1 1690146614 SDZFFQUJKDQJCG-PZJWPPBQSA-N 455.534 2.275 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H]2CCCN2CCC)CC1 1690150358 DTMYGGDGPVOUSN-NRFANRHFSA-N 469.659 2.474 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(Cn2cccn2)CC1 1690228713 DAQTWQVLBHNPEI-MRXNPFEDSA-N 469.409 2.202 30 10 JEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ccccc1Cl)C1CC1 1690545696 WWOYFBOCHWGOGV-LJQANCHMSA-N 482.006 2.498 30 10 JEEE C=CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCCS(=O)(=O)C1 1690611783 ZFZLYNTXJJCBLD-AWEZNQCLSA-N 472.409 2.499 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCN(c2ncccc2C#N)CC1 1690726868 OJDMVNQNTRIGJD-UHFFFAOYSA-N 483.623 2.124 30 10 JEEE CCS(=O)(=O)NCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@](C)(C#N)C1 1696500935 HYMCZQVOXOAGOJ-OAQYLSRUSA-N 462.576 2.032 30 10 JEEE COc1cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC(=O)NCC(F)(F)F)ccc1OC(C)C 1697255547 CJZTYWROEGOLNC-HNNXBMFYSA-N 482.463 2.148 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OCC(C)C)cc1 1705495552 RMKGMMHPRCCDOH-GHTZIAJQSA-N 475.615 2.152 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(CC)CC)n2C[C@H]2NC(=O)CC2(C)C)c1 1705504231 QLFNWTZILUNQBC-HXUWFJFHSA-N 493.612 2.167 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1CCCN(C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1705563868 HEVJTFZXJCLEPK-QHCPKHFHSA-N 478.622 2.489 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCCCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1705567283 VLKYVERAFDJTHY-PMACEKPBSA-N 460.604 2.132 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@H](C)N1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1705570479 QFFAYGMSHREPNE-BBTUJRGHSA-N 490.699 2.381 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccccc3F)n2CC[C@H](N2CCOCC2)C(F)(F)F)CC1 1705637082 IOADFVOIAKNUCS-FQEVSTJZSA-N 480.510 2.493 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccc(OC)cc3)n2Cc2cccnc2OC)CC1 1705650182 MTISUJLCNFSVRT-UHFFFAOYSA-N 488.592 2.490 30 10 JEEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1705656558 BFPNSIDUUZYHNK-MRXNPFEDSA-N 464.613 2.342 30 10 JEEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC2(CCCCC2)C1 1705662237 UFDRROBGXBRJGZ-SFHVURJKSA-N 467.661 2.138 30 10 JEEE C=C(C)COCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](C)O[C@@H](COC)C1 1705737042 IQHMRSMKRHYJSU-ZCNNSNEGSA-N 495.621 2.419 30 10 JEEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1705739402 FLEQKEYRXSIINJ-HSZRJFAPSA-N 454.579 2.218 30 10 JEEE C=CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1705888641 KKTSANRBRNMIAA-FXAWDEMLSA-N 454.575 2.137 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCO[C@@H](COC)C1 1705898849 ZRAOJDFKTOIMIX-CQSZACIVSA-N 468.327 2.001 30 10 JEEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC(c2nc(C)no2)CC1 1705907710 UWRDCFUXYGSNNS-UHFFFAOYSA-N 465.558 2.450 30 10 JEEE CO[C@H](C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1711506339 HEPZZKKDQRDSKW-QGZVFWFLSA-N 494.987 2.490 30 10 JEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(=O)c2ccsc2)CC1 1722308642 PAEBRLIJHQNJCJ-INIZCTEOSA-N 478.644 2.152 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1722444178 GKWAMFXWIMTRPI-VOQZNFBZSA-N 485.560 2.063 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2C[C@@H](C)N2CCN(CC)CC2)CC1 1722448531 DMKGIUXIIOKMHM-HSZRJFAPSA-N 491.684 2.169 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2CCN2CCC[C@H]2C)CC1 1722450651 OLLUXESVEVDXIZ-LJQANCHMSA-N 468.577 2.446 30 10 JEEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CCOCC)CC1 1722493565 IRBVGKJRPVTEPD-IRXDYDNUSA-N 458.401 2.069 30 10 JEEE C=C(C)COCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC(CO)CC1 1722528862 LHWYNWWCTIFBAI-UHFFFAOYSA-N 462.620 2.348 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCCN(C(=O)CCc2ccccc2)CC1 1722726856 IZPGMESAHHTMDU-UHFFFAOYSA-N 471.627 2.428 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1C[C@@](C)(O)c1ccco1 1723611883 FXHOMZKNUAOGGC-XMMPIXPASA-N 481.532 2.254 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCS(=O)(=O)N(C)C 1723777923 BUCVCQMLWJPDEG-INIZCTEOSA-N 483.639 2.022 30 10 JEEE CO[C@@]1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(CC(C)C)C(=O)[C@@H]2C)CCOC1 1729943059 CKQPSFIYXNJPNZ-MHECFPHRSA-N 452.559 2.315 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OCCC)c(OC)c2)n1CCN1CCN(C(C)=O)CC1 1740543082 IOSOZDJBFASCHE-IBGZPJMESA-N 468.602 2.365 30 10 JEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2ccsc2)CC1 1740573339 BFGIPAOBEWZXCR-SFHVURJKSA-N 461.613 2.008 30 10 JEEE C#CCN(c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@](C)(O)C(C)C)[C@H]1CCS(=O)(=O)C1 1740621716 ZDFYUKQLESFMNF-CYFREDJKSA-N 490.626 2.386 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCN1CCCCCC1=O 1740650600 HDZXBHHUPGTATD-UHFFFAOYSA-N 471.569 2.176 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccccc2Br)n1CCNS(=O)(=O)CC 1740651654 KATFFXROGDDZMP-UHFFFAOYSA-N 464.389 2.110 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCOc2cccc(C(F)(F)F)n2)CC1 1740705770 MDGKGBRDTRXCKH-QGZVFWFLSA-N 492.502 2.241 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(O)(Cc2cccc(C)c2)CC1 1740717364 QIPRFCQLJGBAPM-OAQYLSRUSA-N 488.679 2.429 30 10 JEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 1740719556 GWJDQMCZGDHEJL-QGZVFWFLSA-N 462.620 2.260 30 10 JEEE C#CCSCCn1c(Cc2ccsc2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1740720920 RFTLRBPKUDYONC-QGZVFWFLSA-N 453.659 2.062 30 10 JEEE C=C(Br)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1740739193 WHQKEVILRGMECE-UHFFFAOYSA-N 490.318 2.283 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1740751633 MYYCQXXLISTJCU-ZVDOUQERSA-N 467.574 2.259 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)Nc1c(C)cccc1C 1740941200 FDHJUAQYOGUUFV-SFHVURJKSA-N 461.588 2.075 30 10 JEEE C=CCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1740946207 ZXUFLUHVUHYACH-KRWDZBQOSA-N 485.614 2.188 30 10 JEEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 1740962423 CVAPETJZEMSCDL-UHFFFAOYSA-N 454.550 2.301 30 10 JEEE Cc1cc(C)n(C[C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCC(=O)NC(C)C)CCO2)n1 1742719517 DADNWBKGOLXCQL-QFIPXVFZSA-N 476.585 2.450 30 10 JEEE CC[C@@H](C)N(C)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@](F)(C#N)C1 1743857847 FIDMOGVMWJXFPJ-VGOFRKELSA-N 477.610 2.368 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C)N(CC)CC)c1 1748692378 GHMABXOWHDQVCZ-XLIONFOSSA-N 451.575 2.016 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@H](Cc1ccccc1)OC)[C@H]1CCS(=O)(=O)C1 1748819659 RDDACIRZHBWZOA-GOTSBHOMSA-N 479.606 2.148 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(C)cc1F)[C@H]1CCS(=O)(=O)C1 1748821690 SSONMWXBAAFDBZ-FQEVSTJZSA-N 470.574 2.262 30 10 JEEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1CCCn1cc(Br)cn1 1748830600 YYKCJSLCEZDMTH-HXUWFJFHSA-N 461.364 2.052 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1csc([C@@H](C)OC)n1 1748841952 CDEPXZRJPBTAHI-MRXNPFEDSA-N 473.562 2.477 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1748918686 NGXNAADVCLWVDT-NHCUHLMSSA-N 452.584 2.480 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@]2(O)CCC[C@@H]2C)CC1 1749001275 OSHREUSRTVEVMU-KSYXXAMZSA-N 472.634 2.355 30 10 JEEE C#CCSCCn1c(COc2ccc(Br)cc2)nnc1N1CC[C@@H](C(N)=O)C1 1749046884 JCCYVRKCPMHXQI-CQSZACIVSA-N 464.389 2.298 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCN(C2CCOCC2)CC1 1749680314 IOXPJNAYMNLULD-UHFFFAOYSA-N 474.993 2.114 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(-n3ccnc3)c(F)c2)C1 1749696702 CSXONMXCZNTYLF-WMZOPIPTSA-N 489.577 2.043 30 10 JEEE CC(C)COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2COCCO2)CC1 1750850913 AJKZETZDSVRXCG-HXUWFJFHSA-N 454.531 2.147 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H]1CC(=O)N(CCOC)C1 1760096944 XGJJARAIVQYVQQ-RTBURBONSA-N 452.559 2.100 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@H]1CC(=O)N(CCOC)C1 1760111763 SRJIKTNJFFYMPF-MOPGFXCFSA-N 491.596 2.189 30 10 JEEE C#CCN(C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@H](N1CCOCC1)C(F)(F)F 1760176145 ZRUSZXBNUQAKGJ-MSOLQXFVSA-N 451.449 2.123 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1ccnc(SC)c1)[C@@H]1CCS(=O)(=O)C1 1760188558 PGXWNBAMJJVWJK-MSOLQXFVSA-N 461.613 2.312 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H](C)Oc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1760188610 POZWBPWESODSQA-GGPKGHCWSA-N 476.574 2.405 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H](C1CCCCC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1760190193 UDNWISSSFVCGSF-YADHBBJMSA-N 470.643 2.477 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@]1(N2CCOCC2)CCSC1 1760253288 OIDJHWUBBKKCHU-OTPAQWSUSA-N 491.702 2.491 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2CCCn2ccnn2)CC1 1760256971 XXXJWBVWQBJJEH-UHFFFAOYSA-N 485.390 2.153 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H](C)CN2CCN(CC)CC2)CC1 1760264029 ZBJCFDZRARLGPK-WXFUMESZSA-N 485.721 2.226 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2CCCO[C@@H]2CCOC2)CC1 1760267490 NTDBURYCEZOOEQ-JOCHJYFZSA-N 467.570 2.115 30 10 JEEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2cccc(OCC)n2)CC1 1760355702 SMEZDUFIBRFXFX-UHFFFAOYSA-N 452.563 2.392 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCO[C@H](c2cccc(Br)c2)C1 1760523152 NSBQQAGYYMVRIU-SFHVURJKSA-N 484.358 2.378 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1760555873 PRPGMLPCFIOGHM-AWEZNQCLSA-N 486.520 2.144 30 10 JEEE CC(C)NC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1761261346 DQTJGILNIPDIQA-SFHVURJKSA-N 483.573 2.357 30 10 JEEE CCS(=O)(=O)N(C)CCCn1c(-c2cccn2C)nnc1N(C)Cc1ccc(C#N)cc1 1766699029 BVRBJWOPDSJFQQ-UHFFFAOYSA-N 455.588 2.463 30 10 JEEE CN(C)CC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1766936122 CWIIOXAIXQIIGU-RTWAWAEBSA-N 486.642 2.218 30 10 JEEE COC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1)OC 1769236605 AJVKODMJUITTRH-OAQYLSRUSA-N 458.526 2.071 30 10 JEEE CCN(C(=O)c1nc(C(=O)Nc2ccc(C#N)cc2)n2ccccc12)[C@H]1CCS(=O)(=O)C1 1858241916 LITSEIAYKBLGNO-KRWDZBQOSA-N 451.508 2.107 30 10 JEEE O=CC1CCN(C(=O)[C@@H](CCOc2ccccc2)N2CCN(c3ccc([N+](=O)[O-])cn3)CC2)CC1 1860616658 KEMQNXXALFMFMC-HSZRJFAPSA-N 481.553 2.387 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(O)c(O)c2)cc1F 1862637785 LYINKURIJMMFGT-OAQYLSRUSA-N 472.469 2.156 30 10 JEEE CC[C@@H](NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1)C(=O)N1CCC2(CC1)OCCO2 1868796870 YFJQVYQIFLGBJP-MOPGFXCFSA-N 460.600 2.285 30 10 JEEE O=C(NCCc1cnc[nH]1)[C@H](CSCc1ccccc1)N=C1NS(=O)(=O)c2ccccc21 1869932261 YMAHDTDNWANRDM-IBGZPJMESA-N 469.592 2.109 30 10 JEEE C=CCN(CC=C)c1nc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)n([C@@H]2CCS(=O)(=O)C2)n1 1870002624 RQESSKAIVFFQLW-GFOMBABLSA-N 472.527 2.376 30 10 JEEE C=CCn1cc(OCC(=O)NCCc2ccc(OC)cc2)c(=O)cc1CN1CCC2(CC1)OCCO2 1870643375 NAUVTNUOZDGLAJ-UHFFFAOYSA-N 497.592 2.120 30 10 JEEE CC(C)N1C(=O)CS[C@@H](C(=O)NC2CCN(C(=O)N(C)C)CC2)[C@H]1c1ccc(C#N)cc1 1890743837 UILGBPRLVLOWEM-NHCUHLMSSA-N 457.600 2.214 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N[C@@H]2COCCN(C(=O)OCc3ccccc3)C2)C1 2247564583 JTCQMWCRTLBZFN-PSWPWZSKSA-N 471.554 2.447 30 10 JEEE Cc1nn(C)c(C(=O)N2CCN(C(=O)OCc3ccccc3)CC2)c1B1OC(C)(C)C(C)(C)O1 2255622492 ABOZKWHJEJYWAK-UHFFFAOYSA-N 468.363 2.122 30 10 JEEE CC(C)(C)OC(=O)N1CC2(C1)CN(S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)C2 2255749811 AZNNHJRPPCKRPE-UHFFFAOYSA-N 470.422 2.289 30 10 JEEE Cn1ncc(CNC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)c1NC(=O)OC(C)(C)C 2267170933 COODNISDSABWQT-UHFFFAOYSA-N 463.369 2.453 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H](C)CN(C)C(=O)OC(C)(C)C)n1 2267527518 ISCWCSRZQAJEHT-HNNXBMFYSA-N 450.389 2.435 30 10 JEEE CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1COc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2269022420 ZMPWWIYQUPGXMH-MRXNPFEDSA-N 451.348 2.450 30 10 JEEE CN(Cc1ccccc1)C1(CNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CCOCC1 2281926419 NFJQFGKBHNOGFB-UHFFFAOYSA-N 454.380 2.120 30 10 JEEE Cc1nn(C)c(C(=O)N2C[C@@H](NC(=O)OC(C)(C)C)C3(CC3)C2)c1B1OC(C)(C)C(C)(C)O1 2281988549 NZNUJKPVCHQAMA-OAHLLOKOSA-N 460.384 2.157 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2CCC[C@]2(NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2282025491 PJCIMTNTDRJDNJ-CMJOXMDJSA-N 458.368 2.295 30 10 JEEE CC(C)(C)OC(=O)N1CC(N(C(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)[C@H]2CCOC2)C1 2282029426 RUDAJHQAOPIICE-AWEZNQCLSA-N 479.408 2.293 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)c1ccco1 2282031463 SIDDFHIJILJSSL-HNNXBMFYSA-N 458.324 2.365 30 10 JEEE C[C@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2282049534 APMXZKIIZCOCHF-SMDDNHRTSA-N 459.249 2.192 30 10 JEEE CC[C@H]1CN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282344591 CLWHFWVFCFXKJS-KRWDZBQOSA-N 481.424 2.401 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2F)[C@@H](CO)C1 2282397191 KSHFTOLRWZJDRC-MRXNPFEDSA-N 464.343 2.179 30 10 JEEE CC(C)(C)OC(=O)N1C[C@]2(C)CN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)C[C@]2(C)C1 2282580246 QLFNHPXJAGCUSH-ZRZAMGCNSA-N 460.384 2.428 30 10 JEEE Cn1cc(C(=O)NC[C@H]2C[C@@](F)(CNC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2282591479 QFDZUAZJCSSMDJ-CAJLXGCNSA-N 466.363 2.092 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(C(=O)OC(C)(C)C)[C@H](CCO)C1 2282595376 SXEMNKQLJAFRDW-OAHLLOKOSA-N 481.424 2.195 30 10 JEEE C[C@@H]1CCCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)[C@@H]1CNC(=O)OC(C)(C)C 2282626435 BOSXVVJDHRDNFY-NVXWUHKLSA-N 462.400 2.485 30 10 JEEE CC(C)(C)OC(=O)N1[C@H](CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)C[C@H]2COC[C@@H]21 2282630646 LLYFGCMBLDFUSR-JYJNAYRXSA-N 462.352 2.333 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CC(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2283944652 PXDFKVUMGNBAOE-CJNGLKHVSA-N 465.331 2.076 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1Cc2cccc(B3OC(C)(C)C(C)(C)O3)c2C1 2283951625 YAAGEXZEHIZMNV-QFBILLFUSA-N 458.364 2.198 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)NCc2cc(B3OC(C)(C)C(C)(C)O3)ccc2F)C1 2283982439 XNBUPYINXWRDMH-GOSISDBHSA-N 464.343 2.377 30 10 JEEE CO[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2284042080 RGJUQJFDLXDZJL-HZPDHXFCSA-N 481.424 2.331 30 10 JEEE C[C@@H](NC(=O)[C@@]1(O)CCCN(C(=O)OC(C)(C)C)C1)c1nscc1B1OC(C)(C)C(C)(C)O1 2284065738 LBFRUPZHCBVHAQ-JLCFBVMHSA-N 481.424 2.382 30 10 JEEE CCOC(=O)c1[nH]c(C)c(C(O)=C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccnc2)c1C 2296931394 KBPINALLIYUHDJ-JOCHJYFZSA-N 496.564 2.347 30 10 JEEE COc1cccc(C=NNc2nc3c(c(O)nc(=O)n3C)n2C[C@@H](O)COc2ccc(C)cc2)c1 2327754048 AJNBZQVRZFDYKL-QGZVFWFLSA-N 478.509 2.039 30 10 JEEE CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)Nc1cc(F)c(F)cc1B1OC(C)(C)C(C)(C)O1 2351773127 IUVMIBSFNWOBQS-MRXNPFEDSA-N 456.295 2.478 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCCC2CC(NC(=O)OC(C)(C)C)C2)n1C 2362495038 UFUYRFROZRULPN-UHFFFAOYSA-N 462.400 2.451 30 10 JEEE COc1[nH]c(=NC[C@@]2(C)CN(C(=O)OC(C)(C)C)CCO2)ccc1B1OC(C)(C)C(C)(C)O1 2365345911 KQGPQDTZMDJGTF-QHCPKHFHSA-N 463.384 2.249 30 10 JEEE CCCOc1ccc([C@H]2c3c(nc(N4CCC5(CC4)OCCO5)[nH]c3=O)NC(=O)[C@H]2C#N)cc1 72444231 DHVJRCCHGZLLMH-ZWKOTPCHSA-N 465.510 2.126 30 10 JEEE COc1ccc([C@H]2/C(=C(/O)c3ccccc3)C(=O)C(=O)N2CCN2CCOCC2)c(OC)c1 102537689 ZVFAYSNKVOUUCM-VFJWVMJUSA-N 452.507 2.458 30 10 JEEE COC(=O)c1[nH]c(C)c(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(C)cc2)c1C 103090476 YVMXKOLRQGLCHE-MBDQKHHZSA-N 481.549 2.480 30 10 JEEE CN1C(=O)[C@]2(/C(=C(/O)c3cc4ccccc4o3)C(=O)C(=O)N2CCN2CCOCC2)c2ccccc21 111917105 NRRFLEBPJNSZAR-MCQUKTMOSA-N 487.512 2.317 30 10 JEEE CCCCCCCCO[C@H]1O[C@@H]([C@@H](COC(C)=O)OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 145832485 YQYGIWWSRQRBBQ-CTWRKMMKSA-N 460.520 2.447 30 10 JEEE C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CC1 204865234 OMTAEKPLEBCLHF-OAHLLOKOSA-N 475.399 2.092 30 10 JEEE CSc1nc(O)c(C(=O)N2CCC[C@@H](NS(=O)(=O)c3cccc(F)c3)C2)cc1C#N 609203366 QGRYNXSOMXPDDL-CQSZACIVSA-N 450.517 2.103 30 10 JEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)[C@@H](c2ccccc2)N2CCCCC2=O)CC1 609420353 PYMNZHYNFQNBFW-HSZRJFAPSA-N 466.563 2.145 30 10 JEEE N#Cc1ccccc1CSCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)C[C@@H]2CCCO2)cc1 609435641 CBFZCBBZUDRGPR-FQEVSTJZSA-N 487.603 2.499 30 10 JEEE CCCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccc(C)cc1C 729668457 JZWIUAFGKLZNBT-UHFFFAOYSA-N 457.559 2.193 30 10 JEEE C#CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCOC[C@H](C(=O)O)C1 757462593 XNASROOQZBQUIP-UZUQRXQVSA-N 462.502 2.477 30 10 JEEE COc1ccc(NC(=O)CSc2nnc(NN=Cc3ccc(OC)c(OC)c3)n2N)c(OC)c1 1084221592 GJWJNHDUCQJLPI-UHFFFAOYSA-N 487.542 2.203 30 10 JEEE COc1cc(C=NNc2nc(SCC(=O)NCCc3ccc(F)cc3)n[nH]2)c([N+](=O)[O-])cc1O 1084456268 ABWJKTIJWYWRCX-UHFFFAOYSA-N 489.489 2.463 30 10 JEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(CC(=O)Nc2cc(C)on2)CC1 1135900824 AWPKLGWJDBPQFH-HNNXBMFYSA-N 455.943 2.102 30 10 JEEE C#CCN(C(=O)c1cc(S(N)(=O)=O)cn1C)[C@H]1CCOc2ccc(Br)cc21 1136804830 MIHJZIBVPLPWPB-HNNXBMFYSA-N 452.330 2.034 30 10 JEEE N#Cc1cccc(-c2cnc(CNC(=O)CCS(=O)(=O)c3ccc4c(c3)OCCO4)[nH]2)c1 1137430197 GKFJXPBBSCCJRX-UHFFFAOYSA-N 452.492 2.200 30 10 JEEE CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1O 1142750691 AQKULKDQPDFGTN-UHFFFAOYSA-N 456.568 2.252 30 10 JEEE C#CCNC(=O)CN1CCN(C(=O)c2c(F)ccc(C(F)(F)F)c2Br)CC1 1157008667 ASSHECNCAGDFBG-UHFFFAOYSA-N 450.230 2.114 30 10 JEEE N#CCc1cccc(S(=O)(=O)NCC2(N3CCN(c4ccccc4)CC3)CCOCC2)c1 1190346437 HBUUHXKWLGWCEE-UHFFFAOYSA-N 454.596 2.402 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(Cl)c(OCC)c(OC)c1 1286276761 YUOUHFMBDOEXTG-KBPBESRZSA-N 469.995 2.455 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CCc1sccc1C)[C@H]1CCS(=O)(=O)C1 1286381218 FQUMVXPPUSWWQB-AVRDEDQJSA-N 478.640 2.170 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2ccccc2F)n1CCc1ccn(C)n1)[C@H]1CCS(=O)(=O)C1 1286383647 DNQYCLFTUYYHIC-MJGOQNOKSA-N 486.573 2.160 30 10 JEEE C#CCN(c1nnc(COc2ccccc2OC)n1C[C@@H]1CCO[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1286394227 HVORICCBESPNHI-AQNXPRMDSA-N 488.610 2.308 30 10 JEEE C#CCN(c1nnc(CSc2ccc(C)cc2)n1CCc1n[nH]c(C)n1)[C@H]1CCS(=O)(=O)C1 1286395025 KYOZDAUJRQOFGO-SFHVURJKSA-N 485.639 2.175 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1Cc1cccnc1OC)[C@H]1CCS(=O)(=O)C1 1286396306 PCWFRECUPFEPQF-FQEVSTJZSA-N 481.578 2.244 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(F)(F)Br)CC1 1286485129 VOXWTXBFINJQLZ-UHFFFAOYSA-N 465.302 2.472 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCN(C(C)C)C(C)C)CC1 1286486341 LMXUJAKWBIXIKD-UHFFFAOYSA-N 480.617 2.010 30 10 JEEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(c2nc(C)ns2)CC1 1286537501 DOJGPYYEWQNUMV-CYBMUJFWSA-N 467.397 2.014 30 10 JEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(CN3CCC(O)CC3)cc2)CC1 1286637631 JALKMRDRHJQBIX-LJQANCHMSA-N 488.658 2.050 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCCCN2CCCC)CC1 1286647097 ZATYTROBUOIEKU-RTWAWAEBSA-N 480.679 2.422 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCN2C[C@H](C)O[C@H](C)C2)CC1 1286663171 HUFXTPGDSZHPCG-NSHGMRRFSA-N 451.637 2.082 30 10 JEEE C=CCCOCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](C(=O)NC)C1 1286710684 BYNRAOANNRSSPO-RTBURBONSA-N 492.621 2.142 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c(-c2noc3c2COCC3)nnc1N1CCS(=O)CC1)C(C)C 1286751043 LJQHYJCXRRREQT-LJQANCHMSA-N 474.631 2.273 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1286778892 BLXQJBHQBNLTGE-YLJYHZDGSA-N 490.555 2.396 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](CNC(=O)c2ccccc2)C1 1286788230 SIBHTFJXIQONER-TZIWHRDSSA-N 466.586 2.468 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCN(Cc2cn3ccccc3n2)CC1 1286822027 YEWBDMVRXZLGCN-UHFFFAOYSA-N 471.631 2.047 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H](CC)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1300482806 HVDIICNMGCOCRA-VXKWHMMOSA-N 466.611 2.318 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1300495659 JEBZJRKMJOYVJH-PMACEKPBSA-N 458.584 2.050 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1cccc(Br)n1)[C@@H]1CCS(=O)(=O)C1 1300495692 JOEDTEDCZQDADY-IAGOWNOFSA-N 494.415 2.352 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCn1cc(Cl)cn1)[C@H]1CCS(=O)(=O)C1 1300499976 ZXMSUFMHLBQZFI-IBGZPJMESA-N 476.965 2.185 30 10 JEEE C#CCN(c1nnc(CCOc2ccccc2)n1C[C@@H]1CCC[C@@H](O)C1)[C@@H]1CCS(=O)(=O)C1 1300501934 ONNGIQMDQVXPOA-NJDAHSKKSA-N 472.611 2.077 30 10 JEEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCNC(=O)C(C)C 1300632027 ZVJHHNLRJDEGFL-GOSISDBHSA-N 462.595 2.208 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC(=O)NC(C)C)CC1 1300718926 ZHZUGUKPOWJTIM-UHFFFAOYSA-N 460.941 2.228 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CCO[C@H]2C(=C)C)CC1 1300728704 DNCHNCAFBKRAQT-GGAORHGYSA-N 465.602 2.087 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1300731163 DBCZTFFPYNZFHO-UHFFFAOYSA-N 495.609 2.034 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(n2cc(Cl)cn2)CC1 1300761957 FIZXTTRTJVHJFT-HNNXBMFYSA-N 469.036 2.238 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](c2ccccc2)N(C)C)CC1 1301123375 BWKVKZNSMGLDCB-FCHUYYIVSA-N 488.658 2.316 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1301493395 XTPQAVWOFXDJAO-DPOKWSEZSA-N 485.585 2.427 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1301508603 NSPWOPBBPCCSSW-UHFFFAOYSA-N 456.616 2.462 30 10 JEEE COCCN(C)CCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1301735547 COZYAAKZBBLITR-QHCPKHFHSA-N 478.601 2.168 30 10 JEEE CC(C)(C)OC(=O)NCCn1c(-c2ccc[nH]2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1302274734 FKASBNLODPCVQA-UHFFFAOYSA-N 463.546 2.391 30 10 JEEE C#CCN1CCC[C@@H](NC(=O)c2ccc(OS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)cc2)C1 1303558330 XVIIUVKPYVTASM-GOSISDBHSA-N 457.508 2.498 30 10 JEEE COc1ccc(Br)c(-c2nnc(N(C)C[C@H](C)C#N)n2CCNC(=O)c2cc[nH]n2)c1 1315362049 BKFOBLKEXLNSDT-CYBMUJFWSA-N 487.362 2.465 30 10 JEEE N#C[C@H]1CSCCN1C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 1357871150 BAQYFOPSZCZAFG-HIFRSBDPSA-N 458.403 2.317 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](OC)C(C)(C)C)c1 1358902228 HVZZJWYCHNRKNW-QUCCMNQESA-N 487.626 2.298 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@H](c1ccccc1)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1358955554 ODFXXPUKNVOPJQ-YADHBBJMSA-N 485.654 2.276 30 10 JEEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1CN(C(=O)OC(C)(C)C)C1 1358970116 GDBKPEPFJUGYDH-XMMPIXPASA-N 457.575 2.258 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(N2CCCC2)CCOCC1 1359002464 AEQMDNKMCQHOEU-UHFFFAOYSA-N 471.627 2.453 30 10 JEEE C#CCSCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC[C@H](NC(C)=O)C1 1359060457 VXYPETLNRFPOMU-QHCPKHFHSA-N 495.697 2.114 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1C[C@H](C)CN1CCN(CC)CC1 1359064903 CHTVAYOJVKHOAR-NQHRYMMQSA-N 458.651 2.196 30 10 JEEE C=C(C)COCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(CC(F)(F)F)CC1 1359129423 BDMBRCRMMXITKD-UHFFFAOYSA-N 477.495 2.198 30 10 JEEE C=CCCOCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1359223939 AQWZZKVWZDLTPM-UHFFFAOYSA-N 490.967 2.258 30 10 JEEE C=CCCOCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(CC(N)=O)CC1 1359227717 JOYBLFXDJMSRTP-IBGZPJMESA-N 492.621 2.271 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1359297318 MPWKOPFZUXZFJK-CABCVRRESA-N 462.304 2.124 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 1359303615 VLRPEGOOOSCBMH-UHFFFAOYSA-N 467.555 2.467 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC(C)=C(Br)C2)nnc1[C@]1(OCC)CCOC1 1359305487 DTZMJAQLORCEEW-IBGZPJMESA-N 454.369 2.111 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCCc2ccccc2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1359334522 IVJVNHZZRGBBPH-HYBUGGRVSA-N 474.627 2.438 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1 1359557126 DAGAVWYKLYVDSJ-GCKMJXCFSA-N 482.582 2.022 30 10 JEEE CCOC(=O)c1c(NC(=O)N[C@H]2C[C@@H](C)N(c3ccccc3)C2=O)c(C#N)cn1CCOC 1466104039 BACBUCLQHSWHSA-QAPCUYQASA-N 453.499 2.498 30 10 JEEE C[C@@H](c1ccncc1)N1CCC(NC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 1466252926 FLNSEIJBMJNOQV-SJORKVTESA-N 455.584 2.241 30 10 JEEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(I)cc1 1507679043 GAAVFJCNOOGKJV-CYBMUJFWSA-N 487.367 2.001 30 10 JEEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@](C)(O)c1ccco1 1507711311 TUUYQFARPUYMHH-DEOSSOPVSA-N 465.558 2.039 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccc(C)c(OC)c2)CC1 1507736512 QPBRJYBIWRCOHE-AREMUKBSSA-N 481.597 2.261 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ncc(CC)s2)CC1 1507737173 ZGTMGEDEJAEKGW-XMMPIXPASA-N 486.642 2.352 30 10 JEEE C#CCSCCn1c(N2CCC(Nc3cccnn3)CC2)nnc1[C@]1(OCC)CCOC1 1507757732 BMVGDZWRJJFZIH-QFIPXVFZSA-N 457.604 2.168 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccccc2F)nnc1N1CCN(S(C)(=O)=O)CC1 1507803848 JGKOMOPOBYMBQF-GHTZIAJQSA-N 463.579 2.071 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCN2CCCC[C@@H]2CC)CC1 1507902012 HKCPVEDYULEMIH-LEWJYISDSA-N 480.679 2.278 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCCN(CC(C)C)C2)CC1 1507902521 KGOKJKPGVGHXQS-YADHBBJMSA-N 494.706 2.381 30 10 JEEE C=CCN(CC=C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(S(C)(=O)=O)CCC1 1508014585 BHKHBSUKQPNPEQ-UHFFFAOYSA-N 464.613 2.494 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](OCC=C)C1 1508097892 LZXCFZFYUZOJME-MSOLQXFVSA-N 460.579 2.434 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(C(=O)NCC)CC1 1508136063 PCPJCMLRNOUTRK-UHFFFAOYSA-N 497.021 2.059 30 10 JEEE CC(C)NC(=O)c1nnc(N(C)[C@@H](C)CC#N)n1Cc1ccccc1CN1CCC[C@H]1CO 1509577534 GEMHTAPXKJBNNP-RXVVDRJESA-N 453.591 2.160 30 10 JEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CC1([S@](C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1539205301 GOAYPHLRPVUVCM-JWRCQZCYSA-N 467.016 2.136 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 1539488867 DGHKWOLJECNZME-WOJBJXKFSA-N 486.617 2.495 30 10 JEEE C#CCSCCn1c(COc2cc(C)ccc2C)nnc1N1CCC(NS(C)(=O)=O)CC1 1539525929 GDRWZUQVLBCHPL-UHFFFAOYSA-N 477.656 2.358 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1CCS(=O)(=O)C1 1539533954 JNPDHSRANFJONM-HTAPYJJXSA-N 476.002 2.288 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1CCc1c(OC)cc(OC)cc1OC 1539556569 RCJITCIZDOVUKW-HOYKHHGWSA-N 453.543 2.490 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1CCCN(Cc2ccccc2)C1 1539704807 IZWLGMVKMRCBCM-YADHBBJMSA-N 488.658 2.288 30 10 JEEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@]2(CCc3ccccc32)C1 1539731032 WDUCEDNPHCCALX-WZONZLPQSA-N 475.615 2.159 30 10 JEEE C=CCC(C)(C)Cn1c(-c2cnccn2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1539912523 MHCOKEZJGWWEOE-GHTZIAJQSA-N 452.607 2.326 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1540897820 SXLOTAGAYYDGMZ-DLBZAZTESA-N 479.578 2.215 30 10 JEEE CC(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1541547966 ANCSUQBRKYQUOT-FQEVSTJZSA-N 458.588 2.104 30 10 JEEE C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCN1CCOC(C)(C)C1)N1CCOCC1 1541840128 DGMXUHYVKCEGKK-HXUWFJFHSA-N 467.618 2.084 30 10 JEEE COCCCNC(=O)N1CCN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@H]1C(=O)NC1CC1 1548369484 IXABVOFYIDSPAR-SFHVURJKSA-N 453.465 2.092 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(C)(C)SC)c1 1587683302 GVFBZEJMQBDTOJ-OAHLLOKOSA-N 478.644 2.086 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@](C)(O)CCC(C)C)c1 1587692211 AFLMVOJGHNHZMQ-NBGIEHNGSA-N 466.586 2.473 30 10 JEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1587823700 WHGZSWHUEHBFBL-SIKLNZKXSA-N 471.627 2.309 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H](C)SC)[C@@H]1CCS(=O)(=O)C1 1588034781 LUSATGVFYFRMJT-TZMCWYRMSA-N 472.434 2.414 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCOc1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 1588055454 VYSMQTVIGCVSSJ-AEFFLSMTSA-N 464.975 2.141 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(OC)ccc2Br)n1CCS(=O)(=O)NC(C)C 1588099205 JJLPYLQJWUMLLM-UHFFFAOYSA-N 494.415 2.117 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccnc(C(F)(F)F)c2)CC1 1588732855 HZKREFBCRSRILZ-UHFFFAOYSA-N 470.459 2.143 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCOc1ccc(Cl)cn1 1589150717 JLMSXNUSEGDVMY-AUUYWEPGSA-N 452.968 2.008 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C(F)(F)F)cc1 1594962335 KHXIYTXYQAJYSV-INIZCTEOSA-N 459.494 2.300 30 10 JEEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN([C@@H](C)c2nc(C3CC3)no2)CC1 1595550338 CRVBSKYHNTVUIP-INIZCTEOSA-N 456.595 2.313 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCN(CC(C)C)C(=O)C1 1595765583 DTDHENBCGUPSHY-UHFFFAOYSA-N 497.625 2.241 30 10 JEEE CC(C)NC(=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1608242289 BDXXTZUWUOWMRG-RTBURBONSA-N 453.591 2.424 30 10 JEEE CCN(CC)[C@@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1615347602 AFRMWJZTXRXKLS-ICSRJNTNSA-N 473.647 2.313 30 10 JEEE COC(=O)[C@@H]1CN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C[C@@H]1c1ccccc1 1654649320 DBOOITUKQRFPST-NJDAHSKKSA-N 452.580 2.346 30 10 JEEE COC(=O)c1csc(S(=O)(=O)N2CCN(C(=O)Nc3ccc(F)cc3C#N)CC2)c1 1675089920 GBTSJCVJPZTEAJ-UHFFFAOYSA-N 452.489 2.084 30 10 JEEE N#Cc1ccc(N2CCN(C(=O)NCCN3CCN(C(=O)C4CCCCC4)CC3)CC2)cc1 1679195248 BRTSGBOOSZXHGX-UHFFFAOYSA-N 452.603 2.114 30 10 JEEE C#CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1689892592 IQIKMKSWMDKFFN-FQEVSTJZSA-N 471.631 2.269 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@@H]1OCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1689994101 RDXJXJIJVCZJAH-MSOLQXFVSA-N 463.629 2.076 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@@](C)(O)c2ccccc2)CC1 1690148340 DANNEPAVUMXBGL-AREMUKBSSA-N 458.566 2.137 30 10 JEEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(OCCOC)CCOCC1 1690523870 RFHWWPNZZQNDOI-UHFFFAOYSA-N 468.558 2.026 30 10 JEEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C(C)C)N2CCCC2)CC1=O 1698087263 DBYXCEGLVKYYLM-QFIPXVFZSA-N 465.602 2.232 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 1705495154 LJARAJUZGXSFRK-OKZBNKHCSA-N 465.620 2.285 30 10 JEEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CC1(CN2CCOCC2)CCCCC1 1705540994 VUTBWOGDSICBNQ-UHFFFAOYSA-N 451.575 2.278 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H]1CCCN(CC(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1705564819 QLJFYKVYPLPWHA-RBBKRZOGSA-N 470.643 2.335 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCc1cccc(C(=O)N(C)C)c1)[C@H]1CCS(=O)(=O)C1 1705567287 VLTIAOGKZMTEQK-FCHUYYIVSA-N 499.637 2.091 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@](C)(O)C(C)C)CC1 1705645574 YAIWCBHMLORSAU-QFIPXVFZSA-N 491.434 2.419 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2CC(=O)NC(C)C)CC1 1705647649 JRXCHLUJHNPJJS-UHFFFAOYSA-N 475.553 2.091 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC(=O)NCC1CC1 1705670334 PYDNGNSYWKHFFD-XMMPIXPASA-N 453.543 2.489 30 10 JEEE C=C(C)COCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1705735591 BGVLWVKTKLPTAX-SJORKVTESA-N 488.614 2.043 30 10 JEEE C=C(Cl)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 1705750499 FHGORXKUPNYECM-LJQANCHMSA-N 479.006 2.446 30 10 JEEE C=C1CCN(c2nnc(CNC(=O)c3cccs3)n2CCCN2CCN(CC)CC2)CC1 1705771150 JMZXVHBIZGQDMI-UHFFFAOYSA-N 457.648 2.454 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCCOC(C)C)CC1 1705782477 XQYGKXZMHOQSMS-IBGZPJMESA-N 455.625 2.219 30 10 JEEE C=CC[C@@H](Cn1c(Nc2ccn(C)n2)nnc1[C@@H]1CN(S(C)(=O)=O)CCO1)c1ccccc1 1705797894 GFQMMRUEUWLGKC-OALUTQOASA-N 471.587 2.448 30 10 JEEE C=CCC(C)(C)Cn1c(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)nnc1[C@]1(OCC)CCOC1 1705802789 WGGPNFGMIIFJEA-CPJSRVTESA-N 474.650 2.275 30 10 JEEE C=CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCc2nccn2C1 1705881889 FKHYHUOKQAOOTP-SFHVURJKSA-N 470.599 2.447 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CCN2[C@H](C)CC[C@H]2C)CC1 1705898076 ACLOBODEQOUMQQ-RTBURBONSA-N 487.052 2.291 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1705898274 HBGQTSNOBYJYFR-UHFFFAOYSA-N 499.019 2.355 30 10 JEEE CCN1CCN(CCCn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H](CNC(C)=O)C2)CC1 1710298383 BKPUVFPAVMTCND-HSZRJFAPSA-N 478.645 2.197 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(Br)cc2)n1CCS(=O)(=O)NC(C)C 1722379369 GNMOVWOFNXDFNE-UHFFFAOYSA-N 464.389 2.108 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3OCC)n2C[C@H]2CCOC[C@H]2OC)CC1 1722441277 JREWONAXZXTJBU-NFBKMPQASA-N 469.586 2.063 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC2C[C@@H](C)O[C@H](C)C2)CC1 1722452762 KOJTZXZQDRDFNZ-UBBRYJJRSA-N 473.618 2.172 30 10 JEEE C#CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1722465665 RCVSLTGIUJXMIL-NRFANRHFSA-N 485.610 2.060 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1722494157 LSSFDAHDGRQJMB-GIVPXCGWSA-N 470.530 2.176 30 10 JEEE C=CCC(C)(C)Cn1c(COCC)nnc1N1CCN(c2cc(N3CCOCC3)ncn2)CC1 1722589258 GMYGCKDLTYISFL-UHFFFAOYSA-N 470.622 2.370 30 10 JEEE C=CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)NC)CC1)c1ccccc1 1722594384 KNWBOHGUIVGONA-YLJYHZDGSA-N 474.631 2.211 30 10 JEEE CC[C@@H]1CCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1727700817 HLAGPAWMKPDZKY-DFQSSKMNSA-N 486.646 2.308 30 10 JEEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCC[C@H]2C)C[C@H]1C 1730798883 HDUQBXOLMZZEMY-UMEGOILYSA-N 468.602 2.437 30 10 JEEE CS[C@@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1)C(C)(C)C 1731053331 GGWFHKCNFBFMHX-IRXDYDNUSA-N 470.665 2.129 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1CCCCN(C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1740628037 VBVPKIMLRFJSHH-UNMCSNQZSA-N 471.627 2.325 30 10 JEEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCS(=O)(=O)C(C)(C)C 1740656226 IYOCIDZQVJIGMG-UHFFFAOYSA-N 483.642 2.128 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCn1cccn1 1740677647 YWEHOBVKHWNTMZ-LJQANCHMSA-N 456.547 2.246 30 10 JEEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCCN2CCC(O)CC2)CC1 1740699503 JJHBZCZYFASMMC-UHFFFAOYSA-N 466.630 2.076 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCc2ccc(OC)cc2)CC1 1740708390 NYQWSYNUVOVRJI-UHFFFAOYSA-N 475.597 2.357 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1cccc(C(=O)N(C)C)c1 1740730888 KROAQRDDMYXHOM-HYBUGGRVSA-N 469.611 2.117 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C(C)C)C1 1740762834 WEFZAAPJDWIWNA-YRPNKDGESA-N 467.636 2.075 30 10 JEEE C=CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(S(=O)(=O)N(CCC)CCC)CC1 1740945258 TVXNFJLXBAWLLT-UHFFFAOYSA-N 490.630 2.391 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CCO[C@H](Cn2cccn2)C1 1740954175 DQQHILAUZQUALT-AWEZNQCLSA-N 492.403 2.173 30 10 JEEE CC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C(C)C)N2CCOCC2)C1 1741073579 DWYYDPQSORLKNA-GOTSBHOMSA-N 465.602 2.278 30 10 JEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCC(=O)N1CCCCCC1 1748771813 OGNHPCVZQDEACA-UHFFFAOYSA-N 471.631 2.409 30 10 JEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2OCC)CC1 1749034023 UQKHUNHIYMNXAL-SFHVURJKSA-N 454.600 2.321 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccc2OC)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1749133175 IRFSSSFIZZBOMP-SMOZNVCYSA-N 470.570 2.219 30 10 JEEE C=C(C)COCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@H](NC(=O)CC)C1 1749219464 ILFVYZSOYJJIGV-IBGZPJMESA-N 465.562 2.009 30 10 JEEE C=C(Cl)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1749257076 IELAWKXFJWGSFK-LJQANCHMSA-N 476.990 2.200 30 10 JEEE COC[C@H](Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC[C@](C)(C#N)C1)OC 1749344071 FJILPMGLPGEKFB-JYFHCDHNSA-N 481.645 2.434 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1[C@H](C)CCN1C(=O)OC(C)(C)C 1749489141 RMZYXTZKCQABJG-ZACQAIPSSA-N 453.609 2.448 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H]1CCOC1 1749547653 VOEPANOBFSMNDQ-NQIIRXRSSA-N 493.605 2.369 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCCN2CCC[C@H](C)C2)C1 1749713251 QPTMMQNMCKCFHC-PCCBWWKXSA-N 465.664 2.474 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@H](OC)C(C)(C)C1 1749726777 DMYGKKVTVZIMMO-IBGZPJMESA-N 464.588 2.424 30 10 JEEE C=CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H](C)CC(N)=O 1749755692 JXUASGOQGPGFJS-JKSUJKDBSA-N 468.624 2.206 30 10 JEEE C#CCCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(NC(=O)COC)CC1 1760138956 NHJFRIBBRMKPII-OAQYLSRUSA-N 453.543 2.326 30 10 JEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccnc(-n2cccn2)c1 1760175584 MXEYKMRBTREQOU-IBGZPJMESA-N 478.557 2.285 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCOc1ccccc1)[C@H]1CCS(=O)(=O)C1 1760186938 BIMKXVCUGOOVOY-IBGZPJMESA-N 451.552 2.354 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1(O)CCCC1)[C@@H]1CCS(=O)(=O)C1 1760192334 HRFKEURNMDAVAQ-GUDVDZBRSA-N 464.632 2.129 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1([S@](C)=O)CCC1 1760235269 HSUKQAOARMILBK-IQVDJAOASA-N 465.620 2.347 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC2(O)CC2)n1 1760252793 VSDRHGXQIDZLOD-FQEVSTJZSA-N 499.616 2.358 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@H](COC)OC)CC1 1760266776 LYPIRABMZKNHBM-LJQANCHMSA-N 490.402 2.335 30 10 JEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2cc(F)cc(C)c2C1 1760275317 VHMBSCPSAJDACE-OAHLLOKOSA-N 451.593 2.265 30 10 JEEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1760278084 YIQXCEHBCYMETD-DEOSSOPVSA-N 493.681 2.414 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccc(Cl)cc2C1 1760346116 IXVVCDOWPAYMSC-GOSISDBHSA-N 451.980 2.403 30 10 JEEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 1760373773 BRJDMOVRBBCWKN-INIZCTEOSA-N 484.409 2.435 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1760526196 HFADDZOMKUVWAC-LJQANCHMSA-N 470.574 2.491 30 10 JEEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1760526234 INGUIGDDFNNKPE-NRFANRHFSA-N 465.558 2.262 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1760551156 VIRCHJZPUBQKIV-IUKKYPGJSA-N 476.599 2.327 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1760553275 QQRKLCUIHFTARU-KRWDZBQOSA-N 471.587 2.121 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1760557252 FRGANEMQTVPIRS-SKPFHBQLSA-N 474.627 2.437 30 10 JEEE COc1cc(C)cc(Cn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@@H](C#N)C2)c1 1768248954 FMNYYZVAMXEJJR-SFHVURJKSA-N 452.540 2.364 30 10 JEEE C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@@H](N1CCN(C(=O)OC(C)(C)C)CC1)C(F)(F)F 1772665802 KNOTWOFEZAZQJG-HRCADAONSA-N 450.502 2.360 30 10 JEEE CCO[C@]12O[C@H]1C[C@@]1(CC[C@H]3[C@H]4[C@H](C(=O)OC)[C@@H](O)C5=CC(=O)CC[C@]5(C)[C@]45O[C@@H]5C[C@@]31C)O2 1848433028 UEHLHDISHRGLLG-OLQLASCDSA-N 474.550 2.268 30 10 JEEE COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CCCNC=O)cc(Cl)c1O 1862634914 WYNWZRXBPKHUGV-IBGZPJMESA-N 488.880 2.497 30 10 JEEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCNC(C)=O)[C@H]2c2cc(OC)c(O)c(OC)c2)c1 1862707750 CZAKXAXOUGJGGN-FQEVSTJZSA-N 470.478 2.132 30 10 JEEE N#C[C@H](c1cccs1)N1CCC(C(=O)NCC(=O)N2CCN(Cc3ccccc3)CC2)CC1 1868782514 JRPMTTDLSBGGNP-JOCHJYFZSA-N 465.623 2.485 30 10 JEEE C#CCOc1cn(CCc2ccc(OC)cc2)c(CNc2ccc(S(N)(=O)=O)cc2)cc1=O 1871006590 NFDBTCOUHJDACH-UHFFFAOYSA-N 467.547 2.371 30 10 JEEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)N3CCC(C[C@H]4NC(=O)N(C)C4=O)CC3)n[nH]2)c1C 1891156411 AECVFMWUBSEBBU-GOSISDBHSA-N 453.547 2.259 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@H](C(=O)NCCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2180959554 FPLNIHDVWCXTRT-IBGZPJMESA-N 460.380 2.280 30 10 JEEE CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2180969808 ZLIRDQTUWXJRGZ-KRWDZBQOSA-N 462.352 2.405 30 10 JEEE Cc1nc(NC(=O)CSCCNC(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2256617341 IMFGDNGDPVFLEY-UHFFFAOYSA-N 452.386 2.281 30 10 JEEE C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2256618113 OPKVGGSTIWRECF-DVOMOZLQSA-N 454.398 2.499 30 10 JEEE Cc1cc(CNC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)O)sc1B1OC(C)(C)C(C)(C)O1 2256624784 OWQONERSJMXTAR-DZGCQCFKSA-N 454.398 2.246 30 10 JEEE Cc1csc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2O)c1B1OC(C)(C)C(C)(C)O1 2267539500 QZWSVPYSKFLYBW-HUUCEWRRSA-N 466.409 2.456 30 10 JEEE CC(C)(C)OC(=O)NCc1n[nH]cc1C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2268712055 PPYUMIADXMPDMF-UHFFFAOYSA-N 463.369 2.120 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@H](C(=O)N3CC=C(B4OC(C)(C)C(C)(C)O4)CC3)O[C@@H]2C1 2279909196 RPEHRRCTUFPJOB-RCCFBDPRSA-N 464.368 2.180 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1COC[C@@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2281770841 AANPCLGZWPZFJC-YJBOKZPZSA-N 464.343 2.394 30 10 JEEE CCc1nc(C(=O)N[C@@H]2COCCN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2282018253 VDYCFMFZBQLHIW-AWEZNQCLSA-N 481.424 2.370 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H]3CCC[C@@]3(NC(=O)OC(C)(C)C)C2)n1 2282037991 CDLGGNNWMAYIKG-IQMFZBJNSA-N 460.384 2.239 30 10 JEEE Cc1cccc(C(=O)N2C[C@@H](O)C[C@H]2CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2282124480 JJQWMZKWXWSCDK-IRXDYDNUSA-N 460.380 2.394 30 10 JEEE CC(C)(C)OC(=O)NCCOCCCNS(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2282339233 SGQQLXOVEDGWPQ-UHFFFAOYSA-N 484.424 2.196 30 10 JEEE CCN(C(=O)OC(C)(C)C)[C@H]1CCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)nn(C)c2C)C1 2282592822 IJXAVHJMPBISHC-INIZCTEOSA-N 462.400 2.499 30 10 JEEE Cn1nc(C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C(F)(F)C2)cc1B1OC(C)(C)C(C)(C)O1 2282611199 HZEGSWAWAFDIEW-AWEZNQCLSA-N 470.326 2.094 30 10 JEEE CC[C@@]1(NC(=O)OC(C)(C)C)CCCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)C1 2282684892 XJWSAZXTNDDRJN-JOCHJYFZSA-N 463.388 2.024 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)N1Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C1 2283942419 IYRLSPZKVNENML-IBGZPJMESA-N 458.364 2.464 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)sc1CNC(=O)[C@@H](CCC(N)=O)NC(=O)OC(C)(C)C 2284053772 SOZDNHALTXCEPS-CQSZACIVSA-N 481.424 2.131 30 10 JEEE COC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)c(OC)c1 2289458576 RTOZRKXPMJJLIK-QGZVFWFLSA-N 464.368 2.150 30 10 JEEE CCCN(CCC)C(=O)COc1ccc(C=Nn2cnnc2SCC(=O)OC)cc1OC 2321299255 KKFVJKCBRDNNBW-UHFFFAOYSA-N 463.560 2.461 30 10 JEEE Cc1scc(C(=O)N[C@]2(CO)CCN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2343502837 UCROHVCWUGDWRK-JOCHJYFZSA-N 466.409 2.457 30 10 JEEE Nn1c(N/N=C/c2cc(Cl)ccc2O)nnc1SCC(=O)Nc1ccccc1[N+](=O)[O-] 21320061 FKPMCTYDTBBTTH-DNTJNYDQSA-N 462.879 2.436 30 10 JEEE C=CCn1c(SCC(=O)Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)nnc1C1CC1 59911857 RDXNAMQTMWVNAH-UHFFFAOYSA-N 476.628 2.008 30 10 JEEE CN(C)S(=O)(=O)c1ccc(/C(O)=C2/C(=O)C(=O)N(CCN3CCCCC3)[C@@H]2c2cccnc2)cc1 102436362 JWUSEUQQZRFVDJ-RKKARLDVSA-N 498.605 2.240 30 10 JEEE COc1ccc(-n2c(=C(C#N)C(=O)NCC(C)C)sc(=Cc3ccccc3)c2=O)cc1F 522625858 DSBSLTFXXMOXRS-UHFFFAOYSA-N 451.523 2.322 30 10 JEEE C#Cc1cccc(NC(=S)N2CCN(S(=O)(=O)c3cc(S(C)(=O)=O)ccc3C)CC2)c1 726469779 RVPKQFDMGMXBOY-UHFFFAOYSA-N 477.633 2.083 30 10 JEEE COCCn1cc(C=NNc2nnc(SCC(=O)C3C4CC5CC(C4)CC3C5)n2N)cn1 1084429455 ULLLOJTYVNQPNQ-UHFFFAOYSA-N 458.592 2.014 30 10 JEEE C#CCN(c1nnc(C(C)C)n1C[C@@H](C(CC)CC)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1286386218 WPKLXYPUNGQKQF-RTWAWAEBSA-N 465.664 2.165 30 10 JEEE C#CCN(c1nnc(-c2ccccc2)n1CCC(=O)NC1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1286387946 XBWYPTYQCVSKNP-OAQYLSRUSA-N 469.611 2.411 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCCCOc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1286388872 CLRRGCCQNQVKDA-NRFANRHFSA-N 482.610 2.473 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H]1CN(CC(C)C)CCO1 1286426059 ICIAFCHLURTNDK-FQEVSTJZSA-N 473.581 2.414 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@](C)(O)c2ccsc2)CC1 1286490381 SOCGXVCCTGYZBZ-QHCPKHFHSA-N 450.568 2.275 30 10 JEEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2OC)n1C[C@@]1(O)CCS(=O)(=O)C1 1286763507 KSKRHSHKYDAONL-QHCPKHFHSA-N 472.567 2.331 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1286817355 RSLBHLKCDTUREY-UHFFFAOYSA-N 467.599 2.279 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@H](CC)C1 1286821077 ZUEYBFPOYDKDCJ-SFHVURJKSA-N 459.620 2.289 30 10 JEEE CC(C)NS(=O)(=O)CCn1c(C2CC2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1288271812 ADTJZKVXHRWAPE-UHFFFAOYSA-N 458.588 2.403 30 10 JEEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CC(C)(C)CC=C)[C@@H]1CCS(=O)(=O)C1 1300483582 LZPYYOUHDWXITA-XMSQKQJNSA-N 450.605 2.159 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)COC)[C@@H]1CCS(=O)(=O)C1 1300504345 MKTNGFVWAUHYMH-QRVBRYPASA-N 495.646 2.259 30 10 JEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCN1CCC[C@H](C)C1 1300512421 JJCOTMCVTKLBQL-IBGZPJMESA-N 467.643 2.351 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCOc2c(C)cccc2C)CC1 1300727481 YSVVICOBEBJTPP-OAQYLSRUSA-N 451.571 2.444 30 10 JEEE C#CCSCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC(CO)CC1 1300741211 PKPPMUIFOGFZEB-UHFFFAOYSA-N 462.645 2.122 30 10 JEEE C=C(Cl)Cn1c(-c2noc3c2COCC3)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1301036116 ATDPQVIXMBEHMM-UHFFFAOYSA-N 470.983 2.009 30 10 JEEE C=C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCCN2CCC[C@H]2C(=O)N(C)C)CC1 1301069766 DVWVRIAJCONMNQ-OFVILXPXSA-N 474.650 2.418 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CCC(CC(N)=O)CC1 1301484746 MECQGBJZAHDSLN-UHFFFAOYSA-N 461.364 2.102 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)C[C@@H]1CCCO[C@@H]1c1ccccc1 1301499106 XKRPSJZUANVSLL-CNNODRBYSA-N 452.559 2.136 30 10 JEEE Cc1ccc(O[C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)cc1 1304391939 DWVXHHXWVFIMNT-QINHECLXSA-N 450.540 2.106 30 10 JEEE COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@](C)(O)CCC(C)C)CC1 1315742932 AYDRPJBAYNULSK-DEOSSOPVSA-N 454.575 2.299 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1nnc2n1CCCCC2 1358890111 KZWZNXXQCYWPDT-ZWKOTPCHSA-N 484.605 2.411 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1Cc1csc(COC)n1)[C@@H]1CCS(=O)(=O)C1 1358959525 KUSXYZBPYVAYDE-QGZVFWFLSA-N 487.607 2.232 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H](OCC)c2ccccc2)CC1 1359031303 XDWKNQDRTLGKNV-RCZVLFRGSA-N 453.587 2.463 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCS(=O)(=O)NC(C)C)CC1 1359031544 HAAVSPSWXAXQSC-UHFFFAOYSA-N 472.659 2.326 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(F)cc3Br)n2CCN2CCOC[C@@H]2C)CC1 1359032434 OAMWYCZLQSJIEN-KRWDZBQOSA-N 491.409 2.323 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC=CCO1 1359256302 BCYDUOABZCPCDU-YADHBBJMSA-N 498.609 2.020 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1359295124 QQJLPCGJEMDNJQ-MRXNPFEDSA-N 475.391 2.314 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1359316641 SWFQGIKIXCDJRV-WOJBJXKFSA-N 456.572 2.022 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(C(C)=O)CC1 1359327422 ACDXQIAEBFCKLZ-MRXNPFEDSA-N 482.006 2.341 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc3cccnc23)nnc1N1CC[C@H](C(=O)OC)C1 1359329911 ZCMIGCLJFMSZDZ-KRWDZBQOSA-N 455.540 2.093 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1359333708 HFCFLIIBKCQWCQ-UHFFFAOYSA-N 496.659 2.149 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1CCN(C)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1507622005 DUZQCVKEQKOQLW-INIZCTEOSA-N 453.609 2.069 30 10 JEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCN1C[C@H](C)O[C@@H](C)C1 1507641254 AYSOLBVYSCFRQD-PMACEKPBSA-N 497.669 2.119 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCSCC2)cc1 1507669781 RGMFQWLXTXCVQD-OAQYLSRUSA-N 483.663 2.245 30 10 JEEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1(SC)CCN(C)CC1 1507710474 GZASLBLLTJFSBQ-UHFFFAOYSA-N 498.701 2.366 30 10 JEEE C#CCN(CCOC)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1Cc2ccccc2O1 1507713848 ZAFHTWGAFACZCH-GOSISDBHSA-N 451.552 2.359 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCCN2C[C@@H](C)C[C@H](C)C2)CC1 1507738806 ZFLGXFHPAGFUIJ-PMACEKPBSA-N 464.618 2.069 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCc2ccc(OC)cc2OC)CC1 1507739097 MSDAONAKULLCLD-HXUWFJFHSA-N 467.570 2.008 30 10 JEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](C)CNC(=O)OC(C)(C)C)CC1 1507882770 WDUYAKLGEMTJOK-JKSUJKDBSA-N 456.613 2.206 30 10 JEEE C=CCC(C)(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H](C(N)=O)C1 1507911242 INTLUDCFAYJJLY-KRWDZBQOSA-N 460.604 2.109 30 10 JEEE C=CCCOCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCc2nn(C)c(=O)cc2C1 1507958537 WLIJNERPHCIDOS-UHFFFAOYSA-N 466.542 2.211 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCS(=O)(=O)C1 1508004179 AICFVPQEZLWGLG-DLBZAZTESA-N 499.634 2.045 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(CCOC)CC1 1508072201 CJXPQCQHLQMETN-UHFFFAOYSA-N 453.374 2.323 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCSC2(CCOCC2)C1 1508095270 VAAMEDPCHLJRNN-UHFFFAOYSA-N 461.563 2.401 30 10 JEEE CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)N2CCCCC2)CCO1 1508372754 HLZVTEKGBJQMPR-JOCHJYFZSA-N 465.602 2.423 30 10 JEEE CC(C)NS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1509776682 BEBNPVIHVWXRFN-OAQYLSRUSA-N 481.582 2.117 30 10 JEEE C[C@@H](N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N2CCOCC2)CC1)C(F)(F)F 1510140263 GVEJTZPJMGBTEW-QGZVFWFLSA-N 491.518 2.138 30 10 JEEE C[C@H]1C[C@@H](C)CN(C(=O)CN2CCN(c3nnc(-c4cccc(C#N)c4)n3CC(C)(C)O)CC2)C1 1511976925 AJQUSAMZOGYTPL-BGYRXZFFSA-N 479.629 2.214 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCCO3)n2CCS(=O)(=O)CC2CC2)c1 1539043927 WYBIYUJZIXQKIX-NRFANRHFSA-N 485.610 2.401 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1Cc1cccc(C(C)(C)O)c1)[C@H]1CCS(=O)(=O)C1 1539212043 QVRGTVFKWRZKJX-FQEVSTJZSA-N 467.595 2.186 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H](Cc1ccccc1)OC)[C@H]1CCS(=O)(=O)C1 1539217032 ZTJZAOXBMAKADI-VQTJNVASSA-N 453.568 2.158 30 10 JEEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCCN1CCOC1=O 1539265460 GFAULMRCFXTLCN-UHFFFAOYSA-N 470.574 2.308 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H](C)N(C)C1CC1 1539299488 IYMKTMFTPVRQMQ-GOSISDBHSA-N 467.643 2.492 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)N2CCCC2)n1CCN1CCSCC1 1539384299 CQVUEGYRVCQIAQ-UHFFFAOYSA-N 456.591 2.342 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CCCN1C[C@@H](C)O[C@H](C)C1 1539413440 IMYFYWILZWULSY-RTBURBONSA-N 479.585 2.179 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccccc3Br)n2C[C@@]2(OC)CCOC2)CC1 1539441524 RZSYVVLFZGHJES-NRFANRHFSA-N 460.376 2.268 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2CCc2nnc3n2CCCCC3)CC1 1539469683 UGOIIFYZJLCHJB-SFHVURJKSA-N 452.607 2.318 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCN2CCC[C@@H]2C)CC1 1539470328 MMICGWGDANMYRF-SFHVURJKSA-N 465.558 2.303 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CC(F)(F)CO2)CC1 1539488573 MDNYZFNJJFBVNL-HXUWFJFHSA-N 484.507 2.119 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1539489011 PLNBVTLDSYSFCG-QFIPXVFZSA-N 492.624 2.390 30 10 JEEE C#CCSCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(C(=O)NC)CC1 1539514562 SUBAZUUFTLNVPY-GOSISDBHSA-N 491.662 2.220 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(Oc2ccc(OC)cc2)CC1 1539705505 XXYRCOOTXGRJBZ-NRFANRHFSA-N 491.614 2.244 30 10 JEEE C=C(C)COCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCOC[C@@H]1C 1539751100 ZXSVCADKYQGLRZ-ZWKOTPCHSA-N 451.568 2.404 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cccnc2OCC(F)F)CC1 1539848730 QXCFUHUBMOQNSL-MRXNPFEDSA-N 453.515 2.424 30 10 JEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2nccs2)C1 1539966008 DBXZOQLCLSCXKV-IRXDYDNUSA-N 482.632 2.002 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc3ccccc3o2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1540865442 GWPIWFXIHKNCTE-SFHVURJKSA-N 479.585 2.030 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1540900954 OIVKWRVZSXWULN-UHFFFAOYSA-N 474.631 2.113 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2cccc(F)c2[C@H]1C 1540903665 GQNSWLLOGRUTAQ-WBVHZDCISA-N 482.603 2.044 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC(OC[C@@H]2CCCCO2)CC1 1540908156 QPUSANYAXKEPIO-VQTJNVASSA-N 468.620 2.285 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@H](c1ccsc1)N(C)C 1541673744 AYSGCFUVPHMYFQ-HXUWFJFHSA-N 493.641 2.374 30 10 JEEE Cn1cncc1C(=O)N1CCC([C@@H]2CN(c3ccc(C#N)c(C(F)(F)F)c3)C[C@H]2C(N)=O)CC1 1548397028 DVZPZFROVDUEDY-ZWKOTPCHSA-N 474.487 2.401 30 10 JEEE COCCN1C[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N(C)C[C@H]2CCCOC2)CC1=O 1555573926 DBRKRGYGLQOZRO-WOJBJXKFSA-N 452.559 2.174 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2C[C@H]2CCCS(=O)(=O)C2)c1 1587689273 DVJKXQCSGPPDQN-LJQANCHMSA-N 478.578 2.221 30 10 JEEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CCOc2ccccc2Cl)CC1 1587851192 FGIYNODAAKFOIN-IBGZPJMESA-N 456.978 2.497 30 10 JEEE C#CCN(C)c1nnc(-c2ccc(F)cc2Br)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1587945472 KROSJNZYTYJEMU-CYBMUJFWSA-N 470.368 2.198 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H](CC)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1588045889 SNCLIZAJMHYXAZ-YADHBBJMSA-N 466.611 2.318 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCc2cccc(C)c2)CC1 1588891150 LZJYGAMIAYFHGU-SANMLTNESA-N 465.598 2.447 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC)n2C[C@@H](C)N2CCN(c3ccccc3)CC2)CC1 1588946737 HXDNGKDAIRGEFA-OAQYLSRUSA-N 463.630 2.017 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2Cc2ncn(C)n2)CC1 1588961976 QMTFIPHIXOLOBR-UHFFFAOYSA-N 490.612 2.432 30 10 JEEE C#CCSCCn1c(N2CCC(CC(=O)N(C)C)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1589125247 IAPOKLZNELODPL-HSZRJFAPSA-N 463.648 2.380 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(CCOc2ccccc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1589233962 NXTSYJYPODMJPO-WMZHIEFXSA-N 457.600 2.173 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1589482773 LGVATVLSPWWRCG-DLBZAZTESA-N 486.539 2.292 30 10 JEEE C=C(C)COCCn1c(-c2cccc3cccnc23)nnc1N1CCN(CCOC)C(=O)C1 1593722254 NCILHHLZOBSBBO-UHFFFAOYSA-N 450.543 2.381 30 10 JEEE C=C(Cl)Cn1c(N2CCN([C@H](C)C(=O)N3CCCC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1593933046 USXARPFANYGIJY-XXBNENTESA-N 481.041 2.204 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)Nc2ccccn2)n1CC(=O)N1CCOCC1 1595120319 QYBBBVVLEQVOND-UHFFFAOYSA-N 479.516 2.116 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1595475117 AAUGHZBQNITUMZ-CMKODMSKSA-N 472.565 2.016 30 10 JEEE CNS(=O)(=O)[C@H]1CCN(C(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)C1 1596982193 ICJPDIFSIHIUIM-KRWDZBQOSA-N 458.565 2.053 30 10 JEEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC1CCN(c2cc(C)[nH]n2)CC1 1616852958 HCZJQITUBHSLMC-GOSISDBHSA-N 458.588 2.101 30 10 JEEE COCCN(CCC#N)c1nnc(-c2nnc(O)c3ccccc23)n1CCN1CCCCC1 1619911633 BAPNWFLIHBHLMZ-UHFFFAOYSA-N 450.547 2.446 30 10 JEEE CC(C)(C)OC(=O)NCCC(=O)NC[C@H]1CCCCN1S(=O)(=O)c1ccccc1C#N 1661556885 APGNHNLZEVJWII-QGZVFWFLSA-N 450.561 2.132 30 10 JEEE C#CC[C@@H](COC)NC(=O)N1CC[C@@H](c2ccc(OC)c(F)c2)[C@@H](NC(=O)C(F)(F)F)C1 1683130666 MOFOOKXNTGQDRA-ZOBUZTSGSA-N 459.440 2.419 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2Cc2cccn(CC)c2=O)c1 1689873362 FYCAMPMVLAAOMT-OAQYLSRUSA-N 460.538 2.416 30 10 JEEE C#CCCCn1c(COc2ccc(OC)cc2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1689940308 VAHBREPNSSXYDN-UHFFFAOYSA-N 466.586 2.024 30 10 JEEE C#CCN(c1nnc([C@@H](CC)c2ccccc2)n1CCCc1cnn(C)n1)[C@H]1CCS(=O)(=O)C1 1689979522 CPLIOLKUNIKXEL-VXKWHMMOSA-N 481.626 2.208 30 10 JEEE C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@H]1CCSC1(C)C)[C@H]1CCS(=O)(=O)C1 1689979835 ICKISMUJJPNTJC-KSZLIROESA-N 470.661 2.161 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CCc1noc(CC)n1)[C@H]1CCS(=O)(=O)C1 1689983737 GMWBMCGEXAZVEA-KRWDZBQOSA-N 474.974 2.413 30 10 JEEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(COC(C)(C)C)c1 1690000051 QGLHUGSPRXHHDA-SFHVURJKSA-N 457.600 2.325 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCOC[C@@H]1C 1690043090 OOPYTJYDZOLFMF-OALUTQOASA-N 454.600 2.374 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCOC2)n1CCNC(=O)c1cc[nH]n1 1690091617 ZBIRYXLPHDTHPQ-SFHVURJKSA-N 451.506 2.104 30 10 JEEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1690161315 AEOIHIUABVRUNT-UHFFFAOYSA-N 477.638 2.318 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCN1CCOC(C)(C)C1 1690433670 ZAWCPVFRVUVJTQ-SFHVURJKSA-N 453.653 2.330 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@@H](OCC)C1 1690724894 YEBGFZLSCMPUID-XLIONFOSSA-N 462.572 2.397 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(c2cnn(C)c2)CC1 1690730104 VQNZTZVPVDUHQY-UHFFFAOYSA-N 499.641 2.135 30 10 JEEE CC(=O)NCC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCN2CCCO)CC1 1690947393 AKEPZVDDJKTHHJ-QHCPKHFHSA-N 465.602 2.016 30 10 JEEE CCN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CC[S@](=O)C(C)(C)C 1695764537 CHELHEGJKVEGRW-LJAQVGFWSA-N 451.618 2.235 30 10 JEEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCN(C(C)C)CC2)C[C@@H](C)O1 1697910416 GPBFEGKYCQBDBL-OFNKIYASSA-N 498.628 2.204 30 10 JEEE C#CCCCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1705514936 NSOLJTNSTUCZTD-UHFFFAOYSA-N 483.598 2.258 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN(C)[C@H]1c1cccs1 1705628889 RQLGDUNTHHVRSN-QKNQBKEWSA-N 491.683 2.411 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cccc(Br)n1 1705630781 GRLWQLNBYAVKEW-YJBOKZPZSA-N 464.364 2.294 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCN(C)c2ccccc2)CC1 1705642565 YCZPYQZUNYOEDN-UHFFFAOYSA-N 463.611 2.161 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1705695772 ZFEYQANVHGLWRG-SAJDGTNDSA-N 458.607 2.425 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc2c(c1)OCCO2 1705696853 IOJFXRAELRIOGA-CDXJDZJCSA-N 491.614 2.277 30 10 JEEE C=C1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCN(C)CCCOC)CC1 1705767344 JNQMAAIAOCVCDV-UHFFFAOYSA-N 451.575 2.317 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(OC)c(OC)c2OC)CC1 1705769035 GYWPXPMMCUUDMD-QGZVFWFLSA-N 462.572 2.411 30 10 JEEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1705819167 FDICFOCRJZWVQL-HXUWFJFHSA-N 464.680 2.141 30 10 JEEE C=CCCOCCn1c(N(C)[C@H]2CCS(=O)(=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705832130 NTKSFUBYQGTHRY-KSZLIROESA-N 483.635 2.265 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1705931343 NACNIUFYISFUJG-JOCHJYFZSA-N 491.570 2.228 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCN(Cc2cc(C)on2)CC1 1705932816 KVFARHLMYWWGPC-UHFFFAOYSA-N 470.599 2.473 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1705933347 CXXAAXMRQIBBLM-OXJNMPFZSA-N 498.024 2.495 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(CC(N)=O)CC1 1705935493 SWCVPSFIYZKSJD-UHFFFAOYSA-N 466.007 2.215 30 10 JEEE C#CCN(c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCCC)[C@@H]1CCS(=O)(=O)C1 1722367448 LRZJKCXDFHRTPW-GOSISDBHSA-N 482.610 2.492 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H](C)CN2CCOCC2)CC1 1722439283 WGMIMAMPZGTTCG-HXUWFJFHSA-N 457.022 2.246 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2cccc(OC)c2)CC1 1722443954 QZQLSYRDJHIQOW-SANMLTNESA-N 481.597 2.341 30 10 JEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 1722453473 UHURUZQXHLGXQE-UHFFFAOYSA-N 456.620 2.023 30 10 JEEE C#CCSCCn1c(N2CCN(C(=O)N(CC)CC)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1722463570 GPVUDJXHVRDTOF-HSZRJFAPSA-N 478.663 2.269 30 10 JEEE C=C(C)COCCn1c(-c2cc(Br)cn2C)nnc1N(C)C[C@@H](C)C(=O)NC 1722528381 FPLHKMKFROWFLL-CQSZACIVSA-N 453.385 2.457 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(CC)s1 1722672295 NOSWEASFRAXVKT-SFHVURJKSA-N 451.618 2.462 30 10 JEEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1nc2cc(OC)ccc2n1C 1722673766 CXYDLGWGGPKJSS-UHFFFAOYSA-N 453.547 2.097 30 10 JEEE Cc1ccn2cc(Cn3c(COc4ccc(C#N)cc4)nnc3N(C)CCS(C)(=O)=O)nc2c1 1724247035 GVXQXNIOJXMGNV-UHFFFAOYSA-N 479.566 2.214 30 10 JEEE CC[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)C#N)c1ccccc1 1727266610 HOFBHWXHEJSRDN-NSHGMRRFSA-N 460.604 2.401 30 10 JEEE C#CCN(c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@H]1CC=CCO1)[C@H]1CCS(=O)(=O)C1 1740619941 MYWCWYQSUPJNQC-VQTJNVASSA-N 486.594 2.324 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCN1CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1740620064 TVWIDTFZHDLFBV-QUCCMNQESA-N 457.600 2.065 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(-n2cccn2)cc1 1740678145 CACYTJDJOHEAFH-UHFFFAOYSA-N 456.510 2.245 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@]2(OC)CCOC2)CC1 1740701552 LILYQFTZQIBOQN-RUZDIDTESA-N 451.571 2.279 30 10 JEEE C#CCSCCn1c(COCC)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1740723001 NWIFJYPZWYJIKW-UHFFFAOYSA-N 463.629 2.000 30 10 JEEE C=CCN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCNS(C)(=O)=O)C1CC1 1740913172 HMRLRHZZYJXLOB-INIZCTEOSA-N 454.597 2.054 30 10 JEEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1740963422 KKSLWNOHXQKECI-XLNZFTOWSA-N 455.559 2.240 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2CCNS(C)(=O)=O)C1 1740974921 QCQGGWUNYZFONK-WBVHZDCISA-N 465.645 2.462 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCc2c(cccc2OC)C1 1740986028 QKSYETIMFVDORD-UHFFFAOYSA-N 482.566 2.098 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C(C)=O)CC1 1740986663 DCXBCKSIPJINOX-LJQANCHMSA-N 475.615 2.304 30 10 JEEE CC(C)OC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC(F)(F)F)CCO1 1741753700 GTDKPOIJKHMPJL-QGZVFWFLSA-N 466.464 2.125 30 10 JEEE CCCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCS(=O)(=O)C2)C1 1745123122 BEQVNCYIOSKKMM-UYAOXDASSA-N 470.599 2.137 30 10 JEEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1C[C@@H](C(=O)OC)[C@H](CNC(=O)OC(C)(C)C)C1 1748714310 XVJCFBALLBLTEV-IEBWSBKVSA-N 485.589 2.232 30 10 JEEE C#CCN(c1nnc([C@H]2COc3ccccc3O2)n1CCOCCC=C)[C@H]1CCS(=O)(=O)C1 1748818358 ZEIPZCCOLGAZNZ-GHTZIAJQSA-N 472.567 2.010 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H](c2ccccc2)N(C)C)CC1 1749009773 LJIJAFQJQSPLIN-GOTSBHOMSA-N 464.614 2.441 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2CCNC(=O)OC(C)(C)C)CC1 1749017239 YCJIQZLPRQLGFN-UHFFFAOYSA-N 496.612 2.368 30 10 JEEE C=C(Br)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)[C@H](C)CS(C)(=O)=O 1749091672 CYCFQTVYULHFCA-CYBMUJFWSA-N 471.377 2.494 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 1749268648 DWFHOVTYOAOVPL-JKSUJKDBSA-N 458.028 2.311 30 10 JEEE COC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1)OC 1749326967 CULYZBFZDHAVIY-IBGZPJMESA-N 455.563 2.108 30 10 JEEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cccn(CC)c1=O 1749493364 CFDGWMNYIPILPV-GOSISDBHSA-N 458.563 2.439 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 1749658931 YTDPQQIMYLCXLQ-UHFFFAOYSA-N 471.909 2.242 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCN(Cc2cscn2)CC1 1749664287 JJKAHXUPNQHLTN-UHFFFAOYSA-N 453.572 2.035 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1Cc1cccs1 1749734510 KCGDWJJOFXSLLR-DLBZAZTESA-N 484.669 2.054 30 10 JEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](O)(c2ccccc2F)C1 1749754859 AQVIEVOWVYYRJL-IIBYNOLFSA-N 466.604 2.336 30 10 JEEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Cl)cc2)n1CCN/C(O)=C1/N=CC=CC1=O 1760124473 SHLIVFWTQASAOD-ANNUQZOISA-N 454.918 2.495 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2occc2C)CC1 1760265872 KXJUQSHNBFQYOS-XMMPIXPASA-N 455.559 2.234 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCc2ccc(NC(C)=O)cc2)CC1 1760269682 NTCQHLVZGZXXTF-JOCHJYFZSA-N 478.597 2.339 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(C(N)=O)CCCC1 1760288936 DFPHTDJGUFFWHB-HSZRJFAPSA-N 484.626 2.233 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cnn(C)c1 1760295040 MKAAUXVNGJBMNO-FDDCHVKYSA-N 455.563 2.360 30 10 JEEE C=CCCCn1c(-c2ccccn2)nnc1N1C[C@@H]2[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1760435370 HIPFEKXUSWSOBR-NZSAHSFTSA-N 488.614 2.433 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CC(=O)NCC(F)(F)F)C1 1760537709 RFIJCSWGAQUFTE-HNNXBMFYSA-N 467.448 2.176 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1c1cccc(OC)c1 1760554762 LYSRZFJKERBPGH-UYAOXDASSA-N 494.639 2.131 30 10 JEEE C=CCSCCn1c(-c2ccccc2F)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1760563229 KWZNMRZFVXENOO-UHFFFAOYSA-N 472.590 2.274 30 10 JEEE CCn1cc(CN(C)c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCS(=O)(=O)C2)cn1 1765319709 FLNYSOVWTZHQAD-IBGZPJMESA-N 483.598 2.406 30 10 JEEE CCC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCOCC2)CCN1CCOC 1765635745 IENABKQRFBZMQP-QFIPXVFZSA-N 468.602 2.295 30 10 JEEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H](c2ccc(F)cc2)N(C)C)CCOC1 1765921360 DHIUSSWGOFSZGO-TXTKFYIRSA-N 458.538 2.101 30 10 JEEE COCC1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCN(C)C2)CC1 1770815726 HJQWRWSYHRVIAY-XMMPIXPASA-N 454.575 2.048 30 10 JEEE N#Cc1ccccc1S(=O)(=O)N1CCN(c2ccc(NS(=O)(=O)c3cccs3)cn2)CC1 1858454031 VXAZWLAVUXTYDN-UHFFFAOYSA-N 489.604 2.326 30 10 JEEE COc1cc([C@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2CCCNC=O)ccc1O 1862737292 FRFJZXCBQWTBFB-IBGZPJMESA-N 455.423 2.023 30 10 JEEE Cc1cc(C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(C#N)cc2)cc(S(N)(=O)=O)c1 1867235316 PYWFCCPFHUCUHF-QFIPXVFZSA-N 462.531 2.494 30 10 JEEE COc1ccc(CCN2C[C@H](C(=O)Nc3c(C#N)nnn3Cc3ccccc3F)CC2=O)cc1OC 1870109064 IDLXFRATTWXXCF-GOSISDBHSA-N 492.511 2.384 30 10 JEEE CC(C)N1C(=O)c2ccc(C(=O)Nc3c(C#N)nnn3-c3ccc(N4CCN(C)CC4)cc3)cc2C1=O 1870142898 MXOVLZDMXQXIGM-UHFFFAOYSA-N 498.547 2.147 30 10 JEEE CN(C)c1ccc(-n2nnc(C#N)c2NC(=O)CCCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 1870155610 WEUWUBRROBBTKG-UHFFFAOYSA-N 488.464 2.128 30 10 JEEE C=CCOc1cn(C[C@@H](c2ccc(O)cc2)N(C)C)c(CN2CCC(C(N)=O)CC2)cc1=O 1870387359 ATYPPYJVGWMQKA-QFIPXVFZSA-N 454.571 2.119 30 10 JEEE C#CCOc1cn(CCc2ccc(S(N)(=O)=O)cc2)c(CNc2cccc(OC)c2)cc1=O 1871008921 VAOHSBZUZQQQRG-UHFFFAOYSA-N 467.547 2.371 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)COc2nonc2CC(=O)N2C[C@@H](C)C[C@H](C)C2)nc1C 1872636769 FKNJWFWVJFWRMT-STQMWFEESA-N 477.543 2.242 30 10 JEEE CCOC(=O)c1sc([C@@H](C#N)C(=O)CN2CCN(c3ncccn3)CC2)nc1C(F)(F)F 1872800772 VIXMKZYFAAMQBZ-LBPRGKRZSA-N 468.461 2.127 30 10 JEEE CCOC(=O)c1sc(C2=C(N)N(c3ccc(CN4CCN(C)CC4)cc3)CC2=O)nc1C 1873920331 IWWIQWUREAHPNT-UHFFFAOYSA-N 455.584 2.092 30 10 JEEE CCOc1cc(/C=N/n2c(COC)nnc2SCCCO)ccc1OCC(=O)N(CC)CC 1874502801 APFSMKLHXIWPIX-OEAKJJBVSA-N 479.603 2.427 30 10 JEEE N#Cc1ccnc(OC[C@@H]2CCCN(C(=O)[C@H]3CC(=O)N(c4ccc5c(c4)OCCO5)C3)C2)c1 1891499534 MEXBSMGBQAIOBH-MOPGFXCFSA-N 462.506 2.395 30 10 JEEE CC(C)(C)OC(=O)NC1(C(N)=O)CCN(Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CC1 2162881781 VUXMHRYZWKVUQZ-UHFFFAOYSA-N 459.396 2.330 30 10 JEEE C#CC[C@@H]1COCCN1C(=O)c1cc(I)cc(I)c1O 2177438210 QIGGBJPGKJJINM-SNVBAGLBSA-N 497.070 2.466 30 10 JEEE C[C@H](c1cscc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)[C@H](CO)NC(=O)OC(C)(C)C 2256624234 LMCXUVBVFKDAKG-CJNGLKHVSA-N 454.398 2.452 30 10 JEEE CC(C)(C)OC(=O)N1CCC(O)(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)s2)CC1 2256672289 FLJBWXUGUIUBHD-UHFFFAOYSA-N 453.370 2.143 30 10 JEEE Cc1c(B2OC(C)(C)C(C)(C)O2)csc1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1O 2267108646 IAOKQSTUFUWJFR-JKSUJKDBSA-N 466.409 2.456 30 10 JEEE Cn1nc(C(=O)N2CC(CCNC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2267185019 PZXRAIOFVHBILY-UHFFFAOYSA-N 468.791 2.360 30 10 JEEE CC(C)(C)OC(=O)NCCN(CC(F)F)C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267193264 BZKUBDNTNKJTGM-UHFFFAOYSA-N 456.299 2.008 30 10 JEEE CC(C)(C)OC(=O)N[C@]12C[C@@H]1CN(S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1)C2 2267466893 IRZWSCWCUKWPLK-VFNWGFHPSA-N 484.449 2.476 30 10 JEEE CC(C)(C)OC(=O)N[C@@]1(C(=O)O)CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2267528986 WJBVIAZMEWSVBS-NRFANRHFSA-N 466.365 2.241 30 10 JEEE CC(C)(CNC(=O)OC(C)(C)C)CNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2267705784 MEXKNZJZVMGFSH-UHFFFAOYSA-N 489.469 2.413 30 10 JEEE C[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2267713824 RQQXVPRVVOGMFQ-VXGBXAGGSA-N 482.355 2.267 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2C[C@H](C(=O)N=c3nc(B4OC(C)(C)C(C)(C)O4)[nH]s3)C[C@@H]21 2268716768 VLTLRQRMOCTCEK-XDQVBPFNSA-N 464.397 2.137 30 10 JEEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)C1(O)CC(NC(=O)OC(C)(C)C)C1 2268787544 VMDZOLAUVQZECV-UHFFFAOYSA-N 466.409 2.424 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@H](COc3ncccc3B3OC(C)(C)C(C)(C)O3)O[C@@H]2C1 2279888477 FIGXYHYNYTUDMG-BPQIPLTHSA-N 462.352 2.163 30 10 JEEE Cn1ncc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]3CC[C@H]23)c1B1OC(C)(C)C(C)(C)O1 2281810014 YUYWBBLBKBASSE-DJIMGWMZSA-N 460.384 2.237 30 10 JEEE Cn1ncc(C(=O)N[C@]23CCC[C@H]2CN(C(=O)OC(C)(C)C)C3)c1B1OC(C)(C)C(C)(C)O1 2281813924 HAFVVIHQKVIPCW-WNSKOXEYSA-N 460.384 2.239 30 10 JEEE CC(C)C[C@](C)(CNC(=O)OC(C)(C)C)NC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2281950985 DLEYZOONQPQUFW-JOCHJYFZSA-N 465.404 2.174 30 10 JEEE Cc1c(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@@H]2C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281984685 DSHWYTQJBAVOAI-GJZGRUSLSA-N 462.400 2.498 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C(F)(F)C2)n1 2282039437 VIEBVRJJWJCKJE-CQSZACIVSA-N 470.326 2.094 30 10 JEEE Cn1nc(C(=O)N2CC(C3CN(C(=O)OC(C)(C)C)C3)C2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2282043532 KBRMBEYMVVZTQZ-UHFFFAOYSA-N 480.802 2.312 30 10 JEEE CC(C)(C)OC(=O)N1CCC(O)(CNC(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)CC1 2282188905 CJQRVZXBCCCNSW-UHFFFAOYSA-N 460.380 2.478 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)O)N(C(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)C1 2282199876 LWDJYTVRYBCMEN-DZGCQCFKSA-N 464.324 2.161 30 10 JEEE Cc1cc(S(=O)(=O)N2C[C@@H]3[C@H](C2)[C@@H]3NC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2282325946 LTOKKCWEVIQFBZ-IZZQQSIFSA-N 478.420 2.438 30 10 JEEE CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2282409423 KFTAVHIJRJKRPJ-ROUUACIJSA-N 464.343 2.489 30 10 JEEE Cn1ncc(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 2282535160 KLLPAEGXYLIRFF-HLLBOEOZSA-N 460.384 2.095 30 10 JEEE Cc1nn(C)c(C(=O)N2C[C@@H](CNC(=O)OC(C)(C)C)C[C@@H]2C)c1B1OC(C)(C)C(C)(C)O1 2282585427 LRZVENHEZCTITK-GOEBONIOSA-N 462.400 2.403 30 10 JEEE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1N(C)C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2282588838 IZQFTJVHDABOCI-WBVHZDCISA-N 462.400 2.437 30 10 JEEE Cn1nc(C(=O)NC[C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)cc1B1OC(C)(C)C(C)(C)O1 2282629335 UMWPIDGGOINOQT-MRXNPFEDSA-N 462.400 2.486 30 10 JEEE CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1CNS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282830429 UKVMJKFZNTUQSM-KRWDZBQOSA-N 481.424 2.305 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@]2(NS(=O)(=O)Cc3ncsc3B3OC(C)(C)C(C)(C)O3)C[C@@H]2C1 2282839567 FZAXYBYBNNSLQP-SZNDQCEHSA-N 499.464 2.261 30 10 JEEE C[C@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(O)cc2O)CCN1C(=O)OC(C)(C)C 2282967179 LBIRZTXVKKFGLP-AWEZNQCLSA-N 462.352 2.478 30 10 JEEE CC(C)(C)OC(=O)N1CCC12CC(CNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)C2 2283056037 LBDFTWVOBRYXLA-UHFFFAOYSA-N 458.368 2.295 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)OC(C)(C)C1 2283978250 ZZNRQITZIGYIKP-AWEZNQCLSA-N 481.424 2.473 30 10 JEEE CC(C)(C)OC(=O)N1[C@@H](C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)COCC1(C)C 2283987238 JKVGIHYZXJSNRD-CQSZACIVSA-N 481.424 2.473 30 10 JEEE C[C@@H](c1nscc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)[C@]1(NC(=O)OC(C)(C)C)C[C@@H](O)C1 2284052531 YHJPSCHNMOXVGL-FBJOKTGGSA-N 481.424 2.380 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N1CC[C@@H](NC(=O)C(F)(F)F)C[C@@H]1C 2285210529 JPWORMQGIYABMA-DZGCQCFKSA-N 455.286 2.361 30 10 JEEE CCCNC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1N=Cc1ccc(O)c([N+](=O)[O-])c1 2329012005 MQPIYAYMQVTOLS-OAHLLOKOSA-N 489.558 2.117 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C 2336899835 BGEHNUAOSKDBKN-OAHLLOKOSA-N 450.389 2.389 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1[C@@H]2C[C@H]1CN2C(=O)OC(C)(C)C 2359278780 FDSOOTHOOQHTJF-UXLLHSPISA-N 460.384 2.187 30 10 JEEE Cc1cc(CNC(=O)[C@@H]2C[C@H](O)CN2C(=O)OC(C)(C)C)cc(B2OC(C)(C)C(C)(C)O2)c1 2369678699 JAEWYMFGYWZWCC-OALUTQOASA-N 460.380 2.281 30 10 JEEE C=CCNC(=O)CN1CN(c2ccccc2)C2(CCN(C(=O)NC3CCCCC3)CC2)C1=O 16613203 VCISFNDDNVBDSV-UHFFFAOYSA-N 453.587 2.472 30 10 JEEE COc1ccc(/C=N/Nc2nc(SCC(=O)NCc3ccc4c(c3)OCO4)n[nH]2)c(OC)c1 59016700 FTKAHJVHRWHJBP-AUEPDCJTSA-N 470.511 2.405 30 10 JEEE CCc1nnc(CNC(=O)CSc2n[nH]c(N/N=C/c3cccc(Br)c3)n2)o1 59878448 KKLQWFVFCOVCEB-FBCYGCLPSA-N 465.337 2.367 30 10 JEEE C/C(O)=N/S(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCN(c3ccc(-n4cccn4)nn3)C2)cc1 62163689 KUOMRAFDMBCARY-MRXNPFEDSA-N 469.527 2.183 30 10 JEEE COC(=O)c1[nH]c(C)c(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccccc2F)c1C 103091818 VXGLJBKMSSYWCE-NNWMPZTLSA-N 485.512 2.311 30 10 JEEE N#Cc1cc([N+](=O)[O-])cnc1-n1cnc(I)c1I 310664699 LGWQLKAZYRYQCH-UHFFFAOYSA-N 466.964 2.256 30 10 JEEE COc1ccc(N2CCCC2=O)cc1S(=O)(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 586153782 PGAWFGNKMSYMEB-UHFFFAOYSA-N 456.568 2.446 30 10 JEEE N#Cc1cc(S(=O)(=O)N2CCN(S(=O)(=O)c3cccc(Br)c3)CC2)ccc1F 609133909 UCRLMYGXORTEOW-UHFFFAOYSA-N 488.360 2.155 30 10 JEEE Cc1nn(-c2ccccc2)c(N2CCOCC2)c1C=NNc1nc(SCCC(=O)N(C)C)n[nH]1 1084189526 RUFSJKBWAPUJRP-UHFFFAOYSA-N 483.602 2.152 30 10 JEEE COCCn1cc(C=NNc2nc(SCC(=O)Nc3nnc(SCC(C)C)s3)n[nH]2)cn1 1084467347 BELZSPAWFWNGKZ-UHFFFAOYSA-N 496.648 2.424 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1CNC(=O)Nc1ccc(OCC)c(S(=O)(=O)N2CCOCC2)c1 1214225950 HQJDDFIRZQQTLL-OXJNMPFZSA-N 453.561 2.209 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1CCCc1c[nH]nc1C)[C@@H]1CCS(=O)(=O)C1 1286381235 FRRJNZALFWFAGF-HXUWFJFHSA-N 498.609 2.253 30 10 JEEE C#CCN(c1nnc(C(C)C)n1C[C@@H](C)N1CCN(c2ccccc2)CC1)[C@@H]1CCS(=O)(=O)C1 1286386284 YAABJQYIZMYJFR-FYYLOGMGSA-N 484.670 2.239 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1CCSCc1ccccc1F)[C@H]1CCS(=O)(=O)C1 1286394144 NOMLETHPDGVYDT-HKUYNNGSSA-N 478.615 2.481 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC[C@@H](OC)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1286397301 YZVKPZNMDPUIBS-HRCADAONSA-N 464.510 2.114 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCN(C)c1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1286398770 OSDRZEFXQGMZOP-WIYYLYMNSA-N 475.590 2.422 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CCC(=O)NC1CCCCC1 1286425888 AVMUINRRODODFU-UHFFFAOYSA-N 450.543 2.308 30 10 JEEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(Cc2cc(OC)cc(OC)c2)CC1 1286507689 BRRFCTIWVAMQMI-FQEVSTJZSA-N 471.627 2.488 30 10 JEEE C=C(Br)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](OCCOC)C1 1286530442 MSTDQHMUWAGKCW-AWEZNQCLSA-N 451.325 2.076 30 10 JEEE C=C(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)OC2(CCOCC2)C1)c1ccccc1 1286614962 FKQUQJNTBFAYMU-RBUKOAKNSA-N 475.615 2.376 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CC[C@H](N(C)Cc2ccccc2)C1 1286819935 ABBPMMXYCJGTQT-VXKWHMMOSA-N 473.643 2.484 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCCN(c2ccccc2C#N)CC1 1286820215 HIARVYYXQLGSIV-NRFANRHFSA-N 484.626 2.361 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(=O)NCC(F)F 1300302977 GUAXECDUTIWKQA-CABCVRRESA-N 454.522 2.232 30 10 JEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccnc(OC(F)F)c1 1300459673 GPRLBXIPMUGROI-UHFFFAOYSA-N 461.498 2.352 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H](C)Oc1ccccc1OC)[C@@H]1CCS(=O)(=O)C1 1300487691 LHTRNHYBSCYHLE-ZWKOTPCHSA-N 469.567 2.376 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1Cc1ccc(C)nc1)[C@H]1CCS(=O)(=O)C1 1300488510 RXLULYKBUCQVCQ-IBGZPJMESA-N 451.552 2.332 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(C)cc1C)[C@@H]1CCS(=O)(=O)C1 1300502746 WMPTYAAZXHQJQN-JOCHJYFZSA-N 466.611 2.432 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1cccc(C)c1)N1CCOCC1 1300630879 IPDXJIPSXJVHCI-FCHUYYIVSA-N 471.627 2.022 30 10 JEEE C#CCN(CCOC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC1(S(C)(=O)=O)CC1 1300666404 YIEPVCNQPPZBNL-UHFFFAOYSA-N 495.646 2.056 30 10 JEEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1300755917 AMXQVFLEUIZUNB-CQSZACIVSA-N 470.521 2.445 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](C(=O)OC)C1 1300877260 WXYUKRBKYZZYTA-SCTDSRPQSA-N 454.531 2.296 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2cc(OC)c(OC)cc2C1 1300989939 HOTXWXKEYCQIEQ-GOSISDBHSA-N 476.599 2.353 30 10 JEEE C=C(Cl)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1301043709 BXZAJNULUOUYGB-PBHICJAKSA-N 453.952 2.061 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2ccncc2)n1CCN1CCCS1(=O)=O 1301342584 YLIOWCLAPLEFDE-UHFFFAOYSA-N 477.594 2.364 30 10 JEEE COCCN(CCC#N)c1nnc(-c2ccc3c(c2)OCO3)n1Cc1ccc(C)n(C)c1=O 1301805082 CZLDQOSWCDTTPY-UHFFFAOYSA-N 450.499 2.096 30 10 JEEE COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1NC(=O)C1(c2cccc(C#N)c2)CC1 1349003062 CAGBZIXMVCSRBM-UHFFFAOYSA-N 454.552 2.173 30 10 JEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)c2ccc(O)cc2)CC1 1358919687 HVEASUNLOPEOON-MRXNPFEDSA-N 459.572 2.107 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1CCCc1c[nH]nc1C)[C@H]1CCS(=O)(=O)C1 1358959388 HVDQWTRCHAHIFB-IBGZPJMESA-N 498.609 2.253 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@H]1CC(F)(F)CO1)[C@H]1CCS(=O)(=O)C1 1358959979 UAYKEIJIQBSJPS-JKSUJKDBSA-N 466.510 2.005 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCO[C@H]1c1ccccc1 1358978562 PIUKYDHEDFLWIK-BDTNDASRSA-N 452.580 2.421 30 10 JEEE C#CCN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1ccc(C)n(C)c1=O 1359000500 XEFCOBQELQBLGW-UHFFFAOYSA-N 452.946 2.376 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2CC2([S@](C)=O)CC2)CC1 1359029851 IYZVVHIZGPOIRI-FPYOTAMTSA-N 471.627 2.483 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1359102995 IPXPCIXFYVMJRQ-BQUSRXHISA-N 499.660 2.488 30 10 JEEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](CN2CCOCC2)C1 1359122259 ICIGNZLUQPJVPQ-PMACEKPBSA-N 476.622 2.321 30 10 JEEE C=CCSCCn1c(Cn2ccc3ccccc32)nnc1N1CCN(S(C)(=O)=O)CC1 1359345923 VDEDZPLFVRHPBE-UHFFFAOYSA-N 460.629 2.282 30 10 JEEE C[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)CC#N)N(C)C(=O)OC(C)(C)C 1360562690 CKYNLFZVUCNZKN-BZUAXINKSA-N 454.597 2.174 30 10 JEEE C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@H](N1CCN(C(=O)OC(C)(C)C)CC1)C(F)(F)F 1436016237 AHIUYTGZLANYAE-HOTGVXAUSA-N 450.502 2.057 30 10 JEEE COc1cccc(CN(C[C@@H]2CCCO2)C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)c1 1442297924 HHUCLGZRPOCSJC-UWJYYQICSA-N 457.552 2.441 30 10 JEEE C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)S(=O)(=O)c1cc(Br)cc(C#N)c1 1474930215 AHDGIWUBLDGBIL-NSHDSACASA-N 458.359 2.350 30 10 JEEE CNC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)N(C)C2CC2)C1 1503760938 IBXUWSLTLIRMSJ-IEBWSBKVSA-N 451.575 2.174 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cn3nc(C)cc3C)n2CC2([S@](C)=O)CCC2)c1 1507552171 LZSMEWWSTSMCNW-DHUJRADRSA-N 493.637 2.497 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1CCc1nccc(C(F)(F)F)n1)[C@H]1CCS(=O)(=O)C1 1507623878 YRYUONFQYHWDDU-CABCVRRESA-N 470.521 2.470 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H](C(C)C)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1507635813 VUCCWWVGQMNSKY-YADHBBJMSA-N 470.643 2.011 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CC(F)(F)C1(OC)CCOCC1 1507667978 SVVOIBNNLMMETP-UHFFFAOYSA-N 475.496 2.300 30 10 JEEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1nnc(CC)s1 1507668668 AWENBGYAABAFCV-UHFFFAOYSA-N 461.599 2.377 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCS(=O)(=O)CC1CC1 1507669578 ZFEDIKBGCDXPIH-UHFFFAOYSA-N 454.552 2.004 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@]1(O)CCO[C@@H]1C 1507676871 RHUOAWLJGBJBSJ-FVJVTNMWSA-N 457.575 2.052 30 10 JEEE C#CCSCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1507748170 LEUCUGHMLNOBFU-QGZVFWFLSA-N 478.416 2.334 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCC(OCC(N)=O)CC1 1507811339 PWLSKSYTIKGFMX-UZUQRXQVSA-N 473.549 2.448 30 10 JEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](c2nnc(C(C)C)o2)C1 1507835538 DSHYWCVXECUDIU-QGZVFWFLSA-N 459.551 2.191 30 10 JEEE C=C(C)COCCn1c(-c2cccc(C)n2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1507843039 QXURHLFYJPVUMD-QHCPKHFHSA-N 453.547 2.056 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C)nc(C(C)C)n2)CC1 1507843810 VAFHODJFPGNRBU-IBGZPJMESA-N 468.606 2.370 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c(C)nnc1N1CCN(c2ccc3nncn3n2)CC1)C(C)C 1508011128 MQAYMTZZIORGDT-HXUWFJFHSA-N 450.595 2.049 30 10 JEEE C=CCOc1ccccc1Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H](NC(C)=O)C1 1508109812 URDRQYNMYJZLFO-FQEVSTJZSA-N 452.559 2.119 30 10 JEEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H](C)[C@H]1CC 1508142663 FOKLRKINSCNCOB-JKSUJKDBSA-N 451.618 2.495 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCN(Cc2cccs2)CC1 1508144993 VUXAKEHAFMEPDQ-UHFFFAOYSA-N 472.640 2.248 30 10 JEEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1Cc1cccnc1OCC(F)(F)F 1539237957 OBFFYPWZPCHVRF-NRFANRHFSA-N 463.460 2.387 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@]2(N(C)C)CCSC2)CC1 1539440966 GFQFSKDCCXWIDI-XMMPIXPASA-N 470.643 2.155 30 10 JEEE C#CCSCCn1c([C@@H](C)Oc2ccccc2F)nnc1N(C)CC(=O)N1CCOCC1 1539496112 BUHGJWJIGDOWQN-QGZVFWFLSA-N 461.563 2.219 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Br)cc2)n1CCS(=O)(=O)NC 1539566365 IJIFARLHBPMHBQ-LJQANCHMSA-N 482.404 2.161 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(C)C(=O)C1 1539619741 HKWGMKDZHXLFMR-HRAATJIYSA-N 471.558 2.231 30 10 JEEE C=CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1540857892 UUILMEBNBFHJAT-QGZVFWFLSA-N 470.578 2.165 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1540867458 XBBYNVAGNFZSBF-MRXNPFEDSA-N 467.530 2.340 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 1540902818 RGNLPRHYZGJBAU-ROUUACIJSA-N 483.635 2.219 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CCN(c2ccccn2)CC1 1540908989 UFHXHIFDJLEOKG-UHFFFAOYSA-N 486.573 2.319 30 10 JEEE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3ccc(C#N)cc3)n2CCCO[C@@H]2CCOC2)C1 1540937967 HPCVQEIENHYACU-RBBKRZOGSA-N 452.559 2.317 30 10 JEEE C#CCNC(=O)CN1CCCN(C(=O)CSc2nccn2-c2ccc(C(C)C)cc2)CC1 1542893386 WHRXXJYLRVUQLG-UHFFFAOYSA-N 453.612 2.372 30 10 JEEE CCS(=O)(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(C)CC2)CC1 1548333315 CMZRIEGQWNWPTA-UHFFFAOYSA-N 458.588 2.437 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1CCc2ccccc2C1 1587641194 YMRCFKRVXHUUFJ-RXVVDRJESA-N 455.628 2.475 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2CC=CCO2)c1 1587697359 ORQCRGDHTRILAI-RRPUWOKSSA-N 465.554 2.403 30 10 JEEE C#CCN(c1nnc([C@H](C)OCCOC)n1Cc1cccc2cccnc12)[C@@H]1CCS(=O)(=O)C1 1588034296 CTSQJECWCOELDS-GHTZIAJQSA-N 483.594 2.225 30 10 JEEE C#CCN(c1nnc([C@@H](CC)c2ccccc2)n1CCNC(=O)c1ccco1)[C@@H]1CCS(=O)(=O)C1 1588034420 FSXXBYFKWFQNNC-RTWAWAEBSA-N 495.605 2.470 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1C[C@@H](c1ccc(C)o1)N1CCOCC1 1588646398 JJBSQLFFUHPUPV-SFTDATJTSA-N 457.575 2.233 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CCNC(=O)c2cccc(OC)c2)CC1 1588947061 KTMLIZJFHBQDEI-UHFFFAOYSA-N 480.613 2.271 30 10 JEEE C#CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC[C@@H](C(=O)OC)C1 1589053806 UPXUZWDTHLXCNC-QGZVFWFLSA-N 480.594 2.431 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(CCOC)[C@@H](C)C1 1589567412 DLEGWIOGPUUGAY-XJUOHMSHSA-N 457.623 2.278 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](N1CCOCC1)C(F)(F)F 1595250395 DKXKBKVTUGEANS-MSOLQXFVSA-N 482.507 2.320 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC[S@@](=O)CC)C1 1595730719 YFACYCFXDQRPLD-AXZPFCHASA-N 483.635 2.136 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(C)(C#N)CC1 1595789631 YQVDCBJQCZWVSB-UHFFFAOYSA-N 467.555 2.325 30 10 JEEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCS(C)(=O)=O 1597739540 GSPSCZRBXDHHKU-TZIWHRDSSA-N 486.642 2.440 30 10 JEEE CC(C)N(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC2(CC1)COC(=O)N2 1607955044 BPOLKGRGWUWAHU-UHFFFAOYSA-N 453.547 2.148 30 10 JEEE Cc1nn(C)c(C)c1CN(C)c1nnc(COc2ccc(C#N)cc2)n1CCN1CCOC[C@@H]1C 1612460497 DZOKOVDGJFKMBV-SFHVURJKSA-N 478.601 2.436 30 10 JEEE COC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2(S(C)(=O)=O)CCC2)C1 1618852746 CXAMGGSOIWPLJB-GOSISDBHSA-N 457.556 2.173 30 10 JEEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@](C)(O)C2CC2)C[C@H]1C 1619951449 DSEJXIQGXHGIRY-KOSHJBKYSA-N 454.575 2.047 30 10 JEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(Cc2nc(N)c3ccccc3n2)CC1 1629378202 URFVOXYAVJPFHB-LJQANCHMSA-N 452.559 2.163 30 10 JEEE C=CCN(C)CCN(CC)C(=O)CN1C(=O)N[C@](C)(c2ccc(Br)cc2)C1=O 1634640343 BTGGOLGVYGKWJG-HXUWFJFHSA-N 451.365 2.182 30 10 JEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3C[C@H](C)[S@](=O)[C@@H](CC)C3)nnc12 1641553842 ZTFYZKQVSBGHMB-JUJKSPDXSA-N 459.597 2.080 30 10 JEEE Cc1c(NC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cccc1S(=O)(=O)N(C)C 1670887534 IDNTZXYGYUIEON-HOCLYGCPSA-N 451.549 2.126 30 10 JEEE N#Cc1sc(NC(=O)NCc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)nc1Cl 1672680105 FOEFCNQVGWUZEI-GFCCVEGCSA-N 455.949 2.447 30 10 JEEE N#Cc1ccc(N2CCN(C(=O)NCc3ccc(N4CCCS4(=O)=O)c(F)c3)CC2)cc1 1680372749 BSEVUJADUROWPN-UHFFFAOYSA-N 457.531 2.269 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1Cc1cnn(CCOC)c1 1689848207 QLNCDQVKOWYDOD-SFHVURJKSA-N 474.569 2.414 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2C[C@@H]2CCCN(C(C)=O)C2)c1 1689870205 FUUIYCHNTFZMDD-HXUWFJFHSA-N 472.553 2.050 30 10 JEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1CCN(C(=O)OC)CC1 1689965747 CGVDUZMGWKCJOW-GOSISDBHSA-N 476.578 2.134 30 10 JEEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCNC(=O)c1cccs1 1690072758 RZDBIYWKOTVCAD-UHFFFAOYSA-N 471.612 2.189 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H]1CCOC[C@H]1C 1690101263 UVTKDCJIHUDSDJ-RTBURBONSA-N 464.570 2.434 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN1C1CCCCC1 1690103277 BIZGYVMHSAMYDS-TZIWHRDSSA-N 463.648 2.063 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cccc2c1OCO2 1690103293 BQYGYNIALOVKIR-LJQANCHMSA-N 499.568 2.450 30 10 JEEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2Cc2c(Cl)c(C(F)(F)F)nn2C)CC1 1690129305 UOLSWNQQNXWLAT-UHFFFAOYSA-N 478.910 2.473 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@@]2(C)COCCO2)CC1 1690137120 NZOWULMRWBURCE-CJAUYULYSA-N 485.560 2.329 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCS(=O)(=O)N(C)C 1690188613 MJCFCRUOSGBAMT-JOCHJYFZSA-N 458.588 2.031 30 10 JEEE C=C(C)COCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCCN(CC)C(=O)C1 1690303114 RXFIAPQTQRNKOS-UHFFFAOYSA-N 489.646 2.198 30 10 JEEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1690632550 CIPDNRSZSAOMET-SBUREZEXSA-N 488.614 2.485 30 10 JEEE CC(C)CN1CCO[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(CC(C)C)C(=O)C2)C1 1692433878 GZUZEFFKLLVGPT-QHCPKHFHSA-N 479.629 2.478 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCCC1CCCC1 1692794353 FDYSMIQYAZMFOO-SFHVURJKSA-N 486.646 2.452 30 10 JEEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2COCCO2)CCN1CC(F)(F)F 1693782929 GFRYZBVCXCKESU-MAUKXSAKSA-N 450.465 2.305 30 10 JEEE CCOCc1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CC1(CS(C)(=O)=O)CC1 1696318757 BAMOQUQKLOLOJP-UHFFFAOYSA-N 472.615 2.228 30 10 JEEE C#CCN(c1nnc(-c2ccc(OCC)c(OC)c2)n1Cc1cc(C)no1)[C@@H]1CCS(=O)(=O)C1 1705562733 ITNQFZOKZWPAJK-GOSISDBHSA-N 485.566 2.324 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@H]1OCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1705569134 ZVHLXKROTHSXAJ-UYAOXDASSA-N 476.574 2.438 30 10 JEEE C#CCN(c1nnc(CC)n1C[C@H]1CCN(CCc2ccccc2)C1)[C@@H]1CCS(=O)(=O)C1 1705569549 FAZPSZVIQPVZSX-FCHUYYIVSA-N 455.628 2.032 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCn1cc(Cl)cn1 1705591359 OGOPUJMXCVJJCP-UHFFFAOYSA-N 486.001 2.208 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCN(c2ccccc2F)C1 1705598129 BSGKXMTYDWGKDF-UXHICEINSA-N 469.586 2.309 30 10 JEEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2CCCN2CCCO[C@H](C)C2)CC1 1705641810 UWFXGRXACBNHCS-HSZRJFAPSA-N 450.631 2.319 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2C[C@H](C(C)C)N2CCOCC2)CC1 1705647206 CJMHFHDQABBPIU-JOCHJYFZSA-N 456.635 2.258 30 10 JEEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1705658840 CBZOZOOKFYJADS-GOSISDBHSA-N 493.637 2.444 30 10 JEEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1705736461 SQWKZNNHASYCKX-UHFFFAOYSA-N 451.506 2.429 30 10 JEEE C=CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1705885708 FOPAUGIAMHKROA-QHCPKHFHSA-N 451.531 2.148 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(C(=O)NCC)CC1 1705903933 ZXUPWZCZCUGSKS-UHFFFAOYSA-N 453.591 2.396 30 10 JEEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1Cc2ccccc2C1 1705947021 XZNLDXMULNLRCM-HXUWFJFHSA-N 477.656 2.134 30 10 JEEE CC(C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@](C)(O)c2ccsc2)CC1 1706648845 CQFZIDWGHRITEF-VWLOTQADSA-N 493.637 2.433 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1722281020 XNFCDOASFKGCHY-WZOHSFFVSA-N 468.602 2.445 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2Cc2cnn(C)c2C)CC1 1722442313 VAOJNMLZUNSHGM-FQEVSTJZSA-N 468.606 2.196 30 10 JEEE C#CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC(CC(N)=O)CC1 1722457645 IMUCDDDINFYZHZ-UHFFFAOYSA-N 479.610 2.133 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCS(=O)(=O)c1ccccc1 1722516826 DMTYMANHUYNNGB-QGZVFWFLSA-N 452.602 2.057 30 10 JEEE C=C(C)COCCn1c(-c2ccccc2F)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1722531207 IPDQOEYYXJRRAX-IBGZPJMESA-N 456.522 2.444 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CCN(C(C)=O)C[C@H]1C 1722693831 BIYGXDXEGDQOAM-CQSZACIVSA-N 461.364 2.067 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1722695055 QMYLQVLASLUFLX-UHFFFAOYSA-N 462.945 2.494 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1722704607 VQMXPKWMCLIUNV-HNNXBMFYSA-N 462.963 2.167 30 10 JEEE C=CCSCCn1c(C(C)C)nnc1N1C[C@@H]2[C@H](C1)[C@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1722732872 RLGJZYRVCISRHC-BRWVUGGUSA-N 485.676 2.447 30 10 JEEE CNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1729608114 ATWBHNCGQHPLLA-IBGZPJMESA-N 497.600 2.319 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1ccnc(SCC)c1)[C@H]1CCS(=O)(=O)C1 1740622059 SWTJGYPPCGUZLR-KRWDZBQOSA-N 456.597 2.455 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1Cc1nc(C(F)(F)F)cs1)[C@H]1CCS(=O)(=O)C1 1740622532 ZETCXYYVBPBZGO-ZDUSSCGKSA-N 484.529 2.434 30 10 JEEE C#CCN(c1nnc(Cn2ccc3ccccc32)n1C[C@](C)(O)CCC)[C@@H]1CCS(=O)(=O)C1 1740625900 TZOGPTHJSDDKGW-HYBUGGRVSA-N 469.611 2.459 30 10 JEEE C#CCSCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)C[C@@H](C)C(=O)NC 1740715440 JDOQEFQBHGFBTF-QGZVFWFLSA-N 481.626 2.421 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(OC)cc2)n1CCS(=O)(=O)NC(C)C 1740734609 KKISGTOAJWXCGZ-JOCHJYFZSA-N 461.588 2.186 30 10 JEEE C=CC1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1740840853 CENVTAMBTPDJHY-QGZVFWFLSA-N 478.644 2.096 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(S(C)(=O)=O)CCC1 1740935564 PTENTGOCGJBUNF-FQEVSTJZSA-N 492.667 2.383 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc3ccccc3o2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1740987622 KOJLRQXSFGTEIC-KRWDZBQOSA-N 478.596 2.306 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CCC[C@@H](C(=O)OC)C1 1740994312 OXHNOOCWWSXKDV-GOSISDBHSA-N 462.572 2.156 30 10 JEEE C#CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1748711918 BXYNBZUYFZZDTN-QGZVFWFLSA-N 478.644 2.055 30 10 JEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)O[C@H](c2ccccc2)C1 1748717690 GEJULENBIGCUMC-BVSLBCMMSA-N 487.626 2.381 30 10 JEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN([C@H](C)c2ccc(F)cc2F)CC1 1748732273 XNERIZMOQSETRI-IAGOWNOFSA-N 480.585 2.463 30 10 JEEE C#CCN(c1nnc(-c2cccc3cccnc23)n1CCCNC(=O)C(C)C)[C@H]1CCS(=O)(=O)C1 1748809375 LXUWTYFAVPSHRN-FQEVSTJZSA-N 494.621 2.282 30 10 JEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CC1CN(C(=O)OC(C)(C)C)C1 1748855694 HGUKQVLNXIGJQK-UHFFFAOYSA-N 468.583 2.209 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2ccccc2C)CC1 1748892142 JOPXZXVBJJRNOA-JOCHJYFZSA-N 481.622 2.114 30 10 JEEE C#CCN(CC#CC)c1nnc(COc2ccccc2F)n1CCN1CCN(C)C(C)(C)C1 1748902625 HTKWQSBDMPNROZ-UHFFFAOYSA-N 452.578 2.485 30 10 JEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccc(C)c2C)CC1 1749022935 NWRHOFVCIBKKAX-IBGZPJMESA-N 476.672 2.198 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](COC)OC 1749068027 AONXYJYYZIQVEI-PMAPCBKXSA-N 463.579 2.240 30 10 JEEE C=C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCCC(=O)N(C)C)CC1 1749293168 DLZSLOLGSNYOJO-UHFFFAOYSA-N 460.604 2.220 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)N1CCc2ccccc21 1749575565 UIAWAKUCQYLEPL-KNQAVFIVSA-N 486.642 2.241 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1749661081 XQLNKSFORUEJLG-HKUYNNGSSA-N 454.575 2.328 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCN2CCOC[C@@H]2C)C1 1749701818 ZCZBERZBBVPUES-AZUAARDMSA-N 457.575 2.464 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCC[C@@H]1c1nncn1C 1749724211 IVAZYSKWEDNVBN-GOSISDBHSA-N 457.560 2.025 30 10 JEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2ccsc2)CC1 1749756311 WKMGBIHZJLCNFH-GOSISDBHSA-N 467.686 2.483 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(Nc2cccc(C)c2)CC1 1760154755 HNLQDWFCDVIZPU-QFIPXVFZSA-N 486.642 2.414 30 10 JEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H]1CCOC[C@@H]1OC)[C@H]1CCS(=O)(=O)C1 1760186366 MMVNTVZPDSMPLW-JBACZVJFSA-N 493.029 2.201 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC1(CCOCC)CCC1)[C@H]1CCS(=O)(=O)C1 1760188172 MYPNQJJHCMGHBT-MOPGFXCFSA-N 450.605 2.006 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@](C)(O)c1ccco1 1760203340 AXXZZHQWFILTPE-KOSHJBKYSA-N 469.542 2.160 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccc(C)n2)n1CCS(=O)(=O)N(C)C 1760240810 CVKKJHCTFUOLOR-UHFFFAOYSA-N 456.547 2.319 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC2(S(C)(=O)=O)CCC2)CC1 1760257163 QFZMBNNWVANRHV-SFHVURJKSA-N 475.590 2.280 30 10 JEEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(Cc2ccccc2OC)CC1 1760278969 MWHMATRNKFUCSF-UHFFFAOYSA-N 451.600 2.376 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(C)C)CC1 1760322583 UVHVNUJGTPPPIJ-AABGKKOBSA-N 451.637 2.082 30 10 JEEE C=C(C)COCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CC(=O)NC(C)(C)C 1760355795 WKJDRNNZONYTLF-UHFFFAOYSA-N 467.574 2.136 30 10 JEEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)OCC)CC1 1760360192 UKRWWFYQBLRLAY-UHFFFAOYSA-N 462.576 2.141 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCOC[C@@H](C2CCC2)C1 1760527785 IRSIWRAUTGVQAZ-IBGZPJMESA-N 455.559 2.421 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccc(Cl)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1760528206 VUYNCEPMLKIVEX-HNNXBMFYSA-N 470.020 2.149 30 10 JEEE C[C@H]1[C@H](C)CCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1763005961 HCDKKXGPEYZJJR-ZIFCJYIRSA-N 458.588 2.387 30 10 JEEE CCO[C@]1(c2nnc(N3CCN(c4ccccc4C#N)CC3)n2C[C@@H](C)N(C)C)CCOC1 1765911864 DXMIRCBWBVQYCU-NTKDMRAZSA-N 453.591 2.079 30 10 JEEE CN(Cc1ccoc1)c1nnc(COc2ccc(C#N)cc2)n1CCC(=O)N1CCOCC1 1768715255 GLCQSAWOBYRKMA-UHFFFAOYSA-N 450.499 2.207 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCOC2)n1CCN1CCOC[C@@H]1C 1769818695 CDRBEEAULRQJSD-SIKLNZKXSA-N 454.575 2.027 30 10 JEEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)c2nccs2)CC1=O 1771137812 GRIPMKXGVMMJPH-INIZCTEOSA-N 451.556 2.372 30 10 JEEE CSc1cccc(F)c1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@](F)(C#N)C1 1771425751 DHXAIMXTYIZYFF-XIKOKIGWSA-N 456.544 2.240 30 10 JEEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@H]2c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 1862484558 REOXJTWCTFRRIE-NRFANRHFSA-N 481.461 2.389 30 10 JEEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1862746908 FRBTURPGVYWSBX-WLRWDXFRSA-N 485.405 2.233 30 10 JEEE C=CCOc1ccccc1[C@@H]1C(C(=O)NCCO)=C(N)Oc2c1c(C(F)(F)F)nn2CC 1864322144 FNXVRYIPVHOIMO-AWEZNQCLSA-N 452.433 2.290 30 10 JEEE C=CCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccn2)[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1864891412 KFDYJKANYLVILR-FQEVSTJZSA-N 490.476 2.252 30 10 JEEE COc1ccc(S(=O)(=O)Nc2c(C#N)nnn2-c2cc(NC(C)=O)ccc2C)cc1OC 1870098533 JFRDRTNCQSHLKV-UHFFFAOYSA-N 456.484 2.224 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)OCCC)cn1CCN1C(=O)CSC1=O 1870333218 NBCGSRXCNJAKRH-UHFFFAOYSA-N 463.556 2.050 30 10 JEEE C[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)C(=O)Nc1ccccc1C#N 1873868676 MLBPMOKCPHRKAJ-DOTOQJQBSA-N 458.515 2.241 30 10 JEEE COC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)(C)C)C2)n1/N=C/c1ccccc1[N+](=O)[O-] 1874277646 BAOFOEGSDTXEFS-MNUWJXFPSA-N 460.516 2.448 30 10 JEEE CCN1CCN(CC#CCOC2CCN(C(=O)[C@H]3CCc4cc(OC)ccc4C3)CC2)CC1 1889450237 QOLHQPNAGHZLMA-DEOSSOPVSA-N 453.627 2.449 30 10 JEEE CN(CC1CCN(C(=O)C[C@@H]2CSc3nc4c(c(=O)n32)CCC4)CC1)c1ncccc1C#N 1890385408 QSALXYNMVJRNDT-GOSISDBHSA-N 464.595 2.411 30 10 JEEE COc1cncc(O[C@@H]2CCN(C(=O)[C@@H]3SCC(=O)N(C(C)C)[C@H]3c3ccc(C#N)cc3)C2)n1 1891486516 ARIFRZJWEGCKPX-YFXJRYMSSA-N 481.578 2.430 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H](Oc1c(I)cc(C#N)cc1[N+](=O)[O-])C(=O)O 1910562814 VRAYJRNYUWFOOI-LLVKDONJSA-N 477.211 2.428 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)N[C@@H](C(=O)O)C(C)(C)S 2019058152 MSHBBWVNJRQXFR-HOCLYGCPSA-N 454.545 2.291 30 10 JEEE CN1C[C@H](C(=O)N2CC[C@H]3C[C@@]3(B3OC(C)(C)C(C)(C)O3)C2)N(C(=O)OC(C)(C)C)CC1=O 2194128253 DFYWKVGLCQECEE-NXHTTZLHSA-N 463.384 2.149 30 10 JEEE CO[C@@H]1[C@H](OC)CN(C(=O)OC(C)(C)C)[C@@H]1COc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2241099773 LUVSLPAROKOEQA-LMMKCTJWSA-N 464.368 2.409 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@H]1NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2255745887 UBBMZDUUIPHXHW-LSDHHAIUSA-N 456.345 2.069 30 10 JEEE Cn1nc(C(=O)NC[C@H]2C[C@@H]2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2267171477 KSODOFLHOCPYNA-CHWSQXEVSA-N 468.791 2.263 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](NS(=O)(=O)Cc2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267471263 GICZYQMXJWMOBQ-GOSISDBHSA-N 466.409 2.415 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@H](NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2267707144 LVAKGFBTQWMSHD-SHTZXODSSA-N 470.372 2.459 30 10 JEEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@@H]3CCCN(C(=O)C(F)(F)F)C3)s2)OC1(C)C 2267716953 VQDIRKLIWYDXIL-LBPRGKRZSA-N 482.355 2.127 30 10 JEEE CC(C)(C)OC(=O)NCc1nnc(NS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)o1 2267719059 BXZFDNAREUZICJ-UHFFFAOYSA-N 486.381 2.256 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1[C@@H](C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C1(F)F 2268641682 BYISDPCVOGTPEJ-FZMZJTMJSA-N 473.351 2.465 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@]2(C(=O)N=c3nc(B4OC(C)(C)C(C)(C)O4)[nH]s3)CCC[C@H]12 2268654908 FVGGEUIVJXMCQW-YEJXKQKISA-N 464.397 2.377 30 10 JEEE CC(C)(C)OC(=O)NC[C@@]1(O)CCCN(c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2269005798 OXCDZVKUHUVACR-QFIPXVFZSA-N 451.348 2.376 30 10 JEEE COC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)Oc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2269019390 FEXCZACTBZXLFV-WFASDCNBSA-N 454.304 2.354 30 10 JEEE CC(C)(C)OC(=O)N1CC2(COC[C@@H](CNCc3occc3B3OC(C)(C)C(C)(C)O3)O2)C1 2279208882 XYBPIVSJBLPNJX-MRXNPFEDSA-N 464.368 2.073 30 10 JEEE CC1(C)OB(c2ccoc2C(=O)N2C[C@@H](CNC(=O)C(F)(F)F)C3(CCC3)C2)OC1(C)C 2282046902 RFJBCGDOPOWTRU-CYBMUJFWSA-N 456.270 2.500 30 10 JEEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CN(C(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)CCO1 2282061605 MYBRXXIUESPTCK-QAPCUYQASA-N 461.368 2.135 30 10 JEEE Cn1cc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C2CC2)c(B2OC(C)(C)C(C)(C)O2)n1 2282066739 LEIZMZSVLPKNNA-IAGOWNOFSA-N 460.384 2.237 30 10 JEEE Cc1cccc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2CO)c1B1OC(C)(C)C(C)(C)O1 2282109146 HFDNBUUHPDBDSJ-QGZVFWFLSA-N 460.380 2.348 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)NC[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 2282132246 ZOVSHVATGDEMTM-XMMPIXPASA-N 460.380 2.396 30 10 JEEE CC(C)(C)OC(=O)N[C@]1(C(=O)O)CCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2282190611 RLFRIFURXOJIRQ-HSZRJFAPSA-N 460.336 2.180 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@H](NC(=O)c2cccc(F)c2B2OC(C)(C)C(C)(C)O2)C1 2282408323 CFBQFKTUFMZBLN-OAHLLOKOSA-N 464.343 2.491 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCC[C@H]3[C@@H]2CCN3C(=O)OC(C)(C)C)n1 2282555488 UGBXKJBYQYEYQJ-IRXDYDNUSA-N 460.384 2.333 30 10 JEEE CC(C)[C@@H]1[C@@H](NC(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2282559894 RTMRCGSZRBILJO-DLBZAZTESA-N 462.400 2.483 30 10 JEEE Cn1nc(C(=O)N2CC[C@H](C(C)(C)NC(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2282614561 JLEFAMWIQWZVCZ-HNNXBMFYSA-N 462.400 2.485 30 10 JEEE Cc1ccc(C(=O)NCCC2(O)CN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2282680386 NALXHCOJIGTMQM-UHFFFAOYSA-N 460.380 2.396 30 10 JEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H]1CN(Cc2ccccc2)C(C)(C)C1 2282862438 CLYGQQLBWYWJKG-GOSISDBHSA-N 474.436 2.051 30 10 JEEE CC(C)(C)OC(=O)N1CCC(n2cc(C(=O)NCC#CB3OC(C)(C)C(C)(C)O3)nn2)CC1 2283961399 GJHZGVNFODPUEA-UHFFFAOYSA-N 459.356 2.215 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1)[C@H](O)C(C)(C)C 2284051399 NMDUDHPRBDDIBI-CVEARBPZSA-N 483.440 2.359 30 10 JEEE Cc1ccnc(C(=O)N[C@@H](CN(C)Cc2ccccc2)C(=O)O)c1B1OC(C)(C)C(C)(C)O1 2284433540 NGMWRUFVZIGFDX-SFHVURJKSA-N 453.348 2.004 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)NCCN(CC(=O)O)Cc1ccccc1 2285196378 GSTKEMMHZMZWSQ-UHFFFAOYSA-N 453.348 2.006 30 10 JEEE CCN(CC)CC(=O)OCC(=O)[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C 2333138585 ILZSJEITWDWIRX-XHBRPODHSA-N 473.610 2.450 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)Nc1cc(F)c(B2OC(C)(C)C(C)(C)O2)c(F)c1 2341214630 MVOLVHGBWJEUFF-HNNXBMFYSA-N 456.295 2.478 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H]3CCN(C(=O)OC(C)(C)C)[C@H]3C2)n1C 2362333223 RLISUGMQABARQX-CVEARBPZSA-N 460.384 2.109 30 10 JEEE CC(=O)Nc1cccc(NC(=O)CSc2nnc(N/N=C(\C)c3ccc4c(c3)OCO4)n2N)c1 21318103 YYNWDMNGKRFLGC-BRJLIKDPSA-N 482.526 2.246 30 10 JEEE COc1ccc([C@@H]2C3=C(Nc4[nH]c5c(c(=O)c42)c(=O)n(C)c(=O)n5C)c2ccccc2C3=O)cc1 104764573 UMXZEOWNFIGWML-MRXNPFEDSA-N 468.469 2.099 30 10 JEEE Cc1cc(C)c2c(OCC(=O)NCCCc3nn(-c4ccc(F)cc4)c(N)c3C#N)nn(C)c2n1 110588821 KTHZXQUODALHOR-UHFFFAOYSA-N 476.516 2.492 30 10 JEEE N#Cc1cccc(NC(=O)C2CCN(C(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@@H]34)CC2)c1 502252063 HQKXWXBJPPLQEI-IRFCIJBXSA-N 455.584 2.461 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)[C@@H](C)[S@@](=O)CC(=O)OCCOCCCC)cc21 586313508 LOCBJZCWZSNVOB-MKTHODDLSA-N 451.541 2.278 30 10 JEEE CC1(C)OB(c2cccc3c2N(S(=O)(=O)CCN2C(=O)c4ccccc4C2=O)CCC3)OC1(C)C 712228303 KHWCYDZPQGWBQT-UHFFFAOYSA-N 496.394 2.364 30 10 JEEE N#Cc1ccccc1OCc1cccc(C(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)c1 1126253086 GMIFZSHNVVJXCM-OAQYLSRUSA-N 457.552 2.356 30 10 JEEE C[C@@H](CC(=O)N1CCCN(Cc2ccc(F)cc2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1136037225 ASZPKRGFVSJYDY-KRWDZBQOSA-N 458.559 2.377 30 10 JEEE C#CC[C@@]1(C(=O)N2CCC(C(=O)OCC)([S@@](C)=O)CC2)CCCN1C(=O)OC(C)(C)C 1158402462 JBCGDYNMFCOMHA-JCOAXYOVSA-N 454.589 2.082 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)NCc2ccccc2CN2CCC(O)CC2)C1 1223208104 HSAKFSHEHAUMQV-FPOVZHCZSA-N 457.575 2.202 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2Cc2c(CC)noc2C)c1 1286308554 JYOWFSQROWAQIV-UHFFFAOYSA-N 463.542 2.380 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1CCCn1nc(C)cc1C)[C@H]1CCS(=O)(=O)C1 1286392924 ICVNWDUQRYPXID-QFIPXVFZSA-N 496.637 2.408 30 10 JEEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1286508499 SOEGRKVKHYUTEB-UHFFFAOYSA-N 468.612 2.337 30 10 JEEE C=C(C)COCCn1c(-c2cccc(OC)c2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1286605452 WSDJLEHDBFTXKS-UHFFFAOYSA-N 451.531 2.133 30 10 JEEE C=CCCOCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@@](C)(C(=O)NC)C1 1286710196 PPJPEDNDROMBGD-RUZDIDTESA-N 479.585 2.230 30 10 JEEE C=CCCOCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](C(=O)NC)C1 1286710681 BYNRAOANNRSSPO-MOPGFXCFSA-N 492.621 2.142 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC(CCCO)CC1 1286779351 GYDWRUQOJIAUDK-UHFFFAOYSA-N 465.396 2.337 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1286788670 BPHCBEXBPRLDFA-SFHVURJKSA-N 456.566 2.299 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1286793376 XAUWGVJNLXNDIJ-OAQYLSRUSA-N 460.991 2.385 30 10 JEEE CCCN(CC)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1294523923 IDDMXTBOCOLZIG-QFIPXVFZSA-N 465.602 2.376 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cn3nc(C)cc3C)n2CCN2CCCC2)c1 1300337302 YHDQFRTYLGHJGY-UHFFFAOYSA-N 460.586 2.292 30 10 JEEE C#CCN(C)c1nnc(Cc2ccncc2)n1C[C@@H]1C[C@@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1300466975 BZIHLCOUOINXCL-AABGKKOBSA-N 452.559 2.358 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H]1C[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1300479331 LUXLQUOWRDMAEP-WSTZPKSXSA-N 455.584 2.430 30 10 JEEE C#CCN(c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@H]1CCCOC1)[C@H]1CCS(=O)(=O)C1 1300489604 PZGSMVWSQFYNCH-QUCCMNQESA-N 488.610 2.406 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCN(C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1300496673 TUGXBMLPCARQKA-IFMALSPDSA-N 471.627 2.325 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccnc2)n1C[C@@H](c1ccc(C)o1)N1CCOCC1 1300664940 WIPJDAKLPZUBFT-NRFANRHFSA-N 450.543 2.401 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@](C)(O)C2CC2)CC1 1300700784 WKFCUOGZQWUVBV-KBMIEXCESA-N 472.634 2.309 30 10 JEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N(C)CC(=O)Nc1cc(F)cc(F)c1 1300768370 QAJJFQJFEDIUOL-UHFFFAOYSA-N 462.526 2.120 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N(C)C[C@H]1CN(CC)c2ccccc2O1 1301506382 KFSZUPVNHFCLHW-FQEVSTJZSA-N 461.570 2.290 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(c2ccccc2OC)CC1 1301578997 LMUOIFDBXVXBEX-UHFFFAOYSA-N 456.572 2.209 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCS(C)(=O)=O)C1 1302239385 CIJDVRIDOCTGQV-GOSISDBHSA-N 474.587 2.355 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC1(N(C)C)CCC1 1305782970 GVUVEQANEDTEGI-UHFFFAOYSA-N 479.633 2.274 30 10 JEEE C=CCNC(=O)c1cccc(S(=O)(=O)NC2(CN3CCN(c4ccccc4)CC3)CC2)c1 1309684843 WGBGISBSGLRJTC-UHFFFAOYSA-N 454.596 2.236 30 10 JEEE CCCN1CCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](COC)C1 1313451923 CFQWDCUCWDNVCK-RBBKRZOGSA-N 454.575 2.455 30 10 JEEE CCn1nc(-c2nnc(N(C)[C@H](C)CC#N)n2C[C@@H]2CCCCS2(=O)=O)c2ccccc2c1=O 1313958611 DAYKLDXZLNYRKG-SJORKVTESA-N 483.598 2.381 30 10 JEEE CCOCc1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CCCN1CCOC1=O 1314373396 APUDTXONUAVKMJ-UHFFFAOYSA-N 453.547 2.245 30 10 JEEE C#CCCCn1c(N2CCCN(Cc3cnn(C)c3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1358936057 BHWVBMHKJXKLCJ-XMMPIXPASA-N 455.607 2.178 30 10 JEEE C#CCN(c1nnc(-c2cc(-c3ccccc3)on2)n1CCOCC)[C@@H]1CCS(=O)(=O)C1 1358962034 JCHVBDZNIMGOTN-GOSISDBHSA-N 455.540 2.263 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1CCNC(=O)c1ccc(C)c(F)c1)[C@H]1CCS(=O)(=O)C1 1358963510 JLJRJSDLCOLBPI-IBGZPJMESA-N 489.617 2.371 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(c2ccccc2)CCOCC1 1358993939 AECUZCHNZYYDNH-NRFANRHFSA-N 466.607 2.392 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc3cccnc23)n1CCNS(=O)(=O)Cc1ccon1 1359005516 LLVFKLPSUFTBOY-UHFFFAOYSA-N 465.539 2.060 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC[C@@H](N2CCOCC2)C(F)(F)F)CC1 1359032294 JOSRMAPKWRBPCN-GOSISDBHSA-N 497.953 2.402 30 10 JEEE C#CCSCCn1c(N2CCN(C(=O)OCC(C)C)CC2)nnc1[C@@]1(OCC)CCOC1 1359061769 LUTFJIREDMEVMW-JOCHJYFZSA-N 465.620 2.211 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1359083736 QASLDXZHVDOFBT-MRXNPFEDSA-N 461.364 2.438 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(=O)NCCCC)C1 1359084900 VSJRNMHBIOLMFJ-HZPDHXFCSA-N 488.452 2.222 30 10 JEEE C=C(C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1359118378 GCVQRYDQGATLQV-QHCPKHFHSA-N 454.531 2.353 30 10 JEEE C=CCCOCCn1c(-c2ccc(Br)s2)nnc1N1CCO[C@H](C(=O)NC)C1 1359223289 GJOFWEDHSRYQJC-ZDUSSCGKSA-N 470.393 2.313 30 10 JEEE C=CCCOCCn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1359229895 YFZFKEKQBHBCJE-UHFFFAOYSA-N 488.564 2.163 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(F)c(F)c1F)C1CC1 1359251410 KMYLAKDRESCBSY-KRWDZBQOSA-N 485.532 2.426 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1359294977 KZOMAYHSFZUKEE-LBPRGKRZSA-N 494.375 2.341 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCN(CC(C)C)C2)C1 1359322459 WBFXOHTZJJMUBO-QHAWAJNXSA-N 465.664 2.330 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCCc2ccccc2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1359334523 IVJVNHZZRGBBPH-RDPSFJRHSA-N 474.627 2.438 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC=C(C(F)(F)F)CC1 1359335997 ARAFWUABSAANOO-HOCLYGCPSA-N 464.510 2.302 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@](C)(N2CCOCC2)C1 1359336500 RSTKWZRDXKAYTR-REHUZNOOSA-N 495.690 2.099 30 10 JEEE C=CCSCCn1c(COc2ccc(C)cc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1359345477 HHLCJMPGRGPEOA-UHFFFAOYSA-N 484.626 2.012 30 10 JEEE CC(C)NC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N(C)Cc1ccc(C#N)cc1 1360295381 AEIFKOTVIPHJEM-UHFFFAOYSA-N 451.556 2.302 30 10 JEEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NC[C@H]1CC(=O)N(C(C)(C)C)[C@@H]1c1cnn(C)c1 1461539339 HETKHQJOPZXDPG-HXOBKFHXSA-N 476.585 2.388 30 10 JEEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCCO[C@@H](C)C2)CC1 1504912672 AFEFTLMFRWSZFH-NRFANRHFSA-N 467.618 2.086 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CCN2CCC[C@H]2C)c1 1507547441 LFLUDXDJUVDFRP-LJQANCHMSA-N 463.586 2.055 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2CCCc2nc(C)no2)c1 1507550349 YBQRXKDPJSEICI-UHFFFAOYSA-N 457.498 2.116 30 10 JEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1507576141 KSLSVSMQEKHEEY-IBGZPJMESA-N 487.626 2.383 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H]1CCN(CC)C1)[C@H]1CCS(=O)(=O)C1 1507622610 KEHMWRWKSXJPCQ-IRLDBZIGSA-N 498.653 2.116 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1CCCCc1nc(C)cs1)[C@@H]1CCS(=O)(=O)C1 1507633461 SOMHWHBBVWISPY-ZWKOTPCHSA-N 463.629 2.197 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2F)n1C[C@H]1CCCN1S(C)(=O)=O 1507705380 SBTVEURLUNUDRI-MRXNPFEDSA-N 469.970 2.248 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(COC)cc2)CC1 1507740324 LPSWFHCNXDYHIL-UHFFFAOYSA-N 475.597 2.300 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OC)n2CCc2cccnc2)CC1 1507741507 VPFAHJZUXGMHSU-UHFFFAOYSA-N 474.565 2.469 30 10 JEEE C=C(Br)Cn1c(-c2noc3c2COCC3)nnc1N1CCN(CCOCC)CC1 1507781910 MTFNLSKWLWTRGZ-UHFFFAOYSA-N 467.368 2.073 30 10 JEEE C=CC1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CC(=O)NCC(F)(F)F)CC1 1507900059 DFIVJLXVDHKYPD-UHFFFAOYSA-N 461.452 2.002 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCS(=O)(=O)CC)C1 1508120099 YTOIUPIEMVZCTA-HXUWFJFHSA-N 456.572 2.347 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1508143264 FZXGPQXOYQYAOE-AEFFLSMTSA-N 451.618 2.240 30 10 JEEE CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCO2)CC1 1513187735 IFTMAKRKBGTHJK-NQIIRXRSSA-N 451.575 2.032 30 10 JEEE CCC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCN2S(C)(=O)=O)CCO1 1514384071 CZDLAIBGFGJEAD-CTNGQTDRSA-N 488.614 2.158 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCN(CC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1539212609 WFDBOGYHOSCJLX-OAQYLSRUSA-N 454.600 2.174 30 10 JEEE C#CCN(c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCC=C)[C@H]1CCS(=O)(=O)C1 1539218605 BFHMZHVEBPJMQC-RBUKOAKNSA-N 493.630 2.179 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1539291107 WFWHBPARHLSYHT-HXUWFJFHSA-N 472.471 2.065 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(CS(C)(=O)=O)cc2)CC1 1539467607 XDEVYXSQTXNUDH-UHFFFAOYSA-N 471.627 2.134 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2CC[C@](C)(CC)O2)CC1 1539489056 QAKPJMSVKLMMQD-OFVILXPXSA-N 467.618 2.453 30 10 JEEE C#CCSCCn1c(-c2ccc3ccccc3n2)nnc1N1CCN(CC(=O)NCC)CC1 1539505814 DTLBBYPAXKELNL-UHFFFAOYSA-N 463.611 2.118 30 10 JEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N(C)CC(=O)Nc1cc(F)cc(F)c1 1539721798 HUTHXNCILMURRR-UHFFFAOYSA-N 462.501 2.460 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 1539803185 GQGYYSZLMFQSRW-QGZVFWFLSA-N 456.012 2.304 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(C(=O)c2ccco2)CC1 1540863289 STLLGBOXSHDMCU-QGZVFWFLSA-N 482.516 2.415 30 10 JEEE C=CCSCCn1c(Cc2ccccc2OC)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1540917706 CHNCZEZPSOWQCW-UHFFFAOYSA-N 498.653 2.068 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C 1541115945 HJKGWTSROZIYBA-XWSJACJDSA-N 482.651 2.048 30 10 JEEE CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](OC)C(C)(C)C)CC1 1547764131 BPCYAZZOIBWAQW-FQEVSTJZSA-N 453.591 2.136 30 10 JEEE CCOC1CC(Cn2c(Cn3nc(C)cc3C)nnc2N(C)[C@@H](C)CC#N)(N2CCOCC2)C1 1548019117 GUBDBQFRYZZGAB-RNQSCQIESA-N 470.622 2.148 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(Sc2ccccc2)CC1 1587638333 CYMFDNGHWYXTQD-PKOBYXMFSA-N 475.640 2.394 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCN1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1588035137 PKBUBVNNNURJIS-NRFANRHFSA-N 486.598 2.212 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(C(=O)NC2CC2)cc1 1589070552 UUUXHUIJJKCAAU-LJQANCHMSA-N 487.651 2.075 30 10 JEEE C=C(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 1593600465 KPWMBYVFXISPBH-UHFFFAOYSA-N 469.011 2.446 30 10 JEEE C=C(C)COCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(C(=O)OC)CC1 1593703909 NCTVUVANULCYBS-UHFFFAOYSA-N 475.546 2.452 30 10 JEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccnc(OC3CCOCC3)c2)CC1 1594192812 MHOSZBQTSIHNHZ-KRWDZBQOSA-N 490.630 2.292 30 10 JEEE C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 1594615983 MORPEUBQDUJKFK-RTBURBONSA-N 464.636 2.416 30 10 JEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(N(CC)CC)cc1 1594962405 KQFFYWLBPVVJHS-HXUWFJFHSA-N 462.620 2.128 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1595777214 JXDBWCAZCRCIKW-FQEVSTJZSA-N 459.616 2.013 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 1595797123 DWHUIEGCLGLZRO-OALUTQOASA-N 481.663 2.152 30 10 JEEE CCN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CCCN1CCCCC1=O 1615666309 GQPXHOUOSFCGDW-UHFFFAOYSA-N 458.588 2.090 30 10 JEEE CCOCc1nnc(N2CCCN(c3ccccc3C#N)CC2)n1Cc1cnn(CCOC)c1 1616883760 AMNDBEYXICSJEJ-UHFFFAOYSA-N 464.574 2.294 30 10 JEEE C[C@@H]1CN(CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)CCN1CC(C)(C)O 1642737667 DRKODEUCLQJMMV-MOPGFXCFSA-N 457.619 2.133 30 10 JEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H](CS(C)(=O)=O)c2ccccc2)cc1 1667956715 RDSJAHJYENUXJH-LJQANCHMSA-N 451.570 2.401 30 10 JEEE C#CCOc1ccccc1CNC(=O)N1CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C1 1679245121 WSFPRKPURVHEPV-LJQANCHMSA-N 458.559 2.261 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCc1ccc(S(C)(=O)=O)cc1 1689848010 MTVNUZOOBCMWKA-HNNXBMFYSA-N 455.540 2.110 30 10 JEEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC1CCN(C(C)=O)CC1 1689861349 UAHXMDRGPBISAL-QFIPXVFZSA-N 477.657 2.359 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2CCCn2nc(C)cc2C)c1 1689873736 VHLXKKQFSPEYQD-UHFFFAOYSA-N 488.596 2.360 30 10 JEEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1CC[C@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1689980464 SKQCQMRRZQPEIW-FDFHNCONSA-N 472.611 2.252 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(F)ccc3Br)n2CC2(O)CC2)CC1 1690137950 MRDBQOFXXJPXRZ-UHFFFAOYSA-N 476.350 2.337 30 10 JEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(c2nccs2)CC1 1690155826 OZCJSXOHUNNXPA-CQSZACIVSA-N 454.647 2.095 30 10 JEEE C=C(Cl)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1690350345 HAIYDJANTVBPNB-FQEVSTJZSA-N 479.050 2.019 30 10 JEEE C=CCC(C)(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1690428700 ZOGKDJJPCQLHKA-MRXNPFEDSA-N 480.660 2.464 30 10 JEEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1690508948 SWWRJOJLWVSLHZ-BHIFYINESA-N 474.650 2.001 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC(C)(C)C)nc1)C1CC1 1690544807 BQIKVQNAXKCBQC-IBGZPJMESA-N 490.630 2.386 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCN(c2ncc(F)cn2)CC1 1690667065 PAEAQMAHOFCBAS-UHFFFAOYSA-N 456.913 2.156 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCNC(=O)[C@@H]1CC 1690684801 OPKVVMVQKWYLPO-ZJOUEHCJSA-N 455.559 2.330 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ccc(C)cc2)CC1 1690714612 PVUIMQJTQDZGRZ-UHFFFAOYSA-N 495.609 2.161 30 10 JEEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCO[C@H]1c1ccc(C)cc1 1705573276 DBOMEHWBASKYQZ-NNWRFLSQSA-N 469.611 2.437 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C[S@@](C)=O)cc1 1705674505 KOKOHGMGNOUQJG-FDPMZEKSSA-N 460.625 2.099 30 10 JEEE C=CC1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCS(=O)(=O)NC(C)C)CC1 1705782151 PSVZMLWLDUBUFS-UHFFFAOYSA-N 488.662 2.182 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@]2(OC(C)C)CCOC2)n1CC(=O)N(C)C 1705858213 SFQKRXLPXRMMGL-DEOSSOPVSA-N 452.559 2.471 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@@]2(O)CCN(C)C2)C1 1705921420 RTGYQNOUISFWSX-YADARESESA-N 457.575 2.200 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(CCN2[C@@H](C)CC[C@H]2C)CC1 1705935292 MSCQRUSSBFWRKE-OYRHEFFESA-N 480.723 2.462 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 1705936334 ORXLKLPDDISKKP-FQEVSTJZSA-N 479.647 2.144 30 10 JEEE CCNC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](OC)C(C)(C)C)CC1 1710333028 FWXMSOCMAGDXSX-OAQYLSRUSA-N 483.617 2.048 30 10 JEEE CCO[C@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2CCCN2CCN(CC)CC2)CCOC1 1710465536 AKFPGNUZMQFLIJ-DNQXCXABSA-N 459.639 2.088 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCC(=O)NC1CC1 1722279772 QNBOBNAKPNQODP-OAHLLOKOSA-N 457.604 2.063 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2Br)n1C[C@H]1CCN(S(C)(=O)=O)C1 1722288082 VWIPTUTZHUWFKW-GJZGRUSLSA-N 466.405 2.447 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(CC)(CC)NC(=O)OC(C)(C)C 1722381974 CPKRAONEBADSGY-GOSISDBHSA-N 477.631 2.337 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC(F)(F)Br)CC1 1722430352 BEIFOSLOPOFMPD-KRWDZBQOSA-N 462.339 2.062 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2CC2(C(=O)NCC)CCC2)CC1 1722445454 QRPDDLBTFZYKMJ-UHFFFAOYSA-N 478.597 2.226 30 10 JEEE C=C(Br)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@@](C)(C(=O)NC)C1 1722482957 FASMHDHBJDHNSO-HXUWFJFHSA-N 472.347 2.465 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1722502022 HORNESNESKIZAP-JQVVWYNYSA-N 458.607 2.075 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1)C(C)C 1722665633 NTTOYHBUVTWVAN-PCCBWWKXSA-N 457.623 2.384 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1722694628 CECGXVLKCMYZQC-KRWDZBQOSA-N 470.574 2.006 30 10 JEEE CO[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc(F)c2C#N)CC1)C(C)C 1729885251 DNGWHXUXZITXKD-LAUBAEHRSA-N 490.605 2.189 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccccc1OC1CCCC1)[C@H]1CCS(=O)(=O)C1 1740616372 ZZBYIQGRULTNNI-FQEVSTJZSA-N 499.637 2.413 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@H](C)CN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1740623960 BHDFGRVAZHXBBX-IRLDBZIGSA-N 470.643 2.013 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1noc(CC)n1)[C@H]1CCS(=O)(=O)C1 1740627321 GJPFTDHVSUCUOM-SQGPQFPESA-N 490.630 2.012 30 10 JEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@](C)(O)[C@@H](C)CC 1740631563 CEVCYBMZBYMZBF-GAJHUEQPSA-N 456.616 2.417 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1740642066 SFRDZJLOYCNVRO-VXKWHMMOSA-N 463.536 2.427 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(Br)cc2)n1CC(=O)NCC(F)(F)F 1740681693 BRILXVNFVIZBDC-UHFFFAOYSA-N 474.281 2.472 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2cc(OC)c(OCC)c(OC)c2)CC1 1740705539 HZXQVUBHEZDJEQ-HXUWFJFHSA-N 497.596 2.212 30 10 JEEE C=C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCCC(=O)NC2CC2)CC1 1740819866 HVPWOKPBJNRJLD-UHFFFAOYSA-N 472.615 2.411 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CC1(S(C)(=O)=O)CC1 1740913281 BVJSKLGENOUSHZ-SFHVURJKSA-N 459.572 2.008 30 10 JEEE C=CCNC(=O)Cn1c(Cn2ccc3ccccc32)nnc1N1CCCN(C(=O)C(C)C)CC1 1740963293 GWPWQFPOSDFECJ-UHFFFAOYSA-N 463.586 2.278 30 10 JEEE C[C@@H](CN1CCCCC1)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(OCC(N)=O)CC1 1741871653 FCFQOVCNTFYJEG-IBGZPJMESA-N 465.602 2.409 30 10 JEEE CCOCc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1C[C@H]1CCOC[C@@H]1OC 1747174657 GVZZESMIUBMDRN-PKTZIBPZSA-N 468.602 2.450 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1CCN1CCOC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1748809922 QXSGNOBOFMVFCL-FUHWJXTLSA-N 496.008 2.085 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1CC[S@@](=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1748810416 VVGDXQMDZXEYAZ-YVGXBJCXSA-N 462.641 2.427 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@H](C)N1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1748819664 RECLEMVGDBEAOW-JAXLGGSGSA-N 470.643 2.011 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ccc(NC(C)=O)nc1 1748915051 NWCUYKZWPKZWQF-UHFFFAOYSA-N 481.582 2.057 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCNC(=O)c2ccco2)CC1 1748999236 MTILCIZBGNJDPE-UHFFFAOYSA-N 462.554 2.252 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](CC(C)C)NC(=O)OCC)CC1 1749010824 XNFOYCMGQFMTQL-RTWAWAEBSA-N 488.633 2.299 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCN(CC)CCC(F)(F)F)CC1 1749014463 KNPRWOUTXQVMDR-SFHVURJKSA-N 470.540 2.022 30 10 JEEE C=C(C)COCCn1c(-c2cc(Br)cn2C)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1749212944 BOLKGNMMYJNSPK-MRXNPFEDSA-N 478.395 2.195 30 10 JEEE C=CCCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1749390687 HHHYTTXCYKOEBU-DLBZAZTESA-N 456.522 2.061 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1760099425 GQLVAFWBNRLCHM-MHECFPHRSA-N 472.590 2.031 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1CCN(C(C)=O)CC1 1760110670 GJFCMMHDGLPQNL-KRWDZBQOSA-N 461.570 2.391 30 10 JEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2OC)CC1 1760131577 VRUORKZSEHCQBO-GOSISDBHSA-N 460.604 2.027 30 10 JEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)Cc1cccs1)[C@H]1CCS(=O)(=O)C1 1760178799 ATEDBUWOPJRURW-ROUUACIJSA-N 475.640 2.081 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CC1(COC)CCC1)[C@@H]1CCS(=O)(=O)C1 1760183701 CVSXTLDEXAXVCL-HXUWFJFHSA-N 453.568 2.260 30 10 JEEE C#CCN(c1nnc(C2CCC2)n1Cc1cccc(NC(=O)OC)c1)[C@H]1CCS(=O)(=O)C1 1760190318 ZSAWIJDKMMSGNS-IBGZPJMESA-N 457.556 2.399 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](CC)c3ccccc3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1760266372 XCJPDEGKDOWUCU-ZRBLBEILSA-N 465.598 2.326 30 10 JEEE C#CCSCCn1c(-c2ccccc2Br)nnc1N1CCO[C@@H](C(=O)NC)C1 1760278485 WTAVQYOGISZWQP-MRXNPFEDSA-N 464.389 2.025 30 10 JEEE C=C(C)COCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(C(=O)NCC)CC1 1760355526 NJMYOORNLDHKKP-UHFFFAOYSA-N 466.546 2.038 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](c2cccc(F)c2)N(C)C)CC1 1760389521 MJEGLLPRJOPHNC-LEWJYISDSA-N 492.621 2.209 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1(O)CCS(=O)(=O)CC1 1760497902 XCVYZBPNEYAWHZ-SFHVURJKSA-N 495.646 2.468 30 10 JEEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 1760506990 YIHGZQKVSDNGOK-ZIAGYGMSSA-N 454.622 2.406 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC(=O)N2CCOCC2)C1 1760538386 CXMYSBLVYZUUHD-SFHVURJKSA-N 463.485 2.187 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CCN(CCOC)[C@H](C)C1 1760550890 MVOKQPRTACDRCJ-QGZVFWFLSA-N 468.023 2.356 30 10 JEEE CCO[C@@H](CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1)C(C)C 1767352218 BBFMNZLZAZUVQN-QFIPXVFZSA-N 467.618 2.478 30 10 JEEE CCO[C@@]1(c2nnc(N(C)Cc3cccc(C#N)c3)n2Cc2ccc(C)n(C)c2=O)CCOC1 1767394284 IEEGOSUFQPLIIY-VWLOTQADSA-N 462.554 2.494 30 10 JEEE CCO[C@]1(c2nnc(N3CCC(CC#N)CC3)n2Cc2cccc(S(=O)(=O)NC)c2)CCOC1 1767433671 BILADTRHSIUFTD-HSZRJFAPSA-N 488.614 2.017 30 10 JEEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](N1CCOCC1)C(F)(F)F 1768633148 CXOPOSRBQZZZRQ-MSOLQXFVSA-N 477.491 2.000 30 10 JEEE COC1CCN(C2(Cn3c(C(=O)NC(C)C)nnc3N3CC[C@@](F)(C#N)C3)CCCC2)CC1 1769074246 IAIGUNLGSUGJLD-JOCHJYFZSA-N 461.586 2.282 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@@H]2c2cc(OC)c(O)c(OC)c2)cc1 1862695577 HEDWCNYYJQOOKX-HXUWFJFHSA-N 470.478 2.132 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NC[C@@H]2CCCO2)cn1CCCCCCO 1870540368 WVNJFUIMUYNMIL-QFIPXVFZSA-N 461.603 2.249 30 10 JEEE C=CCn1cc(OCC(=O)NCc2ccc(OC)cc2)c(=O)cc1CN1CCC(N(C)C)CC1 1870648291 REIJBYYDTOLFBV-UHFFFAOYSA-N 468.598 2.264 30 10 JEEE CCN(CC)C(=O)CSc1nnc(COC)n1/N=C/c1cc(OC)c(OC)c(OC)c1 1874499283 NHZAHQKADZMZLL-SRZZPIQSSA-N 451.549 2.293 30 10 JEEE Cc1cc(OC(C)C)ccc1S(=O)(=O)N1CCC(OCC#CCN2CCN(C)CC2)CC1 1889739511 UILZZADPAQDXBB-UHFFFAOYSA-N 463.644 2.203 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CC[S@@](=O)(=NC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2255644622 KNPNFLFKAOMXCE-ICNDJQDOSA-N 471.410 2.348 30 10 JEEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CN(C(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)CCO1 2267170786 AHBASYWQXLVXEF-KGLIPLIRSA-N 467.397 2.197 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)Nc1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)n1 2268629914 CXVUTDUXOHUTBB-TZMCWYRMSA-N 467.759 2.343 30 10 JEEE CC(C)(C)OC(=O)NCC1CN(CC(=O)NCc2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2268637980 PSUFBAGANBSSID-UHFFFAOYSA-N 465.425 2.120 30 10 JEEE CO[C@H]1[C@H](COc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)N(C(=O)OC(C)(C)C)C[C@H]1OC 2280558404 WTVXQGXCMLLJOZ-SCTDSRPQSA-N 464.368 2.409 30 10 JEEE Cc1c(C(=O)N2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281801612 FZZDBBYUYZNZKV-INIZCTEOSA-N 462.400 2.357 30 10 JEEE CN(C(=O)OC(C)(C)C)[C@H]1CN(C(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)CC12CC2 2281974541 XPIZBSPJNZJAPN-INIZCTEOSA-N 460.384 2.191 30 10 JEEE CCc1nn(C)c(C(=O)N(CC)C2CN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2281990476 NJOBCBVYKUGEMB-UHFFFAOYSA-N 462.400 2.363 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1CC(F)(F)CN1C(=O)OC(C)(C)C 2282036471 JSCRUEHTSYOZGU-ZDUSSCGKSA-N 470.326 2.094 30 10 JEEE Cn1cc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C3(CC3)C2)nc1B1OC(C)(C)C(C)(C)O1 2282040594 LEHOZBAGEHCJTC-HNNXBMFYSA-N 460.384 2.381 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCN(Cc3ccccc3)CC(F)(F)C2)n1 2282042427 GYUAWAKPBWTCBZ-UHFFFAOYSA-N 460.334 2.313 30 10 JEEE CC1(C)OB(c2cccc(S(=O)(=O)NC[C@H]3CCCCN3C(=O)C(F)(F)F)c2)OC1(C)C 2282335311 NVKWALUBMYESGB-OAHLLOKOSA-N 476.326 2.208 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@H](NC(=O)c2cc(F)ccc2B2OC(C)(C)C(C)(C)O2)C1 2282400857 JGBXLLDIAWSYPP-MRXNPFEDSA-N 464.343 2.491 30 10 JEEE Cn1ncc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)CC23CC3)c1B1OC(C)(C)C(C)(C)O1 2282561897 MWFFHTVBXRJZKM-MRXNPFEDSA-N 460.384 2.239 30 10 JEEE CC1(C)OB(c2cnc(C(=O)NC[C@]3(O)CCN(Cc4ccccc4)C3)c(Cl)c2)OC1(C)C 2282607835 ZHWSGANXHCCNTF-XMMPIXPASA-N 471.794 2.401 30 10 JEEE CC1(C)OB(c2c[nH]c(C(=O)N3CCO[C@H]4CCN(Cc5ccccc5)C[C@H]43)c2)OC1(C)C 2282645505 JIZYRULWMKCCSY-YADHBBJMSA-N 451.376 2.429 30 10 JEEE CC(C)(C)OC(=O)N1CC([C@@H](F)CNS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2282865852 ZMXOYSYWDAABFM-SFHVURJKSA-N 484.399 2.469 30 10 JEEE Cc1nc(NC(=O)c2coc(CNC(=O)OC(C)(C)C)n2)ncc1B1OC(C)(C)C(C)(C)O1 2283931042 VYNHAASINRMYPU-UHFFFAOYSA-N 459.312 2.349 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@]2(C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)C1 2283959916 RMBZXXYUPAJNIY-RCDICMHDSA-N 479.408 2.085 30 10 JEEE Cn1cc([C@H](NC(=O)OC(C)(C)C)C(=O)NCc2ccc(B3OC(C)(C)C(C)(C)O3)s2)nn1 2283972512 RXUWUOYCQDVTEK-INIZCTEOSA-N 477.396 2.058 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N1CC[C@@H](NC(=O)C(F)(F)F)[C@@H](C)C1 2285206616 PSELGRBCGNKKFJ-DZGCQCFKSA-N 455.286 2.218 30 10 JEEE N#C[C@@H]1C(=O)Nc2nc(N3CCC(C(N)=O)CC3)[nH]c(=O)c2[C@@H]1c1ccc(Cl)cc1Cl 72443742 MDXZVWYDUPJWFV-GXTWGEPZSA-N 461.309 2.002 30 10 JEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2c(OC)ccc3ccccc23)c(=O)n1C[C@H]1CCCO1 603797225 CCJIZJZJENUTCC-GOSISDBHSA-N 475.570 2.056 30 10 JEEE CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccccc3)c(=O)n2-c2ccc(C)c(F)c2)CC1 609405844 HIYZTSSUVMQVSM-UHFFFAOYSA-N 476.577 2.014 30 10 JEEE CCO[C@H]1CN(C(=O)C#CCNC(=O)OCC2c3ccccc3-c3ccccc32)C[C@H]1C(=O)O 757470610 KFMDDPSMXPORAL-GGAORHGYSA-N 462.502 2.477 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)OCC3=C(C(=O)OCC)[C@@H](c4ccccc4)NC(=O)N3)cc2C1=O 757738120 JBQMICSXOUGLLL-OAQYLSRUSA-N 489.484 2.497 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)O[C@H](C)C(=O)c3ccc(NS(C)(=O)=O)cc3)cc2C1=O 916416271 VIPXXPJRGSOUFZ-CYBMUJFWSA-N 456.476 2.268 30 10 JEEE C=CCNC(=O)CN1CCN(C(=O)[C@H]2CCCCN2C(=O)/C=C\c2ccc(Cl)cc2)CC1 919682860 RGLXPLOYKYHBBD-ZRKSWWEUSA-N 458.990 2.181 30 10 JEEE C=CCn1c(SC[C@H](O)C(C)C)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 1188291806 MAQOMHVMGROOPL-SFHVURJKSA-N 452.602 2.261 30 10 JEEE C#CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1286337510 JXWIMRWTCFSXLZ-SJLPKXTDSA-N 460.604 2.200 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H](C)c1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1286390097 WXFYSJNADXCZAM-NQIIRXRSSA-N 452.584 2.417 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CC[C@](C)(CC)O1)[C@H]1CCS(=O)(=O)C1 1286392065 HQQFZTFAQOEPPQ-GHDARCQNSA-N 450.605 2.147 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1cccc(OC)c1OC)[C@H]1CCS(=O)(=O)C1 1286395174 RCCDNTSWKJYSOO-AZUAARDMSA-N 474.583 2.212 30 10 JEEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(N2CCOCC2)c(F)c1 1286437487 OEVXAGYUWYJBAN-DEOSSOPVSA-N 457.550 2.414 30 10 JEEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1286452034 HNFKMWKPRSIVTO-KSZLIROESA-N 459.513 2.115 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(C)cc2OCC(F)(F)F)CC1 1286470868 DGVDNQHAXUSAFJ-UHFFFAOYSA-N 478.519 2.469 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 1286478402 AFIPRLZXIUFCRM-WOJBJXKFSA-N 458.607 2.327 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCc2cccs2)CC1 1286486851 CAMLXMZNNYUAMD-QHCPKHFHSA-N 457.600 2.200 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2Cc2cccc(N(C)C)c2)CC1 1286492943 LBNXAGQUCDTOFO-NRFANRHFSA-N 450.587 2.252 30 10 JEEE C=C(C)Cn1c(N2CCC(Oc3ccnc(C(N)=O)c3)CC2)nnc1[C@@]1(OCC)CCOC1 1286599668 ZEKOCTWSZCRFJA-HSZRJFAPSA-N 456.547 2.048 30 10 JEEE C=C(C)COCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(CC)[C@H](C)C1 1286606501 ROALZFMMXPNVRC-GOSISDBHSA-N 451.575 2.315 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC(NC(=O)Nc2ccccc2)CC1 1286789506 SXQBMXTVYDPQMD-UHFFFAOYSA-N 474.569 2.357 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1286816202 CQNNEXWZJHBDJH-RTBURBONSA-N 496.655 2.259 30 10 JEEE CCc1nn(C)c(CC)c1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1292759138 AAJKIYJLKNWESI-SFHVURJKSA-N 467.599 2.347 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H](c1ccc(C)o1)N1CCOCC1 1300329723 RYJLPKKOHPHFNZ-XBZUYWNMSA-N 457.575 2.435 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCC[C@H](O)C2)c1 1300331925 UQENUTFGYLKIIU-FPOVZHCZSA-N 464.570 2.121 30 10 JEEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1300345441 WXBPCRLQBMWQEB-UXHICEINSA-N 455.584 2.400 30 10 JEEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(OC)c(OC)c1Cl 1300464684 HLJWLDIERKKSBY-OAHLLOKOSA-N 452.964 2.163 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1nc(C(C)(C)C)cs1)[C@@H]1CCS(=O)(=O)C1 1300495023 BNLHHBROGTZZJX-HZPDHXFCSA-N 463.629 2.211 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCc1c[nH]nc1C 1300574635 DUKOPTSYQNSRMG-UHFFFAOYSA-N 464.599 2.365 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCCN2CCN(CC)CC2)CC1 1300701166 IXMLQGQUTXTSLF-UHFFFAOYSA-N 470.065 2.305 30 10 JEEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cc(F)cc(F)c2)CC1 1301017821 OFWKTYIXDVNSKR-ZDUSSCGKSA-N 460.938 2.246 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC([C@H]2CCOC2)CC1 1301152530 ZNHVOAJLHDHORW-PMACEKPBSA-N 481.663 2.466 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(O)(Cc2ccccc2F)CC1 1301500987 RZSNZVMJFSKSTE-LJQANCHMSA-N 457.550 2.187 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1301585868 CNWXHPCWDCJEBB-LJQANCHMSA-N 463.579 2.104 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCCN(C(=O)c2cccc(C)c2)CC1 1301588969 MZMYMUBRHPTLAN-NRFANRHFSA-N 487.626 2.044 30 10 JEEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2nc(C)cc(OCC)n2)CC1 1301596526 RBCDAATVLRMUMV-UHFFFAOYSA-N 486.646 2.257 30 10 JEEE CC(C)CCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(N(C)C)CCOCC1 1303066279 AGCGTDYUQPNBNB-LJQANCHMSA-N 466.652 2.057 30 10 JEEE N#C[C@@H]1CSCCN1C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 1357871152 BAQYFOPSZCZAFG-UKRRQHHQSA-N 458.403 2.317 30 10 JEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 1358913402 NIPHFGZIPGJMJH-IBGZPJMESA-N 490.029 2.486 30 10 JEEE C#CCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC[C@H](C(=O)OC)C1 1358932915 BLOTUCUTYNQLJI-QFIPXVFZSA-N 464.614 2.446 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccccc1OCCN(C)C)[C@@H]1CCS(=O)(=O)C1 1358955060 CWMPKXBFAOZOEU-HXUWFJFHSA-N 473.643 2.191 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1cc(C(C)(C)C)no1)[C@H]1CCS(=O)(=O)C1 1358965707 ZQMZNPVRMQEXQM-SFHVURJKSA-N 468.583 2.224 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1CCN(C2CC2)CC1 1359020276 XITBQUOAPSFDIV-UHFFFAOYSA-N 471.627 2.309 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2F)n1CCN/C(O)=C1/N=CC=CC1=O 1359021075 ATDDJJQWHFWURT-VZCXRCSSSA-N 472.908 2.350 30 10 JEEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1359054633 BNCXHRINFGYICI-HDICACEKSA-N 457.604 2.348 30 10 JEEE C=CC1CCN(c2nnc(C(=O)N3CCCC3)n2CCNS(=O)(=O)c2ccc(C)s2)CC1 1359172568 ZKQKDEJLXUEOCU-UHFFFAOYSA-N 478.644 2.265 30 10 JEEE C=CCN(CCc1ccco1)c1nnc(C(=O)N2CCCC2)n1CCN1CCOCC1(C)C 1359275965 MIFCXPWVWCJMNF-UHFFFAOYSA-N 456.591 2.453 30 10 JEEE C=CCNC(=O)Cn1c(N2CC[C@@H](c3ccc(OC)cc3)C2)nnc1[C@]1(OCC)CCOC1 1359305933 QXUKMKBKIWMQHM-DVECYGJZSA-N 455.559 2.235 30 10 JEEE C=CCOc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@H](C)C2)cc1 1359308760 XZHCWLGKYPHVKV-GHTZIAJQSA-N 475.615 2.460 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F 1359330281 MYIBYJKCONUONC-UHFFFAOYSA-N 469.493 2.330 30 10 JEEE CC(C)C(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2COCCO2)C1 1359627202 DXSSWXLIKOUOBH-PZJWPPBQSA-N 452.559 2.221 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1C[C@]1(O)CCO[C@H]1C 1497036530 CSYSTMKWFMZKIL-SSOJOUAXSA-N 499.591 2.074 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CC[C@@]2(CCOC2)O1 1507539243 SVUFAHPDIUHLFH-YDLHNXBPSA-N 475.590 2.383 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2C[C@]2(O)CCSC2)c1 1507550796 PJPMIKCNDVMRFF-WZONZLPQSA-N 455.584 2.096 30 10 JEEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCCC=C)[C@@H]1CCS(=O)(=O)C1 1507627894 UIWREIQJJZJGEN-LJQANCHMSA-N 476.624 2.332 30 10 JEEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@@H](C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1507632936 QVZUIPCVFMJCKL-NRSPTQNISA-N 490.651 2.001 30 10 JEEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cccn(CC)c1=O 1507691340 GBURTOMWYXJDCO-LJQANCHMSA-N 470.574 2.276 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC[C@@H]2CCOC2)CC1 1507732751 KKSPGRCECJQXAT-AQNXPRMDSA-N 458.607 2.231 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@](C)(O)c2ccc(F)cc2)CC1 1507740907 QRSTYZODAPWYTA-AREMUKBSSA-N 493.587 2.152 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCNC(=O)C(C)C)CC1 1507742120 AZMBIQWAOAOVKB-UHFFFAOYSA-N 471.005 2.260 30 10 JEEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1507754601 XYHKKMMXNQYCSI-UHFFFAOYSA-N 467.574 2.498 30 10 JEEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2nc3cc(C)ccc3o2)CC1 1507823904 LKJRYNAMMRJJMJ-INIZCTEOSA-N 459.576 2.241 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCC(=O)Nc1ccccc1 1509683046 HOVXOQGQRUBENN-UHFFFAOYSA-N 487.568 2.038 30 10 JEEE CC(C)OCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC2(O)CCOCC2)CC1 1509877196 FOFHQXPYRCPRHN-UHFFFAOYSA-N 468.602 2.295 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1CCN(C)C(=O)OC(C)(C)C 1510153305 DGNGCAVICGTGLI-MRXNPFEDSA-N 491.618 2.263 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H](C)CN1CCN(CC)CC1 1538982862 KHZJLJXWYUXLIF-PMACEKPBSA-N 472.659 2.080 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C(=O)N2CCCCC2)cc1 1539015713 QZZUZBNVUADTHG-WIYYLYMNSA-N 469.611 2.313 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H](C)Cc1cccs1)[C@H]1CCS(=O)(=O)C1 1539216329 QIKHQVDYPFQUPA-WMZOPIPTSA-N 458.613 2.246 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CC1=CCCOC1)[C@@H]1CCS(=O)(=O)C1 1539218780 CXFWZZBMPPIRRH-QGZVFWFLSA-N 462.522 2.121 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1539365623 ONMZEPKJKLQLKP-ZBKJMMEJSA-N 497.600 2.379 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccccc2OC)n1C[C@]1(N2CCOCC2)CCSC1 1539408023 XZQMKNRRVFKIJV-XMMPIXPASA-N 471.627 2.248 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@](C)(O)c2ccc(F)cc2)CC1 1539430327 ILYKGZAZKNVEES-RPBOFIJWSA-N 471.577 2.121 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(C)c(OC)c2)CC1 1539488132 IFCCXNZRENBKPK-UHFFFAOYSA-N 475.597 2.471 30 10 JEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](c2cccc(F)c2)C1 1539497964 PFKJPJHKFPUAFO-NVXWUHKLSA-N 451.593 2.388 30 10 JEEE C=CCC(C)(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(S(C)(=O)=O)CC1 1539917290 AUFQOINJXOJCQX-UHFFFAOYSA-N 499.641 2.359 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CN2CCCC2=O)n1CCC1(O)CCOCC1 1540127011 AUVSFWVEBWMGBW-UHFFFAOYSA-N 464.570 2.396 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1540866911 FIWRZDKPKDHAMQ-KRWDZBQOSA-N 489.418 2.311 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1540899890 DGSYLHYDTDXUOO-QAPCUYQASA-N 494.017 2.170 30 10 JEEE CCCOc1ccc(-c2nnc(N(C)[C@H](C)CC#N)n2C[C@@]2(O)CCS(=O)(=O)C2)cc1OC 1547260872 GHWFIJHLNIFXKU-ZHRRBRCNSA-N 477.587 2.030 30 10 JEEE CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CC[C@](C)(O)c1ccccc1 1548169267 DWBYIGVWKUGCNP-VWLOTQADSA-N 478.601 2.353 30 10 JEEE COCC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(Cc2cc(C)no2)CC1 1555418691 DBIBFJFNCVHAOV-DEOSSOPVSA-N 465.558 2.223 30 10 JEEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1587701424 BMRBODNFEMYCPD-OAQYLSRUSA-N 492.628 2.252 30 10 JEEE C#CCCCn1c(COc2ccccc2OCC)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1587888895 OXIOOJRMQLICQI-JOCHJYFZSA-N 480.569 2.436 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1Cc1ccnc(OC2CCOCC2)c1)[C@H]1CCS(=O)(=O)C1 1588030211 QVBPFBAUISYMBT-QUCCMNQESA-N 487.626 2.419 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@H](C)c1nc(C)cs1)[C@H]1CCS(=O)(=O)C1 1588065144 VKLPVGOKHLJYOL-LPHOPBHVSA-N 470.624 2.459 30 10 JEEE C#CCSCCn1c(-c2cccnc2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1589047587 BNBAAMIEQRIXFG-UGKGYDQZSA-N 467.643 2.085 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](CC(C)C)NC(=O)OCC 1589215818 DYAKKSWFICVIIR-JBYIUTFZSA-N 465.620 2.333 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1595500667 AZEWEJBHOBGPKO-UHFFFAOYSA-N 453.591 2.440 30 10 JEEE CC(=O)N1CCN(CCn2c(COc3ccc(Cl)cc3)nnc2N2CCC(C#N)CC2)CC1 1596296556 HVDOARZSYUHDMH-UHFFFAOYSA-N 471.993 2.415 30 10 JEEE C=C(C)C[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1)C(=O)OCC 1598350188 HXHUHTULUUAFKQ-MAUKXSAKSA-N 453.517 2.010 30 10 JEEE CC(C)N(CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1)C(C)C 1608033044 HPHSVCCEZMBDCL-IBGZPJMESA-N 473.647 2.406 30 10 JEEE CC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2([S@@](C)=O)CC2)CCN1CCOC 1614222423 BIQQCTZUTJBASB-MQFAKOPTSA-N 456.616 2.275 30 10 JEEE C[C@]12CC[C@@H]3[C@H](CCC4=C/C(=N\OCC(=O)N[C@@H](CC(N)=O)C(=O)O)CC[C@@]43C)[C@H]1CC[C@@H]2O 1614469892 PZKVVXINSMMEGU-LYDYNQMWSA-N 475.586 2.128 30 10 JEEE CCS(=O)(=O)NCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@](F)(C#N)C1 1617383247 GADYNAORYORUMP-UTKZUKDTSA-N 464.567 2.416 30 10 JEEE CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cc1 1624812876 ANHAIPMBGNODKU-QILLFSRXSA-N 450.561 2.252 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H](C)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1689981954 DXMQBZWNFQTUMJ-RXVVDRJESA-N 454.600 2.174 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](CC)N1CCc2ccccc2C1 1690020062 XXGPJXCFKIRLQE-XZOQPEGZSA-N 465.623 2.090 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(Cl)c2c(c1)OCCO2 1690046337 AZVLCMPUOLSHLF-KRWDZBQOSA-N 474.970 2.116 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CC[C@@H](F)C2)CC1 1690136632 HVLFJRLTFOZQEH-FUHWJXTLSA-N 453.522 2.029 30 10 JEEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(N2CCCCC2=O)CC1 1690183192 PIVAGTASHRAZRX-UHFFFAOYSA-N 455.632 2.487 30 10 JEEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1690235195 ZFSJHAKORYDWOQ-DRMAHVMPSA-N 457.369 2.295 30 10 JEEE C=C(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1690277290 MTCZXQKNJMKHSA-INIZCTEOSA-N 479.603 2.313 30 10 JEEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1690518301 DJPCTKSLJWLUFV-OALUTQOASA-N 487.605 2.317 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCN(c2ccc(F)cn2)CC1 1690666941 LQVAMXAUOUZUKN-UHFFFAOYSA-N 451.506 2.117 30 10 JEEE CCCNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1695428863 ARHLVFYUFXXABV-UHFFFAOYSA-N 499.579 2.238 30 10 JEEE CCOC1CC(O)(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(CNC(C)=O)CC2)C1 1696205625 CHPQOZJKKAGZEH-UHFFFAOYSA-N 482.585 2.011 30 10 JEEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC[C@@H](F)C1 1696689058 DMIUXNMFCDULJA-AQNXPRMDSA-N 476.578 2.257 30 10 JEEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ccc(OC)nc1OC 1705612752 OJGOSAHANVVIJC-UHFFFAOYSA-N 462.558 2.372 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCOc2ncccc2Cl)CC1 1705781638 FFHWQOLIUAFGMW-GOSISDBHSA-N 497.021 2.141 30 10 JEEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)Cc2cccc(OC)c2)CC1 1705822042 QNWJAZNHRAFELC-UHFFFAOYSA-N 466.586 2.267 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@]1(O)CCO[C@H]1C 1705886100 SCHYAAYMLVLVIU-VOLVWJTLSA-N 465.595 2.228 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1705897647 QUKDYSGJFOOGSB-CABCVRRESA-N 498.481 2.364 30 10 JEEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC(C#N)CC1 1705902420 DPSYZPCLIXWASD-UHFFFAOYSA-N 457.579 2.435 30 10 JEEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCc2c(F)cc(F)cc2C1 1705907240 FJYJCVQORFJXKF-UHFFFAOYSA-N 472.521 2.413 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CC[C@H](OC)C1 1705934191 DNNIGFQYKSIECD-KRWDZBQOSA-N 486.598 2.062 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1705937629 ZMNNBVXHSZKGOB-HXUWFJFHSA-N 462.620 2.406 30 10 JEEE COC[C@H](Cn1c(-c2cccc(OC)c2)nnc1N1CCN(c2cc(C#N)ccn2)CC1)OC 1712149721 DIOABUBWDSXEPV-NRFANRHFSA-N 463.542 2.208 30 10 JEEE C#CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](C(=O)NC)C1 1722317729 WQFZFZQUJSGNIK-OALUTQOASA-N 474.606 2.352 30 10 JEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1722326364 SLEXTIYHXXVEGH-IBGZPJMESA-N 495.609 2.160 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCc1cc(C)ccc1OC)[C@H]1CCS(=O)(=O)C1 1722362998 YDCYYJJWRRZVOL-IBGZPJMESA-N 453.568 2.460 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC1(CCOC)CCC1)[C@H]1CCS(=O)(=O)C1 1722366975 JYUULUHVBKSKFW-MOPGFXCFSA-N 450.605 2.006 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1CCCN(C(C)=O)C1 1722370829 PGQSWPSDYRYDLM-FQEVSTJZSA-N 466.973 2.193 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCCn1ccnc1C 1722392676 KAQYGFYSNGNQPF-UHFFFAOYSA-N 454.542 2.369 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(CCc2ccccc2)n1CCS(=O)(=O)N1CCSCC1 1722474021 GWXZYNUXFUUEGN-HSZRJFAPSA-N 473.668 2.434 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(N(C)C(=O)OCC)CC1 1722493820 KDAKEMBYURQAMK-MJGOQNOKSA-N 462.595 2.455 30 10 JEEE C=C(Cl)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1722545907 QFDPKGIGIXORQW-UHFFFAOYSA-N 468.905 2.426 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC(N(C)C(C)=O)CC1 1722693079 CQXLKAHNFMVIFA-UHFFFAOYSA-N 462.558 2.085 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](c2ccc(CC)cc2)C1 1722728151 QTNNBLDCKPFYSD-NRFANRHFSA-N 470.599 2.420 30 10 JEEE CC(C)NC(=O)CN(C)c1nnc(COc2ccc(C#N)cc2)n1CCn1cc(Cl)cn1 1723642451 GJFNOBIQCKWMOB-UHFFFAOYSA-N 456.938 2.240 30 10 JEEE CCNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCSC2)CC1 1728676209 BDSSJKAMOIJKLS-SFHVURJKSA-N 455.588 2.333 30 10 JEEE C#CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@H](CC(N)=O)C1 1740576150 SDHKSVMDSORETC-LJQANCHMSA-N 450.591 2.347 30 10 JEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C2CC2)C1 1740581047 OCHBVGGDAMIUPH-BPQIPLTHSA-N 480.635 2.041 30 10 JEEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1740661859 LAHHJMVHNNSRMV-MGPUTAFESA-N 452.964 2.081 30 10 JEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(O)(Cc2ccc(F)cc2)CC1 1740716576 UOCSAVZNYVZTJP-LJQANCHMSA-N 457.575 2.309 30 10 JEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(OC(C)(C)C)CC1 1748718807 SPSITASJMODFJP-LJQANCHMSA-N 467.636 2.198 30 10 JEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2c(C#N)cnc3ccccc23)CC1 1748731421 CKOAOHMSPQNREZ-SFHVURJKSA-N 492.609 2.048 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1csc([C@H](C)OC)n1)[C@@H]1CCS(=O)(=O)C1 1748818540 CGDJICYBMQYFQT-QFBILLFUSA-N 486.623 2.103 30 10 JEEE C#CCN(c1nnc(COc2ccccc2CC)n1CC[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1748824238 LZLGAOZDUZLUMO-PZJWPPBQSA-N 472.611 2.473 30 10 JEEE C#CCN(c1nnc(COCC)n1Cc1ccc(C(=O)N2CCCCC2)cc1)[C@@H]1CCS(=O)(=O)C1 1748824748 SMHVGKNRVCNCQR-JOCHJYFZSA-N 499.637 2.116 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2cccc(C(=O)N[C@@H](C)CC)c2)CC1 1749010605 TZVFQTCKPVBALY-CVDCTZTESA-N 492.624 2.324 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCOc2ccc(F)c(Cl)c2)CC1 1749010631 UEGQCSYDCAMTSL-LJQANCHMSA-N 488.951 2.067 30 10 JEEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1749026841 REEGUGMWCMRPII-KRWDZBQOSA-N 460.991 2.188 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1749175237 AMMUZMRIPZEFTB-UHFFFAOYSA-N 488.658 2.305 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](CN2CCCCC2)C1 1749230284 WKPRVZIIRPWWCS-PMACEKPBSA-N 451.637 2.085 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cnn(CC)c1 1749369183 XSMUCGBMMQZPJR-SFHVURJKSA-N 465.624 2.066 30 10 JEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1749629845 ISBSUJGNCPISRL-OTWHNJEPSA-N 492.621 2.140 30 10 JEEE C[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCN(c2cc(C#N)ccn2)CC1)N1CCOCC1 1751145880 CADANVRRJBJUOJ-IBGZPJMESA-N 452.607 2.181 30 10 JEEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)C(C)(C)C)C[C@]2(CCOC2)O1 1752311767 FYDGULONAWHDJV-XDHUDOTRSA-N 452.559 2.363 30 10 JEEE C[C@H]1CN(Cc2cccc(Cn3c(CN4CCCC4=O)nnc3N(C)[C@@H](C)CC#N)c2)CCO1 1752396291 BFMQVOCVKRAFSN-PMACEKPBSA-N 465.602 2.408 30 10 JEEE C#CCN(c1nnc(-c2ccc(Br)s2)n1C[C@H](F)COC)[C@H]1CCS(=O)(=O)C1 1760182887 KUNKACBSRYSJBC-STQMWFEESA-N 491.408 2.380 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1ccc(OCC=C)cc1)[C@@H]1CCS(=O)(=O)C1 1760188837 QKOQFJGCUNJCKD-LEWJYISDSA-N 470.595 2.412 30 10 JEEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1760287423 RPVDLRAXTQUUDR-IKGGRYGDSA-N 461.554 2.441 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(C2CCCC2)CC1 1760315205 BHUXWDBHCRSORC-DYXWJJEUSA-N 480.679 2.324 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1760328640 YXEAGCVZGDSNAI-ADAARDCZSA-N 461.607 2.478 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(C)CN(C)C1=O 1760336506 AJZCBWXJMWDNFM-UZUQRXQVSA-N 462.595 2.467 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1nc(O)c2ccccc2n1 1760357118 DZQIKHZDELAEMC-INIZCTEOSA-N 472.571 2.058 30 10 JEEE C=CC1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@]2(O)CCOC2)CC1 1760402595 OARXMYWTTWPCRH-JPYJTQIMSA-N 463.579 2.140 30 10 JEEE C=CCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1760407392 BYGQPHKMERSPJA-UHFFFAOYSA-N 495.675 2.294 30 10 JEEE C=CCCCCn1c(-c2ccccc2Br)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1760424393 FOTYVKUYIXAIQC-HNNXBMFYSA-N 473.375 2.211 30 10 JEEE C=CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)CC(=O)N1CCOCC1 1760426598 YGBGORGAQINVFD-UHFFFAOYSA-N 479.585 2.326 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1760550876 MHTIDWRAOCLWDC-HNNXBMFYSA-N 467.979 2.476 30 10 JEEE C=CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@](C)(C(N)=O)C1 1760560236 ZKWFTBCRYYJHEL-NRFANRHFSA-N 463.007 2.482 30 10 JEEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(CNC(=O)c2cccs2)n1CC(F)(F)F 1763043220 ARTAXRRTWUZVIY-CYBMUJFWSA-N 491.503 2.209 30 10 JEEE CC[C@H](C)N(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1763911695 CJNKKRLLUFJYOZ-GHTZIAJQSA-N 474.631 2.472 30 10 JEEE CCN1CCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1765435709 ACZGHVGNRDAAPW-CTNGQTDRSA-N 471.631 2.067 30 10 JEEE CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCN2CCCO)C[C@H]1C 1765538020 HDNNFQMZUGSFBT-IRLDBZIGSA-N 467.618 2.106 30 10 JEEE CCCNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1766219555 BTXKTOMXXPUQDW-UHFFFAOYSA-N 489.584 2.167 30 10 JEEE CN(CCN1CCOCC1)c1nnc(COc2ccc(C#N)cc2)n1CC[S@](=O)C(C)(C)C 1768940705 FZPDYXYFEPSEHT-XIFFEERXSA-N 474.631 2.044 30 10 JEEE N#Cc1cccc(C(=O)NCc2ccc(S(=O)(=O)NC(=O)NCc3ccc4c(c3)OCO4)cc2)c1 1858651550 XVMNZHJWVFCUDZ-UHFFFAOYSA-N 492.513 2.405 30 10 JEEE C=CCNC(=O)[C@H]1C[C@@H](O)CN1C(=O)c1ccc2nc(-c3cc(OC)ccc3OC)[nH]c2c1 1861421228 ZXIQCAMQUXDDGC-FOIQADDNSA-N 450.495 2.125 30 10 JEEE C=CCn1cc(OCC(=O)Nc2nccs2)c(=O)cc1CN1CCN(c2ccccn2)CC1 1870502204 FIABZHCBFSYFGB-UHFFFAOYSA-N 466.567 2.226 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)N(C)C[C@@H]2CCCO2)cn1CCCOCC 1870549791 HZJJUWHRVYCAHI-QFIPXVFZSA-N 461.603 2.465 30 10 JEEE C=CCn1c(C(=O)N2CC(O)C2)cc2c(N3CCN(c4cccc(Cl)c4)CC3)ncnc21 1873560748 LKXRBLWAIUUDLY-UHFFFAOYSA-N 452.946 2.414 30 10 JEEE COCCN1CC(=O)C(c2nc(C)cs2)=C1NC(=O)[C@@H]1CC(=O)N([C@H](C)c2ccccc2)C1 1873710504 HRNCVNGVSMPGEK-SJLPKXTDSA-N 468.579 2.377 30 10 JEEE CC(=O)NCc1nnc(SCC(=O)Nc2ccc(F)cc2)n1/N=C/c1ccc(O)cc1O 1874431645 UFBFNGRQOIMISJ-NUGSKGIGSA-N 458.475 2.078 30 10 JEEE CN1CCN(CC#CCOC2CCN(C(=O)c3cc(F)ccc3Br)CC2)CC1 1890042181 RRASMTLRFMRPCQ-UHFFFAOYSA-N 452.368 2.460 30 10 JEEE CC1(C)OB(c2c[nH]nc2C(=O)N2CCC(NC(=O)OCc3ccccc3)CC2)OC1(C)C 2247839896 DUGPZURIWLOWJS-UHFFFAOYSA-N 454.336 2.240 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]1NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2247950264 DHJRVVHQJHHGQB-JSGCOSHPSA-N 458.411 2.239 30 10 JEEE CC(C)(C)OC(=O)N1CC([S@@](C)(=O)=NC(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)C1 2255543506 JZYWUXZIBOVIHT-WJOKGBTCSA-N 454.354 2.436 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2255753153 PRQWMXDGRNQCSM-INIZCTEOSA-N 452.382 2.274 30 10 JEEE C[C@H](NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1)[C@@H](C)NC(=O)OC(C)(C)C 2255802961 HVGHRLFYCINFHC-OLZOCXBDSA-N 475.442 2.163 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccsc2B2OC(C)(C)C(C)(C)O2)C[C@H](O)C1 2255809054 RROBTBLRGPIBEP-AWEZNQCLSA-N 452.382 2.101 30 10 JEEE Cc1c(C(=O)NC2CC(NC(=O)OCc3ccccc3)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2255832252 JLUADAFEQYTRHX-UHFFFAOYSA-N 468.363 2.215 30 10 JEEE Cc1c(B2OC(C)(C)C(C)(C)O2)csc1C(=O)NCCC1(O)CN(C(=O)OC(C)(C)C)C1 2267576222 MFHRXYUGQOTVNO-UHFFFAOYSA-N 466.409 2.457 30 10 JEEE Cc1c(B2OC(C)(C)C(C)(C)O2)csc1C(=O)N1C[C@@H](O)C[C@@H]1CNC(=O)OC(C)(C)C 2267584525 HTGPTCYHRHNLEK-CABCVRRESA-N 466.409 2.456 30 10 JEEE CN([C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2267704099 HZXBMWAFTWGUSO-SFHVURJKSA-N 477.461 2.478 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1[C@H](C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)C1(F)F 2268720274 SBPMADSZVMUJNJ-CHWSQXEVSA-N 473.351 2.465 30 10 JEEE C[C@H](c1nscc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)[C@H](O)CCNC(=O)OC(C)(C)C 2268789775 DGDWNJPWBRMDGE-UKRRQHHQSA-N 469.413 2.237 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)c(F)c2)C[C@@H](O)C1 2281763001 QWYNMHZQOMBZSS-MRXNPFEDSA-N 464.343 2.179 30 10 JEEE CC1(C)OB(c2csnc2C(=O)N2CC[C@@](CNC(=O)C(F)(F)F)(C3CC3)C2)OC1(C)C 2282521546 YJCZZQHNOIDVOZ-IBGZPJMESA-N 473.326 2.363 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H](NC(=O)OC(C)(C)C)C2(CCC2)C1 2282536128 YIXYQTZVADYUGJ-MRXNPFEDSA-N 460.384 2.239 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2CCN(C(=O)OC(C)(C)C)C2(C)C)n1 2282551412 JJKUCHVQBDGVJO-HNNXBMFYSA-N 462.400 2.485 30 10 JEEE CC(C)[C@@H]1[C@H](NC(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2282583427 JPJZZNQOBQKXNB-IAGOWNOFSA-N 462.400 2.483 30 10 JEEE Cn1nc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC23CCC3)cc1B1OC(C)(C)C(C)(C)O1 2282611621 NNRYOBGHDNSTQK-UHFFFAOYSA-N 460.384 2.335 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(B3OC(C)(C)C(C)(C)O3)c[nH]1)CCO2 2282646802 SUGVZWKZTUJYRI-HSZRJFAPSA-N 461.368 2.166 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2282664688 GRUSKWNMIVUXFC-RBUKOAKNSA-N 458.364 2.446 30 10 JEEE CN(C[C@@H]1CCN(S(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1)C(=O)OC(C)(C)C 2282829910 MHKOLJOVTODCBO-INIZCTEOSA-N 481.424 2.258 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1 2282873974 SZFBWASWZRGNDX-WKILWMFISA-N 482.408 2.328 30 10 JEEE CN(CCOCCNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1O)C(=O)OC(C)(C)C 2282882590 OBOUJYPOAUSRON-UHFFFAOYSA-N 464.368 2.305 30 10 JEEE C[C@H](c1cc(B2OC(C)(C)C(C)(C)O2)cs1)N(C)C(=O)CNC(=O)CNC(=O)OC(C)(C)C 2283952542 JUBDKZKUCUGYLA-CQSZACIVSA-N 481.424 2.208 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1CCc2c(B3OC(C)(C)C(C)(C)O3)cccc21 2283961155 BTJKBRPDQQATBE-HNAYVOBHSA-N 458.364 2.245 30 10 JEEE CO[C@@]1(C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)CCCN(C(=O)OC(C)(C)C)C1 2284058912 PKLUXUMUAYVNOQ-QFIPXVFZSA-N 481.424 2.475 30 10 JEEE CC1(C)OB(c2cccc(S(=O)(=O)N3CCC[C@@H](NC(=O)C(F)(F)F)CC3)c2)OC1(C)C 2286110594 AJJHEWCNOMKDIP-OAHLLOKOSA-N 476.326 2.208 30 10 JEEE Cc1c(C(O)=C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccncc2)cnn1-c1ccccc1 2297053630 KOYQMBJSYIEBOO-HSZRJFAPSA-N 473.533 2.330 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O 2310243710 GPNPTTSCJLEKFT-IKGGRYGDSA-N 454.568 2.308 30 10 JEEE COc1cc(C=NNc2cnn([C@@H]3CCS(=O)(=O)C3)c(=O)c2Cl)cc(Br)c1O 2322615628 GRLNCZAVEGRJOY-SNVBAGLBSA-N 491.751 2.179 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1[C@H]2C[C@@H](CN(C(=O)[C@@H]3C[C@@H]3B3OC(C)(C)C(C)(C)O3)C2)[C@@H]1CO 2334262802 PNSBXJIUVZODAZ-PCCRXHMLSA-N 450.385 2.449 30 10 JEEE CCn1cc(C(=O)NC[C@@H]2[C@@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)nc1B1OC(C)(C)C(C)(C)O1 2359277759 QXCRKORFDOSJQI-BFYDXBDKSA-N 460.384 2.187 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1[C@H]2CC[C@H]1CN(C(=O)OC(C)(C)C)C2 2362351905 LLVWFBDCWAJUDU-GJZGRUSLSA-N 460.384 2.095 30 10 JEEE COc1ccc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)C2COC2)cc1B1OC(C)(C)C(C)(C)O1 2365287821 FMNVIKYBPUZRDM-SFHVURJKSA-N 462.352 2.473 30 10 JEEE Cc1cc(CNC(=O)[C@@H]2COC[C@@H]2NC(=O)OC(C)(C)C)cc(B2OC(C)(C)C(C)(C)O2)c1 2369675217 DRWSJULKRODXFF-MOPGFXCFSA-N 460.380 2.450 30 10 JEEE O=[N+]([O-])c1cccc(-c2ccc(C=NNc3nc(N4CCOCC4)nc(N4CCOCC4)n3)o2)c1 252596021 CFOQJUMTPDYPJM-UHFFFAOYSA-N 480.485 2.159 30 10 JEEE Cc1ccc(S(=O)(=O)N[C@H](C(=O)O[C@H](C)C(=O)N(CCC#N)c2ccccc2)[C@@H](C)O)cc1C 777300171 LLZJRINUUKALNR-KNKQGSTJSA-N 487.578 2.210 30 10 JEEE CC(C)n1cc(C=NNc2nnc(SCC(=O)Nc3cccc(N4CCCC4=O)c3)n2N)cn1 1084495591 IJPMABSXNGRKNB-UHFFFAOYSA-N 482.574 2.073 30 10 JEEE C#CC[C@@H](NC(=O)c1cn(C)nc1[C@@H]1CCCN(C(=O)OCc2ccccc2)C1)C(=O)OC 1161364400 CFMBNCZTLVPGIM-UYAOXDASSA-N 452.511 2.231 30 10 JEEE N#Cc1cc(F)c(S(=O)(=O)N2CCN(C(=O)c3ccccn3)CC2)cc1Br 1208547380 FRXXJHPDCZLMNU-UHFFFAOYSA-N 453.293 2.002 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C(C)C)N1CCOCC1 1286446038 CKRYIJCRHAKQGY-SFTDATJTSA-N 490.649 2.403 30 10 JEEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2CCNC(=O)c2cc[nH]n2)CC1 1286484507 LOXLFFLTMFQQDK-UHFFFAOYSA-N 490.612 2.197 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(Cl)nc2)CC1 1286493782 XDNZTIRMYREHON-UHFFFAOYSA-N 498.012 2.332 30 10 JEEE C#CCSCCn1c(-c2ccccc2OC)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1286503878 KJVLMGTYULFIHP-UHFFFAOYSA-N 469.611 2.395 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1286568738 XYWPQGMJEGLDCO-WFXMLNOXSA-N 457.579 2.193 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](c2cccc(Br)c2)C1 1286787898 LLCKGHVQIUAZPO-SJLPKXTDSA-N 476.375 2.425 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@](C)(O)C2CCCCC2)C1 1286810339 PRODZCASFOKUFB-SFGWALBWSA-N 452.621 2.293 30 10 JEEE C[C@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1Cc1cccc(NC(=O)[C@H]2CCCO2)c1 1286968990 CSOVCYNUIQXIKW-YLJYHZDGSA-N 465.558 2.162 30 10 JEEE C[C@@H]1C[C@@H](C)CN(CCCn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@H](C#N)C2)C1 1291011043 DVPWOUPYDLIYBR-GUDVDZBRSA-N 452.563 2.022 30 10 JEEE CC[C@@H](C)NC(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1291816128 CHHPDDLXCHTTSN-MSOLQXFVSA-N 469.565 2.424 30 10 JEEE CCN1CCN([C@H](C)Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCO[C@H](C#N)C2)CC1 1296123568 BHPSKVVOXIBLAP-SJLPKXTDSA-N 461.973 2.492 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@@]1(O)CCS(=O)(=O)C1 1300284363 ZFQUWIVKKUXZBX-HXOBKFHXSA-N 470.551 2.125 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCSC2)c1 1300334435 LYFRCKFXAYNEPI-RBUKOAKNSA-N 487.651 2.380 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1300578632 NQPNECNLYZTTAC-WOVHNISZSA-N 499.612 2.388 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1coc(-c2ccc(C)cc2)n1 1300672322 YNOZWRIKHOGKKF-FQEVSTJZSA-N 483.594 2.472 30 10 JEEE C#CCSCCn1c(-c2ccccc2OC)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1300754223 MCYKWYLBGAAGOR-DENIHFKCSA-N 482.654 2.309 30 10 JEEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2ccccn2)CC1 1300769705 JCDQCLAALXNPCD-UHFFFAOYSA-N 467.624 2.358 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1300844475 OPCIVRTYFKAIOY-CVEARBPZSA-N 478.395 2.478 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@@]2(OCC)CCOC2)n1CC(=O)N1CCOCC1 1301349393 KRLOVOWSFQXHRS-XMMPIXPASA-N 473.549 2.121 30 10 JEEE Cc1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCCC[C@@H](S(C)(=O)=O)C2)n(C)n1 1304729688 FNZXOYSKJWYGKU-OAQYLSRUSA-N 483.598 2.223 30 10 JEEE CCCS(=O)(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cnn(CC)c2)CC1 1313533661 HWJKSCBRLKHCDI-UHFFFAOYSA-N 482.614 2.380 30 10 JEEE C#CCN(c1nnc(-c2cccc3cccnc23)n1CCSCCCO)[C@@H]1CCS(=O)(=O)C1 1358960069 WFCCMEWGYOEGMA-LJQANCHMSA-N 485.635 2.236 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1Cc1cc(Br)cs1)[C@H]1CCS(=O)(=O)C1 1358961410 YJCWONAUNYRZMF-AWEZNQCLSA-N 493.412 2.234 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1Cc1ccccc1-n1cccn1)[C@@H]1CCS(=O)(=O)C1 1358963605 KWMLLTFLWYDCBK-HXUWFJFHSA-N 452.584 2.337 30 10 JEEE C=C(Cl)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)CCCS(C)(=O)=O 1359150576 BHOFUBZGEHGOKH-UHFFFAOYSA-N 454.000 2.076 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2C[C@H](C)O[C@H](C)C2)CC1 1359179422 VCEKIPGLZJVMHK-HNJRGHQBSA-N 467.636 2.217 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@@H](C)C1 1359330925 HECXBAYXMNZXEU-MRXNPFEDSA-N 456.572 2.122 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@@H](c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCS(C)(=O)=O)C1 1359555735 BCIXBSYGTPGZOA-IIBYNOLFSA-N 484.598 2.269 30 10 JEEE C=CCN1CCC(NC(=O)c2ccccc2NS(=O)(=O)c2ccc3nc(O)[nH]c3c2)CC1 1443527993 CYJKYCVWYWMQAE-UHFFFAOYSA-N 455.540 2.450 30 10 JEEE C[C@H](CC(=O)NC1CCN([C@H](C)c2ccncc2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1466252925 FLNSEIJBMJNOQV-IAGOWNOFSA-N 455.584 2.241 30 10 JEEE C#Cc1cccc(CNC(=O)N2CC[C@@H](N3C(=O)O[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]43)C2)c1 1478816109 QMMNIESHWONUFU-AQNXPRMDSA-N 454.527 2.392 30 10 JEEE CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCO2)CC1 1496306873 IFTMAKRKBGTHJK-WIYYLYMNSA-N 451.575 2.032 30 10 JEEE CN(CCCn1c(-c2cccc(C#N)c2)nnc1N1CCc2nn(C)c(=O)cc2C1)CC(F)(F)F 1503593992 DCUNCYIGZYRFRI-UHFFFAOYSA-N 486.502 2.357 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCCn1nc(C)cc1C)[C@H]1CCS(=O)(=O)C1 1507627305 DGFHJOKDVCNRPZ-QFIPXVFZSA-N 477.594 2.347 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCc1nc(C(F)(F)F)cs1)[C@H]1CCS(=O)(=O)C1 1507631766 SZGHUOSUPDEGCV-AWEZNQCLSA-N 499.544 2.023 30 10 JEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1Cc1cnn(C)c1C)[C@@H]1CCS(=O)(=O)C1 1507632867 BAVKHYNNOWNNPB-HXUWFJFHSA-N 473.002 2.239 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CCC1CCN(CC)CC1)[C@H]1CCS(=O)(=O)C1 1507635505 SRQJGYOZCOADIJ-QFIPXVFZSA-N 470.643 2.013 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cnccc1OC 1507654300 YPCKURHSQQAMMH-LJQANCHMSA-N 466.542 2.111 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CCCN1CCN(CC)CC1 1507700273 OUWJAHWWIYIHMP-QFIPXVFZSA-N 467.593 2.036 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)c[nH]2)n1CCC(=O)N1CCOCC1 1507760684 DRGWPWXBBQLZNM-HXUWFJFHSA-N 461.364 2.277 30 10 JEEE C=C(C)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1507829237 UHNVLFXSMZURHR-UHFFFAOYSA-N 466.586 2.470 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1507914971 QTCUNVCPLBODEK-MSOLQXFVSA-N 476.651 2.386 30 10 JEEE C=CCCOCCn1c(N2CCc3nn(C)c(=O)cc3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1507966050 LYMQQNUZLPOEKM-IZAXUBKRSA-N 499.616 2.298 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1508072117 DYBVEPJSLVCDSZ-TXPKVOOTSA-N 472.977 2.431 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2cccn(CC)c2=O)C1 1508115243 DUCXUNVNTIZQAC-HXUWFJFHSA-N 483.594 2.360 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(Cl)s2)C1 1508129047 ZTQPPBDYCVGDHM-HOCLYGCPSA-N 488.035 2.156 30 10 JEEE C[C@@H](Cn1c(CCc2ccccc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C)N(C)C 1510069328 BYIKYSLBRYOCRB-VQTJNVASSA-N 459.602 2.390 30 10 JEEE CC[C@H](C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCN1CCOCC1(C)C 1513007061 CBOFRTSPDFSVDC-IBGZPJMESA-N 452.607 2.496 30 10 JEEE CCN1C[C@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CC(=O)N(CCOC)C2)C[C@H]1C 1515822045 GZPDPPAGFLLIJL-URVUXULASA-N 495.628 2.143 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CCc1cc(F)cc(F)c1)[C@H]1CCS(=O)(=O)C1 1539202419 IFMZWORTNCCSGV-FQEVSTJZSA-N 493.580 2.344 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](C)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1539213496 ZRLJRRGKYUXZHO-XLIONFOSSA-N 498.609 2.357 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(-c3ccccc3)on2)n1CC1(O)CCS(=O)(=O)CC1 1539315153 FYGRQYIHAQJFBQ-UHFFFAOYSA-N 479.562 2.003 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CCNC(=O)c1cccs1 1539390542 QRJANLZNICZVDG-SFHVURJKSA-N 466.542 2.500 30 10 JEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)c2ccsc2)CC1 1539513304 IFJCEPCQJHULDY-KRWDZBQOSA-N 458.613 2.056 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2c(F)cccc2OC)CC1 1539517626 QALCQECAXUTLDG-QGZVFWFLSA-N 493.630 2.021 30 10 JEEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1539596456 MDEFVTVQJQDDHZ-HNNXBMFYSA-N 476.441 2.331 30 10 JEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1nc(C(C)(C)C)cs1 1540072725 MUVNYTNIBLREHZ-OAHLLOKOSA-N 468.649 2.230 30 10 JEEE C=CCN(CCc1ccco1)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCS(=O)(=O)C1 1540182737 XPDYLSHZWKGBOV-KRWDZBQOSA-N 470.555 2.188 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCCN(C(=O)c2cccc(F)c2)CC1 1540873117 NEZGHOYRFHHJLN-UHFFFAOYSA-N 477.544 2.058 30 10 JEEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCc2cc(OC)c(C)cc2C1 1540874566 LEVYUTZGFGTVJF-UHFFFAOYSA-N 480.594 2.452 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1540875195 DHLAQMQQMGXJRX-XMMPIXPASA-N 486.642 2.182 30 10 JEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](Cc2ccc(C#N)cc2)C1 1540907309 RYBFTPILXHMZPQ-JOCHJYFZSA-N 496.637 2.332 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1541664545 HVKGIAWCBPOLKG-PXDATVDWSA-N 465.602 2.161 30 10 JEEE C[C@@H]1COCCN1CCn1c(N2CCN(Cc3ccc(C#N)cc3)CC2)nnc1C(C)(C)C 1545127123 DTWKNQPVKPURKS-HXUWFJFHSA-N 451.619 2.490 30 10 JEEE COCCNC(=O)[C@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CC12CCN(C(=O)CCOC)CC2 1548379208 IPAWVJIOMSNPJX-HXUWFJFHSA-N 496.530 2.421 30 10 JEEE C#CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCN(CC)C(=O)C1 1587769092 BRFGNSUSRIPQOE-IBGZPJMESA-N 474.606 2.449 30 10 JEEE C#CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1587831012 HARCXFNBFLWOOF-UHFFFAOYSA-N 468.949 2.464 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCn1ccnc1C 1588144102 TYYWLKTWOLPVNA-HXUWFJFHSA-N 467.574 2.255 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1CCNC(=O)c1cccc(C)c1 1588155609 RVBFWGGNFAUSHE-UHFFFAOYSA-N 451.534 2.328 30 10 JEEE C#CCN(CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H]1CC(=O)N(CCOC)C1 1588263168 QPYSGLKSQSDQBX-LJQANCHMSA-N 452.559 2.102 30 10 JEEE C=CC[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NS(C)(=O)=O)CC1)c1ccccc1 1594544862 NOBGJLAEYQXTJV-ICSRJNTNSA-N 472.615 2.107 30 10 JEEE C=CCCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCN(C)C(=O)C1 1594644470 BVPUYDPGAZDTPY-UHFFFAOYSA-N 451.619 2.278 30 10 JEEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 1594807438 OVJSCYZSQQJOEC-LJQANCHMSA-N 456.547 2.122 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(C)COCCO1 1595303364 RIKUXLGHMNYJEN-FDDCHVKYSA-N 481.594 2.031 30 10 JEEE C=CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1595366913 UITVIPZWBPNZLE-OAQYLSRUSA-N 470.618 2.380 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1595506577 FNGVDWRMDZWUES-UHFFFAOYSA-N 485.898 2.191 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CC[C@@H](CN2CCCCC2)C1 1595798924 VNGKQAQSDGVNQE-VQTJNVASSA-N 451.637 2.085 30 10 JEEE CC(=O)N1CCN([C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CC(C)(C)CN(C)C)C[C@@H]2C)CC1 1596267692 KLEYTKZFGHUBTN-GBXCKJPGSA-N 492.672 2.393 30 10 JEEE CC(=O)N[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCC[C@H]2C)C1 1596463595 BKPFTULYYIIOHT-WIYYLYMNSA-N 451.575 2.318 30 10 JEEE CCc1cnc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@@H](C(N)=O)C2)s1 1613849989 CFGAIWGQYGGXHV-MRXNPFEDSA-N 451.556 2.498 30 10 JEEE CCN(CC)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1615439309 GAEIERONALJAJA-HXUWFJFHSA-N 476.589 2.081 30 10 JEEE CO[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1)C(C)C 1618976690 GVOGIKLLXLRVIQ-AZUAARDMSA-N 460.604 2.253 30 10 JEEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCC[C@H]2C)C[C@H]1C 1619951654 HQFLYWRPXVSQMN-NHCUHLMSSA-N 467.618 2.370 30 10 JEEE C[C@H](C#N)CN(C(=O)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1)C1CC1 1624273232 FNVSGEXIZWTTPF-CYBMUJFWSA-N 456.362 2.234 30 10 JEEE CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1 1626145225 FHKCZWIYEDJXMV-UHFFFAOYSA-N 450.511 2.095 30 10 JEEE Cc1ccc(S(=O)(=O)N[C@@H](C(=O)Nc2ccc(Br)c(C#N)c2)[C@@H](C)O)cc1 1635978802 BSRHHTXSSCGTJD-SJKOYZFVSA-N 452.330 2.296 30 10 JEEE C#CC[C@@H](NC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCc3ccccc32)c1)C(=O)OC 1638827219 SMELXAMWDSUKKV-GOSISDBHSA-N 456.520 2.131 30 10 JEEE C=C(C)c1cccc(NC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c2ccc3c(c2)OCCO3)c1 1648439167 REPJJRWMEWGMLZ-GOSISDBHSA-N 459.524 2.042 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(=O)NC1CCCCC1 1689847195 ULDLSFPKSMKCNB-MRXNPFEDSA-N 457.604 2.145 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2CCCN2CCC(O)CC2)c1 1689870391 MHXYQOBJISSAIT-UHFFFAOYSA-N 473.581 2.243 30 10 JEEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1689931712 GENNIQDYQRCOBB-NBGIEHNGSA-N 488.633 2.301 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1C[C@H]1NC(=O)CC1(C)C)[C@H]1CCS(=O)(=O)C1 1689984140 LSLJNGIMGXHJRW-ZWKOTPCHSA-N 476.002 2.140 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CCOc1ccc(Cl)cn1)[C@H]1CCS(=O)(=O)C1 1689994145 RXASHRMOBCUEMD-IBGZPJMESA-N 486.985 2.018 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1689998633 RTVVFSFUTQQCFR-GUDVDZBRSA-N 464.632 2.129 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@H](C)CN2CCOCC2)CC1 1690112027 OPPVWJYLRJKMCV-RTWAWAEBSA-N 470.593 2.281 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCSCC(F)(F)F)CC1 1690113950 YPNHGLRESNJRIY-LJQANCHMSA-N 461.554 2.369 30 10 JEEE C=C(C)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N(C)CCN1CCOCC1 1690284729 VCQOUCXVBOKBAR-UHFFFAOYSA-N 451.575 2.410 30 10 JEEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1690361055 FZANXDSZCZSMSR-BJLQDIEVSA-N 481.041 2.324 30 10 JEEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2cc(Cl)ccc2C1 1690508664 MVXLJRXSKLXEGZ-FQEVSTJZSA-N 496.033 2.420 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCCO[C@@H](c2ccccc2)C1 1690658888 CPUVHCRSCZYAHF-LJQANCHMSA-N 461.526 2.196 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCN2C(=O)OC[C@H]2C1 1690715131 DPLRZPCQGCSZOF-NVXWUHKLSA-N 495.989 2.313 30 10 JEEE CC(C)(C)S(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@H](C#N)C1 1691320413 GAOITHYRFJDWJD-QGZVFWFLSA-N 451.980 2.464 30 10 JEEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1696902630 HLZSXFYNJSEYOU-OALUTQOASA-N 488.596 2.303 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@H](C)Oc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1705570054 JXZMMXFKUHQJFC-GHTZIAJQSA-N 483.569 2.497 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCN(C2CC2)C1 1705582811 KDBCKVGEJXHNPB-PZJWPPBQSA-N 468.602 2.144 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCCc2ccc(OC)cc2)CC1 1705635268 VJCOLVKYOCPKIQ-VWLOTQADSA-N 453.587 2.327 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC(C)(C)CN2CCCC2)CC1 1705644705 ZNWZKDOWHFYZKO-UHFFFAOYSA-N 492.628 2.013 30 10 JEEE C#CCSCCn1c(Cc2ccccc2F)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1705661234 WJZRUFWDBYILOW-UHFFFAOYSA-N 470.618 2.119 30 10 JEEE C=C(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN([C@H](C)C(=O)NCCCOC)CC1 1705723518 YYRFQQRWRHAFPQ-QGZVFWFLSA-N 461.998 2.233 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCCN(c2nc(CC)ns2)CC1 1705898884 BBKVOWJFFVHDJK-UHFFFAOYSA-N 452.588 2.378 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1705899128 ITUOMKZUWIVXKE-DLBZAZTESA-N 473.375 2.257 30 10 JEEE C[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCNS(=O)(=O)Cc2ccon2)[C@@H]1C 1708133554 BMOJOFXDODPPJY-DLBZAZTESA-N 485.570 2.071 30 10 JEEE CC[C@@H]1CCCCN1CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1709251327 FMLYSNHYIXVREX-HSZRJFAPSA-N 478.645 2.291 30 10 JEEE CCCNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1709828979 ABKNAQCCXGSXLP-UHFFFAOYSA-N 464.574 2.071 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccccc1OC(F)F)[C@@H]1CCS(=O)(=O)C1 1722365198 CUPWZRNVKDPGEV-IAGOWNOFSA-N 466.510 2.058 30 10 JEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1CCN1CCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1722371071 GVXVFTDPDPOSRM-IFMALSPDSA-N 485.654 2.183 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@H](F)COC)CC1 1722441311 KZTWCKIFMNDLCK-ROUUACIJSA-N 450.559 2.090 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC(C)(C)C(=O)NCC)CC1 1722450523 LGZDPBFTXWOHAX-WOJBJXKFSA-N 486.661 2.325 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccccc2C)CC1 1722452806 KXSYADKCVBLJAZ-VXKWHMMOSA-N 451.571 2.325 30 10 JEEE Cc1n[nH]cc1CCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)C[C@@H](C)C#N 1724092095 BCVXZFPNLTWGRW-INIZCTEOSA-N 470.603 2.456 30 10 JEEE CN1CCN(CCn2c(CNC(=O)c3cccs3)nnc2N2CCC(CC#N)CC2)CC1(C)C 1729603209 BFFRSFCEQRQZJB-UHFFFAOYSA-N 484.674 2.426 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(C)(C)COCC)c1 1740564191 DRHVGZOKZZMFQN-IBGZPJMESA-N 487.626 2.299 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2C[C@H](C(C)C)N2CCOCC2)c1 1740564830 YXOFUBRZSJBXQX-JTHBVZDNSA-N 480.613 2.195 30 10 JEEE C#CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CCCS(=O)(=O)C1 1740607823 DYHIRBUEGAQWCZ-MSOLQXFVSA-N 465.620 2.287 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CCN1CCOC(C)(C)C1)[C@H]1CCS(=O)(=O)C1 1740618169 DCNXDGJHNWLDBG-QFIPXVFZSA-N 485.654 2.245 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1740619901 MOWBUMYYMJQOKR-NRFANRHFSA-N 453.568 2.260 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CSCCS1)[C@@H]1CCS(=O)(=O)C1 1740621040 SQRJVACHXMKTQZ-CVEARBPZSA-N 484.072 2.469 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1Cc1c(CC)nn(C)c1CC)[C@@H]1CCS(=O)(=O)C1 1740621965 QZAGKSQALOFHOU-GOSISDBHSA-N 496.637 2.487 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H](c1ccco1)N(C)C 1740631293 TWKUYWYGSSPJAO-NRFANRHFSA-N 480.594 2.164 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CC[C@]2(CCOC2)O1 1740680965 UMVMCIQSUVXQED-OXJNMPFZSA-N 464.364 2.460 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCOc2cccc(Cl)c2)CC1 1740705645 KEOPRVTXRDAOHF-GOSISDBHSA-N 457.962 2.480 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CSc3ccccc3OC)n2CCC(=O)N(C)C)CC1 1740707473 DEELBOACFBYRJN-UHFFFAOYSA-N 484.626 2.023 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N(C)CCNS(=O)(=O)c1ccc(C)cc1 1740743840 GPLIEZLOUZNROI-MRXNPFEDSA-N 484.420 2.414 30 10 JEEE C=CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1740865860 SIHXJYOIBHLSDA-LJQANCHMSA-N 485.614 2.393 30 10 JEEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(Oc2cncc(Cl)n2)CC1 1740885793 ODPKLFNTEHMAPO-INIZCTEOSA-N 461.954 2.313 30 10 JEEE C=CCCOCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](OC)[C@H](OC)C1 1740888672 VACBHNJGTVMMIR-QRVBRYPASA-N 481.594 2.029 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1740956921 VLYUTGTVTSAXRH-XLIONFOSSA-N 489.020 2.456 30 10 JEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC(CN2C[C@H](C)O[C@H](C)C2)CC1 1740961639 GHKNSIQMLCEMTA-HDICACEKSA-N 487.674 2.262 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC[C@@H](c3ccnn3C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740966570 ZXNWNLNBBWQEEU-QRVBRYPASA-N 498.632 2.469 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 1740991476 XJFNYNDWVDKDOQ-FQEVSTJZSA-N 487.626 2.144 30 10 JEEE CC(C)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCC(O)CC2)CC1 1741559669 BBBLDZJMQJHIDX-UHFFFAOYSA-N 451.619 2.442 30 10 JEEE CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 1745790903 CVQHTYZELOMABI-NRFANRHFSA-N 499.641 2.174 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC2(COC)CCC2)c1 1748692798 OQVGNFOOXRSIAF-HXUWFJFHSA-N 499.637 2.443 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H](C(CC)CC)N(C)C)[C@@H]1CCS(=O)(=O)C1 1748811885 NFUMEPKFADLTIV-TZIWHRDSSA-N 458.632 2.333 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@H](c1cccs1)N(C)C)[C@H]1CCS(=O)(=O)C1 1748819954 VKNSPYLUKBDUST-VQTJNVASSA-N 484.651 2.255 30 10 JEEE C#CCN(c1nnc(Cn2ccc3ccccc32)n1C[C@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1748822170 ZHKIKIUBFDKJGQ-WMZHIEFXSA-N 455.584 2.069 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(Cl)c(OC)c(OC)c1 1748930029 WHMUSXACOBEVAE-HNNXBMFYSA-N 452.964 2.359 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@](C)(O)c2cc(C)oc2C)CC1 1749003695 RVKYYLKYRFVBCH-UIOOFZCWSA-N 499.612 2.014 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2C[C@@H](C)SC)CC1 1749009930 MZMAHTQMWZFEFB-GOSISDBHSA-N 482.658 2.169 30 10 JEEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1749085759 FBGALTNLMATRRS-GJZGRUSLSA-N 472.413 2.143 30 10 JEEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](c2ccccc2)C1 1749229485 KYLWMONNHQQLOD-NHCUHLMSSA-N 475.615 2.198 30 10 JEEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(OC[C@H]2CCCCO2)CC1 1749268470 AUKLANRPBLDKHY-FUHWJXTLSA-N 459.012 2.487 30 10 JEEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCN1CCCO[C@@H](C)C1 1749483137 WAPZYFRWHYTBJO-SFHVURJKSA-N 461.636 2.361 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCN1CCCS1(=O)=O 1749506114 DDZJZWFEOAYOOM-INIZCTEOSA-N 454.597 2.008 30 10 JEEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1749677148 PHBABTGTFHVDAL-NRFANRHFSA-N 466.630 2.445 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1749727088 MRCYLVQADJKXTM-WBVHZDCISA-N 482.946 2.322 30 10 JEEE CC(C)(C)Cc1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CCN1CCCS1(=O)=O 1750476150 CKWBLFPROOWZCQ-FQEVSTJZSA-N 472.615 2.352 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1ccccc1OCCOC)[C@H]1CCS(=O)(=O)C1 1760186325 BQAOVFXPOBHPCH-RBBKRZOGSA-N 488.610 2.220 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(OC(F)F)c2)n1CCNC(=O)c1cc[nH]n1 1760211551 IUHAGACUCZWXIW-UHFFFAOYSA-N 453.453 2.163 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@]1(O)CCO[C@@H]1C 1760232775 LDGUBGFIXFPQBL-MZNJEOGPSA-N 450.543 2.064 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@H]2CCN(c3ccccc3F)C2)CC1 1760257363 UTSFUYKFMZXYDS-RTWAWAEBSA-N 470.593 2.423 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@](C)(O)c2ccco2)CC1 1760259098 YCIDMYRFORMNBZ-DEOSSOPVSA-N 451.527 2.218 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H](C)N2CCC(C)CC2)CC1 1760269564 LNZIXLPGZCONBD-UNMCSNQZSA-N 456.635 2.258 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(=O)NCCC 1760294788 GSTSEMZELFHJLK-HOYKHHGWSA-N 474.606 2.495 30 10 JEEE C=CC[C@H](Cn1c(CC(C)C)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1)c1ccccc1 1760419859 DISOKNMFOVWSRN-OAQYLSRUSA-N 492.628 2.303 30 10 JEEE C=CCCOCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCS(=O)(=O)CC1 1760449986 BALFJGRZJCYZCL-GOSISDBHSA-N 483.635 2.220 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC(=O)N(C)C)C1 1760542162 JYVWMYWFBKVSFP-SFHVURJKSA-N 462.595 2.262 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1760549100 WITZBZXKMPJWKS-GOSISDBHSA-N 495.671 2.212 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CC1CCN(CCN(C)C)CC1 1760692580 BRFJKCCYZUSMCI-SFHVURJKSA-N 477.617 2.463 30 10 JEEE Cc1ccc(C)c(OCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H](N2CCOCC2)C(F)(F)F)c1 1761728817 DTAFMNIGTDNVRT-ICSRJNTNSA-N 494.518 2.466 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1Cc1cnnn1C 1762245119 DKPXPPBXXLFLCT-UHFFFAOYSA-N 477.573 2.293 30 10 JEEE CC1(C)O[C@@H]2C=C3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1 1775963605 ZVWJSYRCACWRNS-JCRDZSFKSA-N 450.478 2.287 30 10 JEEE COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2C[C@H](C)O)cc1 1862610312 HVJNLRCKFMJJEM-RBZFPXEDSA-N 453.447 2.204 30 10 JEEE COc1cc(C(=O)NCC(=O)Nc2c(C#N)nnn2-c2ccc(C)c(Cl)c2)cc(OC)c1OC 1870140579 YUBGGFBVONINKZ-UHFFFAOYSA-N 484.900 2.495 30 10 JEEE C=CCn1cc(OCC(=O)OCCOc2ccccc2)c(=O)cc1CN(CCOC)CCOC 1870328443 AIMAZRZIYSEBPP-UHFFFAOYSA-N 474.554 2.130 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)Nc2ccccc2F)cn1CCOCCO 1870756720 BCSJKCBOAVILKR-UHFFFAOYSA-N 459.518 2.188 30 10 JEEE C=CCn1cc(OCC(=O)NC[C@H]2CCCO2)c(=O)cc1CNc1ccc(OC)c(OC)c1 1870983461 UVVZWXSGXPWDGR-LJQANCHMSA-N 457.527 2.338 30 10 JEEE C=CCN=c1nc(N2CCN(Cc3ccccc3)CC2)[nH]c(=Nc2cccc(NC(C)=O)c2)[nH]1 1871532996 YYMCGZYSRPFSEK-UHFFFAOYSA-N 458.570 2.338 30 10 JEEE CCOC(=O)c1sc(C2=C(N)N(Cc3ccc(S(N)(=O)=O)cc3)CC2=O)nc1-c1ccccc1 1872796410 ZBGMAODOVSAYMH-UHFFFAOYSA-N 498.586 2.346 30 10 JEEE C#CCOCCS(=O)(=O)CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1990707238 CHOGNXNAEOCKAK-JOCHJYFZSA-N 471.531 2.433 30 10 JEEE CC1(NS(=O)(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2255934134 XVPRNZADSAFVBT-UHFFFAOYSA-N 452.382 2.274 30 10 JEEE CC(C)(C)OC(=O)NC1(CNC(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)CCOCC1 2266997452 UPMUDEMVBFGSIU-UHFFFAOYSA-N 467.397 2.246 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(C)C)n1 2267147275 QFVGZNQXZLXDPW-MRXNPFEDSA-N 450.389 2.481 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](OCCNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)C1 2267151148 HITDSBOHXAJZST-AWEZNQCLSA-N 467.397 2.198 30 10 JEEE Cc1cc(S(=O)(=O)NC2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)sc1B1OC(C)(C)C(C)(C)O1 2267357465 AOYXSASJWSSYCA-KBPBESRZSA-N 484.449 2.499 30 10 JEEE CCc1nn(C)c(C(=O)N[C@H]2CC[C@H]2NC(=O)OCc2ccccc2)c1B1OC(C)(C)C(C)(C)O1 2267508508 GFQCNPQNNFCOOD-RBUKOAKNSA-N 482.390 2.469 30 10 JEEE CC(C)(C)OC(=O)N1[C@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)CC[C@H]1C1CC1 2268643847 LZKHDKCXBSERDJ-KBPBESRZSA-N 464.397 2.376 30 10 JEEE Cn1cc(C(=O)NC[C@@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2281958423 GODZSOKNQIIZRN-ZDUSSCGKSA-N 470.326 2.094 30 10 JEEE Cn1nc(C(=O)N2C[C@H]3CC[C@@](NC(=O)OC(C)(C)C)(C3)C2)cc1B1OC(C)(C)C(C)(C)O1 2281968953 HGHVIELEMHQSLN-NPMXOYFQSA-N 460.384 2.239 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCN(C(=O)OC(C)(C)C)CC(C)(C)C2)n1 2282039750 ZMUCVCZHVJOWGA-UHFFFAOYSA-N 462.400 2.438 30 10 JEEE CCn1cc(C(=O)N2C[C@H]3CC[C@H]2[C@@H]3NC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2282052186 LQUMRCSJTJIVBH-HYVNUMGLSA-N 460.384 2.330 30 10 JEEE C[C@@H]1CN(C(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)C[C@@H](C)N(C(=O)OC(C)(C)C)C1 2282066554 KAAQVOUZZQCMST-HZPDHXFCSA-N 462.400 2.437 30 10 JEEE CN(C[C@H]1COCCN1C(=O)OC(C)(C)C)C(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2282175460 WWLMGGIXYMXQOG-INIZCTEOSA-N 461.368 2.089 30 10 JEEE CN1CCN(C(=O)OC(C)(C)C)C[C@H]1CNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2282182724 WQFDSYGPNVAJLS-LJQANCHMSA-N 459.396 2.267 30 10 JEEE CN(CCc1n[nH]c(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)n1)C(=O)OC(C)(C)C 2282203900 QZNOOQIHFMNBBC-UHFFFAOYSA-N 460.344 2.094 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](O)CN1C(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1F 2282397960 UXUVQZAJKZRNNR-HUUCEWRRSA-N 464.343 2.225 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)c2cccc(F)c2B2OC(C)(C)C(C)(C)O2)CCO1 2282406602 MFGVVRUNQDDZND-HNNXBMFYSA-N 464.343 2.491 30 10 JEEE Cn1ncc(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 2282483641 ARCAWHHTGIWZFR-YQQAZPJKSA-N 460.384 2.095 30 10 JEEE CC[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282540107 DYHUXJYBGANPEA-RDJZCZTQSA-N 462.400 2.485 30 10 JEEE Cn1cc(C(=O)NC[C@]23CC[C@@H]2CN(C(=O)OC(C)(C)C)C3)nc1B1OC(C)(C)C(C)(C)O1 2282545185 HVHOKZGQHASUCO-CMJOXMDJSA-N 460.384 2.096 30 10 JEEE Cn1cc(C(=O)N2C[C@H]3CN(Cc4ccccc4)C[C@@]3(C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2282598470 LPEBWBNDEBULBC-CLOONOSVSA-N 450.392 2.313 30 10 JEEE Cc1cnc(C(=O)N[C@@H]2COCC[C@@H]2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2282649244 YAOLYBSJLAMEPW-DLBZAZTESA-N 461.368 2.101 30 10 JEEE Cc1cnc(C(=O)N[C@@H]2COCC[C@H]2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2282649245 YAOLYBSJLAMEPW-IAGOWNOFSA-N 461.368 2.101 30 10 JEEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC[C@@H]1CCCCN1C(=O)OC(C)(C)C 2282700731 SENPLTHDUXKXGN-HNNXBMFYSA-N 463.388 2.024 30 10 JEEE C=CCN(CC(=C)B1OC(C)(C)C(C)(C)O1)C(=O)[C@@H]1CN(C)C(=O)CN1C(=O)OC(C)(C)C 2283982506 YGQXBCPPGDWTMD-KRWDZBQOSA-N 463.384 2.266 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCc2c(B3OC(C)(C)C(C)(C)O3)cccc21)C1COC1 2284019192 ZPPGXBIEJVKWED-LJQANCHMSA-N 458.364 2.415 30 10 JEEE CC(C)(C)OC(=O)NC1CC(O)(C(=O)N2Cc3ccc(B4OC(C)(C)C(C)(C)O4)cc3C2)C1 2284052268 WIYQZVRKQNVMPR-UHFFFAOYSA-N 458.364 2.246 30 10 JEEE C[C@@H](NC(=O)CN1CC(CNC(=O)OC(C)(C)C)C1)c1nscc1B1OC(C)(C)C(C)(C)O1 2284064864 ZEAAHCCMFVTVOV-CQSZACIVSA-N 480.440 2.076 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2OCC[C@@]2(C(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)C1 2296392569 PMZRFMCFOKRJRQ-QMHKHESXSA-N 459.352 2.345 30 10 JEEE CCn1c(N2CCOCC2)c(C=C2SC(=S)N(C[C@@H]3CCCO3)C2=O)c(C)c(C#N)c1=O 2314425912 AUGFJTXWJNOTFH-HNNXBMFYSA-N 474.608 2.265 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)n1C 2362338120 CIOWMBZIPWWKHB-HZPDHXFCSA-N 462.400 2.451 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@H]2C[C@H](NC(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)o3)C[C@@H]21 2369090518 SNZQCAGPXRIZFD-HLLBOEOZSA-N 462.352 2.476 30 10 JEEE C/C(O)=N/S(=O)(=O)c1ccc(NC(=O)[C@H]2CCCN(c3ccc(-n4cccn4)nn3)C2)cc1 62163690 KUOMRAFDMBCARY-INIZCTEOSA-N 469.527 2.183 30 10 JEEE COc1ccc(CCn2c(NN=Cc3ccc(OC)c(OC)c3)nc3c2c(=O)n(C)c(=O)n3C)cc1 254494094 WQXPWKOWBKGHAF-UHFFFAOYSA-N 492.536 2.148 30 10 JEEE N#Cc1c(CCCNC(=O)C(=O)Nc2ccc3c(c2)CCCO3)nn(-c2ccc(F)cc2)c1N 523213560 QZJCHLCTSBZHBY-UHFFFAOYSA-N 462.485 2.478 30 10 JEEE C#CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CC)CCS(C)(=O)=O 1286324435 PNHINIGWKRJZDX-SFHVURJKSA-N 483.635 2.261 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 1286383073 CQIJAMAXYCXNBO-SJLPKXTDSA-N 494.017 2.223 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc4cccnc34)n2CCOCCOC)CC1 1286489298 NLESBGOQPGXBAR-UHFFFAOYSA-N 462.554 2.122 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCc2cnn(C)c2)CC1 1286489349 PFIADVSCIYOABH-UHFFFAOYSA-N 466.977 2.326 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2Cc2cccc(COC)c2)CC1 1286494415 OFZCEGWFEQGWNV-UHFFFAOYSA-N 458.566 2.424 30 10 JEEE C=CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1286680927 NVMBETJFTCECMI-SFTDATJTSA-N 473.666 2.399 30 10 JEEE C=CCN(c1nnc(-c2ccc(Br)cc2)n1C[C@]1(O)CCS(=O)(=O)C1)C1CC1 1286735203 QNGYPQXRPCPKCH-LJQANCHMSA-N 467.389 2.412 30 10 JEEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 1286777037 WAGHKNFSDVXFEI-IBGZPJMESA-N 452.584 2.311 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)C[C@@H]1c1cccc(OC)c1 1286778426 DEDCESCOUGQVHO-YLJYHZDGSA-N 452.559 2.412 30 10 JEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 1286791086 SXATXBQFIYSNDH-SFHVURJKSA-N 485.614 2.043 30 10 JEEE C=CCOc1ccc(Cn2c([C@H]3CCCOC3)nnc2N2CC[C@@H](S(=O)(=O)NCC)C2)cc1 1286797562 XENVXLHRWHKQGW-PZJWPPBQSA-N 475.615 2.303 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1286802322 AEMJZRMOAXPECE-XLIONFOSSA-N 461.588 2.017 30 10 JEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1300440892 AEECIGITTAMVPK-MRXNPFEDSA-N 484.548 2.149 30 10 JEEE C#CCN(c1nnc(C2CC2)n1C[C@@H](C)N(CC)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1300493892 WXLJDKJJOVJVDL-AEFFLSMTSA-N 465.620 2.428 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccccc1OC)N1CCCC1 1300537462 HKWUCIAASYDYJM-IFMALSPDSA-N 481.622 2.099 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccccc1CN1CCC(O)CC1 1300553619 LSXVJBOFUCHUIJ-ZCYQVOJMSA-N 477.609 2.080 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1CC1(CS(C)(=O)=O)CC1 1300648550 FTIPWRMZVPBRFK-UHFFFAOYSA-N 473.574 2.004 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CCCS(=O)(=O)C1 1300675952 ILWHGHZFOKHMAK-IPMKNSEASA-N 452.621 2.108 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCn2ccnc2C)CC1 1300733125 SFGQHRLGFLKGQO-NHCUHLMSSA-N 467.618 2.368 30 10 JEEE C=C(Br)Cn1c(Cc2ccccn2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1300851603 VYSOCJMBJQJMKR-OXJNMPFZSA-N 488.434 2.161 30 10 JEEE C=CCCOCCn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1301257924 GTRXECLOQQKSRE-OALUTQOASA-N 457.579 2.162 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cnn(C)c1C 1301338194 SPMFIMBIWQCGMW-IBGZPJMESA-N 470.599 2.472 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCc2nc(O)c(C#N)cc2C1)C(C)C 1301367491 OWFWZAUQOJOUMW-FGZHOGPDSA-N 490.612 2.463 30 10 JEEE C=CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1301600625 GKDUSRYDFQIROS-OAQYLSRUSA-N 477.612 2.299 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CCCCS1(=O)=O 1358900412 JWBHZKZPERGLAA-FJIDUMEYSA-N 465.620 2.474 30 10 JEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCc2c(ccnc2O)C1 1358922850 UDHBJSLDMPTGPX-UHFFFAOYSA-N 466.567 2.272 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccccc1N1CCCCC1)[C@H]1CCS(=O)(=O)C1 1358955792 UCGPELCASKNEHI-NRFANRHFSA-N 498.653 2.082 30 10 JEEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C)[C@H]1CCS(=O)(=O)C1 1358961717 DLGCSCKMWUBOKX-FCGDIQPGSA-N 491.658 2.086 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1cnn(CC(C)C)c1C)[C@H]1CCS(=O)(=O)C1 1358962187 LZTALRVMWPELRW-FPOVZHCZSA-N 474.631 2.008 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCc1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 1358967269 HCFIJZUTQHFLQX-PWRODBHTSA-N 488.658 2.190 30 10 JEEE C#CCN(c1nnc(COCC)n1Cc1ccc(OC)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 1358967545 MTUZRGOZAQTJNU-MRXNPFEDSA-N 452.964 2.152 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(NC(=O)OC(C)(C)C)COC1 1358985569 BTVXYRVTJVOYGX-RUZDIDTESA-N 487.601 2.075 30 10 JEEE C#CCN(CCOC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@]1(O)CCN(C)C1 1359026876 NMRBBFOQYOMADV-RUZDIDTESA-N 455.603 2.307 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@]2(O)CCSC2)CC1 1359034779 CGVUAYGOSLEGHL-YADARESESA-N 490.674 2.016 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCc2cn[nH]c2)CC1 1359039429 IYNFRKVBJARWOZ-IBGZPJMESA-N 454.579 2.071 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2CC2CCN(C(=O)OC)CC2)CC1 1359039631 PLMSKUOCOZAMGL-UHFFFAOYSA-N 470.549 2.230 30 10 JEEE C=C(C)COCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@H](C)O[C@H](COC)C1 1359133700 XVGRNWSWDAFBEJ-FPOVZHCZSA-N 471.606 2.285 30 10 JEEE C=CCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1359216146 PTCOEGIWBWJMKG-QGZVFWFLSA-N 466.633 2.414 30 10 JEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C)C1CC1 1359251846 XBVXEYWHJVAVQM-SJLPKXTDSA-N 498.650 2.021 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](C(N)=O)C1 1359311161 SCDVBKYUYCIUOW-DYXWJJEUSA-N 455.559 2.317 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(OC)c3)n2CCS(=O)(=O)N2CCSCC2)C1 1359314569 DAHOSBHSOBRMGV-HXUWFJFHSA-N 493.655 2.114 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1359335320 IATJBWOODZCYOX-FCHUYYIVSA-N 490.626 2.459 30 10 JEEE C=CCSCCn1c(Nc2cnn([C@H]3CC3(F)F)c2)nnc1[C@@H]1CN(S(C)(=O)=O)CCO1 1359346435 LHMVQPJBCLIINU-GJZGRUSLSA-N 489.574 2.050 30 10 JEEE CC(C)(C)CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)CC1 1359546504 HIYAGIZECPKXGH-UHFFFAOYSA-N 485.658 2.410 30 10 JEEE C=CCn1c(S)nc2cc(C(=O)N3CCN(C(=O)OC(C)(C)C)C[C@H]3C#N)ccc2c1=O 1465696774 QVHFMYYJEOGGBV-OAHLLOKOSA-N 455.540 2.456 30 10 JEEE COC[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1504569227 AWJCUQZQMPGMAQ-KNQAVFIVSA-N 465.558 2.422 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1507626149 NAGSFWWQCNJWCM-CVEARBPZSA-N 482.404 2.232 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H](C)c1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 1507632349 ZHXGCLQUVVAEHX-UYAOXDASSA-N 450.568 2.474 30 10 JEEE C#CCN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1507679238 SNDFCOSPBNTPBU-SKPFHBQLSA-N 473.597 2.124 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1C[C@@H](C)C[C@H](C)C1 1507710909 MIFXQPSNWSSNRT-SLFFLAALSA-N 465.664 2.023 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CC(C)(C)C(=O)NC)CC1 1507721258 MHLMHTRZBKEALV-UHFFFAOYSA-N 468.602 2.268 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H]2CCCCS2)CC1 1507736632 RBEHTTXIBWNYBH-AUSIDOKSSA-N 461.632 2.182 30 10 JEEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(C(=O)c2ccco2)CC1 1507779751 QRNOGJKZEBEJEF-OAHLLOKOSA-N 468.352 2.466 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CCOC)C(=O)C1 1507793553 BFBJPHYPQUSWJQ-GHTZIAJQSA-N 470.530 2.130 30 10 JEEE C=C(Cl)Cn1c(-c2ccccc2F)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1507860046 IANHTCXFWGJUTA-MRXNPFEDSA-N 469.970 2.468 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCO[C@H](C(F)(F)F)C1 1508145385 ZYSMFYCJHJWTHR-AWEZNQCLSA-N 465.523 2.002 30 10 JEEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 1509949253 CHJZXZWMBUTWPO-HJNYFJLDSA-N 486.642 2.210 30 10 JEEE C[C@H]1C[C@H](C)CN(CCCn2c(COc3ccc(C#N)cc3)nnc2N2CCNC(=O)C2)C1 1512002448 DMOSFHVRJVZLJA-OALUTQOASA-N 451.575 2.033 30 10 JEEE C#CCN(c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 1539212682 RBVYATSRVYMOGE-SJLPKXTDSA-N 489.667 2.283 30 10 JEEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1CCCN1C[C@H](C)O[C@H](C)C1 1539334261 YLXKBSYRJNAUQI-BGYRXZFFSA-N 468.627 2.232 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CC2(N(C)C)CCCCC2)CC1 1539482827 XKFULRQIPOMYDQ-NRFANRHFSA-N 456.635 2.402 30 10 JEEE C=C(C)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCN(C(=O)OCC)CC1 1539714629 QXYUBGYKMMHXGI-UHFFFAOYSA-N 467.618 2.497 30 10 JEEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(CCN(C)Cc2ccccc2)CC1 1539714813 XSNNFSCQMWBJHU-UHFFFAOYSA-N 451.619 2.231 30 10 JEEE C=C(C)Cn1c(N2CCN(S(C)(=O)=O)[C@@H](C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1539723545 UDFXEYHUMQTGBW-YESZJQIVSA-N 468.624 2.095 30 10 JEEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@]2(CCOC2)C1 1539803825 NZGILZFPCGPXPO-KKSFZXQISA-N 469.970 2.335 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CC[C@@](O)(Cc2cccc(Cl)c2)C1 1540901897 UDJZYUGDZGUQMW-JOCHJYFZSA-N 491.017 2.117 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@](C)(O)c1ccccc1Cl 1545928425 ABTLZTIKUDSEHC-OPAMFIHVSA-N 460.966 2.486 30 10 JEEE COc1ccc(CS(C)(=O)=O)cc1NC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1562780603 HSBTXKJLVCAUPM-GOSISDBHSA-N 456.524 2.034 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(C)CCC2)c1 1587683497 KNYIWTMXGSTNIM-MRXNPFEDSA-N 458.588 2.135 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(F)cn1)[C@H]1CCS(=O)(=O)C1 1588073799 FAVHEUPAKBMWNS-XUVXKRRUSA-N 475.590 2.406 30 10 JEEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)Cc1c(F)cccc1F 1589069844 OOMZWNNSJOOMFF-IBGZPJMESA-N 499.609 2.282 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(C)(C)C)CC1 1589496760 ZMRJWTGVEKGPFJ-FHWLQOOXSA-N 468.668 2.180 30 10 JEEE C=C(C)Cn1c(CSc2ccccc2OC)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1593677584 DOAVGRRDDXAJQF-UHFFFAOYSA-N 486.642 2.136 30 10 JEEE C=C(C)COCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](CC(N)=O)C1 1593747395 VQLZADQKEPMPAD-RBUKOAKNSA-N 492.621 2.271 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC[C@@H](C2CCC2)C1 1594497380 GJPIGMWPDIYOMM-VQTJNVASSA-N 481.663 2.466 30 10 JEEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)c2ccco2)CC1 1594784429 ZMLKBOLKRFPBBK-UHFFFAOYSA-N 465.514 2.074 30 10 JEEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCS[C@H](C)[C@H]1C 1595490507 UMIXKIPVEQCJQX-HZPDHXFCSA-N 477.660 2.179 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)Cc1ccc(C)o1 1595497079 PINRNMQNMLVINU-UHFFFAOYSA-N 472.571 2.035 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1595523533 XOOVDQIJCANEBJ-IAGOWNOFSA-N 455.563 2.382 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@H](C(=O)NCCCC)C1 1595550212 ADZASSWURVGMTF-RXVVDRJESA-N 482.585 2.226 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@]2(O)CCOC2)C1 1595721195 CVBKZABAOYLMJH-XLNZFTOWSA-N 477.606 2.325 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCC2(CCN(C)C2=O)CC1 1595804535 BQRLQBUWLOZENG-UHFFFAOYSA-N 493.580 2.197 30 10 JEEE C=CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@](C)(C(N)=O)C1 1595884786 SUZRMIXQZZOXQZ-KSFYIVLOSA-N 480.635 2.207 30 10 JEEE N#Cc1ccc(N2CC[C@@H](C(=O)N3CCN(CC(=O)Nc4ccccc4F)CC3)C2)c(F)c1 1610949373 FIDBLBRRCZHFBV-GOSISDBHSA-N 453.493 2.446 30 10 JEEE C[C@@H]1CN(CCCn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@H](CC(N)=O)C2)C[C@@H](C)O1 1612994896 GRPGPVRKEOPOJV-KCZVDYSFSA-N 495.628 2.320 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)NCC2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)ccc1F 1625657608 WPFNMLMBPIJSRR-HZPDHXFCSA-N 453.536 2.133 30 10 JEEE C[C@H](CC(=O)N1CC[C@H](N(C)CCc2ccccc2)C1)/N=C1/NS(=O)(=O)c2ccccc21 1640006165 FLPPQGHOTWUUCH-QUCCMNQESA-N 454.596 2.279 30 10 JEEE C#Cc1cccc(NC(=O)NC(=O)Cn2cc(Cl)cc(I)c2=O)c1 1656569535 NTJFXLHRSJFQNZ-UHFFFAOYSA-N 455.639 2.436 30 10 JEEE C#CCN(C(=O)NCCCC(=O)N1CCc2cc(OC)c(OC)cc2C1)C1CCN(C)CC1 1678600852 CYQFZBOFJPFPOE-UHFFFAOYSA-N 456.587 2.108 30 10 JEEE C#CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1689915109 PXPPBKYGYDDEBK-SJORKVTESA-N 480.660 2.218 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CC1(C)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1689983609 DGIACTBARGNDDR-HXUWFJFHSA-N 453.568 2.260 30 10 JEEE C#CCN(c1nnc(C2CC2)n1Cc1cc(OC)c(OCC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1689987892 DXMZMLDXACIIDL-SFHVURJKSA-N 474.583 2.246 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC(=O)NCc1ccco1 1690013615 WSOKZOOQUCOIGY-UHFFFAOYSA-N 483.532 2.218 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(Br)c[nH]2)n1CCS(=O)(=O)CC1CC1 1690035665 GPWRXULZTOWOGE-UHFFFAOYSA-N 464.389 2.323 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CCNc2ncc(Cl)cc2Cl)CC1 1690124875 WFIWBKIVQATJAV-OAHLLOKOSA-N 450.374 2.351 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H](C)c2nccs2)CC1 1690137879 KTAPMPDQSZYKHE-SBUREZEXSA-N 472.615 2.156 30 10 JEEE C#CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(CO)CC1 1690174448 DLRAEBWKHOSEQD-SFHVURJKSA-N 465.620 2.162 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1-c1cnn(C)c1 1690190202 OAKQVHUORYLYFQ-GAJHUEQPSA-N 467.599 2.329 30 10 JEEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1690451296 CMCHVJPSILYCIM-PZJWPPBQSA-N 480.617 2.271 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCO[C@H]1c1ccccc1 1690527156 KGQOLVACXDHPFS-HKBOAZHASA-N 475.615 2.401 30 10 JEEE CCN1CCN(CCCn2c(C(=O)Nc3ccccn3)nnc2N2CCC(CC#N)CC2)CC1 1695899127 DTPJDMZLXBJAIT-UHFFFAOYSA-N 465.606 2.083 30 10 JEEE CNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1696890588 DDZNUFYTPBIDSQ-UHFFFAOYSA-N 478.601 2.317 30 10 JEEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CCc1ccc(S(C)(=O)=O)cc1 1705500124 GWLPBECQGKCIBH-INIZCTEOSA-N 471.608 2.374 30 10 JEEE C#CCCCCn1c(N2CCN(c3nc(C)cc(OC)n3)CC2)nnc1[C@]1(OCC)CCOC1 1705522281 ZNCFFVYSURITES-DEOSSOPVSA-N 469.590 2.167 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCCN1CCCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1705565130 GOSUFLBQOHCEKE-HBMCJLEFSA-N 463.648 2.411 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1Cc1nnc(CC)s1)[C@H]1CCS(=O)(=O)C1 1705565506 VLVDQLLWYJVUHL-INIZCTEOSA-N 456.597 2.342 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1CC1)[C@H]1CCS(=O)(=O)C1 1705571726 GRVVNCIZMKXAOS-ROUUACIJSA-N 463.604 2.387 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(OC)ccc2Br)n1C[C@@]1(O)CCO[C@@H]1C 1705576491 LRBCIOYEVLZNEV-VFNWGFHPSA-N 459.344 2.329 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCC(=O)Nc2cccc(Cl)c2C)CC1 1705632081 HMOSHVYISIEDEG-UHFFFAOYSA-N 471.993 2.162 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc2c(c1)OCCO2 1705696852 IOJFXRAELRIOGA-BLIXFSHQSA-N 491.614 2.277 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CCc2ccccc2)nnc1N(C)CC(=O)N1CCOCC1 1705706518 WGZHGZVGXBZBHR-XUZZJYLKSA-N 453.587 2.340 30 10 JEEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1705787388 RAPBBVWBCULPMZ-XMMPIXPASA-N 480.573 2.342 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1OCC1CC1 1705843982 STBHUODOSPRMME-FQEVSTJZSA-N 461.588 2.070 30 10 JEEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1705894454 ZSGUPUQYSRMKFP-HOTGVXAUSA-N 459.551 2.009 30 10 JEEE C=CCNC(=O)Cn1c(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)nnc1[C@]1(OC(C)C)CCOC1 1705908646 GDXIXNCZZHZARZ-UUOWRZLLSA-N 492.621 2.067 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1705930041 DIUKXQSHGPTRMG-HLIPFELVSA-N 491.589 2.120 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CCc1n[nH]c(C)n1 1708748096 GGRSYRXBQKJENM-UHFFFAOYSA-N 490.616 2.454 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1ccccc1)C[C@@H]1CCCO1 1722333887 ZULQZCYYAGESPI-FCHUYYIVSA-N 487.626 2.210 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCc1nccs1)[C@@H]1CCS(=O)(=O)C1 1722358431 BNLQMUDJRKPDHS-QGZVFWFLSA-N 457.581 2.280 30 10 JEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CCCC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1722358999 HOYUCIMWBYAJCH-GOSISDBHSA-N 463.991 2.094 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H](C(CC)CC)N(C)C)[C@@H]1CCS(=O)(=O)C1 1722359761 ATRXKQQDUUMYOC-RTWAWAEBSA-N 458.632 2.333 30 10 JEEE C#CCN(c1nnc(C2(c3ccccc3)CCC2)n1C[C@@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1722366710 SHVBYBSULWQUFF-CTNGQTDRSA-N 455.628 2.325 30 10 JEEE C#CCN(c1nnc([C@@H]2COc3ccccc3O2)n1CCCCCOC)[C@H]1CCS(=O)(=O)C1 1722368422 RGFWGHSJQGJVLU-RXVVDRJESA-N 474.583 2.234 30 10 JEEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCNc1nccc(C(F)(F)F)n1 1722374322 UDQPXIHVKRALCM-NRFANRHFSA-N 477.491 2.312 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1722391119 ZXWGPWDTYHVYKZ-RDPSFJRHSA-N 468.579 2.150 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2OC)n1CCN1CCCS1(=O)=O 1722392507 ICUPCKRXUHKKTC-UHFFFAOYSA-N 461.975 2.106 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2Cc2ncccc2N(C)C)CC1 1722442969 KSXCBUFTXLHTGR-UHFFFAOYSA-N 473.581 2.429 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(=C)Br 1722447425 MYXNFYOAJGEFGI-UHFFFAOYSA-N 457.332 2.187 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1722490567 ASABCMOFLTZBMX-JENIJYKNSA-N 469.546 2.184 30 10 JEEE C=C(C)COCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1722530373 SEVWFUGVWCLDGR-UHFFFAOYSA-N 484.557 2.076 30 10 JEEE C=C(C)COCCn1c(Cc2ccc(F)cc2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1722533459 SLZZNLAFKBRJEJ-XMMPIXPASA-N 470.549 2.415 30 10 JEEE C=C(Cl)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1722556003 JWSQKORFIBYBAV-UHFFFAOYSA-N 476.940 2.020 30 10 JEEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](c2nnc3n2CCC3)C1 1722601971 YLMUEABZKQUUQI-IRXDYDNUSA-N 462.624 2.166 30 10 JEEE C=CCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1722687597 OYFMZBRJCJHTSB-JOCHJYFZSA-N 451.619 2.133 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN(c2nc(C)c(C)s2)CC1 1722730312 OKIAOOJGMHOIKI-UHFFFAOYSA-N 450.634 2.231 30 10 JEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CC[C@H](c2cccc(C)c2)C1 1722730391 QLAYUHSRHLPOEK-FQEVSTJZSA-N 457.600 2.304 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](CN2CCOCC2)C1 1722730695 ACTXIJIHKIHXPY-FQEVSTJZSA-N 468.602 2.188 30 10 JEEE C[C@H]1C[C@@H](CCn2c(-c3cccc(C#N)c3)nnc2N2CCCN(S(C)(=O)=O)CC2)CCO1 1726471235 GDHIBKKDCUBROM-OALUTQOASA-N 472.615 2.494 30 10 JEEE CCC[C@@H](C)C(=O)NCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@@H](C)CC#N 1727925171 CNKFATPTMBSZSE-SJORKVTESA-N 464.574 2.483 30 10 JEEE CCN(CC)[C@@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1728364053 HULXVFKYALAZJZ-FQEVSTJZSA-N 466.634 2.194 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2CCOC2)c1 1740562490 NWZMYPQOZWWKAB-NLFFAJNJSA-N 467.570 2.411 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CCN(C)[C@@H](C)CC)c1 1740563259 RXTUDFBZFBMQPL-IBGZPJMESA-N 465.602 2.301 30 10 JEEE C#CCCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1740571039 WDJOOFMSWJYRCO-UHFFFAOYSA-N 466.542 2.286 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1CCc1nccnc1C)[C@@H]1CCS(=O)(=O)C1 1740624050 DHJCUAWZVQADOI-OAQYLSRUSA-N 464.595 2.031 30 10 JEEE C#CCN(c1nnc(COCC)n1C[C@@H](c1ccccc1Cl)N(C)C)[C@H]1CCS(=O)(=O)C1 1740626778 CMIZKWLZSVXVTL-PXNSSMCTSA-N 480.034 2.398 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)c1ccc2c(c1)OCCO2 1740646255 UISWSNPFTLKWFL-SFHVURJKSA-N 485.610 2.100 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(Br)s2)n1CCCn1cc(CO)nn1 1740650300 VTJHPMVACSYPMH-UHFFFAOYSA-N 474.388 2.406 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@H]1CCC(=O)N1 1740650659 ILRQTDAHSFTVIY-MRXNPFEDSA-N 456.344 2.458 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCSC(C)C)CC1 1740703616 YNBQUGLVLCFONH-QHCPKHFHSA-N 463.648 2.426 30 10 JEEE C=CCCCCCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCS(=O)(=O)C1 1740857692 VRTHQYXZCYMRJV-MSOLQXFVSA-N 458.650 2.188 30 10 JEEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(C)[C@@H](C)c1ccc([S@@](C)=O)cc1 1740959358 SNIIMUWVWUBSRI-QHHMQJFDSA-N 484.582 2.243 30 10 JEEE CCO[C@@]1(c2nnc(N3CCCN(c4ccccc4C#N)CC3)n2CCNC(=O)C(C)C)CCOC1 1746724425 GQVDDMANDRGBDG-SANMLTNESA-N 495.628 2.291 30 10 JEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1748760264 YETOPWZGUAGEAN-UHFFFAOYSA-N 477.594 2.109 30 10 JEEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CCN2[C@@H](C)CC[C@@H]2C)CC1 1748765375 DYIYXKDNELJFNG-MLCQCVOFSA-N 458.651 2.410 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1CCCCOCC)[C@@H]1CCS(=O)(=O)C1 1748810704 ZVDOHMWFFJFDIJ-LJQANCHMSA-N 474.583 2.160 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1C[C@H](C)O[C@@H](C)C1 1748830962 BSMWTBSBPVDIDP-OALUTQOASA-N 469.611 2.472 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCn1cc(C)cn1 1748842705 STOKAYGZJGTNMN-UHFFFAOYSA-N 454.538 2.343 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@]1(N2CCOCC2)CCSC1 1748914815 NZRVVTAVFYSCFR-HSZRJFAPSA-N 489.667 2.016 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCn2ccnc2C)CC1 1749003490 LDFJZHGMDVSIOP-UHFFFAOYSA-N 485.390 2.207 30 10 JEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1749034039 VAUYZQKRYDZIMF-ULQDDVLXSA-N 462.620 2.335 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCCO[C@@H](C)C1 1749667280 XBIOYPZRHFFXCE-KRWDZBQOSA-N 465.558 2.153 30 10 JEEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1749672088 PSNYTASDXKMSME-QGZVFWFLSA-N 487.555 2.032 30 10 JEEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1749677897 ODOPMZDPONNMRY-YADARESESA-N 455.559 2.242 30 10 JEEE C=CCNC(=O)Cn1c(N2CCO[C@H](c3ccc(F)cc3F)C2)nnc1[C@@]1(OCC)CCOC1 1749681877 KBOAOJPRNKQYMZ-WMZHIEFXSA-N 477.512 2.089 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1749695682 HGYAROSJADOPMC-ZFWWWQNUSA-N 470.393 2.252 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC=C(COC)CC1 1749724582 KILQSOHUTRZJGG-UHFFFAOYSA-N 470.393 2.419 30 10 JEEE CC(C)C(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCO[C@H]2C)C1 1750557290 CJENPQGKWOVPAE-JVFUWBCBSA-N 466.586 2.345 30 10 JEEE CC(C)N(C)CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCO[C@H](C#N)C1 1750883995 HRGQLCWVZTZPDZ-LJQANCHMSA-N 461.611 2.462 30 10 JEEE C#CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1ccc(-n2cncn2)nc1 1760171544 DFISCVHBJGBKGV-LJQANCHMSA-N 477.573 2.486 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1CCN(C)[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1760185115 PZFXHVWIJFFUKC-OALUTQOASA-N 459.616 2.311 30 10 JEEE C#CCN(c1nnc(-c2nnc(O)c3ccccc23)n1CCCCC)[C@H]1CCS(=O)(=O)C1 1760188786 MVLPKRKZVCBFDH-INIZCTEOSA-N 454.556 2.411 30 10 JEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCO[C@@H]1C(=C)C 1760200936 YAWDICOTTDCZIO-AZUAARDMSA-N 452.584 2.292 30 10 JEEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1Cc1ccc(N2CCC(CO)CC2)cc1 1760237912 ADXFLDUKQSMNLW-UHFFFAOYSA-N 450.587 2.117 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)CC1 1760271573 CMHUOBXFQVJUAE-JOCHJYFZSA-N 494.615 2.460 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCOCC)CC1 1760273031 GSGJLXXQPATTQZ-KDURUIRLSA-N 474.606 2.051 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1760313288 LWEZPZVIYGOHSG-ZAWLATJESA-N 460.579 2.112 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)C[C@H](O)c1ccc(C)cc1 1760346375 VREFUXXEJFNVOZ-VQTJNVASSA-N 463.604 2.055 30 10 JEEE C=CCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1760433409 FKCPWQJZFOHLTM-UHFFFAOYSA-N 467.555 2.423 30 10 JEEE C=CCCOCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1760451691 PZFRCVCSEJDSBY-OAQYLSRUSA-N 491.614 2.244 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nncn1CC 1760485267 XRWPITXBPHOFFE-QGZVFWFLSA-N 459.551 2.172 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21)C(C)C 1760490033 ONZDCDDPCUXTQF-IVAOSVALSA-N 469.634 2.175 30 10 JEEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1760507615 SWYVIEMYIVAUKD-UHFFFAOYSA-N 499.597 2.077 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H]1c1ccc(OC)cc1OC 1760523143 NJXTWRHASZVFBC-LJQANCHMSA-N 451.531 2.340 30 10 JEEE CC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C)C(=O)C1)NC(=O)OC(C)(C)C 1762343274 DRDCQMPQZZORFD-SFHVURJKSA-N 453.547 2.398 30 10 JEEE C[C@@H]1OCC[C@@]1(O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@](C)(C#N)C1 1763265826 AQAIXRRVGDOUDW-WQTXXOFMSA-N 459.572 2.019 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(C)cc1O[C@@H]1CCOC1 1764187141 FJLXBKGXOMZGKK-RTWAWAEBSA-N 482.585 2.450 30 10 JEEE CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1764679977 CTIPOARHPYRSQZ-UHFFFAOYSA-N 453.547 2.210 30 10 JEEE CCN(CCCn1c(CC2CC2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1)S(C)(=O)=O 1765221839 CQEVELHVLUNNBF-OAQYLSRUSA-N 472.615 2.352 30 10 JEEE CC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CCS1 1765246195 DOAMSOXXNUMFGX-MJGOQNOKSA-N 460.629 2.430 30 10 JEEE COCC[C@@](C)(O)Cn1c(CC(C)(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1770983913 CXXLZIMQNMDSNK-GAJHUEQPSA-N 456.595 2.031 30 10 JEEE COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1Cc1cc2c(cc1OC)C[C@H](C)O2 1771109048 BHRCWUQYHMYCQJ-KRWDZBQOSA-N 468.558 2.261 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)c1nc(-c2ccccc2)no1 1772564398 WJHPNZAUYPNGJL-AEFFLSMTSA-N 487.586 2.087 30 10 JEEE C=CCNC(=O)[C@H]1C[C@@H](O)CN1C(=O)c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O 1861532406 IEXWXWULNFRQSM-AUUYWEPGSA-N 453.882 2.018 30 10 JEEE C=CCOc1ccccc1[C@H]1C(C(=O)N2CCN(C)CC2)=C(N)Oc2c1c(CC)nn2CC 1865224949 KTLPQTFVXLWFGW-HXUWFJFHSA-N 451.571 2.499 30 10 JEEE C=CCN(CC=C)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)CCc1nn2c(C)nnc2s1 1868898127 LIXLZIKOOZRZHA-GOSISDBHSA-N 456.547 2.494 30 10 JEEE C#CCOc1cn(CCN2C(=O)CSC2=O)c(CNc2cccc(NC(C)=O)c2)cc1=O 1871009204 JXNJSUOQKWRANC-UHFFFAOYSA-N 454.508 2.126 30 10 JEEE CCCCCCCCN=c1nc(N2CCN(C)CC2)[nH]c(=Nc2ccc3c(c2)C(=O)N(C)C3=O)[nH]1 1871633120 WDFNKCJHBZHMHF-UHFFFAOYSA-N 480.617 2.209 30 10 JEEE CCOc1cc(/C=N/n2c(COC)nnc2SCC(=O)OC)ccc1OCC(=O)N(CC)CC 1874502147 RYBWMURFSAWMQG-FSJBWODESA-N 493.586 2.218 30 10 JEEE CC(C)N1C(=O)CS[C@H](C(=O)N2CCN(c3ccnc(N(C)C)n3)CC2)[C@H]1c1ccc(C#N)cc1 1889638144 MNPZMWHMFWGOBE-PKTZIBPZSA-N 493.637 2.157 30 10 JEEE CC(=O)Nc1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)N2CC[C@@H](Oc3cc(C#N)ccn3)C2)cc1 1891176829 YOMQMBSQSYLVSX-IRLDBZIGSA-N 497.577 2.135 30 10 JEEE N#C[C@@H]1CN(S(=O)(=O)c2ccc(CO)cc2Br)CCN1Cc1ccccc1 2157781679 WTWQZOHPYNSDQZ-QGZVFWFLSA-N 450.358 2.340 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2247881472 YQWAHSWXXSDXOX-ZDUSSCGKSA-N 458.411 2.335 30 10 JEEE CC1(C)OB(c2sc(S(=O)(=O)NCC(=O)NCc3ccccc3)cc2Cl)OC1(C)C 2247953729 VFHKQLWFVTUSBO-UHFFFAOYSA-N 470.809 2.295 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC(N(C)C(=O)OCc3ccccc3)C2)n1 2255630130 GFVNDEAXRXVKBN-UHFFFAOYSA-N 468.363 2.295 30 10 JEEE CC1(C)OB(c2c[nH]c(C(=O)N[C@H]3CCOC[C@H]3NC(=O)OCc3ccccc3)c2)OC1(C)C 2255709495 XBBRNYUKVHIFIK-AZUAARDMSA-N 469.347 2.128 30 10 JEEE C[C@H](CN(C)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2255797040 YTZVAZPYCHTXCB-CYBMUJFWSA-N 475.442 2.117 30 10 JEEE CC(C)(C)OC(=O)NCC1(CC(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)CCC1 2256614248 MESLBSCKEZWKSD-UHFFFAOYSA-N 452.386 2.283 30 10 JEEE C[C@H]1C[C@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)CCN1C(=O)OC(C)(C)C 2256627551 WFHUQRAAJGIAGW-QWHCGFSZSA-N 452.386 2.233 30 10 JEEE CC(C)(C)OC(=O)N[C@]1(C(=O)O)CCN(C(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2266993167 XWUMYOCNDSXEPU-OAQYLSRUSA-N 466.365 2.241 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1NC(=O)[C@H](O)CCNC(=O)OC(C)(C)C 2268796481 ZMDMTGRXHRMOAB-MRXNPFEDSA-N 450.341 2.209 30 10 JEEE Cc1nc(C(=O)NCCN(CC(=O)O)Cc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)s1 2269070374 FMQDTJSQAULJFP-UHFFFAOYSA-N 459.377 2.067 30 10 JEEE C[C@@H](O)CN(CCNC(=O)c1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1)C(=O)OC(C)(C)C 2281782154 SCISQBBFUPBWIS-OAHLLOKOSA-N 466.359 2.473 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CC[C@@H]1CO 2282174681 HDJXFOHRSOXYLG-IEBWSBKVSA-N 460.380 2.334 30 10 JEEE 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)c[nH]1 2282200901 PCEIBSQGFZGLGJ-XOYOTBSWSA-N 461.368 2.114 30 10 JEEE CC(C)(C)OC(=O)N1CCCC[C@@H](NS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282331788 RVOQIKMBGPPGCG-QGZVFWFLSA-N 481.424 2.449 30 10 JEEE CC(C)(C)OC(=O)N1CCCN(S(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CCC1 2282349042 TWLMBRRFWFTSII-UHFFFAOYSA-N 481.424 2.402 30 10 JEEE Cc1nn(C)c(C(=O)N2CCC[C@@H]2CN(C)C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2282561431 ZOHBQEWJENEAJL-MRXNPFEDSA-N 462.400 2.499 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H]3C[C@H](C2)CN3C(=O)OC(C)(C)C)n1 2282582578 XYHNAQNPXNQTHQ-CVEARBPZSA-N 460.384 2.284 30 10 JEEE Cc1c(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)nn1C 2282587221 JSZYHJGTHQUYOZ-LSDHHAIUSA-N 466.363 2.105 30 10 JEEE CC1(C)OB(c2cc(C(=O)N[C@]34C[C@H]3CN(Cc3ccccc3)C4)c(O)cc2O)OC1(C)C 2282913618 VTDWRYVSCQSLBL-GKVSMKOHSA-N 450.344 2.401 30 10 JEEE C[C@@H](NC(=O)CN1CC(NC(=O)OC(C)(C)C)C1)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2283953484 TWYOHXHNYURRDC-MRXNPFEDSA-N 459.396 2.372 30 10 JEEE CN(Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)[C@@H]1COC[C@@H]1NC(=O)OC(C)(C)C 2283962525 IKPCXBXGZKYZHY-MOPGFXCFSA-N 460.380 2.484 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCOC[C@H]1CC(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2283975230 PXFLDQPZLZYNQT-CABCVRRESA-N 481.424 2.378 30 10 JEEE CN(Cc1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(=O)[C@H](F)C1(O)CN(C(=O)OC(C)(C)C)C1 2284059997 XGDZEOHXKYLNEH-INIZCTEOSA-N 484.399 2.326 30 10 JEEE CN(CC1(O)CN(C(=O)OC(C)(C)C)C1)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2287298609 UXPZPQMJQSZWAD-UHFFFAOYSA-N 464.343 2.179 30 10 JEEE C=CCn1c(=C2SC(=S)N(CC)C2=O)sc(=C2Sc3ccc(OC)cc3N2C)c1=O 2297707803 NHNQYHNSMVWTGC-UHFFFAOYSA-N 477.658 2.401 30 10 JEEE COCCCN1C(=O)C(=O)C(=C(O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@@H]1c1cccc(OC)c1 2297746640 XISMQIFVDIUECZ-NRFANRHFSA-N 488.562 2.404 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CO)C(=O)NCc1sc(Cl)cc1B1OC(C)(C)C(C)(C)O1 2303780909 NARJITUPYKGUIH-GFCCVEGCSA-N 460.789 2.203 30 10 JEEE CC(C)[C@@H](CCNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C)NC(=O)OC(C)(C)C 2337199298 UBZCLDNGTFHTRY-OAHLLOKOSA-N 450.389 2.389 30 10 JEEE C[C@@H]1CCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)[C@H](CNC(=O)OC(C)(C)C)C1 2362347895 LCVNBCHEMGAQGH-CVEARBPZSA-N 462.400 2.485 30 10 JEEE COc1ccc(S(=O)(=O)Nc2ccc(N3CCN(CCC#N)CC3)c(C(=O)O)c2)cc1OC 32961670 WMEJCYWVKKDEHD-UHFFFAOYSA-N 474.539 2.238 30 10 JEEE C=CCn1c(=O)c(=O)n(CC(=O)NCCN2CCN(c3cc(Cl)ccc3C)CC2)c2ccccc21 33268761 HMEIBNRNUSULOE-UHFFFAOYSA-N 496.011 2.249 30 10 JEEE Cn1cc(C=Nn2c(-c3ccc(NS(C)(=O)=O)cc3)csc2=NC[C@H]2CCCO2)cn1 728420557 GECWQDUEUJKKDS-GOSISDBHSA-N 460.585 2.284 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1CCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C1 1190729393 AGXLFPKYPVJSTN-GHTZIAJQSA-N 459.566 2.381 30 10 JEEE C#CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1286345740 QKWRYPIBHVRPJZ-KRWDZBQOSA-N 461.588 2.141 30 10 JEEE C#CCN(c1nnc(-c2cn(C)c3ccccc23)n1C[C@@](C)(O)C(C)C)[C@H]1CCS(=O)(=O)C1 1286390056 VXGNQNGGTKJVAC-MHECFPHRSA-N 469.611 2.471 30 10 JEEE C#CCN(c1nnc(COc2ccccc2OC)n1C[C@@H]1CCO[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1286394233 HVORICCBESPNHI-ZCNNSNEGSA-N 488.610 2.308 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCN2CCCC[C@@H]2CC)CC1 1286494091 RFOYAVDIGMUBJH-VXKWHMMOSA-N 456.635 2.402 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1286549219 WNNSVDOEEMLOIX-GGAORHGYSA-N 487.693 2.392 30 10 JEEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CC(=O)NC2CCCC2)CC1 1286585431 HPNLGKJOXYFJHZ-INIZCTEOSA-N 452.625 2.130 30 10 JEEE C=C(C)COCCn1c(C2CCC2)nnc1N1C[C@@H]2[C@@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1286611252 HAOJJINTHIWBHJ-QYZOEREBSA-N 495.646 2.265 30 10 JEEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 1286714705 UCPLLCCPXYQDJN-UHFFFAOYSA-N 472.615 2.326 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCNC(=O)OC(C)(C)C)C1 1286807691 FFCKHZWPOCHXOL-QGZVFWFLSA-N 495.584 2.498 30 10 JEEE C#CCCOc1ccc(C(=O)N2CCN(S(=O)(=O)c3cc(OC)ccc3OC)CC2)cc1 1290271540 NDDLSNLXAXXKTL-UHFFFAOYSA-N 458.536 2.253 30 10 JEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@]1(O)CCCc2ccccc21 1293407554 BWSBODKTQDNCAP-GBXCKJPGSA-N 455.580 2.480 30 10 JEEE CCS(=O)(=O)N(C)CCCn1c(C2CCC2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1297737475 AGYKDFZLTCPRDL-UHFFFAOYSA-N 485.658 2.411 30 10 JEEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CN2CCCCCC2)CC1 1299300856 BNXICWBQQAFEQK-UHFFFAOYSA-N 485.658 2.458 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1300285242 YZVHPIQDOKZWLG-MAUKXSAKSA-N 485.532 2.070 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCCS(=O)(=O)Cc1ccccc1 1300303551 JNBBISXEBJFTOE-KRWDZBQOSA-N 469.567 2.469 30 10 JEEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 1300380436 BCPQTGIUYPBBCZ-INIZCTEOSA-N 467.555 2.184 30 10 JEEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1cccs1)[C@H]1CCS(=O)(=O)C1 1300482250 DXXCGEBFQBGFHG-KRWDZBQOSA-N 490.632 2.085 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCCCOc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1300491285 GHBVBUKRTYNMBI-HXUWFJFHSA-N 486.573 2.304 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@H]1CCN(CCC)C1)[C@@H]1CCS(=O)(=O)C1 1300504756 RMBWLOFMAXGBLN-VQTJNVASSA-N 489.617 2.355 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1300788567 DOSJIHFSZJCXIY-WZONZLPQSA-N 473.599 2.378 30 10 JEEE C=C(Br)Cn1c(N2CCN(CCOCC)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1300862748 DIQDRWPNMJTTTC-HXUWFJFHSA-N 472.428 2.386 30 10 JEEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCN1CCOCC1(C)C 1301271672 ZHUVHUCVQITOKO-UHFFFAOYSA-N 461.636 2.280 30 10 JEEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(NC(=O)C(C)C)CC1 1301435921 ALVDUJBQGFFTQL-UHFFFAOYSA-N 460.604 2.122 30 10 JEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N(C)[C@@H](C)c1ccc([S@](C)=O)cc1 1301509254 DMIWVZSUVDIEHE-XHVUARLKSA-N 469.615 2.377 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCS(=O)(=O)C(C)(C)C)C1 1301542784 FRSCLQQBAZWREX-GCJKJVERSA-N 470.636 2.313 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1301585835 FNBSJQXUNUWWFQ-WBVHZDCISA-N 453.609 2.181 30 10 JEEE Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CC2(S(C)(=O)=O)CCC2)cc1C 1304424269 GCKFYENUZKHQFU-LJQANCHMSA-N 459.572 2.170 30 10 JEEE CN(CCC1CC1)c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)N1CCSCC1 1314838524 GCCITTCIZCKEHJ-UHFFFAOYSA-N 460.629 2.432 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1Cc1cc(C)on1)[C@H]1CCS(=O)(=O)C1 1358956168 BIMLOCZPQGOFMW-INIZCTEOSA-N 493.387 2.018 30 10 JEEE C#CCN1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2C[C@@H](C)SC)CC1 1359031049 OKJVGLXVQZNPJM-MRXNPFEDSA-N 461.661 2.053 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](c2ccco2)N(C)C)CC1 1359038994 SJYZEQQEYAGQFP-QFIPXVFZSA-N 459.554 2.380 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2Cc2ccccc2CN2CC[C@H](O)C2)CC1 1359040023 FJWSTLOSCOKURS-QHCPKHFHSA-N 478.641 2.156 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(OC(F)(F)F)cc2)CC1 1359044565 IZOYQTXYNOMPHL-SFHVURJKSA-N 490.486 2.142 30 10 JEEE C#CCSCCn1c(N2CCN(C(=O)OCC(C)C)CC2)nnc1[C@]1(OCC)CCOC1 1359061770 LUTFJIREDMEVMW-QFIPXVFZSA-N 465.620 2.211 30 10 JEEE C#CCSCCn1c(N2CCC(Cn3cncn3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1359061896 OYBFJTQHNHCBKA-JOCHJYFZSA-N 459.620 2.193 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CCN(CC(=O)NCC)CC1 1359092768 FZFZAHYIYKIOAN-NZQKXSOJSA-N 468.602 2.193 30 10 JEEE C=CC1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC(=O)N2CCOCC2)CC1 1359173020 RJJUJJAOPOWHIQ-UHFFFAOYSA-N 472.977 2.123 30 10 JEEE CCNS(=O)(=O)c1cccc(CNS(=O)(=O)c2ccc(Br)c(C#N)c2)c1 1463841738 FPQHAHCJEROEJA-UHFFFAOYSA-N 458.359 2.097 30 10 JEEE CC(C)Cc1nnc(NC(=O)CCC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)s1 1466735981 GEKDZWZQIZTCJZ-KGLIPLIRSA-N 450.565 2.331 30 10 JEEE C=C[C@@H]1OCC[C@H]1CNC(=O)c1cc(Br)cn(CCNC(=O)OC(C)(C)C)c1=O 1469215855 KJBHXVRGZOXFTC-BBRMVZONSA-N 470.364 2.456 30 10 JEEE C=CC[C@@H](NS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1)C(=O)OCC 1475186199 WMQLHWSGJNKVFU-JTDSTZFVSA-N 458.602 2.139 30 10 JEEE C#C[C@H]1COCCN1C(=O)NC[C@H]1CCCN1Cc1ccc(I)cc1 1478524887 CFBLXLZCBGZAHA-ZWKOTPCHSA-N 453.324 2.299 30 10 JEEE CN(C)C(=O)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1503363730 GLTLYKFJBMWJHV-JOCHJYFZSA-N 495.628 2.146 30 10 JEEE CN(CCNS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(C)OCCc2sccc21 1503621543 GWDNGZOTPJZKDV-JOCHJYFZSA-N 486.623 2.352 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1Cc1cccc(OCC(=O)N(C)C)c1 1507543150 OHJPUGSXJDGJLT-QGZVFWFLSA-N 480.594 2.243 30 10 JEEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1507604730 GPBYHIWPVJLDQH-IBGZPJMESA-N 494.003 2.432 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1cc(C(C)(C)C)no1)[C@@H]1CCS(=O)(=O)C1 1507634442 KJSUQCWHLGDUNU-GOSISDBHSA-N 468.583 2.224 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCS(=O)(=O)CC2CC2)CC1 1507721713 LLEHKQHOTGPWEF-GOSISDBHSA-N 475.590 2.137 30 10 JEEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2CCN(C)CC(F)(F)F)CC1 1507729235 ZIZANSXKFRNXEF-UHFFFAOYSA-N 464.536 2.321 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1507805216 OINKDDQCXAYYQL-WIOPSUGQSA-N 481.645 2.236 30 10 JEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccnc(OC(F)F)c2)CC1 1507897540 ROOCBAQKATXAFG-CYBMUJFWSA-N 456.519 2.335 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCCN(CC(C)C)C2)CC1 1507902504 KGOKJKPGVGHXQS-FCHUYYIVSA-N 494.706 2.381 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)C1CCN(CCC)CC1 1508086913 MOZHSKJKHSJFPA-UHFFFAOYSA-N 492.628 2.288 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(CN3CCC(O)CC3)cc2)C1 1508109862 VYJASKAQGVFMBH-QHCPKHFHSA-N 482.629 2.203 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1508133433 JFQAHPAGDLGQHA-PMACEKPBSA-N 457.600 2.356 30 10 JEEE CC(C)COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC2CC2)CC1 1509445572 ATWFKKSJSOSPHT-UHFFFAOYSA-N 465.558 2.258 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(=O)N1CCCCC1 1539017010 XDYGIMZQVWUTCP-RBUKOAKNSA-N 474.606 2.447 30 10 JEEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1539088936 BERXDAJFMCFDJA-UHFFFAOYSA-N 461.574 2.011 30 10 JEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CCCNC(=O)OC(C)(C)C 1539413468 JPTAMEDKPRWQDF-UHFFFAOYSA-N 460.535 2.007 30 10 JEEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2CC(=O)NC2CCCCC2)CC1 1539454503 QOCVXAAIXMSLOA-UHFFFAOYSA-N 464.614 2.276 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](COc2ccccc2)C1 1539518037 VFRNHURMUKYTIT-RTBURBONSA-N 460.625 2.452 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCC(C(=O)N2CCCC2)CC1 1540864454 AMMLMPAGKDOKLT-UHFFFAOYSA-N 452.559 2.095 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(Cc2cnc(C)s2)CC1 1540866019 AAMVJLGMQUSQKO-UHFFFAOYSA-N 497.625 2.352 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 1540873005 JNYVLJCHRANJOZ-SFHVURJKSA-N 455.563 2.060 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC(C(=O)c3ccc(O)cc3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1540875887 AQVVEDKSDIXFTH-AREMUKBSSA-N 497.596 2.426 30 10 JEEE C=CCSCCn1c(Cc2ccncc2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1540918980 BAXRWYKNQCRFNM-UGKGYDQZSA-N 469.659 2.172 30 10 JEEE C=CCN1CC[C@@H](N(C)C(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2N(C)C)C1=O 1562063627 ALNHMUKIGWTWIJ-LJQANCHMSA-N 451.593 2.034 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCS(=O)(=O)CC 1587621087 OCQHEEIYLQFURU-MRXNPFEDSA-N 456.572 2.129 30 10 JEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1cccc(SCC)c1)[C@@H]1CCS(=O)(=O)C1 1588025344 XDCZMTBRCJFKIL-LJQANCHMSA-N 487.651 2.301 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(NC(N)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1588041528 XHFHWGVMWUCGIS-GOSISDBHSA-N 499.984 2.159 30 10 JEEE C#CCN(c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(C)CC1)[C@@H]1CCS(=O)(=O)C1 1588058865 DSTXMBDIYPDOHV-QZTJIDSGSA-N 493.630 2.013 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1588162455 TWURHRHUICZCIT-FYYLOGMGSA-N 492.605 2.006 30 10 JEEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCC2CCN(CC(F)(F)F)CC2)CC1 1588800681 MRGJFXSBEYXMBE-UHFFFAOYSA-N 464.540 2.098 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1589485386 YYKBFRNOQARABO-AQNXPRMDSA-N 458.607 2.188 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](Oc2ccccc2Cl)C1 1593636641 OZLUQNMSZSKWKU-VQIMIIECSA-N 482.006 2.498 30 10 JEEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)Nc2ccccc2CC)CC1 1593660431 MTLAXJSLTIJPFR-UHFFFAOYSA-N 465.602 2.300 30 10 JEEE C=CCCOCCn1c(-c2ccccc2C)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1594798264 PKSRRHPAGUEDKG-GOSISDBHSA-N 450.547 2.378 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1595506957 RTXHUBMAYMOKLS-OAHLLOKOSA-N 482.507 2.337 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1CCC1 1595659136 SZWBGWIXTPNDPI-FQEVSTJZSA-N 461.588 2.213 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N(C)Cc1ccc2c(c1)OCCO2 1595784506 HJQMZDZTCUOXDN-UHFFFAOYSA-N 455.540 2.349 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1595804531 BLVQSVVTEYAAHV-HXUWFJFHSA-N 473.643 2.471 30 10 JEEE CC(C)(C)S(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1597693355 AKDRIHULYPEDBL-GOSISDBHSA-N 479.628 2.043 30 10 JEEE COc1cc(OC)c2c(c1Cl)O[C@]1(C(=O)C=C(NC3CCN(S(C)(=O)=O)CC3)C[C@H]1C)C2=O 1615244977 SHUTZBLPONYWPA-VERVWZFWSA-N 498.985 2.178 30 10 JEEE CCN(CC)[C@@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1615347601 AFRMWJZTXRXKLS-AZUAARDMSA-N 473.647 2.313 30 10 JEEE N#Cc1ccc(OCc2nnc(N3CCC(F)(F)C3)n2C[C@@H]2CCCS(=O)(=O)C2)cc1 1620351729 FDLBPTAUQTWWHR-INIZCTEOSA-N 451.499 2.399 30 10 JEEE C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)NCCNC(N)=O)ccc1Cl 1631253053 FOKZDVMWFRWHFD-UHFFFAOYSA-N 454.911 2.259 30 10 JEEE C#C[C@@H](NC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1)c1ccc(Cl)cc1F 1636311906 IVMTYWHPAIOXGF-ZMYBRWDISA-N 454.882 2.233 30 10 JEEE N#Cc1ccc(O[C@@H]2CCN(C(=O)CS(=O)(=O)c3cccc(Br)c3)C2)nc1 1641702093 BOYNDPRPLDCCGM-OAHLLOKOSA-N 450.314 2.169 30 10 JEEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCOC[C@@H]2c2noc(-c3ccccc3)n2)c1 1668530679 DCIILPOYTDUZRR-LJQANCHMSA-N 454.508 2.415 30 10 JEEE C#CCN(C(=O)Nc1ccc(=O)n(CC(N)=O)c1)[C@H]1CCOc2ccc(Br)cc21 1671525402 LTWDEGUNEGQCGI-INIZCTEOSA-N 459.300 2.087 30 10 JEEE C#CCCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1689893098 UHNNUFVJPZVNBX-FXAWDEMLSA-N 459.572 2.064 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCCCO2)n1Cc1ccccc1S(=O)(=O)N(C)C 1690045996 VAJKTRJVUVYPEU-HXUWFJFHSA-N 455.584 2.281 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccccn3)n2Cc2cccnc2OCC(F)(F)F)CC1 1690119658 NHBPDQJOKGLGTF-UHFFFAOYSA-N 457.460 2.480 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCC(=O)NC(C)(C)C)CC1 1690154451 OLKABBCSPAQRGH-TZIWHRDSSA-N 486.661 2.467 30 10 JEEE C[C@H](C#N)CN(C)c1nnc(CNC(=O)c2cccs2)n1CCS(=O)(=O)c1ccccc1 1691008122 DZLOKMSENDHGJN-MRXNPFEDSA-N 472.596 2.339 30 10 JEEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCCC2(CCOCC2)C1 1696501160 CAAZXIXQOXNGKQ-UHFFFAOYSA-N 458.588 2.153 30 10 JEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CCCO[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1705559767 BDMFBAOLCFQWQZ-PMACEKPBSA-N 479.002 2.421 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@H]1CCSC1)[C@H]1CCS(=O)(=O)C1 1705563100 QTELURUETCRHHH-SJORKVTESA-N 476.624 2.342 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H]1CC[C@]2(CCOC2)O1 1705625117 XJXFBZYOONTMJO-NTKDMRAZSA-N 456.543 2.386 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2CCCN2C[C@@H](C)O[C@H](C)C2)CC1 1705647426 DPDZRSPOVZBMPP-WOJBJXKFSA-N 456.635 2.401 30 10 JEEE C=CC1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCCS(C)(=O)=O)CC1 1705777296 DJRQZGXPEDIGKC-UHFFFAOYSA-N 481.644 2.033 30 10 JEEE C=CCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 1705891356 YUAXXARVYXQRSU-IBGZPJMESA-N 451.568 2.071 30 10 JEEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCCN(c2nccc(OCC)n2)CC1 1705904429 PDQYXCHSYDLCGM-UHFFFAOYSA-N 456.595 2.074 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccnc3)n2CC2(NC(=O)OC(C)(C)C)COC2)C1 1705918943 TYZNWZILTSIOJM-GOSISDBHSA-N 456.547 2.415 30 10 JEEE C=CCSCCn1c(Cn2ccc3ccccc32)nnc1N1CCN(C(=O)COC)CC1 1705948519 WAAHVEURHRAZAL-UHFFFAOYSA-N 454.600 2.495 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1cccc(OC)c1)N1CCCC1 1722296274 OREFHSSISIZIDL-RCZSKKKRSA-N 471.627 2.484 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@H]1NC(=O)CC1(C)C 1722303440 ZGPVXWDNYYRQIP-IRLDBZIGSA-N 463.630 2.015 30 10 JEEE C#CCN(c1nnc(CC)n1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1 1722365824 FVJLETUEIDFFPO-MSOLQXFVSA-N 465.620 2.114 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccccc2Br)n1CCS(=O)(=O)N(C)C 1722394065 PQOCUBFADUCLPT-UHFFFAOYSA-N 464.389 2.062 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2CCNC(=O)c2ccc(C)c(F)c2)CC1 1722447575 KFPLVKAANLGUPI-UHFFFAOYSA-N 466.561 2.389 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1722509928 RFPSIZNXCICYMB-NCYKPQTJSA-N 493.674 2.150 30 10 JEEE C=C(Cl)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1722551785 GPSMKMLUUMCNHV-IBGZPJMESA-N 460.966 2.190 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CCOC)Cc1ccc2c(c1)OCO2 1722554790 HQHZCBHPADQLNL-MRXNPFEDSA-N 468.963 2.314 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](C)N(C)C 1722682046 WQQTVQRMBWSYAK-ROUUACIJSA-N 452.600 2.175 30 10 JEEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2ccc(OC(F)F)cc2)C1 1722683028 ZTEIBJOZSYMLAZ-BBRMVZONSA-N 457.503 2.254 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 1722700863 XKVBGLSDIHTZPF-QGZVFWFLSA-N 455.563 2.012 30 10 JEEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1722701429 PLYMYHLEECOKGU-KRWDZBQOSA-N 480.535 2.447 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCCNC(=O)OC(C)(C)C)C1 1722718907 OOZSCKGTLULCGN-ROUUACIJSA-N 483.635 2.266 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(C(C)=O)C[C@H]1C 1722723995 KIYHTVCLTNXHGO-OAHLLOKOSA-N 483.541 2.204 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC(CN(C)C(C)C)CC1 1722728877 ZJJRUWFLVSZISG-HXUWFJFHSA-N 453.653 2.330 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1722731901 SBRUFQQRFDDQSU-WZONZLPQSA-N 494.589 2.371 30 10 JEEE CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCN1CCCC(C)(C)C1 1729064927 FGKCBOPZZQENBJ-UHFFFAOYSA-N 469.638 2.177 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2Cc2cn3ccsc3n2)c1 1740562875 RRQLGGLRWQIPBE-UHFFFAOYSA-N 476.566 2.230 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2C[C@H]2CCCCS2(=O)=O)c1 1740564819 YNTFAZYQXJAQKP-JOCHJYFZSA-N 492.605 2.287 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1740616700 FOYNBFMGQHXLDG-MXBUBSDBSA-N 464.632 2.382 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1CCCCCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1740620908 HSRFIYSUNJTSFW-FQEVSTJZSA-N 458.632 2.176 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccccc1Br)[C@H]1CCS(=O)(=O)C1 1740627038 OCRPUDGIZGWYSM-SJORKVTESA-N 479.400 2.220 30 10 JEEE C#CCN(c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(C)C)[C@H]1CCS(=O)(=O)C1 1740627407 QHGPPGHAAYVBAO-RBUKOAKNSA-N 495.646 2.259 30 10 JEEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(NC(=O)N(C)C)cc1 1740631938 NHHFTLUIJBNZJK-XMMPIXPASA-N 450.543 2.145 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC(=O)NC(C)C 1740652869 PYUKPWCXDBNDDI-UHFFFAOYSA-N 459.554 2.223 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)c1ccc2c(c1)OCCO2 1740671225 BJHHFJKFZCCKTF-KRWDZBQOSA-N 458.584 2.389 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1740699791 TXZTVOSAJXHJDA-OAQYLSRUSA-N 471.627 2.054 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2Cc2cccc(-n3cncn3)c2)CC1 1740705347 FXLIBZAVFGIZBD-UHFFFAOYSA-N 460.586 2.462 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2F)n1C[C@H]1CC(=O)N(CCOC)C1 1740734925 QRRMRECJRKZBSP-MHECFPHRSA-N 455.534 2.483 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@H](c2ccc(F)cc2)C1 1740950711 FCVGODDLDOFDLC-IBGZPJMESA-N 458.538 2.216 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2C[C@](C)(O)C(C)C)C1 1740979424 JAFSNIYTHCPRAI-XDHUDOTRSA-N 452.559 2.380 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1740990334 REKLVEPYIJTUCE-GDBMZVCRSA-N 459.494 2.405 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H]1c1ccc(OC)cc1 1740990741 DWCAEVSDGUGTBV-RTBURBONSA-N 459.572 2.180 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CC[C@@](O)(c2ccc(F)cc2)C1 1740991508 XYPMDIOZEVDSDG-UGKGYDQZSA-N 464.563 2.358 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1740993024 ROHVAFVWPIVMME-UHFFFAOYSA-N 494.687 2.318 30 10 JEEE Cc1nn(C)c(N2CCN(c3nnc(CC(C)C)n3Cc3c(C)nn(C)c3C)CC2)c1C#N 1742668613 DMTASPZGFPDMAL-UHFFFAOYSA-N 450.595 2.115 30 10 JEEE CCN1CCN(CCCn2c(-c3ccc(Cl)cc3F)nnc2N2CCO[C@H](C#N)C2)CC1 1746467228 CIPBFVKORWXPRT-GOSISDBHSA-N 461.973 2.494 30 10 JEEE C#CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCn2nc(C)nc2C1 1748717761 HWEIYQWCIVYRSY-GOSISDBHSA-N 470.578 2.310 30 10 JEEE C#CCCCCn1c(Cc2ccsc2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1748719304 WUCUNASUKATDFB-UHFFFAOYSA-N 474.612 2.374 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1CC(C)(C)N1CCC(OC)CC1)[C@H]1CCS(=O)(=O)C1 1748802097 KYDNSZRNDITXBX-SFHVURJKSA-N 465.664 2.092 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CC[C@@H](C)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1748818790 GLLOOHKKDBLQEW-IFMALSPDSA-N 470.643 2.155 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2ccncc2)n1C[C@@H]1C[C@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1748852555 GXITYBUZQZAZKM-FDFHNCONSA-N 476.581 2.361 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(OCC(C)C)c1 1748892229 LOWHIOHQSYLSLS-HSZRJFAPSA-N 499.637 2.157 30 10 JEEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1748992644 CQBDMRLNPBIUET-LJQANCHMSA-N 456.541 2.161 30 10 JEEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2CC[C@@H](C(F)F)N2CCOCC2)CC1 1748994718 OIHSMJSMRWGANM-QFIPXVFZSA-N 472.584 2.175 30 10 JEEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@H](C(C)C)C1 1749032323 CNUUMLHZBQWORJ-IBGZPJMESA-N 452.584 2.420 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1749659558 HBJSMDRDBMBAKZ-UHFFFAOYSA-N 478.553 2.428 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@@](C)(OC)C1 1749727234 QOMFXHWGMXADFG-JOCHJYFZSA-N 462.572 2.322 30 10 JEEE CC(C)N(C)CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCO[C@@H](C#N)C1 1750883994 HRGQLCWVZTZPDZ-IBGZPJMESA-N 461.611 2.462 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1cccnc1OCCOC 1760102755 PUDCVJSHGYJEMD-KRWDZBQOSA-N 469.567 2.275 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCCO3)n2C[C@@](C)(O)CCOC)c1 1760128349 GEHKEAFEMSFQDH-YKSBVNFPSA-N 455.559 2.363 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1CC[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1760181029 OMCVYFAVOQHYGC-PKOBYXMFSA-N 474.583 2.016 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC(=C)Br)CC1 1760266105 PYWQCIYWIJYEAB-NRFANRHFSA-N 480.407 2.193 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3CC)n2CC2(C(N)=O)CCCC2)CC1 1760272874 BVNCEXSMDPQRRQ-UHFFFAOYSA-N 492.624 2.431 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cnn(C)c1 1760295041 MKAAUXVNGJBMNO-WZONZLPQSA-N 455.563 2.360 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)N1CCc2ccccc21 1760338124 YPDJZLRIIGONQG-DENIHFKCSA-N 488.658 2.465 30 10 JEEE C=CCN(CCOC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC(=O)N(C)C 1760503245 DDEJTWBPTPVHBH-UHFFFAOYSA-N 450.584 2.120 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCN(C(=O)OCC(C)C)CC1 1760528080 RFPWCAGFJZDPOH-UHFFFAOYSA-N 474.537 2.213 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@H](CC)C1 1760551032 RFDGSBMAOVTXND-KRWDZBQOSA-N 480.660 2.384 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1760551837 SVFMZSUTLZOINN-LJQANCHMSA-N 472.571 2.378 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCC(CC#N)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1760558536 RNAYFRDQALRWNH-OAQYLSRUSA-N 451.593 2.050 30 10 JEEE CCNC(=O)C1(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCO[C@H](C#N)C2)CCC1 1765608993 AVIOUBGVRZLLBV-CQSZACIVSA-N 462.352 2.071 30 10 JEEE N#Cc1ccc(NC(=O)[C@H]2CCN(C(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)C2)cc1 1858375876 GJPWNFPUEIFERF-IBGZPJMESA-N 452.536 2.444 30 10 JEEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc3c(c2)OCCO3)c1 1862704561 CRWMSXBOMKUUJA-QHCPKHFHSA-N 480.517 2.377 30 10 JEEE CC[C@@H](C)[C@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O 1869935018 YPALPDGOFJVVHV-XIKOKIGWSA-N 454.508 2.004 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccc(C(=O)OC)o2)cn1CCN1CCOCC1 1870558243 ZNNWHVGRYXHEGE-UHFFFAOYSA-N 471.554 2.313 30 10 JEEE C=CCn1cc(OCc2n[nH]c(=N)s2)c(=O)cc1CN1CCN(c2ccc(F)cc2)CC1 1870576327 WMDZEQVVOWUTGP-UHFFFAOYSA-N 456.547 2.339 30 10 JEEE C=CCN=c1nc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)[nH]c(=Nc2cccc(NC(C)=O)c2)[nH]1 1871532221 PRNZHXUEYXLAAU-UHFFFAOYSA-N 489.540 2.250 30 10 JEEE CCCCCCCCN=c1nc(N2CCN(CCO)CC2)[nH]c(=Nc2ccc(OC)c(OC)c2)[nH]1 1871540749 BCMFGXIMVJVUKL-UHFFFAOYSA-N 487.649 2.363 30 10 JEEE COCCc1nnc(SCC(=O)OC)n1/N=C/c1cc(Br)cc(OC)c1O 1874473283 WFTAVDFLKAKYAY-QGMBQPNBSA-N 459.322 2.091 30 10 JEEE COc1cc(N2CCN(C(=O)[C@@H]3SCC(=O)N(C(C)C)[C@H]3c3ccc(C#N)cc3)CC2)nc(C)n1 1889715728 RBEGIWAUULTIDQ-BJKOFHAPSA-N 494.621 2.408 30 10 JEEE CC(C)N1C(=O)CS[C@H](C(=O)N2CCC(NS(=O)(=O)C3CC3)CC2)[C@@H]1c1ccc(C#N)cc1 1891402097 SEFVFCOMUBIOLB-VXKWHMMOSA-N 490.651 2.025 30 10 JEEE C=C(Br)CS(=O)(=O)N1CCC(N2CCN(C(=O)OC(C)(C)C)CC2)CC1 2118091106 QSBVYGWYAKHAAR-UHFFFAOYSA-N 452.415 2.242 30 10 JEEE C#C[C@@H]1COCCN1C(=O)c1cc(I)cc(I)c1O 2228819470 UIXROYMWNVJMHA-SECBINFHSA-N 483.043 2.076 30 10 JEEE C#CC(CO)(CO)NC(=O)[C@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 2245476868 PGQCJEJEFZLTBE-QHCPKHFHSA-N 450.535 2.413 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CC[S@@](=O)(=NC(=O)c2occc2B2OC(C)(C)C(C)(C)O2)C1 2255812571 JABCQKAYESSDBS-QJCAQRTLSA-N 454.354 2.484 30 10 JEEE CC1(C)OB(c2scnc2CS(=O)(=O)N2CCN(Cc3ccccc3)CC2)OC1(C)C 2255940997 FGOYOIHRVBPNEX-UHFFFAOYSA-N 463.434 2.090 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]1CNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2255955660 RKNYZIOUZPGIHE-CABCVRRESA-N 472.438 2.380 30 10 JEEE C[C@@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)O)c1cscc1B1OC(C)(C)C(C)(C)O1 2256622404 GXGBSNAPVAJMKK-XJKCOSOUSA-N 454.398 2.499 30 10 JEEE CC(C)(C)OC(=O)NC1(CNC(=O)c2cc(F)ccc2B2OC(C)(C)C(C)(C)O2)COC1 2266985205 RINXRCOUGYZQGK-UHFFFAOYSA-N 450.316 2.148 30 10 JEEE CO[C@H]1C[C@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)N(C(=O)OC(C)(C)C)C1 2267145301 CQPWXMUVERLXGQ-KGLIPLIRSA-N 467.397 2.197 30 10 JEEE CN(CC1CN(C(=O)OC(C)(C)C)C1)C(=O)c1nn(C)c(Cl)c1B1OC(C)(C)C(C)(C)O1 2267189084 VQVYTNKSZCSWJB-UHFFFAOYSA-N 468.791 2.312 30 10 JEEE CN1CCN(C(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)[C@H](CNC(=O)OC(C)(C)C)C1 2267282835 HOCDFRAOFOFCJZ-OAHLLOKOSA-N 465.425 2.328 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)[C@@H]2COC[C@@H]12 2267287688 XMAODCVULSGRPW-NUEKZKHPSA-N 464.393 2.411 30 10 JEEE C=C(CS(=O)(=O)N1C[C@H](NC(=O)OC(C)(C)C)C[C@@]12CCOC2)B1OC(C)(C)C(C)(C)O1 2267467970 HAXHYWGYMXIXEB-IIBYNOLFSA-N 472.413 2.262 30 10 JEEE COC1(CCNC(=O)OC(C)(C)C)CN(C(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)C1 2267551161 JCLYCBNOXRQVGY-UHFFFAOYSA-N 467.397 2.198 30 10 JEEE CC(C)[C@H](CNS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1)NC(=O)OC(C)(C)C 2267705490 YJMKOMPYEHWGHF-KRWDZBQOSA-N 469.413 2.208 30 10 JEEE CN(CCCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(O)cc1O)C(=O)OC(C)(C)C 2267805029 DGBGJDMCRBPMAD-UHFFFAOYSA-N 450.341 2.384 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)Nc2ccc(Cl)c(B3OC(C)(C)C(C)(C)O3)n2)C1 2268786770 RRFNPMCTWICWAE-NRFANRHFSA-N 467.759 2.345 30 10 JEEE COC1(CNC(=O)c2ccc(F)cc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2281777834 LRQBIWWYVKGANI-UHFFFAOYSA-N 464.343 2.491 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2c(F)cccc2B2OC(C)(C)C(C)(C)O2)[C@@H](O)C1 2281784067 SXHJGAFWBYHZCE-SJORKVTESA-N 464.343 2.225 30 10 JEEE CO[C@H]1C[C@H](CNC(=O)OC(C)(C)C)N(C(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)C1 2281797177 QYGLFBUMQFLFKD-CVEARBPZSA-N 461.368 2.135 30 10 JEEE C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1N(C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2282061832 PTUXEHAAITZEEB-DOTOQJQBSA-N 462.400 2.437 30 10 JEEE CC(C)(C)OC(=O)N1CCN(CCNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CC1 2282179387 MCUHRXKWGTUERH-UHFFFAOYSA-N 459.396 2.268 30 10 JEEE C[C@@H]1CCN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C[C@@H]1NC(=O)C(F)(F)F 2282536106 YDQKPQUGPJLJPT-RISCZKNCSA-N 459.249 2.049 30 10 JEEE CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CCCN(C(=O)C2(B3OC(C)(C)C(C)(C)O3)CC2)C1 2282545078 PYSLONLPBITOAX-INIZCTEOSA-N 465.400 2.492 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](CO)C1 2282592930 JYIUAGQADJOFME-LSDHHAIUSA-N 481.424 2.098 30 10 JEEE CC1(C)OB(c2c[nH]c(C(=O)N3CCC[C@@H]4CC[C@]43CNC(=O)C(F)(F)F)c2)OC1(C)C 2282636223 JWRJYCYDKKWZMF-XCLFUZPHSA-N 455.286 2.377 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)s3)C[C@@H]2[C@@H]1CO 2282668805 KRSFAFROVKXEEH-JYJNAYRXSA-N 478.420 2.347 30 10 JEEE CC1(C)OB(c2cscc2S(=O)(=O)NCC2(O)CCN(Cc3ccccc3)CC2)OC1(C)C 2282871650 KBZUNPNKFIGSNF-UHFFFAOYSA-N 492.472 2.353 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1CCc2sc(B3OC(C)(C)C(C)(C)O3)cc2C1 2283971031 NVRMSFQFAYPNFR-HZPDHXFCSA-N 478.420 2.302 30 10 JEEE CCOc1ccc(Cc2nnc(SCC(N)=O)n2N=Cc2ccc(O)c([N+](=O)[O-])c2)cc1 2328565191 RDGKEJNHEXBIMF-UHFFFAOYSA-N 456.484 2.341 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 2362347859 KPKRBLDSYZXTHH-VWLOTQADSA-N 450.392 2.458 30 10 JEEE Cc1c(C(=O)N[C@H]2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2366854651 TWKPAAOIROHOFT-JYJNAYRXSA-N 460.384 2.155 30 10 JEEE N#Cc1ccccc1CO[C@]1(C(=O)NC2CC2)C[C@H](OCc2cccc(F)c2F)[C@H](O)[C@H](O)C1 37423566 IAJQEQOZJVZXLK-BEZYRKKYSA-N 472.488 2.471 30 10 JEEE COc1cc(OC)c([C@@H]2/C(=C(/O)c3ccncc3)C(=O)C(=O)N2CCCN(C)C)cc1OC 103107731 JPBZBIXLYVNMLE-SADKCHQCSA-N 455.511 2.481 30 10 JEEE CCOc1ccc([C@H]2/C(=C(/O)c3ccc([N+](=O)[O-])cc3)C(=O)C(=O)N2CCOCCO)cc1 103126187 MMBJMPORIYBMPK-LCPUNJGISA-N 456.451 2.424 30 10 JEEE CNCCN1C(=O)[C@H]2[C@H](C1=O)[C@@](Cc1ccc3ccccc3c1)(C(=O)O)N[C@H]2c1ccccc1C#N 247956832 DBBLPGLIBFRENK-IMBSWCNGSA-N 482.540 2.242 30 10 JEEE 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[N+](C)(C)C 253529597 VNLJJMSFFPPDPE-IQJRQKNWSA-N 462.607 2.039 30 10 JEEE C=CCN(CC(=O)NN1C(=O)N[C@](CC)(c2ccccc2)C1=O)Cc1cccc([N+](=O)[O-])c1 745169450 OVECBTVQUJWPFL-HSZRJFAPSA-N 451.483 2.471 30 10 JEEE C#CCN(CC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCCC2)c1)C(=O)OC(C)(C)C 1156184203 XIMNPTOJYZOEQX-UHFFFAOYSA-N 451.545 2.289 30 10 JEEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCN(c3cc(Cl)ccn3)CC2)CC1 1197936802 AVVYQZSATJOPBH-OAQYLSRUSA-N 456.953 2.405 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H](C)CN1CCOCC1 1286275456 SEWNIKSWNYHDCI-MSOLQXFVSA-N 458.994 2.288 30 10 JEEE C#CCCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1286353998 DTUSSKAQMPWJAO-SFHVURJKSA-N 452.588 2.445 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1Cc1c(CC)noc1C)[C@@H]1CCS(=O)(=O)C1 1286394922 YHHFNRVGHVCVHV-QGZVFWFLSA-N 459.597 2.464 30 10 JEEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1Cc1cnn(CC)c1)[C@H]1CCS(=O)(=O)C1 1286398224 WNCUBZDUFDLIAA-NRFANRHFSA-N 482.610 2.365 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H](c1ccc(C)cc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1286398734 NUKWPMIKISKXFZ-FDFHNCONSA-N 471.627 2.368 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccc3C)n2C[C@]2(C)CN(C)C2=O)n1 1286471583 NKAOSVSWNHRBBU-VWLOTQADSA-N 461.570 2.215 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCC(=O)N[C@@H](C)CC)CC1 1286485635 SAMFPJPAPHFQFL-PMACEKPBSA-N 487.649 2.410 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[C@@H]2CCOC2)CC1 1286487226 DUARZGRHNSJUGM-OAHLLOKOSA-N 475.391 2.428 30 10 JEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1286495527 YJWICBCLJPEKMH-INIZCTEOSA-N 450.609 2.228 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CCO[C@]2(CCOC2)C1 1286782590 ZDRARKMKOWNFRF-GOSISDBHSA-N 468.377 2.067 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1286817171 QNWKFDYUEBGDJE-PZJWPPBQSA-N 489.642 2.102 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1286823173 LLFHZXMZBVKZOB-WMZHIEFXSA-N 476.599 2.151 30 10 JEEE C=CCS(=O)(=O)CCn1c(CSc2ccccc2OC)nnc1N1CCOC[C@H]1C 1286823774 QVYUNUFOYFPYJY-MRXNPFEDSA-N 452.602 2.405 30 10 JEEE CN(C(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CCC#N)CC1CC1)C1CCCCC1 1297934758 DYEHAUQBXVTCNC-SFHVURJKSA-N 462.620 2.101 30 10 JEEE COc1ccc(OCc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H]2CCCS(=O)(=O)C2)cc1 1300280595 GGFYFYVABHFKEQ-KKSFZXQISA-N 463.535 2.132 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1cc(C)ccc1OC(F)F)[C@@H]1CCS(=O)(=O)C1 1300496127 OGTVRDBBOUISBT-SJLPKXTDSA-N 480.537 2.367 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCc1cc(OC)ccc1OC)[C@H]1CCS(=O)(=O)C1 1300496288 PIZKTGZSFQHQCK-UXHICEINSA-N 488.610 2.059 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@@H]1CCCN1CC)[C@H]1CCS(=O)(=O)C1 1300498505 KRIKOYWPTNREMG-ROUUACIJSA-N 477.581 2.258 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@@H]1CCC=CO1)[C@@H]1CCS(=O)(=O)C1 1300499959 ZVHNATZPRKHPIH-SJORKVTESA-N 462.522 2.467 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1Cc1cccc(CN2CCO[C@H](C)C2)c1 1300671719 NMEOUQVUYHHXGM-NFBKMPQASA-N 453.587 2.137 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](OCC)c2ccccc2)CC1 1300710780 LBFCUTCBICBJMX-JOCHJYFZSA-N 478.597 2.258 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](OC)c2ccc(Cl)cc2)CC1 1300729238 RPXMSVDNFGESQC-OAQYLSRUSA-N 499.015 2.407 30 10 JEEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1300863635 QIRGPXLDZOADLJ-UAGQMJEPSA-N 467.368 2.222 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2noc3c2COCC3)nnc1N(C)CC(=O)NC(C)(C)C 1300880264 HQIUOSIYGLSPNP-MGPUTAFESA-N 458.563 2.338 30 10 JEEE C=C(C)COCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1300999610 DYTRRIVGJKBKQQ-HSZRJFAPSA-N 493.612 2.064 30 10 JEEE C=C(C)COCCn1c(CSc2ccc(C)cc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1300999807 GVZPUDHDDQWEHX-UHFFFAOYSA-N 498.653 2.399 30 10 JEEE COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(N(C)C)CCCC2)CCO1 1301404140 CTJYSDJBRPEQSQ-OAQYLSRUSA-N 454.575 2.455 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1301514045 DOSOLTUKCPYCGN-FYYLOGMGSA-N 482.629 2.323 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1301576314 CNKHWTOTVFMBOC-QGZVFWFLSA-N 463.604 2.137 30 10 JEEE C=CCSCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCNC(=O)C1 1301611922 ILXBSPHRHLASBW-MRXNPFEDSA-N 450.609 2.248 30 10 JEEE N#CCCN(CC1CC1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCN(CC(F)(F)F)C1 1303012623 GNFPQPKHJOFBNF-DLBZAZTESA-N 474.553 2.194 30 10 JEEE CC[C@@H](c1ccccc1)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCS(C)(=O)=O 1305673923 GYWQIOGRUPHACK-ICSRJNTNSA-N 494.625 2.241 30 10 JEEE CC[C@H]1CCCCN1CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)COC)CC1 1306322411 GWCMOSVAANKYMJ-QFIPXVFZSA-N 495.628 2.288 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCC(=O)N1CCCCC1 1358890099 KWPAWDHFVPHCBU-LJQANCHMSA-N 450.591 2.313 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCN1CCCO[C@@H](C)C1 1358976938 XTCLJLAJLOVZPT-NRFANRHFSA-N 487.608 2.249 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCCN1CCOCC1 1359016451 CKPIHRXAYKNTHM-NRFANRHFSA-N 489.617 2.072 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2ccccc2Cn2cccn2)CC1 1359047878 XBSVMXNZRAOVCK-UHFFFAOYSA-N 461.570 2.074 30 10 JEEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1359060286 QJQCAPWZQPLQKM-IERDGZPVSA-N 461.613 2.020 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1359083901 UAWXUJGYRNFZLR-QGZVFWFLSA-N 469.428 2.071 30 10 JEEE C=C(C)Cn1c(Cc2ccccc2F)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1359122597 FOOFLXINPHESSO-IBGZPJMESA-N 463.579 2.215 30 10 JEEE C=C(Cl)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1359144322 FHVOVIOQJTZZEJ-QRWLVFNGSA-N 452.964 2.485 30 10 JEEE C=C(Cl)Cn1c(N(C)CC(=O)N2CCOCC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1359156760 PFXQUBVBCZCADK-IYBDPMFKSA-N 468.986 2.096 30 10 JEEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1359183665 QTMGMSRJHJESBB-MRXNPFEDSA-N 461.592 2.046 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2OC)nnc1N1CCN(C(C)(C)C)CC1 1359335833 WIPQPONHBXDBQN-UHFFFAOYSA-N 477.631 2.387 30 10 JEEE CC(=O)N1CCN(c2nnc(C(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CC12CCCCC2 1359382324 GMTASNXOMZTIEX-XDOYNYLZSA-N 469.590 2.299 30 10 JEEE C[C@H](C#N)CN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@]1(O)CCSC1 1359476541 GVFGAAXUPPYNJT-HYBUGGRVSA-N 469.659 2.107 30 10 JEEE Cc1ccc(CNC(=O)C2CCN(C(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)CC2)cc1 1445079068 FAQIJMORYCJGBP-UHFFFAOYSA-N 453.564 2.337 30 10 JEEE CCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1 1448835135 CYFNJBUFDAOCSR-OAQYLSRUSA-N 454.552 2.120 30 10 JEEE CCN(CC)CCN(C(=O)CSc1nc(C)c(C)c(C)c1C#N)[C@@H]1CCS(=O)(=O)C1 1466156640 FTHSXJGILLJJMN-GOSISDBHSA-N 452.646 2.328 30 10 JEEE Cc1nn(C)c(N2CCN(c3nnc(-c4cccn4C)n3CCCN(C)C(C)C)CC2)c1C#N 1492727691 DEOARWJTNLHZHE-UHFFFAOYSA-N 464.622 2.254 30 10 JEEE CC[C@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1496224671 ALUHOWPLGJFYCL-IBGZPJMESA-N 478.601 2.459 30 10 JEEE C#CCCCn1c(N2CC[C@H]3CCNC(=O)[C@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1507596057 ALEMKAXOMUZLBT-YRXWBPOGSA-N 456.591 2.425 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCc1cccc(C(N)=O)c1 1507658488 BZALXXQVJSXQCE-OYRHEFFESA-N 476.581 2.463 30 10 JEEE C#CCN(CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCN1CCN(C)C(C)(C)C1 1507695097 UXTIYXNJHTZSQD-UHFFFAOYSA-N 492.716 2.128 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN1CCC[C@H](C)C1 1507707596 XWNBWJIIMAGZDC-IBGZPJMESA-N 459.616 2.167 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](CC)OC 1507711751 YYUWTCKUZDGALI-QZTJIDSGSA-N 451.568 2.098 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](c2ccccc2)N(CC)CC)CC1 1507716121 MWDHKBHKFNMHKU-QHCPKHFHSA-N 463.630 2.352 30 10 JEEE C#CCN1CCN(c2nnc(-c3noc4c3COCC4)n2CCCCNC(=O)OC(C)(C)C)CC1 1507723446 IXIKXFQLZHYGMX-UHFFFAOYSA-N 485.589 2.066 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cc(F)ccc2OC)CC1 1507733703 IVSHAYPAUSFMKC-UHFFFAOYSA-N 491.527 2.087 30 10 JEEE C#CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CC)[C@H](C)C1 1507750723 CLUQAHPQUVNONH-RTBURBONSA-N 478.663 2.483 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)CC)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1507804116 IPRIWMAYLXVKSV-QFUCXCTJSA-N 491.662 2.326 30 10 JEEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ncccc2F)CC1 1507836015 UCIJUFAMUXKOBL-UHFFFAOYSA-N 466.521 2.379 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N1CCN(CCOC(C)C)CC1 1508079589 ZRRSUMZLADYACW-UHFFFAOYSA-N 463.586 2.343 30 10 JEEE C=CCOc1ccc(Cn2c(-c3cnn(C)c3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)cc1 1508100899 QUMOSKVQAMOFCY-HXUWFJFHSA-N 456.572 2.305 30 10 JEEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H](C)[C@H]1CC 1508142660 FOKLRKINSCNCOB-HZPDHXFCSA-N 451.618 2.495 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CC[C@H]2OCCC[C@H]2C1 1508143269 FZXGPQXOYQYAOE-FUHWJXTLSA-N 451.618 2.240 30 10 JEEE CN(C)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1)c1cccc(F)c1 1517020478 FOXHHLIVOIAXNN-HGHGUNKESA-N 464.542 2.064 30 10 JEEE CN(C)S(=O)(=O)CCn1c(CC2CC2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1517028317 ANRJIWVTRCLSGL-UHFFFAOYSA-N 458.588 2.041 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2CCN2CCOC[C@@H]2C)c1 1539039659 DYFIUEUQWUCZBZ-IBGZPJMESA-N 459.554 2.117 30 10 JEEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1CCc1cnc2c(Cl)cnn2c1 1539193995 OZWMAXNHULCCLV-UHFFFAOYSA-N 454.947 2.278 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1CCN(C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1539211795 PCESPWAFZXLWFW-HXUWFJFHSA-N 450.568 2.103 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1CC[C@H]1C[C@H](F)C1)[C@H]1CCS(=O)(=O)C1 1539224208 DFHHUAHGJHUYNB-BQFCYCMXSA-N 451.593 2.399 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1539251290 AQRJSDVPWJXOOW-SFTDATJTSA-N 491.571 2.381 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(OC)ccc2Br)n1CCNS(=O)(=O)CC 1539304564 ABHZPYIZUBACNK-UHFFFAOYSA-N 494.415 2.118 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1C[C@H](F)CN1Cc1cccs1 1539326659 XSLCLGFTWROZOD-UFYCRDLUSA-N 489.642 2.317 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1[C@H]1C[C@H](c2cccc(F)c2)C1 1539368869 CHAQNPQHYQKNQL-MISYRCLQSA-N 461.563 2.328 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CC(F)(F)CO1 1539392282 NZNOOAVATDGYDA-WMZOPIPTSA-N 468.501 2.383 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnn(C)c3)n2C[C@H]2CCCSC2)n1 1539423740 FDFMHKUVGFQTEG-GOSISDBHSA-N 454.604 2.305 30 10 JEEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2CC[C@H](N2CCOCC2)C(F)(F)F)CC1 1539453754 DHVIWLWIDBQTEI-QFIPXVFZSA-N 490.574 2.472 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2CCO[C@@H]2C(=C)C)CC1 1539468924 JZAVSXDFHSEKRM-VRUMLPLGSA-N 485.629 2.266 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2CCCOC[C@H]2CCOC2)CC1 1539475309 BHOMFGJCSBPOCU-LJQANCHMSA-N 469.561 2.493 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2C[C@@H](C(C)C)N2CCOCC2)CC1 1539484606 WJXMBKOGYRTMOH-QFIPXVFZSA-N 484.670 2.253 30 10 JEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(OC)c(OC(F)F)c1 1540858405 VPWKLGWCIOBBLQ-QGZVFWFLSA-N 487.529 2.043 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)CCC2CCCC2)CC1 1540870249 IHVLWSTZUYEGOH-FQEVSTJZSA-N 458.607 2.441 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](c2ccc(C)o2)N2CCOCC2)C1 1540881540 LZAMJLHBOANSPT-UXHICEINSA-N 472.590 2.173 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](Cc2ccc(C#N)cc2)C1 1540897741 QWXVJORHPZZVKS-NRFANRHFSA-N 484.626 2.348 30 10 JEEE C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCNS(C)(=O)=O)N(C)C(=O)OC(C)(C)C 1541840078 CHQANGGFOCMLSJ-MRXNPFEDSA-N 491.618 2.058 30 10 JEEE COCCOCC(=O)N1C[C@@H](C(N)=O)[C@H](C2CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)C1 1548382340 COKWJQKFVCOFJB-RBUKOAKNSA-N 482.503 2.016 30 10 JEEE N#Cc1ccc(N2CCC([C@@H]3CN(C(=O)c4cc[nH]n4)C[C@H]3C(N)=O)CC2)cc1C(F)(F)F 1548382353 LBXQQIWZGIVDHO-DLBZAZTESA-N 460.460 2.390 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC23CC3)ccc1F 1586437045 ZSJHALRMFCMKHR-KRWDZBQOSA-N 453.536 2.419 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1C[C@@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1587569297 WOYUCCFGFVIQKE-MDFABALLSA-N 489.617 2.413 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1cc(Br)cs1)[C@H]1CCS(=O)(=O)C1 1588054917 PXZJGOLVDMGPLE-HIFRSBDPSA-N 485.429 2.281 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C)N(CC)C(=O)OC(C)(C)C)CC1 1588733751 ZKOGQIZSXGRKAZ-LJQANCHMSA-N 496.616 2.326 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCc2ncc(CC)s2)CC1 1588930545 YSZLKXKAZAOJMH-SFHVURJKSA-N 456.616 2.400 30 10 JEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1nc(O)c2ccccc2n1 1588968919 SBTFUVOISRDBIO-UHFFFAOYSA-N 451.556 2.166 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C)c(C)c2)CC1 1589070110 QMSILDCYMZCUIQ-HXUWFJFHSA-N 473.668 2.490 30 10 JEEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1593696252 MIHVEQSRJFIKMT-PMACEKPBSA-N 469.590 2.065 30 10 JEEE C=C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC[C@@H](C(F)F)N2CCOCC2)CC1 1594023501 JYFUAXNWFNWBIJ-PGRDOPGGSA-N 455.550 2.443 30 10 JEEE C=CCC(C)(C)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCNC(=O)C1 1594521189 LOQVXSPWFRVJCN-UHFFFAOYSA-N 451.619 2.181 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1ccccc1Cl 1595303157 MJDWKLXROCDXHN-HRAATJIYSA-N 469.007 2.380 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2cc(C(F)(F)F)ccn2)C1 1595672430 AWGJXLIGGPNSRI-RHSMWYFYSA-N 488.536 2.326 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Br)nnc1N1CCN(C(C)=O)C[C@@H]1C 1595778307 XRIFDYXYTVUTIC-HNNXBMFYSA-N 496.431 2.365 30 10 JEEE CC(C)(C)S(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1597693470 CILLCJGBOFDKFB-UHFFFAOYSA-N 480.598 2.147 30 10 JEEE C[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](C#N)C1)N(C)Cc1ccccc1 1611477181 CAAIJXMFTPUHSD-UYAOXDASSA-N 460.542 2.175 30 10 JEEE C[C@]12CC[C@@H]3[C@H](CC[C@@]4(O)C[C@@H](O)CC[C@]34/C=N/CCCO)[C@@]1(O)CC[C@H]2C1=CC(=O)OC1 1614466707 ZPYOXVKJNQBTTC-CDOXSXHKSA-N 461.599 2.153 30 10 JEEE COc1ccc(C[C@@H](CO)CNS(=O)(=O)c2cc(Br)ccc2C#N)cc1O 1661719174 HWTBJFZRLBBOCE-CYBMUJFWSA-N 455.330 2.164 30 10 JEEE N#Cc1ccc(S(=O)(=O)N2CCN([C@H]3CCCN(Cc4ccccc4)C3=O)CC2)cc1F 1663315373 CYLKYTHNZPRXOI-QFIPXVFZSA-N 456.543 2.195 30 10 JEEE C#C[C@H](NC(=O)N1CCN(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1)c1ccccc1 1683680512 DPOGYZLZLUCRAA-FQEVSTJZSA-N 455.559 2.361 30 10 JEEE C=C(C)[C@H](NC(=O)N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1)c1ccc(F)c(F)c1 1686174046 VROYWLACVJNFJG-IBGZPJMESA-N 453.515 2.340 30 10 JEEE C#CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1689921150 WHLPQEXMFIWKQW-QGZVFWFLSA-N 462.348 2.081 30 10 JEEE C#CCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC(CC(N)=O)CC1 1689935264 ALRBWAIIHBGMIY-UHFFFAOYSA-N 463.630 2.148 30 10 JEEE C#CCN(c1nnc(C2CCC2)n1C[C@@H](C)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1689989569 GXGCMQRLQUTCFP-WBVHZDCISA-N 451.593 2.086 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccc(OC(F)(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 1689991328 ZTHHUPKVEPFMQA-DLBZAZTESA-N 484.500 2.356 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H](C)Oc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1689993016 SVTPHBYCYLAKCI-WIYYLYMNSA-N 483.569 2.497 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1CCOC(C)C)[C@H]1CCS(=O)(=O)C1 1689996999 UBHYIPYAMBCAJX-KRWDZBQOSA-N 450.536 2.048 30 10 JEEE C#CCN1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CC(C)(C)CCOC)CC1 1690122311 NFWOHKDVBUDHDY-UHFFFAOYSA-N 477.613 2.493 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC2(O)CCC2)CC1 1690137424 YLGHSNPTYZYEQJ-UHFFFAOYSA-N 464.570 2.028 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1CCOc1ccc(S(C)(=O)=O)cc1 1690196115 YSUDBQCVNMQBGG-RPWUZVMVSA-N 488.610 2.405 30 10 JEEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCC(Cn2cncn2)CC1 1690220404 XWSIPPYTFWWIRI-HNNXBMFYSA-N 454.373 2.419 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCN2CCCO[C@@H](C)C2)CC1 1690411172 GRRMSRBIFWQDEJ-AZUAARDMSA-N 451.637 2.084 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 1690723379 PVANDFBVXCIFTB-UHFFFAOYSA-N 461.563 2.248 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCCN(C(=O)c2ccccc2)CC1 1690725390 OIJFVWQXGMSDOG-UHFFFAOYSA-N 494.621 2.217 30 10 JEEE CC(C)C(=O)NCCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H](C(C)C)N1CCOCC1 1691496529 CLAFWITWQNHSKI-QFIPXVFZSA-N 467.618 2.382 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccnc(OCC(F)(F)F)c1 1694352711 FFHOWZJPGDYTED-INIZCTEOSA-N 481.479 2.310 30 10 JEEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 1705519911 BGISFHIIYXPGKJ-UHFFFAOYSA-N 484.626 2.105 30 10 JEEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1705520125 JAMVOXIWCDYDPU-JOCHJYFZSA-N 480.661 2.466 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCc1ccc(CC)cc1)[C@H]1CCS(=O)(=O)C1 1705567511 YGFGDJMINZNZGB-NRFANRHFSA-N 452.584 2.110 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CC(C)(C)N1CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1705569591 ILNJHWAGIYIUOB-UNMCSNQZSA-N 484.670 2.401 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2CCOc2ccc(S(C)(=O)=O)cc2)CC1 1705643829 BJWGNCIUQNVGDN-SFHVURJKSA-N 487.626 2.240 30 10 JEEE C#CCSCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(C(C)C)CC1 1705653292 DOZAZXAEOPOZQX-UHFFFAOYSA-N 475.688 2.443 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CCc2ccccc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1705706132 QFHTWFCDMFITKA-ISKFKSNPSA-N 494.640 2.218 30 10 JEEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2c(F)cccc2F)CC1 1705799827 HPZUSYDWBFSSQA-INIZCTEOSA-N 496.584 2.485 30 10 JEEE C=CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1705802972 APIJQYHVIWVEFM-LJQANCHMSA-N 456.576 2.291 30 10 JEEE C=CCCOCCn1c(N2CCC3(CCN(C)C3=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1705832864 LLUBJRCMIJNDIH-XMMPIXPASA-N 461.607 2.360 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1705899140 JCQDOTAWAZYUFC-PXNSSMCTSA-N 458.994 2.448 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1705908031 FWJXWPYWSPVDJV-GAJHUEQPSA-N 473.599 2.265 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCCC[C@H](C)C1 1705933424 GQXIAVHWEVNVAN-KRWDZBQOSA-N 456.576 2.148 30 10 JEEE CCN(CC)C(=O)CCCn1c(C2CC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1709994262 IFJDZSKTHVVMBB-UHFFFAOYSA-N 453.595 2.044 30 10 JEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C(F)(F)F)C1 1722317675 VXESLLYTUYWRME-CVEARBPZSA-N 463.526 2.193 30 10 JEEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(Cc2csc(C)n2)CC1 1722322497 TYWVJAHSBIEUBU-UHFFFAOYSA-N 450.572 2.426 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CC1(CCOC)CC1)[C@@H]1CCS(=O)(=O)C1 1722363480 UKDLOQZRMQNSKI-QGZVFWFLSA-N 463.991 2.437 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1cnn(CC(C)C)c1C)[C@@H]1CCS(=O)(=O)C1 1722367260 UZTVUJAMRQZESW-JOCHJYFZSA-N 481.626 2.100 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCCNC(=O)C2CCC2)CC1 1722430180 ZXFFHTJMHQNGJV-UHFFFAOYSA-N 477.613 2.209 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(Br)cc3)n2CC[C@H]2COCCO2)CC1 1722441377 JGMLSCVGJDTYLJ-FQEVSTJZSA-N 490.402 2.180 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CC2(SC)CCOCC2)CC1 1722448039 QDLLDMORQGVXHM-LJQANCHMSA-N 461.632 2.050 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@@H]2CCO[C@H]2C(C)C)CC1 1722448608 FBXPUZPVHPXLON-GMAHTHKFSA-N 450.587 2.291 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@H](C)N(C)C2CC2)CC1 1722449774 ZCZUXVYUVLJMIM-LJQANCHMSA-N 464.614 2.326 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 1722726376 DCGGCSOLDDLLKG-QFIPXVFZSA-N 473.643 2.392 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OCCC)c(OC)c2)n1CCN1CCN(C(C)=O)CC1 1740543083 IOSOZDJBFASCHE-LJQANCHMSA-N 468.602 2.365 30 10 JEEE C#CCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1740587870 ZGBDTBXUFTWMMD-HXUWFJFHSA-N 453.572 2.062 30 10 JEEE C#CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1740589150 PUJLFGMAVRGQTP-LJQANCHMSA-N 492.605 2.105 30 10 JEEE C#CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1740591544 UEMAHTAQOIANIY-LJQANCHMSA-N 496.616 2.393 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2CCCN2C[C@@H](C)O[C@H](C)C2)CC1 1740694142 ZWMBETDDZHICQG-NHCUHLMSSA-N 452.603 2.208 30 10 JEEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1740870015 HCEWTQKKDQUPEB-JOCHJYFZSA-N 458.588 2.021 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@](C)(O)C2CCCCC2)C1 1740972945 PDHYGAFKCBZIGL-HGHGUNKESA-N 455.625 2.001 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H](C)N2CCOCC2)C1 1740974170 JNSFZEJMJNJJNB-ICSRJNTNSA-N 457.575 2.464 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCO[C@H](c2cccc(OC)c2)C1 1740992913 PKFKRWWIMRLWDM-QFIPXVFZSA-N 483.594 2.451 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 1740995822 YOCBFZFVCJYFRM-QGZVFWFLSA-N 469.608 2.224 30 10 JEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1nc(O)c2ccccc2n1 1741003514 WDYLPMZLSJAGLI-OAHLLOKOSA-N 474.612 2.385 30 10 JEEE C#CCN(c1nnc(-c2cnn(-c3ccccc3)c2)n1CCOC(C)C)[C@H]1CCS(=O)(=O)C1 1748812348 TUEHOBAQNLDTCE-NRFANRHFSA-N 468.583 2.183 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1CCCN(C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1748812796 ZVUOYSBUXCLKQT-JOCHJYFZSA-N 464.595 2.493 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H](CC)NC(=O)OC(C)(C)C 1748835415 BDDVUZGXZVEBBO-LJQANCHMSA-N 475.557 2.297 30 10 JEEE C#CCN(CC#CC)c1nnc(Cc2ccncc2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1748896572 FYRXVDVBPHAAOK-OAQYLSRUSA-N 455.570 2.228 30 10 JEEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCN1CCC[C@H](C)C1 1748962563 LEYJRARCCHGIME-NRFANRHFSA-N 466.634 2.270 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccccc2OC(C)C)CC1 1749001070 GUDLIEOOOCNNJV-UHFFFAOYSA-N 478.597 2.315 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](COC)OC 1749068025 AONXYJYYZIQVEI-IEGUWTFLSA-N 463.579 2.240 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCN(c2cnn(C)c2)CC1 1749118769 JLIMCVCRLOPJKP-DYXWJJEUSA-N 459.595 2.043 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(C(N)=O)CC1 1749121048 KCGIAPPZOYFXMU-UYAOXDASSA-N 473.599 2.032 30 10 JEEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 1749450633 NUYJRYJIPLYRAL-UHFFFAOYSA-N 470.549 2.208 30 10 JEEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1CCC(OC)CC1)C1CC1 1749519444 LCIAVDJTALXEAH-KRWDZBQOSA-N 451.637 2.224 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CN2CCCC2=O)n1C[C@@H](C)N1CCOCC1 1749536507 MYTCIEQFIBZGIU-HXUWFJFHSA-N 463.586 2.185 30 10 JEEE C=CCOc1ccccc1Cn1c(N2CCC[C@H](C(N)=O)C2)nnc1[C@@]1(OCC)CCOC1 1749690286 VCMUEGRTCRVOID-YADARESESA-N 455.559 2.245 30 10 JEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1cccc(Br)n1 1760173055 IENASCVTUJBFEX-UHFFFAOYSA-N 489.399 2.471 30 10 JEEE C#CCN(c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCCC)[C@H]1CCS(=O)(=O)C1 1760184918 ZCMCEMQTXHTXJB-IBGZPJMESA-N 493.655 2.012 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1CCNC(=O)c1cccs1)[C@H]1CCS(=O)(=O)C1 1760191448 HNVFHOAOEBKUML-FQEVSTJZSA-N 497.646 2.182 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3CC)n2Cc2nncn2CC)CC1 1760273445 UVQIMWMIQVUKIH-UHFFFAOYSA-N 476.585 2.045 30 10 JEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2c(F)cccc2OC)CC1 1760281303 QDMAAWLCQDYXKM-KRWDZBQOSA-N 458.563 2.070 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1760335763 QJMDSCUGPOHNDI-XCJLJZCSSA-N 469.590 2.084 30 10 JEEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCN2[C@H](C)CC[C@H]2C)CC1 1760440263 FSDXSEWLEBAOIX-NJDAHSKKSA-N 464.680 2.141 30 10 JEEE CC(C)(C)C(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(C(N)=O)CCCC2)CC1 1760708027 AMCGZOOELVREHG-UHFFFAOYSA-N 493.612 2.469 30 10 JEEE CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](OC)C2CC2)CC1 1762054305 FSFXVADFHYCPPA-XMSQKQJNSA-N 465.602 2.278 30 10 JEEE Cc1nn(C)c(N2CCN(c3nnc(CC(C)(C)C)n3C[C@@H]3CN(CC(C)C)CCO3)CC2)c1C#N 1762402648 DRUSJGPDQLGQOM-NRFANRHFSA-N 497.692 2.464 30 10 JEEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1862762208 DOOUEQOWZDSQRQ-NSPYISDASA-N 485.405 2.233 30 10 JEEE CCOC(=O)N1CCN(C(=O)[C@@H](NC(=O)C2CCN([C@H](C#N)c3cccs3)CC2)C(C)C)CC1 1868784118 VNGBRGJAYQVUTE-CTNGQTDRSA-N 489.642 2.466 30 10 JEEE COc1cc(/C=C/C(=O)Nc2c(C#N)nnn2-c2ccc3c(c2)C(=O)N(C)C3=O)cc(OC)c1OC 1870142648 RVAFXHWGORHDGS-VMPITWQZSA-N 488.460 2.042 30 10 JEEE CC[C@H](C)N1C(=O)c2ccc(C(=O)Nc3c(C#N)nnn3-c3ccc4c(c3)C(=O)N(C)C4=O)cc2C1=O 1870144365 ZUBJXIQEZABNJJ-LBPRGKRZSA-N 497.471 2.012 30 10 JEEE C[C@H](O)Cn1cc(OCC(=O)Nc2sc3c(c2C#N)CCC3)c(=O)cc1CN1CCCC1 1870324426 KAILQQUUIWIJKA-HNNXBMFYSA-N 456.568 2.264 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCCN2C(=O)c3ccccc3C2=O)cn1C[C@H](C)O 1870378233 PEWYGOZIWJKJLS-SFHVURJKSA-N 451.523 2.078 30 10 JEEE O=c1c(Br)c(N/N=C/c2ccc(O)c(Cl)c2)cnn1[C@H]1CCS(=O)(=O)C1 1873526875 AYCRFWFMOCGFFA-UTUJXRGNSA-N 461.725 2.170 30 10 JEEE CCN1CCN(CC#CCOC2CCN(C(=O)c3nnn(-c4ccc(Cl)cc4)c3C)CC2)CC1 1889622783 WYAIUNDEUYSKMG-UHFFFAOYSA-N 485.032 2.491 30 10 JEEE C[C@H]1C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@]3(Cl)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COP(=O)(O)O 1933252272 RTGFWMCLUOVPAE-XGDHITNLSA-N 488.901 2.282 30 10 JEEE C=CC1(NC(=O)C2(C(=O)O)CCN(C(=O)OC(C)(C)C)CC2)CN(C(=O)OC(C)(C)C)C1 2075320083 NWWOGCVDPDWAJZ-UHFFFAOYSA-N 453.536 2.380 30 10 JEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)CCN1C(=O)C1CC(B2OC(C)(C)C(C)(C)O2)C1 2255615318 KBIZZCFRMHSREP-UHFFFAOYSA-N 458.386 2.268 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1CN2S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2255750064 DNVPKVBXCVEWAW-KBPBESRZSA-N 470.422 2.430 30 10 JEEE Cc1cc(C(=O)NC[C@](C)(CO)NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2255838901 NFDNOBRGHKFTGB-OAQYLSRUSA-N 454.398 2.361 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)NCc2sccc2B2OC(C)(C)C(C)(C)O2)C1 2256621277 SDWIKYRHWYPUOY-OAHLLOKOSA-N 452.382 2.299 30 10 JEEE CC(C)(C)OC(=O)NC[C@H](O)CCC(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)s1 2256623364 CXJJTTGRNWMRSP-CQSZACIVSA-N 454.398 2.329 30 10 JEEE CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1sccc1B1OC(C)(C)C(C)(C)O1 2256679194 JSMWCWLCBVVEFR-HNNXBMFYSA-N 453.414 2.118 30 10 JEEE CO[C@H]1C[C@H](CNC(=O)OC(C)(C)C)N(C(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2267165074 ZUXMEYFWDOTZAJ-KGLIPLIRSA-N 467.397 2.197 30 10 JEEE CC1(NC(=O)OC(C)(C)C)CC(NS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267355233 KVAQZMYFWTVHKU-UHFFFAOYSA-N 467.397 2.105 30 10 JEEE CC1(C)OB(c2cncc(S(=O)(=O)NCc3ccn(Cc4ccccc4)n3)c2)OC1(C)C 2267378675 RCWNVQMUBYUUBS-UHFFFAOYSA-N 454.361 2.104 30 10 JEEE Cc1cc(CNC(=O)[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)sc1B1OC(C)(C)C(C)(C)O1 2268784632 HITGUYPNXJLDFR-QFIPXVFZSA-N 466.409 2.344 30 10 JEEE CN(C[C@H](O)CN(C)C(=O)c1ccc(F)cc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2281784649 AWZMBZDDAIUEHF-MRXNPFEDSA-N 466.359 2.425 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](O)CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)c(F)c2)C1 2281785184 JNHVBGHUKHEOJF-CVEARBPZSA-N 464.343 2.225 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)C1 2282003397 BHNHMIGSVMFGDV-JKSUJKDBSA-N 462.400 2.451 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@H](O)CN(C(=O)c2ccc(F)cc2B2OC(C)(C)C(C)(C)O2)C1 2282403166 PIDOOWUXEAKSCE-HOTGVXAUSA-N 464.343 2.225 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C1)[C@@H]2NS(=O)(=O)Cc1ccccc1B1OC(C)(C)C(C)(C)O1 2282494438 YLAWMVOVBTUMTB-IZZQQSIFSA-N 478.420 2.271 30 10 JEEE Cn1cc(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccco2)nc1B1OC(C)(C)C(C)(C)O1 2282545454 IZHNKWVBCMCYHZ-CQSZACIVSA-N 460.340 2.308 30 10 JEEE Cc1nn(C)c(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC23CC3)c1B1OC(C)(C)C(C)(C)O1 2282561695 LQVDFLZANIINKN-HNNXBMFYSA-N 460.384 2.157 30 10 JEEE CC(C)(C)OC(=O)N1CC(F)(F)C[C@]1(C)CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2282576392 PZVBVBOJOROPQW-HXUWFJFHSA-N 470.326 2.474 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](NS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)C2(CC2)C1 2282840322 MPCOIVLLMBVART-OAHLLOKOSA-N 499.464 2.261 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](NC(=O)c3nccnc3B3OC(C)(C)C(C)(C)O3)C[C@H]1C2 2283069412 PAHUFHQEPONESL-ARFHVFGLSA-N 458.368 2.294 30 10 JEEE CC(C)(C)OC(=O)N1CCCN(CC(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)CC1 2283984096 RTNMEPBTVNCWMZ-UHFFFAOYSA-N 480.440 2.001 30 10 JEEE Cc1nc(NC(=O)[C@H]2C[C@@H](NC(=O)OC(C)(C)C)CCO2)ncc1B1OC(C)(C)C(C)(C)O1 2284136983 IYUZQXFTABOTLL-GOEBONIOSA-N 462.356 2.095 30 10 JEEE CC(C)(C)OC(=O)NC1(C(=O)NCCc2c(F)cccc2B2OC(C)(C)C(C)(C)O2)COC1 2289663242 HGQKFUHGZKHMQV-UHFFFAOYSA-N 464.343 2.077 30 10 JEEE CCN1CCN(c2c(C=C3SC(=S)N(CCOC)C3=O)c(C)c(C#N)c(=O)n2CC)CC1 2314425917 BIYPJNKHAXHIFA-UHFFFAOYSA-N 475.640 2.038 30 10 JEEE CN(CCOCCNC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2315685804 YTNBQSXMFYEFHV-UHFFFAOYSA-N 455.386 2.056 30 10 JEEE COc1nc(OCC2(CNC(=O)OC(C)(C)C)COC2)ccc1B1OC(C)(C)C(C)(C)O1 2339835596 SGBVMHFOLGSHJG-UHFFFAOYSA-N 450.341 2.310 30 10 JEEE Cn1cc(C(=O)N2CC(F)(F)[C@](C)(NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2361916008 MPEMTCAAIRLLHL-HXUWFJFHSA-N 470.326 2.094 30 10 JEEE C[C@@H](NC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1)C1(O)CCN(C(=O)OC(C)(C)C)CC1 2362504505 CWDZEUZZCGTCJS-CQSZACIVSA-N 481.424 2.323 30 10 JEEE COc1ccccc1N1CCN(C(=O)c2cccc(/N=C3/N[C@@H]4CS(=O)(=O)C[C@@H]4S3)c2)CC1 2688625 PIPGRVILDQORJC-NQIIRXRSSA-N 486.619 2.147 30 10 JEEE C#CCOC[C@@H](O)CN(Cc1ccccc1)Cc1nc2sc(C(=O)OCC)c(C)c2c(=O)[nH]1 36207212 GQZCHDWKKHXZDW-SFHVURJKSA-N 469.563 2.483 30 10 JEEE COc1cc(NC(=O)C[C@H]2N=C(N/C(N)=N\c3ccccc3C)N=C2O)cc(OC)c1OC 40376428 LYUWUWXXVINMPK-OAHLLOKOSA-N 454.487 2.280 30 10 JEEE COc1cc(/C=N/Nc2nc(SCC(=O)NCc3cccc(OC)c3OC)n[nH]2)ccc1O 58994947 GWZCGPDNCKSTNG-AUEPDCJTSA-N 472.527 2.391 30 10 JEEE Cc1cc(C)c(C#N)c(SC2=C(N(C)CCO)C(=O)N(c3ccccc3N3CCOCC3)C2=O)n1 526695907 FYVPUUUKYQZKEA-UHFFFAOYSA-N 493.589 2.208 30 10 JEEE C#CCN(C(=O)CCN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 729332109 VCIKDJZQOZWQGA-NRFANRHFSA-N 474.604 2.229 30 10 JEEE COCCn1c(=C(C#N)C(=O)c2cccc(C)c2C)sc(=Cc2cnn3ccccc23)c1=O 729671084 DAFLFEMIEBPEGV-UHFFFAOYSA-N 458.543 2.207 30 10 JEEE CN(C)CC(C)(C)Cn1c(=C(C#N)C(=O)C(C)(C)C)sc(=Cc2cnn3ccccc23)c1=O 729672609 XOGXROOPHNGMEY-UHFFFAOYSA-N 465.623 2.264 30 10 JEEE C=CCN(C(=O)[C@H]1OCC(=O)N(C)[C@@H]1c1cccnc1)[C@@H](Cc1ccccc1)C(=O)OCC 1128111304 KNNCQORCUFLPCM-WWNPGLIZSA-N 451.523 2.169 30 10 JEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCO[C@H](c3cccc(OC(F)F)c3)C2)c1 1153142098 BMXKGOLARVZCGA-IBGZPJMESA-N 450.463 2.413 30 10 JEEE Cn1nccc1[C@@H](O)C1CCN(S(=O)(=O)c2cc(Br)c(C#N)cc2F)CC1 1213202150 GIBAFSIGURCPNM-KRWDZBQOSA-N 457.325 2.328 30 10 JEEE C#CCN1CCC[C@H](NC(=O)N2CCN(C(=O)COc3ccc(Cl)cc3Cl)CC2)C1 1248677196 XDCDDMFNDKHOQQ-KRWDZBQOSA-N 453.370 2.324 30 10 JEEE C#CCCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(C(=O)NCCOC)CC1 1286319391 ZPRBTACXENAJQW-UHFFFAOYSA-N 453.543 2.456 30 10 JEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC([C@H](O)c2ccc(F)cc2)CC1 1286343073 UBAXRQJGIGWHEA-OXJNMPFZSA-N 463.579 2.391 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1Cc1cccc(COC)c1)[C@@H]1CCS(=O)(=O)C1 1286386549 CNXJVLWDBUCOSE-HXUWFJFHSA-N 453.568 2.105 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1CCN1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 1286387515 GATUXUUCSKMQMT-LJQANCHMSA-N 490.029 2.496 30 10 JEEE C#CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1C[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1286397884 DMCHLPKVVABPQR-FKSLSLAPSA-N 477.631 2.332 30 10 JEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@]1(O)CCC[C@@H]1C 1286401099 NTCVEEXVRAIIRT-SBUREZEXSA-N 454.600 2.171 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCc2n[nH]c(C)n2)CC1 1286471988 PMJYBMNOWITFFG-INIZCTEOSA-N 454.966 2.496 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2CCNC(=O)c2ccco2)CC1 1286491080 DNGQDFBYAGQEFJ-UHFFFAOYSA-N 474.565 2.166 30 10 JEEE C#CCSCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1286504070 IDAHBMDXTIVWEX-GOSISDBHSA-N 486.623 2.485 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(CC(=O)NC)CC1 1286547310 OCOSWEDZZHPLRQ-RXVVDRJESA-N 467.574 2.259 30 10 JEEE C=C(Cl)Cn1c(-c2ccc[nH]2)nnc1N1C[C@@H]2[C@@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1286624996 GGOOBVDGDYQBJN-KBMXLJTQSA-N 482.994 2.152 30 10 JEEE C=CCC(C)(C)Cn1c(N2CCN(S(C)(=O)=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1286676918 UROXENMVISRSAG-OAQYLSRUSA-N 455.625 2.003 30 10 JEEE C=CCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1286696640 LGTPNQSONQWLKH-UHFFFAOYSA-N 480.598 2.336 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1nnc2n1CCC2 1286758881 WZVZPPAOUAECJW-KRWDZBQOSA-N 470.578 2.351 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1286783909 PUURLOQNJAQVNE-QHCPKHFHSA-N 485.976 2.395 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)c1ccc(F)c(F)c1 1286820517 MQZADRMYZSYYOG-HOCLYGCPSA-N 488.582 2.257 30 10 JEEE C=CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(NC(C)=O)CC1 1286829429 YDPXCZALEHAKSQ-UHFFFAOYSA-N 477.660 2.262 30 10 JEEE Cc1nccn1CCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@](F)(C#N)C1 1290514011 HQUOISCCVJTQND-OAQYLSRUSA-N 457.535 2.386 30 10 JEEE Cc1cc(C(=O)N2CCN([C@H](C#N)C(C)C)CC2)c(C)n1Cc1ccc(S(N)(=O)=O)cc1 1292702285 ARGFMXAGNVDVOZ-JOCHJYFZSA-N 457.600 2.107 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(C)(C)N1CCOCC1 1300307559 GHWKSMVMFNCWBQ-IBGZPJMESA-N 452.607 2.021 30 10 JEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC2(CCN(C)C2=O)CC1 1300391961 WOAVPNDDLUFSGE-UHFFFAOYSA-N 484.626 2.058 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CC1(SC)CCOCC1)[C@H]1CCS(=O)(=O)C1 1300482444 FZCCTIFZUBKVFM-IBGZPJMESA-N 490.651 2.493 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCCN(C)CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1300489201 KBABBKUOUGWUIN-IBGZPJMESA-N 494.543 2.328 30 10 JEEE C#CCN(c1nnc(C2CC2)n1C[C@@](O)(c1ccccc1)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1300491122 DTEFIXOHSLZEPU-FXAWDEMLSA-N 468.501 2.232 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CC1(CCOC)CCC1)[C@H]1CCS(=O)(=O)C1 1300498529 LIUZSADHYSIPCY-FQEVSTJZSA-N 457.600 2.097 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1CCCc1c[nH]nc1C)[C@H]1CCS(=O)(=O)C1 1300502499 VSZLNCDKWLITBR-QFIPXVFZSA-N 466.611 2.354 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCc1nc(C)c(C)s1)[C@H]1CCS(=O)(=O)C1 1300504994 XHWKVLGPUAEWET-IBGZPJMESA-N 487.655 2.082 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCN(C)CC(F)(F)F)CC1 1300689198 SEJBIOOQJINLMM-UHFFFAOYSA-N 465.480 2.493 30 10 JEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 1300756244 JMTSUGSYVZRPMF-QZTJIDSGSA-N 471.562 2.135 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 1300892772 VJBJDIVDFQXCGA-CVDCTZTESA-N 487.626 2.422 30 10 JEEE C=CCCCCCN(C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@]1(O)CCS(=O)(=O)C1 1301168924 WRVNFCKHNWNSLJ-QFIPXVFZSA-N 462.572 2.406 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1301489730 AVRNLRXRXIQBHK-SFHVURJKSA-N 459.913 2.351 30 10 JEEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)[C@@H]1C[C@H](OCC)C1(C)C 1301496689 FONWBANROHRKKU-MSOLQXFVSA-N 489.646 2.180 30 10 JEEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@@](F)(C#N)C1 1301500236 KIQSDFVBSHNMMB-JOCHJYFZSA-N 461.542 2.137 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1301569589 ZSDXSGVIWQEADQ-CYFREDJKSA-N 487.626 2.495 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1301585483 BWFQNNGALWFBIY-OAQYLSRUSA-N 487.670 2.354 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)c1ccc(F)cc1 1301588707 ILFIIGKUHWJLRE-WBVHZDCISA-N 470.592 2.118 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1Cc1ccco1 1303838131 DYSSPATUZOXMFO-INIZCTEOSA-N 470.555 2.449 30 10 JEEE C#CC1(O)CN(C(=O)c2cc(Br)c3c(c2)CN(C(=O)OC(C)(C)C)CCO3)C1 1304606757 OYGQKHCVPZTNLG-UHFFFAOYSA-N 451.317 2.399 30 10 JEEE C#C[C@H](C)N(C)c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1358894516 QFNJUHNOXPVYOE-VDZJLULYSA-N 462.645 2.296 30 10 JEEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2oc(C3CC3)nc2C#N)CC1 1358904118 VROCLIIFTUZHPZ-UHFFFAOYSA-N 450.547 2.283 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1358972200 XKPBWUHYVXJWDD-ZWKOTPCHSA-N 471.652 2.486 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@H](C)CN2CCCC2)CC1 1359038641 DFDAEXZUZSJVNB-OAQYLSRUSA-N 452.603 2.353 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCCCC2)CC1 1359091855 UAQQCIIHUCSQIC-ZJOUEHCJSA-N 480.679 2.324 30 10 JEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](N(C)Cc2ccccc2)C1 1359215447 BRGGFJNTTAAVFQ-FCHUYYIVSA-N 488.658 2.288 30 10 JEEE C=CCN(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(CS(C)(=O)=O)cc1 1359243752 CVGYIUTZBCTKFW-UHFFFAOYSA-N 459.597 2.485 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1359297321 MPWKOPFZUXZFJK-LSDHHAIUSA-N 462.304 2.124 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1359305077 SGZLKRGCZBVGAN-IBGZPJMESA-N 475.615 2.125 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@H](COC)C1 1359326529 CCKYHFTYMDMHSI-SFHVURJKSA-N 461.588 2.221 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1C[C@@H](C)[C@@H](F)C1 1359334691 OAQVNIGMZFPSDA-IRLDBZIGSA-N 490.649 2.038 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)N3C[C@H]4CCCS(=O)(=O)[C@@]4(C(F)(F)F)C3)cc2C1=O 1463445236 KZTHLIUQYAWHCH-YJYMSZOUSA-N 456.442 2.050 30 10 JEEE C=CCNc1ncc(C(=O)Nc2ccc(OCC)c(S(=O)(=O)N3CCOCC3)c2)s1 1463809466 JUHVMTAXMBTGIK-UHFFFAOYSA-N 452.558 2.413 30 10 JEEE COC[C@@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1)OC 1504584806 DVEDKJIFKNQPEY-YADHBBJMSA-N 454.575 2.375 30 10 JEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(c2ccnc(C)n2)CC1 1507578407 XUJPLIHHTZGBOX-UHFFFAOYSA-N 494.625 2.034 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccc(N2CCOCC2)cc1)[C@H]1CCS(=O)(=O)C1 1507623842 YCPCOSNQACBPPL-NRFANRHFSA-N 471.627 2.087 30 10 JEEE C#CCN(c1nnc([C@@H](C)OCCOC)n1Cc1ccc2[nH]c(C)cc2c1)[C@@H]1CCS(=O)(=O)C1 1507625087 FVQUNWVJBLCSTB-WIYYLYMNSA-N 485.610 2.467 30 10 JEEE C#CCN(c1nnc(CC2CCCC2)n1CCN(C)CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1507634120 JCOUZKNPTJVQBC-QGZVFWFLSA-N 461.554 2.132 30 10 JEEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(OCC(F)(F)F)c1 1507679624 OTERFGJWXXIAFL-CQSZACIVSA-N 459.494 2.337 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC(CC)(CC)OC)CC1 1507717405 BICMTKSNLKHIJY-UHFFFAOYSA-N 488.658 2.156 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2Cc2ccn(C)n2)CC1 1507735640 DHRLPJNTIUOJJT-KRWDZBQOSA-N 465.533 2.305 30 10 JEEE C=C(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1507834091 YSCRQLMQDAHBBY-LJQANCHMSA-N 451.575 2.342 30 10 JEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2OC)CC1 1507966724 BOYXGEILYYRMIA-IBGZPJMESA-N 475.615 2.108 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](c2cccc(F)c2)C1 1508144372 DDYZGIHMIVPAPE-IEBWSBKVSA-N 450.536 2.100 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(OC)ccc1OC(F)F 1538975079 XJRHPJSGXCCGIV-STQMWFEESA-N 457.503 2.005 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C(F)(F)F)cc1C 1539014537 MAXQMCWCGZNVRS-YJBOKZPZSA-N 485.532 2.444 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccc(OC)cc2F)CC1 1539430515 KPBHRWJGAAQKCK-XMMPIXPASA-N 457.550 2.270 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C(F)(F)F)cc2C)CC1 1539447948 ZPARBFXVVINDGE-GOSISDBHSA-N 481.544 2.311 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CCC(=O)NC2CCCCC2)CC1 1539484615 WROMBHHHGMAIFS-UHFFFAOYSA-N 497.669 2.439 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1539517570 POVHXVSQBSOPCT-ZWKOTPCHSA-N 497.687 2.240 30 10 JEEE C=C(C)Cn1c(SCC(=O)N2CCN(S(=O)(=O)CC)C[C@H]2C)nnc1-c1ccco1 1544293399 HVXPLJMLCLAENT-OAHLLOKOSA-N 453.590 2.089 30 10 JEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCCC[C@@H]1c1nnc([C@H]2CCCO2)o1 1556845768 CBZAJFCOHCIWHD-ZTFGCOKTSA-N 459.528 2.213 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@](C)(Cc2ccc(F)cc2)C(=O)OC)ccc1F 1583452601 NQWZDPWHNZJTKP-OAQYLSRUSA-N 452.479 2.333 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2N(C)CCCC2(C)C)c1 1587692879 LTGACQYMUFHCEE-NHCUHLMSSA-N 477.613 2.406 30 10 JEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 1587707114 WNWTZSNPICENKK-YESZJQIVSA-N 468.624 2.041 30 10 JEEE C#CCN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCNC(=O)c1cc[nH]n1 1588384781 BBJFFTBCKKBABP-UHFFFAOYSA-N 470.578 2.005 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](CC=C)c2ccccc2)CC1 1588742967 WGQRZHXFQVNVIE-CTNGQTDRSA-N 456.616 2.003 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC(=O)NCC(F)F)CC1 1588780090 HFTIZLJFSLTFBI-UHFFFAOYSA-N 457.312 2.388 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2CC[C@@H](C(F)F)N2CCOCC2)CC1 1588780548 SFJNPWZLTTZDRZ-NRFANRHFSA-N 474.556 2.065 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CCNC(=O)Cc2cccc(F)c2)CC1 1588885056 RSZYHGLNYGJLNU-UHFFFAOYSA-N 468.577 2.039 30 10 JEEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(c2nc(CC)ns2)CC1 1593884052 AZXSVLUVCCCPSB-AWEZNQCLSA-N 472.040 2.063 30 10 JEEE C=C(Cl)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1593907786 AVZOPURXMIEVJJ-UHFFFAOYSA-N 475.041 2.463 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCOCC2CCOCC2)CC1 1594236441 CGMWHZSUAHQDBM-HXUWFJFHSA-N 452.621 2.416 30 10 JEEE C=CC[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NS(C)(=O)=O)CC1)c1ccccc1 1594544861 NOBGJLAEYQXTJV-AZUAARDMSA-N 472.615 2.107 30 10 JEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1594812580 HRDVDFOLGNZRPI-SFHVURJKSA-N 490.586 2.008 30 10 JEEE C=CCCOCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC(C)(OC)C1 1594813203 QKMASWDWEBHTOK-QGZVFWFLSA-N 451.568 2.404 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)C(=O)NC 1595161593 FLKCKEOTSKVXEF-HNNXBMFYSA-N 451.618 2.207 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(OC[C@H]2CCOC2)CC1 1595556565 XVUOEZGNZXBVIT-IBGZPJMESA-N 457.550 2.332 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1csc(C(C)(C)C)n1 1596788757 CMZIHAKLABHZMH-ZIAGYGMSSA-N 453.638 2.481 30 10 JEEE CC(C)(C)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCS(=O)(=O)C2)CCO1 1597204192 GGCWLNSBZUYESS-AZUAARDMSA-N 473.599 2.415 30 10 JEEE CCN1CCN([C@@H]2CCN(c3nnc(COc4ccc(C#N)cc4)n3C[C@](C)(O)C(C)C)C2)CC1 1615875147 CSXMKSXVEORKTM-GJZUVCINSA-N 481.645 2.352 30 10 JEEE N#Cc1ccc(CN2CC[C@H](NC(=O)N[C@H]3CCN(c4ccc(Cl)cc4)C3=O)C2=O)cc1 1632032583 BUJDNPHPVMZGNW-PMACEKPBSA-N 451.914 2.417 30 10 JEEE CCc1nnc(O)c(CNC(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)c1CC 1635729870 GQWMQTAGSIYVHO-GOSISDBHSA-N 459.572 2.077 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCNC(=O)C(C)C 1649538802 HLDUCBPLOXUGAT-INIZCTEOSA-N 459.620 2.167 30 10 JEEE COc1ccc(CN([C@@H]2CCS(=O)(=O)C2)S(=O)(=O)Cc2cc(C#N)ccc2F)cc1 1653562654 BMFFNONCERWHMS-GOSISDBHSA-N 452.529 2.225 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(C)n(C)c1=O 1689853890 ZWVICUPRYIOSRM-VQIMIIECSA-N 470.574 2.100 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OCC)CCOC3)n2C[C@@H]2CC(F)(F)CO2)c1 1689868341 DDPTZLLXIWJTIF-CVDCTZTESA-N 489.523 2.411 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCCO3)n2C[C@@]2(C)CN(C)C2=O)c1 1689872433 YMZLLZKSCSRYHN-NTKDMRAZSA-N 450.543 2.054 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2C[C@H]2CCCS(=O)(=O)C2)c1 1689873731 UXZDVSDJAROUNO-UYAOXDASSA-N 471.583 2.011 30 10 JEEE C#CCCCn1c(-c2cccc(Br)c2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1689915072 OWRVYJPSDVHRFN-UHFFFAOYSA-N 485.386 2.048 30 10 JEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(c2ncccc2F)CC1 1689916520 MEWVGZNRCAXMQQ-UHFFFAOYSA-N 497.600 2.470 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(Br)cc2)n1Cc1nnnn1CC1CC1 1690006535 SAALHTILORRLBI-UHFFFAOYSA-N 451.332 2.225 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccccc2Br)n1CCCN(CC)S(C)(=O)=O 1690011195 FEOVDLJKURZICY-UHFFFAOYSA-N 478.416 2.452 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCSC2(C)C)n1 1690109121 HNDLBNDVZABOSI-HKUYNNGSSA-N 471.631 2.244 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2Cc2cnn(CCOC)c2)CC1 1690131941 BCMOYXUDHMSQOS-UHFFFAOYSA-N 463.586 2.120 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCNC(=O)C1)C(C)C 1690581424 RIDICNKKQRFISE-LJQANCHMSA-N 452.559 2.309 30 10 JEEE C[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1)N(C)C(=O)OC(C)(C)C 1692719599 BPRANJNYPDSZGU-NVXWUHKLSA-N 466.608 2.176 30 10 JEEE CO[C@@H]1COCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1ncnn1CC(F)F 1697698083 HPEJVRQTEHDCJH-QZTJIDSGSA-N 472.500 2.361 30 10 JEEE C#CCN(c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1705563017 OWUISAHSSIANNX-FDDCHVKYSA-N 476.599 2.140 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1CCN(CC)C(C)C)[C@H]1CCS(=O)(=O)C1 1705571221 WXLHSZFEPAMPFM-FQEVSTJZSA-N 461.607 2.365 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1cccnc1 1705628450 HFGMPTWNNHIICR-FQEVSTJZSA-N 470.574 2.310 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCc2nc(C)no2)CC1 1705634258 PENWTCLISUAYRV-UHFFFAOYSA-N 459.352 2.115 30 10 JEEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(C(=O)NCC)cc2)CC1 1705641151 UKEHQCRNISFOIW-UHFFFAOYSA-N 463.611 2.187 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2Cc2cccc(Br)n2)CC1 1705650647 WFZGIPHTYMOKHR-UHFFFAOYSA-N 494.397 2.436 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CC(=O)NCC)CC1 1705697171 SMYLALXMLFUJSA-NQIIRXRSSA-N 474.009 2.233 30 10 JEEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1705739813 SCANNLLVFNVNKM-UHFFFAOYSA-N 492.609 2.456 30 10 JEEE C=CCCCn1c(COc2ccc(OC)cc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1705823237 GCVFGEVFAVZDLK-UHFFFAOYSA-N 482.585 2.103 30 10 JEEE C=CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1705886968 IVTQSWGFDLMLCE-LJQANCHMSA-N 454.575 2.394 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1705902670 LAYACBZFNOLLPD-UUOWRZLLSA-N 463.542 2.222 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2OCC)nnc1N1CCC(O)(C(F)(F)F)CC1 1705908519 RELFOGMSFAVYOP-UHFFFAOYSA-N 483.491 2.452 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(C)C)CC1 1705935641 YLNKNQPJLPSQHW-UHFFFAOYSA-N 453.559 2.278 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](C#N)C1 1706159027 BVPRENDURGMCCZ-IAGOWNOFSA-N 482.545 2.054 30 10 JEEE CNC(=O)[C@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)OC(C)(C)C)C1 1711316602 GDVZGNUVKZNUSN-HSZRJFAPSA-N 453.547 2.304 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCNC(=O)c1cccc(OC)c1 1722292813 ATBYMESHHVKELO-LJQANCHMSA-N 488.596 2.349 30 10 JEEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1722311710 ZWPFJAVOTGGZNP-MOPGFXCFSA-N 473.555 2.113 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1722358735 FMXZVQAPQKWWAY-HOCLYGCPSA-N 452.939 2.401 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1ccc(OC)c(OCC)c1)[C@@H]1CCS(=O)(=O)C1 1722360114 DAJZXCFVMYGSDT-LJQANCHMSA-N 481.578 2.422 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCCOC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1722360561 VCONRRJSBDRJQZ-FQEVSTJZSA-N 488.610 2.166 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Cl)n1CCCN1CCC(O)CC1)[C@H]1CCS(=O)(=O)C1 1722360644 BKMASWKOPZQAPA-SFHVURJKSA-N 492.045 2.072 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCc1ccccn1)[C@H]1CCS(=O)(=O)C1 1722364367 ZERRUMHLHUBJON-SFHVURJKSA-N 456.959 2.258 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1nnc(C(C)(C)C)s1)[C@H]1CCS(=O)(=O)C1 1722369453 ZMNULNMPFZBBTB-HOTGVXAUSA-N 478.644 2.344 30 10 JEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1C[C@H]1OCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1722370894 FRHPUYBFSHHBNS-KAGYGMCKSA-N 472.611 2.124 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(F)c(C)c1)[C@@H]1CCS(=O)(=O)C1 1722372037 OGVHLTYYMFDZRV-HXUWFJFHSA-N 470.574 2.262 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@]1(O)CCS(=O)(=O)C1 1722393291 YRJFTHFBLDYNNK-FQEVSTJZSA-N 467.378 2.264 30 10 JEEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1722415425 DGJCZYJAMNDILV-QGZVFWFLSA-N 484.548 2.382 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CCCC(=O)NC2CC2)CC1 1722449028 LFUBXZXCKHEIHZ-UHFFFAOYSA-N 466.561 2.033 30 10 JEEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2cccnn2)CC1 1722464925 BRJNZVNNZVSYHR-UHFFFAOYSA-N 460.567 2.212 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)c1nccs1 1722517103 HCTCLFNPPNWLLV-HOTGVXAUSA-N 454.622 2.274 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](c2ccccc2)C1 1722726205 YHTVSNHMQGSGOZ-LJQANCHMSA-N 482.566 2.104 30 10 JEEE CN(C[C@@H]1CCOC1)c1nnc(COc2ccc(C#N)cc2)n1CCN1CCOCC1(C)C 1729486235 HPISZKWRXFLFNP-FQEVSTJZSA-N 454.575 2.312 30 10 JEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(C(=O)N2CCCC2)CC1 1740582453 NUMQEHSQAORJLV-UHFFFAOYSA-N 498.653 2.448 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)ccc2Br)n1C[C@@H](C)OC)[C@H]1CCS(=O)(=O)C1 1740618859 KZIUFSYXVHTIFJ-CABCVRRESA-N 497.415 2.378 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1CCOc1ncccc1Cl)[C@@H]1CCS(=O)(=O)C1 1740620266 CWJWLFFEDGDKEA-MRXNPFEDSA-N 472.958 2.094 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H](c1ccccc1)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1740622863 JZXBRZDMIWYFQE-GMAHTHKFSA-N 493.637 2.445 30 10 JEEE C#CCN1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2C[C@@H](C)SC)CC1 1740695030 ARMLIQUTEVMMCA-QGZVFWFLSA-N 451.600 2.182 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCCN(C(C)C)C2)CC1 1740699602 MSDRKHXXZJGETI-FQEVSTJZSA-N 469.659 2.145 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N1CCN(CC(=O)NCC)CC1 1740761770 AILDYCXJWRBCLN-DENIHFKCSA-N 458.632 2.170 30 10 JEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CC(=O)N(c3ccccc3)C2)CC1 1740818712 RJTMRMXRURWHNN-ROUUACIJSA-N 458.588 2.098 30 10 JEEE C=CCCCn1c(N2CCN(c3ncccc3C(N)=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1740881692 OLUBATSQNZTNNB-DEOSSOPVSA-N 469.590 2.105 30 10 JEEE C=CCn1c(CCc2ccc(OC)cc2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1740948362 RPLGPJNLEFHAKO-UHFFFAOYSA-N 465.558 2.315 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1740961827 JXIAHZBTHIQZPQ-LJQANCHMSA-N 452.538 2.360 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H]3CCCCO3)nnc2N2CCN(CC(=O)NCC)CC2)cc1 1740967039 UXGZEVDXNNHLJH-QFIPXVFZSA-N 468.602 2.391 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1 1740990351 RLYALQYXTPDUQW-UHFFFAOYSA-N 491.618 2.220 30 10 JEEE CC(C)CC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(c3cc(C#N)ccn3)CC2)CC1 1741424870 BCAMJLJDPFSZSM-GOSISDBHSA-N 486.646 2.308 30 10 JEEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCO[C@H](COC(C)C)C1 1748745914 YZWCIVUKNFQIHE-SFHVURJKSA-N 460.604 2.282 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1ccccc1OCC)[C@H]1CCS(=O)(=O)C1 1748818931 HRPNDDKPDSZHBO-NRFANRHFSA-N 465.579 2.338 30 10 JEEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1Cc1snnc1C)[C@H]1CCS(=O)(=O)C1 1748820784 IQVKJTORZREWKY-SFHVURJKSA-N 486.623 2.309 30 10 JEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1Cc1nccs1)[C@H]1CCS(=O)(=O)C1 1748820931 JKJQWGRQBQUIIT-SFHVURJKSA-N 471.608 2.203 30 10 JEEE C#CCN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1Cc1ccc(C(N)=O)nc1 1748925656 KRPWGNHYVQWWHI-UHFFFAOYSA-N 467.574 2.394 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2cccc(Br)n2)CC1 1748971553 VFAPHSDFQPIOLA-UHFFFAOYSA-N 474.407 2.158 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCc2ccc(N(C)C)cc2)CC1 1749009053 FJXJLAKQPXDXTO-QFIPXVFZSA-N 464.614 2.447 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2CC[C@H](N2CCOCC2)C(F)(F)F)C1 1749707111 USFVMPBWIUQIKW-MSOLQXFVSA-N 469.512 2.113 30 10 JEEE CC[C@@H](C)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1)OC 1752572226 AOIDOOCJACRYHF-QUCCMNQESA-N 466.590 2.168 30 10 JEEE C#CCN(c1nnc(C(C)C)n1CCCS(=O)(=O)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1760182977 NSJWEEFAWUFNKD-FQEVSTJZSA-N 478.640 2.033 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(CC)s1)[C@@H]1CCS(=O)(=O)C1 1760191911 BFEITQKYHRAKLL-QKLQHJQFSA-N 478.640 2.301 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC(C)(C)C(=O)NC 1760247469 CKAWDETZKNOMBY-UHFFFAOYSA-N 479.585 2.094 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2Cc2nnc(C)s2)CC1 1760258574 OSDTWMRMACNVMN-UHFFFAOYSA-N 453.572 2.316 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](C(CC)CC)N2CCOCC2)CC1 1760259708 PDSKEQPDFAYFKN-PKTZIBPZSA-N 458.651 2.064 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCN(C(C)=O)C1 1760483382 NNBCJFGSLLOJIO-PKOBYXMFSA-N 492.621 2.479 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(-n3nc(C)cc3C)nc2)C1 1760533357 DYEKDBLFLLOXLA-FQEVSTJZSA-N 464.574 2.443 30 10 JEEE CC(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)NC(C)(C)C)CC1 1760652063 GZMFCORERCHWGR-UHFFFAOYSA-N 467.574 2.138 30 10 JEEE Cc1ccc(NC(=O)c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2ncnn2C(C)(C)C)cc1C 1761808858 GSZNRVMUBPGADL-SFHVURJKSA-N 463.546 2.271 30 10 JEEE CCC1(Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3nccnc3C#N)C[C@H]2C)CCC1 1762512317 CZZYVKYZOFRIGW-QGZVFWFLSA-N 451.579 2.373 30 10 JEEE CCCNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1764539009 DTGPRYSPGUUTAJ-NRFANRHFSA-N 465.602 2.282 30 10 JEEE COCC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[S@@](=O)C(C)(C)C)CC1 1770684636 BZKPGFUPBGQEKJ-MGBGTMOVSA-N 472.615 2.095 30 10 JEEE N#C[C@@]1(F)CCN(c2nnc(CNC(=O)c3cccs3)n2CCn2cc(Br)cn2)C1 1771530190 CWEUJICMNFIEKD-SFHVURJKSA-N 493.366 2.371 30 10 JEEE CCCNC(=O)COc1cn(CCOCCO)c(CSc2nc(C)c(C)c(C)c2C#N)cc1=O 1870191320 WTLKJTUYVREFNV-UHFFFAOYSA-N 488.610 2.246 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)Nc2ccc(C(C)=O)cc2)cn1CCOCCO 1870400253 YTQYFJCYAKUFMQ-UHFFFAOYSA-N 483.565 2.251 30 10 JEEE CCCCCCCCCCNC(=O)c1nonc1OCC(=O)N=c1nc2nc(C)cc(C)n2[nH]1 1872710976 QBYVDXNOPLTIRP-UHFFFAOYSA-N 472.550 2.434 30 10 JEEE C=CCn1c(C(=O)NCCCCCCO)cc2c(N3CCN(c4ncccn4)CC3)ncnc21 1873596232 NKBLJGJJGGTCBL-UHFFFAOYSA-N 464.574 2.016 30 10 JEEE CC(C)N1C[C@H](C(=O)NC2=C(c3nc4ccccc4s3)C(=O)CN2C[C@@H]2CCCO2)CC1=O 1873711415 SPNVTQHMCPWRIH-CVEARBPZSA-N 468.579 2.402 30 10 JEEE COC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)(C)C)C2)n1/N=C/c1ccccc1C(=O)O 1874277988 IEFOQYFPQMWCCW-GGPGUOJZSA-N 459.528 2.238 30 10 JEEE CCOc1ccc(Cc2nnc(SCC(N)=O)n2/N=C/c2ccc(O)c([N+](=O)[O-])c2)cc1 1874302802 RDGKEJNHEXBIMF-SSDVNMTOSA-N 456.484 2.341 30 10 JEEE N#Cc1ncccc1OC1CN(C(=O)C[C@H]2CSc3nc4c(cnn4-c4ccccc4)c(=O)n32)C1 1891754885 NSIPQXJVNTZELQ-INIZCTEOSA-N 485.529 2.176 30 10 JEEE Cn1nc(C(=O)N2CC(NC(=O)OCc3ccccc3)C2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2247915041 VJZGAXGOYSJAJY-UHFFFAOYSA-N 474.754 2.124 30 10 JEEE C[C@@H](CN(C)C(=O)OC(C)(C)C)NC(=O)c1nn(C)c(Cl)c1B1OC(C)(C)C(C)(C)O1 2255649861 MJURRWLICCUQLE-LBPRGKRZSA-N 456.780 2.358 30 10 JEEE CC(C)(C)OC(=O)N[C@H](C(=O)NCc1sccc1B1OC(C)(C)C(C)(C)O1)C1COC1 2256629219 RERVFCBPHHKTKE-INIZCTEOSA-N 452.382 2.203 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N[C@@]2(C(=O)O)CCCN(C(=O)OC(C)(C)C)C2)C1 2266505833 HFVMDQYDKLTOQO-UJRRCDGMSA-N 465.547 2.264 30 10 JEEE CN(CCOCCNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2267366389 FSENDGZUBXGSQP-UHFFFAOYSA-N 490.453 2.209 30 10 JEEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@H]3CN(Cc4ccccc4)CCO3)s2)OC1(C)C 2267366531 HOYUVFZOGYICTJ-SFHVURJKSA-N 478.445 2.227 30 10 JEEE CC(C)(C)OC(=O)N[C@]1(C(=O)O)CCN(C(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2267597428 VGBHFMGJJOHBPM-OAQYLSRUSA-N 466.365 2.241 30 10 JEEE Cc1csc(CN(C)C(=O)[C@H](CO)CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2268718631 YMAHYJCLQKHUAZ-HNNXBMFYSA-N 468.425 2.447 30 10 JEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CCNc2cccc(B3OC(C)(C)C(C)(C)O3)n2)C1 2281490356 SLMMUMDZJODPLY-MRXNPFEDSA-N 481.424 2.217 30 10 JEEE C[C@@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1)C1CCN(C(=O)OC(C)(C)C)CC1 2281964711 BJDXKEAKJUENSW-OAHLLOKOSA-N 462.400 2.485 30 10 JEEE Cn1cc(C(=O)N2CC[C@@H]3[C@H](CCN3C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2281975960 UZXVAMFTXLUGIY-NVXWUHKLSA-N 460.384 2.191 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](CNC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C12CC2 2282176532 ADMXDWKIRSWHJV-HNNXBMFYSA-N 458.368 2.295 30 10 JEEE CC(C)(C)OC(=O)N1CCCC[C@H]2[C@H]1[C@@H]2NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2282188535 XEJGEXYWSXHMNH-KYJSFNMBSA-N 458.368 2.294 30 10 JEEE CC1(C)OB(c2c(F)cccc2C(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)OC1(C)C 2282403819 YLEORXCLYQIRPM-VWLOTQADSA-N 454.351 2.492 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@]12CC[C@H]1CN(C(=O)OC(C)(C)C)C2 2282483650 AVBSUTKNUOYJJM-NPMXOYFQSA-N 460.384 2.096 30 10 JEEE CON(C(=O)c1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2282558376 IAVTUBURZGLADE-HNNXBMFYSA-N 464.372 2.041 30 10 JEEE Cc1nn(C)c(C(=O)NC[C@@H]2N(C(=O)OC(C)(C)C)CC2(C)C)c1B1OC(C)(C)C(C)(C)O1 2282558956 MKKDYRLWNNKPSS-HNNXBMFYSA-N 462.400 2.403 30 10 JEEE Cc1nn(C)c(C(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C)c1B1OC(C)(C)C(C)(C)O1 2282586241 WKGLMEYNRDRIFJ-HOCLYGCPSA-N 462.400 2.261 30 10 JEEE CC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nn(C)c1C 2282591774 UQMHBRUVVHAZKQ-MRXNPFEDSA-N 462.400 2.499 30 10 JEEE CN1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(Cl)s2)[C@H](CNC(=O)C(F)(F)F)C1 2282628689 PCZHGIXFILMIKM-LLVKDONJSA-N 495.760 2.135 30 10 JEEE Cc1cccc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2O)c1B1OC(C)(C)C(C)(C)O1 2282689293 GSUJACVVLKSIML-QZTJIDSGSA-N 460.380 2.394 30 10 JEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@@H]1CCCCN1Cc1ccccc1 2282858121 RXCXUGQRNOKEJZ-IBGZPJMESA-N 474.436 2.052 30 10 JEEE CN(Cc1ccccc1B1OC(C)(C)C(C)(C)O1)C(=O)CC1(O)CN(C(=O)OC(C)(C)C)C1 2283955877 HRIYOCWWNHMVCS-UHFFFAOYSA-N 460.380 2.316 30 10 JEEE Cc1cc(S(=O)(=O)N[C@@H](COCc2ccccc2)C(=O)O)ccc1B1OC(C)(C)C(C)(C)O1 2284413005 ZXVMLAGSFYJCMJ-FQEVSTJZSA-N 475.372 2.243 30 10 JEEE C[C@H](O)CN(CCNC(=O)OC(C)(C)C)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2285350411 NQTQWKVYTDMTRX-HNNXBMFYSA-N 466.359 2.473 30 10 JEEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)[C@@H]2F 2359265686 ICGPMIAEAGDPBG-OEAJRASXSA-N 464.347 2.317 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](CNC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C2(CC2)C1 2361544710 WRNZTSMZQWDOGW-OAHLLOKOSA-N 458.368 2.153 30 10 JEEE Cc1cc(CNC(=O)[C@]2(NC(=O)OC(C)(C)C)C[C@@H](O)C2)cc(B2OC(C)(C)C(C)(C)O2)c1 2369687068 ZOVKEJYKDYCNCQ-OWWJJEGGSA-N 460.380 2.329 30 10 JEEE Nn1c(N/N=C/c2cc(Cl)ccc2O)nnc1SCC(=O)Nc1cccc([N+](=O)[O-])c1 21320283 DFPZDOQFQSPSNI-DNTJNYDQSA-N 462.879 2.436 30 10 JEEE C=CCN1C(=O)N[C@H](c2ccc(OC)cc2)C(C(=O)OCC)=C1CN1CCN(C(=O)CC)CC1 36026064 PLVGAUBSMMMARN-HSZRJFAPSA-N 470.570 2.319 30 10 JEEE COc1nc(N2CCN(c3ccccc3C#N)CC2)ncc1C(=O)NCc1ccc2c(c1)OCO2 37523958 CYKQTAVYBJUWKR-UHFFFAOYSA-N 472.505 2.342 30 10 JEEE CCOCCCN1C(=O)/C(=C\c2c(C)c(C#N)c(=O)n(C)c2N2CCN(CC)CC2)SC1=S 97474668 BWRGIVHEKBJOCW-XMHGGMMESA-N 489.667 2.335 30 10 JEEE CC(=O)Nc1cc(S(=O)(=O)O)cc2c1C(=O)/C(=N\Nc1ccccc1C)C(S(=O)(=O)O)=C2 100224493 RBSPVABWZYAKJI-PYCFMQQDSA-N 479.492 2.093 30 10 JEEE in-vitro C=CCN1C(=O)c2ccc(C(=O)N3c4ccccc4CC[C@H]3C(=O)N3CCN(C)CC3)cc2C1=O 488513262 JVXMSQZDPBAVGJ-QHCPKHFHSA-N 472.545 2.204 30 10 JEEE CNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1c(Cl)ccc(C)c1Cl 729673265 WDPJFACBOAJSJQ-UHFFFAOYSA-N 484.368 2.411 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2c(C(=O)OC)cc(OC)c(OC)c2OC)ccc1F 914469258 KXNXXVBSUKKAOS-UHFFFAOYSA-N 482.486 2.355 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCSCC=C)c1 1286311802 QBSVJNIESLOGOQ-GOSISDBHSA-N 473.624 2.156 30 10 JEEE C#CCN(CC#CC)c1nnc(CSc2ccccc2OC)n1C[C@H]1CCCN1S(C)(=O)=O 1286434609 QDNKYSJHUZFJRU-LJQANCHMSA-N 487.651 2.466 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(F)cn1 1286454654 NGSSPMJEACYXPS-HNNXBMFYSA-N 460.510 2.250 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCN(c2nccnc2C)CC1 1286550069 CBWWZXVZJNLTCM-ACRUOGEOSA-N 471.606 2.408 30 10 JEEE C=C(C)COCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C(C)(C)C)CC1 1286604051 NUZKXZQEMDMJOG-UHFFFAOYSA-N 451.579 2.434 30 10 JEEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@H](COC)C1 1286688950 UUEBLTXINYVYLN-RBUKOAKNSA-N 455.625 2.220 30 10 JEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(Oc2cncc(Cl)n2)CC1 1286710798 DAGJJLIDJPOFNT-MRXNPFEDSA-N 497.021 2.264 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CC[C@@H](N2CCCC2=O)C1 1286817445 SOFGETAWYNXJGI-MRXNPFEDSA-N 463.991 2.400 30 10 JEEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)c2ccccc2)CC1 1286835139 RHQFGSVDZCJFNZ-UHFFFAOYSA-N 454.600 2.282 30 10 JEEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCN(C)C2)CCN1C(=O)OC(C)(C)C 1291217652 FVSXWPOVYRWBSZ-AVRWGWEMSA-N 481.601 2.329 30 10 JEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1300339306 LTYRGJYOXLVXBC-INIZCTEOSA-N 466.011 2.067 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1ccc(COCC)cc1)[C@@H]1CCS(=O)(=O)C1 1300499568 VCYVRYFZZYEODC-HSZRJFAPSA-N 479.606 2.475 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1CCN1CCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1300502255 ROPWUTSDOUZZHV-IFMALSPDSA-N 455.628 2.174 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@H](C)CN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1300502449 URYCLPWEHUMYIW-UYAOXDASSA-N 461.657 2.289 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCCc2cccc(C)n2)CC1 1300685037 DTBHCDBFRCDTGD-VWLOTQADSA-N 452.603 2.410 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@H]2CN(CC(C)C)CCO2)CC1 1300707768 JDZOYJSGMACKSE-XMMPIXPASA-N 466.630 2.278 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccccc2OC)nnc1N1CCO[C@@H](CNC(C)=O)C1 1300898604 YQKKWUJLDCRUMP-SKPFHBQLSA-N 485.585 2.188 30 10 JEEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1301143663 NCUBSMXBPUKIEE-MRXNPFEDSA-N 472.977 2.356 30 10 JEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1301188210 HMJVOXLCPWOACB-QUCCMNQESA-N 477.635 2.215 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2cc(F)cc(F)c2)C1 1301539735 WEPVFOMGYCFTCK-KBXCAEBGSA-N 455.531 2.191 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1301577182 LDMOVULIEKVFPD-UHFFFAOYSA-N 464.592 2.031 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1C[C@@H](C)CC[C@@H]1C 1301579440 RTFVPAIHRGGEAI-IRXDYDNUSA-N 480.660 2.464 30 10 JEEE C[C@@H](CN1CCOCC1)Cn1c(-c2cccc(C#N)c2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1303753842 DVSWNPUIFBVDRJ-SIKLNZKXSA-N 486.642 2.189 30 10 JEEE C[C@]1(C#N)CCCN(c2nnc(CN3CCCC3=O)n2Cc2cccc(CS(C)(=O)=O)c2)C1 1303939272 BWXVLYQEIDGPIV-HSZRJFAPSA-N 470.599 2.123 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](C)CNC(=O)OC(C)(C)C 1358968404 KSELSHLSSJNFKQ-KRWDZBQOSA-N 451.531 2.159 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCn1cc(Br)cn1 1358974029 OJZGJLGGFBHXJM-UHFFFAOYSA-N 491.357 2.043 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCc2ccccc2F)CC1 1359040036 FYKUOMSWMJOGLK-UHFFFAOYSA-N 475.528 2.273 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C/C=C/CC)CC1 1359041889 LMGNSNOTMULEDF-VOTSOKGWSA-N 455.584 2.281 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C(=O)NCCCC)CC[C@H]1C 1359056224 AVUSRVLPZUJIEP-CEXWTWQISA-N 481.688 2.068 30 10 JEEE C=C(C)CN(CC)c1nnc(COc2ccccc2F)n1CC1(O)CCS(=O)(=O)CC1 1359116349 IDIZSFWIQQKRAX-UHFFFAOYSA-N 452.552 2.338 30 10 JEEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1359183658 QRTQBVYWKZMAGE-INIZCTEOSA-N 466.546 2.000 30 10 JEEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1359222158 ZZERZFUWIVKPEK-UHFFFAOYSA-N 463.586 2.301 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c(-c2cnccn2)nnc1N1CCN(C(C)=O)C[C@H]1C)C(C)C 1359265657 JYKMYBBMYJFKCF-KNQAVFIVSA-N 452.607 2.491 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1359296243 BUYDBWCBIQZEML-UHFFFAOYSA-N 465.455 2.141 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1C[C@H](CC)O[C@H](C)C1 1359298738 KLCVGZHBGDAPHG-MSOLQXFVSA-N 479.585 2.371 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCC(CC(=O)N(C)C)CC1 1359303872 DEARAPWMKRFPCP-UHFFFAOYSA-N 468.602 2.471 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C2CCC(C)CC2)CC1 1359334410 DRWMJXCPAPYRMF-UHFFFAOYSA-N 489.690 2.441 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1C[C@H](C)N1CCc2ccccc2C1 1360671115 CLYIZPSVFQBLGR-ROUUACIJSA-N 471.631 2.075 30 10 JEEE COCC(C)(C)CCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1504543244 AOFITVFDOUGHBI-SFHVURJKSA-N 483.621 2.246 30 10 JEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)NCc2ccc(C)cc2)CC1 1507573398 GRSWOYSFAHBPFQ-LJQANCHMSA-N 486.642 2.143 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1cccnc1OCCC)[C@H]1CCS(=O)(=O)C1 1507631701 RWADNVGTAKDHQX-SFHVURJKSA-N 454.556 2.132 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(F)c(OC)c2)CC1 1507845187 XXDQAPNJMBFSPN-SFHVURJKSA-N 493.605 2.247 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(F)cn2)CC1 1507914491 MCYKXEKOFXMTCT-MRXNPFEDSA-N 465.599 2.351 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@@H]1C[C@H](OCC)C1(C)C 1508088679 URLRKALVZRFBAR-MOPGFXCFSA-N 479.585 2.134 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](C)[C@H]1C 1508134638 HECMSPYFFFNXTG-HZPDHXFCSA-N 452.602 2.184 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 1508144349 PPMBIXZDYXICIP-LAUBAEHRSA-N 460.600 2.482 30 10 JEEE CC(C)CCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccnc1N1CCOCC1 1509296947 FWJXLNKMVVTUEL-FQEVSTJZSA-N 466.590 2.275 30 10 JEEE CCO[C@]1(c2nnc(N(C)[C@H](C)CC#N)n2Cc2ccccc2CN2CC[C@H](O)C2)CCOC1 1516127499 CDNVDEDQCNZCDF-RZTXVSJASA-N 468.602 2.283 30 10 JEEE CN(Cc1cccc(C#N)c1)c1nnc(C(=O)Nc2ccccn2)n1CCN1CCN(C)C(C)(C)C1 1517127259 DKWDVDZEGYRQFJ-UHFFFAOYSA-N 487.612 2.459 30 10 JEEE CO[C@]1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(NC(=O)C(C)C)CC2)CCOC1 1517946736 DKITVYHYKHIFPM-VWLOTQADSA-N 482.585 2.275 30 10 JEEE COc1ccc(CCn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@H](C#N)C2)c(OC)c1 1518230938 BUAYDELRUCKXJD-GOSISDBHSA-N 482.566 2.258 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1ccccc1)C1CC1 1539012868 GUJSVDGYWPDPPQ-DZFGPLHGSA-N 457.600 2.263 30 10 JEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C[C@@H]2CCOC2)C1 1539072626 SPIIGYGVIAUBFB-HKBOAZHASA-N 479.647 2.058 30 10 JEEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 1539088970 CQCZSRYVWSRTSF-UHFFFAOYSA-N 461.501 2.440 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC(O)(CC)CC)[C@H]1CCS(=O)(=O)C1 1539203584 SJMNURDFPCBLRI-FQEVSTJZSA-N 487.626 2.325 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1CCn1cc(Cl)cn1)[C@@H]1CCS(=O)(=O)C1 1539226068 UEQHPMWPYIXIRS-QGZVFWFLSA-N 465.004 2.107 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC1CC(OC(C)(C)C)C1 1539415823 HJHRQDOWTSIWTQ-XBMUEBEBSA-N 452.621 2.250 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2C[C@@H](OC)C(C)C)CC1 1539474545 SPWNNPBFNBOLSZ-JOCHJYFZSA-N 467.570 2.353 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)ccc3C)n2CCCc2cnn(C)n2)CC1 1539489781 XMJZERMARLFDAV-UHFFFAOYSA-N 490.612 2.201 30 10 JEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](O)(c2cccc(F)c2)C1 1540036801 VBFSBMUCVPQORQ-VGOFRKELSA-N 464.563 2.010 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCCCS1(=O)=O 1540121787 WXDXNMMACVENSR-FQEVSTJZSA-N 470.599 2.448 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2csc(CC)n2)C1 1540891906 BJBPJVVZCFUORD-RDJZCZTQSA-N 451.618 2.223 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)c2ccc(C)cc2)CC1 1540902183 CIZDFILZKYAVIZ-OAQYLSRUSA-N 487.626 2.044 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCCN1C[C@H](C)C[C@@H](C)C1 1543595514 ARYMDLSQOJNUMQ-NHCUHLMSSA-N 493.660 2.378 30 10 JEEE C#C[C@H](NC(=O)N1CCN(c2nccn3cnnc23)[C@@H](C)C1)c1ccc(Br)cc1 1565000128 TVCYUCRTNAEXJI-YOEHRIQHSA-N 454.332 2.481 30 10 JEEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1587884377 VTQJPEMLEVKLHU-UHFFFAOYSA-N 470.599 2.392 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCOC[C@H]2CCCO2)CC1 1588762892 OXWGHCQJAGGKOO-GOSISDBHSA-N 477.407 2.377 30 10 JEEE C#CCSCCn1c(-c2ccccc2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1589037332 XWWQEFHCQFDBDR-DENIHFKCSA-N 452.628 2.300 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1csc([C@@H](C)OC)n1 1589149830 AHWWBPIVUPCDKN-IQUTYRLHSA-N 452.606 2.093 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CCOC)[C@H](CCC)C1 1589485004 WZQKWFMAGAMWQZ-VSKRKVRLSA-N 474.650 2.432 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CCS(=O)(=O)CC1 1589545080 LIVMCWHSBPPALL-FOIQADDNSA-N 452.527 2.363 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1NC(=O)CC1(C)C 1595076068 SAHMASPOQABDKN-RBUKOAKNSA-N 452.559 2.345 30 10 JEEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1595405455 PQTNIPQGSMEWGA-HXUWFJFHSA-N 497.600 2.198 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1595490503 UMCKAEMJZXNGSK-GOSISDBHSA-N 476.585 2.331 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1595799035 VWFRWDQJYQNPSL-FQEVSTJZSA-N 490.586 2.355 30 10 JEEE CCCC(O)(CCC)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1614415339 GUYGNQQFKRPMOR-OAQYLSRUSA-N 454.575 2.489 30 10 JEEE CCN1C[C@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2CCCN(C)S(=O)(=O)CC)C[C@@H]1C 1615760016 GUYQFYYKKDTRED-OALUTQOASA-N 473.647 2.407 30 10 JEEE C#CCNS(=O)(=O)N1CCN(C(=O)c2oc3cc(OC)ccc3c2-c2ccccc2)CC1 1632961411 ZIZOQSYUXSEHPX-UHFFFAOYSA-N 453.520 2.334 30 10 JEEE C[C@@H]1C[C@H](NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CCN1C(=O)OC(C)(C)C 1635694408 CNUPNLYIYDSIPB-HUUCEWRRSA-N 450.561 2.019 30 10 JEEE C=C(C)C[C@H](CO)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1 1643543657 YOUUMAHNRGBCPN-QWHCGFSZSA-N 451.408 2.355 30 10 JEEE C#CCN1CCC[C@@H](NC(=O)[C@H](CCSC)NS(=O)(=O)c2ccc3ccccc3c2)C1 1644638581 VANZXMQSLPPEDR-IRLDBZIGSA-N 459.637 2.454 30 10 JEEE Cc1nc(C#N)c(N2CCN(C(=O)CN(C)[C@@H](C)c3cccc(N4CCOC4=O)c3)CC2)o1 1658446007 HFIOVICEBQLNST-INIZCTEOSA-N 452.515 2.153 30 10 JEEE C=CC[C@H]1CCCC[C@H]1NCC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 1659401885 XEKJPRWYADFHQR-PKOBYXMFSA-N 451.589 2.379 30 10 JEEE C#CC[C@H](CCOC)NC(=O)N1CCN(CC(=O)Nc2ccc(Br)cc2)CC1 1683130115 HFWRGZDQPYXINN-QGZVFWFLSA-N 451.365 2.143 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1689929867 GIIZZLQVAWIHRA-QFIPXVFZSA-N 480.594 2.190 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1CC1(COC)CCOCC1 1690104342 UCWOISMBCAFYMS-OAQYLSRUSA-N 456.543 2.320 30 10 JEEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1690234780 NIOHJURWLRVBMH-MPTYRVRUSA-N 454.369 2.158 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1690249311 WXIBYXMTVDMQAH-XXBNENTESA-N 488.658 2.495 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCN(CCOC)C(=O)C1 1690253467 QYQYSLIPQZZLLR-FDDCHVKYSA-N 473.549 2.272 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C(F)(F)F)n1 1690264923 GVXZRFGXAJNRLT-MRXNPFEDSA-N 488.536 2.476 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)c1ccc(F)cc1 1690265329 MRSCZHGMJPMGEJ-UGKGYDQZSA-N 481.594 2.060 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(OC)c(F)c2)C1 1690700760 XKTZRFUONSTVSX-DLBZAZTESA-N 450.536 2.158 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@@H](COC)C1 1690721159 ZRZNHPPUGAVUKD-QGZVFWFLSA-N 462.572 2.180 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1Cc1ccnc(OC(F)F)c1)[C@H]1CCS(=O)(=O)C1 1705562681 HVLPWTCEBSUFKH-IBGZPJMESA-N 498.515 2.488 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1CC(C)(C)COC)[C@H]1CCS(=O)(=O)C1 1705568561 QCNICBBIMPAVOB-KRWDZBQOSA-N 464.563 2.296 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)c1nc(-c2ccccc2)no1 1705613342 YQIJLTOZKGTYKC-FUHWJXTLSA-N 454.556 2.493 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H]1CCOC[C@@H]1OC 1705621025 OLEZFKKYILOBHQ-FPOVZHCZSA-N 455.559 2.285 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CC[C@](C)(O)c2ccccc2)CC1 1705632554 TXCUCHKNHSFDEN-VWLOTQADSA-N 452.603 2.250 30 10 JEEE C#CCSCCn1c(COc2ccc(C)cc2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1705665772 DBIMHWQJQXPDSI-OAQYLSRUSA-N 482.610 2.299 30 10 JEEE C=CC[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ncccn2)CC1)c1ccccc1 1705795298 GZLFXOHIZQPZGO-CTNGQTDRSA-N 496.641 2.365 30 10 JEEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1CCN(C(C)=O)CC1 1705835360 IESZUGJMLNEEHN-UHFFFAOYSA-N 459.620 2.427 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1NC(=O)CC1(C)C 1705878237 LQSCUXNJRCANPC-WOJBJXKFSA-N 471.627 2.330 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H]2CC[C@H](CO)O2)C1 1705927587 AXEYACUTIHYNLT-LJDSDSDDSA-N 477.606 2.370 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCN(Cc2ccccc2C)CC1 1705937509 WMDXZKXAWAEAIS-UHFFFAOYSA-N 480.638 2.495 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](C#N)C1 1706159026 BVPRENDURGMCCZ-DLBZAZTESA-N 482.545 2.054 30 10 JEEE COCC(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCO[C@H](C)C2)CC1 1712113674 CJAVZCGIHCEUKJ-UYAOXDASSA-N 482.585 2.275 30 10 JEEE N#Cc1ccc(OCc2nnc(N3CCC(CCC(N)=O)CC3)n2CCN2CCSCC2)cc1 1712880369 GWHMYDSMDSPDGZ-UHFFFAOYSA-N 483.642 2.259 30 10 JEEE C#CCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1722354821 AVDMTRZYWKZHPW-IBGZPJMESA-N 457.542 2.299 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1C[C@H]1CN(Cc2ccccc2)CCCO1)[C@H]1CCS(=O)(=O)C1 1722358600 JLKQXXFVRSNUJE-XZOQPEGZSA-N 499.681 2.493 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H](C)Oc1ccccc1C)[C@@H]1CCS(=O)(=O)C1 1722367269 MIBDLPMCIQKQAT-VAMGGRTRSA-N 458.584 2.185 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1722443163 OIDUHDDTWYFQRA-HNNXBMFYSA-N 493.992 2.138 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(CCc2ccc(OC)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1722475270 YLKPIKVJDKCNOI-YADARESESA-N 450.543 2.052 30 10 JEEE C=C(Br)Cn1c(-c2ccc[nH]2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1722482502 VYXJEPNPNFMWBO-KDOFPFPSSA-N 462.396 2.171 30 10 JEEE C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1722518856 RABWALIFHMYJBJ-UHFFFAOYSA-N 478.395 2.196 30 10 JEEE C=C(C)COCCn1c(-c2cccc(OC)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1722530981 KXEDRIOSSUWCLN-LJQANCHMSA-N 454.531 2.019 30 10 JEEE C=C(Cl)Cn1c(Cc2ccsc2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1722579463 FEGLVLGKXYSJBM-KRWDZBQOSA-N 472.036 2.314 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(=O)OCC)CC1 1722723876 HLLYYWMKQSPPCZ-QGZVFWFLSA-N 495.577 2.437 30 10 JEEE CC(C)NS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](c2nccs2)C1 1723660007 BBDCWLKHLPSTGU-GOSISDBHSA-N 487.611 2.179 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CCCn2ccnc2C)c1 1740563345 SVZFXFFGBYNZBQ-UHFFFAOYSA-N 457.542 2.330 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2CCN2CCSCC2)c1 1740564908 BREKYMLBUIYWRZ-HXUWFJFHSA-N 454.600 2.235 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CC(=C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1740616567 CRMRBDXQCZQGTD-URXFXBBRSA-N 470.595 2.270 30 10 JEEE C#CCN(c1nnc(COc2ccccc2OC)n1Cc1nc(C)cs1)[C@H]1CCS(=O)(=O)C1 1740627371 HCBFCWNBHLYHRS-KRWDZBQOSA-N 487.607 2.306 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)Cc1ccc(OC)c(OC)c1 1740637782 HWFZVADPHNDDRR-QUCCMNQESA-N 470.595 2.149 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC[C@@H]1COCCO1 1740685770 QRLFJWNSHCVYPQ-WOJBJXKFSA-N 477.606 2.284 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2Cc2ccc(C)n(C)c2=O)CC1 1740700290 NBZOCPWTHQAEGM-NRFANRHFSA-N 495.628 2.161 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@H]2CCCCO2)CC1 1740707883 UHPCURDZYLVNJN-QFIPXVFZSA-N 467.570 2.401 30 10 JEEE C#CCSCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1740718428 OICDJIRSZJVVCQ-GUDVDZBRSA-N 488.658 2.474 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2ccsc2)CC1 1740751310 ITVMQZFVOHAHTH-HOJAQTOUSA-N 494.687 2.253 30 10 JEEE C=CC1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(OCCO)c(OC)c2)CC1 1740841271 LHDZLIBQCOZTRR-UHFFFAOYSA-N 455.559 2.231 30 10 JEEE C=CCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1740879307 JOFSIEVDDICRAH-UHFFFAOYSA-N 482.629 2.421 30 10 JEEE C=CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CC1(C(=O)N(C)C)CCCC1 1740940585 LUWPSZQGPDJATF-UHFFFAOYSA-N 458.563 2.293 30 10 JEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1740963710 UPMUNKTZSRQMOW-RBUKOAKNSA-N 486.621 2.181 30 10 JEEE CCOc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1CCN1CCN(C)C(C)(C)C1 1746888797 GTTKKSIMXWAIIM-HXUWFJFHSA-N 483.617 2.011 30 10 JEEE CNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)c2nccs2)CC1 1748287492 FSXNOWPHRGKDTR-INIZCTEOSA-N 466.571 2.450 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1C[C@H](c1ccc(C)o1)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1748818343 YYIXSSHDEZVTIN-LEWJYISDSA-N 489.642 2.078 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)ccc3Br)n2CCc2n[nH]c(C)n2)CC1 1748979683 JBJRANOYKBYHSQ-UHFFFAOYSA-N 485.390 2.141 30 10 JEEE C#CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN2CCOC[C@H]2C1 1749050131 WUDKBAMVNOZRGK-MOPGFXCFSA-N 476.647 2.237 30 10 JEEE C=C(C)Cn1c([C@H](C)CC)nnc1N1C[C@@H]2[C@H](C1)[C@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1749170403 NKESPOGISCUHGG-QBPKDAKJSA-N 453.609 2.494 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H]1CCOC1 1749547655 VOEPANOBFSMNDQ-WIYYLYMNSA-N 493.605 2.369 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1749733782 CFJRMSPHTQGCSO-UHFFFAOYSA-N 454.641 2.098 30 10 JEEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1CCCC1)[C@@H]1CCS(=O)(=O)C1 1760180682 JKXVWQMPCVODSO-DENIHFKCSA-N 450.605 2.136 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)N2CCCC2)n1CC(C)(C)C(=O)NCC 1760240270 MIFUQCCKGIWLRH-UHFFFAOYSA-N 454.550 2.455 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(C2OCCO2)c1 1760242395 BKWXLZCLIPQMSR-UHFFFAOYSA-N 462.510 2.105 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1CCCN1CCN(CC)CC1 1760290291 AUWREHYTECEITN-RPBOFIJWSA-N 458.651 2.338 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1[C@H]1CCCO1 1760316140 MTBKURIIZNJVQY-VHPHOLNESA-N 453.609 2.017 30 10 JEEE C=CCN(CC=C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCOC[C@@H]1OC 1760493861 DCAHBOQNGZLNEO-PXNSSMCTSA-N 450.543 2.422 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC2CCN(C(=O)OC)CC2)C1 1760536164 DKCQPBPAWQTEIN-CVDCTZTESA-N 463.579 2.190 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3OC)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1760540793 OUOFRJGZGXAXRV-JEBJBBSMSA-N 464.526 2.261 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Br)c2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1760550555 BDAJIQURFUFDRM-HXUWFJFHSA-N 494.415 2.167 30 10 JEEE Cc1csc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](c3cccc(C#N)c3)C2)n1 1762232931 CKPKJXNRAJHMSE-MAUKXSAKSA-N 487.611 2.151 30 10 JEEE CCOC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)NC(C)C)C1 1767304211 FPFVMCFNJSMWEQ-IBGZPJMESA-N 453.547 2.446 30 10 JEEE CN(C)C(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1768435400 APKITULNMDRHOZ-QGZVFWFLSA-N 477.491 2.190 30 10 JEEE Cn1cccc(C(=O)N2CCN(Cc3ccc(C(=O)Nc4ccc(C#N)cc4)cc3)CC2)c1=O 1860878628 WZVHGTZCNPFDLU-UHFFFAOYSA-N 455.518 2.467 30 10 JEEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1C(=O)O 1862757647 KXVCTMWXLKJYMW-GOSISDBHSA-N 453.407 2.007 30 10 JEEE CC(C)OC(=O)c1ccc(Cn2nnc(C#N)c2NS(=O)(=O)c2ccc3nc(O)oc3c2)cc1 1870095451 LGBLCIHCXFTEAC-UHFFFAOYSA-N 482.478 2.411 30 10 JEEE CC(=O)Nc1ccc(C)c(-n2nnc(C#N)c2NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)c1 1870149212 IMEXTKMOSXXGNX-GOSISDBHSA-N 457.494 2.393 30 10 JEEE COc1ccc(N2C[C@@H](C(=O)Nc3c(C#N)nnn3-c3cc(NC(C)=O)ccc3C)CC2=O)cc1 1870159200 JJVHQPYJZOWWMW-INIZCTEOSA-N 473.493 2.406 30 10 JEEE CC[C@@H](C)[C@H](C(=O)NC1=C(c2nc(C)cs2)C(=O)CN1CCOC)N1C(=O)c2ccccc2C1=O 1873710424 DGSLVLPTENMZTB-JLTOFOAXSA-N 496.589 2.478 30 10 JEEE CCN1CCN(CC#CCOC2CCN(C(=O)c3nc(SC)ncc3Cl)CC2)CC1 1889382097 FGWYANBVKZYNNG-UHFFFAOYSA-N 452.024 2.114 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CC[C@H]1NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2247881283 VETHALXCJHSYPH-UONOGXRCSA-N 458.411 2.381 30 10 JEEE CC(C)(C)OC(=O)NCCCN(CCO)C(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2255696567 VVQCXKNFHYQNBR-UHFFFAOYSA-N 454.398 2.397 30 10 JEEE Cc1ccc(S(=O)(=O)N[C@@H]2C[C@@H]2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2255930874 BPBGTMWEUZOFSZ-JKSUJKDBSA-N 452.382 2.238 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)[C@H](C(=O)O)C1 2266998840 IZJVKESKAIIJEN-HNNXBMFYSA-N 466.365 2.193 30 10 JEEE 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)cs1 2267130758 RRZRVRJLMDAMSO-SVGFKBNWSA-N 464.393 2.458 30 10 JEEE Cc1nc(C(=O)NCc2c[nH][nH]c2=NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2267171292 IEQLRMATWANICC-UHFFFAOYSA-N 463.369 2.173 30 10 JEEE CC(C)(C)OC(=O)NCCc1nc(=NC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)s[nH]1 2267176110 VNEDNDNRSKVBFN-UHFFFAOYSA-N 481.409 2.035 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2[C@H]1NC(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2267287293 UVELIRRPHGWICG-UKMLZYKCSA-N 464.393 2.458 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](NS(=O)(=O)c2ccc(F)c(B3OC(C)(C)C(C)(C)O3)c2)C1 2267473997 NJAWIPYFGNKGTM-OKILXGFUSA-N 470.372 2.459 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@H](CCNC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C1 2267545120 DUUBHRLZCXCGFJ-AWEZNQCLSA-N 467.397 2.198 30 10 JEEE CC1(C)OB(c2ccc(C(=O)N[C@@H]3CCOC[C@@H]3NC(=O)OCc3ccccc3)nc2)OC1(C)C 2267594959 GFHBAFNQPIBUCF-CTNGQTDRSA-N 481.358 2.195 30 10 JEEE Cc1cc(S(=O)(=O)N[C@H]2C[C@H]2CNC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2267703884 DJPULMQWCAOFPT-YJBOKZPZSA-N 466.409 2.486 30 10 JEEE COc1cc(CNC(=O)CN(OC)C(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2273770484 WFKVXNCCKQZFQR-UHFFFAOYSA-N 450.341 2.409 30 10 JEEE Cn1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2281958908 JMWTZANPDOFHEZ-MUJYYYPQSA-N 460.384 2.380 30 10 JEEE Cn1cc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)CC2(F)F)c(B2OC(C)(C)C(C)(C)O2)n1 2281975214 JQJPZYLVOSNTRT-CQSZACIVSA-N 470.326 2.094 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@@H]3CCN(C(=O)OC(C)(C)C)[C@@H]3C2)n1 2282043841 PTWKXCGRYGXTRH-NVXWUHKLSA-N 460.384 2.191 30 10 JEEE Cn1ncc(C(=O)N2CC[C@@H]3CCN(C(=O)OC(C)(C)C)[C@@H]3C2)c1B1OC(C)(C)C(C)(C)O1 2282057076 BSAKGWYHOGCZSI-NVXWUHKLSA-N 460.384 2.191 30 10 JEEE Cn1cc(C(=O)NC[C@H]2CCN(C(=O)OC(C)(C)C)C23CC3)c(B2OC(C)(C)C(C)(C)O2)n1 2282061610 NAIXYJSIWZTODS-OAHLLOKOSA-N 460.384 2.239 30 10 JEEE CC1(C)OB(c2cccc(F)c2C(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)OC1(C)C 2282143257 MSIYZTLGDIRRFC-RUZDIDTESA-N 454.351 2.492 30 10 JEEE C[C@@H](NC(=O)OC(C)(C)C)c1nc(NC(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)n[nH]1 2282185004 ALXJJYDSEWEBTE-GFCCVEGCSA-N 458.328 2.337 30 10 JEEE C[C@@H]1CC[C@@H](CNC(=O)C(F)(F)F)N(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2282189143 GGVPETIEJHSRAF-HIFRSBDPSA-N 455.286 2.300 30 10 JEEE C[C@@H]1CCN(S(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CCN1C(=O)OC(C)(C)C 2282347844 DBTZMBCWFBLAMI-MRXNPFEDSA-N 481.424 2.401 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](NS(=O)(=O)c2c(F)cc(F)cc2B2OC(C)(C)C(C)(C)O2)CO1 2282495478 NAVHIIFVJKGNMJ-ZDUSSCGKSA-N 490.334 2.093 30 10 JEEE CN(C[C@@H](O)COCc1ccccc1)S(=O)(=O)c1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2282499127 AKOXVHYFDQDFRG-GOSISDBHSA-N 479.379 2.323 30 10 JEEE Cc1c(C(=O)NC[C@H]2[C@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282542394 IKXYBHLRUPHGQI-HRCADAONSA-N 460.384 2.013 30 10 JEEE CN(C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1)[C@@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C 2282554139 YVHOTOLPQSKJND-NVXWUHKLSA-N 462.400 2.485 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCOC[C@@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1O 2282883712 DYUNNPRXEYEWGL-IRXDYDNUSA-N 462.352 2.103 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2283947146 WVLXBPWGSASJMD-HNNXBMFYSA-N 457.340 2.178 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H](C(=O)NCc2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2284067832 TYEXBYLEVNTDSF-QZTJIDSGSA-N 460.380 2.220 30 10 JEEE CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)C(=C(C)NCCC(=O)Nc3cc(C)no3)C(=O)[C@@]12C 2297591148 LDDBUUPMBUHNHJ-VWLOTQADSA-N 495.488 2.483 30 10 JEEE O=C(N[C@H]1CCNC[C@@H]1C(=O)C=Cc1ccc([N+](=O)[O-])cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 2328198345 VSUISZQAVPAPCJ-OALUTQOASA-N 469.410 2.402 30 10 JEEE COc1ccc(NC(=O)[C@H](O)[C@H](C)NC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2339735186 GDXCHDWDVPKGEE-SUMWQHHRSA-N 450.341 2.207 30 10 JEEE CCn1cc(C(=O)N2C[C@@H]3CC[C@H]2[C@@H]3NC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2359277672 LQUMRCSJTJIVBH-BHYGNILZSA-N 460.384 2.330 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(O[C@]2(C(N)=O)CCCN(C(=O)OC(C)(C)C)C2)n1 2362185893 IBWZBWAGLAZOBA-HSZRJFAPSA-N 461.368 2.323 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@H]2C)n1C 2362337702 AJZQEEJSPBKGPL-CABCVRRESA-N 462.400 2.498 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@H]2C[C@H](NC(=O)c3ncsc3B3OC(C)(C)C(C)(C)O3)C[C@H]21 2369091384 ZWPZDZCMGWDFFU-RBSFLKMASA-N 479.408 2.339 30 10 JEEE CCc1nnc(CNC(=O)CSc2n[nH]c(N/N=C/c3cc(Br)ccc3O)n2)o1 59879523 SSBLAWBZNVZCMA-KPSZGOFPSA-N 481.336 2.073 30 10 JEEE COCCCN1C(=O)C(=O)/C(=C(\O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@H]1c1ccc(OC)cc1 102544797 LYKLBSCJPWDGRO-SADKCHQCSA-N 488.562 2.404 30 10 JEEE COc1cccc([C@H]2/C(=C(/O)c3cnc(C)nc3C)C(=O)C(=O)N2CCCN(C)C)c1OC 102740505 OXPLELKPICGQFK-LCPUNJGISA-N 454.527 2.484 30 10 JEEE COc1ccc([C@@H]2/C(=C(/O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN2CCOCC2)cc1 111276568 ACDCCZUFTXDRNZ-UGUGFTGJSA-N 480.517 2.220 30 10 JEEE COc1ccc(C(=O)/N=C2\S[C@@H]3CS(=O)(=O)C[C@H]3N2Cc2ccc3c(c2)OCO3)cc1 136450012 DCZYNIODNOFXNH-KJODZNIWSA-N 460.533 2.335 30 10 JEEE CCN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)[C@H](C)Cc1ccc(OC)cc1 520196037 VNAICRXEZLPVSC-HXUWFJFHSA-N 484.622 2.353 30 10 JEEE CNS(=O)(=O)c1ccccc1N1CCN(C(=O)NCCSCc2ccccc2C#N)CC1 524372671 JQASUTVIQMLNSS-UHFFFAOYSA-N 473.624 2.231 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)[C@H](C)[S@](=O)CC(=O)Nc3ccc(C(=O)O)cc3)cc21 586341904 VSHUOPOEPKCMDS-RPLXOIEJSA-N 470.503 2.255 30 10 JEEE C#CCNS(=O)(=O)c1cccc(C(=O)N(C)C[C@H](O)c2cccc(Br)c2)c1 1161739826 WJYGDSSEPYCVIT-SFHVURJKSA-N 451.342 2.166 30 10 JEEE C#CCCCCn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1286314829 RZMREPSEAAYZJW-NFBKMPQASA-N 485.677 2.379 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@H](C)Oc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1286387197 OTICLASZFZRFCP-RBUKOAKNSA-N 483.594 2.386 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CCCNC(=O)c2occc2C)CC1 1286487879 ZLSRSHMNHSDSGV-UHFFFAOYSA-N 454.575 2.263 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2cccc(F)c2)CC1 1286492578 MTRJGDZVVFNJGI-UHFFFAOYSA-N 480.569 2.423 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](C)NC(=O)OC(C)(C)C)CC1 1286494769 QXKAURSUGPQKDZ-GOSISDBHSA-N 481.601 2.143 30 10 JEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)c2cccc(Cl)c2)CC1 1286495341 UPLRLXMKYPHRDT-UHFFFAOYSA-N 475.018 2.399 30 10 JEEE C#CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1286495580 ALFKKISQKZVNPX-AEFFLSMTSA-N 489.001 2.163 30 10 JEEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1286500969 IOSACUHLYFSLMB-ROUUACIJSA-N 451.604 2.206 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1286547747 PXQJYSPWBSMREC-JTHBVZDNSA-N 487.693 2.392 30 10 JEEE C=CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1286685841 VCLSNZDXFIOFRF-HSZRJFAPSA-N 472.615 2.268 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)C(=O)NC 1286740626 RRWVVZUSBPVVTJ-SFHVURJKSA-N 475.615 2.154 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1CCOCC1 1286764109 GIAJKLLASKUROA-IBGZPJMESA-N 477.631 2.119 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1286778761 AQHJSHKQFBRSKQ-MSOLQXFVSA-N 476.375 2.394 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1286820564 NGQSNPCWDOSCSQ-QFIPXVFZSA-N 484.626 2.314 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1286823900 ZWLZFXSWZIXZOS-MJGOQNOKSA-N 490.630 2.214 30 10 JEEE CC(C)NC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)Cc1cccc(C#N)c1 1288234679 AYPHRDBGHKITEN-UHFFFAOYSA-N 480.598 2.271 30 10 JEEE CCNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCn2cc(Cl)cn2)CC1 1296307324 FNGFOBKYIZGOJZ-UHFFFAOYSA-N 453.938 2.218 30 10 JEEE CNC(=O)c1cccc(CCn2c(Cn3nc(C)cc3C)nnc2N2CC[C@@](F)(C#N)C2)c1 1299052314 HMEGSMVAWVBTRG-HSZRJFAPSA-N 450.522 2.184 30 10 JEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)NC2CCCCC2)CC1 1300339551 OSLCEFYBGWOFDV-GOSISDBHSA-N 478.663 2.357 30 10 JEEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC(F)F)c(OCC)c1 1300458711 LFUXCJJRJRJUKL-OAHLLOKOSA-N 454.499 2.298 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CC1CN(C(=O)OC(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1 1300485408 ZXODNXFNXODQGM-SFHVURJKSA-N 489.598 2.340 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCC(=O)N1CCCCC1 1300560612 GOPNUXMYJWDBSO-UHFFFAOYSA-N 496.637 2.061 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H](C(CC)CC)N2CCOCC2)CC1 1300698590 VTOHUWFDCNWQOH-GOTSBHOMSA-N 458.651 2.412 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@](C)(O)c2ccco2)CC1 1300719190 QWMLHKICOIUPHG-SANMLTNESA-N 493.564 2.429 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2CCCO[C@H]2CCOC2)CC1 1300719412 ZWSHXFUWJCMGTF-IBGZPJMESA-N 455.534 2.246 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CC(F)(F)C2(OC)CCOCC2)CC1 1300722438 JSCGKCQCQGKKDA-IBGZPJMESA-N 495.571 2.316 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CCN2[C@@H](C)CC[C@H]2C)CC1 1300733526 KVEDZFURGJSXLY-OYRHEFFESA-N 496.685 2.287 30 10 JEEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@H](CCOC)C1 1300756564 PVUGFWXAZVKZRI-KRWDZBQOSA-N 452.584 2.421 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(=O)CC2CCCC2)CC1 1300764671 ZWIMPBDTEYUWBF-FQEVSTJZSA-N 493.699 2.166 30 10 JEEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc([S@@](C)=O)cc1 1300830551 GYTURXGFLXLUOR-JGTBNHKDSA-N 490.449 2.171 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CCOC)CC1 1300897756 UUKILMPECUVFAX-URXFXBBRSA-N 466.586 2.478 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@]1(O)CCS(=O)(=O)C1 1300900223 ALQRYRYFMHKWGW-QFIPXVFZSA-N 456.572 2.287 30 10 JEEE C=C(C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1300934797 CCODPRCIXPHQMT-UHFFFAOYSA-N 463.542 2.359 30 10 JEEE C=CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)CC[C@H]2C1)c1ccccc1 1301164244 QZGNVYCQOYETPZ-RLLQIKCJSA-N 472.615 2.059 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccc(OC)c1)C1CC1 1301326640 DSWGITNWCLBEFB-FQEVSTJZSA-N 461.588 2.017 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCCN(C(=O)C(C)C)CC1 1301483020 HKRQACFVLCSMPV-UHFFFAOYSA-N 492.422 2.043 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1301484091 ACYRCCAOALAVKY-IUODEOHRSA-N 454.409 2.312 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1301484150 BUXIEGDPEQLYNM-ZIAGYGMSSA-N 482.404 2.456 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1301568792 KFKWGLRJFNBNJD-FXAWDEMLSA-N 488.589 2.335 30 10 JEEE CCN(CC)CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C2CC2)N(C)C)CC1 1313699089 GZISPTPFMMGBGN-QHCPKHFHSA-N 478.645 2.147 30 10 JEEE CNC(=O)CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)N2CCOCC2)CC1 1315020279 DSCPFPOISBDULK-UHFFFAOYSA-N 465.602 2.280 30 10 JEEE CNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@H]2CCCCO2)CC1 1315058620 CHWNZEYYRGENDS-LJQANCHMSA-N 453.547 2.149 30 10 JEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 1358904260 AOEPGANYDGTCMO-SFHVURJKSA-N 464.636 2.063 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCC1CC(OC(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1358955072 DFGUXKZPZFYZCZ-JLAWEPINSA-N 479.647 2.027 30 10 JEEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1Cc1cccc(CS(C)(=O)=O)c1 1358997647 ZZOROQIVNWCCHO-UHFFFAOYSA-N 495.630 2.325 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CCCS(C)(=O)=O)CC1 1359040935 JYOOPEMJVGVDPG-NRFANRHFSA-N 471.627 2.221 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2CC2(N3CCOCC3)CC(OCC)C2)CC1 1359041340 TYFCLRRCIOVLMB-NBPOQWHHSA-N 486.661 2.027 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CC(=O)Nc2ccc(F)cc2)CC1 1359046152 GVOAEDBSOMDJJB-UHFFFAOYSA-N 475.528 2.008 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](c2ccc(F)cc2F)C1 1359292634 UNEDRZDNOBQGCZ-GOSISDBHSA-N 483.479 2.084 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)Cc1ncc(Cl)n1C 1359296322 FLZNAMLQOYJMAF-UHFFFAOYSA-N 457.922 2.042 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1359335323 IATJBWOODZCYOX-YADHBBJMSA-N 490.626 2.459 30 10 JEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](O)(c2cccc(F)c2)C1 1359343047 LBQYGSRMODYMEM-IIBYNOLFSA-N 466.604 2.336 30 10 JEEE C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCN(c3cc(OC)cc(OC)c3)C2)cc1 1466046687 MTHXZZDTRYVUBX-KRWDZBQOSA-N 459.568 2.424 30 10 JEEE CC[C@H](C)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCCN(S(C)(=O)=O)CC1)OC 1494988695 FOQNGMGVCABEPF-FXAWDEMLSA-N 460.604 2.350 30 10 JEEE CCCn1nc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC[S@](=O)C(C)(C)C)c2ccccc2c1=O 1501078392 BFDLGIJQOXMPON-FXTIPPFDSA-N 497.625 2.341 30 10 JEEE CN(C)[C@]1(Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CCO[C@@H](C#N)C2)CCSC1 1503385114 BXWATRPAJNCKOT-AVRDEDQJSA-N 490.033 2.028 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OCC)CCOC3)n2C[C@@](C)(O)C2CC2)c1 1507549661 KGCFNJMRNNHKDE-JWQCQUIFSA-N 467.570 2.147 30 10 JEEE C#CCCCCn1c(COc2ccccc2OC)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1507571264 VCAPCUCBASSJSP-OAQYLSRUSA-N 480.613 2.412 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1Cc1ccc(N2CCOC2=O)cc1)[C@@H]1CCS(=O)(=O)C1 1507621729 BUZLWCJORCJFDO-YLJYHZDGSA-N 471.583 2.423 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H](c2cccc(F)c2)N(C)C)CC1 1507721170 ZKOLZODICUKJRL-DHLKQENFSA-N 470.593 2.127 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2noc3c2COCC3)n1CCC(=O)NC 1507998110 KVPWJVQHEDZOOY-UHFFFAOYSA-N 452.515 2.343 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CCO[C@H]1C 1508008618 PTJNORGHHTYOIR-AQOAWAETSA-N 464.563 2.052 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1508147909 NFOBPUHGMASKCU-FGTMMUONSA-N 481.619 2.034 30 10 JEEE CC(C)C1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@@](C)(C#N)C2)CC1 1508877060 HZKFZHQQTHFSEE-PXNSSMCTSA-N 450.609 2.177 30 10 JEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](OCc2ccccc2)C1 1539071884 GPKYLOYBWRBQCA-FGZHOGPDSA-N 487.626 2.210 30 10 JEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1539206034 LYCJCZOBXNPKAF-LJQANCHMSA-N 458.975 2.430 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Cl)n1CCS(=O)(=O)CC1CC1)[C@@H]1CCS(=O)(=O)C1 1539210509 FARRMROSLAWEBO-QGZVFWFLSA-N 497.042 2.050 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@H](CC)OC)[C@H]1CCS(=O)(=O)C1 1539230290 LIGOUBVXVNMGQA-ROUUACIJSA-N 450.536 2.048 30 10 JEEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(c2cnccn2)CC1 1539497045 GONMOPWQERMVRA-UHFFFAOYSA-N 465.583 2.445 30 10 JEEE C#CCSCCn1c(-c2cc(C)nc3ccccc23)nnc1N(C)CC(=O)N1CCOCC1 1539497778 OIKXEVSHSNDGHU-UHFFFAOYSA-N 464.595 2.463 30 10 JEEE C#CCN(CC(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1)C(=O)OC(C)(C)C 1540609102 VDZDSYYCYWKCTQ-UHFFFAOYSA-N 455.964 2.043 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)Cc1ncc(Cl)n1C 1540866129 CVCNAQLSRSEFFL-UHFFFAOYSA-N 459.938 2.288 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc4cccnc34)n2CCCNS(C)(=O)=O)C1 1540888003 IAOXVAOGNMMKPT-SFHVURJKSA-N 456.572 2.214 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1540898766 UIDSTNXMMFTYHE-SFHVURJKSA-N 470.599 2.357 30 10 JEEE CNC(=O)[C@@H]1CN(C(=O)c2cncnc2)CC12CCN(c1ccc(C#N)c(C(F)(F)F)c1)CC2 1548375360 JZGDNNATGHFIAH-IBGZPJMESA-N 472.471 2.472 30 10 JEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CC(OC)(C(F)(F)F)C3)nnc12 1559038363 GIUCIXOQMUJIRT-UHFFFAOYSA-N 453.446 2.112 30 10 JEEE C#CC[C@]1(C(=O)NC2CCN(S(=O)(=O)CC(C)C)CC2)CCCN1C(=O)OC(C)(C)C 1566948626 LFGOHFRSSBRLTO-JOCHJYFZSA-N 455.621 2.346 30 10 JEEE C=CC1(CC(=O)N(C)CC(=O)N2CCC(C(=O)OCC)CC2)CN(C(=O)OC(C)(C)C)C1 1584396349 AXQOZZKHMIATTC-UHFFFAOYSA-N 451.564 2.060 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(c2ccc(F)cc2)CCOCC1 1587561728 HLSWZKVWKHMDHD-IRXDYDNUSA-N 463.579 2.234 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(Cc2ccc(F)cc2)CC1 1587639478 MAHNSIYSLSKVIA-FXAWDEMLSA-N 475.590 2.231 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3noc4c3COCC4)n2C[C@@](C)(O)CC)c1 1587690078 YUEVLLNPTIGPPF-DEOSSOPVSA-N 464.526 2.223 30 10 JEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(O)(c2c(F)cccc2F)CC1 1587707297 ZGKMTLZLMKHWIN-INIZCTEOSA-N 481.569 2.458 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@H](C)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1588034430 FWGXPBRGINOGEG-AZUAARDMSA-N 459.616 2.311 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCCc1cccc(C)n1)[C@H]1CCS(=O)(=O)C1 1588054210 LLRADOFKASVBOT-FPOVZHCZSA-N 457.600 2.135 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCCN1c1cnn(C)c1 1588279826 CIHNZGKCHVCXQO-LJQANCHMSA-N 467.599 2.211 30 10 JEEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(N(C)C)CCOCC1 1588399924 UGZNOJILYBKPQR-LJQANCHMSA-N 476.622 2.157 30 10 JEEE C=C1CCN(c2nnc(CNC(=O)c3cccs3)n2CCCN(C)S(=O)(=O)CC)CC1 1594121670 CFJFCWCZYNUSGL-UHFFFAOYSA-N 466.633 2.098 30 10 JEEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1594568305 VMJRJXBHOAOUPV-JOCHJYFZSA-N 473.666 2.102 30 10 JEEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2cc(F)cc(F)c2C1 1594812171 CPQBLKVDRHRMKA-HXUWFJFHSA-N 497.568 2.045 30 10 JEEE C=CCN(CC=C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(S(C)(=O)=O)CCC1 1595191046 LWSKTBBFSXUKKL-UHFFFAOYSA-N 454.560 2.067 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(CC(C)C)C(=O)C1 1595475967 HILPWEQISRXEMY-QGZVFWFLSA-N 458.538 2.164 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CCC(C(=O)OC)CC1 1595496667 CUFKSOCLXNSCRR-UHFFFAOYSA-N 492.374 2.408 30 10 JEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1595884611 ORBKBLXTSSUHDS-QYWGDWMGSA-N 483.660 2.203 30 10 JEEE CCOc1cc(Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@H](C#N)C2)ccc1OC(F)F 1616314425 ADQMVDDZHKYSNE-MRXNPFEDSA-N 476.484 2.291 30 10 JEEE Cc1ccc(S(=O)(=O)N[C@@H](C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)[C@@H](C)O)cc1 1617824884 HFEJOCOVNZYXLD-SJKOYZFVSA-N 457.430 2.432 30 10 JEEE C=CCn1nc(C)c(-c2cc(C(=O)N(C)CCNS(=O)(=O)c3ccc(C)cc3)n[nH]2)c1C 1620512496 ZVJSHRFRUUCBSC-UHFFFAOYSA-N 456.572 2.435 30 10 JEEE C#CCN(C(=O)C1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1)C1CCN(C)CC1 1626637780 UYRCDDFPGLNTMI-UHFFFAOYSA-N 455.983 2.436 30 10 JEEE COc1ccc(S(=O)(=O)N2CC(NC(=O)c3ccc(Br)cc3C#N)C2)cc1 1631994458 BJNDGCAKQROHGI-UHFFFAOYSA-N 450.314 2.132 30 10 JEEE C#CCC[C@H](O)CNC(=O)c1cc(O)nc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc12 1648736987 KAIUJTBRPZGCKF-INIZCTEOSA-N 457.483 2.384 30 10 JEEE C#CCN(C(=O)c1cc(C(N)=O)n(-c2ccccc2)n1)C1CCN(C(=O)OC(C)(C)C)CC1 1651973220 HGNYYOCCZNUGKR-UHFFFAOYSA-N 451.527 2.446 30 10 JEEE COc1cc(NC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)ccc1OCCN(C)C 1662749588 FAULHQOXEOMBAA-HXUWFJFHSA-N 451.527 2.430 30 10 JEEE C#CCCCCn1c(COc2ccc(F)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1689904281 PZIIINODVDQKPJ-LJQANCHMSA-N 454.506 2.272 30 10 JEEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1689916705 SJSCMWLCVNKKGF-FQEVSTJZSA-N 496.568 2.151 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCOc1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 1689990832 SLVFXIIBZYVIPA-SJORKVTESA-N 464.975 2.141 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2COc3ccccc3O2)n1CCCCN1CCC[C@H]1CO 1690048007 AAISVLQLOPPWBO-URXFXBBRSA-N 463.582 2.490 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H]1NC(=O)CC1(C)C 1690108166 RDVQFQFGRLYCHA-ROUUACIJSA-N 474.606 2.351 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCN2CCOC[C@@H]2C)CC1 1690138329 YUBFJSVYFMNDNQ-VQTJNVASSA-N 498.603 2.244 30 10 JEEE C=C(Br)Cn1c([C@@H](C)CC)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1690219429 DLZPNOGTNQBMLU-ZDUSSCGKSA-N 473.397 2.340 30 10 JEEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1690228830 GWNPSMJYOCAINK-IRXDYDNUSA-N 451.369 2.491 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)C(C)C)CC1 1690237316 XPMNIZOADFQCAT-UYAOXDASSA-N 460.623 2.482 30 10 JEEE C=C(C)CN(CC)c1nnc(CN2CCCC2=O)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1690269831 JAHHOVVFNGJWNC-MOPGFXCFSA-N 464.636 2.007 30 10 JEEE C=C(Cl)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1690332659 ILGVWCXYXPQIJI-UHFFFAOYSA-N 482.976 2.261 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccco1 1690609696 XOSGKPQTQRQYMA-IBGZPJMESA-N 461.544 2.080 30 10 JEEE C=CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1690640825 ITNKVJGTXIMMRE-QZTJIDSGSA-N 479.585 2.228 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1690662228 VNQJUQCPDDGTIU-LJQANCHMSA-N 492.584 2.160 30 10 JEEE C=CCNC(=O)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CC[C@H](CC)C1 1690675058 OOIIMNPCLBYCMS-NRFANRHFSA-N 451.619 2.181 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCCN(C(=O)C3CC3)CC2)cc1 1690677885 DCQYUQJNSFCOGG-UHFFFAOYSA-N 466.586 2.478 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCc2c(ccnc2O)C1 1690720434 JBVKXWVAAQJLAY-UHFFFAOYSA-N 450.524 2.081 30 10 JEEE CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@](C)(O)c2ccco2)CC1 1694223920 DFQGXIMRFIGIAN-SIBVEZHUSA-N 491.596 2.354 30 10 JEEE CCOCc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CCc1nccnc1C 1696330966 DBTIPTBFNCEWLI-UHFFFAOYSA-N 450.522 2.493 30 10 JEEE CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)c2nc(C)cs2)CCO1 1696962149 GZCFODWUBFRDMS-RDTXWAMCSA-N 451.556 2.337 30 10 JEEE COC(=O)N1CCC(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CC(=O)NC(C)C)CC1 1697072860 FMNNQLUMSORJBI-UHFFFAOYSA-N 483.573 2.168 30 10 JEEE COc1ccccc1OCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@H](C)N(C)C 1697616447 DVJLIKGCHLSMLJ-LJQANCHMSA-N 476.585 2.409 30 10 JEEE COCCN(CCC#N)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@]1(O)CCO[C@H]1C 1698058298 DNZRRIQVKRINEI-SBUREZEXSA-N 451.531 2.242 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1705562667 HQVRWBDORBBWER-AZUAARDMSA-N 488.610 2.404 30 10 JEEE C#CCN(c1nnc(C2CCC2)n1Cc1cccc(C(=O)NCCC)c1)[C@H]1CCS(=O)(=O)C1 1705566581 OJOSPHODFSSRIN-NRFANRHFSA-N 469.611 2.360 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccccc1CN1CCC(O)CC1 1705589298 ONPGJILUSCPNEM-UHFFFAOYSA-N 497.603 2.393 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)COCc1ccccc1 1705598540 LILMISIEEXKCFE-RBBKRZOGSA-N 454.596 2.496 30 10 JEEE C#CCN(CCOC)c1nnc(COc2ccc(Br)cc2)n1C[C@]1(O)CCO[C@H]1C 1705630230 LFEJOXQHLZMXDV-HRAATJIYSA-N 479.375 2.246 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCCN2CCCCCC2=O)CC1 1705648840 AJQOFXBBCHAQIC-UHFFFAOYSA-N 465.602 2.042 30 10 JEEE C#CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CCNC(=O)[C@H]1CC 1705655906 QWMXKKXOXQRNOA-CQSZACIVSA-N 451.394 2.127 30 10 JEEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CCOc2ccccc2Cl)CC1 1705721400 YJIPHNXKEQLVBQ-QGZVFWFLSA-N 483.038 2.319 30 10 JEEE C=CCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1705831724 AMVXXIJHVUSLPW-QHCPKHFHSA-N 471.583 2.336 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1705903773 UAGWTMOJSSOHMR-UHFFFAOYSA-N 493.656 2.381 30 10 JEEE C[C@@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(CCC#N)CC1CC1)N1CCOCC1 1706781300 DFUVOQOXCQXXNK-SFHVURJKSA-N 472.615 2.199 30 10 JEEE CC[C@@H](C)N(C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(c2ccccc2C#N)CC1 1708607848 BCOLCQYGFFHDFP-IRLDBZIGSA-N 499.685 2.499 30 10 JEEE CN1CCCC(C)(C)[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1711277224 FXEZFYYNKKCVEQ-PZJWPPBQSA-N 486.642 2.472 30 10 JEEE C#CCN(c1nnc([C@H](C)OCCOC)n1Cc1nc(C(C)(C)C)cs1)[C@H]1CCS(=O)(=O)C1 1722363679 HDMZKALDBGLQSI-IRXDYDNUSA-N 495.671 2.431 30 10 JEEE C#CCN(c1nnc(C)n1CCC[C@H]1CCCN1C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1722367002 UIVCALAZCCDPOU-OALUTQOASA-N 465.620 2.393 30 10 JEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1CCN1CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1722371076 GVXVFTDPDPOSRM-IRLDBZIGSA-N 485.654 2.183 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCS(=O)(=O)C(C)(C)C 1722392872 VFGJZYULIBTKBK-UHFFFAOYSA-N 456.568 2.393 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1[C@H]1C[C@H](c2ccccc2F)C1 1722397092 MXUXZMPYGBKRLE-IPJJNNNSSA-N 485.585 2.332 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCSc2ccc(C)cc2)CC1 1722449683 NUSCQYHVGMNUSR-UHFFFAOYSA-N 480.638 2.467 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2Cc2cccc(C(=O)NCCC)c2)CC1 1722451168 ZCXBBIXTHQITKH-JOCHJYFZSA-N 478.597 2.284 30 10 JEEE C#CCSCCn1c(N2CCC[C@@H](NC(=O)C(C)C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1722463418 BPIZAVHBRHKAPN-AUSIDOKSSA-N 463.648 2.426 30 10 JEEE C#CCSCCn1c(COc2ccccc2F)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1722464117 VSEZFVZVGFMFJM-FQEVSTJZSA-N 486.617 2.105 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cccc(S(=O)(=O)NC)c1 1722468562 NMHITGAAGPTIGR-RPWUZVMVSA-N 487.626 2.267 30 10 JEEE C=C(Br)Cn1c(Cc2ccccn2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1722488160 BJDGUDQJVDFVKQ-QGZVFWFLSA-N 461.364 2.000 30 10 JEEE C=CCCOCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H]1CCOC1 1722629839 OPYJMTJYTRVQNO-ZWKOTPCHSA-N 451.568 2.404 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1722726113 WANKIWJRHAGJBV-SFHVURJKSA-N 452.625 2.120 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCCN(C(=O)CCc2ccccc2)CC1 1722727985 MJOKETFVKYZKBD-UHFFFAOYSA-N 459.616 2.113 30 10 JEEE C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(F)(F)c1ccccc1 1723777990 CLSOSNWFMAUCJV-NVXWUHKLSA-N 468.530 2.141 30 10 JEEE CC1CCN([C@@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CCS(C)(=O)=O)CC1 1726591486 FMZXXBAQPVLVQQ-IBGZPJMESA-N 474.631 2.330 30 10 JEEE COCC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1730624500 DXBAURBHIOKWAC-BWKNWUBXSA-N 481.601 2.186 30 10 JEEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1740565451 AHTICYAZQRDBOP-HXUWFJFHSA-N 484.626 2.200 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1CCC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1740619041 FNMLQFKODSSBIG-HXUWFJFHSA-N 488.610 2.406 30 10 JEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCO[C@H]1C(C)C 1740637264 WDMZOOVBPRKWJB-QUCCMNQESA-N 454.600 2.372 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2OC)n1CC1(CS(C)(=O)=O)CC1 1740650548 DWVVELBCKJTTDI-UHFFFAOYSA-N 456.568 2.250 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)cc1SC 1740671833 PSWLGYLXPQHYFQ-SFHVURJKSA-N 463.629 2.149 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCOc2ccccc2Cl)CC1 1740690654 YQAACRZJTMEJMF-UHFFFAOYSA-N 465.945 2.413 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCc2ccc(F)c(F)c2)CC1 1740700796 IPIRWQHFKWSYJM-UHFFFAOYSA-N 493.518 2.412 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CCCOC[C@@H]2CCOC2)CC1 1740702102 VYXYJFRLVKWRJE-IBGZPJMESA-N 455.559 2.256 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CC(=O)N(C)C2CCCCC2)CC1 1740704274 KZLRUMNYNPNOLZ-UHFFFAOYSA-N 451.575 2.030 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(O)CCN(C(C)C)CC1 1740937241 CQIIMCXGFCVQTR-FQEVSTJZSA-N 491.658 2.244 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1740955813 ADSDTYWPHPDAFT-UHFFFAOYSA-N 476.629 2.482 30 10 JEEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1740960864 DOSAFAJEAPCIRH-QGZVFWFLSA-N 482.539 2.345 30 10 JEEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)C[C@H]1c1cccc(OC)c1 1740963614 QTBVUQNOJKBIGG-PXNSSMCTSA-N 452.559 2.299 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCCN(Cc2noc(C)n2)CC1 1740963674 TWZOUSWEPMVJDQ-UHFFFAOYSA-N 494.600 2.180 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1C[C@H](CC)O[C@H](C)C1 1740992982 QVVURBZKFUVWRD-MJGOQNOKSA-N 458.588 2.121 30 10 JEEE CCCNC(=O)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCO[C@@H](C#N)C1 1745792922 CAWMODIGQUPBHR-ZDUSSCGKSA-N 451.300 2.102 30 10 JEEE Cn1ccc(CCn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCC[C@](C)(C#N)C2)n1 1748022939 ADLWHHGYPGCNES-JOCHJYFZSA-N 453.572 2.455 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(-n2ccnc2C)c(F)c1 1748670531 AAAUZPXRMYDJGT-CRAIPNDOSA-N 456.547 2.320 30 10 JEEE C#CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N(C)CCNS(C)(=O)=O 1748738790 OYBWVPRLKIDBTI-UHFFFAOYSA-N 470.393 2.115 30 10 JEEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1cccc(C(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 1748821448 QNKZFVKCFTYYPA-GOSISDBHSA-N 495.527 2.094 30 10 JEEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 1748934668 DGFJMIWEPLYVIC-FQEVSTJZSA-N 450.543 2.026 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCO[C@H]2C(=C)C)CC1 1748994344 DSFQTPXUAIQBNL-RXVVDRJESA-N 454.600 2.006 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC[C@H]2CCOC2)CC1 1749001216 MJQDRXRULGONPC-IBGZPJMESA-N 499.015 2.254 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2ccn(Cc3ccccc3)n2)CC1 1749018604 APQWYLSPJOCIBI-UHFFFAOYSA-N 461.570 2.074 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2CCCc2cnn(C)c2)CC1 1749018868 HDQPAQSQUPFPSZ-UHFFFAOYSA-N 475.597 2.498 30 10 JEEE COc1ccccc1SCc1nnc(N2CCC(C#N)CC2)n1CC1(O)CCS(=O)(=O)CC1 1749107444 HNIQAPQEJSQWCK-UHFFFAOYSA-N 491.639 2.259 30 10 JEEE C=C(C)COCCn1c(N2CCc3nc(O)c(C#N)cc3C2)nnc1[C@@]1(OCC)CCOC1 1749240440 ZTAZDRHANANETN-HSZRJFAPSA-N 454.531 2.058 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(Cc2cc(F)ccc2OC)CC1 1749676074 CRJGEKJSYLOMBG-UHFFFAOYSA-N 479.560 2.036 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1749729436 JLQRJKNLUKLNGJ-VGSWGCGISA-N 464.563 2.459 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H]1CCCN1S(C)(=O)=O 1760112488 IEOKHCMXKZWHHO-PKOBYXMFSA-N 494.662 2.275 30 10 JEEE C#CCCCn1c(COc2ccc(F)cc2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1760158102 DMHUAMZOHIUUFD-CVDCTZTESA-N 468.577 2.398 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1ccccc1OCC=C)[C@@H]1CCS(=O)(=O)C1 1760186654 FDWNVBKGHSXLCP-LEWJYISDSA-N 470.595 2.412 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCCN2C[C@@H](C)C[C@@H](C)C2)CC1 1760251721 GWIFWBHZOAAQFZ-SZPZYZBQSA-N 478.645 2.439 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccncc2Cl)CC1 1760266399 XNJUVSFQKIPVFL-DEOSSOPVSA-N 487.004 2.381 30 10 JEEE C=CCCOCCn1c(-c2ccccn2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1760448491 FBBZWBUBKMDUJR-UHFFFAOYSA-N 489.627 2.209 30 10 JEEE C=CCN(CC=C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCS(=O)(=O)C(C)(C)C 1760492015 CEGSHXMIRHMJTJ-UHFFFAOYSA-N 456.576 2.313 30 10 JEEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@@](C)(OC)CC1 1760524106 PLSSOEOZVDIJTQ-XMMPIXPASA-N 468.606 2.150 30 10 JEEE CC[C@H](C)NC(=O)CCn1c(-c2ccccn2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1762041353 CNMQYAOSHHUANQ-ROUUACIJSA-N 474.573 2.022 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C 1762301948 HNIOBORUEUUFHG-DOTOQJQBSA-N 463.583 2.181 30 10 JEEE CCN1CCN(C[C@@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](C(=O)OC)C2)CC1 1767144383 GRGJFZXDRYAREK-OFNKIYASSA-N 479.629 2.480 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)[C@H](C)Oc3cccnc3NC(=O)N3CCNCC3)cc21 1858828770 BTPYLFCLSWPDOJ-INIZCTEOSA-N 465.510 2.080 30 10 JEEE CCCCCCCCn1cc(OCC(=O)NC(C)C)c(=O)cc1CN1CCN(CCO)CC1 1870512053 PFJUWDOTFQABQR-UHFFFAOYSA-N 464.651 2.222 30 10 JEEE C=CCN([C@@H](CCSC)C(=O)Nc1ccc(N2CCN(C)CC2)cc1)S(=O)(=O)CC 1872275540 PAPGJHFNOINAAW-FQEVSTJZSA-N 454.662 2.336 30 10 JEEE CC(C)(C)OC(=O)NCC(CNC(=O)OC(C)(C)C)N=C1NS(=O)(=O)c2ccccc21 1999032069 LIXAGODOVHAWMO-UHFFFAOYSA-N 454.549 2.143 30 10 JEEE C=C(CS(=O)(=O)N[C@H]1COCCN(C(=O)OCc2ccccc2)C1)B1OC(C)(C)C(C)(C)O1 2247901551 LZILOFJSGUHHMS-LJQANCHMSA-N 480.392 2.131 30 10 JEEE CC(C)(C)OC(=O)N1CCS(=O)(=NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)CC1 2255636317 SFSJRIGCKDQCOO-UHFFFAOYSA-N 471.410 2.301 30 10 JEEE C[C@H](CNC(=O)OC(C)(C)C)NS(=O)(=O)Cc1ccccc1B1OC(C)(C)C(C)(C)O1 2255793687 ALRKIRNDDBMFFL-OAHLLOKOSA-N 454.398 2.318 30 10 JEEE CCn1cc(C(=O)N2CC(N(C)C(=O)OCc3ccccc3)C2)nc1B1OC(C)(C)C(C)(C)O1 2255815075 ICYGLNLDZYXSNR-UHFFFAOYSA-N 468.363 2.295 30 10 JEEE Cn1nc(C(=O)NC/C=C\CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2256403006 XTSYLPSWNVSBKV-KTKRTIGZSA-N 454.764 2.183 30 10 JEEE CC[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2256668717 FFGDCHAYQZANSU-OLZOCXBDSA-N 452.386 2.233 30 10 JEEE CC(C)(C)OC(=O)NCCc1csc(NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)n1 2267092580 XFUKMABPOGSUHF-UHFFFAOYSA-N 463.369 2.485 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(F)c(C(=O)N[C@@H](CO)CNC(=O)OC(C)(C)C)c1 2267161726 GDXVDEHBOZKATC-CQSZACIVSA-N 452.332 2.049 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@](C)(CNC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)C1 2267168477 CYYPZVZYJMVHFQ-NRFANRHFSA-N 467.397 2.198 30 10 JEEE C=C(CS(=O)(=O)N[C@@H](C)C1(O)CCN(C(=O)OC(C)(C)C)CC1)B1OC(C)(C)C(C)(C)O1 2267462716 DTESJLCXGSOJSP-INIZCTEOSA-N 474.429 2.244 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]1CNS(=O)(=O)c1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2267471390 SHPPNYGJLWIIID-CJNGLKHVSA-N 470.372 2.316 30 10 JEEE Cc1cc(S(=O)(=O)NN2CCN(C(=O)OC(C)(C)C)CC2)sc1B1OC(C)(C)C(C)(C)O1 2267708337 IKCBTWBSAZLARB-UHFFFAOYSA-N 487.453 2.102 30 10 JEEE C[C@H]1CC[C@H](NC(=O)C(F)(F)F)CN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2267717334 BIXILNLJUCZDPU-AAEUAGOBSA-N 482.355 2.267 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1NC(=O)[C@@H](O)[C@H](C)NC(=O)OC(C)(C)C 2268632553 LPUFEYKODABCOJ-GUYCJALGSA-N 450.341 2.207 30 10 JEEE CN(Cc1ccc(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)o1)C(=O)OC(C)(C)C 2268654599 BOPNMXSQNXAPDY-UHFFFAOYSA-N 464.353 2.471 30 10 JEEE CC(C)(C)OC(=O)N[C@H](C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1)[C@@H]1CCCO1 2268700911 MORSWHZZZYJXPH-BBRMVZONSA-N 467.397 2.131 30 10 JEEE CO[C@@H]1[C@H](OC)CN(C(=O)OC(C)(C)C)[C@@H]1CNCc1occc1B1OC(C)(C)C(C)(C)O1 2279461227 OHHLKJAOPSIDOJ-QRQLOZEOSA-N 466.384 2.318 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1COCCN1C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2281781236 GYXFAKKRNDMGJK-INIZCTEOSA-N 464.343 2.491 30 10 JEEE Cc1c(C(=O)N(C)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281798577 KAJGTRLJFRORQF-INIZCTEOSA-N 462.400 2.499 30 10 JEEE Cc1c(C(=O)N[C@H]2CSCCN(C(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281803855 CRMLDNKNRALBMJ-OAHLLOKOSA-N 480.440 2.110 30 10 JEEE Cn1ncc(C(=O)N(CCNC(=O)OC(C)(C)C)CC(F)(F)F)c1B1OC(C)(C)C(C)(C)O1 2281822604 AUEBLOFONWPIOZ-UHFFFAOYSA-N 476.305 2.249 30 10 JEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CCNC(=O)C2CC(B3OC(C)(C)C(C)(C)O3)C2)C1 2281925606 YYUYBQDLERGYNB-OFLPRAFFSA-N 486.440 2.399 30 10 JEEE 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)F 2281926368 MSMPKFVDAWULPR-OLZOCXBDSA-N 474.289 2.237 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CC12CCC2 2281927255 XQBRYGZHSYFFDC-HNNXBMFYSA-N 460.384 2.476 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@]2(C1)C(=O)NCCN2C(=O)[C@@H]1C[C@@H]1B1OC(C)(C)C(C)(C)O1 2281931841 WVUXSOUCDHDPEY-SYJLOODJSA-N 463.384 2.197 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1CN(C)CCN1Cc1ccccc1 2281970794 FKFSZDXEBNJBPQ-LJQANCHMSA-N 470.448 2.297 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@]2(C[C@H](NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)sn3)CO2)C1 2281995670 GAGWWDSJUNQYEH-FPTDNZKUSA-N 479.408 2.341 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@]2(C[C@H](NC(=O)c3csnc3B3OC(C)(C)C(C)(C)O3)CO2)C1 2282001351 ACGQBKCDRHPBLV-RCDICMHDSA-N 479.408 2.341 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 2282005417 PMMPEBDAHFKNGU-GOEBONIOSA-N 462.400 2.403 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)[C@@H]2COC[C@H]12 2282190965 UBDSKYFJUVHXSB-GUDVDZBRSA-N 458.364 2.350 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2C(CNS(=O)(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)cc3)[C@@H]2C1 2282346314 MUFDEQUKZHSIGP-OALUTQOASA-N 478.420 2.377 30 10 JEEE CC(C)(C)OC(=O)N1CC(N2CCN(C(=O)c3ccsc3B3OC(C)(C)C(C)(C)O3)CC2)C1 2282487052 XNCAZGWCCGWGQB-UHFFFAOYSA-N 477.436 2.424 30 10 JEEE Cn1ncc(C(=O)NC[C@@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2282573432 ZZEUUCGTGVFAGR-ZDUSSCGKSA-N 470.326 2.094 30 10 JEEE Cc1cc(C(=O)N(CCNC(=O)OC(C)(C)C)CCN(C)C)oc1B1OC(C)(C)C(C)(C)O1 2282576516 RODDWMSCAYVBAF-UHFFFAOYSA-N 465.400 2.416 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@@H](CCNC(=O)OC(C)(C)C)C1 2282586865 FDDWNCLTMSBHFG-MRXNPFEDSA-N 462.400 2.405 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(O)cc1O)C1CC1 2282992417 SFKCOVLSVDKCSS-MRXNPFEDSA-N 462.352 2.430 30 10 JEEE CO[C@H]1C[C@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)c(C)n2)N(C(=O)OC(C)(C)C)C1 2283964948 QKBWLMDVGKNGTH-GOEBONIOSA-N 462.356 2.047 30 10 JEEE CC1(C)OB(c2cc(O)c(C(=O)NCCNC(=O)OCc3ccccc3)cc2F)OC1(C)C 2301393052 LKWIEXLCZNVQSZ-UHFFFAOYSA-N 458.295 2.487 30 10 JEEE Cc1c(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)OCc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2334263164 OWTBAVZZCKQFRB-CMKODMSKSA-N 480.374 2.167 30 10 JEEE CC(C)(C)OC(=O)N[C@@]1(C)CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CC1(F)F 2336775165 AQDCJUCMDKRMJI-IBGZPJMESA-N 456.299 2.083 30 10 JEEE CC1(C)OB(c2sncc2C(=O)N2C[C@H]3[C@@H](C2)OCCN3Cc2ccccc2)OC1(C)C 2337342051 ALBSHHVMPXOFJC-RBUKOAKNSA-N 455.389 2.168 30 10 JEEE Cc1oc(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]21 2359268289 FEGMOBVCVWJLSW-IXDOHACOSA-N 462.352 2.251 30 10 JEEE C[C@H]1CCCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)[C@H]1CNC(=O)OC(C)(C)C 2362352194 BMCAVHSTKNFHSW-HOTGVXAUSA-N 462.400 2.485 30 10 JEEE N#C[C@@H]1C(=O)Nc2nc(N3CCC4(CC3)OCCO4)[nH]c(=O)c2[C@@H]1c1c(F)cccc1Cl 72444283 PNHDBECWMOCEBC-FZMZJTMJSA-N 459.865 2.129 30 10 JEEE Cc1ccc(OC[C@H](O)Cn2c(N/N=C/c3ccccc3Cl)nc3c2c(=O)[nH]c(=O)n3C)cc1 107397486 DPFMIWVKROZZDG-FVWOBLMASA-N 482.928 2.271 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(N(C)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CC1 204865166 RJXTUXVRQONVPE-INIZCTEOSA-N 489.426 2.116 30 10 JEEE 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[N+](C)(C)C 245328583 VNLJJMSFFPPDPE-BVPBTGHSSA-N 462.607 2.039 30 10 JEEE O=C(O)CCC(=O)N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(OC(F)(F)F)cc1 254312874 XYHORIRXSYNFIY-VXGBXAGGSA-N 452.432 2.051 30 10 JEEE C#CCN(C(=O)c1cccc(NS(=O)(=O)c2cc(C)ccc2C)c1)[C@@H]1CCS(=O)(=O)C1 729332050 UEBBNNFXSRUUHN-HXUWFJFHSA-N 460.577 2.367 30 10 JEEE C=C(C)CNC(=S)/C(=C(/O)c1ccc(CCNS(C)(=O)=O)cc1)[n+]1cc(O)ccc1C 920483908 CSCRJLWEDYMKBN-UHFFFAOYSA-O 462.617 2.457 30 10 JEEE NC(=O)CSc1nnc(NC(=O)CSc2n[nH]c(NN=C/C=C/c3ccccc3)n2)s1 1084298979 ZZDRNVCZSGDTCH-DEBRJUMYSA-N 475.585 2.076 30 10 JEEE C=CCN1C(=O)C(=O)N(CC(=O)Oc2ccc(-n3c(C)nnc3-c3ccccc3C)cc2)C1=O 1127029217 YWVAFLYJXNPWBY-UHFFFAOYSA-N 459.462 2.433 30 10 JEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC([C@H](O)C(F)(F)F)CC3)CC2)cc1 1151994506 HERYYRJYWKKAGH-SFHVURJKSA-N 459.490 2.121 30 10 JEEE C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 1214485706 WWLYHKPOKREVJY-NQIIRXRSSA-N 464.588 2.163 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1CCCCCOC)[C@@H]1CCS(=O)(=O)C1 1286388910 WTXMNGIOUMZQJH-GOSISDBHSA-N 460.556 2.117 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1286397741 PMYDJDHJZVILKW-WOJBJXKFSA-N 483.016 2.434 30 10 JEEE C#CCN(c1nnc(COc2ccccc2OC)n1C[C@]1(O)CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1286397945 VNSTVINHKPEFJZ-XLNZFTOWSA-N 488.610 2.044 30 10 JEEE C#CCN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H](C)CN1CCN(CC)CC1 1286444224 SWZGIGPLTIDDES-IBGZPJMESA-N 462.602 2.327 30 10 JEEE C#CCN(CC)c1nnc(Cc2c[nH]c3ccccc23)n1CCS(=O)(=O)N1CCSCC1 1286449443 XVYCNIOSAWSJBU-UHFFFAOYSA-N 472.640 2.188 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccccc3Br)n2CC[C@H]2COCCO2)CC1 1286475912 KYKKVFBOJZWQDR-KRWDZBQOSA-N 460.376 2.268 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 1286478399 AFIPRLZXIUFCRM-VQTJNVASSA-N 458.607 2.327 30 10 JEEE C#CCN1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1286484101 HRCSPHPMSCRAHT-IBGZPJMESA-N 459.641 2.069 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1286559738 YHFCGOKNEKYDOZ-OFNKIYASSA-N 498.603 2.162 30 10 JEEE C=C(Cl)Cn1c(N2CCN(C[C@H]3CN(C(C)C)CCO3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1286635159 KWOXPTMBYVAGDL-XUZZJYLKSA-N 497.084 2.302 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCC[C@@H]2CCCCO2)CC1 1286663328 LEAXVGVNKRMHAF-VQTJNVASSA-N 467.636 2.363 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CCO[C@H](Cn2cccn2)C1 1286793049 PUPAQYQPIFTGPM-IBGZPJMESA-N 467.599 2.283 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CC[C@](C)(C(N)=O)C1 1286814703 DWBBQUHITDAPJU-QRQCRPRQSA-N 477.656 2.434 30 10 JEEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 1286822536 FMTUIBTZJYEODY-HNNXBMFYSA-N 476.525 2.472 30 10 JEEE C[C@@]1(C(N)=O)CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCCCC2)C1 1288995137 HYXCDZAVBTZFMF-XMMPIXPASA-N 451.575 2.306 30 10 JEEE CCN1CCC[C@@H]1CN1C[C@H](C(=O)N2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)CC1=O 1297321318 FIWSRKBLKSKQLJ-CEMLEFRQSA-N 458.006 2.382 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ccc(CN(CC)CC)cc1)[C@@H]1CCS(=O)(=O)C1 1300491276 GCGGAZNIKBFPSJ-JOCHJYFZSA-N 493.637 2.252 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(OC)c(OC(F)F)c1 1300539130 YSANNRVMRITHFO-KRWDZBQOSA-N 478.521 2.106 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(SC)cc1 1300577810 CDLQLHQCYVKZES-NRFANRHFSA-N 487.651 2.039 30 10 JEEE C#CCN(CC#CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCC(=O)N1CCOCC1 1300578846 PWJHUZZRALMQIU-UHFFFAOYSA-N 498.628 2.104 30 10 JEEE C=C(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1300964062 MLZWAVOKHPLPGR-UHFFFAOYSA-N 451.575 2.295 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCN(CCOCC)CC1 1301490150 LIMISERGAUZXLE-UHFFFAOYSA-N 491.434 2.477 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(F)(F)c2ccccc2)C1 1301538949 MIGDVWNZQYHSQB-RDJZCZTQSA-N 455.531 2.462 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)c2ccccc2)C1 1301556712 JAJQGEZLJYIIGO-NRSPTQNISA-N 475.615 2.196 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(c2ccc(C)cc2)C(=O)C1 1301578709 GIBPRLAUOQKPNN-UHFFFAOYSA-N 466.567 2.103 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1301588925 LYCJVJHGYYZBKK-IRXDYDNUSA-N 467.617 2.463 30 10 JEEE Cc1ccc(C)c(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCN2CCN(C)C(C)(C)C2)c1 1304290622 DYKYFESYWSGILH-OAQYLSRUSA-N 467.618 2.229 30 10 JEEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCOCC2(C)C)C[C@@H]1C 1316125276 IBMJCMUCZXTLCO-FQEVSTJZSA-N 467.618 2.084 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCNC(=O)OC(C)(C)C 1358885081 CNGHHGHRQOVSCE-OAHLLOKOSA-N 461.592 2.221 30 10 JEEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCC(C(=O)NCC#C)CC1 1358921938 OAFJIMDPZVFHEL-UHFFFAOYSA-N 457.376 2.425 30 10 JEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCc1cccc(OCCC)c1)[C@H]1CCS(=O)(=O)C1 1358955100 DPXRBYUXRGJHSM-NRFANRHFSA-N 499.637 2.172 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@H](C)COC)[C@H]1CCS(=O)(=O)C1 1358963167 CXJUOFODNMBIBS-HOTGVXAUSA-N 452.527 2.056 30 10 JEEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCCCS1)[C@H]1CCS(=O)(=O)C1 1358966362 NIIXKZGHXXJUGI-DLBZAZTESA-N 493.680 2.182 30 10 JEEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1C[C@@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1358967107 DNMNKGQKRKWRDE-UTKZUKDTSA-N 466.991 2.298 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H](C)N1CCOCC1 1359026587 DJAPAVPHKDVNFP-PMACEKPBSA-N 476.622 2.157 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1Cc1ccc(OCCN(C)C)cc1 1359073113 CRTPCCDZEROKJR-RUZDIDTESA-N 450.587 2.381 30 10 JEEE C=C(C)Cn1c(N2CCN(CC(=O)Nc3ccccc3)CC2)nnc1[C@]1(OCC)CCOC1 1359125063 OHOIDPHRELQWEU-DEOSSOPVSA-N 454.575 2.267 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCOC2CCCC2)CC1 1359165695 UVDHIJUULIVWDD-LJQANCHMSA-N 453.609 2.117 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CC[C@@H](C)[C@H](OC)C1 1359299091 UXFSIVIABLTAQD-YLJYHZDGSA-N 479.585 2.228 30 10 JEEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 1359337562 VWNGXIURWHHIRM-HOTGVXAUSA-N 488.680 2.301 30 10 JEEE CC(=O)Nc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(CC#N)CC2)cc1 1359404060 BQUANVOWLKTZGY-HNNXBMFYSA-N 459.576 2.025 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1CC1(O)CCCCCC1 1360652501 FZFJPVVWCWMTBY-QGZVFWFLSA-N 460.604 2.482 30 10 JEEE N#Cc1ccc(CN2CC[C@H](NC(=O)c3cn(-c4ccc(C(F)(F)F)cn4)nn3)C2=O)cc1 1448832646 ARVDLDCGJYSYSA-INIZCTEOSA-N 455.400 2.084 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCc3c(F)ccc(C(=O)OC)c3C2)ccc1F 1470150205 PDFXYUDXBHBRDY-UHFFFAOYSA-N 450.463 2.414 30 10 JEEE CNC(=O)C(C)(C)Cn1c(COc2ccc(Br)cc2)nnc1N1CCO[C@H](C#N)C1 1503702770 ICEYIMWDEBDNRU-MRXNPFEDSA-N 477.363 2.121 30 10 JEEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(CC(=O)NC)CC1 1507559070 XGSZHUGQEMHUSN-UHFFFAOYSA-N 486.642 2.351 30 10 JEEE C#CCCCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(CC(=O)NC2CC2)CC1 1507569369 ZFKIJEZUOZXRBZ-UHFFFAOYSA-N 456.541 2.351 30 10 JEEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(c2ncccn2)CC1 1507587911 BOZLEBWJDFEXQP-IBGZPJMESA-N 482.589 2.117 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1C[C@H]1CC(=O)N(c2ccccc2)C1)[C@@H]1CCS(=O)(=O)C1 1507621949 DBWFSOWZIWWCSC-AZUAARDMSA-N 469.611 2.255 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1ccccc1OCC)[C@H]1CCS(=O)(=O)C1 1507630997 KPGMPGIQPFZCEB-FQEVSTJZSA-N 451.552 2.414 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)ccc3C)n2CC2(O)CCC2)CC1 1507740261 KMVXQGBRSFLJLN-UHFFFAOYSA-N 451.571 2.355 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCS(=O)(=O)CC=C 1507773804 XDINPGWMLMUEIS-FDDCHVKYSA-N 493.630 2.179 30 10 JEEE C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1C1CCC1 1507783369 CLXAYDAWIDCLTM-JKSUJKDBSA-N 474.425 2.289 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)CC)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1507804111 IPRIWMAYLXVKSV-CUWPLCDZSA-N 491.662 2.326 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCCN(CCC)C(=O)C2)nnc1[C@]1(OCC)CCOC1 1507808137 GMQHRGWGXZNCEW-IZIIKQMZSA-N 461.607 2.360 30 10 JEEE C=C(C)Cn1c(N2CCC(NC(=O)COC)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1507835339 WMTAHJARFWWUIE-MAEOIBBWSA-N 462.595 2.356 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1507914973 QTCUNVCPLBODEK-QZTJIDSGSA-N 476.651 2.386 30 10 JEEE C=CCC(C)(C)Cn1c(Cc2cccnc2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1507922480 BPGSKIUPFYWZII-OAQYLSRUSA-N 488.658 2.497 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@@](C)(C(=O)NC)C1 1508071937 BSCVCGDSHQVROP-MHECFPHRSA-N 454.575 2.300 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1508074645 NKFOQLNBUFQPNW-GOSISDBHSA-N 493.543 2.217 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1508078863 KXYUXTDFMXDIAJ-WBVHZDCISA-N 484.557 2.325 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCN(c2ncccc2F)CC1 1508134503 FKDTYWWCWWYDCP-UHFFFAOYSA-N 486.573 2.415 30 10 JEEE CCc1nc(CCn2c(COc3ccc(C#N)cc3)nnc2N(C)C[C@@H]2CCN(C(C)=O)C2)no1 1513738816 DTUQVPVHMCIHST-IBGZPJMESA-N 478.557 2.221 30 10 JEEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(CN(C[C@H]3CCCCO3)C(C)C)cc2)C1=O 1520545849 YLXXOJQTRGWUKR-HXUWFJFHSA-N 456.543 2.381 30 10 JEEE C=CCN1C(=O)C(=O)N(CC(=O)N(Cc2ccncc2)c2ccc(Br)cc2)C1=O 1534179854 VPLQIUKSIGCRGA-UHFFFAOYSA-N 457.284 2.354 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCn1cc(Br)cn1 1538976333 KORJTLXSIPRYAR-KXBFYZLASA-N 451.369 2.436 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(=O)N1CCCCC1 1539017008 XDYGIMZQVWUTCP-MOPGFXCFSA-N 474.606 2.447 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2C[C@H](C)O[C@H](C)C2)c1 1539042162 CMQIXSDJMPMRRT-SHJAMOMRSA-N 464.570 2.489 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccc(Cl)cc1OC)[C@H]1CCS(=O)(=O)C1 1539222173 UDTNJBAOAWBMGI-WMZOPIPTSA-N 464.975 2.119 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 1539318481 RUCJYUHRCLVIQI-RBUKOAKNSA-N 466.586 2.482 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1CC1CCN(C(C)=O)CC1 1539417077 XUGBNJXRYMCDCG-JOCHJYFZSA-N 453.543 2.135 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CCCO)CC1 1539632350 QWZAHDSHNSOCKV-ZCNNSNEGSA-N 452.621 2.150 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1cccc(F)c1)N(C)C 1539669849 VKUGGNATDCDJGU-LEWJYISDSA-N 494.637 2.455 30 10 JEEE C=C(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1539683457 QILUGSXCPPXEKR-UHFFFAOYSA-N 486.020 2.182 30 10 JEEE C=C(C)COCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCO[C@H](C(F)(F)F)C1 1539734950 COHBFFMGJXLPJG-KRWDZBQOSA-N 464.452 2.281 30 10 JEEE C=C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(=O)(=O)Cc2ccon2)CC1 1539835212 ARIGFGXOAQMSQI-UHFFFAOYSA-N 453.528 2.081 30 10 JEEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2nccs2)C1 1539966007 DBXZOQLCLSCXKV-IAGOWNOFSA-N 482.632 2.002 30 10 JEEE C=CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)Cc1cccc(C(N)=O)c1 1540854348 ZILUVPLJPOPAFZ-UHFFFAOYSA-N 453.572 2.468 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCOC[C@H](C2CCC2)C1 1540861824 IAQGBNHVIMBWSI-LJQANCHMSA-N 487.004 2.417 30 10 JEEE CN(C)C(=O)[C@H]1CCCN1CCCn1c([C@H]2CCOC2)nnc1N(C)Cc1cccc(C#N)c1 1552661404 BOEVEKRGUYKKMS-FCHUYYIVSA-N 465.602 2.233 30 10 JEEE COc1ccc(Br)c(-c2nnc(N3CC[C@@](F)(C#N)C3)n2Cc2nncn2C)c1 1554806195 CUPHWBIPEDPZBK-GOSISDBHSA-N 461.299 2.335 30 10 JEEE C#C[C@H](CO)NC(=O)[C@H]1CCC(=O)N(c2ccc(OC)cc2)[C@@H]1c1ccc(OC)c(OC)c1 1569718031 RLEYVUOKAULPLW-VWQFJMCTSA-N 452.507 2.307 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCCOc1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1588049532 IAQCYFBMHASGCL-GOSISDBHSA-N 469.567 2.378 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@H]1CCOC[C@H]1OC 1588628699 NHWCQPWYXVEOIX-DENIHFKCSA-N 494.596 2.373 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)N2C[C@@H](C)C[C@H](C)C2)CC1 1588724346 XBXXRQGZGUEVHG-SFTDATJTSA-N 455.651 2.026 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cccnc2OCCOC)CC1 1588791554 ZDTAYWNAQMMFEY-UHFFFAOYSA-N 457.538 2.040 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1589504768 JGOGCKLPPURRQE-LVBDUCALSA-N 486.569 2.304 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCCS1(=O)=O 1589663288 KITWZPHWAOJFOI-SFHVURJKSA-N 498.650 2.024 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCCN2CCC[C@H](C)C2)CC1 1594097769 YEHDLUYMAGXHCM-SFTDATJTSA-N 480.679 2.280 30 10 JEEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1594521012 JOHNCNSECFPGNX-UHFFFAOYSA-N 471.650 2.137 30 10 JEEE C=CCCOCCn1c(-c2ccccc2F)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1594802851 JJTKIGPMFXKBTF-UHFFFAOYSA-N 456.566 2.421 30 10 JEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)c(F)c1)C1CC1 1595058163 CMKOKTYISVCBEN-GOSISDBHSA-N 453.515 2.092 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1cc(C)cc(C)c1)C1CC1 1595058307 HRCGRVZBVRJQFD-NRFANRHFSA-N 475.615 2.462 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 1595603222 ZUHCBEYUHDQIMT-CQOQZXRMSA-N 496.656 2.355 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1595785352 XQBOVJNYSUVZTP-SFHVURJKSA-N 476.599 2.329 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CCC2(CCN(C)C2=O)CC1 1595823672 PZZFKBCHHSXHJD-UHFFFAOYSA-N 491.589 2.046 30 10 JEEE C#CCCN1CCC(NC(=O)c2cc(S(=O)(=O)NC3CC3)ccc2Br)CC1 1629895937 KBHWOTSKVFWBKV-UHFFFAOYSA-N 454.390 2.107 30 10 JEEE C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@@H](O)c2cc(Cl)c3c(c2)OCCO3)c1 1668257472 PFAOOKZCQZLWCN-QGZVFWFLSA-N 452.916 2.039 30 10 JEEE N#Cc1ccc(N2CCC(NC(=O)Nc3ccc(C(=O)N4CCOCC4)c(F)c3)CC2)nc1 1669187296 GOZXLYNGAORUFJ-UHFFFAOYSA-N 452.490 2.355 30 10 JEEE C=CCS(=O)(=O)CCNC(=O)N[C@H]1CCCN(c2ccc(Br)c(C)c2)C1=O 1670883514 ZSLNEDLXIZGJJF-INIZCTEOSA-N 458.378 2.153 30 10 JEEE C=CCC1(O)CCN(C(=O)NCCCCCC(=O)N2CCN(C(=O)CC(C)C)CC2)CC1 1683835738 ZCZPBABJXRRGIT-UHFFFAOYSA-N 450.624 2.376 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H](c1ccccc1)N1CCOCC1 1689832009 VMYJBCXAIPWIIX-XTJBDQBJSA-N 453.587 2.462 30 10 JEEE C#CCCCCn1c(N2CCN(C(=O)N3CCCC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1689906428 NBTSKDNZVSYEFP-DEOSSOPVSA-N 458.607 2.460 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H](C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 1689982459 NOPBVUYSXRVRLL-RXVVDRJESA-N 486.598 2.212 30 10 JEEE C#CCN(c1nnc([C@H]2COc3ccccc3O2)n1CCCCOCC)[C@@H]1CCS(=O)(=O)C1 1689990184 MKWGKQOSOKDYEJ-WIYYLYMNSA-N 474.583 2.234 30 10 JEEE C#CCN(c1nnc(CC2CCCC2)n1CCC(=O)N1CCCCCC1)[C@H]1CCS(=O)(=O)C1 1689994197 TUGVGHTVHUIQOB-NRFANRHFSA-N 475.659 2.430 30 10 JEEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1690183110 MFPZBKXFNPSHHT-SJORKVTESA-N 461.613 2.020 30 10 JEEE C=CC1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1690417502 UUYBSJWTNIDXCV-IEGUWTFLSA-N 495.646 2.001 30 10 JEEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CC[C@@]2(CCOC2)O1 1690518522 MUZYEANZUPQDEV-GCJKJVERSA-N 461.588 2.156 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](OC)c1ccc(Cl)cc1 1690528192 XUILTBXQTAXQNO-ROUUACIJSA-N 469.995 2.274 30 10 JEEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 1690670109 ZBRSKXZUOZDLPI-CQSZACIVSA-N 491.474 2.444 30 10 JEEE CCOC1CC(O)(Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CC[C@@](F)(C#N)C2)C1 1696203741 FTEGPBDGFVJMDY-PDRFFQIWSA-N 476.940 2.233 30 10 JEEE COCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1698028264 BNHKBYHHWWSIGC-UHFFFAOYSA-N 480.617 2.123 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CC1(O)CCCCC1)[C@H]1CCS(=O)(=O)C1 1705563133 RCRSBSYSWLCFRC-IBGZPJMESA-N 458.584 2.276 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1Cc1cccc(CN(CC)CC)c1)[C@@H]1CCS(=O)(=O)C1 1705564512 BIPXCOSDQZNKPS-JOCHJYFZSA-N 493.637 2.252 30 10 JEEE C#CCN(c1nnc(C2CCC2)n1CCN(C)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1705565900 KPABVSNBWUGUBR-KRWDZBQOSA-N 451.593 2.039 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(Br)s1 1705628296 CFOUXCRKZRCZNT-CQSZACIVSA-N 487.445 2.333 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2CCC(=O)NC(C)(C)C)CC1 1705646251 UWLNTTSLIJDHJX-UHFFFAOYSA-N 466.586 2.224 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](O)(Cc2cccc(Cl)c2)C1 1705662315 VZVUNNUUVGEZSS-XMSQKQJNSA-N 495.070 2.384 30 10 JEEE C=C(Cl)Cn1c([C@H]2CCCOC2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1705753744 IKGWODOCXPIGCN-HNNXBMFYSA-N 473.024 2.200 30 10 JEEE C=CCN(CCc1ccco1)c1nnc(-c2cccnc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1705880307 BCFUWYLWYJBQSX-SFHVURJKSA-N 456.572 2.450 30 10 JEEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1710874585 HRUIXFDPPJDHST-FQEVSTJZSA-N 480.598 2.147 30 10 JEEE COc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3ccccc3C#N)CC2)cn1 1711833578 DRFAOBCZUCRAQI-UHFFFAOYSA-N 460.542 2.066 30 10 JEEE C#CCCCCn1c(COc2ccc(OC)cc2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1722323686 WUXSCVDATXGQLW-RUZDIDTESA-N 480.569 2.484 30 10 JEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CC1(CS(C)(=O)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1722359043 ICGQZVJENDDKHR-GOSISDBHSA-N 497.042 2.050 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1CCOc1ccccc1C)[C@H]1CCS(=O)(=O)C1 1722362079 RQEHCSDQXNWWTN-FQEVSTJZSA-N 451.552 2.354 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CC1(COC)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1722367787 XTNWRUQMWSTVGR-OAQYLSRUSA-N 471.627 2.488 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCCNC(C)=O)CC1 1722445013 RRAHNTZNRBYFTM-QGZVFWFLSA-N 470.549 2.049 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@](C)(O)c2cccs2)CC1 1722446924 BNVJNUULOCJTDA-JPYJTQIMSA-N 457.600 2.107 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CCCc2nnc(C)s2)CC1 1722449152 NPZPTSDPWXWVIY-UHFFFAOYSA-N 464.599 2.022 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2CCc2nccnc2C)CC1 1722450640 OHPRRPRBXMAYPL-UHFFFAOYSA-N 473.581 2.472 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@](C)(C(N)=O)C1 1722495868 UICCIXIMMSZAQN-WCAVRKLYSA-N 473.599 2.032 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCS(=O)(=O)NC 1722512217 AWEQTRURQIHSBE-UHFFFAOYSA-N 473.603 2.188 30 10 JEEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1722524116 ODAAJIMEGQUYPK-SQNIBIBYSA-N 460.579 2.410 30 10 JEEE C=CCCCn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1722617301 IHBVOCRECGNVHI-UHFFFAOYSA-N 454.550 2.245 30 10 JEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](CCc2ccccc2)C1 1722703246 XLLLQPSSWPNARU-QFIPXVFZSA-N 463.586 2.280 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1722729110 FOOXKAKUKNEBRZ-UHFFFAOYSA-N 492.621 2.239 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](c2cccc(F)c2)C1 1722729145 XAIADIHJBVYHDJ-AZUAARDMSA-N 464.563 2.490 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1722749639 HWFXEJBMBRRMKC-LJQANCHMSA-N 465.583 2.220 30 10 JEEE CCCC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCc2cnn(C)n2)CC1 1727887642 BBOYRPNHNNIMST-UHFFFAOYSA-N 461.574 2.463 30 10 JEEE C#CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1740581760 FJHVALFHLKBWNI-FQEVSTJZSA-N 466.542 2.142 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCN(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1740615555 GVBSVPYRSFJXBM-NRFANRHFSA-N 486.642 2.114 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H](OC)c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1740620656 GGUQBHHJLWOPEA-AZUAARDMSA-N 457.531 2.427 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc4ccccc4n3)n2CCS(=O)(=O)C(C)(C)C)CC1 1740693357 ZCZOZFVBKHDSFJ-UHFFFAOYSA-N 466.611 2.462 30 10 JEEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1740714926 ALHIYCXTFIBRQE-AUSIDOKSSA-N 481.670 2.394 30 10 JEEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](O)(c2ccc(F)cc2)C1 1740858364 PNRBDDBIPZXRHD-KKSFZXQISA-N 451.568 2.482 30 10 JEEE C=CCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCNC(=O)[C@@H]1CC 1740879021 DAOMLBFEHQECQL-QFIPXVFZSA-N 451.619 2.324 30 10 JEEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C)C2(CCC2)C1 1740887454 IAQKIBCLFLIEDF-OALUTQOASA-N 467.636 2.220 30 10 JEEE C=CCN(CC=C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(=O)NCc1ccco1 1740930505 UGGLNXNAXTVSLL-UHFFFAOYSA-N 459.510 2.280 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](C)C1 1740993161 YXBKRJFEUMUBJK-IRXDYDNUSA-N 469.608 2.034 30 10 JEEE C=CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(NC(=O)COC)CC1 1741002533 JOBIZGJIWTUQRU-FQEVSTJZSA-N 473.599 2.441 30 10 JEEE CCCC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCS(=O)(=O)C2)C1 1745123121 BEQVNCYIOSKKMM-QUCCMNQESA-N 470.599 2.137 30 10 JEEE C#CCCCCn1c(N2CCN(C(=O)c3ccccc3O)CC2)nnc1[C@]1(OCC)CCOC1 1748729886 DUWOJQDBFJUECO-VWLOTQADSA-N 467.570 2.402 30 10 JEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(F)c(OC)c2)CC1 1748751684 KDFUMLPTQDAYQF-QGZVFWFLSA-N 461.563 2.068 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1Cc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1748802416 PPVRGDXGOMODLY-IBGZPJMESA-N 461.563 2.011 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1748830961 BSMWTBSBPVDIDP-ACDBMABISA-N 469.611 2.472 30 10 JEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1CC(F)(F)CNC(=O)OC(C)(C)C 1748900637 ISVZEWDYZBISFJ-UHFFFAOYSA-N 464.517 2.023 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@H]1CC=CCO1 1748960637 LYLPOEFVNMLTOL-LJQANCHMSA-N 462.554 2.496 30 10 JEEE C=C(Br)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1749083738 JOCASTNNNYRWEG-UHFFFAOYSA-N 494.357 2.427 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCN2CCCC[C@@H]2C)CC1 1749342731 MWYTYHPILRJCEU-PZJWPPBQSA-N 480.679 2.278 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(S(C)(=O)=O)cc2)C1 1749694862 WTEDOJQIAGOPKY-SFHVURJKSA-N 482.566 2.159 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc3cccnc23)nnc1N1CCN(C(=O)C(C)C)CC1 1749726910 IQLUELJXIQVTJS-UHFFFAOYSA-N 482.610 2.399 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc3cccnc23)nnc1N(C)CCn1cccn1 1749727203 PVUCAPKMSFTXEH-UHFFFAOYSA-N 451.556 2.427 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1749740317 UKVLOWZXNOAVSV-JTSKRJEESA-N 497.017 2.496 30 10 JEEE C=CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H](C)CC(N)=O 1749755689 JXUASGOQGPGFJS-CVEARBPZSA-N 468.624 2.206 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CCCOC(F)(F)F)c1 1760127245 UORHOJDJAGEOPD-UHFFFAOYSA-N 478.475 2.497 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@]1(O)CCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1760183111 MMZVQMAYEHKDEQ-ROMRWMGNSA-N 488.610 2.140 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H](CC)OC)[C@@H]1CCS(=O)(=O)C1 1760183250 PMJGGIUADMDDEB-WOJBJXKFSA-N 473.599 2.199 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2CCCNC(=O)c2occc2C)CC1 1760264531 RQAZYZJGVLIWQN-UHFFFAOYSA-N 480.544 2.473 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1760313392 NMPCZLQTDYRQTI-WCAVRKLYSA-N 479.647 2.193 30 10 JEEE C=C(C)Cn1c(N2CCN(CC(=O)N[C@@H]3CCC[C@H](C)C3)CC2)nnc1[C@]1(OCC)CCOC1 1760349571 QCOOYJKZDYOTEI-BKSPAHHJSA-N 474.650 2.323 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2nccc(C(F)(F)F)n2)C1 1760534173 SAZPJFBOVXICKS-OAHLLOKOSA-N 465.480 2.347 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)Cc1c(C)noc1C 1760551180 VUTWXJQIHVTCPC-UHFFFAOYSA-N 493.611 2.191 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(C(C)(C)C)CC1 1760555184 ZJBYPGQMPBESDJ-FQEVSTJZSA-N 475.615 2.312 30 10 JEEE CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)N(C)C2CC2)CC1 1762053803 BZUQRPPDMBOPFC-UXHICEINSA-N 478.645 2.336 30 10 JEEE CC[C@H](C)[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1)OC 1763464200 FCVGUAFGFIIVCT-HQRMLTQVSA-N 453.547 2.004 30 10 JEEE CN(C)CC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1766918707 BFYKGKGYCIEYND-UHFFFAOYSA-N 473.647 2.265 30 10 JEEE CO[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)CC2CC2)C1 1769067735 FTNINDJFSKSIQL-FQEVSTJZSA-N 459.572 2.169 30 10 JEEE COC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCCS2(=O)=O)C1 1769397300 BGTWIBVLXIMQJX-QUCCMNQESA-N 487.582 2.085 30 10 JEEE C=CCN(CC=C)C(=O)[C@@H](CC)NC(=O)[C@@H]1CC(=O)N(CCc2ccc(OC)c(OC)c2)C1 1862161936 ICZVGCDEFWQGST-WOJBJXKFSA-N 457.571 2.190 30 10 JEEE COc1cc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2CCNC(C)=O)cc(Cl)c1O 1862565786 GMWCFKFHPISWPP-GOSISDBHSA-N 459.886 2.351 30 10 JEEE CC[C@@H](C)[C@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1869930255 VSHHSOVWPJEBOJ-VGSWGCGISA-N 470.595 2.497 30 10 JEEE C=CCOc1cn(CCN2CCOCC2)c(CN2CCN(Cc3ccccc3)CC2)cc1=O 1870386683 ZGPCNRNKZBNQHA-UHFFFAOYSA-N 452.599 2.063 30 10 JEEE C=CCn1cc(OCC(=O)Nc2ccc3c(c2)OCO3)c(=O)cc1CN1C[C@H](C)O[C@@H](C)C1 1870434483 OUJYOZLAUPQETB-IRXDYDNUSA-N 455.511 2.390 30 10 JEEE COC(=O)c1ccc(CSc2nnc(CNC(C)=O)n2/N=C/c2ccc(O)c(OC)c2)o1 1874433670 RSAZRAAOOPFTPW-LSFURLLWSA-N 459.484 2.183 30 10 JEEE N#Cc1ccnc(O[C@H]2CCN(C(=O)[C@H]3CCCN(S(=O)(=O)c4ccc(F)cc4)C3)C2)c1 1890120320 WDPBXGYSDHGGAW-HKUYNNGSSA-N 458.515 2.173 30 10 JEEE COCCCn1c(C(=O)N2CC[C@H](Oc3cc(C#N)ccn3)C2)cc2c(=O)n3ccccc3nc21 1890403224 GQSIOBURUDKSSM-SFHVURJKSA-N 472.505 2.246 30 10 JEEE C#CCN(C(=O)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1 2180120089 RAEZSKVTCWTMES-SQJMNOBHSA-N 490.622 2.479 30 10 JEEE CO[C@@H](C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)C1CN(C(=O)OC(C)(C)C)C1 2185151909 RAEBCQDIIZXFIS-LJQANCHMSA-N 460.380 2.484 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N[C@H]2CCOC[C@H]2NC(=O)OCc2ccccc2)C1 2247564429 HXFJZMCSUXUIBL-VRKNGFHPSA-N 471.554 2.493 30 10 JEEE CN(C)C(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2255748602 FZCKLHUVJSIMQG-UHFFFAOYSA-N 464.418 2.326 30 10 JEEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)[C@H](CCO)NC(=O)OC(C)(C)C 2256668741 FNWVIBMLXRYHPS-HNNXBMFYSA-N 454.398 2.281 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](OCCNC(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267013248 HKLPDSQRSYIVBV-MRXNPFEDSA-N 450.341 2.335 30 10 JEEE CC(C)(C)OC(=O)N1CCN(CCNC(=O)c2csc(B3OC(C)(C)C(C)(C)O3)c2)CC1 2267289871 VZZGYWLEPKHUJR-UHFFFAOYSA-N 465.425 2.330 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](NC(=O)c2c(Cl)cccc2B2OC(C)(C)C(C)(C)O2)C1 2267479463 MCQFRNAKAUYOTI-HOTGVXAUSA-N 466.771 2.349 30 10 JEEE CN([C@H]1CCN(C(=O)OC(C)(C)C)C1)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2267707318 OPAJDCYWNFELCU-AWEZNQCLSA-N 487.453 2.213 30 10 JEEE CC(C)(C)OC(=O)N1CC(C)(OCC(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C1 2268654733 CVVNTYYOYDPOCD-UHFFFAOYSA-N 467.397 2.085 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CC(=O)NCc2sccc2B2OC(C)(C)C(C)(C)O2)C1 2268668339 DBVVWTGCNXJFEM-GOEBONIOSA-N 466.409 2.281 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)CC1 2270585031 UGPWWAJRSLOXAX-GFCCVEGCSA-N 461.315 2.424 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CN(c3nccc(B4OC(C)(C)C(C)(C)O4)c3F)C[C@@H]2[C@@H]1CO 2280764520 RWVXDEZOKILYFJ-ZOBUZTSGSA-N 463.359 2.184 30 10 JEEE CCc1nc(C(=O)N[C@@H](C)C2(O)CN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2282019317 JVCUYYHMHGFBBP-ZDUSSCGKSA-N 481.424 2.105 30 10 JEEE C[C@@H]1C[C@H](CNC(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2282043590 KNPCROUBCNXYCA-HZPDHXFCSA-N 462.400 2.342 30 10 JEEE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282303685 ZPGFXMOGWMDFDX-CRAIPNDOSA-N 481.424 2.305 30 10 JEEE CO[C@H]1C[C@@H](CNC(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)N(C(=O)OC(C)(C)C)C1 2282514209 ABISKDQANWKXOD-HOTGVXAUSA-N 461.368 2.135 30 10 JEEE CC(C)(C)OC(=O)NC[C@]12CN(C(=O)c3nscc3B3OC(C)(C)C(C)(C)O3)C[C@@H]1CCO2 2282525837 NFHHWNAZCOWXQO-FPTDNZKUSA-N 479.408 2.198 30 10 JEEE Cc1c(C(=O)N2C[C@H]3CCN(C(=O)OC(C)(C)C)[C@H]3C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282582792 ZKDJIXJJTBXRAM-CVEARBPZSA-N 460.384 2.109 30 10 JEEE C[C@H]1CN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C[C@H](C)N(C(=O)OC(C)(C)C)C1 2282624497 MMYWFIWNUMWMAZ-HOTGVXAUSA-N 460.384 2.493 30 10 JEEE CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)NCCN2C(=O)[C@@H]1C[C@@H]1B1OC(C)(C)C(C)(C)O1 2282637037 UBMZQODLARPCCV-CVEARBPZSA-N 463.384 2.197 30 10 JEEE CN(Cc1csc(NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)n1)C(=O)OC(C)(C)C 2282680482 ORQSNXUNRFUIFV-UHFFFAOYSA-N 478.384 2.190 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CN(S(=O)(=O)c3ccc(F)c(B4OC(C)(C)C(C)(C)O4)c3)C[C@@H]21 2282842585 AIISKBCEQAZMNG-JLVBRIDZSA-N 482.383 2.269 30 10 JEEE C[C@@H]1C[C@H](NC(=O)C(F)(F)F)CCN1S(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2282854099 NHSMZSBCYQQXCK-UKRRQHHQSA-N 476.326 2.206 30 10 JEEE C[C@@H](NC(=O)CN1CC[C@H](NC(=O)OC(C)(C)C)C1)c1nscc1B1OC(C)(C)C(C)(C)O1 2283956721 TWRGFERHIBEHDM-CABCVRRESA-N 480.440 2.219 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)OCC12CC2 2284048549 MCGQUORAEPCCKC-OAHLLOKOSA-N 459.352 2.488 30 10 JEEE CC(C)(C)OC(=O)N[C@@]1(C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)C[C@@H](O)C1(C)C 2284056884 QESGKBVPPLVXFM-JLCFBVMHSA-N 481.424 2.113 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](C(=O)N=c3nc(B4OC(C)(C)C(C)(C)O4)[nH]s3)C[C@@H](C2)C1 2286599807 ZNKXIWJISZWGTQ-QDMKHBRRSA-N 478.424 2.481 30 10 JEEE COc1ccc(N2C[C@H](c3nnc(SCCO)n3N=Cc3ccc(O)cc3O)CC2=O)cc1 2325882407 BCRMPACXWDXBGN-OAHLLOKOSA-N 469.523 2.185 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCN(C(=O)OC(C)(C)C)CC[C@H]2C)n1C 2362486721 KMMWJNFNTOVUQN-OAHLLOKOSA-N 462.400 2.499 30 10 JEEE Cc1nn(C(C)C)c(C)c1/C=N/Nc1nnc(SCCC(=O)NCc2ccc3c(c2)OCO3)n1N 20911982 DJAIXNNSVMGCJO-OPEKNORGSA-N 499.601 2.359 30 10 JEEE N#Cc1ccccc1CO[C@@]1(C(=O)NC2CC2)C[C@@H](O)[C@@H](O)[C@H](OCc2ccccc2F)C1 37421813 FHSGLMDZHAMTAG-WBJOIXBTSA-N 454.498 2.332 30 10 JEEE COc1cc(/C=N/Nc2nc(SCC(=O)NCc3ccccc3OC)n[nH]2)c([N+](=O)[O-])cc1O 59040039 KRMOTCUXCFNUAD-LSHDLFTRSA-N 487.498 2.290 30 10 JEEE C=CCNC(=O)CCSc1n[nH]c(N/N=C/c2ccc(OC)c(OCn3cccn3)c2)n1 59817950 XYHBDIQPOFGBBV-LPYMAVHISA-N 456.532 2.277 30 10 JEEE C[C@H]1C[C@@H]2[C@H]3CC[C@@](O)(C(=O)COC(=O)CCC(=O)O)[C@@]3(C)C[C@@H](O)[C@H]2[C@@]2(C)C=CC(=O)C=C12 263599006 IMBXEJJVJRTNOW-STFJTKHZSA-N 474.550 2.219 30 10 JEEE CNC(=O)C(C#N)=c1sc(=Cc2cccc(OC(F)(F)F)c2)c(=O)n1Cc1ccccc1 609074878 VOFMVPIXBORPSW-UHFFFAOYSA-N 459.449 2.106 30 10 JEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1ccc(OCCN(C)C)cc1 727733240 BNEALOJZEHBFPQ-NRFANRHFSA-N 472.611 2.397 30 10 JEEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CCc1ccccn1 729670063 ZQOUAAAXIZAGAM-QGZVFWFLSA-N 457.559 2.313 30 10 JEEE C=CCn1cc(C=NNc2nc(SCC(=O)Nc3cc(OC)c(OC)c(OC)c3)n[nH]2)cn1 1083888370 XPTPBDZAWZHABC-UHFFFAOYSA-N 472.531 2.390 30 10 JEEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCS(=O)(=O)C[C@H]1c1cnn(C)c1 1177719015 XIGMWCIBPONBGW-ROUUACIJSA-N 454.593 2.358 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1CCN(C)Cc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1286387373 QHJIFPVNUTYNRS-OAQYLSRUSA-N 482.585 2.238 30 10 JEEE C#CCN1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCC(=O)N[C@@H](C)CC)CC1 1286476935 KIEIIVNHNUPHQD-FQEVSTJZSA-N 460.586 2.191 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCNC(=O)[C@@H](C)CCC)CC1 1286489551 XDQNWQMSSPXIDG-SFHVURJKSA-N 494.596 2.192 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2C[C@H](C)N2CCN(CC)CC2)CC1 1286493204 FISWWAZIGJEWLC-NRFANRHFSA-N 469.678 2.003 30 10 JEEE C#CCSCCn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1286509017 SHYHMWGSLFEMNX-QFIPXVFZSA-N 483.638 2.266 30 10 JEEE C=C(C)Cn1c(COc2ccccc2OCC)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1286598465 LJNULZBZTODNJF-KRWDZBQOSA-N 466.546 2.364 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 1286791119 NIFPCHOBKQKULT-WIYYLYMNSA-N 496.612 2.472 30 10 JEEE C=CCOc1ccc(Cn2c([C@H]3OCC[C@H]3COC)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)cc1 1286797290 UTTUUJRIBCSJGJ-ZVDOUQERSA-N 476.599 2.239 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2C[C@@H](C)N(C)C)C1 1286806416 YATRKMMGYQIWAR-SJLPKXTDSA-N 461.636 2.278 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)Cc1cnn(CC)c1 1286820615 OJVMUDDNCAADLQ-FQEVSTJZSA-N 472.571 2.244 30 10 JEEE CC(C)NS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 1288268028 AJMBPLAMDLUJBF-OXJNMPFZSA-N 458.588 2.148 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CC1(O)CCOCC1 1292116409 AUNMWMGTZRBJPK-UHFFFAOYSA-N 499.591 2.075 30 10 JEEE CCS(=O)(=O)NCCn1c(Cc2ccccn2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1297785145 CCHBUBMLXWLITJ-UHFFFAOYSA-N 477.594 2.369 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1CCc1cccnc1)[C@H]1CCS(=O)(=O)C1 1300488084 ANYSECBUZXAMOY-IBGZPJMESA-N 481.578 2.227 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1300506330 QPSGWDGFGVDCTB-TYPHKJRUSA-N 476.574 2.011 30 10 JEEE C=C(Cl)Cn1c(N2CCN([C@H](C(N)=O)c3ccccc3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1301061339 SLZDZACPNKFTPA-RDPSFJRHSA-N 489.020 2.420 30 10 JEEE C=CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(=O)(=O)Cc2ccon2)CC1 1301113719 CTTVRIBDEVHIOW-UHFFFAOYSA-N 467.555 2.327 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1301489960 IHQNCKFKVSOHRE-QGZVFWFLSA-N 455.950 2.086 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1301506213 HSOPQQPKILZUJH-UHFFFAOYSA-N 492.580 2.352 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CC(=O)N[C@H]3CCCC[C@H]32)cc1 1301519901 AGUPEAVPQOCGID-VQTJNVASSA-N 452.559 2.277 30 10 JEEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@](C)(OC)C2CC2)C1 1314001183 FHQUBVXTGBFZRU-KNQAVFIVSA-N 458.588 2.150 30 10 JEEE CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)Cc1nc(O)c2sccc2n1 1314641568 BKJJPNWTIOJMPT-UHFFFAOYSA-N 478.538 2.164 30 10 JEEE C#C[C@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@H](N1CCOCC1)C(F)(F)F 1358894851 YIHCCMXXEFNSHR-WMZOPIPTSA-N 461.492 2.238 30 10 JEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1Cc2ccccc2C1 1358913028 DGTKFAOBYLTZKX-OAQYLSRUSA-N 457.600 2.018 30 10 JEEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC[C@H]1CCCN1C(=O)OC(C)(C)C 1358948775 LDDNSMYQKPBRID-QZTJIDSGSA-N 465.620 2.429 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1358965407 UVVAMJHKGUNNGD-LJQANCHMSA-N 491.589 2.159 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H](C)N1CCN(CC)CC1 1358973957 LZWOSNYROKHORG-FQEVSTJZSA-N 450.587 2.061 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@]1(OC)CCOC1 1359007830 XHZUWBJOPKXPFA-XMMPIXPASA-N 450.543 2.330 30 10 JEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(F)c(OC)c2)CC1 1359060069 JCZUTJUBUOOOBC-UHFFFAOYSA-N 472.590 2.241 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC(F)F)c2)n1CCCNS(C)(=O)=O 1359066374 YTJKVMNSYYLQSB-HXUWFJFHSA-N 453.515 2.478 30 10 JEEE C=C(C)COCCn1c(COc2ccccc2F)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1359136858 XBUYWYBNYPBTPH-OAQYLSRUSA-N 486.592 2.332 30 10 JEEE C=CCCOCCn1c(Cc2ccsc2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1359228526 GGWGORXCARXRFL-IBGZPJMESA-N 458.588 2.290 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2CCS(=O)(=O)CC2)C1 1359326406 ZJWXZIVESXDTKI-NRFANRHFSA-N 471.583 2.335 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC2CCN(C(=O)OC)CC2)C1 1359327293 YADPUZKKBULSRE-UFYCRDLUSA-N 463.579 2.262 30 10 JEEE CC(C)OCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1360397009 CXTCFHKFSGDRRJ-LJQANCHMSA-N 460.604 2.350 30 10 JEEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)c(OC)c2)c1 1457270350 GHIOTTWOJZFUCZ-AWEZNQCLSA-N 452.554 2.054 30 10 JEEE O=C(c1ccc(F)c(C(F)(F)F)c1)N1CCC(NS(=O)(=O)NCC(F)(F)F)CC1 1467267155 BOTLGIUQDQKQMG-UHFFFAOYSA-N 451.364 2.435 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H](C(C)C)N1CCOCC1 1507522990 ZTBMHLJANJBWGD-WIYYLYMNSA-N 459.616 2.163 30 10 JEEE C#CCCCCn1c(-c2cccn2C)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1507558729 KOQXIOLZAASFBN-REWPJTCUSA-N 451.619 2.466 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C)[C@H]1CCS(=O)(=O)C1 1507621512 BHNUOXSJZYCIGI-CEXWTWQISA-N 493.674 2.273 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@@H](C1CC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1507635706 YTITUYOHQMFSQE-YADHBBJMSA-N 455.628 2.144 30 10 JEEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1CCc1ccccc1C)[C@@H]1CCS(=O)(=O)C1 1507639196 JTCVPNMBKHZPMX-HXUWFJFHSA-N 497.646 2.447 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(OC)c(OC(F)F)c1 1507688905 FIJDZCZEUOKBOZ-INIZCTEOSA-N 468.526 2.492 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2cc(Cl)c(OC)c(OC)c2)CC1 1507718943 IINBGBJDORYEGV-XMMPIXPASA-N 490.004 2.404 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCN(C)CC(F)(F)F)CC1 1507719138 YOORFARLCGRHOF-UHFFFAOYSA-N 474.329 2.285 30 10 JEEE C#CCN1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCN(C)CC(F)(F)F)CC1 1507723519 LCTDNYSRSGCWAK-UHFFFAOYSA-N 472.519 2.380 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C(F)(F)F)cc2)CC1 1507731617 NHRCZKWQTSRQAQ-KRWDZBQOSA-N 467.517 2.003 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCC(F)(F)F)CC1 1507733939 OKBSNJVLJPECTA-UHFFFAOYSA-N 463.464 2.234 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCC(C)(C)O)CC1 1507735046 IKBHBHHKHXCYQJ-UHFFFAOYSA-N 455.559 2.089 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H](C)OC)CC1 1507739054 LPYGIUVAZDLKPJ-AZUAARDMSA-N 488.633 2.393 30 10 JEEE C#CCSCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1507743976 HETSLFVQSWBUFT-UHFFFAOYSA-N 485.582 2.385 30 10 JEEE C=CC[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](COC)C1)c1ccccc1 1507928109 HVJSYIURSOKEGK-HKBOAZHASA-N 460.600 2.392 30 10 JEEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1507934453 GDVLNBDBHMTVGC-PMACEKPBSA-N 462.620 2.255 30 10 JEEE C=CCN(CC=C)c1nnc(-c2ccc(OC)c(OC)c2)n1CC1(O)CCS(=O)(=O)CC1 1508013989 UEOUVKDZCVWSCN-UHFFFAOYSA-N 462.572 2.080 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1508074056 MCBPZEFOTNRRCN-RDTXWAMCSA-N 471.493 2.129 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1508074348 QCSPYVPQCXIRJA-KRWDZBQOSA-N 486.573 2.320 30 10 JEEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCN(c2nc(C)cc(OCC)n2)CC1 1508095686 RBXUNWOKQKLWPR-UHFFFAOYSA-N 468.606 2.137 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC2(O)CCS(=O)(=O)CC2)C1 1508128784 OVNKUEROAJFHCL-LJQANCHMSA-N 497.017 2.232 30 10 JEEE C=CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C(C)=O)C[C@H]1C 1508150039 GZSMIHDJETYWDO-QGZVFWFLSA-N 492.671 2.172 30 10 JEEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1Cc1ccnc(-n2cccn2)c1 1510111831 IDEQXXIMYSKCSJ-QGZVFWFLSA-N 476.566 2.315 30 10 JEEE CCNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(SC)CCN(C)CC2)CC1 1516006718 FZLHSUHJHGYWQR-UHFFFAOYSA-N 482.658 2.496 30 10 JEEE C=CCn1c(SCC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)nnc1-c1ccc(Cl)cc1 1537006482 UUSVRESOAOPYKT-MGPUTAFESA-N 477.999 2.273 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1ccc(C(N)=O)nc1 1539034554 GAUZHOMQFHGLHT-QAPCUYQASA-N 453.547 2.350 30 10 JEEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1539053049 YQWBAYYGHJMRSD-LJQANCHMSA-N 493.655 2.012 30 10 JEEE C#CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCN(C(C)=O)CC1 1539071452 UHLRLWZCOSTNCP-HXUWFJFHSA-N 474.606 2.449 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@](C)(O)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 1539211216 JETHOCDBEDMVER-WMZHIEFXSA-N 457.600 2.298 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@H](c1ccsc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1539211779 OUCHWTZQONOTDL-UYAOXDASSA-N 472.640 2.275 30 10 JEEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1C[C@H](C1CC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1539230148 KRJCUCFSJBZHCG-TZIWHRDSSA-N 492.045 2.477 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1CC1CCN(C(C)=O)CC1 1539417078 XUGBNJXRYMCDCG-QFIPXVFZSA-N 453.543 2.135 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H]2CCCN(CC(C)C)C2)CC1 1539430239 HNXRJBOSAGQLPL-RCZVLFRGSA-N 458.651 2.053 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccc(F)c(COC)c2)CC1 1539431015 QPEKKNVLGVUTEX-DEOSSOPVSA-N 457.550 2.019 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@@H](C)N2CCc3ccccc3C2)CC1 1539489795 NTNJPKDNAHTSDN-HXUWFJFHSA-N 464.614 2.227 30 10 JEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(=O)c2ccccc2)CC1 1540035524 DMOIGVXFXMJQCH-OAQYLSRUSA-N 487.626 2.125 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCN2CCSCC2)C1 1540886162 WWCOTQFXNNFFHI-IBGZPJMESA-N 477.656 2.179 30 10 JEEE C=CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@]2(CCOC2)C1 1540911481 YNUUQBJKCMKCHO-OAQYLSRUSA-N 464.613 2.264 30 10 JEEE COC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCN(C(C)C)CC2)C1 1554514228 FXACDPQYAPWUGX-OAQYLSRUSA-N 466.586 2.441 30 10 JEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H](C)C2(C(=O)OCC)CCOCC2)cc1 1562198488 OZNSLWUORQNPLV-INIZCTEOSA-N 453.561 2.363 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](c2ccccc2C)C1 1587860810 BTOPNPBLOVDQHM-PZJWPPBQSA-N 457.600 2.327 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1Cc1ccn(C)n1)[C@@H]1CCS(=O)(=O)C1 1588030297 SFIWLMVWNTVXFL-AZUAARDMSA-N 498.609 2.225 30 10 JEEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1CC(C)(C)C1)[C@H]1CCS(=O)(=O)C1 1588034082 AWGKLVHIAQVNDN-WMZHIEFXSA-N 464.632 2.382 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1CCc1ccccc1OCC)[C@H]1CCS(=O)(=O)C1 1588049962 OJWGXEZHACRGNA-IBGZPJMESA-N 466.567 2.003 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 1588078800 MMDZGEXMSVTGFO-NRFANRHFSA-N 483.532 2.164 30 10 JEEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1Cc1cccc(CN2CCOCC2)c1 1588185758 LPXASEDKISPFEJ-MHZLTWQESA-N 477.609 2.274 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2coc(-c3ccccc3)n2)CC1 1588751758 MQMDQYRTBDCZJA-LJQANCHMSA-N 450.543 2.461 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)CC(C)C 1589545580 NVTRMTRUIWIMBD-FHWLQOOXSA-N 455.625 2.075 30 10 JEEE C=CC[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)NC(C)C)CC1)c1ccccc1 1594544855 NKMCXLWXFMHGEW-VXKWHMMOSA-N 479.629 2.236 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ccccc1C(C)C 1594962625 MXRHDSHGTULIGD-FQEVSTJZSA-N 463.604 2.436 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1595556534 XCBCNJPRTYELKB-LJQANCHMSA-N 466.565 2.435 30 10 JEEE C=CCSCCn1c(CCc2ccccc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1595895557 MYJPWDPZYXIDQR-LJQANCHMSA-N 454.600 2.455 30 10 JEEE C#CC[C@H](NCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)c1ccccc1 1642509531 FQSIPCJMAJUBDY-DEOSSOPVSA-N 451.592 2.362 30 10 JEEE CCn1c(CCC(=O)Nc2n[nH]c(C3CC3)c2C#N)nc2cc(S(=O)(=O)N(C)C)ccc21 1642524000 HBMJRYANKFLUPN-UHFFFAOYSA-N 455.544 2.350 30 10 JEEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CCC(=O)NCc1ccccc1 1689860688 GAOVYBMMEQBQPW-KRWDZBQOSA-N 450.568 2.434 30 10 JEEE C#CCCCCn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1689893131 UYTFOWPYGUTXOH-FDFHNCONSA-N 456.635 2.212 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(NC(=O)CC(C)C)c1 1690019995 WFXQJCLETBYUHW-FQEVSTJZSA-N 467.595 2.286 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCN1CCOC[C@H]1C 1690043422 AMLXXMYUMCBSRU-OAQYLSRUSA-N 487.608 2.249 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CC[C@@](C)(O)c2ccccc2)CC1 1690152749 WSHZJXUHZIEXOM-HHHXNRCGSA-N 489.624 2.403 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(OC(F)F)cc1 1690288324 RRWLUMOHCPOISF-KRWDZBQOSA-N 471.530 2.425 30 10 JEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2cc(C)ccc2OC)CC1 1690310275 ZFRNSTAEWUUMGD-OAQYLSRUSA-N 468.602 2.461 30 10 JEEE C=CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1690480290 DZVXFDGXVVEHFQ-CVEARBPZSA-N 458.588 2.416 30 10 JEEE C=CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(NC(=O)COC)CC1 1690483765 WERYLJVNBWACAH-UHFFFAOYSA-N 468.606 2.150 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CC(C)(C)NC(=O)OC(C)(C)C 1694352490 CLUGVHUDLJOFLE-INIZCTEOSA-N 463.583 2.229 30 10 JEEE CO[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1697123668 CNTJFDOTSKBTNF-SFHVURJKSA-N 478.601 2.436 30 10 JEEE COc1ccccc1SCc1nnc(N2CCO[C@H](C#N)C2)n1CCN1CCOC[C@H]1C 1697627674 CYHUZPJFMXYODH-QZTJIDSGSA-N 458.588 2.028 30 10 JEEE COC[C@@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1)OC 1697766488 AEYFKUGAYQLWNM-YADHBBJMSA-N 465.558 2.251 30 10 JEEE COCCN(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1698023820 CYPFSTAMTRGNFN-NTKDMRAZSA-N 454.575 2.169 30 10 JEEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC[C@@H](C(F)F)N1CCOCC1 1705540851 PEKQVLDRAGVPLQ-SFHVURJKSA-N 480.947 2.287 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC[C@@](C)(O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1705566884 RLMCTGPNNBWXBK-ZFGGDYGUSA-N 472.611 2.444 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1705577754 RULASBYHJLULRE-UHFFFAOYSA-N 464.577 2.475 30 10 JEEE C=CCCOCCn1c(-c2cccn2C)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1705828473 OSGKVIDYAMPJLV-SFHVURJKSA-N 452.563 2.274 30 10 JEEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCO[C@H](COC(C)C)C1 1705900434 DFPHEMMDPGWLKY-SFHVURJKSA-N 452.559 2.369 30 10 JEEE C=CCNC(=O)Cn1c(N2CCO[C@H](c3cccc(Cl)c3)C2)nnc1[C@]1(OCC)CCOC1 1705908578 DIXHUWPUZXYVIP-CVDCTZTESA-N 475.977 2.464 30 10 JEEE C=CCOc1ccc(Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCC[C@H](C(N)=O)C2)cc1 1705911025 WFSMNUXNWUCWDV-ZJOUEHCJSA-N 455.559 2.317 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](c2ccccc2)N(C)C)C1 1705925537 QJAZVNZDOFSOQL-HBMCJLEFSA-N 459.616 2.264 30 10 JEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 1705946515 JRBXENDXYOVRAY-ZWKOTPCHSA-N 483.704 2.478 30 10 JEEE CC(C)NC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1706644656 HWPKUPGSOURKJF-LJQANCHMSA-N 483.573 2.071 30 10 JEEE CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@](C)(O)C2CC2)CC1 1708632798 DCXRZGMFNASBSP-IQGLISFBSA-N 465.602 2.014 30 10 JEEE CCN(CC)CCCn1c(Cc2ccccn2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1710063113 DRTXWUVZSGTCAF-FQEVSTJZSA-N 474.617 2.373 30 10 JEEE CNC(=O)[C@@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cnccc2OC)C1 1711324827 GBRFHMVPQJJMIG-DEOSSOPVSA-N 461.526 2.143 30 10 JEEE CNC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC[C@H](O)C2)C1 1711347805 HHHBMOZAFNBEQU-ZCNNSNEGSA-N 452.559 2.242 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC2(OC)CCC2)c1 1722310734 ZTLFQESXEOYXLJ-LJQANCHMSA-N 485.610 2.196 30 10 JEEE C#CCCCCn1c(COc2ccc(OC)cc2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1722323687 WUXSCVDATXGQLW-VWLOTQADSA-N 480.569 2.484 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H](C)c1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1722359100 PXZHFAGLMGGANX-QUCCMNQESA-N 457.600 2.155 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 1722368150 ZCDAUINPUBNYES-VIZSFHNOSA-N 462.616 2.302 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@H](C)CN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1722370267 BFCCFXHQXAXDPR-FYYLOGMGSA-N 469.655 2.422 30 10 JEEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@H]1CCOC[C@H]1C 1722386260 YYKCMZGEFMZGPZ-DNQXCXABSA-N 460.626 2.388 30 10 JEEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](c1ccccc1)N1CCOCC1 1722402905 GSUIZWGGVOMHEH-NRFANRHFSA-N 459.554 2.458 30 10 JEEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCNC(=O)C1CCC1 1722410284 YYASBMCMTVTMNM-UHFFFAOYSA-N 457.604 2.004 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCCCn1cc(Br)cn1 1722466633 BFSYFIQWZKOQPR-HNAYVOBHSA-N 498.451 2.320 30 10 JEEE C=C(Br)Cn1c(N2CCN(C[C@@H]3CCOC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1722490009 VPOYRPGCEQZAEQ-RXVVDRJESA-N 484.439 2.386 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CCOC)[C@H](CC)C1 1722490808 DJMAZWBFONPVKC-VWPQPMDRSA-N 483.617 2.454 30 10 JEEE C=C(C)COCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCS(=O)CC1 1722532717 UKLMMWCJHCPYPE-UHFFFAOYSA-N 470.599 2.226 30 10 JEEE C=CCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1722625461 RHFTZFVTJJUKAQ-NRFANRHFSA-N 470.599 2.414 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 1722724788 GBHHMOSHBJVRHZ-IBGZPJMESA-N 495.671 2.293 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(OC)cc2)nnc1N1CC[C@@]2(CCCOC2)C1 1722732046 TYKBSKFMGJVWJT-QHCPKHFHSA-N 476.599 2.473 30 10 JEEE C[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CN2CCOCC2)CC1)N(C)C 1723856566 HGSAIGDOEFLJRA-HXUWFJFHSA-N 467.618 2.227 30 10 JEEE C[C@@H]([C@@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H](C)CN1CCOCC1)S(C)(=O)=O 1723876264 DXXMSONXGUWUIQ-QRVBRYPASA-N 474.631 2.043 30 10 JEEE Cc1nc(C)n(C[C@@H]2CCCN(c3nnc(-c4ccc(C#N)cc4)n3CC(=O)NC(C)C)C2)n1 1726170926 DKOCHAKUDNNTLJ-HXUWFJFHSA-N 461.574 2.466 30 10 JEEE C[C@H]1CC[C@@H](C)N1CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)O)CC1 1726502511 CNOHNCMAIMVRGO-OYRHEFFESA-N 481.645 2.494 30 10 JEEE COc1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@H](C)CS(C)(=O)=O)c(OC)n1 1730153478 FHUNDAGFPKPDFZ-OAHLLOKOSA-N 470.555 2.147 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCCOC(C)C)[C@@H]1CCS(=O)(=O)C1 1740618177 DETBDJWOPSTUNP-MRXNPFEDSA-N 484.420 2.478 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CC(O)(CC)CC)[C@@H]1CCS(=O)(=O)C1 1740627781 KMQGEMDZUHLIOH-LJQANCHMSA-N 460.600 2.343 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2(COC)CCOCC2)CC1 1740703364 PJKVPFSWBHQUBD-UHFFFAOYSA-N 496.568 2.262 30 10 JEEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1740870016 HCEWTQKKDQUPEB-QFIPXVFZSA-N 458.588 2.021 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2cccnc2)n1CC1(O)CCS(=O)(=O)CC1 1740916004 AKBXWKCRZQIITE-UHFFFAOYSA-N 492.605 2.268 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccc(NC(=O)[C@H]3CCCO3)c2)C1 1740970335 JNKBGNAIANIPMC-LEWJYISDSA-N 482.585 2.363 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccc(C(F)(F)F)n2)C1 1740972083 CKZQAXFWKARPTR-DZGCQCFKSA-N 474.509 2.132 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2Cc2snnc2C)C1 1740976066 ZRMZKXGYAGGGQC-KRWDZBQOSA-N 489.627 2.185 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc3ccccc3o2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1740987623 KOJLRQXSFGTEIC-QGZVFWFLSA-N 478.596 2.306 30 10 JEEE C[C@H](C#N)CN(C)c1nnc(COc2ccc(Br)cc2)n1CCNC(=O)c1cc[nH]n1 1741134739 HTCWOXQZBBTDOP-CQSZACIVSA-N 487.362 2.369 30 10 JEEE CC(C)(C)[S@@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1741242061 CJONODWVKBWIBD-PBYQXAPXSA-N 463.629 2.377 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC1(OC)CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1748821599 RNVWQUIBNURCDD-RUPGZQMFSA-N 488.658 2.362 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccc(C(=O)N(CC)CC)cc1)[C@H]1CCS(=O)(=O)C1 1748824219 LLQBIHWRDKPGSF-FCHUYYIVSA-N 499.637 2.287 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1CC1=CCCOC1)[C@H]1CCS(=O)(=O)C1 1748825031 VOZKLDDCGHHTFF-NRFANRHFSA-N 470.595 2.447 30 10 JEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2ccccc2Cl)C1 1749023508 UATHPVIDZOJGHF-YJBOKZPZSA-N 484.047 2.486 30 10 JEEE C=CCCOCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1749454678 LEJQWTWXKCYOAQ-QGZVFWFLSA-N 458.563 2.340 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N(C)CC(=O)N(C)[C@@H](C)c1ccccc1 1749669967 MQGJQCJKNKVERR-AZUAARDMSA-N 454.575 2.478 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1749687453 SJBKCRMBZAYIBD-LJQANCHMSA-N 454.575 2.334 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCSC[C@H]1C 1749687487 UKNKPQQAUGNLKT-CVEARBPZSA-N 451.618 2.443 30 10 JEEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1[C@H]1C[C@H](c2ccccc2Cl)C1 1760174336 FUUWGCFOTNADSW-BXWFABGCSA-N 463.991 2.453 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccc(OC)c(OC(F)F)c1)[C@H]1CCS(=O)(=O)C1 1760187720 LNESGVFQVOZMBM-SJORKVTESA-N 496.536 2.067 30 10 JEEE C#CCN(CC#CC)c1nnc(COc2ccccc2OC)n1C[C@@H]1CCCCS1(=O)=O 1760222855 AWTONALJXGZUAF-IBGZPJMESA-N 456.568 2.296 30 10 JEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@](C)(O)c1ccc(F)cc1 1760248225 FEFGDIXHSUSXJC-QHCPKHFHSA-N 455.490 2.139 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@H](OC)C(C)(C)C)CC1 1760254851 NBLWPFQXCLUIGH-NRFANRHFSA-N 488.658 2.012 30 10 JEEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(Cc1ccc(-n2cncn2)cc1)C1CC1 1760341669 OVVQYLQNHSXNRK-MRXNPFEDSA-N 456.576 2.214 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC(N2CCCC2=O)CC1 1760517016 ZWFHUUCLADJRIS-QGZVFWFLSA-N 470.549 2.451 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC([C@](C)(O)C(F)(F)F)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1760529148 XYLQXAQIAAXSHW-LEWJYISDSA-N 489.539 2.151 30 10 JEEE CC(C)C(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCOCC2)C1 1760842181 DZERKXFLLRBIBE-HXUWFJFHSA-N 466.586 2.347 30 10 JEEE C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCCC1(F)F 1761362685 GQCXBQHLNKVMJU-BZUAXINKSA-N 460.551 2.175 30 10 JEEE CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2cccc(C(F)(F)F)n2)CCOC1 1765921393 DRUQGIMWJAPHIE-KXBFYZLASA-N 452.437 2.121 30 10 JEEE CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCS(=O)(=O)C2)C1 1766183593 DYZJGPGQTKPCOS-PZJWPPBQSA-N 484.626 2.384 30 10 JEEE COc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H](c1ccco1)N(C)C 1768980420 DIFZRWKKNKOKFA-ROUUACIJSA-N 452.515 2.490 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@@H]2c2ccc(C(=O)O)cc2)cc1C 1862407497 POJOMFOAWRJTIW-HXUWFJFHSA-N 452.463 2.416 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCNC(C)=O)[C@@H]2c2ccc(C(=O)O)cc2)cc1OC 1862572953 QBDCBGGPPYGCDT-HXUWFJFHSA-N 468.462 2.116 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCNC(C)=O)[C@H]2c2cc(OC)c(O)c(OC)c2)cc1 1862695354 DGSOUGLDQMYXQT-FQEVSTJZSA-N 470.478 2.132 30 10 JEEE O=C(C1=C(O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccc2c(c1)OCCO2)c1ccc([N+](=O)[O-])cc1 1862756747 QZLWBKDVYDGWSO-QFIPXVFZSA-N 495.488 2.277 30 10 JEEE N#Cc1nnn(Cc2cc(Cl)cc3c2OCOC3)c1NS(=O)(=O)c1ccccc1[N+](=O)[O-] 1870097825 YTFIFLYCIGUFJL-UHFFFAOYSA-N 476.858 2.427 30 10 JEEE COC(=O)c1ccc(/C=N/n2c(CCc3ccc(OC)c(OC)c3)nnc2SCC(N)=O)cc1 1874219226 AWFHPRLCGVMTKX-DHRITJCHSA-N 483.550 2.327 30 10 JEEE CN1CCN(CC#CCOC2CCN(C(=O)c3ccc(=O)n(Cc4ccccc4Cl)c3)CC2)CC1 1889617651 KNWOFGDOUUAXHU-UHFFFAOYSA-N 497.039 2.422 30 10 JEEE CC(C)N1C(=O)CS[C@H](C(=O)N2CC[C@H](Oc3ncccn3)C2)[C@@H]1c1ccc(C#N)cc1 1891291322 UKSROAVGLCYZHJ-JBACZVJFSA-N 451.552 2.422 30 10 JEEE C=CCC1(NC(=O)[C@@]2(O)CCN(C(=O)OC(C)(C)C)C[C@H]2O)CCN(C(=O)OC(C)(C)C)CC1 2197427210 LUPUVYWEOUZFIR-MZNJEOGPSA-N 483.606 2.181 30 10 JEEE CC(C)(C)OC(=O)N1Cc2nncn2C[C@@H]1C(=O)N1CCC(B2OC(C)(C)C(C)(C)O2)CC1 2239525565 NONHFQFMEOOWIX-MRXNPFEDSA-N 461.372 2.482 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(Cl)s2)C1 2255840392 MFMREJXDZCQNGD-OLZOCXBDSA-N 472.800 2.411 30 10 JEEE CN(CCNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1)C(=O)OC(C)(C)C 2255932761 GAWJDWPDCMJJQI-UHFFFAOYSA-N 458.361 2.270 30 10 JEEE CC(C)(C)OC(=O)N[C@@]1(C(=O)O)CCN(C(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2266993166 XWUMYOCNDSXEPU-NRFANRHFSA-N 466.365 2.241 30 10 JEEE CON(C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C1CCN(C(=O)OC(C)(C)C)CC1 2267092726 PCWYQQOLCUYWHV-UHFFFAOYSA-N 450.345 2.112 30 10 JEEE CC1(C)OB(c2ccsc2S(=O)(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)OC1(C)C 2267372635 QZZHRNQEWFUJBK-SFHVURJKSA-N 478.445 2.227 30 10 JEEE C[C@H]1C[C@H](NC(=O)C(F)(F)F)CN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2267373758 HXNFDOARVPQQCG-RYUDHWBXSA-N 482.355 2.125 30 10 JEEE C[C@@H]1CCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C[C@H]1NC(=O)C(F)(F)F 2267412475 NMGDJIGDMMOLHY-DGCLKSJQSA-N 482.355 2.125 30 10 JEEE Cc1nc(C(=O)NC[C@]2(NC(=O)OC(C)(C)C)CCOC2)c(B2OC(C)(C)C(C)(C)O2)s1 2267485101 DJMMUSTULBBHGO-OAQYLSRUSA-N 467.397 2.164 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(C)[C@H](C)CN(C)C(=O)OC(C)(C)C 2267524036 JYQFXUBZLHNEMQ-CQSZACIVSA-N 450.389 2.355 30 10 JEEE Cc1cc(C(=O)N[C@]2(CO)CCN(C(=O)OC(C)(C)C)C2)sc1B1OC(C)(C)C(C)(C)O1 2267603664 GQOFEIQZWFFLSY-JOCHJYFZSA-N 466.409 2.457 30 10 JEEE C=C(CS(=O)(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1CO)B1OC(C)(C)C(C)(C)O1 2267724737 OFCIXGORRJRXTL-SJORKVTESA-N 474.429 2.101 30 10 JEEE CC(C)(C)OC(=O)NC/C=C\CNS(=O)(=O)Cc1ccccc1B1OC(C)(C)C(C)(C)O1 2268401679 AIVXSJFMJYWSIU-KHPPLWFESA-N 466.409 2.486 30 10 JEEE CN(Cc1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(=O)[C@H]1C[C@H](O)CN1C(=O)OC(C)(C)C 2268642728 UXDLOMLVOLUELY-DOTOQJQBSA-N 466.409 2.376 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1[C@@H](C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)C1(F)F 2268720275 SBPMADSZVMUJNJ-OLZOCXBDSA-N 473.351 2.465 30 10 JEEE COCC1(NC(=O)c2c(F)cccc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2281783654 NPBVIFSSYBAWPW-UHFFFAOYSA-N 464.343 2.491 30 10 JEEE CC(C)(C)OC(=O)N1CC([C@H]2CCCN(C(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)C2)C1 2281930445 LUUKALUUDQUHPG-HNNXBMFYSA-N 460.384 2.428 30 10 JEEE Cc1ccnc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c1B1OC(C)(C)C(C)(C)O1 2281994062 KFCLFSKNMABGPS-INIZCTEOSA-N 456.352 2.274 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H](CNC(=O)OC(C)(C)C)[C@@H](C)C1 2282005570 QEMMPVNBLSLJCH-HOCLYGCPSA-N 462.400 2.261 30 10 JEEE CC(C)(C)OC(=O)NCCC1(O)CCN(C(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)CC1 2282024793 GBJLCGOBCPCVRW-UHFFFAOYSA-N 481.424 2.324 30 10 JEEE CN(C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1F)[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2282040201 GFNGLWHCJACGOA-HWWDLCQESA-N 461.343 2.457 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C 2282050731 CYUKHLJXCGVDIG-HOCLYGCPSA-N 462.400 2.389 30 10 JEEE CC(C)(C)OC(=O)NC1(CO)CCN(C(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)CC1 2282180033 XTASGVJHMXRKHI-UHFFFAOYSA-N 460.380 2.478 30 10 JEEE C[C@H]1[C@H](NC(=O)C(F)(F)F)CCCN1S(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2282346568 WVEILYOZRYACSJ-XJKSGUPXSA-N 476.326 2.206 30 10 JEEE CC(C)(C)OC(=O)N1CC(CCO)(NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2282396218 WSLUYSATVWGZNV-UHFFFAOYSA-N 464.343 2.227 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2cccc(F)c2B2OC(C)(C)C(C)(C)O2)[C@H](O)C1 2282412823 VNPNXJSJHNOEFN-DLBZAZTESA-N 464.343 2.225 30 10 JEEE COC[C@]1(NC(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)CCN(C(=O)OC(C)(C)C)C1 2282519527 LVJXKTPRDYDOEF-QHCPKHFHSA-N 461.368 2.137 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@H]1CN(CCO)C(=O)c1occc1B1OC(C)(C)C(C)(C)O1 2282537361 PDTGQHVOZTVGHV-INIZCTEOSA-N 464.368 2.413 30 10 JEEE CC[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2282553811 UQWKAZZLQMFQAD-CVEARBPZSA-N 462.400 2.485 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCC[C@@H]3[C@H]2CCN3C(=O)OC(C)(C)C)n1 2282555487 UGBXKJBYQYEYQJ-IAGOWNOFSA-N 460.384 2.333 30 10 JEEE Cn1cc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CCC2(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2282578715 VNASWLBVUJPJDC-MRXNPFEDSA-N 462.400 2.485 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]3C[C@H]23)n1 2282592947 KFQWLBPPUHFOJZ-DJIMGWMZSA-N 460.384 2.330 30 10 JEEE Cc1cc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2O)ccc1B1OC(C)(C)C(C)(C)O1 2282694494 HDNRVXRJZGAVBO-RBUKOAKNSA-N 460.380 2.394 30 10 JEEE CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1cc(B2OC(C)(C)C(C)(C)O2)cs1 2283966851 XOUAQBPCQJMFCW-INIZCTEOSA-N 482.408 2.462 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1C(=O)N1CCc2cc(B3OC(C)(C)C(C)(C)O3)ccc21 2283974009 WXIMTOVJBNFTOJ-ZWKOTPCHSA-N 458.364 2.415 30 10 JEEE CC(C)(C)OC(=O)N1CCOC(C)(C)[C@H]1C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2284135359 OTPLJUKUOHLIIH-OAHLLOKOSA-N 481.424 2.473 30 10 JEEE Cc1nn(C)c(C(=O)N2C[C@H]3C[C@@]3(CNC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2288261026 NTWLIJZZRPXGCA-IQMFZBJNSA-N 460.384 2.015 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@H](CCC(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C1 2294991067 HRPMQYRNVWCQSQ-OAHLLOKOSA-N 481.424 2.475 30 10 JEEE COC(CN=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)OC 2297472112 XWFDREYZNGAQBP-FWYWNTHFSA-N 491.625 2.389 30 10 JEEE Cc1c(C=C2SC(=S)N(C[C@H]3CCCO3)C2=O)c(N2CCSCC2)n(C)c(=O)c1C#N 2314435844 VBCNXJVLFKVJPW-CQSZACIVSA-N 476.649 2.499 30 10 JEEE COc1ccc(NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)O)cc1B1OC(C)(C)C(C)(C)O1 2339735022 DAPVYIMZCQVLFP-SUMWQHHRSA-N 450.341 2.207 30 10 JEEE Cc1ccc(S(=O)(=O)/N=C(/CN2CCCC2)N2CCN(S(=O)(=O)c3ccccc3)C2)cc1 59074410 NNPCHOWIIAOACL-FCQUAONHSA-N 476.624 2.142 30 10 JEEE CCSc1nnc(NC(=O)CSc2n[nH]c(N/N=C/c3c(C)nn(C)c3C)n2)s1 59309960 PZDWKKZAZSSIIK-OMCISZLKSA-N 452.595 2.295 30 10 JEEE N#Cc1ccccc1S(=O)(=O)N1CCN(S(=O)(=O)Cc2cccc(C(F)(F)F)c2)CC1 507502778 LAUDXKIMPKFRBA-UHFFFAOYSA-N 473.498 2.413 30 10 JEEE COc1ccc(/C=C/C(=O)[C@@H]2CNCC[C@H]2NC(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)cc1OC 585830844 HCPOYSPACCFXLU-VANLOKJYSA-N 491.544 2.065 30 10 JEEE C#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1C[C@@H](OC)[C@H](C(=O)O)C1 757459882 QTWPHCRMWJOFFZ-AKIFATBCSA-N 462.502 2.475 30 10 JEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CN1C(=O)N[C@@](C)(c2ccc(F)c(Cl)c2)C1=O 1130625801 DQNMRVBACIKUQL-NRFANRHFSA-N 451.882 2.050 30 10 JEEE C=CC[C@@H]1CCCC[C@@H]1NCC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 1171921105 SIORCVAJEOBVQU-XLIONFOSSA-N 450.561 2.152 30 10 JEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(=O)Nc2ccc(F)cc2)CC1 1286342443 QLQZSWLRHKZRIY-MRXNPFEDSA-N 491.593 2.231 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1CCc1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1286383202 LQCLZYXJIRLYOS-IBGZPJMESA-N 499.593 2.437 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1cc(C)cc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1286393609 LOCNTUNVKLKLFS-VQTJNVASSA-N 458.584 2.164 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(c2ccccc2OC)CC1 1286419708 DCASNYXKWQCJPB-SFHVURJKSA-N 455.584 2.092 30 10 JEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1Cc1ccc(CN2CCCC2=O)cc1 1286432272 CXDFPWIMODIYDV-UHFFFAOYSA-N 458.566 2.034 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCCCOCC)CC1 1286490852 UVIWBXDTXQUWHH-UHFFFAOYSA-N 477.569 2.376 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CCCN2C[C@@H](C)O[C@H](C)C2)CC1 1286492759 AAMPZTACYHHTQY-RTBURBONSA-N 499.685 2.099 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CCOC)[C@@H](C)C1 1286562620 LPBFMIJUPYMRGU-WIYBCGNWSA-N 463.623 2.140 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC(CO)CC1 1286814909 HUSFCHCFJKSKLL-UHFFFAOYSA-N 456.515 2.356 30 10 JEEE CCCn1nc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCN(C)C(C)C)c2ccccc2c1=O 1294770371 FAXMLSYEXBNSIZ-SFHVURJKSA-N 464.574 2.134 30 10 JEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H](C)c1cccc(N2CCOC2=O)c1 1300381421 RBOHBJVSJDOYHO-SJORKVTESA-N 474.587 2.456 30 10 JEEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1300382619 XBHOHKIMAPRGFD-UHFFFAOYSA-N 454.623 2.282 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1cccnc1OCC)[C@H]1CCS(=O)(=O)C1 1300483287 KJEBLKFOCFKWHH-FQEVSTJZSA-N 496.549 2.322 30 10 JEEE C#CCN(c1nnc(-c2cccc(Br)c2)n1CC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1300484942 VCHUBAPTHSGPHW-INIZCTEOSA-N 467.389 2.105 30 10 JEEE C#CCN(c1nnc(CN2CCCC2=O)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1)[C@H]1CCS(=O)(=O)C1 1300500739 CPSPJMFRVCTGEP-ZACQAIPSSA-N 487.548 2.321 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1300521056 RTGFJXTXTABRTP-IFMALSPDSA-N 467.595 2.231 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNC(=O)C(C)(C)C 1300648214 AQFZAKUDKJUPGY-GOSISDBHSA-N 475.590 2.121 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccccc2F)CC1 1300731269 MFHRYXMHBOXDID-UHFFFAOYSA-N 480.569 2.423 30 10 JEEE C=C(Br)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2ncc(F)cn2)CC1 1300857933 HHQAWLSKIWWRFF-UHFFFAOYSA-N 476.358 2.304 30 10 JEEE C=C(Br)Cn1c(COc2ccccc2OC)nnc1N1CCN(C(=O)NC)CC1 1300861373 HQNNEHBIRRWGFO-UHFFFAOYSA-N 465.352 2.236 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(C)(C)C)CC1 1300884723 LYRIPSJTBBEXEQ-AQNXPRMDSA-N 465.664 2.472 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CCCCO3)n2CCNS(=O)(=O)Cc2ccon2)CC1 1301126325 TYFDZBSKPXVNMB-SFHVURJKSA-N 450.565 2.030 30 10 JEEE C=CCC(C)(C)Cn1c(N2CCN3C(=O)N(CC)C(=O)[C@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1301158976 RJRZPFQIPPMUAH-KOSHJBKYSA-N 474.606 2.394 30 10 JEEE C=CCCOCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1301252954 SXQFRZWYKVUMSM-INIZCTEOSA-N 472.571 2.200 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCCN(C(C)=O)CC1 1301482792 CBRDGYACIWEYHQ-UHFFFAOYSA-N 479.354 2.208 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1301515341 SKAOUJQDQABZJK-OAQYLSRUSA-N 489.584 2.156 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 1301585907 GZFRAKCMLUTMQT-IBGZPJMESA-N 490.630 2.310 30 10 JEEE CC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1)NC(=O)OC(C)(C)C 1305813587 GWKBPLFVPNDNLR-MOPGFXCFSA-N 480.573 2.334 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCOc1ncccc1Cl)[C@@H]1CCS(=O)(=O)C1 1358961570 BKOWKROPASDEGD-AEFFLSMTSA-N 479.990 2.274 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1Cc1cccn(CC)c1=O)[C@@H]1CCS(=O)(=O)C1 1358965731 AEJMKMYRLAIUDN-OAQYLSRUSA-N 495.605 2.022 30 10 JEEE C#CCN(CCOC)c1nnc(Cc2ccc(F)cc2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1359025095 COLDAVGAHRTVKD-LJQANCHMSA-N 469.483 2.357 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CC[C@H]2C[C@H](C)N(Cc3ccccc3)C2)CC1 1359028510 VBAWABWDDBJOJF-UPVQGACJSA-N 477.657 2.472 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3CC)n2CC2CCN(C(C)=O)CC2)CC1 1359039096 WXDLMPNDNZGZNU-UHFFFAOYSA-N 464.614 2.433 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCCc2ccc(OC)cc2)CC1 1359040553 ZXPQXWNLMYDBSL-GMAHTHKFSA-N 453.587 2.399 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2C[C@@H]2CCOC[C@@H]2OC)CC1 1359043467 VBBUHZMIHWJWAA-UNMCSNQZSA-N 451.571 2.271 30 10 JEEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1359062933 YOCCMVKWVPOYDX-IRXDYDNUSA-N 489.564 2.263 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1359099831 TYOWTMCWTAQNGI-ZJOUEHCJSA-N 451.637 2.462 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1359187732 VNOXUQBOUSRWRF-GOSISDBHSA-N 467.574 2.373 30 10 JEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 1359207991 CGFGZGUAOLAIRM-ROUUACIJSA-N 475.619 2.413 30 10 JEEE C#Cc1cccc(NC(=O)CNC(=O)Nc2ccc(S(=O)(=O)NCC(F)(F)F)cc2)c1 1465679210 QIOQRXKJJBSAFJ-UHFFFAOYSA-N 454.430 2.269 30 10 JEEE N#Cc1ccc(CN2CC[C@H](NC(=O)N[C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2=O)cc1 1478419751 CAOQAIUUBIOMCY-YADHBBJMSA-N 456.506 2.026 30 10 JEEE Cc1nn(C)c(C)c1CN(C)c1nnc(-c2ccc(C#N)cc2)n1CC(=O)NCC(F)(F)F 1492716999 GRNLLGXFFMEZEE-UHFFFAOYSA-N 460.464 2.482 30 10 JEEE CC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCc2cnn(C)n2)C[C@H](C)O1 1499780783 CXKZMGCRKHBVTH-FXAWDEMLSA-N 450.547 2.494 30 10 JEEE COc1ccccc1-c1nnc(N(C)[C@@H](C)CC#N)n1CCS(=O)(=O)N1CCSCC1 1504370668 HOJGKUZWAXWCQU-INIZCTEOSA-N 464.617 2.071 30 10 JEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 1507968110 QCHMGIMWKNBDQL-PZJWPPBQSA-N 493.674 2.248 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(OC)cc1)C1CC1 1507993568 RWMAXNSVLHKQPT-FQEVSTJZSA-N 461.588 2.017 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(CO)(Cc2ccccc2)CC1 1508087691 DGEIDFMTQSZEMI-OAQYLSRUSA-N 453.587 2.296 30 10 JEEE CC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cnn(C)c2)CCN1CCOC 1514176351 AYEYWHUJZKPJLJ-OAQYLSRUSA-N 464.574 2.058 30 10 JEEE Cn1nncc1Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@](F)(C#N)C1 1517425291 HWUHIDIIQRTJHM-NRFANRHFSA-N 459.530 2.011 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1cn(C2COC2)nn1 1539016471 YQTBXGJILBUMGL-IAGOWNOFSA-N 470.578 2.062 30 10 JEEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@H]1CCOC[C@@H]1OC 1539025176 FWPHBHJBGGHPBO-ZDXQCDESSA-N 466.630 2.152 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1CCCS(=O)(=O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1539202961 MFOKWQKDODVNTJ-SFHVURJKSA-N 478.640 2.066 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCC(=O)Nc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1539226220 VOPQANKGGXBXHW-HXUWFJFHSA-N 498.634 2.289 30 10 JEEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCNC(=O)c1ccc(C)c(F)c1 1539237686 IRNMZUZCIJZLQQ-VWLOTQADSA-N 467.545 2.269 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC(F)F)c(OCC)c1 1539266150 MNGMSUCKGRELLA-QGZVFWFLSA-N 478.521 2.301 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(=O)N[C@@H](C)CC)c1 1539323167 DJNBDJMSAHNFAS-UGKGYDQZSA-N 481.622 2.220 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H](CC)NC(=O)OC(C)(C)C)CC1 1539431532 UYVVWFWJSMCRTQ-NLFFAJNJSA-N 490.649 2.377 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@]2(C)COCCO2)CC1 1539437480 BNVKVBWBWDHMKJ-NRFANRHFSA-N 460.376 2.268 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCc2nc(C)c(C)s2)CC1 1539481661 MXGXLUWPZCCPNJ-IBGZPJMESA-N 456.616 2.454 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCOc2ccccc2C)CC1 1539489353 LOPAQOFGHCNYQC-GMAHTHKFSA-N 481.597 2.355 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(CCOC)C(=O)C1 1539622668 IASSPDPIDBBXNC-WMZHIEFXSA-N 485.585 2.239 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(CCC(N)=O)CC1 1539644268 GIDPCMRCZHGPDL-MPJJRAAHSA-N 461.607 2.465 30 10 JEEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H](CN2CCOCC2)C1 1539985623 MDKYUQISQFBVJV-LJQANCHMSA-N 459.616 2.473 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C)ccc1OC(F)F 1540072088 JIWCGYVCRXDYMV-KRWDZBQOSA-N 471.530 2.191 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCCO2)n1C[C@@]1(O)CCS(=O)(=O)C1 1540128586 NLDWYNBZGUUTJV-OFNKIYASSA-N 471.583 2.134 30 10 JEEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1540873563 CAJQLGPBURBBJU-UHFFFAOYSA-N 454.550 2.415 30 10 JEEE C#CCN(C(=O)c1nc2ncc(CCO)cn2n1)[C@@H]1CCOc2ccc(Br)cc21 1543685411 GNKMOVIJHXVUJI-MRXNPFEDSA-N 456.300 2.021 30 10 JEEE COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCC2(CCCCC2)O1 1555557799 CXAUEXRHOWWXNH-MOPGFXCFSA-N 465.620 2.429 30 10 JEEE C#CCn1ccc(CN(CC)S(=O)(=O)c2ccc(CCCNC(=O)C(F)(F)F)cc2)n1 1561531914 VFXHTOATQYRTLC-UHFFFAOYSA-N 456.490 2.338 30 10 JEEE C=CCn1ncc2ccc(NC(=O)N3CCN(c4ccccc4S(=O)(=O)NC)CC3)cc21 1563315320 ISHQIEJOOJLJFZ-UHFFFAOYSA-N 454.556 2.485 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC(C)(C)c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1588024828 NIASUXOWNCCAHA-IBGZPJMESA-N 475.590 2.160 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@]1(O)CCCC1(C)C 1588595374 RPPPZCPETXDSNH-DEOSSOPVSA-N 489.642 2.223 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2Cc2cc(F)ccc2OC)CC1 1588947893 YBGMWQZWBOKJEJ-UHFFFAOYSA-N 462.529 2.426 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCC(=O)NC1CC1 1589171401 DWDIMJWXUYGFAN-HSZRJFAPSA-N 455.584 2.400 30 10 JEEE C=CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCN2CCC[C@H]2C(=O)N(C)C)CC1 1594182190 UTKMUUJMZDSUOZ-FQEVSTJZSA-N 480.617 2.271 30 10 JEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](CCc2ccccc2)C1 1594733229 PGFLFPYLYXUTOH-YADHBBJMSA-N 489.642 2.415 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC(n2c(O)nc3ccccc32)CC1 1595467000 OXNJOELEWSEWKF-UHFFFAOYSA-N 494.600 2.396 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1595772513 BDWVSSPMINCORD-UHFFFAOYSA-N 486.642 2.446 30 10 JEEE CCCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1614987446 AVSATWWFOHYEKX-UHFFFAOYSA-N 479.564 2.003 30 10 JEEE N#Cc1cccc(-c2ccnc(N[C@@H]3CO[C@@H]4[C@@H](NC(=O)c5ccc6c(c5)OCO6)CO[C@@H]34)n2)c1 1616133414 UKDFHKHNOGMMRR-CSGUBPAMSA-N 471.473 2.121 30 10 JEEE N#Cc1ccc(OCc2nnc(N3CCNC(=O)C3)n2Cc2nc(C(F)(F)F)cs2)cc1 1620351732 FDMRXFZLMUUFDR-UHFFFAOYSA-N 463.445 2.189 30 10 JEEE C#CCn1ccc(CN(CCOC)C(=O)C2=NO[C@]3(CCCN(C(=O)OC(C)(C)C)C3)C2)n1 1626713558 KNFUWQFAGJXHFP-HSZRJFAPSA-N 459.547 2.037 30 10 JEEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc2c(c1)N(C)C(=O)CO2 1628490534 CQDGMBGCIXWIFW-MRXNPFEDSA-N 456.524 2.278 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1ccnc(OC(F)F)c1)[C@H]1CCS(=O)(=O)C1 1689986838 XUUGSGMNNXUYLH-KRWDZBQOSA-N 474.493 2.012 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1cccc(C(C)(C)O)c1)[C@@H]1CCS(=O)(=O)C1 1689990394 NUZUNUUDERRRDD-PZJWPPBQSA-N 472.611 2.075 30 10 JEEE C#CCN(c1nnc(CCOc2ccccc2)n1C[C@H]1CCCCN1CC)[C@H]1CCS(=O)(=O)C1 1689993812 MAKHPXCJCDWYEK-YADHBBJMSA-N 485.654 2.401 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@H]1CCOC1 1690101088 NSZDWHXSZKACDV-GOSISDBHSA-N 450.543 2.188 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CC2(N(C)C)CCOCC2)CC1 1690132196 KUARMXJBKTYWQQ-UHFFFAOYSA-N 466.630 2.340 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2Cc2cnccc2OC)CC1 1690150323 CVFJOZKJEPETLR-UHFFFAOYSA-N 465.583 2.052 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCC(F)(F)C2)CC1 1690411182 HEDJUXDTMRUQBI-IAGOWNOFSA-N 459.563 2.449 30 10 JEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](O)(c2ccccc2F)C1 1690464926 NHMNGMCZABKXFY-REWPJTCUSA-N 493.605 2.204 30 10 JEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2ccccc2)C1 1690485484 UUYIRSNYZUHKLI-VQTJNVASSA-N 461.588 2.155 30 10 JEEE C=CCN(c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@@]1(O)CCS(=O)(=O)C1)C1CC1 1690537786 SWHYEOZJGDRVDP-VFNWGFHPSA-N 450.536 2.262 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccn2C)n1C[C@]1(O)CCS(=O)(=O)C1 1690569380 GYKNDBPYTJVOPL-JOCHJYFZSA-N 459.547 2.165 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1690672950 IXDUCEUHEPDQFB-UHFFFAOYSA-N 480.598 2.186 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2C[C@@H](F)COC)C1 1690696927 LVWZUUJONRLALI-HZPDHXFCSA-N 452.556 2.004 30 10 JEEE CC(C)CCN(CCC#N)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1692346418 DPRPMPJJYOBDDB-DEOSSOPVSA-N 497.625 2.447 30 10 JEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 1705532204 IRBWCVABPMLWHE-MOPGFXCFSA-N 470.599 2.152 30 10 JEEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1705539868 GAXWKFGJRQFJLU-NJDAHSKKSA-N 456.635 2.353 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1CCSCC=C)[C@H]1CCS(=O)(=O)C1 1705562590 GBPBNFYPNJIMHR-SFHVURJKSA-N 474.608 2.262 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1ccc(OCC)cc1)[C@H]1CCS(=O)(=O)C1 1705570052 JXYXJNAVMOQBDM-NRFANRHFSA-N 465.579 2.338 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1CC1)[C@@H]1CCS(=O)(=O)C1 1705571725 GRVVNCIZMKXAOS-MSOLQXFVSA-N 463.604 2.387 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@]1(O)CCC[C@@H]1C 1705621970 TXXDDZGFOQGZFM-SBUREZEXSA-N 459.978 2.499 30 10 JEEE C#CCN(CCOC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1CN(C(=O)OC(C)(C)C)C1 1705622597 MXHFZRRUAOBYKG-XMMPIXPASA-N 477.606 2.272 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](c1ccc(C)cc1)N1CCCC1 1705627445 HCEYDBJPAPMEQJ-VXKWHMMOSA-N 450.587 2.461 30 10 JEEE C=C(Cl)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@@H](OCCOC)C1 1705752522 YUUHRYTWNVRLLC-OAHLLOKOSA-N 454.984 2.232 30 10 JEEE C=CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](C(=O)OC)C1)c1ccccc1 1705795492 LAYXFSBSOCUNQW-UHOSZYNNSA-N 461.588 2.248 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1705897993 YNKYRLCSXBJUHA-MHECFPHRSA-N 468.558 2.368 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(C(=O)c2cccc(Cl)c2)CC1 1705905642 BVIGZFMQAMHAEM-UHFFFAOYSA-N 479.972 2.182 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1705908753 VMBBZVVINASHNT-UHFFFAOYSA-N 472.565 2.382 30 10 JEEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CCN1CCOC(C)(C)C1 1722329483 GWWVGGPICWNRLB-UHFFFAOYSA-N 463.586 2.152 30 10 JEEE C#CCN(c1nnc(-c2cccc3cccnc23)n1CCCCCO)[C@H]1CCS(=O)(=O)C1 1722364268 YONXREBTCWCJKX-IBGZPJMESA-N 453.568 2.283 30 10 JEEE C#CCN(c1nnc(CCOc2ccccc2)n1C[C@@H]1CCCS1)[C@H]1CCS(=O)(=O)C1 1722371758 LHQFCNURJRXHPB-ICSRJNTNSA-N 460.625 2.422 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC(C)C 1722422915 WCKAVTIBTVQEER-HXUWFJFHSA-N 463.579 2.436 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@](C)(O)c2cccs2)CC1 1722446926 BNVJNUULOCJTDA-WZONZLPQSA-N 457.600 2.107 30 10 JEEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(c2cnccn2)CC1 1722455843 XJYAIYJXWGGIGG-UHFFFAOYSA-N 465.583 2.445 30 10 JEEE C=C(Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1)c1ccccc1 1722537888 HCMSSRVOXIRVCZ-IBGZPJMESA-N 474.631 2.238 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCCC(F)(F)C1 1722680970 DWXIKWWKHDETKC-ROUUACIJSA-N 491.605 2.465 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(C2CCOCC2)CC1 1722688304 AVFJZHZCRMINOJ-GOSISDBHSA-N 472.565 2.160 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN([C@@H](C)c2nc(CC)no2)CC1 1722695767 PFZYWGIOXNCOFW-HNNXBMFYSA-N 485.980 2.124 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1722701816 FTRRDJWDUWXZPT-QGZVFWFLSA-N 494.518 2.281 30 10 JEEE CNC(=O)CC1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2([S@](C)=O)CCC2)CC1 1729692158 GHPDFLQXRRYDRD-YTTGMZPUSA-N 454.600 2.470 30 10 JEEE CO[C@H](C)Cn1c(Cc2ccccc2F)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1729834801 CCQGAMCKZHBGGL-MRXNPFEDSA-N 452.538 2.283 30 10 JEEE COc1cc(OC)cc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@H]2CCCCS2(=O)=O)c1 1730016194 FRWGTXPRXNJKEZ-GHTZIAJQSA-N 463.535 2.372 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CCc1ccsc1)[C@@H]1CCS(=O)(=O)C1 1740616903 IRGNRGXLAMGZRI-KNQAVFIVSA-N 478.640 2.250 30 10 JEEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCCSC1)[C@H]1CCS(=O)(=O)C1 1740625409 QKHDXEQHGZSLTB-SJORKVTESA-N 493.680 2.040 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CC(=O)N(CCOC)C1 1740660732 AZVOCCNKCZIUFK-PCCBWWKXSA-N 498.628 2.007 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCCN1CC 1740685908 NGILRTDSOCLFBW-PMACEKPBSA-N 476.622 2.157 30 10 JEEE C#CCSCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1740718431 OICDJIRSZJVVCQ-QRVBRYPASA-N 488.658 2.474 30 10 JEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCCN(C(=O)c2ccccc2)CC1 1740720235 SYJJVPRZBHNGSS-UHFFFAOYSA-N 466.611 2.119 30 10 JEEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1740880904 QKUUYHGFGQSYCU-UHFFFAOYSA-N 467.549 2.444 30 10 JEEE C=CCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1740882756 WYDNZJGBHLRXHC-HXUWFJFHSA-N 463.542 2.176 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCOCC2(CC2)C1)C(C)C 1740926583 IFGSFAHKHBFEEP-LEWJYISDSA-N 477.675 2.496 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](c2ccc(CC)cc2)C1 1740951971 QVFGBQSLDZWRFT-HXUWFJFHSA-N 475.553 2.368 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@H]1C(C)C 1740953295 AYZZYHFYSYIDKT-IBGZPJMESA-N 460.604 2.122 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1740955636 ARQJTQRTFPZCTQ-IBGZPJMESA-N 464.574 2.381 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 1740960334 PKSNYYMYTWEGQF-SFHVURJKSA-N 462.595 2.215 30 10 JEEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)c2ccco2)CC1 1740995941 BTTDTSHOEBGWPT-UHFFFAOYSA-N 467.555 2.400 30 10 JEEE CCO[C@@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCc2cccc(C(=O)N(C)C)c2)CCOC1 1746695523 GWHUADVAFIYYOV-ZEQRLZLVSA-N 470.549 2.317 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCCc1ccccc1F)[C@H]1CCS(=O)(=O)C1 1748803518 ZVYTYLKHUDQQBZ-IBGZPJMESA-N 496.568 2.324 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@](C)(O)CCC)[C@@H]1CCS(=O)(=O)C1 1748808888 HXJRPPWDUQCFEW-WZONZLPQSA-N 476.599 2.140 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(F)cn1 1748858587 QEGSRGYTEIXZPK-LJQANCHMSA-N 454.506 2.242 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2nc3c(s2)C[C@H](C)CC3)CC1 1749001075 HBLXGDMSBQRHOI-MRXNPFEDSA-N 483.642 2.012 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCC(C)CC2)CC1 1749038224 IUBJCSUUHUXTIY-IOJLRTSASA-N 465.689 2.247 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1749115248 OFKWTZXQQDARHI-ZVDOUQERSA-N 460.623 2.087 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2c(c1)COCC2 1749159766 YEFWIFDTNXHVFB-NRFANRHFSA-N 475.615 2.134 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c(-c2noc3c2COCC3)nnc1N1CC(=O)N(C)C[C@H]1C)C(C)C 1749558144 QOFXLDYGYSZJOK-QUCCMNQESA-N 483.617 2.371 30 10 JEEE C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CCN(C)Cc2ccccc2)CC1 1749604324 JIDMYLDYPMRBIV-UHFFFAOYSA-N 460.586 2.365 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1749650520 AGVGMFLJEGLLLR-IAGOWNOFSA-N 474.009 2.083 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1749660960 XCHFOWZRKDQSJA-AZUAARDMSA-N 491.596 2.163 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCc3c(F)cc(F)cc3C2)nnc1[C@]1(OCC)CCOC1 1749740785 YWZGIZIWGHVQRS-QFIPXVFZSA-N 482.553 2.372 30 10 JEEE CC(C)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCSC2)[C@H](C)C1=O 1750836592 HULPRVFLKKYSPG-UZUQRXQVSA-N 454.600 2.378 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CCc2nccnc2C)c1 1760124672 AGISWAGBSPBHMF-UHFFFAOYSA-N 455.526 2.076 30 10 JEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](c2ccc(OC)cc2)C1 1760136956 DGYOCHXYOGFTGY-IFMALSPDSA-N 487.626 2.417 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1ccc(OCC=C)cc1)[C@H]1CCS(=O)(=O)C1 1760188844 QKOQFJGCUNJCKD-SFTDATJTSA-N 470.595 2.412 30 10 JEEE C#CCN(c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCCC)[C@H]1CCS(=O)(=O)C1 1760192539 VLQPCJRXXNHOSG-QHCPKHFHSA-N 484.670 2.070 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCN1CCCCC1 1760213059 OJVKKTYGEIMEAF-UHFFFAOYSA-N 468.627 2.144 30 10 JEEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1CCOC[C@H]1C 1760249783 SXWNWDJEURVBAA-TZIWHRDSSA-N 453.591 2.211 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CC2(SC)CCN(C)CC2)CC1 1760268918 ZWSMRQQQJVHJOP-UHFFFAOYSA-N 467.643 2.133 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCCc2cc(OC)ccc2OC)CC1 1760269955 QHJGNZIEIQDPKK-NRFANRHFSA-N 481.597 2.398 30 10 JEEE C=C(C)COCCn1c(N2CC[C@@](C)(N3CCOCC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1760361576 NJLUYTQRZQLAIJ-RPWUZVMVSA-N 463.623 2.212 30 10 JEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(Cc2ccccc2)CC1 1760450346 JFJMNGOLQVQXAS-QFIPXVFZSA-N 473.643 2.485 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1760518931 MJAGZGFMQXRLHK-HXUWFJFHSA-N 493.656 2.379 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N(C)C1CCN(C(=O)c2ccccc2)CC1 1760524801 JXISQJBKWRBYGZ-UHFFFAOYSA-N 473.581 2.307 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC(C(=O)c3cccs3)CC2)nnc1[C@@]1(OCC)CCOC1 1760529080 WMZQEUOQRCZGEO-HSZRJFAPSA-N 473.599 2.393 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC[C@H](CN2CCC(C)CC2)C1 1760555548 HWPZCYHRJVDIRZ-RTWAWAEBSA-N 465.664 2.331 30 10 JEEE C=CCSCCn1c(Cc2ccsc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1760567533 FBNFRKNOSFITOF-UHFFFAOYSA-N 462.645 2.424 30 10 JEEE C[C@]1(C#N)CCCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1761542091 GSGOZQUCNUHKPX-RTWAWAEBSA-N 481.525 2.226 30 10 JEEE CC[C@H]1CCCCN1CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)NC)CC1 1763336442 IDTLFWQICPBRLN-NRFANRHFSA-N 480.617 2.455 30 10 JEEE C=CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H]1CC(=O)N(CCc2ccc(OC)c(OC)c2)C1 1861590872 WTOICURSVWBGRX-FCHUYYIVSA-N 479.577 2.125 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccccc2C(=O)O)cc1F 1862640679 RAMDDHXAWUEGTQ-OAQYLSRUSA-N 484.480 2.443 30 10 JEEE C=CCOc1ccccc1[C@@H]1C(C(=O)N(CCN)C(C)=O)=C(N)Oc2c1c(C)nn2CC(C)C 1865224790 QETSBZKCQPVXKA-NRFANRHFSA-N 467.570 2.441 30 10 JEEE CC(=O)Nc1ccc(NC(=O)[C@H](CO)NC(=O)C2CCN([C@H](C#N)c3cccs3)CC2)cc1 1866866050 CMFDRIOCQMMLSG-VQTJNVASSA-N 469.567 2.099 30 10 JEEE CSCC[C@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H](O)c1ccc(Cl)cc1 1869933359 DZEOIOBRVZOWTB-DLBZAZTESA-N 468.000 2.350 30 10 JEEE C=CCN(CC=C)c1nc(=NCCCN(CC)CC)nc(Nc2ccc(S(N)(=O)=O)cc2)[nH]1 1871509443 CKEZSLJLLGGPDB-UHFFFAOYSA-N 474.635 2.007 30 10 JEEE COc1ccc(OCCCc2nnc(SCC(N)=O)n2/N=C/c2ccc(O)c([N+](=O)[O-])c2)cc1 1874219748 BYKSXNXZFMSSRI-FSJBWODESA-N 486.510 2.372 30 10 JEEE CCN1CCN(CC#CCOC2CCN(C(=O)[C@@H]3CC(=O)N(c4ccc(C)c(C)c4)C3)CC2)CC1 1889552208 KYUPAGDCVBJPOB-XMMPIXPASA-N 480.653 2.305 30 10 JEEE C=CCNC(=O)c1nc(C(=O)NCCN=c2nc(Nc3ccc(OC)cc3)cc(C)[nH]2)cs1 1891356471 GFMPSQGCIWMONW-UHFFFAOYSA-N 467.555 2.173 30 10 JEEE C#CCO[C@H]1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(Oc3ccccc3OC)cc2)C1 1892109123 ZRTMYSYCWPKFBC-HKUYNNGSSA-N 458.536 2.405 30 10 JEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)CCN1Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2106596537 ILIJECUZASJAJI-UHFFFAOYSA-N 466.409 2.368 30 10 JEEE C[C@@H](C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)N1CC(NC(=O)OC(C)(C)C)C1 2188297985 HNGYQBZIUVPGCI-INIZCTEOSA-N 459.396 2.199 30 10 JEEE CC(C)(C)OC(=O)NC1(C(=O)NCc2cccc(B3OC(C)(C)C(C)(C)O3)c2)CC(CO)C1 2193992696 TVJGDFAQPWTVRZ-UHFFFAOYSA-N 460.380 2.268 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)[C@H](CO)C2)C1 2255203052 MAFCFKKPYJFGLL-LLUXXFGUSA-N 451.564 2.027 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(CCO)CCNC(=O)OC(C)(C)C)s1 2255857528 INBBYRKXBVFZAC-UHFFFAOYSA-N 454.398 2.315 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCOC[C@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2255876844 GIEGFRHYPCOUFJ-UONOGXRCSA-N 452.382 2.459 30 10 JEEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C 2256615153 RTFFCOYPRZBSBA-CQSZACIVSA-N 454.398 2.281 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](F)C[C@@H]1C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2256619894 BTUBIRAZKFUUGZ-TZMCWYRMSA-N 455.361 2.406 30 10 JEEE CC(C)(C)OC(=O)N1CC([S@](C)(=O)=NC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2267279773 LIAXPUJNBAEUFX-YTTGMZPUSA-N 465.381 2.238 30 10 JEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCCOCCNC(=O)OC(C)(C)C 2267707772 XPCDTKIMEBTCJT-UHFFFAOYSA-N 490.453 2.175 30 10 JEEE COCCOCCN(Cc1ccccc1)C(=O)c1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C 2281801800 HFMZASGJTGNKDN-UHFFFAOYSA-N 457.380 2.333 30 10 JEEE Cn1ncc(C(=O)N2CC[C@H]3[C@H](CCN3C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2281821899 GZCGEKKWSCASDD-WBVHZDCISA-N 460.384 2.191 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](C2CC(NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)C2)C1 2281993323 ZJQVZIKKNJDSAX-QQFBHYJXSA-N 460.384 2.474 30 10 JEEE Cc1c(B2OC(C)(C)C(C)(C)O2)cccc1C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H](O)C1 2282113348 OWOFGFVJEXFOKZ-QGZVFWFLSA-N 460.380 2.348 30 10 JEEE CC(C)(C)OC(=O)N1[C@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C[C@H]2OCC[C@H]21 2282194018 ULNXPYLKQVDSBM-CGTJXYLNSA-N 461.368 2.211 30 10 JEEE CC(C)(C)OC(=O)N1CCN(CCCNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)CC1 2282195798 RCTDEHHRRDJOFU-UHFFFAOYSA-N 463.384 2.251 30 10 JEEE CC1(C)OB(c2ccsc2S(=O)(=O)N2C[C@@H]3OCCN(Cc4ccccc4)[C@H]3C2)OC1(C)C 2282329383 LQJWWCGIIXSILT-PMACEKPBSA-N 490.456 2.321 30 10 JEEE COc1ccc(S(=O)(=O)N2CC(N(C)Cc3ccccc3)C2)cc1B1OC(C)(C)C(C)(C)O1 2282491038 JVWCVWQAKVFRDF-UHFFFAOYSA-N 472.416 2.499 30 10 JEEE CC1(C)OB(c2csnc2C(=O)NC[C@@]23CN(Cc4ccccc4)C[C@H]2CCO3)OC1(C)C 2282508942 DCAICCMIQMLAKR-HOYKHHGWSA-N 469.416 2.463 30 10 JEEE Cc1ccnc(C(=O)N2CC[C@H](C)[C@@H](NC(=O)C(F)(F)F)C2)c1B1OC(C)(C)C(C)(C)O1 2282566668 BXAVBHSSSPCPAN-JSGCOSHPSA-N 455.286 2.218 30 10 JEEE Cn1nc(C(=O)NC[C@@H]2C[C@@H](NC(=O)OC(C)(C)C)C2(C)C)cc1B1OC(C)(C)C(C)(C)O1 2282615533 ZPWVFQPEFYPXOD-GOEBONIOSA-N 462.400 2.389 30 10 JEEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)[C@H](C#N)C1 2282860109 VOWYCOHHBDHFSP-QGZVFWFLSA-N 477.392 2.119 30 10 JEEE CO[C@](C)(CNS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1)COCc1ccccc1 2282861985 XGEWELVHSBTWBE-HSZRJFAPSA-N 476.404 2.281 30 10 JEEE C[C@@H]1CN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C[C@@]1(C)CNC(=O)OC(C)(C)C 2283061764 QPUNEAFZSHONON-IQMFZBJNSA-N 460.384 2.399 30 10 JEEE CN1C[C@H](C(=O)Nc2ccccc2B2OC(C)(C)C(C)(C)O2)N(C(=O)OC(C)(C)C)CC1=O 2283978651 FFQRBVYFGMWFAL-QGZVFWFLSA-N 459.352 2.002 30 10 JEEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)C(=O)[C@@H]1COC[C@@H]1NC(=O)OC(C)(C)C 2284026909 GKNCYQRASBLNNA-MOPGFXCFSA-N 460.380 2.484 30 10 JEEE CN(CCNC(=O)OC(C)(C)C)CC(=O)N1CCc2cccc(B3OC(C)(C)C(C)(C)O3)c21 2284047508 IPHAGDOMXUOHOI-UHFFFAOYSA-N 459.396 2.331 30 10 JEEE COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)N[C@@H](COCc1ccccc1)C(=O)O 2284466838 SHHIFHMGUVECTC-IBGZPJMESA-N 455.316 2.394 30 10 JEEE COc1cc(C=Nn2cnnc2SCC(=O)OCC(C)C)ccc1OCCN1CCOCC1 2321320514 AWGXPAIOVUSSMZ-UHFFFAOYSA-N 477.587 2.171 30 10 JEEE CC1(C)OB(c2sncc2C(=O)NC[C@]23CN(Cc4ccccc4)C[C@H]2CCO3)OC1(C)C 2362576723 MWEYLRYZEMYEDQ-KOSHJBKYSA-N 469.416 2.463 30 10 JEEE COc1nc(N2CC[C@H](CO)[C@H](NC(=O)OC(C)(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2365346591 WEXLCXLQKCWGJD-NVXWUHKLSA-N 463.384 2.101 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)[C@@H](C)S(=O)(=O)CC(=O)Nc3ccc(F)cc3)cc21 19978376 IKIBODJEUSDAPF-CQSZACIVSA-N 460.483 2.362 30 10 JEEE O=C(NCC#Cc1ccc(N2CCNC2=O)cc1)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 96350944 UEOJLCAWZWJRTB-KRWDZBQOSA-N 481.350 2.500 30 10 JEEE C=CCn1c(SCCCn2c(=O)c3c(ncn3C)n(C)c2=O)nnc1-c1ccccc1F 195568986 KREKPTHJPJKITA-UHFFFAOYSA-N 455.519 2.200 30 10 JEEE O=C(N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc2c(c1)OCCO2)c1ccc2c(c1)OCO2 254678971 HCLFMJGZPOMOHH-AUUYWEPGSA-N 474.516 2.102 30 10 JEEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC(C(=O)N2CCCCC2)CC1 771608663 ZLEWBMQYJDSKPQ-HXUWFJFHSA-N 474.627 2.391 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CC1(N(C)C)CCCC1)[C@@H]1CCS(=O)(=O)C1 1286397042 RFIYZBAFHIIWBM-HXUWFJFHSA-N 489.617 2.497 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2Cc2csc(COC)n2)CC1 1286491349 NZUFKJIQBJSMQA-UHFFFAOYSA-N 494.621 2.495 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](CNC(C)=O)C1 1286550583 IUJXSUAVOFUTFD-VSKRKVRLSA-N 450.543 2.139 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)CCC(=O)NC 1286555086 JQQRVJOJSAGYOP-QRWLVFNGSA-N 451.531 2.147 30 10 JEEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCCN(CCC)C(=O)C1 1286604371 KJTHYXRUEYXJGQ-UHFFFAOYSA-N 475.615 2.390 30 10 JEEE C=C(C)COCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1286607099 KXHZORNJZRNBPE-FQEVSTJZSA-N 456.572 2.347 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCCCC2)CC1 1286609143 XNZPQBXBXJXGDW-LJQANCHMSA-N 451.637 2.228 30 10 JEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](COc2ccccc2)C1 1286701217 WTLBLXBZOUGEGK-CTNGQTDRSA-N 475.615 2.483 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(Cc3ccncc3)n2Cc2cccc(S(=O)(=O)NC)c2)C1 1286813200 XYWCXPPCUQORPG-FQEVSTJZSA-N 468.583 2.002 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@](C)(C(=O)NC)C1 1286816953 JIQMWLWKNUELJH-AOMKIAJQSA-N 479.578 2.120 30 10 JEEE CC[C@H](C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC(C)(C)N1CCOCC1 1291604483 DIKYARBDTGMQNK-IBGZPJMESA-N 452.607 2.496 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@H](C)c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1300485063 WJCCTPXIAJSGFO-VNZMSGEBSA-N 490.601 2.500 30 10 JEEE C#CCN(c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(C)(C)CC=C)[C@@H]1CCS(=O)(=O)C1 1300490953 CZSXLZWICRHEMF-GOSISDBHSA-N 494.621 2.421 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCCCO)[C@@H]1CCS(=O)(=O)C1 1300504766 RSDRTXZEQSUDIN-MOPGFXCFSA-N 495.646 2.139 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)Nc2ccccn2)n1CCN1CCOC[C@@H]1C 1300642101 NPYQAUTXZPAEPX-IBGZPJMESA-N 477.544 2.425 30 10 JEEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1300742709 SHYQIAAIQPZVEN-UHFFFAOYSA-N 472.640 2.433 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(F)(F)c2ccccc2)C1 1301538947 MIGDVWNZQYHSQB-DOTOQJQBSA-N 455.531 2.462 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 1301569021 NVOFZYCDSXNMDS-UHFFFAOYSA-N 463.579 2.033 30 10 JEEE Cc1nn(C)c(N2CCN(c3nnc(CC(C)C)n3CCNC(=O)c3ccccc3F)CC2)c1C#N 1304730504 GGIPLFJLKVRWKT-UHFFFAOYSA-N 493.591 2.286 30 10 JEEE C[C@H]1C[C@@H](C)CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1304922506 ASQHZKLGEFXAAQ-NSHGMRRFSA-N 472.615 2.493 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCC(=O)N2)n1Cc1ncnn1C(C)(C)C 1316085825 HIIQXZCIRXWEDM-LJQANCHMSA-N 477.573 2.149 30 10 JEEE C#CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C(=O)NC)CC1 1358912911 AXFOAOXNXRAWRX-LJQANCHMSA-N 474.606 2.352 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCSC1)[C@@H]1CCS(=O)(=O)C1 1358966245 KTJZBFJPDJACHU-RTBURBONSA-N 471.608 2.109 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2Cc2c(CC)nn(C)c2OC)CC1 1359030780 FONPEYISVRIGQM-UHFFFAOYSA-N 479.585 2.070 30 10 JEEE C=C(Br)Cn1c(Cc2ccccc2F)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1359085270 HWEUBYSAJSGEPL-AWEZNQCLSA-N 472.384 2.387 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(C)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1359104114 YFTCUTILDSKVBP-DWLFOUALSA-N 455.559 2.098 30 10 JEEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1359122422 RPXIFLMVZGSGHZ-MSOLQXFVSA-N 475.594 2.203 30 10 JEEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1359128230 NNSKFCMXGSVXBJ-HXUWFJFHSA-N 470.599 2.118 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1359294345 QVRDWEZWTQSONB-UHFFFAOYSA-N 496.612 2.493 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 1359297539 TZFXCSOHOCSYAA-IFMALSPDSA-N 493.656 2.373 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1359329528 LNSMSIQQWLIDCQ-IYBDPMFKSA-N 492.556 2.249 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N2CCOCC2)C1 1359576452 CIVUDUFINZCDQD-FQEVSTJZSA-N 495.584 2.169 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1CCN1CCOC[C@@H]1C 1360211253 BVIQHFXEUVYAMI-IBGZPJMESA-N 481.601 2.056 30 10 JEEE COc1ccc(Cl)cc1N1C[C@H](C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)CC1=O 1435550342 CBDYPSAILVTQOL-LSDHHAIUSA-N 454.918 2.100 30 10 JEEE COCC(C)(C)N1CCN(CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)CC1 1460274671 CBCAGLHYOWIFRX-LJQANCHMSA-N 457.619 2.399 30 10 JEEE CCN(CC)C(=O)CN1CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cc(C)nn2C)CC1 1501769480 FBYYVUYVRHMIML-UHFFFAOYSA-N 489.628 2.288 30 10 JEEE CN(C)[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](C#N)C1)c1cccs1 1503379875 DRSNLYMOPADPMC-HZPDHXFCSA-N 471.612 2.363 30 10 JEEE CO[C@H]1CCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccccc2C#N)CC1 1504469200 CUXNLFAOYZMTFQ-CTNGQTDRSA-N 451.575 2.430 30 10 JEEE C#CCN(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1507608886 MXGXGCONSARVNS-GOSISDBHSA-N 469.567 2.468 30 10 JEEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1507624877 FIDAKLMKMHNTJM-NFBKMPQASA-N 476.574 2.133 30 10 JEEE C#CCN(c1nnc(CC2CCCC2)n1CCOc1ncccc1F)[C@H]1CCS(=O)(=O)C1 1507633252 CLZHNRRURQZEHK-SFHVURJKSA-N 461.563 2.251 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCCNc1ccccn1)[C@H]1CCS(=O)(=O)C1 1507634304 JPJVNLHYXICRES-IBGZPJMESA-N 485.639 2.158 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1Cc1cc(C)no1)[C@@H]1CCS(=O)(=O)C1 1507638037 CWKYFANDKMXBPR-GOSISDBHSA-N 455.540 2.137 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@](C)(O)CCC)[C@@H]1CCS(=O)(=O)C1 1507638090 DITLBMQBFSBNNH-XMSQKQJNSA-N 464.563 2.174 30 10 JEEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2Cc2cc(Br)ccc2OC)CC1 1507724967 NFARCGZADPTGBB-UHFFFAOYSA-N 470.375 2.253 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@]2(O)CCO[C@@H]2C)C1 1508118633 SNPROXKECCLUMQ-BUKPSGGLSA-N 474.558 2.292 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(c2cccc(OCC)n2)CC1 1508135959 CZBDRMMETNOMON-UHFFFAOYSA-N 483.598 2.061 30 10 JEEE C[C@H](Oc1ccccc1F)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCS(C)(=O)=O 1510279390 AZFKRIGQBOPSAW-KRWDZBQOSA-N 499.572 2.195 30 10 JEEE C=CCOc1cc(OC)ccc1C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 1521037905 DBXQQHCRUVAIRZ-GOSISDBHSA-N 453.543 2.285 30 10 JEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1539201099 WANBOLVCXJIAFU-XLIONFOSSA-N 473.574 2.084 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1CC(O)(CC)CC)[C@H]1CCS(=O)(=O)C1 1539230319 LSTJEGIYTAYNEM-KRWDZBQOSA-N 464.563 2.174 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1coc(-c2ccc(C)cc2)n1 1539295530 CCJCNAPLCCUJCE-GOSISDBHSA-N 466.567 2.363 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC[S@@](=O)C(C)(C)C 1539416619 QMHMBJUPZGZJJS-STQSFFJQSA-N 497.662 2.220 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CCCN2CCC(O)CC2)CC1 1539430947 PGBLCSDLQBJXKM-DEOSSOPVSA-N 450.631 2.422 30 10 JEEE C#CCSCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1539497352 JNERSRDDDVIGMC-HSZRJFAPSA-N 487.582 2.368 30 10 JEEE C=C(Br)Cn1c(N2CCN(C(=O)OC)[C@@H](C)C2)nnc1[C@@]1(OCC)CCOC1 1539609111 KKGOVBIWZNGPQS-KBXCAEBGSA-N 458.357 2.116 30 10 JEEE C=C(Cl)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1539771996 CJNSNQWURASLBR-UHFFFAOYSA-N 478.985 2.006 30 10 JEEE C=CCCOCCn1c(-c2cccnc2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1540027081 OKCXAHXVNFUWHP-LJQANCHMSA-N 450.547 2.330 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1540863544 YDZPRXNJPVAWCP-VXKWHMMOSA-N 482.629 2.496 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1540875418 LIXQEDSIJCPQGS-UHFFFAOYSA-N 474.537 2.356 30 10 JEEE CCN(CC)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)Nc3cc(C#N)cc(C)n3)CC2=O)cc1 1544528497 AYTQXLXACSOCAR-KRWDZBQOSA-N 455.540 2.284 30 10 JEEE CNC(=O)[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CCN1S(=O)(=O)c1cccc(OC)c1 1548369164 GEGSWJQSZPCZDT-IBGZPJMESA-N 482.484 2.211 30 10 JEEE C=CCn1c(SCC(=O)N[C@H](CO)[C@@H](O)c2cccnc2)nnc1-c1ccc(Cl)cc1 1557910659 FTCUDTASMHPZSB-MJGOQNOKSA-N 459.959 2.482 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2CC2(OC)CCCC2)c1 1587697047 IRKNDWACIBMNFN-UHFFFAOYSA-N 464.570 2.416 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccccc1CN1CCOCC1 1588186219 VBDXUMHACDLCCP-HHHXNRCGSA-N 477.609 2.274 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(=O)NC1CCCCC1 1588281082 XTHHFNWSZNZPGZ-UHFFFAOYSA-N 472.615 2.104 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CCNC(=O)OC(C)(C)C 1588638548 SXWDNAJUESKPQW-UHFFFAOYSA-N 467.530 2.205 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 1593747253 SPKDDCJIBAVMIP-ROUUACIJSA-N 483.635 2.266 30 10 JEEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1593758386 YGAKAIMRWRMIAE-LJQANCHMSA-N 459.558 2.233 30 10 JEEE C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1CCN(Cc2csc(CC)n2)CC1 1593908022 FQRNCNOGOGCYGO-UHFFFAOYSA-N 450.012 2.494 30 10 JEEE C=CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1594733097 MZFITYJEUVBNTM-IBGZPJMESA-N 488.662 2.184 30 10 JEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2ccccc2C)CC1 1594813143 PFJVHADZQCJFNN-JOCHJYFZSA-N 473.643 2.404 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCCN(c2nccc(OCC)n2)CC1 1595497117 QJOMRXLHCYNANO-UHFFFAOYSA-N 492.584 2.161 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1595595048 QWMYZJJFJSGEOV-UHFFFAOYSA-N 499.641 2.171 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CC[C@@](O)(c2ccccc2F)C1 1595811915 GTVQCAXURCLQKX-QFIPXVFZSA-N 491.614 2.472 30 10 JEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)N(C)Cc3ccccc3)CC2)c1 1596459728 XGFSCXHJDRBYAX-UHFFFAOYSA-N 453.564 2.493 30 10 JEEE CC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)N2CCSCC2)C[C@H](C)O1 1614214893 AUYPVYUUNZRIQS-PXNSSMCTSA-N 490.655 2.199 30 10 JEEE CCN1CCN([C@@H](C)Cn2c(CC(C)(C)C)nnc2N2CCN(c3cc(C#N)ccn3)CC2)CC1 1615842849 IBGKSAPFXXSZIV-NRFANRHFSA-N 479.677 2.486 30 10 JEEE COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2C[C@@H](C)O[C@H](C)C2)CC1 1618897030 AFNNLQGDZIAHAP-RTBURBONSA-N 467.574 2.204 30 10 JEEE C#CCSCCNC(=O)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 1628385686 XTYFGISJXDVECP-UHFFFAOYSA-N 451.433 2.394 30 10 JEEE N#Cc1ccc(N2CCC[C@H](NC(=O)NCC(=O)Nc3ccc(-n4cccn4)cc3)C2=O)cc1 1634187615 CFCXVJIDNWWKMN-NRFANRHFSA-N 457.494 2.177 30 10 JEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H](c1ccc(F)cc1F)c1nccn1C 1648467436 GBZWLJAVTZDJRE-BFUOFWGJSA-N 459.478 2.143 30 10 JEEE CNS(=O)(=O)c1cccc([C@@H](C)NS(=O)(=O)c2ccc(Br)c(C#N)c2)c1 1661324535 AFCOSPBQIFTAQL-LLVKDONJSA-N 458.359 2.268 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1689989727 IBTCQUBKLDHLQA-MHTWAQMVSA-N 477.675 2.165 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCc1cnn(C)c1 1690019771 REGUPSHAYPFBCY-HXUWFJFHSA-N 467.574 2.026 30 10 JEEE C#CCN1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CCN(C)CCCC)CC1 1690122549 VDNRXGATWMXSRD-UHFFFAOYSA-N 476.629 2.162 30 10 JEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](c2c(F)cccc2F)N(C)C)CC1 1690132159 JKCBWDYQRSNBFJ-QFIPXVFZSA-N 482.583 2.476 30 10 JEEE C=C(Br)Cn1c(-c2ccc[nH]2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1690225494 APRKBSKGELWHBM-UHFFFAOYSA-N 457.398 2.432 30 10 JEEE C=C(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1690273291 MBFQPPMXMJJQSO-NRFANRHFSA-N 465.602 2.466 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1690384587 XONMKUHUQYOHBA-JTSKRJEESA-N 481.619 2.056 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc(-c2noc3c2COCC3)n1CCS(=O)(=O)N(C)C 1690569338 FONUFLLXQVCPCL-UHFFFAOYSA-N 490.561 2.229 30 10 JEEE C=CCN(CC=C)c1nnc(COc2ccc(Br)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1690600731 BNUPMMMLWUFTFN-FQEVSTJZSA-N 497.415 2.348 30 10 JEEE C=CCn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1690636020 BDDASLZKJIIVHC-QGZVFWFLSA-N 454.531 2.401 30 10 JEEE CC(C)Cc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CCN1CCOC[C@@H]1C 1692227954 GDBLIVUHBGUWKJ-NRFANRHFSA-N 451.619 2.391 30 10 JEEE CCN1C[C@@H](C)N(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)NC(C)C)C[C@@H]1C 1695802474 AAQNNIFBLMXPNI-ZWKOTPCHSA-N 459.620 2.063 30 10 JEEE COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCN(C(C)C)CC2)C[C@@H](C)O1 1697910414 GPBFEGKYCQBDBL-NFBKMPQASA-N 498.628 2.204 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1c(C)nn(C)c1C 1705495143 LGHPAXRZPOPIFI-KXBFYZLASA-N 457.579 2.443 30 10 JEEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CCOc2cccc(OC)c2)CC1 1705523556 ZYSYTTOOYQZPRZ-UHFFFAOYSA-N 466.586 2.137 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1CCCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1705563008 OUUIYKBFBDPTHN-LJQANCHMSA-N 487.626 2.075 30 10 JEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC[S@@](=O)C(C)(C)C 1705583147 RJHDUISYYHZWRX-JGCGQSQUSA-N 453.616 2.072 30 10 JEEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccccc2OCC(F)(F)F)CC1 1705642241 MJVHJEKZQIJBFV-UHFFFAOYSA-N 476.503 2.145 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@@](C)(O)C2CCCCC2)CC1 1705647129 AXGQPEXOWGJXAL-XMMPIXPASA-N 451.575 2.032 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@H](C)c2nccs2)CC1 1705736883 FONYKDHRSHASPC-QZTJIDSGSA-N 480.660 2.113 30 10 JEEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1c(Cl)c(C(F)(F)F)nn1C 1705843796 NTZQDFRRKZRIHS-JTQLQIEISA-N 452.890 2.256 30 10 JEEE C=CCN(c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCN1CCOCC1)C1CC1 1705854649 YCZHNTKIPHUEIH-FQEVSTJZSA-N 476.622 2.464 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1[C@@H]1C[C@H]1CF 1705865100 QWUGBECZIDOCAO-QXAKKESOSA-N 467.542 2.473 30 10 JEEE C=CCn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1705888261 NMYFNNWNQKSEBK-CQSZACIVSA-N 470.393 2.420 30 10 JEEE C=CCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1705889718 ZJNJEHOBKOKGIN-GOSISDBHSA-N 499.641 2.359 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCCN(Cc2ccc(F)cc2)CC1 1705902368 CWFYOXJFFRUAHR-FQEVSTJZSA-N 456.566 2.326 30 10 JEEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1705907380 KOMXKCHGMPTEEZ-FQEVSTJZSA-N 452.603 2.055 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ccc(C)cc2C)C1 1705924483 DDJCBFBJRKUFAO-VXKWHMMOSA-N 489.642 2.252 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC(CC(N)=O)CC1 1705934697 UXYWIFAVGKJATR-UHFFFAOYSA-N 456.572 2.119 30 10 JEEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1722301572 CJFLCRDUYVEMPY-IFXJQAMLSA-N 455.005 2.231 30 10 JEEE C#CCN(c1nnc(CSc2ccc(C)cc2)n1C[C@]1(OC)CCOC1)[C@@H]1CCS(=O)(=O)C1 1722369844 HYBIDQFXQYQXIN-AUSIDOKSSA-N 490.651 2.311 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCN1CCCCC1=O 1722384063 MJYOSVXDSNOACL-FQEVSTJZSA-N 484.601 2.062 30 10 JEEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1722459321 HTGZMXDAELMYNR-OAQYLSRUSA-N 474.675 2.457 30 10 JEEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1722460636 YVRUDZGCCDNKSW-LEWJYISDSA-N 468.627 2.235 30 10 JEEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1722480280 OWUMEANADZPZCX-HZPDHXFCSA-N 491.394 2.287 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(c2ncccc2C#N)CC1 1722519853 RRWRZHJTHGGJNV-UHFFFAOYSA-N 492.609 2.365 30 10 JEEE C=C(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1722525913 KDJQTXLCXQLEOM-IRXDYDNUSA-N 468.624 2.396 30 10 JEEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(c2cnccn2)CC1 1722606645 CZSQEFMTVUZFPW-UHFFFAOYSA-N 453.572 2.431 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 1722698543 HKYYQBPQUJVEBG-ZWKOTPCHSA-N 462.595 2.215 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)c1cc2ccccc2o1 1722698679 KEMGEYBERWUVES-RDJZCZTQSA-N 457.556 2.426 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCCN(C(=O)CC2CCCC2)CC1 1722700825 WHNKYWZEZSARBO-UHFFFAOYSA-N 465.602 2.185 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1722726533 DBRSQINKVKNQEJ-UHFFFAOYSA-N 497.581 2.484 30 10 JEEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccs1 1722738336 GOKSUDIXCQULRZ-INIZCTEOSA-N 457.647 2.228 30 10 JEEE C[C@H]1CN(C(C)(C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCS(=O)CC2)C[C@H](C)O1 1726633785 DYZWUMUUNYMNRQ-ROUUACIJSA-N 456.616 2.273 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H](c1cccc(C)c1)N1CCOCC1 1727228762 AFEHYUMQNUMKRC-PKTZIBPZSA-N 495.628 2.307 30 10 JEEE CCC[C@H](C)C(=O)NCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@H](C)CC#N 1727925168 CNKFATPTMBSZSE-DLBZAZTESA-N 464.574 2.483 30 10 JEEE COCc1nc(Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CCO[C@H](C#N)C2)cs1 1730533686 CYMLZNDWPZVODV-QGZVFWFLSA-N 487.973 2.241 30 10 JEEE CS(=O)(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC=CO2)C1 1731013601 ARRLBBZHIPEQTQ-AZUAARDMSA-N 456.572 2.275 30 10 JEEE C#CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(NC(=O)C(C)C)CC1 1740570422 QAOKJMRSVZVZTN-UHFFFAOYSA-N 461.574 2.465 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](CC)c2ccccc2)n1CC1(O)CCS(=O)(=O)CC1 1740649647 ZCBGDHRHYLYYJN-OAQYLSRUSA-N 454.596 2.223 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1CN1CCCCC1 1740686144 OXESQFAARRMPRE-HSZRJFAPSA-N 485.654 2.300 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCC[C@H]2C)n1 1740688823 KGWPOPSCWOBYLX-VAMGGRTRSA-N 474.631 2.099 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC2([S@](C)=O)CCC2)CC1 1740692381 JGVFBXPXHMUEPE-NDEPHWFRSA-N 465.421 2.092 30 10 JEEE C#CCN1CCN(c2nnc(-c3nn(C(C)C)c(=O)c4ccccc34)n2CCOCC(F)F)CC1 1740695265 LAEVMMSGZADGAN-UHFFFAOYSA-N 485.539 2.273 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2Cc2cccnc2OCC(F)F)CC1 1740706740 BCXHQORPPDUTIF-UHFFFAOYSA-N 495.534 2.317 30 10 JEEE C=C(Cl)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1740813256 AIELYLPVSRRFQU-VGSWGCGISA-N 484.004 2.470 30 10 JEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cc(OC)c(OC)c(OC)c2)CC1 1740832957 JLJPJOMHBKRHSO-HNNXBMFYSA-N 479.603 2.365 30 10 JEEE C=CCN(Cc1cccs1)c1nnc(-c2nnc(O)c3ccccc23)n1CCNS(C)(=O)=O 1740921791 IOBFVEWPRCYFQK-UHFFFAOYSA-N 485.595 2.397 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@@H](CN(CC)CC)C1 1740955588 YXORQQLXRYZOCK-SFHVURJKSA-N 454.575 2.187 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(C(=O)c2cccs2)CC1 1740966631 UXCHNUIBRWQJFI-UWJYYQICSA-N 473.599 2.465 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@H](C)N1CCN(CC)CC1 1748680371 REFMGBSXXPWZLM-RPBOFIJWSA-N 492.716 2.127 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2csc(C)n2)c1 1748692165 CXJQIQWWZRPLMN-SFHVURJKSA-N 498.634 2.244 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2C[C@H]2CCOC[C@@H]2OC)c1 1748694927 URVVFKCCARZKSO-GGAORHGYSA-N 474.565 2.372 30 10 JEEE C#CCCCn1c([C@H]2CCCOC2)nnc1N1CCN(C[C@H](O)COc2ccccc2)CC1 1748750785 OVZDEFMWQRKLMI-VXKWHMMOSA-N 453.587 2.147 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CC(=O)Nc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1748809089 PUORGMXSRUVPPE-SFHVURJKSA-N 471.514 2.251 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H](Cc1ccccc1)OC)[C@H]1CCS(=O)(=O)C1 1748819661 RDDACIRZHBWZOA-XZOQPEGZSA-N 479.606 2.148 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@H](C)Oc1ccccc1F)[C@H]1CCS(=O)(=O)C1 1748819965 VSTFODKMBDZDED-ICSRJNTNSA-N 483.569 2.497 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@@H]1CCO[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1748820094 ZBRCEVYPCSREKH-GGPKGHCWSA-N 460.575 2.450 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1CCCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1748824752 SNQRQBDKEKJMHJ-IBGZPJMESA-N 486.573 2.218 30 10 JEEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H](C(C)C)N1CCOCC1 1748896561 FUGSVRDYORDRTJ-QHCPKHFHSA-N 459.598 2.336 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCCc2nc3c(s2)CCCC3)CC1 1749000870 CBOMMUHNMRVJNI-UHFFFAOYSA-N 497.669 2.350 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2CCN2CCOCC2(C)C)CC1 1749015324 CYULYXTVKXHDPP-UHFFFAOYSA-N 456.635 2.087 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(C(N)=O)CC1 1749121042 KCGIAPPZOYFXMU-AZUAARDMSA-N 473.599 2.032 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(S(C)(=O)=O)CC1 1749121576 NSLVJJKHOZAUFQ-YOEHRIQHSA-N 499.435 2.099 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc([C@@H](C)O)cc1 1749157980 BQNZFTDMWXEVBB-YLJYHZDGSA-N 463.604 2.115 30 10 JEEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(O)(Cc2ccccc2F)CC1 1749170898 VFBFOQZLYLLLJV-MRXNPFEDSA-N 451.568 2.178 30 10 JEEE C=C(C)COCCn1c(N2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)nnc1[C@@]1(OCC)CCOC1 1749239506 LZLYYRZWHJOPON-TWRVUUBYSA-N 450.580 2.296 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCCS1(=O)=O 1749541238 KCOLHONOQYVTCE-SJLPKXTDSA-N 499.634 2.187 30 10 JEEE CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCOC[C@@H]2CCCO2)[C@@H](C)C1 1749850683 DHDWHFVESYCNCU-AVRDEDQJSA-N 452.559 2.459 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1760104974 KGTFXWNUXRXAFC-LPHOPBHVSA-N 489.506 2.032 30 10 JEEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(CCC(N)=O)CC1 1760162965 WEEZNGVRCXIXNX-UHFFFAOYSA-N 450.591 2.347 30 10 JEEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cccc(CN2CCO[C@H](C)C2)c1 1760165059 IGPKOUUVSHIOKH-CJFMBICVSA-N 453.587 2.269 30 10 JEEE C#CCN(c1nnc([C@@H]2COc3ccccc3O2)n1CCN(CC)C(C)C)[C@H]1CCS(=O)(=O)C1 1760187013 SITFATZDETZEKJ-UGKGYDQZSA-N 487.626 2.148 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@H](c1ccccc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1760191602 KNFVNDSBMIRWTK-DHIUTWEWSA-N 495.653 2.069 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Br)n2CCNC(=O)C2CC2)CC1 1760268081 LDDWSSIOPYRSSE-UHFFFAOYSA-N 499.413 2.200 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1760315115 ALWVTADAUUOBAB-BMFZPTHFSA-N 493.552 2.217 30 10 JEEE C=C(Cl)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1760371253 TWRKADPEEYRTCV-SJLPKXTDSA-N 485.980 2.041 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2nnc(C(C)(C)C)s2)CC1 1760402546 MZAFDIXKMKGIDX-MRXNPFEDSA-N 495.675 2.211 30 10 JEEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1760431360 MKWIWUODGBYDSY-UHFFFAOYSA-N 453.547 2.022 30 10 JEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1760510155 IDUQFXYIVFHWAG-OAGGEKHMSA-N 457.597 2.030 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1760524931 OBHUIUAQYRBNOX-MRXNPFEDSA-N 466.508 2.253 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc3ncccc3c2)C1 1760534878 IGKQPNFQPVGKKA-LPHOPBHVSA-N 456.572 2.266 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1760556523 GQUHTFITPQZDOO-IBGZPJMESA-N 476.628 2.326 30 10 JEEE CN(C)C(=O)C1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2ccc(C#N)cc2)CCCC1 1766845558 CXSYICVZPIOKBI-FQEVSTJZSA-N 484.626 2.337 30 10 JEEE COCCN(C)CCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCO[C@@H](C#N)C1 1769777799 DKRWFRPTSUQUMX-FQEVSTJZSA-N 491.637 2.090 30 10 JEEE N#Cc1cccc(-c2nnc(N3CCN(S(=O)(=O)Cc4ccon4)CC3)n2CC(F)(F)F)c1 1770735025 BLXRPFWVDHLNRB-UHFFFAOYSA-N 481.460 2.019 30 10 JEEE COc1ccc(-n2cc(/C=N\NC(N)=S)c(-c3ccc4c(c3)N(C)C(=O)CO4)n2)cc1OC 1857807613 SFDYBUWLWLMMJO-VROXFSQNSA-N 466.523 2.079 30 10 JEEE CCCC[C@H](NC(=O)NS(=O)(=O)c1ccc(CNC(=O)c2cccc(C#N)c2)cc1)C(=O)O 1858651419 RZBNPSDTOIZVRU-IBGZPJMESA-N 472.523 2.120 30 10 JEEE O=C(C1=C(O)C(=O)N(CCCN2CCOCC2)[C@H]1c1ccc2c(c1)OCCO2)c1cccc(O)c1 1862592547 FMWYUYOJGNWBQD-QHCPKHFHSA-N 480.517 2.464 30 10 JEEE C=CCOc1ccccc1[C@@H]1C(C(=O)N2CCN(C)CC2)=C(N)Oc2c1c(CC)nn2CC 1865224948 KTLPQTFVXLWFGW-FQEVSTJZSA-N 451.571 2.499 30 10 JEEE C=CCN(CC=C)S(=O)(=O)c1ccc2nc(NC(=O)CN3C(=O)c4cccnc4C3=O)sc2c1 1866236993 SKDLVWJIRWHBSX-UHFFFAOYSA-N 497.558 2.289 30 10 JEEE C=CCN(CC=C)c1nc(=NCc2ccc(S(N)(=O)=O)cc2)nc(Nc2ccc(OC)cc2)[nH]1 1871561875 WKUCLUVILLKKHZ-UHFFFAOYSA-N 481.582 2.484 30 10 JEEE CC(C)N1C(=O)CS[C@H](C(=O)N2CC[C@@H](Oc3cnsn3)C2)[C@@H]1c1ccc(C#N)cc1 1892155272 UROMYZFGDMBIQL-UXPWSPDFSA-N 457.581 2.483 30 10 JEEE C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1nn(C)c(Cl)c1I 2010383707 LTGTTWFMVDTLIX-SECBINFHSA-N 466.707 2.211 30 10 JEEE C#CCN(C[C@@]1(O)COCCN(C(=O)OC(C)(C)C)C1)C1CCN(C(=O)OC(C)(C)C)CC1 2106635810 BHXRLAYCRXWJAB-DEOSSOPVSA-N 467.607 2.320 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1COC[C@H]1NC(=O)c1csc(B2OC(C)(C)C(C)(C)O2)c1 2255711534 ARDGMSWALPNKLW-LSDHHAIUSA-N 452.382 2.317 30 10 JEEE CC[C@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2256668718 FFGDCHAYQZANSU-QWHCGFSZSA-N 452.386 2.233 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2266988750 STTMYFWYBAAXRN-IAGOWNOFSA-N 450.316 2.147 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)c2csc(B3OC(C)(C)C(C)(C)O3)c2)C[C@@H]1CO 2267277487 PXAMNDDJXLZSFQ-HZPDHXFCSA-N 466.409 2.395 30 10 JEEE CC(C)(C)OC(=O)N(CCNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1)C1CC1 2267706395 XUHCDOIIMNHUGM-UHFFFAOYSA-N 487.453 2.261 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2268646199 SUYRIXJLVIHCFG-RHSMWYFYSA-N 450.316 2.434 30 10 JEEE Cc1c(C(=O)NC[C@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281988556 OCCVQAWPUWIZBY-JKSUJKDBSA-N 462.400 2.451 30 10 JEEE Cc1c(C(=O)N2C[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281990029 HUDWLXXBKJBXJD-HUUCEWRRSA-N 462.400 2.498 30 10 JEEE CC(C)(C)OC(=O)NCCCn1cc(NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)cn1 2281991392 ZMERQNOJVSWSGR-UHFFFAOYSA-N 460.344 2.073 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C1)[C@@H]2NS(=O)(=O)c1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2282505443 DJDFISGELSMHEO-JLVBRIDZSA-N 482.383 2.269 30 10 JEEE CC1(C)OB(c2cc(C(=O)N3CC[C@](CNC(=O)C(F)(F)F)(C4CC4)C3)co2)OC1(C)C 2282533741 OMMNZVMUIPGGSL-HXUWFJFHSA-N 456.270 2.500 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1CC2(CCN(C(=O)OC(C)(C)C)C2)C1 2282536920 JBGDUWNCCSLDSH-UHFFFAOYSA-N 460.384 2.239 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1C[C@H](NC(=O)OC(C)(C)C)C12CCC2 2282537137 MCPVUJZBPAILAB-HOTGVXAUSA-N 460.384 2.285 30 10 JEEE CC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282555633 WKHYJAFYSZXWAJ-WBVHZDCISA-N 462.400 2.485 30 10 JEEE Cn1ncc(C(=O)N2CCN(C(=O)OC(C)(C)C)CCC23CC3)c1B1OC(C)(C)C(C)(C)O1 2282573129 VUVGXOIEGOONPJ-UHFFFAOYSA-N 460.384 2.335 30 10 JEEE CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](CNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2282579831 KKJYAOYBFAJJAA-ZDUSSCGKSA-N 470.326 2.331 30 10 JEEE Cn1cc(C(=O)NC[C@@]23CC[C@@H]2CN(Cc2ccccc2)C3)c(B2OC(C)(C)C(C)(C)O2)n1 2282585910 RIRWDXXJJPLHDD-KBMIEXCESA-N 450.392 2.361 30 10 JEEE CC1(C)CN(Cc2ccccc2)[C@@H](CNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CO1 2282592272 AUCWWIFMMWRSET-SFHVURJKSA-N 454.380 2.118 30 10 JEEE Cc1cnc(C(=O)N2CCC[C@H](NC(=O)C(F)(F)F)[C@H]2C)c(B2OC(C)(C)C(C)(C)O2)c1 2282644673 MXGMNVNAYFAECB-HIFRSBDPSA-N 455.286 2.361 30 10 JEEE CN([C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21)S(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2282867277 WJEVKIDELAVOCU-MNZLEMJZSA-N 478.420 2.472 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CCc2cccc(B3OC(C)(C)C(C)(C)O3)c21 2283954255 CKWVBGVDBKERRH-AEFFLSMTSA-N 458.364 2.245 30 10 JEEE CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1sccc1B1OC(C)(C)C(C)(C)O1 2283955423 DYAKAENMBIJWGL-INIZCTEOSA-N 482.408 2.462 30 10 JEEE C[C@H](C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1)N1CCN(C(=O)OC(C)(C)C)CC1 2283959684 PEOQMDSSWVPQRX-MRXNPFEDSA-N 460.384 2.261 30 10 JEEE CC(C)(C)OC(=O)NC(C)(C)[C@@H](O)C(=O)N1Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C1 2284012747 YOSYKJUBPROGMI-SFHVURJKSA-N 460.380 2.492 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)s1)[C@@H](O)C(F)(F)F 2284061105 UVGGZAOLGCVREZ-ZIAGYGMSSA-N 494.341 2.480 30 10 JEEE Cc1cc(NC(=O)[C@@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2360548877 IYMITSXZBGTJAU-QGZVFWFLSA-N 482.408 2.171 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1COC[C@@H]1C(=O)N1CCc2scc(B3OC(C)(C)C(C)(C)O3)c2C1 2361642085 TZABUWNSCURUEI-RDJZCZTQSA-N 478.420 2.472 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2C[C@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)n1C 2362492516 MISSEOZQTSOZBM-HRCADAONSA-N 460.384 2.155 30 10 JEEE CC(C)(C#C[C@@H](NN)c1ccc(Br)cc1I)S(C)(=O)=O 2365186050 MYIGZCCMKLHFFM-GFCCVEGCSA-N 471.158 2.385 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)[C@@H](C)S(=O)(=O)CC(=O)Nc3ccc(OC)cc3)cc21 19978393 UNNNKJNYWSAUEG-OAHLLOKOSA-N 472.519 2.231 30 10 JEEE CCOc1ccccc1NC(=O)CSc1nnc(N/N=C/c2ccc([N+](=O)[O-])cc2)n1N 20292022 XDXLYPYCPPJYHF-SRZZPIQSSA-N 456.488 2.476 30 10 JEEE C=CCN(CC(=O)N1CCCN(c2ccc(-c3cccc(OC)c3)nn2)CC1)C(=O)NCC 36071648 CADCZUWWKHECMH-UHFFFAOYSA-N 452.559 2.408 30 10 JEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc3cc(OC)ccc3c2)c(=O)n1C[C@H]1CCCO1 489592865 AQPRSXCTTDAMDU-OAQYLSRUSA-N 475.570 2.056 30 10 JEEE COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C(=O)NCc1ccc(C#N)cc1F 609256877 KOWRFSBBSSPVEB-UHFFFAOYSA-N 474.514 2.135 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)N3CCO[C@H](c4ccc(F)cc4)C3)cc2C1=O 918812022 AEWMWIKNNSGATO-FQEVSTJZSA-N 452.438 2.365 30 10 JEEE Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 1135918795 HWOMGIWXIAYBHY-KRWDZBQOSA-N 451.552 2.403 30 10 JEEE CC[C@H](C#N)Oc1cccc(CNC(=O)CNS(=O)(=O)c2ccc3c(c2)OCCCO3)c1 1146948538 AQEGPMSNAQQQDL-QGZVFWFLSA-N 459.524 2.124 30 10 JEEE CCn1cc([C@H]2C[S@](=O)CCN2C(=O)COc2ccc(C#N)c(Br)c2)cn1 1156440513 HEGJYSJVNHCGEQ-XGCWNURASA-N 451.346 2.248 30 10 JEEE C=CCO[C@H]1CCN(C(=O)Nc2ccc(S(=O)(=O)N3CCC[C@H](C(=O)OC)C3)cc2)C1 1197220887 RYSATGCSEIRNPK-WMZOPIPTSA-N 451.545 2.069 30 10 JEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCc2cc(S(C)(=O)=O)ccc2F)cc1 1198244544 PQTLQALEYPQGHK-UHFFFAOYSA-N 455.533 2.357 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCCOc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1286379739 BQELEGYLLNCAQV-LJQANCHMSA-N 494.577 2.021 30 10 JEEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1Cc1cccs1)[C@H]1CCS(=O)(=O)C1 1286393617 FNUNRFHLLWXFKX-HNNXBMFYSA-N 475.621 2.006 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC[S@](=O)CC 1286522103 IVSAOQXTWUIGQX-JIYROHSKSA-N 452.584 2.436 30 10 JEEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@H]1CCN(Cc2ccccc2)C1 1286621097 ZTXUAUOIEKDZCJ-AEFFLSMTSA-N 453.012 2.352 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(Cl)cc2)CC1 1286646000 KOXPITLAURCALW-SFHVURJKSA-N 451.980 2.469 30 10 JEEE C=CCn1c(-c2cccc(Br)c2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1286770018 LNDVAKQCTOOIHR-HNNXBMFYSA-N 457.336 2.426 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(CCc2cccs2)CC1 1286786900 LMUDMGFAMRSXEH-UHFFFAOYSA-N 451.600 2.377 30 10 JEEE C=CCNC(=O)Cn1c(N2C[C@@H](C)O[C@H](C3CC3)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1286792845 JYQDDCFIRXWJPH-YSHGAJCASA-N 474.606 2.355 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC(C(=O)Nc2ccccc2)CC1 1286820985 XDLKVFHVOVLSJP-IBGZPJMESA-N 473.599 2.238 30 10 JEEE CC(C)N(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1287926731 CVLLUJDVDWJUJK-RTWAWAEBSA-N 451.575 2.316 30 10 JEEE C[C@@]1(C#N)CCCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2CCS(=O)(=O)CC2)C1 1288974864 HDEUZOJWJGZWSS-QFIPXVFZSA-N 491.639 2.303 30 10 JEEE COc1ccc(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)cc1OC(F)F 1300150361 HFEVBIOTZOUAGT-QVKFZJNVSA-N 499.515 2.475 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1300283587 NNQSILDDZUWZLI-YLJYHZDGSA-N 453.547 2.254 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@](C)(O)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1300496541 SBVORPAEMBJBSM-KKLQWCBXSA-N 464.632 2.130 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(Cn2ccnc2)c1 1300505867 JTNZOJNBIOIKJS-UHFFFAOYSA-N 450.506 2.291 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1300558732 ARTWNCPLKNFSQD-TYBLODHISA-N 457.619 2.281 30 10 JEEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1Cc1ncnn1-c1ccccc1 1300591520 RZIOXSFMBAZBPK-UHFFFAOYSA-N 470.562 2.362 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2Cc2ccccc2CN2CC[C@@H](O)C2)CC1 1300711845 IWRICUSKITWWGV-HYBUGGRVSA-N 478.641 2.372 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCC2(OC)CCC2)CC1 1300716697 OSLDGYJONUOBJT-VWLOTQADSA-N 473.618 2.244 30 10 JEEE C=CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)CC[C@@H]2C1)c1ccccc1 1301164242 QZGNVYCQOYETPZ-DFQSSKMNSA-N 472.615 2.059 30 10 JEEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1301196404 BKZPIGWJNGBGBI-UHFFFAOYSA-N 460.542 2.317 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[C@H]1[C@@H]1CCCO1 1301483306 NRHDWNAYIXNSRI-ROUUACIJSA-N 471.558 2.421 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1301510154 UKDUTCKCWZCYBL-JOCHJYFZSA-N 479.585 2.186 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](CN2CCCC[C@@H]2C)C1 1301579808 YDMOJWFWSDMGFV-VQTJNVASSA-N 475.663 2.370 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)ccc2C)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1301592608 AREOLCMYIJHVQT-UXHICEINSA-N 487.626 2.322 30 10 JEEE CCC[C@H](Cn1c(N2CCN(c3ccc(C#N)cn3)CC2)nnc1[C@]1(OCC)CCOC1)OC 1306591437 DIFKVJDKJQAEIL-YKSBVNFPSA-N 469.590 2.339 30 10 JEEE CCN1CCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCCN(c2ccccc2C#N)CC1 1313896049 CJJZENIGQIKJIB-NRFANRHFSA-N 464.618 2.489 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1Cc1ccc(C)cc1OC)[C@@H]1CCS(=O)(=O)C1 1358961301 WAZQTQKYVTWGHW-LJQANCHMSA-N 453.568 2.276 30 10 JEEE C#CCN(CCOC)c1nnc(Cc2ccccn2)n1CCc1cnc2c(Cl)cnn2c1 1359025869 BHQDUXIXWUNSJR-UHFFFAOYSA-N 450.934 2.289 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CCc2nnc3n2CCCCC3)CC1 1359045376 FICVCWZZNCDJJL-UHFFFAOYSA-N 466.634 2.393 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCOC[C@H]1OC 1359254755 BWWOPRBOEGGVNQ-TUNNFDKTSA-N 490.626 2.433 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCCN(C(=O)c2ccc(Cl)cc2)CC1 1359306802 QTWWRSFTHMXMOI-LJQANCHMSA-N 472.977 2.438 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Br)c2)nnc1N1CCC[C@@H](NC(C)=O)C1 1359327655 HKXWFSRVHBDAIF-GOSISDBHSA-N 496.431 2.413 30 10 JEEE C=CCSCCn1c(COc2ccccc2F)nnc1N1CCCN(S(C)(=O)=O)CC1 1359346248 GKMNRUHTTSNNAC-UHFFFAOYSA-N 469.608 2.387 30 10 JEEE C#CCNC(=O)CN1CCCN(C(=O)C[C@@H]2c3ccccc3CN2C(=O)OC(C)(C)C)CC1 1443359776 ZDVIGNWKXXSVLI-OAQYLSRUSA-N 454.571 2.152 30 10 JEEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H](C)SC[C@H]1C(=O)NCCC(=O)OC 1450969656 UWWHXZOBNJHASZ-JYJNAYRXSA-N 457.593 2.205 30 10 JEEE CCCOc1ccc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C(=O)NC)CC2)cn1 1501267976 FTEODNFNJWTOKA-UHFFFAOYSA-N 490.568 2.422 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCOC1CCOCC1 1507529213 QPINLVIJZXFSRI-QGZVFWFLSA-N 460.604 2.282 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2cnn(CC(C)C)c2C)CC1 1507718292 NJIUBUBAEIRPMW-UHFFFAOYSA-N 495.653 2.313 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(Cl)c(OC)c2)CC1 1507733779 MDWFMBLZGLZCOZ-UHFFFAOYSA-N 484.988 2.190 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2CCCN2CCCO[C@H](C)C2)CC1 1507739450 HXUUZQQTIFXISH-HXUWFJFHSA-N 484.670 2.397 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@]1(O)CCN(C)C1 1507769004 ZWVYPPTXEMCRCN-UKDVSSAZSA-N 472.634 2.451 30 10 JEEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1507781584 CUZGCYBYJFVYBR-QLFBSQMISA-N 481.395 2.441 30 10 JEEE C=C(Br)Cn1c(N2CC[C@@](C)(C(=O)NC)C2)nnc1[C@]1(OC(C)C)CCOC1 1507791844 AUWYPUNGETZUKZ-MOPGFXCFSA-N 456.385 2.190 30 10 JEEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1507936084 XPYSJZPFIIVXHG-VQTJNVASSA-N 492.690 2.106 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(Cc2ccccc2C)CC1 1508142277 AZODSWIIXONSPJ-UHFFFAOYSA-N 497.669 2.371 30 10 JEEE C=CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1508167131 HSJNYSVWCVZIGR-KRWDZBQOSA-N 458.588 2.341 30 10 JEEE C[C@@H](Oc1ccccc1F)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCS(C)(=O)=O 1510279404 AZFKRIGQBOPSAW-QGZVFWFLSA-N 499.572 2.195 30 10 JEEE CCN(CC)[C@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1515599200 GAAPMIGZVLIPKT-OFNKIYASSA-N 499.685 2.104 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1CC1(N(C)C)CCC1)[C@H]1CCS(=O)(=O)C1 1539211287 KXZSFYSLPPJYER-SFHVURJKSA-N 457.600 2.065 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@](C)(O)c1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 1539223190 ZKUNONVMCCIXAN-PMAPCBKXSA-N 493.029 2.360 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@H]1CCCN(CC(C)C)C1)[C@H]1CCS(=O)(=O)C1 1539224916 KGORHDZLZDDOMO-GOTSBHOMSA-N 484.670 2.259 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H]1C[C@H](OCC)C12CCC2 1539517124 IWKWPRHBKQRYOJ-SQNIBIBYSA-N 452.646 2.331 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1540866981 HDGLKHCYDXXJGB-GUYCJALGSA-N 469.464 2.421 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1540867628 BTFBAIGYZBDRAZ-KRWDZBQOSA-N 455.563 2.336 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1cnn(C)c1 1540876434 RCFOBVVJXMSVCM-KRWDZBQOSA-N 458.567 2.022 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC(c3ccc(O)cc3)CC2)nnc1[C@]1(OCC)CCOC1 1540876638 XHKWKWXCCDQURH-DEOSSOPVSA-N 455.559 2.322 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN(Cc2csc(C)n2)CC1 1540901163 VAYDEQKAZYPMFN-UHFFFAOYSA-N 473.628 2.028 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)C[C@@H](C)C#N 1540901757 NWXNFOPNUJDPIV-KRWDZBQOSA-N 483.598 2.433 30 10 JEEE COCCNC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1c1ccc(C#N)c(C(F)(F)F)c1 1548367843 RADILHHQUGQNTA-HXUWFJFHSA-N 496.511 2.219 30 10 JEEE C=CCNC(=O)c1cccc(S(=O)(=O)NN2Cc3ccc(Br)cc3C2=O)c1 1561816472 ALNJENZMHONDDG-UHFFFAOYSA-N 450.314 2.214 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3csc(C)n3)n2C[C@@]2(O)CCO[C@@H]2C)c1 1587697607 UVFFVNORJHVNEW-GYCJOSAFSA-N 480.594 2.230 30 10 JEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCOC[C@@H]1CCOC1 1587988836 CKNSXHUWQRHMBY-RBUKOAKNSA-N 463.579 2.099 30 10 JEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1nccc(C(F)F)n1 1587989587 KSJSAXXAVUPOTJ-HNNXBMFYSA-N 463.489 2.432 30 10 JEEE C#CCN(c1nnc(-c2cc(-c3ccccc3)on2)n1CCCOC)[C@@H]1CCS(=O)(=O)C1 1588049310 DYLKARXRCAMVQW-GOSISDBHSA-N 455.540 2.263 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@]1(C)COCCO1 1588314744 PMTSDGUGJHDTDJ-XMMPIXPASA-N 450.543 2.330 30 10 JEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CCN(CC)C(=O)OC(C)(C)C 1588629008 SUTHTFJZSFHCTK-UHFFFAOYSA-N 474.562 2.349 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccn3C)n2C[C@@H]2CCOC[C@@H]2C)n1 1588722985 IUHQCBSFTCIASJ-PMACEKPBSA-N 451.575 2.439 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCNC(=O)c2ccco2)CC1 1588741928 LANNDTVHQTUKGK-SFHVURJKSA-N 466.517 2.335 30 10 JEEE C#CCSCCn1c([C@H]2CCOC2)nnc1N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 1589069916 OSTGCZVKRPRTLV-IRFCIJBXSA-N 457.648 2.401 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(CCOC)C(=O)C1 1589492227 ADHZCBOJGIMJGE-KXBFYZLASA-N 493.406 2.312 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)C[C@H]1CCCO[C@@H]1c1ccccc1 1595788636 FBEUNGILLJIUJI-RZUBCFFCSA-N 487.626 2.434 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@H](C(=O)NC)C1 1595804647 DXBKPANCMIDFIW-KRWDZBQOSA-N 466.007 2.086 30 10 JEEE COCC[C@](C)(O)Cn1c(Cc2ccccn2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1619778025 HTABBCXIJHXLSY-VWLOTQADSA-N 479.560 2.389 30 10 JEEE C#CCNC(=O)C1CCN(C(=O)[C@@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)CC1 1626032697 DOOIURZGUNTSQP-NRFANRHFSA-N 450.539 2.381 30 10 JEEE C#CCN(C(=O)NC[C@H]1CCO[C@H]1C(=O)OC)[C@@H]1CCOc2ccc(Br)cc21 1637765063 CWAIFIVLEIIQPP-MZMPZRCHSA-N 451.317 2.496 30 10 JEEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(Sc3nc(C)cs3)cc2)CC1 1666264615 QSDYGPIRHTXFEW-UHFFFAOYSA-N 451.599 2.220 30 10 JEEE C#CCOc1ccc(F)cc1NC(=O)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 1667555512 WHYOVXIHXAWIJT-UHFFFAOYSA-N 457.487 2.252 30 10 JEEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1689873286 CXPOPGYTBBWJRU-UHFFFAOYSA-N 472.615 2.039 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCC1=CCCCC1)[C@H]1CCS(=O)(=O)C1 1689978535 XWDQUVZSIFOJOV-IBGZPJMESA-N 468.583 2.443 30 10 JEEE C#CCN(c1nnc(C2CCCC2)n1CCNC(=O)c1ccc(C)c(F)c1)[C@H]1CCS(=O)(=O)C1 1689990609 QLJAJSNRPOLLBA-FQEVSTJZSA-N 487.601 2.440 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCCN(C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1689996672 LQPUTHVGPQONRX-QHCPKHFHSA-N 495.653 2.293 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H](CC)N1CCCC1 1690006505 RBWSAQFFVCUXBZ-NRFANRHFSA-N 468.627 2.143 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(=O)NC(C)(C)C 1690048400 IVQYOWGXGGLPFA-LJQANCHMSA-N 486.617 2.354 30 10 JEEE C#CCN(CCOC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC(C)(C)C(=O)NC 1690102126 DBKLCJROCLQMEK-UHFFFAOYSA-N 476.622 2.251 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2CC[S@](=O)CC)CC1 1690150377 FPWDLOWVWIHDJE-MGBGTMOVSA-N 466.611 2.085 30 10 JEEE C#CCSCCn1c(-c2cnccn2)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 1690169705 LPYRSTMIYLOQGS-KRWDZBQOSA-N 452.540 2.172 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OCCC)c(OC)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1690200318 SNXAPLHXKDHGRT-DNQXCXABSA-N 488.610 2.284 30 10 JEEE C=CCCOCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCCN(CC)C(=O)C1 1690500487 XDWOBIDZEVAMKK-UHFFFAOYSA-N 489.646 2.198 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(O)(C(F)(F)F)CC1 1690678080 KCCGGVOUWDIXFD-GDBMZVCRSA-N 459.513 2.393 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCCN(C(=O)c2ccccc2F)CC1 1690720552 LZOQXPVRCSPETI-UHFFFAOYSA-N 498.584 2.433 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 1690722474 KSKVMRRPXXOJDI-IBGZPJMESA-N 497.625 2.443 30 10 JEEE C=CCSCCn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1690749169 UFJPRPLNHLQCMC-SFHVURJKSA-N 462.645 2.381 30 10 JEEE CC(C)(C)S(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1691317624 AISZPCXNEAEIEU-UHFFFAOYSA-N 468.587 2.080 30 10 JEEE COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCCO[C@@H](C)C2)CCO1 1697888310 CULKTANPKJESNY-SIKLNZKXSA-N 454.575 2.169 30 10 JEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 1705517522 XIUQFTRTAUOHHN-RTBURBONSA-N 450.605 2.006 30 10 JEEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1705550274 WMIIRLMJGYWOFL-QZTJIDSGSA-N 463.586 2.149 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1cccc(OC)c1OC)[C@@H]1CCS(=O)(=O)C1 1705565143 SPAOPHIQNDAMQX-LJQANCHMSA-N 467.551 2.032 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC[C@](C)(O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1705566882 RLMCTGPNNBWXBK-HFMPRLQTSA-N 472.611 2.444 30 10 JEEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1705590252 GMLMPLPIWIVPLY-CUNXSJBXSA-N 492.624 2.450 30 10 JEEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1CCc1ccc(S(C)(=O)=O)cc1 1705600523 BOCGLTHTOATQTP-UHFFFAOYSA-N 464.595 2.249 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCN2CCCC[C@@H]2C)CC1 1705633923 BVLSMUULYCCLSZ-NRFANRHFSA-N 484.670 2.368 30 10 JEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N(CCO)Cc1ccc(F)c(Br)c1 1705659481 XZMPABYMEREKOQ-QGZVFWFLSA-N 496.406 2.496 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1CC[C@@H](SCC)C1 1705754646 CJKIANPTTGLBDD-OAGGEKHMSA-N 464.057 2.474 30 10 JEEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1705794760 SLKXTKSGABYYMN-SFHVURJKSA-N 464.636 2.007 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCCC1 1705857041 OACLFFQNBCZDCJ-FQEVSTJZSA-N 459.616 2.477 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(Cc2ccccc2OC)CC1 1705900774 OXLUMIIXYPZPFC-UHFFFAOYSA-N 461.570 2.282 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1705903150 NCLYOTLYHBHDRM-BEFAXECRSA-N 462.957 2.197 30 10 JEEE CCN(C1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cc(C)on2)CC1)S(C)(=O)=O 1709976258 DORPPIOZALVYTD-UHFFFAOYSA-N 499.597 2.324 30 10 JEEE CCOc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC2(O)CCN(C(C)C)CC2)cc1OC 1710519719 BQKVFHBEOKMWKF-FQEVSTJZSA-N 484.601 2.316 30 10 JEEE CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@H](c1ccco1)N(C)C 1710731016 CUTCDUYCIGLSDA-IBGZPJMESA-N 450.547 2.304 30 10 JEEE C#CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1722325452 LHGNRXRJXUVQFA-UHFFFAOYSA-N 465.558 2.401 30 10 JEEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccccc1CN1CC[C@@H](O)C1 1722417798 UAFOILMJHPUUBS-ZRBLBEILSA-N 453.587 2.077 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H]1CCCCS1(=O)=O 1722419516 ANFSODSORHEILV-HXUWFJFHSA-N 462.572 2.016 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2ccc(CN3CCCC3)cc2)CC1 1722450305 CQAWPEGZFWYUHF-UHFFFAOYSA-N 464.614 2.425 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)C1CC1 1722660308 RPHWGDSWCOQTAO-OFNKIYASSA-N 493.605 2.104 30 10 JEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](CCc2ccccc2)C1 1722703241 XLLLQPSSWPNARU-JOCHJYFZSA-N 463.586 2.280 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1722748829 BLKOMCGYNFFUCG-UHFFFAOYSA-N 485.614 2.048 30 10 JEEE CCO[C@]1(c2nnc(N(C)[C@@H](C)CC#N)n2Cc2cccc(CS(C)(=O)=O)c2)CCOC1 1728753007 BWKNPAPEUUXAFU-HTAPYJJXSA-N 461.588 2.261 30 10 JEEE COC1(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](c3cccc(C#N)c3)C2)CCC1 1729936165 DXECUZMHWNWMJS-XLIONFOSSA-N 488.614 2.297 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(N2CCC(OC)CC2)CCCC1 1740551803 MBQLARSRPSYNDC-MOPGFXCFSA-N 463.648 2.062 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H](c1cccc(F)c1)N(C)C)[C@H]1CCS(=O)(=O)C1 1740621300 LGNNFNZDADMWBG-VXKWHMMOSA-N 482.585 2.409 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H](C)COCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1740621607 OCAIGPHXCVSOAQ-DENIHFKCSA-N 482.610 2.158 30 10 JEEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCc1cccc(C)n1 1740685559 NYYYMVUJSQLOJA-UHFFFAOYSA-N 460.586 2.484 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2CCCc2nc(C)no2)CC1 1740693045 SIXYQXKWKFMFRL-UHFFFAOYSA-N 473.379 2.126 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1740708721 AEEJUULNYOJUET-UHFFFAOYSA-N 486.605 2.486 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC(C(=O)N2CCCC2)CC1 1740953395 DZASLQQMXHPOPG-UHFFFAOYSA-N 482.585 2.103 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1740954825 SGXBYLNLWWKFJW-HNNXBMFYSA-N 475.391 2.375 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1740955684 CRPIWNXUNSRBLL-UHFFFAOYSA-N 469.609 2.381 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CC2CCN(CC(F)(F)F)CC2)C1 1740969853 BZWIOJQKFVHSNC-KRWDZBQOSA-N 458.529 2.472 30 10 JEEE C=CCOc1ccccc1Cn1c(CN2CCCC2=O)nnc1N1CCCN(C(C)=O)CC1 1740971265 LTEKAGIWTBZXFX-UHFFFAOYSA-N 452.559 2.072 30 10 JEEE CC(C)CCN(CCC#N)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(O)c1 1741517566 HUAUNRKLWWGEQJ-HXUWFJFHSA-N 476.603 2.131 30 10 JEEE C#CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1748718057 MVSHJEALLDOVEZ-HOYKHHGWSA-N 472.590 2.106 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1cccc(N2CCCC2=O)c1)[C@H]1CCS(=O)(=O)C1 1748801734 FNIPBVURJZMAKR-FQEVSTJZSA-N 469.611 2.377 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCNc1ccccn1)[C@@H]1CCS(=O)(=O)C1 1748807787 CNXVXUXHIZFTKK-HXUWFJFHSA-N 495.565 2.377 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CC[S@@](=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1748807894 DAQVBKDSYTYPOS-WTPASJBYSA-N 478.640 2.128 30 10 JEEE C#CCN(c1nnc(COCC)n1Cc1ccc(OCC(F)(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 1748823712 ADENIXFUZBMLJE-QGZVFWFLSA-N 486.516 2.431 30 10 JEEE C#CCN(CC)c1nnc(-c2ccc(Br)cc2)n1CCNS(=O)(=O)Cc1ccon1 1748914356 JYMDQDPKUJFZSU-UHFFFAOYSA-N 493.387 2.275 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)ccc3Br)n2C[C@@H]2CC[C@H](CO)O2)CC1 1748979494 BSQCYWGTGSFCLJ-ZWKOTPCHSA-N 490.402 2.011 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC[C@@H]2COCCO2)CC1 1749005372 VPPFVXJYRJISMR-UYAOXDASSA-N 485.560 2.329 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2Cc2cccc(OC)c2OC)CC1 1749008944 JNFNEJORRLRJNP-UHFFFAOYSA-N 460.538 2.371 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCN1CCOCC1 1749058777 PTEPNFHOMIRVAT-HSZRJFAPSA-N 457.600 2.063 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(F)cccc1Cl 1749067410 SJLFAELAYUKWBC-GHTZIAJQSA-N 481.981 2.444 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCN(CC(F)(F)F)C1 1749067578 UWOAOZAVRYMOFS-TXPKVOOTSA-N 459.538 2.057 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)OCC(C)C)CC1 1749137235 XCSGSVBLNNPRDV-DENIHFKCSA-N 474.606 2.296 30 10 JEEE C=CCC(C)(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1749352731 URSSHKRTOSEDSG-UHFFFAOYSA-N 475.638 2.373 30 10 JEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C(CC)CC)no1 1749488467 LLLFKNLTNYOQJH-GOSISDBHSA-N 452.581 2.173 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CC(F)(F)CO1 1749591260 OZTJZIUEBLZWTN-DOTOQJQBSA-N 456.515 2.433 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1749653274 ZZIMPCABSAEKSC-APWZRJJASA-N 489.418 2.167 30 10 JEEE C=CCNC(=O)Cn1c(N(C[C@@H]2CCOC2)C2CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1749682207 PLOYLYHFMGNEKL-OKZBNKHCSA-N 474.606 2.356 30 10 JEEE CC(C)COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCOCC2)CC1 1750851044 GRKCQZBFGZPSKB-UHFFFAOYSA-N 481.601 2.454 30 10 JEEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1nccc(C(F)F)n1 1760176295 FWGNUJNHHYJJIF-UHFFFAOYSA-N 466.540 2.488 30 10 JEEE C#CCN(C)c1nnc(COc2ccc(F)cc2)n1CCNS(=O)(=O)c1ccc(C)s1 1760178173 CAPWUSUUHRNRME-UHFFFAOYSA-N 463.560 2.414 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1(C(N)=O)CCCC1 1760208280 PTUUSRCNAUQZIF-HDICACEKSA-N 454.575 2.167 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCCO[C@@H]2C(C)C)CC1 1760252939 YIZWOYZBQZSULV-PZJWPPBQSA-N 451.575 2.132 30 10 JEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)c2cccc(Cl)c2)CC1 1760272752 URGIWZUQFLHBNS-UHFFFAOYSA-N 487.029 2.496 30 10 JEEE C=C(Br)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1760303104 BCEFDPJVZIRTLY-OAHLLOKOSA-N 462.308 2.318 30 10 JEEE C=C(C)COCCn1c(-c2ccccc2OC)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1760354570 GRKPWWHJEQUJMG-XMMPIXPASA-N 468.558 2.361 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCC(=O)N2)n1CCN1CCN(C)C(C)(C)C1 1760499119 OUYWMUVZYIWOGJ-JOCHJYFZSA-N 465.646 2.490 30 10 JEEE C=CCn1c(CNC(=O)c2cccs2)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 1760513562 JAYQAVNLGBTNBS-CQSZACIVSA-N 460.585 2.300 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1760517945 CSEVHYZROPKGOL-SFHVURJKSA-N 470.574 2.006 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCN(CC)[C@@H](C)C2)cc1 1760530120 PXFOODLKXULBKT-AZUAARDMSA-N 459.616 2.324 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@@H](C(=O)OC)C1 1760551445 FYQVJRNCSVRAIH-CQSZACIVSA-N 468.963 2.207 30 10 JEEE Cc1nc(C)n(C[C@@H]2CCCN(c3nnc(-c4cccc(C#N)c4)n3CCCS(C)(=O)=O)C2)n1 1762463899 GJUVPQDDRTUMSM-HXUWFJFHSA-N 482.614 2.376 30 10 JEEE CC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)CC2CC2)CCO1 1765304629 GHIOKAIGMWMNRA-IBGZPJMESA-N 459.572 2.169 30 10 JEEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CSCCS2)C1 1767251726 CDWJGUFZJUCRFD-ROUUACIJSA-N 478.669 2.183 30 10 JEEE COc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@](C)(C#N)C2)c(OC)c1OC 1770199548 GGGQJWIONFDAMA-IVZQSRNASA-N 492.602 2.092 30 10 JEEE COCC(C)(C)Cn1c(Cc2cccnc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1770715249 FGWVRLUVWZRDCI-UHFFFAOYSA-N 463.590 2.177 30 10 JEEE COc1cc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2CCCO)cc(OC)c1O 1862742312 BISVYYLCJCAAOO-GOSISDBHSA-N 458.423 2.278 30 10 JEEE CSCC[C@H](NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1)C(=O)N1CCC(O)CC1 1868782108 DBXXZWHBUCIDFN-OALUTQOASA-N 464.657 2.246 30 10 JEEE COc1ccc(N2C[C@H](C(=O)Nc3c(C#N)nnn3Cc3ccc(OC)c(F)c3)CC2=O)cc1 1870110716 FRMGLVVSVBMBFB-OAHLLOKOSA-N 464.457 2.346 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCCOC)cn1CCc1ccc(OC)c(OC)c1 1870522213 YJQILSLPNCNUMZ-UHFFFAOYSA-N 499.608 2.424 30 10 JEEE COc1ccc(N2C[C@H](c3nnc(SCCO)n3/N=C/c3ccccc3O)CC2=O)cc1 1874197975 JEJLFQOHQMBKDW-DXRSZSRVSA-N 453.524 2.479 30 10 JEEE COc1cc(/C=N/n2c(S)nnc2CNC(C)=O)ccc1OCC(=O)Nc1ccc(C)cc1 1874559087 VFINMDQAUUUGFV-BHGWPJFGSA-N 468.539 2.420 30 10 JEEE CC(C)N1C(=O)CS[C@@H](C(=O)N2CCN(c3cc(N(C)C)ncn3)CC2)[C@H]1c1ccc(C#N)cc1 1889638008 GNVOZVWBQHNDFG-DNQXCXABSA-N 493.637 2.157 30 10 JEEE C[C@H]1C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@]3(Cl)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COP(=O)(O)O 1933252270 RTGFWMCLUOVPAE-AZORAALDSA-N 488.901 2.282 30 10 JEEE CC(C)(C)OC(=O)NCC(CNC(=O)OC(C)(C)C)NS(=O)(=O)c1ccc(CC#N)cc1 2054408361 QCWDRRIZZJZNMI-UHFFFAOYSA-N 468.576 2.449 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)cs1 2256623542 RGUZEQKWOGAXGP-GDBMZVCRSA-N 452.382 2.034 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@](O)(CC(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C1 2256639202 MSNDGIMPWASRQI-FQEVSTJZSA-N 453.370 2.143 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)sc1CNC(=O)[C@@H](O)CCNC(=O)OC(C)(C)C 2256732727 GAWKKUKNLPHWLL-AWEZNQCLSA-N 454.398 2.248 30 10 JEEE CC(C)(C)OC(=O)NCC1(NC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)CCOCC1 2267160261 WBPIHWKXPCBMCH-UHFFFAOYSA-N 467.397 2.246 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CN(C(=O)c2occc2B2OC(C)(C)C(C)(C)O2)CCO1 2267181938 ZNCOUZGKIVBPET-HOCLYGCPSA-N 450.341 2.333 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)[C@](C)(CO)C1 2267286029 MENWQGGOXHXUSX-QFIPXVFZSA-N 466.409 2.491 30 10 JEEE CN(CCCCN(C)C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2267505561 KEEINEZCZIXBJJ-UHFFFAOYSA-N 450.389 2.438 30 10 JEEE Cc1cc(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)oc1B1OC(C)(C)C(C)(C)O1 2267519153 GGEFAWRJUUWYGW-OAHLLOKOSA-N 450.341 2.253 30 10 JEEE CO[C@@H](CNC(=O)OC(C)(C)C)C(=O)N1CCc2sc(B3OC(C)(C)C(C)(C)O3)cc2C1 2268643724 ZBCJMRFYQZDCPP-HNNXBMFYSA-N 466.409 2.472 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2F)[C@H](O)C1 2281762751 JODVCMIQSSFIEJ-QZTJIDSGSA-N 464.343 2.225 30 10 JEEE C[C@@H]1C[C@H](CNC(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2281809611 WBTMVKSACUUKTK-HZPDHXFCSA-N 462.400 2.342 30 10 JEEE Cn1ncc(C(=O)N2C[C@@H]3CC[C@H](C2)C3NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2281826549 JLORMHVNPCXPOU-FKEKPDDDSA-N 460.384 2.095 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1 2281960952 GUPMOGHMBARMGU-RDJZCZTQSA-N 460.384 2.284 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@H]([S@](C)(=O)=NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2281984544 DAPBJGJRPVKPEF-UUBFPDNSSA-N 482.412 2.346 30 10 JEEE CC1(C)OB(c2sc(S(=O)(=O)N3CCC[C@H](C4OCCO4)C3)cc2Cl)OC1(C)C 2282309867 MCAHDQCGDHUXFP-LBPRGKRZSA-N 463.814 2.474 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CN(S(=O)(=O)Cc3ccccc3B3OC(C)(C)C(C)(C)O3)C[C@@H]21 2282502223 IBYJQUCDEOYMKZ-IZZQQSIFSA-N 478.420 2.271 30 10 JEEE Cn1cc(C(=O)NC[C@H](CNC(=O)OC(C)(C)C)C(F)(F)F)nc1B1OC(C)(C)C(C)(C)O1 2282548326 WWNBMWNMCTZEMB-GFCCVEGCSA-N 476.305 2.152 30 10 JEEE CCn1cc(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 2282586578 ACIQGKBDBOPZNY-JKSUJKDBSA-N 466.363 2.280 30 10 JEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CCN(Cc3ccccc3)C3(CC3)C2)n1 2282618920 VHMZAJIOEWRDAU-GOSISDBHSA-N 451.380 2.041 30 10 JEEE C[C@@H]1C[C@@H](NS(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CCN1Cc1ccccc1 2282853953 LMEPMFYDZHZRGJ-MJGOQNOKSA-N 474.436 2.051 30 10 JEEE C[C@@H]1CN(Cc2ccccc2)CCCN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282857239 FJICZYWWPWMFCJ-GOSISDBHSA-N 474.436 2.004 30 10 JEEE CC(C)(C)OC(=O)N[C@]1(C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C[C@@H](O)C1(C)C 2284050974 HEDHEELQBXKAPN-CMJOXMDJSA-N 461.368 2.374 30 10 JEEE C[C@@H](OCc1ccccc1)[C@@H](NS(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284411711 NQTIHHQCNASXDU-OXQOHEQNSA-N 475.372 2.323 30 10 JEEE Cn1nc(C(=O)N2C[C@H]3C[C@]3(CNC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2288261901 WSJLYQBPMXXWKN-DMZKTXOQSA-N 480.802 2.360 30 10 JEEE COc1nc(O[C@H]2COC[C@@H]2N(C)C(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2339825385 PGYKKNKWAXVNTA-HOTGVXAUSA-N 450.341 2.403 30 10 JEEE CC(C)(C)OC(=O)N1[C@H](CNC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C[C@@H]2OCC[C@H]21 2362570445 YJIFHXXGUUJGOM-IMJJTQAJSA-N 479.408 2.339 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@]12CC[C@@H](C1)N(C(=O)OC(C)(C)C)C2 2369667358 LUYATGLCSVXNNK-WNSKOXEYSA-N 460.384 2.474 30 10 JEEE C=CCN1C(=O)/C(=C\c2c(N3CCC(C(N)=O)CC3)nc3c(C)cccn3c2=O)SC1=S 33363265 LEJJOHIKZSBYEH-FOWTUZBSSA-N 469.592 2.092 30 10 JEEE CCCOc1ccc([C@H]2c3c(nc(N4CCC5(CC4)OCCO5)[nH]c3=O)NC(=O)[C@@H]2C#N)cc1 72444229 DHVJRCCHGZLLMH-QZTJIDSGSA-N 465.510 2.126 30 10 JEEE C=CCN(Cc1cccc([N+](=O)[O-])c1)Cn1nc(C[C@@H]2CCS(=O)(=O)C2)n(C)c1=S 745155204 KGAIUBZBKRBBBL-INIZCTEOSA-N 451.574 2.482 30 10 JEEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@](C)(C(N)=O)c2cccc(C(F)(F)F)c2)c1 1148294818 OMKVXKNKXUBDBH-LJQANCHMSA-N 455.458 2.300 30 10 JEEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCC[C@@H](C(=O)N[C@H]4CCC[C@@H](O)C4)C3)n[nH]2)c1C 1154356063 PYRPTGLERZTDHO-CEXWTWQISA-N 454.575 2.348 30 10 JEEE C#CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1286345260 MIYZYNZQVVFSSA-UHFFFAOYSA-N 475.553 2.196 30 10 JEEE C#CCN(c1nnc(-c2cc3ccccc3o2)n1C[C@@](C)(O)CCOC)[C@@H]1CCS(=O)(=O)C1 1286382479 JHPYMBXWVKUXRW-JPYJTQIMSA-N 472.567 2.106 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H](CCC)OC)[C@@H]1CCS(=O)(=O)C1 1286384776 RYNIBAZJKSUNHI-RTBURBONSA-N 461.544 2.295 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H](C)Oc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1286387482 RTHLGGRIQJXZDB-MOPGFXCFSA-N 481.578 2.443 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1CCc1ccccn1)[C@H]1CCS(=O)(=O)C1 1286388398 OORUYPMQQUZEGR-IBGZPJMESA-N 481.578 2.227 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cccc(SCC)c2)CC1 1286480550 NRAMIBQWRCUPCC-LJQANCHMSA-N 459.641 2.096 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@]2(N(C)C)CCC[C@H](C)C2)CC1 1286485721 VRMVNUKFGDGIOW-UEOMBKFZSA-N 458.651 2.268 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@H](C)CNC(=O)OC(C)(C)C)CC1 1286491024 BCVSYASCJBYDIW-LJQANCHMSA-N 495.628 2.391 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCN2CCCC[C@@H]2CC)CC1 1286494095 RFOYAVDIGMUBJH-YADHBBJMSA-N 456.635 2.402 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H](NC(=O)OC(C)(C)C)C(C)C)CC1 1286494950 WHKPAFCCCKDPCV-VQTJNVASSA-N 488.633 2.297 30 10 JEEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1286511284 IDZWVUOIDPMJLN-UHFFFAOYSA-N 482.614 2.201 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C)(COC)CC1 1286554166 GXHBSTMOMDFHIT-QRVBRYPASA-N 452.621 2.414 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1CCS(=O)(=O)C1 1286570220 QHXJNRRWYDRHAT-QGZVFWFLSA-N 480.660 2.384 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC([C@H](O)c2ccc(F)cc2)CC1 1286592451 GGAABTJXGQITGE-LEWJYISDSA-N 493.605 2.276 30 10 JEEE C=C(C)COCCn1c(Cc2ccccc2F)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1286609870 STORIZBSPVFABF-GOSISDBHSA-N 468.537 2.133 30 10 JEEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@H]1CCN(Cc2ccccc2)C1 1286621100 ZTXUAUOIEKDZCJ-WMZOPIPTSA-N 453.012 2.352 30 10 JEEE C=C1CCN(c2nnc(CNC(=O)c3cccs3)n2CCCN2CCC[C@H]2C(=O)N(C)C)CC1 1286648945 RBUSXLIGUSAJSH-IBGZPJMESA-N 485.658 2.369 30 10 JEEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 1286705635 BNCSRLYIDTZFHB-DLBZAZTESA-N 450.584 2.358 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1)C(C)C 1286751003 KUNQRLHOHKQQED-QHAWAJNXSA-N 468.606 2.312 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1286784827 VBMHRHOLIWLCEG-UHFFFAOYSA-N 481.022 2.151 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CCN(CC(F)(F)F)CC1 1286822959 JNNSYFMWVBJIRT-UHFFFAOYSA-N 487.548 2.451 30 10 JEEE CC(C)OC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCSCC2)CCO1 1288353090 HXZMJYFHSYAANU-NRFANRHFSA-N 456.616 2.496 30 10 JEEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(C(C)(C)C)n1CC[S@](=O)C(C)(C)C 1291194888 GVHWSBLMEXITLJ-FTDQSSOUSA-N 458.636 2.500 30 10 JEEE CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(C)n(C)c1=O 1297652520 BDLWREFNHVWHEW-QGZVFWFLSA-N 468.583 2.132 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2oc(CC)nc2C)c1 1300334221 IPZBRULUCQJKFG-GOSISDBHSA-N 496.593 2.144 30 10 JEEE C#CCN(c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1300483456 LRVZLZVJVFLICV-YJBOKZPZSA-N 479.400 2.371 30 10 JEEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(F)cc1C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1300491969 KJXUAUJXCZADSB-RDJZCZTQSA-N 499.490 2.062 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1Cc1cccnc1OC)[C@@H]1CCS(=O)(=O)C1 1300499509 SWQMTRQYPWQBPS-OAQYLSRUSA-N 465.579 2.256 30 10 JEEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CC[C@@H](F)C1)[C@@H]1CCS(=O)(=O)C1 1300504624 PEFXHFRJYUJQQL-BRWVUGGUSA-N 479.603 2.035 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H]1CC[C@]2(CCOC2)O1 1300655052 NSSZLVYACIJRRR-YADARESESA-N 456.543 2.386 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3OCC)n2CC(=O)NC2CCCCC2)CC1 1300710308 ZWLAKLJVGXZHFE-UHFFFAOYSA-N 480.613 2.460 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCCCN2CCC(C)CC2)CC1 1300719541 GDKYZHMBGWLJTD-UHFFFAOYSA-N 466.634 2.157 30 10 JEEE C#CCSCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(CC(=O)N(C)C)CC1 1300741471 XRYYQKXUHXHMCK-SFHVURJKSA-N 474.606 2.134 30 10 JEEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1300983775 PNAVUJRZKBLRII-GOSISDBHSA-N 461.567 2.001 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC(OCC(N)=O)CC1 1301575122 BNVKACSKNQJIPS-UHFFFAOYSA-N 489.642 2.314 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1301575987 OJDYJRLPGRKYCS-GSHUGGBRSA-N 491.570 2.227 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)C1CCCCC1 1301589604 UMWYLCNRQLDSEQ-WMZOPIPTSA-N 458.650 2.186 30 10 JEEE CS(=O)(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCCCC2)CC1 1302474420 ABDPNFHCNAHTSO-UHFFFAOYSA-N 471.631 2.164 30 10 JEEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](N2CCOCC2)C(F)(F)F)CCO1 1305142255 HZIBCLDBWFQJHR-QAPCUYQASA-N 450.465 2.305 30 10 JEEE CCC[C@@H](C)C(=O)NCCn1c(Cc2ccncc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1306549279 FVLXPBUKLHOVCA-HXUWFJFHSA-N 487.612 2.410 30 10 JEEE COC(=O)C1(C#N)CCN(C(=O)NCc2ccccc2NS(=O)(=O)c2ccccc2)CC1 1311834285 FYGREGNSRDSIKP-UHFFFAOYSA-N 456.524 2.476 30 10 JEEE CCN1CCN(C[C@@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCn2cccn2)CC1 1313948059 BMAHWKNJHSPIIG-OAQYLSRUSA-N 461.618 2.423 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H](C)N(C)C1CC1)[C@@H]1CCS(=O)(=O)C1 1358954894 AFTDAQFGEGETMG-DENIHFKCSA-N 498.653 2.257 30 10 JEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CC1(CCOC)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1358955817 UOIBTJUIOGGXEK-HXUWFJFHSA-N 491.658 2.128 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@@H](C1CC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1358967207 GAAKKFHVSLIOOV-UNMCSNQZSA-N 471.627 2.132 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccnc(OC(F)F)c1 1358972152 VYPNBFMXWXQYSF-UHFFFAOYSA-N 471.489 2.466 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@H]2CCOC[C@H]2OC)CC1 1359031286 WOKVURCFBNFLGP-UYAOXDASSA-N 461.513 2.353 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCNC(=O)c2cccs2)CC1 1359032343 LDTQJFPBUWCBHV-UHFFFAOYSA-N 455.975 2.240 30 10 JEEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CCCOCC2CCOCC2)CC1 1359037860 ZVUFJOWZIWCDLM-UHFFFAOYSA-N 458.632 2.222 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1359099673 RJGKGQQBDSNOBQ-DENIHFKCSA-N 491.662 2.011 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC[C@@H](CC(N)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1359106231 ZGTVHJGTUHJACZ-ORVPSHMPSA-N 461.607 2.392 30 10 JEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cc3c(cc2OC)C[C@H](C)O3)CC1 1359159120 NRNAMFNVIRDKCM-HOTGVXAUSA-N 461.588 2.425 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC=CO1 1359259437 WKMWXHXJWYAPRU-RTWAWAEBSA-N 473.599 2.496 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C(C)C 1359291207 IEVOGTUYSSDHDB-UHFFFAOYSA-N 455.519 2.140 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)C[C@H]1CCCO1 1359299836 OEFHKPLTXJSEDW-QZTJIDSGSA-N 462.595 2.310 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(C(=O)NCc2ccc(F)cc2)CC1 1359300057 SJRFWDZOZKFWTE-HXUWFJFHSA-N 484.576 2.146 30 10 JEEE C=CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(NS(C)(=O)=O)CC1 1359339643 MYCYAEHLVOVCGK-UHFFFAOYSA-N 465.601 2.111 30 10 JEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CCOC3(CC(C(=O)OC)C3)C2)cc1 1465259029 IRCFJFCRMHXNDZ-LBKMDBTOSA-N 451.545 2.115 30 10 JEEE CCC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCOCC2)CCO1 1500283336 GOJSLRRXDRQFQE-JOCHJYFZSA-N 454.575 2.456 30 10 JEEE Cn1ncc(CCCn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C(=O)C(C)(C)C)CC2)n1 1503691474 IEABZHVWMNPWEJ-UHFFFAOYSA-N 491.600 2.185 30 10 JEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(CO)(Cc2ccccc2)CC1 1507575130 QNGKOBWUFVMIRO-LJQANCHMSA-N 459.616 2.123 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CC1(C(N)=O)CCCC1)[C@H]1CCS(=O)(=O)C1 1507626176 DGQWBBKENSZUOP-SFHVURJKSA-N 476.002 2.271 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCc1ccc(N(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 1507632164 JLPITYLHTIODAP-FGZHOGPDSA-N 471.627 2.455 30 10 JEEE C#CCN(c1nnc(CSc2ccc(C)cc2)n1CC[S@](=O)CC)[C@H]1CCS(=O)(=O)C1 1507638413 QMBDPIPLZGHVOM-YVGXBJCXSA-N 480.681 2.274 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CC(C)(C)OCC)CC1 1507735298 RDDYPWAJRKHRIP-UHFFFAOYSA-N 467.570 2.497 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1507915805 FJWVWJXKBXZVGF-FHWLQOOXSA-N 468.668 2.132 30 10 JEEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc(CS(C)(=O)=O)cc1 1507977997 CQTOYEQIGXQLKW-UHFFFAOYSA-N 488.639 2.453 30 10 JEEE C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1508050386 YHOLNSMQKSNCDT-KSSFIOAISA-N 462.396 2.211 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1508075882 XYMMFNAKWLXLJE-OAHLLOKOSA-N 470.965 2.475 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(Cc2cc(C)no2)CC1 1508090399 HRMBRGWNFFWJMV-UHFFFAOYSA-N 479.585 2.395 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(F)(F)C2)cc1 1508101139 VEFFZWWZARGFTI-SFHVURJKSA-N 483.541 2.070 30 10 JEEE CC(C)CO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)NC(C)C)C1 1509462898 CQYGFXOAGKPNAS-HXUWFJFHSA-N 460.604 2.396 30 10 JEEE Cc1nn(C)c(N2CCN(c3nnc(CC(C)C)n3CCOc3ncccc3F)CC2)c1C#N 1511661082 CEGMWGFDXAKMQE-UHFFFAOYSA-N 467.553 2.330 30 10 JEEE CN(C)C(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1516961647 COODOSXWSHKBLF-GOSISDBHSA-N 453.547 2.398 30 10 JEEE C#CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCCN(CCC)C(=O)C1 1539096322 XVCVVBZYAJGTIT-UHFFFAOYSA-N 471.631 2.409 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccc(C)nc1)[C@@H]1CCS(=O)(=O)C1 1539205042 FRDSHKSRYFTORU-QGZVFWFLSA-N 489.399 2.414 30 10 JEEE C#CCN(c1nnc(-c2ccccc2F)n1CCNC(=O)[C@@H](C)CCC)[C@H]1CCS(=O)(=O)C1 1539212762 XUGXHAUJTIFSSH-ROUUACIJSA-N 475.590 2.263 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@H](C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 1539229633 FSCKGVCSROPHOO-UXHICEINSA-N 489.617 2.355 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@H]1CCCN(C(C)=O)C1 1539259876 JUKCZSXMSAWVIB-NRFANRHFSA-N 485.592 2.396 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccn2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1539627089 HWRRKNUNBJPCJQ-ZVDOUQERSA-N 474.631 2.429 30 10 JEEE C=CCCOCCn1c(-c2cccc(OC)c2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1540021869 ZHYIJRXQNJJLJU-UHFFFAOYSA-N 451.531 2.133 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(F)(F)CC2)cc1 1540877909 JCTWJBHXNXRAOD-IBGZPJMESA-N 497.568 2.460 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1540900672 DHKDLWALOPIUST-FQEVSTJZSA-N 485.031 2.214 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N(C)[C@@H](C)c1ccc([S@@](C)=O)cc1 1540901466 FAMXLBPCJVAELT-AZYRPFHASA-N 474.612 2.271 30 10 JEEE CC(C)(C)OC(=O)NCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C#N)C1 1541218035 FTGNJNHGQBEVNF-KRWDZBQOSA-N 489.964 2.115 30 10 JEEE CCN1CCN(CCCn2c(N3CCN(c4ccc(C#N)cn4)CC3)nnc2C(C)(C)C)CC1 1547734730 BWGLJUSQFHMRLZ-UHFFFAOYSA-N 465.650 2.196 30 10 JEEE COCCNC(=O)[C@H]1CN(C(=O)NCC(C)C)CCN1c1ccc(C#N)c(C(F)(F)F)c1 1548368107 UBBMVZKBFVSIIZ-GOSISDBHSA-N 455.481 2.196 30 10 JEEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3F)C2=O)c1 1587010904 LDNYWPNQMUOXBY-QGZVFWFLSA-N 451.907 2.479 30 10 JEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H](c1ccco1)N(C)C 1588138766 IVOCWPBVDQHWNR-NRFANRHFSA-N 458.570 2.421 30 10 JEEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(N2CCOCC2)cc1 1588250327 CNWCYEDUFSUOSC-UHFFFAOYSA-N 457.582 2.488 30 10 JEEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(C(N)=O)cc1 1588399003 LFVJVMBFJCPCAM-LJQANCHMSA-N 468.558 2.193 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2(COC)CCCCC2)CC1 1588732856 IAJJWNDLFLUGID-UHFFFAOYSA-N 451.575 2.278 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](CC=C)c2ccccc2)CC1 1588742968 WGQRZHXFQVNVIE-FPOVZHCZSA-N 456.616 2.003 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OCCCC)c(OC)c3)n2C[C@@]2(C)CN(C)C2=O)CC1 1588791561 ZLCAWOLSNOKWOC-AREMUKBSSA-N 480.613 2.366 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2CCOc2ncccc2F)CC1 1588871503 FVSWEIJXQUUJGW-UHFFFAOYSA-N 454.481 2.365 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCCCN2CCC)CC1 1588884787 NGHXPUVTKCCYMB-NRFANRHFSA-N 492.628 2.156 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCc2cc(C(F)(F)F)ccn2)CC1 1588930025 LHWHWJISNYZLPA-KRWDZBQOSA-N 476.503 2.404 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2Cc2nnc(C(C)(C)C)s2)CC1 1588930098 NLPWRARIYJIFSY-KRWDZBQOSA-N 471.631 2.335 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCc2ccn(C)n2)CC1 1588967966 CMANUIHZUHLKOC-NHCUHLMSSA-N 467.618 2.139 30 10 JEEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1589133878 AXUSDFQHVJUUPQ-HXUWFJFHSA-N 460.648 2.021 30 10 JEEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 1594783802 IZLJKJPKEAOYTF-LJQANCHMSA-N 460.623 2.486 30 10 JEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C)(c2nc(C)no2)CC1 1594812612 HXDICEZGMXBTIQ-KRWDZBQOSA-N 464.592 2.022 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1595467380 SSMKZNFZZMOQEH-CEYNDMKZSA-N 482.585 2.222 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1595555609 FBZQBXVCMDDQLI-FQEVSTJZSA-N 467.549 2.029 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@H]1CC 1595788537 BYSVVBOYQMYMDI-MRXNPFEDSA-N 466.633 2.218 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(C)=C(C)C1 1595788769 JCYXPQUKHBWAGP-UHFFFAOYSA-N 468.583 2.339 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CC1CC1 1595805669 SCQONSGCMWINMC-QGZVFWFLSA-N 469.608 2.034 30 10 JEEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccn(-c2ccc(F)cc2)n1 1611307350 BFXFBWBJMFKOMP-SJORKVTESA-N 471.562 2.486 30 10 JEEE COC(=O)Cc1cc(OC)ccc1S(=O)(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 1655847396 AGAHPYAKIFHGCY-UHFFFAOYSA-N 457.552 2.225 30 10 JEEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC(n3cnc(C(N)=O)c3N)CC2)cc1 1667785976 JTZIWDUFEYDOMZ-UHFFFAOYSA-N 451.531 2.247 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2C[C@]2(O)CCSC2)c1 1689871683 BPJSNVXNTNQNKQ-XMMPIXPASA-N 462.579 2.188 30 10 JEEE C#CCN(c1nnc(-c2cc(F)ccc2Br)n1CC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1689983057 ZUMDGLGSCCGCSC-AWEZNQCLSA-N 485.379 2.244 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCOc2cccc(F)c2)CC1 1690146782 WQJFKAXFHFGCPN-LJQANCHMSA-N 455.534 2.356 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2CC[C@H]2CCO[C@@H](C)C2)CC1 1690152735 WIUJINDQDMCVKT-OALUTQOASA-N 498.653 2.441 30 10 JEEE C#CCSCCn1c(COc2ccccc2OC)nnc1N1CCN(C(=O)NCC)CC1 1690183883 ACNPPLNEWOSDOW-UHFFFAOYSA-N 458.588 2.084 30 10 JEEE C=CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1690467277 RKADKZLXHFHABA-UHFFFAOYSA-N 463.590 2.317 30 10 JEEE C=CCCOCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(C(=O)OC)CC1 1690497078 GYAAXRNOIMDXAJ-UHFFFAOYSA-N 476.965 2.343 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(F)cccc1OC(F)F 1690527737 RZTUMDXVJBAAFF-INIZCTEOSA-N 475.493 2.022 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](c2ccccc2Br)C1 1690668855 LWPMNPMSPHKVPO-SFHVURJKSA-N 486.374 2.321 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCCN(C(=O)c2cccc(F)c2)CC1 1690672991 KIEDJRZADXGGGE-UHFFFAOYSA-N 477.544 2.058 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCN(c2ncccc2F)CC1 1690726566 DSJGUEAVTBTQOX-UHFFFAOYSA-N 491.618 2.095 30 10 JEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cnn(-c2ccccc2)n1 1690745023 WIKONIJMXLPVIO-QGZVFWFLSA-N 473.628 2.317 30 10 JEEE CS(=O)(=O)CCN(c1nnc(-c2ccc(C#N)cc2)n1Cc1nccn1C(F)F)C1CC1 1698305611 DJPUCIACNRCFAQ-UHFFFAOYSA-N 461.498 2.470 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2ccc(F)cc2F)CC1 1705494872 HPBHHPNFHACNQS-BEFAXECRSA-N 479.553 2.079 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCc1cccc(OCC)c1)[C@@H]1CCS(=O)(=O)C1 1705565344 HTEAKNKXOGXVPW-WOJBJXKFSA-N 458.584 2.050 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1CCN1CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1705565817 WNWMOUXMJGTNGV-MOPGFXCFSA-N 457.600 2.065 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1Cc1ccc(NC(C)=O)nc1 1705628943 SVCIDIVRGZWGLQ-NRFANRHFSA-N 462.510 2.278 30 10 JEEE C#CCN(CCOC)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCN(C(C)=O)C1 1705629923 ADHVLTWXJUVVEO-NRFANRHFSA-N 450.543 2.073 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccn3C)n2Cc2cccnc2OCC(F)(F)F)CC1 1705637952 SFEKPUYIKCLAFD-UHFFFAOYSA-N 459.476 2.423 30 10 JEEE C#CCSCCn1c(COc2ccccc2OC)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1705666596 WMQGXWGTHZUURU-LJQANCHMSA-N 452.584 2.409 30 10 JEEE C=CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C2CC2)C(=O)C1 1705819557 OHONHCVGTNYSDZ-GOSISDBHSA-N 460.579 2.364 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CCN2C(=O)NC[C@@H]2C1)C(C)C 1705867428 NOEYNXZHOVYZSQ-NJDAHSKKSA-N 457.623 2.432 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c(N2CCN(S(C)(=O)=O)CC2)nnc1C(C)(C)C)C(C)C 1705869132 MRVLYSZYEIAMOJ-LJQANCHMSA-N 452.669 2.356 30 10 JEEE C=CCn1c(Cc2c(F)cccc2F)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1705891329 WFJMFERRHQDQOQ-UHFFFAOYSA-N 472.540 2.273 30 10 JEEE C=CCNC(=O)Cn1c(Cn2ccc3ccccc32)nnc1N(C)CC1COC(C)(C)OC1 1705907440 MVMGISJDCGQBKT-UHFFFAOYSA-N 452.559 2.419 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC(O)(Cc3cccc(C)c3)CC2)nnc1[C@]1(OCC)CCOC1 1705907950 CPFDWVFYVKMOHF-SANMLTNESA-N 483.613 2.115 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1705935626 XICOFEHXXLSTNW-SJORKVTESA-N 466.947 2.237 30 10 JEEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1705942983 KQTHMRAWRQZLBE-IBGZPJMESA-N 470.647 2.177 30 10 JEEE C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CCC(=O)NC(C)(C)C 1706081140 BQYKVXQVVWSLNJ-HZPDHXFCSA-N 460.604 2.379 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CCC(F)(F)C2)c1 1722305596 SJXCYDWDTRTBAM-NVXWUHKLSA-N 494.568 2.380 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OCC)CCOC3)n2C[C@H]2OCC[C@H]2C)c1 1722305946 WUBFBPAEZRNFMR-JYMRHQFYSA-N 467.570 2.411 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@]1(O)CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1722358671 FBOSZWGXPHMQMR-GEQKSPFYSA-N 458.584 2.132 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCC[C@@H]1OC)[C@@H]1CCS(=O)(=O)C1 1722362791 BYFKFDVQYZLECX-LESCRADOSA-N 496.431 2.478 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1722363471 FYUXBTXXFJGLOU-KPFFTGBYSA-N 495.001 2.114 30 10 JEEE C#CCN(c1nnc(CC)n1Cc1ccc(OCC(F)(F)F)cc1)[C@H]1CCS(=O)(=O)C1 1722369102 YLNOJGBBNVZRBA-INIZCTEOSA-N 456.490 2.457 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(N2CCSCC2)CCCC1 1722396449 IKHMLCPDUIEWKO-HXUWFJFHSA-N 475.684 2.005 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOCC(F)F 1722420318 HDFZNRKGRHBXQW-INIZCTEOSA-N 456.490 2.241 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N(CC)[C@H]2CCS(=O)(=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1722498827 FHGHTLXXPQRIAP-NVJIOZQYSA-N 482.647 2.313 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1722584045 RPXIEFNAEMGLCK-HXUWFJFHSA-N 495.738 2.485 30 10 JEEE C=CCC(C)(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1722588485 UEIKKHWCKRUGIB-UHFFFAOYSA-N 498.603 2.118 30 10 JEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)c1cc(OC)cc(OC)c1 1722619013 YDDYUZMQSUMILO-IBGZPJMESA-N 465.576 2.362 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](c2cccc(F)c2)C1 1722729147 XAIADIHJBVYHDJ-QUCCMNQESA-N 464.563 2.490 30 10 JEEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCS[C@@H](C)[C@H]1C 1722730012 FOSNENSFJSORGA-CABCVRRESA-N 469.658 2.201 30 10 JEEE C=CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(NC(C)=O)CC1 1722735082 LZOIUMWMYLIVCV-UHFFFAOYSA-N 463.629 2.373 30 10 JEEE CN(C)C(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1729300325 ANVATUFPQXMDNN-IBGZPJMESA-N 458.588 2.089 30 10 JEEE COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)N2CCC(C)CC2)CC1 1730418418 HGGLCWSHVKEHEJ-HXUWFJFHSA-N 465.602 2.232 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1[C@H]1C[C@H](c2ccc(F)cc2)C1 1740552983 PTYYJMNKAAUBET-QOJCHSLYSA-N 461.563 2.327 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H](c1cccc(F)c1)N(C)C)[C@H]1CCS(=O)(=O)C1 1740621298 LGNNFNZDADMWBG-FCHUYYIVSA-N 482.585 2.409 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCCNC(=O)OC(C)(C)C 1740634325 CKNFDCKESQOLMK-UHFFFAOYSA-N 475.557 2.299 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccc(OCCC)nc2)CC1 1740709418 GFOBWYPPJCJVTQ-HXUWFJFHSA-N 452.559 2.328 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccccc2F)nnc1N1CCN(S(C)(=O)=O)CC1 1740765814 CRQYIYYULGMLGI-LAUBAEHRSA-N 479.578 2.059 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1740987965 PKDIBLUWWNYTES-HSZRJFAPSA-N 497.669 2.022 30 10 JEEE CC(C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCC[C@H]2C)CC1 1741703847 GBKCMLSXEWJYPE-CLOONOSVSA-N 465.602 2.014 30 10 JEEE C#CCCCn1c(N2CCC[C@@H](CNS(C)(=O)=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1748764890 ZKPWMJROCNFYFV-GBESFXJTSA-N 494.662 2.228 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2CCN2CCC[C@H]2C)CC1 1749015327 DAHGMPVUVZXGQF-OAQYLSRUSA-N 464.614 2.350 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCCNS(C)(=O)=O 1749056121 AFCSVXSYMSRENE-JOCHJYFZSA-N 453.572 2.267 30 10 JEEE C=C(Br)Cn1c(-c2cnccn2)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1749095744 BBXVCDDEAWGBMT-ZDUSSCGKSA-N 460.340 2.218 30 10 JEEE C=C(C)COCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCNC(=O)C1 1749219290 CETFFCRSILUKJQ-UHFFFAOYSA-N 450.337 2.245 30 10 JEEE C=C(C)COCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(C(=O)OC)CC1 1749223092 PMZRQKDQLLYICB-UHFFFAOYSA-N 466.542 2.174 30 10 JEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1749676294 LGXSKSAPGHILEW-UHFFFAOYSA-N 483.598 2.108 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2CCCCS2(=O)=O)C1 1749695628 GCCQDHCXVVGBIE-ICSRJNTNSA-N 494.639 2.097 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCc1cccs1 1750966056 AWCPBGGZGFXPPK-INIZCTEOSA-N 465.587 2.097 30 10 JEEE C#CCCCn1c(COc2ccc(C)cc2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1760159077 WKUDRXAJFCRTIO-UHFFFAOYSA-N 459.554 2.399 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC1=CCCOC1)[C@H]1CCS(=O)(=O)C1 1760182587 KYNHSIMZUDTOHK-NRFANRHFSA-N 483.594 2.121 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1cccc(CN2CCO[C@@H](C)C2)c1)[C@H]1CCS(=O)(=O)C1 1760183537 QWWURJRWJYVPBQ-REWPJTCUSA-N 499.681 2.471 30 10 JEEE C#CCSCCn1c(N2CCN3C(=O)OC[C@@]3(C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1760286718 SMDSDSLDAUCKEA-SAHWJRBASA-N 490.630 2.446 30 10 JEEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1760346364 VMQOFMGHYIUVSN-IKGGRYGDSA-N 471.624 2.420 30 10 JEEE C=C(Cl)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1760367990 WNRWHBITFXCISD-LJQANCHMSA-N 456.978 2.500 30 10 JEEE C=CCn1c(-c2cccn2C)nnc1N1C[C@H](NC(=O)OC(C)(C)C)C2(CCS(=O)(=O)CC2)C1 1760508538 PSMSKYBPNSXQQC-SFHVURJKSA-N 490.630 2.378 30 10 JEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1csc(Br)c1 1760510048 CWZFCVUXJUKIRV-ZDUSSCGKSA-N 476.422 2.257 30 10 JEEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1760523135 NDNQZSAHMFTVHS-QZTJIDSGSA-N 479.585 2.096 30 10 JEEE COc1cc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2CCCNC=O)ccc1O 1862756854 SJAXICYSSYWFCB-LJQANCHMSA-N 455.423 2.023 30 10 JEEE C=CCOc1ccccc1[C@@H]1C(C(=O)NCCCN2CCOCC2)=C(N)Oc2c1c(CCC)nn2C 1864320355 QARCLOZWCCTLLR-QFIPXVFZSA-N 495.624 2.471 30 10 JEEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccccc1OC 1865724510 PWRJNBZUEWWKDX-GOSISDBHSA-N 470.570 2.264 30 10 JEEE CC(=O)Oc1ccc(C[C@@H](NC(=O)CC[C@@H]2CCS(=O)(=O)C2)C(=O)Nc2cccc(C#N)c2)cc1 1866930196 ZDIZPAFCCSLAMZ-AUSIDOKSSA-N 497.573 2.364 30 10 JEEE COc1ccc(OC)c(/C=C/C(=O)Nc2c(C#N)nnn2-c2ccc3c(c2)C(=O)N(C)C3=O)c1 1870152908 RGQLTCCWUNVQLX-RUDMXATFSA-N 458.434 2.034 30 10 JEEE C=CCN=c1nc(N2CCN(c3ccc(F)cc3)CC2)[nH]c(=Nc2ccc3c(c2)OCCO3)[nH]1 1871711965 XSGGPSVVQCWSCM-UHFFFAOYSA-N 463.517 2.294 30 10 JEEE COc1ccc(N2C[C@H](c3nnc(SCC(N)=O)n3/N=C/c3ccc([N+](=O)[O-])cc3)CC2=O)cc1 1874199249 JQBAPOXFBNOAPW-SWKNLOBNSA-N 495.521 2.175 30 10 JEEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)N3CCCN(c4ccc5nncn5n4)CC3)n[nH]2)c1C 1890265321 FTPQMHVQOKOJMA-UHFFFAOYSA-N 460.546 2.256 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](O)CN1C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C 2067396832 QHDUHORGZMZDED-ULQDDVLXSA-N 454.568 2.450 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NC2(CO)CCN(C(=O)OC(C)(C)C)CC2)C1 2255201751 XFENSZGHFYFVFC-UHFFFAOYSA-N 451.564 2.171 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@H](CNC(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2255533820 YQCFVKABMWMWFG-CQSZACIVSA-N 452.382 2.413 30 10 JEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NCCN(C[C@@H](C)O)C(=O)OC(C)(C)C 2267004754 HUUIKLFATDNCFT-CQSZACIVSA-N 452.357 2.235 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@](C)(CNC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2267175162 YWZBUYCIYFMDPW-OAQYLSRUSA-N 467.397 2.198 30 10 JEEE CC(C)(C)OC(=O)NCCN(CCO)C(=O)c1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2267454518 SITMTOHHZHZFOU-UHFFFAOYSA-N 452.332 2.084 30 10 JEEE CC1(C)OB(c2cc(S(=O)(=O)N(CCC(N)=O)Cc3ccccc3)ccc2F)OC1(C)C 2267467477 NWVGKCCSINFDIB-UHFFFAOYSA-N 462.352 2.191 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]1NS(=O)(=O)c1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2267702516 HYDVJHQEMHBATH-BBRMVZONSA-N 470.372 2.316 30 10 JEEE CN(Cc1sccc1B1OC(C)(C)C(C)(C)O1)C(=O)[C@@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C 2268628685 LJTYJQGIFQHXDL-ZBFHGGJFSA-N 466.409 2.376 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@](O)(CC(=O)NCc2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2268679295 DMVBCGHDVBKRCZ-JOCHJYFZSA-N 466.409 2.426 30 10 JEEE Cn1cc(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)n1 2281970353 DCBVCQHWMRZAML-JYJNAYRXSA-N 460.384 2.237 30 10 JEEE Cc1nn(C)c(C(=O)N2C[C@H]3CC[C@H]2[C@@H]3NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2281976539 CTQSWGCPSBLBNH-HLLBOEOZSA-N 460.384 2.155 30 10 JEEE COc1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCCNOCc2ccccc2)cc1OC 2281997237 ZAZVNWGODDODHY-UHFFFAOYSA-N 456.348 2.454 30 10 JEEE Cn1nc(C(=O)NC[C@H]2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2282053967 YWQRALRKSGOOGY-ZSOGYDGISA-N 480.802 2.215 30 10 JEEE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1N(C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2282061835 PTUXEHAAITZEEB-WBVHZDCISA-N 462.400 2.437 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NCC1(CO)CN(C(=O)OC(C)(C)C)C1 2282108423 YAPZUJDIYXWOFJ-UHFFFAOYSA-N 460.380 2.253 30 10 JEEE CN(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)C1(CNC(=O)OC(C)(C)C)CCCC1 2282174066 CYNRUOLMHQXPTB-UHFFFAOYSA-N 463.388 2.024 30 10 JEEE CC1(C)OB(c2cccc(S(=O)(=O)NC[C@@H]3CCCCN3C(=O)C(F)(F)F)c2)OC1(C)C 2282335310 NVKWALUBMYESGB-HNNXBMFYSA-N 476.326 2.208 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(NS(=O)(=O)c2ccc(F)cc2B2OC(C)(C)C(C)(C)O2)C1 2282508547 XUGHFBQBPJPPEH-JLCFBVMHSA-N 482.383 2.413 30 10 JEEE Cc1nn(C)c(C(=O)N2C[C@@H](C)[C@@H](CNC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2282556485 IWBOZBCOJCSPDU-ZBFHGGJFSA-N 462.400 2.261 30 10 JEEE Cn1ncc(C(=O)N[C@@H]2CC23CCN(C(=O)OC(C)(C)C)CC3)c1B1OC(C)(C)C(C)(C)O1 2282569486 SCWFDGOVRYVVLL-MRXNPFEDSA-N 460.384 2.239 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(C(=O)NCC2(O)CC(NC(=O)OC(C)(C)C)C2)c1 2282680810 ARVAKBBVWIIATG-UHFFFAOYSA-N 460.380 2.442 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C2(CCC2)C1 2283063467 RUBXHYLJNWROOD-HNNXBMFYSA-N 458.368 2.295 30 10 JEEE CC(C)(C)OC(=O)N1CCC2(CC(NC(=O)c3nccnc3B3OC(C)(C)C(C)(C)O3)C2)C1 2283072525 QKTPFAGUULKDLK-UHFFFAOYSA-N 458.368 2.295 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CCC(N)=O)C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)c1F 2284053776 SSBWMZBWKYXNIW-HNNXBMFYSA-N 465.331 2.222 30 10 JEEE CC(C)(C)OC(=O)N1CC(O)([C@@H](F)C(=O)Nc2ccc(F)c(B3OC(C)(C)C(C)(C)O3)c2)C1 2284059742 VLHAOJPOFFPVFY-INIZCTEOSA-N 468.306 2.383 30 10 JEEE COc1ccc(C(O)=C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(O)c(OC)c2)c(C)c1 2296125585 IDLMCMDFUATABP-HSZRJFAPSA-N 482.533 2.472 30 10 JEEE COC(=O)C1(Nc2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)CN(C(=O)OC(C)(C)C)C1 2345744364 AVGPKPKCYSMGOT-UHFFFAOYSA-N 451.304 2.094 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCC(N(C)C(=O)OC(C)(C)C)CC2)n1C 2362486857 LAKLYAFRDKYYOA-UHFFFAOYSA-N 462.400 2.499 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(C)C[C@H]2CCN(C(=O)OC(C)(C)C)C2)n1C 2362490345 RBSZTQDWAXHGFY-MRXNPFEDSA-N 462.400 2.357 30 10 JEEE COc1nc(N2CCN(C(=O)OC(C)(C)C)C[C@]2(C)CO)ccc1B1OC(C)(C)C(C)(C)O1 2365346433 UEWKVWYGQPGBMV-HSZRJFAPSA-N 463.384 2.198 30 10 JEEE CO[C@@H](CNC(=O)OC(C)(C)C)CNS(=O)(=O)c1ccc(C)cc1B1OC(C)(C)C(C)(C)O1 2365421200 FAIOROZPSMSELL-INIZCTEOSA-N 484.424 2.112 30 10 JEEE CCOc1ccc(NC(=O)CSc2nnc(N/N=C/c3ccc([N+](=O)[O-])cc3)n2N)cc1 20291974 VFQCHVUGGKZXBX-SRZZPIQSSA-N 456.488 2.476 30 10 JEEE C#CCOCCN(C)C(=O)c1cc(I)cc(I)c1O 688015927 CFHVPLBOWMEHKB-UHFFFAOYSA-N 485.059 2.323 30 10 JEEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 745277802 VARDXYBMZNQBSQ-UHFFFAOYSA-N 461.519 2.372 30 10 JEEE Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)OC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 853670929 ALZLJFKTSZKIGI-KRWDZBQOSA-N 495.561 2.488 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)O[C@@H](C(=O)N3CCC(C(=O)OC)CC3)C(C)C)cc2C1=O 876537691 ZNURUFKTSRIHMV-LJQANCHMSA-N 456.495 2.062 30 10 JEEE CCc1nnc(CN(CC)C(=O)CSc2n[nH]c(NN=Cc3ccccc3[N+](=O)[O-])n2)o1 1084074479 HFJSNUSAYLONTO-UHFFFAOYSA-N 459.492 2.245 30 10 JEEE COCCSc1nnc(NC(=O)CSc2n[nH]c(NN=Cc3ccc(C)o3)n2)s1 1084087102 DRUSNWUOKZOTNP-UHFFFAOYSA-N 454.563 2.473 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1286300542 BBELLFWOEIPWRD-CVEARBPZSA-N 496.431 2.359 30 10 JEEE C#CCCCCn1c(Cc2csc(C)n2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1286328740 PRLPECYEFRMXRC-XMSQKQJNSA-N 469.659 2.426 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCCCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1286391335 DTJBJMWPLDKXDE-RTWAWAEBSA-N 463.648 2.065 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2cc(F)ccc2OC)CC1 1286488882 WZHOUCQICXUMLK-AREMUKBSSA-N 499.587 2.481 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2Cc2cccn(CC)c2=O)CC1 1286494392 NJNOCGQPTVYWFA-UHFFFAOYSA-N 488.592 2.095 30 10 JEEE C#CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@@H](C(=O)NC)C1 1286497328 PQPTVIJPHCLENL-CQSZACIVSA-N 465.421 2.375 30 10 JEEE C=C(Br)Cn1c(CCc2ccc(OC)cc2)nnc1N(C)CC(=O)N1CCOCC1 1286543043 GSCDNDIWVWTSCV-UHFFFAOYSA-N 478.391 2.276 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1286554573 YMHGZCCNXHLNCX-QUCCMNQESA-N 470.574 2.001 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1286568171 XVYMSGNFXLFJLZ-UGKGYDQZSA-N 474.631 2.105 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CC2(CCOCC2)C1 1286582218 UIVVHYYZQGKBKQ-LJQANCHMSA-N 467.636 2.220 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc([S@](C)=O)cc1 1286607283 FCTGFSGXLRNCQF-JJCDCTGGSA-N 466.629 2.147 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)Cc2cccc(OC)c2)CC1 1286611179 FZFXEZOAKVNOHH-OAQYLSRUSA-N 469.586 2.275 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1286792614 DBNUKGJILCPBPQ-HXUWFJFHSA-N 467.599 2.492 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2ccnc(C)n2)CC1 1286816138 IWNLLZFMZVEGCE-UHFFFAOYSA-N 489.005 2.019 30 10 JEEE C=CCSCCn1c(N2CCN(c3ncccc3C#N)CC2)nnc1[C@]1(OCC)CCOC1 1286835985 DOMZTNBYCZKKDX-QHCPKHFHSA-N 469.615 2.443 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc2c(cc1OC(F)F)OCO2 1300307673 IETWACFOWHERHZ-QWHCGFSZSA-N 468.482 2.017 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc3ccccc3n2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1300569163 DOTRUIULEKAJIR-IBGZPJMESA-N 462.579 2.238 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(F)c(F)c1 1300806117 PXLCIHLWKDAYKV-SIKLNZKXSA-N 479.553 2.124 30 10 JEEE C=C(Cl)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)[C@H](C)CS(C)(=O)=O 1301033101 FEFCGMLHBLUOTE-CQSZACIVSA-N 464.979 2.297 30 10 JEEE C=CCCCCn1c(N2CCC([C@]3(C)NC(=O)NC3=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1301198327 HAJWGRWGOMEXPI-ZEQRLZLVSA-N 474.606 2.490 30 10 JEEE C=CCn1c(-c2ccc(Br)s2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1301438465 SIMFDHPQHHANAE-UHFFFAOYSA-N 467.393 2.128 30 10 JEEE C[C@H](CN1CCOCC1)Cn1c(-c2cccc(C#N)c2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1303753841 DVSWNPUIFBVDRJ-KNQAVFIVSA-N 486.642 2.189 30 10 JEEE CCS(=O)(=O)N(C)CCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2CC[C@H]1C2 1314541674 AAHYNLWCOHYQBQ-OALUTQOASA-N 458.588 2.389 30 10 JEEE COc1ccccc1Cc1nnc(N2CCO[C@@H](C#N)C2)n1CCn1cc(Br)cn1 1315630568 AVZRIXYGGJOVPK-KRWDZBQOSA-N 472.347 2.265 30 10 JEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](C(C)C)N1CCOCC1 1358949706 KOBFKVNQRUAIIP-WOJBJXKFSA-N 476.622 2.013 30 10 JEEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CCCc1ccccc1F)[C@H]1CCS(=O)(=O)C1 1358956254 CMYRSVMVSGNFSB-GBXCKJPGSA-N 490.601 2.329 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCCc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1358960534 GVQHKVXNPJPUQD-FQEVSTJZSA-N 456.547 2.077 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1CC[C@H](C)N(C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1358961371 XLURMDDMVFJOLY-UNMCSNQZSA-N 493.637 2.272 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2ncccc2N(C)C)CC1 1359041717 FXOXAWGWFUISTB-UHFFFAOYSA-N 488.552 2.328 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Br)cc3)n2CC(=O)N(C)CC)CC1 1359042128 SSJDLLJCRZJNSY-UHFFFAOYSA-N 487.402 2.152 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1OCCN(C)C 1359062983 ZWQLTXSVGHUVOW-RUZDIDTESA-N 450.587 2.495 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1CCc1ccc(OC)c(OC)c1OC 1359069485 NBSKBGMJJCXMOT-BXKMTCNYSA-N 453.543 2.490 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCC1CCOCC1 1359099610 QOHRLHGVZOGATC-AQNXPRMDSA-N 452.621 2.414 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CCOc2ccccc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1359103506 PCJFDTRXJGVNKQ-SSPYTLHUSA-N 469.586 2.222 30 10 JEEE C=CCN(c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1cc(C)nn1C)C1CC1 1359247516 FQCATFUTNPFXDX-UHFFFAOYSA-N 455.588 2.440 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCCN(CC)C(=O)C1 1359294395 SBRUKJLJIATCAR-MRXNPFEDSA-N 456.616 2.492 30 10 JEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](c2ccc(F)cc2)C1 1359304385 WYEKGLCIQKEFRS-HXUWFJFHSA-N 453.522 2.159 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2C[C@@H](OC(C)(C)C)[C@@H]2n2cccn2)s1 1449726689 NVHFUWIUCXAICW-GPMSIDNRSA-N 452.602 2.265 30 10 JEEE C#CCOc1ccccc1CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 1456447035 FVHXRHYVYBRZBW-GOSISDBHSA-N 457.508 2.324 30 10 JEEE CCOC(=O)N[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)C(=O)NC)C1 1502534278 DAQRGVVMLWAQQA-GOSISDBHSA-N 483.573 2.216 30 10 JEEE COCCN(c1nnc(COc2ccc(C#N)cc2)n1CC(=O)N1CCOCC1)[C@@H]1CC[C@H](C)C1 1504863347 DNYVGSCTCFVILO-PZJWPPBQSA-N 482.585 2.229 30 10 JEEE N#Cc1ccc(OCc2nnc(N3CC[C@@H](C4CCOCC4)C3)n2CC(=O)NCC(F)F)cc1 1505317636 APFVENFLASLEOE-GOSISDBHSA-N 474.512 2.363 30 10 JEEE C#CCN(c1nnc(-c2csc(N3CCOCC3)n2)n1CCCC(C)C)[C@H]1CCS(=O)(=O)C1 1507631365 OVSIVOJSLDBGQB-SFHVURJKSA-N 492.671 2.301 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCCOC1 1507711120 OFMBEGKIJGBSCW-OALUTQOASA-N 463.579 2.099 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCN2CCSCC2)CC1 1507719773 AVUDHWCPNFMFDR-IBGZPJMESA-N 458.607 2.361 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N2CCCCC2)CC1 1507735151 MCPVSVFFADLRDT-UHFFFAOYSA-N 473.581 2.185 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@@H](C)N2CCOCC2)CC1 1507741173 WAZDCQSVNFNGCO-JOCHJYFZSA-N 494.640 2.160 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CSc3ccc(C)cc3)n2CCCNC(C)=O)CC1 1507741362 QKCLQHMYXXXGCB-UHFFFAOYSA-N 468.627 2.371 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cc(F)cc(F)c1 1508018437 FEWYBCFCYWYWLS-LJQANCHMSA-N 467.542 2.310 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC(N2CCCNC2=O)CC1 1508076491 ULMKUKLZMCAQJF-KRWDZBQOSA-N 485.564 2.244 30 10 JEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N(C)C[C@H]1COc2ccccc2O1 1508086405 YVQUUDKVPLWXDF-KRWDZBQOSA-N 454.556 2.212 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)CCN2CCOC(C)(C)C2)cc1 1508100164 FPQFVAOZCNNQSV-NRFANRHFSA-N 468.602 2.389 30 10 JEEE COCCn1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCCN(C(=O)C(C)C)CC2)cn1 1519183015 FGWQILRQFDSNEO-UHFFFAOYSA-N 476.585 2.403 30 10 JEEE CS[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1519807109 CGMBOMNMBCCWOV-FUHWJXTLSA-N 478.644 2.246 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccc(C)cc1)N1CCOCC1 1539016829 VSQSEMBOVZQZBV-BVSLBCMMSA-N 471.627 2.020 30 10 JEEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1539051747 GYBJKLVJNZOTGI-YADARESESA-N 487.626 2.383 30 10 JEEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1539062855 GAOXLSWFIATAEK-UHFFFAOYSA-N 452.607 2.053 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCN1CCCC[C@@H]1CC)[C@@H]1CCS(=O)(=O)C1 1539222854 XLALKVRXEMXWMS-QHAWAJNXSA-N 463.648 2.063 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CC1CCN(CCC)CC1)[C@@H]1CCS(=O)(=O)C1 1539225405 NNHSIVYCONBUIG-JOCHJYFZSA-N 470.643 2.013 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1539246578 UFNIJDWTYALIJP-FPOVZHCZSA-N 476.516 2.272 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCC(=O)NC1CC1 1539314977 AUIAZJAFWTYOGQ-UHFFFAOYSA-N 471.565 2.197 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccc(OCC)cc3)n2C[C@@H]2COCCO2)CC1 1539469699 URRAIXDYKIALQQ-AUSIDOKSSA-N 497.596 2.198 30 10 JEEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1539612080 IBFMQTNVEOHSQY-ZOBUZTSGSA-N 468.396 2.406 30 10 JEEE C=C(Cl)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1539813176 VZHITNYQBSPIED-YJBOKZPZSA-N 492.049 2.011 30 10 JEEE C=CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1540854886 LGEPBOWHGJZKOJ-HSZRJFAPSA-N 470.618 2.380 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1540867629 BTFBAIGYZBDRAZ-QGZVFWFLSA-N 455.563 2.336 30 10 JEEE CCOCc1nnc(N2CCN(c3c(C#N)cnc4ccccc34)CC2)n1CC(C)(C)C(=O)NC 1548169471 HCKUMTNAXPOUBG-UHFFFAOYSA-N 476.585 2.333 30 10 JEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCc3nnc(N4CCCC4)cc3C2)cc1 1562197576 ORGRPLFINTXSSP-UHFFFAOYSA-N 456.572 2.474 30 10 JEEE C#CCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1587787043 GCDARUSOVFSQHC-HXUWFJFHSA-N 461.526 2.005 30 10 JEEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CCC(C)(C)C1CC1)[C@@H]1CCS(=O)(=O)C1 1588035358 SMALGXXSQQFMLA-AUSIDOKSSA-N 464.632 2.383 30 10 JEEE C#CCN(c1nnc(COc2ccccc2OC)n1CCOC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1588069861 UHWNFIINRFLHCA-GOSISDBHSA-N 476.599 2.308 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(OCC(F)(F)F)c2)CC1 1588732443 AKEBGVFDGIOWAR-UHFFFAOYSA-N 476.503 2.259 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@](C)(O)C2CC2)CC1 1588907261 ACHDSQKCWCXYOQ-RUZDIDTESA-N 467.570 2.089 30 10 JEEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1589027983 WBXUICXIQCGHPE-LJQANCHMSA-N 479.614 2.028 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)COC)CC1 1589567092 AHLQYIISQNYDFY-FDDCHVKYSA-N 473.549 2.272 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)CC1 1594097343 RFFIELJEDBHGKP-GBESFXJTSA-N 451.637 2.224 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1595475123 ADMYZSQCJMOBTA-VQIMIIECSA-N 453.522 2.036 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1595501293 OOGFCJYPESNXAJ-UHFFFAOYSA-N 474.631 2.063 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Br)cc2)nnc1N1CCN(C(C)=O)C[C@H]1C 1595772850 HKCVGFIFVQBTKB-OAHLLOKOSA-N 496.431 2.365 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cn(C)c3ccccc23)nnc1N(C)Cc1cnn(C)c1 1595784532 IEXQGCZZAWQVHI-UHFFFAOYSA-N 453.572 2.408 30 10 JEEE C=CCSCCn1c(-c2ccccn2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1595866543 ONHRDZCXFSBZLG-KRWDZBQOSA-N 450.634 2.367 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1nc2cccc(Cl)c2n1C 1596782174 GTJUHVGGXYTQKN-OLZOCXBDSA-N 464.983 2.073 30 10 JEEE C[C@H](N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N(C)C)CC1)C(F)(F)F 1611649431 GXWYKMWKLNFESV-INIZCTEOSA-N 479.507 2.280 30 10 JEEE CCOc1ccccc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(C#N)C1 1616453130 DFSJTQXWDVTZJK-NFBKMPQASA-N 488.614 2.188 30 10 JEEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1 1624041889 ALPOWNURBUYYFK-CYBMUJFWSA-N 450.923 2.303 30 10 JEEE COC(=O)c1sc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)nc1C(C)(C)C 1630805860 FOODVYHXVYKKHG-LLVKDONJSA-N 450.542 2.404 30 10 JEEE C#CCN1CCCN(C(=O)[C@@H](CCSC)NS(=O)(=O)c2ccc3ccccc3c2)CC1 1634011815 VHMGZDUXNDESSN-JOCHJYFZSA-N 459.637 2.407 30 10 JEEE C#C[C@H](NC(=O)CN1CCN(Cc2ccc(Br)cc2F)CC1)C1CCOCC1 1645988323 YPUHYWNHVYXPBU-FQEVSTJZSA-N 452.368 2.250 30 10 JEEE C=CCOc1ccccc1CNC(=O)Nc1cc(C(N)=O)ccc1CN1C(=O)CN(C)C1=O 1669438444 AVTDKKITPCHJAM-UHFFFAOYSA-N 451.483 2.066 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@]1(N(C)C)CCSC1 1689848185 QCNCTOXPGXBTJG-WAIKUNEKSA-N 451.600 2.087 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCCN1CC)[C@@H]1CCS(=O)(=O)C1 1689981981 FMNJHOFZCPFWIZ-DLBZAZTESA-N 495.447 2.147 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@H](C)N(C)C1CC1)[C@H]1CCS(=O)(=O)C1 1689983792 HSAZPJPQALLLFP-PXNSSMCTSA-N 457.600 2.063 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ccc(OCC(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 1689988328 MXTFOLZDVDOSGF-HXUWFJFHSA-N 480.594 2.445 30 10 JEEE C#CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1[C@@H]1C[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1689998213 FWSJCOYITDBTCK-IECFSIQFSA-N 463.604 2.256 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C/C=C\c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1689998293 IDROLVLXXXZNKY-UAZYTABNSA-N 470.595 2.342 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccnc(OC(F)F)c2)CC1 1690113668 QAMQCRSETAODDX-QHCPKHFHSA-N 476.528 2.119 30 10 JEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](c2ccc(C)o2)N2CCOCC2)CC1 1690364225 MBHKDHIOUUMKLM-OALUTQOASA-N 478.619 2.020 30 10 JEEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1CCC[C@H](C)C1 1690508839 QOMWYHXJNSVJGY-FHWLQOOXSA-N 455.625 2.219 30 10 JEEE C=CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CCN1CCN(Cc2ccccc2)CC1 1690514084 SYOUFHMPDIDGRW-UHFFFAOYSA-N 460.586 2.365 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(-n2cccn2)cc1 1690597379 RUBNMWASIPXUBE-OAQYLSRUSA-N 483.598 2.023 30 10 JEEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@@H](C(F)F)N2CCOCC2)[C@H](C)C1 1690838169 CGWJBGNGAHVBCK-UTKZUKDTSA-N 487.555 2.230 30 10 JEEE CCOC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2([S@@](C)=O)CC2)C1 1695976990 DDBYHMGTNIDLMC-ZUQCGGBESA-N 456.572 2.443 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1cccnc1-n1cccn1 1705481668 KUQYJLAHOACJIY-QGZVFWFLSA-N 461.551 2.436 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCCOc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1705567265 VEKSAAKYKBUCMI-PMACEKPBSA-N 488.610 2.277 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1cccc(OCC)c1)[C@@H]1CCS(=O)(=O)C1 1705567554 XKYVOJPPMWQBQH-VQTJNVASSA-N 458.584 2.246 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H](C)Oc1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1705569453 HHIDKGIYOHKUDU-TZIWHRDSSA-N 495.605 2.367 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCN(C(C)=O)C1 1705597686 NRCOYJNQNDOZRM-VXKWHMMOSA-N 498.628 2.308 30 10 JEEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1CCNC(=O)c1ccc(C)c(F)c1 1705612036 XFLOXFWTAYOENV-UHFFFAOYSA-N 452.490 2.343 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCCc2c[nH]nc2C)CC1 1705643768 RUVBLVCJYBKCLJ-OYRHEFFESA-N 482.633 2.468 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H]2CCCO2)CC1 1705644576 VUCKCZLWGZZERX-NRFANRHFSA-N 464.570 2.292 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CC[C@H](C)N2CCCCC2)CC1 1705648786 YSPOOSLUYBAXMX-UNMCSNQZSA-N 456.635 2.402 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](O)(c2ccc(F)cc2)C1 1705736783 CHRSJKLJJHGUAU-VGSWGCGISA-N 464.563 2.010 30 10 JEEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC2(CCCC2)C1 1705805510 IUMMZJITRBGBHH-GOSISDBHSA-N 453.609 2.117 30 10 JEEE C=CCCOCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN(C(=O)NC)CC1 1705830651 VEAGTHBCYCJQCW-UHFFFAOYSA-N 491.637 2.447 30 10 JEEE C=CCN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCS(=O)(=O)N1CCSCC1 1705840715 ZEPAFRQSHJSMMQ-UHFFFAOYSA-N 473.628 2.132 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCCN(c2nccc(OCC)n2)CC1 1705905677 CXGOWUCJMJJVOM-UHFFFAOYSA-N 482.614 2.138 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](c2ccccc2C)C1 1705929968 BZJLRYBDUUONBC-HXUWFJFHSA-N 496.593 2.413 30 10 JEEE C[C@H]1COCCN1CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)[C@H](C)CC#N 1708260578 CGMWACWKZNVRFJ-SJORKVTESA-N 459.982 2.321 30 10 JEEE CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1CC1CCN(C(C)=O)CC1 1710856821 FQCOPDLZHQRASY-KRWDZBQOSA-N 472.615 2.335 30 10 JEEE CS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCN(CC(F)(F)F)C2)C1 1712691751 BLXUYNZRLFOKAL-WMZOPIPTSA-N 482.532 2.324 30 10 JEEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1722337898 JTYDGASHYPJGLQ-HXUWFJFHSA-N 470.599 2.250 30 10 JEEE C#CCN(CC#CC)c1nnc(Cc2ccc(Cl)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1722395923 AHZMFOUNKXHQSS-HXUWFJFHSA-N 460.003 2.409 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC[C@@H](C)N2CCCCC2)CC1 1722443141 DCXRIMZGLSXBHK-QFQXNSOFSA-N 486.661 2.161 30 10 JEEE C=C(Br)Cn1c([C@H]2CCOC2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1722484415 VQADKGURTCOYRO-ROUUACIJSA-N 453.429 2.295 30 10 JEEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](NC(=O)CC)C1 1722494719 SDSNJZQGWVUYDT-ZOBUZTSGSA-N 456.385 2.406 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCC(F)(F)F 1722698919 PEZLYLHJIXYXOQ-AWEZNQCLSA-N 476.500 2.277 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2C[C@H](F)COC)C1 1722709902 BFYZXEJTAIVKST-DLBZAZTESA-N 466.583 2.312 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(F)(F)CNC(=O)OC(C)(C)C)C1 1722714407 MTMZHZXWMLCJIF-LSDHHAIUSA-N 470.521 2.171 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](C)[C@@H]1C 1722726886 CSBGSZDXZVJKBH-BZSNNMDCSA-N 483.635 2.422 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCC(N3CCCCC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1722732483 ZXERAUPICPSEFP-DEOSSOPVSA-N 495.690 2.374 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCS[C@H](C)[C@@H]2C)nnc1[C@]1(OC(C)C)CCOC1 1722736834 KFTRPJOPYPKWJG-QKLQHJQFSA-N 458.650 2.250 30 10 JEEE Cc1nc(S(=O)(=O)N2CCN(c3nnc(-c4ccc(C#N)cc4)n3CCC(C)C)CC2)cn1C 1725516530 GCHIDRNYBFNUMF-UHFFFAOYSA-N 482.614 2.416 30 10 JEEE CCCC(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NC(C)C)C1 1727892197 BXLHCVDREQMTHU-LJQANCHMSA-N 451.575 2.474 30 10 JEEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2CCN(C(C)=O)CC2)C[C@@H](C)O1 1730608659 DXDIMDKUKMCPAD-JPYJTQIMSA-N 482.585 2.227 30 10 JEEE COCCN1C[C@H](Cn2c([C@H](C)Oc3cccc(C)c3C)nnc2N2CCO[C@H](C#N)C2)CC1=O 1730776142 FUBXWERKKPVEGK-PWRODBHTSA-N 482.585 2.259 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(SC)CCN(C)CC1 1740547335 SGSCCNPPNQIGOX-QGZVFWFLSA-N 465.627 2.477 30 10 JEEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1740596719 KIFGPOXYVYAJIV-TZIWHRDSSA-N 465.602 2.431 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1CCOCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1740622026 SHAPPCXFANOUGT-OAQYLSRUSA-N 451.552 2.184 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1cccc(-n2cncn2)c1)[C@H]1CCS(=O)(=O)C1 1740627812 SOFPURLHRDGLRS-FQEVSTJZSA-N 467.599 2.122 30 10 JEEE C#CCN(CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@H]1NC(=O)CC1(C)C 1740674133 VSPPMOPGTSNVHX-JOCHJYFZSA-N 463.630 2.017 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCC(C)(F)F)CC1 1740703266 LUUADVUSRKKIMB-UHFFFAOYSA-N 479.553 2.360 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc([C@H](C)O)cc2)CC1 1740708475 QTUDWKBHUCSRFI-FQEVSTJZSA-N 475.597 2.207 30 10 JEEE C#CCSCCn1c(CCc2ccccc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1740720393 WUYSGRNDTMLMMZ-UHFFFAOYSA-N 461.657 2.290 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)CCS(C)(=O)=O 1740756265 GOIATDLTHHIUTB-DNVCBOLYSA-N 472.571 2.056 30 10 JEEE C=CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1)c1ccccc1 1740855068 UDDXUDLEDIBTIT-AITUJVMLSA-N 475.571 2.362 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@H](CNC(C)=O)C1 1740963934 BFBRTEWPNNNIMR-QGZVFWFLSA-N 460.966 2.165 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(CCOC)[C@@H](CC)C1 1740965208 FJWOYDPWXGCCRW-QKNQBKEWSA-N 462.639 2.046 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC(CC(=O)NC2CCCC2)CC1 1740991849 GRFDRAXBGTVJGC-IBGZPJMESA-N 479.647 2.048 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1740994068 LZXKWNMOQAGFKM-ROUUACIJSA-N 464.563 2.460 30 10 JEEE CC(C)CCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNC(=O)OC(C)(C)C 1741517361 AZMCDMYAYVZJEE-QGZVFWFLSA-N 468.624 2.471 30 10 JEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(Cc2ccc(F)cc2)CC1 1748751160 CUUMZVXQOOWEEB-HXUWFJFHSA-N 459.591 2.445 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@](C)(O)CCC(C)C)[C@@H]1CCS(=O)(=O)C1 1748811052 AQZTWNAPVWHJPJ-XXBNENTESA-N 459.616 2.462 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H]1CCCO[C@@H]1C(C)C)[C@H]1CCS(=O)(=O)C1 1748819329 NCQKMLWCDUJXPS-QNWVGRARSA-N 471.627 2.342 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1OC(F)F 1748864533 YTRSBHDHTZPWAY-OAHLLOKOSA-N 451.499 2.001 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(Cl)s1 1748892642 UFBJZQWEEXFHTM-KRWDZBQOSA-N 482.031 2.032 30 10 JEEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2Cc2cccnc2OCCOC)CC1 1748993018 NBKCEAQZNFKCNM-UHFFFAOYSA-N 482.535 2.371 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCn2cccn2)CC1 1749003494 LGESBFVIZQPUBO-UHFFFAOYSA-N 485.390 2.288 30 10 JEEE C#CCSCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1749023129 NLOFBFSOSNMREF-SFHVURJKSA-N 485.639 2.220 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CC)C[C@H](O)c1ccc(C)cc1 1749038466 KIJOYDIQGNLWDD-PMACEKPBSA-N 462.641 2.415 30 10 JEEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1749039371 STQDZYLZKBAMFV-RTWAWAEBSA-N 474.675 2.062 30 10 JEEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](C)O[C@H](COC)C1 1749195721 YSUVJICMJJKFSS-BZSNNMDCSA-N 451.568 2.403 30 10 JEEE C=CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1749640378 SQHRNKCJYKJLSZ-OAQYLSRUSA-N 475.615 2.291 30 10 JEEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCN(CC(F)(F)F)CC1 1749677773 KOCGUAXRMZHOEY-UHFFFAOYSA-N 452.481 2.152 30 10 JEEE N#Cc1ccccc1N1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(F)(F)F)CC1 1750384621 HOAVZIVIYGQCBM-MRXNPFEDSA-N 468.505 2.331 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCCN1CCN(c2ccncc2)CC1 1760099085 CEHLPGSSMIBNKW-ATIYNZHBSA-N 481.645 2.384 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@@](C)(OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1760180492 GKJNOIZDJBMBTH-OXQOHEQNSA-N 496.431 2.478 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1CCCCN1CCN(CC)CC1)[C@@H]1CCS(=O)(=O)C1 1760185036 ODKLWBTTWTVKOK-HSZRJFAPSA-N 498.697 2.298 30 10 JEEE C#CCN(c1nnc(CC)n1CCc1ccc(Br)cc1)[C@@H]1CCS(=O)(=O)C1 1760188078 ZVTAJBDSPRCZKU-QGZVFWFLSA-N 451.390 2.472 30 10 JEEE C#CCN(c1nnc(COc2ccccc2CC)n1CC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1760192065 DKNWTGPLRUIELL-OAQYLSRUSA-N 472.611 2.473 30 10 JEEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1760425140 FDTRAJKRIGEQAX-FQEVSTJZSA-N 472.615 2.238 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1760518345 QZYYPEMWNAHJSH-INIZCTEOSA-N 482.006 2.313 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)NCC)CC1 1760532728 CZUAJPPZRCCTLR-NRFANRHFSA-N 468.602 2.043 30 10 JEEE CC(=O)N1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2ccc(C#N)o2)[C@H](C)C1 1760614079 JEBMGPBKRUWLQP-OXQOHEQNSA-N 499.572 2.156 30 10 JEEE CC(=O)N1CCN(CCn2c(COc3ccc(C#N)cc3)nnc2N(C)Cc2cnc(C)s2)CC1 1760624112 AKDCPKCMOKGUCJ-UHFFFAOYSA-N 494.625 2.294 30 10 JEEE CC(C)(C)c1ccc(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@]2(O)CCS(=O)(=O)C2)cc1 1760719125 BTRVPONFWYNYLY-DHIUTWEWSA-N 491.589 2.146 30 10 JEEE N#Cc1ccc(OCc2nnc(N3CCC[C@H]3[C@@H]3CCCO3)n2CC(=O)NCC(F)F)cc1 1771534585 HGUIYRMDRCRZEN-ROUUACIJSA-N 460.485 2.258 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@H](C(=O)NC)C1 1772660075 VRSPGFLIFAVOHM-HNNXBMFYSA-N 482.006 2.170 30 10 JEEE C=CCN1C(=O)C(=c2sc3nc(-c4ccncc4)nn3c2=O)c2cc(Br)ccc21 1772719226 LJADIOIFGCZFPE-UHFFFAOYSA-N 466.320 2.426 30 10 JEEE C=CCNC(=O)[C@H](Cc1ccc(OC(C)=O)cc1)NC(=O)c1ccc2c(c1)C(=O)N(C(C)C)C2=O 1861508471 PFGJYEJOGAUHIB-QFIPXVFZSA-N 477.517 2.260 30 10 JEEE Nc1cccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccccc2[N+](=O)[O-])c1 1862557614 KUTHHRKPDVJSLX-FQEVSTJZSA-N 452.467 2.088 30 10 JEEE COc1cc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCO)cc(Br)c1O 1862604742 XCWCGELCMMQNEB-INIZCTEOSA-N 464.268 2.440 30 10 JEEE Cc1nc(CNC(=O)OC(C)(C)C)sc1C(=O)N[C@@H](CO)C(=O)Nc1ccc(C#N)cc1 1867083710 QGJNDCFJRUNALJ-HNNXBMFYSA-N 459.528 2.077 30 10 JEEE CN1CCN(c2ccc(-n3nnc(C#N)c3NC(=O)c3ccc(/C=C/C(=O)O)cc3)cc2)CC1 1870153751 GSFHXFXDKONZGW-NYYWCZLTSA-N 457.494 2.241 30 10 JEEE CC(C)N1C(=O)CS[C@@H](C(=O)NCc2cccnc2N2CCOCC2)[C@H]1c1ccc(C#N)cc1 1889390450 WYHLBSSUQFOHAE-DHIUTWEWSA-N 479.606 2.500 30 10 JEEE O=C(CN1C(=O)c2ccccc2S1(=O)=O)NCC#CCOc1cccc(C(F)(F)F)c1 1890934546 RIUIQXGRXCXSAF-UHFFFAOYSA-N 452.410 2.049 30 10 JEEE N#Cc1nc(-c2cccs2)oc1N1CCC(C(=O)NCc2ccnc(N3CCOCC3)n2)CC1 1891308257 CPUGXLSUDAWTRS-UHFFFAOYSA-N 479.566 2.434 30 10 JEEE N#C[C@@H]1CN(S(=O)(=O)c2cc(CO)sc2Br)CCN1Cc1ccccc1 2101586770 NRJGOLSLHOIFFW-CQSZACIVSA-N 456.387 2.402 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2124537473 YQHXLECASIREJO-RHSMWYFYSA-N 450.316 2.434 30 10 JEEE C[C@@H](C(=O)N1CC(CB2OC(C)(C)C(C)(C)O2)C1)N1CCN(C(=O)OC(C)(C)C)CC1=O 2124542402 DOUMTRHVMMJJIN-HNNXBMFYSA-N 451.373 2.005 30 10 JEEE Cc1nc(I)c(I)n1C[C@@](N)(C#N)C1CCOCC1 2143001547 PFABVKBIQMCAPW-LBPRGKRZSA-N 486.095 2.048 30 10 JEEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](C)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 2222513212 NQDOCXZIQZTXLI-SEPYTNNBSA-N 453.580 2.417 30 10 JEEE CN(CCN(C)C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)C(=O)OCc1ccccc1 2247849060 UPUANJTXSXFFGC-UHFFFAOYSA-N 454.336 2.116 30 10 JEEE CN(CCN(C)S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)OCc1ccccc1 2255753596 UDHFETYMQSQYME-UHFFFAOYSA-N 489.403 2.270 30 10 JEEE Cc1csc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)c1B1OC(C)(C)C(C)(C)O1 2255836910 HALKKARAMBAUIP-ZIAGYGMSSA-N 452.382 2.066 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]1C(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)cs1 2256615643 WDFINJFHNZPTFW-CVEARBPZSA-N 452.382 2.346 30 10 JEEE CC(C)C[C@@H](ONC(=O)OC(C)(C)C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2256637386 UEAOXLMUPYGULV-GFCCVEGCSA-N 456.374 2.069 30 10 JEEE CC(C)(C)OC(=O)NC(C)(C)[C@@H](O)C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)s1 2256663216 MZXSVCNMFUVFBT-HNNXBMFYSA-N 454.398 2.328 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@]2(CO)CCN(C(=O)OC(C)(C)C)C2)s1 2267101585 JRKIZYLXIKDKJP-QFIPXVFZSA-N 466.409 2.457 30 10 JEEE CC1(C)OB(c2cc(C(=O)NC[C@]3(O)CCCN(Cc4ccccc4)C3)ns2)OC1(C)C 2267152106 NAESZUBJFYXMAI-HSZRJFAPSA-N 457.405 2.199 30 10 JEEE C[C@H]1[C@H](NS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CCN1Cc1ccccc1 2267380092 YJYLBJMFOTXUNL-LAUBAEHRSA-N 457.405 2.322 30 10 JEEE CC(C)[C@@](C)(CNC(=O)OC(C)(C)C)NC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2267502896 VBPCSMJJTXTLGY-JOCHJYFZSA-N 450.389 2.389 30 10 JEEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)Cc2cccc(B3OC(C)(C)C(C)(C)O3)c2)CC1 2267708522 LCWVTSWCEFVEHM-UHFFFAOYSA-N 466.409 2.368 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@@]2(C(=O)N=c3nc(B4OC(C)(C)C(C)(C)O4)[nH]s3)C[C@@H]2C1 2268720311 SPZCXTPYFJHYIU-LRTDBIEQSA-N 464.397 2.235 30 10 JEEE Cn1ncc(C(=O)N[C@@H]2C[C@H]3C[C@H]2CN(C(=O)OC(C)(C)C)C3)c1B1OC(C)(C)C(C)(C)O1 2281831038 UCJOLQLVSCIMSV-HLLBOEOZSA-N 460.384 2.095 30 10 JEEE CC(C)(C)OC(=O)NC1CC(C[S@](C)(=O)=NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2281926307 MANYZIPKOMCHNR-ICZALSQNSA-N 482.412 2.250 30 10 JEEE Cn1cc(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)n1 2281970355 DCBVCQHWMRZAML-XHSDSOJGSA-N 460.384 2.237 30 10 JEEE CCc1nn(C)c(C(=O)N2C[C@@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2281986561 UNWODMKRAMVWBX-PSLXWICFSA-N 460.384 2.021 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H]3CC[C@H]2CN3C(=O)OC(C)(C)C)n1 2281996166 LPOZVGUPQQKWSA-JKSUJKDBSA-N 460.384 2.426 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H]3CCC[C@@]3(NC(=O)OC(C)(C)C)C2)n1 2282037992 CDLGGNNWMAYIKG-NPMXOYFQSA-N 460.384 2.239 30 10 JEEE Cc1c(C(=O)N2CCCN(C(=O)OC(C)(C)C)[C@@H](C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282059269 HBWASRPXCDLDCD-HNNXBMFYSA-N 462.400 2.499 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@H](CCNC(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282180343 RQDGIDVCMGSFRN-SFHVURJKSA-N 461.368 2.137 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)CCO1 2282180861 YEIMPNSRFIHEAA-IAGOWNOFSA-N 461.368 2.183 30 10 JEEE CCn1cc(C(=O)N[C@H]2C[C@](F)(CNC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2282536433 CHZJISTXIHCRIZ-XLOAEROZSA-N 466.363 2.327 30 10 JEEE Cn1cc(C(=O)N2[C@H]3CC[C@H]2[C@H](CNC(=O)OC(C)(C)C)C3)nc1B1OC(C)(C)C(C)(C)O1 2282548500 XXHRBKQDSSIVGA-ZOBUZTSGSA-N 460.384 2.237 30 10 JEEE Cn1ncc(C(=O)N[C@@H]2C[C@H]3CC[C@H]2N(C(=O)OC(C)(C)C)C3)c1B1OC(C)(C)C(C)(C)O1 2282575005 WZENOCMHLXFQEW-DJIMGWMZSA-N 460.384 2.237 30 10 JEEE Cn1cc(C(=O)N2[C@H]3CC[C@H]2[C@@H](CNC(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)n1 2282588156 DLRJWXXZCQVFCN-VYDXJSESSA-N 460.384 2.237 30 10 JEEE CC(C)(C)OC(=O)N1CC2(C1)CS(=O)(=O)CCN2C(=O)[C@H]1C[C@@H](B2OC(C)(C)C(C)(C)O2)C1 2282640813 SEFWKIXETOHNEO-IYBDPMFKSA-N 484.424 2.105 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](C2CN(C(=O)c3ncncc3B3OC(C)(C)C(C)(C)O3)C2)C1 2282695719 SCLMGRPLXKRVRE-OAHLLOKOSA-N 458.368 2.105 30 10 JEEE CN1CCN(Cc2ccccc2)[C@H](CNS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2282866879 QCQWGPNVZYIMEH-LJQANCHMSA-N 491.488 2.142 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1NC(=O)[C@H](NC(=O)OC(C)(C)C)C1COC1 2284017867 PEBTXWUTHVVROS-GOSISDBHSA-N 462.352 2.473 30 10 JEEE CO[C@H]1C[C@H](C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)CN(C(=O)OC(C)(C)C)C1 2284055991 CHCXVQQDYZMAHM-GJZGRUSLSA-N 481.424 2.331 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@]2(C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)C1 2284069237 NVSRQWLSBJYGGR-NPMXOYFQSA-N 459.352 2.345 30 10 JEEE C[C@H](OCc1ccccc1)[C@@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1O)C(=O)O 2284490395 LMWLLUVJGWYWHQ-MGPUTAFESA-N 455.316 2.480 30 10 JEEE CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1CCc2scc(B3OC(C)(C)C(C)(C)O3)c2C1 2336502541 YELGUICERPPPJY-INIZCTEOSA-N 466.409 2.208 30 10 JEEE CC1(C)OB(c2sncc2C(=O)NC2(CN)CCN(Cc3ccccc3)CC2)OC1(C)C 2337402773 DPXSURWIJRPAGD-UHFFFAOYSA-N 456.421 2.166 30 10 JEEE COCCn1cc(C#C[C@@H](N)[C@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)cn1 2340408493 SGDHFKXKAKNYBM-RDGATRHJSA-N 453.587 2.378 30 10 JEEE Cn1ncc(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 2359266949 FYGOGWOPQCQLOM-XJNFMUPTSA-N 460.384 2.141 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(Cc4ccc(OC)c(OC)c4OC)CC3)cc2C1=O 30535641 IURDNYBFAPJWOE-UHFFFAOYSA-N 479.533 2.452 30 10 JEEE COc1ccc(O)c(/C=N/Nc2nc(SCC(=O)NCCc3ccc(OC)c(OC)c3)n[nH]2)c1 58997991 XCUDKPIELLDPKW-WYMPLXKRSA-N 486.554 2.433 30 10 JEEE COc1ccc(O)c(C=NNc2nc(SCC(=O)NCCc3ccc(OC)c(OC)c3)n[nH]2)c1 1083947169 XCUDKPIELLDPKW-UHFFFAOYSA-N 486.554 2.433 30 10 JEEE CC(=O)c1ccc(NC(=O)CSc2nnc(NN=Cc3ccc(N(C)C)cc3)n2N)cc1 1084184907 JHIMYZNAFHKFRC-UHFFFAOYSA-N 452.544 2.437 30 10 JEEE CCOc1cc(C=NNc2nnc(SCC(=O)Nc3ccccc3[N+](=O)[O-])n2N)ccc1O 1084185551 CDYSPGYVGIRQDZ-UHFFFAOYSA-N 472.487 2.181 30 10 JEEE C=CCS(=O)(=O)CCNC(=O)c1cc(I)ccc1Br 1266525039 HNOJQEXBWWTQQY-UHFFFAOYSA-N 458.115 2.384 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@H]2CCC[C@]3(CCOC3)O2)c1 1286308686 LPYOEXTYFNANGU-QFQXNSOFSA-N 494.596 2.201 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2C[C@](C)(O)[C@H](C)CC)c1 1286312040 QDVQOPBSSFMIHF-CJAUYULYSA-N 466.586 2.254 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CCc1nccs1)[C@H]1CCS(=O)(=O)C1 1286392113 ASAFSWNRQFBXOH-SFHVURJKSA-N 471.608 2.491 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1286398751 OJPGPXADLKUDEX-PWRODBHTSA-N 477.675 2.309 30 10 JEEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1C[C@@H]1[C@H](C)CCN1C(=O)OC(C)(C)C 1286416935 ZTQBPGSNBXLCCI-RTBURBONSA-N 454.575 2.119 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2Cc2ccc(N3CCOC3=O)cc2)CC1 1286493759 PRMSGGSGPRUYPV-UHFFFAOYSA-N 464.570 2.447 30 10 JEEE C#CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@H](COC(C)C)C1 1286507778 CDIJPYCTSRCTQI-NRFANRHFSA-N 485.658 2.449 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCC[C@H](S(=O)(=O)N(C)CCOC)C2)nnc1C(C)(C)C 1286561658 FVOSVQOTVHGBSL-UFYCRDLUSA-N 483.679 2.434 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1286611687 NXIPLVRIVKTPAD-MOPGFXCFSA-N 457.579 2.162 30 10 JEEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1286683156 KTMNENGYYMDTCW-HOTGVXAUSA-N 456.613 2.348 30 10 JEEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCn1cc(Br)cn1 1286722624 NVKJWSXIHNHJRT-UHFFFAOYSA-N 469.347 2.473 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1286792636 DOOSMMJLLBUYDU-IBGZPJMESA-N 482.564 2.423 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2nccc(C(F)(F)F)n2)C1 1286810568 SVDHSLIZLRATIR-HUUCEWRRSA-N 486.520 2.013 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2C[C@@H](C)[C@H](C(F)(F)F)C2)nnc1[C@]1(OCC)CCOC1 1286825317 PCTGRCXRSZBFOV-RKVPGOIHSA-N 466.526 2.166 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CC(C)(C)N1CCCCC1 1288815769 ADBPKPCHLUKDPF-QGZVFWFLSA-N 451.641 2.283 30 10 JEEE CCOC(C)(C)Cn1c(N2CCN(c3cc(C#N)ccn3)CC2)nnc1[C@]1(OCC)CCOC1 1296469312 BRGZJRNBMOQAMO-DEOSSOPVSA-N 469.590 2.339 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2Cl)n1CCC(=O)NC)[C@H]1CCS(=O)(=O)C1 1300488164 BGRHTUIZNGFNHX-AWEZNQCLSA-N 470.382 2.015 30 10 JEEE C#CCN(c1nnc(-c2ccc(OCCC(C)C)cc2)n1Cc1nncn1C)[C@H]1CCS(=O)(=O)C1 1300489742 ROBOGLMJJOKARZ-FQEVSTJZSA-N 497.625 2.174 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@](C)(O)c1cc(C)oc1C)[C@@H]1CCS(=O)(=O)C1 1300498120 HCVFYAIGWKXLLB-HYBUGGRVSA-N 483.594 2.008 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2Cc2ccccc2CN2CC[C@H](O)C2)CC1 1300711847 IWRICUSKITWWGV-YKSBVNFPSA-N 478.641 2.372 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](c2noc(C(C)C)n2)C1 1300952519 XGMWBDPPYHZOPZ-SJORKVTESA-N 479.607 2.078 30 10 JEEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1300997581 WSAGTLWILIWERX-QFIPXVFZSA-N 457.623 2.281 30 10 JEEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(NC(C)=O)CC1 1301207101 PZSZPIRZKFBQHF-UHFFFAOYSA-N 460.604 2.267 30 10 JEEE C=CCn1c(-c2ccc(OC)cc2)nnc1N1C[C@@H]2[C@H](C1)[C@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1301445723 GHQGKOPJCPKHFG-GUDVDZBRSA-N 489.598 2.266 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1301569250 UJBKTUOSSVIZCA-KSFYIVLOSA-N 479.578 2.120 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1301576714 ADOMWPAZVIBIST-OAHLLOKOSA-N 458.510 2.014 30 10 JEEE CC(C)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1303198594 GHZRYDHMJGHPJM-DVECYGJZSA-N 454.575 2.047 30 10 JEEE C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1)c1nccs1 1303693377 GCDUWVWPIQYDDA-OAHLLOKOSA-N 457.585 2.159 30 10 JEEE CC[C@@H](C)N(C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2C#N)CC1 1305613706 HGNGMZOCSFAPMJ-QUCCMNQESA-N 450.591 2.158 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)CC(=O)Nc2ccc(S(=O)(=O)N(CC)CC)cc2)c1 1307422003 LTRGFPQUAJQQQV-UHFFFAOYSA-N 456.568 2.207 30 10 JEEE CCn1nc(-c2nnc(N(C)[C@H](C)CC#N)n2CCS(=O)(=O)CC2CC2)c2ccccc2c1=O 1313958289 ABDIJAZQVMNHOI-MRXNPFEDSA-N 483.598 2.238 30 10 JEEE CN(C)C(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1314636401 HHVPCMUYLRJNLI-FQEVSTJZSA-N 489.584 2.102 30 10 JEEE COCC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1315962852 GQHZHCGPSAOIRD-SQJMNOBHSA-N 468.602 2.153 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(Cl)s1 1358889610 DXKZHFUJFSCZGP-UKRRQHHQSA-N 458.009 2.027 30 10 JEEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1CCC(OC)CC1)[C@H]1CCS(=O)(=O)C1 1358957328 SQUSAJFJKHHRQE-GTJZEUBQSA-N 494.658 2.151 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1CCCOC1)[C@@H]1CCS(=O)(=O)C1 1358957909 CLGQXKZIFXRMOZ-PKOBYXMFSA-N 474.583 2.016 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1cn(CCCC)nc1C)[C@H]1CCS(=O)(=O)C1 1358961738 DNJCFSOBRZURNN-CTNGQTDRSA-N 474.631 2.152 30 10 JEEE C#CCN(c1nnc(C2CCCC2)n1CCCNC(=O)c1cccc(O)c1)[C@H]1CCS(=O)(=O)C1 1358962310 NRNBGMLMCVOHCR-FQEVSTJZSA-N 485.610 2.088 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1359041183 PEFFXLOGAGSPPI-UWJYYQICSA-N 496.587 2.438 30 10 JEEE C=C(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC(NC(=O)COC)CC1 1359117349 VXEVBSGAJUVIFH-UHFFFAOYSA-N 460.966 2.169 30 10 JEEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCn1cc([C@H]2CCOC2)cn1 1359233428 DRDQBOKJDAWCJM-SFHVURJKSA-N 456.572 2.371 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H](c2nccs2)C1 1359294256 OZQOKABEGUJTHZ-INIZCTEOSA-N 455.500 2.190 30 10 JEEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCN(Cc2c(CC)nn(C)c2Cl)CC1 1359301912 PGCNKDOKSSOVSL-UHFFFAOYSA-N 463.030 2.050 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@](C)(OC)CC1 1359334776 QPNOQMDXXTVULT-OAQYLSRUSA-N 450.609 2.136 30 10 JEEE C=CCN(C(=O)[C@@H]1CCCN(C(=O)N2CCc3sccc3C2)C1)[C@H]1CCS(=O)(=O)C1 1435069130 NNVDNLPDTPKJRH-MSOLQXFVSA-N 451.614 2.140 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1Cc1cnn(C)c1C)[C@H]1CCS(=O)(=O)C1 1507629878 XOXJLFJJCBKQTC-KRWDZBQOSA-N 476.965 2.455 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@H]1CCC=CO1)[C@@H]1CCS(=O)(=O)C1 1507634297 JLLOKXMOYRRXCK-WOJBJXKFSA-N 456.568 2.197 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC2(N(C)C)CCC2)CC1 1507733792 ARIQFACEXNBZNB-UHFFFAOYSA-N 480.613 2.412 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@H]2OCC[C@H]2C)CC1 1507741000 SEWPXBZETRXTPX-DYESRHJHSA-N 455.534 2.387 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@](C)(O)CCOC)CC1 1507742529 LBFFGIAVZVMHGW-DEOSSOPVSA-N 474.005 2.276 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)Nc1cccc(C)c1C 1507751866 SJNKLMYUKXPLJW-GOSISDBHSA-N 475.640 2.238 30 10 JEEE C#CCSCCn1c(Cc2ccncc2)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 1507757238 WBUURNHDDRJPBD-QGZVFWFLSA-N 470.624 2.475 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCC(OCC(N)=O)CC1 1507811336 PWLSKSYTIKGFMX-GAJHUEQPSA-N 473.549 2.448 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCOc2ccc(F)cc2)CC1 1507884376 HOLWCKOZFOARSP-FQEVSTJZSA-N 479.578 2.376 30 10 JEEE C=CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)COC)CC1 1507933676 AGMNGICNOLHMNC-IBGZPJMESA-N 492.621 2.238 30 10 JEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 1507953437 FUFZOGXKIALKBB-GOSISDBHSA-N 498.650 2.071 30 10 JEEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCC1(O)CCOCC1 1507982263 RVNPHDQBQLROEO-KRWDZBQOSA-N 451.568 2.140 30 10 JEEE C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1508050381 YHOLNSMQKSNCDT-KBXCAEBGSA-N 462.396 2.211 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CCC(N2CCCNC2=O)CC1 1508133036 BTFOYUBIPSOKQW-UHFFFAOYSA-N 486.642 2.492 30 10 JEEE C=CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1508158605 MDKMIPZCEFUYDV-INIZCTEOSA-N 451.618 2.343 30 10 JEEE CN(Cc1ccccn1)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1517146680 HVWGPLLOYQZAMG-IBGZPJMESA-N 481.582 2.042 30 10 JEEE COc1ccc(OCc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H]2CCCN2CCCO)cc1 1518329687 HATBTOZOGMSRTK-MBSDFSHPSA-N 458.538 2.154 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(C)(C)C(=O)NCC 1538975563 AFQWZCZOGBKOSJ-HNNXBMFYSA-N 459.620 2.167 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1ccccc1)C1CC1 1539012872 GUJSVDGYWPDPPQ-IOMROCGXSA-N 457.600 2.263 30 10 JEEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1539124424 GHEBRIAHDSVMHO-HBMCJLEFSA-N 488.633 2.157 30 10 JEEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@H](C)N1CCN(CC)CC1 1539154691 KCNLSNCKTRCMBH-SFHVURJKSA-N 456.591 2.066 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1ncccc1C)[C@@H]1CCS(=O)(=O)C1 1539205948 KTICLLASBHEKCO-LJQANCHMSA-N 466.523 2.232 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCC(=O)N1CCCCCC1)[C@@H]1CCS(=O)(=O)C1 1539210426 FAMLECUEGHERCD-JOCHJYFZSA-N 494.621 2.236 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ccc(Cl)cc1F)[C@H]1CCS(=O)(=O)C1 1539215844 JZLBGACDEXTBOD-INIZCTEOSA-N 460.922 2.203 30 10 JEEE C#CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1539507151 RLWWRSIDNYHBTB-HZPDHXFCSA-N 464.613 2.341 30 10 JEEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1539526719 SXAQWHWZEASQJF-MRXNPFEDSA-N 481.669 2.040 30 10 JEEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](c2noc(C)n2)C1 1539612317 KTKORNORXCVLMU-KKUMJFAQSA-N 469.340 2.180 30 10 JEEE C=C(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](CN2CCOCC2)C1)c1ccccc1 1539765607 GZPYVMGCTQEPIE-RTWAWAEBSA-N 488.658 2.150 30 10 JEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(N3CCSCC3)CCCC2)CC1 1539828090 DWOITNCHBFILGS-SFHVURJKSA-N 468.693 2.406 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1540862196 VBEJIRAMLROMED-KBMIEXCESA-N 482.585 2.224 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(c2cc(C)nc(C(C)C)n2)CC1 1540873308 UJEVLZJCLICMPZ-UHFFFAOYSA-N 475.601 2.115 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N(C)C[C@H]1CCCCO1 1540904850 OVLCKDCYOYPFLA-YLJYHZDGSA-N 462.572 2.397 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1C[C@H](F)CN1Cc1cccs1 1541105126 FCIPBIYCVAIBEV-YVSFHVDLSA-N 483.639 2.158 30 10 JEEE N#C[C@@]1(F)CCN(c2nnc(COc3ccccc3F)n2C[C@@H]2CCCS(=O)(=O)C2)C1 1555985985 CITUWKCZEDBMDL-YWZLYKJASA-N 451.499 2.263 30 10 JEEE C#CCN(c1nnc([C@@H](C)OCCOC)n1Cc1ccc(C)s1)[C@H]1CCS(=O)(=O)C1 1588034785 LVINVSLKKLRSKX-SJORKVTESA-N 452.602 2.047 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@@H]1CCC[C@@H](O)C1)[C@@H]1CCS(=O)(=O)C1 1588058815 CXXPHOCXXYNITN-MISYRCLQSA-N 460.575 2.186 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1Cc1c(C)nn(C)c1C)[C@@H]1CCS(=O)(=O)C1 1588059803 VKSLLSLIBDIPBJ-QGZVFWFLSA-N 488.564 2.172 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(C)(C)C(=O)NC 1588133445 GMKQAHRRHXVCFQ-SFHVURJKSA-N 456.591 2.238 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCO[C@H](C)C1 1588595624 WYQQYYFXYVVJPX-MOPGFXCFSA-N 475.615 2.097 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccc(C(=O)N(CC)CC)cc2)CC1 1588752823 WXBGSYGQQBEKLQ-HHHXNRCGSA-N 494.640 2.216 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCCN(C)C(C)C)CC1 1588837366 REDBWWPHRZLPJR-NRFANRHFSA-N 489.665 2.072 30 10 JEEE C#CCSCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN(C(=O)NC)CC1 1589036526 KPODKZHBCSEBHK-UHFFFAOYSA-N 458.588 2.180 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CCS(C)(=O)=O 1589568717 LUCZINLJQSKVRB-GHTZIAJQSA-N 459.572 2.191 30 10 JEEE C=C(C)COCCn1c(Cc2ccccc2F)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1593753059 UXTZMLWNYLDMBI-KRWDZBQOSA-N 451.568 2.071 30 10 JEEE C=C(C)COCCn1c(N2CCOC3(CCOCC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1593769120 LPNYTTCMCLEFGP-HSZRJFAPSA-N 450.580 2.297 30 10 JEEE C=C(Cn1c(C(=O)N2CCCC2)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1)c1ccccc1 1593776007 GOVABQOCAISNSJ-NRFANRHFSA-N 487.626 2.258 30 10 JEEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1593885154 LIVIDAMEQLXZJZ-RRFJBIMHSA-N 469.926 2.453 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](C[C@@H]2CCOC2)C1 1595761291 ZGOFSZJNBRBUGB-OALUTQOASA-N 488.614 2.169 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)C[C@H]1CCCO[C@H]1c1ccccc1 1595788637 FBEUNGILLJIUJI-URVUXULASA-N 487.626 2.434 30 10 JEEE CC(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC[C@@H](O)C2)CC1 1596513775 DGBBTHNZJYKESJ-PZJWPPBQSA-N 452.559 2.385 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCOc1ccc(F)c(Cl)c1 1596788698 BPZKLBJWJOOSCJ-QWHCGFSZSA-N 458.947 2.356 30 10 JEEE CSc1nc(C2CC2)cc(C(=O)N(C)CCN(C)c2ccc(S(N)(=O)=O)cc2)c1C#N 1637698875 HDIWDYCKFXJWTO-UHFFFAOYSA-N 459.597 2.408 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCN(c2ccc(S(=O)(=O)N(CC)CC)cc2[N+](=O)[O-])CC1 1638847597 ULHRRSOGUHTSSZ-RXVVDRJESA-N 480.587 2.255 30 10 JEEE COC(=O)[C@@H]1CN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C[C@H]1c1ccccc1 1654056253 DBOOITUKQRFPST-PWRODBHTSA-N 452.580 2.346 30 10 JEEE N#Cc1ccc(Cc2cnc(NC(=O)N3CCC(O)(C(N)=O)CC3)s2)c(C(F)(F)F)c1 1671601939 FIBVSPDNQKIVKH-UHFFFAOYSA-N 453.446 2.468 30 10 JEEE COc1ccc(C(=O)N2CCN(C(=O)NCc3ccc(C#N)c(F)c3)CC2)c(OC)c1OC 1683174741 CKSNIDPMDZBZDQ-UHFFFAOYSA-N 456.474 2.391 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2Cc2csc(COC)n2)c1 1689871713 CLXDIPDSBLTEJY-KRWDZBQOSA-N 466.567 2.489 30 10 JEEE C#CCCCCn1c(N2CC[C@H](N3CCN(CC)CC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1689907009 XXPDBAMBBUVNMM-WIOPSUGQSA-N 458.651 2.338 30 10 JEEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1Cc1cccc(N2CCOCC2)n1 1689949450 DEQNNVWRMBZWKU-UHFFFAOYSA-N 478.553 2.320 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccccc1CN(CC)CC)[C@@H]1CCS(=O)(=O)C1 1689988589 RZJJEUCQHSQGQC-HSZRJFAPSA-N 495.653 2.195 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCc1c[nH]c2ccccc12 1690103660 FXPUQQLVGYJGEN-LJQANCHMSA-N 455.584 2.380 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCCO2)n1C[C@@H](C)N1CCN(c2ccccc2)CC1 1690108409 YBGCOLPCRAXHDR-FYYLOGMGSA-N 452.603 2.426 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CC2CCN(CCC)CC2)CC1 1690146590 RHCHXAWMTWRAAI-JOCHJYFZSA-N 456.635 2.260 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2CCCO[C@H]2CCOC2)CC1 1690148602 MIYCSXURSCQAPG-QHCPKHFHSA-N 465.598 2.339 30 10 JEEE C=CCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CC(=O)N(C)[C@H](C)C1 1690490131 PXFBVTPPAUFSBR-OAQYLSRUSA-N 451.619 2.276 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1690676314 WGFCCSDVHCJPHF-IBGZPJMESA-N 454.575 2.161 30 10 JEEE Cc1nn(C)c(N2CCN(c3nnc(C)n3C[C@@H](c3c(F)cccc3F)N(C)C)CC2)c1C#N 1693405677 CNRQHUCXDPKAEK-FQEVSTJZSA-N 469.544 2.408 30 10 JEEE CCCN(CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1)C(=O)OC(C)(C)C 1695336938 CIFAYCSKRJDMEB-HXUWFJFHSA-N 497.600 2.415 30 10 JEEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1CCCc1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 1705568474 OGHNIKIWMJTFAE-QFIPXVFZSA-N 496.637 2.467 30 10 JEEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1705794836 VQTRZOOFTWEMNO-UHFFFAOYSA-N 466.652 2.253 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCO[C@@H](c2ccc(F)c(F)c2)C1 1705906297 ZHCCCFXETKIYFR-HXUWFJFHSA-N 454.481 2.422 30 10 JEEE C=CCNC(=O)Cn1c(Cn2ccc3ccccc32)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1705907405 LSSXTWLLBUOTOL-UHFFFAOYSA-N 463.586 2.278 30 10 JEEE C=CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1705942467 TULKSGGUNBXZPJ-IRXDYDNUSA-N 464.569 2.382 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ncccc1N(C)C 1706068135 FNMPDNNBTXFPDQ-KRWDZBQOSA-N 482.614 2.301 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@H](c1ccco1)N1CCCC1 1706878874 HIFAIHOHJBQDMA-NPPFBWRTSA-N 475.619 2.448 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCN(CCC)C2)c1 1722305988 NPAPFDFFWBRIQD-HXUWFJFHSA-N 465.602 2.204 30 10 JEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(c2nccs2)CC1 1722316739 MJJVBLAOQRGKQF-GOSISDBHSA-N 478.644 2.255 30 10 JEEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1722324718 WVRVKRLMTTVYRF-WIYYLYMNSA-N 471.005 2.432 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCN(C)[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1722358935 GYNJJQXXDLMCNX-RXVVDRJESA-N 454.600 2.174 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1722702525 MADWDZISMXPMBY-YLJYHZDGSA-N 486.577 2.445 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1 1722728039 NGUBUPUXWIXSNC-KRWDZBQOSA-N 483.635 2.266 30 10 JEEE N#C[C@@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2ccccc2OC(F)F)C1 1731181068 FGSTXEMYQXPVMB-YWZLYKJASA-N 469.489 2.466 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H](C)Oc1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1740627209 ZDRFHNVMTPDIFJ-TZIWHRDSSA-N 495.605 2.367 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CCSC(C)C)[C@H]1CCS(=O)(=O)C1 1740628010 MICUGIDQPAKVLY-IBGZPJMESA-N 473.624 2.497 30 10 JEEE C=C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@]2(OC)CCOC2)CC1 1740819826 GFYWIFHGUYPQSY-JOCHJYFZSA-N 461.588 2.157 30 10 JEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CC(=O)N(c3ccccc3)C2)CC1 1740833531 RYNKLXITPDAOIX-HKUYNNGSSA-N 472.615 2.344 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(c2ccc(F)cn2)CC1 1740951427 FXFQWKBZCGZRSD-UHFFFAOYSA-N 492.559 2.310 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)CCOC(C)(C)C 1740959258 PEGCQOAHILPKJN-UHFFFAOYSA-N 467.574 2.228 30 10 JEEE CC(C)OCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCOCC2(C)C)CC1 1741763943 HOWAWHUDNARPHM-UHFFFAOYSA-N 481.645 2.475 30 10 JEEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCC[C@H]2C(=O)N(C)C)CCCO1 1743244211 GWRFTULLMYLEKD-KNQAVFIVSA-N 465.602 2.375 30 10 JEEE CCS(=O)(=O)N(C)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CC(C)(C)OC[C@@H]1C 1747426919 GZGZVYDNOXYNBK-SFHVURJKSA-N 490.630 2.404 30 10 JEEE C#CCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1748738900 SLWOQNUATKKMPT-UHFFFAOYSA-N 454.962 2.283 30 10 JEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(c2ccccc2C#N)CC1 1748751929 OOBIGFGDARFAGX-HXUWFJFHSA-N 452.584 2.182 30 10 JEEE C#CCN(c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(C)(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1748810661 ZFGQSJLVGFOYDM-FQEVSTJZSA-N 482.614 2.230 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@](C)(OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1748810696 ZTHYIJRWNLTOST-UUOWRZLLSA-N 488.610 2.404 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CCCc1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 1748818808 GWZYJJIBAFLLBU-GOSISDBHSA-N 488.564 2.140 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CCc1nnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1748824054 HXAGLCWRLTYJDM-QGZVFWFLSA-N 490.586 2.026 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H](C1CCCCC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1748824076 IICVINSSHBYMJH-PCCBWWKXSA-N 463.648 2.267 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@]1(O)CCS(=O)(=O)C1 1748882454 SKENXYKSSGOWJM-UZUQRXQVSA-N 472.636 2.144 30 10 JEEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(NC(=O)NC(C)C)cc2)CC1 1748986449 AGXKUKCCXUBOQV-UHFFFAOYSA-N 461.574 2.012 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2Cc2nnc(CC)s2)CC1 1749000548 XIZJSXYVSANVNW-UHFFFAOYSA-N 453.572 2.083 30 10 JEEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCN(Cc2noc(C)n2)CC1 1749114346 ALIOULNRFJAEOG-WMZOPIPTSA-N 496.410 2.314 30 10 JEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ccc(C)cc1)C1CC1 1749519236 HDTBZGWIVXSAKZ-HXUWFJFHSA-N 461.588 2.153 30 10 JEEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccoc1C 1749755997 PZDZLOBQEMOCGN-KRWDZBQOSA-N 455.606 2.068 30 10 JEEE N#Cc1ccccc1N1CCN(c2nnc(-c3ccc[nH]3)n2CC(=O)NCC(F)(F)F)CC1 1750384593 GOXCWJGZVXDWMY-UHFFFAOYSA-N 458.448 2.150 30 10 JEEE CC1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCCS2(=O)=O)CCO1 1751298790 ASXSIDJZMAFCEP-IBGZPJMESA-N 459.572 2.311 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@@H](CC)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1760183755 DIKJIFSHNHYPTN-WOJBJXKFSA-N 471.627 2.455 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccccc1OC(C)C)[C@@H]1CCS(=O)(=O)C1 1760186429 CMOGILCWDLVOAV-VQTJNVASSA-N 458.584 2.244 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCCn1nc(C)cc1C)[C@H]1CCS(=O)(=O)C1 1760188508 BFOFUQYDRZZULJ-FQEVSTJZSA-N 487.655 2.164 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCC1CC(OCC)C1)[C@@H]1CCS(=O)(=O)C1 1760189051 GGZHACUXPXHMRF-SKINQDTJSA-N 477.656 2.466 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@](C)(O)c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1760190575 XOULKEIRWWFTFM-REWPJTCUSA-N 469.542 2.014 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H](C)Oc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1760193016 REARFYQCJALCQM-ILZDJORESA-N 462.547 2.363 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2CC(=C)Br)CC1 1760270996 HVHUEADHKTXHKL-UHFFFAOYSA-N 491.415 2.144 30 10 JEEE C#CCSCCn1c(N2C[C@@H]3[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]3C2)nnc1C(C)(C)C 1760286427 LCWDRJBPYHTEJB-ZACQAIPSSA-N 497.687 2.069 30 10 JEEE C=C(Cl)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1760370581 XRFZLIUQSNJYLA-UHFFFAOYSA-N 467.961 2.419 30 10 JEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCNC(=O)c2cccc(C)c2)CC1 1760397350 RASOHXIBYXSSLP-KRWDZBQOSA-N 460.604 2.029 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(C(=O)CC2CCCCC2)CC1 1760525463 GZASLLKHLGIDLZ-UHFFFAOYSA-N 465.602 2.185 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCO[C@@H](c2ccc(F)cc2)C1 1760553930 MDXLHSQFPJUODO-LJQANCHMSA-N 458.519 2.053 30 10 JEEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1760559777 KSQFEVPFOAMMHM-SJORKVTESA-N 453.638 2.154 30 10 JEEE CC(C)(C)NC(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@@](F)(C#N)C1 1760770681 CHKMAMQYFMAISK-HSZRJFAPSA-N 469.569 2.199 30 10 JEEE CN(C[C@H]1CCOC1)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCS(=O)(=O)C1 1767247819 DHZMKRPWVKBWCX-RTBURBONSA-N 459.572 2.026 30 10 JEEE CN(c1ccc(NC(=O)[C@H]2CCCN2C(=O)C(F)(F)F)cn1)S(=O)(=O)c1ccccc1C#N 1858264129 RTTZQFYLWGPJJN-OAHLLOKOSA-N 481.456 2.270 30 10 JEEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1cccc([N+](=O)[O-])c1 1862753968 AKOACORFBXIVBB-SFHVURJKSA-N 454.395 2.217 30 10 JEEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccc([N+](=O)[O-])cc1 1865724731 WKEUXXSGRRURLH-QGZVFWFLSA-N 485.541 2.164 30 10 JEEE CCN(CC)CCNC(=O)[C@@H](CSCc1ccccc1)N=C1NS(=O)(=O)c2ccccc21 1869932134 VDLGALAYIPNIGG-HXUWFJFHSA-N 474.652 2.485 30 10 JEEE CC(=O)Nc1ccc(C)c(-n2nnc(C#N)c2NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)c1 1870149215 IMEXTKMOSXXGNX-SFHVURJKSA-N 457.494 2.393 30 10 JEEE N#Cc1nnn(-c2ccc3nc[nH]c3c2)c1NC(=O)CN1C(=O)c2ccc(Br)cc2C1=O 1870155426 MNLCIZVCNBDQFR-UHFFFAOYSA-N 491.265 2.012 30 10 JEEE C#CCOc1cn(CCCN2CCCC2=O)c(CN2CCN(c3ccc(F)cc3)CC2)cc1=O 1870558424 DHWWPMCVLPXOGE-UHFFFAOYSA-N 466.557 2.334 30 10 JEEE COc1cc(/C=N/Nc2cnn([C@@H]3CCS(=O)(=O)C3)c(=O)c2Br)cc(Cl)c1O 1873527426 YZDUBADVYMPMPT-GFKCFBEASA-N 491.751 2.179 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)[C@H](F)C1 2124519728 MIXGVOJDFKTFAE-HUUCEWRRSA-N 450.320 2.309 30 10 JEEE CC1=C(B2OC(C)(C)C(C)(C)O2)CN(C(=O)[C@@H]2CN(C)C(=O)CN2C(=O)OC(C)(C)C)CC1 2201802241 SXOBLGDOSGSCNJ-KRWDZBQOSA-N 463.384 2.244 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2COC[C@@]2(C(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)C1 2206624971 UQWGXEWGXWYHRZ-WNSKOXEYSA-N 459.352 2.203 30 10 JEEE C=C1CC(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 2220107816 CJXGCWNZMPKBMX-ZACQAIPSSA-N 451.564 2.286 30 10 JEEE CON(CCNC(=O)OC(C)(C)C)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2247881409 XJOVLHPYCAWNHH-UHFFFAOYSA-N 462.399 2.124 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCOCCNC(=O)OC(C)(C)C 2255625551 SIGJALFCJKIXOX-UHFFFAOYSA-N 455.386 2.022 30 10 JEEE CC1(C)OB(c2occc2C(=O)N[C@H]2CCOC[C@H]2NC(=O)OCc2ccccc2)OC1(C)C 2255703439 SBHSMKWBKBTZFV-RBUKOAKNSA-N 470.331 2.393 30 10 JEEE CCON(CCNC(=O)OC(C)(C)C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1CC 2267127945 MQAKMAQITPTDHK-UHFFFAOYSA-N 452.361 2.121 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)[C@@](C)(CO)C1 2267560241 AFMWVGKSXADYCO-JOCHJYFZSA-N 450.341 2.023 30 10 JEEE C=C(CS(=O)(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1CO)B1OC(C)(C)C(C)(C)O1 2267724734 OFCIXGORRJRXTL-DLBZAZTESA-N 474.429 2.101 30 10 JEEE Cn1cc(C(=O)N[C@@H]2C[C@H](NC(=O)OC(C)(C)C)C23CCC3)c(B2OC(C)(C)C(C)(C)O2)n1 2281967494 YFPLZNKFNXYXHG-CVEARBPZSA-N 460.384 2.285 30 10 JEEE CCc1nn(C)c(C(=O)NC[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2281979237 LSKUCMPWWHLVHG-GASCZTMLSA-N 462.400 2.315 30 10 JEEE Cn1nc(C(=O)N2CCC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)cc1B1OC(C)(C)C(C)(C)O1 2281981562 ODXFWGDWCNQEGS-DOTOQJQBSA-N 460.384 2.191 30 10 JEEE Cc1nn(C)c(C(=O)N[C@@H]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)c1B1OC(C)(C)C(C)(C)O1 2281987241 YMXFPAQPHNSKHW-HRCADAONSA-N 460.384 2.013 30 10 JEEE CC(C)(C)OC(=O)N1CC(CCO)(NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2Cl)C1 2281991568 BRIVJSTZCRILHM-UHFFFAOYSA-N 481.786 2.136 30 10 JEEE Cc1ccnc(C(=O)N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2281998417 OMBBGWOVBUGBTJ-MRXNPFEDSA-N 461.368 2.055 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 2282005418 PMMPEBDAHFKNGU-HOCLYGCPSA-N 462.400 2.403 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@@H]1CN(CCO)C(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2282012664 YWGCISSQHOJMND-OAHLLOKOSA-N 481.424 2.276 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCCC[C@@H](CNC(=O)OC(C)(C)C)C1 2282063808 QUUSJDQSOYLHHI-INIZCTEOSA-N 462.400 2.486 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CC[C@@H](NC(=O)C(F)(F)F)[C@H](C)C1 2282126279 IGQZSWFHYXDPIN-UKRRQHHQSA-N 457.302 2.336 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](CO)[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)CC1 2282193927 SNGYMTPCUDZFKU-DOTOQJQBSA-N 463.384 2.052 30 10 JEEE CC1(C)OB(c2ccc(S(=O)(=O)N3C[C@H]4OCCN(Cc5ccccc5)[C@@H]4C3)s2)OC1(C)C 2282334878 HRWVNWSUBZBFNH-RTBURBONSA-N 490.456 2.321 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2C(CNS(=O)(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)cc3)[C@H]2C1 2282346315 MUFDEQUKZHSIGP-RTBURBONSA-N 478.420 2.377 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@H]1CNC(=O)c1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2282476470 BROHSMHEBWFJDZ-MRXNPFEDSA-N 464.343 2.491 30 10 JEEE COc1ccc(S(=O)(=O)N[C@H]2C[C@@H]2CNC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2282492855 QWQOOMOLYUCJBE-PBHICJAKSA-N 482.408 2.186 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2CCN(Cc3ccccc3)C[C@@H]2C1 2282534068 QTFYORVTAFDNBQ-WOJBJXKFSA-N 450.392 2.313 30 10 JEEE Cc1cc(C(=O)N=c2nc(CNC(=O)OC(C)(C)C)[nH]n2C)c(B2OC(C)(C)C(C)(C)O2)s1 2282609074 DDWLHEVAJSJEFL-UHFFFAOYSA-N 477.396 2.183 30 10 JEEE C[C@H](NC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1)C1(O)CCN(C(=O)OC(C)(C)C)CC1 2282625723 ZFBNXYGZTUJPON-AWEZNQCLSA-N 481.424 2.323 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@]2(NC(=O)c3nccnc3B3OC(C)(C)C(C)(C)O3)CCC[C@H]12 2283057878 ABXUKDIYEDARIG-NPMXOYFQSA-N 458.368 2.438 30 10 JEEE CC(C)(C)OC(=O)N1[C@H](C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)COCC1(C)C 2283948117 JDVBSVHILJEKGY-HNNXBMFYSA-N 481.424 2.473 30 10 JEEE COc1ccc(NC(=O)[C@H]2COC[C@H]2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2283968961 HJMQSKLYZXGSCJ-MAUKXSAKSA-N 462.352 2.473 30 10 JEEE CC(C)(C)OC(=O)N[C@@]1(C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C[C@@H](O)C1(C)C 2284050975 HEDHEELQBXKAPN-IQMFZBJNSA-N 461.368 2.374 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]1C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2285181983 CLXPDJGEASMZTM-MSOLQXFVSA-N 464.343 2.423 30 10 JEEE CN(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)[C@@H]1CN(C(=O)OC(C)(C)C)CC12CC2 2287010515 UZTBHLFABCIXFZ-MRXNPFEDSA-N 460.384 2.191 30 10 JEEE CC(C)(C)OC(=O)N(CC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1)C[C@@H]1CCCO1 2288016882 NEJMKIKYNYZEFG-INIZCTEOSA-N 462.356 2.130 30 10 JEEE COc1cccc([C@@H]2C(=C(O)c3ccc(OC)c(OC)c3)C(=O)C(=O)N2CCN2CCOCC2)c1 2296098907 LULGIUARFHNSQP-HSZRJFAPSA-N 482.533 2.466 30 10 JEEE Cc1ccc(CNC(=O)C2(NC(=O)OC(C)(C)C)CC(O)C2)cc1B1OC(C)(C)C(C)(C)O1 2296187065 VOKFHINPAQUUPW-UHFFFAOYSA-N 460.380 2.329 30 10 JEEE COc1ccc(C=Nn2c(COc3ccccc3OC)nnc2SCC(N)=O)cc1OC 2328261401 XCLAFAPKBISWBS-UHFFFAOYSA-N 457.512 2.343 30 10 JEEE CC(=O)NCc1nnc(SCC(=O)Nc2ccccc2)n1N=Cc1ccc([N+](=O)[O-])cc1 2330725145 VVWYRDHBLIBRFH-UHFFFAOYSA-N 453.484 2.435 30 10 JEEE CC1(C)OB(c2sncc2C(=O)NC[C@@]2(O)CCCN(Cc3ccccc3)C2)OC1(C)C 2337335551 ATDPLWWWARBNHW-QHCPKHFHSA-N 457.405 2.199 30 10 JEEE CC(C)(C)OC(=O)N1CC([C@@H]2C(=O)NCCN2C(=O)[C@H]2C[C@@H](B3OC(C)(C)C(C)(C)O3)C2)C1 2379813070 GHZKYJVXZZYHHI-HYVNUMGLSA-N 463.384 2.053 30 10 JEEE CC(C)(C)OC(=O)NCc1c[nH][nH]c1=NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1O 2380499877 WEIVNBASXZNHGS-UHFFFAOYSA-N 458.324 2.113 30 10 JEEE C=CCn1c(COC)nnc1SCC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)CC)cc1 20426148 HWOHVAYPINATJH-CQSZACIVSA-N 453.590 2.418 30 10 JEEE Cc1nn(C)c(C)c1/C(O)=C1/C(=O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccc(Cl)cc1 102752479 SYDSLSWKFABTCF-GOBJLOIFSA-N 458.946 2.444 30 10 JEEE CC(=NNc1nc2c(c(=O)n(C)c(=O)n2C)n1C[C@H](O)COc1ccccc1C)c1ccccc1 254348882 GUKATGUIVISIMO-IBGZPJMESA-N 476.537 2.018 30 10 JEEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CCC(=O)N(CCCC)[C@H]2c2ccccc2OC)CC1 512718325 LZUGIJJTYFGBPN-BWKNWUBXSA-N 470.614 2.221 30 10 JEEE C#Cc1cccc(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3ccc(S(C)(=O)=O)cc3)c2=O)c1 726582904 WPAKQBMHKXHGMZ-UHFFFAOYSA-N 488.590 2.156 30 10 JEEE COc1ccc(C=NNc2nc(S[C@@H](C)C(=O)NC3CC3)n[nH]2)cc1OCn1cccn1 1084133242 QUQISGFXZQYEQZ-ZDUSSCGKSA-N 456.532 2.252 30 10 JEEE COc1cc(NC(=O)CN(C)C(=O)CCc2c(C)nc3c(C#N)cnn3c2C)cc(OC)c1 1126815914 HWPPXONDWINQEK-UHFFFAOYSA-N 450.499 2.265 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCOC[C@H]1CCCO1 1286286543 ZAZQBHLNFCOLRK-QZTJIDSGSA-N 460.604 2.282 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3OCC[C@H]3COC)n2Cc2cc(C)nn2C)c1 1286311428 IASOSKPCXGTXQA-CVDCTZTESA-N 477.569 2.149 30 10 JEEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1Cc1nnc2n1CCCCC2 1286364855 MEGRIZVJXRZWJC-UHFFFAOYSA-N 451.531 2.407 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@@H]1CCCN1CCC)[C@@H]1CCS(=O)(=O)C1 1286398363 XPYDNTCTKIONIG-LEWJYISDSA-N 489.617 2.497 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(COc3ccccc3)o2)n1CC1(C(N)=O)CCOCC1 1286406508 VWKOZDSJGIFHIM-UHFFFAOYSA-N 473.533 2.472 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccc3F)n2C[C@]2(O)CCSC2)n1 1286471771 QIWOGSXULLHSGZ-HSZRJFAPSA-N 470.574 2.435 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2c(C)coc2C)CC1 1286473485 MOPRWIILNJHCST-UHFFFAOYSA-N 453.568 2.362 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1286507985 FDKCRVQHVDLSEX-QZTJIDSGSA-N 497.687 2.382 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)c2ccsc2)CC1 1286550057 YWOINWQPDPKOPA-PKOBYXMFSA-N 472.615 2.421 30 10 JEEE C=C1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CCS(=O)(=O)NC(C)C)CC1 1286639031 VPANWNSHAIKSOE-UHFFFAOYSA-N 495.675 2.031 30 10 JEEE C=C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCc2ccn(C)n2)CC1 1286640643 MBYKUFNRUYASGA-UHFFFAOYSA-N 455.588 2.328 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)c2cccc(Cl)c2)CC1 1286818311 GLJTUZUFOMXFBW-UHFFFAOYSA-N 489.001 2.490 30 10 JEEE CC[C@H](C)NC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(C)CCCO2)CC1 1291838722 DPSZYOHOZCVAER-RXFWQSSRSA-N 495.628 2.335 30 10 JEEE CCC(CC)c1cc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@@H](C)CC#N)on1 1291976632 DEVXZLCWPFCYDK-KXBFYZLASA-N 479.607 2.289 30 10 JEEE CCNC(=O)C1(Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)CCC1 1296259378 ICMIIXGVHSAPLI-IAGOWNOFSA-N 472.615 2.381 30 10 JEEE CCOCc1nnc(N2CCN(c3c(C#N)cnc4ccccc34)CC2)n1C[C@](C)(O)CCOC 1297270992 HEOGZGFKLJXGGV-RUZDIDTESA-N 479.585 2.349 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccc(C)n3)n2CCS(=O)(=O)NC(C)C)c1 1300332657 KJXGXYPAMDQMAA-UHFFFAOYSA-N 495.609 2.033 30 10 JEEE C#CCCCCn1c(-c2cccc(OC)c2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1300345296 SHNRLXCXMZEWSY-UHFFFAOYSA-N 497.625 2.310 30 10 JEEE C#CCCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(Cc2nc(COC)no2)CC1 1300394668 VIMYNHDYVYYSOS-UHFFFAOYSA-N 451.531 2.219 30 10 JEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CCN1CCc2sccc2C1 1300544845 HBJSTTFHOCDOKV-UHFFFAOYSA-N 464.620 2.462 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC1CC1 1300649380 LPVHFQKRIGGJFS-HXUWFJFHSA-N 461.563 2.190 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@](C)(O)CCC)CC1 1300688411 DVVWFIYTNZWBEB-XMMPIXPASA-N 457.575 2.277 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC(=O)N(C)CC)CC1 1300712147 NFTBQCHERMQCPB-QGZVFWFLSA-N 470.549 2.001 30 10 JEEE C=C(Br)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(C)C(=O)[C@@H]1C 1300829562 HSHRMXHNPKCOAD-AWEZNQCLSA-N 496.435 2.122 30 10 JEEE C=C1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H](COC)OC)CC1 1301087281 ZOFGSULJODROCF-QZTJIDSGSA-N 451.568 2.404 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1301518442 GSSJIJKLANCTIQ-JOCHJYFZSA-N 475.640 2.196 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CCC(=O)N2CCCCC2)C1 1301565683 JFERGXQURLSRLH-GOSISDBHSA-N 472.615 2.454 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC(CO)CC1 1301569177 RXRFEYGRLJSQSY-INIZCTEOSA-N 452.552 2.367 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(Cl)c1 1303638584 AKONEFHUDHHZPX-WMLDXEAASA-N 452.968 2.051 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCCS(C)(=O)=O)CC1 1359030226 QUTJWZRQPVZIIU-FQEVSTJZSA-N 459.616 2.225 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 1359036011 KHSYJHGELYPXFL-VQTJNVASSA-N 458.607 2.184 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](c2ccco2)N(C)C)CC1 1359038993 SJYZEQQEYAGQFP-JOCHJYFZSA-N 459.554 2.380 30 10 JEEE C#CCN1CCN(c2nnc(CSc3ccccc3OC)n2CC2([S@@](C)=O)CC2)CC1 1359039894 ZWPVHDGUCJNRBW-WJOKGBTCSA-N 459.641 2.245 30 10 JEEE C=C(C)Cn1c(COc2ccccc2OC)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1359124531 LNSHFNFJXVBNSE-UHFFFAOYSA-N 463.542 2.262 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 1359183623 PWTMORXQWHELEH-QGZVFWFLSA-N 492.621 2.479 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCO[C@H](C)C1)C(C)C 1359266345 YSYRTDUFNNCEFB-QHAWAJNXSA-N 465.664 2.494 30 10 JEEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(C)cc1N1CCOCC1 1359278190 LDKXVBZLRMWHSK-UHFFFAOYSA-N 468.602 2.346 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](c2nc(C(C)C)cs2)C1 1359292196 KAZJNKGZFOMIBK-HZPDHXFCSA-N 495.675 2.154 30 10 JEEE C#CCN(c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCCCOC)[C@@H]1CCS(=O)(=O)C1 1507626572 OFDMIERBKPWTCS-LJQANCHMSA-N 468.583 2.389 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1Cc1cccc(Cl)c1C)[C@H]1CCS(=O)(=O)C1 1507630934 JTFLQXWNCQKXTK-KRWDZBQOSA-N 456.959 2.372 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@]2(O)CCO[C@@H]2C)CC1 1507719624 AAOPIEFQOOAWFG-QVKFZJNVSA-N 478.366 2.142 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCN2CCSCC2)CC1 1507735333 SMASKXAGZQQTNL-UHFFFAOYSA-N 474.034 2.008 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2OC)n1CCN1CCN(C(C)=O)CC1 1507773715 LHEDMSFNXBVNRU-RUZDIDTESA-N 450.587 2.034 30 10 JEEE C=C(C)COCCn1c(-c2ccc(OC)cc2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1507840714 OQGCDZJMFOCZLF-XMMPIXPASA-N 468.558 2.361 30 10 JEEE C=C(C)COCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@](C)(C(=O)NC)C1 1507844788 PNMQVKBFQSFJNT-DEOSSOPVSA-N 468.606 2.007 30 10 JEEE C=C(C)COCCn1c(Cc2ccsc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1507846196 FGFZVXUXJPJMCF-UHFFFAOYSA-N 458.632 2.268 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c([C@H]2CCCCO2)nnc1N1CCS(=O)(=O)CC1)C(C)C 1508015009 ZQNXFHZFYNHJKB-VQTJNVASSA-N 451.637 2.453 30 10 JEEE C=CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1508051253 RCYDOKLBWGIFDY-SFHVURJKSA-N 454.575 2.281 30 10 JEEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1508061631 UUCUHLRQMPDMJO-UHFFFAOYSA-N 487.649 2.323 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1508088568 ZFXXKYWRYDAWHE-FQEVSTJZSA-N 466.565 2.435 30 10 JEEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOc1cccc(C(F)(F)F)n1 1509950239 DXYITHOMTOTAJW-KGLIPLIRSA-N 472.493 2.411 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)Nc3ccccn3)n2Cc2cc(C)nn2C)c1 1539038460 PGHURJCCRSPKAJ-UHFFFAOYSA-N 483.536 2.072 30 10 JEEE C#CCN(C)c1nnc(Cc2ccccc2OC)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1539185165 BGHIWAZYVVHPKI-PMACEKPBSA-N 451.550 2.293 30 10 JEEE C#CCN(c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC(=O)NCCC)[C@@H]1CCS(=O)(=O)C1 1539212150 NCVXHZGHODPCJS-HXUWFJFHSA-N 471.627 2.396 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccc(C)n3)n2C[C@H]2CCCN(C(C)=O)C2)n1 1539423676 BYLVTLKUCCJDDO-QFIPXVFZSA-N 490.612 2.390 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccccc3Br)n2C[C@](C)(O)CCOC)CC1 1539441406 NVFLYMRILOASEE-OAQYLSRUSA-N 462.392 2.250 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCSCC#C)CC1 1539470775 ZEYOBXAJPWBSNB-UHFFFAOYSA-N 452.540 2.186 30 10 JEEE C=C(Cl)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1539782834 DHROPGIBEOZBGR-HXUWFJFHSA-N 459.894 2.420 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1539915879 FQWJXGHWJBNVMQ-LJQANCHMSA-N 458.607 2.393 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cn2nc(C)cc2C)n1CCN1CCCS1(=O)=O 1540129107 RWQKZPLKNALXCN-UHFFFAOYSA-N 494.625 2.240 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1540869521 PCQSBBIWRNCHJA-OALUTQOASA-N 492.628 2.286 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](C(=O)N[C@@H](C)CCC)C1 1540869773 WDQVKELEYRUDIQ-PKOBYXMFSA-N 453.591 2.472 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 1540900847 JZYVQYKDWFOMFB-UHFFFAOYSA-N 486.598 2.185 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1 1540903717 GAJFFDGQBPAAJC-QFIPXVFZSA-N 491.614 2.472 30 10 JEEE COc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1CCCN(C)CC(F)(F)F 1555106805 BKABDRFZQKJTBE-MRXNPFEDSA-N 468.480 2.479 30 10 JEEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1(NC(=O)OC(C)(C)C)COC1 1587904771 NNRPBJKUFUDKLE-UHFFFAOYSA-N 488.976 2.225 30 10 JEEE C#CCN(c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC(=O)NCC=C)[C@H]1CCS(=O)(=O)C1 1588069629 RKMAOWOUWGIQNN-FQEVSTJZSA-N 499.637 2.084 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1(C(=O)NCC)CCC1 1588078102 BBOONTMYORTUBF-UHFFFAOYSA-N 466.973 2.241 30 10 JEEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1588459328 SMJPNIHTVGFQRA-CBQOVEMMSA-N 454.575 2.130 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2CCCN2C[C@@H](C)O[C@H](C)C2)CC1 1588872122 XEDVGFNNNQKPDW-FGZHOGPDSA-N 482.629 2.120 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(C)(C)N[C@H](C)c2ccccc2)CC1 1588923917 QJMVGYDPJUYJJN-DENIHFKCSA-N 491.640 2.324 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2cc(C(C)(C)C)no2)CC1 1588930006 KYYZTCRFAVPFRY-GOSISDBHSA-N 454.575 2.472 30 10 JEEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN(Cc2cc(OC)cc(OC)c2)CC1 1589052956 BESQTUJCIMMBFZ-UHFFFAOYSA-N 479.610 2.441 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@](C)(O)CCOC 1589163950 OTSVSCXHEYPYNG-PKTZIBPZSA-N 474.631 2.326 30 10 JEEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1593696253 MIHVEQSRJFIKMT-UXHICEINSA-N 469.590 2.065 30 10 JEEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1593696516 ROPZAOMRFJETRK-SFHVURJKSA-N 450.547 2.321 30 10 JEEE C=CCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1595386794 GWKYQVRUYDFSSA-UHFFFAOYSA-N 485.614 2.111 30 10 JEEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN2CCCC[C@@H]2C1 1595543900 BFUXPXFWZUSCNJ-HXUWFJFHSA-N 487.649 2.369 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 1595562021 LLHGPJBNSZRPRV-SFHVURJKSA-N 455.563 2.012 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(c2cnn(C)c2)CC1 1595760519 OLSXPMMXOXAFSX-QFIPXVFZSA-N 483.642 2.481 30 10 JEEE C[C@H]1C[C@@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@@H]2O)[C@H](C)C(=O)O[C@@H]([C@@H](C)O)[C@@H](C)C=CC1=O 1615671703 UEIVQYHYALXCBD-NIXNLFJASA-N 469.619 2.164 30 10 JEEE biogenic CCS[C@@H]1CC[C@H](N(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1617473256 IBVAXJXZZHUEAZ-NNMXDRDESA-N 475.640 2.477 30 10 JEEE COC1(CCn2c(-c3cccc(C#N)c3)nnc2N2CCN(CC(=O)NC(C)C)CC2)CCC1 1619044183 CNBSWVCMJMMBNS-UHFFFAOYSA-N 465.602 2.423 30 10 JEEE CC[C@@H]1Oc2cc([C@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c3ccc(C#N)cc3)ccc2NC1=O 1620715653 DKZXLNOTUZBDTP-KSMMKXTCSA-N 456.524 2.212 30 10 JEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2C[C@@H]3CCC[C@]3(CNC(=O)OC(C)(C)C)C2)cc1 1639940233 NJQGTDXHHDVTLN-MBSDFSHPSA-N 461.584 2.365 30 10 JEEE C=C(Cl)C[C@@H](NS(=O)(=O)c1cc(Cl)cc(C(=O)N(C)C)c1OC)C(=O)OCC 1670886396 OEKHAGOAJNLJBN-CYBMUJFWSA-N 453.344 2.403 30 10 JEEE C#CCn1ccc(CN(CCOC)C(=O)NC[C@H](c2ccc(Cl)cc2)N2CCOCC2)n1 1677844020 ZSFKVXNGJUACPZ-JOCHJYFZSA-N 459.978 2.401 30 10 JEEE C=C[C@@H]1OCC[C@H]1CNC(=O)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1682167015 KRBBHWCGGBPLDX-FFGOWVMKSA-N 477.606 2.155 30 10 JEEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1689908054 VDPRRTULSONFPL-DYXWJJEUSA-N 464.574 2.182 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CCC(F)(F)C1)[C@H]1CCS(=O)(=O)C1 1689982860 VXLBMLSYONRRCR-WFXMLNOXSA-N 486.585 2.381 30 10 JEEE C#CCN(c1nnc(-c2ccccc2)n1CCCn1nc(C)cc1C)[C@H]1CCS(=O)(=O)C1 1689985794 BPZCIEXHTRXWBX-NRFANRHFSA-N 452.584 2.475 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCCCN1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1689989570 GYGUJIKKCKFNEQ-FCHUYYIVSA-N 477.675 2.311 30 10 JEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1C[C@H](C)COC)[C@@H]1CCS(=O)(=O)C1 1689992826 PGPRXTSJOMXZPF-QFBILLFUSA-N 450.992 2.432 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCn1cccn1)[C@@H]1CCS(=O)(=O)C1 1689998701 UFNNCCUBXLKJCM-VAMGGRTRSA-N 474.631 2.110 30 10 JEEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(=O)NCCOC)CC1 1690161841 RZTAZIZTNYICCB-UHFFFAOYSA-N 452.584 2.162 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCC(NS(C)(=O)=O)CC1 1690250753 KWFBVYPCLJYVIR-OXQOHEQNSA-N 480.660 2.133 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1ccccc1)C[C@H]1CCCO1 1690288125 JATJLFCIIOMLBP-RTWAWAEBSA-N 475.615 2.373 30 10 JEEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1690319453 NNFTYRGVKCWGJT-GOSISDBHSA-N 455.588 2.039 30 10 JEEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 1690327943 BGKZPQMIQFTQFX-ABAIWWIYSA-N 459.922 2.171 30 10 JEEE CC(=O)N(C)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCCS2(=O)=O)CC1 1690762794 BKAUOVKUFCKNBJ-NRFANRHFSA-N 470.599 2.231 30 10 JEEE CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@H]1CCN(CCc2ccccc2)C1 1692521577 FJIIFXOEERYGSR-HYBUGGRVSA-N 453.566 2.423 30 10 JEEE Cc1ccc(C(=O)NCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@](C)(C#N)C2)cc1F 1693012791 FBOCHQWGVZWCHZ-WZONZLPQSA-N 488.589 2.188 30 10 JEEE CCC(CC)c1cc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C#N)CC2)on1 1694288417 BIXDQFGMZVIYSE-FQEVSTJZSA-N 491.618 2.291 30 10 JEEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCC2CCOCC2)CCN1S(C)(=O)=O 1698453639 HKBVCPYBEACJHJ-SFHVURJKSA-N 472.615 2.494 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(I)cc1 1705494510 BCGKCRIKZVBYRN-DZGCQCFKSA-N 484.363 2.291 30 10 JEEE C#CCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1705524419 LPTOMSVKYCGAEX-NRFANRHFSA-N 450.587 2.407 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1ccc(C)cc1OC)[C@H]1CCS(=O)(=O)C1 1705563577 AFCXKMISYCTERY-FQEVSTJZSA-N 451.552 2.332 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1ccc(OC)c(OCC)c1)[C@H]1CCS(=O)(=O)C1 1705566646 PGNAUMOIZVUSMI-PMACEKPBSA-N 488.610 2.254 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)N1CCc2ccccc2C1 1705589823 WFUOTEHCXJEVDK-FQEVSTJZSA-N 482.654 2.188 30 10 JEEE C#CCN(CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC1(O)CCN(C(C)C)CC1 1705617491 WPUYCYQCTWVNIO-UHFFFAOYSA-N 493.700 2.338 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC2=CCCOC2)CC1 1705646424 FHXYQJITIMHOEG-UHFFFAOYSA-N 465.554 2.275 30 10 JEEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(c2cnccn2)CC1 1705731724 BENJXYUXQLPHBH-UHFFFAOYSA-N 483.598 2.058 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1705899270 MZLDWDZYKWGCCN-UHFFFAOYSA-N 465.558 2.424 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCC(Nc2cccnn2)CC1 1705904889 BIJMIWCRCQJZBG-UHFFFAOYSA-N 462.558 2.051 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C)C1 1705913662 UPTBVTPDXRIPRR-PXNSSMCTSA-N 461.588 2.070 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC[C@H](Nc2ccccc2)C1 1705931968 GYFFBYHSBACDEZ-IBGZPJMESA-N 453.572 2.417 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCc2c(ccnc2N(C)C)C1 1705932901 NIWWKCJSMWOSKQ-UHFFFAOYSA-N 477.594 2.441 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2c[nH]c3ccccc23)nnc1N1CCN(CCOC)[C@H](C)C1 1705934397 LDBJBNAOHJMMTC-GOSISDBHSA-N 472.615 2.184 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCC[C@@H](C(=O)NC)C2)nnc1C1(c2ccccc2)CCC1 1705939077 RGOGXFGLZHKSOZ-LJQANCHMSA-N 471.627 2.311 30 10 JEEE CC[C@H](C)[C@@](C)(O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@](F)(C#N)C1 1708339291 GLQRXIBQZGAISW-SSKFGXFMSA-N 478.594 2.434 30 10 JEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1722326501 URBXHEJBBMRJBF-HXUWFJFHSA-N 493.655 2.012 30 10 JEEE C#CCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1722339966 IJIHMBJJEGBTLJ-IBGZPJMESA-N 462.558 2.419 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(-n2ccnc2C)c(F)c1 1722390769 UOFGVEOADKHBSA-QGZVFWFLSA-N 483.573 2.033 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccc3Cl)n2C[C@@]2(O)CCOC2)n1 1722427441 JFXPDPARXYDDFY-QHCPKHFHSA-N 470.961 2.233 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(NC(N)=O)cc2)CC1 1722443478 UCBXSXJBNLZADI-UHFFFAOYSA-N 492.971 2.498 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2CC(=O)NC2CCCCC2)CC1 1722445826 YCKLMOJOPUSBQN-UHFFFAOYSA-N 478.597 2.368 30 10 JEEE C=C(Cl)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1722545543 IEDFXHMDCLTUSB-HRAATJIYSA-N 482.006 2.332 30 10 JEEE C=CCCCn1c(N(C)CC(=O)N2CCOCC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1722622340 IHQJDOCCNCXJKH-HDICACEKSA-N 462.595 2.310 30 10 JEEE C=CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1722686277 VTLIVMPKXMLGGY-UPCLLVRISA-N 487.605 2.393 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)ccc2C)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1722731956 SFXSGHAZEIJOQC-QHCPKHFHSA-N 489.598 2.106 30 10 JEEE CCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1Cc1cccc(CS(C)(=O)=O)c1 1727602091 DXPIYCXMEJBBKL-UHFFFAOYSA-N 465.583 2.027 30 10 JEEE CCS(=O)(=O)NCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@@H](C)CC#N 1729224838 DZGXHCKBZJYYSL-DLBZAZTESA-N 483.639 2.070 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1Cc1ccc(F)cn1)[C@H]1CCS(=O)(=O)C1 1740620887 YSVIYPMIGULMBF-IBGZPJMESA-N 455.515 2.163 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1ccccc1OCC)[C@H]1CCS(=O)(=O)C1 1740622228 WHRADOKPIVNUHL-IBGZPJMESA-N 451.552 2.414 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1Cc1csc([C@H](C)OC)n1)[C@@H]1CCS(=O)(=O)C1 1740627816 SOSHVDTURQMQNP-DOTOQJQBSA-N 451.618 2.316 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(OCCCOC)CC1 1740744426 AWAGTWJBFFIROK-OAHLLOKOSA-N 477.425 2.111 30 10 JEEE C=C(C)COCCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@]2(CNC(=O)C2)C1 1740788086 PFKFUOJDMIJZOZ-FQEVSTJZSA-N 463.380 2.355 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCCCS2)CC1 1740839643 MNNNWXNAVLLFQV-MSOLQXFVSA-N 455.650 2.299 30 10 JEEE C=CC1CCN(c2nnc(CN3CCCC3=O)n2Cc2cccc(CS(C)(=O)=O)c2)CC1 1740841649 UUBIEUANKXFFRY-UHFFFAOYSA-N 457.600 2.396 30 10 JEEE C=CCCCCn1c(N2CCC([C@H]3NC(=O)N(C)C3=O)CC2)nnc1[C@]1(OCC)CCOC1 1740866905 RCUJVTWUMYWKSI-JPYJTQIMSA-N 460.579 2.053 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(=Cc2cccc(OC)c2)CC1 1740958777 UXULNBOYNVTNNM-HXUWFJFHSA-N 450.543 2.224 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1740987235 CUFGSZKTYQACPR-SJORKVTESA-N 462.576 2.373 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CC[C@H](N2CCCCC2)C1 1740992967 QALYTNUUIVOZDO-IBGZPJMESA-N 464.661 2.299 30 10 JEEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1741005304 HYLHRPMBIRDILH-LJQANCHMSA-N 459.620 2.038 30 10 JEEE CC[C@@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@]1(N(C)C)CCSC1 1743743693 HQKUXYFHEXXCIX-UZUQRXQVSA-N 471.679 2.469 30 10 JEEE CCc1nc(CCn2c(-c3cccc(C#N)c3)nnc2N(C)[C@H](C)[C@H](C)S(C)(=O)=O)no1 1744463886 CXSKAYKSNAMRRC-CABCVRRESA-N 457.560 2.263 30 10 JEEE CCc1nc(CCn2c(-c3cccc(C#N)c3)nnc2N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)no1 1744463888 CXSKAYKSNAMRRC-HUUCEWRRSA-N 457.560 2.263 30 10 JEEE CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1CC1([S@@](C)=O)CCC1 1747395535 FKCSBECOGCBANY-XHDOVSQSSA-N 463.629 2.377 30 10 JEEE Cn1ccc(CCn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@H](C(=O)NCC(F)(F)F)C2)n1 1748023107 HJVFZFAADWXJDJ-KRWDZBQOSA-N 472.475 2.298 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccsc3)n2C[C@@]2(C)CN(C)C2=O)c1 1748694718 MEGCUOLXZCCVCS-XMMPIXPASA-N 462.579 2.465 30 10 JEEE C#CCCCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1748719340 YENKYVBOBVHZOB-UHFFFAOYSA-N 475.597 2.327 30 10 JEEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1CCC1(O)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1748804032 CJGPUOPQHYEAQK-FGZHOGPDSA-N 486.638 2.378 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCc1cc(F)cc(F)c1)[C@H]1CCS(=O)(=O)C1 1748818485 ZXXXXDOTNMRGKZ-PXNSSMCTSA-N 464.538 2.320 30 10 JEEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1Cc1cccc(N2CCOCC2)c1 1748868518 YGUWPWRMPRWPPZ-SANMLTNESA-N 463.582 2.278 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CC2(O)CCOCC2)CC1 1748977548 IMVQQZDCKRROCC-GOSISDBHSA-N 459.978 2.368 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccccc3Br)n2CC2(O)CCOCC2)CC1 1748984680 PKQJGNASIDISKL-UHFFFAOYSA-N 460.376 2.004 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2csc(C(C)(C)C)n2)CC1 1749001453 RNMIXHPTQLOJCD-UHFFFAOYSA-N 497.669 2.477 30 10 JEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1c1csc(C)n1 1749022581 KPVUWKCLSJWKPT-CZUORRHYSA-N 454.647 2.361 30 10 JEEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1749024729 ZPNYFTXRYFAUDS-QGZVFWFLSA-N 492.627 2.328 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 1749097647 GGJGVEHKAABGOW-QWHCGFSZSA-N 466.340 2.222 30 10 JEEE C=C1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@]2(N3CCOCC3)CCSC2)CC1 1749291255 CILMUNNMGKMKRH-DENIHFKCSA-N 451.637 2.366 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1749368113 BGYDMYUXLCSVBS-FHWLQOOXSA-N 467.636 2.219 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1CCN(C(=O)OC)CC1 1749591035 LYJMJQYGAWQOCS-IBGZPJMESA-N 491.614 2.487 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CC[C@@H](C(=O)N(C)c2ccccc2)C1 1749670776 VNBYIVUVBPJMIK-QUCCMNQESA-N 452.559 2.311 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1749686734 DYAWWGHWSVXUEV-NRFANRHFSA-N 468.602 2.330 30 10 JEEE CC(C)COC(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCn2cncn2)CC1 1750849593 HTULXUCDKDHBPH-UHFFFAOYSA-N 463.546 2.413 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCN2CCC)c1 1760128160 AFEMGIRXXMUFJZ-UNMCSNQZSA-N 498.653 2.111 30 10 JEEE C#CCN(c1nnc(CCCc2ccccc2)n1CCN1CCSCC1)[C@H]1CCS(=O)(=O)C1 1760192879 ZABBIZPHELHCOK-QFIPXVFZSA-N 487.695 2.129 30 10 JEEE C#CCN(CC#CC)c1nnc(Cn2ccc3ccccc32)n1C[C@H]1CCCN1S(C)(=O)=O 1760222055 VHRMMVZJQPXSHP-OAQYLSRUSA-N 464.595 2.168 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2ccc(SC)cc2)CC1 1760264902 HQKSGQKXKRUBFU-UHFFFAOYSA-N 480.638 2.445 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2csc(C(C)C)n2)CC1 1760265326 XGBQNBXVJOZXQP-UHFFFAOYSA-N 483.642 2.303 30 10 JEEE C#CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC(CC(=O)NC)CC1 1760279993 LHFJZHGURTYZBT-UHFFFAOYSA-N 493.637 2.394 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCS(=O)(=O)N(C)C 1760292764 IHMZEVIXMKZOKC-XMMPIXPASA-N 497.625 2.119 30 10 JEEE C=CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1760435144 ZBLMOHVMSHZDRM-LJQANCHMSA-N 456.576 2.291 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 1760524539 AJPFMHNQNIHTPU-UHFFFAOYSA-N 468.493 2.256 30 10 JEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(c2cnn(CC)c2)CC1 1760526626 QVEQFWDKUFOZST-UHFFFAOYSA-N 451.579 2.042 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@H]2CCN(CC)C2)C1 1760540008 ZFTNYWZZZGDGDW-TZIWHRDSSA-N 488.658 2.319 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccc3OC)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1760546751 VKVAEJWOXSJPAB-UXHICEINSA-N 475.615 2.083 30 10 JEEE Cc1ccc(S(=O)(=O)NCCn2c(C3CCCC3)nnc2N2CCO[C@@H](C#N)C2)s1 1761856107 FKCBYZZBNIWGNX-INIZCTEOSA-N 450.590 2.013 30 10 JEEE CCCNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)c2ccco2)CC1 1766235554 BODNMQBACBIAAQ-UHFFFAOYSA-N 491.552 2.200 30 10 JEEE COC1(CCn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)CCC1 1769753674 BOVBNITWZSKSNB-GOSISDBHSA-N 459.572 2.311 30 10 JEEE O=C(C1=C(O)C(=O)N(CCCN2CCCC2=O)[C@@H]1c1ccc(O)c(O)c1)c1cccc(O)c1 1862592225 YBBQZQABHUWGHI-OAQYLSRUSA-N 452.463 2.394 30 10 JEEE O=C(C1=C(O)C(=O)N(CCCO)[C@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2)c1cccc(O)c1 1862603152 RZGZTSGHXKAIRH-IBGZPJMESA-N 456.407 2.032 30 10 JEEE C=CCOc1ccccc1[C@H]1C(C(=O)N(C)CCO)=C(N)Oc2c1c(C)nn2-c1ccccn1 1865225090 SQIAPQTZRIJDMT-OAQYLSRUSA-N 461.522 2.286 30 10 JEEE Cc1ccc([C@H](C#N)NC(=O)[C@@H](CO)NC(=O)c2ccccc2I)cc1 1867859977 CORDIAKGHFWYNZ-DLBZAZTESA-N 463.275 2.071 30 10 JEEE C=CCn1cc(OCC(=O)NCc2ccccc2)c(=O)cc1CN1CCN(C(=O)OCC)CC1 1870396384 XCVARQVTQUBOKX-UHFFFAOYSA-N 468.554 2.004 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCCOC)cn1CCc1ccc(OC)cc1 1870522072 WBXKJULFBSFORG-UHFFFAOYSA-N 469.582 2.415 30 10 JEEE C=CCn1c(C(=O)NC[C@@H](c2ccc(O)cc2)N(C)C)cc2c(N3CCC(O)CC3)ncnc21 1873595387 AMPOYIMQEVSOOJ-QFIPXVFZSA-N 464.570 2.317 30 10 JEEE N#Cc1cc(-n2nc(C3CNC3)c(I)c2I)ccn1 2070634105 OGUHHGIKGJCIQN-UHFFFAOYSA-N 477.047 2.035 30 10 JEEE COC(=O)C1(C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)CCN(C(=O)OC(C)(C)C)CC1 2177011767 UGKNEQYAVXHUQM-FQEVSTJZSA-N 470.570 2.413 30 10 JEEE CC(C)(C)OC(=O)NCC[S@](C)(=O)=NC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2247835242 IIMCVJRDRHHFEZ-PMERELPUSA-N 459.399 2.205 30 10 JEEE CC1(C)OB(c2cccnc2C(=O)N2CCN(C(=O)OCc3ccccc3)CC2)OC1(C)C 2247927588 MRROPIQVPFCYNQ-UHFFFAOYSA-N 451.332 2.475 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(CNC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)O)s1 2256622255 FICITOZCQJKFQF-BBRMVZONSA-N 454.398 2.246 30 10 JEEE CC(C)N(CCCNC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2267008388 FICKDICRLQOFOF-UHFFFAOYSA-N 450.389 2.485 30 10 JEEE CC(C)(C)OC(=O)N1CC2(C[C@H](O)CN2C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2267129534 CEVNLZVAYGIASO-HNNXBMFYSA-N 464.393 2.244 30 10 JEEE CO[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2267153237 WHYQYETZMXNYBA-HIFRSBDPSA-N 467.397 2.197 30 10 JEEE Cc1nc(C(=O)N[C@@H]2COCC[C@@H]2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2267172002 RIDCPNLHIHSICM-UONOGXRCSA-N 467.397 2.163 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](CO)[C@@H](NC(=O)c2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2267241303 HFAONHGLYOXUAJ-ZBFHGGJFSA-N 466.409 2.395 30 10 JEEE CC(C)[C@H](CNC(=O)OC(C)(C)C)NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2267468600 LQXMMTMOHRAHOK-AWEZNQCLSA-N 489.469 2.411 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@](F)(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2267515825 URVQQTNSMWPEHQ-NRFANRHFSA-N 452.336 2.178 30 10 JEEE Cc1cc(C(=O)NCCC2(O)CN(C(=O)OC(C)(C)C)C2)sc1B1OC(C)(C)C(C)(C)O1 2267601973 FAVNCFLIISNDKK-UHFFFAOYSA-N 466.409 2.457 30 10 JEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NN1CCN(C(=O)OC(C)(C)C)CC1 2267710215 PULSKVPVWLHFLL-UHFFFAOYSA-N 487.453 2.102 30 10 JEEE C[C@H](OCc1ccccc1)[C@@H](NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)O 2269032160 LUHBAIIPNUNHHI-KBXCAEBGSA-N 481.401 2.384 30 10 JEEE Cc1nc(C(=O)N2CC[C@H](CO)[C@H](NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2282017642 MSGAUZZVRLRYEA-HUUCEWRRSA-N 481.424 2.098 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H]2CN(S(=O)(=O)Cc3ncsc3B3OC(C)(C)C(C)(C)O3)C[C@@H]21 2282496067 VOTYLJZAMHSZRI-ZBFHGGJFSA-N 499.464 2.213 30 10 JEEE Cc1nc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@]2(C)CO)c(B2OC(C)(C)C(C)(C)O2)s1 2282521902 CQQVQLWECNPBSG-QFIPXVFZSA-N 481.424 2.195 30 10 JEEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCCCC[C@H]1NC(=O)OC(C)(C)C 2282701762 ZBYCAGNLKJJMJH-HUUCEWRRSA-N 463.388 2.070 30 10 JEEE C[C@@H]1CCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2O)C[C@H]1NC(=O)C(F)(F)F 2282810340 SDUHRFXFAFSNRU-IUODEOHRSA-N 456.270 2.221 30 10 JEEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)N2CC[C@@](C)(NC(=O)C(F)(F)F)C2)OC1(C)C 2282841885 YNRDNOKVFURGNY-GOSISDBHSA-N 496.744 2.471 30 10 JEEE COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1NC(=O)[C@H]1C[C@H](O)CN1C(=O)OC(C)(C)C 2283951630 YADSATWXASHARG-DOTOQJQBSA-N 462.352 2.303 30 10 JEEE COC[C@@H](ONC(=O)OC(C)(C)C)C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccc1OC 2283962114 CWGCJKHHXWSWLZ-QGZVFWFLSA-N 466.340 2.404 30 10 JEEE CCCn1c(N2CCOCC2)c(C=C2SC(=S)N(CCCC(=O)O)C2=O)c(C)c(C#N)c1=O 2314460792 FERGDMVHNQOAIE-UHFFFAOYSA-N 490.607 2.341 30 10 JEEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(C(=O)O)CCN(C(=O)OC(C)(C)C)CC1 2327117629 CKVWKFLNVUAXOA-OAHLLOKOSA-N 453.536 2.264 30 10 JEEE COc1[nH]c(=NCC[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)ccc1B1OC(C)(C)C(C)(C)O1 2365344987 WDUVYDLBQKEGKG-MRXNPFEDSA-N 463.384 2.249 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CC[C@H](B3OC(C)(C)C(C)(C)O3)C2)S(=O)(=O)C(C)(C)C1 2368345466 JFVUDNQXQYCMHK-JKSUJKDBSA-N 486.440 2.494 30 10 JEEE CC(C)(C)OC(=O)NCc1c[nH][nH]c1=NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2380498546 FAXVUULHZXUWQA-UHFFFAOYSA-N 477.758 2.456 30 10 JEEE COCCN1C(=O)C(=O)/C(=C(\O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@H]1c1ccc(F)cc1 102561141 QNOFEZWVCRHMIJ-LAFOYAEKSA-N 462.499 2.144 30 10 JEEE N#C[C@@](N)(Cn1cnc(I)c1I)c1ccccc1 310721226 RCIVIWAGCDRPIN-GFCCVEGCSA-N 464.048 2.470 30 10 JEEE CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccccc3)c(=O)n2[C@H](C)c2cccs2)CC1 608829686 HHKQWRQNGIDAEK-GOSISDBHSA-N 478.643 2.248 30 10 JEEE Cc1nn(CCO)c(C)c1C=NNc1nnc(SCC(=O)Nc2cccc3ccccc23)n1N 1084237980 MVBDQRSOUBJEFO-UHFFFAOYSA-N 479.570 2.128 30 10 JEEE COc1ccc(C=NNc2nc(SCC(=O)NC(C)(C)C)n[nH]2)cc1OCn1cccn1 1084252512 BVMFSCLTWQERES-UHFFFAOYSA-N 458.548 2.499 30 10 JEEE COc1cc(C=NNc2nnc(SCC(=O)Nc3cc(F)ccc3F)n2N)cc(OC)c1OC 1084272679 IYMZQKDWSZHVMJ-UHFFFAOYSA-N 493.496 2.473 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc(NC(N)=O)cc1 1286284867 IAPSJNMSOIFVMK-HNNXBMFYSA-N 466.571 2.235 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2CCN2CCN(C)C(C)(C)C2)c1 1286312652 XRWBQSPGFHPLLT-JOCHJYFZSA-N 479.629 2.212 30 10 JEEE C#CCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1286356287 FILXSRFQRQEVLB-HXUWFJFHSA-N 450.543 2.360 30 10 JEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1286356332 OHWMIGMAICHPOS-UHFFFAOYSA-N 457.604 2.313 30 10 JEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(=O)NCc1ccccc1 1286377059 RFEXWDODBQEALO-HXUWFJFHSA-N 482.585 2.362 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCC(=O)N1CCCCC1 1286421158 BYJYCOGKGZXFLL-UHFFFAOYSA-N 495.653 2.412 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@](C)(O)c2cccc(Cl)c2)CC1 1286485787 YBXZRZBYQHWZGP-XZOYJPPVSA-N 474.005 2.318 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2C[C@@H]2CCN(CC(F)(F)F)C2)CC1 1286494385 NCCLKELFLKWRKB-QGZVFWFLSA-N 452.525 2.081 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2cnc(C)s2)CC1 1286547338 OJCJWVWGHZEAQD-AZUAARDMSA-N 473.647 2.485 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1286567858 WXIYUIVIZATOMF-WIOPSUGQSA-N 481.645 2.236 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1286568963 ZABMBCGXPXGPBD-PYDOFHOQSA-N 474.533 2.338 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2sc(C)nc2C)CC1 1286663091 GIECYADYVBTJKC-SFHVURJKSA-N 480.660 2.329 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1OC(F)(F)F 1286727670 WVIXYXGDWHYREQ-INIZCTEOSA-N 475.493 2.180 30 10 JEEE C=CCn1c(COc2ccccc2OC)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1286777995 RBSVUCXVNJLDKU-LJQANCHMSA-N 454.575 2.185 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1286780320 DPEUGNPUJLKDRH-MRXNPFEDSA-N 466.464 2.217 30 10 JEEE C=CCNC(=O)Cn1c(N2CCO[C@](C)(c3ccccc3)C2)nnc1[C@]1(OC(C)C)CCOC1 1286793994 RUWVBBPKAWLYMX-DQEYMECFSA-N 469.586 2.373 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCS[C@H](CC)C2)nnc1[C@]1(OC(C)C)CCOC1 1286824917 KBSCDCLSXKYIEF-XLIONFOSSA-N 458.650 2.251 30 10 JEEE CC(C)NS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N(C)Cc1ccc(C#N)cc1 1288273799 BDFYLKQUVJKLJH-UHFFFAOYSA-N 453.572 2.100 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc(Cc2ccncc2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1288528991 DXQUVTMOZHCLNP-IHPCNDPISA-N 451.554 2.348 30 10 JEEE C[C@H](Cn1c(COc2ccc(Br)cc2)nnc1N1CCO[C@H](C#N)C1)N1CCOCC1 1288672656 AHAWRJGRPGXXJD-VQIMIIECSA-N 491.390 2.069 30 10 JEEE Cc1cc([C@](C)(O)Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(NS(C)(=O)=O)CC2)c(C)o1 1289289925 CUOBOYPJBQSXOW-XMMPIXPASA-N 498.609 2.452 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)NC[C@@H](Cc2cccc(F)c2)C(=O)OC)ccc1F 1292997233 KXDFXLJZKVYQLN-MRXNPFEDSA-N 452.479 2.191 30 10 JEEE COc1ccc(OCc2nnc(N3CCC(C#N)CC3)n2C[C@H]2CCCN2CCCO)cc1 1300269862 APUVZXALODJSCI-HXUWFJFHSA-N 454.575 2.452 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CCN2CCC(C)CC2)c1 1300332177 ZHKOABDUGIQPBB-UHFFFAOYSA-N 465.602 2.204 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@@](C)(OC)C2CC2)c1 1300333230 YTOGAQFJKROMJV-NTKDMRAZSA-N 450.543 2.101 30 10 JEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cccc(-n2cncn2)c1 1300464420 DNYBKMMNVGTYFJ-HXUWFJFHSA-N 478.557 2.285 30 10 JEEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1CC[S@@](=O)CC)[C@@H]1CCS(=O)(=O)C1 1300481682 AZBPSOQLSUNKEB-LOFNWHPJSA-N 462.641 2.215 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN(C)C(=O)OC(C)(C)C 1300516648 RYFIIZIKZLSNDU-UHFFFAOYSA-N 471.583 2.288 30 10 JEEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)Cc1ccccc1C 1300761271 AUCSLLXLIPKVEJ-FQEVSTJZSA-N 477.656 2.312 30 10 JEEE C=C(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(CCOC)[C@@H](CCC)C1 1300939299 TWBCIKBKTLJZPK-NRFANRHFSA-N 451.579 2.434 30 10 JEEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](C(F)(F)F)C1 1301510566 YTFHVMVUSGHIMG-ZDUSSCGKSA-N 456.494 2.351 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)CC1CC(F)C1 1301569556 ZCHLCTHCAHKSET-UHFFFAOYSA-N 498.650 2.332 30 10 JEEE CCNC(=O)C1(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N(C)[C@H](C)CC#N)CCC1 1313974365 AGFUXQDIQASVMJ-MRXNPFEDSA-N 458.588 2.393 30 10 JEEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C(C)C)N2CCOCC2)C[C@H]1C 1316125977 AYWRPRLOTMWHTB-ZJSXRUAMSA-N 481.645 2.330 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(NC(=O)CC(C)C)c1 1358872260 RSMWTIWZRQRZAE-DLBZAZTESA-N 460.604 2.379 30 10 JEEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1CCc1ccc(Br)cc1 1359027010 SGOAROZHMBHAKL-UHFFFAOYSA-N 460.376 2.492 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCCc2ccc(OC)cc2)CC1 1359043675 CXYYFTHWYJRKFB-UHFFFAOYSA-N 459.554 2.342 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCCOC2CCOCC2)CC1 1359044651 LDQXGZFTABNMMP-OAQYLSRUSA-N 459.591 2.071 30 10 JEEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1359059873 DBNRZNYBZPBSPG-UHFFFAOYSA-N 489.671 2.220 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCNC(=O)C(C)C 1359069836 ZUEOELXPFXJCIJ-RUZDIDTESA-N 461.570 2.439 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC[C@H](CNC(C)=O)C2)nnc1[C@]1(OCC)CCOC1 1359104532 CJUPBPUUMJZNOO-YOEKFXIASA-N 461.607 2.264 30 10 JEEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1359203086 ICMLWUDAYFVOHT-RBUKOAKNSA-N 467.636 2.099 30 10 JEEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 1359228372 ATPMOHSLUONKQW-GOSISDBHSA-N 462.595 2.487 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@H]1CCCN1CC 1497055525 FIKQSLQNUALGLA-AZUAARDMSA-N 494.648 2.058 30 10 JEEE CN(C)[C@@]1(Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CCO[C@@H](C#N)C2)CCSC1 1503385121 BXWATRPAJNCKOT-PGRDOPGGSA-N 490.033 2.028 30 10 JEEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCc2cnn(C)c2)c1 1503408620 FIXUXPYFSQUZPY-JOCHJYFZSA-N 486.577 2.004 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CCC1(F)CCC1)[C@H]1CCS(=O)(=O)C1 1507629163 ZWDWVEWPQOIHNY-AVRDEDQJSA-N 468.595 2.228 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@H]1CCCCN1CC)[C@H]1CCS(=O)(=O)C1 1507629727 WHNSBVUWVHLITI-RTWAWAEBSA-N 471.627 2.455 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(O)CC(OCC)C1 1507650767 SPWNZIJEAIWLSU-USEFPYCQSA-N 471.602 2.395 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@H](C)N(C)C)CC1 1507734863 AKWJOPGALWWPGH-SFHVURJKSA-N 468.602 2.268 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCOc2ccc(Cl)cc2)CC1 1507738914 HUMQQFMTBXCRFN-SFHVURJKSA-N 457.962 2.480 30 10 JEEE C=C(C)COCCn1c(-c2cccc(OC)c2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1507838542 DDJFXGUQEAATFE-UHFFFAOYSA-N 454.531 2.067 30 10 JEEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC2(CCCCCC2)C1 1507845122 BABHCDQFPFLMMZ-FQEVSTJZSA-N 497.662 2.133 30 10 JEEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1508090295 GUIQNLHSQVFHCS-IFMALSPDSA-N 468.602 2.015 30 10 JEEE C=CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C(N)=O)CC1 1508159849 AZTHZENZAIDZNA-QGZVFWFLSA-N 480.635 2.207 30 10 JEEE CCC(CC)[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1)N(C)C 1513296745 HACIGMNIWPPYSN-SFTDATJTSA-N 495.694 2.107 30 10 JEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)Cn2nc(C(F)(F)F)c3c2CCOC3)cc1 1515901916 KKADNSORWWSUNQ-UHFFFAOYSA-N 458.462 2.420 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1c(C)nn(-c2ccccc2)c1C 1539014554 MENNMMLECCFJSE-QFBILLFUSA-N 452.584 2.489 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1Cc1ccc(OC)nc1)[C@H]1CCS(=O)(=O)C1 1539204995 DOZYKPJWOKDBRR-IBGZPJMESA-N 467.551 2.032 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCCc1nnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1539207183 ZRNASUOVTYAZHG-GOSISDBHSA-N 486.623 2.373 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2CC(=O)NCC(F)(F)F)CC1 1539445789 GGHFTGGCBWXOEF-UHFFFAOYSA-N 473.459 2.034 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(C)C(=O)C1 1539619743 HKWGMKDZHXLFMR-IIBYNOLFSA-N 471.558 2.231 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(CCOC)C(=O)C1 1539622667 IASSPDPIDBBXNC-CVDCTZTESA-N 485.585 2.239 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccnc(C(F)(F)F)c2)CC1 1539849521 XUPAVWMIJPAGIS-MRXNPFEDSA-N 486.520 2.230 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCc2nccs2)CC1 1539890879 VBSFOZIKCDPGBF-KRWDZBQOSA-N 466.633 2.103 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)c1cccc(Cl)c1 1540201224 QTDUGYBZBYKMKX-IERDGZPVSA-N 469.007 2.380 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CCC[C@@H](C(=O)OC)C1 1540864004 MKRVKSMYJIRPPA-OAHLLOKOSA-N 462.348 2.399 30 10 JEEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N(C)Cc1ccc(F)cc1F 1540874992 YIIKASHEYZCMKA-UHFFFAOYSA-N 460.510 2.486 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)NC(C)(C)C 1540880663 NFNLFDNJYORENR-GOSISDBHSA-N 475.615 2.144 30 10 JEEE CC[C@H](C)[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1545251257 DANROZJIVZPONA-WSNOQYBDSA-N 479.629 2.357 30 10 JEEE C=C1CCC(CNC(=O)NCCS(=O)(=O)N2CCN(c3ccc(OC)cc3)CC2)CC1 1565034166 LFUYCCSVMOZUAL-UHFFFAOYSA-N 450.605 2.193 30 10 JEEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)c1 1567282827 KHDYNXAMSDOJCD-GOSISDBHSA-N 451.907 2.479 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC[C@H](c3nnc(S)n3CC)C2)ccc1F 1585567857 UJMLLHORMDPERY-AWEZNQCLSA-N 453.565 2.210 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCn1cc([C@@H]2CCOC2)cn1 1587579600 IILZBQNCCBEZAP-UYAOXDASSA-N 497.625 2.054 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@H](C)CN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1588064228 DMAHDDYJIZNLSK-NQIIRXRSSA-N 490.699 2.383 30 10 JEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2ccc(F)cc2F)C1 1588983986 DZOUWHFSCBCBOT-KSSFIOAISA-N 485.582 2.111 30 10 JEEE C#CCSCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1589036301 BVXINQZNEJYSSZ-UHFFFAOYSA-N 498.609 2.239 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)COC)CC1 1589567098 AHLQYIISQNYDFY-MBSDFSHPSA-N 473.549 2.272 30 10 JEEE C=CCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H](N2CCCC2=O)C1 1594788231 HTUFKDLGILGCEU-IBGZPJMESA-N 473.599 2.142 30 10 JEEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 1595871768 YJTCFERFSNAFMR-SFHVURJKSA-N 477.660 2.485 30 10 JEEE C=CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@H](C(=O)OC)C1 1595878019 GKLAJMFGDBTADV-SFHVURJKSA-N 457.604 2.371 30 10 JEEE CCOC(=O)N[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cnn(C)c2)C1 1616027020 HRXZJLWAKBEIRT-LJQANCHMSA-N 464.530 2.225 30 10 JEEE N#Cc1cccc(-c2ccnc(N[C@@H]3CO[C@@H]4[C@H](NC(=O)c5ccc6c(c5)OCO6)CO[C@H]34)n2)c1 1616133415 UKDFHKHNOGMMRR-DAVBRLECSA-N 471.473 2.121 30 10 JEEE C=CC[S@@](=O)(=NC(=O)Cn1cc(S(=O)(=O)N(CC)CC)ccc1=O)c1ccccc1 1627430110 MMRFJWYPDVBDIA-LJAQVGFWSA-N 451.570 2.119 30 10 JEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C 1630472291 ICDWRAOUDSABQQ-ZTFGCOKTSA-N 450.561 2.177 30 10 JEEE CCS(=O)(=O)c1ccc(N2CCC(NS(=O)(=O)c3ccc(C#N)cc3F)CC2)cc1 1661060171 FITWULCDPKWCMH-UHFFFAOYSA-N 451.545 2.438 30 10 JEEE CC(C)N1CCC(N2CCN(C(=O)N[C@H]3CCCN(c4ccc(C#N)cc4)C3=O)CC2)CC1 1681514791 CFYFYCACUDJLLL-QHCPKHFHSA-N 452.603 2.254 30 10 JEEE C#C[C@H](NC(=O)NC1CCN(C(=O)CCCN(C)C(=O)OC(C)(C)C)CC1)[C@@H]1CCCO1 1681816712 XQZXSJRLMRXULM-OALUTQOASA-N 450.580 2.105 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1C[C@H]1CCCN(C(C)=O)C1)[C@H]1CCS(=O)(=O)C1 1689984754 USGVDTLLDKCGTP-GMAHTHKFSA-N 483.638 2.393 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1CCc1ccccc1OC)[C@@H]1CCS(=O)(=O)C1 1689985929 FLJQPQOQJADAPP-LJQANCHMSA-N 453.568 2.162 30 10 JEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1C[C@@H]1CCCOC1)[C@H]1CCS(=O)(=O)C1 1689993946 OBCXYPBPNYZYDK-SFTDATJTSA-N 472.611 2.125 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCCOC2)n1CCNC(=O)c1cc[nH]n1 1690091616 ZBIRYXLPHDTHPQ-GOSISDBHSA-N 451.506 2.104 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCOc2ccc(F)c(F)c2)CC1 1690113205 CPVLFUQVKHPRJU-HSZRJFAPSA-N 461.513 2.043 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCN2CCC[C@H]2C)CC1 1690139473 OGSNQRDLSHTDLB-LJQANCHMSA-N 480.613 2.412 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 1690144369 WLZOHMSLXOULCB-IBGZPJMESA-N 494.600 2.100 30 10 JEEE C=CC[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCC(NS(C)(=O)=O)CC1)c1ccccc1 1690441753 FZTPCLKRYICPFF-FQEVSTJZSA-N 486.642 2.392 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCN2C[C@H](C)O[C@H](C)C2)C1 1690712006 LVGLRSPAURRDQO-BDTNDASRSA-N 457.623 2.420 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@]2(O)CCOC2)c1 1705508354 TXSCRPQRKRRDPT-RQNQAMLKSA-N 481.597 2.404 30 10 JEEE C#CCCCCn1c(COc2ccccc2F)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1705521300 XCDWEMURTLZVEX-UHFFFAOYSA-N 470.549 2.374 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](CN2CCCCCC2)C1 1705534766 RAQNEFWQAPFDEQ-FCHUYYIVSA-N 492.690 2.117 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccc(OC)cc2)n1CC1(NC(=O)OC(C)(C)C)COC1 1705586933 BRXRCFHLRUEVFJ-UHFFFAOYSA-N 481.553 2.232 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)NC(CC)CC)n1Cc1ccc(S(C)(=O)=O)cc1 1705589654 UTPOSNXBENUPRB-UHFFFAOYSA-N 455.584 2.111 30 10 JEEE C#CCN(CC#CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC1(C(N)=O)CCOCC1 1705598838 RLNVSKOVMJUMTE-UHFFFAOYSA-N 498.628 2.138 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CC[C@H](CO)O1 1705619248 LIIJZGAKCGPGCX-IMSXRSKXSA-N 458.534 2.249 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCNC(=O)[C@H](C)CCC)CC1 1705640290 MHDSOZWFHPQKRF-KNQAVFIVSA-N 466.586 2.098 30 10 JEEE C=CCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCO[C@H](CNC(C)=O)C1 1705888729 QDCMDZQIFJCBFF-OAHLLOKOSA-N 450.337 2.244 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1CC[C@@]2(CCSC2)C1 1705927852 HRYNEJXPJJGACY-HXUWFJFHSA-N 455.650 2.131 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCc2ccc(OC)cc2C1 1705935306 NBQDRNUOFHDCEP-UHFFFAOYSA-N 453.568 2.436 30 10 JEEE Cc1c(Cn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N2CCC[C@](C)(C#N)C2)cnn1C 1707021540 DETIUEQIPMPLES-HSZRJFAPSA-N 482.614 2.416 30 10 JEEE C[C@@H]1COCCN1CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)[C@H](C)CC#N 1708260576 CGMWACWKZNVRFJ-IAGOWNOFSA-N 459.982 2.321 30 10 JEEE CN(c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCC=CO1)C1CCN(S(C)(=O)=O)CC1 1711027956 GPQHCYIPIWNJAV-HXUWFJFHSA-N 456.572 2.370 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2CC(C)(C)C(=O)NCC)c1 1722309905 QYSCAVLRZBFBMG-IBGZPJMESA-N 466.586 2.391 30 10 JEEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1C[C@@H]1CCC[C@H]1OC)[C@H]1CCS(=O)(=O)C1 1722370792 QPAVOQVOGHRUPB-CNNODRBYSA-N 488.610 2.308 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(S(C)(=O)=O)CCC1 1722380941 CRYWGCSFNSZSPC-LJQANCHMSA-N 489.642 2.433 30 10 JEEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@H](COC)C1 1722455981 XDZOSJHMIATQAZ-GOSISDBHSA-N 477.656 2.425 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1722519310 BKTRKWMIIZYXRH-INIZCTEOSA-N 471.587 2.499 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC2CCCCC2)CC1 1722702492 LKWYOGCHAWKQDM-UNMCSNQZSA-N 460.623 2.007 30 10 JEEE C=CCOc1ccc(Cn2c(-c3ccccn3)nnc2N2CCCN(S(C)(=O)=O)CC2)cc1 1722706753 YCXGSSWEGXDWSA-UHFFFAOYSA-N 468.583 2.425 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CC(=O)N(C)C2CCCCC2)c1 1740561844 CYWQZSFAYLHYAB-NRFANRHFSA-N 491.596 2.077 30 10 JEEE C#CCN(C)c1nnc(Cc2c(F)cccc2F)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1740611710 PMAHKUUCPJUCLG-OXJNMPFZSA-N 463.554 2.421 30 10 JEEE C#CCN(c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@]1(O)CCO[C@H]1C)[C@H]1CCS(=O)(=O)C1 1740618162 DATZIEMPGXTMEY-CTIGNXTNSA-N 486.638 2.409 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CC(C)(C)CN(C)C)[C@H]1CCS(=O)(=O)C1 1740624167 DBNLKBYVXOJOHB-KRWDZBQOSA-N 479.597 2.362 30 10 JEEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1CCc1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 1740626735 YRTOBUFYPBAENZ-FQEVSTJZSA-N 497.646 2.447 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CN(CC(C)C)CCO1 1740644568 LUDJEQCFDUAVKH-BDTNDASRSA-N 484.645 2.478 30 10 JEEE C#CCN(CC#CC)c1nnc(COc2cc(C)ccc2C)n1CCN/C(O)=C1/N=CC=CC1=O 1740659598 XMVSXOIZQFJXJH-IZHYLOQSSA-N 472.549 2.463 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)Nc2ccccn2)n1C[C@]1(O)CCO[C@H]1C 1740675453 CMJYGRTYSBZLRF-BXKMTCNYSA-N 464.501 2.244 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC2CCC(OC)CC2)CC1 1740703649 ZXFVMVPJIXUAFC-BPOAOHNVSA-N 473.618 2.101 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CSc3ccc(C)cc3)n2CC(=O)NC(C)C)CC1 1740707779 PJYKGVPVHYVEPA-UHFFFAOYSA-N 468.627 2.369 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)CCS(C)(=O)=O 1740753101 FRMOGDVRNIJIPK-CJNGLKHVSA-N 472.409 2.498 30 10 JEEE C=C(C)COCCn1c(COc2ccccc2OC)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1740796654 FSDAGKDMRXIOFQ-GOSISDBHSA-N 456.547 2.014 30 10 JEEE C=CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCN1CCN(C(C)=O)CC1 1740899505 MTIVBRORQRGVNT-UHFFFAOYSA-N 475.638 2.179 30 10 JEEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1740944541 OUAVJYXMQZQVNO-LJQANCHMSA-N 456.572 2.253 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1740963453 LHZMXWNMPBSWPG-PBHICJAKSA-N 464.448 2.187 30 10 JEEE C=CCNC(=O)Cn1c(N(C)C[C@H]2CCCOC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740965020 KXFGQSFLYQZYKJ-KURKYZTESA-N 462.595 2.214 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)Cc1nccs1 1740988472 FSWZBFRNEQSODK-UHFFFAOYSA-N 461.569 2.410 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCOc1ccccc1Cl 1741924858 DXMAPAGSKWMEFK-ACJLOTCBSA-N 456.931 2.063 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1C[C@H](c1ccc(C)o1)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1748802206 NICBIMHOOLKQLB-WOJBJXKFSA-N 489.642 2.177 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCc1ccc(F)cc1Cl)[C@@H]1CCS(=O)(=O)C1 1748812638 YKYNFYXALSKUNS-GOSISDBHSA-N 476.965 2.341 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1CCC[C@H](O)C1)[C@H]1CCS(=O)(=O)C1 1748819082 KGOOMYIGRAQZIF-GIVPXCGWSA-N 460.575 2.186 30 10 JEEE COc1cccc(-c2nnc(N3CCN(c4nccnc4C#N)C[C@H]3C)n2CCCC(=O)N(C)C)c1 1748928433 CSGPPYICECDEMA-GOSISDBHSA-N 489.584 2.199 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C)Sc2ccccc2)CC1 1749009404 IKAAFDOLHALEOP-PXNSSMCTSA-N 466.611 2.376 30 10 JEEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CCN(C2CCCCC2)C(=O)C1 1749109190 FQRCPOLBTPBCCC-UHFFFAOYSA-N 465.396 2.290 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nnc(C)s1 1749531123 CPQIOWQRBYZBKH-SFHVURJKSA-N 469.596 2.453 30 10 JEEE C=CCN(CCOC)c1nnc(-c2cnccn2)n1C[C@@H]1C[C@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1749597886 PFENYKVFBQBZHJ-CMKODMSKSA-N 485.589 2.398 30 10 JEEE C=CCn1c(COc2ccccc2OCC)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1749642571 RDSUMVXCXJNYAP-QHCPKHFHSA-N 454.531 2.256 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1C[C@@H](OC)C(C)(C)C1 1749667306 XUSBAWVCEXZVKX-LJQANCHMSA-N 479.585 2.228 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1749723885 CBXMADBCKDMIKI-LJQANCHMSA-N 472.571 2.378 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 1749733763 BPSBESBHCPRXJH-ROUUACIJSA-N 465.645 2.328 30 10 JEEE CC(C)NC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1750990317 FBONUIVXBKBVSJ-UHFFFAOYSA-N 477.491 2.236 30 10 JEEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1CCCn1cc(CO)nn1 1760123109 YHORWTKFFYVFRK-HNNXBMFYSA-N 474.363 2.252 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2C[C@@H]2CCOC[C@H]2OC)c1 1760128168 AJUQOBWIPRJMMD-TUNNFDKTSA-N 467.570 2.280 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@@]1(C)CCCO1)[C@H]1CCS(=O)(=O)C1 1760180636 IPPKTZMZYODULJ-HNAYVOBHSA-N 482.404 2.232 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@](C)(O)c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1760190571 XOULKEIRWWFTFM-NZQKXSOJSA-N 469.542 2.014 30 10 JEEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1Cc1occc1C)[C@H]1CCS(=O)(=O)C1 1760192175 RQULYVDDRWSJMZ-SFHVURJKSA-N 470.551 2.442 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H]2C[C@H]2C)CC1 1760269648 NLIKLZYQMHFELY-RLLQIKCJSA-N 486.617 2.208 30 10 JEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCCN(C(=O)c2cccc(F)c2)CC1 1760284207 HZXZZFPDKMKVNC-UHFFFAOYSA-N 484.601 2.259 30 10 JEEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1760371339 WMOTUDMCXRRLNQ-UHFFFAOYSA-N 450.374 2.490 30 10 JEEE C=C(Cl)Cn1c(N2C[C@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)nnc1[C@@]1(OCC)CCOC1 1760386615 DAFJARCKNNHYSB-XTQVGHSUSA-N 481.041 2.062 30 10 JEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 1760432219 HLRCQOFVWJQXFF-DLBZAZTESA-N 454.641 2.233 30 10 JEEE C=CCN(CC=C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCOC[C@@H]1OC 1760493862 DCAHBOQNGZLNEO-XLIONFOSSA-N 450.543 2.422 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1cnnn1C 1760504208 XDBQAXRTNXLHNU-KRWDZBQOSA-N 460.583 2.208 30 10 JEEE C=CCOc1ccc(Cn2c(-c3noc4c3COCC4)nnc2N(C)[C@@H](C)CC(N)=O)cc1 1760529955 MSYLZEUAPQHILD-HNNXBMFYSA-N 452.515 2.319 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2ncccc2F)CC1 1760553158 NCUDJUPATKJITD-UHFFFAOYSA-N 491.980 2.455 30 10 JEEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H](C)[C@H](C)C1 1760557777 WCYHAONCXJJDNV-JKSUJKDBSA-N 451.618 2.353 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCO[C@](C)(C(C)(C)C)C2)nnc1[C@]1(OCC)CCOC1 1760558565 SICXCWGDUOIFKZ-VXKWHMMOSA-N 470.636 2.172 30 10 JEEE CCCN1CC[C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3ccccc3C#N)CC2)C1 1764403477 GXGORLFFDTVTCC-HXUWFJFHSA-N 464.618 2.346 30 10 JEEE CCN1CCN(C[C@H](C)Cn2c(Cc3ccccc3F)nnc2N2CCO[C@@H](C#N)C2)CC1 1765556632 DUHUJNUONXWUHM-FPOVZHCZSA-N 455.582 2.010 30 10 JEEE CCO[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCn2cc(Br)cn2)CCOC1 1767438315 FCZMSTANUCSPJG-QZTJIDSGSA-N 468.331 2.031 30 10 JEEE CN(C)S(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCN(c2ccccc2C#N)CC1 1768527989 ANYFEPVVTFVRLG-UHFFFAOYSA-N 457.604 2.025 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 1772567272 XCDAYPOHJINDHN-QGZVFWFLSA-N 462.595 2.310 30 10 JEEE C=CCNC(=O)C1=C(N)Oc2c(c(CC)nn2CC)[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1864896160 ZGHXCWIMPUATJA-KRWDZBQOSA-N 455.471 2.142 30 10 JEEE C=CCN(CC=C)c1nc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)n([C@H]2CCS(=O)(=O)C2)n1 1870004961 RLRPXZXMPDHODT-HKMNZKMDSA-N 472.527 2.376 30 10 JEEE C=CCn1cc(OCC(=O)NCCN(CC)CC)c(=O)cc1CN1CCN(c2ccccc2F)CC1 1870535460 VYDWBJGDOBBHNQ-UHFFFAOYSA-N 499.631 2.332 30 10 JEEE C=CCn1c(C(=O)N(CC)CC)cc2c(NCCc3ccc(S(N)(=O)=O)cc3)ncnc21 1875231223 FVQBSELERPETEJ-UHFFFAOYSA-N 456.572 2.401 30 10 JEEE CCN1CCN(CC#CCOC2CCN(C(=O)c3ccc(N4CCCC4=O)cc3)CC2)CC1 1889446897 GCLJGCHQXSUNCW-UHFFFAOYSA-N 452.599 2.076 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N1CC[C@@](NC(=O)OC(C)(C)C)(C(=O)O)C1 2059769852 HWTDJSNEBRYFJT-SZNDQCEHSA-N 454.524 2.154 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@]1(CO)C(=O)NCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2180992151 WWRQJIDKXMACBS-DEOSSOPVSA-N 460.380 2.364 30 10 JEEE CC(C)(C)OC(=O)NCCCONS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2255932432 BEOHQCDKKQPCRC-UHFFFAOYSA-N 476.426 2.313 30 10 JEEE C[C@H]1CC[C@@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)CN1C(=O)OC(C)(C)C 2256617145 HHXOXLOGPHGPIV-QWHCGFSZSA-N 452.386 2.233 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCN(c2nccc(B3OC(C)(C)C(C)(C)O3)c2F)C[C@@H]1CO 2266062272 OANIGVDSSUEXJC-GDBMZVCRSA-N 451.348 2.232 30 10 JEEE CC(C)(C)OC(=O)NC1CC(NS(=O)(=O)c2ccc(F)c(B3OC(C)(C)C(C)(C)O3)c2)C1 2267473998 NJAWIPYFGNKGTM-UHFFFAOYSA-N 470.372 2.459 30 10 JEEE Cc1cc(C(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)CCO2)oc1B1OC(C)(C)C(C)(C)O1 2267519152 GGEFAWRJUUWYGW-HNNXBMFYSA-N 450.341 2.253 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](CNC(=O)c2csc(B3OC(C)(C)C(C)(C)O3)c2)C[C@H]1O 2267562066 XTLCWRMFAFJREK-FVQBIDKESA-N 466.409 2.441 30 10 JEEE C[C@@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2269689730 DKXJPAPUTXQHPY-DYVFJYSZSA-N 452.332 2.015 30 10 JEEE Cc1nc(C(=O)N=c2nc(CCNC(=O)OC(C)(C)C)[nH]s2)c(B2OC(C)(C)C(C)(C)O2)s1 2282027356 OZNKWEPFXULIDM-UHFFFAOYSA-N 495.436 2.344 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](OCCNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2282171137 GLHHQEWMTZKSQE-KRWDZBQOSA-N 461.368 2.137 30 10 JEEE CCN(C(=O)OC(C)(C)C)[C@@H]1CCN(S(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282351277 YKHUWZUYLAEXGH-QGZVFWFLSA-N 481.424 2.401 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)O)N(C(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2282521225 WMHUOMRUZLEBOV-QWHCGFSZSA-N 481.380 2.025 30 10 JEEE CC(C)(C)OC(=O)N(CCO)C1CCN(C(=O)c2occc2B2OC(C)(C)C(C)(C)O2)CC1 2282524420 JHQFYLDVHHYOFT-UHFFFAOYSA-N 464.368 2.413 30 10 JEEE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1N(C)C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2282567968 VNNZCRMDRFWJOA-WBVHZDCISA-N 462.400 2.437 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2282589282 LRCWEZHHQAGTKP-GDBMZVCRSA-N 462.400 2.403 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1NC(=O)C1(CO)CN(C(=O)OC(C)(C)C)C1 2283962598 LBIITOPAECWQFF-UHFFFAOYSA-N 462.352 2.162 30 10 JEEE COC[C@@H](ONC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2283963027 HSSLCZFDYMERMQ-GOSISDBHSA-N 464.368 2.416 30 10 JEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)NCc1ccccc1B1OC(C)(C)C(C)(C)O1 2284060537 OONQMGCOLFYHPK-PKOBYXMFSA-N 460.380 2.484 30 10 JEEE Cn1cc(C(=O)N2CC(F)(F)C[C@@H]2CNC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2296414042 QBHNFBREUFVBHT-CYBMUJFWSA-N 470.326 2.094 30 10 JEEE COC(=O)c1ccc([C@@H]2C(=C(O)c3c(C)nn(C)c3C)C(=O)C(=O)N2CCCN(C)C)cc1 2296612009 VIJJKWGNACLIEU-HXUWFJFHSA-N 454.527 2.197 30 10 JEEE COc1c(Br)cc(C=NN(CC(=O)O)CC(=O)O)c(OC)c1Br 2318413796 UUXGEVPJHMAFQZ-UHFFFAOYSA-N 454.071 2.034 30 10 JEEE CO[C@H]1[C@H](CNC(=O)[C@H]2C[C@@H]2B2OC(C)(C)C(C)(C)O2)N(C(=O)OC(C)(C)C)C[C@H]1OC 2334261275 KBBOAHXUADLZTA-VIQHNZTISA-N 454.373 2.234 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]3C[C@H]32)n1C 2362483760 UDDZTEOYTDBYNS-XHSDSOJGSA-N 460.384 2.155 30 10 JEEE COc1nc(N2CC[C@@H](CO)[C@H](NC(=O)OC(C)(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2365346590 WEXLCXLQKCWGJD-DOTOQJQBSA-N 463.384 2.101 30 10 JEEE COc1ccc(OC)c(S(=O)(=O)Nc2cc(C(=O)O)ccc2N2CCN(CCC#N)CC2)c1 32961963 AMYYGPXZUAPYJT-UHFFFAOYSA-N 474.539 2.238 30 10 JEEE N#Cc1ccccc1CO[C@@]1(C(=O)NC2CC2)C[C@@H](O)[C@@H](O)[C@H](OCc2cccc(F)c2F)C1 37423563 IAJQEQOZJVZXLK-VLOWTAQSSA-N 472.488 2.471 30 10 JEEE O=C(CN1C(=O)c2ccccc2C1=O)N[C@H]1CCN[C@@H](C(=O)/C=C/c2ccc(Cl)cc2)C1 585824402 QMWOOSYOMJKBDR-FXJRYOPJSA-N 451.910 2.455 30 10 JEEE N#CC(c1nnc2n1CCCCC2)=c1sc(=Cc2cnn3ccccc23)c(=O)n1Cc1ccccc1 729668902 UWHWHHAZVIJZGI-UHFFFAOYSA-N 493.596 2.475 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)O[C@@H](C)C(=O)NCc3ccc(CN4CCOCC4)cc3)cc2C1=O 853262009 CBMMKOXOQWIEGD-SFHVURJKSA-N 491.544 2.163 30 10 JEEE C#C[C@H](NC(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2)c1ccc(Cl)cc1F 1140478385 POMQFIUOYKPCIW-KRWDZBQOSA-N 452.891 2.409 30 10 JEEE C#CCNS(=O)(=O)c1ccc(C(=O)NCCCc2cc3c(OC)cc(OC)cc3[nH]2)cc1 1150627227 QEKWUBRKUANAAO-UHFFFAOYSA-N 455.536 2.459 30 10 JEEE C#CCn1ccc(CN(CCOC)C(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)n1 1156618137 IMCZQNMVSPNXTH-UHFFFAOYSA-N 459.553 2.062 30 10 JEEE N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)CN1CC(=O)N(CC(F)(F)F)C1)CCCC2 1170013270 CORRXERIGFTXKH-CQSZACIVSA-N 453.465 2.020 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2Cc2nccc(C(F)F)n2)c1 1286310770 YYRSXJTUYGSWOW-QGZVFWFLSA-N 480.479 2.061 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCCN(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1286380260 BLWSRCGMFREFPE-FQEVSTJZSA-N 459.616 2.311 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1CC1(C)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1286389245 ZUDYPVCCQKPGBU-LJQANCHMSA-N 488.610 2.406 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cnccn2)n1CC1(C(N)=O)CCOCC1 1286740521 PARIZRPHUNUNOC-UHFFFAOYSA-N 463.542 2.218 30 10 JEEE C=CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@]1(O)CCS(=O)(=O)C1 1286766070 MHFALTDKEPTPRJ-AOMKIAJQSA-N 480.656 2.320 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCO[C@@H](COC(C)C)C1 1286787623 XMMLLFIVSVMHGR-OAQYLSRUSA-N 465.558 2.063 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC(Oc2cc(C)ccn2)CC1 1286819070 YRKWKJLJTCTOCB-UHFFFAOYSA-N 471.587 2.031 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CC[C@H](Oc2ccccn2)C1 1286819339 HFGCVYAJBCQILM-SFHVURJKSA-N 454.556 2.302 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H](C)N(C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1300488042 OGZIWDGAFLVREW-IRLDBZIGSA-N 478.622 2.487 30 10 JEEE C#CCN(c1nnc(CCCc2ccccc2)n1Cc1cccn(CC)c1=O)[C@@H]1CCS(=O)(=O)C1 1300500500 ABUSJOSRFJNYBB-HSZRJFAPSA-N 493.633 2.310 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(N2CCOCC2)c(F)c1 1300665434 JIIRGYJQDPHWKD-HXUWFJFHSA-N 457.550 2.282 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@](C)(O)c2ccccc2)CC1 1300710414 ACIODOZBIJHWJJ-AREMUKBSSA-N 480.613 2.070 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)N1CCOCC1 1300805880 KBKCNNWXUAQOKN-OHUGHZGNSA-N 488.633 2.299 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(OC)cc2)nnc1N1CCS(=O)(=O)CC1 1300896925 LZCUVMSEQABMBS-UTKZUKDTSA-N 462.572 2.082 30 10 JEEE C=C(Cn1c(N2CCCN(S(C)(=O)=O)CC2)nnc1[C@]1(OCC)CCOC1)c1ccccc1 1301009880 DBDATAQHVOMXSP-QHCPKHFHSA-N 475.615 2.115 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(CCOC2)C1 1301530318 RWOPFHIFTBAZPW-VGSWGCGISA-N 461.588 2.118 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCCC[C@@H](COC)C1 1301576106 SHEQZANAOHZKCG-GOSISDBHSA-N 496.655 2.202 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3ccccc3n2)nnc1N1CCN(CC(F)F)CC1 1301577420 OFKRQCXLNYIZHY-UHFFFAOYSA-N 476.553 2.481 30 10 JEEE N#Cc1ccc(OCc2nnc(N3CC[C@@H](N4CCCCC4)C3)n2CC(=O)NCC(F)(F)F)cc1 1302993741 GGDZVXIFXMUSNJ-GOSISDBHSA-N 491.518 2.472 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccc(OC(F)F)c(F)c1 1303835635 CUGWEESKFWGTGF-VOJFVSQTSA-N 476.456 2.119 30 10 JEEE Cc1cc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)n(C)n1 1304728001 FXVKUEAUNXBEPR-IBGZPJMESA-N 482.614 2.015 30 10 JEEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](N2CCOCC2)C(F)(F)F)CCO1 1305142253 HZIBCLDBWFQJHR-CRAIPNDOSA-N 450.465 2.305 30 10 JEEE CCN(CC)CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C2CC2)N(C)C)CC1 1313699088 GZISPTPFMMGBGN-HSZRJFAPSA-N 478.645 2.147 30 10 JEEE COCC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)CN2CCCCC2)CC1 1315751513 DOCJJTPOYKTIBA-OAQYLSRUSA-N 495.628 2.146 30 10 JEEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1C[C@H]1CCC=CO1)[C@H]1CCS(=O)(=O)C1 1358967216 GEHFLLAWLRZWKG-GHTZIAJQSA-N 472.567 2.185 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@]1(C)COCCO1 1358998578 KDLLMMJXVRWNCO-YDIMBITNSA-N 457.575 2.317 30 10 JEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)c2c(F)cccc2F)CC1 1359048012 BQRABQJZXQMHIB-UHFFFAOYSA-N 476.553 2.023 30 10 JEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N(CC)C[C@H]1COc2ccccc2O1 1359060552 ZJIFTCPUQMQVGW-SFHVURJKSA-N 455.584 2.433 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)cc2)n1CCN1CCN(C(C)=O)CC1 1359074049 OQGPDQPHIIJSSQ-RUZDIDTESA-N 450.587 2.322 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1359296419 ITAMKWKXRIDMIR-UHFFFAOYSA-N 484.557 2.076 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CC[C@H](C)N(Cc2ccccc2)CC1 1359327371 ZGQXROGNZGVLJG-FQEVSTJZSA-N 488.658 2.118 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(CC#N)CC1 1359330848 FHSPGQQNDYJLHR-UHFFFAOYSA-N 467.555 2.325 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCN(Cc2cc(C)on2)CC1 1359335002 XAXUGZKJZSRFEF-UHFFFAOYSA-N 476.628 2.150 30 10 JEEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N[C@@H](CO)CN(C)C)c1 1449061597 LHHLUGNFPWJBLH-GOSISDBHSA-N 451.976 2.374 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2C[C@H](OC(C)(C)C)[C@@H]2n2cccn2)s1 1449726691 NVHFUWIUCXAICW-JTDSTZFVSA-N 452.602 2.265 30 10 JEEE CNC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)N(C)C2CC2)C1 1503760941 IBXUWSLTLIRMSJ-PKOBYXMFSA-N 451.575 2.174 30 10 JEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2cnc(C)s2)CC1 1507563827 JCGRHAWUMBDGRS-SFHVURJKSA-N 462.645 2.071 30 10 JEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1nc([C@@H](C)SCC)no1 1507590228 CNMNKKCSEUQCGK-CABCVRRESA-N 452.606 2.427 30 10 JEEE C#CCN(C)c1nnc(-c2ccc(OC)c(OC)c2)n1CC1(NC(=O)OC(C)(C)C)COC1 1507610023 HASFGSXWMRFLJE-UHFFFAOYSA-N 457.531 2.325 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CCSC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1507622043 FIHGNTMBEROTHZ-CQSZACIVSA-N 481.566 2.076 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1CCN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1507628199 HCPYEADTLOZLDX-IBGZPJMESA-N 457.600 2.066 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@@H]1CCCCN1CC)[C@H]1CCS(=O)(=O)C1 1507629729 WHNSBVUWVHLITI-SFTDATJTSA-N 471.627 2.455 30 10 JEEE C#CCN(c1nnc(COCC)n1C[C@@](C)(O)c1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 1507636823 DRNAXZXNUNDGHH-HRAATJIYSA-N 466.991 2.002 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1CCC2(C1)OCCO2 1507637472 QBCWTSSQTYQARQ-LJQANCHMSA-N 467.957 2.478 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@H]1CCS(=O)(=O)C1 1507686787 GDXUHGNLSFEVMY-KRWDZBQOSA-N 468.583 2.130 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(Br)cc2)n1CCS(=O)(=O)CC 1507707058 REWCMIVMLRIKHN-UHFFFAOYSA-N 455.378 2.228 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1Cc1cc(F)ccc1N1CCOCC1 1507710472 GZAGMVYJSLZXLF-IBGZPJMESA-N 457.550 2.282 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCc2nccnc2C)CC1 1507733835 BZXMXRUOXFHQPB-UHFFFAOYSA-N 489.580 2.269 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc4cccnc34)n2C[C@@H](F)COC)CC1 1507734903 CKBDHQLQRXNYTG-LJQANCHMSA-N 450.518 2.444 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2cc3c(cc2OC)C[C@H](C)O3)CC1 1507741416 SBKWWBQEQFFHBM-KRWDZBQOSA-N 467.570 2.161 30 10 JEEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(NC(C)C)CC1 1507747592 FHGKINUGFPVPJN-UHFFFAOYSA-N 451.604 2.254 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](COCC)C1 1507808091 SVSHXOUDCJQCAE-MANSERQUSA-N 455.625 2.122 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCN(CC(F)F)CC2)nnc1[C@]1(OCC)CCOC1 1507811418 QUIOUWAXPMKLNL-LZNRXBQRSA-N 455.550 2.299 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2cccc(Cl)c2)C1 1507830632 NJYKBOALEBIOKG-RTBURBONSA-N 482.006 2.418 30 10 JEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H](C)c1ccc(OC)cc1 1507981867 LAVHXOAJXHXPOC-FXAWDEMLSA-N 463.604 2.436 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(C)CN(C)C1=O 1508018626 HETXGDUNMGALOX-HXOBKFHXSA-N 460.579 2.243 30 10 JEEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCN(c2nc(C)cs2)CC1 1508095778 UIJIJCAXIOZWDE-UHFFFAOYSA-N 451.600 2.457 30 10 JEEE C#CCN(C(=O)C1CCN(S(C)(=O)=O)CC1)[C@@H]1CCOc2ccc(Br)cc21 1529627639 SRIOIGZABOLCSP-QGZVFWFLSA-N 455.374 2.406 30 10 JEEE CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NC(C)(C)c3cccc(C#N)c3)c2)CC1 1538837829 JFIZIKLGYWFJQF-UHFFFAOYSA-N 454.552 2.076 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1Cc1cccc(S(=O)(=O)NC)c1 1538974586 WRTRNQXFWWQGLO-AWEZNQCLSA-N 491.415 2.460 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCNC(=O)c1ccc(C)c(F)c1 1539005349 YXYVWYWWEMSWLF-OAHLLOKOSA-N 452.490 2.341 30 10 JEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(n2ccc(C(F)(F)F)n2)CC1 1539094756 UZHZMLMLGSUPBA-AWEZNQCLSA-N 473.525 2.359 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1CC(C)(C)CN(C)C)[C@H]1CCS(=O)(=O)C1 1539221079 YHZTWDFJJBQBBR-NRFANRHFSA-N 457.644 2.392 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H]1CC[C@@](C)(CC)O1)[C@@H]1CCS(=O)(=O)C1 1539224886 JPQBYCUCDHCHND-ZRCGQRJVSA-N 457.600 2.238 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1cccc(CN(C)C)c1)[C@@H]1CCS(=O)(=O)C1 1539225603 PJSMIBYBICPNPK-HSZRJFAPSA-N 478.622 2.001 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN(C)[C@H]1c1cccs1 1539267290 YHZWOCJOWLRTLH-SFHLNBCPSA-N 471.652 2.398 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccc(N(C)C)cc2C)CC1 1539469979 WJATZIGFJDWRPY-MHZLTWQESA-N 494.640 2.319 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1540899227 HPFVVXKBSUXGOD-UHFFFAOYSA-N 461.588 2.429 30 10 JEEE CC(C)(C)C(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCOCC2)CC1 1541131506 HHDVNTLBGDTODV-UHFFFAOYSA-N 452.559 2.053 30 10 JEEE CCN(c1nnc(COc2ccc(C#N)cc2)n1CCc1nccs1)[C@@H]1CCS(=O)(=O)C1 1547384398 ACNCJKAAEWIVAF-QGZVFWFLSA-N 472.596 2.441 30 10 JEEE COCCNC(=O)[C@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CCN1C(=O)NC1CCCC1 1548372403 BMQULXJTGXMRJI-LJQANCHMSA-N 467.492 2.482 30 10 JEEE CNC(=O)[C@@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(NC(C)=O)nc2)C1 1554398689 AVDPJUHCEGFAHF-DEOSSOPVSA-N 458.526 2.181 30 10 JEEE C#CCN(C(=O)NCc1cccc(C(=O)NCc2ccc(C)cc2)c1)[C@H]1CCS(=O)(=O)C1 1563498803 APTMJFKAZCQUBA-QFIPXVFZSA-N 453.564 2.257 30 10 JEEE C=C[C@@H]1OCC[C@H]1CNC(=O)N(CC)[C@H](C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1564958066 FFXUGGPTZZWTOB-QYZOEREBSA-N 452.596 2.467 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(Sc2ccccc2)CC1 1587638332 CYMFDNGHWYXTQD-MJGOQNOKSA-N 475.640 2.394 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CCC(=O)N2CCCCC2)c1 1587689194 CXCGUJQRWBKFCK-UHFFFAOYSA-N 474.569 2.137 30 10 JEEE C#CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1587766487 VSNZPVHEXZNFIF-YADHBBJMSA-N 450.587 2.324 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@H](C(C)C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1588059470 ORNNPMNLYBRTHS-BJKOFHAPSA-N 499.681 2.161 30 10 JEEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCN1CCC[C@H]1C 1588158418 ALPSZTAEJWWAOH-XMMPIXPASA-N 459.642 2.200 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2cccnc2)n1C[C@H]1CCCN1S(C)(=O)=O 1588550759 XGVMPKFKNAZCOY-JOCHJYFZSA-N 482.585 2.467 30 10 JEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CC(=O)Nc1c(C)cccc1C 1588628244 GEYWVFHONDEVMU-UHFFFAOYSA-N 464.526 2.347 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC2(C)CCC2)CC1 1588762847 NOCCWIZNVIHLJD-UHFFFAOYSA-N 456.616 2.141 30 10 JEEE C=C(Cl)Cn1c(C(=O)NC(CC)CC)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1593799681 ALQGVQKWGJDTAK-UHFFFAOYSA-N 466.030 2.084 30 10 JEEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1594692766 FSVCXTFJBLSHIG-NRFANRHFSA-N 488.658 2.463 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1595523079 PAHUHKMCPZXRKS-FYSMJZIKSA-N 468.558 2.359 30 10 JEEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@H](CNC(=O)CCC)C1 1595537426 QUYGZQBAURZEGK-QGZVFWFLSA-N 492.584 2.029 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CC(=O)NC)CC1 1595659110 SJKTVRDLQUPZEL-IBGZPJMESA-N 452.559 2.195 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C3CCCC3)n2CCS(=O)(=O)N2CCSCC2)C1 1595723109 RIQBBXXLPOWSLC-SFHVURJKSA-N 455.650 2.096 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](Cc2ccccc2)C1 1595752601 BHBNLBZTHYQXKR-FQEVSTJZSA-N 457.600 2.184 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](c2nc(C)c(C)s2)C1 1595759934 HQAOUYLHCUVKHY-QGZVFWFLSA-N 480.660 2.474 30 10 JEEE CC(=O)N1CCC[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@](F)(C#N)C2)C1 1596083676 AECAUDIOULZOPQ-CVDCTZTESA-N 451.506 2.429 30 10 JEEE CCC[C@H](Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@](F)(C#N)C1)OC 1614396674 ICCJCZVZNAEIGN-DYESRHJHSA-N 464.567 2.452 30 10 JEEE C#C[C@@H](NC(=O)c1ccc(CNS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1)[C@@H]1CCCO1 1625619906 QVSPBPGTWDTZJJ-YADHBBJMSA-N 455.536 2.034 30 10 JEEE C=CCN(CCc1ccco1)C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 1632826443 CVEBFMPMWCMMET-UHFFFAOYSA-N 459.568 2.150 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Cl)n1CC[C@@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1689986250 LSYJEAUDGWDDDF-DLBZAZTESA-N 464.975 2.031 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1Cc1ccc(OC)nc1)[C@@H]1CCS(=O)(=O)C1 1689992333 JKKLFICLKJQGQV-OAQYLSRUSA-N 465.579 2.256 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CC1(COC)CCCCC1)[C@H]1CCS(=O)(=O)C1 1689994047 PUVVJJDBQNWHMA-NRFANRHFSA-N 471.627 2.488 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCCCN2C[C@@H](C)C[C@H](C)C2)CC1 1690109041 DNTQOTNANWXEHN-VXKWHMMOSA-N 455.651 2.027 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@H]2CCS(=O)(=O)C2)CC1 1690117626 PKCQOIOXPXPAHW-OAHLLOKOSA-N 496.406 2.037 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCCc2nc(C)no2)CC1 1690117876 YUUXGCINIQDQJO-UHFFFAOYSA-N 451.531 2.042 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN1CCSCC1 1690196194 AYWYTRSIQIUZCM-JOCHJYFZSA-N 459.641 2.390 30 10 JEEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1690287932 AKKFSCGHKPUCLI-SFHVURJKSA-N 498.650 2.023 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)C(=O)NC 1690560099 PEYIRESHNZRSAA-IBGZPJMESA-N 470.599 2.017 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)[C@H](C)CS(C)(=O)=O 1690663873 HFEAUOCJLBUICL-GFCCVEGCSA-N 460.387 2.423 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCC(C(=O)N2CCCC2)CC1 1690672921 HZSVMVOXDIURLT-UHFFFAOYSA-N 466.586 2.019 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2Cc2nnc(C)s2)C1 1690688706 ZLOMCOAEUCEVIZ-QGZVFWFLSA-N 489.627 2.185 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1690719171 HLFZWIFZFKVOPS-KRWDZBQOSA-N 478.962 2.469 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN([C@@H](C)c2nccs2)CC1 1690722303 DRSTXHGCHSFENG-INIZCTEOSA-N 461.617 2.214 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](N2CCCCC2)C1 1690729857 UGCBHYFPEIRDMY-OAQYLSRUSA-N 484.626 2.394 30 10 JEEE Cc1cnn(CC2CCN(c3nnc(COc4ccc(C#N)cc4)n3CC(=O)N(C)C)CC2)c1 1693298204 AZDPHUJAJZIPKZ-UHFFFAOYSA-N 462.558 2.239 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(N2CCN(CC)CC2)nc1 1705503783 DTTSVGMRLLAMJJ-RRPUWOKSSA-N 467.618 2.045 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc(Cl)nc3)n2CCC(=O)NC)c1 1705504924 GGXZYAYVJSXJLY-UHFFFAOYSA-N 451.918 2.186 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1705570229 LTMNSCOKSQRTNY-VQTJNVASSA-N 458.584 2.073 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1705575626 RAYJTUNMSBGENJ-XXBNENTESA-N 497.621 2.239 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1CCOc1ccc(S(C)(=O)=O)cc1 1705584489 MGQIOHPUEYFICV-UHFFFAOYSA-N 488.573 2.072 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCn1ccnc1C 1705595046 CTADVQNCQISLEE-UHFFFAOYSA-N 464.599 2.296 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC2(N(C)C)CCC2)CC1 1705643744 QTGOXNIJCYLENE-BGYRXZFFSA-N 471.650 2.288 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2Cc2cccnc2OC)CC1 1705645789 FFZYOORPJFZWTG-UHFFFAOYSA-N 460.538 2.371 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1705651888 KGVKXNMGIYROBJ-SFHVURJKSA-N 465.587 2.342 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc3c(c2)CCCO3)C1 1705917500 WYUPJWNPVTZMAX-LPHOPBHVSA-N 461.588 2.043 30 10 JEEE CC(C)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCC(O)CC2)CC1 1706575914 CMCLRZIOXUHEOP-UHFFFAOYSA-N 467.618 2.106 30 10 JEEE C[C@H](Oc1ccccc1F)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC(=O)N(C)C 1706928322 BEJNQHKDGVPGCJ-SJORKVTESA-N 493.547 2.022 30 10 JEEE COc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCS(=O)(=O)CC2CC2)cc1OC 1711756262 CCHQUXYRNPYFER-OAQYLSRUSA-N 463.535 2.229 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@@H]1CCC[C@H]1OC)[C@@H]1CCS(=O)(=O)C1 1722363492 ULOUPURAWSMKMW-NLWGTHIKSA-N 458.584 2.396 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCO[C@@H]1C(=C)C)[C@@H]1CCS(=O)(=O)C1 1722365389 DQDMAZHIUINVHB-QKNQBKEWSA-N 455.584 2.256 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CCc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1722366933 TZZBUEGSNAFJOG-OAQYLSRUSA-N 453.543 2.272 30 10 JEEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@H](CC=C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1722371773 LKTPYNBTEBFQPO-VXKWHMMOSA-N 481.622 2.387 30 10 JEEE C#CCN(c1nnc(CC2CCCC2)n1Cc1ccc(C(=O)NCC)cc1)[C@H]1CCS(=O)(=O)C1 1722372475 XLBZFUPQUZLLKB-QFIPXVFZSA-N 483.638 2.436 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCS1 1722423192 XUCPOOIPENMLMC-PMACEKPBSA-N 493.630 2.286 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C)Cc2ccc(OC)cc2)CC1 1722448457 UYHCGIQOGGRYKO-GCJKJVERSA-N 478.597 2.082 30 10 JEEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1722460665 JOKDPSHKUASKCV-UHFFFAOYSA-N 453.616 2.357 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2csc(N3CCOCC3)n2)n1CCN(C)CCCOC 1722471009 YSVWTISUBWXPKD-HSZRJFAPSA-N 473.647 2.199 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H]1COc2ccccc2O1 1722481720 AAGYWCDSKCNJBL-HUUCEWRRSA-N 483.388 2.365 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ccccc1C 1722518153 VIWGLHVWXLVQJJ-HXUWFJFHSA-N 463.604 2.401 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@H](C)O[C@H](C2CC2)C1 1722691218 PAQBNSQTRZBKIE-KXBFYZLASA-N 472.977 2.167 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 1722700271 CXFXQFXRGZIRRJ-SFHVURJKSA-N 494.600 2.312 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1722702646 OGJFMSOJXBWKDQ-SVFBPWRDSA-N 471.606 2.293 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2nc(C(F)(F)F)cs2)C1 1722710794 OLBAWKPAWXPKBG-VXGBXAGGSA-N 480.538 2.193 30 10 JEEE CC(=O)N1CCC(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@H](CC(N)=O)C2)CC1 1722762230 GCXGGGJDYNDAQU-OAQYLSRUSA-N 479.585 2.079 30 10 JEEE CN(C)CCOc1cccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@](C)(C#N)C2)c1 1729337834 FHDQOULJDHLTBW-HYBUGGRVSA-N 486.642 2.299 30 10 JEEE C#CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(N(C)C(C)=O)CC1 1740570391 DQMGQNCRMFXLNQ-UHFFFAOYSA-N 471.631 2.489 30 10 JEEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCC1(C)CC1)[C@@H]1CCS(=O)(=O)C1 1740618436 HNMHQUCQWVTBRK-GOSISDBHSA-N 476.624 2.166 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccc(OC(F)(F)F)cc1)[C@H]1CCS(=O)(=O)C1 1740621304 LHMMOXNRBWITCJ-KRWDZBQOSA-N 494.499 2.252 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCNC(=O)OC(C)(C)C 1740681557 PLBVCILLAJRZFT-UHFFFAOYSA-N 457.531 2.327 30 10 JEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@H](CC)NC(=O)OC(C)(C)C 1740684431 RCTNDXGZSBMDED-INIZCTEOSA-N 474.562 2.395 30 10 JEEE C#CCN(CCOC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H](C)N1CCOCC1 1740687062 ZSKKOODSJBWLFY-HXUWFJFHSA-N 490.649 2.199 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC(C)(C)CN(C)C)CC1 1740690200 PKCYSWCTJNSEBO-UHFFFAOYSA-N 451.619 2.490 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCCn2cnnn2)CC1 1740701954 GDPWOHBUNNYWEJ-FQEVSTJZSA-N 491.600 2.078 30 10 JEEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1740720517 BKLGSOLFCXNBGU-LJQANCHMSA-N 451.643 2.015 30 10 JEEE C=C(Br)Cn1c(-c2ccc(OC)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1740740304 QJGWVPQXYVMPKG-GDBMZVCRSA-N 451.321 2.223 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(CC(=O)NCC)CC1 1740761335 VVINIJRXKRNMEV-YKSBVNFPSA-N 470.593 2.247 30 10 JEEE C=CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CC(F)(F)CO1 1740940628 NINHMCGEQKCAKT-HNNXBMFYSA-N 470.546 2.301 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC(S(C)(=O)=O)CC1 1740954546 OJHGBSKPWLMXPB-OAHLLOKOSA-N 477.656 2.447 30 10 JEEE C=CCNC(=O)Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1740962890 RMPTZWUXDXHZBB-HKUYNNGSSA-N 487.004 2.269 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 1740989719 VWSXENOBCHDOBL-HXUWFJFHSA-N 495.609 2.499 30 10 JEEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](c2nnc(C(C)C)o2)C1 1745883234 BZLKLJHXKTUNGA-GOSISDBHSA-N 464.530 2.379 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2C[C@](C)(O)c2cccs2)c1 1748694917 UHJHTQMXTYBMIE-VWLOTQADSA-N 492.605 2.426 30 10 JEEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(CC(=O)N(C)C)CC1 1748745597 UEKDTRRBFBUJGP-UHFFFAOYSA-N 471.631 2.346 30 10 JEEE C#CCN(c1nnc(-c2cc(F)ccc2Br)n1C[C@@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1748810011 YXSYIFRKBWSBLD-GDBMZVCRSA-N 498.422 2.424 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@](C)(OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1748810694 ZTHYIJRWNLTOST-KOSHJBKYSA-N 488.610 2.404 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(OC)ccc2Br)n1C[C@]1(O)CCOC1 1748882331 OQDUJOSKOXMYQH-OAQYLSRUSA-N 459.344 2.331 30 10 JEEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ncnn1C(C)(C)C 1748889592 ABKZFCDHTIVWPH-UHFFFAOYSA-N 472.601 2.310 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(C(=O)N3CCCC3)n2C[C@H]2N(C)CCCC2(C)C)n1 1748970723 PCEJJWXVTLPQJQ-JOCHJYFZSA-N 496.660 2.117 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H](C)Oc2ccccc2)CC1 1749003189 AQWKYNBJLWEMGM-RXFWQSSRSA-N 481.597 2.364 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(OC)cc3)n2CC2([S@](C)=O)CCC2)CC1 1749018624 BFKQEJNHCBZFEU-DHUJRADRSA-N 499.637 2.133 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](c1ccco1)N1CCCC1 1749054209 PQRPXMBSJAWKEL-NJNPRVFISA-N 460.604 2.311 30 10 JEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 1749235572 URSVWVHQBJCSQM-UHFFFAOYSA-N 470.574 2.293 30 10 JEEE C=C(Cn1c([C@@H]2CCCCO2)nnc1N1CCN(CC(=O)NCCOC)CC1)c1ccccc1 1749244570 QJBMKIHJWAHLOY-QFIPXVFZSA-N 468.602 2.118 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1nc(C)c(C)s1)C1CC1 1749519680 PNQPWFYLHACCPU-KRWDZBQOSA-N 466.633 2.082 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@H](CCOC)C1 1749734429 IXRXYRLHAYLJKZ-YLJYHZDGSA-N 462.572 2.254 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1749736553 KUQVLIHSBGSREY-UHFFFAOYSA-N 497.581 2.100 30 10 JEEE C#CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1760144307 LADITXRJLCCWDH-HXUWFJFHSA-N 477.569 2.327 30 10 JEEE C#CCN(c1nnc([C@@H](C)CC)n1CCCS(=O)(=O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1760181954 FQLNRTNWIXZMME-RBUKOAKNSA-N 478.640 2.282 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@]1(C)CCCO1)[C@@H]1CCS(=O)(=O)C1 1760182812 MLPRTVYXJJVWTJ-YKSBVNFPSA-N 485.610 2.343 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1CCc1ccccc1OC)[C@@H]1CCS(=O)(=O)C1 1760184705 KVMNXZLJCRSMGB-LJQANCHMSA-N 451.552 2.218 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CCC(=O)N2CCCCC2)CC1 1760266748 LHPKXJVRFIRENV-UHFFFAOYSA-N 452.559 2.215 30 10 JEEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@]2(CCOC2)C1 1760275735 GZVPVBKSFTYLHK-JOCHJYFZSA-N 475.640 2.179 30 10 JEEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1760287535 WGVFQBXPCLGEAN-RCCFBDPRSA-N 469.677 2.033 30 10 JEEE C=CCCCn1c(Cc2ccncc2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1760441555 MQOJWRCDPZQNIZ-HSZRJFAPSA-N 453.635 2.461 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1760520246 HJXLKXRAWGXPCP-OAHLLOKOSA-N 470.965 2.475 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1760550581 BWXZAFMMGHLKPJ-QRTHJKPMSA-N 476.599 2.160 30 10 JEEE Cc1csc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](c3cccc(C#N)c3)C2)n1 1762232932 CKPKJXNRAJHMSE-QAPCUYQASA-N 487.611 2.151 30 10 JEEE CCN(CC)C(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)OC)CC1 1764902594 DFDQEPABAOOLDL-GOSISDBHSA-N 455.563 2.347 30 10 JEEE N#CC(c1nnc2n1CCCCC2)=c1sc(=Cc2ccc(O)cc2)c(=O)n1-c1ccccc1 1848354962 BXVCKXBYRZTIAW-UHFFFAOYSA-N 455.543 2.474 30 10 JEEE O=C(C1=C(O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccc(O)cc1)c1cccc([N+](=O)[O-])c1 1862735223 GDCOLBSFCQYRSQ-HXUWFJFHSA-N 453.451 2.211 30 10 JEEE O=C(C1=C(O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccccc1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 1862741016 ZQTGBLGKDTUYGX-HXUWFJFHSA-N 482.449 2.414 30 10 JEEE C=CCN(CC=C)C(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1ccc(OCCCC)cc1 1865730224 YSWYRMGKOIWAOY-IBGZPJMESA-N 480.565 2.158 30 10 JEEE N#CCCN(CCC#N)C(=O)[C@H](OC(=O)c1ccccc1)[C@@H](OC(=O)c1ccccc1)C(=O)O 1866326643 CBVBMBGQLFLEKM-WOJBJXKFSA-N 463.446 2.178 30 10 JEEE CC(C)[C@H](C(=O)Nc1c(C#N)nnn1-c1cccc(N(C)C)c1)N1C(=O)c2ccccc2C1=O 1870143477 NYYMNXOSTMAKOH-HXUWFJFHSA-N 457.494 2.464 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)OCCC)cn1Cc1ccc(S(N)(=O)=O)cc1 1870330803 QEJIYVHLGOUKMQ-UHFFFAOYSA-N 489.594 2.050 30 10 JEEE C=CCNC(=O)C1CCN(C(=O)[C@H]2CC(=O)N(C3CCN(Cc4ccccc4)CC3)C2)CC1 1872953905 ODQPSYKCGCMZCM-QFIPXVFZSA-N 452.599 2.040 30 10 JEEE C[C@@H](C(=O)O)N1C(=O)c2ccc(C(=O)NC3CCN(Cc4ccc(C#N)cc4)CC3)cc2C1=O 1873724690 UYGJTIZAFOXEQU-HNNXBMFYSA-N 460.490 2.022 30 10 JEEE CC1(C)OB(c2ccccc2CNS(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)OC1(C)C 2089785080 SHHVYVCTYHMPSE-UHFFFAOYSA-N 498.410 2.482 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)CCCO2)C1 2255186093 PAZTVHNDBVXCDV-BNGSBABLSA-N 451.564 2.435 30 10 JEEE CC(C)(C)OC(=O)NCC[S@@](C)(=O)=NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2255752559 KELXNKLVRCZYQY-SSEXGKCCSA-N 494.466 2.359 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H]1C(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)cs1 2256623543 RGUZEQKWOGAXGP-GOEBONIOSA-N 452.382 2.034 30 10 JEEE Cc1nc(C(=O)N(C)C[C@@H](O)CN(C)C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2267167348 FDZZHZIBRHFVQY-CQSZACIVSA-N 469.413 2.051 30 10 JEEE Cn1nc(C(=O)NC[C@@H]2C[C@H]2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2267171480 KSODOFLHOCPYNA-STQMWFEESA-N 468.791 2.263 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H](C)C[C@@H](NC(=O)C(F)(F)F)C1 2267527601 JSKHQYLPHFJNOS-ZYHUDNBSSA-N 461.315 2.280 30 10 JEEE CC(C)(C)OC(=O)NCCc1nnc(NC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)o1 2267547748 BBTFHLCEWMNHNT-UHFFFAOYSA-N 465.341 2.145 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H](C(=O)NCc2sccc2B2OC(C)(C)C(C)(C)O2)C1 2268629093 QUXBTAQTQAXHMW-CABCVRRESA-N 466.409 2.281 30 10 JEEE Cc1csc(CNC(=O)C2(O)CC(NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2268784893 GSWIVAZXOBMBMK-UHFFFAOYSA-N 466.409 2.390 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](O)CN1C(=O)c1cccc(F)c1B1OC(C)(C)C(C)(C)O1 2281782529 XSGHJQAWBRUROK-LSDHHAIUSA-N 464.343 2.225 30 10 JEEE CC(C)(C)OC(=O)NC[C@]12CCC[C@@H]1CN(C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C2 2281930659 OBUWCRVKHCLHJK-CMJOXMDJSA-N 460.384 2.476 30 10 JEEE Cc1cnc(C(=O)N(CCO)CCCNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2281957559 NNBFRTMCDRCQFK-UHFFFAOYSA-N 463.384 2.039 30 10 JEEE Cn1nc(C(=O)NCCCCC2CN(C(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2281973666 BJYYPQJVIWHRCX-UHFFFAOYSA-N 462.400 2.486 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C 2282001204 YATHHDTXEWUQKD-HZPDHXFCSA-N 462.400 2.451 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2[C@H](NS(=O)(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)c(F)c3)[C@H]2C1 2282323626 DUUUBBYXHHCDOR-HWWDLCQESA-N 482.383 2.269 30 10 JEEE C[C@H]1CC[C@@H](NC(=O)C(F)(F)F)CN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2282343831 RWQGHHVZNVWGAC-DZGCQCFKSA-N 476.326 2.206 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H](NC(=O)OC(C)(C)C)CC(C)(C)C1 2282534357 FHQQUEURLUVWSI-HNNXBMFYSA-N 462.400 2.485 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCCO[C@H]2[C@H]1NC(=O)c1occc1B1OC(C)(C)C(C)(C)O1 2282541469 YNUVWAXRHWJGMJ-PQEBFOHHSA-N 462.352 2.379 30 10 JEEE Cn1cc(C(=O)N2C[C@H](NC(=O)OC(C)(C)C)CC(C)(C)C2)nc1B1OC(C)(C)C(C)(C)O1 2282551644 LEUZSUJONABBHM-OAHLLOKOSA-N 462.400 2.485 30 10 JEEE Cn1cc(C(=O)N[C@]23CCCN(C(=O)OC(C)(C)C)C[C@H]2C3)nc1B1OC(C)(C)C(C)(C)O1 2282553567 YTTIQILNYTYSDW-CMJOXMDJSA-N 460.384 2.239 30 10 JEEE Cc1ccnc(C(=O)NC[C@@H]2CN(C(=O)OCc3ccccc3)CCO2)c1B1OC(C)(C)C(C)(C)O1 2282556422 HQVXPLGTLGHLNL-HXUWFJFHSA-N 495.385 2.457 30 10 JEEE Cc1nn(C)c(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)C2CCC2)c1B1OC(C)(C)C(C)(C)O1 2282573839 GPHLKYCIPLJZOT-MRXNPFEDSA-N 462.400 2.451 30 10 JEEE Cc1nn(C)c(C(=O)N[C@@](C)(CNC(=O)OC(C)(C)C)C2CC2)c1B1OC(C)(C)C(C)(C)O1 2282584824 GTPCYTPRFGQWNW-QHCPKHFHSA-N 462.400 2.451 30 10 JEEE CN(C(=O)OC(C)(C)C)[C@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(O)cc2O)C1 2282991540 HIQRBZPLGFDGFQ-AWEZNQCLSA-N 462.352 2.478 30 10 JEEE CC(C)(C)OC(=O)NCCN(CC(F)(F)F)C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2283056086 LKINVOVYKFUDEN-UHFFFAOYSA-N 474.289 2.305 30 10 JEEE CC(C)(C)OC(=O)N1C[C@]2(F)CCC[C@]2(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2284051504 OXPSDYQROMYLQN-NHCUHLMSSA-N 482.387 2.327 30 10 JEEE CC(C)(C)OC(=O)N[C@H](C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F)C1COC1 2285180510 IJQXUZXLLZKFRR-SFHVURJKSA-N 464.343 2.281 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H](NS(=O)(=O)c3cncc(B4OC(C)(C)C(C)(C)O4)c3)[C@H]1C2 2359273798 ZCMSLBQYJUXSKO-ZTFGCOKTSA-N 479.408 2.057 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](CNC(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)N2CC[C@H]1C2 2368743507 WZKGWDNPOOBYBQ-JKSUJKDBSA-N 477.436 2.471 30 10 JEEE Fc1ccc(-c2ccc(/C=N/Nc3nc(N4CCOCC4)nc(N4CCOCC4)n3)o2)cc1 59498605 RMKPWXZUWPFEJQ-BUVRLJJBSA-N 453.478 2.390 30 10 JEEE CC(C)CCOc1ccc([C@@H]2c3c(nc(N4CCC(C(N)=O)CC4)[nH]c3=O)NC(=O)[C@H]2C#N)cc1 72443927 WXTHHSDCDDRUSR-OALUTQOASA-N 478.553 2.120 30 10 JEEE CCN1CCN(C(=O)/C(C#N)=c2/s/c(=C\c3cccc(C)c3)c(=O)n2-c2ccc(F)cc2)CC1 97993602 CWTSCZOZEHENIZ-UXVOHKFYSA-N 476.577 2.014 30 10 JEEE N#C[C@@H]1C(=O)Nc2nc(N3CCc4ccccc4C3)[nH]c(=O)c2[C@H]1c1ccc2c(c1)OCCO2 101422857 HNBBYKWIAJLEEB-PXNSSMCTSA-N 455.474 2.328 30 10 JEEE COC(=O)c1cc2ccccc2c(C=NN(CCO)C2=NS(=O)(=O)c3ccccc32)c1O 254560441 UWDWGDYDDQDJNE-UHFFFAOYSA-N 453.476 2.109 30 10 JEEE Cc1ccccc1CC(=O)N1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)CC1 524431547 NZRFPTQCASVCLX-UHFFFAOYSA-N 456.449 2.320 30 10 JEEE C#CC[C@@H](NC(=O)c1cn(CCNC(=O)OCC2c3ccccc3-c3ccccc32)nn1)C(=O)O 757330491 HKYVERUCRUHRTR-OAQYLSRUSA-N 473.489 2.023 30 10 JEEE C#CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](CCN(C)C)C(=O)O 757544592 DBQCVBDTKYAWCN-DHIUTWEWSA-N 463.534 2.438 30 10 JEEE COc1ccc(NC(=O)CSc2nnc(NN=C(C)c3ccc4c(c3)OCO4)n2N)cc1OC 1084214679 MDAOJYLSFLAFLY-UHFFFAOYSA-N 485.526 2.305 30 10 JEEE C=CCCC[C@H](NC(=O)C1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1)C(=O)OC 1155466852 MEOSCLYGUBXXCR-FQEVSTJZSA-N 450.557 2.304 30 10 JEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 1286315032 TVUMYGVIOYPGRO-IRXDYDNUSA-N 468.624 2.185 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1C[C@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1286384398 QMKFSGNFDVTCAA-DLBZAZTESA-N 496.431 2.242 30 10 JEEE C#CCN(c1nnc(C2CCCC2)n1Cc1cccnc1OCCOC)[C@H]1CCS(=O)(=O)C1 1286394605 OWMDDORHSIGEIV-FQEVSTJZSA-N 473.599 2.031 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H]2CCC[C@H]2OC)CC1 1286493200 FHHNBANJCAAVQD-UYAOXDASSA-N 456.616 2.415 30 10 JEEE C=C(C)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1286584891 VQVBNVLMWBKOIK-INIZCTEOSA-N 466.633 2.136 30 10 JEEE C=CC1CCN(c2nnc(Cc3cccnc3)n2CCS(=O)(=O)N2CCSCC2)CC1 1286662893 ZZNGAOYFNSPRSY-UHFFFAOYSA-N 462.645 2.045 30 10 JEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](Oc2ncccc2F)C1 1286789864 IGYISIQUQHGSMF-SFHVURJKSA-N 468.537 2.024 30 10 JEEE CC(C)(C)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1287042174 BYTQLUPRIWVTPP-HXUWFJFHSA-N 485.658 2.409 30 10 JEEE CCNC(=O)C1(Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)CCC1 1296259379 ICMIIXGVHSAPLI-IRXDYDNUSA-N 472.615 2.381 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2Cc2cnn(CC(C)C)c2C)c1 1300333128 WTNCPPKLGJUINV-QFIPXVFZSA-N 488.596 2.495 30 10 JEEE C#CCN(c1nnc([C@@H](C)OCCOC)n1Cc1ccc2ncccc2c1)[C@@H]1CCS(=O)(=O)C1 1300485000 SUHFYYNIVPRMKK-WIYYLYMNSA-N 483.594 2.225 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1Cc1c(C)nn(C)c1C)[C@@H]1CCS(=O)(=O)C1 1300504813 SWTVWTABPXMWRJ-HXUWFJFHSA-N 482.610 2.191 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CCN(C(=O)OC(C)(C)C)C1CC1 1300509797 VFUQGWBQNKIEMY-UHFFFAOYSA-N 463.542 2.398 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1300516912 VDWNPVKVDDRGJJ-QGZVFWFLSA-N 471.583 2.335 30 10 JEEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1CCS(=O)(=O)Cc1ccccc1 1300621743 PMIQGEMRPHPVLO-UHFFFAOYSA-N 455.540 2.080 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCOC(C)(C)C1 1300631498 RFGJENYRCSNMBL-IBGZPJMESA-N 476.622 2.157 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(C(N)=O)nc1 1300649132 LBNCGICMTUSFMP-UHFFFAOYSA-N 472.528 2.461 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC[S@@](=O)CC 1300675992 JRWCNEVYVRDAGO-MYGHRHJXSA-N 453.609 2.205 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2CC2(NC(=O)OC(C)(C)C)COC2)CC1 1300723617 XUXIYZLLESDJDG-UHFFFAOYSA-N 486.617 2.195 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1Cc1ccccc1OCCN(C)C 1300813423 JSDAVFAUUKDYLQ-RUZDIDTESA-N 450.587 2.381 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC[C@H](CNC(=O)Nc2ccc(C)cc2)C1 1301497485 YAEQFZVRNPDFCT-LJQANCHMSA-N 489.584 2.384 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1CCSC1 1301531758 WQUUWPXSYYNXMN-AZUAARDMSA-N 493.655 2.166 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCCO[C@@H](C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1301596597 TYLLMHKWCGGVLH-OKZBNKHCSA-N 483.635 2.265 30 10 JEEE CC(C)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCCS2(=O)=O)[C@@H](C)C1=O 1303185461 DEEJFNMYXGVSSQ-RXVVDRJESA-N 484.626 2.477 30 10 JEEE CCc1nn(C)c(OC)c1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NC(C)=O)CC1 1306049676 HXNZZCHMWDUYAD-UHFFFAOYSA-N 462.558 2.274 30 10 JEEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCCN(c2nc(CC)ns2)CC1 1358918677 COKCWLZQTATPLN-UHFFFAOYSA-N 465.587 2.469 30 10 JEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC(Oc2cncc(Cl)n2)CC1 1359048653 YDHBFMJGFLVHTN-UHFFFAOYSA-N 476.006 2.372 30 10 JEEE C=C(C)Cn1c(CC)nnc1N1C[C@H](NC(=O)OC(C)(C)C)C2(CCS(=O)(=O)CC2)C1 1359122298 KZVDWBRPZLSVAA-INIZCTEOSA-N 453.609 2.325 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCN2C(=O)OC[C@]2(C)C1)C(C)C 1359264667 LSIJJNOPCIOSCP-CPJSRVTESA-N 485.633 2.244 30 10 JEEE C=CCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1359285868 UXIWRLUKPBXEFA-KRWDZBQOSA-N 454.575 2.328 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](CNC(=O)Nc2ccc(C)cc2)C1 1359301040 QFVPBWQGLCBWST-PMACEKPBSA-N 481.601 2.431 30 10 JEEE C=CCNC(=O)Cn1c(N2CCN(c3ccccc3F)C[C@H]2C)nnc1[C@]1(OC(C)C)CCOC1 1359305713 LDJGPXYKHBTRIW-CLOONOSVSA-N 486.592 2.475 30 10 JEEE CC[C@H](C)NC(=O)c1cccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)c1 1496202713 ABHQHUISYBYGBA-XKDCRVNJSA-N 488.589 2.199 30 10 JEEE C#CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)CC[C@H]2C1 1507566948 JLTPETVZZVZGAR-OALUTQOASA-N 472.590 2.201 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H](c1cccs1)N(C)C)[C@H]1CCS(=O)(=O)C1 1507629566 ODKVSZHSOSPCLL-HKUYNNGSSA-N 472.640 2.275 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CCC1CC(OCC)C1)[C@@H]1CCS(=O)(=O)C1 1507633771 GYRWBGVSDZCBTR-NYLDSWQDSA-N 457.600 2.096 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1cccc(N(C)C)c1)[C@@H]1CCS(=O)(=O)C1 1507635090 PNMTWNWOQPFXTD-JOCHJYFZSA-N 464.595 2.005 30 10 JEEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCN(CC(F)(F)F)C1 1507685409 PTWCLAVYIBVICR-INIZCTEOSA-N 459.480 2.265 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@](C)(O)c2cc(C)oc2C)CC1 1507721112 YOWNTESWCHVIAF-RPBOFIJWSA-N 471.602 2.191 30 10 JEEE C=CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(C(=O)NC)CC1 1507930751 ILTVYSUTDNZNRH-UHFFFAOYSA-N 460.608 2.056 30 10 JEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(OCC(F)(F)F)c1 1507982562 NCVDDKIFDQPTBL-QGZVFWFLSA-N 489.520 2.223 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CCO[C@@H]1C 1508008620 PTJNORGHHTYOIR-CDMIOBSGSA-N 464.563 2.052 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 1508095007 RJAKOVJYYOADSO-SFHVURJKSA-N 485.520 2.383 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)ccc2C)nnc1N1CCOC2(CCOCC2)C1 1508144854 YJPRRNYPANNEFO-UHFFFAOYSA-N 490.626 2.461 30 10 JEEE C=CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1508150663 GFRBCZZMOJCQMU-HNNXBMFYSA-N 457.025 2.431 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H]2CCN(c3ccccc3Cl)C2=O)ccc1F 1521811467 BPWMUAIHXHORED-MRXNPFEDSA-N 451.907 2.479 30 10 JEEE C=CCN1CC[C@H](N(C)C(=O)c2cccc(S(=O)(=O)N3CCc4ccccc4C3)c2)C1=O 1524738513 WEKYWZRXHIVMTK-QFIPXVFZSA-N 453.564 2.293 30 10 JEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@@H](CCSC)C(=O)N(C)C 1534761880 BPBCWUMDVOPQTB-AWEZNQCLSA-N 458.378 2.424 30 10 JEEE C#CCCCn1c(-c2cccc(Br)c2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1539096189 TWZZCLWMSWSLGS-UHFFFAOYSA-N 487.402 2.294 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1C[C@@H]1CCCN1CCCO)[C@@H]1CCS(=O)(=O)C1 1539211310 HHGBUDFAQYHNDE-LEWJYISDSA-N 492.045 2.072 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1CCc1ccc(N(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 1539211471 MHGZYHNJSWHGJP-OAQYLSRUSA-N 466.611 2.219 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCCN1CCC)[C@@H]1CCS(=O)(=O)C1 1539211636 JNLPJSIYFZFTEE-RBUKOAKNSA-N 477.034 2.495 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1Cc1ncccc1N(C)C)[C@H]1CCS(=O)(=O)C1 1539229944 JPFYKNGOZHUTSY-NRFANRHFSA-N 478.622 2.199 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2ccccn2)n1C[C@@H]1C[C@@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1539272218 VJKVNRAUPJOSFE-BAGYTPMASA-N 476.581 2.361 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2Cc2cccc(C(=O)NCC)c2)CC1 1539476482 YGYYGYVUDIRJHC-UHFFFAOYSA-N 473.581 2.047 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@](C)(O)C2CCCCC2)CC1 1539480640 DBDUWOSSBFTTLF-NLFFAJNJSA-N 457.619 2.469 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2CC[C@@H]2CCOC2)CC1 1539482741 OZNJKXRCVUGTIR-LJQANCHMSA-N 451.571 2.270 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2Cc2ccc(C[S@@](C)=O)cc2)CC1 1539484064 AWHFIQYPPZHRJH-PGUFJCEWSA-N 490.633 2.157 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1539491817 WUVUXZULKCCRKO-QGZVFWFLSA-N 455.588 2.033 30 10 JEEE C=CC1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCn2cncn2)CC1 1539890250 LCJJCRNOZWKBBE-GOSISDBHSA-N 458.567 2.281 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CCCN2CCOCC2)CC1 1540865415 FWHLMYWLCXFBPT-UHFFFAOYSA-N 477.613 2.448 30 10 JEEE C=CCOc1ccc(Cn2c(Cc3ccncc3)nnc2N2CCO[C@@H](CNC(C)=O)C2)cc1 1540878717 FZMPULSLFWYFST-QHCPKHFHSA-N 462.554 2.218 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1540902475 KOXYCNDBQQBTHL-IBGZPJMESA-N 471.583 2.302 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CC[C@H](c2cnn(C)c2)C1 1540908815 OKMCFSQKTWRKHA-KRWDZBQOSA-N 474.562 2.324 30 10 JEEE COCCN1C[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(CC(C)C)C(=O)[C@H]2C)CC1=O 1555574714 HZMPEKILLWFMFE-CTNGQTDRSA-N 493.612 2.005 30 10 JEEE C#CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCC(NC(=O)COC)CC1 1587847218 FVDXCJRQHCJGFY-UHFFFAOYSA-N 491.596 2.210 30 10 JEEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCN(CCC)C(=O)C1 1587860802 BKWSYEOZYKUKPW-IBGZPJMESA-N 474.606 2.449 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CC(=O)NCCC)[C@H]1CCS(=O)(=O)C1 1588029686 KQVDXWVOTCTZMT-UXHICEINSA-N 487.626 2.188 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1CC1CCN(C(C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1588068942 CLQQNBIWHBDYRR-QFIPXVFZSA-N 499.637 2.051 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(CN2CCO[C@@H](C)C2)c1 1588078136 BQEAIGONZVLXQT-NRFANRHFSA-N 483.576 2.267 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1588112939 CVTVGTSJZJFGAY-HXUWFJFHSA-N 477.487 2.298 30 10 JEEE C#CCN(CCOC)c1nnc(COc2ccc(Cl)cc2)n1C[C@H]1CCS(=O)(=O)C1 1588697766 VVSPGCSSSDRNOL-MRXNPFEDSA-N 452.964 2.031 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCN(CC)C2CC2)CC1 1588899008 KKQYSPNVQUVSMB-UHFFFAOYSA-N 465.558 2.303 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(OC)cc2F)CC1 1588968350 JCDIDMSBCNWZRB-UGKGYDQZSA-N 485.560 2.164 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1589502996 AYGKZOBSNLKVFS-GIVPXCGWSA-N 475.615 2.453 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@H](C)OC)C1 1595728315 AWIFYIYVCLCUEP-KURKYZTESA-N 451.568 2.403 30 10 JEEE C#CCN(C(=O)CS(=O)(=O)NC1CCC(C)CC1)C1CCN(C(=O)OC(C)(C)C)CC1 1596147094 KXLUUXUFOZYXLX-UHFFFAOYSA-N 455.621 2.346 30 10 JEEE CCNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCC(=O)N(CC)CC)CC1 1615958936 HNBDPDLZHWSUBD-UHFFFAOYSA-N 466.590 2.317 30 10 JEEE C=CCn1c(S)nc2cc(C(=O)N3CC[S@](=O)C[C@@H]3c3cnn(CC)c3)ccc2c1=O 1618580531 QXXWODDNVVGZIX-OKXSDPAFSA-N 457.581 2.033 30 10 JEEE COCCN1C[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(O)(C(F)(F)F)CC2)CC1=O 1619927433 GRQYZVFJHOYQNT-QGZVFWFLSA-N 492.502 2.205 30 10 JEEE CCOC(=O)c1cc2n(n1)C[C@@H](C)N(S(=O)(=O)c1cccc(Br)c1C#N)C2 1622582046 GEXJMYNPPRRTKV-LLVKDONJSA-N 453.318 2.287 30 10 JEEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(CCC(N)=O)CC1 1689931917 LVPOJAKOIJQLLY-IBGZPJMESA-N 474.606 2.482 30 10 JEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1nncn1-c1ccccc1 1689966281 OIFUZUGEPNTHBB-IBGZPJMESA-N 478.557 2.285 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CCO[C@@H]1C(C)C)[C@H]1CCS(=O)(=O)C1 1689982079 HKERDZDVVDZWCA-JCUDRXCFSA-N 494.658 2.007 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1CCCc1ccccc1F)[C@H]1CCS(=O)(=O)C1 1689988132 JUMZOBBEAQQSSI-SFHVURJKSA-N 454.531 2.134 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(F)ccc3Br)n2Cc2ccc(C(N)=O)nc2)CC1 1690115195 WLTQDBMLJOPLJF-UHFFFAOYSA-N 498.360 2.144 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2nccn2C(F)F)CC1 1690132251 MYEFLUAIJQAFIY-UHFFFAOYSA-N 452.469 2.124 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@](C)(OC)C2CC2)CC1 1690152645 SPKOBJAFSYOWTG-XMMPIXPASA-N 484.626 2.051 30 10 JEEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CCCCC2)CC1 1690465130 SJGDGFKIBNTUTJ-OAQYLSRUSA-N 480.679 2.422 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1690664421 RTRZFRHUTLJEAL-UHFFFAOYSA-N 497.003 2.281 30 10 JEEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1690674990 MOAJOMADOOHZQN-UHFFFAOYSA-N 493.568 2.163 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCN(C[C@H]2CCCO2)CC1 1690720754 RVOLIWKKZPROAJ-HXUWFJFHSA-N 459.616 2.155 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1690725684 YRIKXZGMZAYZJU-UHFFFAOYSA-N 488.658 2.408 30 10 JEEE Cc1nccn1CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CCC(N)=O)CC1 1693389722 CPTPHDTYXHVZIJ-UHFFFAOYSA-N 462.558 2.416 30 10 JEEE CC[C@@H](C)[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1693933877 HKGKQHCEOXENAQ-KBMIEXCESA-N 481.601 2.188 30 10 JEEE CCCOc1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CC(=O)N2CCOCC2)cn1 1695456170 HAYAGUSVBOWFDI-UHFFFAOYSA-N 475.553 2.344 30 10 JEEE CCN(CC)C(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cc(C)on2)CC1 1695601562 GMMPONZTYFWWIE-UHFFFAOYSA-N 492.584 2.064 30 10 JEEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN(C)[C@@H](C)CC)C1 1695945216 CXUJAZGTTFSTJQ-PXNSSMCTSA-N 459.620 2.065 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(C(=O)Nc2ccccn2)n1C[C@@]1(O)CCSC1 1698047647 HJWXHDDUZIIFBN-DEOSSOPVSA-N 493.593 2.318 30 10 JEEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCN1CCOCC1(C)C 1705501303 XSSSUPQNVLVTQT-QHCPKHFHSA-N 479.673 2.212 30 10 JEEE C#CCCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1705511385 SOPHROZCZLVAGN-QGZVFWFLSA-N 462.572 2.398 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(OCC(F)(F)F)nc1 1705598633 NACBUYVUGAGEQM-SFHVURJKSA-N 495.527 2.222 30 10 JEEE C#CCN(CC#CC)c1nnc(COc2ccc(Br)cc2)n1C[C@@H]1COCCO1 1705601494 LDZRIBLQLACYPB-LJQANCHMSA-N 459.344 2.498 30 10 JEEE C=C(Br)Cn1c(N2CCCN(C(C)=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1705692750 RQJLGZVSTDATHW-LJQANCHMSA-N 456.385 2.286 30 10 JEEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(C(=O)NCCCC)CC1 1705901218 FHARSWOOCMUZSV-UHFFFAOYSA-N 492.584 2.029 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1705903690 QKUMJOUSLRTXCD-UHFFFAOYSA-N 453.591 2.394 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)OC)CC1 1705910457 CNSTUTQOAWJHOG-UHFFFAOYSA-N 454.531 2.016 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC=C(C)C1 1705913401 MWUBFPSNFCFKKV-NRFANRHFSA-N 473.599 2.381 30 10 JEEE N#Cc1ccccc1N1CCCN(c2nnc(-c3cccnc3)n2CC(=O)NCC(F)F)CC1 1712881675 DNKNDPZJWMSSMJ-UHFFFAOYSA-N 466.496 2.310 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OCC)CCOC3)n2Cc2cc(C)no2)c1 1722304760 GCLANXFKLLDGHB-DEOSSOPVSA-N 464.526 2.331 30 10 JEEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1722321504 GTNXKSJMIATQPC-UHFFFAOYSA-N 457.494 2.071 30 10 JEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1722326404 TUOFPCBMXNRSCF-QHCPKHFHSA-N 457.600 2.063 30 10 JEEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccccc1CN1CCC[C@H]1CO 1722343362 GVHZODYJTPCMOS-JYFHCDHNSA-N 467.614 2.393 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1C[C@@H]1[C@H](C)CCN1C(=O)OC(C)(C)C 1722425428 YKAVOYLKHYBIMM-IEBWSBKVSA-N 457.579 2.410 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@@]2(OC)CCOC2)CC1 1722443233 PZKPBMXNGWJWDF-DEOSSOPVSA-N 487.988 2.378 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCN(C(=O)c2ccccn2)CC1 1722492776 URVBZDAUWGEZSV-URVUXULASA-N 484.601 2.341 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cnn(C)c2)n1Cc1ccc(C(N)=O)nc1 1722652477 GXPQYAXEUCSRKX-UHFFFAOYSA-N 458.526 2.422 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1722699909 PDHUUBIRGROOQV-UHFFFAOYSA-N 484.561 2.017 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCN2CCCS2(=O)=O)C1 1722720817 AUNKEMDRGKCREE-IBGZPJMESA-N 482.006 2.327 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCN(c2ncccc2C#N)CC1 1722729063 DQMMRNSDFVZCBT-UHFFFAOYSA-N 491.621 2.371 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1CN1CCC[C@@H]1CO 1722861040 AJLDUUULGHDCDF-SIKLNZKXSA-N 465.602 2.115 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(C(=O)N2CCCC2)n1CCC(=O)N1CCCCC1 1730750082 IDEMZUVTPKXWAZ-UHFFFAOYSA-N 493.612 2.441 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1Cc1ccccc1CN1CCC[C@H]1CO)[C@H]1CCS(=O)(=O)C1 1740617837 XWMAKXOHSKNUAJ-QDSKXPNFSA-N 499.681 2.423 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(O)CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1740618987 FDYKUHGWHCKRKZ-YKSBVNFPSA-N 467.595 2.385 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC1([S@](C)=O)CC1 1740668954 GGTCTUHURIOHOV-YTTGMZPUSA-N 452.584 2.436 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OC)n2C[C@]2(O)CCC[C@@H]2C)CC1 1740707414 BDSRWORHUMIJAN-AFMDSPMNSA-N 481.597 2.383 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H]1CC(=O)N(CCOC)C1 1740727532 PGIUUBMKDHEKJL-AVRWGWEMSA-N 467.570 2.449 30 10 JEEE C=CCCOCCn1c(-c2noc3c2COCC3)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1740884801 NIIZDMDUICOKOR-UHFFFAOYSA-N 498.506 2.493 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)O[C@H](C)C1)C(C)C 1740927044 QBBOGHRLLVUVIL-XRXFAXGQSA-N 465.664 2.492 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1740953463 GWZOHFXWUATAKJ-ARFHVFGLSA-N 463.380 2.067 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(c2cccc(OCC)n2)CC1 1740955824 ANMBHPNEXKOZMO-UHFFFAOYSA-N 451.531 2.269 30 10 JEEE C=CCSCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1741004611 GNBLZSKRMQQOFW-MRXNPFEDSA-N 493.058 2.290 30 10 JEEE CC(C)C[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C)N(C)C 1741422404 HHLZXDLKJBFVGZ-VAMGGRTRSA-N 467.622 2.135 30 10 JEEE CNC(=O)[C@@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1748121065 DDASHSFBPQZLHN-SLFFLAALSA-N 497.644 2.435 30 10 JEEE CNC(=O)[C@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(N(C)C)CCSC2)C1 1748142934 BCEHNXZJKBJMBE-DNQXCXABSA-N 483.642 2.128 30 10 JEEE C#CCN(c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC(=C)C)[C@@H]1CCS(=O)(=O)C1 1748814289 CSWXVLOMPNZFJR-GOSISDBHSA-N 480.594 2.268 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1Cc1c(C)nn(C)c1C)[C@H]1CCS(=O)(=O)C1 1748824001 GYRKZPIGZWFAQR-IBGZPJMESA-N 486.573 2.022 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CC=CCO1 1748881082 BHFPMQHZFAJYAI-HXUWFJFHSA-N 453.568 2.003 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(N(C)C)CCC1 1748965971 YKPDUXNXNNJDKE-IBGZPJMESA-N 476.622 2.157 30 10 JEEE C=C(C)CN(CC)c1nnc(CN2CCCC2=O)n1Cc1ccccc1S(=O)(=O)N(C)C 1749165827 PORKKCDTQAZWEJ-UHFFFAOYSA-N 460.604 2.102 30 10 JEEE C=CCCCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1749397283 UDLRFZSEKFCYGI-UHFFFAOYSA-N 453.551 2.092 30 10 JEEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC2(CC1)CNC(=O)C2 1749414219 BSIQPVKFVWXIAT-UHFFFAOYSA-N 472.615 2.268 30 10 JEEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)c2ccccc2)CC1 1749457614 SQGDYPHKBALOIR-HXUWFJFHSA-N 452.559 2.174 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCCO2)n1CC(=O)N1CCOCC1 1749531632 JZVXESGKHOLAEB-OAQYLSRUSA-N 450.543 2.443 30 10 JEEE C=CCn1c(-c2cc(Br)cn2C)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1749608219 UDAHUDGRKQRTOQ-AWEZNQCLSA-N 462.396 2.021 30 10 JEEE N#Cc1ccccc1N1CCN(c2nnc([C@H]3CCCCO3)n2CC(=O)NCC(F)(F)F)CC1 1750384629 HVBFYTLJVUIBNI-GOSISDBHSA-N 477.491 2.396 30 10 JEEE CC(C)(C)Cc1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CCCn1cc(CO)nn1 1750476209 DGCHJUYFVJFBRQ-OAQYLSRUSA-N 464.574 2.490 30 10 JEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2cc(F)ccc2OC)CC1 1760155023 NXMUORFXRQWYHW-SFHVURJKSA-N 475.590 2.064 30 10 JEEE C#CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H](C)CN1CCOCC1 1760172573 UAZGGVYGDUDBQY-LJQANCHMSA-N 460.623 2.430 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@H](C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1760180413 FBHCQJUBRHSGNR-LEEZEASISA-N 472.611 2.361 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H](C)Oc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1760193018 REARFYQCJALCQM-XKGZKEIXSA-N 462.547 2.363 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@](C)(O)c1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 1760193351 XOAMTKKGZIHILY-NBCNXNJRSA-N 479.002 2.317 30 10 JEEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC(C)(C)C(=O)NC 1760206322 WKKIUTVFUGDRFW-UHFFFAOYSA-N 456.591 2.238 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H]2CCCCO2)CC1 1760267433 LPGHALYTSPCMTN-HXUWFJFHSA-N 467.570 2.497 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H]2CCO[C@H](C)C2)CC1 1760271904 QQVWSCHUMGDEOE-AEFFLSMTSA-N 456.616 2.415 30 10 JEEE C#CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(S(=O)(=O)CC)CC1 1760281133 YMLBMKCRSVIWGC-UHFFFAOYSA-N 486.623 2.364 30 10 JEEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)NCCCOCC)CC1 1760300016 PIWKDRGAILQCPE-UHFFFAOYSA-N 497.438 2.182 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1760526306 KNKKIHYPEORMKT-VWLOTQADSA-N 482.585 2.488 30 10 JEEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1760526466 AJHQWPCOIDQJJX-HXUWFJFHSA-N 482.629 2.064 30 10 JEEE CC(=O)N1CCN([C@@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCCCCCO)C[C@H]2C)CC1 1760623717 UHRRDWSCYUXIPV-HYBUGGRVSA-N 479.629 2.358 30 10 JEEE CC(=O)Nc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@](C)(C#N)C2)cc1 1760626592 HBJTUACTGFUEBK-VFNWGFHPSA-N 459.576 2.025 30 10 JEEE Cc1ccc(SCCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@](F)(C#N)C2)cc1 1761881843 DWUJHBINCMDBCY-NQIIRXRSSA-N 494.618 2.154 30 10 JEEE Cc1nccnc1CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)C[C@@H](C)C#N 1762371765 COEDUCKJNBUTKN-INIZCTEOSA-N 468.587 2.132 30 10 JEEE CCC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1)OC 1763857680 IAJGXVRZNXPRGX-NRFANRHFSA-N 474.569 2.452 30 10 JEEE COc1cc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCN2CCC(O)CC2)ccc1OC(C)C 1768279671 BJHUCZMMMWFJDT-OAQYLSRUSA-N 484.601 2.316 30 10 JEEE CCN(CC)S(=O)(=O)c1ccc(C(=O)N[C@@H]2CCN(C(=O)c3cccc(C#N)c3)C2)cc1 1858298800 ZLZPKGXHJUDLAC-HXUWFJFHSA-N 454.552 2.233 30 10 JEEE COc1cc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2CCCNC=O)cc(OC)c1O 1862761604 NUGNZANCUOIOAA-LJQANCHMSA-N 485.449 2.032 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)Nc2ccccn2)cn1CCN1C(=O)CSC1=O 1870502226 GMPATYGPQRQNPU-UHFFFAOYSA-N 497.577 2.130 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCCCC)cn1CCCN1CCCC1=O 1870514654 MBKNXXPVAODUSJ-UHFFFAOYSA-N 458.603 2.330 30 10 JEEE COc1ccc(/C=N/Nc2cnn([C@H]3CCS(=O)(=O)C3)c(=O)c2Cl)cc1Br 1873529698 XJVZUIKOJIIQCR-MDIIPYEWSA-N 475.752 2.473 30 10 JEEE COCCc1nnc(SCC(=O)Nc2nccs2)n1/N=C/c1ccc(C(=O)OC)cc1 1874470728 OONFKBYRGITMIC-SRZZPIQSSA-N 460.541 2.323 30 10 JEEE Cc1nnc(N2CC(NC(=O)[C@H]3SCC(=O)N(C(C)C)[C@@H]3c3ccc(C#N)cc3)C2)s1 1890387994 BXOAJSLICRHKOW-MOPGFXCFSA-N 456.597 2.117 30 10 JEEE CC(C)N1C(=O)CS[C@H](C(=O)N2CCN(C(=O)C3CCC3)CC2)[C@@H]1c1ccc(C#N)cc1 1890599906 LCZALXVNYCQHBK-VXKWHMMOSA-N 454.596 2.423 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]1NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2247901529 LSKKBFKGYKEFSP-ZIAGYGMSSA-N 458.411 2.132 30 10 JEEE CC(C)(C)OC(=O)NCC[S@@](C)(=O)=NC(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2255877325 JEJXQAQZLLHGBN-WJOKGBTCSA-N 453.370 2.144 30 10 JEEE CC(C)(C)OC(=O)NCC[S@@](C)(=O)=NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2255886139 CIPUQVOGFGFOTH-WJOKGBTCSA-N 453.370 2.144 30 10 JEEE Cc1cc(CN(C)C(=O)[C@H](CO)NC(=O)OC(C)(C)C)sc1B1OC(C)(C)C(C)(C)O1 2256612417 DGENATAPZBOHNH-HNNXBMFYSA-N 454.398 2.200 30 10 JEEE CN(Cc1csc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)CN(CCO)C(=O)OC(C)(C)C 2256612464 DVAZVCDJINHHFU-UHFFFAOYSA-N 454.398 2.235 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)CC[C@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2256678047 KHNQJCPXOBMYHZ-OLZOCXBDSA-N 453.370 2.141 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1COC[C@H]1CC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2256679103 UNHHEGOBTDMSAW-OLZOCXBDSA-N 453.370 2.311 30 10 JEEE Cc1c(C(=O)N(C)CCCN(C)C(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2267002246 WVCSYZHYLUFKFB-UHFFFAOYSA-N 450.389 2.357 30 10 JEEE CN(CC(C)(C)CNC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2267126702 MYWYKWAFWDAYGO-UHFFFAOYSA-N 450.389 2.342 30 10 JEEE CC1(C)OB(c2csc(S(=O)(=O)NC[C@H]3CCCN(C(=O)C(F)(F)F)C3)c2)OC1(C)C 2267368628 LTMXMWDSDOTKSV-GFCCVEGCSA-N 482.355 2.127 30 10 JEEE C[C@@H]1C[C@@H](NS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CN1C(=O)OC(C)(C)C 2267377456 IPMMPZLWGOFWEE-GDBMZVCRSA-N 467.397 2.057 30 10 JEEE CC1(C)OB(c2scnc2CS(=O)(=O)NC[C@@H]2CCN(Cc3ccccc3)C2)OC1(C)C 2267472856 WXQZAIYSMFGPOD-SFHVURJKSA-N 477.461 2.384 30 10 JEEE C[C@@H]1[C@H](NS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CCN1C(=O)OC(C)(C)C 2267704345 LYGBRYWNIWONFK-RHSMWYFYSA-N 467.397 2.057 30 10 JEEE Cn1ncc(C(=O)N[C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)c1B1OC(C)(C)C(C)(C)O1 2281813481 CZQFEEMYEZYCGF-SESVDKBCSA-N 450.392 2.360 30 10 JEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1CCNC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2281820799 HQWMNRFCMWHNBA-HOTGVXAUSA-N 462.400 2.342 30 10 JEEE Cn1ncc(C(=O)N2C[C@H]3C[C@H](NC(=O)OC(C)(C)C)C[C@H]2C3)c1B1OC(C)(C)C(C)(C)O1 2281827170 RZEDKUOWJDIUHX-HRCADAONSA-N 460.384 2.237 30 10 JEEE Cn1cc(C(=O)NC[C@@H]2CC3(CC3)CN2C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2281964668 ASAJWABAZAUPDU-HNNXBMFYSA-N 460.384 2.239 30 10 JEEE Cc1nn(C)c(C(=O)N(C2CC2)C2CN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2281984279 BGGXLLYWPAYRCL-UHFFFAOYSA-N 460.384 2.252 30 10 JEEE Cc1nn(C)c(C(=O)NCC[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2281986486 SUFAPBCSCMWHQX-WKILWMFISA-N 462.400 2.451 30 10 JEEE CCn1cc(C(=O)N2C[C@H]3C[C@H]2CN(C(=O)OC(C)(C)C)C3)nc1B1OC(C)(C)C(C)(C)O1 2282033184 QAGBHPLFBODHON-HOTGVXAUSA-N 460.384 2.284 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2C[C@@H](CNC(=O)OC(C)(C)C)C2(C)C)n1 2282047489 YWCUVQZGHJZWQH-GOEBONIOSA-N 462.400 2.389 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@H](CNC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1(C)C 2282062613 APDCJYOUYKSWNY-ZBFHGGJFSA-N 460.384 2.445 30 10 JEEE CC(C)(C)OC(=O)N1CC([C@@H]2CCCN(C(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)C2)C1 2282589854 TWBPSGXYWBAAMJ-OAHLLOKOSA-N 460.384 2.428 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)n1 2282590226 YHARPPAJAXZYOM-NPMXOYFQSA-N 460.384 2.189 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC(O)(CNC(=O)OC(C)(C)C)CC1 2282594122 ADMIXAGYRVUPFS-UHFFFAOYSA-N 481.424 2.243 30 10 JEEE COCCN(CCNC(=O)c1ncc(C)cc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2282656303 HCOFMTFHJUHIMY-UHFFFAOYSA-N 463.384 2.303 30 10 JEEE COC[C@@]1(NC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)CCN(C(=O)OC(C)(C)C)C1 2282664318 BDWDVGXTDJQYTO-HSZRJFAPSA-N 461.368 2.137 30 10 JEEE CC[C@@H]1CN(S(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CCN1Cc1ccccc1 2282842120 SYSLYGXIGFFYMV-LJQANCHMSA-N 474.436 2.004 30 10 JEEE C[C@H]1CN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C[C@@H](C)[C@@H]1NC(=O)OC(C)(C)C 2283058358 DQNDKHJETXEDBU-ZSHCYNCHSA-N 460.384 2.397 30 10 JEEE Cc1nc(NC(=O)C[C@H]2CN(C(=O)OC(C)(C)C)CCO2)ncc1B1OC(C)(C)C(C)(C)O1 2283983952 QJKIQIIBUXCSMB-HNNXBMFYSA-N 462.356 2.049 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@H]2[C@@H](C(=O)NCc3ccccc3B3OC(C)(C)C(C)(C)O3)[C@@H]21 2284036684 JCJYTZDUCPVGLY-GBESFXJTSA-N 458.364 2.236 30 10 JEEE CCOC(=O)c1ccc(N=C(Cc2nc3c(O)nc(=O)n(C)c3[nH]c2=O)c2ccccc2)cc1 2297640438 GTIQLZVNWUQJJR-UHFFFAOYSA-N 459.462 2.263 30 10 JEEE COc1cc(C=NNC(=S)NCCN2CCOCC2)cc(Br)c1OC(C)C 2323045756 JGHPNQNXDFCLRL-UHFFFAOYSA-N 459.410 2.375 30 10 JEEE COc1ccc(OC)c([C@@H]2CCCN2C(=O)CN2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 31294851 LZLZNMLRRRQFLL-QFIPXVFZSA-N 498.605 2.245 30 10 JEEE CCOC(=O)[C@@H]1CCCN(c2nc(=O)c3c([nH]2)NC(=O)[C@@H](C#N)[C@H]3c2c[nH]c3ccccc23)C1 203567653 PTOUMTNWGZCRJZ-XUWXXGDYSA-N 460.494 2.254 30 10 JEEE N#CCC(=O)N1CCC(CNC(=O)CCCN2C(=O)c3ccc(Br)cc3C2=O)CC1 219542991 NCNHOEYMLNCZLD-UHFFFAOYSA-N 475.343 2.094 30 10 JEEE COc1ccc(N2C(=O)C(Sc3nc(C)cc(C)c3C#N)=C(N(C)CCO)C2=O)c(OC)c1 526695513 ZLBXDJNTUUJIFZ-UHFFFAOYSA-N 468.535 2.389 30 10 JEEE CCNS(=O)(=O)c1ccc(NC(=O)CSc2n[nH]c(NN=Cc3cccs3)n2)cc1 1084350270 HSGRHULJVJAQSV-UHFFFAOYSA-N 465.586 2.341 30 10 JEEE COC(=O)c1ccc(C=NNc2nnc(SCC(=O)NCCc3ccccc3Cl)n2N)cc1 1084403671 AWDGCPJWFHYWSS-UHFFFAOYSA-N 487.973 2.329 30 10 JEEE C#CCCCn1c(Cc2ccccc2OC)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1286352225 YGZGSPVEVOQRDI-NRFANRHFSA-N 464.614 2.424 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCCN(CC)CC)[C@@H]1CCS(=O)(=O)C1 1286389250 ZXSOHPMDZODPJV-GOSISDBHSA-N 465.023 2.352 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCOc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1286390757 CCSIIUAENNAEFU-ICSRJNTNSA-N 462.547 2.365 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H]1CCCO[C@H]1C(C)C)[C@@H]1CCS(=O)(=O)C1 1286394945 YHSOQZMYNAHIBH-XJUOHMSHSA-N 471.627 2.342 30 10 JEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCN1CCCCC1=O 1286400674 JGTAMTKBAAZUKL-UHFFFAOYSA-N 481.626 2.022 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccn2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1286562356 QZXISYTZQUJBJD-OFNKIYASSA-N 467.618 2.312 30 10 JEEE C=C(C)COCCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1286604048 NQUOVHJHSKZYFK-APWZRJJASA-N 457.531 2.490 30 10 JEEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(N2CCOCC2)cc1 1286620935 WNSVKMJXZKIXDY-MRXNPFEDSA-N 469.011 2.114 30 10 JEEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(N2CCCC2=O)c1)C1CC1 1286732263 OQIDSCXFZSXNJB-INIZCTEOSA-N 458.588 2.218 30 10 JEEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 1286776847 GSNAGFSLYJUMAK-UHFFFAOYSA-N 450.568 2.347 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC(C(=O)c2ccc(O)cc2)CC1 1286788517 XYLNBYLREZUSER-IBGZPJMESA-N 453.543 2.279 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1C[C@H](OC)[C@H](OC)C1 1286791749 BLZWXMDFRKTDLZ-CALCHBBNSA-N 470.357 2.316 30 10 JEEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1286792019 KGMIQTCQMUKOEW-UHFFFAOYSA-N 479.585 2.395 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(=O)OC)C1 1286798705 LABDLGLCOPXGEG-RTBURBONSA-N 474.583 2.183 30 10 JEEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCCCS(C)(=O)=O)[C@@H](C)C1 1286878211 WJKDIYZYAALLOL-KRWDZBQOSA-N 458.588 2.089 30 10 JEEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(C(C)(C)C)n1CC[S@](=O)C(C)(C)C 1291194890 GVHWSBLMEXITLJ-KNTRGWTASA-N 458.636 2.500 30 10 JEEE CC(C)[C@](C)(O)Cn1c(Cc2cccnc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1291194974 HYCBERSCYXQFHK-HOYKHHGWSA-N 461.574 2.048 30 10 JEEE COc1cc(C(=O)NCC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)ccc1OC(F)F 1293348847 FIIRNILIEGREPQ-GOSISDBHSA-N 458.465 2.263 30 10 JEEE CCCn1nc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CC(C)(C)C(=O)NC)c2ccccc2c1=O 1294767331 HHXHMSFOIKAGTN-DEOSSOPVSA-N 480.548 2.279 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(NC(=O)N(C)C)cc1 1300553655 NSLBESUCCCMSHG-FPOVZHCZSA-N 450.543 2.217 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1CCC[C@H](O)C1 1300647783 ABWZNAZPCWBNKI-QUCCMNQESA-N 459.978 2.499 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC(C)(C)N2C[C@@H](C)C[C@@H](C)C2)CC1 1300681808 CJFARVKLOIDTRE-OYRHEFFESA-N 478.645 2.437 30 10 JEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](CN2CCCCCC2)C1 1300732884 FLMIBXWHUDMFLN-PMACEKPBSA-N 482.720 2.347 30 10 JEEE C=CCCOCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1301247037 YSAAHSMYLIXLFM-UHFFFAOYSA-N 491.614 2.169 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 1301499977 IBSHMKXKYTZUSQ-IBGZPJMESA-N 454.579 2.062 30 10 JEEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCO[C@H](c2nccs2)C1 1301509712 MPOZWUQCPRXALG-SFHVURJKSA-N 454.556 2.236 30 10 JEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCCN(C(=O)c2cccc(C)c2)CC1 1301510617 ZDZWWDHLAPOZNK-UHFFFAOYSA-N 490.612 2.103 30 10 JEEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 1301609505 KLGYMYFSAGFFPI-VQTJNVASSA-N 456.616 2.004 30 10 JEEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1301611486 CGVYYBWILXANKB-QGZVFWFLSA-N 481.619 2.351 30 10 JEEE CS(=O)(=O)C1(Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CCO[C@@H](C#N)C2)CCC1 1302425355 HUURIKCRMYWDHQ-INIZCTEOSA-N 467.498 2.243 30 10 JEEE Cc1cnc([C@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(S(C)(=O)=O)CC2)s1 1304608687 DWJHEDMWBKBMAR-OAHLLOKOSA-N 471.612 2.467 30 10 JEEE CNC(=O)c1cccc(Cn2c(CC(C)C)nnc2N2CCN(c3cc(C#N)ccn3)CC2)c1 1314981590 HKVHCOHJZDOVHX-UHFFFAOYSA-N 458.570 2.478 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2C[C@@]2(O)CCSC2)c1 1358903359 UESLLTMGNMSARB-DEOSSOPVSA-N 462.579 2.188 30 10 JEEE C#CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@@H](C)C(=O)NC 1358913056 DYDKKIGAUAVANI-QZTJIDSGSA-N 462.595 2.208 30 10 JEEE C#CCN(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1CC1(O)CCS(=O)(=O)CC1 1358944407 SGQFQQGFVFLFGO-UHFFFAOYSA-N 460.600 2.379 30 10 JEEE C#CCN(c1nnc([C@H](C)OCCOC)n1Cc1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 1358957554 VWUUTEKGGTXWTL-QFBILLFUSA-N 466.991 2.331 30 10 JEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CC1CCS(=O)(=O)CC1)[C@H]1CCS(=O)(=O)C1 1358958056 GTKYKXUCVABVQS-IBGZPJMESA-N 497.042 2.050 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCOc1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 1358963564 KFEZRENQMLGIAZ-VQTJNVASSA-N 458.584 2.186 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H](C(C)C)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1358965689 ZGGPLGLZZQORFZ-YADHBBJMSA-N 470.643 2.011 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H](c1cccc(OC)c1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1358967260 GXSZYTWJHVFLRM-BAGYTPMASA-N 487.626 2.068 30 10 JEEE C#CCN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCCn1cc(CO)nn1 1359008841 BPBUPDAQUDLQHU-UHFFFAOYSA-N 472.594 2.026 30 10 JEEE C#CCN(CCOC)c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1359025756 XXIHOBSJQBSSDF-RBBKRZOGSA-N 489.617 2.298 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCCOC[C@@H]2CCCO2)CC1 1359028441 RYSDBYWWJVLDTF-QHCPKHFHSA-N 480.613 2.488 30 10 JEEE C#CCN1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CCOCCC(C)C)CC1 1359034269 KAEIDQONVOBHKB-UHFFFAOYSA-N 477.613 2.493 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2Cc2ccc(OC)cc2F)CC1 1359046061 CHXPQBLNFWYNCH-UHFFFAOYSA-N 462.529 2.426 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCCO2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1359098770 FROAOWBGTPKZSE-SXLOBPIMSA-N 467.636 2.409 30 10 JEEE C=CCN(CCOC)c1nnc(-c2cccc(C)n2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1359281216 SDMDCLXSCGBAKP-TZIWHRDSSA-N 474.631 2.492 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1359297025 BTDIRIJVFXURPB-FQEVSTJZSA-N 475.347 2.041 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1c1cccc(C)c1 1359326634 GMYKPOFLEWXTQU-MJGOQNOKSA-N 481.644 2.139 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1360562692 CKYNLFZVUCNZKN-XHSDSOJGSA-N 454.597 2.174 30 10 JEEE C#CCN1CCC(NC(=O)c2ccc(CNS(=O)(=O)c3ccc(C(C)=O)cc3)cc2)CC1 1455950520 ZGXUPWRWIZMDBN-UHFFFAOYSA-N 453.564 2.195 30 10 JEEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(-c3ccc(OC(F)F)cc3)s2)CC1 1471450707 HKWTYZGXWCRZSS-UHFFFAOYSA-N 455.508 2.242 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1ccccc1OC 1507588845 ROYIUSVRWOUABN-CTNGQTDRSA-N 473.599 2.375 30 10 JEEE C#CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN2C(=O)NC[C@H]2C1 1507589947 AIQBIFSEUKJLOT-MSOLQXFVSA-N 457.579 2.020 30 10 JEEE C#CCN(c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCCNC(C)=O)[C@H]1CCS(=O)(=O)C1 1507625775 AVBPYCCAZXBRBO-APWZRJJASA-N 489.667 2.284 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1(N(C)C)CCCC1)[C@@H]1CCS(=O)(=O)C1 1507628119 UYTSIGJZGPZDTG-HXUWFJFHSA-N 486.598 2.354 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@H](C)c1nccs1)[C@@H]1CCS(=O)(=O)C1 1507640161 PYKZMPUKOXWNSI-CRAIPNDOSA-N 473.628 2.027 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(F)ccc3Br)n2CCCNC(C)=O)CC1 1507718959 XGRGWMNTXPQLSG-UHFFFAOYSA-N 463.355 2.128 30 10 JEEE C#CCSCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1507750040 GTMJGOCAAUOJFD-QGZVFWFLSA-N 458.613 2.367 30 10 JEEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1507756993 SSTPTHYQCVIQEV-VXKWHMMOSA-N 495.697 2.257 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1508084694 AGOQHCVYSLINEV-OAQYLSRUSA-N 467.549 2.029 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(c2nccnc2C)CC1 1508092321 PFGPRYMUFPTKJH-UHFFFAOYSA-N 476.585 2.201 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCC(C(N)=O)(c3ccccc3)CC2)nnc1C(C)(C)C 1508149896 YEYVNIASXDFYOZ-UHFFFAOYSA-N 459.616 2.200 30 10 JEEE Cn1nc(-c2nnc(N3CCC(C#N)CC3)n2CCNC(=O)C(C)(C)C)c2ccccc2c1=O 1517420048 AADNTZUDQAOYDV-UHFFFAOYSA-N 462.558 2.094 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(=O)NC1CCCCC1 1538976287 JUGAVJNLCKCYMO-MRXNPFEDSA-N 471.631 2.453 30 10 JEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1539132602 OGKVHCJGKPXMFO-OALUTQOASA-N 456.616 2.230 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CC[S@](=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1539211746 KQXPVTQUJMFAHD-DFYVNMARSA-N 484.047 2.167 30 10 JEEE C#CCN1CCN(c2nnc(C(C)(C)C)n2C[C@@H]2C[C@H]3COC[C@H]3N2C(=O)OC(C)(C)C)CC1 1539428161 NKTISLQPIHALKR-SLFFLAALSA-N 472.634 2.355 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCn2cc(Br)cn2)CC1 1539482806 WTPMOFNRHNPDNV-SFHVURJKSA-N 490.406 2.145 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](c2cccs2)N(C)C)CC1 1539847195 BHLHLNCEUCYMPW-QZTJIDSGSA-N 480.660 2.132 30 10 JEEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2c(F)cccc2OC)CC1 1539981847 JOMJNKDARSKHNN-MRXNPFEDSA-N 466.583 2.329 30 10 JEEE C#CC[C@]1(C(=O)NCC[C@@](O)(c2nccn2C)C(F)(F)F)CCCN1C(=O)OC(C)(C)C 1545043017 MIUUJBDFIPOXPI-WOJBJXKFSA-N 458.481 2.469 30 10 JEEE CCO[C@]1(c2nnc(N3CCCN(Cc4ccc(C#N)cc4)CC3)n2CC(=O)NC(C)C)CCOC1 1547908739 BXUJULVPFSDGNE-AREMUKBSSA-N 495.628 2.039 30 10 JEEE CN(Cc1ccc(C#N)cc1)c1nnc(C(C)(C)C)n1CCS(=O)(=O)N1CCSCC1 1554149097 DGTVAHFZDUZPDW-UHFFFAOYSA-N 462.645 2.462 30 10 JEEE COCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2nc(C)cs2)CC1 1555524146 CQMQDBYDIZEFGM-UHFFFAOYSA-N 466.615 2.487 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(Cc2cccnc2)n1C[C@]1(O)CCO[C@H]1C 1555545408 DLLXBFQQXDWUJS-UQBPGWFLSA-N 462.554 2.328 30 10 JEEE COCCN(CCC#N)c1nnc(-c2cc(Br)c[nH]2)n1C[C@]1(O)CCSC1 1555555362 AMYJDLMTYLFJCM-QGZVFWFLSA-N 455.382 2.270 30 10 JEEE COC(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)OC 1565537394 XWFDREYZNGAQBP-POKVMEDUSA-N 491.625 2.389 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CCNc1ncc(Cl)cc1Cl 1588638052 NTLDWVAXEXPENA-HNNXBMFYSA-N 452.346 2.129 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccccc2OC2CCCC2)CC1 1588742264 POVNWKUGYUYIRJ-LJQANCHMSA-N 486.642 2.013 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2c(F)ccc(F)c2C1 1589069040 IAQRYBUETQYSGX-CQSZACIVSA-N 452.552 2.388 30 10 JEEE C=C(C)COCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1593717506 GRTXWOGGDKHQQR-QFIPXVFZSA-N 468.602 2.289 30 10 JEEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1594783977 NGSVPZPLLDXSHA-QGZVFWFLSA-N 450.584 2.455 30 10 JEEE C=CCCOCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@@](C)(C(=O)NC)C1 1594788370 LISCBLSNNDRYSH-HSZRJFAPSA-N 489.646 2.102 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCCS1(=O)=O 1595133421 GMHQJZJZRATWFA-RTBURBONSA-N 496.630 2.479 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1595490109 MFVJHNULWPLVHX-OAHLLOKOSA-N 487.406 2.151 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N(C)C1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 1595545293 USYLFHZDPHKGRB-HTUJPFKRSA-N 474.606 2.451 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1595556713 ZQDAQHUDYIYEIB-UHFFFAOYSA-N 483.020 2.270 30 10 JEEE CNS(=O)(=O)c1cccc(Cn2c(-c3cccnc3)nnc2N2CCC[C@@](C)(C#N)C2)c1 1618837820 CMURXMQSGPRTBO-QFIPXVFZSA-N 451.556 2.427 30 10 JEEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N(CCO)Cc1cnn(Cc2ccccc2)c1 1630855454 DZAZZZJAUPWSAB-UHFFFAOYSA-N 457.538 2.416 30 10 JEEE C=C(C)CN1CCC(NC(=O)N2CC[C@H](N3C(=O)O[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]43)C2)CC1 1668488449 OKRUKSNFVPJZRO-ZCNNSNEGSA-N 477.606 2.251 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H](C)N1CCN(CC)CC1 1689825803 CYKICBWCWBLTFM-RBUKOAKNSA-N 472.037 2.345 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CCN/C(O)=C1/N=CC=CC1=O 1689833482 KPMXVUHELUKBDN-MHMQGTJDSA-N 458.320 2.020 30 10 JEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C1CCN(C(=O)c2ccccc2)CC1 1689874905 DWBHOBILIHYGJD-IBGZPJMESA-N 486.642 2.433 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@H]1CCC(=O)N1)[C@H]1CCS(=O)(=O)C1 1689983437 BOIBMWDIJHQQIM-CABCVRRESA-N 482.393 2.157 30 10 JEEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1Cc1cscc1C)[C@@H]1CCS(=O)(=O)C1 1689995979 BSLLEFQHJTVYGI-QGZVFWFLSA-N 489.648 2.315 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OC(F)F)c(F)c1 1690032530 DEBZITRTJGWOJT-AWEZNQCLSA-N 469.489 2.140 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(F)ccc2Br)n1C[C@]1(O)CCO[C@@H]1C 1690095490 RRTPZFJRPUQJFQ-JLTOFOAXSA-N 467.339 2.473 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2Cc2cccc(CS(C)(=O)=O)c2)CC1 1690136838 KGGTZJMCZJPLLG-UHFFFAOYSA-N 471.627 2.134 30 10 JEEE C#CCSCCn1c(N2CCOC3(CCOCC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1690186656 SNQOUASPDUGELP-QFIPXVFZSA-N 450.605 2.071 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1690251480 VSIXCORVRUPUCP-WIRSXHRWSA-N 475.615 2.491 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCCS1(=O)=O 1690565958 YSRLXBKXRHTFSV-VQTJNVASSA-N 478.640 2.340 30 10 JEEE CCCNC(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1695424369 HYSOHMSGOCAKIP-UHFFFAOYSA-N 474.569 2.463 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OCC(C)C)cc1 1705495555 RMKGMMHPRCCDOH-WIYYLYMNSA-N 475.615 2.152 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@]1(N(C)C)CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1705566853 REYCQCGZYQSPJT-MSYCTHLASA-N 458.632 2.410 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccccc2Br)n1C[C@H]1CCS(=O)(=O)C1 1705625075 VTGXOFLGNLWBDW-OAHLLOKOSA-N 467.389 2.228 30 10 JEEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2CC[C@H](C(F)F)N2CCOCC2)CC1 1705640301 MTHSLEXOIRNNAQ-OAQYLSRUSA-N 494.537 2.258 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccc([C@H](C)O)cc2)CC1 1705644605 WTQQYHOGQBNJKA-SFHVURJKSA-N 480.613 2.264 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](C)Oc2ccccc2OC)CC1 1705648302 QFKPTNTVQBRLSV-UYAOXDASSA-N 467.570 2.224 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CC(C)(C)N2C[C@@H](C)O[C@H](C)C2)CC1 1705648957 FFTIBFLEUIPOHI-WOJBJXKFSA-N 481.645 2.137 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1705717668 PDWWTXDBGLPPCA-QUCCMNQESA-N 474.631 2.251 30 10 JEEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCCN(c2nccc(OCC)n2)CC1 1705736793 CPLVCMUILOPLPB-IBGZPJMESA-N 457.579 2.280 30 10 JEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C(=O)N(C)c2ccccc2)C1 1705811270 BSIPHRCWRKKLAB-ZWKOTPCHSA-N 460.604 2.344 30 10 JEEE C=CCCOCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCO[C@@H](C(=O)NC)C1 1705826702 GSOOHBIOCRCOSN-OAQYLSRUSA-N 450.543 2.346 30 10 JEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1705890738 FRSCSJIEBMBBJE-IBGZPJMESA-N 498.584 2.441 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1705938317 VFBYQZJPMXBBCB-QGZVFWFLSA-N 474.562 2.324 30 10 JEEE C[C@H](CC#N)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1706743654 DDTBGPDKQFZPAM-IAGOWNOFSA-N 468.587 2.355 30 10 JEEE C[C@H](CC#N)N(C)c1nnc(COc2ccccc2F)n1CCS(=O)(=O)N1CCSCC1 1706751058 FEUOKQXGOAUATK-MRXNPFEDSA-N 482.607 2.113 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)N[C@H](C)c1ccccc1 1722296475 QKJCSDWSPXOMHT-ZVDOUQERSA-N 488.658 2.198 30 10 JEEE C#CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCCN(C)S(=O)(=O)CC 1722353536 XCDIBMLKUGDOGK-UHFFFAOYSA-N 482.651 2.134 30 10 JEEE C#CCN(c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCn1cncn1)[C@H]1CCS(=O)(=O)C1 1722358347 APNNHWYVUWVWLW-FQEVSTJZSA-N 467.599 2.161 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCN(CC)C1CC1)[C@H]1CCS(=O)(=O)C1 1722360548 UZYKCGSZFALRAA-KRWDZBQOSA-N 495.447 2.147 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1CN(CC(C)C)CCO1 1722370121 GRCPABKXPHISDZ-QFIPXVFZSA-N 483.016 2.291 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1Cc1cnn(CCOC)c1 1722396259 WHLZBRMHXIXEFJ-UHFFFAOYSA-N 454.538 2.485 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@@H](C)N2CCN(CC)CC2)CC1 1722434362 OWLVQWHDJZRUQW-HXUWFJFHSA-N 486.064 2.388 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2CC(=O)N(C)C)CC1 1722449374 IPTSQINZRQCHAJ-UHFFFAOYSA-N 480.613 2.343 30 10 JEEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1722604310 XOGDJDDKUGTWFZ-SFHVURJKSA-N 473.599 2.205 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC(NC(C)C)CC1 1722690567 LKHWOGGBKBJCDY-UHFFFAOYSA-N 474.009 2.131 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2cc3ccccc3[nH]2)C1 1722709866 AQTUXPNPWTZPEU-LPHOPBHVSA-N 458.588 2.394 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CCCN(C(=O)C2CC2)CC1 1722731423 KIFONPCNWZWZJI-UHFFFAOYSA-N 487.626 2.215 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCS(C)(=O)=O 1723778317 GACBVUNAXKCFMO-HOTGVXAUSA-N 454.597 2.176 30 10 JEEE CCS(=O)(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1Cc1ncccc1N(C)C 1729195496 DBOGBHLQZLFWRJ-UHFFFAOYSA-N 453.572 2.197 30 10 JEEE CO[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2C#N)CC1)C(C)(C)C 1729879328 GMDNCHLJOUEJMB-ICSRJNTNSA-N 451.575 2.489 30 10 JEEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(N(C)C)nc2)C[C@H]1C 1730798559 AUVAVDLDPYROGT-HXUWFJFHSA-N 490.612 2.395 30 10 JEEE C#CCCCn1c(N2CCCN(Cc3noc(C)n3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1740596367 CLEXFGOLNXWAEK-HSZRJFAPSA-N 457.579 2.136 30 10 JEEE C#CCN(CC#CC)c1nnc(Cc2ccccn2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1740655098 XVCOQRAUWPNLES-RUZDIDTESA-N 454.578 2.342 30 10 JEEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(C)(C)N1CCC(OC)CC1 1740665432 BPZJAHPKIVCGAX-UHFFFAOYSA-N 463.590 2.270 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCn2ccnc2C1 1740677282 HXPXZQDSMSUXMM-HKUYNNGSSA-N 485.589 2.126 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccn3)n2C[C@H]2CC(F)(F)CO2)n1 1740689120 PDSCKBINPFRUGY-GOSISDBHSA-N 457.485 2.247 30 10 JEEE C=CCCCn1c(N2CCN([C@H](C)C(=O)N3CCCC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1740882061 YZVUVBBEAHXFNO-BWKNWUBXSA-N 474.650 2.418 30 10 JEEE C=CCOc1ccccc1Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](CNC(C)=O)C1 1740971767 WNIPZVXEBYWXGV-QFIPXVFZSA-N 479.585 2.094 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1740985310 PLYASSPCTQLQMQ-CTNGQTDRSA-N 475.615 2.371 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN([C@H](C)c2nccs2)CC1 1740989576 RLQDQIASFMSILY-QGZVFWFLSA-N 475.644 2.224 30 10 JEEE C=CCSCCn1c(-c2ccccn2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1740999645 LXMLTRSKSZRSOW-UHFFFAOYSA-N 450.572 2.080 30 10 JEEE Cc1cccc([C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CC[C@@](F)(C#N)C2)N2CCOCC2)c1 1742303676 AAXKMEKNLZRFHW-HYBUGGRVSA-N 469.565 2.240 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C(C)(F)F)c1 1748672074 QCIOHHWERZJVBU-CRAIPNDOSA-N 467.542 2.229 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cc(Br)c[nH]3)n2Cc2cnnn2C)c1 1748691443 FOKWQLOFUJQJKZ-UHFFFAOYSA-N 494.357 2.269 30 10 JEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC[C@H](C(F)F)N1CCOCC1 1748789442 JWPRUIDYWRNEFK-MSOLQXFVSA-N 498.575 2.012 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CCSCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1748819378 NXXSYMLLSZHAMX-INIZCTEOSA-N 473.546 2.186 30 10 JEEE C#CCN(c1nnc(CC2CCCC2)n1CCNC(=O)c1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1748820854 IZJHDFAPCYJWEP-QFIPXVFZSA-N 483.638 2.376 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H](C(C)C)N1CCOCC1 1748831334 LEKPFDIHQSCHLT-HSZRJFAPSA-N 451.571 2.392 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCNC(=O)c2occc2C)CC1 1748984668 PESIHAMMXJCLFS-UHFFFAOYSA-N 457.538 2.294 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H](c2cccc(OC)c2)N(C)C)CC1 1748989710 BZYSPPQZQWURDF-JTHBVZDNSA-N 452.603 2.239 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](C)Cc2cccs2)CC1 1749015897 RFLJUMXDAXARDA-GOSISDBHSA-N 468.627 2.307 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CCCN2CCN(CC)CC2)CC1 1749016627 HXUNOZZFPAMCNX-UHFFFAOYSA-N 495.647 2.001 30 10 JEEE C=CCC(C)(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1749355145 BMNHZQSRIMTNQK-KRWDZBQOSA-N 474.631 2.465 30 10 JEEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1749630233 QRTFOLQNLWORIT-WZONZLPQSA-N 473.578 2.258 30 10 JEEE C=CCNC(=O)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCS[C@H](C)[C@H]1C 1749676731 BDCDOZKJSZNEJB-NHCUHLMSSA-N 483.686 2.275 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@H](COC)C1 1749725214 PJYNFIVQGKFDBO-AWEZNQCLSA-N 472.409 2.120 30 10 JEEE C[C@H](CC#N)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@]1(O)CCC[C@H]1C 1751091350 HIHVUUVFLKSGHU-YVHKJVDXSA-N 460.604 2.485 30 10 JEEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCc2ccccn2)cc1 1760175913 VDMCZSLXVOJRAW-IBGZPJMESA-N 451.552 2.272 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1CCc1noc(CC)n1)[C@H]1CCS(=O)(=O)C1 1760184208 GVJRSMWJNWSOSC-KRWDZBQOSA-N 454.556 2.068 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1CCCCNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1760185903 GTPJULQHAKNNDB-SFHVURJKSA-N 467.636 2.408 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCS(=O)(=O)CC=C 1760219228 YEIXBBZATFBVOZ-FQEVSTJZSA-N 489.642 2.456 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CC(C)(C)NC(=O)OC(C)(C)C)CC1 1760269991 RFRHQQPZLUEHES-IBGZPJMESA-N 488.633 2.441 30 10 JEEE C#CCSCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1760277095 ZYQXLGDANYVOEN-UHFFFAOYSA-N 458.975 2.486 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCSc1nccs1 1760295104 NCPJILOYQJKCEJ-OXJNMPFZSA-N 496.684 2.242 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1760314626 YKBOYZRMCATUAJ-CEXJFXJFSA-N 460.579 2.209 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)N1CCc2ccccc21 1760338127 YPDJZLRIIGONQG-UGKGYDQZSA-N 488.658 2.465 30 10 JEEE C=C(C)COCCn1c(-c2ccccc2OC)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1760354569 GRKPWWHJEQUJMG-DEOSSOPVSA-N 468.558 2.361 30 10 JEEE C=CCCCn1c(-c2noc3c2COCC3)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1760437921 SRMVNEAUVWEQJD-IAGOWNOFSA-N 458.563 2.340 30 10 JEEE C=CCCOCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1760450226 GQRKWVVYIBPFRP-IBGZPJMESA-N 454.579 2.005 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@H](C)O[C@H](CC)C1 1760515101 KWQAIOKZMZUKQY-DZGCQCFKSA-N 451.369 2.352 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 1760522206 NVIKSVDTVDMQME-FUHWJXTLSA-N 463.485 2.264 30 10 JEEE C=CCNC(=O)Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCN(C)C(=O)[C@H]1C 1760527478 YIGLJZLABLEBDH-QGZVFWFLSA-N 474.993 2.221 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC[C@@H](c3noc(C(C)C)n3)C2)nnc1[C@@]1(OCC)CCOC1 1760528853 OQNDYFIOKSOZFE-UZUQRXQVSA-N 473.578 2.123 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](NC(=O)CCC)C1 1760553358 AYMSRBJNRXGNLX-SFHVURJKSA-N 460.604 2.134 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1760556490 FQQQAMVWKRCZRZ-CQSZACIVSA-N 450.508 2.299 30 10 JEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N(C)[C@H]1CCCN(c2ccccc2)C1 1760557117 APFSRIIWKQLWFV-NRFANRHFSA-N 486.642 2.107 30 10 JEEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCC(O)(c2c(F)cccc2F)CC1 1760558123 GTUJRWQDJXANPY-UHFFFAOYSA-N 470.542 2.182 30 10 JEEE CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@](C)(O)c2ccsc2)CCO1 1760666363 FBAMTTSMVLJABE-NFBKMPQASA-N 466.567 2.127 30 10 JEEE CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@](C)(O)c2ccsc2)CCO1 1760666366 FBAMTTSMVLJABE-REWPJTCUSA-N 466.567 2.127 30 10 JEEE CC(C)(C)[S@@](=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1760804594 HOBLPQKZFPGMSZ-YTTGMZPUSA-N 452.588 2.414 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCNC(=O)OC(C)(C)C 1761234864 DHABMYOWHBLFFV-UHFFFAOYSA-N 482.589 2.139 30 10 JEEE Cc1ccc(OCc2nnc(N(C)C[C@@H](C)C#N)n2CCS(=O)(=O)N2CCSCC2)cc1 1761819526 CTQTWICHKRMHLD-SFHVURJKSA-N 478.644 2.140 30 10 JEEE Cc1cnn(C[C@@H]2CN(c3nnc(COc4ccc(C#N)cc4)n3CCN(C)C(C)C)CCO2)c1 1762187538 AMPZSSSJPPWROY-QHCPKHFHSA-N 478.601 2.479 30 10 JEEE Cc1csc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](c3cccc(C#N)c3)C2)n1 1762232930 CKPKJXNRAJHMSE-CRAIPNDOSA-N 487.611 2.151 30 10 JEEE CCOC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(C)n(C)c2=O)CC1 1767278459 HADRKHFHALDBLB-UHFFFAOYSA-N 461.526 2.151 30 10 JEEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cnccc2OC)CCO1 1770959992 BRKYQTHOKGKGBC-FQEVSTJZSA-N 450.499 2.032 30 10 JEEE C=CCNC(=O)[C@@](C)(CC)NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccc3c(c1)OCO3)C2=O 1861507305 FWBGWJXKYBEKMH-RUZDIDTESA-N 463.490 2.412 30 10 JEEE CCCCCCCCNC(=O)[C@@H]1C[C@H](O)CN1C(=O)c1ccc2c(c1)C(=O)N(CCCOC)C2=O 1861516504 JSXOIALEUVWBFN-UGKGYDQZSA-N 487.597 2.371 30 10 JEEE COc1cc([C@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2CCCNC=O)ccc1O 1862644896 VXMUQWRNLQNVIR-FQEVSTJZSA-N 458.442 2.263 30 10 JEEE C=CCN(CC=C)c1nc(NC(=O)CCc2ccc(OC)cc2)n([C@H]2CCS(=O)(=O)C2)n1 1870004924 PTKLXRIFYKGZNR-SFHVURJKSA-N 459.572 2.396 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)N2CCOCC2)cn1Cc1ccccc1F 1870584141 OWEKAQMOBNZAAT-UHFFFAOYSA-N 455.530 2.447 30 10 JEEE C=CCN(CC=C)c1nc(=NCCCn2ccnc2)[nH]c(=Nc2cc(OC)c(OC)c(OC)c2)[nH]1 1871564960 IUAFNDUXZCFLPN-UHFFFAOYSA-N 480.573 2.362 30 10 JEEE C=CCOc1ccccc1OCC(=O)NCCNC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 1873696109 RWLOEONEPRTWAU-QGZVFWFLSA-N 455.486 2.055 30 10 JEEE CC(=O)NCc1nnc(SCC(=O)Nc2ccc(C)cc2)n1/N=C/c1ccc(O)c([N+](=O)[O-])c1 1874431047 BWHOXYODDPPQDZ-AUEPDCJTSA-N 483.510 2.449 30 10 JEEE COc1ccc2nnc(CNC(=O)C3CCN(c4oc(-c5cccs5)nc4C#N)CC3)n2n1 1891796844 DENAHQVXPDZMPE-UHFFFAOYSA-N 464.511 2.254 30 10 JEEE CC(C)N1C(=O)CS[C@H](C(=O)N[C@@H]2CCN(C3CCOCC3)C2)[C@@H]1c1ccc(C#N)cc1 1891926029 QREBUTLBZLAZGY-OIBXWCBGSA-N 456.612 2.321 30 10 JEEE N#Cc1cccnc1N1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Cl)s3)C2)CC1 1892188724 XOCKCLSSODVYSV-INIZCTEOSA-N 480.015 2.418 30 10 JEEE C#CCn1ncc(Cl)c(NC(CNC(=O)OC(C)(C)C)CNC(=O)OC(C)(C)C)c1=O 1999031217 AOZIQIPGMGMFCL-UHFFFAOYSA-N 455.943 2.360 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2126936895 GIGSHJBPCSANIB-JOCHJYFZSA-N 450.316 2.435 30 10 JEEE COC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2247951555 ITWLEPJEVZWTPL-UHFFFAOYSA-N 451.375 2.411 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2255880127 ZWKOSQCJAXMTNP-ZIAGYGMSSA-N 452.382 2.005 30 10 JEEE C=C(CS(=O)(=O)N(C)[C@]1(CNC(=O)OC(C)(C)C)CCOC1)B1OC(C)(C)C(C)(C)O1 2255956126 YYMZAFBBFHWKBJ-FQEVSTJZSA-N 460.402 2.119 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](NC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)CCO1 2267162038 KKEHWHVKIDBQNJ-KGLIPLIRSA-N 467.397 2.244 30 10 JEEE COC[C@]1(NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)CCN(C(=O)OC(C)(C)C)C1 2267197796 ONZIYELNUUUBBI-QFIPXVFZSA-N 450.341 2.335 30 10 JEEE C[C@H]1CN(S(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)C[C@H]1NC(=O)OC(C)(C)C 2267474220 QUCILGMWGYONAG-UONOGXRCSA-N 487.453 2.117 30 10 JEEE Cc1c(C(=O)NCCC[C@H](C)NC(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2267502207 KJWMODPLOBWRLE-AWEZNQCLSA-N 450.389 2.451 30 10 JEEE Cc1nn(C)c(C(=O)NC[C@@H](C)CN(C)C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267523135 XTGKUILCZWWAIN-CQSZACIVSA-N 450.389 2.261 30 10 JEEE C[C@H]1CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)CC[C@@H]1NC(=O)C(F)(F)F 2267714755 ZZFSPUKEJJVBJN-RYUDHWBXSA-N 482.355 2.125 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2CCN([C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)C1 2281224300 XANFAEFGMURRKD-CSKUQDPHSA-N 476.618 2.447 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@H](COc3cccc(B4OC(C)(C)C(C)(C)O4)n3)O[C@H]2C1 2281458407 PMISZVWRDRUWSX-IKGGRYGDSA-N 462.352 2.163 30 10 JEEE Cc1nn(C)c(C(=O)N[C@@H]2[C@@H]3CCCN(C(=O)OC(C)(C)C)[C@@H]32)c1B1OC(C)(C)C(C)(C)O1 2281982306 MEDBCHSJDBOIET-UAGQMJEPSA-N 460.384 2.155 30 10 JEEE CC1(C)OB(c2ccoc2C(=O)N2C[C@H](CNC(=O)C(F)(F)F)C3(CCC3)C2)OC1(C)C 2282046903 RFJBCGDOPOWTRU-ZDUSSCGKSA-N 456.270 2.500 30 10 JEEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282303458 XEYLKUYVDQHYSJ-CRAIPNDOSA-N 481.424 2.305 30 10 JEEE C[C@H]1C[C@H](N(C)S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)nn2C)CN1Cc1ccccc1 2282343334 DPLBLZLMQVHCPW-HKUYNNGSSA-N 474.436 2.003 30 10 JEEE CCn1cc(C(=O)N[C@H](CNC(=O)OC(C)(C)C)C(F)(F)F)nc1B1OC(C)(C)C(C)(C)O1 2282541223 VBODGENXYMZUMN-CYBMUJFWSA-N 476.305 2.388 30 10 JEEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2282694953 KDBOAYUMZCWNDY-YQQQUEKLSA-N 451.380 2.040 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@]2(NC(=O)c3nccnc3B3OC(C)(C)C(C)(C)O3)CCC[C@@H]12 2283057876 ABXUKDIYEDARIG-CMJOXMDJSA-N 458.368 2.438 30 10 JEEE CO[C@H](C)[C@@H](CC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)c(C)n1)NC(=O)OC(C)(C)C 2283982144 UNYULDOETGWBHV-GDBMZVCRSA-N 464.372 2.341 30 10 JEEE CC(C)(C)OC(=O)NCCc1n[nH]cc1C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2284047969 LAVQEILQAAZHOL-UHFFFAOYSA-N 457.340 2.423 30 10 JEEE CCO[C@@H]1CN(C(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)C[C@H]1CNC(=O)OC(C)(C)C 2359263557 WWFGTPFRFZKUFU-GDBMZVCRSA-N 481.424 2.444 30 10 JEEE Cn1nc(C(=O)N2C[C@@H]3C[C@H]2C[C@H](NC(=O)OC(C)(C)C)C3)cc1B1OC(C)(C)C(C)(C)O1 2359279280 YBBWSKFIPDZOEK-XHSDSOJGSA-N 460.384 2.237 30 10 JEEE COCCSc1nnc(NC(=O)CSc2n[nH]c(N/N=C/c3ccc(C)o3)n2)s1 21080890 DRUSNWUOKZOTNP-FRKPEAEDSA-N 454.563 2.473 30 10 JEEE C#CCNC(=O)CN1CCN(C(=O)[C@@H](CC(C)C)NC(=O)c2ccc(Cl)cc2Cl)CC1 728608651 MRLABFQJKAOONZ-LJQANCHMSA-N 467.397 2.032 30 10 JEEE Cc1nn(CCO)c(C)c1C=NNc1nc(SCC(=O)Nc2ccc(F)c(F)c2)n[nH]1 1084062169 WZNAJAUXKYTFRP-UHFFFAOYSA-N 450.475 2.065 30 10 JEEE COc1cc(C=NNc2nc(SCC(=O)NCc3nnc(C(C)C)o3)n[nH]2)cc(OC)c1OC 1084579253 KUSSIRCNGWEZRX-UHFFFAOYSA-N 490.546 2.191 30 10 JEEE C#CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1C[C@H](C)O[C@@H](COC)C1 1286349461 XKFFZMCRBYNRAV-ZWKOTPCHSA-N 450.543 2.328 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1CCCN1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1286388154 YWLJSMASTFIGOV-HXUWFJFHSA-N 456.616 2.089 30 10 JEEE C#CCN(c1nnc(C2CC2)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1286388846 BZFNCRVXKLNHKI-MSOLQXFVSA-N 465.620 2.332 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1Cc1nc(C)c(C)s1)[C@H]1CCS(=O)(=O)C1 1286395224 LWWSMNYUERVYFY-IBGZPJMESA-N 496.618 2.477 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1286411528 XKZOPDLWMPMJEP-HSZRJFAPSA-N 460.607 2.322 30 10 JEEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(C(F)(F)F)cc1 1286457722 ULVRCHRIIBMTGX-AWEZNQCLSA-N 459.494 2.041 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2Cc2cnn(C)c2C)CC1 1286492787 PQQZZXABZHFRIX-UHFFFAOYSA-N 461.570 2.222 30 10 JEEE C#CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@@H](CCOC)C1 1286504707 VMYCRVSRQLGMSC-KRWDZBQOSA-N 462.645 2.467 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CN2CCC(C)CC2)C1 1286509290 OMKVBIKJXUGXEY-LEWJYISDSA-N 479.716 2.495 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(CC(=O)Nc2ccccc2CC)CC1 1286787670 IAMKRVZULRCGQT-QFIPXVFZSA-N 495.628 2.145 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Br)nnc1N1CCCN(CC)C(=O)C1 1286815942 CTMKSPNLRPEYFI-UHFFFAOYSA-N 496.431 2.367 30 10 JEEE CC(=O)N1CCN([C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3C[C@](C)(O)C(C)C)C[C@H]2C)CC1 1286886066 ANHTZXVAXUSODK-RTGAMMJTSA-N 479.629 2.213 30 10 JEEE CC(C)C[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCc1ccccc1 1293579893 HAFPNHKFJNGFIC-UTKZUKDTSA-N 457.552 2.499 30 10 JEEE CCCCN(C)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2C#N)CC1 1294223468 FTDLJNOSBYXCBI-HXUWFJFHSA-N 450.591 2.159 30 10 JEEE CN(C)C(=O)COc1cccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCC[C@](C)(C#N)C2)c1 1298016759 BOCZDIXMJNHESZ-RUZDIDTESA-N 479.585 2.159 30 10 JEEE COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CCCC2)CC1 1299433613 HWPMBXNZGGCEDM-UHFFFAOYSA-N 472.571 2.063 30 10 JEEE CO[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1)C(C)C 1299714248 BZYWOQGMLQXOJS-GOTSBHOMSA-N 495.628 2.143 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCCN1CCC(O)CC1 1300270776 FEIZAJGTLUYEPF-QGZVFWFLSA-N 458.994 2.166 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CCCC3)n2CCNC(=O)c2cc[nH]n2)c1 1300332746 MQHICAXWILYDMY-UHFFFAOYSA-N 460.542 2.145 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1CCN1CCCC[C@H]1CC)[C@@H]1CCS(=O)(=O)C1 1300487940 NOAXUQKJYNBJOT-WOJBJXKFSA-N 458.632 2.175 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCCOC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1300488189 BMTDUAHONUBOOV-GOSISDBHSA-N 462.572 2.059 30 10 JEEE C#CCN(c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCOC)[C@@H]1CCS(=O)(=O)C1 1300496960 WTNXPFLZECIYIH-RBUKOAKNSA-N 495.646 2.056 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1Cc1nccs1)[C@@H]1CCS(=O)(=O)C1 1300498329 JETACLVHRHBJLJ-CQSZACIVSA-N 463.535 2.279 30 10 JEEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CC(F)(F)CNC(=O)OC(C)(C)C 1300528141 QRKIBGYEKXCCSH-UHFFFAOYSA-N 476.484 2.239 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCCNC(=O)C(C)C)CC1 1300688260 CXJWATDBPWHAKP-UHFFFAOYSA-N 460.529 2.464 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H](C)Cc2ccc(OC)c(OC)c2)CC1 1300700758 VPJFFHUTZQHCAQ-TZIWHRDSSA-N 453.587 2.433 30 10 JEEE C=C(Br)Cn1c(N2CCO[C@@]3(CCOC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1300862698 CGSNYYLFKFZDGV-RBUKOAKNSA-N 457.369 2.223 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1300870987 AUBBLSDSUPUQOJ-NRSPTQNISA-N 482.585 2.080 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC([C@@H]2CCOC2)CC1 1301152532 ZNHVOAJLHDHORW-UXHICEINSA-N 481.663 2.466 30 10 JEEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1301502824 PVVWUHNJXLHYFK-UHFFFAOYSA-N 498.494 2.079 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1301578405 ZZSFKDBPEHDYTI-GOSISDBHSA-N 475.615 2.296 30 10 JEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 1301611754 HBXNGEGUZDTKHZ-SJORKVTESA-N 485.676 2.450 30 10 JEEE CC(=O)N1CCCN([C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCCCCO)C[C@@H]2C)CC1 1301710591 ZKGHBDFBTAKRMT-RDPSFJRHSA-N 479.629 2.358 30 10 JEEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(C(C)(C)C)n1CCCN1C[C@@H](C)O[C@H](C)C1 1305220881 HIPCAHDQWFJZLO-XUVXKRRUSA-N 481.649 2.452 30 10 JEEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN2CCS(=O)(=O)C[C@@H]2C2CC2)cc1 1307776986 CUPSSHYVGLRFLX-OAQYLSRUSA-N 456.568 2.422 30 10 JEEE N#C[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCC(=O)N2CCOCC2)CCO1 1316538087 GSVRTFBONMZMDX-OAHLLOKOSA-N 465.341 2.230 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3OCC[C@H]3COC)n2CC2(C)COC2)c1 1358904007 QTBZOLBAXSHONA-RXVVDRJESA-N 453.543 2.095 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1CCNC(=O)c1ccc(C)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1358955972 XWINHWIJUJYNIO-GOSISDBHSA-N 475.590 2.080 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(C(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 1358957227 RICHWJOOFPDBDU-XXBNENTESA-N 464.632 2.382 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1CCN(CC)CCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1358960288 AYLPOADXMYUQMB-KRWDZBQOSA-N 486.564 2.185 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1CC(F)(F)Br)[C@@H]1CCS(=O)(=O)C1 1358964382 YHDHOCKOKDPXKD-GFCCVEGCSA-N 453.353 2.481 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCOCCCO 1358993251 IYAOMVRQIRUBRH-HXUWFJFHSA-N 459.591 2.255 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cnn(C)c1C 1358994087 DSOGAIMSTUCWAJ-FQEVSTJZSA-N 467.574 2.140 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(C)nc3ccccc23)n1Cc1ccc(C(N)=O)nc1 1359019441 VKLXRYOQRKNLOO-UHFFFAOYSA-N 455.522 2.430 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1359090310 YOIDIODNALDPHB-NTDBWNAOSA-N 476.603 2.164 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(S(C)(=O)=O)CC1 1359095455 OJOQHWPVKDMVHV-SJLPKXTDSA-N 466.995 2.056 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(N(C)C(C)=O)CC1 1359106520 GXGTUNBHSBRZQP-WAGURGNTSA-N 461.607 2.430 30 10 JEEE C=C(Cn1c([C@H](C)OCCOC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1)c1ccccc1 1359137775 ANEQOUKLKQUWAG-ICSRJNTNSA-N 468.558 2.188 30 10 JEEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(O)(Cc2ccc(F)cc2)CC1 1359142430 HSNYPUFOKIBILT-OAHLLOKOSA-N 471.986 2.354 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 1359297687 YRAJQKRCQOPBKF-SFHVURJKSA-N 460.542 2.201 30 10 JEEE CC#CCN(C)C(=O)c1n[nH]c(C2CN(C(=O)OC(C)(C)C)C2)c1I 1450469070 OWUXNUCUAVZLGL-UHFFFAOYSA-N 458.300 2.444 30 10 JEEE CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)N2CCN(c3ccccc3C#N)CC2)cc1 1459409820 CIWCRQSXAAPMIP-GOSISDBHSA-N 455.584 2.394 30 10 JEEE CC(C)(C)OC(=O)NCC1(O)CCN(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC1 1473563373 BQXIMRZSBCYLMI-UHFFFAOYSA-N 454.531 2.034 30 10 JEEE Cc1ccc(NC(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)cc1S(N)(=O)=O 1476201227 HJUHWQVKENBQDO-UHFFFAOYSA-N 450.524 2.416 30 10 JEEE CCCN1CC[C@@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2cccc(C#N)c2)C1 1500938112 BSTJUDDRHMFXPU-RTWAWAEBSA-N 456.616 2.420 30 10 JEEE C#CCCCn1c(N2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)nnc1[C@@]1(OCC)CCOC1 1507599214 LUUXJMQAZZVRCB-NZQKXSOJSA-N 479.647 2.174 30 10 JEEE C#CCN(c1nnc(C)n1C[C@H](c1ccccc1OC)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1507625990 MDZOPYYHUJUHCR-TZIWHRDSSA-N 457.600 2.059 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@H]1CC[C@H](CO)O1)[C@H]1CCS(=O)(=O)C1 1507627551 KFKNCPWIJMXTPP-YESZJQIVSA-N 499.420 2.419 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCN1CCCC[C@@H]1CC)[C@H]1CCS(=O)(=O)C1 1507633032 RFANYNVMYRDSEU-ACRUOGEOSA-N 463.648 2.411 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H](C)Oc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1507634544 YWCXUVLHJPPZOW-XUVXKRRUSA-N 458.584 2.266 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1CCNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1507635558 XEKKSSGFOXZVIG-MRXNPFEDSA-N 453.609 2.018 30 10 JEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCC(=O)Nc1ccccc1 1507648276 MQCPKZBXNOOVJR-UHFFFAOYSA-N 475.578 2.340 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(F)cc2Br)n1CCCn1cnnn1 1507707681 BTGIQFJNCWPZBL-UHFFFAOYSA-N 463.315 2.010 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCn2ccnc2C)CC1 1507733744 KQTBIADQIHHUJW-UHFFFAOYSA-N 488.596 2.318 30 10 JEEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 1507853068 GMIJLDXDKKXGQP-LSDHHAIUSA-N 477.031 2.382 30 10 JEEE C=C(Cn1c([C@@H](C)OCCOC)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1)c1ccccc1 1507853178 AQJBFBZKLNOHIP-RBUKOAKNSA-N 463.604 2.186 30 10 JEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1SCCc2ccccc21 1507983497 QNYTVPXGUAWZGB-RTBURBONSA-N 463.629 2.264 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(N(C)C)CCC[C@H](C)C1 1508020583 PLWHGISJMYFURW-SXWKCWPCSA-N 480.679 2.300 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@H](C(F)(F)F)C1 1508079470 XAUZEPHVPYNXOI-INIZCTEOSA-N 455.437 2.032 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC2([S@](C)=O)CC2)C1 1508122076 CEYKECINSPIQKT-MZDMPTQBSA-N 495.646 2.279 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1C[C@H](C)O[C@@H](CC)C1 1508141284 USEFCMXVIXRTGG-HOTGVXAUSA-N 472.571 2.198 30 10 JEEE C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)[C@H](C)CC#N)n1C[C@]1(O)CCS(=O)(=O)C1 1510255746 HRAUGQQVOWJKRX-QEEYODRMSA-N 467.979 2.359 30 10 JEEE CCOC[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N2CCOCC2)C1 1516638152 AKDMRWQOHCNJCQ-NRFANRHFSA-N 482.585 2.231 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@H](CCC)OC)c1 1539037041 AJZMKJZWACAARK-FQEVSTJZSA-N 452.559 2.385 30 10 JEEE C=C(Br)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@H](NC(C)=O)C1 1539595198 BQYUYTCANDFEIR-SFHVURJKSA-N 489.422 2.466 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCOC2(CCOCC2)C1 1539614739 BNXJLIOCMNRNDH-AQNXPRMDSA-N 450.580 2.369 30 10 JEEE C=C(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1539682078 GMSAACGENHWFID-SFHVURJKSA-N 451.531 2.196 30 10 JEEE C=CC[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1)c1ccccc1 1539938470 ABYIXWMANYUAJS-PZJWPPBQSA-N 486.642 2.449 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CCN(c2cccnn2)CC1 1540866875 DCOACAGVDGRRSG-UHFFFAOYSA-N 483.374 2.126 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC2(C)COC2)C1 1540892729 QTJMUZSQGOXFIS-QZTJIDSGSA-N 463.579 2.404 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@H](C)O[C@H](C)C1 1540900029 IZBPFONKDZKWNL-IYBDPMFKSA-N 450.561 2.177 30 10 JEEE C=CCSCCn1c(Cc2cccnc2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1540917730 CQLWVRWRKNZMQV-UHFFFAOYSA-N 469.659 2.318 30 10 JEEE CC[C@@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCC1(O)CCOCC1 1545545609 AKYASULBJGLSBV-QZTJIDSGSA-N 454.579 2.100 30 10 JEEE C=CCS(=O)(=O)CCNC(=O)[C@H]1Cc2cc(OC)c(OC)cc2N1C(=O)OC(C)(C)C 1546071694 LHQHOLXSNZPCSU-MRXNPFEDSA-N 454.545 2.087 30 10 JEEE CCCOc1ncccc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1547280074 CWLLDJKSKPSJHH-UHFFFAOYSA-N 488.596 2.259 30 10 JEEE CCOCc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CCC(=O)NC(C)(C)C 1548170544 AFCSBUGYJIENOD-UHFFFAOYSA-N 457.554 2.457 30 10 JEEE CN(C)C(=O)[C@H]1CCCN1CCCn1c(-c2ccc(C#N)cc2)nnc1N(C)CCn1cccn1 1552662065 GOYKBRUCUNZCFI-JOCHJYFZSA-N 475.601 2.092 30 10 JEEE COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCOc2ccccc21 1555557873 FLFUDSOWTPBZIE-ROUUACIJSA-N 459.572 2.113 30 10 JEEE C=C[C@@H](COC)NC(=O)N1CCCN(S(=O)(=O)c2ccc(Br)s2)CC1 1564617180 CVISTPUUGUOAJV-LBPRGKRZSA-N 452.396 2.118 30 10 JEEE CC(C)[C@H]1CN(Cc2ccccc2)CCN1C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1585097075 FKDSCZCYCYTHMX-OAQYLSRUSA-N 454.596 2.484 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(Br)ccc1OC 1587640852 VSLURWBUSGHDQF-KGLIPLIRSA-N 467.389 2.458 30 10 JEEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1CCc1ccn(C)n1)[C@@H]1CCS(=O)(=O)C1 1588035504 UKXJSPXFJBSTBT-FGZHOGPDSA-N 466.611 2.423 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H]2CCN(CC)C2)CC1 1588763432 XQGNMZMVDZAZBL-KRWDZBQOSA-N 460.424 2.143 30 10 JEEE C#CCN1CCN(c2nnc(CSc3ccccc3OC)n2C[C@@H](C)N2CCN(CC)CC2)CC1 1588876902 NHGXKUNIZIKNDV-JOCHJYFZSA-N 497.713 2.360 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1589493954 JOXFZHKNKVKTKY-IUBSTNSRSA-N 463.623 2.284 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC)cc2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1589503000 AYGKZOBSNLKVFS-TYPHKJRUSA-N 475.615 2.453 30 10 JEEE C=CC1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1594202212 HSVHGCZMQGDIGT-SFHVURJKSA-N 493.655 2.033 30 10 JEEE C=CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC1(N(C)C)CCOCC1 1594992687 OVTGKXWRQUPPPA-UHFFFAOYSA-N 467.662 2.376 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@](C)(O)C1CC1 1595302617 BTNNZRNDIOAPLC-JPYJTQIMSA-N 465.595 2.386 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CCC(S(C)(=O)=O)CC1 1595496980 MPSPMKKPXLHIJI-UHFFFAOYSA-N 482.404 2.023 30 10 JEEE C=CCOc1ccc(Cn2c(N3CCNC(=O)CC3)nnc2[C@]2(OC(C)C)CCOC2)cc1 1595639851 MKJXXNBEGWPLFD-DEOSSOPVSA-N 455.559 2.258 30 10 JEEE C#CCN1CCC[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc(F)cc2)C1 1595791032 VYKMBCDKRAHRTN-FYYLOGMGSA-N 455.555 2.155 30 10 JEEE CCc1nn(C)c(OC)c1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CCOC)[C@@H](C)C1 1613897611 FFELJEGKMAKZJI-SFHVURJKSA-N 478.601 2.326 30 10 JEEE C#CCOc1cc(F)ccc1NC(=O)Nc1ccc(NC(=O)CCN2C(=O)CNC2=O)cc1 1623599495 QZHMXWLAVQMWDT-UHFFFAOYSA-N 453.430 2.362 30 10 JEEE C=CCOCCCC(=O)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1638016005 IEIPRUAXJLCSOO-OALUTQOASA-N 450.580 2.363 30 10 JEEE 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)c1ccc(F)cc1 1641283414 RPPYLXHNZPYRAD-OQIJWPOYSA-N 450.532 2.286 30 10 JEEE CCCCn1c(N)c(N(CC)C(=O)CN2CCC[C@H]2[C@@H](C#N)c2ccccc2)c(O)nc1=O 1653426380 BTZJHPDJDKJRLK-OALUTQOASA-N 452.559 2.456 30 10 JEEE C=CCNC(=O)c1ccc(NC(=O)NCc2cn(C3CN(C(=O)OC(C)(C)C)C3)nn2)cc1 1666222267 ABBPWHIKPYNERV-UHFFFAOYSA-N 455.519 2.307 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCN(C)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1689990230 NBXLIYGUDTYFEO-PZJWPPBQSA-N 463.648 2.063 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CC[S@](=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1689992203 ILMJLUJSHMRQHT-FTDQSSOUSA-N 498.621 2.321 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1690035804 KCRLTZKYHFGFGR-QGZVFWFLSA-N 477.537 2.291 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(F)ccc2Br)n1CCS(C)(=O)=O 1690035982 QRBNDVVMDPZPDV-UHFFFAOYSA-N 453.337 2.354 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccc(COCC)cc2)CC1 1690113535 MIUMZGNNGPQZHJ-RUZDIDTESA-N 453.587 2.270 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)CC1 1690146064 DXBVOWQDBVGNJL-ICSRJNTNSA-N 488.633 2.393 30 10 JEEE C#CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](CC(N)=O)C1 1690174654 HMQOJVIQCBJTHX-ROUUACIJSA-N 492.646 2.045 30 10 JEEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(C(=O)N2CCCC2)CC1 1690188916 QFIQDXQJDXCFBX-PMACEKPBSA-N 461.632 2.207 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCS(=O)(=O)N1CCSCC1 1690260688 UCQCRHVCJLRYPP-UHFFFAOYSA-N 493.655 2.497 30 10 JEEE CCN(CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1)C(C)C 1695748092 GWHQMAWVNUPONP-UHFFFAOYSA-N 459.620 2.065 30 10 JEEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1ccc(NC(C)=O)nc1 1705585120 LGPBFCJJIQSBLX-UHFFFAOYSA-N 496.619 2.117 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN(CC)C(C)C 1705595406 RHYUWRIKYRMLPW-UHFFFAOYSA-N 455.632 2.431 30 10 JEEE C#CCSCCn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCS(=O)(=O)CC1 1705657267 YUAGJYVXFJDMDN-UHFFFAOYSA-N 464.613 2.344 30 10 JEEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCC(O)(C(F)(F)F)CC1 1705659011 IVTKIVIPLCCTES-UHFFFAOYSA-N 457.478 2.266 30 10 JEEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 1705818298 FTQSNAMZVZPPFQ-ROUUACIJSA-N 450.609 2.026 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1705936726 XCYNTDIALSXNGH-QLFBSQMISA-N 452.499 2.277 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)ccc2C)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1705938097 MPJXGXSGIDVJRA-YKSBVNFPSA-N 490.626 2.459 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@H](C)c1nccs1 1706619551 IFUSOBHGRGVRAG-INIZCTEOSA-N 465.587 2.270 30 10 JEEE N#Cc1ccc(-c2nnc(N3CCS(=O)(=O)CC3)n2CCOc2ccc(Cl)cn2)cc1 1712880486 ALONHBPGTDNVRB-UHFFFAOYSA-N 458.931 2.179 30 10 JEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CCCC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1722359001 HOYUCIMWBYAJCH-SFHVURJKSA-N 463.991 2.094 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H](C)CNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1722359794 BCFRPDPRUGPHAX-ZWKOTPCHSA-N 488.614 2.128 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCc1cccc(OCC)c1)[C@H]1CCS(=O)(=O)C1 1722368169 PGTAWUUZBIBRDL-RTWAWAEBSA-N 472.611 2.440 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCN(C(=O)OC(C)(C)C)C1CC1)[C@H]1CCS(=O)(=O)C1 1722369757 GDMMPBJBELLCAI-RBUKOAKNSA-N 493.630 2.156 30 10 JEEE C#CCN(CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCN/C(O)=C1\N=CC=CC1=O 1722407154 ZYCQCNQLYLMLQA-XTQSDGFTSA-N 456.510 2.321 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1722483928 SEIBROGMHAIGLA-BZUAXINKSA-N 456.385 2.058 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2COc3ccccc3O2)n1CCN1CCN(C(C)=O)CC1 1722517968 QUYZKIIXWHSPCC-JOCHJYFZSA-N 454.575 2.357 30 10 JEEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)CCc2ccc(OC)cc2)CC1 1722523156 DEYPHEVMSAJJBN-FQEVSTJZSA-N 487.626 2.046 30 10 JEEE C=CCCOCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1722629858 ZCYUJORHLKBKBW-IBGZPJMESA-N 480.660 2.231 30 10 JEEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC[S@@](=O)C(C)(C)C 1722679697 JMDDCNXPKAEKEP-MGBGTMOVSA-N 472.615 2.378 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(C2CCOCC2)CC1 1722688305 AVFJZHZCRMINOJ-SFHVURJKSA-N 472.565 2.160 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCN(c2nccc(OC)n2)CC1 1722696643 RNAMLOXKRVHDSG-UHFFFAOYSA-N 468.949 2.026 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCS(C)(=O)=O)C1 1722718045 GKYNNMSEJBBAJJ-GOSISDBHSA-N 483.635 2.219 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N(CC)C[C@@H]1COc2ccccc2O1 1722726513 CJIBISPFJOIYFB-QGZVFWFLSA-N 470.555 2.002 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CC[C@@H](COC)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1722731269 IQSMERVXAMJZFZ-KURKYZTESA-N 483.635 2.122 30 10 JEEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2oc(CC)nc2C)C1 1728682138 HEMYGXXCADNSPC-SFHVURJKSA-N 469.571 2.242 30 10 JEEE CCOc1cccc(N2CCN(c3nnc(-c4cccc(C#N)c4)n3CCC(=O)NC)CC2)n1 1728887396 CICQCMQICXGFIV-UHFFFAOYSA-N 460.542 2.073 30 10 JEEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)CCc2ccc(OC)cc2)CC1 1740580210 ZXLZIXBVCJURDC-UHFFFAOYSA-N 478.597 2.218 30 10 JEEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1cccc(Cl)c1C)[C@H]1CCS(=O)(=O)C1 1740624345 IAQAVFSIHYLZET-SFHVURJKSA-N 476.002 2.037 30 10 JEEE C#CCN(c1nnc(Cn2ccc3ccccc32)n1C[C@@](C)(O)CCC)[C@H]1CCS(=O)(=O)C1 1740625902 TZOGPTHJSDDKGW-RDPSFJRHSA-N 469.611 2.459 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@@](C)(O)c1ccco1)[C@@H]1CCS(=O)(=O)C1 1740627743 KGIJXAXYWZGHKB-WZONZLPQSA-N 488.541 2.124 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1CC1(NC(=O)OC(C)(C)C)COC1 1740682967 PBHGVLGKZPVEPV-UHFFFAOYSA-N 466.542 2.196 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2CCNC(=O)c2cccs2)CC1 1740697890 OTULRADBAYLTHF-UHFFFAOYSA-N 450.568 2.200 30 10 JEEE C=C(Cn1c(CC(C)(C)C)nnc1N1CCN(CC(=O)NCCOC)CC1)c1ccccc1 1740801827 DCMJSKPKPLMQTQ-UHFFFAOYSA-N 454.619 2.465 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCO[C@@H](c2nnc(C(C)C)o2)C1 1740956356 PTNZWVJYCBNFEJ-GOSISDBHSA-N 467.530 2.340 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1740963354 IKZCTZYIORFDLA-UYAOXDASSA-N 466.586 2.306 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2C[C@](C)(O)C(C)C)C1 1740979423 JAFSNIYTHCPRAI-OSPHWJPCSA-N 452.559 2.380 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN([C@@H](C)c2nccs2)CC1 1740990879 INCCTXOFLVHNOT-ZWKOTPCHSA-N 480.660 2.460 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCN(Cc2cc(C)no2)CC1 1740993020 REPRVRVERYGDPK-UHFFFAOYSA-N 484.626 2.397 30 10 JEEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1748791566 VUAULJFNRZZEIO-WOJBJXKFSA-N 452.607 2.021 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1CCCN1CCCO[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1748820658 GOLDZDSTEPZBKD-CTNGQTDRSA-N 491.683 2.058 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@](C)(O)[C@@H](C)CC)CC1 1749015854 POKNSPOITMOUAQ-SIBVEZHUSA-N 478.597 2.492 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cn4ccccc4n3)n2C[C@](C)(O)[C@H](C)CC)CC1 1749017243 YEHHPYXFNHLRGM-BCHFMIIMSA-N 477.613 2.280 30 10 JEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2ccccc2Cl)C1 1749023505 UATHPVIDZOJGHF-CRAIPNDOSA-N 484.047 2.486 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H]1CN(CC)c2ccccc2O1 1749037860 HDPYFYDOTLBDKV-MOPGFXCFSA-N 489.667 2.270 30 10 JEEE C=CC[C@@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCOCC1)c1ccccc1 1749385358 QDMURDAJDFXUMB-LEWJYISDSA-N 475.615 2.198 30 10 JEEE C=CCCOCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(C(=O)COC)CC1 1749454477 HTZJTSHESCKMOA-UHFFFAOYSA-N 452.559 2.325 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1749655353 IYUYIIREUFBIIX-IBGZPJMESA-N 471.993 2.483 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2CCCCS2(=O)=O)C1 1749695627 GCCQDHCXVVGBIE-AZUAARDMSA-N 494.639 2.097 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1749730973 XOKZQWCJVVVROX-IRXDYDNUSA-N 493.634 2.019 30 10 JEEE CS(=O)(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCCO2)C1 1750196359 BYLINYUIYNPNRT-UXHICEINSA-N 459.572 2.311 30 10 JEEE CC(C)(C)OC(=O)NCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(c2ccccc2C#N)CC1 1750506886 DFXPFKMHZWJNKB-IBGZPJMESA-N 494.600 2.342 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1csc2ccccc12 1760115905 CUKBCQKPJAJUKC-YJBOKZPZSA-N 459.597 2.332 30 10 JEEE C#CCN(c1nnc(-c2ccc(Br)s2)n1C[C@H](F)COC)[C@@H]1CCS(=O)(=O)C1 1760182886 KUNKACBSRYSJBC-QWHCGFSZSA-N 491.408 2.380 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(Br)cn2C)n1CCS(=O)(=O)CC1CC1 1760211298 CROQQGXXTGUHOD-UHFFFAOYSA-N 478.416 2.334 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc4c(s3)CC[C@H](C)C4)n2CC(=O)NCC(F)F)CC1 1760255961 QWMBJVYAVJYXPI-HNNXBMFYSA-N 462.570 2.268 30 10 JEEE C#CCN1CCN(c2nnc(CC(C)C)n2Cc2cccc(NC(=O)[C@H]3CCCO3)c2)CC1 1760261288 KANLIZXDTGDZLK-JOCHJYFZSA-N 450.587 2.398 30 10 JEEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@H](C)c2nc(CC)no2)CC1 1760427554 DBVXRWWIVROEQI-MSOLQXFVSA-N 477.635 2.365 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCN(C(C)=O)C1 1760483380 NNBCJFGSLLOJIO-IEBWSBKVSA-N 492.621 2.479 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc[nH]3)n2CCNS(=O)(=O)c2ccc(C)s2)C1 1760545242 QBVYVQGQKWIYOX-MRXNPFEDSA-N 462.601 2.403 30 10 JEEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1Cc1ccccc1OCCN(C)C 1763095594 HRGQWLMZIHEWKW-UHFFFAOYSA-N 477.617 2.069 30 10 JEEE COCCN([C@@H](C#N)c1cccc(Br)c1)S(=O)(=O)c1nnc(NC(C)=O)s1 1857958185 GNCDFOIVNJXRAZ-ZDUSSCGKSA-N 474.362 2.161 30 10 JEEE N#Cc1cccc(NC(=O)NS(=O)(=O)c2ccc(CNC(=O)CNC(=O)c3ccccc3)cc2)c1 1858669506 INZNKIXNQVVSMN-UHFFFAOYSA-N 491.529 2.115 30 10 JEEE C#CCOC(=O)NS(=O)(=O)c1ccc(CCNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1 1859011775 PLVQARQUHFPFBN-KPKJPENVSA-N 457.464 2.015 30 10 JEEE COc1cc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCCN2CCOCC2)ccc1O 1862594465 UBFSXWPEMXRZQA-QFIPXVFZSA-N 468.506 2.407 30 10 JEEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(N(C)C)cc1 1862738556 DMWGOWHWODSFSZ-FQEVSTJZSA-N 452.467 2.375 30 10 JEEE COc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N(CCCN3CCOCC3)C2=O)cc1OC 1863165198 UYHVWAAFMUQSOO-UHFFFAOYSA-N 476.533 2.490 30 10 JEEE N#Cc1nnn(-c2ccc(F)c(Cl)c2)c1NC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 1870155477 PDKRCNBQUDPJQS-UHFFFAOYSA-N 469.776 2.074 30 10 JEEE COc1ccc(N2C[C@H](C(=O)Nc3c(C#N)nnn3-c3ccc(NC(C)=O)cc3)CC2=O)cc1 1870159003 AHOMULJGOFDCAR-OAHLLOKOSA-N 459.466 2.098 30 10 JEEE C=CCn1cc(OCC(=O)Nc2ccc([C@@H](C)CC)cc2)c(=O)cc1CN(CCO)CCO 1870663819 XMKYYWOFXVDAQU-IBGZPJMESA-N 457.571 2.352 30 10 JEEE CN1CCN(CC#CCOC2CCN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC2)CC1 1889708112 JWYSOTBDEBETSP-UHFFFAOYSA-N 475.533 2.006 30 10 JEEE CC(C)N1C(=O)CS[C@H](C(=O)N2CC[C@@H](N(C)c3ncccn3)C2)[C@@H]1c1ccc(C#N)cc1 1890388601 BIHCPKKPUVZUIN-HJNYFJLDSA-N 464.595 2.479 30 10 JEEE CC(C)(C)OC(=O)Nc1[nH]nnc1C(=O)NCCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2180982265 DWJNAZDETDXZAL-UHFFFAOYSA-N 457.340 2.423 30 10 JEEE CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)NCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2180990655 GHBDRKBTRLUHHX-LJQANCHMSA-N 459.396 2.153 30 10 JEEE Cc1cc(S(=O)(=O)N(OCc2ccccc2)C2CNC2)sc1B1OC(C)(C)C(C)(C)O1 2255745473 QMBXTYRSWOVJDR-UHFFFAOYSA-N 464.418 2.450 30 10 JEEE CN(C(=O)c1nn(C)c(Cl)c1B1OC(C)(C)C(C)(C)O1)C1CN(C(=O)OC(C)(C)C)C1 2255820210 MSNCPKPDNLOJSV-UHFFFAOYSA-N 454.764 2.064 30 10 JEEE C=C(CS(=O)(=O)NCc1cnn(C)c1NC(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2255952505 UUUMKSOWVNFXLW-UHFFFAOYSA-N 456.374 2.374 30 10 JEEE CCON(CCNC(=O)OC(C)(C)C)C(=O)c1nn(C)c(Cl)c1B1OC(C)(C)C(C)(C)O1 2267187944 FVSAWEMLIMEGQZ-UHFFFAOYSA-N 472.779 2.291 30 10 JEEE CC(C)(C)OC(=O)NCC1CC(F)(CNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2267195031 UJFDOYXJWOOCCK-UHFFFAOYSA-N 452.336 2.082 30 10 JEEE CC(C)(C)OC(=O)NC1[C@H]2CN(S(=O)(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)cc3)C[C@H]12 2267370540 NFXFLHSOTPALDZ-IRXDYDNUSA-N 464.393 2.129 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]1NS(=O)(=O)Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2267473526 HGEUEHHFXCCVBQ-MSOLQXFVSA-N 466.409 2.461 30 10 JEEE CO[C@H]1C[C@H](C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)N(C(=O)OC(C)(C)C)C1 2268655157 ILJNLFQDJOGXNI-UONOGXRCSA-N 467.397 2.083 30 10 JEEE COC(=O)C1(Oc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)CN(C(=O)OC(C)(C)C)C1 2269071080 PGMZFHKAQFONOH-UHFFFAOYSA-N 452.288 2.061 30 10 JEEE CC(C)(C)OC(=O)NCc1cn(C2CN(c3cccc(B4OC(C)(C)C(C)(C)O4)n3)C2)nn1 2281487829 DPDXTAIOZUANGP-UHFFFAOYSA-N 456.356 2.058 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](O)CN1C(=O)c1cc(F)ccc1B1OC(C)(C)C(C)(C)O1 2281769201 AZTLMRQPGAQUGH-HOTGVXAUSA-N 464.343 2.225 30 10 JEEE Cc1c(C(=O)N[C@H](C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281809303 ZBCLUFSABXNHGU-CVEARBPZSA-N 462.400 2.403 30 10 JEEE CC(C)n1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O 2281821979 HIKKCHYALLVLJX-FUHWJXTLSA-N 463.384 2.078 30 10 JEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)C1NC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2281829314 WUFLJUMSNFWKPJ-GJZGRUSLSA-N 462.400 2.341 30 10 JEEE Cn1nc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2281967168 VYCJHGMFHGVDCI-MUJYYYPQSA-N 460.384 2.380 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H]2CCN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)C[C@@H]2C1 2281978830 JENFREWJJWURRI-JKSUJKDBSA-N 460.384 2.428 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(F)c(C(=O)N[C@@H]2COC[C@H]2NC(=O)OC(C)(C)C)c1 2282019892 RQCIEABKMXBWIL-IAGOWNOFSA-N 464.343 2.455 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)C1 2282044592 UUNXHDKSBHSTNA-HOTGVXAUSA-N 462.400 2.485 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)n1 2282064357 YRXGVPFSZTUJOQ-HZPDHXFCSA-N 460.384 2.045 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)c(F)c2)[C@@H](O)C1 2282478235 AJNFVBNRGUXMMA-ROUUACIJSA-N 464.343 2.225 30 10 JEEE CC(C)(C)OC(=O)NC1CCN(CCNC(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)CC1 2282526597 SPFKFZQGLWOPMX-UHFFFAOYSA-N 480.440 2.161 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCCN1C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2282614596 JUHABZZWFHEWSN-GJZGRUSLSA-N 463.388 2.022 30 10 JEEE CC(C)(C)OC(=O)N[C@@]12C[C@H]1CN(S(=O)(=O)c1ccc(F)cc1B1OC(C)(C)C(C)(C)O1)C2 2282846702 NGXHBXBYRXMOEZ-RCDICMHDSA-N 482.383 2.413 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](O)CN1c1ccc([N+](=O)[O-])c(B2OC(C)(C)C(C)(C)O2)c1 2282934090 NGLGHWZFHLIYCS-HZPDHXFCSA-N 463.340 2.358 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CC(=O)N=c2ccc(Cl)c(B3OC(C)(C)C(C)(C)O3)[nH]2)C1 2283930877 BBWUHIYLWXESOH-DZGCQCFKSA-N 481.786 2.013 30 10 JEEE CC(C)(C)OC(=O)NC1(C(=O)N2CCc3ccc(B4OC(C)(C)C(C)(C)O4)cc32)CC(O)C1 2284048324 KDOIZWZVWDTGBE-UHFFFAOYSA-N 458.364 2.293 30 10 JEEE C[C@H](OCc1ccccc1)[C@@H](NS(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)O 2284416678 ATGHLFIZRONQNO-OXJNMPFZSA-N 475.372 2.323 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N[C@@H](CN(C)Cc1ccccc1)C(=O)O 2285200730 YRFPFCCGRVXCGT-IBGZPJMESA-N 453.348 2.004 30 10 JEEE CC(C)(C)OC(=O)N(CC(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1)C1CCOCC1 2288169715 UCBGHRHRFAPVMA-UHFFFAOYSA-N 481.424 2.475 30 10 JEEE Cc1cc(CNC(=O)[C@H](NC(=O)OC(C)(C)C)C2COC2)ccc1B1OC(C)(C)C(C)(C)O1 2289468097 RGSZKKXGGWHHRN-LJQANCHMSA-N 460.380 2.450 30 10 JEEE COc1ccc([C@H]2C(=C(O)c3ccc([N+](=O)[O-])cc3)C(=O)C(=O)N2CCOCCO)c(OC)c1 2296166925 GRVREKHMZFGVMX-FQEVSTJZSA-N 472.450 2.043 30 10 JEEE COc1ccc(C(O)=C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccccn2)cc1F 2296621171 LQJKFIICXAKVQJ-OAQYLSRUSA-N 455.486 2.373 30 10 JEEE O=C(N[C@@H]1CCNC[C@H]1C(=O)C=Cc1ccc([N+](=O)[O-])s1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 2328198394 MQJSXRGXBMOWLU-HZPDHXFCSA-N 475.439 2.463 30 10 JEEE CC1(C)OB(c2sncc2C(=O)N2C[C@@H]3OCCN(Cc4ccccc4)[C@H]3C2)OC1(C)C 2337342050 ALBSHHVMPXOFJC-OALUTQOASA-N 455.389 2.168 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@H](C[C@@H]2C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2359391168 MEGNJDNFOWBPFG-KFWWJZLASA-N 478.424 2.481 30 10 JEEE Cn1cc(C(=O)N[C@@]2(C)CN(C(=O)OC(C)(C)C)CC2(F)F)nc1B1OC(C)(C)C(C)(C)O1 2361520910 BLEFMMMCCMVSOZ-FQEVSTJZSA-N 470.326 2.094 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C2(CCC2)C1 2362338518 RUDOEBOSFUSYFG-HNNXBMFYSA-N 460.384 2.381 30 10 JEEE CC(C)(C)OC(=O)N1CCN(CCCNC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)CC1 2362576327 HKPCLAFHRBNIMN-UHFFFAOYSA-N 480.440 2.115 30 10 JEEE COC[C@H]1CN(C(=O)OC(C)(C)C)CCN1c1ccc(B2OC(C)(C)C(C)(C)O2)c(OC)n1 2365344782 SEWZFMDGHKWUKK-MRXNPFEDSA-N 463.384 2.462 30 10 JEEE O=C(CSc1n[nH]c(N/N=C/c2cc([N+](=O)[O-])ccc2O)n1)NCCc1ccc(F)cc1 58997460 WSVIPXSDDKXXGI-LSHDLFTRSA-N 459.463 2.455 30 10 JEEE Cc1cc(C)c(C#N)c(SC2=C(N(C)CCO)C(=O)N(c3ccc(N(C)C)cc3)C2=O)n1 526695759 ZWOUAIAAXWXRLE-UHFFFAOYSA-N 451.552 2.437 30 10 JEEE COCCN(CCOC)C1=C(Sc2nc(C)cc(C)n2)C(=O)N(c2cccc(C#N)c2)C1=O 526700807 JNJCERWIDJFABF-UHFFFAOYSA-N 467.551 2.437 30 10 JEEE Cn1c(N/N=C/c2cc(Br)ccc2O)nc2c1c(=O)n(Cc1ccccc1)c(=O)n2C 606629607 COQGAAWPARKXAL-FOKLQQMPSA-N 483.326 2.396 30 10 JEEE COC(=O)C1=C(C(=O)c2cc(OC)ccc2OC)[C@H](c2cnn3ccccc23)NC(=S)N1 729663595 VGYHBPXFWSFTKV-SFHVURJKSA-N 452.492 2.180 30 10 JEEE Cc1ccc(-n2c(=C(C#N)C(=O)N3CCCC3)sc(=Cc3cnn4ccccc34)c2=O)cc1F 729669636 AKYHIBFHWIDATH-UHFFFAOYSA-N 473.533 2.120 30 10 JEEE COc1cc(C=NNc2nc(SCC(=O)Nc3nnc(C)s3)n[nH]2)cc(OC)c1OC 1084138839 NDJDAABGOVVNEC-UHFFFAOYSA-N 464.533 2.167 30 10 JEEE C=CC1(CC(=O)NCCOc2ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc2)CCCCC1 1266694120 YQPDQNZWNHMJAW-UHFFFAOYSA-N 458.602 2.434 30 10 JEEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](CNC(C)=O)C1 1286351180 BMJLNHFRANWTNJ-PMACEKPBSA-N 474.606 2.352 30 10 JEEE C#CCN(c1nnc(CC)n1Cc1ccccc1OCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1286395207 RKOIUTDYSNGUBS-MRXNPFEDSA-N 456.490 2.457 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](C)N(C)C1CC1)[C@H]1CCS(=O)(=O)C1 1286398993 WCHAGNHOQBXMJH-GFOJFJKKSA-N 477.675 2.306 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCC[C@@H]1NC(=O)NC1=O 1286401087 IUJHVPMDSJABNF-RDJZCZTQSA-N 450.568 2.192 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(OC)ccc2Br)n1C[C@@]1(O)CCO[C@@H]1C 1286459441 DLMFAZLVLWYIMY-VFNWGFHPSA-N 479.375 2.342 30 10 JEEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1ccc(N2CCC(C)CC2)nc1 1286469379 UIRHHTVGVVDCPN-UHFFFAOYSA-N 465.602 2.166 30 10 JEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@]2(N(C)C)CCC[C@@H](C)C2)CC1 1286483983 BVPYHVJNGZHYJB-CJFMBICVSA-N 452.651 2.405 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2cc(F)ccc2OC)CC1 1286488883 WZHOUCQICXUMLK-SANMLTNESA-N 499.587 2.481 30 10 JEEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1286499174 FNGRBNXVJKRAGS-UXHICEINSA-N 476.624 2.099 30 10 JEEE C=CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CCCNS(C)(=O)=O 1286719581 LNWJRSIRLWKEOH-UHFFFAOYSA-N 458.382 2.278 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1286779685 LSHVJWWVVPMGKU-INIZCTEOSA-N 488.365 2.325 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCN([C@@H](C)c2nc(CC)no2)CC1 1286784117 AAHWFQCAZSLYCZ-KRWDZBQOSA-N 480.573 2.085 30 10 JEEE C=CCNC(=O)Cn1c(N2CCO[C@@H](c3cccc(OC)c3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1286794174 YQJRECZIGJFWIZ-PXDATVDWSA-N 485.585 2.207 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cc(F)ccc3Br)n2CCS(=O)(=O)NC)C1 1286803462 ICIPZCPERGTDGF-AWEZNQCLSA-N 488.383 2.177 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccc3C)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1286808623 XSOWDZWUQZLGMF-CTNGQTDRSA-N 459.616 2.240 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 1286820574 NOETWPAVPDBSDT-UYAOXDASSA-N 481.663 2.498 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1286824624 FXJMTGWOBOJICM-OTWHNJEPSA-N 470.636 2.387 30 10 JEEE C=CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCOC[C@H]1C 1286826447 ICGNXROUKATVGG-MRXNPFEDSA-N 451.618 2.340 30 10 JEEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCC(CC(=O)N4CCN(C)CC4)CC3)n[nH]2)c1C 1293110765 CRAVBXYVWUJKAQ-UHFFFAOYSA-N 453.591 2.092 30 10 JEEE CC[C@H]1CCCCN1CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](CNC(C)=O)C1 1293364361 FKFUPKJRPUUSDX-XZOQPEGZSA-N 465.602 2.423 30 10 JEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCO[C@H](c3ccc(OC(F)F)cc3)C2)cc1 1295951065 GPUQTMQWGYBMJV-IBGZPJMESA-N 450.463 2.413 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CC2(N(C)C)CCCC2)c1 1300332379 CUEAKXSUFMQZHX-HXUWFJFHSA-N 463.586 2.160 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCN(C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1300496674 TUGXBMLPCARQKA-IRLDBZIGSA-N 471.627 2.325 30 10 JEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](NC(=O)OC(C)(C)C)C(C)C)CC1 1300707271 XZAWODIYAKVAJK-NRFANRHFSA-N 484.649 2.444 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCC(=O)NCCC)CC1 1300733551 WWNZDYGCEMGCQN-TZIWHRDSSA-N 472.634 2.079 30 10 JEEE C=C(Br)Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@H](C(N)=O)C1 1300829461 DGKGCZBMBJRAPO-JTQLQIEISA-N 458.158 2.266 30 10 JEEE C=C(Cl)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN([C@@H](C)C(=O)NCCCOC)CC1 1301029195 KMAZYOYPRCZGGQ-KRWDZBQOSA-N 490.992 2.090 30 10 JEEE C=CCCOCCn1c(-c2cc(Br)cn2C)nnc1N1CCC(C(N)=O)CC1 1301241123 NZEBBHAPPRNQQJ-UHFFFAOYSA-N 451.369 2.341 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(F)cc3Br)n2Cc2nnn(C)n2)C1 1301546812 VDLFZXRALOWWBE-ZDUSSCGKSA-N 463.315 2.200 30 10 JEEE Cc1ccc(NC(=O)c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H]2CCS(=O)(=O)C2)cc1C 1304378305 BHLXPBQKASHFQH-IERDGZPVSA-N 460.535 2.024 30 10 JEEE COCC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(SC)CCOCC2)CC1 1315753707 ACXNSFQTQTYSIN-UHFFFAOYSA-N 484.626 2.460 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CC1(N(C)C)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1358955439 LZAOOWBXGJFTNJ-HXUWFJFHSA-N 492.690 2.088 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1CCC(=O)NCCC)[C@H]1CCS(=O)(=O)C1 1358957914 CQFXJLDXJINCCM-INIZCTEOSA-N 481.981 2.281 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CCCN1C[C@@H](C)C[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1358965576 XJXZBWVSWIRGTG-FUPPJEDESA-N 484.670 2.259 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)Nc2ccccn2)n1C[C@]1(C)CN(C)C1=O 1359014968 DAYDBPJSGSZMMY-DEOSSOPVSA-N 461.501 2.183 30 10 JEEE C#CCN1CCN(c2nnc(CCN3CCN(c4ccccc4)CC3)n2CCOC(C)(C)C)CC1 1359038326 RTNBDQNSYKZGGC-UHFFFAOYSA-N 479.673 2.213 30 10 JEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCCN(c2ccccc2C#N)CC1 1359048155 HGEMJBBXCQPAIQ-UHFFFAOYSA-N 463.611 2.469 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC[S@@](=O)CC 1359071652 YDYWWHZFSZHVRY-XWJUPSSKSA-N 465.620 2.347 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ncc(Cl)n1C 1359189742 UAPFMVPRFPEITI-HNNXBMFYSA-N 486.042 2.237 30 10 JEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cc(Cl)ccc1OC 1359287829 YJAIOUQNQHHWCS-KRWDZBQOSA-N 455.968 2.095 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CCN2C(=O)CC[C@H]2C1 1359294950 KKJFWGSWZJEXNS-AWEZNQCLSA-N 493.793 2.474 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cc(F)ccc3Br)n2CC(=O)N2CCOCC2)C1 1359314588 DNAHXAPRVMNHNB-INIZCTEOSA-N 494.365 2.487 30 10 JEEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(c2ncccc2F)CC1 1359337037 IPVAIDHEKSHFPW-MRXNPFEDSA-N 483.639 2.058 30 10 JEEE CC(=O)NCC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)CN2CCOCC2)CC1 1359444184 BFMMCBLNXPQJLY-FQEVSTJZSA-N 495.628 2.050 30 10 JEEE C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2ccc(F)cc2)CC1 1360475758 DJNSIZBNUQZZTB-VQIMIIECSA-N 476.578 2.220 30 10 JEEE CCN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CC1(COC)CCOCC1 1502208746 BYKQJWBWWOHWHQ-UHFFFAOYSA-N 461.588 2.131 30 10 JEEE CN(C)S(=O)(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[C@](C)(C#N)C1 1503406097 CYNVOIHEOPPYQJ-JOCHJYFZSA-N 468.587 2.152 30 10 JEEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@](C)(O)c2ccco2)C[C@H](C)O1 1504733319 BXOGPGMVJNWOCJ-GERBCZOESA-N 467.526 2.470 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cccc(C(=O)NCC)c1 1507527022 FXVCXLZCZYRXGO-QGZVFWFLSA-N 479.610 2.494 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccsc3)n2CCS(=O)(=O)CC)c1 1507552517 POLZACXUZVKBLE-UHFFFAOYSA-N 471.608 2.421 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1CCSC1)[C@@H]1CCS(=O)(=O)C1 1507625167 HNLYSQMKRLAYGT-FUHWJXTLSA-N 476.624 2.342 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1Cc1c(C)nn(C)c1C)[C@@H]1CCS(=O)(=O)C1 1507638368 DWKAYJRRCLXAKL-OAQYLSRUSA-N 496.637 2.499 30 10 JEEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1507757219 VNDDLWIGBQKZGY-UHFFFAOYSA-N 464.643 2.303 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(=O)COC)CC1 1507809403 UYCQWHNRJVKDPM-UGESXGAOSA-N 475.634 2.473 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(c2ncc(C)s2)CC1 1507832255 WAUOLVNJMGBUQH-QGZVFWFLSA-N 466.633 2.336 30 10 JEEE C=C(C)COCCn1c(-c2ccc(OC)cc2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1507840712 OQGCDZJMFOCZLF-DEOSSOPVSA-N 468.558 2.361 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCCCO2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1507844897 RUPFKFLWEZXIKN-PUHATCMVSA-N 474.650 2.491 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2nc(CC)ns2)CC1 1507915500 WIWMPEMUYDQYMD-OAHLLOKOSA-N 482.680 2.231 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCCO1 1508007941 JPLJYQUTHRRRFU-HKUYNNGSSA-N 481.644 2.434 30 10 JEEE C=CCn1c(N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)nnc1[C@]1(OCC)CCOC1 1508067664 NBACYCZATSIBMB-QHCPKHFHSA-N 458.538 2.016 30 10 JEEE C=CCNC(=O)Cn1c(N(Cc2ccnn2C)C2CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1508098720 RCEKWPAAIKKDIQ-CALCHBBNSA-N 484.605 2.254 30 10 JEEE C=CCS(=O)(=O)CCn1c(N(C)Cc2ccon2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1508147724 BNFUYXROVNZYSZ-WOVMCDHWSA-N 480.591 2.274 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2C[C@@H]2CSCCS2)c1 1539046098 NDVHJMBLVAEDGN-LJQANCHMSA-N 484.651 2.305 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(CC(F)(F)F)CC1 1539593976 CNYWOPURFKPKKU-LBPRGKRZSA-N 451.291 2.212 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)CC(=O)N1CCOCC1 1539622459 GMPJCFASWZFJMF-PXNSSMCTSA-N 460.966 2.270 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1539627775 LPJQYVOVHABINV-ZOBUZTSGSA-N 465.480 2.221 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccc2OC)nnc1N1CCN(CCOC)C(=O)C1 1539637782 SVPNUPYWIUZCNP-RDPSFJRHSA-N 469.586 2.154 30 10 JEEE C=CCCCCCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCCS1(=O)=O 1539945578 QTZPLERFTABNOD-ROUUACIJSA-N 458.650 2.330 30 10 JEEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCS(=O)(=O)Cc1ccccc1 1540063779 BSDYEBWYJCHUKQ-UHFFFAOYSA-N 488.639 2.475 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2([S@@](C)=O)CC2)C1 1540886289 ZKBUFYCVWGNJDP-NOVUIFNWSA-N 464.613 2.041 30 10 JEEE CC(C)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCN2CCCO)[C@@H](C)C1=O 1541557621 IFXQPYITTUBXKF-NZQKXSOJSA-N 479.629 2.357 30 10 JEEE CC(C)NC(=O)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@](F)(C#N)C1 1541685314 AXOGBOMBPAQBSK-OAQYLSRUSA-N 461.929 2.218 30 10 JEEE CCc1ccc(C(=O)N2CC(Oc3ccc(C#N)cc3)C2)cc1S(=O)(=O)N1CCOCC1 1556130343 HWFXDTXIBLPJGC-UHFFFAOYSA-N 455.536 2.045 30 10 JEEE C#CCN(C)C(=O)c1cccc(S(=O)(=O)N(C)c2c(C)n(C)n(-c3ccccc3)c2=O)c1 1556177396 CFFLMWDYBJUSAL-UHFFFAOYSA-N 452.536 2.015 30 10 JEEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 1588035668 WQTNLOJWESRYAV-SIKLNZKXSA-N 479.002 2.259 30 10 JEEE C#CCN(c1nnc(COc2ccccc2OC)n1Cc1cnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1588069126 HRBBVLAAPRBMKF-QGZVFWFLSA-N 487.607 2.306 30 10 JEEE C#CCN(c1nnc(COc2ccccc2CC)n1C[C@H]1CC(F)(F)CO1)[C@@H]1CCS(=O)(=O)C1 1588069612 REUKDZGQUDGVQX-RTBURBONSA-N 494.564 2.470 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1Cc1csc(C)c1)[C@H]1CCS(=O)(=O)C1 1588073922 FXIGWIPVPTVXFQ-FHWLQOOXSA-N 464.613 2.047 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCOCC(F)F 1589171753 REXYBRXUWDTQDS-OAQYLSRUSA-N 467.542 2.469 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1cccc(F)c1 1589664274 WZQVFIWQSBWISP-IBGZPJMESA-N 467.567 2.232 30 10 JEEE C=CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CC1(S(C)(=O)=O)CCCC1 1595297025 LSDCSBPOEJYXJK-UHFFFAOYSA-N 465.576 2.002 30 10 JEEE CC(C)(C)S(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1597693356 AKDRIHULYPEDBL-SFHVURJKSA-N 479.628 2.043 30 10 JEEE CCOC(=O)[C@@H]1C[C@@H]2/C(=N\NC(N)=S)CCCC[C@H]2N1S(=O)(=O)c1ccc(C)cc1 1614222309 RHOODRQSFWQUPU-ROHOKCSBSA-N 452.602 2.069 30 10 JEEE COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCCCC2)C[C@@H](C)O1 1619753544 CMMOHNSFJPQBNR-DENIHFKCSA-N 454.575 2.455 30 10 JEEE C#C[C@H](NC(=O)c1ccccc1NS(=O)(=O)c1ccc2nc(O)[nH]c2c1)C1CCOCC1 1640925708 PFQLXPFADFDWFE-KRWDZBQOSA-N 454.508 2.228 30 10 JEEE C#CC[C@@H](NCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)c1ccccc1 1642509533 FQSIPCJMAJUBDY-XMMPIXPASA-N 451.592 2.362 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC(=O)NCC(F)F 1649541643 GQWZZMVHUFVOOO-UHFFFAOYSA-N 459.501 2.459 30 10 JEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCc2ccc(CN3CC[C@H](O)C3)cc2)cc1 1667321671 CMQPWKSABBZHSY-NRFANRHFSA-N 458.584 2.381 30 10 JEEE C#CCN(C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 1669763699 CYOYDGCTPZJQGM-UHFFFAOYSA-N 454.531 2.438 30 10 JEEE C=C[C@@H]1OCC[C@H]1CNC(=O)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1682167016 KRBBHWCGGBPLDX-LEAZDLGRSA-N 477.606 2.155 30 10 JEEE C#CCN1CCC[C@H](NC(=O)N2C[C@@H]3CC[C@H](C2)N3C2CCN(C(=O)OC(C)(C)C)CC2)C1 1687593612 VFCJOWMUAQQIMJ-ILWGZMRPSA-N 459.635 2.342 30 10 JEEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCc1nccc(C(F)(F)F)n1 1689961115 LTHUOGLOYUPJJW-UHFFFAOYSA-N 468.443 2.313 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1CCc1cccnc1)[C@H]1CCS(=O)(=O)C1 1689991974 FIENBVREXBYBIN-NRFANRHFSA-N 465.579 2.142 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2Cc2ccccc2CN2CCC(O)CC2)CC1 1690136421 DYSBFWGUCUUDTF-UHFFFAOYSA-N 478.641 2.372 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C(C)(C)C)C1 1690238689 MNAMIVJEKNWZAS-TVFCKZIOSA-N 455.625 2.121 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1csc([C@@H](C)OC)n1 1690265687 SKTPDQYXDTURHM-NVXWUHKLSA-N 484.648 2.226 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(CCCO)CC1 1690661640 BZOUYQITSGKAMB-UHFFFAOYSA-N 451.369 2.327 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCCN(C(=O)C(C)C)CC1 1690676111 QCKWONZOENTGPN-UHFFFAOYSA-N 454.575 2.162 30 10 JEEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@H](c3cnn(C)c3)C2)cc1 1690678956 GNOLPYSCURVUJX-HKUYNNGSSA-N 485.614 2.229 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N(C)Cc1nc2ccccc2s1 1690714943 YZPBULBHIPWRLA-UHFFFAOYSA-N 462.601 2.263 30 10 JEEE CCN(CC)C(=O)CCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C#N)C1 1695587103 HVMKKNTWIAIVMK-IBGZPJMESA-N 487.992 2.239 30 10 JEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(F)c(F)c1 1705517640 ZWGMXMUAVWSWNX-LJQANCHMSA-N 467.542 2.329 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CCO[C@@H]1CCCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1705569368 FXEPALPIEMTFGM-KSEOMHKRSA-N 471.627 2.486 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCc1nnc(C)s1 1705606683 CJEYYIZSAIIOQH-UHFFFAOYSA-N 459.601 2.058 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1CCN1CCCCC1 1705619379 OXRVPWVGNGOQET-SFHVURJKSA-N 462.595 2.153 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccnc3)n2C[C@H](C(CC)CC)N2CCOCC2)CC1 1705637526 AZUMGKUVTSYGDQ-HSZRJFAPSA-N 451.619 2.232 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2CCC(=O)NCc2ccccc2)CC1 1705644337 NLGFGVFOPWPGTJ-LJQANCHMSA-N 450.587 2.464 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC2(C(=O)NCC)CCC2)CC1 1705652871 QGXJKAAVADLSDB-NHCUHLMSSA-N 498.672 2.469 30 10 JEEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H](N2CCCC2=O)C1 1705692285 FFYIZQHFWVKVKQ-ZOBUZTSGSA-N 454.369 2.112 30 10 JEEE C=C(C)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 1705723199 DYDQEYWMHQAUMC-HXUWFJFHSA-N 463.604 2.407 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1CCCN(c2ccccc2)C1 1705725640 LQBIFTPDJCJEDL-SFTDATJTSA-N 474.631 2.292 30 10 JEEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 1705821614 CHWOLUDLFPSDNB-IBGZPJMESA-N 464.636 2.198 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCS(C)(=O)=O 1705884018 CKJZFVDQOHRORT-QGZVFWFLSA-N 471.624 2.076 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N(CCO)Cc1ccccc1 1705895648 NSTRKUPUIOIPBF-UHFFFAOYSA-N 459.348 2.337 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1705900088 PYSIEWHAFUGFAU-GOSISDBHSA-N 454.575 2.245 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1705933855 UAFIWINNYHYFGD-UHFFFAOYSA-N 497.625 2.288 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 1705936324 OFBNPCXUQDXITJ-CVEARBPZSA-N 488.536 2.440 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1Cc1cccc(CN(C)C)c1 1706619505 FQANMMMOYTXFSL-UHFFFAOYSA-N 487.612 2.119 30 10 JEEE CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN(C)C(C)C)CC1 1708632904 FSSQPMWOEWKKOT-HXUWFJFHSA-N 466.634 2.194 30 10 JEEE CCc1ccc(-c2nnc(N3CCN(c4c(C#N)c(C)nn4C)CC3)n2CC(=O)NC(C)C)cc1 1708917442 BUCUHAHEKVWHLG-UHFFFAOYSA-N 475.601 2.272 30 10 JEEE CNC(=O)CC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCN2CCCO)CC1 1711371369 DNSJRKRJEKEQKR-JOCHJYFZSA-N 465.602 2.016 30 10 JEEE COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(N(C)C)CCSC2)CCO1 1712302749 ADBFPVVZGCCTLC-OFNKIYASSA-N 472.615 2.018 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1[C@H]1C[C@H](c2ccccc2C)C1 1722296981 WVVYACKJEFHFQG-XCJLJZCSSA-N 457.600 2.496 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OCC)CCOC3)n2CC2CCOCC2)c1 1722304720 DHMOQYFVZWVSCC-RUZDIDTESA-N 467.570 2.413 30 10 JEEE C#CCCCCn1c(C)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)C2(CCS(=O)(=O)CC2)C1 1722311731 YPHRWXMSKQYJJV-GOSISDBHSA-N 465.620 2.298 30 10 JEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cc(F)cc(F)c1 1722318102 ZMFJBSIVYVSAPN-IBGZPJMESA-N 467.542 2.329 30 10 JEEE C#CCN(C)c1nnc(-c2cccc(Br)c2)n1CCS(=O)(=O)N1CCSCC1 1722343761 QCIAUINVSLXYCI-UHFFFAOYSA-N 484.445 2.156 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1cc(F)ccc1N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1722358005 BXMOLOWTGUXQRA-FQEVSTJZSA-N 489.617 2.226 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1CCCN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1722369582 BMQFIDHCDVTOFX-FQEVSTJZSA-N 489.617 2.499 30 10 JEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@](C)(OC)C1CC1 1722376100 KUESTQHPBYGHEB-QHCPKHFHSA-N 454.600 2.435 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(C2OCCO2)c1 1722388126 VRAXVCWJDKKVII-UHFFFAOYSA-N 456.506 2.482 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CCc2ccccc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1722505635 RTERAWQSLSUEIZ-WIOPSUGQSA-N 466.630 2.255 30 10 JEEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1722689493 UNBNHGXNBJWPKM-HSZRJFAPSA-N 493.656 2.257 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1722705840 ISJGWUCWOYOMMP-XHNVNVPESA-N 469.586 2.494 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCn2cccn2)C1 1722715791 RDCFZOVULQRJCY-LJQANCHMSA-N 456.572 2.417 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(Cc2ccc(OC)c(F)c2)CC1 1722725925 UJXHDKGPBBJJHF-UHFFFAOYSA-N 465.595 2.472 30 10 JEEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC2CC2)C[C@H](C(F)(F)F)O1 1726722064 CKWRFKUTBGXAKR-RDTXWAMCSA-N 478.475 2.411 30 10 JEEE CCc1nc(CCn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@@H](CNC(C)=O)C2)cs1 1727458267 HJQGLNVYLDKVCB-FQEVSTJZSA-N 465.583 2.420 30 10 JEEE CCN(CC)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)OC)CC1 1728420016 ABSHWSUWCVCWPT-UHFFFAOYSA-N 455.563 2.349 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2CCC2(F)CCC2)c1 1740562895 RZYHRTGDDDZFNQ-MRXNPFEDSA-N 476.578 2.227 30 10 JEEE C#CCCCn1c(-c2noc3c2COCC3)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1740589027 MVFKCWOITPCDQD-UHFFFAOYSA-N 466.464 2.314 30 10 JEEE C#CCN(C)c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1C[C@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1740598630 YBVDPHAXNZHJQW-WDSOQIARSA-N 474.606 2.290 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CC1(COC)CCC1)[C@H]1CCS(=O)(=O)C1 1740619286 NHTRVLOTMSHKJK-INIZCTEOSA-N 496.431 2.479 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC1(SC)CCN(C)CC1)[C@H]1CCS(=O)(=O)C1 1740623013 MVECUHVKOUWJGT-IBGZPJMESA-N 488.683 2.103 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@H](CC)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1740628981 XWXKYPKWAVHIOH-VQTJNVASSA-N 489.617 2.497 30 10 JEEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCNc2ncc(Cl)cc2Cl)CC1 1740695223 JKAWAUGJHIDMNF-UHFFFAOYSA-N 460.373 2.248 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2csc(N3CCOCC3)n2)n1CCCN(C)CCOC 1740729228 BDIOSRDCMUBZSS-HSZRJFAPSA-N 473.647 2.199 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2C[C@H](C)O[C@H](COC)C2)nnc1[C@]1(OCC)CCOC1 1740768014 SPCRGYVLDREZLJ-RUIUOMPFSA-N 450.580 2.152 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(OC)cc2OC)CC1 1740840370 XFRWPTAPHAJYKU-NRFANRHFSA-N 491.614 2.079 30 10 JEEE C=CCCCCn1c(N2CCC([C@H]3NC(=O)N(C)C3=O)CC2)nnc1[C@@]1(OCC)CCOC1 1740866907 RCUJVTWUMYWKSI-WZONZLPQSA-N 460.579 2.053 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC(N(C)C(=O)OCC)CC1 1740955460 VDTMLMPVKNUGHJ-UHFFFAOYSA-N 456.547 2.313 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1CCC[C@@H](C(=O)OC)C1 1740964958 JYHIRGMCFWILRF-MRXNPFEDSA-N 459.572 2.271 30 10 JEEE CCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1745652389 AUWPWRPYZQKGMU-CQSZACIVSA-N 451.984 2.150 30 10 JEEE COc1c(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)oc2ccccc12 1748507038 GQDAOMQICHJTRA-AWEZNQCLSA-N 458.544 2.431 30 10 JEEE C#CCN(CC#CC)c1nnc(CSc2ccc(C)cc2)n1CCN1CCCS1(=O)=O 1748902899 WBTNZWBQLWUNOZ-UHFFFAOYSA-N 457.625 2.377 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC1(N2CCOCC2)CC1 1748948756 VALSTCSJGKVKFP-UHFFFAOYSA-N 466.586 2.098 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ncccc1N(C)C 1748965635 UAUVAGYVBMSNLQ-OAQYLSRUSA-N 499.616 2.182 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CCOCCCO)CC1 1748983271 LTWRUGQXFKGEQQ-UHFFFAOYSA-N 462.392 2.170 30 10 JEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1c1csc(C)n1 1749022582 KPVUWKCLSJWKPT-XJKSGUPXSA-N 454.647 2.361 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCNC(=O)CC1 1749122452 WBADKOCGYYCVHH-IERDGZPVSA-N 471.558 2.278 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1749133364 KWASZUIHOWEBRU-VWPQPMDRSA-N 474.631 2.011 30 10 JEEE C=C(Cl)Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1749276368 ICHURVVUBUCOSR-MRXNPFEDSA-N 457.025 2.391 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1[C@H](C)CCN1C(=O)OC(C)(C)C 1749489137 RMZYXTZKCQABJG-BRWVUGGUSA-N 453.609 2.448 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1c2ccccc2C[C@@H]1C 1749575866 YIPJZVPALXHXIQ-UGKGYDQZSA-N 486.642 2.241 30 10 JEEE C=CCOc1ccc(Cn2c(N3CCN(C(=O)NC)CC3)nnc2[C@@]2(OCC)CCOC2)cc1 1749686443 BEWTUSMVAFPEMZ-XMMPIXPASA-N 470.574 2.005 30 10 JEEE C=CCOc1ccccc1Cn1c(CN2CCCC2=O)nnc1N1CCN(CC(F)F)CC1 1749690229 UDZJWFPCTVQLMR-UHFFFAOYSA-N 460.529 2.401 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCC([C@@H]3CC3(F)F)CC2)nnc1[C@]1(OCC)CCOC1 1749739572 GTBMYJPXAFYWTJ-PXNSSMCTSA-N 474.574 2.403 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CCC(=O)NC(C)(C)C 1750965231 HZTYBZUWVZKTQB-UHFFFAOYSA-N 484.580 2.058 30 10 JEEE C#CCCCCn1c(COc2cc(C)ccc2C)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1760142159 TWPQARVDENJIPS-UHFFFAOYSA-N 480.613 2.451 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H](CC)Oc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1760189156 OEXGOVUOGFIMEV-WOJBJXKFSA-N 486.573 2.302 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2ccccn2)n1Cc1ccccc1CN1CCC[C@@H]1CO 1760204428 PKQUWVQAMAPHLI-RUZDIDTESA-N 454.578 2.342 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1C[C@H](c1cccs1)N1CCOCC1 1760209159 WXTLLLKZFUZVCR-LJQANCHMSA-N 454.600 2.014 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCN1CCCCC1 1760211848 OHUYWELWRVDCSN-UHFFFAOYSA-N 467.643 2.495 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(F)cc3Br)n2CCOCCCO)CC1 1760255449 AUKSAVMNWYEPMC-UHFFFAOYSA-N 466.355 2.001 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(COc4ccccc4)o3)n2CCCNC(C)=O)CC1 1760257023 YYSJIVOGMXJSFB-UHFFFAOYSA-N 462.554 2.399 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2CC(=O)NC2CCCCC2)CC1 1760264113 BZYCOANFDDETBL-UHFFFAOYSA-N 454.550 2.200 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](CC)c3ccccc3)n2CC2(C(N)=O)CCOCC2)CC1 1760265861 KLWYUEFBPCZOHC-JOCHJYFZSA-N 492.624 2.068 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CC2(OC)CCC(C)CC2)CC1 1760268173 DVEPLIJMGQWKCP-UHFFFAOYSA-N 453.591 2.240 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(F)cc2Br)n1C[C@@]1(O)CCS(=O)(=O)C1 1760292062 NYHUOUSIRWXHDO-UXHICEINSA-N 497.390 2.388 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cnc(C)s1 1760315472 FSFSHFGSOUAHLG-UNEWFSDZSA-N 454.622 2.271 30 10 JEEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(Cn2cncn2)CC1 1760351655 JLRSDXBUYMJXKO-UHFFFAOYSA-N 451.535 2.026 30 10 JEEE C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1760365587 CKFBIOVBRNUUIV-IBGZPJMESA-N 480.960 2.027 30 10 JEEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1760433166 ANQQDPTXTVNCMX-UXHICEINSA-N 472.615 2.409 30 10 JEEE C=CCCOCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1760445574 OPEDRKGTITWFPM-MJGOQNOKSA-N 488.976 2.389 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1ccc(C)o1 1760522375 RWHFKXBJGYFWAQ-SFHVURJKSA-N 474.562 2.427 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@](C)(O)c2cc(C)oc2C)C1 1760541988 IZHYXIHWEQPLIP-SVMVAKDDSA-N 464.588 2.079 30 10 JEEE CCN(CC)C(=O)CN1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCOC2)CC1 1766563231 BUOMHUFYPABMAH-NRFANRHFSA-N 465.602 2.234 30 10 JEEE CS(=O)(=O)N1CCO[C@H](c2nnc(N(CCC#N)CC3CC3)n2Cc2ccc(F)cc2F)C1 1771360319 BNFDDNZYKYAXLZ-IBGZPJMESA-N 480.541 2.068 30 10 JEEE C#CCOC(=O)NS(=O)(=O)c1ccc(CCNC(=O)/C=C/c2cc(OC)ccc2OC)cc1 1859010820 XDDZQUAKIVNPGR-KPKJPENVSA-N 472.519 2.124 30 10 JEEE CC(C)(C)c1ccc(S(=O)(=O)CCC(=O)N[C@@H](CO)C(=O)Nc2cccc(C#N)c2)cc1 1866812980 MFQVZGIQQHSOON-FQEVSTJZSA-N 457.552 2.135 30 10 JEEE CCOC(=O)CN(C)C(=O)[C@H](CCSC)NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1 1868781877 BRMXYCCOTSXGMV-ROUUACIJSA-N 480.656 2.284 30 10 JEEE C=CCn1cc(OCC(=O)Nc2ccc(C)cc2C)c(=O)cc1CN1CCC(C(N)=O)CC1 1870335172 LNPWOFAEEYQALZ-UHFFFAOYSA-N 452.555 2.366 30 10 JEEE CN[C@@](C#N)(Cn1c(C)nc(I)c1I)C1CC1 1941556875 RSRHQHFCWOZFCU-NSHDSACASA-N 456.069 2.293 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CO)CNC(=O)c1cc(Cl)cc(B2OC(C)(C)C(C)(C)O2)c1 2255544237 WEMOKUWCECXXLM-MRXNPFEDSA-N 454.760 2.255 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1COCCN1C(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2255704530 JCZBKGITTXXKNB-CQSZACIVSA-N 452.382 2.413 30 10 JEEE CCON(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1)C1CN(C(=O)OC(C)(C)C)C1 2255836145 UKAIOFFIXLQZSK-UHFFFAOYSA-N 453.370 2.455 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CC1CCC1)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2256669896 WSBARXMZQILMSW-ZDUSSCGKSA-N 452.386 2.281 30 10 JEEE CC(C)(C)OC(=O)NCCOCCNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2266981691 FDBOPHOFDMMGPT-UHFFFAOYSA-N 452.332 2.396 30 10 JEEE C[C@@H]1C[C@H](NC(=O)C(F)(F)F)CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2267410092 DYLQTTVWMPODLS-NEPJUHHUSA-N 482.355 2.125 30 10 JEEE CC(C)(C)OC(=O)N1CCC(CO)(NC(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)CC1 2267558616 DRQWOIIIHBGCIK-UHFFFAOYSA-N 450.341 2.071 30 10 JEEE CC(C)(C)OC(=O)NCCN(CC(F)F)C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267882439 SKQPIMFENZRWCP-UHFFFAOYSA-N 456.299 2.008 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(CNC(=O)[C@H]2C[C@@H](O)CN2C(=O)OC(C)(C)C)s1 2268630452 KTCDBLHTUQIMLG-GDBMZVCRSA-N 466.409 2.342 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)C1CC(F)(F)C1 2268681423 RRMYXLYBPDYSAT-LLVKDONJSA-N 474.339 2.136 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H](C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C1 2268716830 VRJLGDNJZFLNHE-ZIAGYGMSSA-N 467.397 2.131 30 10 JEEE C[C@H]1CN(C(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)C[C@H](C)N(C(=O)OC(C)(C)C)C1 2281979333 CHZAVLRITPYXBT-HOTGVXAUSA-N 462.400 2.437 30 10 JEEE CCn1cc(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)n1 2281991938 HPAQYPWRLQISGG-HWWDLCQESA-N 460.384 2.140 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@]2(C[C@@H](NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)sn3)CO2)C1 2281995671 GAGWWDSJUNQYEH-JLCFBVMHSA-N 479.408 2.341 30 10 JEEE CC(C)(C)OC(=O)N1CC(c2nc(NC(=O)c3ncsc3B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2282018663 ZXXVEJDUMYZAHD-UHFFFAOYSA-N 476.368 2.147 30 10 JEEE C[C@@H](CNC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1)N1CCN(C(=O)OC(C)(C)C)CC1 2282027772 UWCHDEMAPVAGQY-HNNXBMFYSA-N 480.440 2.113 30 10 JEEE Cc1nc(C(=O)N[C@]2(CO)CCCN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2282029662 VPJLHTOFGVGFGC-JOCHJYFZSA-N 481.424 2.243 30 10 JEEE C[C@H]1CN(C(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)C[C@H](C)N(C(=O)OC(C)(C)C)C1 2282066553 KAAQVOUZZQCMST-HOTGVXAUSA-N 462.400 2.437 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O 2282135149 ALACLTQJRDWLLP-APWZRJJASA-N 460.380 2.252 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1C[C@@H]2[C@H](C1)[C@@H]2NC(=O)OC(C)(C)C 2282310023 ODQJGNLPBFOBKC-IZZQQSIFSA-N 478.420 2.438 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@]2(NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2282325440 FEJBPEDEIRMERH-PEBXRYMYSA-N 482.383 2.413 30 10 JEEE C[C@@H]1CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CC[C@H]1NC(=O)C(F)(F)F 2282343880 IDKIQJVFHQHDNL-CZUORRHYSA-N 476.326 2.063 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1COCCN(C(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2F)C1 2282395034 GTKAZLHORRIQKW-HNNXBMFYSA-N 464.343 2.491 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@](CO)(NC(=O)c2c(F)cccc2B2OC(C)(C)C(C)(C)O2)C1 2282479657 VDXYXQVFKDBYBZ-HSZRJFAPSA-N 464.343 2.227 30 10 JEEE Cc1nc(C(=O)N(CCNC(=O)OC(C)(C)C)CCN(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2282515779 WCJUXYVALNHCDC-UHFFFAOYSA-N 482.456 2.279 30 10 JEEE C[C@@H](CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1)N1CCN(C(=O)OC(C)(C)C)CC1 2282603739 KVLXGUMLOFSHKD-HNNXBMFYSA-N 480.440 2.113 30 10 JEEE Cn1nc(C(=O)N2C[C@@H]3CC[C@@H](NC(=O)OC(C)(C)C)[C@H]3C2)cc1B1OC(C)(C)C(C)(C)O1 2282626935 FMRRUSMQXQITMB-HRCADAONSA-N 460.384 2.095 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1NC(=O)[C@@H]1C[C@H](O)CN1C(=O)OC(C)(C)C 2283953816 XWFUIXJROKHIEN-RDJZCZTQSA-N 462.352 2.303 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C 2283953817 XWFUIXJROKHIEN-WBVHZDCISA-N 462.352 2.303 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CN(c3ncc(B4OC(C)(C)C(C)(C)O4)cc3F)C[C@H]2[C@@H]1CO 2284350125 IQZBTJUWRLBFNQ-LESCRADOSA-N 463.359 2.184 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CS(C)(=O)=O)C(=O)N1CCC[C@H](B2OC(C)(C)C(C)(C)O2)C1 2313961834 BRWVOKILPLWLFO-LSDHHAIUSA-N 460.402 2.009 30 10 JEEE CC(C)(C)N1C[C@@H](c2nnc(SCCCO)n2N=Cc2ccc(O)c([N+](=O)[O-])c2)CC1=O 2327889243 AWFAJWAYDZTFPE-AWEZNQCLSA-N 462.532 2.363 30 10 JEEE COCCc1nnc(SCC(=O)NCc2ccccc2)n1N=Cc1ccccc1C(=O)O 2331311149 WPSNMOWLYYIQBI-UHFFFAOYSA-N 453.524 2.456 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC=CCC12CN(C(=O)OC(C)(C)C)C2 2362351340 CZYPQKVJSJRDNX-UHFFFAOYSA-N 458.368 2.111 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2C)n1C 2362487914 RBJCZHFWXWKHDG-GDBMZVCRSA-N 462.400 2.403 30 10 JEEE CC#CCN(CC(=O)Nc1ccc(S(N)(=O)=O)cc1Br)C(=O)OC(C)(C)C 2363120917 HEXHODLJKYUYDP-UHFFFAOYSA-N 460.350 2.295 30 10 JEEE COc1ccc(/C(C)=N\Nc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])c(O)c1 9138498 LVKINKMTZUKKLT-MOSHPQCFSA-N 450.473 2.166 30 10 JEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OCC2CC2)c(=O)n1-c1ccccc1 516830879 SMJKPUXXHLRWNF-UHFFFAOYSA-N 457.555 2.493 30 10 JEEE C#CCn1nc(CNC(=O)[C@@H]2CC(=O)N(c3cccc(Br)c3)C2)c2ccccc2c1=O 585170425 DLDPNQHVUSZJSU-OAHLLOKOSA-N 479.334 2.462 30 10 JEEE COc1ccc(N2NOC(=O)/C2=C/C(=NC(=O)c2ccccc2)C(=O)N2C[C@H](C)O[C@H](C)C2)cc1 585673603 JXQFMGVDTMHNDC-DIIRBPBUSA-N 478.505 2.279 30 10 JEEE C#CCN(C(=O)c1cccc(S(=O)(=O)N2c3ccccc3C[C@@H]2C)c1)[C@H]1CCS(=O)(=O)C1 729331434 OVZPMJZLTCTMEV-PXNSSMCTSA-N 472.588 2.089 30 10 JEEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccc2c(c1)OCCO2 729669368 MQPYUHCPOTUNEL-INIZCTEOSA-N 486.553 2.436 30 10 JEEE C=CCNC(=O)c1ccccc1NC(=O)CN1C(=O)N[C@](C)(c2cc(C)ccc2OC)C1=O 1124510747 RDZUFHKZRZHKCN-XMMPIXPASA-N 450.495 2.325 30 10 JEEE C#CC[C@@H](CCOC)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 1131709439 QTZQAZJDLLZOMH-RDJZCZTQSA-N 457.390 2.394 30 10 JEEE CC(=O)c1cccc(S(=O)(=O)NCC(=O)N[C@@H](C#N)c2ccc(Br)cc2)c1 1141444889 BVJOBUPEKPWHPA-KRWDZBQOSA-N 450.314 2.311 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(C(N)=O)CCCC1 1286296857 RWRGHJJRYAIPCU-DLBZAZTESA-N 460.579 2.090 30 10 JEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 1286325557 YZLDPELWPJFUMV-ICSRJNTNSA-N 463.648 2.361 30 10 JEEE C#CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1286344719 ITJOUWFNCBZKBG-UHFFFAOYSA-N 450.934 2.227 30 10 JEEE C#CCN(c1nnc(-c2cc(C)nc3ccccc23)n1CC(C)(C)C(=O)NC)[C@H]1CCS(=O)(=O)C1 1286383990 ONZXCJQXFFCWER-SFHVURJKSA-N 494.621 2.201 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccc(CN2CCCC2=O)cc1)[C@@H]1CCS(=O)(=O)C1 1286385245 LSNZAJQHFOFYFM-OAQYLSRUSA-N 483.638 2.373 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H]1CCCCC1(F)F)[C@H]1CCS(=O)(=O)C1 1286390226 YTWUVUAYWZCLLG-CVEARBPZSA-N 450.515 2.187 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1C[C@@H](CC)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1286393584 QVXAYFHXPDIQBM-QZTJIDSGSA-N 465.620 2.161 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC1(CCOC)CCCC1)[C@@H]1CCS(=O)(=O)C1 1286393667 MAVHMGDBZAHDFH-RTBURBONSA-N 450.605 2.006 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@H](C)c1nccs1)[C@H]1CCS(=O)(=O)C1 1286395963 UQLGBVMTUMZRLD-WMZOPIPTSA-N 456.597 2.151 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCCNC(=O)OC(C)(C)C)CC1 1286489772 DUGZKGBYOMMFIM-UHFFFAOYSA-N 455.563 2.154 30 10 JEEE C=C(Cl)Cn1c(-c2ccc[nH]2)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1286624991 GGOOBVDGDYQBJN-BMFZPTHFSA-N 482.994 2.152 30 10 JEEE C=CC1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CCS(=O)(=O)CC)CC1 1286661611 HZFFWEQZLHSKKG-UHFFFAOYSA-N 466.633 2.075 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC(NC(=O)NC2CCCCC2)CC1 1286786054 WBKHRUDVBMXYFS-UHFFFAOYSA-N 468.606 2.187 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1286821210 DFUYYTVPMOBBLI-AZUAARDMSA-N 459.616 2.151 30 10 JEEE C=CCSCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1286826009 UESSLUVXOCXHMM-INIZCTEOSA-N 453.515 2.417 30 10 JEEE C=CCOC[C@@H](NC(=O)CC[C@H]1NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O)C(=O)OC 1297029385 GNXUYZXSTZJNQC-HUUCEWRRSA-N 458.298 2.059 30 10 JEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@](C)(c2ccccc2)C1 1300363737 FWAOPIIJAWDYIJ-ZJSXRUAMSA-N 487.626 2.167 30 10 JEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN([C@@H](C)c2cccc(OC)c2)CC1 1300383857 ILFOHIIVSZXPRK-OALUTQOASA-N 474.631 2.194 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCOC)[C@H]1CCS(=O)(=O)C1 1300496957 WTNXPFLZECIYIH-MOPGFXCFSA-N 495.646 2.056 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H](C)COC)[C@@H]1CCS(=O)(=O)C1 1300504344 MKTNGFVWAUHYMH-OTWHNJEPSA-N 495.646 2.259 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1CCCCN1CCC[C@@H]1CO 1300579831 XNFWETYHTJQJDJ-HXUWFJFHSA-N 473.581 2.294 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2CCCCN2CCN(CC)CC2)CC1 1300718897 IGOZONOCVVYUFY-UHFFFAOYSA-N 495.647 2.468 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(OC)c(Cl)c2)CC1 1300719540 GCECMUMXVRXADZ-UHFFFAOYSA-N 465.945 2.411 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2Cc2csc([C@H](C)OC)n2)CC1 1300732023 JUUNPDSDWQKIOL-MAUKXSAKSA-N 458.588 2.308 30 10 JEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2ccccc2C)C1 1300732717 DPUPTLOETWRWLK-IEBWSBKVSA-N 463.629 2.141 30 10 JEEE C#CCSCCn1c(N2CCN(Cc3cscn3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1300777732 BLMMPIOTJLUABT-QFIPXVFZSA-N 476.672 2.464 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1300848146 BDBCFIRETJGDHM-MRXNPFEDSA-N 499.435 2.016 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1300890258 GFOQWFSYCLHAIE-ZWOKBUDYSA-N 493.655 2.264 30 10 JEEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)[C@@H]1C[C@@H](OCC)C1(C)C 1301496691 FONWBANROHRKKU-QZTJIDSGSA-N 489.646 2.180 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC(Oc3cc(C)ccn3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1301518561 IVLSECSVTNJACU-RUZDIDTESA-N 484.601 2.372 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N(C)CCN1CCOCC1 1301577386 NMGVASISANUMNB-UHFFFAOYSA-N 471.986 2.107 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(OC)cc2)nnc1N1C[C@H]2CCCN2C[C@H]1C 1301592713 CYIUCGLMZBEFBT-RTBURBONSA-N 475.615 2.139 30 10 JEEE CC(C)(C)C(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCSC2)CC1 1302000026 DTLNLWALVMFTDH-QHCPKHFHSA-N 454.600 2.379 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1Cc1cccc(Cl)c1 1303404803 CFXUERLRTPWBEY-INIZCTEOSA-N 479.976 2.495 30 10 JEEE Cc1nc(N2CCOCC2)sc1-c1nnc(N(C)C[C@@H](C)C#N)n1CCC(=O)NC(C)C 1304057821 DCCOAOFMBMYXBX-HNNXBMFYSA-N 460.608 2.057 30 10 JEEE C#C[C@H](C)N(C)c1nnc(Cc2csc(C)n2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1358894517 QFNJUHNOXPVYOE-WDYCEAGBSA-N 462.645 2.296 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1Cc1c(CC)noc1C)[C@@H]1CCS(=O)(=O)C1 1358965141 OPJXKLSJAMYTQN-QGZVFWFLSA-N 474.612 2.168 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CC[C@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1358966548 RJVWFGXMKKKQOM-LEWJYISDSA-N 483.594 2.315 30 10 JEEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1CC1(O)CCCC1)[C@H]1CCS(=O)(=O)C1 1358966724 VJLZYMNPCGPQBD-FQEVSTJZSA-N 472.611 2.406 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N(C)Cc1ccccc1 1358994414 MZRBUHPJVMWGST-IRLDBZIGSA-N 453.612 2.164 30 10 JEEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1cccc(F)c1 1359058256 XHVFMEGXEUWVDP-VQTJNVASSA-N 493.630 2.458 30 10 JEEE C=C(C)COCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1359134166 MMAHIJWYGBQFJE-QFIPXVFZSA-N 488.583 2.483 30 10 JEEE C=CCC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1359190850 FXOFPHRROUCOFK-SFHVURJKSA-N 454.579 2.215 30 10 JEEE C=CCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1359223737 VCAQGRQKVCHUPJ-UHFFFAOYSA-N 494.577 2.476 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc(Cc2cccnc2)n1CCN1CCCS1(=O)=O 1359258986 IVNRKXYAFMTAGZ-UHFFFAOYSA-N 452.584 2.492 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1359297593 VREKRGTZVPWIOY-UHFFFAOYSA-N 480.491 2.151 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1359302079 WGXKMOURACYJKU-UHFFFAOYSA-N 460.586 2.213 30 10 JEEE CN(C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(C)CCOCC2)CC1)S(C)(=O)=O 1503435561 GDJGHMQCRBCPOI-UHFFFAOYSA-N 472.615 2.494 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc3cccnc23)n1CCS(=O)(=O)N1CCSCC1 1507527088 OGJUTMIYDKXJSL-KRWDZBQOSA-N 470.624 2.330 30 10 JEEE C#CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1507572080 WULCEOAWGGGLTQ-GUDVDZBRSA-N 456.591 2.473 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1CCCCCOC)[C@H]1CCS(=O)(=O)C1 1507628282 WGLLEYDHQKQRIM-KRWDZBQOSA-N 498.447 2.490 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(OC)c(OCC)c2)CC1 1507715920 JZZYLOMZXHIDKV-UHFFFAOYSA-N 475.553 2.136 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccc3)n2C[C@@H]2CCCCS2(=O)=O)n1 1507715943 DUSOUCJWFAPNAJ-QFIPXVFZSA-N 482.610 2.395 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(C)nc4ccccc34)n2CC(=O)N(C)CC)CC1 1507736048 KFMMSUGOMAPOED-UHFFFAOYSA-N 473.581 2.246 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(CCS(C)(=O)=O)C1CC1 1507808600 RDSLJQGQJFDZIJ-NQIIRXRSSA-N 462.620 2.134 30 10 JEEE C=C(C)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CCO[C@H](C(=O)NC)C1 1507824687 FKKCIBHKZOMWFN-INIZCTEOSA-N 450.337 2.244 30 10 JEEE CC(C)[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2ncccn2)CC1 1508848704 BIRMAEWBMZIDCN-DEOSSOPVSA-N 462.558 2.252 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCN1c2ccccc2C[C@@H]1C 1513408070 GXVIBMFMQUVFPS-FXAWDEMLSA-N 451.575 2.376 30 10 JEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1Cc2ccccc2O[C@@H](C)C1 1539071791 DUMCUFGCUPRWBT-RXVVDRJESA-N 473.599 2.202 30 10 JEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(n2ccc(C(F)(F)F)n2)CC1 1539094757 UZHZMLMLGSUPBA-CQSZACIVSA-N 473.525 2.359 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCCc1nnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1539210266 AQRIMRHGFXFMRA-GOSISDBHSA-N 486.623 2.373 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CC[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1539229215 AIILMOZTQMPZFL-PKOBYXMFSA-N 462.547 2.050 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1cccn(CC)c1=O 1539315336 JEJARAMDIBGMDG-UHFFFAOYSA-N 453.506 2.287 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2ccc(F)cc2F)C1 1539517287 LILABPUBQXZUKZ-DNVCBOLYSA-N 482.578 2.403 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(C(=O)CC2CCCCC2)CC1 1540868261 YHKBUKWMGTYDLH-UHFFFAOYSA-N 453.591 2.205 30 10 JEEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1540907583 BNEARLBAYDXSAT-QFIPXVFZSA-N 468.587 2.330 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccccc1Cl 1541115740 DVGQFUYXZGMSDG-CRAIPNDOSA-N 466.995 2.103 30 10 JEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2c(F)cccc2OC)CC1 1587766859 ZPQFGDDPAILCQI-GOSISDBHSA-N 475.590 2.458 30 10 JEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1587823711 WJGFRUNTMKPLDW-DEOSSOPVSA-N 487.626 2.383 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCN1CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1588040225 KASIHFBTYFBLLX-HKUYNNGSSA-N 477.034 2.352 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccnc(SC)c2)CC1 1588750783 FQJNCFLOBYUFHS-QHCPKHFHSA-N 456.616 2.239 30 10 JEEE C#CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](COC)C1 1589070666 VXHPKQRHSOVMIP-ROUUACIJSA-N 465.620 2.426 30 10 JEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C(CC)CC)N2CCOCC2)CC1 1594014210 QGTXUURZHMUYHQ-ICSRJNTNSA-N 468.668 2.182 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@H](c2ccnn2C)C1 1595467789 ZTSGQZNIIAJBTD-SFHVURJKSA-N 497.003 2.281 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC(CNC(C)=O)CC1 1595577015 GFCPAXZAWFIBDU-UHFFFAOYSA-N 454.575 2.129 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 1595812238 PVZQQAICRQCSKN-QGZVFWFLSA-N 453.609 2.182 30 10 JEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1595885038 ZDRZSQONRVNDLQ-QGZVFWFLSA-N 471.649 2.014 30 10 JEEE Cc1cccc(CCCn2c(COc3ccc(C#N)cc3)nnc2N(C)CC(=O)N2CCOCC2)n1 1612221729 FXRXQPQZAXMGRS-UHFFFAOYSA-N 489.580 2.360 30 10 JEEE CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1613067192 BYFWKMIABDNPTK-QGZVFWFLSA-N 451.579 2.213 30 10 JEEE N#Cc1ccc(F)c(CS(=O)(=O)N2CCN(CC(=O)N3CCCc4ccccc43)CC2)c1 1621785633 GBELFKLRLOKTMO-UHFFFAOYSA-N 456.543 2.124 30 10 JEEE C#CCCN(CC(F)(F)F)C(=O)C[C@@H]1CS(=O)(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 1633549172 WMFQSJGBEDFOIU-QLFBSQMISA-N 452.495 2.071 30 10 JEEE CN(C)CCN(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccc(Cl)c(S(C)(=O)=O)c1 1660789135 ALTKNBFXFQEKHO-UHFFFAOYSA-N 455.989 2.368 30 10 JEEE N#Cc1c(Cl)cccc1S(=O)(=O)N1CCN([C@H](C(N)=O)c2ccc(Cl)cc2)CC1 1662705167 CCMJQHFNBJCFOU-SFHVURJKSA-N 453.351 2.398 30 10 JEEE COC(=O)c1cc(NC(=O)N2CCCN(c3ccccc3C#N)CC2)cc(S(C)(=O)=O)c1 1675461629 BTRJGUDNFPGSIC-UHFFFAOYSA-N 456.524 2.493 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1CCc1cc(C(F)(F)F)ccn1)[C@@H]1CCS(=O)(=O)C1 1689987724 BGEDHHXEPRUHFM-QGZVFWFLSA-N 491.499 2.018 30 10 JEEE C#CCN(CC#C)c1nnc(CCc2ccccc2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1690023669 BTVRCSPEKZRGNC-DHIUTWEWSA-N 465.623 2.340 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC[C@@H]1CCOC1 1690037251 ROAGUJASLHPOEB-LJQANCHMSA-N 455.584 2.085 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2Cc2cccc(C(=O)NCCC)c2)CC1 1690141901 DONARKGVXIXYPA-UHFFFAOYSA-N 487.608 2.438 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCS(=O)(=O)CC1 1690238832 OEXTUIYYCVHGDA-JXFKEZNVSA-N 462.572 2.178 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCCN(Cc3noc(C)n3)CC2)cc1 1690678293 REVMCVWRRARDMX-UHFFFAOYSA-N 494.600 2.433 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@](C)(O)c2cccc(Cl)c2)C1 1690686197 KPAGNRSRWMTBOP-KLHJMIIUSA-N 484.022 2.231 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(Cc2cccc(F)c2)CC1 1690723747 AALMNKISLCZEGP-HXUWFJFHSA-N 477.606 2.234 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CC1CCN(Cc2cccs2)CC1 1692542720 GSJATGZAJKDKHS-SFHVURJKSA-N 457.604 2.119 30 10 JEEE Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@](C)(O)c2cccc(Cl)c2)n1 1693428834 CGTNTDLARVBIMS-UGKGYDQZSA-N 455.950 2.430 30 10 JEEE CNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](N2CCOCC2)C(F)(F)F)CC1 1696954447 HUGMWAMCGCINQI-IBGZPJMESA-N 491.518 2.042 30 10 JEEE COCC(C)(C)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1697720452 HCOLBKRVFODBFR-IBGZPJMESA-N 467.574 2.395 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1CCOC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1705562452 CKGBEQGDLLEXRG-YZGWKJHDSA-N 488.610 2.262 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccc(OC)nc1OC 1705591062 DTKRSIKGDQUARY-UHFFFAOYSA-N 479.562 2.272 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(OC)ccc2Br)n1CCNC(=O)c1cc[nH]n1 1705591263 LPCNFHCWGUOCMO-UHFFFAOYSA-N 496.369 2.332 30 10 JEEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1705655361 LPJKHOAHEDQCKR-AZUAARDMSA-N 488.683 2.235 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1705693853 LKMGUDAUSDJNJN-DYXWJJEUSA-N 468.606 2.293 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1705935221 KFIBTYWEUGCUJF-UHFFFAOYSA-N 499.616 2.342 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2OC)nnc1N1CCOC(C)(C)[C@@H]1C 1705937746 CXLNUVWOSHYBJV-KRWDZBQOSA-N 464.588 2.470 30 10 JEEE CC(C)(C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](Cn2cccn2)C1 1706152341 DUCZVYPMQQDFPV-FQEVSTJZSA-N 462.558 2.223 30 10 JEEE COCC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nccn2C(F)F)CC1 1712108258 FQZIBWDREFLWOB-UHFFFAOYSA-N 470.484 2.188 30 10 JEEE CS(=O)(=O)CC1(Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCO[C@H](C#N)C2)CC1 1712695008 GXLXTDZMUHNADR-CQSZACIVSA-N 453.927 2.291 30 10 JEEE C#CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1722316742 MJSLZYYLFVYEON-HSALFYBXSA-N 486.617 2.352 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1Cc1ncccc1N(C)C)[C@H]1CCS(=O)(=O)C1 1722367668 WZTIPARFZAUGPA-FQEVSTJZSA-N 494.621 2.014 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccccc3Br)n2CCS(=O)(=O)CC2CC2)CC1 1722435302 JYHAGDLGOXOFBY-UHFFFAOYSA-N 492.443 2.288 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(CC(F)F)CC1 1722519647 MLNQCOMSJCCYTF-UHFFFAOYSA-N 454.547 2.159 30 10 JEEE C=CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1722607868 MBULBYPINXFHNL-UFYCRDLUSA-N 467.636 2.363 30 10 JEEE C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1722682401 HAQDCYDBJXAHFQ-UHFFFAOYSA-N 462.396 2.356 30 10 JEEE C=CCn1c(COc2ccccc2OC)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1722690832 GFADRVPHDWYNHH-AZUAARDMSA-N 454.575 2.041 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1ccc(Br)s1 1722698391 YRFHLGXWSGHESF-UHFFFAOYSA-N 450.366 2.441 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1722736575 BDCNFASPNFTVAK-ZWKOTPCHSA-N 483.635 2.424 30 10 JEEE CC(C)(C)[S@@](=O)CCn1c(Cc2ccccn2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1723021310 BEROYBJZZZYMEN-UMSFTDKQSA-N 478.626 2.404 30 10 JEEE CSC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC(=O)N(C)C[C@H]2C)CCOCC1 1731067442 FIIVSQIXSJKCMW-QGZVFWFLSA-N 470.599 2.308 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCc1cccc(C(N)=O)c1 1740554357 YKQHADBJWYUMIO-SFHVURJKSA-N 458.570 2.252 30 10 JEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2csc(C(C)(C)C)n2)CC1 1740581041 NRAHTIQROWYLJB-QGZVFWFLSA-N 493.703 2.378 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCOCC(F)(F)C(F)F)[C@H]1CCS(=O)(=O)C1 1740628001 UVLZASZWFFDKLK-LSDHHAIUSA-N 482.500 2.063 30 10 JEEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2Cc2cnn(CCOC)c2)CC1 1740699280 AJYDUMXCNBYOCB-UHFFFAOYSA-N 463.586 2.120 30 10 JEEE C#CCSCCn1c(COc2ccccc2OC)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1740722413 IOMOTHVFPXWRBN-WOJBJXKFSA-N 471.627 2.389 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1740751583 MBOIPRRRKLLSPW-FCEUIQTBSA-N 491.633 2.059 30 10 JEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2c(cccc2OC)C1 1740875837 KVTFTRSFNXMYRV-HXUWFJFHSA-N 461.588 2.149 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(CC)[C@H](C)C1 1740986476 YRHHJVIGUHECOQ-LJQANCHMSA-N 474.631 2.278 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCc2ccc(OC)cc2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1740993643 BDCMGEQWJCACOJ-GOSISDBHSA-N 488.532 2.440 30 10 JEEE C=CCSCCn1c(N2CCC(N3CCNC3=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1741005379 XDXCVPHZOFMKEU-QFIPXVFZSA-N 464.636 2.232 30 10 JEEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@H](C)N1CCN(CC)CC1 1748680368 REFMGBSXXPWZLM-DQEYMECFSA-N 492.716 2.127 30 10 JEEE C#CCCCn1c(Cc2csc(C)n2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1748755274 IQOYLNYAXMYBQA-UHFFFAOYSA-N 457.648 2.428 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCN(C)[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1748808111 ICDYKIATQRLBSO-XLIONFOSSA-N 474.587 2.210 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1c[nH]c2cc(C)ccc12 1748863979 MITKKMJOPHENOV-SFHVURJKSA-N 452.584 2.384 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(C)cc2OCC2CC2)CC1 1748971147 FGVVKTZOESCWOQ-UHFFFAOYSA-N 450.587 2.317 30 10 JEEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](CC)Oc2ccccc2F)CC1 1748995182 ZEOPLJKLLYANSB-IBGZPJMESA-N 454.550 2.152 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCCN2CCC(C)CC2)CC1 1749019941 GNBJRFQCKPQQIQ-GOTSBHOMSA-N 486.661 2.090 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CCC 1749132129 YVSLPVJKZGMVLX-MANSERQUSA-N 455.625 2.217 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCC(OCC(N)=O)CC1 1749133271 JSNVATNKBLTFFI-IIBYNOLFSA-N 460.604 2.086 30 10 JEEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)c2ccc(C)cc2)CC1 1749210675 MDHRGLGFFHVKBJ-UHFFFAOYSA-N 454.575 2.280 30 10 JEEE C=C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCNS(=O)(=O)c2ccccc2)CC1 1749292018 NLBQCKSTYFNDTF-HSZRJFAPSA-N 475.615 2.454 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H]1CCOC1 1749547654 VOEPANOBFSMNDQ-RXVVDRJESA-N 493.605 2.369 30 10 JEEE C=CCNC(=O)Cn1c(N2CCO[C@H](c3ccc(F)cc3F)C2)nnc1[C@]1(OCC)CCOC1 1749681875 KBOAOJPRNKQYMZ-CVDCTZTESA-N 477.512 2.089 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc3ccccc3o2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1749725432 UKTVTFRNZVSPDP-JOCHJYFZSA-N 457.556 2.255 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Br)nnc1N1CCC[C@H](NC(C)=O)C1 1749729876 VAWPVUPOQPUSOL-INIZCTEOSA-N 496.431 2.413 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@@]1(O)CCS(=O)(=O)C1 1760123504 GXPKTFQSSZGDIG-YJYMSZOUSA-N 473.382 2.171 30 10 JEEE C#CCCCn1c(-c2ccccc2Br)nnc1N1CCN(CC(=O)N(C)C)CC1 1760151021 RPRHWELEUWIHNG-UHFFFAOYSA-N 459.392 2.331 30 10 JEEE C#CCN(c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@]1(O)CCOC1)[C@@H]1CCS(=O)(=O)C1 1760183861 RUQVMKNTHCNCNI-YKSBVNFPSA-N 472.611 2.021 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1ccc(C(C)(C)O)cc1)[C@H]1CCS(=O)(=O)C1 1760189918 ROUAIIOGXWEASI-IBGZPJMESA-N 453.568 2.176 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCc1nc(C)no1 1760213070 OSOAAYNGQDYNDZ-UHFFFAOYSA-N 452.540 2.136 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccnc3)n2C[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 1760258507 YSAGDRGIDWKCRT-FQEVSTJZSA-N 451.575 2.495 30 10 JEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccc(OC)c(F)c2)CC1 1760281225 PFPRSCHDMXBJBU-LJQANCHMSA-N 472.590 2.066 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(=O)N1CCOCC1 1760493433 DUKRNHRWEBEKEF-LJQANCHMSA-N 474.606 2.430 30 10 JEEE C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1760507092 GBDQSWYDOCYKHZ-UHFFFAOYSA-N 475.351 2.279 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCNc2nccc(C(F)(F)F)n2)C1 1760545666 ZCOWHPQAXLEPGE-OAHLLOKOSA-N 463.468 2.381 30 10 JEEE Cc1cc(C)n(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@H]2CCN(CC(F)(F)F)C2)n1 1762439877 BOKNEYZIKKQBJW-VQIMIIECSA-N 454.476 2.466 30 10 JEEE C[C@H]1CCCN1CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1762937225 GBAWKGOHYIZRSI-AZUAARDMSA-N 471.631 2.067 30 10 JEEE CCCS(=O)(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2cccn2)CC1 1766335951 HKBWFWQVQUOFIK-UHFFFAOYSA-N 482.614 2.402 30 10 JEEE COc1ccc(CCN2C[C@H](C(=O)Nc3c(C#N)nnn3-c3ccc(F)c(F)c3)CC2=O)cc1OC 1870149773 PBJSVGYEYXSVTA-OAHLLOKOSA-N 496.474 2.464 30 10 JEEE C=CCN=c1nc(Nc2ccc(I)cc2)[nH]c(N2CCC(O)CC2)n1 1871703538 DKJRYXFGGBZFBB-UHFFFAOYSA-N 452.300 2.201 30 10 JEEE 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(C)(C)C 2080929549 HXGHTSDXWQXJSF-PMPSAXMXSA-N 454.568 2.258 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N[C@@H]2CCOC[C@@H]2NC(=O)OCc2ccccc2)C1 2247564428 HXFJZMCSUXUIBL-UIMQCXHPSA-N 471.554 2.493 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1CC(NC(=O)OCc2ccccc2)C1 2255625679 VLYLCOCOORBGLQ-UHFFFAOYSA-N 468.363 2.389 30 10 JEEE CN(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)[C@@H]1CCN(C(=O)OCc2ccccc2)C1 2255648355 KWUNBLKDSSNFHL-GOSISDBHSA-N 468.363 2.202 30 10 JEEE CN(C(=O)OC(C)(C)C)[C@H](CC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)C(F)F 2256637962 XMWTUWKWILYMQQ-SNVBAGLBSA-N 462.328 2.088 30 10 JEEE C[C@@H]1C[C@H](CC(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)CN1C(=O)OC(C)(C)C 2257829533 ANSRNOTZRABZNC-CHWSQXEVSA-N 452.386 2.233 30 10 JEEE CC(C)(C)OC(=O)NCC1(O)CN(C(=O)c2ccc(Cl)cc2B2OC(C)(C)C(C)(C)O2)C1 2267009643 PMSMPIDWGLMDNP-UHFFFAOYSA-N 466.771 2.351 30 10 JEEE CC(C)C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2267129826 GTAPIYIIPAWWAW-HNNXBMFYSA-N 450.389 2.389 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCOC[C@H]1NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2267417358 BZFPGSVYGKIAPZ-LSDHHAIUSA-N 488.437 2.008 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCCN(S(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2267474658 YNXIPXKBBHOWSD-CQSZACIVSA-N 487.453 2.261 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1CCO 2267479117 IAFJJJSYIHKEKU-HNNXBMFYSA-N 466.409 2.491 30 10 JEEE C[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 2267500441 JAPVKIVRPCTJIV-CHWSQXEVSA-N 468.791 2.358 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)CCCO1 2267535234 UJCVEPUAWDUBCX-CQSZACIVSA-N 467.397 2.198 30 10 JEEE CC(C)(C)OC(=O)N1CC(CNS(=O)(=O)c2ccc(F)cc2B2OC(C)(C)C(C)(C)O2)C1 2267708733 PJTRXTNAZHYQGZ-UHFFFAOYSA-N 470.372 2.270 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1CCCN1S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2267714836 NXCYWXMFEQLACC-INIZCTEOSA-N 467.397 2.059 30 10 JEEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)[C@H]2C[C@@H]21 2267718226 PXLCOWVQLPTTAH-ROUUACIJSA-N 464.393 2.368 30 10 JEEE CC(C)(C)OC(=O)NC1(C(=O)Nc2ccc(F)c(F)c2B2OC(C)(C)C(C)(C)O2)COC1 2268720222 RHRXBCIUOFLYCV-UHFFFAOYSA-N 454.279 2.496 30 10 JEEE CO[C@@H]1[C@H](OC)CN(C(=O)OC(C)(C)C)[C@@H]1CNc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2281493238 OWLYOXXLOIUWFU-MDZRGWNJSA-N 463.384 2.442 30 10 JEEE 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)sn2)C1 2281995824 HXTDXTGWAICHHU-TZMCWYRMSA-N 481.380 2.025 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@@](F)(CNC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C1 2281999204 CDYYMCJSQFTGSU-OAQYLSRUSA-N 485.387 2.148 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CSCCN(C(=O)OC(C)(C)C)C1 2282004677 LBJKPDBBVZVNIY-OAHLLOKOSA-N 480.440 2.110 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@]2(CNC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2282172336 VNTOSAVMNWEJCT-NPMXOYFQSA-N 458.368 2.153 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCO[C@H]2[C@@H]1NC(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2282175034 IUUOZLZQZLNBAI-WJFTUGDTSA-N 458.364 2.396 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1C[C@H]2[C@H](NC(=O)OC(C)(C)C)[C@H]2C1 2282310022 ODQJGNLPBFOBKC-DZFIZOCASA-N 478.420 2.438 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CCN(S(=O)(=O)c3cncc(B4OC(C)(C)C(C)(C)O4)c3)[C@@H]2C1 2282416984 DKOCSUQKLMJODX-MAUKXSAKSA-N 479.408 2.011 30 10 JEEE CC(C)(C)OC(=O)NC1[C@@H]2CN(S(=O)(=O)c3ccc(F)cc3B3OC(C)(C)C(C)(C)O3)C[C@@H]12 2282501890 CWCDIUVZHKJSKW-HUUCEWRRSA-N 482.383 2.269 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCc1ccc(NC(=O)C(F)(F)F)cc1 2282540632 MJWXEHXAWVJROB-UHFFFAOYSA-N 452.242 2.150 30 10 JEEE CCc1nn(C)c(C(=O)N[C@@]23C[C@@H]2CN(C(=O)OC(C)(C)C)C3)c1B1OC(C)(C)C(C)(C)O1 2282558651 KGSTYRCZIJEBJU-QKFKETGDSA-N 460.384 2.021 30 10 JEEE CN(C[C@@H](O)COCc1ccccc1)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2282828478 OYENXEYRNCKEFJ-LJQANCHMSA-N 479.379 2.323 30 10 JEEE CC(C)(C)OC(=O)N1[C@H](C(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)C[C@@H]2OCC[C@@H]21 2283953497 TZUJYFFCQATQJR-ULQDDVLXSA-N 459.352 2.486 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@@H](C(=O)N3CCC(=CB4OC(C)(C)C(C)(C)O4)C3)O[C@@H]2C1 2284118409 KDKKRHIXQWZPTF-KSZLIROESA-N 464.368 2.180 30 10 JEEE CC1(C)OB(c2ccc(C(=O)N[C@]3(C(=O)O)CCN(Cc4ccccc4)C3)cc2)OC1(C)C 2284434952 GTKPGOSCJCEXEA-RUZDIDTESA-N 450.344 2.445 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F)C1COC1 2285180509 IJQXUZXLLZKFRR-GOSISDBHSA-N 464.343 2.281 30 10 JEEE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1[C@H]2CSC[C@H]1CC(=NO)C2 2285756543 AGGHLJZBGYOHCY-HZPDHXFCSA-N 451.570 2.193 30 10 JEEE O=C(C=Cc1ccco1)C1=C(O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccc([N+](=O)[O-])cc1 2314522721 VIWHMVQBUHFBFY-OAQYLSRUSA-N 453.451 2.498 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(C)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C 2362332097 LJCUFFOEEUHXLP-MRXNPFEDSA-N 462.400 2.499 30 10 JEEE COc1ccc(CCNC(=O)c2ccc(/N=C3\N[C@H]4CS(=O)(=O)C[C@@H]4S3)cc2)cc1OC 9524424 GCRAPGVMIIQFDZ-PXNSSMCTSA-N 475.592 2.166 30 10 JEEE C=CCNC(=O)[C@@H](NC(=O)c1ccc2c(c1)OCO2)C1CCN(C(=O)c2ccc(OC)cc2)CC1 36211643 YFTBJEIKWSNZLC-QHCPKHFHSA-N 479.533 2.377 30 10 JEEE COc1ccc([C@@H]2c3c(nc(NCc4ccc5c(c4)OCCO5)[nH]c3=O)NC(=O)[C@@H]2C#N)cc1 72472554 XKRGCMKGCOVOBZ-APWZRJJASA-N 459.462 2.386 30 10 JEEE CCc1ccc(-n2c(=C(C#N)C(=O)N3CCCC3)sc(=Cc3cnn4ccccc34)c2=O)cc1 729668934 VZCNJJIOJQYZSG-UHFFFAOYSA-N 469.570 2.235 30 10 JEEE COC(=O)c1ccc(C=NNc2nnc(SCCC(=O)NCc3ccccc3OC)n2N)cc1 1084286270 ISGKTWQXXYNTIT-UHFFFAOYSA-N 483.554 2.032 30 10 JEEE COc1cc(CNC(=O)CSc2n[nH]c(NN=Cc3c(C)nn(C)c3C)n2)cc(OC)c1 1084383691 IZRFYUWMVAEBGR-UHFFFAOYSA-N 458.548 2.027 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(C(N)=O)cc1 1286296708 RDRXHGCFWBCWPS-QFBILLFUSA-N 468.558 2.192 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2CCCO[C@@H]2CCOC2)c1 1286312589 YNUGNWOEBLYRGT-TZIWHRDSSA-N 453.543 2.034 30 10 JEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(S(=O)(=O)CC)CC1 1286340018 SLXJXICAJDAITD-UHFFFAOYSA-N 464.613 2.166 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H]1CCCN(CC(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1286386920 JWGIEMHIBWIXMJ-VQTJNVASSA-N 458.632 2.268 30 10 JEEE C#CCN(c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(C)(C)CC)[C@@H]1CCS(=O)(=O)C1 1286389295 HRZBASZWWYJRNC-QGZVFWFLSA-N 482.610 2.255 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@](C)(O)C(C)C 1286454245 HXCSIGJISPGZSJ-IERDGZPVSA-N 451.568 2.074 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2C[C@@H](C)N2CCN(CC)CC2)CC1 1286493208 FISWWAZIGJEWLC-OAQYLSRUSA-N 469.678 2.003 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Cl)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1286527132 BMVVLXONCXOOEC-NHCUHLMSSA-N 464.975 2.052 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1286565874 QFKFJTPEDHJGNG-KNBMTAEXSA-N 480.660 2.085 30 10 JEEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC(NS(C)(=O)=O)CC1 1286774827 KNVIHFHUVIARFS-UHFFFAOYSA-N 468.624 2.097 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1286778763 AQHJSHKQFBRSKQ-ROUUACIJSA-N 476.375 2.394 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)Cc1cn(C)nc1C(F)(F)F 1286783816 MTKGFOVQVIVYGE-UHFFFAOYSA-N 491.474 2.407 30 10 JEEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1286791272 XHJQCPBXUHMKOC-UHFFFAOYSA-N 452.603 2.450 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1286794130 XQSGQDKNQYDQRQ-DMUMMCEESA-N 492.621 2.044 30 10 JEEE C=CCS(=O)(=O)CCn1c(CSc2ccc(C)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1286822206 AHRVXGOYYULKDF-SFHVURJKSA-N 484.669 2.103 30 10 JEEE CC(C)NC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(Cn2cccn2)CC1 1288247509 ANNGLBOYZRVXBB-UHFFFAOYSA-N 462.558 2.366 30 10 JEEE CCO[C@@H](CCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(C#N)cn2)CC1)C(C)C 1296503431 CEGLVMYCUTXJIM-NRFANRHFSA-N 480.617 2.445 30 10 JEEE C#CCN(c1nnc(COCC)n1Cc1ccc(N2CCCCCC2)nc1)[C@@H]1CCS(=O)(=O)C1 1300503570 DROCSWNHELMWCV-OAQYLSRUSA-N 486.642 2.265 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H](C)Oc1ccccc1)[C@H]1CCS(=O)(=O)C1 1300506081 MDOVZFGMQKGVFH-AQCRLBJHSA-N 488.610 2.096 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(OC)cc(OC)c2)n1CCn1cc([C@H]2CCOC2)cn1 1300512291 VAQAGBGAKXHVNI-IBGZPJMESA-N 460.538 2.436 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(Cl)cc1OC 1300806507 XKMOHRNBOAZVNO-SIKLNZKXSA-N 494.017 2.313 30 10 JEEE C=C(Br)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCN(CCOC)CC1 1300852703 CLDYNJXTNSWOFO-UHFFFAOYSA-N 460.380 2.194 30 10 JEEE C=C(C)COCCn1c(-c2cc(Br)cn2C)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1300974867 OJKXJHSGFRZUSK-GDBMZVCRSA-N 463.380 2.354 30 10 JEEE C=CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C(C)=O)CC1 1301175447 BSQRXAYGRPQPFJ-UHFFFAOYSA-N 460.604 2.220 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@](C)(C(N)=O)C1 1301529667 KZCODLNEARTWDH-XMMPIXPASA-N 461.526 2.240 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCC[C@H](NC(=O)OCC)C1 1301586754 ISOCWUQZCPNERC-SFHVURJKSA-N 479.578 2.324 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1301587601 VTODIWPNSAGMNY-MRXNPFEDSA-N 496.659 2.338 30 10 JEEE C#CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@](C)(C(N)=O)C1 1358913807 YSOMBWKOKCKBCY-UZUQRXQVSA-N 460.579 2.092 30 10 JEEE C#CCCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1358932647 RBKJBYBYXLQORO-UHFFFAOYSA-N 469.615 2.228 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1CCOc1ncccc1Cl)[C@H]1CCS(=O)(=O)C1 1358964202 VKYNTBQVGHJXLS-INIZCTEOSA-N 451.980 2.231 30 10 JEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1Cc1cc(Cl)c2c(c1)OCCO2 1358997132 FZJJUGCJRXJKJG-UHFFFAOYSA-N 453.930 2.336 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)CC1 1359036797 JNGILZCBXDHJRE-IBGZPJMESA-N 453.591 2.275 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2CCc2nnc(C)s2)CC1 1359042970 BCZIKIGFXIRHSM-UHFFFAOYSA-N 465.583 2.322 30 10 JEEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 1359130912 AXCNGLSWPRYLRK-UHFFFAOYSA-N 464.574 2.032 30 10 JEEE C=C(Cl)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1359146215 RASZBRIBNVCBAV-KRWDZBQOSA-N 455.954 2.414 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCC(=O)N2)n1CC1(S(C)(=O)=O)CCCC1 1359277381 KPQOMVMIEHQSIR-GOSISDBHSA-N 461.588 2.415 30 10 JEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1cccc(F)c1)C[C@@H]1CCCO1 1359287671 PYWNBQAVDOQLBB-PMACEKPBSA-N 479.578 2.122 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1359328844 PNGACZYPSDGIBI-VGOFRKELSA-N 491.570 2.228 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](Oc2ccccn2)C1 1359329128 ZMTODVOKKHDCEM-FQEVSTJZSA-N 464.551 2.470 30 10 JEEE C=CCONC(=O)C1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])CC1 1468107567 PBYPKJBPVLXRIY-UHFFFAOYSA-N 452.533 2.220 30 10 JEEE CN(C[C@@]1(O)CCc2ccccc21)C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1469320363 FWGZCJIFVBKRQP-DEOSSOPVSA-N 453.564 2.251 30 10 JEEE CCOc1ncccc1Cn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1502925116 CIPABNHUEIGJDW-UHFFFAOYSA-N 488.596 2.452 30 10 JEEE COc1ccccc1SCc1nnc(N(C)[C@@H](C)CC#N)n1CC1(O)CCS(=O)(=O)CC1 1504441764 BNGVGZGQZRGNIP-INIZCTEOSA-N 479.628 2.257 30 10 JEEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1507594183 ZMVKMGGNQLTAAQ-UHFFFAOYSA-N 451.497 2.448 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Cl)n1CCC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1507627622 FDUOJFUHSAXUIM-INIZCTEOSA-N 463.991 2.140 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@](C)(OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1507628125 NEXVOJXZBRCTMA-UWJYYQICSA-N 463.991 2.435 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1cc(C(C)(C)C)no1)[C@H]1CCS(=O)(=O)C1 1507634445 KJSUQCWHLGDUNU-SFHVURJKSA-N 468.583 2.224 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2cc(Cl)c(OC)c(OC)c2)CC1 1507718940 IINBGBJDORYEGV-DEOSSOPVSA-N 490.004 2.404 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(I)cc2)CC1 1507732783 XRKSTIFIMOEZRT-QGZVFWFLSA-N 477.350 2.190 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nccn2C(F)F)CC1 1507734252 JZKPOHYXQWXMKG-UHFFFAOYSA-N 464.480 2.422 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H]2CCCO2)CC1 1507734853 ACPVTVBHMKYUQP-LJQANCHMSA-N 453.543 2.107 30 10 JEEE C#CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1507748869 UZAYZFHOFRPCTA-FQEVSTJZSA-N 455.584 2.148 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1507791034 GXUSTLFYJRXZKR-FPOVZHCZSA-N 482.585 2.066 30 10 JEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2c(CC)nn(C)c2Cl)CC1 1507843648 PPZFFXTVVIETNK-LJQANCHMSA-N 491.040 2.093 30 10 JEEE C=C(C)COCCn1c(N2CCN(S(C)(=O)=O)CC2)nnc1C1(c2ccccc2)CCC1 1507849612 ZNZAYYBFEODLBI-UHFFFAOYSA-N 459.616 2.422 30 10 JEEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1507953909 JMGMHCZIKGBHMK-FQEVSTJZSA-N 464.680 2.141 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCN(c2cccc(C)c2)CC1 1508143090 DMTGCOJHVDNBOI-UHFFFAOYSA-N 466.611 2.500 30 10 JEEE C=CCN1CC[C@@H](N(C)C(=O)c2csc(S(=O)(=O)N3CCc4ccccc4C3)c2)C1=O 1519602370 CBSPEGSNFGSTGL-LJQANCHMSA-N 459.593 2.354 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 1524836392 WGEFDTFQXNOEBF-YLJYHZDGSA-N 451.545 2.401 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2CCNC(=O)c2ccc(C)c(F)c2)CC1 1539446540 FMIUSYUOMYZFOD-OAQYLSRUSA-N 454.550 2.152 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H]1C[C@H](OCC)C12CCC2 1539517122 IWKWPRHBKQRYOJ-KURKYZTESA-N 452.646 2.331 30 10 JEEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1539520198 PRHJGQVSIOXIET-UHFFFAOYSA-N 496.662 2.450 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1539902479 IFYRBRQFRHALTC-HZPDHXFCSA-N 456.613 2.206 30 10 JEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Cc1ccc(OC)cc1 1540071889 IITNZBYMBCMFQS-FXAWDEMLSA-N 463.604 2.121 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCS1 1540188058 ZVRXFQAXCCILAS-MOPGFXCFSA-N 481.644 2.335 30 10 JEEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@](O)(c2cccc(F)c2)C1 1540909861 QVCUREGVBVZUET-MGPUTAFESA-N 469.608 2.045 30 10 JEEE C#CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1587826973 ACCPGEOQKKBVOH-UHFFFAOYSA-N 499.413 2.357 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1CCN(C(C)C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1588045787 QNPWWCOUDWLKNX-HXUWFJFHSA-N 487.626 2.419 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1cc(F)ccc1SC)[C@@H]1CCS(=O)(=O)C1 1588050123 PCOWHYCOFDOCGH-GOSISDBHSA-N 474.587 2.215 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1Cc1c(C)nn(C)c1C)[C@@H]1CCS(=O)(=O)C1 1588070120 WYCAVWXQSGITOS-OAQYLSRUSA-N 466.611 2.089 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@H](C)N1CCN(CC)CC1 1588124370 KAIKADGHQKPJKE-JOCHJYFZSA-N 456.598 2.230 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@H]2CCOC[C@@H]2OC)CC1 1588780654 UWXUAVNEFTYQBX-UTKZUKDTSA-N 459.978 2.414 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H](C)CN2CCCC2)CC1 1588890973 JWWZKZWKPJWSCR-HFZDXXHNSA-N 486.661 2.016 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@](C)(O)C(C)C)CC1 1588962003 RCAAWVYBBCYTPA-DEOSSOPVSA-N 457.550 2.369 30 10 JEEE C=C(Br)Cn1c(Cc2ccccc2OC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1589427837 XRHAXLFDKFSKES-MRXNPFEDSA-N 489.374 2.259 30 10 JEEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H](c2nc(C)no2)C1 1589442769 DCLCLHITWWHPRZ-AWEZNQCLSA-N 450.341 2.385 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](CCC)C1 1594497831 MVNPSQNIIWDIOD-QZTJIDSGSA-N 455.625 2.219 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@H](C)[C@H](OC)C1 1595777021 HHHMHPVLLVDKFO-OXQOHEQNSA-N 464.588 2.424 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCC(O)(c2ccccc2)CC1 1595821467 BVJXNFCAEMGQHW-UHFFFAOYSA-N 484.626 2.229 30 10 JEEE Cc1noc(C[C@@H]2CCCN(C(=O)[C@H](CC(C)C)/N=C3/NS(=O)(=O)c4ccccc43)C2)n1 1598170506 BENKTDRTGATPJE-WMZOPIPTSA-N 459.572 2.313 30 10 JEEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CC[C@H](C)N1CCCCC1 1616922543 DFDWKPZZLXSEBL-PMACEKPBSA-N 467.622 2.456 30 10 JEEE COc1ccc(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)cc1F 1619250438 GJGAKOUAAZTLLT-MGPUTAFESA-N 451.499 2.013 30 10 JEEE COc1ccncc1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1619471595 DJXSXRSPWJWIJA-HXUWFJFHSA-N 475.553 2.485 30 10 JEEE CCCCn1c(N)c(N(CC)C(=O)CN2CCC[C@H]2[C@H](C#N)c2ccccc2)c(O)nc1=O 1653426377 BTZJHPDJDKJRLK-MOPGFXCFSA-N 452.559 2.456 30 10 JEEE Cc1nsc(N2CCN(C(=O)N[C@@H](C)CN3CCN(c4ccccc4)CC3)CC2)c1C#N 1677940762 GCOFTLQQLIRMCP-SFHVURJKSA-N 453.616 2.366 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2ccccc2F)n1Cc1cnn(CC)c1)[C@@H]1CCS(=O)(=O)C1 1689979689 GCWPRVMZLGMFME-IEBWSBKVSA-N 486.573 2.449 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)o2)n1Cc1ccc(NC(N)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1689984419 OXAXVKSDTASQRJ-GOSISDBHSA-N 468.539 2.012 30 10 JEEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 1689996766 NYHJOAXGEHCKMT-ZWKOTPCHSA-N 473.624 2.253 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1cccc(Br)n1 1690013299 JRODWWKFEBTBNX-UHFFFAOYSA-N 488.349 2.471 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cn(C)c3ccccc23)n1C[C@@H]1CCCS(=O)(=O)C1 1690099889 PCELATVYSJLCNU-SFHVURJKSA-N 455.584 2.348 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(C)CCCO1 1690104559 ZJXBLUAFJYXFPX-MBSDFSHPSA-N 463.579 2.242 30 10 JEEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 1690301058 NXINIMQJKOJVLR-RDTXWAMCSA-N 483.557 2.011 30 10 JEEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H](C)O[C@H](COC)C1 1690474298 ZFTWMCGTRVNCOS-HKUYNNGSSA-N 463.604 2.402 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCN(Cc2cscn2)CC1 1690676367 XUYKWEDTAKITQL-UHFFFAOYSA-N 467.599 2.246 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H](C)N2CCN(CC)CC2)C1 1690709339 FXJJQXHTSAELRM-GHTZIAJQSA-N 459.664 2.441 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCN(c2ncccc2C#N)CC1 1690725346 NBXKNBLDTVVVJQ-UHFFFAOYSA-N 495.584 2.202 30 10 JEEE CCOC(=O)N(C)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCO[C@H]2C)CC1 1695948911 HVQANBMGFYJGFR-XDHUDOTRSA-N 468.558 2.414 30 10 JEEE COc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCN(CC(F)(F)F)C2)cc1 1697492501 BAPZKTXSGQDBEZ-QFBILLFUSA-N 480.491 2.479 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1Cc1ccnc(OC(F)F)c1)[C@H]1CCS(=O)(=O)C1 1705560905 OGIRRBBWFCFFGY-ZBFHGGJFSA-N 453.515 2.463 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Cl)n1CCNC(=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1705564090 LCYHUSXBFKVXHX-MRXNPFEDSA-N 478.018 2.388 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@H](C)CN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1705569626 IUISXTXXMQLVHN-IRLDBZIGSA-N 470.643 2.013 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H](C)N1CCN(CC)CC1 1705587669 DWFYIFRIQYKRDT-FDFHNCONSA-N 483.661 2.148 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2cccc(C(C)(C)O)c2)CC1 1705634901 LVYDRLYVVQLBIX-AREMUKBSSA-N 467.614 2.350 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CCCN2CCOCC2)CC1 1705635676 GVGCNSRWSISGKE-UHFFFAOYSA-N 487.446 2.494 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2Cc2ccnc(OC(F)F)c2)CC1 1705648954 FEQQVBCWZWIYNI-UHFFFAOYSA-N 467.480 2.351 30 10 JEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C(F)(F)F)n1)C1CC1 1705854866 PXOFHJKVIZEQTN-MRXNPFEDSA-N 486.520 2.228 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1705898829 YYXYVEGTNOQAIE-CJAUYULYSA-N 485.585 2.429 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1705903174 NPPCXORYDMXUHA-INIZCTEOSA-N 477.960 2.277 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1705936724 XCYNTDIALSXNGH-ILXRZTDVSA-N 452.499 2.277 30 10 JEEE CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2ccc(OC(F)F)c(F)c2)CCOC1 1710482432 FRBDIHFKCWRNPV-BTYIYWSLSA-N 467.448 2.448 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2CCc2ccn(C)n2)c1 1722305213 NJSLBSUXKNBUSE-SANMLTNESA-N 491.596 2.351 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CCc2cccc(C)n2)c1 1722306467 SSQJAGADJNNASW-UHFFFAOYSA-N 459.554 2.419 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)o2)n1Cc1c(CC)nn(C)c1CC)[C@H]1CCS(=O)(=O)C1 1722360492 UTOHTHNGEYUJHV-KRWDZBQOSA-N 470.599 2.380 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1ccc(C)cc1OCCOC)[C@@H]1CCS(=O)(=O)C1 1722360737 JHFDBTRIIYOVMI-OAQYLSRUSA-N 495.605 2.349 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCCC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1722367022 KCDAXHYTAKQFDK-HXUWFJFHSA-N 457.600 2.482 30 10 JEEE C#CCN(c1nnc(Cc2c[nH]c3ccccc23)n1C[C@@H](C)COC)[C@@H]1CCS(=O)(=O)C1 1722372097 PADDIPUNJMMGJD-IEBWSBKVSA-N 455.584 2.259 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(OCC)cc3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1722430339 AZGMAHSGLPVMED-KNQAVFIVSA-N 480.613 2.487 30 10 JEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2c(ncn2-c2ccc(C)cc2)C1 1722451800 OIQQRSIUUGXACH-SFHVURJKSA-N 499.666 2.312 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1722592081 UTMLPYXFHCQVOQ-IBGZPJMESA-N 452.559 2.500 30 10 JEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(Cc2ccccc2)CC1 1722618924 XDIYKFXJQGPJHI-JOCHJYFZSA-N 488.658 2.290 30 10 JEEE C=CCCOCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(C(=O)C(C)C)CC1 1722624668 GZJRZYYITBOJDZ-UHFFFAOYSA-N 479.585 2.089 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c(C)nnc1N1CCN(c2ncnc3c2cnn3C)CC1)C(C)C 1722662722 MKWDQYTWEJBAGF-OAQYLSRUSA-N 464.622 2.288 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1722693265 IRMMIGPGSCJUGR-OAHLLOKOSA-N 492.422 2.327 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCS[C@H](C)C1 1722728615 SGEIETUKFZPTOX-QAPCUYQASA-N 450.586 2.333 30 10 JEEE CC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(=O)N2CCOCC2)CC1)OC 1727251618 AKLRPJHIFDYWAO-NRFANRHFSA-N 452.559 2.317 30 10 JEEE CN(C)[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1)c1cccs1 1729319147 CWCCHDDSNDQJSD-IBGZPJMESA-N 465.583 2.419 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@@]1(C)CCCS1)[C@H]1CCS(=O)(=O)C1 1740615634 IEGOEYNORVUFJY-LAUBAEHRSA-N 467.661 2.109 30 10 JEEE C#CCN(c1nnc(-c2ccc(OCC)c(OC)c2)n1CC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1740618767 BQEMAEKTZOGMGG-HXUWFJFHSA-N 488.610 2.406 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCc1nc(C(C)(C)C)cs1)[C@H]1CCS(=O)(=O)C1 1740627636 RPFWSMIXFNVVOC-SJORKVTESA-N 477.656 2.405 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCC(=O)NC)CC1 1740702091 IFNJBFVVUBJCSE-LJQANCHMSA-N 466.586 2.137 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1740767171 MZJXFSCVJDXLGE-PXNSSMCTSA-N 496.659 2.072 30 10 JEEE C=C(Cl)Cn1c(-c2nnc(O)c3ccccc23)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1740809394 LJWZHCRLCITOII-HNNXBMFYSA-N 492.989 2.376 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(c2cc(C)nc(C(C)C)n2)CC1 1740957474 PBMNXYFGRHKTNK-UHFFFAOYSA-N 463.590 2.134 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(OCCN2CCCC2)cc1 1741129417 DFNNHHOBFXPBHP-WIYYLYMNSA-N 451.575 2.348 30 10 JEEE C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCC(=O)NC(C)(C)C 1741136571 BAFRTJNXANFKFS-JKSUJKDBSA-N 460.604 2.379 30 10 JEEE C[C@H](CN1CCOCC1)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1741875961 AVJCZVAHQXNEDO-GUDVDZBRSA-N 474.631 2.043 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1Cc1cccc(Cn2ccnc2)c1 1741918676 CCFMDCUDBXUEMT-SFHVURJKSA-N 482.614 2.311 30 10 JEEE CCCC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1745123120 BEQVNCYIOSKKMM-ICSRJNTNSA-N 470.599 2.137 30 10 JEEE COc1cc(Cl)ccc1-c1nnc(N2CCO[C@H](C#N)C2)n1CCCN1CCC(O)CC1 1748555388 CCTURGIILLZHMZ-GOSISDBHSA-N 460.966 2.183 30 10 JEEE C#CCN(c1nnc(-c2ccc(OCC)c(OC)c2)n1CC[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1748809606 OKCBMHOLHNIQHR-UYAOXDASSA-N 488.610 2.406 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC[C@@H]1CCO[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1748815283 OFJZVXZCAYWZDB-YRPNKDGESA-N 450.605 2.352 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@H]2CC[C@H](F)C2)CC1 1748979692 JGBBYWMTVGAYKD-ICSRJNTNSA-N 474.606 2.089 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1749118479 GQAANSJHGZLISU-RDGPPVDQSA-N 496.678 2.001 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](COC)C1 1749368617 NURLGVTUJYEJHP-ROUUACIJSA-N 455.625 2.076 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(C(=O)N2CCCC2)CC1 1749658458 QSZMAHRQMZMPKU-UHFFFAOYSA-N 487.992 2.247 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@H](CNC(=O)CCC)C1 1749670434 TUNBQSGXINWACX-WIYYLYMNSA-N 482.585 2.226 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cccc(C(OC)OC)c2)C1 1749713703 WXXVBPSKRASZQW-UXHICEINSA-N 476.599 2.301 30 10 JEEE CS(=O)(=O)c1cccc(-c2nnc(N3CCC(CC#N)CC3)n2CC2(O)CCOCC2)c1 1750191733 DTBSMFWTTYSMIP-UHFFFAOYSA-N 459.572 2.020 30 10 JEEE CS(=O)(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCSC2)CC1 1750197297 DESSALIMTRXODM-KRWDZBQOSA-N 461.613 2.495 30 10 JEEE C#CCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1760142146 STKDLYALATVEKI-VWLOTQADSA-N 475.553 2.347 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CC1CCCC1)[C@@H]1CCS(=O)(=O)C1 1760180683 JKXVWQMPCVODSO-KNQAVFIVSA-N 450.605 2.136 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1Cc1ccoc1)[C@H]1CCS(=O)(=O)C1 1760183656 PYHISIMQATXUCL-SFHVURJKSA-N 456.524 2.230 30 10 JEEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC[C@H]1C[C@H](F)C1)[C@H]1CCS(=O)(=O)C1 1760184611 XCBSIQDYNVQGKJ-WDSOQIARSA-N 494.614 2.114 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@@]1(C)CCCO1)[C@@H]1CCS(=O)(=O)C1 1760185808 DVQSDRXCHFEZIR-OPAMFIHVSA-N 464.538 2.343 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](c2cccs2)N2CCCC2)CC1 1760252213 NUNTXHWBWPVVHW-LJQANCHMSA-N 455.632 2.070 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 1760257242 RPGANGIXNZOISC-LEWJYISDSA-N 490.649 2.404 30 10 JEEE C=C(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1760341258 NWFQYRUQTJSACN-UHFFFAOYSA-N 460.604 2.489 30 10 JEEE C=C(C)Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 1760350171 XVGXERMVNMMFFO-GOSISDBHSA-N 468.649 2.087 30 10 JEEE C=CC[C@H](Cn1c(CC)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1)c1ccccc1 1760420128 JLJGRPGOYBATNO-OAQYLSRUSA-N 450.587 2.471 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCn2cc(C)cn2)C1 1760539079 JQDTVAYASLZODA-IBGZPJMESA-N 456.572 2.335 30 10 JEEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1760558853 CHUMXBOBRFDSGU-SFHVURJKSA-N 457.604 2.003 30 10 JEEE CC(C)(C)[S@](=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](Cn2cccn2)C1 1760804500 FXDKZDGTIZZFPP-NLINSNCNSA-N 467.599 2.466 30 10 JEEE CC(C)C(=O)NC[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCO[C@H]2C)C1 1760843245 AHSMSCRKVUDTLD-HEKZAOSPSA-N 496.612 2.257 30 10 JEEE CC[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(C#N)cc1)N1CCCC1 1762323977 FLTNNWGSSCRJOJ-XLIONFOSSA-N 459.620 2.271 30 10 JEEE N#C[C@@H](c1cccs1)N1CCC(C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N2CCC(O)CC2)CC1 1868782990 NRUCWMYLVREBPT-PKTZIBPZSA-N 496.633 2.441 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCCC(=O)OCC)cn1CCN1C(=O)CSC1=O 1870453708 DWBUNTBTBYXDOA-UHFFFAOYSA-N 463.556 2.050 30 10 JEEE C#CCOc1cn(CCc2nc(-c3ccc(OC)cc3)cs2)c(CN2CC(O)C2)cc1=O 1870560143 JFCMVGWVUGXJBY-UHFFFAOYSA-N 451.548 2.412 30 10 JEEE CCN1CCN(CC#CCOC2CCN(C(=O)c3cccc(-n4nc(C)cc4N)c3)CC2)CC1 1889566593 SYODRVRDKMUJEC-UHFFFAOYSA-N 464.614 2.025 30 10 JEEE C=CCN(CC(=C)B1OC(C)(C)C(C)(C)O1)S(=O)(=O)CCN1C(=O)c2ccccc2C1=O 1916877487 DLXBBUBVWWPUDA-UHFFFAOYSA-N 460.361 2.288 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N1CC[C@](NC(=O)OC(C)(C)C)(C(=O)O)C1 2059769849 HWTDJSNEBRYFJT-LHSJRXKWSA-N 454.524 2.154 30 10 JEEE Cn1cc(C(=O)N2CCC(NC(=O)OCc3ccccc3)CC2)nc1B1OC(C)(C)C(C)(C)O1 2255822770 PLGDGNUHKFZYOI-UHFFFAOYSA-N 468.363 2.250 30 10 JEEE Cc1cc(C(=O)NCC2(NC(=O)OC(C)(C)C)COC2)c(B2OC(C)(C)C(C)(C)O2)s1 2255837700 TXKGEKQFEZUNEX-UHFFFAOYSA-N 452.382 2.379 30 10 JEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O 2267130397 NYPJVIDZRDPEEB-HZPDHXFCSA-N 466.409 2.456 30 10 JEEE COC1(CCNC(=O)OC(C)(C)C)CN(C(=O)c2occc2B2OC(C)(C)C(C)(C)O2)C1 2267490893 VHGNQQLNFRNGOT-UHFFFAOYSA-N 450.341 2.335 30 10 JEEE CON(CCNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1)C(=O)OC(C)(C)C 2267708038 CEJTZNUANXBPJR-UHFFFAOYSA-N 474.360 2.202 30 10 JEEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)[C@H](C#N)C1 2267716935 VNSVYUGSZNDWDK-OAHLLOKOSA-N 483.421 2.181 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C(F)(F)C1 2268711962 QCRLWLUNKKSTHZ-LLVKDONJSA-N 474.339 2.090 30 10 JEEE CC(C)(C)OC(=O)N[C@]1(C(=O)NCc2cc(B3OC(C)(C)C(C)(C)O3)cs2)C[C@H](CO)C1 2268716202 MRYAPIVVXQIBHN-XLOAEROZSA-N 466.409 2.329 30 10 JEEE CC(C)(C)OC(=O)N1CCN(c2c[nH]ccc2=NC(=O)C#CB2OC(C)(C)C(C)(C)O2)CC1 2281946001 ULVOXOPPQUDQRD-UHFFFAOYSA-N 456.352 2.134 30 10 JEEE CCn1cc(C(=O)N[C@@H]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)nc1B1OC(C)(C)C(C)(C)O1 2282044105 RKDNSPBMMIHZJK-HRCADAONSA-N 460.384 2.187 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCCCC1CN(C(=O)OC(C)(C)C)C1 2282044658 VQNZZYNTWHEUFG-UHFFFAOYSA-N 462.400 2.486 30 10 JEEE CC(C)(C)OC(=O)N1CC(N(C2CC2)S(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282354922 XPENZPUDYYQYSW-UHFFFAOYSA-N 479.408 2.153 30 10 JEEE C[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2CN1C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2282568368 BGHGAJWEXVGPDC-HLLBOEOZSA-N 460.384 2.047 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]2C[C@H]21 2282587018 HHMSINOXNPEYEA-UAGQMJEPSA-N 460.384 2.330 30 10 JEEE C[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1O 2282972311 NXPLZCYBQDSAQF-WFASDCNBSA-N 456.270 2.363 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CCc2c(B3OC(C)(C)C(C)(C)O3)cccc21 2283961151 BTJKBRPDQQATBE-BEFAXECRSA-N 458.364 2.245 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)OC(C)(C)C1 2283979403 NCJNNRXTCLIJIR-HNNXBMFYSA-N 481.424 2.473 30 10 JEEE C[C@@H](c1cc(B2OC(C)(C)C(C)(C)O2)cs1)N(C)C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C 2283980397 ZMYQLLWGPMYEDK-ZFWWWQNUSA-N 481.424 2.335 30 10 JEEE CC(C)(C)OC(=O)NC[C@]12CO[C@](C(=O)Nc3ccnc(B4OC(C)(C)C(C)(C)O4)c3)(C1)C2 2284137233 MAKSEHURFLOVKC-ZRZAMGCNSA-N 459.352 2.393 30 10 JEEE CC(Cl)=CCn1c(NN=Cc2cc(Br)ccc2O)nc2c1c(=O)n(C)c(=O)n2C 2296147310 XFZNQCMFQIPXAS-UHFFFAOYSA-N 481.738 2.490 30 10 JEEE COc1cc([C@H]2C(=C(O)c3ccco3)C(=O)C(=O)N2CCN2CCOCC2)cc(OC)c1OC 2297741473 HYKBBASKQSVSQD-FQEVSTJZSA-N 472.494 2.059 30 10 JEEE COC(=O)CSc1nnc([C@H]2CC(=O)N(c3ccc(OC)cc3)C2)n1N=Cc1ccccn1 2325881657 BNOXQIUZIRBZPH-HNNXBMFYSA-N 466.523 2.350 30 10 JEEE C[C@@H]1CCN(C(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)[C@H](C)[C@@H]1NC(=O)C(F)(F)F 2337329598 DTFYAGAEHFESDI-NQBHXWOUSA-N 461.315 2.360 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2C(NC(=O)c3cc(F)c(B4OC(C)(C)C(C)(C)O4)cc3O)[C@H]2C1 2364957469 BLZVNDDSVNMPBL-KBPBESRZSA-N 462.327 2.426 30 10 JEEE Cn1nc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H]3CCC[C@H]32)cc1B1OC(C)(C)C(C)(C)O1 2367686942 MBJPHJLVQZXSNF-IAGOWNOFSA-N 460.384 2.333 30 10 JEEE Cc1cc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)OC(C)(C)C)cc(B2OC(C)(C)C(C)(C)O2)c1 2369677193 JAEWYMFGYWZWCC-MOPGFXCFSA-N 460.380 2.281 30 10 JEEE CCOc1cc(C=NNS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)ccc1OCC(=O)N(C)C 254875564 ZMWJZZMHZKWVGP-UHFFFAOYSA-N 464.500 2.081 30 10 JEEE C#CCNC(=O)c1ccccc1NC(=O)c1cn(CCOc2ccc(C=O)cc2Cl)nn1 1136509773 ATBAXCHVGVNZQZ-UHFFFAOYSA-N 451.870 2.438 30 10 JEEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl 1137591565 AHGFWLAISMFAFT-UHFFFAOYSA-N 450.952 2.006 30 10 JEEE C#CCOc1ccccc1NC(=O)N1CCN([C@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 1203533778 RJRUOOSNPZCGJM-FQEVSTJZSA-N 450.543 2.086 30 10 JEEE C=CCN1C(=O)C(=O)N(CC(=O)NCCCCSc2ccccc2Br)C1=O 1265311211 GPHRUXYAWGYENM-UHFFFAOYSA-N 454.346 2.414 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccnc(OC2CCOCC2)c1 1286275049 MLHOCINPJASJCQ-MHECFPHRSA-N 455.559 2.389 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1CC1(C)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1286381380 GIXRFFSWADZVSL-LJQANCHMSA-N 488.610 2.406 30 10 JEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1CCN(C(=O)OC)CC1 1286414099 SHGPQKFVPPFINQ-UHFFFAOYSA-N 476.585 2.003 30 10 JEEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](C)Cc2ccc(OC)cc2)CC1 1286483310 GLDJAHQJCNJMGM-FQEVSTJZSA-N 450.587 2.043 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H]2CCOC[C@@H]2C)CC1 1286485412 KKRLFWIOWGJKOE-XSDIEEQYSA-N 472.634 2.477 30 10 JEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N(C)CC(=O)Nc1cc(F)cc(F)c1 1286494150 JUOBVAZGVSXTMD-UHFFFAOYSA-N 450.515 2.136 30 10 JEEE C#CCSCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1286500907 GYRGPHVFYHYUMB-UHFFFAOYSA-N 454.021 2.483 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)c1nccs1 1286628443 ANXFBIUKBGLLAT-OCCSQVGLSA-N 461.013 2.060 30 10 JEEE C=CCCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2cc(F)cc(C)c2C1 1286706327 MSPSJLAMPZAXPA-MRXNPFEDSA-N 451.568 2.491 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCc3cccnc32)C1 1286800846 RQBLASFIKIXJQA-NZSAHSFTSA-N 460.604 2.185 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1Cc2cccc3c2[C@H](CCC3)C1 1286814343 QBTNKUBCWJIJDE-LJQANCHMSA-N 457.600 2.457 30 10 JEEE C=CCSCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN2CCOC[C@H]2C1 1286825258 IAHCGILQWGCDOQ-GOSISDBHSA-N 475.615 2.411 30 10 JEEE CCc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1292614317 HTYPDRXULPQCKH-UYAOXDASSA-N 494.518 2.411 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCOC[C@@H]2C[C@H](O)c2ccccc2)s1 1294563093 IBEINBDMKZOUGC-HKUYNNGSSA-N 450.582 2.106 30 10 JEEE COc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCN2CCC(O)CC2)cc1OC 1300040796 CXKWZFYHTCJQPR-HSZRJFAPSA-N 458.538 2.251 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCCN1CCC(O)CC1 1300270774 FEIZAJGTLUYEPF-KRWDZBQOSA-N 458.994 2.166 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1CCCN1CCN(c2ccccc2)CC1)[C@@H]1CCS(=O)(=O)C1 1300483909 MYLVIEQMTAYWAY-HSZRJFAPSA-N 498.697 2.415 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1CCCCN1CCC[C@@H]1CO)[C@H]1CCS(=O)(=O)C1 1300487405 JABNCHXUBYYIDQ-YADHBBJMSA-N 485.654 2.117 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCO[C@@H]1CCCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1300496626 SNBIJQBGCNFDCE-YSTOQKLRSA-N 450.605 2.004 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccc(F)cc2)n1C[C@H](N1CCOCC1)C(F)(F)F 1300547788 CZZHEVCZQOTJCH-IBGZPJMESA-N 465.451 2.332 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(CNC(=O)c2cccs2)n1CCC(=O)NC 1300649174 LPAWAJLYXFSLMW-UHFFFAOYSA-N 454.531 2.185 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2CCC(=O)NC(C)(C)C)CC1 1300729309 VECBMHGOVPYZEN-UHFFFAOYSA-N 480.613 2.170 30 10 JEEE C#CCSCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCN(CCOC)C(=O)C1 1300741114 NABXRVNOBUWBBC-UHFFFAOYSA-N 464.595 2.463 30 10 JEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1300997761 YZDQHLDOCIRDPS-UHFFFAOYSA-N 470.574 2.165 30 10 JEEE C=CCN(C)c1nnc(CN2CCCC2=O)n1C[C@@H]1C[C@@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1301305484 ZMLZGZFXDQQBFH-FGTMMUONSA-N 460.579 2.047 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@@H](C(C)C)C1 1301483138 IATDHTSUVWTVIW-MRXNPFEDSA-N 451.369 2.210 30 10 JEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N(C)[C@H](C)c1ccc([S@@](C)=O)cc1 1301509252 DMIWVZSUVDIEHE-PIJWYQRNSA-N 469.615 2.377 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3ccccn3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)C1 1301553805 SXIDYQFCMUYIPV-PZJWPPBQSA-N 453.591 2.064 30 10 JEEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2)CC1 1301594452 CUCZMRXGQATQPO-KRWDZBQOSA-N 450.634 2.134 30 10 JEEE N#CCCN(CC1CC1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1303012626 GNFPQPKHJOFBNF-SJORKVTESA-N 474.553 2.194 30 10 JEEE COc1ccc(CCc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@H]2CCCN2CCCO)cc1 1315449471 HDNXHUZEYAXAPZ-HYBUGGRVSA-N 456.566 2.361 30 10 JEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1Cc1snnc1C)[C@@H]1CCS(=O)(=O)C1 1358964683 DSZBENJNOPJJMG-QGZVFWFLSA-N 477.015 2.357 30 10 JEEE C=C(Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](COCC)C1)c1ccccc1 1359138851 GAICDHZHKLOQCI-TZIWHRDSSA-N 475.615 2.187 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCOC1 1359263486 CKYPJHXBEMTAGJ-IEBWSBKVSA-N 481.644 2.292 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1359305296 ZIYOCWJKRICLNA-MSOLQXFVSA-N 458.950 2.060 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1359309363 PQKCRGGCMZRQJR-NRFANRHFSA-N 465.558 2.341 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1359333902 NKKNSUPWGWXTIR-UXHICEINSA-N 479.672 2.078 30 10 JEEE C=CCS(=O)(=O)CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCN2CCOC[C@H]2C1 1359335292 HJKOFUZKXXULBX-GOSISDBHSA-N 498.074 2.345 30 10 JEEE C=CCCO[C@H](C)C(=O)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1469000955 BIONCANDGVUCRP-BHIYHBOVSA-N 450.580 2.362 30 10 JEEE C#CCN(C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCN(C)CC1)C1CC1 1475836425 UJVKFRULWUXBBR-UHFFFAOYSA-N 459.616 2.243 30 10 JEEE Cc1cccc(CCCn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N2CCO[C@H](C#N)C2)n1 1492524936 CIIKHKCTMDNEDZ-OAQYLSRUSA-N 495.609 2.260 30 10 JEEE CNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCC[C@@H]2C)CC1 1503767605 FSKZHWFTBKXFMY-BXKMTCNYSA-N 452.559 2.242 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1Cc1cccc(CN(C)C)c1)[C@@H]1CCS(=O)(=O)C1 1507630135 UFECTFCLSCVYIU-OAQYLSRUSA-N 466.611 2.020 30 10 JEEE C#CCN(c1nnc(C2CCC2)n1Cc1ccc(OC)c(OC)c1OC)[C@@H]1CCS(=O)(=O)C1 1507632452 LNUHPAHJWSBPKE-GOSISDBHSA-N 474.583 2.246 30 10 JEEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1CC(C)(C)CC)[C@@H]1CCS(=O)(=O)C1 1507638966 IAMRPKPOPOLVMW-MRXNPFEDSA-N 463.629 2.333 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccccc1CN1CCC(O)CC1 1507660886 GRYAMLBVVSHSHF-MUUNZHRXSA-N 491.636 2.398 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCOC[C@@H]1C 1507710181 CLLLTPUXCSRXES-UFYCRDLUSA-N 477.606 2.345 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2C[C@@H](SC)C(C)(C)C)CC1 1507721471 PGAYREGWNCEYGW-HXUWFJFHSA-N 465.631 2.454 30 10 JEEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN([C@@H](C)c2cccc(OC)c2)CC1 1507823806 IBRUPWPHEXSVCZ-ROUUACIJSA-N 462.620 2.356 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC2([S@](C)=O)CCC2)C1 1508112592 BFMMEJNKHHYYAJ-NRQFKLOQSA-N 452.621 2.401 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2cccc(C)c2)CC1 1508130396 HZIZHTUGQNAPAK-UHFFFAOYSA-N 495.609 2.161 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C)CC1 1508146106 UBVDSBWEMOJFGQ-SFHVURJKSA-N 483.635 2.424 30 10 JEEE CC(C)CC[C@@](C)(O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](C#N)C1 1509251574 BMNDDGINXOQMON-XMSQKQJNSA-N 461.588 2.265 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H](OCC)C1CCCC1 1539013127 HZHMCMBJEVOQBN-SXLOBPIMSA-N 467.636 2.054 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@](C)(O)[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1539213460 ZOMIHVPCOQIKFE-WJPUGNRLSA-N 466.007 2.417 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](CC)c1ccccc1 1539325674 LNYNWLINVUEIAO-IFMALSPDSA-N 469.611 2.268 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(F)cc2Br)n1CCCS(C)(=O)=O 1539406100 UFTVEBUHLYWBJD-UHFFFAOYSA-N 473.368 2.367 30 10 JEEE C=C(Cl)Cn1c(COc2ccccc2OCC)nnc1N1CCN(S(C)(=O)=O)CC1 1539820437 GFAPNVHAJHVNEJ-UHFFFAOYSA-N 455.968 2.090 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCO[C@H]2CCCC[C@@H]2C)CC1 1539847104 AABJUMMGFIZFHL-UFYCRDLUSA-N 467.636 2.363 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)c2c(C)noc2C)CC1 1539847632 IMCOFNFMLVKHGQ-QAPCUYQASA-N 464.592 2.176 30 10 JEEE C=CCCCn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1540005943 QCLCPPSASZPCIY-UHFFFAOYSA-N 450.587 2.415 30 10 JEEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1ccc(C(N)=O)cc1 1540051289 CCLNXIJQXZVJOC-UHFFFAOYSA-N 453.572 2.316 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1540866735 YPNPOMHRKYHTLC-UHFFFAOYSA-N 495.971 2.442 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1540875711 VRRFCTYGRNNYIS-RBUKOAKNSA-N 454.600 2.428 30 10 JEEE C=CCOc1ccc(Cn2c(COCC)nnc2N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)cc1 1540878736 GTIJPHKNSJRDLY-XMMPIXPASA-N 468.558 2.242 30 10 JEEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(F)(F)F)CC1 1540917275 RHANIDOUXXEHNQ-OAHLLOKOSA-N 483.582 2.309 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@@H]1CCC[C@H](O)C1)[C@@H]1CCS(=O)(=O)C1 1588058816 CXXPHOCXXYNITN-RLLQIKCJSA-N 460.575 2.186 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CCc1c(F)cccc1F)[C@@H]1CCS(=O)(=O)C1 1588065391 YBHBUUWROGTRRY-GOSISDBHSA-N 471.533 2.412 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2CCC(=O)NC(C)C)CC1 1588962283 YWISAQKSCVKOCV-UHFFFAOYSA-N 466.586 2.046 30 10 JEEE C=C1CCN(c2nnc(-c3ccc(OC)cc3)n2CCNS(=O)(=O)Cc2ccon2)CC1 1594070977 ULFNOZHBIRVFKO-UHFFFAOYSA-N 458.544 2.218 30 10 JEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(Cc2ccccc2)C[C@@H]1C 1594732676 GUWGKOOEZIMARB-RBBKRZOGSA-N 488.658 2.288 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC2(CCN(C)C2=O)CC1 1595497179 SHJWQHBRGLYSRJ-UHFFFAOYSA-N 474.512 2.297 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1595766116 MHFZYQBFGRBFNM-SFHVURJKSA-N 492.552 2.324 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N(C)C[C@@H]1CN(CC)c2ccccc2O1 1595788640 FEXIXNKHJDJAEE-GOSISDBHSA-N 483.598 2.060 30 10 JEEE CCOC(=O)N[C@@H](CC(C)C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCNC(=O)CC1 1616002220 BXFSHNVJRKDJCV-IBGZPJMESA-N 453.547 2.304 30 10 JEEE N#Cc1ccccc1NC(=O)CCCC(=O)N1CCN(CC(=O)N2CCc3ccccc32)CC1 1624856685 GBZJOOXYMRAUIV-UHFFFAOYSA-N 459.550 2.401 30 10 JEEE C=CCOCCNC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1 1673018426 MJZOTFDHXHKLLJ-UHFFFAOYSA-N 452.577 2.022 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCCn2ccnc21 1689835732 ROVPEYHWSKFIQB-IEBWSBKVSA-N 467.599 2.427 30 10 JEEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C 1689954119 LZYQGXVNCHFWLK-INIZCTEOSA-N 451.535 2.246 30 10 JEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1cccc(C(F)F)c1)[C@H]1CCS(=O)(=O)C1 1689978224 PFHCWAKIZZDRRL-SFHVURJKSA-N 477.537 2.127 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CC1(C)CCOCC1)[C@H]1CCS(=O)(=O)C1 1689983606 DGIACTBARGNDDR-FQEVSTJZSA-N 453.568 2.260 30 10 JEEE C#CCN(c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCC)[C@H]1CCS(=O)(=O)C1 1689990840 SOPAQOSYOSSTJQ-SFHVURJKSA-N 465.620 2.429 30 10 JEEE C#CCN(c1nnc(CCCc2ccccc2)n1CCC(=O)NC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1689993675 JJFFHUHQDHUIGK-NRFANRHFSA-N 485.654 2.385 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCC[C@@H]1NC(=O)NC1=O 1690003229 HRDBMBJNQAWINZ-QFIPXVFZSA-N 469.549 2.414 30 10 JEEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCO[C@@H]1CCOC1 1690077609 SFAVVWCYHCTSJH-RTBURBONSA-N 463.579 2.242 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cn2nc(C)cc2C)n1CCC(=O)N1CCOCC1 1690092521 LMGJWQKNQQDSCC-UHFFFAOYSA-N 479.560 2.168 30 10 JEEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(-n2ccnc2C)nc1 1690106397 ULQNSTPDLWENKF-UHFFFAOYSA-N 459.558 2.163 30 10 JEEE C#CCN1CCN(c2nnc(-c3noc4c3COCC4)n2C[C@H](CC)NC(=O)OC(C)(C)C)CC1 1690122273 MIPMJCDGPDIMTK-KRWDZBQOSA-N 485.589 2.064 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2Cc2c(CC)nn(C)c2OC)CC1 1690126290 YNUCNANSBCHFEB-UHFFFAOYSA-N 451.550 2.116 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)CC1 1690136687 IFODYUNBYADEOW-XLIONFOSSA-N 468.577 2.241 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CC2(O)CCN(C(C)C)CC2)CC1 1690146289 KGGFFXJSEJIUKE-UHFFFAOYSA-N 458.651 2.068 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2ccccc2)C1 1690238003 DIJMXHFLYBTGGU-NRDMVMEKSA-N 475.615 2.447 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCCCS1(=O)=O 1690259573 OCDBSJSQSFXFQK-IBGZPJMESA-N 456.576 2.291 30 10 JEEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1690274806 DVMFZWWOHAXZEV-JYJNAYRXSA-N 456.613 2.204 30 10 JEEE C=CCC(C)(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@H](C(N)=O)C1 1690422060 BXCNZRHJGOBROW-GOSISDBHSA-N 474.631 2.499 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCCS1(=O)=O 1690574109 OXDRZJWUKUZJRJ-NVXWUHKLSA-N 487.673 2.110 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1690683856 XVJNLQBSRHXWMB-SFTDATJTSA-N 455.559 2.127 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N(C)C1CCC(NC(C)=O)CC1 1690727124 URCRJVCFNVNYFH-UHFFFAOYSA-N 499.641 2.001 30 10 JEEE CN(C)S(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1696632083 IAJSNMLNYCSDCU-FQEVSTJZSA-N 458.588 2.452 30 10 JEEE COc1cc(OC)cc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCN2CCC[C@H]2C(=O)N(C)C)c1 1697302420 BSORMYOHIGUNCB-SQJMNOBHSA-N 499.591 2.347 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCN1CCOC1=O 1705587359 RKEQBMGMFGPEAT-SFHVURJKSA-N 456.547 2.265 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@H]2CCC(=O)N2)CC1 1705644729 AINGMKOVPSPJHJ-PZJWPPBQSA-N 478.597 2.279 30 10 JEEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)C1CCC(NC(C)=O)CC1 1705655440 CZRLHHAWEYGQNC-UHFFFAOYSA-N 479.614 2.171 30 10 JEEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1705890739 FRSCSJIEBMBBJE-LJQANCHMSA-N 498.584 2.441 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)Cc1cscn1 1705894911 OAVSTGHVGFVPJE-UHFFFAOYSA-N 459.963 2.257 30 10 JEEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(C(C)(C)C)n1CCN1CCOCC1(C)C 1708152255 BIVLDJTURCLXRL-SFHVURJKSA-N 467.622 2.063 30 10 JEEE CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCCC1(C)C 1709191461 DJVNONKOWBVLRN-CYFREDJKSA-N 452.559 2.385 30 10 JEEE CCC[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1709439035 CYPOSZGJNVVFFW-XMMPIXPASA-N 453.591 2.014 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCOC1CCOCC1 1722296085 NOCCCKUAVORWNV-IBGZPJMESA-N 453.591 2.496 30 10 JEEE C#CCN(c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCn1cncn1)[C@@H]1CCS(=O)(=O)C1 1722358348 APNNHWYVUWVWLW-HXUWFJFHSA-N 467.599 2.161 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CC[S@](=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1722361317 YWKTYXQESDKUTN-OFJJUDJNSA-N 452.602 2.020 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cn(C)c3ccccc23)n1CCN/C(O)=C1\N=CC=CC1=O 1722379586 USPJIXRLDFTNIJ-ZNTNEXAZSA-N 453.506 2.036 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCc2ccn(C)n2)CC1 1722444583 LCUZWXNUMWXPCE-GOSISDBHSA-N 479.560 2.499 30 10 JEEE C#CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1722459791 RCUUCPNZSRVGPX-OYRHEFFESA-N 498.701 2.364 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(N2CCCCC2=O)CC1 1722483919 FEDYUSFCFKTWIU-OAHLLOKOSA-N 486.436 2.070 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1722511026 WYOWSEQWEYENEQ-GMBSWORKSA-N 453.634 2.484 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1722700388 HBBZHPAEFNJGMM-UHFFFAOYSA-N 495.672 2.175 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 1722727382 NZPMIIJKMIFJMC-UHFFFAOYSA-N 463.991 2.259 30 10 JEEE CC(C)[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)N1CCCC1 1723122691 AIXWSTJACNGGBK-IFMALSPDSA-N 486.642 2.472 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1CCC(=O)NC1CCCCC1 1723909364 IEZLFALMJALVDA-QGZVFWFLSA-N 487.630 2.235 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1740645397 MFJOFFAZHGTGBF-GXRSIYKFSA-N 487.670 2.474 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1740758031 TZRKCRKVIHYTKT-TZIWHRDSSA-N 474.631 2.395 30 10 JEEE C=C(C)COCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1740786549 HSHXGSFDVJIOIW-UHFFFAOYSA-N 495.584 2.261 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CCC(N(C)C(C)=O)CC1 1740994493 PKRBJGUGSNBDOW-UHFFFAOYSA-N 459.616 2.111 30 10 JEEE Cc1n[nH]cc1CCCn1c(N2CCN(c3c(C#N)c(C)nn3C)CC2)nnc1C(C)(C)C 1742668912 GQVLHPAXXWPDFT-UHFFFAOYSA-N 450.595 2.480 30 10 JEEE CC[C@@H](C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC(C)(C)N1CCOCC1 1743743316 CMBKFGCCNZMQHB-LJQANCHMSA-N 452.607 2.496 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CCCN2CCCC2)c1 1748689960 LBRZPKRVAQHKNK-UHFFFAOYSA-N 463.586 2.056 30 10 JEEE C#CCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1748734431 GULTUBFCYGXTSV-UHFFFAOYSA-N 474.512 2.133 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCN(C)c1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1748818083 VIEVYBDHVRLDAY-WOJBJXKFSA-N 489.617 2.464 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1Cc1csc(COC)n1)[C@H]1CCS(=O)(=O)C1 1748818394 BEQUAZOJSRYHNQ-KRWDZBQOSA-N 477.637 2.208 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1nnc(C(C)(C)C)s1)[C@@H]1CCS(=O)(=O)C1 1748819167 LVIZQCWYNMOXBR-QGZVFWFLSA-N 485.639 2.088 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CCN1CCCC[C@H]1CC)[C@@H]1CCS(=O)(=O)C1 1748819403 OEFYRYMRCHHBKC-FGZHOGPDSA-N 470.643 2.155 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(Cc2ccc(F)cc2)CC1 1748929548 MCOVJWGXODJRMT-HXUWFJFHSA-N 475.590 2.233 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2ccc(Br)s2)CC1 1748989178 HLCDYPDQOONDQF-HNNXBMFYSA-N 498.472 2.002 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2nnc(O)c3ccccc23)nnc1N(CC)CCS(C)(=O)=O 1749128099 RWJLAKUQROZNAE-OXQOHEQNSA-N 486.598 2.446 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1749175604 KFJLXRSCLPCBAL-HXUWFJFHSA-N 485.614 2.182 30 10 JEEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1749235508 RSEXTUPHZIPCMY-HSZRJFAPSA-N 474.631 2.163 30 10 JEEE COC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N2CCCCC2=O)CC1)OC 1749326479 ALKCOHXQMUGREF-NRFANRHFSA-N 452.559 2.459 30 10 JEEE COC[C@H](Cn1c(Cc2ccncc2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1)OC 1749337963 FNJUKSHVPBVQTR-FQEVSTJZSA-N 465.533 2.263 30 10 JEEE C=CCCOCCn1c(N2CCN(C(=O)NC(C)(C)C)CC2)nnc1[C@@]1(OCC)CCOC1 1749460513 CBZVJABXKCKSOC-HSZRJFAPSA-N 464.611 2.153 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1)C(C)C 1749557433 ISIVTZMJZLURGL-ZSYWTGECSA-N 458.563 2.042 30 10 JEEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1749609708 ZTZSBRIIHZSSRM-UHFFFAOYSA-N 458.588 2.263 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 1749677358 WYSUGGFEJRHGSH-NRFANRHFSA-N 466.611 2.088 30 10 JEEE CC(C)C(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC2(O)CCOCC2)CC1 1750554786 DWSJQXKMKZHHNE-UHFFFAOYSA-N 466.586 2.489 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCCN1CCN(CC)CC1 1760112586 JOSQIOITKDTTOL-QFIPXVFZSA-N 479.677 2.328 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2CCC2(O)CCOCC2)c1 1760127797 MQBHJCIBTMSJRF-HXUWFJFHSA-N 453.543 2.117 30 10 JEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1760145521 QDFIFXMQBGDZQS-MSOLQXFVSA-N 482.651 2.385 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C/C=C/c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1760191835 OBRGRZPANDPBIO-YVWYTEFXSA-N 464.595 2.480 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@@H](C(C)C)N2CCOCC2)CC1 1760258226 IUBTURXGEDMMAY-QHCPKHFHSA-N 496.656 2.464 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CCS(=O)(=O)c2ccccc2)CC1 1760268209 FZIJGBPOTVBXGJ-UHFFFAOYSA-N 492.605 2.088 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)NCCC)CC1 1760323806 GPZIBQGQMIVRQI-KNQAVFIVSA-N 458.607 2.124 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCc1cnn(C)n1 1760480188 NRUCXWAZPNVDGD-FQEVSTJZSA-N 480.598 2.006 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](CC)c2ccccc2)nnc1N1CCn2nc(C)nc2C1 1760548574 KLOBUVIMGBAKNN-LJQANCHMSA-N 455.588 2.341 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Br)cc2)nnc1N1CCO[C@H](COC)C1 1760551711 PHBYCBWMBRVHTK-KRWDZBQOSA-N 485.404 2.160 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1760557246 FQFQGWHBFBVJSY-UHFFFAOYSA-N 486.642 2.037 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CC[C@@H](C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1760558506 QPXTZLXDYMNBIQ-ZACQAIPSSA-N 453.609 2.496 30 10 JEEE CC(C)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2CCS(=O)(=O)CC2)CC1 1761120580 BTZIEHNMCQSAEC-UHFFFAOYSA-N 456.616 2.420 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(NC(=O)C(C)C)CC1 1772659979 NTXQFUFYSDJHCG-UHFFFAOYSA-N 481.022 2.335 30 10 JEEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccccc1C(=O)O 1862738704 HUIVMXNPABGKAM-GOSISDBHSA-N 453.407 2.007 30 10 JEEE O=C([C@@H](CSCc1ccccc1)N=C1NS(=O)(=O)c2ccccc21)N1CCC(O)CC1 1869927866 GGCVKGDNYMBTAD-LJQANCHMSA-N 459.593 2.010 30 10 JEEE C=CCN(CC=C)c1nc(NC(=O)Cc2ccc(OCC)cc2)n([C@H]2CCS(=O)(=O)C2)n1 1870004981 SCCWWRMJYLOJNW-SFHVURJKSA-N 459.572 2.396 30 10 JEEE COc1ccc(/C=N/n2c(SCC(N)=O)nnc2[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1OC 1874209780 GMGJTVIVOJRSQE-XIMCHAMWSA-N 494.577 2.271 30 10 JEEE CC(=O)NCc1nnc(SCC(=O)N[C@H](C)c2ccccc2)n1/N=C/c1ccc(O)c(O)c1 1874436065 KJLMFDJYJONACY-VXHUXDJESA-N 468.539 2.177 30 10 JEEE C=CCn1c(C(=O)N2CCN(C(=O)OCC)CC2)cc2c(NCCN(CC)CC)ncnc21 1875228706 AHEXDLVMAJMQSI-UHFFFAOYSA-N 457.579 2.285 30 10 JEEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)NCCN=c3ccc(-n4ccc(C)n4)n[nH]3)n[nH]2)c1C 1891038083 GOVOEBBNDCGXCF-UHFFFAOYSA-N 460.546 2.014 30 10 JEEE COC[C@H](ONC(=O)OC(C)(C)C)C(=O)NCCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2180991463 NJSXAHIVIOGXGN-SFHVURJKSA-N 464.368 2.116 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CC[S@](=O)(=NC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2255644625 KNPNFLFKAOMXCE-ZDUYTPDQSA-N 471.410 2.348 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@H](O)CN(C(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2255810071 HMOVBFLYLBLPCZ-KBPBESRZSA-N 452.382 2.147 30 10 JEEE CC(C)(C)OC(=O)NC/C=C/CNS(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2255948114 IAQLRPSNGRWRPO-ZHACJKMWSA-N 452.382 2.345 30 10 JEEE CC(C)(C)OC(=O)NCCOCCNC(=O)c1cccc(F)c1B1OC(C)(C)C(C)(C)O1 2267409606 WXJNTSGKSAKNIN-UHFFFAOYSA-N 452.332 2.396 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@@]1(CCF)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2268777526 ZEJGOAGXTYGVOG-HXUWFJFHSA-N 470.376 2.327 30 10 JEEE CC1(C)OB(c2cccc(C(=O)NC[C@@H]3CNCCN3Cc3ccccc3)c2F)OC1(C)C 2281771076 BFSRQAHGVHFISZ-IBGZPJMESA-N 453.367 2.329 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC[C@](CO)(NC(=O)OC(C)(C)C)C1 2281967087 NAQQVAJOPQSRJZ-QFIPXVFZSA-N 481.424 2.243 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H]3C[C@H](C2)C3NC(=O)OC(C)(C)C)n1 2281995820 HXEOSVYZHNNAJX-FKEKPDDDSA-N 460.384 2.187 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H](NC(=O)OC(C)(C)C)C2(CC2)C1 2282006876 ZBRZNRRFOCRROL-OAHLLOKOSA-N 460.384 2.157 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@]2(C[C@@H](NC(=O)c3sncc3B3OC(C)(C)C(C)(C)O3)CO2)C1 2282029381 RGKSHPMAOPMFDT-PEBXRYMYSA-N 479.408 2.341 30 10 JEEE CC(C)(C)OC(=O)N1CC(N(C(=O)c2occc2B2OC(C)(C)C(C)(C)O2)[C@@H]2CCOC2)C1 2282041076 RPVCKYJRRGWHIN-OAHLLOKOSA-N 462.352 2.429 30 10 JEEE Cc1c(B2OC(C)(C)C(C)(C)O2)cccc1C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1CO 2282122020 GHPUBRZXDVEUSA-QGZVFWFLSA-N 460.380 2.348 30 10 JEEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1CN(Cc2ccccc2)CC1(C)C 2282173927 MZGMWLHXBWWQBS-GOSISDBHSA-N 453.396 2.002 30 10 JEEE CC(C)[C@@H](CCN(C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)NC(=O)OC(C)(C)C 2282179856 OXPPXAXIGGYRHO-OAHLLOKOSA-N 465.404 2.126 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NCC[C@H]1CN(Cc2ccccc2)CCO1 2282182863 YKELQYIHGFRUOB-NRFANRHFSA-N 453.392 2.345 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)[C@](C)(CO)C1 2282185175 CULFWGGOKWCDMK-DEOSSOPVSA-N 460.380 2.430 30 10 JEEE COc1ccc(S(=O)(=O)NCCCONC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2282506872 YWDIYRVAEVXNNB-UHFFFAOYSA-N 486.396 2.119 30 10 JEEE C[C@H]1CC[C@H](CNC(=O)C(F)(F)F)N(C(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)C1 2282513428 PYLKEQDHBXSYIU-UONOGXRCSA-N 455.286 2.300 30 10 JEEE Cc1c(C(=O)N[C@H]2C[C@@H](C)CN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282593429 QMRWOOPPJOQOOE-ZBFHGGJFSA-N 462.400 2.403 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CNC(=O)c3ncc(B4OC(C)(C)C(C)(C)O4)cn3)[C@@H]2C1 2282611886 PVDFKZXCTHXCLH-BRWVUGGUSA-N 458.368 2.009 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](NS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)[C@@H](F)C1 2282831119 FHZANEFJWCXHDC-IRXDYDNUSA-N 485.387 2.007 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](O)CN1c1ccc([N+](=O)[O-])c(B2OC(C)(C)C(C)(C)O2)c1 2282934088 NGLGHWZFHLIYCS-CVEARBPZSA-N 463.340 2.358 30 10 JEEE CC(C)(C)OC(=O)NCCCOCCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1O 2282983851 NVUBLGZPQVVVJQ-UHFFFAOYSA-N 464.368 2.353 30 10 JEEE C=CCN(CC(=C)B1OC(C)(C)C(C)(C)O1)C(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O 2283961317 CQZNVADGYOHDLM-UHFFFAOYSA-N 463.384 2.268 30 10 JEEE CO[C@@H]1C[C@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)N(C(=O)OC(C)(C)C)C1 2283964228 MKAYPGJWWZPRLZ-GDBMZVCRSA-N 465.331 2.483 30 10 JEEE CC(C)(C)OC(=O)N1CCC(O)(CC(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)CC1 2284019111 UGDGUBNCUAFDPN-UHFFFAOYSA-N 461.368 2.471 30 10 JEEE CC(C)(C)OC(=O)NC1CC2(C1)[C@@H](C(=O)N=c1nc(B3OC(C)(C)C(C)(C)O3)[nH]s1)C2(F)F 2284132592 HJLUBGVPEVZLTL-IOXDFOJHSA-N 486.350 2.136 30 10 JEEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@H](COCc3ccccc3)C(=O)O)cc2F)OC1(C)C 2284395013 GKJXURZSMDWFIW-LJQANCHMSA-N 479.335 2.073 30 10 JEEE CN(Cc1ccccc1)C[C@@H](NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1F)C(=O)O 2284495445 YXGKPPLRYPKBAR-HXUWFJFHSA-N 456.323 2.440 30 10 JEEE COC(=O)c1ccc([C@@H]2C(=C(O)c3c(C)nc4ccccn34)C(=O)C(=O)N2CCN(C)C)cc1 2296079544 NZHQEDISHLGBSU-OAQYLSRUSA-N 462.506 2.413 30 10 JEEE CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)C(=C(C)NCCCn3cccn3)C(=O)[C@@]12C 2297591322 QYMLDZUTADMLSO-DEOSSOPVSA-N 451.479 2.445 30 10 JEEE CC1(C)OB(c2sncc2C(=O)N[C@H]2COCCN(C(=O)OCc3ccccc3)C2)OC1(C)C 2315685685 XGPHVAZLWBLUFA-QGZVFWFLSA-N 487.387 2.210 30 10 JEEE CCCCCCOc1ccc(C=Nn2c(CNC(C)=O)nnc2SCC(N)=O)cc1OC 2330743800 UGXAQWZEYJYHQV-UHFFFAOYSA-N 462.576 2.342 30 10 JEEE CC1(C)OB(c2sncc2C(=O)NCC2(O)CCN(Cc3ccccc3)CC2)OC1(C)C 2337336536 KCEKOJAERAONJA-UHFFFAOYSA-N 457.405 2.199 30 10 JEEE COC[C@@]1(C(=O)N2CC[C@H](B3OC(C)(C)C(C)(C)O3)C2)CN(C(=O)OC(C)(C)C)CCO1 2342564199 HIRHTIPHHUPZHL-KSFYIVLOSA-N 454.373 2.334 30 10 JEEE CN(C)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1Oc1cc(B2OC(C)(C)C(C)(C)O2)c(F)cn1 2345742699 ZYFCVEZSNFMSNR-IAGOWNOFSA-N 451.348 2.448 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@]2(C(=O)Nc3cc(B4OC(C)(C)C(C)(C)O4)ccn3)CO[C@H]1C2 2359200731 YORDOMROMBNLEZ-VBURHUQHSA-N 459.352 2.392 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)[C@@H]2CCC[C@H]21 2367686609 HXVLRIYLGKYWTJ-IAGOWNOFSA-N 458.368 2.390 30 10 JEEE CC(C)(C)OC(=O)N1CC([C@H]2C(=O)NCCN2C(=O)[C@H]2C[C@H](B3OC(C)(C)C(C)(C)O3)C2)C1 2379828208 GHZKYJVXZZYHHI-XIRDDKMYSA-N 463.384 2.053 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)Nc3cc(S(=O)(=O)N(C)C)ccc3N(C)C)cc2C1=O 24555159 GTHPBMDBXLORHC-UHFFFAOYSA-N 456.524 2.037 30 10 JEEE CCN1C(=O)C[C@H](C(=O)NCCc2ccc(S(N)(=O)=O)cc2)SC1=Nc1ccc(OC)cc1 254482326 NUMULOGYCZZJQO-LJQANCHMSA-N 490.607 2.043 30 10 JEEE CCOCCn1c(=C(C#N)C(=O)c2sccc2C)sc(=Cc2cnn3ccccc23)c1=O 729670065 ZQQMMXHXIAVIKG-UHFFFAOYSA-N 464.572 2.350 30 10 JEEE C=CCN(CC=C)C(=O)COC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 842152156 HKPTXNOPAFTXII-KRWDZBQOSA-N 471.373 2.346 30 10 JEEE Cc1nnc(CSc2nnc(NC(=O)CSc3n[nH]c(NN=Cc4ccco4)n3)s2)o1 1084561352 ZZFHQNOVSOIOCF-UHFFFAOYSA-N 478.545 2.410 30 10 JEEE N#Cc1ccc(-n2ccc(NC(=O)N[C@@H]3CCCN(CCN4CCOCC4)C3)n2)c(Cl)c1 1202434319 FHJNBNPYGROOGM-GOSISDBHSA-N 457.966 2.315 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2C[C@H]2CCCN(C(C)=O)C2)c1 1286311571 JWQHBAXDHTUMPI-RBBKRZOGSA-N 464.570 2.444 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H](c2ccsc2)N(C)C)CC1 1286472788 KVUYXUSDFNCILZ-ZJSXRUAMSA-N 472.659 2.438 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H](C(C)C)N2CCCC2)CC1 1286495090 XKHYCVQUFFSRCV-FCHUYYIVSA-N 456.635 2.258 30 10 JEEE C#CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1286499783 OPLXMWXFGIBVGP-UHFFFAOYSA-N 495.609 2.377 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N(CCNC(C)=O)Cc1ccsc1 1286552716 APMUTCVDVUYOFL-ZVDOUQERSA-N 472.615 2.415 30 10 JEEE C=CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1286684846 LDKDYGWFGUPLAC-LJQANCHMSA-N 481.644 2.175 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)Cc1scnc1C 1286787313 REYYOZHTCXDXIB-UHFFFAOYSA-N 478.582 2.378 30 10 JEEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1286790725 OMIYKCXNFJALDT-UHFFFAOYSA-N 452.603 2.449 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCN2CCOC[C@H]2C1 1286792200 QOFJIHOLWCKKTM-HXUWFJFHSA-N 468.602 2.112 30 10 JEEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1300345443 WXBPCRLQBMWQEB-WOJBJXKFSA-N 455.584 2.400 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](O)(Cc2cccc(Cl)c2)C1 1300952322 QXTHURYRLHLJFH-DENIHFKCSA-N 496.033 2.024 30 10 JEEE C=C(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](COC)C1)c1ccccc1 1301008866 CFTTYWWBKJZOIC-CTNGQTDRSA-N 475.615 2.187 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)c2ccco2)CC1 1301576648 GOLWDBGZSUYVMY-UHFFFAOYSA-N 459.528 2.003 30 10 JEEE CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(C(C)(C)C)CC1 1314553735 BFKCIDCLGHPLNZ-UHFFFAOYSA-N 459.620 2.067 30 10 JEEE C=CCN(C(=O)Cc1ccc(C(N)=O)nc1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 1349333457 WFFQBLZMPBDQDJ-UHFFFAOYSA-N 456.549 2.469 30 10 JEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](Cc2ccccc2)C1 1358913066 FCVWMKLJMSNUGD-FGZHOGPDSA-N 471.627 2.484 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1358956447 FZVGEMTXRBBIHE-REWPJTCUSA-N 476.574 2.133 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 1359036010 KHSYJHGELYPXFL-UXHICEINSA-N 458.607 2.184 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2CCc2sc(C)nc2C)CC1 1359040552 ZWFFNMVZQSUJCO-UHFFFAOYSA-N 485.658 2.478 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2CCS(=O)(=O)C(C)(C)C)CC1 1359042194 WFIZHDBQZCEAIO-UHFFFAOYSA-N 487.626 2.133 30 10 JEEE C=C1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCS(=O)(=O)NC)CC1 1359165298 MELDBDYQYIOMIU-KRWDZBQOSA-N 468.624 2.098 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C 1359473679 GHDJTKJHNYAZAX-IKGGRYGDSA-N 466.608 2.176 30 10 JEEE CC(C)N(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1360097228 ACWDEIOERCAACX-FQEVSTJZSA-N 476.589 2.079 30 10 JEEE C#CCN1CCCN(C(=O)[C@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc(C)cc2)CC1 1444338918 SLHWOFJZDXBFQO-XMMPIXPASA-N 451.592 2.278 30 10 JEEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2C[C@@H](O)C[C@@H](O)C2)c1 1465710927 SWZKHSNQPUOXBJ-CALCHBBNSA-N 450.944 2.289 30 10 JEEE COc1cccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@](C)(C#N)C2)c1OC 1504356124 GPMRGBSAMHHZAM-BTYIYWSLSA-N 462.576 2.084 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CNC(=O)c3cccs3)n2CCN2CCCC2)c1 1507552922 VRAUZRKMKOFRII-UHFFFAOYSA-N 491.621 2.422 30 10 JEEE C#CCN(c1nnc(C2CC2)n1CCC1CCN(CC(F)(F)F)CC1)[C@H]1CCS(=O)(=O)C1 1507631112 MEXIVUXIOWKJHE-SFHVURJKSA-N 473.565 2.447 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1Cc1ccc(C#N)o1)[C@@H]1CCS(=O)(=O)C1 1507635060 SDMRHFYXYJXALT-OAHLLOKOSA-N 471.489 2.287 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CC1(N2CCC(OC)CC2)CCCC1 1507637488 QJRIPGRNHVSESU-UHFFFAOYSA-N 475.597 2.422 30 10 JEEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1CCc1nccs1)[C@@H]1CCS(=O)(=O)C1 1507639630 LMLWYKWOMYOTRF-QGZVFWFLSA-N 487.607 2.192 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@](C)(O)CCOC)CC1 1507742530 LBFFGIAVZVMHGW-XMMPIXPASA-N 474.005 2.276 30 10 JEEE C=CCN(CC=C)c1nnc(-c2cc(Br)cn2C)n1CCNC(=O)c1cc[nH]n1 1508015381 TXGKCLYZJSDLFL-UHFFFAOYSA-N 459.352 2.378 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1508073828 PPAKCDGHBHWNDE-GXZWQRSESA-N 493.406 2.121 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCO[C@@H]1CCCC[C@@H]1C 1509683112 GZKPZTOHQVSRHH-IRFCIJBXSA-N 495.632 2.388 30 10 JEEE COCC(C)(C)CCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(C#N)C1 1518673294 AJWLADLTIZDEQT-GCJKJVERSA-N 482.651 2.194 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)N3CCCc4ccc(S(=O)(=O)N(C)C)cc43)cc2C1=O 1530690584 HZKQAOMNWJUJNY-UHFFFAOYSA-N 453.520 2.312 30 10 JEEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCc2nn(C)c(=O)cc2C1 1539095505 FCEGEVZVRPBQMJ-UHFFFAOYSA-N 456.348 2.116 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)o2)n1Cc1ccc(C[S@@](C)=O)cc1)[C@H]1CCS(=O)(=O)C1 1539211589 IZACLHHIPGOOOM-MQFAKOPTSA-N 486.619 2.400 30 10 JEEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1Cc1cnn(CC)c1)[C@H]1CCS(=O)(=O)C1 1539231841 YVBNIFYMLZMYTG-NRFANRHFSA-N 482.610 2.365 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCNS(C)(=O)=O 1539299995 QSUVAMUUUOUIFK-UHFFFAOYSA-N 468.608 2.389 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1Cc1cnn(-c2ccccc2)c1 1539396236 MBAIPYJBVZIUCH-UHFFFAOYSA-N 456.510 2.245 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCCN(CC(C)C)C2)CC1 1539428436 RJOLSFCTQLQIMC-NRFANRHFSA-N 464.618 2.049 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCc2cccc(OC)c2)CC1 1539429686 BMJLBEJQZMDYJG-RUZDIDTESA-N 453.587 2.325 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCOc2cccc(C)c2)CC1 1539431256 SFHDMDYOLWRFGR-VWLOTQADSA-N 453.587 2.461 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCOCC)CC1 1539481709 NBXZQEHBCYZCFC-HXUWFJFHSA-N 488.633 2.395 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1539637479 QVSXFGDYMVRSTI-SUMDDJOVSA-N 451.618 2.238 30 10 JEEE C=CC[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCn2nc(C)nc2C1)c1ccccc1 1539940520 RJKYYDYUSCJOMO-LPHOPBHVSA-N 470.603 2.168 30 10 JEEE C=CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1540860220 UBDVAGFXZKTHJN-FQEVSTJZSA-N 463.586 2.438 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@@H](C)O[C@H](C)C1 1540898441 KKCOHWVDHRONPR-HZPDHXFCSA-N 480.587 2.185 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)c1cccs1 1540903384 DJYWJQPMWYQTBF-LSDHHAIUSA-N 458.631 2.040 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](N2CCCC2)C1 1540903390 CRNURPFBYZWAKK-IBGZPJMESA-N 464.661 2.299 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1CCOc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1588045919 TXBZKLQAOAQAQI-LJQANCHMSA-N 453.568 2.298 30 10 JEEE C#CCN(c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCCC=C)[C@H]1CCS(=O)(=O)C1 1588049367 FOOZMJABEXCXEE-SFHVURJKSA-N 480.594 2.175 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@H](C2CC2)N(C)C)CC1 1588908300 NTJZMVPWTJLWCM-JOCHJYFZSA-N 450.587 2.260 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2CCN2CCOC(C)(C)C2)CC1 1588913584 NRSJFVBKJOVQCW-UHFFFAOYSA-N 468.577 2.161 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1589528499 GWTDXXMQSVDPPH-PKOBYXMFSA-N 456.595 2.290 30 10 JEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2ccccc2C)C1 1594732950 JTAPAWLEUDKNLG-LEWJYISDSA-N 475.615 2.464 30 10 JEEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](c2nnc(C(C)C)o2)C1 1594784310 WNPCODFFSOAXFU-QGZVFWFLSA-N 459.551 2.191 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1595467387 SSMKZNFZZMOQEH-XHNVNVPESA-N 482.585 2.222 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC(C(=O)NCCC)CC1 1595490753 ZAIMZEYJMRFKKX-UHFFFAOYSA-N 492.422 2.091 30 10 JEEE C=CCOc1ccccc1Cn1c(-c2cccn2C)nnc1N(C)CC(=O)N1CCOCC1 1595650103 XCXRFMAJDIPWFE-UHFFFAOYSA-N 450.543 2.192 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCC(N2CCCCC2=O)CC1 1595805520 QCEYMICVDSPQQH-UHFFFAOYSA-N 451.637 2.449 30 10 JEEE CN(C)C(=O)CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCN2CCCO)CC1 1617575199 GUKHRBPEGSDQAV-HSZRJFAPSA-N 479.629 2.358 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)N2CC[C@](CO)(Cc3ccc(F)cc3)C2)ccc1F 1628932297 ODRYWFWJPSPZBL-QFIPXVFZSA-N 450.507 2.496 30 10 JEEE N#Cc1cn(CCNC(=O)c2cccnc2Oc2ccc(Br)cc2)c(=O)nc1O 1633549960 GLDBKGFXYFJRJI-UHFFFAOYSA-N 456.256 2.200 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@H](OCC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C1 1633661967 BPELWIPGZQOXCZ-YESZJQIVSA-N 452.552 2.278 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2CCC(=O)N[C@H](C)CC)c1 1689871802 FPZKGYYEIDLPPE-IEBWSBKVSA-N 452.559 2.143 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1nnc(C(C)(C)C)s1)[C@H]1CCS(=O)(=O)C1 1689986162 JZNYTYNYLDMDLM-HNNXBMFYSA-N 471.612 2.164 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCSCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1689989239 CHKIHRGWQYNJQI-LSDHHAIUSA-N 466.551 2.094 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccco1)N1CCCCC1 1690046975 JFNSKRNUZYQQFX-RTWAWAEBSA-N 469.611 2.463 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccn2C)n1Cc1ccc(CN2CCC(O)CC2)cc1 1690099941 RFLFSQDJIPCHBU-UHFFFAOYSA-N 462.598 2.375 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2CC(=O)NC(C)C)CC1 1690111672 HOBYIWCONWNMFS-IBGZPJMESA-N 454.575 2.097 30 10 JEEE C#CCSCCn1c(COc2ccc(C)cc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1690182979 IWFWTSFWVMKLNN-OAQYLSRUSA-N 469.611 2.360 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1C[C@@H]1C[C@@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1690187921 AEFZJDYVYDEAQR-ANWNFGLHSA-N 486.617 2.433 30 10 JEEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1690465412 ZUUWIWLHPXSMGF-QGZVFWFLSA-N 476.603 2.232 30 10 JEEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC(C=C)CC1 1690662249 WMMUPJBRAOHXLC-UHFFFAOYSA-N 457.604 2.251 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(c2ncc(F)cn2)CC1 1690673048 MPKAHKIMENUMBU-UHFFFAOYSA-N 470.940 2.080 30 10 JEEE COc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@](C)(C#N)C2)cc1OC 1697440900 HEPPLBAWWMHDIN-QVKFZJNVSA-N 462.576 2.084 30 10 JEEE N#C[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCc2ccc(Br)s2)CCO1 1698492822 GDTVOUPLYGZKRO-DGCLKSJQSA-N 451.350 2.025 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@H](C)N1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1705565266 HSMOLWKAYKZRAB-HBMCJLEFSA-N 463.648 2.267 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1CC1(O)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1705568564 QDJUPZRUDJVVKN-HXUWFJFHSA-N 472.611 2.487 30 10 JEEE C=C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1705765083 XTPQMJKMUGCQMB-HXUWFJFHSA-N 454.499 2.253 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(C)s2)CC1 1705781724 GYNDVQVBUSOVPV-GOSISDBHSA-N 451.618 2.432 30 10 JEEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1705812758 LGPMCAGGDWCIAD-FQEVSTJZSA-N 469.615 2.338 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC(N2CCCCC2=O)CC1 1705898811 YKXVEIPXSDRMQB-UHFFFAOYSA-N 482.585 2.246 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCO[C@@H](COC)C1 1705902164 IJQVQHTZRDDUHW-MRXNPFEDSA-N 464.364 2.170 30 10 JEEE CC(C)CN1CCO[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)C1 1706516783 GUWLTGWPRBWROL-IPJJNNNSSA-N 488.658 2.431 30 10 JEEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(C)n(C)c2=O)C[C@H]1C 1712478744 GVHIKOVHBKSING-LJQANCHMSA-N 461.570 2.029 30 10 JEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 1722308309 KHBBTXSMTWPNRC-MOPGFXCFSA-N 478.663 2.167 30 10 JEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ccc(OCC2CC2)nc1 1722345116 AUVIYQQSLIOJPK-UHFFFAOYSA-N 480.594 2.497 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1ccc(OCC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1722363877 CIRUGBURESSSDV-NRFANRHFSA-N 495.605 2.346 30 10 JEEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CCCS(=O)(=O)Cc2ccccc2)CC1 1722439605 IOSRKIMJCQMLJW-UHFFFAOYSA-N 478.622 2.024 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCOc2cccc(F)c2)CC1 1722440885 LRGFWEBVJOVZHC-UHFFFAOYSA-N 468.558 2.243 30 10 JEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1Cc1ccnc(OC(F)F)c1 1722449302 SXDYDLMELIZBSD-UHFFFAOYSA-N 460.441 2.137 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(NC(C)=O)CC1 1722491314 JWPOMACIUODJTE-PXNSSMCTSA-N 453.547 2.012 30 10 JEEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccs1 1722738337 GOKSUDIXCQULRZ-MRXNPFEDSA-N 457.647 2.228 30 10 JEEE CC(=O)N1CCN(CCn2c([C@H](C)Oc3ccccc3F)nnc2N2CC[C@@](F)(C#N)C2)CC1 1722795231 FNUVQGLZINAFFQ-GAJHUEQPSA-N 473.528 2.163 30 10 JEEE CC(C)C[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2C#N)CC1)N(C)C 1723254520 CHTXOFBYUHGMIF-RTWAWAEBSA-N 464.618 2.404 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1CC1(N(C)C)CCCC1 1723909322 HUPKLNMXVOFMPY-KRWDZBQOSA-N 459.620 2.271 30 10 JEEE COCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1730730797 BJKGEGNKLKPQGD-YADARESESA-N 454.575 2.169 30 10 JEEE C#CCN(CC#CC)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@@]1(O)CCS(=O)(=O)C1 1740658699 MQOCJGSOQJOECS-VWLOTQADSA-N 484.622 2.301 30 10 JEEE C#CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1740711488 NUXRVMOFNZEDKU-QGZVFWFLSA-N 463.629 2.086 30 10 JEEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1740714700 HXRUNIFNCDWWNI-BGYRXZFFSA-N 469.659 2.266 30 10 JEEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1740794489 BRDDLRNOPUULTL-FQEVSTJZSA-N 455.559 2.433 30 10 JEEE C=CC[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(C)(OC)C1)c1ccccc1 1740856451 SWXIOZQQKQOQEX-WOJBJXKFSA-N 475.615 2.196 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)Nc1c(C)cccc1C 1740931692 AJIOEERGCNQHRV-IBGZPJMESA-N 488.614 2.045 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1740952635 JWCCYQQKKMAPIO-VFNWGFHPSA-N 476.375 2.394 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1740964101 HFKBWROEGBCSHI-VWLOTQADSA-N 466.586 2.173 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCc2cn[nH]c2)C1 1740981455 OTXOTMPERMAGJH-OALUTQOASA-N 473.578 2.334 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Br)s2)nnc1N1CCN(C(C)=O)CC1 1740987562 IKRIIFKEDRIEFP-UHFFFAOYSA-N 488.433 2.038 30 10 JEEE COC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1748359317 DWGCIDZASCCFMO-QHCPKHFHSA-N 481.645 2.473 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1748918685 NGXNAADVCLWVDT-LEWJYISDSA-N 452.584 2.480 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1C[C@H]1CN(Cc2ccccc2)CCCO1 1748959238 PVWJNYPJGJSUSE-JOCHJYFZSA-N 461.570 2.112 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1([S@@](C)=O)CCC1 1748970357 AOMBUBIHALDODP-PAEXWAINSA-N 479.647 2.436 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(F)cc3Br)n2Cc2cnn(C)c2)CC1 1748982862 DYTATWSEBLYWBJ-UHFFFAOYSA-N 458.339 2.384 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(C)(C)N[C@H](C)c2ccccc2)CC1 1748990016 SPIRRNQDKSCTPR-IRLDBZIGSA-N 484.670 2.065 30 10 JEEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1749044172 OKVRTUSAQSEHLO-INIZCTEOSA-N 455.613 2.363 30 10 JEEE C=C(Br)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@H](C(=O)OC)C1 1749089629 AYAZERDBQPBKTB-HNNXBMFYSA-N 473.335 2.219 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)C(C)C)CC1 1749739299 AFINDAIKKSNHKQ-UHFFFAOYSA-N 489.642 2.379 30 10 JEEE C=CCS(=O)(=O)CCn1c(N(C)Cc2cnccn2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1749740660 XIHSVFHDTQVNQH-CALCHBBNSA-N 491.618 2.076 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](c2ccsc2)O[C@H](C)C1 1760155383 XAJCMFDTJFNIQA-QRQLOZEOSA-N 479.628 2.052 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@H]2NC(=O)CC2(C)C)CC1 1760263421 AIMSFACASPEXOZ-RBUKOAKNSA-N 485.633 2.020 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(OC)c(Cl)c2)CC1 1760268651 NUCMJDMDFDTCAH-UHFFFAOYSA-N 467.961 2.355 30 10 JEEE C#CCSCCn1c(N2CCN(CC(C)C)C(=O)[C@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 1760286185 DZDDUBJSTJAEJC-AUSIDOKSSA-N 463.648 2.378 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)Oc1cccc(C)c1 1760295622 UDAPIPNMEAPGRF-ZCVJKFOLSA-N 487.626 2.379 30 10 JEEE C=C(C)COCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@H](OC)C1 1760352268 ULXARGFMOJMVPO-LJQANCHMSA-N 463.604 2.403 30 10 JEEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCCCS1(=O)=O 1760463659 LFTBOWQCCRXUFF-IRXDYDNUSA-N 469.608 2.176 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCn2nc(C)nc2C1 1760516409 MSUCRTAJBPPJJT-CQSZACIVSA-N 456.938 2.294 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1760517925 CENPGDPMLXRDBF-IBGZPJMESA-N 450.547 2.306 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2cc(C)nn2C)C1 1760540039 ZYTISAKWBIWDRC-IBGZPJMESA-N 456.572 2.220 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@H](COc2ccccc2)C1 1760555729 LNPRCWUJRPTCHD-SFTDATJTSA-N 476.599 2.405 30 10 JEEE CC(C)CCN(CCC#N)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@]1(O)CCN(C)C1 1761076446 ASSRFGYDQGOPEF-RUZDIDTESA-N 478.601 2.025 30 10 JEEE C[C@@H]1OCC[C@]1(O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@](F)(C#N)C1 1763273636 GWZVGQBYISAWJU-QDGJQWLKSA-N 464.542 2.332 30 10 JEEE CCCC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCOC[C@H]2C)CC1 1765398135 GRNZVBSHOPZCBA-LJQANCHMSA-N 465.602 2.423 30 10 JEEE CCNC(=O)C1(Cn2c(-c3cccc(C#N)c3)nnc2N2C[C@H](C)O[C@@H](COC)C2)CCC1 1765608792 FKRLSRIZJKUBAA-FXAWDEMLSA-N 452.559 2.363 30 10 JEEE CCO[C@@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2CC2(S(C)(=O)=O)CCCC2)CCOC1 1765888525 CKKULUVPLAEABB-IRLDBZIGSA-N 465.620 2.418 30 10 JEEE C[C@H](Oc1ccc(Cl)cc1S(=O)(=O)N(C)C)C(=O)ON1C(=O)c2ccccc2C1=O 1772794736 UXMXBSVFARSINR-NSHDSACASA-N 452.872 2.112 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@@H]2c2cc(OC)c(O)c(OC)c2)cc1F 1862646461 GQNTUNFDSZDRDY-HXUWFJFHSA-N 488.468 2.272 30 10 JEEE CCCCCCCCN=c1nc(N(CCO)CCO)[nH]c(=Nc2cc(NC(C)=O)ccc2C)[nH]1 1871622758 BZXDFZFLCIRHDU-UHFFFAOYSA-N 473.622 2.289 30 10 JEEE COCCN1CC(=O)C(c2nc(C)cs2)=C1NC(=O)/C=C/c1ccc(OC(C)=O)c(OC)c1 1873710668 PMHOJDDQFQYAPU-SOFGYWHQSA-N 471.535 2.415 30 10 JEEE COc1cc(/C=N/n2c(CNC(C)=O)nnc2SCC(=O)Nc2ccccc2)ccc1O 1874430869 BMRTVQKIJMFDCQ-FOKLQQMPSA-N 454.512 2.241 30 10 JEEE CCN1CCN(CC#CCOC2CCN(C(=O)c3ncc(Br)cc3C)CC2)CC1 1889332532 BBQZMNQJGSLOSR-UHFFFAOYSA-N 463.420 2.415 30 10 JEEE CN1CCN(CC#CCOC2CCN(C(=O)Cc3cc(F)ccc3Br)CC2)CC1 1889406960 LGKBHMBGVBISCY-UHFFFAOYSA-N 466.395 2.389 30 10 JEEE CC(C)N1C(=O)CS[C@@H](C(=O)N2CCN(c3cc(N(C)C)cnn3)CC2)[C@H]1c1ccc(C#N)cc1 1889627036 IHYHICRIQBBBOP-DNQXCXABSA-N 493.637 2.157 30 10 JEEE N#CC1CCN(CCNC(=O)[C@@H]2CCCN2S(=O)(=O)c2c(Cl)cccc2Cl)CC1 1890509285 ZCBPKAJLRNZUJG-KRWDZBQOSA-N 459.399 2.498 30 10 JEEE CNc1ncc(Br)cc1S(=O)(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 1914863363 QNDGPJDYBYXJAM-MRXNPFEDSA-N 450.362 2.284 30 10 JEEE CC(C)(C)OC(=O)N1CCC(O)(C(=O)NCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CC1 2185165283 WTDPQWQJTKAZSG-UHFFFAOYSA-N 460.380 2.364 30 10 JEEE C=CCN(CCC(=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 2220102101 HQTRAOPAXXRXIO-KZNAEPCWSA-N 453.580 2.486 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1COC[C@@H]1NC(=O)c1ccsc1B1OC(C)(C)C(C)(C)O1 2255797267 DGZJPQWYMKVLKA-HIFRSBDPSA-N 452.382 2.317 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@](C)(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C1 2256621147 QXHZEMCPVHQUCU-HXUWFJFHSA-N 453.370 2.407 30 10 JEEE CC(C)(C)OC(=O)NCC[C@@H]1CN(C(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)CCO1 2266994697 YDRXSZABRPTWGJ-CQSZACIVSA-N 467.397 2.198 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)[C@@](C)(CO)C1 2266999174 WLAYNTIHWMWDHQ-JOCHJYFZSA-N 466.409 2.491 30 10 JEEE CON(CCNC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2267365575 RHHZILJUAQBCAQ-UHFFFAOYSA-N 474.360 2.202 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N(Cc1ccccc1)C1CNC1 2267464125 MCMLPZRDHQTFIE-UHFFFAOYSA-N 458.389 2.157 30 10 JEEE COC1(CCNC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2267540613 TXXQWUFFCFQCEV-UHFFFAOYSA-N 467.397 2.198 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CC[S@@](=O)(=NC(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267588586 OBSZVVVUPACIJP-FTDQSSOUSA-N 465.381 2.286 30 10 JEEE C[C@@H]1OCCN(C(=O)OC(C)(C)C)[C@@H]1C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2268654948 GFEVJPVIWYXJKI-BBRMVZONSA-N 467.397 2.083 30 10 JEEE C[C@@H]1C[C@@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)CN(C(=O)OC(C)(C)C)C1 2281971190 IJXYYNCRMCTHGE-CVEARBPZSA-N 462.400 2.342 30 10 JEEE Cc1nn(C)c(C(=O)N2CC3CC2(CNC(=O)OC(C)(C)C)C3)c1B1OC(C)(C)C(C)(C)O1 2281985024 IYVFXVGLRFCQKT-UHFFFAOYSA-N 460.384 2.157 30 10 JEEE C[C@H]1CCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)[C@H](CNC(=O)OC(C)(C)C)C1 2282043259 MLUVBLUSNVHIQL-HOTGVXAUSA-N 462.400 2.485 30 10 JEEE Cn1nc(C(=O)N2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@]3(C)C2)cc1B1OC(C)(C)C(C)(C)O1 2282052391 NPNZSOVOYPGGFI-WNSKOXEYSA-N 460.384 2.048 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 2282054307 PCBZVMYALMBUCT-DOTOQJQBSA-N 460.384 2.284 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C[C@H]1C2 2282535536 PNXQHUZTJYEMHU-ARFHVFGLSA-N 460.384 2.237 30 10 JEEE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1N(C)C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2282544474 ODIHUOLFYGTUQW-NVXWUHKLSA-N 462.400 2.437 30 10 JEEE C[C@@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2CN1C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2282577654 HUCJHKWVIQNVNJ-OAGGEKHMSA-N 460.384 2.047 30 10 JEEE CC(C)(C)OC(=O)N1CC2(C[C@@H](O)CN2C(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282714079 MYKYTRYJHLNFEL-GOSISDBHSA-N 458.364 2.182 30 10 JEEE CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1CNS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282830430 UKVMJKFZNTUQSM-QGZVFWFLSA-N 481.424 2.305 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@@](NC(=O)c3nccnc3B3OC(C)(C)C(C)(C)O3)(C2)C1 2283067474 DEOVVRJOKHWSJI-NPMXOYFQSA-N 458.368 2.295 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2C[C@@]2(CNC(=O)OC(C)(C)C)C1 2288246603 DYSYFILMJHLBON-IQMFZBJNSA-N 460.384 2.015 30 10 JEEE C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCc1c(F)cccc1B1OC(C)(C)C(C)(C)O1 2289648341 WVLFXUCDBGLPTM-RDTXWAMCSA-N 466.359 2.058 30 10 JEEE COC(=O)c1[nH]c(C)c(C(O)=C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(C)o2)c1C 2296136313 ZUWRZGHOROUGHD-FQEVSTJZSA-N 471.510 2.073 30 10 JEEE CN[C@@H](C#Cc1ccc(Br)cc1)[C@@H](NC(=O)OC(C)(C)C)C1CS(=O)(=O)C1 2296291339 NJJWAIHQZAYMMQ-IRXDYDNUSA-N 457.390 2.327 30 10 JEEE CC(C)(C)OC(=O)N[C@@]1([C@@H](N)C#CC2(S(C)(=O)=O)CCC2)CCN(Cc2ccccc2)C1 2319392521 AYGQBWRMJXASNB-RDPSFJRHSA-N 461.628 2.454 30 10 JEEE CC(=O)NCc1nnc(SCC(=O)N[C@H](C)c2ccccc2)n1N=Cc1ccc(O)c(O)c1 2330794259 KJLMFDJYJONACY-CQSZACIVSA-N 468.539 2.177 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@@]2(COCCN2C(=O)[C@@H]2C[C@H]2B2OC(C)(C)C(C)(C)O2)C1 2359280296 NTWGTNXTGYXZSM-SEPYTNNBSA-N 466.384 2.334 30 10 JEEE CC1(C)OB(c2sncc2C(=O)NC[C@@]23CN(Cc4ccccc4)C[C@@H]2CCO3)OC1(C)C 2362576724 MWEYLRYZEMYEDQ-MHECFPHRSA-N 469.416 2.463 30 10 JEEE C[C@@H](NS(=O)(=O)CCN1C(=O)c2ccccc2C1=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 704368985 MTFTUJNQNUVYAU-MRXNPFEDSA-N 484.383 2.262 30 10 JEEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1c(Br)cc(F)cc1Br 725826106 MXLDGAPOVIIOHO-JTQLQIEISA-N 489.182 2.162 30 10 JEEE C#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1C[C@H](OC)[C@H](C(=O)O)C1 757459887 QTWPHCRMWJOFFZ-PUHATCMVSA-N 462.502 2.475 30 10 JEEE C#CCN(CC(=O)O)C(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@H](C)OC 757549227 KWWPYARZIFWBML-QMHKHESXSA-N 450.491 2.475 30 10 JEEE CC(C)n1cc(C=NNc2nnc(SCC(=O)Nc3sc4c(c3C#N)CCC4)n2N)cn1 1084210015 DCCRNOZEQNRFFI-UHFFFAOYSA-N 470.588 2.368 30 10 JEEE COC(=O)[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)c1ccc2ccccc2c1 1137751716 GLDMDNAYOFJUSV-VFNWGFHPSA-N 451.504 2.409 30 10 JEEE CN(CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 1167499174 DCUWEIUBAMZTLW-RTWAWAEBSA-N 459.566 2.476 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCOC(C)(C)C1 1286295055 HVLPUDZLMYLDJJ-MOPGFXCFSA-N 476.622 2.155 30 10 JEEE C#CCN(c1nnc(COc2ccccc2OC)n1Cc1ccoc1)[C@H]1CCS(=O)(=O)C1 1286397789 UUNHIHQARBSUCG-SFHVURJKSA-N 456.524 2.134 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccnc2)n1Cc1ccc(CN2CCC(O)CC2)cc1 1286459037 IKQPPKOMBYYQFP-UHFFFAOYSA-N 460.582 2.431 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2Cc2ccc(-n3nc(C)cc3C)nc2)n1 1286470000 ODXZFVJEZAWCDG-UHFFFAOYSA-N 459.558 2.315 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H](C)N(C)C2CC2)CC1 1286489160 IATFAKQJGUHLES-INIZCTEOSA-N 455.994 2.442 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2CC(C)(C)C(=O)NCC)CC1 1286492066 FWNANZQPIOBSSD-UHFFFAOYSA-N 480.613 2.294 30 10 JEEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)Cc1ccon1 1286500833 ZZEDWXRWXVPRFY-UHFFFAOYSA-N 460.585 2.186 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc(OC)cc1OC 1286518061 YIXMWHBTXXAMKR-KSFYIVLOSA-N 461.588 2.140 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1286558322 NITBUMYGAZTADO-BWKNWUBXSA-N 481.645 2.236 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccc2F)nnc1N1CCO[C@@H](CNC(C)=O)C1 1286558362 OAJCSQVBKPARJK-JTAQYXEDSA-N 457.550 2.331 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1NC(=O)CC1(C)C 1286741242 FALRVJMHDXGAGH-UXHICEINSA-N 482.610 2.159 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(CCN2CCCC[C@@H]2C)CC1 1286779500 UKLIQCHKQLQMCL-FQEVSTJZSA-N 471.650 2.297 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCN2CCOC[C@@H]2C1 1286792199 QOFJIHOLWCKKTM-FQEVSTJZSA-N 468.602 2.112 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCN(c2ccccn2)CC1 1286792432 XQDCZYYDWALSMB-UHFFFAOYSA-N 461.570 2.498 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(N3CCOCC3)cc2)C1 1286798060 HDQDKGKKWKLDNH-NRFANRHFSA-N 454.575 2.083 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1286802303 SIYOJDPKAWSMKV-FOIQADDNSA-N 470.954 2.069 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N(C)Cc1ccccn1 1286822601 LHQAUZYHMZFDAP-UHFFFAOYSA-N 451.556 2.149 30 10 JEEE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CCC2)C1 1286844368 FRPACUVZYUDTOC-LJQANCHMSA-N 470.599 2.089 30 10 JEEE COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC2(C(N)=O)CCCC2)cc1Br 1300076395 FYATYFOBFOQZIX-OAHLLOKOSA-N 489.374 2.491 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2C[C@H]2NC(=O)CC2(C)C)c1 1300336569 JTYMVTLCTYDYOI-RTBURBONSA-N 450.543 2.101 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1CC1(C)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1300501105 GYUFNJHBYOSENL-GOSISDBHSA-N 463.629 2.077 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ccc(OC)c(F)c2)CC1 1301087171 WQKZREURJALMSJ-FQEVSTJZSA-N 479.578 2.158 30 10 JEEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 1301198154 YARCIJKRSFOBAB-LEWJYISDSA-N 471.650 2.297 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1301490255 OOQOUVFLQICGRA-SFHVURJKSA-N 458.994 2.449 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CC[C@@H](CN(CC)CC(F)(F)F)C1 1301501349 VELVKEWPRQXRMS-IRXDYDNUSA-N 458.529 2.185 30 10 JEEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1301502850 QLACVRLISAZNRO-PXAQALGRSA-N 461.513 2.222 30 10 JEEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@H]3CCCN3C[C@@H]2C)cc1 1301518013 FPHMNQFZJYBWFE-CMKODMSKSA-N 474.631 2.174 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCNS(=O)(=O)CC)C1 1301566613 AESQVJZZYQKXMR-ROUUACIJSA-N 498.650 2.071 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCN(C(C)C)CC1 1301575174 CTGPQKQOYVUJSM-UHFFFAOYSA-N 462.576 2.375 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1C[C@H](C)O[C@H](COC)C1 1301577861 TVKJTTTYULPENR-YJBOKZPZSA-N 454.980 2.439 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N(C)CCN1CCOC(C)(C)C1 1301578160 YSGVMXDGQJDKEG-UHFFFAOYSA-N 483.038 2.141 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2c[nH]c3ccccc23)nnc1N1CCN(C(C)=O)C[C@@H]1C 1301579593 XFWHZYAREJLJTG-INIZCTEOSA-N 456.572 2.084 30 10 JEEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(C2CCCC2)CC1 1301594601 HJZABYBPQQVUCB-KRWDZBQOSA-N 456.682 2.262 30 10 JEEE CC(=O)NC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C(C)C)N2CCCC2)CCO1 1301902335 HHZDSBYROXVBBO-GOTSBHOMSA-N 465.602 2.278 30 10 JEEE CC(C)CCN1CCC(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)CC1 1303089473 BWIHBPNGCPUYCO-LAUBAEHRSA-N 469.631 2.088 30 10 JEEE C=CC[C@@H](NC(=O)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1)c1ccncc1 1312022039 QXIBAFBVIGPLNJ-MRXNPFEDSA-N 458.569 2.420 30 10 JEEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)C(C)C)CC1 1358930040 MYPLJUWSNJKWCT-IBGZPJMESA-N 474.606 2.305 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1358958903 YCKFIEARTWZDAM-OAQYLSRUSA-N 486.598 2.356 30 10 JEEE C#CCN(c1nnc(Cn2ccc3ccccc32)n1CC(C)(C)C(=O)NCC)[C@H]1CCS(=O)(=O)C1 1358966808 XDLLANIBMXROPU-FQEVSTJZSA-N 496.637 2.070 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(OC)c(Br)c1 1358978316 JFXXOQBYPJNMQP-KRWDZBQOSA-N 491.411 2.267 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@H]2CCN(CC)C2)CC1 1359039717 STPGCOIRINLRNN-RTWAWAEBSA-N 471.650 2.447 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccccc2COCCC)CC1 1359040360 QUZDOVSJHDSGJD-UHFFFAOYSA-N 492.624 2.455 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCCN(C)CC(F)(F)F)CC1 1359045121 XQBGPIHJOWXBFI-GOSISDBHSA-N 470.540 2.370 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(F)(F)F 1359254784 CKQFHKNHFARRHS-QGZVFWFLSA-N 489.520 2.375 30 10 JEEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 1359303422 NSVXUCQIWMAVKW-IBGZPJMESA-N 465.558 2.450 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@](C)(OC)CC1 1359334775 QPNOQMDXXTVULT-NRFANRHFSA-N 450.609 2.136 30 10 JEEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN1C(=O)OC(C)(C)C 1360475995 GOHKXNGLELUCAN-BRWVUGGUSA-N 466.608 2.318 30 10 JEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C[C@@H]2CCCc3ccccc32)C(=O)OC)cc1 1447435515 NNROWNBYXXZUTN-UGKGYDQZSA-N 454.548 2.380 30 10 JEEE Cn1cc([C@@H]2CN(C(=O)[C@H]3CC(=O)N(c4ccc(C#N)cc4)C3)C[C@H]2NC(=O)OC(C)(C)C)cn1 1452021167 BGSXWAPLRJWBIT-DZFGPLHGSA-N 478.553 2.164 30 10 JEEE COc1cc(C#N)ccc1NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1458655847 GQXKCXIEBRJANY-UHFFFAOYSA-N 457.508 2.377 30 10 JEEE C#Cc1cccc(NC(=O)NC(=O)CN2C(=O)N[C@](C)(c3ccc(OC(F)F)cc3)C2=O)c1 1458740193 NWGJWSGCIGROIR-JOCHJYFZSA-N 456.405 2.385 30 10 JEEE CCN1C[C@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CC(=O)N(CCOC)C2)C[C@@H]1C 1502249188 IAKCSOWJOYSLQF-ZJOUEHCJSA-N 465.602 2.231 30 10 JEEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1507603011 KMMUAPFYLMQZKF-GOSISDBHSA-N 483.491 2.303 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1cn(CCCC)nc1C)[C@H]1CCS(=O)(=O)C1 1507635570 TUEJHWABIUZPTB-QFIPXVFZSA-N 481.626 2.244 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@@H]1CC(F)(F)CO1)[C@H]1CCS(=O)(=O)C1 1507639024 IRXAFJHPDNARPK-HOTGVXAUSA-N 484.500 2.047 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc(Br)s1 1507642636 LWEPMKFLXINCOT-CYBMUJFWSA-N 470.418 2.028 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H]1CCN(S(C)(=O)=O)C1 1507664436 LLSHLXBUQKAJJS-KRWDZBQOSA-N 476.002 2.352 30 10 JEEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCNC(=O)c1ccccc1F 1507687778 UAWHWXKMMHIRJY-UHFFFAOYSA-N 483.573 2.267 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@H]2CCS(=O)(=O)C2)CC1 1507722138 PXHHXWNQUHCPHP-LEWJYISDSA-N 471.627 2.225 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2Cc2cccnc2OCC)CC1 1507738881 GRMBQLKGBQCIAK-HXUWFJFHSA-N 452.559 2.328 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 1507751802 REQPFDGULHIFKT-MSOLQXFVSA-N 497.687 2.288 30 10 JEEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1507774380 CZKOCVLDAXTSHE-OAHLLOKOSA-N 463.384 2.220 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 1507843892 XRXQQQGBVDDDNV-OALUTQOASA-N 471.537 2.361 30 10 JEEE C=C(Cl)Cn1c([C@H](C)OCCOC)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1507857781 SFZMXSMLXTXKDV-HNNXBMFYSA-N 452.943 2.450 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCS(=O)(=O)CC1)C(C)C 1508015007 ZQNXFHZFYNHJKB-UXHICEINSA-N 451.637 2.453 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 1508142167 QXRISZVXHGGZQW-UHFFFAOYSA-N 463.629 2.479 30 10 JEEE C=CCSCCn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1508160475 UPQGXMKXVXNUDG-ZWKOTPCHSA-N 455.650 2.096 30 10 JEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1539132604 OGKVHCJGKPXMFO-RTBURBONSA-N 456.616 2.230 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1CCCc1cccc(C)n1)[C@H]1CCS(=O)(=O)C1 1539210169 BEZXRUJQLJUVIF-FQEVSTJZSA-N 450.568 2.303 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(NC(=O)C2CCC2)c1 1539296815 UORJNRKWEBBMDT-GOSISDBHSA-N 482.610 2.138 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H](C)N1CCN(CC)CC1 1539301182 LXBUWDORQXQWTE-OAQYLSRUSA-N 464.614 2.451 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1(CS(C)(=O)=O)CC1 1539320476 UPTUCPKDXRTFHC-UHFFFAOYSA-N 454.552 2.004 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC1=CCc2ccc(OC)cc21 1539416366 MRLRBCLSIOEVLN-HXUWFJFHSA-N 470.595 2.305 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccccc1)N1CCCC1 1539417017 WXENMOICBGPWOL-FGZHOGPDSA-N 471.627 2.103 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cc(Cl)c(OCC)c(OC)c2)CC1 1539446143 RWNQNPXAYPVNBR-SFHVURJKSA-N 472.977 2.093 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCCc2nnc(C)s2)CC1 1539475289 APVSSGJNUOTYSD-UHFFFAOYSA-N 452.588 2.042 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2Cc2cccc(OCC(=O)N(C)C)c2)CC1 1539481343 LMWTYVGIQVRVPQ-UHFFFAOYSA-N 494.640 2.348 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2CC2CCOCC2)CC1 1539489800 YDUBOGMIRXMUFM-UHFFFAOYSA-N 451.571 2.292 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)s2)n1CCS(=O)(=O)NC 1539546778 MKSBXMSIWISOCO-MRXNPFEDSA-N 458.407 2.310 30 10 JEEE C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1539686134 IBOYWQGZXWAZSJ-MRXNPFEDSA-N 499.435 2.243 30 10 JEEE C=C(Cl)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(CCS(C)(=O)=O)C1CC1 1539793474 FWXGPZAWZRZCGB-UHFFFAOYSA-N 476.990 2.441 30 10 JEEE C=CCCOCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(C(=O)NCC)CC1 1540033532 KWKSXIVEPZLEME-UHFFFAOYSA-N 466.546 2.038 30 10 JEEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1540035973 ITRHSDLPAYBITI-OAQYLSRUSA-N 457.623 2.437 30 10 JEEE C=CCN(CC=C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCN1CCOC[C@H]1C 1540154488 YNDLQKHDQBJLRC-GOSISDBHSA-N 473.647 2.446 30 10 JEEE C=CCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1540855128 BZCXJMMANPVUCU-INIZCTEOSA-N 456.616 2.491 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2cccc(F)c2F)C1 1540883710 DAROFKYZXOXNAD-GDBMZVCRSA-N 455.531 2.191 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc3cccnc23)nnc1N1CC[C@](C)(C(=O)NC)C1 1540899864 CODGZIGOQOUKNO-QHCPKHFHSA-N 468.583 2.057 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(F)(F)F)CC1 1540900303 QTCIHMDGIHSRTJ-UHFFFAOYSA-N 468.505 2.102 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC(=O)N(C)[C@H](C)C1 1540907299 RMTRVLMECYYUPB-GOSISDBHSA-N 489.642 2.422 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCCC1CCCC1 1541941306 IELFHGXZEFFUIN-SFHVURJKSA-N 486.646 2.452 30 10 JEEE CN(C[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)CCCO2)C1)S(C)(=O)=O 1554228855 HVESPCNXVWLQTN-XXBNENTESA-N 472.615 2.494 30 10 JEEE C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H](CC(N)=O)NC(=O)OCC1c2ccccc2-c2ccccc21 1570505437 FFSYSPRZAAPDHE-FNVCAUGXSA-N 463.534 2.476 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H]1CCCOC1)[C@H]1CCS(=O)(=O)C1 1588040974 TUFOUOLWGKGOKT-ROUUACIJSA-N 474.583 2.016 30 10 JEEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H](C(C)C)N1CCOCC1 1588270971 BPYZJTOKIQFCEM-FQEVSTJZSA-N 487.674 2.363 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCOC3)n2C[C@@]2(O)CCCC2(C)C)n1 1588722577 DFTSXPRDQXXXTI-DVECYGJZSA-N 456.591 2.206 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCNC(=O)c2ccco2)CC1 1588741927 LANNDTVHQTUKGK-GOSISDBHSA-N 466.517 2.335 30 10 JEEE C#CCSCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1588985103 OECNRSPIXWXBFN-DLBZAZTESA-N 481.619 2.394 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ncc(CC)s2)CC1 1594241552 UMCJDNPJRUVYHR-SFHVURJKSA-N 480.660 2.275 30 10 JEEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](CN2CCCCC2)C1 1594626008 KENUSTYYRNSIFQ-LEWJYISDSA-N 480.679 2.280 30 10 JEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 1594813358 RFLOBCSSFHKQNG-ROUUACIJSA-N 483.635 2.124 30 10 JEEE C=CCCOCCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1594830306 VUKZTIBOMKAOLK-MXBUBSDBSA-N 450.580 2.369 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC=CCO1 1595133121 CCWLIBARALGESE-TZIWHRDSSA-N 491.589 2.288 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCCn2cnnn2)C1 1595674230 ODKSLSZWWKRINN-IBGZPJMESA-N 451.535 2.005 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(CCC(N)=O)CC1 1595765762 GHIUBDOZFPZEGA-UHFFFAOYSA-N 499.435 2.118 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1C[C@H](C)O[C@@H](c2ccccc2)C1 1595784475 GRYIXUIIZOSAJI-FXAWDEMLSA-N 456.572 2.246 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1595824151 XFYJWQHNYRKNSN-LJQANCHMSA-N 481.582 2.057 30 10 JEEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCNS(=O)(=O)Cc2ccon2)C[C@@H]1C 1612917072 IAAOIQHGBCJHKQ-IYBDPMFKSA-N 455.544 2.017 30 10 JEEE CC[C@H](C)[C@@](C)(O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2C#N)CC1 1613112650 HWWSXCHMUHRLNX-KDLAUNOPSA-N 451.575 2.225 30 10 JEEE CCN(C[C@H]1CCCO1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1615562834 BEJAIBWEMIIOSI-UYAOXDASSA-N 458.588 2.104 30 10 JEEE CN(C)S(=O)(=O)c1ccccc1Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@@](C)(C#N)C1 1617705582 AVHQRKJGZXFNIP-GCJKJVERSA-N 458.588 2.211 30 10 JEEE COCCN(C)CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@H](C#N)C1 1619881726 CJCFINIKDSYPNX-OAQYLSRUSA-N 456.591 2.462 30 10 JEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](O)CS(=O)(=O)c1cccs1 1631272338 LCZGWGBUJWVOCN-STQMWFEESA-N 452.982 2.035 30 10 JEEE Cc1cc(N2CC[C@@H](NC(=O)CNC(=O)c3ccc(C#N)cc3)C2=O)ccc1Br 1632486759 CEAQVPLHHCGYSN-GOSISDBHSA-N 455.312 2.281 30 10 JEEE C#Cc1cccc(NC(=O)CNC(=O)Nc2cccc(S(=O)(=O)NCc3ccco3)c2)c1 1660303607 YUDXJZSDWNPRGR-UHFFFAOYSA-N 452.492 2.500 30 10 JEEE C=CCn1cc2ccc(NC(=O)N3CCN(c4ccccc4S(=O)(=O)NC)CC3)cc2n1 1675013076 QPGCKNGYZXLSID-UHFFFAOYSA-N 454.556 2.485 30 10 JEEE C#CCN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1CCCS(=O)(=O)C1 1690057810 IVAUUBQKPBDDEA-KRWDZBQOSA-N 463.991 2.146 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1Cc1ccc(C)cc1O[C@H]1CCOC1 1690099824 MVOHDPBCXNVSIC-NRFANRHFSA-N 450.543 2.289 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](OC)c2ccc(F)cc2)CC1 1690146615 SDZFFQUJKDQJCG-TZIWHRDSSA-N 455.534 2.275 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1CCN1CCN(C(C)=O)CC1 1690264480 VOORCWRISMDLTR-UHFFFAOYSA-N 464.574 2.160 30 10 JEEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)CCc1ccccc1 1690345717 BKYSSJPFBJTLKW-GOSISDBHSA-N 453.996 2.433 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCS(=O)(=O)N(C)C)CC1 1690373784 JHIHRGGZZRQVDR-GOSISDBHSA-N 482.651 2.440 30 10 JEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccccc2CN2CCOCC2)CC1 1690397204 XZCJOOUZSHAYPD-LJQANCHMSA-N 488.658 2.171 30 10 JEEE C=CCC(C)(C)Cn1c(N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)nnc1[C@@]1(OCC)CCOC1 1690439746 OHTKWMSKNIASJM-DNQXCXABSA-N 474.606 2.347 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCNC(=O)C(C)(C)C)C1 1690689305 BHQIZZGVFRSDAA-SFHVURJKSA-N 475.615 2.292 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CCNS(=O)(=O)c2ccc(C)s2)C1 1690700014 MOHAZIIAZWOICG-MSOLQXFVSA-N 481.644 2.302 30 10 JEEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(C(N)=O)CCOCC1 1692660712 FHHOWYPSRLENKK-MSOLQXFVSA-N 489.621 2.413 30 10 JEEE CC[C@@H](C)NC(=O)c1cccc(Cn2c(Cn3nc(C)cc3C)nnc2N2CCO[C@H](C#N)C2)c1 1694263152 DGDIZUOHFCBYAS-VGOFRKELSA-N 476.585 2.445 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2CC(C)(C)C(=O)NCC)CC1 1705650928 CWWVCBTXPBFFJG-UHFFFAOYSA-N 484.576 2.124 30 10 JEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1705652649 HTRQQIATLHITDV-UHFFFAOYSA-N 465.505 2.252 30 10 JEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN([C@@H](C)c2nccs2)CC1 1705663666 BMEDHBBERCDMTQ-KRWDZBQOSA-N 459.645 2.107 30 10 JEEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1cccnc1N1CCOCC1 1705837390 ZLOSFNUHGDJNDG-UHFFFAOYSA-N 497.625 2.098 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1705933329 CICXYQHPMGZVQR-ROUUACIJSA-N 463.991 2.447 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CC(C)(C)OC(C)(C)C1 1705937685 BJGKAKVQXQABPY-UHFFFAOYSA-N 450.609 2.134 30 10 JEEE N#Cc1ccc(OCc2nnc(N3CCO[C@H](C(F)(F)F)C3)n2C[C@H]2CCCCS2(=O)=O)cc1 1712880388 HMPQOPOFRZJYHL-MSOLQXFVSA-N 499.515 2.464 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CCc1cccs1)[C@H]1CCS(=O)(=O)C1 1722359590 UVAFWSPFOMOKLI-KRWDZBQOSA-N 463.629 2.127 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1Cc1cn(C2COC2)nn1 1722372873 FRTXCNZBUVHDPW-MRXNPFEDSA-N 451.918 2.355 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCCN2CCN(CC)CC2)CC1 1722432223 XHCRJKADVMFQAO-JOCHJYFZSA-N 483.636 2.340 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCN(C)[C@@H](C)CC)CC1 1722437379 MEYMHMXJVGTMFY-LEWJYISDSA-N 489.665 2.072 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2cccs2)CC1 1722449728 OUQAGIFXHLIVOM-UHFFFAOYSA-N 468.608 2.345 30 10 JEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 1722458411 IXOHMXNCDWGDBU-NVXWUHKLSA-N 488.017 2.499 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@](C)(O)c2ccc(F)cc2)CC1 1722582193 MKFNECNEPUPXNQ-NZQKXSOJSA-N 493.605 2.060 30 10 JEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(c2ccccc2)CC1 1722630169 WVNGRWWPBHTQHI-FQEVSTJZSA-N 459.616 2.490 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N(C)Cc1cc(OC)ccc1Br 1722697941 RKHNJXOGFLFLSS-UHFFFAOYSA-N 472.347 2.445 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1Cc1ccccc1 1727222202 AGAGBDACAYHKRG-UHFFFAOYSA-N 475.601 2.485 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC(=O)NCC(F)(F)F 1740561923 HHDDDXBUEVDPHR-MCIONIFRSA-N 458.485 2.185 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@](C)(O)c1ccco1 1740663967 COKYATKTYDQZAY-QFIPXVFZSA-N 457.556 2.156 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2CCS(=O)(=O)CC2CC2)CC1 1740704810 XYKFVFVCHROVFA-UHFFFAOYSA-N 469.611 2.044 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2CCNC(=O)Cc2cccc(F)c2)CC1 1740708585 UZQVERGNUZHSAK-UHFFFAOYSA-N 494.615 2.475 30 10 JEEE C#CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1740711865 SRTKCSNMLMMJFM-UHFFFAOYSA-N 477.594 2.141 30 10 JEEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N(C)Cc1ccc(C(=O)NC)cc1 1740716098 LVTQJPWDWYCFLI-UHFFFAOYSA-N 466.567 2.368 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C1CCCCC1)N(C)C 1740732296 YKZIYQCOOTUCLK-AWRGLXIESA-N 492.690 2.114 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1CC1(CS(C)(=O)=O)CC1 1740733246 ADFQZDHOQKASQO-HXUWFJFHSA-N 461.613 2.087 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1740753924 AUTOBQGOIBYROB-GHTZIAJQSA-N 474.009 2.185 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CCN(CC(C)C)C(=O)C1 1740954819 SBPYZFKFNSYWOM-UHFFFAOYSA-N 481.420 2.376 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC(C#N)CC1 1740957995 GMMGOZJMKTZOMY-GOSISDBHSA-N 457.579 2.435 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCN2CCN(C)C(C)(C)C2)C1 1740972392 HPMSORRFJWPDII-SQJMNOBHSA-N 476.666 2.126 30 10 JEEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CCNS(=O)(=O)c1ccc(C)s1 1748684165 DKOCSJMWPUMMGD-AWEZNQCLSA-N 492.652 2.076 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCSCc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1748802658 QTOWFBSFBVGVQM-FQEVSTJZSA-N 489.667 2.285 30 10 JEEE C#CCN(c1nnc(C2CCC2)n1Cc1ccccc1OCCN(C)C)[C@@H]1CCS(=O)(=O)C1 1748815992 VGCYDIBDODSPIJ-OAQYLSRUSA-N 471.627 2.161 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCc1ncc(CC)s1)[C@@H]1CCS(=O)(=O)C1 1748817095 FCPULFAIEPHVCH-IAGOWNOFSA-N 463.629 2.060 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cccnc1OC 1748857847 GHIHQHMLTWBLMM-IBGZPJMESA-N 466.542 2.111 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2CC2(S(C)(=O)=O)CCCC2)CC1 1749015938 SVJGANAVTBGEGY-UHFFFAOYSA-N 497.665 2.387 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1749020638 ZFQUILVFGSRNOM-UHFFFAOYSA-N 496.685 2.287 30 10 JEEE C#CCSCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(C)C(=O)C1 1749037121 BCCQEEZLHHVTNU-QGZVFWFLSA-N 462.620 2.037 30 10 JEEE C#CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1749037984 LXKQQMZWMQLBHH-QRVBRYPASA-N 495.646 2.193 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1749039570 WSQPHDVMLXNTRH-OKZBNKHCSA-N 497.687 2.286 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)OCC(C)C)CC1 1749137239 XCSGSVBLNNPRDV-SIKLNZKXSA-N 474.606 2.296 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nc(C2CC2)cs1 1749158843 MEKUTGMUVNDUMI-QGZVFWFLSA-N 466.633 2.396 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1C[C@H](C)O[C@H](COC)C1 1749657699 BCQCLMMSTRFWBJ-YOEHRIQHSA-N 464.364 2.250 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1749725708 WUMOQDDZWHHWPJ-OAQYLSRUSA-N 492.609 2.313 30 10 JEEE C=CCSCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1749760073 BCPVZEZUQSNTJR-NRFANRHFSA-N 483.686 2.229 30 10 JEEE C#CCCCn1c(Cc2ccccc2OC)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1760155606 CQFNIOKSVHPFIN-IBGZPJMESA-N 459.616 2.399 30 10 JEEE C#CCN(CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1cccn(CC)c1=O 1760237949 BIGWYSDVCSGABY-UHFFFAOYSA-N 473.625 2.332 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2Cc2ccc(OC)nc2OC)CC1 1760271439 XXDXGKHIADJQMK-UHFFFAOYSA-N 488.592 2.490 30 10 JEEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@@H](C(F)(F)F)C1 1760279804 KAWAWKRENQGYDB-MRXNPFEDSA-N 478.500 2.326 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1760317260 CVJAZASJJNREJB-ZJSJBZJDSA-N 471.514 2.195 30 10 JEEE C=CCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(NC(C)=O)CC1 1760446363 OXMJIDWEBHZZAZ-UHFFFAOYSA-N 461.588 2.046 30 10 JEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 1760510166 IRKBKLZNNOFQIE-QZTJIDSGSA-N 485.969 2.167 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(c2nccs2)CC1 1760517224 GXBPTYONOCHFAS-UHFFFAOYSA-N 486.623 2.491 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1760554579 HKECWVYCLRPVJK-UEXGIBASSA-N 475.615 2.310 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1Cc1cnn(C)c1 1764176029 AQWQPGZTUZBTMM-UHFFFAOYSA-N 461.574 2.177 30 10 JEEE CCN(C)C(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)Cc1ccc(C#N)cc1 1764687170 HXSDORDPBFLVPB-UHFFFAOYSA-N 480.598 2.225 30 10 JEEE CCCC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1765397717 AAFZRVBITGBFTJ-OAQYLSRUSA-N 499.641 2.126 30 10 JEEE CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1766691549 GYJMWPZXYCJBBJ-OAQYLSRUSA-N 466.567 2.148 30 10 JEEE CN(c1nnc(-c2ccc(C#N)cc2)n1C[C@](C)(O)c1cccs1)[C@@H]1CCS(=O)(=O)C1 1768539137 FJEKCGGXLCIESB-UTKZUKDTSA-N 457.581 2.409 30 10 JEEE CS(=O)(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCS2)CC1 1771363511 DXWTZSYPEJLJHA-IBGZPJMESA-N 476.628 2.142 30 10 JEEE N#Cc1ccccc1S(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc3nc(O)[nH]c3c2)cn1 1858293242 QUELTOQETKCSQJ-UHFFFAOYSA-N 470.492 2.137 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)COc2cccnc2NC(=O)N[C@H](CC)C(=O)O)nc1C 1858791211 CWLZYURJTOEAFT-GFCCVEGCSA-N 477.499 2.192 30 10 JEEE N#C[C@@H](c1cccs1)N1CCC(C(=O)NCC(=O)N2CCN(c3ccccc3)CC2)CC1 1868782900 MPWOBXZKQDWSQQ-NRFANRHFSA-N 451.596 2.490 30 10 JEEE COCCn1c(C(=O)N2CCC(N(C)c3cc(C#N)ccn3)CC2)cc2c(=O)n3ccccc3nc21 1891540698 QXYYJDVBGXHCIN-UHFFFAOYSA-N 485.548 2.303 30 10 JEEE CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)N1C[C@H]2[C@H](B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2180983797 FTUIFWHEBVBVFQ-IDCNUPLLSA-N 465.400 2.203 30 10 JEEE CN(C(=O)OCc1ccccc1)C1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cn2C)C1 2247857628 WIDLKZJUVHBLPQ-UHFFFAOYSA-N 453.348 2.417 30 10 JEEE CC(C)(C)OC(=O)NCc1nnc(NC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)o1 2255647186 UYOUYPIMPXENPG-UHFFFAOYSA-N 451.314 2.102 30 10 JEEE CN(CC1CN(C(=O)OCc2ccccc2)C1)C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2255696809 ZFPCGDSPAWXLQV-UHFFFAOYSA-N 466.347 2.116 30 10 JEEE CC1(C)OB(c2cscc2S(=O)(=O)NC2[C@H]3CN(Cc4ccccc4)C[C@H]23)OC1(C)C 2255795636 WQMSRBSSYJNUNG-IRXDYDNUSA-N 460.430 2.456 30 10 JEEE CC1(C)OB(c2cc(C(=O)NC[C@@H]3CN(C(=O)OCc4ccccc4)CCO3)co2)OC1(C)C 2255818597 NHLWXSZLEKDJSA-LJQANCHMSA-N 470.331 2.346 30 10 JEEE CC(C)(C)OC(=O)N1CCC(CC(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)CC1 2256626630 MFGRPBZCALANII-UHFFFAOYSA-N 452.386 2.235 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](CNC(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)CO1 2267012964 CTEZCHYRCWRAFO-ZBFHGGJFSA-N 450.341 2.238 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](S(C)(=O)=O)[C@H](NC(=O)[C@H]2C[C@@H](B3OC(C)(C)C(C)(C)O3)C2)C1 2267116417 OGFAEHUSWGDGJH-QXSJWSMHSA-N 472.413 2.008 30 10 JEEE CC(C)(C)OC(=O)N[C@@]12C[C@@H]1CN(S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1)C2 2267466892 IRZWSCWCUKWPLK-QVKFZJNVSA-N 484.449 2.476 30 10 JEEE Cn1cc(C(=O)N[C@@H](CNC(=O)OCc2ccccc2)C(F)(F)F)nc1B1OC(C)(C)C(C)(C)O1 2267503284 BAQVPIDVILZYBK-INIZCTEOSA-N 496.295 2.306 30 10 JEEE CN(CCOCCN(C)C(=O)c1sncc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2267547548 LXIQWPOPJDWCQI-UHFFFAOYSA-N 469.413 2.398 30 10 JEEE Cn1ncc(C(=O)N[C@@H]2[C@@H]3CCCCN(C(=O)OC(C)(C)C)[C@H]32)c1B1OC(C)(C)C(C)(C)O1 2281825613 ARSXIWBESDHXHS-USXIJHARSA-N 460.384 2.237 30 10 JEEE COCCOCCN(Cc1ccccc1)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nn(C)c1C 2281992244 LQVJLYOQJUXYOT-UHFFFAOYSA-N 457.380 2.333 30 10 JEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)CN1C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2282034243 FLKVJBYFJVJRLQ-HOTGVXAUSA-N 462.400 2.437 30 10 JEEE CC(C)(C)OC(=O)N1CCCC[C@@H]2[C@H](NC(=O)c3ncncc3B3OC(C)(C)C(C)(C)O3)[C@H]21 2282188534 XEJGEXYWSXHMNH-HFTRVMKXSA-N 458.368 2.294 30 10 JEEE CC(C)(C)OC(=O)N1CCC(OCCNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)CC1 2282202350 BTDMWEPOYLNAEQ-UHFFFAOYSA-N 463.384 2.460 30 10 JEEE CN(CCOCCNC(=O)OC(C)(C)C)S(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2282339771 XBHDQXHAQABFKH-UHFFFAOYSA-N 484.424 2.148 30 10 JEEE C[C@H]1CN(C(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)C[C@@H](C)[C@@H]1NC(=O)OC(C)(C)C 2282543786 LTJZIEWUEJYGKS-QLPKVWCKSA-N 462.400 2.341 30 10 JEEE Cn1cc(C(=O)N2CCC(C)(CNC(=O)OC(C)(C)C)CC2)nc1B1OC(C)(C)C(C)(C)O1 2282547317 ZYABVCMADKVNJH-UHFFFAOYSA-N 462.400 2.486 30 10 JEEE Cn1cc(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C(F)F)c(B2OC(C)(C)C(C)(C)O2)n1 2282586066 UCSHKJPTACPJSM-AEFFLSMTSA-N 460.334 2.215 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1F 2282587764 PNWPEMPAOVYRKC-HOTGVXAUSA-N 466.363 2.280 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CC[C@H]2NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2282708417 MFDBNXDPIHTZMY-ZMSDIMECSA-N 458.368 2.151 30 10 JEEE C[C@H]1CC[C@@H](NC(=O)C(F)(F)F)CN1C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1O 2282816145 IREIJVYVXWJDMC-GXTWGEPZSA-N 456.270 2.363 30 10 JEEE CC1(C)OB(c2ccc(C(=O)NC[C@@H]3CN(C(=O)OCc4ccccc4)CCO3)c(O)c2)OC1(C)C 2282878152 BRQKGUZVYUBBIL-HXUWFJFHSA-N 496.369 2.459 30 10 JEEE CN(C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccccc1B1OC(C)(C)C(C)(C)O1 2284041057 NPRGNSZIXFUJMS-LJQANCHMSA-N 461.412 2.447 30 10 JEEE CO[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2284042083 RGJUQJFDLXDZJL-JKSUJKDBSA-N 481.424 2.331 30 10 JEEE CC(C)(C)OC(=O)NC12COC(C(=O)Nc3ncc(B4OC(C)(C)C(C)(C)O4)cc3F)(C1)C2 2284066993 CRBAEBVULQYMRN-UHFFFAOYSA-N 463.315 2.285 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CC[S@@](=O)(=NC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C1 2315699197 PULWDHWUTXNCSQ-VEWZGRNOSA-N 471.410 2.348 30 10 JEEE Cc1nc(C(=O)NCCOC2CN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2337062098 IVKRAPUEIBSZIQ-UHFFFAOYSA-N 467.397 2.116 30 10 JEEE Cc1cc(C(=O)N[C@]23CO[C@H](C2)[C@H](NC(=O)OC(C)(C)C)C3)oc1B1OC(C)(C)C(C)(C)O1 2359267966 MSECLFBOPOIEBS-SWHMAYCHSA-N 462.352 2.442 30 10 JEEE Cc1nn(C)c(C(=O)N[C@H]2C[C@@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)c1B1OC(C)(C)C(C)(C)O1 2359277309 CWCBGRZBLPRIRW-OWCLPIDISA-N 460.384 2.155 30 10 JEEE C[C@@H](NC(=O)[C@@H]1C[C@@H](O)CN(C(=O)OC(C)(C)C)C1)c1nscc1B1OC(C)(C)C(C)(C)O1 2359383598 VOYHVUJOEWEEMO-RBSFLKMASA-N 481.424 2.237 30 10 JEEE C=CCN1C(=O)[C@@H](C)Oc2ccc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)cc21 12234194 LATSFGBGEVHALP-MRXNPFEDSA-N 471.535 2.260 30 10 JEEE COc1ccc(/C=N/Nc2nnc(SCC(=O)c3ccc(OC)c(OC)c3)n2N)cc1O 21316649 BSVCLCDSPSXTLG-LSHDLFTRSA-N 458.500 2.144 30 10 JEEE CC(=O)c1ccc(S(=O)(=O)Nc2ccc(N3CCN(CCC#N)CC3)c(C(=O)O)c2)cc1 32961694 SURBIIHCFPUPIH-UHFFFAOYSA-N 456.524 2.424 30 10 JEEE Cc1ccc(S(=O)(=O)N/N=C2\CCCc3oc(C(=O)NCCCN4CCOCC4)c(C)c32)cc1 40815129 GJAPQMBSSJBXJZ-LHLOQNFPSA-N 488.610 2.367 30 10 JEEE Cc1c(C(=O)NCCCN2CCOCC2)oc2c1/C(=N/NS(=O)(=O)c1ccc(F)cc1)CCC2 40825991 DWXVFIYIGWYMQE-LGUFXXKBSA-N 492.573 2.198 30 10 JEEE C=CCn1c(SCC(=O)Nc2nnc(SCC(N)=O)s2)nnc1-c1ccc(F)cc1 59803617 CGNAIFMRSYPECC-UHFFFAOYSA-N 465.561 2.430 30 10 JEEE N#C[C@@H]1C(=O)N=C2NC(NCc3ccc4c(c3)OCCCO4)=NC(O)=C2[C@@H]1c1ccc(O)cc1 72461242 NVYXZQQSDHSXJI-QFBILLFUSA-N 459.462 2.234 30 10 JEEE Brc1ccc(/C=C\C=NNc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1 252609046 HPZVQWGHTRJEQM-QDMWJXJSSA-N 474.363 2.418 30 10 JEEE CCOc1cc(C=NNc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(C)cc2)ccc1O 254819913 NXNHYZIRLVAFHG-UHFFFAOYSA-N 462.510 2.341 30 10 JEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC(C)C)c2)c(=O)n1-c1ccccc1C#N 521498278 HCLKAYMHBUEGIJ-UHFFFAOYSA-N 470.554 2.363 30 10 JEEE COc1ccc(CCNC(=O)CSc2n[nH]c(NN=Cc3cc(OC)ccc3O)n2)cc1 1084121959 CFWHDCUUTVEVID-UHFFFAOYSA-N 456.528 2.425 30 10 JEEE COc1ccccc1NC(=O)CSc1nnc(NN=Cc2ccc(OC)c(OC)c2)n1N 1084545221 YGBHREJWIFROLC-UHFFFAOYSA-N 457.516 2.195 30 10 JEEE COc1ccc(NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)cc1N1CCCCC1=O 1136239500 BRUUXPNMSLGPOZ-OAHLLOKOSA-N 456.524 2.389 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2nc3c(s2)CC[C@@H](C(=O)OC)C3)s1 1142601311 CPDAKVVCNUCJHF-LLVKDONJSA-N 455.583 2.128 30 10 JEEE C#CCN(CC(=O)N1CCNC(=O)[C@@H]1c1ccc(Br)cc1)C(=O)OC(C)(C)C 1155366119 YDGNBSYRROHRQF-KRWDZBQOSA-N 450.333 2.319 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2Cc2nccn2C(F)F)c1 1286310673 XMKGVPJSCMIMSW-UHFFFAOYSA-N 465.468 2.375 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 1286385234 LQSNWOLCXHISHX-BZSNNMDCSA-N 462.547 2.363 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1CC1(SC)CCN(C)CC1)[C@H]1CCS(=O)(=O)C1 1286385938 RMFLLPIXRHLMAI-MSOLQXFVSA-N 453.678 2.246 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1nc(C(F)(F)F)cs1)[C@H]1CCS(=O)(=O)C1 1286387902 WJASHPWGGOPZIO-AWEZNQCLSA-N 482.513 2.490 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@@H]1CC(=O)N(CCOC)C1 1286402025 WVOVBVQWVZHNNU-HXUWFJFHSA-N 456.550 2.369 30 10 JEEE C#CCN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccccc1S(=O)(=O)N(C)C 1286437088 HIDUUQDGOOCHAJ-HSZRJFAPSA-N 475.615 2.077 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2Cc2nncn2CC)CC1 1286492373 JHVBGMPDMHCFCI-UHFFFAOYSA-N 476.585 2.099 30 10 JEEE C#CCSCCn1c(CCc2ccccc2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1286509342 ZEWBBGDGKGPNRY-UHFFFAOYSA-N 475.622 2.250 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC([C@@H](O)c2ccc(F)cc2)CC1 1286592454 GGAABTJXGQITGE-SFTDATJTSA-N 493.605 2.276 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@](C)(O)c1ccccc1)C1CC1 1286737423 LYBFCKRLYGLFPD-REWPJTCUSA-N 475.615 2.064 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc(Cc2cccnc2)n1C[C@]1(O)CCS(=O)(=O)C1 1286745733 GXPODTIAWDYNKO-HSZRJFAPSA-N 453.568 2.006 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1286799312 TVSMEUSWPZSHGM-YQVWRLOYSA-N 496.655 2.051 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC2(C(N)=O)CCOCC2)C1 1286806511 VTHMUZSSUSYTPX-GOSISDBHSA-N 471.558 2.026 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@H](S(C)(=O)=O)C1 1286816194 CQNNEXWZJHBDJH-MOPGFXCFSA-N 496.655 2.259 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN([C@H](C)c2cccc(OC)c2)CC1 1286820032 CEEGGABWPVOYLX-TZIWHRDSSA-N 489.642 2.275 30 10 JEEE CC(C)C(=O)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCOC[C@@H]2C)CC1 1287109077 HEVLFQNSANDPMO-FQEVSTJZSA-N 465.602 2.232 30 10 JEEE CC(C)CN1CCC[C@H](Cn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@H](C#N)C2)C1 1287739833 BHSZAOKFKKXJGJ-RBUKOAKNSA-N 471.631 2.366 30 10 JEEE Cc1ccc(Cn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N2CCO[C@H](C#N)C2)c(=O)n1C 1289679146 HXVINLDXPHWBEO-HXUWFJFHSA-N 497.600 2.177 30 10 JEEE CCN(CC)[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1295569847 HWIVHTPVVXMMKK-UYAOXDASSA-N 466.590 2.015 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Br)n2CCc2n[nH]c(C)n2)CC1 1300718879 HMLXQCBPOYKYCC-UHFFFAOYSA-N 497.401 2.343 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](C)CN1CCOCC1 1301340264 XUIMDFIATFQRII-DENIHFKCSA-N 463.586 2.262 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1301518812 KMMYBEWOKCSNKL-SFHVURJKSA-N 484.601 2.299 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2CCCC2)CC1 1301576096 RYEYPWSQOYXPKK-UHFFFAOYSA-N 454.600 2.482 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1301577749 TVKJTTTYULPENR-CRAIPNDOSA-N 454.980 2.439 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 1301587288 TUABAMKPNXIFFT-SFHVURJKSA-N 463.648 2.306 30 10 JEEE CC(C)NC(=O)c1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1C[C@H]1CCCS(=O)(=O)C1 1303342955 BHTVBKCUDYFVEW-LJQANCHMSA-N 470.599 2.282 30 10 JEEE Cc1nnc(CCn2c(C(=O)NC(C)C)nnc2N2CCCN(c3ccccc3C#N)CC2)s1 1304777958 BENSPVNDTWSKDM-UHFFFAOYSA-N 479.614 2.407 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CCc1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 1358957519 VPESFMJOCUNRLQ-CVDCTZTESA-N 493.029 2.453 30 10 JEEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1ccc(OC)nc1 1359001916 HQBGHIYAUYNSMK-UHFFFAOYSA-N 453.572 2.458 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 1359030507 XLMKGZIZCXAFLI-VQTJNVASSA-N 476.622 2.157 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCCOC2CCOCC2)CC1 1359044650 LDQXGZFTABNMMP-NRFANRHFSA-N 459.591 2.071 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOCC)[C@H](CC)C1 1359100030 WBJIMVOEFFYTRH-MBDNFAEBSA-N 495.690 2.099 30 10 JEEE C=CCC(C)(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(CC(=O)N(C)C)CC1 1359187850 ZJANQWSNQFHOLD-UHFFFAOYSA-N 478.601 2.406 30 10 JEEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](Cc2ccccc2)C1 1359203412 OUGQDXWYFWNHQX-FGZHOGPDSA-N 489.642 2.415 30 10 JEEE C=CCCCn1c(N2CCC[C@@H](n3ccc(C(=O)NC)n3)C2)nnc1[C@@]1(OCC)CCOC1 1359220949 NMSNKVGUDCPCOG-WZONZLPQSA-N 457.579 2.294 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCCN(c2nccs2)CC1 1359293891 CLINPBVPIDULGG-UHFFFAOYSA-N 483.598 2.438 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@H](C(C)C)C1 1359294054 IYMSSFGOAIYOML-IBGZPJMESA-N 474.631 2.370 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1359295501 DHZVRZUYGIWOPU-UHFFFAOYSA-N 459.982 2.379 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCO[C@@](C)(CC)C1 1359299004 RJGPEUWZEKRLCB-VWLOTQADSA-N 479.585 2.373 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 1359302654 PBDOXMFWJUFJHK-QGZVFWFLSA-N 494.987 2.470 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)Cc1cnccn1 1359326861 LLUMHZPDLFNCJL-UHFFFAOYSA-N 469.571 2.174 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](CC)c2ccccc2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1359327948 OXTOWSJJRABPMB-WMZHIEFXSA-N 473.599 2.452 30 10 JEEE CC(C)(C)C(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC2CC2)C1 1359488402 ALVUILQYODFFQY-FQEVSTJZSA-N 463.586 2.474 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2ccc(F)cc2)CC1 1360475757 DJNSIZBNUQZZTB-QFBILLFUSA-N 476.578 2.220 30 10 JEEE C=CCN1CC[C@@H](N(C)C(=O)CSc2nnc(-c3ccncc3)n2Cc2ccco2)C1=O 1436053749 NFVOPPJFQSXGKH-GOSISDBHSA-N 452.540 2.319 30 10 JEEE CCCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1500410364 DRYDVCWRSCHXSO-UHFFFAOYSA-N 473.647 2.409 30 10 JEEE CN(Cc1ccccn1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1503490237 GNOAISHXJXHLLG-HXUWFJFHSA-N 451.556 2.272 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC(C)(C)c1ccccc1F)[C@H]1CCS(=O)(=O)C1 1507630745 GTMOJCYYHJQVQO-SFHVURJKSA-N 470.574 2.422 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)Sc1ccccc1 1507671699 ONJGSCLJQYAMHW-PZJWPPBQSA-N 487.651 2.255 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCN(CC)C(C)C)CC1 1507717165 ZLHKSUBCMOHZKY-UHFFFAOYSA-N 472.037 2.347 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C)s2)n1 1507717251 SRRDDHXCLIAUKG-LJQANCHMSA-N 453.572 2.130 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(F)cc3Br)n2CCS(=O)(=O)CC=C)CC1 1507721669 RYQKRGWIEBOWTI-UHFFFAOYSA-N 496.406 2.203 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@@H](C)CN2CCCCC2)CC1 1507740192 PSSZGSKPKAIOBL-NRFANRHFSA-N 463.630 2.352 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCc2ccc(OC)cc2OC)CC1 1507741415 SAJHHMDOFRPWJQ-OAQYLSRUSA-N 467.570 2.355 30 10 JEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1507745857 GIVHUWJINNDPMW-QGZVFWFLSA-N 488.639 2.174 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1507804644 LHYNPHNMTCGHPT-KJWPAHLWSA-N 481.645 2.282 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2cccc(Cl)c2)C1 1507830629 NJYKBOALEBIOKG-MOPGFXCFSA-N 482.006 2.418 30 10 JEEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCOC2(CCOCC2)C1 1507838795 IJNVATKOUJZGQA-UHFFFAOYSA-N 476.599 2.327 30 10 JEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2c(Cl)c(C(F)(F)F)nn2C)CC1 1507880353 HXMJTZWCSUQECN-LLVKDONJSA-N 481.932 2.499 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(C)CN(C)C1=O 1508018627 HETXGDUNMGALOX-SBUREZEXSA-N 460.579 2.243 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2ccc(N(C)C)cc2)C1 1508123354 HRLOZWWUIACZEU-TZIWHRDSSA-N 459.616 2.270 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 1508142779 BISPFJYOPLWCAK-MSOLQXFVSA-N 451.618 2.382 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CC[C@@](O)(c2ccc(C)cc2)C1 1508144625 QXUJBCRMRDILAW-DEOSSOPVSA-N 467.595 2.271 30 10 JEEE CC(C)COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCO[C@H]2C)CC1 1509446814 HJOPRNDVUWHOMK-MHECFPHRSA-N 468.558 2.271 30 10 JEEE N#Cc1ccc(C2=CCN(c3nnc(C(=O)N4CCCC4)n3CC(=O)NCC(F)(F)F)CC2)cc1 1521082087 AURWTYNRMKBDIK-UHFFFAOYSA-N 487.486 2.358 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)Nc3ccccn3)n2C[C@](C)(O)C2CC2)c1 1539038799 UPAOTKXHQDELAO-VWLOTQADSA-N 473.537 2.143 30 10 JEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1539053274 OOCZCQMPZLYTHC-CABCVRRESA-N 451.515 2.240 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1cccnc1OCCC)[C@@H]1CCS(=O)(=O)C1 1539222862 XOMDUHXPBZGZTQ-WOJBJXKFSA-N 473.599 2.379 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc(Br)cc1 1539296921 VXQPLPYUHAOTSO-MRXNPFEDSA-N 478.416 2.356 30 10 JEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](Nc2ccccc2)C1 1539497011 JHDZFWPZEHCAPU-IEBWSBKVSA-N 462.645 2.336 30 10 JEEE C=C(Br)Cn1c(N2CC(=O)N[C@@H]3CCCC[C@@H]32)nnc1[C@@]1(OC(C)C)CCOC1 1539608803 CYTTUXOGEPGXQG-GQIGUUNPSA-N 468.396 2.475 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(F)F)CC1 1539644739 ILOGKTIUQJDHOD-ZULIPRJHSA-N 455.550 2.370 30 10 JEEE C=C(Cl)Cn1c(N2CC[C@H](N3CCN(C(C)C)CC3)C2)nnc1[C@]1(OCC)CCOC1 1539821401 ZVVNTHUILWNYHZ-UGKGYDQZSA-N 453.031 2.287 30 10 JEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1cccc(F)c1)N(C)C)C1CC1 1540109582 RRJXXPQAYHHYEK-LEWJYISDSA-N 492.621 2.208 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C)C(=O)[C@@H]1C 1540897685 PMNMHOGTQOCGAM-OALUTQOASA-N 475.615 2.303 30 10 JEEE CCCC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCOC[C@H]2C)C1 1546807990 BEQMKPPVNYUYFZ-KNQAVFIVSA-N 465.602 2.423 30 10 JEEE CCNC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2sccc2C)CC1 1547767939 GDFTUJCVAVEJKM-UHFFFAOYSA-N 479.610 2.405 30 10 JEEE CCNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(C)nc2)CC1 1547776073 BZCPJXOXZUQWJG-UHFFFAOYSA-N 460.542 2.332 30 10 JEEE COCC(=O)N1CCC2(CC1)CN(c1ccc(C#N)c(C(F)(F)F)c1)C[C@H]2C(=O)N(C)C 1548379625 WHGQOXNUKWQEQQ-SFHVURJKSA-N 452.477 2.357 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCN1CCOCC1(C)C 1587630931 ADVIXBKCZXCPTN-IBGZPJMESA-N 452.607 2.021 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1CCOC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1588040985 TVRFMCOQBNFDEH-SFHVURJKSA-N 476.599 2.404 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H]1CCCN1c1cnn(C)c1 1588113072 FSJTTZWEZLMBHW-HXUWFJFHSA-N 459.554 2.438 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCN2CCSCC2)CC1 1588871989 UKZPEOBVRDGGJL-UHFFFAOYSA-N 461.035 2.315 30 10 JEEE C#CCSCCn1c(-c2cccc(Cl)c2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1588993233 HVUYPBGDPQBNGA-UHFFFAOYSA-N 458.975 2.486 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@H]1CC(=O)N(CCOC)C1 1589171525 IPJMOLWBNSWERH-WXTAPIANSA-N 497.596 2.458 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(O)(c2ccccc2)CC1 1589494641 NKCWZQTZERHFEG-ZJOUEHCJSA-N 489.642 2.358 30 10 JEEE C=C(C)Cn1c(N2CCC(NS(=O)(=O)CCC)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1593684544 XIBNBLCDODWGRK-OAQYLSRUSA-N 455.625 2.193 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCCN(C(=O)CCc2ccccc2)CC1 1595522603 GWAKXLSDYQGHIQ-UHFFFAOYSA-N 475.597 2.257 30 10 JEEE C=CCNC(=O)Cn1c(N2CC[C@](O)(Cc3cccc(Cl)c3)C2)nnc1[C@@]1(OCC)CCOC1 1595603127 YLJCTJBAYDZGSE-BJKOFHAPSA-N 490.004 2.070 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC[S@](=O)CC)C1 1595730721 YFACYCFXDQRPLD-SJOQKPIVSA-N 483.635 2.136 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1cccc(NC(=O)C2CCC2)c1 1611686284 DESHPIPEZKWAQC-OYHNWAKOSA-N 489.577 2.117 30 10 JEEE C=CCOC[C@H](NC(=O)c1cc(S(=O)(=O)Nc2ccccc2F)ccc1C)C(=O)OC 1639555482 LWIQVYGQUUIOOC-IBGZPJMESA-N 450.488 2.409 30 10 JEEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N2C[C@@H](CO)[C@@H](O)C2)c1 1642401930 QNEUATIAPZSPTM-JXFKEZNVSA-N 450.944 2.147 30 10 JEEE C#C[C@@H](NC(=O)N1CCCC[C@@H]1CNC(=O)CCNC(=O)OC(C)(C)C)C1CCOCC1 1684188839 YDLVTRYFFJQFRC-RTBURBONSA-N 450.580 2.010 30 10 JEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)Cc1ncnn1CC(F)F 1689916788 WWPVKLCWAPMYRF-UHFFFAOYSA-N 463.514 2.255 30 10 JEEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2nccc(OC)n2)CC1 1689938675 SGJFYAGLFYJAOV-UHFFFAOYSA-N 458.526 2.267 30 10 JEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CC1(N(C)C)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1689982116 IFRWHDXTBQJXPM-HXUWFJFHSA-N 492.045 2.336 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1CC[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1689982299 KLAYPPUGECKMOI-RDJZCZTQSA-N 496.431 2.099 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(c2ccccc2)CCOCC1 1690032872 LEHNDGQATURWAQ-HXUWFJFHSA-N 469.611 2.100 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccnc(OC2CCOCC2)c1 1690035002 YTCRAOVLIWPQNS-AREMUKBSSA-N 479.581 2.394 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnccn3)n2C[C@H]2CCCSC2)n1 1690109212 KOOPGQDUPLUGGG-GOSISDBHSA-N 452.588 2.361 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(OC)c(O)c1 1690312788 CQBDRMPQSJYYHU-KRWDZBQOSA-N 450.561 2.124 30 10 JEEE C=CC[C@@H](Cn1c(CC)nnc1N1CCN(C(=O)CN2CCOCC2)CC1)c1ccccc1 1690444441 HEYPXZGURISZQY-QFIPXVFZSA-N 452.603 2.181 30 10 JEEE C=CCN(CCc1ccco1)c1nnc(Cc2ccccn2)n1CC1(O)CCS(=O)(=O)CC1 1690609359 LUCYZRVODAKLPJ-UHFFFAOYSA-N 471.583 2.032 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC(N(CC)C(=O)OC(C)(C)C)CC1 1690670904 LUFWHIPTNAHOBT-KRWDZBQOSA-N 462.595 2.310 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@H](COC(C)C)C2)cc1 1690680521 UKLXVEMUSJQJCT-SFTDATJTSA-N 455.559 2.473 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Br)n2CCNS(C)(=O)=O)C1 1690691534 GCXNIHNHZMZRTR-CQSZACIVSA-N 470.393 2.038 30 10 JEEE N#C[C@@H]1CN(c2nnc(-c3cccc(Br)c3)n2C[C@@H]2CCCN2CCCO)CCO1 1698490585 DPXDADHUXGPTPS-RBUKOAKNSA-N 475.391 2.283 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCN1C[C@H](C)O[C@@H](C)C1 1705490106 CFSQKSWGWJILAU-FHWLQOOXSA-N 463.586 2.149 30 10 JEEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 1705538338 KQMRZVNELBDIDR-UHFFFAOYSA-N 454.962 2.316 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1cc(COC(C)(C)C)on1)[C@@H]1CCS(=O)(=O)C1 1705565501 VFXJBKWJLLJHKA-LJQANCHMSA-N 484.582 2.318 30 10 JEEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(C(C)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 1705566274 MTPXRJXRONHZFR-QZTJIDSGSA-N 477.537 2.016 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCc1ccc(F)cc1C)[C@@H]1CCS(=O)(=O)C1 1705567798 ZVZSLQKZMKNOKW-TZIWHRDSSA-N 460.575 2.489 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CCc1ccc(N(C)C)cc1)[C@H]1CCS(=O)(=O)C1 1705570858 UNXHBUJLBKOLLR-QHCPKHFHSA-N 478.622 2.199 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2nc(C(C)C)cs2)CC1 1705643609 MFKLTIMDDPWBAO-UHFFFAOYSA-N 469.615 2.108 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1705696759 QEOJAAPMTPYXPT-REWPJTCUSA-N 468.602 2.145 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C(=O)COC)CC1 1705698678 XFDMJXLKHTWNTP-HNAYVOBHSA-N 493.406 2.312 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNC(=O)C(C)C 1705865249 USVLNXCDEBBCNG-GOSISDBHSA-N 463.579 2.284 30 10 JEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2ccc(F)cc2Cl)C1 1705891007 UVFNUZWSRJSRND-QZTJIDSGSA-N 485.969 2.167 30 10 JEEE C=CCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC[C@@H](CNC(C)=O)C2)cc1 1705911299 DRNLTMHYXYXSSS-PZJWPPBQSA-N 452.559 2.195 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(CC)cc3)n2CCN2CCN(C(C)=O)CC2)C1 1705920157 RLZBMKMBGACDKM-HSZRJFAPSA-N 452.603 2.453 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccccc3F)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1705928052 AHTWGIIRENPHMG-QZTJIDSGSA-N 479.578 2.059 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCO[C@@H](c3ccc(F)cc3)C2)nnc1[C@]1(OCC)CCOC1 1705939062 RARAEEKXCJILLT-OFNKIYASSA-N 494.589 2.248 30 10 JEEE CC(C)(C)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CC1(C(N)=O)CCOCC1 1706115262 DVNLQRMKFIQDJE-UHFFFAOYSA-N 469.565 2.195 30 10 JEEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)N(C)C2CCCCC2)CC1 1722307353 VVZAOHRRFYNEOB-UHFFFAOYSA-N 483.661 2.231 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CCc1c(F)cccc1F)[C@H]1CCS(=O)(=O)C1 1722364593 LYKDWZSDROWUIL-SBUREZEXSA-N 494.564 2.078 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cc2ccccc2o1 1722413232 KFJDGZRXOHTVLA-HXUWFJFHSA-N 457.556 2.059 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1 1722460794 ZGGLGUZMKYJRPY-DLBZAZTESA-N 478.644 2.437 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1722519705 PNHSSXCYYFVZLN-NQIIRXRSSA-N 459.616 2.472 30 10 JEEE C=CC1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1722575242 BPBHOXASLRRBBX-UHFFFAOYSA-N 476.599 2.304 30 10 JEEE C=CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(C)=O)CC1)c1ccccc1 1722595048 SPWKNRJRRUEILV-YLJYHZDGSA-N 474.631 2.353 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccn(CC)c1=O 1722656817 JQDYMMISDKTBBY-JOCHJYFZSA-N 492.605 2.474 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 1722703141 WAGYRTVRJQTIHD-PXNSSMCTSA-N 492.621 2.140 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC(OC[C@@H]2CCCCO2)CC1 1722725327 JHRDPPYOYGXOCW-NRFANRHFSA-N 475.615 2.495 30 10 JEEE C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H](C)CN1CCOCC1 1723876262 DXXMSONXGUWUIQ-CEXWTWQISA-N 474.631 2.043 30 10 JEEE CNC(=O)[C@@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1CCN(C)C(=O)OC(C)(C)C 1729636839 GTDHUFFTWWMKIG-KRWDZBQOSA-N 485.589 2.414 30 10 JEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(S(C)(=O)=O)cc1 1740610481 CCRCWQVYNFNVIG-IBGZPJMESA-N 489.598 2.108 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCCO1 1740937637 KZCUFGAPDWKMCD-VQTJNVASSA-N 479.603 2.008 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(Cc2csc(C)n2)CC1 1740954350 JMPSDYPTTQCFDO-UHFFFAOYSA-N 462.583 2.206 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC2(CCN(C)C2=O)CC1 1740961287 SEMBBJOMBRVTCW-UHFFFAOYSA-N 456.978 2.273 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCC(c2cnn(C)c2)CC1 1740964412 OQQDTSHQAGZGIP-UHFFFAOYSA-N 465.558 2.285 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CCS(=O)(=O)NC)C1 1740974896 KEAASHKUZNFURS-INIZCTEOSA-N 484.420 2.347 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H](C)[C@H](C)C1 1740987991 QJKKNSPJAVSEAK-ZWKOTPCHSA-N 495.671 2.279 30 10 JEEE CC(C)C(=O)NCCn1c(Cc2ccccn2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1741296393 IFQSSQHIDPLILQ-JOCHJYFZSA-N 459.554 2.486 30 10 JEEE C[C@H]1COCCN1CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@](F)(C#N)C1 1743361537 CQKPPVJLSGHYIU-SCLBCKFNSA-N 452.332 2.198 30 10 JEEE COc1cc(Cn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@H](C#N)C2)ccc1C 1748543619 DMWBVEVINZHXHU-QGZVFWFLSA-N 452.540 2.364 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1Cc1nnc(CC)s1)[C@@H]1CCS(=O)(=O)C1 1748810678 ZLGPFIFGPXQZGI-MRXNPFEDSA-N 472.596 2.043 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCCN2C[C@H](C)O[C@H](C)C2)CC1 1748984835 SPXCYUKZYVFJHB-OYRHEFFESA-N 482.629 2.217 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCO[C@@H]2CCCC[C@H]2C)CC1 1749001134 JNZSZJLORYIVHH-TZIWHRDSSA-N 493.612 2.487 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H](C)Oc2cccc(F)c2)CC1 1749010748 WKQXKFLIGULINC-PKOBYXMFSA-N 455.534 2.354 30 10 JEEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 1749039012 NWYKHFPWOMPBRC-BDTNDASRSA-N 488.702 2.355 30 10 JEEE C=C(Br)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1749090543 PTPXCJDNIFTWKU-INIZCTEOSA-N 465.308 2.103 30 10 JEEE C=C(Cl)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1749257908 FXHOGOKXXCRXOY-UHFFFAOYSA-N 455.968 2.187 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1749650633 CZYHGFKDMQJNOL-SFHVURJKSA-N 490.543 2.453 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1749727558 XLGAGNIUIUHLHV-FQEVSTJZSA-N 484.626 2.406 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]1c1cccs1 1749734937 ODRMOLQHXNXTIC-CVEARBPZSA-N 470.642 2.184 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1Cc2ccccc2O[C@H](C)C1 1749741090 OWVYUPRGOQOXJM-LMNJBCLMSA-N 476.599 2.390 30 10 JEEE CC(=O)N1CCN(CCn2c(-c3ccc(Cl)nc3)nnc2N2CCC[C@](C)(C#N)C2)CC1 1749885907 XYGQCKBWOYFAAP-JOCHJYFZSA-N 456.982 2.288 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1CCNS(=O)(=O)CC 1760103987 PPEGQVZFPCTXOU-AWEZNQCLSA-N 454.394 2.413 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1SCCc2ccccc21 1760118103 YBJRWAPEELVNMR-DBVUQKKJSA-N 475.640 2.100 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@]1(O)CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1760180919 MZVPYIILSJIXQV-YIGJPRQDSA-N 488.610 2.140 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCc1nc2c(s1)CCCC2 1760209720 HKISUQNJMGVTPG-KRWDZBQOSA-N 474.656 2.319 30 10 JEEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@H]2CN(CC(C)C)CCO2)CC1 1760262918 GTQCXBLCGBNODO-RUZDIDTESA-N 480.657 2.184 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC2(O)CCCCC2)CC1 1760263961 WHGCZRVQVMHULJ-BGYRXZFFSA-N 472.634 2.499 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CCN2CC=CCC2)CC1 1760269907 GMENVGLXANRMON-UHFFFAOYSA-N 450.562 2.236 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2Cc2cccc(Cl)c2)CC1 1760271325 UPYPGFQTKOJTBS-UHFFFAOYSA-N 454.962 2.068 30 10 JEEE C#CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1760275791 ITLIMUWJXZWKQP-LJQANCHMSA-N 475.640 2.324 30 10 JEEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1760355739 URZFLNFIOMUSRX-UHFFFAOYSA-N 455.485 2.166 30 10 JEEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1760445638 QVHJGOBLXVBVBP-UHFFFAOYSA-N 453.469 2.381 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(CCOC)[C@H](C)C1 1760518310 PTLYTADGEDKWHV-OAHLLOKOSA-N 450.946 2.197 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCS[C@@H](C(C)C)C1 1760520955 FQIBMXORBCNEBX-GOSISDBHSA-N 467.599 2.072 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccnc(OC(F)F)c2)C1 1760542380 GQWNPHOGPITXQO-HOTGVXAUSA-N 469.514 2.006 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1760552099 BRBBUBSBTISDHC-UHFFFAOYSA-N 481.557 2.278 30 10 JEEE C=CCSCCn1c(N2CCN(C(=O)N3CCCC3)CC2)nnc1[C@@]1(OCC)CCOC1 1760568711 QBIWLXNKFJUVAG-JOCHJYFZSA-N 464.636 2.187 30 10 JEEE Cc1cc(N2CCN(c3nnc(-c4ccc(C#N)cc4)n3CCS(C)(=O)=O)CC2)nc(C(C)C)n1 1761700565 BRHXDLTTWMAAFK-UHFFFAOYSA-N 494.625 2.410 30 10 JEEE CN(C)C(=O)C1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2ccc(C#N)cc2)CCCC1 1766845559 CXSYICVZPIOKBI-HXUWFJFHSA-N 484.626 2.337 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@H](OC)C1 1772567173 MIPRJYVLPRMEKX-QZTJIDSGSA-N 462.595 2.310 30 10 JEEE CN(c1ccc(NC(=O)CN2C(=O)c3ccccc3C2=O)cn1)S(=O)(=O)c1ccccc1C#N 1858260316 SZUCJMPEUNUGMF-UHFFFAOYSA-N 475.486 2.013 30 10 JEEE C=CCNC(=O)[C@H]1C[C@H](O)CN1C(=O)c1ccc2nc(-c3cc(OC)ccc3OC)[nH]c2c1 1861421230 ZXIQCAMQUXDDGC-MGPUTAFESA-N 450.495 2.125 30 10 JEEE C=CCOc1ccccc1[C@@H]1C(C(=O)NCCCNC=O)=C(N)Oc2c1c(C)nn2CCC 1864319132 NNHXLUQDOURXJQ-FQEVSTJZSA-N 453.543 2.113 30 10 JEEE CC(C)OC(=O)c1ccc(NC(=O)Cn2cnc3c(nnn3Cc3ccc(C#N)cc3)c2=O)cc1 1870102080 ZJAROJQREBFNHY-UHFFFAOYSA-N 471.477 2.112 30 10 JEEE CC(C)N1C(=O)CS[C@H](C(=O)N2CCN(c3ncccn3)CC2)[C@H]1c1ccc(C#N)cc1 1889496776 ZWBZNUVWSDLMQE-RTWAWAEBSA-N 450.568 2.091 30 10 JEEE Cc1cncnc1N1CCN(C(=O)[C@H]2SCC(=O)N(C(C)C)[C@@H]2c2ccc(C#N)cc2)CC1 1889546942 FDPIAUWENJRRMP-YADHBBJMSA-N 464.595 2.399 30 10 JEEE N#Cc1ccnc(O[C@@H]2CCN(C(=O)[C@@H]3CCCN(S(=O)(=O)c4ccc(F)cc4)C3)C2)c1 1890120321 WDPBXGYSDHGGAW-IEBWSBKVSA-N 458.515 2.173 30 10 JEEE Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CCC(=O)N1CCC[C@H](COc2cc(C#N)ccn2)C1 1891392497 WSSJAPNAPSFCOR-SFTDATJTSA-N 485.610 2.376 30 10 JEEE C#CCNC(=O)[C@H](C)[S@@](=O)CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 2019037170 HSADZLIKSYQFOS-BRDMWXSZSA-N 482.558 2.255 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CCC(N)=O)C(=O)N1CC[C@@H]2C[C@]2(B2OC(C)(C)C(C)(C)O2)C1 2141243251 GCDURCWKFKOUBU-GTQRCTGISA-N 451.373 2.230 30 10 JEEE Cc1cnc(N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2S(C)(=O)=O)c(B2OC(C)(C)C(C)(C)O2)c1 2241050685 ZLVSVCXMFODTIH-DLBZAZTESA-N 481.424 2.134 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H]1CCN(C(=O)OCc2ccccc2)C1 2247856803 OERUWGSENADHPY-LJQANCHMSA-N 453.348 2.465 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N(C)C[C@H]2COCCN2C(=O)OC(C)(C)C)C1 2255191836 HJQJVAYNLKXGAY-BNGSBABLSA-N 451.564 2.387 30 10 JEEE C[C@H](CCNC(=O)c1nn(C)c(Cl)c1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2255649553 UMYXWBJZOZLZEK-GFCCVEGCSA-N 456.780 2.406 30 10 JEEE CC1(C)OB(c2cncc(S(=O)(=O)N3CCN(C(=O)OCc4ccccc4)CC3)c2)OC1(C)C 2255744990 VQMUORWJEDTTLX-UHFFFAOYSA-N 487.387 2.024 30 10 JEEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@@H]2CCN(Cc3ccccc3)C2)OC1(C)C 2255930838 BBLREJSSOYMESL-QGZVFWFLSA-N 463.434 2.136 30 10 JEEE COCC1(CNC(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)CN(C(=O)OC(C)(C)C)C1 2267008796 IAQWVWJQRZKFLU-UHFFFAOYSA-N 450.341 2.192 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](NC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)CCO1 2267164901 YCMQHJJMOWYSST-ZIAGYGMSSA-N 467.397 2.244 30 10 JEEE CCO[C@@H]1C[C@H](NC(=O)OC(C)(C)C)[C@H]1NC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2267172086 SOYXVTMEAVPERV-RRFJBIMHSA-N 467.397 2.243 30 10 JEEE CC(C)C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2267502236 KUWMYFCGQNOXMH-HNNXBMFYSA-N 450.389 2.389 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(CNC(=O)[C@H]2C[C@H](O)CN2C(=O)OC(C)(C)C)s1 2268646675 KTCDBLHTUQIMLG-GOEBONIOSA-N 466.409 2.342 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@@]2(C(=O)Nc3ncc(B4OC(C)(C)C(C)(C)O4)s3)CO[C@H]1C2 2268719562 GSHLVIXEUGVJLC-BYVOGVQKSA-N 465.381 2.453 30 10 JEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](CNc2ncccc2B2OC(C)(C)C(C)(C)O2)[C@H]1OC 2279459528 HEGYANQACVEGPV-RCCFBDPRSA-N 463.384 2.442 30 10 JEEE Cn1nc(C(=O)N2C[C@@H]3CC[C@@]3(CNC(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2281971466 JMZCVRBINKQVKG-NPMXOYFQSA-N 460.384 2.096 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2CN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)C[C@H]21 2281987407 ZJIYCABEBHJZOI-ARFHVFGLSA-N 460.384 2.474 30 10 JEEE Cc1c(C(=O)N2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281990946 UGWHXBMFCWCQGH-HOTGVXAUSA-N 460.384 2.109 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H](C)N(C(=O)OC(C)(C)C)C[C@H]1C 2282006773 YDHJTHKOHHBLTB-CABCVRRESA-N 462.400 2.498 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(C(=O)OC(C)(C)C)CC2(CC2)C1 2282041493 XSOMPKVBJSYTEC-UHFFFAOYSA-N 460.384 2.192 30 10 JEEE Cc1cnc(C(=O)N2CC[C@H](NC(=O)C(F)(F)F)C[C@@H]2C)c(B2OC(C)(C)C(C)(C)O2)c1 2282067797 UIPOZXRISNYYND-KBPBESRZSA-N 455.286 2.361 30 10 JEEE Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@]1(CO)CCN(C(=O)OC(C)(C)C)C1 2282109630 GQDJRFOYHIVJQW-XMMPIXPASA-N 460.380 2.396 30 10 JEEE CC1(C)OB(c2ccccc2S(=O)(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)OC1(C)C 2282348984 SEHXVWYRYDDOIN-HXUWFJFHSA-N 467.400 2.384 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)C(C)(C)C1 2282486864 UXGBWZQUQHLFFM-OAHLLOKOSA-N 462.400 2.485 30 10 JEEE C[C@H]1CN(Cc2ccccc2)[C@H](C)CN1S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282490194 JAJLTRIQTLTWJK-MSOLQXFVSA-N 474.436 2.003 30 10 JEEE Cn1ncc(C(=O)N2C[C@@H](CNC(=O)OC(C)(C)C)CC2(C)C)c1B1OC(C)(C)C(C)(C)O1 2282562866 WYIDNVGCCWRODD-OAHLLOKOSA-N 462.400 2.485 30 10 JEEE CN(C[C@@H](O)CNC(=O)OC(C)(C)C)C(=O)c1c(F)cc(B2OC(C)(C)C(C)(C)O2)cc1F 2282565885 QFIQUZTXNJMNFD-AWEZNQCLSA-N 470.322 2.222 30 10 JEEE C[C@H]1[C@@H](C)N(C(=O)OC(C)(C)C)CCN1S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282832660 QRGFUYNPCNZGEX-CVEARBPZSA-N 481.424 2.399 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1COCCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1O 2282966059 BSSGZBBLGKQALZ-INIZCTEOSA-N 462.352 2.057 30 10 JEEE CC(C)(C)OC(=O)NCC(F)(F)CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(O)cc1O 2282969160 ZZSOPEVKZYMBAS-UHFFFAOYSA-N 472.294 2.287 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)c1ccco1 2283059120 GTOJWKPCYSGYNW-CQSZACIVSA-N 458.324 2.365 30 10 JEEE CN(C(=O)OC(C)(C)C)C1(C(=O)NCc2cc(B3OC(C)(C)C(C)(C)O3)ccc2F)COC1 2284054700 HPHPZVDZMZZKGP-UHFFFAOYSA-N 464.343 2.377 30 10 JEEE CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)C(=C(C)NC[C@@H](O)COCc3ccco3)C(=O)[C@@]12C 2297591215 HYEGVHBQCURZSO-WZQKQDCOSA-N 497.500 2.329 30 10 JEEE C=CCc1ccc(OCC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)c(OC)c1 9991052 MIDJKLRCXOSJRD-UHFFFAOYSA-N 466.581 2.201 30 10 JEEE CCCN1C(C(C)=O)=C(OC(=O)CN2C(=O)c3ccccc3C2=O)c2ccccc2S1(=O)=O 21149305 ITDDHBSBBRORTO-UHFFFAOYSA-N 468.487 2.198 30 10 JEEE CCOc1ccc(NC(=O)CSc2nnc(N/N=C/c3cccc(OC)c3O)n2N)cc1 21318812 MOSRFJPELOSKSC-SSDVNMTOSA-N 457.516 2.282 30 10 JEEE Cc1nn(CCO)c(C)c1/C=N/Nc1nc(SCc2nc3ccc([N+](=O)[O-])cc3[nH]2)n[nH]1 59888079 PGOPGBIVXQQOIE-UFWORHAWSA-N 456.492 2.133 30 10 JEEE COc1cccc([C@@H]2c3c(nc(NCc4ccc5c(c4)OCCO5)[nH]c3=O)NC(=O)[C@H]2C#N)c1OC 72472392 KTHDPVZNLQMLQO-KXBFYZLASA-N 489.488 2.394 30 10 JEEE N#Cc1ccccc1[C@@H]1N[C@](CC(=O)O)(C(=O)O)[C@H]2C(=O)N(Cc3cccc4ccccc34)C(=O)[C@H]21 247664321 VKESMFWZROAEQM-LAWREARLSA-N 483.480 2.455 30 10 JEEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(-n3nc(C)c(Br)c3C)cc2)CC1 512710048 LYRMRYQMVKABDG-UHFFFAOYSA-N 460.376 2.312 30 10 JEEE C#CCN(C(=O)Cc1cc(OCC)c(OCC)cc1Br)[C@H]1CCS(=O)(=O)C1 729331768 OHTNXGJYYHJUGX-HNNXBMFYSA-N 458.374 2.438 30 10 JEEE C#CCN(C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S)[C@@H]1CCS(=O)(=O)C1 729332716 VWEUWPFWFKEKTB-IZCBMXNHSA-N 468.647 2.378 30 10 JEEE O=C1c2ccccc2C(=O)N1CCN1C(=O)C(=NNS(=O)(=O)c2ccc(F)cc2)c2ccccc21 1083850819 CHQMKKYHXBAQJP-UHFFFAOYSA-N 492.488 2.151 30 10 JEEE COCCn1cc(C=NNc2nc(SCCC(=O)Nc3cccc([N+](=O)[O-])c3)n[nH]2)cn1 1084545873 HWVUUEOBCRGTLE-UHFFFAOYSA-N 459.492 2.123 30 10 JEEE C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 1228690819 FEZGVTWHPQFPKL-SJORKVTESA-N 458.378 2.199 30 10 JEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCC(C)CC2)CC1 1286318189 SOYCDSRKXGZRRB-IOJLRTSASA-N 450.653 2.393 30 10 JEEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1286355965 GVDHUICMTDDCDC-NHCUHLMSSA-N 480.661 2.180 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCc1ccnc(C(C)(C)C)n1 1286430257 GKCGTXANRIXGNB-LJQANCHMSA-N 468.627 2.363 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(OC)ccc1OC(F)F 1286445659 AFZSBYROBFFCHP-CQSZACIVSA-N 454.499 2.298 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1286463309 DCPOJFPSDZNWSW-LJQANCHMSA-N 462.476 2.166 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCC2(O)CCOCC2)CC1 1286471910 OTFCCSLXWNFSPM-LJQANCHMSA-N 457.550 2.244 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCSCc2ccccc2)CC1 1286486263 KGGXKSCAMQZTFZ-UHFFFAOYSA-N 468.627 2.316 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCn2cc(Cl)cn2)CC1 1286487424 OHZDGEJNZXVFCM-UHFFFAOYSA-N 482.932 2.369 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCCCC2(F)F)CC1 1286494918 WAXVGJJEKANZRM-GOSISDBHSA-N 462.545 2.192 30 10 JEEE C=C(C)Cn1c(COc2ccc(Br)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1286601030 ICYLEQFLDBUWFM-UHFFFAOYSA-N 470.393 2.277 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)C(C)C 1286749367 QGWHQRAJUKEPIL-NQIIRXRSSA-N 483.660 2.272 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCOC[C@@H]1C 1286749480 TUYKRHBRMDMPPV-ZWKOTPCHSA-N 465.645 2.155 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1286780247 RWLVAIZKYWKDIU-UHFFFAOYSA-N 468.993 2.347 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1286781926 DWHIFWWDCUHLEB-QVKFZJNVSA-N 476.375 2.394 30 10 JEEE C=CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(C(=O)OC)CC1 1286831190 WAKQNXHEKXIEKK-UHFFFAOYSA-N 455.544 2.402 30 10 JEEE CC(C)NC(=O)CN(C)c1nnc(COc2ccc(C#N)cc2)n1CC1(S(C)(=O)=O)CCCC1 1288226212 BQTOVZFADIXJRA-UHFFFAOYSA-N 488.614 2.047 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1CCCN(C)S(=O)(=O)CC 1300276366 LPTBWXIJBZASRF-CQSZACIVSA-N 471.425 2.176 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1CC1(SC)CC1)[C@H]1CCS(=O)(=O)C1 1300483851 OJCJQCYJXRSGJZ-KRWDZBQOSA-N 476.624 2.485 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CC[C@H](N1CCOCC1)C(F)(F)F 1300579865 YPMLKYVDFVGSKB-IBGZPJMESA-N 492.502 2.122 30 10 JEEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCN1CCOCC1(C)C 1300602932 LUQKXAGAFIYIQL-UHFFFAOYSA-N 473.647 2.117 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1CCN1CCC(C)CC1 1300642643 LUSXQLSAYDVZBN-IBGZPJMESA-N 476.622 2.399 30 10 JEEE C#CCN1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CC(C)(C)SC)CC1 1300685669 RTMVSXSCIGWMKW-UHFFFAOYSA-N 475.688 2.443 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cccnc2OCCCC)CC1 1300711076 RXKMSBVVCCQVJQ-UHFFFAOYSA-N 493.612 2.102 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1300725510 ATXNENLGWWUOIV-IBGZPJMESA-N 498.578 2.371 30 10 JEEE C=C(Br)Cn1c(-c2ccccn2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1300837052 FVCCMQVWDPRINJ-IBGZPJMESA-N 460.336 2.063 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCC(S(C)(=O)=O)CC1 1300872101 FCGNUNPAIBOIRC-LPHOPBHVSA-N 467.636 2.191 30 10 JEEE C=C(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1300963887 LZQQLLVEYIDEQA-XXBNENTESA-N 463.586 2.294 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC(C)(C)[C@@H]1C 1301151519 NIQFVUCNZMVGQV-DLBZAZTESA-N 455.625 2.217 30 10 JEEE C=CCN(CC=C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCCCS1(=O)=O 1301380755 KKICEXFWNSFHDH-KRWDZBQOSA-N 478.644 2.384 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCc2c(ccnc2N(C)C)C1 1301483709 UZHDVUDTJDLEPU-UHFFFAOYSA-N 499.417 2.372 30 10 JEEE C=CCNC(=O)c1cccc(S(=O)(=O)N(C)CCN2CCN(Cc3ccccc3)CC2)c1 1309490082 VLWFGNAIBWRQAY-UHFFFAOYSA-N 456.612 2.041 30 10 JEEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOc1ncccc1F 1314728657 BXSMZMDLUQLDBW-GOSISDBHSA-N 470.530 2.301 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@](C)(O)[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1358958974 ZIILKSPNYPHEAP-BPXKWBHBSA-N 475.571 2.277 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CC[C@@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1358966550 RJVWFGXMKKKQOM-RTWAWAEBSA-N 483.594 2.315 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCCOC1 1358994277 JBPNOPRGDKYURV-VQTJNVASSA-N 457.575 2.476 30 10 JEEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2CCn2cc(Cl)cn2)CC1 1359038002 HDMRNELUUWXDNL-UHFFFAOYSA-N 453.978 2.377 30 10 JEEE C#CCN1CCN(c2nnc(CSc3ccccc3OC)n2CC2([S@](C)=O)CC2)CC1 1359039893 ZWPVHDGUCJNRBW-HKBQPEDESA-N 459.641 2.245 30 10 JEEE C=CCN(CC=C)c1nnc(-c2cccc(C#N)c2)n1CCS(=O)(=O)N1CCSCC1 1359269057 MXHVMXJCILAESO-UHFFFAOYSA-N 458.613 2.374 30 10 JEEE C=CCn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1359285774 KKZGTURNYWNQLJ-UHFFFAOYSA-N 470.574 2.102 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1359295204 UCYRTZSDXOMBGF-LPHOPBHVSA-N 465.558 2.468 30 10 JEEE CC(=O)N1CCN(CCn2c(Cc3c(F)cccc3F)nnc2N2CCC[C@@](C)(C#N)C2)CC1 1359402084 NPUORZSLAYGQDR-DEOSSOPVSA-N 471.556 2.441 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2ccc(N(C)S(=O)(=O)CC)cc2)ccc1F 1437794325 LNQGUVDODZUOQC-UHFFFAOYSA-N 455.533 2.328 30 10 JEEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2CCN(c3cccc(Br)c3)C2=O)n1 1448857814 JNYOYSPFDURCOY-IBGZPJMESA-N 459.344 2.307 30 10 JEEE C#CCN1CCC[C@@H](NC(=O)c2cc(S(=O)(=O)N(CC)CC)ccc2Br)C1 1455704767 MJRQOSJIXNSYCE-OAHLLOKOSA-N 456.406 2.307 30 10 JEEE C#CCN(C[C@H](O)Cn1c(-c2ccccc2)noc1=O)C1CCN(C(=O)OC(C)(C)C)CC1 1473796101 CMASRVSLPRMQEW-FQEVSTJZSA-N 456.543 2.199 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1ccc(N(C)C)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1507634941 OJRLWAMDMSDJIS-HXUWFJFHSA-N 482.585 2.144 30 10 JEEE C#CCN(c1nnc(CCOc2ccccc2)n1Cc1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1507638094 DKSWPILTOWKKPP-IBGZPJMESA-N 469.567 2.179 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)Oc1ccccc1OC 1507669668 PDJKAEQWPPPPQE-OALUTQOASA-N 456.568 2.119 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1507801305 UBCAFJIXWLYWEU-BNDYYXHWSA-N 458.607 2.199 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1507805236 MEYWYRRKAZCISX-WTGUMLROSA-N 470.636 2.387 30 10 JEEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2cc(F)cc(F)c2C1 1507837353 MZYXJVZFMIRFOX-CQSZACIVSA-N 455.531 2.322 30 10 JEEE C=CCC(C)(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(=O)NC)CC1 1507910767 DPXDQJUBTJAEBL-UHFFFAOYSA-N 460.604 2.412 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCS(=O)(=O)C1 1508004183 AICFVPQEZLWGLG-IRXDYDNUSA-N 499.634 2.045 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N(CC)C[C@H]1CCCO1 1508135836 MTWHANVZBIIVIU-GOSISDBHSA-N 462.572 2.322 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(F)c(Cl)c1 1508140436 NTBRSIPURCAZSX-INIZCTEOSA-N 455.943 2.259 30 10 JEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 1508161938 OIUKRKZURWWWOG-GOSISDBHSA-N 491.687 2.339 30 10 JEEE C=CC[C@@]1(C(=O)Nc2cccn(CCS(C)(=O)=O)c2=O)CCCN1C(=O)OC(C)(C)C 1537512004 MMKARJVYKOZQOM-NRFANRHFSA-N 453.561 2.177 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CCOCC)CCCC1 1539017007 XCEDJQNNLDHPFL-RTBURBONSA-N 467.636 2.056 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CC1(COC)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1539206402 ONUWTWPXSNHDSW-YKSBVNFPSA-N 494.658 2.154 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1Cc1cccc(N(C)C)c1)[C@H]1CCS(=O)(=O)C1 1539212156 SRDMMQQQHKJSNZ-FQEVSTJZSA-N 452.584 2.025 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H](N1CCOCC1)C(F)(F)F 1539350350 ITRVTZHYSOBCGL-SFHVURJKSA-N 485.532 2.071 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](Oc2ncccc2F)C1 1539517455 NZHOHCPYRGZIFZ-SJORKVTESA-N 479.603 2.129 30 10 JEEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1539533053 JRVOZOYDYGNKMR-KZNAEPCWSA-N 474.631 2.036 30 10 JEEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(O)(c2ccccc2)CC1 1539966978 NNVQCXAUPPDEKB-OAQYLSRUSA-N 489.642 2.455 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCOC2(CCCC2)C1 1540898341 HNPZABGDRKUGMI-UHFFFAOYSA-N 494.639 2.099 30 10 JEEE CC(C)N1CCN(C2CCN(c3nnc(COc4ccc(C#N)cc4)n3CC(C)(C)O)CC2)CC1 1541630694 HHXSMOZOCDSKHY-UHFFFAOYSA-N 481.645 2.494 30 10 JEEE CCN1CCN(C[C@H](C)Cn2c(C)nnc2N2CCN(Cc3ccc(C#N)cc3)CC2)CC1 1547724195 AMFBZJGJDWHGPG-NRFANRHFSA-N 450.635 2.054 30 10 JEEE CCNC(=O)[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@H]1C1CCN(S(C)(=O)=O)CC1 1548400567 IEQBLHRJQPNFPU-ZWKOTPCHSA-N 472.533 2.437 30 10 JEEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C(=O)OCC)c2ccc(OC)c(F)c2)c1 1556246391 YFTPFZDPHQHAFW-IBGZPJMESA-N 450.488 2.333 30 10 JEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)NC[C@@](C)(O)C(=O)OC(C)(C)C 1567401087 AKQHWLAKHGBXMS-LJQANCHMSA-N 457.321 2.307 30 10 JEEE C#Cc1ccc(CNC(=O)[C@@H]2CC(=O)N(c3ccc(S(=O)(=O)N(CC)CC)cc3)C2)cc1 1583382150 KYITZBSQSKFZIV-HXUWFJFHSA-N 453.564 2.368 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCN1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1588040228 KASIHFBTYFBLLX-PKOBYXMFSA-N 477.034 2.352 30 10 JEEE C#CCN(c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCCC)[C@@H]1CCS(=O)(=O)C1 1588049729 LAAINTJRGFBGPI-GOSISDBHSA-N 482.610 2.492 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1cccc(CN(C)C)c1)[C@@H]1CCS(=O)(=O)C1 1588064277 FJNOSUMVELJMKY-HSZRJFAPSA-N 478.622 2.001 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCC1(O)CCOCC1 1588696628 NIYLMKRLVHZLMW-IBGZPJMESA-N 477.606 2.368 30 10 JEEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)c1cc(F)ccc1F 1589070121 QUXZVAYAKMSVAJ-HNAYVOBHSA-N 499.609 2.453 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC1(COC)CCCC1 1589215603 BSJHGOSIUQCUMX-DENIHFKCSA-N 479.647 2.200 30 10 JEEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1589289713 VZHJKJYZVFHKOS-SFHVURJKSA-N 480.455 2.027 30 10 JEEE C=CC1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1594218709 PQSONGPLZQPNPC-QHCPKHFHSA-N 476.599 2.304 30 10 JEEE C=CCN(c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCNC(=O)C(C)C)C1CC1 1595027056 WXPBHWULSCMSFI-UHFFFAOYSA-N 459.620 2.474 30 10 JEEE C=CCNC(=O)Cn1c(N2CCN(C3CCCC3)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1595602037 DHKRIAZEBQTBAE-KDURUIRLSA-N 487.649 2.416 30 10 JEEE C[C@H](C#N)CN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCN1CCN(C)C(C)(C)C1 1596821830 FUQKFNOROKFSSG-HXUWFJFHSA-N 480.665 2.074 30 10 JEEE C[C@@H]1SCCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N2CCOCC2)[C@@H]1C 1613038464 FIMHWTRETMBNTQ-MSOLQXFVSA-N 470.599 2.308 30 10 JEEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)c1 1616457210 IXOONDLHZAQMEE-UHFFFAOYSA-N 450.520 2.433 30 10 JEEE CCOC1CC(CNC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)(N2CCOCC2)C1 1681962626 CTQGGOYYQZQQMZ-UHFFFAOYSA-N 455.603 2.045 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2CSCCS2)c1 1689870179 DUTPGROSOFQPSB-QZTJIDSGSA-N 470.624 2.134 30 10 JEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(NC(N)=O)cc1 1689966717 ZYYOUQSGTZVMLU-GOSISDBHSA-N 469.546 2.195 30 10 JEEE C#CCN(c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1689982722 SNBCCIOMQGIRBS-SFTDATJTSA-N 472.611 2.285 30 10 JEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1CCN1CCSCC1)[C@H]1CCS(=O)(=O)C1 1689991962 FCEVYQGCZAJZJD-FQEVSTJZSA-N 494.086 2.198 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1Cc1cccnc1OCC)[C@@H]1CCS(=O)(=O)C1 1689996700 MLKHXYSOWXLQMP-LJQANCHMSA-N 499.568 2.465 30 10 JEEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1cccnc1OC 1690025077 DDADEGDZBOQCIA-UHFFFAOYSA-N 469.593 2.168 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cc(F)ccc1N1CCOCC1 1690055995 AXNZXOYZPVJISY-RDPSFJRHSA-N 481.572 2.489 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCCn2ccnc21 1690064097 ZWCSIDCUCKUSQI-IBGZPJMESA-N 467.599 2.429 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(C)cc1O[C@@H]1CCOC1 1690092706 RUNQYTSJOQNVDV-OAQYLSRUSA-N 467.570 2.125 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CCC(C)(C)O)CC1 1690137907 LKUWCTVAAUCNJG-UHFFFAOYSA-N 461.570 2.462 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CCC(=O)NC(C)(C)C)CC1 1690148444 HSJXTUNUUXCPBU-UHFFFAOYSA-N 468.577 2.279 30 10 JEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1690180962 NXIRFDQZYVASIW-GOSISDBHSA-N 476.647 2.460 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1CCS(=O)(=O)c1ccccc1 1690195700 ONTXUWJURCURHT-PKTZIBPZSA-N 458.584 2.396 30 10 JEEE CC(C)NS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1692571860 GOHFYIBFUWJEIT-PBHICJAKSA-N 486.520 2.301 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@@H]1CCOC[C@@H]1C 1694347503 HHBUDXNEWHDHCU-HKUYNNGSSA-N 497.648 2.109 30 10 JEEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCN2CCCC2)c1 1696621160 FVHGTDNJDBWEMD-JOCHJYFZSA-N 475.594 2.123 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCOC2)c1 1705503671 BEQLORQIZOPHSZ-GOSISDBHSA-N 459.510 2.018 30 10 JEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(OC[C@H]2CCOC2)CC1 1705517520 XIUQFTRTAUOHHN-OALUTQOASA-N 450.605 2.006 30 10 JEEE C#CCN(c1nnc(COc2ccccc2OCC)n1C[C@@H]1CC=CCO1)[C@@H]1CCS(=O)(=O)C1 1705568872 WQNWKIAQSUOHLC-UXHICEINSA-N 486.594 2.228 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1Cc1c(C)nn(C)c1C)[C@@H]1CCS(=O)(=O)C1 1705569908 ICMYLTKLKZLWLY-OAQYLSRUSA-N 466.611 2.203 30 10 JEEE C#CCN(c1nnc(Cc2c[nH]c3ccccc23)n1CCCOCC)[C@@H]1CCS(=O)(=O)C1 1705570856 ULZLVAWKCKGLQG-LJQANCHMSA-N 455.584 2.404 30 10 JEEE C#CCN(CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCN1CCC[C@H]1C(=O)N(C)C 1705609631 KWRWSKRWSQZCFL-FQEVSTJZSA-N 466.586 2.119 30 10 JEEE C#CCN1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@H](C2CC2)N(C)C)CC1 1705639062 FINPMGSKADVOPC-JOCHJYFZSA-N 485.677 2.488 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CCNC(=O)Cc2cccc(F)c2)CC1 1705646411 FBEFDDYLLDZGPK-UHFFFAOYSA-N 492.555 2.310 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2Cc2cccnc2OCC(F)F)CC1 1705650680 XBBJBYQKSIMJDR-UHFFFAOYSA-N 495.534 2.317 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2cnn(CCOC)c2)CC1 1705652888 QSCYVTOULALYQH-FGZHOGPDSA-N 497.644 2.054 30 10 JEEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](OCc2cccc(OC)c2)C1 1705747684 RSVYUVRVBPBKKX-YJBOKZPZSA-N 469.995 2.445 30 10 JEEE C=CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCCS(=O)(=O)C1)C1CC1 1705850293 OJKJDQDSIYMNRZ-INIZCTEOSA-N 464.613 2.328 30 10 JEEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 1705893854 IQMIXOJFOHZDAL-UHOSZYNNSA-N 453.609 2.019 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](c2nccs2)C1 1705906833 QDMHSGDUFDTCGT-GOSISDBHSA-N 465.539 2.065 30 10 JEEE CCc1nc(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCO[C@@H](CNC(C)=O)C2)cs1 1708993090 FIMQZRCNPYWHQP-NRFANRHFSA-N 495.609 2.332 30 10 JEEE C#CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](C(=O)NC)C1 1722317728 WQFZFZQUJSGNIK-MOPGFXCFSA-N 474.606 2.352 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@@H](c1ccco1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1722361382 HSMTYVDCHPXKDV-CTNGQTDRSA-N 483.594 2.476 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccccc1C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1722366588 IWFGEJRJGZRLEW-IRXDYDNUSA-N 468.501 2.476 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](c2ccsc2)N(CC)CC)CC1 1722447891 OVYJESCSXXOSFC-SFTDATJTSA-N 497.669 2.340 30 10 JEEE C#CCSCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1722458009 VNLSVWWIKQWHRI-INIZCTEOSA-N 458.613 2.263 30 10 JEEE C#CCSCCn1c(CCc2ccc(OC)cc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1722463012 VSMYTXDXPWXAAJ-UHFFFAOYSA-N 479.610 2.025 30 10 JEEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H](CN2CCOCC2)C1 1722494988 UFDPOUADELLUPK-SQNIBIBYSA-N 470.412 2.069 30 10 JEEE C=CCCOCCn1c(COc2ccc(C)cc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1722627146 LMFWDEKGQGGLTF-UHFFFAOYSA-N 450.543 2.415 30 10 JEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1csc(C(C)(C)C)n1 1722641099 XEEBYTQPWVOYJO-MRXNPFEDSA-N 468.649 2.230 30 10 JEEE C=CCNC(=O)Cn1c(N2C[C@H](CC)O[C@H](C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1722704134 ONMWVLZGTACXBO-BDXSIMOUSA-N 462.595 2.355 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1722728791 YEULSGNBVURXQF-MSOLQXFVSA-N 464.592 2.271 30 10 JEEE CC(C)(C)OC(=O)N1CCC(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCn2cncn2)CC1 1722973780 FKOZIAGIOKINSG-OAQYLSRUSA-N 459.530 2.126 30 10 JEEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCC[C@@H](C)C2)CCN1S(C)(=O)=O 1726577609 GICQSPVOJCIPPK-MOPGFXCFSA-N 471.631 2.019 30 10 JEEE COCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1730730794 BJKGEGNKLKPQGD-CYFREDJKSA-N 454.575 2.169 30 10 JEEE N#Cc1ccc(N2CCN(c3nnc(CCc4ccccc4)n3CC(=O)NCC(F)F)CC2)nc1 1731181621 DCQWXIUNNMIBEI-UHFFFAOYSA-N 480.523 2.038 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CCCOC(F)F)c1 1740563742 WHSCUWNVMLABRE-UHFFFAOYSA-N 460.485 2.200 30 10 JEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1740566123 CBBRKNCMRSHFPK-HZPDHXFCSA-N 452.606 2.035 30 10 JEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](COc2ccccc2)C1 1740574803 NNPXIILXXVPLIC-RBBKRZOGSA-N 487.626 2.320 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1c(Cl)cccc1OC)[C@@H]1CCS(=O)(=O)C1 1740626218 KKBRQJKLOHKKBT-HZPDHXFCSA-N 464.975 2.119 30 10 JEEE C#CCSCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)CCC(=O)NC 1740715070 COTNRZHUXVCTFK-UHFFFAOYSA-N 467.599 2.175 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(S(C)(=O)=O)CC1 1740754985 HSNXPOOCSXPDEP-UTKZUKDTSA-N 491.614 2.025 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCCSC2)CC1 1740840388 XUJYYJKHHQYLJI-MSOLQXFVSA-N 455.650 2.157 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](OCC(C)C)C1 1740850423 GCEVBFBMMOPPPA-MOPGFXCFSA-N 469.652 2.465 30 10 JEEE C=CCCOCCn1c(-c2ccc3ccccc3n2)nnc1N1CCN(S(C)(=O)=O)CC1 1740882555 PCBMEPGDXGGUOL-UHFFFAOYSA-N 456.572 2.168 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1740989760 XDVPMPURGWFEMW-LJQANCHMSA-N 472.619 2.009 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(OC)cc2)nnc1N1CC[C@H]2OCCC[C@H]2C1 1740994605 URUSSJGPLMPGJZ-GHTZIAJQSA-N 476.599 2.472 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCO[C@H](c3ccccc3C)C2)nnc1[C@]1(OCC)CCOC1 1740995608 RCLIGBKUYJDXMM-URXFXBBRSA-N 490.626 2.417 30 10 JEEE CCN(C)C(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1745883305 FFOVTYOPTBTPBK-MRXNPFEDSA-N 479.976 2.454 30 10 JEEE CN(Cc1ccc(C#N)cc1)c1nnc(-c2ccccn2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1747704361 GIKWZRPAGANVGY-LJQANCHMSA-N 451.556 2.130 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CCCC3)n2CCN2CCCS2(=O)=O)c1 1748692817 PETZVMJYXXROBL-UHFFFAOYSA-N 470.599 2.027 30 10 JEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1748734754 JZYQHRCUPGTSOR-GOSISDBHSA-N 455.584 2.257 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1CCN1CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1748820486 CNODGKCLZGBNOS-RTWAWAEBSA-N 471.627 2.277 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(C)c(Br)c2)n1CCCNS(=O)(=O)CC 1748833967 ASOHOJOMAUJDQM-UHFFFAOYSA-N 478.416 2.418 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(Br)ccc1OC 1748845810 ASSADKXBYZJMPI-HNNXBMFYSA-N 477.384 2.072 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](c2c(F)cccc2F)N(C)C)CC1 1748973242 YZPYJRYJHMGMIM-HXUWFJFHSA-N 494.550 2.262 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2CCCn2cc(Br)cn2)CC1 1748989956 DYVULJBLYVRKHN-GOSISDBHSA-N 462.396 2.324 30 10 JEEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCC(N2CCCC2=O)CC1 1749043896 LPDJODVDSGIFSY-UHFFFAOYSA-N 472.640 2.227 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2ccc(F)c(F)c2)C1 1749193703 LZXLDIRXMNLHQZ-OALUTQOASA-N 483.541 2.043 30 10 JEEE C=C(C)Cn1c(CC(C)C)nnc1N1C[C@@H]2[C@H](C1)[C@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1749195052 FHTAXRJWBSOMLS-BRWVUGGUSA-N 453.609 2.179 30 10 JEEE C=CCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1749447308 BKRHDBAQIYBYBI-DEOSSOPVSA-N 463.542 2.224 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@](C)(O)CCOC)C1 1749712151 FITTTXMYFSPANQ-YDIMBITNSA-N 495.621 2.155 30 10 JEEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CC(=O)NC2CC2)CC1 1760161163 BERMONBSGORVCH-FQEVSTJZSA-N 485.633 2.164 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1760181678 ZRSQGPJVTVSPKF-AOIWGVFYSA-N 463.579 2.134 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCCSc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1760181862 COMLUQUBUFIZJW-GOSISDBHSA-N 475.640 2.225 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1CC(C)(C)COCC)[C@@H]1CCS(=O)(=O)C1 1760189042 GFEVCZHVKPLIKA-GOSISDBHSA-N 465.645 2.323 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)N2CCCC2)n1CCCCN1CCOCC1 1760240180 JHVBISDEVGVUHY-UHFFFAOYSA-N 468.577 2.405 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1760306064 ALLUNCCDCUEZFW-MRXNPFEDSA-N 478.395 2.071 30 10 JEEE C=C(Br)Cn1c(COc2ccc(OC)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1760311881 CXXUFDKYQCPKBE-WMLDXEAASA-N 462.348 2.489 30 10 JEEE C=C(Br)Cn1c(N2C[C@H](C)O[C@@H](COC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1760314491 ODGJKQABFGGNMU-FRQCXROJSA-N 459.385 2.467 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1760323869 HMVODAYXUATHAU-BWKNWUBXSA-N 482.629 2.357 30 10 JEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCC[C@@]3(CCOC3)O2)CC1 1760397690 ZRMIVTFGOQGQDI-CDXJDZJCSA-N 453.609 2.019 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1760550534 ARWXSRPBCFRRRY-GVDBMIGSSA-N 498.447 2.366 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1760552437 NQTRTZVRAZYIMH-QGZVFWFLSA-N 456.572 2.282 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCCC(C)(C)C1 1760554292 YLIURDLNOCLRBO-UHFFFAOYSA-N 470.599 2.419 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCC(=O)NC(C)(C)C 1761362281 BEEYKFUVHYZBDW-KRWDZBQOSA-N 453.595 2.495 30 10 JEEE COCC(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCn2cc(Cl)cn2)CC1 1770691191 FRXYNVGNMWZPFN-UHFFFAOYSA-N 498.975 2.010 30 10 JEEE C=CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CC(=O)N(c2ccc(C(=O)OCC)cc2)C1 1861607903 BWSNROPORIUJDO-IFMALSPDSA-N 463.534 2.246 30 10 JEEE C=CCNC(=O)[C@@H](Cc1ccc(OC(C)=O)cc1)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C 1861789151 QHMVAUQYWIMGME-LJQANCHMSA-N 470.438 2.380 30 10 JEEE COCCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1862568009 GKXOCVHMHMABQS-LJQANCHMSA-N 455.423 2.173 30 10 JEEE N#Cc1c(NC(=O)COc2cccc3c2C(=O)N(CCN2CCOCC2)C3=O)sc2c1CCCC2 1865834284 VSLYGWUUYCZHMT-UHFFFAOYSA-N 494.573 2.444 30 10 JEEE O=C(N[C@@H](CO)C(=O)Nc1cccc(C(F)(F)F)c1F)C1CCN(C(=O)C(F)(F)F)CC1 1867291742 QSGDUJUMPUGIDN-LBPRGKRZSA-N 473.345 2.061 30 10 JEEE CC[C@](C)(NC(=O)c1ccc2c(c1)C(=O)N([C@H](C)C(=O)O)C2=O)C(=O)N[C@@H](C#N)c1ccc(C)cc1 1867498691 VJMUTQIPBUWGNU-RZMRESFYSA-N 490.516 2.344 30 10 JEEE Cc1ccc([C@@H](C#N)NC(=O)[C@H](CO)NC(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1 1867534966 KQQSOUCRDWOZBX-PKTZIBPZSA-N 482.496 2.267 30 10 JEEE N#Cc1nnn(Cc2ccccc2)c1NC(=O)CCCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 1870110945 PKJMHOODENDECI-UHFFFAOYSA-N 459.422 2.121 30 10 JEEE N#Cc1nnn(Cc2ccccc2F)c1NC(=O)CCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1870111031 UHZXQUCKMMYIEF-UHFFFAOYSA-N 477.412 2.260 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cn1C[C@@H](C)O 1870696400 FBNPJSHJQDUFSP-QGZVFWFLSA-N 486.525 2.337 30 10 JEEE C=CCn1cc(OCC(=O)Nc2ccccc2C(=O)OC)c(=O)cc1CN1CCC(CO)CC1 1870741982 MCAJBANOXPVCFL-UHFFFAOYSA-N 469.538 2.043 30 10 JEEE C=CCN=c1nc(N2CCN(c3ccccc3)CC2)[nH]c(=Nc2ccc(OC)c([N+](=O)[O-])c2)[nH]1 1871706892 MWSVVBLYIUMYOO-UHFFFAOYSA-N 462.514 2.300 30 10 JEEE C=CCn1c(C(=O)N2CCN(c3ccccc3OC)CC2)cc2c(NC[C@H](C)O)ncnc21 1875229129 PZSOVOKYOOEILJ-KRWDZBQOSA-N 450.543 2.381 30 10 JEEE CN(CC1CN(C(=O)OCc2ccccc2)C1)C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2247813024 ILYKFAHFRKKHNF-UHFFFAOYSA-N 454.336 2.050 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CC[C@H]1NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2247901173 GIDRLESFKQQEOK-UONOGXRCSA-N 458.411 2.381 30 10 JEEE CN(C1CN(C(=O)OC(C)(C)C)C1)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2247951285 HRQMCTFFVXPRSR-UHFFFAOYSA-N 458.411 2.287 30 10 JEEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)[C@H]2C[C@@H]21 2255799601 KXBAZRKKBSUZTG-GJZGRUSLSA-N 470.422 2.430 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](NC(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)CCO1 2267005920 KFIAZRWREVVLDU-HZPDHXFCSA-N 450.341 2.381 30 10 JEEE CCC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nn(C)c1C 2267141422 WSFQMZAEQZZLAJ-HNNXBMFYSA-N 450.389 2.451 30 10 JEEE CC(C)(C)OC(=O)NCCO[C@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)C1 2267148072 WEFKHEWPCZUQLH-AWEZNQCLSA-N 467.397 2.198 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@]2(NS(=O)(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267377825 KVKKQWLDZVMIRE-QRQCRPRQSA-N 464.393 2.274 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@H](NS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2267469253 SCAWPXRUYCKTPD-AWEZNQCLSA-N 487.453 2.261 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](NC(=O)c2c(Cl)cccc2B2OC(C)(C)C(C)(C)O2)C1 2267479462 MCQFRNAKAUYOTI-CVEARBPZSA-N 466.771 2.349 30 10 JEEE C[C@H](CCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(O)cc1O)NC(=O)OC(C)(C)C 2267761411 UQYOFXBCFWXSFW-CYBMUJFWSA-N 450.341 2.430 30 10 JEEE CN(Cc1sccc1B1OC(C)(C)C(C)(C)O1)C(=O)[C@]1(NC(=O)OC(C)(C)C)C[C@@H](O)C1 2268704733 AKFFVHNHNWRPSO-XLOAEROZSA-N 466.409 2.424 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2F)C1 2281791035 WLWUIOKZZKLXDY-ZWKOTPCHSA-N 464.343 2.225 30 10 JEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)Nc1n[nH]c(CCNC(=O)OC(C)(C)C)n1 2281796546 WPUBEMDTFVQMTO-UHFFFAOYSA-N 461.328 2.325 30 10 JEEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)C1NC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2281829315 WUFLJUMSNFWKPJ-HUUCEWRRSA-N 462.400 2.341 30 10 JEEE C[C@H]1CN(Cc2ccccc2)C[C@@]1(C)CNC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2281949789 NPLUFFNEAJUOIQ-BXKMTCNYSA-N 453.396 2.002 30 10 JEEE Cc1nn(C)c(C(=O)N=[S@](C)(=O)C[C@H](C)NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2281985605 KXGARUAWTXPJKJ-ADAWPZLVSA-N 484.428 2.179 30 10 JEEE Cn1ncc(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 2282023332 MMAGRCCVQRJJQT-ANQUJSFKSA-N 460.384 2.141 30 10 JEEE C[C@@H]1CCN(C(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)[C@@H](CNC(=O)OC(C)(C)C)C1 2282052811 QNVHMUHPMFRXKA-HZPDHXFCSA-N 462.400 2.485 30 10 JEEE CC(C)(C)OC(=O)NC[C@@]12CN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)sn3)C[C@@H]1CCO2 2282062351 XGICLYYZGUHGIY-RCDICMHDSA-N 479.408 2.198 30 10 JEEE C[C@H]1[C@H](NC(=O)C(F)(F)F)[C@H](C)CCN1C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2282178320 FIGXZERUKCCEHK-DVOMOZLQSA-N 455.286 2.298 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](O)CN1C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2282477533 RBGFOPTXDOZBGP-HOTGVXAUSA-N 464.343 2.225 30 10 JEEE CN(C[C@@H]1CN(C(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)CCO1)C(=O)OC(C)(C)C 2282518521 GDJKCBLBQMJZPT-MRXNPFEDSA-N 461.368 2.089 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](NC(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)CCC[C@H]2C1 2282583840 PFLJPUOZQGHHGE-UAGQMJEPSA-N 460.384 2.474 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](C2(NC(=O)c3ncncc3B3OC(C)(C)C(C)(C)O3)CC2)C1 2282707173 VSKQRQZGLASLMO-HNNXBMFYSA-N 458.368 2.295 30 10 JEEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H](NC(=O)c3nccnc3B3OC(C)(C)C(C)(C)O3)[C@H]1CC2 2283055169 DVMTXRRQOKASNJ-HRCADAONSA-N 458.368 2.436 30 10 JEEE CO[C@@H]1C[C@H](C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)CN(C(=O)OC(C)(C)C)C1 2283937631 WSDUAPVLNKZXRY-LSDHHAIUSA-N 481.424 2.331 30 10 JEEE CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)C(=C(C)N[C@@H](CC(C)C)C(N)=O)C(=O)[C@@]12C 2297591620 IXYZYLKGOVORSO-RZFZLAGVSA-N 456.495 2.058 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CCN(C(=O)OCc3ccccc3)C2)n1C 2315527247 UNLSRZHPLQCKIL-GOSISDBHSA-N 468.363 2.169 30 10 JEEE CCCCCOc1c(OC)cc(C=NNC(=S)NCCN2CCOCC2)cc1[N+](=O)[O-] 2323044377 YSBJHCUCPQRARJ-UHFFFAOYSA-N 453.565 2.303 30 10 JEEE COc1cc(C=NNc2nc3c(c(O)nc(=O)n3C)n2C(C)C)cc(Br)c1O 2327749694 KYJIXCKPOVDMKR-UHFFFAOYSA-N 451.281 2.339 30 10 JEEE CC(C)(C)OC(=O)N(CCO)CC(=O)N1CCc2scc(B3OC(C)(C)C(C)(C)O3)c2C1 2336495192 SMHIWPUOELAOMS-UHFFFAOYSA-N 466.409 2.161 30 10 JEEE Cn1ncc(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2336903788 WYCJKOXCIHWRLL-OAHLLOKOSA-N 450.389 2.389 30 10 JEEE C=CC1(N[C@]2(C(=O)O)CN(C(=O)OC(C)(C)C)[C@@]3(CCOC3)C2)CN(C(=O)OC(C)(C)C)C1 2350975375 DXBYFETXNAPAGV-GOTSBHOMSA-N 467.563 2.375 30 10 JEEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)[C@@H]2F 2359268180 YKQXAQUCTBOWKH-OEAJRASXSA-N 464.347 2.317 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCCC[C@@H](CNC(=O)OC(C)(C)C)C1 2362354321 SJVGIQQSMJDNLO-INIZCTEOSA-N 462.400 2.486 30 10 JEEE O=C(/C=C1/NCCc2cc3c(cc21)OCO3)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 102596635 NUUOJQQMIBBTOO-HYARGMPZSA-N 470.547 2.125 30 10 JEEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)O[C@@H](C)C(=O)NCCc1ccc2c(c1)OCCO2 926010997 DMFFNWBOSLFBMI-INIZCTEOSA-N 453.495 2.270 30 10 JEEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)O[C@H](C)C(=O)NCCc1ccc2c(c1)OCCO2 926011000 DMFFNWBOSLFBMI-MRXNPFEDSA-N 453.495 2.270 30 10 JEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@]1(CC(=O)OC)CCCOC1 1128253799 CGQLMZWUEBMLIE-IBGZPJMESA-N 455.305 2.327 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C)n2Cc2ccc(N3CCO[C@@H](C)C3)nc2)c1 1286308191 GFKNAQCEIGFHJF-SFHVURJKSA-N 459.554 2.311 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(N(C)C)CCCC2)c1 1286311148 KHJFWXMIXINPHJ-FQEVSTJZSA-N 498.653 2.111 30 10 JEEE C#CCN(c1nnc(C(C)C)n1C[C@H](C)N1CCN(c2ccccc2)CC1)[C@@H]1CCS(=O)(=O)C1 1286386287 YAABJQYIZMYJFR-JTHBVZDNSA-N 484.670 2.239 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1CC1(CCOC)CC1)[C@@H]1CCS(=O)(=O)C1 1286392415 LZUDSPLDZLCDTN-GOSISDBHSA-N 463.629 2.077 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CCc1cc(F)cc(F)c1)[C@@H]1CCS(=O)(=O)C1 1286393923 MBKGZCZHJCQODG-OAQYLSRUSA-N 471.533 2.412 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccc(OC)cc2)CC1 1286486090 HXSOIIPSJBWXPV-UHFFFAOYSA-N 466.586 2.219 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CC(=O)NCC=C)CC1 1286487034 CIVOSUNEHXYTKU-FQEVSTJZSA-N 478.597 2.303 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1286782947 IIUKAANLXMOZIR-OAQYLSRUSA-N 473.375 2.035 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(Cl)cc2OC)C1 1286800701 PLHMGYHAMTUNPZ-WMLDXEAASA-N 469.995 2.380 30 10 JEEE CCN(C)C(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1295080043 GQXYOOKYPQSOGQ-NRFANRHFSA-N 462.558 2.068 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1c(CC)nn(C)c1OC 1300280736 AMSLZOYYDGFQKC-HNNXBMFYSA-N 456.572 2.159 30 10 JEEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CCc1ccc(C=C)cc1)[C@H]1CCS(=O)(=O)C1 1300482849 IDXYZICRHSSLBZ-WIOPSUGQSA-N 484.622 2.443 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCN1CC=CCC1)[C@H]1CCS(=O)(=O)C1 1300484461 PTODNVBPMRRBLV-CTNGQTDRSA-N 487.601 2.446 30 10 JEEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H](c1ccccc1)N1CCOCC1 1300512709 LRWZBOYOIXCPAR-OZXSUGGESA-N 463.582 2.077 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCN1Cc1ccccc1 1300556584 JIIZHVVLRDYXDM-RBBKRZOGSA-N 468.627 2.016 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(Br)c[nH]2)n1CC1(S(C)(=O)=O)CCC1 1300560928 JODTWMLEJQOOSD-UHFFFAOYSA-N 464.389 2.466 30 10 JEEE COc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1CCn1cc(Br)cn1 1300658566 FUARWAZUPJYILM-INIZCTEOSA-N 488.346 2.254 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccn2C)n1C[C@@H]1C[C@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1300663961 JRDLDYCTAPRDQK-ZJOUEHCJSA-N 484.601 2.394 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCCC(F)(F)C2)CC1 1300726798 RHBMDZXMTJNNGI-MJGOQNOKSA-N 497.612 2.362 30 10 JEEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCC(Nc2cc(OCC)ncn2)CC1 1300764226 ZTVDMMWABSFXIX-QGZVFWFLSA-N 457.604 2.418 30 10 JEEE C=C(Br)Cn1c(CC2CC2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1300852903 FMPUOEYETBBMRA-UHFFFAOYSA-N 479.423 2.080 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1COCCO1 1301341218 KWCLPMUCLQZEQJ-BDTNDASRSA-N 453.543 2.482 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC(COC)CC1 1301483733 VUPZLYHCSZFEOZ-UHFFFAOYSA-N 451.369 2.211 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1301485027 QAVBPKDYNDWEIT-MRXNPFEDSA-N 463.629 2.201 30 10 JEEE C=CCOc1ccc(Cn2c(-c3cccn3C)nnc2N2CCCN(S(C)(=O)=O)CC2)cc1 1301517658 CMQVKNNMJKIQNW-UHFFFAOYSA-N 470.599 2.368 30 10 JEEE CO[C@@H](C)c1nc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(OCC(N)=O)CC2)cs1 1315149319 BMIVBIPKDNSGPR-HNNXBMFYSA-N 481.582 2.500 30 10 JEEE COCCN1C[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@@H]2CCSC2)CC1=O 1316119778 AGMVWDGQPUIMSA-RTBURBONSA-N 470.599 2.165 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCc1csc(C(C)C)n1)[C@@H]1CCS(=O)(=O)C1 1358963786 OCXMJOZVOKDMPD-SJLPKXTDSA-N 463.629 2.231 30 10 JEEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1Cc1cc(C)no1)[C@H]1CCS(=O)(=O)C1 1358965968 FMSPUAWNOJQNRB-IBGZPJMESA-N 469.567 2.445 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CN(CC(C)C)CCO1 1358971026 FHGYBMWSDXZQKC-GOSISDBHSA-N 459.392 2.465 30 10 JEEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1ncnn1C(C)(C)C 1358981332 GCGSNWFSPCUMPV-UHFFFAOYSA-N 485.640 2.110 30 10 JEEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1CCN(Cc2cccs2)CC1 1358999711 ANFOSSFKCDWYLH-QGZVFWFLSA-N 464.661 2.322 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCN(CC)C1 1359025088 CJUZJUKEEOYXMW-VQTJNVASSA-N 476.622 2.014 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H](C)c2c(C)noc2C)CC1 1359029813 ICTRLZKWWHPIBM-MHECFPHRSA-N 456.591 2.482 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCc2cccc(C(=O)N(C)C)c2)CC1 1359030103 OGOBFDASWGPJLZ-HHHXNRCGSA-N 494.640 2.018 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H](C)N(C)Cc2ccccc2)CC1 1359040059 GOSXUTSBUDMJMA-NHTMILBNSA-N 466.630 2.278 30 10 JEEE C=C(C)COCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCN(C(C)=O)C[C@H]1C 1359135702 LUPPJSUVACYHHO-HSZRJFAPSA-N 495.672 2.293 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C1[C@@H]2CCC[C@@H]12 1359300749 JHWZZYFTROTSHC-ZACQAIPSSA-N 460.579 2.123 30 10 JEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 1359303877 DFQYDRSTVKCZQU-FQEVSTJZSA-N 491.600 2.000 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC2(O)CCN(C(C)C)CC2)C1 1359325000 WGCCFONOGSJJER-IBGZPJMESA-N 488.658 2.286 30 10 JEEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N[C@H](CO)CN(C)C)c1 1449058208 GWEHJXUFHJZBOC-KRWDZBQOSA-N 451.976 2.374 30 10 JEEE N#Cc1cc(F)c(S(=O)(=O)N2CCC[C@@H](NS(=O)(=O)c3cccc(F)c3)C2)c(F)c1 1463044780 BWTVSKZDTJYLLO-CQSZACIVSA-N 459.471 2.107 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cn3nc(C)cc3C)n2CC2([S@@](C)=O)CCC2)c1 1507552173 LZSMEWWSTSMCNW-PGUFJCEWSA-N 493.637 2.497 30 10 JEEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1507580340 AQGNBAKCYNWCNN-MRXNPFEDSA-N 459.480 2.407 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1Cc1ncccc1C)[C@@H]1CCS(=O)(=O)C1 1507628767 QDFUTIIOUORIMV-GOSISDBHSA-N 481.578 2.341 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1507631459 PTJDOYLKUJIRII-ZWKOTPCHSA-N 490.630 2.403 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1cccc(OCC)c1)[C@@H]1CCS(=O)(=O)C1 1507633448 DXMWUWGJFVNQHZ-OAQYLSRUSA-N 465.579 2.338 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1cccc(C(C)(C)O)c1)[C@@H]1CCS(=O)(=O)C1 1507639088 JJCJCLFTUIPGMT-JOCHJYFZSA-N 496.637 2.042 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1CC1CCN(CCN(C)C)CC1 1507643233 JTWJSCDUTWRDTM-UHFFFAOYSA-N 472.435 2.382 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2sc(C)nc2C)CC1 1507735568 CHUDWMLCFKZHHS-XMMPIXPASA-N 486.642 2.406 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCOc2ccccc2)CC1 1507735862 IROXQLNBRCBMBP-AREMUKBSSA-N 481.597 2.364 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1507800994 QUDWLKACJDYJLD-GGPKGHCWSA-N 485.589 2.446 30 10 JEEE C=C(C)COCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(S(C)(=O)=O)CC1 1507840468 MJVGHKVVHCHXQY-UHFFFAOYSA-N 462.572 2.322 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c(-c2ccccn2)nnc1N1CCN2C(=O)NC[C@H]2C1)C(C)C 1508011629 UPHTZRTXVMNIQR-PZJWPPBQSA-N 450.591 2.253 30 10 JEEE C=CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)[C@@H]1CCOC1 1508149861 DLDHZMSFYUBFSG-QGZVFWFLSA-N 451.618 2.340 30 10 JEEE C=CCSCCn1c(N2CCN(C(=O)c3ccco3)CC2)nnc1[C@]1(OCC)CCOC1 1508168862 UUKPFBBCTVPEBG-QFIPXVFZSA-N 461.588 2.405 30 10 JEEE CC1CCN(CCn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@@H](C)CS(C)(=O)=O)CC1 1512351816 AGPUCGGXRPFHQT-IBGZPJMESA-N 474.631 2.330 30 10 JEEE CCN(CC)C(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCO2)CC1 1515498419 COVXGMGMNMWQPX-OAQYLSRUSA-N 467.574 2.492 30 10 JEEE N#Cc1ccc(O[C@H]2CCN(C(=O)CN3C(=O)COc4cc(Br)ccc43)C2)nc1 1527081677 GCQPIABWXMDIOE-HNNXBMFYSA-N 457.284 2.121 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@](C)(O)[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1539213462 ZOMIHVPCOQIKFE-XPIZARPCSA-N 466.007 2.417 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@](O)(c1ccccc1)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1539216190 OVTSAPJAEVFZQV-UTKZUKDTSA-N 493.511 2.350 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@H](C)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1539220175 QEMBEPIVOGNTAO-RXVVDRJESA-N 461.607 2.365 30 10 JEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(O)(c2ccccc2Cl)CC1 1539497121 KIWFSLDFOSUKET-MRXNPFEDSA-N 498.074 2.396 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCN2C(=O)NC[C@H]2C1 1540862629 GDYLZHMLKWMHAH-WMZOPIPTSA-N 487.992 2.204 30 10 JEEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCC[C@H](c2nc(C)no2)C1 1540873807 KNCULCMMOIROEM-SFHVURJKSA-N 451.531 2.277 30 10 JEEE N#CC1CCN(c2nnc(CNC(=O)c3cccs3)n2CCCN2CCCCC2=O)CC1 1555992050 FHYLTOTZVTZXBT-UHFFFAOYSA-N 455.588 2.412 30 10 JEEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1sc(C(=O)OC)cc1Br 1561725477 ZJAZYDLZZCPUKI-UHFFFAOYSA-N 452.348 2.263 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1588030453 VTAGVCWGNQZKCB-AQOAWAETSA-N 464.563 2.345 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1Cc1cnn(-c2ccccc2)c1)[C@@H]1CCS(=O)(=O)C1 1588059389 NCFALNNORULLDY-OAQYLSRUSA-N 452.584 2.337 30 10 JEEE C#CCN(CC)c1nnc(-c2cc(OC)ccc2Br)n1CCCNS(C)(=O)=O 1588280857 SJXUBZUNRNCNKO-UHFFFAOYSA-N 470.393 2.115 30 10 JEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCO[C@H](c2ccccc2)C1 1588983662 BHRQFIVSDSKRDG-MJGOQNOKSA-N 463.629 2.223 30 10 JEEE C#CCSCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1589116541 KIKCZYZBGDIKBU-UHFFFAOYSA-N 470.643 2.051 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CCS(C)(=O)=O 1589568719 LUCZINLJQSKVRB-RXVVDRJESA-N 459.572 2.191 30 10 JEEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1594627658 WHLSSVJVQQXRSC-MRXNPFEDSA-N 493.552 2.315 30 10 JEEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1594807352 MCTSEMFQSSRXAW-LJQANCHMSA-N 455.519 2.057 30 10 JEEE C=CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@]1(N2CCOCC2)CCSC1 1594866556 DTVZDOXSECDYFK-FCHUYYIVSA-N 451.637 2.149 30 10 JEEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1cccc(OCC(N)=O)c1 1594866844 GXPGWPGZTZDFLY-UHFFFAOYSA-N 483.598 2.081 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC(OC[C@@H]2CCCCO2)CC1 1595562165 PJAPVVRZWUMZFG-NRFANRHFSA-N 454.575 2.121 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@H]2CCCN2CC)C1 1595688875 QIDBLKJQVUVWDM-SFTDATJTSA-N 488.658 2.461 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1595798514 PUKQKNFAGFNPKL-UYAOXDASSA-N 451.637 2.084 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCCN(C(=O)c2ccccc2)CC1 1595812178 OVKSZCSFKZGCIS-UHFFFAOYSA-N 457.600 2.184 30 10 JEEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1ccco1 1595883974 DXASRCSENLWHKP-SJLPKXTDSA-N 467.617 2.465 30 10 JEEE CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)CCO1 1596640660 AYBJAHJZEHLZBI-LAUBAEHRSA-N 497.600 2.413 30 10 JEEE CCOC(=O)[C@@H]1C[C@H]2/C(=N\NC(N)=S)CCCC[C@H]2N1S(=O)(=O)c1ccc(C)cc1 1614222307 RHOODRQSFWQUPU-JEMAFSFWSA-N 452.602 2.069 30 10 JEEE CO[C@H](C)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1618946799 GXFDCPKRWNTGJN-IAGOWNOFSA-N 466.521 2.408 30 10 JEEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@@H](c1ccc(Cl)c(F)c1)c1nn[nH]n1 1624780617 GZTJPBICNMVAMJ-SFHVURJKSA-N 453.869 2.362 30 10 JEEE C=CCCC(=O)[C@H]1CCCN1C(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCCO2 1628632913 UPBNHGKYYCMIJD-GOSISDBHSA-N 450.557 2.433 30 10 JEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 1630070017 UWGDHOHJQCXSPZ-AWEZNQCLSA-N 450.517 2.247 30 10 JEEE C#C[C@@H](NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c1ccccc1Br)C(C)(C)C 1641836213 YPOVYOBUKKZOND-JKSUJKDBSA-N 457.390 2.146 30 10 JEEE CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N(O)CCCCc3ccccc3)cc2)CC1 1649046593 ZOVNGQAPQCRIGZ-UHFFFAOYSA-N 459.568 2.394 30 10 JEEE CCOC(=O)c1c(NC(=O)N2CCNC(=O)[C@H]2c2ccccc2C)c(C#N)cn1CCOC 1676108577 FMWSEKYNZAXWLL-LJQANCHMSA-N 453.499 2.196 30 10 JEEE C#CCNS(=O)(=O)N1CCN(C(=O)NCCc2ccccc2Oc2ccc(C)cc2)CC1 1683138432 ILJJOLKEZPLIBI-UHFFFAOYSA-N 456.568 2.125 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1689988422 OWAMUPGVVCAGBT-LJQANCHMSA-N 451.552 2.332 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H]1CCCCN1CCC)[C@H]1CCS(=O)(=O)C1 1689993233 YMSPLQVATABUNK-VXKWHMMOSA-N 470.643 2.155 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CC(=O)N(CCOC)C1 1690090114 WOZSLVGISRKLMB-NHCUHLMSSA-N 469.561 2.446 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccc(NC(C)=O)cc2)CC1 1690153970 FYGSTDOKFNFOFQ-OAQYLSRUSA-N 450.543 2.102 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2cccc(C)c2)nnc1N1CCO[C@H](CNC(C)=O)C1 1690253476 RAYQRWDZKJZMDL-FJIJXJHWSA-N 469.586 2.488 30 10 JEEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1690632628 GPBUIEMZOCVMEV-CQSZACIVSA-N 457.478 2.039 30 10 JEEE C=CCSCCn1c(Cc2csc(C)n2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1690748859 JKADWOOXVAXRRT-UHFFFAOYSA-N 484.655 2.374 30 10 JEEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCCn2ccnn2)c1 1696621107 FKFFOWQLHUMPAR-QFIPXVFZSA-N 483.602 2.007 30 10 JEEE COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCN2CCCCCC2=O)cc1OC 1697380986 ASZDWRTZMXWLIF-LJQANCHMSA-N 468.558 2.484 30 10 JEEE C#CCN(c1nnc(C(C)C)n1Cc1cc(C)nc(N2CCCC2)c1)[C@H]1CCS(=O)(=O)C1 1705559605 DDLPQUHLVXWQMR-FQEVSTJZSA-N 456.616 2.380 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1Cc1nc(C)cs1)[C@@H]1CCS(=O)(=O)C1 1705563482 YMXUKHCTWKGWHU-OAHLLOKOSA-N 462.988 2.433 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC(=O)Nc1c(C)cccc1C)[C@@H]1CCS(=O)(=O)C1 1705567032 SMVKZFMUTDVPDH-UXHICEINSA-N 485.610 2.402 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc2c(c1)OCCO2 1705582500 CIOKYLUNJVGBHE-HXUWFJFHSA-N 493.564 2.479 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CC12CCOCC2 1705619307 MVWNFNIBNWAQEY-PKOBYXMFSA-N 475.590 2.484 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CCc1ccc(Br)s1 1705627449 HEPIKSHVBVWQQR-AWEZNQCLSA-N 452.378 2.382 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3OCC)n2Cc2c(C)nn(C)c2C)CC1 1705642844 JGYUOFLVXRLLNT-UHFFFAOYSA-N 463.586 2.410 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2CCC(=O)NC(C)(C)C)CC1 1705651120 KFVZROCBLNMZMO-UHFFFAOYSA-N 484.576 2.267 30 10 JEEE C=C(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)CC(=O)N1CCOCC1 1705725312 SNQPVVFGFFYERC-UHFFFAOYSA-N 462.595 2.264 30 10 JEEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1705787473 UECDUYUKAHOZBJ-GOSISDBHSA-N 466.652 2.224 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC2(CCOCC2)C1 1705792612 WUUCJCBYROPCGZ-SFHVURJKSA-N 467.636 2.220 30 10 JEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCN(c2ccccc2OC)CC1 1705905855 JIZCXLOTMLZFEH-UHFFFAOYSA-N 467.599 2.271 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 1705932136 MNMPYBLPGDGMAW-OAHLLOKOSA-N 459.494 2.489 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@H]2CCCCN2C2CC2)c1 1722305160 DWOVUFRADGQULX-JOCHJYFZSA-N 477.613 2.489 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1ccc(C)cc1OC)[C@@H]1CCS(=O)(=O)C1 1722366063 OOMCXLMIVYNCHH-OAQYLSRUSA-N 465.579 2.256 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H](C)Oc1ccccc1C)[C@@H]1CCS(=O)(=O)C1 1722367272 MIBDLPMCIQKQAT-XUVXKRRUSA-N 458.584 2.185 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@]1(N2CCOCC2)CCSC1 1722387194 AESAYEZAQUQCTP-DNRQZRRGSA-N 471.671 2.477 30 10 JEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(C[S@](C)=O)cc1 1722387375 UTKAZHDARHMGRS-YTTGMZPUSA-N 465.604 2.269 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(OC)ccc2Br)n1Cc1nncn1CC 1722420432 JKSUDYGARYSTDL-UHFFFAOYSA-N 474.363 2.462 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCCCN2CCCC[C@@H]2C)CC1 1722432889 IGNZPSYJZZPMJB-DHLKQENFSA-N 458.651 2.340 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC2(O)CCOCC2)CC1 1722445130 SEOSCLGGPDBTOL-SFHVURJKSA-N 485.560 2.065 30 10 JEEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2ncccn2)CC1 1722465314 JAXPHROBLQWITG-UHFFFAOYSA-N 460.567 2.212 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C2CCN(c3ncccn3)CC2)n1CC(C)(C)C(=O)NC 1722473218 AKKMHZXRIJZNDN-XMMPIXPASA-N 450.591 2.216 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1 1722493680 KQBOAZLMSAQMDX-IRLDBZIGSA-N 450.543 2.093 30 10 JEEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1722536983 JTEBXMOYAYFNCZ-RBUKOAKNSA-N 465.595 2.495 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1722695811 QQRLLQNLTYOPTK-SJLPKXTDSA-N 499.568 2.475 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cccc(Cl)c2)C1 1722717955 FOVVCWMUTIJNKY-RTBURBONSA-N 482.006 2.094 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1cccc(Cl)c1 1722724621 BIXAMRZZXCWQHO-UHFFFAOYSA-N 451.980 2.405 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@@H](CCOC)C1 1722727906 PKZANAYZOCXGDR-INIZCTEOSA-N 472.571 2.058 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)cc1OCCCOC 1740553683 UBPQKPGXNIDCRP-ICSRJNTNSA-N 460.600 2.410 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(CC)CC)n2Cc2nnc(C)s2)c1 1740561991 JYIPVNUMYWPLJU-UHFFFAOYSA-N 480.598 2.461 30 10 JEEE C#CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCO[C@@H](COC)C1 1740589273 UDMREIUIHMFWHS-GOSISDBHSA-N 450.543 2.330 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1CC(=C)Cl)[C@H]1CCS(=O)(=O)C1 1740619516 JNFZAGHGTQEYLC-INIZCTEOSA-N 450.948 2.342 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(C)C)n1CC(=O)NCc1ccco1 1740675589 DYVDOFRUXYMHRW-UHFFFAOYSA-N 452.490 2.105 30 10 JEEE C#CCSCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCc2nn(C)c(=O)cc2C1 1740713880 SVHRISCEMVETIL-UHFFFAOYSA-N 480.594 2.375 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2ccsc2)CC1 1740751311 ITVMQZFVOHAHTH-IHPCNDPISA-N 494.687 2.253 30 10 JEEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1Cc2ccoc2CC(C)(C)C1 1740794613 DYSNOCFGCAEHLV-HXUWFJFHSA-N 493.630 2.386 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2ccc(F)cc2)C1 1740794977 LSMXJTQKAKSUIO-UYAOXDASSA-N 464.563 2.490 30 10 JEEE C=CCN(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1C[C@]1(O)CCS(=O)(=O)C1 1740902907 DTOHBWQGVRKKBE-OAQYLSRUSA-N 469.007 2.423 30 10 JEEE C=CCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1740946208 ZXUFLUHVUHYACH-QGZVFWFLSA-N 485.614 2.188 30 10 JEEE C=CCNC(=O)Cn1c(N(C)C[C@@H]2CCCOC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740965022 KXFGQSFLYQZYKJ-OKZBNKHCSA-N 462.595 2.214 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H](C)c1ccccc1 1741130910 CKQJUAWMENCYGG-HBFSDRIKSA-N 460.604 2.401 30 10 JEEE CC(C)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCOCC2)[C@@H](C)C1=O 1741559708 BONIYUNSTUYACX-FQEVSTJZSA-N 465.602 2.232 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1Cc1ncccc1N(C)C 1741674252 AGJIHHZIYVCYNV-UHFFFAOYSA-N 491.575 2.263 30 10 JEEE CCN(CC)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCOC2)CC1 1746047557 HTYJKJWAWRBQOR-NRFANRHFSA-N 465.602 2.234 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cn(C)c3ccccc23)n1CCS(=O)(=O)N1CCSCC1 1748662703 ZNWWIIVJWGUUBW-KRWDZBQOSA-N 472.640 2.273 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN1C(=O)OC(C)(C)C 1748672800 XVXYOXPQCPYEGX-GVDBMIGSSA-N 451.593 2.038 30 10 JEEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1ccccc1CN1CCC(O)CC1)[C@H]1CCS(=O)(=O)C1 1748805472 SFFXTMGUYUYTCX-REWPJTCUSA-N 499.681 2.423 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCCOC3)n2CC2CCN(C(=O)OC)CC2)n1 1748971109 CYJIJSAOBFYLGO-OAQYLSRUSA-N 499.616 2.133 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2Cc2c(C)coc2C)CC1 1748979735 KNWUUQXUKZOCEK-UHFFFAOYSA-N 482.610 2.209 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2CCc2nccnc2C)CC1 1749015481 FMZQPLRELMTQPF-UHFFFAOYSA-N 473.581 2.207 30 10 JEEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1749085758 FBGALTNLMATRRS-CABCVRRESA-N 472.413 2.143 30 10 JEEE C=C(C)Cn1c(CC(C)C)nnc1N1C[C@@H]2[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1749195056 FHTAXRJWBSOMLS-IXDOHACOSA-N 453.609 2.179 30 10 JEEE C=C(C)COCCn1c(N2CCC(C(N)=O)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1749240003 RXLWCRXSQRVHFY-HDICACEKSA-N 462.595 2.343 30 10 JEEE C=C1CCN(c2nnc(Cc3c(F)cccc3F)n2CCNS(=O)(=O)Cc2ccon2)CC1 1749304961 APHSNRGRGBOHKN-UHFFFAOYSA-N 478.525 2.411 30 10 JEEE C=CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1749606478 ZJJSYRNZMHRNOS-KRWDZBQOSA-N 456.522 2.014 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCS(=O)(=O)CC)C1 1749694461 SCSQENIHFVBCPH-IBGZPJMESA-N 461.588 2.363 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC(C(=O)Nc2ccc(C)cn2)CC1 1749730010 WTQRLBCKPVIAOZ-UHFFFAOYSA-N 495.609 2.499 30 10 JEEE CC(=O)N1CCC[C@H](Cn2c([C@@H]3COCCN3C(=O)OC(C)(C)C)nnc2N(C)C[C@H](C)C#N)C1 1749821283 GCXNJWQLHRZQPW-HOJAQTOUSA-N 489.621 2.441 30 10 JEEE CS(=O)(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@H]2CCCCO2)CC1 1750211147 DYBCMTGHNOZXRM-HXUWFJFHSA-N 458.588 2.294 30 10 JEEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1760155261 UQYMKMBYYXEZCL-ZWKOTPCHSA-N 481.619 2.013 30 10 JEEE C#CCN(c1nnc(C(C)C)n1CCCS(=O)(=O)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1760182981 NSJWEEFAWUFNKD-HXUWFJFHSA-N 478.640 2.033 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H](OC)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1760188216 NOQXTIRCZOEDJJ-HKBOAZHASA-N 458.584 2.187 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@H](c1ccsc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1760190544 RWFYCGKBQQWVIG-NHCUHLMSSA-N 484.651 2.255 30 10 JEEE C#CCN(CCOC)c1nnc(Cn2ccc3ccccc32)n1C[C@H]1CCCCS1(=O)=O 1760250672 KFAPZTIIRGTLSR-HXUWFJFHSA-N 455.584 2.334 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccc3nsnc3c2)CC1 1760251665 FZWHZECAKCCABF-UHFFFAOYSA-N 452.588 2.005 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnn(C)c3)n2Cc2cc(F)ccc2F)n1 1760253479 ZIWQHNJBOHWBSN-UHFFFAOYSA-N 466.496 2.488 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCOc2ccc(OC)cc2)CC1 1760270589 ZTDRVKIXOSCYTE-FQEVSTJZSA-N 467.570 2.226 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2Cc2cccc(O)c2)CC1 1760271841 OKJSSVHGQITLEL-UHFFFAOYSA-N 450.568 2.354 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(C)CN(C)C1=O 1760336505 AJZCBWXJMWDNFM-SBUREZEXSA-N 462.595 2.467 30 10 JEEE C=C(C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1760343051 WIIFHIGBWIXTSD-LJQANCHMSA-N 454.531 2.305 30 10 JEEE C=CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](C)(C(=O)NC)C1)c1ccccc1 1760418350 QYUPWHORLKBVTR-LYHRCORUSA-N 474.631 2.211 30 10 JEEE CCC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1)OC 1763857681 IAJGXVRZNXPRGX-OAQYLSRUSA-N 474.569 2.452 30 10 JEEE CCN1CCN(CCCn2c(-c3cccc(C#N)c3)nnc2N2CCN(CC)[C@H](C)C2)CC1 1765568792 GNTKCKZCVMSQHP-OAQYLSRUSA-N 450.635 2.375 30 10 JEEE CO[C@@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1769564763 ICLVBINSOCAJBF-KRWDZBQOSA-N 462.558 2.232 30 10 JEEE N#C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cc(Cl)ccc2OC(F)F)CCO1 1770747176 GQKIGBRKIFNTSD-IUODEOHRSA-N 487.916 2.212 30 10 JEEE C[C@H]1C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@]34O[C@@H]4C[C@@]2(C)[C@]1(O)C(=O)COP(=O)(O)O 1848437854 MQIPOTRPMRQLSW-AQLLCOTRSA-N 452.440 2.081 30 10 JEEE Nc1cccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc([N+](=O)[O-])cc2)c1 1862557673 LQEJQGZMGKDVQH-HXUWFJFHSA-N 452.467 2.088 30 10 JEEE CC(=O)c1cccc(NC(=O)[C@@H](CO)NC(=O)C2CCN([C@H](C#N)c3cccs3)CC2)c1 1866868007 RKHWIMPKVBHTJP-WOJBJXKFSA-N 454.552 2.343 30 10 JEEE C[C@@H](NC(=O)C[C@@H](c1cccc(Br)c1)c1nn[nH]n1)C(=O)Nc1ccccc1C#N 1867246772 JTKGHOOXUARLOA-WBMJQRKESA-N 468.315 2.499 30 10 JEEE CSCC[C@@H](NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1)C(=O)N1CCOCC1 1868782147 DSQCNMGVBGFRBE-MSOLQXFVSA-N 450.630 2.121 30 10 JEEE COc1ccc(/C=C/C(=O)Nc2c(C#N)nnn2-c2ccc3c(c2)C(=O)N(C)C3=O)c(OC)c1 1870141303 KMOSFGQZIALSFN-WEVVVXLNSA-N 458.434 2.034 30 10 JEEE C=CCn1cc(OCC(=O)Nc2c(CC)cccc2CC)c(=O)cc1CN1CCN(CCO)CC1 1870718075 BQOHLHYSNSFLJI-UHFFFAOYSA-N 482.625 2.287 30 10 JEEE COC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)(C)C)C2)n1/N=C/c1ccc(O)c(OC)c1 1874277893 FTOQQMYSGRVGDA-KHAGQWAKSA-N 461.544 2.254 30 10 JEEE Cc1c(C(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)cnc(N(C)C)c1Br 1889471175 QUWFNCXQFSALSO-UHFFFAOYSA-N 492.462 2.091 30 10 JEEE Cc1nc(I)c(I)n1CC[C@H](C#N)NC1CC1 1941557519 YSFCPCXCVOYEPT-SECBINFHSA-N 456.069 2.435 30 10 JEEE O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCSC1=NCCc1ccccc1 2052133346 CUUCWQCTWHOMNR-UHFFFAOYSA-N 459.593 2.495 30 10 JEEE C=C1C[C@@H]2[C@]3(C)CCC(=O)C(C)(C)[C@@H]3C(=O)[C@H](O)[C@]2(C)[C@]2(C(=O)OC)C(=O)[C@@H](C)OC(=O)[C@]12C 2069569206 DTCVESNFTXDLOC-LWIGFKRDSA-N 474.550 2.204 30 10 JEEE CC1(C)OB(c2ccc3c(c2)N(S(=O)(=O)CCN2C(=O)c4ccccc4C2=O)CCC3)OC1(C)C 2088912153 PVIAGEFRVLHDDT-UHFFFAOYSA-N 496.394 2.364 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H](C(=O)NCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2185161551 IECAXXIOYUGEQO-HKUYNNGSSA-N 460.380 2.220 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2255751748 CFAOLYBXRFOHJC-ZUOKHONESA-N 470.422 2.335 30 10 JEEE C=C(CS(=O)(=O)N(C)C[C@H]1COCCN1C(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2255795114 SGLJPKBEIKPUTL-INIZCTEOSA-N 460.402 2.072 30 10 JEEE CC(C)(C)OC(=O)N[C@](C)(C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)C(F)(F)F 2256619504 ZQKBUGKWJVGIQR-MRXNPFEDSA-N 466.291 2.043 30 10 JEEE CC(C)(C)OC(=O)N1CC(CO)(NC(=O)c2ccc(Cl)c(B3OC(C)(C)C(C)(C)O3)c2)C1 2266985786 ZWYSNSWPUYQMPC-UHFFFAOYSA-N 466.771 2.351 30 10 JEEE COCCN(C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)o1)C1CN(C(=O)OC(C)(C)C)C1 2267291970 WTPZVJWWLBFJCD-UHFFFAOYSA-N 450.341 2.287 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1[C@@H]2CN(S(=O)(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)cc3)C[C@@H]21 2267370541 NFXFLHSOTPALDZ-PIIMJCKOSA-N 464.393 2.129 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@H](NS(=O)(=O)c2ccc(F)cc2B2OC(C)(C)C(C)(C)O2)C1 2267702387 GDSHPMKKVPRIRQ-SHTZXODSSA-N 470.372 2.459 30 10 JEEE CCN(CCCOCc1ccccc1)S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2267709152 WTHQRKZAIVKIFX-UHFFFAOYSA-N 463.409 2.337 30 10 JEEE Cn1ncc(C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C(C)(C)C2)c1B1OC(C)(C)C(C)(C)O1 2281826343 GIUCTXOWVHPVGK-INIZCTEOSA-N 462.400 2.485 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1C(F)(F)F 2281978474 DKSXXXKNNHUYMU-AAEUAGOBSA-N 474.289 2.237 30 10 JEEE CC(C)(C)OC(=O)N1CC2(CC[C@H](CNC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)sn3)O2)C1 2282004173 HUDPLDAOIPBYBI-CQSZACIVSA-N 479.408 2.341 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@@](NC(=O)c3ncc(B4OC(C)(C)C(C)(C)O4)cn3)(C2)C1 2282053239 GTYPGQQQLVZISF-NPMXOYFQSA-N 458.368 2.295 30 10 JEEE CC(C)(C)OC(=O)N1CCC(NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)(C(N)=O)CC1 2282198378 AGXILIUSFOGHLR-UHFFFAOYSA-N 479.408 2.032 30 10 JEEE CN(C1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2282343180 OOYJMLLRSDCSGT-QZTJIDSGSA-N 478.420 2.472 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](O)CN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1F 2282396637 CHZSQWCXXBKYSH-CVEARBPZSA-N 464.343 2.225 30 10 JEEE C=C(CS(=O)(=O)N1CC[C@@H](N2CCN(Cc3ccccc3)CC2)C1)B1OC(C)(C)C(C)(C)O1 2282417038 DYEDLJPMBOHFON-JOCHJYFZSA-N 475.464 2.396 30 10 JEEE COCC1(NC(=O)OC(C)(C)C)CC(NC(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)C1 2282520166 PURZFUFSYLSYKO-UHFFFAOYSA-N 461.368 2.183 30 10 JEEE Cn1cc(C(=O)N[C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)nc1B1OC(C)(C)C(C)(C)O1 2282546050 UJCNBITUSDLXQP-HSALFYBXSA-N 450.392 2.360 30 10 JEEE CC(C)(C)OC(=O)N[C@@]12CCC[C@@H]1CN(C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)C2 2283070102 UWNHQBMPEVDIOF-IQMFZBJNSA-N 458.368 2.295 30 10 JEEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)C(=O)CN1CC(NC(=O)OC(C)(C)C)C1 2283985201 GMKYHZBEYPTRKI-UHFFFAOYSA-N 459.396 2.153 30 10 JEEE CN(Cc1csc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)[C@@H](F)C1(O)CN(C(=O)OC(C)(C)C)C1 2284055537 VEJKEQVGLDITGS-MRXNPFEDSA-N 484.399 2.326 30 10 JEEE COc1ccc(C(=O)N[C@@H](COCc2ccccc2)C(=O)O)c(B2OC(C)(C)C(C)(C)O2)c1 2284465657 RQPLHCDCIUTQET-FQEVSTJZSA-N 455.316 2.394 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)NCCN(C[C@H](C)O)C(=O)OC(C)(C)C 2285199088 JQTCWAZMRXEGCD-INIZCTEOSA-N 463.384 2.037 30 10 JEEE CCc1nc(C(=O)N(CCNC(=O)OC(C)(C)C)C[C@H](C)O)c(B2OC(C)(C)C(C)(C)O2)s1 2285352852 IUCPOGGYGLLCQP-AWEZNQCLSA-N 483.440 2.352 30 10 JEEE Cc1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC1(CO)CN(C(=O)OC(C)(C)C)C1 2285975353 YGJPQKDUSKNMES-UHFFFAOYSA-N 464.343 2.145 30 10 JEEE CN(C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1)[C@@H]1CN(C(=O)OC(C)(C)C)CC1(C)C 2289941358 VCUYCVVFSYJVGM-MRXNPFEDSA-N 462.400 2.437 30 10 JEEE Cn1ncc(C(=O)N2CC(F)(F)C[C@H]2CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2296425374 SVCXAISMNDAFKW-ZDUSSCGKSA-N 470.326 2.094 30 10 JEEE Cc1c(C=C2SC(=S)N(CCC(=O)O)C2=O)c(N2CCC[C@@H](C)C2)n(C)c(=O)c1C#N 2314457347 GBIWTJNUYAHNMH-GFCCVEGCSA-N 460.581 2.478 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)n1C 2362342536 ZXXUQBHLAUZNCU-HOCLYGCPSA-N 462.400 2.403 30 10 JEEE CC(C)(C)OC(=O)N1[C@H](CN=c2cc(B3OC(C)(C)C(C)(C)O3)c(F)c[nH]2)C[C@@H]2COC[C@@H]21 2371992127 KYJMVJNYCMHEAK-VKJFTORMSA-N 463.359 2.378 30 10 JEEE COC(=O)[C@@H]1Cc2ncn(Cc3ccc(OC)cc3)c2CN1S(=O)(=O)c1ccc(C#N)cc1 15676417 FKJWMAHSKZISDH-NRFANRHFSA-N 466.519 2.100 30 10 JEEE biogenic CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC#Cc2ccc(N3CCOC3=O)cc2)cc1 96349869 CVCLIZAKLVRWIM-UHFFFAOYSA-N 455.536 2.455 30 10 JEEE C[C@H](NC(=O)/C(C#N)=c1\s/c(=C/c2cnn(C)c2)c(=O)n1-c1ccccc1)c1ccccc1 96940720 FBHBPKQTTLJIIA-WVLBCSSTSA-N 455.543 2.013 30 10 JEEE COc1cc(/C=C\C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)ccc1OCC#N 97986038 IKQPNIYNZZSEHJ-OQFOIZHKSA-N 459.499 2.283 30 10 JEEE CCOC(=O)[C@@H]1CCCN(c2nc(O)c3c(n2)NC(=O)[C@H](C#N)[C@H]3c2ccc([N+](=O)[O-])cc2)C1 256033315 ONNDABIMKXGXCE-FVQBIDKESA-N 466.454 2.094 30 10 JEEE C[C@H]1C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@H]3C(=O)C[C@@]2(C)[C@]1(O)C(=O)COC(=O)CCC(=O)O 306121960 NSUOIXNBPZQTLB-PVQLXXNESA-N 472.534 2.428 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)NCCNC(=O)c3cccc(Br)c3)cc2C1=O 504915776 SPFYLJLNBVAREC-UHFFFAOYSA-N 456.296 2.391 30 10 JEEE CC(C)n1cc(C=NNc2nnc(SCC(=O)NCCc3ccc(Cl)cc3)n2N)cn1 1084206302 UKFHPNFDIOPSMM-UHFFFAOYSA-N 461.983 2.320 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](c1ccc(C)o1)N1CCOCC1 1286271013 PUYVHWAQGSGTLE-MJGOQNOKSA-N 463.542 2.358 30 10 JEEE C#CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(S(C)(=O)=O)CC1 1286325008 UGFHUGXDBDNXRN-UHFFFAOYSA-N 471.631 2.269 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CCc1ccc(OC)cc1OC)[C@@H]1CCS(=O)(=O)C1 1286390812 FJMKEUZVVLABNJ-OAQYLSRUSA-N 495.605 2.151 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CC(=O)NCC(F)(F)F)CC1 1286474223 FQMRSUUSYRVFBA-UHFFFAOYSA-N 494.518 2.175 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2c(F)cc(F)c(F)c2F)CC1 1286489916 HWUIJFISCGPMHF-UHFFFAOYSA-N 475.450 2.249 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H]2CCN(CC(F)(F)F)C2)CC1 1286493750 PQYSOZFMUYYUOF-MJGOQNOKSA-N 482.551 2.370 30 10 JEEE C#CCSCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCN2C(=O)NC[C@H]2C1 1286500740 XXCHMMNHUSXCQH-AWEZNQCLSA-N 491.415 2.296 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CCOC2)n1C[C@@H]1C[C@@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1286773202 JTNNMWKUXSUQKU-ZRNYENFQSA-N 477.606 2.445 30 10 JEEE CC1CCN(CCCn2c(-c3cccc(C#N)c3)nnc2N2CCC(OCC(N)=O)CC2)CC1 1291182192 GTCLKRMTJTXNGN-UHFFFAOYSA-N 465.602 2.409 30 10 JEEE CC[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CC(=O)N(CCOC)C2)C1 1293498693 GDUFNAZFBVIAMC-QUCCMNQESA-N 452.559 2.460 30 10 JEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1300411599 VLZHDABVLZYIRM-JOCHJYFZSA-N 466.611 2.178 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1[C@H](C)CCN1C(=O)OC(C)(C)C 1300578802 PKQPRHKAMDKIDY-AQNXPRMDSA-N 489.642 2.289 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC2(C(=O)N(C)C)CCCC2)CC1 1300686245 YUFBYWSPPJOVPX-UHFFFAOYSA-N 488.434 2.440 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCN(C)C(C)C)CC1 1300719662 LDOGMISOZIJRNE-UHFFFAOYSA-N 474.613 2.437 30 10 JEEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1ccco1 1301258097 LBWIMMOCROTVJP-MJGOQNOKSA-N 465.576 2.138 30 10 JEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)c1ccc(OC)c(OC)c1 1301296561 IUQFTIIWIGONRJ-HXUWFJFHSA-N 493.630 2.228 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c(-c2noc3c2COCC3)nnc1N1CC(=O)N(C)[C@H](C)C1)C(C)C 1301366627 GKTNHFZSMHPHKJ-QUCCMNQESA-N 483.617 2.371 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1301585246 JBXGFGLBKZOVLM-UHFFFAOYSA-N 484.557 2.242 30 10 JEEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](N2CCOCC2)C(F)(F)F)CCO1 1305142254 HZIBCLDBWFQJHR-MAUKXSAKSA-N 450.465 2.305 30 10 JEEE CC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1)OC 1305816880 CEHCDPMSSFTSIY-KNQAVFIVSA-N 465.602 2.375 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1ccc(C)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1358960409 DKGQXVPKFNONCK-LJQANCHMSA-N 451.552 2.332 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H](C)N(C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1358965142 OQXJJIKSEOLGIN-NFBKMPQASA-N 478.622 2.416 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CCc1ccccn1)[C@@H]1CCS(=O)(=O)C1 1358967571 NIJGIVMOFQVSSO-OAQYLSRUSA-N 465.579 2.430 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC2(O)CCOCC2)C1 1359325715 LNTGVJPAEUIRSX-OAQYLSRUSA-N 453.543 2.442 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCO[C@H](C(C)C)C1 1359332822 HZIHVQKHQORBPA-PMACEKPBSA-N 462.572 2.253 30 10 JEEE C=CCNS(=O)(=O)c1ccc(C(=O)N2C[C@@H](OCC)[C@H](CNC(=O)OC(C)(C)C)C2)cc1 1452876308 IHAPNFBLRWTVDM-IEBWSBKVSA-N 467.588 2.153 30 10 JEEE C#CCN(Cc1c(C)nn(CCS(C)(=O)=O)c1C)C1CCN(C(=O)OC(C)(C)C)CC1 1473796009 AANMPPGXNFXJCD-UHFFFAOYSA-N 452.621 2.379 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@H](C)N1CCC[C@@H](C)C1 1493686996 AQZDPNOQYWJCBF-WOJBJXKFSA-N 479.633 2.130 30 10 JEEE COC[C@@H](C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ccccc2C#N)CC1 1504557037 FCOZGZCJDRFRHO-SFHVURJKSA-N 460.542 2.406 30 10 JEEE COC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1)OC 1504578572 DBKNKWZGBOFZMD-OAQYLSRUSA-N 465.558 2.405 30 10 JEEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccccc1CN1CCOCC1 1507642464 VFTPQVNKQORCAH-MHZLTWQESA-N 477.609 2.272 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1C[C@H]1CCCN(C(C)=O)C1 1507643855 SXSZURSBRAKMAN-KRWDZBQOSA-N 457.376 2.377 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(=O)Nc1ccc(F)cc1 1507665131 JWRZSADEADUMIK-UHFFFAOYSA-N 493.568 2.479 30 10 JEEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCN(CC(F)(F)F)C1 1507713757 WHYSSFPYBRZBBJ-SFHVURJKSA-N 453.513 2.110 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)[C@H](C)CC(N)=O 1507795751 KAGNGZXDSFKRJJ-AYBZRNKSSA-N 489.646 2.228 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCCOC2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1507800510 VYVCPKPTPAXIKR-NSHGMRRFSA-N 467.636 2.014 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1507801410 VCQZJJUILNJEJY-DFEOGRTESA-N 460.579 2.314 30 10 JEEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1507840267 KWKVAEFGZMMUDO-KRWDZBQOSA-N 474.009 2.375 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(C(N)=O)nc1 1508018296 BYBMHJGZGIHTKE-LJQANCHMSA-N 483.573 2.307 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](COC)C1 1508091007 QZYSYIWCCJTMCX-QZTJIDSGSA-N 462.595 2.168 30 10 JEEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCCN(C2CCCC2)CC1 1508091818 NYSZORKKTRZOBA-UHFFFAOYSA-N 471.631 2.027 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1508092945 SQYGWLOARVBSHX-PXNSSMCTSA-N 482.585 2.224 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@](C)(CC)C1 1508129307 BHAGFELQHUIFFQ-JOCHJYFZSA-N 496.033 2.468 30 10 JEEE CS(=O)(=O)N(CC(F)(F)F)C1CCN(C(=O)c2cnc(C(F)(F)F)c(C#N)c2)CC1 1521840280 DEADMSOAFDRMNR-UHFFFAOYSA-N 458.384 2.401 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1cn(C2COC2)nn1 1539016474 YQTBXGJILBUMGL-IRXDYDNUSA-N 470.578 2.062 30 10 JEEE C#CCCCCn1c(-c2cc(Br)cn2C)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1539050245 ZRAVJQSNLJJABY-MRXNPFEDSA-N 460.380 2.406 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CC1(N(C)C)CCCC1)[C@@H]1CCS(=O)(=O)C1 1539210265 AQNVXSUJPYOPPG-HXUWFJFHSA-N 471.627 2.455 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1CCCOC[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1539211819 PLIPECGOCNOOEN-SFTDATJTSA-N 472.611 2.323 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1CCOc1cc(C)cc(C)c1)[C@@H]1CCS(=O)(=O)C1 1539219159 BEZAYBPPMACLKW-VQTJNVASSA-N 458.584 2.105 30 10 JEEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1539230336 LXEYYWMFIQKKFU-WOJBJXKFSA-N 458.584 2.280 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccnc3)n2Cc2c(C)nn(C)c2C)n1 1539424124 LLLHKVLCAPWDPM-UHFFFAOYSA-N 459.558 2.221 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CCN2CCOC(C)(C)C2)CC1 1539441185 LPSFIRAHGNOPNR-UHFFFAOYSA-N 482.629 2.218 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c(-c2cnccn2)nnc1N1CC[C@]2(CCC(=O)N2)C1)C(C)C 1540152655 ZSAVHTYSNZVXHA-GBXCKJPGSA-N 450.591 2.293 30 10 JEEE C=CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1540855005 SMLFAUKGDSMOBL-UHFFFAOYSA-N 454.575 2.283 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1540863606 ZHTKGLFUWXVKEC-OPAMFIHVSA-N 494.017 2.389 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN2CCCC[C@@H]2C1 1540870008 CBHSJDQWUODCSL-WOJBJXKFSA-N 487.649 2.369 30 10 JEEE C=CCNC(=O)Cn1c(N2CCO[C@H](c3ccccc3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1540876570 VNKBUSYIFUPTRX-GBXCKJPGSA-N 455.559 2.199 30 10 JEEE C=CCOc1ccc(Cn2c(COCC)nnc2N2C[C@@H](C)[C@@H](N3CCN(C(C)=O)CC3)C2)cc1 1540878768 HURXQHBOTJCMOQ-YKSBVNFPSA-N 482.629 2.417 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CC[C@H](C(N)=O)C1 1540899159 FPNKINVMPZWMIQ-CABCVRRESA-N 463.629 2.044 30 10 JEEE CC(=O)N[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2([S@@](C)=O)CCC2)C1 1541039181 AGSAATXIFMTCBH-DUTUXMCTSA-N 470.599 2.135 30 10 JEEE CCN1CCN(C[C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(C(=O)OC)CC2)CC1 1547727507 GEFWJPGDXPJTOP-FQEVSTJZSA-N 479.629 2.480 30 10 JEEE CCOC(=O)c1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c1 1561338556 CVNBMYCDHYIARB-HNNXBMFYSA-N 453.517 2.005 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1CC1(SC)CC1)[C@H]1CCS(=O)(=O)C1 1588064125 BEMABZJVNZCGIU-INIZCTEOSA-N 451.643 2.156 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(=O)N(C)C1CCCCC1 1588218909 HSAJYAQUJQRGNL-UHFFFAOYSA-N 485.592 2.446 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCOc2cccc(F)c2)CC1 1588752843 WYHYMAUIBVZJJI-DEOSSOPVSA-N 457.550 2.292 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C)c2ccc(C)cc2)CC1 1588930512 YEJCCHCEAWQNKQ-DENIHFKCSA-N 483.638 2.258 30 10 JEEE C=C(Cl)Cn1c(N(C)[C@@H]2CCS(=O)(=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1593933020 UDWFHQMGZZQPJN-QLFBSQMISA-N 460.000 2.425 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(C)CCCO1 1595115571 LDIXJQNUTAYJCS-NFBKMPQASA-N 475.615 2.373 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCO[C@@H](C)C1 1595261290 POYVNOZMFUVSCR-ZJOUEHCJSA-N 493.630 2.254 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(OC)CCOC1 1595303438 SWMFSWWEXXTARN-FDDCHVKYSA-N 481.594 2.031 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1nc2ccccc2s1 1595754584 OUIBIQCXMBDZKF-UHFFFAOYSA-N 474.612 2.361 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N(C)Cc1nc(O)c2ccccc2n1 1595799082 XBOVTXGWURKYSU-MRXNPFEDSA-N 472.571 2.058 30 10 JEEE CC(=O)N1CCN(CCn2c(COc3ccc(C#N)cc3)nnc2N2C[C@@H](C)C[C@H](C)C2)CC1 1596296580 IAAUOGLEURKBGP-PMACEKPBSA-N 465.602 2.375 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(c2ccc(F)cc2F)CC1 1596781340 AQMJKLMEVWAQMN-KGLIPLIRSA-N 452.531 2.494 30 10 JEEE CCCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1614498904 BAZVNZWZSPXASO-QFIPXVFZSA-N 465.602 2.376 30 10 JEEE C#CCOc1ccc(C(=O)NC[C@@H](O)COc2ccc(I)cc2)cc1 1622535881 FHDPXMNKXVJUAX-MRXNPFEDSA-N 451.260 2.473 30 10 JEEE C=C(C)CN1CCC(NC(=O)c2sccc2S(=O)(=O)N2CCCC[C@H]2CCO)CC1 1627251874 XPSGOFNWTJMLCD-SFHVURJKSA-N 455.646 2.444 30 10 JEEE CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@@]2(C)CN(C(=O)OC(C)(C)C)CCO2)c1 1637629974 QMYGQHRRADELQJ-QFIPXVFZSA-N 450.557 2.239 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@H](C)c2ccc(S(C)(=O)=O)cc2)s1 1643822024 KUAFRZYHZYQDQZ-AWEZNQCLSA-N 456.611 2.078 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)OC(C)(C)C)s1 1646381942 MJMCLDMBCGDOSB-BMFZPTHFSA-N 455.602 2.412 30 10 JEEE C#CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@H](S(C)(=O)=O)C1 1689887293 WBWFMMPWNGRGII-KRWDZBQOSA-N 468.583 2.102 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccccc2Br)CC1 1690109493 TYFBWXGSUIGUCP-UHFFFAOYSA-N 457.376 2.080 30 10 JEEE C=C(C)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(Cc2nc(COC)no2)CC1 1690295789 PSYLHZLOIZCEHN-UHFFFAOYSA-N 457.510 2.424 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC[C@H](CN3CCCCCC3)C2)nnc1[C@@]1(OCC)CCOC1 1690677061 LXOLTSXQDYTUNL-PXDATVDWSA-N 474.650 2.325 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1690720789 SHUQCPNKICMDHT-IUKKYPGJSA-N 476.599 2.327 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@H](C)O[C@H](CC)C1 1690724099 ICEJWUXYEGIIAR-AZUAARDMSA-N 489.646 2.057 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1690727058 STTOPMNUTMNIOY-HXUWFJFHSA-N 455.588 2.211 30 10 JEEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 1696476149 AZZHDUHZSWTDMW-LJQANCHMSA-N 473.599 2.273 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CCC(=O)N1CCOCC1 1705485160 FFCBLBIOVRCBRW-SFHVURJKSA-N 455.559 2.448 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2C[C@@]2(C)COCCO2)c1 1705506958 NAVODGLSGCCVNA-VWLOTQADSA-N 460.538 2.126 30 10 JEEE C#CCN(c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCC1CC1)[C@@H]1CCS(=O)(=O)C1 1705566512 NVUFYHGOHIFSGC-RTBURBONSA-N 493.630 2.013 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC2CCCC2)nc1 1705598828 RGGBCMWRKLDXJW-FQEVSTJZSA-N 467.595 2.408 30 10 JEEE C#CCN(CC#CC)c1nnc(CSc2ccc(Cl)cc2)n1CCS(=O)(=O)NC 1705602185 LGIHKUOKDWGEDO-UHFFFAOYSA-N 452.005 2.236 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CC(C)(C)N2CCC(OC)CC2)CC1 1705650578 VBIQUBDMMXADML-UHFFFAOYSA-N 493.656 2.119 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCCO2)CC1 1705650955 DYBLAJXSRAGXAX-JOCHJYFZSA-N 462.554 2.264 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H](C)OC)CC1 1705652991 VPWSURSDRGNYBH-QRQLOZEOSA-N 474.606 2.050 30 10 JEEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2ccc(F)cc2)C1 1705731622 YXNFXEBZQYJZBB-VQIMIIECSA-N 467.567 2.198 30 10 JEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)c2cccc(C)c2)CC1 1705736684 ZUDLOQLKRHRMLF-OAQYLSRUSA-N 466.586 2.483 30 10 JEEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(C)Cc1ccc(OC)c(C)c1 1705901533 OILGDWDNDATYCK-UHFFFAOYSA-N 452.515 2.261 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H]2CCC[C@H]21 1705931548 SOTTZXJYMQZIBN-FXAWDEMLSA-N 493.655 2.175 30 10 JEEE C=CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1705944912 WSEWVXAPPUYQKK-UHFFFAOYSA-N 467.599 2.310 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ccccc1Cl 1706746994 HCAIJLMEIOFBFE-YJBOKZPZSA-N 482.994 2.082 30 10 JEEE Cc1cc([C@](C)(O)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(CC#N)CC2)c(C)o1 1707042380 GSLYAGFFJIIXNN-YCRPNKLZSA-N 464.592 2.136 30 10 JEEE N#Cc1ccc(-c2nnc(N3CCCN(CC(F)(F)F)CC3)n2CC(=O)NCC(F)F)cc1 1712879515 DDISKBSZQIQNLD-UHFFFAOYSA-N 471.434 2.272 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H](C)Oc1ccccc1C)[C@@H]1CCS(=O)(=O)C1 1722359981 BTIQILMOMJXLLK-RBUKOAKNSA-N 466.567 2.138 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@]2(O)CCCC2(C)C)CC1 1722440460 HHPQWELJGFKYPN-VWLOTQADSA-N 472.634 2.104 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CC(C)(C)N2C[C@@H](C)O[C@H](C)C2)CC1 1722449797 ZPBRUFRBEJYZHX-NHCUHLMSSA-N 493.656 2.118 30 10 JEEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](c2nnc3n2CCC3)C1 1722601972 YLMUEABZKQUUQI-SJORKVTESA-N 462.624 2.166 30 10 JEEE C=CCN(CCOC)c1nnc(-c2cccc(Br)c2)n1CC1(O)CCS(=O)(=O)CC1 1722678977 JWHAMQBIUYFJSY-UHFFFAOYSA-N 499.431 2.286 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1722728465 WJJZUMLGCMWGHJ-UHFFFAOYSA-N 464.680 2.141 30 10 JEEE CC(=O)NC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCCC2(C)C)CCO1 1722847396 BIGZSVNEFGYVQY-BWKNWUBXSA-N 482.585 2.011 30 10 JEEE COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2CN(C(=O)OC(C)(C)C)C2)CCO1 1730607384 AVLFCJAGDKPHKT-OAQYLSRUSA-N 498.584 2.447 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCCN1CCC[C@@H]1CO 1740550863 RNDQAQKDWMLLBZ-HBMCJLEFSA-N 490.649 2.281 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCc1c[nH]c2c(CC)cccc12)[C@H]1CCS(=O)(=O)C1 1740616042 QTIGMEWATIXYHQ-FQEVSTJZSA-N 496.637 2.329 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(C#N)cc2)n1CCCN1CCN(c2ccncc2)CC1 1740633221 ABLFEBQROMRITQ-UHFFFAOYSA-N 464.577 2.497 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2CCC(F)(F)C2)n1 1740688091 AEALYQBHCHISGD-FUHWJXTLSA-N 461.517 2.147 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](C)N2CCC(C)CC2)CC1 1740707374 ZQSXNLCHQPEADD-OAQYLSRUSA-N 463.630 2.350 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N1CCOCC1 1740923567 PEXYFDYFZTYNRN-QZTJIDSGSA-N 465.645 2.155 30 10 JEEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@@](C)(OC)CC1 1740952917 QTKRCWMYWRBTQN-HSZRJFAPSA-N 489.646 2.244 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CCCN(C(C)=O)CC1 1740954658 QNRRHXRSGXCNGD-UHFFFAOYSA-N 461.364 2.068 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CC[C@](C)(N2CCOCC2)C1 1740955658 BRQAIBRURWQVCA-QFIPXVFZSA-N 489.418 2.311 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@H](C)CCSC 1740959214 NUKCQCMVGFVFLA-OAHLLOKOSA-N 455.588 2.072 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 1740965670 KSCFCJBLAABPQQ-UYAOXDASSA-N 486.577 2.445 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCN2CCOC[C@H]2C)C1 1740973886 GQUSQRDBKRJCEO-QUCCMNQESA-N 457.575 2.464 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1Cc2cccc(Br)c2C1 1740991336 UHICCWZGDWMLFB-INIZCTEOSA-N 480.388 2.113 30 10 JEEE C=CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1740999969 KJVMLHLBIDOGCD-INIZCTEOSA-N 488.639 2.125 30 10 JEEE CC(C)Cc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CC1(S(C)(=O)=O)CC1 1741479419 AEULTYJOGYMDAT-UHFFFAOYSA-N 456.616 2.248 30 10 JEEE Cc1cc(C)cc(OCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)c1 1742114651 GPLXEFVURZLQCU-UZLBHIALSA-N 450.540 2.026 30 10 JEEE Cc1nn(C)c(N2CCN(c3nnc([C@H]4CCOC4)n3C[C@@](C)(O)CCC(C)C)CC2)c1C#N 1742668988 HMCXGIVFIMKHKE-CYFREDJKSA-N 470.622 2.209 30 10 JEEE CN(C)C(=O)CCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC[C@@](C)(C#N)C1 1747538117 GKNMXCMDAKMWDY-SANMLTNESA-N 478.645 2.251 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1ccc(OCC)cc1)[C@@H]1CCS(=O)(=O)C1 1748817367 JPCGEZIASPHORA-WOJBJXKFSA-N 458.584 2.246 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCn1cc([C@@H]2CCOC2)cn1 1748825359 VGFSJBXVVFOJJX-HXUWFJFHSA-N 491.983 2.335 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2Cc2cnn(CCOC)c2)CC1 1748977382 HNYKHYQEQZEZEW-IBGZPJMESA-N 467.549 2.204 30 10 JEEE C#CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(CC(C)C)CC1 1749032582 MJIYERSFKBWDKD-UHFFFAOYSA-N 475.688 2.383 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCC(=O)N[C@H](C)CC 1749064783 JWXXSSUELOWCLJ-CRICUBBOSA-N 461.570 2.489 30 10 JEEE C=CC1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccc(OCC(=O)N(C)C)c2)CC1 1749323593 HOYVIMQSNYBKDB-UHFFFAOYSA-N 454.575 2.334 30 10 JEEE C=CC1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@]2(C)CN(C)C2=O)CC1 1749331384 IREVUDOMPGDVFR-HSZRJFAPSA-N 472.615 2.076 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2(OC)CCCCC2)CC1 1749342880 RADZEDFOFJHZKX-IBGZPJMESA-N 467.636 2.363 30 10 JEEE COC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](C(F)(F)F)C1)OC 1749343571 BJOCSNHOYJMYHL-IAGOWNOFSA-N 455.437 2.158 30 10 JEEE COC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](C(F)(F)F)C1)OC 1749343573 BJOCSNHOYJMYHL-SJORKVTESA-N 455.437 2.158 30 10 JEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2ccc(OC)cc2)CCC1 1749488862 NVOOIFCPKQABAB-HXUWFJFHSA-N 475.615 2.364 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1749531733 MSWDDWMRCIJHMX-ZGKFLROHSA-N 473.537 2.373 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 1749721921 WOHQLAFSQOAHGN-KRWDZBQOSA-N 463.579 2.380 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1749730805 RDLVISXWRNVIEC-KRWDZBQOSA-N 491.618 2.029 30 10 JEEE COCCN(CCC#N)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@]1(O)CCC[C@@H]1C 1749828381 ACLZXFBUBCKUBC-BXKMTCNYSA-N 465.558 2.110 30 10 JEEE C[C@@H](Cc1cccs1)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1751112176 CASXCGOQNVVUIT-QFBILLFUSA-N 478.644 2.291 30 10 JEEE CC(C)N(C)CCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1751234546 CAQFRRSXVYVZFH-NQIIRXRSSA-N 489.646 2.068 30 10 JEEE C[C@H]1CCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1 1752113294 GEORGUPDLJPNKM-ICSRJNTNSA-N 452.559 2.460 30 10 JEEE C#CCCCCn1c(N2CCS(=O)(=O)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1760143424 GJWKUMINJMIPSJ-CALCHBBNSA-N 451.593 2.087 30 10 JEEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCN(C(=O)C2CC2)CC1 1760155488 ZPVZTGRVSOAKOD-FQEVSTJZSA-N 486.617 2.449 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@H](OC)C(C)C)[C@H]1CCS(=O)(=O)C1 1760183380 BCATUPWLQIORDF-UWJYYQICSA-N 476.599 2.260 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1CC1(O)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1760185458 XNTIGOYWVORWHQ-GOSISDBHSA-N 488.610 2.284 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H]1CCN(CC)C1 1760247873 SXPVDWUBFNRDMJ-IBGZPJMESA-N 463.586 2.103 30 10 JEEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1ccc(O)cc1 1760281359 MRTOMXCEWJODIZ-VQTJNVASSA-N 491.639 2.025 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1c2ccccc2C[C@H]1C 1760337873 XLSNPXMZKPSVEQ-KNQAVFIVSA-N 488.658 2.465 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](OC)c2ccccc2)CC1 1760402856 WUSLNQNBGAIRBH-NHCUHLMSSA-N 475.615 2.401 30 10 JEEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(N2CCCCC2)CC1 1760428550 YLORLLZQTQGSBY-OAQYLSRUSA-N 480.679 2.422 30 10 JEEE C=CCCCCn1c(N2CCN(S(C)(=O)=O)[C@@H](C)C2)nnc1[C@]1(OC(C)C)CCOC1 1760430197 BOEGZZNNHCCKSS-RXVVDRJESA-N 455.625 2.145 30 10 JEEE C=CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1760506116 ITVFSYXTOYNUJA-FQEVSTJZSA-N 451.575 2.076 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCCN(C(=O)C(C)C)CC1 1760554386 CEHWPYNOXCMTNE-UHFFFAOYSA-N 495.596 2.443 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1CCNC(=O)c1ccco1 1761219337 FKESFFJRSSWJGW-UHFFFAOYSA-N 491.552 2.359 30 10 JEEE C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1)N(C)C(=O)OC(C)(C)C 1761396019 HSMPDKXBILVJJI-APWZRJJASA-N 480.573 2.286 30 10 JEEE C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCN(CC(F)(F)F)C1 1763034171 BZTNKIQVFQZAQV-WBVHZDCISA-N 461.492 2.368 30 10 JEEE CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCN2CCCO)C[C@H]1C 1765538019 HDNNFQMZUGSFBT-IFMALSPDSA-N 467.618 2.106 30 10 JEEE CN(C)S(=O)(=O)CCn1c(N2CCCN(Cc3ccc(C#N)cc3)CC2)nnc1C(C)(C)C 1768527549 GHCJCZLACVVOPA-UHFFFAOYSA-N 473.647 2.051 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1772660457 YSQZPXPMEQSOOV-SFHVURJKSA-N 486.598 2.291 30 10 JEEE COc1cccc(Cc2nnc(N3CCN([C@H](C)C(=O)Nc4ccc(C#N)cc4)CC3)nc2O)c1 1859429594 IBPUNDGOZJFNJJ-QGZVFWFLSA-N 473.537 2.197 30 10 JEEE C=CCNC(=O)[C@@H]1C[C@H](O)CN1C(=O)c1ccc2nc(-c3cccc(OC)c3OC)[nH]c2c1 1861401099 QXIJTLAYKZDUQP-KXBFYZLASA-N 450.495 2.125 30 10 JEEE CCOc1cc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCN2CCOCC2)ccc1O 1862595595 HVCRIYBFUYRLJZ-QFIPXVFZSA-N 468.506 2.407 30 10 JEEE C[C@H](NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(=O)N1CCN(c2ccccn2)CC1 1868782516 JTUHJCMWNZZBSX-AZUAARDMSA-N 466.611 2.273 30 10 JEEE CC(C)N1C[C@H](c2nnc(SCC(=O)NCc3ccco3)n2/N=C/c2ccco2)CC1=O 1874333850 ZOOUBMKHABMFDL-QHBIDGPYSA-N 456.528 2.479 30 10 JEEE CN(CC1CN(C(=O)OCc2ccccc2)C1)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2255815034 HPEKRHHIRDUSAU-UHFFFAOYSA-N 468.363 2.060 30 10 JEEE CC(C)(C)OC(=O)N1CCS[C@H](C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)C1 2256677103 ACNSEONKMNRHOE-AWEZNQCLSA-N 469.438 2.411 30 10 JEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@]1(CO)CCN(C(=O)OC(C)(C)C)C1 2267124032 YLRALTWAMDUCCZ-QFIPXVFZSA-N 466.409 2.457 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H]1CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2267352091 IJWVWNUKSDDOQC-OAHLLOKOSA-N 470.372 2.413 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)CCCO1 2267555822 AACWHXBJNYKAPE-OAHLLOKOSA-N 450.341 2.335 30 10 JEEE CN(Cc1csc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)[C@@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C 2268656116 SUOUQMNJSGANAB-CVEARBPZSA-N 466.409 2.376 30 10 JEEE Cc1c(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]3C[C@H]23)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281798660 KUFGXZXDINBHSV-BZUAXINKSA-N 460.384 2.155 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@]2(CCNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2281928181 KDZFXWQCMIRORP-NPMXOYFQSA-N 460.384 2.476 30 10 JEEE Cc1nn(C)c(C(=O)N[C@H]2[C@@H]3[C@@H]2CCCN3C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2281982305 MEDBCHSJDBOIET-OIISXLGYSA-N 460.384 2.155 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1NC(=O)c1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1F 2282088405 MABQUJYWZSRQKH-DLBZAZTESA-N 468.306 2.286 30 10 JEEE Cc1c(B2OC(C)(C)C(C)(C)O2)cccc1C(=O)N1C[C@@H](NC(=O)OC(C)(C)C)C[C@@H](O)C1 2282110883 RNKFAWMGAUVCKZ-DLBZAZTESA-N 460.380 2.394 30 10 JEEE Cc1cc(S(=O)(=O)NC2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)ccc1B1OC(C)(C)C(C)(C)O1 2282326779 XVLIQIAKSJNBBB-IAGOWNOFSA-N 478.420 2.438 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cccc(F)c2B2OC(C)(C)C(C)(C)O2)C1 2282411162 FIFNPHMAROWDHC-PBHICJAKSA-N 464.343 2.083 30 10 JEEE Cn1ncc(C(=O)NC[C@H]2C[C@H]3CC[C@H]2N3C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2282572545 MVWGUDKPZFETFD-BFYDXBDKSA-N 460.384 2.237 30 10 JEEE CC(C)(C)OC(=O)NC[C@]12CC[C@@H]1CN(C(=O)c1ncc(B3OC(C)(C)C(C)(C)O3)cn1)C2 2282613775 DHBVPUUCVIWCFK-CMJOXMDJSA-N 458.368 2.153 30 10 JEEE CC1(C)OB(c2ccc(C(=O)N3[C@H]4CC[C@H]3CN(C(=O)C(F)(F)F)C4)c(O)c2)OC1(C)C 2282807687 KNOAFJWFTCBPEA-KBPBESRZSA-N 454.254 2.069 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@]2(CNC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2283057434 UMPHGNSKKREENE-NPMXOYFQSA-N 458.368 2.153 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N2Cc3ccc(B4OC(C)(C)C(C)(C)O4)cc3C2)C1 2283951270 VFSRKOZCDQEXKL-IBGZPJMESA-N 458.364 2.464 30 10 JEEE C[C@@H](NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCN1C)c1nscc1B1OC(C)(C)C(C)(C)O1 2283960891 CNHZJQIOFTWRDX-GDBMZVCRSA-N 480.440 2.171 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1C(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)ccc1F 2284026323 BUGACLBXYIRJTJ-FUHWJXTLSA-N 464.343 2.281 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2CCc3cccc(B4OC(C)(C)C(C)(C)O4)c32)C1 2284147878 OULUXCLXFQVZMV-XMMPIXPASA-N 458.364 2.247 30 10 JEEE CC(C)(C)OC(=O)NC[C@@]12C[C@@H]1CN(S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1)C2 2288266527 LJJLCQHOXIUGAL-SPLOXXLWSA-N 499.464 2.119 30 10 JEEE CN(CCOCCNC(=O)OC(C)(C)C)C(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2315683346 GFGHTSNJOWQEKV-UHFFFAOYSA-N 455.386 2.056 30 10 JEEE CC1(C)OB(c2cscc2S(=O)(=O)N[C@H](CCO)COCc2ccccc2)OC1(C)C 2320504572 XQCQAOZLRFZUPW-QGZVFWFLSA-N 467.418 2.293 30 10 JEEE C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2scc(B3OC(C)(C)C(C)(C)O3)c2C1 2336501106 IPNQCAUAUNUQTF-CXAGYDPISA-N 466.409 2.206 30 10 JEEE CO[C@@H](CNC(=O)OC(C)(C)C)CNC(=O)c1cc(F)ccc1B1OC(C)(C)C(C)(C)O1 2339878686 NNGRUMQVMKLXNJ-OAHLLOKOSA-N 452.332 2.394 30 10 JEEE COC[C@]1(C(=O)N2CC[C@@H](B3OC(C)(C)C(C)(C)O3)C2)CN(C(=O)OC(C)(C)C)CCO1 2342564201 HIRHTIPHHUPZHL-ZHRRBRCNSA-N 454.373 2.334 30 10 JEEE C[C@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)C[C@@H](C)N(C(=O)OC(C)(C)C)C1 2362354875 WWAMVWHZROYOTE-JKSUJKDBSA-N 462.400 2.437 30 10 JEEE COc1ccc(NC(=O)[C@@H]2COC[C@@H]2NC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2365286127 FQJRJZHLYHWKSF-WBVHZDCISA-N 462.352 2.473 30 10 JEEE Cc1ccsc1/C=c1\s/c(=C(/C#N)C(=O)NC[C@@H]2CCCO2)n(-c2ccc(F)cc2)c1=O 3351088 YGRNGWICMQCTFF-ZMVGCNPVSA-N 469.563 2.206 30 10 JEEE Cc1ccc(/C=N/Nc2nnc(SCCC(=O)NCc3ccc4c(c3)OCO4)n2N)cc1 20918119 ZNKVMTGKPKNMAB-WYMPLXKRSA-N 453.528 2.274 30 10 JEEE CC(=O)OC[C@H](OC(C)=O)[C@H](OC(C)=O)C1=NN(c2ccccc2)C(=O)/C1=N/Nc1ccccc1 101570593 ZTIAHQDUMNWAFM-BUWCHSMZSA-N 480.477 2.284 30 10 JEEE COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccncc2)cc1OC 103102740 GKQKCDBZFAWSIF-RKKARLDVSA-N 467.522 2.243 30 10 JEEE CON[N+](=O)CC(=O)N1CCN(S(=O)(=O)c2ccccc2)[C@H]1c1ccc(Cl)cc1Cl 585088852 BODVFROFEULMMS-SFHVURJKSA-N 474.346 2.370 30 10 JEEE C#CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCN(C)[C@H](C(=O)O)C1 757313054 RYNXATSBNYMWCU-PKTZIBPZSA-N 461.518 2.144 30 10 JEEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)C1=NN(c2ccc(F)cc2)[C@@H](C(N)=O)C1 913199389 CKFBDDCNGOXNRM-FOIQADDNSA-N 481.484 2.133 30 10 JEEE Cc1nn(C(C)C)c(C)c1C=NNc1nnc(SCC(=O)Nc2cccc([N+](=O)[O-])c2)n1N 1084063313 DSORJBZLRMNPOK-UHFFFAOYSA-N 472.535 2.471 30 10 JEEE COc1ccc(NC(=O)CSc2nnc(NN=Cc3cc(OC)c(OC)c(OC)c3)n2N)cc1 1084217033 PXUROADPHPAWKL-UHFFFAOYSA-N 487.542 2.203 30 10 JEEE C=CCS(=O)(=O)CCNC(=O)c1ccc2c(=O)n(CCc3ccccc3)c(S)nc2c1 1137751919 JDPDUSBMMNPQBS-UHFFFAOYSA-N 457.577 2.259 30 10 JEEE C#CCN(C(=O)NCC1(OCCOC)CCOCC1)C1CCN(C(=O)OC(C)(C)C)CC1 1228691055 JXHRUVNTSWBPPZ-UHFFFAOYSA-N 453.580 2.243 30 10 JEEE Cn1cc([C@@H]2CN(C(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC23CCOCC3)cn1 1233850791 DIFIXCMBRPBKRX-WDSOQIARSA-N 458.563 2.085 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCN1CCOC[C@H]1C 1286290596 TXEOAAAGWNAJBF-RTBURBONSA-N 463.586 2.244 30 10 JEEE C#CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCS(=O)(=O)CC1 1286348719 YUIIHOJKNPOPBU-QGZVFWFLSA-N 451.593 2.041 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCN1CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1286387600 GQNBYZHRMBLYTJ-FUHWJXTLSA-N 463.007 2.105 30 10 JEEE C#CCN(c1nnc(-c2ccccc2)n1CCC(=O)NC1CCCCC1)[C@H]1CCS(=O)(=O)C1 1286387945 XBWYPTYQCVSKNP-NRFANRHFSA-N 469.611 2.411 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@H](C)c1nccs1)[C@@H]1CCS(=O)(=O)C1 1286395959 UQLGBVMTUMZRLD-FUHWJXTLSA-N 456.597 2.151 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1(S(C)(=O)=O)CCC1 1286470203 RNMRTJDWRVKZHE-HDICACEKSA-N 495.646 2.102 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@H](C(C)C)N2CCOCC2)CC1 1286487954 SVWVYVMFMGLXMN-DEOSSOPVSA-N 494.640 2.276 30 10 JEEE C#CCSCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCN(C(C)=O)C[C@@H]1C 1286505166 VXOIMJGIIQRFPR-SFHVURJKSA-N 493.637 2.488 30 10 JEEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1286608278 PDAQZYGAIWIBPR-ZWKOTPCHSA-N 489.589 2.075 30 10 JEEE C=CCC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1286674555 GOVGSSHBCGSYNM-GOSISDBHSA-N 466.594 2.274 30 10 JEEE C=CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1286691250 XJUYCYPLCWCTNH-HXUWFJFHSA-N 454.579 2.263 30 10 JEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](COCCOC)C1 1286776150 GDHDWZRKQSZVCD-ROUUACIJSA-N 451.568 2.262 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCc2cnc3c(Cl)cnn3c2)C1 1286799276 URONLARSMCJHNL-MRXNPFEDSA-N 458.954 2.136 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCc2ccccc2CC1 1286814366 QTJKPFKGDWBKLM-UHFFFAOYSA-N 466.567 2.131 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCCc2ccccc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1286821745 AAVJPOVSBNUDQC-HSZRJFAPSA-N 492.667 2.069 30 10 JEEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCC(CC#N)CC1 1286822255 BQEDWJIYBYXMKA-UHFFFAOYSA-N 462.601 2.000 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CC(=C)Br)c1 1300331890 TVYGRDZXKZZDIQ-UHFFFAOYSA-N 459.348 2.381 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cn3nc(C)cc3C)n2C[C@]2(C)COCCO2)c1 1300336759 NHBGNSHPWILSPK-RUZDIDTESA-N 477.569 2.001 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCOc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1300495494 IBVRMRKZJHFCHU-PKOBYXMFSA-N 462.547 2.017 30 10 JEEE C#CCN(c1nnc(CC2CCCC2)n1Cc1cccnc1OCC)[C@H]1CCS(=O)(=O)C1 1300502995 ZNBZFFYDLBDTEZ-FQEVSTJZSA-N 457.600 2.480 30 10 JEEE C#CCN(c1nnc(COCC)n1CC[C@H]1CCOc2ccccc21)[C@H]1CCS(=O)(=O)C1 1300504887 VHSSENSXALIGBK-OALUTQOASA-N 458.584 2.398 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CCCN1CCCCC1=O 1300665298 YVNSKGPQDYLAFB-UHFFFAOYSA-N 463.542 2.083 30 10 JEEE C=C(C)COCCn1c(N2CCS(=O)(=O)C3(CCCCC3)C2)nnc1[C@]1(OCC)CCOC1 1301002191 WITLWMHSOZEZER-QHCPKHFHSA-N 482.647 2.461 30 10 JEEE C=CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1(S(C)(=O)=O)CCC1 1301267798 AVOFGNRPIIZQNY-UHFFFAOYSA-N 451.980 2.451 30 10 JEEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2cccc(Br)c2)C1 1301429187 IXMHLYUGJQAXRM-CJNGLKHVSA-N 470.393 2.415 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCNC(=O)C2CC2)C1 1301534643 CUGZLDKBSREPPF-FQEVSTJZSA-N 452.559 2.455 30 10 JEEE C#CCNC(=O)C1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(I)c2)CC1 1310711445 OLQCYDYXPRRURH-UHFFFAOYSA-N 456.240 2.193 30 10 JEEE C#CCSCC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N1CCN(CC)CC1 1348583674 SZVLZWYRBRLEPN-UHFFFAOYSA-N 452.646 2.164 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC1(CS(C)(=O)=O)CC1 1358876983 USVLZJHMTJNKTP-OAHLLOKOSA-N 462.572 2.254 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1sccc1Br)[C@H]1CCS(=O)(=O)C1 1358963645 LQRXGJSYORWUDI-KGLIPLIRSA-N 485.429 2.281 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1CCCN1CCN(c2ccccc2)CC1)[C@H]1CCS(=O)(=O)C1 1358964354 XROKSPFXBGYGAD-DEOSSOPVSA-N 498.697 2.316 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@](C)(O)[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1358966139 IODYPUSVTSGFGR-WXVUKLJWSA-N 485.610 2.153 30 10 JEEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CCCN1CCCO[C@@H](C)C1 1358985738 GMWFUHYMZPOXIU-DHLKQENFSA-N 457.619 2.283 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1C[C@@H](c1ccc(C)cc1)N1CCOCC1 1359022623 GYCKRMMWCGZADK-QHCPKHFHSA-N 461.570 2.203 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CC(C)(C)CN2CCCC2)CC1 1359046412 QROALNSNBFNXJS-UHFFFAOYSA-N 463.630 2.352 30 10 JEEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)Cc2cccc(OC)c2)CC1 1359289316 UZAFPVYSVXZHAM-UHFFFAOYSA-N 480.594 2.356 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1359295676 KLBRMUMHYQITHT-SFHVURJKSA-N 489.020 2.458 30 10 JEEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCc2oncc2C1 1359300949 NNMGHGRQUSNWRL-UHFFFAOYSA-N 471.562 2.246 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H]2CCS(=O)(=O)C2)C1 1359317304 GIPORKLLSSLTSH-SJLPKXTDSA-N 462.572 2.178 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(CC#N)CC1 1359329541 LYMWICBDOINIIO-UHFFFAOYSA-N 457.556 2.447 30 10 JEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H]1c1ccc(CC)o1 1359334661 NGPZGPGLWYQWCH-GOSISDBHSA-N 461.588 2.498 30 10 JEEE CC(C)NC(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1360268223 AQMZBCJAACWHQW-SFHVURJKSA-N 491.575 2.299 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@H](c1cccc(F)c1)N(C)C 1360692832 AFCBNFLJAUJLBD-NBCNXNJRSA-N 477.610 2.460 30 10 JEEE C[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)Nc3ccccc3-n3cnc(C#N)n3)n(C)c2)C1 1436595695 CJTPYJNKLHOYKV-OAHLLOKOSA-N 453.528 2.150 30 10 JEEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1503254129 FAOQBXLCRPRIFL-LJQANCHMSA-N 472.615 2.383 30 10 JEEE COc1cccc(O[C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)c1 1504363009 GRFMBBSOCLAPDN-HZPDHXFCSA-N 462.576 2.104 30 10 JEEE COCC[C@@](C)(O)Cn1c(COc2ccccc2F)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1504761300 FQHFUPRXFJZOIE-RUZDIDTESA-N 495.559 2.377 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)[C@H](C)[C@H](C)O2 1507710530 HPTZWPAEUUMQJU-ZIFCJYIRSA-N 458.584 2.199 30 10 JEEE C=C(Br)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1507789835 NCWMQDBEGXMPEO-NWDGAFQWSA-N 468.333 2.292 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CCOCC)CC1 1507803238 FIWVGFKQSBUIDO-FPOVZHCZSA-N 469.590 2.065 30 10 JEEE C=C(Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCNC(=O)C1)c1ccccc1 1507851333 LPXRNRDHFSOCSB-IBGZPJMESA-N 468.558 2.236 30 10 JEEE C=CCCOCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCCN(CC)C(=O)C1 1507961804 GWXZXNZEFYGQEB-UHFFFAOYSA-N 479.585 2.326 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1508072743 KEECUDOVQRGGDE-DLBZAZTESA-N 471.558 2.136 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCO[C@@]2(CCOC2)C1 1508136552 SUGKRFKIFKWEPV-VGSWGCGISA-N 480.562 2.154 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(OC)cc2)nnc1N1CCN2CCCC[C@H]2C1 1508149431 VBFDIBQDZWBCLB-IBGZPJMESA-N 475.615 2.141 30 10 JEEE C=CCSCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1508150702 HMKHFWUROWAUEN-UHFFFAOYSA-N 475.018 2.445 30 10 JEEE CC(=O)c1cc(C#N)ccc1NC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O 1521710912 CLJPRSSRCJBPON-INIZCTEOSA-N 453.476 2.337 30 10 JEEE C#CCN(c1nnc(CCCc2ccccc2)n1CC1=CCCOC1)[C@H]1CCS(=O)(=O)C1 1539231027 SFHCNECDAZUHQT-QFIPXVFZSA-N 454.596 2.427 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1ccc(OC(C)C)nc1 1539258167 RWGZGHISNPVJFR-UHFFFAOYSA-N 467.533 2.495 30 10 JEEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCc1cccc(C)n1 1539409030 MCQKGWKPHPTNBT-UHFFFAOYSA-N 467.599 2.270 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2CC2CCN(C(C)=O)CC2)CC1 1539487954 BXZXZGQXXRWEHJ-UHFFFAOYSA-N 492.624 2.390 30 10 JEEE C#CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(c2cnn(C)c2)CC1 1539492099 ZMLMUQNZGKBHOK-UHFFFAOYSA-N 499.044 2.288 30 10 JEEE C=C(Cl)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@]2(CCOC2)C1 1539803820 NZGILZFPCGPXPO-IERDGZPVSA-N 469.970 2.335 30 10 JEEE C=CCCCCCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCCS1(=O)=O 1539945577 QTZPLERFTABNOD-QZTJIDSGSA-N 458.650 2.330 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(=Cc2cccc(OC)c2)CC1 1540871450 MBYPGVOOJOOAAA-HXUWFJFHSA-N 485.610 2.175 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CC[C@](O)(Cc2cccc(Cl)c2)C1 1540901898 UDJZYUGDZGUQMW-QFIPXVFZSA-N 491.017 2.117 30 10 JEEE C[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1)N(C)C 1541866057 BZMCELGDGWFWIS-HOYKHHGWSA-N 464.574 2.164 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(N2CCC[C@](C)(C#N)C2)n1CCNS(C)(=O)=O 1541991582 DWESMYJAYBQADI-HRAATJIYSA-N 481.623 2.029 30 10 JEEE C#CCCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1587712172 OFIUWXMXZYHGKM-XMMPIXPASA-N 453.543 2.491 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@H](SC)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1588029394 HFKFEHYOHPKEFK-SJORKVTESA-N 490.655 2.330 30 10 JEEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 1588035666 WQTNLOJWESRYAV-DENIHFKCSA-N 479.002 2.259 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccccc1)N1CCCC1 1588139123 MFAOKCZHRQMTDB-VXKWHMMOSA-N 451.596 2.090 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1CC1(OCCOC)CCOCC1 1588139574 PJCVODMLTNFCMD-JOCHJYFZSA-N 466.538 2.076 30 10 JEEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCN1CCC[C@@H]1C 1588158417 ALPSZTAEJWWAOH-DEOSSOPVSA-N 459.642 2.200 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC(=O)NCC(F)F 1588259136 SCSXJSHRXJHLGP-INIZCTEOSA-N 464.517 2.194 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Sc1ccccc1 1588384931 DJFOFRQOGXXVEN-MJGOQNOKSA-N 463.629 2.251 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(N(C)C)CCOCC1 1588550787 XVLJHPFWIWLYSX-HXUWFJFHSA-N 489.617 2.070 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@H]2CCS(=O)(=O)C2)CC1 1588761795 AYNJGUYXYSJUFO-OAHLLOKOSA-N 496.406 2.037 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC2(O)CCC2)CC1 1588890532 BJYJYTBYZOVWJI-KRWDZBQOSA-N 455.534 2.438 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@@H](CC(C)C)NC(=O)OCC)CC1 1588913345 HTYLVLACNWNNCI-OAQYLSRUSA-N 481.601 2.467 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(OC)c(OC(F)F)c2)CC1 1588929596 DLDUZKRQTIKAFE-SFHVURJKSA-N 489.523 2.406 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(S(C)(=O)=O)cc2)C1 1595745142 QDAUXSUYXQRPLR-FQEVSTJZSA-N 470.599 2.373 30 10 JEEE Cc1noc(C[C@@H]2CCCN(C(=O)[C@@H](CC(C)C)/N=C3/NS(=O)(=O)c4ccccc43)C2)n1 1598170503 BENKTDRTGATPJE-FUHWJXTLSA-N 459.572 2.313 30 10 JEEE COc1cc(OC)c2c(c1Cl)O[C@@]1(C(=O)/C(=C/NCc3nc(C)no3)C(=O)C[C@@H]1C)C2=O 1615248226 CVSFOBMRIQXYSW-HNUPLXINSA-N 461.858 2.214 30 10 JEEE C#CC[C@@]1(C(=O)NCc2ccc([C@@]3(C)NC(=O)NC3=O)cc2)CCCN1C(=O)OC(C)(C)C 1627687980 HBMRMSHIKZUHLF-RPWUZVMVSA-N 454.527 2.150 30 10 JEEE N#Cc1ccc(CN2CC[C@H](NC(=O)N[C@@H]3CCN(c4ccc(Cl)cc4)C3=O)C2=O)cc1 1632032585 BUJDNPHPVMZGNW-VQTJNVASSA-N 451.914 2.417 30 10 JEEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cc(C(=O)OCC)c(Cl)cc2F)n1 1663733997 IFYBTNBHNRJLLU-UHFFFAOYSA-N 457.911 2.323 30 10 JEEE C#CCN(C(=O)NC[C@H](C(=O)OCc1ccccc1)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1680235639 ZDCLCPQRVOSQAJ-VXKWHMMOSA-N 454.548 2.346 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CC[C@@H](OC)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1689984346 NUNTXRQINXPXHA-QZTJIDSGSA-N 481.500 2.411 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccsc1Br)[C@H]1CCS(=O)(=O)C1 1689988639 SYBBXYNDABBMEC-HNNXBMFYSA-N 495.428 2.178 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC1(S(C)(=O)=O)CCC1 1690013363 LNZRQKLZOHZBMU-UHFFFAOYSA-N 492.605 2.276 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CC12CCOCC2 1690037047 KEGUUHCFFQKNAU-NRFANRHFSA-N 481.622 2.475 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCCS(C)(=O)=O 1690072870 XIFYQZCKINSVIR-UHFFFAOYSA-N 456.572 2.130 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCCO2)n1C[C@H](C)N1CCN(c2ccccc2)CC1 1690108410 YBGCOLPCRAXHDR-JTHBVZDNSA-N 452.603 2.426 30 10 JEEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1690172691 LTLXCILGZKFFJP-KRWDZBQOSA-N 458.588 2.234 30 10 JEEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)Cc1cc(Cl)ccn1 1690671441 WBDRMSNVYJVJEI-UHFFFAOYSA-N 481.992 2.439 30 10 JEEE C[C@@H]1OCC[C@@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1693870619 FIPUDWQLLVTJHJ-TVVUZDRGSA-N 468.558 2.460 30 10 JEEE CC[C@@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CC1(S(C)(=O)=O)CCC1 1694125602 DZHUPSQWRKOOBK-SJORKVTESA-N 472.619 2.136 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1cccc(CN(CC)CC)c1)[C@@H]1CCS(=O)(=O)C1 1705565227 HGKKPPQOPDHJNN-DHIUTWEWSA-N 485.654 2.299 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1ccncc1)[C@H]1CCS(=O)(=O)C1 1705572346 YFHXFPHFVPTHEL-PWRODBHTSA-N 471.627 2.461 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CCNC(=O)c2ccccc2F)CC1 1705648255 UIHHGCWUSUGFGX-UHFFFAOYSA-N 489.555 2.183 30 10 JEEE C#CCSCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@@H](C(=O)OC)C1 1705656351 ZMBCGGUQBNTLSM-OAHLLOKOSA-N 460.556 2.337 30 10 JEEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1705686946 PVQWMIPGGNMHPL-DOTOQJQBSA-N 450.385 2.134 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CCN1CCOCC1 1705709917 SZLRJCFTSYTSSH-ZJSXRUAMSA-N 466.586 2.478 30 10 JEEE C=C(Cl)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 1705750498 FHGORXKUPNYECM-IBGZPJMESA-N 479.006 2.446 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CC(C)(C)C(=O)NCC)C1 1705925601 RIQWVBKMEBYTFV-FQEVSTJZSA-N 482.633 2.396 30 10 JEEE Cc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)C[C@H](C)C#N)c(O[C@@H]2CCOC2)c1 1707492305 GUMZMUYQJFSCLT-ZIFCJYIRSA-N 476.603 2.009 30 10 JEEE CCn1cc(CN(C)c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(OC)CCOC2)cn1 1710182998 FGZJANSBESFZKU-HSZRJFAPSA-N 451.531 2.387 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCCS(=O)(=O)Cc1ccccc1 1722283833 JTKAJIVSEWOXFR-GOSISDBHSA-N 466.567 2.388 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@]1(O)CCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1722358675 FBOSZWGXPHMQMR-LYHRCORUSA-N 458.584 2.132 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@]1(C)CN(C)C1=O)[C@@H]1CCS(=O)(=O)C1 1722364640 MEBJTPURFXLKKZ-DFIYOIEZSA-N 499.637 2.140 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@](C)(O)[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1722365620 NFCWFEHUQBHEAV-GWJPWWOOSA-N 462.591 2.432 30 10 JEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1Cc1ccoc1)[C@@H]1CCS(=O)(=O)C1 1722372141 QGIMUNZLYZSAMD-HXUWFJFHSA-N 454.552 2.340 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCN(C)CC(F)(F)F 1722380045 BBRVMDMGFFLIPU-UHFFFAOYSA-N 471.487 2.149 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCN1CCN(CC)CC1 1722388014 NSXZDSNWCSJQCC-QFIPXVFZSA-N 483.661 2.451 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)c1ccco1 1722421211 KSTNWAJLKXSNRB-MBSDFSHPSA-N 472.542 2.460 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCN1CCCS1(=O)=O 1722422177 WMCUMGDPHOMUPF-QGZVFWFLSA-N 477.656 2.253 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CCCN2CCC(O)CC2)CC1 1722435195 DCDFUHZVGMUYMS-UHFFFAOYSA-N 496.656 2.343 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccccc1S(=O)(=O)N(C)C 1722468788 PXTCOFVHPKZNPO-DNQXCXABSA-N 487.626 2.221 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(OC)cc2)nnc1N1CCC(OCC(N)=O)CC1 1722497264 UASVMCBMCMDARH-PGRDOPGGSA-N 455.559 2.406 30 10 JEEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1 1722519398 XMNNTLIIZROGGO-ULQDDVLXSA-N 468.624 2.300 30 10 JEEE C=C(C)Cn1c(-c2cccnc2)nnc1N1C[C@@H]2[C@@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1722522673 JWDCQGWBQAQMFD-SQNIBIBYSA-N 474.587 2.043 30 10 JEEE C=CCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1722684652 LCQRARXZUBBQAX-IBGZPJMESA-N 491.614 2.169 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1722693397 MIKXQOKYBFKEAD-LPHOPBHVSA-N 476.528 2.006 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[C@@H](C(=O)OC)C1 1722696014 XZTWZYGTGGOMBR-QGZVFWFLSA-N 457.531 2.042 30 10 JEEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC[C@H]1c1nncn1C 1722698107 CEXCIDFJUOVWPE-SFHVURJKSA-N 499.620 2.165 30 10 JEEE Cn1cc(-c2nnc(N3CCN(Cc4ccc(C#N)cc4)CC3)n2CCNC(=O)C(C)(C)C)cn1 1729570573 GGVJUPVUERQTQU-UHFFFAOYSA-N 475.601 2.035 30 10 JEEE C#CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1ccc(C(N)=O)nc1 1740608135 LTCJNFWVAHJBSZ-QGZVFWFLSA-N 453.547 2.004 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1CC(C)(C)COC)[C@@H]1CCS(=O)(=O)C1 1740619874 LZVJXFZTDCXZAW-QGZVFWFLSA-N 476.599 2.262 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1CCOCCC(C)C)[C@H]1CCS(=O)(=O)C1 1740619893 MJXNACXGYARWKR-IBGZPJMESA-N 474.583 2.363 30 10 JEEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccccc1Cl)N(C)C 1740662560 UYQUYSJZYJZIHN-YJBOKZPZSA-N 453.012 2.304 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)N2CCC(OC)CC2)CC1 1740697572 JRZXREJMHJQSNV-UHFFFAOYSA-N 461.614 2.461 30 10 JEEE C=C(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1740782219 HLVVHMNTBOWQIT-GOSISDBHSA-N 482.651 2.487 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCc2cn[nH]c2)C1 1740981442 OTXOTMPERMAGJH-MOPGFXCFSA-N 473.578 2.334 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CCC[C@@H]1c1nncn1C 1740994589 UJJLPOOZLZDNCS-QGZVFWFLSA-N 475.550 2.067 30 10 JEEE CCN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CCN(C)CC(F)(F)F 1746334656 AFQUAKHWBSNGND-UHFFFAOYSA-N 458.510 2.182 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCC(=O)N1CCCCCC1 1748663853 ALENDBXRHTYTCL-GOSISDBHSA-N 471.631 2.489 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C)N(CC)CC)c1 1748692377 GHMABXOWHDQVCZ-PXNSSMCTSA-N 451.575 2.016 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccsc3)n2CC(=O)NCC(F)F)c1 1748694951 VEKFNVWRTZXVLJ-UHFFFAOYSA-N 472.521 2.368 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1CCCCN1CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1748812334 SSAVSJFUQUIKKU-RTWAWAEBSA-N 472.659 2.422 30 10 JEEE C#CCN(c1nnc(CC)n1CC1(c2ccc(F)cc2)CCOCC1)[C@H]1CCS(=O)(=O)C1 1748817124 FSRJJFOQDSMFQJ-FQEVSTJZSA-N 460.575 2.355 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(Br)ccc1OC 1748845811 ASSADKXBYZJMPI-OAHLLOKOSA-N 477.384 2.072 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(Sc2ccccc2)CC1 1748892678 UVBFLHYTUHZRKT-OAQYLSRUSA-N 499.662 2.399 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CC(=O)N(CCOC)C1 1748901828 AQYXGDKOXWWQAN-TUNNFDKTSA-N 455.603 2.155 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2CC2CCN(C(C)=O)CC2)CC1 1749003367 HDDBUESXWJSGKB-UHFFFAOYSA-N 478.597 2.178 30 10 JEEE C#CCSCCn1c(CCc2ccccc2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1749043590 JKCRETZPFYNWMW-ZJSXRUAMSA-N 480.682 2.419 30 10 JEEE C#CCSCCn1c(N2CCN(c3ccccc3C#N)CC2)nnc1[C@@]1(OCC)CCOC1 1749049316 IQJVUZHWFVXLRR-XMMPIXPASA-N 466.611 2.495 30 10 JEEE COc1ccccc1SCc1nnc(N2CCO[C@H](C#N)C2)n1CCS(=O)(=O)CC1CC1 1749115312 GBBXLJBLAKWNNT-QGZVFWFLSA-N 477.612 2.133 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccccc2F)nnc1N1CCS(=O)(=O)CC1 1749139118 BJVRLLSKUAXWHM-JXFKEZNVSA-N 450.536 2.212 30 10 JEEE C=C(C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1749175343 FPFYIYQRSHQPAA-OAQYLSRUSA-N 491.614 2.169 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)C[C@@H]2CCN(C(C)=O)C2)cc1 1749684564 ZOQOGOVLKNLTQN-FPOVZHCZSA-N 452.559 2.147 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H]1c1nncn1C 1749739533 FKEVGODXELWIRR-GOSISDBHSA-N 475.550 2.067 30 10 JEEE C#CCN(c1nnc(-c2ccccc2)n1Cc1c(CC)nn(C)c1CC)[C@H]1CCS(=O)(=O)C1 1760185482 XYQHYJOVAQENFU-IBGZPJMESA-N 466.611 2.478 30 10 JEEE C#CCN(c1nnc(C2CCC2)n1CCCNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1760186400 CFFPKZODTUEDJC-QGZVFWFLSA-N 451.593 2.087 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2C[C@H]2N(C)CCCC2(C)C)CC1 1760265889 LJMSFGCPVGKELK-PZJWPPBQSA-N 474.650 2.088 30 10 JEEE C=C(Cl)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@H](CC(N)=O)C1 1760367335 HOVIKNFZRYJBFR-OAHLLOKOSA-N 466.011 2.391 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@H]1COCCO1 1760480591 YZABYNSPTQJAJL-RTWAWAEBSA-N 471.583 2.050 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCC(C)(C#N)CC1 1760520825 ATMOBXRMXOMZKD-UHFFFAOYSA-N 474.569 2.497 30 10 JEEE CCN(CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1)C(=O)OC(C)(C)C 1765231827 ALYYWTVPIJTSFG-IBGZPJMESA-N 480.573 2.288 30 10 JEEE C=CCN(CC=C)c1nc(NC(=O)/C=C/c2ccc(OC)c(OC)c2)n([C@H]2CCS(=O)(=O)C2)n1 1870002057 ATUPWKMWDQGNQW-LNENJAERSA-N 487.582 2.485 30 10 JEEE N#Cc1nc(-c2cccs2)oc1N1CCC(C(=O)N2CCC([C@@H]3CNC(=O)CO3)CC2)CC1 1891730592 PWGRCCHDFQRYIM-SFHVURJKSA-N 469.567 2.245 30 10 JEEE C#CCCCS(=O)(=O)Nc1c(I)nc(C)nc1I 2058128976 RRGIAPGUCHYKTK-UHFFFAOYSA-N 491.092 2.149 30 10 JEEE CC1(C)OB(c2cc(S(=O)(=O)N(CC(N)=O)Cc3ccccc3)ccc2Cl)OC1(C)C 2255796349 PONQSRGCLPLODM-UHFFFAOYSA-N 464.780 2.315 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H](O)CCC(=O)NCc1sccc1B1OC(C)(C)C(C)(C)O1 2256617367 IZOQVKQAHDGUTE-AWEZNQCLSA-N 454.398 2.329 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1)[C@@H]1CCCO1 2256677042 UUNYJFQIXSEPIA-GXTWGEPZSA-N 453.370 2.453 30 10 JEEE Cc1cc(C(=O)N2CCOC[C@@H](NC(=O)OC(C)(C)C)C2)oc1B1OC(C)(C)C(C)(C)O1 2267129255 YWXMBUWFEZESNX-HNNXBMFYSA-N 450.341 2.253 30 10 JEEE CC(C)(C)OC(=O)NCC1(F)CC(CNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2267139585 IMEJZGMMWMIULL-UHFFFAOYSA-N 452.336 2.082 30 10 JEEE Cc1cc(C(=O)NC[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2267536178 ARTMQCHRMPTGHQ-QFIPXVFZSA-N 466.409 2.457 30 10 JEEE COC(=O)[C@H](CC(=O)NCc1sccc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2268621542 FHAAEWITNLYXMY-AWEZNQCLSA-N 468.381 2.120 30 10 JEEE Cc1cc(CNC(=O)CC2(O)CN(C(=O)OC(C)(C)C)C2)sc1B1OC(C)(C)C(C)(C)O1 2268636870 IAMUHRPLAXGGAB-UHFFFAOYSA-N 466.409 2.344 30 10 JEEE C[C@H]1[C@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)[C@H](C)CCN1C(=O)OC(C)(C)C 2268773386 MTAMPRSUCWCHHA-HZSPNIEDSA-N 466.413 2.479 30 10 JEEE CO[C@H]1[C@H](CNc2ncccc2B2OC(C)(C)C(C)(C)O2)N(C(=O)OC(C)(C)C)C[C@H]1OC 2279459525 HEGYANQACVEGPV-KSZLIROESA-N 463.384 2.442 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2F)CCO1 2281760962 ZZGHZBBSZNBXRA-MRXNPFEDSA-N 464.343 2.491 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@]2(C[C@@H](NC(=O)c3coc(B4OC(C)(C)C(C)(C)O4)c3)CO2)C1 2281832873 TZEALUUZYOOCGN-WAIKUNEKSA-N 462.352 2.477 30 10 JEEE Cc1nn(C)c(C(=O)N[C@@H]2C[C@@H](NC(=O)OC(C)(C)C)C2(C)C)c1B1OC(C)(C)C(C)(C)O1 2281977960 WJFDIJMTLUWNAA-HUUCEWRRSA-N 462.400 2.449 30 10 JEEE Cc1ccnc(C(=O)N[C@H]2COCC[C@@H]2NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2282002605 QITCAFFWRSIIGW-HOTGVXAUSA-N 461.368 2.101 30 10 JEEE CC(C)(C)OC(=O)NC1CCN(CCNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)CC1 2282002741 SHSGMFYGOGMTSN-UHFFFAOYSA-N 480.440 2.161 30 10 JEEE C[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2282049532 APMXZKIIZCOCHF-FZMZJTMJSA-N 459.249 2.192 30 10 JEEE CC(C)[C@@H]1[C@H](NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CCN1C(=O)OC(C)(C)C 2282063092 HMYDWSIKBIEPFK-IAGOWNOFSA-N 462.400 2.483 30 10 JEEE CC(C)(C)OC(=O)NCCN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1)C1CCOCC1 2282196622 COWYDLCXVUAHHT-UHFFFAOYSA-N 463.384 2.460 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CN(S(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)CC12CC2 2282501389 WOCDOAWSOGYLHN-HNNXBMFYSA-N 499.464 2.261 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC([C@@H]3CCN(C(=O)OC(C)(C)C)C3)C2)n1 2282535816 UCGXOWKUTJODTL-OAHLLOKOSA-N 460.384 2.048 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1COC[C@H]1NC(=O)c1c(F)cc(B2OC(C)(C)C(C)(C)O2)cc1F 2282567290 LQTYHPYHWJDUAM-CVEARBPZSA-N 468.306 2.286 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@]2(C[C@@H](NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)c[nH]3)CO2)C1 2282634967 SOOQBUHSGKFMEP-WAIKUNEKSA-N 461.368 2.212 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](NC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)CCO1 2282665149 MDZPMXBMORPGFN-CVEARBPZSA-N 461.368 2.183 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@]2(NC(=O)c3ncncc3B3OC(C)(C)C(C)(C)O3)CCC[C@@H]12 2282707753 CJQCZYNUSAFRSY-MWTRTKDXSA-N 458.368 2.438 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1COCCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2O)C1 2282967441 MXKDJGBKAFHTSI-MRXNPFEDSA-N 462.352 2.057 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C2(CC2)C1 2283060927 OCLXIKXPGDKKSG-OAHLLOKOSA-N 458.368 2.438 30 10 JEEE CC(C)(C)OC(=O)NC1CN(CC(=O)Nc2ccc(F)c(F)c2B2OC(C)(C)C(C)(C)O2)C1 2283953377 SFAIQYXAJMCDOU-UHFFFAOYSA-N 467.322 2.411 30 10 JEEE CC(C)(C)OC(=O)NCC12COC(C(=O)Nc3ccnc(B4OC(C)(C)C(C)(C)O4)c3)(C1)C2 2284056665 MAKSEHURFLOVKC-UHFFFAOYSA-N 459.352 2.393 30 10 JEEE COc1cc(OC)c([C@H]2C(=C(O)c3ccncc3)C(=O)C(=O)N2CCCN(C)C)cc1OC 2296932720 JPBZBIXLYVNMLE-NRFANRHFSA-N 455.511 2.481 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@]2(C(=O)Nc3ncc(B4OC(C)(C)C(C)(C)O4)s3)CO[C@H]1C2 2334389896 GSHLVIXEUGVJLC-OYMPBJRDSA-N 465.381 2.453 30 10 JEEE Cn1nc(C(=O)NC[C@H](NC(=O)OC(C)(C)C)C(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2336901331 FJSXGGCCIZNSOL-HNNXBMFYSA-N 450.389 2.389 30 10 JEEE C=CC1(N[C@@]2(C(=O)O)C[C@H]3[C@@H](C2)OCCN3C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)C1 2349784733 TXFPXRLRCWFOJT-PXAQALGRSA-N 467.563 2.373 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C1CC1 2362346463 SDVTVQFHUOHHQY-CVEARBPZSA-N 460.384 2.237 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@H](CNC(=O)OC(C)(C)C)C1(C)C 2362354247 RDGVGRNDVNANBM-OAHLLOKOSA-N 462.400 2.485 30 10 JEEE CC(C)(C)OC(=O)N1CC2(CC[C@H](NC(=O)c3ccoc3B3OC(C)(C)C(C)(C)O3)CO2)C1 2362418575 YEENUPDJUJRBTM-HNNXBMFYSA-N 462.352 2.477 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H](C)[C@H](CNC(=O)OC(C)(C)C)C2)n1C 2362491073 ZHUBLSIXGBMVNY-GDBMZVCRSA-N 462.400 2.261 30 10 JEEE CC(C)(C)OC(=O)NC1CCN(CCN=c2cc(B3OC(C)(C)C(C)(C)O3)c(F)c[nH]2)CC1 2371993008 JNNFMFFWHWNLCF-UHFFFAOYSA-N 464.391 2.343 30 10 JEEE CN(C)C(=O)c1ccc2c3c(cccc13)C(=O)N(OS(=O)(=O)c1cccc([N+](=O)[O-])c1)C2=O 48524122 BBTCPJIVVFHYTD-UHFFFAOYSA-N 469.431 2.366 30 10 JEEE COc1ccccc1[C@@H]1/C(=C(/O)c2c(C)nc3ccccn23)C(=O)C(=O)N1CCN1CCOCC1 102533282 KQVYSCBXKYJFHF-KXNAUXDSSA-N 476.533 2.405 30 10 JEEE O=C1C(=NNc2cccc3c(=O)[nH][nH]c(=O)c23)C(c2ccccc2)=NN1c1ccc([N+](=O)[O-])cc1 254700622 HULKQHGXFZHRLJ-UHFFFAOYSA-N 469.417 2.344 30 10 JEEE C=CCOc1ccccc1CN(C(=O)CN1CCNC(=O)CC1)c1ccc2c(c1)OCCO2 488270024 SNQLFRYBDHAKIQ-UHFFFAOYSA-N 451.523 2.378 30 10 JEEE CC1(C)OB(c2csc(CNS(=O)(=O)CCCN3C(=O)c4ccccc4C3=O)c2)OC1(C)C 704311263 UMOGNVKGIYCJSQ-UHFFFAOYSA-N 490.412 2.153 30 10 JEEE CCc1ccccc1-n1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cnn3ccccc23)c1=O 729670197 LKXHBBCWKKYNHE-UHFFFAOYSA-N 457.559 2.137 30 10 JEEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)C1=NN(c2ccc(F)cc2)[C@H](C(N)=O)C1 913199411 CKFBDDCNGOXNRM-YWZLYKJASA-N 481.484 2.133 30 10 JEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(F)cc1 1153806989 HWWWEWNGQKQQIV-SPLOXXLWSA-N 453.499 2.262 30 10 JEEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cc3c(cc2Cl)CCCC(=O)N3)n1 1189896262 IYCRPRHJVPFZPE-UHFFFAOYSA-N 450.948 2.282 30 10 JEEE C#Cc1cccc(NC(=O)NC(=O)CN2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)c1 1193188901 SKBLLEAKMNNQSV-UHFFFAOYSA-N 452.511 2.164 30 10 JEEE N#C[C@]1(F)CCN(C(=O)c2cccc(S(=O)(=O)N3CCN(Cc4ccccc4)CC3)c2)C1 1269267607 DNVREXTVILTVBW-HSZRJFAPSA-N 456.543 2.271 30 10 JEEE C#CCN(c1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1nncn1C)[C@@H]1CCS(=O)(=O)C1 1286382077 IVDQRNMWGBCYOY-LJQANCHMSA-N 467.599 2.046 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1CCCN1CCOC1=O)[C@H]1CCS(=O)(=O)C1 1286388605 SHKOZIDQCVTCTH-INIZCTEOSA-N 495.964 2.207 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCOc1ccc(Cl)cn1)[C@H]1CCS(=O)(=O)C1 1286388673 APZVPVXCNWLLDO-SFHVURJKSA-N 486.985 2.403 30 10 JEEE C#CCN(c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H](CCC)OC)[C@@H]1CCS(=O)(=O)C1 1286394073 NARQPBSITKKEIC-OPYAIIAOSA-N 474.583 2.232 30 10 JEEE C#CCN(c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@H]1CCC(=O)N1)[C@H]1CCS(=O)(=O)C1 1286394382 IXIGYBIAWZQJSU-UXHICEINSA-N 499.637 2.060 30 10 JEEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1C[C@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1286395191 LMEQNGXBEJTRHX-VQTJNVASSA-N 459.616 2.051 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2)n1C[C@]1(N2CCOCC2)CCSC1 1286404840 YNKKDTMSDGXTBG-XMMPIXPASA-N 451.596 2.234 30 10 JEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](C)CN1CCCC1 1286409158 PBNSGCASWDSCFL-LJQANCHMSA-N 453.616 2.043 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1c(CC)nn(C)c1OC 1286443072 XMXLUBYLIBCERI-UHFFFAOYSA-N 474.569 2.487 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC(C)(C)N1CCOCC1 1286469299 HGOQYQVCKRITQK-BGYRXZFFSA-N 490.649 2.246 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CCOC)C(=O)C1 1286548434 BCZGMIUVCYXCST-IFMALSPDSA-N 450.543 2.093 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCCN(CC)C(=O)C1 1286552417 MIOMMBMFBBYQPS-KNQAVFIVSA-N 487.626 2.388 30 10 JEEE C=C(C)Cn1c(Cc2cn3ccccc3n2)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1286594437 RFACESUCOLDJDG-IBGZPJMESA-N 458.588 2.123 30 10 JEEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H](C)CN1CCN(CC)CC1 1286716833 MLVUESMSNURERX-LJQANCHMSA-N 488.706 2.442 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)Nc2ccccn2)n1C[C@]1(O)CCN(C)C1 1286742947 SANSMIMBNQRWCZ-VWLOTQADSA-N 472.553 2.056 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1cccs1)N1CCOCC1 1286757077 FFSFHDYUNHONJZ-RTBURBONSA-N 477.656 2.494 30 10 JEEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1286789826 IDUAHVCELXSIMN-HNNXBMFYSA-N 464.542 2.443 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(=O)OC)C1 1286798704 LABDLGLCOPXGEG-RBUKOAKNSA-N 474.583 2.183 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(C)nc3ccccc23)nnc1N1CC(=O)N(C)[C@@H](C)C1 1286816269 DVKHIHBISBNHEE-KRWDZBQOSA-N 468.583 2.069 30 10 JEEE C=CCSCCn1c(Cc2csc(C)n2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1286833789 OWDLUOHAJRRXPB-UHFFFAOYSA-N 470.690 2.413 30 10 JEEE CC(C)NS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1288271950 CJGMJICODAWZLB-IBGZPJMESA-N 488.614 2.029 30 10 JEEE CC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)c2cc[nH]n2)CCS1 1293636261 BUOUZOSLUYWSLT-GOSISDBHSA-N 466.571 2.214 30 10 JEEE C#CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1300392542 ZHWHZZFSWXCYGA-UHFFFAOYSA-N 475.962 2.047 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCN(CC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1300488238 CEBBFGQHQKYWRV-GOSISDBHSA-N 463.007 2.105 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(OC)c(OC(F)F)c1 1300539131 YSANNRVMRITHFO-QGZVFWFLSA-N 478.521 2.106 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1cc(Cl)c(OC)c(OC)c1 1300650998 YGXRPQZTWLVGSO-UHFFFAOYSA-N 461.950 2.319 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(C)cc2OCCCOC)CC1 1300700100 LWVXDPWMFHVBAK-JOCHJYFZSA-N 453.587 2.309 30 10 JEEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2Cc2cc(OC)c(OCC)c(OC)c2)CC1 1300703799 SSUPLPBPUFMJHZ-UHFFFAOYSA-N 476.581 2.483 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@H]2COCCO2)CC1 1300711893 JODMUWKUDCVYFE-UWJYYQICSA-N 487.988 2.453 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1300843194 DEFMRGIWNOBAOS-INIZCTEOSA-N 455.401 2.075 30 10 JEEE C=C(C)COCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@@H](C(=O)OC)C1 1300989983 SMRYZCGNINNMDE-HXUWFJFHSA-N 469.590 2.434 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(C(=O)OCC)CC1 1301481732 OGWCOKGPZKZAGN-MRXNPFEDSA-N 460.510 2.138 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N(C)Cc1ccccc1N1CCOCC1 1301588907 LNEUNZFHKBYFBN-OAQYLSRUSA-N 489.642 2.246 30 10 JEEE CC(C)[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1301980360 BOCUCLXYVYNWAM-IBVKSMDESA-N 479.629 2.357 30 10 JEEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1CC(C)(C)N1CCC(OC)CC1 1306244028 BGKKRWRURIKFAF-OAQYLSRUSA-N 465.602 2.421 30 10 JEEE CCN(CC)C(=O)CCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@@H](C#N)C1 1313635629 DMNQWKWUWSLTMO-HNNXBMFYSA-N 464.368 2.413 30 10 JEEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1[C@H]1C[C@H](c2cccc(Cl)c2)C1 1358948929 OYCJZWBGXFFFGF-WDSOQIARSA-N 463.991 2.453 30 10 JEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCCO[C@@H](C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1358955768 SUQLXFHDFZMNFX-UNMCSNQZSA-N 499.637 2.309 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@H](Cc1ccccc1)OC)[C@@H]1CCS(=O)(=O)C1 1358962398 PDHIUJVBLRYSJZ-FSSWDIPSSA-N 472.611 2.404 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1CCc1cccc(C(=O)NC)c1)[C@@H]1CCS(=O)(=O)C1 1358965723 ZZALOOFNSMQJTG-OAQYLSRUSA-N 497.646 2.159 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCn1cc(Cl)cn1 1358976408 CZEHNCDRMSXPPN-UHFFFAOYSA-N 460.929 2.298 30 10 JEEE C#CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@]1(C)CCCO1 1359019161 LZVNKRLAGYSSOS-JOCHJYFZSA-N 460.604 2.202 30 10 JEEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ccc(OC)c(O)c1 1359024128 FWSSSBBUROXTMK-UHFFFAOYSA-N 477.569 2.301 30 10 JEEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCc1c(C)noc1C 1359024161 GNNFSMLTMBBCAC-UHFFFAOYSA-N 464.574 2.386 30 10 JEEE C#CCSCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC2(CC1)CNC(=O)C2 1359051071 LGBZJDSSUHEEOX-UHFFFAOYSA-N 485.610 2.444 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCN(C(=O)N2CCCC2)CC1 1359090775 GELMIAXKPGHWHK-HKBOAZHASA-N 476.622 2.321 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2C[C@@H](C)O[C@H](C)C2)CC1 1359179421 VCEKIPGLZJVMHK-HLIPFELVSA-N 467.636 2.217 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cc(F)cc(F)c1)C1CC1 1359251639 QXWKQMXZETUCND-IBGZPJMESA-N 467.542 2.287 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C(C)=O)C[C@H]1C 1359291824 CGLHPPFMMPENNR-MJGOQNOKSA-N 454.575 2.394 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N(C)Cc1cnccn1 1359327955 OYSBXONWPPLYCL-UHFFFAOYSA-N 480.392 2.073 30 10 JEEE C=CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@H](CNC(C)=O)C1 1359339384 CPFFCCCVDOMHDK-GOSISDBHSA-N 467.603 2.193 30 10 JEEE CC(C)n1nc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CC(=O)NCC(F)F)c2ccccc2c1=O 1360156455 AOCNIRWZHAKPHQ-QFIPXVFZSA-N 488.474 2.059 30 10 JEEE Cc1cc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3cccc(F)c3C#N)CC2)no1 1361067112 FUSLYERWEVRZIQ-UHFFFAOYSA-N 452.494 2.098 30 10 JEEE C=C(C)C[C@@H](CO)NC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(Br)s1 1471536275 QUFNITKADZKVOQ-QWHCGFSZSA-N 451.408 2.497 30 10 JEEE Cc1ncc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)s1 1492695439 BJIOMUMHSKGHNV-QGZVFWFLSA-N 471.612 2.500 30 10 JEEE CC[C@H](C)NC(=O)CCn1c(-c2cnccn2)nnc1N1CCN(c2ccccc2C#N)CC1 1496248267 HLDDHNGLAIQBOH-SFHVURJKSA-N 459.558 2.238 30 10 JEEE COCCN(CCC#N)c1nnc(-c2ccc(C#N)cc2)n1Cc1cccnc1N1CCOCC1 1504882950 BLZVFSYHTJWSTC-UHFFFAOYSA-N 472.553 2.463 30 10 JEEE C#CCN(c1nnc(-c2cccc(Br)c2)n1C[C@@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1507626304 NJNDGYQRZQAXOG-XLIONFOSSA-N 481.416 2.495 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CCCN2CCCCCC2=O)CC1 1507739748 KBVPBFKIKIGFNB-UHFFFAOYSA-N 477.613 2.022 30 10 JEEE C#CCSCCn1c(CC2CC2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1507755053 KGCSGIISLVNVKX-PMACEKPBSA-N 458.676 2.224 30 10 JEEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1507929409 RAPUSTXYOWMLCA-LJQANCHMSA-N 466.590 2.025 30 10 JEEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 1507936908 KYFZIFMTMWXBQE-VQTJNVASSA-N 459.639 2.199 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CCSC1 1508040180 UDPSZQQIHGFPTC-VGOFRKELSA-N 483.635 2.093 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@H](CCC)C1 1508075449 WDFLZHMJLIADEV-OAHLLOKOSA-N 451.369 2.354 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CC[C@@](C)(C(N)=O)C1 1508077638 PDPOEYLPPVBONO-LJQANCHMSA-N 481.782 2.365 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1508087492 SJFHBONFHCDVJP-FQEVSTJZSA-N 464.549 2.205 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1508146581 YZSTWYDMJWPYNR-OAQYLSRUSA-N 466.007 2.086 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@@H]1CCC[C@@H]1OC 1513399974 GTIBBCDUOKOHBF-WFXMLNOXSA-N 495.632 2.388 30 10 JEEE COC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCN(C)C(C)C)CC1 1517719990 BAFJRCFGHFLSKV-UHFFFAOYSA-N 455.563 2.347 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@H](OC)c1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 1539216282 PXVRLVPSWKCFHP-PMACEKPBSA-N 489.001 2.346 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1N1CCCCC1 1539296667 SNCOCFWCBZAGOU-FQEVSTJZSA-N 468.627 2.390 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](c2cccs2)N(C)C)CC1 1539847198 BHLHLNCEUCYMPW-ZWKOTPCHSA-N 480.660 2.132 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CCN(C(=O)N2CCCC2)CC1 1540875830 YZRURJKIJCHICF-UHFFFAOYSA-N 481.601 2.060 30 10 JEEE C[C@H](C#N)CN(C)c1nnc(COc2ccccc2F)n1C[C@H]1CCCN1S(C)(=O)=O 1541118744 GZCJRXSDXHORQA-HZPDHXFCSA-N 450.540 2.016 30 10 JEEE COc1ccc(C(=O)N2CCN(c3ccc(C#N)c(C(F)(F)F)c3)C[C@@H]2C(=O)N(C)C)cn1 1548375537 POBXFXZLTBJDDK-GOSISDBHSA-N 461.444 2.400 30 10 JEEE CC#CCS(=O)(=O)c1cccc(C(=O)N(C)[C@@H](C)C2CCN(S(=O)(=O)CC)CC2)c1 1556884121 OJAWIOWMZJEBGD-KRWDZBQOSA-N 454.614 2.006 30 10 JEEE CCOC(=O)C1=C(Cn2ncc(C(=O)OCC)c2C#N)NC(=O)N[C@H]1c1ccc(Cl)cc1 1559392835 FZYUBOYAIUVSPJ-SFHVURJKSA-N 457.874 2.456 30 10 JEEE C#CCN(c1nnc([C@@H](C)OCCOC)n1Cc1ccc(C)s1)[C@@H]1CCS(=O)(=O)C1 1588034783 LVINVSLKKLRSKX-IAGOWNOFSA-N 452.602 2.047 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@]1(N(C)C)CCSC1)[C@@H]1CCS(=O)(=O)C1 1588045970 UYLWASFGUPDWEF-AUSIDOKSSA-N 473.668 2.318 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H](C)CN1CCN(CC)CC1 1588093817 QTVYENJKDIDZNA-GOSISDBHSA-N 472.435 2.382 30 10 JEEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCC(CN2C[C@H](C)O[C@H](C)C2)CC1 1589048196 XQWZSVCJFGLOBI-KDURUIRLSA-N 455.632 2.427 30 10 JEEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1589427225 FDBZQNVGQBUNCP-CQSZACIVSA-N 494.463 2.332 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(OC)cc2)nnc1N1CCN(C(=O)NC)CC1 1589567225 CAASOZPNDKYHSG-GCJKJVERSA-N 470.574 2.308 30 10 JEEE C=C(Cl)Cn1c(N2CCN(C(=O)CN(CC)CC)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1593932761 OVZMXGYSCKDTOZ-JOCHJYFZSA-N 469.030 2.062 30 10 JEEE C=CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCO[C@H](CNC(C)=O)C1 1594608518 NJGCDQIEOJRZKD-LJQANCHMSA-N 479.585 2.373 30 10 JEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 1595562033 LTFMTJGOCUIZSJ-UHFFFAOYSA-N 485.589 2.410 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 1595797431 GKVDJSNAQHKSPV-NRFANRHFSA-N 487.626 2.012 30 10 JEEE Cc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)[C@H](C)CC#N)c(O[C@@H]2CCOC2)c1 1612079976 GZQPIDTXEIJIOQ-MISYRCLQSA-N 473.599 2.443 30 10 JEEE CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2c(C)nn(C)c2C)CC1 1613441054 BMPYFVFPMWCQNQ-SFHVURJKSA-N 489.628 2.252 30 10 JEEE C#CCN1CCCN(C(=O)[C@@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc(F)cc2)CC1 1618030015 PSTJSOYLABOKGO-QHCPKHFHSA-N 455.555 2.109 30 10 JEEE C[C@H]1COC(C)(C)CN1c1nnc(COc2ccc(C#N)cc2)n1CCCN1CCOCC1 1620325429 AKWLAKUWKJWACM-IBGZPJMESA-N 454.575 2.455 30 10 JEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@@]1(Cc2ccc(F)cc2)CCC[C@H]1O 1625204473 CCTNHFGGQRUNFE-YTJPUZGESA-N 459.543 2.254 30 10 JEEE N#Cc1ccc(Cl)c(S(=O)(=O)NC2CCN(S(=O)(=O)Cc3ccccc3)CC2)c1 1662273130 GZNXELTZXAAXFY-UHFFFAOYSA-N 453.973 2.484 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H]1N(C)CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1689986779 WYLNGOOCFAIRLT-ICSRJNTNSA-N 458.632 2.031 30 10 JEEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC[C@@H](C(F)F)N1CCOCC1 1690077778 WLXMLAZDSQWQMB-FQEVSTJZSA-N 488.587 2.268 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H](OC)C(C)(C)C 1690101058 MYHFFCWNDPYHKZ-IBGZPJMESA-N 452.559 2.339 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCN2CCCCCC2)CC1 1690110359 IPBJJXLQWMKGQU-UHFFFAOYSA-N 484.048 2.493 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(CC)CC)n1Cc1cccc(N2CCOCC2)n1 1690188611 MFNLCDVNOSQQJE-RUZDIDTESA-N 465.602 2.469 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccsc1 1690245693 LUUYEYBVVVKRCZ-QYZOEREBSA-N 481.644 2.290 30 10 JEEE C=C(C)COCCn1c(C2CCCC2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1690311394 JJZYMEOZMNZOQU-FQEVSTJZSA-N 467.636 2.159 30 10 JEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1ccccc1)N(C)C)C1CC1 1690545639 VTZCRERYFHMZFF-LEWJYISDSA-N 474.631 2.069 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@H]1c1cnn(C)c1 1690665639 KRUAWHCPDAFILR-SFHVURJKSA-N 451.531 2.340 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCCN(C(=O)CCc2ccccc2)CC1 1690668020 PPEBEJCJMACMFG-UHFFFAOYSA-N 473.581 2.314 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N(C)CCc1cnccn1 1690718041 ZHZHYNJEIVHYPM-UHFFFAOYSA-N 480.392 2.105 30 10 JEEE Cc1nc2ccccc2n1CCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1 1693369770 GBNHCWDQPUHVRF-QVKFZJNVSA-N 474.566 2.079 30 10 JEEE CCS[C@H]1CCCCN(c2nnc(COc3ccc(C#N)cc3)n2CCNS(C)(=O)=O)C1 1696554094 AHUOUAVFNCRBKT-IBGZPJMESA-N 478.644 2.390 30 10 JEEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1snnc1C 1705500651 RFPIWWCGCOLORI-SFHVURJKSA-N 450.616 2.309 30 10 JEEE C#CCCCCn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 1705516424 BEBMKYRBVVLDFZ-LJQANCHMSA-N 454.550 2.485 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@](C)(O)[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1705562958 NOKQLQNYEFENFV-MONBJTKQSA-N 455.584 2.241 30 10 JEEE C#CCN(c1nnc(-c2ccccc2)n1Cc1cccnc1OCC)[C@@H]1CCS(=O)(=O)C1 1705565223 UGGZWKYUGMQFPB-HXUWFJFHSA-N 451.552 2.414 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccnc1OC 1705619441 QQVWOJMKYIWTDP-INIZCTEOSA-N 472.546 2.119 30 10 JEEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CCNc2ncc(Cl)cc2Cl)CC1 1705638731 VMQMILNJHMVEQM-UHFFFAOYSA-N 458.357 2.304 30 10 JEEE C#CCN1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2C[C@@H](CC(C)C)N(C)C)CC1 1705638862 ZMRGHJFUCJARBY-LJQANCHMSA-N 462.602 2.325 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC2([S@](C)=O)CC2)CC1 1705646024 OAOKRCFKFARAOX-XIFFEERXSA-N 490.029 2.484 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(O)CC(OCC)C1 1705669934 BLCJBMDOCOLYKA-PAHOBDAQSA-N 487.626 2.118 30 10 JEEE C=C(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](OC)C(C)(C)C1)c1ccccc1 1705743157 PEFACBZQVXNTDK-VQTJNVASSA-N 475.615 2.186 30 10 JEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1705812249 UXUUGBDVYDFMJQ-INIZCTEOSA-N 464.592 2.027 30 10 JEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CCOC)[C@H](CC)C1 1705890688 COVABKDSEHZOTR-MOPGFXCFSA-N 464.611 2.320 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1705896278 HQFUPDMTYIZCKU-QGZVFWFLSA-N 455.519 2.041 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1705908952 YBSZAEUWMWTMJM-LJQANCHMSA-N 483.548 2.017 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1C[C@H](c2ccsc2)O[C@H](C)C1 1705936504 RVQLXUWQGAHBFI-JFIYKMOQSA-N 452.602 2.411 30 10 JEEE N#C[C@@]1(F)CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCC2(O)CCOCC2)C1 1712874772 BUQYXUAOYFYBLT-NRFANRHFSA-N 476.940 2.235 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCc1ccc(S(C)(=O)=O)cc1 1722275054 BWZKNCZPOQUIAC-JPYJTQIMSA-N 460.600 2.423 30 10 JEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOc2ccccc2)CC1 1722317304 SEWHNTHJGCETEX-OAQYLSRUSA-N 471.627 2.185 30 10 JEEE C#CCN(c1nnc([C@H]2COc3ccccc3O2)n1CCCOCC(C)C)[C@@H]1CCS(=O)(=O)C1 1722364903 BPVVPPADZPQIQJ-DENIHFKCSA-N 488.610 2.480 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(N2CCOCC2)nc1 1722423507 FVROZQHAUJYIBA-UHFFFAOYSA-N 467.961 2.359 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Br)s3)n2CC(=O)NCC=C)CC1 1722443329 GRGHRYCFNCWTTE-UHFFFAOYSA-N 491.415 2.037 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@H](C)N(C)C 1722449267 SGSMMLHRYFPKFD-GOSISDBHSA-N 451.575 2.272 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCCS(C)(=O)=O 1722471568 JHFHSJWDAPIDIT-XMMPIXPASA-N 482.610 2.492 30 10 JEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)c2ccsc2)CC1 1722527463 JZJGUBZEMHZRAM-UHFFFAOYSA-N 458.588 2.131 30 10 JEEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CCN2[C@@H](C)CC[C@H]2C)CC1 1722737053 RFGAKLSWKNCPAV-OYRHEFFESA-N 475.707 2.428 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC(C(N)=O)CC1 1722750196 LQIPTWFRMYHRQM-UHFFFAOYSA-N 496.431 2.319 30 10 JEEE CC(C)[C@@H]1OCCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1723245856 BSTHWWAIMIHHCX-RTWAWAEBSA-N 472.615 2.350 30 10 JEEE CC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)(=O)CC1)NC(=O)OC(C)(C)C 1727251590 AADITASCLCUXOM-GOSISDBHSA-N 474.587 2.355 30 10 JEEE CN(Cc1cccc(C#N)c1)c1nnc(C2CCN(c3ncccn3)CC2)n1CCS(C)(=O)=O 1729409397 HWGKDHTYCQRPCF-UHFFFAOYSA-N 480.598 2.005 30 10 JEEE COCCN(CCC#N)c1nnc([C@@H]2CCCCO2)n1C[C@]1(N2CCOCC2)CCSC1 1730762154 ATTNNEHWYXLCCV-SIKLNZKXSA-N 464.636 2.094 30 10 JEEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2ccccc2OC(F)F)C1 1731181066 FGSTXEMYQXPVMB-MGPUTAFESA-N 469.489 2.466 30 10 JEEE N#Cc1ccc(OCc2nnc(N3CCC[C@@H](C(N)=O)C3)n2C[C@@H]2CSCCS2)cc1 1731181331 AKXDEYHWMZQZBM-SJLPKXTDSA-N 458.613 2.279 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1CCC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1740619038 FNMLQFKODSSBIG-FQEVSTJZSA-N 488.610 2.406 30 10 JEEE C#CCN(c1nnc(CCOc2ccccc2)n1Cc1oc(CC)nc1C)[C@@H]1CCS(=O)(=O)C1 1740624352 ICDUFTWOXFUENK-LJQANCHMSA-N 483.594 2.433 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCC2CCC(OC)CC2)CC1 1740690230 QEIKCQLFYZQVJR-UHFFFAOYSA-N 451.575 2.276 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(OC)cc2F)CC1 1740700560 CKPBITFRDWABGW-UHFFFAOYSA-N 491.527 2.087 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2CCN2CC=CCC2)CC1 1740707205 TZQHJUODHDVVFA-UHFFFAOYSA-N 450.562 2.236 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCC[C@@H]2OC)CC1 1740708041 AEAKRWJBOXCILI-MOPGFXCFSA-N 484.626 2.051 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(OC[C@@H]2CCCCO2)CC1 1740717733 ZQPSLYMGNIOJHM-ICSRJNTNSA-N 482.672 2.101 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(N2CCNC(=O)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740768172 UIZMBIGLCVIXGA-FTEYMNFISA-N 474.606 2.356 30 10 JEEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](OCc2ccccc2)C1 1740810478 CTLASDJMBMXYFV-RBUKOAKNSA-N 482.006 2.159 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1740850173 CXDSZCMXGBTVHM-GOSISDBHSA-N 477.635 2.186 30 10 JEEE C=CC[C@@H](Cn1c(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)nnc1C(C)(C)C)c1ccccc1 1740854824 JITAXIAGSSXWMQ-QFIPXVFZSA-N 494.640 2.443 30 10 JEEE C=CCn1c(C(=O)NC(CC)CC)nnc1N1CCN(CC(=O)N(C)C2CCCCC2)CC1 1740943150 RSVMHLSYJFMCMY-UHFFFAOYSA-N 459.639 2.296 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1740951774 NIXIECTWKPEGEG-RTBURBONSA-N 475.615 2.351 30 10 JEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCN(Cc2cc(F)ccc2OC)CC1 1740963102 ZGIABAPBGKRXSM-UHFFFAOYSA-N 499.616 2.406 30 10 JEEE C=CCNC(=O)Cn1c(COCC)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](CC)C1 1740965024 YQDRANVINIBYAA-IRXDYDNUSA-N 450.584 2.246 30 10 JEEE C=CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1740999013 WCUIBAPMDYSUNG-QGZVFWFLSA-N 458.588 2.438 30 10 JEEE C=CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(CO)CC1 1741000869 XHRGOYLRMKVXRW-UHFFFAOYSA-N 450.634 2.366 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](c1c(F)cccc1F)N(C)C 1741123890 BPSBOUAPBPFWSQ-CPUCHLNUSA-N 469.562 2.065 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cccc(COCC(F)(F)F)c1 1741678554 GNZZSTGPRXJBDN-KRWDZBQOSA-N 466.464 2.272 30 10 JEEE CCN(C)C(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1745892882 GWXQYLCCXNBMPN-UHFFFAOYSA-N 462.533 2.080 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCCO3)n2CC2(CS(C)(=O)=O)CC2)c1 1748693113 YGLCSAMRCXDVIM-FQEVSTJZSA-N 485.610 2.401 30 10 JEEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCCN(C(=O)Cc2cccc(F)c2)CC1 1748730236 GRBUQFXSSFSDKC-UHFFFAOYSA-N 454.550 2.250 30 10 JEEE C#CCN(c1nnc([C@@H](C)CC)n1CCCn1cc(Br)cn1)[C@@H]1CCS(=O)(=O)C1 1748806004 YYCITSLHIKPXHN-DOTOQJQBSA-N 483.436 2.468 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2Cl)n1CCCNC(C)=O)[C@@H]1CCS(=O)(=O)C1 1748808130 IJLWZJMWOCCTKW-MRXNPFEDSA-N 484.409 2.405 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCc1ccc(OC)cc1OC)[C@@H]1CCS(=O)(=O)C1 1748817290 HWOGHENJVIWLAH-VQTJNVASSA-N 488.610 2.059 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCC2(C)C)n1 1748971304 LBOHOLXNKZQVJM-UXHICEINSA-N 488.658 2.489 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC(NC(=O)c2ccccc2C)CC1 1749663645 LQEWTJWGROUFJT-UHFFFAOYSA-N 459.554 2.350 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1749724583 KINNYOWKDQFVPW-FUHWJXTLSA-N 463.991 2.256 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](c2nc(C)no2)C1 1749726877 HRNLCLZBROMJBC-IBGZPJMESA-N 467.555 2.493 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](OC)c1ccc(Cl)cc1 1760115964 CZPFRHHDOKEBBF-ZYSHUDEJSA-N 482.006 2.110 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1[C@H]1C[C@H](c2cccc(F)c2)C1 1760117640 RRJBNFVPCNHIDF-QOJCHSLYSA-N 461.563 2.327 30 10 JEEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1760154112 AIQCFABJUTURDG-PMACEKPBSA-N 474.606 2.305 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CC1CCN(CCC)CC1)[C@H]1CCS(=O)(=O)C1 1760187990 MPRPWNNFZYZFIL-LEWJYISDSA-N 463.648 2.268 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccc(Cl)cc1F)[C@@H]1CCS(=O)(=O)C1 1760189095 NJJXMLBPPNCNLZ-QGZVFWFLSA-N 462.938 2.146 30 10 JEEE C#CCSCCn1c(N2C[C@H](C)O[C@@]3(CCCOC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1760286801 VWPZRIZAZTWRRN-AJSBUHFISA-N 464.632 2.459 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CCCCS1(=O)=O 1760477703 IBNSNBOKWMPLHI-WOJBJXKFSA-N 473.599 2.398 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1760505342 RQYDNAPLNVLJLC-IAGOWNOFSA-N 471.624 2.074 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@@H](c2ccnn2C)C1 1760517431 MBUQKSPZUSWILR-QGZVFWFLSA-N 465.558 2.382 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@@H](C(F)(F)F)C1 1760521050 ILUXXHDFPPMABP-CQSZACIVSA-N 475.475 2.273 30 10 JEEE C=CCNC(=O)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1C[C@H](C)S[C@@H](C)C1 1760527500 YSSKSWNHVVYONM-SFTDATJTSA-N 483.686 2.275 30 10 JEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1C[C@H](c2ccsc2)O[C@H](C)C1 1760557327 HUXAOBAMVKFJIS-SJLPKXTDSA-N 479.628 2.029 30 10 JEEE C=CCSCCn1c(-c2cccc3cccnc23)nnc1N1CCN(S(C)(=O)=O)CC1 1760562937 AGQFHXBWZROEQQ-UHFFFAOYSA-N 458.613 2.494 30 10 JEEE Cc1cc(C)n(Cc2nnc(N3CCN(Cc4ccc(C#N)cc4)CC3)n2C[C@@H](C)N(C)C)n1 1762453596 CURAGXCMOWIJOC-OAQYLSRUSA-N 461.618 2.284 30 10 JEEE COc1cc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@H](C)CN2CCOCC2)cc(OC)c1OC 1769816805 GGYSBECMOWHZFW-BXKMTCNYSA-N 488.564 2.381 30 10 JEEE COCC(C)(C)Cn1c(Cc2cccnc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1770714931 CCMZRADITPNIBP-GOSISDBHSA-N 461.574 2.313 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1772660052 PSDGLTGGDVXGNY-OAQYLSRUSA-N 495.989 2.239 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)[C@@H](C)Oc3cccnc3NC(=O)NC[C@H](C)NC(C)=O)cc21 1858806809 GCHKUMSVMPYAJN-JKSUJKDBSA-N 495.536 2.289 30 10 JEEE COc1ccc(C(=O)N[C@H](CCSC)C(=O)Nc2cccc(C#N)c2)cc1S(C)(=O)=O 1866896460 XBRYBAGKWADYCJ-QGZVFWFLSA-N 461.565 2.461 30 10 JEEE N#Cc1cccc(NC(=O)CNC(=O)c2cc(-c3cccs3)n([C@H]3CCS(=O)(=O)C3)n2)c1 1868144882 BOFZHBCIQGPISL-INIZCTEOSA-N 469.548 2.211 30 10 JEEE C=CCOc1ccccc1OCC(=O)Nc1nc(N2CCN(C(C)=O)CC2)nn1C(C)(C)C 1869944429 VDFNZQOAONZXJM-UHFFFAOYSA-N 456.547 2.284 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)Nc2ccccc2C)cn1CCOCCO 1870708368 AVBUBSCWINWFTJ-UHFFFAOYSA-N 455.555 2.357 30 10 JEEE C=CCn1c(C(=O)Nc2ccc(CC)c([N+](=O)[O-])c2)cc2c(N(CCO)CCO)ncnc21 1873646883 RCFOIRHTIGEAPL-UHFFFAOYSA-N 454.487 2.131 30 10 JEEE CC(C)N1C(=O)CS[C@@H](C(=O)NC2CCN(C(=O)N(C)C)CC2)[C@@H]1c1ccc(C#N)cc1 1890743836 UILGBPRLVLOWEM-LEWJYISDSA-N 457.600 2.214 30 10 JEEE CO[C@H](C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)C1CN(C(=O)OC(C)(C)C)C1 2185151908 RAEBCQDIIZXFIS-IBGZPJMESA-N 460.380 2.484 30 10 JEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H]1C[C@@H]1NC(=O)OC(C)(C)C 2247876327 NAPFQGYUJQZGAQ-QWHCGFSZSA-N 458.411 2.300 30 10 JEEE CC(C)(C)OC(=O)N[C@H](C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)C1CCCC1 2256670629 HBJMCYRPLMIMFD-ZDUSSCGKSA-N 452.386 2.281 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)[C@H](C(=O)O)C1 2267282645 FKAMMVSYQSEJAN-ZDUSSCGKSA-N 466.365 2.193 30 10 JEEE C[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 2267500444 JAPVKIVRPCTJIV-STQMWFEESA-N 468.791 2.358 30 10 JEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1C[C@@H]2[C@H](C1)[C@@H]2NC(=O)OC(C)(C)C 2267706004 PSMZINIFHPEQSD-XOIINTDNSA-N 484.449 2.499 30 10 JEEE C=C(CS(=O)(=O)NC1CCN(CCNC(=O)OC(C)(C)C)CC1)B1OC(C)(C)C(C)(C)O1 2267728277 SDEJNIZWMGAYFU-UHFFFAOYSA-N 473.445 2.083 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)Nc1cc(Cl)ccc1B1OC(C)(C)C(C)(C)O1 2268633385 RWLMHPIGHKWEPI-HNNXBMFYSA-N 467.759 2.346 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)c(N2C[C@@H]3OCCN(Cc4ccccc4)[C@@H]3C2)n1 2280576985 LPLYPHOLEIGFSJ-RTWAWAEBSA-N 451.376 2.479 30 10 JEEE Cc1c(C(=O)NC[C@@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281992008 IHBKPBSXLPCAGT-GDBMZVCRSA-N 462.400 2.403 30 10 JEEE CCON(CCNC(=O)OC(C)(C)C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)c(CC)nn1C 2281992481 OGMRPGZJPKOSBR-UHFFFAOYSA-N 466.388 2.200 30 10 JEEE 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]1F 2282005041 NKXSENMZBUOOKE-CABCVRRESA-N 466.363 2.105 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@]2(C1)CN(C(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1)CCO2 2282028107 ZJJNAFLZTVKLIV-JOCHJYFZSA-N 479.408 2.294 30 10 JEEE Cn1ncc(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 2282044011 QPVXPYFZNUSOAL-XHSDSOJGSA-N 460.384 2.237 30 10 JEEE CCn1cc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC23CC3)nc1B1OC(C)(C)C(C)(C)O1 2282044453 UKDYQCNGCYHJIF-MRXNPFEDSA-N 460.384 2.332 30 10 JEEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCC(C)(C)N(C(=O)OC(C)(C)C)C1 2282185218 DFLSVTQYIMBFIE-CQSZACIVSA-N 463.388 2.022 30 10 JEEE CC(C)(C)OC(=O)N1[C@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C[C@@H]2OCC[C@@H]21 2282194021 ULNXPYLKQVDSBM-SZMVWBNQSA-N 461.368 2.211 30 10 JEEE CC[C@H]1CN(C(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CC[C@@H]1NC(=O)OC(C)(C)C 2282553875 VLZYCKNDWHDCLT-RDJZCZTQSA-N 462.400 2.485 30 10 JEEE CC(C)n1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@](C)(CO)NC(=O)OC(C)(C)C 2282561966 NKUZGNDEECIFMS-HSZRJFAPSA-N 465.400 2.374 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(C)C1CCN(C(=O)OC(C)(C)C)CC1 2282587499 NHBSEIOTHPSYMY-UHFFFAOYSA-N 462.400 2.499 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)[C@H](NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C2 2282595821 ZAXVJPKNAAYHRZ-YQQAZPJKSA-N 460.384 2.474 30 10 JEEE CN(C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)[C@H]1CN(C(=O)OC(C)(C)C)CC12CC2 2287008497 GZEBEHCKCAWMNZ-INIZCTEOSA-N 458.368 2.247 30 10 JEEE C[C@@H]1CN(C(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)CC2(CN(C(=O)OC(C)(C)C)C2)O1 2288576513 QVDFLNZOLOWRRE-CQSZACIVSA-N 479.408 2.293 30 10 JEEE COc1ccc(Cc2nnc(SCCO)n2N=Cc2ccc(O)c([N+](=O)[O-])c2)cc1OC 2326784121 JKOYJCHITILULI-UHFFFAOYSA-N 459.484 2.467 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C1 2362353759 MRZHKGPTYVDABX-OAHLLOKOSA-N 462.400 2.485 30 10 JEEE CC/C(C)=N\Oc1nc(NC(=O)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)nc(N(C)C)n1 59366819 GKHPPMCDTHXBFQ-AFPJDJCSSA-N 486.898 2.174 30 10 JEEE COc1cc([C@@H]2c3c(nc(N4CCC(C)CC4)[nH]c3=O)NC(=O)[C@@H]2C#N)cc(OC)c1OC 72445355 FDNBIQVAHZKBMJ-PBHICJAKSA-N 453.499 2.256 30 10 JEEE Cc1nc2ccccn2c1/C(O)=C1/C(=O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1ccncc1 102487347 LEDZNVXNZMOSMT-LAGVDGIJSA-N 461.522 2.182 30 10 JEEE CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CCOCCO)[C@H]2c2ccc(O)c(OC)c2)cc1 102611109 BPILFNQIHWILQK-AGGMBTAESA-N 457.479 2.230 30 10 JEEE COc1ccc([C@H]2/C(=C(/O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN(C)C)cc1OC 102705846 ITKKXQAIFCMAEZ-VFJWVMJUSA-N 468.506 2.458 30 10 JEEE Cc1nnc(-n2cnc(I)c2I)c(C#N)c1C 304436666 SBGZZXRADLGWGN-UHFFFAOYSA-N 451.009 2.360 30 10 JEEE COc1ccc(-n2c(=C(C#N)C(=O)c3ccccc3)sc(=Cc3cnn4ccccc34)c2=O)cn1 729672231 CTPBSIGZQVTALD-UHFFFAOYSA-N 479.521 2.336 30 10 JEEE CC(=O)N1CCC(N2C(=O)[C@H](CC(=O)Nc3cnccn3)SC2=Nc2ccccc2C#N)CC1 730725009 RNIKSKBMPRTJDF-IBGZPJMESA-N 477.550 2.319 30 10 JEEE C#CCN(C(=O)c1ccc(CN2C(=O)CNC2=O)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 1155359479 QWICKLPJCWQIAH-UHFFFAOYSA-N 454.527 2.213 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@H]1CCCc2cccnc21)[C@H]1CCS(=O)(=O)C1 1286381620 NTBGUSKBBYIAPW-CTNGQTDRSA-N 498.653 2.338 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC(C)C)[C@@H]1CCS(=O)(=O)C1 1286385173 VLLDYBOZVBBOTE-QGZVFWFLSA-N 462.572 2.254 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CC1([S@@](C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1286388805 VOJASMDPWIJLRG-SFNQZPIRSA-N 467.016 2.136 30 10 JEEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1286396482 PWTYUFUYNYJOKL-IEBWSBKVSA-N 464.975 2.316 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2C[C@H]2CCCN2CCCO)CC1 1286489568 XXNVSEHFESKUOU-JOCHJYFZSA-N 464.614 2.066 30 10 JEEE C=C(C)COCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1286604397 SLBZCNXNSCCSEE-KRWDZBQOSA-N 450.561 2.178 30 10 JEEE C=C(Cl)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1286633454 RTWLXXVPHYLQKT-UHFFFAOYSA-N 472.977 2.154 30 10 JEEE C=CCCOCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(CC)[C@@H](C)C1 1286709932 IRDLGVUHFBUXHY-SFHVURJKSA-N 451.575 2.315 30 10 JEEE C=CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1286770825 JRAJZAQMSDCDQD-ZWKOTPCHSA-N 479.578 2.374 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(NC(=O)c2ccc(F)cc2)CC1 1286788618 ZVAIXEDSQDVPCT-GOSISDBHSA-N 470.549 2.012 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1286792487 ZLNLTOLAYXFIDZ-SFTDATJTSA-N 455.559 2.106 30 10 JEEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 1286792917 LLCWISSTEQAUCT-OAHLLOKOSA-N 461.954 2.020 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CC[C@@H](CN2CCCCC2)C1 1286820319 JIVCXTPCXMSWMD-VQTJNVASSA-N 451.637 2.433 30 10 JEEE C[C@@H]1OCC[C@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(O)(C(F)(F)F)CC1 1291320762 AEQWILHDFDTAJN-LIRRHRJNSA-N 451.449 2.250 30 10 JEEE CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1295083365 FGFYLGPYZCCQEB-YOEHRIQHSA-N 466.464 2.363 30 10 JEEE C#CCCCn1c(COc2ccc(C)cc2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1300422662 VQZPBFVBPCNLCQ-FQEVSTJZSA-N 450.587 2.368 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CC[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1300482455 GCECSAQOPNXFFQ-GOEBONIOSA-N 482.404 2.089 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CCC(=O)NC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1300498846 NLZCYYGKDAPWSN-MRXNPFEDSA-N 493.580 2.079 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@]2(O)CCO[C@H]2C)CC1 1300718590 UGKCJYSLYMSQTJ-UPCLLVRISA-N 487.988 2.113 30 10 JEEE C=CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1301185941 ORPYFJWWMGGIQA-MRXNPFEDSA-N 456.572 2.172 30 10 JEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1301258345 QKQMDPQKILFBHJ-HSZRJFAPSA-N 498.653 2.357 30 10 JEEE C=CCn1c(CCOc2ccccc2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1301467541 YHEHDNRLZXXPRJ-NZQKXSOJSA-N 452.603 2.465 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CCN(CC(C)C)C(=O)C1 1301491130 DTWMIOVXDNRJHM-UHFFFAOYSA-N 475.391 2.314 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 1301506291 ILDBTNMPKGXNAY-SFHVURJKSA-N 469.521 2.395 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCSC[C@@H]2C)cc1 1301526476 NYDHFKCDNKUKIF-PXNSSMCTSA-N 493.655 2.166 30 10 JEEE C=CCOc1ccccc1Cn1c(N2CCS(=O)(=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1301536149 RVXHGNIZPVBVNF-HSZRJFAPSA-N 476.599 2.167 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CCc1cnccn1 1301596337 LYWHSXVFBHSKCG-RTBURBONSA-N 462.620 2.266 30 10 JEEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCO[C@H]1C(C)(C)C 1303640092 HQUHFCMYLAYATR-YDZRNGNQSA-N 482.651 2.191 30 10 JEEE CCS(=O)(=O)C[C@H](C)N(C)CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 1307474567 DUUHWMYOZXYGCS-DLBZAZTESA-N 450.605 2.111 30 10 JEEE CNC(=O)c1cccc(CCNC(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)c1 1312064704 FOOKTPPTASASTJ-UHFFFAOYSA-N 457.538 2.382 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1CC1(C(N)=O)CCOCC1 1358896897 OJPJEQZEXPROAF-OAHLLOKOSA-N 476.375 2.360 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CC1CCC(OC)CC1)[C@@H]1CCS(=O)(=O)C1 1358957329 SQUSAJFJKHHRQE-UZSNPODYSA-N 494.658 2.151 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCn1cc(Br)cn1 1358971792 IZXJWRVQRBMRNW-UHFFFAOYSA-N 487.383 2.081 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H](C)N2CCc3ccccc32)CC1 1359028500 UXFFSDLGWPSRCF-FQEVSTJZSA-N 463.630 2.403 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CCCn2cc(Br)cn2)CC1 1359037384 HJPHNWKWIFVSRC-UHFFFAOYSA-N 469.391 2.068 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1359304951 OPRKDFKNCORWHE-NRFANRHFSA-N 460.991 2.242 30 10 JEEE C=CCNC(=O)Cn1c(N2CCN(CC(=O)Nc3cccc(C)c3C)CC2)nnc1C(C)(C)C 1359305877 PMWLAGXMGZNUIK-UHFFFAOYSA-N 467.618 2.255 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 1359333185 QANHXSNYLHCYLS-KRWDZBQOSA-N 464.588 2.148 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCN(Cc2ccsc2)CC1 1359333809 KNXOHLHHUSATKR-UHFFFAOYSA-N 472.640 2.248 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 1359333838 LQUUDBMCRHLJOB-PKOBYXMFSA-N 490.630 2.214 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN1C(=O)OC(C)(C)C 1359473680 GHDJTKJHNYAZAX-IXDOHACOSA-N 466.608 2.176 30 10 JEEE C#CCN1CCCN(C(=O)c2cc(S(=O)(=O)N(CC)CC)ccc2Br)CC1 1444345952 BLHSBCKGUGNGPX-UHFFFAOYSA-N 456.406 2.261 30 10 JEEE C=CCC[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1)C(=O)OCC 1449692958 IDDVTQHNJRECAJ-YJBOKZPZSA-N 453.517 2.010 30 10 JEEE COC(=O)[C@@H]1CN(S(=O)(=O)c2cncc(C#N)c2)C[C@H]1c1ccc(Br)cc1 1475415510 ALTPVEZTJQBWCA-DLBZAZTESA-N 450.314 2.293 30 10 JEEE CCOC(=O)c1c(NC(=O)N[C@@H]2CC(=O)N(c3ccccc3F)C2)c(C#N)cn1CCOC 1476378474 HXKQIMLHTNKFMJ-OAHLLOKOSA-N 457.462 2.249 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCS(=O)(=O)N1CCSCC1 1507518422 UZIJFQOFYAGQNV-IAGOWNOFSA-N 481.619 2.394 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CC1(O)CCS(=O)(=O)CC1 1507523651 OOLDWBJTARTRMU-CQSZACIVSA-N 497.415 2.114 30 10 JEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCc1cccc(C(=O)N(C)C)c1 1507654336 YYJUXCXCWPPXBQ-UHFFFAOYSA-N 496.619 2.469 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(=O)N1CCCCC1 1507671265 HZWXJGYANNSIQM-NRFANRHFSA-N 498.628 2.452 30 10 JEEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(OCC(F)(F)F)c1 1507679619 OTERFGJWXXIAFL-AWEZNQCLSA-N 459.494 2.337 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCN2CCCC(C)(C)C2)CC1 1507740223 YQDGXCZVBYDUCZ-NRFANRHFSA-N 456.635 2.260 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1507811810 UVVTXIZSULCJMK-LAUBAEHRSA-N 457.535 2.426 30 10 JEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 1507843893 XRXQQQGBVDDDNV-RBUKOAKNSA-N 471.537 2.361 30 10 JEEE C=C(Cl)Cn1c(N2C[C@@H](O)[C@H](CC(=O)OC)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1507874101 PKGKNKLMZNGLHJ-LVQVYYBASA-N 469.970 2.162 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1NC(=O)CC1(C)C 1508005690 ZJCVDMQVOKSGQS-RBUKOAKNSA-N 457.600 2.288 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H](C2CC2)N(C)C)C1 1508117511 OHJGIJBLUXQBSB-CTNGQTDRSA-N 459.616 2.470 30 10 JEEE CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCN(C)C(=O)OC(C)(C)C)CCO1 1508373257 ABUCIBCHPAJZLO-FQEVSTJZSA-N 483.573 2.025 30 10 JEEE CC(=O)NC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)CN2CCCC2)CCO1 1508378821 AIQCCIOYOMBUGB-QHCPKHFHSA-N 495.628 2.192 30 10 JEEE CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCC[C@@H](O)C2)CC1 1513186191 BNDZFUFLXVVOIO-XKCSPQBFSA-N 479.629 2.405 30 10 JEEE CNS(=O)(=O)CCn1c(-c2cc(OC)ccc2Br)nnc1N1CCC(CC#N)CC1 1517623975 AFJIHYATVMPWPY-UHFFFAOYSA-N 497.419 2.395 30 10 JEEE COc1ccccc1-c1nnc(N2CCC(CC#N)CC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1518434826 CXFXVXJDNVTJAF-SFHVURJKSA-N 458.588 2.365 30 10 JEEE C#CCN(c1nnc([C@@H](C)OCCOC)n1CC1(C)Cc2ccccc2C1)[C@@H]1CCS(=O)(=O)C1 1539204709 CHPKPEOTZSCJEW-DENIHFKCSA-N 486.638 2.434 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1CCOc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1539216404 RFFMYLZXYKIEDM-IBGZPJMESA-N 455.515 2.185 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CC2C[C@@H](C)O[C@H](C)C2)CC1 1539484301 KIRURLLULFMHKP-RTBURBONSA-N 450.587 2.433 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CC(C)(C)COCC)CC1 1539489036 PYRMNYLRUURYFJ-UHFFFAOYSA-N 455.607 2.168 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N(C)CC(=O)N1CCOCC1 1539643443 WCPNPXXSHRTHOB-MBSDFSHPSA-N 473.549 2.272 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](CN2CCC(C)CC2)C1 1539704843 JQENCEYHLOWKRY-RTWAWAEBSA-N 480.679 2.135 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCOC[C@@H]2C[C@H](O)c2cccs2)ccc1F 1545707329 KJETUSNWGMLFEJ-RDJZCZTQSA-N 454.545 2.316 30 10 JEEE N#Cc1ccc(N2CCC3(CC2)CN(C(=O)c2cnccn2)C[C@H]3C(N)=O)cc1C(F)(F)F 1548375588 RQBHGGAPSIPCHF-KRWDZBQOSA-N 458.444 2.211 30 10 JEEE COC1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCCN(S(C)(=O)=O)CC2)CCCC1 1554714075 ADACGDZYLJHSBW-UHFFFAOYSA-N 458.588 2.248 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1CC1(N(C)C)CCCC1)[C@@H]1CCS(=O)(=O)C1 1588045849 RPNHBNRVJBBRNF-LJQANCHMSA-N 471.627 2.455 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1588050860 WKYTXZYQHULMJD-AQNXPRMDSA-N 485.658 2.118 30 10 JEEE C#CCN(c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCOC)[C@H]1CCS(=O)(=O)C1 1588069722 SYXPBESXNZFKOU-IBGZPJMESA-N 460.600 2.428 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(c2ccccc2)CCOCC1 1588647133 RQGLAUIMVNVEFX-FQEVSTJZSA-N 472.611 2.015 30 10 JEEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1nc2cccc(Cl)c2n1C 1588672752 HALWEKWLAUAAAU-UHFFFAOYSA-N 455.950 2.075 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(C)(C)N[C@@H](C)c2ccccc2)CC1 1588923919 QJMVGYDPJUYJJN-SIKLNZKXSA-N 491.640 2.324 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@H](OC)C2CC2)CC1 1588962125 VNLOTPDUAZMDSR-NRFANRHFSA-N 455.534 2.387 30 10 JEEE C=C(Br)Cn1c(-c2noc3c2COCC3)nnc1N1CCC[C@H](NC(C)=O)C1 1589383341 SNOFNGYYAIDAQD-ZDUSSCGKSA-N 451.325 2.019 30 10 JEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2ccc(NC(C)=O)cc2)CC1 1594192509 KBHQUGWSCUABAK-INIZCTEOSA-N 460.604 2.492 30 10 JEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccccc2)CC1 1594626591 NFNXMDARBIPHRG-NRFANRHFSA-N 474.631 2.294 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1595516742 IBPXQXSKESCQGL-RBUKOAKNSA-N 482.585 2.102 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Br)cc2)nnc1N1CCO[C@@H](C)C1 1595577521 VTFAIQBGADKCRJ-AWEZNQCLSA-N 450.337 2.147 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCc2c(ccnc2N(C)C)C1 1595595672 XROQHOJBGGQCJY-UHFFFAOYSA-N 477.569 2.192 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1595639561 CFSSWNQCQFOKHY-MOPGFXCFSA-N 452.559 2.277 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1595760006 JRLMZMQKBXUARH-OPAMFIHVSA-N 494.017 2.389 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)C1[C@H]2CCC[C@H]12 1595766320 OLNWARADLGTRJZ-ROUUACIJSA-N 464.613 2.184 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(C)=C(C)C1 1595788547 CHZPFYGYSLAOKR-UHFFFAOYSA-N 478.644 2.386 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@H](C(=O)NC)C1 1595823455 OCHBXVYRCVUWCO-IBGZPJMESA-N 475.615 2.037 30 10 JEEE C=CCS(=O)(=O)CCn1c(CSc2ccccc2OC)nnc1N1CCCOCC1 1595831093 KXXIWXSMTSNUCX-UHFFFAOYSA-N 452.602 2.407 30 10 JEEE CC(C)NC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1609889214 DMILUSCMYHRUSO-HOYKHHGWSA-N 468.558 2.028 30 10 JEEE CCOC(=O)[C@@H]1S/C(=N/C(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)N(C)[C@@H]1C 1613976234 YBVCFXCUTWBRKX-UWPIDFCGSA-N 471.576 2.108 30 10 JEEE CCO[C@@]1(c2nnc(N3CCN(c4ccc(C#N)cn4)CC3)n2C[C@@H](CC(C)C)N(C)C)CCOC1 1616252025 ASKJEIWMYASFNL-GJZUVCINSA-N 496.660 2.500 30 10 JEEE Cc1ccc(S(=O)(=O)N[C@H](C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)[C@@H](C)O)cc1 1617824882 HFEJOCOVNZYXLD-PXAZEXFGSA-N 457.430 2.432 30 10 JEEE C#Cc1ccc(NC(=O)CCc2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2C)cc1 1618689518 OBZFVCSRUBUNNH-UHFFFAOYSA-N 452.536 2.147 30 10 JEEE C#CCn1cc(CNC(=O)[C@H](CCS(C)(=O)=O)Cc2cccc(Br)c2)cn1 1634635506 HSTLXUMFZUOTCH-QGZVFWFLSA-N 452.374 2.189 30 10 JEEE Cc1nc(S(=O)(=O)N2CCN([C@@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)CC2)cs1 1645486659 FDLFMXVUNCUYEF-LBPRGKRZSA-N 453.977 2.310 30 10 JEEE C=C(C)Cn1c(SCC(=O)N(CC(=O)N(C)C)CC(F)(F)F)nnc1-c1ccncc1 1652706925 MLNPNPFDHAMQAL-UHFFFAOYSA-N 456.494 2.487 30 10 JEEE Cc1nn(-c2ccccc2)c(C)c1[C@H](CNS(=O)(=O)N1CCO[C@H](C#N)C1)C(F)(F)F 1666730835 BUKQZPYBNWFDME-SJORKVTESA-N 457.478 2.194 30 10 JEEE C#C[C@@H](NC(=O)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1)C1CCOCC1 1682887875 PKNALDSZMNTHDX-LJQANCHMSA-N 455.946 2.146 30 10 JEEE C#CCCCCn1c(N2CCN3C(=O)N(CC(C)C)C[C@@H]3C2)nnc1[C@@]1(OCC)CCOC1 1689907076 ZUSXPTUMSZPYEI-GBXCKJPGSA-N 458.607 2.316 30 10 JEEE C#CCCCn1c(COc2ccccc2F)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1689940225 RCJHVOUIPQTEEW-LJQANCHMSA-N 491.589 2.040 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H]1CCCCN1CCC)[C@@H]1CCS(=O)(=O)C1 1689993231 YMSPLQVATABUNK-FCHUYYIVSA-N 470.643 2.155 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H]1CN(CC(C)C)CCO1 1690015766 XICLGFCAIUBPDW-LJQANCHMSA-N 459.554 2.024 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2C[C@H]2CN(CC(C)C)CCO2)CC1 1690133905 YHXBFFAPNLBVCC-OAQYLSRUSA-N 470.593 2.108 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCNC(=O)c2ccc(C)c(F)c2)CC1 1690141941 FXLDVEWRCHNDBS-UHFFFAOYSA-N 477.544 2.117 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCOc1ccccc1C 1690206621 WATUHYKQRMLZEW-ZJSXRUAMSA-N 487.626 2.381 30 10 JEEE C=C(C)COCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1690309531 CLKJUFPCRHTACE-IBGZPJMESA-N 489.646 2.183 30 10 JEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)c1nccs1 1690485548 WLQKVKUBKOCCNK-HZPDHXFCSA-N 454.622 2.274 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C(C)(C)O)c1)C1CC1 1690544775 AQZGIUGIWATHAV-FQEVSTJZSA-N 475.615 2.042 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)C(C)C 1690565806 TXMBANBXBUGHQT-NZQKXSOJSA-N 477.631 2.211 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N(C)CCN1CCN(c2ccccc2)CC1 1690669008 QBXIILZCOKSGMY-UHFFFAOYSA-N 474.613 2.209 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1690718815 ANGCNEGNHYHQNC-CVEARBPZSA-N 452.920 2.313 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(NC(C)=O)CC1 1690725408 PCRIWIHAHWGQSH-UHFFFAOYSA-N 466.007 2.228 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCCc2ccccc2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1690726960 RKHYZXFRPMEHOC-IBGZPJMESA-N 459.616 2.111 30 10 JEEE CC(C)(C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1691034304 GYZBLIWUBZCMNV-LJQANCHMSA-N 472.615 2.383 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(C)(C)N1CCC(OC)CC1 1705486048 VSQFBJDMFVKQNL-GOSISDBHSA-N 463.590 2.268 30 10 JEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2cc(OC)c(OC)cc2C1 1705510537 RRIYVYZMSGBGSI-INIZCTEOSA-N 461.588 2.272 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCOCC(F)F)[C@@H]1CCS(=O)(=O)C1 1705562315 ZSNSJBNCGRNDTP-GOSISDBHSA-N 495.552 2.056 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCCN1C[C@H](C)C[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1705566564 ODVXLTVEAYFOEC-GXRSIYKFSA-N 477.675 2.167 30 10 JEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC[S@](=O)C(C)(C)C 1705583148 RJHDUISYYHZWRX-YTTGMZPUSA-N 453.616 2.072 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@]1(OC)CCOC1 1705595681 BQAOUBNKTBNPFG-AREMUKBSSA-N 474.565 2.333 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCN(CC)C1 1705597651 MYEOPSFAEJZMDN-RTWAWAEBSA-N 470.618 2.391 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H]2CCOC[C@H]2C)CC1 1705635177 SNMZVBVMSOYIRJ-SJORKVTESA-N 461.408 2.474 30 10 JEEE C#CCN1CCN(c2nnc(-c3nn(CCC)c(=O)c4ccccc34)n2C[C@](C)(O)CCC)CC1 1705638425 KKIQADMIAFJACC-AREMUKBSSA-N 477.613 2.371 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2CCNC(=O)c2cccs2)CC1 1705646146 AHYZDLPNZVAODM-UHFFFAOYSA-N 492.605 2.411 30 10 JEEE C#CCSCCn1c(N2CCN(C(=O)Cc3ccccc3)CC2)nnc1[C@@]1(OCC)CCOC1 1705665206 MWTDHHIBJYOFKW-RUZDIDTESA-N 483.638 2.188 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1705707207 GZPYJWZOFVYXDE-QZNHQXDQSA-N 474.650 2.491 30 10 JEEE C=C(C)COCCn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1705732096 NBLFZCIZRKUPCL-IBGZPJMESA-N 479.603 2.070 30 10 JEEE C=C(C)COCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1705732839 DGCSTPVAUAELSW-SFHVURJKSA-N 494.390 2.260 30 10 JEEE C=C(C)COCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1705733134 JKRXGJAUKAXVOB-LJQANCHMSA-N 484.557 2.028 30 10 JEEE C=CC1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCNS(=O)(=O)c2ccccc2)CC1 1705777086 XBCPWVUUBDOQEQ-HSZRJFAPSA-N 475.615 2.311 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(C)CC(=O)Nc1c(C)cc(C)cc1C 1705932046 JDAIZWKUWGNKFB-UHFFFAOYSA-N 485.614 2.280 30 10 JEEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCCC2(CCOCC2)C1 1705937767 DIIHERVSAVTSAQ-UHFFFAOYSA-N 493.655 2.267 30 10 JEEE C=CCSCCn1c(N2CCO[C@H](CNC(C)=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705949612 CYANGKKRMQCZDG-CEXWTWQISA-N 494.662 2.309 30 10 JEEE C[C@@H](CN1CCOCC1)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@](F)(C#N)C1 1706821210 HZOXAJNWGQQBRY-GAJHUEQPSA-N 489.983 2.272 30 10 JEEE C#CCN1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2C[C@@H](C)N(CC)CC)CC1 1722437308 CYDIZNZFJVUNDA-HXUWFJFHSA-N 476.629 2.160 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2CCC[C@H]2OC)CC1 1722443074 BRMOCBZNADXVDP-BKSPAHHJSA-N 473.618 2.100 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@](C)(OC)C2CC2)CC1 1722449294 PGHNCLPYSKHESF-HSZRJFAPSA-N 456.616 2.415 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(Cc2csc(C)n2)n1CCN/C(O)=C1/N=CC=CC1=O 1722474007 GKICVUIIDLQWEL-SHQVNNEXSA-N 451.556 2.152 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N(CC)[C@H]2CCS(=O)(=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1722498829 FHGHTLXXPQRIAP-QTDGGUCWSA-N 482.647 2.313 30 10 JEEE C=C1CCN(c2nnc(-c3nn(C(C)C)c(=O)c4ccccc34)n2CCS(=O)(=O)N(C)C)CC1 1722564797 HBRBBDMUNXTPND-UHFFFAOYSA-N 485.614 2.284 30 10 JEEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC[C@H](n2cncn2)C1 1722698366 FETIZCNIKWCUFD-IBGZPJMESA-N 499.620 2.128 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](c2cccc(F)c2)N(C)C)C1 1722717768 DDBACYDTQOUUIT-HMXCVIKNSA-N 477.606 2.404 30 10 JEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CC[C@@H](c2cccc(C)c2)C1 1722730392 QLAYUHSRHLPOEK-HXUWFJFHSA-N 457.600 2.304 30 10 JEEE CC1CCN([C@H](C)Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCO[C@H](C#N)C2)CC1 1726590260 IDFIOLOAWVBZMZ-UYAOXDASSA-N 472.615 2.198 30 10 JEEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@](C)(O)c2ccsc2)CCN1S(C)(=O)=O 1731150275 IDZADDYKIMOTQG-KSFYIVLOSA-N 486.623 2.256 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1cccnc1OCCOC 1740546381 HOHVVXSSLQZCNT-KRWDZBQOSA-N 473.537 2.118 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1CCN(CC)C(C)C)[C@H]1CCS(=O)(=O)C1 1740619093 FYWABONZZFIUCN-IBGZPJMESA-N 473.599 2.031 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCCn1nc(C)cc1C)[C@H]1CCS(=O)(=O)C1 1740620138 OAKHTSYVDCMXNU-NRFANRHFSA-N 482.610 2.484 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCc1ccc(F)c(F)c1F)[C@H]1CCS(=O)(=O)C1 1740626117 JPNWHPJKCDGFHN-IRXDYDNUSA-N 482.528 2.459 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCCC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1740627759 SHGYZABMCVYCPB-UXHICEINSA-N 450.605 2.353 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H]1CCOC[C@@H]1OC 1740669214 RGDXRJIOHYBACL-PXNSSMCTSA-N 450.543 2.186 30 10 JEEE C#CCN1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CC(=C)Br)CC1 1740693234 VDKGYERDTRAQBV-UHFFFAOYSA-N 492.447 2.210 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC2CCCCC2)CC1 1740794776 IBMALVIOQQZPRN-NRFANRHFSA-N 465.664 2.475 30 10 JEEE C=CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)NCC)CC1)c1ccccc1 1740853345 BKKQBVONADUPEN-AZUAARDMSA-N 489.646 2.100 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)NC(C)C)n1C[C@H]1CCCN1S(C)(=O)=O 1740919813 SQBKKPQUWAHLQO-GOSISDBHSA-N 478.594 2.172 30 10 JEEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)C1CCN(CCn2cccn2)CC1 1740944147 WMVIMHLMOYMAJA-UHFFFAOYSA-N 498.657 2.179 30 10 JEEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1740962889 RMLBQWGONWCOLO-UHFFFAOYSA-N 468.602 2.069 30 10 JEEE CC(C)OCCS(=O)(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2CC2)CC1 1741765461 ALJXLEODTZKAFG-UHFFFAOYSA-N 458.588 2.104 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2C[C@@H]2CCCCS2(=O)=O)c1 1748694777 NUJABGVCJRBICG-QFIPXVFZSA-N 492.605 2.287 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1Cc1cnn(C)c1C)[C@H]1CCS(=O)(=O)C1 1748804654 JQRLTCBFKZHXMB-PXNSSMCTSA-N 486.573 2.274 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1CCOc1ccccc1C)[C@H]1CCS(=O)(=O)C1 1748811818 LWDUMHGVNGISEW-IBGZPJMESA-N 451.552 2.354 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CCC(=O)NC(C)(C)C)CC1 1748979149 VSAJGDSJXSFUND-UHFFFAOYSA-N 484.601 2.031 30 10 JEEE C#CCSCCn1c(N2CCO[C@H]([C@@H]3CCCO3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1749049196 FSLVFYNOSGJCCO-CNNODRBYSA-N 450.605 2.069 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1([S@@](C)=O)CCC1 1749056347 FIUAJNOGEUMAPK-APYJYERMSA-N 489.667 2.489 30 10 JEEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1749114795 HBPOMKDJFOPFBH-FHWLQOOXSA-N 483.455 2.127 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](COc2ccccc2)C1 1749268744 GLBRLSNSMUMQKK-HKUYNNGSSA-N 482.006 2.269 30 10 JEEE C=CC[C@H](Cn1c(-c2cnccn2)nnc1N1CCN(CC(=O)NCC)CC1)c1ccccc1 1749383350 VVDGNUJSZLDWFH-OAQYLSRUSA-N 460.586 2.353 30 10 JEEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@H](C(C)C)C1 1749652853 UWDCIGRTOWCBEA-KRWDZBQOSA-N 459.620 2.331 30 10 JEEE C[C@@]1(C#N)CCCN(c2nnc(-c3ccccc3)n2CCS(=O)(=O)N2CCSCC2)C1 1751273008 BVCVJPRZFUMFJZ-NRFANRHFSA-N 460.629 2.454 30 10 JEEE CC1(C)CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CCS1 1751294535 FXYAATGTPUNVQP-QGZVFWFLSA-N 460.629 2.430 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCN(CC)C2CC2)CC1 1760263648 JTFGFYMTAMAWAR-BGYRXZFFSA-N 471.650 2.288 30 10 JEEE C=C(Cl)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1760367989 WNRWHBITFXCISD-IBGZPJMESA-N 456.978 2.500 30 10 JEEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(CC(=O)N2CCN(CC)CC2)CC1 1760431575 VBNFJEOYLJWNSJ-UHFFFAOYSA-N 471.650 2.251 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1760518252 NSSQOXDGRBDCCT-UHFFFAOYSA-N 490.967 2.115 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1760527545 ADKREVKRUHZHLQ-WMLDXEAASA-N 469.464 2.324 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN2CCCC[C@H]2C1 1760552970 HVVSGANZNRQBSK-KRWDZBQOSA-N 450.996 2.269 30 10 JEEE CN(C)CC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1766936120 CWIIOXAIXQIIGU-NHCUHLMSSA-N 486.642 2.218 30 10 JEEE C=CCN(CC=C)C(=O)C1=C(N)Oc2c(c(C)nn2C)[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1865587543 VDNALDZUUIYQCV-IBGZPJMESA-N 467.482 2.303 30 10 JEEE CC(=O)Nc1nc(-c2cccs2)c(CC(=O)N[C@H](CO)C(=O)Nc2ccc(C#N)cc2)s1 1866637533 ZDRBWVIGVXXHDK-OAHLLOKOSA-N 469.548 2.360 30 10 JEEE CC[C@](C)(NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(=O)N(CCOC)CCOC 1868795153 JHJBSBAPPGBTOZ-XXBNENTESA-N 464.632 2.431 30 10 JEEE COc1ccc([C@@H]2[C@@H](C(=O)N3CC[C@@H](Oc4cc(C#N)ccn4)C3)OCC(=O)N2C(C)C)cc1 1889702903 LWCVLIRDWQDKHL-HUVFLSCGSA-N 464.522 2.319 30 10 JEEE CC(C)N1CCN(CC#CCOC2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)CC1 1890458315 NDOWKCDNNCREPZ-UHFFFAOYSA-N 455.571 2.164 30 10 JEEE N#Cc1nc(-c2cccs2)oc1N1CCC(C(=O)N2CCC([C@H]3CNC(=O)CO3)CC2)CC1 1891730591 PWGRCCHDFQRYIM-GOSISDBHSA-N 469.567 2.245 30 10 JEEE CC(C)(C)OC(=O)N[C@@]1(C(=O)N[C@H](C(=O)O)C(C)(C)S)CCN(Cc2ccccc2)C1 2019071113 KXZAWRZTAOHDSZ-ZHRRBRCNSA-N 451.589 2.434 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](C(=O)N2CC(CB3OC(C)(C)C(C)(C)O3)C2)S(=O)(=O)C(C)(C)C1 2197739153 ARURDYFVOVGQQX-INIZCTEOSA-N 486.440 2.350 30 10 JEEE CC(C)(C)OC(=O)NC[C@H](O)CCC(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)cs1 2256617196 HXIRODBBTDAFTH-OAHLLOKOSA-N 454.398 2.329 30 10 JEEE Cc1cc(CNS(=O)(=O)CCN2C(=O)c3ccccc3C2=O)ccc1B1OC(C)(C)C(C)(C)O1 2260899643 WHWSHBMEMQCEIC-UHFFFAOYSA-N 484.383 2.010 30 10 JEEE Cn1ncc(I)c1CNc1nccc(B2OC(C)(C)C(C)(C)O2)c1F 2266061621 OYMMKFOCAUVAFM-UHFFFAOYSA-N 458.084 2.470 30 10 JEEE CC1(C)OB(c2csc(S(=O)(=O)NC[C@@H]3CCCN(C(=O)C(F)(F)F)C3)c2)OC1(C)C 2267368629 LTMXMWDSDOTKSV-LBPRGKRZSA-N 482.355 2.127 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H]1NS(=O)(=O)c1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2267468683 XOAANHQAXPMWSN-IAGOWNOFSA-N 470.372 2.459 30 10 JEEE CC(C)(C)OC(=O)NCCOCCCNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2267472269 ZSYOYZDFSJNNDO-UHFFFAOYSA-N 490.453 2.257 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]1NS(=O)(=O)c1c(F)cc(F)cc1B1OC(C)(C)C(C)(C)O1 2267472687 UFWBFUHHOMGPEM-HUUCEWRRSA-N 474.335 2.208 30 10 JEEE CON(CCCNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1)C(=O)OC(C)(C)C 2267714104 UQMPOAOZIDICPI-UHFFFAOYSA-N 470.397 2.453 30 10 JEEE CC(C)(C)OC(=O)NC1CCN(S(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CC1 2267722076 TWVKZWUBEIAQGV-UHFFFAOYSA-N 467.397 2.059 30 10 JEEE C=C(CS(=O)(=O)N1C[C@H](CNC(=O)C(F)(F)F)C2(CCC2)C1)B1OC(C)(C)C(C)(C)O1 2267725472 ZMOABGWJNKWXIM-AWEZNQCLSA-N 466.331 2.284 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)Nc1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2268630308 IXNJFJDBVTXAIN-RHSMWYFYSA-N 450.316 2.434 30 10 JEEE C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@@H](C)c1nscc1B1OC(C)(C)C(C)(C)O1 2268641565 OCCTZVXGJPJKKN-HEHGZKQESA-N 469.413 2.236 30 10 JEEE C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@H](C)c1nscc1B1OC(C)(C)C(C)(C)O1 2268651281 OCCTZVXGJPJKKN-WWGRRREGSA-N 469.413 2.236 30 10 JEEE CN(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1csc(B2OC(C)(C)C(C)(C)O2)c1 2268723757 ZRFAYEXVCKLYFA-MRXNPFEDSA-N 467.441 2.461 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@]2(C1)CN(C(=O)c1nscc1B1OC(C)(C)C(C)(C)O1)CCO2 2281802938 QNZXDFSRHKTZET-QFIPXVFZSA-N 479.408 2.294 30 10 JEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2C[C@H]3CC[C@H]2N(C(=O)OCc2ccccc2)C3)n1 2281954939 DWAHBBBIRULQFH-CEXWTWQISA-N 495.389 2.034 30 10 JEEE Cn1nc(C(=O)N2C[C@H]3CC[C@]3(CNC(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2281971460 JMZCVRBINKQVKG-CMJOXMDJSA-N 460.384 2.096 30 10 JEEE Cn1nc(C(=O)N2CCC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)cc1B1OC(C)(C)C(C)(C)O1 2281981572 ODXFWGDWCNQEGS-WBVHZDCISA-N 460.384 2.191 30 10 JEEE Cc1nc(C(=O)NC[C@@]2(O)CCCN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2282017984 RCPSEBPHUZYUCO-QFIPXVFZSA-N 481.424 2.243 30 10 JEEE CCn1cc(C(=O)N=[S@]2(=O)CC[C@@H](NC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2282042518 COOJITLFYBXUJY-GSLRCMBYSA-N 482.412 2.107 30 10 JEEE CC(C)[C@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CCN1Cc1ccccc1 2282183144 CFTVVYFITGBTKW-LJQANCHMSA-N 453.396 2.097 30 10 JEEE Cc1ccc(S(=O)(=O)N2CC[C@](C)(NC(=O)C(F)(F)F)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2282307575 FCRQYPWNBOZHJB-IBGZPJMESA-N 476.326 2.126 30 10 JEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)Nc1n[nH]c(CNC(=O)OC(C)(C)C)n1 2282308907 XUANKWBNRMUPKA-UHFFFAOYSA-N 499.424 2.299 30 10 JEEE Cn1cc(C(=O)NC[C@@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2282545969 KEDJGPOFIYKWON-ZDUSSCGKSA-N 470.326 2.094 30 10 JEEE CC[C@@H]1CN(C(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CC[C@@H]1NC(=O)OC(C)(C)C 2282553876 VLZYCKNDWHDCLT-WBVHZDCISA-N 462.400 2.485 30 10 JEEE CS[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)c(C)nn1C 2282573823 GEDYMCLGOVLDDR-LSDHHAIUSA-N 480.440 2.108 30 10 JEEE Cc1c(C(=O)N2CCCN(C(=O)OC(C)(C)C)[C@H](C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282589062 YHWJPMATFGCROP-OAHLLOKOSA-N 462.400 2.499 30 10 JEEE CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282608945 BJDDTZRLYPMZRR-HOTGVXAUSA-N 481.786 2.398 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1(C)C 2282697714 UQGSTXPRPRCRPL-GDBMZVCRSA-N 460.384 2.445 30 10 JEEE COCC[C@@H](CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1O)NC(=O)OC(C)(C)C 2282973204 ZMTWSBRCUNGPQO-INIZCTEOSA-N 464.368 2.351 30 10 JEEE COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1NC(=O)[C@@H]1C[C@H](O)CN1C(=O)OC(C)(C)C 2283965682 YADSATWXASHARG-RDJZCZTQSA-N 462.352 2.303 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](O)C[C@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2283974861 WEGBGYHNTNDSJI-HOCLYGCPSA-N 465.331 2.219 30 10 JEEE O=C1C(=O)N(CCCN2CCOCC2)[C@@H](c2cccc(O)c2)C1=C(O)c1ccc2c(c1)OCCO2 2297743858 SHAJBJMKHOKTMN-QHCPKHFHSA-N 480.517 2.307 30 10 JEEE NC(=O)CSc1nnc([C@@H]2CC(=O)N(Cc3ccccc3)C2)n1N=Cc1cccc(F)c1 2325917102 BCTIWCVDYUOATJ-QGZVFWFLSA-N 452.515 2.393 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1COC(C)(C)[C@]1(C(=O)O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 2346919115 MJBHTIJOQJPRLC-GLDPYIMESA-N 458.559 2.222 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCCCOCCOCc2ccccc2)n1C 2362435640 IJEJCVGQNPPVLB-UHFFFAOYSA-N 457.380 2.381 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(C)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1F 2369668347 BGSHLTNKLUWDRL-GJZGRUSLSA-N 466.363 2.057 30 10 JEEE C=CCNC(=O)CN1CCN(C(=O)c2ccccc2NS(=O)(=O)c2ccc(Cl)cc2)CC1 32272571 OSTLXQLDKYEKMT-UHFFFAOYSA-N 476.986 2.201 30 10 JEEE COc1cc([C@@H]2c3c(nc(N4CCCC[C@H]4C)[nH]c3=O)NC(=O)[C@@H]2C#N)cc(OC)c1OC 72444480 KYLBVZMYFUXMRM-MRRJBJDNSA-N 453.499 2.398 30 10 JEEE CCCCCCCCO[C@@H]1O[C@@H]([C@@H](COC(C)=O)OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 97978008 YQYGIWWSRQRBBQ-PVIWCNJMSA-N 460.520 2.447 30 10 JEEE CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CCOCCO)[C@@H]2c2ccccc2[N+](=O)[O-])cc1 102572551 CNYBNPJFFCOCSD-GOBJLOIFSA-N 456.451 2.424 30 10 JEEE CO/N=[N+](\[O-])CC(=O)N1CCCN(S(=O)(=O)c2ccc(C)cc2)[C@H]1c1ccc(OC)cc1 103937015 IVTOHNACDZWRRZ-FNLARSECSA-N 462.528 2.449 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)N3CCC[C@@H](NS(=O)(=O)c4cccc(F)c4)C3)cc2C1=O 524585459 QIRCQFKGCCMRKB-QGZVFWFLSA-N 471.510 2.191 30 10 JEEE CNC(=O)C[C@@H]1S/C(=N\CCc2ccccn2)N(CCc2cc(OC)ccc2OC)C1=O 726109730 BBXXMXFEXSMGNC-UOODYVSWSA-N 456.568 2.320 30 10 JEEE C=CCn1c(S)nnc1Cc1csc(NC(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)n1 912733072 XRXONBLEVUDURM-UHFFFAOYSA-N 475.600 2.239 30 10 JEEE Cc1nn(CCO)c(C)c1C=NNc1nc(SCC(=O)NCc2ccccc2Cl)n[nH]1 1083986104 YQNSGUPGQXTWQF-UHFFFAOYSA-N 462.967 2.118 30 10 JEEE Cc1cccc(CC2(O)CCN(C(=O)C[C@@H](C)/N=C3/NS(=O)(=O)c4ccccc43)CC2)c1 1156449370 DGTZPSYMLRBPQN-GOSISDBHSA-N 455.580 2.408 30 10 JEEE N#Cc1c(F)cccc1S(=O)(=O)NCC1(N2CCN(c3ccccc3)CC2)CCOCC1 1190346405 GMXCKGNWUQOZKZ-UHFFFAOYSA-N 458.559 2.347 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(C(N)=O)CCCC1 1286296861 RWRGHJJRYAIPCU-IRXDYDNUSA-N 460.579 2.090 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCN(C)C(C)(C)C1 1286447735 NGTFSQMYQAWZEV-FQEVSTJZSA-N 489.665 2.072 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2CCCS(=O)(=O)c2ccccc2)CC1 1286479924 QMCNLNCGUYUWBP-UHFFFAOYSA-N 464.595 2.268 30 10 JEEE C#CCSCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1286504655 PLLWRMFNFXWPMB-IEBWSBKVSA-N 467.551 2.327 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2)CC1 1286546134 GNZHMQAWLXKGSR-ZJOUEHCJSA-N 474.631 2.196 30 10 JEEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1286607594 SFUYIIYDLNCISN-GOSISDBHSA-N 452.563 2.274 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCNS(C)(=O)=O)CC1 1286664310 WAPFUUSTHIEBLB-GOSISDBHSA-N 482.651 2.344 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCC(CN2CCOCC2)CC1 1286819872 YMUFWAIVPQFEPS-UHFFFAOYSA-N 451.637 2.085 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1286821842 BWFQNNGALWFBIY-NRFANRHFSA-N 487.670 2.354 30 10 JEEE C=CCS(=O)(=O)CCn1c(N(C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)nnc1C(C)(C)C 1286822509 FGNCLOSXFUNWJG-OAHLLOKOSA-N 469.633 2.021 30 10 JEEE Cc1nn(C)c(N2CCN(c3nnc(C(=O)N4CCCC4)n3CCSC(F)(F)F)CC2)c1C#N 1290576379 DMHQSJNGXYQJLA-UHFFFAOYSA-N 497.551 2.007 30 10 JEEE COc1cc(-c2nnc(N(C)[C@@H](C)CC#N)n2CC(=O)NCC(F)(F)F)cc(OC)c1OC 1299836016 IAOMFEOYZRYZFJ-LBPRGKRZSA-N 470.452 2.388 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(F)cc2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1300325006 QNROVUHXWCVNCG-WIYYLYMNSA-N 456.566 2.397 30 10 JEEE C#CCCCCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@H](S(C)(=O)=O)C1 1300341669 JYWCBFHUUPBSAX-HNNXBMFYSA-N 454.394 2.473 30 10 JEEE C#CCCCCn1c(N2CCN(c3nccnc3C#N)C[C@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 1300377083 SAKBZUXGXLYMPZ-CJFMBICVSA-N 478.601 2.499 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)(C)C)n2Cc2ccc(C)n(C)c2=O)n1 1300675346 AIWHOWFEDLZAHO-UHFFFAOYSA-N 451.575 2.114 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CCCS(=O)(=O)C1 1300675950 ILWHGHZFOKHMAK-GUDVDZBRSA-N 452.621 2.108 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)N2C[C@H](C)O[C@H](C)C2)CC1 1300708393 RQPGXBIBJSVRJQ-SZPZYZBQSA-N 491.640 2.372 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H](OC)c2ccc(F)cc2)CC1 1300710777 KVNBWWNJALJYMF-NNWRFLSQSA-N 457.550 2.284 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CCC2CC(OCC)C2)CC1 1300725710 CBTKJOLLMHIHBO-UHFFFAOYSA-N 450.587 2.435 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@](C)(O)c2ccccc2Cl)CC1 1300726347 NVZRHPWWQNIARO-KOSHJBKYSA-N 471.989 2.309 30 10 JEEE C#CCSCCn1c(COc2ccccc2CC)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1300777298 SVVDFVDHFDJEKU-IBGZPJMESA-N 454.600 2.342 30 10 JEEE C=C(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1300963883 LZQQLLVEYIDEQA-CVDCTZTESA-N 463.586 2.294 30 10 JEEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1300990713 YDCBUSWKRHCOLZ-FQEVSTJZSA-N 475.615 2.194 30 10 JEEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1ccco1 1301258095 LBWIMMOCROTVJP-HKUYNNGSSA-N 465.576 2.138 30 10 JEEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1301510416 XMNSXFNFFLYMAP-UHFFFAOYSA-N 467.618 2.386 30 10 JEEE C=CCS(=O)(=O)CCn1c(N(C)[C@H](C)CC#N)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1301593366 NGFXDADNIZUYGZ-ZACQAIPSSA-N 466.608 2.388 30 10 JEEE COCCN1C[C@H](Cn2c(Cc3ccncc3)nnc2N(C)Cc2cccc(C#N)c2)CC1=O 1301862040 CWUQXAAIWHATBY-JOCHJYFZSA-N 459.554 2.267 30 10 JEEE C#CCCCCn1c(COc2ccc(Br)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1358916588 QBZOFFCJRWQPMF-SFHVURJKSA-N 476.375 2.374 30 10 JEEE C#CCN(C)c1nnc(COc2ccc(C)cc2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1358952936 DMSOYIVKFWMARY-FPOVZHCZSA-N 457.600 2.439 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCS1)[C@H]1CCS(=O)(=O)C1 1358966581 RPTRDTSGZQYXQL-ICSRJNTNSA-N 471.608 2.251 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@]1(N2CCOCC2)CCSC1 1358974185 UOLSRFYOUYMODV-RUZDIDTESA-N 481.622 2.243 30 10 JEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCNC(=O)c1occc1C 1358976218 VNEWAAGBAPXOIW-UHFFFAOYSA-N 493.593 2.033 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@]1(N(C)C)CCSC1 1359015332 PXERAMWDEUCMFI-VGSWGCGISA-N 494.662 2.105 30 10 JEEE C#CCSCCn1c(-c2cccnc2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1359054376 TUGPKKBVYNUWSE-UHFFFAOYSA-N 454.585 2.413 30 10 JEEE C#CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1359058123 TTWKVIHRLJFBHW-MDZRGWNJSA-N 464.613 2.415 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 1359097873 VBEDNQCCZKVEMD-CUWPLCDZSA-N 473.599 2.250 30 10 JEEE C=C(C)COCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1359126323 MGZUQRIOOJMLCA-LJQANCHMSA-N 472.977 2.265 30 10 JEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1359287498 GSEMQJOGQFSJEN-SJORKVTESA-N 469.608 2.176 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC(NC(=O)c2ccc(C)s2)CC1 1359297394 OXMPKDNBKCUNCN-UHFFFAOYSA-N 467.599 2.355 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC(NC(=O)c2ccccc2)CC1 1359299895 PIUKAVGYTGULLW-HXUWFJFHSA-N 452.559 2.221 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC(C(=O)c2ccc(O)cc2)CC1 1359302632 OIMDFXYOEVFIQA-UHFFFAOYSA-N 460.538 2.371 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CC(=O)N(C)C[C@H]1C 1359329301 FAUFQGYRUMUSDT-CYBMUJFWSA-N 455.943 2.005 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1359330707 AIHRXFZGAFYIFU-UHFFFAOYSA-N 481.504 2.485 30 10 JEEE CC(C)[C@@](C)(CNC(=O)OC(C)(C)C)NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1465206231 ARCRPMNQRIRPQT-OAQYLSRUSA-N 452.577 2.171 30 10 JEEE C=C(C)[C@H](NC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)c1ccc(F)c(F)c1 1467263233 VLNRJHQXNQZPGD-FQEVSTJZSA-N 451.495 2.379 30 10 JEEE C#CCN(C)c1nnc(CCOc2ccccc2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1507620751 KLELJUYCKIFSLO-UHFFFAOYSA-N 450.543 2.224 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1CC(CC)(CC)OC)[C@H]1CCS(=O)(=O)C1 1507635607 UIMSNADBHSGUHN-SFHVURJKSA-N 465.645 2.466 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccn2C)n1CC(=O)N1CCN(c2ccccc2)CC1 1507666367 GZNNZOUWBWGBCL-UHFFFAOYSA-N 455.566 2.095 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@]2(C)CN(C)C2=O)CC1 1507736902 UVNCRQZQCOJQIW-NSYGIPOTSA-N 482.560 2.001 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2CC2CCN(CCN(C)C)CC2)CC1 1507739350 GDHLPUMXEOTHBW-UHFFFAOYSA-N 497.713 2.170 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@]2(O)CCO[C@H]2C)CC1 1507739632 DUFCCKIQFCXVEJ-XDHUDOTRSA-N 487.988 2.016 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CCS(=O)(=O)Cc2ccccc2)CC1 1507742609 MFWSQMPVHBHOPO-UHFFFAOYSA-N 485.654 2.448 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(CCOC)C(=O)C1 1507804027 JJSQMCJEAJEEMS-GAJHUEQPSA-N 475.540 2.423 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCN(C(=O)N(CC)CC)CC2)nnc1[C@]1(OCC)CCOC1 1507810720 LRZOQUUXRDCZMT-WATLYSKOSA-N 490.649 2.495 30 10 JEEE C=CCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1507959208 JYTKLZJFQVOYDD-UHFFFAOYSA-N 458.588 2.270 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@@H]1C[C@H](OCC)C1(C)C 1508083871 DIKHWJBJVKGHJY-MOPGFXCFSA-N 451.575 2.459 30 10 JEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C)(c2nc(C)no2)CC1 1508160884 JBZYPDVJQDJXCU-MRXNPFEDSA-N 466.633 2.349 30 10 JEEE CCOC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCO[C@@H](C(=O)NC)C2)CCCC1 1516239459 BYUZLHJXANOEDT-HXUWFJFHSA-N 468.558 2.029 30 10 JEEE COC(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N2CCCCC2)C1 1517678914 AUFAOBJKRXSPBA-LJQANCHMSA-N 466.542 2.131 30 10 JEEE CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N3CCCc4c(C#N)cccc43)cc2)CC1 1527653683 OZEWUZIODHXIFT-UHFFFAOYSA-N 452.536 2.004 30 10 JEEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1539089754 QQESZNZUOHDWDB-QGZVFWFLSA-N 469.546 2.069 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC1(N(C)C)CCCC1)[C@H]1CCS(=O)(=O)C1 1539216216 PHCPDJVUZHLODV-IBGZPJMESA-N 456.616 2.150 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H](OC)c1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 1539216286 PXVRLVPSWKCFHP-VQTJNVASSA-N 489.001 2.346 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCN(C)[C@@H](C)CC 1539268274 LNUFBRVUGIIUEH-PMACEKPBSA-N 458.607 2.390 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC2(S(C)(=O)=O)CCCC2)CC1 1539436192 NAMBAYDDUMZXFY-UHFFFAOYSA-N 463.007 2.106 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2C[C@@](C)(O)CCOC)CC1 1539446152 SCTOLSGJGQGHEE-DEOSSOPVSA-N 450.543 2.143 30 10 JEEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1539504537 JIZUMGQYBRZCLN-UHFFFAOYSA-N 462.023 2.007 30 10 JEEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1539506321 JNTMDKRMBLBPTF-UHFFFAOYSA-N 472.578 2.004 30 10 JEEE C=CC[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C)C1)c1ccccc1 1539948850 SLQITRAPCBLHIC-CEWLAPEOSA-N 475.615 2.196 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nnc(C)s1 1540133604 LWEWGRVONOQOEO-GOSISDBHSA-N 489.627 2.012 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H](c2ccnn2C)C1 1540875355 JCOINOPLERYUOY-KRWDZBQOSA-N 453.522 2.416 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCCN(C(=O)c2ccccc2)CC1 1540900767 HDPZHENHMRLNFE-UHFFFAOYSA-N 480.594 2.293 30 10 JEEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 1540913112 IQTAIXLKBVDCAM-FPOVZHCZSA-N 486.690 2.415 30 10 JEEE CC[C@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cnccn2)CC1 1545689740 HRWFLLPQFKBPFV-SFHVURJKSA-N 459.558 2.238 30 10 JEEE N#Cc1cn(CC(=O)N2CCCC[C@@H]2C(=O)Nc2ccc(Cl)cc2Cl)c(=O)nc1O 1565615604 HLWPEDOXNWKPSA-OAHLLOKOSA-N 450.282 2.147 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCc1cnc2c(Cl)cnn2c1 1588099454 NLLGKEKYLIKHPS-UHFFFAOYSA-N 493.980 2.360 30 10 JEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@](C)(O)c1ccccc1 1588139092 LMCQTZSCFUTJSK-SANMLTNESA-N 455.566 2.433 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(C(=O)N3CCCC3)n2C[C@H]2CC[C@H](C)C2)n1 1588694715 CCQLUWCCTDUHKO-PMACEKPBSA-N 453.591 2.433 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)N2CCC[C@@H](C)C2)CC1 1588884714 KYWKDXGZEYJZEA-UXHICEINSA-N 492.628 2.012 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC2(O)CCCC2)CC1 1588907401 BEJYTDOPNWTNPI-UHFFFAOYSA-N 467.570 2.233 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCn1cnnn1 1589208236 YPWMFYLBKFQXBX-FDDCHVKYSA-N 469.594 2.462 30 10 JEEE C=CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1594733669 XBHZQYKJBDYDEM-ROUUACIJSA-N 498.650 2.071 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)N2CCCC2)n1CC1(S(C)(=O)=O)CC1 1595119862 HVFHHCUPQJRWNY-UHFFFAOYSA-N 461.563 2.423 30 10 JEEE C=CCN(CC=C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@]1(O)CCO[C@H]1C 1595179116 YNPVLGQHOCUHRG-HTAPYJJXSA-N 460.604 2.265 30 10 JEEE CCOC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CCC2)C1 1616014388 AQLFDRNAMBXLPV-LJQANCHMSA-N 486.598 2.499 30 10 JEEE C#CCOc1ccc(CNS(=O)(=O)[C@@H]2CN(C(=O)OCc3ccccc3)C[C@H]2OC)cc1 1622151960 KAVZIHIEWJWUEJ-FGZHOGPDSA-N 458.536 2.154 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1629918814 LGSKMNMGPVMKLH-HAGHYFMRSA-N 462.591 2.362 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCNC(=O)C(C)C 1649538803 HLDUCBPLOXUGAT-MRXNPFEDSA-N 459.620 2.167 30 10 JEEE CCC[C@@H](C)C(=O)NCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@](F)(C#N)C1 1649622175 CWWUBDYXCIWBPV-ZHRRBRCNSA-N 476.578 2.343 30 10 JEEE COCCc1ccc(OC[C@@H](O)CNS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)cc1 1663088805 GSRLBOYAZOHDIZ-INIZCTEOSA-N 458.458 2.484 30 10 JEEE Cc1nsc(N2CCN(C(=O)Nc3ccc(F)c(S(=O)(=O)N(C)C)c3)CC2)c1C#N 1671258184 DOSOXGMHBWDPQA-UHFFFAOYSA-N 452.537 2.067 30 10 JEEE C#CCN(C(=O)Nc1ccc(C)c(Oc2ccnc(C(=O)NC)c2)c1)[C@@H]1CCS(=O)(=O)C1 1675051216 WBPWIBDGMBNTRI-QGZVFWFLSA-N 456.524 2.196 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1Cc1nccs1)[C@H]1CCS(=O)(=O)C1 1689982935 XMEURFCPWGQMOT-INIZCTEOSA-N 473.580 2.094 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](c1ccccc1Cl)N(C)C 1690032691 HFBAMESFBBLQEF-FXAWDEMLSA-N 477.034 2.308 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCC2CCN(CC)CC2)CC1 1690136395 CZZDEHLRQAPTNW-UHFFFAOYSA-N 492.628 2.013 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C)N(Cc2ccccc2)CC1 1690288171 LFALDDSCCOEUBM-IFMALSPDSA-N 488.658 2.288 30 10 JEEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1690451887 SHVAQGKFQXDLJA-QYWGDWMGSA-N 468.624 2.348 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCN(c2ccccc2F)C1 1690622325 MYFLXYRRVAJAQT-MOPGFXCFSA-N 477.606 2.485 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)CCC(=O)NC 1690719407 LRTWUDBSEUJQLK-UHFFFAOYSA-N 460.387 2.425 30 10 JEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cnn(-c2ccccc2)n1 1690745022 WIKONIJMXLPVIO-KRWDZBQOSA-N 473.628 2.317 30 10 JEEE Cc1ccccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H](N1CCOCC1)C(F)(F)F 1693248646 HSLNBQJETTXAHG-WMZOPIPTSA-N 450.465 2.245 30 10 JEEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N(CCC#N)CC3CC3)n2C[C@H]2CCCCS2)C1 1698312426 HAKGJUTUVNPQEJ-QZTJIDSGSA-N 468.649 2.027 30 10 JEEE CS[C@H](C)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1698344232 CKCKWKJOPCFQOR-MRXNPFEDSA-N 457.579 2.489 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2CCCC(=O)NC2CC2)c1 1705505687 RQETUOANTVAZNU-UHFFFAOYSA-N 457.538 2.455 30 10 JEEE C#CCN(C)c1nnc(-c2cc(OC)cc(OC)c2)n1CCNS(=O)(=O)c1ccc(C)s1 1705544587 WLMKTWJKXGCKGP-UHFFFAOYSA-N 475.596 2.380 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@@]2(O)CCO[C@H]2C)CC1 1705652940 SORLTVPVOJSIRR-DFBJGRDBSA-N 483.638 2.385 30 10 JEEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1705692385 IMHIYIAPQLJXDS-HUUCEWRRSA-N 460.398 2.043 30 10 JEEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1705762293 UCGSGKKKFXZZRV-BQFCYCMXSA-N 463.970 2.152 30 10 JEEE C=CCN(CC=C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1CCS(=O)(=O)C1 1705870742 WVFHPKQOJCTSFO-QGZVFWFLSA-N 478.644 2.160 30 10 JEEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CCOC)[C@H](CC)C1 1705890691 COVABKDSEHZOTR-RTBURBONSA-N 464.611 2.320 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(C(C)C)CC1 1705902568 HJVTYSIBXAPMKE-LJQANCHMSA-N 475.638 2.225 30 10 JEEE CCOc1ccc(O[C@H](C)c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@]2(O)CCN(C)C2)cc1 1710537289 BOKSFJXKZRYPEO-VSDWSMLSSA-N 458.538 2.325 30 10 JEEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1Cc1cccc(COC)c1 1710734431 CLMVKINRXCVVOO-SFHVURJKSA-N 462.558 2.386 30 10 JEEE C#CCN(c1nnc(-c2ccccc2F)n1CCN1CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1722361269 GPOJMIZMPKVCEV-MOPGFXCFSA-N 459.591 2.443 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCCN1C[C@H](C)C[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1722361850 QLKUEJRZAKVWDH-VAMGGRTRSA-N 458.632 2.268 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H](SC)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1722370328 NEKINQBVWJVJDE-VJANTYMQSA-N 484.688 2.407 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2(OC)CCCC2)CC1 1722444342 XMZOFHVCCHAEDV-UHFFFAOYSA-N 499.637 2.274 30 10 JEEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(c2ncc3n2CCCC3)CC1 1722529130 PAZCGCXFXZCKQF-GOSISDBHSA-N 491.662 2.398 30 10 JEEE C=CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CC[C@]2(CCOC2)O1 1722678923 HXJWHGDPKBNIOO-WMZHIEFXSA-N 476.599 2.326 30 10 JEEE C=CCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1722687598 OYFMZBRJCJHTSB-QFIPXVFZSA-N 451.619 2.133 30 10 JEEE C=CCOc1ccc(Cn2c(Cc3cccnc3)nnc2N2CCN(C(=O)COC)CC2)cc1 1722704671 MQNUJCFAVGWUQC-UHFFFAOYSA-N 462.554 2.172 30 10 JEEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 1722736816 JNZQGHJRRWPGOX-UHFFFAOYSA-N 456.616 2.359 30 10 JEEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCCN1CCC(C)CC1 1729069141 DPXNUJFEURMJPI-HXUWFJFHSA-N 467.622 2.313 30 10 JEEE Cn1ccc(CCn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CCO[C@@H](C#N)C2)n1 1729581037 ADIRRXCXNOWYBM-ROUUACIJSA-N 456.551 2.055 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2CCC2(F)CCC2)c1 1740562892 RZYHRTGDDDZFNQ-INIZCTEOSA-N 476.578 2.227 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccc(C)n3)n2CC[S@](=O)CC)c1 1740563353 TWDMKXKCWJDCSX-JGCGQSQUSA-N 450.568 2.473 30 10 JEEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 1740598349 NLAODJDEPFQTOU-VCHRRKICSA-N 486.661 2.232 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCC1=CCc2ccc(OC)cc21)[C@H]1CCS(=O)(=O)C1 1740616299 YFHJHNYFXXAJNQ-FQEVSTJZSA-N 497.621 2.081 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CC1(OCC)CCCC1)[C@@H]1CCS(=O)(=O)C1 1740624775 ALZRQLRBPOJVBX-RTBURBONSA-N 450.605 2.496 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CCSC(C)C)[C@@H]1CCS(=O)(=O)C1 1740628011 MICUGIDQPAKVLY-LJQANCHMSA-N 473.624 2.497 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCN(CC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1740628691 SOPPGUKUVVNLHQ-NJDAHSKKSA-N 477.675 2.308 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CC(=O)N(C)C2CCCCC2)CC1 1740704050 GUIAFGOAEBVEQK-UHFFFAOYSA-N 465.602 2.041 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC)n2C[C@H](c2cccc(C)c2)N2CCOCC2)CC1 1740705852 NFVBNRWAVZTCAX-HSZRJFAPSA-N 464.614 2.188 30 10 JEEE C#CCSCCn1c(N2CCC[C@H](C(=O)NC)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740724117 XVQWJKBWOMXNBI-OKZBNKHCSA-N 476.647 2.378 30 10 JEEE C=C(Br)Cn1c(N2CCCN(CC)C(=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1740748991 NZYLQQRFWFDNBZ-IBGZPJMESA-N 456.385 2.286 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 1740792287 GWAQXHZFEFYKBS-QUCCMNQESA-N 458.607 2.297 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(CC(=O)N(C)C)CC1 1740844120 WKLIMKFLDKADMO-MRXNPFEDSA-N 454.641 2.185 30 10 JEEE C=CCCOCCn1c(C2CC2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1740885271 CEJYXHBGEZXFNU-UHFFFAOYSA-N 452.606 2.024 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCO[C@H](c2nccs2)C1 1740953729 PHMBZAYNJHIOJI-SFHVURJKSA-N 470.555 2.299 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Br)cc2)nnc1N1C[C@H](C)O[C@H](COC)C1 1740963257 FRDIXBSUTZKXNM-YJBOKZPZSA-N 494.390 2.162 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN([C@@H](C)c2nccs2)CC1 1740989575 RLQDQIASFMSILY-KRWDZBQOSA-N 475.644 2.224 30 10 JEEE CCOc1ncccc1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@H](C#N)C1 1746894349 HHQBVPZUHHDNMF-LJQANCHMSA-N 481.944 2.432 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CNC(=O)c3cccs3)n2C[C@H](C)N(C)C)c1 1748694935 UUJSFQBWXOKXLH-KRWDZBQOSA-N 479.610 2.276 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCCN(CC)CC)[C@@H]1CCS(=O)(=O)C1 1748810046 RJQKIISBUCKWNL-OAQYLSRUSA-N 454.600 2.175 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H](C(C)C)N1CCOCC1 1748842201 GVDUFAYVDBTLAY-NRFANRHFSA-N 459.554 2.024 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCCO[C@@H]2CCOC2)CC1 1748977772 CKGRTZRSDBUOSS-HXUWFJFHSA-N 461.513 2.497 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)ccc3Br)n2CCOCCN(C)C)CC1 1748979925 SRADMAMEXCVACV-UHFFFAOYSA-N 491.434 2.050 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2CC[S@@](=O)C(C)(C)C)CC1 1749017044 UFRSJDJZVGDRSJ-UUWRZZSWSA-N 485.654 2.391 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2nc(CC)ns2)CC1 1749115511 RUEARYPFHKBUDL-WMZOPIPTSA-N 474.635 2.138 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](Cc2ccccc2)OC)CC1 1749342760 NTRFJIWKVILTJP-FCHUYYIVSA-N 489.642 2.271 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ccc(OC)c(F)c2)CC1 1749342765 NUKCPHGPLVOYQA-OAQYLSRUSA-N 493.605 2.404 30 10 JEEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 1749454930 MPMAIZRMJLGWEZ-UHFFFAOYSA-N 483.598 2.229 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCN2C(=O)OC[C@H]2C1)C(C)C 1749557930 OKVKXQCSQBLCAE-UXHICEINSA-N 454.579 2.018 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCN(C(=O)OC)CC1 1749651210 PQKMVLJJOSVAKG-QGZVFWFLSA-N 472.546 2.007 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC(NC(=O)c2ccccc2C)CC1 1749670525 SNERHIVIFFVUPI-IBGZPJMESA-N 466.586 2.182 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2Cc2cnn(C)c2C)C1 1749696190 QIILOFMCZBIHDR-HXUWFJFHSA-N 485.614 2.067 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1749726095 XKNMZCSNVDFXON-AOMKIAJQSA-N 477.562 2.017 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ncnn1C(C)(C)C 1760117759 SVFDHAYZJTZFJG-DLBZAZTESA-N 472.594 2.439 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Oc1ccc(Cl)cc1 1760118094 XYHBLAGLTAOOSG-FCEWJHQRSA-N 482.006 2.190 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[C@H]2CCO[C@H](C)C2)c1 1760128510 KMTUGMGCRNLANI-HLAWJBBLSA-N 499.637 2.442 30 10 JEEE C#CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)CC(=O)NC(C)(C)C 1760135046 GWWKVAUHGYOJAW-UHFFFAOYSA-N 459.620 2.393 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@](C)(OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1760182681 IHEMARJFPRPSCJ-YADARESESA-N 488.610 2.404 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1CCCOc1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 1760183637 CJTXHGTZAOWQAV-IBGZPJMESA-N 481.578 2.445 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1ccc(COC)cc1)[C@H]1CCS(=O)(=O)C1 1760186964 BNRRZZKRNGYTOK-NRFANRHFSA-N 451.552 2.162 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CCc1ccccc1OC)[C@H]1CCS(=O)(=O)C1 1760189662 KRBIITCSAZRDDY-NRFANRHFSA-N 465.579 2.142 30 10 JEEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1C[C@@](C)(O)CCC(C)C)[C@H]1CCS(=O)(=O)C1 1760190302 PBVCOKSXJCCXFQ-OFVILXPXSA-N 498.653 2.331 30 10 JEEE C#CCN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cccnc1N1CCOCC1 1760227444 FIKJTVDYDIMEHY-XMMPIXPASA-N 454.575 2.058 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H](CC)N1CCCC1 1760247640 JDEBBOPSNRYDEF-LJQANCHMSA-N 463.586 2.152 30 10 JEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](CC(C)C)NC(=O)OCC)CC1 1760261435 RKQJYHWLTQNEQC-OAQYLSRUSA-N 470.622 2.056 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCC(=O)NC(C)C)CC1 1760266025 OGVPVARALVUQDF-SFHVURJKSA-N 484.576 2.438 30 10 JEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(O)(Cc2cccc(C)c2)CC1 1760281583 UJVKAARKCIXECU-HXUWFJFHSA-N 453.612 2.478 30 10 JEEE C=C(C)CN(CC)c1nnc(C(=O)N2CCCC2)n1CCNS(=O)(=O)c1ccc(C)s1 1760328808 FGEYXPSDRTWHFU-UHFFFAOYSA-N 466.633 2.265 30 10 JEEE C=C(Cl)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1760368754 MKYTUZZSFMIWQY-OAHLLOKOSA-N 459.938 2.395 30 10 JEEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1760421864 CFOXDTHRKVQCJA-HUUCEWRRSA-N 452.547 2.317 30 10 JEEE C=CCCOCCn1c(C(C)C)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1760445604 PWZLSKBLJRAPBS-KURKYZTESA-N 483.635 2.121 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(OC)c(Cl)c2)C1 1760535808 XMDHYGGAJIBTBX-GOEBONIOSA-N 469.995 2.380 30 10 JEEE C[C@@H]1CCC[C@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1762832421 GOQQKFVADWCVAK-FPGHNAPASA-N 486.642 2.476 30 10 JEEE CCOC(=O)c1ccc(N2C[C@@H](C(=O)Nc3c(C#N)nnn3-c3cccc(N(C)C)c3)CC2=O)cc1 1870150284 BBZBEYFNBGWJSI-KRWDZBQOSA-N 487.520 2.373 30 10 JEEE C=CCN(CC=C)c1nc(=NCCc2ccc(S(N)(=O)=O)cc2)[nH]c(=Nc2ccc(C)c(F)c2)[nH]1 1871578586 LBFAGVBQTISOLR-UHFFFAOYSA-N 497.600 2.387 30 10 JEEE COc1cc(/C=N/n2c(CNC(C)=O)nnc2SCC(N)=O)ccc1OCCCc1ccccc1 1874432412 FBJDZVOEHXNUAJ-MZJWZYIUSA-N 496.593 2.394 30 10 JEEE CC(C)N1C(=O)CS[C@@H](C(=O)N2CCN(C(=O)C3CCC3)CC2)[C@@H]1c1ccc(C#N)cc1 1890599904 LCZALXVNYCQHBK-FCHUYYIVSA-N 454.596 2.423 30 10 JEEE CC(C)N1C(=O)CS[C@H](C(=O)N2CC[C@@H](Oc3ccc(N(C)C)nn3)C2)[C@@H]1c1ccc(C#N)cc1 1891350498 IKDZHKJBVWEYIC-YGOYIFOWSA-N 494.621 2.488 30 10 JEEE COc1cc(Cn2cccc(C(=O)N3CCN(c4ncccc4C#N)CC3)c2=O)cc(OC)c1 1892349116 AMRLRJYQKQYJIS-UHFFFAOYSA-N 459.506 2.143 30 10 JEEE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCC=CB1OC(C)(C)C(C)(C)O1 1991335035 YDOBKIPOOYKOEQ-UHFFFAOYSA-N 462.377 2.416 30 10 JEEE N#C[C@@H](C(=O)CCNC(=O)C=Cc1ccco1)c1nnc(N2CCOCC2)n1-c1ccccc1 2040892066 RDHZZNNVQUJAQY-FQEVSTJZSA-N 460.494 2.093 30 10 JEEE CC1(C)OB(c2cccc3c2CCCN3S(=O)(=O)CCN2C(=O)c3ccccc3C2=O)OC1(C)C 2088783557 FBMNAZAMXSAOKR-UHFFFAOYSA-N 496.394 2.364 30 10 JEEE COC[C@]1(C(=O)N2C[C@H]3[C@H](B4OC(C)(C)C(C)(C)O4)[C@H]3C2)CN(C(=O)OC(C)(C)C)CCO1 2180983478 CWHASANHPNRJNA-HGFRQNNFSA-N 466.384 2.190 30 10 JEEE CC1=C(B2OC(C)(C)C(C)(C)O2)CN(C(=O)CN2CCN(C(=O)OC(C)(C)C)CC2=O)CC1 2201802040 IDMYEVOBPRKSFU-UHFFFAOYSA-N 463.384 2.246 30 10 JEEE CO[C@@H]1[C@H](OC)CN(C(=O)OC(C)(C)C)[C@@H]1COc1ncccc1B1OC(C)(C)C(C)(C)O1 2241093370 QONUWFYTMKWHMU-KURKYZTESA-N 464.368 2.409 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](C(=O)N1CC(CB2OC(C)(C)C(C)(C)O2)C1)[C@@H](O)C(F)(F)F 2254157313 FAZGZPHGRYCHRR-CHWSQXEVSA-N 452.279 2.354 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2CO)C1 2255200446 HSPFDTDILHJNOC-YOPALGQTSA-N 451.564 2.027 30 10 JEEE Cc1sc(C(=O)NC[C@@H](O)CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1C 2255602515 UHJVCESYTYMPRB-CQSZACIVSA-N 454.398 2.280 30 10 JEEE Cn1nc(C(=O)N[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2255819794 GXAYHUWJMSAELE-TXEJJXNPSA-N 454.764 2.158 30 10 JEEE C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccc(B2OC(C)(C)C(C)(C)O2)s1 2256622162 CWJDFRLOQVHBMV-XJKSGUPXSA-N 454.398 2.280 30 10 JEEE CN(C(=O)OC(C)(C)C)[C@H]1COC[C@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2256624968 ZKAGURRONBAAQV-OLZOCXBDSA-N 453.370 2.263 30 10 JEEE CC(C)(C)OC(=O)NCc1ccc(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)o1 2256625275 UOVLGHWYJFFUBH-UHFFFAOYSA-N 450.326 2.129 30 10 JEEE CN(Cc1csc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)[C@@H](CO)CNC(=O)OC(C)(C)C 2256676476 XSEPVEQGFBNRDS-OAHLLOKOSA-N 454.398 2.139 30 10 JEEE CN(Cc1csc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C 2256677401 DABZGHPGTXCBIZ-OAHLLOKOSA-N 454.398 2.281 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1CN2S(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2267371939 HNFGUUZQPPZPGB-HOTGVXAUSA-N 464.393 2.368 30 10 JEEE C[C@H](CNS(=O)(=O)c1c(F)cc(F)cc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2267472649 TUDUECQFYMOWPT-GFCCVEGCSA-N 476.351 2.456 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CC[C@H]1NS(=O)(=O)Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2267473529 HGEUEHHFXCCVBQ-ZWKOTPCHSA-N 466.409 2.461 30 10 JEEE CC1(C)OB(c2cc(F)ccc2S(=O)(=O)N(CCC(N)=O)Cc2ccccc2)OC1(C)C 2267475276 IGSJNRMZZZKQQX-UHFFFAOYSA-N 462.352 2.191 30 10 JEEE CO[C@@H]1C[C@H](CNC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)N(C(=O)OC(C)(C)C)C1 2267547508 LQTRTNYAGJKBCM-ZIAGYGMSSA-N 467.397 2.197 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2269700175 SDEXYOHEUXOQAR-KRWDZBQOSA-N 452.332 2.017 30 10 JEEE C[C@@H]1C[C@@H](CNC(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2281808827 DROGREFUSDTILE-CVEARBPZSA-N 462.400 2.485 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2CO)c1 2282125393 WIBZQMXRFLFVEG-KRWDZBQOSA-N 460.380 2.348 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)c3ncncc3B3OC(C)(C)C(C)(C)O3)C[C@]2(C)C1 2282188236 SQEHAOSULBDWPQ-NPMXOYFQSA-N 458.368 2.105 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@@H]1C[C@H]1NC(=O)OC(C)(C)C 2282494359 YQBFSVGYHYKPSB-GOEBONIOSA-N 482.408 2.186 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCCOCCN(C)C(=O)OC(C)(C)C)n1 2282551203 BOACKUADLHNJRH-UHFFFAOYSA-N 463.384 2.303 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CC[C@@](C)(NC(=O)C(F)(F)F)C1 2282551294 IRHWVWUMTBEYRA-HXUWFJFHSA-N 456.270 2.278 30 10 JEEE Cc1cc(C(=O)N2CCC[C@](CO)(NC(=O)OC(C)(C)C)C2)oc1B1OC(C)(C)C(C)(C)O1 2282583686 MYCZPYNGOTULQZ-QHCPKHFHSA-N 464.368 2.379 30 10 JEEE Cc1cc(C(=O)N=c2[nH]nc(CNC(=O)OC(C)(C)C)o2)ccc1B1OC(C)(C)C(C)(C)O1 2282683343 BXBFROQQAPLWNW-UHFFFAOYSA-N 458.324 2.376 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NCc1c[nH][nH]c1=NC(=O)OC(C)(C)C 2282684186 NOTAFGQVORBWER-UHFFFAOYSA-N 459.356 2.229 30 10 JEEE COCCOCCN(Cc1ccccc1)S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282830088 PAQCCIFZDMIWFC-UHFFFAOYSA-N 476.404 2.235 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H](NC(=O)c3nccnc3B3OC(C)(C)C(C)(C)O3)C[C@H]1C2 2283069413 PAHUFHQEPONESL-HRCADAONSA-N 458.368 2.294 30 10 JEEE C[C@@H](NC(=O)CN1CCN(C(=O)OC(C)(C)C)CC1)c1nscc1B1OC(C)(C)C(C)(C)O1 2283953544 UTYBWBQJPVEWMS-OAHLLOKOSA-N 480.440 2.172 30 10 JEEE Cn1c(C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)cnc1CNC(=O)OC(C)(C)C 2283985404 ISTHIQLUMKMSFG-UHFFFAOYSA-N 457.340 2.391 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](C(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)OCC12CC2 2284148622 SUFRVHZIXDIAIZ-INIZCTEOSA-N 459.352 2.488 30 10 JEEE C[C@@H](OCc1ccccc1)[C@@H](NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1F)C(=O)O 2284474955 QPJWUJNHPCAUEG-RDTXWAMCSA-N 458.295 2.308 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@]1(C)CN(C(=O)OC(C)(C)C)CC1(F)F 2361545974 WWLJSNDETYPQSK-HXUWFJFHSA-N 470.326 2.094 30 10 JEEE CCn1cc(C(=O)N[C@H]2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2366675757 ZOIYDGYEYUITOE-JYJNAYRXSA-N 460.384 2.330 30 10 JEEE C=CCn1c(SCC(=O)c2c(N)n(Cc3ccccc3)c(=O)n(CC)c2=O)nnc1C1CC1 21990224 LGJUBAFMPMDJBU-UHFFFAOYSA-N 466.567 2.290 30 10 JEEE CN(C)c1ccc([N+](=O)[O-])cc1/C=N\Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1 59500559 BOEJFYGVYSYQJX-MOSHPQCFSA-N 478.487 2.036 30 10 JEEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCC[C@@H]2C(=O)N2c3ccccc3C[C@@H]2C)CC1 514363908 HRTNOHKULLIZJY-NNWRFLSQSA-N 452.599 2.217 30 10 JEEE C=CCN(CC(F)(F)F)C(=O)CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21 521807862 DZLPZCBAMOVUGU-UHFFFAOYSA-N 461.462 2.346 30 10 JEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC3CCCC3)c2)c(=O)n1C[C@H]1CCCO1 603990309 YCKTWSMENIWFAQ-OAQYLSRUSA-N 479.602 2.215 30 10 JEEE N#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](CO)C(=O)O 757403338 STJHEENAXLHHPL-LEWJYISDSA-N 451.479 2.149 30 10 JEEE CC#CC[C@H](CO)NC(=O)[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 757486933 SJJCLFYBBOCUPW-OPAMFIHVSA-N 450.491 2.259 30 10 JEEE C#CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1Cc1cccc(OCC(N)=O)c1 1286375441 YTNFKRDSAOTKAN-UHFFFAOYSA-N 482.585 2.374 30 10 JEEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@@]1(N(C)C)CCSC1)[C@H]1CCS(=O)(=O)C1 1286386581 DBDJMVQMJPCSBB-JTSKRJEESA-N 477.631 2.148 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H](C)N(C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1286398352 JGFUAJZGBFMNKG-HMXCVIKNSA-N 457.600 2.281 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1286459755 PKTWLNVMVJWRDM-LJQANCHMSA-N 482.610 2.169 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)CCCNC(=O)C1CCC1 1286546936 CDOJHCZBDLPFLF-VQTJNVASSA-N 458.607 2.238 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCS(=O)(=O)c1ccccc1 1286581518 KPJJQTXANKTWEZ-GOSISDBHSA-N 466.629 2.447 30 10 JEEE C=CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1286684843 LDKDYGWFGUPLAC-IBGZPJMESA-N 481.644 2.175 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC[C@@H](O)C1 1286746387 WRQHWTDQGZOXFO-VSKRKVRLSA-N 489.642 2.355 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1286815425 UQAIMMFTJUYWKW-HXUWFJFHSA-N 465.963 2.230 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@H](C)c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1300485065 WJCCTPXIAJSGFO-XZOYJPPVSA-N 490.601 2.500 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1([S@](C)=O)CCC1 1300509065 DTJYXIXAITWCSX-HKBQPEDESA-N 457.987 2.236 30 10 JEEE C#CCN(CC#C)c1nnc(CCc2ccc(OC)cc2)n1Cc1cccnc1N1CCOCC1 1300545583 SJAHGAIBDQCQLS-UHFFFAOYSA-N 470.577 2.425 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccc(OCC)c(OC)c2)CC1 1300685202 JICFFXBADJIGPU-VWLOTQADSA-N 469.586 2.141 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(Cl)c3)n2CCCN(CC)S(C)(=O)=O)CC1 1300688916 MPSKIBBRVLWDQI-UHFFFAOYSA-N 465.023 2.025 30 10 JEEE C#CCSCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1300770133 ODNYJSDNOJXJRS-IBGZPJMESA-N 454.600 2.396 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2OC)n1C[C@H]1CCCN1S(C)(=O)=O 1300809268 VWHANNLZJSUITD-AUSIDOKSSA-N 457.600 2.294 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2CC)n1CC1(O)CCS(=O)(=O)CC1 1300815861 CEKWBUAJQAPXQS-HSZRJFAPSA-N 472.611 2.351 30 10 JEEE C=C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC1 1301069765 DVWVRIAJCONMNQ-BWKNWUBXSA-N 474.650 2.418 30 10 JEEE C=CCCOCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(NC(C)=O)CC1 1301251445 DPONROPNJFQVDH-UHFFFAOYSA-N 451.531 2.292 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)NCC(F)(F)F 1301354784 JDPSRVDPYAGNOY-HNNXBMFYSA-N 489.495 2.190 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC(c2ncc3n2CCCC3)CC1 1301477762 DWCDMTBDMZUSNS-UHFFFAOYSA-N 482.633 2.416 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(=C)CC1 1301576068 RCBSVCDRJRSLOL-UHFFFAOYSA-N 450.586 2.106 30 10 JEEE CCCOc1ncccc1Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](C#N)C1 1313521008 GYQAHLZJAKUWKP-QGZVFWFLSA-N 467.555 2.230 30 10 JEEE COCC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(Cc2cscn2)CC1 1315966684 GPIBNJDRLTYYNI-QHCPKHFHSA-N 467.599 2.383 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCCN1CCC[C@H]1CO 1358885924 ULUNOSVNKALKNQ-PMACEKPBSA-N 477.613 2.370 30 10 JEEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H](C)CN1CCN(CC)CC1 1358941034 WHXXWPYDPHWURL-KRWDZBQOSA-N 462.440 2.389 30 10 JEEE C#CCN(C)c1nnc(-c2cc(OC)cc(OC)c2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1358941780 XXJNDYZRTUDULS-UHFFFAOYSA-N 466.542 2.286 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Cl)n1CC(C)(C)C(=O)NCC)[C@@H]1CCS(=O)(=O)C1 1358959497 JYGFXFJXGIYXCA-MRXNPFEDSA-N 478.018 2.388 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1CCNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1358964494 AARCHXSINOQHOG-KRWDZBQOSA-N 479.628 2.082 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1C[C@](C)(O)c1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 1358966719 VGIOLAGJUJQOSJ-JTSKRJEESA-N 463.003 2.418 30 10 JEEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1C[C@@H](F)COC)[C@@H]1CCS(=O)(=O)C1 1358967426 KETLQLLZFUQLOD-IAGOWNOFSA-N 470.954 2.122 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H]2CSCCS2)CC1 1359040404 SZECTRPGHQYSGF-GOSISDBHSA-N 478.688 2.011 30 10 JEEE C=C(Br)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1359087021 QHHMPNGQBIONCG-HXUWFJFHSA-N 495.447 2.479 30 10 JEEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 1359126847 AXNAEYCARGCFRP-MOPGFXCFSA-N 465.624 2.136 30 10 JEEE C=C(Cl)Cn1c(CC2CCCC2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1359154014 ASSZFORJEGJKGI-SFHVURJKSA-N 458.028 2.394 30 10 JEEE C=CCn1c(-c2c[nH]c3ccccc23)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 1359286402 OKXSKJCNQIBOAE-UHFFFAOYSA-N 458.588 2.489 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1359296944 ZNPGVOJDRIVBJU-SFHVURJKSA-N 468.583 2.199 30 10 JEEE C=C[C@H](C)NC(=O)NCCNS(=O)(=O)c1cc(Br)ccc1Br 1468605108 CHFSHRSFXVBAPK-VIFPVBQESA-N 455.172 2.364 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCC(C#N)CC2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1496789864 CNRQUEXPDYRZSG-QGZVFWFLSA-N 471.528 2.200 30 10 JEEE CNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1503694267 DPRSKRQYHBPSJA-UHFFFAOYSA-N 491.518 2.484 30 10 JEEE COc1cc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@@](C)(C#N)C2)ccc1C 1504093334 GBMXVRZOWUNUGB-REWPJTCUSA-N 488.614 2.106 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2Cc2cccn(CC)c2=O)c1 1507551388 XGWBYQOWKLTKQC-FQEVSTJZSA-N 460.538 2.068 30 10 JEEE C#CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1507563071 QZPGOQFMXFPLDV-UHFFFAOYSA-N 476.589 2.308 30 10 JEEE C#CCCCCn1c(Cc2csc(C)n2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1507567700 RGJQSGWLBRVQKE-UHFFFAOYSA-N 464.599 2.258 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1cn(CCCC)nc1C)[C@@H]1CCS(=O)(=O)C1 1507640077 OYBIVYVDOHAWCE-JOCHJYFZSA-N 498.657 2.120 30 10 JEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1CCC[C@@H](O)C1 1507641589 HTZJPGCHTJSCPZ-RBUKOAKNSA-N 454.600 2.171 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1c(F)cccc1N1CCCC1 1507652817 JGXOHIDXPPDSRU-GOSISDBHSA-N 455.559 2.041 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(Br)s2)n1CC(=O)NCC1CC1 1507707383 VZZQDEIMOHFBGG-UHFFFAOYSA-N 452.378 2.381 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCOC[C@H]1C 1507710179 CLLLTPUXCSRXES-AABGKKOBSA-N 477.606 2.345 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC2(C(C)C)CC2)CC1 1507718868 UBGKHZHZUXOIIQ-UHFFFAOYSA-N 470.643 2.387 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2C[C@@]2(O)CCO[C@H]2C)CC1 1507720897 JTPYDVYJSJCEBN-AOMKIAJQSA-N 490.402 2.011 30 10 JEEE C#CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1507755512 AGADSTLOIOELBX-LJQANCHMSA-N 452.584 2.409 30 10 JEEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(Cl)=C(Cl)C1 1507869860 ZMFAWNTUIROUAZ-CYBMUJFWSA-N 456.783 2.263 30 10 JEEE C=CCNC(=O)Cn1c(N2CC[C@@H](C)[C@H](OC)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1508097695 JXUZVKFOQMVCPU-ZJPYXAASSA-N 462.595 2.212 30 10 JEEE Cc1ncsc1CN(C)c1nnc(COc2ccc(C#N)cc2)n1CCN1CCCS1(=O)=O 1510479262 GKHQUQDYEJZLRT-UHFFFAOYSA-N 487.611 2.166 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C(=O)N2CCCCC2)cc1 1539015710 QZZUZBNVUADTHG-GHTZIAJQSA-N 469.611 2.313 30 10 JEEE C#CCN(c1nnc([C@@H](CC)c2ccccc2)n1Cc1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 1539206586 RRIMZFDLRSMMJL-SFTDATJTSA-N 452.584 2.229 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCOCc1ccccc1)[C@H]1CCS(=O)(=O)C1 1539219399 CDIYAUUUHUXQKJ-SFTDATJTSA-N 458.584 2.363 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCOCC)[C@@H]1CCS(=O)(=O)C1 1539230173 CDZFNSXZYKOAHZ-MSOLQXFVSA-N 481.619 2.013 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CC(F)(F)CO1 1539392279 NZNOOAVATDGYDA-SJLPKXTDSA-N 468.501 2.383 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCOc2cccc(F)c2)CC1 1539475586 IJGIUQRMHOKBGL-UHFFFAOYSA-N 450.518 2.468 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C[C@@H]2CCOC2)C1 1539751041 GKOKVPAVXDOOBW-SLFFLAALSA-N 452.621 2.416 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1540875533 OXNSWVFLDNPCOG-GKVSMKOHSA-N 498.584 2.271 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCC2CCCC2)C1 1540891962 CKPQNVQXIRGYQK-PMACEKPBSA-N 467.636 2.363 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC2(O)CCN(C(C)C)CC2)C1 1540896007 DFVBZPAAKYZEKJ-HBMCJLEFSA-N 463.623 2.019 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CCOC 1540902390 IFGNWQQQIPZRNZ-QGZVFWFLSA-N 471.624 2.076 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1540906833 CZDGWIKPLZWGAM-QGZVFWFLSA-N 453.609 2.277 30 10 JEEE CC(C)Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@@H](C(C)C)N1CCOCC1 1541472323 FGSXSZDDGWXIEO-UNMCSNQZSA-N 481.649 2.210 30 10 JEEE C[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)CC1(C)C 1544457390 FJHFRDHVUFTLBI-KRWDZBQOSA-N 460.604 2.493 30 10 JEEE C=C(C)[C@@H](NC(=O)CNS(=O)(=O)c1ccc(CNC(C)=O)s1)c1ccc(F)c(F)c1 1567780489 HKOZEWSYKQCVGC-LJQANCHMSA-N 457.524 2.374 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCc1cc(C(F)(F)F)ccn1)[C@H]1CCS(=O)(=O)C1 1588055272 UQGPTJJUYAKMAD-QAPCUYQASA-N 483.516 2.065 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1-n1nc(C)cc1C 1588384916 DHSQKZOOKSWLPK-FQEVSTJZSA-N 452.584 2.491 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H](C)CN1CCCCC1 1588628048 CXOINEMZPHEVAV-HXUWFJFHSA-N 477.613 2.400 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@]1(C)COCCO1 1588628186 FPXCAYDDWYJZBA-RUZDIDTESA-N 480.569 2.127 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H](C)Oc2ccccc2F)CC1 1588752822 WWWDYHZVDCOFEJ-YADARESESA-N 457.550 2.292 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCOCC(F)(F)C(F)F)CC1 1588969249 YZCZDMMNZOOEJY-OAHLLOKOSA-N 461.460 2.012 30 10 JEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCO[C@@H](c2ccccc2)C1 1588983663 BHRQFIVSDSKRDG-PKOBYXMFSA-N 463.629 2.223 30 10 JEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@](C)(c2ccccc2)C1 1588985966 XSRWKGJEUXQUTI-UWJYYQICSA-N 463.629 2.007 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCCCC2)nc1 1595302874 FXFSDVZQHZUKRR-FQEVSTJZSA-N 474.631 2.253 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN(C)Cc2ccc(F)cc2)C1 1595722541 KTGMDCQEEGYVRY-TZIWHRDSSA-N 477.606 2.233 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(S(C)(=O)=O)cc2)C1 1595745143 QDAUXSUYXQRPLR-HXUWFJFHSA-N 470.599 2.373 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC(=O)N(C)C[C@@H]1C 1595760745 RVIDLHCNNLMKSR-JKSUJKDBSA-N 482.006 2.339 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCN(Cc2ccsc2)CC1 1595812003 KDLGBXIOZMJVNG-UHFFFAOYSA-N 472.640 2.248 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@@H](C(=O)OC)C1 1595823865 TWHPFXZIQRUDQV-LJQANCHMSA-N 476.599 2.464 30 10 JEEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 1595878110 INOOYAYIZZGCMI-LJQANCHMSA-N 487.605 2.048 30 10 JEEE CCN(C)C(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1615134214 GFJLKEVXEZHCSI-LJQANCHMSA-N 493.593 2.197 30 10 JEEE CCN1CCN([C@@H](C)Cn2c(COc3cc(C)cc(C)c3)nnc2N2CCO[C@@H](C#N)C2)CC1 1615844294 DMXXGTOYYQDQJX-GMAHTHKFSA-N 467.618 2.229 30 10 JEEE C#Cc1ccc(S(=O)(=O)N2CCN(c3cnn(-c4ccccc4)c(=O)c3Cl)CC2)cc1 1661189350 KMYGYCHRAHFRFA-UHFFFAOYSA-N 454.939 2.378 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1690035803 KCRLTZKYHFGFGR-KRWDZBQOSA-N 477.537 2.291 30 10 JEEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2CCCN2C[C@H](C)O[C@H](C)C2)CC1 1690130825 NIIFZMXRJHZZQO-ZRZAMGCNSA-N 450.631 2.318 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H]2CCCN2CC)CC1 1690148466 IGCCUORNXDNRET-NRFANRHFSA-N 452.578 2.458 30 10 JEEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCO[C@@H](c2ccccc2)C1 1690300747 JIORKGGDAZBIQA-AZUAARDMSA-N 463.604 2.449 30 10 JEEE C=C(C)COCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1690307416 ZYICBDFJNSQZOH-NRFANRHFSA-N 450.543 2.237 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 1690309981 PQIWZKJLSZBEMQ-IBGZPJMESA-N 456.547 2.122 30 10 JEEE C=CCCOCCn1c(N2CCN3C(=O)N(C)C[C@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1690512473 YUXNTEQFOXRFNT-OTWHNJEPSA-N 489.621 2.198 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CCN(C(=O)NC)CC1 1690663176 OMFVQEIONQTZTK-UHFFFAOYSA-N 496.797 2.125 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1690669269 ZWAUIIYQJCIUMM-UHFFFAOYSA-N 458.448 2.322 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCCN(C(=O)c2cccc(Cl)c2)CC1 1690678013 IHEWMGQBWXVLIZ-LJQANCHMSA-N 472.977 2.438 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N(C)C[C@@H]1COc2ccccc2O1 1690724720 VFIWIDHSZIEXTH-QZTJIDSGSA-N 462.572 2.049 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CC[C@](F)(C#N)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1690732245 XTAYEVBLVQUDCN-MRUHUIDDSA-N 482.582 2.092 30 10 JEEE COc1ccccc1[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](C#N)C1)OC(C)C 1697545921 HANQHMXHIPLSHP-XLIONFOSSA-N 456.547 2.320 30 10 JEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(Oc2ncccc2F)CC1 1705509960 MBYBXXVQORGNNE-MRXNPFEDSA-N 464.567 2.274 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CC(C)(C)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1705561227 RIGWHCNEHBBPLQ-CQSZACIVSA-N 484.504 2.141 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1Cc1ccnc(OC(F)F)c1)[C@@H]1CCS(=O)(=O)C1 1705562682 HVLPWTCEBSUFKH-LJQANCHMSA-N 498.515 2.488 30 10 JEEE C#CCN(c1nnc(C2CCC2)n1CCOCC(F)(F)C(F)F)[C@H]1CCS(=O)(=O)C1 1705565936 KWUYRRNYJKOLFY-AWEZNQCLSA-N 452.474 2.089 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC1CCN(CC(F)(F)F)CC1 1705613415 ZOKOUURBLHWICH-QGZVFWFLSA-N 461.554 2.304 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2CCN2CCC[C@@H]2C)CC1 1705634313 REKHVUPQAWNXCH-KRWDZBQOSA-N 460.424 2.286 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCCCc2nc(C)cs2)CC1 1705643565 KRGLNFDTHYCVGG-UHFFFAOYSA-N 483.642 2.268 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2Cc2ccc(N3CCO[C@H](C)C3)nc2)CC1 1705644000 FHGCQMXAAHXUDL-WOJBJXKFSA-N 479.629 2.426 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCc2csc(C(C)(C)C)n2)CC1 1705651187 NBLCKTCZUKILDX-UHFFFAOYSA-N 497.669 2.363 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCN(C(=O)C(C)C)CC2)nnc1[C@]1(OCC)CCOC1 1705707533 MVUGLOPXTOGICL-SKPFHBQLSA-N 461.607 2.216 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(N2CCOCC2)c1 1705711067 ZLFPZTFZZJKYPI-SFHVURJKSA-N 462.620 2.176 30 10 JEEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(CC(=O)N2CCc3ccccc32)CC1 1705811316 VNMFLZQMAKZLHS-UHFFFAOYSA-N 465.602 2.094 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1noc(CC)n1 1705860009 MBZXVZKIHNPZEQ-LJQANCHMSA-N 481.582 2.433 30 10 JEEE C=CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1705886551 DLPLHOARKFVCQM-LJQANCHMSA-N 456.591 2.373 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(CN2C[C@H](C)O[C@H](C)C2)CC1 1705899525 WHIBCEZMEGXGAU-BGYRXZFFSA-N 477.613 2.445 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1705917163 QYLLWVYFBJOKTO-GDBMZVCRSA-N 499.435 2.099 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCCN(CCC)C(=O)C1 1705931250 KFFPNCYXMUFNFP-UHFFFAOYSA-N 461.588 2.003 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1705931710 YAHQWGBBZAUMAP-SIKLNZKXSA-N 489.642 2.102 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1705935438 RLJMFNHDQHPZSF-QGZVFWFLSA-N 481.569 2.053 30 10 JEEE Cc1ccccc1-c1nnc(N2CC[C@@](F)(C#N)C2)n1CCS(=O)(=O)N1CCSCC1 1707647289 CACMTRWCQKAUFO-HXUWFJFHSA-N 464.592 2.074 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H](c1cccc(OC)c1)N(C)C 1708756358 ARATXAMLCQBMKU-RTWAWAEBSA-N 469.590 2.237 30 10 JEEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2c(C)noc2C)CC1 1712492584 DMPULXKRDWFVMD-UHFFFAOYSA-N 465.558 2.345 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(OC)cc(OC)c2)n1CC1(O)CCN(C(C)C)CC1 1722375074 JQBGKYJJNIEQTR-UHFFFAOYSA-N 451.571 2.270 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(OC)ccc2Br)n1CCS(=O)(=O)CC 1722375106 JVIITYTXLODWKY-UHFFFAOYSA-N 465.373 2.224 30 10 JEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@](C)(OC)C1CC1 1722376099 KUESTQHPBYGHEB-HSZRJFAPSA-N 454.600 2.435 30 10 JEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cccnc1OCC 1722379807 ZAIPBZYXTYOSFR-UHFFFAOYSA-N 463.567 2.153 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2CCn2cc(Cl)cn2)CC1 1722449487 TUZADDXZBWANKL-UHFFFAOYSA-N 481.988 2.393 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCn2cc(Cl)cn2)CC1 1722450745 PZGGSFKDSUFNGF-UHFFFAOYSA-N 492.971 2.245 30 10 JEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1722452907 MDGHJWFFZPUYGI-UHFFFAOYSA-N 455.563 2.120 30 10 JEEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1722458363 ZWHFURKKQBLXOJ-GCJKJVERSA-N 467.643 2.004 30 10 JEEE C=C(Br)Cn1c(CNC(=O)c2cccs2)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 1722487001 HQSMPRUDWONLGJ-ZDUSSCGKSA-N 490.449 2.438 30 10 JEEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)NC2CCCCC2)CC1 1722523397 RMLYVWIQNZYSKX-QGZVFWFLSA-N 464.636 2.357 30 10 JEEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](C(=O)OC)C1 1722531450 RWKUDTBVMLJTDL-GOSISDBHSA-N 462.572 2.331 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCSC1(C)C 1722672606 VATGDOGFNJDOGI-SJORKVTESA-N 455.650 2.321 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(Cc2cc(C)no2)CC1 1722689993 CFGABRSGHCHZOK-SFHVURJKSA-N 483.548 2.478 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1722702645 OGJFMSOJXBWKDQ-SFHLNBCPSA-N 471.606 2.293 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C 1722867392 GDDQPAAOUHKTOH-IKGGRYGDSA-N 468.624 2.279 30 10 JEEE CC(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1723400061 IBBYMMCGUALAAB-UHFFFAOYSA-N 451.575 2.175 30 10 JEEE C#CCCCCn1c(CC2CCCC2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1740577030 PKBNDEGIOZCQFT-OAQYLSRUSA-N 463.648 2.445 30 10 JEEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1CC1(O)CCN(C(C)C)CC1 1740654955 UQJHHHZPONWKJR-UHFFFAOYSA-N 459.598 2.215 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCN1CCOC[C@@H]1C 1740684944 GJPMDNVOJULLIH-SFTDATJTSA-N 490.649 2.199 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2cccnc2OCC(F)(F)F)CC1 1740691890 BUMZPEAMCQWIAZ-JOCHJYFZSA-N 494.518 2.070 30 10 JEEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1740717796 APOPONRPXJILIW-MSOLQXFVSA-N 465.620 2.268 30 10 JEEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1740788615 XQIYVENFCVWVAC-LJQANCHMSA-N 487.626 2.436 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1740843751 PGLIWKVNELUEKR-GOSISDBHSA-N 476.651 2.224 30 10 JEEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCCCC2)C(=O)C1 1740858475 REIUUUSLYLKRQL-QGZVFWFLSA-N 452.625 2.226 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc(Cc2ccccn2)n1C[C@]1(O)CCS(=O)(=O)C1 1740918691 SGZNRZLLWPJACW-HSZRJFAPSA-N 453.568 2.006 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCN(c2nccs2)CC1 1740954453 MVYMUOUWPIAGPQ-UHFFFAOYSA-N 468.543 2.329 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@H](NC(=O)CC)C1 1740956853 SGHGJOGICAOYKX-INIZCTEOSA-N 460.966 2.404 30 10 JEEE C[C@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(CN2CCC(O)CC2)cc1 1741134445 AQUGUELCSCIJHU-LJQANCHMSA-N 465.602 2.001 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1Cc1ccnc(C(F)(F)F)c1 1741917111 BEDPGMJSPBTSBG-LBPRGKRZSA-N 457.482 2.090 30 10 JEEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](N1CCOCC1)C(F)(F)F 1747729987 AKTDBBJBOASQGX-MSOLQXFVSA-N 477.491 2.000 30 10 JEEE C#CCCCCn1c(CCc2ccccc2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1748725340 ZYRHAJYNWZCQQN-QHCPKHFHSA-N 485.654 2.498 30 10 JEEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(CC(N)=O)CC1 1748752076 RKKDJBWSDDZBIU-GOSISDBHSA-N 460.579 2.092 30 10 JEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1748790500 YZDRZAHNPZBCRG-IMWIBFENSA-N 475.590 2.384 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1748810039 REQANRKCXLEZAZ-GOSISDBHSA-N 476.599 2.139 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1CC[S@@](=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1748819413 OIGRIBUZANIYNT-WTPASJBYSA-N 480.631 2.182 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1CCCCN1CCOCC1 1748829028 RLLIIVQLEDKCHO-UHFFFAOYSA-N 459.392 2.231 30 10 JEEE C#CCN(CC#CC)c1nnc(CSc2ccc(Cl)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1748902439 OJJPSKMXEXGWGZ-OAQYLSRUSA-N 479.027 2.236 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C 1748929143 DSNHORYEVSSCNH-CEXWTWQISA-N 481.663 2.300 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2cccc(C(=O)N[C@H](C)CC)c2)CC1 1749010609 TZVFQTCKPVBALY-XXBNENTESA-N 492.624 2.324 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCc2cc(F)cc(F)c2)CC1 1749020539 XGRPKTVJVBLXBU-UGKGYDQZSA-N 487.551 2.489 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)OCC(C)C)CC1 1749114404 BRARFKYRFMSQPU-MOPGFXCFSA-N 462.595 2.312 30 10 JEEE C=CC1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CC(=O)NCC(F)(F)F)CC1 1749336804 VFCFNPYUUWNEIE-UHFFFAOYSA-N 475.475 2.273 30 10 JEEE COCc1cccc(Cn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@H](C#N)C2)c1 1749434742 DMJYVCVSEBPCQK-GOSISDBHSA-N 452.540 2.193 30 10 JEEE C=CCN(C)c1nnc(Cc2cn3ccccc3n2)n1CCc1ccc(S(N)(=O)=O)cc1 1749496260 LRGRMPQFDYTPLK-UHFFFAOYSA-N 451.556 2.029 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc(-c2cnccn2)n1CC1(C(N)=O)CCOCC1 1749546578 AXHHCQAUDWGVLI-UHFFFAOYSA-N 451.506 2.349 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@]1(C)COCCO1 1749552832 BNQOEIZVIXANHC-JXFKEZNVSA-N 452.602 2.240 30 10 JEEE C=CCn1c(N2CCN(c3ncccc3C(N)=O)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1749646352 PFCVQYOBDCBVCP-CALCHBBNSA-N 482.589 2.055 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1749657717 BPIUWJYIQWKHIS-QGZVFWFLSA-N 488.390 2.050 30 10 JEEE COCCN(CCC#N)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1COCCO1 1749830232 HAROTJRJUYLNAA-OALUTQOASA-N 478.594 2.174 30 10 JEEE C#CCN(C)c1nnc(Cc2ccccn2)n1C[C@@H]1C[C@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1760175106 WCPSIBONGIISCT-IHPCNDPISA-N 452.559 2.358 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2cccc(Cn3ccnc3)c2)CC1 1760273170 KGZRQDRNHZUNKM-UHFFFAOYSA-N 461.570 2.074 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCCCO2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1760356395 MOYWEIAJIQCJQF-FCHUYYIVSA-N 468.602 2.461 30 10 JEEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 1760432811 MXNOHPXFFHPMAI-HZPDHXFCSA-N 456.613 2.206 30 10 JEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](CN2CCCCC2)C1 1760450897 VFRXKYREBDHVHR-PMACEKPBSA-N 451.637 2.085 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCNC(=O)C1)C(C)C 1760490054 OXILVLKCLGUSPD-UGKGYDQZSA-N 466.586 2.425 30 10 JEEE C=CCNC(=O)Cn1c(N2CCc3c(cccc3OC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1760528518 FSGDGPFCOJFOMA-XMMPIXPASA-N 455.559 2.192 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)cc1 1760529962 MXFOTOVRCZXSID-MDZRGWNJSA-N 461.588 2.100 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccccc2N2CCOCC2)C1 1760534408 XWQCZMAYGSBLCH-FQEVSTJZSA-N 454.575 2.083 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2CCCS(=O)(=O)c2ccccc2)C1 1760544795 HJVVMGGJHCTKKR-GOSISDBHSA-N 454.556 2.380 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N(C)C[C@H]1CCOC1 1760551220 XNXQRGMAQZDQOD-CQSZACIVSA-N 472.409 2.120 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)ccc2C)nnc1N1CCN(C(=O)C(C)C)CC1 1760557513 NTSBMGOSNITPNW-UHFFFAOYSA-N 489.642 2.379 30 10 JEEE CC(C)NC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@@](C)(C#N)C1 1761267815 HJIOWGCSWAPHNH-QHCPKHFHSA-N 451.579 2.107 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CCCn1cnc2ccccc21 1761479667 ABNJBNYPDJIFOW-KRWDZBQOSA-N 470.603 2.458 30 10 JEEE C[C@](O)(Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(OCC(N)=O)CC1)c1cccs1 1761510226 FASGXAVHAXKGDP-QHCPKHFHSA-N 466.567 2.257 30 10 JEEE C[C@@H]1CN(C(=O)NS(=O)(=O)c2ccc(CCNC(=O)c3cccc(C#N)c3)cc2)C[C@@H](C)O1 1858987974 VNEGMBFFKZBJKE-IAGOWNOFSA-N 470.551 2.038 30 10 JEEE CCCCCCCCNC(=O)[C@@H](Cc1ccc(OC(C)=O)cc1)NC(=O)CCCNS(C)(=O)=O 1860928557 FPSKILNNPJBLSM-JOCHJYFZSA-N 497.658 2.445 30 10 JEEE Nc1cccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(S(N)(=O)=O)cc3)[C@@H]2c2ccc(O)cc2)c1 1862556162 QCJAQNUTKVWCQN-JOCHJYFZSA-N 493.541 2.443 30 10 JEEE C=CCn1cc(OCC(=O)N=c2nc3nc(C)cc(C)n3[nH]2)c(=O)cc1CN1C[C@@H](C)C[C@H](C)C1 1870429088 VJWWGQBBZWQMMA-IRXDYDNUSA-N 479.585 2.006 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)N[C@@H](C)CC)cn1CCN1C(=O)CSC1=O 1870525166 MWGXUAUKKJWSFG-KRWDZBQOSA-N 476.599 2.011 30 10 JEEE C=CCN=c1nc(Nc2ccc(OCc3ccccc3)cc2)[nH]c(N2CCN(CCO)CC2)n1 1871636293 ZAMYGNHSKMOEKY-UHFFFAOYSA-N 461.570 2.328 30 10 JEEE COc1ccc([C@H]2[C@@H](C(=O)N3CC(Oc4cccnc4C#N)C3)SCC(=O)N2C2CC2)cc1 1891435325 BYUKFBLLIRYSSG-GOTSBHOMSA-N 464.547 2.399 30 10 JEEE C=C(CS(=O)(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1COC)B1OC(C)(C)C(C)(C)O1 2255795873 YUWYAKYEZQWLEF-MRXNPFEDSA-N 460.402 2.072 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H]1NS(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2255950012 FODPSXDDVMWSKY-HZPDHXFCSA-N 452.382 2.320 30 10 JEEE C[C@@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2256628952 OPKVGGSTIWRECF-XJKCOSOUSA-N 454.398 2.499 30 10 JEEE CC(F)(F)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2256641415 ZZUFVINNAPIKJF-SNVBAGLBSA-N 462.328 2.136 30 10 JEEE CC(C)(C)OC(=O)NC[C@]1(F)C[C@@H](CNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2267139584 IMEJZGMMWMIULL-IPVJXJPOSA-N 452.336 2.082 30 10 JEEE CN(CC(C)(C)NC(=O)OC(C)(C)C)S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2267375652 JZYKCCGAPOUHDE-UHFFFAOYSA-N 469.413 2.305 30 10 JEEE CCc1nn(C)c(C(=O)N[C@H]2CC[C@@H]2NC(=O)OCc2ccccc2)c1B1OC(C)(C)C(C)(C)O1 2267508507 GFQCNPQNNFCOOD-OALUTQOASA-N 482.390 2.469 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@]1(NC(=O)OC(C)(C)C)CCOC1 2267527573 JMGOWNNWLFJAJW-OAQYLSRUSA-N 467.397 2.164 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@@H](C(=O)N3CCC(B4OC(C)(C)C(C)(C)O4)CC3)O[C@@H]2C1 2279910998 ACZBAWWRUQESDN-KSZLIROESA-N 466.384 2.475 30 10 JEEE Cc1c(C(=O)NC[C@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281800096 DZVMCMCFWVYJPN-JKSUJKDBSA-N 462.400 2.451 30 10 JEEE CC1(C)OB(c2n[nH]cc2C(=O)Nc2cc(F)cc(CNC(=O)C(F)(F)F)c2)OC1(C)C 2281931789 WNURYRFNICVGOD-UHFFFAOYSA-N 456.205 2.279 30 10 JEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2C[C@@H]3C[C@@H](OCc4ccccc4)C[C@H]32)n1 2281959761 QGJRJXUWTHNLFT-WJFTUGDTSA-N 452.364 2.228 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(C)C[C@H]1CCCN1C(=O)OC(C)(C)C 2282000177 LISHCXFNXSXGFS-MRXNPFEDSA-N 462.400 2.499 30 10 JEEE C[C@H]1C[C@@H](NC(=O)C(F)(F)F)CCN1C(=O)c1nn(C)c(Cl)c1B1OC(C)(C)C(C)(C)O1 2282040535 KKUGZHSULZTJJH-QWRGUYRKSA-N 478.708 2.044 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)C[C@@H]1CCO 2282182623 VCXJKICDWYBHKA-IBGZPJMESA-N 460.380 2.430 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)CC1(F)F 2282514391 CCVAPCSBPCXIDT-CQSZACIVSA-N 470.326 2.094 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@H]2CCN(C(=O)c3coc(B4OC(C)(C)C(C)(C)O4)c3)C[C@@H]21 2282531916 POTLKZDLZXDJQE-DLBZAZTESA-N 462.352 2.429 30 10 JEEE Cn1cc(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 2282553967 WTSWSUJYVVZUDW-HDEZJCGLSA-N 460.384 2.141 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C2(CC1)CC2 2282649180 XIMFTBOTZQLEJT-UHFFFAOYSA-N 458.368 2.391 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2[C@H]1NC(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2282650090 IFLILIIQBVQHHM-NQYYFHDYSA-N 458.364 2.396 30 10 JEEE CC(C)(C)OC(=O)N1CC(N(C(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)C2COC2)C1 2282671190 QPQQIJGITKMYAH-UHFFFAOYSA-N 458.364 2.446 30 10 JEEE COc1ccc(S(=O)(=O)NOCCCNC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2282883108 VWRKPQGPRFCXFP-UHFFFAOYSA-N 486.396 2.119 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CN(c3ccc(N)c(B4OC(C)(C)C(C)(C)O4)c3)C[C@H]2[C@H]1CO 2283032259 RHLBLEVQVJCKGH-XAUMDUMWSA-N 459.396 2.232 30 10 JEEE COC(=O)[C@H](CC(=O)N[C@@H](C)c1nscc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2283927063 WFCOGLGAJVSWGR-JSGCOSHPSA-N 483.396 2.076 30 10 JEEE COC[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)N(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)C1 2289508021 UXEFFNXLQCRISW-CABCVRRESA-N 481.424 2.444 30 10 JEEE CC(C)(C)OC(=O)N1CC(c2nc(=NC(=O)c3occc3B3OC(C)(C)C(C)(C)O3)s[nH]2)C1 2296446190 QYNNOXBFZKXIBE-UHFFFAOYSA-N 476.364 2.439 30 10 JEEE CCOc1ccc(CCc2nnc(SCC(N)=O)n2N=Cc2ccc(O)cc2O)cc1OC 2325888857 VLEIXNUZYCRSPS-UHFFFAOYSA-N 471.539 2.341 30 10 JEEE CC(C)N1C[C@H](c2nnc(SCC(=O)Nc3nccs3)n2N=Cc2cccnc2)CC1=O 2329018205 YIGGVGAZSYBBDD-OAHLLOKOSA-N 470.584 2.467 30 10 JEEE CCN(CC)C(=O)CSc1nnc(CCOC)n1N=Cc1cc(OC)c(OC)cc1OC 2331237013 RYGBBLXGYBTEIZ-UHFFFAOYSA-N 465.576 2.336 30 10 JEEE Cn1cc(C(=O)N[C@@H]2C[C@@H]3C[C@H]2C[C@@H]3NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2359268172 YHVKODSHECTFAI-DIECFANBSA-N 460.384 2.141 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC(F)(F)[C@@](C)(NC(=O)OC(C)(C)C)C2)n1 2361916290 PTAVXPULJVZHLY-FQEVSTJZSA-N 470.326 2.094 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC2(C)CC(NC(=O)OC(C)(C)C)C2)n1C 2362324217 OZEMJRZKROEGMH-UHFFFAOYSA-N 462.400 2.451 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)n1C 2362332427 NHHGDSJDGFDJSO-HOCLYGCPSA-N 462.400 2.403 30 10 JEEE CN(C[C@@H](O)COCc1ccccc1)C(=O)c1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1O 2364943782 RIHBCIVEIRXRSA-QGZVFWFLSA-N 459.323 2.480 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](CNC(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)N2CC[C@H]1C2 2368743766 ZORJVVUMRMYZEZ-JKSUJKDBSA-N 477.436 2.471 30 10 JEEE CC(/C=C/c1ccccc1)=N\Nc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@@H](O)COc1ccccc1 13590324 AXVWXBZADPZSMY-BSWOGNGGSA-N 474.521 2.364 30 10 JEEE COc1ccccc1NC(=O)CSc1nnc(N/N=C(\C)c2ccc3c(c2)OCO3)n1N 21318117 JJUKSPKXOMGBSG-FSJBWODESA-N 455.500 2.296 30 10 JEEE CCCOCCN1C(=O)[C@H]2[C@H](C1=O)[C@@](Cc1ccccc1)(C(=O)O)N[C@H]2c1ccccc1C#N 253372000 DBUKPQCIILBBLZ-MSZDEVHKSA-N 461.518 2.296 30 10 JEEE COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc([C@@H]3C[C@H]3C)o2)c(=O)n1Cc1ccccc1 610487563 POTKOWHILLNEEP-YLJYHZDGSA-N 477.586 2.330 30 10 JEEE CCCCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1Cc1ccccc1 729668264 DTSRLDSTZOLZFU-UHFFFAOYSA-N 457.559 2.025 30 10 JEEE CC#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1C[C@@H](O)C[C@@H]1C(=O)O 757205765 BATMYCMNSMMZIS-IRBZQWRBSA-N 462.502 2.354 30 10 JEEE C#CC[C@@H](NC(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)OCC)C(=O)O 757312220 ZFIILTBVRGGMEV-RTWAWAEBSA-N 464.474 2.050 30 10 JEEE CC(=O)N1CCC(C)(C)c2cc(S(=O)(=O)N3CCN(c4cnccc4C#N)CC3)ccc21 1190831503 YIFQEWAKTDOTFJ-UHFFFAOYSA-N 453.568 2.498 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](C(C)C)N1CCOCC1 1286446037 CKRYIJCRHAKQGY-RTWAWAEBSA-N 490.649 2.403 30 10 JEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](CN2CCCC[C@@H]2C)C1 1286495572 AAEMBISWPUQRQK-SLFFLAALSA-N 482.720 2.346 30 10 JEEE C#CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(C)C)CC1 1286508158 GIHXANKLKANZOU-IBGZPJMESA-N 478.663 2.483 30 10 JEEE C=C(C)COCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCc2nn(C)c(=O)cc2C1 1286604600 VELUUGYEETURTO-UHFFFAOYSA-N 466.542 2.211 30 10 JEEE C=CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1286691208 WCPXHUNPSZDISB-UHFFFAOYSA-N 490.605 2.407 30 10 JEEE C=CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1286701287 XSJCXKYBVCTNOU-DLBZAZTESA-N 469.608 2.176 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1286784811 UOOITWNMRFYADG-HUUCEWRRSA-N 464.364 2.250 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@]2(CCOC2)C1 1286791837 DYOTWSOEHCZFQJ-RUZDIDTESA-N 469.586 2.453 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CCC(O)(C(F)(F)F)CC1 1286823461 NTLWPNGAGKQABN-UHFFFAOYSA-N 492.495 2.491 30 10 JEEE C[C@@H]1CCCN([C@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@H](C(N)=O)C2)C1 1291107316 HZTSKMPSIZMUFB-QWFCFKBJSA-N 451.575 2.161 30 10 JEEE CCC(O)(CC)Cn1c([C@H]2CCCCO2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1292282461 BFOCIWQNXXJXSZ-LJQANCHMSA-N 456.595 2.311 30 10 JEEE CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1297274842 FJDVWJNDMFXVOT-BGYRXZFFSA-N 482.633 2.296 30 10 JEEE COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@]2(O)CCSC2)cc1Br 1300076474 GYPHLMFWFNAICQ-IFXJQAMLSA-N 480.388 2.313 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H](F)COC)[C@@H]1CCS(=O)(=O)C1 1300489258 KNLQZUNABBGAQR-HZPDHXFCSA-N 470.954 2.218 30 10 JEEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCNC(=O)OC(C)(C)C 1300609805 VNFFBIOBFKZPBY-UHFFFAOYSA-N 451.535 2.295 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCNC(=O)C2CC2)CC1 1300716662 OMQBYMCRWDEAII-UHFFFAOYSA-N 486.523 2.039 30 10 JEEE C=C(Br)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCOCC1 1300850186 XIRLOVRPXDRKFL-CQSZACIVSA-N 458.357 2.332 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](COc2ccccc2)C1 1300952228 OJOWUSVSXFOXCI-ICSRJNTNSA-N 461.588 2.092 30 10 JEEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCC(CC(=O)N2CCN(CC)CC2)CC1 1300983837 QMLHFXKAFGZRAD-UHFFFAOYSA-N 482.633 2.098 30 10 JEEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 1301435940 BIMJLZVEQJJHLK-UHFFFAOYSA-N 486.558 2.328 30 10 JEEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1301436210 UVUHPKZTRAQDBW-SFHVURJKSA-N 458.588 2.117 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H](C)CC)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1301529377 JCVAZRXFYHBHBY-SFHVURJKSA-N 466.586 2.332 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCS(=O)(=O)NC(C)C)C1 1301568642 VNRXHEAMUYLJMA-GUDVDZBRSA-N 469.652 2.306 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCS[C@@H](C)[C@H]1C 1301587434 VJLHQYBLUOOPOJ-SJORKVTESA-N 460.629 2.448 30 10 JEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](c2ccnn2C)C1 1301612944 RYVXIYKAQCHKRK-IAGOWNOFSA-N 450.634 2.217 30 10 JEEE C#CCCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(C(=O)OC)CC1 1358906085 VHQYXPQQANZVEK-UHFFFAOYSA-N 473.603 2.239 30 10 JEEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCN(C)[C@@H]1c1cccs1 1358939550 YUOWTOWXFQASFJ-BQFCYCMXSA-N 450.634 2.102 30 10 JEEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC[C@@H](C(F)F)N1CCOCC1 1358946162 LECJENLYKVZNTH-IBGZPJMESA-N 485.539 2.100 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)=C(Br)C1 1359122057 VRIYVRMRIAMKOF-HNNXBMFYSA-N 460.398 2.066 30 10 JEEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1359135815 POBQKLIWRWJNLR-NRFANRHFSA-N 454.579 2.143 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCOC2(CCC2)C1 1359293913 DHUGRUPOMANVOW-UHFFFAOYSA-N 457.531 2.032 30 10 JEEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1359304317 VCAINUXXRSLTQK-LJQANCHMSA-N 491.577 2.021 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cc(COC(C)(C)C)on2)C1 1359321168 BKBIDNUFGARLFJ-SJLPKXTDSA-N 479.603 2.313 30 10 JEEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1Cc2ccccc2O[C@H](C)C1 1359343155 NALIQUWNWYSNNM-XLIONFOSSA-N 493.655 2.318 30 10 JEEE CC(C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)c2ccco2)CC1 1360261165 AJEZCPJXXIYKBX-UHFFFAOYSA-N 461.526 2.287 30 10 JEEE C=C(Cl)C[C@H](NS(=O)(=O)N(C)C1CCN(C(=O)OC(C)(C)C)CC1)C(=O)OCC 1464260564 VRZFVQPDRRIHEH-HNNXBMFYSA-N 453.989 2.226 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1507519257 GLVGRWAUIIAXRH-LSDHHAIUSA-N 466.405 2.447 30 10 JEEE C#C[C@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CCNC(=O)c1cccc(OC)c1 1507538715 WIDALRWUDJOSJU-SFHVURJKSA-N 457.538 2.413 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)Nc3ccccn3)n2CCn2ccnc2C)c1 1507548939 WVOKABPLLTXIMT-UHFFFAOYSA-N 483.536 2.187 30 10 JEEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(N2CCNC2=O)CC1 1507558743 SVMLLPKHCPQKER-UHFFFAOYSA-N 470.599 2.146 30 10 JEEE C#CCCCCn1c(Cn2ccc3ccccc32)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1507571049 ZIVIEKHXVWPPLJ-UHFFFAOYSA-N 475.597 2.258 30 10 JEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)Cc1cnn(C)c1C 1507577966 UGMIRJCGGKWMIH-UHFFFAOYSA-N 455.588 2.287 30 10 JEEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1CCCc1nc(C)no1)[C@@H]1CCS(=O)(=O)C1 1507639948 NPDRCTPPKAPZKC-HXUWFJFHSA-N 498.609 2.425 30 10 JEEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cccc(CN2CCOCC2)c1 1507642041 OJIVOSNGHUPSKL-HHHXNRCGSA-N 477.609 2.272 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCCN1CCN(CC)CC1 1507648749 RIKULNYDIGVFCM-UHFFFAOYSA-N 456.598 2.231 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(F)cc2Br)n1CC1(C(N)=O)CCOCC1 1507704989 NILYNQWHHGNIRW-UHFFFAOYSA-N 494.365 2.215 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@H]2COCCO2)CC1 1507732650 RFXRTBLOUVLTHH-KRWDZBQOSA-N 466.369 2.335 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCc2c(F)cccc2F)CC1 1507736853 UNUFLHXCWDGBOX-RUZDIDTESA-N 487.551 2.417 30 10 JEEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1507930172 ZPTWDKUXQBXYEW-QHCPKHFHSA-N 466.546 2.096 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCn1ccnc1C 1508003229 VDWBSQMDOFCLQU-NRFANRHFSA-N 485.614 2.009 30 10 JEEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1508147364 JDEMSDGSMKRXHE-CQSZACIVSA-N 483.520 2.349 30 10 JEEE CN(C)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)CC1)c1cccs1 1516983423 GGDPSGNUIUKECC-LJQANCHMSA-N 485.639 2.263 30 10 JEEE CNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCN(C)CC(F)(F)F)CC1 1517614783 GQCDZPIGXCIRBZ-UHFFFAOYSA-N 494.522 2.074 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1Cc1cccc(S(=O)(=O)NC)c1 1538974590 WRTRNQXFWWQGLO-CQSZACIVSA-N 491.415 2.460 30 10 JEEE C#CCN(c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@H](C)COC)[C@@H]1CCS(=O)(=O)C1 1539206270 NXEGCLHWMSNMKL-PKOBYXMFSA-N 468.583 2.244 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1CC1(O)CCN(C(C)C)CC1)[C@H]1CCS(=O)(=O)C1 1539218683 CAPBFPCFZRQRRM-QHCPKHFHSA-N 499.681 2.039 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1CCN1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1539229223 AMZWWQWMHJVPQK-HXUWFJFHSA-N 489.617 2.355 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCn1ccc2ccccc21 1539326695 YDAYYEIHPSJWOT-QHCPKHFHSA-N 494.621 2.119 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2cnn(CC(C)C)c2C)CC1 1539429861 DASWTQJMHWAHIH-RUZDIDTESA-N 469.634 2.283 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2Cc2nncn2CC)CC1 1539430369 JJGQVJMOADIAQM-KRWDZBQOSA-N 454.966 2.486 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2N(C)CCCC2(C)C)CC1 1539434137 AFRAPZIXEZJIDT-JOCHJYFZSA-N 484.670 2.224 30 10 JEEE C#CCN1CCN(c2nnc(CSc3ccc(C)cc3)n2CCN2CCOC[C@H]2C)CC1 1539462545 IGFSNYNWOHNAMR-OAQYLSRUSA-N 454.644 2.355 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H](C2CC2)N(C)C)CC1 1539470397 NVJOVNYWUZARRK-LJQANCHMSA-N 488.434 2.342 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2Cc2cccn(CC)c2=O)CC1 1539484188 GJYBHRBZJBBIFS-UHFFFAOYSA-N 450.587 2.207 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(COC)cc2)CC1 1539490711 ZPOKKQSDFYNYBI-GOTSBHOMSA-N 481.597 2.163 30 10 JEEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1539504420 GDADAFXWCMVFRG-UHFFFAOYSA-N 476.050 2.350 30 10 JEEE C#CCSCCn1c(-c2ccccc2OC)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1539504767 AAWXZCIZYHOKDF-IBGZPJMESA-N 468.583 2.087 30 10 JEEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(c2ccc(OC)cc2)CC1 1539776407 ZBJUKXWHAMLQTG-INIZCTEOSA-N 469.011 2.366 30 10 JEEE C=C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCOCCS(C)(=O)=O)CC1 1539839929 GWKCYGMHVOTQAF-UHFFFAOYSA-N 450.561 2.180 30 10 JEEE C=CCCCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1539962720 ASMYNAREXCAFRP-QGZVFWFLSA-N 478.619 2.470 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)c1nc(C)cs1 1540170821 REDQFRSUFAKOFY-RDJZCZTQSA-N 466.633 2.358 30 10 JEEE Cc1nn(C)c(N2CCN(c3nnc(-c4ccc(Cl)cc4F)n3CCC(=O)N(C)C)CC2)c1C#N 1543001740 AMEOQEOFQHSWQY-UHFFFAOYSA-N 499.982 2.456 30 10 JEEE C#C[C@@H](NS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C)c1ccc(Br)cc1 1561601098 DDMFJNGNYVXNCJ-OAHLLOKOSA-N 457.371 2.352 30 10 JEEE C#CCCCn1c([C@H](CC)c2ccccc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1587813514 OXNVRYKGTRLWQJ-HSZRJFAPSA-N 464.614 2.214 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1Cc1ccnc(OC2CCOCC2)c1)[C@@H]1CCS(=O)(=O)C1 1588058909 FJZLCUBVACHRJI-HXUWFJFHSA-N 487.626 2.104 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCCN1CCC)[C@H]1CCS(=O)(=O)C1 1588065129 UZUAESBGNRCWGV-PMACEKPBSA-N 476.672 2.135 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@H](C)Oc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1588065473 ZBUTYQRBGHDBBR-RXVVDRJESA-N 483.569 2.497 30 10 JEEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1588272259 XBJMHFBKJOUUQF-DVECYGJZSA-N 454.575 2.058 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2CC2(COC)CCOCC2)CC1 1588961906 PZMYESZDTGRYOI-UHFFFAOYSA-N 499.587 2.405 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1595577618 YVFUPFODVNMEKC-VWLOTQADSA-N 479.585 2.262 30 10 JEEE C=CCOc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CCCN(CC)C(=O)C2)cc1 1595639648 GDKWPGDLLYGGBW-UHFFFAOYSA-N 452.559 2.072 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CC(C)(C)C(=O)NC)C1 1595714533 OKGAUVJWDXZRPS-OAHLLOKOSA-N 451.531 2.147 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CCc2nccc(C(F)(F)F)n2)C1 1595743466 BCZLZMDKDHNIMO-HNNXBMFYSA-N 465.480 2.233 30 10 JEEE CC(C)(C)C(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCOCC2)CC1 1596918579 GGAVEYNCKSJNFN-UHFFFAOYSA-N 495.628 2.146 30 10 JEEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCn1ccc(C(F)(F)F)n1 1644860428 FGJMOYSHFUSQCC-CQSZACIVSA-N 457.478 2.316 30 10 JEEE C#CCN1CCC(NC(=O)[C@@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc(C)cc2)CC1 1644948217 ORIQMSZMMNKGHW-DEOSSOPVSA-N 451.592 2.324 30 10 JEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H](c1ccc(F)cc1F)c1nccn1C 1648467437 GBZWLJAVTZDJRE-DJJJIMSYSA-N 459.478 2.143 30 10 JEEE CCNC(=O)COc1cccc(CNS(=O)(=O)c2ccc(C#N)c(Br)c2)c1 1662566158 BVFWLQGUWIFLCM-UHFFFAOYSA-N 452.330 2.314 30 10 JEEE C=C(C)CN1CCC(NC(=O)N2CCCN(S(=O)(=O)c3ccc(OC)cc3)CC2)CC1 1678667652 DOJSVSZSPUPPIX-UHFFFAOYSA-N 450.605 2.142 30 10 JEEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C)c2ccccc2OCc2ccccc2)CC1 1685894584 LRGPTDQWSSLDAL-LJQANCHMSA-N 456.568 2.121 30 10 JEEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H](c1ccc(C)o1)N1CCOCC1 1689950945 HPCYWTSNVOQGCU-OAQYLSRUSA-N 483.594 2.393 30 10 JEEE C#CCN(c1nnc([C@@H](C)CC)n1CCCNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1689979846 IGJJAAMCLVOYPZ-DLBZAZTESA-N 453.609 2.333 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H](C)Oc1ccccc1OC)[C@@H]1CCS(=O)(=O)C1 1689986103 IRQCSRIHZJOKNW-UYAOXDASSA-N 481.578 2.443 30 10 JEEE C#CCN(CC#CC)c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CCN(C(C)C)CC1 1690054204 QGUXGRNJZFFSSM-UHFFFAOYSA-N 460.582 2.427 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCc2c(F)cccc2F)CC1 1690153868 FBJUZFMRRPNHGF-AVRDEDQJSA-N 487.551 2.489 30 10 JEEE C#CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](C)[C@@H](O)C1 1690175290 UIJOTGCQPJPICU-SQNIBIBYSA-N 465.620 2.160 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC)c(Cl)c1 1690206749 YVCZZAJGWADULD-SIKLNZKXSA-N 494.017 2.313 30 10 JEEE C=CCCCCn1c(-c2ccc(CC)cc2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1690455438 JDIIAUHRTBPOJQ-UHFFFAOYSA-N 478.601 2.330 30 10 JEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(OCc2ccccc2F)CC1 1690644585 UVOMWZJAGFAZNP-FQEVSTJZSA-N 479.578 2.122 30 10 JEEE CN(C)c1ccc(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CCN2CCOCC2)cn1 1696609563 DJZJSWPNPZLYPW-UHFFFAOYSA-N 476.585 2.006 30 10 JEEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)C(C)(C)C)C[C@H](C)O1 1697888253 CALBRHNBLWYXPP-LPHOPBHVSA-N 461.588 2.270 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCc1ccc(OC)c(OC)c1 1705598706 PHQGOBUSQUCDKP-FQEVSTJZSA-N 470.595 2.293 30 10 JEEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCN(C)[C@@H]1c1cccs1 1705604572 OVTSDGKJTVZOHP-LNLFQRSKSA-N 464.661 2.492 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(=O)N[C@@H](C)CCC)C1 1705662170 RVRWDUGTIZJDGK-GBESFXJTSA-N 481.688 2.068 30 10 JEEE C=CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(C)=O)CC1)c1ccccc1 1705795220 FEYJXPCJAGRICU-WIYYLYMNSA-N 474.631 2.307 30 10 JEEE C=CC[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OC)CC1)c1ccccc1 1705797284 TVAFYGNZLXLLRG-UXHICEINSA-N 473.599 2.429 30 10 JEEE C=CCCOCCn1c(N2CCS(=O)(=O)C3(CCCCC3)C2)nnc1[C@]1(OCC)CCOC1 1705832764 HRMVCBFBFBNAPY-QHCPKHFHSA-N 482.647 2.461 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1705897232 ISYHZHWVMRRVCH-ICSRJNTNSA-N 481.601 2.377 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(c2cnccn2)CC1 1705897536 NTOOICMUPJBRHP-QGZVFWFLSA-N 482.976 2.490 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCSC2(CCOCC2)C1 1705905084 JIIBSKAHRMYRKL-UHFFFAOYSA-N 457.600 2.282 30 10 JEEE CC(C)OC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCOC(C)(C)C2)CCO1 1706693403 FZSLIVALDOYKFH-HSZRJFAPSA-N 498.628 2.470 30 10 JEEE Cc1cccc(OCc2nnc(N3CCN(c4ccc(C#N)cn4)CC3)n2CC(=O)NCC(F)F)c1 1707629265 HZKMNAQIVKZXFQ-UHFFFAOYSA-N 496.522 2.140 30 10 JEEE CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@](C)(O)C2CC2)CC1 1708632796 DCXRZGMFNASBSP-BVZFJXPGSA-N 465.602 2.014 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCC1CC1 1708751321 GBXWCKGWKCFWFO-UHFFFAOYSA-N 453.595 2.237 30 10 JEEE CCc1nc(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCN(CC(C)C)C(=O)C2)no1 1708993031 CTTWTYYNPRXPOY-UHFFFAOYSA-N 478.557 2.221 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2CCc2nccnc2C)c1 1722309761 PRLWDDTWLBSSLZ-UHFFFAOYSA-N 453.510 2.132 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1C[C@](C)(O)CCC)[C@@H]1CCS(=O)(=O)C1 1722363286 FCXOCTURUPLCAJ-OXQOHEQNSA-N 498.447 2.224 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1ccc(F)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1722365308 DBHUEIJQDOQQAM-VQIMIIECSA-N 450.511 2.473 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCCN1C(=O)OC(C)(C)C 1722418899 HIHAYFYKBMLRMB-GOSISDBHSA-N 483.573 2.411 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2ccc3nsnc3c2)CC1 1722444196 HDVMXLVKZRRNGK-MRXNPFEDSA-N 483.598 2.021 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCC(=O)N1CCOCC1 1722513484 XOUKWIVXCRAFRO-UHFFFAOYSA-N 479.585 2.326 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1722519706 PNHSSXCYYFVZLN-RXVVDRJESA-N 459.616 2.472 30 10 JEEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1722530698 BCRKNHAQEOSEBW-REWPJTCUSA-N 469.634 2.255 30 10 JEEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)NCc2ccc(F)cc2)CC1 1722685391 GNXDTGZEZVCRJC-GOSISDBHSA-N 461.563 2.038 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1722689496 UNBNHGXNBJWPKM-QHCPKHFHSA-N 493.656 2.257 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1722693582 TZMXJBLQXBVUIV-MRXNPFEDSA-N 475.456 2.118 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(C)C)CC1 1722707062 FKRPOFBMFYQZMV-FQEVSTJZSA-N 459.616 2.324 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(F)(F)c1ccccc1 1723777988 CLSOSNWFMAUCJV-DOTOQJQBSA-N 468.530 2.141 30 10 JEEE COCCC1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(NS(C)(=O)=O)CC2)CC1 1730641929 GHTIKQNHDXILDO-UHFFFAOYSA-N 458.588 2.151 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCNC(=O)c1cccs1)[C@H]1CCS(=O)(=O)C1 1740618753 BGIJELCUEWBATR-SFHVURJKSA-N 499.618 2.072 30 10 JEEE C#CCN(c1nnc(-c2noc3c2COCC3)n1C[C@@H](SC)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1740622796 IRDDUMZSWIYTET-MAUKXSAKSA-N 493.655 2.410 30 10 JEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@@H](CC)NC(=O)OC(C)(C)C 1740684432 RCTNDXGZSBMDED-MRXNPFEDSA-N 474.562 2.395 30 10 JEEE C#CCSCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(C)C(=O)[C@H]1C 1740711950 UEZSCSJTZHOARM-OAHLLOKOSA-N 459.572 2.004 30 10 JEEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2c(Cl)cccc2C1 1740717018 HEEWXUAORLHZAV-LJQANCHMSA-N 496.058 2.194 30 10 JEEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCOC[C@@H]2CCOC2)[C@@H](C)C1 1741055138 FGEFKFGQUJWZAR-UGKGYDQZSA-N 482.585 2.229 30 10 JEEE C[C@H]1CN(CCCn2c(-c3cc(Br)c[nH]3)nnc2N2CCO[C@@H](C#N)C2)CCCO1 1743334629 CHNNUVOXKCTWQO-RDJZCZTQSA-N 478.395 2.265 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2CCN2CCOCC2(C)C)c1 1748697438 ILISMAXAIBSJGR-OAQYLSRUSA-N 466.586 2.297 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1C[C@H](C(CC)CC)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1748803023 URYOCPYFFSRJPN-LEWJYISDSA-N 479.691 2.339 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1CCN(C)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1748811629 JOBAMQGXDOEPNF-HXUWFJFHSA-N 458.632 2.175 30 10 JEEE C#CCN(c1nnc(C2CCC2)n1Cc1ccc(OCCOC)cc1)[C@@H]1CCS(=O)(=O)C1 1748815360 POQLTMSPQOBARH-HXUWFJFHSA-N 458.584 2.246 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1CCCc1nc(C)no1)[C@H]1CCS(=O)(=O)C1 1748819018 IOYGWFOICIHEGE-FQEVSTJZSA-N 468.583 2.128 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCN1C[C@@H](C)C[C@@H](C)C1 1748836082 PGJOUMYZCYVWLQ-OYRHEFFESA-N 457.586 2.362 30 10 JEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCNC(=O)c1cccs1 1748846641 JHBUAPZTHYAQAV-UHFFFAOYSA-N 474.594 2.016 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC(C)(C)C(=O)NC 1748902784 TVNFRZKMAKCNNM-HDICACEKSA-N 456.591 2.284 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2CC2([S@](C)=O)CCC2)CC1 1749003207 BCLSEMGDQUCVLD-XIFFEERXSA-N 469.611 2.221 30 10 JEEE C#CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC(C(=O)NC)CC1 1749033034 YFRAFIJFFNDDRP-UHFFFAOYSA-N 479.610 2.004 30 10 JEEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC(F)(F)F)CC1 1749037557 FEWCWVUTQWPYLR-MRXNPFEDSA-N 495.593 2.146 30 10 JEEE C#CCSCCn1c(COc2ccc(F)cc2)nnc1N1CCN(c2ncccn2)CC1 1749046743 FEPZURSUTLNNJB-UHFFFAOYSA-N 453.547 2.479 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1749132985 GKXOHNCIFJFJHE-DHLKQENFSA-N 481.645 2.236 30 10 JEEE C=CCCCn1c(N2CCN(C(=O)CN3CCCC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1749440173 UERCPONMUAHUMX-DEOSSOPVSA-N 460.623 2.029 30 10 JEEE C=CCCOCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@H](NC(C)=O)C1 1749458057 XFVLYIASFUBVBC-NRFANRHFSA-N 468.606 2.150 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](C[C@H]2CCOC2)C1 1749655486 MHMKNURTOAPKFL-RBUKOAKNSA-N 487.626 2.294 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(CCOc2ccccc2Cl)CC1 1749663497 HPVDPRZUCBZDCY-UHFFFAOYSA-N 484.004 2.440 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCc2noc(CC)n2)C1 1749695960 MVQJIKSDBLLHLR-QGZVFWFLSA-N 472.571 2.318 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC(=O)N(C)C[C@H]1C 1749727188 PFRVKQARXDZEKN-QGZVFWFLSA-N 491.614 2.009 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CC[C@@](O)(c2ccc(F)cc2)C1 1749732077 OWBLGQWVDYTZOC-JTSKRJEESA-N 464.563 2.010 30 10 JEEE CS(=O)(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCCO2)C1 1750196361 BYLINYUIYNPNRT-WOJBJXKFSA-N 459.572 2.311 30 10 JEEE CSC1(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)C2CCN(S(C)(=O)=O)CC2)CC1 1750265578 CXBLRQZLHYKRAK-UHFFFAOYSA-N 490.655 2.485 30 10 JEEE CC(C)NC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](c2nnc(C(C)C)o2)C1 1750992035 GOHSYRGYAYRZCS-GOSISDBHSA-N 464.530 2.426 30 10 JEEE C#CCCCn1c(-c2cccc(OC)c2)nnc1N1CCN(Cc2nc(COC)no2)CC1 1760147105 HHLUXFMXHXBCBK-UHFFFAOYSA-N 451.531 2.219 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCc1nccs1)[C@@H]1CCS(=O)(=O)C1 1760184758 LHPFKQIFDWNTOW-GOSISDBHSA-N 452.565 2.143 30 10 JEEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(OC)nc1OC 1760224018 UQQVPCCCVNECPC-UHFFFAOYSA-N 464.551 2.193 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](C)NC(=O)OC(C)(C)C)CC1 1760269413 HTDLXHQDMHNWRE-IEBWSBKVSA-N 474.606 2.051 30 10 JEEE C=C(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(CC(=O)N2CCc3ccccc32)CC1 1760341132 BTIQVTWOMNNFCF-UHFFFAOYSA-N 479.629 2.484 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](Cc2ccc(F)cc2)C1 1760346382 VWMABLAFUMIZRF-AZUAARDMSA-N 463.579 2.395 30 10 JEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1760348716 JNUCLNYTEVSQEA-UHFFFAOYSA-N 458.607 2.336 30 10 JEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C1CCCCC1)N(C)C)C1CC1 1760477134 QEQUDJCMUDWMKI-LEWJYISDSA-N 480.679 2.276 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(CS(C)(=O)=O)CC1 1760485220 WPBJKEQXYMHYOA-GOSISDBHSA-N 496.630 2.337 30 10 JEEE C=CCNC(=O)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1C[C@@H](C)S[C@H](C)C1 1760527498 YSSKSWNHVVYONM-NHCUHLMSSA-N 483.686 2.275 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2cnn(C)c2C)C1 1760539689 SWOHUOSXVZYGTD-IBGZPJMESA-N 456.572 2.220 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1760556780 PWHCVHFULVSCOZ-AUSIDOKSSA-N 460.600 2.162 30 10 JEEE CC(=O)N1CCCN(c2nnc(-c3ccc(Cl)cc3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1760598063 LEDVBUOKXXPBPI-XDOYNYLZSA-N 483.960 2.184 30 10 JEEE Cc1cc(C)n(CCCn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)n1 1762476103 BHKIZALSKQOSDL-OAQYLSRUSA-N 483.598 2.256 30 10 JEEE CCc1nc(CN2CCN(c3nnc(COc4ccc(C#N)cc4)n3CCC(=O)NC)CC2)cs1 1762803555 FTVPADVGWDYDFT-UHFFFAOYSA-N 494.625 2.206 30 10 JEEE CC[C@H](C)[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCc2nn(C)c(=O)cc2C1)OC 1763463644 ARYWKKDWQJPBFB-HTAPYJJXSA-N 477.569 2.446 30 10 JEEE CC#CC(=O)NC[C@@H]1CCCN(C(=O)CCCc2nc(-c3ccc(OC)c(OC)c3)no2)C1 1775939596 SNPHEVSERLHXMP-KRWDZBQOSA-N 454.527 2.455 30 10 JEEE N#Cc1cccc(NC(=O)N[C@H]2CO[C@H]3[C@@H]2OC[C@H]3n2nnnc2Oc2ccc(-n3ccnc3)cc2)c1 1848441506 SUSMVMGQHSSYJK-DXBBTUNJSA-N 499.491 2.052 30 10 JEEE COc1ccc(NC(=O)[C@@H](CO)NC(=O)C2CCN([C@@H](C#N)c3cccs3)CC2)c(OC)c1 1866869359 ZZWJFIQXYYYYBO-MOPGFXCFSA-N 472.567 2.158 30 10 JEEE N#Cc1cccc(C(=O)Nc2nc(N3CCN(CCO)CC3)nn2-c2ccc(Br)cc2)c1 1870012808 ISJRSCSVQSMJIX-UHFFFAOYSA-N 496.369 2.268 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)OCCOc2ccccc2)cn1CCOCCO 1870327479 FICXRPIVDRPVBG-UHFFFAOYSA-N 486.565 2.032 30 10 JEEE C=CCOc1cn(CCc2ccc(S(N)(=O)=O)cc2)c(CN(CCO)Cc2ccccc2)cc1=O 1870387560 JIMHWWSNDUZHKJ-UHFFFAOYSA-N 497.617 2.298 30 10 JEEE Cc1nc(C2=C(N)N(c3ccc(I)cc3)CC2=O)sc1C(=O)N(C)C 1873920802 ZCQOWKKERLNARG-UHFFFAOYSA-N 468.320 2.475 30 10 JEEE CC(C)N1C(=O)CS[C@H](C(=O)NCc2ccnc(N3CCOCC3)c2)[C@H]1c1ccc(C#N)cc1 1892063416 COXUWRAUKNXWIL-RPWUZVMVSA-N 479.606 2.500 30 10 JEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2185172970 WQVDMMCMBWXGFM-RTBURBONSA-N 460.380 2.484 30 10 JEEE C[C@@H](O)CN(CCNC(=O)c1csc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)OC(C)(C)C 2255706990 QERSJYNSPIBRDA-CQSZACIVSA-N 454.398 2.395 30 10 JEEE CC1(C)OB(c2ccccc2CS(=O)(=O)N2CC(NC(=O)OCc3ccccc3)C2)OC1(C)C 2255797022 YKSKBBCQYKWRMR-UHFFFAOYSA-N 486.399 2.426 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)CCO1 2255831235 RZQNMONADQELMF-OAHLLOKOSA-N 452.382 2.413 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@@](O)(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C1 2256668878 HHLSACMHGMRDCA-FQEVSTJZSA-N 453.370 2.143 30 10 JEEE Cc1cc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2O)sc1B1OC(C)(C)C(C)(C)O1 2267218883 AHLYGSRDOOWTJG-GJZGRUSLSA-N 466.409 2.456 30 10 JEEE CC(C)(C)OC(=O)N[C@]1(CO)CCCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)C1 2267283182 LLXDWKGSYOASGS-JOCHJYFZSA-N 450.341 2.071 30 10 JEEE C=C(CS(=O)(=O)N1C[C@@H]2CCO[C@]2(CNC(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2267469778 ATAQSXCKBNTRLC-HRAATJIYSA-N 472.413 2.119 30 10 JEEE CC1(C)OB(c2cnccc2C(=O)N[C@@H]2CCOC[C@@H]2NC(=O)OCc2ccccc2)OC1(C)C 2267479918 RSBYTHBJIRPNHI-RTWAWAEBSA-N 481.358 2.195 30 10 JEEE CC1(C)OB(c2nscc2C(=O)N2C[C@H]3[C@@H](C2)OCCN3Cc2ccccc2)OC1(C)C 2267549040 WSYQWBSRMVJNIU-RBUKOAKNSA-N 455.389 2.168 30 10 JEEE Cn1nc(C(=O)N[C@H](CNC(=O)OCc2ccccc2)C(F)(F)F)cc1B1OC(C)(C)C(C)(C)O1 2267551315 KVEPVPUXQCDEFX-MRXNPFEDSA-N 496.295 2.306 30 10 JEEE CC1(C)OB(c2cccc(S(=O)(=O)NC3[C@H]4CN(Cc5ccccc5)C[C@H]34)c2)OC1(C)C 2267714375 XIPKBPAUOQHVGM-SFTDATJTSA-N 454.401 2.395 30 10 JEEE N#Cc1cc(NS(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)ccc1Br 2270531755 OKCBZJNVMLMGGV-MRXNPFEDSA-N 482.312 2.442 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1CO 2281969478 MFCFVPNLXVOZOX-GJZGRUSLSA-N 481.424 2.098 30 10 JEEE CCn1cc(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 2282000851 TUGUVISCYSJLOQ-GSLRCMBYSA-N 482.412 2.107 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@@]2(CNC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2282018563 YNBKBMYCVJQOOP-IQMFZBJNSA-N 458.368 2.153 30 10 JEEE Cn1cc(C(=O)N2C[C@@H]3CC[C@@]3(CNC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2282059633 KZEIFRKWCFQPLL-NPMXOYFQSA-N 460.384 2.096 30 10 JEEE 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)c1 2282120632 KETNIVCJAZTJHJ-RTBURBONSA-N 460.380 2.394 30 10 JEEE C[C@H]1CCC[C@@H](CNC(=O)OC(C)(C)C)N1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282173068 DTVWPPGCHHBKFZ-GJZGRUSLSA-N 463.388 2.022 30 10 JEEE C[C@@H]1CCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)[C@H](C)[C@H]1NC(=O)C(F)(F)F 2282178324 FIGXZERUKCCEHK-IOASZLSFSA-N 455.286 2.298 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 2282587865 BRCFPBWCDVGMSW-GDBMZVCRSA-N 462.400 2.403 30 10 JEEE CC(C)(C)OC(=O)N[C@@]12C[C@H]1CN(S(=O)(=O)c1ccc(B3OC(C)(C)C(C)(C)O3)cc1F)C2 2282831788 DWOJSEZBQNZOFI-RCDICMHDSA-N 482.383 2.413 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](S(C)(=O)=O)[C@H](Nc2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)C1 2283031054 CMIIGVXUICPFTG-MSOLQXFVSA-N 481.424 2.012 30 10 JEEE COc1ccc(NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2283949054 VCHMRORLDQXEJM-KDOFPFPSSA-N 462.352 2.303 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCOC[C@@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2284023758 XQXKMHMOOWBSMO-HOCLYGCPSA-N 465.331 2.388 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H](CN(C)Cc2ccccc2)C(=O)O)n1 2284423557 UCIQLZZSCCXRED-LJQANCHMSA-N 453.348 2.004 30 10 JEEE CCOc1ccc(C(O)=C2C(=O)C(=O)N(CCOCCO)[C@@H]2c2ccc(O)c(OC)c2)cc1 2296318911 BPILFNQIHWILQK-OAQYLSRUSA-N 457.479 2.230 30 10 JEEE CCCOc1c(C=Nn2c(SCC(N)=O)nnc2[C@H]2CC(=O)N(C(C)C)C2)cccc1OC 2329013054 LUFYSCKAKZSMKV-INIZCTEOSA-N 474.587 2.259 30 10 JEEE CC(C)N1C[C@@H](c2nnc(SCC(=O)Nc3nccs3)n2N=Cc2ccncc2)CC1=O 2329018108 JACDKBYDQFVJNX-HNNXBMFYSA-N 470.584 2.467 30 10 JEEE COc1[nH]c(=NCCO[C@@H]2CCN(C(=O)OC(C)(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2365344467 OKZOGZFCJDJNKA-MRXNPFEDSA-N 463.384 2.249 30 10 JEEE CC(=O)Nc1ccc(S(=O)(=O)/N=C2/SCCN2S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 17971527 PMKMZCUWOMVQBX-ZBJSNUHESA-N 496.592 2.086 30 10 JEEE C=CCN(Cc1cc(Br)ccc1F)C(=O)CCCn1cnc2c1c(=O)n(C)c(=O)n2C 109904514 UIACFLFIXDKUGT-UHFFFAOYSA-N 492.349 2.330 30 10 JEEE Cc1cc(C(N)=NO)ccc1-n1cnc(I)c1I 385861525 WZHRTZPKQZUECF-UHFFFAOYSA-N 468.036 2.484 30 10 JEEE CC(C)c1ccc(-n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3cnn4ccccc34)c2=O)cc1 729668748 PYHVVQNKSJZVNK-UHFFFAOYSA-N 469.570 2.452 30 10 JEEE CCCCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccccc1F 729672062 VKCHRDLYWLPKGQ-UHFFFAOYSA-N 461.522 2.105 30 10 JEEE O=C(O)C#CCNC(=O)c1cnc(CNC(=O)OCC2c3ccccc3-c3ccccc32)nc1 757488531 ZXSUCEHWGYPIIZ-UHFFFAOYSA-N 456.458 2.333 30 10 JEEE C=CCn1c(SCC(=O)N2CCC[C@H](O)[C@H]2C(=O)OC)nnc1-c1ccc(Cl)cc1 1138246423 QOAFGQUXZGRHEU-RDJZCZTQSA-N 450.948 2.402 30 10 JEEE N#Cc1cc(F)ccc1N1CCN(C(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)CC1 1214876428 DICXNSKYTDISCY-UHFFFAOYSA-N 457.531 2.286 30 10 JEEE N#Cc1ccc(CN2CC[C@H](NC(=O)N[C@@H]3CCN(CCCc4ccccc4)C3=O)C2=O)cc1 1229852305 CCYKAQIPICGEMY-PKTZIBPZSA-N 459.550 2.192 30 10 JEEE C#CCCCCn1c(C(=O)NC(CC)CC)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1286314831 RZMREPSEAAYZJW-NZQKXSOJSA-N 485.677 2.379 30 10 JEEE C#CCCCCn1c(N2CCC(NS(C)(=O)=O)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1286335318 PIZDHZMBHQLFHD-IZAXUBKRSA-N 494.662 2.370 30 10 JEEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CCCNC(=O)C1CCC1 1286347906 DHPBFMBXAWZIHH-UHFFFAOYSA-N 461.570 2.348 30 10 JEEE C#CCN(c1nnc(-c2cc(C)nc3ccccc23)n1CCC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1286381858 HQCOICGYSAFRBM-IBGZPJMESA-N 494.621 2.343 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1CCC[C@@H](O)C1)[C@@H]1CCS(=O)(=O)C1 1286382058 IUGDNCOQJGESGC-MISYRCLQSA-N 488.610 2.140 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@](C)(O)c1cccs1)[C@H]1CCS(=O)(=O)C1 1286383283 LYDNJYJAKOZXQF-CVDCTZTESA-N 481.603 2.413 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@H](C)CN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1286388750 VGHQKDDSJHJQFF-DENIHFKCSA-N 466.611 2.175 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1ccc(C[S@](C)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1286388955 DCEQWNZPKBWGJF-PPGPUPIYSA-N 497.646 2.202 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@H]1CCSC1(C)C)[C@H]1CCS(=O)(=O)C1 1286391299 HBSQIJOGEYLXGZ-MOPGFXCFSA-N 459.641 2.422 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1Cc1ccc(OC)nc1)[C@@H]1CCS(=O)(=O)C1 1286393716 RPOIKNYTGBSTMK-OAQYLSRUSA-N 465.579 2.142 30 10 JEEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(CCSC2)C1 1286534619 BQNBTMFSQGSDGN-IUODEOHRSA-N 450.428 2.130 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCCO2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1286555104 JWDWGLLKKBEFGY-HCXYKTFWSA-N 453.609 2.019 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC2CCCC2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1286563110 IPBJAQYORXMWLC-UNMCSNQZSA-N 472.634 2.165 30 10 JEEE C=CCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1286684193 GIQHDPHFFNZPHQ-UHFFFAOYSA-N 469.546 2.383 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(Cl)cccc1OC)C1CC1 1286736137 AXEZLKKZSSZYLP-IBGZPJMESA-N 482.006 2.476 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1286817380 UBIBAMGCWAQCOI-YLJYHZDGSA-N 480.034 2.356 30 10 JEEE Cc1ccc(C(=O)NCCn2c(C(=O)NC(C)C)nnc2N2CCC[C@@](C)(C#N)C2)cc1F 1289453195 HQZBBWSVTRUVCU-QHCPKHFHSA-N 455.538 2.424 30 10 JEEE CC(C)[C@@](C)(O)Cn1c(Cc2cccnc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1291194975 HYCBERSCYXQFHK-KOSHJBKYSA-N 461.574 2.048 30 10 JEEE CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCc2nc(C)no2)CC1 1291832679 HTTUARBWZKXCHP-SFHVURJKSA-N 491.600 2.178 30 10 JEEE COc1ccc(-c2nnc(N3CCN(c4nccnc4C#N)C[C@@H]3C)n2CCNC(=O)C(C)C)cc1 1300068801 DJLYWHZSEZFOAO-SFHVURJKSA-N 489.584 2.103 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1300320752 JLLDBUUDKRNTOF-VQIMIIECSA-N 462.476 2.450 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1Cc1ccc(C#N)o1)[C@@H]1CCS(=O)(=O)C1 1300483324 KQRAUWLEFZKNRK-QGZVFWFLSA-N 481.534 2.102 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@H](CC)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1300490117 ZRJVNQJLBUTHPZ-SFTDATJTSA-N 471.627 2.455 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@@H]1CCCN1CC)[C@@H]1CCS(=O)(=O)C1 1300504748 RLJFMJRPUNZTGI-LEWJYISDSA-N 471.627 2.277 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCC[C@H](O)C1 1300561975 WSDBCKNCCIUTFS-CTNGQTDRSA-N 469.611 2.209 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](CC)Oc1cccc(F)c1 1300631855 XHXCKIDTHREESI-UYAOXDASSA-N 479.578 2.067 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@](C)(OC)C2CC2)CC1 1300699706 GLJQSBATALOHKG-CJFMBICVSA-N 488.633 2.157 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(CC)CCS(C)(=O)=O 1300869594 MUNCXVKTBLQQNH-AZUAARDMSA-N 496.655 2.201 30 10 JEEE C=C(C)COCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1300979929 AIXMJBTXSASECQ-UHFFFAOYSA-N 481.557 2.142 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC=CO1 1301339266 KOBBJZAMALAQPY-VXKWHMMOSA-N 498.609 2.368 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1301485154 SAHDFCOZSWWHAY-ORAYPTAESA-N 482.404 2.456 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1C[C@H](C)O[C@H](COC)C1 1301492910 RFMOYAHCFUQHCZ-HOCLYGCPSA-N 494.390 2.259 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCCC[C@H](COC)C1 1301497631 ZHTMCLWKYGFMIS-SFHVURJKSA-N 479.585 2.230 30 10 JEEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2ccccc2)C1 1301612389 YEQGHEQAEAELAU-WOJBJXKFSA-N 493.655 2.108 30 10 JEEE CCN1CCN(C[C@H](C)Cn2c(CC(C)C)nnc2N2CCN(c3ccc(C#N)cn3)CC2)CC1 1313955138 FUENXJZLUAOXLD-QFIPXVFZSA-N 479.677 2.343 30 10 JEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(=O)c2cccc(F)c2)CC1 1358913128 GLSPUOSPMUCCHF-FQEVSTJZSA-N 487.601 2.475 30 10 JEEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1CC1(O)CC(OCC)C1)[C@@H]1CCS(=O)(=O)C1 1358956273 CSEYLCKMRFQRBI-RQJFNDDNSA-N 486.638 2.377 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H](c1ccsc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1358967699 QIWJEZOLORKFDW-CEXWTWQISA-N 463.629 2.121 30 10 JEEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1CC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1358967850 ULRFVZHAGVRZAF-QGZVFWFLSA-N 464.975 2.052 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2CC(=O)NC2CCCCC2)CC1 1359038730 ICAXKYPPBCHLIF-UHFFFAOYSA-N 466.586 2.070 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCc2ccccc2OC)CC1 1359048629 XBHVJEONRUPWHS-GMAHTHKFSA-N 481.597 2.219 30 10 JEEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 1359082623 NTXQDANJFPVMHP-CQSZACIVSA-N 465.312 2.084 30 10 JEEE C=C(C)COCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1359132677 BZLCZKAMMGQTEK-NRFANRHFSA-N 491.614 2.291 30 10 JEEE C=C1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@]2(O)CCO[C@H]2C)CC1 1359165841 YHJYBYLBBFOPSH-IUKKYPGJSA-N 463.579 2.283 30 10 JEEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1359289092 AOTRZIQJGQMYRV-UHFFFAOYSA-N 490.586 2.106 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC(O)(C(F)(F)F)CC1 1359291064 CXEVGMZHFVRXII-UHFFFAOYSA-N 480.491 2.343 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1359296884 XSTKKEXLPHOMPQ-UHFFFAOYSA-N 496.612 2.493 30 10 JEEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1359301757 KHRIXKFJQVOLIM-HJPURHCSSA-N 461.513 2.224 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCO[C@@H](C(C)C)C1 1359332823 HZIHVQKHQORBPA-UXHICEINSA-N 462.572 2.253 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCN(c2nc(CC)ns2)CC1 1359334675 NRFVNESKTDZMKX-UHFFFAOYSA-N 479.676 2.352 30 10 JEEE CC(=O)N1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2Cc2ccc(C#N)o2)[C@H](C)C1 1359381518 JMTQMPZLQLKUBS-OAHLLOKOSA-N 481.944 2.431 30 10 JEEE CC(C)CCN(CCC#N)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(O)cc1 1359929370 DKXPNGRQTITFIQ-HXUWFJFHSA-N 476.603 2.131 30 10 JEEE C[C@H](CC#N)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCNC(=O)C(C)(C)C 1360469530 DDLIPYXRSXRHKP-MRXNPFEDSA-N 475.619 2.096 30 10 JEEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccc(F)c(S(=O)(=O)NC3CC3)c2)c1 1444349630 MBMXFJISYKXRGB-UHFFFAOYSA-N 450.513 2.316 30 10 JEEE CC(C)(C)OC(=O)N1CCCO[C@@H](CNC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C1 1470144611 AMRGTOLXPSPEJB-RTWAWAEBSA-N 457.575 2.432 30 10 JEEE CN(C)C(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1503366814 GDGXHKDVZKFLCW-LJQANCHMSA-N 493.593 2.197 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H](C)N(C)C)c1 1507549620 JDWWYXLUBUMNTK-KBMIEXCESA-N 468.602 2.325 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CCc2ccc(OC)cc2OC)CC1 1507740845 ZVJRUSHDRCKRHX-UHFFFAOYSA-N 488.592 2.490 30 10 JEEE C=CCn1c(N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1508066396 QBZSVONRWNVCHE-KKAKJJSRSA-N 473.578 2.049 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)NC(CC)CC)nnc2N2CCN(C(C)=O)CC2)cc1 1508097744 SZQQNHCKZQDFOG-UHFFFAOYSA-N 454.575 2.478 30 10 JEEE CC(=O)N1CCN(CCn2c(N3CCN(c4cccc(F)c4C#N)CC3)nnc2C(C)(C)C)CC1 1508272320 GULQRXOOLYKKLN-UHFFFAOYSA-N 482.608 2.077 30 10 JEEE CCCN(C)C[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCN(C(C)=O)CC2)C1 1514615452 GMCXFPRFDFCROO-HSZRJFAPSA-N 478.645 2.149 30 10 JEEE COCC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCO[C@H](C)C2)CC1 1518656899 DIDFTHIJKBBXIL-IEBWSBKVSA-N 452.559 2.363 30 10 JEEE CNS(=O)(=O)Cc1ccc(CNC(=O)COc2cccc(Br)c2C#N)cc1 1525063875 BJUFJTGNQWWVAU-UHFFFAOYSA-N 452.330 2.065 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)N1CCc2ccccc2C1 1538974100 QZZSJCLMPHWVIS-ROUUACIJSA-N 458.632 2.183 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCn1ccnc1C 1539299903 PEFJBIJLNHMFOJ-UHFFFAOYSA-N 464.599 2.215 30 10 JEEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc(OC)cc1 1539409141 PMLAKRWTCNFDPB-UHFFFAOYSA-N 468.583 2.381 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc(Cl)cc3)n2C[C@@]2(O)CCN(C)C2)n1 1539423786 GFMCVVOAJVHGDV-XMMPIXPASA-N 484.004 2.148 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H](CC)NC(=O)OC(C)(C)C)CC1 1539431529 UYVVWFWJSMCRTQ-CJFMBICVSA-N 490.649 2.377 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1539622347 WNQYHDOAMVMZHI-NZQKXSOJSA-N 497.600 2.481 30 10 JEEE C=C(C)COCCn1c(N2CCO[C@H]([C@H]3CCCO3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1539760044 SDLXNYBSQJXROL-ZRCGQRJVSA-N 450.580 2.296 30 10 JEEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(c2nc(CC)ns2)CC1 1540005344 KMXJIHDZSBUEFT-MRXNPFEDSA-N 465.649 2.277 30 10 JEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(F)cc2)CC1 1540035895 IGYRZWQAWIXYTA-GOSISDBHSA-N 463.579 2.239 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1540879781 OEVPZJNPEIZSTD-MHECFPHRSA-N 455.559 2.414 30 10 JEEE C=CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@](C)(C(N)=O)C1 1540917545 ZIIKAYRXFQPVAS-QFIPXVFZSA-N 456.620 2.073 30 10 JEEE Cc1cc(C(=O)N2CCN(c3ccc(C#N)c(C(F)(F)F)c3)C[C@@H]2C(=O)NC2CC2)nn1C 1548369498 KQACWTOQEFFCNA-LJQANCHMSA-N 460.460 2.229 30 10 JEEE CNC(=O)[C@@H]1CN(C(=O)Cn2cccn2)CC12CCN(c1ccc(C#N)c(C(F)(F)F)c1)CC2 1548375385 KKYQFCQZRFEVBL-IBGZPJMESA-N 474.487 2.265 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 1587562966 VURMGHRXUJDGPM-GVDBMIGSSA-N 480.635 2.136 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1cc(C(C)(C)C)no1)[C@H]1CCS(=O)(=O)C1 1588045766 QGWYEYXUWXVWFS-INIZCTEOSA-N 454.556 2.301 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cc2c(cc1OC(F)F)OCO2 1588079498 YODNCYBVUKXSOG-UHFFFAOYSA-N 480.431 2.377 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCCN2CCc3ccccc32)CC1 1588732804 GKNCPWUDQGQEPV-UHFFFAOYSA-N 463.630 2.405 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCN2C[C@H](C)O[C@H](C)C2)CC1 1588780376 NTGUIJPQNBVQBZ-KDURUIRLSA-N 458.010 2.248 30 10 JEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCOC2(CCCCCC2)C1 1588984520 IEJCSKZMKBNHTK-QGZVFWFLSA-N 455.650 2.184 30 10 JEEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)c2ccsc2)CC1 1589287654 CKVDHGCYBFRTHV-UHFFFAOYSA-N 479.404 2.447 30 10 JEEE C=CCCCn1c(COc2ccc(OC)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1594767015 LMRCFUAMQJMCHF-IBGZPJMESA-N 454.531 2.305 30 10 JEEE C=CCCOCCn1c(-c2nnc(O)c3ccccc23)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1594807443 OXAVKCYQNSZQRB-INIZCTEOSA-N 472.571 2.200 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCS(C)(=O)=O 1595219160 QWLLPRZOOINAAW-KRWDZBQOSA-N 469.608 2.200 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1595477072 QIXMSNMDQFVXOQ-JQFCIGGWSA-N 461.906 2.488 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1CCC1 1595659137 SZWBGWIXTPNDPI-HXUWFJFHSA-N 461.588 2.213 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(CS(C)(=O)=O)cc2)C1 1595675004 WIEXDWRSFSIUJQ-FQEVSTJZSA-N 496.593 2.300 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCN2CC=CCC2)C1 1595687611 AWUOCMNKZGWHIL-NRFANRHFSA-N 486.642 2.239 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1595776964 GLQPRKCMZXFYIO-OAQYLSRUSA-N 481.582 2.212 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(C(C)C)CC1 1595777024 HHZZHCDSUUNMBM-UHFFFAOYSA-N 470.603 2.394 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(CC(F)F)CC1 1595831630 VAWQIOZWYUIOIR-SJLPKXTDSA-N 475.606 2.185 30 10 JEEE C=CCSCCn1c(-c2ccccc2OC)nnc1N1CCCN(S(C)(=O)=O)CC1 1595860854 XQMUDQRRBONIFS-UHFFFAOYSA-N 451.618 2.345 30 10 JEEE C[C@]12CC[C@@H]3[C@H](CCC4=C/C(=N\OCC(=O)N[C@@H](CC(N)=O)C(=O)O)CC[C@@]43C)[C@H]1CC[C@H]2O 1614469893 PZKVVXINSMMEGU-XBLJEPIXSA-N 475.586 2.128 30 10 JEEE CCNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1615907361 GPCWWZACTLNNKG-IBGZPJMESA-N 472.615 2.383 30 10 JEEE CC#CCS(=O)(=O)c1cccc(C(=O)NCc2cccc(C(=O)NC[C@H]3CCCO3)c2)c1 1626870018 PZQKMODKRQHDAL-OAQYLSRUSA-N 454.548 2.322 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCNC(=O)c1occc1C 1689847829 JGKGBOSOAFTUTN-QGZVFWFLSA-N 473.537 2.371 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2cnn(C)c2)c1 1689868865 SMYMHJIWVWKKOU-VWLOTQADSA-N 477.569 2.157 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2CCCC(=O)N(C)C)c1 1689871747 DLJSRZOWIWEPSX-UHFFFAOYSA-N 459.554 2.189 30 10 JEEE C#CCCCn1c(COc2ccc(C)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1689938566 PLHNZSSZGGHAHA-QFIPXVFZSA-N 450.587 2.322 30 10 JEEE C#CCCCn1c(COc2ccccc2OC)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1689940312 VEOWSWCZGIQEBR-NRFANRHFSA-N 452.603 2.495 30 10 JEEE C#CCN(c1nnc([C@@H](CC)c2ccccc2)n1CCCN1CCC(O)CC1)[C@@H]1CCS(=O)(=O)C1 1689979661 FRRSPTCSVPQYPE-VWNXMTODSA-N 499.681 2.294 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccccc1-n1ccnc1)[C@H]1CCS(=O)(=O)C1 1689979998 KCUFZXWCZJPZPX-IBGZPJMESA-N 452.584 2.436 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CCc1ncc(CC)s1)[C@H]1CCS(=O)(=O)C1 1689993476 FFOLVNDHJGDEQJ-SFHVURJKSA-N 470.624 2.152 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1CC1(N(C)C)CCCC1)[C@H]1CCS(=O)(=O)C1 1689996933 RJSCPVWTQXERHV-IBGZPJMESA-N 489.617 2.497 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCN1CCOC[C@H]1C 1690031277 FRDQFXUMEQEFMU-LJQANCHMSA-N 468.989 2.045 30 10 JEEE C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)Cc2cccc(OC)c2)CC1 1690273369 TUEZOSBLAYWXLL-UHFFFAOYSA-N 475.553 2.401 30 10 JEEE C=CCN(c1nnc(-c2cc(Br)cn2C)n1CCC(=O)N1CCOCC1)C1CC1 1690538100 AIYWZHKTOFPPRJ-UHFFFAOYSA-N 463.380 2.450 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCC[C@@H]1C 1690577764 MGDOJLRIURYSMW-AZUAARDMSA-N 494.687 2.349 30 10 JEEE C[C@@H](CN1CCOCC1)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CC(=O)N(C)C)CC1 1692739818 CPAPBYJTFJNOPE-FQEVSTJZSA-N 479.629 2.480 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1Cc1cccnc1-n1cccn1 1692766146 DYLRMCZUFJDVQK-QGZVFWFLSA-N 491.581 2.025 30 10 JEEE CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(NC(=O)c2ccsc2)CC1 1697000614 FUKWLKVEVHEGSJ-UHFFFAOYSA-N 463.567 2.413 30 10 JEEE CO[C@@]1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)CCOC1 1697227849 HDQOGAPTUOPDLJ-CJFMBICVSA-N 498.584 2.352 30 10 JEEE CO[C@@H]1COCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](CNC(C)=O)C1 1697697712 BNGDITRVKDJQFV-BAGYTPMASA-N 452.559 2.221 30 10 JEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(Cl)=C(Cl)C1 1705517419 VKTACSLLYVBSHF-MRXNPFEDSA-N 462.403 2.314 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCC[C@@H](O)C1)[C@H]1CCS(=O)(=O)C1 1705561966 WHAZOZIOYBPWIO-LSTHTHJFSA-N 473.555 2.031 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CCC1(COC)CCC1)[C@@H]1CCS(=O)(=O)C1 1705570290 OAZHHELUVSZRBF-HXUWFJFHSA-N 457.600 2.097 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCC[C@H]2C)n1 1705631207 WQYWSYHCZILAFB-WOJBJXKFSA-N 453.591 2.433 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CCN2CCCCC2)CC1 1705634262 PLNAUTRHTKTCLA-UHFFFAOYSA-N 468.602 2.212 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCC(=O)N(C)C)CC1 1705642079 GBTOPICEGFMVEO-UHFFFAOYSA-N 452.603 2.388 30 10 JEEE C#CCSCCn1c(COc2cccc(C)c2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1705664058 IVUTYSGNMDAWMW-NRFANRHFSA-N 482.610 2.299 30 10 JEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cccc(OC)c2)CC1 1705728901 BTZLNWAMVXZPQB-UHFFFAOYSA-N 454.575 2.442 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1705895886 WHISRMWKZHYDEX-NYHFZMIOSA-N 463.485 2.233 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCc2nn(C)c(=O)cc2C1 1705897636 QFEOWQCQENNADQ-OAHLLOKOSA-N 483.960 2.030 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC(Oc2ncccc2F)CC1 1705932617 WYXJAHNFXOOXEI-UHFFFAOYSA-N 460.535 2.456 30 10 JEEE Cc1cc([C@](C)(O)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(CC#N)CC2)c(C)o1 1707042378 GSLYAGFFJIIXNN-QVKFZJNVSA-N 464.592 2.136 30 10 JEEE COC1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CN(CC(C)C)CCO2)C1 1711613650 DVSHVTZRSFVMHQ-NRFANRHFSA-N 454.575 2.311 30 10 JEEE C#CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1722308046 DWTIQDRLQYVKJF-SFHVURJKSA-N 463.991 2.288 30 10 JEEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CCc1c(F)cccc1F)[C@@H]1CCS(=O)(=O)C1 1722364594 LYKDWZSDROWUIL-UZUQRXQVSA-N 494.564 2.078 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCC2(C)CC2)CC1 1722434016 JXYOVAHCUZKRJE-UHFFFAOYSA-N 456.616 2.141 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2C[C@@H]2CCN(CCC)C2)CC1 1722441696 OKXNRJGSAUZYNZ-OAQYLSRUSA-N 452.603 2.353 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@](C)(O)[C@@H](C)CC 1722446548 CZBRSOJVEFFSPX-BXKMTCNYSA-N 452.559 2.075 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1c(OC)cc(OC)cc1OC 1722467613 UIOPQMVIRRSTPK-QMHKHESXSA-N 491.614 2.149 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1722503555 LPOMWQYUGXAGSK-HARLFGEKSA-N 473.549 2.319 30 10 JEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(F)c(OC)c2)CC1 1722609114 SKAOJGXLEISOBD-INIZCTEOSA-N 466.583 2.329 30 10 JEEE C=CCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1722623520 HLSIDPDCYWWAES-HXUWFJFHSA-N 470.599 2.118 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1722693830 BIYGXDXEGDQOAM-AWEZNQCLSA-N 461.364 2.067 30 10 JEEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CCN(C(=O)c2ccco2)CC1 1722701160 IDIRPABYPRTMEE-UHFFFAOYSA-N 462.554 2.311 30 10 JEEE CC(C)NS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](c2ccnn2C)C1 1723660078 CRPUCGQCPLIASM-HXUWFJFHSA-N 482.614 2.262 30 10 JEEE CN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CSCCS1)[C@@H]1CCS(=O)(=O)C1 1729368873 ATGVWUWPQLMRTL-SJLPKXTDSA-N 479.653 2.201 30 10 JEEE N#Cc1ccc(OCc2nnc(N3CCCN(CC(F)(F)F)CC3)n2CCCn2ccnn2)cc1 1731184490 BZMRMBXXCGKMGT-UHFFFAOYSA-N 489.506 2.485 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCn1cc(CO)nn1 1740554915 XOHXLQXYHHENNH-ZWKOTPCHSA-N 472.594 2.025 30 10 JEEE C#CCN(c1nnc(-c2ccc(OCC)c(OC)c2)n1CC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1740618766 BQEMAEKTZOGMGG-FQEVSTJZSA-N 488.610 2.406 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1nnc(C)s1 1740640290 JVBINZBINPFXKX-QGZVFWFLSA-N 471.587 2.062 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1ccc(C)n(C)c1=O 1740646128 QBWWVZCZDDUSKL-UHFFFAOYSA-N 476.968 2.380 30 10 JEEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1noc(CC)n1 1740671822 PNWWXSKXIBLQTB-MRXNPFEDSA-N 459.551 2.234 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCO[C@H]1CCOC1 1740677549 WSIFYISEQMTWEA-FPOVZHCZSA-N 476.574 2.155 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(NC(=O)c2ccco2)cc1 1740684634 XFXKVYRECLPAFU-IBGZPJMESA-N 462.510 2.209 30 10 JEEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@H](C)N2CCN(CC)CC2)CC1 1740699770 SSJUHTFNOSBTOM-DEOSSOPVSA-N 479.673 2.255 30 10 JEEE C#CCSCCn1c(-c2cccnc2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1740715093 RFIJBVSXJZAFIK-OAQYLSRUSA-N 461.595 2.055 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)s2)n1CCNS(C)(=O)=O 1740726798 OTBFRDGZEOEYPC-MRXNPFEDSA-N 458.407 2.310 30 10 JEEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1740742846 DBWCOYBYXMYOPR-LLVKDONJSA-N 450.259 2.486 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccccc2OC)nnc1N1CCN(C(=O)COC)CC1 1740759483 JPHKGNDNAOIVAY-HYBUGGRVSA-N 469.586 2.154 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C(C)C)C1 1740762833 WEFZAAPJDWIWNA-WTGUMLROSA-N 467.636 2.075 30 10 JEEE C=CC[C@@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C)[C@@H](O)C1)c1ccccc1 1740855811 OVQFXIJPLJHIOQ-GBAJDQEWSA-N 489.642 2.178 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CN2CCCC2=O)n1C[C@]1(O)CCSC1 1740914336 PMEAOXGNSZHLTE-HSZRJFAPSA-N 457.600 2.470 30 10 JEEE C=CCn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1740945199 OOUPQMBNHGTFKZ-UHFFFAOYSA-N 494.600 2.023 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 1740957257 HMVKCXSTLLDILJ-UHFFFAOYSA-N 483.935 2.397 30 10 JEEE Cc1ccc(NC(=O)c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCN2CCOCC2)cc1C 1742249689 HTYIIMDLSFUXMC-HSZRJFAPSA-N 455.538 2.312 30 10 JEEE CCCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)N2CCOCC2)CC1 1745772704 BAKPTGNNKIKYTB-LJQANCHMSA-N 465.602 2.280 30 10 JEEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](OC)C(C)(C)C)C1 1746551325 DFWNTONCNFYDRO-PMACEKPBSA-N 490.630 2.308 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCN(CC)C1)[C@@H]1CCS(=O)(=O)C1 1748805288 PXJRLPLUUPMYSB-NVXWUHKLSA-N 495.447 2.004 30 10 JEEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CCCc1nccs1)[C@@H]1CCS(=O)(=O)C1 1748805974 YQQXJLNUMALOSF-XMSQKQJNSA-N 493.655 2.035 30 10 JEEE C#CCN(c1nnc(-c2ccccc2F)n1CCCOC[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1748810432 WEMONFBIRMSIKV-RTBURBONSA-N 476.574 2.154 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCC[C@]2(CCOC2)O1 1748857480 AKHMABWVNONUSW-YZIHRLCOSA-N 499.612 2.388 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(-c2nc[nH]n2)cc1 1748874748 DIGAAZFASOLEJJ-UHFFFAOYSA-N 451.494 2.222 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)N2CCCC2)n1Cc1conc1COC 1748940428 KTFUSPQJHZATLI-UHFFFAOYSA-N 452.490 2.476 30 10 JEEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2CC[C@H](C(F)F)N2CCOCC2)CC1 1748994717 OIHSMJSMRWGANM-JOCHJYFZSA-N 472.584 2.175 30 10 JEEE C#CCSCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1749038221 ITWDEAWJJZMQOQ-RBUKOAKNSA-N 488.658 2.474 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CCOC)C(=O)C1 1749122480 WNVCPXZDXZMAIL-IRLDBZIGSA-N 450.543 2.093 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCCN(S(C)(=O)=O)CC1 1749127111 JUACDIXLONEOPR-QUCCMNQESA-N 460.604 2.101 30 10 JEEE CO[C@H]1CCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1749156115 HVKXVZBESSOZSK-FPOVZHCZSA-N 472.615 2.492 30 10 JEEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1749403036 VHDCLFJOKOHPFA-OALUTQOASA-N 451.637 2.226 30 10 JEEE C=CCCOCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@@H](C(=O)OC)C1 1749458068 XHHGEANCNSFXAG-HXUWFJFHSA-N 469.590 2.434 30 10 JEEE CC(=O)N1CCCN(c2nnc(-c3cccc(Cl)c3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1749828283 AEDJHQDHBYSYCO-LSDHQDQOSA-N 483.960 2.184 30 10 JEEE CC(C)NS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1751002869 CMVOFBBPVFXVLJ-FQEVSTJZSA-N 469.571 2.051 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCc1noc(CC)n1 1760121090 SBMXVSBGDVNPJO-HXUWFJFHSA-N 462.602 2.289 30 10 JEEE C#CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1CCS(=O)(=O)NC(C)C 1760167419 PLKFHPZQEJQTGK-UHFFFAOYSA-N 454.394 2.413 30 10 JEEE C#CCN(CC#C)c1nnc(CCCOc2ccc(Cl)cc2C)n1C[C@@]1(O)CCN(C)C1 1760207063 WGLFEPBZUPPRDI-XMMPIXPASA-N 455.990 2.391 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2N(C)CCCC2(C)C)CC1 1760261423 RCBWNYXQNSJOFI-HXUWFJFHSA-N 469.659 2.145 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1760323866 HMLSUPSATQCUGO-PXNSSMCTSA-N 455.625 2.046 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1)C(C)C 1760489743 JDLWPLDWSCXWDO-FBROZUCGSA-N 472.634 2.312 30 10 JEEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCCN(C(C)=O)C1 1760503784 POLRKHUYBHSOBQ-IBGZPJMESA-N 479.585 2.089 30 10 JEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](c2nc(C)c(C)s2)C1 1760510288 PLSVUNSCBUZVBE-DLBZAZTESA-N 466.633 2.254 30 10 JEEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCOC2(CCC2)C1 1760523721 GSBWYRGPSYMVDG-UHFFFAOYSA-N 474.606 2.454 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1762301949 HNIOBORUEUUFHG-NVXWUHKLSA-N 463.583 2.181 30 10 JEEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(-c2ccccn2)n1CC(C)(C)CN(C)C 1763043226 AUDWASDHNDMWFV-GOSISDBHSA-N 460.590 2.305 30 10 JEEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(Cc1ccco1)C[C@H]1CCCO1 1767846962 DBAHFSSCPJEBNE-HXUWFJFHSA-N 470.555 2.145 30 10 JEEE CSC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@@H](CNS(C)(=O)=O)C2)CC1 1770476413 HZHRSIUEPMPWCT-SFHVURJKSA-N 490.655 2.390 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCCN(Cc2ccc(OC)cc2)C(=O)C1 1772567100 MSNQTYVSPNDQQE-NRFANRHFSA-N 482.585 2.069 30 10 JEEE C=CCNC(=O)C1=C(N)Oc2c(c(CC)nn2CC)[C@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1864896161 ZGHXCWIMPUATJA-QGZVFWFLSA-N 455.471 2.142 30 10 JEEE CC(=O)n1ncc2c(C(=O)Nc3c(C#N)nnn3-c3ccc(N4CCN(C)CC4)cc3)cccc21 1870158159 OLJRMBRGWWBOCD-UHFFFAOYSA-N 469.509 2.153 30 10 JEEE CN1CCN(CC#CCOC2CCN(C(=O)c3csc(NC(=O)c4cccc(F)c4)n3)CC2)CC1 1889771008 UNGMHVDFKLYDAZ-UHFFFAOYSA-N 499.612 2.407 30 10 JEEE COc1cc(OC)c(C(=O)N2CCC(OCC#CCN3CCN(C(C)C)CC3)CC2)cc1OC 1890409943 WFKVYOQUASUKSB-UHFFFAOYSA-N 473.614 2.363 30 10 JEEE CS(=O)(=O)c1ccc2nc(N3CC(C(=O)NCC#CCN4CCc5ccccc5C4)C3)sc2c1 1890681484 LPIYTAYYQXTZGL-UHFFFAOYSA-N 494.642 2.314 30 10 JEEE CC(C)N1CCN(CC#CCOC2CCN(S(=O)(=O)c3cc(F)c(F)cc3F)CC2)CC1 1890985404 XJCGSBFHIBWTPE-UHFFFAOYSA-N 473.561 2.303 30 10 JEEE CC(C)N1C(=O)CS[C@H](C(=O)NCc2nnnn2-c2ccccc2)[C@@H]1c1ccc(C#N)cc1 1891717591 MJBQXSJZCRFTCX-VXKWHMMOSA-N 461.551 2.244 30 10 JEEE Cc1cccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CCC(COc3nccnc3C#N)CC2)c1 1891997862 PHTNSEXKWGUWFR-OAQYLSRUSA-N 469.567 2.127 30 10 JEEE COC(=O)[C@@H](CC(=O)N(C)c1cccc(B2OC(C)(C)C(C)(C)O2)c1)NC(=O)OC(C)(C)C 2180985714 SLWGVHRRMXBTQG-QGZVFWFLSA-N 462.352 2.405 30 10 JEEE C#CC(CO)(CO)NC(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C)CC 2245489477 BRHLZSNHIBOHSZ-GAJHUEQPSA-N 450.535 2.413 30 10 JEEE CC(C)(C)OC(=O)NCC=CCNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2247986111 QUOPXFRXSPRHSQ-UHFFFAOYSA-N 458.411 2.407 30 10 JEEE C=CCC1(NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](O)C(F)(F)F)CN(C(=O)OC(C)(C)C)C1 2254213934 VAPNDPJTELACEJ-OLZOCXBDSA-N 467.485 2.485 30 10 JEEE C[C@H](CC1CN(C(=O)OC(C)(C)C)C1)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2256614212 LPJUQJREXMSGDC-GFCCVEGCSA-N 452.386 2.091 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](NC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)CCO1 2267162039 KKEHWHVKIDBQNJ-UONOGXRCSA-N 467.397 2.244 30 10 JEEE Cc1ccc(S(=O)(=O)NC[C@H]2C[C@H]2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2267360388 UFWLODUZXYDFGN-NVXWUHKLSA-N 466.409 2.486 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1CCN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2267363829 OYNAYFNKPCEUKE-CQSZACIVSA-N 470.372 2.413 30 10 JEEE CC(C)(C)OC(=O)N1CC2(C[C@@H](O)CN2C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2267560990 JXSQFRRHUQQKPM-CQSZACIVSA-N 464.393 2.244 30 10 JEEE CC(C)(C)OC(=O)NC1CCN(S(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)CC1 2267705842 NHABOJSQJUMTDO-UHFFFAOYSA-N 487.453 2.261 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)Nc1nc(B2OC(C)(C)C(C)(C)O2)ccc1Cl 2268631891 DNWRWCBGMDGCBK-TZMCWYRMSA-N 467.759 2.343 30 10 JEEE CC(C)(C)OC(=O)N[C@](C)(CC(F)(F)F)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2268667400 YGYZNXMSOLSXRV-QGZVFWFLSA-N 480.318 2.434 30 10 JEEE COCC1(NC(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2F)CN(C(=O)OC(C)(C)C)C1 2281763632 OQJMJXHCIKSRAZ-UHFFFAOYSA-N 464.343 2.491 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](CNC(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)OCC12CC2 2281794758 KYFKYGRANYXSAI-CQSZACIVSA-N 479.408 2.341 30 10 JEEE Cn1nc(C(=O)NCC2CC3(C2)CN(C(=O)OC(C)(C)C)C3)cc1B1OC(C)(C)C(C)(C)O1 2281963506 MEGIZZOQLPCVLL-UHFFFAOYSA-N 460.384 2.096 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@H]2CCN(C(=O)c3sncc3B3OC(C)(C)C(C)(C)O3)C[C@H]21 2282020463 YSIFNAAWZMMDBZ-HZPDHXFCSA-N 479.408 2.293 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)c3ncc(B4OC(C)(C)C(C)(C)O4)cn3)C[C@]2(C)C1 2282030091 AGOPJRHSRLWDOH-NPMXOYFQSA-N 458.368 2.105 30 10 JEEE C[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)N(C(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)C1 2282033923 AOPIXSVGEPUZTE-JKSUJKDBSA-N 462.400 2.485 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@]2(C[C@@H](NC(=O)c3ccoc3B3OC(C)(C)C(C)(C)O3)CO2)C1 2282054911 WXPGQQDFJFBBHY-IQMFZBJNSA-N 462.352 2.477 30 10 JEEE CC[C@@](C)(CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C)N(C)Cc1ccccc1 2282330238 WVUBPCYLMGRZLZ-QHCPKHFHSA-N 476.452 2.298 30 10 JEEE CC[C@@H]1CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)nn2C)CCN1Cc1ccccc1 2282345218 YUULWDGDGRWGIW-LJQANCHMSA-N 474.436 2.004 30 10 JEEE C[C@@H]1CCN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C[C@H]1NC(=O)C(F)(F)F 2282536104 YDQKPQUGPJLJPT-BXUZGUMPSA-N 459.249 2.049 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@]12CCCN(C(=O)OC(C)(C)C)C[C@H]1C2 2282536178 YZOGDYLVRYKIFM-IQMFZBJNSA-N 460.384 2.239 30 10 JEEE CO[C@@H]1CN(C(=O)c2nccc(C)c2B2OC(C)(C)C(C)(C)O2)C[C@H]1NC(=O)OC(C)(C)C 2282559603 QFNIZRSKGWMFMV-HZPDHXFCSA-N 461.368 2.053 30 10 JEEE Cc1nn(C)c(C(=O)N2CCC(CNC(=O)OC(C)(C)C)CC2)c1B1OC(C)(C)C(C)(C)O1 2282559846 RLQIGWIUBKAUNO-UHFFFAOYSA-N 462.400 2.405 30 10 JEEE Cn1cc(C(=O)N=S2(=O)CCC(NC(=O)OC(C)(C)C)CC2)c(B2OC(C)(C)C(C)(C)O2)n1 2282576640 TUKISYFQIFLUKL-UHFFFAOYSA-N 482.412 2.015 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H]2CN(C(=O)c3ncncc3B3OC(C)(C)C(C)(C)O3)CC[C@@H]21 2282706030 GYALTDNUBINADE-WBVHZDCISA-N 458.368 2.247 30 10 JEEE C[C@H](C(=O)N1CCC(=CB2OC(C)(C)C(C)(C)O2)C1)N1CCN(C(=O)OC(C)(C)C)CC1=O 2284069919 YYYOVQWHAHJDFB-MRXNPFEDSA-N 463.384 2.244 30 10 JEEE COc1ccc(F)cc1C(O)=C1C(=O)C(=O)N(CCCN2CCOCC2)[C@H]1c1cccnc1 2296616815 ZCZZNXYFPUZARS-NRFANRHFSA-N 455.486 2.373 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCN(c2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)C[C@@H]1CO 2345725208 UTKFXMCBJWLAPD-PBHICJAKSA-N 451.348 2.232 30 10 JEEE C=C1CC(NS(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)OC)(C(F)(F)F)C1 2368729215 JDTOQVJEPYDJCH-AWEZNQCLSA-N 450.435 2.025 30 10 JEEE COc1ccc(/C(C)=N/Nc2nnc(SCC(=O)NCc3ccc(F)cc3)n2N)cc1OC 21317223 VGUQDUFCPYGVIS-DHRITJCHSA-N 473.534 2.393 30 10 JEEE CCOC(=O)[C@@H]1CCCN(c2nc(O)c3c(n2)NC(=O)[C@H](C#N)[C@H]3c2cccc(OC)c2OC)C1 256034306 ZZOJETANXOBFRA-FRFSOERESA-N 481.509 2.203 30 10 JEEE C=CCN(CC(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1)Cc1cccc([N+](=O)[O-])c1 557030544 JCVDLGJRKWSWCG-UHFFFAOYSA-N 494.520 2.394 30 10 JEEE C#CCOc1cc(OCC#C)cc(C(=O)NCc2ccc(COc3nc(N)nc4[nH]cnc34)cc2)c1 575598619 ADFXOGCSQUSRLX-UHFFFAOYSA-N 482.500 2.468 30 10 JEEE CCN1C(=O)COc2ccc(C(=O)C[S@](=O)CC(=O)Nc3sc4c(c3C#N)CCC4)cc21 586298161 IKSQLJJYKWFWFZ-YTTGMZPUSA-N 471.560 2.424 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)C[S@@](=O)CC(=O)Nc3nnc(C(C)C)s3)cc21 586307899 VBQRPQBMRRUZJX-WJOKGBTCSA-N 462.553 2.143 30 10 JEEE N#Cc1c(N)n[nH]c1CCCNC(=O)C(=O)Nc1cc(Br)ccc1Br 603697359 HYNWAMUPEWAQSD-UHFFFAOYSA-N 470.125 2.076 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)Nc3cccc(S(=O)(=O)N(CC)CC)c3)cc2C1=O 757754541 DCYVFQGSPUYRPG-UHFFFAOYSA-N 499.545 2.295 30 10 JEEE COc1ccc(NC(=O)CCSc2n[nH]c(NN=Cc3c(C)nn(CCO)c3C)n2)cc1 1084303322 NNJFUZCMHLSOFS-UHFFFAOYSA-N 458.548 2.186 30 10 JEEE C#CCN(CC(=O)Nc1cc(C(F)(F)F)ccc1N1CCNC(=O)C1)C(=O)OC(C)(C)C 1163988888 XDYDHIDJUPMHNK-UHFFFAOYSA-N 454.449 2.450 30 10 JEEE C=CCC[C@@H](NS(=O)(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C)C(=O)OCC 1190403232 RRRKBVBMDBJJFC-GOSISDBHSA-N 458.602 2.346 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2CC2(C)CCOCC2)c1 1286311663 LXIIZMJUFCMGCT-UHFFFAOYSA-N 464.570 2.273 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1CCN(C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1286386934 KASZQQGLUSAZEZ-FQEVSTJZSA-N 452.584 2.047 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H](CC)Oc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1286395643 SISIZJPPNCAYPD-QRVBRYPASA-N 476.574 2.405 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(Br)s2)n1CCN1CCN(C(C)=O)CC1 1286406128 QPTYPVROOYXHRK-UHFFFAOYSA-N 475.416 2.006 30 10 JEEE C#CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCc1ccncc1 1286458898 DYBFFEDGUSMCQK-UHFFFAOYSA-N 467.599 2.270 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(F)ccc1SC 1286467280 OLECLUFIOGXQJH-HNNXBMFYSA-N 452.577 2.176 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(OC)cc3)n2CCN2CCC[C@H]2C)CC1 1286494069 ZBKHLNIQJLSJQE-HXUWFJFHSA-N 480.613 2.316 30 10 JEEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1286511037 FVAREKVPLPGCTO-NHCUHLMSSA-N 457.648 2.053 30 10 JEEE C=CCCCn1c(Cc2ccccn2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1286702334 LDQREJFYQJMGHL-UHFFFAOYSA-N 450.547 2.287 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@H](C)O[C@@H](c2ccccc2)C1 1286780096 BMIXLWKFMBYEMC-FXAWDEMLSA-N 454.575 2.465 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCN(C(C)C)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1286825707 VFWUNTNGBIFXPU-KDURUIRLSA-N 496.678 2.180 30 10 JEEE CC(C)(C)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1287042173 BYTQLUPRIWVTPP-FQEVSTJZSA-N 485.658 2.409 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CCC(=O)NC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1300488155 BDVCOPAOSVCDPC-HXUWFJFHSA-N 471.627 2.439 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1CC1(N2CCCC2)CCOCC1 1300595467 BGWJJKZNHCLIET-VXKWHMMOSA-N 455.603 2.110 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)Oc2ccc(Cl)cc2)CC1 1300681670 YGIRGVHTRGHNIP-GOSISDBHSA-N 456.978 2.390 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Cl)n2CCC(=O)NC(C)C)CC1 1300719380 YSSAJZHLIQRZIV-UHFFFAOYSA-N 456.978 2.479 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CC(C)(C)NC(=O)OC(C)(C)C)CC1 1300724651 AVCWIDWAWZJBJD-GOSISDBHSA-N 474.606 2.051 30 10 JEEE C=C(Br)Cn1c(COc2ccccc2F)nnc1N1CCN2C(=O)NC[C@@H]2C1 1300861154 AGBLKWMYXOBDBQ-CYBMUJFWSA-N 451.300 2.119 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C(=O)NC)CC1 1300869105 JFHBZFQYPOAIHN-UWJYYQICSA-N 470.574 2.405 30 10 JEEE C=C(C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(S(C)(=O)=O)CC1 1300950901 QYJRFCYTIIBWKU-QGZVFWFLSA-N 468.624 2.050 30 10 JEEE C=C1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2CCNS(C)(=O)=O)CC1 1301075549 ITJYPDRDEWRQBO-UHFFFAOYSA-N 470.393 2.422 30 10 JEEE N#Cc1ccc(S(=O)(=O)NCC(=O)Nc2cc(-c3ccc(Br)o3)no2)cc1 1306737967 AOLZJAHYPKIBJU-UHFFFAOYSA-N 451.258 2.486 30 10 JEEE C#CCN(C(=O)NCCN1C(=O)c2ccccc2C1=O)C1CCN(C(=O)OC(C)(C)C)CC1 1311711878 GITVXXCOCSAGPK-UHFFFAOYSA-N 454.527 2.327 30 10 JEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)[C@@H]2CCO[C@H]2CNC(=O)OC(C)(C)C)cc1 1355508319 MNZAVLLYXDZGJQ-MSOLQXFVSA-N 453.561 2.361 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ccc(NC(C)=O)nc1 1358890466 PWGLVDBJXVDEPL-KRWDZBQOSA-N 459.558 2.312 30 10 JEEE C#CCN(c1nnc(-c2ccc(Br)s2)n1C[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1358958539 QLEMULAULUNFBN-ZIAGYGMSSA-N 485.429 2.432 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2C[C@@H](C)O[C@H](C)C2)CC1 1359041636 DBSIYHMYKQACHN-NHCUHLMSSA-N 489.624 2.282 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2CCC2CCOCC2)CC1 1359046942 LQMXPHAIOIHZCE-UHFFFAOYSA-N 484.626 2.052 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2CCc2cccc(C(N)=O)c2)CC1 1359047252 XUAJFOULIQFSOO-UHFFFAOYSA-N 462.598 2.318 30 10 JEEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1359052760 OWZJEPKKFVKMMP-MRXNPFEDSA-N 491.547 2.360 30 10 JEEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)NCC)CC1 1359152496 YVACBPVFWMGDLH-INIZCTEOSA-N 484.001 2.191 30 10 JEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCC(C)(C)C)CC1 1359227868 OFVNROVBYGVYAB-IBGZPJMESA-N 453.653 2.331 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCCN(C(C)=O)CC1 1359295412 AOFXKEWVMLSCAG-UHFFFAOYSA-N 491.390 2.077 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1359332559 ANDTZVHENPXYNB-IRXDYDNUSA-N 465.570 2.421 30 10 JEEE CC(C)(C)C(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC2CC2)C1 1359488403 ALVUILQYODFFQY-HXUWFJFHSA-N 463.586 2.474 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1ccccc1CN1CCCC1=O 1360692856 AOHJYKXEKQZFNG-MHECFPHRSA-N 499.641 2.189 30 10 JEEE CCOC(=O)c1c(NC(=O)NCc2ccccc2N2CCOCC2)c(C#N)cn1CCOC 1476378283 AJEKWBHCUJFRIA-UHFFFAOYSA-N 455.515 2.341 30 10 JEEE C#CCN(CC#CC)c1nnc(COc2cccc(C)c2)n1CCS(=O)(=O)N1CCSCC1 1507672406 AHYIZIKWLLNROC-UHFFFAOYSA-N 487.651 2.007 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cccnc2OCC)CC1 1507727447 PTBZDOZZMVJBQQ-UHFFFAOYSA-N 457.538 2.326 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@]2(N(C)C)CCC[C@@H](C)C2)CC1 1507738002 HMJPTRBETVXYCK-CLOONOSVSA-N 464.618 2.211 30 10 JEEE C=C(C)COCCn1c(-c2ccccc2F)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1507839488 FUCJWBVXPYKGED-KRWDZBQOSA-N 451.568 2.443 30 10 JEEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(c2cc(OC)cc(OC)c2)CC1 1507852564 BHEYTOZSQCQMRL-MRXNPFEDSA-N 499.037 2.375 30 10 JEEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1507936461 DBAWANZQZACYEV-QGZVFWFLSA-N 463.546 2.289 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3Br)n2CC(=O)N2CCOCC2)C1 1508111630 HMQKBEKIHKBVAH-INIZCTEOSA-N 476.375 2.348 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@@]2(CCOC2)C1 1508136687 UTHGFKYLUMYUAC-JOCHJYFZSA-N 462.572 2.180 30 10 JEEE CC(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC1 1508218780 DBYCYAVWEVYUEL-HXUWFJFHSA-N 491.518 2.138 30 10 JEEE C[C@H]1C[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCCN(S(C)(=O)=O)CC2)CCO1 1512012405 AVRJRDWNEXBQSS-PKOBYXMFSA-N 458.588 2.104 30 10 JEEE CC[C@H](C)NC(=O)CCn1c(C2CCC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1513180139 GNMHVTUNDZSJHI-INIZCTEOSA-N 453.595 2.091 30 10 JEEE CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)CCO1 1517533308 ALLFHANRPZGGCS-VQIMIIECSA-N 483.573 2.023 30 10 JEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](c2ccccc2OC)C1 1539072904 YPBZCGMFNRZUPO-SIKLNZKXSA-N 487.626 2.417 30 10 JEEE C#CCN(C)c1nnc(COc2ccc(F)cc2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1539195074 LGRZRWGXJNYXNH-YLJYHZDGSA-N 461.563 2.270 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CCc1nnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1539220984 XNIZBSWAYWRGCC-OAHLLOKOSA-N 492.577 2.176 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCSCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1539223257 ZYSPOYVZVWSSHR-HUUCEWRRSA-N 466.551 2.442 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CC1(OC)CCCCC1)[C@H]1CCS(=O)(=O)C1 1539226447 YFMGMDAEGOFPIH-FQEVSTJZSA-N 457.600 2.240 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2ccccn2)n1C[C@@H]1C[C@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1539272219 VJKVNRAUPJOSFE-BVSLBCMMSA-N 476.581 2.361 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1ccncc1 1539415934 ICSZERZTGJWSAY-FQEVSTJZSA-N 470.574 2.310 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCOC2CCCCCC2)CC1 1539428388 QTSJNTZSKNBIQZ-UHFFFAOYSA-N 451.575 2.420 30 10 JEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(O)(c2c(F)cccc2F)CC1 1539512271 BDWZRNWNAZVUNJ-QGZVFWFLSA-N 461.538 2.362 30 10 JEEE C=C(Cl)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1539775963 ROXJBCOZSORRIQ-MRXNPFEDSA-N 478.956 2.483 30 10 JEEE C=CCCOCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1540033735 PDWJGRLYMNCNAI-HXUWFJFHSA-N 456.572 2.347 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc(-c2ccccn2)n1CC1(O)CCS(=O)(=O)CC1 1540126506 IBSWCAGYXOWNKS-UHFFFAOYSA-N 453.568 2.472 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1540864963 QFSANCHCTCHVAD-KRWDZBQOSA-N 476.528 2.007 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1C[C@H]2CCCN2C[C@H]1C 1540907013 JFESMXVXSBZAGZ-WOJBJXKFSA-N 459.616 2.439 30 10 JEEE C=CCN(C(=O)CCn1c(S)nnc1-c1ccc(OCC)cc1)[C@@H]1CCS(=O)(=O)C1 1583030264 HUFAPFSHLGBETO-MRXNPFEDSA-N 450.586 2.224 30 10 JEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCC(=O)NCc1ccccc1 1587921536 ASVHENYMWMTTDZ-UHFFFAOYSA-N 479.610 2.323 30 10 JEEE C#CCN(c1nnc(C(C)C)n1C[C@@H]1CN(Cc2ccccc2)CCCO1)[C@H]1CCS(=O)(=O)C1 1588030086 PILFUZHPPCXNAW-GOTSBHOMSA-N 485.654 2.319 30 10 JEEE C#CCN(c1nnc(-c2ccccc2)n1Cc1ncccc1N(C)C)[C@@H]1CCS(=O)(=O)C1 1588045705 OZEVNTLQMPFWAZ-LJQANCHMSA-N 450.568 2.081 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2OC)n1Cc1ccc(-n2cncn2)nc1 1588113260 JFVPINJERMLOPR-UHFFFAOYSA-N 454.494 2.059 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(C)(C)C(=O)NC 1588133443 GMKQAHRRHXVCFQ-GOSISDBHSA-N 456.591 2.238 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1cccnc1OC 1588280827 RUERJQZWCFEXHC-UHFFFAOYSA-N 454.556 2.107 30 10 JEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(c2ccc(OC)cc2)CC1 1589059764 JTBUOYIHKPOHTA-FQEVSTJZSA-N 454.600 2.321 30 10 JEEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1589460436 PCSLPOFFVJJWNC-ATZDWAIDSA-N 481.439 2.417 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1589548352 YROVWFVMWXVTLT-FYQPLNBISA-N 493.674 2.293 30 10 JEEE C=C(C)COCCn1c(N2C[C@H](C)[C@H](N3CCOCC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1593769341 MPFKYBVMXKGBMF-YZUZCNPQSA-N 463.623 2.068 30 10 JEEE C=C(Cl)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1593834074 HQORNFXHKQAUSS-OAQYLSRUSA-N 466.007 2.402 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCOC(C)(C)C 1594498322 SLJCEMMNLRBBIQ-KRWDZBQOSA-N 457.641 2.465 30 10 JEEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1594733842 YTECMTJKBLWTHV-MRXNPFEDSA-N 452.650 2.150 30 10 JEEE CCc1nn(C)c(OC)c1Cn1c(-c2cccc(C#N)c2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1613899654 BTTGFQGZHQKUSV-GOSISDBHSA-N 483.598 2.183 30 10 JEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCCC[C@H]1C(=O)OCc1ccccc1 1618743810 GXNIIBMYZQUNKD-UWJYYQICSA-N 455.536 2.350 30 10 JEEE COCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1619770503 HNUTZTHPOWDEKH-OFVILXPXSA-N 481.601 2.186 30 10 JEEE C=CC[C@H](CO)CNC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(Br)s1 1624242467 CKUKMBMZRLTVNT-QWHCGFSZSA-N 451.408 2.355 30 10 JEEE COc1ccc(O[C@H](C)CNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 1632451809 FNADYBJMWYERRY-QGZVFWFLSA-N 458.540 2.050 30 10 JEEE CCC(O)(CC)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(c2ccccc2C#N)CC1 1649575584 DDGQEPDELIWGMU-SFHVURJKSA-N 489.646 2.028 30 10 JEEE C#CCN(c1nnc(-c2ccc(Br)cc2)n1CCC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1689982427 NBEARPPKYPBWSY-KRWDZBQOSA-N 481.416 2.495 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1689983381 AJLVYKRZRYUXGA-UFYCRDLUSA-N 489.642 2.361 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCCn2ccnc2C)CC1 1690110206 CFUQROJEXIXRTR-UHFFFAOYSA-N 481.004 2.212 30 10 JEEE C=C(Br)Cn1c(-c2cccc(C)n2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1690226896 PLIURURXJNSCLJ-MRXNPFEDSA-N 474.363 2.324 30 10 JEEE C=C(Br)Cn1c(CC(C)(C)C)nnc1N1CCN([C@H](C)C(=O)NCCCOC)CC1 1690229295 SDFLDWMAGPTWHM-QGZVFWFLSA-N 485.471 2.439 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC(CC(=O)NC)CC2)nnc1[C@@]1(OCC)CCOC1 1690252948 KQWVHJAXTXYHRU-NHCICSSKSA-N 461.607 2.264 30 10 JEEE C=C(C)COCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1690312682 AKPZMDMRALTYSW-YLJYHZDGSA-N 462.572 2.397 30 10 JEEE CC(=O)N1CCC[C@H](Cn2c(-c3cc(Br)cn3C)nnc2N2CCO[C@@H](C#N)C2)C1 1690804621 SLKUTAZWPCOMOL-RDJZCZTQSA-N 476.379 2.033 30 10 JEEE CO[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1)C(C)C 1697152586 GGDLYDVQSFGGSS-AVRDEDQJSA-N 465.602 2.277 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1CCC(=O)N1CCOCC1 1705482258 VYRRQOCVYUJWDF-OAHLLOKOSA-N 476.375 2.423 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2Cc2cc(OC)c(OC)c(OC)c2)CC1 1705648996 GOMLWWCNMZWRPO-UHFFFAOYSA-N 490.564 2.380 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)Oc1ccccc1C 1705674699 OKVVNZYCWIHHAR-ZCVJKFOLSA-N 487.626 2.379 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)CC 1705864672 JDPCCJMAKLKMOU-SIKLNZKXSA-N 481.594 2.104 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H]1c1ccc(OC)cc1OC 1705894411 XWHRSPYTENTCHZ-LJQANCHMSA-N 468.558 2.175 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H](CNC(=O)CCC)C1 1705895617 MOWWDERLVKSDFD-OAHLLOKOSA-N 492.422 2.471 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H](c1cccc(OC)c1)N(C)C 1708756356 ARATXAMLCQBMKU-LEWJYISDSA-N 469.590 2.237 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccccc1CN1CCC[C@H]1CO 1722305964 NAKSAMLBSCJNDC-HCUBDLJJSA-N 467.614 2.465 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2CC2CCS(=O)(=O)CC2)c1 1722306961 PLRXWLSNGAAQAV-HXUWFJFHSA-N 471.583 2.011 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1C[C@@](C)(O)CCC)[C@@H]1CCS(=O)(=O)C1 1722363289 FCXOCTURUPLCAJ-UZLBHIALSA-N 498.447 2.224 30 10 JEEE C#CCN(CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@]1(O)CCS(=O)(=O)C1 1722405003 HXEGTZXBZIETNW-XMMPIXPASA-N 467.595 2.362 30 10 JEEE C=C(C)CN(CC)c1nnc(CN2CCCC2=O)n1Cc1ccccc1CN1CC[C@H](O)C1 1722516356 YIUCBUCUYFYRPS-QFIPXVFZSA-N 452.603 2.418 30 10 JEEE C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ncccc2C#N)CC1)c1ccccc1 1722539221 JMZQAQYNEIRFDU-IBGZPJMESA-N 492.609 2.195 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCCOC2)n1CC1(O)CCS(=O)(=O)CC1 1722657919 BKBUZQHOPRNWEU-HXUWFJFHSA-N 460.600 2.304 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1722701815 FTRRDJWDUWXZPT-KRWDZBQOSA-N 494.518 2.281 30 10 JEEE CC(=O)N1CCN(CCn2c([C@@H](C)Oc3ccccc3F)nnc2N(C)C[C@H](C)C#N)CC1 1722795347 HRJFKZXNBVLQPV-QZTJIDSGSA-N 457.554 2.317 30 10 JEEE CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)CCC2CCCC2)CC1 1729311327 CKCVOVJSPJZTDG-UHFFFAOYSA-N 493.612 2.436 30 10 JEEE C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@H]1CCC(F)(F)C1)[C@@H]1CCS(=O)(=O)C1 1740617165 NFFRRFLJRXPHND-YESZJQIVSA-N 460.547 2.064 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CC1(OC)CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1740617941 ZDXOLDXKDGJGOL-XGKKNITLSA-N 494.658 2.152 30 10 JEEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1CCNC(=O)c1ccc(C)cc1 1740674242 ZCZJEFNQIFEJNM-UHFFFAOYSA-N 450.568 2.468 30 10 JEEE C#CCN1CCN(c2nnc(CC3CCCC3)n2CCOc2ccc(S(C)(=O)=O)cc2)CC1 1740699149 WBMKHSUEGMWSBJ-UHFFFAOYSA-N 471.627 2.249 30 10 JEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC(NC(=O)c2ccccc2C)CC1 1740709608 JGVLLKZIKUFTDF-UHFFFAOYSA-N 468.627 2.490 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(CC(=O)NCC)CC1 1740761329 VVINIJRXKRNMEV-GBXCKJPGSA-N 470.593 2.247 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN(c2nc(C)c(C)s2)CC1 1740989787 YACGZRIZJXZUCO-UHFFFAOYSA-N 475.644 2.284 30 10 JEEE CCC[C@@H](C)C(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC2(CC1)CNC(=O)C2 1745202578 CKAGAHOHVRDIJI-LJQANCHMSA-N 493.612 2.388 30 10 JEEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1ccc(N2CCCC2)nc1)[C@@H]1CCS(=O)(=O)C1 1748805189 PQLYHAFIIXPXAC-AZUAARDMSA-N 456.616 2.462 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2Cc2ccn(C)n2)CC1 1749003573 NMPJRCAIIUIVEB-UHFFFAOYSA-N 469.496 2.294 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCCN2CCOCC2)CC1 1749015984 VODNBDNGSDTCLV-UHFFFAOYSA-N 494.640 2.162 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1749130967 OXOGPOMPWSCZQN-BDXSIMOUSA-N 491.580 2.234 30 10 JEEE COCC[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1749601698 AYOVCBYVNYZMHG-DYESRHJHSA-N 480.491 2.109 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN2CCCC[C@@H]2C1 1749650038 HMETZQYRQRQSDS-HXUWFJFHSA-N 451.575 2.124 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCO[C@H](CC)C1 1749666663 PGGIVEVQRISDBN-QGZVFWFLSA-N 465.558 2.153 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1749676435 PZHPNIMTIGMGNK-SFHVURJKSA-N 470.574 2.283 30 10 JEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1CCC1(O)CCC1)[C@H]1CCS(=O)(=O)C1 1760185868 FYTTUMWNHDTDRA-IBGZPJMESA-N 463.003 2.454 30 10 JEEE C#CCN(c1nnc(CC)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1760186861 RKWQPIVSWYQLKO-SJORKVTESA-N 453.609 2.017 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1CC1(CCOCC)CCC1)[C@H]1CCS(=O)(=O)C1 1760193181 VXNYHYOYDDLHGQ-RBUKOAKNSA-N 450.605 2.353 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CC2(O)CCC2)CC1 1760267649 VEWIWQKYCDVQAL-UHFFFAOYSA-N 467.570 2.233 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@H]2CCCO[C@@H]2C(C)C)CC1 1760268858 QLKJBKFZRFYDHK-TZIWHRDSSA-N 451.575 2.152 30 10 JEEE C=C(C)Cn1c(N2CCN(C(=O)COc3ccc(F)cc3)CC2)nnc1[C@@]1(OCC)CCOC1 1760349609 SBTCHNLSUMKTNH-XMMPIXPASA-N 473.549 2.373 30 10 JEEE C=C(C)COCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1760351813 MMHRVIGHLSEFEJ-MSOLQXFVSA-N 487.557 2.498 30 10 JEEE C=CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1760435143 ZBLMOHVMSHZDRM-IBGZPJMESA-N 456.576 2.291 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cc(F)cc(OC)c2)C1 1760542072 CRGIHYHWWIXPSZ-SJLPKXTDSA-N 450.536 2.158 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC(Oc2ccc(OC)cc2)CC1 1760553991 NYVRLSFCUZWKQU-UHFFFAOYSA-N 486.598 2.336 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@@H](NC(C)=O)C1 1760557715 UNUGOISSNLHEQO-HXUWFJFHSA-N 475.615 2.180 30 10 JEEE CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1Cc1cc(F)ccc1F 1766395915 GKICACCSNMORHG-UHFFFAOYSA-N 456.501 2.381 30 10 JEEE CSC[C@@H]1CCCN1c1nnc(COc2ccc(C#N)cc2)n1CCC(=O)N1CCOCC1 1771447449 GBMBBNHAPZTCHA-IBGZPJMESA-N 470.599 2.309 30 10 JEEE CCCCCCCCNC(=O)[C@@H](CC(N)=O)NC(=O)c1cccn(Cc2ccc(F)cc2)c1=O 1861306445 DXFBIGXWLPTERC-OAQYLSRUSA-N 472.561 2.486 30 10 JEEE C=CCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2C)[C@@H]1c1cc(OC)c(OC)cc1OC 1864871980 VZUZOSKPJPDSML-AWEZNQCLSA-N 468.432 2.462 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)N2CCOCC2)cn1Cc1ccc(F)cc1 1870582079 QMHQZBPVBPBLGW-UHFFFAOYSA-N 455.530 2.447 30 10 JEEE C=CCn1c(C(=O)N2CCN(c3ccccc3OC)CC2)cc2c(N3CCN(C)CC3)ncnc21 1873561145 HBMQRQJNMYESIG-UHFFFAOYSA-N 475.597 2.340 30 10 JEEE COc1ccccc1OCC#CCNC(=O)[C@@H]1SCC(=O)N(C2CC2)[C@H]1c1cccnc1 1889466275 QVPXRHLMBMJZSH-XZOQPEGZSA-N 451.548 2.436 30 10 JEEE CO[C@H]1[C@@H](C(=O)N2CC(CB3OC(C)(C)C(C)(C)O3)C2)N(C(=O)OC(C)(C)C)C[C@H]1OC 2140536447 VIFGLRMSSJHVLT-IXDOHACOSA-N 454.373 2.186 30 10 JEEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cc(N)cc(Br)c2F)[C@@H](C#N)C1 2162920863 HGSPQPDZDHZZRU-NSHDSACASA-N 463.329 2.304 30 10 JEEE CC1(C)OB(c2ccccc2S(=O)(=O)N2CC(NC(=O)OCc3ccccc3)C2)OC1(C)C 2247880676 JNKMFPDFZURFDO-UHFFFAOYSA-N 472.372 2.285 30 10 JEEE CC(C)(C)OC(=O)NC/C=C/CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2247880704 KBRFCZYSYBKDNI-CMDGGOBGSA-N 458.411 2.407 30 10 JEEE CC(C)(C)OC(=O)N1CC(NS(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2247985260 DXIMKZZLSUZSDC-UHFFFAOYSA-N 458.411 2.086 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H](CO)NC(=O)c1ccc(Cl)cc1B1OC(C)(C)C(C)(C)O1 2255538050 FGQZXDWAFDOPRZ-AWEZNQCLSA-N 454.760 2.255 30 10 JEEE CC(C)(C)OC(=O)N[C@@]1(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)CCOC1 2255831918 DXELTNJQAQDQDO-OAQYLSRUSA-N 452.382 2.461 30 10 JEEE CC(C)(C)OC(=O)N[C@]1(C)CCC[C@@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2256673879 GYLKLRRAIUDYHX-MPBGBICISA-N 452.386 2.281 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)c2csc(B3OC(C)(C)C(C)(C)O3)c2)C[C@H]1CO 2267277486 PXAMNDDJXLZSFQ-HOTGVXAUSA-N 466.409 2.395 30 10 JEEE Cc1c(C(=O)N(C)C(C)(C)CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267525142 ADRJQXVJAKTEKR-UHFFFAOYSA-N 450.389 2.403 30 10 JEEE CN1CCN(C(=O)OC(C)(C)C)C[C@H]1CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2267527205 CXNQKCKTYNCLFH-MRXNPFEDSA-N 465.425 2.328 30 10 JEEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)[C@@H]1C[C@H](O)CN1C(=O)OC(C)(C)C 2268649080 AKFCXSUCWVYVMQ-HOCLYGCPSA-N 466.409 2.376 30 10 JEEE CC1(C)OB(c2ccc(C(=O)NC[C@@]3(O)CCN(Cc4ccccc4)C3)cc2F)OC1(C)C 2281789808 GCNGCLJYAYLMSP-VWLOTQADSA-N 454.351 2.492 30 10 JEEE Cn1ncc(C(=O)N2C[C@H]3CN(C(=O)OC(C)(C)C)CC[C@H]3C2)c1B1OC(C)(C)C(C)(C)O1 2281830345 KUHZXXJHNSWKJK-JKSUJKDBSA-N 460.384 2.048 30 10 JEEE CCc1nc(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 2282512124 GPYAKBVYAUURBZ-KBPBESRZSA-N 481.424 2.105 30 10 JEEE Cn1ncc(CNC(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)c1NC(=O)OC(C)(C)C 2282518668 GRQDIVLOBASEAK-UHFFFAOYSA-N 457.340 2.391 30 10 JEEE Cn1cc(C(=O)N2C[C@H]3CCC[C@@]3(NC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2282546147 YTSMPUQWYMBYPY-IQMFZBJNSA-N 460.384 2.239 30 10 JEEE C[C@H]1CN(C(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C[C@H]1CCNC(=O)OC(C)(C)C 2282551594 KRWMTINDUHXBFN-JKSUJKDBSA-N 462.400 2.342 30 10 JEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282608947 BJDDTZRLYPMZRR-JKSUJKDBSA-N 481.786 2.398 30 10 JEEE COc1ccc(S(=O)(=O)NC/C=C\CNC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2283727491 UHNURUHCHDRKCQ-KTKRTIGZSA-N 482.408 2.354 30 10 JEEE C[C@H](NC(=O)[C@H]1C[C@@H](O)CCN1C(=O)OC(C)(C)C)c1nscc1B1OC(C)(C)C(C)(C)O1 2283974652 VQWUNYKKOJRICW-OFQRWUPVSA-N 481.424 2.380 30 10 JEEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](CC(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)O1 2283976378 CHVTXHITKCQOHW-CABCVRRESA-N 481.424 2.473 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N1CCc2cc(B3OC(C)(C)C(C)(C)O3)ccc2C1 2284065651 JZOMATNERBRLGG-IBGZPJMESA-N 460.380 2.146 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1NC(=O)[C@H](CN(C)C)NC(=O)OC(C)(C)C 2284067276 IZUDSRLRHDTRNK-KRWDZBQOSA-N 463.384 2.388 30 10 JEEE CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)c1ccoc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2289796675 BKHMIJFRBZZXCU-HNNXBMFYSA-N 466.340 2.457 30 10 JEEE O=C1C(=O)N(CCCN2CCOCC2)[C@H](c2cccc(O)c2)C1=C(O)c1ccc2c(c1)OCCO2 2297743857 SHAJBJMKHOKTMN-HSZRJFAPSA-N 480.517 2.307 30 10 JEEE CN[C@@](C#N)(Cn1cnc(I)c1I)[C@@H]1CC1(F)F 2327274297 JHYKWQJBHQTSAM-RCOVLWMOSA-N 478.022 2.229 30 10 JEEE CCOc1ccc(C=CC(=O)[C@H]2C[C@@H](NC(=O)CN3C(=O)c4ccccc4C3=O)CCN2)cc1OC 2328071869 CRPRBIYMTGIVLO-GHTZIAJQSA-N 491.544 2.209 30 10 JEEE COCCc1nnc(SCC(N)=O)n1N=Cc1cc(Br)cc(Br)c1O 2331260041 HIWBRCBNFNKCQR-UHFFFAOYSA-N 493.181 2.157 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](CNC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)CO1 2337395324 XTOVXOGPJRJBCP-KGLIPLIRSA-N 467.397 2.102 30 10 JEEE COc1ccc(NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)O)cc1B1OC(C)(C)C(C)(C)O1 2339736743 DAPVYIMZCQVLFP-SUMWQHHRSA-N 450.341 2.207 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H](F)C[C@@H]2CNC(=O)OC(C)(C)C)n1C 2362489792 LQQGGIPTXIAEBG-HUUCEWRRSA-N 466.363 2.105 30 10 JEEE C=CCn1c(SCC(=O)N(C)CC(=O)N2CCOCC2)nc2sc3c(c2c1=O)CCCCC3 11021338 DBOMCYTZDQXZQO-UHFFFAOYSA-N 490.651 2.322 30 10 JEEE Cc1nn(C(C)C)c(C)c1/C=N/Nc1nnc(SCC(=O)Nc2cccc([N+](=O)[O-])c2)n1N 20805431 DSORJBZLRMNPOK-ZVBGSRNCSA-N 472.535 2.471 30 10 JEEE Cc1cc(N2/C(=N\C(=O)CCC(=O)O)S[C@@H]3CS(=O)(=O)C[C@@H]32)ccc1Br 229004751 SHVWPBFTCFGCCN-USHDUVECSA-N 461.359 2.224 30 10 JEEE CCOC(=O)[C@@H]1CCCN(c2nc(O)c3c(n2)NC(=O)[C@H](C#N)[C@H]3c2cc(OC)ccc2OC)C1 256032795 IFCKOGCGDFUMSG-MZMPZRCHSA-N 481.509 2.203 30 10 JEEE Nn1c(NN=Cc2ccc(Br)cc2)nnc1SCC(=O)Nc1nccs1 1084581087 AIWLZOIIVFOIKE-UHFFFAOYSA-N 453.351 2.388 30 10 JEEE CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)c1ccc(Oc2ccc(C#N)cc2C)cc1 1124439524 DILGDGDQCABODX-IBGZPJMESA-N 455.536 2.424 30 10 JEEE C[C@@H](c1ccccc1)N(C)C(=O)CN(C)C(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 1155204012 GKXDJUPDGHFQRA-SJORKVTESA-N 456.568 2.182 30 10 JEEE CNC(=O)c1cccc(NC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)c1Br 1217583968 BDAZMXGBMKCNHF-GFCCVEGCSA-N 458.320 2.213 30 10 JEEE C#CCn1ccc(CN(CC)C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)n1 1271205026 XXQZCYZDKOILAU-UHFFFAOYSA-N 454.596 2.454 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccc(OC)cc1)N1CCCC1 1286298151 GEGKGPRKVMOLMA-VCOUNFBDSA-N 471.627 2.484 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccc(C)n3)n2CCN2CCOC[C@@H]2C)c1 1286308660 BWBNWHAEWYBACJ-FQEVSTJZSA-N 473.581 2.425 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1286384390 QLSDEPRHAVNJRX-QPPBQGQZSA-N 472.611 2.302 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc3ccccc3o2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1286421631 QCCWZFYCIDMIFV-GOSISDBHSA-N 451.552 2.436 30 10 JEEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1CCOc1ccc2c(c1)OCO2 1286423069 QLCYZELMFLKHFX-DEOSSOPVSA-N 452.511 2.201 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](CC)N1CCc2ccccc2C1 1286430881 KFCLCRQJFZPTCD-ZEQRLZLVSA-N 479.650 2.480 30 10 JEEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@@H]2CCOC[C@@H]2OC)CC1 1286485101 UWTFUZQTLMIKDJ-GMAHTHKFSA-N 453.587 2.281 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@](C)(O)CCC)CC1 1286489031 CJFZBKQIWKEVMS-RUZDIDTESA-N 469.586 2.479 30 10 JEEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCN(c2nc(CC)ns2)CC1 1286508517 SZTHKJBTGIGIGL-UHFFFAOYSA-N 454.629 2.371 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)CC(=O)N1CCOCC1 1286546372 IVPFMHHKTWFTQM-NFBKMPQASA-N 496.612 2.423 30 10 JEEE C=C(C)COCCn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1286615237 JTMFPZSFQCNRMB-OAQYLSRUSA-N 460.623 2.247 30 10 JEEE C=CCN(CC=C)c1nnc(-c2cc(OC)ccc2Br)n1C[C@@]1(O)CCS(=O)(=O)C1 1286752901 MDXRBYGKMALPOO-FQEVSTJZSA-N 497.415 2.444 30 10 JEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](COCCOC)C1 1286776148 GDHDWZRKQSZVCD-MSOLQXFVSA-N 451.568 2.262 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](CN2CCC(C)CC2)C1 1286819017 WUXXIFKMWKPBHW-HXUWFJFHSA-N 475.663 2.228 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1286821163 CDBYQHPXYYQWEX-UHFFFAOYSA-N 497.581 2.100 30 10 JEEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1286824285 WIYJIAHRGGAGRM-LJQANCHMSA-N 471.631 2.393 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(C(=O)OCC)CC1 1286824489 ZFTNGTSENWGIRN-UHFFFAOYSA-N 491.614 2.353 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](OC(C)(C)C)C1 1286824621 FXJMTGWOBOJICM-FHWLQOOXSA-N 470.636 2.387 30 10 JEEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1286836627 PKSMUAXNDGNQML-LQBOVUBWSA-N 462.620 2.407 30 10 JEEE CC(C)(Cn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)(=O)CC1)NC(=O)OC(C)(C)C 1287087011 FHLTYXILPQCGMS-UHFFFAOYSA-N 474.587 2.355 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2C[C@H]2CCOC[C@@H]2OC)c1 1300332700 LGWDCIOYYYSBMV-KNQAVFIVSA-N 462.554 2.391 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCO[C@@H]1CCCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1300496624 SNBIJQBGCNFDCE-UAFMIMERSA-N 450.605 2.004 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@H](OC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1300504019 IFIMYXYRPKTOHQ-QUCCMNQESA-N 464.563 2.294 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCc1noc(CC)n1 1300509935 ZJJNGSAESJVKLJ-UHFFFAOYSA-N 451.918 2.122 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN(C(=O)OC(C)(C)C)C1CC1 1300521625 ZRWRRTGUOUIKTL-UHFFFAOYSA-N 487.568 2.393 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCNC(=O)c1ccco1 1300578879 JIIYXBHECDWQSG-UHFFFAOYSA-N 483.532 2.161 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccc(OC)cc3)n2Cc2c(C)nn(C)c2C)CC1 1300729096 NBJDFAZUXHVPLX-UHFFFAOYSA-N 489.624 2.436 30 10 JEEE C=C(Br)Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1300824749 VXVRDZYCRMCRAZ-SFHVURJKSA-N 474.425 2.120 30 10 JEEE C=C(Cn1c(Cc2ccncc2)nnc1N1CCC(NS(C)(=O)=O)CC1)c1ccccc1 1301008852 BWRLRFUELMAWMS-UHFFFAOYSA-N 452.584 2.495 30 10 JEEE C=CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCN1CCN(C(C)=O)CC1)C1CC1 1301315794 AOUDRXFGSFBWLW-UHFFFAOYSA-N 462.396 2.355 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1NC(=O)CC1(C)C 1301357089 IYBLVNHBZDJUEI-ZBFHGGJFSA-N 466.633 2.057 30 10 JEEE C=CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1301620689 ITSXZSJRBIJBEK-KRWDZBQOSA-N 476.628 2.118 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN1Cc1ccccc1 1301967725 FXWHSANFVSJIAG-GIVPXCGWSA-N 456.616 2.441 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC[C@@H]1COCCO1 1358885455 KINFRXFOWFRJSX-ZWKOTPCHSA-N 450.543 2.499 30 10 JEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(=O)c2cccc(F)c2)CC1 1358913129 GLSPUOSPMUCCHF-HXUWFJFHSA-N 487.601 2.475 30 10 JEEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCC[C@H]1CCCN1C(=O)OC(C)(C)C 1358939413 WLYMGWCRIQACDJ-IAGOWNOFSA-N 468.624 2.137 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@H]1CCCCN1CC)[C@H]1CCS(=O)(=O)C1 1358964607 CBVDOULULDNACS-UXHICEINSA-N 476.672 2.135 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@H]1CCCO1 1359023476 LQGSKWKSTXRTIW-GOSISDBHSA-N 450.543 2.330 30 10 JEEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1CCc1cnc2c(Cl)cnn2c1 1359026991 RRZFMZOMOPAIAO-UHFFFAOYSA-N 467.965 2.165 30 10 JEEE C=C(C)Cn1c(-c2cccc(C)n2)nnc1N1C[C@@H]2[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1359120522 FIADFOLQWWWXJX-NZSAHSFTSA-N 488.614 2.351 30 10 JEEE C=C(Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1)c1ccccc1 1359139519 WBHIXQVKTWIHAH-PKOBYXMFSA-N 459.572 2.171 30 10 JEEE CC(C)OCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1360396988 CTBVFHSUXARFPW-FQEVSTJZSA-N 458.588 2.246 30 10 JEEE CCCN1CC[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(S(C)(=O)=O)CC2)C1 1500954055 CBUHTNJGWODHAJ-HXUWFJFHSA-N 486.642 2.474 30 10 JEEE COC[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1504569233 AWJCUQZQMPGMAQ-SIKLNZKXSA-N 465.558 2.422 30 10 JEEE C#CCCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(C)C(=O)[C@H]1C 1507555588 TXLGVZOYLZVEMN-QGZVFWFLSA-N 457.604 2.017 30 10 JEEE C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@@H]1CCCO[C@H]1C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1507625460 JLAQWLRHZHNXIM-UWHLTILDSA-N 496.674 2.470 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccn2C)n1C[C@@H]1C[C@@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1507646794 SYTAUQSGCUDRKN-SVFBPWRDSA-N 464.570 2.381 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(OC)nc1 1507652870 KBRGYNFEOWMANJ-IBGZPJMESA-N 466.542 2.111 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccc(NC(=O)C3CCCC3)c2)CC1 1507716806 UUCBHGDTICYYCC-UHFFFAOYSA-N 477.613 2.349 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@H]2NC(=O)CC2(C)C)CC1 1507733822 BSDPDBNKLHAICU-OAQYLSRUSA-N 462.598 2.388 30 10 JEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 1507741292 PAQRRIZZAZQZPW-MRXNPFEDSA-N 463.629 2.384 30 10 JEEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1507943044 WAZYMGLGMRFQMH-LJQANCHMSA-N 486.598 2.081 30 10 JEEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(O)CCN(C(C)C)CC1 1507973238 WRWPJEOCNQPCLK-UHFFFAOYSA-N 476.647 2.053 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 1508073339 VQXMMBXMOOPOKI-HNNXBMFYSA-N 475.619 2.050 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN2CCOC[C@H]2C1 1508075014 UFOZDGYOBQAFHL-OAHLLOKOSA-N 451.358 2.075 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](c2ccccc2Br)C1 1508090918 KMILNBUNHJVIQT-QAPCUYQASA-N 476.375 2.425 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(CC(C)C)n2C[C@H]2CCC[C@H]2N2CCCS2(=O)=O)C1 1508121831 AOLNGCFXSGJCQY-VAMGGRTRSA-N 451.637 2.462 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1508136424 GHDXXNZZXJPJRK-MBSDFSHPSA-N 476.599 2.329 30 10 JEEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)c2cc[nH]n2)CCN1CC(F)(F)F 1512403957 GWKFAWBLPHOCKF-HNNXBMFYSA-N 487.490 2.043 30 10 JEEE CNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2csc([C@H](C)OC)n2)CC1 1517606825 ADTSVPNYDKMLOY-HNNXBMFYSA-N 466.571 2.490 30 10 JEEE C#C[C@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1Cc1ccccc1S(=O)(=O)N(C)C 1539023636 VPGDKWBCEUIUMV-SFHVURJKSA-N 477.594 2.273 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H](c1ccc(F)cc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1539216254 PUTYNASEWUWIQX-PZJWPPBQSA-N 470.574 2.342 30 10 JEEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2C[C@]2(N(C)C)CCSC2)CC1 1539460190 ZOOVALFAQSNQLN-XMMPIXPASA-N 454.644 2.358 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCC(F)(F)F)CC1CC1 1539705439 TVDUIKUFQGNLAO-OAHLLOKOSA-N 451.515 2.356 30 10 JEEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCC(F)(F)c1ccc(Br)cc1 1539898050 CCAAXAXAHMHYBT-UHFFFAOYSA-N 458.284 2.396 30 10 JEEE C=CCCOCCn1c(Cc2ccccc2OC)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1540037769 RNAHKGXWCLQZAH-HSZRJFAPSA-N 460.600 2.485 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1540862194 VBEJIRAMLROMED-CLOONOSVSA-N 482.585 2.224 30 10 JEEE C=CCNC(=O)Cn1c(-c2sc3ccccc3c2Cl)nnc1N1CCS(=O)(=O)CC1 1540864404 YQAHAQUUBRZAGJ-UHFFFAOYSA-N 465.988 2.350 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(OC(C)C)CC1 1540871134 FFGAJAHKFJSGPR-IBGZPJMESA-N 492.621 2.283 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(c2cccc(F)c2F)CC1 1540902119 AYZBRZQSMIBXID-KRWDZBQOSA-N 481.569 2.378 30 10 JEEE CC(=O)NC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)N2CCCCC2)CCO1 1541082371 FMQIYBYCOVQUEO-QHCPKHFHSA-N 495.628 2.335 30 10 JEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1ccc(C(=O)N2CCCCC2)cc1 1542344934 HXBPSSZRUBUTPJ-QGZVFWFLSA-N 454.552 2.168 30 10 JEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCc3nc4ccc(F)cc4[nH]3)CC2)cc1 1544680374 AMWYCXDSZMRCCE-UHFFFAOYSA-N 455.515 2.333 30 10 JEEE CCCn1nc(-c2nnc(N(C)[C@H](C)CC#N)n2CC(=O)NCC(F)(F)F)c2ccccc2c1=O 1547212505 BKQAHCDCWKBURU-CQSZACIVSA-N 490.490 2.482 30 10 JEEE CNC(=O)[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CCN1C(=O)c1ccc2c(c1)OCO2 1548369226 NZDXOFYVYZROBO-KRWDZBQOSA-N 460.412 2.383 30 10 JEEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 1554504359 BVSIHQQDVVLFMA-FQEVSTJZSA-N 468.587 2.021 30 10 JEEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(Br)c(C(=O)OC)c2)cc1 1556233239 IWRXKAVGRHNTAS-UHFFFAOYSA-N 451.298 2.400 30 10 JEEE C#C[C@@H](NC(=O)NCC1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1)C(C)(C)C 1564046988 RKXGDQHZXIPUBE-HXUWFJFHSA-N 451.589 2.452 30 10 JEEE CCN(CC)S(=O)(=O)c1ccc(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 1568504488 ALIDBWSWPZSQTM-OAQYLSRUSA-N 454.552 2.120 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1oc(CCC)nc1C)[C@@H]1CCS(=O)(=O)C1 1588069078 GXXZBZVXVCMZIV-LJQANCHMSA-N 485.614 2.064 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CC(C)(C)c2cccc(F)c2)CC1 1588884665 JBRBXXBCOPEOKY-UHFFFAOYSA-N 468.577 2.499 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(CC)cc1 1589216701 VLQAYWNVAMCIOH-ZJSXRUAMSA-N 471.627 2.408 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccnc(C(F)(F)F)c1 1589664330 YAPKJANPGYWXHY-MRXNPFEDSA-N 488.536 2.476 30 10 JEEE C=C(C)Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1589701340 ZTMXWZKXPBJEOD-GHTZIAJQSA-N 459.639 2.152 30 10 JEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(OC[C@H]2CCCCO2)CC1 1594732519 FQQFXOITBCWSEK-RTWAWAEBSA-N 497.662 2.132 30 10 JEEE Cc1ccc(NC(=O)c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CN(CC(C)C)CCO2)cc1C 1612108359 HGOLNKKHKLMHSU-FCHUYYIVSA-N 481.601 2.233 30 10 JEEE CCCC(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCS(C)(=O)=O)C1 1614316684 DINKWGDOKKEZRS-IBGZPJMESA-N 472.615 2.384 30 10 JEEE N#Cc1cccc(NC(=O)N[C@@H]2CO[C@@H]3[C@@H]2OC[C@H]3n2nnnc2Oc2ccc(-n3ccnc3)cc2)c1 1616131178 SUSMVMGQHSSYJK-YSFYHYPLSA-N 499.491 2.052 30 10 JEEE C=CCn1c(S)nc2cc(C(=O)N3CC[S@](=O)C[C@H]3c3cnn(CC)c3)ccc2c1=O 1618580525 QXXWODDNVVGZIX-DRKIFQHWSA-N 457.581 2.033 30 10 JEEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2C[C@H](C)O[C@@H](C)C2)CC1=O 1619938558 AMPRPSPJGKAOCZ-ROUUACIJSA-N 452.559 2.315 30 10 JEEE CN(C)S(=O)(=O)c1ccccc1CNS(=O)(=O)c1cccc(Br)c1C#N 1660567695 CCDUUGSBCWNNEW-UHFFFAOYSA-N 458.359 2.050 30 10 JEEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)n1 1663145164 ZEGLJWGCCDPMQD-UHFFFAOYSA-N 457.306 2.024 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NS(=O)(=O)c2cc(Br)ccc2C#N)C1 1668498171 AMSIWPWBAGIAJI-GXTWGEPZSA-N 455.334 2.358 30 10 JEEE C=CCN(C(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1)[C@@H]1CCS(=O)(=O)C1 1669568826 LJAOBGMWYPISKF-CQSZACIVSA-N 456.571 2.151 30 10 JEEE Cn1cc([C@@H]2[C@@H](CNC(=O)N3CC[C@@H](Oc4ccc(C#N)cn4)C3)CC(=O)N2C(C)(C)C)cn1 1674382952 DCYJFWPNSSBWRM-JUXOCIIHSA-N 465.558 2.238 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C)ccc1OC(F)F 1689853809 YTPFLJRDUOXDAO-CRAIPNDOSA-N 483.541 2.027 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OCC)CCOC3)n2CCN2CC=CCC2)c1 1689868694 ORULOAYNWCIJIH-SANMLTNESA-N 478.597 2.248 30 10 JEEE C#CCN(c1nnc(C(C)C)n1C[C@@H](CC)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1689979465 BQUUZQGBHNFZQY-IAGOWNOFSA-N 453.609 2.332 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@]1(O)CCO[C@H]1C)[C@H]1CCS(=O)(=O)C1 1689983580 DCAOOVMSYGDXLO-WDUKFBBWSA-N 499.420 2.419 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCC[C@H](O)C2)CC1 1690152793 XUAMYZOMVWWXDG-IRLDBZIGSA-N 476.581 2.246 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)nnc1C(C)(C)C 1690252817 JBHJDKWEZDKUGO-RTWAWAEBSA-N 486.661 2.497 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(NC(C)=O)cc1 1690265978 WWSVOHHYCPOONE-NRFANRHFSA-N 490.630 2.215 30 10 JEEE C=CC1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@H](COC)OC)CC1 1690402456 CVIPSZSITQJQHT-IBGZPJMESA-N 463.604 2.259 30 10 JEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](OCCOCC)C1 1690644291 BZXIQBISSJWIAI-ROUUACIJSA-N 451.568 2.404 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[C@@](C)(O)c2ccccc2)C1 1690700328 QRWGEKOCJWQSIM-JXHRLWIKSA-N 460.600 2.259 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1690725529 TUPHPXJHYHMMOD-BSRJHKFKSA-N 478.590 2.382 30 10 JEEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCCCC2)CC1 1690733530 HEKXNNKVEDWASO-QGZVFWFLSA-N 456.682 2.262 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@H]1CN(Cc2ccccc2)CCO1 1692518744 GVFCBBGCPIGSPH-JOCHJYFZSA-N 465.602 2.447 30 10 JEEE COC[C@@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1)OC 1697766486 AEYFKUGAYQLWNM-FGZHOGPDSA-N 465.558 2.251 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1c(C)nn(C)c1C 1705495142 LGHPAXRZPOPIFI-HNAYVOBHSA-N 457.579 2.443 30 10 JEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1Cc1ccc(OC)nc1)[C@@H]1CCS(=O)(=O)C1 1705570091 MNCOLKYWGMUHBY-OAQYLSRUSA-N 495.605 2.151 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(OCCC)c(OC)c2)n1C[C@@H]1CCS(=O)(=O)C1 1705578487 UTGCHUIBYQWSTE-SFHVURJKSA-N 456.568 2.250 30 10 JEEE C#CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCN1CCC[C@H]1C 1705622334 FRBRPILGSZVWKI-GOSISDBHSA-N 473.647 2.117 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(COCC(F)(F)F)cc2)CC1 1705638366 IHMHGAHTFKRXHD-IBGZPJMESA-N 476.503 2.112 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2CCCn2ccnc2C)CC1 1705650612 VOTCLCWIGVHWIX-UHFFFAOYSA-N 475.597 2.439 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@@](C)(O)c2cc(C)oc2C)CC1 1705650714 YCHJRIISNJAAOR-AREMUKBSSA-N 476.581 2.347 30 10 JEEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCCN(C(C)C)CC1 1705655369 LRSIGCGDIAYWSH-UHFFFAOYSA-N 490.699 2.482 30 10 JEEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1705685900 LDTADOABRDCDSZ-JKSUJKDBSA-N 477.425 2.111 30 10 JEEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 1705736675 ZJGISRHEVGVTRY-UHFFFAOYSA-N 483.598 2.229 30 10 JEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(-n3ccnc3)c(F)c2)CC1 1705763581 YMODHSGTAYSOCO-MRXNPFEDSA-N 459.551 2.418 30 10 JEEE C=C1CCN(c2nnc(-c3cc(Br)cn3C)n2CCS(=O)(=O)N(C)C)CC1 1705764481 ZWGVUXWOMIBOMP-UHFFFAOYSA-N 457.398 2.094 30 10 JEEE C=CCCOCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1705827365 CDVVCKXKIMKIPJ-UHFFFAOYSA-N 484.557 2.076 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1705902457 FJSQQDQTQOQUJY-RTBURBONSA-N 498.632 2.422 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CCN1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 1722371198 UTSDVFMEBFVPKM-OAQYLSRUSA-N 469.611 2.054 30 10 JEEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1722395240 VSTCAGJRDKMDPA-NQIIRXRSSA-N 453.509 2.277 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCC(=O)NC)CC1 1722444735 NHDLAEXYENYTPA-INIZCTEOSA-N 472.977 2.173 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ccc(C)cc2)C(=O)C1 1722453527 WHCSOOLRUNICOJ-UHFFFAOYSA-N 475.578 2.453 30 10 JEEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1722454714 HFCKLXYMRWEFOG-UHFFFAOYSA-N 467.643 2.277 30 10 JEEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1722531365 QTNGIDUOIBOGJO-OAQYLSRUSA-N 486.598 2.253 30 10 JEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCCN(c2nc(CC)ns2)CC1 1722535249 CNNJXVQMIXGMGF-UHFFFAOYSA-N 474.635 2.124 30 10 JEEE C=C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2ccc(C(=O)NCC(N)=O)cc2)CC1 1722560834 KCKOBLLOERZCOW-UHFFFAOYSA-N 498.385 2.456 30 10 JEEE C=CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@]2(CCOC2)C1)c1ccccc1 1722595706 YLSYMDTYSZFLRS-XQFWAAQXSA-N 475.615 2.244 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1722706476 UAMSNWPRNXAXKY-IFMALSPDSA-N 468.602 2.015 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1722751287 RYFARHZHAOBCKI-JPYJTQIMSA-N 460.600 2.493 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCc1cnn(C)c1 1723770614 AQJGPNRBANCRNJ-KRWDZBQOSA-N 470.603 2.300 30 10 JEEE CN(CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCO[C@H](C#N)C1)C(=O)OC(C)(C)C 1729533270 BVYUTNBIIXGZSF-APWZRJJASA-N 470.530 2.386 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2C[C@@H]2CC[C@@]3(CCOC3)O2)c1 1740565132 KECHGZXCLMFVTH-RDPSFJRHSA-N 453.543 2.209 30 10 JEEE C#CCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CC[C@@H](C(=O)OC)C1 1740594538 POEXODKNAHEVGH-OAQYLSRUSA-N 450.587 2.056 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc(Cl)nc3)n2Cc2cnn(C)c2)n1 1740687648 IEFHZRSXIUSUHG-UHFFFAOYSA-N 465.949 2.258 30 10 JEEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(=O)NCC)CC1 1740713211 ILFOURPTHMWAPH-UHFFFAOYSA-N 458.588 2.180 30 10 JEEE C#CCSCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCN(C(C)=O)CC1 1740715288 HRVPSMVTXXHJQT-UHFFFAOYSA-N 479.610 2.271 30 10 JEEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@]2(CC=CCC2)C1 1740716952 FILBCKZCXKPPFL-SIKLNZKXSA-N 479.672 2.304 30 10 JEEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1740746693 OHMNSFHAXGUTMT-AWEZNQCLSA-N 489.465 2.308 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1C(C)C 1740761034 LVRDOTVIKVIJGT-WTGUMLROSA-N 467.636 2.217 30 10 JEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(CN3CCCC3=O)cc2)CC1 1740832319 BZEANMKJJMVICG-GOSISDBHSA-N 486.642 2.461 30 10 JEEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1740843047 WHKZNOFGDNGWEW-NRFANRHFSA-N 479.629 2.465 30 10 JEEE C=CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)OC[C@@]2(C)C1)c1ccccc1 1740854721 ROZKBFVVWVTDBR-GEQKSPFYSA-N 488.614 2.279 30 10 JEEE C=CCCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1740868605 OEYMAINIWKKNCI-RTBURBONSA-N 452.559 2.148 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCS[C@H](CC)C1 1740959769 DTPXFWIUMZEPRY-IAGOWNOFSA-N 480.635 2.221 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1740964201 KRNVGKHZEHOOGM-BVZFJXPGSA-N 493.568 2.134 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCc2ccc(Cl)nc2C1 1740993083 SMIXECOXXUCMQL-UHFFFAOYSA-N 458.975 2.476 30 10 JEEE CC(C)OCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1741760721 DAAHFHQNQLLWPF-JOCHJYFZSA-N 486.642 2.189 30 10 JEEE Cc1cc(C)cc(OCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)c1 1742114648 GPLXEFVURZLQCU-JXFKEZNVSA-N 450.540 2.026 30 10 JEEE CCC[C@H](C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1745196613 GWSFCGFKKKICHD-SIKLNZKXSA-N 493.612 2.197 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1cccnc1-n1cccn1 1748649176 KTBZVYUWDADMTA-GOSISDBHSA-N 490.593 2.282 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1Cc1c(C)coc1C)[C@@H]1CCS(=O)(=O)C1 1748802752 SFHZUCQAGHTMOD-GOSISDBHSA-N 461.588 2.081 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1cccc(C(C)(C)O)c1)[C@H]1CCS(=O)(=O)C1 1748811636 JRSGBUQZWIJBDC-NRFANRHFSA-N 465.579 2.243 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCO[C@@H](C)C1 1748965664 UQRBNYCWRWFUGQ-UFYCRDLUSA-N 477.606 2.488 30 10 JEEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1ccc(C(=O)N2CCCCC2)cc1 1748969740 YRZQFWAHRBHBHB-UHFFFAOYSA-N 478.597 2.161 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC2(C)COC2)CC1 1748990007 FLWNKLQMKIZJSW-IBGZPJMESA-N 458.607 2.184 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H](C)c2c(C)noc2C)CC1 1749003687 RUINIAJVCNBUFS-CRICUBBOSA-N 484.601 2.305 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)c1cc(OC)c(OC)c(OC)c1 1749039261 RQLZLSNCHWJLFM-OAHLLOKOSA-N 480.612 2.340 30 10 JEEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1749677164 QCJSWZCNABGJHA-HXUWFJFHSA-N 485.596 2.132 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@](C)(C(N)=O)C1 1749725077 OBVROOXVRLVSEE-VFNWGFHPSA-N 482.006 2.374 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1749732541 YNCUZBCKVLKGED-LJQANCHMSA-N 492.690 2.106 30 10 JEEE C[C@H](Cn1c(CC(C)(C)C)nnc1N1CCN(c2cc(C#N)ccn2)CC1)N1CCOCC1 1751145883 CADANVRRJBJUOJ-LJQANCHMSA-N 452.607 2.181 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCS(=O)(=O)NC(C)C 1760111971 XWZZUMJAQWDVOH-KRWDZBQOSA-N 485.614 2.022 30 10 JEEE C#CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1760135323 RGPCVNVINNTOPA-ZWKOTPCHSA-N 460.604 2.282 30 10 JEEE C#CCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1760157923 HJCORACSPOLAAA-UHFFFAOYSA-N 478.597 2.158 30 10 JEEE C#CCN(C)c1nnc(Cc2cn3ccccc3n2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1760177643 VHWBHCQRKCEREL-SFHVURJKSA-N 461.492 2.239 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@@H]1CCCOC1)[C@@H]1CCS(=O)(=O)C1 1760185916 HABFFGAYCCVJIA-DLBZAZTESA-N 464.538 2.200 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@H](CC)Oc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1760189153 OEXGOVUOGFIMEV-UXHICEINSA-N 486.573 2.302 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCS(=O)(=O)CC=C)CC1 1760256741 JTFCCKKOQBNCHZ-SFHVURJKSA-N 478.018 2.428 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCc2cn[nH]c2)CC1 1760265637 GJNVTJMLRNQCDR-KRWDZBQOSA-N 465.533 2.489 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(C)(C)c2ccc(OC)cc2)CC1 1760268829 QEHOESOIWIEMPT-OAQYLSRUSA-N 478.597 2.181 30 10 JEEE C#CCSCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CC[C@](C)(C(=O)NC)C1 1760281234 ZVGPUJZTZXXIID-VWLOTQADSA-N 493.637 2.394 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)Oc1cccc(C)c1 1760295517 UDAPIPNMEAPGRF-XZDHIHRUSA-N 487.626 2.379 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccc(Cl)cc2C1 1760346117 IXVVCDOWPAYMSC-SFHVURJKSA-N 451.980 2.403 30 10 JEEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](c2noc(C3CC3)n2)C1 1760366161 RHBLEEOCQMBJTF-GXTWGEPZSA-N 455.972 2.285 30 10 JEEE C=CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCOCCS(C)(=O)=O 1760462976 OMAODUMFDOWGRL-KRWDZBQOSA-N 471.624 2.076 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1c(C)nn(C)c1C 1760478413 GVWUURZGLMMJGB-KRWDZBQOSA-N 482.614 2.351 30 10 JEEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1760523136 NDNQZSAHMFTVHS-ROUUACIJSA-N 479.585 2.096 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1760526357 LTNFWZVQUZTCER-JTHBVZDNSA-N 482.629 2.323 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)cc1 1760529960 MXFOTOVRCZXSID-FCEWJHQRSA-N 461.588 2.100 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CC(=O)Nc2c(C)cccc2C)C1 1760550433 YGPWXSCRDRWJEH-IBGZPJMESA-N 452.559 2.437 30 10 JEEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1c(F)cccc1F)N(C)C 1761362747 HTKJROHMYFTTRE-IIDMSEBBSA-N 466.558 2.500 30 10 JEEE CCCNC(=O)c1cccc(Cn2c(Cn3nc(C)cc3C)nnc2N2CCO[C@H](C#N)C2)c1 1764501996 HIZCLTTVFOGRMQ-OAQYLSRUSA-N 462.558 2.057 30 10 JEEE N#Cc1cccc(C(=O)Nc2ccc(NS(=O)(=O)CCN3C(=O)c4ccccc4C3=O)cn2)c1 1858285585 WWZGLMNNRLVWAK-UHFFFAOYSA-N 475.486 2.243 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCO)[C@H]2c2cc(OC)c(O)c(OC)c2)cc1OC 1862577342 PCTNKCWEHGORDA-FQEVSTJZSA-N 473.478 2.387 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)N(C)C[C@@H]2CCCO2)cn1Cc1ccccn1 1870550671 UDQXHCUBJGELAF-QHCPKHFHSA-N 466.582 2.482 30 10 JEEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)NCCN1C(=O)CSC1=O)n2CCCOC 1873588192 OQNNGYGDWLZKPB-UHFFFAOYSA-N 472.571 2.071 30 10 JEEE COc1ccc(Br)cc1C(=O)N1CCC(OCC#CCN2CCN(C)CC2)CC1 1889437225 KUHXVCLMFJAEDP-UHFFFAOYSA-N 464.404 2.330 30 10 JEEE CC(C)(C)OC(=O)NC1(CC(=O)N[C@@H](CS)C(=O)O)CCN(Cc2ccccc2)CC1 2009963275 RFOBZSPJVSSVHK-KRWDZBQOSA-N 451.589 2.435 30 10 JEEE CC(C)(C)OC(=O)N1CCSC[C@@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2124533319 OITHYLOWVGUJPB-AWEZNQCLSA-N 464.397 2.314 30 10 JEEE N#C[C@H]1CN(S(=O)(=O)c2ccc(Br)c(CO)c2)CCN1Cc1ccccc1 2157780693 QYDQCECGYQQZRQ-KRWDZBQOSA-N 450.358 2.340 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](C(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)OCC12CC2 2206629675 UCTVTOJJGNPGEY-MRXNPFEDSA-N 459.352 2.488 30 10 JEEE C#CCC[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 2230862888 QVHFDHUWDUOOKQ-HVMFNXBNSA-N 465.591 2.273 30 10 JEEE C=CC1(NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](O)C(F)(F)F)CN(C(=O)OC(C)(C)C)C1 2246890641 VBTULNGTXQBDCD-NEPJUHHUSA-N 453.458 2.095 30 10 JEEE CN(C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1)[C@H]1CC[C@@H]1NC(=O)OCc1ccccc1 2255657352 NYXSXZMKKANUJO-OALUTQOASA-N 468.363 2.249 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1NS(=O)(=O)Cc1ccccc1B1OC(C)(C)C(C)(C)O1 2255793939 FBUUZBVIECIZOA-SJORKVTESA-N 452.382 2.071 30 10 JEEE CC1(C)OB(c2csnc2C(=O)NC[C@H]2CN(C(=O)OCc3ccccc3)CCO2)OC1(C)C 2255811392 RHLVMYRJFJHTIE-KRWDZBQOSA-N 487.387 2.210 30 10 JEEE CC(C)(C)OC(=O)N1CCCN([S@@](C)(=O)=NC(=O)C#CB2OC(C)(C)C(C)(C)O2)CC1 2255858980 VWQPLNHHWUZNFE-HKBQPEDESA-N 455.386 2.103 30 10 JEEE C=C(CS(=O)(=O)NC[C@]1(N(C)Cc2ccccc2)CCOC1)B1OC(C)(C)C(C)(C)O1 2255955204 KCTSSCVLICJNKQ-JOCHJYFZSA-N 450.410 2.385 30 10 JEEE C[C@@H]1CC[C@@H](NC(=O)C(F)(F)F)CN1S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2267464204 GLKCFMNNFWTBLK-VXGBXAGGSA-N 482.355 2.267 30 10 JEEE CC(C)(C)OC(=O)NC1(CNC(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)CCOCC1 2267495746 PPHCZZCVPKLLKU-UHFFFAOYSA-N 450.341 2.383 30 10 JEEE CS[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2267598007 YQYRVIULENDFRO-DLBZAZTESA-N 463.409 2.462 30 10 JEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2267706514 AEBKCFDOMPAVGS-XOIINTDNSA-N 484.449 2.499 30 10 JEEE CON(CCNS(=O)(=O)c1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1)C(=O)OC(C)(C)C 2267709981 LGNLTDFRDGFFKQ-UHFFFAOYSA-N 474.360 2.202 30 10 JEEE Cc1nc(NC(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2F)ncc1B1OC(C)(C)C(C)(C)O1 2268677061 PVVAWXRYFYGQEZ-DZGCQCFKSA-N 450.320 2.228 30 10 JEEE Cn1ncc(C(=O)N[C@H]2[C@@H]3[C@@H]2CCCCN3C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2281825608 ARSXIWBESDHXHS-OIISXLGYSA-N 460.384 2.237 30 10 JEEE Cc1ccnc(C(=O)N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2281998416 OMBBGWOVBUGBTJ-INIZCTEOSA-N 461.368 2.055 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@](F)(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)C1 2282010957 BIDIRPFMARQPJD-NRFANRHFSA-N 485.387 2.148 30 10 JEEE C[C@@H]1OC2(CNC(=O)OC(C)(C)C)CC1(NC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1)C2 2282026617 FKPBZUMPPTUOLZ-MFBUALDNSA-N 479.408 2.387 30 10 JEEE Cn1nc(C(=O)N2C[C@@H]3C[C@H](C2)C3NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2282036320 HPGHGXSVHZJGLX-NNQSOWQGSA-N 480.802 2.358 30 10 JEEE C[C@H]1CN(C(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C[C@@H](C)[C@@H]1NC(=O)OC(C)(C)C 2282037481 WCVPZPKHDGPPSU-QLPKVWCKSA-N 462.400 2.341 30 10 JEEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)C1 2282052135 LNAJUTNKGXPVDS-HZPDHXFCSA-N 462.400 2.485 30 10 JEEE Cn1cc(C(=O)N2C[C@@H]3CC[C@]3(CNC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2282059634 KZEIFRKWCFQPLL-WNSKOXEYSA-N 460.384 2.096 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 2282125941 DJCNYCVHAWZPGZ-QGZVFWFLSA-N 463.384 2.173 30 10 JEEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)C2 2282172740 ACXHQGYQBLWCSU-HOTGVXAUSA-N 458.368 2.436 30 10 JEEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@@H]3CCCN(C(=O)C(F)(F)F)C3)cc2)OC1(C)C 2282345331 GMXPNNWMDOHMKV-AWEZNQCLSA-N 476.326 2.065 30 10 JEEE Cc1c(C(=O)NCCC2(C)CN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282598462 LMHGRKGDSUEXAQ-UHFFFAOYSA-N 462.400 2.405 30 10 JEEE Cn1nc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]3CC[C@@H]23)cc1B1OC(C)(C)C(C)(C)O1 2282618775 OJRJFULWPZBLGB-ZMSDIMECSA-N 460.384 2.237 30 10 JEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCCC[C@@H]2CCNC(=O)OC(C)(C)C)n1 2282618812 OUMBGEBIPUQHHO-OAHLLOKOSA-N 463.388 2.024 30 10 JEEE CC1(C)OB(c2c[nH]c(C(=O)N3CCO[C@@H]4CCN(Cc5ccccc5)C[C@@H]43)c2)OC1(C)C 2282645502 JIZYRULWMKCCSY-FCHUYYIVSA-N 451.376 2.429 30 10 JEEE CC(C)(C)OC(=O)NC[C@]12CO[C@](C(=O)NCc3ncc(B4OC(C)(C)C(C)(C)O4)s3)(C1)C2 2284143242 OOGMDPLGWHYYRE-SZPZYZBQSA-N 479.408 2.132 30 10 JEEE CC(C)(C)OC(=O)NCC(C)(C)OCCNC(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2295772829 DUBOOYPSZISRBC-UHFFFAOYSA-N 463.384 2.431 30 10 JEEE CC(C)(C)OC(=O)NC1([C@H](N)C#CC2(S(C)(=O)=O)CC2)CCN(Cc2ccccc2)CC1 2319389646 AFFWJZYTQWOHIB-HXUWFJFHSA-N 461.628 2.454 30 10 JEEE CCOc1ccccc1OCc1nnc(SCC(N)=O)n1N=Cc1ccc(OC)c(O)c1 2326821268 SWPBUKSNKXKZCE-UHFFFAOYSA-N 457.512 2.430 30 10 JEEE CC(C)(C)OC(=O)N1CC2(C[C@@H](O)CN2c2ccc(B3OC(C)(C)C(C)(C)O3)cc2C#N)C1 2364745972 RGWFFXHDYPEFSA-GOSISDBHSA-N 455.364 2.418 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@H]1CNc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2365059670 UUYBAMTYIVQKDW-ZIFCJYIRSA-N 461.368 2.479 30 10 JEEE C=CCNC(=O)[C@H](NC(=O)c1ccc2c(c1)OCO2)C1CCN(C(=O)c2cccs2)CC1 36211641 IJRLIWIDZOODII-HXUWFJFHSA-N 455.536 2.430 30 10 JEEE C=CCN1C(=O)C(=c2sc3n(c2=O)[C@@H](c2ccccc2)C(C(=O)OC)=C(C)N=3)c2ccccc21 254490872 HQKDEWMNPISEGR-NRFANRHFSA-N 471.538 2.311 30 10 JEEE C=CCN(CC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)Cc1cccc([N+](=O)[O-])c1 553935943 QSJBTWHZGLOOSZ-UHFFFAOYSA-N 474.539 2.242 30 10 JEEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN(Cc3ccc(OC)c(OC)c3OC)CC2)c1 614603838 QPMJBDPIHHROIM-UHFFFAOYSA-N 489.594 2.135 30 10 JEEE N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccccc1F 729671806 PIMVZICYIZJOMF-UHFFFAOYSA-N 473.533 2.248 30 10 JEEE COc1ccccc1C=NNc1nnc(SCC(=O)Nc2ccc(OC)c(OC)c2)n1N 1084536066 FMHQIQYDMFXSCL-UHFFFAOYSA-N 457.516 2.195 30 10 JEEE C=CCNS(=O)(=O)c1cccc(C(=O)Nc2cccc(C(=O)N3CCC[C@@H](CO)C3)c2)c1 1153269891 BVQUGEXSXQNBAX-QGZVFWFLSA-N 457.552 2.248 30 10 JEEE C#C[C@H]1CCCN(C(=O)c2cc(S(=O)(=O)NC[C@@H]3CCCO3)ccc2Br)C1 1163599532 UMBWQJZQSVIAMP-GJZGRUSLSA-N 455.374 2.392 30 10 JEEE C#CCN1CCC[C@@H](NC(=O)c2cccnc2SCC(=O)Nc2ccc3c(c2)OCO3)C1 1177755067 UXOKXBOXWDWDRG-QGZVFWFLSA-N 452.536 2.369 30 10 JEEE C#CC[C@H]1CCN(CC(=O)NCCN2C(=O)S/C(=C/c3ccc(OC)c(OC)c3)C2=O)C1 1197700939 BEJYDNWYXOABNZ-UOEVCUDDSA-N 457.552 2.202 30 10 JEEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 1286357967 FCGYBSDRLAIBJK-KPFFTGBYSA-N 461.588 2.260 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1Cc1ccc(C#N)o1)[C@H]1CCS(=O)(=O)C1 1286395683 SUFCTAVNCTYATQ-SFHVURJKSA-N 453.499 2.148 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2CCc2cc(C(F)(F)F)ccn2)CC1 1286471574 MBVFKYPAUSISFV-KRWDZBQOSA-N 466.508 2.414 30 10 JEEE C=C(C)COCCn1c(Cc2ccsc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1286611391 JGNLWZXPSDYTPJ-UHFFFAOYSA-N 453.634 2.383 30 10 JEEE C=C(Cl)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1286632876 FXHPPTAUHQNAAJ-UHFFFAOYSA-N 471.993 2.472 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(OC(F)F)cc2)CC1 1286645627 GRPYMFDQOGLGEA-SFHVURJKSA-N 483.541 2.417 30 10 JEEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1286791880 GCCLCQIKSYFDDZ-UHFFFAOYSA-N 470.574 2.382 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H]2COCCO2)C1 1286798576 LMSNVDRSTDQSLK-RBUKOAKNSA-N 461.950 2.058 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1286812806 OUHTVLAGJVBBFW-QUCCMNQESA-N 479.578 2.202 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCN1CCOCC1(C)C 1288517642 DZPZHINPJUCWNE-INIZCTEOSA-N 450.547 2.443 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CC1(N(C)C)CCCCC1 1288839331 ADMOLMMUELWFMC-YLJYHZDGSA-N 451.641 2.283 30 10 JEEE C[C@H]1C[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(N(C)S(C)(=O)=O)CC2)CCO1 1291022542 IEMPAFVUOHPNHC-HKUYNNGSSA-N 472.615 2.492 30 10 JEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc([C@]2(C)NC(=O)NC2=O)cc1 1292637334 ZSXRWOPJFNEDAW-BTYIYWSLSA-N 450.923 2.393 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)Nc3ccccn3)n2CCC2(O)CCC2)c1 1300331883 SUXFZZCNSLLENE-UHFFFAOYSA-N 473.537 2.287 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3OCC[C@H]3COC)n2CC2CCOCC2)c1 1300336359 DOHNYYXNFVZECK-REWPJTCUSA-N 467.570 2.485 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1C[C@@H]1CCOC[C@@H]1OC)[C@H]1CCS(=O)(=O)C1 1300488051 AGRWQHSGPKEOIY-IHPCNDPISA-N 479.002 2.277 30 10 JEEE C#CCN(c1nnc(CC)n1Cc1ccc(OC)c(OC(F)F)c1)[C@H]1CCS(=O)(=O)C1 1300497375 AWUCZGACWGFRPD-HNNXBMFYSA-N 454.499 2.126 30 10 JEEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccnc(-n2cccn2)c1 1300558884 FNRSHXXEELHJOB-VWLOTQADSA-N 459.554 2.411 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@](C)(O)C(C)C 1300579397 UVSVDKKWFYIZPT-CYFREDJKSA-N 459.591 2.456 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnn(C)c3)n2C[C@@]2(O)CCCC2(C)C)n1 1300680976 IJVGOYDTZQJQIZ-DEOSSOPVSA-N 466.590 2.103 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCOc2ccc(Cl)cn2)CC1 1300685964 VRJDYPWPOSAELZ-HSZRJFAPSA-N 474.993 2.201 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2c(F)cccc2N2CCCC2)CC1 1300710765 KNNRLCIURATARP-UHFFFAOYSA-N 495.603 2.170 30 10 JEEE C=C(Br)Cn1c(Cc2ccsc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1300852576 AQPRBULCQLNCBE-UHFFFAOYSA-N 465.377 2.360 30 10 JEEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1301260282 YROAVCSPXLJHOA-HSZRJFAPSA-N 454.579 2.218 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H]1c1ccc(COC)o1 1301478188 ILRNRUVZOJONBU-KRWDZBQOSA-N 465.514 2.309 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC(S(=O)(=O)c2ccccc2)CC1 1301506174 HDKZYUGZZRCGHP-UHFFFAOYSA-N 480.594 2.009 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCc2cc(F)ccc2C1 1301567919 MXXSEZBNLFCYHH-UHFFFAOYSA-N 470.530 2.228 30 10 JEEE C#CCN1CCC(NC(=O)c2cc(S(=O)(=O)N3CCc4ccccc43)ccc2OC)CC1 1303789503 CMVMIRCELFNUQS-UHFFFAOYSA-N 453.564 2.274 30 10 JEEE Cc1ccsc1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(C#N)C1 1304071099 HCMFEHRFGLYNFD-UWJYYQICSA-N 478.644 2.354 30 10 JEEE CCOc1ccc(O[C@@H](C)c2nnc(N3CC[C@](F)(C#N)C3)n2CCN2CCCS2(=O)=O)cc1 1314194963 DOGHHCCTGBKNLA-JTSKRJEESA-N 492.577 2.294 30 10 JEEE COc1cc(-c2nnc(N(C)[C@@H](C)CC#N)n2C[C@@H](C)N2CCOCC2)cc(OC)c1OC 1315290652 FJUCCVZPTIILPI-DLBZAZTESA-N 458.563 2.430 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1cnn(CCOC)c1 1358870326 KODUSBXWZIAHBB-INIZCTEOSA-N 455.950 2.211 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@]2(O)CCSC2)c1 1358901141 ALSZRWUIWGXBJZ-RPBOFIJWSA-N 499.637 2.243 30 10 JEEE C#CCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCN(C(=O)C(C)C)CC1 1358932966 DCKYSCOZRRCLMH-UHFFFAOYSA-N 477.657 2.361 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1358956446 FZVGEMTXRBBIHE-OFNKIYASSA-N 476.574 2.133 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@H](OC)[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1358965584 XLXMKIVYFZRIFN-IPELMVKDSA-N 465.645 2.322 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@](C)(O)c1ccco1 1358968597 RMRCHMSUDXHSBE-HSZRJFAPSA-N 451.914 2.435 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccc3F)n2CC2(O)CCOCC2)n1 1359027542 NAQVMVIAQXNBFX-UHFFFAOYSA-N 468.533 2.108 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCS(=O)(=O)C1 1359109217 SSUHHJLNXAEODU-INIZCTEOSA-N 452.602 2.186 30 10 JEEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCOC2(CCCCCC2)C1 1359127452 QNFNXVDFANJRPH-GOSISDBHSA-N 455.625 2.411 30 10 JEEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1359191121 OBUWVEYVFXYDPF-IFMALSPDSA-N 485.677 2.382 30 10 JEEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(C)CN(C2CC2)C1=O 1359241036 CXJICQZIUVGEKQ-UZUQRXQVSA-N 460.579 2.220 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N(C)Cc1cc(OC)ccc1Br 1359291295 LEHNLVRKDOCTLV-UHFFFAOYSA-N 479.379 2.126 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3F)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1359317506 KGCOLFXQYQWZTF-BLRPHQBRSA-N 452.490 2.392 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@H](C)[C@@H](OC)C1 1359333218 RAHYCTFLFURXIF-VDGAXYAQSA-N 462.572 2.253 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1359333696 GYTADXFADZFFGP-CGTJXYLNSA-N 466.554 2.467 30 10 JEEE CC(=O)N1CCN(CCn2c(Cc3c(F)cccc3F)nnc2N2CCC[C@](C)(C#N)C2)CC1 1359402085 NPUORZSLAYGQDR-XMMPIXPASA-N 471.556 2.441 30 10 JEEE CC(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C(N)=O)CC1 1359759438 HZPLYUPTQPBCRV-KNQAVFIVSA-N 452.559 2.492 30 10 JEEE C#CCCCC(=O)NCCNS(=O)(=O)c1cc(Br)ccc1Br 1359921824 AXIULZGGLQJVJN-UHFFFAOYSA-N 452.168 2.410 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1ccccc1CN1CCCC1=O 1360692855 AOHJYKXEKQZFNG-KOSHJBKYSA-N 499.641 2.189 30 10 JEEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)C1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1 1449307080 GSENEOFYRLQXIN-UHFFFAOYSA-N 450.561 2.117 30 10 JEEE CCCCN(C(=O)CNC1(c2cccc(C#N)c2)CC1)c1c(O)nc(=O)n(CC(C)C)c1N 1460095910 BWSAOJBLZOKUBL-UHFFFAOYSA-N 452.559 2.471 30 10 JEEE C#C[C@@H](NC(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1)c1ccc(Cl)cc1F 1478902158 ZDLAFYOIVDQQRD-LJQANCHMSA-N 458.925 2.312 30 10 JEEE CC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C(=O)N2CCOCC2)CC1)OC 1497383290 GTQQQKRVCMJECR-OAQYLSRUSA-N 482.585 2.229 30 10 JEEE COC(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCCO[C@H](C)C2)C1 1503862319 FLOUOVWEMJYVMT-NQIIRXRSSA-N 452.559 2.317 30 10 JEEE C#CCCCCn1c(N2CCN(CC(=O)N3CCCCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1507573178 COKIZVRMLUNJFV-AREMUKBSSA-N 486.661 2.257 30 10 JEEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](C(=O)OC)C1 1507588703 PKUCYWVZNAYJDJ-QZTJIDSGSA-N 461.563 2.389 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H](C)N(C)C1CC1)[C@@H]1CCS(=O)(=O)C1 1507628062 MWSRRQSGOZMGRD-FXAWDEMLSA-N 487.626 2.072 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC2(CS(C)(=O)=O)CC2)CC1 1507721725 LLQYJROPGMYTCY-SFHVURJKSA-N 475.590 2.137 30 10 JEEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCC(Cn2cncn2)CC1 1507753104 JJFKPERHMHCKPX-UHFFFAOYSA-N 470.628 2.144 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H](C)N1CCN(CC)CC1 1507762414 YWWVICKMWKODNG-GPUOULLFSA-N 458.651 2.337 30 10 JEEE C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1507853443 GEZYSHIMAXCPPN-UHFFFAOYSA-N 473.950 2.385 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Br)cc2)nnc1N1CC[C@@H](COC)C1 1508091533 MGHLPQZVLQYPEQ-OAHLLOKOSA-N 464.364 2.395 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)c2ccccc2OCC)CC1 1508091581 VMSDJIKMLRHXBE-OAQYLSRUSA-N 482.585 2.183 30 10 JEEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cc(F)cc(F)c1 1508162245 PVCBGLVEVCAPHH-GOSISDBHSA-N 487.598 2.445 30 10 JEEE C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)N[C@H]2CCNC2=O)ccc1Cl 1533941311 MJOROYJRGBCGJE-KRWDZBQOSA-N 451.907 2.479 30 10 JEEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1539028882 DQVBIQWFLLEMLX-DWLFOUALSA-N 482.610 2.391 30 10 JEEE C#CCN(c1nnc(C(C)C)n1C[C@H]1CCCN1C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1539203813 VKPVYKQVFVLISI-QZTJIDSGSA-N 465.620 2.428 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCOCc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1539221578 QCCBQKLHWOYRAQ-SFTDATJTSA-N 488.610 2.024 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H](OC)c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1539231074 OBPZUIVDSCFYIE-XUVXKRRUSA-N 462.547 2.283 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC[S@@](=O)C(C)(C)C)CC1 1539428609 UPCJXAPCESRZSS-MGBGTMOVSA-N 491.061 2.164 30 10 JEEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1539533727 TWMNMZLTGAZHTE-ACRUOGEOSA-N 473.647 2.493 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@@H](C)CC(N)=O 1539621072 PHMSVUPUEIFQCA-KNBMTAEXSA-N 461.588 2.030 30 10 JEEE C=C(C)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1539700071 MLSNZNGCIAPQCH-MRXNPFEDSA-N 456.572 2.435 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2csc([C@H](C)OC)n2)CC1 1539891098 XQEGBTLXETUGRZ-YJBOKZPZSA-N 496.659 2.226 30 10 JEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1540005642 MYAFOPZHTCDUDT-IRXDYDNUSA-N 459.563 2.449 30 10 JEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1540035629 FQSHNLPPKLPUSV-QZTJIDSGSA-N 483.635 2.219 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1540867578 AAKQRTGFSGPHOY-QGZVFWFLSA-N 450.522 2.282 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(=O)Nc2c(C)cccc2C)C1 1540892256 INZAAXMGSXJFPP-RBUKOAKNSA-N 473.599 2.217 30 10 JEEE C#C[C@@H](NC(=O)N1CCN(c2nccn3cnnc23)[C@@H](C)C1)c1ccc(Br)cc1 1565000126 TVCYUCRTNAEXJI-WMLDXEAASA-N 454.332 2.481 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1Cc1ccc(C(N)=O)nc1 1587621707 XQXCSTBAVTWHIF-INIZCTEOSA-N 470.537 2.236 30 10 JEEE C#CCCCCn1c(N2CCO[C@@H](Cn3nc(C)cc3C)C2)nnc1[C@@]1(OCC)CCOC1 1587793376 LDGDJAAJKFCLRM-ZJSXRUAMSA-N 456.591 2.452 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@](C)(O)[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1588041077 UMDQSRPQVBPVDL-LTMIRXACSA-N 460.600 2.378 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1CCc1cccc(C(=O)N(C)C)c1)[C@H]1CCS(=O)(=O)C1 1588059748 UDNBQDUJWYJSBY-NRFANRHFSA-N 471.627 2.048 30 10 JEEE C#CCN(c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCOC)[C@@H]1CCS(=O)(=O)C1 1588069723 SYXPBESXNZFKOU-LJQANCHMSA-N 460.600 2.428 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2sccc2c1 1588388035 XNBBUYSZZQXXHF-SFHVURJKSA-N 459.597 2.334 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1588628433 INGFYDWGVZIXBX-GOSISDBHSA-N 457.579 2.412 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H]2CCC[C@H](O)C2)CC1 1588899191 MHXSGMDTPQUJPC-RXVVDRJESA-N 481.597 2.479 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(OC)nc2)CC1 1588899745 VTDKXBXEDZZOCQ-UHFFFAOYSA-N 455.522 2.234 30 10 JEEE C#CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](OC)C1 1589070941 ZGPXCELXEMPZLV-IAGOWNOFSA-N 451.593 2.178 30 10 JEEE C=C(Br)Cn1c(N2CC[C@@](C)(N3CCOCC3)C2)nnc1[C@]1(OCC)CCOC1 1589459912 GSTJFRMAIMDYQC-UXHICEINSA-N 470.412 2.140 30 10 JEEE C=C(C)Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1589701342 ZTMXWZKXPBJEOD-RXVVDRJESA-N 459.639 2.152 30 10 JEEE C=CCn1c(N2CCN(C(=O)[C@@H]3CCCO3)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1595453534 YZUKEUCUXLAVIR-KSZLIROESA-N 460.579 2.062 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1595476604 LYARHDJMNNIUIZ-IEBWSBKVSA-N 470.549 2.451 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cnn(CC(C)C)c2C)C1 1595721424 FZUBPHUTSCKEHF-QUCCMNQESA-N 462.620 2.171 30 10 JEEE CNC(=O)CC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@](C)(O)C2CC2)CC1 1618729132 BRAIGHJZJVOGRR-DEOSSOPVSA-N 452.559 2.242 30 10 JEEE N#Cc1ccc(OCc2nnc(N3CCS(=O)(=O)CC3)n2CCOc2ccc(Cl)cn2)cc1 1620351701 GTHWJYUDSCFMJV-UHFFFAOYSA-N 488.957 2.091 30 10 JEEE COCCN(CCC#N)S(=O)(=O)NC[C@H]1c2ccccc2CCN1C(=O)OC(C)(C)C 1622121318 DLNPNGHYXWTCBB-IBGZPJMESA-N 452.577 2.217 30 10 JEEE COc1ccccc1CN(C[C@@H]1CCCO1)C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 1626105839 IFFQHUGIZYFQKB-PXNSSMCTSA-N 457.552 2.441 30 10 JEEE C#C[C@@H](CCC)NC(=O)N1CCN(CCS(=O)(=O)c2ccc(Br)cc2)CC1 1636561428 BWOYNNMSOHUWFK-KRWDZBQOSA-N 456.406 2.352 30 10 JEEE Cc1ccc(S(=O)(=O)N2CCC(NS(=O)(=O)Cc3cc(C#N)ccc3F)CC2)cc1 1653495420 BCVRZRVEZPNEEA-UHFFFAOYSA-N 451.545 2.279 30 10 JEEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N(CCS(C)(=O)=O)C1CC1 1689915404 ZZQLWRMMNLIEEW-UHFFFAOYSA-N 454.394 2.473 30 10 JEEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H](c1cccs1)N1CCOCC1 1690003818 YZDZYDLLEKIDCI-HYBUGGRVSA-N 469.611 2.138 30 10 JEEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cccnc1OC 1690077770 WIUYTGYMGFQPEZ-GOSISDBHSA-N 456.547 2.498 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCc1c[nH]c2ccccc12 1690103659 FXPUQQLVGYJGEN-IBGZPJMESA-N 455.584 2.380 30 10 JEEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2CC2(O)CCN(C(C)C)CC2)CC1 1690132511 RWOQQOSVYHMSSE-UHFFFAOYSA-N 480.657 2.464 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CCOC)[C@@H](CC)C1 1690235591 BHIBQOWUTHTDQO-HKBOAZHASA-N 460.623 2.042 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2cnn(C)c2)CC1 1690236357 LUMBGLAUIRVQHR-RXVVDRJESA-N 470.622 2.238 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)O[C@@H](c2ccccc2)C1 1690288304 QSLWRVUJQJIHNF-SXLOBPIMSA-N 461.588 2.154 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1690309775 KJYQNGRJGDXVAF-HNNXBMFYSA-N 451.453 2.193 30 10 JEEE C=C(C)COCCn1c(CC(C)(C)C)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1690312739 BKZXVXIJBNVCIY-IBGZPJMESA-N 469.652 2.090 30 10 JEEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 1690462426 GQNBUIDUSFROHX-HBMCJLEFSA-N 471.650 2.402 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(CN2CCC(O)CC2)cc1 1690595593 ZVSVHGIAGYJJFR-QFIPXVFZSA-N 485.654 2.364 30 10 JEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1690644473 NIWAWCALWXLOFB-SFTDATJTSA-N 489.665 2.377 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1690669153 VWJMUMLMGPLODI-UHFFFAOYSA-N 476.585 2.128 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](C)S[C@H](C)C1 1690672621 XWBYIGNNUOQNDD-BBWFWOEESA-N 480.635 2.219 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3OC)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1690694709 UGTKFAQBCYPMPH-ROUUACIJSA-N 461.588 2.017 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1690718945 CAGOCDREJAKYRM-PBHICJAKSA-N 481.981 2.301 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@H]1C(C)C 1690722187 ALTOPGIQJMUVQE-SFHVURJKSA-N 480.660 2.464 30 10 JEEE CN(C)[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1)C1CC1 1696600960 AIIXRLWXFHRKSV-VXKWHMMOSA-N 486.642 2.472 30 10 JEEE CO[C@@H]1COCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1697697715 BNGDITRVKDJQFV-KSEOMHKRSA-N 452.559 2.221 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccc(C#N)c3)n2Cc2cnn(C)c2)n1 1705631882 RPVOUMNTJZIPRU-UHFFFAOYSA-N 455.526 2.081 30 10 JEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 1705652555 DLMGSTXLJQCFLJ-LJQANCHMSA-N 459.538 2.410 30 10 JEEE C=CCCOCCn1c(Cc2ccc(F)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1705831114 GTTXOAZXZUWMKD-UHFFFAOYSA-N 451.568 2.072 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC(N2CCCNC2=O)CC1 1705906650 LJGXYOKDMVAAJF-UHFFFAOYSA-N 481.601 2.160 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCc2nccnc2C)C1 1705920074 PMWNQYHLWAAJDO-HXUWFJFHSA-N 497.625 2.318 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Br)c2)nnc1N(C)C[C@H](C)C(=O)NC 1705931133 GSULNEUWLJUMSC-AWEZNQCLSA-N 484.420 2.127 30 10 JEEE CC(=O)N1CCC(Cn2c(C(=O)NC(C)C)nnc2N2C[C@@H](C#N)[C@H](c3ccccc3)C2)CC1 1705966917 SJLGGIUPNXOVLH-YADHBBJMSA-N 463.586 2.418 30 10 JEEE CC[C@@H](c1ccccc1)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CC(=O)N(C)C 1708660554 BWJPKIHRVOKACD-ICSRJNTNSA-N 473.585 2.285 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC(=O)N1CCOCC1 1722295623 UZSYXJXXNDAHHU-MOPGFXCFSA-N 474.606 2.099 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(Cl)c(OC)c(OC)c1 1722297206 YQPNCOHASQFIIL-UKRRQHHQSA-N 452.964 2.357 30 10 JEEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H](C)CS(=O)(=O)CC 1722332386 KBBPTDJMWSHNCP-QZTJIDSGSA-N 483.635 2.259 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(CN2CCOCC2)CCCCC1 1722467343 RGCOFWHQFXVGKE-NZQKXSOJSA-N 492.690 2.163 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC(=O)NCC(F)(F)F 1722471843 STARTBKJJOYCKS-JOCHJYFZSA-N 487.486 2.346 30 10 JEEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1722480282 OWUMEANADZPZCX-JKSUJKDBSA-N 491.394 2.287 30 10 JEEE C=C(C)COCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCOCC2(CC2)C1 1722530232 CGPQCLXOJZKDKX-UHFFFAOYSA-N 475.615 2.405 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc(CN2CCCC2=O)n1C[C@H]1CCS(=O)(=O)C1 1722661147 UZEXIOGNMSOZMW-QGZVFWFLSA-N 461.563 2.167 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CCN(c2nccnc2C)CC1 1722694181 NGKVHHCSDLMCSH-UHFFFAOYSA-N 497.401 2.435 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCC[C@H](n2cncn2)C1 1722729797 XPGYCUOBZABRIY-SFHVURJKSA-N 459.551 2.042 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCO[C@H](COc2ccccc2)C1 1722736942 NQCHHCVAUVBTBD-VQTJNVASSA-N 462.572 2.015 30 10 JEEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC(F)(F)F)C[C@]2(CCCOC2)O1 1726661389 APOHPVTWKSDCNL-VFNWGFHPSA-N 478.475 2.270 30 10 JEEE COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(SC)CCN(C)CC2)CCO1 1730586188 GVFGOAZDEMWOKT-HXUWFJFHSA-N 456.616 2.496 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1Cc1cccc(CN2CCOCC2)c1)[C@H]1CCS(=O)(=O)C1 1740616646 DTZBZLPBVYDUPC-OFNKIYASSA-N 485.654 2.299 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1CC[C@H](C(F)F)N1CCOCC1 1740635462 WTJRCVXPMBYASC-LJQANCHMSA-N 471.508 2.145 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnn(C)c3)n2C[C@H]2N(C)CCCC2(C)C)n1 1740689176 QQSFHCNXAPCPPR-JOCHJYFZSA-N 479.633 2.282 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCCOc1ccc(F)cc1 1740782277 KOAJQFBDPKBKTL-IBGZPJMESA-N 467.567 2.232 30 10 JEEE C=C(Cl)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)Nc2ccccc2CC)CC1 1740809446 HWNRRIHRSBNACT-LJQANCHMSA-N 471.993 2.305 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N(C)CC(=O)NC(C)C 1740953792 RBIJPPFHMMRALI-UHFFFAOYSA-N 467.343 2.110 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1740955182 YBZABSWLXAOURD-DOTOQJQBSA-N 477.656 2.447 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1740988073 SBBVHZXCSUBHFA-ZWKOTPCHSA-N 461.544 2.317 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCO[C@@H](COc2ccccc2)C1 1740990552 VREYQPPKGKIWFR-OAQYLSRUSA-N 469.567 2.225 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1740994002 GQQNSFFUJIPISY-UHFFFAOYSA-N 478.663 2.338 30 10 JEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1748760095 SXBWIKAGJPRFQW-QGZVFWFLSA-N 488.614 2.413 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCCN(C)CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1748810399 VOLSVBNKWQTANN-SFHVURJKSA-N 499.559 2.465 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@]1(O)CCSC1 1748842269 JEQFAMLZNCECTP-XMMPIXPASA-N 462.579 2.006 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1noc(CC)n1 1748944687 BMVJPGAJKMMCIO-QGZVFWFLSA-N 472.546 2.147 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@@H](C)CN2CCOCC2)CC1 1748978318 KCXYPRIGUOUJET-IBGZPJMESA-N 487.446 2.431 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(Cl)cc2OC)CC1 1749001033 FDSNYDOHDVKDQL-UHFFFAOYSA-N 472.977 2.092 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1CC(F)(F)C1(OC)CCOCC1 1749049615 LWWMTEVFHBGNTR-HXUWFJFHSA-N 451.518 2.337 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc(-n2cccn2)cc1 1749054491 UAACDYIFNZKGHX-WZONZLPQSA-N 467.599 2.309 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](Cc2ccccc2)OC)CC1 1749342761 NTRFJIWKVILTJP-FGZHOGPDSA-N 489.642 2.271 30 10 JEEE C=CC[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCOCC1)c1ccccc1 1749385361 QDMURDAJDFXUMB-RTWAWAEBSA-N 475.615 2.198 30 10 JEEE C=CCCOCCn1c(C2CCC2)nnc1N1C[C@@H]2[C@@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1749457387 QJASEEMHXQUDPQ-QYZOEREBSA-N 495.646 2.265 30 10 JEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2ccccc2Cl)CC1 1749677558 CVUGRDQHPBRMRL-UHFFFAOYSA-N 468.993 2.422 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCC(NC(=O)C(C)C)CC1 1749679860 CCVJKTCLJUZZFQ-UHFFFAOYSA-N 458.538 2.039 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@]2(O)CCO[C@@H]2C)C1 1749697770 NIIQWPMHDNWFER-KKVAFCGZSA-N 466.380 2.367 30 10 JEEE Cc1noc(C)c1CN(C)c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)NC(C)C 1751954264 DBJADKQHYPZGQQ-UHFFFAOYSA-N 457.560 2.386 30 10 JEEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(c2cnn(C)c2)CC1 1760144099 CWKDBSYPLCCOOC-UHFFFAOYSA-N 466.977 2.335 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2C[C@H]2CCOC[C@H]2OC)CC1 1760270915 FOSMUQOFOQCJES-FYYLOGMGSA-N 481.597 2.183 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CCCN2CCCC2)CC1 1760271721 IXBOKOFOBROIJL-UHFFFAOYSA-N 455.632 2.086 30 10 JEEE C=C(C)Cn1c(Cc2ccncc2)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1760350037 OVYULRMIMJHBEH-UHFFFAOYSA-N 452.584 2.492 30 10 JEEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](C(=O)NC)C1 1760373838 CNRCPSDVOUYFFN-CVEARBPZSA-N 468.986 2.301 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1760517701 VOBKNKDCTTXVLA-KRWDZBQOSA-N 457.485 2.025 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CC[C@H](N3CCCC3=O)C2)cc1 1760529625 DDEYUOYHOMZYSY-IBGZPJMESA-N 452.559 2.231 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(C(=O)c2ccccc2)CC1 1760530115 KWBMZXSPNUZJLW-REWPJTCUSA-N 467.570 2.404 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2coc(-c3cccs3)n2)C1 1760535642 URURHYFTERVPKX-GOEBONIOSA-N 478.600 2.434 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(OC)c(Cl)c2)C1 1760535810 XMDHYGGAJIBTBX-ZBFHGGJFSA-N 469.995 2.380 30 10 JEEE CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC[C@@H](C)N2CCCCC2)CCO1 1767712197 GPIQRDHUFSRSNC-WIYYLYMNSA-N 451.575 2.032 30 10 JEEE COc1ccc(OC)c(CCCn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@@H](C#N)C2)c1 1770264591 DJEKDPLIJLNTNT-IBGZPJMESA-N 477.525 2.304 30 10 JEEE CS(=O)(=O)CCCn1c(-c2cccnc2)nnc1N1CCCN(c2ccccc2C#N)CC1 1770330231 DMBRZLYODCGHHL-UHFFFAOYSA-N 465.583 2.363 30 10 JEEE O=C(ON1C(=O)c2ccccc2C1=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 1772790966 WJNJHHXLSVPVHM-UHFFFAOYSA-N 450.419 2.120 30 10 JEEE CCN(C(=O)c1nc(C(=O)Nc2cccc(C#N)c2)c2ccccn12)[C@@H]1CCS(=O)(=O)C1 1858241769 CYVBGNPXJGIHAC-QGZVFWFLSA-N 451.508 2.107 30 10 JEEE N#Cc1c(NC(=O)COc2cccnc2NC(=O)NCCN2CCOCC2)sc2c1CCCC2 1858788320 CGKMQXPXCRBKRN-UHFFFAOYSA-N 484.582 2.365 30 10 JEEE COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CCO)cc(OC)c1OC 1862635837 SUKXZFTYIHBPNU-LJQANCHMSA-N 457.435 2.012 30 10 JEEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(OC)c(O)c2)c1 1862704565 CVQJRABRIVWHNR-QFIPXVFZSA-N 468.506 2.320 30 10 JEEE C[C@H](C(=O)Nc1c(C#N)cnn1-c1cc(F)cc(F)c1)N1C(=O)c2ccc(C(=O)O)cc2C1=O 1873684439 DKEGMJHBMZUOGS-SNVBAGLBSA-N 465.372 2.344 30 10 JEEE COc1ccc(N2C[C@@H](c3nnc(SCC(N)=O)n3/N=C/c3ccc(F)cc3)CC2=O)cc1 1874199245 JOWDBUZFYCSIGO-OZKYXLFASA-N 468.514 2.406 30 10 JEEE COc1ccc(CCc2nnc(SCC(N)=O)n2/N=C/c2ccc(O)c([N+](=O)[O-])c2)cc1OC 1874219026 QVCNPCRHEKHRDF-FOKLQQMPSA-N 486.510 2.154 30 10 JEEE CC(C)N1C[C@H](c2nnc(SCC(=O)NCc3ccco3)n2/N=C/c2ccccn2)CC1=O 1874333815 YPOABXSGOCWSMI-FVWOBLMASA-N 467.555 2.281 30 10 JEEE COC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1ccc(OC)c(OC)c1 1874337758 NVEAEJKSDZUGLA-WPZNHYQYSA-N 461.544 2.167 30 10 JEEE CCN1CCN(CC#CCOC2CCN(S(=O)(=O)c3ccccc3OC(F)(F)F)CC2)CC1 1889770813 NEVLNPNMENVOHH-UHFFFAOYSA-N 489.560 2.396 30 10 JEEE COc1ccccc1Oc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCC#CCN2CCCC2)cc1 1891805975 UMLYGJMCRBETJW-IBGZPJMESA-N 471.579 2.370 30 10 JEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1(CO)CCN(C(=O)OC(C)(C)C)CC1 2067993996 CXGLTROHRWZTAM-KRWDZBQOSA-N 453.580 2.419 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](Oc2c(I)cc(C#N)cc2[N+](=O)[O-])[C@H](O)C1 2090215048 APJYIMWMYWVAIU-OLZOCXBDSA-N 475.239 2.430 30 10 JEEE CC(C)(C)OC(=O)NCc1nc(CC(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)cs1 2180986298 ZUAYJGVPAPKLNU-UHFFFAOYSA-N 475.380 2.438 30 10 JEEE CC(C)(C)OC(=O)N=c1cc(C(=O)NCCc2cccc(B3OC(C)(C)C(C)(C)O3)c2)[nH][nH]1 2180992147 WUCWTVUJRVDHOT-UHFFFAOYSA-N 456.352 2.450 30 10 JEEE COC(=O)[C@H](CC(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)NC(=O)OC(C)(C)C 2185160526 FHDCWQZHHDOGMB-KRWDZBQOSA-N 462.352 2.058 30 10 JEEE CC(C)(C)OC(=O)N1[C@H](C(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)C[C@@H]2OCC[C@H]21 2206613996 ZYPRNZXOMXWROV-IKGGRYGDSA-N 459.352 2.486 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](NC(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)CCO1 2267005921 KFIAZRWREVVLDU-JKSUJKDBSA-N 450.341 2.381 30 10 JEEE Cc1nc(C(=O)N2CCC[C@@H](NC(=O)C(F)(F)F)[C@H]2C)c(B2OC(C)(C)C(C)(C)O2)s1 2267168741 FGASZWWJSMIVPS-ZYHUDNBSSA-N 461.315 2.422 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H](CNC(=O)OCc1ccccc1)C(F)(F)F 2267493478 ZVGSTPQZNGZQJM-INIZCTEOSA-N 496.295 2.306 30 10 JEEE CO[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2268638083 HGKUJMNGDAKGGA-DOMZBBRYSA-N 453.320 2.387 30 10 JEEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)N1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2268649501 DDSKJKZIZDKXCW-CHWSQXEVSA-N 467.401 2.121 30 10 JEEE CC(C)(C)OC(=O)N[C@H](C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1)[C@H]1CCCO1 2268698554 BMNOUAOUKGUYMN-CABCVRRESA-N 467.397 2.131 30 10 JEEE CN(Cc1ccccc1)C1(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CCOCC1 2281983718 YGRSRHYQNCRWRI-UHFFFAOYSA-N 454.380 2.120 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2C[C@H]3C[C@H]2CN3C(=O)OC(C)(C)C)n1 2282007002 ZWKSMKTYCIDVEG-UXLLHSPISA-N 460.384 2.330 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CC[S@@](=O)(=NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2282039294 SRCBIJXKVLBYKS-UUBFPDNSSA-N 483.371 2.425 30 10 JEEE C[C@@H]1C[C@H](NC(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)CCN(C(=O)OC(C)(C)C)C1 2282052646 PGPQPNMKYAAMGG-HZPDHXFCSA-N 462.400 2.485 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@]2(CNC(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)cc3)C[C@H]1CO2 2282186506 VVYIUIFFWHOAEE-UUOWRZLLSA-N 458.364 2.494 30 10 JEEE Cc1c(C(=O)NC[C@H]2CCC[C@H]2NC(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282543527 OZBILMGPHIMMHF-HZPDHXFCSA-N 462.400 2.451 30 10 JEEE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1N(C)C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2282587372 LQELLTQJBBDGJN-RDJZCZTQSA-N 462.400 2.437 30 10 JEEE Cn1nc(C(=O)N2CCC3(CC2)CN(C(=O)OC(C)(C)C)C3)cc1B1OC(C)(C)C(C)(C)O1 2282612770 WDISBIBIHZTASL-UHFFFAOYSA-N 460.384 2.192 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)Nc2nc(CNC(=O)OC(C)(C)C)cs2)n1 2282830304 RMFPMGKONOCERA-UHFFFAOYSA-N 499.424 2.001 30 10 JEEE C[C@H]1CCN(S(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CCN1Cc1ccccc1 2282842836 DOFCKTSTKPRHDN-SFHVURJKSA-N 474.436 2.004 30 10 JEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H](CC(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)O1 2283976379 CHVTXHITKCQOHW-GJZGRUSLSA-N 481.424 2.473 30 10 JEEE Cc1cc(CNC(=O)[C@H]2C[C@H](O)CN2C(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2289463630 MECQMOHKTMWOBC-PKOBYXMFSA-N 460.380 2.281 30 10 JEEE Cc1nn(C)c(C(=O)NC[C@H]2[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2359277352 IOHMMGSQYSDVKS-XHSDSOJGSA-N 460.384 2.013 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2C[C@H](NC(=O)c3ncncc3B3OC(C)(C)C(C)(C)O3)C[C@@H]21 2359281200 XNTFVEIZDDTNBB-JKQORVJESA-N 458.368 2.197 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1)CCO2 2362568741 JWAONFWEANNVHR-QFIPXVFZSA-N 479.408 2.294 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@H]2C[C@@H](NC(=O)c3coc(B4OC(C)(C)C(C)(C)O4)c3)C[C@H]21 2368868486 YVZAIBGZDXOZNU-GVDBMIGSSA-N 462.352 2.476 30 10 JEEE Cc1ccc(S(=O)(=O)/N=C(/CN2CCCCC2)NCCNS(=O)(=O)c2ccccc2)cc1 13842879 UIAJKIYGZPTNIL-UHFFFAOYSA-N 478.640 2.136 30 10 JEEE CC(=O)NCc1ccc(C(=O)N/C(=N/c2ccc3c(c2)OCCO3)NC[C@H]2CCCO2)cc1 15828174 DVRXYJDSZUUSOC-HXUWFJFHSA-N 452.511 2.280 30 10 JEEE COC(=O)c1ccc(/C=N/Nc2nnc(SCC(=O)NCCc3ccccc3Cl)n2N)cc1 20913532 AWDGCPJWFHYWSS-BRJLIKDPSA-N 487.973 2.329 30 10 JEEE COc1ccc(OC)c([C@H]2/C(=C(/O)c3ccc(C)o3)C(=O)C(=O)N2CCN2CCOCC2)c1 102501318 HHDORSPJXPBZFC-AGGMBTAESA-N 456.495 2.359 30 10 JEEE COC(=O)c1[nH]c(C)c(/C(O)=C2/C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(OC)c(OC)c2)c1C 102502079 UVSFJXXWEWRHOR-NNWMPZTLSA-N 485.537 2.419 30 10 JEEE C=CC[C@@H](CO)NC(=O)c1cc(I)cc(I)c1O 320731707 KMSVNNQQTTVNNL-QMMMGPOBSA-N 473.048 2.268 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)Nc3cc(C(=O)N4CCN(C)CC4)ccc3OC)cc2C1=O 520031050 NVGXIRNJNZVQAQ-UHFFFAOYSA-N 462.506 2.117 30 10 JEEE N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CCc1ccccc1 729668253 DFLXYPZQITZVHX-UHFFFAOYSA-N 483.597 2.362 30 10 JEEE C#CCN(C(=O)c1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 1125953547 GTZCMTUXISPXRX-KRWDZBQOSA-N 458.492 2.445 30 10 JEEE Cc1ccc(CNC(=O)NCC(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)cc1 1146289524 FYEADQYQQRJLSX-UHFFFAOYSA-N 457.538 2.405 30 10 JEEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@H](CC(N)=O)C1 1286314490 DNEGFGJINLSUGH-SFHVURJKSA-N 472.615 2.091 30 10 JEEE C#CCCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCN(C(=O)OC)CC1 1286333851 OLKPIOJFKXMPCX-UHFFFAOYSA-N 479.629 2.335 30 10 JEEE C#CCCCn1c(N2CCC[C@@H](S(C)(=O)=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1286359921 NCLFUNWQSWJOQF-FGTMMUONSA-N 465.620 2.476 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1CCC[C@H](O)C1)[C@@H]1CCS(=O)(=O)C1 1286388346 NQTYKIKYMIZBBK-RLLQIKCJSA-N 488.610 2.140 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CCc1ccc(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1286391200 GUERCZINEFXODC-NRFANRHFSA-N 495.605 2.151 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1SCCc2ccccc21 1286446730 HFEUPLCVKNAAJT-WOJBJXKFSA-N 475.640 2.101 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN1CCCC(C)(C)C1 1286463145 IZDISGMSWUDJCF-UHFFFAOYSA-N 463.590 2.129 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)N1CCc2ccccc2C1 1286465281 LEXFQJSJEXAHCP-NRFANRHFSA-N 450.587 2.152 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C)c2nc(C)cs2)CC1 1286470318 XMWLJMNYTJWPGW-MRXNPFEDSA-N 450.572 2.249 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc(Cl)nc3)n2C[C@]2(O)CCO[C@H]2C)n1 1286472515 YWIDSOLGMGKWJW-GAJHUEQPSA-N 485.976 2.016 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H](C)CN2CCCCC2)CC1 1286484162 FANSVXVZLMNAIJ-HXUWFJFHSA-N 469.659 2.147 30 10 JEEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@@H](COC(C)C)C1 1286503362 AIPDVMUFSSPXDC-GOSISDBHSA-N 482.610 2.189 30 10 JEEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1286504560 NUAPWPQXOQJHCK-UHFFFAOYSA-N 455.632 2.005 30 10 JEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 1286509364 ZLUKDDVBCLZURS-UHFFFAOYSA-N 472.640 2.099 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1286549220 WNNSVDOEEMLOIX-GMAHTHKFSA-N 487.693 2.392 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)NCC)CC1 1286552870 SJCQLCZZLKIEDB-FYYLOGMGSA-N 463.586 2.056 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCCO2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1286558042 ZMUUKTYOQPYVHV-SXLOBPIMSA-N 467.636 2.361 30 10 JEEE C=CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1286688258 VQDCLTIPZFZOCO-WOJBJXKFSA-N 467.636 2.159 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(c2nccc(OCC)n2)CC1 1286783186 NGRHCWWBNPFFHT-UHFFFAOYSA-N 482.976 2.416 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1286783604 WHWJPUWTZLXGJH-LJQANCHMSA-N 485.566 2.043 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCN(C3CCC(C)CC3)CC2)nnc1[C@@]1(OCC)CCOC1 1286824778 IPOFLWGDEWKDHM-SLXFGWRHSA-N 495.690 2.232 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC1(N(C)C)CCCCC1 1288839329 ADMOLMMUELWFMC-XLIONFOSSA-N 451.641 2.283 30 10 JEEE Cc1noc(C)c1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1290935590 ADLGHEQQDPHKIV-KRWDZBQOSA-N 456.528 2.005 30 10 JEEE CCc1nn(C)c(OC)c1Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1292775883 HAKDAANVSUUYJO-HNNXBMFYSA-N 471.587 2.039 30 10 JEEE CCS(=O)(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCSCC2)CC1 1297638682 DNPPMURXPDXJMR-UHFFFAOYSA-N 474.656 2.269 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(NC(=O)C2CCC2)c1 1300308787 QDLPMWKISPAQJH-QFBILLFUSA-N 455.584 2.425 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1CCN1CCc2sccc2C1)[C@@H]1CCS(=O)(=O)C1 1300499513 SYWLHSWBNOYENE-LJQANCHMSA-N 461.657 2.223 30 10 JEEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCOC(C)(C)C1 1300631499 RFGJENYRCSNMBL-LJQANCHMSA-N 476.622 2.157 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2cc(COC(C)(C)C)on2)CC1 1300731336 OVPHZWVJBXDUIV-UHFFFAOYSA-N 458.563 2.132 30 10 JEEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)c2ccco2)CC1 1300770202 PIYVKCFIEOQGID-UHFFFAOYSA-N 453.572 2.062 30 10 JEEE C=C(Br)Cn1c(N2CCCN(Cc3cnn(C)c3)CC2)nnc1[C@@]1(OCC)CCOC1 1300862609 BBEBGVWQOCWJMQ-OAQYLSRUSA-N 494.438 2.285 30 10 JEEE C=C(C)COCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC(CC(N)=O)CC1 1300972235 KHWMEFVJSJPDQN-UHFFFAOYSA-N 489.646 2.231 30 10 JEEE CNC(=O)CCN(C)c1nnc(COc2ccc(C#N)cc2)n1CC1(N2CCOCC2)CCCCC1 1315040187 DGLGOOMXTAQPAA-UHFFFAOYSA-N 495.628 2.336 30 10 JEEE C[S@](=O)C1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)CCC1 1316364488 AZPRMTBKALCVFN-WHUARKNTSA-N 491.639 2.043 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCCOc1ccc(C)cc1 1358890139 LQBDYFINKFGYJY-FPOVZHCZSA-N 475.615 2.237 30 10 JEEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1358915693 MLTUGAGARQZTBB-HSZRJFAPSA-N 456.616 2.374 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC(=O)N(C)CC)[C@H]1CCS(=O)(=O)C1 1358957166 QMDXRZBKGLHZTM-AEFFLSMTSA-N 494.017 2.177 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1CC1(N(C)C)CCC1)[C@@H]1CCS(=O)(=O)C1 1358960131 YAVNKSQLEZIIRP-LJQANCHMSA-N 487.626 2.073 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(C)(C)NC(=O)OC(C)(C)C 1358973928 KWFNPQOQKYYCEJ-UHFFFAOYSA-N 475.557 2.297 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(Br)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1358986920 LNNBSMNMKHMUIX-QGZVFWFLSA-N 490.427 2.452 30 10 JEEE C#CCN(CC#CC)c1nnc(COc2ccc(Br)cc2)n1Cc1cnnn1C 1358997428 RYYNNHPNDOUXJS-UHFFFAOYSA-N 454.332 2.259 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCn2cc(Cl)cn2)CC1 1359033253 VJUXODKVZNHCGN-UHFFFAOYSA-N 455.950 2.268 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC[S@](=O)CC 1359071653 YDYWWHZFSZHVRY-ZGVBGQFESA-N 465.620 2.347 30 10 JEEE C=C(Br)Cn1c(Cc2ccccn2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1359085065 AGOOKHJPDUGMPC-UHFFFAOYSA-N 483.436 2.423 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(S(C)(=O)=O)CC1 1359103421 OAFPSPBVFJXWBP-OXQOHEQNSA-N 493.655 2.264 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Nc2cnn([C@@H]3CC3(F)F)c2)nnc1[C@H](C)NS(C)(=O)=O 1359106158 YGVPYRPNSYMFFY-XNISGKROSA-N 471.534 2.390 30 10 JEEE C=C(C)CN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1359107585 PWAUHYFDHMMPAW-NQIIRXRSSA-N 455.625 2.003 30 10 JEEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1 1359121980 QHZFFXLOYDVPMH-QGZVFWFLSA-N 463.991 2.372 30 10 JEEE C=CCCOCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(C)=O)C[C@H]1C 1359228210 WVSRPBPKQBWMDV-QUCCMNQESA-N 492.621 2.236 30 10 JEEE C=CCCOCCn1c(N2CCN3C(=O)OC[C@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1359229620 OUZGBQRNQSQLHN-FGTMMUONSA-N 476.578 2.282 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 1359304590 CCZNXJFFFMMUMV-GOSISDBHSA-N 485.520 2.383 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)ccc2Br)nnc1N1CCO[C@H](C#N)C1 1359328561 IHMBKPLNDNHZIV-OAHLLOKOSA-N 496.387 2.046 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@]1(O)CCSC1 1359476542 GVFGAAXUPPYNJT-RDPSFJRHSA-N 469.659 2.107 30 10 JEEE C=C[C@H](O)C(=O)Nc1ccc(N2CCOCC2)c(S(=O)(=O)Nc2ccccc2Cl)c1 1463602447 CBUSZBSCOUNPGX-SFHVURJKSA-N 451.932 2.463 30 10 JEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@H](c2ccc(S(C)(=O)=O)cc2)C1 1470457674 XDKUYHNMTGEDRY-MOPGFXCFSA-N 450.557 2.297 30 10 JEEE CCOc1cccc(Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@H](C#N)C2)c1OC(F)F 1502880668 HCVSQDAWPWQMKO-OAHLLOKOSA-N 464.473 2.193 30 10 JEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2ccccc2)C[C@H]1C 1507559087 ZYSRCAYKHFTPFX-UXHICEINSA-N 458.632 2.403 30 10 JEEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1507604735 GPBYHIWPVJLDQH-LJQANCHMSA-N 494.003 2.432 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccccc1OCC)[C@@H]1CCS(=O)(=O)C1 1507637738 MNNGQOQQLDAFMM-VWPQPMDRSA-N 488.610 2.076 30 10 JEEE C#CCN(CC)c1nnc(-c2cc(Br)cn2C)n1CCCN(CC)S(C)(=O)=O 1507681321 SSWCPALOOHIBCL-UHFFFAOYSA-N 471.425 2.177 30 10 JEEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)[C@H]2CCCC[C@H]21 1507844196 DSYUSDCQHHDPMQ-NMLBUPMWSA-N 467.636 2.219 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1508136342 FAJPGLFUJZRKHH-JOCHJYFZSA-N 464.563 2.459 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 1508148221 QDQPSGMRBYUXSD-CRAIPNDOSA-N 466.526 2.260 30 10 JEEE C[C@H](CCn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1)N1CCCCC1 1509987280 DQCFOUGPOPXGLB-HXUWFJFHSA-N 465.602 2.376 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1CCCN1CCC[C@H]1C(=O)N(C)C 1538974109 RZRHDQPQXMFSCA-AEFFLSMTSA-N 490.450 2.447 30 10 JEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2csc(C)n2)CC1 1539072734 VFGHGEHVFTYREJ-SFHVURJKSA-N 462.645 2.071 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC1(CCOC)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1539201150 XNNYVWRTGIBDGW-LJQANCHMSA-N 479.647 2.030 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1cc(F)cc(OC)c1)[C@H]1CCS(=O)(=O)C1 1539216988 YVAUWBOUSXYKLP-IBGZPJMESA-N 469.542 2.471 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1CCNC(=O)c1cccs1)[C@H]1CCS(=O)(=O)C1 1539220557 SWYBPPXDLAIUAD-FQEVSTJZSA-N 497.646 2.296 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCOc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1539224908 KFDIEYDAXZJAMJ-LJQANCHMSA-N 471.608 2.340 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H]1CCCN(CC(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1539224915 KGORHDZLZDDOMO-DHIUTWEWSA-N 484.670 2.259 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2C[C@H](C)SC)CC1 1539474316 OJLHHOGOBOMRFZ-INIZCTEOSA-N 455.584 2.434 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2CC(C)(C)C(=O)NCC)CC1 1539490464 VWELJUZJUAQQPY-UHFFFAOYSA-N 484.576 2.124 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(c2ccccc2C#N)CC1 1539517475 OHIMVHBEPUFRJM-HXUWFJFHSA-N 484.651 2.135 30 10 JEEE C=C(Br)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@](C)(C(N)=O)C1 1539599271 CAZOKRDQGNLATQ-XOBRGWDASA-N 499.410 2.197 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C)c(Br)c2)nnc1N(C)CC(=O)NC(C)C 1540865761 RDXFELNQPMAFCH-UHFFFAOYSA-N 463.380 2.279 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CCN(C)C(=O)OC(C)(C)C)CC1 1540869112 BXSBRNWAUSCLDA-GOSISDBHSA-N 489.621 2.005 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1540901160 UZITXCWUZBLCOC-UHFFFAOYSA-N 481.557 2.278 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCC([C@H]3CCCO3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1540908805 OEPDAXZWCMTFNB-OFNKIYASSA-N 482.647 2.315 30 10 JEEE CC(C)N(CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](C#N)C1)C(C)C 1541615973 APJFPFJIPHWZPW-LJQANCHMSA-N 460.604 2.196 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H]1CCCN1C1CCCCC1 1541927035 CUINIJNHDXIAEB-CDXJDZJCSA-N 467.615 2.127 30 10 JEEE CCOCc1nnc(N2CCN(c3ccccc3C#N)CC2)n1CC1(O)CCN(C(C)C)CC1 1548172845 FXQKPPKAKMVQEI-UHFFFAOYSA-N 467.618 2.248 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccc(OC(F)F)c(F)c1)[C@H]1CCS(=O)(=O)C1 1588055018 ROBFTJHGLXCEAX-HOTGVXAUSA-N 484.500 2.198 30 10 JEEE C#CCN(c1nnc(CC)n1CCc1ccn(-c2ccc(F)cc2)n1)[C@@H]1CCS(=O)(=O)C1 1588059453 OJEFWGBEOLEZID-HXUWFJFHSA-N 456.547 2.035 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1CC[S@](=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1588065487 ZVXJYQJUSLDXQB-JWRCQZCYSA-N 468.670 2.104 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCc1nccnc1C 1588128918 UXETUNIUPVYZOH-UHFFFAOYSA-N 452.522 2.089 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2Cc2cccc(Br)n2)CC1 1588954297 DMGKSLJDJNNSLW-UHFFFAOYSA-N 457.376 2.402 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2Cc2ccc(N(C)C)nc2)CC1 1588962136 WCXGHYRXLHPLCH-UHFFFAOYSA-N 487.608 2.375 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCN(C(C)=O)C[C@@H]2C)nnc1[C@]1(OC(C)C)CCOC1 1589577223 ATRUWRNLBFBQRG-UQWVPHONSA-N 461.607 2.357 30 10 JEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1593764123 YPOJRNPTQIETRD-UHFFFAOYSA-N 467.549 2.331 30 10 JEEE C=C1CCN(c2nnc(CSc3ccccc3OC)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1594134016 IPOTUWDONIMXIC-OAQYLSRUSA-N 464.613 2.285 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1CCNC(=O)c1ccco1 1595094707 WLZOBAQSBIMQSP-LJQANCHMSA-N 459.510 2.316 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H]1CCOC1 1595162187 YTSOZCGOXJYFKF-HKUYNNGSSA-N 481.644 2.292 30 10 JEEE Cc1nn(C)c(C)c1Cn1c(-c2cccc(C#N)c2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1612463889 DEXKEESRCYKKRX-UHFFFAOYSA-N 482.614 2.076 30 10 JEEE CCS(=O)(=O)NCCn1c(C2CCC2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1617391829 DRGQOXRCMSGSNX-UHFFFAOYSA-N 471.631 2.069 30 10 JEEE CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(c2nccs2)CC1 1618815261 HOODCWFWWWNKFF-UHFFFAOYSA-N 466.571 2.038 30 10 JEEE COc1cc(Cn2c(Cn3nc(C)cc3C)nnc2N2CCC(C#N)CC2)ccc1OCCO 1619100797 CIXDENCVTMJLKL-UHFFFAOYSA-N 465.558 2.308 30 10 JEEE C=CC[C@H](CO)CNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(Br)s1 1624242468 CKUKMBMZRLTVNT-STQMWFEESA-N 451.408 2.355 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H]1CCN(S(C)(=O)=O)C1 1689840255 WHBLMVRSIAKPOG-CABCVRRESA-N 451.980 2.347 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCOc1ncccc1F 1689845777 BIJWMGAULIPGEG-OAHLLOKOSA-N 457.535 2.309 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCCO3)n2C[C@]2(C)CN(C)C2=O)c1 1689872431 YMZLLZKSCSRYHN-CYFREDJKSA-N 450.543 2.054 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cn3nc(C)cc3C)n2CC[C@@H]2COCCO2)c1 1689873235 BSDQFRBWORNIIO-JOCHJYFZSA-N 477.569 2.001 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@@]1(C)CCCO1)[C@@H]1CCS(=O)(=O)C1 1689996247 FVSDNPARIIIITA-XMSQKQJNSA-N 462.547 2.192 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@]1(O)CCS(=O)(=O)C1 1690034729 QDBQIJSNMKJULS-SANMLTNESA-N 491.617 2.365 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCNC(=O)C2CCC2)CC1 1690114793 HTEQYUKYIKZAIS-UHFFFAOYSA-N 474.407 2.097 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2cccc(O)c2)CC1 1690124121 FWULUQOVSSAIBH-OAQYLSRUSA-N 482.585 2.096 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](c1c(F)cccc1F)N(C)C 1690189771 BLCLDNOUJHABJD-LZFQIVBZSA-N 480.585 2.462 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCCN2CCC(C)CC2)CC1 1690375708 RNWHSQRWJMZPSP-OAQYLSRUSA-N 480.679 2.280 30 10 JEEE C=CCC(C)(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1690422138 FIZRIYXYAXJODG-UHFFFAOYSA-N 495.671 2.423 30 10 JEEE C=CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@](C)(C(N)=O)C1 1690454129 VEBVSGYRRLKEMG-JOCHJYFZSA-N 460.604 2.253 30 10 JEEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(c2nc(C)ns2)CC1 1690465090 RLYCODDVORFLJK-QGZVFWFLSA-N 465.649 2.413 30 10 JEEE C=CCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC(CCC(N)=O)CC1 1690648339 ZEZYXJWQLYKOJT-UHFFFAOYSA-N 451.619 2.311 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCO[C@H](c2noc(C)n2)C1 1690675089 PBKJHAOVVAKKRZ-IBGZPJMESA-N 467.530 2.045 30 10 JEEE CC[C@@H](C)NC(=O)c1cccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)c1 1694209330 AXEPYQIBNPAJPN-DYESRHJHSA-N 484.626 2.497 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2c(Cl)cccc2OC)CC1 1705647361 CQRMNURXKCIJRT-QGZVFWFLSA-N 457.962 2.458 30 10 JEEE C=CCC(C)(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(S(C)(=O)=O)CC1 1705791904 HQYMEUSHZUGQBA-UHFFFAOYSA-N 488.662 2.136 30 10 JEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ccc(F)c(F)c1)C1CC1 1705854432 KOOSMVCLMZXBIJ-LJQANCHMSA-N 483.541 2.123 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@]1(C)COCCO1 1705863552 XDEDIESCSATYKY-IERDGZPVSA-N 467.567 2.026 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@@H](C)O[C@H](C)C1 1705903249 RTSBZQNGYLYFPN-KZNAEPCWSA-N 462.595 2.308 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2C[C@H](OC)[C@H](OC)C2)nnc1C1(c2ccccc2)CCC1 1705939399 WUZDRMDZZDTYDE-BGYRXZFFSA-N 460.600 2.199 30 10 JEEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 1705944263 ZSZYSXZYIIODQQ-GOSISDBHSA-N 458.563 2.250 30 10 JEEE CC(C)(C)c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CC1(C(N)=O)CCOCC1 1706119135 HYQCZKCFWUUZMW-IBGZPJMESA-N 452.559 2.307 30 10 JEEE N#CCC1CCN(c2nnc(CN3CCCC3=O)n2CCS(=O)(=O)c2ccccc2)CC1 1712886741 DKTHZCWKPDNSFN-UHFFFAOYSA-N 456.572 2.004 30 10 JEEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC1([S@@](C)=O)CCC1 1722301219 KPIIFXQVVZKKGT-AUSOSSAASA-N 468.671 2.402 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(Cc2nc(COC)no2)CC1 1722481729 ACOZKACHNCDUCR-HNNXBMFYSA-N 482.383 2.280 30 10 JEEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1722531363 QTNGIDUOIBOGJO-NRFANRHFSA-N 486.598 2.253 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1722692753 VJGOLGQHBFBMNU-LJQANCHMSA-N 483.573 2.164 30 10 JEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C2CC2)C1 1722703215 XEGLXPISBIIWQA-VQTJNVASSA-N 498.632 2.181 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H]2CCCS(=O)(=O)C2)C1 1722721648 KIKWKJXJOUVRPP-FUHWJXTLSA-N 451.618 2.240 30 10 JEEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@]2(CCc3ccccc32)C1 1722731671 BQHVTDOBFVAAPO-JTSKRJEESA-N 477.656 2.486 30 10 JEEE Cc1ccc(C)c(OCc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)c1 1724274898 GJXWRUXRUFONPM-GCJKJVERSA-N 476.578 2.197 30 10 JEEE CC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(=O)N2CCOCC2)CC1)OC 1727251619 AKLRPJHIFDYWAO-OAQYLSRUSA-N 452.559 2.317 30 10 JEEE COCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1730730795 BJKGEGNKLKPQGD-DVECYGJZSA-N 454.575 2.169 30 10 JEEE CSC1(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCN2CCOCC2)CCOCC1 1731060385 HLHGDJCUDZXJNU-UHFFFAOYSA-N 456.616 2.497 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccc3Cl)n2C[C@@]2(O)CCN(C)C2)n1 1740688128 QVMZIKCTOHOWGK-XMMPIXPASA-N 484.004 2.148 30 10 JEEE C=C(Br)Cn1c(CC2CCCC2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1740747596 PCQVTWIUNWCJDH-HNNXBMFYSA-N 451.369 2.392 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1740751585 MBOIPRRRKLLSPW-NNWRFLSQSA-N 491.633 2.059 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 1740961425 BLROYVJZVBHPPL-JOCHJYFZSA-N 491.518 2.349 30 10 JEEE CCO[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCc2cccc(C(=O)N(C)C)c2)CCOC1 1746695521 GWHUADVAFIYYOV-DNQXCXABSA-N 470.549 2.317 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1cc(Cl)ccc1OC)[C@@H]1CCS(=O)(=O)C1 1748824221 LPYIKEHVDTVMRZ-IEBWSBKVSA-N 464.975 2.467 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](CC)Oc2cccc(F)c2)CC1 1748971567 VLTLIIMIKYCSSR-FQEVSTJZSA-N 454.550 2.266 30 10 JEEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CCc2c(OC)cc(OC)cc2OC)CC1 1748993986 STEYBFRBEZUSRN-UHFFFAOYSA-N 476.581 2.288 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2Cc2cccnc2OCC(F)F)CC1 1749017251 YOASJPLEHZSAOC-UHFFFAOYSA-N 495.534 2.317 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccn2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1749127717 ORLYFXMVHSVXQD-NFBKMPQASA-N 467.618 2.312 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)OC)CC1 1749137246 XDCPTQAUZABCEV-LPHOPBHVSA-N 474.587 2.139 30 10 JEEE C=C(C)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1749198631 OXTSPEDRSHWKLC-IBGZPJMESA-N 450.591 2.129 30 10 JEEE C=C(Cl)Cn1c(Cc2ccccc2OC)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1749272554 VGJQWQBIXWKTIY-QFIPXVFZSA-N 458.950 2.445 30 10 JEEE C=C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@H](C)N2CCOCC2)CC1 1749293823 VSVUZRCXUSFGQG-LJQANCHMSA-N 474.631 2.073 30 10 JEEE C=CC1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCN2CCCS2(=O)=O)CC1 1749323693 JGDNFEIYJBNLAF-UHFFFAOYSA-N 493.033 2.299 30 10 JEEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1749454097 AYDAQZJKKFIBEK-UHFFFAOYSA-N 456.639 2.266 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC[C@H]2COCCO2)C1 1749712325 IHDMXCLEEIWZJT-AABGKKOBSA-N 493.605 2.173 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCS(=O)CC1 1749725184 SDUKMGRQHVWEIR-HNNXBMFYSA-N 468.670 2.301 30 10 JEEE CC1(C)CC(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@@](C)(C#N)C2)C1 1751285852 BMYBIWWCAMUPJK-UTKZUKDTSA-N 450.609 2.177 30 10 JEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 1760144924 FARSXHSIIXRUCL-CVEARBPZSA-N 494.021 2.205 30 10 JEEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCc1ccncc1 1760206706 JCDINGOWSUQFNN-UHFFFAOYSA-N 453.594 2.353 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1nccs1 1760250193 XDTWVWFKMSBZID-KRWDZBQOSA-N 476.603 2.372 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2Cc2cnn(CC)c2)CC1 1760273466 VWUHYIVLGGYVDA-UHFFFAOYSA-N 465.533 2.227 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CCOc2ccccc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1760325423 QSCXSEBVUBFGJK-WMZHIEFXSA-N 489.642 2.399 30 10 JEEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)CCc2ccc(OC)cc2)CC1 1760347595 MATJKMWWGDKTRG-UHFFFAOYSA-N 466.586 2.267 30 10 JEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1760359809 LHJBOYLOMYQTRL-HXUWFJFHSA-N 456.595 2.118 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@]2(CCCOC2)C1 1760412524 MUWPGNSHEBPJFZ-PGRDOPGGSA-N 467.636 2.220 30 10 JEEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1C[C@H](F)CN1Cc1cccs1 1760455969 DGISSIJTKYAOIU-PMPSAXMXSA-N 456.613 2.185 30 10 JEEE C=CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1C[C@@H](C)N1CCOCC1 1760501941 INMBEEJAPOXPNH-MRXNPFEDSA-N 467.412 2.406 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1760516476 OFQGYHHORJRRFC-QGZVFWFLSA-N 498.563 2.263 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCC[C@@](C)(OC)C1 1760521302 PFJBEVGRFCRHMS-RUZDIDTESA-N 479.585 2.373 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 1760525725 OQQJISHQSFABDH-INIZCTEOSA-N 457.560 2.317 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC([C@@H](O)c3ccc(F)cc3)CC2)nnc1[C@@]1(OCC)CCOC1 1760528792 MLYOKGQIEYFMFN-WIOPSUGQSA-N 487.576 2.322 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCN2CCOC[C@@H]2C)C1 1760538299 XXYQEPBEEBZMSG-AZUAARDMSA-N 457.575 2.464 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1760553617 WWLVQGHLMNWUKK-UHFFFAOYSA-N 486.598 2.332 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)ccc2C)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1760557218 DRSSUJUXBUDHJF-UXHICEINSA-N 487.626 2.037 30 10 JEEE C=CCSCCn1c(C2CC2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1760564265 UATOWHRJXLGEQA-UHFFFAOYSA-N 454.647 2.351 30 10 JEEE C=CCSCCn1c(CCOc2ccccc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1760567449 BCPZTTANVXRLTP-UHFFFAOYSA-N 470.599 2.339 30 10 JEEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCN(C)C(=O)OC(C)(C)C 1763112255 HANSBHFQBFHHRM-INIZCTEOSA-N 455.567 2.084 30 10 JEEE N#Cc1cccc(NC(=O)c2nc(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)n3ccccc23)c1 1858241781 DOCOOFKZBBRQNS-UHFFFAOYSA-N 488.529 2.078 30 10 JEEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@@H]2c2ccc(O)c([N+](=O)[O-])c2)ccc1F 1862509017 VMINYLVBEUJYLJ-LJQANCHMSA-N 457.414 2.462 30 10 JEEE C=CCn1cc(OCC(=O)NCc2ccccc2Cl)c(=O)cc1CN1CCN(C(C)=O)CC1 1870653590 NXPWHWJQFBVLBQ-UHFFFAOYSA-N 472.973 2.047 30 10 JEEE Cc1cc(N2CCN(C(=O)[C@@H]3SCC(=O)N(C(C)C)[C@@H]3c3ccc(C#N)cc3)CC2)ncn1 1889547117 UJPVCCSEUZIFFH-DHIUTWEWSA-N 464.595 2.399 30 10 JEEE Cc1cc(CNS(=O)(=O)CCN2C(=O)c3ccccc3C2=O)sc1B1OC(C)(C)C(C)(C)O1 2023679771 DXFYDHZHLYUUDJ-UHFFFAOYSA-N 490.412 2.071 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]1CNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2255795946 KKBJAGQRLMLILI-UONOGXRCSA-N 472.438 2.486 30 10 JEEE CCn1cc(C(=O)N[C@@H]2CCN(C(=O)OCc3ccccc3)C2)nc1B1OC(C)(C)C(C)(C)O1 2255814793 DNKSTKRBCFWXGE-GOSISDBHSA-N 468.363 2.343 30 10 JEEE CC(C)(C)OC(=O)NCCCC[S@@](C)(=O)=NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2267140519 CQZZYIGUIZPITH-JGCGQSQUSA-N 470.401 2.252 30 10 JEEE CN(C)C(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2267376723 AGSDGAABGCIGIJ-UHFFFAOYSA-N 458.389 2.265 30 10 JEEE C[C@H](CCNS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1)N(C)C(=O)OC(C)(C)C 2267379696 TZCUKTIRFRTLRP-OAHLLOKOSA-N 469.413 2.305 30 10 JEEE COC[C@H](ONC(=O)OC(C)(C)C)C(=O)N(C)Cc1sccc1B1OC(C)(C)C(C)(C)O1 2268630489 LGDXRBCDLSHQDG-HNNXBMFYSA-N 470.397 2.477 30 10 JEEE C[C@H](NC(=O)[C@H]1OCC[C@@H]1NC(=O)OC(C)(C)C)c1nscc1B1OC(C)(C)C(C)(C)O1 2268634157 GTTZHOKRJKVULM-NOLJZWGESA-N 467.397 2.302 30 10 JEEE C[C@@H](C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1)N1CCN(C(=O)OC(C)(C)C)CC1 2268655447 LWFLCDHZIALVLP-AWEZNQCLSA-N 466.413 2.322 30 10 JEEE CC(C)(C)OC(=O)NCC[C@H](O)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1F 2268703071 ZXPHIHFNDSXZLL-AWEZNQCLSA-N 456.295 2.478 30 10 JEEE Cc1c(C(=O)NC[C@H]2C[C@@H](C)N(C(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281795542 QCSJPKGVIKUCFC-GDBMZVCRSA-N 462.400 2.403 30 10 JEEE Cc1c(C(=O)N[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281801693 ULXOHCHTZSPGES-LSDHHAIUSA-N 462.400 2.449 30 10 JEEE CC(C)(C)OC(=O)NC[C@@]12CC[C@@H](CN(C(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)C1)C2 2281977346 OCAZNDSPUXFSOZ-CMJOXMDJSA-N 460.384 2.476 30 10 JEEE Cc1nn(C)c(C(=O)N2C[C@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C2)c1B1OC(C)(C)C(C)(C)O1 2281983354 TUGCRXWWQXTLEQ-GJZGRUSLSA-N 462.400 2.498 30 10 JEEE CC1(C)OB(c2cnsc2C(=O)NC[C@]23CN(Cc4ccccc4)C[C@@H]2CCO3)OC1(C)C 2282016060 SIKWINJBDLNJLF-UUOWRZLLSA-N 469.416 2.463 30 10 JEEE Cc1nc(C(=O)NC[C@H]2CO[C@@H](CNC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2282524405 JCRZFNNBJOUGBF-LSDHHAIUSA-N 481.424 2.410 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC3(CCN(C(=O)OC(C)(C)C)CC3)C2)n1 2282541744 CSOUXIRWHYOVKG-UHFFFAOYSA-N 460.384 2.192 30 10 JEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CC[C@@H](CO)[C@@H](NC(=O)OC(C)(C)C)C1 2282549533 MCBMVNRQPPPQCB-RDJZCZTQSA-N 464.368 2.235 30 10 JEEE Cc1nn(C)c(C(=O)N2C[C@@H]3CN(Cc4ccccc4)C[C@H]3C2)c1B1OC(C)(C)C(C)(C)O1 2282583154 GCFHRSTUYOROAW-PMACEKPBSA-N 450.392 2.232 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)c3sccc3B3OC(C)(C)C(C)(C)O3)C[C@H]2[C@H]1CO 2282686194 PGWUUQCFVWRUIX-ZMSDIMECSA-N 478.420 2.347 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H](COCc1ccccc1)C(=O)O 2284469864 PUXOXKARROLPDM-IBGZPJMESA-N 455.316 2.394 30 10 JEEE C[C@@H](O)CN(CCNC(=O)OC(C)(C)C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1O 2285346813 FSQFMAKAPYAYIR-OAHLLOKOSA-N 464.368 2.039 30 10 JEEE Cc1nn(C)c(C)c1C(O)=C1C(=O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1ccc(F)cc1 2296626453 XPGVQJDQZBNDFN-OAQYLSRUSA-N 456.518 2.320 30 10 JEEE COc1cccc(C=Nn2c(CNC(C)=O)nnc2SCC(=O)NCc2ccccc2)c1OC 2330794351 CDPNUEIZNQFHBI-UHFFFAOYSA-N 482.566 2.222 30 10 JEEE COc1cccc([C@@H]2c3c(nc(NCc4ccc5c(c4)OCCCO5)[nH]c3=O)NC(=O)[C@H]2C#N)c1O 72461305 MPWXMYXXHYYTNG-KXBFYZLASA-N 489.488 2.481 30 10 JEEE CCOc1ccc(/C=C/C(=O)[C@H]2C[C@@H](NC(=O)CN3C(=O)c4ccccc4C3=O)CCN2)cc1OC 585823970 CRPRBIYMTGIVLO-OGQVZARBSA-N 491.544 2.209 30 10 JEEE N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccccc2)c(=O)n1-c1ccc(F)c(Cl)c1 590996225 AILSPCWKCIQFHO-UHFFFAOYSA-N 469.925 2.053 30 10 JEEE CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)Cn1cnc2c(c(Br)nn2C)c1=O 727233573 RKBNVQLONCRSMK-CQSZACIVSA-N 485.342 2.365 30 10 JEEE C#CCCN1CCN(C(=O)c2ccccc2NS(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1136499023 IFOMNJBTKXQQSJ-UHFFFAOYSA-N 455.536 2.040 30 10 JEEE C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H](CO)Cc2ccc(C(F)(F)F)cc2)cc1 1150262412 PTUPCQIRUBHCOM-INIZCTEOSA-N 454.470 2.198 30 10 JEEE C#CCCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CC(=O)N(C)C[C@H]1C 1286334070 RAYZCMNYNVIWLM-JOCHJYFZSA-N 463.630 2.113 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@H](C)CN1CCN(CC)CC1 1286408543 CVHISRNCWLUGOO-ZJSXRUAMSA-N 462.598 2.137 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccc(C)cc1)N1CCCC1 1286409388 KXUDANNDKSQELA-GOTSBHOMSA-N 465.623 2.399 30 10 JEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CCCn1cc(Br)cn1 1286414942 FJDUSLDGOPGUTC-UHFFFAOYSA-N 486.399 2.392 30 10 JEEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2CCCCN2CCOCC2)CC1 1286485119 VBZIOKGCZBHYQY-UHFFFAOYSA-N 452.603 2.033 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CC2(C)C)CC1 1286493329 ULXHUSMWTKPUGP-QGZVFWFLSA-N 454.600 2.282 30 10 JEEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1286508770 VTKVHCVHNJBVFA-UHFFFAOYSA-N 481.670 2.155 30 10 JEEE C=C(C)COCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@H](C(=O)NC)C1 1286611813 OLDBSWQHRCCKSW-FQEVSTJZSA-N 468.606 2.007 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1286782301 QCXHUTIRIYWMMF-UHFFFAOYSA-N 471.518 2.070 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](c2cccc(Br)c2)C1 1286787897 LLCKGHVQIUAZPO-FUHWJXTLSA-N 476.375 2.425 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1286792486 ZLNLTOLAYXFIDZ-RTWAWAEBSA-N 455.559 2.106 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1ccccc1F 1286813912 FQYQIXXGRULASS-UHFFFAOYSA-N 458.519 2.302 30 10 JEEE CCN1CCN(C[C@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N(C)C[C@@H]2CCN(C(C)=O)C2)CC1 1296183853 HFGFUSUEIYVTLF-URXFXBBRSA-N 492.672 2.395 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1Cc1ccc(F)cn1)[C@H]1CCS(=O)(=O)C1 1300498015 FZQWZOUNSXCOHQ-KRWDZBQOSA-N 475.496 2.356 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN1CCC(C)CC1 1300642645 LUSXQLSAYDVZBN-LJQANCHMSA-N 476.622 2.399 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCCCN2CCCC2)CC1 1300689531 XUTBLMZYDLRYGE-UHFFFAOYSA-N 484.670 2.370 30 10 JEEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 1300761336 KRGQGXBMTHVVCC-ORFBVSJDSA-N 488.702 2.355 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1300891726 MLMQNQRUNGXPQB-VIZSFHNOSA-N 472.634 2.370 30 10 JEEE C=C(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1300946278 VYOGVRWQDTZGGR-INIZCTEOSA-N 466.633 2.218 30 10 JEEE C=C(C)COCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1300993577 CIIPZTUYGNPMKA-FQEVSTJZSA-N 451.575 2.462 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](c2ccc(C)cc2)N(C)C)CC1 1301085785 AFUKHMHBWNDZRT-YADHBBJMSA-N 488.658 2.379 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C(C)C)N2CCCC2)CC1 1301124197 HGHKTMZZFNLKFK-LEWJYISDSA-N 480.679 2.134 30 10 JEEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(NC(=O)N(C)C)cc1)C1CC1 1301314273 RKJMCBPBMIIJJS-OAHLLOKOSA-N 461.592 2.185 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC=C(COC)CC1 1301500706 OSEADPUREMSJFD-IBGZPJMESA-N 474.606 2.478 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(C)nc3ccccc23)nnc1N1CC(=O)N(C)C[C@@H]1C 1301569564 ZFTYLFXOPCDQIG-KRWDZBQOSA-N 468.583 2.069 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(C)(COC)CC1 1301586603 UUVLNRVKUZEBNJ-UHFFFAOYSA-N 486.598 2.448 30 10 JEEE CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C[C@H](C)O1 1306409029 HAQKMWCYPGOTKE-ILZDJORESA-N 458.588 2.102 30 10 JEEE COCCN(C)CCCn1c(-c2cccc(C)n2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1316064971 DJJPUIWOTLGRRH-UHFFFAOYSA-N 475.601 2.210 30 10 JEEE C#CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)NCC)CC1 1358913025 DFPWTRRWTXNAGA-LJQANCHMSA-N 489.621 2.242 30 10 JEEE C#CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1358922902 WCEGBLOTFKDTJP-IBGZPJMESA-N 473.599 2.380 30 10 JEEE C#CCN(c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCOCCCO)[C@@H]1CCS(=O)(=O)C1 1358958687 UCRVXYMMGZUOIA-IEBWSBKVSA-N 492.667 2.157 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(C(N)=O)CCCC1 1358994137 GEVUJDJKXBMASP-IBGZPJMESA-N 484.601 2.095 30 10 JEEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCc1cccc(C(N)=O)c1 1359007087 URGKZNONRBHALQ-UHFFFAOYSA-N 465.583 2.039 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccccc3Br)n2CCC(=O)NCCC)CC1 1359033111 QCQPXNYRHLEUCB-UHFFFAOYSA-N 459.392 2.379 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2c(F)cc(F)c(F)c2F)CC1 1359047430 GSMAIWWRAMMXSR-UHFFFAOYSA-N 453.440 2.385 30 10 JEEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 1359125371 AMUUDXUGHGHXKP-QXUYBEEESA-N 474.650 2.395 30 10 JEEE C=CCCOCCn1c(-c2cccc(C)n2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1359225651 GIJCYLSZOFSKJJ-UHFFFAOYSA-N 462.558 2.062 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N(C)CCS(C)(=O)=O 1359293700 XKKKDWGCORPJOV-UHFFFAOYSA-N 470.599 2.136 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1359299090 UXFSIVIABLTAQD-XLIONFOSSA-N 479.585 2.228 30 10 JEEE N#Cc1ccc(N2C[C@@H](C(=O)NC[C@@H](O)COc3ccccc3Br)CC2=O)cc1 1445527399 CNXRARJAUPNVTN-DOTOQJQBSA-N 458.312 2.230 30 10 JEEE C#C[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1)c1ccc(Br)cc1 1460783705 FEZKQZGHHXACNT-HNNXBMFYSA-N 453.314 2.167 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCc2cc(OC)ccc21 1507538084 KJBJLWSSPONTEL-JLMWRMLUSA-N 487.626 2.198 30 10 JEEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN([C@H](C)c2nc(C(C)C)no2)CC1 1507593419 OPUXWOGYFPPCGT-GOSISDBHSA-N 454.579 2.204 30 10 JEEE C#CCN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1C[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1507623464 SPUFJRGESIMIJS-HHXXYDBFSA-N 476.002 2.144 30 10 JEEE C#CCN(c1nnc([C@@H](C)OCCOC)n1Cc1ccc2[nH]c(C)cc2c1)[C@H]1CCS(=O)(=O)C1 1507625085 FVQUNWVJBLCSTB-NQIIRXRSSA-N 485.610 2.467 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1CC1(C(=O)N(C)C)CCCC1)[C@H]1CCS(=O)(=O)C1 1507634778 MOHWZDAJCKIQPP-IBGZPJMESA-N 489.667 2.206 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccc(F)cc1)N(C)C 1507668599 ADODMLQQZVXOSK-TZIWHRDSSA-N 457.575 2.085 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc2c(cc1OC(F)F)OCO2 1507669181 IWXZKNLDBIAELD-OAHLLOKOSA-N 492.504 2.022 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCC(=O)N2CCCCCC2)CC1 1507740025 WTWWTWKDMBLYFG-OAQYLSRUSA-N 470.618 2.278 30 10 JEEE C#CCSCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCNC(=O)CC1 1507750910 HJLOEJPFXZLJKX-UHFFFAOYSA-N 462.620 2.085 30 10 JEEE C=C(C)COCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(C(C)=O)CC1 1507835465 BINVUQHOAJZSLZ-UHFFFAOYSA-N 460.966 2.123 30 10 JEEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1507873388 KDUCSIIDPXWNJT-LPHOPBHVSA-N 499.996 2.405 30 10 JEEE C=CCn1c(-c2ccc[nH]2)nnc1N1C[C@H](NC(=O)OC(C)(C)C)C2(CCS(=O)(=O)CC2)C1 1508055196 HTYHATWPHPOYOH-KRWDZBQOSA-N 476.603 2.368 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@H]2OCCC[C@H]2C1 1508071398 IVCFIMKEDWVLMH-PKOBYXMFSA-N 472.977 2.169 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1508090745 JSBVBCPDWPUBEV-QGZVFWFLSA-N 498.481 2.115 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(OC)cc2)nnc1N1CCN2CCCC[C@@H]2C1 1508149432 VBFDIBQDZWBCLB-LJQANCHMSA-N 475.615 2.141 30 10 JEEE CCO[C@]1(c2nnc(N(C)Cc3cccc(C#N)c3)n2C[C@@H]2CCOC[C@H]2OC)CCOC1 1516140824 DQHLAEKLGWZINH-YZUZCNPQSA-N 455.559 2.490 30 10 JEEE CCOC1CC(O)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(CNC(C)=O)CC2)C1 1516390280 BDOAKBXGLMCXFU-UHFFFAOYSA-N 452.559 2.099 30 10 JEEE CN(C)C(=O)CCCn1c([C@@H]2CCOC2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1516958623 ADILWZUUCINVLM-JOCHJYFZSA-N 465.602 2.234 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CC[C@]2(O)C[C@H]3CC[C@H]2C3)c1 1539038440 PCOWHUSGOBNWSA-DYLHXGEVSA-N 478.597 2.414 30 10 JEEE C#CCCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(C(=O)NCC#C)CC1 1539067250 BUYKDALRSNXRIJ-UHFFFAOYSA-N 457.538 2.363 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1CC1(CCOC)CCCCC1)[C@H]1CCS(=O)(=O)C1 1539215872 KSJZZNSYFJBLQP-IBGZPJMESA-N 472.615 2.349 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccnc1Oc1cccc(F)c1 1539239925 SYSSASOZVQLETC-QGZVFWFLSA-N 482.541 2.336 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCc2ccc(F)cc2C)CC1 1539467378 SADBSDJLPCGBLQ-UHFFFAOYSA-N 454.550 2.072 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](C)N(C)c2ccccc2)CC1 1539476887 HEJSDIADLNELAR-IBGZPJMESA-N 460.586 2.169 30 10 JEEE C#CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)CC(=O)NC(C)(C)C 1539510281 GWDCDCGSIYXTGA-UHFFFAOYSA-N 453.572 2.311 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCCN1CCC 1539669809 VBDBCGJFSHRHIR-PMACEKPBSA-N 468.668 2.278 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1nnnn1CC1CC1 1540072224 ROYMNMYKKSXOMV-QGZVFWFLSA-N 457.583 2.460 30 10 JEEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cc(OC)ccc1Br 1540853684 JBKMSLVDTKGULG-LBPRGKRZSA-N 458.382 2.482 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC(C(=O)NCc2ccc(F)cc2)CC1 1540873397 WSEIECZGCAFTHT-UHFFFAOYSA-N 491.571 2.238 30 10 JEEE C=CCOc1ccccc1Cn1c(N2CCN(C)C(=O)[C@H]2C)nnc1[C@]1(OCC)CCOC1 1540881417 ITNBVTQXMIRADE-KOSHJBKYSA-N 455.559 2.210 30 10 JEEE C=CCSCCn1c(N2C[C@H](C)[C@H](N3CCOCC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1540922530 QHWYJNYTSPPRTC-MZKRTTBSSA-N 465.664 2.395 30 10 JEEE CC(C)(C)NC(=O)CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCO[C@@H](C#N)C1 1541196525 CKLNBZASBOYLBN-SFHVURJKSA-N 489.621 2.426 30 10 JEEE CCCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1547258701 AUQAZCGYFVEMTH-UHFFFAOYSA-N 462.533 2.127 30 10 JEEE CNC(=O)[C@@H]1CN(C(=O)NCCOC)CC12CCN(c1ccc(C#N)c(C(F)(F)F)c1)CC2 1548375859 ZPNCOCMSGYQTDU-SFHVURJKSA-N 467.492 2.197 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H](OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1588035571 VJFPQNLDTNKRFS-NVXWUHKLSA-N 482.404 2.087 30 10 JEEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1C[C@@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1588090653 ZZBJAYIIQHNYDW-MAUQACMESA-N 499.612 2.027 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCNC(=O)OC(C)(C)C 1588193918 NMUOOULQKPLXNC-UHFFFAOYSA-N 471.583 2.336 30 10 JEEE C#CCN(CCOC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CCCn2cc(C)nc21 1588581158 IMIZRCDOGPKQFE-YKSBVNFPSA-N 456.591 2.487 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H]2C[C@H](C)O[C@H](C)C2)CC1 1588884550 DWQYVMSPSKFVAF-REPLKXPHSA-N 472.634 2.366 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC[S@@](=O)CC)CC1 1588961704 JMJBSNNYKNRYKY-XIFFEERXSA-N 471.627 2.208 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCNC(=O)OC(C)(C)C 1589186083 RFBNDCZDUOMJAD-HSZRJFAPSA-N 463.546 2.438 30 10 JEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 1593689651 CHYMVJFNDACCJJ-UHFFFAOYSA-N 469.546 2.342 30 10 JEEE C=CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2cnn(C)c2)C(=O)C1)c1ccccc1 1594535037 PVEIWWNGODGBDN-HXUWFJFHSA-N 476.585 2.363 30 10 JEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(Cc2ccccc2)C[C@H]1C 1595569512 IKBUURQZJSSJMX-OAQYLSRUSA-N 462.602 2.153 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](c2cccs2)N2CCOCC2)C1 1595664354 BXGJFFCJXMUKDV-OALUTQOASA-N 474.631 2.333 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1595773195 TXQBFAPSQSMBJX-OAQYLSRUSA-N 482.006 2.369 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc3cccnc23)nnc1N1CCC[C@@H](NC(C)=O)C1 1595777899 UCOMKXSYFDZLPC-LJQANCHMSA-N 468.583 2.199 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1595785337 XGUNWNUJGRNCMM-HNNXBMFYSA-N 458.510 2.014 30 10 JEEE Cc1cc(CN2CCN(c3nnc(-c4cccc(C#N)c4)n3CCNC(=O)C(C)C)CC2)on1 1612647917 ATVBKDNUVVVGOC-UHFFFAOYSA-N 462.558 2.208 30 10 JEEE CC(C)N(CCS(C)(=O)=O)CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 1652927331 CWBOTINKBZBVCE-KRWDZBQOSA-N 450.605 2.111 30 10 JEEE C=CCN(CCc1ccco1)C(=O)NCC[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1687572795 YQCXTJVNJPFUMV-SFHVURJKSA-N 455.577 2.444 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ccc(OC)nc1OC 1689835334 KJHJRANBLWJVRG-MRXNPFEDSA-N 484.582 2.114 30 10 JEEE C#CCCCCn1c([C@H]2CCOC2)nnc1N1C[C@@H](C(=O)OC)[C@H](CNC(=O)OC(C)(C)C)C1 1689893239 WLVUFAFOQXHQTR-IPMKNSEASA-N 475.590 2.336 30 10 JEEE C#CCN(c1nnc([C@@H](CC)c2ccccc2)n1CCNC(=O)C(C)C)[C@H]1CCS(=O)(=O)C1 1689980925 ZMXDVZHAFAMICX-SFTDATJTSA-N 471.627 2.219 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCn1cc(Br)cn1)[C@H]1CCS(=O)(=O)C1 1689983999 JHZQRVQJDYGUEH-INIZCTEOSA-N 493.387 2.132 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H](C)c1ncc(C)s1)[C@@H]1CCS(=O)(=O)C1 1689986267 MBKVMDDSXIEKPU-NVXWUHKLSA-N 458.613 2.479 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1CCc1ccc(SC)cc1)[C@H]1CCS(=O)(=O)C1 1689989433 FNIAZZBRTFADRM-OALUTQOASA-N 460.625 2.373 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccccc2Br)n1CCN/C(O)=C1/N=CC=CC1=O 1690011360 MEODLYKLEHORFS-VZCXRCSSSA-N 479.338 2.307 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)c1ccc(OC)c(OC)c1 1690019115 BDEHWNCDRILOQJ-GOSISDBHSA-N 470.595 2.248 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1CCNc1nccc(C(F)(F)F)n1 1690056223 KICJPMYWYMAOFE-WMZOPIPTSA-N 477.491 2.386 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(NC(=O)CC(C)C)c2)CC1 1690109013 CQSLJHJCENIIMM-UHFFFAOYSA-N 477.613 2.302 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1690152320 HDZWQZYPSWGTEK-QFIPXVFZSA-N 492.624 2.354 30 10 JEEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1690160105 XHZNMSRXTWFHRI-GCJKJVERSA-N 471.627 2.486 30 10 JEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccccc2CN2CCC[C@@H]2CO)CC1 1690364850 YRHAVVNCZOTTIB-DENIHFKCSA-N 488.658 2.050 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccccc2OCC)CC1 1690375614 PDDXLXDDKKLHIN-HXUWFJFHSA-N 461.588 2.214 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1690662913 FZUJAROXRQOWEN-AWEZNQCLSA-N 492.403 2.383 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCC[C@@H](N2CCCC2)C1 1690677510 YOYABLPTEAVTFD-LJQANCHMSA-N 454.575 2.233 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2snnc2C)C1 1690689243 ABJYCWRHZZCLBR-MRXNPFEDSA-N 460.585 2.338 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 1690722302 DQXVZLQVAMQVDH-UHFFFAOYSA-N 488.589 2.359 30 10 JEEE C=CCSCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCO[C@H](CNC(C)=O)C1 1690740356 RHMNVQHTZCCOSB-OAQYLSRUSA-N 467.599 2.391 30 10 JEEE C[C@@]1(C#N)CCCN(c2nnc(COc3ccc(F)cc3)n2CC2(O)CCS(=O)(=O)CC2)C1 1692845694 HOWFOWSXVGPVET-NRFANRHFSA-N 477.562 2.066 30 10 JEEE COC(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCn2cc(Cl)cn2)C1 1697061555 GEEYSGGUVJXIIE-MRXNPFEDSA-N 455.906 2.278 30 10 JEEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1705561517 QRKJXUFIAGDDKG-QWFCFKBJSA-N 490.651 2.412 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCc1nc(C(F)(F)F)cs1)[C@H]1CCS(=O)(=O)C1 1705571962 MOXGTESNEIRLDJ-UONOGXRCSA-N 489.545 2.474 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 1705598338 HFSJEWSXJDSSFM-KURKYZTESA-N 487.548 2.368 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2CC2(C)C)CC1 1705646186 ASWXTAUGGMNGJQ-LJQANCHMSA-N 469.611 2.361 30 10 JEEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1705686565 CHQGKKXYBHZDGB-CYBMUJFWSA-N 462.356 2.162 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1705705107 CRCAOLPBXHPCIV-LVCYWYKZSA-N 474.606 2.485 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1oc(CCC)nc1C 1705716756 UTBURMKTESRKPZ-SFHVURJKSA-N 466.608 2.311 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC(C(=O)NC2CCCCC2)CC1 1705906029 PPUVZEVOCIUUOX-UHFFFAOYSA-N 465.602 2.231 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 1705933970 XPXFFEUGMYLPMI-UHFFFAOYSA-N 498.609 2.208 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CCN2CCCC[C@H]2C1 1705937983 KEHWCXAONCWYSL-SFHVURJKSA-N 463.579 2.272 30 10 JEEE Cc1ccc(S(=O)(=O)NCCn2c([C@H]3CCC(=O)N3)nnc2N(C)Cc2ccc(C#N)cc2)s1 1707560492 DIMFGSOHTHFCJR-GOSISDBHSA-N 499.622 2.086 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@](C)(OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1722364442 ZWHCTXVVHAUPFS-OFNKIYASSA-N 453.568 2.259 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1CCCN1CCN(CC)CC1 1722375449 CRJDNNWKAKZOKN-UHFFFAOYSA-N 472.435 2.147 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCN1CCCCC1=O 1722395663 ABELGEAOUXWKSY-NRFANRHFSA-N 498.628 2.452 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1722444848 GUKPVHVKLXFOLD-LJQANCHMSA-N 469.611 2.044 30 10 JEEE C#CCSCCn1c(-c2ccc(Br)s2)nnc1N1CCN(CCOC)C(=O)C1 1722453636 APNJLHLBJNTKOP-UHFFFAOYSA-N 484.445 2.431 30 10 JEEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1722480613 RZOMLXWMMNPYGI-DLBZAZTESA-N 469.384 2.321 30 10 JEEE C=CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1722608137 WFAVGKBNZGDCNH-ACRUOGEOSA-N 460.623 2.101 30 10 JEEE C=CCN(CC=C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC(=O)N1CCOCC1 1722669140 NNVZEHBCJXYZAT-UHFFFAOYSA-N 477.569 2.273 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)c1cccc(Cl)c1 1722672199 MBTNYHWNXUFPAG-KNQAVFIVSA-N 496.033 2.351 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C(=O)OC)CC1 1722691551 RGLASSZEWYCKET-SFHVURJKSA-N 456.547 2.226 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1722695727 OAUYQBINFHTIGU-WBMJQRKESA-N 465.341 2.489 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(Nc2ccccc2Cl)CC1 1722697995 AXRNXNXWAOHDOI-MRXNPFEDSA-N 493.033 2.217 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2C[C@H](F)COC)C1 1722713845 JSKHQVQWHFJDDO-IRXDYDNUSA-N 456.522 2.441 30 10 JEEE C=CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1722738538 KPONYHFHBMXGQB-SFTDATJTSA-N 470.643 2.440 30 10 JEEE CC(C)(C)OC(=O)N1CCC(c2nnc(N3CC[C@](F)(C#N)C3)n2CCn2cncn2)CC1 1722973779 FKOZIAGIOKINSG-NRFANRHFSA-N 459.530 2.126 30 10 JEEE C[C@]1(C#N)CCCN(c2nnc(C(=O)Nc3ccccn3)n2CCC(=O)N2CCCCC2)C1 1724004370 GQGIJHRQVQXBOA-HSZRJFAPSA-N 450.547 2.458 30 10 JEEE Cc1cc(C)cc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CC2CCN(CCN(C)C)CC2)c1 1724187774 CHRMPGGAHKLXPF-DEOSSOPVSA-N 481.645 2.476 30 10 JEEE COCC1(Cn2c(CCc3ccc(OC)cc3)nnc2N2CCO[C@@H](C#N)C2)CCOCC1 1730517573 FJLKDZWBYIVJHV-NRFANRHFSA-N 455.559 2.244 30 10 JEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1ccc(C(F)(F)F)cc1)[C@H]1CCS(=O)(=O)C1 1740616285 XSTUCUNBVVMIDN-SFHVURJKSA-N 495.527 2.208 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@H](C)c1nc(C)cs1)[C@@H]1CCS(=O)(=O)C1 1740616523 CDAVDSDUNZFBSI-CECAUBDESA-N 493.655 2.126 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1740617021 KIBGHZIETDPUFE-YQVWRLOYSA-N 462.547 2.220 30 10 JEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1N(C)CCCC1(C)C 1740637021 MWLMXULFSZGYHZ-HXUWFJFHSA-N 467.643 2.431 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC(=O)NCc2ccco2)CC1 1740691976 POIGYGMGDXYUEN-UHFFFAOYSA-N 456.909 2.402 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CC2CCN(CC(F)(F)F)CC2)CC1 1740697616 AGGOSUXRJBAXBY-UHFFFAOYSA-N 461.536 2.293 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)CC1 1740704826 YPIXCQSCMDGTOS-PMACEKPBSA-N 479.629 2.194 30 10 JEEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1cccs1)C(C)C 1740717574 WCXKTSQQIJPVDG-SFHVURJKSA-N 483.685 2.454 30 10 JEEE C=CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1740869818 AKVVJAXUFWMHQF-UHFFFAOYSA-N 479.603 2.409 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@@H](OCCC)CC1 1740956760 PKILCAIDSVIGAE-HXUWFJFHSA-N 465.562 2.009 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1740994454 OJAYQMLKRIXBNE-UHFFFAOYSA-N 493.659 2.318 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cn4ccccc4n3)n2C[C@](C)(O)[C@@H](C)CC)CC1 1749017245 YEHHPYXFNHLRGM-SIBVEZHUSA-N 477.613 2.280 30 10 JEEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1749049669 NVNONQWNANGBQA-MDPIYQRISA-N 450.605 2.143 30 10 JEEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CCC(C(=O)NCCCOCC)CC1 1749096406 LJHYAHZTOPQSKN-UHFFFAOYSA-N 480.411 2.346 30 10 JEEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 1749097645 GGJGVEHKAABGOW-CHWSQXEVSA-N 466.340 2.222 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCCC[C@@H](SCC)C1 1749657627 CRTZDJZEMQPWPU-LJQANCHMSA-N 467.603 2.335 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1749659153 WDLZXBFNWDVMRV-KRWDZBQOSA-N 474.631 2.015 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@@H](OCC(C)C)C1 1749666655 PEZJVAHTPBRGHM-GOSISDBHSA-N 479.585 2.228 30 10 JEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1749676046 BXDLPSRTHHRBHY-UHFFFAOYSA-N 471.631 2.165 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCO[C@@H](CC)C1 1749726172 YXLGERNJRRUNGH-KRWDZBQOSA-N 450.561 2.178 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1749736258 HIFORRVAWVHRSE-SFHVURJKSA-N 461.588 2.055 30 10 JEEE CC(C)C(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(F)(F)F)CC1 1750572348 DAHJBLQNZBWAMB-UHFFFAOYSA-N 479.507 2.185 30 10 JEEE C[C@H]1CN(C(C)(C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCNC(=O)CC2)C[C@H](C)O1 1752268197 BLVUPJXMUPSDHE-ROUUACIJSA-N 451.575 2.031 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2CCC(=O)NC(C)(C)C)c1 1760126224 RQYDXTHUUJTHTD-UHFFFAOYSA-N 460.542 2.096 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2CCCc2cnn(C)n2)c1 1760127501 ARVASLZYUKANQO-UHFFFAOYSA-N 469.553 2.081 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@]2(O)CCCC2(C)C)c1 1760128428 HTWCMFDBUSRCEC-UQBPGWFLSA-N 499.637 2.178 30 10 JEEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1760181278 RTDZNHUJUWTLSN-GBXCKJPGSA-N 488.610 2.002 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@](C)(O)C(C)C)[C@H]1CCS(=O)(=O)C1 1760182985 NTHNTOADCNLJFD-GBXCKJPGSA-N 487.626 2.181 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1ccc(OCC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1760186800 ASTUKXMBYONLLR-FQEVSTJZSA-N 481.578 2.422 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ccsc1Br)[C@@H]1CCS(=O)(=O)C1 1760188066 GZKLAOFCHABZOQ-CQSZACIVSA-N 493.412 2.234 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1cccc(N(C)C)c1)[C@H]1CCS(=O)(=O)C1 1760189424 OZVXEMXLESVXDA-NRFANRHFSA-N 450.568 2.081 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCO[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1760191653 LFTFCLGXBILAQM-TYPHKJRUSA-N 483.594 2.171 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccnc3)n2CCc2c(OC)cc(OC)cc2OC)CC1 1760257652 CULHJBHKNRTIMR-UHFFFAOYSA-N 462.554 2.364 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(c2nc(C)no2)CC1 1760272688 RYZREDQXUVMNAD-UHFFFAOYSA-N 452.544 2.367 30 10 JEEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](C(F)(F)F)C1 1760276187 WMCCWZFAOFPWEV-INIZCTEOSA-N 474.530 2.483 30 10 JEEE C#CCSCCn1c(CC2CC2)nnc1N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 1760283322 JNQFVCIAUXWZGF-UHFFFAOYSA-N 456.591 2.497 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)OCCOC)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1760289551 QEDMRMPPLDVTGT-AZXNSQLWSA-N 473.597 2.340 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H](C)O[C@H](CC)C1 1760515105 KWQAIOKZMZUKQY-UKRRQHHQSA-N 451.369 2.352 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CCC[C@H](C(=O)OC)C1 1760517672 UYEURBJQKLQHMQ-AWEZNQCLSA-N 492.374 2.408 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 1760525887 VNNONNMZMYCVEU-GOSISDBHSA-N 494.600 2.170 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](CN2CCC(C)CC2)C1 1760555547 HWPZCYHRJVDIRZ-NHCUHLMSSA-N 465.664 2.331 30 10 JEEE CC(C)CN1CCC[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@](C)(C#N)C2)C1 1761114768 CGMCFOOSIBHFMC-IPJJNNNSSA-N 465.668 2.386 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC(F)(F)F 1762289001 DXOCKIIUIABNQN-UHFFFAOYSA-N 450.469 2.352 30 10 JEEE COc1ccccc1OCc1nnc(N2CCC(CC#N)CC2)n1CCN1CCCS1(=O)=O 1768971827 HLAMUOZLRNJPRA-UHFFFAOYSA-N 474.587 2.031 30 10 JEEE COc1cc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCNC(C)=O)cc(OC)c1O 1862487667 GRAAOPXLJNTBAY-HXUWFJFHSA-N 454.479 2.432 30 10 JEEE Cc1nc(SCc2cc(=O)c(OCC(=O)N3CCOCC3)cn2CCN(C)C)c(C#N)c(C)c1C 1870310266 QLMNAWZNKJYLHM-UHFFFAOYSA-N 499.637 2.132 30 10 JEEE C=CCn1cc(OCC(=O)Nc2ccc3ccccc3c2)c(=O)cc1CN1CCN(CCO)CC1 1870394026 AOAIIWLSNBHLKY-UHFFFAOYSA-N 476.577 2.315 30 10 JEEE CCCCCCCCn1cc(OCc2n[nH]c(=N)s2)c(=O)cc1CN1CCN(CCO)CC1 1870577288 NDTSDRVLCFZGOS-UHFFFAOYSA-N 478.663 2.162 30 10 JEEE C=CCn1cc(OCc2cc([N+](=O)[O-])cc3c2OCOC3)c(=O)cc1CN1CCN(C)CC1 1870589466 CDYMOBZDLBNWFG-UHFFFAOYSA-N 456.499 2.135 30 10 JEEE C=CCn1c(C(=O)N2CCN(c3ccccc3OC)CC2)cc2c(N3CCOCC3)ncnc21 1873561124 GJXPZMWEDACKON-UHFFFAOYSA-N 462.554 2.425 30 10 JEEE CC(=O)Nc1ccc([N+](=O)[O-])c(C(=O)N2CCC(OCC#CCN3CCN(C(C)C)CC3)CC2)c1 1891262243 DUCGOYPZPLNEEA-UHFFFAOYSA-N 485.585 2.204 30 10 JEEE CC(C)(C)OC(=O)N[C@]1(C(=O)N[C@H](C(=O)O)C(C)(C)S)CCN(Cc2ccccc2)C1 2019071109 KXZAWRZTAOHDSZ-OPAMFIHVSA-N 451.589 2.434 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)NC[C@@H]1C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C1 2060126968 CKBINWYDCCXHQG-HZMVEIRTSA-N 454.568 2.354 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N[C@@]1(CO)CCN(C(=O)OC(C)(C)C)C1 2069749472 IZKCVQAYYRTKAJ-ZHRRBRCNSA-N 454.568 2.452 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1COC[C@H]1NC(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2255704084 CHKWZBCHQJUZST-DZGCQCFKSA-N 452.382 2.317 30 10 JEEE C[C@@H](CN(C)Cc1ccccc1)NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2255796136 LYXWXSHPHVRYTB-INIZCTEOSA-N 465.450 2.382 30 10 JEEE CC(C)(C)OC(=O)N[C@]1(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)CCOC1 2255831917 DXELTNJQAQDQDO-NRFANRHFSA-N 452.382 2.461 30 10 JEEE C=CCN(CC(=C)Br)S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC 2258158491 MJHTXPJSQWPOEL-INIZCTEOSA-N 475.361 2.181 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(I)c(N)c2)[C@H](C#N)C1 2264041352 ZBDVGFQMCAOIGR-GFCCVEGCSA-N 456.284 2.458 30 10 JEEE COC(=O)C1(Oc2nccc(B3OC(C)(C)C(C)(C)O3)c2F)CN(C(=O)OC(C)(C)C)C1 2266002824 YYLUYFWWTQKSFK-UHFFFAOYSA-N 452.288 2.061 30 10 JEEE COC1(CCNC(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2266991142 BUPADVVBJXKODN-UHFFFAOYSA-N 467.397 2.198 30 10 JEEE CC1(C)OB(c2cscc2S(=O)(=O)NC[C@H]2CCCN(C(=O)C(F)(F)F)C2)OC1(C)C 2267469304 SUHFTTFBNZCBIQ-GFCCVEGCSA-N 482.355 2.127 30 10 JEEE CN(Cc1ccccc1)[C@@H]1CCN(S(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2267709096 VWPKBIGPJICNFV-GOSISDBHSA-N 477.461 2.478 30 10 JEEE C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2sc(B3OC(C)(C)C(C)(C)O3)cc2C1 2268642824 HZIAFFGGQVXTKB-GUYCJALGSA-N 466.409 2.206 30 10 JEEE CC(C)(C)OC(=O)N[C@]1(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)CCC[C@@H]2C[C@@H]21 2268672576 UCLYISISSMGOAJ-RRMDADRESA-N 464.397 2.281 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](O)CN1C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2281995745 HAPBPAQKSLLVLW-HUUCEWRRSA-N 481.786 2.134 30 10 JEEE Cc1nc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2CO)c(B2OC(C)(C)C(C)(C)O2)s1 2282016858 COZNXKLRSXXWSV-HUUCEWRRSA-N 481.424 2.098 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@]23CCCN(C(=O)OC(C)(C)C)C[C@H]2C3)n1 2282037148 RMRRLUVBZYGZHZ-IQMFZBJNSA-N 460.384 2.239 30 10 JEEE Cn1cc(C(=O)N(CCNC(=O)OC(C)(C)C)CC(F)(F)F)nc1B1OC(C)(C)C(C)(C)O1 2282047801 CSFWKSLUNMQENW-UHFFFAOYSA-N 476.305 2.249 30 10 JEEE CC(C)(C)OC(=O)N[C@]1(CO)CCCN(C(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282664269 AOCDBZHJVSRYMJ-XMMPIXPASA-N 460.380 2.478 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H]1COC[C@H]1CNC(=O)OC(C)(C)C 2282695541 PHQQMMVHHCJWRL-WBVHZDCISA-N 463.384 2.077 30 10 JEEE CC(C)[C@@H](CN(C)Cc1ccccc1)NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282868965 VOZWVBZFJYHOIC-HXUWFJFHSA-N 476.452 2.154 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H]2CN(C(=O)c3nccnc3B3OC(C)(C)C(C)(C)O3)CC[C@@H]21 2283068885 MILAXBFVVFEUSG-CVEARBPZSA-N 458.368 2.247 30 10 JEEE C[C@H](NC(=O)CN1CC(NC(=O)OC(C)(C)C)C1)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2283953483 TWYOHXHNYURRDC-INIZCTEOSA-N 459.396 2.372 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1COC[C@H]1C(=O)N1CCc2cc(B3OC(C)(C)C(C)(C)O3)ccc21 2283973999 WXIMTOVJBNFTOJ-MSOLQXFVSA-N 458.364 2.415 30 10 JEEE CC(C)(C)OC(=O)NCc1cn(CCNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)nn1 2287190192 VRXUGXCZSHMTHP-UHFFFAOYSA-N 477.396 2.094 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CS(C)(=O)=O)C(=O)N1CC[C@](C)(B2OC(C)(C)C(C)(C)O2)C1 2319753800 MKLLGBDZSVHEEB-XOBRGWDASA-N 460.402 2.009 30 10 JEEE COc1cc(C=NNc2cnn([C@H]3CCS(=O)(=O)C3)c(=O)c2Cl)cc(Br)c1O 2322615625 GRLNCZAVEGRJOY-JTQLQIEISA-N 491.751 2.179 30 10 JEEE CCOc1cc(C=Nn2c(COc3ccccc3OC)nnc2SCC(N)=O)ccc1O 2328261602 PINUZEHMMMSUCT-UHFFFAOYSA-N 457.512 2.430 30 10 JEEE CN[C@H](C#Cc1cnn(CCOC)c1)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2340526265 UIEJASISXDVQOJ-PKTZIBPZSA-N 455.603 2.494 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2359271407 IGPNIXWTLXFMCL-UXLLHSPISA-N 458.368 2.294 30 10 JEEE 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)ncn1C 2362350674 UYZYVJSUWBCOMJ-PMPSAXMXSA-N 460.384 2.047 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C2)n1C 2362495190 UHVWHKRPUQDGGP-HOCLYGCPSA-N 462.400 2.403 30 10 JEEE Cc1cc(CN=c2nc(CNC(=O)OC(C)(C)C)[nH]n2C)ccc1B1OC(C)(C)C(C)(C)O1 2369691025 MGSYZRYYWLWMRN-UHFFFAOYSA-N 457.384 2.481 30 10 JEEE Cc1ccc([C@@H]2/C(=C(/O)c3ccc(S(=O)(=O)N(C)C)cc3)C(=O)C(=O)N2CCN(C)C)cc1 102501912 QGJQFCZJBLRZLP-SADKCHQCSA-N 471.579 2.229 30 10 JEEE C=CCNC(=O)CN1CCN(C(=O)Cc2cc(OCC)c(OCC)cc2Br)CC1 105265676 CFXMUNQXKHQHCT-UHFFFAOYSA-N 468.392 2.235 30 10 JEEE C=CCOc1ccccc1OCC(=O)NCCc1ccc(S(=O)(=O)N2CCOCC2)cc1 170524248 PZPUDWGHRYUBSE-UHFFFAOYSA-N 460.552 2.010 30 10 JEEE CCOC(=O)[C@@H]1CCCN(c2nc(O)c3c(n2)NC(=O)[C@@H](C#N)[C@@H]3c2ccc([N+](=O)[O-])cc2)C1 256033317 ONNDABIMKXGXCE-KBMXLJTQSA-N 466.454 2.094 30 10 JEEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2csc(-c3ccc(Br)cc3)n2)CC1 507493264 KHHXLDUGEQYGQX-UHFFFAOYSA-N 485.429 2.181 30 10 JEEE COc1ccc(N2NOC(=O)/C2=C\C(=NC(=O)c2ccccc2)C(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 585673605 JXQFMGVDTMHNDC-WEALODJHSA-N 478.505 2.279 30 10 JEEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NC1CCN(C(=O)CC(F)(F)F)CC1 726948160 KNJIACYVVYHQGT-UHFFFAOYSA-N 488.532 2.345 30 10 JEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccc(C(C)C)cc1 729668277 FIHKLMJRKZTXLS-UHFFFAOYSA-N 469.570 2.475 30 10 JEEE CC#CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](CC(=O)OC)C(=O)O 757206020 CRUNQKCYINIPJE-FGZHOGPDSA-N 478.501 2.440 30 10 JEEE CC(C)(C)N1C[C@H](C(=O)[C@H](C#N)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)CC1=O 916948832 IDDKKQVQJRMGDN-APWZRJJASA-N 474.583 2.156 30 10 JEEE N#C[C@H](C(=O)Cn1cc(Br)cn1)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 916951989 BSFFVGBBEXCBOC-QGZVFWFLSA-N 494.371 2.168 30 10 JEEE COCCn1cc(C=NNc2nnc(SCC(=O)Nc3cc(Cl)ccc3Cl)n2N)cn1 1083969226 BIQYYEQHCGEBLX-UHFFFAOYSA-N 484.373 2.318 30 10 JEEE C=CCn1cc(C=NNc2nc(SCC(=O)Nc3nnc(SCOCC)s3)n[nH]2)cn1 1084115673 NJKROJGHGRJAQM-UHFFFAOYSA-N 480.605 2.302 30 10 JEEE COc1ccc(O)c(C=NNc2nnc(SCC(=O)c3ccc(OC)c(OC)c3)n2N)c1 1084425030 JPFDHGPUZFGGRG-UHFFFAOYSA-N 458.500 2.144 30 10 JEEE COc1cccc(C(C)=NNc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2N)c1 1084578343 RTVLUAVORDCGRS-UHFFFAOYSA-N 456.488 2.476 30 10 JEEE C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)N(C)CCCc3[nH]nc(N)c3C#N)cc2)C1 1151151011 CYWZFYUUFNBXAT-IYBDPMFKSA-N 458.588 2.235 30 10 JEEE C#CCN(Cc1ccccc1)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 1202309526 KHWWFCVXOHNSQM-UHFFFAOYSA-N 456.568 2.441 30 10 JEEE CCOc1ccnc(N2CCCN(C(=O)Nc3ccc(S(=O)(=O)[C@@H](C)C#N)cc3)CC2)n1 1216704921 HKGZSSBNAIBYSK-INIZCTEOSA-N 458.544 2.305 30 10 JEEE C#CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCO[C@H](COC(C)C)C1 1286318828 YXPRZGQQFOUAAH-NRFANRHFSA-N 450.547 2.355 30 10 JEEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 1286359116 WTUKLFOTAPPVRK-FPOVZHCZSA-N 451.571 2.439 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1Cc1ccco1)[C@H]1CCS(=O)(=O)C1 1286383838 ZZCNSOKFSXCKAF-IBGZPJMESA-N 467.551 2.415 30 10 JEEE C#CCN(c1nnc(CCCc2ccccc2)n1CCn1cc(C)cn1)[C@@H]1CCS(=O)(=O)C1 1286390434 AUBKAFANECNOAG-JOCHJYFZSA-N 466.611 2.285 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(Br)cc2)n1CCC(=O)N1CCOCC1 1286422072 VIWRQGNQUVOZSR-UHFFFAOYSA-N 470.371 2.419 30 10 JEEE C#CCN(CC)c1nnc(COc2cccc(C)c2)n1CCS(=O)(=O)N1CCSCC1 1286450932 ODIQTVMWSFWPCZ-UHFFFAOYSA-N 463.629 2.004 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](OC)C(C)C 1286468142 ZLSLJTCCKXZWJU-RTBURBONSA-N 465.595 2.344 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H](NC(=O)OC(C)(C)C)C(C)C)CC1 1286494949 WHKPAFCCCKDPCV-UXHICEINSA-N 488.633 2.297 30 10 JEEE C#CCSCCn1c(N(C)[C@H]2CCCN(c3cccnn3)C2)nnc1[C@@]1(OCC)CCOC1 1286510571 XEVYZRGNZQRDCL-WMZHIEFXSA-N 471.631 2.192 30 10 JEEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CC[C@@H](CN2CCOCC2)C1 1286535649 JPKQEVZCQNJDAF-IRXDYDNUSA-N 458.401 2.069 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCN(CCC)C(=O)C1 1286563268 OQZXHQOAGAQCDX-WAGURGNTSA-N 461.607 2.432 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(N(C)C)cc1C 1286582125 RJGADBUASQBMHD-OAQYLSRUSA-N 476.647 2.436 30 10 JEEE C=C(C)COCCn1c(-c2ccccn2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1286605070 HBFFXWGXUVUGSM-NRFANRHFSA-N 467.618 2.456 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1286672850 QVUJBYYREYOJKQ-CEXWTWQISA-N 481.663 2.150 30 10 JEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2ccccc2Cl)C1 1286776297 QHUMYBDJSYQSAA-ROUUACIJSA-N 467.979 2.028 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl 1286793630 IDIVWJVIZIUJLF-MVWRLGRASA-N 458.390 2.324 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](C(F)F)C1 1286815501 WHULVQAZWZWNEH-MRXNPFEDSA-N 488.582 2.431 30 10 JEEE CC(C)C(=O)NCCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(N2CCOCC2)CCSC1 1287133765 GMDIAHIECPIQEX-RUZDIDTESA-N 497.669 2.233 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@H]1CCCCN1C1CC1 1288775042 BNGAPRDLWFFKMG-LAUBAEHRSA-N 471.631 2.413 30 10 JEEE C[C@@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCCC1(C)C 1291193361 ABBYHXIZLCHBQT-OSPHWJPCSA-N 452.559 2.337 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC(C)(C)c1ccccc1F)[C@H]1CCS(=O)(=O)C1 1300479124 ITPRJVWOYLAXIZ-KRWDZBQOSA-N 475.590 2.160 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1ccc(CS(C)(=O)=O)cc1)[C@H]1CCS(=O)(=O)C1 1300495439 HPVZBRUJVAGMID-FQEVSTJZSA-N 492.667 2.086 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@H]1CC(F)(F)CO1)[C@H]1CCS(=O)(=O)C1 1300498056 GFNBULXCJMXYHG-LSDHHAIUSA-N 486.491 2.198 30 10 JEEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCc1cnn(C)c1 1300577903 FEUSCBNPVFOTEV-UHFFFAOYSA-N 457.586 2.281 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2c(C)nn(C)c2C)CC1 1300731751 TZNCACUKUXWXSL-UHFFFAOYSA-N 486.580 2.093 30 10 JEEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 1300823402 GMIKICFVNNXDSI-UHFFFAOYSA-N 479.354 2.426 30 10 JEEE C=C(Br)Cn1c(COCC)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1300861441 IVEYVAKEOVMXOH-MAUKXSAKSA-N 469.428 2.102 30 10 JEEE C=C(C)COCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(CC(N)=O)CC1 1300988604 HOTMRUAXPFCMSX-UHFFFAOYSA-N 468.606 2.137 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCc2nn(C)c(=O)cc2C1 1301001934 QATNXNFRSDSFRH-WIYYLYMNSA-N 456.591 2.446 30 10 JEEE C=CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1301196864 KXBJUTNJAKLIJP-SFHVURJKSA-N 457.966 2.384 30 10 JEEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)[C@H]1C[C@H](OCC)C1(C)C 1301496693 FONWBANROHRKKU-ROUUACIJSA-N 489.646 2.180 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(F)(F)CC1 1301584766 DFUFHPKYOLMOFF-UHFFFAOYSA-N 464.498 2.430 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1301586308 KHBNDKTXOWRKNN-QGZVFWFLSA-N 458.506 2.432 30 10 JEEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](F)C2)CC1=O 1301927280 AUCYAFPAWMBPON-MOPGFXCFSA-N 456.522 2.162 30 10 JEEE CC(C)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)N2CCOCC2)CC1 1303309963 BHSPHKQMCJNEMZ-NRFANRHFSA-N 467.618 2.370 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1Cc1cccc(Cl)c1 1303404804 CFXUERLRTPWBEY-MRXNPFEDSA-N 479.976 2.495 30 10 JEEE COc1ccc(C(=O)N2CCN(C(=O)Nc3cc(C)n(CCC#N)n3)CC2)c(OC)c1OC 1310498511 DAJMJBDYGCJNLT-UHFFFAOYSA-N 456.503 2.121 30 10 JEEE CCCN1CCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](COC)C1 1313451924 CFQWDCUCWDNVCK-UNMCSNQZSA-N 454.575 2.455 30 10 JEEE C=C(C)Cn1c(SCC(=O)N2CCCC[C@H]2CNS(C)(=O)=O)nnc1-c1ccco1 1357890338 QIWFOZNRWKMPAI-HNNXBMFYSA-N 453.590 2.137 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2cc(C)nn2C)c1 1358901694 UCGUARPQVHSANC-AREMUKBSSA-N 491.596 2.465 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2CC[C@@H]2COCCO2)c1 1358901799 XEYSMAOICGJAIK-GJZUVCINSA-N 497.596 2.180 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCC[C@@H]1CC)[C@@H]1CCS(=O)(=O)C1 1358955243 IGBMGBNWYGGNGC-GBESFXJTSA-N 470.599 2.378 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1CC1(C(=O)NCC)CCC1 1359025571 SQAADHOOXFQCAL-HXUWFJFHSA-N 453.543 2.183 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2Cc2ccc(C[S@](C)=O)cc2)CC1 1359044737 NEXFWQHGAMVYMI-JXNPFXPLSA-N 483.638 2.412 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1(C(N)=O)CCOCC1 1359074935 XISQSWFTFQKTKE-NXMSCROESA-N 486.617 2.323 30 10 JEEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1359183678 QZGJWBVIUZEPLZ-SFHVURJKSA-N 480.573 2.294 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCS(=O)(=O)C1 1359275040 IYBJPAIBGZLKAJ-SFTDATJTSA-N 492.667 2.240 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@](C)(O)C2CC2)C1 1359314887 JNXFUXUXWUEHDE-CVDCTZTESA-N 475.615 2.138 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc3ccccc3o2)nnc1N1CCC[C@H](CC(N)=O)C1 1359328585 IZPMDEOQLPYIFL-MRXNPFEDSA-N 457.556 2.384 30 10 JEEE COCCn1cc(Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CCO[C@H](C#N)C2)cn1 1504896461 DEBOXZHHLNFMEL-OXQOHEQNSA-N 455.494 2.177 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CCCNc2ccccn2)c1 1507550218 IBABMMGMOUVYIA-HXUWFJFHSA-N 472.553 2.183 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1cccc(NC(=O)[C@@H]2CCCO2)c1)[C@H]1CCS(=O)(=O)C1 1507623725 WFBLBPOGSYIZKL-SFTDATJTSA-N 499.637 2.368 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1507626156 NAGSFWWQCNJWCM-HZPDHXFCSA-N 482.404 2.232 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1ccc(OC)c(OCC)c1)[C@H]1CCS(=O)(=O)C1 1507630701 FVYJLRCWXVRABS-SFHVURJKSA-N 469.567 2.356 30 10 JEEE C#CCN(c1nnc(C2CCC2)n1C[C@@H]1CCN(CC(F)(F)F)C1)[C@@H]1CCS(=O)(=O)C1 1507633907 VMWPJQMMFWQIAN-NVXWUHKLSA-N 459.538 2.057 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccccc2OCC)n1C[C@H]1CCCS(=O)(=O)C1 1507656201 TWETVPDNFHILHO-LJQANCHMSA-N 456.568 2.153 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C 1507669627 OMZHTNIBOHNVCC-RBUKOAKNSA-N 477.631 2.192 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2Cc2cccc(C(=O)NCC)c2)CC1 1507736604 OKYYMKBVWKEZJZ-UHFFFAOYSA-N 459.554 2.037 30 10 JEEE C=C(Br)Cn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@H](NC(=O)CC)C1 1507781802 JKVIBAHCRKEXIE-CYBMUJFWSA-N 465.352 2.409 30 10 JEEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1507830721 UPULMOYGBAEENJ-IRXDYDNUSA-N 469.608 2.176 30 10 JEEE C=C(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 1507830955 QPNJFKJFAAXGTP-FQEVSTJZSA-N 465.595 2.461 30 10 JEEE C=C(C)COCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1507840980 SPDKRSCZKFLVJF-SFHVURJKSA-N 456.547 2.111 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(S(C)(=O)=O)CC1 1508072304 FJZIMCJROLLDQA-OAHLLOKOSA-N 482.006 2.387 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1508072451 JZGNZSMPGKNXMQ-UHFFFAOYSA-N 471.518 2.213 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCN([C@@H](C)c3nc(CC)no3)CC2)nnc1C(C)(C)C 1508147710 BLIUQPGBOMZUOM-INIZCTEOSA-N 465.624 2.005 30 10 JEEE Cc1cc(C)n(CCCn2c(-c3ccc(C#N)cc3)nnc2N2CCC(OCC(N)=O)CC2)n1 1511722811 FJEPCLZAHYJMHV-UHFFFAOYSA-N 462.558 2.191 30 10 JEEE CCCNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(=O)OC)C1 1515077151 AHLGNIBEEGKWNM-GOSISDBHSA-N 454.531 2.034 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)C)n2C[C@H]2CCCS(=O)(=O)C2)c1 1539042217 CTDNVNLAPQBNLS-LJQANCHMSA-N 457.600 2.358 30 10 JEEE C#CCCCCn1c(-c2cnccn2)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 1539067174 AESGBSOGJXQDFB-UHFFFAOYSA-N 465.583 2.440 30 10 JEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2cccc(Cl)c2)CC1 1539125679 PHZMZAKPNNBJEE-SFHVURJKSA-N 476.002 2.209 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1Cc1oc(CC)nc1C)[C@H]1CCS(=O)(=O)C1 1539229761 HZWKZUCSXFFNLA-IBGZPJMESA-N 494.577 2.263 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ccccc2OC)CC1 1539890444 OMXPXKAVKHLYFQ-NRFANRHFSA-N 475.615 2.265 30 10 JEEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 1539981277 FEULIIMDWIBWHD-CVEARBPZSA-N 456.613 2.348 30 10 JEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1540004649 DADUNFGUCGPILF-RTWAWAEBSA-N 486.598 2.027 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC(=O)N1CCOCC1 1540177529 QQAMRRRAZZAIRV-SFHVURJKSA-N 460.579 2.387 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1540863652 AAIOYSWQFMSSJA-INIZCTEOSA-N 482.404 2.023 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](c2ccc(Cl)cc2)C1 1540897546 MATWMMKRMYVTLR-GOSISDBHSA-N 482.006 2.248 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CC[C@@](O)(c2ccccc2F)C1 1540902327 HFRKNSBHDTXDME-UGKGYDQZSA-N 464.563 2.358 30 10 JEEE CC(C)(C)S(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@@](F)(C#N)C1 1541232317 GSFUVRCJZHZDIQ-LAUBAEHRSA-N 463.535 2.446 30 10 JEEE Cc1cc(C(=O)NC2CCN(c3nnc(-c4cccc(C#N)c4)n3C[C@H](C)N(C)C)CC2)no1 1542136440 IFIQQXSZCYSIRS-INIZCTEOSA-N 462.558 2.462 30 10 JEEE Cc1nn(C)c(C)c1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CC(=O)NC(C)C 1542996620 FJVIQYMDHYUASW-UHFFFAOYSA-N 450.547 2.088 30 10 JEEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccc(N3CCOCC3)cc2C(=O)OC)c1 1543048529 PGNYKCKGSNEGEC-UHFFFAOYSA-N 456.520 2.359 30 10 JEEE CSCc1cccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)c1 1555889633 CVURCAXHILZCKX-LIRRHRJNSA-N 452.581 2.242 30 10 JEEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1587702580 ZMLXFJCRSPGHFL-SFHVURJKSA-N 475.557 2.127 30 10 JEEE C#CCCCn1c(-c2ccc(Br)cc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1587823741 WYROULJFTFSKFW-UHFFFAOYSA-N 487.402 2.294 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Br)n1CCC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1588045721 PKAWNEUFKOCRHV-OAHLLOKOSA-N 481.416 2.495 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CCc2ccccc2OC)CC1 1588954387 GUJHJCYKRDAPAC-UHFFFAOYSA-N 458.566 2.481 30 10 JEEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)Cc1c(F)cccc1F 1589069898 OOMZWNNSJOOMFF-LJQANCHMSA-N 499.609 2.282 30 10 JEEE C=C(C)COCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1593752428 ISLAVEYFFJTMQU-NRFANRHFSA-N 457.550 2.428 30 10 JEEE C=C1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCOCCN(C)C)CC1 1594096888 JTNLMZLGIHXDHN-LJQANCHMSA-N 464.611 2.321 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1=CCCOC1 1595085428 VNVDYHYCVKOXDL-KRWDZBQOSA-N 456.572 2.299 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCN(C)c2ccccc2)C1 1595723434 WQJHQFGMGBGGFY-CTNGQTDRSA-N 459.616 2.488 30 10 JEEE C=CCS(=O)(=O)CCn1c(Nc2ccn(C)n2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1595831657 VJOYQUVUEGGHFC-GASCZTMLSA-N 465.580 2.127 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1csc(C(C)(C)C)n1 1596788756 CMZIHAKLABHZMH-UONOGXRCSA-N 453.638 2.481 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCc1cccc(F)c1 1608563053 GYZJHUWVTSDSSK-UHFFFAOYSA-N 462.533 2.391 30 10 JEEE C#CCN(C)CCCNC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 1628819628 DWJOSYRLTZRVES-UHFFFAOYSA-N 457.552 2.334 30 10 JEEE C=CCN(CCc1ccco1)CC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1 1653917094 YTIFEVASNIABTJ-UHFFFAOYSA-N 459.568 2.046 30 10 JEEE CC(C)(C)OC(=O)NCc1ccccc1CNC(=O)CNS(=O)(=O)c1cccc(C#N)c1 1654274229 FQCUZEJJIICGRX-UHFFFAOYSA-N 458.540 2.178 30 10 JEEE C#CCCCCn1c(COc2ccc(OC)cc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1689904082 JPOFYJPLXUBOGS-UHFFFAOYSA-N 482.585 2.243 30 10 JEEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 1689937040 MPMHABASMSTVMX-UHFFFAOYSA-N 478.576 2.453 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@@H]1CCOC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1689982095 HQUFMSPIWXKUEA-YSIASYRMSA-N 458.584 2.253 30 10 JEEE C#CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCC)[C@H]1CCS(=O)(=O)C1 1689998492 NLUXNMVKYCVASV-BBWFWOEESA-N 451.593 2.086 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCn2ccnc21 1690019130 BEOPEXUQNDNAHP-UXHICEINSA-N 479.585 2.433 30 10 JEEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(c2nccnc2C)CC1 1690159861 OWYPGMZELGIUIM-UHFFFAOYSA-N 497.650 2.140 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)C(C)C)CC1 1690236812 RHRLBNCERWWZIE-UYAOXDASSA-N 467.574 2.211 30 10 JEEE C=C(C)Cn1c(N2CCCN(S(=O)(=O)c3ccccc3)CC2)nnc1[C@@]1(OCC)CCOC1 1690297870 KBGPZJPHSZIMMC-HSZRJFAPSA-N 475.615 2.407 30 10 JEEE C=C(C)COCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1690303433 YKSKOYDHGXKOJH-WMZOPIPTSA-N 471.558 2.278 30 10 JEEE C=C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC2(N(C)C)CCOCC2)CC1 1690367500 QSRAEGMOLRPHTE-UHFFFAOYSA-N 488.658 2.463 30 10 JEEE C=CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1690632670 JSIYZXUGAMQUDW-NRFANRHFSA-N 455.563 2.271 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC(NC(=O)COC)CC1 1690664527 WMMQZUNFTAQDND-UHFFFAOYSA-N 481.384 2.286 30 10 JEEE CC(C)(C)C(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](N2CCCC2=O)C1 1691036423 GVZBEXFYAIJBOZ-IBGZPJMESA-N 479.585 2.092 30 10 JEEE C[C@@H]1COCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1693846124 DGXBBTHKSRPASU-LMNJBCLMSA-N 473.599 2.415 30 10 JEEE CC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CC2)C[C@@H](C)O1 1694965809 AAGMDGCDSSYNBD-AEFFLSMTSA-N 459.572 2.310 30 10 JEEE CNS(=O)(=O)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@](C)(C#N)C1 1697022011 BHWDUJLHUSDTPU-LJQANCHMSA-N 452.968 2.286 30 10 JEEE CS(=O)(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCC[C@H](O)C2)CC1 1698301420 BHRNLEIXAPCBMA-MOPGFXCFSA-N 473.599 2.293 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC[C@@H](C(F)F)N1CCOCC1 1705490607 NOCTTZLADOWNER-PXNSSMCTSA-N 499.566 2.489 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC[C@@H](C(F)F)N1CCOCC1 1705490608 NOCTTZLADOWNER-XLIONFOSSA-N 499.566 2.489 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H]1CCCN(CC(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1705564816 QLJFYKVYPLPWHA-IFMALSPDSA-N 470.643 2.335 30 10 JEEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1705727375 ZWFYBRGZGKUACK-BGYRXZFFSA-N 499.685 2.472 30 10 JEEE C=CCn1c(-c2ccc(Br)s2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1705887675 UTIFDIKWRNPQTM-NSHDSACASA-N 451.350 2.428 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(OC[C@H]2CCOC2)CC1 1705930975 AQWHQELBOGPZFJ-FQEVSTJZSA-N 485.610 2.439 30 10 JEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1705946486 JCOLHHFOKQVGCO-LSDHHAIUSA-N 467.583 2.172 30 10 JEEE Cc1ccc(SCc2nnc(N3CCO[C@H](C#N)C3)n2CC2(CS(C)(=O)=O)CC2)cc1 1707567296 GXDCJCXXFIRMLL-QGZVFWFLSA-N 461.613 2.432 30 10 JEEE N#C[C@@H]1CN(c2nnc(CSc3ccc(Cl)cc3)n2CC(=O)NCC(F)F)CCO1 1712885878 BGVYSGNQAVINKV-CYBMUJFWSA-N 456.906 2.334 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCSCCCO 1722282203 XSFSXIXSYJNKJW-HNNXBMFYSA-N 450.634 2.120 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CC(F)(F)Br)[C@H]1CCS(=O)(=O)C1 1722360365 UAIWFRHPAUKIJN-HNNXBMFYSA-N 484.326 2.431 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1ccc(C)cc1OCCOC)[C@@H]1CCS(=O)(=O)C1 1722362306 SRHMERWXYLJUKE-HXUWFJFHSA-N 483.594 2.282 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCc2ccc(OC)cc2OC)CC1 1722432915 IXNSAQVYQNYXSF-AREMUKBSSA-N 483.613 2.334 30 10 JEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@](O)(Cc2cccc(Cl)c2)C1 1722458457 JYYCHLLDHFSWEE-XMSQKQJNSA-N 460.003 2.433 30 10 JEEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)c1ccccc1F 1722462767 XWVTVMMBHNWKOR-LPHOPBHVSA-N 481.619 2.314 30 10 JEEE C=CCCOCCn1c(COc2ccc(Br)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1722626889 JJRSGIYDAXFWOQ-KRWDZBQOSA-N 491.390 2.426 30 10 JEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C(=O)N(C)c2ccccc2)C1 1722630161 WUYMHTQYPXBLNZ-UXHICEINSA-N 487.626 2.262 30 10 JEEE C=CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1722682614 WQSJRKWUIVWPNA-UHFFFAOYSA-N 474.635 2.363 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCC(N2CCCNC2=O)CC1 1722729741 VVWZCBSRNGWMBL-UHFFFAOYSA-N 486.642 2.162 30 10 JEEE COCCN(CCC#N)c1nnc([C@@H]2COc3ccccc3O2)n1CC1(N(C)C)CCOCC1 1730763106 CJMMTOKQCAHXEN-NRFANRHFSA-N 470.574 2.268 30 10 JEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(CC)Cc1cnn(C)c1 1740583076 UNKOXIXTYVMFAW-UHFFFAOYSA-N 455.588 2.369 30 10 JEEE C#CCN(c1nnc(C2CCC2)n1CCCN(C)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1740622249 BEZISWLAVPHYGS-SFHVURJKSA-N 465.620 2.429 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CCc1ccccc1F)[C@H]1CCS(=O)(=O)C1 1740625703 PCGVWYLCSIXQOO-FQEVSTJZSA-N 453.543 2.272 30 10 JEEE C#CCN(c1nnc(COc2ccccc2OCC)n1CC1=CCCOC1)[C@H]1CCS(=O)(=O)C1 1740628825 UXSFBSJPRQDFRN-FQEVSTJZSA-N 486.594 2.229 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCNC(=O)C1CC1 1740659835 VVCMTKDEWJLBBG-IBGZPJMESA-N 454.575 2.339 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC(=O)NCC1CC1 1740723363 OENIIUNBNMANEA-HSZRJFAPSA-N 454.962 2.380 30 10 JEEE C=C(Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C)c1ccccc1 1740796538 BNQQFNZRXIKSLU-FPOVZHCZSA-N 468.602 2.497 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccn2C)n1CC1(O)CCS(=O)(=O)CC1 1740915761 RNWZGFIVMQLJIZ-UHFFFAOYSA-N 485.610 2.425 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c(C)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1)C(C)C 1740924092 GECLYFMEEWQSMY-HUVFLSCGSA-N 457.667 2.274 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC[C@@H]2c2cnn(C)c2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740965815 SVALVALZNIKNRZ-NZSAHSFTSA-N 484.605 2.426 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@H](C)[C@@H]1CC 1740990030 GIZKIIZTPSHDIG-LPHOPBHVSA-N 470.599 2.418 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)Cc1cc(C)on1 1740990467 ASQGGEKMFOSGAU-UHFFFAOYSA-N 469.527 2.128 30 10 JEEE CC(=O)Nc1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)cn1 1741062645 BXVPWKIJQVGQFY-JKSUJKDBSA-N 481.582 2.476 30 10 JEEE C[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1)Oc1ccccc1F 1741854403 GBQAPHMQJIROJW-SIFCLUCFSA-N 451.499 2.229 30 10 JEEE C[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](CN2CCOCC2)C1)N(C)C 1741861916 BGTGFWKZUGRJMU-IFMALSPDSA-N 467.618 2.227 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccccc1OC)N1CCCC1 1748640428 VBGZGOMYSIHUJF-BJLQDIEVSA-N 474.631 2.192 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN(CCC)C(=O)OC(C)(C)C 1748672019 PJDZYANQFCQNCQ-DLBZAZTESA-N 453.609 2.285 30 10 JEEE COc1ccc(CCc2nnc(N3CCO[C@H](C#N)C3)n2CC2(C(=O)N(C)C)CCCC2)cc1 1748725396 AYTSILPRQRQLSS-OAQYLSRUSA-N 466.586 2.449 30 10 JEEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN([C@@H](C)c2nc(CC)no2)CC1 1748730524 NCZKDSNDRNTQAL-KRWDZBQOSA-N 463.546 2.167 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCc1c[nH]c2cccc(C)c12)[C@H]1CCS(=O)(=O)C1 1748801649 DDRUHIOHZHCVAX-IBGZPJMESA-N 482.610 2.075 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccncc1Cl)[C@H]1CCS(=O)(=O)C1 1748804451 IAGROGQNZKVXHR-AVRDEDQJSA-N 494.017 2.042 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCCc1c[nH]nc1C)[C@@H]1CCS(=O)(=O)C1 1748809766 VZSKZNNHZIDDCZ-HXUWFJFHSA-N 468.583 2.245 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1Cc1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1748809901 QKPUMPBNUYCYAX-KRWDZBQOSA-N 455.540 2.234 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(N2CCOCC2)cc1 1748868183 SSYLEVZCGDILSL-AREMUKBSSA-N 463.582 2.278 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC[S@](=O)CC 1748887006 PPOUHVZVHIIQQC-MGBGTMOVSA-N 464.595 2.297 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@H](CN2CCOCC2)C1 1749114688 FMMAQESGBLTVOQ-URVUXULASA-N 474.650 2.336 30 10 JEEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1749414250 CUULWLGAJDVAFG-SFHVURJKSA-N 458.588 2.355 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(Cc1cccc(F)c1)C[C@H]1CCCO1 1749663805 RDCMFCYUMXIYTP-HXUWFJFHSA-N 453.522 2.306 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN([C@H](C)c2ccsc2)CC1 1749733761 BPSBESBHCPRXJH-MSOLQXFVSA-N 465.645 2.328 30 10 JEEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](COCCOC)C1 1760154770 HZRQFQAPADIBHT-VQTJNVASSA-N 477.606 2.489 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@]1(O)CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1760189506 PSSPVWQZGZREPH-JPYJTQIMSA-N 457.600 2.216 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccc(OC)cc2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1760209534 DNKOKDXHFYKAHA-NZQKXSOJSA-N 497.621 2.143 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2CCCNC(=O)C(C)C)CC1 1760268256 OQTUFCSHLSFMKA-UHFFFAOYSA-N 466.586 2.082 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)CCS(=O)(=O)CC 1760336031 ULAWJYYENSABRM-OXJNMPFZSA-N 486.598 2.446 30 10 JEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCC[C@]3(CCOC3)O2)CC1 1760397691 ZRMIVTFGOQGQDI-DJPFJPOOSA-N 453.609 2.019 30 10 JEEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1760421862 CFOXDTHRKVQCJA-CABCVRRESA-N 452.547 2.317 30 10 JEEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCN1C[C@H](C)O[C@@H](C)C1 1760457152 IDBULIRASSJEBD-OALUTQOASA-N 476.647 2.317 30 10 JEEE C=CCn1c(Cc2ccccc2OC)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1760511235 REEGURLWZAKRCE-SIKLNZKXSA-N 452.603 2.442 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](c2ccccc2C)C1 1760554141 SNPSEPHDMDBOQH-FQEVSTJZSA-N 456.572 2.166 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](Cc2ccccc2)C1 1760555837 OVSKGSVZOOIOCS-LEWJYISDSA-N 460.600 2.221 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN(c2cc(F)ccc2F)CC1 1760557233 FFHTWARTCPTNGH-UHFFFAOYSA-N 451.543 2.436 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@H]1CCCS(=O)(=O)C1 1762235689 AIIYLXRIYYTQCZ-QGZVFWFLSA-N 450.609 2.151 30 10 JEEE C[C@@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@](C)(O)c1cccs1 1762697946 CVXQRLFBKRSWOS-WAIKUNEKSA-N 466.567 2.365 30 10 JEEE COc1ccccc1OC[C@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1 1768960691 BZXNBNVCYHRKBQ-YVHKJVDXSA-N 477.562 2.346 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)COc3cccnc3NC(=O)N3CCN(C)CC3)cc21 1858829151 GXWKTRYSFAEYGR-UHFFFAOYSA-N 465.510 2.034 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCCN2C(=O)c3ccccc3C2=O)cn1CCCO 1870378288 RLFIPIXPULVDHK-UHFFFAOYSA-N 451.523 2.080 30 10 JEEE C=CCN=c1nc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)[nH]c(=Nc2cc(OC)cc(OC)c2)[nH]1 1871689089 RAGBPWPAGIYLLX-UHFFFAOYSA-N 492.540 2.309 30 10 JEEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H]1C(=O)N1CCC(CN(C)c2ncccc2C#N)CC1 1891921430 DPZPCTVYKVIYHX-HXUWFJFHSA-N 486.598 2.086 30 10 JEEE N#Cc1nc(-c2cccs2)oc1N1CCC(C(=O)N2CCO[C@H](C(=O)N3CCCC3)C2)CC1 1892021656 WNNHRGJSIAURIN-SFHVURJKSA-N 469.567 2.341 30 10 JEEE CC(C)(C)OC(=O)NCC(CNC(=O)OC(C)(C)C)NS(=O)(=O)c1ccccc1C#N 2006286084 AWFNYQJHHFNVBT-UHFFFAOYSA-N 454.549 2.255 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CO)CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)s1 2247823545 PLMLDDVNIQQHHS-NSHDSACASA-N 460.789 2.316 30 10 JEEE C[C@@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)C1(O)CN(C(=O)OC(C)(C)C)C1 2255611279 SOJOKPUGHKBNAR-CYBMUJFWSA-N 452.382 2.147 30 10 JEEE CN(C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)[C@@H]1CC[C@@H]1NC(=O)OCc1ccccc1 2255643014 OJWPURBHGKCJOX-RBUKOAKNSA-N 466.347 2.305 30 10 JEEE CC(C)(C)OC(=O)N1CCC12CN(S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)C2 2255751837 DTMPVYXYDJBQMV-UHFFFAOYSA-N 470.422 2.431 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCOC[C@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2255876845 GIEGFRHYPCOUFJ-ZIAGYGMSSA-N 452.382 2.459 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@H](CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2255878439 YKSHUIOMHWDPGI-AWEZNQCLSA-N 452.382 2.413 30 10 JEEE CN(CCNC(=O)OC(C)(C)C)S(=O)(=O)Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2255933255 MHAHSNZFMDFHEA-UHFFFAOYSA-N 454.398 2.272 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H]1NS(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2255934225 ZFFXXQIDHCQILP-ZBFHGGJFSA-N 452.382 2.177 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1CCN1S(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2255950704 SDBQLTXRLMGWPY-HNNXBMFYSA-N 452.382 2.274 30 10 JEEE Cc1csc(CNC(=O)[C@@H](O)[C@H](C)NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2256624623 OFXJYFUJWWOFKK-BBRMVZONSA-N 454.398 2.246 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1COC[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1F 2266977287 XCWYTIDRYZUCQV-IRXDYDNUSA-N 450.316 2.147 30 10 JEEE C[C@@H](CNC(=O)OC(C)(C)C)NS(=O)(=O)c1c(F)cc(F)cc1B1OC(C)(C)C(C)(C)O1 2267411674 CECZXQAVBAFXQI-LBPRGKRZSA-N 476.351 2.456 30 10 JEEE CN(C[C@@H]1CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)CCO1)C(=O)OC(C)(C)C 2267554702 DJKBPXNAZRHDTJ-OAHLLOKOSA-N 450.341 2.287 30 10 JEEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)[C@@H]2C[C@H]21 2267711986 AYRZOMJYZPEJMR-QZTJIDSGSA-N 464.393 2.368 30 10 JEEE C=C(CS(=O)(=O)NC[C@]1(C)COCCN(C(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2267726006 IUEZXIFPKPYSIL-NRFANRHFSA-N 474.429 2.367 30 10 JEEE Cn1nc(C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)cc1NC(=O)OC(C)(C)C 2268650318 ORNNVDWZUZKNCM-UHFFFAOYSA-N 463.369 2.453 30 10 JEEE CCOC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCN1c1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2280769416 YEPARLWDEYUBRW-QGZVFWFLSA-N 461.368 2.370 30 10 JEEE Cc1cc(C(=O)N[C@H]2[C@H]3OCC[C@H]3[C@H]2NC(=O)OC(C)(C)C)oc1B1OC(C)(C)C(C)(C)O1 2281976131 XIWMVNDUGIZSBR-SVGFKBNWSA-N 462.352 2.298 30 10 JEEE CCc1nn(C)c(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)c1B1OC(C)(C)C(C)(C)O1 2281992707 QNAPAUZUVPVHHC-HNNXBMFYSA-N 462.400 2.363 30 10 JEEE COCCN(CCNC(=O)c1nccc(C)c1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2281996981 WFWXHPOXNUSFGR-UHFFFAOYSA-N 463.384 2.303 30 10 JEEE CC(C)(C)OC(=O)N1CC2(CC[C@H](CNC(=O)c3sncc3B3OC(C)(C)C(C)(C)O3)O2)C1 2282018687 ALPCKOJIXKUSPZ-CQSZACIVSA-N 479.408 2.341 30 10 JEEE CC1(C)OB(c2cccnc2C(=O)NCC[C@H]2CN(Cc3ccccc3)CCO2)OC1(C)C 2282185437 HENCZMIWQRZNKF-FQEVSTJZSA-N 451.376 2.402 30 10 JEEE Cc1ccc(S(=O)(=O)N(C)C[C@@H](O)COCc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)c1 2282320573 KJHSRZUGNLIJCR-HXUWFJFHSA-N 475.416 2.492 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 2282533241 IYWDGIWTXWVZIE-HOTGVXAUSA-N 460.384 2.048 30 10 JEEE C[C@H]1C[C@H](NC(=O)C(F)(F)F)CCN1C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2282534625 VPXVHIUQORJVNK-WCQYABFASA-N 459.249 2.192 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CC[C@H]3CC[C@H]2N3C(=O)OC(C)(C)C)n1 2282537969 YRMMIZQNIZOVKW-USXIJHARSA-N 460.384 2.380 30 10 JEEE Cn1cc(C(=O)N2C[C@H]3[C@@H](NC(=O)OC(C)(C)C)CC[C@H]3C2)c(B2OC(C)(C)C(C)(C)O2)n1 2282577734 ITJAWPYAOUNHEZ-UXLLHSPISA-N 460.384 2.095 30 10 JEEE Cn1nc(C(=O)N2C[C@@H]3CCC[C@@]3(NC(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2282615776 RWDBGSBSFYARHE-NPMXOYFQSA-N 460.384 2.239 30 10 JEEE CC(C)(C)OC(=O)N1[C@H](CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)C[C@@H]2OCC[C@@H]21 2282626833 JIIMBBKAQFADMT-ZOBUZTSGSA-N 462.352 2.476 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@@H]2NS(=O)(=O)c1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2282839786 AHZHMDSLVSOFIC-RPVQJOFSSA-N 482.383 2.411 30 10 JEEE CC(C)(C)OC(=O)N1CC([C@H](F)CNS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2282865851 ZMXOYSYWDAABFM-GOSISDBHSA-N 484.399 2.469 30 10 JEEE CC(C)(C)OC(=O)Nc1ccc(CNC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)cn1 2283072507 QDTNTZWPJVTBRA-UHFFFAOYSA-N 455.324 2.448 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]1C(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)ccc1F 2283981320 KZCHMVDQTBBLCZ-MSOLQXFVSA-N 464.343 2.423 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2COC[C@]2(C(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)C1 2284019611 ANZBLXWWAHZKHX-NPMXOYFQSA-N 459.352 2.203 30 10 JEEE Cc1nc(NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H]2CCCO2)ncc1B1OC(C)(C)C(C)(C)O1 2284043236 XHTLINUSVDAPFP-JKSUJKDBSA-N 462.356 2.095 30 10 JEEE CC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=NOCC(=O)N[C@@H](CO)C(=O)O)CC[C@]4(C)[C@@H]3CC[C@@]21C 2297639501 XPPSOAUERBQGOO-RBDPLECLSA-N 490.597 2.204 30 10 JEEE C=CCOc1ccccc1C=Nn1c(SCC(N)=O)nnc1[C@@H]1CC(=O)N(C(C)(C)C)C1 2327842616 QQUWPDCKJFUCIE-MRXNPFEDSA-N 456.572 2.417 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(C(=O)Nc3ccnc(B4OC(C)(C)C(C)(C)O4)c3)CO[C@@H]1C2 2359392373 JSHYPGCTNVGLSY-LNPFQXMTSA-N 459.352 2.392 30 10 JEEE C[C@H]1CN(C(=O)Cn2cnc3sccc3c2=O)/C(=N\c2cccc(S(=O)(=O)N(C)C)c2)S1 102335784 BRARAFCWADTYLO-STYUPYMXSA-N 491.620 2.360 30 10 JEEE C[C@H]1CN(C(=O)Cn2cnc3sccc3c2=O)C(=Nc2cccc(S(=O)(=O)N(C)C)c2)S1 254594338 BRARAFCWADTYLO-ZDUSSCGKSA-N 491.620 2.360 30 10 JEEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1 521103670 CGIUFCQYVIBLDI-UHFFFAOYSA-N 465.553 2.435 30 10 JEEE COC(=O)c1cccc(N2C(=O)C(Sc3nc(C)cc(C)c3C#N)=C(N3CCN(C)CC3)C2=O)c1 526696247 SXYZTQMHLOZQPC-UHFFFAOYSA-N 491.573 2.481 30 10 JEEE COCCN(CCOC)C1=C(Sc2nc(C)cc(C)n2)C(=O)N(c2ccccc2C#N)C1=O 526699230 CFSQLTGPHVJEQS-UHFFFAOYSA-N 467.551 2.437 30 10 JEEE C[C@@H](NS(=O)(=O)CCN1C(=O)c2ccccc2C1=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 704372613 KIGRSAGXRFLAPC-MRXNPFEDSA-N 484.383 2.262 30 10 JEEE C#CCN(C(=O)CSc1nnc(-c2ccco2)n1Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 729331250 KYLRMBUQXZGYPH-SFHVURJKSA-N 470.576 2.327 30 10 JEEE COc1ccc(CNC(=O)CSc2n[nH]c(NN=Cc3cc([N+](=O)[O-])ccc3O)n2)cc1 1084347549 ZJJCOMZUALZZID-UHFFFAOYSA-N 457.472 2.282 30 10 JEEE CN(C)CCNC(=O)c1cccc(CNC(=O)NCc2cn(C)nc2-c2ccc(C#N)cc2)c1 1226506530 DVEWMCBAFOKHAE-UHFFFAOYSA-N 459.554 2.250 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H](c1ccc(F)cc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1286387685 UCRZPSHFMQUAKJ-IRLDBZIGSA-N 484.601 2.352 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1CC(C)(C)N1CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1286398455 JRJLVGHUTZYUBS-SLFFLAALSA-N 463.648 2.267 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@H]1CCCCS1(=O)=O 1286404468 TXAZGAMONXAICF-LJQANCHMSA-N 456.568 2.393 30 10 JEEE C#CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1ncccc1C 1286460050 SZXMHXZFMWMLHX-UHFFFAOYSA-N 467.599 2.384 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2[C@H]2CCC[C@H](C(F)(F)F)C2)CC1 1286480371 MOGBOWFGDKKZHV-IKGGRYGDSA-N 459.538 2.229 30 10 JEEE C#CCSCCn1c(-c2ccc(OC)cc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1286500838 DYDRQZBJCPKURP-UHFFFAOYSA-N 463.629 2.180 30 10 JEEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1CCN(c2nc(C)cc(OCC)n2)CC1 1286503864 KXFHQYYPSYANNO-UHFFFAOYSA-N 452.588 2.463 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)cc2OC)n1CC1(C(N)=O)CCOCC1 1286520359 HMBWMGJCALLYQF-HSZRJFAPSA-N 453.543 2.237 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCOc2ccc(Cl)cn2)CC1 1286664292 VWJUBGZYGURDIB-SFHVURJKSA-N 497.021 2.141 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1286672135 HJXVSOXTYBSXEM-NHCUHLMSSA-N 478.707 2.387 30 10 JEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(=O)CC2CCCC2)CC1 1286692990 KWXCXJARLIKPQU-SFHVURJKSA-N 466.652 2.474 30 10 JEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1OC(F)(F)F 1286727671 WVIXYXGDWHYREQ-MRXNPFEDSA-N 475.493 2.180 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1286792423 XKLTUSXEIXEMDM-YADARESESA-N 455.559 2.242 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)c2nc(C)cs2)C1 1286800728 PTESPTDVHUYHIA-VNQPRFMTSA-N 454.622 2.238 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](COC)C1 1286824748 HWQLABSHTOJFHZ-MSOLQXFVSA-N 483.635 2.424 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCc1sc(C)nc1C)[C@@H]1CCS(=O)(=O)C1 1300496604 SLXKBHOLNPYECA-MSOLQXFVSA-N 463.629 2.462 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H](C(CC)CC)N(C)C)[C@@H]1CCS(=O)(=O)C1 1300504255 KXBAMPBYWQYRLI-VAMGGRTRSA-N 451.637 2.123 30 10 JEEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1300625073 BXVKWLACTQUZFV-NHCUHLMSSA-N 466.634 2.411 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCO[C@H](C)C1 1300663700 HKAXFYCVHXFBAE-QZTJIDSGSA-N 450.543 2.093 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2CCCS(=O)(=O)Cc2ccccc2)CC1 1300700467 QLMXVRFNMSQYEE-JOCHJYFZSA-N 471.627 2.280 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@]2(OC)CCOC2)CC1 1300731799 VNGGSLDOKVBCLE-AREMUKBSSA-N 481.597 2.245 30 10 JEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2cccc(OC)c2)C1 1300768451 RKGJVXLYPWHMAV-FQEVSTJZSA-N 455.584 2.353 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(N(C)c2ccccc2)CC1 1300952447 WBUKRONVDIIKDI-OAQYLSRUSA-N 474.631 2.292 30 10 JEEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](c2ccc(F)cc2)C1 1300991588 VJTMKMFHLIQYIB-TZIWHRDSSA-N 493.605 2.337 30 10 JEEE C=CCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1301176363 XQLMHVSEXJMQGH-UHFFFAOYSA-N 467.530 2.137 30 10 JEEE C=CCCOCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1301239725 RYYXGVURFUWDML-QHCPKHFHSA-N 472.977 2.313 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCCN(CCC)C(=O)C1 1301496852 IQNZTEGISZBPDP-UHFFFAOYSA-N 463.542 2.351 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2CCS(=O)(=O)Cc2ccccc2)C1 1301554242 DHLFTKKOGXQAHR-LJQANCHMSA-N 454.556 2.131 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)[C@@H](C)CC(N)=O 1301576523 WJOJGOWKQILMSJ-GJZGRUSLSA-N 465.645 2.432 30 10 JEEE N#Cc1ccc(OCc2nnc(N3CCC[C@H](N4CCCS4(=O)=O)C3)n2CC(F)(F)F)cc1 1302993563 DTMYJWRSVANGIX-INIZCTEOSA-N 484.504 2.295 30 10 JEEE C=CC[C@H]1CCCC[C@@H]1NCC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 1307923802 KBAFZQPGFKQWOB-PXNSSMCTSA-N 450.561 2.152 30 10 JEEE CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@](C)(O)c2cccs2)CC1 1313990000 FIZUWXYPTACOND-XMMPIXPASA-N 479.610 2.044 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)CN2C(=O)N[C@](C)(CC)C2=O)c(C(=O)OCC)c1C 1352312757 WUPSQGJWFXSVSP-HXUWFJFHSA-N 451.501 2.235 30 10 JEEE C#CCN(c1nnc(COCC)n1CC(C)(C)c1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1358967133 DXYWCRUTWDPREN-LJQANCHMSA-N 460.600 2.428 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CC(=O)N1CCOCC1 1359019226 NLXHAELNRQUKAO-UHFFFAOYSA-N 476.581 2.297 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CCC(=O)NC(C)C)CC1 1359033117 QIYDREGFFWVGCA-UHFFFAOYSA-N 468.602 2.411 30 10 JEEE C=C(C)COCCn1c(Cc2ccc(F)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1359133874 CIYFYIUAKOUJKO-LJQANCHMSA-N 456.522 2.073 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1359296596 OHIPNORLBIIAHV-RBUKOAKNSA-N 482.585 2.292 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCC(OC(C)(C)C)CC1 1359331157 OWNPPMCKQOLPLN-UHFFFAOYSA-N 479.603 2.391 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1359331778 HZMGSFUYYZNMAM-UHFFFAOYSA-N 464.680 2.141 30 10 JEEE C=CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1359339202 WZASMTYBGPXFDN-UHFFFAOYSA-N 479.610 2.007 30 10 JEEE Cc1nc(C)c(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CC(=O)N2CCOCC2)s1 1492658302 AMHNOYBFTLOVGK-UHFFFAOYSA-N 451.556 2.233 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2Cc2cccnc2OCC)c1 1507546762 IBTKCBNFCMUWKG-UHFFFAOYSA-N 487.564 2.412 30 10 JEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1ccc(CSC)cc1)[C@H]1CCS(=O)(=O)C1 1507623060 QIEZCPVFKORNPT-FQEVSTJZSA-N 487.651 2.052 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1ccc(N(C)C)c(F)c1)[C@H]1CCS(=O)(=O)C1 1507634938 OJRLWAMDMSDJIS-FQEVSTJZSA-N 482.585 2.144 30 10 JEEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1CCC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1507640156 PYDZARMAZISUJV-GOSISDBHSA-N 479.002 2.442 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(C)n2)n1CC(=O)N1CCN(c2ccccc2)CC1 1507648572 PGKWMXZFWULROF-UHFFFAOYSA-N 453.550 2.070 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCn1cncn1 1507669815 SBBJAWYLUNIXNX-IBGZPJMESA-N 452.563 2.147 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC(C)(C)OC)CC1 1507733505 BAZUVORFYVKSCR-UHFFFAOYSA-N 487.004 2.252 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2Cc2ccccc2CN2CCC(O)CC2)CC1 1507742281 FRNFKNDFVPOXPX-UHFFFAOYSA-N 492.668 2.447 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(CCS(C)(=O)=O)C1CC1 1507808593 RDSLJQGQJFDZIJ-GHTZIAJQSA-N 462.620 2.134 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC(=O)N1CCOCC1 1507816906 OXGHJTAVZUXMLX-UHFFFAOYSA-N 479.585 2.326 30 10 JEEE C=CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC(C)(OC)C1 1508151302 WXWAAYJHESLVNR-UHFFFAOYSA-N 451.618 2.340 30 10 JEEE CCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1514260237 BTSPEDFKINOLRC-CLOONOSVSA-N 467.618 2.405 30 10 JEEE C#CCNC(=O)C1CCN(C(=O)c2ccc(OCC(=O)N3CCCCC3)c(OCC)c2)CC1 1524474162 ADBDDXVCRAAIEH-UHFFFAOYSA-N 455.555 2.078 30 10 JEEE C=CCn1cc(CNC(=O)C2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)nn1 1526049950 RTYSJTYOEGOWQA-UHFFFAOYSA-N 457.478 2.200 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCn1cc(Cl)cn1 1539268112 FSINBNBGSIXGLR-GOSISDBHSA-N 473.965 2.209 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H](c2ccco2)N(CC)CC)CC1 1539482172 RMKORBPMWYUENU-NHCUHLMSSA-N 468.602 2.424 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2C[C@@](C)(O)c2ccco2)CC1 1539483374 YLNMASSSQBXIEY-RUZDIDTESA-N 465.529 2.475 30 10 JEEE C=C(Br)Cn1c(-c2cccnc2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1539592564 GXSLEQBOAXJKTN-UHFFFAOYSA-N 474.407 2.383 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1539622348 WNQYHDOAMVMZHI-OFNKIYASSA-N 497.600 2.481 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1539624279 RLYRFZIFQLEUHR-APWZRJJASA-N 481.022 2.493 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CC[C@](C)(C(=O)NC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1539642527 QTBWCMUCAYECKJ-RJADORODSA-N 461.607 2.262 30 10 JEEE C=C(C)COCCn1c(N2CCC(N3CCCNC3=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1539758848 AVACCKGEYKNTLX-XMMPIXPASA-N 476.622 2.296 30 10 JEEE C=CCN(c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)NCC1CC1)C1CC1 1540108555 JTDMTKLDFBKWRI-SFHVURJKSA-N 460.579 2.268 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1cccc(F)c1)N(C)C)C1CC1 1540109589 RRJXXPQAYHHYEK-RTWAWAEBSA-N 492.621 2.208 30 10 JEEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCC(CC(=O)N2CCN(CC)CC2)CC1 1540859860 OWTNYZUISNFHOG-UHFFFAOYSA-N 485.658 2.226 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC(C)(C)OC)C1 1540885663 NGJORAJFHAJSID-SFHVURJKSA-N 463.604 2.402 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1540898595 OXRBRUJZJQGLQJ-NRFANRHFSA-N 493.077 2.416 30 10 JEEE CCNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1547741577 ABZQOHJEQOKRFH-CVEARBPZSA-N 460.604 2.237 30 10 JEEE COCCNC(=O)[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CCN1C(=O)NCC(C)C 1548372642 PUOYPMCLJFMDHF-SFHVURJKSA-N 455.481 2.196 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC=C(c2ccc(O)cc2)CC1 1587862356 VRDLHIVPKXGVJS-OAQYLSRUSA-N 471.583 2.024 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CC(F)(F)CO1 1588138299 BZJKSQGSJWCZIR-SJORKVTESA-N 465.501 2.084 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N1CCC(C(=O)NCCOC)CC1 1589557410 HTLVXHGKVZUXRW-JTHBVZDNSA-N 468.602 2.224 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCCN2CCC[C@H](C)C2)CC1 1594097763 YEHDLUYMAGXHCM-LEWJYISDSA-N 480.679 2.280 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cnn(C)c1C 1595127404 OEZJHXHUYJQYRI-HNNXBMFYSA-N 461.567 2.310 30 10 JEEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1595314047 DMMBKBLUABRHJQ-LJQANCHMSA-N 455.950 2.458 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1595523532 XOOVDQIJCANEBJ-DLBZAZTESA-N 455.563 2.382 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CC[C@](O)(c2ccc(F)cc2)C1 1595789259 QABGNVLABVLPNL-HSZRJFAPSA-N 471.558 2.486 30 10 JEEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(N(C)C)CCOCC2)C[C@@H](C)O1 1612977269 CGMHJPPQDLOMSZ-KDURUIRLSA-N 454.575 2.453 30 10 JEEE COc1cc(OC)c2c(c1Cl)O[C@@]1(C(=O)/C(=C\NCCNc3ncccn3)C(=O)C[C@@H]1C)C2=O 1615248061 UGJVQIMIWDAHEF-KBOGDBDGSA-N 486.912 2.225 30 10 JEEE CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](CC(C)C)N(C)C)CC1 1615938197 BITSFSBFKLNIIJ-JOCHJYFZSA-N 466.634 2.051 30 10 JEEE CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@@H]2CCO[C@@H](C)C2)CC1 1615938449 GWWDPSNSOMLSPP-VQTJNVASSA-N 465.602 2.280 30 10 JEEE CCOc1ccccc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(C#N)C1 1616453133 DFSJTQXWDVTZJK-REWPJTCUSA-N 488.614 2.188 30 10 JEEE C#CCOc1ccc(F)cc1NC(=O)N(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 1623168847 ARDZDFYUNXEJAF-UHFFFAOYSA-N 450.448 2.188 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)C(=O)c2cn(CCCCNC(=O)OC(C)(C)C)nn2)c1 1625080729 AOLYNLJDLJQRPA-UHFFFAOYSA-N 454.531 2.275 30 10 JEEE N#Cc1ccc(CN(CC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)C2CC2)cc1 1642384270 BGHIPYRZXZPPOF-UHFFFAOYSA-N 452.580 2.197 30 10 JEEE C#CCN(C(=O)NCc1ccc(Oc2c(OC)cccc2OC)nc1)[C@H]1CCS(=O)(=O)C1 1675411588 RKQVVRIHOLZEFC-KRWDZBQOSA-N 459.524 2.223 30 10 JEEE CN(C)S(=O)(=O)c1cccc(CNC(=O)NC2CCC(Oc3ncccc3C#N)CC2)c1 1681580596 HLKHLQDLUIGUQX-UHFFFAOYSA-N 457.556 2.393 30 10 JEEE N#Cc1cc(F)ccc1N1CCN(C(=O)N[C@H](Cc2ccccc2)CN2CCOCC2)CC1 1684759113 FCZHLBKIRMPMEE-HSZRJFAPSA-N 451.546 2.472 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1689984142 LVZWPIZOJGLGOJ-HXUWFJFHSA-N 457.600 2.066 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@@H]1CCCCN1CC)[C@H]1CCS(=O)(=O)C1 1689985830 CIOCRDSSBVVJDN-PMACEKPBSA-N 471.627 2.455 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccc(Cl)cc2Cl)n1CC1(O)CCS(=O)(=O)CC1 1690026521 CEARLBGFHXOAPJ-UHFFFAOYSA-N 497.404 2.176 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1(C(N)=O)CCCC1 1690107890 GVWKZQWKBSLNKG-HDICACEKSA-N 474.606 2.181 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCN1CCC(O)CC1 1690108159 QZMGLKPCQREJJX-NRFANRHFSA-N 490.649 2.283 30 10 JEEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 1690120082 FRACAXMENUZZAI-LJQANCHMSA-N 468.606 2.081 30 10 JEEE C#CCSCCn1c(COc2ccccc2F)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1690184001 BMOIEXCSWFKYNK-UHFFFAOYSA-N 481.619 2.223 30 10 JEEE C#CCSCCn1c(N2CCSC3(CCOCC3)C2)nnc1[C@@]1(OCC)CCOC1 1690185964 IVAQNZVZUJIVJY-OAQYLSRUSA-N 452.646 2.399 30 10 JEEE C=C(Br)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCc2c(ccnc2O)C1 1690218857 UPEKGYCFTVNMJF-UHFFFAOYSA-N 456.304 2.497 30 10 JEEE C=C(Br)Cn1c(Cc2ccncc2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1690230962 WMVLXEVSLYJXKL-UZLBHIALSA-N 488.434 2.161 30 10 JEEE C=C1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(OCC(=O)N(C)C)c2)CC1 1690361011 FBCUNLWFDDGJCU-UHFFFAOYSA-N 452.559 2.186 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCCO[C@H](c2ccccc2)C1 1690658887 CPUVHCRSCZYAHF-IBGZPJMESA-N 461.526 2.196 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCc2ccc(O)cc2C1 1690729021 DJNFFAGBWOJWMC-UHFFFAOYSA-N 456.572 2.009 30 10 JEEE CCC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1)OC 1695094022 BIGQTLNWWKBLBJ-FGZHOGPDSA-N 465.602 2.375 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1CCOC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1705560459 HABBZCONSOKSTM-WSTZPKSXSA-N 488.610 2.262 30 10 JEEE C#CCN(c1nnc(COc2ccccc2OC)n1C[C@@H]1OCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1705568966 XLYPNRXBSGBDHE-RXVVDRJESA-N 488.610 2.308 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H]2CCN(CC(F)(F)F)C2)CC1 1705647442 GNFOJLLYZJCVQZ-GOSISDBHSA-N 489.546 2.499 30 10 JEEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1705667178 JOCFDSXQNFWJTE-ORQYLMBXSA-N 477.631 2.472 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1C[C@H](C)CN1CCN(CC)CC1 1705667435 URHVNRXVWCUSHQ-CJFMBICVSA-N 464.618 2.191 30 10 JEEE C=CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCN(CC(=O)NCC)CC1 1705818770 UVNGCJDWSQKGFB-UHFFFAOYSA-N 492.628 2.460 30 10 JEEE C=CCCOCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1705825618 YERDXQMKFJLNJQ-UHFFFAOYSA-N 490.630 2.212 30 10 JEEE C=CCCOCCn1c(N(C)[C@@H]2CCS(=O)(=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705832129 NTKSFUBYQGTHRY-FGTMMUONSA-N 483.635 2.265 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N(C)Cc1ccc(C(=O)NC2CC2)cc1 1705902534 GPZMDWJFXTZSGA-IBGZPJMESA-N 452.559 2.003 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCCN1CCC(O)CC1 1706743703 DVQYEGXXXAHZJS-KRWDZBQOSA-N 474.009 2.447 30 10 JEEE Cc1nn(C)c(N2CCN(c3nnc(C(C)(C)C)n3CCn3cc(Cl)cn3)CC2)c1C#N 1707807531 CXCGGTPATSKEOY-UHFFFAOYSA-N 456.986 2.366 30 10 JEEE CCN1CCN(C[C@H](C)Cn2c(-c3nn(C)c(=O)c4ccccc34)nnc2N(C)C[C@H](C)C#N)CC1 1710295442 HWBSQKPHWIZNPP-UXHICEINSA-N 491.644 2.061 30 10 JEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1722339177 XKXIZDSXYSYLGW-SFHVURJKSA-N 454.600 2.426 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@](O)(c2ccccc2)C(F)(F)F)CC1 1722431208 HGMHHKGZFFXXPV-QHCPKHFHSA-N 499.497 2.131 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2cn(CCCC)nc2C)CC1 1722447331 HYOCPTTVAXVRRC-HXUWFJFHSA-N 453.591 2.101 30 10 JEEE C=CC[C@@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](C(=O)NC)C1)c1ccccc1 1722596366 HTDBBPXSRRELQL-FCHUYYIVSA-N 463.586 2.451 30 10 JEEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2c(F)cccc2Cl)CC1 1722685797 NENQFGJVWKVWAF-CQSZACIVSA-N 467.954 2.121 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N(C)Cc1cnn(CC)c1 1722688987 OZUCYNYAOVMGNT-UHFFFAOYSA-N 461.368 2.201 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1722732057 UGVKIZSSOXYXDC-QUCCMNQESA-N 470.599 2.002 30 10 JEEE CCO[C@@]1(c2nnc(N(C)Cc3cccc(C#N)c3)n2CCN2CCSCC2)CCOC1 1728764488 BNYUJDXMPYLZFW-QHCPKHFHSA-N 456.616 2.487 30 10 JEEE CCOc1ccnc(N2CCN(c3nnc(-c4ccc(C#N)cc4)n3CCC(=O)NC(C)C)CC2)n1 1728906537 HHLXZIHQAKLEPN-UHFFFAOYSA-N 489.584 2.247 30 10 JEEE C#CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@]1(N2CCOCC2)CCSC1 1740601584 FTCRXTVPJRPCAZ-LJQANCHMSA-N 465.421 2.313 30 10 JEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1C[C@H]1CCCN1CCCO)[C@@H]1CCS(=O)(=O)C1 1740620018 SMRJXFCNMZFHOM-NHCUHLMSSA-N 492.045 2.072 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(F)cc3Br)n2CCOCCN(C)C)CC1 1740692743 MGMZVBYVYJUCNC-UHFFFAOYSA-N 479.398 2.180 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(S(C)(=O)=O)cc1 1740725146 HTPACZNILSXFHE-DHIUTWEWSA-N 458.584 2.374 30 10 JEEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1740794252 USSXELJCPMCQEC-UHFFFAOYSA-N 464.530 2.486 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1740795534 WXVZQXKEZOHPDV-GOSISDBHSA-N 496.659 2.041 30 10 JEEE C=C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCN2CCN(C(C)=O)CC2)CC1 1740820472 FSRUXGSDNBKYBV-UHFFFAOYSA-N 454.575 2.283 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1740956636 WJAVPWZVIDDOCW-HNNXBMFYSA-N 451.980 2.304 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1740963927 BAVHQOXRWKQTIY-UHFFFAOYSA-N 479.928 2.348 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@H]2CCSC2)cc1 1740967608 LOFBAQWLCBTQEW-ICSRJNTNSA-N 493.655 2.166 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2CCCn2cc(CO)nn2)C1 1740975091 RVNMVUKOVZILAD-QGZVFWFLSA-N 491.394 2.002 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccsc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1740983924 SLTWPKCSUHAFQC-QBEKEKFNSA-N 454.556 2.238 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccnc(OCc2ccccc2)c1 1741925069 GGYIDKIXVIBSOS-UZUQRXQVSA-N 499.572 2.353 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCN1CCCCCC1=O 1748663977 BUETYKRTDSSMBS-GOSISDBHSA-N 471.631 2.489 30 10 JEEE C#CCCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN2CCOC[C@H]2C1 1748703310 NJVSBHJXOIQZJC-LJQANCHMSA-N 455.559 2.295 30 10 JEEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1748752103 RVUBLKPIWDYOHO-FHWLQOOXSA-N 472.590 2.247 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1CC(C)(C)c1cccs1)[C@H]1CCS(=O)(=O)C1 1748811215 DFDGIMWIHGODEK-INIZCTEOSA-N 456.597 2.401 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1C[C@@H](c1ccc(C)o1)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1748818347 YYIXSSHDEZVTIN-SFTDATJTSA-N 489.642 2.078 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCCCS1(=O)=O 1748950987 SLPLYXWGKDCRLC-HNNXBMFYSA-N 470.393 2.089 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3ccnc(C)n3)CC2)cc1 1749682920 CXXMSIVDANAAQZ-UHFFFAOYSA-N 476.585 2.454 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1749732538 YLNJDOMRYZQYAI-KRWDZBQOSA-N 481.022 2.148 30 10 JEEE CC(C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1)N1CCCC1 1750586874 ATPFUHSLTWSJNP-NRFANRHFSA-N 471.631 2.019 30 10 JEEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(Cc2ccc(F)cc2)n1CCCC(=O)N(C)C 1752280527 FDMBFEQVYLMEDS-SFHVURJKSA-N 491.575 2.253 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc(CN2CCCC2=O)n1Cc1cccc(CN2CCO[C@H](C)C2)c1 1752396295 BFMQVOCVKRAFSN-VQTJNVASSA-N 465.602 2.408 30 10 JEEE C#CCCCCn1c(-c2cnccn2)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1760135494 XQXYXRRJBXFVGW-UHFFFAOYSA-N 469.546 2.189 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1CCO[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1760182207 CBQIWOCETYZUGC-QWFCFKBJSA-N 488.610 2.404 30 10 JEEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1CC(=C)Cl)[C@H]1CCS(=O)(=O)C1 1760191094 AHHVWWCKZQOLEX-INIZCTEOSA-N 450.948 2.245 30 10 JEEE C#CCN(c1nnc(Cn2ccc3ccccc32)n1C[C@H](CC)OC)[C@@H]1CCS(=O)(=O)C1 1760191992 OYRDBUCPWHAQRX-UXHICEINSA-N 455.584 2.333 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 1760247893 UQOYTYBRSPACFB-UHFFFAOYSA-N 455.563 2.332 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CC(C)(C)COC)CC1 1760267400 KLEYNVQNNWWEFH-UHFFFAOYSA-N 453.543 2.312 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Oc1cccc(C)c1 1760295624 UDAPIPNMEAPGRF-ZILOHOTNSA-N 487.626 2.379 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1Cc2ccc(Br)cc2C1 1760346241 PEQBTGLQICDRCZ-KRWDZBQOSA-N 482.404 2.470 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H]1c1ccc(OC)cc1OC 1760515241 TXIPJBVGKWHTPD-GOSISDBHSA-N 456.547 2.077 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](c2nc(C)no2)C1 1760526029 AQHUOWPWBMKOJK-SFHVURJKSA-N 462.514 2.106 30 10 JEEE COC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC[C@@H](O)C2)CC1 1767960731 DHYCEDJHSHXKBE-RBUKOAKNSA-N 454.531 2.168 30 10 JEEE C#CCCN(CCOC)C(=O)NC[C@@H](N1CCN(C(=O)OC(C)(C)C)CC1)C(F)(F)F 1772513614 ZKUNEMIMZVKTEG-MRXNPFEDSA-N 450.502 2.151 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3ccccc3n2)nnc1N1CCC(NC(C)=O)CC1 1772660518 ZZOQTAHZWFPLCI-UHFFFAOYSA-N 468.583 2.199 30 10 JEEE C=CCNC(=O)[C@H](Cc1ccc(OC(C)=O)cc1)NC(=O)/C=C/c1ccc2c(c1)OCCO2 1861570141 RXURCMRVDBKPHD-AKERNLMBSA-N 450.491 2.426 30 10 JEEE C=CCOc1ccccc1[C@@H]1C(C(=O)N[C@H]2CCCC[C@@H]2C)=C(N)Oc2c1c(=O)n(C)c(=O)n2C 1865722701 YAXNTZQAJWZFIN-VDZJLULYSA-N 480.565 2.038 30 10 JEEE N#Cc1ccc(COc2cn(CCN3C(=O)CSC3=O)c(CSCCO)cc2=O)cc1 1870233748 GLXNGXKSZGPTPZ-UHFFFAOYSA-N 459.549 2.220 30 10 JEEE C=CCn1c(C(=O)N2CCN(c3ccccc3F)CC2)cc2c(N3CCC(C(N)=O)CC3)ncnc21 1873562465 DZVYUTQMOGGISC-UHFFFAOYSA-N 491.571 2.421 30 10 JEEE CC(C)N1CCN(CC#CCOC2CCN(S(=O)(=O)c3cc(F)cc(F)c3)CC2)CC1 1889627843 FKQOWNVMPOFLRP-UHFFFAOYSA-N 455.571 2.164 30 10 JEEE N#C[C@@H]1CN(S(=O)(=O)c2ccc(CO)c(Br)c2)CCN1Cc1ccccc1 2157779895 LHFITDPYXXYVTF-QGZVFWFLSA-N 450.358 2.340 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H]1C(=O)NCCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2180985336 ONTTUGYHKUVGFT-RBUKOAKNSA-N 460.380 2.015 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]1CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2247880728 KMHHRRWKQGKGBG-OLZOCXBDSA-N 458.411 2.239 30 10 JEEE C=C(CS(=O)(=O)N[C@H]1CSCCN(C(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2247905077 RVQRPKRXQNTNNR-OAHLLOKOSA-N 462.443 2.446 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2CO)C1 2255200445 HSPFDTDILHJNOC-LLUXXFGUSA-N 451.564 2.027 30 10 JEEE Cc1nc(C(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2267168134 AOUYQGQPUWODDU-HSZRJFAPSA-N 457.405 2.118 30 10 JEEE CN(C[C@@H]1COCCN1C(=O)OC(C)(C)C)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)o1 2267291124 LZSHGJIRGRXZLU-OAHLLOKOSA-N 450.341 2.287 30 10 JEEE CO[C@H]1C[C@H](CNC(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)N(C(=O)OC(C)(C)C)C1 2267477374 KUFWNVIBMJFJIT-KGLIPLIRSA-N 467.397 2.197 30 10 JEEE CCO[C@@H]1C[C@H](NC(=O)OC(C)(C)C)[C@H]1NC(=O)c1occc1B1OC(C)(C)C(C)(C)O1 2267493736 MOLFBSDIXQPNEU-ARFHVFGLSA-N 450.341 2.379 30 10 JEEE C[C@H]1[C@H](NC(=O)C(F)(F)F)[C@H](C)CCN1C(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2267538074 SXOFUOKSKGTCPU-NTZNESFSSA-N 461.315 2.360 30 10 JEEE C[C@H]1CN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)CC[C@@H]1NC(=O)C(F)(F)F 2267723151 OSJBQYBNKSFYSM-AAEUAGOBSA-N 482.355 2.125 30 10 JEEE C=C(CN(C)C(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)B1OC(C)(C)C(C)(C)O1 2268643230 JXPNCXJJPPHATR-INIZCTEOSA-N 472.413 2.057 30 10 JEEE CC(C)(C)OC(=O)N1CC(CO)(C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)c(F)c2)C1 2268653003 YCWMCFSAQHGYIU-UHFFFAOYSA-N 450.316 2.293 30 10 JEEE Cn1ncc(NC(=O)OC(C)(C)C)c1C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2268719949 NHNCQIBUJHHPQU-UHFFFAOYSA-N 463.369 2.453 30 10 JEEE C[C@H]1C[C@@H](CNC(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2281970221 DSLTZTAOLGAUQZ-HOTGVXAUSA-N 462.400 2.342 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1[C@H](CNC(=O)c1cc(B3OC(C)(C)C(C)(C)O3)n[nH]1)C2 2281990324 LSXRLICHFUFATK-ZOBUZTSGSA-N 460.384 2.474 30 10 JEEE CC(C)(C)OC(=O)N1CCCN(CCNC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)CC1 2282020587 ADSYHFYPKAJWNB-UHFFFAOYSA-N 480.440 2.115 30 10 JEEE Cn1cc(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 2282051469 UKRCRHGYMXZVHZ-PHZGNYQRSA-N 460.384 2.380 30 10 JEEE CC(C)(C)OC(=O)N1CCCN(CCNC(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)CC1 2282205017 NDPWYNXSIMBVDT-UHFFFAOYSA-N 463.384 2.251 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2cccc(F)c2B2OC(C)(C)C(C)(C)O2)C1 2282411165 FIFNPHMAROWDHC-RHSMWYFYSA-N 464.343 2.083 30 10 JEEE C[C@H](NC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1)C1(O)CCN(C(=O)OC(C)(C)C)CC1 2282519039 IJOZFHOAKZQLLY-AWEZNQCLSA-N 481.424 2.323 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 2282533243 IYWDGIWTXWVZIE-JKSUJKDBSA-N 460.384 2.048 30 10 JEEE CCc1nn(C)c(C(=O)N(C)C2CC(NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2282558873 FOPPJFCDPMUWGL-UHFFFAOYSA-N 462.400 2.409 30 10 JEEE CC(C)(C)OC(=O)N1[C@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C[C@H]2COC[C@H]21 2282637227 WGAGTEZPLVSZES-QILLFSRXSA-N 461.368 2.068 30 10 JEEE C[C@H]1CN(Cc2ccccc2)C[C@H](C)C1NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282683152 ZDEDORBEFBXGLX-IRXDYDNUSA-N 453.396 2.001 30 10 JEEE Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1O 2282683854 JCTCGBDGEKQOKL-MSOLQXFVSA-N 460.380 2.394 30 10 JEEE Cc1cc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2O)ccc1B1OC(C)(C)C(C)(C)O1 2282699098 HDNRVXRJZGAVBO-RTBURBONSA-N 460.380 2.394 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCCCN(S(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282830630 XJEWBPQWBYUOOT-QGZVFWFLSA-N 481.424 2.449 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCO[C@@H]1C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2285181985 CLXPDJGEASMZTM-ROUUACIJSA-N 464.343 2.423 30 10 JEEE C[C@@H](NS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1)[C@H]1CCCN1C(=O)OC(C)(C)C 2286900198 FCVCFBAJLSOQBH-CRAIPNDOSA-N 481.424 2.447 30 10 JEEE COCc1nnc(SCC(=O)NCc2ccccc2)n1N=Cc1cc2c(cc1[N+](=O)[O-])OCCO2 2331612566 QELGTRRYQFEUGH-UHFFFAOYSA-N 498.521 2.395 30 10 JEEE CO[C@H](CNC(=O)OC(C)(C)C)CNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2339878787 OMAFVVFWQZXAKA-HNNXBMFYSA-N 452.332 2.394 30 10 JEEE CN(C)CC1(Oc2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)CN(C(=O)OC(C)(C)C)C1 2345691871 WESSDPGEVSMKBM-UHFFFAOYSA-N 451.348 2.450 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C[C@]12CCOC2 2362505346 NAATZFQPNKNRBN-FPTDNZKUSA-N 479.408 2.341 30 10 JEEE CC(=O)O[C@H](C)[C@](C)(O)C(=O)O[C@@H]1CC[C@]2(C)CC(=O)C(C(C)(C)O)=C[C@@H]2[C@]1(C)OC(C)=O 257371520 SJHSSSTUOYMEHM-PGAZDGJDSA-N 468.543 2.009 30 10 JEEE CCOCCOCCOC(=O)C[S@@](=O)CC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 586298582 HBGNHCBTKJVKFI-KJEZJMDVSA-N 456.586 2.028 30 10 JEEE C#CCN1CCN(C(=O)[C@@H](CC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)CC1 757269287 MYZRUPBTKRSBDJ-HSZRJFAPSA-N 461.518 2.146 30 10 JEEE Cc1nn(C(C)C)c(C)c1C=NNc1nnc(SCC(=O)NCCc2ccc(F)cc2)n1N 1084174143 MUZXSIPVCWYBJB-UHFFFAOYSA-N 473.582 2.422 30 10 JEEE N#C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@H]2COCCN2CC(F)F)CC1 1136703960 GTXPKPOXMWACLI-DLBZAZTESA-N 457.319 2.124 30 10 JEEE CCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)N1CC[C@](F)(C#N)C1 1197539791 GHHZZPLTCBATFX-FQEVSTJZSA-N 453.540 2.023 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2CCC2(O)CCOCC2)c1 1286309297 JNRZDTKCRCWSIE-UHFFFAOYSA-N 462.554 2.271 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCN(CCC)C1)[C@H]1CCS(=O)(=O)C1 1286383414 MLXBEZKGZZBBGI-UNMCSNQZSA-N 466.611 2.175 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1CCCSC)[C@@H]1CCS(=O)(=O)C1 1286395717 MRWLQTSUKWYAFX-MRXNPFEDSA-N 452.577 2.376 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CCc1nccc(C(F)(F)F)n1 1286418644 FBIMMWFGKOCPGV-UHFFFAOYSA-N 468.443 2.440 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2cccc(N(C)C)c2)CC1 1286492946 LBNXAGQUCDTOFO-OAQYLSRUSA-N 450.587 2.252 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCC1(O)CCC1 1286517686 KMNDWZRACUZFIN-JOCHJYFZSA-N 457.600 2.493 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1286545993 DWIGUOHDCSZKOS-ZCNNSNEGSA-N 458.607 2.236 30 10 JEEE C=CCC(C)(C)Cn1c(-c2ccc[nH]2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1286669990 ZWRWTMFFJSAMMD-UHFFFAOYSA-N 472.619 2.428 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1286784156 XNSPSIGIGIHDPH-BXKMTCNYSA-N 471.558 2.039 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1286817378 UBIBAMGCWAQCOI-XLIONFOSSA-N 480.034 2.356 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1c(C)noc1C 1300538460 QRNXCJDOKLXDNN-IBGZPJMESA-N 454.531 2.312 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CCNc1nccc(C(F)(F)F)n1 1300554873 LBUCMZZDWLFEPE-UHFFFAOYSA-N 483.458 2.309 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@](C)(O)c2ccco2)CC1 1300686287 ZQUKAYHURNPJDL-NRFANRHFSA-N 473.375 2.302 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2CCc2cccc(C(=O)NC)c2)CC1 1300711375 AMRMIASTPNDFRA-SFHVURJKSA-N 450.587 2.360 30 10 JEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CCCCC2)CC1 1301223463 VWPBOWOSKLAOGE-HXUWFJFHSA-N 466.652 2.032 30 10 JEEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(F)ccc1N1CCOCC1)C1CC1 1301314246 QWJGSBZYTLHMJL-MRXNPFEDSA-N 478.594 2.067 30 10 JEEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@](F)(C#N)C1 1301500247 KIQSDFVBSHNMMB-QFIPXVFZSA-N 461.542 2.137 30 10 JEEE CC(C)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCO[C@H]2C)CC1 1303198593 GHZRYDHMJGHPJM-CYFREDJKSA-N 454.575 2.047 30 10 JEEE C#CCN(C)c1nnc(CCOc2ccccc2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1358951585 CVXAFJOULUARCQ-PZJWPPBQSA-N 457.600 2.173 30 10 JEEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1C[C@@H]1CCOC[C@H]1OC)[C@H]1CCS(=O)(=O)C1 1358956220 BYWLFIUPWOUOOY-MYDTUXCISA-N 486.638 2.498 30 10 JEEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 1359054072 IZXMWFWZMUCBGQ-UHFFFAOYSA-N 463.611 2.411 30 10 JEEE C=CCCOCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(CC(F)F)CC1 1359225680 HRYMAZVTBXBUOR-UHFFFAOYSA-N 473.528 2.172 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)CCCN2C 1359281535 DABRNKRMCFSOOD-HXUWFJFHSA-N 459.616 2.250 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CCO[C@@]2(CCOC2)C1 1359293740 YLYRDSLHZHLELD-FQEVSTJZSA-N 462.348 2.006 30 10 JEEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCCN(c2cc(OC)cc(OC)c2)CC1 1359303008 AYTKZAYPTGKSLN-UHFFFAOYSA-N 454.575 2.267 30 10 JEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1359343100 LVJZLOTYUAMQSX-SFHVURJKSA-N 469.677 2.183 30 10 JEEE CC(C)OCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCC(=O)N(C)C)CC1 1360409324 DJNAAWHQJBOOIL-UHFFFAOYSA-N 453.591 2.232 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)s1 1443729934 LTPJLIBCSTWYAC-HNNXBMFYSA-N 457.618 2.470 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]3C2)s1 1456653363 FCBJNTFUFJQELR-CVEARBPZSA-N 469.629 2.470 30 10 JEEE CC(C)[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)NCc1ccnc(C#N)c1 1467722346 IFASWJXJCGFMSQ-KRWDZBQOSA-N 451.346 2.335 30 10 JEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N(CC)C[C@H](O)C(F)(F)F)nnc12 1472547360 DZCUNWHZWVBAQW-AWEZNQCLSA-N 455.462 2.094 30 10 JEEE CCCn1nc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@](C)(O)C(C)C)c2ccccc2c1=O 1501078420 BWSDKYDXXOJLBF-BXKMTCNYSA-N 465.558 2.201 30 10 JEEE COCCN(C)CCCn1c(C2CCCC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1504849999 GNJWFSPXCPINHS-UHFFFAOYSA-N 452.607 2.497 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1Cc1nc(C)cs1)[C@H]1CCS(=O)(=O)C1 1507626587 AUGZDLJIULYNSR-SFHVURJKSA-N 452.565 2.257 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1Cc1oc(CC)nc1C)[C@H]1CCS(=O)(=O)C1 1507634817 NNDNYJUDSKCRAJ-KRWDZBQOSA-N 474.612 2.168 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccccc2OCC)n1C[C@@H]1CCCS(=O)(=O)C1 1507656199 TWETVPDNFHILHO-IBGZPJMESA-N 456.568 2.153 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@H](C(C)C)N1CCOCC1 1507710043 BVKOFBNPPKKGIV-NZQKXSOJSA-N 469.586 2.233 30 10 JEEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1507748421 NGZXBOZWUZSTCA-QGZVFWFLSA-N 452.588 2.048 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1C[C@]1(O)CCO[C@H]1C 1507996919 MGVOFYMQHBXDOR-MHECFPHRSA-N 450.543 2.118 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1CCN(C(C)=O)CC1 1508001433 QRMUVWDCDJHMBN-SFHVURJKSA-N 474.631 2.339 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1508083770 CFYCTPGFARCILN-UHFFFAOYSA-N 457.538 2.486 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N(C)C[C@@H]1CCN(Cc2ccccc2)C1 1508089789 KQOLYIIQVRBWNX-VXKWHMMOSA-N 452.603 2.433 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCCN1CCN(c2ccncc2)CC1 1509938157 DPZXUPTUHVJQKS-FQEVSTJZSA-N 488.600 2.271 30 10 JEEE CCCc1nc(C)c(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(CC(=O)N(C)C)CC2)o1 1514367089 BDTSTYUBCUOENV-UHFFFAOYSA-N 476.585 2.324 30 10 JEEE CCN1CCN(C[C@@H](C)Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N(C)[C@@H](C)CC#N)CC1 1515936597 HGIRPRVUVBEZLC-UXHICEINSA-N 487.674 2.361 30 10 JEEE COc1ccc(CC(=O)N(C)[C@H](C)c2cccc(C#N)c2)cc1S(=O)(=O)N1CCOCC1 1526207765 CAJURROWFCNOFH-QGZVFWFLSA-N 457.552 2.350 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)N[C@@H](C)c1ccccc1 1539267311 YLEPRSPBBIRMKT-FPOVZHCZSA-N 453.612 2.382 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H](C)N1CCOCC1 1539385100 WUKRQCXESFWZEY-NLFFAJNJSA-N 471.577 2.430 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2CCCc2cnn(C)c2)CC1 1539475323 BTNZUFGPBKGLTM-UHFFFAOYSA-N 461.570 2.286 30 10 JEEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C(=O)NCC)CC1 1539984812 BBGZKXNLMYVIQQ-UHFFFAOYSA-N 475.619 2.013 30 10 JEEE C=CCCCn1c(Cc2ccccc2OC)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1540007021 JGKNBQRUWWYFKB-UHFFFAOYSA-N 466.586 2.115 30 10 JEEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1540861152 DNHPANAAUPWQSC-SFHVURJKSA-N 482.589 2.357 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1540865472 IDXCYUBKHAKXQL-INIZCTEOSA-N 482.404 2.023 30 10 JEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N(C)Cc1nc(O)c2ccccc2n1 1540873472 YTIQXXZVYLPSGS-UHFFFAOYSA-N 464.555 2.221 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC(NC(C)=O)CC1 1540905121 SRSSIQRRFMZWPD-UHFFFAOYSA-N 470.599 2.056 30 10 JEEE CC(C)N(C)S(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)cc1 1543733963 ASSOBECOSSFDBS-QGZVFWFLSA-N 450.561 2.301 30 10 JEEE N#Cc1ccc(N2CCN(S(=O)(=O)c3cc(F)cc(F)c3)C[C@@H]2C(N)=O)cc1C(F)(F)F 1548367472 CEDDIKSLYIIOIW-QGZVFWFLSA-N 474.411 2.220 30 10 JEEE N#CCCN(CC1CC1)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1555993848 FMLIPPGRFSUJKT-QGZVFWFLSA-N 492.506 2.319 30 10 JEEE C=CCNS(=O)(=O)c1cccc(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)c1 1556946026 JLKNAAZNZPGIMF-UHFFFAOYSA-N 451.495 2.196 30 10 JEEE COC(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)OC 1565537393 XWFDREYZNGAQBP-NTVCTMEXSA-N 491.625 2.389 30 10 JEEE C#C[C@H](CO)NC(=O)[C@@H]1CCC(=O)N(c2ccc(OC)cc2)[C@@H]1c1ccc(OC)c(OC)c1 1569718032 RLEYVUOKAULPLW-WSCWJOSJSA-N 452.507 2.307 30 10 JEEE COC(=O)[C@@H]1CN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)C[C@H]1c1ccc(Cl)cc1 1583087643 CIBSGYCLWSLIEF-PNHOKKKMSA-N 475.954 2.294 30 10 JEEE C#CCCCn1c(Cc2ccncc2)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1587869498 OLDFPLPWFRSORR-UHFFFAOYSA-N 468.558 2.327 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1CCc1csc(C(C)(C)C)n1)[C@@H]1CCS(=O)(=O)C1 1588054302 NEAIFVFLKRXDBD-FUHWJXTLSA-N 477.656 2.405 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@](C)(O)CCC(C)C)[C@H]1CCS(=O)(=O)C1 1588064748 OHZPSHNKGSWWLG-NZQKXSOJSA-N 459.616 2.078 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2c(F)cc(F)c(F)c2F)CC1 1588751376 JYTQDATTXUEGBA-CQSZACIVSA-N 455.456 2.362 30 10 JEEE C#CCN1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CC(C)(C)CN(C)C)CC1 1588806107 GVHKTUPIOHLGML-UHFFFAOYSA-N 476.629 2.018 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2CC2(C(=O)NCC)CCC2)CC1 1588872043 WJTLYYWDYGONDQ-UHFFFAOYSA-N 454.550 2.058 30 10 JEEE C#CCSCCn1c(N2CCO[C@@](C)(c3cnn(C)c3)C2)nnc1[C@]1(OC(C)C)CCOC1 1589125749 QAJDMPHXDNSEJR-PKTZIBPZSA-N 474.631 2.171 30 10 JEEE C#CCSCCn1c(N2C[C@@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)nnc1[C@@]1(OCC)CCOC1 1589126283 ZRYBSGZUPAGDKX-PDIWNELESA-N 477.631 2.400 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CCOc2ccccc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1589557829 JFJYZIVDMMXDSJ-REWPJTCUSA-N 489.642 2.353 30 10 JEEE C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1CCCN(c2nccc(OCC)n2)CC1 1593907992 DOPBYDPMFFKVCM-UHFFFAOYSA-N 460.970 2.058 30 10 JEEE C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 1595330488 USKFYEQKJCJQCC-OAHLLOKOSA-N 487.424 2.099 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@H]2CCCS(=O)(=O)C2)C1 1595755233 UEOIIKYHLIVWFE-WIYYLYMNSA-N 476.599 2.472 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1595773255 VVIJZRDAXIIGHM-NRFANRHFSA-N 470.599 2.420 30 10 JEEE C#CCN1CCC[C@H](NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Br)C1 1595790223 JNKXDAFLCTZLCA-HNNXBMFYSA-N 454.390 2.061 30 10 JEEE CC(C)NS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ccccc2C#N)CC1 1610304437 CQHSQNLZWRJQFB-NRFANRHFSA-N 487.630 2.046 30 10 JEEE CC(C)NS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H]1[C@@H]1CCCO1 1610312675 BIHOCUSUCGTWRH-SFTDATJTSA-N 488.614 2.204 30 10 JEEE C[C@H]1CCCCN1CCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](C#N)C1 1612771970 CHETWAIYOIIAMN-ROUUACIJSA-N 457.604 2.263 30 10 JEEE CC[C@H](C)[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCn2nc(C)nc2C1 1613123532 HEURYTBRJWVLCA-QMHKHESXSA-N 450.547 2.446 30 10 JEEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCCN(C(=O)CCc3ccccc3)CC2)c1 1621882171 XABFYRYHPOOXRP-UHFFFAOYSA-N 455.580 2.458 30 10 JEEE C#CCN(CC1CC1)C(=O)c1cc(S(=O)(=O)NC[C@H]2CCCO2)ccc1Br 1630791856 AWNHSYVOFMFMCV-OAHLLOKOSA-N 455.374 2.392 30 10 JEEE C#CC[C@@H](NCC(=O)N1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1)c1ccccc1 1645100316 MFTBZJBOHRUHEK-HSZRJFAPSA-N 453.564 2.076 30 10 JEEE Cc1c(NC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cccc1S(=O)(=O)N(C)C 1670887535 IDNTZXYGYUIEON-ZBFHGGJFSA-N 451.549 2.126 30 10 JEEE C=CC[C@@H](Cc1ccccc1)NC(=O)NCCN=c1ncnc2n(C)[nH]c(Br)c1-2 1677128324 DXRSGMUKTAEHMT-HNNXBMFYSA-N 458.364 2.398 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1c(Cl)c(C(F)(F)F)nn1C 1689851421 QSRRMPTXCFIUIB-GHMZBOCLSA-N 464.901 2.092 30 10 JEEE C#CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1689874773 AWGFDHMPLCCZAW-HSZRJFAPSA-N 454.962 2.381 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1CCc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1689986081 IIGBXVCGVZCDGG-HXUWFJFHSA-N 451.552 2.218 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1689996775 OAVOHQZBQCPBLF-IBGZPJMESA-N 462.547 2.050 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2CC[C@@H](N2CCOCC2)C(F)(F)F)CC1 1690114848 JCRQYVOTPJAENY-OAQYLSRUSA-N 492.546 2.362 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3noc4c3COCC4)n2CCOCCC(C)C)CC1 1690144173 ODSRUNBLUAKZQF-UHFFFAOYSA-N 470.574 2.034 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H](OC)C(C)(C)C)CC1 1690154206 JYVPLWHLARDPPI-ZCNNSNEGSA-N 461.607 2.029 30 10 JEEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](NC(=O)OCC)C1 1690644507 PWLYQFOJILUUGZ-DLBZAZTESA-N 464.567 2.487 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1690660727 NQJUSHHMEILPTO-NTKDMRAZSA-N 487.626 2.352 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](CC)c2ccccc2)nnc1N1CCC(N2CCNC2=O)CC1 1690715747 SWIIWPUKAYQHJX-OAQYLSRUSA-N 486.642 2.415 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(C)(C#N)CC1 1690717594 KKLZOVHSFIUUPZ-UHFFFAOYSA-N 477.612 2.079 30 10 JEEE Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C#N)C3)n2C[C@](C)(O)c2cccc(Cl)c2)n1 1693428832 CGTNTDLARVBIMS-KNQAVFIVSA-N 455.950 2.430 30 10 JEEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC(C)(C)O1 1693783611 HVYCSZHSQYPHSB-AEFFLSMTSA-N 458.588 2.102 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@H]1CCN(CC)C1)[C@H]1CCS(=O)(=O)C1 1705571107 VVILDZZIOXCSMX-ROUUACIJSA-N 477.581 2.116 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@H](C)N2CCc3ccccc32)CC1 1705635330 WEXFSLKRLXYFIW-SFTDATJTSA-N 452.603 2.209 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)CC1 1705647141 BCMOTOZREAXPLU-OALUTQOASA-N 456.635 2.399 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCc2nccc(C(F)(F)F)n2)CC1 1705648726 XGJOWYJYAXJNDL-KRWDZBQOSA-N 491.518 2.189 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2Cc2ccc(OCCOC)cc2)CC1 1705649450 YEAATGMWSHTFML-UHFFFAOYSA-N 474.565 2.379 30 10 JEEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1705656696 GDQRRHHNKATFMW-FQEVSTJZSA-N 485.610 2.156 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CCN1CCOCC1 1705709915 SZLRJCFTSYTSSH-URXFXBBRSA-N 466.586 2.478 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1705898525 ONUXGUBRAFHSDB-RUZDIDTESA-N 485.585 2.429 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1705937316 PVIBDGIRSMFOBA-LJQANCHMSA-N 455.588 2.112 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2CC2CCN(C(C)=O)CC2)c1 1722310036 RJZCNRTWRHPDEO-JOCHJYFZSA-N 478.597 2.487 30 10 JEEE C#CCN(C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1722347981 TZCZOXAEVXWCJE-MOPGFXCFSA-N 473.599 2.236 30 10 JEEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccccc1CN1CC[C@H](O)C1 1722404480 CAQOSPJTVCNWFW-WIOPSUGQSA-N 453.587 2.005 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnn(C)c3)n2CC2(O)CCCCCC2)n1 1722426728 AZUWFGOKDDZATQ-UHFFFAOYSA-N 466.590 2.247 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@@](C)(O)CCOC)CC1 1722432868 HVTVXYUSNVHAPE-NRFANRHFSA-N 480.382 2.389 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2c(C)coc2C)CC1 1722440757 IOJQPQBSBCUXGJ-UHFFFAOYSA-N 461.526 2.149 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2CCOc2ncccc2F)CC1 1722441461 KFMAQIYXZFGPPN-UHFFFAOYSA-N 466.517 2.234 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](CC)Oc2ccccc2F)CC1 1722448728 YELYWDSAXUMQII-QUCCMNQESA-N 482.560 2.192 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](C(=O)NCCCC)C1 1722485176 QRDLZMYTXQKVHN-GJZGRUSLSA-N 453.385 2.271 30 10 JEEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1722535305 FDTSQYBTTVKVDO-UHFFFAOYSA-N 495.609 2.220 30 10 JEEE C=C(Cl)Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1722547693 LXAHLRLALZRDDK-GOSISDBHSA-N 472.977 2.270 30 10 JEEE C=CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(CC(=O)NCC)CC1 1722609815 GOSCIRRSYYTMJE-UHFFFAOYSA-N 450.385 2.260 30 10 JEEE C=CCCCn1c(-c2noc3c2COCC3)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1722615072 YYNPAWZKBSHOKN-UHFFFAOYSA-N 464.592 2.222 30 10 JEEE C=CCCOCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1722624761 HZWNZOCTWAJCQG-UHFFFAOYSA-N 479.585 2.192 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c(-c2cnccn2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1)C(C)C 1722664480 ALQTZTARUFZDMC-URXFXBBRSA-N 485.658 2.449 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 1722700603 NKSXFEGZUKEVEB-QGZVFWFLSA-N 468.583 2.167 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2c(C)cccc2C)C1 1722719582 WOJWVZXSCAVGTI-UNMCSNQZSA-N 489.642 2.252 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCc3c(cccc3OC)C2)nnc1[C@]1(OC(C)C)CCOC1 1722731206 GSXXFEUWUZXBIX-DEOSSOPVSA-N 490.626 2.491 30 10 JEEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)N2CCOCC2)CC(C)(C)O1 1726722322 HCWVFNPCPHPGED-OALUTQOASA-N 454.575 2.453 30 10 JEEE CCOc1ccccc1OCc1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@@]1(O)CCN(C)C1 1728898969 CFIIFKAIGHHTEQ-BJKOFHAPSA-N 454.575 2.452 30 10 JEEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(Cl)c(OCC)c(OC)c1 1740599879 GUQFGFZSXQPXGH-CYBMUJFWSA-N 455.968 2.067 30 10 JEEE C#CCN(C)c1nnc(COc2cccc(C)c2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1740613274 AIPDLNRUUSVEIJ-PZJWPPBQSA-N 457.600 2.439 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2Cl)n1CC(=O)NCC=C)[C@H]1CCS(=O)(=O)C1 1740618967 FAERLMQDQWHFTR-HNNXBMFYSA-N 482.393 2.181 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2c(CC)nn(C)c2OC)CC1 1740692330 IUMBFOJFDLYFDF-UHFFFAOYSA-N 487.406 2.144 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccc(COCC(F)(F)F)c2)CC1 1740694789 UGOHMUMGEMNAIX-LJQANCHMSA-N 476.503 2.112 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCOCCCC)CC1 1740705808 MMTLYYLASDSOMT-UHFFFAOYSA-N 477.569 2.376 30 10 JEEE C#CCSCCn1c(Cc2ccccc2F)nnc1N1CCN(c2nccc(OC)n2)CC1 1740719696 QDCSXJPKFFMBHG-UHFFFAOYSA-N 467.574 2.500 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1740762693 VRKXNMDCFFDXIR-HHARLNAUSA-N 478.537 2.317 30 10 JEEE C=C(C)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCN(CCOC)[C@@H](C)C1 1740783382 HVMMOBSARSCLKJ-QHCPKHFHSA-N 467.662 2.376 30 10 JEEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1740858578 VHPDYNDOUNMFIJ-INIZCTEOSA-N 464.567 2.237 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N1CCCN(C(=O)C(C)C)CC1 1740955278 OQWMBPPPEAQSSV-UHFFFAOYSA-N 461.570 2.490 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2OC)nnc1N1CCOCC2(CC2)C1 1740994582 UHPUWKAEVKGAFU-UHFFFAOYSA-N 462.572 2.083 30 10 JEEE CC(C)n1nc(-c2nnc(N(C)C[C@@H](C)C#N)n2C[C@H]2CCS(=O)(=O)C2)c2ccccc2c1=O 1741129551 FGLBAFGMKHFJMD-DLBZAZTESA-N 483.598 2.266 30 10 JEEE CNC(=O)[C@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCOC[C@H]2C)C1 1748143008 CFTBMGARSWRODI-YIGJPRQDSA-N 452.559 2.364 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1Cc1ccc(NC(N)=O)cc1)[C@H]1CCS(=O)(=O)C1 1748819748 STWDNJNMJZNUOR-IBGZPJMESA-N 484.607 2.096 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1CCCc1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 1748821723 UCKSRKMOFZQFGT-QFIPXVFZSA-N 466.611 2.056 30 10 JEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1CCOc1cccc(C(F)(F)F)n1 1748900784 LRHIOYHRDQTBCU-UHFFFAOYSA-N 460.460 2.356 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CCS(=O)(=O)C(C)(C)C 1748945318 QJVIARQMZORLSA-SFHVURJKSA-N 461.563 2.221 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCCCN2C[C@@H](C)C[C@H](C)C2)CC1 1749008869 HTQRODCTCHFMBL-SFTDATJTSA-N 478.645 2.459 30 10 JEEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(NC(=O)COC)CC1 1749023595 XRDBSNWVEQUZQF-UHFFFAOYSA-N 481.420 2.134 30 10 JEEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1749024697 YRNUZRLAAYUUEU-HXUWFJFHSA-N 498.609 2.095 30 10 JEEE C=C(Br)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@@H](C(=O)OC)C1 1749089630 AYAZERDBQPBKTB-OAHLLOKOSA-N 473.335 2.219 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccc2OC)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1749133174 IRFSSSFIZZBOMP-FIXDAVPBSA-N 470.570 2.219 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(N2CCS(=O)(=O)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1749141013 WMOVOJAGEZBIHN-INDMIFKZSA-N 495.646 2.265 30 10 JEEE C=C(C)Cn1c(-c2ccc(Br)cc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1749182180 QVKJHTOFWBDMNI-UHFFFAOYSA-N 475.391 2.457 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)C1CCC2(CC1)OCCO2 1749655314 HLYTWWLTELIZBV-UHFFFAOYSA-N 456.503 2.277 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CC[C@@H](CN(CC)CC(F)(F)F)C1 1749664261 IQMYTQUKTWHNEI-INIZCTEOSA-N 451.497 2.353 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1749701693 XOUWNLSTEZXKBN-IEBWSBKVSA-N 491.614 2.025 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CC=CCC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1749739463 BYKVPJPOGIRFIC-CALCHBBNSA-N 451.593 2.416 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1749739512 DSNNEAWXBWJCHZ-ROUUACIJSA-N 464.563 2.460 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H](C)Oc1ccccc1)[C@H]1CCS(=O)(=O)C1 1760183454 BKZNPSHKUFBHSP-OALUTQOASA-N 451.552 2.434 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](CC)N1CCc2ccccc2C1 1760248363 JXRZCAWVPCZVAK-VXKWHMMOSA-N 450.587 2.152 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccc(S(C)(=O)=O)c3)n2[C@H]2C[C@@H]2C)n1 1760252886 SRPHDCOOZWALQR-UWJYYQICSA-N 468.583 2.412 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@]2(N(C)C)CCSC2)CC1 1760254841 MVVOGWDJRJLQKJ-NRFANRHFSA-N 492.491 2.239 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C)CN2CCCCC2)CC1 1760265380 ZTPNCLPDJNMIMK-FQEVSTJZSA-N 492.628 2.013 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)CCS(=O)(=O)CC 1760336030 ULAWJYYENSABRM-JXFKEZNVSA-N 486.598 2.446 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1760524191 RLCDFSHBWMCRJW-IBGZPJMESA-N 455.519 2.057 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC([C@H](O)c3ccc(F)cc3)CC2)nnc1[C@@]1(OCC)CCOC1 1760528790 MLYOKGQIEYFMFN-RCZVLFRGSA-N 487.576 2.322 30 10 JEEE CN(C)[C@]1(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC[C@@](C)(C#N)C2)CCSC1 1766900899 GAZNDXAHKWZFMJ-VXKWHMMOSA-N 454.604 2.493 30 10 JEEE COCCN(C)CCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCO[C@H](C#N)C1 1769777801 DKRWFRPTSUQUMX-HXUWFJFHSA-N 491.637 2.090 30 10 JEEE CSC[C@H]1CCCN1c1nnc(COc2ccc(C#N)cc2)n1CCC(=O)N1CCOCC1 1771447450 GBMBBNHAPZTCHA-LJQANCHMSA-N 470.599 2.309 30 10 JEEE N#Cc1cccc(C(=O)Nc2ccc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)nc2)c1 1858277718 KRHOIXOONCXWRX-UHFFFAOYSA-N 491.529 2.479 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)[C@H](C)Oc3cccnc3NC(=O)N[C@@H](C)C(=O)O)cc21 1858806483 CAWZHQNBWPIUOZ-KBPBESRZSA-N 468.466 2.238 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H](C)O)[C@H]2c2ccc3c(c2)OCCO3)cc1OC 1862574415 PJOXJHJXOAIBOP-ZSEKCTLFSA-N 455.463 2.434 30 10 JEEE CCC[C@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1869930017 QXFHPPLIYVYDBP-FQEVSTJZSA-N 456.568 2.251 30 10 JEEE C=CCN(CC=C)c1nc(NC(=O)Cc2ccc(OC)c(OC)c2)n([C@H]2CCS(=O)(=O)C2)n1 1870004452 ACEGVGSSDNRRBO-KRWDZBQOSA-N 475.571 2.015 30 10 JEEE C=CCN(CC=C)c1nc(NC(=O)c2cccc(NC(C)=O)c2)n([C@@H]2CCS(=O)(=O)C2)n1 1870005146 YMLJUYLWHASRKK-GOSISDBHSA-N 458.544 2.027 30 10 JEEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)[C@@H](CN)c1nn(C)cc1I 2194767182 IHXSTOLKWWOCIC-INIZCTEOSA-N 487.386 2.359 30 10 JEEE CON(CCNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C)C(=O)OC(C)(C)C 2255748394 BORWEXTXLUHPTK-UHFFFAOYSA-N 476.426 2.433 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2O)s1 2267105160 IEJYEBNBJFNVAA-JKSUJKDBSA-N 466.409 2.456 30 10 JEEE CC1(C)OB(c2scnc2CS(=O)(=O)NCc2nccn2Cc2ccccc2)OC1(C)C 2267469584 XXZMYVUTBDTYIX-UHFFFAOYSA-N 474.417 2.307 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](CNC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)CO1 2267489175 VJXRUQNDSTUJNW-KBPBESRZSA-N 467.397 2.102 30 10 JEEE Cc1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2CO)c(B2OC(C)(C)C(C)(C)O2)s1 2267537963 KQSMOIGZOYDJRV-OAHLLOKOSA-N 466.409 2.410 30 10 JEEE CN(C[C@@H](O)COCc1ccccc1)S(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2267715521 YKFRMKGSBHNXLU-HXUWFJFHSA-N 461.389 2.184 30 10 JEEE C=C(CS(=O)(=O)NC[C@@H]1C[C@@H]2COC[C@H]2N1C(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2267721533 GRDSKONZTKAZBA-IXDOHACOSA-N 472.413 2.118 30 10 JEEE CN(Cc1csc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)[C@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C 2268651016 SUOUQMNJSGANAB-HZPDHXFCSA-N 466.409 2.376 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)Nc1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2268654810 DVEBXYBLHIXXAC-YOEHRIQHSA-N 450.316 2.434 30 10 JEEE CO[C@H]1[C@H](CNCc2occc2B2OC(C)(C)C(C)(C)O2)N(C(=O)OC(C)(C)C)C[C@H]1OC 2279461229 OHHLKJAOPSIDOJ-UHOSZYNNSA-N 466.384 2.318 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](CO)[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)CC1 2281999608 YHGQFINMHWNXKW-HUUCEWRRSA-N 481.424 2.180 30 10 JEEE CO[C@@H]1CN(C(=O)c2cc(F)ccc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1NC(=O)OC(C)(C)C 2282141708 JVVNZKWJIZTSEW-ZWKOTPCHSA-N 464.343 2.489 30 10 JEEE CC[C@@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CC[C@@H]1NC(=O)OC(C)(C)C 2282533377 KLIREFLTTIPQJV-WBVHZDCISA-N 462.400 2.485 30 10 JEEE CCc1nn(C)c(C(=O)N=[S@](C)(=O)CCNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2282557818 AKORBHNEKFOTNZ-MGBGTMOVSA-N 484.428 2.044 30 10 JEEE Cc1ccnc(C(=O)N2CC[C@@H](NC(=O)C(F)(F)F)C[C@@H]2C)c1B1OC(C)(C)C(C)(C)O1 2282567643 QPVQYFBUAHOCGW-UONOGXRCSA-N 455.286 2.361 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N=[S@](C)(=O)C[C@@H](C)NC(=O)OC(C)(C)C 2282581850 NTMFLTKVNRHOMR-AADXJYSNSA-N 484.428 2.179 30 10 JEEE C[C@H](CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 2282614403 IKMQPQSPSFAMOB-IQMFZBJNSA-N 463.384 2.052 30 10 JEEE Cn1nc(C(=O)N[C@H]2C[C@H]3CC[C@H]2N(C(=O)OC(C)(C)C)C3)cc1B1OC(C)(C)C(C)(C)O1 2282629514 WTAIOAVHUFNEEJ-HLLBOEOZSA-N 460.384 2.237 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CNC(=O)c3ncncc3B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2282695896 VDVIUKJWLKPREU-BZUAXINKSA-N 458.368 2.009 30 10 JEEE CC1(C)OB(c2scnc2CS(=O)(=O)NCCc2cnn(Cc3ccccc3)c2)OC1(C)C 2282839791 JBAYPOJTSHYTMP-UHFFFAOYSA-N 488.444 2.349 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@H](CC(=O)N=c2ccc(Cl)c(B3OC(C)(C)C(C)(C)O3)[nH]2)C1 2283983700 NOWRNIZUOJTJIH-CQSZACIVSA-N 481.786 2.421 30 10 JEEE CC(C)(C)OC(=O)N[C@H](C(=O)N1Cc2cccc(B3OC(C)(C)C(C)(C)O3)c2C1)C(C)(C)O 2284052451 XYRPBIYHCMPTHB-GOSISDBHSA-N 460.380 2.492 30 10 JEEE CC(C)(C)OC(=O)NCc1ccccc1CC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2284060655 PVWWVGFPHODRSU-UHFFFAOYSA-N 474.392 2.465 30 10 JEEE C[C@@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C1(O)CCC1)c1nscc1B1OC(C)(C)C(C)(C)O1 2284068334 CIRVIBBQDZIVFO-CZUORRHYSA-N 481.424 2.428 30 10 JEEE COc1cc(C=Nn2c(SCCO)nnc2C2CCC2)ccc1OCCN1CCOCC1 2331546012 QZQDQNAWNJBXTJ-UHFFFAOYSA-N 461.588 2.232 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1C[C@@H]2C[C@H]1CN2C(=O)OC(C)(C)C 2366855912 XBPIUYUJQBNXLT-HRCADAONSA-N 460.384 2.155 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)Nc3cc(S(C)(=O)=O)ccc3Cl)cc2C1=O 9702146 BMCXUBFMGYLJNV-UHFFFAOYSA-N 476.894 2.321 30 10 JEEE Cc1cccc(OC[C@@H](O)Cn2c(N/N=C/c3ccc(Cl)cc3)nc3c2c(=O)n(C)c(=O)n3C)c1 107285952 GQWLNCFINKHOMC-XIMCHAMWSA-N 496.955 2.281 30 10 JEEE CCCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1cccc(CC)c1 729670242 NPHGKAMEUMDNBX-UHFFFAOYSA-N 457.559 2.138 30 10 JEEE N#Cc1ccc(N2CCC[C@@H](NC(=O)CC3(CC(=O)N4CCOCC4)CCCC3)C2=O)cc1 1128015172 CJPKCGKBPIHIKP-OAQYLSRUSA-N 452.555 2.369 30 10 JEEE C#C[C@@H](NC(=O)c1ccc(S(=O)(=O)N[C@@H](C)CO)cc1)c1ccc(Br)cc1 1141461499 WWRLESRHVGQAPE-SCLBCKFNSA-N 451.342 2.213 30 10 JEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1c(CC)nn(C)c1OC 1286376433 LDJKVZATMIINHD-GOSISDBHSA-N 473.578 2.009 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@H]1CCCCN1CC)[C@@H]1CCS(=O)(=O)C1 1286389119 FWHHTLNCOFQJFX-WOJBJXKFSA-N 456.616 2.150 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1c(Cl)cccc1OC)[C@H]1CCS(=O)(=O)C1 1286389368 IPZVGPYBGMGSCY-INIZCTEOSA-N 474.974 2.016 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCC1CCC(OC)CC1)[C@H]1CCS(=O)(=O)C1 1286397278 YSIWPJXYARBABB-OMYXNUHHSA-N 464.632 2.394 30 10 JEEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1C[C@@H]1CC=CCO1)[C@@H]1CCS(=O)(=O)C1 1286398204 WMJHAZPXPSEMJX-RTWAWAEBSA-N 470.595 2.446 30 10 JEEE C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1Cc2ccccc2C1 1286540394 AJKRGUHOMMXGJR-SFHVURJKSA-N 496.431 2.123 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1286587413 IXSMMRHLVAHDDF-LJQANCHMSA-N 481.644 2.175 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@]2(C)[C@H](C1)C2(Cl)Cl 1286592537 KGDBRPIRMDETJO-ZQIUZPCESA-N 464.419 2.207 30 10 JEEE C=CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1286701288 XSJCXKYBVCTNOU-IAGOWNOFSA-N 469.608 2.176 30 10 JEEE C=CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC(=O)N1CCN(c2ccccc2)CC1 1286716587 HSARNBWEEZVVHT-VWLOTQADSA-N 468.602 2.290 30 10 JEEE C=CCSCCn1c(-c2ccccc2C)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1286828717 APXPTAFGYLZKNW-UHFFFAOYSA-N 468.627 2.444 30 10 JEEE CN(C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)C1(CNC(=O)OC(C)(C)C)CCC1 1298252186 FZFARDFPSREAES-UHFFFAOYSA-N 450.561 2.021 30 10 JEEE Cn1cc(-c2nnc(N3CCO[C@H](c4cccc(C#N)c4)C3)n2CCNC(=O)C(C)(C)C)cn1 1298817991 BMLICERIGXAZSW-FQEVSTJZSA-N 462.558 2.290 30 10 JEEE COC(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCn2cc(Br)cn2)C1 1299376173 DQLXHSJHPYJCAP-MRXNPFEDSA-N 470.331 2.475 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1cnccc1OC 1300285213 YMRYWHUYZVHEPH-INIZCTEOSA-N 454.556 2.105 30 10 JEEE C#CCCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1300372477 SCRQWULFNIOEQH-UHFFFAOYSA-N 478.597 2.205 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1CCOc1ccc(F)c(F)c1)[C@H]1CCS(=O)(=O)C1 1300488953 XXCCLMFAXCFHHF-KRWDZBQOSA-N 473.505 2.324 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC1(CC)CCOCC1)[C@H]1CCS(=O)(=O)C1 1300496988 WWBBZRUAMOSLCP-MOPGFXCFSA-N 450.605 2.006 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CCOc1ncccc1F)[C@H]1CCS(=O)(=O)C1 1300504321 LTWDAMRMFCQDFR-IBGZPJMESA-N 499.568 2.405 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@]1(O)CCO[C@H]1C 1300578991 LLZZTWGWJCPWJS-AFMDSPMNSA-N 474.565 2.068 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)ccc3Br)n2C[C@@]2(O)CCO[C@H]2C)CC1 1300689546 YIJHZMJNANWSOW-AOMKIAJQSA-N 490.402 2.011 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2ccccc2)C[C@@H]1C 1300764509 XJAIJZCIFDWBBA-FPOVZHCZSA-N 473.668 2.257 30 10 JEEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1300766929 NZXFZAYGZVNMAL-KRWDZBQOSA-N 452.588 2.205 30 10 JEEE C=CC1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CC(=O)N(CCOC)C2)CC1 1301129819 CITKSWGGVSNJCD-SFHVURJKSA-N 472.615 2.167 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(F)ccc1F)C1CC1 1301327324 PTGYMOMJXBZWRA-SFHVURJKSA-N 453.515 2.092 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(CC)C(C)C)cc1 1301524358 BVDDMJPJIHZNSQ-FQEVSTJZSA-N 463.604 2.459 30 10 JEEE C=CCC1(NCC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)CCCCC1 1308002747 LGRJKQVFHCWZRI-UHFFFAOYSA-N 450.561 2.296 30 10 JEEE CCS(=O)(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1CCCN1CCCO[C@@H](C)C1 1314520538 DXJSOPRQSBFFII-IBGZPJMESA-N 474.631 2.189 30 10 JEEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1358916021 XAAPBUOURXDPSK-UHFFFAOYSA-N 460.586 2.369 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1CCCSC)[C@@H]1CCS(=O)(=O)C1 1358958169 IXRNLKGZIVXVLE-QGZVFWFLSA-N 464.613 2.342 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1C[C@]1(OC)CCOC1)[C@@H]1CCS(=O)(=O)C1 1358958642 SNVFBZOQWFGPNZ-IIBYNOLFSA-N 482.965 2.170 30 10 JEEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1c(C)sc(C)c1Br 1358969758 WBSRLVHWISJZQC-LBPRGKRZSA-N 484.445 2.450 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(O)CCc2ccccc21 1358979235 HFNBVJLBJUOOAR-CUNXSJBXSA-N 491.592 2.493 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCC(C)CC2)nc1 1359009287 LZPFSCBHVIXHMV-HXUWFJFHSA-N 456.616 2.319 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1CCS(=O)(=O)C(C)(C)C 1359020233 WEZWNMDHSJNTNF-UHFFFAOYSA-N 472.409 2.335 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1359046708 CEFBNSAHAMJQFU-NRFANRHFSA-N 478.597 2.046 30 10 JEEE C=C(Br)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CCOC)[C@@H](CC)C1 1359076594 GSOMTELUGUWUQG-INIZCTEOSA-N 478.395 2.381 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1359304986 PSDAEOVRYVXTKW-GOSISDBHSA-N 458.538 2.039 30 10 JEEE CC(C)(C)Cc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CCN1CCCS1(=O)=O 1359536871 BBVZNNCNXHEXRT-UHFFFAOYSA-N 499.685 2.486 30 10 JEEE C=CC[C@@H](NS(=O)(=O)c1cc(Cl)c(OCC(=O)N(C)C)c(Cl)c1)C(=O)OCC 1463496585 GZZASZYPICHHQW-CQSZACIVSA-N 453.344 2.247 30 10 JEEE CS(=O)(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CSCCS2)CC1 1505136922 FQXYIZBWKKXQRJ-GOSISDBHSA-N 478.669 2.137 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2C[C@@H](C(C)C)N2CCOCC2)c1 1507549861 RACNYNCDUMTUFP-QHCPKHFHSA-N 488.596 2.148 30 10 JEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1Cc1cnn(C)c1C)[C@H]1CCS(=O)(=O)C1 1507632866 BAVKHYNNOWNNPB-FQEVSTJZSA-N 473.002 2.239 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@](C)(O)c1ccco1 1507663141 UNYILBKSJCSTBP-HSZRJFAPSA-N 452.536 2.312 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCC(=O)NC(C)C 1507675909 HGSQIDPZXAMHSD-KDURUIRLSA-N 456.591 2.426 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C)n2C[C@H](c2ccc(OC)cc2)N2CCCC2)CC1 1507737039 XJFPPGRLCPVARD-HSZRJFAPSA-N 450.587 2.398 30 10 JEEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(CC(=O)NC)CC1 1507747055 FEFRADUPEJTODP-UHFFFAOYSA-N 475.640 2.068 30 10 JEEE C=C(Br)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1507777985 LVGUGLJHKQBVTI-UHFFFAOYSA-N 487.318 2.349 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCOC[C@H]1C 1507793755 BQHMIKTYQSRTPV-LMNJBCLMSA-N 475.615 2.402 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1507808721 UVOZYWRLAOQHKS-XUSKPFNFSA-N 450.580 2.368 30 10 JEEE C=C(Cn1c([C@H](C)OCCOC)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1)c1ccccc1 1507853176 AQJBFBZKLNOHIP-OALUTQOASA-N 463.604 2.186 30 10 JEEE C=C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1507876575 MNJNOYCBUCPJSM-LJQANCHMSA-N 493.033 2.442 30 10 JEEE CCOC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1516084655 BYDFSOHUEBLZOS-UHFFFAOYSA-N 453.591 2.278 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)C)n2C[C@@H]2CCCS(=O)(=O)C2)c1 1539042216 CTDNVNLAPQBNLS-IBGZPJMESA-N 457.600 2.358 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCC(=O)N[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1539231251 QDTVSLJNLBPGGG-RCLSDMTESA-N 493.674 2.128 30 10 JEEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(Oc2cccnc2)c(F)c1 1539238829 CQDXULPWYVYPIE-KRWDZBQOSA-N 482.541 2.336 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](C)N1CCc2ccccc2C1 1539395620 FHEASGDSFTVAFF-HXUWFJFHSA-N 473.581 2.458 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(C(=O)N3CCCC3)n2C[C@H]2CC=CCC2)n1 1539423163 SXRSSPUZUVKMIM-FQEVSTJZSA-N 451.575 2.353 30 10 JEEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2CCCN2C[C@H](C)O[C@H](C)C2)CC1 1539459296 CORRUFWWFURGPR-ZRZAMGCNSA-N 466.630 2.154 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2Cc2cc(F)ccc2SC)CC1 1539488118 HUBLRUUACCDYIA-UHFFFAOYSA-N 484.601 2.276 30 10 JEEE C=CCCOCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCO[C@H](C(=O)NC)C1 1540028595 GNGWFIAOXFJRPD-SFHVURJKSA-N 494.390 2.260 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2C[C@@](C)(O)CC)C1 1540883891 GOVFIDRMZCUVHD-JTSKRJEESA-N 462.620 2.489 30 10 JEEE CC(C)NC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2nccs2)CC1 1541705433 DAECQVLKVUMUEN-UHFFFAOYSA-N 494.625 2.075 30 10 JEEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(N(C)C)CCSC1 1541893849 CXFYOXKVJLNLPV-HTAPYJJXSA-N 492.671 2.035 30 10 JEEE CC[C@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC1CCN(C(C)=O)CC1 1545545923 HCXSAXGDUFPGEK-ZWKOTPCHSA-N 465.606 2.427 30 10 JEEE CS[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1555845219 HGBAEHFGZKPDJV-ROUUACIJSA-N 483.642 2.269 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1[C@@H]1C[C@H]1CF)[C@H]1CCS(=O)(=O)C1 1588034560 IMLIZBIAERZDGD-AEGPPILISA-N 470.368 2.203 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1CCC1(O)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1588041145 VEMCHILYBNQGDM-QGZVFWFLSA-N 496.992 2.296 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@H](N2CCOCC2)C(F)(F)F)CC1 1588769679 XCHZKPGTXRFCDA-NRFANRHFSA-N 487.530 2.225 30 10 JEEE C#CCN1CCN(c2nnc(-c3cnccn3)n2C[C@@H](c2ccccc2Cl)N(C)C)CC1 1588806570 VNKYETCDYIFTOP-NRFANRHFSA-N 450.978 2.447 30 10 JEEE C#CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)CC1CCOCC1 1589053616 RGZYNZNYWFJQEA-UHFFFAOYSA-N 462.645 2.467 30 10 JEEE C=C(Br)Cn1c(Cc2ccsc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1589434547 LONZAYBPLCGFRT-AWEZNQCLSA-N 465.377 2.312 30 10 JEEE C=C(C)COCCn1c(Cc2ccsc2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1593757969 RUMXQGJCDFLYGX-HXUWFJFHSA-N 495.671 2.154 30 10 JEEE C=C(Cl)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1593900523 MWIOMGXMWUXVJM-SFHVURJKSA-N 458.950 2.297 30 10 JEEE C=CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1594687005 AYFZKDWSYGVEQK-UHFFFAOYSA-N 492.422 2.186 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1OCC[C@H]1C 1595114933 BDQJTCROFOZIHK-NRSPTQNISA-N 475.615 2.229 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccc(C)o1)N1CCOCC1 1595219188 RPGFGRQFDAPYKO-UXHICEINSA-N 475.615 2.334 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 1595496742 FTJAAUMQVQKAHE-HXUWFJFHSA-N 497.625 2.306 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2Cc2nncn2C)C1 1595721873 HHTCLPLRDJLLBH-QZTJIDSGSA-N 472.594 2.351 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1595805205 LVDGBLPXKBHXOO-IXFSTUDKSA-N 478.590 2.382 30 10 JEEE C=CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN2C(=O)CC[C@H]2C1 1595851273 ZPOILUVIFYKWEL-KRWDZBQOSA-N 461.613 2.079 30 10 JEEE C[C@H]1COCCN1CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)C[C@@H](C)C#N 1596781790 FCJWFCFMWJUZKP-IRXDYDNUSA-N 459.982 2.178 30 10 JEEE CCOc1ccc(NS(=O)(=O)c2cc(C(=O)NCCn3cnc(C#N)n3)ccc2C)cc1 1627023028 AOEHJTAHYIBBEC-UHFFFAOYSA-N 454.512 2.088 30 10 JEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H](C)c1ccc(N2CCCNC2=O)cc1 1628727679 GJRUJZQEOZAHJG-CVEARBPZSA-N 455.540 2.022 30 10 JEEE C=CC[C@]1(C(=O)N2CCC(C(=O)NCC(=O)OCC)CC2)CCCN1C(=O)OC(C)(C)C 1631098981 LZVNWOJBHSLWKI-HSZRJFAPSA-N 451.564 2.250 30 10 JEEE CC(C)(C)O[C@@H]1C[C@H](NC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)[C@@H]1n1cccn1 1634918109 AMKGNBPADKCTBD-BURNTYAHSA-N 450.543 2.352 30 10 JEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C[C@@H]2CCCc3ccccc32)C(=O)OC)c1 1638154825 AZVLHJXTMLPOHP-AVRDEDQJSA-N 454.548 2.380 30 10 JEEE C#CC[C@H]1CCN(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)C1 1641288075 DBRQQRVSBVUPMV-FQEVSTJZSA-N 459.612 2.295 30 10 JEEE C=CCOC[C@H](NS(=O)(=O)c1cc(Br)cc(Br)c1)C(=O)OC 1655132568 XHEQPEJCEXOQQE-LBPRGKRZSA-N 457.140 2.234 30 10 JEEE N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)Cc3c(F)cccc3Cl)CC2)cc1 1661280532 CCTPSUIVFBLKOJ-UHFFFAOYSA-N 457.936 2.187 30 10 JEEE C#CCN(C(=O)N[C@@H](C)c1cc2c(cc1Br)OCCO2)[C@H]1CCS(=O)(=O)C1 1675471049 NSSJMGKGFOBZOC-STQMWFEESA-N 457.346 2.113 30 10 JEEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1c(C)nn(Cc2ccccc2)c1C 1690025373 OIQPEMGLKKAPLB-UHFFFAOYSA-N 455.566 2.383 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@H]2CCC=CO2)CC1 1690124084 FANXFSDVZCPEJF-VQTJNVASSA-N 472.590 2.034 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCCN(c2nc(C)ns2)CC1 1690673097 OAIFSFFGBNYJBL-UHFFFAOYSA-N 482.614 2.056 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)CCC(=O)NC 1690717860 SHPFQXNARUJFRF-UHFFFAOYSA-N 465.645 2.449 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1690729097 GJPUNJQTKUYQJQ-HSZRJFAPSA-N 489.598 2.106 30 10 JEEE CCNC(=O)c1cccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@@](C)(C#N)C2)c1 1695930086 BHSVEADBPUCKFD-XXBNENTESA-N 470.599 2.108 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@H](C1CC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1705570802 RDEORXYNQZNCAH-LAUBAEHRSA-N 477.581 2.114 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1CCN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1705571353 YHYHGKWUMUGKKL-HXUWFJFHSA-N 459.591 2.121 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cc(Br)c[nH]3)n2Cc2ccn(C)n2)n1 1705631381 CEAXKMBNEXMNPD-UHFFFAOYSA-N 498.389 2.300 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)ccc3Br)n2CC2([S@](C)=O)CC2)CC1 1705634177 MATUIFHMXANDQP-PMERELPUSA-N 492.443 2.383 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@H]2[C@@H](C)CCN2C(=O)OC(C)(C)C)CC1 1705634818 JYQFRFUMEYQIKD-ACRUOGEOSA-N 490.649 2.403 30 10 JEEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H]1c1nncn1C 1705663660 BHPUIEDVVSGTIM-HNNXBMFYSA-N 456.601 2.106 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)CN1CCOCC1 1705864789 MVYZRRFFSBWEBA-PZJWPPBQSA-N 491.633 2.480 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCN2C[C@@H](C)C[C@@H](C)C2)C1 1705926182 ZJDHJQCGUBIPCK-PLACYPQZSA-N 465.664 2.330 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC[C@@H](C(=O)OC)C1 1705937551 XLNQPKUGHZQDDV-QGZVFWFLSA-N 471.583 2.340 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CC(C)(C)c1ccc2c(c1)OCCO2 1706870625 FUZSYFDWFDHXMQ-QRQCRPRQSA-N 492.577 2.079 30 10 JEEE CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCC[C@H]2C(=O)N(C)C)C[C@H]1C 1710277260 AWIRJMBQXZFRQE-OFNKIYASSA-N 478.645 2.290 30 10 JEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2ccccc2OC)CC1 1722317586 UFRZBZIUPTWYHS-OAQYLSRUSA-N 471.627 2.315 30 10 JEEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCN([C@@H](C)c2nc(CC)no2)CC1 1722318576 QETLENAWOQULLQ-SFHVURJKSA-N 454.579 2.033 30 10 JEEE C#CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1722329790 NPJZMDGPXVXCLH-UHFFFAOYSA-N 467.570 2.451 30 10 JEEE C#CCCCn1c(COc2ccccc2CC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1722339872 FPMZAPCGRAAGTE-IBGZPJMESA-N 450.543 2.306 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1Cc1nc(C(C)C)cs1)[C@H]1CCS(=O)(=O)C1 1722358954 NXJUMCZBFLRXKN-INIZCTEOSA-N 499.622 2.180 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@H](C)N1CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1722362297 SNAGKBVNUUVDFH-GIVPXCGWSA-N 470.643 2.396 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(F)ccc2Br)n1Cc1ccc(C(N)=O)nc1 1722422592 YVALDMAHRIQEGQ-UHFFFAOYSA-N 487.333 2.475 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CCCCS2)CC1 1722450011 UBOKBNXJAUFFJS-HXUWFJFHSA-N 455.632 2.391 30 10 JEEE C#CCSCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCN(C(=O)NC)CC1 1722457318 AYDHBQRANYLPHA-UHFFFAOYSA-N 451.556 2.428 30 10 JEEE C=C(Br)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1722487299 LYNRDORADDUFML-GOSISDBHSA-N 465.377 2.037 30 10 JEEE C=C(Cl)Cn1c(N2CCN(CC(=O)N[C@H](C)CC)CC2)nnc1[C@]1(OC(C)C)CCOC1 1722558752 XIFUSCFIDHTKBS-GCJKJVERSA-N 469.030 2.108 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC(Cn2ccnn2)CC1 1722688802 LUISYCAZBVDRPN-KRWDZBQOSA-N 468.537 2.368 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCCc2ccccc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1722729924 BDSLUXDJQHYDPH-RTWAWAEBSA-N 471.627 2.017 30 10 JEEE C=CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC(=O)N(C)[C@H](C)C1 1722732856 RBKWRLOTJBEMCN-OAHLLOKOSA-N 463.007 2.448 30 10 JEEE CC(C)COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCOCC2)CC1 1723478356 ALKIXGYNEIOXFY-UHFFFAOYSA-N 468.558 2.273 30 10 JEEE CCN1CCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1728575438 IDDABGPTZATMPO-CTNGQTDRSA-N 471.631 2.067 30 10 JEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](COc2ccccc2)C1 1740574801 NNPXIILXXVPLIC-IFMALSPDSA-N 487.626 2.320 30 10 JEEE C#CCN(c1nnc(C(C)C)n1Cc1ccnc(OCC(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 1740617328 PPUIXGREPHUJKE-INIZCTEOSA-N 471.505 2.413 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1CCN1CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1740621374 WHANEWSNTVMMFO-RBUKOAKNSA-N 487.626 2.073 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCCSc1ccccc1)[C@H]1CCS(=O)(=O)C1 1740622308 XCBPUIDDVKMLKN-IBGZPJMESA-N 470.624 2.488 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CCCOC1CCCC1)[C@H]1CCS(=O)(=O)C1 1740625157 MTNSVQXMLQLRSZ-FQEVSTJZSA-N 457.600 2.240 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3)n2Cc2ccc(C(N)=O)nc2)CC1 1740698036 QAGAXEQXJOROQR-UHFFFAOYSA-N 480.370 2.005 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCN(C)[C@@H](C)CC)CC1 1740704666 VXFUAOWFWAVODX-SFHVURJKSA-N 466.586 2.370 30 10 JEEE C=C(C)COCCn1c(-c2ccc3ccccc3n2)nnc1N1CCO[C@H](CNC(C)=O)C1 1740789532 GIPIBTPVCJSAMF-HXUWFJFHSA-N 450.543 2.427 30 10 JEEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1740952663 KIPZAIUSTKQWHB-FCEUIQTBSA-N 452.603 2.279 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCN(C(=O)OCC)CC1 1740953860 SYNGZYGZORMJLL-UHFFFAOYSA-N 495.353 2.427 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1740956515 UBUYDWREDZMKDZ-UHFFFAOYSA-N 482.976 2.334 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@@](C)(O)c1ccc(F)cc1 1741918777 DANULIUUYHBLQX-YCRPNKLZSA-N 464.567 2.065 30 10 JEEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1745883209 BPCRIKCWUVROMG-HXUWFJFHSA-N 459.558 2.190 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@H](C)c1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 1748811535 IFONGJDLRJHHHP-RXVVDRJESA-N 452.584 2.417 30 10 JEEE C#CCN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(NC(=O)OC(C)(C)C)COC1 1748907899 PGFQUHYAGDOCSK-HSZRJFAPSA-N 463.579 2.072 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](OCC2CC2)C1 1749119468 SJPPWPKMNUREMJ-LMCOJAPRSA-N 467.636 2.265 30 10 JEEE C=C(C)COCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1749211417 YGZRGODJDWVLSL-HSZRJFAPSA-N 488.976 2.485 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCCN(C(=O)C2CC2)CC1 1749658663 TYPMGBHGZCDSKB-UHFFFAOYSA-N 496.612 2.492 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(C(F)(F)F)CC1 1749658925 YNCPGOAEDDSCFW-UHFFFAOYSA-N 461.452 2.002 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(OC)c(OCC)c2)C1 1749712771 LKPJZPXAXKQBDB-OALUTQOASA-N 476.599 2.417 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccccc1OC(C)C)[C@@H]1CCS(=O)(=O)C1 1760186430 CMOGILCWDLVOAV-WOJBJXKFSA-N 458.584 2.244 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)cn3C)n2CC2CCOCC2)CC1 1760266795 MNCFLXHGQATIQG-UHFFFAOYSA-N 489.418 2.439 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](c2ccccc2)N(C)C)CC1 1760271232 QRNBRAPXNRSTCO-DEOSSOPVSA-N 488.640 2.408 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCCN(CCC)C(=O)C1 1760313314 LZVVAGICYQYOPF-RXVVDRJESA-N 467.574 2.355 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3nn(CCC)c(=O)c4ccccc34)n2CC(=O)N(C)CC)C1 1760545102 NMELCTPZMUAXPT-SFHVURJKSA-N 479.585 2.325 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(F)cc2Br)nnc1N(C)[C@@H](C)CC(N)=O 1760553780 ZMYTYUDARXWOCA-LBPRGKRZSA-N 488.383 2.148 30 10 JEEE CC[C@H](C)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1CC1(C(N)=O)CCOCC1 1761875380 BGCHZUMECGOWMA-SFHVURJKSA-N 451.575 2.272 30 10 JEEE CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 1767814521 AQWMMFYRSYGAMO-SFHVURJKSA-N 483.573 2.216 30 10 JEEE CN(Cc1cccc(C#N)c1)c1nnc(C2CCC2)n1CCNS(=O)(=O)Cc1ccon1 1768659655 GZMUHOPGPJYOFV-UHFFFAOYSA-N 455.544 2.161 30 10 JEEE N#Cc1cccc(C(=O)Nc2ccc(NS(=O)(=O)CCN3C(=O)c4ccccc4C3=O)nc2)c1 1858277913 UTXLGEBLDWICAX-UHFFFAOYSA-N 475.486 2.243 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)COc2cccnc2NC(=O)N2CCC[C@@H]2C(=O)O)nc1C 1858793008 ZVJMLVVJBXLFIN-CYBMUJFWSA-N 489.510 2.288 30 10 JEEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc3c(c2)OCCO3)c1 1862704560 CRWMSXBOMKUUJA-HSZRJFAPSA-N 480.517 2.377 30 10 JEEE COc1cc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2CCO)cc(OC)c1OC 1862762171 COLBHFXVICXUPB-GOSISDBHSA-N 458.423 2.191 30 10 JEEE COC(=O)CSc1nnc([C@H]2CC(=O)N(c3ccc(OC)cc3)C2)n1/N=C/c1ccccn1 1874200468 BNOXQIUZIRBZPH-ZWGXDWAISA-N 466.523 2.350 30 10 JEEE COC(=O)CSc1nnc([C@H]2CC(=O)N(c3ccc(OC)cc3)C2)n1/N=C/c1ccc(O)cc1O 1874201195 UVDZHGVWTYSOGL-OWLNGIFZSA-N 497.533 2.366 30 10 JEEE CN1CCN(CC#CCOC2CCN(C(=O)c3cc(-c4ccc(F)cc4F)nn3C)CC2)CC1 1889550349 WYCZFQVSZPNYQC-UHFFFAOYSA-N 471.552 2.237 30 10 JEEE CC(C)N1C(=O)CS[C@H](C(=O)N2CC[C@H](Oc3ncccn3)C2)[C@H]1c1ccc(C#N)cc1 1891291327 UKSROAVGLCYZHJ-TYPHKJRUSA-N 451.552 2.422 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](CC(=O)NCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2185163753 QIAQTXPANIREGG-IEBWSBKVSA-N 460.380 2.220 30 10 JEEE C#CCOCCOCCNC(=O)c1ccc(I)c(Br)c1 2189862092 ZOWRNBASGRYQHL-UHFFFAOYSA-N 452.086 2.450 30 10 JEEE CC1(C)OB(c2ccc(O)c(C(=O)NC3CN(C(=O)OCc4ccccc4)C3)c2)OC1(C)C 2248032755 OBCVASUJGSWGIL-UHFFFAOYSA-N 452.316 2.442 30 10 JEEE CC(C)(CNC(=O)OC(C)(C)C)NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2255931095 FYGBZWFXZPQBFX-UHFFFAOYSA-N 475.442 2.165 30 10 JEEE CC(C)(C)OC(=O)N1CCSC[C@H]1C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2256625256 ULLVUBFGWUQJAH-AWEZNQCLSA-N 469.438 2.411 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2C[C@H](NC(=O)OC(C)(C)C)CC[C@@H]2C(=O)O)C1 2266509927 KGIOVIJDBYNEJA-PKJDUHKXSA-N 465.547 2.262 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)[C@H]2C[C@H](B3OC(C)(C)C(C)(C)O3)C2)[C@H](S(C)(=O)=O)C1 2267122746 OGFAEHUSWGDGJH-KLHDSHLOSA-N 472.413 2.008 30 10 JEEE Cc1ccc(S(=O)(=O)N[C@@H]2CON(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2267353641 MDTKYGWYPNOSDL-HNNXBMFYSA-N 468.381 2.123 30 10 JEEE C[C@H]1C[C@H](NC(=O)C(F)(F)F)CCN1S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2267371665 DISAFJRGUZXEFN-NWDGAFQWSA-N 482.355 2.267 30 10 JEEE C[C@@H](CNS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1)CN(C)C(=O)OC(C)(C)C 2267375353 GGOQJOTYQOOGGV-HNNXBMFYSA-N 469.413 2.162 30 10 JEEE CC(C)(C)OC(=O)NC/C=C/CNS(=O)(=O)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2267410689 NLLGJYYQDQOZKZ-CMDGGOBGSA-N 466.409 2.486 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@H]1C[C@H]1NC(=O)OC(C)(C)C 2267707021 JSKDKPBGGXIQQO-NVXWUHKLSA-N 466.409 2.486 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CCO)C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2269683983 SDEXYOHEUXOQAR-QGZVFWFLSA-N 452.332 2.017 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)Cc3nccn3C2)C1 2281228060 KQWZAWBNUZRXBI-VTPMOLMCSA-N 473.574 2.425 30 10 JEEE Cn1cc(C(=O)N[C@@H]2[C@H]3CCCCN(C(=O)OC(C)(C)C)[C@H]32)c(B2OC(C)(C)C(C)(C)O2)n1 2281980693 KJQDZGMOPFVQPS-DJIMGWMZSA-N 460.384 2.237 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CCOC[C@H]2NC(=O)OCc2ccccc2)n1 2282005610 QJCOUUGFBITQDI-VQTJNVASSA-N 498.389 2.016 30 10 JEEE CC(C)(C)OC(=O)NCC12CC(CNC(=O)c3ncsc3B3OC(C)(C)C(C)(C)O3)(CO1)C2 2282028707 IHEMBLYRHKMIHB-UHFFFAOYSA-N 479.408 2.246 30 10 JEEE Cn1nc(C(=O)N2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@]3(C)C2)cc1B1OC(C)(C)C(C)(C)O1 2282052389 NPNZSOVOYPGGFI-IQMFZBJNSA-N 460.384 2.048 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)CC12CC2 2282053352 UOCPRFDYVRUQOM-OAHLLOKOSA-N 460.384 2.381 30 10 JEEE CC(C)(C)OC(=O)NCc1nc(=NS(=O)(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)s[nH]1 2282342393 GUTTWHXUZODMIJ-UHFFFAOYSA-N 496.420 2.085 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2CN(C(=O)C3(B4OC(C)(C)C(C)(C)O4)CCC3)CCN2C1=O 2282485210 OSMJVOSOVXDHSL-HZPDHXFCSA-N 463.384 2.339 30 10 JEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)C1NC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2282587074 HZSKJEBZLGFPPI-GJZGRUSLSA-N 462.400 2.341 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](C(=O)O)N(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)C1 2282634263 KADIQQQGPQCMLN-KGLIPLIRSA-N 464.324 2.161 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NCC1(O)CCN(Cc2ccccc2)CC1 2282680041 ISCZMPWCRZAICH-UHFFFAOYSA-N 453.392 2.081 30 10 JEEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCN(Cc2ccccc2)C(C)(C)C1 2282700171 OGAFXQMLFIWKEP-SFHVURJKSA-N 453.396 2.287 30 10 JEEE CN(CC1CCN(C(=O)OC(C)(C)C)CC1)C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2282710012 IFGFXQFYLJJRCI-UHFFFAOYSA-N 460.384 2.495 30 10 JEEE CC1(C)OB(c2sccc2CS(=O)(=O)N2CCC[C@@H](CNC(=O)C(F)(F)F)C2)OC1(C)C 2282870131 NGNIBIOMYCIGDJ-ZDUSSCGKSA-N 496.382 2.268 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2CCN(C(=O)c3nccnc3B3OC(C)(C)C(C)(C)O3)C[C@@H]2C1 2283067058 ARYXKJJRYANADT-HZPDHXFCSA-N 458.368 2.105 30 10 JEEE Cn1nccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2283980780 DLVYXDZRYFSKSU-MRXNPFEDSA-N 477.396 2.058 30 10 JEEE CC(C)(C)OC(=O)NC[C@H](C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1)[C@@H]1CCOC1 2284044044 ZRMQQTDQWPNUBV-WBVHZDCISA-N 461.368 2.497 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@@H](OCC(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)C1 2284047567 JESBHBDGRRWGIL-OAHLLOKOSA-N 481.424 2.475 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CC(C(=O)NCc2ccccc2B2OC(C)(C)C(C)(C)O2)=C[C@H]1O 2284055818 ZROLBVADXRPZKC-RTBURBONSA-N 458.364 2.186 30 10 JEEE CC(C)(C)OC(=O)N[C@]1(C(=O)N2CCc3sc(B4OC(C)(C)C(C)(C)O4)cc3C2)C[C@H](O)C1 2284059202 FAHKRJDSARPMTK-GUJKFWMDSA-N 478.420 2.350 30 10 JEEE CC1(C)OB(c2cc(C(=O)NC3(C(=O)O)CCN(Cc4ccccc4)CC3)co2)OC1(C)C 2284477204 UEGNUFORTVLDST-UHFFFAOYSA-N 454.332 2.428 30 10 JEEE CN[C@H](C#Cc1ccc(Br)cc1)[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 2296304519 IGLVNYDRIMPYFA-SJORKVTESA-N 457.390 2.423 30 10 JEEE Cc1nn(C)c(C)c1C(O)=C1C(=O)C(=O)N(CCN2CCOCC2)[C@H]1c1cccc(Cl)c1 2296612489 MKFFVEIHAHFKAJ-FQEVSTJZSA-N 458.946 2.444 30 10 JEEE Cc1c(C=C2SC(=S)N(CCC(=O)O)C2=O)c(N2CCC(C)CC2)n(C)c(=O)c1C#N 2314457768 XJZGMVRKIHQPNU-UHFFFAOYSA-N 460.581 2.478 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](CNC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)OCC12CC2 2362571042 HVIONAZDILZQBS-CQSZACIVSA-N 479.408 2.341 30 10 JEEE COc1ccc(/C=N/Nc2nnc(SCC(=O)Nc3ccc(OC)cc3OC)n2N)cc1 20292950 GAWUBIZDPPVIHN-SSDVNMTOSA-N 457.516 2.195 30 10 JEEE Cc1nn(C)c(C)c1/C(O)=C1/C(=O)C(=O)N(CCN2CCOCC2)[C@@H]1c1cccc(Cl)c1 102745367 MKFFVEIHAHFKAJ-GOBJLOIFSA-N 458.946 2.444 30 10 JEEE C#CCN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1)[C@@H]1CCc2ccccc21 108140606 SIWUHFHLVLWEKB-JOCHJYFZSA-N 455.555 2.281 30 10 JEEE C#CCN(C(=O)c1cc(O)nc2ccc(S(=O)(=O)N3CCOCC3)cc12)C1CCCCC1 109325249 BSTNPLQMOQEKBH-UHFFFAOYSA-N 457.552 2.369 30 10 JEEE CCc1cccc(CC)c1N1C(=O)[C@H]2[C@H](C1=O)[C@](CC(=O)O)(C(=O)O)N[C@H]2c1ccc(C#N)cc1 252079440 FFCYWFCAGGMKTE-KKPNIWNPSA-N 475.501 2.431 30 10 JEEE C=CCNC(=O)CN1CCN(C(=O)c2ccccc2SCC(=O)Nc2cccc(OC)c2)CC1 516388668 GQXOWEBLKPUVCE-UHFFFAOYSA-N 482.606 2.486 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)C[S@@](=O)CC(=O)OCCOc2ccccc2)nc1C 586303583 MOPSHRJOFORUMO-WJOKGBTCSA-N 466.537 2.104 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)C[S@](=O)CC(=O)Nc2cccc([N+](=O)[O-])c2)nc1C 586348905 HUAUATGFWJJZQF-WJOKGBTCSA-N 466.497 2.028 30 10 JEEE C=CCN(C(=O)CN1C(=O)N[C@@](C)(c2ccc(OC)cc2)C1=O)c1nc(C(=O)OCC)cs1 749129071 SPEVZHSWJLWQIP-QFIPXVFZSA-N 472.523 2.315 30 10 JEEE C=CCN(C(=O)CN1C(=O)N[C@@](C)(c2ccc(F)cc2)C1=O)c1nc(C(=O)OCC)cs1 920243453 QTQGAQISYLVIJE-NRFANRHFSA-N 460.487 2.445 30 10 JEEE CC(CC(C)C)=NNc1nc(SCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)n[nH]1 1084267715 KDDOPXDGTLQNQL-UHFFFAOYSA-N 495.631 2.390 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNc1ncc(Cl)cc1Cl 1286295625 JTFZXFRNIJHTOY-QWHCGFSZSA-N 457.387 2.452 30 10 JEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 1286323633 KZVQQBHQEHDSFT-RTBURBONSA-N 463.648 2.362 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H](C)Cc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1286389718 PKWYTILMICFNOC-AZUAARDMSA-N 480.594 2.249 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCc1csc(C(C)C)n1)[C@@H]1CCS(=O)(=O)C1 1286390254 ZHRUXMOKZUBDFP-GOSISDBHSA-N 473.628 2.128 30 10 JEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CCC[C@@H]1OC 1286402435 ZMMJFZZVFHMZRW-OALUTQOASA-N 454.600 2.435 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cn2cc(Cl)cc(Cl)c2n1 1286408265 BBZSCYHEKFLDLH-CQSZACIVSA-N 477.377 2.256 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1286491766 ARSTYPMJJKZSRK-FQEVSTJZSA-N 496.587 2.221 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)CCS(C)(=O)=O 1286550132 ZITLGYCFXSIVMX-MJGOQNOKSA-N 496.033 2.324 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1286558880 RRSONCRXOZOQCR-WMZHIEFXSA-N 488.658 2.495 30 10 JEEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(Br)n1)C1CC1 1286732810 ZGCGFEJWCFLGNS-LBPRGKRZSA-N 455.382 2.249 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1286783017 CYKWKLDJRFTWST-GOSISDBHSA-N 454.575 2.245 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1286784941 ZFNJIZCVWNQNMV-OAHLLOKOSA-N 488.390 2.050 30 10 JEEE C[C@@H]1COCCN1CCn1c(CC(C)(C)C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1291308086 HLBWRJVUBKIOKC-LJQANCHMSA-N 452.607 2.181 30 10 JEEE CCCN(C)C[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2COCCO2)C1 1294469658 DVGIUOXDGXHTQS-IFMALSPDSA-N 454.575 2.312 30 10 JEEE CCN(CC)C(=O)CCCn1c([C@H]2CCCCO2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1295318289 GZXWZOHYMNUWBG-OAQYLSRUSA-N 497.648 2.409 30 10 JEEE CCN1CCN(C[C@@H](C)Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N(C)C[C@@H](C)C#N)CC1 1296183588 FYARVBGXINWVPS-VQTJNVASSA-N 487.674 2.218 30 10 JEEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCN1CCOCC1(C)C 1300455417 IOGBXZKFBHWPAI-UHFFFAOYSA-N 463.586 2.416 30 10 JEEE C#CCN(c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(C)(C)CC=C)[C@H]1CCS(=O)(=O)C1 1300490956 CZSXLZWICRHEMF-SFHVURJKSA-N 494.621 2.421 30 10 JEEE C#CCN(c1nnc(CSc2ccc(C)cc2)n1CCC(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 1300504783 SBJRXPMWDCQFOL-LJQANCHMSA-N 489.667 2.420 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@H]2CCC[C@@H](O)C2)CC1 1300725841 FBXUJQRLCXRSDW-DENIHFKCSA-N 465.598 2.394 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)NCc2ccccc2)CC1 1300848580 GXSTVFWOVHGFQB-LJQANCHMSA-N 489.418 2.129 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(OC2CCCC2)CC1 1301043927 FMINMQJNYGFKGJ-SFHVURJKSA-N 474.027 2.292 30 10 JEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2cccc(F)c2)C1 1301223169 OHKFPINAAZIYLU-VQTJNVASSA-N 479.578 2.294 30 10 JEEE C=CCN(CC=C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@]1(C)COCCO1 1301375913 SVHCXKJICRXGQE-QFIPXVFZSA-N 461.588 2.179 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1301569222 TWNABECDEKXTHR-GJYPPUQNSA-N 452.552 2.365 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1301578194 UCKKTRUVWAPFIX-UHFFFAOYSA-N 477.594 2.135 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCC(CN2C[C@H](C)O[C@H](C)C2)CC1 1301587087 XLCFQVMLEZHDBV-KDURUIRLSA-N 465.664 2.472 30 10 JEEE CCOC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)C2CC2)C1 1314029669 CQRWZLHLSWQTLU-IBGZPJMESA-N 451.531 2.058 30 10 JEEE COC(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CCCC2)C1 1315101735 AKHDSURSZBHKCT-GOSISDBHSA-N 487.582 2.085 30 10 JEEE CCOC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](CC#N)c3ccccc3)CC2)cc1 1350510077 GPMDVWWTMJHEJP-NRFANRHFSA-N 455.536 2.394 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1cccnc1OCC(F)F 1358879947 BFHYRIZKJJOAEF-OAHLLOKOSA-N 465.468 2.466 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)CC)n2CCCN2CCN(c3ccncc3)CC2)CC1 1359029114 OTDNWTYWACHHSZ-JOCHJYFZSA-N 450.635 2.154 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CC2(S(C)(=O)=O)CCC2)CC1 1359032918 IPEWKXPNPWDENH-UHFFFAOYSA-N 487.626 2.075 30 10 JEEE C=C(Br)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(CC(=O)NC2CC2)CC1 1359084648 OCMOLFNFIYRENV-UHFFFAOYSA-N 495.372 2.456 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)COC)CC1 1359093249 LJSKJICJGLFFEZ-SIKLNZKXSA-N 455.559 2.230 30 10 JEEE C=C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCCN2CCOC2=O)CC1 1359161646 MBRNGXVJXOFIAD-UHFFFAOYSA-N 474.587 2.194 30 10 JEEE C=CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1359205971 PZVTZXDEKRASRN-FGZHOGPDSA-N 485.677 2.383 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1359297150 HFEQAUDFSPTGBT-WOJBJXKFSA-N 497.619 2.013 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1359329813 VSZGVMUWJTZIPX-HXUWFJFHSA-N 470.599 2.160 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCc2cc(OC)c(C)cc2C1 1359331134 OIXROBWCFMBEIB-UHFFFAOYSA-N 454.556 2.216 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@H](C)c1sc(CC)nc1C 1359332180 QWDQSZRWQOAVCU-CABCVRRESA-N 466.633 2.355 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCN(C(=O)OC)CC2)nnc1C1(c2ccccc2)CCC1 1359335453 LZTNUKCHYPKASM-UHFFFAOYSA-N 473.599 2.237 30 10 JEEE C=CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1359338560 ZXCBJWJGKIMGRK-ROUUACIJSA-N 493.611 2.229 30 10 JEEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1359345561 JYLDOOUGHJTTIX-UHFFFAOYSA-N 450.609 2.377 30 10 JEEE CC(=O)Nc1cccc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3ccc(C#N)cn3)CC2)c1 1359408809 AKRDXESRTCKGAL-UHFFFAOYSA-N 487.568 2.016 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1507629998 XXIHSOKHXBELKG-RBUKOAKNSA-N 474.583 2.158 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H](c1cccnc1)C(C)C)[C@H]1CCS(=O)(=O)C1 1507632458 LPMDESSTIPBVFI-HKBOAZHASA-N 457.600 2.244 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1CC[C@H](CO)O1 1507669932 VMLIQLQKRGTBIT-QHAWAJNXSA-N 471.602 2.395 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)Cc1cccs1 1507671743 PBARHPCWZQLTMD-UYAOXDASSA-N 475.640 2.014 30 10 JEEE C#CCN(CCOC)c1nnc(COc2ccccc2F)n1Cc1nnc2n1CCCCC2 1507714903 ZKTFWGIJLQPBAG-UHFFFAOYSA-N 453.522 2.448 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](c2ccsc2)N(C)C)CC1 1507737592 CLHKVYRFMGUPLB-FQEVSTJZSA-N 466.615 2.009 30 10 JEEE C=C(C)COCCn1c(COc2ccc(C)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1507848722 QYHJTTXVSGBCHR-IBGZPJMESA-N 463.604 2.228 30 10 JEEE C=CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1CC1(S(C)(=O)=O)CC1 1508037058 ISTHKKGWNVQWGH-UHFFFAOYSA-N 458.382 2.252 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1508085798 JHGHZKWUGWXQOO-FQEVSTJZSA-N 452.603 2.468 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCS(=O)(=O)C2)C1 1508129886 FXAXUXZNGJEZIL-CTNGQTDRSA-N 471.583 2.335 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2c[nH]c3ccccc23)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1508141223 UPILNDCELQVQFR-INIZCTEOSA-N 477.612 2.041 30 10 JEEE C=CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N(C)CC(=O)N1CCOCC1 1508161554 MMIXFKBCFXRYOD-LJQANCHMSA-N 459.572 2.005 30 10 JEEE CO[C@H]1COCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(C)C)C(=O)C1 1518637386 DOIASLYKFHAFBB-RTWAWAEBSA-N 452.559 2.173 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1Cc1nnc(C)s1)[C@H]1CCS(=O)(=O)C1 1539202862 LQGJPAGOMXAKLQ-YOEHRIQHSA-N 490.586 2.392 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H](C)Oc1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1539212212 SXUXKIUAHNRSRW-RTBURBONSA-N 481.578 2.443 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@@H]1CCN(CC)C1)[C@H]1CCS(=O)(=O)C1 1539220898 WHPITLBKWYBWBA-IRLDBZIGSA-N 455.628 2.146 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1ccccc1COC)[C@@H]1CCS(=O)(=O)C1 1539224435 HBOIHDSVQIQOFN-JOCHJYFZSA-N 465.579 2.085 30 10 JEEE C#CCN(c1nnc(COCC)n1CCc1c[nH]c2ccc(F)cc12)[C@@H]1CCS(=O)(=O)C1 1539230865 MONSUCKTOIGMPF-GOSISDBHSA-N 459.547 2.304 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCNC(=O)c1cccs1 1539268187 ICGSJDNHFLJEDF-SFHVURJKSA-N 498.609 2.151 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1([S@](C)=O)CCC1 1539315922 ZDYKUDQYVNMDJY-UMSFTDKQSA-N 476.606 2.439 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1539492105 ZTOITENZYHOSKL-QGZVFWFLSA-N 466.571 2.442 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCC(=O)N1 1540120103 JOCRSYQOYWKYJO-LJQANCHMSA-N 456.510 2.268 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCC(N2CCNC2=O)CC1 1540866505 PERWZZGMNDYJCW-UHFFFAOYSA-N 497.600 2.037 30 10 JEEE C=CCOc1ccc(Cn2c(-c3cnccn3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)cc1 1540878463 YBTIBOZWYRWMIP-LJQANCHMSA-N 454.556 2.362 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1540893550 FOSITHGAYWDZPJ-QUCCMNQESA-N 463.579 2.071 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCCN(c2ncccc2F)CC1 1540900820 JGCSMEVMNMJGLM-UHFFFAOYSA-N 471.562 2.192 30 10 JEEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 1547253391 GCRNLWBYDUEFTI-GOSISDBHSA-N 464.530 2.427 30 10 JEEE CNC(=O)CCCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H](C(C)C)N1CCOCC1 1554462343 CQUXCCRUXUVTJH-NRFANRHFSA-N 453.591 2.136 30 10 JEEE N#C[C@]1(F)CCN(c2nnc(Cc3ccccn3)n2CCNC(=O)Cc2cccc(F)c2)C1 1555985070 HXBSMIGRVINPGW-HSZRJFAPSA-N 451.481 2.204 30 10 JEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)COc3ccc(C)cc3)CC2)c1 1584564510 UIRBISUPDDBNIH-UHFFFAOYSA-N 454.548 2.155 30 10 JEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@H](c1ccc(Cl)cc1)n1cccn1 1587527532 GSAUBKUSWBDEGN-FOIQADDNSA-N 457.943 2.481 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CCn1cc([C@@H]2CCOC2)cn1 1587667139 CTDSWMBOWBBFQM-IAGOWNOFSA-N 453.572 2.128 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1CC1CCN(c2ccncc2)CC1)[C@@H]1CCS(=O)(=O)C1 1588059576 QKZFUTCYTAQJOH-JOCHJYFZSA-N 470.643 2.415 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCOCCS(C)(=O)=O 1588099391 LYWSIJGCGPOWRO-QGZVFWFLSA-N 460.625 2.265 30 10 JEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC(O)(Cc2ccc(F)cc2)CC1 1588976356 VOUXMGKKXIVIPE-UHFFFAOYSA-N 459.591 2.496 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1595501272 OACMXGCBHCQEBC-UHFFFAOYSA-N 493.656 2.289 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CCN2[C@@H](C)CC[C@@H]2C)CC1 1595517503 ZOBPNKRYXMBPDW-SFTDATJTSA-N 476.629 2.114 30 10 JEEE CC(C)(C)C(=O)NCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1596956951 BFLFETJEBJFWQC-LJQANCHMSA-N 484.626 2.383 30 10 JEEE Cc1nccn1CCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1612443543 FNKSZGUOSIQMKO-UHFFFAOYSA-N 479.564 2.349 30 10 JEEE C/C=C/C=C/C1=C2C(=O)[C@@]3(C)[C@H]4C(C(=O)C[C@@H](O)/C=C/C)=C(O1)[C@@]1(C)[C@H]2[C@@]2(C)O[C@@]1(O)[C@@]4(C)O[C@]32O 1616182183 ATAIRWBABKGUFL-ZZVIDXBVSA-N 496.556 2.363 30 10 JEEE biogenic CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(N2CCCS2(=O)=O)c(F)c1 1633403694 KSGIFHBMANJNPI-KRWDZBQOSA-N 453.536 2.289 30 10 JEEE COC[C@@H](C)n1c(SCC(=O)N2CCN([C@H](C#N)C(C)C)CC2)nc2ccccc2c1=O 1652444120 BSWOWDUSQRJECR-YLJYHZDGSA-N 457.600 2.388 30 10 JEEE CN1C(=O)c2cccc3c(S(=O)(=O)N[C@H]4CN(C(=O)OC(C)(C)C)C[C@@H]4C#N)ccc1c23 1654905446 HLEMKMTUMJXGGH-BBRMVZONSA-N 456.524 2.467 30 10 JEEE C#CCOc1ccc(CNC(=O)N2CCCN(S(=O)(=O)c3ccc(OC)cc3)CC2)cc1 1686550584 XXSHJDFNNJKRDV-UHFFFAOYSA-N 457.552 2.313 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OCC)CCOC3)n2Cc2c(C)nn(C)c2C)c1 1689868765 QEOMDGXCTZAIDU-SANMLTNESA-N 491.596 2.385 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CCCN2CCCCCC2=O)c1 1689870278 IWLOBGFBXXOKGU-NRFANRHFSA-N 491.596 2.078 30 10 JEEE C#CCCCCn1c(Cc2csc(C)n2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1689898178 WDUAJRKCJZWEID-UHFFFAOYSA-N 497.669 2.378 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1CCCN1CCCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1689986127 JDDFYQOXWZZSHC-TZIWHRDSSA-N 456.616 2.231 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1nncn1C 1690045147 GNAIIGOEWRUQCI-SFHVURJKSA-N 452.563 2.032 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2CC2(O)CCCCCC2)CC1 1690137471 ZUOBUAJUEXNYQB-UHFFFAOYSA-N 472.634 2.248 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1690249119 UJTYAIGUGLFGBO-KNQAVFIVSA-N 474.631 2.011 30 10 JEEE C=C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCN2CCN(C(C)=O)CC2)CC1 1690366179 SFULFTCKCFEXPY-UHFFFAOYSA-N 462.396 2.356 30 10 JEEE C=CCC(C)(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1690424529 RPHZDTWJCOKUPM-UHFFFAOYSA-N 499.645 2.289 30 10 JEEE C=CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(C(=O)OC)CC1 1690460948 RKOLLAARKPOYQO-UHFFFAOYSA-N 461.592 2.483 30 10 JEEE C=CCN(c1nnc(C(=O)N2CCCC2)n1CC[C@H](N1CCOCC1)C(F)(F)F)C1CC1 1690536472 ZRJUOTGVXBNXRV-KRWDZBQOSA-N 456.513 2.322 30 10 JEEE C=CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CC[C@H](CO)O1 1690611357 JNZCECFMRRDFTI-JKSUJKDBSA-N 454.369 2.225 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(O)CCC1 1690622162 JIICAFURSFWNIC-QGZVFWFLSA-N 451.568 2.140 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)CCN2C[C@H](C)O[C@H](C)C2)cc1 1690680102 IWWPFSTUBYFXPL-JQVVWYNYSA-N 468.602 2.388 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCCNc1ccccn1)[C@@H]1CCS(=O)(=O)C1 1705564188 AXIFVAGJPNUUPG-MOPGFXCFSA-N 458.588 2.044 30 10 JEEE C#CCN(c1nnc(-c2cnn(-c3ccccc3)c2)n1CCCOCC)[C@H]1CCS(=O)(=O)C1 1705565970 LBPOYYJYXIDBBN-NRFANRHFSA-N 468.583 2.184 30 10 JEEE C#CCN(CC#CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCN1CCCC1 1705600965 RUXIFXADNOCITI-UHFFFAOYSA-N 459.642 2.202 30 10 JEEE C#CCN(CCOC)c1nnc(Cc2ccc(F)cc2)n1Cc1cccnc1N1CCOCC1 1705629889 ZAZAVKJJBCAXEO-UHFFFAOYSA-N 464.545 2.374 30 10 JEEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@H]2CCCN2CCCO)CC1 1705642051 DYXQOTGAQHZZPR-HSZRJFAPSA-N 466.630 2.076 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCn2cc(C)cn2)CC1 1705643815 AWZBTZBCCLQELC-UHFFFAOYSA-N 488.596 2.318 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCc2n[nH]c(C)n2)CC1 1705645881 IBZSXUDPDSFRML-UHFFFAOYSA-N 482.976 2.242 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1705652226 SKTJBWWTCDABBD-GSHUGGBRSA-N 456.572 2.065 30 10 JEEE C=C(Br)Cn1c(N2CCC(CC(N)=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1705692673 PJOUYSJKLILKNU-LJQANCHMSA-N 456.385 2.319 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCc1cccs1 1705700189 PUVIHEJRWGVMPL-IHPCNDPISA-N 495.671 2.333 30 10 JEEE C=CC1CCN(c2nnc(COc3ccccc3OC)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1705785524 LKRJKZANMGUMPO-KRWDZBQOSA-N 454.531 2.256 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1([S@@](C)=O)CC1 1705864725 KRNTZFAHHLUBNI-NOVUIFNWSA-N 466.604 2.423 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCS[C@@H](C)[C@@H]1C 1705894930 OIUJULSBPMBTIS-GJZGRUSLSA-N 463.007 2.494 30 10 JEEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CCC3)CC2)cc1 1705909820 IXSNFYAJKMWBDJ-SFHVURJKSA-N 474.631 2.176 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2Cc2ccc(C(N)=O)nc2)C1 1705916663 MOLHQHDFZSMDSN-INIZCTEOSA-N 486.374 2.370 30 10 JEEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)c2c(C)noc2C)CC1=O 1712492636 FKKDYQXHEDMGTG-QGZVFWFLSA-N 493.568 2.432 30 10 JEEE CS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1712701147 CSJCDQVBVGMZOI-UHFFFAOYSA-N 486.001 2.160 30 10 JEEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H](c1ccc(C)cc1)N1CCOCC1 1722357561 JCEOTAHKQQRHJV-VABKMULXSA-N 453.587 2.453 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1CCOc1ncccc1F)[C@@H]1CCS(=O)(=O)C1 1722371536 JYASMXGGDWCVIF-LJQANCHMSA-N 499.568 2.405 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OC)cc1C(F)(F)F 1722390997 VZCGIVZMISTTDH-OAHLLOKOSA-N 483.516 2.427 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1722413293 KFSYBTBVGBBAID-JXQFQVJHSA-N 475.590 2.384 30 10 JEEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CC(C)(C)N2C[C@H](C)O[C@H](C)C2)CC1 1722440011 YEPGRAHIRGKERM-KDURUIRLSA-N 471.675 2.277 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](C)CNC(=O)OC(C)(C)C)CC1 1722448086 RGGNLVVAIYAYED-AZUAARDMSA-N 488.633 2.299 30 10 JEEE C#CCSCCn1c(-c2cc(F)ccc2Br)nnc1N1CCN2C(=O)NC[C@@H]2C1 1722451915 JXQSVBRZQLKHEU-CQSZACIVSA-N 479.379 2.427 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(F)c(F)c2)CC1 1722452320 DTSKXQJPMIMTGJ-RXVVDRJESA-N 473.524 2.294 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1722496215 WCXLJKWZDGHLLI-SFTDATJTSA-N 470.599 2.270 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1722693663 WLXGZLRLWWXJCJ-OAHLLOKOSA-N 478.395 2.079 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCC[C@H](CN2CCOCC2)C1 1722725578 NXFLJCGCRCNBDK-OAQYLSRUSA-N 473.643 2.403 30 10 JEEE C[C@@H](CC(N)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CC1CN(C(=O)OC(C)(C)C)C1 1723782646 AEHVSDJVMIILOF-HNNXBMFYSA-N 453.547 2.384 30 10 JEEE Cc1cc(C)n(Cc2nnc(N3CCC(C#N)CC3)n2Cc2ccccc2S(=O)(=O)N(C)C)n1 1726033210 GLIWRKMTHCFUAQ-UHFFFAOYSA-N 482.614 2.178 30 10 JEEE C#CCCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1740569983 MUJYLXWJWCDMBF-KRWDZBQOSA-N 478.557 2.298 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1Cc1cc(F)ccc1SC)[C@@H]1CCS(=O)(=O)C1 1740623218 PZKNHUSIAWNFQL-QGZVFWFLSA-N 472.571 2.271 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H](C)CN1CCCCC1 1740631437 TXQAECYECXDGNN-OAQYLSRUSA-N 482.654 2.390 30 10 JEEE C#CCN(CC#CC)c1nnc(COc2ccccc2F)n1C[C@H](C)N1CCN(CC)CC1 1740658078 BUVSRIOZLLVSDV-NRFANRHFSA-N 452.578 2.485 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCCCN2CCC[C@H](C)C2)CC1 1740692683 ODAKQTPXXCYLJM-WIOPSUGQSA-N 458.651 2.198 30 10 JEEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1740718499 PQEXQCJSCOQCCV-OAQYLSRUSA-N 489.667 2.191 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccccc2F)nnc1N1CCN(S(C)(=O)=O)CC1 1740765816 CRQYIYYULGMLGI-UWJYYQICSA-N 479.578 2.059 30 10 JEEE C=C(C)COCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN(C)C(=O)C1 1740795651 ZUBLTQZEYTXYPU-UHFFFAOYSA-N 462.595 2.264 30 10 JEEE C=CCCOCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1740881088 WWIJPEAQDJOGOJ-FQEVSTJZSA-N 495.584 2.213 30 10 JEEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)c2ccsc2)CC1 1740995613 RHTJKZZBNWNMLB-UHFFFAOYSA-N 460.629 2.457 30 10 JEEE C[C@@]1(C#N)CCCN(c2nnc(COc3ccc(F)cc3)n2CCCn2cc(CO)nn2)C1 1741987717 HGUYYPCJOKJPBK-QFIPXVFZSA-N 454.510 2.300 30 10 JEEE Cc1cc(C)n(-c2ccc(Cn3c([C@@H](C)NS(C)(=O)=O)nnc3N3CCC[C@@](C)(C#N)C3)cn2)n1 1742668966 HFOFNKAPUIRBBT-JPYJTQIMSA-N 497.629 2.264 30 10 JEEE CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCCC[C@H]2C)CC1 1746511411 FPFOSYNJINEOEG-OAQYLSRUSA-N 478.645 2.339 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCN1C[C@H](C)O[C@@H](C)C1 1748650568 AGWKTUSYIDSMJU-UFYCRDLUSA-N 488.658 2.153 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CC1(NC(=O)OC(C)(C)C)COC1 1748667008 LQTBNDPOIKOGFG-HNNXBMFYSA-N 479.541 2.346 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2CC2([S@@](C)=O)CC2)c1 1748691488 GNMSGYQXPNHJRY-YQPGIBNTSA-N 499.637 2.286 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@H](C)N1CCN(c2ccccc2)CC1)[C@H]1CCS(=O)(=O)C1 1748801674 DJXBXQMIKFHIGJ-GGAORHGYSA-N 498.697 2.413 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCCCCCO)[C@H]1CCS(=O)(=O)C1 1748808019 GEKZSZVOEDHDAQ-INIZCTEOSA-N 484.420 2.215 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1748822101 XQDWMFZWAPLGEH-OALUTQOASA-N 477.631 2.257 30 10 JEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CCN1CCc2ccccc2C1 1748856040 QVEHCVAPTMWCIT-UHFFFAOYSA-N 458.591 2.401 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCO[C@@H]2C(=C)C)CC1 1748994339 DSFQTPXUAIQBNL-GHTZIAJQSA-N 454.600 2.006 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CC(=O)N(C)C2CCCCC2)CC1 1749010658 OXYHTNTYKJMKIF-UHFFFAOYSA-N 463.586 2.097 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@H](F)COC)CC1 1749015265 BCVKRVQQRUPYPA-FQEVSTJZSA-N 457.550 2.424 30 10 JEEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1749024478 RRERZSWHQBHEBK-IXFSTUDKSA-N 490.651 2.488 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cc(F)ccc2F)CC1 1749039024 OGMKSQXDQGDOSG-INIZCTEOSA-N 481.594 2.151 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(N(C)C)CCC[C@H](C)C1 1749066486 KGVJEAXFJMPUOF-JVODISISSA-N 492.690 2.114 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(F)(F)F)CC1 1749115021 KLAYGQVELVKRPY-IRXDYDNUSA-N 456.513 2.180 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CN2CCCC2=O)n1CC1(O)CCOCC1 1749530284 XTRCJMHZEKBGHD-UHFFFAOYSA-N 455.559 2.143 30 10 JEEE C=CCn1c([C@H](C)OCCOC)nnc1N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 1749615930 FGBZOMMEYUHCRC-PZJWPPBQSA-N 454.575 2.116 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1749736957 USTOQFXXUCIBFW-SFTDATJTSA-N 460.600 2.162 30 10 JEEE N#CCC1CCN(c2nnc(Cc3ccccn3)n2CCc2ccc(S(N)(=O)=O)cc2)CC1 1750389598 DNKWNIQWMBSHJS-UHFFFAOYSA-N 465.583 2.284 30 10 JEEE C#CCCCn1c(C2CC2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)C2(CCS(=O)(=O)CC2)C1 1760153408 PTAUUUXFMPBDRO-GOSISDBHSA-N 477.631 2.477 30 10 JEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)Nc2ccccc2)CC1 1760154869 KQFBALHMXHCMPD-SFHVURJKSA-N 470.599 2.384 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1CC(C)(C)N1CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1760190526 XKEVGWCRMSSQOC-FPOVZHCZSA-N 470.643 2.477 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@H]1CC(=O)N(CCOC)C1 1760201973 PAXJWFQYZBVBTH-LJQANCHMSA-N 458.522 2.168 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2C[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 1760262655 VBLBOHIBKASAAB-OAQYLSRUSA-N 465.602 2.419 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)Oc1ccccc1F)C1CC1 1760477043 ODFHFOVBZLQIQL-JXFKEZNVSA-N 479.578 2.372 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC([C@@H](O)c3ccc(F)cc3)CC2)nnc1[C@]1(OCC)CCOC1 1760528789 MLYOKGQIEYFMFN-DHLKQENFSA-N 487.576 2.322 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCCN(c2nc(C)ns2)CC1 1760557768 VZYUVGGWTFUBIK-UHFFFAOYSA-N 479.676 2.488 30 10 JEEE CCC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)NCC)CC1)OC 1763886745 HEXYEZRCRBKHGQ-HXUWFJFHSA-N 455.563 2.395 30 10 JEEE CCN1CCN(CCCn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C(C)C)CC2)CC1 1765576137 CCJISSCSBBDBLC-UHFFFAOYSA-N 480.661 2.287 30 10 JEEE CCCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCO[C@@H]2C)CC1 1766204403 BJMZSBAKENSFGL-MZNJEOGPSA-N 452.559 2.099 30 10 JEEE CN(C)S(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C[C@H]2CCOC2)C1 1766943751 AQNDXMJIDFIVMI-VQTJNVASSA-N 472.615 2.351 30 10 JEEE CCS(=O)(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(NC(C)=O)nc1 1768231352 HUAJOMGSXVKTPM-UHFFFAOYSA-N 467.555 2.089 30 10 JEEE CN(c1nnc(-c2ccc(C#N)cc2)n1CCC(=O)N1CCCCCC1)[C@@H]1CCS(=O)(=O)C1 1768539505 ICOMSSFCJVHDNT-HXUWFJFHSA-N 470.599 2.233 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2cccn2C)n1CC1(S(C)(=O)=O)CC1 1769818843 DOYNKCPXQITQAH-UHFFFAOYSA-N 468.583 2.385 30 10 JEEE COCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(Cc2cnc(C)s2)CC1 1769866206 BRMJPJHLNCEMCG-UHFFFAOYSA-N 453.572 2.462 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@H](OC)C1 1772567178 MIPRJYVLPRMEKX-ZWKOTPCHSA-N 462.595 2.310 30 10 JEEE COc1ccc(C=NN=C2NC(=O)[C@H](CC(=O)Nc3ccc(F)cc3)S2)c(C(=O)O)c1OC 1772727565 RLLSFSLWWAFAET-HNNXBMFYSA-N 474.470 2.491 30 10 JEEE N#Cc1ccccc1S(=O)(=O)Nc1ccc(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)nc1 1858449388 WQWYOFVDNAODHP-UHFFFAOYSA-N 497.602 2.406 30 10 JEEE C#CCOC(=O)NS(=O)(=O)c1ccc(CNC(=O)/C=C/c2cc(OC)ccc2OC)cc1 1858966337 DDDXRHGVEOSXOO-KPKJPENVSA-N 458.492 2.082 30 10 JEEE CC(=O)NS(=O)(=O)c1ccc(NC(=O)C(=O)/C=C/c2ccccc2Br)cc1 1860726614 WSUKWUZBVRZVCW-IZZDOVSWSA-N 451.298 2.495 30 10 JEEE COc1cc([C@@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2CCCNC=O)ccc1O 1862575569 ZWIALKPOEXTHSI-OAQYLSRUSA-N 470.478 2.132 30 10 JEEE COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CCCN2CCOCC2)cc1O 1862630064 LLTQIBZNQSINCL-HSZRJFAPSA-N 496.516 2.430 30 10 JEEE C=CCOc1ccccc1[C@@H]1C(C(=O)NCCNC(C)=O)=C(N)Oc2c1c(C)nn2CCC 1864319394 TUSAUYKZBWRNDZ-FQEVSTJZSA-N 453.543 2.113 30 10 JEEE C=CCOc1ccccc1[C@H]1C(C(=O)NCCN2CCOCC2)=C(N)Oc2c1c(CCC)nn2C 1864320217 NGGOOQWLKOHMAJ-OAQYLSRUSA-N 481.597 2.080 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)COc2nonc2CC(=O)N2C[C@@H](C)C[C@@H](C)C2)nc1C 1872636767 FKNJWFWVJFWRMT-BETUJISGSA-N 477.543 2.242 30 10 JEEE CC(C)N1C[C@@H](c2nnc(SCC(=O)NCc3ccco3)n2/N=C/c2cccn2C)CC1=O 1874333092 GWIBZGNAHGAAQB-PZLKWIMZSA-N 469.571 2.225 30 10 JEEE CC1(C)OB([C@@]23C[C@@H]2CCN(S(=O)(=O)CCN2C(=O)c4ccccc4C2=O)C3)OC1(C)C 1990294680 STEMQOSPTPZGQE-OYHNWAKOSA-N 460.361 2.171 30 10 JEEE CC(C)(C)OC(=O)NC[C@]1(CO)COCCN1Cc1ccccc1B1OC(C)(C)C(C)(C)O1 2162866968 CQZFBHNAQVGNLV-DEOSSOPVSA-N 462.396 2.074 30 10 JEEE CN1C[C@@H](C(=O)N2CCC(=CB3OC(C)(C)C(C)(C)O3)CC2)N(C(=O)OC(C)(C)C)CC1=O 2180980833 NBAAWPJRDRKNFG-KRWDZBQOSA-N 463.384 2.244 30 10 JEEE CC1=C(B2OC(C)(C)C(C)(C)O2)CN(C(=O)[C@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)CC1 2201824019 WRDPTXLZZDRRGS-QGZVFWFLSA-N 484.424 2.201 30 10 JEEE CN(C(=O)OCc1ccccc1)C1CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2247857973 ZWVCQTVZBJNLLQ-UHFFFAOYSA-N 451.332 2.474 30 10 JEEE C=C(CS(=O)(=O)NC[C@@H]1C[C@@H](OC)CN1C(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2255955971 WPLDTFFJBOSTNX-JKSUJKDBSA-N 460.402 2.118 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2C[C@@H]3CCO[C@]3(CNC(=O)OC(C)(C)C)C2)C1 2266484495 IIOSDYOOJKNSBK-QQLFDNLWSA-N 463.575 2.435 30 10 JEEE CO[C@@H]1CN(C(=O)c2cc(C)c(B3OC(C)(C)C(C)(C)O3)o2)C[C@@H]1NC(=O)OC(C)(C)C 2267131140 XKHPYJQFLZSYQP-GOEBONIOSA-N 450.341 2.251 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)CCO1 2267157941 DKYYBZQHSHKOIX-ZFWWWQNUSA-N 467.397 2.197 30 10 JEEE CC1(C)OB(c2cnsc2C(=O)N2C[C@H]3CC[C@H]2[C@@H](NC(=O)C(F)(F)F)C3)OC1(C)C 2267167398 FVYSPDMNWZBEDE-DRZSPHRISA-N 459.299 2.114 30 10 JEEE Cn1nc(C(=O)N[C@H]2[C@@H]3CN(Cc4ccccc4)C[C@@H]32)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2267179968 ATMXEDYKPHOJME-VQFNDLOPSA-N 456.783 2.233 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C[C@H]1O 2267284012 WQWDVPGJXOHJHM-RRFJBIMHSA-N 466.409 2.441 30 10 JEEE Cc1c(B2OC(C)(C)C(C)(C)O2)csc1C(=O)N1C[C@@H](O)C[C@H]1CNC(=O)OC(C)(C)C 2267584526 HTGPTCYHRHNLEK-GJZGRUSLSA-N 466.409 2.456 30 10 JEEE CC(C)(C)OC(=O)NCC[S@@](C)(=O)=NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2267720280 JCXKQFIENBOEKB-WJOKGBTCSA-N 488.437 2.297 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1[C@@H](C(=O)N=c1nc(B3OC(C)(C)C(C)(C)O3)[nH]s1)C2 2268648261 XHMMVADPDOGDLE-IHRRRGAJSA-N 464.397 2.233 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)c(F)c2)C1 2268802491 XYUCWWZPQDUAHC-QFIPXVFZSA-N 450.316 2.435 30 10 JEEE C[C@@H]1CCN(C(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)[C@H](CNC(=O)OC(C)(C)C)C1 2282034981 OZICPJAFFBUYPH-CVEARBPZSA-N 462.400 2.485 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](CO)[C@@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)CC1 2282198421 AZFZGMNPUFCFOD-CVEARBPZSA-N 464.368 2.317 30 10 JEEE CC(C)(C)OC(=O)N(CCO)[C@@H]1CCCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)C1 2282199744 IDUBUJRTVGFGRT-MRXNPFEDSA-N 464.368 2.413 30 10 JEEE CCN([C@@H]1CCN(C(=O)OC(C)(C)C)C1)S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282349538 ABAHEDRYLLNGOI-QGZVFWFLSA-N 481.424 2.401 30 10 JEEE CC(C)(C)OC(=O)N1CC([S@](C)(=O)=NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2282543108 ABNZMVRBFGVRFE-XIFFEERXSA-N 483.371 2.377 30 10 JEEE Cc1c(C(=O)N2C[C@H]3CN(Cc4ccccc4)C[C@@H]3C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282553136 VFGJKCOYCSAUJX-WOJBJXKFSA-N 450.392 2.232 30 10 JEEE Cc1c(C(=O)NC[C@]2(F)C[C@H](NC(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282555583 VPZFSVKLVNXQFI-CAJLXGCNSA-N 466.363 2.153 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2282582545 XSUOMBGKXNQZGO-MRXNPFEDSA-N 462.400 2.405 30 10 JEEE CO[C@@H]1CN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2Cl)C[C@@H]1NC(=O)OC(C)(C)C 2282609167 FEQBPNUFIDFCOE-JKSUJKDBSA-N 481.786 2.398 30 10 JEEE Cc1cnc(C(=O)N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2282643699 DTZPJQCGKIHQHW-MRXNPFEDSA-N 461.368 2.055 30 10 JEEE Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O 2282680584 PZCRFGBRSNUBAP-WMZOPIPTSA-N 460.380 2.252 30 10 JEEE C[C@@H]1CN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C[C@@H](C)C1NC(=O)OC(C)(C)C 2283058354 DQNDKHJETXEDBU-HUUCEWRRSA-N 460.384 2.397 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2283072226 NJWAPZVTWLJECJ-PHZGNYQRSA-N 458.368 2.436 30 10 JEEE C[C@H](NC(=O)[C@H]1C[C@@H](O)CN(C(=O)OC(C)(C)C)C1)c1nscc1B1OC(C)(C)C(C)(C)O1 2283945020 VOYHVUJOEWEEMO-SOUVJXGZSA-N 481.424 2.237 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)Nc1ccccc1B1OC(C)(C)C(C)(C)O1 2283975440 RGCPLYKIIKYKGE-KRWDZBQOSA-N 482.408 2.252 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@H](C(=O)NCc2cc(B3OC(C)(C)C(C)(C)O3)ccc2F)C1 2283982440 XNBUPYINXWRDMH-SFHVURJKSA-N 464.343 2.377 30 10 JEEE CN(CCNC(=O)OC(C)(C)C)CC(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)ccc1F 2284068002 XBDGMEONQNROGF-UHFFFAOYSA-N 465.375 2.198 30 10 JEEE CN(C[C@@]1(O)CCCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)C1)C(=O)OC(C)(C)C 2286312155 HJRZQSGQXFNROP-QFIPXVFZSA-N 481.424 2.276 30 10 JEEE CCOc1cc(C=Nn2c(CCOC)nnc2SCC(=O)OC)cc(Br)c1O 2331293651 LUHJVVDLQLYRBJ-UHFFFAOYSA-N 473.349 2.481 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCCCCCNC(=O)OC(C)(C)C)n1C 2337190455 OHGBDOPMNOGHGT-UHFFFAOYSA-N 450.389 2.453 30 10 JEEE COc1nc(O[C@@H]2COC[C@H]2CNC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2339837956 GIKIOTBITOARCW-GDBMZVCRSA-N 450.341 2.308 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@H]([C@@](C)(C(=O)O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C1 2346916299 LSFPQNHDABRHSH-NMMYMHLASA-N 458.559 2.176 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC1CC2(CCN2C(=O)OC(C)(C)C)C1 2362351192 BNSIGZUJNLGGCO-UHFFFAOYSA-N 460.384 2.239 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2[C@@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)n1C 2362479972 CLFKMDYQXRAXRC-BZUAXINKSA-N 460.384 2.013 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)N3CCN(C(=O)Nc4ccccc4)CC3)cc2C1=O 16662752 WYIDTXRSPKHKRP-UHFFFAOYSA-N 476.489 2.002 30 10 JEEE Cc1ccccc1-n1c(=O)/c(=C\c2ccccc2OC(F)F)s/c1=C(\C#N)C(=O)N1CCOCC1 105754783 AQPMDMSTOYILHO-CIQFFKNSSA-N 497.523 2.171 30 10 JEEE C[C@@H]1C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@H]3C(=O)C[C@@]2(C)[C@]1(O)C(=O)COC(=O)CCC(=O)O 306121958 NSUOIXNBPZQTLB-AQCXFYRLSA-N 472.534 2.428 30 10 JEEE C#CCNC(=O)CN1CCN(C(=O)c2cccnc2Oc2ccc(F)cc2Br)CC1 728531867 UKZWTCKZJMMTLM-UHFFFAOYSA-N 475.318 2.283 30 10 JEEE CCCSc1nnc(NC(=O)CSc2n[nH]c(NN=Cc3cnn(CCOC)c3)n2)s1 1084430718 IIGVLWIWRRLMLM-UHFFFAOYSA-N 482.621 2.178 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cnccn2)n1C[C@@H]1C[C@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1286284239 ABXHRSIBEGQHKW-DWRORGKVSA-N 453.547 2.217 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCc1cc(C)cc(C)c1)[C@@H]1CCS(=O)(=O)C1 1286383075 VKOINCZHXNIZAR-OAQYLSRUSA-N 492.605 2.412 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CCOc1ccccc1C)[C@@H]1CCS(=O)(=O)C1 1286394006 SVHPRHLEWLBFJU-OAQYLSRUSA-N 465.579 2.278 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCN1C[C@@H](C)C[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1286394096 NFJCSKNGCOKWFF-MBDNFAEBSA-N 477.675 2.167 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1CCc1cnc2c(Cl)cnn2c1 1286422252 KAADQJCOWZJOGF-HSZRJFAPSA-N 467.961 2.332 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@]1(O)CCO[C@H]1C 1286434320 JJUFRPPCWSNECX-JXQFQVJHSA-N 457.575 2.353 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2C[C@@H]2CCCN2CCCO)CC1 1286489569 XXNVSEHFESKUOU-QFIPXVFZSA-N 464.614 2.066 30 10 JEEE C#CCSCCn1c(COc2ccc(F)cc2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1286510395 RCPSGKBUZKYZQK-QGZVFWFLSA-N 452.577 2.376 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2)CC1 1286546135 GNZHMQAWLXKGSR-ZVDOUQERSA-N 474.631 2.196 30 10 JEEE C=C(C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1286593520 NLVFZPXUKDGFMW-UHFFFAOYSA-N 456.978 2.369 30 10 JEEE C=CCCCn1c(-c2cccc(Br)c2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1286695006 LZSNUSAPVBCHQE-UHFFFAOYSA-N 486.378 2.009 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H]1CCCO[C@H]1c1ccccc1 1286787895 LIXUMXABRNYGEG-VWPQPMDRSA-N 487.626 2.087 30 10 JEEE CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1297705435 DVIMIUBBYURYBU-HXUWFJFHSA-N 476.578 2.292 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1CCCO[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1300486797 BGYJOUOJVOPPMH-UXHICEINSA-N 458.584 2.076 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCCN(C)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1300489062 ZUHCPZBMTDYPCQ-KRWDZBQOSA-N 476.603 2.157 30 10 JEEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCN1C[C@H](C)O[C@@H](C)C1 1300625077 BXVKWLACTQUZFV-SFTDATJTSA-N 466.634 2.411 30 10 JEEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1300742870 CRGLGOYQLOZUFJ-IBGZPJMESA-N 489.667 2.456 30 10 JEEE C#CCSCCn1c(-c2ccccc2OC)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1300754224 MCYKWYLBGAAGOR-KNQAVFIVSA-N 482.654 2.309 30 10 JEEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1300769911 LYFLMFLYISAHCL-UHFFFAOYSA-N 489.671 2.266 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCC(=O)NC(C)C 1300789034 VOQXXLJTNYQFOI-HSZRJFAPSA-N 471.631 2.453 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C)[C@H](OC)C1 1301150902 DDAIEPUDZILQOU-KURKYZTESA-N 455.625 2.075 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CN2CCCC2=O)n1C[C@]1(C)CN(C)C1=O 1301338367 WWARDVCTQCOWHM-DEOSSOPVSA-N 452.559 2.080 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC(CC(N)=O)CC1 1301577320 MSPUXJDOKZWDML-UHFFFAOYSA-N 482.006 2.300 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC(Oc2cncc(Cl)n2)CC1 1301579191 PNXFCJDLLMHGHG-UHFFFAOYSA-N 492.005 2.376 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)C(=O)NC1CCN(S(=O)(=O)C2CCOCC2)CC1 1312035174 IYPLYMWPWAEJRL-UHFFFAOYSA-N 451.589 2.366 30 10 JEEE C#CCCCCn1c(-c2noc3c2COCC3)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1358911110 KZFBLKALBXFDCX-UHFFFAOYSA-N 455.563 2.439 30 10 JEEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1358930370 UFSQLVAOUQSUMS-YDIMBITNSA-N 475.590 2.384 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2CCCO2)CC1 1359041702 FSAKDTPJPAETQH-INIZCTEOSA-N 461.364 2.181 30 10 JEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCCN(C(=O)CCc2ccccc2)CC1 1359048619 WWHHMNSPCRJQSK-UHFFFAOYSA-N 482.654 2.454 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCOc1ccccc1F 1359057025 QDUTUZVNKLWSMQ-MRXNPFEDSA-N 452.577 2.201 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1359096262 YTXVDFVBTYYPDH-HIUFNZKISA-N 451.527 2.158 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(OC)c(F)c1 1359113133 ANGMTWKZFYILBE-FQEVSTJZSA-N 481.594 2.404 30 10 JEEE C=C(Cl)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)CCCS(C)(=O)=O 1359148786 CHCFXENFSSSLRW-UHFFFAOYSA-N 464.979 2.298 30 10 JEEE C=CCCOCCn1c(Cc2ccsc2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1359228527 GGWGORXCARXRFL-LJQANCHMSA-N 458.588 2.290 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](CC)c2ccccc2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1359327494 CVJJPKXUKQPKPW-WMZHIEFXSA-N 459.616 2.383 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F 1359330141 INAPJZRODHWEMS-UHFFFAOYSA-N 457.482 2.263 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@](C)(C#N)C1 1359333275 SJQMHFUUEMUXLA-HSZRJFAPSA-N 484.630 2.183 30 10 JEEE Cc1nc(C#N)c(N2CCN(C(=O)CN3C[C@H](C)N(Cc4ccccc4)[C@H](C)[C@H]3C)CC2)o1 1460337965 AMOYGJUTQXTGNO-XUVXKRRUSA-N 450.587 2.487 30 10 JEEE C#CCNC(=O)C1CCN(C(=O)[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(C)C)CC1 1467452165 NAQXGZSHVIUOIG-JOCHJYFZSA-N 455.580 2.131 30 10 JEEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 1467943411 IODLBANIIPDNLM-SFHVURJKSA-N 459.572 2.069 30 10 JEEE Cc1c(Br)c(C)n(NC(=O)C2CCN(C(=O)c3cccnc3)CC2)c(=O)c1C#N 1472553673 HJLNEVYMIVNWFQ-UHFFFAOYSA-N 458.316 2.117 30 10 JEEE COc1ccc(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCO[C@@H](C#N)C2)c(OC)n1 1504283706 AGTAPRGFHMJZRV-YQVWRLOYSA-N 456.547 2.386 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CCCNc2ccccn2)c1 1507550216 IBABMMGMOUVYIA-FQEVSTJZSA-N 472.553 2.183 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1CCN(CC)CCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1507629777 PYPZHMQRGOHCJX-QGZVFWFLSA-N 484.548 2.241 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1ncc(CC)s1 1507711045 YWPCFAMIEWEWNK-UHFFFAOYSA-N 463.567 2.345 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)(C)C)n2CCN2CCOC(C)(C)C2)n1 1507716401 KCDRWKUSUZXMTE-UHFFFAOYSA-N 457.623 2.169 30 10 JEEE C=C(Cl)Cn1c(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)nnc1[C@@]1(OCC)CCOC1 1507872692 FXIQDNKMIJEFIY-JOCHJYFZSA-N 496.033 2.335 30 10 JEEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1507941024 AENLTAVNGPMYHA-QFIPXVFZSA-N 474.587 2.193 30 10 JEEE C=CCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1508051105 QWTXKZFXHWGUDC-SFHVURJKSA-N 451.980 2.415 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC(C(=O)NCc2ccc(C)cc2)CC1 1508084199 JXVOYGCNZXGNQI-UHFFFAOYSA-N 487.608 2.407 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1508136012 QPVKYTQUFFXOCZ-ZHRRBRCNSA-N 493.561 2.189 30 10 JEEE C[C@H](C#N)CN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC[S@](=O)C(C)(C)C 1508416091 DJJZEQUYJBFAOS-YPSMLTEGSA-N 455.588 2.335 30 10 JEEE CC(C)[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@@H](C#N)C1)N1CCOCC1 1508886093 GDLBIIPREZZKKY-JSXRDJHFSA-N 460.623 2.282 30 10 JEEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(C(N)=O)CCOCC2)C[C@H](C(F)(F)F)O1 1512418767 GNXBBHSBOPZZES-WMLDXEAASA-N 478.475 2.255 30 10 JEEE CC[C@H](C)N(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(S(C)(=O)=O)CC1 1513157689 ADKYJFFECCFQBC-SFHVURJKSA-N 474.631 2.472 30 10 JEEE CCCN(CC)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1514687603 GQHAEDDTXIXZPX-UHFFFAOYSA-N 487.612 2.369 30 10 JEEE CCOC1CC(O)(Cn2c(C(=O)NC(CC)CC)nnc2N2CCN(c3ccccc3C#N)CC2)C1 1516384110 AEPGYZIOUJYJGZ-UHFFFAOYSA-N 495.628 2.325 30 10 JEEE C#CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(CC(=O)NC)CC1 1539068198 PLCILZRBFMEAQY-UHFFFAOYSA-N 471.631 2.394 30 10 JEEE C#CCCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCN(C)C(=O)[C@H]1C 1539079019 NIGLZLNVNHMMLR-JOCHJYFZSA-N 463.630 2.113 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CC1(COC)CCCCC1)[C@H]1CCS(=O)(=O)C1 1539206401 ONUWTWPXSNHDSW-RDPSFJRHSA-N 494.658 2.154 30 10 JEEE C#CCN(CCOC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@H]1CCCS(=O)(=O)C1 1539395904 KAZBGBRYLXIEHU-ROUUACIJSA-N 464.563 2.468 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2C[C@@](C)(O)CCC)CC1 1539482106 RFABCAWTSUHXCI-OFVILXPXSA-N 467.570 2.308 30 10 JEEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1539526368 NUYUWANRWQBVQB-VGOFRKELSA-N 475.640 2.410 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](CC)NC(=O)OC(C)(C)C 1539539630 WHNQSTHEEIOUOX-CKJXQJPGSA-N 468.624 2.184 30 10 JEEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(OCCN2CCCC2)CC1 1540006800 WVGIEPYQBSJZSH-IBGZPJMESA-N 451.637 2.228 30 10 JEEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H](N1CCOCC1)C(F)(F)F 1540054727 VMCDRYGSVPDZGQ-KRWDZBQOSA-N 473.521 2.234 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1540874653 NOOQPNFHSWWVBV-NRFANRHFSA-N 479.585 2.186 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1540903700 FQHVSSAJVDWDMO-SFHVURJKSA-N 474.612 2.208 30 10 JEEE CN(CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@](F)(C#N)C1)CC(F)(F)F 1554288984 DWTTWAKLZKSEQU-GOSISDBHSA-N 474.484 2.285 30 10 JEEE C#CCn1ccc(CN(CCOC)C(=O)c2cccc(S(=O)(=O)N3CCCC[C@H]3C)c2)n1 1586565718 YVXPBTBLEDXTGK-LJQANCHMSA-N 458.584 2.368 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1Cc1c(C)nn(C)c1C)[C@H]1CCS(=O)(=O)C1 1588058842 DMKKSDMDJNUPOP-FQEVSTJZSA-N 470.574 2.033 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1CC1(OCCOC)CCOCC1 1588139575 PJCVODMLTNFCMD-QFIPXVFZSA-N 466.538 2.076 30 10 JEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Oc1ccc(F)cc1)C1CC1 1595055054 YBKSPHJFBPBYKR-OXQOHEQNSA-N 479.578 2.372 30 10 JEEE C=CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(C)C(=O)[C@@H]1C 1595838126 LRRIRALHPSJSDQ-HNNXBMFYSA-N 463.007 2.448 30 10 JEEE Cc1ccc(SCc2nnc(N3CCO[C@@H](C#N)C3)n2CC2CCS(=O)(=O)CC2)cc1 1612166769 BJDRSYOUXXJGAX-SFHVURJKSA-N 461.613 2.432 30 10 JEEE CO[C@@]1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(NC(=O)C(C)C)CC2)CCOC1 1619051369 GEUWLURMMKXDHU-XMMPIXPASA-N 452.559 2.363 30 10 JEEE CS(=O)(=O)Cc1ccc(Cn2c(-c3cnccn3)nnc2N(CCC#N)CC2CC2)cc1 1620158621 DZIAAOXWPLCVSO-UHFFFAOYSA-N 451.556 2.458 30 10 JEEE C=CCCc1ccc(S(=O)(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 1621603352 OOWCOJDUUFVQKL-UHFFFAOYSA-N 450.582 2.305 30 10 JEEE C=CCCC[C@@H](NS(=O)(=O)c1cc(S(C)(=O)=O)ccc1Br)C(=O)OC 1622571766 PQZDNYREDVOOSA-CYBMUJFWSA-N 454.364 2.029 30 10 JEEE C=CCN(C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1C)[C@@H]1CCS(=O)(=O)C1 1622819401 CHGNNDGVNAGKRG-QGZVFWFLSA-N 455.602 2.377 30 10 JEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Nc1ccc(N2CCOCC2)cc1N1CCOCC1 1666563991 AGXVVCHWYBTWOV-UHFFFAOYSA-N 458.559 2.169 30 10 JEEE C=CCCOCCNC(=O)N1CCN(C(=O)c2ccccc2I)CC1 1671207430 SAYCTEITYBXZKZ-UHFFFAOYSA-N 457.312 2.351 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1689986210 KYMXMNXYCXTXFO-MSOLQXFVSA-N 490.630 2.166 30 10 JEEE C#CCN(c1nnc(CSc2ccc(C)cc2)n1C[C@]1(C)COCCO1)[C@H]1CCS(=O)(=O)C1 1689996309 GYJPSWSTPYZHDN-WMZHIEFXSA-N 490.651 2.311 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](CC)c3ccccc3)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1690113553 MZMYQLZSCXZYMY-IRLDBZIGSA-N 455.628 2.400 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)ccc3Br)n2CCc2cn[nH]c2)CC1 1690115159 VHHKLHMIVUULQK-UHFFFAOYSA-N 470.375 2.437 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cccnc2OC)CC1 1690152303 GTIHPQDXLUORFW-UHFFFAOYSA-N 485.548 2.146 30 10 JEEE C#CCSCCn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1690179299 USNUJIOUIVETJZ-IAGOWNOFSA-N 460.629 2.141 30 10 JEEE C=CCN(c1nnc(-c2ccccc2Br)n1C[C@]1(O)CCS(=O)(=O)C1)C1CC1 1690541025 KFFQSNMMKFBOCY-LJQANCHMSA-N 467.389 2.412 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1690664213 LGGQUWBHHFEIJK-UNMCSNQZSA-N 452.603 2.357 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1690676119 QIZRSWOTGVHORD-BBRMVZONSA-N 457.428 2.454 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CC(=O)N(c3ccccc3)C2)C1 1690684353 DOOOMQPNMOJKRG-AZUAARDMSA-N 452.559 2.251 30 10 JEEE CC(=O)NC[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCSCC2)C1 1690932806 FKNCCAIEDVYAMU-HXUWFJFHSA-N 453.616 2.218 30 10 JEEE CCc1nn(C)c(CC)c1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@H]1C 1694605423 BONFCTMIENWGRH-QGZVFWFLSA-N 476.585 2.302 30 10 JEEE CNC(=O)[C@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(COC)CCOCC2)C1 1696929637 GUCJGQUAQBJVOQ-HSZRJFAPSA-N 452.559 2.222 30 10 JEEE C#CCN(C)c1nnc(COc2ccc(OC)cc2)n1C[C@]1(N2CCOCC2)CCSC1 1705556959 JAAKAPBJCSZZJM-HSZRJFAPSA-N 457.600 2.143 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@](C)(O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1705565234 HIYZRERFFHYHPQ-ZRCGQRJVSA-N 458.584 2.054 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1csc([C@@H](C)OC)n1)[C@H]1CCS(=O)(=O)C1 1705566475 OOHKNGYALTUCAG-ZBFHGGJFSA-N 460.585 2.112 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1CCCN1C[C@H](C)O[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1705570501 QPDGNTMZMITRJD-SVFBPWRDSA-N 491.683 2.056 30 10 JEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCN1CCCCCC1 1705574461 DUNGWRJYLOBENV-UHFFFAOYSA-N 467.643 2.495 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1C[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 1705626711 GMOMYVNONDQLJG-CMKODMSKSA-N 469.590 2.268 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2CCN2CCC[C@H](C)C2)CC1 1705642709 FIOUMNMPLTZBQT-NRFANRHFSA-N 452.603 2.353 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCN2CCN(C)C(C)(C)C2)CC1 1705642860 JVDNYWXKXMDMSS-UHFFFAOYSA-N 486.064 2.292 30 10 JEEE C=C(Br)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(S(=O)(=O)CC)CC1 1705691370 DRUCFJBKCVBZHZ-UHFFFAOYSA-N 471.425 2.452 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1705705477 IEUQNLLOUZWPDH-VIZSFHNOSA-N 488.658 2.353 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CC)CCOCC1 1705717418 JMSIQPIKXSIIGB-GOSISDBHSA-N 455.625 2.220 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2(CCOCC)CCC2)CC1 1705769209 MLEMYQKQBPIZFN-LJQANCHMSA-N 467.636 2.364 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC(OC[C@H]2CCOC2)CC1 1705895066 SKEIIPQVXZFCSZ-FQEVSTJZSA-N 496.612 2.471 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)CCS(C)(=O)=O 1705931209 JCPIPUSYPPXBNI-OAHLLOKOSA-N 486.685 2.213 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1705937090 IHWCTCJCHNYNCQ-QGZVFWFLSA-N 477.635 2.186 30 10 JEEE CC(C)NC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1706648418 HIKODJMVAFKVHN-UHFFFAOYSA-N 462.533 2.126 30 10 JEEE Cc1cccc(O[C@H](C)c2nnc(N3CCO[C@H](C#N)C3)n2CCN2CCOC[C@H]2C)c1C 1706980096 ANGNVCOQIICTRA-HMXCVIKNSA-N 454.575 2.484 30 10 JEEE COCCn1cc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCCC[C@H](S(C)(=O)=O)C2)cn1 1712465000 CESJJIPZRJKBSJ-NRFANRHFSA-N 483.598 2.111 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCS(=O)(=O)CC1CC1 1722285342 VQXYQOZKXIVCOR-OAHLLOKOSA-N 463.991 2.144 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2Br)n1CCN1CCN(C(C)=O)CC1 1722288115 WFHWNEONCFQNOR-INIZCTEOSA-N 459.392 2.330 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1ccc(OC)c(F)c1)[C@H]1CCS(=O)(=O)C1 1722369437 ZFCBEJCLVQNFNX-SFHVURJKSA-N 469.542 2.471 30 10 JEEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1(S(C)(=O)=O)CCCC1 1722411273 BTNCHGZRIJEZPW-UHFFFAOYSA-N 471.631 2.269 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@](C)(O)C(C)C)CC1 1722443682 MDQRZTGQVIIVST-QHCPKHFHSA-N 454.531 2.226 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2Cc2cccc(OCC(=O)N(C)C)c2)CC1 1722445378 WEJGBDMUCQQYOE-IBGZPJMESA-N 480.613 2.273 30 10 JEEE CC(C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1723085546 BCUGVYYAMJCMPY-UHFFFAOYSA-N 469.553 2.182 30 10 JEEE CCc1cnc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)Cc2ccc(C#N)cc2)s1 1727436973 CZKXAVOKFRIJEW-CQSZACIVSA-N 459.601 2.464 30 10 JEEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1740583313 ONJUUUPPPPGZJO-UHFFFAOYSA-N 469.409 2.215 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@H](C)N1CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1740620227 CIKILNGFSXAJBV-UFYCRDLUSA-N 458.632 2.031 30 10 JEEE C#CCN1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CCN(CC)CCC)CC1 1740692233 HDIANAOCDAGHQM-UHFFFAOYSA-N 486.690 2.034 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2CC(C)(C)C(=O)NCC)CC1 1740707160 RAWKQBJKAICBOD-UHFFFAOYSA-N 480.613 2.006 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2nnc(C)s2)CC1 1740707796 PXWUZEBFVRMIRF-IEBWSBKVSA-N 471.631 2.371 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccccc2F)nnc1N1CCN(CC(=O)NCC)CC1 1740768862 YKJWOGIDPGQTLL-YADARESESA-N 486.592 2.236 30 10 JEEE C=C(C)COCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(C(C)=O)C[C@H]1C 1740788209 PTKXFOGCEKXYHQ-QGZVFWFLSA-N 489.646 2.196 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CCO[C@H](C)C1 1740953714 OZNSWNZQGTXOGT-CYBMUJFWSA-N 450.337 2.244 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N(C)CCS(=O)(=O)CC 1740953871 UHHYRXFGDGFVOB-UHFFFAOYSA-N 488.383 2.020 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1740955305 PLAQVBPQVUXVGU-OAQYLSRUSA-N 481.557 2.059 30 10 JEEE C=CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCO[C@H](CNC(C)=O)C1 1740995854 ZOEYLIBDMABQCT-HXUWFJFHSA-N 472.615 2.408 30 10 JEEE C[C@@]1(C#N)CCCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1741983087 FPYMOYWELNWIMI-SFTDATJTSA-N 463.991 2.202 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](c1ccccc1OC)N1CCCC1 1748640430 VBGZGOMYSIHUJF-NLWGTHIKSA-N 474.631 2.192 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(COC)CCOCC1 1748665353 PTIOSVPTJOYMFO-QGZVFWFLSA-N 450.543 2.093 30 10 JEEE C#CCCCCn1c(COc2ccc(OC)cc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1748727353 PUWBYQYGEFRRLN-UHFFFAOYSA-N 466.542 2.190 30 10 JEEE C#CCN(c1nnc(C2(c3ccccc3)CCC2)n1C[C@](C)(O)CCOC)[C@H]1CCS(=O)(=O)C1 1748804162 DXQQISFABSOIKU-XUZZJYLKSA-N 486.638 2.162 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@H](c1ccco1)N(C)C)[C@H]1CCS(=O)(=O)C1 1748809407 MPIMPBGVXWJHMQ-LEWJYISDSA-N 478.578 2.339 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H](C(CC)CC)N(C)C)[C@H]1CCS(=O)(=O)C1 1748812125 QNLFNUZVGNNPJN-FPOVZHCZSA-N 460.648 2.277 30 10 JEEE C#CCN(CC#C)c1nnc(CCOc2ccccc2)n1C[C@@]1(N2CCOCC2)CCSC1 1748851735 LLVOHGHCXMSQPU-VWLOTQADSA-N 465.623 2.180 30 10 JEEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1749039952 GQMVTMXIBFKWME-UHFFFAOYSA-N 496.681 2.378 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(COC)c1 1749159338 SJMJROVZVWUDEH-HXUWFJFHSA-N 463.604 2.208 30 10 JEEE COCC(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2c(C)noc2C)CC1 1749262918 CACKXXXKKAAXSO-UHFFFAOYSA-N 493.568 2.308 30 10 JEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCNc2nccc(C(F)(F)F)n2)CC1 1749329536 OOPNPOVEMDKHPC-CYBMUJFWSA-N 488.540 2.212 30 10 JEEE C=CC[C@@H](Cn1c(CN2CCCC2=O)nnc1N(C)[C@H]1CCS(=O)(=O)C1)c1ccccc1 1749384667 FUGZXQDMSLSGFB-PMACEKPBSA-N 457.600 2.384 30 10 JEEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H](N1CCOCC1)C(F)(F)F 1749488983 PXVXHMUAXPCIFM-SFHVURJKSA-N 480.539 2.337 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCOC2)n1CCN1CCCS1(=O)=O 1749553050 DUTJNZZKIZDLQV-KRWDZBQOSA-N 451.618 2.462 30 10 JEEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1749609531 SOGVAKOUTJMSBL-KRWDZBQOSA-N 455.588 2.184 30 10 JEEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(C)CCOc1cccc(Cl)c1 1749665760 BUEWGCOUOCQFEM-UHFFFAOYSA-N 472.933 2.477 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N(C)CC(=O)Nc1ccc(C)cc1 1749676578 VQLLGFZABHQQBH-UHFFFAOYSA-N 472.553 2.202 30 10 JEEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2N(C)CCCC2(C)C)CCN1S(C)(=O)=O 1750350259 DZTBUZZLIJNCET-RXVVDRJESA-N 485.658 2.407 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@H]1CC(=O)N(CCOC)C1 1760111766 SRJIKTNJFFYMPF-RTBURBONSA-N 491.596 2.189 30 10 JEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCC(=O)NC1CCCCC1 1760170939 SHIJJDJNQMWFJC-UHFFFAOYSA-N 457.604 2.147 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCc2cc(OC)ccc21 1760210863 YCZYCBAULQTIRS-UYAOXDASSA-N 469.611 2.480 30 10 JEEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cc(C)nc(C(C)C)n2)CC1 1760433517 TVBLOANCLYKQLQ-GOSISDBHSA-N 476.651 2.403 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3ccccc3n2)nnc1N1CC[C@H](C(=O)OC)C1 1760552916 GHTZCMUVTALTNZ-KRWDZBQOSA-N 455.540 2.093 30 10 JEEE CC(C)N1CCC(O)(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CCc2cnccn2)CC1 1761182840 GWRKTQJWYUYIOO-UHFFFAOYSA-N 490.612 2.433 30 10 JEEE CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C2CCCC2)CC1 1764696718 DHPPQVUGPLDOFT-UHFFFAOYSA-N 451.575 2.272 30 10 JEEE CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 1769324803 CFVPVXVENRIXIV-QGZVFWFLSA-N 450.503 2.037 30 10 JEEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2CCC(C)CC2)CC1 1769368559 HEVNHOJTNJLGCJ-UHFFFAOYSA-N 471.631 2.067 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)CN3CCN(S(=O)(=O)c4ccc(C)c(C)c4)CC3)cc21 1858631352 XBMHKBUPCXBPHV-UHFFFAOYSA-N 483.590 2.404 30 10 JEEE C=CCN(CC=C)c1nc(NC(=O)CCC(=O)c2cccs2)n([C@H]2CCS(=O)(=O)C2)n1 1870004822 MWJGDUZOPGIXQJ-HNNXBMFYSA-N 463.585 2.479 30 10 JEEE CCCOC(=O)c1ccc(NC(=O)Cn2cnc3c(nnn3Cc3ccc(C#N)cc3)c2=O)cc1 1870101870 NEBXEYSUFSILQQ-UHFFFAOYSA-N 471.477 2.113 30 10 JEEE COc1cccc(Cn2nnc(C#N)c2NC(=O)[C@@H](C(C)C)N2C(=O)c3ccccc3C2=O)c1 1870107285 BOTMQIOAOMIGOS-HXUWFJFHSA-N 458.478 2.466 30 10 JEEE Cc1cc(-n2nnc(C#N)c2NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)ccc1Cl 1870155461 OJVJXVQMXUXYES-UHFFFAOYSA-N 465.813 2.244 30 10 JEEE C=CCn1cc(OCC(=O)Nc2cccc(C(F)(F)F)c2)c(=O)cc1CN1CCN(CCO)CC1 1870339418 PLFCQFSWMWGORG-UHFFFAOYSA-N 494.514 2.181 30 10 JEEE C#CCOc1cn(C[C@@H](c2ccccc2)N2CCCC2)c(CN2CCN(C(C)=O)CC2)cc1=O 1870563997 XCTMKMVGJKPBIO-VWLOTQADSA-N 462.594 2.362 30 10 JEEE C=CCn1cc(OCC(=O)Nc2ccccc2C(=O)OC)c(=O)cc1CN1CCC(N(C)C)CC1 1870742285 XYIRMWYEQCSUHN-UHFFFAOYSA-N 482.581 2.364 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)COc2nonc2C(=O)NCc2cccc(C)c2)nc1C 1872706510 BUPCUODCMYFCOJ-UHFFFAOYSA-N 471.495 2.433 30 10 JEEE Cc1nc([C@H](C#N)C(=O)CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)sc1C(=O)N(C)C 1872797241 DTWPPRVMVOTCDE-QGZVFWFLSA-N 456.528 2.060 30 10 JEEE O=C(NCC#CCN1CCCC1)[C@@H]1CCCCN1S(=O)(=O)c1ccc(Br)cc1 1890710314 KKKZPHFVXRKAOZ-IBGZPJMESA-N 468.417 2.208 30 10 JEEE CC(=O)Nc1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)NCC#CCN(C(C)C)C(C)C)cc1 1890893306 VODXDIGMXDQJDO-QHCPKHFHSA-N 476.643 2.427 30 10 JEEE C=CCC1(C(=O)NCCn2cc(I)cn2)CN(C(=O)OC(C)(C)C)C1 2060603340 PINAEOWSBXVBPX-UHFFFAOYSA-N 460.316 2.417 30 10 JEEE C#CCN(C(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O)C1CCN(C(=O)OC(C)(C)C)CC1 2136179753 LYMAWDAUDNLDCX-IEBWSBKVSA-N 465.591 2.466 30 10 JEEE Cc1cc(S(=O)(=O)N(CC(N)=O)Cc2ccccc2)sc1B1OC(C)(C)C(C)(C)O1 2247875744 BNOPFFXKXKGYHO-UHFFFAOYSA-N 450.391 2.032 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@@H](C)NC(=O)OC(C)(C)C 2255743447 GBMPLIFOZYUMMT-OAHLLOKOSA-N 454.398 2.486 30 10 JEEE C[C@H]1C[C@@H](CC(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)CN1C(=O)OC(C)(C)C 2257829536 ANSRNOTZRABZNC-STQMWFEESA-N 452.386 2.233 30 10 JEEE CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2267143015 BMKRYTAZSKEQMW-GFCCVEGCSA-N 456.299 2.083 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)OC(C)(C)C)s1 2268630453 KTCDBLHTUQIMLG-ZBFHGGJFSA-N 466.409 2.342 30 10 JEEE C[C@H](NC(=O)[C@H]1COC[C@H]1NC(=O)OC(C)(C)C)c1nscc1B1OC(C)(C)C(C)(C)O1 2268699184 SFUCXGORGJGIFS-KCQAQPDRSA-N 467.397 2.159 30 10 JEEE Cn1ncc(C(=O)N2CCC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)c1B1OC(C)(C)C(C)(C)O1 2281824662 WJPMRTVTAPNCGA-DOTOQJQBSA-N 460.384 2.191 30 10 JEEE Cn1cc(C(=O)NC[C@@H]2CC(C)(C)CN2C(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2282032953 MNSBXFDULQMKQT-HNNXBMFYSA-N 462.400 2.485 30 10 JEEE C[C@@H]1C[C@H](CNC(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CCN1C(=O)OC(C)(C)C 2282039206 RMWBRVIFJQQPFU-HZPDHXFCSA-N 462.400 2.485 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2CCC[C@]2(NC(=O)OC(C)(C)C)C1 2282051468 IBBODRCTSXKAMQ-CMJOXMDJSA-N 460.384 2.239 30 10 JEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC[C@@]1(C)CCOCc1ccccc1 2282413587 GUITVIYJNMTFPK-QHCPKHFHSA-N 475.420 2.479 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@](CO)(NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2Cl)C1 2282601665 HXHPMZOSOLQRAU-QFIPXVFZSA-N 481.786 2.136 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)[C@]2(CCOC2)C1 2282629310 UHLLMOMHZVUMFY-RCDICMHDSA-N 479.408 2.341 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N(C)C[C@@H](O)CN(C)C(=O)OC(C)(C)C 2282689812 MYPNYDOKGABURT-QGZVFWFLSA-N 465.400 2.107 30 10 JEEE CN(C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)[C@@H](CNC(=O)OC(C)(C)C)C(F)(F)F 2283061628 MLJWQCAXOHMQDH-LBPRGKRZSA-N 474.289 2.303 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](NC(=O)c3nccnc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2283062089 RCHKEQKXRDKJQX-JYJNAYRXSA-N 458.368 2.151 30 10 JEEE CC(C)(C)OC(=O)NC1CCN(CC(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)CC1 2283978773 GOLMAGHBFLCIGB-UHFFFAOYSA-N 460.384 2.308 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H](C(=O)O)[C@H](C)OCc2ccccc2)n1 2284475016 RHTICPFEAXAPLS-LPHOPBHVSA-N 454.332 2.478 30 10 JEEE CC(C)(C)OC(=O)N1CCOCC[C@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2285272480 WNACYMVQDPKYHG-INIZCTEOSA-N 465.331 2.484 30 10 JEEE CCOc1ccc(OCc2nnc(SCC(N)=O)n2N=Cc2ccc(C(=O)O)cc2)cc1 2326655824 DZDUYAXIDZIUNE-UHFFFAOYSA-N 455.496 2.414 30 10 JEEE Cn1c(NN=Cc2cc(Br)ccc2O)nc2c1c(=O)n(Cc1ccccc1)c(=O)n2C 2328612131 COQGAAWPARKXAL-UHFFFAOYSA-N 483.326 2.396 30 10 JEEE C#CCOC(=O)NS(=O)(=O)c1ccc(CNC(=O)C=Cc2ccc(OC)c(OC)c2)cc1 2330263323 GLPPDFYHMBRBBL-UHFFFAOYSA-N 458.492 2.082 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(C)C[C@H]2CCCN2C(=O)OC(C)(C)C)n1C 2362333857 ALJADZVSKWPJET-MRXNPFEDSA-N 462.400 2.499 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C2(CC2)C1 2362336006 CGPPQZOMQLTIMI-OAHLLOKOSA-N 460.384 2.381 30 10 JEEE C=CCn1c(=O)c(=O)n(CC(=O)NCCCN2CCN(c3cc(C)ccc3C)CC2)c2ccccc21 33268763 ZTLZLKWFGQHFRM-UHFFFAOYSA-N 489.620 2.295 30 10 JEEE C/C(=N\Nc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@H](O)COc1cccc(C)c1)c1ccccc1 33644318 SSNAIGVSWBSOST-NLTKLDOMSA-N 462.510 2.008 30 10 JEEE C=CCNC(=O)CN1CCN(C(=O)CCN(c2ccc(C)cc2)S(=O)(=O)c2ccccc2)CC1 512714158 NIHDOOWKVVOWGL-UHFFFAOYSA-N 484.622 2.027 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)C[S@](=O)CC(=O)Nc3cccc([N+](=O)[O-])c3)cc21 586348228 FCEMUQFANWUGLF-YTTGMZPUSA-N 457.464 2.076 30 10 JEEE C#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(CCOC)CC(=O)O 757282476 YBKKCTYIXZBOAU-QFIPXVFZSA-N 450.491 2.477 30 10 JEEE COC[C@]1(C(=O)O)CCN(C(=O)C#CCNC(=O)OCC2c3ccccc3-c3ccccc32)C1 757472881 BXKVSURLJQVRCF-SANMLTNESA-N 462.502 2.478 30 10 JEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCO[C@@H](c3cccc(OC(F)F)c3)C2)c1 1153142099 BMXKGOLARVZCGA-LJQANCHMSA-N 450.463 2.413 30 10 JEEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N[C@@H](CO)CN(C)C)ccc1Cl 1157004462 XTWZQUBFGQGXIQ-QGZVFWFLSA-N 451.976 2.374 30 10 JEEE C=CCNC(=O)c1ccc(NC(=O)N2CCn3ncc(I)c3C2)cc1 1214815468 PVPNVNAGHYRUGG-UHFFFAOYSA-N 451.268 2.451 30 10 JEEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1286337908 ACKMTLMELDVGRU-HNNXBMFYSA-N 451.980 2.144 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCc1n[nH]c(C)n1)[C@@H]1CCS(=O)(=O)C1 1286383664 DOUHMKMNHVBZQM-AZUAARDMSA-N 497.625 2.331 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccccc2Cl)n1CCN/C(O)=C1/N=CC=CC1=O 1286464281 YVHQYZZRQNOMPX-VZCXRCSSSA-N 454.918 2.211 30 10 JEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1286503910 HCNYBDPBEDMEKI-DLBZAZTESA-N 462.620 2.289 30 10 JEEE C=C(C)COCCn1c(C2CCC2)nnc1N1C[C@@H]2[C@H](C1)[C@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1286611250 HAOJJINTHIWBHJ-GUDVDZBRSA-N 495.646 2.265 30 10 JEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)N[C@@H](C)c1ccccc1 1286727261 NUTGLEAZHBKNIW-AZUAARDMSA-N 476.647 2.363 30 10 JEEE CC(C)Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC1(S(C)(=O)=O)CCCC1 1287474729 FXNUEWJUUYTVDR-GOSISDBHSA-N 486.646 2.211 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1C[C@@]1(O)CCC[C@H]1C 1288152907 HKVPAXJIOFGLFF-OSPHWJPCSA-N 469.565 2.305 30 10 JEEE CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1CC1(S(C)(=O)=O)CCCC1 1297652418 DIGVBFUYIJFKIK-KRWDZBQOSA-N 493.655 2.434 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2C[C@@H]2CCOC[C@H]2OC)c1 1300332701 LGWDCIOYYYSBMV-SIKLNZKXSA-N 462.554 2.391 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCCN1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1300495865 KDIPGURJGRTWHT-RTWAWAEBSA-N 463.648 2.268 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1Cc1cccnc1OCC)[C@@H]1CCS(=O)(=O)C1 1300498098 GQWXKPQZTKMAAK-HXUWFJFHSA-N 483.569 2.477 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@@](C)(O)CCC)[C@@H]1CCS(=O)(=O)C1 1300499857 YLUYYUOGKJBZAP-XXBNENTESA-N 460.600 2.055 30 10 JEEE C#CCN(CC)c1nnc(-c2ccc(Br)s2)n1CCN1CCCS1(=O)=O 1300611814 LTPLBNGBOOKRDN-UHFFFAOYSA-N 458.407 2.264 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1CC1(N(C)C)CCOCC1 1300656791 COMKNLWCIJKNLR-UHFFFAOYSA-N 479.423 2.243 30 10 JEEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCN(c2nc(CC)ns2)CC1 1300766529 DZDFAVVDKMSODH-UHFFFAOYSA-N 454.629 2.371 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCS(=O)(=O)CC1 1300875074 MMRAJYYKCPQNJF-JXFKEZNVSA-N 462.572 2.178 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(O)cc2)CC1 1300877058 VYDGRNSRSUPXKZ-RXVVDRJESA-N 454.575 2.430 30 10 JEEE C=C(C)COCCn1c([C@H]2CCCO2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1301001852 OLLLBCXCBYVUFQ-RTWAWAEBSA-N 454.575 2.071 30 10 JEEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1301187764 BSOBOVKXAXOBIN-KRWDZBQOSA-N 488.614 2.078 30 10 JEEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@@H](COCC)C1 1301497964 HNSKWCYGVHCDOD-MRXNPFEDSA-N 451.531 2.149 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@H](NC(=O)CC)C1 1301514305 IXMYURRITNRWEM-IBGZPJMESA-N 454.575 2.271 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC(=O)N(C)CC)C1 1301568193 PYSULHXNHVUHGQ-FGTMMUONSA-N 462.595 2.308 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1301585853 CIJLMIHBGCYQSX-LJQANCHMSA-N 472.571 2.047 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCO[C@@H](C)C1 1301587426 ZTAUYRLACSMRAI-KRWDZBQOSA-N 486.598 2.062 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(C)(C)N1CCC(OC)CC1 1358971813 JPCRDDNWZXWRAY-UHFFFAOYSA-N 483.638 2.311 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2Cc2ccc(C#N)o2)CC1 1359031271 WFQDECVEOXQTTF-UHFFFAOYSA-N 454.332 2.314 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2CC2(O)CCN(C(C)C)CC2)CC1 1359042370 CUWHZDWIYDCHNB-UHFFFAOYSA-N 494.640 2.155 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H]2CCC[C@H](O)C2)CC1 1359042653 ORJIMBJLLBYSKL-NQIIRXRSSA-N 481.597 2.479 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2Cc2cc(OC)ccc2OC)CC1 1359044136 WRYXEIOYKJEFHX-UHFFFAOYSA-N 460.538 2.371 30 10 JEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 1359060258 PEJMWJAKVXXHCZ-IBGZPJMESA-N 459.538 2.297 30 10 JEEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CCN(CCOC)[C@@H](CCC)C1 1359086637 DMZVOIPZDXFIAL-KRWDZBQOSA-N 469.428 2.246 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccc2C)nnc1N1CCO[C@H](CNC(C)=O)C1 1359100496 CIPAPMGCEVHYIF-ZDXQCDESSA-N 453.587 2.500 30 10 JEEE C=C(C)COCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1359134165 MMAHIJWYGBQFJE-JOCHJYFZSA-N 488.583 2.483 30 10 JEEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1359137647 WELNUDOYGMLROY-RUIUOMPFSA-N 450.580 2.368 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CCCC2)CC1 1359189773 UTBLZETUIXGJOP-FQEVSTJZSA-N 480.679 2.278 30 10 JEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1CN1CCCCC1 1359240378 MVNVZYVMWVNEJZ-JOCHJYFZSA-N 488.658 2.267 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1359305297 ZIYOCWJKRICLNA-QZTJIDSGSA-N 458.950 2.060 30 10 JEEE CC(C)CCN(CCC#N)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(O)cc1 1359929369 DKXPNGRQTITFIQ-FQEVSTJZSA-N 476.603 2.131 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCCN(c3nc(CC)ns3)CC2)ccc1F 1360863484 UOROBPVXIHIEKG-UHFFFAOYSA-N 453.565 2.056 30 10 JEEE CNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C(C)C)N2CCOCC2)C1 1503745447 FPZHGMDOIBLMAU-VXKWHMMOSA-N 465.602 2.136 30 10 JEEE CS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 1505134553 HZEVEMCACJSBMC-QGZVFWFLSA-N 487.504 2.321 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCc2cc(OC)ccc21 1507538087 KJBJLWSSPONTEL-KPLVRAHFSA-N 487.626 2.198 30 10 JEEE C#CCN(c1nnc(C(C)C)n1C[C@@H](c1cccs1)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1507623428 RXMUPAFGEMPYSE-MOPGFXCFSA-N 477.656 2.163 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CCOC)[C@H]1CCS(=O)(=O)C1 1507628539 PCDKHVSOKUTDCM-SFHVURJKSA-N 462.572 2.014 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(C)cc1N1CCOCC1 1507636266 AHCDHDCPTATLAI-UHFFFAOYSA-N 469.549 2.192 30 10 JEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1CCc1ccn(-c2ccc(F)cc2)n1 1507672939 JNSDKTKORJNEQG-UHFFFAOYSA-N 459.529 2.431 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(C(=O)N(CC)CC)cc2)CC1 1507731576 MAAVFKXUBXXANA-HSZRJFAPSA-N 464.614 2.458 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)CN(C)C)CC1 1507740184 JPRVENLFIDKIFS-UHFFFAOYSA-N 477.613 2.282 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(OC(C)C)cc2)CC1 1507740573 NTVLNOSFSQFEKZ-UHFFFAOYSA-N 478.597 2.202 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2Cc2nncn2C)CC1 1507740986 RMMVJHAXFPSCEJ-UHFFFAOYSA-N 490.612 2.297 30 10 JEEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](Oc2ccccn2)C1 1507784265 HTWQPYMJDGNNKP-GJZGRUSLSA-N 468.377 2.142 30 10 JEEE C=C(C)COCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1507838048 JNQZRAUXFQCICO-YKSBVNFPSA-N 477.613 2.398 30 10 JEEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1507937309 SMAUQNTVMCYRLX-FQEVSTJZSA-N 480.617 2.415 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c(-c2cnccn2)nnc1N1CC[C@]2(CNC(=O)C2)C1)C(C)C 1508015042 ZWYBZBWLKITWMW-RDPSFJRHSA-N 450.591 2.150 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@H](C(=O)N[C@@H](C)CCC)C1 1508079548 YMTOIHSBGKSJRO-HKUYNNGSSA-N 482.585 2.497 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Br)cc2)nnc1N1CC[C@H](COC)C1 1508091530 MGHLPQZVLQYPEQ-HNNXBMFYSA-N 464.364 2.395 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H]1Cc1ccccc1 1508132295 WSZQWWAKRGGRKJ-HXUWFJFHSA-N 457.600 2.326 30 10 JEEE CC(C)NC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1509754029 HETFRXHDZVMUEX-FQEVSTJZSA-N 455.538 2.382 30 10 JEEE CCCn1nc(-c2nnc(N(C)C[C@@H](C)C#N)n2CC2CCS(=O)(=O)CC2)c2ccccc2c1=O 1514983209 BYXZIHRRQWTRKW-KRWDZBQOSA-N 497.625 2.486 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2cccn2C)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1519129727 BYGCPOAVLWJKKA-OAQYLSRUSA-N 497.625 2.090 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@H]1CCCCS1(=O)=O 1539026185 RIZYZIPKDFZSPR-FYYLOGMGSA-N 484.670 2.068 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1Cc1ccc(OC)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1539211692 NGXRCZAAGLPAIJ-QGZVFWFLSA-N 457.531 2.106 30 10 JEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1C[C@](C)(O)c1ccco1)[C@@H]1CCS(=O)(=O)C1 1539226054 UAWJRWGEYMBXSS-NLFFAJNJSA-N 498.605 2.199 30 10 JEEE C#CCN(c1nnc(COCC)n1CCc1csc(C(C)(C)C)n1)[C@@H]1CCS(=O)(=O)C1 1539231802 WPUYWZJCAOIPAX-QGZVFWFLSA-N 465.645 2.438 30 10 JEEE C#CCN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1CCCCN1CCN(CC)CC1 1539361721 CEBXOBSQKQUZDN-UHFFFAOYSA-N 462.602 2.471 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CC[C@H](OCC)C(C)C)CC1 1539436101 JINLFZZAVJOKHB-QFIPXVFZSA-N 463.590 2.127 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2CC(C)(C)N2CCOCC2)CC1 1539483286 VMHOTUUXAMCUQQ-UHFFFAOYSA-N 478.641 2.254 30 10 JEEE C=C(Cl)Cn1c(COc2ccc(OC)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1539821686 SZNSGZZDLURKRY-KRWDZBQOSA-N 460.922 2.091 30 10 JEEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)C1=O 1539989138 BIVHXBKDNBXXID-KRWDZBQOSA-N 453.417 2.266 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCOC(C)(C)C1 1540134251 UTXNEIIHMCRTQL-OAQYLSRUSA-N 473.643 2.484 30 10 JEEE C=CCN(CC=C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCN1CCN(C(C)=O)CC1 1540162561 QFCSAHBJYLEBMJ-UHFFFAOYSA-N 452.559 2.059 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)OCCCO2 1540201674 YEHCGBBRUDHHPT-GOSISDBHSA-N 462.572 2.029 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(c2nccnc2C)CC1 1540863052 OHUMCBXUZKNLFJ-SFHVURJKSA-N 480.548 2.284 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2Cc2ccc(C(N)=O)nc2)C1 1540882611 LLEVFZGGAOIPMF-HXUWFJFHSA-N 475.553 2.471 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1540905456 WJMQNMITJPTUHW-HOCLYGCPSA-N 459.494 2.021 30 10 JEEE C=CCSCCn1c(-c2ccccc2OC)nnc1N1CCC(NS(C)(=O)=O)CC1 1540912596 FACHXOZUKIISGU-UHFFFAOYSA-N 451.618 2.391 30 10 JEEE CO[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1)c1ccc(F)cc1 1554656522 FSXFZDHTAOHSOK-WRWLIDTKSA-N 451.499 2.149 30 10 JEEE COc1ccccc1Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCCC(=O)N(C)C 1555076164 CSFVUUZWWHRMCT-UHFFFAOYSA-N 488.596 2.339 30 10 JEEE N#C[C@H]1CN(C(=O)c2cc(O)nc3ccc(S(=O)(=O)Nc4ccc(F)cc4)cc23)CCO1 1565582621 DULBDKSABVOFHR-HNNXBMFYSA-N 456.455 2.245 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCNS(=O)(=O)c1ccc(C)s1 1587627029 PWXSQEMGVAQJFU-AWEZNQCLSA-N 497.606 2.400 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@]1(C)CCCO1)[C@H]1CCS(=O)(=O)C1 1588041639 YXZJAOKNDODVHB-MBSDFSHPSA-N 474.583 2.158 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2CCc2nnc(C)s2)CC1 1588898916 HRGFGWCSKMEOBB-UHFFFAOYSA-N 465.583 2.322 30 10 JEEE C=C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCNS(=O)(=O)Cc2ccon2)CC1 1594009973 UNYLXMWFERXWQH-UHFFFAOYSA-N 499.597 2.411 30 10 JEEE C=CCN(c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCN1CCSCC1)C1CC1 1595034332 ZLLRFKHVBFIMDI-UHFFFAOYSA-N 476.672 2.399 30 10 JEEE Cn1nc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2CC(=O)NCC(F)(F)F)c2ccccc2c1=O 1618487949 FJMLEVOAEFLVBA-NRFANRHFSA-N 488.474 2.001 30 10 JEEE C[C@@H]1CN(c2ccc(CNS(=O)(=O)c3cccc(Br)c3C#N)cn2)CCO1 1661368461 HVROQAUOKTYXKW-CYBMUJFWSA-N 451.346 2.419 30 10 JEEE CCOC(=O)c1n[nH]c(C2CCN(S(=O)(=O)c3ccc(C#N)cc3C(F)(F)F)CC2)n1 1661726659 FTVZXONEAJYEBW-UHFFFAOYSA-N 457.434 2.440 30 10 JEEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCOC1CCOCC1 1689961416 WZYSTCUJWGLZOX-UHFFFAOYSA-N 450.543 2.330 30 10 JEEE C#CCN(C)c1nnc(COc2ccc(Br)cc2)n1C[C@H]1CC(=O)N(CCOC)C1 1689973852 SROZGPMHWSTJOY-INIZCTEOSA-N 476.375 2.184 30 10 JEEE C#CCSCCn1c(COc2ccccc2F)nnc1N1CCC(S(C)(=O)=O)CC1 1690184757 OJGAVNKAMCREMA-UHFFFAOYSA-N 452.577 2.376 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OC(C)C)CCOC2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1690194888 BIHPKTCCBZRJHL-LPPUWEFUSA-N 486.661 2.254 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](CN2CCCC[C@@H]2C)C1 1690659597 XPRZJQGUBUZWMQ-VQTJNVASSA-N 480.617 2.318 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc(C)n(C)c2=O)C1 1690688120 ORVYBMSDCUSYSO-YKSBVNFPSA-N 457.575 2.155 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1CCCN(C(C)(C)C)CC1 1690713968 APWGMXWPMINJOU-UHFFFAOYSA-N 468.668 2.108 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(C)[C@@H](C)c1ccc([S@](C)=O)cc1 1690722559 NNQGLIYMIDFGGM-ZYSBOAIWSA-N 476.628 2.214 30 10 JEEE CC(=O)N1CCN(CCn2c(Cc3c(F)cccc3F)nnc2N2CCC(C)(C#N)CC2)CC1 1690869891 VDGVCDLEMPJRIV-UHFFFAOYSA-N 471.556 2.441 30 10 JEEE CC(C)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC(F)(F)F)[C@H](C)C1=O 1692423747 FVUSVWKFLWDCAG-OAHLLOKOSA-N 477.491 2.188 30 10 JEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H](c1cccs1)N1CCOCC1 1705532120 GQHNZEPFRNORMO-MOPGFXCFSA-N 477.656 2.165 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CCN(C)C1CCCC1)[C@H]1CCS(=O)(=O)C1 1705568592 QZOHTLCLIXGBQD-QFIPXVFZSA-N 496.637 2.230 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1705571741 GYUPSMQLMSPDQH-NLWGTHIKSA-N 475.615 2.477 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1CCC(OC)CC1 1705575885 BURZLGQWLWIDDV-UHFFFAOYSA-N 469.611 2.473 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)N2C[C@@H](C)O[C@H](C)C2)CC1 1705637068 IDXXDKIVKFUVTQ-NHCUHLMSSA-N 461.614 2.460 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCc2ccc(F)c(F)c2F)CC1 1705644454 RBECMOPCRKCJSG-UHFFFAOYSA-N 476.503 2.042 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2CCCO[C@H]2CCOC2)CC1 1705645739 CSERUJPMEHSTFH-NRFANRHFSA-N 451.571 2.415 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN2C(=O)CC[C@H]2C1 1705652231 SNKZGSRPJBHVKY-IBGZPJMESA-N 452.584 2.325 30 10 JEEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 1705663112 WRWKNWZDWJPPNZ-UHFFFAOYSA-N 495.697 2.447 30 10 JEEE C=C(Br)Cn1c(-c2cccc(OC)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1705681751 CQKIKZYEDYUKCT-INIZCTEOSA-N 475.347 2.335 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC([C@@H]2CCCO2)CC1 1705896829 ZUAOIQOGNDJKIG-FQEVSTJZSA-N 473.599 2.046 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Br)nnc1N1CC[C@](C)(C(N)=O)C1 1705932371 CWTYCGWEDDIBKP-IBGZPJMESA-N 482.404 2.010 30 10 JEEE C=CCSCCn1c(Cc2ccccn2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1705947365 JAVXQYHWCXQAKN-UGKGYDQZSA-N 469.659 2.172 30 10 JEEE CN(C)C(=O)CCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(CC#N)CC1 1710975977 CCBRPFIVTGIAQQ-UHFFFAOYSA-N 458.588 2.347 30 10 JEEE CN(C)[C@H](Cn1c(CN2CCCC2=O)nnc1N1CC[C@@](F)(C#N)C1)c1c(F)cccc1F 1710997798 GEXPIXUHMJTZDE-VGOFRKELSA-N 461.492 2.424 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(NC(N)=O)cc1 1722390697 FAIOPKNFOQZJNV-XMMPIXPASA-N 450.543 2.321 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccccc2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1722424614 SPOKDTPHBLTJGP-NHCUHLMSSA-N 457.600 2.235 30 10 JEEE C=C(Br)Cn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@@H](CNC(C)=O)C1 1722484979 LSUQWALQQUCJGE-AWEZNQCLSA-N 470.318 2.397 30 10 JEEE C=C(Cl)Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)Cc2cccc(OC)c2)CC1 1722543392 HPSKJLLYESJPAG-UHFFFAOYSA-N 460.966 2.069 30 10 JEEE C=CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 1722687833 MWTKVOUNPBCOKD-GHTZIAJQSA-N 454.623 2.143 30 10 JEEE C=CCn1c(COc2ccccc2OC)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1722690840 GFADRVPHDWYNHH-UYAOXDASSA-N 454.575 2.041 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1722702300 MYWYZRQPRLNBRV-IBGZPJMESA-N 450.543 2.162 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(Cc2ccccc2OC)CC1 1722724880 AECVVADNPZDXRG-UHFFFAOYSA-N 482.610 2.272 30 10 JEEE CO[C@H](Cn1c(Cc2cccnc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C)C(C)C 1729892407 FMOANCMFOLPRNZ-GHTZIAJQSA-N 461.574 2.312 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2CC2(O)CCN(C(C)C)CC2)c1 1740561714 BAUKLAUIWWNFAI-UHFFFAOYSA-N 488.596 2.027 30 10 JEEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H](C)N1CCN(c2ccccc2)CC1 1740601058 WDIHZACCXYLHTC-SQJMNOBHSA-N 452.603 2.210 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H]2CCOC[C@H]2C)CC1 1740696632 ZENNWZLQDGMTBW-NJYVYQBISA-N 488.633 2.014 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@H]2CCCN2CC)CC1 1740703195 JJZVCLCLKKTJHW-OAQYLSRUSA-N 450.587 2.404 30 10 JEEE C=CCC(C)(C)Cn1c(N2CCC(N(C)S(C)(=O)=O)CC2)nnc1[C@]1(OCC)CCOC1 1740852196 JLUNAOWNHHLTRE-QFIPXVFZSA-N 469.652 2.393 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1740966907 YSZJJNBAKBOIOH-KKIGLAAZSA-N 461.607 2.273 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1740966973 ZDSZLWOTUSHHLV-ZHALLVOQSA-N 462.595 2.214 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ccccc2Cl)C1 1740982454 UMMMGTNPOHRZCK-AZUAARDMSA-N 496.033 2.288 30 10 JEEE CC(C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CC(=O)NCCc1ccccc1 1741371588 FKWUTOOUZSGBNA-IBGZPJMESA-N 473.585 2.137 30 10 JEEE CCCCN1CCCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1 1745488778 GFJVJRHVCDHYPZ-HKUYNNGSSA-N 451.641 2.283 30 10 JEEE CCCN1CC[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@H](C(=O)OC)C2)C1 1745691766 HOBOFBQLGHKHAB-WOJBJXKFSA-N 452.559 2.460 30 10 JEEE CN(CCN1CCOCC1)c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CCCCC1 1747973618 HYRMHDYGDXXRKL-UHFFFAOYSA-N 454.575 2.192 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCC[C@]2(CCOC2)O1 1748651929 UEWAZDQAKSPJDA-MFSJNOQSSA-N 487.626 2.382 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(COc2cccc(C)c2)n1CCS(=O)(=O)N1CCSCC1 1748684315 GPKWNEMVXFAUGZ-GOSISDBHSA-N 463.629 2.002 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2CCCn2ccnn2)c1 1748695081 WIJZZYAUYDQNBO-UHFFFAOYSA-N 455.526 2.002 30 10 JEEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1748698416 VDTOYNFMQWSMCN-JOCHJYFZSA-N 486.580 2.078 30 10 JEEE C#CCN(c1nnc(-c2nnc(O)c3ccccc23)n1CCCC=C)[C@H]1CCS(=O)(=O)C1 1748815501 QVRPIVMZHQJBEP-INIZCTEOSA-N 452.540 2.187 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@]2(N(C)C)CCC[C@H](C)C2)CC1 1748972344 GOHZZOGCGXIVKD-CPJSRVTESA-N 464.618 2.191 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H]2CCOC2)CC1 1749003884 YPXBBAZUQZDREI-HNNXBMFYSA-N 475.391 2.048 30 10 JEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 1749033820 NIFURQXCMGFPOG-KRWDZBQOSA-N 462.620 2.431 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCOCC2)cc1 1749143798 MLNUZVWVBMWYIJ-SFHVURJKSA-N 462.620 2.176 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccn(Cc2ccccc2)n1 1749159187 QICOVWBEXOTVNE-QFIPXVFZSA-N 499.641 2.307 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(-n2cccn2)cc1 1749159230 QTKURPHQMKHVLQ-NRFANRHFSA-N 485.614 2.247 30 10 JEEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCN(c2nc(C)cc(OCC)n2)CC1 1749434077 GVMYJDNTWOEDEQ-UHFFFAOYSA-N 454.579 2.190 30 10 JEEE C=CCNC(=O)Cn1c(N2CC[C@]3(C)[C@@H](C2)C3(Cl)Cl)nnc1[C@]1(OCC)CCOC1 1749681971 LJQITTBPFWXJLN-ZMYBRWDISA-N 458.390 2.253 30 10 JEEE C=CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1749745871 KIGQGORZEVZUFM-INIZCTEOSA-N 481.644 2.352 30 10 JEEE C=CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC(=O)N(C)C[C@@H]1C 1749756179 UKGTZICPVREURQ-DLBZAZTESA-N 480.635 2.173 30 10 JEEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1749766136 JRMAUYYXKLGQOD-CNNODRBYSA-N 451.637 2.222 30 10 JEEE C#CCCCn1c(N2CCN(CC(=O)N3CCCCCC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1760159453 HKLYRUZHMFSRDG-SANMLTNESA-N 486.661 2.257 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1Cc1c(CC)noc1C)[C@@H]1CCS(=O)(=O)C1 1760183676 CRSXESJZOZFWLU-LJQANCHMSA-N 464.551 2.351 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Br)n1CC[S@@](=O)CC)[C@@H]1CCS(=O)(=O)C1 1760185495 YDFXQRSBJADFHX-JMGYQRAPSA-N 499.456 2.103 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc3cccnc23)n1CCS(=O)(=O)NC(C)C 1760214640 WRKIQHSMWVYGGP-UHFFFAOYSA-N 450.568 2.284 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H](C)CN1CCN(CC)CC1 1760232476 GSKOOAQBLLFNEL-NRFANRHFSA-N 490.656 2.408 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCCO[C@H]2C(C)(C)C)CC1 1760271164 ODCQMCNWXSAUDJ-NZQKXSOJSA-N 484.645 2.208 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 1760315444 FOCHVSBKOBTOBC-VPWXQRGCSA-N 490.586 2.340 30 10 JEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1760440419 JOKPXFCWCIXQMV-QZTJIDSGSA-N 455.625 2.361 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1760529215 ZSBMQDHJWXSIOJ-DENIHFKCSA-N 485.633 2.426 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC(=O)N2CCOCC2)C1 1760537647 PPXLXCCADRIZBC-FXAWDEMLSA-N 459.522 2.197 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCO[C@@H](COc2ccccc2)C1 1760555727 LNPRCWUJRPTCHD-NHCUHLMSSA-N 476.599 2.405 30 10 JEEE COc1cc([C@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2C[C@@H](C)O)cc(OC)c1O 1862742349 CCLXPNUVNPTNGY-ZMZPIMSZSA-N 458.423 2.277 30 10 JEEE COc1cc(-n2nnc(C#N)c2NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc(OC)c1OC 1870149151 HNDZGSHCNZLEPD-MRXNPFEDSA-N 476.493 2.152 30 10 JEEE N#Cc1ccc(COc2cn(CCCN3CCOCC3)c(CN3CCC(CO)CC3)cc2=O)cc1 1870349460 OLXVHYBFOOXWQC-UHFFFAOYSA-N 480.609 2.226 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)Nc2ccc(OC)cc2OC)cn1CCCO 1870391405 JUINLWSYJMCUJD-UHFFFAOYSA-N 471.554 2.439 30 10 JEEE COCCc1nnc(SCC(=O)Nc2nccs2)n1/N=C/c1ccc2c(c1)OCCO2 1874470466 HGGYTOCCDASQAE-SRZZPIQSSA-N 460.541 2.308 30 10 JEEE CC(C)N1C(=O)CS[C@H](C(=O)NCc2nnnn2-c2ccc(F)cc2)[C@H]1c1ccc(C#N)cc1 1891737617 WOFWJMBRDBIKGN-YADHBBJMSA-N 479.541 2.383 30 10 JEEE N#Cc1nccnc1OCC1CCN(C(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)CC1 1892175284 KAAYUJDFNISZQQ-UHFFFAOYSA-N 475.596 2.128 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](O)C[C@H]1C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2185152256 VIEVQRZDZRGQPZ-OALUTQOASA-N 460.380 2.362 30 10 JEEE CN(CCNC(=O)OC(C)(C)C)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2247905450 UBNIMOWXQWEKRS-UHFFFAOYSA-N 460.427 2.334 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C1)[C@@H]2NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2255748683 HCYLENLEGAZAFW-AGGWBTHJSA-N 470.422 2.191 30 10 JEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1ccsc1B1OC(C)(C)C(C)(C)O1 2255802179 VPVMRKIAEWXJEK-HUUCEWRRSA-N 452.382 2.411 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CC[S@](=O)(=NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2255853856 VJJIIKAOQXHIRY-JKGBWWFKSA-N 453.370 2.219 30 10 JEEE CC(C)(C)OC(=O)N1CCCC[C@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2256620935 OLNAAPPTLIUMCB-ZDUSSCGKSA-N 452.386 2.235 30 10 JEEE C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1csc(B2OC(C)(C)C(C)(C)O2)c1 2256621134 QTAMBWHRRGVEKJ-CJNGLKHVSA-N 454.398 2.280 30 10 JEEE CC[C@H](CN(CC)C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2267131166 XUVPJMXCMYIEGE-OAHLLOKOSA-N 450.389 2.485 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](NC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)CCO1 2267149709 ARZMWITVLYBECZ-KBPBESRZSA-N 467.397 2.244 30 10 JEEE C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)CCO1 2267291171 MMBGCOGICJWNNC-GDBMZVCRSA-N 450.341 2.333 30 10 JEEE CC1(C)OB(c2csnc2C(=O)N2C[C@@H]3OCCN(Cc4ccccc4)[C@@H]3C2)OC1(C)C 2267488872 VKKPCMVOTHFUJF-MOPGFXCFSA-N 455.389 2.168 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1CCN(S(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2267705254 GKGFVJJEYSTZBU-CQSZACIVSA-N 487.453 2.119 30 10 JEEE COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1NC(=O)[C@H](O)[C@@H](C)NC(=O)OC(C)(C)C 2268654166 VXKLQXOTOOSVEH-CXAGYDPISA-N 450.341 2.207 30 10 JEEE CC1=C(B2OC(C)(C)C(C)(C)O2)CCN(C(=O)[C@@H](CCC(N)=O)NC(=O)OC(C)(C)C)C1 2268716134 MFOUUAAIYAGZTL-MRXNPFEDSA-N 451.373 2.325 30 10 JEEE Cn1ncc(C(=O)N[C@@]23CCC[C@H]2N(C(=O)OC(C)(C)C)CC3)c1B1OC(C)(C)C(C)(C)O1 2281817394 LHZKTEZOACSCOY-WAIKUNEKSA-N 460.384 2.381 30 10 JEEE Cc1ccnc(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)c1B1OC(C)(C)C(C)(C)O1 2282009069 MQPVAFVWZVCJPI-HXUWFJFHSA-N 451.376 2.320 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2C[C@H](NC(=O)c3ncncc3B3OC(C)(C)C(C)(C)O3)C[C@H]21 2282175596 XNTFVEIZDDTNBB-LJIGWXMPSA-N 458.368 2.197 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)CCO1 2282180862 YEIMPNSRFIHEAA-IRXDYDNUSA-N 461.368 2.183 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@]2(CCN(C(=O)c3ccoc3B3OC(C)(C)C(C)(C)O3)C2)C1 2282209772 WXMLSRUVZYETNZ-HSZRJFAPSA-N 462.352 2.431 30 10 JEEE Cn1cc(C(=O)N2C[C@@H](NC(=O)OC(C)(C)C)CC(C)(C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2282578519 SIZPTOIAZJNBON-HNNXBMFYSA-N 462.400 2.485 30 10 JEEE Cn1cc(C(=O)N2C[C@H](CNC(=O)OC(C)(C)C)CC2(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2282583519 KUKGGDVLLHYBMO-HNNXBMFYSA-N 462.400 2.485 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@](O)(CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2282685897 LPTCTHFLGUJKAM-DEOSSOPVSA-N 460.380 2.478 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)c3sccc3B3OC(C)(C)C(C)(C)O3)C[C@H]2[C@@H]1CO 2282686192 PGWUUQCFVWRUIX-UXLLHSPISA-N 478.420 2.347 30 10 JEEE CC(C)(C)OC(=O)NC[C@]1(F)C[C@@H](CNC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2283071329 CYJRMVKEXKTLPE-XLOAEROZSA-N 464.347 2.149 30 10 JEEE CC(C)(C)OC(=O)N1CC(O)(CC(=O)NCc2cc(B3OC(C)(C)C(C)(C)O3)ccc2F)C1 2283953402 SJTGFVZMALITDW-UHFFFAOYSA-N 464.343 2.113 30 10 JEEE Cc1ccc([C@@H]2C(=C(O)c3c(C)nc4ccccn34)C(=O)C(=O)N2CCN2CCOCC2)o1 2296098551 AWXUBEZCPZXQDZ-OAQYLSRUSA-N 450.495 2.298 30 10 JEEE C=CC1(NC2(C(=O)O)[C@H]3COC[C@H]2CN(Cc2ccccc2)C3)CN(C(=O)OC(C)(C)C)C1 2345134994 WCSGPJQLISUCGY-WOJBJXKFSA-N 457.571 2.353 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC(F)(F)[C@](C)(NC(=O)OC(C)(C)C)C1 2361916909 WSRJUUSCDACAQA-HXUWFJFHSA-N 470.326 2.094 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC23CC3)n1C 2362331949 KFYUFTFLGHFAGD-HNNXBMFYSA-N 460.384 2.157 30 10 JEEE Nn1c(N/N=C/c2ccc(Br)cc2)nnc1SCC(=O)Nc1nccs1 21316032 AIWLZOIIVFOIKE-CNHKJKLMSA-N 453.351 2.388 30 10 JEEE C=CCn1nc(C)c(/C=N/Nc2nnc(SCC(=O)N[C@H](C)c3ccccc3)n2N)c1C 59829920 GVAZNILYKPKZRF-CHOFVFFHSA-N 453.576 2.407 30 10 JEEE N#C[C@H]1C(=O)Nc2nc(N3CCC4(CC3)OCCO4)[nH]c(=O)c2[C@@H]1c1cccc(Br)c1 72444301 LZRDCLHRNQPHIM-HUUCEWRRSA-N 486.326 2.099 30 10 JEEE COCCCN1C(=O)C(=O)/C(=C(\O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@@H]1c1ccc(OC)cc1 102544784 LYKLBSCJPWDGRO-AGGMBTAESA-N 488.562 2.404 30 10 JEEE CCOc1cn(-c2ccccc2)nc1C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 482018234 URTZOTKOPHGYBI-UHFFFAOYSA-N 465.535 2.289 30 10 JEEE C=CCOc1ccccc1CN(C(=S)NCCNS(C)(=O)=O)c1ccc2c(c1)OCO2 727068402 FWOQIVVRKLPJKJ-UHFFFAOYSA-N 463.581 2.410 30 10 JEEE CC(C)Cn1c(=C(C#N)C(=O)N[C@H]2CCCC[C@@H]2C)sc(=Cc2cnn3ccccc23)c1=O 729671996 SKTXNCVXWUKWRK-PXNSSMCTSA-N 463.607 2.411 30 10 JEEE C#CCN(CC(=O)O)C(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)OCC 757310732 UJQWVLYTLUBJRW-QFIPXVFZSA-N 464.474 2.003 30 10 JEEE COCCSc1nnc(NC(=O)CSc2nnc(NN=Cc3ccc(C)cc3)n2N)s1 1084609958 MZHXSIBEHNLGGI-UHFFFAOYSA-N 479.617 2.067 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2Cc2nccc(C(F)F)n2)c1 1286310758 YYRSXJTUYGSWOW-KRWDZBQOSA-N 480.479 2.061 30 10 JEEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC(S(=O)(=O)CC)CC1 1286336166 HDTDNSXPRYQKDN-UHFFFAOYSA-N 463.629 2.477 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@@H](C)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1286387956 XEOVOPNZXCWNJO-MOPGFXCFSA-N 459.616 2.311 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCCSC)CC1 1286486735 HZGPZCOATWABMX-UHFFFAOYSA-N 489.667 2.458 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 1286562619 GZEGUKVAYAROJU-ZJOUEHCJSA-N 464.636 2.380 30 10 JEEE C=C(C)COCCn1c(-c2cc(Br)cn2C)nnc1N1CCC(OCC(N)=O)CC1 1286604418 KKAJLISLHDANIL-UHFFFAOYSA-N 481.395 2.110 30 10 JEEE C=CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CCOc1ccc(S(C)(=O)=O)cc1 1286715253 FJAFNNDASJLYGP-UHFFFAOYSA-N 456.528 2.030 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(Br)cc2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1286822422 DHUCGTKJYAUOLI-QAPCUYQASA-N 499.431 2.428 30 10 JEEE CC(C)Cc1nnc(N2CCN(c3oc(C4CC4)nc3C#N)CC2)n1CCC(=O)NC(C)C 1287468551 GQOKVTPMXHZIHL-UHFFFAOYSA-N 454.579 2.455 30 10 JEEE C[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C(N)=O)C1)N1CCC[C@@H](C)C1 1291107315 HZTSKMPSIZMUFB-HBFSDRIKSA-N 451.575 2.161 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CCCN1CCN(c2ccccc2)CC1 1300509714 SNJAQBWBUSJTCH-UHFFFAOYSA-N 482.592 2.211 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2ccccc2OC)n1C[C@]1(N2CCOCC2)CCSC1 1300537510 BPMHOVCAHHJYQZ-RUZDIDTESA-N 465.623 2.158 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCCCCC2)nc1 1300556139 COTYVVURPIXIHN-HXUWFJFHSA-N 483.642 2.175 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@](C)(O)C2CC2)CC1 1300716711 PKAZMPRPGASWTJ-RUZDIDTESA-N 467.570 2.089 30 10 JEEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C(C)(C)C)C1 1300991408 SLJYTJYJHFRQSW-ZWKOTPCHSA-N 455.625 2.076 30 10 JEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2cc(OC)c(OC)cc2C1 1301222793 GLFKLHUZRINWJW-NRFANRHFSA-N 491.614 2.157 30 10 JEEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1301457819 BULBAWKPSYOZRM-WZONZLPQSA-N 462.595 2.074 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC[C@H](OCC(F)(F)F)C2)nnc1[C@]1(OC(C)C)CCOC1 1301517652 AJDOOZDLBVIQAC-JXFKEZNVSA-N 475.512 2.169 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1301588901 LKLHZZQDIOECGF-GOSISDBHSA-N 450.609 2.262 30 10 JEEE C=CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(C(=O)NCC)CC1 1301611391 BUYKLONPLDVKQS-UHFFFAOYSA-N 485.662 2.223 30 10 JEEE CC1CCN(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2cccc(C#N)c2)CC1 1305106489 DUNJQJUPMCJLHF-OAQYLSRUSA-N 456.616 2.420 30 10 JEEE CCN1CCN(C[C@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1313955067 DZFCGDBXJVLXAP-NBGIEHNGSA-N 480.592 2.444 30 10 JEEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1358929678 FSHHQLJFDPVPLJ-MBSDFSHPSA-N 493.630 2.015 30 10 JEEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1CC(C)(C)C1)[C@H]1CCS(=O)(=O)C1 1358958074 HDIBVZDDIORGJX-IBGZPJMESA-N 490.651 2.412 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCN(CCC)C1)[C@H]1CCS(=O)(=O)C1 1358958235 JXFUAQUQBODOFY-NQIIRXRSSA-N 486.598 2.212 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCOC[C@H]1CCOC1 1358979015 AGUWEEALGHDVFZ-RTWAWAEBSA-N 487.601 2.103 30 10 JEEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1CCCN1CC 1359024667 SGKYJQPBXJKCSY-NRFANRHFSA-N 452.607 2.022 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@H]2CCCN2CCCO)CC1 1359038888 OOPMVISJLHOJOB-HSZRJFAPSA-N 466.630 2.076 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CCS(=O)(=O)c2ccccc2)CC1 1359040757 FXBAITLNEADBNH-UHFFFAOYSA-N 457.600 2.015 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCc2n[nH]c(C)n2)CC1 1359042793 UKWGLBBFCABHJJ-UHFFFAOYSA-N 452.950 2.234 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CC(C)(C)N2CCC(OC)CC2)CC1 1359045191 ZGXYJSUJDJJGJD-NRFANRHFSA-N 486.661 2.027 30 10 JEEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](C(=O)OC)C1 1359152420 WNFPMVJAHYVTET-GJZGRUSLSA-N 455.943 2.338 30 10 JEEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2nc3ccccc3o2)CC1 1359221899 RAPSPFCLONOUJP-UHFFFAOYSA-N 453.547 2.477 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c(C)nnc1N1CCN(c2cncc3nc(C)nn23)CC1)C(C)C 1359265090 XWKWZLOBLXGNMJ-OAQYLSRUSA-N 464.622 2.358 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCN(CC(=O)NC(C)C)CC1 1359294149 LSZCNIHAOZPCLV-SFHVURJKSA-N 499.685 2.080 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCN2CCCS2(=O)=O)C1 1359313481 MSRYGLDVVFHLJT-ZWKOTPCHSA-N 479.578 2.374 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCOc2ncccc2Cl)C1 1359321807 LZAWAGFRTXBNGR-JKSUJKDBSA-N 467.979 2.089 30 10 JEEE CCC(CC)[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cn2)CC1)N(C)C 1496661562 DQWXKMQZGMPZOA-RTWAWAEBSA-N 479.633 2.189 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@](C)(O)c1ccco1 1504873172 CAAYTYJKBRZOFQ-CYFREDJKSA-N 464.526 2.255 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@]1(OC)CCOC1 1507533689 OPBNKVOBYXWXGE-XDHUDOTRSA-N 450.543 2.328 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1Cc1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1507640771 VVVIRZOWQMEKEK-IBGZPJMESA-N 469.567 2.445 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1507700705 UPWOYQHLSZFBFF-NYDSKATKSA-N 491.589 2.005 30 10 JEEE C=C(C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(C(=O)COC)CC1 1507829533 BDWVGAXPMCXKNM-GOSISDBHSA-N 462.595 2.264 30 10 JEEE C=CCCCCn1c(-c2noc3c2COCC3)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1507935438 PLIZEBULVVPLPG-UHFFFAOYSA-N 464.592 2.222 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2csc(-c3ccco3)n2)C1 1508118110 WRTGYNYVNIPTAF-HOCLYGCPSA-N 478.600 2.434 30 10 JEEE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3cccc(C#N)c3)n2CCCCN2CCC[C@H]2CO)C1 1508188881 URXGMPYGEMTQCQ-UPVQGACJSA-N 479.629 2.358 30 10 JEEE C#CCCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1539049810 UPZIOFXRRPRRFC-GOSISDBHSA-N 468.558 2.330 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1ncccc1C)[C@H]1CCS(=O)(=O)C1 1539205944 KTICLLASBHEKCO-IBGZPJMESA-N 466.523 2.232 30 10 JEEE C#CCN(c1nnc(COc2ccccc2CC)n1CCc1nccnc1C)[C@H]1CCS(=O)(=O)C1 1539229416 CKAILVRFMINNIL-NRFANRHFSA-N 494.621 2.387 30 10 JEEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1cccc(C(N)=O)c1 1539370418 BXZFEFSHINDPAT-HXUWFJFHSA-N 482.585 2.388 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(N2CCCCC2)nc1 1539392871 YIHPMMLKYLUJQM-UHFFFAOYSA-N 451.575 2.034 30 10 JEEE C#CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1539505912 FOEUGWCKOLMECL-UHFFFAOYSA-N 482.654 2.455 30 10 JEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC(CN2C[C@H](C)O[C@H](C)C2)CC1 1539525757 BPANMEAUSOUNDP-BGYRXZFFSA-N 474.675 2.093 30 10 JEEE C=C(C)COCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1539727983 ATZAMKNOJFZLOA-UHFFFAOYSA-N 481.557 2.142 30 10 JEEE C=CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 1540855967 IZSZOSPUHCVZSU-MRXNPFEDSA-N 454.984 2.056 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1540870286 JHSMFNAYRNXCSZ-OAHLLOKOSA-N 451.453 2.193 30 10 JEEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(CC(C)(C)C)n1C[C@@H]1CCCN1CCCO 1544581905 BLALLTDOUAQZTJ-UXHICEINSA-N 481.649 2.090 30 10 JEEE C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cccc(C(=O)NC(CO)CO)c1 1545885839 JYUXXUACGPSNJP-UHFFFAOYSA-N 458.458 2.170 30 10 JEEE CCOC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)CN2CCOCC2)CC1 1547794778 FYEYFDLKNZAJGL-IBGZPJMESA-N 467.574 2.064 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CC1(N2CCOCC2)CCCCC1 1587555964 LNOPSENSHASROR-LJQANCHMSA-N 451.575 2.418 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(Cl)c(OCC)c(OC)c1 1588139535 OOZGJIVIKRFXOX-KRWDZBQOSA-N 476.986 2.362 30 10 JEEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1589060576 UASJFZITWKUQCJ-FQEVSTJZSA-N 460.648 2.021 30 10 JEEE C=C(Br)Cn1c(N2CC[C@H](N3CCN(C(C)C)CC3)C2)nnc1[C@]1(OCC)CCOC1 1589459808 DJPLRWPOOPTJQT-UGKGYDQZSA-N 497.482 2.444 30 10 JEEE C=C1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CCC(=O)N2CCOCC2)CC1 1594036986 ZVNOMVFNMHCCFF-UHFFFAOYSA-N 471.558 2.376 30 10 JEEE C=CCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1594824368 HHZYPDCSHDMWOQ-QUCCMNQESA-N 452.515 2.256 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nc(C(F)(F)F)cs1 1595218719 MKRVXOILTLUQSZ-CYBMUJFWSA-N 492.549 2.313 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(c2ncccc2F)CC1 1595576987 FHCAPSVQAMIUNF-UHFFFAOYSA-N 490.543 2.282 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)c2ccccc2)CC1 1595772994 LRFJOXHPICPSML-UHFFFAOYSA-N 469.567 2.410 30 10 JEEE COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](c2ccco2)N(C)C)CCO1 1619753905 GMSQVXGBIQSDAX-NHCUHLMSSA-N 466.542 2.476 30 10 JEEE COCCN(CCC#N)c1nnc([C@H]2CCCCO2)n1C[C@H](N1CCOCC1)C(F)(F)F 1619912610 HRASVFFRNSSMKN-SJORKVTESA-N 460.501 2.149 30 10 JEEE CS(=O)(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cccc(C(F)(F)F)n2)CC1 1620169760 GAZZNJHNCIDAJQ-UHFFFAOYSA-N 491.499 2.360 30 10 JEEE CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c1 1634193572 GIJZIXDIYWERFC-LEWJYISDSA-N 456.568 2.177 30 10 JEEE C=CCOC[C@@H](NC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)c(C)c1)C(=O)OC 1635159147 UCMFTLMKGBLAMA-LJQANCHMSA-N 450.488 2.409 30 10 JEEE C=CCC[C@H](NC(=O)c1cc(S(N)(=O)=O)cc(Br)c1Cl)C(=O)OCC 1635698938 QGNFPWRJMUKGNM-LBPRGKRZSA-N 453.742 2.378 30 10 JEEE C#CCN1CCC[C@@H](NC(=O)NCc2ccnc(N3CCN(c4ccc(F)cc4)CC3)c2)C1 1675509760 IEWXTSJVQXCAOZ-JOCHJYFZSA-N 450.562 2.444 30 10 JEEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1689920820 KYRSGPORYUWKBI-MRXNPFEDSA-N 459.480 2.407 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@H](C1CC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1689993606 HXSWMCYAUKMFAD-FGZHOGPDSA-N 455.628 2.030 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OCCCC)c(OC)c3)n2C[C@]2(O)CCOC2)CC1 1690119489 HLMMBRQYKDVWNZ-RUZDIDTESA-N 469.586 2.039 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccccc3F)n2CCn2cc(Br)cn2)CC1 1690119581 KUYNWKCRQPBCFD-UHFFFAOYSA-N 458.339 2.499 30 10 JEEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(CC(F)F)CC1 1690182549 CBRVEDSHRKEHLA-UHFFFAOYSA-N 454.572 2.023 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OCCC)c(OC)c2)n1CCS(=O)(=O)NC 1690199968 GDLNEXSPMWOQKA-JOCHJYFZSA-N 461.588 2.284 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1690676404 ZBPNXNZNWUWGAF-UHFFFAOYSA-N 483.617 2.360 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC[C@H](NC(=O)CC)C1 1690717380 DOYOEHZLTJPPFR-IBGZPJMESA-N 497.625 2.431 30 10 JEEE COc1cc2c(cc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(CC#N)CC1)O[C@H](C)C2 1697314502 HNXNFLQZYMARMZ-HZPDHXFCSA-N 488.614 2.399 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1705559669 DQCBTXAJCPUDPZ-MRXNPFEDSA-N 469.489 2.336 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CCSCCCO)[C@H]1CCS(=O)(=O)C1 1705563358 VUNVETSRLVOVMF-SFHVURJKSA-N 469.032 2.341 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(=O)N(C)CC 1705596509 GUYLOPXBUDAIQD-IBGZPJMESA-N 456.591 2.334 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccccc2Br)n1Cc1nnnn1CC1CC1 1705624474 CKXDJTOBXXLSNG-UHFFFAOYSA-N 471.363 2.238 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H](CC(C)C)N(C)C)CC1 1705633918 BSFSRIJOQCMRKR-NRFANRHFSA-N 472.659 2.080 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H](C)CN2CCN(CC)CC2)CC1 1705636335 GIOUWUNXWDVUHI-FQEVSTJZSA-N 471.053 2.022 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](c2c(F)cccc2F)N(C)C)CC1 1705649070 JFZPBARFBHXWAG-NRFANRHFSA-N 496.566 2.226 30 10 JEEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(=O)c2ccc(F)cc2)CC1 1705812259 VBWZIDXHSXLCEJ-MRXNPFEDSA-N 478.594 2.392 30 10 JEEE C=CCN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1705846646 NMQJBXQWOYYSQR-DLBZAZTESA-N 478.644 2.096 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1cn[nH]c1 1705856693 BOZHHTMOSCPVIZ-IBGZPJMESA-N 456.572 2.347 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(c2ncccc2F)CC1 1705896347 JUOIIGSDEWRGKV-UHFFFAOYSA-N 481.532 2.125 30 10 JEEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1C[C@@H](C)CC(C)(C)C1 1705900763 OKBSAZFBUFAGJJ-INIZCTEOSA-N 459.620 2.413 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1705930576 QIOQZXKCNCCEDS-CALCHBBNSA-N 453.609 2.305 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1705933321 CARBDRQRQNKFDU-SFHVURJKSA-N 499.593 2.385 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N(C)C1CC1 1705934428 MHKVBXWBDMNMFF-UHFFFAOYSA-N 456.572 2.264 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H](C(=O)OC)C1 1705935325 NQAJOYVJOBMWSE-OAHLLOKOSA-N 468.526 2.137 30 10 JEEE Cc1cc([C@@](C)(O)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(CC#N)CC2)c(C)o1 1707042379 GSLYAGFFJIIXNN-VFNWGFHPSA-N 464.592 2.136 30 10 JEEE Cc1ccc(C)c(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCCN2CCC(O)CC2)c1 1707336228 BHGDQNNFCJDAFI-OAQYLSRUSA-N 454.575 2.050 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2CCCN2CCOC2=O)c1 1722304823 IUBQARMCXWHFJK-UHFFFAOYSA-N 459.510 2.239 30 10 JEEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1722332528 MGQKMXGMULXPDX-SFTDATJTSA-N 488.633 2.158 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H](OC)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1722360807 JXDKKLHFAWAQNZ-CTNGQTDRSA-N 451.552 2.355 30 10 JEEE C#CCN(c1nnc(-c2nnc(O)c3ccccc23)n1CCC(C)(F)F)[C@H]1CCS(=O)(=O)C1 1722368645 SJUMLFAXNRPOHO-AWEZNQCLSA-N 476.509 2.266 30 10 JEEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1Cc1ccccc1 1722538307 WSJXFQMHUBMQMA-FCHUYYIVSA-N 489.642 2.415 30 10 JEEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1722732242 IZQCIRLMSMSIKS-APWZRJJASA-N 476.628 2.257 30 10 JEEE C=CCSCCn1c(Cc2ccccn2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1722741729 VCQAIYBEMUDLJM-UHFFFAOYSA-N 450.634 2.043 30 10 JEEE Cc1ccc([C@@H](Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@@H](C#N)C2)N(C)C)cc1 1724262235 GSZFWAFRRNXEKP-VQTJNVASSA-N 460.542 2.266 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@](C)(O)c1ccco1 1740538957 LUGUWRXRSATVMF-OPAMFIHVSA-N 457.556 2.154 30 10 JEEE C#CCN(c1nnc(-c2cc(C)nc3ccccc23)n1CCOCCOC)[C@H]1CCS(=O)(=O)C1 1740619402 OBFJYLGPAWREOO-IBGZPJMESA-N 483.594 2.091 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC[C@@H]1COCCO1 1740685768 QRLFJWNSHCVYPQ-VQTJNVASSA-N 477.606 2.284 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1740708862 DERYNYHMZGTJOT-HNNXBMFYSA-N 467.521 2.365 30 10 JEEE C=C(C)Cn1c(N2CCN(c3nc(C)cc(OCC)n3)CC2)nnc1[C@@]1(OCC)CCOC1 1740786266 XODDKECHYIJYKY-HSZRJFAPSA-N 457.579 2.330 30 10 JEEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1740794336 XPGJDUVWNGDTPN-SFHVURJKSA-N 452.563 2.431 30 10 JEEE C=CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1740879318 JUAVEIQHHDICLR-QHCPKHFHSA-N 462.602 2.455 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(COC)CC1 1740986688 DXUDREJNQNERME-UHFFFAOYSA-N 472.409 2.499 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1740987603 JWDMXANWRJUVAI-QHCPKHFHSA-N 486.598 2.040 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1coc(-c2ccccc2)n1 1741924707 DBEHRUATXNYQMF-XOBRGWDASA-N 459.507 2.034 30 10 JEEE CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@H](c1ccc(F)cc1)N(C)C 1747186598 ASOPLAGPWLABKT-JOCHJYFZSA-N 495.607 2.497 30 10 JEEE C#CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](S(C)(=O)=O)C1 1748717747 HNSMVLPOYVBBHS-ZWKOTPCHSA-N 481.619 2.013 30 10 JEEE C#CCCCn1c(Cc2ccccc2OC)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1748756672 QZSQHOHEVPJETN-UHFFFAOYSA-N 450.587 2.035 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1CC(F)(F)CO1)[C@@H]1CCS(=O)(=O)C1 1748808021 GGDNEPXEMUYYRH-APWZRJJASA-N 496.536 2.013 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@@H](C)SC)[C@@H]1CCS(=O)(=O)C1 1748824196 KWYRHISNJSRENG-HZPDHXFCSA-N 452.577 2.374 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1748831830 ZQDKFMWONUYHHX-SFTDATJTSA-N 491.571 2.381 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](OC)c1ccc(Cl)cc1 1748864440 XBHUHZKFLBMPGC-VQIMIIECSA-N 463.991 2.392 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@]1(O)CCS(=O)(=O)C1 1748882451 SKENXYKSSGOWJM-GAJHUEQPSA-N 472.636 2.144 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](CC)Oc2cccc(F)c2)CC1 1748971568 VLTLIIMIKYCSSR-HXUWFJFHSA-N 454.550 2.266 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCc2nc(C)no2)CC1 1749006291 MLTSHDOGIAKDBE-UHFFFAOYSA-N 468.949 2.284 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCCNC(=O)OC(C)(C)C 1749053080 BBBZXGMGKZPYTL-IIBYNOLFSA-N 468.624 2.185 30 10 JEEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1749103137 RYTSXVONCZDTGX-ROUUACIJSA-N 453.429 2.297 30 10 JEEE COCC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[S@](=O)C(C)(C)C)CC1 1749256464 FKJJHJAPHUUHAA-XIFFEERXSA-N 472.615 2.095 30 10 JEEE C=C1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CCS(=O)(=O)NC(C)C)CC1 1749288050 KTVACLWODCCBAU-UHFFFAOYSA-N 479.603 2.455 30 10 JEEE C=CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](NC(C)=O)C1)c1ccccc1 1749382458 MJUIWGLZZRXRTD-IOMROCGXSA-N 474.631 2.353 30 10 JEEE CC(C)NS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@](C)(C#N)C1 1751005649 HHKFKVVQKUXING-NRFANRHFSA-N 464.567 2.454 30 10 JEEE Cc1cc([C@@](C)(O)Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(S(C)(=O)=O)CC2)c(C)o1 1751386186 FGCVDNBQUIYHKA-QHCPKHFHSA-N 484.582 2.016 30 10 JEEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCn1cc(Br)cn1 1760170499 FPRZFRZZNMVARV-UHFFFAOYSA-N 481.358 2.311 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1CC[C@H](N1CCOCC1)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1760181823 BZHCOQFYXCRAQQ-KURKYZTESA-N 491.580 2.072 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CC(F)(F)CNC(=O)OC(C)(C)C 1760193465 GFKIQFORACYWCJ-UHFFFAOYSA-N 473.484 2.158 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H](C)N1CCC[C@@H](C)C1 1760200409 GZMZFHRLWBWJNF-WOJBJXKFSA-N 457.582 2.385 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2cccnc2OCCC)CC1 1760255819 PPWHMOWNZACMAU-UHFFFAOYSA-N 494.621 2.336 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCC2(O)CCOCC2)CC1 1760257016 MYKIBBIOQDLFHC-LJQANCHMSA-N 457.550 2.244 30 10 JEEE C#CCSCCn1c(N(C)[C@@H](C)CC(N)=O)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1760286824 WLPGIRYWGXQYCF-HRCADAONSA-N 450.609 2.115 30 10 JEEE C=CC1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC(=O)NCC(F)F)CC1 1760398977 UHFUYPMUGXHGSF-UHFFFAOYSA-N 453.515 2.132 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C2CCC1(C)CC2 1760522658 YJWKIOIMOOWRSG-WCCYLALTSA-N 460.579 2.410 30 10 JEEE C=CCNC(=O)Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1760526583 CNPSBFIPKFTBTI-XMMPIXPASA-N 487.004 2.270 30 10 JEEE C=CCNC(=O)Cn1c(N2CCc3c(cccc3OC)C2)nnc1[C@]1(OC(C)C)CCOC1 1760528517 FSGDGPFCOJFOMA-DEOSSOPVSA-N 455.559 2.192 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1760698023 AXAXGWDQUMLJEU-LDQXTDLNSA-N 481.601 2.056 30 10 JEEE CC(C)OC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCN(C)C(C)(C)C2)CCO1 1761303687 HFRCKMBSXXUXKK-QHCPKHFHSA-N 481.645 2.473 30 10 JEEE CCNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2nnc(CC)s2)CC1 1767242656 DNLSKZMHTWGFAJ-UHFFFAOYSA-N 481.586 2.042 30 10 JEEE COc1cc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2CCCNC=O)cc(Cl)c1O 1862566200 QLDAVFPBTBYKQC-GOSISDBHSA-N 459.886 2.351 30 10 JEEE C=CCN(CC=C)C(=O)[C@H](Cc1ccc(OC(C)=O)cc1)NC(=O)CCc1nn2c(C)nnc2s1 1868898896 GSCLSGOFXNWQPC-FQEVSTJZSA-N 496.593 2.280 30 10 JEEE CC(=O)NCc1nnc(SCC(=O)Nc2ccccc2F)n1/N=C/c1ccc(O)cc1O 1874430853 AWKWDNLOFQRONY-NUGSKGIGSA-N 458.475 2.078 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCOCC[C@@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2180966779 REBFGUDOENMKII-HOTGVXAUSA-N 462.356 2.034 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](O)CN1C(=O)c1csc(B2OC(C)(C)C(C)(C)O2)c1 2255704073 CBSWYJGWPXRNNT-HUUCEWRRSA-N 452.382 2.147 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1NS(=O)(=O)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2255801164 ZHIZYCXYGRJYQN-SJORKVTESA-N 452.382 2.071 30 10 JEEE Cc1c(B2OC(C)(C)C(C)(C)O2)csc1C(=O)N(CCO)CCNC(=O)OC(C)(C)C 2255870096 DIGAOMZWEQFPCF-UHFFFAOYSA-N 454.398 2.315 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1CNS(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2255950153 IFTDKCQYRMCXCP-GDBMZVCRSA-N 452.382 2.177 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@]2(NS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2255951977 NDFGOGHPRBCPRO-RNODOKPDSA-N 470.422 2.335 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(CNC(=O)[C@@H](O)[C@H](C)NC(=O)OC(C)(C)C)s1 2256621003 PJMVYQYPZKVRLJ-BBRMVZONSA-N 454.398 2.246 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC(C)(C)N(C)C(=O)OC(C)(C)C 2267190249 LVCHBAIHSMGDAH-UHFFFAOYSA-N 450.389 2.403 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCO[C@H]2[C@@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2267279133 HRMFVRAUCBFBIC-WBQNTZJQSA-N 464.393 2.458 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)[C@H](CO)C1 2267286580 PKGCREPSMZKOTN-HOCLYGCPSA-N 466.409 2.395 30 10 JEEE C[C@H]1CN(Cc2ccccc2)C[C@@H]1NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2267473486 GSJZYXJUOZFKTI-WMZOPIPTSA-N 477.461 2.382 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C[C@H]1CO 2267487263 NZRYBTWUUJHJCO-WMLDXEAASA-N 466.409 2.395 30 10 JEEE C=C(CS(=O)(=O)NC[C@@H](C)N1CCN(C(=O)OC(C)(C)C)CC1)B1OC(C)(C)C(C)(C)O1 2267720147 LERXZXMLGMVYHI-QGZVFWFLSA-N 473.445 2.035 30 10 JEEE CC1(C)OB(c2nccnc2C(=O)N2CC3(CC(NC(=O)OCc4ccccc4)C3)C2)OC1(C)C 2267879185 GALMDQVEYNMEJF-UHFFFAOYSA-N 478.358 2.307 30 10 JEEE CC1(C)OB(c2cccc(NC(=O)[C@](C)(NC(=O)C(F)(F)F)C(F)(F)F)n2)OC1(C)C 2268613683 XPHNLCPMRVMFHA-HNNXBMFYSA-N 455.164 2.319 30 10 JEEE Cn1ncc(C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)c1NC(=O)OC(C)(C)C 2268639487 PVURFICSUYJKKE-UHFFFAOYSA-N 463.369 2.453 30 10 JEEE CC(C)(C)OC(=O)NC[C@@]1(F)CC[C@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2268644898 NNXXISXZFRCAQW-FKIZINRSSA-N 470.376 2.231 30 10 JEEE CN(Cc1csc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)[C@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C 2268656118 SUOUQMNJSGANAB-HZPDHXFCSA-N 466.409 2.376 30 10 JEEE COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1NC(=O)[C@@H](CCO)NC(=O)OC(C)(C)C 2268721777 PYFLPQCIRUILFU-MRXNPFEDSA-N 450.341 2.209 30 10 JEEE C=C(CN(C)C(=O)[C@@H]1CO[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O1)B1OC(C)(C)C(C)(C)O1 2268764321 AWYAMFGDJZRMSV-BBWFWOEESA-N 452.357 2.036 30 10 JEEE CC1(C)OB(c2csc(S(=O)(=O)N[C@H](COCc3ccccc3)CC(=O)O)c2)OC1(C)C 2269042000 XJUVHYFQERXJMB-KRWDZBQOSA-N 481.401 2.386 30 10 JEEE Cc1cnc(C(=O)NCCN(C[C@@H](C)O)C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2281958168 RHYDROMWOCLOAQ-MRXNPFEDSA-N 463.384 2.037 30 10 JEEE Cn1cc(C(=O)N2C[C@H]3CC[C@@](NC(=O)OC(C)(C)C)(C3)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2281973582 UGBBQCCQFDOBKZ-NPMXOYFQSA-N 460.384 2.239 30 10 JEEE Cn1cc(C(=O)N2[C@H]3CC[C@H]2CN(C(=O)OC(C)(C)C)CC3)c(B2OC(C)(C)C(C)(C)O2)n1 2281974027 VGRWHFXIIJIVDO-HOTGVXAUSA-N 460.384 2.333 30 10 JEEE CCn1cc(C(=O)N[C@@H]2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)nc1B1OC(C)(C)C(C)(C)O1 2282044103 RKDNSPBMMIHZJK-BZUAXINKSA-N 460.384 2.187 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@@H](NC(=O)c2cccc(F)c2B2OC(C)(C)C(C)(C)O2)C1 2282408321 CFBQFKTUFMZBLN-HNNXBMFYSA-N 464.343 2.491 30 10 JEEE CO[C@H]1CN(C(=O)c2ccc(F)cc2B2OC(C)(C)C(C)(C)O2)C[C@H]1NC(=O)OC(C)(C)C 2282410933 YPSRQZUXFFWJMA-MSOLQXFVSA-N 464.343 2.489 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H]2OCCN(C(=O)c3ncsc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2282519555 KKXOAOBODJTSDW-GJZGRUSLSA-N 479.408 2.293 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2C(CNC(=O)c3ncc(B4OC(C)(C)C(C)(C)O4)cc3F)[C@H]2C1 2282536485 CVYBJMKYUCPZDJ-HZPDHXFCSA-N 461.343 2.363 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2C[C@H]3[C@H]2CCN3C(=O)OC(C)(C)C)n1 2282537096 LRPHSGGKRYQOTK-ZOBUZTSGSA-N 460.384 2.095 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 2282537157 MHUOEXKDLHGXFU-OAHLLOKOSA-N 460.384 2.239 30 10 JEEE Cc1c(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282551322 CLCAHAWOBXSIIS-GDBMZVCRSA-N 462.400 2.261 30 10 JEEE C[C@@H]1CN(C(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)C[C@]1(C)CNC(=O)OC(C)(C)C 2282569641 USFMNBNQERXJRA-CMJOXMDJSA-N 462.400 2.342 30 10 JEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCN(Cc3ccccc3)CC(C)(C)C2)n1 2282626647 CZDWPHNYGDBZST-UHFFFAOYSA-N 453.396 2.099 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)c1 2282679739 DRXCWUDRJKCUOY-IEBWSBKVSA-N 460.380 2.252 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H](O)C2)c1 2282700574 RLBPGQKSQOAFHM-QGZVFWFLSA-N 460.380 2.348 30 10 JEEE Cc1nc(NC(=O)[C@@H]2[C@H](C)OCCN2C(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2283958099 VRSXGJVEMDHPET-HOCLYGCPSA-N 462.356 2.047 30 10 JEEE Cc1c(C=C2SC(=S)N(Cc3ccco3)C2=O)c(N2CCN(C)CC2)n(C)c(=O)c1C#N 2314435747 IBRYKHGGUPFYHT-UHFFFAOYSA-N 469.592 2.312 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1[C@H]2C[C@@H](CN(C(=O)[C@H]3C[C@H]3B3OC(C)(C)C(C)(C)O3)C2)[C@H]1CO 2334263861 PNSBXJIUVZODAZ-WEVKCVHISA-N 450.385 2.449 30 10 JEEE COc1nc(OC[C@H](CN(C)C)NC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2339826939 WKKDZGMWWDKMKB-HNNXBMFYSA-N 451.373 2.223 30 10 JEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](C(=O)N2CC[C@](C)(B3OC(C)(C)C(C)(C)O3)C2)C1 2342480243 BETGNPUYNRTOLS-BTYIYWSLSA-N 472.413 2.105 30 10 JEEE CNC(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)[C@H]1C[C@H]1B1OC(C)(C)C(C)(C)O1 2343295405 OGBUUCMLOMMQKG-OWCLPIDISA-N 451.373 2.053 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C2)n1C 2362332425 NHHGDSJDGFDJSO-GDBMZVCRSA-N 462.400 2.403 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@]12CCC[C@@H]1CN(C(=O)OC(C)(C)C)C2 2362343471 GXJLMOUKXZFOBZ-CMJOXMDJSA-N 460.384 2.239 30 10 JEEE COc1cc(CNC(=O)CSc2n[nH]c(N/N=C/c3ccc(O)c(OC)c3)n2)cc(OC)c1 58994936 AZNWEYKJJNPOQY-FOKLQQMPSA-N 472.527 2.391 30 10 JEEE CCOC(=O)C1CCN(c2nc3c(c(=O)[nH]2)[C@@H](c2cc(F)cc(F)c2)[C@@H](C#N)C(=O)N3)CC1 72444762 JPCAIIXEKCWLGT-CVEARBPZSA-N 457.437 2.051 30 10 JEEE Cc1nc2ccccn2c1/C(O)=C1/C(=O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccc([N+](=O)[O-])cc1 102516091 DWOSYGHWAAFVEI-MBDQKHHZSA-N 491.504 2.305 30 10 JEEE C[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@@H]1CCCN(c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 204863549 KSYCKQKPHZMJKU-SJLPKXTDSA-N 489.426 2.116 30 10 JEEE Cc1cc(-n2cnc(I)c2I)ccc1/C(N)=N/O 306036936 MJSDBXNJUKBYLD-UHFFFAOYSA-N 468.036 2.484 30 10 JEEE COCCN=c1scc(-c2ccc3c(c2)NC(=O)CO3)n1N=C1C(=O)N(C)c2ccccc21 606347557 XFRUEEZWAZNMEB-UHFFFAOYSA-N 463.519 2.323 30 10 JEEE COC(=O)CCCn1c(=C(C#N)C(=O)c2ccccc2F)sc(=Cc2cnn3ccccc23)c1=O 729670446 SATGMLKRADYFPR-UHFFFAOYSA-N 490.516 2.036 30 10 JEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CC3(CCOCC3)[C@H]2c2cnn(CC(C)C)c2)cc1 849529724 ZPGVVUPIQHWWBK-JOCHJYFZSA-N 470.595 2.445 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)[C@H](C#N)C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc2C1=O 916957883 ATZFFGZDKFAUDY-FQEVSTJZSA-N 483.484 2.228 30 10 JEEE Cc1nn(CCO)c(C)c1C=NNc1nc(SCC(=O)Nc2c(F)cccc2F)n[nH]1 1083914339 AKPDPLLIXATZDE-UHFFFAOYSA-N 450.475 2.065 30 10 JEEE CCOC(=O)c1c(NC(=O)[C@H]2CC(=O)N(c3ccccc3OC)C2)c(C#N)cn1CCOC 1125068530 AOWAUHUMAWFTPQ-HNNXBMFYSA-N 454.483 2.183 30 10 JEEE C[C@H]1CN(CC(=O)Nc2c(C#N)c3c(n2-c2ccccc2)CCCC3)CCN1S(C)(=O)=O 1192730412 HLQROEJZFZRPSZ-KRWDZBQOSA-N 455.584 2.132 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCCO3)n2C[C@@H]2CC(=O)N(CCOC)C2)c1 1286310930 HYXNWTDXKWGGRH-IFMALSPDSA-N 494.596 2.071 30 10 JEEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CC(C)(C)CC)[C@H]1CCS(=O)(=O)C1 1286385637 YAZCQOZRECURQD-PGRDOPGGSA-N 452.621 2.382 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(c2ccccc2OC)CCC1 1286409260 JIDGLRBKXGRZQB-LJQANCHMSA-N 452.580 2.384 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1286422396 ZCIKJRDLBJFPLJ-XZOQPEGZSA-N 476.606 2.484 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[C@@H](OCC)C2CCCC2)CC1 1286490438 KXQZOFXWPKWBET-LEWJYISDSA-N 470.618 2.180 30 10 JEEE C=C(Br)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@@H](OCCOC)C1 1286535892 UCMWGTQSDCNVGL-GOSISDBHSA-N 489.378 2.461 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C(=O)OC)CC1 1286548558 TUXMEDIHXWRERP-HKUYNNGSSA-N 454.531 2.296 30 10 JEEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2cccc(Cl)c2)CC1 1286585422 GPXNZYZXEYTNFP-MRXNPFEDSA-N 453.012 2.440 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)OCCOC)nnc1N1CCC[C@@]2(C1)OCc1ccccc12 1286780208 MYJVKINWINYMEK-UUOWRZLLSA-N 455.559 2.330 30 10 JEEE C=CCOc1ccccc1Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1286799083 PPEUNUZUGQLUEX-IBGZPJMESA-N 473.599 2.027 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCNC(=O)C(C)C)C1 1286808626 CRRIJWYEVFITQX-MOPGFXCFSA-N 492.621 2.140 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1286815799 ASLCPWPDVAZGKF-CQSZACIVSA-N 465.542 2.287 30 10 JEEE CCN(CC)[C@@H](C)Cn1c(-c2cccn2C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1295369212 AXRXMZKIWPXMAF-OALUTQOASA-N 462.606 2.391 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1300283080 RYZYVFBURLXOJR-IFXJQAMLSA-N 467.389 2.024 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2CCCSC2)c1 1300332498 ICDRPJXHTCMRQW-PKOBYXMFSA-N 452.584 2.429 30 10 JEEE C#CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(CC(F)F)CC1 1300403435 LOEBYZQKUKJAIJ-UHFFFAOYSA-N 455.513 2.475 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1ccc(N(CC)CC)nc1)[C@@H]1CCS(=O)(=O)C1 1300501796 NSASXTQIYXCYNA-JOCHJYFZSA-N 493.637 2.180 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2CCCCN2CCC[C@@H]2CO)CC1 1300701373 QINGECXTWRUPKK-JOCHJYFZSA-N 454.594 2.000 30 10 JEEE C=C(Cl)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1301043711 BXZAJNULUOUYGB-RHSMWYFYSA-N 453.952 2.061 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCC2CCC(OC)CC2)CC1 1301087157 WIVPNIWOORMSQZ-SOAGJPPSSA-N 467.636 2.363 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC[C@H](CNC(=O)c2ccccc2)C1 1301506031 FMDMOJBYCIEXBU-OAQYLSRUSA-N 473.581 2.213 30 10 JEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC(NC(=O)c2ccc(F)cc2)CC1 1301508302 HNGYXRXYULVJOV-UHFFFAOYSA-N 497.600 2.474 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2ccc(OC)cc2OC)C1 1301558293 UYBDKDIZBLQDJY-QUCCMNQESA-N 476.599 2.221 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(OC)cc2)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1301592710 CYIUCGLMZBEFBT-MOPGFXCFSA-N 475.615 2.139 30 10 JEEE C#C[C@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1358897051 SAFSQISMWGVJPV-FUHWJXTLSA-N 453.513 2.251 30 10 JEEE C#CCCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1358908307 SFTUWKCFGOBCFJ-UHFFFAOYSA-N 482.585 2.340 30 10 JEEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1358930604 YPOKVGDVDJKELX-ULQDDVLXSA-N 461.519 2.114 30 10 JEEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCN(c2nccc(OCC)n2)CC1 1358936900 AZQGJMDEFIXIQU-FPOVZHCZSA-N 469.590 2.321 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1cccc(COC)c1)[C@H]1CCS(=O)(=O)C1 1358962165 LRAWEXCIFHGVBE-SFTDATJTSA-N 458.584 2.341 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1359296064 VWCNPEWVIVXOED-OYHNWAKOSA-N 461.950 2.294 30 10 JEEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1359301791 LBUAHJVKPCTQKH-MRXNPFEDSA-N 458.513 2.041 30 10 JEEE CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)c1 1458475372 ADFQVHOEPJUZLK-UHFFFAOYSA-N 454.552 2.066 30 10 JEEE Cc1cccc([C@@H](NCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C(=O)OC(C)(C)C)c1 1460867467 AHFVWGDUFILBGD-OAQYLSRUSA-N 453.543 2.484 30 10 JEEE N#Cc1ccc(N2C[C@H](C(=O)N3CCN([C@@H](CO)c4ccc(Cl)cc4)CC3)CC2=O)cc1 1466534830 ASZSLOYOIQSDHJ-KNQAVFIVSA-N 452.942 2.442 30 10 JEEE C[C@H]1CN(c2ccc(CNS(=O)(=O)c3ccc(Br)c(C#N)c3)cn2)CCO1 1474834070 FTXDNGLKWWGUFE-ZDUSSCGKSA-N 451.346 2.419 30 10 JEEE CN(C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCC=CO2)CC1)S(C)(=O)=O 1503436251 DCXZBSGPRSVBCO-NRFANRHFSA-N 486.598 2.282 30 10 JEEE CO[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1)C(C)C 1503983034 AQZOTMCVXVTJBN-VXKWHMMOSA-N 486.642 2.045 30 10 JEEE COc1cc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC2(N(C)C)CCC2)cc(OC)c1OC 1504078275 GCZTXTYBBAGBGY-QGZVFWFLSA-N 456.547 2.184 30 10 JEEE COc1ccc(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCO[C@H](C#N)C2)c(OC)n1 1504283707 AGTAPRGFHMJZRV-ZHALLVOQSA-N 456.547 2.386 30 10 JEEE C#CCCCCn1c(Cc2ccccc2F)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1507566278 IORGPTMJZZNMMD-OAQYLSRUSA-N 489.617 2.442 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCc1nnc(C)s1 1507666545 DUKRWMCOEMPYGM-UHFFFAOYSA-N 458.551 2.058 30 10 JEEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2C[C@H](C(C)C)N2CCOCC2)CC1 1507728256 WILIUAAAAUMVJM-XMMPIXPASA-N 466.630 2.278 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2CCCc2cnn(C)c2)CC1 1507734383 LBJXEINESFNVMY-UHFFFAOYSA-N 461.570 2.286 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CC2([S@@](C)=O)CC2)CC1 1507739875 GMCABHXGNALERH-UUWRZZSWSA-N 483.638 2.351 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCCc3ccccc3)n2C[C@]2(O)CCSC2)CC1 1507740775 PKYCWNMTCKOFAC-RUZDIDTESA-N 467.639 2.287 30 10 JEEE C=CCC(C)(C)Cn1c(C2CCCC2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1507915246 AQDLGFUBJKNUTJ-UHFFFAOYSA-N 456.595 2.005 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1ccccc1Cl)N(C)C 1507981355 KDBCLBHOOVATQY-OALUTQOASA-N 483.038 2.190 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2NC(=O)CC2(C)C)C1 1508119394 WCXUPAQATUDQAG-PKOBYXMFSA-N 473.599 2.045 30 10 JEEE CCC(O)(CC)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1513525472 FPSLNVFBWCNBNQ-UHFFFAOYSA-N 469.565 2.289 30 10 JEEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@H](Cc3nc(C4CCCCCC4)no3)C2)C1=O 1534077545 OZXQKHQTHCWOFZ-INIZCTEOSA-N 457.531 2.265 30 10 JEEE C#CCCCCn1c(-c2cc(Br)cn2C)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1539050243 ZRAVJQSNLJJABY-INIZCTEOSA-N 460.380 2.406 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCSCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1539223255 ZYSPOYVZVWSSHR-CABCVRRESA-N 466.551 2.442 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1Cc1ncccc1C)[C@@H]1CCS(=O)(=O)C1 1539230538 NRXDCSOGUQOWHS-LJQANCHMSA-N 469.542 2.375 30 10 JEEE C#CCN(CC#CC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCS(=O)(=O)NC 1539333899 ONZHIMGRCQSNJV-UHFFFAOYSA-N 457.600 2.167 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@](C)(O)c2ccc(F)cc2)CC1 1539430326 ILYKGZAZKNVEES-LOSJGSFVSA-N 471.577 2.121 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H]2CN(CC(C)C)CCO2)CC1 1539453158 FLQQPHKPLUHYQQ-QFIPXVFZSA-N 454.594 2.120 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccc(NC(=O)NC(C)C)cc2)CC1 1539462560 IOLPQRPPVVAPNW-OAQYLSRUSA-N 451.575 2.463 30 10 JEEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1539757987 GFBLWAXHBIVJMZ-UHFFFAOYSA-N 498.676 2.257 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1539902290 DFBNATIOXKXGSY-DLBZAZTESA-N 455.625 2.265 30 10 JEEE C=CCC(C)(C)Cn1c(-c2ccccc2Br)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1539910687 MPCJGKYOELAKPU-HNNXBMFYSA-N 487.402 2.457 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H](n2cncn2)C1 1540863025 NYUMXNWKGLSGIV-FUHWJXTLSA-N 454.510 2.292 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCCN(c2ncccc2F)CC1 1540869153 CZUFJUHMWVVHRR-UHFFFAOYSA-N 450.522 2.202 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1Cc2cc(Br)ccc2[C@H](C)C1 1540869721 VACFHDMDIVFWBE-DYVFJYSZSA-N 473.375 2.418 30 10 JEEE C#CCN(CC(=O)Nc1ccc2c(ccn2CC(=O)N2CCOCC2)c1)C(=O)OC(C)(C)C 1542442462 XIARTZQOROBYPV-UHFFFAOYSA-N 454.527 2.309 30 10 JEEE C[C@H]1CCCCN1CCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1 1544022778 AACDJAQKHJYTNG-FPOVZHCZSA-N 493.678 2.006 30 10 JEEE Cn1ccnc1C(=O)N1C[C@H](C(N)=O)C2(CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)C1 1548375501 OHZJVFKNRKLQPC-QGZVFWFLSA-N 460.460 2.155 30 10 JEEE N#Cc1ccc(N2C[C@@H](C(=O)Nc3ccc([C@@H]4CC(=O)NC(=O)N4)cc3)CC2=O)cc1Cl 1585502537 DPEACICPNRSJTE-KSSFIOAISA-N 451.870 2.474 30 10 JEEE C#CCN(c1nnc(-c2cc3c(s2)CCCCC3)n1CC(=O)NCC=C)[C@H]1CCS(=O)(=O)C1 1588034855 MMOADLVEAIMWEU-SFHVURJKSA-N 487.651 2.204 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1CCN1CCCCCC1)[C@@H]1CCS(=O)(=O)C1 1588064483 IVZTZTJPQSZNIM-JOCHJYFZSA-N 485.654 2.380 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](c2ccsc2)N(CC)CC)CC1 1588813285 WOUFKCCIHIETKA-RTWAWAEBSA-N 490.699 2.080 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H]2CCN(CC)C2)CC1 1588885334 VNBAHLBQBWGEEN-NRFANRHFSA-N 491.640 2.455 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)NC(C)(C)C)CC1 1588899882 ZEFFPPODBXLWHT-UHFFFAOYSA-N 461.570 2.087 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCCN(C(C)=O)CC1 1589504021 GPDZBUMXYYPLAZ-RBBKRZOGSA-N 487.626 2.388 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)c1nccs1 1595218245 IASSZZLFFGIMPF-JKSUJKDBSA-N 452.606 2.050 30 10 JEEE C=CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(CCOC)[C@@H](CC)C1 1595386773 FJTBTWRZWCJNOZ-SFHVURJKSA-N 451.575 2.408 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCN(c2ncccc2C#N)CC1 1595576895 BBFAVXWUZIRYHX-UHFFFAOYSA-N 472.553 2.061 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1CCNC(=O)C1CC1 1597479120 AGLIINWLEXTGEO-KSFYIVLOSA-N 461.542 2.318 30 10 JEEE CCN1CCN([C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)CC1 1615836871 AAKVEWJGUZWOQU-HSALFYBXSA-N 487.674 2.101 30 10 JEEE COc1ccc(OC)c([C@H](O)[C@H](C)NC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1 1634918147 AYIMJHMVOPQLSX-GJULWVSJSA-N 452.511 2.098 30 10 JEEE C=CCn1c(SCC(=O)C(F)F)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 1640709473 GYSLXUBFROTKJG-UHFFFAOYSA-N 458.512 2.078 30 10 JEEE C#C[C@H](NC(=O)c1cc(S(N)(=O)=O)cc([N+](=O)[O-])c1C)c1ccc(Br)cc1 1641517343 HIDYQAYPQYOWRV-HNNXBMFYSA-N 452.286 2.417 30 10 JEEE C#CCN(CC(=O)Nc1sc2c(c1C(=O)OCC)CC[C@@H](C)C2)[C@@H]1CCS(=O)(=O)C1 1657713300 ALGHYPWBNBYUAY-HUUCEWRRSA-N 452.598 2.110 30 10 JEEE CCOC(=O)c1cc2n(n1)C[C@H](C)N(S(=O)(=O)c1cc(Br)cc(C#N)c1)C2 1665589757 BGMDPJFBYSVKNZ-NSHDSACASA-N 453.318 2.287 30 10 JEEE CCNS(=O)(=O)c1ccc(CNS(=O)(=O)c2cccc(Br)c2C#N)cc1 1667886814 BQWNTXFNTBXKSD-UHFFFAOYSA-N 458.359 2.097 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cn2cc(Cl)cc(Cl)c2n1 1689826968 XQOBCDKLQJGZKA-NWDGAFQWSA-N 470.386 2.349 30 10 JEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OCc2ccccc2)CC1 1689892215 ARBJTPJYAGOJIR-OAQYLSRUSA-N 485.610 2.443 30 10 JEEE C#CCCCn1c(-c2ccc(C)o2)nnc1N1C[C@@H]2[C@H](C1)[C@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1689919182 FPOYRCSJWFVHKH-ZHALLVOQSA-N 489.598 2.386 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1CCN1CCCCCC1)[C@H]1CCS(=O)(=O)C1 1689986460 QLWMGUJMLHDOLN-FQEVSTJZSA-N 471.627 2.456 30 10 JEEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1Cc1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1689996231 FMRUBUMUUUPOCT-SFHVURJKSA-N 485.566 2.146 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@]1(O)CCS(=O)(=O)C1 1690034728 QDBQIJSNMKJULS-AREMUKBSSA-N 491.617 2.365 30 10 JEEE C#CCN(CCOC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCN1CCOC[C@@H]1C 1690103290 BQKMOAVABNKJSK-FQEVSTJZSA-N 490.649 2.199 30 10 JEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCCN(C(=O)c2ccccc2)CC1 1690153799 AXJRCZYZSMKVTJ-UHFFFAOYSA-N 466.611 2.233 30 10 JEEE C#CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(C(=O)C(C)C)CC1 1690165506 AOOSYLFSRLQSPP-UHFFFAOYSA-N 455.584 2.387 30 10 JEEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1690173228 ZAFWDGZBTCZAPE-FQEVSTJZSA-N 462.664 2.267 30 10 JEEE C#CCSCCn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1690179301 USNUJIOUIVETJZ-SJORKVTESA-N 460.629 2.141 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)c1ncc(C)s1 1690205907 BOZFDTAAWFKHJW-LUQKVYGDSA-N 478.644 2.172 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCOC[C@H](C2CCC2)C1 1690238918 PDXJDPMOSDRKKE-NBYUQASBSA-N 467.636 2.122 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CC(F)(F)F)CC1 1690717818 ROYCZOKPFHHZHD-UHFFFAOYSA-N 488.492 2.138 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(Cc2csc(CC)n2)CC1 1690722565 NQOLNPDSTXLJJE-UHFFFAOYSA-N 487.655 2.282 30 10 JEEE COCCN(CCC#N)c1nnc(Cc2cccnc2)n1CC1CN(C(=O)OC(C)(C)C)C1 1698062465 BRVFGSAREJUSPY-UHFFFAOYSA-N 455.563 2.497 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3OCC[C@H]3COC)n2CC[C@@H]2CCOC2)c1 1705508579 YEFDECLOOYFMSF-QTEQDKRBSA-N 467.570 2.485 30 10 JEEE C#CCCCCn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1705518538 NCLBNULYQVCEDF-UHFFFAOYSA-N 462.558 2.125 30 10 JEEE C#CCN(c1nnc(COc2ccccc2OC)n1C[C@H]1OCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1705568967 XLYPNRXBSGBDHE-WIYYLYMNSA-N 488.610 2.308 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(F)ccc2Br)n1Cc1ccc(C(N)=O)nc1 1705575324 GZMZGHAFGVDXBN-UHFFFAOYSA-N 467.302 2.462 30 10 JEEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCN1CCCCCC1 1705628683 MUHHOEMYWPMSII-UHFFFAOYSA-N 466.634 2.414 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCS(=O)(=O)CC2CC2)CC1 1705639977 AMQQJFHYCZGWQH-UHFFFAOYSA-N 462.019 2.102 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccccc2COC)CC1 1705648700 WVGCYPWCIFDXRE-JOCHJYFZSA-N 451.571 2.333 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2cc(OC)nc3ccccc23)CC1 1705653032 WWKXUVDZZDONAL-UHFFFAOYSA-N 462.554 2.386 30 10 JEEE C=CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1705942311 OLOWCOIWGIXMIY-QGZVFWFLSA-N 484.669 2.281 30 10 JEEE CC(C)NC(=O)CCn1c(Cc2cccnc2)nnc1N1CCN(c2ccccc2C#N)CC1 1706636012 CDHJWUSCOHAJJH-UHFFFAOYSA-N 458.570 2.377 30 10 JEEE Cc1nccn1CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1707787426 BLFRWWPULSUDOQ-UHFFFAOYSA-N 475.601 2.059 30 10 JEEE CN(C)CC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1711009661 DVWMZFBAVKDHKR-QFIPXVFZSA-N 478.645 2.401 30 10 JEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1722325325 JBOOLAQESOBPMF-FQEVSTJZSA-N 486.642 2.350 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1C[C@]1(O)CCSC1)[C@H]1CCS(=O)(=O)C1 1722359400 MEMWKNYXTVSHLI-SIKLNZKXSA-N 460.625 2.002 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1CC(C)(C)COC)[C@@H]1CCS(=O)(=O)C1 1722362457 NOKSCWFGZDPHOK-GOSISDBHSA-N 476.599 2.262 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@]1(O)CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1722365159 LACGJFHWOPCXGH-XZDHIHRUSA-N 456.612 2.355 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@H](C)c1ncc(C)s1)[C@H]1CCS(=O)(=O)C1 1722367069 UUFMSJLIDDLYPI-ZJBJCVSYSA-N 493.655 2.126 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2ccccc2Cl)CC1 1722441754 UELIXPDQNZPPBH-UHFFFAOYSA-N 468.989 2.376 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2CCC[C@@H]2OC)CC1 1722443076 BRMOCBZNADXVDP-CZSZKKDXSA-N 473.618 2.100 30 10 JEEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)CCc1ccccc1OC 1722477081 AVFJPEBUOZMOGH-AWEZNQCLSA-N 472.409 2.484 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCC(NC(C)=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1722498756 DMFMOUMZFOOYCH-PTLVVNQVSA-N 461.607 2.405 30 10 JEEE C=C(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 1722519726 QCTDZGLBVUHANJ-LJQANCHMSA-N 478.575 2.306 30 10 JEEE C=C1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCCNS(=O)(=O)CC)CC1 1722567605 DVGSUDCVBLETGK-GOSISDBHSA-N 498.650 2.072 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1722592086 UTMLPYXFHCQVOQ-LJQANCHMSA-N 452.559 2.500 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cnn(C)c1C 1722707810 ZJVISKMBQSAKOZ-LJQANCHMSA-N 470.599 2.472 30 10 JEEE C=CCOc1ccccc1Cn1c(COCC)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1722708176 LOHZKSJXFHRDEU-REWPJTCUSA-N 482.629 2.417 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCOc2ccccc2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1722730545 VURDAUCQUGXDST-QGZVFWFLSA-N 474.505 2.268 30 10 JEEE C#CCN(c1nnc(COc2ccccc2OC)n1CCc1nccs1)[C@@H]1CCS(=O)(=O)C1 1740627370 GWNSERNNQIISNX-QGZVFWFLSA-N 487.607 2.192 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2cccnc2)n1Cc1ccccc1CN1CCC(O)CC1 1740641604 DDVLOVCQWQPONP-UHFFFAOYSA-N 454.578 2.342 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1740751115 HMSPYPSVQYFKCP-XLIONFOSSA-N 496.678 2.038 30 10 JEEE C=CCn1c(CSc2ccccc2OC)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1740950178 UIGLBCWJFAEOQP-OAHLLOKOSA-N 454.560 2.297 30 10 JEEE C=CCNC(=O)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCC(C(N)=O)CC1 1740952813 OLAYPWJGUJOLRG-UHFFFAOYSA-N 465.583 2.381 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(c2ncccn2)CC1 1740955823 AMGFJMJGYDXWSC-UHFFFAOYSA-N 456.913 2.156 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1740990082 HZJKGUKTBQNPPC-KDURUIRLSA-N 488.614 2.244 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1740994739 SWWJEXAVJDCHSL-FQEVSTJZSA-N 474.627 2.438 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1Nc1cnn([C@@H]2CC2(F)F)c1 1740995017 XLFAPDKABMGWBL-MRXNPFEDSA-N 466.518 2.261 30 10 JEEE Cc1nc(CN2CCN(c3nnc(-c4ccc(C#N)cc4)n3CC(=O)NCC(F)F)CC2)cs1 1742609651 AJQFKVCZKLRXHD-UHFFFAOYSA-N 486.552 2.285 30 10 JEEE CC[C@H](C)NC(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1743895110 HCBVFTDPSFAMHK-ICSRJNTNSA-N 466.590 2.418 30 10 JEEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC1(C)CC1 1747706477 DYXDFVUDNBLOFA-LJQANCHMSA-N 458.588 2.309 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C/C=C\c1ccccc1)[C@H]1CCS(=O)(=O)C1 1748804066 COBMVJRFDLIMJZ-VYDMPURTSA-N 470.595 2.270 30 10 JEEE C#CCN(c1nnc(-c2ccc(OCC)c(OC)c2)n1CC(C)(C)OC)[C@H]1CCS(=O)(=O)C1 1748809170 KDCOHJYTORIRQE-SFHVURJKSA-N 476.599 2.404 30 10 JEEE C#CCN(c1nnc(CCOc2ccccc2)n1C[C@]1(C)CCCO1)[C@@H]1CCS(=O)(=O)C1 1748820499 CRGNEBVFGNRZAC-XXBNENTESA-N 458.584 2.095 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CCCN2CCCC[C@H]2C)CC1 1749016626 HXQDHVOUEMCDJY-OAQYLSRUSA-N 463.630 2.494 30 10 JEEE C#CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CC(=O)NC(C)(C)C 1749038667 WFHPMPYLWMFABA-KRWDZBQOSA-N 494.662 2.304 30 10 JEEE C=C(Br)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1749105382 FKULWUGMCCYCME-HNNXBMFYSA-N 454.756 2.382 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC(CCC(N)=O)CC2)nnc1[C@]1(OCC)CCOC1 1749139172 BWONEZMQTACNIQ-IZIIKQMZSA-N 461.607 2.393 30 10 JEEE C=C(C)COCCn1c(-c2cc(Br)cn2C)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1749212943 BOLKGNMMYJNSPK-INIZCTEOSA-N 478.395 2.195 30 10 JEEE C=C(Cl)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1749255611 DPEMQYBTMDDZEC-KRWDZBQOSA-N 481.022 2.300 30 10 JEEE C=CCCCCn1c(N2CCC([C@]3(C)NC(=O)NC3=O)CC2)nnc1[C@]1(OCC)CCOC1 1749408832 OCENMOUJOPQMSM-GOTSBHOMSA-N 460.579 2.101 30 10 JEEE C=CCCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1749430327 NDBHZWHLEYTCCK-UHFFFAOYSA-N 460.529 2.287 30 10 JEEE C=CCCCn1c(N2CCN(c3ccc(C(N)=O)cn3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1749439490 AEFMAMFKXCVWSJ-XMMPIXPASA-N 469.590 2.105 30 10 JEEE C=CCCOCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](NC(C)=O)C1 1749457297 IZKXQWMWPUYETK-PMACEKPBSA-N 492.621 2.284 30 10 JEEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCN(C)CC(F)(F)F 1749471106 JRLCKFAUUBCWAA-UHFFFAOYSA-N 460.526 2.312 30 10 JEEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(N(CC)C(=O)OC(C)(C)C)CC1 1749606197 PHQWSRLWTQORKK-HNNXBMFYSA-N 456.613 2.300 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1749669408 KEVKFTCAGOZQCD-RCCFBDPRSA-N 462.595 2.214 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)c2ccco2)CC1 1749681236 YYHMLZOWQHTNMF-UHFFFAOYSA-N 478.553 2.332 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@H](CC)C2)cc1 1749686072 PFUKAEOSWIACLY-RXVVDRJESA-N 475.615 2.460 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)N2CCCC2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1749687360 PQNMLYIWGSCXEH-FQEVSTJZSA-N 466.586 2.432 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1749730081 YZZAQJVKFRVCAF-KRWDZBQOSA-N 460.585 2.284 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1749736452 JHXHUPMCCUUOOL-UHFFFAOYSA-N 493.515 2.236 30 10 JEEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 1749740794 KDKKTZHHGIGQLS-UHFFFAOYSA-N 472.590 2.421 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@H](C)N1CCN(CC)CC1 1760102110 FJQZTIZJGMPVIB-MOPGFXCFSA-N 470.618 2.455 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1Cc1snnc1C)[C@@H]1CCS(=O)(=O)C1 1760180454 FSKQCJIBFRNJGX-DOTOQJQBSA-N 490.586 2.392 30 10 JEEE C#CCN(c1nnc(C2(c3ccccc3)CCC2)n1C[C@H](F)COC)[C@H]1CCS(=O)(=O)C1 1760180844 LZBSGWRAXZURGV-PMACEKPBSA-N 460.575 2.359 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@](C)(O)c1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 1760193352 XOAMTKKGZIHILY-PERKRYKHSA-N 479.002 2.317 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CN(Cc2ccccc2)CCCO1 1760193471 GKJZJSMDWTVUMP-HSZRJFAPSA-N 483.576 2.289 30 10 JEEE C#CCN(CC#C)c1nnc(CCOc2ccccc2)n1C[C@H](N1CCOCC1)C(F)(F)F 1760207035 VKUSMRRCQSHTHL-FQEVSTJZSA-N 461.488 2.236 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CCOC)[C@@H](CCC)C1 1760333389 DYFYZSVYNXCVAK-DYQZNNLLSA-N 460.623 2.148 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 1760374065 HRRVYIDPTSEULK-QXAKKESOSA-N 451.015 2.351 30 10 JEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](c2cccc(C)c2)N2CCOCC2)CC1 1760382107 IZSCCLXBRNGMRH-IFMALSPDSA-N 488.658 2.427 30 10 JEEE C=CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1760429496 DZOQKTVKNUMPOA-UHFFFAOYSA-N 471.650 2.281 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2Cc2c(C)nn(C)c2C)C1 1760538404 DDJVOZYERIDJMC-HXUWFJFHSA-N 499.641 2.375 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCN(c2cc(C)ccc2C)CC1 1760554326 ZVAKGWPIDJNQSV-UHFFFAOYSA-N 469.615 2.223 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](Cc2ccccc2)C1 1760555839 OVSKGSVZOOIOCS-RTWAWAEBSA-N 460.600 2.221 30 10 JEEE CC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)CC2CC2)CCO1 1765304631 GHIOKAIGMWMNRA-LJQANCHMSA-N 459.572 2.169 30 10 JEEE CCNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(OC)nc2)CC1 1767242618 CRWDGXJMVVRHDB-UHFFFAOYSA-N 476.541 2.032 30 10 JEEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1ccccc1F 1865723370 OAQGQCKMPFVPSC-KRWDZBQOSA-N 458.534 2.394 30 10 JEEE C=CCn1cc(OCC(=O)N(C)C[C@H]2CCCO2)c(=O)cc1CN1CCN(Cc2ccccc2)CC1 1870548020 RSZDFXGTSDMFNH-RUZDIDTESA-N 494.636 2.368 30 10 JEEE C=CCn1c(C(=O)Nc2ccc(Br)cc2)cc2c(N(CCO)CCO)ncnc21 1873647066 WAPQSDSBFNPETJ-UHFFFAOYSA-N 460.332 2.423 30 10 JEEE O=C(NCC#CCN1CCc2ccccc2C1)[C@@H]1SCC(=O)N(C2CC2)[C@@H]1c1cccnc1 1889492781 UXAKPAAHOOVHHL-JWQCQUIFSA-N 460.603 2.407 30 10 JEEE CN(C(=O)C1CCN(c2ccc(Br)cn2)CC1)C1CN(c2nccnc2C#N)C1 1890192677 ZKXKRTDIYQAWSZ-UHFFFAOYSA-N 456.348 2.069 30 10 JEEE C=CCCS(=O)(=O)Nc1c(I)nc(C)nc1I 2008824949 KREYPKUOTWLPJO-UHFFFAOYSA-N 479.081 2.312 30 10 JEEE C[C@@H](NC(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)C1(O)CN(C(=O)OC(C)(C)C)C1 2255535127 QNDJRYCXMMJYBK-CYBMUJFWSA-N 452.382 2.147 30 10 JEEE CC1(C)OB(c2nscc2C(=O)N[C@H]2CCOC[C@@H]2NC(=O)OCc2ccccc2)OC1(C)C 2255636603 WLNOMVKYVXZOMD-ROUUACIJSA-N 487.387 2.256 30 10 JEEE C[C@H]1OCCN(C(=O)OC(C)(C)C)[C@@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2256616396 BGEGZFGAQTYWBN-OCCSQVGLSA-N 453.370 2.405 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CC(F)(F)F)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2256619235 XARSYPGANBFGEQ-SECBINFHSA-N 466.291 2.043 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)Nc2n[nH]c(CCN(C)C(=O)OC(C)(C)C)n2)C1 2266485098 CFXGVTUXOTZNSZ-UHFFFAOYSA-N 462.551 2.459 30 10 JEEE CN(C[C@@H](O)CNC(=O)OC(C)(C)C)C(=O)c1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2266982652 BCFFYIDTTGVGGM-HNNXBMFYSA-N 452.332 2.083 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@](O)(CCNC(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)C1 2267192914 XUZHSWDXERURRR-QFIPXVFZSA-N 450.341 2.071 30 10 JEEE CN(CCOCCN(C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1)C(=O)OC(C)(C)C 2267277171 LWWPAHRKYWDPKS-UHFFFAOYSA-N 451.373 2.269 30 10 JEEE COC1(CCNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)CN(C(=O)OC(C)(C)C)C1 2267531752 UXUZJYCPOUZMHE-UHFFFAOYSA-N 467.397 2.198 30 10 JEEE CC(C)(C)OC(=O)N1CCCC[C@@H]2[C@@H](C(=O)N=c3nc(B4OC(C)(C)C(C)(C)O4)[nH]s3)[C@@H]21 2268720093 PRLJUAROXJDQMF-MGPQQGTHSA-N 464.397 2.233 30 10 JEEE Cn1cc(C(=O)N2CCN(Cc3ccccc3)CC(F)(F)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2281957611 ADIDAWQZKLBRKQ-UHFFFAOYSA-N 460.334 2.313 30 10 JEEE Cn1cc(C(=O)N2C[C@H]3C[C@@H](CN(Cc4ccccc4)C3)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2281977738 TWSVQGIGNKCZMQ-PMACEKPBSA-N 450.392 2.313 30 10 JEEE CC(C)(C)OC(=O)N1CC(c2nc(NC(=O)c3csnc3B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2282000061 JZEWWLSUFDVRGP-UHFFFAOYSA-N 476.368 2.147 30 10 JEEE COC[C@]1(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)CCCN(C(=O)OC(C)(C)C)C1 2282193272 JDMJOUIXEFLWAE-QHCPKHFHSA-N 463.384 2.460 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccoc1B1OC(C)(C)C(C)(C)O1)CCO2 2282209950 ZLKFVDFKFHQKHB-HSZRJFAPSA-N 462.352 2.431 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@@H]1CC(C)(C)[C@H]1OCc1ccccc1 2282340651 IMDMTBNAJKBFFP-MOPGFXCFSA-N 475.420 2.382 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1COC[C@H]1NC(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1F 2282400503 GSIAVTJXXKEEDK-RHSMWYFYSA-N 464.343 2.394 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](NC(=O)c2ccc(F)cc2B2OC(C)(C)C(C)(C)O2)C1 2282405872 CDCUKFFYHCMLCJ-MSOLQXFVSA-N 464.343 2.225 30 10 JEEE CCc1nc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2OC)c(B2OC(C)(C)C(C)(C)O2)s1 2282513818 VFVRBUUYBSUWNU-UONOGXRCSA-N 481.424 2.369 30 10 JEEE Cc1nc(C(=O)N2C[C@@H]3OCCN(Cc4ccccc4)[C@@H]3C2)c(B2OC(C)(C)C(C)(C)O2)s1 2282515622 UMVNAPIOVBQDJM-MOPGFXCFSA-N 469.416 2.476 30 10 JEEE Cn1cc(C(=O)N2CCC[C@]23CCN(C(=O)OC(C)(C)C)C3)nc1B1OC(C)(C)C(C)(C)O1 2282551451 JPJWNRWLFIASHL-HSZRJFAPSA-N 460.384 2.335 30 10 JEEE Cc1nn(C)c(C(=O)N2C[C@H](C)N(C(=O)OC(C)(C)C)C[C@@H]2C)c1B1OC(C)(C)C(C)(C)O1 2282559237 OALFXILEJIPXCS-GJZGRUSLSA-N 462.400 2.498 30 10 JEEE COc1cc(C(=O)N[C@H]2COC[C@@H]2NC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2282567795 SMRRBVYDBKDGKT-IRXDYDNUSA-N 462.352 2.016 30 10 JEEE Cn1ncc(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccco2)c1B1OC(C)(C)C(C)(C)O1 2282572544 MVMYJONJHZIXAZ-OAHLLOKOSA-N 460.340 2.308 30 10 JEEE Cn1cc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC3(CC3)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2282575956 KQRUZPFAYOQDKO-OAHLLOKOSA-N 460.384 2.239 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1C[C@@H]2[C@@H]1CCN2C(=O)OC(C)(C)C 2282593702 UNXQPVNNDYTISS-DJIMGWMZSA-N 460.384 2.330 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@]1(O)CCCN(C(=O)OC(C)(C)C)C1 2282597881 JKJCBIRKNKJIIP-JOCHJYFZSA-N 481.424 2.243 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2Cl)C1 2282608720 YLFFAGOAIXGPTF-HOTGVXAUSA-N 481.786 2.134 30 10 JEEE C[C@H]1C[C@@H](CNC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CN(C(=O)OC(C)(C)C)C1 2282624112 KPWJQJSIJXJDSG-HOTGVXAUSA-N 460.384 2.399 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1S(=O)(=O)N1C[C@@H]2[C@H](C1)[C@@H]2NC(=O)OC(C)(C)C 2282834086 OZAIKAHIPCWPGK-IZZQQSIFSA-N 478.420 2.438 30 10 JEEE COC(=O)[C@@H](CC(=O)NCc1sc(B2OC(C)(C)C(C)(C)O2)cc1C)NC(=O)OC(C)(C)C 2283926292 LPYIJMHXKZVBPM-CQSZACIVSA-N 482.408 2.428 30 10 JEEE C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2cc(B3OC(C)(C)C(C)(C)O3)ccc2C1 2283981060 IAVKYORWGWGCCR-KXBFYZLASA-N 460.380 2.145 30 10 JEEE COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1NC(=O)C1(O)CC(NC(=O)OC(C)(C)C)C1 2284051248 LKLPUOLSESOQFG-UHFFFAOYSA-N 462.352 2.351 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2285186937 WUQYFJFSOUVGFZ-FUHWJXTLSA-N 464.343 2.281 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@H]1C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2285186938 WUQYFJFSOUVGFZ-SJLPKXTDSA-N 464.343 2.281 30 10 JEEE CN(C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CN(C(=O)OC(C)(C)C)CC12CC2 2287017234 QWHCMKBGIIVOFK-OAHLLOKOSA-N 458.368 2.247 30 10 JEEE CC1(C)C[C@H]1[C@@](N)(C#N)Cn1cnc(I)c1I 2302248391 ATUITWBXPBTAEM-RDDDGLTNSA-N 456.069 2.359 30 10 JEEE COc1ccc(CCc2nnc(SCC(N)=O)n2N=Cc2ccccc2[N+](=O)[O-])cc1OC 2326183299 RHSUBHPTJXRJBX-UHFFFAOYSA-N 470.511 2.448 30 10 JEEE CCOc1ccc(C=CC(=O)[C@H]2C[C@@H](NC(=O)CNC(=O)c3ccccc3)CCN2)cc1OC 2328106789 RQQHTUVSYXONPH-LEWJYISDSA-N 465.550 2.343 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CS(C)(=O)=O)C(=O)N1CC[C@@H]2C[C@@]2(B2OC(C)(C)C(C)(C)O2)C1 2335399046 FPGGEHZMKCDZAP-VTJXTGGHSA-N 472.413 2.009 30 10 JEEE COc1nc(N2CCC(O)(CNC(=O)OC(C)(C)C)CC2)ccc1B1OC(C)(C)C(C)(C)O1 2365344736 RNRLMRDMCQBOHV-UHFFFAOYSA-N 463.384 2.245 30 10 JEEE COc1nc(O[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2N(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2365372296 BPDCSPXRSQDIGQ-SJORKVTESA-N 463.384 2.318 30 10 JEEE COc1nc(O[C@@H]2CN(C(=O)OC(C)(C)C)[C@H]3COC[C@@H]23)ccc1B1OC(C)(C)C(C)(C)O1 2365379968 MYVWKVMPEIFBKL-HYVNUMGLSA-N 462.352 2.403 30 10 JEEE Cc1cc(C)nc(N/C(=N/C(=S)NCCCN2CCOCC2)N2CCN(c3ccccc3)CC2)n1 14160764 CXTFCFKLMOFGDB-UHFFFAOYSA-N 496.685 2.280 30 10 JEEE CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](Oc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 208073257 WUBVHEXSRLHCFD-ROUUACIJSA-N 490.410 2.305 30 10 JEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCc2cccc(CS(C)(=O)=O)c2)cc1 502358744 FXDWHMZIBZOKJT-UHFFFAOYSA-N 451.570 2.359 30 10 JEEE Cc1cc(C)c(C#N)c(SC2=C(N3CCN(CCO)CC3)C(=O)N(c3ccc(F)c(F)c3)C2=O)n1 526697160 WKOMDFVWNYPSLE-UHFFFAOYSA-N 499.543 2.335 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(Cc4nc(-c5ccccc5)no4)CC3)cc2C1=O 613557805 BFRXAOLPDSWVQZ-UHFFFAOYSA-N 457.490 2.477 30 10 JEEE C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@@H]1CSCN1C(=O)C(C)(C)Oc1ccc(Cl)cc1 730604690 DYDABTXJCALFPR-BBRMVZONSA-N 483.974 2.342 30 10 JEEE CON=Cc1ccc(C(=O)O[C@H](C)C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2OC)cc1 853733523 AEXOKNCJFAGNLH-CQSZACIVSA-N 463.512 2.110 30 10 JEEE C#CC1(O)CCN(C(=O)c2cccc(S(=O)(=O)Nc3cc([N+](=O)[O-])ccc3OC)c2)CC1 1148406530 SVRXYFPMGKMMAF-UHFFFAOYSA-N 459.480 2.005 30 10 JEEE N#Cc1ccc(N2CCC[C@@H](NS(=O)(=O)[C@H]3CCCN(C(=O)C4CCCC4)C3)C2=O)cc1 1189125177 ACBDCHCTCJDUJW-LEWJYISDSA-N 458.584 2.154 30 10 JEEE C#CCCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1286349446 WWUPCJMJTNRXER-KRWDZBQOSA-N 454.556 2.484 30 10 JEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 1286350314 ZGOAUXPCAJVUMN-WMZOPIPTSA-N 464.613 2.195 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@H](C)c1nc(C)cs1)[C@H]1CCS(=O)(=O)C1 1286382629 SRPVETQYLDMGMS-RDJZCZTQSA-N 499.622 2.121 30 10 JEEE C#CCN(c1nnc(-c2ccc(OCCC(C)C)cc2)n1Cc1ncn(C)n1)[C@@H]1CCS(=O)(=O)C1 1286389003 XHICLKQFYSCJCH-HXUWFJFHSA-N 497.625 2.174 30 10 JEEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1CCn1cc(C)cn1)[C@H]1CCS(=O)(=O)C1 1286396568 QRDWLCPIUBSYNJ-NRFANRHFSA-N 482.610 2.306 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(OCC(F)(F)F)c1 1286419925 ICVRIUKZWFRPTO-MRXNPFEDSA-N 483.516 2.341 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@@](C)(O)c2ccccc2Cl)CC1 1286491786 BLKGLYTUBBDECC-HSZRJFAPSA-N 459.978 2.342 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCCCN2CCCC[C@@H]2C)CC1 1286491957 BUQLTXRLSFSZHQ-UNMCSNQZSA-N 456.635 2.402 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CC(O)(CC)CC)CC1 1286495040 XGQCTSNTCZASQD-OAQYLSRUSA-N 467.570 2.308 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C(=O)COC)CC1 1286551061 GKOCOHQTSTWZHC-FDDCHVKYSA-N 485.585 2.239 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1286608406 PQAXZDGXBVWTNZ-SFHVURJKSA-N 490.586 2.008 30 10 JEEE C=CC[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1)c1ccccc1 1286678886 GLRYGGJOINJSNC-CTNGQTDRSA-N 486.642 2.449 30 10 JEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1CCN(Cc2ccccc2)C1 1286699650 GKLNHSRZOLFFJM-VXKWHMMOSA-N 488.658 2.288 30 10 JEEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCC1CCN(CC(F)(F)F)CC1 1286714211 LXBQCTVOEDAVDC-CQSZACIVSA-N 452.547 2.175 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N(CCO)Cc1ccc(Br)s1 1286787521 GUQJLPSJZIHKCE-CQSZACIVSA-N 484.420 2.297 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1286792504 ZTAKDMVSTBMURN-OAQYLSRUSA-N 465.558 2.088 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCSCC(F)(F)F)C1 1286808726 DVHNQGNLLDDFLR-KBPBESRZSA-N 454.540 2.257 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCCN(C3CCCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1286824529 DMOOJHRBUBOYGO-XMMPIXPASA-N 495.690 2.374 30 10 JEEE CC(=O)N1CCC[C@H](Cn2c(C3CCN(c4ncccn4)CC3)nnc2N(C)[C@@H](C)CC#N)C1 1286859639 HUZNCZFRPLUSTN-ICSRJNTNSA-N 465.606 2.449 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2CC[C@H]2COCCO2)c1 1300335072 ZUIGWBWSTSJKPT-CTNGQTDRSA-N 453.543 2.034 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCC[C@@H]1OC 1300539110 YHPRAEWMLKNEHO-UFYCRDLUSA-N 457.575 2.474 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)c1nc(-c2ccccc2)no1 1300557227 RDCVHTKZIFHWJR-QZTJIDSGSA-N 481.582 2.205 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H]2CCO[C@@H](C)C2)CC1 1300700060 LGSOKRBKLIIMGE-ACRUOGEOSA-N 488.633 2.157 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@]2(N(C)C)CCSC2)CC1 1300708368 RDWXWKJVIARVLQ-DEOSSOPVSA-N 454.644 2.358 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CCCN2CCCO[C@@H](C)C2)CC1 1300726436 KZEHGDIBVOOHTC-NRFANRHFSA-N 496.631 2.475 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CC[C@](C)(O)c2ccccc2)CC1 1300726523 PFDASPJMSGNWEK-RLWLMLJZSA-N 465.598 2.436 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)N1CCc2ccccc21 1300780888 YSYKCGHKNVRAGH-YZZKKUAISA-N 456.616 2.332 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@@H](NC(=O)CC)C1 1301514306 IXMYURRITNRWEM-LJQANCHMSA-N 454.575 2.271 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1301515766 YZKQCXHCGGUUNM-KRWDZBQOSA-N 454.575 2.124 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1CCSC1 1301531760 WQUUWPXSYYNXMN-QUCCMNQESA-N 493.655 2.166 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2c[nH]c3ccccc23)nnc1N(C)Cc1cnn(C)c1 1301585412 ANZGUQLHBLORDE-UHFFFAOYSA-N 453.572 2.321 30 10 JEEE CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)CCCO2)CC1 1305643461 HMJLTACZEZKGAJ-KBMIEXCESA-N 465.602 2.423 30 10 JEEE CS(=O)(=O)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 1316344866 FNYMLBMSECVYHB-UXHICEINSA-N 459.572 2.311 30 10 JEEE Cc1cc(NC(=O)COc2cccc(Br)c2C#N)n([C@H]2CCS(=O)(=O)C2)n1 1354009975 BHURDZDKLTWDCT-LBPRGKRZSA-N 453.318 2.203 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCCN1CCOCC1 1358886059 XADFBNNUSZKEPW-LJQANCHMSA-N 463.586 2.245 30 10 JEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1358930649 ZOSNZZCUNIZYCM-IAGOWNOFSA-N 451.593 2.039 30 10 JEEE C#CCN(c1nnc(-c2cccc(Br)c2)n1CCCCCO)[C@@H]1CCS(=O)(=O)C1 1358956122 ATCORGRPXQPWOI-GOSISDBHSA-N 481.416 2.497 30 10 JEEE C#CCN(c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCN(C)CCOC)[C@@H]1CCS(=O)(=O)C1 1358958154 IQUMALYTMBCBGZ-JOCHJYFZSA-N 487.670 2.448 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1ccc(N(CC)CC)nc1)[C@H]1CCS(=O)(=O)C1 1358960434 DWNALLINYWXAJN-IBGZPJMESA-N 467.599 2.189 30 10 JEEE C#CCN(c1nnc(CSc2ccccc2OC)n1C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 1358967688 QBAYXISUQIRWCK-ZWKOTPCHSA-N 476.624 2.385 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2CC(=O)N(C)C2CCCCC2)CC1 1359033502 DXSTWBGVPPOVIJ-UHFFFAOYSA-N 450.587 2.500 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCN2CCOC[C@@H]2C)CC1 1359041350 UCYZYAQBDQEWID-VQTJNVASSA-N 498.603 2.244 30 10 JEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](Oc2ccccc2)C1 1359049856 XGJOBWVDTAIKHA-HKUYNNGSSA-N 463.629 2.303 30 10 JEEE C#CCSCCn1c(COc2ccc(F)cc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1359060787 HMEGHLFVEHFVFE-UHFFFAOYSA-N 454.531 2.019 30 10 JEEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1359089599 LMCWTMMEQCFRQV-ZTFGCOKTSA-N 467.412 2.027 30 10 JEEE C=CCCCCn1c(-c2cccn2C)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1359200491 IAYSDZOQBIIXPX-UHFFFAOYSA-N 472.619 2.193 30 10 JEEE C=CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1359209283 HXRZEFAQTGYGQU-HNNXBMFYSA-N 462.352 2.475 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1359334886 TYWHNIWVFYJCHJ-IBGZPJMESA-N 492.671 2.113 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2c[nH]c3ccccc23)n1CCS(=O)(=O)N1CCSCC1 1507533391 MILBKJKWFGRLHH-INIZCTEOSA-N 458.613 2.263 30 10 JEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1507577538 QWEXRTYGVBQOKV-HXUWFJFHSA-N 486.642 2.494 30 10 JEEE C#CCN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1C[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1507623466 SPUFJRGESIMIJS-IEZWGBDMSA-N 476.002 2.144 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CC(C)(C)SC)[C@H]1CCS(=O)(=O)C1 1507624803 DNZXMHABEOTRGG-UWJYYQICSA-N 470.661 2.087 30 10 JEEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1C[C@H]1CCSC1)[C@H]1CCS(=O)(=O)C1 1507637832 BXAJMCJSGRTTTI-MSOLQXFVSA-N 476.624 2.246 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cc(Cl)ccc2OC(F)F)CC1 1507716333 QDAOTWWLCCMKOW-UHFFFAOYSA-N 466.920 2.475 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2CCc2ccn(C)n2)CC1 1507740976 RLFMOVNZYWYOBR-UHFFFAOYSA-N 461.570 2.108 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CCn2cc([C@@H]3CCOC3)cn2)CC1 1507742840 SCEXTESCQYZGJL-HXUWFJFHSA-N 467.618 2.233 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(C(N)=O)nc1 1507773662 VARFAAYPGZYUIM-KBMIEXCESA-N 495.584 2.121 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1507800508 VYVCPKPTPAXIKR-HBFSDRIKSA-N 467.636 2.014 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2cc(Br)cn2C)n1CCN1CCCS1(=O)=O 1507819353 PUYZYGQAUNZDHK-UHFFFAOYSA-N 471.425 2.484 30 10 JEEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 1507936524 FQKUVELLJKWQTJ-UHFFFAOYSA-N 469.565 2.380 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1508073327 JVBAXQDEOFEEQI-BVZFJXPGSA-N 485.585 2.427 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2C[C@@H](C)[C@@H](N3CCOCC3)C2)cc1 1508096044 AQUUPWUSGHJYIP-KNQAVFIVSA-N 468.602 2.186 30 10 JEEE CN(C)C(=O)c1cccc(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@](C)(C#N)C2)c1 1516948605 GQUBQQOROBTGAY-HYBUGGRVSA-N 484.626 2.255 30 10 JEEE CN(C)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1)c1cccc(F)c1 1517020459 FOXHHLIVOIAXNN-CDXJDZJCSA-N 464.542 2.064 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1538992534 SZBMLBKXEVVSSQ-HUUCEWRRSA-N 496.431 2.456 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccc(C)cc1)N1CCOCC1 1539016831 VSQSEMBOVZQZBV-ILWGZMRPSA-N 471.627 2.020 30 10 JEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](c2ccccc2OC)C1 1539072903 YPBZCGMFNRZUPO-KNQAVFIVSA-N 487.626 2.417 30 10 JEEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CC1(COC)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1539206400 ONUWTWPXSNHDSW-HYBUGGRVSA-N 494.658 2.154 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@H](C)CN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1539229635 FSCKGVCSROPHOO-WOJBJXKFSA-N 489.617 2.355 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC1(S(C)(=O)=O)CC1 1539315854 WWGQWVNNYKEFDJ-UHFFFAOYSA-N 492.605 2.276 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2CCCNC(=O)c2occc2C)CC1 1539470110 YDOKKZCOSOAJOQ-KRWDZBQOSA-N 454.575 2.479 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@]2(C)COCCO2)CC1 1539470524 SSMCLJWERXHSJI-HSZRJFAPSA-N 457.962 2.370 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@H](C(CC)CC)N2CCOCC2)CC1 1539475638 KQRYBMPIFPSIAS-XMMPIXPASA-N 493.656 2.443 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](NC(C)=O)C1 1539618881 BOKBCWRQWXKWSM-VWPQPMDRSA-N 487.626 2.435 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1539627772 LPJQYVOVHABINV-INMHGKMJSA-N 465.480 2.221 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1c(C)nn(C)c1C 1540863834 GWZGGXPFQFGTRO-UHFFFAOYSA-N 461.368 2.325 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CCN2CCOCC2(C)C)C1 1540894594 AXYINPBZMPKTIL-GOSISDBHSA-N 474.631 2.162 30 10 JEEE CO[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1)c1ccc(F)cc1 1554656521 FSXFZDHTAOHSOK-VPWXQRGCSA-N 451.499 2.149 30 10 JEEE COCCN(C)CCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CC[C@@](F)(C#N)C1 1555526642 AKFGRWMUSQXZTO-XMMPIXPASA-N 482.564 2.256 30 10 JEEE C#CCCCn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 1587870318 ZHBQXNYOPACAQF-UHFFFAOYSA-N 463.630 2.494 30 10 JEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1nccc(C(F)F)n1 1587989589 KSJSAXXAVUPOTJ-OAHLLOKOSA-N 463.489 2.432 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1cc(Br)cs1)[C@@H]1CCS(=O)(=O)C1 1588054916 PXZJGOLVDMGPLE-DZGCQCFKSA-N 485.429 2.281 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CCCOc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1588065094 UCWLMPXKZJDWAJ-OAQYLSRUSA-N 465.579 2.360 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CCN(CC)C1)[C@H]1CCS(=O)(=O)C1 1588074531 NXRQLXFBGIHLOZ-UWHLTILDSA-N 477.675 2.165 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cn(C)c4ccccc34)n2C[C@@H](COC)OC)CC1 1588913186 BKSZZOSIWPWRNY-IBGZPJMESA-N 464.570 2.064 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)cc(OC)c2)n1CCC(=O)N1CCOCC1 1589171366 CEUIRELDSKYOTE-XMMPIXPASA-N 453.543 2.203 30 10 JEEE C=C(C)COCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](CC(N)=O)C1 1593747396 VQLZADQKEPMPAD-RTBURBONSA-N 492.621 2.271 30 10 JEEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)c1ccccc1 1593747512 XUWXRIMSZISQCY-UYAOXDASSA-N 463.604 2.401 30 10 JEEE C=C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCCNS(=O)(=O)CC)CC1 1594010194 ZQWTWGJFCWRQHG-UHFFFAOYSA-N 481.022 2.347 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(C)cc1N1CCOCC1 1595296393 DSCMHEQHSYHVAE-FQEVSTJZSA-N 454.575 2.061 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN(Cc2csc(C)n2)CC1 1595562278 SGYBOGUKOIWAIM-UHFFFAOYSA-N 457.629 2.320 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1595765492 BHTAWCFFNCERRU-RDJZCZTQSA-N 497.463 2.320 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCCN(CCC)C(=O)C1 1595805533 QCYYKYWRCRNQKW-UHFFFAOYSA-N 481.569 2.197 30 10 JEEE CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)CCO1 1596640655 AYBJAHJZEHLZBI-DYESRHJHSA-N 497.600 2.413 30 10 JEEE COc1ccc(CCN2C[C@H](C(=O)N3CCc4c(sc(N)c4C#N)C3)CC2=O)cc1OC 1603038843 HQGCJYMDKIIZMH-OAHLLOKOSA-N 454.552 2.195 30 10 JEEE CCOC(=O)Nc1ccc(NC(=O)N2CCC(C(=O)OCC)([S@](C)=O)CC2)cc1C#N 1668187952 CGPOVBJZMJBKNK-HKBQPEDESA-N 450.517 2.435 30 10 JEEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1ccc(C(=O)NCC)cc1)[C@@H]1CCS(=O)(=O)C1 1689979758 GULKCNXVMJOIKH-FXAWDEMLSA-N 457.600 2.216 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccccc1CN(CC)CC)[C@H]1CCS(=O)(=O)C1 1689991315 ZQTAWZGEVHUNLS-GOTSBHOMSA-N 485.654 2.299 30 10 JEEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccccc1CN1CCOCC1 1690060616 CKJORGIIZTUGSN-RUZDIDTESA-N 453.587 2.270 30 10 JEEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CC(C)(C)c2ccc(OC)cc2)CC1 1690130137 ANVLLZWNBRTSBR-UHFFFAOYSA-N 450.587 2.142 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2C[C@@H]2CN(CC(C)C)CCO2)CC1 1690133904 YHXBFFAPNLBVCC-NRFANRHFSA-N 470.593 2.108 30 10 JEEE C#CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1690177140 KYSRGTQBQSBFLE-GOSISDBHSA-N 465.620 2.140 30 10 JEEE C=C(Cl)Cn1c(C2CCC2)nnc1N1C[C@@H]2[C@H](C1)[C@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1690342156 BXSWUYMCTKCYMV-BZUAXINKSA-N 472.011 2.425 30 10 JEEE C=CCCCn1c(-c2noc3c2COCC3)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1690482120 ZRUWNQWHEKMLBU-CYBMUJFWSA-N 454.453 2.477 30 10 JEEE C=CCCOCCn1c(N2C[C@H](C)O[C@]3(CCCOC3)C2)nnc1[C@@]1(OCC)CCOC1 1690511249 VAMRZEIZRHNXGB-WWPVKYPJSA-N 450.580 2.297 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)C[C@@H]1CCCOC1 1690724790 WNOISCXVVJDEBX-PXNSSMCTSA-N 462.572 2.254 30 10 JEEE CCO[C@H](CCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C#N)cn2)CC1)C(C)C 1696004691 AUIJCJGZTYXLQJ-HXUWFJFHSA-N 468.606 2.461 30 10 JEEE COC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](c3cccc(C#N)c3)C2)CCCC1 1697224653 HKCKYFJABFWQCL-PXNSSMCTSA-N 488.614 2.297 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1CCN(CCN(C)C)CC1 1705486452 FKHYYJWLPMFGIP-IBGZPJMESA-N 452.603 2.448 30 10 JEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1705527273 YKBRDSDWONTFAW-XLNZFTOWSA-N 487.626 2.382 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1CCc1nc(C(F)(F)F)cs1)[C@@H]1CCS(=O)(=O)C1 1705564583 CPGWETUBYOAPDE-UONOGXRCSA-N 489.545 2.127 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1705606795 FYESIXFMGJHOBQ-IBGZPJMESA-N 499.559 2.461 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccnc(OC2CCCCC2)c1 1705627731 OJDGKAJGTQSOOD-HXUWFJFHSA-N 452.559 2.470 30 10 JEEE C#CCN1CCN(c2nnc([C@H](CC)c3ccccc3)n2CC2CCS(=O)(=O)CC2)CC1 1705635229 UMIKPQUIAHBPJJ-JOCHJYFZSA-N 455.628 2.400 30 10 JEEE C#CCN1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCSC(F)(F)F)CC1 1705639840 XNPLASSOLHGCSM-UHFFFAOYSA-N 480.564 2.460 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2Cc2ccc(N3CCO[C@H](C)C3)nc2)CC1 1705643999 FHGCQMXAAHXUDL-VQTJNVASSA-N 479.629 2.426 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCCCN2CCCC[C@H]2C)CC1 1705648044 PPCUUXASOIXSHZ-HXUWFJFHSA-N 464.618 2.356 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCNc2nccc(C(F)(F)F)n2)CC1 1705648832 AFSBNRILSXLRPN-UHFFFAOYSA-N 487.490 2.160 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2CCC2(O)CCC2)CC1 1705651223 OCEOYNHUJJXLLC-UHFFFAOYSA-N 451.571 2.436 30 10 JEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)NCc2ccc(F)cc2)CC1 1705664150 KUNNOQIRFGIHDN-UHFFFAOYSA-N 498.628 2.439 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1705693507 HKBJGTDGDJZXAV-RTBURBONSA-N 479.647 2.335 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1705700630 WOEVGQUMNBZTRV-ACRUOGEOSA-N 493.674 2.245 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCC(c2nc(C)no2)CC1 1705906848 QPVLRTZNAJLULT-UHFFFAOYSA-N 467.530 2.243 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCCN(S(=O)(=O)c3ccccc3)CC2)nnc1C(C)(C)C 1705938957 NWXTZDYKEQLUGS-UHFFFAOYSA-N 495.671 2.077 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1Cc1cnn(CC)c1)[C@H]1CCS(=O)(=O)C1 1722360760 VVAJAFCVRPBDRQ-IBGZPJMESA-N 458.975 2.490 30 10 JEEE C#CCN(c1nnc(C2CCC2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1722367626 NBAOTFZLDHGAOZ-SJLPKXTDSA-N 465.620 2.428 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1c(C)nn(C)c1C 1722420809 JFUZDQOYWKRZJR-LJQANCHMSA-N 470.574 2.358 30 10 JEEE C=C(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1722518567 WHLIDTMSBZPTBK-UHFFFAOYSA-N 459.639 2.344 30 10 JEEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1722530695 BCRKNHAQEOSEBW-OFNKIYASSA-N 469.634 2.255 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](Oc2ncccc2F)C1 1722536324 DGQDIRRBDUXDSJ-QZTJIDSGSA-N 479.578 2.355 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1oc(CCC)nc1C)C1CC1 1722650786 KYFTXMGKBXLIFG-SFHVURJKSA-N 464.592 2.063 30 10 JEEE C=CCN(CCc1ccco1)c1nnc(Cc2ccccc2F)n1C[C@@]1(O)CCS(=O)(=O)C1 1722673831 FUJUBLFFIOIWDS-QHCPKHFHSA-N 474.558 2.386 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCC=C(Br)C2)nnc1[C@]1(OC(C)C)CCOC1 1722731241 HTIHCRNOOYSFJR-IBGZPJMESA-N 489.436 2.408 30 10 JEEE CCc1nc(C)c(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)Cc2cccc(C#N)c2)o1 1727451101 IFLQGTRWFIDSOL-FQEVSTJZSA-N 499.597 2.026 30 10 JEEE CN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccnc(OC2CCOCC2)c1 1729556463 GDNBXHACIZKPJE-UHFFFAOYSA-N 496.593 2.299 30 10 JEEE COc1cccc(C(C)(C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)c1 1730209118 DFRVLYZDQNFDIB-QVKFZJNVSA-N 464.567 2.317 30 10 JEEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@H](NC(=O)OCC)C1 1740588614 CITULYPYDYPRPB-KRWDZBQOSA-N 463.542 2.320 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CCOc2ccccc21)[C@@H]1CCS(=O)(=O)C1 1740615449 FCAPOSMVGRHQES-AZUAARDMSA-N 499.637 2.390 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1C[C@@H](c1c(F)cccc1F)N(C)C)[C@@H]1CCS(=O)(=O)C1 1740623749 AFNULSNMFIGAOM-XLIONFOSSA-N 477.581 2.438 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccc(CSC)cc1)[C@H]1CCS(=O)(=O)C1 1740626576 LXDCEAAMXOFAPI-PMACEKPBSA-N 460.625 2.320 30 10 JEEE C#CCN(c1nnc(COc2ccccc2OC)n1C[C@H](C)SC)[C@H]1CCS(=O)(=O)C1 1740627565 IOZHDTBUYPNDNL-IRXDYDNUSA-N 464.613 2.244 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H]1CCN(CCC)C1 1740637717 BSGJGBGXFYOLMW-FQEVSTJZSA-N 457.582 2.480 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccc(F)cc2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1740643524 JTOWODOXIUQSFM-UGKGYDQZSA-N 485.585 2.273 30 10 JEEE C#CCN1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2C[C@H](OC)[C@H](C)CC)CC1 1740696211 OIEIURNHGLCCJX-IRLDBZIGSA-N 466.634 2.268 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCN(C)[C@H](C)CC)CC1 1740704660 VXFUAOWFWAVODX-GOSISDBHSA-N 466.586 2.370 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CCSC(F)(F)F)CC1 1740707260 VXRSJDSEACVFAQ-UHFFFAOYSA-N 452.506 2.483 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccnc(C)n2)CC1 1740851005 OIAGDFCZMRXAGB-GOSISDBHSA-N 459.620 2.208 30 10 JEEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1740880796 NLQNRRLDMNBZPQ-UHFFFAOYSA-N 473.541 2.111 30 10 JEEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cc2c(cc1OC(F)F)OCO2 1740947239 VOPQPDXURRVZSU-GFCCVEGCSA-N 456.471 2.333 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CC1CCC1 1740990090 IGCFSBPNWAVMFG-UHFFFAOYSA-N 456.572 2.029 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCC(F)F 1740991705 CEKFHDWPCHGCHA-HNNXBMFYSA-N 493.577 2.279 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CC[C@@H](N2CCCCC2)C1 1740992968 QALYTNUUIVOZDO-LJQANCHMSA-N 464.661 2.299 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C(C)(F)F)c1 1748672079 QCIOHHWERZJVBU-YJBOKZPZSA-N 467.542 2.229 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1oc2ccc(F)cc2c1C 1748672883 YFCYCWCWDJIMJF-VBKZILBWSA-N 475.546 2.311 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCS(=O)(=O)C1 1748687371 IXESQVRWBXQNKM-IKGGRYGDSA-N 451.593 2.243 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1CCc1ccc(OC)cc1OC)[C@@H]1CCS(=O)(=O)C1 1748812657 YRHRNIMDGBLHTH-LJQANCHMSA-N 483.594 2.170 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1ccnc(-n2cccn2)c1)[C@H]1CCS(=O)(=O)C1 1748818387 ZHBXEZYMRWDNNL-IBGZPJMESA-N 467.599 2.122 30 10 JEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1CC1([S@](C)=O)CCC1)[C@@H]1CCS(=O)(=O)C1 1748819105 KRNMEYYIRMGACN-KKIUXKEOSA-N 495.070 2.450 30 10 JEEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1CC(C)(C)SC)[C@@H]1CCS(=O)(=O)C1 1748821433 QLEGCLWUEROHSU-OAHLLOKOSA-N 481.669 2.038 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1749118685 IJWUVVKBTXHACQ-BOLBYERCSA-N 493.634 2.020 30 10 JEEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@]2(CN(Cc3ccccc3)CCO2)C1 1749170282 JGXKKRGMXYXHLH-HYBUGGRVSA-N 488.658 2.336 30 10 JEEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1749609532 SOGVAKOUTJMSBL-QGZVFWFLSA-N 455.588 2.184 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1749660859 UVUDJRMJYJLIMD-OAQYLSRUSA-N 481.557 2.059 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1749663956 BZMDJNOSYQSHSG-OAHLLOKOSA-N 450.465 2.061 30 10 JEEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](OC(C)(C)C)C1 1749677876 NIVOUQRHGMIBTR-INIZCTEOSA-N 460.604 2.356 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1C[C@H](c1cccc(F)c1)N(C)C 1751198325 HQJQTQZHXHBPGA-RLFYNMQTSA-N 451.572 2.069 30 10 JEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@]1(C)CCO[C@@H]1C1CC1 1760172957 DXAQOIAJRRISHR-OFNKIYASSA-N 457.600 2.470 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@@]1(O)CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1760191009 ZDTAOHNURYOABB-GCJKJVERSA-N 477.656 2.202 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2CCCN2C[C@@H](C)O[C@H](C)C2)CC1 1760264482 PVVYAVLMVSMTOZ-NHCUHLMSSA-N 470.593 2.251 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2CC2([S@](C)=O)CCC2)CC1 1760268191 NIKCPQMFXKRHSM-XIFFEERXSA-N 469.611 2.221 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCCOc2ccc(OC)cc2)CC1 1760268653 NWEAGBWZQJSMEY-UHFFFAOYSA-N 475.553 2.179 30 10 JEEE C#CCSCCn1c(COc2cccc(C)c2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1760284766 RKUMYFSUQWWURL-SFHVURJKSA-N 480.598 2.064 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)cc(C)c2)n1CCC[C@@H]1NC(=O)NC1=O 1760298427 HPEACKJPZVAVJP-YADARESESA-N 450.543 2.454 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC(N2CCCC2=O)CC1 1760519874 SIEHWDKCWOHKEN-UHFFFAOYSA-N 482.585 2.246 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)C[C@@H]1CCOC1 1760548434 GRYUMBCMUNITGB-SFHVURJKSA-N 461.588 2.221 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1760551667 OCIVFCZWMYQCHS-IBGZPJMESA-N 460.991 2.376 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN(c2cc(F)cc(F)c2)CC1 1760552125 CRNBVNGGCWGGCQ-UHFFFAOYSA-N 476.553 2.489 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2c[nH]c3ccccc23)nnc1N1C[C@@H](COC)O[C@H](C)C1 1760556828 REKUEPFKWAQFMZ-MJGOQNOKSA-N 473.599 2.191 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCN(Cc2cccc(F)c2)CC1 1760556992 WOHNJNJXPIPQAO-UHFFFAOYSA-N 484.601 2.326 30 10 JEEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCC(F)(F)F)nc1 1761362501 COKCKSBZWCWKOW-UKRRQHHQSA-N 472.493 2.303 30 10 JEEE C[C@@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@](C)(O)c1cccs1 1762697942 CVXQRLFBKRSWOS-MWTRTKDXSA-N 466.567 2.365 30 10 JEEE CCN(c1nnc(-c2ccc(C#N)cc2)n1CC1(C(=O)N(C)C)CCCC1)[C@H]1CCS(=O)(=O)C1 1766440239 FNJHVNAEUWZAQS-FQEVSTJZSA-N 484.626 2.479 30 10 JEEE COCCN(C)CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1771075997 BVRSJJOLJCTGNT-HSZRJFAPSA-N 498.653 2.314 30 10 JEEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCC(CC#N)CC3)n2C[C@H]2CCC(F)(F)C2)C1 1771360321 BNRZRYGDRJZFOR-DLBZAZTESA-N 472.562 2.176 30 10 JEEE N#Cc1nnn(-c2ccc3c[nH]nc3c2)c1NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccccn1)C2=O 1870142044 XVXKKQFRICAJHD-UHFFFAOYSA-N 489.455 2.459 30 10 JEEE CC(=O)Nc1ccc(-c2nc(C3=C(N)N(CCN4C(=O)CSC4=O)CC3=O)sc2C)cc1 1872796263 SDEOGRGHKMFMCK-UHFFFAOYSA-N 471.564 2.284 30 10 JEEE Cc1ccc(-n2nccn2)c(C(=O)N2CCC(OCC#CCN3CCN(C(C)C)CC3)CC2)c1 1889607309 NJTYXJDEDNWJMN-UHFFFAOYSA-N 464.614 2.226 30 10 JEEE CCCn1c(C(=O)N2CCC[C@H](Oc3nccnc3C#N)C2)cc2c(=O)n3ccccc3nc21 1892010393 UGFAUFOHSKLPOU-INIZCTEOSA-N 457.494 2.404 30 10 JEEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(CO)(CNC(=O)OC(C)(C)C)CC1 2082783503 ZHIQEHUPVPOOCZ-KRWDZBQOSA-N 453.580 2.419 30 10 JEEE CO[C@@H]1[C@H](OC)CN(C(=O)OC(C)(C)C)[C@H]1C(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1 2205486424 HXBJIQZEDTVYLX-KZNAEPCWSA-N 466.384 2.426 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCOC[C@@H]1NC(=O)c1ccsc1B1OC(C)(C)C(C)(C)O1 2255809532 YWRYKRASCNYLIY-CABCVRRESA-N 452.382 2.459 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C1)[C@@H]2NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2255948878 QFFCYLCVQBBJBS-YWVIFJGQSA-N 470.422 2.191 30 10 JEEE C=C(CS(=O)(=O)NC[C@]1(O)CCCN(Cc2ccccc2)C1)B1OC(C)(C)C(C)(C)O1 2255955943 WEUPPOXTNHGFFD-JOCHJYFZSA-N 450.410 2.121 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(C)CCCN(C)C(=O)OC(C)(C)C 2267152197 ONJHITUYSSWLKK-UHFFFAOYSA-N 450.389 2.357 30 10 JEEE C[C@H](CCNC(=O)OC(C)(C)C)CCNC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2268712132 QQHKBFDGESAUMV-HNNXBMFYSA-N 450.389 2.390 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H](C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)C1 2268714766 LSLNSHKQCOQOHW-UKRRQHHQSA-N 467.397 2.131 30 10 JEEE CC1(C)OB(c2ccsc2S(=O)(=O)N[C@@H](COCc2ccccc2)CC(=O)O)OC1(C)C 2269039458 TWEJVSDHJXRSLF-MRXNPFEDSA-N 481.401 2.386 30 10 JEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1 2281794067 AVQMQWNYRWARFP-QZTJIDSGSA-N 461.368 2.135 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CC(F)(F)C1 2282022687 VMAAZHRNNBNUIK-CQSZACIVSA-N 468.310 2.150 30 10 JEEE CN(C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282045271 ZPFPJBRMMDGSHP-MRXNPFEDSA-N 462.400 2.438 30 10 JEEE C[C@H]1C[C@H](NS(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CCN1Cc1ccccc1 2282495346 LCEDJOMRJCYSAR-PKOBYXMFSA-N 474.436 2.051 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCCO[C@@H]2[C@H]1NC(=O)c1coc(B2OC(C)(C)C(C)(C)O2)c1 2282536978 JRJZJVWTVPOUNL-RANZSIQMSA-N 462.352 2.379 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)C[C@]12CCOC2 2282624833 ZMFBFBSJWGYUMS-WNSKOXEYSA-N 462.352 2.477 30 10 JEEE CN(C[C@H]1CCCN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1)C(=O)OC(C)(C)C 2282628528 OMLFMGISFGNRME-MRXNPFEDSA-N 460.384 2.495 30 10 JEEE CC1(C)OB(c2ccc(C(=O)NC[C@@H]3CN(Cc4ccccc4)CCCO3)nc2)OC1(C)C 2282669988 YRXFQIKXEVPWIC-OAQYLSRUSA-N 451.376 2.402 30 10 JEEE COC(=O)[C@@H](CC(=O)N(C)Cc1cc(B2OC(C)(C)C(C)(C)O2)cs1)NC(=O)OC(C)(C)C 2283944033 HZQDIJPJMKMXFZ-MRXNPFEDSA-N 482.408 2.462 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1C(=O)N1CCc2c(B3OC(C)(C)C(C)(C)O3)cccc21 2284044447 ZXHOMLNLAFITOV-FUHWJXTLSA-N 458.364 2.415 30 10 JEEE CCn1c(N2CCOCC2)c(C=C2SC(=S)N(C[C@H]3CCCO3)C2=O)c(C)c(C#N)c1=O 2314425913 AUGFJTXWJNOTFH-OAHLLOKOSA-N 474.608 2.265 30 10 JEEE O=C1C[C@@H](c2nnc(S)n2N=Cc2cc([N+](=O)[O-])c(O)cc2O)CN1Cc1ccccc1 2322249293 AAPYZBYIIVPCMR-CQSZACIVSA-N 454.468 2.285 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1[C@H]2CCC[C@H]2[C@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2334388777 LKZVWQNMTJGPSK-RQJABVFESA-N 464.397 2.137 30 10 JEEE COC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2337395579 BEJRMZKTQWZUOH-AWEZNQCLSA-N 467.397 2.150 30 10 JEEE Cc1scc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2O)c1B1OC(C)(C)C(C)(C)O1 2343512403 UEXNWGBKJHCABR-JKSUJKDBSA-N 466.409 2.456 30 10 JEEE Cn1cc(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 2359267257 XIVQZUFTBGIQLU-ZOBUZTSGSA-N 460.384 2.095 30 10 JEEE CN(C(=O)OC(C)(C)C)[C@@H]1CN(C(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)CC1(C)C 2361515517 QVXAVEMHZUBOSE-MRXNPFEDSA-N 462.400 2.437 30 10 JEEE CC1(C)OB(c2ccccc2CS(=O)(=O)N[C@H](CCO)COCc2ccccc2)OC1(C)C 2369636171 YRRLJZGMUKOCEM-OAQYLSRUSA-N 475.416 2.373 30 10 JEEE C=CCNC(=O)c1ccccc1NC(=C1C(=O)N(C)C(=O)N(C)C1=O)c1cc2ccccc2c(=O)[nH]1 9771164 GQOBZNUSKSCROJ-UHFFFAOYSA-N 485.500 2.318 30 10 JEEE O=[N+]([O-])c1cc(O)ccc1C=NNc1nc(NCc2ccccc2)nc(N2CCOCC2)n1 254528391 NKZGIAHLNUHIQX-UHFFFAOYSA-N 450.459 2.380 30 10 JEEE C#CCN(C(=O)c1ccc2c(=O)n(-c3ccccc3F)c(S)nc2c1)[C@H]1CCS(=O)(=O)C1 729331785 HCYKVLZVYBXWAC-HNNXBMFYSA-N 471.535 2.076 30 10 JEEE C=CCN(C(=O)CN1C(=O)N[C@](C)(c2ccc(OC)cc2)C1=O)c1nc(C(=O)OCC)cs1 749129069 SPEVZHSWJLWQIP-JOCHJYFZSA-N 472.523 2.315 30 10 JEEE C=CCn1nc(C)c(C=NNc2nnc(SCC(=O)c3ccc(OC)c(OC)c3)n2N)c1C 1084054916 AAZFLNKGYNSVKT-UHFFFAOYSA-N 470.559 2.429 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)N2CC[C@](COC)(C(=O)OC(C)(C)C)C2)ccc1F 1151181648 DXPOGYYPWZLVCX-NRFANRHFSA-N 456.536 2.110 30 10 JEEE C#CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@H](C(=O)NC)C1 1286321324 MZNRGOGQJNUGTE-KRWDZBQOSA-N 457.604 2.004 30 10 JEEE C#CCCCCn1c(-c2cnccn2)nnc1N1CCN(CC(=O)N(C)C2CCCCC2)CC1 1286321715 UDXHFAAEZAIXBI-UHFFFAOYSA-N 464.618 2.452 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1Cc1snnc1C)[C@@H]1CCS(=O)(=O)C1 1286388501 QHSZRLQZTSGKGW-MRXNPFEDSA-N 462.988 2.433 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1286439616 TXSVWGUYESFGHD-RBBKRZOGSA-N 466.611 2.316 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CC(=O)NCC=C)CC1 1286473643 VSXDYILOZOHXAM-UHFFFAOYSA-N 457.582 2.410 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCC2CCOCC2)CC1 1286487941 SFNRTBQTZXPLDV-UHFFFAOYSA-N 499.637 2.131 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@]2(O)CCC[C@@H]2C)CC1 1286494754 QVGQXTJPQLSJGQ-HJPURHCSSA-N 456.616 2.151 30 10 JEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 1286508640 OFJFHEYKHGQCSY-QGZVFWFLSA-N 462.620 2.118 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(OCC)c(OC)c2)CC1 1286646823 WBNVPFQNSTVIOD-NRFANRHFSA-N 491.614 2.223 30 10 JEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 1286693454 QDBVSKXZRQLSLO-INIZCTEOSA-N 466.633 2.187 30 10 JEEE C=CCCOCCn1c(Cc2csc(C)n2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1286713046 SNIGBPRBMPUBOX-PGRDOPGGSA-N 487.674 2.215 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCC[C@@H](c2ccnn2C)C1 1286792467 YWDJRZLVIMLISO-GOSISDBHSA-N 465.558 2.285 30 10 JEEE CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 1288099417 ARBHZGXBISIASA-RDPSFJRHSA-N 469.565 2.149 30 10 JEEE CC(C)NS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCOC[C@@H](C2CCC2)C1 1288268576 FTROKUMTJJFBHN-NRFANRHFSA-N 472.615 2.397 30 10 JEEE C[C@H]1CCCN([C@@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCCN(S(C)(=O)=O)CC2)C1 1291105304 HJJSWVVXDHSOQL-PMACEKPBSA-N 485.658 2.409 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOc1cccc(C(F)(F)F)n1 1300310071 WMLYTVPRSZANFA-UONOGXRCSA-N 457.478 2.131 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCC(=O)N1CCCCCC1)[C@H]1CCS(=O)(=O)C1 1300493132 QTNAZTSWHCVSFY-FQEVSTJZSA-N 484.626 2.068 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccc(Br)cc2)n1C[C@@]1(O)CCO[C@@H]1C 1300548842 QHUHTTOSHGKUOE-IERDGZPVSA-N 459.344 2.232 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1OCC[C@H]1C 1300584038 ODSFOTBSBFDQEB-HSALFYBXSA-N 457.575 2.474 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCCOc2ccc(C)cc2)CC1 1300710734 JNFBGWCQCPRFCE-UHFFFAOYSA-N 478.597 2.257 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H](C(C)C)N2CCOCC2)CC1 1300711056 RTIUJKSFGCYRDU-DNVJHFABSA-N 472.678 2.309 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2sc(C)nc2C)CC1 1300712343 PNFNKZPVAQNZPQ-UHFFFAOYSA-N 478.582 2.013 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](c2ccccc2)N(C)C)CC1 1301123378 BWKVKZNSMGLDCB-YADHBBJMSA-N 488.658 2.316 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)c2nccs2)CC1 1301123839 FHRWHSINVYYFAA-WBVHZDCISA-N 466.633 2.274 30 10 JEEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(=O)Nc2ccc(F)cc2)CC1 1301429296 SMBXAOBTPAUGMJ-AWEZNQCLSA-N 465.555 2.004 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCN(C)C(=O)[C@@H]1C 1301480581 AWTXBJLACZOHTP-IBGZPJMESA-N 461.570 2.322 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](C2CC2)C1 1301502830 PZQFDPRROBHATC-QZTJIDSGSA-N 460.579 2.125 30 10 JEEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC(Oc2ccc(C)cc2)CC1 1301509839 NTKKTIYPBUKZLM-UHFFFAOYSA-N 452.559 2.059 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CCC2(CCN(C)C2=O)CC1 1301515173 QFXZHGRGWJLRMF-UHFFFAOYSA-N 466.586 2.170 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc(Br)o1 1301568440 SJYFZGBNUATPNP-UHFFFAOYSA-N 486.392 2.107 30 10 JEEE CCOC(=O)c1c(NC(=O)[C@H]2CCCN(C(=O)c3ccncc3)C2)c(C#N)cn1CCOC 1354104551 GQUUBBWANNDYBG-KRWDZBQOSA-N 453.499 2.069 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCN1CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1358958049 GMZOSKRIQMYZLK-NQIIRXRSSA-N 486.598 2.212 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2cc(F)cc(OC)c2)CC1 1359029700 FOJITAABOBISCQ-XMMPIXPASA-N 457.550 2.270 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCC(=O)N[C@H](C)CC)CC1 1359045415 GINWXUQKQGUQJL-XMSQKQJNSA-N 494.596 2.061 30 10 JEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1359048509 STJDVABDRRZGIF-UHFFFAOYSA-N 463.611 2.074 30 10 JEEE C=C(C)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCN(C(C)=O)C[C@H]1C 1359123406 HKFHHFDVBCDFPY-OAQYLSRUSA-N 451.619 2.276 30 10 JEEE C=CCC(C)(C)Cn1c(C)nnc1N1C[C@@H]2[C@H](C1)[C@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1359183610 PMECCMRZHNLKGB-BRWVUGGUSA-N 453.609 2.315 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1359294559 XMRTZPLFEAXVRJ-UHFFFAOYSA-N 485.545 2.460 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1359305214 WQAGSCLCIONSED-FQEVSTJZSA-N 466.586 2.367 30 10 JEEE C=CCOc1ccc(Cn2c(CC)nnc2N2C[C@@H](N3CCN(C(C)=O)CC3)[C@H](C)C2)cc1 1359308125 FEGBYZRRNOUWOB-AUSIDOKSSA-N 452.603 2.442 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1359333482 ZCPLRWUXGWVONP-OKZBNKHCSA-N 483.635 2.122 30 10 JEEE CC(=O)N(C)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCNC(=O)C(C)C)CC1 1359354775 YSWDGZNFARVOBI-UHFFFAOYSA-N 481.601 2.338 30 10 JEEE CC(=O)N1CCc2c(sc(NC(=O)c3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)c2C#N)C1 1437998855 GOBGMINSNHQBNJ-MRXNPFEDSA-N 451.552 2.478 30 10 JEEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCO[C@@H]3CCN(Cc4ccccc4)C[C@@H]32)c1 1452831356 ITSSQYNLHGNWDU-XZOQPEGZSA-N 455.580 2.266 30 10 JEEE COCCN(CCC#N)S(=O)(=O)N1CCN([C@@H](C)c2ccc(Br)cc2)CC1 1463089179 HJTJLAFZTUTHCG-INIZCTEOSA-N 459.410 2.235 30 10 JEEE CS(=O)(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCC=CO2)C1 1505128697 CRKNGNBZFBFMHN-VQTJNVASSA-N 457.556 2.435 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OCC)CCOC3)n2CC2(C(N)=O)CCCC2)c1 1507548587 BBVGRBHIFKOXNA-AREMUKBSSA-N 494.596 2.032 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2CC[S@@](=O)C(C)(C)C)c1 1507549878 AOFWCXFBCZTBPT-ZUQCGGBESA-N 457.600 2.385 30 10 JEEE C#CCN(c1nnc(CCCc2ccccc2)n1CCC(=O)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1507639460 KKEYWJYANYTCHR-HSZRJFAPSA-N 497.665 2.483 30 10 JEEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCO[C@@H]1C(=C)C 1507709951 GUJJBBUZHPJKCT-AZUAARDMSA-N 472.615 2.305 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCN(C)C(=O)OC(C)(C)C)CC1 1507719622 DGJULNAFPCWUPF-UHFFFAOYSA-N 469.546 2.475 30 10 JEEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1507833509 YPIQCVNFTXCAKV-UHFFFAOYSA-N 465.587 2.086 30 10 JEEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1507914975 QTCUNVCPLBODEK-ROUUACIJSA-N 476.651 2.386 30 10 JEEE C#CCCCn1c(COc2cccc(C)c2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1539134433 XBCLZDUPSYILRT-UHFFFAOYSA-N 459.554 2.399 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@](C)(O)[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1539213458 ZOMIHVPCOQIKFE-KUDFPVQQSA-N 466.007 2.417 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H](C)COc1ccccc1OC)[C@@H]1CCS(=O)(=O)C1 1539219792 FMHFFHKOLDETFE-VAMGGRTRSA-N 488.610 2.132 30 10 JEEE C#CCN(c1nnc(CSc2ccccc2OC)n1CCc1cn[nH]c1)[C@@H]1CCS(=O)(=O)C1 1539231817 XDCCWHLBRZVKDW-GOSISDBHSA-N 486.623 2.172 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](C1CC1)N(C)C 1539312061 HWHUHHZJJUBEJB-HXUWFJFHSA-N 453.616 2.041 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1(N(C)C)CCOCC1 1539315787 UJRBXPVIIIEZNG-UHFFFAOYSA-N 487.608 2.249 30 10 JEEE C#CCN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCS(=O)(=O)NC(C)C 1539369297 JBYROPBHCCHICB-UHFFFAOYSA-N 482.651 2.180 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@H]1CCCS(=O)(=O)C1 1539400542 GKFUAFVOHPAUOD-GOSISDBHSA-N 468.583 2.246 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCN2CCOC(C)(C)C2)CC1 1539461383 FGOFJKJDGBEVKR-UHFFFAOYSA-N 466.630 2.340 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@H](C(C)C)N2CCOCC2)CC1 1539462770 YLWFBZMHZQRPCT-HSZRJFAPSA-N 470.593 2.108 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC[C@@H]1COCCO1 1539556638 FSCLGUULFKPXKY-YDIMBITNSA-N 475.590 2.384 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)CN1CCCCC1 1539669175 MRRRAZSORPSQLH-PMACEKPBSA-N 468.668 2.135 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCOC(C)(C)C1)C(C)C 1540152368 SPZJCDCGMZPTLG-VQTJNVASSA-N 465.664 2.494 30 10 JEEE C=CCn1c(-c2ccccc2F)nnc1N1C[C@@H]2[C@H](C1)[C@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1540856589 NFTMAJNVBAXSNK-KBAYOESNSA-N 477.562 2.397 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1540862659 GOVJIHDJNOCRMN-NVXWUHKLSA-N 458.950 2.185 30 10 JEEE C=CCOc1ccc(Cn2c(N3CCNC(=O)[C@@H]3CC)nnc2[C@@]2(OCC)CCOC2)cc1 1540878718 GBLLYTSHVBYFEP-GBXCKJPGSA-N 455.559 2.258 30 10 JEEE C=CCS(=O)(=O)CCNC(=O)NCc1ccccc1CN1CCN(c2ccccc2)CC1 1563443428 PXOAIBXDKBDOAC-UHFFFAOYSA-N 456.612 2.409 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](c2ccco2)N(C)C)c1 1587693153 PVUYXFZKOCOENF-PMACEKPBSA-N 475.553 2.181 30 10 JEEE C#CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1587847525 MRDNHTVYCZKJKG-MRXNPFEDSA-N 454.556 2.411 30 10 JEEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1587861220 IGHNUBHDOBAFPO-WOJBJXKFSA-N 469.590 2.176 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1588028879 AHEDCPQCSDAXOU-SJLPKXTDSA-N 462.547 2.099 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@H]1OCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1588068833 AFIAVNVXJTWJKZ-SFHLNBCPSA-N 458.584 2.217 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3noc4c3COCC4)n2CC(F)(F)F)n1 1588723523 OCXKZFWUGPKNHY-UHFFFAOYSA-N 465.436 2.051 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCCn2cccn2)CC1 1588876798 JTWSEMKOYWISHW-BGYRXZFFSA-N 468.606 2.091 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CC[S@@](=O)C(C)(C)C)CC1 1588923462 AAEQHEYECXRFEI-JGCGQSQUSA-N 456.616 2.162 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1cccc(Cl)c1 1589215817 DVYTUXOTPZXBBM-SIKLNZKXSA-N 494.017 2.336 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1589731713 SSHOGAFNAIGCPR-UHFFFAOYSA-N 486.642 2.059 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 1594455346 OZGMLNGSQCSJDB-LJQANCHMSA-N 488.658 2.382 30 10 JEEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1594692817 HFPMDYHATIHIRY-GOSISDBHSA-N 481.644 2.175 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1595506570 FDOQBXMOIDSYFE-UHFFFAOYSA-N 481.645 2.251 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1595595056 RDRSKUOBVWWAFL-UHFFFAOYSA-N 474.537 2.356 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CCC(N(C)C(C)=O)CC1 1595823560 PDRMCOXZUXLTFD-UHFFFAOYSA-N 475.615 2.213 30 10 JEEE CC(=O)N1CCN(CCn2c(Cc3c(F)cccc3F)nnc2N(CCC#N)CC2CC2)CC1 1596289931 UGMGQQMWDVHPNP-UHFFFAOYSA-N 471.556 2.441 30 10 JEEE COc1ccc(CCn2c(Cn3nc(C)cc3C)nnc2N2CCO[C@@H](C#N)C2)c(OC)c1 1619252897 AHXQYHFQLKRLCJ-FQEVSTJZSA-N 451.531 2.128 30 10 JEEE C#CC[C@@]1(C(=O)NCC(=O)N2CCN(c3ccccc3)CC2)CCCN1C(=O)OC(C)(C)C 1626141829 YBWXBWRVLIBISO-VWLOTQADSA-N 454.571 2.244 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1Cc1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1689984727 UERVLTCWSZSMAB-SFHVURJKSA-N 485.566 2.242 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCO[C@H]1C(C)C)[C@@H]1CCS(=O)(=O)C1 1689990423 OCIFTFFYSCHYHV-YRPNKDGESA-N 450.605 2.208 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2cccc(COC)c2)CC1 1690113810 VMEPAALPDYCJQL-VWLOTQADSA-N 453.587 2.269 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2C[C@]2(O)CCSC2)CC1 1690117632 PQUKSOFXAWKBDW-OAQYLSRUSA-N 492.443 2.339 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1690235862 FOUABUPHANYJPL-UIFIKXQLSA-N 471.606 2.489 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)CC(=O)N1CCOCC1 1690241819 XYXLUTQZTSBIEW-CVDCTZTESA-N 485.585 2.239 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC(OCCOC)CC1 1690678391 UXFIGAGNXQXXMR-IBGZPJMESA-N 492.621 2.284 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@]2(C)OCCc3sccc32)C1 1690686193 KOTPQLHVFZMUAH-WHSLLNHNSA-N 481.644 2.219 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(Cl)cc2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1690730155 YLWIGFYVVANUSP-INIZCTEOSA-N 498.005 2.388 30 10 JEEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 1690742629 WUWDPCYQUOYCOA-HFSMHLIXSA-N 472.663 2.401 30 10 JEEE CC(C)(C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(N2CCNC2=O)CC1 1691206413 GCHOJBXEPCFLCL-UHFFFAOYSA-N 464.574 2.116 30 10 JEEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCC(CC#N)CC3)n2Cc2cc(F)ccc2F)C1 1698312165 BWKQCBXWZANTLL-IBGZPJMESA-N 480.541 2.068 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCCN1CCN(CC)CC1 1705481173 BAESCIFYFLBCDW-FQEVSTJZSA-N 472.659 2.224 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1Cc1ccccc1CN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1705560942 OMZOWPMSJOOJGU-NFBKMPQASA-N 485.654 2.299 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1CCN1CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1705569629 FGYOSSVWRPGCPU-UNMCSNQZSA-N 455.628 2.288 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(N2CCCC2)CCOCC1 1705576514 MMIQOGIZVYCVGU-UHFFFAOYSA-N 481.622 2.066 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2CCNc2nccc(C(F)(F)F)n2)CC1 1705639456 OSMYEQAJCDFNHJ-INIZCTEOSA-N 464.496 2.196 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCN(C)[C@H](C)CC)CC1 1705648758 YIIBFPFXSJYCSY-AUSIDOKSSA-N 480.613 2.487 30 10 JEEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1705654636 OJQKOJWQAMATJZ-LJQANCHMSA-N 490.611 2.224 30 10 JEEE C#CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(C)=O)CC1 1705665530 WOOJQFPHAULXAI-SFHVURJKSA-N 462.620 2.385 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 1705693442 GQHNYSPTRAVAKP-NFBKMPQASA-N 498.603 2.428 30 10 JEEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(N2CCCCC2=O)CC1 1705824916 DQOKMAOJGHGUDF-UHFFFAOYSA-N 467.574 2.499 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1cc(C2CC2)ccc1F 1706870354 ALXSCYYBWGMDJN-RBZFPXEDSA-N 450.515 2.395 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H](c1ccccc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1722360202 FASANEVAQVUPSF-FCHUYYIVSA-N 464.595 2.270 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(Br)cn2C)n1C[C@H]1NC(=O)CC1(C)C 1722395294 XXRJYZQMONSEAB-QGZVFWFLSA-N 457.376 2.424 30 10 JEEE C=CCC(C)(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(CC(=O)NCC)CC1 1722584990 MSBIUZBVUVDWNN-UHFFFAOYSA-N 488.658 2.209 30 10 JEEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1722683697 WHXYGRPXESGZMD-JTSKRJEESA-N 461.588 2.156 30 10 JEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1722739224 TTXLURNXJLBZMT-MOPGFXCFSA-N 479.676 2.224 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCc1ccccn1 1722862363 ICEJNVGHKPAHAH-KRWDZBQOSA-N 453.572 2.429 30 10 JEEE CN(c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCC=CO1)C1CCN(S(C)(=O)=O)CC1 1729369135 DTARIPJBXWQBSQ-OAQYLSRUSA-N 486.598 2.282 30 10 JEEE CS(=O)(=O)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCOC[C@@H](C2CCC2)C1 1731005532 CHDGVURSTDBFLR-FQEVSTJZSA-N 473.599 2.416 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(=O)N(C)Cc1ccccc1 1740547368 SPQLEPLRBQMUQX-GOSISDBHSA-N 479.610 2.355 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCn1cc(CO)nn1 1740554913 XOHXLQXYHHENNH-QZTJIDSGSA-N 472.594 2.025 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@@](C)(O)c1cccs1)[C@@H]1CCS(=O)(=O)C1 1740619938 RQLKROOMQKQTOM-IIBYNOLFSA-N 460.581 2.442 30 10 JEEE C#CCN(c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@@H]1CC=CCO1)[C@@H]1CCS(=O)(=O)C1 1740619939 MYWCWYQSUPJNQC-UXHICEINSA-N 486.594 2.324 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1cccc(C(F)(F)F)n1)[C@H]1CCS(=O)(=O)C1 1740620626 FSZKLPRIOLIPSL-HNNXBMFYSA-N 464.473 2.362 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1CCc1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 1740620974 IZYUKYNZTZRQIY-IBGZPJMESA-N 453.568 2.162 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@H](C)N1CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1740624018 CEHVOLXHQFZUQG-URVUXULASA-N 470.643 2.011 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1nnc(C)s1 1740640289 JVBINZBINPFXKX-KRWDZBQOSA-N 471.587 2.062 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)c1nc(-c2ccccc2)no1 1740657628 UPSBXKXPSQTQBP-QUCCMNQESA-N 478.578 2.497 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC2(O)CCOCC2)CC1 1740701414 GRNKSPDZSJWEEA-UHFFFAOYSA-N 457.962 2.106 30 10 JEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1740709966 OGKPKODDINWNLZ-UHFFFAOYSA-N 462.620 2.185 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1740744649 CWJDJIQRLQHJDK-LSDHHAIUSA-N 459.352 2.067 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1740851343 TWPQGTNBWFLXGN-GOSISDBHSA-N 486.646 2.023 30 10 JEEE C=CCn1c(-c2cc(OC)ccc2Br)nnc1N1CCN(CCOC)C(=O)C1 1740944171 XPHNGTTUOYZFQW-UHFFFAOYSA-N 450.337 2.197 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)c(Br)c2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1740988261 YRCIULMVEQMGKE-CALCHBBNSA-N 483.388 2.178 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCO[C@](C)(c2ccccc2)C1 1740989917 BVFHKEUAHGCMQJ-QFIPXVFZSA-N 454.556 2.088 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1Cc1csc(C)c1)[C@H]1CCS(=O)(=O)C1 1748802640 QNYZZVVEWGJIAB-SFHVURJKSA-N 463.629 2.241 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1C[C@H](c1ccc(C)o1)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1748803915 BAPGRTSTNFHKHW-HLAWJBBLSA-N 489.642 2.393 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCO[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1748809958 XWSUEWJINUIUKQ-YFVAEKQCSA-N 453.568 2.259 30 10 JEEE C#CCN(c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCCOC)[C@@H]1CCS(=O)(=O)C1 1748817909 SJAXLYFQDVGQPZ-LJQANCHMSA-N 495.646 2.056 30 10 JEEE C#CCN(c1nnc(CC2CCCC2)n1Cc1cccc(C(=O)NCC)c1)[C@H]1CCS(=O)(=O)C1 1748821763 VCFLAPDAPCBPLY-QFIPXVFZSA-N 483.638 2.436 30 10 JEEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1CN(C(=O)OC(C)(C)C)C1 1748916929 JURJMCLMSVFDTB-UHFFFAOYSA-N 463.546 2.247 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 1749000866 BZROUULJQIDPQE-HBMCJLEFSA-N 488.633 2.157 30 10 JEEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCOC2(CCC2)C1 1749024468 RLNCIGWXIIXRFG-UHFFFAOYSA-N 475.640 2.321 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)OCCOC)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1749055097 DZPPBESEKRLTHS-FAKFISEUSA-N 479.647 2.198 30 10 JEEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cn(C)nc1-c1ccccc1)C1CC1 1749507932 DSZQPCUGGHUXPT-MRXNPFEDSA-N 455.588 2.492 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@@H](C(=O)NC)C1 1749651470 VWVYKUIANHWZAG-HZPDHXFCSA-N 460.966 2.336 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1749679801 BFJCXOZTPBRQHD-FPOVZHCZSA-N 470.643 2.338 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)NC(CC)CC)nnc2N2CC(=O)N(C)[C@@H](C)C2)cc1 1749683359 QTYDJKWEBBGHSI-KRWDZBQOSA-N 454.575 2.477 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N(C)CC(=O)Nc1cc(F)cc(F)c1 1749731345 BTGPGPBYGYYUFN-OAHLLOKOSA-N 483.541 2.126 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCN(Cc2cccc(F)c2)CC1 1749736684 NBTSKYUJEJHDHF-UHFFFAOYSA-N 484.601 2.326 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@]1(C)CCCS1 1750965058 CDZWOCAVLFLKLA-QFIPXVFZSA-N 454.604 2.295 30 10 JEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1C[C@H](C)SC)[C@H]1CCS(=O)(=O)C1 1760191880 OKOXBZIKZAPDRN-HKUYNNGSSA-N 462.641 2.450 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCC(=O)NC(C)(C)C 1760212305 SXIHJYSNIKTYQB-UHFFFAOYSA-N 483.642 2.314 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(Br)cc3)n2C[C@@H](F)COC)CC1 1760260764 DHSLCOHDNWLILU-QGZVFWFLSA-N 466.355 2.359 30 10 JEEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(c2nc(-c3ccccn3)no2)CC1 1760341736 TWZFSNQVINRKQH-HNNXBMFYSA-N 472.575 2.293 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1760358584 XAUZYRAIRAYSPJ-OAHLLOKOSA-N 464.510 2.121 30 10 JEEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](c2noc(C3CC3)n2)C1 1760366163 RHBLEEOCQMBJTF-OCCSQVGLSA-N 455.972 2.285 30 10 JEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cnc(C)s1 1760428556 YOSXVSNTIAJUGT-KRWDZBQOSA-N 454.622 2.369 30 10 JEEE C=CCCOCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1760445110 ABNHYSKJYLLXBD-INIZCTEOSA-N 460.966 2.121 30 10 JEEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1760514114 RTVPDNWZDYJLMJ-KRWDZBQOSA-N 456.551 2.123 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(Cc2cnc(C)s2)CC1 1760517985 DNFOXFHKXHTKTA-UHFFFAOYSA-N 473.006 2.383 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCC(Cn2cncn2)CC1 1760553222 OLJFLSLFXHSCDD-UHFFFAOYSA-N 455.588 2.362 30 10 JEEE CC(=O)N1CCC(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCO[C@@H](C#N)C2)CC1 1760585823 DHUULQVUGOCTTH-INIZCTEOSA-N 462.352 2.023 30 10 JEEE CC(C)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCC(=O)N(C)C)[C@@H](C)C1=O 1761120645 AVBMVEDOXOUWPV-SFHVURJKSA-N 451.575 2.378 30 10 JEEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCNc2nccc(C(F)(F)F)n2)C1 1761544289 AHTVSWYOCNNDRW-AUUYWEPGSA-N 498.535 2.231 30 10 JEEE CCN(CC)C(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2([S@@](C)=O)CC2)CC1 1766581275 DGYSLLVZISETRP-PGUFJCEWSA-N 499.641 2.224 30 10 JEEE COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(-c2ccccc2)no1 1769844801 DKNQEFITBWTMEL-GOSISDBHSA-N 470.555 2.250 30 10 JEEE COc1ccc2nc(SCC(=O)NCCc3ccc(S(N)(=O)=O)cc3)c(C#N)cc2c1 1858204709 LMCXKECFYXNFFI-UHFFFAOYSA-N 456.549 2.213 30 10 JEEE C=CCOc1ccccc1OCC(=O)Nc1c(C#N)nnn1-c1ccc(N2CCN(C)CC2)cc1 1870146048 BASIKNOCNKUEKE-UHFFFAOYSA-N 473.537 2.473 30 10 JEEE C=CCn1c(C(=O)Nc2ccc(I)cc2)cc2c(=O)n(C)c(=O)n(C)c21 1873597986 SFGUZNOUTZWTDA-UHFFFAOYSA-N 464.263 2.082 30 10 JEEE COC(=O)CSc1nnc([C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)n1/N=C/c1ccncc1 1874200758 JMSVSUSNORTVEU-UPVZUOOXSA-N 466.523 2.350 30 10 JEEE CC(=O)NCc1nnc(SCC(=O)Nc2ccccc2)n1/N=C/c1ccccc1C(=O)O 1874431480 UAKWDLYXMAIGHD-FOKLQQMPSA-N 452.496 2.225 30 10 JEEE COc1cc(/C=N/n2c(SCCCO)nnc2C(F)(F)F)ccc1OCCN1CCOCC1 1874462448 ULABOSUGJHZJPL-ZVHZXABRSA-N 489.520 2.373 30 10 JEEE C=CCOc1ccccc1OCc1nnc2sc(CCCNC(=O)COCCOC)nn12 1874803893 KBDIFPORAWATOM-UHFFFAOYSA-N 461.544 2.041 30 10 JEEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)O)sc2Br)[C@H](C#N)C1 2162597437 CZJNKTHKELIAFG-SECBINFHSA-N 480.362 2.342 30 10 JEEE CC(C)(C)OC(=O)NCCONS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2255931425 KUIZCRSWWJHCKG-UHFFFAOYSA-N 476.788 2.374 30 10 JEEE CCC1(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)CC(NC(=O)OC(C)(C)C)C1 2256672118 BVJLLDKNUIKCQL-UHFFFAOYSA-N 452.386 2.281 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H]1C[C@H](F)CN(C(=O)OC(C)(C)C)C1 2267217887 NGCFJZWRMHEADN-JKSUJKDBSA-N 451.348 2.402 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2268656120 SUYRIXJLVIHCFG-YOEHRIQHSA-N 450.316 2.434 30 10 JEEE C[C@H]1CCCN(C(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)[C@@H]1CNC(=O)OC(C)(C)C 2281827242 SUZBGVYFJLEBPN-DOTOQJQBSA-N 462.400 2.485 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(F)c(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)c1 2282019792 QNUOPHBWEOZKHD-IRXDYDNUSA-N 464.343 2.143 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C1CC1 2282050708 CSMLXRDAMHKMDN-IAGOWNOFSA-N 460.384 2.237 30 10 JEEE CCn1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H]3CC[C@@H]32)nc1B1OC(C)(C)C(C)(C)O1 2282052939 RJSPLFMNOKVKEH-DLBZAZTESA-N 460.384 2.426 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](NC(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)C[C@]2(C)C1 2282064434 ZWSIQKJGGBFQLJ-XAPDGSRCSA-N 460.384 2.474 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CCCO[C@@H](CNC(=O)OC(C)(C)C)C1 2282182835 YCXSCKMKTDFCKR-KRWDZBQOSA-N 463.384 2.080 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C[C@@H]1O 2282192032 RSKBSZFZFINLDU-IPELMVKDSA-N 460.380 2.380 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC3(CCC[C@@H]3NC(=O)OC(C)(C)C)C2)n1 2282551029 GXSMNVRGWAZFOZ-INIZCTEOSA-N 460.384 2.239 30 10 JEEE CCc1nn(C)c(C(=O)N2C[C@H]3C[C@H]2CN3C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2282559616 QGPZHZPKCFRQEY-LSDHHAIUSA-N 460.384 2.116 30 10 JEEE Cn1cc(C(=O)N[C@@H]2C[C@H](CNC(=O)OC(C)(C)C)C2(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2282583296 ICFCWXZRAKUATH-GDBMZVCRSA-N 462.400 2.389 30 10 JEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C1 2282831410 JVVYGCYKYBBHHV-YPMHNXCESA-N 496.382 2.433 30 10 JEEE C[C@@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C)c1cnn(Cc2ccccc2)c1 2282855880 KKBBJZPQJDRXCM-MRXNPFEDSA-N 471.392 2.004 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](C(=O)NCc2ccccc2B2OC(C)(C)C(C)(C)O2)C[C@@H](O)C1 2284067834 TYEXBYLEVNTDSF-ZWKOTPCHSA-N 460.380 2.220 30 10 JEEE COCC(CNC(=O)OC(C)(C)C)(COC)Oc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2284385027 MWOLMEVANZMZSO-UHFFFAOYSA-N 470.347 2.455 30 10 JEEE CC1(C)OB(c2cccc(CS(=O)(=O)N[C@@H](COCc3ccccc3)C(=O)O)c2)OC1(C)C 2284395256 JKQKBRGXBICNBV-FQEVSTJZSA-N 475.372 2.075 30 10 JEEE CCCn1c(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 2314460004 RBNQZKRGWGZTFG-CHWSQXEVSA-N 490.607 2.338 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H](CO)C(=O)NCc1sc(Cl)cc1B1OC(C)(C)C(C)(C)O1 2320682327 VMDNYBHCTQORBB-LBPRGKRZSA-N 474.816 2.450 30 10 JEEE COc1ccc(N2C[C@H](c3nnc(S)n3N=Cc3ccccc3S(=O)(=O)O)CC2=O)cc1 2322274395 ZINJJUHDRYRRIY-CQSZACIVSA-N 473.536 2.225 30 10 JEEE CCCOC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1N=Cc1ccc(O)cc1O 2329063289 JXCKVMIEDVSWFY-OAHLLOKOSA-N 461.544 2.341 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1[C@H]2C[C@@H](CN(C(=O)[C@@H]3C[C@@H]3B3OC(C)(C)C(C)(C)O3)C2)[C@H]1CO 2334262801 PNSBXJIUVZODAZ-ARAZSQDJSA-N 450.385 2.449 30 10 JEEE CC(C)(C)OC(=O)N1CC(OCCCNC(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)C1 2337063475 CKFOXFZJZWEMOC-UHFFFAOYSA-N 450.341 2.335 30 10 JEEE CC(C)(C)OC(=O)N1CC(C(=O)N2CCC(B3OC(C)(C)C(C)(C)O3)CC2)(S(C)(=O)=O)C1 2351687129 OVPOEHGFTUTSJJ-UHFFFAOYSA-N 472.413 2.105 30 10 JEEE Cn1ncc(C(=O)NC[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2359277391 MVWGUDKPZFETFD-UXLLHSPISA-N 460.384 2.237 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(O)cc1O 2359285821 QVELFTOJQVAVLU-XLWVJDPXSA-N 460.336 2.135 30 10 JEEE COc1nc(N2CCN(C(=O)OC(C)(C)C)[C@@H]3COC[C@H]32)ccc1B1OC(C)(C)C(C)(C)O1 2365348670 TWOOGQAMLXTFTB-IAGOWNOFSA-N 461.368 2.214 30 10 JEEE C=CCc1c(OS(C)(=O)=O)ccc2c1c(S(=O)(=O)c1ccccc1)cn2S(C)(=O)=O 101106519 ZSXFFBKJQMZSHB-UHFFFAOYSA-N 469.562 2.349 30 10 JEEE COc1ccc([C@H]2/C(=C(/O)c3ccc([N+](=O)[O-])cc3)C(=O)C(=O)N2CCOCCO)cc1OC 103117714 SDECZCAXCXKPPP-LCPUNJGISA-N 472.450 2.043 30 10 JEEE CO[C@@H](O)C(=O)[C@@]12OC(C)(C)O[C@@H]1C[C@H]1[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]12C 605696130 UXVHXUWPMPKQEY-KFSVAXOMSA-N 482.520 2.339 30 10 JEEE COc1ccc([C@H](CNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)N2CCCC2)cc1 610089930 CKNLDHGBJAEKFN-QHCPKHFHSA-N 497.621 2.420 30 10 JEEE C#CCN(C(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(C)cc2)c1)[C@@H]1CCS(=O)(=O)C1 729330318 AJASMVYMGURUQP-HXUWFJFHSA-N 460.577 2.367 30 10 JEEE C#CCN(C(=O)c1ccc(OC)c(S(=O)(=O)Nc2ccc(CC)cc2)c1)[C@@H]1CCS(=O)(=O)C1 729331464 PFWRTVRYLPPINX-HXUWFJFHSA-N 490.603 2.321 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC[C@@H](C(=O)Nc3cccc(C)n3)C2)ccc1F 919847309 AIACPCVHOJVNRO-QGZVFWFLSA-N 460.531 2.484 30 10 JEEE Cc1nn(C(C)C)c(C)c1C=NNc1nnc(SCC(=O)Nc2ccccc2C#N)n1N 1084575220 LAVACBDUDGFGLT-UHFFFAOYSA-N 452.548 2.435 30 10 JEEE C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@H](CO)Cc2ccccc2C(F)(F)F)cc1 1150029449 GCAQWFDDCFDKDY-OAHLLOKOSA-N 454.470 2.198 30 10 JEEE N#Cc1ccc(S(=O)(=O)CCn2nnc(C3(NC(=O)c4ccccc4)CCCC3)n2)cc1 1188822464 BXQQBZITYAWJGK-UHFFFAOYSA-N 450.524 2.218 30 10 JEEE C=C(C)CN1CCC(NC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2CC)CC1 1207338799 CIAMUBGYYQFCNN-UHFFFAOYSA-N 450.605 2.432 30 10 JEEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1286337507 JWADSSFONJKJTN-OAHLLOKOSA-N 454.394 2.473 30 10 JEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 1286350313 ZGOAUXPCAJVUMN-SJLPKXTDSA-N 464.613 2.195 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCOC2CCCCCC2)CC1 1286487317 UMEPHPQLUQDHMJ-UHFFFAOYSA-N 458.607 2.122 30 10 JEEE C=C(C)COCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1286603501 FRJDJMVYLNAMFK-NRFANRHFSA-N 485.585 2.383 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(N(C)C)c(F)c2)CC1 1286664107 UAZQTHFSZLYUDX-NRFANRHFSA-N 492.621 2.267 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](Oc2ccccc2)C1 1286814855 XILHHAQPIOOIEK-LJQANCHMSA-N 461.588 2.065 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1286820451 LRASGJCYWULNTE-OALUTQOASA-N 475.619 2.016 30 10 JEEE C=CCS(=O)(=O)CCn1c(CSc2ccc(C)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1286823463 NWOSEEWENDJOQZ-JOCHJYFZSA-N 475.640 2.196 30 10 JEEE CCS(=O)(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(NC(C)=O)nc1 1297677128 GZBNCTCFNNLJFU-UHFFFAOYSA-N 467.555 2.089 30 10 JEEE CO[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1)C(C)C 1299714250 BZYWOQGMLQXOJS-XZOQPEGZSA-N 495.628 2.143 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(F)cc2Br)n1CCCn1cc(CO)nn1 1300286728 NMBVKVFHNOLLJZ-CYBMUJFWSA-N 462.327 2.479 30 10 JEEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1300320751 JLLDBUUDKRNTOF-QFBILLFUSA-N 462.476 2.450 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CC(C)(C)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1300479751 RTMJHMXLAHLLEH-HXUWFJFHSA-N 492.690 2.088 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1CC1(C)CCOCC1)[C@H]1CCS(=O)(=O)C1 1300501106 GYUFNJHBYOSENL-SFHVURJKSA-N 463.629 2.077 30 10 JEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](CN2CCCCCC2)C1 1300732896 FLMIBXWHUDMFLN-VQTJNVASSA-N 482.720 2.347 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@]1(O)CCO[C@@H]1C 1300904637 DERPBODJBBXABM-VGOFRKELSA-N 463.604 2.138 30 10 JEEE C=CC1CCN(c2nnc(CN3CCCC3=O)n2CCc2ccc(S(C)(=O)=O)cc2)CC1 1301130140 PMCBPBPRVCUGPA-UHFFFAOYSA-N 457.600 2.449 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 1301151699 OYVKAYIMMXSESM-QYZOEREBSA-N 467.636 2.361 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N(C)C1CCN(CCC)CC1 1301500435 MLQNIPHEENRFSL-OAQYLSRUSA-N 454.575 2.403 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC(CO)(Cc2ccccc2)CC1 1301589892 ZMJQEGRRJHXGAF-OAQYLSRUSA-N 474.627 2.204 30 10 JEEE CN(CCN1CCOC(C)(C)C1)c1nnc(-c2ccc(C#N)cc2)n1CC1(S(C)(=O)=O)CCC1 1314870494 AUEUCLJGGIVRCV-UHFFFAOYSA-N 486.642 2.331 30 10 JEEE C#Cc1cccc(N(CC(=O)NC)C(=O)c2cnn(C(C)C)c2I)c1 1351841526 LITBTDLWFYGYKJ-UHFFFAOYSA-N 450.280 2.443 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CCCS(=O)(=O)C1 1358875930 YZWKPUFLKUFEMJ-KBPBESRZSA-N 454.394 2.329 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CCC(=O)NC2CCCCC2)c1 1358902001 CHNWMGFYBYMVOG-NRFANRHFSA-N 491.596 2.124 30 10 JEEE C#CCN(c1nnc(C2CCCC2)n1CCNC(=O)c1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1358961556 BAUWMPGOXHJLIY-GOSISDBHSA-N 473.574 2.132 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1CCNc1nccc(C(F)(F)F)n1 1359024054 DNXLBVNEIOEJFN-OAHLLOKOSA-N 453.469 2.179 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2C[C@H](C)O[C@@H](C)C2)CC1 1359043020 DBTWAIXCNUGTIT-SFTDATJTSA-N 489.624 2.282 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2cccc(F)c2)CC1 1359056719 KGKNXZGROMDKSU-LJQANCHMSA-N 477.631 2.008 30 10 JEEE C=CCC(C)(C)Cn1c(-c2ccccc2OC)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1359186096 UWXCEZUUJLKYHO-UHFFFAOYSA-N 496.612 2.063 30 10 JEEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccccc2C#N)CC1 1359203205 KNHIFVMWXQJETO-JOCHJYFZSA-N 499.641 2.166 30 10 JEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(SCC)c1 1359240128 GOCBLOBWASXWEH-GOSISDBHSA-N 451.618 2.394 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(c2nccs2)CC1 1359303978 HILAMRINFOJCFX-UHFFFAOYSA-N 478.582 2.204 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1359304903 NCAVJXPKBOGUNE-UHFFFAOYSA-N 494.518 2.363 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc3ccccc3o2)nnc1N1CCC[C@@H](CC(N)=O)C1 1359328584 IZPMDEOQLPYIFL-INIZCTEOSA-N 457.556 2.384 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCC(N2CCCC2=O)CC1 1359332909 KDRDTSWPOIXJLG-UHFFFAOYSA-N 493.580 2.339 30 10 JEEE CC(C)C(=O)NCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1359637812 BJULDRLHXFMISA-HXUWFJFHSA-N 488.552 2.147 30 10 JEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CSC[C@H]1C(=O)N1CCSCC1 1464546278 UKACZNDCLNBBFA-KBPBESRZSA-N 450.026 2.499 30 10 JEEE CC(C)CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 1464689956 AEKHPUIERSSVLC-OAQYLSRUSA-N 450.543 2.232 30 10 JEEE C=C[C@@H]1OCCC[C@H]1NC(=O)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1470238180 GGCYRKLTVUXHHX-WTGUMLROSA-N 477.606 2.297 30 10 JEEE C#CCCCn1c(N2CCN(C(=O)Cc3ccccc3F)CC2)nnc1[C@]1(OCC)CCOC1 1507598654 GVIQJEYMKVUUQX-VWLOTQADSA-N 469.561 2.374 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(Cl)nc1)[C@H]1CCS(=O)(=O)C1 1507624812 DRYAXYPWGXKBRN-AVRDEDQJSA-N 494.017 2.042 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1Cc1nccs1)[C@@H]1CCS(=O)(=O)C1 1507633139 BQSFPEAQOFFVRA-QGZVFWFLSA-N 457.581 2.009 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cnccc1OC 1507700681 ULQGBYJOQHWESE-MRXNPFEDSA-N 472.546 2.119 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@](C)(O)C(C)C 1507711554 WTPVNEWAHXCNCE-WZONZLPQSA-N 465.595 2.080 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)NCc2ccc(F)cc2)CC1 1507843177 JSJAFGUQEZMRAY-NRFANRHFSA-N 484.576 2.494 30 10 JEEE C=CCCOCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCN(S(C)(=O)=O)CC1 1507964758 GTFVTMAITXKCHK-UHFFFAOYSA-N 458.588 2.025 30 10 JEEE C=CCN(C)c1nnc(COc2ccc(Br)cc2)n1CC1(O)CCS(=O)(=O)CC1 1507985626 KMMASIBGUJRDIN-UHFFFAOYSA-N 485.404 2.182 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c(-c2cnccn2)nnc1N1CCN2C(=O)OC[C@]2(C)C1)C(C)C 1508012796 JJKHYNFTOQUVSV-RDPSFJRHSA-N 466.590 2.465 30 10 JEEE CC(C)NC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1509755266 FCNFAQRIKYIMQG-KRWDZBQOSA-N 494.003 2.424 30 10 JEEE CC(C)C(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1510216016 ABWTZYVLXXEFJK-KRWDZBQOSA-N 474.635 2.164 30 10 JEEE C[C@@]1(C#N)CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2nccc(C(F)F)n2)C1 1510289124 BVQQQVGRIZZBNJ-DJJJIMSYSA-N 451.503 2.086 30 10 JEEE C[C@@]1(C#N)CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCN2CCCCCC2=O)C1 1510290459 HLEYRNWQHMOKLW-AVRDEDQJSA-N 462.620 2.103 30 10 JEEE C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C[C@@H]1C 1512331003 DLBSSKXKVNYBRX-WSTZPKSXSA-N 472.615 2.493 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(C(C)C)CC2)c1 1539038471 PKLVYBDTLJZAQM-KRWDZBQOSA-N 472.615 2.381 30 10 JEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](OCCC)CC1 1539072327 PKJLXXXHWRUYPW-UXHICEINSA-N 467.636 2.200 30 10 JEEE C#CCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1539109093 ICLXSPLXALYKDT-UHFFFAOYSA-N 473.599 2.380 30 10 JEEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1[C@@H]1C[C@H]1C(C)C)[C@@H]1CCS(=O)(=O)C1 1539205687 JGJOJDJCCZJVNJ-VQQMMKBISA-N 450.605 2.162 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 1539317714 GNOJNCIDEDPURT-RTBURBONSA-N 454.575 2.339 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCc2nccn2C1 1539385025 UOJLBKFHXGIKOF-HKUYNNGSSA-N 485.589 2.126 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3ccc4ccccc43)n2C[C@@H](F)COC)CC1 1539489094 QMZACLBGKZPAPQ-HXUWFJFHSA-N 452.534 2.231 30 10 JEEE C#CCSCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCN(C)C(=O)[C@@H]1C 1539510656 LSQCJLQXERASND-KRWDZBQOSA-N 479.610 2.269 30 10 JEEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1539532661 CAZFRYDCWNIQDY-UYAOXDASSA-N 497.669 2.384 30 10 JEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1csc(CC)n1 1540004661 DHTOFKQCZSJZBY-MRXNPFEDSA-N 454.622 2.233 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCN(c2ncccn2)CC1 1540866371 LDICAVDAIQPIPP-UHFFFAOYSA-N 492.584 2.160 30 10 JEEE C=CCOc1ccc(Cn2c(Cc3ccccn3)nnc2N2CCC(NS(C)(=O)=O)CC2)cc1 1540878549 AHZCJLIZWRAJMO-UHFFFAOYSA-N 482.610 2.395 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCC[C@H](CC(N)=O)C1 1540901464 DXKUQSFMFIDLBE-QGZVFWFLSA-N 470.599 2.129 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1541664543 HVKGIAWCBPOLKG-BWKNWUBXSA-N 465.602 2.161 30 10 JEEE CCS(=O)(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H](C(C)C)N1CCOCC1 1548307616 BFLOMAKWWOPWHW-NRFANRHFSA-N 474.631 2.044 30 10 JEEE N#Cc1ccc(N2CCC([C@@H]3CN(C(=O)c4ccncn4)C[C@H]3C(N)=O)CC2)cc1C(F)(F)F 1548386058 DZBHZJKPMQDPDR-ZWKOTPCHSA-N 472.471 2.457 30 10 JEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@@H](OCc2ccncc2)C1 1556178686 AYQHFLXELACCBW-QUCCMNQESA-N 456.568 2.497 30 10 JEEE C[C@@H](O)C[C@H](CNC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)c1ccccc1 1564307484 DVQQIPVDOXVIDI-WIYYLYMNSA-N 456.568 2.129 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC[C@@H](C(F)F)N1CCOCC1 1587621193 PKEFPOVWQBBQPW-LPHOPBHVSA-N 485.539 2.006 30 10 JEEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCCN(Cc2nc([C@@H](C)OC)no2)CC1 1587697260 LOGSOGDWUGULCZ-LJQANCHMSA-N 484.605 2.120 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1CC[S@@](=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1588069265 KQWCUYILFWYWKE-PSTIOWGYSA-N 492.667 2.339 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1(COC)CCOCC1 1588124849 UIVRNQKGFNORCE-UHFFFAOYSA-N 474.565 2.191 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@@H](COC)OC)CC1 1588768253 COJXWZIFSKDXTF-SFHVURJKSA-N 462.392 2.433 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC(NC(=O)NC2CCCCC2)CC1 1595545391 XDMNJWBNDZTKCP-HXUWFJFHSA-N 473.622 2.423 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1595831931 ZPMOSFYHCTXDPG-ROUUACIJSA-N 463.579 2.270 30 10 JEEE CC(=O)N[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2nnc(C)s2)C1 1596463489 APDZAECYJXFVID-KRWDZBQOSA-N 452.544 2.042 30 10 JEEE C=CCn1c(COc2ccccc2)nnc1SCC(=O)N(CC)[C@@H]1CCS(=O)(=O)C1 1613589729 FLFJCTIWQCAIMQ-MRXNPFEDSA-N 450.586 2.171 30 10 JEEE N#Cc1ccc(-c2nnc(N3CCCN(CC(F)(F)F)CC3)n2C[C@H]2COCCO2)cc1 1620350252 GLBKXXXBOMTNEN-SFHVURJKSA-N 450.465 2.307 30 10 JEEE C#CCOc1ccc(CNS(=O)(=O)[C@@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2OC)cc1 1622151959 KAVZIHIEWJWUEJ-FCHUYYIVSA-N 458.536 2.154 30 10 JEEE CCC[C@@H](C)C(=O)NCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@](F)(C#N)C1 1649622174 CWWUBDYXCIWBPV-OPAMFIHVSA-N 476.578 2.343 30 10 JEEE C#C[C@H](NC(=O)N(CC)[C@H](C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)[C@@H]1CCCO1 1681811986 GOEAMRNQZNBAOU-QYZOEREBSA-N 450.580 2.057 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@H](C)c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1689978502 WWPUIWCSUJAHNG-PXNSSMCTSA-N 496.568 2.495 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1[C@H]1C[C@H](c2cccc(Cl)c2)C1 1690019843 SOSJTNAUNWYZLM-HMXCVIKNSA-N 488.013 2.456 30 10 JEEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2CCCN2C[C@@H](C)O[C@H](C)C2)CC1 1690130823 NIIFZMXRJHZZQO-DHIUTWEWSA-N 450.631 2.318 30 10 JEEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1690132268 NJTRNUHMYGGLLF-HSZRJFAPSA-N 464.614 2.488 30 10 JEEE C#CCSCCn1c(Cc2ccccc2C)nnc1N1CCC(NS(=O)(=O)CC)CC1 1690177533 YNTXQBQGUIGJQZ-UHFFFAOYSA-N 461.657 2.452 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CN(C)C(C)C)CC1 1690312858 DYZYLLHKJKYCDM-HXUWFJFHSA-N 453.653 2.330 30 10 JEEE C=CCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1690630939 AFRPABSPDGWUCO-GOSISDBHSA-N 451.980 2.415 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 1690655433 UWQIPEXBBLRKSO-SFHVURJKSA-N 476.940 2.187 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1690722992 DLBPQFUIXURMOH-APWZRJJASA-N 457.556 2.408 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@H](C)N(CC)CC)c1 1705504179 OXNQCXQAUQGNAJ-IBGZPJMESA-N 465.602 2.301 30 10 JEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1cccc(CSC)c1)[C@@H]1CCS(=O)(=O)C1 1705558946 MPNUVUQWNOCGDJ-HXUWFJFHSA-N 487.651 2.052 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CCCCN1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1705569238 FGLIBDRNSNMXPL-JTHBVZDNSA-N 484.670 2.403 30 10 JEEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1CCSCC=C)[C@@H]1CCS(=O)(=O)C1 1705570073 MFRKONXNZMHLSA-LJQANCHMSA-N 470.624 2.063 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1Cc1sc(C)nc1C)[C@H]1CCS(=O)(=O)C1 1705570859 UOTZGVNZMIIYCF-KRWDZBQOSA-N 476.653 2.382 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1CCOCC1 1705628209 AFNLTKOAJGJHGV-IBGZPJMESA-N 463.579 2.099 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(OCC=C)cc2)CC1 1705649460 YOQMQGPPXJGAHL-UHFFFAOYSA-N 459.554 2.258 30 10 JEEE C#CCSCCn1c(N2CCN(Cc3nc(C)c(C)o3)CC2)nnc1[C@]1(OCC)CCOC1 1705665118 KCMVNEHKVBSGCA-QHCPKHFHSA-N 474.631 2.224 30 10 JEEE C=C(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1705720226 FYLICPZBILWVJX-IBGZPJMESA-N 459.639 2.296 30 10 JEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCc1ccccc1F 1705819686 RQMNRSJRWZZDCA-LJQANCHMSA-N 451.568 2.395 30 10 JEEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 1705825073 IUFDOPUPOOCRDC-QGZVFWFLSA-N 450.584 2.455 30 10 JEEE C=CCCOCCn1c(Cc2ccsc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1705832238 RAMADWZKFDBGMA-HXUWFJFHSA-N 458.632 2.266 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(C)n(C)c1=O 1705858991 DDZQPEPPUGLHDS-GOSISDBHSA-N 470.599 2.136 30 10 JEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1705906288 YYYAKYJZWSRRPC-MRXNPFEDSA-N 456.576 2.087 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCCC[C@H](SC)C2)nnc1[C@@]1(OCC)CCOC1 1705938817 JYVVEFXQEGLFGC-FXAWDEMLSA-N 458.650 2.253 30 10 JEEE C#CCN(c1nnc(-c2ccccc2F)n1CCC(=O)N[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1722361073 FJQUFXOCHVLAHD-IAGOWNOFSA-N 461.563 2.016 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1Cc1ccc(N2CCC(CO)CC2)cc1 1722393842 IWYBJBOHLAKVPY-UHFFFAOYSA-N 455.566 2.455 30 10 JEEE C#CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1cccc(CO)c1 1722422302 QEHJNYKGBNWQFJ-UHFFFAOYSA-N 482.610 2.173 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1NC(=O)CC1(C)C 1722429691 VKPGIAQGPIUZGM-MOPGFXCFSA-N 488.633 2.393 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC(=O)NC(C)C)CC1 1722444035 DIUYSXFBHOSYHD-KRWDZBQOSA-N 470.549 2.048 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC(C)(COC)CC1 1722696990 GHNBPLOGWUCRDA-UHFFFAOYSA-N 479.585 2.230 30 10 JEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](c2cccc(OC)c2)C1 1722702826 RPZKZELPOYRHBQ-OAQYLSRUSA-N 465.558 2.028 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1722727685 KOFUOYMNTULCHX-UHFFFAOYSA-N 458.510 2.449 30 10 JEEE CC(C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC[C@@H](O)C2)CC1 1723652045 FGENXUHFAJPNNO-RBBKRZOGSA-N 465.602 2.014 30 10 JEEE Cc1nc(C[C@@H]2CCCN(c3nnc(-c4cccc(C#N)c4)n3CC(=O)NCC(F)F)C2)no1 1725434698 GSHVVSTVWSKIIX-INIZCTEOSA-N 470.484 2.349 30 10 JEEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(C(N)=O)CCOCC2)CCN1CC(F)(F)F 1726662590 HSQWQIBJSLRKGG-INIZCTEOSA-N 491.518 2.172 30 10 JEEE CN(Cc1ccc(C#N)cc1)c1nnc(CN2CCCC2=O)n1CC1(S(C)(=O)=O)CCCC1 1729396280 BOMZHPRELMPSNJ-UHFFFAOYSA-N 470.599 2.266 30 10 JEEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@](C)(O)c2ccsc2)CC1 1730798895 HMHONIJDSPVOND-XMMPIXPASA-N 482.610 2.466 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(CN2CCC(O)CC2)cc1 1740531068 DVPIWZKNRXLNNB-IBGZPJMESA-N 473.581 2.388 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1OCC(F)(F)F 1740532346 DSAIHFCKZPLQQN-KBPBESRZSA-N 459.494 2.336 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CCNC(=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1740618763 BPYXJNCBLCAAAA-SFHVURJKSA-N 478.018 2.388 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC1(O)CCOCC1 1740669314 VLLGHOCJYJDKAZ-UHFFFAOYSA-N 450.543 2.066 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CCN(S(C)(=O)=O)C1 1740735317 MOIDQFAKMZUWNY-RTXPOLOASA-N 463.648 2.470 30 10 JEEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CCc2ccccc2)CC1 1740801898 HEGOHQGEOZNCTA-QGZVFWFLSA-N 453.012 2.006 30 10 JEEE C=CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)NC[C@H]2C1 1740863030 MDSPCMITVQEMKD-ZWKOTPCHSA-N 475.594 2.157 30 10 JEEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 1740863702 DJVRSPVOAMGIPU-SJLPKXTDSA-N 481.644 2.381 30 10 JEEE C=CCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC(C(N)=O)CC1 1740880059 VMJOOYDFZXTBNB-UHFFFAOYSA-N 451.619 2.311 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccccn2)n1CC(=O)N1CCOCC1 1740920422 MTCZBLNLXSOXRH-UHFFFAOYSA-N 450.518 2.454 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2C[C@@H](OC)C(C)(C)C2)cc1 1740966406 SKTBMSPHEALGFU-VQIMIIECSA-N 463.604 2.363 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCCC(=O)N(C)C)C1 1740980729 MGAZQBFJXOHOEY-OALUTQOASA-N 492.621 2.236 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCOC2CCCCCC2)C1 1740981419 OSHHMVBKGODUJO-NHCUHLMSSA-N 497.662 2.132 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@@H](C(C)(C)C)C1 1740984965 AAIQFLMVHPQIAL-QGZVFWFLSA-N 455.625 2.049 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 1740985274 FLJMTALBSYTZLR-HNNXBMFYSA-N 451.553 2.339 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCCC2 1740989953 CYVXGFWCJDABOF-RBUKOAKNSA-N 462.620 2.453 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1740990358 RQMXYXQLDBNXTM-SFHVURJKSA-N 455.588 2.052 30 10 JEEE CC(C)NC(=O)Cn1c(CCc2ccccc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1741702710 FYUHSVJQLMIYNV-UHFFFAOYSA-N 458.570 2.181 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc(CN2CCCC2=O)n1Cc1ccccc1CN1CCOCC1 1741804534 FAIOXBCRUGGEAX-IBGZPJMESA-N 451.575 2.019 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2Cl)n1CCCNC(C)=O)[C@H]1CCS(=O)(=O)C1 1748808129 IJLWZJMWOCCTKW-INIZCTEOSA-N 484.409 2.405 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCC1CCN(CC)CC1)[C@@H]1CCS(=O)(=O)C1 1748816312 YTXCIRIFEBKOMG-OAQYLSRUSA-N 470.643 2.397 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1cnn(C)c1C 1748886619 JILBATZWUGPJMY-UHFFFAOYSA-N 454.538 2.228 30 10 JEEE C=CC1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCN2CCOC[C@H]2C)CC1 1749331185 DHYIARJJTCYWRA-LJQANCHMSA-N 488.658 2.319 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCC(F)(F)CC1 1749599279 AERWFUBPYJXJMN-QGZVFWFLSA-N 477.578 2.075 30 10 JEEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCOC[C@H]2CCCO2)[C@@H](C)C1 1749877555 ULMYUKDPCCETKM-WMZHIEFXSA-N 482.585 2.371 30 10 JEEE CS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C[C@H]2CCOC2)C1 1750215931 HQOIVOQGJIIXDH-RBUKOAKNSA-N 458.588 2.009 30 10 JEEE C#CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1760135321 RGPCVNVINNTOPA-QZTJIDSGSA-N 460.604 2.282 30 10 JEEE C#CCN(C)c1nnc(Cc2ccccn2)n1C[C@@H]1C[C@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1760175107 WCPSIBONGIISCT-YSIASYRMSA-N 452.559 2.358 30 10 JEEE C#CCN(c1nnc(-c2ccc3ccccc3n2)n1CCC(=O)N[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1760185023 NTHHPTYIILYLHH-UYAOXDASSA-N 494.621 2.425 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@H]1CC(F)(F)CO1)[C@H]1CCS(=O)(=O)C1 1760185530 YVESVWCOSUXXFE-DLBZAZTESA-N 450.511 2.304 30 10 JEEE C#CCN(c1nnc([C@@H]2COc3ccccc3O2)n1CCCOC(F)F)[C@H]1CCS(=O)(=O)C1 1760186653 PVKJYHRDRWIJOE-YJBOKZPZSA-N 482.509 2.047 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@@H]1CCC[C@H](O)C1)[C@@H]1CCS(=O)(=O)C1 1760187912 YSSIAYHQORRWMN-FCEUIQTBSA-N 456.612 2.355 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@@H]1CCC[C@@H](O)C1)[C@H]1CCS(=O)(=O)C1 1760192606 WFDIBACTHIWUBG-QHAWAJNXSA-N 472.611 2.343 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1CC[C@]2(CCOC2)O1 1760245284 YITLWSMWAIAKFH-YADARESESA-N 456.543 2.386 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCOCc2ccc(OC)cc2)CC1 1760268264 GQHXBZPIGIFEDV-UHFFFAOYSA-N 462.554 2.464 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2Cc2cc(F)cc(OC)c2)CC1 1760271965 TTZJVTOBWYHJPG-UHFFFAOYSA-N 462.529 2.426 30 10 JEEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1760285906 URWMAXWFRXTGBJ-HXUWFJFHSA-N 452.584 2.400 30 10 JEEE C#CCSCCn1c(N2C[C@H](C)O[C@@]3(CCCOC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1760286803 VWPZRIZAZTWRRN-VJBMBRPKSA-N 464.632 2.459 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCC(C)C 1760321988 MOZBPUMFFXLCCF-OTWHNJEPSA-N 455.625 2.075 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(Br)o1 1760346345 UNKHNOGQVSJGLA-AWEZNQCLSA-N 474.381 2.179 30 10 JEEE C=CCC(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(CC(=O)N(C)C)CC1 1760415427 YTPBOTPHFPKWSZ-UHFFFAOYSA-N 473.647 2.082 30 10 JEEE C=CCCOCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1760447312 IASUCELMCRQEPL-GOSISDBHSA-N 494.390 2.260 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1760528044 QGTUNMPGXSUIPW-QGZVFWFLSA-N 467.530 2.243 30 10 JEEE C=CCNC(=O)Cn1c(N2CCN(c3ccc(C)c(C)c3)CC2)nnc1[C@@]1(OCC)CCOC1 1760528362 AMSDCWVYERSMEQ-RUZDIDTESA-N 468.602 2.176 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](COC(C)C)C1 1760528616 IBWXJIMYSAYUHS-MOPGFXCFSA-N 492.621 2.283 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1760532973 KQHOBUSORWWOCO-ICSRJNTNSA-N 452.559 2.195 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC(=O)N2CCOCC2)C1 1760537302 MQURNDPJYNQGIM-ZWKOTPCHSA-N 459.522 2.197 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1760551946 XQJBICCJALOXNF-CALCHBBNSA-N 483.038 2.140 30 10 JEEE CCN(C)C(=O)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCO[C@H](C#N)C1 1766385891 FHUFACWWPNMECE-CQSZACIVSA-N 453.330 2.371 30 10 JEEE CCCCCCCCNC(=O)[C@H](CC(N)=O)NC(=O)c1ccc(=O)n(Cc2ccccc2)c1 1861247232 WKUSNUSQTCVRBG-NRFANRHFSA-N 454.571 2.347 30 10 JEEE N#C[C@@H](c1cccs1)N1CCC(C(=O)N[C@H](CO)C(=O)Nc2ccc3nc[nH]c3c2)CC1 1866866440 HMNMSSNVJJBYKM-MOPGFXCFSA-N 452.540 2.017 30 10 JEEE COc1ccc(-n2nnc(C#N)c2NC(=O)CCCN2C(=O)c3ccccc3C2=O)cc1OC 1870144332 YGBDWJRUISKPJC-UHFFFAOYSA-N 460.450 2.171 30 10 JEEE COc1ccc(N2C[C@@H](c3nnc(SCC(N)=O)n3/N=C/c3ccc(N(C)C)cc3)CC2=O)cc1 1874199287 KGIZREOKNIMLDD-ROCQKPIASA-N 493.593 2.333 30 10 JEEE CC(C)N1C(=O)CS[C@H](C(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)[C@@H]1c1ccc(C#N)cc1 1890751712 AQDRDGVMPQSMQY-PUHATCMVSA-N 484.622 2.049 30 10 JEEE CC(C)N1C(=O)CS[C@@H](C(=O)NCC2CCN(C(=O)N(C)C)CC2)[C@H]1c1ccc(C#N)cc1 1890799073 LYNYWKKRBQPQCU-FGZHOGPDSA-N 471.627 2.462 30 10 JEEE CCN=c1nc2[nH]nc(SCC(=O)C=C3N(C)c4ccccc4C3(C)C)n2c(=NCC)[nH]1 2040425376 VGJYKIZVLJWWQK-UHFFFAOYSA-N 452.588 2.199 30 10 JEEE C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC(O)(C2CCN(C(=O)C(F)(F)F)CC2)C1 2124145812 KKQIQLNRZJUDLE-OAHLLOKOSA-N 463.497 2.220 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCOC[C@H]1CC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2180985632 RRQCYHFEUFMEPO-GDBMZVCRSA-N 462.356 2.034 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H]1NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2247954115 YIADIKVBUJRPEL-OLZOCXBDSA-N 458.411 2.239 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)[C@@H](CO)C2)C1 2255203053 MAFCFKKPYJFGLL-YOPALGQTSA-N 451.564 2.027 30 10 JEEE C[C@H](O)CN(CCNC(=O)OC(C)(C)C)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2257643339 RZDKJQMCFZADQA-AWEZNQCLSA-N 454.398 2.395 30 10 JEEE CCO[C@@H]1C[C@H](NC(=O)OC(C)(C)C)[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2267158072 GCMOPKVCCJMUQY-BJJXKVORSA-N 467.397 2.243 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1CC[S@](=O)(=NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2267292332 BISGNDZIOFJXMO-BAJJSZBSSA-N 467.397 2.467 30 10 JEEE CC1(C)OB(c2cscc2S(=O)(=O)N2CCC[C@H](CNC(=O)C(F)(F)F)C2)OC1(C)C 2267471829 KJXUQUBKQGBAIZ-GFCCVEGCSA-N 482.355 2.127 30 10 JEEE C=C(CS(=O)(=O)N1CC[C@@H]2OCCN(Cc3ccccc3)[C@@H]2C1)B1OC(C)(C)C(C)(C)O1 2267723655 XKGLUZVZTGBUGL-RTWAWAEBSA-N 462.421 2.479 30 10 JEEE COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1NC(=O)[C@@H](O)[C@H](C)NC(=O)OC(C)(C)C 2268654168 VXKLQXOTOOSVEH-GUYCJALGSA-N 450.341 2.207 30 10 JEEE Cc1ccc(CNS(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)cc1B1OC(C)(C)C(C)(C)O1 2278723185 NPKPFEHZOOCJCO-UHFFFAOYSA-N 498.410 2.400 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)c(F)c2)[C@@H](O)C1 2281757024 BVAQPPQAGNQWHM-YJBOKZPZSA-N 464.343 2.083 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1COC[C@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1F 2281775551 HGPBHPMFMCPNHL-KBXCAEBGSA-N 464.343 2.394 30 10 JEEE CC(C)(C)OC(=O)N1[C@H](CNC(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)C[C@H]2COC[C@@H]21 2281825422 SEEAIIOONMMKII-XIRDDKMYSA-N 462.352 2.333 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@@H]([S@](C)(=O)=NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2281984537 DAPBJGJRPVKPEF-GSLRCMBYSA-N 482.412 2.346 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC2CC(F)(CNC(=O)OC(C)(C)C)C2)n1 2281993555 CWCSFFQDEJAOMR-UHFFFAOYSA-N 466.363 2.327 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H](NC(=O)OC(C)(C)C)C3(CC3)C2)n1 2281995989 JRWSERQYYWYYKE-MRXNPFEDSA-N 460.384 2.332 30 10 JEEE CC(C)CN(C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1)C1CN(C(=O)OC(C)(C)C)C1 2282044025 QTOPIIYVSZOWHY-UHFFFAOYSA-N 462.400 2.437 30 10 JEEE Cn1cc(C(=O)NCCCCC2CN(C(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2282049071 UCFHVGCXWDYYHV-UHFFFAOYSA-N 462.400 2.486 30 10 JEEE Cn1nc(C(=O)N(CCNC(=O)OC(C)(C)C)CC(F)(F)F)cc1B1OC(C)(C)C(C)(C)O1 2282051183 GOWLQUGTRFHELF-UHFFFAOYSA-N 476.305 2.249 30 10 JEEE C[C@H]1CCN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1NC(=O)C(F)(F)F 2282496444 AXLXFRBOEOLMAS-JSGCOSHPSA-N 496.382 2.266 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](C2(NC(=O)c3ncc(B4OC(C)(C)C(C)(C)O4)cn3)CC2)C1 2282629294 UCDLLJBDTCUADR-OAHLLOKOSA-N 458.368 2.295 30 10 JEEE Cc1ccc(C(=O)N2C[C@@H](O)C[C@@H]2CNC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2282688043 OKWYNRQGNOQBCJ-MSOLQXFVSA-N 460.380 2.394 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CCN(C(=O)c3ncncc3B3OC(C)(C)C(C)(C)O3)C[C@@H]2C1 2282705739 BNNLXMWIIYJEBF-JKSUJKDBSA-N 458.368 2.105 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1CCc2ccc(B3OC(C)(C)C(C)(C)O3)cc21 2283946717 QRTZLGWHVIYZDW-IEBWSBKVSA-N 458.364 2.245 30 10 JEEE CN(Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 2284063309 MOEUSBSPMNKZIH-DEOSSOPVSA-N 460.380 2.316 30 10 JEEE CC1(C)OB(c2ccsc2S(=O)(=O)N[C@]2(C(=O)O)CCN(Cc3ccccc3)C2)OC1(C)C 2284401086 DNIAPQJMVNJMJW-JOCHJYFZSA-N 492.428 2.055 30 10 JEEE CC1(C)OB(c2ccc(C(=O)N[C@@]3(C(=O)O)CCN(Cc4ccccc4)C3)cc2)OC1(C)C 2284434953 GTKPGOSCJCEXEA-VWLOTQADSA-N 450.344 2.445 30 10 JEEE CC1(C)OB(c2cc(C(=O)NCCN(CC(=O)O)Cc3ccccc3)ccc2F)OC1(C)C 2284471415 PMEDOOMISINEDJ-UHFFFAOYSA-N 456.323 2.442 30 10 JEEE C[C@H]1CN(C(=O)c2occc2B2OC(C)(C)C(C)(C)O2)CC2(CN(C(=O)OC(C)(C)C)C2)O1 2288587042 YJMOKNHXWSFQIL-HNNXBMFYSA-N 462.352 2.429 30 10 JEEE COC[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)N(C(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2289504859 BNOQKYVHMPYHFF-HUUCEWRRSA-N 481.424 2.444 30 10 JEEE C[C@]12CC[C@H]3[C@H](CC[C@]4(O)C[C@H](O)CC[C@]34C=NN3CCOCC3)[C@]1(O)CC[C@H]2C1=CC(=O)OC1 2297639204 CERLQMOZFXRTGG-BGGLTWRDSA-N 488.625 2.017 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2362344893 XWJMGKBAZHRMNS-CVEARBPZSA-N 460.384 2.191 30 10 JEEE CO[C@@H](CNC(=O)OC(C)(C)C)CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1C 2365423082 CCGOXFUZUCZVFR-KRWDZBQOSA-N 484.424 2.112 30 10 JEEE C=CCN1C(=O)N[C@@H](c2ccccc2)C(C(=O)OCC)=C1CN1CCN(C(=O)NC(C)C)CC1 36017440 ANNPXBIRMFRXIC-QFIPXVFZSA-N 469.586 2.492 30 10 JEEE COc1cc(/C=N/Nc2nc(SCCC(=O)Nc3nncs3)n[nH]2)cc(OC)c1OC 59830850 AXEYFBSSEUUQGG-QGMBQPNBSA-N 464.533 2.249 30 10 JEEE N#Cc1cccnc1N1CCCN(C(=O)Cn2cnc3ccc(Br)cc3c2=O)CC1 108857656 ZBIHRKQYSBRZHL-UHFFFAOYSA-N 467.327 2.165 30 10 JEEE COC(=O)c1ccc(O)c(C=NN(CCC(=O)NC(C)(C)C)C2=NS(=O)(=O)c3ccccc32)c1 254747085 RSJXDYAYPDHBIW-UHFFFAOYSA-N 486.550 2.269 30 10 JEEE CO[C@@H]1[C@H](C)O[C@H](OC[C@@]23C[C@H]4[C@H](CC[C@H]4C)[C@@]4(C=O)C[C@H]2C=C(C(C)C)[C@]43C(=O)O)[C@@H](O)[C@H]1O 255992033 OGGVRVMISBQNMQ-QBUFWOTMSA-N 492.609 2.409 30 10 JEEE C#CCn1ccc(CN(CCOC)C(=O)Nc2cc3n(n2)CCN(C(=O)OC(C)(C)C)C3)n1 1209685714 QNOMEWRQDKWQMT-UHFFFAOYSA-N 457.535 2.144 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(-n2ccnc2C)c(F)c1 1286275472 SHAKPMQRWFETAC-CABCVRRESA-N 459.551 2.028 30 10 JEEE C#CCCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CC(=O)N(C)C[C@@H]1C 1286334073 RAYZCMNYNVIWLM-QFIPXVFZSA-N 463.630 2.113 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1c(Cl)cccc1OC)[C@@H]1CCS(=O)(=O)C1 1286389369 IPZVGPYBGMGSCY-MRXNPFEDSA-N 474.974 2.016 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1cccc(C(N)=O)c1 1286408218 AMEZNHFXUCHNQJ-OAQYLSRUSA-N 492.580 2.001 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCNC(=O)C(C)C 1286419459 XVXVDUMOIWEGLN-UHFFFAOYSA-N 454.962 2.097 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCC(CN2C[C@H](C)O[C@H](C)C2)CC1 1286786517 FVUIBMUXRYHNJY-BGYRXZFFSA-N 467.618 2.276 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCc2c(ccnc2O)C1 1286817354 TWHGHGNAFGZXSZ-UHFFFAOYSA-N 460.947 2.258 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2OC)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1286822555 FRKMUZOKIUCDOK-VSOVRNOCSA-N 476.599 2.064 30 10 JEEE CC(=O)N(C)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCNC(=O)C2CCC2)CC1 1286844023 JXZXZYQZUJJCAB-UHFFFAOYSA-N 493.612 2.482 30 10 JEEE CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H](C)CC#N)N1CCc2ccccc2C1 1292169842 BCTKJAJNTNNIDA-BBTUJRGHSA-N 473.647 2.464 30 10 JEEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1297777609 ABELLHQRLBAKJB-SFHVURJKSA-N 487.611 2.099 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cn4ccccc4n3)n2CC(=O)NC(C)C)c1 1300334857 WHYIJGAYBUPNBT-UHFFFAOYSA-N 484.564 2.097 30 10 JEEE C#CCCCn1c(-c2cccn2C)nnc1N1C[C@@H](C(=O)OC)[C@H](CNC(=O)OC(C)(C)C)C1 1300401155 OKPCNJVYRAPBOI-QZTJIDSGSA-N 470.574 2.447 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(Br)cc2Cl)n1CCS(=O)(=O)NC 1300563914 PMHLORXGSMVHSG-UHFFFAOYSA-N 484.807 2.373 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ncccc1C 1300672372 ZTFMPGYYTQOIMP-FQEVSTJZSA-N 470.574 2.424 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C)c2ncc(C)s2)CC1 1300682722 PSIGNVKYLQZXJV-MRXNPFEDSA-N 450.572 2.249 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCOc2ccc(Cl)cn2)CC1 1300685966 VRJDYPWPOSAELZ-QHCPKHFHSA-N 474.993 2.201 30 10 JEEE C#CCN1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2CCS(=O)(=O)C(C)(C)C)CC1 1300703576 LIPYNFFCTWYSGN-UHFFFAOYSA-N 468.627 2.319 30 10 JEEE C#CCSCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1300763443 WEGLMRIRYDVQDR-SFHVURJKSA-N 490.630 2.400 30 10 JEEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1300766256 XYSYQVJVDSZTAJ-OFNKIYASSA-N 496.681 2.233 30 10 JEEE C#CCSCCn1c(N2C[C@H](C)OC3(CCOCC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1300776187 FZRQXINLOOKQOQ-CVDCTZTESA-N 464.632 2.459 30 10 JEEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 1300823291 BOSOUKASGYTAOL-GOSISDBHSA-N 477.407 2.181 30 10 JEEE C=C(Cl)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1301029105 HNCJRLGGTFUXFH-UHFFFAOYSA-N 474.993 2.459 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1301151776 RDWROGYCBQIQCB-CVEARBPZSA-N 450.565 2.052 30 10 JEEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(N(C)C)CCOCC2)C[C@@H](C)O1 1301372634 GJJJDDQMIIHMDV-NQIIRXRSSA-N 454.575 2.168 30 10 JEEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCO[C@@H](c2nccs2)C1 1301508668 PZAFXZVOLRFIJE-LJQANCHMSA-N 468.583 2.409 30 10 JEEE CC(C)(C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1302211826 FZEBLGXEZYPCJB-SFHVURJKSA-N 458.588 2.135 30 10 JEEE CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1306714375 GPGJPRNGEYLYJP-NRFANRHFSA-N 451.575 2.272 30 10 JEEE CS(=O)(=O)NC[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCSC2)C1 1316359849 FSZVLNOODFOBJH-RBUKOAKNSA-N 490.655 2.247 30 10 JEEE CSC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCS(=O)CC2)CCOCC1 1316409768 HYTGCFIZBDXTHT-UHFFFAOYSA-N 461.613 2.210 30 10 JEEE Cc1nc(C#N)c(N2CCC(C(=O)NC3CCN(CC(=O)Nc4ccccc4)CC3)CC2)o1 1352545035 BLEOTIPFRDWFEO-UHFFFAOYSA-N 450.543 2.290 30 10 JEEE C#CCN(c1nnc(-c2ccccc2)n1CCCNC(=O)c1occc1C)[C@H]1CCS(=O)(=O)C1 1358959728 OSEZTECHCFYAKJ-FQEVSTJZSA-N 481.578 2.293 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1CC1(O)CCN(C(C)C)CC1 1359019630 APOXUJGSTQFZOT-UHFFFAOYSA-N 479.423 2.357 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN1CCC[C@H](C)C1 1359023478 LWPUVCROOUONOR-IBGZPJMESA-N 463.586 2.010 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 1359024082 DXZGKGZIURKJCD-PKTZIBPZSA-N 453.587 2.159 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1359031345 YQAGZFZNPFEEKX-SFHVURJKSA-N 488.434 2.060 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccc(C)cc1)N(C)C 1359064341 QNIPGBNANSNNBB-GREBRCKQSA-N 458.632 2.492 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(N2CCSCC2)CCCC1 1359064661 XVQCOOOFMVGMPJ-WIYYLYMNSA-N 480.704 2.242 30 10 JEEE C=C(C)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1359118079 NWRVUCADMAXLMC-UHFFFAOYSA-N 491.365 2.350 30 10 JEEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C1CCN(C(=O)c2ccccc2)CC1 1359121956 PRJSQQMHAQBEJS-LJQANCHMSA-N 457.600 2.497 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@H](c2ccccc2F)C1 1359291414 PIPLBMFMYRRKKW-IBGZPJMESA-N 458.538 2.216 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC(C)(OC)C1 1359332315 UVNNXOWAKFIAGT-QGZVFWFLSA-N 483.635 2.219 30 10 JEEE COc1ccc(Cl)cc1N1C[C@@H](C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)CC1=O 1435550339 CBDYPSAILVTQOL-CABCVRRESA-N 454.918 2.100 30 10 JEEE CC[C@@H](C)[C@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)C(=O)NCC(C)(C)C#N 1466792116 CCGJGYUIBWYOCX-DYVFJYSZSA-N 456.996 2.401 30 10 JEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCCC[C@H]2c2nnc(C3CCOCC3)o2)c1 1467872554 FRQBLSKKKBIIMR-IBGZPJMESA-N 458.540 2.243 30 10 JEEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1Cc1cccc(CS(C)(=O)=O)c1 1507541067 FPQBSQWOVZHEJI-INIZCTEOSA-N 471.608 2.320 30 10 JEEE C#CCN(c1nnc(-c2cc3ccccc3o2)n1CC[S@@](=O)CC)[C@H]1CCS(=O)(=O)C1 1507630014 YELHPTHIMXRWIE-ZOKDDAQRSA-N 460.581 2.087 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCc1csc(C)n1)[C@H]1CCS(=O)(=O)C1 1507632291 YLZIFTWJLFXNCY-SFHVURJKSA-N 456.597 2.283 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1CCCc1ccnc(C(C)(C)C)n1)[C@H]1CCS(=O)(=O)C1 1507632942 QWIZMRYZCUNWOT-ICSRJNTNSA-N 486.642 2.129 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1([S@](C)=O)CCC1 1507652849 LNPPNLVTXNTDMZ-XIFFEERXSA-N 462.579 2.049 30 10 JEEE C#CCN(CC#CC)c1nnc(COc2ccccc2OC)n1CC1(N(C)C)CCOCC1 1507675261 ARMHRYAWQKAAGG-UHFFFAOYSA-N 451.571 2.439 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCNC(=O)c2cccs2)CC1 1507722611 BRISHKCYXBUDMF-UHFFFAOYSA-N 480.594 2.209 30 10 JEEE C#CCN1CCN(c2nnc(CCCOc3ccc(Cl)cc3C)n2C[C@@]2(O)CCOC2)CC1 1507728134 OWDYZKFKWPEEOK-DEOSSOPVSA-N 474.005 2.158 30 10 JEEE C=C(C)COCCn1c(-c2cccc(C)n2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1507843186 RZLOFHSBQIRNBJ-UHFFFAOYSA-N 480.573 2.298 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2sc(C)nc2C)CC1 1507884507 IWYXJHGIKYOVHX-QGZVFWFLSA-N 466.633 2.083 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 1508078861 KXYUXTDFMXDIAJ-NVXWUHKLSA-N 484.557 2.325 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCN(c2nc(CC)ns2)CC1 1508080525 CCHODAXYHGRZBC-UHFFFAOYSA-N 452.588 2.296 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@@H](C)[C@H]1CC 1508136591 URFRMGXWADDJSJ-VQIMIIECSA-N 456.576 2.146 30 10 JEEE CC(=O)N1CC[C@@H](CN(C)c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCN(C(C)=O)C2)C1 1508197350 GGNSFSHSURKATO-GOTSBHOMSA-N 493.612 2.292 30 10 JEEE CC(C)(C)S(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1508687608 BRXQAVUYADTPPN-UHFFFAOYSA-N 494.625 2.070 30 10 JEEE Cc1ccc(NC(=O)c2nnc(N(CCC#N)CCC(C)C)n2Cc2nnn(C)n2)cc1C 1510927106 AJGUKGRQNIDTSQ-UHFFFAOYSA-N 450.551 2.485 30 10 JEEE COCCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2C#N)CC1 1518943110 AUUXNFJGAIBGGW-SFHVURJKSA-N 489.646 2.149 30 10 JEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1nccc(C(F)F)n1 1539155865 YZSIAXANPQCIOB-UHFFFAOYSA-N 461.498 2.041 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1Cc1snnc1C)[C@@H]1CCS(=O)(=O)C1 1539210296 BFTOIRNGENZOQS-OAHLLOKOSA-N 493.014 2.442 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCO[C@H]1C(=C)C)[C@H]1CCS(=O)(=O)C1 1539226211 VFSBTGNZVCCWBB-CUWPLCDZSA-N 475.640 2.242 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1c(CC)nn(C)c1OC 1539266858 TWRBPPYVYVWVDM-FQEVSTJZSA-N 497.600 2.012 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC[C@H]2CCO[C@@H](C)C2)CC1 1539469236 PEESABTWNKIHKJ-RLSLOFABSA-N 473.618 2.101 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(CN(C)CC)c1 1539538088 BQMSDVNARUGLDV-WZONZLPQSA-N 458.632 2.380 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCS(=O)(=O)CC 1539651625 INRGXHRPQUEHPU-UHFFFAOYSA-N 468.649 2.384 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1540908096 CAKUZDZVNHBRCS-OAQYLSRUSA-N 482.006 2.074 30 10 JEEE CNC(=O)[C@@H]1CN(C(=O)CCn2nc(C)cc2C)CCN1c1ccc(C#N)c(C(F)(F)F)c1 1548367926 XCFKOOGOYALWOS-IBGZPJMESA-N 462.476 2.244 30 10 JEEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N(C)CCOc1ccc(S(N)(=O)=O)cc1 1556829400 YFWBXICZUZOURF-UHFFFAOYSA-N 456.524 2.236 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1C[C@@H](c1ccccc1)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1588029201 FCKRZHJDMBWIKH-MZYLBHOOSA-N 485.654 2.492 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1588050861 WKYTXZYQHULMJD-HSALFYBXSA-N 485.658 2.118 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](C)COC)[C@H]1CCS(=O)(=O)C1 1588073599 AQXAKFDTDKIROP-FCGDIQPGSA-N 452.621 2.106 30 10 JEEE C#CCN1CCN(c2nnc(C(C)C)n2C[C@@H]2C[C@H]3COC[C@@H]3N2C(=O)OC(C)(C)C)CC1 1588741377 BRLNPNMIVFERGG-UFYCRDLUSA-N 458.607 2.181 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2cc(Cl)ccc2OC)CC1 1588751180 JEWRECQOOCBOIY-HSZRJFAPSA-N 459.978 2.396 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(O)(CC)CC)CC1 1588961691 IYPVQWIADURPNW-UHFFFAOYSA-N 464.570 2.246 30 10 JEEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)c1cc(F)ccc1F 1589070120 QUXZVAYAKMSVAJ-DNVCBOLYSA-N 499.609 2.453 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC)cc2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1589502998 AYGKZOBSNLKVFS-JBACZVJFSA-N 475.615 2.453 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCN2C(=O)CC[C@H]2C1)C(C)C 1595165210 CQYZFJCKEWNEMU-SFTDATJTSA-N 452.607 2.188 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCCC2 1595467545 XFRNVLYMFNGUFR-ZWKOTPCHSA-N 467.574 2.402 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H](C(=O)OC)C1 1595577370 QTRFBJUOHIDJFS-KRWDZBQOSA-N 455.559 2.456 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1C[C@H](C)O[C@@H](c2ccsc2)C1 1595788920 KQMDKZUVPBYIIR-MAUKXSAKSA-N 460.585 2.364 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[C@H](OC)C1 1595789163 OGESMJKIZGWNRP-FQEVSTJZSA-N 456.572 2.347 30 10 JEEE CC(=O)NC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](CC(C)C)N(C)C)CCO1 1596641077 CDURBQCNRYXOBT-YADHBBJMSA-N 453.591 2.134 30 10 JEEE C#CCC1(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)cc(OC)c2OC)CCCCC1 1617520489 KHIRCIVURBVNMR-UHFFFAOYSA-N 450.557 2.181 30 10 JEEE C[C@@H](CN1CCN(c2ccccn2)CC1)NS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 1621816011 FGBVMXMMPCKPBT-HNNXBMFYSA-N 453.490 2.461 30 10 JEEE C=CCOC[C@H](NC(=O)c1cccc(S(=O)(=O)N2c3ccccc3C[C@H]2C)c1)C(=O)OC 1635158769 KAJIWTLRZUVWGQ-UZLBHIALSA-N 458.536 2.301 30 10 JEEE C=CCn1c(SCC(=O)N2CCN(Cc3nc[nH]n3)CC2)nnc1-c1ccc(Cl)cc1 1639861494 CWDBXGARYQZWRC-UHFFFAOYSA-N 458.979 2.339 30 10 JEEE CCn1c(Cn2c(C(F)(F)F)ccc(C#N)c2=O)nc2cc(S(=O)(=O)N(C)C)ccc21 1653039321 FJSBWJAXMAAKDY-UHFFFAOYSA-N 453.446 2.407 30 10 JEEE C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Cl)c(OC)cc1Br 1653725989 PGHREZDIMMUZRK-JTQLQIEISA-N 458.783 2.475 30 10 JEEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN[C@H](CO)c2cc(F)ccc2F)CC1 1656510474 ARWHVLFFTYWFEQ-GOSISDBHSA-N 457.437 2.056 30 10 JEEE CCC(CC)NC(=O)[C@H]1CN(CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)c2ccccc2O1 1657766637 HIOFMOAYICDKAH-FYYLOGMGSA-N 455.603 2.251 30 10 JEEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(Br)ccc2C(C)(C)C)CC1 1672699347 ZAHAOOCVGUWFHA-UHFFFAOYSA-N 457.394 2.364 30 10 JEEE C#CCCCCn1c(N2CC[C@@H](N3CCN(CC)CC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1689907008 XXPDBAMBBUVNMM-RDGATRHJSA-N 458.651 2.338 30 10 JEEE C#CCN(c1nnc(CCOc2ccccc2)n1Cc1cnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1689993799 LSUNHXSEUBYVQZ-GOSISDBHSA-N 471.608 2.340 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CCc2cccc(C(N)=O)c2)CC1 1690139212 DLVJNYNUDGRCRZ-UHFFFAOYSA-N 460.538 2.154 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](c2cccc(OC)c2)N(C)C)CC1 1690146114 GFQJSBKUBVMHBZ-ISKFKSNPSA-N 494.640 2.449 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2CC2(O)CC(OCC)C2)CC1 1690152625 RUAQMXHAOFCYRG-UHFFFAOYSA-N 481.597 2.061 30 10 JEEE C#CCSCCn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1690163947 WWGZWDJPABUTFX-KRWDZBQOSA-N 454.021 2.483 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C 1690190306 QVIRZNLPZZTYRW-DRSNIGMVSA-N 482.651 2.383 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(C)CN(C)C1=O 1690206488 SKIFDFAZDIZQBI-UOKFIYJESA-N 472.590 2.057 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1690235839 FIGZWNOXNTUCTN-RBUKOAKNSA-N 473.622 2.125 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1690237880 BTNVKNBJFLHDAN-HOJAQTOUSA-N 490.586 2.353 30 10 JEEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1CCC(C)CC1 1690312979 IBYSZBPFGRFTQY-ACBHZAAOSA-N 455.625 2.219 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1690664027 JRAJCAMNDBJSOP-IBGZPJMESA-N 471.993 2.483 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCC(OCCN2CCCC2)CC1 1690667280 XUEURCQVUNTWTR-UHFFFAOYSA-N 456.566 2.468 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1690715641 PYQCWXOAENADRX-OALUTQOASA-N 496.655 2.259 30 10 JEEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)N2CCCC2)CC1 1690750049 YHKVCYFTNLKJPU-UHFFFAOYSA-N 458.636 2.397 30 10 JEEE Cc1nc([C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCNC(=O)C(C)(C)C)CCO2)no1 1693337481 CECFZAKZVXMOAY-SFHVURJKSA-N 464.530 2.248 30 10 JEEE C[C@@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1CCn1cc(Br)cn1 1693549296 CHXKYUNURKKAAU-OAHLLOKOSA-N 499.373 2.055 30 10 JEEE CCCS(=O)(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C2CC2)N(C)C)CC1 1695476579 CPXBUHXMPFEMTD-QFIPXVFZSA-N 485.658 2.455 30 10 JEEE CCN1CCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1695843061 DOVZRXZJIRYSBS-RBBKRZOGSA-N 485.658 2.409 30 10 JEEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](CN2CCCC[C@@H]2C)C1 1697022062 CDZVDKFMQZSDQV-FPOVZHCZSA-N 485.658 2.457 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCOCC1CCOCC1 1705491014 VVZJSTIEELENBI-GOSISDBHSA-N 464.570 2.483 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1705708835 HXPDMWGSXIHGCP-WIYYLYMNSA-N 457.579 2.229 30 10 JEEE C=CCCOCCn1c(-c2cccc(C#N)c2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1705827319 ARASTJRHIXIKLK-UHFFFAOYSA-N 458.588 2.270 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCN(Cc2csc(C(C)(C)C)n2)CC1 1705900430 DBUPMNZDVUVRJU-UHFFFAOYSA-N 481.630 2.114 30 10 JEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 1705906189 WHRKURKLECUZKM-UHFFFAOYSA-N 483.573 2.038 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(OC)c3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1705920411 WZGLFFNWVYKNJY-KSHDEOPHSA-N 464.526 2.261 30 10 JEEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@](C)(O)c2ccc(F)cc2)C1 1706934696 DXJAMYPNGJEJFD-KNXBSLHKSA-N 461.563 2.357 30 10 JEEE COCCN(CCC#N)c1nnc(-c2ccc(OC)c(Br)c2)n1Cc1nncn1C 1712453119 BKPHFHGWGDBZJI-UHFFFAOYSA-N 475.351 2.259 30 10 JEEE N#CCC1CCN(c2nnc([C@H]3CCCCO3)n2CCS(=O)(=O)N2CCSCC2)CC1 1712885271 GBJPHEDKVMTOJM-GOSISDBHSA-N 468.649 2.028 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1ccnc(OC(F)F)c1 1722282857 PEPJVTFFTPWRRE-AWEZNQCLSA-N 451.441 2.423 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1722291348 IZQRSJAQOZKADR-RHSMWYFYSA-N 468.480 2.117 30 10 JEEE C#CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCN(C)S(=O)(=O)CC 1722350964 FYFMGQSDFKCJNS-SFHVURJKSA-N 482.651 2.134 30 10 JEEE C#CCN(c1nnc(Cc2c[nH]c3ccccc23)n1C[C@H](C)COC)[C@@H]1CCS(=O)(=O)C1 1722372099 PADDIPUNJMMGJD-PKOBYXMFSA-N 455.584 2.259 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccsc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1722509356 MUBPVZCVMATCQH-PXNSSMCTSA-N 465.645 2.430 30 10 JEEE C=C(Cn1c(-c2cccc(C)n2)nnc1N1CCN(CC(=O)NCCOC)CC1)c1ccccc1 1722541374 MCWJNEFZZLEHBS-UHFFFAOYSA-N 475.597 2.247 30 10 JEEE C=C1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CC(=O)NCC(F)F)CC1 1722561592 XHZBWNQXFLXNIJ-UHFFFAOYSA-N 467.546 2.084 30 10 JEEE C=CCCCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1722604757 KAWBEBPBAWNUOM-UHFFFAOYSA-N 454.550 2.292 30 10 JEEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2OC)n1CC1(O)CCS(=O)(=O)CC1 1722678426 QLFXZRDFINWGTA-UHFFFAOYSA-N 485.006 2.186 30 10 JEEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC[S@](=O)C(C)(C)C 1722679698 JMDDCNXPKAEKEP-XIFFEERXSA-N 472.615 2.378 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCn2nc(C)nc2C1 1722690082 FGCIXXXVIGJQAY-INIZCTEOSA-N 466.546 2.039 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@](C)(C#N)C1 1722699063 QUNRWJAGLOEEJO-HXOBKFHXSA-N 473.578 2.019 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1722729672 TUYYWHMVRAFHIV-INIZCTEOSA-N 493.580 2.243 30 10 JEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CC[C@H](c2ccccc2OC)C1 1722730161 KJUKRYYTMJQUAK-SFHVURJKSA-N 473.599 2.004 30 10 JEEE C=CCSCCn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1722741637 RZLSUXRCZNBKSF-UHFFFAOYSA-N 468.627 2.024 30 10 JEEE CC[C@@H](C)N(C)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1727078531 FPVRJKGZEVTSAX-YLJYHZDGSA-N 468.581 2.297 30 10 JEEE CCOc1c(OC)cc(Cn2c(Cc3ccccn3)nnc2N2CCO[C@@H](C#N)C2)cc1OC 1728835622 DNBFUQUETNFEQC-IBGZPJMESA-N 464.526 2.457 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CCCC3)n2C[C@H]2CCCN2S(C)(=O)=O)c1 1740563581 VHFNRTKNIRVFKU-OAQYLSRUSA-N 484.626 2.416 30 10 JEEE C#CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC(NS(C)(=O)=O)CC1 1740590411 LRJJABNCMFYAHC-GOSISDBHSA-N 494.662 2.324 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1CC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1740620205 ORCDUVWZLCHFMB-GOSISDBHSA-N 474.583 2.016 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1CCN1CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1740620932 IHGHULQGDVYHJA-PMACEKPBSA-N 471.627 2.312 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CC(C)(C)N1CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1740627079 XQKDCKSLHAKVLA-IFMALSPDSA-N 484.670 2.401 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCCC(=O)NC2CC2)CC1 1740689438 ABZQSRRGWMIEQZ-GOSISDBHSA-N 454.550 2.371 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2CCCN2C[C@H](C)O[C@H](C)C2)CC1 1740694143 ZWMBETDDZHICQG-OYRHEFFESA-N 452.603 2.208 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](COCc2ccccc2)C1 1740782468 FEYTUNJVWHMYGE-NHCUHLMSSA-N 475.615 2.230 30 10 JEEE C=CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1740864342 LYIKNJODRIPAFC-NRFANRHFSA-N 468.606 2.150 30 10 JEEE C=CCCCCn1c(N2CCC([C@@H]3NC(=O)N(C)C3=O)CC2)nnc1[C@@]1(OCC)CCOC1 1740866904 RCUJVTWUMYWKSI-FDDCHVKYSA-N 460.579 2.053 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Br)cc2)nnc1N1CCN(CC)[C@@H](C)C1 1740963727 VPUBFQTWRQIYFE-INIZCTEOSA-N 477.407 2.452 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1740989582 RMOJNUROVDADAZ-SFHVURJKSA-N 458.544 2.124 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCN2CCCC[C@H]2C1 1740992957 PWEYVMIDXGMDGF-KRWDZBQOSA-N 465.570 2.422 30 10 JEEE CCN1CCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccccc2C#N)CC1 1746404709 BRKZVMMYTUNVFB-FQEVSTJZSA-N 450.591 2.099 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1CCN1CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1748821033 LMAKDYIWJUFBSX-ICSRJNTNSA-N 461.657 2.289 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1c[nH]c2ccc(F)cc12 1748962683 OCZKBLQUHMZWFZ-KRWDZBQOSA-N 459.547 2.129 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCc2noc(CC)n2)CC1 1748991505 YZVFDELTAPRJII-IBGZPJMESA-N 498.632 2.336 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@H](c2ccc(C)cc2)N(C)C)CC1 1749019152 MWTFLEUSTYKKPV-JOCHJYFZSA-N 452.603 2.392 30 10 JEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccc(N3CCCC3=O)c2)CC1 1749329596 PUYLFXYHLDFPRO-KRWDZBQOSA-N 472.615 2.466 30 10 JEEE C=CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1749408777 LMWVQBKWZFJFIP-UHFFFAOYSA-N 495.628 2.094 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1749663979 CQJRQHGMTDFXKB-QVKFZJNVSA-N 476.375 2.394 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Br)c2)nnc1N(C)[C@H](C)CC(N)=O 1749724600 KLFPIVVVHUSOFF-CYBMUJFWSA-N 470.393 2.009 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(=O)OCC)CC1 1749736627 MNZKKMZLWAWHGK-UHFFFAOYSA-N 483.541 2.026 30 10 JEEE C=CCSCCn1c(-c2cccn2C)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1749751212 MVJCEOFESBYELJ-OAQYLSRUSA-N 473.691 2.434 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCOC(C)C)[C@H]1CCS(=O)(=O)C1 1760182068 BICOLGOIWNDADU-IBGZPJMESA-N 461.544 2.295 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1CCOCC(F)(F)C(F)F)[C@H]1CCS(=O)(=O)C1 1760186566 OVYLIBQTZPNKIL-AWEZNQCLSA-N 468.517 2.410 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1CCCN(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1760189799 LVANSMUGHLCERE-FQEVSTJZSA-N 461.607 2.365 30 10 JEEE C#CCN(c1nnc(CCOc2ccccc2)n1CC1(OC)CCCC1)[C@@H]1CCS(=O)(=O)C1 1760191151 BORHXLLXLISOJV-HXUWFJFHSA-N 472.611 2.486 30 10 JEEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCc1nccc(C(F)(F)F)n1 1760196453 OEAIHDJUQCXGIU-NRFANRHFSA-N 462.476 2.443 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccc(CC)cc1)N(C)C 1760205486 BYDRLHIIXFUTRN-YADHBBJMSA-N 453.612 2.118 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CN(CC(C)C)CCO1 1760235734 VVRPEXUMHIAWIR-RTWAWAEBSA-N 490.649 2.403 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCOCCS(C)(=O)=O 1760462977 OMAODUMFDOWGRL-QGZVFWFLSA-N 471.624 2.076 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCc2ccccc21 1760505252 PHYVWYWEFXHRKD-UNMCSNQZSA-N 489.642 2.370 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2nc3cc(C)ccc3o2)CC1 1760515181 QJHZWCYLAQAQCG-UHFFFAOYSA-N 494.600 2.275 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC(NC(=O)C(C)C)CC1 1760515629 PSMRISJSTUBRIJ-UHFFFAOYSA-N 492.422 2.089 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1760518179 LKRQPBXEJQRRNJ-GOSISDBHSA-N 476.000 2.256 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCNC(=O)[C@H]1CC 1760526146 FSHJPOFBIPHNBD-LJQANCHMSA-N 454.575 2.306 30 10 JEEE CC(=O)N1CCN([C@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCCCCCO)C[C@@H]2C)CC1 1760623718 UHRRDWSCYUXIPV-RDPSFJRHSA-N 479.629 2.358 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 1772566421 BMUDIHPUCOHYRI-IRXDYDNUSA-N 478.475 2.128 30 10 JEEE C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]2(C)[C@@]1(O)C(=O)[C@@H](O)OP(=O)(O)O 1848437836 KJBJVISUYMGXJC-GLDBUVMCSA-N 452.440 2.188 30 10 JEEE COc1cc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCCN2CCOCC2)cc(OC)c1O 1862600695 PNWXXAXWYKXVBB-QFIPXVFZSA-N 498.532 2.416 30 10 JEEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1862635943 VQRJWHDYXXSXKL-GIPWTMENSA-N 484.417 2.054 30 10 JEEE C=CCN1C(=O)C(Nc2ccc(S(=O)(=O)NC(C)=O)cc2)=C(c2c[nH]c3ccccc23)C1=O 1863486379 STEUEIXQAIWCGH-UHFFFAOYSA-N 464.503 2.371 30 10 JEEE CC(C)(C)c1ccc(S(=O)(=O)CCC(=O)N[C@@H](CO)C(=O)Nc2ccccc2C#N)cc1 1866810360 VIHZZKCXFAQAGZ-FQEVSTJZSA-N 457.552 2.135 30 10 JEEE COc1ccc(/C=C/C(=O)Nc2c(C#N)nnn2-c2ccc3c(c2)C(=O)N(C)C3=O)cc1OC 1870141237 HMCFUFOFCMYWIQ-WEVVVXLNSA-N 458.434 2.034 30 10 JEEE C=CCN(CC=C)c1nc(=NCCCCN(CC)CC)[nH]c(=Nc2ccc3c(c2)C(=O)N(C)C3=O)[nH]1 1871633608 WIYKAGDMWQYKRM-UHFFFAOYSA-N 492.628 2.397 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)COc2nonc2C(=O)N(CCC)CCC)nc1C 1872678752 KEYDFTZYZZHBBZ-UHFFFAOYSA-N 451.505 2.457 30 10 JEEE COc1cc(/C=N/n2c(SCC(N)=O)nnc2[C@H]2CC(=O)N(C(C)(C)C)C2)cc(Cl)c1O 1874273179 BHWUIMKFIDEYGY-WQQCXNOLSA-N 480.978 2.220 30 10 JEEE Cn1nc(-c2ccc3c(c2)OCCO3)cc1C(=O)N1CCC(COc2nccnc2C#N)CC1 1891644587 RDVQKRGUMBQWSX-UHFFFAOYSA-N 460.494 2.451 30 10 JEEE C#CCCOCCOCCOCCOCCOCCNC(=O)OCC(Cl)(Cl)Cl 2060432483 FQFYHBLKTPVRBM-UHFFFAOYSA-N 464.770 2.189 30 10 JEEE Cn1nc(C(=O)N[C@]2(C)CCN(C(=O)OCc3ccccc3)C2)cc1B1OC(C)(C)C(C)(C)O1 2255623670 QCRCBBFKEIZMHV-XMMPIXPASA-N 468.363 2.250 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](NS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)CCO1 2255750700 OJQWDGUANGLJLG-ZDUSSCGKSA-N 474.410 2.267 30 10 JEEE CO[C@@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C[C@@H]1NC(=O)OC(C)(C)C 2255833196 YZJKLZVLDVSDHB-LSDHHAIUSA-N 452.382 2.411 30 10 JEEE Cc1sc(C(=O)N2CC(O)(CNC(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2255840599 OXIJOMMGVNRAMY-UHFFFAOYSA-N 452.382 2.067 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1COCCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2255876342 BWFOELZWWPFBSV-CQSZACIVSA-N 452.382 2.413 30 10 JEEE CCN(C[C@@H](C)NC(=O)OC(C)(C)C)C(=O)c1c(C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2267153649 CPSQUWXZJXZCBJ-CQSZACIVSA-N 450.389 2.403 30 10 JEEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)CCO1 2267157939 DKYYBZQHSHKOIX-HIFRSBDPSA-N 467.397 2.197 30 10 JEEE C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@H](C)c1nscc1B1OC(C)(C)C(C)(C)O1 2268651275 OCCTZVXGJPJKKN-IOASZLSFSA-N 469.413 2.236 30 10 JEEE C[C@@H]1CN(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C[C@@H](C)N1C(=O)OC(C)(C)C 2268680272 LDELAYRASPBNRR-CHWSQXEVSA-N 467.401 2.121 30 10 JEEE COC[C@@H](CC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F)NC(=O)OC(C)(C)C 2268711348 MBCIKPZWWVFXBZ-CQSZACIVSA-N 453.320 2.388 30 10 JEEE Cc1oc(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 2281805883 FEGMOBVCVWJLSW-BRWVUGGUSA-N 462.352 2.251 30 10 JEEE Cc1cnc(C(=O)N2C[C@@H](NC(=O)C(F)(F)F)CC[C@H]2C)c(B2OC(C)(C)C(C)(C)O2)c1 2281951663 MDEPQOVMTZBXCZ-KGLIPLIRSA-N 455.286 2.361 30 10 JEEE CCn1cc(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)n1 2281991939 HPAQYPWRLQISGG-JLVBRIDZSA-N 460.384 2.140 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCOC[C@H]1NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2281997319 ZVTUIASKUQCMJU-HZPDHXFCSA-N 481.786 2.446 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](CO)[C@@H](NC(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)CC1 2282149665 DUOIRWMEMRYJGG-ZBFHGGJFSA-N 481.424 2.180 30 10 JEEE Cn1cc(C(=O)NCC2CC3(CCN3C(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2282548551 YCIXAYKPXVTVOK-UHFFFAOYSA-N 460.384 2.239 30 10 JEEE CC1(C)OB(c2c[nH]c(C(=O)N3CC[C@@]4(CN(Cc5ccccc5)CCO4)C3)c2)OC1(C)C 2282638979 URNQHQMUFMDMLT-RUZDIDTESA-N 451.376 2.431 30 10 JEEE CC(C)(C)OC(=O)N1CC(N2CCN(C(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)s3)CC2)C1 2282678807 RCBIMTAYTQWTOR-UHFFFAOYSA-N 477.436 2.424 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H]1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 2282682356 NWYFMLAEQUHWGU-IAGOWNOFSA-N 463.384 2.126 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)OC(C)(C)C1 2284136669 FGZNSYINNCWASB-CHWSQXEVSA-N 482.412 2.049 30 10 JEEE CN(C)CCN1C(=O)C(=O)C(=C(O)c2ccc3c(c2)OCCO3)[C@@H]1c1cccc([N+](=O)[O-])c1 2296593730 UHTXMHCZYGRZMU-FQEVSTJZSA-N 453.451 2.349 30 10 JEEE CN(C(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1F 2320552484 CLYNGEGZSRRXCO-UONOGXRCSA-N 455.361 2.472 30 10 JEEE COC(=O)c1ccc(C=Nn2c(SCC(N)=O)nnc2[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1 2325917533 BZWFFEGDDPHBRZ-IBGZPJMESA-N 492.561 2.040 30 10 JEEE O=C1C[C@@H](c2nnc(SCCO)n2N=Cc2ccc(O)c(O)c2)CN1Cc1ccccc1 2325924820 MSMURHHVNZIYBT-QGZVFWFLSA-N 453.524 2.172 30 10 JEEE CCO[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1NC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2337403409 OHYSQBHVZVQRHS-KFWWJZLASA-N 467.397 2.243 30 10 JEEE COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 102542482 SHTGIWOOTPTZGJ-AGGMBTAESA-N 467.478 2.357 30 10 JEEE CCOC(=O)[C@@H]1CCCN(c2nc(O)c3c(n2)NC(=O)[C@@H](C#N)[C@@H]3c2cc(OC)ccc2OC)C1 256032797 IFCKOGCGDFUMSG-SKDZVZGDSA-N 481.509 2.203 30 10 JEEE O=C(Nc1ccc(OCC(F)(F)C(F)F)nc1)C(=O)NC1CCN(C(=O)CC(F)(F)F)CC1 517178732 AXCVZSIMSBJPRG-UHFFFAOYSA-N 488.360 2.359 30 10 JEEE C=CCNC(=O)CN1CCN(C(=O)CSc2nnc(-c3ccc(Cl)cc3)n2CC)CC1 522092989 VRAMVAWOMYBASX-UHFFFAOYSA-N 463.007 2.157 30 10 JEEE N#CC(C(=O)c1ccc2c(c1)OCO2)=c1sc(=Cc2cnn3ccccc23)c(=O)n1C1CC1 729669967 YPMCXZJMKUXNNY-UHFFFAOYSA-N 456.483 2.007 30 10 JEEE C[C@@H](c1cccs1)n1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cnn3ccccc23)c1=O 729672627 YSRJNLQTMZMUIJ-AWEZNQCLSA-N 461.572 2.010 30 10 JEEE C#C[C@H](NC(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O)c1ccc(Br)cc1 1129730433 HSFCADLFEWDBGC-INIZCTEOSA-N 450.333 2.319 30 10 JEEE CCN(Cc1nc(O)c2ccccc2n1)C(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 1135990076 HNLOTMDXHBCTKE-CQSZACIVSA-N 453.524 2.201 30 10 JEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC[C@](O)(C(F)(F)F)CC3)CC2)cc1 1140498369 CECDUZHSEBTQDX-LJQANCHMSA-N 459.490 2.265 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H](c1cccc(C)c1)N1CCOCC1 1286269780 HWRDZPHNKZCBOH-UNMCSNQZSA-N 450.587 2.354 30 10 JEEE C#CCN(CC#CC)c1nnc(COc2ccc(C#N)cc2)n1Cc1ccc(N2CCOCC2)nc1 1286433466 FIBVPEDRYFHUTM-UHFFFAOYSA-N 481.560 2.472 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2CCc2cccc(C(=O)N(C)C)c2)CC1 1286480081 KIKKDKWVZGVHFF-JOCHJYFZSA-N 450.587 2.219 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C(=O)NC)CC1 1286552281 PKFRIMVJKFOWIO-GHTZIAJQSA-N 470.574 2.405 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1286557989 ZFVRZWBSGSCHKH-YRNRMSPPSA-N 486.598 2.444 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1286567852 WXIYUIVIZATOMF-DHLKQENFSA-N 481.645 2.236 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)Nc2ccccn2)n1C[C@@]1(O)CCN(C)C1 1286744243 GCBDKOZASYQYKV-XMMPIXPASA-N 465.533 2.324 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 1286787189 BWKJHTOIOWQYKV-SJORKVTESA-N 487.992 2.378 30 10 JEEE C=CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1286829942 HHUGDMNXETWDEH-MRXNPFEDSA-N 488.639 2.217 30 10 JEEE C=CCSCCn1c(N2CCN(c3ncccc3C#N)CC2)nnc1[C@@]1(OCC)CCOC1 1286835983 DOMZTNBYCZKKDX-HSZRJFAPSA-N 469.615 2.443 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)NCc2ccnc(N3CCSCC3)c2)ccc1F 1287403864 NNMIALDTEDTNJY-UHFFFAOYSA-N 450.561 2.168 30 10 JEEE CCN(CC)[C@@H](C)Cn1c(-c2cccn2C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1295369284 CDADXNVAJXXVOL-SFHVURJKSA-N 464.622 2.254 30 10 JEEE CCO[C@@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2Cc2cccc(OCCN(C)C)c2)CCOC1 1296605309 HGQRLEOYJMYVAH-RPWUZVMVSA-N 472.565 2.361 30 10 JEEE C#CCCCn1c(N2CCN(c3nc(C)cc(C)n3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1300425303 SKDLVIDQARGXOW-DEOSSOPVSA-N 453.591 2.466 30 10 JEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCOC[C@H]1CCOC1 1300437941 AFRIPDBFSNPGKV-GOSISDBHSA-N 460.604 2.059 30 10 JEEE C#CCN(c1nnc(-c2cc3c(s2)CCCCC3)n1CCC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1300481329 ACDNWPADWFPHHL-GOSISDBHSA-N 489.667 2.381 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc3ccccc3n2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1300569164 DOTRUIULEKAJIR-LJQANCHMSA-N 462.579 2.238 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2[nH]c(C)c(C)c2c1 1300579376 UMLFLTGITRRJQQ-HSZRJFAPSA-N 494.621 2.220 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCc2scnc2C)CC1 1300729121 NNLJGPPBSJLEKC-UHFFFAOYSA-N 466.615 2.113 30 10 JEEE C#CCSCCn1c(COc2cccc(C)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1300769206 BUPLKIZUFIZGSH-SFHVURJKSA-N 463.629 2.002 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCSc1ccccc1 1300805929 LKQZXHOSUDWMRJ-DENIHFKCSA-N 475.640 2.395 30 10 JEEE C=C(Br)Cn1c([C@H]2COc3ccccc3O2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1300848308 CYDZWSQFFQGLSR-CZUORRHYSA-N 469.361 2.323 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](OCC(C)C)C1 1300885386 PFTYHTQBCJEFGI-FYQPLNBISA-N 452.621 2.413 30 10 JEEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2cc(F)cc(F)c2C1 1301239015 JWEHUICOORUJOQ-AWEZNQCLSA-N 455.531 2.322 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CN2CCCC2=O)n1C[C@]1(O)CCO[C@@H]1C 1301338289 VGVPGBJVDOZHPH-HOYKHHGWSA-N 455.559 2.142 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc(-c2noc3c2COCC3)n1CCS(C)(=O)=O 1301351725 ZEYYACHTJIRVAZ-UHFFFAOYSA-N 461.519 2.382 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)NC(=O)OC(C)(C)C 1301424712 OBKBEJHBSVHTIL-MRXNPFEDSA-N 471.624 2.122 30 10 JEEE C=CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1301454102 KGLGTEZZFDRGEQ-UHFFFAOYSA-N 457.560 2.030 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1301520255 VUZYKRQLNQTICX-XMMPIXPASA-N 497.625 2.367 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 1301568493 TXCDBRRRERMARH-UHFFFAOYSA-N 491.458 2.338 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1301577194 LGTYSOUGQWXXPY-IBGZPJMESA-N 460.560 2.242 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2CCCNC(=O)C(C)C)c1 1358902645 VFLUKTVWYXNEBG-IBGZPJMESA-N 452.559 2.001 30 10 JEEE C#CCN(c1nnc([C@@H](CC)c2ccccc2)n1CC1(O)CC(OCC)C1)[C@H]1CCS(=O)(=O)C1 1358956272 CSEYLCKMRFQRBI-ORHQAHCRSA-N 486.638 2.377 30 10 JEEE C#CCN(c1nnc(-c2cccc(Br)c2)n1Cc1ccn(C)n1)[C@@H]1CCS(=O)(=O)C1 1358957734 ZKRSTUIRAJLTIX-GOSISDBHSA-N 489.399 2.116 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H]1CCC[C@H](O)C1)[C@H]1CCS(=O)(=O)C1 1358959319 GLAVHSLYFJGUJG-QYZOEREBSA-N 488.610 2.140 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(I)cc1 1359009448 QKMAJIKFWGQDDK-OAHLLOKOSA-N 484.363 2.293 30 10 JEEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2CC2(S(C)(=O)=O)CCCC2)CC1 1359036975 PIRKHGHOMRJTMJ-UHFFFAOYSA-N 477.581 2.260 30 10 JEEE C#CCN1CCN(c2nnc(COCC)n2C[C@H](c2cccc(OC)c2)N2CCCC2)CC1 1359039871 ZMGGGWRTIZHHDI-HSZRJFAPSA-N 452.603 2.416 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1359101382 NOYYTLAOPSXWIP-UGKGYDQZSA-N 474.631 2.105 30 10 JEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)Cc2ccccc2C)CC1 1359126641 URZOFEHUWWBVQN-UHFFFAOYSA-N 480.613 2.307 30 10 JEEE C=CCCCCn1c(N2CCCN(S(C)(=O)=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1359206508 HMWKZTWZGZHFOG-NRFANRHFSA-N 455.625 2.147 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1)C(C)C 1359264668 LSIJJNOPCIOSCP-NBGIEHNGSA-N 485.633 2.244 30 10 JEEE C[C@@]1(C#N)CCCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)N2CCSCC2)C1 1360783211 FPAPRQUKDJUDSF-QFIPXVFZSA-N 485.639 2.325 30 10 JEEE C#C[C@@H]1CCCN(CC(=O)NCCN2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)C1 1473588565 YDKCGMPTXBZZHN-MXDDHBLUSA-N 457.577 2.078 30 10 JEEE N#Cc1ccc(CN2CC[C@@H](NC(=O)N[C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2=O)cc1 1478419749 CAOQAIUUBIOMCY-FGZHOGPDSA-N 456.506 2.026 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1C[C@@]1(O)CCO[C@@H]1C 1497036526 CSYSTMKWFMZKIL-NSYGIPOTSA-N 499.591 2.074 30 10 JEEE CO[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2ncc(F)cn2)CC1 1503942407 DUTXIHALLUAPMA-INIZCTEOSA-N 452.494 2.019 30 10 JEEE COCCN(C)CCCn1c(-c2cnccn2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1504849553 CNDVAQIAJAWEIH-UHFFFAOYSA-N 479.564 2.041 30 10 JEEE CS(=O)(=O)NCCn1c(C2CCCC2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1505145693 FCENSHLINOKNBX-UHFFFAOYSA-N 458.588 2.404 30 10 JEEE C#CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)CCN1CCOCC1 1507564857 YGYIQCLYVKCSHW-UHFFFAOYSA-N 452.607 2.024 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H](C)Oc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1507634886 OFKIFJOEUUVFHT-CTNGQTDRSA-N 495.605 2.367 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCO3)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1507645536 DUKSUUOUPUVXIO-HXUWFJFHSA-N 475.471 2.400 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3)n2CCN(C)CCOC)CC1 1507719966 GGPHPPPABLSMET-UHFFFAOYSA-N 461.408 2.041 30 10 JEEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2CCCCCS(C)(=O)=O)CC1 1507730235 PCDWRXYOMUSZPC-UHFFFAOYSA-N 465.570 2.117 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCN2CCCC[C@H]2CC)CC1 1507736467 PTZQQSVUCPFDAF-GJZUVCINSA-N 486.661 2.161 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H](c2ccccc2)N(C)C)CC1 1507736471 PUMDCVOPZLKBEG-WNCULLNHSA-N 494.640 2.199 30 10 JEEE C#CCSCCn1c(-c2cccc3cccnc23)nnc1N1CCN(CC(=O)N(C)C)CC1 1507747927 MPXDLOUOWVNCJV-UHFFFAOYSA-N 463.611 2.070 30 10 JEEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1507783436 WLLMBDAGZLDWKB-UHFFFAOYSA-N 474.323 2.217 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2c(c1)CCCO2 1507820559 HDTFVQITJXVIFY-OAQYLSRUSA-N 475.615 2.387 30 10 JEEE C=C(C)COCCn1c(-c2ccccc2OC)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1507841183 WXKFSRCDECUAFL-HXUWFJFHSA-N 468.558 2.313 30 10 JEEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC[C@@H](C(F)F)N1CCOCC1 1507978967 WQEUMLABWGWJQB-KRWDZBQOSA-N 483.589 2.216 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)SC 1507997991 APKKUNBVTZMTDX-PXNSSMCTSA-N 490.655 2.427 30 10 JEEE C=CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1508157940 HXLVVZOFVQYGPM-SFHVURJKSA-N 486.598 2.354 30 10 JEEE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3cccc(C#N)c3)n2CCCCN2CCC[C@@H]2CO)C1 1508188859 URXGMPYGEMTQCQ-ISKFKSNPSA-N 479.629 2.358 30 10 JEEE CC(C)NC(=O)c1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1C[C@@H](C)N1CCOCC1 1509605075 GNGSNNXUSWEOTE-GOSISDBHSA-N 451.575 2.178 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1Cc1cc2c(cc1OC(F)F)OCO2 1510147742 CYBHPDHXNNNGSJ-RYUDHWBXSA-N 486.501 2.005 30 10 JEEE CCN1CCN([C@H](C)Cn2c(-c3ccc(OC)c(OC)c3)nnc2N2CC[C@](F)(C#N)C2)CC1 1515891126 DAYVKSVMJYNSKL-KOSHJBKYSA-N 471.581 2.430 30 10 JEEE CCOc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1CC1(C(N)=O)CCCC1 1516340676 BPPKLUSZNHSAIL-QGZVFWFLSA-N 454.531 2.030 30 10 JEEE COC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(C)(C)C)CC1)OC 1518731339 HABIDNBOMBBWIB-HXUWFJFHSA-N 470.574 2.085 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](CC)Oc1cccc(F)c1 1539016738 VJJHIYMZRIOKAV-HQRMLTQVSA-N 479.578 2.066 30 10 JEEE C#CCN(c1nnc(CN2CCCC2=O)n1CCOc1ccccc1C(C)C)[C@@H]1CCS(=O)(=O)C1 1539231757 XTXRWRPKQPSLFC-HXUWFJFHSA-N 499.637 2.230 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1CCCCN1CCC[C@H]1CO 1539241585 FFSKQSMDCLXKNU-SFHVURJKSA-N 459.392 2.345 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc2c(cc1OC)C[C@@H](C)O2 1539323147 DDHVBHPYOCXGLZ-MSOLQXFVSA-N 468.579 2.023 30 10 JEEE C#CCN(CCOC)c1nnc(Cc2ccccn2)n1C[C@@H]1C[C@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1539417825 VOGJXESZNBLHKU-BVSLBCMMSA-N 496.612 2.374 30 10 JEEE C#CCN1CCN(c2nnc(C(C)(C)C)n2C[C@@H]2C[C@@H]3COC[C@H]3N2C(=O)OC(C)(C)C)CC1 1539428157 NKTISLQPIHALKR-HSALFYBXSA-N 472.634 2.355 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cccc(CN(C)CC)c2)CC1 1539428818 WVJIUVKTLZMSLK-UHFFFAOYSA-N 472.597 2.181 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](C)Oc2ccc(F)cc2)CC1 1539476546 BAXHQCNLLXCZPT-KRWDZBQOSA-N 465.533 2.251 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(OC)nc2ccccc12 1539538491 JIJUJRULDDKAAU-WAIKUNEKSA-N 468.583 2.486 30 10 JEEE C=C1CCN(c2nnc(COc3ccccc3F)n2CCNS(=O)(=O)Cc2ccon2)CC1 1539859764 TZYPIMPQUKMBOZ-UHFFFAOYSA-N 476.534 2.260 30 10 JEEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1540873721 HMBGSLYWSXZXGL-JOCHJYFZSA-N 463.586 2.084 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C/C=C\c2ccccc2)C1 1540892933 UGZAAFOGIXEOHI-YZJHFVMWSA-N 473.599 2.106 30 10 JEEE C=CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(C(C)=O)C[C@H]1C 1540912906 FGVJJCBQRIHPAC-MRXNPFEDSA-N 467.599 2.168 30 10 JEEE CC1(C)CN(CCn2c(C(=O)Nc3ccccn3)nnc2N2CCC(CC#N)CC2)CCO1 1542012132 GZFHEOPLUOHKEF-UHFFFAOYSA-N 452.563 2.166 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(C)CCC2)c1 1587683495 KNYIWTMXGSTNIM-INIZCTEOSA-N 458.588 2.135 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CC1CC(C)(C)C1)[C@H]1CCS(=O)(=O)C1 1588034081 AWGKLVHIAQVNDN-CVDCTZTESA-N 464.632 2.382 30 10 JEEE C#CCN(c1nnc(-c2nnc(O)c3ccccc23)n1CCCCOCC)[C@@H]1CCS(=O)(=O)C1 1588049241 CTJOCILLNUSQAR-QGZVFWFLSA-N 484.582 2.037 30 10 JEEE C#CCSCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1589060195 OJFQVXNHIJFVPR-ROUUACIJSA-N 497.687 2.382 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(CC(C)C)C(=O)C1 1595577050 HOSUAAMCTFKUKB-UHFFFAOYSA-N 454.575 2.081 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N(CC)Cc1cnn(C)c1 1595805045 KMQIKKMBNDIQNA-HXUWFJFHSA-N 472.571 2.151 30 10 JEEE C#Cc1cccc(NC(=O)CNC(=O)C2(n3cccn3)CCN(C(=O)OC(C)(C)C)CC2)c1 1596871789 VLXGYWWKJFNAJA-UHFFFAOYSA-N 451.527 2.346 30 10 JEEE COCCN(CCC#N)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@]1(O)CCS(=O)(=O)C1 1619910380 HHJCASJPQDBQAI-IBGZPJMESA-N 488.397 2.168 30 10 JEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC3(CC2)CNC(=O)c2ccccc2O3)c1 1645431245 YJGGSTAEOLXNTK-UHFFFAOYSA-N 452.532 2.281 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCNC(=O)c1cccc(OC)c1 1649539278 ZKYWWSJKENQDEL-KOSHJBKYSA-N 455.559 2.215 30 10 JEEE CCOC(=O)c1c(NC(=O)NC2CCN(Cc3ccncc3)CC2)c(C#N)cn1CCOC 1660530065 HPMORSBKYFGFBS-UHFFFAOYSA-N 454.531 2.364 30 10 JEEE C=C(C)C[C@H](NS(=O)(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C)C(=O)OCC 1663904935 GGJAQBANJYTQOG-SFHVURJKSA-N 458.602 2.346 30 10 JEEE CC[C@@H](C#N)Oc1cc(CNC(=O)N2CCN(CC(=O)N3CCCCC3)CC2)ccc1OC 1679046725 HQLCUGXNBOLFHX-FQEVSTJZSA-N 457.575 2.216 30 10 JEEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(Cc2ccc(OC)cc2)C(=O)C1 1689888456 JPOIIZIOQUXFBR-NRFANRHFSA-N 464.570 2.280 30 10 JEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1ccc(O)cc1 1689892600 IVPSDLQLDZXIDM-LEWJYISDSA-N 473.599 2.462 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1Cc1cnn(CC)c1)[C@H]1CCS(=O)(=O)C1 1689979688 GCWPRVMZLGMFME-HKUYNNGSSA-N 486.573 2.449 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1C[C@H](c1cccs1)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1689979728 GLYGDJHGKPPGAB-RBUKOAKNSA-N 491.683 2.337 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCSC2(C)C)n1 1690109123 HNDLBNDVZABOSI-MJGOQNOKSA-N 471.631 2.244 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H](C)CN2CCCC2)CC1 1690117451 IHHJACHNIZUSFH-FQEVSTJZSA-N 452.603 2.449 30 10 JEEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2CCCN2CCCO[C@@H](C)C2)CC1 1690126257 XISGUKVVODAQBP-FQEVSTJZSA-N 472.584 2.403 30 10 JEEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 1690299314 NDHSYBFUYGMTKG-QGZVFWFLSA-N 450.584 2.455 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2cccc(F)c2)C1 1690313628 ZGCIYVZNGMXLDW-UYAOXDASSA-N 464.563 2.490 30 10 JEEE C=C(C)COCCn1c(N2CCN(c3cnccn3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1690320662 ZILGTRUCGDUGDR-QHCPKHFHSA-N 457.579 2.028 30 10 JEEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1690361056 FZANXDSZCZSMSR-HBFSDRIKSA-N 481.041 2.324 30 10 JEEE C=CCCOCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@@H](CNC(C)=O)C1 1690507656 SAIWNESATZOTSY-IBGZPJMESA-N 479.585 2.137 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCO[C@H](C#N)C1 1690675999 MPAXHJAHACMUER-CQSZACIVSA-N 451.314 2.195 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1690676024 NCPNBKIIUUIBNH-INIZCTEOSA-N 482.507 2.241 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CC[C@@]2(C)[C@H](C1)C2(Cl)Cl 1690714113 FEVSCKWZYFZUGL-GUYCJALGSA-N 464.419 2.037 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(OC(C)(C)C)CC1 1690732322 ZTPHAAOBZNLXKW-HKUYNNGSSA-N 470.636 2.387 30 10 JEEE CC(C)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC(F)(F)F)CCO1 1692013782 DIBKNVSHTZFWTJ-QGZVFWFLSA-N 466.464 2.268 30 10 JEEE CC[C@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@H](C)CN1CCN(CC)CC1 1694115438 DCFJAEXSGDFNSU-RTWAWAEBSA-N 496.708 2.305 30 10 JEEE CC[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H](C)C#N)NC(=O)OC(C)(C)C 1694387084 ATOOJOFPHSRMPZ-HRCADAONSA-N 454.597 2.079 30 10 JEEE COc1ccccc1SCc1nnc(N2CCO[C@@H](C#N)C2)n1CCN1CCOC[C@@H]1C 1697627675 CYHUZPJFMXYODH-ROUUACIJSA-N 458.588 2.028 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@@H](CC)N2CCCC2)c1 1705503689 BUDZPTOHFVGYLB-JOCHJYFZSA-N 477.613 2.445 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CCCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1705558572 BGKLZJWWGZEGCQ-HNNXBMFYSA-N 463.526 2.166 30 10 JEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CCn1cc(C)cn1)[C@@H]1CCS(=O)(=O)C1 1705560465 HDNMHXPASXUWKG-LJQANCHMSA-N 458.975 2.430 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCOC(C)C)[C@H]1CCS(=O)(=O)C1 1705572143 RYICBBJHLILCKG-OALUTQOASA-N 495.646 2.402 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1C[C@H](N1CCOCC1)C(F)(F)F 1705622954 ATVNAVQORZPBKV-IBGZPJMESA-N 462.476 2.166 30 10 JEEE C#CCN1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2C[C@@H](OC)C(C)(C)C)CC1 1705635076 QENHUCNPZRFBIY-LJQANCHMSA-N 487.674 2.363 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cccc(OC)c2OC)CC1 1705782191 QKXUMWOVTRGPHU-HXUWFJFHSA-N 491.614 2.079 30 10 JEEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 1705818297 FTQSNAMZVZPPFQ-QZTJIDSGSA-N 450.609 2.026 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1705898116 BHFWZHIIXBHUMX-FQEVSTJZSA-N 451.531 2.050 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2cnn(C)c2)CC1 1705911147 ZUEXHSGSWBBHCU-UHFFFAOYSA-N 464.574 2.090 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCO[C@H](c2noc(C)n2)C1 1705933234 YRZUGDRNGKQCTK-SFHVURJKSA-N 458.544 2.124 30 10 JEEE CCO[C@@]1(c2nnc(N3CCC(C#N)CC3)n2CCNC(=O)c2ccccc2F)CCOC1 1710447688 HZQZJJPMNOUSQZ-QHCPKHFHSA-N 456.522 2.239 30 10 JEEE CN(C)C(=O)COc1cccc(Cn2c([C@@H]3CCCCO3)nnc2N2CC[C@](F)(C#N)C2)c1 1710991123 GPNQJGODBIHBOU-CVDCTZTESA-N 456.522 2.477 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccnc(OCc2ccccc2)c1 1722279813 USVMMGAYWQFUSH-ZWKOTPCHSA-N 468.583 2.369 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccn(-c2ccc(F)cc2)n1 1722295761 MBZIYMDJKRIJBE-IAGOWNOFSA-N 456.547 2.206 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2cccc(CN(C)C)c2)CC1 1722430302 AINRSUYQYSUTBT-SANMLTNESA-N 466.630 2.184 30 10 JEEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCN(C(=O)N2CCCC2)CC1 1722479382 HTWDVBRAXBCMCP-INIZCTEOSA-N 471.400 2.249 30 10 JEEE CS(=O)(=O)c1ccc(OCCn2c(-c3cccnc3)nnc2N2CC[C@@](F)(C#N)C2)cc1 1730993736 BJOXHUTVZSKFHU-OAQYLSRUSA-N 456.503 2.265 30 10 JEEE N#C[C@H]1CN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@H]2CCCN2CCCO)CCO1 1731185655 AZBDHTIBNGASFG-HKUYNNGSSA-N 462.501 2.122 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1cc(F)ccc1F)[C@@H]1CCS(=O)(=O)C1 1740628583 ZAXSCABKKSDQAR-IEBWSBKVSA-N 450.511 2.473 30 10 JEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCN(C)CC(F)(F)F 1740638259 LVRPNVAPLJDXRB-UHFFFAOYSA-N 460.508 2.019 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCCN(C)[C@H]2c2cccs2)CC1 1740689021 NWJFCMOVAFNNNN-TZIWHRDSSA-N 469.659 2.316 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc([C@@H](C)O)cc2)CC1 1740708476 QTUDWKBHUCSRFI-HXUWFJFHSA-N 475.597 2.207 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC[C@@](C)(O)c2ccccc2)CC1 1740709580 IYTUDJOYEVRAHN-JEYPMZLKSA-N 495.624 2.266 30 10 JEEE C#CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1C[C@H](C)O[C@H](COC)C1 1740716026 IXZPRUYQRDRZEK-ROUUACIJSA-N 482.610 2.281 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](OCc2ccccc2)C1 1740810477 CTLASDJMBMXYFV-OALUTQOASA-N 482.006 2.159 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@@H](C)C1)C(C)C 1740927043 QBBOGHRLLVUVIL-UWHLTILDSA-N 465.664 2.492 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1740953640 MOYUOBGLZOLSMH-HSZRJFAPSA-N 475.615 2.292 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)ccc2C)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1740993527 DOMXTAZNLKTMLY-GBXCKJPGSA-N 490.626 2.459 30 10 JEEE C[C@@H](c1nccs1)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N(C)C)CC1 1741796020 FDOCGTCJNZHDBD-INIZCTEOSA-N 450.572 2.245 30 10 JEEE C[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N(C)C[C@H]1CCCOC1)N1CCOCC1 1741862051 BWDXGFOZCONPNO-TZIWHRDSSA-N 454.575 2.312 30 10 JEEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(-c2ccc(C#N)cc2)n1CCNC(=O)C(C)(C)C 1743231439 CXPRUJVRRQETFG-SFHVURJKSA-N 498.595 2.356 30 10 JEEE COc1cc(Cn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@@H](C#N)C2)ccc1C 1748543618 DMWBVEVINZHXHU-KRWDZBQOSA-N 452.540 2.364 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2CCS(=O)(=O)C(C)(C)C)c1 1748692601 JKAOYTZMOYZBRX-IBGZPJMESA-N 487.626 2.442 30 10 JEEE C#CCN(c1nnc(-c2ccc3ccccc3n2)n1CCC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1748808467 COECEJQKYRYLGI-IBGZPJMESA-N 480.594 2.035 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H]2CCCCS2)CC1 1749001522 VLRFKWYITKJSQP-LJQANCHMSA-N 460.648 2.448 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2nc(C(F)(F)F)cs2)CC1 1749008596 DXZKQYBVRVFMEF-UHFFFAOYSA-N 476.488 2.225 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccccc2OC)CC1 1749015281 BJZGJYFSMXIIDS-UHFFFAOYSA-N 492.605 2.292 30 10 JEEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCCN(C(=O)C2CC2)CC1 1749044761 VHZUSOXFQOJVMT-UHFFFAOYSA-N 472.640 2.085 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccc2C)nnc1N1CCN(CC(=O)NCC)CC1 1749134335 XLIMOEATSPMYSQ-RDGATRHJSA-N 466.630 2.417 30 10 JEEE C=C(C)Cn1c(COc2ccccc2OC)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1749204925 XVSVYNJPMDHDMR-UHFFFAOYSA-N 481.557 2.499 30 10 JEEE C=C(Cl)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(CC(C)C)C(=O)C1 1749264632 BBSICPFCEJPCRX-UHFFFAOYSA-N 455.950 2.249 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2c(c1)[C@H](C)[C@H](C)O2 1749487020 AKEOPNCAMQBRLQ-GUXCAODWSA-N 461.588 2.166 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1CCN(C(=O)OC)CC1 1749591036 LYJMJQYGAWQOCS-LJQANCHMSA-N 491.614 2.487 30 10 JEEE C=CCNC(=O)Cn1c(N2CCN(c3nc(C)c(C)s3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1749681757 IBFMKBOGYPOAMR-QHCPKHFHSA-N 489.646 2.021 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1C[C@@H](C)OC(C)(C)C1 1749736438 IWAXEMVTDZEOFR-QGZVFWFLSA-N 458.588 2.121 30 10 JEEE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3cccc(Cl)c3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1749785674 FLAURCPEEXGAOQ-BIBRTQAFSA-N 497.987 2.430 30 10 JEEE COCCN(CCC#N)c1nnc([C@H]2CCOC2)n1Cc1cc(F)ccc1N1CCOCC1 1749829877 AAMUQLUUBHGBJJ-SFHVURJKSA-N 458.538 2.172 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(CN(C)CC)c1 1760218303 CMXLHMRKNGFJBI-QFIPXVFZSA-N 453.612 2.143 30 10 JEEE C#CCN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1760227589 IOCGMUNTDDUWRD-BVAGGSTKSA-N 467.614 2.393 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(=O)NCCC 1760249907 UZHBGZIITIRCKT-SFHVURJKSA-N 462.595 2.005 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2C[C@]2(O)CCO[C@@H]2C)CC1 1760254278 SIOBHYSONKOTLK-WZOHSFFVSA-N 469.586 2.112 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2CCCN2CCCO[C@H](C)C2)CC1 1760269985 RAMMVNBIVOOPJY-HXUWFJFHSA-N 456.635 2.402 30 10 JEEE C#CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1760280511 RBIJWPKOUURGLE-INIZCTEOSA-N 486.623 2.364 30 10 JEEE C=CCC(C)(C)Cn1c(N2CCCN(S(C)(=O)=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1760416446 DKAOFRQDXYSKEY-QFIPXVFZSA-N 469.652 2.393 30 10 JEEE C=CCCOCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(C)C(=O)C1 1760450470 LMWZNRHEXJSIBT-SFHVURJKSA-N 462.595 2.264 30 10 JEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](OCCCc2ccccc2)C1 1760510361 VADHJSURWNSAHV-NHCUHLMSSA-N 475.615 2.025 30 10 JEEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@H](C)[C@@H](C)C1 1760514886 IEYZMEHACGVFOK-HOTGVXAUSA-N 459.620 2.331 30 10 JEEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1760523137 NDNQZSAHMFTVHS-ZWKOTPCHSA-N 479.585 2.096 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1760526031 AXBDWYKZSVXUIF-LJQANCHMSA-N 463.586 2.342 30 10 JEEE C=CCNC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O 1861833513 MIZMIAKVJLBMBZ-JOCHJYFZSA-N 473.485 2.425 30 10 JEEE Nc1cccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccc([N+](=O)[O-])c2)c1 1862558223 QWNUPXDRDYMXAD-HXUWFJFHSA-N 452.467 2.088 30 10 JEEE COCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1862614351 BRMDYNCZUVWMEP-NRFANRHFSA-N 498.444 2.362 30 10 JEEE O=C(C1=C(O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccc(O)c([N+](=O)[O-])c1)c1ccc(F)cc1 1862682750 LFHOVDDGIYYHAN-HXUWFJFHSA-N 471.441 2.350 30 10 JEEE COCCCN1C(=O)c2ccc(C(=O)N[C@H](C)C(=O)N[C@@H](C#N)c3ccc(C)cc3)cc2C1=O 1867515337 QVSTYWGGWIJJJR-IERDGZPVSA-N 462.506 2.127 30 10 JEEE Cc1nc(SCc2cc(=O)c(OCC(N)=O)cn2CCCn2ccnc2)c(C#N)c(C)c1C 1870185910 RVZKAABSZCFAET-UHFFFAOYSA-N 466.567 2.483 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)Nc2ccc(C(C)=O)cc2)cn1CCNC(C)=O 1870400020 OCOOIPDFTORUDU-UHFFFAOYSA-N 480.565 2.379 30 10 JEEE C=CCn1cc(OCC(=O)N(C)C[C@H]2CCCO2)c(=O)cc1CN1CCN(c2ccccc2)CC1 1870548459 ZTMQUVJBASBQGT-XMMPIXPASA-N 480.609 2.373 30 10 JEEE COCCn1c(C(=O)NCC#CCOc2ccccc2OC)cc2c(=O)n3ccccc3nc21 1891063392 PGALHRMJIMMIKE-UHFFFAOYSA-N 460.490 2.116 30 10 JEEE CC(C)N1C(=O)CS[C@H](C(=O)N2CC[C@H](Oc3ccncn3)C2)[C@H]1c1ccc(C#N)cc1 1891290551 CUUKFPIHBDJOAX-BWAGFHJFSA-N 451.552 2.422 30 10 JEEE CC1(C)OB(c2cncc(S(=O)(=O)N[C@@]3(C)CCN(Cc4ccccc4)C3)c2)OC1(C)C 2267377858 LMHGLMZJVCHDGG-QHCPKHFHSA-N 457.405 2.324 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H]1CNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2267463880 DFICDKZYEKDXAD-KGLIPLIRSA-N 487.453 2.023 30 10 JEEE CCc1nc(C(=O)N2CC[C@](C)(NC(=O)C(F)(F)F)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2267490303 ZKJZIQFVIPWJPD-SFHVURJKSA-N 461.315 2.288 30 10 JEEE COc1ccc(NC(=O)C[C@H](O)CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2268646052 RZXNCIXRFWJHLZ-AWEZNQCLSA-N 450.341 2.209 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)[C@H]1CC=CCC1 2268712360 VZUMWFCYXJZVPF-UONOGXRCSA-N 464.397 2.447 30 10 JEEE CO[C@@H](CNC(=O)OC(C)(C)C)C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2269688343 HYXCCEDYAJEDFK-KRWDZBQOSA-N 452.332 2.281 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2cc(F)ccc2B2OC(C)(C)C(C)(C)O2)[C@H](O)C1 2281778672 XEVZMIOYZPUDHE-ZWKOTPCHSA-N 464.343 2.225 30 10 JEEE Cc1c(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281984773 FPRKDBFGXCNWBI-GOEBONIOSA-N 462.400 2.403 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCOC[C@@H]1OCc1ccccc1 2282014241 OTZKAGUPMMROPM-UXHICEINSA-N 455.364 2.306 30 10 JEEE CC(C)(C)OC(=O)N1CCn2[nH]c(=NC(=O)c3sncc3B3OC(C)(C)C(C)(C)O3)cc2C1 2282027579 RZHZBXKDJLNECR-UHFFFAOYSA-N 475.380 2.064 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC[C@H](NC(=O)OC(C)(C)C)C(F)(F)F 2282037977 CBHPVDDYSCLVCK-ZDUSSCGKSA-N 476.305 2.295 30 10 JEEE Cn1nc(C(=O)NC[C@]2(F)C[C@@H](NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2282049607 BSPPXJJMKOWGDI-UZKDLZAESA-N 486.781 2.498 30 10 JEEE Cc1c(B2OC(C)(C)C(C)(C)O2)cccc1C(=O)N1C[C@H](O)C[C@@H](NC(=O)OC(C)(C)C)C1 2282110884 RNKFAWMGAUVCKZ-IAGOWNOFSA-N 460.380 2.394 30 10 JEEE Cc1ccc(C(=O)N2C[C@@H](NC(=O)OC(C)(C)C)C[C@@H](O)C2)cc1B1OC(C)(C)C(C)(C)O1 2282120581 JBTKBCSIPYLKFJ-ZWKOTPCHSA-N 460.380 2.394 30 10 JEEE COC1(CCNC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2282177770 JFYYKQPJVHORTF-UHFFFAOYSA-N 461.368 2.137 30 10 JEEE CC(C)(C)OC(=O)NCCN1CCN(C(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)CC1 2282186712 YJAJTEWUHZBGHI-UHFFFAOYSA-N 459.396 2.268 30 10 JEEE C[C@H](NC(=O)c1c(F)cccc1B1OC(C)(C)C(C)(C)O1)C1(O)CN(C(=O)OC(C)(C)C)C1 2282465319 GUPVGBCQAYXMOZ-AWEZNQCLSA-N 464.343 2.225 30 10 JEEE Cn1cc(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)C(C)(C)C2)nc1B1OC(C)(C)C(C)(C)O1 2282544338 SCVNKVNZTJMNDC-OAHLLOKOSA-N 462.400 2.485 30 10 JEEE Cc1c(C(=O)NC[C@@H]2[C@@H]3C[C@H]3CN2C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282588695 WPRSDFVBZYJWRJ-ARFHVFGLSA-N 460.384 2.013 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NCCO[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2282643551 BYCPPPIQYCYAKH-QGZVFWFLSA-N 463.384 2.080 30 10 JEEE 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)cn1C 2282688136 PFABAFSHLUUCOC-WWGRRREGSA-N 457.302 2.242 30 10 JEEE O=C1SC(=Cc2ccc([N+](=O)[O-])cc2)C(=O)N1CCN=C1NS(=O)(=O)c2ccccc21 2297512126 JJWSYYVMUMMDSG-UHFFFAOYSA-N 458.477 2.370 30 10 JEEE COc1ccc(C(O)=C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(OC)cc2)cc1 2297739671 LFXCSCLVTRYACO-JOCHJYFZSA-N 452.507 2.458 30 10 JEEE CNC(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)[C@@H]1C[C@@H]1B1OC(C)(C)C(C)(C)O1 2343295404 OGBUUCMLOMMQKG-OAGGEKHMSA-N 451.373 2.053 30 10 JEEE C=CCN(C)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)CC)cc2)cc1 603986164 BJTFYKBIVMGSPB-UHFFFAOYSA-N 458.583 2.088 30 10 JEEE C#CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC[C@@](O)(C(=O)O)C1 757344917 FCEIUTBVAYGHRM-GJZUVCINSA-N 462.502 2.355 30 10 JEEE C#CCOCCN(C)C(=O)[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 757491551 PXORKVKDTDHYHK-JOCHJYFZSA-N 450.491 2.477 30 10 JEEE CCOc1ccc(C=NNc2nc(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)n[nH]2)cc1 1083889001 FXJMBDOUJIZORG-UHFFFAOYSA-N 475.556 2.028 30 10 JEEE C#CCCCn1c(-c2ccc(Br)cc2)nnc1N1CCN(CC(=O)NCCOC)CC1 1286338738 HFUIGAKTUGKTNA-UHFFFAOYSA-N 489.418 2.006 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3OCC)n2C[C@H]2CCCN2CC)CC1 1286483881 CAKCRYOKNNVSPG-OAQYLSRUSA-N 452.603 2.495 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](NC(C)=O)C1 1286545715 ALZVABYVFAEYHA-GGPKGHCWSA-N 453.547 2.012 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C(=O)NC)CC1 1286552283 PKFRIMVJKFOWIO-RXVVDRJESA-N 470.574 2.405 30 10 JEEE C=CC1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CC(=O)NCC(F)(F)F)CC1 1286662146 YJMDZTFDNQGVER-UHFFFAOYSA-N 485.536 2.319 30 10 JEEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1286666339 IRYMNWIPHOQQMK-UHFFFAOYSA-N 473.666 2.497 30 10 JEEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(Nc2cccnn2)CC1 1286770297 IBEBFFHPVRFYJP-UHFFFAOYSA-N 468.587 2.252 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1286780501 WPDKMGSNYRUEJB-GFCCVEGCSA-N 490.328 2.411 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)N2CCCC2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1286797408 WXSMYOVSUZKEEH-IBGZPJMESA-N 473.599 2.141 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1286822583 GNOHCCUJOJEBIA-SJORKVTESA-N 482.946 2.225 30 10 JEEE C=CCS(=O)(=O)CCn1c(CSc2ccc(Cl)cc2)nnc1N1CC(=O)N(C)[C@H](C)C1 1286824163 VRFKHYAVBGGKBG-OAHLLOKOSA-N 484.047 2.492 30 10 JEEE CC(C)[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1287152563 DWHUKVFPLGRAIA-KNQAVFIVSA-N 461.588 2.149 30 10 JEEE CCC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(C(N)=O)CCOCC2)CCO1 1294095365 BLDFIHAXLJVMSB-FQEVSTJZSA-N 468.558 2.016 30 10 JEEE C#CC[C@@H](CO)NC(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1I 1298689316 HXHDDAKBEARLMF-WFASDCNBSA-N 458.296 2.357 30 10 JEEE C#CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCCN(CC)C(=O)C1 1300358299 QANHZWHMAXUEGO-UHFFFAOYSA-N 457.604 2.100 30 10 JEEE C#CCN(c1nnc(CC)n1Cc1ccc(-n2ccnc2C)c(F)c1)[C@H]1CCS(=O)(=O)C1 1300498601 LYBJDXWRCGXWDK-SFHVURJKSA-N 456.547 2.149 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC2CCN(CCN(C)C)CC2)CC1 1300690661 FRURCOTVRUDUSX-UHFFFAOYSA-N 471.053 2.022 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H]2CCCO[C@@H]2C(C)C)CC1 1300716343 LDEINRDBFBHYBM-DRLORSAXSA-N 487.645 2.347 30 10 JEEE C=C(Cl)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCN(C(=O)OC)CC1 1301050019 IFVZXQXCASUUEW-UHFFFAOYSA-N 474.009 2.284 30 10 JEEE C=C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCNS(=O)(=O)c2ccccc2)CC1 1301098483 NDBYADJJKDXMAG-ICSRJNTNSA-N 461.588 2.137 30 10 JEEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H](C)CN1CCOCC1 1301270854 MLUZVUGJMKFAFE-KRWDZBQOSA-N 461.636 2.137 30 10 JEEE CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)CCCO2)CC1 1305643457 HMJLTACZEZKGAJ-CLOONOSVSA-N 465.602 2.423 30 10 JEEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N2CCCCC2)C[C@H]1C 1316125263 HSMFIZKWZHMJBB-HXUWFJFHSA-N 465.602 2.376 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H](C(C)C)N1CCOCC1 1358885935 UNFBAODENHFXMV-WIYYLYMNSA-N 463.586 2.007 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccccc1N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1358955350 KJOYMTQDZHFWMF-FQEVSTJZSA-N 471.627 2.087 30 10 JEEE C#CCN(c1nnc(-c2ccc(Br)s2)n1C[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1358958536 QLEMULAULUNFBN-KBPBESRZSA-N 485.429 2.432 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccc(CN(CC)CC)cc1)[C@H]1CCS(=O)(=O)C1 1358963950 QIZIRLQLVPRMSN-PKTZIBPZSA-N 485.654 2.299 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CCN1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1358968120 ZSKLRRGFQUVQDW-NRFANRHFSA-N 489.617 2.355 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1nnnn1CC1CC1 1358993500 OVOANMBYDIZVQQ-FQEVSTJZSA-N 493.616 2.300 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2CC(C)(C)N2CCOCC2)CC1 1359047194 VWOTZQDSUBRRNR-UHFFFAOYSA-N 456.635 2.087 30 10 JEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1359055563 HXCQNCVPFXMBIV-NRFANRHFSA-N 463.611 2.180 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CC(=O)NC(C)C 1359098293 ZNTUBPAGRYTDHV-VGOFRKELSA-N 479.585 2.134 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2cc(Cl)ccc2C1 1359122129 ZOUCOKPIMAZBOK-GOSISDBHSA-N 451.980 2.403 30 10 JEEE C=C(C)COCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](OC)C1 1359132781 FHPXEPAUWLLZCP-ROUUACIJSA-N 451.568 2.404 30 10 JEEE C#CCN(c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCC)[C@H]1CCS(=O)(=O)C1 1507632766 AMPMMULGRMLPJA-ROUUACIJSA-N 481.619 2.013 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1Cc1ccc(F)cn1)[C@@H]1CCS(=O)(=O)C1 1507640422 SAQUZMAORJYIIZ-LJQANCHMSA-N 473.505 2.205 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@]1(O)CCOC1 1507665311 UZMXKXIBMUUSLF-OAQYLSRUSA-N 459.344 2.331 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCN(CC)C(=O)OC(C)(C)C)CC1 1507738977 JVGLJVRDBLPZMO-FQEVSTJZSA-N 488.633 2.395 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2CC2(S(C)(=O)=O)CCC2)CC1 1507741341 ZMDBUCWANLHDKF-UHFFFAOYSA-N 499.637 2.099 30 10 JEEE C=C(C)COCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)CC(=O)NC(C)(C)C 1507837614 TZZHSOCASIWXCV-UHFFFAOYSA-N 491.662 2.490 30 10 JEEE C=CC1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCN2CCOCC2)CC1 1507896940 KQYNPAMZARTELV-UHFFFAOYSA-N 459.616 2.473 30 10 JEEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1507965957 SRJLTXZOMZYMOV-YKSBVNFPSA-N 498.676 2.111 30 10 JEEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1508047283 DSAAEBSIYQGDNR-PNLZDCPESA-N 461.588 2.154 30 10 JEEE C=CCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)CC(C)(C)CN1CCOCC1 1508060669 BPARRZWNTDSTSO-UHFFFAOYSA-N 454.623 2.433 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1508077239 XWRZVJQZBLGAEF-KBXCAEBGSA-N 471.493 2.129 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@@]2(C)CN(C)C2=O)C1 1508114824 CEOPDKAMAUUUEY-MZNJEOGPSA-N 471.558 2.231 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)Cc1c(C)nn(C)c1C 1508141807 ZSVQDFIIVHWWDX-UHFFFAOYSA-N 496.597 2.181 30 10 JEEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCC([C@@H]2CCCO2)CC1 1508143800 NZMNPFUQQVLMQF-SFHVURJKSA-N 493.655 2.266 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1508149222 QTCMWVYRJSYYEG-VAMGGRTRSA-N 495.690 2.491 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1CC[C@]1(O)C[C@H]2CC[C@H]1C2 1510153145 COTHERYYEAMPGH-ZPDADZDASA-N 472.615 2.338 30 10 JEEE CCn1cc([C@@H]2CN(c3nnc(COc4ccc(C#N)cc4)n3CC(=O)NC(C)C)CCO2)cn1 1515761992 DMGJDUZYOYREJV-NRFANRHFSA-N 478.557 2.048 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc(OC)c(OC)c1Cl 1538975070 XHJATFRZQXCTQW-UONOGXRCSA-N 469.995 2.260 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2CC2(CS(C)(=O)=O)CC2)c1 1539039426 CLKVJNBFYNWMSJ-UHFFFAOYSA-N 478.578 2.221 30 10 JEEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)N(C)C2CCCCC2)CC1 1539078742 GIORQTNDSPQITG-UHFFFAOYSA-N 483.661 2.117 30 10 JEEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccccc1CN1CCC(O)CC1 1539200620 MMBXJUDYUKVKPT-GMAHTHKFSA-N 453.587 2.077 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1Cc1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 1539204036 YAZGUQKEDPTYNH-ICSRJNTNSA-N 498.609 2.225 30 10 JEEE C#CCSCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1539497122 KKCNZMPOBIPRCI-JXFKEZNVSA-N 461.563 2.265 30 10 JEEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1539505970 GKPLASVBORYUAV-JOCHJYFZSA-N 457.556 2.360 30 10 JEEE C#CCSCCn1c(N2CCN(C(C)=O)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1539531251 TVJYNASRXJRAOP-HDICACEKSA-N 462.620 2.084 30 10 JEEE C=C(C)Cn1c(C2CCC2)nnc1N1C[C@@H]2[C@H](C1)[C@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1539701505 JNXAIUAUIOENSN-BRWVUGGUSA-N 451.593 2.248 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CCOCC 1540870679 UABUZTUBNWYHGI-QGZVFWFLSA-N 450.584 2.168 30 10 JEEE C=CCNC(=O)Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCN2CCOC[C@@H]2C1 1540874238 ZBVDEAOKIBQOCM-FQEVSTJZSA-N 489.020 2.075 30 10 JEEE COc1ccccc1NC(=O)CN1CCN(C(=O)CCc2c(C)nn(CCC#N)c2C)CC1 1546060657 FXTLQXKKQMGXLT-UHFFFAOYSA-N 452.559 2.138 30 10 JEEE CCC[C@H](C)C(=O)NCCn1c(-c2cccn2C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1546859063 HDUJCQQBPZKXQA-RBUKOAKNSA-N 490.616 2.213 30 10 JEEE CS(=O)(=O)N1CC[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(CC#N)CC2)C1 1555808593 CNMVEZOSBASKKV-HXUWFJFHSA-N 483.598 2.140 30 10 JEEE C=CCN1CC[C@@H](N(C)C(=O)c2cc(S(=O)(=O)Nc3ccccc3OC)ccc2O)C1=O 1556383508 SVBCBKQKEXRIDN-GOSISDBHSA-N 459.524 2.061 30 10 JEEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)c2cccc(SC(F)(F)F)c2)CC1 1565370633 HPPGCRZGWONJHS-ZDUSSCGKSA-N 450.508 2.154 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1587631757 FWUKEOCTUVHJCB-IPMKNSEASA-N 494.662 2.132 30 10 JEEE C#CCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(NS(=O)(=O)CC)CC1 1587835269 RABVBJLRHVUWFY-UHFFFAOYSA-N 459.572 2.038 30 10 JEEE C#CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1587847367 KRIPNUFEMLFRAI-SFHVURJKSA-N 497.625 2.167 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1Cc1ccc(NC(C)=O)nc1)[C@@H]1CCS(=O)(=O)C1 1588070359 ZINWRTMNEWWHJJ-JOCHJYFZSA-N 492.605 2.092 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@](O)(c1ccccc1)C(F)(F)F 1588385548 IJYIPSXMUJJZJM-BEFAXECRSA-N 456.490 2.090 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC(C)(C)C(=O)NCC)CC1 1588742593 SYCDNMTZWCJMDW-GOSISDBHSA-N 456.566 2.475 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCc2ccc(OC)c(F)c2)CC1 1588864471 DRJXHRWIIWFELR-UHFFFAOYSA-N 482.585 2.415 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CC(C)C)CC1 1588930527 YNDATVBVNAYSNM-UHFFFAOYSA-N 450.591 2.074 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C[C@@H]2CCOC2)C1 1589069015 HJEXBOZPPURSLA-GBESFXJTSA-N 452.646 2.190 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CCc2ccccc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1589556147 AFIKWBXDZYLKNN-GECPAALWSA-N 454.571 2.405 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@]1(O)CCS(=O)(=O)C1 1595109399 YRUHOMKPQJQRJF-DNQXCXABSA-N 490.626 2.061 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCOC[C@H](C2CCC2)C1 1595577443 RZGSIAYQTFHGKC-HXUWFJFHSA-N 450.543 2.284 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1595639562 CFSSWNQCQFOKHY-OALUTQOASA-N 452.559 2.277 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 1595823675 QAIZJZVINMYMCK-RTWAWAEBSA-N 471.583 2.477 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CCSC3(CC(C(=O)OC)C3)C2)s1 1603502850 XTPBNXGGBMUCDP-BIWSTMPVSA-N 458.627 2.089 30 10 JEEE C=C1C(=O)O[C@@H]2C=C(C)[C@H](OC(C)=O)CC=C(COC(C)=O)C[C@@H](OC(=O)/C(C)=C/CO)[C@H]12 1615811910 HPWMABTYJYZFLK-SEVFNUNFSA-N 462.495 2.096 30 10 JEEE biogenic C=CCNS(=O)(=O)c1cccc(C(=O)N(C)[C@H]2CS(=O)(=O)c3ccc(Cl)cc32)c1 1631234439 PECKBUHCTVJXTR-KRWDZBQOSA-N 454.957 2.405 30 10 JEEE C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCN(C(=O)COc2ccc(Br)cc2)CC1 1636327939 PMULQISPNOTUEF-YJBOKZPZSA-N 452.349 2.273 30 10 JEEE C=C1CCC(CNC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C\c2ccccc2)CC1 1644303100 ZWEHRLLBIBBKIA-LFDGNKEFSA-N 454.614 2.243 30 10 JEEE CC(C)N1CCC(N2CCN(C(=O)N[C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)CC2)CC1 1681514790 CFYFYCACUDJLLL-HSZRJFAPSA-N 452.603 2.254 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1CC1CCN(C(C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1689986497 REKQTKOWIMVXOW-OAQYLSRUSA-N 469.611 2.139 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccc(OC(F)(F)F)cc1)[C@H]1CCS(=O)(=O)C1 1689991331 ZTHHUPKVEPFMQA-SJORKVTESA-N 484.500 2.356 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCC[C@@H]1CC)[C@H]1CCS(=O)(=O)C1 1689998227 GGPZSVVZCBKGHD-SXYSDOLCSA-N 464.632 2.455 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2CC2([S@@](C)=O)CCC2)CC1 1690148345 DGJYOKHWYRVEEX-MGBGTMOVSA-N 471.602 2.275 30 10 JEEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1cccc(F)c1)C1CC1 1690175510 YUDCYRBWVOZHLL-FQEVSTJZSA-N 493.630 2.286 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1690195715 PAHKXQPKIACTPX-OWAUWMPXSA-N 469.561 2.406 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(N2CCCCC2=O)CC1 1690236061 HYCLEGRLSQQSTI-RXVVDRJESA-N 458.607 2.379 30 10 JEEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)NCc2ccc(C)c(F)c2)CC1 1690274859 GRMPQMHZUHRIMG-KRWDZBQOSA-N 492.621 2.445 30 10 JEEE C=C(C)COCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(S(C)(=O)=O)CC1 1690319169 FISKUCBFVUWWOC-UHFFFAOYSA-N 459.572 2.335 30 10 JEEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2cc(C)no2)CC1 1690419999 HVRHNQPOGPQJKU-KRWDZBQOSA-N 465.624 2.109 30 10 JEEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCS(=O)(=O)C(C)(C)C 1690518586 ORRQLIWGCNVUHK-UHFFFAOYSA-N 469.633 2.031 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)c1cccc(Cl)c1)C1CC1 1690545248 MHISCEVWQLYDTF-SIKLNZKXSA-N 496.033 2.327 30 10 JEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1Cc2ccc(Br)cc2C1 1690644427 KFMAZRNNLILALZ-MRXNPFEDSA-N 468.377 2.080 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 1690674274 VKXZHASYXMUIHR-UHFFFAOYSA-N 456.532 2.179 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(Cc2cccs2)CC1 1690675974 LKTUUTAGYBDUFN-UHFFFAOYSA-N 477.594 2.415 30 10 JEEE CC(C)Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1Cc1ncccc1N(C)C 1692218531 GWRBTHNSKDBLSR-GOSISDBHSA-N 460.590 2.363 30 10 JEEE Cc1nc(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCN(CC(F)(F)F)[C@@H](C)C2)n[nH]1 1693366364 AOPLBRDXBWYRGN-HNNXBMFYSA-N 489.506 2.471 30 10 JEEE COc1ccccc1SCc1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CCCN1CCCO 1697627680 CZNOFFUUYNZDTK-RTBURBONSA-N 472.615 2.155 30 10 JEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1CCC(=O)NCCC)[C@H]1CCS(=O)(=O)C1 1705571029 UPHAIGNMICHQPP-IBGZPJMESA-N 478.018 2.065 30 10 JEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1705581621 GVTNLDFFOXYINY-FGZHOGPDSA-N 490.656 2.413 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(OC)ccc2Br)n1C[C@@H]1CCS(=O)(=O)C1 1705623153 IHDFLYPYLCBXNH-HNNXBMFYSA-N 497.415 2.237 30 10 JEEE C=C(C)COCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCCN(C(=O)C(C)C)CC1 1705736510 VHLBAWVXBGERHL-UHFFFAOYSA-N 493.612 2.479 30 10 JEEE C=C(C)COCCn1c(N2CCN(c3cccnn3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1705740236 GEFVMEBXZSQYQD-QHCPKHFHSA-N 457.579 2.028 30 10 JEEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C[C@@H](c1cccs1)N1CCOCC1 1705747876 XAJJRPROZURBFT-CVEARBPZSA-N 489.067 2.212 30 10 JEEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 1705824812 AWLPJBWXPWQHKR-SFHVURJKSA-N 471.558 2.178 30 10 JEEE C=CCn1c(-c2cc(OC)ccc2Br)nnc1N1CCO[C@@H](CNC(C)=O)C1 1705888084 DRYBXQFEQCJCSO-HNNXBMFYSA-N 450.337 2.244 30 10 JEEE CCC1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)Cc2ccc(C#N)cc2)CC1 1708884195 BVMMXBKJYAQIPQ-IBGZPJMESA-N 458.588 2.309 30 10 JEEE CCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1Cc1ccc(OCCN(C)C)cc1 1709137691 BMKMQGUPPAROPX-UHFFFAOYSA-N 460.586 2.422 30 10 JEEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)c2c(F)cccc2F)CC1 1722317163 CQHLBMWEMFBKHC-UHFFFAOYSA-N 470.524 2.445 30 10 JEEE C#CCCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1722329127 DXOANFOJFXRFDZ-KRWDZBQOSA-N 461.588 2.236 30 10 JEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1722338863 TXDWDGLLOKNAOH-UHFFFAOYSA-N 484.611 2.390 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCN(C)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1722360837 WNFMUKTWQHKWIM-KRWDZBQOSA-N 477.587 2.340 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@]1(C)CCCS1)[C@H]1CCS(=O)(=O)C1 1722365799 PKOADJYCUZFDCI-BWAGFHJFSA-N 482.672 2.231 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1OCC1CC1 1722396214 GUQNWGGVSZRPBD-NRFANRHFSA-N 452.580 2.480 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 1722494954 TYDCNDFTIGJPIL-UYAOXDASSA-N 475.615 2.437 30 10 JEEE C=CCCCn1c(-c2cccn2C)nnc1N1C[C@@H]2[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1722613797 PZDJKLFRHNDTPF-ZIFCJYIRSA-N 490.630 2.376 30 10 JEEE C=CCOc1ccc(Cn2c(CN3CCCC3=O)nnc2N2C[C@H](C)O[C@H](COC)C2)cc1 1722704342 GUEOSGBWIOPWCE-RXVVDRJESA-N 455.559 2.254 30 10 JEEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1722743491 ZYEIBQMOHNBRJO-KRWDZBQOSA-N 480.635 2.050 30 10 JEEE CCOC1CC(CCn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N2CCO[C@@H](C#N)C2)C1 1728912953 DRYYLNPFJLRMCF-UUKMXZOPSA-N 488.614 2.129 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)o2)n1Cc1cccc(C(=O)NCC)c1)[C@@H]1CCS(=O)(=O)C1 1740620092 UGXQMKDWEDJOQG-HXUWFJFHSA-N 481.578 2.271 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2C[C@H]2CCN(CC)C2)CC1 1740703907 GWWAYEVOEQZXHC-IBGZPJMESA-N 450.587 2.261 30 10 JEEE C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 1740862268 OLIABVVCXHGWJH-HXUWFJFHSA-N 469.565 2.485 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1740965474 PYIFVKZGYGYLQM-RTBURBONSA-N 486.642 2.038 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H]3CCCOC3)nnc2N2CCC(NS(C)(=O)=O)CC2)cc1 1740967511 ISWORVPHXZKHBX-LJQANCHMSA-N 475.615 2.303 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3nn(CCC)c(=O)c4ccccc34)n2CC(=O)NC(C)C)C1 1740978742 BQALADOVHPBIBT-GOSISDBHSA-N 479.585 2.371 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCN(CC2CCOCC2)CC1 1740995072 YQZUVRCWXGAYMZ-UHFFFAOYSA-N 479.672 2.080 30 10 JEEE C=CCSCCn1c(-c2ccccc2OC)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1740999488 JPFGMGAAEBBBAU-UHFFFAOYSA-N 472.615 2.447 30 10 JEEE C=CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(S(C)(=O)=O)CC1 1741002151 IAYHOSHRXZFMSD-UHFFFAOYSA-N 457.572 2.148 30 10 JEEE CC(C)n1nc(-c2nnc(N(C)C[C@H](C)C#N)n2C[C@@H]2CCS(=O)(=O)C2)c2ccccc2c1=O 1741129560 FGLBAFGMKHFJMD-SJORKVTESA-N 483.598 2.266 30 10 JEEE CC[C@H]1C[C@@H](C)CN1c1nnc(COc2ccc(C#N)cc2)n1CCN1CCCS1(=O)=O 1744840045 GZUDWNCRBPPXEJ-MJGOQNOKSA-N 458.588 2.389 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)Nc3ccccn3)n2CC(C)(C)OC)c1 1748689518 CFJXUNQRHSLVTR-UHFFFAOYSA-N 461.526 2.407 30 10 JEEE C#CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCCN(S(C)(=O)=O)CC1 1748750608 LAZAHFHTCVIPTO-UHFFFAOYSA-N 494.662 2.278 30 10 JEEE COc1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCNC(=O)C(C)C)c(OC)n1 1748792583 DGQLHYLFSMSHJG-UHFFFAOYSA-N 463.542 2.486 30 10 JEEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[C@@H](C(F)F)N1CCOCC1 1748802306 BSSLASPJINHUMZ-KSZLIROESA-N 482.576 2.474 30 10 JEEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1OCC(F)(F)F 1748905321 CQLBCHVADHOEIJ-AWEZNQCLSA-N 459.494 2.337 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CC2([S@@](C)=O)CC2)CC1 1749005916 AYBBQGFNHDZUOO-PGUFJCEWSA-N 499.637 2.229 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)s2)n1C[C@]1(O)CCS(=O)(=O)C1 1749058639 MUDZCLQUXIHJGM-QZTJIDSGSA-N 485.429 2.311 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)CCc1nccs1 1749119089 NCQUXBYBAVXVLQ-VYDXJSESSA-N 454.622 2.005 30 10 JEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)CCC2CCCC2)CC1 1749226363 OXYCYNSOXCPOFZ-HXUWFJFHSA-N 458.607 2.441 30 10 JEEE C=C(Cn1c(CN2CCCC2=O)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C)c1ccccc1 1749246040 FGQCAYNDOWXODW-IRLDBZIGSA-N 480.613 2.481 30 10 JEEE CC(C)N(C)CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)CC1 1750875685 DBZLCAPYOPXXIG-UHFFFAOYSA-N 473.647 2.265 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@@H](C)c1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1760182833 MXQULVOLNQWCMD-BEFAXECRSA-N 490.630 2.232 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@@H]1CCC[C@@H](O)C1)[C@H]1CCS(=O)(=O)C1 1760187906 YSSIAYHQORRWMN-BAGYTPMASA-N 456.612 2.355 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1ccccc1COC)[C@H]1CCS(=O)(=O)C1 1760189302 UAYATXKGRPGESX-SFTDATJTSA-N 458.584 2.341 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1c[nH]c2cc(C)ccc12 1760235379 LIALUJOROGPJFG-OAQYLSRUSA-N 470.599 2.103 30 10 JEEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1760285927 VRHYPYRACUVUBO-IBGZPJMESA-N 465.583 2.135 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(F)ccc2Br)n1CCS(=O)(=O)NC 1760289847 XGLVILKPWKMTFC-GOSISDBHSA-N 470.368 2.388 30 10 JEEE C=C(Br)Cn1c(COc2ccc(OC)cc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1760311880 CXXUFDKYQCPKBE-RHSMWYFYSA-N 462.348 2.489 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 1760312841 FLGICRZWLQTJNW-BZSNNMDCSA-N 473.578 2.482 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1760412676 PKKCQJMFQQYPOP-JKSUJKDBSA-N 450.565 2.052 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@@H](COC)C1 1760554418 DDGYOOOASHWPIA-XLIONFOSSA-N 462.572 2.254 30 10 JEEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1760569340 LOEBWBKBVSDKBG-LJQANCHMSA-N 483.646 2.457 30 10 JEEE C[C@H](C#N)CN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCN1CCC[C@H]1C(=O)N(C)C 1760692353 DYILSTORSLDCLN-QUCCMNQESA-N 481.601 2.255 30 10 JEEE CCc1ccc(CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C#N)CC2)cc1 1762620239 GGVYHCAGQBHHIJ-OAQYLSRUSA-N 472.615 2.156 30 10 JEEE C=CCNC(=O)[C@H]1C[C@H](O)CN1C(=O)c1ccc2c(c1)C(=O)N(c1c(CC)cccc1CC)C2=O 1861531842 OQZNXDYPDMTIQT-SIKLNZKXSA-N 475.545 2.490 30 10 JEEE C=CCn1cc(OCC(=O)OCCC)c(=O)cc1CN1CCN(Cc2ccc3c(c2)OCO3)CC1 1870331409 BNAYQAJQRZQGFX-UHFFFAOYSA-N 483.565 2.413 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)N(C)C[C@H]2CCCO2)cn1Cc1cccnc1 1870550843 URQVFGXTPPXATI-HSZRJFAPSA-N 466.582 2.482 30 10 JEEE CCCCCCCCn1cc(OCC(=O)N2CCOCC2)c(=O)cc1CN1CCC(C(N)=O)CC1 1870581876 HHRCKURKGXPPKH-UHFFFAOYSA-N 490.645 2.144 30 10 JEEE COc1ccc(/C=N/n2c(Cc3ccc(OC)c(OC)c3)nnc2SCC(N)=O)c(OC)c1 1874237584 ACJPMCAIXNKSKP-WYMPLXKRSA-N 471.539 2.363 30 10 JEEE CCCNC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1ccc([N+](=O)[O-])cc1 1874336406 BOGUFHBCBFBGMW-IMQYADFFSA-N 473.559 2.411 30 10 JEEE CCN1CCN(CC#CCOC2CCN(C(=O)[C@@H]3CCc4cc(OC)ccc4C3)CC2)CC1 1889450238 QOLHQPNAGHZLMA-XMMPIXPASA-N 453.627 2.449 30 10 JEEE COC1CC(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)(N(C)C(=O)OC(C)(C)C)C1 2180981770 XGBFJOUAZRUDSU-UHFFFAOYSA-N 462.356 2.129 30 10 JEEE CC1(C)OB(c2ccc(NS(=O)(=O)CCN3C(=O)c4ccccc4C3=O)c(F)c2F)OC1(C)C 2223448620 INELVBCRFLNNSC-UHFFFAOYSA-N 492.309 2.302 30 10 JEEE C=C(CS(=O)(=O)NCC[C@@H]1CN(Cc2ccccc2)CCO1)B1OC(C)(C)C(C)(C)O1 2255793865 DEZYJQDLEQPFMJ-HXUWFJFHSA-N 450.410 2.385 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1[C@@H]2CN(S(=O)(=O)c3cscc3B3OC(C)(C)C(C)(C)O3)C[C@@H]21 2255796076 LGKLSAGMSUMWTQ-VIKVFOODSA-N 470.422 2.191 30 10 JEEE Cc1c(B2OC(C)(C)C(C)(C)O2)csc1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O 2255871934 PWNXYWNVSMURAV-HUUCEWRRSA-N 452.382 2.066 30 10 JEEE Cc1cc(S(=O)(=O)N(CCC(N)=O)Cc2ccccc2)sc1B1OC(C)(C)C(C)(C)O1 2255933224 LHBNGPOWNHWSDY-UHFFFAOYSA-N 464.418 2.422 30 10 JEEE CC(C)(C)OC(=O)N1[C@H]2C[C@@H]1CN(S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)C2 2255952959 AXWQTSXHPGRVFC-OKILXGFUSA-N 470.422 2.430 30 10 JEEE C[C@H]1CC[C@@H](CNC(=O)C(F)(F)F)N(C(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C1 2267160299 WDAZVOIAPILDLK-RYUDHWBXSA-N 461.315 2.362 30 10 JEEE CC1(C)OB(c2cnc(C(=O)N[C@@H](COCc3ccccc3)C(=O)O)c(Cl)c2)OC1(C)C 2269069224 YGKTWZDFYOQWQO-KRWDZBQOSA-N 460.723 2.434 30 10 JEEE CO[C@](C)(CNC(=O)c1c(C)nn(C)c1B1OC(C)(C)C(C)(C)O1)COCc1ccccc1 2282002003 IZMNLEMDTAIQQP-XMMPIXPASA-N 457.380 2.379 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](CNC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)OCC12CC2 2282020477 YVYNSYJVZSDPON-AWEZNQCLSA-N 479.408 2.341 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@]23CCCN(C(=O)OC(C)(C)C)C[C@H]2C3)n1 2282037147 RMRRLUVBZYGZHZ-CMJOXMDJSA-N 460.384 2.239 30 10 JEEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC1(C)CCN(Cc2ccccc2)CC1 2282185857 MSRSWWVUXUAFCL-UHFFFAOYSA-N 453.396 2.146 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H]2COC[C@@H](C1)N2C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)o1 2282198628 AMCKYWLTWHGGLO-JKSUJKDBSA-N 462.352 2.429 30 10 JEEE Cn1cc(C(=O)N2C[C@@H](NC(=O)OC(C)(C)C)C3(CCC3)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2282578335 QIHZIWFKHXQXCI-MRXNPFEDSA-N 460.384 2.239 30 10 JEEE Cn1nc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC(F)(F)C2)cc1B1OC(C)(C)C(C)(C)O1 2282611783 PMYBPICMNKPOKU-UHFFFAOYSA-N 470.326 2.048 30 10 JEEE CC(C)(C)OC(=O)NCCn1cc(C(=O)NCc2sccc2B2OC(C)(C)C(C)(C)O2)nn1 2283968838 AAJXDROVPBZSIJ-UHFFFAOYSA-N 477.396 2.094 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(CN(C)C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)s1 2283979755 ROWZTBDBNNVZAK-HNNXBMFYSA-N 481.424 2.083 30 10 JEEE CN(C(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1F 2320552478 CLYNGEGZSRRXCO-KBPBESRZSA-N 455.361 2.472 30 10 JEEE COc1ccc(C=Nn2c(Cc3ccc(OC)c(OC)c3)nnc2SCC(N)=O)c(OC)c1 2326737702 ACJPMCAIXNKSKP-UHFFFAOYSA-N 471.539 2.363 30 10 JEEE C=CCN(CC=C)c1nc(NC(=O)C=Cc2ccc(C(=O)OC)cc2)n([C@@H]2CCS(=O)(=O)C2)n1 2331674754 IAXKVLJDCYVQQU-LJQANCHMSA-N 485.566 2.255 30 10 JEEE CO[C@@H]1[C@H](OC)CN(C(=O)OC(C)(C)C)[C@H]1C(=O)N1CC[C@@H](B2OC(C)(C)C(C)(C)O2)C1 2342485729 OFXBQGCVQIXXTK-QBPKDAKJSA-N 454.373 2.330 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1[C@H]2CC[C@H]1CN(Cc1ccccc1)C2 2362343546 HSKDDQDVOCFPGG-OALUTQOASA-N 450.392 2.360 30 10 JEEE CC(C)(C)OC(=O)N1CCCN(CCNC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)CC1 2362563031 WRIJHTCQLJVJPZ-UHFFFAOYSA-N 480.440 2.115 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(C)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1F 2369669046 IAFRDUKISNVLPF-HZPDHXFCSA-N 466.363 2.232 30 10 JEEE CCOC(=O)C1=C(C)NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 20350980 KFSJSXGNFDTNGM-FJVYXFCJSA-N 472.450 2.500 30 10 JEEE C/C(=N\Nc1nc2c(c(=O)n(C)c(=O)n2C)n1C[C@@H](O)COc1ccc(C)cc1)c1ccccc1 33850658 CTFUWBSXFQDTGW-IPISDEMTSA-N 476.537 2.018 30 10 JEEE CC(C)CCOc1ccc([C@@H]2c3c(nc(N4CCC(C(N)=O)CC4)[nH]c3=O)NC(=O)[C@@H]2C#N)cc1 72443925 WXTHHSDCDDRUSR-MOPGFXCFSA-N 478.553 2.120 30 10 JEEE N#C[C@@H]1C(=O)Nc2nc(NCc3ccc4c(c3)OCCO4)[nH]c(=O)c2[C@H]1c1cc([N+](=O)[O-])ccc1F 72472539 FAFLTGXUXGUABA-KSSFIOAISA-N 492.423 2.424 30 10 JEEE COc1ccc(OC)c([C@H]2/C(=C(/O)c3c(C)nn(C)c3C)C(=O)C(=O)N2CCCN(C)C)c1 102746109 SWKFCJMAEMCTCR-AGGMBTAESA-N 456.543 2.428 30 10 JEEE C=CCN(C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C)c1nc(C(=O)OCC)cs1 501949088 NGZMDZWICQWUQK-UHFFFAOYSA-N 479.580 2.482 30 10 JEEE C[C@H](C(=O)c1ccc2c(c1)N(C)C(=O)CO2)[S@@](=O)CC(=O)Nc1sc2c(c1C#N)CCC2 586354313 YEBIKDHXBWFZRV-GGQVQLDRSA-N 471.560 2.422 30 10 JEEE CC(=O)N[C@@H](CS)C(=O)Nc1cc(I)cc(I)c1 709782669 MSRZOKNPBGQTFF-JTQLQIEISA-N 490.104 2.269 30 10 JEEE CC1(C)O[C@@H]2C[C@@H]3[C@H]4C[C@@H](F)C5=CC(=O)C=C[C@]5(C)[C@]4(F)[C@H](O)C[C@@]3(C)[C@@]2(C(=O)CO)O1 1076382921 FEBLZLNTKCEFIT-ATVUVPMFSA-N 452.494 2.367 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1286281772 IXBUCSZWCLMDRK-MBSDFSHPSA-N 460.600 2.378 30 10 JEEE C#CCSCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)[C@@H](C)CC(N)=O 1286504134 IRQCBINUFKQLOI-INIZCTEOSA-N 467.599 2.302 30 10 JEEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CC[C@H](CN2CCOCC2)C1 1286506675 ZIFYSJWRMNIINT-HXUWFJFHSA-N 455.628 2.402 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1286558879 RRSONCRXOZOQCR-CVDCTZTESA-N 488.658 2.495 30 10 JEEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2ccccc2F)C1 1286601342 UIXIHDWGBVKMEO-QFBILLFUSA-N 467.567 2.198 30 10 JEEE C=CCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1286667370 QSGZISXALKJFNM-KRWDZBQOSA-N 452.625 2.023 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1286780476 VQOKYQBQVQNDJJ-UHFFFAOYSA-N 490.406 2.319 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1286781183 VWNVWDITPUOUHM-ICSRJNTNSA-N 499.591 2.442 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCN(C(=O)OC)CC1 1286781898 DGWMOFSWBLBMII-OAHLLOKOSA-N 458.588 2.322 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1286782490 WOGJDJXNPMTNHG-OAHLLOKOSA-N 495.447 2.230 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N(CCO)Cc1ccc(Br)s1 1286787520 GUQJLPSJZIHKCE-AWEZNQCLSA-N 484.420 2.297 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2C[C@H](C)N(C)C)C1 1286809272 QNYCAAWGDVMJJD-ROUUACIJSA-N 451.575 2.406 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCCN(c2nc(CC)ns2)CC1 1286817980 AASVEPXOISQDAK-UHFFFAOYSA-N 476.632 2.005 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(CC(=O)Nc2cccc(C)c2C)CC1 1286819363 HZLZPXGXSOVXBL-UHFFFAOYSA-N 486.642 2.134 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCCc2ccccc2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1286821864 CJPQDNSZVJFYKO-HYBUGGRVSA-N 474.627 2.438 30 10 JEEE CC(=O)NC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCCC(C)(C)C2)CCO1 1286941238 HYEIQVGZUJAZCP-QFIPXVFZSA-N 465.602 2.280 30 10 JEEE CCS(=O)(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnccc2OC)CC1 1297747064 HYVHFDQNLFBIPG-UHFFFAOYSA-N 481.582 2.177 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2CCCN2CCOC2=O)c1 1300332384 DAYURCQFAKJQCU-UHFFFAOYSA-N 459.510 2.239 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1CCc1cnc2c(Cl)cnn2c1)[C@H]1CCS(=O)(=O)C1 1300483370 JPIWZGUOGLHIBF-WBVHZDCISA-N 476.006 2.357 30 10 JEEE C#CCN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H](N1CCOCC1)C(F)(F)F 1300620558 CDQMDOCCJCDCEJ-QGZVFWFLSA-N 475.475 2.317 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2C[C@H]2CCN(CC)C2)CC1 1300727114 WANXXERPLVPFQA-FQEVSTJZSA-N 464.614 2.185 30 10 JEEE C=C(C)COCCn1c(COc2ccc(OC)cc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1301000705 XCTFGIRLNKQHPA-UHFFFAOYSA-N 466.542 2.115 30 10 JEEE C=CCCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(CC(=O)N(C)C)CC1 1301189090 RDRXSPXPPUZQGG-NRFANRHFSA-N 454.575 2.357 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1CCS(=O)(=O)CC1 1301363707 YUBAIFCNKDZCTD-KRWDZBQOSA-N 484.669 2.259 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(c2ccccc2CO)CC1 1301477419 AIGKDWPZBZLDHX-UHFFFAOYSA-N 475.553 2.104 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC[C@@H](CC(N)=O)C1 1301490798 ZZRKHUMGWRNRJP-HNNXBMFYSA-N 475.391 2.410 30 10 JEEE C=CCS(=O)(=O)CCn1c(N(C)C2CCC3(CC2)OCCO3)nnc1[C@@]1(OC(C)C)CCOC1 1301593698 SONJRCKUFZAEKF-JOCHJYFZSA-N 498.646 2.041 30 10 JEEE C#CC1(O)CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2I)C1 1304607170 VMKFDVABIZFFLX-AWEZNQCLSA-N 456.280 2.064 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCN(C)S(=O)(=O)CC 1358900652 POMMHQQWOSAUPA-KURKYZTESA-N 482.651 2.178 30 10 JEEE C#CCCCn1c(Cc2ccccc2C)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1358930743 CFYKFMYQROUOKI-QFIPXVFZSA-N 471.627 2.222 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCNC(=O)[C@H](C)CCC)[C@@H]1CCS(=O)(=O)C1 1358959476 JMDDNELNTXDCNX-SJLPKXTDSA-N 493.033 2.173 30 10 JEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1CSCCS1 1358978749 TYSDGQNHSSEKTH-LJQANCHMSA-N 453.641 2.374 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccnc(OCC(F)(F)F)c1 1359010795 ZOBIWRLGUCLMTM-OAHLLOKOSA-N 457.478 2.024 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnccn3)n2C[C@H]2CCO[C@H](C)C2)n1 1359027852 YCCXJGXANBWZBE-MOPGFXCFSA-N 450.547 2.033 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@]2(O)CCC[C@H]2C)CC1 1359042348 BYKRTLAKZKYIHB-DWXRJYCRSA-N 481.597 2.479 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1359101080 KBMXAYAMAVXIME-REWPJTCUSA-N 498.603 2.162 30 10 JEEE C=CCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1359288980 QAGKBTLLKHDWJT-ZRZAMGCNSA-N 467.662 2.374 30 10 JEEE CC(C)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1359930319 CQXYBDBLLZQSQM-KRWDZBQOSA-N 460.546 2.348 30 10 JEEE CC(C)NC(=O)Nc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@](F)(C#N)C2)cc1 1360303853 AKMSPCRCNYRJCR-JTSKRJEESA-N 454.510 2.249 30 10 JEEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)c1c(C(F)(F)F)cnn1C 1475676284 FWJFERUNJXEKCE-UHFFFAOYSA-N 450.483 2.462 30 10 JEEE CC[C@H](C)[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1494868546 AJCCDGLSBUIUGD-HTAPYJJXSA-N 460.604 2.086 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCN1CCCCCC1)[C@@H]1CCS(=O)(=O)C1 1507625457 JKODLFKLPZOGMH-OAQYLSRUSA-N 471.627 2.456 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1cc(C(C)(C)C)no1)[C@H]1CCS(=O)(=O)C1 1507633604 UDSLMZNCSZDEMS-WMZOPIPTSA-N 461.588 2.480 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCCO2)n1C[C@@H]1C[C@@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1507714333 NBYZKXBARXJFOD-FUMNGEBKSA-N 475.590 2.240 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2CC[C@@H](N2CCOCC2)C(F)(F)F)CC1 1507723949 AHZRNEMPNJRTAR-OAQYLSRUSA-N 494.537 2.416 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1507744282 QLARZWLVCUSAAP-UHFFFAOYSA-N 469.615 2.375 30 10 JEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1507745853 GIVHUWJINNDPMW-KRWDZBQOSA-N 488.639 2.174 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCS(C)(=O)=O 1507765876 WOZIDDBAHKMHCG-HSZRJFAPSA-N 468.583 2.273 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1507792907 BNEYJEWUBIAJSC-NNWRFLSQSA-N 455.559 2.276 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CCOCC)CC1 1507803242 FIWVGFKQSBUIDO-TZIWHRDSSA-N 469.590 2.065 30 10 JEEE C=CCCOCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCN(S(C)(=O)=O)CC1 1507957656 IXMIPTOJBYWYKV-UHFFFAOYSA-N 471.587 2.010 30 10 JEEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)CC2CCCC2)CC1 1507962692 VWASNNKCUJEKOW-HXUWFJFHSA-N 458.607 2.441 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(S(C)(=O)=O)CC1 1508072298 FJZIMCJROLLDQA-HNNXBMFYSA-N 482.006 2.387 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1508074494 SOVINUHNUCTWHA-GOSISDBHSA-N 470.375 2.186 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCCN(C(C)C)CC1 1508137404 ZUZZTMRMODDIDY-UHFFFAOYSA-N 477.631 2.484 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(Cc2csc(C)n2)CC1 1508141599 NNSCWTKWZMZBLK-LJQANCHMSA-N 480.660 2.208 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@](C)(O)c1cccs1 1510153916 FCLZRSCZTHHJMG-BTYIYWSLSA-N 474.612 2.366 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1539284740 BCXWYDZKSNEXST-FQEVSTJZSA-N 485.514 2.243 30 10 JEEE C#CCN(CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1(NC(=O)OC(C)(C)C)COC1 1539359481 IFAZSILRLHCSRN-UHFFFAOYSA-N 469.542 2.470 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](C2CC2)N(C)Cc2ccccc2)CC1 1539428613 USNDMYCPGRDTQL-HSZRJFAPSA-N 463.630 2.082 30 10 JEEE C#CCN1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CCN(C)[C@H](C)CC)CC1 1539445738 DFKAYPIFEYUNNV-HXUWFJFHSA-N 476.629 2.160 30 10 JEEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1539596260 KIHLEWXAVWBHPR-SFHVURJKSA-N 481.439 2.215 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1539615823 MGWAOHNNQOIIST-WTGUMLROSA-N 477.635 2.216 30 10 JEEE C=C(C)Cn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1539684888 LILNGKYXILDALP-GOSISDBHSA-N 482.585 2.320 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(C(N)=O)CCCC1 1540126777 ODNWRJIJJXGAES-IBGZPJMESA-N 457.600 2.419 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCCN(C(=O)C(C)C)CC1 1540874771 RNFJJDRDGAVKCS-UHFFFAOYSA-N 468.602 2.471 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCN(CCOC)[C@H](C)C2)cc1 1540877300 QCAVLZVYVXQLDM-HXUWFJFHSA-N 468.602 2.284 30 10 JEEE C=CCOc1ccc(Cn2c(-c3cnccn3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)cc1 1540878462 YBTIBOZWYRWMIP-IBGZPJMESA-N 454.556 2.362 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1540901279 YREXYOLNYUUIRA-UHFFFAOYSA-N 481.557 2.278 30 10 JEEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1540913879 WLIKYSCSSBDPPP-UHFFFAOYSA-N 451.556 2.322 30 10 JEEE CC(C)(C)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CCC(=O)N1CCOCC1 1541158624 HGDLQEYJFVJKHS-UHFFFAOYSA-N 469.565 2.162 30 10 JEEE CCC(O)(CC)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1546041575 HPXQTLBRNMSHQT-JOCHJYFZSA-N 495.628 2.023 30 10 JEEE CS(=O)(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CCCC2)C1 1555794347 CAQVHZVNKVUJRP-IBGZPJMESA-N 491.639 2.188 30 10 JEEE C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@H]2CC(=O)N(C(C)(C)C)[C@@H]2c2cnn(C)c2)c1 1561747248 JVEXTOBJQWVRPC-UTKZUKDTSA-N 473.599 2.003 30 10 JEEE C#CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](C(N)=O)C1 1587769427 HCMHPCZTYGIJNI-ROUUACIJSA-N 460.579 2.092 30 10 JEEE C#CCCCn1c(CC(C)C)nnc1N1C[C@@H]2[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1587862586 WWVIFBZGPLKKBO-FGTMMUONSA-N 465.620 2.017 30 10 JEEE C#CCCCn1c(N(C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)nnc1[C@]1(OCC)CCOC1 1587894122 NVVZELSSZFNSFS-VGSWGCGISA-N 461.588 2.188 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1CCOc1ccc(F)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1588046203 ZOPUABBTBBXYIV-MRXNPFEDSA-N 473.505 2.324 30 10 JEEE C#CCN(c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC(=O)NCC=C)[C@@H]1CCS(=O)(=O)C1 1588069630 RKMAOWOUWGIQNN-HXUWFJFHSA-N 499.637 2.084 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1588193311 ARFKZADKXOZENY-QGZVFWFLSA-N 490.427 2.452 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCc1n[nH]c(C)n1 1588637279 CJIIEPTYOTXCTL-SFHVURJKSA-N 472.594 2.148 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2CCCN2C[C@H](C)O[C@@H](C)C2)CC1 1588780973 ZHBOPKQMPOJMCX-SFTDATJTSA-N 452.603 2.208 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2CC2C[C@@H](C)O[C@H](C)C2)CC1 1588884549 DWQYVMSPSKFVAF-QZTJIDSGSA-N 472.634 2.366 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCCCCCO)CC1 1588908403 QJGCADUVLKSOQD-UHFFFAOYSA-N 467.570 2.235 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 1593746336 BKMKKHMMKJPZBA-SFHVURJKSA-N 491.614 2.073 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 1593746733 LWHKEWCSOMANLW-VSKRKVRLSA-N 474.650 2.192 30 10 JEEE C=CCCOCCn1c(N2CCN(C(=O)OC)[C@@H](C)C2)nnc1[C@]1(OC(C)C)CCOC1 1594829393 JEWQFAJBSKYQAY-AVRDEDQJSA-N 451.568 2.188 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Br)s3)n2CCS(=O)(=O)N(C)C)C1 1595689598 VRYYIVVDUMEIHK-ZDUSSCGKSA-N 490.449 2.442 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@H]2CCCS(=O)(=O)C2)C1 1595755229 UEOIIKYHLIVWFE-NQIIRXRSSA-N 476.599 2.472 30 10 JEEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)cc1 1597601567 MKNFKUWPJUNOSP-INIZCTEOSA-N 459.572 2.157 30 10 JEEE C#CCCN(CCOC)C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 1618712318 CDBKYHZELBVKAI-MRXNPFEDSA-N 457.390 2.348 30 10 JEEE COCC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(N(C)C)nc2)CC1 1619553141 DWSBMBTUMYVOOW-UHFFFAOYSA-N 474.569 2.057 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@@H](OCC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C1 1629505969 CJENEGPPLXSWDA-DLBZAZTESA-N 452.552 2.374 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CCCN(c3ccccc3F)C2=O)s1 1630645837 OPQQLMUWJQZIJN-MRXNPFEDSA-N 451.545 2.206 30 10 JEEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1c[nH]c2c(OC(F)(F)F)cccc2c1=O 1631744087 BOJWYRDPWVTETP-LBPRGKRZSA-N 458.400 2.439 30 10 JEEE Cc1[nH]nc(NC(=O)C2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)c1C#N 1641600334 CTSANTAWOXRDRJ-UHFFFAOYSA-N 458.363 2.453 30 10 JEEE C#CCNC(=O)C1CCN(S(=O)(=O)c2cc(Cl)ccc2OC[C@@H]2CCCCO2)CC1 1655103691 XVYXUKAQZKOAMF-SFHVURJKSA-N 454.976 2.438 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CCCC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1689983884 IHFVSEZFWDQLDZ-GOSISDBHSA-N 463.991 2.094 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1CCCN(C)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1689985966 GEIFGEMYGODMSZ-JOCHJYFZSA-N 480.638 2.432 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@H]1OCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1689992650 NQNJYPWVYZAUCY-VQTJNVASSA-N 460.575 2.450 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CCOCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1689993299 AJPFGFCARXHFPC-JOCHJYFZSA-N 465.579 2.107 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2C[C@H](COC)OC)CC1 1690117403 GLSONRDDEYPMPR-QGZVFWFLSA-N 478.391 2.133 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)c1ncc(C)s1 1690205906 BOZFDTAAWFKHJW-LDBYXDLTSA-N 478.644 2.172 30 10 JEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc(OC)c2)CC1 1690508417 IQNUPUJPPXEDLD-LJQANCHMSA-N 475.615 2.108 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC(O)(Cc2ccc(F)cc2)CC1 1690673053 MURXZWWMDBUHOU-UHFFFAOYSA-N 464.545 2.279 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Br)c3)n2CCS(=O)(=O)N(C)C)C1 1690687444 BLKGZSSOZDLPQW-QGZVFWFLSA-N 484.420 2.380 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@@H](COCC)C1 1690723686 YHIQSIGKHZBDMK-MRXNPFEDSA-N 472.571 2.058 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCCN1CCN(c2ccncc2)CC1 1705503656 AWMSPANUKUSRGP-FUDKSRODSA-N 467.618 2.067 30 10 JEEE C#CCN(c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1705563018 OWUISAHSSIANNX-JPYJTQIMSA-N 476.599 2.140 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@@H]1CSCCS1)[C@@H]1CCS(=O)(=O)C1 1705570328 OVKIMMXAGRCHCV-IAGOWNOFSA-N 483.710 2.109 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2Cc2cccnc2N2CCOCC2)CC1 1705644446 QWQQHJFQTPZRII-IBGZPJMESA-N 465.602 2.037 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2Cc2nccn2C(F)F)CC1 1705648403 VQLGQKXUQVGWSG-UHFFFAOYSA-N 454.485 2.254 30 10 JEEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1705660490 WPWZVKNQODFUKM-MJGOQNOKSA-N 452.588 2.263 30 10 JEEE C=C(C)COCCn1c(N2CC(=O)N(C)[C@@H](C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705740583 PWIRYXQKEDPNMR-OKZBNKHCSA-N 462.595 2.308 30 10 JEEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(N(C)C)Cc2ccccc2C1)C1CC1 1705849054 BABHJPPOZACNPL-KRWDZBQOSA-N 458.632 2.142 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@]1(O)CCSC1 1705863231 LGGHOEIXZSUOGI-MGPUTAFESA-N 469.608 2.088 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCCN(C(C)(C)C)CC1 1705906622 KSVLCAWTKHCFJL-UHFFFAOYSA-N 456.591 2.479 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 1705922379 LUWRXIPJNUEPDN-KSZLIROESA-N 460.579 2.410 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CCN(c2ncc(F)cn2)CC1 1705933998 YFKZWOFNLHSWAH-UHFFFAOYSA-N 485.589 2.364 30 10 JEEE CCCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1709844060 CMRDTHBUNNCHRL-UHFFFAOYSA-N 467.965 2.056 30 10 JEEE CCO[C@@]1(c2nnc(N3CCC(CC#N)CC3)n2CCS(=O)(=O)C(C)(C)C)CCOC1 1710453132 CTEKFMJOWLFJFZ-NRFANRHFSA-N 453.609 2.274 30 10 JEEE CCOc1ccc(O[C@H](C)c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@]2(O)CCN(C)C2)cc1 1710537290 BOKSFJXKZRYPEO-ZQMYSKGWSA-N 458.538 2.325 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2CCc2ccn(C)n2)c1 1722305212 NJSLBSUXKNBUSE-AREMUKBSSA-N 491.596 2.351 30 10 JEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(c2ccc(OC)cc2)CC1 1722308108 GFEFXBRYCPJLLY-LJQANCHMSA-N 474.631 2.417 30 10 JEEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1722327108 VYQILCLIRNADBA-SFHVURJKSA-N 488.434 2.202 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCC=CO1)[C@@H]1CCS(=O)(=O)C1 1722360518 UUVHVPYIVFZJMU-RTBURBONSA-N 457.512 2.173 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1CCCn1cccn1)[C@H]1CCS(=O)(=O)C1 1722370483 NWLCKFQALACPNZ-NRFANRHFSA-N 482.610 2.387 30 10 JEEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1C[C@]1(C)CCCS1)[C@H]1CCS(=O)(=O)C1 1722372139 QEGHNVXJPFMJSV-KKSFZXQISA-N 493.680 2.182 30 10 JEEE C#CCN1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCCCCO)CC1 1722437226 LLIJBCZCPRACHO-UHFFFAOYSA-N 460.623 2.310 30 10 JEEE C=C(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1722523107 ANJWVZDZIBYNGV-FQEVSTJZSA-N 481.649 2.065 30 10 JEEE C=C(C)COCCn1c(-c2cccnc2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1722531496 OIRGMWPTPRUZQQ-JOCHJYFZSA-N 461.570 2.281 30 10 JEEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2OC)CC1 1722553858 AEZOZQGLXDPLRP-INIZCTEOSA-N 451.980 2.268 30 10 JEEE C=CCCOCCn1c(COc2cccc(C)c2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1722627017 KMSUHRRWZJCBBB-UHFFFAOYSA-N 496.612 2.029 30 10 JEEE C=CCCOCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1722628178 SRARWLSAONQADJ-HXUWFJFHSA-N 489.646 2.058 30 10 JEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)CC2CCCCC2)CC1 1722702505 OVJLLPXOSFVSAQ-UHFFFAOYSA-N 482.633 2.061 30 10 JEEE C=CCOc1ccccc1Cn1c(-c2cccnc2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1722707441 PEZWXMHTMPFHOO-FQEVSTJZSA-N 468.583 2.471 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCCS(=O)(=O)C2)C1 1722714297 KEMTYAHWXKDUDW-QFBILLFUSA-N 461.544 2.459 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CC[C@@]2(C)[C@H](C1)C2(Cl)Cl 1722728503 WBZSYWKINCSOOM-YOEHRIQHSA-N 457.387 2.356 30 10 JEEE CCN(C[C@H]1CCCO1)c1nnc(COc2ccc(C#N)cc2)n1CC(=O)NCC(F)(F)F 1728473164 FEQDNHHDFCQRRL-QGZVFWFLSA-N 466.464 2.413 30 10 JEEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1CCCN1CCCO[C@@H](C)C1 1729618468 BEZOZUFLOVTDJL-MOPGFXCFSA-N 453.591 2.136 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ccc(OC)cc2OC)CC1 1740824751 BHSNKBCRXIBKJD-OAQYLSRUSA-N 491.614 2.027 30 10 JEEE C=CCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1740843148 ZGCGIFMUFHAWLY-KRWDZBQOSA-N 451.579 2.395 30 10 JEEE C=CC[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1)c1ccccc1 1740853537 FTGLXYWODOBSRR-PWRODBHTSA-N 467.570 2.234 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(OC(C)C)CC1 1740988190 WLWIBECHPNYAJH-UHFFFAOYSA-N 496.655 2.343 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H](C)c1ccccc1 1741130912 CKQJUAWMENCYGG-QWFCFKBJSA-N 460.604 2.401 30 10 JEEE CC(C)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC1 1741629408 HDZRAHLGGFCZGP-HSZRJFAPSA-N 478.645 2.290 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1CC[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1748810067 RTDPOFSLDDKBHY-MSOLQXFVSA-N 474.583 2.016 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCNC(=O)C(C)(C)C 1748842627 PGJJZKACQHCXSF-UHFFFAOYSA-N 473.581 2.471 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCc2cc(OC)ccc21 1748962115 AFRLVXMLRJOYHK-WOJBJXKFSA-N 472.611 2.395 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](CC(N)=O)C1 1749135062 CHDYQPHRNJZCBI-FVJLSDCUSA-N 472.615 2.343 30 10 JEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCN([C@@H](C)c2nccs2)CC1 1749210031 AZPNVWBLRBCFTP-SFHVURJKSA-N 459.620 2.447 30 10 JEEE COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCO[C@H]2C(C)C)CC1 1749245248 DFFVLGJVIXZYPZ-UNMCSNQZSA-N 452.559 2.173 30 10 JEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1749630229 QRTFOLQNLWORIT-MBSDFSHPSA-N 473.578 2.258 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1749729435 JLQRJKNLUKLNGJ-VGOFRKELSA-N 464.563 2.459 30 10 JEEE C=CCSCCn1c(Cc2ccncc2)nnc1N1CCN(c2nccc(OC)n2)CC1 1749762103 PAZAGMBHMAYYOC-UHFFFAOYSA-N 452.588 2.308 30 10 JEEE CC1(C)COCCN1CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](CC(N)=O)C1 1751300029 AVOCRMVARIDVGE-IBGZPJMESA-N 451.575 2.019 30 10 JEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@H](C)Sc1ccccc1)[C@H]1CCS(=O)(=O)C1 1760179099 MGGAXGGUGIVRMW-OALUTQOASA-N 487.651 2.322 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@](C)(O)c1cc(C)oc1C)[C@H]1CCS(=O)(=O)C1 1760189040 GDVKDIINCMKNMR-RDPSFJRHSA-N 483.594 2.008 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@](C)(O)c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1760190569 XOULKEIRWWFTFM-NFBKMPQASA-N 469.542 2.014 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CC1(N(C)C)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1760190715 USZBEYJIGZRIHO-OAQYLSRUSA-N 470.643 2.155 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H]1CCCN(C(C)=O)C1 1760242361 APLVBEVXWGAUBL-NRFANRHFSA-N 466.586 2.492 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H]1CC[C@@]2(CCOC2)O1 1760245282 YITLWSMWAIAKFH-DVECYGJZSA-N 456.543 2.386 30 10 JEEE C#CCN1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CC(C)(C)C(=O)NCC)CC1 1760260352 PMHZCKRZAARUBI-UHFFFAOYSA-N 460.586 2.048 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1760557950 BDKSIVYORCVLHK-NCXUSEDFSA-N 470.636 2.038 30 10 JEEE C[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)CC#N)N1CCN(c2ccccc2)CC1 1761409693 DHJFCXRPNUEENS-NJDAHSKKSA-N 485.658 2.129 30 10 JEEE COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)N2CCC[C@@H](C)C2)CC1 1769135785 FBCRBDUEJNOGAU-WOJBJXKFSA-N 465.602 2.232 30 10 JEEE O=C(ON1C(=O)c2ccccc2C1=O)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl 1772790869 UONLPTKUTGSUKM-UHFFFAOYSA-N 485.301 2.382 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@H]2c2ccc(C(=O)O)cc2)cc1C 1862407496 POJOMFOAWRJTIW-FQEVSTJZSA-N 452.463 2.416 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCO)[C@@H]2c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1C 1862410255 FBBHZZNKTZVKMN-HXUWFJFHSA-N 470.434 2.254 30 10 JEEE COc1cc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2CCNC(C)=O)cc(OC)c1OC 1862762905 VCPFVNJCBMFJBR-FQEVSTJZSA-N 499.476 2.335 30 10 JEEE COc1ccc(N2CCN(C(=O)CNC(=O)C3CCN([C@@H](C#N)c4cccs4)CC3)CC2)cc1 1868782471 JCAICSYWQVEJEI-QFIPXVFZSA-N 481.622 2.498 30 10 JEEE C[C@@H]1CN(C(=O)[C@@H](Cc2c[nH]c3ccccc23)N=C2NS(=O)(=O)c3ccccc32)C[C@@H](C)O1 1869927919 ICSFAGIFBHEGCK-WHSLLNHNSA-N 466.563 2.454 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)OCC(C)C)cn1CCN1C(=O)CSC1=O 1870425018 QHEBRSFJGBIXNW-UHFFFAOYSA-N 477.583 2.296 30 10 JEEE C=CCn1cc(OCC(=O)N=c2nc3nc(C)cc(C)n3[nH]2)c(=O)cc1CN1C[C@H](C)C[C@@H](C)C1 1870429087 VJWWGQBBZWQMMA-IAGOWNOFSA-N 479.585 2.006 30 10 JEEE CCCOc1c(/C=N/Nc2cnn([C@@H]3CCS(=O)(=O)C3)c(=O)c2Cl)cccc1OC 1873529022 MCZKQBVSMJMLHG-YVJZOELXSA-N 454.936 2.500 30 10 JEEE C=CCn1c(C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc2c(N3CCC(C)CC3)ncnc21 1873593575 FJZFURHHTIETLY-UHFFFAOYSA-N 468.583 2.431 30 10 JEEE C[C@@H](C(=O)NC1CCN(Cc2ccc(C#N)cc2)CC1)N1C(=O)c2ccc(C(=O)O)cc2C1=O 1873724500 PHARCCFAPCZRNJ-HNNXBMFYSA-N 460.490 2.022 30 10 JEEE COCCc1nnc(SCC(N)=O)n1/N=C/c1cc(Br)c(OC(C)C)c(OC)c1 1874470711 NXYOSRNTGGLKPM-ZVBGSRNCSA-N 486.392 2.485 30 10 JEEE CC(C)N1C(=O)CS[C@H](C(=O)N2CC[C@H](N(C)c3ncccn3)C2)[C@H]1c1ccc(C#N)cc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c3cc(B4OC(C)(C)C(C)(C)O4)ccn3)CO[C@H]2C1 2206631994 JPXFRGAIAYLOII-ZACQAIPSSA-N 459.352 2.201 30 10 JEEE CC1(C)OB(c2csnc2C(=O)N[C@@H]2COCCN(C(=O)OCc3ccccc3)C2)OC1(C)C 2255537724 ABQMSRKCCAKWEV-KRWDZBQOSA-N 487.387 2.210 30 10 JEEE Cc1cc(S(=O)(=O)NC[C@H](C)NC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2255747859 SFVCKFAZOXAVSE-HNNXBMFYSA-N 454.398 2.486 30 10 JEEE Cc1csc(C(=O)N[C@H]2COC[C@H]2NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2255836869 GECPBESWYJGGFI-UONOGXRCSA-N 452.382 2.378 30 10 JEEE CC(C)[C@@H](C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)[C@H](C)NC(=O)OC(C)(C)C 2256623921 ILUORQQKAFOXDS-QWHCGFSZSA-N 454.402 2.383 30 10 JEEE Cc1cc(CNC(=O)[C@H](O)CCNC(=O)OC(C)(C)C)sc1B1OC(C)(C)C(C)(C)O1 2256670343 CEHQPGLDRXXRJJ-OAHLLOKOSA-N 454.398 2.248 30 10 JEEE C[C@H]1[C@@H](NS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CCN1Cc1ccccc1 2267380094 YJYLBJMFOTXUNL-UWJYYQICSA-N 457.405 2.322 30 10 JEEE Cc1c(C(=O)NC[C@@H](C)CN(C)C(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2267511257 ZNUGSRABIUFSLH-CQSZACIVSA-N 450.389 2.261 30 10 JEEE CC(C)(C)OC(=O)NC1[C@@H]2CN(S(=O)(=O)Cc3ccsc3B3OC(C)(C)C(C)(C)O3)C[C@@H]12 2267726498 OFMKKIXWYLXCSS-HUUCEWRRSA-N 484.449 2.332 30 10 JEEE CO[C@@H]1C[C@H](C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)N(C(=O)OC(C)(C)C)C1 2268638583 JHFYFLZECITPER-UKRRQHHQSA-N 467.397 2.083 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2cc(F)ccc2B2OC(C)(C)C(C)(C)O2)[C@@H](O)C1 2281778669 XEVZMIOYZPUDHE-MSOLQXFVSA-N 464.343 2.225 30 10 JEEE Cc1c(C(=O)N2CC[C@@H](C)N(C(=O)OC(C)(C)C)CC2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281805547 AJYVBONRFACSDW-OAHLLOKOSA-N 462.400 2.499 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CC1(F)F 2282017073 GEOKJJOEEHQISQ-AWEZNQCLSA-N 468.310 2.150 30 10 JEEE CC(C)(C)OC(=O)N[C@@]12CC[C@@](CNC(=O)c3sncc3B3OC(C)(C)C(C)(C)O3)(C1)OC2 2282025279 MSAPSFCJDNFCLQ-VXKWHMMOSA-N 479.408 2.389 30 10 JEEE Cn1cc(C(=O)N2CCC(CCNC(=O)OC(C)(C)C)CC2)nc1B1OC(C)(C)C(C)(C)O1 2282052532 OHOXPRBCDFPJNV-UHFFFAOYSA-N 462.400 2.486 30 10 JEEE Cc1ccc(C(=O)N2C[C@H](O)C[C@H]2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2282128704 OZVVYGQMJZWCDW-DLBZAZTESA-N 460.380 2.394 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1CCCN(S(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282350841 SJPZFQIZBZUGSJ-INIZCTEOSA-N 481.424 2.306 30 10 JEEE C[C@@H]1C[C@H](N(C)S(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CN1Cc1ccccc1 2282492219 NZCKUVZSEMGTPV-MJGOQNOKSA-N 474.436 2.003 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)OC(C)(C)C)C3)n1 2282545360 WICKLMNHAMZHQF-MUJYYYPQSA-N 460.384 2.380 30 10 JEEE CN(C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCC[C@H]1CNC(=O)OC(C)(C)C 2282555061 NEEFKIYRXGNGGU-RDJZCZTQSA-N 462.400 2.485 30 10 JEEE CC1(C)OB(c2c[nH]nc2C(=O)N2Cc3ccc(NC(=O)C(F)(F)F)cc3C2)OC1(C)C 2282582180 SMWURNWZOJMFEM-UHFFFAOYSA-N 450.226 2.366 30 10 JEEE CN1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(Cl)s2)[C@@H](CNC(=O)C(F)(F)F)C1 2282628690 PCZHGIXFILMIKM-NSHDSACASA-N 495.760 2.135 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)c3ncncc3B3OC(C)(C)C(C)(C)O3)CC[C@H]2C1 2282705737 BNNLXMWIIYJEBF-HOTGVXAUSA-N 458.368 2.105 30 10 JEEE CC(C)(C)OC(=O)NC[C@]1(O)CCCN(C(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282710213 LLCYNSCEUXKCLQ-XMMPIXPASA-N 460.380 2.478 30 10 JEEE COC(=O)[C@@H](CC(=O)N(C)Cc1sccc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2283926529 PCJCBASFIQAZHR-OAHLLOKOSA-N 482.408 2.462 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2283953156 PMFASCXTRKTWNX-CQSZACIVSA-N 465.331 2.342 30 10 JEEE Cn1cc(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)c(=NC(=O)OC(C)(C)C)[nH]1 2284046181 WYZCCOPDFRYSPF-UHFFFAOYSA-N 461.303 2.275 30 10 JEEE CO[C@]1(C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)CCCN(C(=O)OC(C)(C)C)C1 2284060104 XQAHWDWLSDPUBK-JOCHJYFZSA-N 481.424 2.475 30 10 JEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC2CCCN(C(=O)OC(C)(C)C)CCC2)n1 2284605960 LCDVOIYQZKXOLG-UHFFFAOYSA-N 463.388 2.024 30 10 JEEE CCN=C1S[C@H](C(=O)Nc2ccccc2)CC(=O)N1CCc1ccc(S(N)(=O)=O)cc1 2297709461 GSBJYDUBUVCXBW-SFHVURJKSA-N 460.581 2.225 30 10 JEEE CC(C)(C)OC(=O)NC1([C@@H](N)C#CC2(S(C)(=O)=O)CC2)CCN(Cc2ccccc2)CC1 2319389645 AFFWJZYTQWOHIB-FQEVSTJZSA-N 461.628 2.454 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCCN(C(=O)OC(C)(C)C)C[C@H]2C)n1C 2362483693 SMMUTYXWCGEMAI-OAHLLOKOSA-N 462.400 2.499 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@]2(CNC(=O)c3ncc(B4OC(C)(C)C(C)(C)O4)cn3)CC[C@H]1C2 2363697843 SIXBVDCJOOZAMS-HJPURHCSSA-N 458.368 2.295 30 10 JEEE Cn1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H]3CCC[C@@H]32)c(B2OC(C)(C)C(C)(C)O2)n1 2367685261 QHSLVTNLIQOIHR-IRXDYDNUSA-N 460.384 2.333 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(C(=O)OC(C)(C)C)[C@@H]2CCC[C@@H]21 2367687026 NCTYCAZEILSDFJ-JKSUJKDBSA-N 460.384 2.333 30 10 JEEE Cc1cc(CN2CC(C(N)=O)(N(C)C(=O)OC(C)(C)C)C2)cc(B2OC(C)(C)C(C)(C)O2)c1 2369731114 IXFQWEOOIVLHMP-UHFFFAOYSA-N 459.396 2.201 30 10 JEEE CCN1CCN(C(=O)/C(C#N)=c2\s/c(=C\c3cc(C)ccc3C)c(=O)n2-c2ccc(F)cc2)CC1 32666008 WIZOARQRRBQGJA-CGXKQFGFSA-N 490.604 2.322 30 10 JEEE COc1nc(NN=Cc2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)nc(N2CCOCC2)n1 254395491 SPFNHTHDEIJESI-UHFFFAOYSA-N 455.431 2.340 30 10 JEEE N#Cc1cc(S(=O)(=O)N2CCCN(S(=O)(=O)c3cccc4cnccc34)CC2)ccc1F 488693347 GEGYTWUEXCJZLW-UHFFFAOYSA-N 474.539 2.331 30 10 JEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2Br)c(=O)n1-c1ccccc1C#N 511086688 SCTAXYNLJXPEMN-UHFFFAOYSA-N 491.370 2.338 30 10 JEEE C=CCc1ccc(OCC(=O)N2CCN(c3ccccc3S(=O)(=O)NC)CC2)c(OC)c1 524359374 RIELPINPWDCUSY-UHFFFAOYSA-N 459.568 2.059 30 10 JEEE CC(C)c1cccc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3cnn4ccccc34)c2=O)c1 729669350 LWWLVPOVWZMJLM-UHFFFAOYSA-N 499.596 2.032 30 10 JEEE C#CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCN(C)[C@@H](C(=O)O)C1 757313052 RYNXATSBNYMWCU-DHIUTWEWSA-N 461.518 2.144 30 10 JEEE C#CC[C@@H](NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 757537553 AXQZLDANZPVCGN-DHIUTWEWSA-N 472.501 2.452 30 10 JEEE COc1ccc(C(C)=NNc2nnc(SCC(=O)NCc3ccc(F)cc3)n2N)cc1OC 1084262560 VGUQDUFCPYGVIS-UHFFFAOYSA-N 473.534 2.393 30 10 JEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC[C@@H]3CCN(CC(C)C)C3)nnc12 1182997913 YBPYBYBUSFMLRW-KRWDZBQOSA-N 454.600 2.416 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(Cl)nc2)c1 1286310924 HWMCDUJNWQSUMJ-SFHVURJKSA-N 498.996 2.333 30 10 JEEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1C[C@H]1CCCS1)[C@@H]1CCS(=O)(=O)C1 1286394594 JOCYRJKRZIEBRF-YLJYHZDGSA-N 476.624 2.388 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H](c1cccc(C)c1)N1CCOCC1 1286415958 SZGXRGQJAGVMOC-GVAUOCQISA-N 477.609 2.457 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2CCn2ccnc2C)CC1 1286492896 QYRVLWHPQPEWSF-UHFFFAOYSA-N 465.533 2.167 30 10 JEEE C#CCSCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1286500509 VKRZUKLKMOGAOK-SFHVURJKSA-N 499.666 2.467 30 10 JEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CO)(Cc2ccccc2)CC1 1286503808 FPHBEIHKLXURQO-HXUWFJFHSA-N 453.612 2.417 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccnc(OC(F)F)c1 1286582572 ZTNMEEWMOUHCSK-INIZCTEOSA-N 486.545 2.058 30 10 JEEE C=C(C)COCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(CC)[C@@H](C)C1 1286606502 ROALZFMMXPNVRC-SFHVURJKSA-N 451.575 2.315 30 10 JEEE C=C(C)COCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1286608967 WHGVZTLUIZMZES-UUOWRZLLSA-N 490.605 2.038 30 10 JEEE C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1)c1ccccc1 1286615814 VCHVKEZHAVGZLY-AZUAARDMSA-N 474.631 2.343 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C 1286759012 YDESXHMQCLSGJW-ROUUACIJSA-N 498.650 2.045 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@](C)(O)C2CCCCC2)C1 1286810336 PRODZCASFOKUFB-JUXOCIIHSA-N 452.621 2.293 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1Cc1ccc(F)cn1 1288827988 BTQNEIZPHLCFAL-INIZCTEOSA-N 499.572 2.390 30 10 JEEE CC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1)OC 1292194307 BHGVWSOFJXRRED-JOCHJYFZSA-N 465.602 2.376 30 10 JEEE CN(CC(C)(C)CN1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCS(=O)(=O)C1 1298235526 HJMWHMUPCJPKEA-HXUWFJFHSA-N 486.642 2.046 30 10 JEEE CNC(=O)CCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@](C)(O)c1cc(C)oc1C 1299225874 GMPCYUYPIZCNPK-DEOSSOPVSA-N 466.542 2.419 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@@]1(O)CCS(=O)(=O)C1 1300284364 ZFQUWIVKKUXZBX-SBUREZEXSA-N 470.551 2.125 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCOCC1(C)C 1300310585 NSZHAEKMDQERQW-RTBURBONSA-N 476.622 2.155 30 10 JEEE C#CCN(c1nnc(-c2c[nH]c3ccccc23)n1C[C@@](C)(O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1300491865 JHXPAMJATRUPNR-UZUQRXQVSA-N 455.584 2.460 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCCN1C[C@H](C)O[C@H](C)C1 1300559133 JUZFCTDORSRUBR-OTNCWRBYSA-N 457.619 2.281 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1300892512 TWPBPSNUUFPVNG-IPJJNNNSSA-N 471.583 2.333 30 10 JEEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1300960757 KCOVDXAVMPGFEO-IRXDYDNUSA-N 460.604 2.213 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1300991596 VNHDGFQLNDUFHA-AWEZNQCLSA-N 474.509 2.008 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1301493427 YFVGZMGSOHOPNF-MZNJEOGPSA-N 471.558 2.039 30 10 JEEE C=CCOc1ccc(Cn2c(Cn3nc(C)cc3C)nnc2N(C)[C@H]2CCS(=O)(=O)C2)cc1 1301529121 GYLMTZYASHGMKE-FQEVSTJZSA-N 470.599 2.376 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](OC)C(C)(C)C1 1301529183 IBQIBCWJVMLKOD-QFBILLFUSA-N 463.604 2.363 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[C@H](C)N2CCCCC2)C1 1301556611 INIYOKZJPOCFCD-XUVXKRRUSA-N 451.637 2.226 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1301575377 FRWYTPJMGJOHAO-KRWDZBQOSA-N 486.598 2.291 30 10 JEEE C=CCN(CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1)C(C)C 1307436097 XDSVYJIFSVJWDZ-UHFFFAOYSA-N 450.605 2.143 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1nnc2n1CCCCC2 1358890109 KZWZNXXQCYWPDT-QZTJIDSGSA-N 484.605 2.411 30 10 JEEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(S(=O)(=O)c2ccccc2)CC1 1358918887 KFSQYZPBAKCYAX-UHFFFAOYSA-N 455.584 2.370 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1Cc1csc(COC)n1)[C@@H]1CCS(=O)(=O)C1 1358965213 QDHFIAXORGSRFP-HXUWFJFHSA-N 485.635 2.455 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@H](C(C)C)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1358965687 ZGGPLGLZZQORFZ-FGZHOGPDSA-N 470.643 2.011 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccc(OC(F)F)cc1)[C@H]1CCS(=O)(=O)C1 1358967048 CHFYISMQJQTAPU-FUHWJXTLSA-N 466.510 2.406 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H](C2CCCCC2)N(C)C)CC1 1359027948 BIKDFWWUSHVLNB-QFIPXVFZSA-N 457.667 2.462 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2C[C@@H](C(C)C)N2CCOCC2)CC1 1359038911 PSEJCJPCLBHLMR-QFIPXVFZSA-N 470.593 2.108 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC2([S@@](C)=O)CCC2)CC1 1359042778 UAHLXIPUDSTAJI-JGCGQSQUSA-N 475.018 2.261 30 10 JEEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1359057152 TYJRPZUTZLEPMZ-SFHVURJKSA-N 455.650 2.136 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccc2C)nnc1N(C)CC(=O)N1CCOCC1 1359101396 NVLADLCQGBFXFT-URXFXBBRSA-N 453.587 2.454 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1359106253 ZKFCDSWGXSNIRP-HAGHYFMRSA-N 467.636 2.219 30 10 JEEE C=CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1CCS(=O)(=O)C1 1359239190 IEAZOQWLWAEQTC-IRXDYDNUSA-N 453.609 2.450 30 10 JEEE CC(C)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)CN2CCOCC2)CC1=O 1360031366 FNRZLNUFQTYMAB-NRFANRHFSA-N 495.628 2.002 30 10 JEEE C#CCn1cc(CNC(=O)c2cc(S(=O)(=O)NCC(C)C)ccc2Br)cn1 1448874330 FQCCTCDORANBFD-UHFFFAOYSA-N 453.362 2.143 30 10 JEEE C#CCN(C(=O)Nc1ccc(CC(=O)N2CCc3ccccc32)cc1)[C@@H]1CCS(=O)(=O)C1 1465492693 WACAHYYMZNEVPQ-OAQYLSRUSA-N 451.548 2.473 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cn3nc(C)cc3C)n2CCNC(=O)C(C)(C)C)c1 1507551771 HFNILRUKOUUTEU-UHFFFAOYSA-N 490.612 2.358 30 10 JEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(c2ccccc2C#N)CC1 1507556422 ILAMQOSEFKGOPQ-LJQANCHMSA-N 469.615 2.280 30 10 JEEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(c2cccc(OCC)n2)CC1 1507570076 MDPIJZDFOANXOC-UHFFFAOYSA-N 451.575 2.324 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCOC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1507625876 BSOHEMQWSVLASL-QMMLZNLJSA-N 453.568 2.116 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Cc1cccs1 1507671727 PBARHPCWZQLTMD-AZUAARDMSA-N 475.640 2.014 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC[C@@H]1CCOC1 1507672350 XWIQUVLMUGMXLP-UXHICEINSA-N 457.575 2.476 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc3cccnc23)n1C[C@H]1CCCN1S(C)(=O)=O 1507709479 UYYWVKOKYSPAES-LJQANCHMSA-N 468.583 2.003 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(C(=O)N(CC)CC)cc2)CC1 1507739052 LNNRBEZQGPRUOM-QHCPKHFHSA-N 492.624 2.278 30 10 JEEE C=CCNC(=O)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCNC(=O)[C@H]1CC 1508074262 RFNRACRLPSFMIX-QGZVFWFLSA-N 465.583 2.394 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cc(C(C)(C)C)no2)C1 1508111512 ZFSVERGNUZHPFH-HUUCEWRRSA-N 452.581 2.003 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCN(CC(F)(F)F)C2)C1 1508131286 LQMJZMUCCKJVMR-IAGOWNOFSA-N 456.513 2.066 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](c2ccccc2F)C1 1508142278 RVFJKGVBJXGCKJ-FXAWDEMLSA-N 464.563 2.490 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H](C)c1ccccc1 1508145774 PGOKVLLEUJXSOQ-IEBWSBKVSA-N 466.629 2.021 30 10 JEEE CC(C)c1nc([C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CC(=O)NCC(F)F)CCO2)no1 1508888178 HPLXWIBZZLZLGO-INIZCTEOSA-N 486.483 2.282 30 10 JEEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@H](Cc3nc(C4CCCCCC4)no3)C2)C1=O 1534077546 OZXQKHQTHCWOFZ-MRXNPFEDSA-N 457.531 2.265 30 10 JEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1539206033 LYCJCZOBXNPKAF-IBGZPJMESA-N 458.975 2.430 30 10 JEEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1CC(C)(C)N1CCc2ccccc2C1 1539421885 ZTMGMXIFLZWSJF-UHFFFAOYSA-N 464.614 2.323 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H](C)c2ncc(C)s2)CC1 1539469246 PMAZFKRVHBEOJE-BXKMTCNYSA-N 486.642 2.465 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2Cc2cc(F)ccc2OC)CC1 1539484139 DOQUQGZNIBIIOV-UHFFFAOYSA-N 462.529 2.426 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](COc2ccccc2)C1 1539518030 VFRNHURMUKYTIT-MOPGFXCFSA-N 460.625 2.452 30 10 JEEE C=CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1540919753 GNVFNFRGCZNOQP-MRXNPFEDSA-N 460.629 2.390 30 10 JEEE Cc1nc(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCN(CC(=O)N(C)C)CC2)cs1 1542937730 BMUWQLVABOLBAE-UHFFFAOYSA-N 464.599 2.035 30 10 JEEE CCN(CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C(=O)NC)CC1)C(C)C 1547595463 BYVGSCORSDHWTB-UHFFFAOYSA-N 453.591 2.421 30 10 JEEE CN(C)CCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC(CC#N)CC2)cc1 1552869597 CNVKKXYYCWGEKB-OAQYLSRUSA-N 451.575 2.348 30 10 JEEE COCCN(CCC#N)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@]1(O)CCC[C@@H]1C 1555557972 IFPHXFLFMPEOTM-YADARESESA-N 468.606 2.370 30 10 JEEE N#Cc1cc(F)c(S(=O)(=O)NCC2CCN(S(=O)(=O)c3ccccc3)CC2)c(F)c1 1561181919 HLBGNFQPCMJMNF-UHFFFAOYSA-N 455.508 2.216 30 10 JEEE C#CCn1ccc(CN(CCOC)C(=O)[C@H](C)NC(=O)c2ccc(Br)s2)n1 1568521800 KLKZECWEXVCQDD-ZDUSSCGKSA-N 453.362 2.134 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC[C@H](C(F)F)N1CCOCC1 1587631963 HFKIUQKMDFVLAX-AZUAARDMSA-N 488.587 2.266 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1CCn1cc(Cl)cn1)[C@H]1CCS(=O)(=O)C1 1588044691 AUADFWYYENUQDA-KRWDZBQOSA-N 474.974 2.131 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CC1(OC)CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1588064717 NYBBVQSCFOOZCJ-KWLQHXCVSA-N 471.627 2.486 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCCCOCc2ccccc2)CC1 1588733283 QFVCTUKIJPBVHF-UHFFFAOYSA-N 450.587 2.266 30 10 JEEE C#CCN1CCN(c2nnc(-c3nn(C(C)C)c(=O)c4ccccc34)n2C[C@@H](C)COC)CC1 1588806060 FIYWKELGEKYKMH-LJQANCHMSA-N 463.586 2.274 30 10 JEEE C#CCSCCn1c(N2CCC[C@H](n3nc(C)nc3C)C2)nnc1[C@@]1(OCC)CCOC1 1589125220 HJTLVWPRDAMNFG-SIKLNZKXSA-N 459.620 2.346 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(CCOc2ccccc2)n1C[C@H]1CCCN1S(C)(=O)=O 1589234678 XNCCGTHHGTVDAI-AUSIDOKSSA-N 457.600 2.316 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1589515432 NNKYYENLAAYVGX-ISKFKSNPSA-N 477.613 2.445 30 10 JEEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)CCC2CCCC2)CC1 1593807079 IASPANFYSIAVAJ-INIZCTEOSA-N 473.043 2.260 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1594455807 WHKZGQCLCBKAKF-QGZVFWFLSA-N 472.619 2.084 30 10 JEEE C=CCN(CC=C)c1nnc(-c2cc(Br)c[nH]2)n1CCN1CCCS1(=O)=O 1595185295 VLWYAYVEZZMQBU-UHFFFAOYSA-N 455.382 2.250 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N(C)CC(=O)Nc1cccc(Cl)c1 1595555579 CWUBEMDDWRJTTD-UHFFFAOYSA-N 453.934 2.294 30 10 JEEE C[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCCN(c2ccccc2C#N)CC1)N(C)C 1611476802 AUCUWDZEHYDMQD-IBGZPJMESA-N 473.585 2.464 30 10 JEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC[C@@H]2C[C@H]3CC[C@H]2N(C(=O)OC)C3)cc1 1665968619 DSBCFTCCMCUDPZ-JTDSTZFVSA-N 450.561 2.482 30 10 JEEE COCC1(CNC(=O)N2CCC(C#N)(C(=O)OC)CC2)CCN(C(=O)OC(C)(C)C)CC1 1672622741 HQQFRVPDJUMGDY-UHFFFAOYSA-N 452.552 2.138 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1CCC(=O)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 1689992471 LDVQDORKFUYWLL-FQEVSTJZSA-N 487.601 2.037 30 10 JEEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cnccc1OC 1690077489 PSCHQCCVCPSSHT-GOSISDBHSA-N 456.547 2.498 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2CCCNC(=O)c2cccc(O)c2)CC1 1690137279 SDVCOGIRDYLAGC-SFHVURJKSA-N 466.586 2.283 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2CCn2cc(Cl)cn2)CC1 1690139962 GLMWZWNMRPPGLO-UHFFFAOYSA-N 467.961 2.470 30 10 JEEE C=C(Br)Cn1c(N2CCN3C(=O)N(CC(C)C)C[C@H]3C2)nnc1[C@@]1(OCC)CCOC1 1690234545 IAHXMQLDMJFYKB-DYESRHJHSA-N 497.438 2.421 30 10 JEEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1690484671 AYALHZXLFGTYST-QGZVFWFLSA-N 460.560 2.381 30 10 JEEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCCC[C@H](SC)C1 1690668752 IAKNXSCMTMLPCC-INIZCTEOSA-N 477.660 2.262 30 10 JEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCO[C@H](COc2ccccc2)C1 1690674374 YRLUAMRQOWYHHD-FQEVSTJZSA-N 468.583 2.220 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCCN(C(=O)C2CC2)CC1 1690720445 JMIQNXUOUBCYPX-UHFFFAOYSA-N 461.563 2.134 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(-c2ccccc2)no1 1692661436 DMRPCHHEGKETKY-OXJNMPFZSA-N 485.570 2.053 30 10 JEEE CC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1)N1CCCC1 1694373266 FWGYFRQBKBUVCS-NRFANRHFSA-N 471.631 2.163 30 10 JEEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN(C)[C@H](C)CC)C1 1695945218 CXUJAZGTTFSTJQ-YLJYHZDGSA-N 459.620 2.065 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCOCC(F)(F)C(F)F 1705485890 RNDOGFUMYIGYFY-CYBMUJFWSA-N 452.416 2.296 30 10 JEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CN2C[C@H](C)O[C@H](C)C2)CC1 1705516746 IEIUXGJETJKSGZ-RZUBCFFCSA-N 477.675 2.309 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1Cc1ccc(Cl)nc1)[C@@H]1CCS(=O)(=O)C1 1705568086 HMPIYHDKNHHHIZ-LJQANCHMSA-N 496.980 2.452 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1Cc1ncccc1N(C)C)[C@@H]1CCS(=O)(=O)C1 1705568271 KBMHNYWXQXQIHQ-GOSISDBHSA-N 498.584 2.132 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@H]1OCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1705569131 ZVHLXKROTHSXAJ-AZUAARDMSA-N 476.574 2.438 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCO[C@@H]1C(=C)C 1705623169 ILBIWABRRDFCTA-TZIWHRDSSA-N 458.584 2.416 30 10 JEEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@H]2CCCN2CCCO)CC1 1705642052 DYXQOTGAQHZZPR-QHCPKHFHSA-N 466.630 2.076 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(COc2cccc(C)c2)n1CC1(O)CCS(=O)(=O)CC1 1705677565 UDAJBSZDYPEMIT-JOCHJYFZSA-N 458.584 2.097 30 10 JEEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCS(=O)(=O)c1ccccc1 1705840936 INSFPVKQMWDRIX-UHFFFAOYSA-N 474.612 2.334 30 10 JEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccc(Br)cc2C1 1705890686 CNJCSJVYYLYPRT-KRWDZBQOSA-N 482.404 2.122 30 10 JEEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1CC1(N2CCOCC2)CC(OCC)C1 1722302463 IHHAVPLKCOWKKL-VUIBPRDZSA-N 478.597 2.457 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H](CC)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1722362341 SULLKOPPKDPHBV-QZTJIDSGSA-N 490.630 2.214 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@]1(N2CCOCC2)CCSC1 1722387195 AESAYEZAQUQCTP-OTPAQWSUSA-N 471.671 2.477 30 10 JEEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(N2CCCC2)CCOCC1 1722391466 NHGNDHPANLAXOJ-SANMLTNESA-N 469.630 2.427 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1nnnn1CC1CC1 1722412476 ZWMJZHSQYDEGED-GOSISDBHSA-N 469.594 2.297 30 10 JEEE C#CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(c2nccc(OC)n2)CC1 1722455651 VPNUYAWCOJDATR-UHFFFAOYSA-N 465.583 2.445 30 10 JEEE C=CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)on2)n1CC1(O)CCS(=O)(=O)CC1 1722679837 NJOLXRNQZONIPD-UHFFFAOYSA-N 487.582 2.179 30 10 JEEE C=CCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 1722686851 YYIRNKAJTIPKNM-KRWDZBQOSA-N 458.588 2.489 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCOC(C)(C)[C@@H]1C 1722728590 RVRJFZVAELDJNN-SFHVURJKSA-N 489.646 2.057 30 10 JEEE C#CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1740579032 JULLIWGWKWWEOZ-NRFANRHFSA-N 464.570 2.388 30 10 JEEE C#CCN(c1nnc(-c2noc3c2COCC3)n1C[C@H](SC)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1740622798 IRDDUMZSWIYTET-YJBOKZPZSA-N 493.655 2.410 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCOCC)[C@H]1CCS(=O)(=O)C1 1740629046 ZDDLWWGSJNLKFZ-OALUTQOASA-N 495.646 2.403 30 10 JEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC[C@H](OC)C(F)(F)F 1740637591 FYHQGDODDHMADO-SFHVURJKSA-N 461.492 2.492 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccccc3Cl)n2CCCN(C)S(=O)(=O)CC)CC1 1740693612 FHCKCRUGBOTJSO-UHFFFAOYSA-N 465.023 2.025 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccccc2Br)CC1 1740704453 OJAFLGOAACVDBW-UHFFFAOYSA-N 482.386 2.455 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](c2nccs2)C1 1740709290 LUUPTVULHDJYEH-HNNXBMFYSA-N 455.569 2.326 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccnc1OCC(F)F 1740731264 TWQPYOHSOQOYHO-HRAATJIYSA-N 465.526 2.260 30 10 JEEE C=C(Br)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1740744647 CWJDJIQRLQHJDK-GJZGRUSLSA-N 459.352 2.067 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1740760080 GOQKZLFQKZIKCA-KONPQCLYSA-N 456.513 2.283 30 10 JEEE C=C(Cl)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1740813254 AIELYLPVSRRFQU-JTSKRJEESA-N 484.004 2.470 30 10 JEEE C=CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1740880054 CBLROQIFVVWCEN-UNMCSNQZSA-N 460.623 2.103 30 10 JEEE C=CCN(c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCNS(=O)(=O)CC)C1CC1 1740910207 ACUVOUUETLJERY-KRWDZBQOSA-N 482.651 2.487 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1740988494 GPAKGAXEEKYDMO-OAHLLOKOSA-N 491.010 2.352 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1740990956 LATLMDBSDWSODT-OAQYLSRUSA-N 464.680 2.141 30 10 JEEE Cc1noc(C2(C)CCN(c3nnc(-c4ccc(C#N)cc4)n3CC(=O)NCC(F)F)CC2)n1 1742887296 BRLCRYPCRWBMMM-UHFFFAOYSA-N 470.484 2.448 30 10 JEEE C[C@@H]1CN(C(C)(C)Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@H](C(N)=O)C2)C[C@@H](C)O1 1743196358 APUPLQSMHPXROB-HLIPFELVSA-N 451.575 2.016 30 10 JEEE CNC(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCN(C)CC(F)(F)F)C1 1748189037 DBRANVFUEXMREO-KRWDZBQOSA-N 479.507 2.185 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)c(OC(F)F)c1 1748671969 ORICIDUXRJKKQM-UKRRQHHQSA-N 454.499 2.296 30 10 JEEE C#CCCCn1c(COc2ccc(C)cc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1748760854 IBJKIPRHMVGAPR-UHFFFAOYSA-N 450.587 2.323 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1Cc1cccc2cccnc12)[C@@H]1CCS(=O)(=O)C1 1748802728 RVFHFNAFUOQUJH-OAQYLSRUSA-N 494.621 2.420 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CCN1CCOCC1(C)C 1748944783 FIPJLBNSVQCBTK-FQEVSTJZSA-N 454.550 2.119 30 10 JEEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CNC(C)=O)CC1 1749046894 JLTVJVYZFUOIPV-UHFFFAOYSA-N 452.584 2.448 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(c2ncccc2F)CC1 1749661166 ZXAXDZZXWUSQQX-UHFFFAOYSA-N 451.506 2.117 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 1749666222 JJYKCNIDOGTEDM-GOSISDBHSA-N 453.591 2.328 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCN2CCOC[C@@H]2C)C1 1749701819 ZCZBERZBBVPUES-ICSRJNTNSA-N 457.575 2.464 30 10 JEEE C[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1ccc(C#N)cc1)N1CCOCC1 1751121440 BQHYTRPPCWRDAV-SFHVURJKSA-N 460.542 2.154 30 10 JEEE Cc1cc([C@@](C)(O)Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)c(C)o1 1751386056 CJYZQPCDJZBJIC-YKSBVNFPSA-N 499.593 2.470 30 10 JEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(=O)c2ccccc2)CC1 1760130514 JFCKGXJTHFOHRD-SFHVURJKSA-N 472.615 2.091 30 10 JEEE C#CCCCCn1c(-c2ccc[nH]2)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1760135769 IGQSWACQYCDXMC-QRQLOZEOSA-N 488.614 2.203 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2ccccn2)n1Cc1ccccc1CN1CCC[C@H]1CO 1760204429 PKQUWVQAMAPHLI-VWLOTQADSA-N 454.578 2.342 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCCCO2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1760219043 SRBMLEMZWCMGTH-PCCBWWKXSA-N 453.566 2.329 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccccc3Br)n2C[C@@H]2CCCCS2(=O)=O)CC1 1760259126 YXPDVNRNWJDPKS-KRWDZBQOSA-N 492.443 2.430 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCc2ccc(N(C)C)cc2)CC1 1760273221 LZBQWYYYYUPYKS-UPVQGACJSA-N 494.640 2.277 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](c2ccc(Cl)s2)C1 1760514524 IGWFLAYKXSIUSP-ZDUSSCGKSA-N 452.968 2.011 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)Cc1ccoc1C 1760553614 FUPQFCYMXXOIFE-UHFFFAOYSA-N 482.566 2.331 30 10 JEEE Cc1cccc(C(=O)NCCn2c(C(=O)Nc3ccccn3)nnc2N2CCC(C#N)CC2)c1 1761885673 FFBIZCUHHZVIID-UHFFFAOYSA-N 458.526 2.404 30 10 JEEE CNC(=O)CC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCOC2=O)CC1 1767737048 HHPRRMUXHNRHKC-UHFFFAOYSA-N 451.531 2.012 30 10 JEEE COC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCC[C@H](O)C2)CC1 1767960729 DHYCEDJHSHXKBE-MOPGFXCFSA-N 454.531 2.168 30 10 JEEE COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(C(=O)N(C)C)CCCC2)CC1 1769473548 DIHVKDVBFWAUPD-UHFFFAOYSA-N 465.558 2.354 30 10 JEEE COc1ccccc1-c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@@H](C)N(C)C 1770407368 BJWCLWTXGOVQJZ-MSOLQXFVSA-N 461.574 2.281 30 10 JEEE CS(=O)(=O)[C@@H]1CCCCN(c2nnc(-c3ccc(C#N)cc3)n2CCC2(O)CCOCC2)C1 1771344091 BTBATENATBBBAI-HXUWFJFHSA-N 473.599 2.152 30 10 JEEE N#Cc1cccc(-c2nnc(N3CCC(OCC(N)=O)CC3)n2C[C@H]2CSCCS2)c1 1771531202 FTUVOQROJDOGBF-SFHVURJKSA-N 458.613 2.136 30 10 JEEE C=CCNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1ccc2nc(-c3ccc(OC)c(OC)c3)[nH]c2c1 1861410534 BGVDZYINWLFICS-APWZRJJASA-N 450.495 2.125 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)[C@@H](C)Oc3cccc4c3C(=O)N(CCOC)C4=O)cc21 1865808878 GLWJRNMRDSMBCO-OAHLLOKOSA-N 464.474 2.491 30 10 JEEE COc1ccc(NC(=O)[C@H](CO)NC(=O)C2CCN([C@@H](C#N)c3cccs3)CC2)cc1[N+](=O)[O-] 1866867547 QBUXXXDHJDILGF-WMZOPIPTSA-N 487.538 2.057 30 10 JEEE C[C@@H](NC(=O)C[C@H](c1cccc(Br)c1)c1nn[nH]n1)C(=O)Nc1ccccc1C#N 1867246771 JTKGHOOXUARLOA-MLGOLLRUSA-N 468.315 2.499 30 10 JEEE CCCCCCCCn1cc(OCC(=O)Nc2nccs2)c(=O)cc1CN(CCO)CCO 1870503308 GFPMFVFIPZRSAQ-UHFFFAOYSA-N 480.631 2.469 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)COc2nonc2CC(=O)NCCc2ccccc2)nc1C 1872649289 SAKRHGKDLBMNKW-UHFFFAOYSA-N 485.522 2.096 30 10 JEEE COc1ccc(OC)c(NC(=O)CSc2nnc(C)n2/N=C/c2cnc(N(C)C)nc2)c1 1873501060 RGMBEQWNSCXWOV-FOKLQQMPSA-N 456.532 2.073 30 10 JEEE CCOc1cc(/C=N/n2c(COc3ccccc3OC)nnc2SCC(N)=O)ccc1O 1874289653 PINUZEHMMMSUCT-FOKLQQMPSA-N 457.512 2.430 30 10 JEEE Cc1ccc(N2CCC(C(=O)N3CCC(OCC#CCN4CCN(C(C)C)CC4)CC3)CC2)nn1 1889426044 GVXQCEMXWJCKGH-UHFFFAOYSA-N 482.673 2.038 30 10 JEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CCNCc2occc2B2OC(C)(C)C(C)(C)O2)C1 2157533557 WIPOFLPQMDBJPL-INIZCTEOSA-N 484.424 2.093 30 10 JEEE C#CCC[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 2230862891 QVHFDHUWDUOOKQ-MTHXSQLBSA-N 465.591 2.273 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@H](OC(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2256679955 PCNCZODCVCVKEC-LBPRGKRZSA-N 454.358 2.207 30 10 JEEE CC(C)(C)OC(=O)N1CCN(CCNC(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)CC1 2266994420 UKJULXMTJBYNOT-UHFFFAOYSA-N 465.425 2.330 30 10 JEEE Cc1csc(C(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)c1B1OC(C)(C)C(C)(C)O1 2267151492 JKIDUCSVCQBCSH-GJZGRUSLSA-N 466.409 2.313 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1CCO 2267290958 JZOQQYQSEMZEOT-HNNXBMFYSA-N 450.341 2.023 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1S(=O)(=O)NC[C@@H]1C[C@@H]1NC(=O)OC(C)(C)C 2267463515 BCTZRYHPPXMSRB-RDJZCZTQSA-N 466.409 2.486 30 10 JEEE CN(CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)C(=O)[C@H]1C[C@@H]1B1OC(C)(C)C(C)(C)O1 2267580384 GAGZUIWBLLSHMK-HOTGVXAUSA-N 451.373 2.006 30 10 JEEE CN(C(=O)OC(C)(C)C)C1CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)c(F)c2)C1 2267708333 IIONBEZUIFUETP-UHFFFAOYSA-N 470.372 2.365 30 10 JEEE CC[C@](COC)(NC(=O)OC(C)(C)C)C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2268642950 VFULWRACXJZNOY-OAQYLSRUSA-N 469.413 2.378 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)sc1CNC(=O)[C@@H](CN(C)C)NC(=O)OC(C)(C)C 2268645436 PFZBBZNNODDZRP-OAHLLOKOSA-N 467.441 2.427 30 10 JEEE CC1(C)OB(c2cscc2C(=O)NC2(C(N)=O)CCN(Cc3ccccc3)CC2)OC1(C)C 2281797972 BMGVCZSXPNNESZ-UHFFFAOYSA-N 469.416 2.297 30 10 JEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@@]1(O)CCCN(C(=O)OC(C)(C)C)C1 2281808173 UTRJCIMGDVQEDP-QHCPKHFHSA-N 464.368 2.379 30 10 JEEE Cn1ncc(C(=O)NCC2(F)CCN(C(=O)OC(C)(C)C)CC2)c1B1OC(C)(C)C(C)(C)O1 2281812416 SIZZTNBNYQGMBP-UHFFFAOYSA-N 466.363 2.188 30 10 JEEE Cc1nc(C(=O)Nc2n[nH]c(CCNC(=O)OC(C)(C)C)n2)c(B2OC(C)(C)C(C)(C)O2)s1 2282023977 VBIJCTQHAOFMCQ-UHFFFAOYSA-N 478.384 2.188 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 2282036053 CZZRKCOIGQLIJX-GJZGRUSLSA-N 460.384 2.095 30 10 JEEE C[C@@H](NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 2282042767 FIBCYEZRVRFAKL-HZPDHXFCSA-N 462.400 2.485 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1CO 2282107011 GETLQRNSCAJWIG-SFHVURJKSA-N 460.380 2.348 30 10 JEEE COCC[C@@H](CNS(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2282425212 MTGWVEKXRHWNMR-INIZCTEOSA-N 484.424 2.194 30 10 JEEE Cn1nc(C(=O)N[C@H]2C[C@@](F)(CNC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2282550609 BEWCYJFNMKEVSJ-XLXQAPSUSA-N 486.781 2.498 30 10 JEEE Cc1nn(C)c(C(=O)N2C[C@H]3C[C@H]2CN(C(=O)OC(C)(C)C)C3)c1B1OC(C)(C)C(C)(C)O1 2282565505 LEYAUMIGFPNYLQ-HOTGVXAUSA-N 460.384 2.109 30 10 JEEE Cn1cc(C(=O)N[C@H]2C[C@@H](CNC(=O)OC(C)(C)C)C2(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2282583298 ICFCWXZRAKUATH-HOCLYGCPSA-N 462.400 2.389 30 10 JEEE CC(C)(C)OC(=O)N1CCNC(=O)CCN(C(=O)C2CC(B3OC(C)(C)C(C)(C)O3)C2)CC1 2282649450 ZUELNXBJTWUHAZ-UHFFFAOYSA-N 465.400 2.444 30 10 JEEE CC(C)(C)OC(=O)N=S1(=O)CC2(CN(C(=O)c3cncc(B4OC(C)(C)C(C)(C)O4)c3)C2)C1 2282665770 RYGVOVRSZTVAEM-UHFFFAOYSA-N 477.392 2.240 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2O)c1 2282687347 FHWUHZQMGSVFHX-RTBURBONSA-N 460.380 2.394 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@@H]2[C@H](NS(=O)(=O)c3cncc(B4OC(C)(C)C(C)(C)O4)c3)[C@H]21 2282830210 QKFLCXUJMFSUPA-SQNIBIBYSA-N 479.408 2.057 30 10 JEEE COC(=O)[C@@H](CC(=O)NCc1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1)NC(=O)OC(C)(C)C 2283925593 BUHXVUJMJJTFRO-OAHLLOKOSA-N 482.408 2.428 30 10 JEEE NC(=O)CSc1nnc(Cc2ccc(F)cc2)n1N=Cc1cc2c(cc1[N+](=O)[O-])OCCO2 2329826480 IPUBWDRKJBJHKF-UHFFFAOYSA-N 472.458 2.147 30 10 JEEE C=C(C)CSc1nnc(CNC(C)=O)n1N=Cc1ccc(OCCN2CCOCC2)c(OC)c1 2330752869 ZAJYUQJCNHWMJL-UHFFFAOYSA-N 488.614 2.184 30 10 JEEE CC(C)(C)OC(=O)N1CC(F)(F)[C@@](C)(NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2361663357 VJGDPHLNPCWRKI-FQEVSTJZSA-N 468.310 2.150 30 10 JEEE COC(=O)c1[nH]c(C)c(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(F)cc2)c1C 102530296 QJLGWASVVJBBSL-DQVIVYRFSA-N 485.512 2.311 30 10 JEEE CC(C)C(=O)N1CCC(C(=O)[C@@H](C#N)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)CC1 916948023 CEIYQEZUXJMNIU-OAQYLSRUSA-N 488.610 2.403 30 10 JEEE Cc1nn(C(C)C)c(C)c1C=NNc1nnc(SCC(=O)NC2CC(C)(C)NC(C)(C)C2)n1N 1084195399 PPSUGPWLFTYCMB-UHFFFAOYSA-N 490.682 2.350 30 10 JEEE Oc1ccc(Cc2ccccc2)cc1C=NNc1nc(N2CCOCC2)nc(N2CCOCC2)n1 1084287874 BNJKRNJDDKKUTK-UHFFFAOYSA-N 475.553 2.287 30 10 JEEE CCOc1cc(C=NNc2nnc(SCC(=O)NCc3ccc(C)cc3)n2N)ccc1O 1084293028 YUCANUIRTFXDDE-UHFFFAOYSA-N 455.544 2.259 30 10 JEEE CCn1cc(C=NNc2nc(SCC(=O)N3CCc4cc(OC)c(OC)cc4C3)n[nH]2)cn1 1084570539 IFJDORPLHJLSRA-UHFFFAOYSA-N 470.559 2.161 30 10 JEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2CCCS(=O)(=O)[C@@]2(C(F)(F)F)C1 1181103354 JWNYTEDSHJGZEL-DEYYWGMASA-N 452.495 2.261 30 10 JEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1286356988 WYFMHOSKAYDFIL-UHFFFAOYSA-N 497.669 2.254 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@H]1CCCN(C(C)=O)C1 1286459944 XAOZFVVKPRSSHB-OAQYLSRUSA-N 461.570 2.475 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2CCCc2nc(C)no2)CC1 1286491996 DQINNGHICSJDTN-UHFFFAOYSA-N 481.532 2.286 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1286568162 XVYMSGNFXLFJLZ-DENIHFKCSA-N 474.631 2.105 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 1286789640 IETCMMIAHCYHTJ-UHFFFAOYSA-N 464.595 2.256 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1 1286789722 WAWUVBSAKGFJCU-PMACEKPBSA-N 481.601 2.402 30 10 JEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCCN(c2ccc(OC)cc2)CC1 1286789939 JEJAJJGGTVPONU-UHFFFAOYSA-N 478.601 2.167 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1286793278 BQQMJMOUCOUPFS-YTZAWJCFSA-N 490.605 2.037 30 10 JEEE C=CCNC(=O)Cn1c(N2CCN(c3ccccc3F)C[C@H]2C)nnc1[C@@]1(OCC)CCOC1 1286793617 ICKLPCLEJYPSIC-HOYKHHGWSA-N 472.565 2.087 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C)O[C@H](c2ccccc2)C1 1286814203 NEDXTOARJAPRNT-QUCCMNQESA-N 496.593 2.493 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](CCOC)C1 1286815567 XBKYONTWYIUVSI-CQSZACIVSA-N 472.409 2.499 30 10 JEEE CC(=O)NCCN(Cc1ccc(C)s1)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(O)CCN(C)C1 1286954571 DMARABZBZHFMSZ-VWLOTQADSA-N 493.637 2.396 30 10 JEEE CC(C)Cc1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1CC(=O)N1CCOCC1 1287424918 ABAPOGXRURZHQI-UHFFFAOYSA-N 452.559 2.255 30 10 JEEE C#CCCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC(NS(C)(=O)=O)CC1 1300349061 UIXUYIPWJYYKKZ-UHFFFAOYSA-N 461.588 2.284 30 10 JEEE C#CCCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCNC(=O)[C@@H]1CC 1300370785 CSNNALCNVZUDEQ-QHCPKHFHSA-N 463.630 2.161 30 10 JEEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCc2cc(OC)ccc21 1300509764 UNMGOVPFEKGKPS-PKOBYXMFSA-N 455.584 2.090 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2CCC2(O)CCOCC2)CC1 1300691230 QIIZBXOIGMGMIU-UHFFFAOYSA-N 483.613 2.429 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCN(CC)C2)CC1 1300731326 OHHHCTVSHMDHDS-OAQYLSRUSA-N 475.597 2.036 30 10 JEEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1300745871 OBZHUGLTRHDABN-RHSMWYFYSA-N 478.504 2.443 30 10 JEEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1300862631 BLEBQBAFPAIKIR-GDBMZVCRSA-N 459.352 2.415 30 10 JEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1300973220 WFHBNDFVEWTVCI-KDURUIRLSA-N 474.606 2.410 30 10 JEEE C=CCCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(CC(=O)N(C)C)CC1 1301189093 RDRXSPXPPUZQGG-OAQYLSRUSA-N 454.575 2.357 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@H](CCOC)C1 1301483194 KBJJYJOOMOORMD-CQSZACIVSA-N 451.369 2.211 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN([C@@H](C)c2nccs2)CC1 1301513859 AOGBWTQYRNYQQK-SFHVURJKSA-N 492.609 2.371 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](CC)c2ccccc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1301568458 GZWLBPQDVNDIRV-FQEVSTJZSA-N 482.610 2.077 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCN(c2nccnc2C)CC1 1301587504 PXPOIHHTONMYJK-UHFFFAOYSA-N 485.589 2.034 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1301593998 ZTZFHTXWWXGKIN-XXBNENTESA-N 476.599 2.151 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC(NC(=O)NC2CCCCC2)CC1 1301596646 UYUMXAXBPYYVBU-HXUWFJFHSA-N 494.662 2.331 30 10 JEEE COCCN1C[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(CC(C)C)C(=O)[C@H]2C)CC1=O 1301859987 GWZSXLQAWFIVHG-CTNGQTDRSA-N 493.612 2.005 30 10 JEEE Cc1nc(N2CCOCC2)sc1-c1nnc(N(C)C[C@H](C)C#N)n1CCC(=O)NC(C)C 1304057822 DCCOAOFMBMYXBX-OAHLLOKOSA-N 460.608 2.057 30 10 JEEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)C2CC2)C[C@H](C(F)(F)F)O1 1305204546 AYTMLXDFCPBABQ-KBXCAEBGSA-N 478.475 2.411 30 10 JEEE CCn1cnnc1Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@](F)(C#N)C1 1313857044 FCJIMEYRCVYTDQ-KSFYIVLOSA-N 473.557 2.494 30 10 JEEE C#CCN(c1nnc(-c2cnn(-c3ccccc3)c2)n1CCCCOC)[C@H]1CCS(=O)(=O)C1 1358961214 UJPAJQRSBKLZFH-NRFANRHFSA-N 468.583 2.184 30 10 JEEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1CC[C@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1358967353 IYJNLQIOXGZYIS-TZIWHRDSSA-N 488.610 2.452 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOC1CCCCCC1 1359070977 ZGGWSOKDQUHBJG-NFBKMPQASA-N 479.647 2.343 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCOC(C)(C)[C@@H]1C 1359333599 CTUWSNMCMIONTH-KRWDZBQOSA-N 458.588 2.121 30 10 JEEE C=CC1(CC(=O)N(CCN(CC)CC)[C@H]2CCS(=O)(=O)C2)CN(C(=O)OC(C)(C)C)C1 1446314332 UTSUOIISYCUFCN-SFHVURJKSA-N 457.637 2.157 30 10 JEEE C=CCc1cc(CNC(=O)NCc2ccc(CN3C(=O)CNC3=O)cc2)cc(OC)c1OC 1468361066 GCCHRHNOAGDIDS-UHFFFAOYSA-N 452.511 2.484 30 10 JEEE CCN(C)C(=O)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC[C@](C)(C#N)C1 1501428650 AKMSIGGMJXTZQF-AREMUKBSSA-N 478.645 2.251 30 10 JEEE CCOc1ccc(O[C@@H](C)c2nnc(N(C)C[C@@H](C)C#N)n2CC(=O)N2CCOCC2)cc1 1502850786 GZNNAFVTODFBHI-ROUUACIJSA-N 456.547 2.271 30 10 JEEE C#CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1507554579 ULKXMIOMUPLFQB-LJQANCHMSA-N 469.977 2.221 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(N(C)C)CCC1 1507701074 YCMLZRWUMRFMJX-QGZVFWFLSA-N 462.595 2.152 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2Cc2cccnc2OCCOC)CC1 1507725172 QJWVOLSFOJJTBB-UHFFFAOYSA-N 462.554 2.177 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2c(F)cc(F)c(F)c2F)CC1 1507737609 APSPRDKUUAFDLI-CQSZACIVSA-N 465.451 2.353 30 10 JEEE C#CCSCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1507748671 SWUVSDPZYAUWBR-KRWDZBQOSA-N 494.415 2.034 30 10 JEEE C=C(Br)Cn1c(Cc2ccncc2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1507787141 CHHIPXIMZKMVLF-UHFFFAOYSA-N 483.436 2.423 30 10 JEEE C=C(Br)Cn1c(N2CCC[C@@H](C(=O)NC)C2)nnc1[C@]1(OC(C)C)CCOC1 1507792665 JKGFFRLCVKSSLC-BEFAXECRSA-N 456.385 2.190 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)COC)CC1 1507848864 PLNAFCRQSWQVOY-IBGZPJMESA-N 492.621 2.238 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1508083891 DOENSNUQSCIFFE-LJQANCHMSA-N 469.590 2.402 30 10 JEEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](C[C@H]2CCOC2)C1 1508091469 LSZAVYSMIWCOLR-QZTJIDSGSA-N 472.615 2.215 30 10 JEEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCOC2CCOCC2)[C@H](C)C1 1508237920 ULPQJUKNDNYLRL-GOSISDBHSA-N 452.559 2.459 30 10 JEEE Cc1nn(C)c(N2CCN(C(=O)c3ccc(CS(=O)(=O)c4ccccc4)o3)CC2)c1C#N 1516397179 GUQSWDBCQIULPL-UHFFFAOYSA-N 453.524 2.130 30 10 JEEE COCC(C)(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@](F)(C#N)C1 1518674626 GDDGLTXTPWADIV-OAQYLSRUSA-N 464.567 2.310 30 10 JEEE C#CCOc1ccc(COC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCOCC2)cc1 1528484049 KNAXTGDCKZKUDA-UHFFFAOYSA-N 458.536 2.143 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)NC[C@@H](C)c2ccc(S(C)(=O)=O)cc2)ccc1F 1532370582 VSHJIHKFUUKMMK-CQSZACIVSA-N 454.545 2.227 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(Br)cc2)n1Cc1nnnn1CC1CC1 1539399292 JSODBAYAGNSUNN-UHFFFAOYSA-N 471.363 2.238 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(OC3CCCC3)cc2)CC1 1539432227 YWPQWABQKUSITR-IBGZPJMESA-N 486.642 2.013 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc4c(s3)CC[C@H](C)C4)n2CCCNS(=O)(=O)CC)CC1 1539438497 YTAYAVRKRYOGQO-SFHVURJKSA-N 490.699 2.216 30 10 JEEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2cccc(NC(=O)CC(C)C)c2)CC1 1539459896 RKODQWNXUWHICB-UHFFFAOYSA-N 477.613 2.189 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CC[C@H](C(F)F)N2CCOCC2)CC1 1539480500 AKQXLBYYWNZLLH-LJQANCHMSA-N 480.604 2.189 30 10 JEEE C#CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(S(=O)(=O)CC)CC1 1539506300 JIIOCEGTKOYCPV-UHFFFAOYSA-N 476.624 2.486 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1539637606 RLUWIVCGAFBMCL-PGRDOPGGSA-N 474.631 2.153 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC(CC(=O)N(C)C)CC1 1539642256 IGGAGHOLZZLWGU-CVDCTZTESA-N 458.607 2.076 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1539643330 MBQIORHBIAXATF-KNKQGSTJSA-N 458.607 2.123 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1540866412 MPZTUJXORLWGQH-UHFFFAOYSA-N 470.965 2.223 30 10 JEEE Cc1nc(CCn2c(C(=O)NC(C)C)nnc2N2CCN(c3ccc(C#N)cn3)CC2)cs1 1542934575 DCIRFKOHIHJPBG-UHFFFAOYSA-N 465.587 2.017 30 10 JEEE COCC(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2ccncc2)CC1 1555209935 DFFMTLAUZREZTP-UHFFFAOYSA-N 475.553 2.098 30 10 JEEE COCCN1C[C@@H](Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N(C)[C@@H](C)CC#N)CC1=O 1555571453 FDNWRAQMRVTJFM-OALUTQOASA-N 467.574 2.381 30 10 JEEE CS(=O)(=O)NCCn1c(-c2ccc(F)cc2Br)nnc1N1CCC(C#N)CC1 1555817688 HPQFNKFODVKXBO-UHFFFAOYSA-N 471.356 2.136 30 10 JEEE N#CCCN(CC1CC1)c1nnc(COc2ccc(F)cc2)n1CC1(O)CCS(=O)(=O)CC1 1555995451 HVDUXAYEQIYMQM-UHFFFAOYSA-N 477.562 2.066 30 10 JEEE C#CCCCCn1c(Cc2ccccn2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1587773186 DDKZEHBIEPFIHZ-UHFFFAOYSA-N 460.586 2.447 30 10 JEEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 1587898323 NXGBHBBGUCBCDK-UGKGYDQZSA-N 455.534 2.403 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CCc1ccsc1)[C@H]1CCS(=O)(=O)C1 1588030706 ZXOCNBQILRAWKB-SFHVURJKSA-N 463.629 2.127 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@]1(N(C)C)CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1588073772 DKUTUNHVXKUAHN-URFJDIBFSA-N 463.648 2.267 30 10 JEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCNC(=O)c1ccc(C)cc1 1588124860 UQESTMSYSSSGPI-UHFFFAOYSA-N 489.605 2.049 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CC2(N(C)C)Cc3ccccc3C2)CC1 1588733160 OROLZDGACMBDAQ-UHFFFAOYSA-N 477.657 2.051 30 10 JEEE C#CCSCCn1c(-c2cccc3cccnc23)nnc1N1CCN(C(=O)COC)CC1 1589036421 GYROAJPRRSSTHU-UHFFFAOYSA-N 450.568 2.155 30 10 JEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2CN(C(=O)OC(C)(C)C)C2)CC1 1594192455 IMKIQABQNROJRU-OAHLLOKOSA-N 468.624 2.158 30 10 JEEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 1594733867 ZFCJHZKGLOAHAV-BRWVUGGUSA-N 453.609 2.496 30 10 JEEE C=CCn1c(Cn2nc(C)cc2C)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 1595434780 QZXPDTABBJYKRZ-UHFFFAOYSA-N 455.588 2.227 30 10 JEEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)C[C@@H]1CC=CCC1 1595529950 NPKXDZKTXLGFQV-QGZVFWFLSA-N 457.604 2.333 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C2CC(C(C)(C)C)C2)C1 1595729434 MLGXLIWCDUSMMY-CSODTCANSA-N 467.636 2.390 30 10 JEEE CC(C)SCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1611125625 DAWOUCKWQXPKCH-SFHVURJKSA-N 491.687 2.224 30 10 JEEE C=CC[C@H](NC(=O)c1cc(I)ccc1N1CCOCC1)C(=O)OCC 1611408198 ILLCFQYLFBMAHA-HNNXBMFYSA-N 458.296 2.365 30 10 JEEE C#CCN1CCN(C(=O)CSc2nnc(CN3CCCCC3)n2Cc2ccccc2)CC1 1652384671 IEOSOYJCXGKFDC-UHFFFAOYSA-N 452.628 2.182 30 10 JEEE C#CCC1(NCC(=O)NCCN2C(=O)S/C(=C\c3ccc(OC)c(OC)c3)C2=O)CCC1 1654870636 GWHHCMNNJWLUOP-RGEXLXHISA-N 457.552 2.392 30 10 JEEE C#CCOc1cc(F)ccc1NC(=O)N(C)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 1675023690 SDMBMRFIHVNYTL-UHFFFAOYSA-N 450.448 2.188 30 10 JEEE N#CCOc1cccc(CNC(=O)N2CCC([C@@H]3OCC[C@H]3NC(=O)C(F)(F)F)CC2)c1 1678717594 FHJPCDHPSJLWJT-MSOLQXFVSA-N 454.449 2.347 30 10 JEEE C#CCN(C(=O)NCCN1C(=O)COc2ccccc21)C1CCN(C(=O)OC(C)(C)C)CC1 1681541456 WANFGLPZUCVYPY-UHFFFAOYSA-N 456.543 2.456 30 10 JEEE C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1)c1ccc(F)cc1 1686916877 XSKSJRFKWHOANG-MRXNPFEDSA-N 459.528 2.221 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1OC1CCCC1 1689853763 YDSMBSQFOYRUCZ-PGRDOPGGSA-N 487.626 2.439 30 10 JEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CC(C)(C)c1ccccc1F)[C@H]1CCS(=O)(=O)C1 1689978024 JZTATESTGIXXSN-SFHVURJKSA-N 487.601 2.258 30 10 JEEE C#CCN(c1nnc(C(C)C)n1CC1CCN(CC(F)(F)F)CC1)[C@@H]1CCS(=O)(=O)C1 1689980387 QQZZMKHMJGUQSE-QGZVFWFLSA-N 461.554 2.303 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1CCc1ccc(C)cc1C)[C@H]1CCS(=O)(=O)C1 1689988499 QCEWEZXOMYHBJE-FQEVSTJZSA-N 450.568 2.221 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccc(F)cc2)n1Cc1cccnc1N1CCOCC1 1690027095 YYELDDMLPVJOFI-UHFFFAOYSA-N 460.513 2.349 30 10 JEEE C#CCN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1690075615 PKHLHZCERMRPSK-SFHVURJKSA-N 494.662 2.134 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CCOc2cccc(F)c2)CC1 1690148318 CHYRGWCANYQKSK-UHFFFAOYSA-N 462.529 2.448 30 10 JEEE C#CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1690186178 LUUGITWQJPJAGQ-MSOLQXFVSA-N 489.646 2.273 30 10 JEEE C=C(C)CN(CC)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1690254998 MUGKCEIAEQWCRY-MOPGFXCFSA-N 464.636 2.121 30 10 JEEE C=C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCCn2cc(CO)nn2)CC1 1690363051 YPASQIXABFGMPV-UHFFFAOYSA-N 470.965 2.192 30 10 JEEE C=CCSCCn1c(N2CCS(=O)(=O)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1690752821 SAYOIRQXSQHNSJ-IYBDPMFKSA-N 471.649 2.203 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCC(C)CC2)nc1 1705495189 LUSXHHCOIRPEGH-ICSRJNTNSA-N 456.616 2.318 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2cccc(C)c2C)n1CC[S@@](=O)CC)[C@@H]1CCS(=O)(=O)C1 1705561880 WVHXDIIPAYEAKI-PAOLZVMYSA-N 492.667 2.430 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1CCCOc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1705564024 JOJZQNSGEIZGHU-LJQANCHMSA-N 481.578 2.445 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCO[C@H]1C(C)C)[C@@H]1CCS(=O)(=O)C1 1705568555 PUOCRIZYDRSGNQ-IMSXRSKXSA-N 497.621 2.417 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](C)N1CCN(CC)CC1 1705612615 KOGAPNLHGKPADJ-SFTDATJTSA-N 489.665 2.072 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2Cc2c(CC)nn(C)c2OC)CC1 1705636260 CXNPSJQNOUGJKZ-UHFFFAOYSA-N 479.585 2.070 30 10 JEEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1705642007 CKRCASYEPMNOJS-NRFANRHFSA-N 471.627 2.054 30 10 JEEE C#CCN1CCN(c2nnc(CSc3ccccc3OC)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1705643954 WKQKECCDPNQDLL-FQEVSTJZSA-N 468.627 2.249 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCO[C@@H]2C(=C)C)CC1 1705651432 WQNUYFRMEIHMLB-SIKLNZKXSA-N 496.637 2.217 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 1705652514 BYVUGFISPABESZ-LJQANCHMSA-N 488.633 2.428 30 10 JEEE C#CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCCOC 1705661818 JQNIQKWMMOCGDX-QGZVFWFLSA-N 453.609 2.426 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1cccn(CC)c1=O 1705670352 QNMGRPIRCXJTRR-RUZDIDTESA-N 494.621 2.417 30 10 JEEE C=CCC(C)(C)Cn1c(C2CCCC2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1705790929 JSXNTVKUVDPUNC-UHFFFAOYSA-N 458.607 2.045 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1705898673 SWPRULHIOLAEQI-LJQANCHMSA-N 494.600 2.389 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CC(C)(C)C(=O)NC)C1 1705921964 COOFBOAMVTXMOI-QGZVFWFLSA-N 479.585 2.228 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCO[C@H](C(F)(F)F)C1 1705931457 PWLZORCBUSJQAX-KRWDZBQOSA-N 490.504 2.331 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN2CCCC[C@H]2C1 1705931575 UHPZTTKEYHIDGN-IBGZPJMESA-N 460.560 2.129 30 10 JEEE Cc1nn(C)c(N2CCN(c3nnc(C(=O)NC(C)C)n3CCCc3ccccc3F)CC2)c1C#N 1707807540 DGNJHEVEEZXTHF-UHFFFAOYSA-N 493.591 2.428 30 10 JEEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CC2(C)CCOCC2)c1 1711017889 DLELUKGFHOWQBS-QFIPXVFZSA-N 476.578 2.454 30 10 JEEE COCC[C@@](C)(O)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCO[C@@H](C#N)C1 1712320049 CGIBDLYHKPJGPK-MGPUTAFESA-N 480.363 2.232 30 10 JEEE COCCN1C[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(F)(F)C2)CC1=O 1712472579 BTQNRDHTHNXSRZ-KRWDZBQOSA-N 460.485 2.069 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1722301573 CJFLCRDUYVEMPY-KUHUBIRLSA-N 455.005 2.231 30 10 JEEE C#CCN(c1nnc(-c2cc(C)nc3ccccc23)n1CC[S@](=O)CC)[C@@H]1CCS(=O)(=O)C1 1722364572 LWBJLCNPCLLLIN-ZUQCGGBESA-N 485.635 2.197 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCc1cc(F)cc(F)c1)[C@H]1CCS(=O)(=O)C1 1722371118 HDKHBIMCTJVOPV-NRFANRHFSA-N 488.564 2.287 30 10 JEEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CC(C)(C)NC(=O)OC(C)(C)C 1722380701 VNOZDVLWFWSLBM-UHFFFAOYSA-N 454.531 2.382 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCn2ccnc21 1722417379 FROGXFYGEFMBNW-IEBWSBKVSA-N 485.589 2.441 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2Cc2c(C)noc2C)CC1 1722432846 HBSLULFZSBYZBQ-UHFFFAOYSA-N 466.542 2.379 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1722688350 CFADOOKRFXJXGO-KDOFPFPSSA-N 471.493 2.129 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cn2ccc3ccccc32)nnc1N1CCC[C@H](C(=O)OC)C1 1722730295 NXXKRYKLSYPYFE-IBGZPJMESA-N 471.583 2.271 30 10 JEEE Cc1ccc(-c2nc(Cn3c([C@H]4CN(S(C)(=O)=O)CCO4)nnc3N(C)[C@H](C)CC#N)co2)cc1 1724280279 ARBPKUXAVWYOLH-YLJYHZDGSA-N 499.597 2.361 30 10 JEEE CS(=O)(=O)CCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(CC#N)CC1 1731003996 ADVOUDVNYMPPKV-UHFFFAOYSA-N 455.544 2.159 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@H]1CSCCS1)[C@@H]1CCS(=O)(=O)C1 1740623608 XSEVIYUQJGBRPW-SJORKVTESA-N 463.654 2.124 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H]1CC[C@@](C)(CC)O1)[C@@H]1CCS(=O)(=O)C1 1740626075 RTQZJZGAXMNWSP-ZRCGQRJVSA-N 457.600 2.238 30 10 JEEE C#CCN(c1nnc(COCC)n1C[C@@H](C)N(CC)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1740627703 JLQRBWXTEBSVNO-MSOLQXFVSA-N 483.635 2.087 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@@H]1CCCCN1CC)[C@@H]1CCS(=O)(=O)C1 1740628428 QIFWQZHWOKLMRU-VQTJNVASSA-N 489.617 2.497 30 10 JEEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1Cc1cccc(CN2CCO[C@H](C)C2)c1 1740631521 JZBBKFXQJSKIKE-AMGIVPHBSA-N 477.609 2.272 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](Cc2ccccc2)OC)CC1 1740708574 UQNLMFRILOXOOI-DEOSSOPVSA-N 489.624 2.363 30 10 JEEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1740721007 UOQAKPPSLSIGQI-QGZVFWFLSA-N 453.659 2.404 30 10 JEEE C=C(Br)Cn1c(-c2ccccc2OC)nnc1N(C)CC(=O)N1CCOCC1 1740740980 BDBOVISZUXSHRN-UHFFFAOYSA-N 450.337 2.157 30 10 JEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 1740888918 XEKXQRCKJVGRDP-QGZVFWFLSA-N 461.544 2.244 30 10 JEEE C=CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN/C(O)=C1\N=CC=CC1=O)C1CC1 1740908487 ZMBSPGMWMSDHJH-LSDHQDQOSA-N 482.566 2.030 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCCO1 1740937638 KZCUFGAPDWKMCD-WOJBJXKFSA-N 479.603 2.008 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CC(C)(C)C(C)C 1741675512 BQKQDRCMRJYNTR-KRWDZBQOSA-N 453.595 2.475 30 10 JEEE CC(C)NC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1741702673 DSOBBVABBDOKOS-IBGZPJMESA-N 481.601 2.384 30 10 JEEE CCn1nc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2CCS(=O)(=O)CC)c2ccccc2c1=O 1746471306 DBEDMJBAMOGUPX-HSZRJFAPSA-N 483.598 2.240 30 10 JEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCNC(=O)c1cccc(OC)c1 1748773812 HLEZTUKYSXVUPQ-UHFFFAOYSA-N 495.609 2.055 30 10 JEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)NC1CCCCC1 1748790490 YXQWRPXXFVNBDX-GOSISDBHSA-N 460.579 2.105 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCCOCC1CC1)[C@H]1CCS(=O)(=O)C1 1748808515 DUZMXBHRKAJNPP-NRFANRHFSA-N 453.568 2.260 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1CC(C)(C)COC)[C@@H]1CCS(=O)(=O)C1 1748818923 HRJAHCUGZXNRDK-LJQANCHMSA-N 460.600 2.177 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1CCCN1CCCO[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1748820729 IATXHKINLCYUHB-LADGPHEKSA-N 499.681 2.191 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H]2CC(F)(F)CO2)CC1 1749016939 QOHIRBFSCVJNEC-SFHVURJKSA-N 461.488 2.398 30 10 JEEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(COC)CC1 1749024741 ZWUUFYIMUQCHEG-UHFFFAOYSA-N 477.656 2.425 30 10 JEEE C#CCSCCn1c(CC)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)C2(CCS(=O)(=O)CC2)C1 1749037321 AKNVQOMJCIQPKQ-QGZVFWFLSA-N 497.687 2.115 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCN2CCCC[C@H]2CC)CC1 1749303692 NIOKZWXGZCTSFM-WOJBJXKFSA-N 466.652 2.032 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C)no1 1749546876 GACZFKNKTCDDRJ-FQEVSTJZSA-N 490.561 2.287 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(OC)CCOC1 1749554183 QGEXXTOBLZKOKH-OXQOHEQNSA-N 452.602 2.240 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CCCN(C(=O)C2CC2)CC1 1749653152 XAEYVUCXIQWLAY-UHFFFAOYSA-N 487.402 2.459 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](CNC(=O)c2ccccc2)C1 1749669552 IQHTUJDKBQHCJL-PZJWPPBQSA-N 466.586 2.121 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1749682049 NPODURZZEGBJOF-SBUREZEXSA-N 473.599 2.265 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CC[C@H](N2CCCC2=O)C1 1749724655 MSPGAOGXJFXBHH-FQEVSTJZSA-N 457.600 2.309 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CC[C@]3(CCSC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1749740340 USGMZQMTCRPVQM-SFTDATJTSA-N 470.661 2.253 30 10 JEEE CC1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCCS2(=O)=O)CCO1 1751298791 ASXSIDJZMAFCEP-LJQANCHMSA-N 459.572 2.311 30 10 JEEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCC(=O)NC(C)(C)C 1760121388 VGKSENYDOYSMKZ-NRFANRHFSA-N 465.646 2.406 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(O)CC(OCC)C1 1760248513 AXQXPWUUQUPMTF-IXCHTMLJSA-N 491.633 2.409 30 10 JEEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCC(NC(=O)C2CC2)CC1 1760301478 BXTMOGJZUZOWQR-AWEZNQCLSA-N 456.385 2.406 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(CCCc3ccccc3)n2CC2(O)CCS(=O)(=O)CC2)C1 1760549439 DSGZEQGWHQHHFM-NRFANRHFSA-N 474.627 2.174 30 10 JEEE CCN1CCN(CCCn2c(-c3nnc(O)c4ccccc34)nnc2N(C)[C@H](C)CC#N)CC1 1767156331 BQDRMWXXRLEILP-GOSISDBHSA-N 463.590 2.360 30 10 JEEE C=CCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CC(=O)N(CCc2ccc(OC)c(OC)c2)C1 1861590875 WTOICURSVWBGRX-YADHBBJMSA-N 479.577 2.125 30 10 JEEE C=CCOc1ccccc1[C@H]1C(C(=O)NCCO)=C(N)Oc2c1c(CC)nn2-c1ccccn1 1864326711 JEWNFEOABKPVKZ-HXUWFJFHSA-N 461.522 2.198 30 10 JEEE CC(C)(C)OC(=O)N(CCC(=O)N[C@H](CO)C(=O)Nc1ccc(C#N)cc1)Cc1ccccn1 1867080140 GZULMMSXUYEPMH-HXUWFJFHSA-N 467.526 2.196 30 10 JEEE CC(=O)N(CCN)C(=O)[C@@H](Cc1ccccc1)NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1 1868794751 GASCMRKIWCMBPR-FGZHOGPDSA-N 481.622 2.086 30 10 JEEE N#Cc1nnn(Cc2cc([N+](=O)[O-])cc3c2OCOC3)c1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1870112774 WHWPKXSMVYMLSA-UHFFFAOYSA-N 496.352 2.041 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)OCCOc2ccccc2)cn1C[C@H](C)O 1870328527 DEUGIXNITFVUDI-FQEVSTJZSA-N 456.539 2.404 30 10 JEEE N#Cc1ccc(COc2cn(Cc3ccc(F)cc3)c(CN(CCO)CCO)cc2=O)cc1 1870348198 NMUANBMUUUATQV-UHFFFAOYSA-N 451.498 2.273 30 10 JEEE CCCNC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1ccc2c(c1)OCCO2 1874336798 DHMAKSMQOGOESV-YTIGJDNKSA-N 486.598 2.274 30 10 JEEE Cc1cc(C)c(C(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)c(Br)n1 1891038241 KHAFLQOQDZWJQX-UHFFFAOYSA-N 463.420 2.333 30 10 JEEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cccnc2C#N)CCN1C(=O)OC(C)(C)C 1965792983 SSWDICUATPVRDM-UHFFFAOYSA-N 467.548 2.347 30 10 JEEE CC(C)(C)OC(=O)NC1CCN(CC(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)CC1 2206636934 UVDGBOLGBJEOAH-UHFFFAOYSA-N 460.384 2.308 30 10 JEEE Cn1nc(C(=O)NC2CN(C(=O)OCc3ccccc3)C2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2247912611 JIDOREBJBBPKSB-UHFFFAOYSA-N 474.754 2.124 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N=c2nc(CCNC(=O)OC(C)(C)C)[nH]s2)C1 2255154441 VEWDBVBUENQSNA-UHFFFAOYSA-N 465.576 2.272 30 10 JEEE CC(C)(C)OC(=O)N1CC([S@](C)(=O)=NC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2255812345 NKVXLEBGMMDKET-HKBQPEDESA-N 471.410 2.300 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1F 2266977280 XCWYTIDRYZUCQV-DLBZAZTESA-N 450.316 2.147 30 10 JEEE CC[C@H](CN(CC)C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2267004524 GHSXBNNOEYSALB-OAHLLOKOSA-N 450.389 2.485 30 10 JEEE CN(Cc1nc(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)n[nH]1)C(=O)OC(C)(C)C 2267191224 ZGVHXSJEKVGAEZ-UHFFFAOYSA-N 464.357 2.180 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@@H](NC(=O)C(F)(F)F)C[C@H]1C 2267521200 ROZKLLBBISHBNK-ZYHUDNBSSA-N 461.315 2.422 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CCNC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C(F)(F)F 2267526554 UOHVISJGGQVNFP-GFCCVEGCSA-N 462.278 2.284 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H]1CNS(=O)(=O)c1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2267708031 CBEOTXQABDOGKL-HNNXBMFYSA-N 470.372 2.413 30 10 JEEE C[C@@H]1CCN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C[C@H]1NC(=O)C(F)(F)F 2267712282 DECIVEJXLIFONE-DGCLKSJQSA-N 482.355 2.125 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)c1F 2268636655 GBTPFAUMUFMITG-BBRMVZONSA-N 450.316 2.434 30 10 JEEE CC(C)(C)OC(=O)NCCOCC(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2269694776 ZQTGUESPZVENFG-UHFFFAOYSA-N 452.332 2.282 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1[C@H]2C[C@@H](CN(c3cccc(B4OC(C)(C)C(C)(C)O4)n3)C2)[C@H]1CO 2281502802 YRBNCLWZVPMJAY-MIALQEHNSA-N 459.396 2.339 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1[C@H]2C[C@@H](CN(c3cccc(B4OC(C)(C)C(C)(C)O4)n3)C2)[C@@H]1CO 2281502804 YRBNCLWZVPMJAY-OGNFBWPZSA-N 459.396 2.339 30 10 JEEE Cc1c(C(=O)NC[C@@H]2[C@@H]3C[C@@H]3CN2C(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281807462 QGUADHBOIIKSSU-BZUAXINKSA-N 460.384 2.013 30 10 JEEE CC(C)(C)OC(=O)N1CCC([C@H](F)CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CC1 2281980024 RMBMFDNZEMXZCE-OAHLLOKOSA-N 466.363 2.424 30 10 JEEE CC(C)(C)OC(=O)NC1CC(C[S@](C)(=O)=NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2281991390 ZMBNMMGJESSXRM-ICZALSQNSA-N 482.412 2.250 30 10 JEEE Cc1c(C(=O)N[C@@H]2[C@@H]3CCCN(C(=O)OC(C)(C)C)[C@@H]32)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281992080 JTFSVDQJMWMFMX-UAGQMJEPSA-N 460.384 2.155 30 10 JEEE CCc1nc(C(=O)N2C[C@H](O)C[C@H]2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2282031839 YJXOZGSHZWHLOV-UONOGXRCSA-N 481.424 2.105 30 10 JEEE CCn1cc(C(=O)N[C@@H]2C[C@@H]3[C@H]2CCN3C(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2282039253 SCQGYJAXJXSLEZ-ZMSDIMECSA-N 460.384 2.330 30 10 JEEE CC(C)(C)OC(=O)NC1[C@H]2CN(S(=O)(=O)Cc3ccc(B4OC(C)(C)C(C)(C)O4)cc3)C[C@H]12 2282500824 OCWKESZJDKSMGA-ROUUACIJSA-N 478.420 2.271 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 2282523900 FEXJAMOUHSTGIM-RUZDIDTESA-N 450.392 2.458 30 10 JEEE CC(C)(C)OC(=O)NCC1(CO)CCN(C(=O)c2occc2B2OC(C)(C)C(C)(C)O2)CC1 2282552608 RMLHFHVMEQXJSS-UHFFFAOYSA-N 464.368 2.318 30 10 JEEE Cc1oc(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 2282575047 XOAKTGBOEYDSAS-XIRDDKMYSA-N 464.368 2.281 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2O)c1 2282683561 FHWUHZQMGSVFHX-RBUKOAKNSA-N 460.380 2.394 30 10 JEEE CC(C)(C)OC(=O)NCc1nc(=NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2O)s[nH]1 2282989500 GGDCDHJWTQGVEZ-UHFFFAOYSA-N 476.364 2.242 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1CCc2cccc(B3OC(C)(C)C(C)(C)O3)c21 2283943678 CKWVBGVDBKERRH-SJLPKXTDSA-N 458.364 2.245 30 10 JEEE CCCn1c(N2CCOCC2)c(C=C2SC(=S)N(CCOC)C2=O)c(C)c(C#N)c1=O 2314462783 VQEZFNOMWFUQNP-UHFFFAOYSA-N 462.597 2.123 30 10 JEEE COc1cc2c(C=Nn3cnnc3SCC(=O)NCc3ccco3)c(C(=O)O)n(C)c2cc1OC 2321876611 SZYHAEGANMKNFV-UHFFFAOYSA-N 498.521 2.369 30 10 JEEE COc1ccc(Cc2nnc(SCC(N)=O)n2N=Cc2cccc(OC)c2OC)cc1OC 2326736278 KYXUPKPROOPHDG-UHFFFAOYSA-N 471.539 2.363 30 10 JEEE COc1ccc(C=NNc2nc3c(c(=O)n(Cc4ccc(C)cc4)c(=O)n3C)n2C)cc1OC 2328610855 QKHSZEYLACGVBU-UHFFFAOYSA-N 462.510 2.254 30 10 JEEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)Nc1cc(F)c(F)cc1B1OC(C)(C)C(C)(C)O1 2351772133 WJVQXDQBKDBCGP-BDJLRTHQSA-N 456.295 2.477 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCC3(CN(C(=O)OC(C)(C)C)C3)C2)n1C 2362332857 PTAIXGBSOIPTGE-UHFFFAOYSA-N 460.384 2.111 30 10 JEEE C[C@@H](NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C)C1CCN(C(=O)OC(C)(C)C)CC1 2362355075 XYXQGRPGSKJZPQ-OAHLLOKOSA-N 462.400 2.485 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@H]2C[C@H](NC(=O)c3cnsc3B3OC(C)(C)C(C)(C)O3)C[C@H]21 2369093100 RPRAITJJKNQGPR-FVQBIDKESA-N 479.408 2.339 30 10 JEEE CNC(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)[C@H]1C[C@H](B2OC(C)(C)C(C)(C)O2)C1 2369383070 ZSRDCJYUWPFZGK-ULQDDVLXSA-N 465.400 2.443 30 10 JEEE COc1cc(/C=N/NC(=S)NCCN2CCOCC2)cc(OC)c1OCc1ccccc1 16932663 BUGLQWWZVKDSDK-PCLIKHOPSA-N 458.584 2.413 30 10 JEEE CCOc1cc(/C=N/Nc2nnc(SCC(=O)Nc3ccc(OC)cc3OC)n2N)ccc1O 21326544 NCMUSWDNGJAEJX-FOKLQQMPSA-N 487.542 2.290 30 10 JEEE N#CCC(=O)NCc1ccccc1NC(=O)CN1C(=O)c2ccc(Br)cc2C1=O 219699128 NSXZQVASSYCLGU-UHFFFAOYSA-N 455.268 2.214 30 10 JEEE CCOC(=O)[C@@H]1CCCN(c2nc(O)c3c(n2)NC(=O)[C@@H](C#N)[C@@H]3c2ccc(O)c(OCC)c2)C1 256034274 ZGZBWFKUTLZENU-VKJFTORMSA-N 481.509 2.290 30 10 JEEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Br)ccc1Br 316164817 TXEMUAWXTQRGSH-NSHDSACASA-N 471.192 2.023 30 10 JEEE CC(C)(O)CC[C@H](O)[C@](C)(O)[C@@H]1CC[C@]2(O)C3=C/C(=N/O)[C@@H]4C[C@H](O)[C@H](O)C[C@]4(C)[C@@H]3CC[C@@]12C 504242625 CBQFTGKSOCYQEV-ZAFFIJGSSA-N 495.657 2.115 30 10 JEEE Cc1cccc(-n2c(=C(C#N)C(=O)NC3CCCC3)sc(=Cc3cnn4ccccc34)c2=O)c1 729668495 KJPJTEHZUIEYID-UHFFFAOYSA-N 469.570 2.417 30 10 JEEE C=CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC(=O)N(C)C[C@H]1C(=O)O 757526006 KKXNWDHCQLVVGX-VXKWHMMOSA-N 477.517 2.224 30 10 JEEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H]2C[C@H](O)[C@H](O)C2)c1 1155972874 JTUNEIVRZKCPTB-NJZPDEBBSA-N 450.944 2.335 30 10 JEEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1C[C@@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1286395193 LMEQNGXBEJTRHX-WOJBJXKFSA-N 459.616 2.051 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(C)(F)F)c1 1286465872 CCEDJAXVPMTZSN-QGZVFWFLSA-N 452.527 2.426 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCNC(=O)C1 1286554888 IUIDWWYYZBJWSX-HBFSDRIKSA-N 474.606 2.310 30 10 JEEE C=CCC(C)(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(OCC(N)=O)CC1 1286670747 MZBHDXBKEYEENG-UHFFFAOYSA-N 479.585 2.265 30 10 JEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2ccccc2F)C1 1286700993 UIXVOLINXIKHTP-VQTJNVASSA-N 479.578 2.294 30 10 JEEE C=CCCOCCn1c([C@@H]2CCCCO2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1286709899 HYUOHTDFZGFCSN-WWNPGLIZSA-N 474.650 2.491 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](c2ccnn2C)C1 1286791813 DHQLGXGLKSWFAC-IBGZPJMESA-N 460.542 2.148 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCC(Cn2cccn2)CC1 1286791954 IHMUWWKNBCEGIP-UHFFFAOYSA-N 453.522 2.412 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)nnc1[C@]1(OCC)CCOC1 1286793030 PKDBVFVJFIUMEY-CLOONOSVSA-N 485.560 2.471 30 10 JEEE C=CCSCCn1c(Cc2ccsc2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1286833641 JZNXHMQFRQUSAU-IBGZPJMESA-N 497.712 2.480 30 10 JEEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)CNS(=O)(=O)c1cccc(Br)c1 1297704011 ZABZYMBAJUYHJO-UHFFFAOYSA-N 457.346 2.418 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OCC)CCOC3)n2CCN2CCC[C@@H]2C)c1 1300330957 FGSKTSWSNMNQIY-RXFWQSSRSA-N 480.613 2.471 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OCC)CCOC3)n2Cc2nnc(C)s2)c1 1300331499 LUJQTRUODLCJRA-HSZRJFAPSA-N 481.582 2.195 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@H](CC(C)C)N(C)C)[C@H]1CCS(=O)(=O)C1 1300496893 VWSWKAFNYTXVBD-UFYCRDLUSA-N 451.637 2.123 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@H](c1ccsc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1300499432 RRZKEDRZZOQLCK-LEWJYISDSA-N 484.651 2.255 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCN/C(O)=C1/N=CC=CC1=O 1300560665 HLLCKSWGLDCBMB-BZZOAKBMSA-N 480.532 2.325 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@]1(O)CCO[C@@H]1C 1300578995 LLZZTWGWJCPWJS-NIYFSFCBSA-N 474.565 2.068 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCCN2C[C@H](C)C[C@@H](C)C2)CC1 1300710857 OBDNSUOGQVOPLS-LUKWVAJMSA-N 458.651 2.125 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OCC)n2C[C@@]2(O)CCSC2)CC1 1300731482 QHQLHENPSUTLSV-VWLOTQADSA-N 499.637 2.090 30 10 JEEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(S(C)(=O)=O)CC1 1300746505 SYUFHPLPRIUGMR-UHFFFAOYSA-N 464.613 2.342 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(C)CCCO1 1301363090 OHBDWDMVQQHTGV-RXVVDRJESA-N 481.644 2.434 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC(NC(=O)c2ccsc2)CC1 1301498330 MXUBDBMOQKMGJI-GOSISDBHSA-N 458.588 2.282 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)c2ccccc2)C1 1301556713 JAJQGEZLJYIIGO-TYPHKJRUSA-N 475.615 2.196 30 10 JEEE CC(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCOc2ncccc2F)CC1 1301850590 BVCHMYDXGMHMQP-UHFFFAOYSA-N 479.516 2.447 30 10 JEEE CCCOc1ncccc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](CNC(C)=O)C1 1313517559 GXSBUIGKCWLTJB-JOCHJYFZSA-N 475.553 2.390 30 10 JEEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(S(C)(=O)=O)CC1 1358906392 GUXQCAYWQNEPEK-UHFFFAOYSA-N 464.613 2.166 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(CN2CCCC2=O)cc1 1359024263 JMPSOKIPSGOIAY-JOCHJYFZSA-N 451.571 2.429 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccc3C)n2C[C@@H]2COCCO2)n1 1359027736 URPXUVOBXFPKPL-OAQYLSRUSA-N 450.543 2.152 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccc(OC)cc3)n2CC2=CCCOC2)CC1 1359047100 QVSXUJCDXUIMIN-UHFFFAOYSA-N 463.582 2.384 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2CC2([S@](C)=O)CCC2)CC1 1359047808 ULQDCBKHGPUTIX-UMSFTDKQSA-N 487.601 2.263 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1359102773 FQZPCHFAVXVGSU-XLIONFOSSA-N 498.550 2.277 30 10 JEEE C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1359119549 AVHXGXPWCWAYQJ-QGZVFWFLSA-N 454.575 2.328 30 10 JEEE C=CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccccc1S(=O)(=O)N(C)C 1359231871 HVYGWFQVCWIXHZ-JOCHJYFZSA-N 463.604 2.240 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N(C)CC(=O)Nc1cccc(C)c1C 1359332978 LMKGWTWQUVAIET-GOSISDBHSA-N 461.588 2.075 30 10 JEEE COc1cc(OC)cc(N2C[C@H](C(=O)N3CCN(c4cccc(F)c4C#N)CC3)CC2=O)c1 1463870284 DOPWFWGLXZCFDE-MRXNPFEDSA-N 452.486 2.416 30 10 JEEE C=C[C@@H](C)NC(=O)NCCNS(=O)(=O)c1cc(Br)ccc1Br 1468605107 CHFSHRSFXVBAPK-SECBINFHSA-N 455.172 2.364 30 10 JEEE C=C(C)C[C@H](CO)NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(Br)s1 1471536273 QUFNITKADZKVOQ-OLZOCXBDSA-N 451.408 2.497 30 10 JEEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(CC(C)(C)C)n1CC(C)(C)N1CCOCC1 1494135583 FNCNXMUYPOUJTB-IBGZPJMESA-N 481.649 2.354 30 10 JEEE CCN1CCN(C[C@@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N(CC)[C@H]2CCS(=O)(=O)C2)CC1 1502340405 FWYJIOIHZCJGEF-OFNKIYASSA-N 499.685 2.104 30 10 JEEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1507558954 VPZNGPGKOQMFOV-SFHVURJKSA-N 472.615 2.056 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1Cc1nccn1C(F)F)[C@H]1CCS(=O)(=O)C1 1507639885 MVFUPVABPABQBM-HNNXBMFYSA-N 494.499 2.263 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@H](C)c2ncc(C)s2)CC1 1507738335 NOGCDTCYFYMVJF-HNNXBMFYSA-N 450.572 2.270 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H]1CC(=O)N(CCOC)C1 1507763120 NOIFSGFTFMGSDV-AVRWGWEMSA-N 467.570 2.449 30 10 JEEE C=C(Br)Cn1c(-c2ccccc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1507780877 HSILGWJOBHBLAY-UHFFFAOYSA-N 473.375 2.125 30 10 JEEE C=C(C)COCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCc2nn(C)c(=O)cc2C1 1507839759 VEIVXOMLABFTBE-UHFFFAOYSA-N 466.542 2.211 30 10 JEEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@]2(CCSC2)C1 1507935718 UFRZOIKRZBSAMI-XLIONFOSSA-N 455.650 2.301 30 10 JEEE C=CCN(C)c1nnc(-c2cn(C)c3ccccc23)n1CCS(=O)(=O)N1CCSCC1 1507977863 YAQADZJVTMFKAA-UHFFFAOYSA-N 460.629 2.438 30 10 JEEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCCN(C(=O)c2ccc(Cl)cc2)CC1 1508094814 QERRSZIBYAHOHE-UHFFFAOYSA-N 460.966 2.123 30 10 JEEE C#CCNC(=O)C1CCN(C(=O)CCN2C(=O)/C(=C\c3ccc(F)cc3)SC2=S)CC1 1538195254 BDRNZGMQQYPFIP-NBVRZTHBSA-N 459.568 2.405 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CCCn1cc(Br)cn1 1538975967 GBKKGKLUWQRRES-KXBFYZLASA-N 451.369 2.437 30 10 JEEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCc1cnccn1 1539125016 KCCJMMUCIQFYGQ-LJQANCHMSA-N 455.563 2.469 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCc1cccc(C(=O)NC)c1 1539298731 AFHDEHPFFRAHCB-AREMUKBSSA-N 463.582 2.384 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@](C)(O)[C@H](C)CC 1539416857 TZCMTEIGMQOWRZ-YDIMBITNSA-N 479.622 2.470 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCOCC(F)(F)C(F)F)CC1 1539440933 DYYORZCGTRAJJX-UHFFFAOYSA-N 483.466 2.389 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCOc2cccc(C(F)(F)F)n2)CC1 1539462419 GVGPRMCRWNYBOB-PXNSSMCTSA-N 494.518 2.250 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCCNC(=O)OC(C)(C)C)CC1 1539481135 IGYQDWGXLGZFCF-LJQANCHMSA-N 474.606 2.053 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCSCC2)cc1 1539539427 UQIVDZPCFFFNES-FDDCHVKYSA-N 488.683 2.482 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCO1 1540179899 CVVZZWCPAYPUFM-RTWAWAEBSA-N 475.615 2.025 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1COCCO1 1540853045 JKCIUQCRLBMGDJ-FGTMMUONSA-N 451.568 2.103 30 10 JEEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1540858385 URLMPPRGOYMEKL-QZTJIDSGSA-N 462.595 2.466 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CC2(CN3CCOCC3)CCCCC2)C1 1540881179 AKNHSWBPJXIFEW-OAQYLSRUSA-N 474.650 2.480 30 10 JEEE CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)N2CCOCC2)CCN1CCOC 1546731759 HCEOTRBZKQZINP-HSZRJFAPSA-N 481.645 2.475 30 10 JEEE CNC(=O)[C@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CC12CCN(C(=O)c1cncn1C)CC2 1548378015 MKXYWFWWRKNDNH-GOSISDBHSA-N 474.487 2.415 30 10 JEEE CSC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1555830025 HZCXXJARTUFQJT-UHFFFAOYSA-N 454.604 2.135 30 10 JEEE CCn1cc([C@H]2C[S@@](=O)CCN2C(=O)COc2cccc(Br)c2C#N)cn1 1556441630 GGOHREHWCZOJPC-JWIGPWBQSA-N 451.346 2.248 30 10 JEEE C#CCN(CC(=O)N(C)[C@]1(c2ccccc2Cl)CCCCC1=O)[C@@H]1CCS(=O)(=O)C1 1559632922 RNQANYDREUNIAQ-VGSWGCGISA-N 450.988 2.259 30 10 JEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1587706463 PJLHIUWJJCHXGH-ZWKOTPCHSA-N 482.651 2.385 30 10 JEEE C#CCN(c1nnc(C(C)C)n1CCc1nccc(C(F)(F)F)n1)[C@H]1CCS(=O)(=O)C1 1588029299 FWELETOBKFMTML-AWEZNQCLSA-N 456.494 2.080 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ccc(OC(F)F)c(F)c1)[C@H]1CCS(=O)(=O)C1 1588049648 KJXBGIAXNQUAMV-HNNXBMFYSA-N 492.483 2.151 30 10 JEEE C#CCN(c1nnc(CC)n1C[C@@H]1C[C@H](F)CN1Cc1cccs1)[C@H]1CCS(=O)(=O)C1 1588059606 QVANPFCUTIKUBJ-BZSNNMDCSA-N 465.620 2.141 30 10 JEEE C#CCN(c1nnc(COCC)n1C[C@@H]1C[C@H](F)CN1Cc1cccs1)[C@H]1CCS(=O)(=O)C1 1588074521 NWVYESXDGTVKOH-FHWLQOOXSA-N 495.646 2.115 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(OCC)cc3)n2CC[C@H]2COCCO2)CC1 1588742758 USIGFJJYUATPDH-OFNKIYASSA-N 469.586 2.378 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(CC)CC)n1Cc1cccc(S(=O)(=O)NC)c1 1589135436 ZYIDQTJQMQKHOG-HSZRJFAPSA-N 472.615 2.145 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@](O)(c2cccc(F)c2)C1 1589394658 LSUCCCCDBDUANJ-HNAYVOBHSA-N 450.312 2.375 30 10 JEEE C=CCC(C)(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCS(=O)(=O)CC1 1594460643 ABCQBJMBQFWJDO-UHFFFAOYSA-N 481.644 2.033 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCOC[C@@H](C2CCC2)C1 1595577442 RZGSIAYQTFHGKC-FQEVSTJZSA-N 450.543 2.284 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2C[C@](C)(O)C(C)C)C1 1595713869 GPYWRUYVDAGZOB-VGSWGCGISA-N 462.620 2.427 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@@H](Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@@H](C#N)C2)C1 1597461993 HRKVNXHOCBRLGQ-MSOLQXFVSA-N 496.572 2.301 30 10 JEEE C[C@H]1C[C@H](CCn2c(-c3cccc(C#N)c3)nnc2N(C)CC(=O)N2CCOCC2)CCO1 1612679718 FRGSWDRWWMEKHW-RBUKOAKNSA-N 452.559 2.317 30 10 JEEE CCn1cc(Cn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N(C)C[C@@H](C)C#N)cn1 1615703535 BINFHLLNFKPYDA-INIZCTEOSA-N 456.576 2.056 30 10 JEEE CN(C[C@@H]1CCOC1)c1nnc(COc2ccc(C#N)cc2)n1CC1(S(C)(=O)=O)CCC1 1618135458 GFQRJBJBBOTURH-SFHVURJKSA-N 459.572 2.169 30 10 JEEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cc(Br)cc(C#N)c2)[C@H](C#N)C1 1621881533 CPRUBCISCDGFOF-CQSZACIVSA-N 455.334 2.454 30 10 JEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCCN3Cc3ccccc3)CC2)cc1 1625121014 BQQFAADIADMPES-QHCPKHFHSA-N 452.580 2.446 30 10 JEEE COc1cc(OC)cc(N2CC[C@@H](CNC(=O)N3CCN(c4cc(C#N)ccn4)CC3)C2)c1 1633163355 GHSWWHZEPCFCLO-IBGZPJMESA-N 450.543 2.329 30 10 JEEE C=CC1(CC(=O)NN2C(=O)N[C@@](C)(c3ccc(OC)cc3)C2=O)CN(C(=O)OC(C)(C)C)C1 1634859737 FIEPNUGYWYSJHD-QFIPXVFZSA-N 458.515 2.307 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@@](CO)(Cc3ccc(F)cc3)C2)s1 1638086051 JHVXBJMBIITKHT-OAQYLSRUSA-N 452.573 2.348 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1689851265 OCDDDQYSIFXXDM-ROUUACIJSA-N 494.662 2.132 30 10 JEEE C#CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1689929833 FUURBFPFSFQIPT-HXUWFJFHSA-N 489.642 2.433 30 10 JEEE C#CCN(C)c1nnc(Cc2ccccc2OC)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1689969272 QWKGBNGGOIIPRW-WOJBJXKFSA-N 457.600 2.151 30 10 JEEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1CCNC(=O)C(C)C)[C@H]1CCS(=O)(=O)C1 1689980922 ZMXDVZHAFAMICX-LEWJYISDSA-N 471.627 2.219 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1CCc1ccc(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1689992389 KHXXVYFTKXLFBS-LJQANCHMSA-N 460.600 2.363 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1COCCO1 1690092327 DLTLRFLGJWPWHK-LJQANCHMSA-N 469.542 2.464 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2CCC(=O)N2CCCCC2)CC1 1690113314 GJPDPVSHMIAKIA-UHFFFAOYSA-N 488.434 2.204 30 10 JEEE C=C(Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)N2CCCC2)CC1)c1ccccc1 1690321544 FKCMBLVOGYCLDR-UHFFFAOYSA-N 451.575 2.468 30 10 JEEE C=CCC(C)(C)Cn1c(-c2cccn2C)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1690426175 FCDXHIGGGQAQSW-UHFFFAOYSA-N 486.646 2.439 30 10 JEEE C=CC[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC2(CC1)CNC(=O)C2)c1ccccc1 1690441892 ILLRMFHDVRAMIQ-QUCCMNQESA-N 486.642 2.355 30 10 JEEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1690515214 ICPDPUVMCSVZNO-CVEARBPZSA-N 456.613 2.158 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCN(C(=O)NCC)CC1 1690663023 JTLOOEZLLMGQBE-UHFFFAOYSA-N 471.631 2.429 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1 1690667988 OXMAZWMZQABKAG-HKUYNNGSSA-N 467.574 2.478 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2c(C)cc(C)cc2C)C1 1690700327 QRMSRBZZZNHHJE-UNMCSNQZSA-N 489.642 2.366 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1690719713 RDNYGTZZFMAKSK-HXUWFJFHSA-N 465.963 2.230 30 10 JEEE CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2cccs2)CC1 1696591975 IFOXHIAISNHINA-UHFFFAOYSA-N 451.556 2.205 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccc(-c2nc[nH]n2)cc1)[C@@H]1CCS(=O)(=O)C1 1705559813 FXNQILSARYCYQI-GOSISDBHSA-N 453.572 2.036 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1CCCN1C[C@H](C)O[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1705571454 ZKWQYDZQGYTIEX-ZDXQCDESSA-N 499.681 2.189 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCN(C2CC2)C1 1705582810 KDBCKVGEJXHNPB-FPOVZHCZSA-N 468.602 2.144 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1Cc1cccc(NC(=O)[C@H]2CCCO2)c1 1705627239 AFEVWJOHDDXWQG-RBBKRZOGSA-N 467.570 2.424 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2CCOc2ccc(S(C)(=O)=O)cc2)CC1 1705643828 BJWGNCIUQNVGDN-GOSISDBHSA-N 487.626 2.240 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2Cc2ccc(NC(C)=O)nc2)CC1 1705650200 MXDOEWCHTGBCMZ-UHFFFAOYSA-N 477.594 2.298 30 10 JEEE C#CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1705660704 CWUAAIVFQJDEAA-FQEVSTJZSA-N 470.574 2.141 30 10 JEEE C#CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1705661833 JWAGGPNCXHPEES-APWZRJJASA-N 462.597 2.170 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)N1CCSCC1 1705670529 YDJLSKUKSDIBOT-JOCHJYFZSA-N 470.624 2.187 30 10 JEEE C=C(C)COCCn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1705733826 ZIHUTULRNNJQEB-UHFFFAOYSA-N 487.004 2.462 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1705898573 QCWQLVVNMMFEBB-HZPDHXFCSA-N 456.572 2.053 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1705931993 HKGBTKLSHJSWAJ-OAQYLSRUSA-N 464.551 2.390 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)c1ccccc1F 1705936800 YPQSJWVBHARFCY-HOTGVXAUSA-N 470.592 2.118 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H]1OCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1722359292 RORPZAZSKHAACG-DUXKGJEZSA-N 485.610 2.199 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCC=CO1)[C@H]1CCS(=O)(=O)C1 1722360516 UUVHVPYIVFZJMU-OALUTQOASA-N 457.512 2.173 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1cccc(C(C)(C)O)c1)[C@@H]1CCS(=O)(=O)C1 1722370562 ORJFVZPSHCBAPE-WOJBJXKFSA-N 458.584 2.032 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1722376606 VKHZDZDCUIJDPG-ROUUACIJSA-N 499.392 2.455 30 10 JEEE C#CCN1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CCN2CCCS2(=O)=O)CC1 1722442559 ZCCXNDYVWSZTJM-UHFFFAOYSA-N 495.074 2.015 30 10 JEEE C=C(C)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CC[C@](C)(C(=O)NC)C1 1722523727 LIMKVMNPGKYZJK-VWLOTQADSA-N 451.619 2.181 30 10 JEEE C=CCNC(=O)Cn1c(N2Cc3ccccc3O[C@H](C)C2)nnc1[C@]1(OC(C)C)CCOC1 1722704203 QFWFYGNHGAGNLF-KOSHJBKYSA-N 455.559 2.408 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2ccc(F)cc2F)CC1 1722867308 GCEDSOWYRGZIPO-DNVCBOLYSA-N 494.568 2.217 30 10 JEEE CNC(=O)C(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1729616233 COYAACPYDGGESG-UHFFFAOYSA-N 499.579 2.094 30 10 JEEE COCC[C@](C)(O)Cn1c(-c2ccccc2F)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1730629095 CLJQDSGULXXPDQ-DEOSSOPVSA-N 482.564 2.112 30 10 JEEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1740584650 OYQIXLXJNCRSMD-UHFFFAOYSA-N 487.490 2.229 30 10 JEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc2c(c1)OCO2 1740610895 OGXXODHNCDNFHF-QGZVFWFLSA-N 455.515 2.433 30 10 JEEE C#CCN(c1nnc([C@@H](C)CC)n1CCC(=O)NCc1ccccc1)[C@H]1CCS(=O)(=O)C1 1740617797 XOUHESFDOHYSJS-ICSRJNTNSA-N 457.600 2.125 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCNC(=O)c1cc[nH]n1 1740643243 DFUHMFMLBHZCPI-UHFFFAOYSA-N 459.554 2.381 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1([S@@](C)=O)CCC1 1740668946 GETMFUZKUMTLLU-JGCGQSQUSA-N 452.584 2.436 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCCCO2)n1CCCn1cc(CO)nn1 1740676380 BBIUQSCIAAWVGH-NRFANRHFSA-N 453.522 2.473 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](N(C)Cc2ccccc2)C1 1740794739 HFCXXZGVKBSUJH-FCHUYYIVSA-N 473.643 2.484 30 10 JEEE C=C(Cl)Cn1c([C@H](C)OCCOC)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1740803793 NNUKAASLRHVNOC-GGPKGHCWSA-N 483.057 2.381 30 10 JEEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C)C2(CCC2)C1 1740887456 IAQKIBCLFLIEDF-RTBURBONSA-N 467.636 2.220 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H]3CCCOC3)nnc2N2CCN(CCOC)C(=O)C2)cc1 1740967685 NNTKLYVCCJUOTL-HXUWFJFHSA-N 455.559 2.080 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CCS(=O)(=O)Cc1ccccc1 1748684062 BVELZBSTOKUFJI-QGZVFWFLSA-N 471.608 2.343 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@](C)(O)c1cc(C)oc1C)[C@H]1CCS(=O)(=O)C1 1748811073 BBKHCSNUPRHAJO-WMZHIEFXSA-N 469.567 2.084 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1ccc(OC)c(OCC)c1)[C@@H]1CCS(=O)(=O)C1 1748819597 PKELXYXQPQCJAO-OAQYLSRUSA-N 495.605 2.346 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cc(C)on1 1748892127 JCSNPEAIAFJWOF-IBGZPJMESA-N 454.531 2.394 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cccnc2OC)CC1 1749010840 QSWSIIMVRFSZOC-UHFFFAOYSA-N 455.522 2.234 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC)n2Cc2ccc(OCCN3CCCC3)cc2)CC1 1749014146 FNDFHVJWXPIQGY-UHFFFAOYSA-N 464.614 2.329 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc2c1OCCCO2 1749053330 GSTYCWUEAQYGQE-KSFYIVLOSA-N 459.572 2.090 30 10 JEEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 1749210864 PMFFPQPEALOILZ-QGZVFWFLSA-N 450.584 2.360 30 10 JEEE C=C(Cl)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(CC(=O)NC(C)C)CC1 1749260916 GHGCXQFUUSNGHJ-UHFFFAOYSA-N 460.966 2.115 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](C[C@@H]2CCOC2)C1 1749655484 MHMKNURTOAPKFL-MOPGFXCFSA-N 487.626 2.294 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1 1749663696 NKJZAELIWDBXAN-UHFFFAOYSA-N 465.945 2.258 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC(CC(=O)N(C)C)CC1 1749680861 TYVOMLXSNKRNCB-UHFFFAOYSA-N 468.602 2.471 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1749738541 PCZNTQIEJCXJRF-GOSISDBHSA-N 463.629 2.122 30 10 JEEE COCCN(CCC#N)c1nnc(C(=O)Nc2ccccn2)n1CC1CN(C(=O)OC(C)(C)C)C1 1749821752 HGGYDFSRSJMRND-UHFFFAOYSA-N 484.561 2.159 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1[C@H]1C[C@H](c2ccc(F)cc2)C1 1750075755 HMLCJNYYQNCLTO-UHMOLFJZSA-N 476.578 2.465 30 10 JEEE CS[C@@H](C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2oc(C3CC3)nc2C#N)CC1 1750229886 FLCYQHMRURLMOJ-AWEZNQCLSA-N 458.592 2.231 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C(CC)CC)no1 1760117123 MSALUSBIEFSOTR-BEFAXECRSA-N 464.592 2.009 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2CC2(O)CCC2)c1 1760125807 MCHIEAHVVWVLDS-RUZDIDTESA-N 467.570 2.290 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2C[C@H]2CCOC[C@@H]2OC)c1 1760128167 AJUQOBWIPRJMMD-SJBKTWHCSA-N 467.570 2.280 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCOC(C)C)[C@@H]1CCS(=O)(=O)C1 1760183587 SCAMSFNFINDNDK-HXUWFJFHSA-N 473.599 2.199 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCOC)[C@H]1CCS(=O)(=O)C1 1760192048 DCRJSWDKMXFYLP-ROUUACIJSA-N 481.619 2.013 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCc1ncc(CC)s1)[C@@H]1CCS(=O)(=O)C1 1760192841 YFYSFYINLZWFSV-GOSISDBHSA-N 487.655 2.028 30 10 JEEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1Cc1ccccc1CN1CCC[C@H]1CO 1760206663 HYPFZKOGNXIGDK-VWLOTQADSA-N 471.609 2.218 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H]1CCc2ccccc21 1760235432 MNVZMUAOAFFKQO-FPOVZHCZSA-N 457.600 2.191 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@]1(O)CCCC1(C)C 1760245291 YKIFXZPNMJTPDI-QHCPKHFHSA-N 460.600 2.376 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2Cc2nccc(C(F)F)n2)CC1 1760256079 LBLKRAKEWVOWTQ-UHFFFAOYSA-N 469.496 2.493 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](c2ccccc2)N(CC)CC)CC1 1760259803 QFPKFMXVKLCHLD-DHIUTWEWSA-N 484.670 2.019 30 10 JEEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC=C(C(C)(C)C)CC1 1760357500 JYKZNPLUFYTCHG-IBGZPJMESA-N 467.636 2.386 30 10 JEEE C=C1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCN2CCOC[C@@H]2C)CC1 1760389779 UAIYKRXFFNBZEC-PMACEKPBSA-N 476.622 2.464 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(NC(C)=O)cc2)CC1 1760401846 DMFSYHRMWBNUIB-OAQYLSRUSA-N 488.614 2.020 30 10 JEEE C=CC[C@@H](Cn1c(-c2cnccn2)nnc1N1CCN(S(C)(=O)=O)CC1)c1ccccc1 1760418629 VUKYPSATKTVTKC-IBGZPJMESA-N 453.572 2.177 30 10 JEEE Cc1nn(C)c(N2CCN(c3nnc(C)n3CCC3CCN(CC(F)(F)F)CC3)CC2)c1C#N 1762399748 AQVIBAPAYDBVTG-UHFFFAOYSA-N 479.555 2.491 30 10 JEEE Cc1cc(C)n(Cc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H]2CCN(CC(F)(F)F)C2)n1 1762439875 BOKNEYZIKKQBJW-LPHOPBHVSA-N 454.476 2.466 30 10 JEEE N#Cc1cccc(OC2CCN(c3nnc(-c4cnccn4)n3CC(=O)NCC(F)F)CC2)c1 1771531753 BHENXWOMMYGTGW-UHFFFAOYSA-N 468.468 2.036 30 10 JEEE COc1cccc(-n2cc(/C=N\NC(N)=S)c(-c3ccc4c(c3)N(C)C(=O)[C@@H](C)O4)n2)c1 1857806524 CAKSXDORCYVABM-PMZVSURPSA-N 450.524 2.459 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)CN3CCN(S(=O)(=O)c4ccc(OCC)cc4)CC3)cc21 1858632795 FJRWLNGFISIXLI-UHFFFAOYSA-N 499.589 2.186 30 10 JEEE C#CCOC(=O)NS(=O)(=O)c1ccc(CNC(=O)CCc2ccc(OC)c(OC)c2)cc1 1858963352 HTMXKILZZIHYIW-UHFFFAOYSA-N 460.508 2.001 30 10 JEEE CCCCN(CCO)C(=O)[C@@H](Cc1c[nH]c2ccccc12)N=C1NS(=O)(=O)c2ccccc21 1869928417 WRWUGUPMLJIHOE-OAQYLSRUSA-N 468.579 2.439 30 10 JEEE C=CCn1cc(OCC(=O)Nc2sc(C(=O)OC)c(C)c2C(=O)OC)c(=O)cc1CN(C)C 1870325262 RERAXTARSSLOSB-UHFFFAOYSA-N 477.539 2.057 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)Nc2ccccc2OC)cn1CCOCCO 1870745938 CUUCMWUJTFJOOK-UHFFFAOYSA-N 471.554 2.057 30 10 JEEE COC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)(C)C)C2)n1/N=C/c1ccccc1C(=O)O 1874277989 IEFOQYFPQMWCCW-KHAGQWAKSA-N 459.528 2.238 30 10 JEEE CCOc1cc(/C=N/n2c(SCC(=O)OC)nnc2[C@@H]2CC(=O)N(C(C)C)C2)ccc1O 1874338066 RTLHJVTULQTTPJ-WPZNHYQYSA-N 461.544 2.254 30 10 JEEE C=CCOc1ccccc1OCc1nnc2sc(CCCNC(=O)c3cnccn3)nn12 1874803932 LTPGMFZWVOHLED-UHFFFAOYSA-N 451.512 2.482 30 10 JEEE N#Cc1ncccc1OC1CN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Cl)s3)C2)C1 1891923234 OZXDTFNGCSNWOX-CYBMUJFWSA-N 466.972 2.359 30 10 JEEE CC(C)(C)OC(=O)NCCN(CCNC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(N)cc1C#N 2106723217 YDDNQUXLIZHFSY-UHFFFAOYSA-N 483.591 2.181 30 10 JEEE CC(C)(C)OC(=O)N1Cc2nncn2C[C@H]1C(=O)N1CCC(B2OC(C)(C)C(C)(C)O2)CC1 2239525564 NONHFQFMEOOWIX-INIZCTEOSA-N 461.372 2.482 30 10 JEEE CN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1)[C@H]1CC[C@H]1NC(=O)OCc1ccccc1 2255613625 DGMOTAAOUNLIGK-MJGOQNOKSA-N 468.363 2.249 30 10 JEEE CN(Cc1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(=O)[C@H](CO)CNC(=O)OC(C)(C)C 2256678862 RFCFNRQXDOAWJK-AWEZNQCLSA-N 454.398 2.139 30 10 JEEE 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)cs1 2267130755 RRZRVRJLMDAMSO-ORQFMDKSSA-N 464.393 2.458 30 10 JEEE CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)C(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2267167070 ATRNLIYUKQMKBV-QHCPKHFHSA-N 457.405 2.151 30 10 JEEE C[C@@H]1CN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)CC[C@H]1NC(=O)C(F)(F)F 2267366377 FODAAKCARFPNKO-DGCLKSJQSA-N 482.355 2.125 30 10 JEEE CC(C)(C)OC(=O)N=S1(=O)CC2(CN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)c[nH]3)C2)C1 2267561077 LFGSFIAIKVYYGL-UHFFFAOYSA-N 465.381 2.173 30 10 JEEE CC(C)(C)OC(=O)N1CC=C[C@@H](NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2267712581 GHHOSCGRHUSHDR-QGZVFWFLSA-N 464.393 2.440 30 10 JEEE CO[C@H](C)[C@@H](CC(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1)NC(=O)OC(C)(C)C 2268638064 QVVQUHWTQOASSF-UKRRQHHQSA-N 469.413 2.377 30 10 JEEE CC1(C)OB(c2ccc(C(=O)NC[C@H]3CNCCN3Cc3ccccc3)cc2F)OC1(C)C 2281780709 ZFUFNBLVWGKIFJ-HXUWFJFHSA-N 453.367 2.329 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(F)c2B2OC(C)(C)C(C)(C)O2)[C@@H](CO)C1 2281786521 GHBHAUTYVXXSCS-OAHLLOKOSA-N 464.343 2.179 30 10 JEEE C[C@H]1CN(Cc2ccccc2)C[C@]1(C)CNC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2281949792 NPLUFFNEAJUOIQ-XDHUDOTRSA-N 453.396 2.002 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC12CC2 2281963976 RMYZSYOPWGZLAN-MRXNPFEDSA-N 460.384 2.332 30 10 JEEE CCc1nn(C)c(C(=O)N2CCCN(C(=O)OC(C)(C)C)CC2)c1B1OC(C)(C)C(C)(C)O1 2281985197 KCJSYXDFDNABCH-UHFFFAOYSA-N 462.400 2.365 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CC[C@@H](NC(=O)C(F)(F)F)C[C@H]1C 2282110008 LVGWYYVSNAHYTA-UKRRQHHQSA-N 457.302 2.479 30 10 JEEE Cc1nc(S(=O)(=O)N2CCC[C@H](OCc3ccccc3)C2)c(B2OC(C)(C)C(C)(C)O2)n1C 2282507158 CNPYEQBARUBSTQ-IBGZPJMESA-N 475.420 2.398 30 10 JEEE CC(C)(C)OC(=O)N[C@@]12CC[C@@](CNC(=O)c3nscc3B3OC(C)(C)C(C)(C)O3)(C1)OC2 2282522869 QHVFMMTXWJDSDN-VXKWHMMOSA-N 479.408 2.389 30 10 JEEE CCn1cc(C(=O)N2C[C@@H]3[C@H](CCN3C(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2282530517 VRCRXZXEKUDLCA-NVXWUHKLSA-N 460.384 2.284 30 10 JEEE Cn1cc(C(=O)N[C@@H]2C[C@H](CNC(=O)OC(C)(C)C)C2(C)C)nc1B1OC(C)(C)C(C)(C)O1 2282554131 YTSMADUWUMFDDZ-GDBMZVCRSA-N 462.400 2.389 30 10 JEEE CCc1nn(C)c(C(=O)N2C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2282561732 UJKFBYKJWBPSSF-ZBFHGGJFSA-N 462.400 2.267 30 10 JEEE Cc1nn(C)c(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H]3CC[C@H]32)c1B1OC(C)(C)C(C)(C)O1 2282585618 NRGSVLLQVUKAME-HZPDHXFCSA-N 460.384 2.252 30 10 JEEE CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1csc(B2OC(C)(C)C(C)(C)O2)c1 2283955209 CYKKXZLJZKETJY-MRXNPFEDSA-N 482.408 2.462 30 10 JEEE CC(C)(C)OC(=O)N1CC(O)(C(F)(F)C(=O)NCc2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2283986818 HMBCXBXBSITLSV-UHFFFAOYSA-N 488.362 2.281 30 10 JEEE Cc1ccc(CNC(=O)[C@H]2C[C@H](O)CN2C(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2296175492 AABXUCBLQSMVOT-PKOBYXMFSA-N 460.380 2.281 30 10 JEEE O=C1C[C@H](c2nnc(SCCO)n2N=Cc2ccc(O)c(O)c2)CN1Cc1ccccc1 2325924819 MSMURHHVNZIYBT-KRWDZBQOSA-N 453.524 2.172 30 10 JEEE CC(C)(C)OC(=O)N=S1(=O)CC2(CN(C(=O)c3cnsc3B3OC(C)(C)C(C)(C)O3)C2)C1 2337402905 GSEUHJAFYQMPLL-UHFFFAOYSA-N 483.421 2.301 30 10 JEEE CC(C)(C)OC(=O)N1CC(C(=O)N2CCC[C@H](B3OC(C)(C)C(C)(C)O3)C2)(S(C)(=O)=O)C1 2351684725 BPEGAKNJZGYKOD-HNNXBMFYSA-N 472.413 2.105 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)Nc3cc(C)nn3-c3nc(C)cc(C)n3)cc2C1=O 9701611 ZLKPTYDOWSXGTM-UHFFFAOYSA-N 474.477 2.165 30 10 JEEE COc1ccc(-c2nnc3ccc(OCCNC(=O)COc4ccc(C#N)cc4)nn23)c(OC)c1 13706714 MAKOIRPYIKKYCP-UHFFFAOYSA-N 474.477 2.254 30 10 JEEE C=C[C@]1(C)CC(=O)[C@@]2(O)[C@]3(C)[C@@H](O)CCC(C)(C)[C@H]3[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@]2(C)O1 257797264 ZSBZMJGJWOYRBW-SYZSNZFLSA-N 452.544 2.091 30 10 JEEE biogenic COc1ccc(-n2c(=C(C#N)C(=O)Nc3ccccc3)sc(=Cc3cnn4ccccc34)c2=O)cn1 729672188 BERJVRFOKOAZMT-UHFFFAOYSA-N 494.536 2.092 30 10 JEEE C=CCn1c(S)nc2cc(C(=O)Nc3cnn(CC(=O)NC4CCCC4)c3)ccc2c1=O 747219167 XBSGBKOFAHFOLT-UHFFFAOYSA-N 452.540 2.379 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1C(F)(F)F 1286297991 ZNICLTVRVIQHMM-WMLDXEAASA-N 471.505 2.136 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2C[C@H]2NC(=O)CC2(C)C)c1 1286310051 AVINRTSOWFYFQJ-AZUAARDMSA-N 464.570 2.143 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CNC(=O)c3cccs3)n2C[C@](C)(O)CC)c1 1286311006 BZWISBVEAYGVKB-XMMPIXPASA-N 480.594 2.487 30 10 JEEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1cc(OC)c(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1286383620 DMEZAJBNEUKVJT-FUHWJXTLSA-N 476.599 2.492 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(Br)c2)n1CC(=O)NCC(F)F 1286402870 DSCVKVOSCISEEB-UHFFFAOYSA-N 466.286 2.170 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCCCO1 1286420319 CTNHPSHEIATLOY-HXUWFJFHSA-N 455.584 2.227 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C(F)(F)F)cc1 1286431183 MLJMRVAQNKPGSE-LJQANCHMSA-N 495.527 2.141 30 10 JEEE C=C(Br)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@H](OCCOC)C1 1286535895 UCMWGTQSDCNVGL-SFHVURJKSA-N 489.378 2.461 30 10 JEEE C=CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(NC(C)=O)nc1 1286768325 YZGVYEDLYDFROQ-UHFFFAOYSA-N 453.503 2.046 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1286778762 AQHJSHKQFBRSKQ-QZTJIDSGSA-N 476.375 2.394 30 10 JEEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)CC1CC(F)(F)C1 1286780769 QGRMCQLLJNMEGT-UHFFFAOYSA-N 481.573 2.330 30 10 JEEE C=CCNC(=O)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCO[C@H](C(C)(C)C)C1 1286790956 QSDYJFXMUSQNEF-QHCPKHFHSA-N 495.672 2.196 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)C(C)C)CC1 1286795024 DKCGMUZXSCRMPQ-IBGZPJMESA-N 452.559 2.147 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2nccc(C(F)(F)F)n2)C1 1286810566 SVDHSLIZLRATIR-CABCVRRESA-N 486.520 2.013 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@@H](C)[C@@H](O)C1 1286818118 UHGUVXDFCGSCSM-RYRKJORJSA-N 452.552 2.365 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CC[C@H](C)[C@H](OC)C1 1286824261 XULHYQAQJGJOQS-QFBILLFUSA-N 452.552 2.458 30 10 JEEE C[C@@](O)(Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C(N)=O)C1)c1cccs1 1288904380 GVIUJNWTUALYIH-KSFYIVLOSA-N 452.540 2.010 30 10 JEEE CCN1CCN(C[C@@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(C(=O)NC)CC2)CC1 1296182914 AWQQQGWYQADXLK-HXUWFJFHSA-N 478.645 2.053 30 10 JEEE C=CCN1CC[C@H](N(C)C(=O)c2cc(S(=O)(=O)Nc3ccc(OC)cc3)ccc2O)C1=O 1297060975 CKSQAOBCBLXHIT-IBGZPJMESA-N 459.524 2.061 30 10 JEEE Cn1cc(CN(Cc2ccc(Cl)cc2)C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cn1 1297257602 FTZQDUURAPGAFI-UHFFFAOYSA-N 457.943 2.341 30 10 JEEE CN(C)c1ccc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)cn1 1298060229 FJIWZDHWVQBYBV-OAQYLSRUSA-N 495.609 2.251 30 10 JEEE CO[C@@]1(C)CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCN(C(C)=O)CC2)CC1 1299771622 ANBXEALKXBYVOT-SANMLTNESA-N 495.628 2.288 30 10 JEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](OCc2cccc(OC)c2)C1 1300409341 HTGSBLFFQLNEKP-PZJWPPBQSA-N 458.584 2.398 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1cnn(CC(C)C)c1C)[C@@H]1CCS(=O)(=O)C1 1300487669 KZAIEYPKXWWGDO-HXUWFJFHSA-N 467.599 2.176 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCCN1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1300495864 KDIPGURJGRTWHT-NHCUHLMSSA-N 463.648 2.268 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C)CN1CCN(CC)CC1 1300648269 MNLVAGNJVUBWOT-OFNKIYASSA-N 481.620 2.282 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2Cc2cnn(C)c2C)CC1 1300712465 TWHACTXLJPEFIE-UHFFFAOYSA-N 488.596 2.203 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCCSC2)CC1 1300730967 IRRSGJXPLDBGDM-KRWDZBQOSA-N 486.667 2.379 30 10 JEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2ccc(OC)c(F)c2)CC1 1300731461 FXBSQJCKGLLFLI-UHFFFAOYSA-N 486.617 2.350 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 1300763737 ROMYKXZDFMZGJX-DLBZAZTESA-N 483.660 2.040 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCc1cnn(C)n1 1300805945 LTTRUSHJYWIGKV-NTKDMRAZSA-N 484.605 2.340 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1c[nH]c2c(C)cccc12 1301296473 HMDWNDSGWBPPDM-IBGZPJMESA-N 458.588 2.266 30 10 JEEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(N(C)C)CCCC2)CCO1 1301404138 CTJYSDJBRPEQSQ-NRFANRHFSA-N 454.575 2.455 30 10 JEEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1301482429 WHZFSICNBOBLSU-MOPGFXCFSA-N 451.531 2.392 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCc2ccc(OC)cc2)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1301585861 GCZTWGUSFCBQOE-CTNGQTDRSA-N 473.643 2.346 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N(CC)C[C@H]1CCCO1 1301588577 HPLQIHLXKDHAHJ-YLJYHZDGSA-N 462.572 2.397 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@@H](OC)C1 1301589345 QVAZJUPPVIDSMX-GOSISDBHSA-N 483.635 2.219 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCCC(F)(F)F 1303404962 GCOXXTUUJNLMQK-CQSZACIVSA-N 465.484 2.136 30 10 JEEE CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C[C@@H](C)O1 1306409038 HAQKMWCYPGOTKE-YVWKXTFCSA-N 458.588 2.102 30 10 JEEE COc1cc(Cn2c(C(=O)N3CCCC3)nnc2N2CCC[C@@](C)(C#N)C2)ccc1OCCO 1315310516 BQXJWTHAOOQGGK-DEOSSOPVSA-N 468.558 2.072 30 10 JEEE COCCN(C)CCCn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1316065005 FOXHFTPQVNESNR-JOCHJYFZSA-N 464.574 2.096 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC1(N(C)C)CCOCC1 1358976559 INVXINWASNOHPQ-UHFFFAOYSA-N 487.608 2.249 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1Cc1cccc(N2CCOCC2)n1 1359020807 QPEBDHSPPQLJOM-UHFFFAOYSA-N 457.538 2.183 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN1CCC[C@@H](C)C1 1359023479 LWPUVCROOUONOR-LJQANCHMSA-N 463.586 2.010 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc(Cl)cc3)n2Cc2nncn2C)n1 1359027795 WKEDPRHQWXRNLQ-UHFFFAOYSA-N 465.949 2.258 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2CCC(=O)NC(C)(C)C)CC1 1359031212 UMIRHUFIGCKDEL-UHFFFAOYSA-N 476.423 2.106 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(OC)nc2OC)CC1 1359042112 RZEMZAYTULGRJW-UHFFFAOYSA-N 485.548 2.243 30 10 JEEE C=C(C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1359119267 GOTHHDZATHDFDU-UHFFFAOYSA-N 462.345 2.163 30 10 JEEE C=CCN(c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCOC[C@H]1OC)C1CC1 1359247998 XBKRELUFUFFKLU-GHTZIAJQSA-N 475.615 2.402 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CCC(CC(=O)NC)CC1 1359294958 KMCMLJKUYXZFBC-UHFFFAOYSA-N 481.420 2.424 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 1359297541 TZFXCSOHOCSYAA-RBBKRZOGSA-N 493.656 2.373 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCN(CC(F)(F)F)CC1 1359298007 JQRNYYWOMRRFKD-UHFFFAOYSA-N 474.491 2.117 30 10 JEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCO[C@H](Cc2ccccc2)C1 1359302277 BDPYIXJLPAVHOF-HXUWFJFHSA-N 452.584 2.384 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1359302471 INFHKVDPRDFGMC-MJGOQNOKSA-N 494.600 2.168 30 10 JEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](c2ccsc2)O[C@H](C)C1 1359303914 FPKGCLIFHDKHAT-IEBWSBKVSA-N 455.588 2.470 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCCN(CC)C(=O)C1 1359328411 CLYDDIXDNFRGLG-UHFFFAOYSA-N 451.980 2.258 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC(CO)CC1 1359336311 LOZZIGHWCPAERB-SFHVURJKSA-N 483.635 2.160 30 10 JEEE C[C@H](C#N)CN(C)c1nnc(Cc2ccncc2)n1CC(=O)N1CCN(c2ccccc2)CC1 1359475197 FNXYBZVHNOMVSN-HXUWFJFHSA-N 458.570 2.209 30 10 JEEE COc1cc(OC)cc(N2CC[C@H](NC(=O)C3CCN(c4oc(C)nc4C#N)CC3)C2=O)c1 1457472894 BIEDUIKXHZUBDV-IBGZPJMESA-N 453.499 2.010 30 10 JEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1nc(C)c(C(=O)OC)s1 1457563755 AHNBIWWNBYEATJ-ZDUSSCGKSA-N 450.542 2.474 30 10 JEEE CC[C@@H](c1ccccc1)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCN1CCN(C(C)=O)CC1 1496405488 ABOBLIGPAZVOQX-XUZZJYLKSA-N 453.566 2.426 30 10 JEEE COCC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCCC(C)(C)C2)CC1 1504536666 GNJGBJAYCIKARR-UHFFFAOYSA-N 495.628 2.146 30 10 JEEE N#C[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2Cc2cc(Br)cs2)CCO1 1505321142 IAMFSBSSCPCEFX-ZDUSSCGKSA-N 451.350 2.115 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H](c1ccco1)N(C)C)[C@H]1CCS(=O)(=O)C1 1507632632 OOTCRTLPALOEHX-BJLQDIEVSA-N 461.588 2.042 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1507644996 SXGMOAQALXVHIB-FQEVSTJZSA-N 493.589 2.471 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1507659916 ILUOIQHRVXQPJU-VGSWGCGISA-N 476.986 2.084 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCn1cc([C@H]2CCOC2)cn1 1507662237 GSHFQGHXSIPHPW-NRFANRHFSA-N 492.605 2.212 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccc(C(F)F)c2)CC1 1507738439 PAMNVDVCSCJPAS-SFHVURJKSA-N 456.497 2.181 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCCO2)nnc1N1CCC(C(=O)NCCOC)CC1 1507798062 MZFFAJAGTBALTR-HBMCJLEFSA-N 461.607 2.480 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)C1CC1 1507998446 GPRFBPSFHIAGRX-CVDCTZTESA-N 455.584 2.405 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCc2nn(C)c(=O)cc2C1 1508076198 ZZTBEUOTQIMUBO-UHFFFAOYSA-N 474.352 2.211 30 10 JEEE C=CCNC(=O)Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CC[C@]2(CCC(=O)N2)C1 1508093570 CKVRQTVVUPEBKQ-XMMPIXPASA-N 487.004 2.413 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCN2CC=CCC2)C1 1508116647 KJMXVHFTOHSJFC-HXUWFJFHSA-N 457.600 2.392 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCS(=O)(=O)CC=C)C1 1508117630 VEVCCDPJNDPNSY-HNNXBMFYSA-N 470.393 2.418 30 10 JEEE CC(=O)N(C)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCSCC2)CC1 1508180512 DQMOWHGOXFPYCE-UHFFFAOYSA-N 483.642 2.225 30 10 JEEE C#CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCCN(S(C)(=O)=O)CC1 1539085526 MNRSYJDNLYMCLX-RTBURBONSA-N 451.637 2.472 30 10 JEEE C#CCCCn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1539127677 MEAMLXNJTZAEHM-SZPZYZBQSA-N 463.630 2.304 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1ccc(OCCOC)cc1)[C@H]1CCS(=O)(=O)C1 1539210672 FRMITKMQIVJIND-FQEVSTJZSA-N 481.578 2.040 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCNC(=O)[C@H](C)CCC)[C@H]1CCS(=O)(=O)C1 1539211068 FVKRYVXPAXEHGB-AEFFLSMTSA-N 461.588 2.026 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1C[C@@H](C)N(C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1539225592 PIFTZOHYRUZBHK-KNQAVFIVSA-N 455.628 2.378 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1(O)CCOCC1 1539337222 FADLXJDRWAOZHK-KDURUIRLSA-N 457.575 2.053 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cn4ccccc4n3)n2CCCOC(F)F)CC1 1539484186 GIXWRPIEPMBURL-UHFFFAOYSA-N 471.512 2.112 30 10 JEEE C#CCSCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(C(=O)NC)CC1 1539514563 SUBAZUUFTLNVPY-SFHVURJKSA-N 491.662 2.220 30 10 JEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2nc(C)cs2)CC1 1539967167 OPPSNYHQJXALNN-SFHVURJKSA-N 495.675 2.059 30 10 JEEE C=CCCOCCn1c(Cc2ccccc2C)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1540038210 XNTGODRBBZMENF-UHFFFAOYSA-N 452.559 2.291 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)c2c(F)cccc2Cl)CC1 1540868384 CMVKHARNXHVSCW-UHFFFAOYSA-N 471.924 2.330 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H](C)CN2CCOCC2)C1 1540885573 LQLXSTDEWRMSRK-TZIWHRDSSA-N 489.642 2.098 30 10 JEEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1540908362 UKHTVJFOOIAIAD-UHFFFAOYSA-N 460.652 2.008 30 10 JEEE CC#CCS(=O)(=O)c1cccc(C(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)c1 1542432006 OIOBVQVEAMASNC-UHFFFAOYSA-N 455.580 2.044 30 10 JEEE CCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1546838763 BQWQEZPFOIGPSQ-AVRDEDQJSA-N 460.604 2.133 30 10 JEEE N#Cc1ccc(N2CCC3(CC2)C[C@H](C(N)=O)N(C(=O)c2cnccn2)C3)cc1C(F)(F)F 1548380296 VDOSLCADAIWPAU-GOSISDBHSA-N 458.444 2.354 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H](C)N1CCN(CC)CC1 1588200047 ARQPSSVLDHGFMH-NRFANRHFSA-N 464.614 2.451 30 10 JEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCN(c2ccccc2OC)C1 1588245696 OATZDTARBQSWJY-OAQYLSRUSA-N 460.582 2.399 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(N(C)C)cc2C)CC1 1588969172 WFLAHZAISIRKEI-UPVQGACJSA-N 494.640 2.391 30 10 JEEE C#CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCNC(=O)C(C)C 1589068725 DFXOVLYGKYPFLB-SFHVURJKSA-N 494.662 2.161 30 10 JEEE C=C(Br)Cn1c(-c2noc3c2COCC3)nnc1N1CCC[C@H](CC(N)=O)C1 1589383726 ZSEJIQOYUXPGPG-GFCCVEGCSA-N 451.325 2.006 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1589482774 LGVATVLSPWWRCG-IAGOWNOFSA-N 486.539 2.292 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)c1c(C)noc1C 1589664266 WRKWBVVFBJDHRX-YJBOKZPZSA-N 466.608 2.422 30 10 JEEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H]2CCCCCC[C@H]21 1594813642 VKGKMUMQVHYPSH-ZCNNSNEGSA-N 467.636 2.363 30 10 JEEE C=CCCOCCn1c(COc2ccc(Br)cc2)nnc1N1CCNC(=O)C1 1594824794 QDCOVGGBCRDTHU-UHFFFAOYSA-N 450.337 2.149 30 10 JEEE C=CCN(C)c1nnc(COc2cccc(C)c2)n1CCS(=O)(=O)N1CCSCC1 1594997871 RFOMSAWGVSDVKS-UHFFFAOYSA-N 451.618 2.166 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1595497192 SNWOGQUAVVWUBL-DOTOQJQBSA-N 473.375 2.067 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2nc3c(s2)C[C@@H](C)CC3)C1 1595673938 LRWXFEOHVFRFSQ-ARFHVFGLSA-N 480.660 2.299 30 10 JEEE C#CCN1CCC[C@H](NC(=O)c2ccc(CNS(=O)(=O)c3ccc(C(C)=O)cc3)cc2)C1 1595791060 WJTOZFATNFWHNJ-QFIPXVFZSA-N 453.564 2.195 30 10 JEEE CCN(Cc1cnn(C)c1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CC(=O)N(CCOC)C1 1615507804 DACCHVCFGUOOMY-LJQANCHMSA-N 462.558 2.072 30 10 JEEE CCOC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCN(C)CCOC)C1 1616016084 IAHBKUIIUWSBMY-HXUWFJFHSA-N 455.563 2.110 30 10 JEEE COc1cc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2CC2(C(N)=O)CCOCC2)cc(OC)c1OC 1619079221 DGTTVUZMAJHPPP-XMMPIXPASA-N 498.584 2.383 30 10 JEEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@H](CCC(N)=O)N1C(=O)c2ccccc2C1=O 1627292162 STKDSOOAUBSTIR-FQEVSTJZSA-N 451.527 2.299 30 10 JEEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2CSCN2C(=O)c2ccc(OCC)cc2)n1 1639992413 XRUCREKIZXKCIM-NRFANRHFSA-N 456.568 2.105 30 10 JEEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCN(C(=O)c3cccc(F)c3)CC2)CC1 1657306843 FHYSTDGVFIRADE-FQEVSTJZSA-N 455.559 2.054 30 10 JEEE C=CCC[C@@H](NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)c1ccc(C(F)(F)F)cc1 1668176102 GLZSRECIVDTMQD-MRXNPFEDSA-N 455.524 2.124 30 10 JEEE CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1 1672493894 APMSZCVPEYRRKQ-OAQYLSRUSA-N 457.556 2.480 30 10 JEEE C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)c1cccc(C#N)c1 1676035214 HJMWINPSRFTPRR-MRXNPFEDSA-N 456.524 2.107 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(F)cc2Br)n1CCN1CCCS1(=O)=O 1689840250 WEOUVYVABPHXRZ-ZDUSSCGKSA-N 470.368 2.340 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CCC(=O)N1CCOCC1 1689841203 AYVRAFDNBIMCIF-HNNXBMFYSA-N 476.375 2.423 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1Cc1ccc(N2CCOCC2)cc1)[C@@H]1CCS(=O)(=O)C1 1689980030 KMMFTRYRPVOTSS-DENIHFKCSA-N 471.627 2.303 30 10 JEEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(F)c(C)c1)[C@H]1CCS(=O)(=O)C1 1689982789 UOBWXYCAXOJMLK-GBXCKJPGSA-N 490.601 2.441 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CCC(F)(F)C1)[C@@H]1CCS(=O)(=O)C1 1689982858 VXLBMLSYONRRCR-OPYAIIAOSA-N 486.585 2.381 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@@](C)(OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1689983025 ZDIZXWPHLCYKSX-WMZHIEFXSA-N 458.584 2.396 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2Cc2ccc(OC)nc2OC)CC1 1690148780 UNLIEFNLZUWKLL-UHFFFAOYSA-N 492.555 2.434 30 10 JEEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2nccc(OCC)n2)CC1 1690172491 GZVFPKJTDBJDAL-GOSISDBHSA-N 457.604 2.054 30 10 JEEE C#CCSCCn1c(COc2ccccc2OCC)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1690185440 ZFEPZKQMMJRYJW-QZTJIDSGSA-N 455.584 2.337 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@](C)(O)c1ccccc1Cl 1690190089 KWQOQBBQSRCUOZ-IPHXSNPTSA-N 466.007 2.442 30 10 JEEE C=CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1690469412 OIOBCNYICFYDFB-CEXJFXJFSA-N 460.579 2.173 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(Cc2cnc(C)s2)CC1 1690723603 WRBIRPVIJIOMOA-UHFFFAOYSA-N 450.634 2.234 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2Cc2cccnc2OC)c1 1705503840 GFGMWIUBWAHMMC-UHFFFAOYSA-N 473.537 2.022 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(CC)CC)n2Cc2cnn(C)c2C)c1 1705504482 XPJWRXACUUBJGL-UHFFFAOYSA-N 476.585 2.343 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CCCN(C)C(C)C)c1 1705504587 BEGNOUVSVKIFEG-FQEVSTJZSA-N 451.575 2.016 30 10 JEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CCn1cc(C)cn1)[C@H]1CCS(=O)(=O)C1 1705560464 HDNMHXPASXUWKG-IBGZPJMESA-N 458.975 2.430 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccc(OCC=C)cc1)[C@H]1CCS(=O)(=O)C1 1705564880 DXYSQMYGCVDWQZ-UXHICEINSA-N 456.568 2.022 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1CCc1cccc(OCCC)c1)[C@H]1CCS(=O)(=O)C1 1705566490 OPRJPYZXYSELMT-FQEVSTJZSA-N 480.594 2.393 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCCO[C@@H]2C(C)(C)C)CC1 1705644548 UNUXONIOYDHERS-PMACEKPBSA-N 472.634 2.223 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[C@H](C)c2ccc(OC)cc2)CC1 1705648273 VAUUAISNCVWQST-PGRDOPGGSA-N 478.597 2.397 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1705652939 SORLTVPVOJSIRR-CLOONOSVSA-N 483.638 2.385 30 10 JEEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1Cc2ccccc2[C@H]1C 1705737179 LJVBAQZOAHAGHS-YLJYHZDGSA-N 461.588 2.285 30 10 JEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](CC)NC(=O)OC(C)(C)C)C1CC1 1705853478 BNEKPMQGTQMOPQ-FUHWJXTLSA-N 498.650 2.069 30 10 JEEE C=CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCCN1S(C)(=O)=O 1705881174 DQKLUNIFBJGBLV-OAHLLOKOSA-N 487.424 2.099 30 10 JEEE C=CCn1c(-c2c[nH]c3ccccc23)nnc1N1CCN([C@@H](C)C(=O)NCCCOC)CC1 1705889527 CBZDRJDPNAAGCS-SFHVURJKSA-N 451.575 2.276 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1705895366 DMTGTMDDLLGWRF-ZWKOTPCHSA-N 463.485 2.233 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1705898615 RGQACNVKLJHDDG-HUUCEWRRSA-N 480.294 2.263 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N(C)[C@H](C)CC#N 1705931748 YZBRDJVRRYHSBX-CYBMUJFWSA-N 455.382 2.385 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1705931992 HKGBTKLSHJSWAJ-NRFANRHFSA-N 464.551 2.390 30 10 JEEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCN(c2ncc(Cl)cc2Cl)CC1 1705938221 QPLUBEQBPGZXOT-UHFFFAOYSA-N 489.429 2.444 30 10 JEEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CC[C@@](C)(O)c1ccccc1 1710734549 HAQIYHQTLRCXNK-UQBPGWFLSA-N 476.585 2.489 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@H]1CC[C@H](CO)O1 1722293591 RZAXUOTUSNTPSA-OKZBNKHCSA-N 450.543 2.063 30 10 JEEE C#CCCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCCN(S(C)(=O)=O)CC1 1722317395 SYKIRHVTSGFFCT-HXUWFJFHSA-N 459.572 2.066 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@](C)(O)C(C)C 1722389333 HVWXUUJHZXNBEA-QHCPKHFHSA-N 457.600 2.065 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](C)CN2CCCCC2)CC1 1722448760 HCRGRZIJIBUAME-NRFANRHFSA-N 463.630 2.352 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(Cn2ccnc2)c1 1722468023 ZAOVDKVMNGWUOA-WZONZLPQSA-N 467.599 2.174 30 10 JEEE C=C(Cl)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H](C)O[C@H](COC)C1 1722545520 HVPWNSJQYDNHCV-RDJZCZTQSA-N 469.995 2.188 30 10 JEEE C=CCOc1ccccc1Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(NS(C)(=O)=O)CC1 1722708423 SPFQFOXLBXFMHQ-UHFFFAOYSA-N 499.641 2.271 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1CCN/C(O)=C1\N=CC=CC1=O 1740537679 XVMNQCOEQUCDOY-BQOWYSNXSA-N 472.347 2.030 30 10 JEEE C#CCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1740588190 LEBNPUXSVJEGQV-UHFFFAOYSA-N 452.559 2.078 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1CCN(C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1740620919 HZADTCSXCUJFHV-QFIPXVFZSA-N 464.595 2.099 30 10 JEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1CCc1ccc(OCC(F)(F)F)nc1 1740657902 BSVBMSYTCONYBR-UHFFFAOYSA-N 474.487 2.442 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@H]1CCN(S(C)(=O)=O)C1 1740682341 RSGJPNFZCIRCCG-MSOLQXFVSA-N 491.683 2.499 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC2CC(C)(C)C2)CC1 1740698813 WRRGHPUNLXOROV-UHFFFAOYSA-N 470.643 2.387 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2CCNC(=O)OC(C)(C)C)CC1 1740700431 SWXPLTDKQSGXCW-UHFFFAOYSA-N 458.538 2.276 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Oc1cccc(F)c1 1740732310 YPZDFVSTYJWFJA-DHJUGAMNSA-N 491.589 2.210 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CN2CCCC2=O)n1CC1(S(C)(=O)=O)CCC1 1740917205 KBLHGYGCWLQLMJ-UHFFFAOYSA-N 482.610 2.432 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(NC(C)C)CC1 1740990492 BCUIXJMTHGRZNR-UHFFFAOYSA-N 485.614 2.162 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2ccccc2Cl)C1 1740991569 ZHWWZLZRMRWEMD-ZWKOTPCHSA-N 479.990 2.061 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCOC1CCCCCC1)[C@@H]1CCS(=O)(=O)C1 1748817697 OMQBKGWLPASHAX-RTBURBONSA-N 450.605 2.148 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@H](C)N(C)C1CC1)[C@H]1CCS(=O)(=O)C1 1748823774 BJSFSGCNNIPKDJ-PXNSSMCTSA-N 475.590 2.106 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](CC)Oc1ccccc1F 1748929708 OCNZFDASZKNZRS-XLIONFOSSA-N 479.578 2.067 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)(C)C)n2Cc2cccn(CC)c2=O)n1 1748970745 QEXXBBLTAPZFEP-UHFFFAOYSA-N 451.575 2.288 30 10 JEEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1749039771 ASOMNCRKHOSDQQ-QFIPXVFZSA-N 453.660 2.235 30 10 JEEE C#CCSCCn1c(Cc2ccsc2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1749045227 YFSSMSBCJJGUST-KRWDZBQOSA-N 458.657 2.086 30 10 JEEE C=C(Br)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H](C)CC(N)=O 1749104050 KOOOHWYYKICMPM-KGLIPLIRSA-N 487.399 2.195 30 10 JEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(N3CCC(OC)CC3)CCCC2)CC1 1749286385 JSOILOBWZVBRJN-LJQANCHMSA-N 480.679 2.468 30 10 JEEE C=CCC(C)(C)Cn1c(N2CCN(c3ccc(C(N)=O)cn3)CC2)nnc1[C@@]1(OCC)CCOC1 1749376682 BLTQWIWNIBUPQX-RUZDIDTESA-N 483.617 2.353 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1749687207 NZEGMPRFIOAVOO-QHCPKHFHSA-N 454.531 2.060 30 10 JEEE C=CCSCCn1c(-c2ccccc2OC)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1749751485 WNZUMPSFWBKNLJ-INIZCTEOSA-N 451.618 2.343 30 10 JEEE C#CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1760148083 NXPTURXHUPNWGQ-SFHVURJKSA-N 475.615 2.484 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@@]1(C)CCCO1)[C@@H]1CCS(=O)(=O)C1 1760180635 IPPKTZMZYODULJ-DNVCBOLYSA-N 482.404 2.232 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H](C)Oc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1760188612 POZWBPWESODSQA-NSHGMRRFSA-N 476.574 2.405 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2CC(=O)NCC(F)F)CC1 1760255967 QWMBJVYAVJYXPI-OAHLLOKOSA-N 462.570 2.268 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 1760374066 HRRVYIDPTSEULK-UHOSZYNNSA-N 451.015 2.351 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](OC)c2ccccc2)CC1 1760402858 WUSLNQNBGAIRBH-SFTDATJTSA-N 475.615 2.401 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccn3)n2C[C@H](N2CCOCC2)C(F)(F)F)C1 1760546882 YGXZAJCMRAPWAR-OALUTQOASA-N 466.508 2.308 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCOC(C)(C)[C@H]1C 1760554595 HXWGYOXHFXZCDJ-APWZRJJASA-N 462.572 2.395 30 10 JEEE CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@@](C)(O)c1ccc(F)cc1 1766397561 BADMCVGXHJWFFV-XMMPIXPASA-N 482.564 2.102 30 10 JEEE CN(CCN1CCOC(C)(C)C1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCCS1(=O)=O 1767379812 AUIPQYUNSBGKCD-OAQYLSRUSA-N 486.642 2.331 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)CN2CCN(c3nc(O)cc(C(C)C)n3)CC2)nc1C 1859430842 LFOGLVGTUONUMY-UHFFFAOYSA-N 460.560 2.174 30 10 JEEE COc1cccc(C(=O)C2=C(O)C(=O)N(C[C@@H](C)O)[C@@H]2c2cc3c(cc2[N+](=O)[O-])OCCO3)c1 1862708885 HGCFLJNNQCPOBH-MPBGBICISA-N 470.434 2.334 30 10 JEEE C=CCOc1ccccc1[C@H]1C(C(=O)NCCCN2CCOCC2)=C(N)Oc2c1c(C)nn2CC 1864319156 OEULLQMYBVANJQ-JOCHJYFZSA-N 481.597 2.309 30 10 JEEE CSCC[C@@H](NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1)C(=O)N1CCC(O)CC1 1868782107 DBXXZWHBUCIDFN-MOPGFXCFSA-N 464.657 2.246 30 10 JEEE C=CCn1cc(OCC(=O)Nc2ccccc2C(=O)OC)c(=O)cc1CN1C[C@H](C)O[C@H](C)C1 1870741759 BSBQWRQVAZQKED-HDICACEKSA-N 469.538 2.448 30 10 JEEE C#CCO[C@@H]1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(Oc3ccccc3OC)cc2)C1 1892109124 ZRTMYSYCWPKFBC-IEBWSBKVSA-N 458.536 2.405 30 10 JEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)CCN1Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2106597981 UWNBEMARZHHCFK-UHFFFAOYSA-N 466.409 2.368 30 10 JEEE CC[C@@H](CNC(=O)c1nn(C)c(Cl)c1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2255655046 HFFXQDOZOALGSW-LBPRGKRZSA-N 456.780 2.406 30 10 JEEE CC(C)(C)OC(=O)N1CC(NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)c(F)c2)C1 2255747135 FSROTTDJWNJZFS-UHFFFAOYSA-N 456.345 2.023 30 10 JEEE CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2255875062 QUNMDTLHZFEONV-CABCVRRESA-N 452.382 2.411 30 10 JEEE C[C@@H](c1cscc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)[C@H](CO)NC(=O)OC(C)(C)C 2256624233 LMCXUVBVFKDAKG-BBRMVZONSA-N 454.398 2.452 30 10 JEEE Cc1cc(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 2267152305 MPYRWKQYTIROON-CVEARBPZSA-N 466.409 2.456 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)[C@@H]2COC[C@H]12 2267287684 XMAODCVULSGRPW-FVQBIDKESA-N 464.393 2.411 30 10 JEEE CC(C)(C)OC(=O)NCC1(NC(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2F)COC1 2267403718 QYGMRBFAJFWLMB-UHFFFAOYSA-N 450.316 2.148 30 10 JEEE CC(C)(C)OC(=O)NC1(C(=O)N2CCc3sc(B4OC(C)(C)C(C)(C)O4)cc3C2)COC1 2268720137 QBCKBOWVPILJKG-UHFFFAOYSA-N 464.393 2.226 30 10 JEEE Cc1cc(C(=O)NCC[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)oc1B1OC(C)(C)C(C)(C)O1 2281980069 IDAYQVVKNJTXEU-QHCPKHFHSA-N 464.368 2.379 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H]2CCN(C(=O)c3ncc(B4OC(C)(C)C(C)(C)O4)cn3)C[C@H]21 2282012933 CHHNIZUBZNQAER-NVXWUHKLSA-N 458.368 2.247 30 10 JEEE COC(=O)C1(NC(=O)OC(C)(C)C)CC(NC(=O)c2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2282029850 XXGIRQJGSLWJKU-UHFFFAOYSA-N 480.392 2.376 30 10 JEEE C[C@@H]1CCCN(C(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)[C@H]1CNC(=O)OC(C)(C)C 2282034345 GXJWOJUFFFQGNR-WBVHZDCISA-N 462.400 2.485 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1 2282051961 KRVWUWWTGAFHQL-CVEARBPZSA-N 460.384 2.109 30 10 JEEE CC(C)(C)OC(=O)N(CCO)[C@H]1CCCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)C1 2282199743 IDUBUJRTVGFGRT-INIZCTEOSA-N 464.368 2.413 30 10 JEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2282409424 KFTAVHIJRJKRPJ-ZWKOTPCHSA-N 464.343 2.489 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](CNC(=O)c2c(F)cccc2B2OC(C)(C)C(C)(C)O2)[C@@H](O)C1 2282465033 FBFWXEXLUWIHIW-YOEHRIQHSA-N 464.343 2.083 30 10 JEEE Cc1nc(S(=O)(=O)N(Cc2ccccc2)C[C@H]2CCCO2)c(B2OC(C)(C)C(C)(C)O2)n1C 2282505909 KWELSFIDJAXOGU-LJQANCHMSA-N 475.420 2.398 30 10 JEEE C[C@@H]1CCCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)[C@H]1CNC(=O)OC(C)(C)C 2282533416 KZMICJJFHYEPOM-WBVHZDCISA-N 462.400 2.485 30 10 JEEE Cc1nn(C)c(C(=O)N2C[C@H](C)N(C(=O)OC(C)(C)C)C[C@H]2C)c1B1OC(C)(C)C(C)(C)O1 2282559236 OALFXILEJIPXCS-CABCVRRESA-N 462.400 2.498 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C(F)(F)F 2282588375 UGVMBUDYMBBCMG-ZDUSSCGKSA-N 476.305 2.388 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@H]2CCN(C(=O)c3csnc3B3OC(C)(C)C(C)(C)O3)C[C@H]21 2282614706 UDQZDKDKSJFHPZ-HZPDHXFCSA-N 479.408 2.293 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@@]2(CNC(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)C1 2282622609 IPGWJSVZPZETKM-WNSKOXEYSA-N 462.352 2.335 30 10 JEEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H](NC(=O)c3ncncc3B3OC(C)(C)C(C)(C)O3)[C@H]1CC2 2282684784 WFYIILIUIAOVKC-BHYGNILZSA-N 458.368 2.436 30 10 JEEE CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1nscc1B1OC(C)(C)C(C)(C)O1 2283970081 SMYUCSAXADHSTH-IUODEOHRSA-N 483.396 2.076 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@]1(C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2283970510 GLXYQMZLLCEJKV-QRQCRPRQSA-N 465.331 2.388 30 10 JEEE COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1NC(=O)CN(C)CCNC(=O)OC(C)(C)C 2284069358 PSHKNSLPIQDANV-UHFFFAOYSA-N 463.384 2.389 30 10 JEEE CC1(C)OB(c2cnc(C(=O)NCCN(CC(=O)O)Cc3ccccc3)c(Cl)c2)OC1(C)C 2284469030 UMUCOKRDGNYWJX-UHFFFAOYSA-N 473.766 2.351 30 10 JEEE CC1(C)OB(c2ccc(O)c(C(=O)N3CCC[C@@H](NC(=O)C(F)(F)F)CC3)c2)OC1(C)C 2286120691 MZGCJNIRSUYFKN-CQSZACIVSA-N 456.270 2.365 30 10 JEEE CN(Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)C#CC1(S(C)(=O)=O)CCC1 2302954625 GPYOCXNBQAEHNA-UXHICEINSA-N 450.601 2.343 30 10 JEEE Cc1scc(C(=O)NCC2(NC(=O)OC(C)(C)C)COC2)c1B1OC(C)(C)C(C)(C)O1 2320452606 SLVKAICIZVVBIO-UHFFFAOYSA-N 452.382 2.379 30 10 JEEE CN(C(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1F 2320554725 HWVHUIDBYLBKAN-QWHCGFSZSA-N 455.361 2.472 30 10 JEEE COc1ccc(C=C2Oc3c(CN4CCN(CCO)CC4)c(O)cc(C)c3C2=O)c(OC)c1 2324194294 PCJIQPDFGVRCNC-UHFFFAOYSA-N 454.523 2.444 30 10 JEEE COc1ccc(OC)c(C=CC(=O)[C@@H]2CNCC[C@H]2NC(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)c1 2328155836 NDWWUMPMETUQLY-KNXBSLHKSA-N 491.544 2.065 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2CC[C@@]1(C(=O)N=c1nc(B3OC(C)(C)C(C)(C)O3)[nH]s1)C2 2334387207 XQAXWOWJWNTHKG-OSRJUQGESA-N 464.397 2.281 30 10 JEEE Nn1c(N/N=C/c2cc([N+](=O)[O-])ccc2O)nnc1SCC(=O)Nc1ccc(F)cc1F 20527372 BPKSSJAGZKSHIR-QPSGOUHRSA-N 464.414 2.061 30 10 JEEE COc1ccc(CN(CC(=O)NO)S(=O)(=O)c2ccc(Br)cc2)cc1OC 20665060 ABJOAEMMDUXFAL-UHFFFAOYSA-N 459.318 2.163 30 10 JEEE COC(=O)c1ccc(/C=N/Nc2nnc(SCCC(=O)Nc3ccccc3NC(C)=O)n2N)cc1 20914217 RMJVSUKSFQYAAK-ZMOGYAJESA-N 496.553 2.304 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)NCc3ccccc3Cn3cccn3)cc2C1=O 22066765 AKOKOAYBTFEILA-UHFFFAOYSA-N 458.474 2.187 30 10 JEEE COc1cc(/C=C\C(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)ccc1OCC#N 33578975 HYMFEMBWBLBKDN-POHAHGRESA-N 455.536 2.452 30 10 JEEE C=CCN1C(=O)N[C@H](c2ccccc2C(F)(F)F)C2=C1CN([C@H](C)C(=O)NCCOC)C2=O 35971479 SNAVZWUQEVYMNK-FZKQIMNGSA-N 466.460 2.205 30 10 JEEE NC1=C(c2nc3ccccc3s2)C(=O)CN1c1ccc(C(=O)NCCN2CCOCC2)cc1 64838287 GGMBILPWERTPLC-UHFFFAOYSA-N 463.563 2.075 30 10 JEEE C#CCNC(=O)c1ccc2oc(N3CCN(S(=O)(=O)c4cccc(Cl)c4)CC3)nc2c1 247982287 HINFCAUODCRGPO-UHFFFAOYSA-N 458.927 2.355 30 10 JEEE Cc1nn(-c2ccccc2)c(N(C)C)c1/C=N/Nc1nnc(SCC(=O)Nc2ccccn2)n1N 253572148 PVXARRVODUICSQ-DHRITJCHSA-N 491.585 2.124 30 10 JEEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Cn1cnc2c(c(Br)nn2C)c1=O 303129139 HVCIUGBYIGTRRE-UHFFFAOYSA-N 461.276 2.016 30 10 JEEE C=CCC1(O)CN(C(=O)c2cc(I)cc(I)c2O)C1 720832121 ANGNXTJOAOPMDE-UHFFFAOYSA-N 485.059 2.364 30 10 JEEE C#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)[C@H]1COC[C@@H]1C(=O)O 757270539 RMLXUOQYZWJBNF-VABKMULXSA-N 462.502 2.475 30 10 JEEE CC(=NNc1ccc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)cn1)c1ccc(S(N)(=O)=O)cc1 916335741 VFTZWYIRFKZHBN-GASCZTMLSA-N 465.601 2.232 30 10 JEEE CCc1nnc(CN(C)C(=O)CSc2nnc(NN=Cc3cccc4ccccc34)n2N)o1 1084547677 UUDXSGSMBGMAIT-UHFFFAOYSA-N 465.543 2.287 30 10 JEEE C=C(C)C[C@@H](CO)NC(=O)[C@@H](CC(N)=O)NC(=O)OCC1c2ccccc2-c2ccccc21 1153319421 QLRHXGFFXNRPAO-KSFYIVLOSA-N 451.523 2.212 30 10 JEEE C=CCn1cc(CNC(=O)N2CC[C@@H](c3cccc(F)c3)[C@@H](NC(=O)C(F)(F)F)C2)nn1 1230271842 KVDJTEHWXMKRTG-IRXDYDNUSA-N 454.428 2.349 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCc1cccc(C)n1)[C@@H]1CCS(=O)(=O)C1 1286387976 JHZSLGZKMDRXPW-JOCHJYFZSA-N 460.563 2.390 30 10 JEEE C#CCN(c1nnc(C2CCC2)n1Cc1ccc(NC(=O)N(C)C)cc1)[C@H]1CCS(=O)(=O)C1 1286388957 DCLIBFBWACVVOF-FQEVSTJZSA-N 470.599 2.314 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1Cc1nc(C)c(C)s1)[C@@H]1CCS(=O)(=O)C1 1286395226 LWWSMNYUERVYFY-LJQANCHMSA-N 496.618 2.477 30 10 JEEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC1(O)CC(OCC)C1 1286413881 PDIJMXMOYSQDOQ-UHFFFAOYSA-N 471.602 2.395 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)nc2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1286424784 KNBLUUYSSMTNCU-HXUWFJFHSA-N 468.005 2.399 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2Cc2ccn(C)n2)CC1 1286475057 VYVPMUJHJNUSPL-UHFFFAOYSA-N 470.375 2.253 30 10 JEEE C#CCN1CCN(c2nnc(-c3nn(C(C)C)c(=O)c4ccccc34)n2CCCOCC)CC1 1286480423 WGTDPRSVWWGULJ-UHFFFAOYSA-N 463.586 2.418 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3noc4c3COCC4)n2C[C@H](OC)[C@@H](C)CC)CC1 1286490617 NRROGEHHWURATQ-JXFKEZNVSA-N 470.574 2.033 30 10 JEEE C#CCSCCn1c(N2CCO[C@@H](c3cnn(CC)c3)C2)nnc1[C@]1(OC(C)C)CCOC1 1286513492 WGKNNXIOPSOYLN-OFNKIYASSA-N 474.631 2.479 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(Cn2cccn2)cc1 1286517319 QMIHKIJMPVUYRW-WZONZLPQSA-N 467.599 2.174 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1286780345 NHTYERZOXGYDLJ-CVDCTZTESA-N 457.600 2.137 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N(C)Cc1ncnn1CC(F)F 1286784843 VSTYPKUXTDUUHS-UHFFFAOYSA-N 467.484 2.289 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1286789951 AQKBBQLPFISDCG-RRQGHBQHSA-N 467.448 2.249 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCOC3)n2CCOc2ccc(S(C)(=O)=O)cc2)C1 1286810730 VDQGJXLLFDIOMI-MJGOQNOKSA-N 462.572 2.046 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1286823808 YOHNNSUTARWXKH-RTBURBONSA-N 471.631 2.036 30 10 JEEE CCC(O)(CC)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1292283144 BEMORXSBESGBNO-VQTJNVASSA-N 473.599 2.181 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2CCN2CCOC(C)(C)C2)c1 1300336431 ICVAYGLPJIWVQM-OAQYLSRUSA-N 466.586 2.297 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2ccccc2F)n1CCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1300485833 ZJHOPHSKWICBSW-MJGOQNOKSA-N 486.573 2.389 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCC(=O)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1300499381 RBLIKEYBHARYGE-OAQYLSRUSA-N 487.601 2.037 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CCCOc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1300501560 MBVPQKFYOQYSKM-NRFANRHFSA-N 483.569 2.499 30 10 JEEE C=CCCOCCn1c(-c2noc3c2COCC3)nnc1N1CCCN(C(=O)C(C)C)CC1 1301253257 XDXHPQBAQAOMNO-UHFFFAOYSA-N 458.563 2.293 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCc2nc(O)c(C#N)cc2C1 1301490752 YOZXDQBPHHSBPP-UHFFFAOYSA-N 479.928 2.444 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1301514053 DOSOLTUKCPYCGN-JTHBVZDNSA-N 482.629 2.323 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H](C)CC)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1301529375 JCVAZRXFYHBHBY-GOSISDBHSA-N 466.586 2.332 30 10 JEEE CCS(=O)(=O)CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)C[C@H](C)C#N 1314534726 HPJIXUWMXZAPHG-IAGOWNOFSA-N 468.624 2.423 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CCC(=O)N1CCCCC1 1316085548 BGGKAVWSLXUDQS-NRFANRHFSA-N 479.585 2.156 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2CCc2cccc(C)n2)c1 1358902835 AVNJONRVRCOUIY-UHFFFAOYSA-N 471.565 2.403 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3OCC[C@H]3COC)n2CC2([S@@](C)=O)CCC2)c1 1358904141 WLZNAOFVGWWEEC-DOLDHQSHSA-N 499.637 2.360 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@H](C1CC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1358956278 CTRDDAGXLNCEKC-SJLPKXTDSA-N 495.447 2.003 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H](C)Cc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1358963012 AHUCNZLVVVVWGS-NRSPTQNISA-N 472.611 2.296 30 10 JEEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1CCN1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 1358966316 MLBMKTXTCCNEGS-JOCHJYFZSA-N 483.638 2.363 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCCCO2)n1CC(=O)N1CCN(c2ccccc2)CC1 1358993751 WCIQZRSNUNWFRL-HSZRJFAPSA-N 460.582 2.331 30 10 JEEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2cc(Cl)c(OCC)c(OC)c2)CC1 1359037979 GCRABMVHPSZKAW-UHFFFAOYSA-N 487.004 2.265 30 10 JEEE C#CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1359059780 ZVNACEKFEPTRPB-KRWDZBQOSA-N 453.572 2.160 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1359097149 LKQIIQJFWSXBLO-SIKLNZKXSA-N 455.607 2.245 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)CC[C@H]1C 1359098642 DGFBEKSBWWRQEW-UEDWAMCQSA-N 467.636 2.217 30 10 JEEE C=CCC(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](CNC(C)=O)C1 1359191456 ZWXIVFQGBOTNJM-QGZVFWFLSA-N 460.604 2.213 30 10 JEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NC[C@@H]3CCCN3C3CCCCC3)CC2)cc1 1478537009 BTYRRMJUTHIPTO-NRFANRHFSA-N 459.616 2.371 30 10 JEEE CCCC(=O)NC[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCOCC2)C1 1499922589 AXEDVEBUSIHJDU-HXUWFJFHSA-N 466.586 2.491 30 10 JEEE CCOC(=O)N[C@H](CC(C)C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)CC#N 1502516597 FBOAPAHHLKGKGX-GVDBMIGSSA-N 454.597 2.079 30 10 JEEE CCS(=O)(=O)N(C)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCCC2)CC1 1503261639 BQSLCEIZZMIKCY-UHFFFAOYSA-N 472.615 2.372 30 10 JEEE CN(C)C(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](c2nccs2)C1 1503366553 BVHZDEQLHZVQJT-GOSISDBHSA-N 467.555 2.241 30 10 JEEE C#CCN(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1507608888 MXGXGCONSARVNS-SFHVURJKSA-N 469.567 2.468 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2c(c1)[C@@H](C)[C@@H](C)O2 1507671726 OXSGPYQMGBJJHU-YYDVJCTNSA-N 497.621 2.007 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cn(CCCC)nc2C)CC1 1507715527 CJEHLSGFVHNYGU-UHFFFAOYSA-N 461.574 2.034 30 10 JEEE C=C(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1507830209 YGNRVNUCWPFAOM-HDICACEKSA-N 451.575 2.314 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)C(C)C)CC1 1508105704 SVAXDZFCABWFLO-HXUWFJFHSA-N 487.626 2.098 30 10 JEEE C=CCSCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1508149814 CXLLURKMICNQQW-KRWDZBQOSA-N 488.614 2.446 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCNC(=O)c1ccc(C)c(F)c1 1539005346 YXYVWYWWEMSWLF-HNNXBMFYSA-N 452.490 2.341 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCc2n[nH]c(C)n2)CC1 1539469685 UGWHXGRWAUGMBJ-MRXNPFEDSA-N 480.548 2.192 30 10 JEEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCc2c(ccnc2O)C1 1539500567 YXEIYQUFVIFKMZ-UHFFFAOYSA-N 498.634 2.225 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1540864937 PIXNIACBOXSCIS-CQSZACIVSA-N 467.452 2.228 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1540865279 AHXJSGOIFRMZAG-UHFFFAOYSA-N 488.658 2.310 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@](C)(OC)CC1 1540871162 FXPACHSZVCDGSG-HOYKHHGWSA-N 492.621 2.284 30 10 JEEE CC(=O)N1CCC(C(=O)N2CC[C@@]3(CO)CN(c4ccc(C#N)c(C(F)(F)F)c4)C[C@H]3C2)CC1 1548366568 IATRVKIQYJHUOU-XXBNENTESA-N 478.515 2.483 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(C(C)C)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1555544690 GMHMEHCNYHZVII-HXUWFJFHSA-N 460.604 2.208 30 10 JEEE COCCn1cc(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCC[C@@](C)(C#N)C2)cn1 1555568845 FRZNNKFDOSQENK-QHCPKHFHSA-N 483.598 2.370 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CC2(SC)CCN(C)CC2)c1 1587683231 FJGGDRDZIDFVGE-UHFFFAOYSA-N 497.669 2.300 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CC(C)(C)CN(C)C)[C@@H]1CCS(=O)(=O)C1 1588040742 PXOUTKUIBBZHTC-LJQANCHMSA-N 459.616 2.168 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CC(C)(C)CN(C)C)[C@H]1CCS(=O)(=O)C1 1588059660 RPRHSLBMRBIDEP-FQEVSTJZSA-N 461.607 2.223 30 10 JEEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1CC1([S@](C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1588069357 MFNGONQXWDNLKU-MYGHRHJXSA-N 497.042 2.048 30 10 JEEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(N2CCOCC2)c(F)c1 1588089392 KRYCJFIYENXFMV-AREMUKBSSA-N 481.572 2.416 30 10 JEEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCN1CCCO[C@@H](C)C1 1588388039 XPAHLRWDPJTNKM-NRFANRHFSA-N 466.634 2.413 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@H]2C[C@H](C)O[C@H](C)C2)CC1 1588954114 ACAUKUYONHOMCF-CEQLMSFQSA-N 450.587 2.433 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C2CCCCC2)C(=O)C1 1589482071 FTMWBIOVHBEPQP-RXVVDRJESA-N 458.607 2.379 30 10 JEEE C=CCN(CCc1ccco1)c1nnc(CN2CCCC2=O)n1C[C@H]1CCCN(C(C)=O)C1 1595261556 RLDUSXJQJCMOLZ-FQEVSTJZSA-N 454.575 2.487 30 10 JEEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCS[C@H](C)[C@@H]1C 1595545386 WXXLOYFWZYPRNB-DLBZAZTESA-N 456.620 2.085 30 10 JEEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN(Cc2cn3ccccc3n2)CC1 1595550822 ITNAHEBWPVXTQI-UHFFFAOYSA-N 450.591 2.139 30 10 JEEE C=CCNC(=O)Cn1c(N2CC[C@@H](C)N(Cc3ccccc3)CC2)nnc1[C@@]1(OCC)CCOC1 1595602028 DDJXPRFBMBOQEQ-QFQXNSOFSA-N 482.629 2.333 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1Cc1ccc(N2CCOC2=O)cc1 1611684101 GMXDDDKBQBKAHC-INIZCTEOSA-N 487.586 2.023 30 10 JEEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2nccs2)C1 1615972518 FHIORZYZVSMZCX-KRWDZBQOSA-N 457.585 2.034 30 10 JEEE C#C[C@H](C)N(C)C(=O)c1n[nH]c(C2CN(C(=O)OC(C)(C)C)C2)c1I 1626459121 RNVMRMMBLXENKW-JTQLQIEISA-N 458.300 2.442 30 10 JEEE C=CC[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c1)C(=O)OCC 1632656598 VEIVNZUBDKTIKT-VBQJREDUSA-N 458.964 2.376 30 10 JEEE C=CCN(C(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1)[C@@H]1CCS(=O)(=O)C1 1672634842 MSPYJEJPVCEQPM-SJLPKXTDSA-N 455.602 2.314 30 10 JEEE C=CCn1cc(CNC(=O)NCc2ccnc(N3CCN(c4ccc(F)cc4)CC3)c2)nn1 1681505725 OVDYHWUUGIDOQB-UHFFFAOYSA-N 450.522 2.324 30 10 JEEE C#CCN(c1nnc(CCOc2ccccc2)n1CC1(SC)CC1)[C@@H]1CCS(=O)(=O)C1 1689993999 OYUHMSNBZJAVBH-GOSISDBHSA-N 460.625 2.422 30 10 JEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CC(F)(F)CNC(=O)OC(C)(C)C 1690101025 LJKYUHINJZKKPS-UHFFFAOYSA-N 496.515 2.252 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H]2CN(CC(C)C)CCO2)CC1 1690148525 KBLYIMOBMRPLAW-DEOSSOPVSA-N 496.631 2.331 30 10 JEEE C#CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1690160013 UDQSEGUFCAVKAZ-UHFFFAOYSA-N 463.629 2.228 30 10 JEEE C=CCCOCCn1c(C2CCCC2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1690507139 DYTBPWYPCYRRQT-HXUWFJFHSA-N 467.636 2.159 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1690663307 RYDDPQGAAJUTLJ-UHFFFAOYSA-N 465.558 2.183 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3OC)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1690694708 UGTKFAQBCYPMPH-QZTJIDSGSA-N 461.588 2.017 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CCc2ccc(NC(C)=O)cc2)C1 1690711582 DGKMYAPLZQQKTO-NRFANRHFSA-N 452.559 2.383 30 10 JEEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 1690742722 YZCHPWTXUQQKOZ-SFHVURJKSA-N 458.563 2.136 30 10 JEEE N#Cc1ccc(-c2nnc(N3CCC[C@@H](CC(N)=O)C3)n2C[C@@H](N2CCOCC2)C(F)(F)F)cc1 1698487138 BKXPYEMFVZKNOZ-PKOBYXMFSA-N 491.518 2.172 30 10 JEEE C#CCCCn1c(N2CCC([C@]3(C)NC(=O)NC3=O)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705539642 XOKIRPJTTBRPIO-UVNWJPITSA-N 499.616 2.277 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCCOC[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 1705563010 OVYMEZAODPVTMI-OALUTQOASA-N 462.572 2.059 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCc1ccncc1)[C@H]1CCS(=O)(=O)C1 1705570030 JVGVGWSHJPHNJX-NRFANRHFSA-N 453.543 2.272 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1CC1(O)CCCCC1)[C@H]1CCS(=O)(=O)C1 1705570805 RDXPZRFFXQNREJ-NRFANRHFSA-N 456.612 2.499 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CCCCS1(=O)=O 1705575130 BQDSCYPWKDYMBF-INIZCTEOSA-N 464.389 2.086 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H](C)N2CCC(C)CC2)CC1 1705644894 FLWGHTWSOAWPGD-QFQXNSOFSA-N 486.661 2.016 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](OCC)c2ccccc2)CC1 1705649111 KNYSUQGULUIOQO-JOCHJYFZSA-N 461.570 2.422 30 10 JEEE C=C(Cl)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1705754766 FSDYTHDIJCQCQS-YJBOKZPZSA-N 467.979 2.309 30 10 JEEE C=CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1)c1ccccc1 1705795347 ICWIDHDKXRWHAI-UXHICEINSA-N 491.600 2.308 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCO[C@H](COC(C)C)C1 1705894883 NMBAKUPIVRGBMG-FQEVSTJZSA-N 470.574 2.080 30 10 JEEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)[C@@H](C)c1ccco1 1705900373 AGTMCYGEUPZOOJ-HNNXBMFYSA-N 457.560 2.331 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(OC2CCC(C)CC2)CC1 1705903522 XJSDXZJUNRCPFK-XBMUEBEBSA-N 479.647 2.047 30 10 JEEE CC1CCN(CCn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1708141295 ALYIXAQELPXDLI-HSZRJFAPSA-N 489.621 2.369 30 10 JEEE CC[C@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CCS(=O)(=O)CC1 1708585426 BCXONFLACBGPQZ-KRWDZBQOSA-N 461.588 2.151 30 10 JEEE COCCn1cc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCCC[C@@H](S(C)(=O)=O)C2)cn1 1712465001 CESJJIPZRJKBSJ-OAQYLSRUSA-N 483.598 2.111 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CCN(C)C2CCCC2)c1 1722306026 NXJASPVIVJZRPP-UHFFFAOYSA-N 477.613 2.445 30 10 JEEE C#CCCCn1c(-c2ccc(Cl)nc2)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1722326668 JLIKYGKWIAIMOM-KRWDZBQOSA-N 451.980 2.437 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1722430341 AZGMAHSGLPVMED-UGKGYDQZSA-N 480.613 2.487 30 10 JEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N(CCO)Cc1ccc(Br)s1 1722458991 ZNQLTJXFXSKYFW-CQSZACIVSA-N 484.445 2.419 30 10 JEEE C=C(C)CN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1(O)CCS(=O)(=O)CC1 1722499502 JSDPKLSEMCDTES-UHFFFAOYSA-N 496.033 2.204 30 10 JEEE C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1722542962 CJDPFCMXIHRULH-GOSISDBHSA-N 458.998 2.283 30 10 JEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccc(Cl)nc2C1 1722616984 FPMSZNAGMIBSCI-QGZVFWFLSA-N 466.995 2.188 30 10 JEEE C=CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1CCN(C(=O)OC)CC1 1722679224 SJLPQSFTHBIJFE-UHFFFAOYSA-N 491.614 2.466 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1C[C@]1(N2CCOCC2)CCSC1 1722679555 FRBJCZKMDSPYDR-SIKLNZKXSA-N 451.637 2.366 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(c2cc(F)cc(F)c2)CC1 1722700728 RZPJVRBKSBSAGQ-UHFFFAOYSA-N 453.497 2.171 30 10 JEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1740582503 OGRJQLWKSPNSDZ-DVECYGJZSA-N 487.626 2.383 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H](C)N(C)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1740622118 USUDWISUEARUJP-NZQKXSOJSA-N 478.622 2.487 30 10 JEEE C#CCN(c1nnc(CC)n1Cc1cccc(C(=O)N[C@H](C)CC)c1)[C@H]1CCS(=O)(=O)C1 1740624320 FIUHIWHOSSBJQK-XLIONFOSSA-N 457.600 2.044 30 10 JEEE C#CCN(c1nnc([C@@H]2COc3ccccc3O2)n1CC(C)(C)CN(C)C)[C@@H]1CCS(=O)(=O)C1 1740627172 OOLITFVZQRPDGL-NQIIRXRSSA-N 487.626 2.005 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(F)cc2Br)n1CCN1CCCS1(=O)=O 1740650667 IULDWGVTCDLLGQ-UHFFFAOYSA-N 494.390 2.345 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C(=O)N2CCCCC2)cc1 1740671380 GFENNEWQEWFBMU-OAQYLSRUSA-N 469.611 2.314 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@]2(OCC)CCOC2)n1CC(C)(C)C(=O)NC 1740678010 XNULGIBTUSIPRJ-XMMPIXPASA-N 457.550 2.481 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CCN2CCOCC2(C)C)CC1 1740707352 YYDBYWVKBGUKGF-UHFFFAOYSA-N 482.604 2.085 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2cc(F)cc(F)c2C1 1740717227 MTNSCUJTWYLSHK-HNNXBMFYSA-N 452.552 2.388 30 10 JEEE C#CCSCCn1c(Cc2ccsc2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1740720919 RFTLRBPKUDYONC-KRWDZBQOSA-N 453.659 2.062 30 10 JEEE C#CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CCN(c2cccnn2)CC1 1740723340 QUWCDXBZEPPJRX-UHFFFAOYSA-N 465.583 2.349 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccnc(OCC(F)(F)F)c1 1740725610 SIHIRVRPFRMUPZ-IFXJQAMLSA-N 486.520 2.265 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1)C(C)C 1740926834 LOSMUXHBGIMHOH-PQNGQFLHSA-N 477.675 2.496 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCN(c2ccc(F)cn2)CC1 1740963948 BRKIIPAYRXDKQW-UHFFFAOYSA-N 481.532 2.029 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)OC1CCCC1 1740991816 FMPWQASVRJIKFJ-UHFFFAOYSA-N 475.619 2.363 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CCc2csc(C)n2)c1 1748693106 YAQOVBUSRADKQV-IBGZPJMESA-N 463.567 2.293 30 10 JEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@]1(N(C)C)CCSC1 1748770729 DKABTOIZVUXSGX-NRFANRHFSA-N 461.661 2.053 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CCO[C@@H]1CCCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1748819786 UFMSTWUPFLNQCC-ILWGZMRPSA-N 471.627 2.486 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H](Cc1ccccc1)OC)[C@@H]1CCS(=O)(=O)C1 1748823768 BIKCWGMZEGSAII-QHAWAJNXSA-N 458.584 2.014 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ncccc1N(C)C 1748858034 KIVNPQVHKZQGJD-NRFANRHFSA-N 479.585 2.169 30 10 JEEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)Cc1ccccc1F 1749037810 JRXIAZCDPMIBPK-LJQANCHMSA-N 481.619 2.143 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CCN(C)Cc2ccccc2)CC1 1749266355 HBANBOJGYIAEJS-FQEVSTJZSA-N 458.010 2.236 30 10 JEEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1749354448 QDXGLSCSRAGQGQ-JKSUJKDBSA-N 480.639 2.065 30 10 JEEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 1749459490 LDJCUWWEEHPDPN-UHFFFAOYSA-N 458.607 2.365 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC(=O)N(C)C)C1 1749710397 WTXPPDLSELPKIL-MSOLQXFVSA-N 462.595 2.262 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N(C)[C@H]1CCCN(Cc2ccccc2)C1 1749730652 MCXUTIRSKLDNHF-NRFANRHFSA-N 481.626 2.437 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1CCc1ncc(CC)s1)[C@H]1CCS(=O)(=O)C1 1760189946 SKDIGHPTMGICAL-INIZCTEOSA-N 458.613 2.172 30 10 JEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCN1CCCO[C@H](C)C1 1760196423 NDDMJVKADCLJQL-HXUWFJFHSA-N 497.669 2.120 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](OC)[C@H](C)CC)CC1 1760270878 DNXQQYYCEWIBFC-DYESRHJHSA-N 455.607 2.167 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2CCSCC#C)CC1 1760271374 WGUIGTICXIYKBY-UHFFFAOYSA-N 451.596 2.498 30 10 JEEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1760276067 RORVCLYNYYMOIM-PKOBYXMFSA-N 459.641 2.388 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)c(OC)c2)n1CCOCCS(C)(=O)=O 1760292208 UAAUFQXEZCPMBW-JOCHJYFZSA-N 462.572 2.016 30 10 JEEE C=C(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1760341255 NQLKDVUFYWAIDI-NRFANRHFSA-N 461.655 2.004 30 10 JEEE C=C(C)COCCn1c(-c2ccccc2F)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1760354696 KERYELJSMDNBRS-GOSISDBHSA-N 456.566 2.466 30 10 JEEE C=CC1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCCNS(C)(=O)=O)CC1 1760404290 ZCAAHOXZXPXFOF-UHFFFAOYSA-N 460.604 2.489 30 10 JEEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1760427689 HGKDOOYRLVJKLK-IBGZPJMESA-N 473.599 2.205 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@H](NC(=O)CC)C1 1760515894 HPWIDXFTSIIIGQ-IRXDYDNUSA-N 458.538 2.354 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1760527713 GNPOAPDLWOTIBG-QAPCUYQASA-N 475.018 2.488 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1760554519 GIYWGIOPGHJAPN-AEFFLSMTSA-N 479.990 2.058 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCN(c3ccccc3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1760558670 WVDDQTPITPCDMS-XMMPIXPASA-N 489.642 2.246 30 10 JEEE CN(C[C@@H]1CCCOC1)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1767235563 GFACSVCLIBPEOF-VQTJNVASSA-N 488.614 2.016 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H](C)O)[C@@H]2c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 1862697994 XTHFEXNDHLFPIN-FKIZINRSSA-N 470.434 2.334 30 10 JEEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@@H]2c2ccc3c(c2)OCCO3)c1 1862706827 GNVMEHJOSFVOPC-OAQYLSRUSA-N 452.463 2.181 30 10 JEEE CCOc1cc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2CCCNC=O)ccc1O 1862758954 IJACINNOKCNYJW-HXUWFJFHSA-N 469.450 2.414 30 10 JEEE C=CCN1C(=O)c2cccc(OCC(=O)Nc3sc(C(=O)OC)c(C)c3C(=O)OC)c2C1=O 1865827806 QRLATCQESHAOSQ-UHFFFAOYSA-N 472.475 2.429 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)C2CCN([C@H](C#N)c3cccs3)CC2)CC1 1868782306 GSJMNXFWNDYSKC-GOSISDBHSA-N 475.615 2.220 30 10 JEEE C=CCN(CC=C)c1nc(=NC(=O)c2ccc(-n3cccc3)cc2)n([C@H]2CCS(=O)(=O)C2)[nH]1 1870005008 SUDIVSBVOJRYEF-FQEVSTJZSA-N 466.567 2.281 30 10 JEEE Cc1cc(=O)c(OCC(=O)Nc2sc3c(c2C#N)CCC3)cn1CCN1C(=O)CSC1=O 1870089516 QFFPGJLXHTWKMJ-UHFFFAOYSA-N 472.548 2.292 30 10 JEEE COc1cc(OC)cc(-n2nnc(C#N)c2NC(=O)[C@H](C(C)C)N2C(=O)c3ccccc3C2=O)c1 1870143631 UIVHVKUXZYFMTL-FQEVSTJZSA-N 474.477 2.415 30 10 JEEE COCCc1nnc(SCC(=O)OC)n1/N=C/c1cc(Br)c(O)c(OC)c1 1874473291 WMSAWSWHBMHDKT-QGMBQPNBSA-N 459.322 2.091 30 10 JEEE CN(c1cc(C#N)ccn1)C1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccccc2F)CC1 1891299136 NMCAPICUROYJQX-HXUWFJFHSA-N 471.558 2.373 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2247882582 QYCUECJWVXQMNB-CYBMUJFWSA-N 458.411 2.335 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2CO)C1 2255161969 ZSVGODGXCKAXOG-GBXAEXGJSA-N 451.564 2.027 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](O)CN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2255659001 LTNRURWMSYRZKN-GJZGRUSLSA-N 452.382 2.147 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](O)CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2255703521 TZPLXSUTKOPAQZ-ZIAGYGMSSA-N 452.382 2.147 30 10 JEEE CN(C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCN(C(=O)OCc2ccccc2)C1 2255870542 MFHQLFZIHDXHSX-SFHVURJKSA-N 466.347 2.259 30 10 JEEE CC(C)(C)OC(=O)N1CC(CO)(CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2255874944 OYMFHINFHIREOF-UHFFFAOYSA-N 452.382 2.007 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NC2(CNC(=O)OC(C)(C)C)CCN(C)CC2)C1 2266531164 ZDCPOPNHNDBXPL-UHFFFAOYSA-N 464.607 2.398 30 10 JEEE CC1(C)OB(c2ccc(C(=O)N[C@@H]3COCCN(C(=O)OCc4ccccc4)C3)nc2)OC1(C)C 2267259475 AAPAXGGVEWJWTD-FQEVSTJZSA-N 481.358 2.148 30 10 JEEE Cc1nc(C(=O)NCCOCCCNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2267490175 YTPODHJNESOEKD-UHFFFAOYSA-N 469.413 2.412 30 10 JEEE CN(C(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)c2nn(C)c(Cl)c2B2OC(C)(C)C(C)(C)O2)C1 2267501444 YFTTUEBQCZVZAD-CYBMUJFWSA-N 468.791 2.454 30 10 JEEE C=CC1(NS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2267709947 KWGNGWRKYMEREX-UHFFFAOYSA-N 485.437 2.037 30 10 JEEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)[C@@H](C#N)C1 2267716934 VNSVYUGSZNDWDK-HNNXBMFYSA-N 483.421 2.181 30 10 JEEE CO[C@@H]1C[C@@H](C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)N(C(=O)OC(C)(C)C)C1 2268638582 JHFYFLZECITPER-HIFRSBDPSA-N 467.397 2.083 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H](CO)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1F 2268718070 WDHRBPRWWXPMAZ-LBPRGKRZSA-N 456.295 2.336 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CN(C(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)[C@]2(CCOC2)C1 2281800201 GBOWUIXIDZOZKC-JLCFBVMHSA-N 479.408 2.341 30 10 JEEE Cc1c(C(=O)N[C@@H]2C[C@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281810401 OUOAXYBIIIQLMT-ARFHVFGLSA-N 460.384 2.155 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N=[S@](C)(=O)CCN(C)C(=O)OC(C)(C)C 2281964973 FXTZRUDCMQAQSZ-MGBGTMOVSA-N 484.428 2.307 30 10 JEEE Cc1nn(C)c(C(=O)N(C)[C@H](CNC(=O)OC(C)(C)C)C2CC2)c1B1OC(C)(C)C(C)(C)O1 2281990574 OWMWLZKGBMSTOA-MRXNPFEDSA-N 462.400 2.403 30 10 JEEE CCc1nn(C)c(C(=O)N[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2281992660 QACPLXLDPZUOJP-HNNXBMFYSA-N 462.400 2.411 30 10 JEEE Cn1nc(C(=O)N2C[C@@H]3C[C@H](C2)CN3C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2282050936 QEVKDOZSCHUNAQ-KGLIPLIRSA-N 480.802 2.454 30 10 JEEE CN(Cc1ccccc1)[C@]1(CNC(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CCOC1 2282090547 AOADYJJHHFXCAD-VWLOTQADSA-N 451.376 2.402 30 10 JEEE COC(=O)[C@H](CCNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1)NC(=O)OC(C)(C)C 2282186217 RFEOZUXPNIDYNJ-KRWDZBQOSA-N 462.352 2.172 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@@](C)(NS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282347293 WEXSIQKDNRVZKM-JOCHJYFZSA-N 481.424 2.449 30 10 JEEE CC(C)(C)OC(=O)NCCN(CC1CC1)S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282350208 KDEWPUPSBFLRTQ-UHFFFAOYSA-N 481.424 2.306 30 10 JEEE CC1(C)OB(c2cc(S(=O)(=O)N3CC[C@@](C)(NC(=O)C(F)(F)F)C3)ccc2Cl)OC1(C)C 2282501336 WAFRSJPRWTXXGM-GOSISDBHSA-N 496.744 2.471 30 10 JEEE Cn1cc(C(=O)N[C@@H]2C[C@@H](CNC(=O)OC(C)(C)C)C2(C)C)nc1B1OC(C)(C)C(C)(C)O1 2282554132 YTSMADUWUMFDDZ-GOEBONIOSA-N 462.400 2.389 30 10 JEEE Cn1cc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C3(CCC3)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2282576657 UBBRAIICGWDNBE-OAHLLOKOSA-N 460.384 2.381 30 10 JEEE Cn1cc(C(=O)NCC[C@H](NC(=O)OC(C)(C)C)C(F)(F)F)c(B2OC(C)(C)C(C)(C)O2)n1 2282577416 DVQSPMUWTRYRLD-ZDUSSCGKSA-N 476.305 2.295 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CN(C(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)[C@]2(CCOC2)C1 2282629308 UHLLMOMHZVUMFY-JLCFBVMHSA-N 479.408 2.341 30 10 JEEE C[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1O 2282972309 NXPLZCYBQDSAQF-IUODEOHRSA-N 456.270 2.363 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)C2 2283063038 VEORZVGAQFNYHC-JYJNAYRXSA-N 458.368 2.294 30 10 JEEE Cc1nc(NC(=O)[C@H]2COC[C@H](C)N2C(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2283970013 KUADDJBKTZHEEY-XJKSGUPXSA-N 462.356 2.047 30 10 JEEE C[C@H](NC(=O)[C@@H]1CC[C@@H](O)CN1C(=O)OC(C)(C)C)c1nscc1B1OC(C)(C)C(C)(C)O1 2284062991 OINFBZJSLWDQOR-LZWOXQAQSA-N 481.424 2.380 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1S(=O)(=O)N1CCC(NC(=O)C(F)(F)F)CC1 2286114556 UIJNZCQUTZCIMN-UHFFFAOYSA-N 476.326 2.126 30 10 JEEE COCC1(CNC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2337342865 KVWCHFIGOMFARZ-UHFFFAOYSA-N 467.397 2.056 30 10 JEEE COc1ccc(NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)O)cc1B1OC(C)(C)C(C)(C)O1 2339735019 DAPVYIMZCQVLFP-CXAGYDPISA-N 450.341 2.207 30 10 JEEE CO[C@@H](CNC(=O)OC(C)(C)C)CNC(=O)c1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2339941806 HXTIKDAVAIONIU-OAHLLOKOSA-N 452.332 2.394 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2C[C@@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)n1 2359267596 QUMCKPGKPZQDJI-HYVNUMGLSA-N 460.384 2.330 30 10 JEEE O=C(c1ccc(/N=C2\N[C@H]3CS(=O)(=O)C[C@H]3S2)cc1)N1CCN(c2ccccc2)CC1 9524421 NOAGRCLNIVSRSG-VQTJNVASSA-N 456.593 2.139 30 10 JEEE COc1cc(/C=N/Nc2nc(SCC(=O)Nc3ccc4c(c3)OCO4)n[nH]2)c([N+](=O)[O-])cc1O 59040014 PYHCJVGNYDNWFF-IFRROFPPSA-N 487.454 2.333 30 10 JEEE N#Cc1cccnc1N1CCN(C(=O)[C@H]2CCN(c3cccc(Br)c3)C2=O)CC1 59367878 KAJARRQUIONNSC-GOSISDBHSA-N 454.328 2.417 30 10 JEEE CCOC(=O)C1CCN(c2nc3c(c(=O)[nH]2)[C@@H](c2ccc(Cl)cc2)[C@H](C#N)C(=O)N3)CC1 72444719 YRVBCZSSNBBHQS-HOTGVXAUSA-N 455.902 2.427 30 10 JEEE CCNC(=O)CCSc1nnc(N/N=C/c2c(C)nn(-c3ccccc3)c2N2CCOCC2)[nH]1 253574162 SGCIKMBMNPYDDZ-BUVRLJJBSA-N 483.602 2.200 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)C[S@](=O)CC(=O)N2CCc3ccccc3C2)nc1C 526889751 RLBZWUVRZMOSHI-HKBQPEDESA-N 461.565 2.066 30 10 JEEE C=CCNC(=O)Cn1c(=CC(=O)c2ccccc2C)sc(=Cc2ccc3c(c2)CCCN3C)c1=O 748096003 NRSNOFPHQPAZSA-UHFFFAOYSA-N 487.625 2.395 30 10 JEEE Cn1cc([C@@H](NC(=O)C#CCNC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)cn1 757471723 UOLYIOPUSVVPJO-HSZRJFAPSA-N 458.474 2.204 30 10 JEEE CCOc1ccc(C=NNc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2N)cc1 1084258817 XCWDVOGJKONXEM-UHFFFAOYSA-N 456.488 2.476 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1CC[C@H](N1CCOCC1)C(F)(F)F 1286271932 WTRWHPJSGLQXDT-WBVHZDCISA-N 458.529 2.308 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H](OCC)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1286389905 SJJSERZEDSIRES-NHCUHLMSSA-N 468.583 2.083 30 10 JEEE C#CCN(c1nnc(CCCc2ccccc2)n1CCn1cc(C)cn1)[C@H]1CCS(=O)(=O)C1 1286390435 AUBKAFANECNOAG-QFIPXVFZSA-N 466.611 2.285 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@](C)(O)C2CCCCC2)CC1 1286469768 KUNJZYSCAVJAEO-XMMPIXPASA-N 451.575 2.012 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2C[C@H](CC)OC)CC1 1286489067 DWMWIBDOQNWGRW-IBGZPJMESA-N 453.543 2.107 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@H](c2c(F)cccc2F)N(C)C)CC1 1286492086 GNYIQFWIWATDPW-HXUWFJFHSA-N 474.556 2.362 30 10 JEEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 1286692754 HMXBXPTUSHNDAQ-CRAIPNDOSA-N 479.582 2.394 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CCC[C@H](CNC(C)=O)C1 1286781919 DQGOEIZQFCNBFO-CQSZACIVSA-N 481.420 2.424 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 1286820782 RSUSLXDQCSOWQL-MSOLQXFVSA-N 483.635 2.219 30 10 JEEE CC(C)OC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(CS(C)(=O)=O)CC2)CCO1 1288352402 DDGYGJXKCZDFAP-HXUWFJFHSA-N 473.599 2.272 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1Cc1cccnc1OCC(F)(F)F 1288802031 BBTKZMCLIBESCN-CYBMUJFWSA-N 487.508 2.013 30 10 JEEE COc1ccccc1[C@H](CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)N1CCCC1 1290020951 DNCDHWXKJLZYQP-UTKZUKDTSA-N 456.568 2.187 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCN1CCN(C)C(C)(C)C1 1300270093 BCILCXUBQNLGER-GOSISDBHSA-N 472.037 2.345 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2CCN2CCN(C)C(C)(C)C2)c1 1300333045 TUJVPJODFGGNOZ-UHFFFAOYSA-N 486.624 2.422 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1Cc1cc(C)cc(OC)c1)[C@H]1CCS(=O)(=O)C1 1300487818 MJKNHBTUMPNYQT-IBGZPJMESA-N 453.568 2.276 30 10 JEEE C#CCN(c1nnc(COCC)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1300504409 NIXWFDWSQAJLBS-AQNXPRMDSA-N 465.664 2.198 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(c2ccccc2OC)CCC1 1300556681 LNUIUAVEYXGZRT-IBGZPJMESA-N 469.611 2.482 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccccc3Br)n2CC(C)(C)C(=O)NC)CC1 1300692628 KHDCKCQKICJVDY-UHFFFAOYSA-N 459.392 2.235 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CC2CN(C(=O)OC(C)(C)C)C2)CC1 1300719483 CORLDJGAIDVWCQ-UHFFFAOYSA-N 479.585 2.173 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@](C)(O)CCC(C)C)CC1 1300726095 HSOFSUGBGASNIE-RUZDIDTESA-N 452.603 2.417 30 10 JEEE C#CCSCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1300743051 GIQQTJJQEZOHME-KRWDZBQOSA-N 456.597 2.325 30 10 JEEE C=C(C)COCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1300980040 CLGMFBFBVSGURC-NRFANRHFSA-N 498.584 2.322 30 10 JEEE C=CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1)c1ccccc1 1301164210 QLFPUYMKCAHSGF-AZUAARDMSA-N 474.631 2.246 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C2CCC2)cc1 1301525002 FLRUPTVVSWBFFU-FQEVSTJZSA-N 461.588 2.213 30 10 JEEE CC(C)C(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2([S@@](C)=O)CC2)CC1 1302393057 CHFLYVQEAPHXCV-JGCGQSQUSA-N 454.600 2.423 30 10 JEEE C[C@H]1CN(CCCn2c(N3CCN(c4nccnc4C#N)C[C@H]3C)nnc2C(C)(C)C)C[C@@H](C)O1 1305220870 HIPCAHDQWFJZLO-AQNXPRMDSA-N 481.649 2.452 30 10 JEEE CS(=O)(=O)NC[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCSC2)C1 1316359851 FSZVLNOODFOBJH-RTBURBONSA-N 490.655 2.247 30 10 JEEE N#C[C@@]1(F)CCN(c2nnc(C(=O)Nc3ccccn3)n2CCC(=O)N2CCCCCC2)C1 1316526990 GNLHGLIHOCZMCW-QFIPXVFZSA-N 454.510 2.160 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@]1(O)CCS(=O)(=O)C1 1358875442 PXLUBNKZJVAGLM-IVZQSRNASA-N 471.608 2.385 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCOC[C@@H]1CCOC1 1358889599 DNBGMCGSOGYHTE-UXHICEINSA-N 453.591 2.353 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CC(c2ccccc2)C1 1358890481 PZYGIBPBQLRRER-CZOVOBHWSA-N 457.600 2.263 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@](C)(O)[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1358958977 ZIILKSPNYPHEAP-WVBUVRCRSA-N 475.571 2.277 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2C[C@H](CC)NC(=O)OC(C)(C)C)CC1 1359036932 OFFLFGRSIINWJP-IBGZPJMESA-N 453.591 2.322 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCN(C)[C@H](C)CC)CC1 1359043482 VLHIRKKTZQCMKA-LJQANCHMSA-N 480.613 2.412 30 10 JEEE C=C(C)COCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCCN(CCC)C(=O)C1 1359130938 CJFKAQQEWGATIX-UHFFFAOYSA-N 479.585 2.233 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@](C)(O)C2CC2)C1 1359314886 JNXFUXUXWUEHDE-AUSIDOKSSA-N 475.615 2.138 30 10 JEEE C=CCS(=O)(=O)CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCN(C(C)=O)CC1 1359335652 QTGGNSKZLRRKSN-UHFFFAOYSA-N 484.047 2.493 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2cc(C(N)=O)ccc2OCC(F)F)ccc1F 1436583276 RGLZXJQJJYVORE-UHFFFAOYSA-N 457.430 2.285 30 10 JEEE C#CCN1CCC[C@H](NC(=O)NCc2ccccc2CN2C(=O)NC3(CCCCC3)C2=O)C1 1477836789 DPYBFBIXLOJQEH-NRFANRHFSA-N 451.571 2.338 30 10 JEEE COC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1503909697 FTXYKYSLSULDBO-FQEVSTJZSA-N 488.614 2.077 30 10 JEEE COc1ccc(C(C)(C)Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@@H](C)C#N)cc1 1504143937 BCDXCSTUMWYONF-PXNSSMCTSA-N 490.630 2.193 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](OC)C(C)(C)C)c1 1507545706 ADGVMNHLYXWOQM-VQIMIIECSA-N 490.630 2.006 30 10 JEEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1507589771 ZVFJUTOMQIRSOA-OALUTQOASA-N 487.605 2.040 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Cc1cccs1 1507671741 PBARHPCWZQLTMD-ICSRJNTNSA-N 475.640 2.014 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(F)c(Cl)c2)CC1 1507733734 KGZFYJWBSSAPRC-UHFFFAOYSA-N 460.941 2.223 30 10 JEEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1507756740 QRMKJHNDIIOZOD-JOCHJYFZSA-N 468.671 2.460 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)C[C@@H](C)C(=O)NC 1507798294 GWSUJMSWRGSKHK-QINHECLXSA-N 465.558 2.393 30 10 JEEE C=C(C)COCCn1c(-c2nnc(O)c3ccccc23)nnc1N1C[C@@H](COC)O[C@H](C)C1 1507842818 CQZLIGOQFLSUDI-SJORKVTESA-N 454.531 2.427 30 10 JEEE C=CCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1507959363 MGQSQXOZTQGHDW-JOCHJYFZSA-N 463.586 2.152 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1ccc(F)cc1)N(C)C)C1CC1 1507992849 JUJNYYNPYMRETC-SFTDATJTSA-N 492.621 2.208 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C)no1 1508003049 RLTDAOHGTVMMRZ-FQEVSTJZSA-N 472.571 2.148 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC=CCO1 1508003264 WJSTXPKQCBRWIT-LEWJYISDSA-N 473.599 2.149 30 10 JEEE CC(C)CO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCS(=O)(=O)C2)C1 1509468810 GBGDBYYIKQPQGO-TZIWHRDSSA-N 473.599 2.415 30 10 JEEE CC(C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CSCCS2)CC1 1509760762 CAKVQWZILPHUHK-HXUWFJFHSA-N 485.683 2.312 30 10 JEEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2nc(C)cs2)CC1 1515098728 DRNYDIVVRBZIIK-UHFFFAOYSA-N 450.572 2.435 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCOC[C@H]1C 1519151113 HZVUWQIKJDCZRZ-BVYCBKJFSA-N 487.626 2.377 30 10 JEEE CS(=O)(=O)c1cccc(-c2nnc(N3CCC(CC#N)CC3)n2CCNC(=O)C2CC2)c1 1519506424 HPNVLTLSCNKLIC-UHFFFAOYSA-N 456.572 2.005 30 10 JEEE C=CCS(=O)(=O)CCNC(=O)[C@@H]1CCCN(C(=O)c2ccc(Br)cc2C)C1 1534590816 ALLQRHZUHLEFQL-OAHLLOKOSA-N 457.390 2.327 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1Cc1ccccc1OCCN(C)C 1539005307 YVOZDMUTMWZNJA-KRWDZBQOSA-N 450.543 2.452 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CCc1cc(F)cc(F)c1)[C@H]1CCS(=O)(=O)C1 1539207115 ZJHCUKKCNHRHIL-REWPJTCUSA-N 494.564 2.078 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1Cc1ccc(NC(=O)NC(C)C)cc1)[C@H]1CCS(=O)(=O)C1 1539224274 DUZWPIAWHBHVAF-NRFANRHFSA-N 484.626 2.436 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CC(C)(C)N1CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1539225624 PRVXFOBOWGCJTK-UNMCSNQZSA-N 484.670 2.401 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@@H](C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 1539229632 FSCKGVCSROPHOO-PMACEKPBSA-N 489.617 2.355 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(F)cc2Br)n1CCCn1cc(CO)nn1 1539251128 YNTIAIQNHQBLQO-UHFFFAOYSA-N 472.322 2.094 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(NC(N)=O)cc1 1539267278 YHNAWELUBAYPTG-FQEVSTJZSA-N 493.568 2.198 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCN1CCSCC1 1539284456 NXNNXHXQUACFGX-KDURUIRLSA-N 458.632 2.170 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3CC)n2CC2(O)CCN(C(C)C)CC2)CC1 1539461189 BDPOEQSAMWWMAE-UHFFFAOYSA-N 480.657 2.410 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 1539613168 WGZMBLAOXJQVMT-ZJBJCVSYSA-N 485.585 2.468 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@](O)(c2ccc(F)cc2)C1 1539614831 DEDBSVPAZVVAIM-TVLQYADYSA-N 493.605 2.107 30 10 JEEE C=C(C)COCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCS(=O)CC1 1539728962 MXCWBMDJBHRPKQ-UHFFFAOYSA-N 450.561 2.132 30 10 JEEE C=C(C)COCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1539735482 OJKJIDHCKMVBQN-LJQANCHMSA-N 458.588 2.175 30 10 JEEE C=C(C)COCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1539742335 AZWRZYKASKUZLB-HXUWFJFHSA-N 456.572 2.347 30 10 JEEE C=C(Cl)Cn1c(N2CCN(C(=O)N3CCCC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1539821191 WOVREWGTUVCOEZ-NRFANRHFSA-N 452.987 2.409 30 10 JEEE C=CCN(c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCOC[C@H]1C)C1CC1 1540108060 GRVLFJWCFXTGJS-QUCCMNQESA-N 476.622 2.462 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCCN(C(=O)c2cccc(F)c2)CC1 1540907407 VWIBFLXKXNCMFK-UHFFFAOYSA-N 475.590 2.323 30 10 JEEE C=CCSCCn1c(Cc2ccccc2OC)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1540918094 JPMPDUISCJAHAL-UHFFFAOYSA-N 470.599 2.317 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1C[C@@H]1CCN(c2ccccc2F)C1 1541920733 CKLKRSQXSIOIKP-SJLPKXTDSA-N 475.594 2.294 30 10 JEEE CCn1cc([C@H]2CN(c3nnc(COc4ccc(C#N)cc4)n3C[C@H](C)N(C)C)CCO2)cn1 1547609983 HVLFYCGGSVAAMW-PGRDOPGGSA-N 464.574 2.473 30 10 JEEE CCOC1CC(O)(Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@H](C)[C@H](C)S(C)(=O)=O)C1 1548039435 HTVQJYDEJWYSDA-NZOHGSJQSA-N 461.588 2.005 30 10 JEEE CN(C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1)C1CCCCC1 1552638959 CVFBVZVCECNBTR-UHFFFAOYSA-N 499.641 2.126 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)N2C[C@@H]3Oc4c(F)ccc(F)c4O[C@@H]3C2)ccc1F 1557108992 MWBALEMRLDGAII-IYBDPMFKSA-N 454.426 2.233 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1587633228 SKCASKZFMJVTJD-XGIGFIBQSA-N 497.600 2.377 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1C[C@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1587683276 GHLSWTLRJPDTHS-PXQJOHHUSA-N 489.617 2.484 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1CC(C)(C)COC)[C@H]1CCS(=O)(=O)C1 1588035205 PZHJZFMJWXISHI-INIZCTEOSA-N 498.447 2.345 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1CC(C)(C)COC)[C@H]1CCS(=O)(=O)C1 1588045741 PTBKCFJZZTWNIN-SFHVURJKSA-N 474.583 2.016 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OCCCC)c(OC)c3)n2C[C@]2(O)CCO[C@@H]2C)CC1 1588791331 SLLKZBUGSOZNFR-FQRUVTKNSA-N 483.613 2.428 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccnc(N2CCCCC2)c1 1589149799 ABDGLDDHKTXPRA-WZONZLPQSA-N 471.631 2.314 30 10 JEEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCn2c(nnc2-c2ccccc2)C1 1594680173 OENJGEUVYMEDAG-MRXNPFEDSA-N 456.576 2.133 30 10 JEEE C=CCCOCCn1c(Cc2cccnc2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1594819816 MOHYQWLIOAUUJU-URXFXBBRSA-N 481.645 2.236 30 10 JEEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1595475165 BDSCWFFVHRPALJ-FGZHOGPDSA-N 452.603 2.423 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cc(OC)c(OC)c(OC)c2)C1 1595714372 NOFQMXYPMOPFOL-DLBZAZTESA-N 457.531 2.085 30 10 JEEE CC(=O)N(C)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)C(C)(C)C)CC1 1595933032 CAJBQSDEVNOVSY-UHFFFAOYSA-N 451.575 2.426 30 10 JEEE C=CCS(=O)(=O)CCNC(=O)c1ccc(NS(=O)(=O)c2ccc(C(C)=O)cc2)cc1 1597217297 TZWUNYVIHLLAQW-UHFFFAOYSA-N 450.538 2.021 30 10 JEEE Cc1ncsc1CCn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1611852500 CCUSZAVHBPDKSI-UHFFFAOYSA-N 471.612 2.296 30 10 JEEE CCN(CC)C(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCOC[C@H]2C)CC1 1615328604 HCEBKXUPEKSIFF-NFBKMPQASA-N 479.629 2.480 30 10 JEEE CCn1c(CN2CC[C@@H](Oc3ccc(C#N)cn3)C2)nc2cc(S(=O)(=O)N(C)C)ccc21 1618233996 GJYVGJIUUOAJEM-QGZVFWFLSA-N 454.556 2.226 30 10 JEEE COc1ccc(OC(F)F)c(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@@H](C)C#N)c1 1619305444 HARLYZYVZJHBJX-KBPBESRZSA-N 469.514 2.434 30 10 JEEE Cc1cc(C)n(-c2ccc(CCNC(=O)[C@H](C)NS(=O)(=O)c3ccc(C#N)cc3)cc2)n1 1624543214 ACXUEMXBDXHZNM-SFHVURJKSA-N 451.552 2.387 30 10 JEEE C#CCN(CC(=O)OC(C)(C)C)[C@@H](C)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 1643726089 VMVFWJGFCICTGG-AWEZNQCLSA-N 457.980 2.194 30 10 JEEE Cc1nc(C#N)c(N2CCC(C(=O)N(C)Cc3nnc4n3C[C@@H](C(F)(F)F)CC4)CC2)o1 1644737148 BVSWRNGAUWQEMW-AWEZNQCLSA-N 451.453 2.446 30 10 JEEE C#CCN(CC(=O)NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)C(C)(C)C 1655636815 GOGQUUJLGQQFEP-PDGQHHTCSA-N 459.593 2.466 30 10 JEEE C=C[C@H](COC)NC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1 1658029432 UWMKXQRBKYZQSR-QGZVFWFLSA-N 452.577 2.020 30 10 JEEE CN(C)CCOc1cc(CNC(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)ccn1 1685955457 GFCWXUGWUXZFDL-UHFFFAOYSA-N 459.554 2.474 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@](C)(O)c1cccs1)[C@H]1CCS(=O)(=O)C1 1689984457 PRJJXKUGEBWNFZ-WMZHIEFXSA-N 481.603 2.413 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@]1(C)CCCO1)[C@@H]1CCS(=O)(=O)C1 1689984907 XWAZPMUKRUJBQN-HXOBKFHXSA-N 474.583 2.158 30 10 JEEE C#CCN(c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCC)[C@H]1CCS(=O)(=O)C1 1689988115 JMOOHIIZIUJJSS-KRWDZBQOSA-N 468.583 2.102 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H](c1ccco1)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1689998337 JPMSGUQUDCGFIQ-SVFBPWRDSA-N 475.615 2.432 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccccc2OC)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1690028444 WRZCGZBGANSMGI-LEWJYISDSA-N 497.621 2.143 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccsc1Br 1690033131 RAWZRQZNITYAQW-ZDUSSCGKSA-N 470.418 2.224 30 10 JEEE C#CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCOC[C@@H]1C 1690175380 VTFUTJXMQVWTEM-DLBZAZTESA-N 451.593 2.178 30 10 JEEE C=CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CCN1CCOCC1 1690461100 TZOHTVVGIYJRFW-UHFFFAOYSA-N 451.575 2.317 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 1690655206 KSRPVBWKJYTLOE-UNMCSNQZSA-N 479.629 2.306 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@H](NC(C)=O)C1 1690719773 SUVACJYXCNJTRC-INIZCTEOSA-N 469.970 2.443 30 10 JEEE CC(C)CN1CCC[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCNS(C)(=O)=O)C1 1692418034 BRKJOKPKBKCMRZ-HXUWFJFHSA-N 473.647 2.170 30 10 JEEE CC(C)N(CCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C)C(C)C 1693745626 GSVJJDTZHWLLGL-VQTJNVASSA-N 494.648 2.115 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1ccc(F)c(F)c1)[C@H]1CCS(=O)(=O)C1 1705565400 ICKAEPZZPVSYIS-IRXDYDNUSA-N 450.511 2.125 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(C)cc2OCCOC)CC1 1705632024 FWNSBTXVKFLBKF-UHFFFAOYSA-N 489.580 2.063 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1705896467 NQQXAEKXWUVWEX-LSDHHAIUSA-N 495.447 2.228 30 10 JEEE CC(=O)NC1CCC(N(C)c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)C(C)C)CC1 1706013534 BIIXEIPOLBJRLN-UHFFFAOYSA-N 451.575 2.472 30 10 JEEE CCS(=O)(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[S@@](=O)C(C)(C)C)CC1 1710888905 HUAWUMBDPWEQBE-JGCGQSQUSA-N 492.671 2.272 30 10 JEEE C#CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1722308045 DWTIQDRLQYVKJF-GOSISDBHSA-N 463.991 2.288 30 10 JEEE C#CCCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(NS(=O)(=O)CC)CC1 1722312492 GWQIQYDVTYRYSF-UHFFFAOYSA-N 459.572 2.385 30 10 JEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 1722317967 ZEWVZFOCJBSEMN-SJORKVTESA-N 462.576 2.068 30 10 JEEE C#CCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC(NS(C)(=O)=O)CC1 1722326081 OFCVWPCWWUNFDA-UHFFFAOYSA-N 453.572 2.267 30 10 JEEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1CCCCn1cc(Br)cn1 1722345054 WMUPZFXDRSQHCU-IBGZPJMESA-N 451.369 2.439 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC1(C)CC1)[C@H]1CCS(=O)(=O)C1 1722358535 CRLGUELRIXTHTG-KRWDZBQOSA-N 474.583 2.398 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCN(C)CC(F)(F)F)CC1 1722444810 GMYOWCGIMVTMFH-UHFFFAOYSA-N 492.502 2.134 30 10 JEEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(NC(=O)CCC)CC1 1722453737 ASCOCENTADCALL-UHFFFAOYSA-N 479.614 2.172 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC[C@@H]1NC(=O)NC1=O 1722476124 YXPXVZALTQFJNM-FUMQJTLXSA-N 499.616 2.373 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)NC)CC1 1722494425 MJTXKDQMUBCZPE-HKUYNNGSSA-N 455.519 2.296 30 10 JEEE C=CCCOCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1722624242 XQNOXDCHPKIDAJ-NRFANRHFSA-N 483.573 2.189 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2nc(C(F)(F)F)cs2)C1 1722717753 DAZKODOBTMGGOT-CHWSQXEVSA-N 477.534 2.485 30 10 JEEE CCO[C@]1(c2nnc(N(C)[C@H](C)CC#N)n2Cc2cccc(CS(C)(=O)=O)c2)CCOC1 1728753011 BWKNPAPEUUXAFU-VGOFRKELSA-N 461.588 2.261 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(F)cc1Cl 1740548810 CBYHLRRDKHIJOI-RDTXWAMCSA-N 469.970 2.104 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1Cc1cnn(C)c1C)[C@H]1CCS(=O)(=O)C1 1740616626 DJRMHPFIAKATGM-HKUYNNGSSA-N 486.573 2.274 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@](C)(O)c1ccco1)[C@@H]1CCS(=O)(=O)C1 1740627740 KGIJXAXYWZGHKB-JPYJTQIMSA-N 488.541 2.124 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1Cc1csc([C@@H](C)OC)n1)[C@@H]1CCS(=O)(=O)C1 1740627818 SOSHVDTURQMQNP-NVXWUHKLSA-N 451.618 2.316 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCOC3)n2C[C@H]2C[C@H](C)O[C@H](C)C2)n1 1740689299 UVWRYZLVAOWCCK-WOZUAGRISA-N 456.591 2.468 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCSCC#C)CC1 1740703075 FMTYWYFGEKPUEP-UHFFFAOYSA-N 467.595 2.295 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CC(C)(C)N2CCC(OC)CC2)CC1 1740708282 KAJFUZOVDFJSOU-UHFFFAOYSA-N 456.635 2.086 30 10 JEEE C=C(Br)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN(CCOC)C(=O)C1 1740747392 HQDAWOCICAQQQD-UHFFFAOYSA-N 478.391 2.276 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCS(=O)(=O)C1 1740769234 HNUACFBWXDFHRI-KRWDZBQOSA-N 481.644 2.033 30 10 JEEE C=CCn1c([C@@H]2CCCOC2)nnc1N1C[C@H](NC(=O)OC(C)(C)C)C2(CCS(=O)(=O)CC2)C1 1740947092 OKTPICJXKYNGFE-MSOLQXFVSA-N 495.646 2.266 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCCO[C@H](c2ccccc2)C1 1740950988 OSACNIBYYHFOKJ-FQEVSTJZSA-N 454.575 2.467 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1740965470 PYIFVKZGYGYLQM-MOPGFXCFSA-N 486.642 2.038 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccsc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1740983925 SLTWPKCSUHAFQC-SGRLSNSRSA-N 454.556 2.238 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CC[C@](O)(c2ccc(F)cc2)C1 1740991507 XYPMDIOZEVDSDG-SIKLNZKXSA-N 464.563 2.358 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 1740992318 DPBKTBSGKZRQKJ-QGZVFWFLSA-N 473.521 2.412 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCCN(C(=O)c2ccsc2)CC1 1740995525 OPFBOKIFLMKXLH-GOSISDBHSA-N 479.628 2.144 30 10 JEEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCCN2CCC[C@@H]2CO)[C@@H](C)C1 1741055930 VBKCTGXDIUSLBG-NZQKXSOJSA-N 495.628 2.023 30 10 JEEE CC(=O)N1CCN(CCn2c(-c3ccc(OCCC(C)C)cc3)nnc2N2CCO[C@H](C#N)C2)CC1 1741056245 DPMVABFTNOPRGP-XMMPIXPASA-N 495.628 2.263 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@]1(C)COCCO1 1748663808 AHBUCAXVPGSAJG-OSPHWJPCSA-N 450.543 2.328 30 10 JEEE C#CCN(c1nnc(C(C)C)n1Cc1cc(F)ccc1N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1748802219 NNDNOWXYOGCCOR-FQEVSTJZSA-N 475.590 2.052 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1ccc(OCC)cc1)[C@@H]1CCS(=O)(=O)C1 1748817366 JPCGEZIASPHORA-VQTJNVASSA-N 458.584 2.246 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CSCCS1 1748959981 COBJMVCVJQZUCE-MRXNPFEDSA-N 470.624 2.127 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc4c(s3)CC[C@H](C)C4)n2CC(=O)N(C)C)CC1 1749003380 HNOLJCQTYOWQGD-INIZCTEOSA-N 468.627 2.185 30 10 JEEE COc1ccccc1O[C@H](C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(CC#N)CC1 1749074414 GKOLBFKRLXARAA-IAGOWNOFSA-N 476.603 2.494 30 10 JEEE C=CCN(C)c1nnc(Cc2cn3ccccc3n2)n1Cc1ccccc1S(=O)(=O)N(C)C 1749496194 KHZUZAZOEQYXBO-UHFFFAOYSA-N 465.583 2.437 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCO[C@H](CC)C1 1749726173 YXLGERNJRRUNGH-QGZVFWFLSA-N 450.561 2.178 30 10 JEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCN2[C@@H](C)CC[C@H]2C)CC1 1749755340 FXSPLOYDSRRKBQ-QHAWAJNXSA-N 496.747 2.094 30 10 JEEE C=CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(OCC(N)=O)CC1 1749756168 UCPXJROZIJLOJS-LJQANCHMSA-N 459.572 2.181 30 10 JEEE Cc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3c(C#N)c(C)nn3C)CC2)s1 1751512443 AEMYRJYZOVCIKS-UHFFFAOYSA-N 467.603 2.075 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1Cc1cccnc1OCC)[C@@H]1CCS(=O)(=O)C1 1760185189 RTQUSPVNHDJBBX-LJQANCHMSA-N 481.578 2.422 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CCN(C(C)C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1760190955 XQKFHSWIARJOPG-OAQYLSRUSA-N 458.632 2.009 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@]1(O)CCO[C@@H]1C 1760232776 LDGUBGFIXFPQBL-OSPHWJPCSA-N 450.543 2.064 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OC)nc1 1760240209 KGCPBZYXIMRDEJ-MRXNPFEDSA-N 472.546 2.119 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2CCn2cc(Br)cn2)CC1 1760254929 QANBJHKIQCJVDF-UHFFFAOYSA-N 470.375 2.368 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCS(=O)(=O)CC=C)CC1 1760256740 JTFCCKKOQBNCHZ-GOSISDBHSA-N 478.018 2.428 30 10 JEEE C#CCN1CCN(c2nnc(CCCc3ccccc3)n2CC2(CS(C)(=O)=O)CC2)CC1 1760263058 MDGGSFOMWAPEII-UHFFFAOYSA-N 455.628 2.033 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2nnc(CC)s2)CC1 1760267524 PIQOYXZNTLIFFV-UHFFFAOYSA-N 470.990 2.422 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H]2CCCN(C(C)C)C2)CC1 1760269433 ILDKPUFSKGOFPH-IFMALSPDSA-N 456.635 2.258 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H]2C[C@@H]2C)CC1 1760269651 NLIKLZYQMHFELY-SXLOBPIMSA-N 486.617 2.208 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CCSC 1760322275 QENLVMTZQXVGOX-MANSERQUSA-N 487.692 2.170 30 10 JEEE C=C(C)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1760344465 SHXJGHKPAJCYEI-SFHVURJKSA-N 454.575 2.329 30 10 JEEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC(F)(F)F)CC1 1760450767 RTHCWNZUGVHWHV-KRWDZBQOSA-N 495.568 2.373 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N(CC)C[C@@H]1CCCO1 1760515457 OLTXKZPNZRCSTC-HNNXBMFYSA-N 451.369 2.354 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@@H](c2ccnn2C)C1 1760518056 HDQXHHPEIOCMJF-GOSISDBHSA-N 465.558 2.382 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCN(C(=O)OC)[C@@H](C)C2)cc1 1760529682 JTKLGXYOPBFHME-PKOBYXMFSA-N 489.598 2.070 30 10 JEEE CC(=O)NC1CCC(N(C)c2nnc(-c3cccc(C#N)c3)n2CCN2CCOC[C@H]2C)CC1 1760633475 GFBXFLGPHRCDEW-WDGBRCNXSA-N 465.602 2.421 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)C1 1760777897 CZTAARLGKDRIKI-JKSBSHDWSA-N 496.609 2.269 30 10 JEEE CCn1cccc(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@@H](C)CS(=O)(=O)CC)c1=O 1765337403 GHSBSBKSBGCJGW-KRWDZBQOSA-N 468.583 2.306 30 10 JEEE COCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1769187186 GIONJSLGTVCIRD-UHFFFAOYSA-N 465.602 2.267 30 10 JEEE N#Cc1c(NC(=O)CN2CCN(c3nnc(Cc4ccccc4)c(O)n3)CC2)sc2c1CCC2 1859430715 DTWCNZUPBQJKMN-UHFFFAOYSA-N 475.578 2.351 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@H]2c2ccc3c(c2)OCCO3)cc1OC 1862574181 MYDAMLLRHNZAGZ-QFIPXVFZSA-N 482.489 2.189 30 10 JEEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccc(F)cc1F 1862607412 NUMZJIDUZDOESI-FQEVSTJZSA-N 458.417 2.450 30 10 JEEE O=C(O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CCN2CCOCC2)cc1 1862628822 HSKXZIVGMIXAMA-NRFANRHFSA-N 480.473 2.024 30 10 JEEE CC(=O)Nc1cccc(C(=O)Nc2c(C#N)nnn2Cc2cc([N+](=O)[O-])cc3c2OCOC3)c1 1870108095 PDXVLCTUWKILJW-UHFFFAOYSA-N 463.410 2.183 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)COc2nonc2CC(=O)NCCCCC)nc1C 1872649346 VGJBAOZHEXVPKE-UHFFFAOYSA-N 451.505 2.044 30 10 JEEE C=CCn1c(C(=O)N2CCOCC2)cc2c(N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)ncnc21 1873560663 HWLNEHKKEWNGFT-UHFFFAOYSA-N 477.525 2.325 30 10 JEEE COCCc1nnc(SCC(=O)NCc2ccco2)n1/N=C/c1cc(OC)c(OC)c(OC)c1 1874470368 AYMHMPKZOJARAE-WYMPLXKRSA-N 489.554 2.377 30 10 JEEE COCCc1nnc(SCC(=O)Nc2nccs2)n1/N=C/c1cc(OC)c(O)c(OC)c1 1874470417 DFIHJLGQGHMYSD-UFFVCSGVSA-N 478.556 2.259 30 10 JEEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)c3cc(-c4ccccn4)nn3C)CC2)CC1 1889495115 FEDYFDGFQYTCHR-UHFFFAOYSA-N 464.614 2.133 30 10 JEEE Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CC[C@@H](Oc4cc(C#N)ccn4)C3)C2)cc1 1890143616 CLSRZNJDAOVNDA-WOJBJXKFSA-N 454.552 2.342 30 10 JEEE COCCn1c(C(=O)N2CCC[C@H](COc3cc(C#N)ccn3)C2)cc2c(=O)n3ccccc3nc21 1891678187 LFKQUXDJXZDWBP-IBGZPJMESA-N 486.532 2.493 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H](O)CCC(=O)NCCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2180969046 CFJHEVAQJJCFKE-IBGZPJMESA-N 462.396 2.310 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CC[C@H]1NC(=O)OCc1ccccc1 2255625086 MMBNUFKKBPZZPO-RBUKOAKNSA-N 468.363 2.389 30 10 JEEE C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1sccc1B1OC(C)(C)C(C)(C)O1 2256618078 OCYILFOSFSSXNN-XJKSGUPXSA-N 454.398 2.280 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)N(C)Cc1csc(B2OC(C)(C)C(C)(C)O2)c1 2256624667 OOOMFFGQPCHJBW-BBRMVZONSA-N 454.398 2.280 30 10 JEEE CC(C)(C)OC(=O)NOCCCNS(=O)(=O)Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2267470216 HCRQTJQCIGPYFB-UHFFFAOYSA-N 470.397 2.252 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H]1C(=O)Nc1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2268629963 DVEBXYBLHIXXAC-WMLDXEAASA-N 450.316 2.434 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1[C@@H](C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C1(F)F 2268641684 BYISDPCVOGTPEJ-RISCZKNCSA-N 473.351 2.465 30 10 JEEE CC(C)(C)OC(=O)NCC1(O)CC(C(=O)NCc2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2268642202 FNNWGTIXXUWHPU-UHFFFAOYSA-N 466.409 2.329 30 10 JEEE COc1ccc(S(=O)(=O)N(CC(=O)O)Cc2ccccc2)cc1B1OC(C)(C)C(C)(C)O1 2269030116 JQGWWIJVGSTVNC-UHFFFAOYSA-N 461.345 2.270 30 10 JEEE Cc1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@H](O)CNC(=O)OC(C)(C)C 2270436082 DGMMLPTUURQOCY-AWEZNQCLSA-N 452.332 2.049 30 10 JEEE Cc1c(C(=O)NCC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281796616 MTHZOTXYCVFEOW-MRXNPFEDSA-N 462.400 2.405 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H]2OCCN(C(=O)c3coc(B4OC(C)(C)C(C)(C)O4)c3)[C@@H]2C1 2281829596 AKVMQFYUDNQMOM-IAGOWNOFSA-N 462.352 2.429 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@H]2CCN(C(=O)c3sncc3B3OC(C)(C)C(C)(C)O3)C[C@@H]21 2282020462 YSIFNAAWZMMDBZ-HOTGVXAUSA-N 479.408 2.293 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@](F)(CNC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2282024514 CBZISDMIDITTQJ-QFIPXVFZSA-N 464.347 2.245 30 10 JEEE Cc1c(B2OC(C)(C)C(C)(C)O2)cccc1C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O 2282113780 UQLGXFDWPMOQDK-RTBURBONSA-N 460.380 2.394 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@@H](NC(=O)C(F)(F)F)C[C@@H]2C)n1 2282554537 FUQDZFVGICMIMA-UONOGXRCSA-N 455.286 2.361 30 10 JEEE Cc1nn(C)c(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C23CC3)c1B1OC(C)(C)C(C)(C)O1 2282566332 XCFOLZAUNISPBK-HNNXBMFYSA-N 460.384 2.300 30 10 JEEE 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]1C 2282581599 KBHXBTQAWICMIZ-GOEBONIOSA-N 462.400 2.403 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](NC(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)C[C@H]2C1 2282582649 YNYNNZDLPKWPOQ-JYJNAYRXSA-N 460.384 2.474 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2C(CNS(=O)(=O)c3ccccc3B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2282846235 GVUYHYWDMWMIPF-IRXDYDNUSA-N 478.420 2.377 30 10 JEEE CC(C)(C)OC(=O)NCCn1cnc(C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)c1 2283986432 FBJCERAITLOKLL-UHFFFAOYSA-N 457.340 2.354 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@H]2[C@@H](C(=O)NCc3ccccc3B3OC(C)(C)C(C)(C)O3)[C@H]21 2284036693 JCJYTZDUCPVGLY-IPMKNSEASA-N 458.364 2.236 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1 2285202410 CYLJIPPOMQXZOB-VWLOTQADSA-N 451.376 2.056 30 10 JEEE CN(C[C@@]1(O)CCCN(C(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C1)C(=O)OC(C)(C)C 2286339170 NJENFWBCGMOFKG-QFIPXVFZSA-N 481.424 2.276 30 10 JEEE CCOc1cc([C@H]2C(=C(O)c3cccc([N+](=O)[O-])c3)C(=O)C(=O)N2CCOCCO)ccc1O 2296940679 YVRZAGBVNCZWMH-FQEVSTJZSA-N 472.450 2.130 30 10 JEEE COC(=O)C[C@H](c1ccc(OC)c(CO)c1)c1c(O)ccc2c1OC(=CN1CCOCC1)C2=O 2297592062 FPQKYSXOXHYYLK-GOSISDBHSA-N 469.490 2.337 30 10 JEEE O=C1C(=O)N(CCN2CCOCC2)[C@@H](c2cccc([N+](=O)[O-])c2)C1=C(O)c1ccc(F)cc1 2297740606 CPOGGRUJMGTQGI-FQEVSTJZSA-N 455.442 2.488 30 10 JEEE COc1cccc(C=CC(=O)[C@@H]2CNCC[C@@H]2NC(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)c1 2318584525 GQCZNELOYRHJGF-USCONSEESA-N 461.518 2.057 30 10 JEEE CCOC(=O)c1ccc(CSc2nnc(CNC(C)=O)n2N=Cc2ccc(O)cc2O)o1 2330750163 SGRZTBWFRXWHJW-UHFFFAOYSA-N 459.484 2.270 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]1CNC(=O)c1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1O 2339425956 KXOGQZALIUQYPO-BLLLJJGKSA-N 450.316 2.474 30 10 JEEE COc1nc(N(CCO)CCCNC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2339788771 UUUNZXJWFRDFEU-UHFFFAOYSA-N 451.373 2.103 30 10 JEEE CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)N1C[C@@H]2[C@H](C1)[C@@H]2B1OC(C)(C)C(C)(C)O1 2355936531 FTUIFWHEBVBVFQ-MVJTYMMSSA-N 465.400 2.203 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@H](C(=O)N3CC[C@@](C)(B4OC(C)(C)C(C)(C)O4)C3)O[C@@H]2C1 2368439232 VGJIAUAYSXUOOM-MTNXABLMSA-N 466.384 2.475 30 10 JEEE CC(C)(C)OC(=O)N(CCO)CCC(=O)N1Cc2cccc(B3OC(C)(C)C(C)(C)O3)c2C1 2368520665 JTFPCUXWBYBZGZ-UHFFFAOYSA-N 460.380 2.448 30 10 JEEE Cc1cc(CNC(=O)C2(NC(=O)OC(C)(C)C)CC(O)C2)cc(B2OC(C)(C)C(C)(C)O2)c1 2369687075 ZOVKEJYKDYCNCQ-UHFFFAOYSA-N 460.380 2.329 30 10 JEEE COc1ccc(OC)c(CCNC(=O)c2cccc(/N=C3\N[C@H]4CS(=O)(=O)C[C@H]4S3)c2)c1 9530075 MHJSWNBUEOIGBM-AZUAARDMSA-N 475.592 2.166 30 10 JEEE C[C@H](NC(=O)CSc1nnc(N/N=C/c2cc([N+](=O)[O-])ccc2O)n1N)c1ccccc1 20527419 FCJJKJSQFWJVAP-SQWLXVSWSA-N 456.488 2.021 30 10 JEEE N#Cc1ccc(S(=O)(=O)N2CCC(c3ccn4ncc(C(=O)N5CCOCC5)c4c3)CC2)cc1 64761689 RPURPLSKHSJXBJ-UHFFFAOYSA-N 479.562 2.247 30 10 JEEE CCN1CCN(C(=O)/C(C#N)=c2/s/c(=C/c3cc(C)ccc3C)c(=O)n2-c2ccc(F)cc2)CC1 96793280 WIZOARQRRBQGJA-SVOCCOSCSA-N 490.604 2.322 30 10 JEEE Cc1ccc([C@H]2/C(=C(/O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN2CCOCC2)o1 111279355 DPNGPUSRVSFSSW-AGGMBTAESA-N 454.479 2.113 30 10 JEEE NS(=O)(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCO4)[C@@H]2c2ccncc2)cc1 170359150 YHUIUNZWMYFBQE-NRFANRHFSA-N 477.498 2.447 30 10 JEEE COC(=O)CCCn1c(=C(C#N)C(=O)c2ccc(F)cc2)sc(=Cc2cnn3ccccc23)c1=O 729670570 WJHYJBYIOLAEKD-UHFFFAOYSA-N 490.516 2.036 30 10 JEEE Cc1c(C#N)c(=O)n(CC(=O)N[C@@H](c2ccc3c(c2)OCCCO3)C(C)C)c(=O)n1C1CC1 1189921911 GSHBAXGGICIYJI-JOCHJYFZSA-N 452.511 2.200 30 10 JEEE C#Cc1cccc(N(CC(=O)NC)C(=O)[C@H]2CC(=O)N(CCOc3ccccc3Cl)C2)c1 1264841260 GVAWLEGYDRPTFK-SFHVURJKSA-N 453.926 2.328 30 10 JEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(C(=O)NC2CC2)cc1 1286349605 KTQKOYMAFMPMBH-IBGZPJMESA-N 455.584 2.122 30 10 JEEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC2(CC1)CNC(=O)C2 1286353440 WLDUIWDAKYMVBM-GOSISDBHSA-N 472.590 2.106 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCOc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1286390756 CCSIIUAENNAEFU-AZUAARDMSA-N 462.547 2.365 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@]1(O)CCCC1(C)C 1286462858 YUGOPRXJEQAPAZ-VWLOTQADSA-N 464.570 2.219 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2Cc2cccnc2OCCC)CC1 1286495287 XYDGSEKGIHJSTA-NRFANRHFSA-N 466.586 2.370 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCN2C[C@H](C)O[C@H](C)C2)CC1 1286663173 HUFXTPGDSZHPCG-WSTZPKSXSA-N 451.637 2.082 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1286779686 LSHVJWWVVPMGKU-MRXNPFEDSA-N 488.365 2.325 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H](c1ccc(F)cc1)N(C)C 1292133182 GHVYFBUVAPKJHZ-PMACEKPBSA-N 457.554 2.367 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@@](C)(O)c2ccccc2Cl)CC1 1300726351 NVZRHPWWQNIARO-MHECFPHRSA-N 471.989 2.309 30 10 JEEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)CCc2ccc(OC)cc2)CC1 1301216304 IDERIIQMJYODRN-OAQYLSRUSA-N 466.586 2.485 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c(-c2noc3c2COCC3)nnc1N1CCN(C)C(=O)[C@H]1C)C(C)C 1301366419 BLEZXINFTDVJDL-QUCCMNQESA-N 483.617 2.371 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@H](CF)c1ccc(Br)cc1 1301497683 ANOJQGKRIDOQRR-HZPDHXFCSA-N 479.354 2.441 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCO[C@H](c3ccccc3)C2)nnc1[C@]1(OCC)CCOC1 1301596141 ISUVREGEMMRWLJ-REWPJTCUSA-N 476.599 2.109 30 10 JEEE Cc1nccnc1CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1304717011 HXHOCRYENRHPDP-QGZVFWFLSA-N 480.598 2.270 30 10 JEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1358922327 BIULZVNAKVNLMC-UHFFFAOYSA-N 484.626 2.488 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@H](C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 1358968066 YRXITMVSXYFGGB-CTNGQTDRSA-N 489.617 2.355 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CCN1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1358968121 ZSKLRRGFQUVQDW-OAQYLSRUSA-N 489.617 2.355 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1c(C)nn(C)c1C 1358986876 KEIGIKTVPPKHSM-UHFFFAOYSA-N 478.626 2.408 30 10 JEEE C#CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(C)=O)C[C@H]1C 1359057944 NCUYXERQUJROOD-MJGOQNOKSA-N 492.646 2.010 30 10 JEEE C#CCSCCn1c(N2CCN(C3=NCC(C)(C)S3)CC2)nnc1[C@@]1(OCC)CCOC1 1359061522 FBYPTQIHHAJRMJ-JOCHJYFZSA-N 478.688 2.300 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CCS(=O)(=O)C1 1359239189 IEAZOQWLWAEQTC-IAGOWNOFSA-N 453.609 2.450 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCN(c2nc(C)cc(OCC)n2)CC1 1359332304 UQOQOGCBRWIHEJ-UHFFFAOYSA-N 489.646 2.360 30 10 JEEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3F)C2=O)cc1 1471010604 BLMZLJGCBNNAFF-QGZVFWFLSA-N 451.907 2.479 30 10 JEEE Cc1ccccc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(C#N)C1 1492593966 FIBFQUHUXMLJPI-UGKGYDQZSA-N 458.588 2.098 30 10 JEEE CNC(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)N(C)C2CC2)C1 1503760935 IBXUWSLTLIRMSJ-HKUYNNGSSA-N 451.575 2.174 30 10 JEEE COCCN(C)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC(C#N)CC1 1504853429 BGLCMJRMIPFLFZ-UHFFFAOYSA-N 459.982 2.180 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCOC1CCOCC1 1507529210 QPINLVIJZXFSRI-KRWDZBQOSA-N 460.604 2.282 30 10 JEEE C#CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1507554830 ZHLNYADEKTWCQU-HKUYNNGSSA-N 454.962 2.380 30 10 JEEE C#CCCCCn1c(Cc2csc(C)n2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1507565326 BYHXKQHHEVCXDO-IBGZPJMESA-N 455.588 2.204 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@](C)(O)C(C)C)CC1 1507735057 IRVVFPDWVLIABO-RUZDIDTESA-N 469.586 2.335 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1507804774 HURVUYIHOHPWBJ-KLPRUGGUSA-N 484.597 2.413 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1507804890 MNBRDCJOAMQNIB-OPYAIIAOSA-N 494.687 2.381 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)OCC)CC1 1507805715 NRNKWJMRZZRKPY-MJGOQNOKSA-N 469.546 2.185 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1507808360 QQDWIVBEXKNESC-ZWOKBUDYSA-N 470.540 2.455 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCn2cc(CO)nn2)C1 1508125733 FHAGSCASYIZZFJ-XUVXKRRUSA-N 459.595 2.152 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cc(F)ccc2OC)C1 1508127231 UEUJICVMOCINPU-MAUKXSAKSA-N 450.536 2.158 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](C)[C@@H](O)C1 1508149242 RPYFHIIZTGDAFQ-SQNIBIBYSA-N 483.635 2.158 30 10 JEEE Cc1cc(C)n(Cc2nnc(N(C)Cc3cccc(C#N)c3)n2CCCN2CCC(O)CC2)n1 1511677634 AYJPILYSBZUXJN-UHFFFAOYSA-N 462.602 2.495 30 10 JEEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cn(-c2ccccc2Br)nn1 1533848278 AUKIVZLTVABRMU-ZDUSSCGKSA-N 453.304 2.042 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCN2CCSCC2)CC1 1539462353 DVHHONMIQXVFJB-FQEVSTJZSA-N 489.690 2.154 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2cc(OC)ccc2OC(F)F)CC1 1539483075 ZACDSAHGWACKLY-QGZVFWFLSA-N 489.523 2.406 30 10 JEEE C#CCSCCn1c(Cc2cn3ccccc3n2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1539520715 SSOYTGVZQJJIEC-IBGZPJMESA-N 451.600 2.188 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC[C@H]1COCCO1 1539556635 FSCLGUULFKPXKY-AXHZCLLHSA-N 475.590 2.384 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCN(c2ncc(F)cn2)CC1 1539617087 UKZHSKYIGNMIOF-GGPKGHCWSA-N 475.569 2.239 30 10 JEEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)c1cc(OC)cc(OC)c1 1539803204 HAEAHNFZKIISQX-QGZVFWFLSA-N 471.967 2.149 30 10 JEEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2ccccc2OC)CC1 1540004826 GWTATMRYQIDBKX-FQEVSTJZSA-N 459.616 2.477 30 10 JEEE C=CCCOCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1540019245 FBHLDMUCHULTLS-LJQANCHMSA-N 461.588 2.363 30 10 JEEE C=CCN(CCOC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@]1(O)CCN(C)C1 1540200533 CCVZSEGLLDPTGP-XMMPIXPASA-N 478.638 2.098 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1540863561 YIIGBJDJISUEDO-XDHUDOTRSA-N 483.548 2.345 30 10 JEEE CC(=O)N1CC[C@H](CN(C)c2nnc(COc3ccc(C#N)cc3)n2CCc2nccnc2C)C1 1540946529 DGNGUATYNDDHRP-OAQYLSRUSA-N 474.569 2.375 30 10 JEEE CCCNC(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1547236441 CLGWGMKHTANNBG-MRXNPFEDSA-N 463.546 2.140 30 10 JEEE CCn1cccc(Cn2c(COc3ccc(C#N)cc3)nnc2N2C[C@H](C)O[C@@H](COC)C2)c1=O 1547627529 CWHHAESEQJTCJS-PGRDOPGGSA-N 478.553 2.199 30 10 JEEE C#CCN(C(=O)[C@H](C)NS(=O)(=O)c1cccs1)C1CCN(C(=O)OC(C)(C)C)CC1 1558370416 MOPSKDOBILTJPM-HNNXBMFYSA-N 455.602 2.276 30 10 JEEE C#CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1587830993 GMJFTBYITPZZEH-UHFFFAOYSA-N 454.575 2.022 30 10 JEEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CCOC[C@@H]1OC 1588276045 GIQBUVUGDXCLLV-ROUUACIJSA-N 460.604 2.058 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)N2CCCC2)n1C[C@H](C)N1CCOCC1 1588457979 BBRKTVRXZDMBRV-IBGZPJMESA-N 454.550 2.014 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC=CO1 1588550111 IEXKSJJRBRDRGZ-SFTDATJTSA-N 489.573 2.083 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2)n1CCS(=O)(=O)N1CCSCC1 1588604873 RPUYMLPEAQPBLJ-UHFFFAOYSA-N 484.047 2.063 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccccc2OC(F)(F)F)CC1 1588732581 CRGMRWHXMSZEAA-UHFFFAOYSA-N 462.476 2.216 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2Cc2c(F)cc(F)c(F)c2F)CC1 1588751375 JYTQDATTXUEGBA-AWEZNQCLSA-N 455.456 2.362 30 10 JEEE C#CCN1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CC(C)(C)COCC)CC1 1588812116 PEAXMLRRMVINJL-UHFFFAOYSA-N 466.634 2.270 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(OC)nc2)CC1 1588907853 HSONTEBSBBYBOE-UHFFFAOYSA-N 455.522 2.234 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCN(CC)CCC(F)(F)F)CC1 1588930317 SIZIWBZZFWCBQT-LJQANCHMSA-N 484.567 2.412 30 10 JEEE C=CCC(C)(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C)C(=O)[C@@H]1C 1594460673 AHBJWYLJSQMMFF-KRWDZBQOSA-N 474.631 2.465 30 10 JEEE C=CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1594733543 UXARMHNSVGMODP-SQNIBIBYSA-N 460.579 2.268 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccnc(C(F)(F)F)c1 1595302589 BHJVCQVCNHIZLE-HNNXBMFYSA-N 459.494 2.281 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1595577424 RTGWVLNXAVIOIK-RTBURBONSA-N 461.950 2.197 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC[C@](C)(C#N)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1595602558 NLDVCEVIGIWSTR-SAHWJRBASA-N 457.579 2.481 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]1c1ccccc1 1595797830 JCXVRQOBGCKIJL-OALUTQOASA-N 464.613 2.123 30 10 JEEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](c2ccco2)C1 1595824169 XVJZAVCKHLRDAY-QGZVFWFLSA-N 491.595 2.041 30 10 JEEE C#CCN(C(=O)CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)C1CCN(C)CC1 1597349148 MSXWZYQDYGYHRD-UHFFFAOYSA-N 451.898 2.193 30 10 JEEE CN(CCN1CCOC(C)(C)C1)c1nnc(-c2cccc(C#N)c2)n1CC1([S@@](C)=O)CC1 1618296845 FYRLSDOKFMIZDK-JGCGQSQUSA-N 456.616 2.275 30 10 JEEE COc1ccccc1CN(C[C@@H]1CCCO1)C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 1626105840 IFFQHUGIZYFQKB-XLIONFOSSA-N 457.552 2.441 30 10 JEEE C#CCC1(O)CCN(CCC(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2Cl)CC1 1644291593 LOONHYIMODVRPH-UHFFFAOYSA-N 453.992 2.303 30 10 JEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1689930030 JOKDGNHFMMQSGP-QZTJIDSGSA-N 465.620 2.287 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CC(C)(C)SC)[C@@H]1CCS(=O)(=O)C1 1689996883 QEKOZBSYPCCZMU-GOSISDBHSA-N 473.624 2.497 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCNC(=O)OC(C)(C)C 1690043102 OWZDDLRAWDUJIK-UHFFFAOYSA-N 485.614 2.226 30 10 JEEE C#CCN1CCN(c2nnc(C(C)(C)C)n2Cc2ccccc2CN2CCC[C@@H]2CO)CC1 1690110634 UOVHQVPLBUNMQY-HSZRJFAPSA-N 450.631 2.336 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2ccc(OC)cc2)CC1 1690124925 WYRGXPAYTXBHCT-QFIPXVFZSA-N 496.612 2.399 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCCN2CCCC[C@@H]2C)CC1 1690146040 DLOHMVAYAMWKEE-RBBKRZOGSA-N 456.635 2.402 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(N2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)nnc1C(C)(C)C 1690252815 JBHJDKWEZDKUGO-LEWJYISDSA-N 486.661 2.497 30 10 JEEE C=CCCOCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1690508141 BRSNOCKGADGVIN-YLJYHZDGSA-N 462.572 2.397 30 10 JEEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C(C)C)C1 1690747096 SOMCBSQWENEVQY-MSOLQXFVSA-N 457.666 2.403 30 10 JEEE CC[C@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@@H](C)CN1CCN(CC)CC1 1694115442 DCFJAEXSGDFNSU-SFTDATJTSA-N 496.708 2.305 30 10 JEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C(C)=O)cc2F)CC1 1705509656 IMUZAOCBSKWPNH-QGZVFWFLSA-N 490.605 2.360 30 10 JEEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)OCC)CC1 1705534826 SNFZDMVNOCQKGS-SFHVURJKSA-N 476.578 2.278 30 10 JEEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)c2ccccc2OCC)CC1 1705538157 DJBKNIAOPZNYIX-UHFFFAOYSA-N 464.570 2.175 30 10 JEEE C#CCN(c1nnc(C2CCCC2)n1Cc1ccc(C[S@@](C)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1705567398 VWMHFGFZNCIBNW-ROTAYESASA-N 474.652 2.489 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCCc1cccc(C)n1)[C@H]1CCS(=O)(=O)C1 1705568362 LZIDCNMUQWZDIZ-QFIPXVFZSA-N 481.626 2.103 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCOC[C@H]1C 1705583057 PJOFQRWJKQPXAR-AQNXPRMDSA-N 457.575 2.332 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](c2ccco2)N(C)C)CC1 1705648106 NVGFTJFOKZSECI-UXHICEINSA-N 454.575 2.034 30 10 JEEE C#CCSCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCNC(=O)[C@@H]1CC 1705661982 MPIZJHHIZKSOAC-SFHVURJKSA-N 476.647 2.474 30 10 JEEE C#CCSCCn1c(N2CCN(CC(=O)NCc3ccccc3)CC2)nnc1C(C)(C)C 1705665645 ZONYPVXVTVTDLT-UHFFFAOYSA-N 454.644 2.380 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2OC)nnc1N1CCO[C@H](CNC(C)=O)C1 1705701541 CDGASJHRSINNBT-KNKQGSTJSA-N 455.559 2.276 30 10 JEEE C=C(C)COCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1705735589 BGVLWVKTKLPTAX-IAGOWNOFSA-N 488.614 2.043 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1([S@](C)=O)CC1 1705864727 KRNTZFAHHLUBNI-ZQHDKMAOSA-N 466.604 2.423 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCN(CCN2[C@@H](C)CC[C@@H]2C)CC1 1705899554 XBCCMJUUMFPNID-SFTDATJTSA-N 451.619 2.242 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N(C)Cc1ccc(C(=O)NC2CC2)cc1 1705902535 GPZMDWJFXTZSGA-LJQANCHMSA-N 452.559 2.003 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1705931507 RPFRXARAGWTYPP-HXUWFJFHSA-N 494.415 2.167 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1Cc2ccc(Br)cc2C1 1705934076 ALCMFUTTWZUPCD-MRXNPFEDSA-N 480.388 2.113 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCC(NC(=O)c2ccccc2)CC1 1705937346 QYYJPBXEJOFNMH-UHFFFAOYSA-N 494.621 2.264 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CCC[C@@H]1c1nncn1C 1705938487 ZZQHLEHGXBLPSS-LJQANCHMSA-N 471.587 2.236 30 10 JEEE C#CCCCn1c(Cc2csc(C)n2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1722334496 CCBRQZCWPXFESP-GCJKJVERSA-N 469.659 2.426 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1Cc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1722359395 SNQLJWMZSPIVKP-LJQANCHMSA-N 461.563 2.011 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1C[C@@]1(O)CCSC1)[C@@H]1CCS(=O)(=O)C1 1722359399 MEMWKNYXTVSHLI-KNQAVFIVSA-N 460.625 2.002 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1ccc(OCCC)nc1)[C@@H]1CCS(=O)(=O)C1 1722368439 RMWXQKQGHARPFZ-WOJBJXKFSA-N 473.599 2.031 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1CC(C)(C)CN(C)C)[C@H]1CCS(=O)(=O)C1 1722370340 NFMHDMGNLUJAAO-SFHVURJKSA-N 477.606 2.211 30 10 JEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1C[C@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1722371647 KSVFUTXXTKIFIZ-IFMALSPDSA-N 472.611 2.268 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2cccnc2OCCC)CC1 1722433516 YFPNVRNZIUVLPX-VWLOTQADSA-N 468.602 2.306 30 10 JEEE C#CCN1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CC[C@@H](OC)C(F)(F)F)CC1 1722437534 OBLYTPRJAYHZFM-LJQANCHMSA-N 492.550 2.175 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](CC)Oc2ccccc2F)CC1 1722448730 YELYWDSAXUMQII-UYAOXDASSA-N 482.560 2.192 30 10 JEEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1722464361 CUMBGJOKIZYDTC-NJDAHSKKSA-N 488.702 2.306 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@](C)(O)c2ccc(F)cc2)CC1 1722582197 MKFNECNEPUPXNQ-REWPJTCUSA-N 493.605 2.060 30 10 JEEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@](O)(c2cccc(F)c2)C1 1722598956 DFVARYXVRJIONW-IIBYNOLFSA-N 451.568 2.482 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC2(CCCCC2)O1 1722681072 GBGCWYTUXMAOSU-WOJBJXKFSA-N 497.662 2.132 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1722705555 DPMKNULNDMVYJT-UHFFFAOYSA-N 486.580 2.315 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(c2cccc(OC)c2)CC1 1722725139 GVCHUTXWCBEXHE-UHFFFAOYSA-N 468.583 2.276 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(OCC)cc1 1740591030 LTEGUEOFMPCQBK-FQEVSTJZSA-N 461.588 2.060 30 10 JEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1740595769 YFUDTQGBIRDEFK-SFHVURJKSA-N 469.615 2.265 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1740618603 JHIBCCYHRDBWLC-NRFANRHFSA-N 497.581 2.465 30 10 JEEE C#CCN(c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCOCCN(C)C)[C@H]1CCS(=O)(=O)C1 1740621047 ZROGMCMQQSAONK-QFIPXVFZSA-N 487.670 2.448 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCCOC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1740621152 UFFZQGVHOJLZID-KRWDZBQOSA-N 467.473 2.370 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2CCC(F)(F)C2)n1 1740688094 AEALYQBHCHISGD-SJLPKXTDSA-N 461.517 2.147 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2csc(C(C)C)n2)CC1 1740706700 ZQZSKHYKATZTQH-SFHVURJKSA-N 469.615 2.018 30 10 JEEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(C[C@H]2CCOC2)CC1 1740739557 VMQIZQINNWNZRA-IAGOWNOFSA-N 458.401 2.069 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2ccc(F)cc2)C1 1740794974 LSMXJTQKAKSUIO-AZUAARDMSA-N 464.563 2.490 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(c2ccccc2C#N)CC1 1740795308 RYXSPYRAJPAPGM-NRFANRHFSA-N 484.626 2.361 30 10 JEEE C=CCCCCn1c(-c2cnccn2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1740861542 QQXYJHBZYSGOGX-NRFANRHFSA-N 454.623 2.323 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc(Br)cc1 1740951368 WSZUAVKHAUCUAM-UHFFFAOYSA-N 461.364 2.215 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC(C#N)CC1 1740957996 GMMGOZJMKTZOMY-SFHVURJKSA-N 457.579 2.435 30 10 JEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1nc(O)c2ccccc2n1 1741003513 WDYLPMZLSJAGLI-HNNXBMFYSA-N 474.612 2.385 30 10 JEEE CC(=O)N1CC[C@H](CN(C)c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(C#N)o2)C1 1741031644 JEWKUHZDNWPXRD-MRXNPFEDSA-N 467.555 2.087 30 10 JEEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN([C@H](C)c2nc(CC)no2)CC1 1748697064 BSUYBVXQEZWRNK-GOSISDBHSA-N 454.579 2.146 30 10 JEEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1ccc(N(C)C)nc1 1748794551 AWJKQTZYDXZGMN-UHFFFAOYSA-N 458.614 2.222 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCN(CCC)C1)[C@H]1CCS(=O)(=O)C1 1748810187 STZIJQKVGDXUDP-MJGOQNOKSA-N 477.034 2.352 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@H](C)Oc1ccccc1)[C@H]1CCS(=O)(=O)C1 1748818550 CHRIGPLXDZFGIY-FPOVZHCZSA-N 465.579 2.358 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CCOc1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 1748818905 HNABTVAJBWDSQP-OAQYLSRUSA-N 465.579 2.278 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)[C@@H](C)[C@H](C)O2 1748864540 YVWSLTQSMYZUSZ-BZSNNMDCSA-N 455.584 2.284 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCO[C@@H]1CCOC1 1748887107 TXQKPQSERANUGN-HXUWFJFHSA-N 474.565 2.333 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)ccc3Br)n2C[C@](C)(O)CCOC)CC1 1748979913 SGGMYDMBGXJBFF-JOCHJYFZSA-N 492.418 2.259 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@](C)(O)CC)CC1 1749001727 ZXWGNQJGXDGRLT-RUZDIDTESA-N 466.586 2.274 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1749117898 ADBWXTPTGJICPI-LEOABGAYSA-N 481.541 2.026 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCN(CCOC)[C@@H](C)C2)nnc1[C@]1(OC(C)C)CCOC1 1749141310 YNOVCENNZAOQMQ-MTQWNXOMSA-N 477.650 2.457 30 10 JEEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)NCc2ccc(F)cc2)CC1 1749251555 GUVXXQHCEWZXQD-HNNXBMFYSA-N 499.012 2.313 30 10 JEEE C=CCCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCO[C@@H](CNC(C)=O)C1 1749399004 YKFZHPTYJUCKMZ-KRWDZBQOSA-N 451.531 2.292 30 10 JEEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 1749434316 NTYIDACLTFWNQF-UHFFFAOYSA-N 472.615 2.268 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 1749721303 GIXMJQCILRSSSN-SFHVURJKSA-N 492.671 2.060 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N(C)Cc1ccc(Br)o1 1749730648 MBISXQVRHLTPQH-UHFFFAOYSA-N 467.349 2.328 30 10 JEEE N#Cc1cccc(-c2nnc(N3CCS(=O)CC3)n2C[C@@H]2CCN(CC(F)(F)F)C2)c1 1750381673 AISHHTQALJEBQM-MRXNPFEDSA-N 452.506 2.270 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(Cl)c2c(c1)OCCO2 1760117841 URXRASXWRIOTJA-UKRRQHHQSA-N 450.948 2.111 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@](C)(O)CCC)[C@H]1CCS(=O)(=O)C1 1760182422 FQHJPTBXOAURIH-RXVVDRJESA-N 461.544 2.031 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1760193451 ZUCYQYISBWIQLJ-VNTMZGSJSA-N 464.632 2.393 30 10 JEEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1Cc1ccccc1N1CCOCC1 1760223736 KJNKGSALPRVSBU-UHFFFAOYSA-N 457.582 2.488 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)s3)n2CCCN2CCOCC2)CC1 1760255973 QWTIGSINZXCJMA-UHFFFAOYSA-N 479.448 2.247 30 10 JEEE C#CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@@H](C(=O)OC)C1 1760279726 IXNQFIKMBOYXMK-MRXNPFEDSA-N 466.567 2.041 30 10 JEEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CCC(CNS(C)(=O)=O)CC1 1760282738 OGTGLPQJAOEFOI-UHFFFAOYSA-N 483.610 2.279 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(Cl)nc2)CC1 1760402606 OFVOYCACSQGDEZ-QGZVFWFLSA-N 466.995 2.110 30 10 JEEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1nccc(C(F)(F)F)n1)C1CC1 1760477430 ZYAABHLZUKPNFX-CYBMUJFWSA-N 456.494 2.387 30 10 JEEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCN(CC)C1 1760503204 CINLSRTTWRAWIB-SFHVURJKSA-N 451.575 2.173 30 10 JEEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCN(C(=O)c2ccsc2)CC1 1760526291 KCQZRUGYAKBSTE-UHFFFAOYSA-N 480.594 2.492 30 10 JEEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCSC2(CCOCC2)C1 1760526640 DXAYUJMEFZDANZ-UHFFFAOYSA-N 457.600 2.304 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1760526838 VBTWVCHGJWXAGA-QHCPKHFHSA-N 493.612 2.495 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@]2(N(C)C)CCC[C@H](C)C2)C1 1760542163 DRJKXQCFPLDSSW-DZCCDHAISA-N 465.664 2.472 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Br)c2)nnc1N1CCO[C@@]2(CCOC2)C1 1760550515 ADSXYAHHCBWBLU-FQEVSTJZSA-N 497.415 2.304 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1760556239 XIVHMPYNYVIEBM-UHFFFAOYSA-N 477.553 2.431 30 10 JEEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCCN(C(=O)c2ccc(Cl)cc2)CC1 1760558572 SPJUSLPJBYIVJL-UHFFFAOYSA-N 496.033 2.421 30 10 JEEE C[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)CC#N)N1CCN(c2ccccc2)CC1 1761409694 DHJFCXRPNUEENS-NJYVYQBISA-N 485.658 2.129 30 10 JEEE Cc1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)on1 1762683069 AEFQTONYBJSLDA-IBGZPJMESA-N 499.597 2.181 30 10 JEEE C[C@H]1COCCN1CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1763231844 ATIPAEKRPXGAOB-QFBILLFUSA-N 491.518 2.042 30 10 JEEE CCS(=O)(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN(C)C(C)C)CC1 1766706589 BNSHUYZMRFPFQM-UHFFFAOYSA-N 459.620 2.065 30 10 JEEE COc1cc(OC)cc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CC(=O)NCC(F)(F)F)c1 1768376683 GOMRDCPYBCLLDK-GOSISDBHSA-N 456.400 2.083 30 10 JEEE COCC[C@@](C)(O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(CC#N)CC1 1770981512 BLSFMOZROLZSJI-XMMPIXPASA-N 468.606 2.370 30 10 JEEE CN(C)c1ccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2CCCNC=O)cc1 1862757872 RNHCUJNFOMFBEA-HXUWFJFHSA-N 452.467 2.375 30 10 JEEE C=CCOc1ccccc1[C@H]1C(C(=O)N(CCN)C(C)=O)=C(N)Oc2c1c(C)nn2CC(C)C 1865224792 QETSBZKCQPVXKA-OAQYLSRUSA-N 467.570 2.441 30 10 JEEE CCC[C@H](NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1)C(=O)N1CCN(c2ncccn2)CC1 1868795397 KZVLRYJYLARTAQ-SFTDATJTSA-N 495.653 2.448 30 10 JEEE COC(=O)c1ccc(/C=N/n2c(COc3ccc(OC)cc3)nnc2SCC(N)=O)cc1 1874292451 DPGUGJHHIGQRHO-FOKLQQMPSA-N 455.496 2.112 30 10 JEEE N#Cc1nc(-c2cccs2)oc1N1CCC(C(=O)N2CC(CN3C(=O)CCC3=O)C2)CC1 1892281125 JIWKDUDKNWUBMC-UHFFFAOYSA-N 453.524 2.099 30 10 JEEE CC(C)(C)OC(=O)NCC[S@](C)(=O)=NC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2247834480 WLEXPHULHDHXNI-PMERELPUSA-N 459.399 2.205 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CO)CNC(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2255523031 BJVQASJULXNIJC-AWEZNQCLSA-N 454.760 2.255 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1(C)C 2256637963 XNZSOQLXEZXCQD-GFCCVEGCSA-N 452.386 2.233 30 10 JEEE Cc1sc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2O)cc1B1OC(C)(C)C(C)(C)O1 2267113147 PTOAVHYOLGJOLL-CVEARBPZSA-N 466.409 2.456 30 10 JEEE CO[C@@H]1C[C@@H](CNC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)N(C(=O)OC(C)(C)C)C1 2267547507 LQTRTNYAGJKBCM-UONOGXRCSA-N 467.397 2.197 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](NS(=O)(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)CCO1 2267718384 SNFFHUJEYZEUJS-MRXNPFEDSA-N 468.381 2.205 30 10 JEEE C[C@H]1[C@@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)[C@H](C)CCN1C(=O)OC(C)(C)C 2268773390 MTAMPRSUCWCHHA-RDBSUJKOSA-N 466.413 2.479 30 10 JEEE C=C(CN(C)C(=O)[C@@H]1[C@H](OC)[C@H](OC)CN1C(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2268798648 IXZOALHPVMXLEC-IXDOHACOSA-N 454.373 2.282 30 10 JEEE CC(C)(C)OC(=O)NCC[C@H](O)C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2269683085 GQLVBLMHVNGATG-KRWDZBQOSA-N 452.332 2.017 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1CN(C)CCN1C(=O)OC(C)(C)C 2281969573 ACPFNGYCPPCCBK-OAHLLOKOSA-N 480.440 2.032 30 10 JEEE CC(C)(C)OC(=O)N(CCO)[C@@H]1CCCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)C1 2281996344 NJVSFSIZWDPCSG-OAHLLOKOSA-N 481.424 2.276 30 10 JEEE Cc1ccnc(C(=O)N2CC[C@H](NC(=O)C(F)(F)F)[C@H](C)C2)c1B1OC(C)(C)C(C)(C)O1 2282004836 MBIRYWAUSBDVIS-KGLIPLIRSA-N 455.286 2.218 30 10 JEEE Cn1nc(C(=O)N[C@@H]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2282038545 JXQOSPUFEDWFEZ-BFHYXJOUSA-N 480.802 2.358 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H](NC(=O)OC(C)(C)C)C3(CCC3)C2)n1 2282043378 MVJMCZVPDQDKSL-INIZCTEOSA-N 460.384 2.239 30 10 JEEE C[C@@H](CNC(=O)c1coc(B2OC(C)(C)C(C)(C)O2)c1)N1CCN(C(=O)OC(C)(C)C)CC1 2282531040 DBVCCILGSTVEJH-INIZCTEOSA-N 463.384 2.250 30 10 JEEE CCN(C(=O)c1c(C)nn(C)c1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2282589552 PDBYCBUZPJGXOA-MRXNPFEDSA-N 462.400 2.499 30 10 JEEE CC(C)(C)OC(=O)NC[C@H](O)CC(=O)NCCc1c(F)cccc1B1OC(C)(C)C(C)(C)O1 2289656880 QEYRHKJHVVKKSQ-OAHLLOKOSA-N 466.359 2.059 30 10 JEEE Cc1ccc(CNC(=O)[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2296184106 LBGNDRQYPRVXKM-XMMPIXPASA-N 460.380 2.282 30 10 JEEE CCCSc1nnc(CNC(C)=O)n1N=Cc1ccc(OCCN2CCOCC2)c(OC)c1 2330777133 AEIGXLBRSLZXDK-UHFFFAOYSA-N 476.603 2.018 30 10 JEEE COc1[nH]c(=N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2OC)ccc1B1OC(C)(C)C(C)(C)O1 2365348299 OOTSSRXMUVNGDT-IAGOWNOFSA-N 463.384 2.248 30 10 JEEE CC1(C)OB(c2cc(C(=O)N[C@@H](CCO)COCc3ccccc3)c(O)cc2O)OC1(C)C 2369538791 VFPPGBVPGBMVDZ-KRWDZBQOSA-N 457.332 2.095 30 10 JEEE CC1(C)OB(c2ccccc2CS(=O)(=O)N[C@@H](CCO)COCc2ccccc2)OC1(C)C 2369636170 YRRLJZGMUKOCEM-NRFANRHFSA-N 475.416 2.373 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)NCc3ccc(S(=O)(=O)N(CC)CC)s3)cc2C1=O 21687120 DCRLBKWOFRELDN-UHFFFAOYSA-N 461.565 2.491 30 10 JEEE CCCCN/C(O)=N/S(=O)(=O)c1ccc(NC(=O)CN2CC(=O)Oc3cc(C)ccc32)cc1 31836524 VHBPROVJWQNAFU-UHFFFAOYSA-N 474.539 2.352 30 10 JEEE C/C(O)=N/S(=O)(=O)c1ccc(NC(=O)C2CCN(c3ccc(-n4cccn4)nn3)CC2)cc1 62163268 IUIAENXICHHRDM-UHFFFAOYSA-N 469.527 2.183 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)C[S@](=O)CC(=O)Nc3cc(OC)ccc3OC)cc21 586327430 HRBKLHQKOQBLCP-XIFFEERXSA-N 472.519 2.185 30 10 JEEE Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C(=O)NCc1ccc(C#N)cc1F 609256591 AHXFWGDYRPRAAF-UHFFFAOYSA-N 458.515 2.435 30 10 JEEE C#C[C@@]1(O)CCCN(C(=O)[C@@H](CC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)C1 757466290 JOEKFRFQEDOADS-ATIYNZHBSA-N 462.502 2.355 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC[C@H](C(=O)Nc3cccc(C)n3)C2)ccc1F 919847306 AIACPCVHOJVNRO-KRWDZBQOSA-N 460.531 2.484 30 10 JEEE COc1cccc(C=NNc2nnc(SCC(=O)Nc3cc(OC)cc(OC)c3)n2N)c1 1084116743 FUCDUSNWEQPDER-UHFFFAOYSA-N 457.516 2.195 30 10 JEEE C#C[C@@H](NC(=O)[C@H]1CC[C@@H](Cn2cnc3c(N)ncnc32)O1)c1ccc(Br)cc1 1141460715 FDOUXJUANOAFEZ-ARFHVFGLSA-N 455.316 2.209 30 10 JEEE CCOc1ccc(S(=O)(=O)NCCC(=O)NCc2ncc(-c3cccc(C#N)c3)[nH]2)cc1 1150300357 HSZAQOWAEAFLEF-UHFFFAOYSA-N 453.524 2.332 30 10 JEEE C#C[C@H](NC(=O)N1CCN(S(=O)(=O)c2c(C)oc(C)c2C(=O)OC)CC1)c1ccccc1 1230488727 BNAVLCMILMJJQT-SFHVURJKSA-N 459.524 2.073 30 10 JEEE C=CCN(C(=O)c1cc(Br)nn1-c1ncccc1Cl)[C@@H]1CCS(=O)(=O)C1 1264995950 YBXOLRUIPNBLLK-LLVKDONJSA-N 459.753 2.499 30 10 JEEE C#CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C(=O)NCC#C)CC1 1286325498 YNZCBLXJWDEWQN-NRFANRHFSA-N 498.628 2.356 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1Cc1ccc(C#N)o1)[C@@H]1CCS(=O)(=O)C1 1286395682 SUFCTAVNCTYATQ-GOSISDBHSA-N 453.499 2.148 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nc2cccc(Cl)c2n1C 1286432120 XVKBROSFPUMVFX-MRXNPFEDSA-N 470.986 2.232 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H]2CCCCS2(=O)=O)CC1 1286484798 XTZHOPHVBHQLDF-HXUWFJFHSA-N 478.018 2.233 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(CC)cc3)n2CC2CCS(=O)(=O)CC2)CC1 1286487919 RRVYZOZOKCHYMR-UHFFFAOYSA-N 483.638 2.298 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N[C@H](C)CC)CC1 1286489538 WSGYODWAWRUHOW-GOSISDBHSA-N 461.570 2.087 30 10 JEEE C#CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(CCOC)[C@H](C)C1 1286500093 RGQNOPICJIDIOU-GOSISDBHSA-N 457.600 2.240 30 10 JEEE C=C(C)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC(NC(C)=O)CC1 1286595889 MARYLWRSKCFBJT-UHFFFAOYSA-N 451.619 2.324 30 10 JEEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(Cl)c1 1286607157 CEFXDULTGBCHNM-IBGZPJMESA-N 484.022 2.494 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1286646484 RTRHNJFRFINKSF-JPYJTQIMSA-N 495.646 2.099 30 10 JEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CN(Cc3ccccc3)CCO2)CC1 1286652248 URCZLXSRRVTHST-KNQAVFIVSA-N 488.658 2.192 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c(-c2noc3c2COCC3)nnc1N1CCS(=O)CC1)C(C)C 1286751042 LJQHYJCXRRREQT-IBGZPJMESA-N 474.631 2.273 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(C)oc2ccccc12 1286773776 RUYMEZCWAMDITE-NRFANRHFSA-N 489.598 2.353 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N(C)CC(=O)NC(C)(C)C 1286779417 IFMCHPDQXSYSBS-UHFFFAOYSA-N 450.490 2.200 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N(C)Cc1cscn1 1286780760 ZXXURXICSXXNKX-UHFFFAOYSA-N 450.366 2.441 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 1286787188 BWKJHTOIOWQYKV-IRXDYDNUSA-N 487.992 2.378 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1286793077 QPWWZSALVASRTF-LJQANCHMSA-N 480.573 2.218 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1286814575 CMOCFEUOCGESPC-FQEVSTJZSA-N 497.625 2.450 30 10 JEEE CC(C)(Cn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C#N)C1)N1CCOCC1 1287092980 GHKQFIWHLGJYKL-IBGZPJMESA-N 460.966 2.350 30 10 JEEE Cc1ccc(Cn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N2CCO[C@@H](C#N)C2)c(=O)n1C 1289679145 HXVINLDXPHWBEO-FQEVSTJZSA-N 497.600 2.177 30 10 JEEE C=C(CC)CNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2OC)CC1 1299355088 ZXWGMTQTFPNKPO-UHFFFAOYSA-N 457.980 2.044 30 10 JEEE CO[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1)C(C)C 1299714247 BZYWOQGMLQXOJS-DHIUTWEWSA-N 495.628 2.143 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](OC)[C@H](C)CC)c1 1300334195 IIPFKUUUXRJKLI-QFUCXCTJSA-N 487.626 2.298 30 10 JEEE C#CCN(c1nnc(CC2CCCC2)n1Cc1cccc(C(=O)NC)c1)[C@@H]1CCS(=O)(=O)C1 1300500497 AAVFELQICTWTNR-OAQYLSRUSA-N 469.611 2.045 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@H](OC)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1300501875 NYWVVUNVNDNGDP-FGZHOGPDSA-N 482.610 2.154 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1cccc(OC)c1)N1CCCC1 1300578595 NCVSLHNUZYNWTO-LADGPHEKSA-N 495.649 2.489 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@H]2CCCN2CCCO)CC1 1300682035 DJXFNGYMDOAIBB-UNMCSNQZSA-N 470.593 2.159 30 10 JEEE COCC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@](C)(O)c2ccco2)CC1 1300904158 HLSAUSDRTKQNMC-XMMPIXPASA-N 464.526 2.049 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)C(F)(F)F)CC1 1301087231 YDDOABNHNVAPDI-CQSZACIVSA-N 451.515 2.356 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccnc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1301351480 UFHIFFDUEMYNNU-QFIPXVFZSA-N 457.531 2.221 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCC(Nc2cccnn2)CC1 1301576564 DTZJRRGTWLGINT-UHFFFAOYSA-N 457.560 2.318 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N(C)C[C@@H]1COc2ccccc2O1 1301586869 PHVPIWRMSXWTOW-LJQANCHMSA-N 469.567 2.141 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1301593995 ZTZFHTXWWXGKIN-AUSIDOKSSA-N 476.599 2.151 30 10 JEEE CC(C)NC(=O)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CC[C@@](F)(C#N)C1 1303447450 HDJWLAQPQAVRCF-HSZRJFAPSA-N 466.521 2.202 30 10 JEEE C#CCNC(=O)C1CCN(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccccc2OC)CC1 1311615080 ZMKZAAQWAKMBGR-LJQANCHMSA-N 458.559 2.432 30 10 JEEE CCOC(=O)N[C@H](CC(C)C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C)C(=O)C1 1314027294 DSWLICJBGLWWMP-LJQANCHMSA-N 453.547 2.256 30 10 JEEE CCS(=O)(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)N(C)C)CC1 1314511735 HPQJDWUUIGJFDP-KRWDZBQOSA-N 460.604 2.082 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCCCN1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1358960386 DAZVMDSWRKKPSU-FQEVSTJZSA-N 458.632 2.412 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](C)CN1CCCC1 1358979366 KMUNNJXKVLRSGQ-NHCUHLMSSA-N 470.618 2.391 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCNC(=O)C(C)(C)C 1358994104 FDGCFQKMSJCGBN-LJQANCHMSA-N 486.617 2.212 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(Br)c2)n1CC(=O)NCC(F)F 1359018725 ABCKIHNXKKBVAA-UHFFFAOYSA-N 456.291 2.175 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)CC1 1359034670 ZMDAFPXJJMRVDQ-SFTDATJTSA-N 451.619 2.292 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@]2(O)CCC[C@@H]2C)CC1 1359042350 BYKRTLAKZKYIHB-QYBDOPJKSA-N 481.597 2.479 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2Cc2ccc(N(C)C)nc2)CC1 1359042629 NUNOKSLHKLPGGG-UHFFFAOYSA-N 473.581 2.429 30 10 JEEE C=C(Br)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CCOC)[C@H](CC)C1 1359076595 GSOMTELUGUWUQG-MRXNPFEDSA-N 478.395 2.381 30 10 JEEE C=C(Cl)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1359148793 CHPXHGBVVBWWEK-CQSZACIVSA-N 473.024 2.004 30 10 JEEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(S(=O)(=O)CC)CC1 1359345696 NVYIKHHHAMCYQR-UHFFFAOYSA-N 452.650 2.462 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1(CS(C)(=O)=O)CC1 1359466594 DYLQGNMXVSTZMG-HNNXBMFYSA-N 479.006 2.282 30 10 JEEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CCc1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 1507627259 RNMMRFVQBGSCJY-ZJSXRUAMSA-N 472.611 2.108 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1cccnc1 1507700816 VRDHAUBIVBOYJE-QGZVFWFLSA-N 456.547 2.305 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2cccc(C(OC)OC)c2)CC1 1507720524 USQDOOIHSFKJAA-VWLOTQADSA-N 469.586 2.025 30 10 JEEE C#CCSCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1507750008 FSWOWVYJLZZUGY-LJQANCHMSA-N 456.597 2.121 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CCOc2ccccc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1507805482 JREIWBCTFLFVGS-JTAQYXEDSA-N 489.642 2.351 30 10 JEEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)CN1CCOCC1 1507982422 MQMFXEXSJWPUKP-RBUKOAKNSA-N 464.611 2.177 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CC1 1507996899 LXVDYTWLZXDWEQ-FQEVSTJZSA-N 461.588 2.222 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(N(C)C)CCC1 1508002307 DNDBJJZYKPSLOT-NRFANRHFSA-N 488.658 2.288 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC(C(=O)NC2CCCCC2)CC1 1508082373 SGDODLNDZLYIJR-UHFFFAOYSA-N 451.575 2.308 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@](F)(C#N)C1 1508137308 ZNVUXWVOEDEHTQ-MRXNPFEDSA-N 457.329 2.078 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCO[C@@H](C)C1 1508141190 LPNNRCBYQYPXSL-ZWKOTPCHSA-N 483.635 2.219 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N(CC)Cc1nc(O)c2ccccc2n1 1508147987 OVRAWONKSNRGLF-GOSISDBHSA-N 472.571 2.406 30 10 JEEE C[C@H](C#N)CN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(C)(C)N1CCOCC1 1508420608 AJHUOYZJVYFKNG-LJQANCHMSA-N 467.622 2.159 30 10 JEEE CCc1cccc2c(CCn3c([C@@H]4CN(S(C)(=O)=O)CCO4)nnc3N(C)C[C@@H](C)C#N)c[nH]c12 1513676706 GRXGAYWOBRQQPF-UWJYYQICSA-N 499.641 2.493 30 10 JEEE CSC1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(CCC#N)CC2CC2)CCOCC1 1519972192 BDGWWDLBLZMDAE-KRWDZBQOSA-N 453.634 2.222 30 10 JEEE N#CCC1CCN(c2nnc(COc3ccccc3F)n2CCC(=O)N2CCOCC2)CC1 1521148700 FMAVLAXJBOCHJH-UHFFFAOYSA-N 456.522 2.375 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H](OCC)C1CCCC1 1539013129 HZHMCMBJEVOQBN-YSIASYRMSA-N 467.636 2.054 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2[C@@H]2C[C@H]2CCC)c1 1539038008 KJCMDIXZWQPHGI-SZVBFZGTSA-N 458.588 2.306 30 10 JEEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 1539177658 AOGIBRKGLDYQPB-IAGOWNOFSA-N 463.604 2.039 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@H]1CCC(F)(F)C1)[C@@H]1CCS(=O)(=O)C1 1539202994 MLBXUVUWCREKQW-DOTOQJQBSA-N 471.574 2.259 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1Cc1nccc(C(F)F)n1)[C@@H]1CCS(=O)(=O)C1 1539213089 VPGOIRXFWJCXDH-QGZVFWFLSA-N 483.504 2.219 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)cc1O[C@H]1CCOC1 1539370275 TWIHQMUCGIOLEK-PMACEKPBSA-N 458.584 2.164 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1ccccc1Cl)N(C)C 1539370436 VZUXBRBMSRXBNS-VQTJNVASSA-N 495.049 2.027 30 10 JEEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(CS(C)(=O)=O)cc1 1539377870 OGMREGAAPPCSOM-UHFFFAOYSA-N 471.608 2.322 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2[C@H]2C[C@H](c3cccc(Cl)c3)C2)CC1 1539429589 BBECNFCWGTUUMX-YVWKXTFCSA-N 477.034 2.416 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@]2(O)CCC[C@H]2C)CC1 1539474629 VPUGAJLPPSAPLP-CJAUYULYSA-N 451.571 2.471 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1CC1(OCCOC)CCOCC1 1539566457 KTJHFQMMMFMASX-HSZRJFAPSA-N 487.626 2.474 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1539801417 AEGVJAQWFFPYLY-RBUKOAKNSA-N 451.015 2.448 30 10 JEEE C=CCCOCCn1c(-c2cccc(Br)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1540019858 DSPQUUNTBIGVDK-QGZVFWFLSA-N 464.364 2.252 30 10 JEEE C=CCN(C)c1nnc(-c2cc(Br)cn2C)n1CCCN(CC)S(C)(=O)=O 1540051754 MOOYYTWRVMHLQG-UHFFFAOYSA-N 459.414 2.340 30 10 JEEE C=CCN(c1nnc(Cn2nc(C)cc2C)n1CCc1ccc(S(N)(=O)=O)cc1)C1CC1 1540114763 PCUGYIBKZRXIIA-UHFFFAOYSA-N 455.588 2.185 30 10 JEEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1540855015 UIFHYIMEFLRVCM-KRWDZBQOSA-N 476.603 2.485 30 10 JEEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1540857944 XFAONPZISRBZEE-UHFFFAOYSA-N 475.638 2.225 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1540867112 KXOHJDRCCWDKPZ-UHFFFAOYSA-N 464.492 2.451 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H](CC)c3ccccc3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1540884020 IYFARNVXTQZLMH-VIZSFHNOSA-N 460.600 2.151 30 10 JEEE CCCNC(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@](C)(C#N)C1 1547236872 AKGAZMPHESVXPL-QFIPXVFZSA-N 458.588 2.395 30 10 JEEE CCS(=O)(=O)N1C[C@@H](C(=O)NC)C2(CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)C1 1548375835 XOSYBVQBKPSDEG-KRWDZBQOSA-N 458.506 2.191 30 10 JEEE N#Cc1ccc(OCc2nnc(N3CC[C@@]4(CCOC4)C3)n2CC(=O)NCC(F)(F)F)cc1 1555990353 BYRMKUTVULWJAF-HXUWFJFHSA-N 464.448 2.024 30 10 JEEE Cc1ccc(C(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)cc1S(=O)(=O)N1CCOCC1 1567193940 GDVNHCWXFOUYKE-NRFANRHFSA-N 455.536 2.101 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2CCCCN2CCOCC2)c1 1587697320 NRLSVKAWDTWCRQ-JOCHJYFZSA-N 466.586 2.298 30 10 JEEE C#CCCCCn1c(-c2cccc(Br)c2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1587712433 USIPWVXQKPZGRC-UHFFFAOYSA-N 499.413 2.438 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CCCO[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1588040091 ICCUTRAEFJYHBN-UXHICEINSA-N 479.002 2.421 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H](Cc1ccccc1)OC)[C@H]1CCS(=O)(=O)C1 1588045536 MIXZRXDWTMAFKQ-LEWJYISDSA-N 467.595 2.168 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(C(=O)N3CCCC3)n2Cc2ccncc2Cl)n1 1588694737 CFODYZTYECDQGX-UHFFFAOYSA-N 482.976 2.094 30 10 JEEE C#CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CCN(C(=O)NCC)CC1 1589117009 RMDFVGQQYWRHHO-UHFFFAOYSA-N 458.588 2.084 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1589504771 JGOGCKLPPURRQE-RTXPOLOASA-N 486.569 2.304 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@H](OCCOC)C1 1589731787 XDEUNGNICXOHQP-LJQANCHMSA-N 463.604 2.403 30 10 JEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1cnn(-c2ccccc2)n1 1593691525 XLUBBMYEUZIOOI-UHFFFAOYSA-N 450.547 2.324 30 10 JEEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)Cc1ccc(F)cc1 1595529926 MYPOKHFGWRGYIZ-UHFFFAOYSA-N 471.562 2.316 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(C(=O)OC)CC1 1595831527 RLFVDNKWYRTTAG-QZTJIDSGSA-N 468.620 2.187 30 10 JEEE C#CC[C@]1(C(=O)N2CCc3sc(S(N)(=O)=O)cc3C2)CCCN1C(=O)OC(C)(C)C 1629816503 CNVPDRYMOBEMLM-HXUWFJFHSA-N 453.586 2.073 30 10 JEEE C#CCn1ccc(CN(CCOC)C(=O)[C@H]2CSCN2C(=O)c2ccc(OCC)cc2)n1 1639992414 XRUCREKIZXKCIM-OAQYLSRUSA-N 456.568 2.105 30 10 JEEE C#C[C@@H](NC(=O)N1CCN(C(=O)OC(C)(C)C)[C@H]2CS(=O)(=O)C[C@H]21)c1ccc(Cl)cc1 1683508352 QVOHUMJWAWXFOZ-KURKYZTESA-N 467.975 2.442 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1689824402 ORYHKIREBANMNA-MSOLQXFVSA-N 453.591 2.323 30 10 JEEE C#CCCCCn1c(-c2ccccc2OC)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1689883937 COVXNNDLSJBSJB-FQEVSTJZSA-N 487.626 2.388 30 10 JEEE C#CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1689887294 WBWFMMPWNGRGII-QGZVFWFLSA-N 468.583 2.102 30 10 JEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@H]1CCCN(Cc2ccccc2)C1 1689910853 SCAURNKXPKXRQX-FPOVZHCZSA-N 458.632 2.403 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CCc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1689977655 AAFSFXAODPCNBX-HXUWFJFHSA-N 475.590 2.205 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CC(=C)Br)[C@@H]1CCS(=O)(=O)C1 1689982942 XOQDEYDSTYVCAR-MRXNPFEDSA-N 465.373 2.489 30 10 JEEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1CC1(N2CCOCC2)CCCCC1 1690057779 HMFAVKWQVHLTEO-UHFFFAOYSA-N 451.575 2.420 30 10 JEEE C#CCN1CCN(c2nnc(-c3nn(CCC)c(=O)c4ccccc34)n2CC(C)(C)COC)CC1 1690122092 FTVFRRPVQIHDPQ-UHFFFAOYSA-N 477.613 2.493 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CCc2cccc(C(=O)N(C)C)c2)CC1 1690137440 YXWZHJWRZJLMQN-UHFFFAOYSA-N 464.614 2.486 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2Cc2snnc2C)CC1 1690148761 SQFDLRBEMBOUID-UHFFFAOYSA-N 453.547 2.182 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1690237977 CXGGIFBRMAGZPU-SWMXPCKBSA-N 450.580 2.368 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(CCC(N)=O)CC1 1690278699 OHLUFCZFGSXEDD-UHFFFAOYSA-N 460.604 2.253 30 10 JEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C[S@@](C)=O)cc2)CC1 1690396523 FFBMLMNRINBKMK-XHDOVSQSSA-N 465.645 2.218 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc(-c2cnn(C)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1690570141 XNZZHLDUMYATBZ-LJQANCHMSA-N 473.578 2.434 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@@H](c2ccccc2C)C1 1690659090 JPQBRAJIGHQHME-HXUWFJFHSA-N 454.575 2.385 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1690715526 NPIOJAXHRPDPSB-NTKDMRAZSA-N 487.626 2.352 30 10 JEEE CCO[C@@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2Cc2cccnc2OCC(F)F)CCOC1 1696050560 BOQMHVJJMAVRCH-SFTDATJTSA-N 466.464 2.459 30 10 JEEE CCO[C@@]1(c2nnc(N3CCN(c4ccccc4C#N)CC3)n2CCC(=O)N[C@H](C)CC)CCOC1 1696079200 BQGGQECQBKUABU-IBVKSMDESA-N 495.628 2.433 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1CC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1705568355 LXOFYYPJQPJMAL-GOSISDBHSA-N 462.547 2.050 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2cccnc2)n1CCN1CCN(C(C)=O)CC1 1705620168 MTEUZMDOWZDIDP-UHFFFAOYSA-N 475.572 2.207 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H](NC(=O)OC(C)(C)C)C(C)C)CC1 1705639696 UNZLDMRGHJEIDG-PMACEKPBSA-N 460.623 2.477 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3OCC)n2CCC(=O)N2CCCCC2)CC1 1705643193 VSUCVEMCSUPONP-UHFFFAOYSA-N 480.613 2.414 30 10 JEEE C=C(Br)Cn1c(N2CCN(C3CC3)[C@@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1705692903 XHECVMWUUBGECA-FXAWDEMLSA-N 465.396 2.404 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCCOc1ccccc1C 1705725511 FHXYAISSSAPTAI-FQEVSTJZSA-N 463.604 2.401 30 10 JEEE C=C(C)COCCn1c(-c2ccc[nH]2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1705734283 JRUWPNXYHRWMGP-HXUWFJFHSA-N 455.607 2.389 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@H]2CSCCS2)c1 1722305053 CHLMLBROIZJREB-IBGZPJMESA-N 484.651 2.419 30 10 JEEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1722326147 OKJHMDNLDNMHMW-QGZVFWFLSA-N 488.390 2.226 30 10 JEEE C#CCN(CC#C)c1nnc(CCc2ccc(OC)cc2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1722385129 AMYFDOHPAHOBAX-ISKFKSNPSA-N 495.649 2.349 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC(=O)N(C)C 1722400783 ZERLNCLPXJKWPV-IBGZPJMESA-N 456.591 2.334 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1CCN1CCOCC1(C)C 1722420388 IQBFVBOWEJTTEM-UHFFFAOYSA-N 479.423 2.243 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(C)cc2OC)CC1 1722441541 SDFSWYKCQZNDLR-UHFFFAOYSA-N 464.595 2.390 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C2CC2)N(C)C)CC1 1722449861 ROVOXCHYLSIJSV-QHCPKHFHSA-N 475.597 2.035 30 10 JEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 1722628958 DKIBICYNKJBNIT-QZTJIDSGSA-N 483.635 2.219 30 10 JEEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCN1CCC(O)CC1 1722640142 JNWUBOWNCLPKSO-LJQANCHMSA-N 464.611 2.056 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1CC1(S(C)(=O)=O)CCC1 1722681500 LDDKFSVKOOOMLG-LJQANCHMSA-N 462.572 2.397 30 10 JEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC(OC[C@H]2CCCCO2)CC1 1722700462 KCMKJHJUQAGPDI-HXUWFJFHSA-N 474.631 2.491 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCc2c(ccnc2O)C1 1722729487 MGAYYWMFBPWIAX-UHFFFAOYSA-N 475.521 2.411 30 10 JEEE CN(Cc1cccc(C#N)c1)c1nnc(-c2ccccn2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1729408407 CXXWUUBLIMOUAO-IBGZPJMESA-N 451.556 2.130 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@](C)(O)CCC)[C@H]1CCS(=O)(=O)C1 1740627985 MEIXMWKDPNXJRN-HTAPYJJXSA-N 464.563 2.174 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1cnn(CC)c1 1740646714 ITJVXZWPTRXACC-UHFFFAOYSA-N 464.599 2.274 30 10 JEEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1CCCn1cc(Br)cn1 1740663428 IYIDMQLIBLLJCI-IBGZPJMESA-N 451.369 2.439 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccn2C)n1CCS(=O)(=O)NC(C)C 1740677342 IRONNCWQEFPMKD-UHFFFAOYSA-N 458.563 2.390 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCO[C@H]1C(C)(C)C 1740685426 FNNNRPSZNICIOF-GUDVDZBRSA-N 452.621 2.108 30 10 JEEE C#CCSCCn1c(COCC)nnc1N1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 1740723654 UJSJTXAGNGEFNY-NRFANRHFSA-N 468.627 2.109 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1740750042 KRIXSXPZQFJYRF-HZPDHXFCSA-N 476.519 2.420 30 10 JEEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1740777690 YNBLOAHPYXDVDQ-JKSUJKDBSA-N 456.613 2.158 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](CNC(C)=O)C1 1740799212 HZGHNQROUKJTBL-UXHICEINSA-N 492.621 2.284 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2cccc(F)c2F)C1 1740978963 AIHCSRSOEAHPSR-IAGOWNOFSA-N 452.527 2.482 30 10 JEEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1Cc1ccnc(OCC(F)(F)F)c1 1742835168 FSBINFCWQNPSSL-AWEZNQCLSA-N 473.463 2.348 30 10 JEEE CCN(CCCn1c(-c2ccccn2)nnc1N1CCN(c2ccccc2C#N)CC1)S(C)(=O)=O 1746309240 GDBFINAASUUXGK-UHFFFAOYSA-N 494.625 2.210 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cn3nc(C)cc3C)n2CCc2noc(CC)n2)c1 1748694241 BUJAJNSNAUBLJS-UHFFFAOYSA-N 487.568 2.384 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2Cc2nccn2C(F)F)c1 1748694859 RIYNISWRUUUOJS-UHFFFAOYSA-N 482.495 2.097 30 10 JEEE C#CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1748735518 QCUIDFWGJGLIFO-UHFFFAOYSA-N 453.547 2.257 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1C[C@@H](C)N1CCN(CC)CC1)[C@@H]1CCS(=O)(=O)C1 1748809252 QUFYAAPYCNRGRZ-ZJSXRUAMSA-N 498.697 2.160 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1cc(OC)ccc1OC)[C@@H]1CCS(=O)(=O)C1 1748815526 RBRMWUPAVYSXCK-WIYYLYMNSA-N 474.583 2.212 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1OCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1748821054 LQLSCVIJPMGUHP-CTNGQTDRSA-N 483.594 2.171 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)NC(CC)CC)n1CC1(N2CCCC2)CCOCC1 1748874695 CKWDZBQWOLGPRU-UHFFFAOYSA-N 454.619 2.304 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1749158336 HJLQANXLWZKHPA-ROUUACIJSA-N 474.635 2.083 30 10 JEEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1749195542 RFGOAAFBVOGOCT-AOMKIAJQSA-N 462.551 2.194 30 10 JEEE C=C(C)COCCn1c(-c2cccnc2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1749220277 CYNPJCMPNJMTBC-NRFANRHFSA-N 467.618 2.456 30 10 JEEE C=CCC(C)(C)Cn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1749370152 DAFZXOABJRXLOW-UHFFFAOYSA-N 473.647 2.409 30 10 JEEE C=CCCOCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCO[C@H](C(=O)NC)C1 1749454598 JNOSAGMBRNWYTN-FQEVSTJZSA-N 452.515 2.144 30 10 JEEE COCC[C@](C)(O)Cn1c(CN2CCCC2=O)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1749612527 FRWSOSDVROPJHS-VWLOTQADSA-N 482.585 2.107 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCNC(=O)c2ccccc2F)C1 1749694044 OMABSGLVTYFWPC-QGZVFWFLSA-N 479.516 2.276 30 10 JEEE CC(C)NC(=O)c1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1CCN1CCN(C)C(C)(C)C1 1750919266 BDRTYRSIWZIOKY-UHFFFAOYSA-N 478.645 2.483 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2Cl)n1CC(=O)NCC1CC1)[C@@H]1CCS(=O)(=O)C1 1760184657 YECCOJQHJXIFPP-MRXNPFEDSA-N 496.420 2.405 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1760357652 KZGGCTSDQZUXOW-GOSISDBHSA-N 455.625 2.015 30 10 JEEE C=CCC(C)(C)Cn1c(-c2noc3c2COCC3)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1760411238 HBLWHTKAFUOWCR-UHFFFAOYSA-N 478.619 2.468 30 10 JEEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1760422265 KEQAYPPVHLTTCG-CRAIPNDOSA-N 450.613 2.294 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1nnc(C)s1 1760483857 FCQIITIXFHDLJY-LBPRGKRZSA-N 453.619 2.351 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1760519673 LJILGNXYXAPRFJ-UHFFFAOYSA-N 464.492 2.451 30 10 JEEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1760526194 HERVSPGJZFSERH-UHFFFAOYSA-N 469.590 2.098 30 10 JEEE C[C@]1(C#N)CCCN(c2nnc(CN3CCCC3=O)n2CCc2ccc(S(C)(=O)=O)cc2)C1 1761545278 ABPMJXQFACPVIC-HSZRJFAPSA-N 470.599 2.177 30 10 JEEE C[C@@H]1CN(CCCn2c(-c3cc(Br)c[nH]3)nnc2N2CCO[C@H](C#N)C2)C[C@@H](C)O1 1763197961 HNCGSHFUXMMCMA-BFYDXBDKSA-N 478.395 2.264 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@H]2c2cc(OC)c(O)c(OC)c2)cc1 1862695575 HEDWCNYYJQOOKX-FQEVSTJZSA-N 470.478 2.132 30 10 JEEE C=CCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1ccc(OCCCCCC)c(OC)c1 1865721798 BOIFMHNETZCFGT-IBGZPJMESA-N 498.580 2.049 30 10 JEEE C=CCN(CC=C)C(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccc(Cl)cc1Cl 1865728771 IOQHJWVVHOXLOL-OAHLLOKOSA-N 477.348 2.286 30 10 JEEE CC[C@H](NC(=O)CCS(=O)(=O)c1ccc(NC(C)=O)cc1)C(=O)Nc1ccc(C#N)cc1 1866808677 ANABXPXUNNAHCS-FQEVSTJZSA-N 456.524 2.214 30 10 JEEE CCN(CC)CCCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CN(CCO)CCO 1870349916 IYHDSUCFHVGAKA-UHFFFAOYSA-N 470.614 2.208 30 10 JEEE COc1ccc2[nH]c(C(=O)O)c(/C=N/n3c(S)nnc(Cc4ccccc4[N+](=O)[O-])c3=O)c2c1 1873494896 HOERANIUPQQSTD-LSHDLFTRSA-N 480.462 2.496 30 10 JEEE CC(C)N1C(=O)CS[C@@H](C(=O)N2CCN(c3ccncn3)CC2)[C@H]1c1ccc(C#N)cc1 1889496363 FGNXQWJMXKTYQO-FGZHOGPDSA-N 450.568 2.091 30 10 JEEE CN[C@@](C#N)(CC1CC1)Cn1cnc(I)c1I 2026498070 SVMVUUFPJFBWDB-LLVKDONJSA-N 456.069 2.374 30 10 JEEE C#CCN(C(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1)[C@H]1CCS(=O)(=O)C1 2059477412 LTCKOINMYBNERJ-YSIASYRMSA-N 464.584 2.134 30 10 JEEE C=C(CS(=O)(=O)N=[S@@](C)(=O)CCNC(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2243427005 OTNKJZIIQAGAGU-NDEPHWFRSA-N 452.404 2.126 30 10 JEEE CSC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2248420638 YBGZUVAYHSDJSF-ZDUSSCGKSA-N 457.427 2.315 30 10 JEEE CC1(C)OB(c2nccnc2C(=O)N[C@]2(C)CCN(C(=O)OCc3ccccc3)C2)OC1(C)C 2256070539 ZFXMUULXKPZMSP-XMMPIXPASA-N 466.347 2.307 30 10 JEEE CC(C)(C)OC(=O)N1[C@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)CCC1(C)C 2256620682 LFVFWTUXVHYADY-LBPRGKRZSA-N 452.386 2.376 30 10 JEEE CC[C@@](C)(CNC(=O)OC(C)(C)C)N(C)C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2267127025 FQHHEZYXMILOSH-QFIPXVFZSA-N 450.389 2.485 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCN(S(=O)(=O)Cc2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2267464057 FLLCAATYJOVFMW-QGZVFWFLSA-N 466.409 2.415 30 10 JEEE CC1(C)OB(c2cscc2S(=O)(=O)NC[C@H]2CCCCN2C(=O)C(F)(F)F)OC1(C)C 2267470923 CXJZMIFDLMSFLL-GFCCVEGCSA-N 482.355 2.269 30 10 JEEE CN(CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)C(=O)C1(B2OC(C)(C)C(C)(C)O2)CC1 2267503350 BZPUAEFERIBPRV-UHFFFAOYSA-N 451.373 2.151 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@]1(F)C[C@@H](NC(=O)OC(C)(C)C)C1 2267575181 CFIBPFVIXUXHHU-FVUUGDKNSA-N 451.348 2.450 30 10 JEEE CC(C)(C)OC(=O)NCC1CC(NS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2267708184 FVVKDCLGUYPVTN-UHFFFAOYSA-N 487.453 2.165 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(CNC(=O)[C@H]2C[C@H](O)CN2C(=O)OC(C)(C)C)s1 2268649786 KTCDBLHTUQIMLG-GOEBONIOSA-N 466.409 2.342 30 10 JEEE COC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)ccc1F 2268671029 ZWLFTMOXIMGJRI-KRWDZBQOSA-N 452.332 2.281 30 10 JEEE C[C@@H](NC(=O)C1(NC(=O)OC(C)(C)C)CC(O)C1)c1nscc1B1OC(C)(C)C(C)(C)O1 2268705349 HNKDNLUQUJNPJX-UGQOVCNZSA-N 467.397 2.038 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@](O)(CNC(=O)c2c(F)cccc2B2OC(C)(C)C(C)(C)O2)C1 2281787964 UTHRFAFPAUNFIV-QHCPKHFHSA-N 464.343 2.227 30 10 JEEE C[C@H]1C[C@@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)CN(C(=O)OC(C)(C)C)C1 2281971192 IJXYYNCRMCTHGE-HOTGVXAUSA-N 462.400 2.342 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@]12CC[C@@H]1CN(C(=O)OC(C)(C)C)C2 2282005981 SIHXATDLYRWJGH-IQMFZBJNSA-N 460.384 2.157 30 10 JEEE Cn1nc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)CC2(F)F)cc1B1OC(C)(C)C(C)(C)O1 2282055646 HMNGNSRWZNLQNQ-CQSZACIVSA-N 470.326 2.094 30 10 JEEE CC(C)(C)OC(=O)NC[C@@]1(O)CCCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2282189410 JUWBXHWSJXCLBF-DEOSSOPVSA-N 460.380 2.478 30 10 JEEE CC(C)(C)OC(=O)N1[C@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C[C@H]2OCC[C@@H]21 2282194020 ULNXPYLKQVDSBM-RYQLBKOJSA-N 461.368 2.211 30 10 JEEE C[C@@H]1CC[C@H](NC(=O)C(F)(F)F)CN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2282343832 RWQGHHVZNVWGAC-HIFRSBDPSA-N 476.326 2.206 30 10 JEEE CCn1cc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2F)nc1B1OC(C)(C)C(C)(C)O1 2282539414 TVYWULBWBCIJPX-GJZGRUSLSA-N 466.363 2.280 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 2282587872 BRCFPBWCDVGMSW-ZBFHGGJFSA-N 462.400 2.403 30 10 JEEE C[C@@H]1CCN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282844660 HBROLVCSQZWLCW-MRXNPFEDSA-N 481.424 2.401 30 10 JEEE CC1(C)OB(c2ccsc2S(=O)(=O)N2C[C@H]3CC[C@H]2[C@@H](NC(=O)C(F)(F)F)C3)OC1(C)C 2282864401 FQXORXQYQTYMMX-UBHSHLNASA-N 494.366 2.267 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H](C(=O)O)[C@@H](C)OCc2ccccc2)n1 2284437424 RHTICPFEAXAPLS-APWZRJJASA-N 454.332 2.478 30 10 JEEE CN[C@H](C#Cc1ccc(Br)cc1)[C@@]1(NC(=O)OC(C)(C)C)CCS(=O)(=O)C1 2296309776 ALKKJDVPNQCCGJ-VQIMIIECSA-N 457.390 2.471 30 10 JEEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@@H](CCO)COCc3ccccc3)s2)OC1(C)C 2320505833 YNTMNNZCYVWQNW-KRWDZBQOSA-N 467.418 2.293 30 10 JEEE CCOc1c(Br)cc(C=Nn2c(CCOC)nnc2SCC(N)=O)cc1OC 2331260002 DFCLATLAFDJJBT-UHFFFAOYSA-N 472.365 2.096 30 10 JEEE COc1cc(/C=N/Nc2nnc(SCC(=O)Nc3ccc(C)cc3C)n2N)cc([N+](=O)[O-])c1O 21326765 ZOHZOYSGSAECDG-LSFURLLWSA-N 486.514 2.408 30 10 JEEE COc1cccc(CN(/C(O)=N/S(=O)(=O)c2ccc(C)cc2)[C@H]2CCS(=O)(=O)C2)c1 39915166 AIRRQWMTDLHNFS-KRWDZBQOSA-N 452.554 2.296 30 10 JEEE COc1ccc(NC(=O)CSc2n[nH]c(N/N=C/c3c(C)nn(CCO)c3C)n2)c(C)c1 59887786 UNPXHDKHCMKWMS-UFFVCSGVSA-N 458.548 2.104 30 10 JEEE N#C[C@@H]1C(=O)Nc2nc(N3CCC4(CC3)OCCO4)[nH]c(=O)c2[C@H]1c1cccc(Br)c1 72444302 LZRDCLHRNQPHIM-GJZGRUSLSA-N 486.326 2.099 30 10 JEEE CC1(C)CC(=O)C2=C(C1)N(C1CCCC1)C(=O)[C@]2(NS(=O)(=O)c1nnc(N)s1)C(F)(F)F 78397558 LDRQDFFSTXQLGR-KRWDZBQOSA-N 493.533 2.128 30 10 JEEE CC(C)(C)NC(=O)CCN(N=Cc1ccc(O)c(C(=O)O)c1)C1=NS(=O)(=O)c2ccccc21 254772433 WBAZZTSVAWPYMK-UHFFFAOYSA-N 472.523 2.180 30 10 JEEE Cc1ccc(-n2c(=C(C#N)C(=O)NC(C)C)sc(=Cc3cnn4ccccc34)c2=O)cc1C 729672013 SYQUXCSKDRWXFU-UHFFFAOYSA-N 457.559 2.191 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)N(C)S(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2C1=O 916990308 LHYYZEKDKXWFGG-UHFFFAOYSA-N 463.855 2.491 30 10 JEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC(C(=O)N3CCc4ccccc43)CC2)cc1 920812294 HVPCSRFKZHFQJZ-UHFFFAOYSA-N 451.548 2.040 30 10 JEEE CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N3CCc4c(C#N)cccc43)CC2)o1 1129913885 HLSZXNVZHGXSCC-UHFFFAOYSA-N 457.508 2.318 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H](C)CN1CCOCC1 1286275458 SEWNIKSWNYHDCI-ROUUACIJSA-N 458.994 2.288 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CC1([S@](C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1286388804 VOJASMDPWIJLRG-JWRCQZCYSA-N 467.016 2.136 30 10 JEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C(=O)NCCCC)CC[C@@H]1C 1286495507 XTNFKTQGKYSSGS-RBUKOAKNSA-N 460.648 2.402 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1286550971 KHWULCJUBPKDIL-NJYVYQBISA-N 470.599 2.316 30 10 JEEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCCN(S(C)(=O)=O)CC1 1286604420 KMLFEPOEVDKYOD-UHFFFAOYSA-N 487.424 2.100 30 10 JEEE C=CCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1286714356 PMWUKLLZKFFNLV-CTNGQTDRSA-N 450.543 2.284 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H]1[C@H]1CCCO1 1286790880 KICSQPBJQVHRFD-GBESFXJTSA-N 490.605 2.037 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(CC(=O)N(C)C)CC1 1286793580 HNNSVNPYBNUDDN-WIYYLYMNSA-N 460.623 2.194 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3noc4c3COCC4)n2CCNC(=O)OC(C)(C)C)C1 1286808540 LYIGPLFMBCJYHG-HNNXBMFYSA-N 460.535 2.312 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCC[C@H](O)C2)c1 1300331924 UQENUTFGYLKIIU-CTNGQTDRSA-N 464.570 2.121 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCC(=O)N1CCCCCC1)[C@@H]1CCS(=O)(=O)C1 1300483618 MGBYEUMNTBQZBW-LJQANCHMSA-N 473.599 2.266 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(Br)cc2Cl)n1CC(=O)N1CCOCC1 1300516868 TYNRKPNTTFIBFH-UHFFFAOYSA-N 476.762 2.293 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CCCCS1(=O)=O 1300535614 KOFUULAICBQUBO-WOJBJXKFSA-N 489.642 2.433 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cc(C)nn1C 1300577914 FJGLPBSMRRKGSI-HXUWFJFHSA-N 467.574 2.140 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@H]2CCOC2)CC1 1300731772 UMYWWIBUCPSVSI-HXUWFJFHSA-N 451.571 2.476 30 10 JEEE C=CC1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCCNS(C)(=O)=O)CC1 1301119009 RVHMPOMDFUBORB-UHFFFAOYSA-N 455.588 2.473 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cc(OC)c(OC)c(OC)c2)C1 1301558713 YAJKJRQHRLBDBQ-ZWKOTPCHSA-N 492.598 2.036 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1301569223 TWNABECDEKXTHR-MDZRGWNJSA-N 452.552 2.365 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1301576634 XJYCSYHHYDRFAZ-HNNXBMFYSA-N 499.540 2.424 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1301584473 AXOMJKJBPSXYBH-UHFFFAOYSA-N 493.655 2.187 30 10 JEEE C[C@](O)(Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1)c1ccsc1 1303879898 BXSCWUBIKYRJPE-QFIPXVFZSA-N 486.623 2.258 30 10 JEEE Cc1cccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H](C(C)C)N2CCOCC2)c1 1304512236 GKGQTGZRHIZPJA-FCHUYYIVSA-N 454.575 2.251 30 10 JEEE C=CCn1c(S)nc2cc(C(=O)NCc3cnc(N4CCOCC4)c(F)c3)ccc2c1=O 1306824131 LULHFQOLWUCGQV-UHFFFAOYSA-N 455.515 2.172 30 10 JEEE C#CCN(C(=O)NCc1cccnc1N1CCOCC1)C1CCN(C(=O)OC(C)(C)C)CC1 1311353041 GQXMWYCHBIUJJF-UHFFFAOYSA-N 457.575 2.463 30 10 JEEE CC(C)(C)OC(=O)N1CCC(C(=O)NCc2cccc(OCC#N)c2)(S(C)(=O)=O)CC1 1353352904 FCZUMROXZJRTII-UHFFFAOYSA-N 451.545 2.019 30 10 JEEE C#CCN(C)c1nnc(CCc2ccc(OC)cc2)n1C[C@]1(N2CCOCC2)CCSC1 1358951721 JEYJGOQFMFADPB-XMMPIXPASA-N 455.628 2.349 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2Cc2cccc(CN(C)C)c2)CC1 1359046270 KVPYMHQEEQRWOP-UHFFFAOYSA-N 471.609 2.340 30 10 JEEE C#CCSCCn1c(-c2cccnc2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1359054428 VOFYZJDEZWGQSH-IBGZPJMESA-N 467.643 2.276 30 10 JEEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1359125831 VJGYTVHJMKYJKQ-ONTIZHBOSA-N 460.623 2.101 30 10 JEEE C=CCCOCCn1c(-c2ccccc2C)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1359225122 NMHBJOMDSGVQNT-UHFFFAOYSA-N 454.575 2.019 30 10 JEEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)Cc1cccc(OC)c1 1359300601 GMUUVQSMLFJFRK-UHFFFAOYSA-N 476.585 2.399 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)NC(CC)CC)nnc1N1CC(=O)N(C)[C@@H](C)C1 1359309356 PMMMHJHTEVTDQA-KRWDZBQOSA-N 454.575 2.477 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2conc2COC)C1 1359314754 HKHSZOYASWLDRG-GOSISDBHSA-N 473.555 2.313 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2CCOC[C@H]2OC)C1 1359315526 WLJIYIMYTHJDSF-SFHLNBCPSA-N 476.599 2.181 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1359328848 PPPXRNRSTMFJFZ-UHFFFAOYSA-N 486.598 2.332 30 10 JEEE CC(=O)NCCN(CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)Cc1ccsc1 1460001221 FPBRBFDMKPPRER-JOCHJYFZSA-N 457.575 2.234 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@](O)(CNC(=O)COc2ccc(C#N)c(Br)c2)C1 1472092191 HQEIFWQINZUBSI-IBGZPJMESA-N 454.321 2.188 30 10 JEEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C(C)=O)C[C@H]1C 1507558952 VPZNGPGKOQMFOV-GOSISDBHSA-N 472.615 2.056 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1CCc1ccc2c(c1)OCCO2)[C@@H]1CCS(=O)(=O)C1 1507623215 PQYNWCXGQFZQLE-IEBWSBKVSA-N 458.584 2.432 30 10 JEEE C#CCN(c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC(=O)N(C)CC)[C@H]1CCS(=O)(=O)C1 1507629484 UMIWNSMLWBDHSS-AEFFLSMTSA-N 489.667 2.236 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC[C@@](C)(O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1507634137 WWFJLEWQXOQKAF-ZILOHOTNSA-N 472.611 2.097 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(=O)N1CCCCC1 1507671269 HZWXJGYANNSIQM-OAQYLSRUSA-N 498.628 2.452 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@H]2CCCCS2(=O)=O)CC1 1507719350 AEUSPXMKSLDKHN-LJQANCHMSA-N 492.443 2.430 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@H]2CC=CCO2)CC1 1507733327 UNQZVQIOMMCCNC-PMACEKPBSA-N 456.591 2.450 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2cnn(CC)c2)CC1 1507734484 NVLYPJKBMDMXMG-UHFFFAOYSA-N 485.390 2.266 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@H]2CCN(CC(F)(F)F)C2)CC1 1507740551 UZERDJITZKMJEA-IBGZPJMESA-N 489.546 2.114 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(CC(N)=O)CC1 1507793683 BKKZXVZNPYEDNH-KNQAVFIVSA-N 487.626 2.422 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(Cc2ccc(OC)c(F)c2)CC1 1508080246 MLTNMQRAPMVGOT-UHFFFAOYSA-N 453.522 2.045 30 10 JEEE Cn1cc(-c2nnc(N3CCC(CC#N)CC3)n2C[C@@H](N2CCOCC2)C(F)(F)F)cn1 1517369887 DTYLCIFACCBAIT-QGZVFWFLSA-N 452.485 2.072 30 10 JEEE COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)c2nccs2)CC1 1518650117 APLUQYDFBXBATH-MRXNPFEDSA-N 451.556 2.372 30 10 JEEE C#CCN(c1nnc(-c2cc3c(s2)CCCCC3)n1CC(=O)N(C)CC)[C@H]1CCS(=O)(=O)C1 1539210991 FNDRDVRFAYNTMN-SFHVURJKSA-N 489.667 2.381 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1Cc1cccc(C(C)(C)O)c1)[C@@H]1CCS(=O)(=O)C1 1539212046 QVRGTVFKWRZKJX-HXUWFJFHSA-N 467.595 2.186 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H]1CCc2ccccc21 1539326114 RZGUNPDKLDVLTM-GMAHTHKFSA-N 481.622 2.194 30 10 JEEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cccc(C(N)=O)c1 1539371223 RBHCRZZCCPNSHN-LJQANCHMSA-N 468.558 2.193 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2cccn(CC)c2=O)CC1 1539470091 JTUBKLPYWGNRGV-UHFFFAOYSA-N 489.536 2.049 30 10 JEEE C#CCSCCn1c(-c2ccccc2F)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1539505162 HYBCXXIGIYUHQL-GOSISDBHSA-N 458.607 2.487 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)CC(C)(C)CN1CCOCC1 1539613086 ULJXXVROQRSETI-PMACEKPBSA-N 462.639 2.192 30 10 JEEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 1539742601 HLKCYRCQSUVUAE-UHFFFAOYSA-N 453.522 2.259 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2CCCCO2)n1CC1(NC(=O)OC(C)(C)C)COC1 1540198546 LPCLIVZIMNCMLR-QGZVFWFLSA-N 451.568 2.452 30 10 JEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2cccc(Cl)c2)C1 1540858155 JLUPYSJORZUKGL-ZWKOTPCHSA-N 467.979 2.028 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1540900222 OMBFAPFGFGJELV-QGZVFWFLSA-N 481.022 2.337 30 10 JEEE Cc1csc([C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCS(=O)(=O)N(C)C)CCO2)n1 1542853497 HQRUTHWBJFBGPF-SFHVURJKSA-N 487.611 2.051 30 10 JEEE CC[C@H](C)[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1545251256 DANROZJIVZPONA-NHZRIVAWSA-N 479.629 2.357 30 10 JEEE CC[C@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCC1(O)CCOCC1 1545545610 AKYASULBJGLSBV-ROUUACIJSA-N 454.579 2.100 30 10 JEEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)CNS(=O)(=O)c1ccc(Br)cc1 1556558047 JDJFWIGYSFFKNR-UHFFFAOYSA-N 457.346 2.418 30 10 JEEE C=C[C@H](C)ONC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N1CCN(CC)CC1 1562080161 BRAQIXVUZMVLDV-KRWDZBQOSA-N 453.609 2.487 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@](C)(O)[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1588041073 UMDQSRPQVBPVDL-GWJPWWOOSA-N 460.600 2.378 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@@](C)(O)c1ccco1)[C@@H]1CCS(=O)(=O)C1 1588059284 LCWXOAVVGKEJNW-NTKDMRAZSA-N 484.578 2.005 30 10 JEEE C#CCN(c1nnc(CSc2ccccc2OC)n1CC1(C)COC1)[C@H]1CCS(=O)(=O)C1 1588074834 SVTSVUGJRFEEFZ-KRWDZBQOSA-N 476.624 2.242 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCC)c(OC)c1 1588229499 XLCHKOUVUWNJJJ-IBGZPJMESA-N 456.568 2.099 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(C)n2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1588629104 XTLMXEPSNYDWRJ-FQEVSTJZSA-N 461.570 2.403 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@@H]2CCCO2)CC1 1588907986 JGRAUIGPPCHOHG-FQEVSTJZSA-N 467.570 2.497 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccc(OC)cc3)n2CCC2(O)CCC2)CC1 1588955269 UMMUPAXGPDIOTB-UHFFFAOYSA-N 465.598 2.343 30 10 JEEE C=C(Cl)Cn1c(-c2noc3c2COCC3)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1593873149 RQFCTDREBXHFEW-CQSZACIVSA-N 480.953 2.488 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(=O)C(C)C)CC1 1594456018 XKDLRABVUBMOMK-MRXNPFEDSA-N 454.641 2.232 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1595593397 COLKBYGZGNTIMB-LJQANCHMSA-N 451.600 2.358 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCOC[C@H]1C 1595799049 WFIQXHAUCVXDGV-MSOLQXFVSA-N 483.635 2.219 30 10 JEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1Cc2cc(Br)cnc2NC1=O 1603410406 GSNOIEROMCWRME-UONOGXRCSA-N 451.321 2.130 30 10 JEEE CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(SC)CCC2)CC1 1615937614 ASVOPWNIAVMFRZ-UHFFFAOYSA-N 453.616 2.361 30 10 JEEE COc1ccncc1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1619471593 DJXSXRSPWJWIJA-FQEVSTJZSA-N 475.553 2.485 30 10 JEEE N#C[C@]1(F)CCN(c2nnc(C(=O)Nc3ccccn3)n2CCn2cc(Br)cn2)C1 1620345631 GQOAQMWAJZSAKJ-GOSISDBHSA-N 474.298 2.027 30 10 JEEE C=CCC1(O)CCN(S(=O)(=O)c2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc2)CC1 1666229831 MLKJNEBGSKAZOU-QZTJIDSGSA-N 456.630 2.445 30 10 JEEE C#CCCCn1c(-c2cccc(Br)c2)nnc1N1CCN(CC(=O)NCC)CC1 1689915286 WRMXJMYHHUHJDN-UHFFFAOYSA-N 459.392 2.379 30 10 JEEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1689920844 LOJIOWHLTORFGR-LJQANCHMSA-N 461.574 2.323 30 10 JEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1C[C@](C)(O)CCOC)[C@H]1CCS(=O)(=O)C1 1689982793 USUMSENSRMEWAD-GHTZIAJQSA-N 466.991 2.013 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1CCN(CC)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1689992699 NXPGZJLGGWKVBM-GOSISDBHSA-N 467.636 2.360 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@]1(O)CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1689993731 KLBVVKIIEXAPQG-ZCVJKFOLSA-N 456.612 2.241 30 10 JEEE C#CCN(CC#CC)c1nnc(COc2cc(C)cc(C)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1690053762 HWVWYDFMHVPPGI-OAQYLSRUSA-N 469.611 2.361 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2Cc2nccn2C(F)F)CC1 1690117859 YEKOXABNSCFIRU-UHFFFAOYSA-N 457.485 2.357 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCOCC(F)F)CC1 1690154415 NOQISQMHZBWYAZ-IEBWSBKVSA-N 467.561 2.444 30 10 JEEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1690163686 NQNAIIICLAXOPH-PXNSSMCTSA-N 488.061 2.349 30 10 JEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 1690180460 GFHAUYQRINNVLZ-UHFFFAOYSA-N 468.631 2.007 30 10 JEEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 1690188469 JLJLOFIQBRGXDJ-PCCBWWKXSA-N 474.675 2.313 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCSC(F)(F)F 1690267008 QKTGQBDSOPSOEO-CYBMUJFWSA-N 457.544 2.266 30 10 JEEE C=C(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1690284519 FUSRSHVJXFJXDF-INIZCTEOSA-N 472.571 2.200 30 10 JEEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 1690490423 ZJQSNDHBDKWHCT-UHFFFAOYSA-N 454.550 2.397 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC2(CC1)CNC(=O)C2 1690660970 RRWIEAHHTUPGHJ-MRXNPFEDSA-N 472.977 2.480 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1690725375 NYLXQENPTAWZOW-APWZRJJASA-N 469.007 2.363 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(C)n1C[C@H](N1CCOCC1)C(F)(F)F 1698048957 DEBFUJCDXQUQNZ-IBGZPJMESA-N 452.481 2.374 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)c1nc(-c2ccccc2)no1 1705477213 KRTYCXYBZZSZHS-HRCADAONSA-N 457.560 2.200 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccc(C#N)o1)[C@H]1CCS(=O)(=O)C1 1705559981 CSOSOIHXSVQCCT-AWEZNQCLSA-N 489.355 2.175 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1705586843 YSAZZCUDAFDKII-SFHVURJKSA-N 466.533 2.360 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1705627368 FHAPAMJCXDDOMQ-CTNGQTDRSA-N 454.575 2.274 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)(C)C)n2C[C@H]2CCCCS2(=O)=O)n1 1705631077 RHNTWBMINSDXLV-LJQANCHMSA-N 462.620 2.026 30 10 JEEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2CCCN2CCCO[C@@H](C)C2)CC1 1705641811 UWFXGRXACBNHCS-QHCPKHFHSA-N 450.631 2.319 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N1CCC(NS(C)(=O)=O)CC1 1705709132 LHZLNCIBDYSLPD-VGOFRKELSA-N 493.605 2.495 30 10 JEEE C=CCC(C)(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1705789782 XEIRIPJXHSOEPE-MRXNPFEDSA-N 470.599 2.418 30 10 JEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(=O)c2ccc(F)cc2)CC1 1705812258 VBWZIDXHSXLCEJ-INIZCTEOSA-N 478.594 2.392 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1705905159 MAXJUCNCGBAINT-QHCPKHFHSA-N 458.994 2.126 30 10 JEEE Cc1cnn(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCN(CC(C)C)C(=O)C2)c1 1707708771 FQCSTVUTQCUNRR-UHFFFAOYSA-N 462.558 2.239 30 10 JEEE CN(C)S(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCCN(c2ccccc2C#N)CC1 1711020986 CTLKTMVMTAIXJJ-UHFFFAOYSA-N 485.658 2.491 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OCC)CCOC3)n2C[C@@](C)(O)C(C)C)c1 1722304646 BNLJWCSTPVHPHY-JWQCQUIFSA-N 469.586 2.393 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCCN2CC)c1 1722307002 YACPKTRBIYDRNM-NRFANRHFSA-N 463.586 2.055 30 10 JEEE C#CCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1722340229 RMTRUEMCYADKJX-UHFFFAOYSA-N 472.977 2.498 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1722364600 LZZXXOHBRQFFGC-FGTMMUONSA-N 463.579 2.134 30 10 JEEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CCc1ccc(F)c(F)c1)[C@H]1CCS(=O)(=O)C1 1722367376 WAPDJXCVTJMUMU-FDDCHVKYSA-N 494.564 2.078 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1Cc1cccnc1OCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1722371941 NJTLZIITROWFIV-QGZVFWFLSA-N 483.516 2.242 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)COc1ccccc1OC 1722397294 OZUZUVORCAEHAA-VQTJNVASSA-N 470.595 2.367 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1C[C@@H]1C 1722419973 FBYHDABBRRNGPR-HQRMLTQVSA-N 461.563 2.046 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2CC[C@H](N2CCOCC2)C(F)(F)F)CC1 1722445425 XPIBTNMDEAZCRZ-MJGOQNOKSA-N 484.567 2.411 30 10 JEEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)c1ccccc1F 1722462768 XWVTVMMBHNWKOR-QFBILLFUSA-N 481.619 2.314 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1CC(=O)NCc1ccco1 1722653804 DIVCEJPZFYTCKS-UHFFFAOYSA-N 473.537 2.488 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCn2ccnc2C1 1722655009 BIYQOQOEHWNHKO-RXVVDRJESA-N 494.625 2.412 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1CC(=O)NCC(F)(F)F 1722681833 UDBIXDXLOANZCC-INIZCTEOSA-N 455.437 2.108 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1722695331 ZZNGORKJFBULCZ-CVEARBPZSA-N 456.572 2.053 30 10 JEEE C=CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1722734070 AAKLMJNALMMKMH-GOSISDBHSA-N 484.669 2.281 30 10 JEEE CS(=O)(=O)N1CCO[C@H](c2nnc(N(CCC#N)CC3CC3)n2CCc2cccc(F)c2)C1 1731012318 GAHTZFRJRHHFNU-FQEVSTJZSA-N 476.578 2.123 30 10 JEEE C#CCSCCn1c(-c2ccccc2F)nnc1N1CCC(CNS(C)(=O)=O)CC1 1740714351 VUZZWBWOSMJAHN-UHFFFAOYSA-N 451.593 2.216 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CN(CC(C)C)CCO1 1740722861 HDSSGDOUFFJBLG-YADARESESA-N 451.575 2.274 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C(CC)CC)N1CCOCC1 1740726226 ZJAMFESYQFRJPA-JXHRLWIKSA-N 480.679 2.017 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1740750091 LQPMRQQWAKMILR-XLIONFOSSA-N 484.561 2.027 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](C)[C@@H](C)C1 1740960097 KYMSUBFLJUTGSR-SQNIBIBYSA-N 462.595 2.371 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2ncc(CC)s2)C1 1740980203 IZJOMNDZWMENJF-JKSUJKDBSA-N 451.618 2.223 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1740987385 FSADFIZZJWNZHE-FDDCHVKYSA-N 460.600 2.493 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(OCCN2CCCC2)cc1 1741129416 DFNNHHOBFXPBHP-RXVVDRJESA-N 451.575 2.348 30 10 JEEE CCOC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1746612061 HZFZBDHEZWORDC-UHFFFAOYSA-N 497.600 2.118 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2)n1CCS(=O)(=O)N1CCSCC1 1748654519 JIWJCJPENAWSTG-OAHLLOKOSA-N 454.021 2.435 30 10 JEEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1CCC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1748805521 TUZWAZBJCRZCTE-LEWJYISDSA-N 471.627 2.361 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Cl)n1CCN1CCOC(C)(C)C1)[C@H]1CCS(=O)(=O)C1 1748809538 NBCUBAACPMKDER-SFHVURJKSA-N 492.045 2.336 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1Cc1ccc(C)nc1)[C@H]1CCS(=O)(=O)C1 1748810701 ZVAAUFDIQGJAFS-FQEVSTJZSA-N 481.578 2.341 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ccc(OCCC)cc1)[C@@H]1CCS(=O)(=O)C1 1748811214 DEKKQFBPVLGKDL-LJQANCHMSA-N 466.567 2.199 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@@H](C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 1748818471 BUHDOYQBZJQMNJ-UGKGYDQZSA-N 473.618 2.367 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCCN(C(C)=O)C1 1748881087 BKHMMCSGABUBBD-FQEVSTJZSA-N 467.595 2.070 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@](C)(O)c2cc(C)oc2C)CC1 1749003693 RVKYYLKYRFVBCH-FTJBHMTQSA-N 499.612 2.014 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CC(C)(C)N2CCC(OC)CC2)CC1 1749016918 PVLNAVJOUVDEJO-UHFFFAOYSA-N 493.656 2.119 30 10 JEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(Cc2ccc(OC)c(F)c2)CC1 1749043570 IZXYFINXWYYOON-UHFFFAOYSA-N 486.617 2.237 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@@H]1C[C@H](OCC)C1(C)C 1749656068 ZIOMMFOIWPJSBE-MOPGFXCFSA-N 475.615 2.291 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1C[C@@H]1CC[C@@H](F)C1 1751220669 FPWBEZNPRYHOKR-CGTJXYLNSA-N 493.584 2.364 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCSCC1 1760117904 VOQCJFAXALAGLN-ZWKOTPCHSA-N 464.636 2.093 30 10 JEEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H](C)CN1CCN(CC)CC1 1760179220 OYMCJMFBRKYNRZ-NJYVYQBISA-N 473.666 2.392 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccc(OC)c(OC(F)F)c1)[C@@H]1CCS(=O)(=O)C1 1760187716 LNESGVFQVOZMBM-IAGOWNOFSA-N 496.536 2.067 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2CCCN2CCCO[C@@H](C)C2)CC1 1760264516 QWEQMRDEKMUCHY-QFIPXVFZSA-N 482.629 2.122 30 10 JEEE C=C(C)COCCn1c(-c2ccc[nH]2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1760354759 MDWTVNVSQVHJPO-OYRHEFFESA-N 469.634 2.492 30 10 JEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](c2cccc(C)c2)N2CCOCC2)CC1 1760382109 IZSCCLXBRNGMRH-RBBKRZOGSA-N 488.658 2.427 30 10 JEEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@H](C)c2nc(CC)no2)CC1 1760427555 DBVXRWWIVROEQI-QZTJIDSGSA-N 477.635 2.365 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc[nH]3)n2CCNS(=O)(=O)c2ccc(C)s2)C1 1760545241 QBVYVQGQKWIYOX-INIZCTEOSA-N 462.601 2.403 30 10 JEEE C[C@@H](CC(N)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@](C)(O)c1ccsc1 1761370619 FSDXDBPSLMTIEJ-OYHNWAKOSA-N 454.556 2.398 30 10 JEEE CCC[C@@H](C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1765470455 BFCZBYBTEHVJKR-XLIONFOSSA-N 472.615 2.383 30 10 JEEE N#C[C@@H]1CN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@@H]2COCCO2)CCO1 1770750969 BGFDHWOVNOODGP-HUUCEWRRSA-N 454.314 2.308 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc3cccnc23)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1772660395 RJEHUPKJWDJTJC-IRXDYDNUSA-N 491.639 2.352 30 10 JEEE COc1ccc2nc(N3CCN(S(=O)(=O)c4ccc5c(c4)CC(=O)N5)CC3)c(C#N)cc2c1 1857959461 AIPGDQSHOZQWOR-UHFFFAOYSA-N 463.519 2.121 30 10 JEEE C=CCN(CC=C)C(=O)[C@H](CCSC)NC(=O)CCS(=O)(=O)c1ccc(OC)c(OC)c1 1868738408 KBYCCODSKWSQMY-SFHVURJKSA-N 484.640 2.306 30 10 JEEE CCCCCCCCCCn1cc(OCC(=O)NCCOC)c(=O)cc1CN1CC(O)C1 1870524580 ANWHTDWMCUJFBG-UHFFFAOYSA-N 451.608 2.307 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O 2060127240 GPNPTTSCJLEKFT-GVDBMIGSSA-N 454.568 2.308 30 10 JEEE CC(C)(C)OC(=O)N1CCC(C(=O)O)(C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)CC1 2120491321 KKZKNMWEHSPIEE-IBGZPJMESA-N 456.543 2.325 30 10 JEEE CN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1)[C@@H]1CC[C@@H]1NC(=O)OCc1ccccc1 2255613629 DGMOTAAOUNLIGK-PKOBYXMFSA-N 468.363 2.249 30 10 JEEE CS[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2255703499 SWYTXXFGGOYWMR-JKSUJKDBSA-N 451.398 2.395 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H]1NS(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2255751824 DOUSQQALGFXFTM-PBHICJAKSA-N 452.382 2.177 30 10 JEEE C[C@@H](CNS(=O)(=O)c1ccc(F)cc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2255793999 GEARNOYQHDABPV-ZDUSSCGKSA-N 458.361 2.316 30 10 JEEE CN(C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CC[C@@H]1NC(=O)OCc1ccccc1 2255879960 XRBLSHAUXBKVDF-RBUKOAKNSA-N 466.347 2.305 30 10 JEEE CC(C)(C)OC(=O)NC1CN(S(=O)(=O)Cc2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2255934230 ZISWXOWMXFQTHC-UHFFFAOYSA-N 452.382 2.025 30 10 JEEE Cn1cc(C(=O)N2CCC[C@@H](NC(=O)OCc3ccccc3)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2264008174 CHNNUALKKKCUDX-GOSISDBHSA-N 468.363 2.250 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@](Oc2nccc(B3OC(C)(C)C(C)(C)O3)c2F)(C(=O)O)C1 2266003449 QUVHIKHEMNQNSZ-OAQYLSRUSA-N 452.288 2.363 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2C[C@H]3CCO[C@@]3(CNC(=O)OC(C)(C)C)C2)C1 2266484491 IIOSDYOOJKNSBK-LFPNWVDXSA-N 463.575 2.435 30 10 JEEE Cc1c(C(=O)NCC[C@H](C)N(C)C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267146313 KDZXDLNWRFDKPC-AWEZNQCLSA-N 450.389 2.403 30 10 JEEE Cc1csc(C(=O)N2C[C@H](O)C[C@H]2CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267150281 CYAWTAIMBYBZEO-LSDHHAIUSA-N 466.409 2.456 30 10 JEEE CC(C)(C)OC(=O)NC1(CO)CCN(C(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)CC1 2267495155 JVVNVUWBTKUQSU-UHFFFAOYSA-N 450.341 2.071 30 10 JEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCC(OCc2ccccc2)CC1 2267717341 BLPHMOGDHLEJGY-UHFFFAOYSA-N 461.393 2.089 30 10 JEEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)N1CCc2sc(B3OC(C)(C)C(C)(C)O3)cc2C1 2268652591 IAGMDENTRAZCGF-CXAGYDPISA-N 466.409 2.206 30 10 JEEE CC(C)(C)OC(=O)NC1CC(O)(CNC(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2F)C1 2281760158 QQRBLDFPZKMDFF-UHFFFAOYSA-N 464.343 2.273 30 10 JEEE Cn1ncc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]3CC[C@H]32)c1B1OC(C)(C)C(C)(C)O1 2281810016 YUYWBBLBKBASSE-UAGQMJEPSA-N 460.384 2.237 30 10 JEEE Cc1c(C(=O)N2CC[C@@](C)(CNC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281985084 HKZHYYYDLOMLND-QHCPKHFHSA-N 462.400 2.405 30 10 JEEE Cn1ncc(C(=O)N2CC[C@@H]3CCN(C(=O)OC(C)(C)C)[C@H]3C2)c1B1OC(C)(C)C(C)(C)O1 2282057078 BSAKGWYHOGCZSI-WBVHZDCISA-N 460.384 2.191 30 10 JEEE CCc1nn(C)c(C(=O)N[C@H](C)C2CN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2282057356 FUSVRSHUMPSYBP-CQSZACIVSA-N 462.400 2.267 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C[C@@]12CCOC2 2282193909 SIPOFPRRKOUQHS-QMHKHESXSA-N 461.368 2.212 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2C(NS(=O)(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)cc3F)[C@H]2C1 2282324887 WKULURBBHVXSBS-GJZGRUSLSA-N 482.383 2.269 30 10 JEEE CC(C)(C)OC(=O)NCCN(CCO)C(=O)c1c(F)cc(B2OC(C)(C)C(C)(C)O2)cc1F 2282565086 DWYARQYAEQWFJC-UHFFFAOYSA-N 470.322 2.223 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@]12CCN(C(=O)OC(C)(C)C)C[C@H]1C2 2282609878 OAPVBTISHUMKPH-CMJOXMDJSA-N 460.384 2.332 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)[C@]2(CCOC2)C1 2282622565 IFYOEKDGCXFDPX-IQMFZBJNSA-N 462.352 2.477 30 10 JEEE Cc1cnc(C(=O)N2CC[C@@H](NC(=O)C(F)(F)F)[C@H](C)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2282644808 NWALNMZIOWUVAE-UKRRQHHQSA-N 455.286 2.218 30 10 JEEE CC(C)(C)OC(=O)NC[C@]1(F)C[C@@H](NS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282828266 LLKUWULUBQVRMZ-GGYDESQDSA-N 485.387 2.055 30 10 JEEE CCn1cc(C(=O)N2C[C@@H]3C[C@]3(CNC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2288253554 YOQLYVGFMHRSOH-WNSKOXEYSA-N 460.384 2.189 30 10 JEEE Cn1cc(C(=O)NC[C@H]2C[C@@H]3CC[C@H]2N3C(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2359277869 BDPGDUKHPZLMLH-HLLBOEOZSA-N 460.384 2.237 30 10 JEEE Cc1cc(C)nc(N/C(=N/C(=S)NCc2ccco2)N2CCC(C(N)=O)(N3CCCCC3)CC2)n1 14161190 VVQUMQDXXVAYSW-UHFFFAOYSA-N 498.657 2.335 30 10 JEEE Cc1ccc(-n2nc(-c3noc(CCC(=O)N(CCC#N)c4ccccc4)n3)c(=O)n(C)c2=O)cc1 35402374 BXJNEBATPUKIJF-UHFFFAOYSA-N 485.504 2.169 30 10 JEEE COc1cccc([C@H]2c3c(nc(NCc4ccc5c(c4)OCCO5)[nH]c3=O)NC(=O)[C@H]2C#N)c1 72472461 SIQLBQNADBUDSN-QFBILLFUSA-N 459.462 2.386 30 10 JEEE CC(=O)OC[C@H](OC(C)=O)[C@@H](OC(C)=O)C1=NN(c2ccccc2)C(=O)/C1=N/Nc1ccccc1 101570605 ZTIAHQDUMNWAFM-SURDDCEXSA-N 480.477 2.284 30 10 JEEE C#CCN(C(=O)c1ccc(NS(=O)(=O)c2ccc(C)c(C)c2)cc1)[C@H]1CCS(=O)(=O)C1 729332518 ZTJPCIXRFKBDJD-FQEVSTJZSA-N 460.577 2.367 30 10 JEEE CC(=NNc1nc(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)n[nH]1)c1ccc(C)cc1 1084053277 LWNCKVCYMKVWHQ-UHFFFAOYSA-N 459.557 2.327 30 10 JEEE Cc1nn(C(C)C)c(C)c1C=NNc1nnc(SCC(=O)NCCc2ccccc2)n1N 1084487985 JGAWQTZLPPQGGW-UHFFFAOYSA-N 455.592 2.283 30 10 JEEE COCCn1cc(C=NNc2nc(SCC(=O)Nc3nc4ccc(OC)cc4s3)n[nH]2)cn1 1084525791 FGFDLTJUHZRDCH-UHFFFAOYSA-N 487.571 2.443 30 10 JEEE Cc1nc(C#N)c(N2CCC(C(=O)N3CCCc4ccc(S(=O)(=O)N(C)C)cc43)CC2)o1 1126494639 HQRLYLURFTWFNZ-UHFFFAOYSA-N 457.556 2.301 30 10 JEEE CCOC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 1127911339 CKWMDSVMKDADPO-IFMALSPDSA-N 459.506 2.368 30 10 JEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 1286315029 TVUMYGVIOYPGRO-IAGOWNOFSA-N 468.624 2.185 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2CCSCC#C)CC1 1286492853 QDTCVNYDWGRXMB-UHFFFAOYSA-N 451.596 2.498 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC[C@@H](C(=O)NC)C2)nnc1[C@]1(OC(C)C)CCOC1 1286561431 FFITXRGFZKQMJF-FDGPYGQJSA-N 461.607 2.262 30 10 JEEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1286693524 SDCQYOXXWLWWRK-INIZCTEOSA-N 451.535 2.466 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CCOC[C@H]1C 1286782066 JMEPNSUKWKVKHK-CYBMUJFWSA-N 450.337 2.244 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](C)C[C@H](C)C1 1286791533 VCSSOOVXTBGRSQ-BZSNNMDCSA-N 462.595 2.371 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1286793405 XILYYJUDWCYWTH-IBGZPJMESA-N 456.616 2.486 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CC)C(C)C 1286820261 IKRQCZYCHFUBJF-KRWDZBQOSA-N 471.624 2.422 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1286820453 LRASGJCYWULNTE-RTBURBONSA-N 475.619 2.016 30 10 JEEE C=CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1286825242 HTDYZTQVNVWINR-CYBMUJFWSA-N 452.382 2.169 30 10 JEEE CC[C@@H](C)N(C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1291773289 FLUUUBVHNKNTKK-OFNKIYASSA-N 499.685 2.104 30 10 JEEE CCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCc1ccc(S(C)(=O)=O)cc1 1293100112 HFEVCBZKVKTQFC-UHFFFAOYSA-N 465.583 2.080 30 10 JEEE CN(C)C(=O)COc1cccc(Cn2c([C@@H]3CCOC3)nnc2N2CCC[C@](C)(C#N)C2)c1 1298016948 FYLOXNUNHJNZNB-NTKDMRAZSA-N 452.559 2.427 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC[C@H](C(F)F)N1CCOCC1 1300284645 UFWNKVKOOMCCQW-VQIMIIECSA-N 481.569 2.163 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OCC)CCOC3)n2CCN2CCC[C@@H]2C)c1 1300330952 FGSKTSWSNMNQIY-FNZWTVRRSA-N 480.613 2.471 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2CC[C@H]2COCCO2)c1 1300335073 ZUIGWBWSTSJKPT-FPOVZHCZSA-N 453.543 2.034 30 10 JEEE C#CCCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1300362811 AGSXFTKFDGKTMV-WIYYLYMNSA-N 473.599 2.360 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1CC1(CCOC)CC1)[C@@H]1CCS(=O)(=O)C1 1300499167 QJYMXRRYESLIGA-LJQANCHMSA-N 460.575 2.451 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1C[C@H]1CN(Cc2ccccc2)CCCO1 1300575171 SLZHCHZGTTXOJV-XMMPIXPASA-N 457.582 2.433 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@]1(C)CN(C)C1=O 1300578871 IXDUOZJGMWXMPA-AREMUKBSSA-N 471.565 2.006 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC(C)(C)C(=O)NCC)CC1 1300681773 AKYVEWYHQXSYSF-GOSISDBHSA-N 456.566 2.475 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)Oc1ccccc1 1300916584 ZBQZHAGQDHAVEJ-ICSRJNTNSA-N 463.604 2.481 30 10 JEEE C=C(C)COCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCN(C(=O)COC)CC1 1300974685 LDBITGVCZHEDAY-UHFFFAOYSA-N 465.558 2.223 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1301295205 VWQJGCIHZQAWLN-ZWKOTPCHSA-N 482.651 2.296 30 10 JEEE C=CCN(c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC[C@@H]1COCCO1)C1CC1 1301316817 NQJIJAOGVAXBAU-LJQANCHMSA-N 461.588 2.156 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1301484090 ACYRCCAOALAVKY-DOMZBBRYSA-N 454.409 2.312 30 10 JEEE CC(C)C(=O)NCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CC[C@](F)(C#N)C1 1302466145 DJUQITCAMURBQA-DEOSSOPVSA-N 480.548 2.450 30 10 JEEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCN(C2CC2)C1 1303781863 BMARXBKEDFTFNY-MJGOQNOKSA-N 472.615 2.082 30 10 JEEE COC(=O)C(C)(C)c1ccc(S(=O)(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)cc1 1309026796 HKAITPPAGHHQMW-UHFFFAOYSA-N 458.540 2.385 30 10 JEEE COc1ccc(S(=O)(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)cc1OC 1309655990 HHYVEIGFSSERMG-UHFFFAOYSA-N 453.524 2.476 30 10 JEEE C#CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@]1(O)CCS(=O)(=O)C1 1358939354 VAXCIOGYZOMWLO-KKSFZXQISA-N 466.991 2.307 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1CCOC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1358964847 IKQUCWVMBNMSAC-HFSMHLIXSA-N 460.575 2.307 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 1359036012 KHSYJHGELYPXFL-WOJBJXKFSA-N 458.607 2.184 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@H]2CCCN2CCCO)CC1 1359038889 OOPMVISJLHOJOB-QHCPKHFHSA-N 466.630 2.076 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(S(=O)(=O)c2ccccc2)CC1 1359151669 YJLLXOOELLAZRE-MRXNPFEDSA-N 485.031 2.375 30 10 JEEE C=C(Cl)Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1359154283 KNFRFFZHNPJZPD-HRAATJIYSA-N 475.041 2.271 30 10 JEEE C=CC1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2nncn2C)CC1 1359178992 ITXJVMKVLDFHNG-QGZVFWFLSA-N 458.567 2.166 30 10 JEEE C=CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CCS(=O)(=O)C1 1359239191 IEAZOQWLWAEQTC-SJORKVTESA-N 453.609 2.450 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@]1(O)CCSC1 1359262116 IEGQFCHGGFQNEX-RDTXWAMCSA-N 457.647 2.010 30 10 JEEE C=CCN(CC=C)c1nnc(-c2noc3c2COCC3)n1Cc1cccc(S(=O)(=O)NC)c1 1359270699 ZKKZQDBJFMTROR-UHFFFAOYSA-N 470.555 2.141 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(c2nc(C)cs2)CC1 1359294435 TVNRNCSGFHADSO-UHFFFAOYSA-N 491.419 2.429 30 10 JEEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCc2cc(OC)c(OC)c(OC)c2CC1 1359301650 GBJQZDJJXSIZSR-UHFFFAOYSA-N 457.575 2.410 30 10 JEEE CC(C)(C)OC(=O)N1CCN([C@@H]2CCCN(C(=O)Cc3ccc(OCC#N)cc3)C2)C(=O)C1 1447977117 BDYKIMUCSCRDID-LJQANCHMSA-N 456.543 2.202 30 10 JEEE C=CCN(CC=C)[C@H](CNC(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)C(C)C 1464868672 GYTAWBWSQLPYCB-RTBURBONSA-N 457.637 2.225 30 10 JEEE CCOC(=O)N[C@H](CC(C)C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](C#N)C1 1502519112 CRZNGIWQBJUYRH-IAGOWNOFSA-N 489.602 2.159 30 10 JEEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2Cc2nccs2)c1 1503408050 AWMMFNJDIYYYAF-IBGZPJMESA-N 461.548 2.142 30 10 JEEE CNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(COC)CCOCC2)CC1 1503762516 GTRUYRYPFXBINF-UHFFFAOYSA-N 452.559 2.222 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(CN2CCCC2=O)n1C[C@H]1CCCN(C(C)=O)C1 1504875641 HHWOGWHJUFQVMO-QHCPKHFHSA-N 493.612 2.184 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1507520850 HHLAQOKWVUUFCJ-APWZRJJASA-N 499.559 2.460 30 10 JEEE C#CCCCCn1c(COc2ccccc2OC)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1507571263 VCAPCUCBASSJSP-NRFANRHFSA-N 480.613 2.412 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1Cc1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1507637369 AOOKARCWVGUXBX-SFHVURJKSA-N 473.530 2.276 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CC=CCO1 1507711347 UIVTXFYPMFHNGO-RTBURBONSA-N 461.563 2.018 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@](C)(O)c2cccc(Cl)c2)CC1 1507718349 CNZFGEUULYNHEY-BJKOFHAPSA-N 474.005 2.247 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCCc2nccs2)CC1 1507735847 IINGVPBCCMANSH-XMMPIXPASA-N 486.642 2.374 30 10 JEEE C#CCSCCn1c(CCc2ccccc2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1507754260 AKZMQXGXJFPWLV-OAQYLSRUSA-N 466.611 2.196 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Br)n1CCNS(C)(=O)=O 1507766434 OVVPFRCTWXPEHW-GOSISDBHSA-N 452.378 2.249 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H](C(N)=O)C1 1507798777 UGGQILJDLVXLQS-VBQJREDUSA-N 463.380 2.339 30 10 JEEE C=C(Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(OC)C1)c1ccccc1 1507850801 BJLPFXGJRNLEKT-OFNKIYASSA-N 475.615 2.330 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCC(N2CCCCC2=O)CC1 1508073873 POTKLYZGNMYYGY-UHFFFAOYSA-N 452.559 2.237 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1508145415 MCHNNTWSQHXLKS-UHFFFAOYSA-N 458.650 2.015 30 10 JEEE CCN(CC)c1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCS(=O)(=O)CC2)cn1 1515524986 BMOXSDSRKQARNV-UHFFFAOYSA-N 465.583 2.341 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCCNc1ccccn1)[C@H]1CCS(=O)(=O)C1 1539211662 JXGHTCVCEUHCRA-FQEVSTJZSA-N 480.594 2.478 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CC(=O)NCc1ccco1)[C@@H]1CCS(=O)(=O)C1 1539212257 OHCTZEYYFAUTKM-HXUWFJFHSA-N 481.578 2.044 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(c2ccccc2)CCOCC1 1539266896 VASUQXJFRMLPSP-HXUWFJFHSA-N 452.580 2.001 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCC(=O)N(CC)CC)CC1 1539470081 JQLHBXOTIVMRNI-UHFFFAOYSA-N 475.597 2.431 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3ccc4ccccc43)n2C[C@H](F)COC)CC1 1539489091 QMZACLBGKZPAPQ-FQEVSTJZSA-N 452.534 2.231 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCc2ccn(C)n2)CC1 1539489180 RNEYILFPHUGTDU-UHFFFAOYSA-N 475.597 2.416 30 10 JEEE C=C(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1539685228 XAAFXRMDOMAZOS-MRXNPFEDSA-N 456.522 2.061 30 10 JEEE CC(=O)N1CCN(CCn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@H](C(C)C)C2)CC1 1541007626 WNKGNMMODFYEHP-QFIPXVFZSA-N 465.602 2.375 30 10 JEEE CCCNC(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1547236439 CLGWGMKHTANNBG-INIZCTEOSA-N 463.546 2.140 30 10 JEEE CCCS(=O)(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCCC2)CC1 1547296391 CYKKZSOSOAIBJC-UHFFFAOYSA-N 471.631 2.211 30 10 JEEE CCS(=O)(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1Cc1ncnn1C(C)(C)C 1548307928 FQAXESIPJMTOIN-UHFFFAOYSA-N 456.576 2.082 30 10 JEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@@H](CCSC)NS(=O)(=O)c1ccc(C)cc1 1583820579 IIESJIUPFPAAQA-GOSISDBHSA-N 454.614 2.199 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cn4ccccc4n3)n2CCCNC(C)=O)c1 1587697443 QBSSBSYLFYFVSY-UHFFFAOYSA-N 484.564 2.099 30 10 JEEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1587803437 ATNZZDHSTZYLPY-UHFFFAOYSA-N 464.618 2.334 30 10 JEEE C#CCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC[C@H](C(=O)NC)C1 1587878678 FAQJAATXYWOBGW-QFIPXVFZSA-N 463.630 2.019 30 10 JEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC(N2CCCNC2=O)CC1 1587879378 SVHJEEDLQNJDTP-UHFFFAOYSA-N 455.588 2.067 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCc1ccc(SC)cc1)[C@H]1CCS(=O)(=O)C1 1588049334 FEZPVKHMXCWICT-IBGZPJMESA-N 470.624 2.270 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1ccnc(SC)c1)[C@@H]1CCS(=O)(=O)C1 1588049944 NZQZPJNQHUAJGU-GOSISDBHSA-N 454.581 2.132 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCCO[C@@H]1C(C)C)[C@@H]1CCS(=O)(=O)C1 1588074855 UCJCJSVXMYTUIX-ITBHCLRTSA-N 494.658 2.080 30 10 JEEE C#CCN(CCOC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC(=O)N1CCOCC1 1588575087 YFUFEOOMIPIGCL-KRWDZBQOSA-N 461.950 2.016 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCC2(O)CCOCC2)CC1 1588762039 DWBMISJUFLFSIU-UHFFFAOYSA-N 461.513 2.233 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2OC)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1589251558 OZLKBWJORGRDSW-WZONZLPQSA-N 473.599 2.139 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(CCOC)C(=O)C1 1589492225 ADHZCBOJGIMJGE-DNVCBOLYSA-N 493.406 2.312 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1589493959 JOXFZHKNKVKTKY-SEDAZVQISA-N 463.623 2.284 30 10 JEEE C=CC[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](CNC(C)=O)C1)c1ccccc1 1594552727 RLAQHOYUWVAWJJ-VXKWHMMOSA-N 466.586 2.102 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCO[C@@]2(CCOC2)C1 1595506880 PACOWFGICGQOID-FQEVSTJZSA-N 480.338 2.145 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCCn2cnnn2)C1 1595674231 ODKSLSZWWKRINN-LJQANCHMSA-N 451.535 2.005 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1595805830 VLCMPWCRDVBYJM-HXUWFJFHSA-N 459.616 2.083 30 10 JEEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)c1 1597823815 NCWWSDOIQYKIMV-GOSISDBHSA-N 451.907 2.479 30 10 JEEE Cc1nc(C)c(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCS(=O)(=O)CC2)s1 1612383170 HFJBPFNDGUROAN-UHFFFAOYSA-N 458.569 2.085 30 10 JEEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(Br)c(C(=O)OC)c2)c1 1616576025 XIYPEZPDRPRGIX-UHFFFAOYSA-N 451.298 2.400 30 10 JEEE COC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2(S(C)(=O)=O)CCC2)C1 1618852748 CXAMGGSOIWPLJB-SFHVURJKSA-N 457.556 2.173 30 10 JEEE Cc1ccc([C@H](CNC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)N2CCOCC2)o1 1676047137 HJZVGNOTAYLDBP-RTWAWAEBSA-N 451.527 2.328 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(COCC(F)(F)F)cc1 1689826870 VYXUYORCOUSLTM-LSDHHAIUSA-N 473.521 2.473 30 10 JEEE C#CCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1689913607 RJCRDGYBZXMTQA-WMZOPIPTSA-N 454.506 2.443 30 10 JEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1689916494 LPXJAIOGHMADDV-FQEVSTJZSA-N 468.583 2.172 30 10 JEEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1689932381 ZESRLLFLMYMWBT-WOJBJXKFSA-N 485.589 2.311 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H](C)Sc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1689978445 VVDVYASNCRITHI-QZTJIDSGSA-N 475.640 2.224 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1CC1(O)CCC1)[C@H]1CCS(=O)(=O)C1 1689982797 USWVRKMRIDDNOZ-INIZCTEOSA-N 466.510 2.088 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1cccc(COC)c1)[C@@H]1CCS(=O)(=O)C1 1689992316 JGQGNLXPHFDFPQ-JOCHJYFZSA-N 465.579 2.085 30 10 JEEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1690003010 AGMJCQBUPRHNRY-DENIHFKCSA-N 483.535 2.045 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H](c1ccco1)N(C)C 1690006656 WDMCLURNLNYHLR-FQEVSTJZSA-N 451.552 2.317 30 10 JEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(c2cc(OC)cc(OC)c2)CC1 1690170996 UEVNNZSHLZYHGM-NRFANRHFSA-N 484.626 2.330 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CC(=O)NCC)CC1 1690241890 YRKGESNHWKBMAX-DENIHFKCSA-N 483.573 2.093 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1ccc(COC)o1 1690288137 JOASNPYGIWXDKV-PKOBYXMFSA-N 465.576 2.268 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(OCC)c(OC)c2)C1 1690699333 CRYWTFLIHVPPCO-OALUTQOASA-N 476.599 2.417 30 10 JEEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)C[C@@H](C)C1 1690729825 STYQCMIAXJPUDV-HZPDHXFCSA-N 451.618 2.353 30 10 JEEE CCN(CC)C(=O)CN1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCO2)CC1 1695588783 HQOYVLZSUDGWIT-JOCHJYFZSA-N 465.602 2.376 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CC[C@@H](C(F)F)N1CCOCC1 1705497964 KYFJHOBFNIIQMJ-MJGOQNOKSA-N 457.529 2.331 30 10 JEEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1CC1(NC(=O)OC(C)(C)C)COC1 1705548170 XXNHKDRGHZEHOX-UHFFFAOYSA-N 479.379 2.409 30 10 JEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCc2nccn2C1 1705552138 VWFGJCOBDUSIJV-MSOLQXFVSA-N 455.563 2.115 30 10 JEEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(c2ccccc2C)CCOCC1 1705604722 SGTFSBHVGIJUSW-LJQANCHMSA-N 459.616 2.405 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1CCC1(O)CCOCC1 1705622330 FNMKPBDRKILDJU-UHFFFAOYSA-N 452.353 2.053 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1ncnn1CC(F)F 1705693023 ANLZSVLGQKUNBT-HNAYVOBHSA-N 487.515 2.400 30 10 JEEE C=C(C)Cn1c(Cc2ccccc2F)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 1705726553 SETSGWFFZPTFDM-UHFFFAOYSA-N 465.595 2.461 30 10 JEEE C=CCCOCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1705827290 ZWNPHCAFELKUFR-AUSIDOKSSA-N 497.600 2.435 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCC(C(=O)OC)CC1 1705898104 AZALSMAHWAYJEW-UHFFFAOYSA-N 471.558 2.433 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccc(NC(N)=O)cc2)C1 1705916653 MMKBWAHXLFUXCQ-XXBNENTESA-N 456.547 2.250 30 10 JEEE C=CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1705945042 BGKPFTGTZJNVPZ-LJQANCHMSA-N 491.687 2.385 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2CC2(S(C)(=O)=O)CCC2)c1 1722305317 PBGWMIDXGATECR-UHFFFAOYSA-N 480.594 2.307 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2C[C@]2(N(C)C)CCSC2)c1 1722307720 VOZQHHYFMYOKLW-HSZRJFAPSA-N 456.616 2.308 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCc1ccc(C=C)cc1)[C@H]1CCS(=O)(=O)C1 1722360734 JGZYRYDFUMRWIZ-NRFANRHFSA-N 450.568 2.191 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1722366062 QRFVGIOKHNBMAO-UXHICEINSA-N 487.626 2.140 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2ccc(F)cc2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1722382396 BVLFYWIJRRYXCG-IRLDBZIGSA-N 469.586 2.285 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(C)CCOCC1 1722383824 KEBAZUCTBMBEBW-IBGZPJMESA-N 457.575 2.476 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCNC(=O)[C@H](C)CCC 1722394180 OWUAYSZMZZBBDT-LJQANCHMSA-N 473.581 2.207 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1C[C@H]1[C@H](C)CCN1C(=O)OC(C)(C)C 1722425429 YKAVOYLKHYBIMM-MJGOQNOKSA-N 457.579 2.410 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1C[C@@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C 1722425430 YKAVOYLKHYBIMM-PKOBYXMFSA-N 457.579 2.410 30 10 JEEE C#CCN(CCOC)c1nnc(Cc2ccccc2C)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1722427414 USNOUAOJOILMSO-PKTZIBPZSA-N 485.654 2.468 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2ccsc2)CC1 1722443718 MONOVZIILQTDSY-UHFFFAOYSA-N 483.619 2.424 30 10 JEEE C=C(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1722523102 AIACXBBRVGPQEY-UHFFFAOYSA-N 481.649 2.019 30 10 JEEE C=C(C)COCCn1c(-c2cccc(Br)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1722528877 LMTCMJLFTAVUHR-QGZVFWFLSA-N 464.364 2.252 30 10 JEEE C=CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ccc(C)n(C)c1=O 1722682030 WKSBITDLBOIAKH-UHFFFAOYSA-N 478.601 2.146 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC2(CCN(C)C2=O)CC1 1722690019 CWURPUKRQNQZEX-QGZVFWFLSA-N 470.549 2.308 30 10 JEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC(CN2CCCCCC2)CC1 1722730561 WLIJZQYJLSSQHR-UHFFFAOYSA-N 492.690 2.094 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1722737207 WXAZMGQCIVGKHY-ZQAYVECASA-N 482.647 2.182 30 10 JEEE Cc1nc(N2CCOCC2)sc1-c1nnc(N(C)[C@H](C)CC#N)n1CCCC(=O)N(C)C 1724091632 HZOOOWQVYYWWTN-OAHLLOKOSA-N 460.608 2.153 30 10 JEEE CCN1CCN([C@H](C)Cn2c(-c3ccc(OC(C)C)c(OC)c3)nnc2N2CCO[C@@H](C#N)C2)CC1 1728600939 ANAMXRJRJTTXKP-IRLDBZIGSA-N 497.644 2.496 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2CC2(O)CC(OCC)C2)c1 1740565276 PYMWDGTZUZLLAX-ITGJCUMNSA-N 453.543 2.116 30 10 JEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCc2sccc2C1 1740574347 KLXZUVRYOWXWEK-GOSISDBHSA-N 463.629 2.429 30 10 JEEE C#CCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1740582215 LISBPUAYITXMOF-QGZVFWFLSA-N 453.515 2.478 30 10 JEEE C#CCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1740598748 BXNRTQGQLYPHCD-CTNGQTDRSA-N 484.626 2.421 30 10 JEEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1CCOCC)[C@@H]1CCS(=O)(=O)C1 1740628415 QCMADKGEECGBOP-QGZVFWFLSA-N 452.964 2.174 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2Cc2cccc(CS(C)(=O)=O)c2)CC1 1740706663 ZBXZJBZDDMBUAE-UHFFFAOYSA-N 469.611 2.104 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1740756302 OVAYCBPBNICKQL-LEWJYISDSA-N 466.586 2.100 30 10 JEEE C=C(C)COCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C2CCC2)CC1 1740788297 QSRJFJGUGDRTDN-UHFFFAOYSA-N 488.658 2.463 30 10 JEEE C=CCN(c1nnc(COc2ccccc2F)n1CC1(O)CCS(=O)(=O)CC1)C1CC1 1740913063 CQGMFTUPRNFUFK-UHFFFAOYSA-N 450.536 2.091 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N(C)Cc1ccc(OC)c(O)c1 1740991372 VHXDLROFSBUZHB-QGZVFWFLSA-N 450.561 2.124 30 10 JEEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](OC)C(C)(C)C)C1 1746551330 DFWNTONCNFYDRO-VQTJNVASSA-N 490.630 2.308 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CCc2csc(C)n2)c1 1748693107 YAQOVBUSRADKQV-LJQANCHMSA-N 463.567 2.293 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCN(CC)C1)[C@H]1CCS(=O)(=O)C1 1748805290 PXJRLPLUUPMYSB-RDJZCZTQSA-N 495.447 2.004 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1ccc(-n2ccnc2C)nc1)[C@@H]1CCS(=O)(=O)C1 1748817021 CKAMRGBMEYJRHY-HXUWFJFHSA-N 481.626 2.431 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1CCc1ccccc1OC(F)F)[C@H]1CCS(=O)(=O)C1 1748817028 CMRKVTVGDMXWHP-ROUUACIJSA-N 480.537 2.253 30 10 JEEE C#CCN(CC#CC)c1nnc(COc2ccccc2OC)n1Cc1ccc(-n2cncn2)nc1 1748902166 CCOJXWNHIXXEDO-UHFFFAOYSA-N 468.521 2.353 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC2([S@@](C)=O)CC2)CC1 1748991232 UBJALXXFMVMRJG-TYFQNXAESA-N 490.674 2.059 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H](C)c2c(C)noc2C)CC1 1749003688 RUINIAJVCNBUFS-GKVSMKOHSA-N 484.601 2.305 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3CC)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1749019216 PGNBNVJPKMCEBT-QFIPXVFZSA-N 492.624 2.300 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OCC2CC2)nc1 1749054240 QHLRNWJDJBEZID-OPAMFIHVSA-N 458.588 2.113 30 10 JEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(CN3CCCC3=O)cc2)CC1 1749286929 VLBRKJNOFAMDFE-SFHVURJKSA-N 472.615 2.215 30 10 JEEE C=CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(CCOC)[C@H](C)C1 1749424410 IBQKXGTWRUGPLP-GOSISDBHSA-N 461.636 2.361 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccc3OC)n2CC(=O)NCC(F)(F)F)C1 1749714758 MBJDHVRIFZLYMW-INIZCTEOSA-N 453.465 2.337 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](c2ccc(F)c(F)c2)C1 1749734151 FJEHGVKITRMASA-QFBILLFUSA-N 468.526 2.239 30 10 JEEE CS(=O)(=O)C1(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCO[C@H](C#N)C2)CCCC1 1750190675 HHNMUZIHJVPGNH-CQSZACIVSA-N 483.392 2.122 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@]2(O)CCCC2(C)C)c1 1760128426 HTWCMFDBUSRCEC-DFBJGRDBSA-N 499.637 2.178 30 10 JEEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1760147724 DVEOCFXCYYOPCT-UHFFFAOYSA-N 469.409 2.357 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCOc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1760186941 BIMKXVCUGOOVOY-LJQANCHMSA-N 451.552 2.354 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1Cc1nc(C)cs1)[C@H]1CCS(=O)(=O)C1 1760189408 INUOUOHOIAPVRV-KRWDZBQOSA-N 459.572 2.448 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2ccccc2OC)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1760204572 VJVOQXCDCCUVDN-VXKWHMMOSA-N 481.622 2.155 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCCN(CC)CC)CC1 1760268190 FOZCFFYUUGWNEM-UHFFFAOYSA-N 490.612 2.292 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCSc1nccs1 1760295105 NCPJILOYQJKCEJ-OXQOHEQNSA-N 496.684 2.242 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC)CC1 1760322720 WVDWBYNYLREKAT-AQNXPRMDSA-N 467.636 2.219 30 10 JEEE C=CCCOCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(C(=O)C(C)C)CC1 1760449865 XIDUGMIWVVXQBS-UHFFFAOYSA-N 465.558 2.491 30 10 JEEE C=CCCOCCn1c(CNC(=O)c2cccs2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1760452658 PZGAVYSZVDUSIC-IRXDYDNUSA-N 458.588 2.110 30 10 JEEE C=CCCOCCn1c(N2C[C@@H]3CCC(=O)N[C@@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1760453460 XEOCRFQGXUFZAP-INDMIFKZSA-N 474.606 2.356 30 10 JEEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN1CCCCC1 1760503420 IJCXQQSSUDRSFT-UHFFFAOYSA-N 451.575 2.317 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@H](C(=O)OC)C1 1760548281 CINFYXSRRXWWGG-HOTGVXAUSA-N 466.535 2.157 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)CC1CCC1 1760550916 NOHBDJKYEAFFOQ-UHFFFAOYSA-N 480.660 2.384 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC2(CC1)COC(=O)N2 1760552016 ZEDZKSXWDCRZLY-UHFFFAOYSA-N 483.953 2.417 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C2CCOCC2)CC1 1760554656 JHHYEOCFRHGAIS-UHFFFAOYSA-N 494.061 2.424 30 10 JEEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(-c2ccccc2Cl)n1CC(=O)N(C)C 1763043625 HBABAZATHYWLBT-HNNXBMFYSA-N 465.949 2.063 30 10 JEEE C#CCN(CC#CC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1772516113 DUVPPDSSKZNYFA-VWLOTQADSA-N 484.622 2.167 30 10 JEEE CS(=O)(=O)NCCCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(C#N)cc1 1860875542 NDJXSAXVJCMVNP-OAQYLSRUSA-N 467.551 2.035 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@@H]2c2ccc(C(=O)O)cc2)cc1F 1862640075 LEXJQNYVIQPWJB-LJQANCHMSA-N 456.426 2.247 30 10 JEEE C=CCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2C)[C@H]1c1cc(OC)c(OC)c(OC)c1 1864331386 OVBOILNQWQQBRZ-CYBMUJFWSA-N 468.432 2.462 30 10 JEEE C=CCOc1ccccc1[C@H]1C(C(=O)N(C)CCO)=C(N)Oc2c1c(C(F)(F)F)nn2C 1865225001 CQHNBZMBLIGSJZ-CQSZACIVSA-N 452.433 2.149 30 10 JEEE CC[C@H](NC(=O)c1ccc2c(c1)C(=O)N(CCCN(C)C)C2=O)C(=O)Nc1ccccc1C#N 1866609920 HJBMSDFLRMODHT-FQEVSTJZSA-N 461.522 2.253 30 10 JEEE CC(=O)Nc1ccc(NC(=O)[C@H](CO)NC(=O)C2CCN([C@@H](C#N)c3cccs3)CC2)cc1 1866866048 CMFDRIOCQMMLSG-PMACEKPBSA-N 469.567 2.099 30 10 JEEE CC(C)[C@@H](NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1)C(=O)N1CCN(c2ncccn2)CC1 1868782568 KIMCQOBBAPIQFD-RBBKRZOGSA-N 495.653 2.304 30 10 JEEE Cc1cc(Cl)ccc1-n1nnc(C#N)c1NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1870155349 IRPIYYIUMJMEBZ-UHFFFAOYSA-N 465.813 2.244 30 10 JEEE CC(C)N1C(=O)CS[C@H](C(=O)N2CC[C@@H](N(C)c3ncccn3)C2)[C@H]1c1ccc(C#N)cc1 1890388599 BIHCPKKPUVZUIN-FCEUIQTBSA-N 464.595 2.479 30 10 JEEE O=C(NCC#CCN1CCc2ccccc2C1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1890658099 HJEIUBZEHUDSFA-UHFFFAOYSA-N 469.582 2.404 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@H](C(=O)Nc3cc(B4OC(C)(C)C(C)(C)O4)ccn3)[C@@H]2C1 2206631993 JPXFRGAIAYLOII-ULQDDVLXSA-N 459.352 2.201 30 10 JEEE CC(C)(C)OC(=O)N1CCOCCN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2255752780 LPJGIOAKSVIZLK-UHFFFAOYSA-N 474.410 2.220 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C1 2256677926 IWOXGDNEGQYAHW-CYBMUJFWSA-N 453.370 2.264 30 10 JEEE Cn1nc(C(=O)NCc2cnc(NC(=O)OC(C)(C)C)s2)cc1B1OC(C)(C)C(C)(C)O1 2267136231 DUFRUPJDUJFFRV-UHFFFAOYSA-N 463.369 2.453 30 10 JEEE CC(C)(C)OC(=O)N1CCCO[C@@H](CNC(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)C1 2267488838 VIGNIBGKYMUTAD-AWEZNQCLSA-N 467.397 2.198 30 10 JEEE CC(C)(C)OC(=O)NCC1(O)CN(C(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2Cl)C1 2267509337 UCOXPEKFDLKNRK-UHFFFAOYSA-N 466.771 2.351 30 10 JEEE Cc1cc(C(=O)NC[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2267536176 ARTMQCHRMPTGHQ-JOCHJYFZSA-N 466.409 2.457 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@H](CCNC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)C1 2267538169 LJKATTDHKNPNCS-CQSZACIVSA-N 467.397 2.198 30 10 JEEE CC1(C)OB(c2cnc(C(=O)N3C[C@H]4C[C@H]3CN4C(=O)C(F)(F)F)c(Cl)c2)OC1(C)C 2267538178 FCXOBZZVSPOWPR-NWDGAFQWSA-N 459.661 2.022 30 10 JEEE C[C@H]1C[C@H](NC(=O)C(F)(F)F)CCN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2267712378 DRZHUQHWDZFODN-NWDGAFQWSA-N 482.355 2.267 30 10 JEEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)[C@H]2C[C@@H]21 2267713356 AOOWVGXECPYXOR-IRXDYDNUSA-N 464.393 2.368 30 10 JEEE CC(C)(C)OC(=O)N1CC(N2CCC[C@@H]2C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C1 2271808065 GISKEYRAGCNXIR-RBBKRZOGSA-N 453.587 2.307 30 10 JEEE Cc1c(C(=O)NCC[C@H]2CCN(C(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281796615 MTHZOTXYCVFEOW-INIZCTEOSA-N 462.400 2.405 30 10 JEEE Cc1c(C(=O)N[C@@H]2C[C@H](NC(=O)OC(C)(C)C)C2(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281989797 DZZUKHDTRLOHKZ-CABCVRRESA-N 462.400 2.449 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](CO)[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)CC1 2281999609 YHGQFINMHWNXKW-LSDHHAIUSA-N 481.424 2.180 30 10 JEEE Cn1cc(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 2282048006 GJLYLJWJKSEUHP-HZPDHXFCSA-N 460.384 2.048 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C2(CC2)C1 2282177000 CWNFDGJAFFGJNE-MRXNPFEDSA-N 458.368 2.295 30 10 JEEE CC(C)(C)OC(=O)N1[C@H](CNC(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)C[C@H]2OCC[C@H]21 2282209971 ZTCYWUIYCGBTQH-USXIJHARSA-N 462.352 2.476 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](NC(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2F)C1 2282414288 QOLCHTRHNBNBKS-IRXDYDNUSA-N 464.343 2.225 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1[C@@H]2CN(S(=O)(=O)Cc3ccc(B4OC(C)(C)C(C)(C)O4)cc3)C[C@@H]21 2282500822 OCWKESZJDKSMGA-BWTSREIZSA-N 478.420 2.271 30 10 JEEE CC(C)(C)OC(=O)N[C@@]12C[C@@H]1CN(S(=O)(=O)c1ccc(F)c(B3OC(C)(C)C(C)(C)O3)c1)C2 2282503401 ZMVFWOUDADJYHC-JLCFBVMHSA-N 482.383 2.413 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCCO[C@H]2[C@H]1NC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2282525912 NRTRTIANPICADW-JSQNDZKTSA-N 479.408 2.243 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1[C@H]2C[C@H]1CN(Cc1ccccc1)C2 2282581322 GPDXVQPFTRXBME-OALUTQOASA-N 450.392 2.278 30 10 JEEE C[C@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 2282626381 BJUDZYUHKFIOJA-HOTGVXAUSA-N 462.400 2.485 30 10 JEEE CC(C)(C)OC(=O)N[C@@]12C[C@@H]1CN(S(=O)(=O)c1ccc(F)cc1B1OC(C)(C)C(C)(C)O1)C2 2282846700 NGXHBXBYRXMOEZ-JLCFBVMHSA-N 482.383 2.413 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@]2(CCCN2C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2283062303 SGRFNHCSUTWWKB-HSZRJFAPSA-N 458.368 2.391 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2283954046 AKYCZLMIQGBYDV-INIZCTEOSA-N 457.340 2.178 30 10 JEEE CC#CCN(CC(=O)N1C[C@H](NC(=O)OC(C)(C)C)CC[C@@H]1C(=O)O)C(=O)OC(C)(C)C 2316057870 QWBPANAKWJDRAN-HZPDHXFCSA-N 453.536 2.216 30 10 JEEE COCc1nnc(SCC(=O)NCc2ccccc2)n1N=Cc1ccc(O)c([N+](=O)[O-])c1 2331612366 MLBRGIDCTWUDPS-UHFFFAOYSA-N 456.484 2.329 30 10 JEEE CNC(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)C1(B2OC(C)(C)C(C)(C)O2)CC1 2343355142 GEKZEXDZECIJSG-OAHLLOKOSA-N 451.373 2.197 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H](NC(=O)OC(C)(C)C)C3(CC3)C2)n1C 2362488385 VWPWPJZCRFSDOG-OAHLLOKOSA-N 460.384 2.157 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@@H]1CN(CCO)C(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2362508224 LMVVXVZCEGWSFB-OAHLLOKOSA-N 481.424 2.276 30 10 JEEE COC(=O)c1[nH]c(C)c(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(F)cc2)c1C 102530285 QJLGWASVVJBBSL-NNWMPZTLSA-N 485.512 2.311 30 10 JEEE COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 102542488 SHTGIWOOTPTZGJ-SADKCHQCSA-N 467.478 2.357 30 10 JEEE COCCN1C(=NNc2cc(OC)c(OC)c(OC)c2)C(=O)C(c2nc3ccccc3[nH]2)=C1N 253371008 ZKVSOCGAJIVBRK-UHFFFAOYSA-N 466.498 2.173 30 10 JEEE C=CCNC(=O)CN1CCN(C(=O)c2ccccc2SCc2nnnn2-c2ccccc2)CC1 512714164 NOBVKZMPUYLPDU-UHFFFAOYSA-N 477.594 2.015 30 10 JEEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)CC1 512714566 UTIKMHFTQHXCJR-QGZVFWFLSA-N 467.397 2.292 30 10 JEEE Cc1ccc(N(CCC(=O)NCCn2cnc(C#N)n2)S(=O)(=O)c2ccc(C)cc2)cc1 1157096938 FINZRDJRKCFLFQ-UHFFFAOYSA-N 452.540 2.168 30 10 JEEE C=C(C)C[C@@H](CO)NC(=O)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 1175917139 JFPAVBFZWXTPHU-ZDUSSCGKSA-N 451.408 2.355 30 10 JEEE C=C(C)CN(C)C(=O)Cn1c(=O)c2c(ncn2Cc2ccccc2)n(Cc2ccccc2)c1=O 1280050096 HYKJVHLLQFFNCS-UHFFFAOYSA-N 457.534 2.491 30 10 JEEE C#CCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1286344401 PNHISTWBKNPWDU-UHFFFAOYSA-N 474.968 2.132 30 10 JEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1CCc1ccccn1)[C@H]1CCS(=O)(=O)C1 1286393813 SERKETMMTBOHHM-QFIPXVFZSA-N 479.606 2.336 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC2(C(N)=O)CCOCC2)CC1 1286475217 SXMMYUFUOBSZKU-UHFFFAOYSA-N 477.396 2.289 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2F)CC1 1286508868 KVSKPCZWEQPFEX-KRWDZBQOSA-N 463.604 2.012 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1286555906 MDEUJPBWSHOIHT-NCYKPQTJSA-N 481.663 2.261 30 10 JEEE C=C(C)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1286592639 ODSBXLOUCNQDDF-YLJYHZDGSA-N 461.588 2.475 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc([S@@](C)=O)cc1 1286607287 FCTGFSGXLRNCQF-VPTFNQTCSA-N 466.629 2.147 30 10 JEEE C=C(Cl)Cn1c(COc2ccc(Br)cc2)nnc1N(C)CCNS(C)(=O)=O 1286632518 BITIGICRUCPSHW-UHFFFAOYSA-N 478.800 2.358 30 10 JEEE C=CC[C@@H](Cn1c(-c2cnccn2)nnc1N1CCN(CC(=O)N(C)C)CC1)c1ccccc1 1286678854 FZBSEVODZYQKOB-NRFANRHFSA-N 460.586 2.305 30 10 JEEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1 1286769132 RIXKPVUJKPNOTP-GJZGRUSLSA-N 456.613 2.204 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2CC[C@@H](N2CCOCC2)C(F)(F)F)C1 1286808993 FSAZEHNGTKBNDP-RCCFBDPRSA-N 459.513 2.217 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(OC)c(OC)c2)C1 1286809181 HATSWWYQRUBYKA-MSOLQXFVSA-N 462.572 2.027 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CC[C@H]2CCN(Cc3ccccc3)[C@H]21 1286814443 SFHKRPVIABAYLE-OFNKIYASSA-N 486.642 2.075 30 10 JEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1300338863 INJYWDISRACLPN-IRXDYDNUSA-N 468.624 2.137 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1CCc1ccccn1)[C@H]1CCS(=O)(=O)C1 1300483867 ONECRMMJQCIYKY-FQEVSTJZSA-N 481.578 2.227 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1CCN1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1300498013 FYAHETNNGHVELV-OAQYLSRUSA-N 473.618 2.367 30 10 JEEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1CCn1c(O)nc2ccccc21 1300590919 IQOJEAWNKXFQFC-UHFFFAOYSA-N 473.562 2.488 30 10 JEEE C#CCN(C(=O)c1ccc(NC(=O)C[C@H]2SC(N3CCCC3)=NC2=O)cc1)C1CSC1 1300608113 VMRUOIZFHQDQJW-GOSISDBHSA-N 456.593 2.300 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C 1300651019 YYXWPNCSQFABDZ-GOSISDBHSA-N 462.595 2.103 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2CC2CCN(C(C)=O)CC2)CC1 1300729226 RGMHJBAYPVQNLA-UHFFFAOYSA-N 454.619 2.235 30 10 JEEE C=C(C)Cn1c(N2CCN(CC(=O)NCc3ccccc3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1300970621 YJDOZIYUVWNXFF-SANMLTNESA-N 482.629 2.333 30 10 JEEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1CCc2ccccc21 1300990884 NEQHHMGXQPWBKC-RTWAWAEBSA-N 475.615 2.327 30 10 JEEE C=CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCN1CCOCC1 1301223238 POTQXJIULHLTTI-LJQANCHMSA-N 464.611 2.321 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@](C)(OC)C1 1301589649 VNCYOVTZNRTBTB-QHCPKHFHSA-N 489.646 2.058 30 10 JEEE C=CCSCCn1c([C@H]2CCCO2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1301624654 XJOSQTLESVHJME-UXHICEINSA-N 456.616 2.397 30 10 JEEE C#CCNS(=O)(=O)N1CCN(C(=O)c2c(-c3ccc(Cl)cc3Cl)noc2C)CC1 1302924528 ORLKJQZKSRYBFD-UHFFFAOYSA-N 457.339 2.182 30 10 JEEE COCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 1316111108 ATPZOKSOSXNAAJ-UHFFFAOYSA-N 495.628 2.192 30 10 JEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](Cc2ccccc2)C1 1358913068 FCVWMKLJMSNUGD-YADHBBJMSA-N 471.627 2.484 30 10 JEEE C#CCN(c1nnc(-c2ccc(Br)cc2)n1C[C@@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1358958785 WAIHERAQGPOUDL-PXNSSMCTSA-N 481.416 2.495 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1cccc(C(C)(C)O)c1)[C@H]1CCS(=O)(=O)C1 1358960816 MLTLLAICAKUQKR-FQEVSTJZSA-N 465.579 2.243 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1CCc1ccc(OC)c(F)c1)[C@H]1CCS(=O)(=O)C1 1358961457 ZNSFCCFYHOOVEG-SFHVURJKSA-N 471.558 2.301 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1ccc(OC(C)C)nc1)[C@H]1CCS(=O)(=O)C1 1358961460 ZOEIOCXROQJSDO-FQEVSTJZSA-N 466.567 2.197 30 10 JEEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1Cc1cccnc1N1CCOCC1 1359012892 BZODTNCURWCAMF-UHFFFAOYSA-N 465.583 2.009 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CC(F)(F)CO1 1359025171 FSLWBPXOSATIEM-IRXDYDNUSA-N 485.532 2.097 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCc2ccc(Br)cc2)CC1 1359028518 VGKCKSUJAQPMJQ-UHFFFAOYSA-N 459.392 2.177 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccccc3Br)n2CC[S@](=O)CC)CC1 1359033614 ISTFYTKGYVEWJF-HHHXNRCGSA-N 450.406 2.231 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccnc(SC)c2)CC1 1359040499 XCTZTZDWTPJJGB-UHFFFAOYSA-N 490.593 2.056 30 10 JEEE C#CCSCCn1c(N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)nnc1C(C)(C)C 1359062382 GEJPKMNZAOEYBX-UHFFFAOYSA-N 471.656 2.334 30 10 JEEE C=C(Br)Cn1c([C@H]2CCOC2)nnc1N1CCC(C(=O)NCCCOC)CC1 1359083647 OGWHVRLEBHFGQZ-INIZCTEOSA-N 456.385 2.060 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1359095695 QSOSWHIVRKXOSU-RXVVDRJESA-N 491.614 2.025 30 10 JEEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(c2cnn(C)c2)CC1 1359122329 MMWHFFVAZHLQFY-LJQANCHMSA-N 472.594 2.223 30 10 JEEE C=C(Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOC)[C@H](CC)C1)c1ccccc1 1359138914 HHLYRUPKWKNCEZ-FGZHOGPDSA-N 473.643 2.441 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCC(Nc2cc(OCC)ncn2)CC1 1359298882 ONNPMGGTSAROGZ-UHFFFAOYSA-N 477.573 2.220 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1359304174 OZQAYOBMGIPJJO-UHFFFAOYSA-N 473.537 2.311 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1359304196 PUMDSZLSABFSGO-YADARESESA-N 455.559 2.160 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC[S@@](=O)C(C)(C)C 1360474105 HMBBHJDJIWXLOI-BBFFTDKLSA-N 455.588 2.478 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)s1 1443729937 LTPJLIBCSTWYAC-OAHLLOKOSA-N 457.618 2.470 30 10 JEEE C=CCN(CCC#N)C(=O)c1cc(S(=O)(=O)NC[C@H]2CCCO2)ccc1Br 1450198913 UPHVEJZDLHDPGQ-CQSZACIVSA-N 456.362 2.448 30 10 JEEE C#CC[C@H](CO)NC(=O)c1cc(I)cc(I)c1 1450526842 NHOOVLMNNVGFEV-LLVKDONJSA-N 455.033 2.010 30 10 JEEE COC(=O)C1CCC(NC(=O)COc2ccc(C#N)c(Br)c2)(C(=O)OC)CC1 1457987902 FNPIZVPSEHMXGE-UHFFFAOYSA-N 453.289 2.091 30 10 JEEE C=CCn1c(S)nc2cc(C(=O)N3CC[C@@H](c4n[nH]cc4C(=O)OCC)C3)ccc2c1=O 1470592169 GUHMZDAVGFYTCE-CQSZACIVSA-N 453.524 2.401 30 10 JEEE CS(=O)(=O)CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCC[C@@H](O)C1)C1CC1 1505133011 BIGLOTHPMPJPBN-AZUAARDMSA-N 473.599 2.293 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C(F)(F)F)cc1 1507538409 MBYPGCBQDBITMT-WMLDXEAASA-N 471.505 2.136 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2Cc2cccnc2OCC)c1 1507550116 FXTFWZHZNYARCB-HXUWFJFHSA-N 473.537 2.127 30 10 JEEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@H](N1CCOCC1)C(F)(F)F 1507603018 KMMUAPFYLMQZKF-SFHVURJKSA-N 483.491 2.303 30 10 JEEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCNC(=O)c1ccco1 1507612775 UXBYFPLVDAAORM-UHFFFAOYSA-N 459.510 2.328 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1cccc(CN(C)C)c1)[C@@H]1CCS(=O)(=O)C1 1507634229 XRARCXBVXYVVLD-FGZHOGPDSA-N 471.627 2.256 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2COc3ccccc3O2)n1CCCN1CCN(CC)CC1 1507671271 IAEAPCASOXVBAW-DEOSSOPVSA-N 462.598 2.281 30 10 JEEE C=C(Br)Cn1c(N2CCN(CCOC)[C@H](C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1507791316 KKUKFSPIOWQYFP-YLJYHZDGSA-N 472.428 2.384 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N(C)Cc1cccc(C(N)=O)c1 1507805640 KNAPKQBKYRDXGL-UGKGYDQZSA-N 452.559 2.117 30 10 JEEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)[C@H]2CCCC[C@@H]21 1507844197 DSYUSDCQHHDPMQ-YRPNKDGESA-N 467.636 2.219 30 10 JEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C)cc2N2CCOCC2)CC1 1507880933 LQNPZVRFQZANCO-LJQANCHMSA-N 474.631 2.238 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(C(F)(F)F)cc1 1508093055 TYJFKBRALRPTHB-HNNXBMFYSA-N 471.505 2.138 30 10 JEEE C=CCNC(=O)Cn1c(N2CC[C@@]3(CCCOC3)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1508099508 ZSVCQQNAWLEVSG-RHGYRFJNSA-N 474.606 2.358 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)Cc1cscn1 1508146575 YXADYUPNJQRBOP-SFHVURJKSA-N 461.569 2.484 30 10 JEEE C/C(=C/c1ccccc1)CN(C)c1nnc(CN2CCCC2=O)n1CCN/C(O)=C1/N=CC=CC1=O 1508169735 MCVKBJWFQKUQAD-IZGAEGEESA-N 489.580 2.467 30 10 JEEE C[C@H](C#N)CN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@H]1CCCN1S(C)(=O)=O 1508409260 AXMOZBGJONSAKF-SJLPKXTDSA-N 468.587 2.355 30 10 JEEE CN(C)C(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(N(C)C)CCCCC2)CC1 1516974350 DCLGAYHRSHTJBX-UHFFFAOYSA-N 478.645 2.291 30 10 JEEE CNC(=O)CC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC2(O)CCOCC2)CC1 1517551343 BZGLIBKYWXXMKT-UHFFFAOYSA-N 452.559 2.101 30 10 JEEE COCc1nc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3cccc(F)c3C#N)CC2)cs1 1518824582 BXQFUEWUULRJTP-UHFFFAOYSA-N 498.588 2.405 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1CC1([S@](C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1539206563 RJAAWKBKJWPRNO-FTDQSSOUSA-N 498.577 2.084 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@@](C)(OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1539229954 JQCUHGIWDBGNIM-WMZHIEFXSA-N 476.574 2.438 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCc2nccn2C1 1539385028 UOJLBKFHXGIKOF-PKOBYXMFSA-N 485.589 2.126 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@H]1CCCS(=O)(=O)C1 1539395901 KAZBGBRYLXIEHU-QZTJIDSGSA-N 464.563 2.468 30 10 JEEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1ccccc1OC(F)(F)F 1539420723 KMNGEUCIWXQZAF-UHFFFAOYSA-N 451.449 2.433 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2CCO[C@@H]2C(=C)C)CC1 1539468917 JZAVSXDFHSEKRM-DRLORSAXSA-N 485.629 2.266 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@@H](c2cccs2)N(C)C)CC1 1539477387 LLHRRDYDIPRNGP-IBGZPJMESA-N 464.599 2.065 30 10 JEEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N(C)C1CCC(NC(C)=O)CC1 1539511635 ZYJIKJUAVNWTNW-UHFFFAOYSA-N 458.588 2.256 30 10 JEEE C=C(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1539689036 ZVQOOHRUCHCKOY-QGZVFWFLSA-N 484.601 2.336 30 10 JEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1539758339 KJWVHEMXCBMJDE-UHFFFAOYSA-N 469.546 2.228 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(c4nc(C(=O)OCC)cs4)CC3)cc2C1=O 1540247115 ZXIFORGPKBTCON-UHFFFAOYSA-N 454.508 2.064 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1540862779 JFBOLTJBUKQDRQ-BXKMTCNYSA-N 483.548 2.345 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H](n2cncn2)C1 1540863090 OXPAIAJBJZURGM-IAGOWNOFSA-N 454.510 2.292 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC(O)(Cc2cccc(C)c2)CC1 1540872794 ANJSIDSKDUATRS-UHFFFAOYSA-N 460.582 2.449 30 10 JEEE CC(=O)N1CCN(CCn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H](C(F)F)C2)CC1 1541005166 LOGLEVUFPJRWHU-FQEVSTJZSA-N 457.529 2.462 30 10 JEEE CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1Cc1cc(C)cc(OC)c1 1548169039 AYJHRVHJGVLNRQ-UHFFFAOYSA-N 464.574 2.420 30 10 JEEE CC#CCS(=O)(=O)c1cccc(C(=O)N(C)[C@H](C)C2CCN(S(=O)(=O)CC)CC2)c1 1556884122 OJAWIOWMZJEBGD-QGZVFWFLSA-N 454.614 2.006 30 10 JEEE C#CCCCCn1c(-c2ccccc2C)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1587745870 AQXFJCQNFSUHBV-UHFFFAOYSA-N 450.587 2.038 30 10 JEEE C#CCN(CC#CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCc1ccn(C)n1 1588245896 UTORVESOYKFGSF-UHFFFAOYSA-N 470.625 2.082 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cnn(CC)c1 1588550780 XTRAXDRABNQSSC-LJQANCHMSA-N 456.547 2.224 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2Cc2ccccc2OCCN(C)C)CC1 1588849111 ZKHBJKKATSOCPI-UHFFFAOYSA-N 459.598 2.008 30 10 JEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@](C)(O)c2ccc(F)cc2)CC1 1594181447 LJGBSLXIOWDCTL-YCRPNKLZSA-N 451.568 2.338 30 10 JEEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1594454285 FETPAWVJONOQQS-KRWDZBQOSA-N 487.692 2.428 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCSCC1 1595100839 VGMNOYHQAVNPLC-OAQYLSRUSA-N 486.667 2.293 30 10 JEEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1595461556 ZEKKVQHLGZTEKA-KRWDZBQOSA-N 468.624 2.396 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(Nc2cccc(C)c2)CC1 1595467763 YYGOJCIDJOKKAU-UHFFFAOYSA-N 451.575 2.206 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2C[C@@](C)(O)C(C)C)C1 1595713868 GPYWRUYVDAGZOB-VGOFRKELSA-N 462.620 2.427 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N(C)Cc1nccs1 1595811957 IKHZSZSWDRHOAR-UHFFFAOYSA-N 457.585 2.210 30 10 JEEE C=C(C)Cn1c(SCC(=O)N[C@@H]2CCCC[C@H]2NS(C)(=O)=O)nnc1-c1ccco1 1645679779 JVWLWMTYCQNNNY-HUUCEWRRSA-N 453.590 2.183 30 10 JEEE C#CCN1CCN(C(=O)CN2CCC(CNC(=O)OC(C)(C)C)(c3ccccc3)CC2)CC1 1660407296 ORXRRWLDBDQXTM-UHFFFAOYSA-N 454.615 2.322 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCNC(=O)c1ccco1 1689852100 AGKKXYGLDGFPAZ-IAGOWNOFSA-N 472.546 2.067 30 10 JEEE C#CCCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1689906584 OSCDYGZIJFQESB-KRWDZBQOSA-N 473.002 2.174 30 10 JEEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)Nc2c(C)cccc2C)CC1 1689907957 QVWXITIPQOJALB-UHFFFAOYSA-N 477.613 2.305 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CC[S@@](=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1689992207 ILMJLUJSHMRQHT-HEJPQYQCSA-N 498.621 2.321 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1OCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1689992649 NQNJYPWVYZAUCY-UXHICEINSA-N 460.575 2.450 30 10 JEEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 1690172966 SHAAARUOGJSSDF-QUCCMNQESA-N 481.688 2.369 30 10 JEEE C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C(C)C)C1 1690228724 DFZYESLIXJJQEJ-JKSUJKDBSA-N 476.441 2.392 30 10 JEEE C=CCn1c(CCc2ccccc2)nnc1N1C[C@@H]2[C@H](C1)[C@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1690646761 KADORTBVNDIEAL-VAMGGRTRSA-N 487.626 2.376 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@](C)(C#N)C1 1690730149 YDDYJUIYXYAKLW-JOCHJYFZSA-N 454.556 2.460 30 10 JEEE Cc1nn(C)c(N2CCN(c3nnc(-c4ccc[nH]4)n3CCN(C)C(=O)OC(C)(C)C)CC2)c1C#N 1693405685 CONWQOBUHLTMCZ-UHFFFAOYSA-N 494.604 2.380 30 10 JEEE CCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1694737986 CKLJDDNZKZBWHY-RTBURBONSA-N 452.607 2.322 30 10 JEEE CCOC(=O)N(C)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1695948908 HVQANBMGFYJGFR-OSPHWJPCSA-N 468.558 2.414 30 10 JEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)c1cccc(O)c1 1705516553 DQDDRXIBKISFKH-PXNSSMCTSA-N 461.588 2.318 30 10 JEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCN1c1cnn(C)c1 1705552055 VDBDUYZIMNEMSP-QUCCMNQESA-N 484.605 2.058 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1CCN1CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1705569627 FGYOSSVWRPGCPU-RBBKRZOGSA-N 455.628 2.288 30 10 JEEE C#CCN(CC)c1nnc(Cc2csc(C)n2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1705615929 NEOWVQVLPMDVBY-MJGOQNOKSA-N 462.645 2.298 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1705661754 IMRXORSGKCWOLJ-AQNXPRMDSA-N 455.609 2.290 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](O)(Cc2cccc(Cl)c2)C1 1705662313 VZVUNNUUVGEZSS-GCJKJVERSA-N 495.070 2.384 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1705898299 HNQJTDGWLQTDMV-SUMWQHHRSA-N 469.464 2.421 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1705902941 MRMYRIIBXRSLGZ-GOSISDBHSA-N 469.977 2.326 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1705937681 BBBAYUXZLLHFND-UHFFFAOYSA-N 489.642 2.461 30 10 JEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(N2CCCCC2=O)CC1 1705946632 MZJMRRWHYBDWSW-QGZVFWFLSA-N 467.661 2.081 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CC1(c2ccc(F)cc2F)CC1 1706870532 DMWFFRKORHZANL-XCLFUZPHSA-N 468.505 2.340 30 10 JEEE CNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](c2ccco2)N(C)C)CC1 1711414620 CYMYPFPVQOLERJ-HXUWFJFHSA-N 478.557 2.086 30 10 JEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCn1cc(Br)cn1 1722349879 FKDVDVBZLQNYKO-UHFFFAOYSA-N 491.419 2.357 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1C[C@@H]1CC(=O)N(c2ccccc2)C1)[C@@H]1CCS(=O)(=O)C1 1722366009 GUUYAWNNCUFJSA-TZIWHRDSSA-N 469.611 2.156 30 10 JEEE C#CCN(c1nnc(C2CCN(c3ncccn3)CC2)n1CCC(C)C)[C@H]1CCS(=O)(=O)C1 1722367330 MSNMIXBNJONXFS-FQEVSTJZSA-N 471.631 2.125 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccccc2Br)n1Cc1ccc(C(N)=O)nc1 1722424114 BLBMLJUKDLMEDR-UHFFFAOYSA-N 469.343 2.336 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCCOc2ccc(C)cc2)CC1 1722440484 HSVVRIZQMULUKU-UHFFFAOYSA-N 466.586 2.160 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](C)c2ccc(F)cc2)CC1 1722440844 LQHPQCCLKITRLF-QGZVFWFLSA-N 454.550 2.325 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@]2(C)CCCO2)CC1 1722443333 GSQPRHCGRITXBO-VWLOTQADSA-N 467.570 2.497 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](c2ccsc2)N(CC)CC)CC1 1722447889 OVYJESCSXXOSFC-NHCUHLMSSA-N 497.669 2.340 30 10 JEEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1722464599 LKWUAUMVRZXYNC-QYZOEREBSA-N 450.605 2.143 30 10 JEEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1722552326 OOCKZPWRRBQABC-YCRPNKLZSA-N 466.970 2.055 30 10 JEEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 1722618969 XWYFIVXHTICIDH-FQEVSTJZSA-N 457.600 2.038 30 10 JEEE C=CCOc1ccc(Cn2c(-c3cccn3C)nnc2N2CCC(NS(C)(=O)=O)CC2)cc1 1722705692 GOURBDLQFKSBPU-UHFFFAOYSA-N 470.599 2.415 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 1722726650 HLZDYHHTEBHKPB-INIZCTEOSA-N 453.609 2.497 30 10 JEEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1722732158 HOERKEPQJNUYOI-IRXDYDNUSA-N 456.682 2.118 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CCC2(CC1)CNC(=O)C2 1722749153 FGHMNDVRFNCFMP-UHFFFAOYSA-N 457.600 2.215 30 10 JEEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(SC)CC2)C1 1728687471 IDLCEVTXONIKRE-GOSISDBHSA-N 476.628 2.142 30 10 JEEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H]1CCCCO1 1729396263 BFZAFXAPSWBXIC-SFTDATJTSA-N 488.614 2.078 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1ccc(OCC(F)(F)F)nc1)[C@@H]1CCS(=O)(=O)C1 1740621898 PXOMKWSVSRYLGI-MRXNPFEDSA-N 494.499 2.284 30 10 JEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1 1740709382 MTSVQNBBPWSRTR-HOTGVXAUSA-N 481.648 2.145 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1740752075 SGGKRXZUTOEIHU-SHJAMOMRSA-N 458.607 2.235 30 10 JEEE C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1740943839 ARGHZBOUHIYQFU-UHFFFAOYSA-N 456.352 2.462 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(c2nc(C)no2)CC1 1740963243 FIHCWLBVWYHBLY-UHFFFAOYSA-N 462.514 2.106 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1740987602 JWDMXANWRJUVAI-HSZRJFAPSA-N 486.598 2.040 30 10 JEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 1741003220 PRRUJAWRAJIYJC-QGZVFWFLSA-N 495.696 2.432 30 10 JEEE Cc1cc([C@@](C)(O)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCS(=O)(=O)CC2)c(C)o1 1742093299 ASHWYXNXXVTTQY-QFIPXVFZSA-N 455.540 2.169 30 10 JEEE CC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](OC)[C@H](OC)C1)N1CCCC1 1744165579 HODKEFQQRVQKHV-FCEUIQTBSA-N 454.575 2.453 30 10 JEEE CCc1ccccc1OCc1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H]1CCCN1S(C)(=O)=O 1744390278 CGUNECGXGODSPP-GCJKJVERSA-N 476.578 2.285 30 10 JEEE CCN(C)C(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1745877816 BWMGOQLYZFXXJU-UHFFFAOYSA-N 458.526 2.444 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(NC(=O)C2CCC2)c1 1748639800 MJPASYDRTXMWDS-CVEARBPZSA-N 458.588 2.133 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2C[C@H](C)CN2CCN(CC)CC2)c1 1748692741 NASKHYQPMNDWIL-FYYLOGMGSA-N 493.656 2.112 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1748808254 IYTZIPDAWCLLBT-WBVHZDCISA-N 467.542 2.123 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1CCC(=O)N1CCCCCC1)[C@H]1CCS(=O)(=O)C1 1748811874 NBGMKGJNDTXBRS-FQEVSTJZSA-N 499.637 2.373 30 10 JEEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1CCCc1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 1748820677 GVDSJUFVUXXPHV-QFIPXVFZSA-N 496.637 2.467 30 10 JEEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCCN1c1cnn(C)c1 1748900996 OJVXPRYDKRCUII-LJQANCHMSA-N 476.610 2.135 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(C(N)=O)CCOCC1 1748925878 OVLASRRNHLVHGX-GOSISDBHSA-N 474.606 2.134 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1Cc1ncnn1C(C)(C)C 1748963859 CKBNVYCZRIRWFA-IBGZPJMESA-N 451.531 2.271 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc2c1OCCCO2 1749053331 GSTYCWUEAQYGQE-OPAMFIHVSA-N 459.572 2.090 30 10 JEEE C=CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1749425154 WYMOFPSRYHDLLV-QGZVFWFLSA-N 485.614 2.159 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC(O)(c2ccccc2)CC1 1749729999 WMHWTNLAAKIBQD-UHFFFAOYSA-N 453.568 2.429 30 10 JEEE CS(=O)(=O)CCn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@](F)(C#N)C1 1750204766 IFTPQFMACDSYET-INIZCTEOSA-N 460.304 2.333 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C)N(C)C2CC2)c1 1760126829 JUOSXBWGSKXEKK-GOSISDBHSA-N 486.580 2.464 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1Cc1cccc(C(F)(F)F)n1)[C@H]1CCS(=O)(=O)C1 1760184996 NMMRIMFBAACOQU-INIZCTEOSA-N 478.500 2.372 30 10 JEEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2CCCN2C[C@@H](C)O[C@H](C)C2)CC1 1760260728 DFQBJCUDOQUWBH-DHIUTWEWSA-N 466.630 2.420 30 10 JEEE C#CCSCCn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1760283148 CMOHFNPAMIVPNP-UHFFFAOYSA-N 498.653 2.013 30 10 JEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1760431739 AIGFKWINNAXODI-INIZCTEOSA-N 461.567 2.192 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(Cc3csc(C)n3)n2CCc2ccc(S(N)(=O)=O)cc2)C1 1760545725 AKTODBZKDUQEEE-IBGZPJMESA-N 488.639 2.305 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N(C)Cc1ccc2c(c1)OCO2 1760556506 FXRSITOHSPNXLU-UHFFFAOYSA-N 455.540 2.230 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(Br)cs1 1772564543 BGRNXVWMIAXKCI-AWEZNQCLSA-N 476.422 2.106 30 10 JEEE Cc1c(C(=O)Nc2c(C#N)nnn2-c2ccc(N3CCN(C)CC3)cc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1870155981 PSKOBTDRBBERFQ-UHFFFAOYSA-N 491.468 2.268 30 10 JEEE C=CCN=c1nc(N2CCN(Cc3ccccc3)CC2)[nH]c(=Nc2ccc(OC)c(OC)c2)[nH]1 1871540751 BDYZNLFWNUOGPM-UHFFFAOYSA-N 461.570 2.396 30 10 JEEE COc1cc(/C=N/n2c(COCc3ccccc3)nnc2SCC(N)=O)cc(OC)c1O 1874354089 QWFGHZCNBYFRAJ-AUEPDCJTSA-N 457.512 2.177 30 10 JEEE CN(C)CCN1CC[C@@H](CNC(=O)C2CCN(c3oc(-c4cccs4)nc3C#N)CC2)C1 1891276088 IWJDPMUBGQIOHB-KRWDZBQOSA-N 456.616 2.491 30 10 JEEE CCCCN(C)S(=O)(=O)c1ccc(C(=O)N2CCC[C@H](Oc3nccnc3C#N)C2)cc1 1892197771 VOKMAFRJBRTYIW-SFHVURJKSA-N 457.556 2.452 30 10 JEEE C[C@H](c1cc(B2OC(C)(C)C(C)(C)O2)cs1)N(C)C(=O)[C@H](CO)NC(=O)OC(C)(C)C 2256614883 PWHPXRQNFIOLJW-HIFRSBDPSA-N 454.398 2.452 30 10 JEEE CC(C)(C)OC(=O)NCC1(O)CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)c(Cl)c2)C1 2267403964 UYCTYIGOXTYUAF-UHFFFAOYSA-N 466.771 2.351 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](NC(=O)c2ccc(Cl)cc2B2OC(C)(C)C(C)(C)O2)C1 2267508932 MTIZLCOGJXOUEC-IRXDYDNUSA-N 466.771 2.349 30 10 JEEE CC[C@@H](CN(C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)c(C)nn1C)NC(=O)OC(C)(C)C 2267511796 IJOKUJRPLKWODM-HNNXBMFYSA-N 450.389 2.403 30 10 JEEE Cc1c(C(=O)NCC(C)(C)N(C)C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267530324 YHLKVUHLECONEE-UHFFFAOYSA-N 450.389 2.403 30 10 JEEE Cc1cc(C(=O)N2C[C@H](O)C[C@@H](NC(=O)OC(C)(C)C)C2)sc1B1OC(C)(C)C(C)(C)O1 2267605584 WDCILOCIKQXACH-HUUCEWRRSA-N 466.409 2.456 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2268645100 SUYRIXJLVIHCFG-PBHICJAKSA-N 450.316 2.434 30 10 JEEE CC(C)(C)OC(=O)N[C@H](C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)C1C[C@H]2C[C@@H]2C1 2268709437 BMHYEFLKERUVIM-BZPMIXESSA-N 464.397 2.137 30 10 JEEE Cc1c(C(=O)NC[C@@H]2C[C@H](C)N(C(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281795545 QCSJPKGVIKUCFC-HOCLYGCPSA-N 462.400 2.403 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@H]1CN(CCO)C(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2281801355 DMQCOKZINFVQPT-HNNXBMFYSA-N 481.424 2.276 30 10 JEEE Cn1cc(C(=O)NC[C@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2281958422 GODZSOKNQIIZRN-CYBMUJFWSA-N 470.326 2.094 30 10 JEEE Cn1cc(C(=O)N2C[C@@H](NC(=O)OC(C)(C)C)CC(F)(F)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2281972603 MTEIPQMDYGJMAH-ZDUSSCGKSA-N 470.326 2.094 30 10 JEEE Cc1nn(C)c(C(=O)N2CC[C@H](C)N(C(=O)OC(C)(C)C)CC2)c1B1OC(C)(C)C(C)(C)O1 2281989462 ZTPFJJNAEOZBRL-HNNXBMFYSA-N 462.400 2.499 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@]2(NC(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)CCC[C@@]2(F)C1 2281991088 WDTIATZIDZKNKB-YADHBBJMSA-N 464.347 2.320 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@H]2C[C@H]1C[C@@H]2NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2282018474 XKTXWCGZOSKVGE-OHFALNGGSA-N 458.368 2.197 30 10 JEEE CC(C)(C)OC(=O)N1CCn2[nH]c(=NC(=O)c3ccoc3B3OC(C)(C)C(C)(C)O3)cc2C1 2282193445 LKZPSQCJXZFRFD-UHFFFAOYSA-N 458.324 2.200 30 10 JEEE Cn1cc(C(=O)N2C[C@H]3CN(C(=O)OC(C)(C)C)CC[C@H]3C2)nc1B1OC(C)(C)C(C)(C)O1 2282547979 UMMSPRAOMGJUIN-JKSUJKDBSA-N 460.384 2.048 30 10 JEEE CC(C)(C)OC(=O)N1C[C@]2(F)CCC[C@@]2(NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2282584208 BUPMEJFFFJAVHZ-FGZHOGPDSA-N 464.347 2.320 30 10 JEEE Cn1cc(C(=O)N[C@@H]2CC23CCN(C(=O)OC(C)(C)C)CC3)c(B2OC(C)(C)C(C)(C)O2)n1 2282584658 FYMFQVBHRALICA-MRXNPFEDSA-N 460.384 2.239 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H]2CN(C(=O)c3nccnc3B3OC(C)(C)C(C)(C)O3)CC[C@H]21 2283068888 MILAXBFVVFEUSG-JKSUJKDBSA-N 458.368 2.247 30 10 JEEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@H]1C[C@]1(C(=O)N=c1nc(B3OC(C)(C)C(C)(C)O3)[nH]s1)C2 2283944285 LFQQKJNUXRLGRR-OKMMYEAHSA-N 476.408 2.376 30 10 JEEE C[C@H](c1nscc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)[C@]1(NC(=O)OC(C)(C)C)C[C@@H](O)C1 2284052532 YHJPSCHNMOXVGL-SOHPYSCWSA-N 481.424 2.380 30 10 JEEE COc1ccc(C(=O)N[C@H](COCc2ccccc2)C(=O)O)cc1B1OC(C)(C)C(C)(C)O1 2284355247 ZVTUNIACCLQKSF-LJQANCHMSA-N 455.316 2.394 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)NCCN(C[C@@H](C)O)C(=O)OC(C)(C)C 2285199091 JQTCWAZMRXEGCD-MRXNPFEDSA-N 463.384 2.037 30 10 JEEE CC1(C)OB(c2ccc(C(=O)N3CCC[C@H](NC(=O)C(F)(F)F)CC3)c(O)c2)OC1(C)C 2286111412 BPUSJQOVGCYENX-AWEZNQCLSA-N 456.270 2.365 30 10 JEEE Cn1cc(C(=O)N2CCC([C@H]3CN(c4ccc(C#N)c(C(F)(F)F)c4)C[C@H]3C(N)=O)CC2)cn1 2297650947 WQVNBPQZDOQVKJ-RTBURBONSA-N 474.487 2.401 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](CNC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)CO1 2337395323 XTOVXOGPJRJBCP-KBPBESRZSA-N 467.397 2.102 30 10 JEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](C(=O)N2CC[C@@](C)(B3OC(C)(C)C(C)(C)O3)C2)C1 2342480244 BETGNPUYNRTOLS-QVKFZJNVSA-N 472.413 2.105 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)n1C 2362338123 CIOWMBZIPWWKHB-JKSUJKDBSA-N 462.400 2.451 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(S(=O)(=O)c4ccccc4Cl)CC3)cc2C1=O 18018302 KLCHXQJNBACONT-UHFFFAOYSA-N 473.938 2.269 30 10 JEEE CCOc1ccc(/C=c2\c(=O)oc3n2-c2oc(N)nc2[C@H](c2ccc(OCC)cc2)C=3C#N)cc1 20176206 FFZYCMBHFOEUIU-NNVROAHOSA-N 470.485 2.447 30 10 JEEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccc(Br)cn3)CC2)cc1 28025313 GAGWTYXPAKBYSK-UHFFFAOYSA-N 465.373 2.271 30 10 JEEE CC(C)NC(=O)CN1CCN(/C(=N\c2cccc(C(=O)O)c2)NCc2ccc(F)cc2)CC1 46022098 FTXFDVOCPGTMTL-UHFFFAOYSA-N 455.534 2.443 30 10 JEEE Cc1nn(CCO)c(C)c1/C=N/Nc1nnc(SCC(=O)Nc2cc(Cl)ccc2Cl)n1N 59914399 CEJWSPWAXAJOPJ-GZIVZEMBSA-N 498.400 2.281 30 10 JEEE C=CCn1c(=O)c2ccc(C(=O)NCC(C)C)cc2n2c(=O)n(CC(=O)N(C)c3ccccc3)nc12 64581555 SUBFLWBDWBEVJJ-UHFFFAOYSA-N 488.548 2.046 30 10 JEEE O=C1C(=O)N(CCCN2CCOCC2)[C@@H](c2ccco2)/C1=C(/O)c1ccc2c(c1)OCCO2 102705753 XBCARJGAUCOCBF-AGGMBTAESA-N 454.479 2.195 30 10 JEEE COc1ccc(Cl)cc1/C(O)=C1/C(=O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccncc1 102755764 XROTVPXVYDFALH-GOBJLOIFSA-N 457.914 2.498 30 10 JEEE O=[N+]([O-])c1cccc(-c2nn(-c3ccccc3)cc2C=NNC(=S)N[C@@H]2CCS(=O)(=O)C2)c1 254893699 CEPDNYZBGLJOKT-QGZVFWFLSA-N 484.563 2.433 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)[C@H](C)[S@@](=O)CC(=O)NCCc3ccccc3)cc21 586312935 ITUGAUIJXXPEMW-IQVDJAOASA-N 454.548 2.277 30 10 JEEE CC(C)C(=O)N1CCC(C(=O)[C@H](C#N)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)CC1 916948021 CEIYQEZUXJMNIU-NRFANRHFSA-N 488.610 2.403 30 10 JEEE COc1cc(CN2CC[C@H](NC(=O)N3CCN(c4cnccc4C#N)CC3)C2)cc(OC)c1 1223528137 HLNJJJNQDXLSFS-FQEVSTJZSA-N 450.543 2.077 30 10 JEEE C#CC[C@@H](CCOC)NC(=O)NC[C@@H](N1CCN(C(=O)OC(C)(C)C)CC1)C(F)(F)F 1227136777 NYZJQPXARZGFKT-JKSUJKDBSA-N 450.502 2.198 30 10 JEEE C#CCN(c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCC(C)C)[C@@H]1CCS(=O)(=O)C1 1286382809 KOSSLTIWUUMELO-GOSISDBHSA-N 492.671 2.219 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1CCc1cn[nH]c1)[C@@H]1CCS(=O)(=O)C1 1286383405 MJVGWHNBHIJPTB-QGZVFWFLSA-N 476.509 2.139 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CCCc1nccs1)[C@@H]1CCS(=O)(=O)C1 1286395779 NGNKMYIELIZNKP-LJQANCHMSA-N 496.618 2.445 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1CCN(CCC)CC1 1286401714 QKCPHVYQGFVNNE-UHFFFAOYSA-N 482.654 2.390 30 10 JEEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1CCS(=O)(=O)N1CCSCC1 1286440728 JKMRYDJEOBWWHJ-UHFFFAOYSA-N 484.047 2.445 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H]2CCCN2CCCO)CC1 1286491127 GIUMCROCHGWWBP-QHCPKHFHSA-N 499.059 2.335 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(c2cnn(CC)c2)CC1 1286546386 IWQMIBRQPMMZPW-LMNJBCLMSA-N 491.662 2.470 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCC[C@@H](S(=O)(=O)N(C)CCOC)C2)nnc1C(C)(C)C 1286561660 FVOSVQOTVHGBSL-ZCNNSNEGSA-N 483.679 2.434 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](OC)c2ccccc2)CC1 1286646953 YKUBNJZIHKGGBU-PMACEKPBSA-N 461.588 2.155 30 10 JEEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(=O)CC2CCCC2)CC1 1286692988 KWXCXJARLIKPQU-GOSISDBHSA-N 466.652 2.474 30 10 JEEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc2c(cc1OC)C[C@H](C)O2)C1CC1 1286731648 CDGJMDVMWJEAQH-GJZGRUSLSA-N 461.588 2.423 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1286781928 DWHIFWWDCUHLEB-YCRPNKLZSA-N 476.375 2.394 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1286783643 XSPMBCYIBXPBGX-HOTGVXAUSA-N 492.983 2.407 30 10 JEEE C=CCOc1ccc(Cn2c(-c3cnccn3)nnc2N(C)C2CCN(S(C)(=O)=O)CC2)cc1 1286794498 IUMKYVIIIGJZSQ-UHFFFAOYSA-N 483.598 2.208 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)c(C)c2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1286824205 XDXOHHDWBQIFLH-SFTDATJTSA-N 487.626 2.322 30 10 JEEE C=CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(CC(=O)NC(C)C)CC1 1286830451 MXIWKMZMEPGHMQ-UHFFFAOYSA-N 496.641 2.160 30 10 JEEE CCOCc1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@H]1CN(CC(C)C)CCO1 1297278658 DGACEJRKZGZGPL-JOCHJYFZSA-N 467.618 2.370 30 10 JEEE CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(C)n(C)c1=O 1297652517 BDLWREFNHVWHEW-KRWDZBQOSA-N 468.583 2.132 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CCN(C)[C@@H](C)CC)c1 1300332268 BCCDOLHNZSRXTA-PXNSSMCTSA-N 451.575 2.016 30 10 JEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(C)(C)CN1CCCC1 1300439291 ABRRPWJHBYLNCX-UHFFFAOYSA-N 458.632 2.387 30 10 JEEE C#CCN(c1nnc(C(C)C)n1Cc1ccccc1CN1CCC(O)CC1)[C@@H]1CCS(=O)(=O)C1 1300484979 SSARAWHPXGGIGZ-JOCHJYFZSA-N 485.654 2.033 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@@H]1CCOC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1300498179 IGMBJFKXPKZIHG-OKZBNKHCSA-N 478.565 2.446 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccnc(OC2CCCC2)c1 1300672092 VRWBNKXVPOEQKU-IBGZPJMESA-N 473.599 2.031 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@@](C)(O)CCC)CC1 1300688409 DVVWFIYTNZWBEB-DEOSSOPVSA-N 457.575 2.277 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1300887732 GIDCZJXVELCQMO-IRLDBZIGSA-N 459.616 2.474 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CC2CCOCC2)CC1 1301577515 PNXRXSMKUAZNRQ-UHFFFAOYSA-N 495.049 2.143 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N(C)CC1COC(C)(C)OC1 1301587813 AARUYTOTQMZOHA-HXUWFJFHSA-N 492.598 2.227 30 10 JEEE C[C@@]1(C#N)CCCN(c2nnc(Cc3ccccc3F)n2CC2(O)CCS(=O)(=O)CC2)C1 1303939438 FLPJLAMQTALXNN-NRFANRHFSA-N 461.563 2.078 30 10 JEEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@H]1CCCCN1CC 1314393319 FDEQXBAKFNPAOR-RTBURBONSA-N 453.595 2.066 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCc1ccc(SC)cc1)[C@@H]1CCS(=O)(=O)C1 1358955648 QQQFBEBVLYYZNU-GOSISDBHSA-N 475.640 2.008 30 10 JEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCN1CCC(C)CC1 1358971156 JZIDUYGMSSTHAG-UHFFFAOYSA-N 467.643 2.351 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@H](C)N2CCOCC2)CC1 1359031459 CJGOCUHUOYZDBO-IBGZPJMESA-N 487.446 2.492 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC2CC(F)(F)C2)CC1 1359035863 GYYDWUYSXPIHIP-GOSISDBHSA-N 480.560 2.387 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2CCCN2C[C@H](C)O[C@@H](C)C2)CC1 1359046278 LMRPHJVUWHTYPX-PMACEKPBSA-N 484.670 2.396 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1CCCN(C)CCCNC(=O)OC(C)(C)C 1359069852 ZZUBWGDYXSRQHY-UQBPGWFLSA-N 487.649 2.458 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1359104115 YFTCUTILDSKVBP-UZKOGDIHSA-N 455.559 2.098 30 10 JEEE C=CC1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@](C)(O)CCOC)CC1 1359175299 GVAIOFTUQUFGAW-HSZRJFAPSA-N 477.631 2.385 30 10 JEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)c1cccc(OC)c1 1359240455 OTHJCZDQAKDTGY-LJQANCHMSA-N 463.604 2.220 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1ccc(C)c(F)c1 1359272290 OJXXEWKAZSHVRB-SFHVURJKSA-N 461.563 2.236 30 10 JEEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCC(N2CCCCC2=O)CC1 1359303831 CAXGTMMMVQKDNE-UHFFFAOYSA-N 466.586 2.449 30 10 JEEE C=CCOc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@@H](C)C2)cc1 1359308763 XZHCWLGKYPHVKV-WIYYLYMNSA-N 475.615 2.460 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCOCC3(CC3)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1359335758 UILAGXHAFPXSEY-HDICACEKSA-N 495.646 2.266 30 10 JEEE C#C[C@@H](NC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCO2)C1CCOCC1 1470311875 KJPVFYULJMODHW-LJQANCHMSA-N 456.520 2.417 30 10 JEEE C#CCCCn1c([C@H]2COc3ccccc3O2)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1507588496 MMITUMLQSAKSHR-GHTZIAJQSA-N 474.583 2.234 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2CCC(C(F)(F)F)CC2)CC1 1507721212 HXIDEJVQKULMLE-GTPINHCMSA-N 476.569 2.012 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@@H](C)C1 1507800876 YZXSKNQANSVMBE-WTGUMLROSA-N 467.636 2.219 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Br)s2)nnc1N1CCN(C)C(=O)[C@H]1C 1508134679 VKAQPRQPJGKXPO-GFCCVEGCSA-N 488.433 2.037 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCOC(C)C 1513396112 HSBGQCXQMWHJIG-UHFFFAOYSA-N 454.579 2.215 30 10 JEEE CC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)N2CCN(CC)CC2)CCN1CCOC 1514137184 DLKIBXWCEZWJAP-RDGATRHJSA-N 494.688 2.390 30 10 JEEE CCOCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1516428426 BPAYXBCVKWHYNB-ZWKOTPCHSA-N 454.579 2.221 30 10 JEEE CCOCc1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1C[C@@H]1CCS(=O)(=O)C1 1516529151 FKLGLLOCTDEHOP-SFHVURJKSA-N 459.572 2.169 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCCN1CCC)[C@H]1CCS(=O)(=O)C1 1539206016 LQZILUDORRXCFI-SFTDATJTSA-N 486.598 2.354 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1C[C@H](c1cccc(C)c1)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1539219692 LYBINTZLCSOYIX-BJKOFHAPSA-N 499.681 2.485 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1ccc(F)cc1F)[C@@H]1CCS(=O)(=O)C1 1539222208 UNNLFBMMVSQIBS-FUHWJXTLSA-N 450.511 2.125 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)c(C)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1539566357 HZUIDYNROOASCT-PKTZIBPZSA-N 458.584 2.016 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(C)CCCO1 1540186836 HNUZEXOWTFMZFU-SIKLNZKXSA-N 479.603 2.008 30 10 JEEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1540864316 WEQOVUWQJRAMPI-OAQYLSRUSA-N 487.612 2.362 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCCN(C(=O)c2cccc(C)c2)CC1 1540872805 AXVURIORVSHBOT-UHFFFAOYSA-N 473.581 2.227 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC(O)(Cc2ccc(F)cc2)CC1 1540902672 OEXKTNDIFJEGGB-FQEVSTJZSA-N 492.617 2.486 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1540903488 CZUBJULESDBFCW-QGZVFWFLSA-N 466.629 2.306 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N(C)CC1COC(C)(C)OC1 1540905940 XNNZFWMMGJXTLY-UHFFFAOYSA-N 466.579 2.444 30 10 JEEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 1568914748 HNYYXAKUBYVTIZ-IBGZPJMESA-N 454.980 2.362 30 10 JEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 1587765768 JSKSRSSEGQSCMA-GOSISDBHSA-N 472.571 2.219 30 10 JEEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1CCc1ccccn1)[C@H]1CCS(=O)(=O)C1 1588069261 KQBHCQDDKIMOMH-FQEVSTJZSA-N 481.578 2.130 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](Cc2ccccc2)OC)CC1 1594097209 NQXUESAREYKRND-NHCUHLMSSA-N 475.615 2.025 30 10 JEEE C=CCNC(=O)Cn1c(N(C)Cc2cc(F)c(F)c(F)c2)nnc1[C@]1(OCC)CCOC1 1595593362 BQIMVSTXPVEZAD-NRFANRHFSA-N 453.465 2.286 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCN(c2cc(F)cc(F)c2)CC1 1595812393 ROJABGJYUCUMKY-UHFFFAOYSA-N 488.564 2.470 30 10 JEEE CCN(Cc1cnn(C)c1)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CC(=O)N(CCOC)C1 1615507798 DACCHVCFGUOOMY-IBGZPJMESA-N 462.558 2.072 30 10 JEEE N#C[C@H]1CN(c2nnc(-c3ccc(F)cc3Br)n2C[C@H]2CCCS(=O)(=O)C2)CCO1 1620354291 BFIGYOBNIQNVIH-HIFRSBDPSA-N 498.378 2.400 30 10 JEEE C#CCN(CC(=O)NC(C)(C)CC(=O)N1CCN(c2ccccc2)CC1)C(=O)OC(C)(C)C 1623897433 RDAANSXOLYTVPK-UHFFFAOYSA-N 456.587 2.490 30 10 JEEE CC(C)N(CC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(=O)OC(C)(C)C 1625120976 AFJMGKQMMMLERS-UHFFFAOYSA-N 450.561 2.037 30 10 JEEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)CNS(=O)(=O)c2ccc3c(c2)COC3)cc1 1625680601 BEIRHRLJUOWQNP-UHFFFAOYSA-N 455.536 2.448 30 10 JEEE C=CCC[C@@H](NC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(C(C)=O)cc1)C(=O)OCC 1635698908 PHSGLWFQGYPCHX-WOJBJXKFSA-N 450.557 2.447 30 10 JEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1ccccc1CC(=O)OC 1640512447 CVOJMNLVZJDSLH-IBGZPJMESA-N 457.552 2.316 30 10 JEEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCO[C@H]3CCN(Cc4ccccc4)C[C@H]32)c1 1670139877 GBPPFPSONLAFHP-PKTZIBPZSA-N 455.580 2.266 30 10 JEEE C=CCS(=O)(=O)CCNC(=O)N1CCC(O)(Cc2ccc(OC(F)(F)F)cc2)CC1 1670882234 HXYJCUPMFZECEP-UHFFFAOYSA-N 450.479 2.265 30 10 JEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1C[C@@H]1CCC[C@@H](O)C1)[C@H]1CCS(=O)(=O)C1 1689993679 JLISDEYUXDZLNJ-BHIFYINESA-N 486.638 2.250 30 10 JEEE C=C(C)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1690295667 IICWDUPUADQLGM-UHFFFAOYSA-N 472.977 2.358 30 10 JEEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2ncc(F)cn2)CC1 1690491745 HNJXDBIMVXINIF-UHFFFAOYSA-N 456.551 2.492 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1690660378 GICPRGKGLPXHSU-GOTSBHOMSA-N 465.646 2.338 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)CNC(=O)OC(C)(C)C)C1 1690684446 GACWEWNIFGBLCQ-QZTJIDSGSA-N 462.595 2.456 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCCN(c2ccc(OC)cc2)CC1 1690722726 TUSTUTRWBMWZNW-UHFFFAOYSA-N 483.598 2.061 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2c(F)cccc2OC)CC1 1690724899 YHWORQGKEPLLTC-GOSISDBHSA-N 493.605 2.247 30 10 JEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1690746725 IEHJQXLDADJYHX-MRXNPFEDSA-N 479.603 2.092 30 10 JEEE CC[C@@H](C)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N(C)C)CC1)OC 1693955746 BURYDWRROHCSHM-WIYYLYMNSA-N 453.591 2.088 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccccc1C)[C@@H]1CCS(=O)(=O)C1 1705560393 GQHDCFIPNPPERE-QPPBQGQZSA-N 472.611 2.302 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCc1c[nH]nc1C 1705591047 DNFLORXLYAPXIK-UHFFFAOYSA-N 479.610 2.323 30 10 JEEE C#CCN(CC#CC)c1nnc(COc2ccc(OC)cc2)n1C[C@@H]1CCCS(=O)(=O)C1 1705601971 DNCWBWLWRLNYQK-IBGZPJMESA-N 456.568 2.153 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2CCNC(=O)c2cccs2)CC1 1705646466 ZDYIVGRGBMXGAC-UHFFFAOYSA-N 462.579 2.402 30 10 JEEE C#CCSCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1705654038 WFBNKIMTSJHHFB-MRXNPFEDSA-N 481.619 2.442 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(c2ccccc2CO)CC1 1705662252 ULGRVZXDTSMLJZ-HXUWFJFHSA-N 474.652 2.423 30 10 JEEE C=CC[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H]1CCOC1)c1ccccc1 1705796964 NUOAFMHWBSXCEC-FCEUIQTBSA-N 489.642 2.444 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1705898613 RGQACNVKLJHDDG-CABCVRRESA-N 480.294 2.263 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(c2cc(F)ccc2F)CC1 1705905220 OAZWNHHKWHMVLD-UHFFFAOYSA-N 453.497 2.171 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(C(=O)c2ccc(C)cc2)CC1 1705934363 KAOLXFULMGBKSG-UHFFFAOYSA-N 457.600 2.417 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2C[C@@]2(OC)CCOC2)c1 1722307576 PMZQWXTYOOHVRC-VWLOTQADSA-N 460.538 2.126 30 10 JEEE C#CCCCn1c(-c2ccc3c(c2)OCO3)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1722329990 OQNOLJFQRIDIKB-SFHVURJKSA-N 460.556 2.117 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1cn(CCCC)nc1C)[C@H]1CCS(=O)(=O)C1 1722364982 JUCIFHZRZMGLRF-QFIPXVFZSA-N 481.626 2.244 30 10 JEEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1ccc(N2CCN(CC)CC2)nc1)[C@@H]1CCS(=O)(=O)C1 1722365402 NPZPWBNUNSPTJJ-RBBKRZOGSA-N 499.685 2.004 30 10 JEEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@@H](CC=C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1722371775 LKTPYNBTEBFQPO-YADHBBJMSA-N 481.622 2.387 30 10 JEEE C#CCN(CCOC)c1nnc(Cc2ccccc2C)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1722427415 USNOUAOJOILMSO-XZOQPEGZSA-N 485.654 2.468 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCOc2c(C)cccc2C)CC1 1722440834 LJDCYXWVTAEGJQ-GMAHTHKFSA-N 453.587 2.453 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@]2(N(C)C)CCC[C@H](C)C2)CC1 1722445730 BFSCRTNRGTWWNC-UQBPGWFLSA-N 466.634 2.155 30 10 JEEE C=C(C)Cn1c(-c2ccccc2F)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1722522733 UZJCQOXLMUINCC-UHFFFAOYSA-N 459.551 2.213 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCC(=O)N2)n1CC1CCS(=O)(=O)CC1 1722660332 SMRGDSWRTMTRMX-LJQANCHMSA-N 461.563 2.386 30 10 JEEE CC(C)Cc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CC(=O)NCC(F)(F)F 1723335791 GEZXXTNFNCAVDR-UHFFFAOYSA-N 463.508 2.349 30 10 JEEE Cc1cc(CN2CCN(c3nnc(COc4ccc(C#N)cc4)n3C[C@H](C)N(C)C)CC2)on1 1726443972 BBUGZLOIXSYGDL-IBGZPJMESA-N 464.574 2.298 30 10 JEEE C#CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN(C(=O)NC)CC1 1740592298 UZDZCSAMQQENDA-UHFFFAOYSA-N 459.595 2.267 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CCCN(C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1740624194 DLPAYHXMAUEMDX-QHCPKHFHSA-N 478.622 2.417 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1cnn(CC(C)C)c1C 1740630181 GGXAYYVJTYARCM-UHFFFAOYSA-N 493.637 2.477 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccccc1OC)N1CCCC1 1740657578 SZRPKJSXLWYTED-GGAORHGYSA-N 495.649 2.489 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCSc2ccc(C)cc2)CC1 1740705669 LATFWLXXYJJKAU-HXUWFJFHSA-N 466.611 2.296 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(S(C)(=O)=O)cc1 1740725148 HTPACZNILSXFHE-PKTZIBPZSA-N 458.584 2.374 30 10 JEEE C=C(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1740783912 ZYBQFLICJGBQFP-BGYRXZFFSA-N 468.650 2.342 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC(C)(C)C)nc1 1740932077 GNBXKAFBGYEJIJ-IBGZPJMESA-N 490.630 2.410 30 10 JEEE C=CCn1c(COc2ccccc2OC)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1740948966 WOBAZOQJXCZROC-PZJWPPBQSA-N 468.602 2.431 30 10 JEEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1740959520 YQDQWEFUJWHQBA-MRXNPFEDSA-N 451.531 2.444 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1740960933 GUPVTUMUCGILKW-LJQANCHMSA-N 497.003 2.222 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCCNC(C)=O)[C@H]1CCS(=O)(=O)C1 1748803886 AXDIKZRSOSCXFV-CTNGQTDRSA-N 487.626 2.188 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ncnn1-c1ccccc1 1748875155 LEVCZGGGPKEIDR-UHFFFAOYSA-N 451.494 2.017 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)OCC(C)C)CC1 1749114405 BRARFKYRFMSQPU-OALUTQOASA-N 462.595 2.312 30 10 JEEE COC[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](N2CCOCC2)C(F)(F)F)C1 1749533269 FPDHAFSMTDNYGN-AZUAARDMSA-N 494.518 2.465 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H]1CCCS(=O)(=O)C1 1749599371 CVVSVQNEHQOVFH-XLIONFOSSA-N 462.572 2.254 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@]2(N(C)C)CCC[C@@H](C)C2)C1 1749696953 FXGSQMLEDMAMGW-VQQMMKBISA-N 468.668 2.180 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cn(C)c3ccccc23)nnc1N(C)Cc1cnccn1 1749730661 MHYPWXYYMDPPGN-UHFFFAOYSA-N 451.556 2.464 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H]1CCS(=O)(=O)C1 1750075839 IDWQBMVGLFJLHY-DLBZAZTESA-N 480.635 2.423 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccncc2Cl)c1 1760128411 HOLLZDKJDLWUSK-IBGZPJMESA-N 463.929 2.382 30 10 JEEE C#CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@@H]1CC(=O)N(CCOC)C1 1760167890 GVNWYIDRXBERDS-OAHLLOKOSA-N 476.375 2.281 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCc1ccccn1)[C@@H]1CCS(=O)(=O)C1 1760180439 FKJXTMCJIDAOCB-HXUWFJFHSA-N 451.552 2.218 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(C)cc1F)[C@@H]1CCS(=O)(=O)C1 1760182102 GNIGJMDJVBBGEJ-GOSISDBHSA-N 482.541 2.048 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1CCOc1ccc(F)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 1760188209 NLVPVHVGVLHJPF-HOTGVXAUSA-N 482.965 2.280 30 10 JEEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1C[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1760191796 NIASYZBXLFHVMZ-VQTJNVASSA-N 458.584 2.137 30 10 JEEE C#CCN(CC#CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@]1(O)CCO[C@H]1C 1760218846 OJBXVWDNRCGIRE-DFBJGRDBSA-N 471.602 2.395 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H]2CC=CCO2)CC1 1760266821 NRWXFNBPILGZLA-GOSISDBHSA-N 487.402 2.357 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCC(C)(F)F)CC1 1760269488 JKRUPFLNGMQCRP-UHFFFAOYSA-N 486.571 2.463 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1760515968 UETNCEFKRQXLMU-FXAWDEMLSA-N 458.994 2.448 30 10 JEEE C[C@H]1CN(C(C)(C)Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(CC#N)CC2)C[C@@H](C)O1 1763025293 BYMIDWZZWCMERO-WSTZPKSXSA-N 478.663 2.198 30 10 JEEE CC[C@@H](C)N(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1763911698 CJNKKRLLUFJYOZ-WIYYLYMNSA-N 474.631 2.472 30 10 JEEE CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@](C)(O)c2ccsc2)CC1 1765632780 AKPTUBBHEARKFW-DEOSSOPVSA-N 479.610 2.044 30 10 JEEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H]2CCC[C@@H](O)C2)c1 1766940539 AYJUIXAGUJQUBP-CECAUBDESA-N 476.578 2.188 30 10 JEEE CCN1CCCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(NS(C)(=O)=O)CC1 1767064370 DBTCRVHVLTUERB-NRFANRHFSA-N 471.631 2.209 30 10 JEEE CN(Cc1ncnn1CC(F)F)c1nnc(-c2cccc(C#N)c2)n1CC(C)(C)N1CCOCC1 1768736612 CNJVJBYDIDXKRN-UHFFFAOYSA-N 485.543 2.421 30 10 JEEE COc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)c(C(F)(F)F)c1 1770199291 CDDBWRJPMDEKRN-KZULUSFZSA-N 490.483 2.406 30 10 JEEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)C(C)(C)C)C[C@H]1C 1771137431 AYEPSMLTQYXFDP-GOSISDBHSA-N 474.631 2.187 30 10 JEEE C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@](O)(COP(=O)(O)O)C1=O 1848437742 FBLFYLWWJUILAQ-JQGIEVFVSA-N 472.446 2.013 30 10 JEEE in-vitro COc1cc([C@@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2CCCNC=O)ccc1O 1862644897 VXMUQWRNLQNVIR-HXUWFJFHSA-N 458.442 2.263 30 10 JEEE Cc1ccc([C@H](C#N)NC(=O)[C@H](CO)NC(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1 1867534965 KQQSOUCRDWOZBX-GOTSBHOMSA-N 482.496 2.267 30 10 JEEE C=CCN(CC=C)c1nc(NC(=O)/C=C/c2ccc(OC)cc2OC)n([C@H]2CCS(=O)(=O)C2)n1 1870002067 AWVWFXQYYBLUIJ-LNENJAERSA-N 487.582 2.485 30 10 JEEE CN(C)c1cccc(-n2nnc(C#N)c2NC(=O)CCCN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)c1 1870155675 ZIJFSRJPUGHUQC-UHFFFAOYSA-N 488.464 2.128 30 10 JEEE C#CCOc1cn(CCc2ccc(S(N)(=O)=O)cc2)c(CNc2ccc(OC)cc2)cc1=O 1871008713 JUXTVPGXAHQEJZ-UHFFFAOYSA-N 467.547 2.371 30 10 JEEE CCN1CCN(CC#CCOC2CCN(S(=O)(=O)Cc3ccc(Cl)cc3)CC2)CC1 1889659303 BGIOGFSCNJTNDD-UHFFFAOYSA-N 454.036 2.292 30 10 JEEE CN(C(=O)OC(C)(C)C)C1CN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2247881191 TZPXIGDSUDDUAL-UHFFFAOYSA-N 458.411 2.287 30 10 JEEE Cc1cc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)sc1B1OC(C)(C)C(C)(C)O1 2255676506 REKIXXHSSXITCK-KGLIPLIRSA-N 452.382 2.066 30 10 JEEE CN(CCNC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2255748011 VPCYCPYSLKPLHR-UHFFFAOYSA-N 458.361 2.270 30 10 JEEE Cn1ncc(C(=O)Nc2nc(CNC(=O)OC(C)(C)C)cs2)c1B1OC(C)(C)C(C)(C)O1 2267003575 QVMADDNVVONVRA-UHFFFAOYSA-N 463.369 2.453 30 10 JEEE CN(C[C@H]1COCCN1C(=O)OC(C)(C)C)C(=O)c1coc(B2OC(C)(C)C(C)(C)O2)c1 2267013731 OHGJMQWARCMUID-INIZCTEOSA-N 450.341 2.287 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2O)s1 2267105159 IEJYEBNBJFNVAA-HZPDHXFCSA-N 466.409 2.456 30 10 JEEE CC(C)(C)OC(=O)NCC[S@@](C)(=O)=NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2267177183 KLKSDGHNVBZSGB-JGCGQSQUSA-N 471.360 2.283 30 10 JEEE CN(C(=O)c1occc1B1OC(C)(C)C(C)(C)O1)[C@]1(CNC(=O)OC(C)(C)C)CCOC1 2267180025 XBXWCFZEMROHIA-QFIPXVFZSA-N 450.341 2.335 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)[C@@](C)(CO)C1 2267286835 RBVUKZRKDVQNBX-JOCHJYFZSA-N 450.341 2.023 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H]1CNS(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2267372276 LYGBYFGCOALTGJ-CVEARBPZSA-N 466.409 2.425 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]1CNS(=O)(=O)c1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2267468772 MUENTBURHAJPIH-SUMWQHHRSA-N 470.372 2.316 30 10 JEEE Cn1nc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H]3C[C@H]32)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2267501789 CVCLFRZXTFODDW-CHWSQXEVSA-N 466.775 2.207 30 10 JEEE Cn1ncc(NC(=O)OC(C)(C)C)c1C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2268636987 AFEJATOVAVDWQX-UHFFFAOYSA-N 463.369 2.453 30 10 JEEE C[C@H]1C[C@@H](CNC(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2281809610 WBTMVKSACUUKTK-HOTGVXAUSA-N 462.400 2.342 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2[C@H](NC(=O)c3ccccc3B3OC(C)(C)C(C)(C)O3)CO[C@H]2C1 2281945253 LMQWEIGSKHMQCA-UHOSZYNNSA-N 458.364 2.350 30 10 JEEE C[C@@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)C[C@@]1(C)CNC(=O)OC(C)(C)C 2281979372 CVFWKFQEVLSNGC-IQMFZBJNSA-N 462.400 2.342 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)OCC12CC2 2282195714 QFNUTBRJWNKSLU-HNNXBMFYSA-N 462.352 2.477 30 10 JEEE C[C@@H](NS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2282287764 FCZZXUONCCLVPV-CVEARBPZSA-N 481.424 2.305 30 10 JEEE C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1N(C)C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282552357 POKFVBUQQDLWIW-DOTOQJQBSA-N 462.400 2.437 30 10 JEEE Cc1c(C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282592838 IQLHGZFDTSFPIY-GDBMZVCRSA-N 462.400 2.403 30 10 JEEE Cc1c(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282598633 MGJQWNLTSMEJAO-HOCLYGCPSA-N 462.400 2.403 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](CO)[C@@H](NC(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)CC1 2282634011 GYMJOLAIZNIHIR-WBVHZDCISA-N 464.368 2.317 30 10 JEEE CC(C)(C)OC(=O)N[C@]12CCC[C@@H]1CN(C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)C2 2282693642 BLKLWTUXJZESLV-CMJOXMDJSA-N 458.368 2.295 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](CNC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1(C)C 2282694500 HFBWANQFJDCOSB-HOCLYGCPSA-N 460.384 2.445 30 10 JEEE COc1ccc(NC(=O)CN(C)CCNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2284049964 WVSUJVUGQWAXOF-UHFFFAOYSA-N 463.384 2.389 30 10 JEEE Cc1csc(CNC(=O)CN2CC(CNC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2284064159 SUWITZOWXOEMKN-UHFFFAOYSA-N 479.452 2.428 30 10 JEEE CC(C)(C)OC(=O)NCCCC[C@@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1)C(=O)O 2289800827 SEXFWKKWHGFHMA-OAHLLOKOSA-N 465.356 2.192 30 10 JEEE CN(C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)[C@H]1CN(C(=O)OC(C)(C)C)CC1(C)C 2289953748 HMQWRCSQJDDXJI-HNNXBMFYSA-N 460.384 2.493 30 10 JEEE COc1ccc(C(O)=C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(C)o2)cc1OC 2296103191 UWCSZXCRMMPZKK-NRFANRHFSA-N 456.495 2.359 30 10 JEEE CC(C)(C)OC(=O)N1CC(c2nc(=NC(=O)c3ccoc3B3OC(C)(C)C(C)(C)O3)s[nH]2)C1 2296457882 VLBDWTZJWJLNKR-UHFFFAOYSA-N 476.364 2.439 30 10 JEEE CC(=O)NCc1nnc(SCC(=O)Nc2ccccc2C)n1N=Cc1ccc(O)c(O)c1 2330740676 BPWWMYRWOGHKLH-UHFFFAOYSA-N 454.512 2.247 30 10 JEEE CCN(C(=O)OC(C)(C)C)[C@@H](C)CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nc(C)n1C 2337323774 MBGWOCQDGVLERR-AWEZNQCLSA-N 450.389 2.403 30 10 JEEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN([C@H](C(=O)OC)c3ccc(Cl)cc3)CC2)cc1 25154991 FIWSGPQKBCIZMF-NRFANRHFSA-N 491.997 2.476 30 10 JEEE O=C(C[S@](=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-])OCC(F)(F)C(F)F 33671354 UPAGNQPQSJZVMF-MUUNZHRXSA-N 475.316 2.440 30 10 JEEE N#C[C@@H]1C(=O)Nc2nc(N3CCC4(CC3)OCCO4)[nH]c(=O)c2[C@H]1c1ccc(Br)cc1 72444372 AHPHEDIGLJJPRR-GJZGRUSLSA-N 486.326 2.099 30 10 JEEE NC(N)=NS(=O)(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccccc2)cc1 96336821 MFQXOGSSKZHCEC-HXUWFJFHSA-N 476.514 2.432 30 10 JEEE CO/N=[N+](\[O-])CC(=O)N1CCCN(S(=O)(=O)c2ccc(C)cc2)[C@H]1c1cccc([N+](=O)[O-])c1 103937090 OHCXISRZUOBOIE-QFNVGMEYSA-N 477.499 2.349 30 10 JEEE COC(=O)C[C@@H](NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)c1ccc(Br)cc1 560762126 DOFVONVXKKTWMT-QGZVFWFLSA-N 480.340 2.020 30 10 JEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)N[C@@H](c2ccccc2)[C@@H]2CCCO2)CC1 608843445 RFRROJVWSDPTNM-UNMCSNQZSA-N 454.552 2.494 30 10 JEEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccc(C#N)c(Cl)c1 729672648 ZVYYORJPUJKUPZ-UHFFFAOYSA-N 488.960 2.099 30 10 JEEE COC(=O)c1ccccc1NC(=O)CSc1n[nH]c(NN=Cc2cccc(OC)c2O)n1 1084601981 XQDCWADWWFAARO-UHFFFAOYSA-N 456.484 2.482 30 10 JEEE COC(=O)c1ccc(S(=O)(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1C(F)(F)F 1208481053 HLTJMFVOBILJGZ-UHFFFAOYSA-N 454.430 2.270 30 10 JEEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCc1ccc(S(C)(=O)=O)cc1 1286400404 FPGYMGRTLBYHML-DEOSSOPVSA-N 470.595 2.038 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)c(Br)c1 1286430482 HVOXBIQFOUFCBS-KRWDZBQOSA-N 491.411 2.463 30 10 JEEE C#CCN(CC#CC)c1nnc(COc2ccc(C)c(C)c2)n1CCN1CCN(C(C)=O)CC1 1286433748 KFZGEINREZWMJT-UHFFFAOYSA-N 462.598 2.101 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H](C)CN2CCCCC2)CC1 1286473876 UHZMFOQOKKGLEZ-OAQYLSRUSA-N 484.670 2.226 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H](C)N2CCOCC2)CC1 1286486922 IJQDRMXMIBKGHX-SFHVURJKSA-N 471.005 2.285 30 10 JEEE C#CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](OC)C1 1286509967 ZGPXCELXEMPZLV-DLBZAZTESA-N 451.593 2.178 30 10 JEEE C=C(Br)Cn1c(N(C)[C@@H](C)CS(C)(=O)=O)nnc1[C@@]1(OC(C)C)CCOC1 1286547433 LWZSLLWPNLVXNL-WMLDXEAASA-N 465.414 2.097 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1286550230 ZWNGKGZTSXOHCX-ZACQAIPSSA-N 458.529 2.470 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCO[C@H](COC)C1 1286791760 BSRHGXWIGCPHAB-HNNXBMFYSA-N 470.357 2.318 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1286792034 KOXXDDFEXNHQCH-GHTZIAJQSA-N 489.020 2.360 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@H](NC(C)=O)C1 1286815909 BBDWCMCAWFUBGR-AEFFLSMTSA-N 479.578 2.263 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1286823112 JVOIKDGMCIRFEL-QAPCUYQASA-N 499.515 2.486 30 10 JEEE CC(C)(C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1286984382 AJMQXDRBNBCVKM-UHFFFAOYSA-N 493.612 2.054 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2C[C@@]2(O)CCSC2)c1 1300334820 VBUZGIWWANHYQG-DEOSSOPVSA-N 462.579 2.188 30 10 JEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1)[C@@H]1CCS(=O)(=O)C1 1300478810 BZHWGRKYDSKASY-BRWVUGGUSA-N 487.548 2.434 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1cccc(C(F)(F)F)n1)[C@H]1CCS(=O)(=O)C1 1300501175 HDZDMWCLMYKCEA-SFHVURJKSA-N 490.511 2.353 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@](C)(O)CCC)[C@H]1CCS(=O)(=O)C1 1300505317 ZMGHGTDPYQBRKH-LVBDUCALSA-N 466.648 2.375 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccc(COCC)cc1)[C@@H]1CCS(=O)(=O)C1 1300505647 DOSKBGNEHUPZFF-NHCUHLMSSA-N 458.584 2.341 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(OC)cc2OC)n1C[C@H]1CC[C@@]2(CCOC2)O1 1300655047 NSSZLVYACIJRRR-DVECYGJZSA-N 456.543 2.386 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@](C)(OC)C2CC2)CC1 1300715606 ATTGQJBHCBVXMW-JWQCQUIFSA-N 473.618 2.100 30 10 JEEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1300743764 ZULCYJSOODOTPN-QFIPXVFZSA-N 457.556 2.360 30 10 JEEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1300862623 BHIMPAQGXPDWGP-HZPDHXFCSA-N 455.401 2.075 30 10 JEEE C=C(C)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1300944697 DSYFFHKUNWYJAC-UHFFFAOYSA-N 454.575 2.283 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1301481365 KSBIFDMGUXNRGR-SAHWJRBASA-N 459.522 2.244 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CCOC2(CCOCC2)C1 1301485241 TYWACEZZCPFUQJ-UHFFFAOYSA-N 476.375 2.396 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CNC(C)=O)CC1 1301531428 MCNUQBDWDMGYAR-OAQYLSRUSA-N 487.626 2.146 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2cnnn2C)C1 1301566936 CNWPSDXMRHHQPS-SOLBZPMBSA-N 458.567 2.007 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1301588857 KTDUDQWDSNDCJT-JKSUJKDBSA-N 465.542 2.193 30 10 JEEE CCN(CC)C(=O)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1313641844 BHWJJKMZXZZBSC-CTNGQTDRSA-N 495.584 2.312 30 10 JEEE N#Cc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CCN(CC(F)(F)F)C2)cc1 1316533006 DTBBVOUTYCTBGU-HKUYNNGSSA-N 475.475 2.342 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(Cl)c(OC)c(OC)c1 1358872725 XYVDYUIGZMLQHL-STQMWFEESA-N 455.968 2.065 30 10 JEEE C#CCCCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1358924148 NMPJPPSXJWRGIH-PXNSSMCTSA-N 455.994 2.396 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H](c1ccsc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1358962154 LEZNEYAZOAWZKF-RLLQIKCJSA-N 477.656 2.163 30 10 JEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H](C)N(CC)CC 1358971433 VMPRNZRGAMWEMR-SFHVURJKSA-N 455.632 2.350 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCc2ccc(N(C)C)cc2)CC1 1359029526 AAWAHOWPLZZOSF-AREMUKBSSA-N 466.630 2.383 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2[C@H]2C[C@H](c3ccccc3C)C2)CC1 1359041292 SIDIYIOBWOFWNU-HMXCVIKNSA-N 498.653 2.281 30 10 JEEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1359128940 KUDOENCVONLMOQ-UHFFFAOYSA-N 469.011 2.494 30 10 JEEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(CC(F)(F)F)CC1 1359301923 PWOLJXWAOUBJJV-UHFFFAOYSA-N 458.435 2.134 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1359330242 LRAXFUBHFJKKLP-LJQANCHMSA-N 470.603 2.066 30 10 JEEE CC(=O)NC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@@H]2CCCCO2)CCO1 1359452164 HJIBYJPAWGOIAI-UNMCSNQZSA-N 468.558 2.029 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCCCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1507627604 KOUCKLUCQWDYQG-IBGZPJMESA-N 456.572 2.459 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1CCc1ccc2c(c1)OCCO2)[C@@H]1CCS(=O)(=O)C1 1507634915 REGBUWYWVWMUIV-LJQANCHMSA-N 458.584 2.117 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCSC1(C)C)[C@@H]1CCS(=O)(=O)C1 1507638159 DRQRTHSVIFDMJS-RTBURBONSA-N 476.672 2.298 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1507704559 GOTMAQKKBNMRQF-MRXNPFEDSA-N 472.899 2.343 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CCNC(=O)OC(C)(C)C)CC1 1507734670 TVPHGOZTXDSMAX-UHFFFAOYSA-N 456.547 2.337 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@H](C)OC)CC1 1507739056 LPYGIUVAZDLKPJ-QUCCMNQESA-N 488.633 2.393 30 10 JEEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1507836017 UCJBFFJVNPCQLY-SFHVURJKSA-N 456.547 2.292 30 10 JEEE C=CCCOCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1507966078 YEZQWWPZJBICGN-UHFFFAOYSA-N 471.512 2.327 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1508071984 AJDIUFZBMYBLHK-AEFFLSMTSA-N 474.993 2.268 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1508143896 KXWYWLNEXCZRAR-UHFFFAOYSA-N 486.642 2.094 30 10 JEEE CC[C@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@@H](C)CN1CCN(CC)CC1 1513024184 DYOXHKGQOFZLKI-FDFHNCONSA-N 494.692 2.442 30 10 JEEE C#CCCCn1c(N2CC[C@]3(CCS(=O)(=O)C3)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1539139295 CSWOTLXUFVUTKH-IXFSTUDKSA-N 477.631 2.477 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CCC=CO1)[C@@H]1CCS(=O)(=O)C1 1539205205 GDUAMYUDILXVDG-SJORKVTESA-N 494.415 2.366 30 10 JEEE C#CCN(c1nnc(CCOc2ccccc2)n1CCn1cc(Cl)cn1)[C@@H]1CCS(=O)(=O)C1 1539231039 SFUGTPSISPUJLC-LJQANCHMSA-N 489.001 2.076 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@H](OC)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1539231182 SPTLAFTYNHSRRW-FPOVZHCZSA-N 485.610 2.417 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](OC(C)C)c1ccccc1OC 1539266183 MZAHONUPGNALLW-UGKGYDQZSA-N 470.595 2.428 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1OCCC1(C)C 1539385319 YEWWJJOFXXIPKX-LPHOPBHVSA-N 463.579 2.482 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@](C)(O)c2ccc(F)cc2)CC1 1539430325 ILYKGZAZKNVEES-JWQCQUIFSA-N 471.577 2.121 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@@H](c2ccco2)N(C)C)CC1 1539483278 VIMVSVOIDVYZTH-NRFANRHFSA-N 461.570 2.126 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3CC)n2C[C@@H]2CCOC[C@@H]2OC)CC1 1539489185 RQOPOAIVUKYILA-UPVQGACJSA-N 495.624 2.437 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)COC)CC1 1539489774 XLANQDSOOOMXEN-UHFFFAOYSA-N 464.570 2.367 30 10 JEEE C=C(Br)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1539588505 YWKWVTODQXMGDS-QGZVFWFLSA-N 484.358 2.492 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2ccc(Cl)nc2C1 1539751475 OBGJVNHYKCSUMB-MRXNPFEDSA-N 451.980 2.384 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCS[C@@H](CC)C1 1540861717 DGQTVFMRDUPIRK-KRWDZBQOSA-N 463.007 2.496 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1540867376 UEPCCAMXRGDNTH-UHFFFAOYSA-N 497.625 2.094 30 10 JEEE C=CCNC(=O)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1C[C@@H](C)C[C@H](C)C1 1540873591 CYVAQYWWBXQAPV-VXKWHMMOSA-N 465.646 2.427 30 10 JEEE CCN1CCN([C@@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(CC)[C@@H](C)C2)CC1 1547700267 HVJQNKIEENOWGN-SFTDATJTSA-N 450.635 2.373 30 10 JEEE Cn1cnc(C(=O)N2CCC([C@@H]3CN(c4ccc(C#N)c(C(F)(F)F)c4)C[C@H]3C(N)=O)CC2)c1 1548397070 LHAIUWPWDZGPCB-ZWKOTPCHSA-N 474.487 2.401 30 10 JEEE CN(C)C(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)CCCS2)CC1 1552742379 HMUIEKOPYIMPMZ-DEOSSOPVSA-N 483.642 2.225 30 10 JEEE Cc1cc(C)nc(-n2[nH]c(C(=O)N3CCN([C@@H](C#N)c4cccc(Cl)c4)CC3)cc2=O)n1 1568490162 GHSXPIBDLUKIQO-IBGZPJMESA-N 451.918 2.249 30 10 JEEE C#C[C@H](C)N(C)c1nnc(Cc2ccccc2OC)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1587650401 BMLGEXKWUSCDOO-PZJWPPBQSA-N 452.603 2.278 30 10 JEEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1587856862 SYNMSSMMJBKFMA-FDFHNCONSA-N 456.635 2.212 30 10 JEEE C#CCN(C)c1nnc(COc2ccc(C#N)cc2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1588017005 ZRFCUBTYJLHWGP-LJQANCHMSA-N 462.476 2.451 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC[C@@](C)(O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1588050808 VFPPWKXTCILNRZ-WMZHIEFXSA-N 453.568 2.198 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CCc1ccc(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1588064758 OQRBATXWMCQDTN-OAQYLSRUSA-N 495.605 2.151 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@@H]1CCOC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1588069425 NSPWETJRDCYCHB-BJLQDIEVSA-N 476.574 2.296 30 10 JEEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1c(Cl)c(C(F)(F)F)nn1C 1588090617 ZKYCXXJWTHEUHN-LJQANCHMSA-N 470.883 2.457 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@]1(O)CCSC1 1588134285 VZFOCJHUHHILGP-WZONZLPQSA-N 459.616 2.333 30 10 JEEE C#CCN1CCN(c2nnc(-c3nn(CCC)c(=O)c4ccccc34)n2C[C@@H](OC)C(C)C)CC1 1588806685 ZRGWZFYZKYIIDY-JOCHJYFZSA-N 477.613 2.491 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@H]2CCCS2)CC1 1588836694 NVERPNHTNVFXCZ-RBUKOAKNSA-N 476.647 2.237 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2ccc(N(C)C)nc2)CC1 1588876761 HYOFKHJLOJBQGD-OYRHEFFESA-N 494.644 2.313 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1589731506 NKXPVJOEJBZLSG-GOSISDBHSA-N 455.588 2.499 30 10 JEEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2cnc(C)s2)CC1 1594733565 VIMFGOSDPVIBNT-KRWDZBQOSA-N 450.634 2.234 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCC(Nc2cccnn2)CC1 1595811933 HGMAYZGDCXZUGJ-UHFFFAOYSA-N 473.628 2.402 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CC[C@H](C)[C@H](OC)C1 1595822027 FYJXATSEFZURCA-QFBILLFUSA-N 452.552 2.458 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1C[C@H]1CC1(C)C 1611704414 AOVNFJSMCGKTAN-NVXWUHKLSA-N 475.594 2.272 30 10 JEEE CCN1C[C@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2CCCN(C)S(=O)(=O)CC)C[C@H]1C 1615760015 GUYQFYYKKDTRED-MOPGFXCFSA-N 473.647 2.407 30 10 JEEE CN1CCN(S(=O)(=O)c2ccccc2CNc2ncc(Br)cc2C#N)CC1 1655124821 AUERUEUUJLJPBI-UHFFFAOYSA-N 450.362 2.264 30 10 JEEE C#Cc1cccc(NC(=O)CNS(=O)(=O)C[C@H]2CCCN2C(=O)OCc2ccccc2)c1 1661504438 NHMKRSOCMKZVJM-OAQYLSRUSA-N 455.536 2.327 30 10 JEEE C#CCOc1ccccc1CNC(=O)NCc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 1676057476 DZNZPEJHLKHHEP-FQEVSTJZSA-N 457.552 2.155 30 10 JEEE C#CCOc1ccccc1CNC(=O)N1CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C1 1679245120 WSFPRKPURVHEPV-IBGZPJMESA-N 458.559 2.261 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@]2(C)COCCO2)c1 1689868684 OHHIOLYBWPDQNY-UIOOFZCWSA-N 497.596 2.180 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCCN1CC)[C@H]1CCS(=O)(=O)C1 1689981984 FMNJHOFZCPFWIZ-SJORKVTESA-N 495.447 2.147 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1CC1(N(C)C)CCCC1)[C@@H]1CCS(=O)(=O)C1 1689996934 RJSCPVWTQXERHV-LJQANCHMSA-N 489.617 2.497 30 10 JEEE C=C(Cl)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1690334024 BNYDOQFQTFXTTP-SFHVURJKSA-N 496.977 2.237 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cnccn2)n1C[C@H]1CCCN1S(C)(=O)=O 1690560137 PKNPUXHTSFECKF-HXUWFJFHSA-N 478.582 2.223 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1690676222 TXUFNVDMJNNXPA-SFHVURJKSA-N 456.547 2.183 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@H](NC(C)=O)C1 1690719774 SUVACJYXCNJTRC-MRXNPFEDSA-N 469.970 2.443 30 10 JEEE C=CCSCCn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1690744406 ONIFSWUFZLRVFW-CEMLEFRQSA-N 476.691 2.470 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1Cc1cccs1 1692793387 GVIKWNRAENMTAO-INIZCTEOSA-N 471.612 2.196 30 10 JEEE Cc1cc(CN2CCN(c3nnc(-c4ccc(C#N)cc4)n3CCC(=O)NC(C)C)CC2)on1 1693544817 GGRBCDZJHOMXHS-UHFFFAOYSA-N 462.558 2.350 30 10 JEEE CCCN(C)C[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(C(N)=O)CCOCC2)C1 1695290271 DIQXUVODYPRMED-HXUWFJFHSA-N 465.602 2.267 30 10 JEEE CCNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1695911941 CDELBCIXKVEVDV-HZPDHXFCSA-N 460.604 2.237 30 10 JEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1CCN(CCC)CC1 1705545177 RYFDRNYHTMDEEW-UHFFFAOYSA-N 458.632 2.387 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCCO[C@@H]1c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1705559347 YQFJFYMNRQVEAJ-BHDDXSALSA-N 499.637 2.211 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCCO[C@@H]2C(C)(C)C)CC1 1705644549 UNUXONIOYDHERS-UXHICEINSA-N 472.634 2.223 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2cccc(CN(C)C)c2)CC1 1705651465 XVXCLLDXERZZOH-UHFFFAOYSA-N 488.640 2.215 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC2CCC(OC)CC2)CC1 1705652547 DBHSAJHHJFNIPD-PLAFWNHUSA-N 473.618 2.173 30 10 JEEE C#CCSCCn1c(-c2cc(Br)cn2C)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1705655064 BYGUNZJHAFBZTJ-OAHLLOKOSA-N 486.461 2.426 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCOCCOC 1705671862 ALKNZOQFRAOUIU-XMMPIXPASA-N 450.543 2.237 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(OC)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1705710217 VZAMIZFEIDONPY-WEYGHZABSA-N 476.599 2.470 30 10 JEEE C=C(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1705722964 RUTLDUBGTJOUJB-UHFFFAOYSA-N 472.590 2.194 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2CCC(=O)N2CCOCC2)C1 1705917019 QCYRJZDQMCCDNZ-KRWDZBQOSA-N 493.406 2.076 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1C[C@H](C)O[C@@H](CC)C1 1705936402 QCRVMEHWFXXGQR-ZWOKBUDYSA-N 462.572 2.395 30 10 JEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(OC2CCCC2)CC1 1722317701 WGWVNEIPXVWQKX-OAQYLSRUSA-N 479.647 2.343 30 10 JEEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(C(=O)NCCOC)CC1 1722326963 VFKPNGWYTFBUJS-UHFFFAOYSA-N 463.380 2.428 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCC1CCN(CC(F)(F)F)CC1 1722390579 SEGMCRCHZNIYEW-KRWDZBQOSA-N 488.580 2.016 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2C[C@@H](CC(C)C)NC(=O)OCC)CC1 1722438759 ASCBMOBXHUGKGE-OAQYLSRUSA-N 453.591 2.180 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCC2CCN(CC)CC2)CC1 1722445617 TVTLOXDPBTYHJZ-UHFFFAOYSA-N 451.619 2.371 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CCCOCC)CC1 1722446302 RHODVRKITXMCTH-UHFFFAOYSA-N 491.596 2.067 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2cccc(OC)c2OC)CC1 1722450045 VDBWVIOBKFSULW-UHFFFAOYSA-N 491.596 2.171 30 10 JEEE C=C(Br)Cn1c(-c2cccn2C)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1722483296 ITYHXCRIMRIULR-DNVCBOLYSA-N 476.423 2.181 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1722700847 XEPOSCHZUFLDRS-MJGOQNOKSA-N 469.590 2.306 30 10 JEEE C[C@H](CC#N)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCNC(=O)C(C)(C)C 1723770939 CIGLKISBJRSJIZ-OAHLLOKOSA-N 450.547 2.093 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H](C1CC1)N(C)Cc1ccccc1 1723932304 BFVCINGHWKZMLY-WGGBDISSSA-N 489.621 2.241 30 10 JEEE C#CCN(c1nnc(CCOc2ccccc2)n1CC1(C)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1740625992 URLFJEANMMFXCS-HXUWFJFHSA-N 472.611 2.343 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCc1ccc(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1740628780 UCVSQLBCTATCPZ-UYAOXDASSA-N 474.583 2.016 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1CC1(CN2CCOCC2)CCCCC1 1740644899 YIDQYNWZPMRYDP-GOTSBHOMSA-N 469.630 2.358 30 10 JEEE C#CCN1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@](C)(O)CC)CC1 1740696245 PETZCUYNWQHNIP-XMMPIXPASA-N 460.623 2.309 30 10 JEEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(CC)[C@@H](C)C1 1740711127 HQOBREPLSXEGJB-SFHVURJKSA-N 476.672 2.092 30 10 JEEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1740721610 OAYYVCQLYDLNKN-LJQANCHMSA-N 459.597 2.109 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](CC(N)=O)C1 1740754095 PZZQEZSRSXNICY-LZNRXBQRSA-N 487.626 2.422 30 10 JEEE C=C(C)COCCn1c(N2CCN(C(=O)c3ccco3)CC2)nnc1[C@]1(OCC)CCOC1 1740799185 HJWZADRBWIZIRN-QHCPKHFHSA-N 459.547 2.078 30 10 JEEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(COC)CC1 1740865706 UZEUGUJFKODUBM-GOSISDBHSA-N 455.625 2.220 30 10 JEEE C=CCCOCCn1c(Cc2c(F)cccc2F)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1740887671 LDJOTIJNYSOFQU-LJQANCHMSA-N 474.512 2.213 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1740954694 FATCEFQKVYDHJA-UHFFFAOYSA-N 491.596 2.329 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1740957107 BJXPZPRERVAWSU-HXUWFJFHSA-N 490.612 2.422 30 10 JEEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1740962506 FYVGFFGLKAQLHN-LJQANCHMSA-N 451.531 2.025 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccc(NC(=O)[C@@H]3CCCO3)c2)C1 1740970338 JNKBGNAIANIPMC-SFTDATJTSA-N 482.585 2.363 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1740989035 YCCFLKNPJDNGGQ-PZJWPPBQSA-N 459.616 2.093 30 10 JEEE CC(C)[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CC[C@@](F)(C#N)C1)NC(=O)OC(C)(C)C 1741319537 CZUJQMQSKISHFW-OPAMFIHVSA-N 463.558 2.392 30 10 JEEE C[C@@H](CN1CCOCC1)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1741876160 CBJRRYFPKMVOKH-FDFHNCONSA-N 481.645 2.330 30 10 JEEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(CC(C)(C)C)n1CC1([S@@](C)=O)CC1 1743231459 DHYSWBCFFJTOTM-HEJPQYQCSA-N 456.620 2.155 30 10 JEEE COc1ccc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)cc1OC 1748636667 BXBOLNGVLZDDPF-HXOBKFHXSA-N 488.614 2.374 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H](C)Oc1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 1748818461 ZWVVLXPKRWEFHP-XUVXKRRUSA-N 458.584 2.185 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@H](C)N(C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1748820898 JBZRZDZRUOVGBQ-GMAHTHKFSA-N 495.653 2.291 30 10 JEEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCCN1CCOCC1 1748930156 ZYDVWURALVMDKS-HXUWFJFHSA-N 476.622 2.158 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2cc(C(C)(C)C)no2)CC1 1749003209 BDCRWCUAVJIXQV-VWLOTQADSA-N 484.601 2.230 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)CNC(=O)OC(C)(C)C 1749053841 MSYRPSMZWPTZCU-WHSLLNHNSA-N 468.624 2.041 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(C)n(C)c1=O 1749532189 RWLSBQPTFGLCLI-NRFANRHFSA-N 457.538 2.349 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c(C)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1)C(C)C 1749553774 VTVFTSSOSVJLAH-SFTDATJTSA-N 450.653 2.289 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Cl)n2CC2(O)CCS(=O)(=O)CC2)C1 1749703542 KARYLHDSJVRWMD-MRXNPFEDSA-N 466.991 2.320 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CCC(=O)NC(C)C)C1 1749705081 GECGPFSPILHBLE-SFHVURJKSA-N 479.585 2.371 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2nc(C)c(C)s2)C1 1749711609 AYMXUWVIPAGKOL-SJORKVTESA-N 451.618 2.278 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1749738073 DOIBAGVQYDOYFM-AUSIDOKSSA-N 460.600 2.048 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1ccc(OC)cc1 1760155203 TTXAGVRRLVGOFR-RTWAWAEBSA-N 473.599 2.375 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1CC[C@](C)(O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1760189085 NHALHUMRGUFLPP-URXFXBBRSA-N 465.579 2.265 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccc(CC)cc1)N(C)C 1760205483 BYDRLHIIXFUTRN-FCHUYYIVSA-N 453.612 2.118 30 10 JEEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccccc2OCC(F)(F)F)CC1 1760258061 OVERJOZGPRILPL-UHFFFAOYSA-N 459.476 2.423 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@]2(C)COCCO2)CC1 1760267142 GXIXEMIZWQFJLC-QHCPKHFHSA-N 457.962 2.370 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(c2ccccc2)CC1 1760357974 PXIOFPDZGLCJQN-FQEVSTJZSA-N 459.616 2.490 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1760515848 GVTKIXSAPMPNCD-SJORKVTESA-N 470.549 2.354 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@@H](CNC(=O)CCC)C1 1760519751 OAFUGHCWXRKAON-KRWDZBQOSA-N 468.558 2.109 30 10 JEEE C=CCNC(=O)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCS[C@@H](CC)C1 1760526776 HFWLYISUOOLFOA-QFIPXVFZSA-N 483.686 2.277 30 10 JEEE C=CCNC(=O)Cn1c(N2CCc3c(F)cc(F)cc3C2)nnc1[C@]1(OC(C)C)CCOC1 1760528530 FYYRTWXADSRZTR-QHCPKHFHSA-N 461.513 2.462 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2Cc2nncn2CC)C1 1760534518 AIQIVCPWLZXDFX-SFHVURJKSA-N 470.965 2.303 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CCS(=O)(=O)C(C)(C)C)C1 1760550493 ZVPLMFHDAFVYFU-INIZCTEOSA-N 481.644 2.264 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3ccccc3n2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1760553217 OKLRQCVEPCVINA-IEBWSBKVSA-N 471.583 2.334 30 10 JEEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCc2ccc(OCC(F)(F)F)nc2)CCOC1 1767482183 HREQJRYWSUOHFV-LAUBAEHRSA-N 496.490 2.238 30 10 JEEE COCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 1769866225 CWNSGLDNGRMGNY-OAQYLSRUSA-N 488.614 2.206 30 10 JEEE COc1ccc(CCc2nnc(N3CCC(CC#N)CC3)n2CCNC(=O)c2cc[nH]n2)cc1 1770127671 HQEQPULHJAFPGW-UHFFFAOYSA-N 462.558 2.355 30 10 JEEE N#CC1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCNC(=O)c2cc[nH]n2)CC1 1770746433 FZHMNXDSQYZXBM-UHFFFAOYSA-N 454.922 2.404 30 10 JEEE CN1C(=O)Cc2cc(S(=O)(=O)Nc3ccc(NS(=O)(=O)c4ccccc4C#N)nc3)ccc21 1858289148 GHDAUISUPRDKPK-UHFFFAOYSA-N 483.531 2.074 30 10 JEEE CC[C@H](C)[C@@H](NC(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2cccc(C#N)c2)cc1)C(=O)O 1858977732 RUYFNHBYKFIFJW-MGPUTAFESA-N 486.550 2.018 30 10 JEEE N#Cc1cccc(C(=O)Oc2cccc3c2C(=O)N(CCc2ccc(S(N)(=O)=O)cc2)C3=O)c1 1865803412 GFLPFDZRPFQVHH-UHFFFAOYSA-N 475.482 2.264 30 10 JEEE CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)NC(=O)C2CCN([C@H](C#N)c3cccs3)CC2)C1 1868781827 AUFCBYGSUYHUFH-BHIYHBOVSA-N 460.600 2.331 30 10 JEEE O=C(NC[C@@H]1CCCO1)[C@@H](CSCc1ccccc1)N=C1NS(=O)(=O)c2ccccc21 1869931843 JIYMYTFWAYVZOH-PKOBYXMFSA-N 459.593 2.322 30 10 JEEE O=C(NCCCCCO)[C@@H](CSCc1ccccc1)N=C1NS(=O)(=O)c2ccccc21 1869932288 ZEWPNJZADLVIAB-LJQANCHMSA-N 461.609 2.306 30 10 JEEE C=CCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2ccc(OC)c(OC)c2)[nH]1 1871541283 ZMXNDORGLAGSER-UHFFFAOYSA-N 477.569 2.409 30 10 JEEE C=CCOc1ccccc1OCc1nnc(SCC(N)=O)n1/N=C/c1ccc(O)c(O)c1 1874227348 VZAFQOWZXYKNQY-FOKLQQMPSA-N 455.496 2.293 30 10 JEEE CCOc1c(/C=N/n2c(SCC(N)=O)nnc2[C@H]2CC(=O)N(C(C)(C)C)C2)cccc1OC 1874274733 UXDINPRYAQOGHN-OWLNGIFZSA-N 474.587 2.259 30 10 JEEE CCCNC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1ccc(O)c([N+](=O)[O-])c1 1874338087 MQPIYAYMQVTOLS-GQLBNTDBSA-N 489.558 2.117 30 10 JEEE Cc1cc(S(=O)(=O)N2CCC(OCC#CCN3CCN(C(C)C)CC3)CC2)ccc1F 1889649605 FZUHSDABDDWEOU-UHFFFAOYSA-N 451.608 2.333 30 10 JEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](C(=O)Nc2ccc(Br)cc2C#N)C1 2197772319 DTXXMJMIFATUHZ-AWEZNQCLSA-N 458.334 2.293 30 10 JEEE C[C@@H](C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1)N1CCN(C(=O)OC(C)(C)C)CC1 2206616512 JLWQRSDXGMNFGD-INIZCTEOSA-N 460.384 2.261 30 10 JEEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(Cc1ccccc1)C1CN(C(=O)OC(C)(C)C)C1 2243426394 WWJHWRYJQVDCPE-UHFFFAOYSA-N 497.405 2.376 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@H]1NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2247901528 LSKKBFKGYKEFSP-UONOGXRCSA-N 458.411 2.132 30 10 JEEE C=C(CS(=O)(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1OC)B1OC(C)(C)C(C)(C)O1 2255795921 ZJSZDIQIEANLGX-CVEARBPZSA-N 460.402 2.118 30 10 JEEE Cc1c(C(=O)N(C)CCCN(C)C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267136741 LZTCHJJUENHPAN-UHFFFAOYSA-N 450.389 2.357 30 10 JEEE CO[C@H]1C[C@H](C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)N(C(=O)OC(C)(C)C)C1 2268643688 JHFYFLZECITPER-DZGCQCFKSA-N 467.397 2.083 30 10 JEEE C[C@H](NC(=O)CC[C@@H](O)CNC(=O)OC(C)(C)C)c1nscc1B1OC(C)(C)C(C)(C)O1 2268643873 MEQBHYKJCXEQAS-UONOGXRCSA-N 469.413 2.285 30 10 JEEE N#Cc1cc2c(nc1-n1cnc(I)c1I)CCOC2 2277547661 WYFHRHOWOJQZKW-UHFFFAOYSA-N 478.031 2.421 30 10 JEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1cccc(F)c1B1OC(C)(C)C(C)(C)O1 2281762640 ONJMIDHSYSAWBL-IAGOWNOFSA-N 464.343 2.489 30 10 JEEE Cn1cc(C(=O)N2CC([C@@H]3CCN(C(=O)OC(C)(C)C)C3)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2281963789 PIZKVCJCULEWGH-OAHLLOKOSA-N 460.384 2.048 30 10 JEEE Cn1cc(C(=O)N2CCCC[C@@H](CNC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2281980759 KPEOFWRTMRSAKZ-INIZCTEOSA-N 462.400 2.486 30 10 JEEE C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1N(C)C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2282015876 PUWUKKLTLJMWTQ-DOTOQJQBSA-N 460.384 2.493 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1(C)C 2282022442 TZLNAWQVTPTIHF-GOEBONIOSA-N 460.384 2.445 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCOC[C@@H]2CNC(=O)OC(C)(C)C)n1 2282049475 ZRAREGJPFVIKQG-INIZCTEOSA-N 461.368 2.055 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H]2OCCN(C(=O)c3ncsc3B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2282519554 KKXOAOBODJTSDW-CABCVRRESA-N 479.408 2.293 30 10 JEEE Cc1c(C(=O)N2C[C@@H](CNC(=O)OC(C)(C)C)C[C@@H]2C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282600025 SCTLNYFAJVESSA-GOEBONIOSA-N 462.400 2.403 30 10 JEEE CC1(C)OB(c2ccc(C(=O)N3CCC[C@@H](CNC(=O)C(F)(F)F)C3)c(O)c2)OC1(C)C 2282806188 HKMVJZZDAYDGOY-ZDUSSCGKSA-N 456.270 2.222 30 10 JEEE CC(C)(C)OC(=O)N1CC(C2CN(S(=O)(=O)c3cccc(B4OC(C)(C)C(C)(C)O4)c3)C2)C1 2282843928 UVPXBKBFXBNJGS-UHFFFAOYSA-N 478.420 2.473 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](NS(=O)(=O)c2ccc(F)c(B3OC(C)(C)C(C)(C)O3)c2)CCO1 2282845367 RFACCPFRKRQCRY-CQSZACIVSA-N 486.371 2.344 30 10 JEEE C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2cc(B3OC(C)(C)C(C)(C)O3)ccc2C1 2283970990 IAVKYORWGWGCCR-KXBFYZLASA-N 460.380 2.145 30 10 JEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CC(=O)N2CCC(=CB3OC(C)(C)C(C)(C)O3)C2)C1 2283988726 ZVYSCXZGGROLST-QGZVFWFLSA-N 484.424 2.201 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2COC[C@@]2(C(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)C1 2284019609 ANZBLXWWAHZKHX-CMJOXMDJSA-N 459.352 2.203 30 10 JEEE Cc1ccc(N2C(=O)C(=Cc3ccc(CN(CCC#N)S(C)(=O)=O)o3)C(=O)NC2=S)cc1 2297462938 IAZDSTFFBWKXFL-UHFFFAOYSA-N 472.548 2.095 30 10 JEEE COC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)(C)C)C2)n1N=Cc1ccc(C(=O)OC)cc1 2327876118 UGERJWLGGDMOQD-MRXNPFEDSA-N 473.555 2.326 30 10 JEEE COc1cc(OC)c(OC)cc1C=Nn1c(COCc2ccccc2)nnc1SCC(N)=O 2329322770 LNBFCOFVLCWYSD-UHFFFAOYSA-N 471.539 2.480 30 10 JEEE C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2scc(B3OC(C)(C)C(C)(C)O3)c2C1 2336496817 IPNQCAUAUNUQTF-DYVFJYSZSA-N 466.409 2.206 30 10 JEEE CCn1cc(C(=O)NC[C@H]2[C@@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)nc1B1OC(C)(C)C(C)(C)O1 2359277760 QXCRKORFDOSJQI-HLLBOEOZSA-N 460.384 2.187 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)[C@@H]2CCC[C@H]21 2367687110 OITNOFHTYDBYFX-IAGOWNOFSA-N 458.368 2.390 30 10 JEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)[C@H]2CCCN(C(=O)Nc3ccccc3)C2)CC1 18039220 TYBMDJUFWLRVTQ-FQEVSTJZSA-N 481.578 2.335 30 10 JEEE Cc1nn(C(C)C)c(C)c1/C=N/Nc1nnc(SCC(=O)Nc2cccc(C#N)c2)n1N 20911739 MTFYPEFUQDCNSJ-AUEPDCJTSA-N 452.548 2.435 30 10 JEEE COC1=C[C@@H](C)[C@@H]2C[C@H]3OC(=O)C[C@@H]4[C@@]3(C)[C@H]([C@H](O)C[C@@]4(C)C(=O)[C@H]3COC(=O)C3)[C@@]2(C)C1=O 33833027 BIJFTRIMTHYJOV-QRWZCSJESA-N 474.550 2.219 30 10 JEEE in-vitro O=C(CSc1n[nH]c(N/N=C/c2cc([N+](=O)[O-])ccc2O)n1)NCc1ccc2c(c1)OCO2 58997418 ZQMPHIUCDQYTCL-ODCIPOBUSA-N 471.455 2.002 30 10 JEEE CCOC(=O)C1CCN(c2nc3c(c(=O)[nH]2)[C@@H](c2ccccc2Cl)[C@H](C#N)C(=O)N3)CC1 72444629 XVOHEDWCPGWMSN-HOCLYGCPSA-N 455.902 2.427 30 10 JEEE COc1ccc([C@H]2c3c(nc(N4CCC(C)CC4)[nH]c3=O)NC(=O)[C@@H]2C#N)c(OC)c1OC 72445305 MVNNYZOAFOWTOG-GDBMZVCRSA-N 453.499 2.256 30 10 JEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)CC1 514566236 AOTAIOSYFMZOTM-QFIPXVFZSA-N 467.595 2.411 30 10 JEEE CCOc1ccc(N(CCC#N)C(=O)CN2CCN(c3ccccc3S(=O)(=O)NC)CC2)cc1 609040756 VJDWKYLMVARJCL-UHFFFAOYSA-N 485.610 2.062 30 10 JEEE CCn1cc(N=C2S[C@H](CC(=O)Nc3cnccn3)C(=O)N2Cc2cccnc2OC)cn1 730722579 FTUWMDDYARCGKA-MRXNPFEDSA-N 466.527 2.257 30 10 JEEE C#CCC[C@@H](O)CNC(=O)[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 757487722 VXCGPHWMXIRAIH-OPAMFIHVSA-N 450.491 2.259 30 10 JEEE CON(C)S(=O)(=O)c1cccc(C(=O)O[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)c1 857601289 GZHVSWGYYUPSGQ-LBPRGKRZSA-N 463.537 2.474 30 10 JEEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C/c1ccccc1 1148506282 WAAOLIFIFOBGDM-HYNZEADFSA-N 452.598 2.090 30 10 JEEE COC(=O)CCNC(=O)[C@@H]1CS[C@@H](C)N1C(=O)c1ccc(COc2ccccc2C#N)o1 1161022486 BURLDHYBLOKCCX-YOEHRIQHSA-N 457.508 2.313 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(O)CCN(C(C)C)CC1 1286297287 VNIDQUAKWYYHIE-UXHICEINSA-N 490.649 2.280 30 10 JEEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CCS(=O)(=O)c1ccccc1 1286301574 FYWMOCATHDBDBC-INIZCTEOSA-N 457.581 2.201 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CC1(N(C)C)CCCC1)[C@H]1CCS(=O)(=O)C1 1286385358 WVKSGOUYZKKMKS-NRFANRHFSA-N 466.611 2.318 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1Cc1ccn(C)n1)[C@@H]1CCS(=O)(=O)C1 1286388007 KBMPOWVTRYGYQH-MRXNPFEDSA-N 462.938 2.146 30 10 JEEE C#CCN(c1nnc(-c2cnn(-c3ccccc3)c2)n1CC(C)(C)COC)[C@H]1CCS(=O)(=O)C1 1286389085 FPRTZYAXWBYTMX-NRFANRHFSA-N 482.610 2.430 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1286401402 MIHGAFAOFANSLE-MRXNPFEDSA-N 476.400 2.062 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1C[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 1286415536 OODQVUZIRVTTHF-SLFFLAALSA-N 468.602 2.382 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2Cc2ccc(OCCOC)cc2)CC1 1286489886 GYONPQCSVVXFED-UHFFFAOYSA-N 476.581 2.323 30 10 JEEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)c2c(F)cccc2F)CC1 1286503121 ABRSLZBBABERRN-UHFFFAOYSA-N 471.537 2.286 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C(=O)COC)CC1 1286551067 GKOCOHQTSTWZHC-MBSDFSHPSA-N 485.585 2.239 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(OC)cc1 1286581280 HJYKHYWVUNIYRR-FQEVSTJZSA-N 463.604 2.265 30 10 JEEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1286613059 PEICHZJJMDOPMY-ROUUACIJSA-N 461.588 2.247 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[C@H](OCC)C(C)C)CC1 1286663260 JRMUASVWGDQJBC-VQTJNVASSA-N 469.652 2.465 30 10 JEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2nc3ccccc3o2)CC1 1286692313 DJSKTOJGWYDDMU-INIZCTEOSA-N 459.576 2.322 30 10 JEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCN(Cc2cnc(C)s2)CC1 1286789069 AIFWWPURQAMNKK-UHFFFAOYSA-N 472.644 2.023 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC[C@H](C(=O)c3ccc(F)cc3)C2)nnc1[C@]1(OCC)CCOC1 1286793031 PKDBVFVJFIUMEY-DFBJGRDBSA-N 485.560 2.471 30 10 JEEE C=CCOc1ccccc1Cn1c(-c2cccnc2)nnc1N1CCN(S(C)(=O)=O)CC1 1286795055 DTZWELKUXALJHC-UHFFFAOYSA-N 454.556 2.035 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCNS(=O)(=O)CC)C1 1286802631 VHSNYHBEAXATDE-OAHLLOKOSA-N 457.959 2.458 30 10 JEEE CC(=O)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CN(CC(C)C)CCO2)CC1 1286863634 DUFPFLNURFHXCD-HSZRJFAPSA-N 465.602 2.232 30 10 JEEE CC(C)NC(=O)CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCO[C@H](C#N)C1 1288199296 AQOGUORHARVDMV-ZWKOTPCHSA-N 475.594 2.036 30 10 JEEE CNC(=O)CCN(C)c1nnc(COc2ccc(C#N)cc2)n1CCN1CCCC(C)(C)C1 1299225768 BRIIKEQUFUXVOR-UHFFFAOYSA-N 453.591 2.423 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CCc1sc(C)nc1C)[C@H]1CCS(=O)(=O)C1 1300479427 OLRGDOFBALDDLE-SFHVURJKSA-N 492.671 2.139 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1Cc1ccc(C#N)o1)[C@H]1CCS(=O)(=O)C1 1300489117 IYGOUMRWZWHFCG-KRWDZBQOSA-N 481.534 2.102 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC1(OC)CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1300496971 WTUYLKKRSKDBRD-XLLHFJCQSA-N 464.632 2.394 30 10 JEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1C[C@@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1300499797 XDMXOJIYLXJKGF-NQIIRXRSSA-N 450.992 2.310 30 10 JEEE C#CCN(c1nnc(COCC)n1Cc1ccc2c(c1)[C@H](C)[C@H](C)O2)[C@H]1CCS(=O)(=O)C1 1300503775 FLZQFTSYEQMHGD-AOIWGVFYSA-N 458.584 2.374 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCCCO2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1300664769 FPMFPPWGOXSYSP-DHIUTWEWSA-N 453.587 2.221 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CCCN(C)C(=O)OC(C)(C)C)CC1 1300703632 NHKKSRGGPRWAKV-UHFFFAOYSA-N 453.591 2.276 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCNC(=O)OC(C)(C)C)CC1 1300730932 HFYRYTQWJLOHTI-UHFFFAOYSA-N 498.632 2.020 30 10 JEEE C#CCSCCn1c(N2CCC(N3CCCNC3=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1300777824 DKXKDXCQGXFWHP-HSZRJFAPSA-N 476.647 2.069 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2c(F)cccc2OC)CC1 1300991582 VHNUVUBVVBHINC-GOSISDBHSA-N 493.605 2.247 30 10 JEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCN(CC)C(=O)OC(C)(C)C)CC1 1301065993 LOHZBPDEQTZYTJ-INIZCTEOSA-N 456.613 2.302 30 10 JEEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC[S@@](=O)C(C)(C)C 1301278175 GVTHJFJEVGPBOI-GDLZYMKVSA-N 453.634 2.365 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c(-c2noc3c2COCC3)nnc1N1CC(=O)N(C)[C@@H](C)C1)C(C)C 1301366626 GKTNHFZSMHPHKJ-ICSRJNTNSA-N 483.617 2.371 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CC[C@@H](CN(CC)CC(F)(F)F)C1 1301490812 FDJVKPIZPQYXMW-INIZCTEOSA-N 453.513 2.296 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC(O)(Cc2ccccc2F)CC1 1301490922 IKWOLHNODIEUQB-UHFFFAOYSA-N 452.534 2.299 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@@H](CN(CC)CC(F)(F)F)C1 1301501347 VELVKEWPRQXRMS-DLBZAZTESA-N 458.529 2.185 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1301520312 DSRGTTGNUSJZLJ-NSHGMRRFSA-N 492.621 2.140 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1301577672 RYJCJNNEJBUDHU-HXUWFJFHSA-N 467.954 2.055 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1301579367 QJAIFNAFDRPCFZ-UHFFFAOYSA-N 479.566 2.255 30 10 JEEE Cc1ccsc1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(C#N)C1 1304071086 HCMFEHRFGLYNFD-DYESRHJHSA-N 478.644 2.354 30 10 JEEE C#CCN(c1nnc([C@@H](CC)c2ccccc2)n1CC1(C(N)=O)CCCC1)[C@H]1CCS(=O)(=O)C1 1358956919 MLUHXDPCRMBRAX-SFTDATJTSA-N 483.638 2.492 30 10 JEEE C#CCN(c1nnc([C@@H](C)OCCOC)n1Cc1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 1358957555 VWUUTEKGGTXWTL-VQIMIIECSA-N 466.991 2.331 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCCN1CCc2ccccc2C1 1359064452 SQCVIIFTYHOUEL-YADARESESA-N 470.643 2.329 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(O)(Cc2cccc(C)c2)CC1 1359121668 BGVRFLPDRMUVGM-OAQYLSRUSA-N 489.642 2.070 30 10 JEEE C=C(C)COCCn1c(-c2ccccc2F)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1359130701 UEWLBBRFSYXKMA-NRFANRHFSA-N 456.566 2.420 30 10 JEEE C=CCOc1ccccc1Cn1c(CNC(=O)c2cccs2)nnc1N1CCS(=O)(=O)CC1 1359310747 FRQLWKPFRDLEEJ-UHFFFAOYSA-N 487.607 2.118 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1359330813 DMDBIZYUKPPZKJ-MRXNPFEDSA-N 479.603 2.391 30 10 JEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H](C)C(=O)Nc1cccnc1C 1450903375 FMYQZUKSXIMIJO-YJBOKZPZSA-N 457.556 2.131 30 10 JEEE CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1503255744 CERMYGHKRQSPMC-UHFFFAOYSA-N 469.546 2.112 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1CCS(=O)(=O)CC1 1507514825 UDJNNBUWSPUTLJ-HNNXBMFYSA-N 463.991 2.144 30 10 JEEE C#CCCCCn1c(CC2CC2)nnc1N1C[C@@H]2[C@H](C1)[C@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1507565896 HEAWIUNXIRVQES-GUDVDZBRSA-N 477.631 2.161 30 10 JEEE C#CCN(c1nnc(COc2ccc(Cl)cc2Cl)n1CC1(O)CC1)[C@@H]1CCS(=O)(=O)C1 1507640428 SIBLCHPWAPNZBE-OAHLLOKOSA-N 485.393 2.316 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc4ccccc4o3)n2C[C@](C)(O)CCOC)CC1 1507734420 MKCZXOKWHSNIRQ-RUZDIDTESA-N 465.554 2.445 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NC2CCCCC2)CC1 1507735020 HPKDEBXQQWYTGL-UHFFFAOYSA-N 473.581 2.231 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C)n2C[C@@H](c2ccc(OC)cc2)N2CCCC2)CC1 1507737041 XJFPPGRLCPVARD-QHCPKHFHSA-N 450.587 2.398 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(COCC)cc2)CC1 1507739111 MUVCPNRNYWLXEI-JOCHJYFZSA-N 451.571 2.333 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2C[C@H]2CCCOC2)CC1 1507743046 XKAJLRUHJGVVEG-LJQANCHMSA-N 451.571 2.270 30 10 JEEE C#CCSCCn1c(COc2cc(C)ccc2C)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1507753198 KPAZJQALMPLOMN-UHFFFAOYSA-N 479.610 2.427 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)Oc1ccccc1F 1507773510 RVZLYIPFNMYLHG-XTQVGHSUSA-N 491.589 2.210 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccc2F)nnc1N1CCN(CC(=O)N(C)C)CC1 1507797691 SJNACLIMGZFWRY-PGRDOPGGSA-N 456.566 2.276 30 10 JEEE C=C(C)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1507828138 URWCZVIQVHTRGY-KRWDZBQOSA-N 461.588 2.400 30 10 JEEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1508042583 ROIYEJYAVVGDRH-MRXNPFEDSA-N 477.960 2.424 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCc2ccc(OCC)cc2C1 1508129898 DZBBAVUFJNKHGQ-UHFFFAOYSA-N 496.593 2.488 30 10 JEEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(C)c1 1508161778 NIOCXFSFSAKETD-LJQANCHMSA-N 465.645 2.475 30 10 JEEE Cc1cnn(C[C@H]2CN(c3nnc(COc4ccc(C#N)cc4)n3CCC(=O)NC(C)C)CCO2)c1 1511418931 GFBIDPACPXTXQS-JOCHJYFZSA-N 492.584 2.054 30 10 JEEE CN(C)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1)c1ccsc1 1516978633 CCTMIEBXMFXQCM-FQEVSTJZSA-N 485.639 2.263 30 10 JEEE C=CCN1C(=O)C(=O)N(CC(=O)N2[C@@H](C)CN(c3ccc(C(F)(F)F)cc3)C[C@@H]2C)C1=O 1527651537 DYFMYADJAMGJDA-KBPBESRZSA-N 452.433 2.108 30 10 JEEE C#CCn1ccc(CN(CC)C(=O)C2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)n1 1531364328 XBNOLCVSDOWUHY-UHFFFAOYSA-N 450.511 2.244 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC(=O)NCc1ccco1 1538982338 DPRBFKZIPGWNHV-HNNXBMFYSA-N 453.499 2.338 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@H](C)CN1CCOCC1 1539025406 HXMBUNJGBDELLB-DNQXCXABSA-N 479.673 2.069 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1Cc1ccc(CS(C)(=O)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1539203323 PKQGOTPSJRZZJG-YLJYHZDGSA-N 478.640 2.011 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(Br)c2)n1CCC[C@@H]1NC(=O)NC1=O 1539301966 XYVGFHVOLOGSHO-KRWDZBQOSA-N 469.343 2.159 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(S(C)(=O)=O)CC1 1539412970 FYVHSDSKJMEOCG-GOSISDBHSA-N 495.646 2.056 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccc(C)cc2)CC1 1539469609 SDHXACVSBUOJFM-VWLOTQADSA-N 451.571 2.253 30 10 JEEE C=C(C)COCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1539734951 COHBFFMGJXLPJG-QGZVFWFLSA-N 464.452 2.281 30 10 JEEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 1540019192 DJHDITFJDXXBSH-UHFFFAOYSA-N 460.604 2.341 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c(-c2cnccn2)nnc1N1CC[C@@]2(CCC(=O)N2)C1)C(C)C 1540152658 ZSAVHTYSNZVXHA-YKSBVNFPSA-N 450.591 2.293 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@H](n2cncn2)C1 1540863091 OXPAIAJBJZURGM-IRXDYDNUSA-N 454.510 2.292 30 10 JEEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@H]2C[C@H]1CO2 1540870518 PKSAFGSQBWWXGU-ROUUACIJSA-N 460.579 2.062 30 10 JEEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)C1CCN(CCC)CC1 1540870811 XNYULJDMZKEESN-UHFFFAOYSA-N 481.649 2.065 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](CC)C1 1540871639 QBZYOAPIZHECMS-KSZLIROESA-N 462.595 2.214 30 10 JEEE C=CCOc1ccc(Cn2c(N3CC(=O)N(C)C[C@@H]3C)nnc2[C@@]2(OCC)CCOC2)cc1 1540879287 YRRYRKDWUMSLML-MHECFPHRSA-N 455.559 2.210 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@@H](CC)C1 1540898490 MDQGMDPWPLDSOK-HNNXBMFYSA-N 472.409 2.262 30 10 JEEE CC(C)NS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)C[C@H](C)C#N 1541104863 BNGYPBDNFDRKBY-MRXNPFEDSA-N 456.576 2.259 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(OCC(F)(F)F)nc1 1541118864 IETNNBATFRKVOL-AWEZNQCLSA-N 451.453 2.381 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@H]1CCCN1C1CCCCC1 1541927036 CUINIJNHDXIAEB-DJPFJPOOSA-N 467.615 2.127 30 10 JEEE CCn1cccc(Cn2c(COc3ccc(C#N)cc3)nnc2N2C[C@@H](C)O[C@@H](COC)C2)c1=O 1547627531 CWHHAESEQJTCJS-XMSQKQJNSA-N 478.553 2.199 30 10 JEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1587857321 YMXFHTUHJAJALV-FGTMMUONSA-N 465.620 2.333 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CCCO[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1588040092 ICCUTRAEFJYHBN-VQTJNVASSA-N 479.002 2.421 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1ccc(N2CCOCC2)cc1)[C@H]1CCS(=O)(=O)C1 1588059351 MJKHYHZAHSUQBC-QFIPXVFZSA-N 485.654 2.378 30 10 JEEE C#CCN(CC#CC)c1nnc(Cc2ccncc2)n1Cc1ccccc1CN1CC[C@H](O)C1 1588240907 HPHCEEZSMFLDKT-VWLOTQADSA-N 454.578 2.342 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2C[C@@H]2CN(CC(C)C)CCO2)CC1 1588800204 ARJIYNOTYHFMMR-NRFANRHFSA-N 452.603 2.066 30 10 JEEE C#CCSCCn1c(-c2ccc(Br)s2)nnc1N(C)CCNS(C)(=O)=O 1589007691 OQDBWBJASMBRJU-UHFFFAOYSA-N 478.463 2.121 30 10 JEEE C=C(C)COCCn1c(Cc2ccsc2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1593757613 KBPUDRPMJARFTI-LJQANCHMSA-N 458.588 2.290 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](N1CCOCC1)C(F)(F)F 1595250397 DKXKBKVTUGEANS-ROUUACIJSA-N 482.507 2.320 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N(C)CCc1ccc(Br)cc1 1595467750 YSFJBOAHUHFAFS-UHFFFAOYSA-N 463.380 2.160 30 10 JEEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)cc1 1597601568 MKNFKUWPJUNOSP-MRXNPFEDSA-N 459.572 2.157 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@]1(OC)CCOC1 1613585858 CMTHXPWXESCIGO-RUZDIDTESA-N 481.601 2.200 30 10 JEEE C#CCNS(=O)(=O)c1cccc(C(=O)N(C)C[C@H](O)c2ccccc2Br)c1 1638084988 RBOPMCWALWYPEO-SFHVURJKSA-N 451.342 2.166 30 10 JEEE C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 1683309100 GVGNAWFZEXGONO-YOEHRIQHSA-N 458.378 2.056 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2CC(=O)NCC(F)(F)F)c1 1689870712 XQUFQQCIYNWOKI-UHFFFAOYSA-N 471.443 2.075 30 10 JEEE C#CCN(C)c1nnc(Cc2ccccc2OC)n1CCCN1C(=O)NC2(CCCC2)C1=O 1689969173 NMYJYMWNPGZCRC-UHFFFAOYSA-N 450.543 2.202 30 10 JEEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCOc1ccccc1C(C)C)[C@H]1CCS(=O)(=O)C1 1689987881 DTGFYZWEOMBUCS-AZUAARDMSA-N 485.610 2.058 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@]1(OC)CCOC1 1690031454 KUVYXFZXQAENGQ-HSZRJFAPSA-N 455.946 2.130 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCC2(COC)CCCC2)CC1 1690134907 KEENSHNSDBOVGG-UHFFFAOYSA-N 470.618 2.077 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCc1ccn(C)n1 1690196388 IRMSHURMETWZBG-HSZRJFAPSA-N 467.599 2.164 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccn2C)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1690244045 SKMBCWSTPMCBFV-ZVDOUQERSA-N 476.647 2.373 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1ccccc1)C[C@H]1CCCO1 1690288124 JATJLFCIIOMLBP-NHCUHLMSSA-N 475.615 2.373 30 10 JEEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1690360995 DSEQFLSENLVIKH-PMACEKPBSA-N 496.033 2.407 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCC2Cc3ccccc3C2)C1 1690686917 VYWYBTFKBFQDNL-UTKZUKDTSA-N 459.616 2.475 30 10 JEEE CC(C)(Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(C#N)C1)N1CCCCC1 1692852227 HZWYUQKLLOPKEY-AUSIDOKSSA-N 493.678 2.006 30 10 JEEE Cc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCNc1nccc(C(F)(F)F)n1 1693507766 BLZMNNLEMVVBDE-UHFFFAOYSA-N 458.452 2.101 30 10 JEEE COc1c(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)oc2ccccc12 1697239631 IEBMAKBJMNWQLN-ZUOKHONESA-N 462.507 2.133 30 10 JEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1705516566 DYSCECQWIYSRMQ-ROUUACIJSA-N 471.574 2.286 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](CN2CCCCCC2)C1 1705534768 RAQNEFWQAPFDEQ-VXKWHMMOSA-N 492.690 2.117 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(F)cc3Br)n2CCS(=O)(=O)CC)CC1 1705636470 LWBXXLZTFVHHIG-UHFFFAOYSA-N 484.395 2.037 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCS(C)(=O)=O)CC1 1705645236 OONUNFVXMSXZCL-MRXNPFEDSA-N 494.017 2.082 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCS(=O)(=O)NC(C)C 1705667063 LVJZXDKIRRTGDM-JOCHJYFZSA-N 493.033 2.181 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)nnc1[C@@]1(OCC)CCOC1 1705708275 AJESCYIRCBMJPK-GOYZHWMFSA-N 470.636 2.169 30 10 JEEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 1705811626 GWVLWFXQUGZMPP-HZPDHXFCSA-N 456.613 2.300 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc(-c2csc(N3CCOCC3)n2)n1CCS(C)(=O)=O 1705861409 FEBOYXDYEZFSJK-UHFFFAOYSA-N 488.639 2.475 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1 1705895215 YFNUUPTUOLHNKW-UHFFFAOYSA-N 491.637 2.382 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 1705902286 AXOPKMZRFHPKOP-ICSRJNTNSA-N 458.607 2.297 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@@H](C)CC 1705904802 YZNSYIFBFNFVDI-IRXDYDNUSA-N 450.584 2.371 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1705908289 MSIUGLHTFAHEQI-HXUWFJFHSA-N 469.521 2.093 30 10 JEEE C=CCOc1ccc(Cn2c([C@H]3CCCOC3)nnc2N2CCN(CC(=O)NCC)CC2)cc1 1705911248 CMIPFHYEMPOCPM-NRFANRHFSA-N 468.602 2.043 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@@H](COC)O[C@H](C)C1 1705933713 PXFCIBFYAWLUJY-WBVHZDCISA-N 485.006 2.448 30 10 JEEE CCOC(=O)N[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(OC)CCOC2)C1 1710382975 DUDMSFZNGKGPPC-CYFREDJKSA-N 484.557 2.249 30 10 JEEE CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1Cc1ccc(OC)cc1 1710729387 CBWWJSQVIAKZQL-UHFFFAOYSA-N 450.547 2.112 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc2c(c1)C(=O)NCC2 1722294413 HAECNNOJJFKNIC-DYESRHJHSA-N 494.596 2.379 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2CC2CCS(=O)(=O)CC2)c1 1722310690 ZEPLIPSRICWESJ-FQEVSTJZSA-N 485.610 2.053 30 10 JEEE C#CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1722314323 LPVGEAOHSRRHBQ-SJORKVTESA-N 480.660 2.300 30 10 JEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2OCC)CC1 1722322944 AASWNADMKZVLQE-SFHVURJKSA-N 460.604 2.027 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCN1CCCCCC1)[C@H]1CCS(=O)(=O)C1 1722365324 DEWRUWUGKZMZLE-FQEVSTJZSA-N 456.616 2.151 30 10 JEEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1CC1CCCC1)[C@@H]1CCS(=O)(=O)C1 1722372575 ZMADCRWUCLZZAJ-QGZVFWFLSA-N 461.613 2.087 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(NC(C)=O)nc1 1722421997 PPPLEJLEJMMGRV-FQEVSTJZSA-N 496.568 2.361 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2Cc2cccc(C(OC)OC)c2)CC1 1722448370 SRIQVAMERQIKRB-QFIPXVFZSA-N 481.597 2.478 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2CC2([S@@](C)=O)CC2)CC1 1722449872 SEXWKKGHLHLSES-MGBGTMOVSA-N 469.611 2.042 30 10 JEEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCN(c2nccc(OCC)n2)CC1 1722463272 WWGDDJVOIZBMBD-UHFFFAOYSA-N 464.599 2.146 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(Cc1cccs1)C[C@@H]1CCCO1 1722692224 IZCGSKTUNBUIGB-KRWDZBQOSA-N 458.588 2.063 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1722699024 QMTKOFFQYYVGIK-QFIPXVFZSA-N 463.586 2.058 30 10 JEEE C=CCNC(=O)Cn1c(N2CCO[C@H](c3ccccc3Cl)C2)nnc1[C@@]1(OCC)CCOC1 1722703773 HKYGPEHGDLAFBO-WMZHIEFXSA-N 475.977 2.464 30 10 JEEE CC(=O)N1CCN(CCn2c([C@@H](C)Oc3ccccc3F)nnc2N(C)C[C@@H](C)C#N)CC1 1722795349 HRJFKZXNBVLQPV-ZWKOTPCHSA-N 457.554 2.317 30 10 JEEE Cc1nn(C)c(C)c1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1725817790 FDPHWEZMHPIJTP-INIZCTEOSA-N 482.614 2.328 30 10 JEEE CCc1nnc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(C(=O)CN(CC)CC)CC2)s1 1727487212 BVIFWXURDAFFND-UHFFFAOYSA-N 493.641 2.269 30 10 JEEE CO[C@]1(Cn2c(CC(C)(C)C)nnc2N2CCN(c3nccnc3C#N)C[C@@H]2C)CCOC1 1729948624 FDVXMMQYWNRVAA-SBUREZEXSA-N 454.579 2.049 30 10 JEEE COc1cc(OC)c(CCn2c(C(=O)N3CCCC3)nnc2N2CC[C@](F)(C#N)C2)c(OC)c1 1730007694 CWPXYFXCOHVNSN-QHCPKHFHSA-N 472.521 2.225 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1ccc(C(=O)NCC)cc1)[C@@H]1CCS(=O)(=O)C1 1740622630 FFWQQXIRMIJWOO-OAQYLSRUSA-N 492.605 2.073 30 10 JEEE C#CCN(c1nnc(C2CC2)n1CCCCn1cc(Br)cn1)[C@@H]1CCS(=O)(=O)C1 1740623284 QVGPKFZPJDSMKC-QGZVFWFLSA-N 481.420 2.222 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1740646785 BUBGGZBLZNMAHE-LJQANCHMSA-N 477.594 2.080 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCN1CCCCC1=O 1740681078 BEMCIKYDPJONLW-UHFFFAOYSA-N 453.543 2.205 30 10 JEEE C#CCN1CCN(c2nnc(-c3nn(CCC)c(=O)c4ccccc34)n2CCOCC(F)F)CC1 1740695126 FZEPJVYNVWVOQN-UHFFFAOYSA-N 485.539 2.102 30 10 JEEE C=C(Br)Cn1c(-c2ccccn2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1740741597 OAHAYKYZLFAMPJ-BEFAXECRSA-N 474.407 2.238 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1740752580 YEUBMUCGQIFIHU-BVSLBCMMSA-N 474.650 2.479 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@H](C)C1 1740752917 CMKHNUQDRDIZTQ-QFUCXCTJSA-N 475.615 2.402 30 10 JEEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)c2ccccc2)CC1 1740787037 YAOMTNGXRMTMRL-UHFFFAOYSA-N 475.553 2.481 30 10 JEEE C=CCCOCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1740881089 WWIJPEAQDJOGOJ-HXUWFJFHSA-N 495.584 2.213 30 10 JEEE C=CCOc1ccccc1Cn1c(N2CCN(C(=O)C(=O)N3CCCC3)CC2)nnc1C(C)(C)C 1740971186 JOOXJTMVPVMXRN-UHFFFAOYSA-N 480.613 2.460 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](c2ccc(F)cc2)N(C)C)C1 1740980053 GZSCMGBOVQILOK-TYPHKJRUSA-N 477.606 2.404 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CCC(=O)NC(C)(C)C)C1 1740983294 FWDVZHZQVIVLGP-INIZCTEOSA-N 460.604 2.356 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1C[C@H](c2ccc(F)cc2)O[C@H](C)C1 1740990618 XMOWEVKJILTJAL-OXQOHEQNSA-N 472.546 2.441 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CC[C@@](C)(C(N)=O)C2)nnc1C1(c2ccccc2)CCC1 1740993896 JQYCGNUULWDLDM-JOCHJYFZSA-N 457.600 2.051 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cn(C)c3ccccc23)n1CCS(=O)(=O)N1CCSCC1 1748662704 ZNWWIIVJWGUUBW-QGZVFWFLSA-N 472.640 2.273 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CCS(=O)(=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1748807748 CFJPDFFMSSOTDO-HXUWFJFHSA-N 492.667 2.348 30 10 JEEE C#CCN(c1nnc(-c2c[nH]c3ccccc23)n1CCNC(=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1748811188 DAADJCGMSMQJPA-KRWDZBQOSA-N 482.610 2.215 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@H](C(CC)CC)N(C)C)[C@H]1CCS(=O)(=O)C1 1748812126 QNLFNUZVGNNPJN-PZJWPPBQSA-N 460.648 2.277 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCNC(=O)c2cc[nH]n2)CC1 1748999341 QQUVDBHQQPQOOZ-UHFFFAOYSA-N 490.612 2.063 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)cc2)n1CCNS(C)(=O)=O 1749058396 HICDUYJTUCECKV-GOSISDBHSA-N 452.378 2.249 30 10 JEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 1749456989 CULGHGJGQDPRHK-MOPGFXCFSA-N 481.663 2.152 30 10 JEEE C=CCNC(=O)Cn1c(N(C)Cc2ncc(Cl)n2C)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1749681589 DYLYPZFGONTNAM-GASCZTMLSA-N 493.012 2.374 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(CCc3ccccc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1749716770 AWIVISFZTZPJEU-SFTDATJTSA-N 459.616 2.126 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCN(CC)[C@H](C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1749739964 ONIGPFHQFSCILQ-QRVBRYPASA-N 496.678 2.180 30 10 JEEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 1749754468 NLYAVOUPOJJVBC-GOSISDBHSA-N 454.600 2.172 30 10 JEEE CC1(C)COCCN1CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](CC(N)=O)C1 1751300030 AVOCRMVARIDVGE-LJQANCHMSA-N 451.575 2.019 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CCOCCS(C)(=O)=O 1760105438 PBKYYPCJGAKAMS-CQSZACIVSA-N 485.404 2.235 30 10 JEEE C#CCCCCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1760138885 LELWVXQWSKRAOL-MRXNPFEDSA-N 451.543 2.469 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H]1CCCN(CC(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1760183983 FUENPFLTMDXHCV-LEWJYISDSA-N 470.643 2.335 30 10 JEEE C#CCN(c1nnc(Cn2ccc3ccccc32)n1C[C@@H](CC)OC)[C@@H]1CCS(=O)(=O)C1 1760191995 OYRDBUCPWHAQRX-WOJBJXKFSA-N 455.584 2.333 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCNC(=O)OC(C)(C)C)CC1 1760267098 DRKGQSNMENADBE-UHFFFAOYSA-N 487.992 2.484 30 10 JEEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@H](C(F)(F)F)C1 1760279802 KAWAWKRENQGYDB-INIZCTEOSA-N 478.500 2.326 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1760312942 GVYTVJBTPHBCSG-WDSOQIARSA-N 467.636 2.191 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCCCO2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1760355905 ABWLMLOPEGCMHJ-SFHVURJKSA-N 496.659 2.388 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nccs1 1760480350 RXVRHGICOVFBRM-LJQANCHMSA-N 499.622 2.180 30 10 JEEE CC[C@@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1Cc1cccn(CC)c1=O 1761884140 FYNWYDGXLGMWPH-MSOLQXFVSA-N 461.574 2.398 30 10 JEEE CC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1)OC 1762337093 GADBZHCPULLIMF-HXUWFJFHSA-N 478.557 2.299 30 10 JEEE C=CCOC(=O)NS(=O)(=O)c1ccc(CCNC(=O)Cc2ccc(OC)c(OC)c2)cc1 1859011852 SPROVAROCWHQGI-UHFFFAOYSA-N 462.524 2.206 30 10 JEEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccccc1[N+](=O)[O-] 1862740540 TVLOPCLSYMGZNB-GOSISDBHSA-N 454.395 2.217 30 10 JEEE CCOC(=O)c1ccccc1NC(=O)[C@@H](CO)NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1 1866865773 AIUUACNTWRXBBP-UXHICEINSA-N 484.578 2.317 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)Nc2ccc3c(c2)OCO3)cn1C[C@@H](C)O 1870433947 QPMHIHYPMVAZEK-QGZVFWFLSA-N 455.511 2.149 30 10 JEEE C#CCOc1cn(CCCN2CCCC2=O)c(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1=O 1870559157 SQIHDTHIEUVRMU-UHFFFAOYSA-N 493.564 2.103 30 10 JEEE COc1ccc(OC)c(/C=N/n2c(CNC(C)=O)nnc2SCC(=O)Nc2nccs2)c1 1874433282 IUXSDBBTKZJINP-LSFURLLWSA-N 475.556 2.001 30 10 JEEE CN1CCN(CC#CCOC2CCN(C(=O)c3cc(-c4ccc(F)cc4)nn3C)CC2)CC1 1889525449 WHZUBDMBXYBIDG-UHFFFAOYSA-N 453.562 2.098 30 10 JEEE CN(C(=O)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1)C1CN(c2nccnc2C#N)C1 1892256998 PRGHKIRCVPGSNW-UHFFFAOYSA-N 488.573 2.451 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)s1 2256620616 KNVNRYKHKKIUGW-UKRRQHHQSA-N 452.382 2.034 30 10 JEEE CC(C)(C)OC(=O)N[C@H](Cc1ncns1)C(=O)NCCC#CB1OC(C)(C)C(C)(C)O1 2258956897 IDRSKCRSTOPAAP-CQSZACIVSA-N 450.370 2.115 30 10 JEEE CN(C[C@@H]1CN(C(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)CCO1)C(=O)OC(C)(C)C 2267280560 ORNKMQKQKDVUTQ-OAHLLOKOSA-N 450.341 2.287 30 10 JEEE CC(C)(C)OC(=O)NCC(F)(F)CNS(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2267375569 JBIAFOMAKLNANP-UHFFFAOYSA-N 476.351 2.424 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](NS(=O)(=O)c2ccc(F)c(B3OC(C)(C)C(C)(C)O3)c2)C1 2267472586 SHBLXRXPFXDJDR-CQSZACIVSA-N 470.372 2.413 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H](CNC(=O)OCc1ccccc1)C(F)(F)F 2267493481 ZVGSTPQZNGZQJM-MRXNPFEDSA-N 496.295 2.306 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CCNC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C(F)(F)F 2267526555 UOHVISJGGQVNFP-LBPRGKRZSA-N 462.278 2.284 30 10 JEEE CC(C)(C)OC(=O)NCCCONS(=O)(=O)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2267707112 LGUWSBQVOKAQNN-UHFFFAOYSA-N 470.397 2.252 30 10 JEEE CC(C)(C)OC(=O)NC[C@@]1(C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)CCCO1 2268608731 UQDQJOXDCFPLNH-OAQYLSRUSA-N 467.397 2.132 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)c1F 2268654940 GBTPFAUMUFMITG-CZUORRHYSA-N 450.316 2.434 30 10 JEEE Cn1ncc(C(=O)N2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)c1B1OC(C)(C)C(C)(C)O1 2281825886 CEQYQOQRNFHPQS-RUZDIDTESA-N 450.392 2.458 30 10 JEEE C=CCC1(NC(=O)c2c(C)nn(C)c2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2282006100 SUPNIVQZKVJDPE-UHFFFAOYSA-N 460.384 2.323 30 10 JEEE Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H](O)C[C@@H](NC(=O)OC(C)(C)C)C1 2282127947 DZDVHYMESPEZCQ-IAGOWNOFSA-N 460.380 2.394 30 10 JEEE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1N(C)C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2282192621 ZUOJVCBWDXXGTO-DOTOQJQBSA-N 460.384 2.493 30 10 JEEE CC(C)(C)OC(=O)N1CC(CCCNS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282329214 JPVCEZDUQVLNQT-UHFFFAOYSA-N 481.424 2.306 30 10 JEEE C[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1S(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2282346566 WVEILYOZRYACSJ-CZUORRHYSA-N 476.326 2.206 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@@H]1CNC(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1F 2282401971 YUTRRQSJEBLKIJ-HNNXBMFYSA-N 464.343 2.491 30 10 JEEE CCc1nn(C)c(C(=O)N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2282561811 USKFSASXCSOELG-OAHLLOKOSA-N 462.400 2.363 30 10 JEEE Cn1cc(C(=O)N2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2282576502 RLFDNLDTGHMRAD-RUZDIDTESA-N 450.392 2.458 30 10 JEEE CC(C)(C)OC(=O)N1CCN([S@](C)(=O)=NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)CC1 2282631874 CMVRKHKSVJMQBH-MGBGTMOVSA-N 483.396 2.285 30 10 JEEE CN(C)C(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2282834308 SAYINCMFFMLXKS-UHFFFAOYSA-N 476.379 2.404 30 10 JEEE C[C@@H](c1nscc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)[C@@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C 2283954157 BKMCPWRDYOFEIN-LZWOXQAQSA-N 481.424 2.332 30 10 JEEE Cc1nc(NC(=O)c2c[nH]nc2CNC(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2284045235 KGOKQHMHESGXIA-UHFFFAOYSA-N 458.328 2.084 30 10 JEEE C[C@H](NC(=O)C12CC(NC(=O)OC(C)(C)C)(CO1)C2)c1nscc1B1OC(C)(C)C(C)(C)O1 2284066780 YPRDFDGXWKDYEO-MFBUALDNSA-N 479.408 2.446 30 10 JEEE CC(C)(C)OC(=O)N1CC(N2CC(C(=O)NCc3sccc3B3OC(C)(C)C(C)(C)O3)C2)C1 2284352903 YWTDYFGBPJUUJX-UHFFFAOYSA-N 477.436 2.215 30 10 JEEE CC1(C)OB(c2nscc2C(=O)NC2(C(=O)O)CCN(Cc3ccccc3)CC2)OC1(C)C 2284467987 KHYJVMXUJIULJP-UHFFFAOYSA-N 471.388 2.292 30 10 JEEE CC1(C)OB(c2ccc(Cn3cncc(I)c3=O)c(F)c2)OC1(C)C 2343026159 MQGKLAVLDCRUII-UHFFFAOYSA-N 456.064 2.335 30 10 JEEE CCn1cc(C(=O)N[C@H]2C[C@@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)nc1B1OC(C)(C)C(C)(C)O1 2359268526 TZJSXRJHWUELCP-HLLBOEOZSA-N 460.384 2.330 30 10 JEEE Cn1ncc(C(=O)N[C@]2(C)CN(C(=O)OC(C)(C)C)CC2(F)F)c1B1OC(C)(C)C(C)(C)O1 2361543151 HFAJWUFOINZLEL-HXUWFJFHSA-N 470.326 2.094 30 10 JEEE C=CCC1(NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)nc(C)n2C)CN(C(=O)OC(C)(C)C)C1 2362490722 WKZPCFZFOYYLNT-UHFFFAOYSA-N 460.384 2.323 30 10 JEEE COc1ccc(C(=O)OCC(=O)Nc2sc(C)c(C)c2C#N)cc1S(=O)(=O)N1CCOCC1 3353760 BCPYBDYHUDDIGP-UHFFFAOYSA-N 493.563 2.062 30 10 JEEE COc1ccc([C@@H]2c3c(nc(N4CCCC[C@H]4C)[nH]c3=O)NC(=O)[C@@H]2C#N)c(OC)c1OC 72444452 MCRZVFRCCIANLL-XPKDYRNWSA-N 453.499 2.398 30 10 JEEE COc1ccccc1N1CCN(CC(=O)N[C@H]2CC[C@H](Oc3nccnc3C#N)CC2)C1=O 238937791 VSFGNWLYPKZDKK-QAQDUYKDSA-N 450.499 2.105 30 10 JEEE S=C(NN=Cc1ccc(N2CCOCC2)cc1)NN=Cc1ccc(N2CCOCC2)cc1 254792876 JGHPSJVADTZQOZ-UHFFFAOYSA-N 452.584 2.192 30 10 JEEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2cc([N+](=O)[O-])ccc2Cl)c(=O)n1CCc1ccccn1 726181870 GUYHFWYTMCUENG-UHFFFAOYSA-N 497.964 2.137 30 10 JEEE C=C(C)COc1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CCOC)c2=O)ccc1OC 748064667 YACNKCUHXOUMKO-UHFFFAOYSA-N 468.575 2.392 30 10 JEEE C=CCC1(C(=O)NC2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)CCOCC1 1126312088 LPPXMULNLAZAJM-UHFFFAOYSA-N 452.573 2.346 30 10 JEEE N#Cc1sccc1N1CCN(S(=O)(=O)c2cccc(C(=O)NCC(F)(F)F)c2)CC1 1212489982 BYISTBKKYSBJGG-UHFFFAOYSA-N 458.487 2.423 30 10 JEEE C#C[C@H](NC(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F)c1ccc(Br)cc1 1217656446 DLFGZMOWPUTAKA-QWHCGFSZSA-N 456.284 2.245 30 10 JEEE Cc1nn(C)c(N2CCN(C(=O)NCC3(C)CCN(C(=O)OC(C)(C)C)CC3)CC2)c1C#N 1230769913 AFJBMFQOVWSMTR-UHFFFAOYSA-N 459.595 2.469 30 10 JEEE C#CCN(c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@H](C)COC)[C@H]1CCS(=O)(=O)C1 1286389427 JYEGAAFYCQQFAH-NQIIRXRSSA-N 468.583 2.040 30 10 JEEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C)Sc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1286390011 VECCKSKQCTULDL-LMMKCTJWSA-N 473.624 2.037 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2C[C@]2(C)COCCO2)CC1 1286474985 ULDQOMYBAGWQEF-RUZDIDTESA-N 469.586 2.303 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H]2CCOC[C@@H]2C)CC1 1286485409 KKRLFWIOWGJKOE-JSXRDJHFSA-N 472.634 2.477 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccccc2Cl)CC1 1286485423 LDFXVGPSMJEBSD-UHFFFAOYSA-N 454.962 2.182 30 10 JEEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)c1ccc(F)cc1 1286508937 LFDOAEKPYLIZEG-QFBILLFUSA-N 481.619 2.314 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCCN(CC)C(=O)C1 1286552419 MIOMMBMFBBYQPS-SIKLNZKXSA-N 487.626 2.388 30 10 JEEE C=C(Cn1c(N2CCN(CC(=O)N(C)C)CC2)nnc1[C@]1(OC(C)C)CCOC1)c1ccccc1 1286619043 MILLUKYBLSHTIT-SANMLTNESA-N 482.629 2.242 30 10 JEEE C=CCCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1286686823 KKXPVIXQPFAQSC-CRAIPNDOSA-N 452.515 2.310 30 10 JEEE C=CCn1c(C(C)C)nnc1N1C[C@H](NC(=O)OC(C)(C)C)C2(CCS(=O)(=O)CC2)C1 1286768898 BCGVVJSVNWWILI-INIZCTEOSA-N 453.609 2.496 30 10 JEEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CC1CN(C(=O)OCc2ccccc2)C1 1286774681 BFUQLILDXAUCSB-LJQANCHMSA-N 459.572 2.071 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCN(c2ccccn2)CC1 1286792810 IUMADBMLBDXHAX-UHFFFAOYSA-N 451.506 2.020 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N(C)Cc1nc(O)c2ccccc2n1 1286820513 MQEMYGKRLXGBNR-GOSISDBHSA-N 472.571 2.406 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1CCN(C)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1300488992 YJGWSIIAFYASSQ-OAQYLSRUSA-N 464.595 2.099 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1CCN1CC=CCC1)[C@H]1CCS(=O)(=O)C1 1300499763 WRLLULQEUONEII-QFIPXVFZSA-N 453.612 2.066 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1CCCN(C)CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1300500748 CTTTVRVKXKJGJK-KRWDZBQOSA-N 489.589 2.441 30 10 JEEE C#CCN(c1nnc(CCOc2ccccc2)n1C[C@@H]1CCC[C@@H](O)C1)[C@H]1CCS(=O)(=O)C1 1300501940 ONNGIQMDQVXPOA-QHAWAJNXSA-N 472.611 2.077 30 10 JEEE C#CCN(c1nnc(CCCc2ccccc2)n1Cc1cc(C)no1)[C@@H]1CCS(=O)(=O)C1 1300502809 XUSCCVIUVWOHQU-HXUWFJFHSA-N 453.568 2.425 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1CCN1CCCCCC1)[C@@H]1CCS(=O)(=O)C1 1300504675 QAIXAJXYNZPDIE-HXUWFJFHSA-N 489.617 2.499 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H](C)c1ccc(OC)cc1 1300578074 GWKVBYRDURKNER-REWPJTCUSA-N 499.637 2.276 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@H]2NC(=O)CC2(C)C)CC1 1300683971 VGLRURJELHFSKX-YLJYHZDGSA-N 454.550 2.227 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2C[C@@H](C)CN2CCOCC2)CC1 1300718911 IJSKKWXLWKKGJM-IBGZPJMESA-N 468.577 2.018 30 10 JEEE C#CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CC(=O)N(C)C[C@H]1C 1300741334 UFZJWPJYSCKAOT-CYBMUJFWSA-N 451.394 2.079 30 10 JEEE C#CCSCCn1c(CCOc2ccccc2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1300767647 CVORKKQAJKRUQI-FQEVSTJZSA-N 489.667 2.270 30 10 JEEE C=C(Br)Cn1c(N2CCC(N(C)C(C)=O)CC2)nnc1[C@]1(OCC)CCOC1 1300861241 CSTYLHLLXTVFBR-IBGZPJMESA-N 456.385 2.286 30 10 JEEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1300863835 UTZCQUVEQXMVIA-OAHLLOKOSA-N 452.357 2.442 30 10 JEEE C=CCCOCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1301253210 WSLUMAUWZUXXCF-GOSISDBHSA-N 495.584 2.500 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN([C@H](C)c2nc(C(C)C)no2)CC1 1301569502 XRYVHLGYNATPNJ-QGZVFWFLSA-N 465.624 2.392 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(C(F)(F)F)cc1 1301585672 NLSLICCAKBLVOB-INIZCTEOSA-N 471.505 2.485 30 10 JEEE CC(C)(C)S(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1302313030 GLEGNSUAISVHMQ-PMACEKPBSA-N 473.599 2.414 30 10 JEEE N#Cc1ccc(CN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)C2CC2)cc1 1307606108 FGYPZYKOUKTJID-UHFFFAOYSA-N 456.543 2.195 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC[S@@](=O)C(C)(C)C 1358878487 XMDQSNXITLRVQT-XHDOVSQSSA-N 465.645 2.201 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2Cc2cnn(CCOC)c2)c1 1358902682 WJNIJDXLDBHYAW-OAQYLSRUSA-N 477.569 2.120 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCC(=O)Nc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1358961685 DBCZDGYEEKTOQO-UXHICEINSA-N 471.583 2.175 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CC[C@](C)(CC)O1)[C@@H]1CCS(=O)(=O)C1 1358966753 VZPKGANNAYKVFN-QTEQDKRBSA-N 474.631 2.114 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCO[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1358967973 WULSFMRPHQNIBT-PLACYPQZSA-N 494.658 2.019 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCNS(=O)(=O)Cc1ccon1 1358972607 LGEMSAZWUKHYJH-KRWDZBQOSA-N 498.634 2.312 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@](C)(O)CCOC 1359007881 ZSJUHKAQXUZAFC-XMMPIXPASA-N 452.559 2.483 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCc2nccnc2C)CC1 1359035527 WSTHNWHEDNCXOF-NRFANRHFSA-N 494.644 2.489 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCc2cc(C)cc(C)c2)CC1 1359040417 UFCLZQGEJPQSGE-UHFFFAOYSA-N 450.587 2.242 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2cccnc2OCC)CC1 1359041691 FNCOOWYWIBTIPX-AREMUKBSSA-N 496.612 2.127 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCOc2cc(C)cc(C)c2)CC1 1359043668 CUBMGLTZTQHIBT-UHFFFAOYSA-N 461.570 2.340 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CCc2cc(C(F)(F)F)ccn2)CC1 1359047519 JVXZVVVUJZLMDF-UHFFFAOYSA-N 464.492 2.437 30 10 JEEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)Cc2cccc(OC)c2)CC1 1359056262 BMDHZYPLBQVGQT-NRFANRHFSA-N 483.638 2.438 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(C)(C)C)CC1 1359099771 SUWLHCTVVDLLBO-QRVBRYPASA-N 451.637 2.082 30 10 JEEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1359130676 SVRXENRDBDTLGL-FQEVSTJZSA-N 469.634 2.446 30 10 JEEE C=CCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1359223275 GCWLPNPHHDWRLU-DENIHFKCSA-N 489.642 2.098 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccoc1 1359259230 OWVIAUSRMHCYGP-HXUWFJFHSA-N 457.556 2.445 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC([C@H](O)c2ccc(F)cc2)CC1 1359298103 NARDQEQWXFTSSW-OAQYLSRUSA-N 451.506 2.126 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](c2ccsc2)N(C)C)C1 1359322235 RZKQYYRDZLPZIO-IPMKNSEASA-N 465.645 2.326 30 10 JEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC(c2ccsc2)CC1 1359334829 RLFNUKKGHVYQBE-UHFFFAOYSA-N 463.629 2.447 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@](C)(Cc2ccc(F)cc2)C(=O)OC)s1 1455222773 FSKIHKJUDIFKDV-FQEVSTJZSA-N 454.545 2.185 30 10 JEEE CCOC(=O)c1c(NC(=O)NCc2c(Br)cnn2C)c(C#N)cn1CCOC 1476378424 FZDDCVBYJZSCCY-UHFFFAOYSA-N 453.297 2.001 30 10 JEEE CCNC(=O)C(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C(=O)OC)CC1 1502389316 ABGJUNSAJAPAHJ-UHFFFAOYSA-N 468.558 2.280 30 10 JEEE CSC1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@H](CNC(C)=O)C2)CCOCC1 1505186845 HUSFVKOPQVQMRK-HXUWFJFHSA-N 470.599 2.070 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H]1CCS(=O)(=O)C1 1507533163 PWHDHYWDODKFTJ-IRXDYDNUSA-N 465.620 2.285 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCN(C)CCOC 1507538325 LMWZLVDQLBIOFH-MOPGFXCFSA-N 464.611 2.013 30 10 JEEE C#CCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H](C)CN1CCN(CC)CC1 1507605631 UNMLEEJFTVKHRG-LJQANCHMSA-N 451.619 2.490 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CC(C)(C)SC)[C@@H]1CCS(=O)(=O)C1 1507624802 DNZXMHABEOTRGG-UTKZUKDTSA-N 470.661 2.087 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccc(OCCC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1507633948 VSSOJBNHIZNOAK-WOJBJXKFSA-N 488.610 2.254 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccc(C)cc1)N1CCCC1 1507642613 LOINOOXKCKRJDY-IRLDBZIGSA-N 468.627 2.107 30 10 JEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC(CC(=O)NC2CCCC2)CC1 1507753620 PEQQVDQEDVMRMQ-UHFFFAOYSA-N 472.659 2.432 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](CN2CCCCC2)C1 1507806470 OZTSTQDIBBVNGA-MHTWAQMVSA-N 480.679 2.182 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCC(CC(N)=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1507808369 GQVYGSHLARKPJX-ZCVJKFOLSA-N 461.607 2.392 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)c1ccccc1Cl 1508022068 WAPGIEUPCWNBIT-UGKGYDQZSA-N 496.033 2.351 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H](C2CC2)N(C)C)C1 1508117515 OHJGIJBLUXQBSB-FPOVZHCZSA-N 459.616 2.470 30 10 JEEE CO[C@@H]1CCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1518560740 BICYSJLAHPLJLE-HLAWJBBLSA-N 472.615 2.397 30 10 JEEE N#C[C@@H]1CN(c2nnc(-c3ccc(Br)s3)n2Cc2ccc(C(N)=O)nc2)CCO1 1521121096 GZQPEQUSPGAOAB-GFCCVEGCSA-N 474.344 2.040 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC[C@H](C(F)F)N1CCOCC1 1538977156 SPTSCOKJZBHGIK-SVMVAKDDSA-N 455.550 2.133 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCc2ccccc21 1539013900 KNCYGJGVFNBNAH-HFSMHLIXSA-N 457.600 2.189 30 10 JEEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@H](C)CN1CCOCC1 1539025407 HXMBUNJGBDELLB-RPWUZVMVSA-N 479.673 2.069 30 10 JEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 1539052671 IESUVZDXOAKPNZ-VQIMIIECSA-N 491.593 2.231 30 10 JEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(O)(Cc2ccccc2F)CC1 1539053368 QIZIPCNZWXSKFO-SFHVURJKSA-N 477.606 2.405 30 10 JEEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1539078877 HHIHLDYCENLMCM-DEOSSOPVSA-N 474.613 2.292 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1C[C@H]1CC=CCO1)[C@@H]1CCS(=O)(=O)C1 1539230966 RUYKCPNBNMHXNE-IFMALSPDSA-N 470.595 2.446 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@](C)(O)CCC)[C@@H]1CCS(=O)(=O)C1 1539231252 UHKVUYGTLSXJOY-AUSIDOKSSA-N 460.600 2.343 30 10 JEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CCC(=O)N1CCCCCC1 1539288476 GXZKXUCRWPTUPM-UHFFFAOYSA-N 452.584 2.135 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CC(F)(F)CO1 1539325261 DXQPRBLQNLZJJN-ROUUACIJSA-N 479.528 2.474 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(F)c1 1539631239 KKJLETULQCUGLO-JBACZVJFSA-N 493.605 2.368 30 10 JEEE C=C(C)COCCn1c(N2CCCC[C@@H](S(C)(=O)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1539758833 AEXAZGGDBKFXRK-KNQAVFIVSA-N 470.636 2.315 30 10 JEEE C=C(Cl)Cn1c(Cc2ccccc2OC)nnc1N1CCN(Cc2nc(COC)no2)CC1 1539809893 CKJWGGBEZDWZDE-UHFFFAOYSA-N 473.965 2.482 30 10 JEEE C=CCn1c(-c2ccc(OC)c(Br)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1540856038 OFFPCJLGJYYDCT-UKRRQHHQSA-N 451.321 2.262 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(c2cccnn2)CC1 1540907282 QRKFQCQASDZUSA-UHFFFAOYSA-N 497.625 2.191 30 10 JEEE CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC(=O)Nc1ccc(F)cc1 1548170698 BEKLIZANJBMDBS-UHFFFAOYSA-N 464.505 2.186 30 10 JEEE CN(C)[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](C#N)C1)c1ccsc1 1552748836 DKSVPHYRGQYOFR-SJORKVTESA-N 452.544 2.019 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 1587562965 VURMGHRXUJDGPM-BBWFWOEESA-N 480.635 2.136 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1587633226 SKCASKZFMJVTJD-SLNYWTKHSA-N 497.600 2.377 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1(C)COC1)[C@@H]1CCS(=O)(=O)C1 1588075155 ZFZVGFLEESDWPU-MSOLQXFVSA-N 493.630 2.013 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1588181467 UYCAUDQHRQWDTB-APWZRJJASA-N 452.490 2.008 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc(Cl)cc3F)n2Cc2cnnn2C)n1 1588724399 YJKXGLHKUAHOBB-UHFFFAOYSA-N 483.939 2.397 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2C[C@@H](CC)OC)CC1 1588923556 DMGLBIKFODEAFS-LJQANCHMSA-N 491.596 2.066 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc(OC)c(OC)c1OC 1589149904 AWAHCNDNMXQWCR-WAIKUNEKSA-N 491.614 2.149 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCCN2CCC[C@@H](C)C2)CC1 1594097764 YEHDLUYMAGXHCM-NHCUHLMSSA-N 480.679 2.280 30 10 JEEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2cnc(C)s2)CC1 1594733570 VIMFGOSDPVIBNT-QGZVFWFLSA-N 450.634 2.234 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1595506612 HFVANNYAPLMONS-IEBWSBKVSA-N 461.950 2.294 30 10 JEEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C2CCCC2)CC1 1595570029 UUNZTASLRNIBPY-UHFFFAOYSA-N 452.603 2.439 30 10 JEEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)c1 1597823816 NCWWSDOIQYKIMV-SFHVURJKSA-N 451.907 2.479 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H](C(=O)Nc2cn[nH]c2)c2ccccc2)ccc1F 1636603277 RBPHCGKAKIVGPX-LJQANCHMSA-N 457.487 2.123 30 10 JEEE C#CCN(C(=O)Nc1ccc(OCCNC(=O)OC(C)(C)C)cc1)[C@H]1CCS(=O)(=O)C1 1670186809 VAQUQRBVHJXJPH-KRWDZBQOSA-N 451.545 2.244 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCCO3)n2CCS(=O)(=O)CC=C)c1 1689872242 SEOLKCQWOQRSJB-FQEVSTJZSA-N 471.583 2.177 30 10 JEEE C#CCCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1689878696 RWHLIQIUDLYLHO-SFHVURJKSA-N 496.568 2.247 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCCn2cc(C)nc21 1690006450 PNWMEMYUTONBQR-NRFANRHFSA-N 491.621 2.351 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCN2CCOC[C@@H]2C)CC1 1690111739 ITJBMLDKKCONPB-VQTJNVASSA-N 456.566 2.033 30 10 JEEE C#CCN1CCN(c2nnc(CCCOc3ccc(Cl)cc3C)n2Cc2ncn(C)n2)CC1 1690130115 ACDJGPOEYJQGFJ-UHFFFAOYSA-N 468.993 2.184 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ncnn2C(C)(C)C)CC1 1690139391 KQNNXKQIBRWBEW-UHFFFAOYSA-N 471.569 2.177 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(C)(C)COC)CC1 1690139551 RBILRLFMHRRFLQ-UHFFFAOYSA-N 454.531 2.492 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1690313274 PIFWFXOSZGZOBC-BHIFYINESA-N 474.650 2.001 30 10 JEEE C=C(C)COCCn1c(N2CCN(C(=O)c3ccccc3O)CC2)nnc1[C@@]1(OCC)CCOC1 1690320127 KKVZZRGIVGGJQB-RUZDIDTESA-N 485.585 2.191 30 10 JEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2cccc(Cl)c2)CC1 1690470584 GBLFEXXKJURILW-INIZCTEOSA-N 481.022 2.470 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 1690670607 FTLZXJJGHOGBDP-QGZVFWFLSA-N 470.530 2.430 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@H](C(=O)NC)C1 1690715502 MZJMVSQLLOCCBZ-VQTJNVASSA-N 459.616 2.383 30 10 JEEE C=CCSCCn1c(-c2cccc(C)n2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1690742138 HPKCHZDLTVVNDR-UHFFFAOYSA-N 450.634 2.428 30 10 JEEE CN(CC(=O)N1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1Cc1cc(COC(C)(C)C)on1 1696653567 BKFHWMJBIYQEIB-UHFFFAOYSA-N 493.568 2.463 30 10 JEEE CO[C@@H]1CCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1697647043 CNWAWRPTYNWVCY-UYAOXDASSA-N 458.588 2.150 30 10 JEEE CS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(=O)NC2CCCCC2)CC1 1698318501 AZGPKCAYLLIKKC-UHFFFAOYSA-N 499.641 2.031 30 10 JEEE C#CCN(c1nnc([C@@H]2COc3ccccc3O2)n1CCCOCC(F)F)[C@@H]1CCS(=O)(=O)C1 1705564480 CKIBTDRKPJNAFZ-APWZRJJASA-N 496.536 2.089 30 10 JEEE C#CCN(CC#C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CC1(O)CCS(=O)(=O)CC1 1705574805 NVAZCPMKCDAAMS-UHFFFAOYSA-N 495.630 2.390 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCc2ccsc2)CC1 1705634350 SFKFTOZGSBLKPF-UHFFFAOYSA-N 484.651 2.255 30 10 JEEE C#CCN1CCN(c2nnc(-c3nn(C(C)C)c(=O)c4ccccc34)n2C[C@@](C)(O)CC)CC1 1705638858 ZKFPSAVRKFLVHX-VWLOTQADSA-N 463.586 2.152 30 10 JEEE C#CCN1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CCC(=O)N2CCOCC2)CC1 1705643584 LHRVOOZKRWSQGA-UHFFFAOYSA-N 489.045 2.228 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(OCC=C)cc2)CC1 1705647641 JLULXPBIPTVZQE-UHFFFAOYSA-N 457.538 2.314 30 10 JEEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCCN(CC(F)(F)F)CC1 1705659184 NXOCXDCSCMWWPU-UHFFFAOYSA-N 470.521 2.447 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1705701084 CFAULDAHOKWKHV-RXVVDRJESA-N 492.646 2.488 30 10 JEEE C=C(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1705724649 DJPSNKJWGWTESM-KRWDZBQOSA-N 464.574 2.207 30 10 JEEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCN([C@@H](C)c2nc(CC)no2)CC1 1705892144 DOJLEQHZJOFAEB-HNNXBMFYSA-N 456.576 2.284 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC2CCOCC2)C1 1705919613 HLMDCIWIFXQQRX-FQEVSTJZSA-N 475.615 2.403 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1705937043 GUABRGGWNCHUGT-IBGZPJMESA-N 458.632 2.175 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1705937502 WHTGMLSLDMASLZ-IRXDYDNUSA-N 451.618 2.097 30 10 JEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](CN2CCCCC2)C1 1705946616 MLGYZHKTFDSHHP-OALUTQOASA-N 453.678 2.412 30 10 JEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1722326500 URBXHEJBBMRJBF-FQEVSTJZSA-N 493.655 2.012 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCOC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1722359350 LRRRGQKMHLZOHH-IMFGXOCKSA-N 473.555 2.153 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCC(=O)NC1CCCCC1 1722375994 WHVFPZDHYOMHJP-UHFFFAOYSA-N 467.595 2.260 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)c1ccc2c(c1)OCO2 1722390749 UICRIRYIAYLDDA-KRWDZBQOSA-N 471.583 2.058 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2C[C@@]2(N(C)C)CCSC2)CC1 1722444758 FMBQZQPUEYXMPS-DEOSSOPVSA-N 470.618 2.487 30 10 JEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1722603248 HJMCJBXWPKDMMF-CTNGQTDRSA-N 480.679 2.278 30 10 JEEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2c(F)cccc2Cl)CC1 1722685796 NENQFGJVWKVWAF-AWEZNQCLSA-N 467.954 2.121 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C(C)(C)C)CC1 1722693070 CPGCGXREHTZGGT-UHFFFAOYSA-N 450.385 2.258 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCOC(C)(C)[C@H]1C 1722728589 RVRJFZVAELDJNN-GOSISDBHSA-N 489.646 2.057 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(OC)cc2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1722732155 VQVUGAOETRUQFR-NQIIRXRSSA-N 476.599 2.472 30 10 JEEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C)c2ccccc2C1 1722732241 IYAPSWFZDSPWKZ-MRXNPFEDSA-N 450.634 2.264 30 10 JEEE COCCC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1730618428 GPUGJPGTTUVWAI-UHFFFAOYSA-N 453.591 2.090 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@H](SCC)C1 1740591886 QSSKPSIHHPPQRE-ZWKOTPCHSA-N 455.650 2.136 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCc1cccnc1)[C@H]1CCS(=O)(=O)C1 1740618636 AEKNVVYGQXVHCN-FQEVSTJZSA-N 451.552 2.218 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H](c2ccc(C)cc2)N(C)C)CC1 1740692674 NYLKSABAIRWALX-ZEQKJWHPSA-N 466.630 2.297 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CCCN(C)C(=O)OC(C)(C)C)CC1 1740707422 BHNWYFZNBJRMKO-UHFFFAOYSA-N 462.595 2.037 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1740766328 HEYYIZAUKLNOJT-PMVMPFDFSA-N 468.602 2.144 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C(=O)N2CCCCC2)cc1 1740900013 SGMRQKNNXMAOQO-HXUWFJFHSA-N 457.600 2.477 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)C(C)C 1740920669 FGFVWCXXHKHQDH-NZQKXSOJSA-N 495.621 2.350 30 10 JEEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cc2c(cc1OC(F)F)OCO2 1740947240 VOPQPDXURRVZSU-LBPRGKRZSA-N 456.471 2.333 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC(C(=O)NCc2ccc(C)c(F)c2)CC1 1740965692 KWIRTYQMYSVCMC-OAQYLSRUSA-N 484.576 2.412 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2ccc(C(N)=O)nc2)C1 1740985221 DLLZUMMYEDEBLU-OTWHNJEPSA-N 497.600 2.372 30 10 JEEE C#CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCn1cc(Br)cn1 1748784643 DSLRGIQMWMGJDA-UHFFFAOYSA-N 453.304 2.323 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCc1cc(F)cc(F)c1)[C@@H]1CCS(=O)(=O)C1 1748818489 ZXXXXDOTNMRGKZ-YLJYHZDGSA-N 464.538 2.320 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(F)ccc2Br)n1CCCn1cc(CO)nn1 1748831082 GIBNSWXTIGTIOM-UHFFFAOYSA-N 472.322 2.094 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccnc(N2CCCCC2)c1 1748891800 GHVIUMMKCFLHIV-NRFANRHFSA-N 466.611 2.077 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@H](COC)OC)CC1 1749003636 QEAKNGSYXGRCDX-OAHLLOKOSA-N 496.431 2.396 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2oc(CC)nc2C)CC1 1749015914 RNTBWPSAKVQNRT-UHFFFAOYSA-N 495.609 2.143 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C)=C(C)C1 1749669349 JRHFZKDONNFNMD-SFHVURJKSA-N 460.579 2.435 30 10 JEEE C=CCNC(=O)Cn1c(N2CCO[C@@H](c3ccc(F)cc3F)C2)nnc1[C@]1(OCC)CCOC1 1749681880 KBOAOJPRNKQYMZ-XXBNENTESA-N 477.512 2.089 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CN(Cc3ccccc3)CCCO2)C1 1749693652 LCSNDDSCDRBBAD-XZOQPEGZSA-N 482.629 2.489 30 10 JEEE C#CCCCCn1c(-c2ccc[nH]2)nnc1N1C[C@@H]2[C@@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1760135767 IGQSWACQYCDXMC-NEWSRXKRSA-N 488.614 2.203 30 10 JEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCNC(=O)c1ccccc1F 1760175203 WFNOGEYQBIPPQE-LJQANCHMSA-N 486.548 2.225 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCOc2ccc(F)cc2)CC1 1760251918 LBHHOKIFKVOENH-UHFFFAOYSA-N 463.517 2.289 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](OCC)c1ccccc1 1760295782 WILUYSSKAMHMDC-AWRGLXIESA-N 487.626 2.381 30 10 JEEE C=C(Br)Cn1c(N2C[C@H](C)O[C@H](COC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1760314492 ODGJKQABFGGNMU-TXPKVOOTSA-N 459.385 2.467 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C)C(C)(C)C1 1760322418 SGRWDAYYZPJZJN-WTGUMLROSA-N 481.663 2.465 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC)CC1 1760322721 WVDWBYNYLREKAT-UFYCRDLUSA-N 467.636 2.219 30 10 JEEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1760380692 KUODAJKGRYEYTG-FIRPJDEBSA-N 481.041 2.134 30 10 JEEE C=C1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCN2CCOC[C@@H]2C)CC1 1760389781 UAIYKRXFFNBZEC-VQTJNVASSA-N 476.622 2.464 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCCNC(=O)OC(C)(C)C)CC1 1760389849 VPFDWSOKUFKNJC-SFHVURJKSA-N 498.650 2.072 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C)N1CCOCC1 1760477678 HPVKHZOFAXTYEW-NQIIRXRSSA-N 454.575 2.151 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 1760519077 QQVCDYIGSZNSRV-UHFFFAOYSA-N 481.532 2.049 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N(C)C1CCN(CCC)CC1 1760525394 DNQRYOOXMAIHIH-UHFFFAOYSA-N 450.591 2.129 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCCC[C@H](S(C)(=O)=O)C2)cc1 1760530946 YELRXWUCVTXIQL-FQEVSTJZSA-N 475.615 2.433 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2nccc(C(F)(F)F)n2)C1 1760542936 OOYMORRVMSTKQO-ZIAGYGMSSA-N 451.453 2.062 30 10 JEEE CCNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(OC)nc2OC)CC1 1765650746 BXBMKCTYJHJMSE-UHFFFAOYSA-N 476.541 2.129 30 10 JEEE CCCNC(=O)c1cccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@](C)(C#N)C2)c1 1766200988 HCURVMHWLGSJIC-HYBUGGRVSA-N 484.626 2.498 30 10 JEEE COc1cccc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3cc(C#N)ccn3)CC2)c1OC 1768830215 DDQUDHNWPRWUPX-UHFFFAOYSA-N 490.568 2.075 30 10 JEEE C=CCNC(=O)NS(=O)(=O)c1ccc(CCNC(=O)COc2ccc(Cl)cc2)cc1 1858970294 QHKWBGHIIPBBMK-UHFFFAOYSA-N 451.932 2.252 30 10 JEEE N#Cc1cccc(NC2=C(c3ccccc3[N+](=O)[O-])C(=O)N(CCCN3CCOCC3)C2=O)c1 1863239574 DXESLYDPQJVSAV-UHFFFAOYSA-N 461.478 2.381 30 10 JEEE C=CCN(CC=C)c1nc(NC(=O)COc2ccc(C)cc2C)n([C@@H]2CCS(=O)(=O)C2)n1 1870002607 QVBQXMIEQXFXRQ-GOSISDBHSA-N 459.572 2.450 30 10 JEEE C#CCOc1cn(CCCN2CCOCC2)c(CNc2ccc(OC)c([N+](=O)[O-])c2)cc1=O 1871007304 VJMYQGJZWFKGBU-UHFFFAOYSA-N 456.499 2.112 30 10 JEEE CCCNC(=O)CSc1nnc(CCOC)n1/N=C/c1cc(Br)ccc1O 1874471933 FOXYNCMNTSDOCD-KEBDBYFISA-N 456.366 2.436 30 10 JEEE COc1ccc(N2C[C@H](c3nnc(S)n3/N=C/c3cc([N+](=O)[O-])c(O)cc3O)CC2=O)cc1 1874570973 QPNSCCXRUSLNQA-PITUFAOZSA-N 470.467 2.298 30 10 JEEE C=CCNC(=O)c1nc(C(=O)N(C)C2CN(c3ccc4nnc(-c5cccc(F)c5)n4n3)C2)cs1 1890738213 YETAMSQRXPRGJA-UHFFFAOYSA-N 492.540 2.264 30 10 JEEE CCn1cc(C(=O)N2CCC(COc3nccnc3C#N)CC2)c(=O)c2cc3c(cc21)OCO3 1892027543 ZBMAIWLREWQNIC-UHFFFAOYSA-N 461.478 2.343 30 10 JEEE CN(C(=O)OC(C)(C)C)C1(C(=O)NCCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)COC1 2180983483 CXUFAOKSOXKDNA-UHFFFAOYSA-N 460.380 2.280 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NC2CC(COC)(NC(=O)OC(C)(C)C)C2)C1 2255190761 XRNFRGSBDCHQOP-UHFFFAOYSA-N 451.564 2.482 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C[C@H](O)C1 2255706372 IEGMVVBXWJODTM-AWEZNQCLSA-N 452.382 2.101 30 10 JEEE CC(C)(C)OC(=O)N1CC([S@@](C)(=O)=NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2255710887 QWRNNXIARIYNAP-WJOKGBTCSA-N 453.370 2.171 30 10 JEEE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2256616094 ZLSACZWDFWWFJM-OLZOCXBDSA-N 452.386 2.091 30 10 JEEE CN(CCN(C)C(=O)OC(C)(C)C)C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2256626221 HHPDTQYBFKAYKP-UHFFFAOYSA-N 454.402 2.451 30 10 JEEE Cc1csc(C(=O)N2C[C@H](O)C[C@@H](NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267149868 BJYXZDWQCWXZFW-HUUCEWRRSA-N 466.409 2.456 30 10 JEEE Cc1nc(C(=O)N[C@H]2COCCN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2267172123 TYIQQAYCGLNJNG-CQSZACIVSA-N 467.397 2.116 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@@H]1CNS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2267376386 UYDBKDNLKRKOAP-MRXNPFEDSA-N 467.397 2.059 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](NS(=O)(=O)c2ccc(Cl)c(B3OC(C)(C)C(C)(C)O3)c2)CO1 2267467714 QBSLTSCQKPCBKX-ZDUSSCGKSA-N 488.799 2.468 30 10 JEEE COC(=O)[C@H](CCNC(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2267479285 JTEJNAWBXZHHFP-HNNXBMFYSA-N 468.381 2.234 30 10 JEEE Cc1c(B2OC(C)(C)C(C)(C)O2)csc1C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O 2267577859 VXQCJBNLWOUDIC-GOEBONIOSA-N 466.409 2.313 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1S(=O)(=O)NOC1CN(C(=O)OC(C)(C)C)C1 2267708935 TTWKQLAZLXTAKL-UHFFFAOYSA-N 468.381 2.123 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCN(CC(=O)NCc2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2268638432 SXDHONJHVWGFAT-OAHLLOKOSA-N 465.425 2.263 30 10 JEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H]1[C@H](NC(=O)OC(C)(C)C)[C@@H]2CCO[C@H]21 2281810220 MMIBUCSARVHRJO-OKDNKWQNSA-N 462.352 2.298 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)C(C)(C)[C@@H]2C1 2281983895 AFESKOFRVUNWPH-HUUCEWRRSA-N 460.384 2.426 30 10 JEEE Cc1c(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]2C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281984687 DSHWYTQJBAVOAI-LSDHHAIUSA-N 462.400 2.498 30 10 JEEE CC(C)(C)OC(=O)N[C@]12CCC[C@@]1(F)CN(C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C2 2281986732 VGSXVKTYGIBPHS-YADHBBJMSA-N 464.347 2.320 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)[C@H]2C1 2282042896 KGAWQIULMJDWST-YQQAZPJKSA-N 460.384 2.095 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1S(=O)(=O)N1CC[C@@](C)(NC(=O)C(F)(F)F)C1 2282500294 WUGDGDMVEXTASL-LJQANCHMSA-N 476.326 2.126 30 10 JEEE CCn1cc(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(F)(F)F)nc1B1OC(C)(C)C(C)(C)O1 2282539567 WINHYBYKGNRXRQ-CYBMUJFWSA-N 476.305 2.388 30 10 JEEE Cn1cc(C(=O)NC2[C@H]3CC[C@H]2CN(Cc2ccccc2)C3)nc1B1OC(C)(C)C(C)(C)O1 2282541581 AAJCAMYKDOHIKF-OALUTQOASA-N 450.392 2.360 30 10 JEEE CN(C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C 2282557537 WLKBVQHJRITQLR-NVXWUHKLSA-N 462.400 2.485 30 10 JEEE CC1(C[S@@](C)(=O)=NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CN(C(=O)OC(C)(C)C)C1 2282577639 HSLBOIKTRRKTEO-MGBGTMOVSA-N 482.412 2.204 30 10 JEEE CC(C)[C@H]1[C@@H](NC(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2282583428 JPJZZNQOBQKXNB-IRXDYDNUSA-N 462.400 2.483 30 10 JEEE C[C@@H](NC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1)C1CCN(C(=O)OC(C)(C)C)CC1 2282585541 MWVNSBGESIHRGY-OAHLLOKOSA-N 462.400 2.485 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](CNC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)OCC12CC2 2282609975 PFQCIMCPLOVIQM-AWEZNQCLSA-N 479.408 2.341 30 10 JEEE CC(C)(C)OC(=O)N(CCO)C1CCN(C(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)CC1 2282619292 RGHRIWMFKYFGOO-UHFFFAOYSA-N 481.424 2.276 30 10 JEEE CC(C)(C)OC(=O)N[C@]12CCC[C@H]1CN(C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)C2 2282693648 BLKLWTUXJZESLV-WNSKOXEYSA-N 458.368 2.295 30 10 JEEE CC(C)(C)OC(=O)NC[C@]1(F)C[C@H](NS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282828267 LLKUWULUBQVRMZ-WEHONNDLSA-N 485.387 2.055 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(C(=O)NCc3ncc(B4OC(C)(C)C(C)(C)O4)s3)CO[C@H]1C2 2284133447 QUWCPAUFCBVHDI-QLEMLULZSA-N 479.408 2.131 30 10 JEEE COc1cc(CNC(=O)[C@@H](CNC(=O)OC(C)(C)C)OC)ccc1B1OC(C)(C)C(C)(C)O1 2289459093 IYRHBFSXOSHIEN-GOSISDBHSA-N 464.368 2.150 30 10 JEEE CCc1nnc(SCC(=O)NCc2ccco2)n1N=Cc1cc2c(cc1[N+](=O)[O-])OCCO2 2320988776 KHDKYSFBHUNWHT-UHFFFAOYSA-N 472.483 2.404 30 10 JEEE NC(=O)CSc1nnc(COCc2ccccc2)n1N=Cc1cc2c(cc1[N+](=O)[O-])OCCO2 2329322695 ZBIDTRMJSBOFNC-UHFFFAOYSA-N 484.494 2.134 30 10 JEEE COc1[nH]c(=Nc2cnn(CCNC(=O)OC(C)(C)C)c2)ccc1B1OC(C)(C)C(C)(C)O1 2365343584 BLSNHIDFYHQLPH-UHFFFAOYSA-N 459.356 2.276 30 10 JEEE CCOCCCNC(=O)/C(C#N)=c1\s/c(=C\c2ccc(C)o2)c(=O)n1-c1ccccc1C 12565338 XNAUKBUFPXUPSS-ZJTSRVKDSA-N 451.548 2.155 30 10 JEEE C=CCNS(=O)(=O)c1ccc(NC(=S)NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 13991221 OWSNEGOVUOIFCN-UHFFFAOYSA-N 465.553 2.304 30 10 JEEE CCOC(=O)Cn1cnc(N=C2S/C(=C\C(=O)OC)C(=O)N2c2ccccc2)c1C(=O)OCC 254835643 MKRZEUVJQRKXSO-PBUMCXHLSA-N 486.506 2.447 30 10 JEEE CCN(CC)S(=O)(=O)c1ccc(C(=O)NC2CCC(Oc3nccnc3C#N)CC2)cc1 585355368 GEBOYRWJKYHAOL-UHFFFAOYSA-N 457.556 2.499 30 10 JEEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OCCOC)cc2)c(=O)n1Cc1ccccc1 609333571 MDQUGDHTJBHFIU-UHFFFAOYSA-N 477.586 2.013 30 10 JEEE C#CCN(C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S)[C@H]1CCS(=O)(=O)C1 729332717 VWEUWPFWFKEKTB-QXPQOBGOSA-N 468.647 2.378 30 10 JEEE C[C@@H](NC(=O)C1CCCC1)C(=O)[C@@H](C#N)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 916948311 FOAYBKALKPHIIU-OXQOHEQNSA-N 474.583 2.203 30 10 JEEE N#Cc1ccc(N2CC[C@H](C(=O)Nc3cccc(S(=O)(=O)N4CCOCC4)c3)C2)c(F)c1 1124419565 CZPQWWNSWKZGCU-KRWDZBQOSA-N 458.515 2.183 30 10 JEEE N#Cc1c(Br)cccc1S(=O)(=O)NC1(C(=O)N2CCOCC2)CCCCC1 1195960248 FVIYDJWKMPILBJ-UHFFFAOYSA-N 456.362 2.161 30 10 JEEE C#CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(CC(=O)N(C)C)CC1 1286314320 BJZPKPMJVQSROI-UHFFFAOYSA-N 462.396 2.049 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Cl)n1CCC1(O)CCOCC1)[C@H]1CCS(=O)(=O)C1 1286388268 ZLXSSYDZSQIRHO-KRWDZBQOSA-N 479.002 2.157 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC(C)(C)CN(C)C)[C@@H]1CCS(=O)(=O)C1 1286398121 GQSUCLHDKVFQPW-VAMGGRTRSA-N 479.691 2.411 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2CCc2nnc(C)s2)CC1 1286489154 HVRVCACIZSCRGI-UHFFFAOYSA-N 453.547 2.453 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1286555922 MJUKCSNIRPPBAJ-MLHJIOFPSA-N 491.580 2.234 30 10 JEEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1286604481 UCZOBQDZSXMMLF-MRXNPFEDSA-N 454.984 2.104 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCCN(c2nccs2)CC1 1286783045 DVGHSSZDPMYNLU-UHFFFAOYSA-N 453.572 2.429 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC(n3cc(Cl)cn3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1286792930 MEMZWFXCIJFQQH-JOCHJYFZSA-N 477.997 2.312 30 10 JEEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCn2cncn2)CCN1CC(F)(F)F 1291278953 FODOPSDBLHFOBM-INIZCTEOSA-N 475.479 2.093 30 10 JEEE CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1CC1(S(C)(=O)=O)CCCC1 1297652420 DIGVBFUYIJFKIK-QGZVFWFLSA-N 493.655 2.434 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1Cc1cccc(O)c1)[C@H]1CCS(=O)(=O)C1 1300489556 OZNQFGBHKVQBTL-KRWDZBQOSA-N 457.943 2.374 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H]2OCC[C@H]2C)CC1 1300718795 FMJHILNXZHAJFE-VGOFRKELSA-N 467.570 2.353 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2Cc2ccc(OCCOC)cc2)CC1 1300719422 AGBUCYPCUMTIHC-UHFFFAOYSA-N 462.554 2.313 30 10 JEEE C#CCSCCn1c(COc2cc(C)ccc2C)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1300770145 OHMLPMQVAKROAN-IBGZPJMESA-N 454.600 2.396 30 10 JEEE C#CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CCN(c2ncc(F)cn2)CC1 1300775822 ABVYBKIIQYIQMN-UHFFFAOYSA-N 483.573 2.488 30 10 JEEE C=C(C)COCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1300972841 QZUILKIRCQXMNI-FQEVSTJZSA-N 495.584 2.213 30 10 JEEE C=C(C)COCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(CC(=O)N(C)C)CC1 1300992382 YFYHWDUBZIUSIX-UHFFFAOYSA-N 493.612 2.479 30 10 JEEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1301458263 QENSQDSTQVSKGP-GOSISDBHSA-N 498.650 2.023 30 10 JEEE C=CCSCCn1c([C@H]2CCCO2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1301624285 UISHVLYCZXOXPQ-MRXNPFEDSA-N 484.673 2.325 30 10 JEEE CC(C)NS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1303469085 CCJLEBRBXFQVMQ-UHFFFAOYSA-N 498.588 2.005 30 10 JEEE C=CCCCCNC(=O)N1CCN(S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)CC1 1312542484 XETHNZKLOVIJOY-UHFFFAOYSA-N 456.952 2.043 30 10 JEEE CN(C)CC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(S(C)(=O)=O)CC1 1314665458 CSKJGJXPWBFABY-UHFFFAOYSA-N 474.631 2.330 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1c(F)cccc1Cl)[C@@H]1CCS(=O)(=O)C1 1358961295 VZUKQSIUZPDNFL-OAHLLOKOSA-N 462.938 2.146 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCN(CC)C1CC1)[C@H]1CCS(=O)(=O)C1 1358964748 GRHBVJSRDAMNFN-NRFANRHFSA-N 459.591 2.119 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2[nH]c(C)c(C)c2c1 1359010575 UCLLPPIGQONWPX-NRFANRHFSA-N 470.599 2.217 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@H]2CCC[C@@H](O)C2)CC1 1359042499 IUCAPIPCKOINRR-WIYYLYMNSA-N 451.571 2.471 30 10 JEEE C#CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(C(=O)OCC)CC1 1359056958 OTOZZYBFIMCPLQ-UHFFFAOYSA-N 484.630 2.097 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(Cc2csc(C)n2)n1CCCN(C)S(=O)(=O)CC 1359071826 DYRPVYCTHRHQFW-HXUWFJFHSA-N 450.634 2.298 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1359102998 IPXPCIXFYVMJRQ-YJRNTSOCSA-N 499.660 2.488 30 10 JEEE C=C(C)COCCn1c(Cc2ccccc2F)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1359134394 UQACJTSJTLATQO-UHFFFAOYSA-N 456.522 2.121 30 10 JEEE C=CCn1c(N(C)C2CCN(S(C)(=O)=O)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1359290113 IISLIILGBISQSO-IYBDPMFKSA-N 468.624 2.095 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1359292906 ASEUGZBTTHBMHQ-NRFANRHFSA-N 493.406 2.123 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC[C@H](Nc2cc(OC)cc(OC)c2)C1 1359301184 UNFSOTXCGPOLBD-ROUUACIJSA-N 470.574 2.182 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1359329577 NSGVSFLMMMKACG-HSZRJFAPSA-N 476.599 2.329 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C(F)(F)F)cc1 1507538406 MBYPGCBQDBITMT-PBHICJAKSA-N 471.505 2.136 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CCc1nc(C)c(C)s1)[C@@H]1CCS(=O)(=O)C1 1507634364 JXLCDFLBZUUSNP-LJQANCHMSA-N 470.624 2.207 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1CCc1nnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1507638482 FVCNSAKOKNAEQE-LJQANCHMSA-N 470.624 2.093 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccco1)N(CC)CC 1507669724 QMUUBGXORIZZKH-PMACEKPBSA-N 457.600 2.319 30 10 JEEE C#CCN(CC)c1nnc(-c2ccc(Br)s2)n1CCC(=O)N1CCOCC1 1507682751 VMCPBFMLOJNMNN-UHFFFAOYSA-N 452.378 2.478 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(CC)cc3)n2CC2(S(C)(=O)=O)CCC2)CC1 1507734763 XEQPCWGWEGXDDO-UHFFFAOYSA-N 483.638 2.441 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2Cc2cccc(N3CCOCC3)n2)CC1 1507739666 SXJMMSKTUBFTGR-UHFFFAOYSA-N 479.629 2.112 30 10 JEEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1507836016 UCJBFFJVNPCQLY-GOSISDBHSA-N 456.547 2.292 30 10 JEEE C=C(C)COCCn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1507840057 LRFNDBKKYXYUPC-UHFFFAOYSA-N 474.993 2.364 30 10 JEEE C=CCn1c(-c2cc(Br)cn2C)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1508049359 APQLCHSDGDEGSV-UHFFFAOYSA-N 471.425 2.482 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(F)cc2Br)nnc1N(C)CCS(=O)(=O)CC 1508072703 FOYWKHQMJUQDHW-UHFFFAOYSA-N 488.383 2.020 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@@H]2COCCO2)C1 1508114597 BSWACUSIDXVZCD-QZTJIDSGSA-N 460.531 2.168 30 10 JEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C)(c2nc(C)no2)CC1 1508160879 JBZYPDVJQDJXCU-INIZCTEOSA-N 466.633 2.349 30 10 JEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2OC)CC1 1539072877 XTAIEFAZWSTQDY-LJQANCHMSA-N 457.600 2.319 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1CCc1ccc(N(C)C)cc1)[C@H]1CCS(=O)(=O)C1 1539211469 MHGZYHNJSWHGJP-NRFANRHFSA-N 466.611 2.219 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCOC1CCCCCC1)[C@@H]1CCS(=O)(=O)C1 1539229940 AIJZSWQVHCMEFK-VWPQPMDRSA-N 494.658 2.368 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1cccnc1OC)[C@@H]1CCS(=O)(=O)C1 1539230834 LKJAFUGDUCPYMW-VAMGGRTRSA-N 487.626 2.275 30 10 JEEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1539499073 CNGDWCORBZETSY-LJQANCHMSA-N 472.640 2.291 30 10 JEEE C#CCSCCn1c(CC2CCCC2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1539524798 OISGHWQMKFMXEH-LJQANCHMSA-N 453.678 2.485 30 10 JEEE C=C(Br)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCCN(S(C)(=O)=O)CC1 1539587464 DAQZYSWUBYAOOO-UHFFFAOYSA-N 484.376 2.054 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1539706649 NMXHFVVTEWLRDX-QZTJIDSGSA-N 498.650 2.023 30 10 JEEE C=C(C)COCCn1c(Cc2ccc(F)cc2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1539750272 IYMYBVOINJUJNQ-NRFANRHFSA-N 470.549 2.367 30 10 JEEE C=CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1540854182 NGOQOSUIPKJPHF-QGZVFWFLSA-N 459.620 2.474 30 10 JEEE C=CCOc1ccc(Cn2c(COCC)nnc2N2C[C@@H](N3CCN(C(C)=O)CC3)[C@H](C)C2)cc1 1540878766 HURXQHBOTJCMOQ-HYBUGGRVSA-N 482.629 2.417 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC(COc2ccccc2)CC1 1540897760 RNRKGXNDBKZWOO-UHFFFAOYSA-N 487.626 2.410 30 10 JEEE CC(=O)NC1CCC(N(C)c2nnc(-c3ccc(C#N)cc3)n2CCCc2cnn(C)n2)CC1 1541022352 BDLYGVOZVTYNJJ-UHFFFAOYSA-N 461.574 2.462 30 10 JEEE CC(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2c(C#N)cnc3ccccc23)CC1 1541546871 HYNRVYZNWDAHAN-QGZVFWFLSA-N 482.614 2.291 30 10 JEEE CO[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2C[C@@H](C)O[C@H](C)C2)C1 1555784514 DJQMKAVGIKZUGQ-KNKQGSTJSA-N 454.575 2.453 30 10 JEEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2C[C@@H](CO)[C@H](CO)C2)c1 1557661144 JDVYXGVGGLDVFT-IRXDYDNUSA-N 464.971 2.394 30 10 JEEE CC(=O)N1CCC(C)(C)c2cc(S(=O)(=O)N3CCN(c4ccc(C#N)nc4)CC3)ccc21 1561893132 JMUMJWGIFVSGGL-UHFFFAOYSA-N 453.568 2.498 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(NC(=O)NC(C)C)cc1 1587639730 MSUTXGRHBBLFHW-FUHWJXTLSA-N 458.588 2.216 30 10 JEEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1587718482 HGXNEYDOZNWOAU-HXUWFJFHSA-N 499.641 2.039 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Cl)n1C[C@@H]1CCCN1CCCO)[C@H]1CCS(=O)(=O)C1 1588045565 MSKCRQWQTHFEHE-OALUTQOASA-N 492.045 2.072 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1CCCOc1ccccc1)[C@H]1CCS(=O)(=O)C1 1588050908 XQNUYYHVIRXGLE-FQEVSTJZSA-N 451.552 2.436 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H](c1cccs1)N(C)C)[C@H]1CCS(=O)(=O)C1 1588074197 KTFDJFOUFUZEJY-OKZBNKHCSA-N 463.629 2.121 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)c2ccc(OC)cc2)CC1 1588722363 ALQBFUUYZHTINX-UHFFFAOYSA-N 450.587 2.256 30 10 JEEE C#CCSCCn1c(N2CCC[C@@H](n3nc(C)nc3C)C2)nnc1[C@@]1(OCC)CCOC1 1589125216 HJTLVWPRDAMNFG-DENIHFKCSA-N 459.620 2.346 30 10 JEEE C=C(C)CN(CC)c1nnc(CN2CCCC2=O)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1589675764 HKLWHKXNFDTIPX-IBGZPJMESA-N 453.591 2.471 30 10 JEEE C=C(C)Cn1c(N2CCN(CC(=O)N3CCCC[C@H]3C)CC2)nnc1[C@]1(OCC)CCOC1 1593684304 UPZIEHHLXQGCGL-YKSBVNFPSA-N 460.623 2.029 30 10 JEEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(N2CCOCC2)nc1 1594962615 MVBCNVRQBVONGZ-FQEVSTJZSA-N 499.616 2.489 30 10 JEEE C=CCN(CC=C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1ccc(C(N)=O)nc1 1595179167 ZXPDRQOHVPQBDH-UHFFFAOYSA-N 480.598 2.267 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 1595758688 BUTKEUQUCMGWBS-DOTOQJQBSA-N 464.588 2.463 30 10 JEEE CN(CCCn1c(-c2cnccn2)nnc1N1CCN(c2cc(C#N)ccn2)CC1)CC(F)(F)F 1618232760 AQMWTERLHDJMFH-UHFFFAOYSA-N 486.506 2.213 30 10 JEEE C#CCN(C(=O)c1cc(Br)c(O)c(Br)c1)[C@@H]1CCS(=O)(=O)C1 1626435245 VAZJTIIKTVPCRR-SNVBAGLBSA-N 451.136 2.180 30 10 JEEE COC(=O)c1sc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)nc1C(C)(C)C 1630805861 FOODVYHXVYKKHG-NSHDSACASA-N 450.542 2.404 30 10 JEEE CC(C)(C)OC(=O)CCN(C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C1CCOCC1 1640025597 DSHIXDRZYWPPKC-UHFFFAOYSA-N 450.557 2.212 30 10 JEEE Cc1cc(Br)ccc1CS(=O)(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 1662840923 DKQJQLUJRNLCBR-AWEZNQCLSA-N 450.362 2.460 30 10 JEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cc(F)cc(F)c2)CC1 1689877337 WRLSVLJRZFAYJQ-INIZCTEOSA-N 466.558 2.297 30 10 JEEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(CC(=O)N(C)C)CC1 1689925838 CHBAJZOGVHNYFH-UHFFFAOYSA-N 461.570 2.300 30 10 JEEE C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@H]1CCCCC1(F)F)[C@@H]1CCS(=O)(=O)C1 1689979791 HGYFLNSAXRFZFX-RCCFBDPRSA-N 474.574 2.454 30 10 JEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H](C)COC)[C@@H]1CCS(=O)(=O)C1 1689992828 PGPRXTSJOMXZPF-VQIMIIECSA-N 450.992 2.432 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1CCS(=O)(=O)CC1 1690056395 QWBHCWKJZGGBRO-BGYRXZFFSA-N 489.642 2.337 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H]1CCOC[C@H]1OC 1690099627 FXBOHXSTYLCDPS-DENIHFKCSA-N 450.543 2.268 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(N(C)C)cc2C)CC1 1690110202 CBWMKFWPESSHOY-UHFFFAOYSA-N 458.570 2.103 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2CC2(C(=O)N(C)C)CCCC2)CC1 1690114610 AILFMVPXFWEFRI-UHFFFAOYSA-N 450.587 2.358 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](C)Oc2ccc(OC)cc2)CC1 1690141970 GBBOXDZYTJHTGU-SFHVURJKSA-N 477.569 2.121 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCCN2CCOC2=O)CC1 1690148545 KNMFWNOUEUKVQB-UHFFFAOYSA-N 484.988 2.330 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccccc2F)CC1 1690153829 CLWCFKBWATUHOR-FPOVZHCZSA-N 455.534 2.155 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(C)(C)N1CCOCC1 1690196307 GQMSGSSQBICMOQ-XMMPIXPASA-N 471.627 2.452 30 10 JEEE C=C(Cl)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)CCCNC(=O)C1CCC1 1690337266 JNUYMBIAGZHDRF-UHFFFAOYSA-N 455.954 2.416 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CCCCS1(=O)=O 1690603794 IHBZLVILCROPEZ-VQTJNVASSA-N 457.600 2.432 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1690664571 XTLWWJQIAKJQFR-LJQANCHMSA-N 452.603 2.499 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 1690726756 KKLMKMBGZUNZPV-UHFFFAOYSA-N 497.581 2.100 30 10 JEEE C=CCSCCn1c([C@H]2CCCCO2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1690744232 KKDVCNAQDUGOLZ-GOSISDBHSA-N 457.604 2.259 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Sc1ccccc1 1691003059 BLVIHNQZODZJMN-ZHALLVOQSA-N 478.644 2.388 30 10 JEEE CCCCn1cc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3cc(C#N)ccn3)CC2)c(C)n1 1695235339 FOZPVFTYIOWVNY-UHFFFAOYSA-N 490.616 2.363 30 10 JEEE C#CCCCCn1c(N2CCN(c3ncc(F)cn3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1705521415 BFVMMVUCDICNPC-QHCPKHFHSA-N 457.554 2.378 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1CCCN1CC)[C@H]1CCS(=O)(=O)C1 1705569993 JDVIZOYDNVOXQL-SFTDATJTSA-N 459.591 2.119 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@H]1CCCS(=O)(=O)C1 1705598017 YKTCULRWRZEEQA-WIYYLYMNSA-N 454.552 2.078 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1ccc(N(C)C)nc1 1705626972 PKZNJHLMJHIDSV-UHFFFAOYSA-N 486.580 2.270 30 10 JEEE C#CCN1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CCOC(C)(C)C)CC1 1705634806 JQKVBYYNMKBSMW-UHFFFAOYSA-N 473.647 2.117 30 10 JEEE C#CCSCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CC[C@](F)(C#N)C1 1705663448 IJWUZWBYOQXXTJ-DEOSSOPVSA-N 467.618 2.451 30 10 JEEE C=C(Br)Cn1c(CC2CC2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1705689990 GXOHIVNWSHBJQX-UHFFFAOYSA-N 487.449 2.415 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@](C)(N2CCOCC2)C1 1705693172 CMCZYEYILHDHAR-OWHZGTRUSA-N 474.650 2.479 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ccsc2)CC1 1705781978 LSBZBCSWOJRUKO-SFHVURJKSA-N 451.618 2.318 30 10 JEEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1705828625 UCSCXHHIAYJDMW-UHFFFAOYSA-N 483.598 2.147 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc(Cc2cccnc2)n1C[C@]1(O)CCS(=O)(=O)C1 1705878013 HOAWMJOIGUHYJS-XMMPIXPASA-N 467.595 2.049 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCNC(=O)[C@@H]2CC)cc1 1705910179 UKZUCPJUOUCOHH-IBGZPJMESA-N 461.526 2.253 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1705937044 GUABRGGWNCHUGT-LJQANCHMSA-N 458.632 2.175 30 10 JEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1705946803 RHMGDEKYZYICAX-QGZVFWFLSA-N 488.701 2.037 30 10 JEEE Cc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H](C(C)C)N2CCOCC2)cc1 1707550641 DEQWZXUBZFXRKY-VXKWHMMOSA-N 454.575 2.251 30 10 JEEE CC[C@@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1708618001 HWJRADCRFPHBEL-MOPGFXCFSA-N 498.595 2.498 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC(=O)N1CCOCC1 1722295627 UZSYXJXXNDAHHU-RBUKOAKNSA-N 474.606 2.099 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1CCN(C(=O)OC(C)(C)C)C1CC1 1722387401 LCPDYKJUFFIUGC-ICSRJNTNSA-N 457.575 2.474 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccnc(OC(F)F)c2)CC1 1722583302 RVKROYGNGYOVEO-QGZVFWFLSA-N 498.556 2.058 30 10 JEEE C=CCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1722625462 RHFTZFVTJJUKAQ-OAQYLSRUSA-N 470.599 2.414 30 10 JEEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1722696807 FHKBINLMWILMAL-KRWDZBQOSA-N 495.584 2.459 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1722706680 XOKQOELYHGQAKT-LJQANCHMSA-N 480.548 2.194 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(C(N)=O)cc2)C1 1722720106 GUYMERNICABQBA-SFHVURJKSA-N 466.567 2.198 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC(OC[C@@H]2CCCCO2)CC1 1722725613 PBFNPXIJCLPFKQ-FQEVSTJZSA-N 475.615 2.495 30 10 JEEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CCN2[C@@H](C)CC[C@@H]2C)CC1 1722737054 RFGAKLSWKNCPAV-SFTDATJTSA-N 475.707 2.428 30 10 JEEE Cc1n[nH]cc1CCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)C[C@H](C)C#N 1724092096 BCVXZFPNLTWGRW-MRXNPFEDSA-N 470.603 2.456 30 10 JEEE Cn1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@H](C(=O)NCC(F)(F)F)C2)cn1 1729576058 GZQDEPFMAAEMEQ-KRWDZBQOSA-N 458.448 2.103 30 10 JEEE C#CCCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1740565842 JGRQIZVIUQZKDS-UHFFFAOYSA-N 493.568 2.361 30 10 JEEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1CCCC(C)C)[C@@H]1CCS(=O)(=O)C1 1740625401 QHQDSHJFAXHMSI-QGZVFWFLSA-N 463.629 2.333 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC(C)(C)N1CCOCC1 1740631258 RYAUIKJMMRNGOT-UHFFFAOYSA-N 467.570 2.155 30 10 JEEE C#CCN(CC#CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1snnc1C 1740657880 AOFWMMXMOBNMKS-UHFFFAOYSA-N 474.638 2.314 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@]2(O)CCO[C@H]2C)CC1 1740702588 SSMOEYXSTVSBLZ-DPOKWSEZSA-N 485.560 2.063 30 10 JEEE C=CCCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1740868602 OEYMAINIWKKNCI-MOPGFXCFSA-N 452.559 2.148 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(F)c(F)c1 1740932007 DXNFAMGZNZPYEB-LJQANCHMSA-N 467.542 2.310 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CCN(c2ncccn2)CC1 1740954195 FSHVRLQENZXTPN-UHFFFAOYSA-N 483.374 2.126 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 1740955118 MJAIDHLUUHYTBS-LJQANCHMSA-N 450.543 2.141 30 10 JEEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCC(CC(=O)N(C)C)CC1 1740963588 PIEQVQHUJJEQTF-UHFFFAOYSA-N 454.575 2.162 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@]2(C)COCCO2)C1 1740970419 KVWWEHOQMGZDKJ-WMZHIEFXSA-N 475.977 2.448 30 10 JEEE CC(=O)Nc1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)cn1 1741062643 BXVPWKIJQVGQFY-HOTGVXAUSA-N 481.582 2.476 30 10 JEEE CCN(CC)[C@@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1746061082 BGQADSYHFDQRSX-FQEVSTJZSA-N 466.634 2.194 30 10 JEEE CCNC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CC2(C)C)CC1 1746516780 FRASFUZYOBEHMY-LJQANCHMSA-N 451.575 2.033 30 10 JEEE CO[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1)C(C)C 1748418185 AXPRJJLGMBYOFO-JOCHJYFZSA-N 465.602 2.232 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C(C)(F)F)c1 1748672076 QCIOHHWERZJVBU-MAUKXSAKSA-N 467.542 2.229 30 10 JEEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1748764811 WTIMOPPSWLMVRP-RTBURBONSA-N 451.637 2.470 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@]1(C)OCCc2sccc21 1748892447 OYWZRTCUISUHDT-JTSKRJEESA-N 458.609 2.193 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@@H]2CCCCN2CCCC)CC1 1749009249 NOXNEVPSSKDEIT-NRFANRHFSA-N 464.618 2.356 30 10 JEEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1749039849 DAQJINDEMIPSOQ-UHFFFAOYSA-N 468.612 2.337 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1([S@](C)=O)CCC1 1749056348 FIUAJNOGEUMAPK-KCEHZKJRSA-N 489.667 2.489 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H](OC)C1 1749122250 UNCYFCKZLBTURM-IRFCIJBXSA-N 475.615 2.402 30 10 JEEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C1CCN(C(=O)c2ccccc2)CC1 1749170216 HRJWLKSCXCZETN-KRWDZBQOSA-N 460.604 2.205 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(OC)CCOC1 1749584039 DMPSUPUKSWJBFI-OFNKIYASSA-N 460.600 2.221 30 10 JEEE C=CCNC(=O)Cn1c(N(C)Cc2cscn2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1749682584 VWUNTTRGOGMQGY-GASCZTMLSA-N 461.592 2.444 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H]1CCCN1CC)[C@H]1CCS(=O)(=O)C1 1760183566 RJVWABLEYKPHEV-VXKWHMMOSA-N 498.653 2.258 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1CC[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1760184931 ZJVPWZUIINGMQU-IEBWSBKVSA-N 474.583 2.016 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCc1ccc(NC(C)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1760189941 SDTWYYYTXWYDDC-HXUWFJFHSA-N 466.567 2.101 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCNc1ccc(C(F)(F)F)cn1 1760206197 TUNAQVHUFIJOCJ-MRXNPFEDSA-N 480.516 2.169 30 10 JEEE C#CCN(CC#CC)c1nnc(Cc2csc(C)n2)n1CC1CCN(CCN(C)C)CC1 1760221415 VFBUTANWJICMFB-UHFFFAOYSA-N 453.660 2.370 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H]2CN(CC(C)C)CCO2)CC1 1760255485 BVDADYKHGMCMML-QFIPXVFZSA-N 482.629 2.074 30 10 JEEE C=C(C)COCCn1c([C@H]2CCCO2)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1760360555 GBCPAQMBOZQKBT-OAQYLSRUSA-N 475.615 2.374 30 10 JEEE C=CCCCn1c(-c2noc3c2COCC3)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1760437920 SRMVNEAUVWEQJD-DLBZAZTESA-N 458.563 2.340 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N1CCN(CC)[C@H](C)C1 1760550704 GPFWRJCHPBDROL-OAHLLOKOSA-N 485.452 2.177 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1760556766 PHVZYORTCPCGPG-UHFFFAOYSA-N 491.621 2.371 30 10 JEEE CCN(CCCn1c(-c2cccnc2)nnc1N1CCN(c2ccccc2C#N)CC1)S(C)(=O)=O 1766867346 FCKHEFSFRYQGMB-UHFFFAOYSA-N 494.625 2.210 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1772523019 LAKACJQFFRQHTA-XMMPIXPASA-N 477.956 2.249 30 10 JEEE COc1ccc([C@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2CCNC(C)=O)cc1O 1862642324 KOWOCTLUFWBSNX-FQEVSTJZSA-N 458.442 2.263 30 10 JEEE C=CCOc1ccccc1[C@@H]1C(C(=O)N2CC(O)C2)=C(N)Oc2c1c(CC)nn2-c1ccccn1 1865224680 JFHXCWDLWHPECF-NRFANRHFSA-N 473.533 2.292 30 10 JEEE CCN(CC)CCNC(=O)c1ccc(-n2nnc(C#N)c2NC(=O)c2ccccc2OC)cc1 1870152171 DTJBTTLFOAHSTH-UHFFFAOYSA-N 461.526 2.471 30 10 JEEE C=CCn1cc(OCC(=O)Nc2ccc(C(C)(C)C)cc2)c(=O)cc1CN(CCO)CCO 1870597540 VWNKAWPVNFQMBK-UHFFFAOYSA-N 457.571 2.136 30 10 JEEE C=CCn1cc(OCC(=O)NCCc2ccc(OC)cc2)c(=O)cc1CN1C[C@@H](C)O[C@H](C)C1 1870643686 XDDJPOXWWNCGQX-WOJBJXKFSA-N 469.582 2.390 30 10 JEEE C=CCn1cc(OCC(=O)OCCOCC)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870670992 LRBSXGWXZSNKMJ-UHFFFAOYSA-N 485.581 2.324 30 10 JEEE C=CCN=c1nc(Nc2ccc(I)cc2)[nH]c(N2CCC(CO)CC2)n1 1871704321 MOLXMTCXXYIWFI-UHFFFAOYSA-N 466.327 2.448 30 10 JEEE C=CCn1c(C(=O)NCCc2ccc(OC)c(OC)c2)cc2c(N(CC)CCO)ncnc21 1873591489 MTLGGZYIGARNTI-UHFFFAOYSA-N 453.543 2.426 30 10 JEEE COc1ccc(Cc2nnc(SCC(N)=O)n2/N=C/c2ccc(N(C)C)cc2)cc1OC 1874237838 IQDZIAIJZVEECT-ZMOGYAJESA-N 454.556 2.412 30 10 JEEE CCN1CCN(CC#CCOC2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)CC1 1889579686 UBOWJDNZIXYHIP-UHFFFAOYSA-N 490.489 2.321 30 10 JEEE C=C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1nn(C)c(Cl)c1I 1986051160 VIOFSEASNOIZRX-QMMMGPOBSA-N 454.696 2.374 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](CO)C1 2060135711 PXUAJDROLLXAMS-BRWVUGGUSA-N 454.568 2.308 30 10 JEEE CC(C)(C)OC(=O)N[C@@]1(C(=O)N2CCC(=CB3OC(C)(C)C(C)(C)O3)CC2)CCS(=O)(=O)C1 2180989929 BFTOATLYPCRFJQ-QFIPXVFZSA-N 484.424 2.249 30 10 JEEE Cc1sc(C(=O)NC[C@@H](CO)NC(=O)OC(C)(C)C)c(C)c1B1OC(C)(C)C(C)(C)O1 2255601778 JCDOYIPOYFSYRK-AWEZNQCLSA-N 454.398 2.280 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1NS(=O)(=O)c1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2255951220 AXYPVMPMYWUAKF-CVEARBPZSA-N 456.345 2.069 30 10 JEEE CN(C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCN(C(=O)OCc2ccccc2)C1 2256063428 VOMAVPBTECLGJD-GOSISDBHSA-N 466.347 2.259 30 10 JEEE CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)s1 2256621590 WVCWNTSVVOYDBP-HNNXBMFYSA-N 453.414 2.118 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CC(NC(=O)C2(C#N)CCOCC2)C1 2259378788 VRDXMKCLEQERFS-UHFFFAOYSA-N 452.552 2.279 30 10 JEEE CN(C[C@@H](O)CNC(=O)OC(C)(C)C)C(=O)c1c(F)cccc1B1OC(C)(C)C(C)(C)O1 2266986324 IMNCPSAMKQXAHL-AWEZNQCLSA-N 452.332 2.083 30 10 JEEE C=C(CS(=O)(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)[C@@]2(CCOC2)C1)B1OC(C)(C)C(C)(C)O1 2267469525 WZKMYWRXQNXNQA-KKSFZXQISA-N 472.413 2.262 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)C2(B3OC(C)(C)C(C)(C)O3)CCC2)[C@@H](S(C)(=O)=O)C1 2267505687 MCPQFNMBAJDJGR-GJZGRUSLSA-N 472.413 2.152 30 10 JEEE C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CN1S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2267702653 JTICDRYCXRHUQQ-HOCLYGCPSA-N 467.397 2.057 30 10 JEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](CNc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)[C@H]1OC 2279465335 KVQQKIDBQOWADL-YQVWRLOYSA-N 463.384 2.442 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1CO 2281969483 MFCFVPNLXVOZOX-LSDHHAIUSA-N 481.424 2.098 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2[C@@H](C1)OCCN2Cc1ccccc1 2281980282 JCEUMHBKWRPRNT-RBUKOAKNSA-N 469.416 2.476 30 10 JEEE Cn1nc(C(=O)N2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)cc1B1OC(C)(C)C(C)(C)O1 2281981436 NQVKQBXPRLEFMT-HZPDHXFCSA-N 460.384 2.048 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CN(C(=O)c2occc2B2OC(C)(C)C(C)(C)O2)[C@@]2(CCOC2)C1 2282034849 NNAXJQGVTDIGJX-CMJOXMDJSA-N 462.352 2.477 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC(C)(C)C2)n1 2282042571 DBIAGMKGHFPZHB-OAHLLOKOSA-N 462.400 2.485 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2CN(C(=O)C3CC(B4OC(C)(C)C(C)(C)O4)C3)CCN2C1=O 2282061865 QFABEZCIYCAQSX-BACDZXNISA-N 463.384 2.195 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)[C@]2(CCOC2)C1 2282204412 JKFFQGNEVMGPAS-NPMXOYFQSA-N 462.352 2.477 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1[C@@H]2CN(S(=O)(=O)Cc3cccc(B4OC(C)(C)C(C)(C)O4)c3)C[C@@H]21 2282503848 GTJJEDRXXOUQQM-BWTSREIZSA-N 478.420 2.271 30 10 JEEE Cn1ncc(C(=O)N2C[C@@H](NC(=O)OC(C)(C)C)CC(F)(F)C2)c1B1OC(C)(C)C(C)(C)O1 2282559087 NFLSLKAARVRVDE-ZDUSSCGKSA-N 470.326 2.094 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC1(F)CC(NC(=O)OC(C)(C)C)C1 2282582141 RZAPOSPSJIWHPC-UHFFFAOYSA-N 466.363 2.153 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 2282582416 WGSGXOIDRRAVEO-INIZCTEOSA-N 462.400 2.405 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C[C@H]1CC(F)F 2282588362 GBIAUABYFXCJLL-CYBMUJFWSA-N 470.326 2.426 30 10 JEEE C[C@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)C[C@@H](C)[C@@H]1NC(=O)OC(C)(C)C 2282618953 PCGNUTMADUYDHH-HWWDLCQESA-N 462.400 2.341 30 10 JEEE CC(C)(C)OC(=O)N1[C@H](CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)C[C@@H]2COC[C@H]21 2282630647 LLYFGCMBLDFUSR-OWCLPIDISA-N 462.352 2.333 30 10 JEEE CC1(C)OB(c2cccc(S(=O)(=O)N3CCN(Cc4ccccc4)[C@H](C#N)C3)c2)OC1(C)C 2282865709 XQNURGWMJPKBCJ-OAQYLSRUSA-N 467.400 2.384 30 10 JEEE C[C@@H]1CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2O)CC[C@@H]1NC(=O)C(F)(F)F 2282882557 NNIONIQOANMPNL-DOMZBBRYSA-N 456.270 2.221 30 10 JEEE CO[C@]1(C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)CCCN(C(=O)OC(C)(C)C)C1 2284058911 PKLUXUMUAYVNOQ-JOCHJYFZSA-N 481.424 2.475 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1)[C@H](O)C(F)(F)F 2284059272 FRVAMHJOIROCEB-KGLIPLIRSA-N 475.273 2.136 30 10 JEEE COC(=O)CSc1nnc([C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)n1N=Cc1ccc(O)c(O)c1 2325881687 OYPQAIPIPWXIRJ-OAHLLOKOSA-N 497.533 2.366 30 10 JEEE COc1cc(C=Nn2c(CCOc3ccccc3)nnc2SCC(N)=O)cc(OC)c1OC 2329175789 SRAODUHRJXRAKX-UHFFFAOYSA-N 471.539 2.385 30 10 JEEE Cn1nc(C(=O)N[C@@H]2[C@@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2334270124 FNURMQURGUHVEJ-YRGRVCCFSA-N 466.775 2.110 30 10 JEEE CON(CCNC(=O)OC(C)(C)C)C(=O)c1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1O 2339403322 QOUJRROGDNXTKD-UHFFFAOYSA-N 454.304 2.359 30 10 JEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CC(=O)N2CC[C@H](B3OC(C)(C)C(C)(C)O3)C2)C1 2342541757 SOQJAMLEOCVZPA-JKSUJKDBSA-N 472.413 2.105 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCCN(C(=O)OC(C)(C)C)C[C@H]2C)n1C 2362493788 SMMUTYXWCGEMAI-OAHLLOKOSA-N 462.400 2.499 30 10 JEEE CC(C)(C#C[C@H](NN)c1ccc(Br)cc1I)S(C)(=O)=O 2365186051 MYIGZCCMKLHFFM-LBPRGKRZSA-N 471.158 2.385 30 10 JEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CC(=O)N2CC[C@](C)(B3OC(C)(C)C(C)(C)O3)C2)C1 2368348748 KSVSGIHHFCJMNT-ZHRRBRCNSA-N 486.440 2.495 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(C)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2F)n1 2369670640 URIQHNNPWKZJFK-JKSUJKDBSA-N 466.363 2.232 30 10 JEEE CCOc1ccccc1NC(=O)CSc1nnc(N/N=C/c2ccc(OC)c(O)c2)n1N 21316698 ITKZVYNLLYSBEL-SSDVNMTOSA-N 457.516 2.282 30 10 JEEE CCOC(=O)C1CCN(c2c(/C=C3\SC(=S)N(C)C3=O)c(C)c(C#N)c(=O)n2C)CC1 33447378 WIANMGVTVFRXRP-YBEGLDIGSA-N 460.581 2.176 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(C(=O)Cc4c[nH]c5ccccc45)CC3)cc2C1=O 503026692 GOJMVYIIXMZQMM-UHFFFAOYSA-N 456.502 2.477 30 10 JEEE CC(C)c1ccc(CCNC(=O)CN2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 510300484 ZSCXOKYHAZXFTK-UHFFFAOYSA-N 454.596 2.347 30 10 JEEE COc1ccc(/C=C/C(=O)[C@@H]2CNCC[C@@H]2NC(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)cc1OC 585830842 HCPOYSPACCFXLU-OLDJYMFRSA-N 491.544 2.065 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)[C@@H](C)[S@](=O)CC(=O)Nc3ccc([N+](=O)[O-])cc3)cc21 586274065 JPWPZMPEHOIFCF-LHRCYKKBSA-N 471.491 2.465 30 10 JEEE C[C@@H]1CCc2c(sc(NC(=O)C[S@@](=O)CC(=O)Nc3ccccc3C(N)=O)c2C#N)C1 586341556 BSLAKCZBJCJFSM-VEWZGRNOSA-N 458.565 2.169 30 10 JEEE CCOc1ccc(C=NNc2nnc(SCC(=O)Nc3ccccc3[N+](=O)[O-])n2N)cc1 1083978073 RUQPTGQEWNTMQY-UHFFFAOYSA-N 456.488 2.476 30 10 JEEE COc1cccc([C@H](CNC(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)N2CCCC2)c1 1223536392 FMKBZNGFJOIHOE-QFIPXVFZSA-N 451.575 2.278 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1CNC(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2OC)CC1 1246895762 AZUMPBDIEJSLGH-HNAYVOBHSA-N 457.980 2.346 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccc(N2CCCC2)nc1)[C@H]1CCS(=O)(=O)C1 1286386276 XVSDSCRFPDNVNE-IBGZPJMESA-N 456.616 2.246 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1CCCCn1cc(Br)cn1)[C@@H]1CCS(=O)(=O)C1 1286392177 LCPBFVHWOYODBL-GOSISDBHSA-N 495.447 2.297 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1CC(=O)NC1CCCCC1)[C@H]1CCS(=O)(=O)C1 1286395338 ZXMDDTKNDZXWAU-IBGZPJMESA-N 475.640 2.006 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2noc3c2COCC3)n1CCS(=O)(=O)CC=C 1286455262 CLNDTOKBLGTCTD-UHFFFAOYSA-N 485.541 2.386 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCN2CCCCC2=O)CC1 1286473076 HNIZSCHJSZETHL-UHFFFAOYSA-N 474.407 2.194 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2ccc(NC(N)=O)cc2)CC1 1286492206 DRDBTTIQDRRXLW-FQEVSTJZSA-N 465.558 2.024 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1ccc(CC)cc1)N(C)C 1286726290 DDFLPBXTELONTF-RTWAWAEBSA-N 476.647 2.099 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNC(=O)C(C)C 1286741790 KAYWEHTVDJFZIX-HXUWFJFHSA-N 470.599 2.017 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCN2C(=O)OC[C@H]2C1 1286779554 JIXBHQPLACUCHM-GOEBONIOSA-N 460.922 2.015 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2CC(=O)NCCC)C1 1286806694 ZUEJUSXHIDDOCQ-OAHLLOKOSA-N 451.369 2.354 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCN(c2ccccn2)CC1 1286816458 LJDKPBJLDVAUMM-UHFFFAOYSA-N 468.583 2.276 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1286821051 ZEZDLJVJCWQJGQ-UHFFFAOYSA-N 473.599 2.205 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC([C@H]2CC2(F)F)CC1 1286825082 LKXZJJJEOYZFRX-KSZLIROESA-N 474.574 2.475 30 10 JEEE CC#CCNC(=O)c1cc(S(=O)(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)ccc1C 1295808599 IKQBBQXRAYGWGK-UHFFFAOYSA-N 452.536 2.347 30 10 JEEE C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccc(NC(=O)C[C@@H]2SC(N3CCCC3)=NC2=O)cc1 1299675358 OXXHRYDURUYVSL-WDSOQIARSA-N 456.568 2.430 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1300564038 RMKYKZMJPDXYEI-JOCHJYFZSA-N 477.569 2.259 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(SC)cc1 1300577811 CDLQLHQCYVKZES-OAQYLSRUSA-N 487.651 2.039 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@]2(OCC)CCOC2)n1CC1(O)CCOCC1 1300643635 UACGOXQNQYJPIJ-XMMPIXPASA-N 458.534 2.251 30 10 JEEE C#CCN(CCOC)c1nnc(CC(C)(C)C)n1CC(=O)N1CCN(c2ccccc2)CC1 1300672055 UNRJNIMDAGHHFG-UHFFFAOYSA-N 452.603 2.302 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@](C)(O)CCC 1300672329 YVTCVSROVIONHB-JPYJTQIMSA-N 465.595 2.224 30 10 JEEE C=C(Br)Cn1c(N2C[C@H](C)[C@@H](N3CCN(C(C)=O)CC3)C2)nnc1C(C)(C)C 1300861466 IYNLXRAAIFWCTO-YOEHRIQHSA-N 453.429 2.473 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2cn3ccccc3n2)nnc1N(C)CCS(=O)(=O)CC 1300891337 KFAPUILJXYRDDC-GCJKJVERSA-N 472.615 2.369 30 10 JEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(n2cc(Cl)cn2)CC1 1301257614 BXFLJVZYDLIRCU-MRXNPFEDSA-N 469.011 2.464 30 10 JEEE C=CCCOCCn1c(COc2ccc(F)cc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1301259806 RIKHIZDOUFEYDS-UHFFFAOYSA-N 454.506 2.245 30 10 JEEE C=CCNC(=O)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CC[C@@H](C)[C@@H](C)C1 1301510085 SQUVLAGCFYSXKS-YADHBBJMSA-N 465.646 2.427 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1301514684 LLNFDSLPSOMMAB-LJQANCHMSA-N 452.559 2.059 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN2CCCC[C@@H]2C1 1301576298 CKIFNEXQVLKEMO-LJQANCHMSA-N 475.615 2.238 30 10 JEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc([S@@](C)=O)cc1 1301612281 KWRBZSGQBYSBEE-CQGGRAHPSA-N 468.670 2.473 30 10 JEEE C=CCn1c(COc2ccccc2)nnc1S[C@H](C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 1307312459 QODIVYYVVZLCIG-HZPDHXFCSA-N 450.586 2.169 30 10 JEEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)NC[C@@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 1312405895 YKRBGXPIUFHLAX-LEWJYISDSA-N 452.555 2.459 30 10 JEEE COc1cc(OC)c(CCn2c(-c3cnccn3)nnc2N2CC[C@@](F)(C#N)C2)c(OC)c1 1315338894 AQNLJYUMMVCSLF-JOCHJYFZSA-N 453.478 2.446 30 10 JEEE CS(=O)(=O)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCS2)CC1 1316352475 GIGPWDOKTDZHBH-IBGZPJMESA-N 476.628 2.096 30 10 JEEE C#CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@](C)(C(N)=O)C1 1358913804 YSOMBWKOKCKBCY-GAJHUEQPSA-N 460.579 2.092 30 10 JEEE C#CCCCCn1c(N2C[C@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)nnc1[C@@]1(OCC)CCOC1 1358917372 OYLKDZFJDVTHIW-POGFHVCPSA-N 486.661 2.113 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(CC)CC1)[C@H]1CCS(=O)(=O)C1 1358956500 GSVQBHZNXOHGLT-AVRDEDQJSA-N 450.605 2.136 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1C[C@H](C)CN1CCOCC1)[C@H]1CCS(=O)(=O)C1 1358958231 JWBHSNWOOBGFGN-NQIIRXRSSA-N 492.045 2.194 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ccc(OC(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 1358960567 HHOYLVMHYULCOG-MRXNPFEDSA-N 474.493 2.012 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCOC1CCCCC1)[C@H]1CCS(=O)(=O)C1 1358963572 KIURJJUDESATSJ-MOPGFXCFSA-N 450.605 2.148 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CC1(N(C)C)CCC1)[C@@H]1CCS(=O)(=O)C1 1358967366 JBMMMEYDZBJFNT-LJQANCHMSA-N 475.590 2.107 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(C)o3)n2Cc2ccc(OCCO)c(OC)c2)CC1 1359032525 RDRANDYXKWKCAO-UHFFFAOYSA-N 451.527 2.030 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCCOC(F)(F)F)CC1 1359041598 BXVWKNSFFXJYRV-OAQYLSRUSA-N 487.523 2.211 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCc2n[nH]c(C)n2)CC1 1359047945 ZHVNCOKRLVWIDS-UHFFFAOYSA-N 482.976 2.146 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(Cl)cc1 1359070602 PZJFWVOGARHBLP-SIKLNZKXSA-N 478.018 2.499 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCC(=O)N(C)C 1359071645 XYTNVLHQYYEQMV-MHECFPHRSA-N 474.606 2.447 30 10 JEEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C2CCOCC2)C1 1359076587 GLVVECYXZDWBIE-UKRRQHHQSA-N 462.414 2.050 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C)C(=O)C1 1359089162 CMUJLJLOALRBGL-GHTZIAJQSA-N 452.559 2.407 30 10 JEEE C=CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](S(C)(=O)=O)C1 1359217421 ZARYXXTZRAHSJO-IRXDYDNUSA-N 469.608 2.176 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1359302668 PNUMUCCEJQFSGX-UHFFFAOYSA-N 470.581 2.150 30 10 JEEE C=CCOc1ccc(Br)cc1NC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 1451171627 CAAWWFDTBXQMKD-HNNXBMFYSA-N 452.349 2.133 30 10 JEEE C#C[C@H](NC(=O)N1CCC(C(=O)NCC(=O)OCC)CC1)c1ccc(Br)cc1 1478896549 OXQIZOMGQZTOOG-KRWDZBQOSA-N 450.333 2.224 30 10 JEEE CCCn1nc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@](C)(O)C(C)C)c2ccccc2c1=O 1501078422 BWSDKYDXXOJLBF-OSPHWJPCSA-N 465.558 2.201 30 10 JEEE COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(C(N)=O)CCCC2)C[C@@H](C)O1 1504734206 GAPGTDNITGITQW-YLJYHZDGSA-N 468.558 2.015 30 10 JEEE CS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2CCCC[C@H]2C1 1505152131 HEKCOBJEEVCEDE-OALUTQOASA-N 458.588 2.294 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCc1ccc(C)cc1C)[C@H]1CCS(=O)(=O)C1 1507637975 NRRCCNMGXSWEJB-VABKMULXSA-N 486.638 2.488 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@@H]1CCC=CO1)[C@H]1CCS(=O)(=O)C1 1507640393 RHFRKYUIGGKTNJ-ROUUACIJSA-N 460.531 2.316 30 10 JEEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1507743879 DFIREJVAXYTINZ-UHFFFAOYSA-N 498.653 2.073 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1507801412 VCQZJJUILNJEJY-NTDBWNAOSA-N 460.579 2.314 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(CCOC)C(=O)C1 1507807260 LUVLYGSCNRPCRM-YUVXSKOASA-N 475.634 2.473 30 10 JEEE C=C(C)Cn1c(-c2noc3c2COCC3)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1507830062 PRHKOLARYQMZAN-UHFFFAOYSA-N 454.453 2.477 30 10 JEEE C=C(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1507836331 HELIMYGJMBKXPJ-XUVXKRRUSA-N 481.663 2.404 30 10 JEEE C=C(Cl)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(CCOCC)CC1 1507865736 UQJUYAIJHJDPIM-UHFFFAOYSA-N 461.014 2.363 30 10 JEEE C=Cc1ccc(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCc3nc(O)c(C#N)cc3C2)cc1 1507892537 QTGBBMQPRDACEO-INIZCTEOSA-N 493.593 2.309 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[C@@](C)(O)c2ccccc2)CC1 1507903111 QZFDIPDAEPVHMW-XUZZJYLKSA-N 489.642 2.311 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCS(=O)(=O)CC)C1 1508120096 YTOIUPIEMVZCTA-FQEVSTJZSA-N 456.572 2.347 30 10 JEEE C#CCN(c1nnc(CC2CCCC2)n1Cc1ccc(OC)nc1OC)[C@@H]1CCS(=O)(=O)C1 1539224350 FUKMHJSDXCDUAK-LJQANCHMSA-N 473.599 2.098 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@]1(O)CCC[C@@H]1C 1539304946 KARBSNKYHVLEDX-CYFREDJKSA-N 469.611 2.209 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(Br)s2)n1C[C@@]1(O)CCO[C@H]1C 1539400067 ZDWFBWSBSVFAEY-UGSOOPFHSA-N 455.378 2.395 30 10 JEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](c2ccccc2OC)C1 1539498002 PMRHAXRORWQIGL-SJORKVTESA-N 463.629 2.257 30 10 JEEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1539504924 CWAAIVDQRFWENR-UHFFFAOYSA-N 465.583 2.192 30 10 JEEE C=C(Br)Cn1c(-c2noc3c2COCC3)nnc1N1CCC(N(C)C(C)=O)CC1 1539593846 AZFNABSLMPQGOY-UHFFFAOYSA-N 465.352 2.362 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1539637605 RLUWIVCGAFBMCL-GCJKJVERSA-N 474.631 2.153 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(COCC)cc2)CC1 1539849627 ZBCIFRQBDBFQJL-NRFANRHFSA-N 475.615 2.352 30 10 JEEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)N1CCc2ccccc2C1)C1CC1 1540095593 SQJCWOLOFHKCHF-ZWKOTPCHSA-N 458.632 2.490 30 10 JEEE C=CCN(c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H](C)N1CCOCC1)C1CC1 1540099084 QZFNWZKICUALKW-GOSISDBHSA-N 474.631 2.071 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](c2nccs2)C1 1540899093 CQUBPNFYBNDTJL-GOSISDBHSA-N 470.580 2.452 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C(C)=O)CC1 1540899149 FNHZJDAGATZSHD-UHFFFAOYSA-N 455.943 2.007 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCN(CC2CCOCC2)CC1 1540900585 ARYBXERMIYEQQE-UHFFFAOYSA-N 489.642 2.103 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1540904522 NNBGVIZZQRHBEO-HSZRJFAPSA-N 488.589 2.094 30 10 JEEE CC(C)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1541378688 GGJKHQBJELSQAT-WMZHIEFXSA-N 473.599 2.151 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@@H]1CCOC[C@@H]1C 1545920825 AJQQNOKACNEMTM-FHWLQOOXSA-N 495.632 2.246 30 10 JEEE COC[C@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(c2ccccc2C#N)CC1 1555236558 CUNFXGZDZVHJHX-UYAOXDASSA-N 472.615 2.051 30 10 JEEE CS(=O)(=O)Cc1cccc(Cn2c(Cc3ccccn3)nnc2N2CC[C@@](F)(C#N)C2)c1 1555800927 AGXCCLTZWXJPLA-JOCHJYFZSA-N 454.531 2.299 30 10 JEEE N#C[C@H]1CN(c2nnc(COc3ccc(Br)cc3)n2CCCn2ccnn2)CCO1 1555993917 CWQWZBZIZNOXCQ-KRWDZBQOSA-N 473.335 2.030 30 10 JEEE COC(=O)[C@@H]1CN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)C[C@H]1c1ccc(Cl)cc1 1583087645 CIBSGYCLWSLIEF-VOBQZIQPSA-N 475.954 2.294 30 10 JEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2F)C1 1586840727 AYPBNXNUUJXCGD-CZUORRHYSA-N 450.923 2.413 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2N(C)CCCC2(C)C)c1 1587692881 LTGACQYMUFHCEE-SFTDATJTSA-N 477.613 2.406 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3csc(C)n3)n2C[C@]2(O)CCO[C@H]2C)c1 1587697608 UVFFVNORJHVNEW-UPCLLVRISA-N 480.594 2.230 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2cccc(C)c2C)n1Cc1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 1588030385 UEXWGPVQQYGFAM-CTNGQTDRSA-N 482.610 2.443 30 10 JEEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1CC1(OC)CCCC1)[C@H]1CCS(=O)(=O)C1 1588070285 XZJJOQLFBUFEES-IBGZPJMESA-N 488.610 2.452 30 10 JEEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(CCCc3ccccc3)C[C@H]2CC(C)C)C1=O 1588145144 NDSVDKYQARAMEP-OAQYLSRUSA-N 454.571 2.155 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2CCNC(=O)OC(C)(C)C)CC1 1588872083 WRKMNIDXNWOPDO-UHFFFAOYSA-N 454.575 2.445 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCCc2ccc(OC)c(OC)c2)CC1 1588923766 LRMZELVYKLQXEI-UHFFFAOYSA-N 489.580 2.351 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCS(=O)(=O)CC1 1589568211 HSYXANQULYYRIP-OXQOHEQNSA-N 450.536 2.212 30 10 JEEE C=C(C)COCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1593717258 CRLWPUMHCBGEMV-UHFFFAOYSA-N 477.569 2.367 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)Nc2ccc(C)cn2)CC1 1593741321 MRKNIEVYRWWIAJ-IBGZPJMESA-N 467.574 2.380 30 10 JEEE C=CCCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1594752391 IKGPIPAEWFGMFE-UHFFFAOYSA-N 463.586 2.490 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@H](N2CCCC2)C1 1595497172 SDEFVAMCOKBMPY-IBGZPJMESA-N 454.575 2.329 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCc2cc(OCC)c(OCC)cc2C1 1595529874 KNPNNTPMQHJRFN-UHFFFAOYSA-N 463.542 2.397 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Br)cc2)nnc1N1CCO[C@H](C)C1 1595577522 VTFAIQBGADKCRJ-CQSZACIVSA-N 450.337 2.147 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)C1[C@@H]2CCC[C@@H]12 1595766319 OLNWARADLGTRJZ-QZTJIDSGSA-N 464.613 2.184 30 10 JEEE CCC(CC)NC(=O)c1nnc(N(C)C[C@@H](C)C#N)n1C[C@@H](N1CCOCC1)C(F)(F)F 1613527951 DTIQZRQOUQEAKE-GOEBONIOSA-N 459.517 2.055 30 10 JEEE CCC[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1614342678 BORDHLJKSSCNSV-BKMJKUGQSA-N 481.645 2.496 30 10 JEEE CCOc1ccccc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(C#N)C1 1616453132 DFSJTQXWDVTZJK-OFNKIYASSA-N 488.614 2.188 30 10 JEEE CO[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC2CCOCC2)CC1 1618946332 BIZWXQREENIZAG-IBGZPJMESA-N 454.575 2.312 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)N2CC[C@@](CO)(Cc3ccc(F)cc3)C2)ccc1F 1628932296 ODRYWFWJPSPZBL-JOCHJYFZSA-N 450.507 2.496 30 10 JEEE N#CCC1(O)CN(C(=O)c2ccc(NS(=O)(=O)c3ccc(Br)s3)cc2)C1 1638886282 GQEQGBZSYCJBNY-UHFFFAOYSA-N 456.343 2.412 30 10 JEEE C#CC[C@]1(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2O)CCCN1C(=O)OC(C)(C)C 1649131235 VBYCINHWHWKMBP-HKARXFIJSA-N 451.564 2.266 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(C)c(Br)c2)n1CCNS(=O)(=O)CC 1690008100 VJRYDDXZVCYOTQ-UHFFFAOYSA-N 464.389 2.028 30 10 JEEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H](c1ccc(C)o1)N1CCOCC1 1690086939 DVSIJPMHYXHSEO-ONTIZHBOSA-N 457.575 2.437 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2C[C@](C)(O)C(C)C)CC1 1690140234 RBADZXSUZHJOOQ-VWLOTQADSA-N 467.570 2.089 30 10 JEEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1690220391 XSNGLNFLUBDYDV-INIZCTEOSA-N 496.410 2.344 30 10 JEEE C=C(Br)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCCN(C(C)=O)CC1 1690226548 CJWQSHZQHGNRBL-UHFFFAOYSA-N 486.374 2.159 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)nnc1C(C)(C)C 1690252818 JBHJDKWEZDKUGO-SFTDATJTSA-N 486.661 2.497 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 1690667635 BRKIWVHHZPKCSC-SFHVURJKSA-N 451.575 2.117 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCN(c2ncc(Cl)cc2Cl)CC1 1690669016 QMCRRHJMVGFNSW-UHFFFAOYSA-N 474.356 2.066 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1690722759 UUMAGYBZHDCEJU-UHFFFAOYSA-N 483.573 2.222 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1690726854 NRZJXLYKEZFWNU-UHFFFAOYSA-N 478.663 2.340 30 10 JEEE CCc1nn(C)c(OC)c1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1694608945 AZBLNMUMUWLWMU-SFHVURJKSA-N 483.598 2.183 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(I)cc1 1705494511 BCGKCRIKZVBYRN-HIFRSBDPSA-N 484.363 2.291 30 10 JEEE C#CCN(C)c1nnc(COc2ccc(C)c(C)c2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1705557270 MPEDGWUHKOSRFN-JOCHJYFZSA-N 452.603 2.486 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1csc([C@H](C)OC)n1)[C@H]1CCS(=O)(=O)C1 1705562140 YQSRIHHKWCNYJS-HOCLYGCPSA-N 451.618 2.415 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1Cc1ncccc1C)[C@@H]1CCS(=O)(=O)C1 1705562900 MHXRIACNRGOBTQ-LJQANCHMSA-N 451.552 2.332 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1CCc1c(F)cccc1F)[C@H]1CCS(=O)(=O)C1 1705564449 OLFIEGNVYDLMQA-INIZCTEOSA-N 459.522 2.431 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCC1(COC)CCC1)[C@@H]1CCS(=O)(=O)C1 1705564687 DSOSYUYZONHFOW-RTBURBONSA-N 450.605 2.006 30 10 JEEE C#CCN(c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1705564693 CFCQNYCAEDJQDW-HKUYNNGSSA-N 468.583 2.177 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1CC1(C(N)=O)CCCC1)[C@H]1CCS(=O)(=O)C1 1705567967 DQLVIPPSKMIVPQ-FQEVSTJZSA-N 499.637 2.146 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(OC)ccc2Br)n1C[C@@]1(O)CCO[C@H]1C 1705576489 LRBCIOYEVLZNEV-BTYIYWSLSA-N 459.344 2.329 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1ccc(OC(C)C)nc1 1705576597 NONOPSRJDIVZGT-UHFFFAOYSA-N 453.510 2.224 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1c(Cl)c(C(F)(F)F)nn1C 1705612437 GWJXROWQIFZUTK-LLVKDONJSA-N 464.901 2.094 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(F)cc3Br)n2CC(C)(C)C(=O)NC)CC1 1705636406 IWWRVBBFGIYBLJ-UHFFFAOYSA-N 477.382 2.374 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccc(COC(C)(C)C)c2)CC1 1705639879 YMMVGZMYQOFMBX-QFIPXVFZSA-N 485.654 2.299 30 10 JEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)Nc2ccccc2)CC1 1705651799 IEOJXXKWSREUKD-KRWDZBQOSA-N 490.655 2.110 30 10 JEEE C#CCSCCn1c(CCOc2ccccc2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1705663529 KZWTVWUABDQUPZ-UHFFFAOYSA-N 483.638 2.341 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)Oc2cccc(F)c2)CC1 1705769384 QXOLHQIPDLWHQF-YLJYHZDGSA-N 479.578 2.374 30 10 JEEE C=CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1705803442 QOAUWTFZTWAWDC-IBGZPJMESA-N 456.576 2.291 30 10 JEEE C=CCCOCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1705826885 MIAVHUUPFKCVJP-SFHVURJKSA-N 456.547 2.111 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC[C@@H]1COCCO1 1705885593 XVRJOBNHBYORKD-MOPGFXCFSA-N 481.594 2.031 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCCN(C(=O)CCc2ccccc2)CC1 1705905666 CLBLPKQQRYXDQA-UHFFFAOYSA-N 487.608 2.238 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1705906735 NKCVWRCTKFQTPG-LJQANCHMSA-N 454.575 2.271 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCC(=O)NC(C)C)C1 1705925905 VVSCGAPQPXBWSK-MOPGFXCFSA-N 492.621 2.283 30 10 JEEE C[C@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1706069576 FTVRZWMZYGWSJD-HUUCEWRRSA-N 450.469 2.405 30 10 JEEE CN(C)C(=O)[C@H]1CCCN1CCCn1c(Cc2ccccc2F)nnc1N1CC[C@](F)(C#N)C1 1710973862 CZMABGMWZHBYBA-YKSBVNFPSA-N 471.556 2.393 30 10 JEEE C#CCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1722324171 MBPUXUFIWYFANQ-INIZCTEOSA-N 454.506 2.491 30 10 JEEE C#CCN(c1nnc(-c2cc(C)nc3ccccc23)n1CCCOC)[C@H]1CCS(=O)(=O)C1 1722362754 BVZJYEHJMZQPRM-SFHVURJKSA-N 453.568 2.465 30 10 JEEE C#CCN(c1nnc(-c2ccc(OCC)c(OC)c2)n1CCC1(O)CCC1)[C@H]1CCS(=O)(=O)C1 1722363424 SZJULSXLRIFLSK-IBGZPJMESA-N 488.610 2.284 30 10 JEEE C#CCN(c1nnc(CCOc2ccccc2)n1C[C@H]1CCCS1)[C@H]1CCS(=O)(=O)C1 1722371756 LHQFCNURJRXHPB-AZUAARDMSA-N 460.625 2.422 30 10 JEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1CC(C)(C)OC)[C@@H]1CCS(=O)(=O)C1 1722372111 PKARPXWIBQNHNB-LJQANCHMSA-N 460.600 2.124 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCO[C@@H]1C(C)C 1722374708 CHGBCPLDETVAQU-RBBKRZOGSA-N 469.611 2.329 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC(Oc2c(OC)cccc2OC)CC1 1722698312 YHAQMRYVZGJMMG-UHFFFAOYSA-N 479.541 2.102 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CCC1CC1 1722727909 PNCZCKMJUPNHTR-UHFFFAOYSA-N 456.572 2.029 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 1722730448 RWKJBEUCGPRQPF-UHFFFAOYSA-N 478.018 2.334 30 10 JEEE CC(=O)NC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCc2nc(C)c(C)s2)CCO1 1722848081 GEONUILSXDXZFP-OAQYLSRUSA-N 495.609 2.386 30 10 JEEE C[C@H](CC#N)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCS(=O)(=O)N(C)C 1723777924 BUCVCQMLWJPDEG-MRXNPFEDSA-N 483.639 2.022 30 10 JEEE Cc1cc(C)n(Cc2nnc(N3CCN(c4cc(C#N)ccn4)CC3)n2C[C@](C)(O)C(C)C)n1 1726122385 BEWVJHOUUVEHSJ-DEOSSOPVSA-N 463.590 2.140 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCC[C@H]2OC)c1 1740563224 RHNLZZWWIHRGOE-YSIASYRMSA-N 450.543 2.101 30 10 JEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1740581502 ZDAXKYSJSMXPSZ-YESZJQIVSA-N 468.624 2.041 30 10 JEEE C#CCN(C)c1nnc(-c2cccc(Br)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1740601675 IANYOWWYWPSVOI-MRXNPFEDSA-N 452.378 2.201 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@H](C)c1nc(C)cs1)[C@H]1CCS(=O)(=O)C1 1740616525 CDAVDSDUNZFBSI-ZJBJCVSYSA-N 493.655 2.126 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@]1(O)CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1740618984 FDYKUHGWHCKRKZ-GBXCKJPGSA-N 467.595 2.385 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1CC[S@@](=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1740621926 QGERKIOUEZKDGS-NMEJYPJZSA-N 478.640 2.128 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[C@@H](C)N2CCCCC2)CC1 1740824940 GFNBEPSNPXGPQE-UXHICEINSA-N 466.652 2.032 30 10 JEEE C=CCN(CC=C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1CCS(=O)(=O)CC1 1740927795 OQWKNCJESNYLMQ-UHFFFAOYSA-N 493.655 2.199 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1-c1cnn(C)c1 1740941646 PMAZFKKOCUDMKM-IBGZPJMESA-N 470.599 2.268 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1740963352 IKZCTZYIORFDLA-ICSRJNTNSA-N 466.586 2.306 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H]2[C@@H](C1)C2(C)C 1740992466 QPMVJNOVQZAKRP-FGTMMUONSA-N 495.646 2.280 30 10 JEEE C=CCS(=O)(=O)CCn1c(CSc2ccc(C)cc2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1740994390 QVWWUYSVFABZBE-KRWDZBQOSA-N 463.629 2.147 30 10 JEEE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3ccccc3C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1741016568 IPBOCHJLYNDBNZ-RSTPCFTMSA-N 477.569 2.085 30 10 JEEE CC(=O)N1CC[C@@H](CN(C)c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N2CCCCC2)C1 1741030231 CGOWGZYRHKNUHI-QFIPXVFZSA-N 493.612 2.436 30 10 JEEE CC(C)Cc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CCS(=O)(=O)NC(C)C 1741474327 GQTGRFDVIHDRCQ-UHFFFAOYSA-N 477.610 2.142 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1ccnc(OCC(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 1748812410 VHGHVRRTPSMLBW-INIZCTEOSA-N 494.499 2.284 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CC1(SC)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1748814814 JJYSSBPPGAORFX-QZTJIDSGSA-N 468.645 2.059 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCc1ncc(CC)s1)[C@H]1CCS(=O)(=O)C1 1748817097 FCPULFAIEPHVCH-SJORKVTESA-N 463.629 2.060 30 10 JEEE C#CCN(c1nnc([C@@H]2COc3ccccc3O2)n1CCCOC(C)C)[C@@H]1CCS(=O)(=O)C1 1748817139 FVQVFPNAALRILU-NQIIRXRSSA-N 474.583 2.232 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCO[C@H]2C(=C)C)CC1 1748994341 DSFQTPXUAIQBNL-NQIIRXRSSA-N 454.600 2.006 30 10 JEEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC1 1748999111 IYKDVWCZKXRDAE-OAQYLSRUSA-N 492.546 2.184 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCCO2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1749131488 SQMQSYYVGAOLLF-XPNTWCBSSA-N 474.650 2.491 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CC[C@@H](C(=O)N(C)c2ccccc2)C1 1749670779 VNBYIVUVBPJMIK-UYAOXDASSA-N 452.559 2.311 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N(C)C[C@@H]1CN(CC)c2ccccc2O1 1749676640 XXTIQUCDIPYJSZ-HXUWFJFHSA-N 461.570 2.290 30 10 JEEE CC(=O)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCC[C@H](O)C2)CC1 1749838770 DXARBKWPJNWTEA-RTWAWAEBSA-N 452.559 2.338 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1760109998 JGQZTVRNFXFEBI-FUHWJXTLSA-N 497.600 2.179 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1CCCS(=O)(=O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1760181955 FQLNRTNWIXZMME-RTBURBONSA-N 478.640 2.282 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1CCCCSC)[C@H]1CCS(=O)(=O)C1 1760183595 BYWMDUPLGUGCOR-SFHVURJKSA-N 476.624 2.486 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@H](C)c1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1760185433 XCHDRHOJYBHYBF-MAUKXSAKSA-N 456.572 2.319 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@@H]1CCC[C@@H](O)C1)[C@@H]1CCS(=O)(=O)C1 1760187910 YSSIAYHQORRWMN-CEMLEFRQSA-N 456.612 2.355 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1ccc(F)c(COC)c1)[C@H]1CCS(=O)(=O)C1 1760188245 NYOPHWNUVYXPOK-FPOVZHCZSA-N 476.574 2.480 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCC(=O)N2CCCCC2)CC1 1760251876 KJPKCNDXSPGODY-UHFFFAOYSA-N 498.031 2.019 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCNC(=O)C(C)(C)C)CC1 1760254643 DJEONXAEPUWSDN-UHFFFAOYSA-N 460.529 2.464 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCn2cc(Cl)cn2)CC1 1760266972 CMFSGVIUIVWYBC-UHFFFAOYSA-N 497.987 2.478 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCCCO2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1760306985 LXWUZSJKEUFDOI-IFXJQAMLSA-N 467.368 2.243 30 10 JEEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1760311582 UENNKMWBOCYCTF-AWEZNQCLSA-N 452.382 2.098 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCCN(C(C)=O)CC1 1760324774 MRYRSINWWNFYFC-WIYYLYMNSA-N 472.615 2.309 30 10 JEEE C=CC1CCN(c2nnc(CN3CCCC3=O)n2Cc2cccc(OCC(=O)N(C)C)c2)CC1 1760404905 NLZKLFQERMLZJR-UHFFFAOYSA-N 466.586 2.318 30 10 JEEE C=CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1C[C@H]1CCS(=O)(=O)C1 1760501960 JGJOAGLIKFHALE-CQSZACIVSA-N 472.409 2.120 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1760552918 GIBUPZMFWWPFMB-UHFFFAOYSA-N 492.609 2.151 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N(C)C[C@@H]1CN(CC)c2ccccc2O1 1760555909 QOAFCYNPIUVQDK-RBUKOAKNSA-N 475.615 2.107 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1760557248 FQVDLADRIUBCHP-LJQANCHMSA-N 489.646 2.009 30 10 JEEE Cn1cccc1-c1nnc(N2CCO[C@H](C#N)C2)n1CCCS(=O)(=O)Cc1ccccc1 1767497017 ANUDIOBZGHXVKC-LJQANCHMSA-N 454.556 2.017 30 10 JEEE Cn1nncc1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 1769088802 FDAADAPAEBLRRZ-LJQANCHMSA-N 491.600 2.284 30 10 JEEE CC(=O)NCCNC(=O)Nc1ncccc1OCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 1858793092 BUZYTTKGCPBEOL-ZDUSSCGKSA-N 470.555 2.415 30 10 JEEE CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CCN2CCOCC2)ccc1O 1862634359 XBZYKQIOEMTTEE-QHCPKHFHSA-N 496.516 2.430 30 10 JEEE CCOC(=O)C1CCN(C(=O)[C@@H](C)NC(=O)C2CCN([C@@H](C#N)c3cccs3)CC2)CC1 1868782882 MKXXLCRKAZTMCS-APWZRJJASA-N 460.600 2.331 30 10 JEEE CN1C(=O)c2ccc(-n3nnc(C#N)c3NC(=O)c3ccc(Br)cc3)cc2C1=O 1870150440 KLWSOECHCJCUCX-UHFFFAOYSA-N 451.240 2.380 30 10 JEEE C=CCn1cc(OCC(=O)Nc2nnc(C)s2)c(=O)cc1CN(CCO)Cc1ccccc1 1870570604 GFMHLNFZACVEOA-UHFFFAOYSA-N 469.567 2.206 30 10 JEEE C=CCN=c1nc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)[nH]c(=Nc2ccc3c[nH]nc3c2)[nH]1 1871699486 DRVDISAXCNITGA-UHFFFAOYSA-N 472.513 2.168 30 10 JEEE COc1ccc(N2C[C@@H](c3nnc(SCCO)n3/N=C/c3ccc(O)cc3)CC2=O)cc1 1874197846 CRISGWWQEGQIHA-OHHQFBAHSA-N 453.524 2.479 30 10 JEEE COc1cccc(/C=N/n2c(CNC(C)=O)nnc2SCC(=O)Nc2ccc(F)cc2)c1O 1874431219 GUXSOOYXWRUBSA-YSURURNPSA-N 472.502 2.381 30 10 JEEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)[C@H]3CC(=O)N(c4ccccc4)C3)CC2)CC1 1889491595 KWZYPSYLAMXAHI-QHCPKHFHSA-N 466.626 2.077 30 10 JEEE N#Cc1ccnc(O[C@H]2CCN(C(=O)[C@@H]3CCCCN3S(=O)(=O)c3cccc([N+](=O)[O-])c3)C2)c1 1891674427 MNLHRILEPMFOBB-ICSRJNTNSA-N 485.522 2.085 30 10 JEEE CC(C)([C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)[S@@](=O)CC(=O)NCC#N 2019033732 UHBZSNCCFKAGKE-TXRXYBTHSA-N 483.546 2.145 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)NCC1(CO)CN(C(=O)OC(C)(C)C)C1 2081961971 PTMYBUSHWDYTGQ-INIZCTEOSA-N 454.568 2.309 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H]1NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2247952431 NJILLJIAALDMMA-STQMWFEESA-N 458.411 2.381 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H]1NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2247952987 RAWPSLZAQNKCJL-GXTWGEPZSA-N 458.411 2.239 30 10 JEEE CCOC1(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)s2)CN(C(=O)OC(C)(C)C)C1 2256617162 HKGBUXWNASNXLC-UHFFFAOYSA-N 453.370 2.407 30 10 JEEE COC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)Oc1nccc(B2OC(C)(C)C(C)(C)O2)c1F 2266001675 FDWMIPONKDRPMT-SWLSCSKDSA-N 454.304 2.354 30 10 JEEE CC1(C)OB(c2scnc2C(=O)NC[C@@]2(O)CCCN(Cc3ccccc3)C2)OC1(C)C 2267174684 GWKQINJRYMSAIK-QHCPKHFHSA-N 457.405 2.199 30 10 JEEE CC(C)C[C@H](CNC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2267518015 BTSWDSGHJUANCP-OAHLLOKOSA-N 450.389 2.389 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@@H](NC(=O)C(F)(F)F)[C@@H](C)C1 2267527526 IVYAJHJCUYBRJU-CMPLNLGQSA-N 461.315 2.280 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H]1COCCN(C(=O)OCc2ccccc2)C1 2267599316 NJVZDNOAEMJEBQ-FQEVSTJZSA-N 483.374 2.092 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](OCC(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)C1 2268702955 YDANPLABQOTXOO-AWEZNQCLSA-N 467.397 2.085 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)Nc2ccc(F)c(B3OC(C)(C)C(C)(C)O3)c2)C1 2268714261 IEFLJQSBNXURIQ-QFIPXVFZSA-N 450.316 2.435 30 10 JEEE C=C(CS(=O)(=O)N1CCC[C@](O)(CN(C)C(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2270851563 MKVQSVJKPBXFCT-NRFANRHFSA-N 474.429 2.198 30 10 JEEE CC[C@@H]1CN(C(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)CC[C@H]1NC(=O)OC(C)(C)C 2281821805 GSUZHLVBMLDOMD-NVXWUHKLSA-N 462.400 2.485 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)[C@@]2(CCOC2)C1 2281829349 XJEMBMATGVSHAU-HJPURHCSSA-N 462.352 2.477 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 2281968550 XTMISZCXUTVQQE-HOTGVXAUSA-N 460.384 2.141 30 10 JEEE CC(C)[C@H]1[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)CCN1C(=O)OC(C)(C)C 2281969695 AQBXWHCTVZDKJM-QAPCUYQASA-N 462.400 2.483 30 10 JEEE CC(C)(C)OC(=O)NC[C@]1(F)C[C@H](CNC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2282021993 DDKYPUHOZDNERA-CAJLXGCNSA-N 464.347 2.149 30 10 JEEE CC(C)(C)OC(=O)NC[C@@]12CN(C(=O)c3occc3B3OC(C)(C)C(C)(C)O3)C[C@H]1CCO2 2282049457 ZLNGNDOCRXBOIF-IQMFZBJNSA-N 462.352 2.335 30 10 JEEE C[C@@H]1CN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1CCNC(=O)OC(C)(C)C 2282185469 HMBYSPTZNKKUBH-CVEARBPZSA-N 460.384 2.399 30 10 JEEE C=CCC1(NS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CN(C(=O)OC(C)(C)C)C1 2282354093 MCWGFCZXKUIYGA-UHFFFAOYSA-N 479.408 2.225 30 10 JEEE CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2282396200 WMGUCSKXQOMVNX-ROUUACIJSA-N 464.343 2.489 30 10 JEEE Cn1cc(C(=O)N2CC[C@@H]3CCN(C(=O)OC(C)(C)C)[C@@H]3C2)nc1B1OC(C)(C)C(C)(C)O1 2282550551 AKSZXXPKCBDOFH-NVXWUHKLSA-N 460.384 2.191 30 10 JEEE CON(C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1)C1CCN(C(=O)OC(C)(C)C)CC1 2282554072 YDULJPREXGZIGW-UHFFFAOYSA-N 464.372 2.122 30 10 JEEE Cc1cc(C(=O)NC[C@H]2CN(C)CCN2Cc2ccccc2)oc1B1OC(C)(C)C(C)(C)O1 2282589273 LOEZHWHMTCHJHU-FQEVSTJZSA-N 453.392 2.433 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)n1 2282590843 HRKUYUWLGUGCMC-HLLBOEOZSA-N 460.384 2.187 30 10 JEEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CN(C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)CC2 2282707406 YMEFLPHCAOZXRN-HOTGVXAUSA-N 458.368 2.390 30 10 JEEE CC(C)(C)OC(=O)N1CC(F)(CNS(=O)(=O)Cc2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2282842853 DTCOHSFONJEYEG-UHFFFAOYSA-N 484.399 2.364 30 10 JEEE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1N(C)C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2283058492 FBYNKUBRXCXENM-HOTGVXAUSA-N 460.384 2.493 30 10 JEEE CN(Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)[C@@H]1COC[C@H]1NC(=O)OC(C)(C)C 2283962532 IKPCXBXGZKYZHY-RTBURBONSA-N 460.380 2.484 30 10 JEEE Cn1c(C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)cnc1CNC(=O)OC(C)(C)C 2283984942 CJRGDPXVNUTKGS-UHFFFAOYSA-N 477.396 2.131 30 10 JEEE CC(C)(C)OC(=O)NC[C@H](CO)C(=O)N1CCCc2ccc(B3OC(C)(C)C(C)(C)O3)cc21 2284046677 DLYIXSSJGWYEMS-QGZVFWFLSA-N 460.380 2.398 30 10 JEEE Cc1cc(CNC(=O)C2(NC(=O)OC(C)(C)C)CC(O)C2)ccc1B1OC(C)(C)C(C)(C)O1 2289570506 NNFCGGCGSNSDBT-UHFFFAOYSA-N 460.380 2.329 30 10 JEEE COC(=O)CSc1nnc(CNC(C)=O)n1N=Cc1ccc(OC(=O)c2ccccc2)cc1 2330770504 XCPXFTFJRDYBIB-UHFFFAOYSA-N 467.507 2.281 30 10 JEEE COCCc1nnc(SCC(=O)NCc2ccco2)n1N=Cc1ccc2c(c1)OCCO2 2331273386 KPWVVCKQWBWKCA-UHFFFAOYSA-N 457.512 2.122 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(O[C@@]2(C(N)=O)CCCN(C(=O)OC(C)(C)C)C2)n1 2362185894 IBWZBWAGLAZOBA-QHCPKHFHSA-N 461.368 2.323 30 10 JEEE C=CCNC(=O)[C@H](NC(=O)c1ccccc1)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 36214717 NXCVSNMXAYDWMM-JOCHJYFZSA-N 455.580 2.497 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)[C@@H](C)[S@@](=O)CCN3C(=O)c4ccccc4C3=O)cc21 586354094 UMVDFJCYESCPSP-CAROCFPZSA-N 466.515 2.214 30 10 JEEE COC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(CN2CC(=O)N(Cc3ccc(C#N)cc3)C2=O)CC1 726585636 HMZRBMJTADSIAB-QHCPKHFHSA-N 495.967 2.465 30 10 JEEE C=CCOC[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2C)cc1)C(=O)OC 1139175544 HSXLQTYBUHSVAO-GOSISDBHSA-N 450.488 2.409 30 10 JEEE C=CCOC[C@H](NC(=O)c1cc(Cl)c(I)cc1OC)C(=O)OC 1139176316 VSRLQTIZOHAZSB-LBPRGKRZSA-N 453.660 2.427 30 10 JEEE N#CCCN1CCN(C(=O)C2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)CC1 1152067842 HDVAGEMNHPFQMP-UHFFFAOYSA-N 458.506 2.164 30 10 JEEE C=CC[C@@H](NS(=O)(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1)c1ccncc1 1209813410 ORJAMHBUXOVACV-LJQANCHMSA-N 451.570 2.007 30 10 JEEE C#CCSCCNS(=O)(=O)c1cc(C)c(I)c(C(=O)OC)c1 1209908537 BEFLHWXRAAJIJV-UHFFFAOYSA-N 453.323 2.031 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(CC)CC)n2C[C@H]2CCCO2)c1 1286308015 DBAASJICNGJAKJ-HXUWFJFHSA-N 452.559 2.432 30 10 JEEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1286356684 MUJYAUHDAWFHJB-FQEVSTJZSA-N 468.583 2.146 30 10 JEEE C#CCN(c1nnc(C2(c3ccccc3)CCC2)n1CCNC(=O)C(C)C)[C@H]1CCS(=O)(=O)C1 1286383132 LGZAEPDABYXRNA-NRFANRHFSA-N 483.638 2.147 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1Cc1cnccc1OC)[C@@H]1CCS(=O)(=O)C1 1286392939 IEVGHHHMFOZAEI-QGZVFWFLSA-N 487.532 2.226 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1Cc1cnn(CC)c1)[C@H]1CCS(=O)(=O)C1 1286394670 PLJLWNWQCMTDEZ-NRFANRHFSA-N 452.584 2.069 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(OCC)c(OC)c2)CC1 1286646825 WBNVPFQNSTVIOD-OAQYLSRUSA-N 491.614 2.223 30 10 JEEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1286700499 ODKDLBPFMDPKAP-GOSISDBHSA-N 461.563 2.248 30 10 JEEE CC(C)NS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)[C@H](C)CC#N 1288268597 GBPPVMHGGIJSIR-MRXNPFEDSA-N 456.576 2.401 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC(Cc3cc(OC)cc(OC)c3)C2)s1 1294145826 KDILMHSPUZFZBK-UHFFFAOYSA-N 450.582 2.473 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@](C)(O)c1ccsc1)[C@H]1CCS(=O)(=O)C1 1300481713 BORPQABIISJLLN-REWPJTCUSA-N 481.603 2.413 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1C[C@H]1NC(=O)CC1(C)C)[C@@H]1CCS(=O)(=O)C1 1300504362 MPNMCYZBQBHVHH-TZIWHRDSSA-N 499.637 2.015 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCNC(=O)c1cc[nH]n1 1300580897 LLJZFGOIIRNKIF-LJQANCHMSA-N 494.600 2.009 30 10 JEEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC1 1300701202 JYQZTBFLZXMHKA-HXUWFJFHSA-N 498.500 2.165 30 10 JEEE C=C(C)COCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1300981300 XLMAKMCFUOWFHA-FQEVSTJZSA-N 479.589 2.255 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC(O)(c2c(F)cccc2F)CC1 1301506295 ILYPPQSJVXUADC-UHFFFAOYSA-N 468.508 2.332 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccccc2F)C[C@H]1C 1301579053 LXOSIQRCTZUCNB-QGZVFWFLSA-N 473.578 2.134 30 10 JEEE CS[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1302565595 FJVINUFPXDTSCG-HKUYNNGSSA-N 490.655 2.485 30 10 JEEE CC(C)CN1CCO[C@H](Cn2c(C(=O)N3CCCC3)nnc2N(C)Cc2cccc(C#N)c2)C1 1303200365 ASDXAXJMNQPEKR-QFIPXVFZSA-N 465.602 2.379 30 10 JEEE Cc1cccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H](C(C)C)N2CCOCC2)c1 1304512239 GKGQTGZRHIZPJA-YADHBBJMSA-N 454.575 2.251 30 10 JEEE CN(c1nnc(-c2cccc(C#N)c2)n1CC1CN(C(=O)OC(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1314681841 HEEONHDXMYQEJX-LJQANCHMSA-N 486.598 2.307 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@H](C)N(C)C1CC1)[C@@H]1CCS(=O)(=O)C1 1358959035 AMZQITKYLRQANS-PKOBYXMFSA-N 457.600 2.063 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](CC)OC)[C@H]1CCS(=O)(=O)C1 1358967273 HELXVRBLZSGJLK-WJFTUGDTSA-N 452.621 2.248 30 10 JEEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(CN2CCC(O)CC2)cc1 1358982398 VRTDVJDKCXFXJZ-UHFFFAOYSA-N 471.609 2.218 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2cccc(CN(C)C)c2)CC1 1359048673 YSXONOMAECPHFM-ZEQRLZLVSA-N 494.640 2.078 30 10 JEEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1359089597 LMCWTMMEQCFRQV-FHLIZLRMSA-N 467.412 2.027 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2c[nH]c3ccccc23)nnc1N1C[C@H](C)O[C@@H](COC)C1 1359330873 FZKBXULDFNTVJV-DLBZAZTESA-N 459.572 2.267 30 10 JEEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCCN2CCC[C@H]2CO)[C@H](C)C1 1359385429 AFLUMNCHJOMQKR-XXBNENTESA-N 465.602 2.111 30 10 JEEE C=CCNC(=O)c1ccc(NC(=O)N2CC(n3cc(CNC(=O)OC(C)(C)C)nn3)C2)cc1 1465340630 SPLZXHPSBMPCJE-UHFFFAOYSA-N 455.519 2.307 30 10 JEEE COc1ccc(C(=O)N2CCOCC2)cc1NC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 1465446986 AVPDYXZCOTVCGI-GOSISDBHSA-N 451.483 2.119 30 10 JEEE Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 1474781374 AHNZVQMNXPPIQF-UHFFFAOYSA-N 457.936 2.354 30 10 JEEE CCC[C@@H](C)NC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N(C)C)C1 1500077144 AVIYJDLJWNWISD-XLIONFOSSA-N 451.575 2.426 30 10 JEEE CCCS(=O)(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCc2cnn(C)c2)CC1 1501332415 DMVWFFYULJMJMQ-UHFFFAOYSA-N 496.641 2.481 30 10 JEEE COc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1CCN(C)CC(F)(F)F 1504440826 GFWKYOMSOFFKPA-HNNXBMFYSA-N 454.453 2.089 30 10 JEEE C#CCCCn1c(CC)nnc1N1C[C@H](NC(=O)OC(C)(C)C)C2(CCS(=O)(=O)CC2)C1 1507590655 FHWAWTNSWFEUBL-KRWDZBQOSA-N 465.620 2.162 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CCc1ncc(CC)s1)[C@H]1CCS(=O)(=O)C1 1507634785 MQEUCCCDFGQLPA-SFHVURJKSA-N 470.624 2.152 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1Cc1nccn1C(F)F)[C@H]1CCS(=O)(=O)C1 1507635730 ZCGVNRZEKDILRW-INIZCTEOSA-N 478.500 2.275 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](C)CN1CCOCC1 1507691879 OXKGXTDBUQPZAQ-UXHICEINSA-N 476.622 2.014 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCCO[C@@H]2c2ccccc2)CC1 1507715892 JTLNXJJYIBLMGI-FCHUYYIVSA-N 450.587 2.339 30 10 JEEE C=C(C)COCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1507835612 HIJPBRYAGDSRGM-GOSISDBHSA-N 482.006 2.078 30 10 JEEE C=CC[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](CNC(C)=O)C1)c1ccccc1 1507920545 MLUVQLQEDVPQHH-SFTDATJTSA-N 454.575 2.118 30 10 JEEE C=CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCN1CCN(C(C)=O)CC1)C1CC1 1507990690 HHLPVNHIQGUEKC-UHFFFAOYSA-N 465.602 2.466 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCOC[C@H]1C 1519151117 HZVUWQIKJDCZRZ-STZQEDGTSA-N 487.626 2.377 30 10 JEEE C#CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1539071759 DHMNJGCBNPBCKR-DHIUTWEWSA-N 458.651 2.207 30 10 JEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1cccc(C(=O)NC)c1 1539179567 PXPFWGMMBNZGGA-HXUWFJFHSA-N 482.585 2.258 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)o2)n1Cc1ccc(C[S@@](C)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1539211590 IZACLHHIPGOOOM-QTYPKTMWSA-N 486.619 2.400 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCOCc1ccccc1)[C@H]1CCS(=O)(=O)C1 1539219394 CDIYAUUUHUXQKJ-LEWJYISDSA-N 458.584 2.363 30 10 JEEE C#CCN(CC#CC)c1nnc(COc2ccc(Cl)cc2)n1Cc1nnnn1CC1CC1 1539337002 IUSGRWMVUYHSJZ-UHFFFAOYSA-N 450.934 2.418 30 10 JEEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(CN2CCO[C@@H](C)C2)c1 1539337905 ODQOQJBVLYKWHQ-FQEVSTJZSA-N 450.587 2.243 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(Cl)cc3)n2Cc2ccn(C)n2)CC1 1539488490 KLPRBPRNISYUDT-UHFFFAOYSA-N 467.961 2.258 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H](C)N2CCC(C)CC2)CC1 1539490019 QTEYUGBQYPXZBI-PUHATCMVSA-N 486.661 2.088 30 10 JEEE C#CCSCCn1c(C2CCC2)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1539514275 PHSYECYHJPVISY-KURKYZTESA-N 495.671 2.039 30 10 JEEE C#CCSCCn1c(COc2ccc(C)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1539527184 WMHYDUUZMRHAJJ-QFIPXVFZSA-N 482.654 2.275 30 10 JEEE C=C(C)COCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1539735739 SWOXDYYNCKIVOE-UHFFFAOYSA-N 490.568 2.467 30 10 JEEE C=C(Cl)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1539779773 FRQHWRSUMIYUKI-HUUCEWRRSA-N 466.922 2.084 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCn2cc(Br)cn2)CC1 1539889757 BXDPHIBHGDXMQO-OAHLLOKOSA-N 469.409 2.242 30 10 JEEE C=CCNC(=O)Cn1c(N2C[C@H](C)O[C@H](c3ccsc3)C2)nnc1[C@]1(OCC)CCOC1 1540876692 YHXVQBYKRDSNPM-ZJBJCVSYSA-N 461.588 2.260 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1540904532 NNBGVIZZQRHBEO-QHCPKHFHSA-N 488.589 2.094 30 10 JEEE C=CCSCCn1c(-c2ccc(CC)cc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1540910809 IEMPXUJENTXSET-UHFFFAOYSA-N 484.670 2.408 30 10 JEEE COc1ccc(NC(=O)[C@@H]2CSCN2C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)cc1 1542803406 DPDCRSZLUGHDNR-IBGZPJMESA-N 459.549 2.022 30 10 JEEE CCC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1)OC 1546917546 APIVJJFZOBBMKZ-ICSRJNTNSA-N 453.547 2.100 30 10 JEEE CCNC(=O)C(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1547738846 HYUMLEXVJNPEAW-IBGZPJMESA-N 467.574 2.028 30 10 JEEE C#CCC1(O)CCN(C(=O)c2cc(I)ccc2N2CCOCC2)CC1 1558101916 AHQLVAXSKWRTHD-UHFFFAOYSA-N 454.308 2.118 30 10 JEEE N#Cc1cc(F)c(S(=O)(=O)N2CCN([C@@H](C(N)=O)c3ccc(Cl)cc3)CC2)c(F)c1 1561458041 AQAGLYIVLMWILC-QGZVFWFLSA-N 454.886 2.023 30 10 JEEE C#CCN(C(=O)N[C@@H](CC)CNS(C)(=O)=O)[C@H]1CCOc2ccc(Br)cc21 1564781515 IUQWGUSGHNOHBF-HOCLYGCPSA-N 458.378 2.245 30 10 JEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccccc2C)CC1 1587766517 WERUWNAWHWSBJV-QFIPXVFZSA-N 486.642 2.050 30 10 JEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC1CN(C(=O)OCc2ccccc2)C1 1587856088 GQQUFQBWEUCTQL-NRFANRHFSA-N 485.610 2.298 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccc(-n2nc(C)cc2C)nc1)[C@@H]1CCS(=O)(=O)C1 1588030258 RWGOSOKKQUVDLC-HXUWFJFHSA-N 481.626 2.448 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC1CC(OC(C)(C)C)C1 1588384952 DNBVTHWZDVZTLH-CTWPCTMYSA-N 467.636 2.054 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CC(C)(C)N2CCC[C@@H](C)C2)CC1 1588923803 MLAWUUIOLXZEEI-LJQANCHMSA-N 464.618 2.211 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CC(=O)Nc2c(C)cccc2C)CC1 1588946607 GBPYQIIAVHKLFD-UHFFFAOYSA-N 485.592 2.485 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2CCNC(=O)C(C)(C)C)CC1 1588955202 RGQKZQTXGAJFOV-UHFFFAOYSA-N 456.616 2.059 30 10 JEEE C#CCSCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCN(CC(=O)NC(C)C)CC1 1589053813 UYJYBCYRYXGBOV-UHFFFAOYSA-N 465.627 2.439 30 10 JEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(c2ccc(OC)cc2)CC1 1589059765 JTBUOYIHKPOHTA-HXUWFJFHSA-N 454.600 2.321 30 10 JEEE C=C(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1593630807 OOZXKSZAXOTJGT-QZTJIDSGSA-N 463.579 2.329 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1595466098 DWVZAJPPWIWOMP-IBGZPJMESA-N 481.601 2.143 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CCO[C@]2(CCOC2)C1 1595496852 ITUNGHDZGITBHB-OAQYLSRUSA-N 492.374 2.014 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@H]([C@@H]3CCCO3)C2)cc1 1595607235 BTGYLQINNUHCHJ-SFTDATJTSA-N 455.559 2.414 30 10 JEEE C=CCOc1ccc(Cn2c([C@H]3CCCCO3)nnc2N2CCO[C@H](CNC(C)=O)C2)cc1 1595614621 YEJNCPKNLVTJEB-FGZHOGPDSA-N 455.559 2.474 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC(O)(Cc2ccccc2F)CC1 1595798035 LOQSDMNBVMTPHB-HXUWFJFHSA-N 492.617 2.486 30 10 JEEE C[C@H](CNC(=O)OC(C)(C)C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1 1611627311 GWABZGPSMDWTPS-WBVHZDCISA-N 466.608 2.081 30 10 JEEE C#C[C@H](NC(=O)c1cn(CC)c2cc(N3CCN(C)CC3)c(Cl)cc2c1=O)[C@@H]1CCCO1 1633398033 UDECRASIRXOPKM-UGKGYDQZSA-N 456.974 2.337 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@@H]([C@H]2CCCCN2C(=O)CCn2cc(C#N)c(O)nc2=O)C1 1637601136 BSFJLCDOISOSGG-SJLPKXTDSA-N 459.547 2.239 30 10 JEEE C=CCCC[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1)C(=O)OC 1644819533 LJXAXBQMODPCQP-HXUWFJFHSA-N 450.557 2.304 30 10 JEEE C#Cc1ccc(NC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c2ccccc2C(F)(F)F)cc1 1648498983 ZSWDRUGESRKTDV-MRXNPFEDSA-N 453.442 2.238 30 10 JEEE Cc1cc(O)nc(N2CCC[C@H](NS(=O)(=O)c3cc(Br)ccc3C#N)C2)n1 1656930508 HCQWWZFENDPNJQ-AWEZNQCLSA-N 452.334 2.072 30 10 JEEE C#C[C@@H](NS(=O)(=O)c1cccc(C(=O)NCCOC)c1)c1ccc(Br)cc1 1664133288 KLNLYUIXPHFEGE-GOSISDBHSA-N 451.342 2.478 30 10 JEEE C=CCC1(O)CCN(S(=O)(=O)c2cc(S(=O)(=O)N(CC)CC)ccc2Cl)CC1 1664306286 QVSGBOXTYGUZGZ-UHFFFAOYSA-N 451.010 2.462 30 10 JEEE C=CCCC[C@@H](C)NC(=O)N1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)CC1 1680750959 UAQNHEJUIZAUMR-QGZVFWFLSA-N 457.618 2.159 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCS(=O)(=O)CC1CC1 1689866884 MJFAUWXVPCJDBO-NXHRZFHOSA-N 465.620 2.332 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@]1(O)CCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1689993732 KLBVVKIIEXAPQG-ZILOHOTNSA-N 456.612 2.241 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC[C@@H]1CCOC1 1690103307 BYEFBEGOMNQIJG-MOPGFXCFSA-N 463.579 2.099 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2CC2(COC)CCOCC2)CC1 1690113958 YVQGPWMHCXSTAO-UHFFFAOYSA-N 491.434 2.245 30 10 JEEE C=C(Cn1c(N(C)CC(=O)N2CCOCC2)nnc1[C@]1(OC(C)C)CCOC1)c1ccccc1 1690325835 JGDPXYJVJSPLPH-VWLOTQADSA-N 469.586 2.327 30 10 JEEE C=C(Cl)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCS(=O)(=O)CC 1690346442 TZSWRDRRRIRYTI-OAHLLOKOSA-N 478.015 2.210 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCOC2)n1C[C@H]1CCCN1S(C)(=O)=O 1690560586 WWWKTHQRXKVCSV-LEWJYISDSA-N 470.599 2.270 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1690675790 FJBUGKQGKWPBLK-XJKSGUPXSA-N 479.368 2.181 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCC2(O)CCC2)C1 1690688521 WWQTXLAADPOEDX-IBGZPJMESA-N 475.615 2.282 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1690718826 ANGCNEGNHYHQNC-JKSUJKDBSA-N 452.920 2.313 30 10 JEEE CC(C)(O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1691359139 HLYHROWXABVSDK-INIZCTEOSA-N 480.491 2.395 30 10 JEEE CC(C)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)CCS1 1691980753 AHSYLGXLCCQAJC-IBGZPJMESA-N 460.629 2.430 30 10 JEEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CCC1=CCCCC1)[C@@H]1CCS(=O)(=O)C1 1705560506 HSKVIOBRPPRRHM-NFBKMPQASA-N 462.616 2.447 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1Cc1c(Cl)cccc1OC)[C@H]1CCS(=O)(=O)C1 1705565110 FZPFNVHCHQYBMS-HNNXBMFYSA-N 472.958 2.072 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC[C@@H](C)N(C)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1705567351 XBVQTHLOXPLPAG-NFBKMPQASA-N 495.653 2.216 30 10 JEEE C#CCN1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2C[C@H](CC(C)C)N(C)C)CC1 1705638861 ZMRGHJFUCJARBY-IBGZPJMESA-N 462.602 2.325 30 10 JEEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCC(CC(=O)N2CCN(CC)CC2)CC1 1705660122 NIMHYVHCEFAOJW-JOCHJYFZSA-N 488.702 2.309 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1CCCN(c2ccccc2)C1 1705725637 LQBIFTPDJCJEDL-LEWJYISDSA-N 474.631 2.292 30 10 JEEE C=CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCCS(=O)(=O)C1)C1CC1 1705850294 OJKJDQDSIYMNRZ-MRXNPFEDSA-N 464.613 2.328 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@@H](c2ccco2)C1 1705894847 MWYKLYGFXNAQRM-LJQANCHMSA-N 484.944 2.335 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCS[C@H](C)[C@H]1C 1705894931 OIUJULSBPMBTIS-HUUCEWRRSA-N 463.007 2.494 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1705933348 CXXAAXMRQIBBLM-OXQOHEQNSA-N 498.024 2.495 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(=O)NCC(F)F 1706074828 FQEXKLKGUMIENG-LSDHHAIUSA-N 469.537 2.370 30 10 JEEE CC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(CC)CC)CC1)OC 1708776826 IEMSQPMGZBOTOM-NRFANRHFSA-N 453.591 2.232 30 10 JEEE CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCN1CCN(C)C(C)(C)C1 1710856885 GPZKCIIACXXXNK-IBGZPJMESA-N 487.674 2.102 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc2c(c1)C(=O)NCC2 1722294432 HAECNNOJJFKNIC-UWJYYQICSA-N 494.596 2.379 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2Cc2ccc(OC)nc2OC)c1 1722308505 BPKVVMLNPWTRJK-LJQANCHMSA-N 476.537 2.299 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccccc1C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1722360706 IWUPYWOKQIROLH-QGZVFWFLSA-N 478.500 2.372 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CCCn1cccn1)[C@@H]1CCS(=O)(=O)C1 1722367762 XLNKSDLUTBORNF-QGZVFWFLSA-N 474.537 2.061 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cc(Cl)ccc2OC)CC1 1722432403 XDTGWMYLPGCSBW-UHFFFAOYSA-N 465.945 2.391 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCC2(O)CCC2)CC1 1722442893 GUPJTHUJXLCHSL-UHFFFAOYSA-N 467.570 2.233 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1 1722493681 KQBOAZLMSAQMDX-RBBKRZOGSA-N 450.543 2.093 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC(OCC(N)=O)CC1 1722496525 XTDZQNOVRZVXTF-HXOBKFHXSA-N 485.585 2.414 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCC(C(=O)NC)CC2)nnc1[C@]1(OC(C)C)CCOC1 1722498773 DSBWNLATVSAHJW-SKPFHBQLSA-N 461.607 2.262 30 10 JEEE C=C(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1722523108 ANJWVZDZIBYNGV-HXUWFJFHSA-N 481.649 2.065 30 10 JEEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1722542474 BMLPWGYRWDWTSC-SNVBAGLBSA-N 465.889 2.012 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc(-c2cccnc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1722673084 IEKUSLGLNRGPME-QHCPKHFHSA-N 453.568 2.125 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1722695533 GTFLTAOEPBXKIX-JOCHJYFZSA-N 455.950 2.386 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1722749124 DKJDLQJKDUYPTD-UHFFFAOYSA-N 482.628 2.385 30 10 JEEE CC[C@H](C)NC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1727102955 DDJVAIUTRMOPGZ-CEYNDMKZSA-N 482.585 2.418 30 10 JEEE COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cc(COC(C)(C)C)on2)CC1 1730417905 DBTPLVJQYJYVDY-UHFFFAOYSA-N 493.568 2.463 30 10 JEEE COCC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(NS(C)(=O)=O)CC2)CCC1 1730519053 DPGOSVAYCMYQHC-UHFFFAOYSA-N 488.614 2.063 30 10 JEEE C#CCCCCn1c(-c2cccn2C)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1740569239 FXDDHIAXNRJYEJ-UHFFFAOYSA-N 473.628 2.363 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](Nc2ccccc2)C1 1740591374 OQFVXVAWGRPZFS-LEWJYISDSA-N 472.615 2.105 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](Nc2ccccc2)C1 1740591377 OQFVXVAWGRPZFS-SFTDATJTSA-N 472.615 2.105 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1Cc1ccn(C)n1)[C@H]1CCS(=O)(=O)C1 1740617286 PAPFYHOQFROSTL-APWZRJJASA-N 489.001 2.480 30 10 JEEE C#CCN(c1nnc(C(C)C)n1CCCN1CCc2ccccc2C1)[C@@H]1CCS(=O)(=O)C1 1740617498 SEUPRXHBBLWEFF-JOCHJYFZSA-N 455.628 2.477 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCCCC1(F)F)[C@H]1CCS(=O)(=O)C1 1740618716 KBHLXTUBPNPZPP-WFXMLNOXSA-N 486.585 2.382 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CCC1(O)CCC1)[C@H]1CCS(=O)(=O)C1 1740629047 ZDMNQXFOQRGDHX-IBGZPJMESA-N 458.584 2.097 30 10 JEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(Oc2cc(C)ccn2)CC1 1740709251 LBQHBJUGLRSGIF-KRWDZBQOSA-N 478.644 2.006 30 10 JEEE C=C(C)CN(CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@H]1CCS(=O)(=O)C1 1740775768 FHLBLVOXSWFVHK-QFIPXVFZSA-N 486.686 2.480 30 10 JEEE C=C(Cl)Cn1c([C@H]2CCCO2)nnc1N1CCN(S(=O)(=O)N(CCC)CCC)CC1 1740816715 LFOWCFLKYHEDBU-QGZVFWFLSA-N 461.032 2.371 30 10 JEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1coc(-c2ccc(C)cc2)n1 1740900836 ZPPLYDCKDBTYIW-HXUWFJFHSA-N 486.598 2.439 30 10 JEEE C=CCN(C)c1nnc(Cc2cn3ccccc3n2)n1CC1(NC(=O)OC(C)(C)C)COC1 1740902638 UGBQXIVRQUSBLS-UHFFFAOYSA-N 453.547 2.433 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC[C@H](Oc2ncccc2F)C1 1740962185 VMXUFWRKBUGOER-SFHVURJKSA-N 451.506 2.148 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN(C(=O)c2c(F)cccc2F)CC1 1740962397 CAPKLLZMPCGNSU-UHFFFAOYSA-N 486.548 2.473 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC=C(C(F)(F)F)CC1 1740988997 WSETUERAAMVFFJ-UHFFFAOYSA-N 494.503 2.220 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](C[C@@H]2CCOC2)C1 1740991931 IREOQTFYTFPHQB-HSALFYBXSA-N 452.621 2.416 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCN(Cc3c(CC)nn(C)c3Cl)CC2)nnc1C(C)(C)C 1740995288 HALFEDGNTGCBID-UHFFFAOYSA-N 498.097 2.448 30 10 JEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CC1(CCOCC)CCCC1)[C@H]1CCS(=O)(=O)C1 1748801506 BGSGOBCODKOYSY-FQEVSTJZSA-N 491.658 2.128 30 10 JEEE C#CCN(c1nnc(C2CCCC2)n1CCCOC[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1748814257 BXBINDUNJANLDT-AZUAARDMSA-N 450.605 2.006 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(OC3CCCC3)nc2)CC1 1749001486 TULXDNXETSBSTP-UHFFFAOYSA-N 493.612 2.147 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(C)nc3ccccc23)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1749652796 SXLHTPSNDHHATC-IRXDYDNUSA-N 470.599 2.362 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC[C@H](n2cncn2)C1 1749661077 XIUFGLWLFCEGTB-SFHVURJKSA-N 466.546 2.088 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCN(CC)C(=O)OC(C)(C)C)C1 1749694271 QLUGIFZESOZXBU-KRWDZBQOSA-N 450.584 2.455 30 10 JEEE CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCOC[C@H]2CCCO2)[C@H](C)C1 1749850686 DHDWHFVESYCNCU-XMSQKQJNSA-N 452.559 2.459 30 10 JEEE CC(C)OC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCS(=O)(=O)C2)CCO1 1751036676 BNESNOPPAYWGEU-PZJWPPBQSA-N 473.599 2.272 30 10 JEEE C[C@H](CN(C)c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)N(C)C)c1nccs1 1751117951 CQOAFAVNAIUSQM-OAHLLOKOSA-N 459.601 2.405 30 10 JEEE C[C@]1(C#N)CCCN(c2nnc(CN3CCCC3=O)n2CCOc2ccc(S(C)(=O)=O)cc2)C1 1751275955 ANRPWYUNAGMZSH-HSZRJFAPSA-N 486.598 2.013 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@@H](C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1760180415 FBHCQJUBRHSGNR-ZYKOEDHHSA-N 472.611 2.361 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1Cc1csc(COC)n1)[C@H]1CCS(=O)(=O)C1 1760183682 QNMQLQOVZOYWPD-IBGZPJMESA-N 482.591 2.095 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@@]1(O)CCc2ccccc21)[C@@H]1CCS(=O)(=O)C1 1760185729 CCSAYPKCQRMVPD-DVECYGJZSA-N 456.612 2.327 30 10 JEEE C#CCN(CCOC)c1nnc(COc2ccc(C)c(C)c2)n1CC1CCS(=O)(=O)CC1 1760252003 AAWPGZHEBJKKOB-UHFFFAOYSA-N 460.600 2.385 30 10 JEEE C=C(C)Cn1c(N2CCN(C(=O)COc3ccc(F)cc3)CC2)nnc1[C@]1(OCC)CCOC1 1760349608 SBTCHNLSUMKTNH-DEOSSOPVSA-N 473.549 2.373 30 10 JEEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2c(F)cccc2F)CC1 1760449621 OXVSALVKZIIFTI-SFHVURJKSA-N 474.512 2.063 30 10 JEEE C=CCn1c(Cc2ccccc2OC)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1760511234 REEGURLWZAKRCE-KNQAVFIVSA-N 452.603 2.442 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCCN(c2cc(OC)cc(OC)c2)CC1 1760524228 SJAFUFPHAPVDSF-LJQANCHMSA-N 484.601 2.208 30 10 JEEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 1760562262 CPLOIFLKXHRQFJ-IBGZPJMESA-N 479.676 2.429 30 10 JEEE CC(C)OCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCOC(C)(C)C2)CC1 1761323305 FGNBAZPSNBGFKO-UHFFFAOYSA-N 481.645 2.475 30 10 JEEE CCC(CC)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C(N)=O)C1)N1CCOCC1 1762158305 IAGSGLHVGNAZTQ-YADHBBJMSA-N 465.602 2.265 30 10 JEEE CN1CCC2(CCN(c3nnc(COc4ccc(C#N)cc4)n3CCC(C)(C)O)CC2)C1=O 1767514821 FFHALWIFMCPWCU-UHFFFAOYSA-N 452.559 2.338 30 10 JEEE CC[C@H](C)[C@H](NC(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2cccc(C#N)c2)cc1)C(=O)O 1858977737 RUYFNHBYKFIFJW-YWZLYKJASA-N 486.550 2.018 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@H]2c2ccccc2C(=O)O)cc1F 1862639880 JFUCUGRJZDWIMU-IBGZPJMESA-N 456.426 2.247 30 10 JEEE N#C[C@H](c1cccs1)N1CCC(C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N2CCC(O)CC2)CC1 1868782986 NRUCWMYLVREBPT-DHIUTWEWSA-N 496.633 2.441 30 10 JEEE COc1cc(C(=O)NCC(=O)Nc2c(C#N)nnn2-c2cccc(C)c2C)cc(OC)c1OC 1870140539 XCHJFTVOIZFZQH-UHFFFAOYSA-N 464.482 2.150 30 10 JEEE C=CCn1cc(OCC(=O)NC[C@@H]2CCCO2)c(=O)cc1CN(CC)CCc1ccncc1 1870542010 LTXFGBWMQLXBHU-QFIPXVFZSA-N 454.571 2.168 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCc2ccccc2OC)cn1C[C@H](C)O 1870641749 PWKNRMORCIRFDK-IBGZPJMESA-N 455.555 2.107 30 10 JEEE C=CCn1c(C(=O)NC[C@H](O)c2ccc(Cl)cc2)cc2c(N3CCN(C)CC3)ncnc21 1873595198 SGFSZTOHUGIKFA-FQEVSTJZSA-N 454.962 2.486 30 10 JEEE COc1cccc(CCc2nnc(SCC(N)=O)n2/N=C/c2ccc(O)c([N+](=O)[O-])c2)c1 1874309302 OVZJFLXKHXYCLD-SSDVNMTOSA-N 456.484 2.145 30 10 JEEE CC(C)N1C[C@@H](c2nnc(SCC(=O)Nc3nccs3)n2/N=C/c2ccncc2)CC1=O 1874337577 JACDKBYDQFVJNX-MQEPLNOPSA-N 470.584 2.467 30 10 JEEE COc1ccc(/C=N/n2c(CNC(C)=O)nnc2SCC(=O)NC2CCCCC2)cc1OC 1874433958 GLYGBJHQCGJLDF-WYMPLXKRSA-N 474.587 2.355 30 10 JEEE CCOc1cc(/C=N/n2c(CCOC)nnc2SCCO)ccc1OCC(=O)N(CC)CC 1874474807 UHEHGEBRIOWXCP-HZHRSRAPSA-N 479.603 2.080 30 10 JEEE CCCOC(=O)CSc1nnc(COC)n1/N=C/c1cc2c(cc1[N+](=O)[O-])OCCO2 1874505114 BCYRCIBQSKFVIV-DJKKODMXSA-N 451.461 2.031 30 10 JEEE C=CCn1c(C(=O)N2CCC(C(N)=O)CC2)cc2c(NCCCCN(CC)CC)ncnc21 1875230535 DSDUCFRWJRCRID-UHFFFAOYSA-N 455.607 2.489 30 10 JEEE CCN1CCN(CC#CCOC2CCN(S(=O)(=O)c3ccccc3Br)CC2)CC1 1889659544 MCNIYRZMSWBOMN-UHFFFAOYSA-N 484.460 2.260 30 10 JEEE Cc1ccc(C(=O)NC[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 1963043474 LWBLXQSNLDPQKR-XMMPIXPASA-N 460.380 2.396 30 10 JEEE CC1(NC(=O)OC(C)(C)C)CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2247953506 URXPUQZARCXLJX-UHFFFAOYSA-N 458.411 2.335 30 10 JEEE CC1(C)OB(c2nscc2C(=O)N[C@@H]2COCCN(C(=O)OCc3ccccc3)C2)OC1(C)C 2255635004 DARLYCQGPLGMIB-KRWDZBQOSA-N 487.387 2.210 30 10 JEEE CC(C)(C)OC(=O)N1CC(CCO)(NC(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2255707882 CFDZYGLJVMJJNW-UHFFFAOYSA-N 452.382 2.149 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)NCc2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2256615607 VPHCVWLBSSTKGK-OAHLLOKOSA-N 452.382 2.299 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CC(F)(F)C1 2267143141 DFKSZWBNOJDSIB-UHFFFAOYSA-N 456.299 2.037 30 10 JEEE CN(C[C@@H]1COCCN1C(=O)OC(C)(C)C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2267157804 BJYMDJDJHWAQLA-CQSZACIVSA-N 467.397 2.150 30 10 JEEE CC1(C)OB(c2scnc2C(=O)NCC2(O)CCN(Cc3ccccc3)CC2)OC1(C)C 2267172676 CLFPZDDUHKPWTO-UHFFFAOYSA-N 457.405 2.199 30 10 JEEE CN(C[C@H]1CN(C(=O)c2occc2B2OC(C)(C)C(C)(C)O2)CCO1)C(=O)OC(C)(C)C 2267181645 VGQZGEHIQWANEZ-HNNXBMFYSA-N 450.341 2.287 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@](O)(CNC(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)C1 2267190891 UYVVTFXQMODQGZ-QFIPXVFZSA-N 450.341 2.071 30 10 JEEE CC(C)(C)OC(=O)N1CC=C[C@@H]1CNS(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2267703126 QTIJQOVQDGICEU-QGZVFWFLSA-N 464.393 2.440 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](C(=O)NCc2ccc(B3OC(C)(C)C(C)(C)O3)s2)C[C@@H](O)C1 2268628016 BHKKAYLLEORMIW-LSDHHAIUSA-N 466.409 2.281 30 10 JEEE Cc1cc(CNC(=O)[C@H]2C[C@@H](O)CN2C(=O)OC(C)(C)C)sc1B1OC(C)(C)C(C)(C)O1 2268648911 FYVWXLAULHAHMD-GDBMZVCRSA-N 466.409 2.342 30 10 JEEE CC(C)(C)OC(=O)NC[C@]1(O)C[C@H](C(=O)NCc2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2268655442 LTSXULBTENGVBN-CAJLXGCNSA-N 466.409 2.329 30 10 JEEE C[C@@H](c1nscc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)[C@@H](CO)CNC(=O)OC(C)(C)C 2268717755 YWVPYJZKOJUECX-UONOGXRCSA-N 469.413 2.095 30 10 JEEE COc1ccc(CNC(=O)[C@@H](C)ONC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2278702128 ZWUBCEQLMMMDOJ-CQSZACIVSA-N 450.341 2.455 30 10 JEEE Cc1c(C(=O)N2CC3CC2(CNC(=O)OC(C)(C)C)C3)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281804041 GFEIGJMYEMNUDE-UHFFFAOYSA-N 460.384 2.157 30 10 JEEE CCc1nn(C)c(C(=O)NCC(F)(F)CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2281993037 VTYOXHMLBXYANE-UHFFFAOYSA-N 472.342 2.172 30 10 JEEE CCn1cc(C(=O)N[C@H]2C[C@@H](F)CN(C(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2282033336 SDZVOBSIHSVYLL-CABCVRRESA-N 466.363 2.280 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1O 2282136184 OPGIKBYXYPIMQI-RTBURBONSA-N 460.380 2.394 30 10 JEEE Cc1nc(S(=O)(=O)N(C)[C@@H]2CC[C@H]2OCc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)n1C 2282506135 NSGJZLCROUAYNM-RTBURBONSA-N 475.420 2.396 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@]23CCC[C@H]2CN(C(=O)OC(C)(C)C)C3)n1 2282551908 GSUNHFVZPHFHLT-NPMXOYFQSA-N 460.384 2.239 30 10 JEEE Cn1cc(C(=O)NC[C@@H]2C[C@H](NC(=O)OC(C)(C)C)C2(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2282584701 WIUCNSPCAMGJKW-HOCLYGCPSA-N 462.400 2.389 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCO[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2282593637 SZYGZPLHEAUCMW-GJZGRUSLSA-N 479.408 2.211 30 10 JEEE Cn1nc(C(=O)NC[C@]23CC[C@@H]2CN(Cc2ccccc2)C3)cc1B1OC(C)(C)C(C)(C)O1 2282612971 XMMKIJYMTGXPQR-CLOONOSVSA-N 450.392 2.361 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCCO[C@H]2[C@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)o1 2282631833 CATHOIMJZIGDPV-HNONPPJISA-N 462.352 2.379 30 10 JEEE C[C@@H](NC(=O)C1(CO)CN(C(=O)OC(C)(C)C)C1)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2283965138 VXUZZNCIXASVIB-MRXNPFEDSA-N 460.380 2.392 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](Cc1ncns1)C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2284039978 LYPUFIKZCIGFSN-LBPRGKRZSA-N 495.436 2.046 30 10 JEEE Cc1ccc(CNC(=O)[C@@H](CN(C)C)NC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2296184423 OZBXMUCRHYZPLP-LJQANCHMSA-N 461.412 2.365 30 10 JEEE CN1CCN(S(=O)(=O)c2cccc(C(=O)N3CCSC3=NCCc3ccccc3)c2)CC1 2297631166 RDAOXOHARHXUIE-UHFFFAOYSA-N 472.636 2.410 30 10 JEEE CCOC(=O)C1CCN(c2c(C=C3SC(=S)N(C)C3=O)c(C)c(C#N)c(=O)n2C)CC1 2314425766 WIANMGVTVFRXRP-UHFFFAOYSA-N 460.581 2.176 30 10 JEEE Cc1c(C=C2SC(=S)N(CC(=O)O)C2=O)c(N2C[C@@H](C)C[C@@H](C)C2)n(C)c(=O)c1C#N 2314457725 WHDYYQOGBHIBML-TXEJJXNPSA-N 460.581 2.334 30 10 JEEE CC(=O)NCc1nnc(SCC(=O)NCc2ccccc2)n1N=Cc1ccc([N+](=O)[O-])cc1 2330794299 RSLQGCVCUMVPHL-UHFFFAOYSA-N 467.511 2.113 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2C[C@@H](B3OC(C)(C)C(C)(C)O3)C2)[C@H](CC(N)=O)C1 2343356434 VUOSNAKJFWRHSA-OWCLPIDISA-N 451.373 2.182 30 10 JEEE Cn1cc(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 2359277735 PLWNNSBOYFSMII-JYJNAYRXSA-N 460.384 2.237 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H](C)C2)n1C 2362340549 OCNVTGOYIWUDTK-OAHLLOKOSA-N 462.400 2.357 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@]12CC[C@H]1CN(Cc1ccccc1)C2 2362347833 KJJAUTLQEGLNAA-UQBPGWFLSA-N 450.392 2.361 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1 2362358068 VMNJVFSRVXTZJH-CVEARBPZSA-N 460.384 2.191 30 10 JEEE CC(C)(C)OC(=O)NC1CCN(CCNC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)CC1 2362493030 GICOCLDXDCTRDS-UHFFFAOYSA-N 480.440 2.161 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@H]2C[C@@H](NC(=O)c3csnc3B3OC(C)(C)C(C)(C)O3)C[C@H]21 2368862253 AOZPDJKIMKKWCX-NUEKZKHPSA-N 479.408 2.339 30 10 JEEE Cc1c(C(=O)N[C@@]23CC[C@@H](C2)N(C(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)nn1C 2369667631 PWOGUORVUVKFDK-WNSKOXEYSA-N 460.384 2.300 30 10 JEEE COc1cc(/C=N/Nc2nc(SCC(=O)Nc3nnc(C)s3)n[nH]2)cc(OC)c1OC 20910003 NDJDAABGOVVNEC-CNHKJKLMSA-N 464.533 2.167 30 10 JEEE CCOc1cc(/C=N/Nc2nnc(SCC(=O)Nc3cccc(NC(C)=O)c3)n2N)ccc1O 21326375 NGZJNXUYZKZGDB-FOKLQQMPSA-N 484.542 2.231 30 10 JEEE C=CCn1c(SCC(=O)N2CCN(Cc3nnc(C)o3)CC2)nnc1-c1ccc([N+](=O)[O-])cc1 59792269 MSMZVXDTEXPSPV-UHFFFAOYSA-N 484.542 2.167 30 10 JEEE COCCn1cc(/C=N/Nc2nnc(SCC(=O)Nc3cc(Cl)cc(Cl)c3)n2N)cn1 59914165 QMKSPXAVXLIQNU-QPSGOUHRSA-N 484.373 2.318 30 10 JEEE CN(C)CCN1C(=O)C(=O)/C(=C(\O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccc([N+](=O)[O-])cc1 102705742 XTZIBCOYEGJUAT-LCPUNJGISA-N 453.451 2.349 30 10 JEEE CC(C)(O)[C@@H]1CC(=O)[C@]2(C)[C@H](CC[C@]3(C)[C@H](c4ccoc4)OC(=O)[C@@H]4O[C@@]432)[C@]12COC(=O)C[C@H]2O 257427069 GNNAZOFNKOMONV-OVSQOIOGSA-N 488.533 2.092 30 10 JEEE C=CCN(C(=O)c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1)c1nc(C(=O)OCC)cs1 409825435 BXVGMCUILURJLC-UHFFFAOYSA-N 495.579 2.182 30 10 JEEE C=CCNC(=O)CN1CCN(C(=O)C[C@H](NC(N)=O)c2cccc(Oc3ccccc3)c2)CC1 512713626 DVOCBTBKVLLTFY-QFIPXVFZSA-N 465.554 2.025 30 10 JEEE C=CCc1cc(CNC(=O)N2CCN(c3ccccc3S(=O)(=O)NC)CC2)cc(OC)c1OC 590166623 CAHHAIAANNTIMQ-UHFFFAOYSA-N 488.610 2.372 30 10 JEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(Cc3ccccc3)c2)c(=O)n1Cc1ccccc1 731233405 ZTPKLPFHIQUDQC-UHFFFAOYSA-N 481.581 2.008 30 10 JEEE COC(=O)c1ccc(C=NNc2nnc(SCCC(=O)Nc3ccc(OC)cc3)n2N)cc1 1083892481 LEWQTLGOSUTSSO-UHFFFAOYSA-N 469.527 2.354 30 10 JEEE C#Cc1cccc(NC(=O)CNS(=O)(=O)C[C@H]2CCN(C(=O)OCc3ccccc3)C2)c1 1185653608 DHBCDKZUMJGXPO-FQEVSTJZSA-N 455.536 2.185 30 10 JEEE N#Cc1cc(F)ccc1N1CCN(S(=O)(=O)[C@H]2CCCN(C(=O)c3ccccc3)C2)CC1 1193800137 IDIMUVLAUJCHOK-NRFANRHFSA-N 456.543 2.454 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1CCOc1ncccc1Cl)[C@@H]1CCS(=O)(=O)C1 1286383997 GBHFNDDYXSKOGG-OAHLLOKOSA-N 451.980 2.330 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1CC[C@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1286388341 NPJHDECBGZERLC-SJORKVTESA-N 482.965 2.170 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1286406265 SCJMVWJNPUPXMC-OAQYLSRUSA-N 451.538 2.390 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCNC(=O)c1ccco1 1286424124 ZETLRKSFVRCVEP-UHFFFAOYSA-N 493.593 2.033 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCOCCN(C)C 1286434032 CGOUMELTONGBOX-FQEVSTJZSA-N 458.607 2.391 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(F)cc2Br)n1C[C@@]1(O)CCOC1 1286462984 CUTJAAKFDLOCCF-IBGZPJMESA-N 453.312 2.084 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2Cc2ccc(C(N)=O)nc2)CC1 1286471239 HUXKIDFFYLQAKF-QGZVFWFLSA-N 479.972 2.369 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2C[C@H](c2cccc(OC)c2)N(C)C)CC1 1286481975 LLMAGRYDYZQXOQ-XMMPIXPASA-N 459.598 2.331 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)OCCOC)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1286518377 FKVYGXTZXJAOLB-AXHZCLLHSA-N 468.606 2.495 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1286552580 QWGNKVDZSALVFV-VDZJLULYSA-N 481.022 2.445 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)[C@H](C)CS(C)(=O)=O 1286557987 ZFVRZWBSGSCHKH-GUXCAODWSA-N 486.598 2.444 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1286558881 RRSONCRXOZOQCR-XXBNENTESA-N 488.658 2.495 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCc2sccc2C1 1286582576 ZVYRGOQLNFTGID-LJQANCHMSA-N 494.687 2.133 30 10 JEEE C=C(C)COCCn1c(Cc2ccccc2OC)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1286609844 RYBQDQBXIDYGIE-NRFANRHFSA-N 489.642 2.475 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1286816235 DFAHIYOICVKHGA-HKUYNNGSSA-N 488.589 2.335 30 10 JEEE CC(C)(C)c1ccc(OCc2nnc(N3CC[C@](F)(C#N)C3)n2CC(=O)N2CCOCC2)cc1 1286987980 BESWCZMDVIZRLG-DEOSSOPVSA-N 470.549 2.455 30 10 JEEE CC1CCN([C@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(OCC(N)=O)CC2)CC1 1291143937 GEVRCOCFAJDDKW-HXUWFJFHSA-N 495.628 2.320 30 10 JEEE CCCn1nc(-c2nnc(N(C)C[C@@H](C)C#N)n2CCN2CCOC[C@H]2C)c2ccccc2c1=O 1294763523 DPGBZRDEXPOVJI-RBUKOAKNSA-N 478.601 2.382 30 10 JEEE CCO[C@]1(c2nnc(N3CCN(c4ccc(C#N)cn4)CC3)n2CCN(C)[C@H](C)CC)CCOC1 1296648692 CJCXMPNPLGRDOQ-CJFMBICVSA-N 482.633 2.254 30 10 JEEE C#CCCCn1c(COc2ccccc2OCC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1300423302 LIGDUNSLRNEMOK-GOSISDBHSA-N 466.542 2.142 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCCN1C(=O)OC(C)(C)C 1300506788 YZHDGIOYORIXNE-GOSISDBHSA-N 463.542 2.398 30 10 JEEE C=C(Br)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@H](C(=O)NC)C1 1300843700 DTSOAPIYJUTVSX-AWEZNQCLSA-N 496.435 2.109 30 10 JEEE COCc1ccc(Cn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@H](C#N)C2)cc1 1301163325 DKEGBRUMFCVIJG-GOSISDBHSA-N 452.540 2.193 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1301506401 KVXHWITVWSDYQL-UHFFFAOYSA-N 483.636 2.305 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)[C@H](C)CC(N)=O 1301576525 WJOJGOWKQILMSJ-LSDHHAIUSA-N 465.645 2.432 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCC(NC(=O)CCC)CC1 1301589828 YCMDWLCEVKHDFG-GOSISDBHSA-N 453.609 2.006 30 10 JEEE CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)NC1CCN(c2ccccc2C#N)CC1 1302059490 DUVNQFHNZVXIHE-NRFANRHFSA-N 457.575 2.309 30 10 JEEE CC(C)(C)NC(=O)CCn1c(-c2cnccn2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1302211480 AHPRTMVSVCNTHI-UHFFFAOYSA-N 477.548 2.377 30 10 JEEE C[C@@H]1CCC[C@@](Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCNS(C)(=O)=O)(N(C)C)C1 1304983041 IFOBDOBUXZHSET-WZONZLPQSA-N 473.647 2.313 30 10 JEEE CCCN(CC)CCn1c([C@H]2CCCCO2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1306803546 CVYSNRHCUBWOGT-OAQYLSRUSA-N 469.638 2.492 30 10 JEEE CCCOc1ncccc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1313517560 GXSBUIGKCWLTJB-QFIPXVFZSA-N 475.553 2.390 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@](C)(O)CCOC 1358885199 FNJZSRMCHQJNFS-MZNJEOGPSA-N 452.559 2.481 30 10 JEEE C#CCCCn1c(N2CC[C@@H](S(C)(=O)=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1358935581 NKZXKBOQQJGCGR-IXDOHACOSA-N 451.593 2.086 30 10 JEEE C#CCN(c1nnc([C@@H](C)OCCOC)n1Cc1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 1358956771 KMTDSPFCDYBNIS-VQIMIIECSA-N 466.991 2.331 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC[S@@](=O)CC)[C@@H]1CCS(=O)(=O)C1 1358957627 XNLNMQPSAHTOTI-MCGGYZEXSA-N 499.058 2.467 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CC1(C)C)[C@H]1CCS(=O)(=O)C1 1358966358 NIEUHLGIHBQJNB-MOPGFXCFSA-N 453.568 2.402 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCOC[C@H]1C 1358987913 XBYUCOISBSETOQ-TZIWHRDSSA-N 469.611 2.331 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccccc3Br)n2CC2(S(C)(=O)=O)CCC2)CC1 1359032974 LACMUIYJMSXMQU-UHFFFAOYSA-N 492.443 2.430 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1359101380 NOYYTLAOPSXWIP-KNQAVFIVSA-N 474.631 2.105 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1359133375 QWZOGCHHEBCFCT-IBGZPJMESA-N 488.589 2.110 30 10 JEEE C=CCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1359286460 RZLBWRXUMSQCKK-QGZVFWFLSA-N 485.614 2.017 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@H](C)C2)cc1 1359308762 XZHCWLGKYPHVKV-RXVVDRJESA-N 475.615 2.460 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(C(C)(C)C)CC1 1359333857 MMCSNUWMMISAFW-UHFFFAOYSA-N 471.631 2.038 30 10 JEEE CN(CCCC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)S(=O)(=O)c1ccc(F)cc1 1456272633 DVPDCIPIIOXDJL-NRFANRHFSA-N 458.559 2.463 30 10 JEEE COc1cc(Cl)ccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1CCCS(=O)(=O)C1 1504109172 HOJYQPKRTXRZGN-HOCLYGCPSA-N 465.963 2.161 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1CC1(O)CCCCC1)[C@H]1CCS(=O)(=O)C1 1507632898 BLOKWYWLPGEWGP-IBGZPJMESA-N 460.575 2.330 30 10 JEEE C#CCN(CC#C)c1nnc(COc2cc(C)ccc2C)n1CCN/C(O)=C1/N=CC=CC1=O 1507654434 FYWCRFCWEBIGLM-VHXPQNKSSA-N 458.522 2.073 30 10 JEEE C#CCN(CC#CC)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@]1(O)CCS(=O)(=O)C1 1507677401 ZEXPKTAVLNSXDL-OAQYLSRUSA-N 497.404 2.176 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1ccc(C(N)=O)nc1 1507713218 ZYCLCLRRCYTGEY-IBGZPJMESA-N 497.600 2.021 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@]2(N(C)C)CCC[C@H](C)C2)CC1 1507719308 MVZQEFFQSMNZHG-TUSQITKMSA-N 458.651 2.196 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@](O)(c2ccccc2)C(F)(F)F)CC1 1507731447 IXFVMHRLZYWFJH-GCJKJVERSA-N 463.504 2.377 30 10 JEEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC=C(c2ccccc2)C1 1507750704 CBYCCAMKNNDEIN-OAQYLSRUSA-N 487.651 2.271 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Br)n1CCS(=O)(=O)NC 1507766186 KRBGQCKCONTRMX-GOSISDBHSA-N 452.378 2.249 30 10 JEEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2c(F)cc(F)cc2C1 1507844403 JJQIGFGTBTZUGW-HXUWFJFHSA-N 497.568 2.045 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1508079088 NQFAIQDIFIFLIY-ZIAGYGMSSA-N 484.420 2.268 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CCO[C@H](c2noc(C)n2)C1 1508093584 IYKFOQOILJYILL-SFHVURJKSA-N 469.571 2.450 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](SC)C(C)(C)C)C1 1508122540 FQMAQJGGCYHKIL-FGTMMUONSA-N 487.692 2.170 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 1508143306 XWLYUNDGPDTWFM-SFHVURJKSA-N 493.605 2.247 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1508144773 UKFAJXHAEZSFLB-UHFFFAOYSA-N 480.660 2.115 30 10 JEEE Cc1nccn1CCn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1511620053 ASFDXSSLBAPSCU-IAGOWNOFSA-N 471.587 2.192 30 10 JEEE CCS(=O)(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN(C)CC(F)(F)F)CC1 1516829987 BLGBRHYQVONAAE-UHFFFAOYSA-N 499.563 2.219 30 10 JEEE CN(C)S(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1517022775 IFTMVPXKJLIQIC-UHFFFAOYSA-N 475.594 2.164 30 10 JEEE CO[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1)C(C)(C)C 1517860998 APNDGRMZBOQSFV-HKUYNNGSSA-N 461.588 2.413 30 10 JEEE COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCC2CCOCC2)CC1 1518650487 DYBNDGLCYVBFSR-UHFFFAOYSA-N 452.559 2.319 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccn(C)n2)c1 1539040134 NFMYQZYHXSZYPD-RUZDIDTESA-N 477.569 2.157 30 10 JEEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1539097349 KDVTWQYUCHYVGR-QHCPKHFHSA-N 455.515 2.415 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCC1(COC)CCCC1)[C@H]1CCS(=O)(=O)C1 1539223121 ZECXKFAHOJVKQA-MOPGFXCFSA-N 450.605 2.006 30 10 JEEE C#CCN(c1nnc(COCC)n1CC[C@H]1CCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1539231709 VNDRWWFYSDFABZ-RTBURBONSA-N 495.646 2.088 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(NC(=O)CCC)cc1 1539266091 LUTRPAMJWWATBZ-LJQANCHMSA-N 453.568 2.040 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)cc1O[C@H]1CCOC1 1539370276 TWIHQMUCGIOLEK-UXHICEINSA-N 458.584 2.164 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1cccc(C(N)=O)c1 1539370417 BXZFEFSHINDPAT-FQEVSTJZSA-N 482.585 2.388 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](NC(C)=O)C1 1539618880 BOKBCWRQWXKWSM-URVUXULASA-N 487.626 2.435 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)CC 1539631502 LLZUWFLVBOBAGO-RDGPPVDQSA-N 455.625 2.075 30 10 JEEE C=CCCOCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1540036388 MRKKLNVBUQHYFX-IBGZPJMESA-N 468.606 2.102 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cnn(-c2ccccc2)c1 1540201208 QLNLPYDVEXMFQV-LJQANCHMSA-N 456.572 2.053 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCc2ccn(C)n2)C1 1540892814 ROCFRYSFDGZAHS-VQTJNVASSA-N 487.605 2.344 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2C[C@@H](C)[C@@H](F)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1540909061 WJNQXLBLRSNBAQ-NCOADZHNSA-N 471.599 2.444 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1Cc1c(F)cccc1N1CCCC1 1541907811 FMDWAEAWZWHYSU-CVEARBPZSA-N 463.583 2.414 30 10 JEEE CCCCN1CCCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)C1 1547043130 DDLSMFMTGZZMDA-HXUWFJFHSA-N 451.575 2.320 30 10 JEEE CNC(=O)[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CCN1C(=O)c1ccc(OC)nc1OC 1548369118 AARVFBLQWJLBPT-KRWDZBQOSA-N 477.443 2.066 30 10 JEEE CNC(=O)C(C)(C)Cn1c(Cc2ccccc2F)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1554375278 FIZCWGPYLJHOGW-QGZVFWFLSA-N 491.575 2.157 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1CC(=O)N1CCOCC1 1587579017 BTZBWQJDDQGVIZ-AWEZNQCLSA-N 462.348 2.033 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCCN(C)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1588055605 YGPDBKBYYYLDSQ-RTBURBONSA-N 495.646 2.403 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC(C)(C)OC)[C@H]1CCS(=O)(=O)C1 1588074996 VJALJPQUPFGGAF-ROUUACIJSA-N 495.646 2.402 30 10 JEEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1CCNC(=O)c1ccccc1F 1588251819 XYYBRFRDBOWCAF-UHFFFAOYSA-N 478.553 2.302 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC2(S(C)(=O)=O)CCCC2)CC1 1588733763 ZRNDNZPRGFGGPV-UHFFFAOYSA-N 498.653 2.260 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CC[S@](=O)C(C)(C)C)CC1 1588907276 AKMGSYAHRXLARP-DHUJRADRSA-N 499.637 2.229 30 10 JEEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC2(CC1)CNC(=O)C2 1589110087 PLCOQFWMMLHPJG-UHFFFAOYSA-N 450.568 2.202 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 1593747251 SPKDDCJIBAVMIP-MSOLQXFVSA-N 483.635 2.266 30 10 JEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCOc2ccc3c(c2)OCO3)CC1 1594194022 UXSPVFGMZRUNBF-OAHLLOKOSA-N 463.560 2.098 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCC(F)(F)F)CC1 1594241205 JDONWYOMPMJHPG-HNNXBMFYSA-N 451.515 2.356 30 10 JEEE C=CCN(c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCn1ccnn1)C1CC1 1595058883 WPFFBBBURPXBIZ-SFHVURJKSA-N 458.567 2.423 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCCCC1 1595161998 SEGJCWRGYTWOOA-HXUWFJFHSA-N 494.687 2.351 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(C)nc3ccccc23)nnc1N(C)[C@H](C)CS(=O)(=O)CC 1595490621 UWKWUWGCUZSPFC-QGZVFWFLSA-N 470.599 2.363 30 10 JEEE C=CCOc1ccc(Cn2c(-c3cnn(C)c3)nnc2N2CCN(CCOC)[C@@H](C)C2)cc1 1595613825 IQTROLRJLBIIFV-IBGZPJMESA-N 451.575 2.449 30 10 JEEE CC(C)(C)OC(=O)N1CCC2(CC1)c1[nH]cnc1CCN2CC(=O)N(CCC#N)CCC#N 1619362206 FLKNGMNPACLORJ-UHFFFAOYSA-N 455.563 2.150 30 10 JEEE COCCN(CCC#N)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@]1(O)CCC[C@H]1C 1619910248 BHIOBMIQPVUDSY-VGOFRKELSA-N 461.588 2.266 30 10 JEEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)c2cccs2)C[C@@H]1C 1619938956 IBAZPYUWYJCFDS-SFHVURJKSA-N 479.610 2.465 30 10 JEEE C=CCn1c(S)nc2cc(C(=O)N3Cc4cc(C(=O)OCC)nn4C[C@@H]3C)ccc2c1=O 1641873301 NSMLGUHXGQJUPX-ZDUSSCGKSA-N 453.524 2.289 30 10 JEEE C#CCOc1ccc(C(=O)N2CC[C@@H](N3C(=O)O[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]43)C2)cc1 1644239733 KAFBWXDIQZUUIT-RLLQIKCJSA-N 455.511 2.353 30 10 JEEE COc1cc(NC(=O)CNS(=O)(=O)c2ccc(C#N)c(Br)c2)cc(OC)c1 1654445092 DATYPTKYRVUVEB-UHFFFAOYSA-N 454.302 2.255 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccccc1-n1ccnc1)[C@@H]1CCS(=O)(=O)C1 1689979999 KCUFZXWCZJPZPX-LJQANCHMSA-N 452.584 2.436 30 10 JEEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(C)(C)N1CCOCC1 1690046531 DAWJSMZUPPFUME-UHFFFAOYSA-N 476.629 2.026 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCn1c(C)nc2ccccc21 1690047737 XTZSTFBHGTWEDF-LJQANCHMSA-N 450.568 2.001 30 10 JEEE C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1690273366 SUHLNSIJYPMZQA-INIZCTEOSA-N 457.535 2.231 30 10 JEEE C=CCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1690511306 WYLVCEMHGBFOCD-HSZRJFAPSA-N 452.515 2.352 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1690672755 CBKPGOYLIRQPAY-RHSMWYFYSA-N 453.465 2.336 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1690672764 CFPIKQSCLSOUCK-LJQANCHMSA-N 456.566 2.299 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1690676173 RUCREKIYZCZWJJ-LJQANCHMSA-N 468.537 2.348 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1690717617 LCPBTDFOOJLNSU-AWEZNQCLSA-N 461.009 2.069 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCN(c2ccccn2)CC1 1690725654 XNBHIWQZAQWGRY-UHFFFAOYSA-N 488.564 2.470 30 10 JEEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 1690733515 GUASYTFYCJFGKG-JENIJYKNSA-N 468.693 2.261 30 10 JEEE CCc1cnc(CN(C)c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCS(=O)(=O)C2)s1 1694562111 FXGAYCZMWDGYJI-OAQYLSRUSA-N 472.596 2.022 30 10 JEEE COCCn1c(COc2ccccc2F)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1698069693 DFEGVOBADOQOLR-MRXNPFEDSA-N 452.494 2.019 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1nccc(C(F)F)n1 1705481215 BKJKXUFIJYZIPC-AWEZNQCLSA-N 475.525 2.429 30 10 JEEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1705523466 YNEBOZLXSYPALN-KAMZKSLDSA-N 486.661 2.185 30 10 JEEE C#CCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1705537121 VJNYSOUVSQCPQG-DEOSSOPVSA-N 498.697 2.460 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CC[C@@](C)(CC)O1 1705624241 VCXDZIZDZGLPHI-NZQKXSOJSA-N 450.547 2.355 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCc2ccccc2OCC)CC1 1705644308 LUYWSRJTIFBPAR-UHFFFAOYSA-N 466.586 2.024 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CC2(N3CCOCC3)CCCCC2)CC1 1705647414 DJKAQTVXXFCPLN-UHFFFAOYSA-N 470.662 2.478 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](c2ccc(CC)cc2)N(C)C)CC1 1705648052 PSTDLSBODUJAMY-XZOQPEGZSA-N 491.640 2.060 30 10 JEEE C#CCSCCn1c(CC2CCCC2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1705664092 VKVXBJQFWOYBGO-IBGZPJMESA-N 451.662 2.382 30 10 JEEE C=C(Br)Cn1c(-c2noc3c2COCC3)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1705685225 RQZWEPXGVVFKEE-NWDGAFQWSA-N 474.381 2.172 30 10 JEEE C=C(Cl)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1705745625 FKCIDCBHNUQDKX-OAHLLOKOSA-N 472.937 2.247 30 10 JEEE C=CCNC(=O)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1C[C@@H](C)[C@H](C)C1 1705907349 JOQJXERQXCTYIS-NHCUHLMSSA-N 451.619 2.037 30 10 JEEE CC(C)N(C)C(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1706544458 BDORWTJHYHXRAI-LJQANCHMSA-N 484.626 2.335 30 10 JEEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccnc(OCC(F)(F)F)c1 1706746689 DGBJGCMEQKGEHD-UKRRQHHQSA-N 472.493 2.303 30 10 JEEE CCc1nnc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(N(C)S(C)(=O)=O)CC2)s1 1709018322 DTADLBLTCKXRNH-UHFFFAOYSA-N 486.627 2.139 30 10 JEEE COc1ccc(C[C@H](C)Cn2c(-c3cnn(C)c3)nnc2N2CCO[C@H](C#N)C2)cc1OC 1711788756 CUJVPQNVJQYLSG-QFBILLFUSA-N 451.531 2.303 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCOC[C@H]1CCOC1 1722275659 ASSQRABEWRVAFT-PKOBYXMFSA-N 474.631 2.448 30 10 JEEE C#CCN(c1nnc(C)n1Cc1cc(Cl)c(OCC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1722363925 IMMVNFPIJYMKBY-INIZCTEOSA-N 452.964 2.322 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1CCCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1722364392 ZLZOPEKYYYRAFD-IBGZPJMESA-N 498.609 2.184 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCC(=O)N2CCCCC2)CC1 1722433751 FNRCLZLSEJHAJO-UHFFFAOYSA-N 466.586 2.120 30 10 JEEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccccc2CN(C)C(C)C)CC1 1722441602 SVAFCKUGZRBAMH-UHFFFAOYSA-N 463.630 2.044 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1nc(C)c(C)s1 1722449963 WMBXIDJOIMJPJQ-UHFFFAOYSA-N 463.567 2.400 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1Cl 1722475236 SGHGTYLTQQCFJW-WIYYLYMNSA-N 463.991 2.305 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc3cccnc23)nnc1N(C)CCNS(C)(=O)=O 1722493953 AXCRBRWXTWXPFI-GHTZIAJQSA-N 470.599 2.460 30 10 JEEE C=C1CCN(c2nnc(C(=O)NC(CC)CC)n2CCc2ccc(S(N)(=O)=O)cc2)CC1 1722558987 GIMGHWXLHSUDDQ-UHFFFAOYSA-N 460.604 2.243 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1NC(=O)CC1(C)C 1722654191 JVLIIOXMDNNKQD-AZUAARDMSA-N 487.626 2.296 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC(NC(=O)C(C)C)CC1 1722697383 ITVRQIHOKHLUOW-UHFFFAOYSA-N 476.585 2.174 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCN(C(=O)c2ccsc2)CC1 1722727025 FBIQBXNKJCVBNP-UHFFFAOYSA-N 451.618 2.101 30 10 JEEE C[C@H]1[C@H](C)CCN1c1nnc(-c2cccc(C#N)c2)n1CCS(=O)(=O)N1CCSCC1 1726603169 CURIWKKCMQQVAE-SJORKVTESA-N 460.629 2.430 30 10 JEEE C#CCCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1740569984 MUJYLXWJWCDMBF-QGZVFWFLSA-N 478.557 2.298 30 10 JEEE C#CCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1740591289 NMLCMCOFFSQBQC-FQEVSTJZSA-N 459.572 2.064 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1ccc(OCCC)nc1)[C@@H]1CCS(=O)(=O)C1 1740625608 GWOHJHKFFIUBCK-WOJBJXKFSA-N 473.599 2.379 30 10 JEEE C#CCN(c1nnc(C2CCN(c3ncccn3)CC2)n1CCC(C)(F)F)[C@@H]1CCS(=O)(=O)C1 1740626906 NYCDSCRUCNCHLD-GOSISDBHSA-N 493.584 2.124 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1Cc1cccnc1N1CCOCC1 1740643583 KVPAGYQRCCINJY-UHFFFAOYSA-N 467.533 2.081 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(OC(F)F)c2)n1CCN1CCCS1(=O)=O 1740647865 XVKAPTDVVVFPDA-UHFFFAOYSA-N 463.510 2.045 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1740759322 IOYMWVXCYGNBII-NFBKMPQASA-N 488.658 2.495 30 10 JEEE C=C(Cl)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(c2ncccn2)CC1 1740821367 FJCAWJUVHDWWQH-QGZVFWFLSA-N 490.996 2.456 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCN(CCN2[C@@H](C)CC[C@@H]2C)CC1 1740960880 DZCVXVDKBKWYJR-GOTSBHOMSA-N 479.673 2.474 30 10 JEEE C=CCOc1ccccc1Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1740969307 MUVBPXYMOSSGFN-LJQANCHMSA-N 456.572 2.305 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1C[C@@H](C)OC(C)(C)C1 1740991951 IYXSSEVWKLZCMI-APWZRJJASA-N 462.572 2.395 30 10 JEEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCO[C@H](C)C2)C1 1746536710 HUGMRYDRCVTERI-IMFGXOCKSA-N 458.588 2.150 30 10 JEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N(CC)Cc1ccc(C(=O)N(C)C)cc1 1749033674 MEEVYWDBIWCDIM-LJQANCHMSA-N 454.600 2.324 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@]1(O)CCO[C@@H]1C 1749051587 JUVRIGFLGJYLOX-AVIJNYRZSA-N 457.962 2.394 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2nc(CC)ns2)CC1 1749115509 RUEARYPFHKBUDL-FUHWJXTLSA-N 474.635 2.138 30 10 JEEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1CCC[C@H](C)C1 1749229938 RFMHRNVNFBZULG-OTWHNJEPSA-N 455.625 2.219 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@@]1(O)CCS(=O)(=O)C1 1749560374 LVKUVTDENGISRD-IERDGZPVSA-N 450.536 2.285 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCSC1 1749590606 BOEWFRIWDGZUAJ-HKUYNNGSSA-N 481.644 2.192 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@]1(O)CCN(C)C1 1750075307 CUHZWNKIMPALQL-SBUREZEXSA-N 461.611 2.055 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCO[C@@H]1CCOC1 1760117485 PIYKURLCRKQXDK-IPMKNSEASA-N 463.579 2.240 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2CC2([S@](C)=O)CCC2)c1 1760128860 VBQRESAIXJJFMJ-CVCYQNGTSA-N 455.584 2.139 30 10 JEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(O)(c2c(F)cccc2F)CC1 1760145698 TWWUAHCIVYYCPE-HNNXBMFYSA-N 467.542 2.068 30 10 JEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(CC(C)C)CC1 1760147081 GTOGGXHZFBCGCK-UHFFFAOYSA-N 458.632 2.387 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCCc1c[nH]nc1C)[C@@H]1CCS(=O)(=O)C1 1760183404 BFJLTVJNNDVDOT-OAQYLSRUSA-N 463.567 2.108 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CCOCC(=C)C)[C@@H]1CCS(=O)(=O)C1 1760187652 XNUJXPQIXSKXEF-QGZVFWFLSA-N 464.538 2.367 30 10 JEEE C#CCN(c1nnc(COc2ccccc2CC)n1Cc1c(C)nn(C)c1C)[C@H]1CCS(=O)(=O)C1 1760192485 VAFWNQFIBGXRII-NRFANRHFSA-N 496.637 2.445 30 10 JEEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C 1760202193 VVGMEIONSPYDHM-KRWDZBQOSA-N 466.542 2.478 30 10 JEEE C#CCN(CC#CC)c1nnc(COc2ccc(OC)cc2)n1CCN1CCOC(C)(C)C1 1760223513 UUKMUGULJVDCRJ-UHFFFAOYSA-N 451.571 2.439 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCn2cc(Br)cn2)CC1 1760257955 CUTNNVGRIADXPF-UHFFFAOYSA-N 465.359 2.231 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2ccc(F)c(F)c2)CC1 1760264920 HWGZIGYYPOAOPG-UHFFFAOYSA-N 470.524 2.001 30 10 JEEE C#CCSCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1760275413 WZQKJRXWUFKKJT-IAGOWNOFSA-N 498.588 2.456 30 10 JEEE C=C(C)COCCn1c([C@@H](C)CC)nnc1N1CCN(c2cc(N3CCOCC3)ncn2)CC1 1760352822 YYKCAFTWNMIOBU-FQEVSTJZSA-N 470.622 2.338 30 10 JEEE C=CC[C@@H](Cn1c(N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)nnc1C(C)(C)C)c1ccccc1 1760420105 IZFNWNTUFNBLJN-FQEVSTJZSA-N 492.628 2.402 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(OC[C@H]2CCOC2)CC1 1760518343 QWVALOOTGARNJJ-INIZCTEOSA-N 460.966 2.318 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N(CC)C[C@@H]1COc2ccccc2O1 1760555608 IVLLJOZJFREBKT-RBUKOAKNSA-N 476.599 2.439 30 10 JEEE CC(C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@]1(N(C)C)CCSC1 1760932035 HMXYGWYGGHAQNQ-VGOFRKELSA-N 455.636 2.216 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@@H]1CCC[C@@H](O)C1 1761236300 CLMOUXRECMENBY-FGZHOGPDSA-N 465.602 2.161 30 10 JEEE CC(C)OCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCCS2(=O)=O)CC1 1761323185 DMSJKTANQCRWQM-JOCHJYFZSA-N 486.642 2.331 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@](C)(O)c1ccsc1 1761466132 HSGTVMAKPLGDSD-BTYIYWSLSA-N 474.612 2.366 30 10 JEEE CCCn1nc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2CCC(=O)NC)c2ccccc2c1=O 1764494686 HGSRMTGMPMSKRR-XMMPIXPASA-N 462.558 2.331 30 10 JEEE CCO[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CC#N)c1ccccc1 1767375247 BUSOYCWGNZDMDV-SXLOBPIMSA-N 476.603 2.127 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)Cc1c(C)nn(C)c1C 1772660228 ZHMCWXKSHJQISP-UHFFFAOYSA-N 486.598 2.304 30 10 JEEE Cn1c([C@H](C#N)C(=O)CN2CCN(c3nnc(-c4cccs4)c(O)n3)CC2)nc2ccccc21 1859428180 NTRUWHXDFAOOIL-OAHLLOKOSA-N 474.550 2.191 30 10 JEEE CCc1cccc(C)c1N1C[C@@H](C(=O)Nc2c(C#N)nnn2-c2ccc3c(c2)C(=O)N(C)C3=O)CC1=O 1870151563 ZMSPWFCELYAALR-INIZCTEOSA-N 497.515 2.227 30 10 JEEE C=CCn1cc(OCC(=O)NC[C@@H]2CCCO2)c(=O)cc1CNc1ccc(NC(C)=O)cc1 1870982920 HJIASLJTSITQFL-NRFANRHFSA-N 454.527 2.279 30 10 JEEE CCCCCCCCCCN=c1nc(Nc2ccc(S(N)(=O)=O)cc2)[nH]c(N2CC(O)C2)n1 1871509596 VVSXMBCLJHHSMW-UHFFFAOYSA-N 477.635 2.418 30 10 JEEE C=CCN=c1nc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)[nH]c(=Nc2cccc([N+](=O)[O-])c2)[nH]1 1871518102 QJWRHZXBEQWLMH-UHFFFAOYSA-N 477.485 2.200 30 10 JEEE CCOc1c(Br)cc(/C=N/n2c(COC)nnc2SCC(N)=O)cc1OC 1874498766 DWDDXDQGDGWPEB-FBCYGCLPSA-N 458.338 2.054 30 10 JEEE C=CCn1c(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc2c(NCCN(C)C)ncnc21 1875230634 INRFRWRTZOOCGJ-UHFFFAOYSA-N 491.596 2.278 30 10 JEEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)[C@@H]3CC(=O)N(C4CCCCC4)C3)CC2)CC1 1889423333 SFGUKXKKEJBMDB-HSZRJFAPSA-N 472.674 2.205 30 10 JEEE CC(C)NC(=O)[C@H](C)N1CCN(C(=O)[C@@H]2SCC(=O)N(C(C)C)[C@@H]2c2ccc(C#N)cc2)CC1 1892246338 CNUWEPHHWCGJRR-CDNPAEQRSA-N 485.654 2.009 30 10 JEEE C[C@]12C[C@@H]([C@@H]3CC[C@H]4[C@@H]5[C@@H]6O[C@@H]6[C@@]6(O)CC=CC(=O)[C@]6(C)[C@H]5CC(=O)[C@@]43C)[C@@H](C1)OC(=O)[C@]2(C)O 2043444406 XTQKMXGXXCXGMX-KKGUEEKLSA-N 484.589 2.364 30 10 JEEE C#CC[C@](C)(CO)CNC(=O)c1cc(I)cc(I)c1O 2205645192 SAYVYBCGNJYEAI-AWEZNQCLSA-N 499.086 2.353 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NCCO[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 2255156420 OJVSYNWWSIDOKA-WCCYLALTSA-N 451.564 2.435 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CO)CNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(Cl)c1 2255542698 WFJFEZRKVOTTIA-CQSZACIVSA-N 454.760 2.255 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)CCO1 2255808366 IOWPCUCWGLSRKJ-CQSZACIVSA-N 452.382 2.413 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CN(S(=O)(=O)c3sccc3B3OC(C)(C)C(C)(C)O3)C[C@@H]21 2255947640 CCDBYZDJFXIRST-AGGWBTHJSA-N 470.422 2.191 30 10 JEEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@]1(C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2256626487 KOQYQYZCJABFMX-MPBGBICISA-N 452.386 2.091 30 10 JEEE CC(C)(C)OC(=O)N[C@@]1(C)CCC[C@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2256673881 GYLKLRRAIUDYHX-YUNKPMOVSA-N 452.386 2.281 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)[C@H]1C[C@@H]2C[C@@H]2C1 2268720816 BMHYEFLKERUVIM-XJFOESAGSA-N 464.397 2.137 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@]12COCCN(C(=O)[C@@H]1C[C@@H]1B1OC(C)(C)C(C)(C)O1)C2 2281928308 LKRBRPJHUIKZMT-DGGJZMOXSA-N 466.384 2.334 30 10 JEEE Cc1c(C(=O)N(C)C[C@@H]2CCCN2C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281989411 ZEWYUSHYICXGRW-INIZCTEOSA-N 462.400 2.499 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@]2(CCN(C(=O)c3ncc(B4OC(C)(C)C(C)(C)O4)cn3)C2)C1 2282030660 IWFWRZMBYSVKJX-HSZRJFAPSA-N 458.368 2.249 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)NCC1(CO)CN(C(=O)OC(C)(C)C)C1 2282145294 JTUIMECEHCPTIC-UHFFFAOYSA-N 460.380 2.253 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)[C@H](C(=O)O)C1 2282179323 LHEVIMULUABPOH-KRWDZBQOSA-N 460.336 2.132 30 10 JEEE C[C@H]1CN(Cc2ccccc2)[C@H](C)CN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282343570 QJLGJISJGDFMSB-MSOLQXFVSA-N 474.436 2.003 30 10 JEEE C[C@@H](O)CN(CCNC(=O)c1c(F)cccc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2282467064 IGBAOSYVLRDPBN-OAHLLOKOSA-N 466.359 2.473 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NOCCCNC(=O)OC(C)(C)C 2282493461 WKUAOFPYJFKCJO-UHFFFAOYSA-N 486.396 2.119 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@]12C[C@@H](CNC(=O)OC(C)(C)C)C2 2282527336 BIHNUPYAKSRAQC-CWSKOGRWSA-N 460.384 2.239 30 10 JEEE Cn1cc(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 2282553968 WTSWSUJYVVZUDW-XOSAIJSUSA-N 460.384 2.141 30 10 JEEE CC(C)(C)OC(=O)NCCCN(CCO)C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282609780 MYKWYGGUGPOCEQ-UHFFFAOYSA-N 483.802 2.384 30 10 JEEE Cc1ccc(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 2282679616 BYCHARQRFWHURB-VQIMIIECSA-N 460.380 2.252 30 10 JEEE CC(C)(C)OC(=O)N[C@@]1(C)CCCN(S(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282827610 AUKLRWPOQKDKHP-QFIPXVFZSA-N 481.424 2.449 30 10 JEEE CC(C)(C)OC(=O)NCCn1cnc(C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)c1 2283958677 CGDUYWGFTWFPHD-UHFFFAOYSA-N 457.340 2.354 30 10 JEEE C[C@@H]1COC[C@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)N1C(=O)OC(C)(C)C 2283969292 IDRVPEDDZIYBMF-CZUORRHYSA-N 465.331 2.483 30 10 JEEE CC(C)(C)OC(=O)N1CCC(O)(C(=O)NCc2ccccc2B2OC(C)(C)C(C)(C)O2)CC1 2284059523 UGARPRRLBSBFTN-UHFFFAOYSA-N 460.380 2.364 30 10 JEEE CN(Cc1ccccc1)C[C@H](NC(=O)c1c(F)cccc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284494488 NZJUHFWTSJRHTE-IBGZPJMESA-N 456.323 2.440 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)C2(B3OC(C)(C)C(C)(C)O3)CCC2)[C@H](CC(N)=O)C1 2343356565 XAXBXSJBQTWTSV-OAHLLOKOSA-N 451.373 2.326 30 10 JEEE CC(=O)c1ccc(NC(=O)CSc2nnc(N/N=C/c3cccc([N+](=O)[O-])c3)n2N)cc1 20291918 MECOERFVDWBQFZ-UFFVCSGVSA-N 454.472 2.280 30 10 JEEE CC(C)n1cc(/C=N/Nc2nnc(SCC(=O)NCCc3ccc(Cl)cc3)n2N)cn1 20920797 UKFHPNFDIOPSMM-NUGSKGIGSA-N 461.983 2.320 30 10 JEEE COc1ccc(NC(=O)CSc2nnc(N/N=C(\C)c3ccc4c(c3)OCO4)n2N)c(OC)c1 21318259 TYEPLAXKCAZMEW-WYMPLXKRSA-N 485.526 2.305 30 10 JEEE COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccco2)cc1OC 103098092 SNKZXFXJFFZFLG-AGGMBTAESA-N 456.495 2.441 30 10 JEEE Cc1nn(-c2ccccc2)c(N2CCOCC2)c1/C=N/Nc1nnc(SCC(=O)NCC(C)C)[nH]1 253571875 PMNNUHDVAJSFKM-AFUMVMLFSA-N 497.629 2.446 30 10 JEEE COc1ccc(-c2noc(CN3CCN(S(=O)(=O)c4ccc(F)c(C#N)c4)CC3)n2)cc1 488789244 DHQRZQPNQMXGEV-UHFFFAOYSA-N 457.487 2.262 30 10 JEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCC[C@@H]3C(=O)Nc3nccs3)nnc12 506164939 QLHHHSRVCJRJSQ-MRXNPFEDSA-N 495.590 2.409 30 10 JEEE COc1cc(NC(=O)CCSc2n[nH]c(NN=Cc3c(C)nn(CCO)c3C)n2)cc(OC)c1 1084577012 VGKPAEVEEYWDIT-UHFFFAOYSA-N 488.574 2.194 30 10 JEEE C=C(C)CN1CCC(NC(=O)c2cc(I)ccc2-n2cnnn2)CC1 1144413634 TWIKEZCBGZEVGM-UHFFFAOYSA-N 452.300 2.037 30 10 JEEE C=CCO[C@H]1CCN(C(=O)Nc2ccc(S(=O)(=O)N3CCC[C@@H](C(=O)OC)C3)cc2)C1 1197220881 RYSATGCSEIRNPK-AEFFLSMTSA-N 451.545 2.069 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H](c1ccc(F)cc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1286386818 HYBOHBYWPOLZCY-IFMALSPDSA-N 482.585 2.409 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCN(CC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1286388446 PEHRVNYQBCCVLS-GOSISDBHSA-N 465.023 2.351 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@H]1OCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1286388806 VPGIDDJDYAXSAR-CBGDNZLLSA-N 474.583 2.014 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3noc4c3COCC4)n2C[C@H](OC)[C@H](C)CC)CC1 1286490620 NRROGEHHWURATQ-UZLBHIALSA-N 470.574 2.033 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@H]2CCCO2)CC1 1286493451 BBOMMBDZVJLBHY-PMACEKPBSA-N 486.617 2.495 30 10 JEEE C#CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1286509056 MGCZISMLYCKFLY-QFBILLFUSA-N 457.556 2.434 30 10 JEEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1286511170 GOHXKODPGVUYRQ-CQSZACIVSA-N 459.519 2.404 30 10 JEEE C#CCSCCn1c(N2CC[C@@]3(CCC(=O)N3)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1286511589 BAKYFEQZMVFPCF-MFEFFIJZSA-N 474.631 2.274 30 10 JEEE C#CCSCCn1c(N2CCS(=O)(=O)C3(CCCCC3)C2)nnc1[C@]1(OCC)CCOC1 1286512042 HPTSNQLGOBSMTR-QFIPXVFZSA-N 482.672 2.234 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccc(C)c1 1286522174 IFSYKVQYVLHWHT-NZQKXSOJSA-N 457.600 2.154 30 10 JEEE C=C(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1286584427 CTTIHLMZTHZTMM-HXUWFJFHSA-N 486.020 2.180 30 10 JEEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(=O)c2ccc(C)s2)CC1 1286619847 DRKLZRVLQUHVCK-CQSZACIVSA-N 487.051 2.410 30 10 JEEE C=CCN(CCOC)c1nnc(-c2cn(C)c3ccccc23)n1CC1(O)CCS(=O)(=O)CC1 1286768110 QGKBGRMTJPKUCB-UHFFFAOYSA-N 473.599 2.015 30 10 JEEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCN1CCOC(C)(C)C1 1286776172 GZMXLAPIUJGZDR-GOSISDBHSA-N 464.611 2.320 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1286783263 IMALLYPVOVNMOA-RTBURBONSA-N 482.585 2.291 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N(C)CC(=O)Nc1cccc(Cl)c1 1286788795 GOODRVRVVAQCCO-UHFFFAOYSA-N 453.934 2.294 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccn3)n2Cc2ccccc2S(=O)(=O)N(C)C)C1 1286807049 ITPRQAMOTJAMII-NRFANRHFSA-N 482.610 2.344 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H]2CCC(=O)N2)C1 1286810295 PGVFOZOFGYTSSE-QRVBRYPASA-N 474.606 2.453 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CC[C@H](CN2CCCCC2)C1 1286820318 JIVCXTPCXMSWMD-UXHICEINSA-N 451.637 2.433 30 10 JEEE CC(C)(Cn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@H](C#N)C1)N1CCOCC1 1287092981 GHKQFIWHLGJYKL-LJQANCHMSA-N 460.966 2.350 30 10 JEEE Cc1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCN2CCOC(C)(C)C2)c(=O)n1C 1289664894 BULZLSTUBZEGTD-UHFFFAOYSA-N 475.597 2.419 30 10 JEEE CN(C[C@H]1CCCCO1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1298535544 GLRCWZSLLXVQBA-WOJBJXKFSA-N 458.588 2.246 30 10 JEEE C#CCCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCO[C@H](COC)C1 1300341161 DKWWOXQLPSZDID-SFHVURJKSA-N 460.604 2.202 30 10 JEEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccccc2OCC)CC1 1300356254 AWMQRSAEHKENIC-HXUWFJFHSA-N 464.570 2.394 30 10 JEEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H](c1ccc(C)o1)N1CCOCC1 1300431177 DWNWRYPTAWJQHN-RDPSFJRHSA-N 457.575 2.363 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1300484823 SCGICSXAZZANMQ-HBMCJLEFSA-N 488.610 2.077 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1CCCNC(=O)C1CCC1)[C@H]1CCS(=O)(=O)C1 1300487134 GWSHSDFYZKHZIL-FQEVSTJZSA-N 469.611 2.187 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1CCCCN1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1300487906 NFMXJKICEXDVEY-NRFANRHFSA-N 472.659 2.422 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@@H](C)N(C)C1CC1)[C@H]1CCS(=O)(=O)C1 1300497642 BOYTZSBKEZUQNW-AEFFLSMTSA-N 477.581 2.257 30 10 JEEE C#CCN(c1nnc(COCC)n1CCc1nc(C(F)(F)F)cs1)[C@@H]1CCS(=O)(=O)C1 1300503374 CFSJFOLZOILVIC-CYBMUJFWSA-N 477.534 2.159 30 10 JEEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCN1C[C@H](C)O[C@@H](C)C1 1300618514 HKUABRYRYSYJLX-OALUTQOASA-N 473.647 2.197 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)c1cccs1 1300631656 VECVGHCOIUVKDA-MRXNPFEDSA-N 451.618 2.110 30 10 JEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCN2C[C@H](C)C[C@@H](C)C2)CC1 1300708526 TUNLBJSTKCRNFV-NHCUHLMSSA-N 452.651 2.263 30 10 JEEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1300766925 NWYWQQCMGLWIAZ-QFIPXVFZSA-N 453.660 2.235 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1300873847 HTRVROLFDVHXNH-FPOVZHCZSA-N 470.599 2.316 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](OCCC)CC1 1301043873 FCSHMWRECQOHIC-IRXDYDNUSA-N 462.016 2.149 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@H]1CCCN(c2ccccc2)C1 1301477557 BXVNLVHSBWMIDT-FQEVSTJZSA-N 474.569 2.333 30 10 JEEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CCN2[C@@H](C)CC[C@H]2C)CC1 1301609659 MPXLWKNSDISYIH-ZCNNSNEGSA-N 461.680 2.143 30 10 JEEE C=CCN1CC[C@H](N(C)S(=O)(=O)c2cc(C(=O)OCC)cc(C)c2Br)C1=O 1309446023 WFSUDNQXCKSTHM-AWEZNQCLSA-N 459.362 2.342 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CCCOC(F)(F)F)c1 1358900097 BETOJXSWTSPVLG-UHFFFAOYSA-N 466.464 2.399 30 10 JEEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1CC(=O)NCCc1ccccc1 1358941083 XSYZAEPOCOLUQB-UHFFFAOYSA-N 455.360 2.474 30 10 JEEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(F)(F)C1(OC)CCOCC1 1358946113 JFNSMBPBQAQFTA-UHFFFAOYSA-N 472.496 2.092 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOc1ccc(F)c(Cl)c1 1358978322 JJHJNJFOQFOKOR-HNNXBMFYSA-N 450.923 2.125 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1NC(=O)CC1(C)C 1358983797 WZCZDFDDRYLHGN-FGTMMUONSA-N 454.575 2.036 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1CCNc1nccc(C(F)(F)F)n1 1359024053 DNXLBVNEIOEJFN-HNNXBMFYSA-N 453.469 2.179 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(F)(F)C2(OC)CCOCC2)CC1 1359033098 PNIGPIULDPPAIE-UHFFFAOYSA-N 470.524 2.403 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@]2(O)CCSC2)CC1 1359034778 CGVUAYGOSLEGHL-NTKDMRAZSA-N 490.674 2.016 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2ccccc2C)C1 1359056888 NGOGDVDTHGFOKU-ICSRJNTNSA-N 460.625 2.433 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(Cl)ccc1OC 1359070315 KIWXSZSDVFVUHT-SIKLNZKXSA-N 494.017 2.313 30 10 JEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(-n3nc(C)cc3C)nc2)CC1 1359159267 RNBDULXUDMKDKP-SFHVURJKSA-N 470.603 2.291 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1359291370 NYFDQSQRYUSAHM-LJQANCHMSA-N 482.585 2.224 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CC(C)(C)NC(=O)OC(C)(C)C)C1 1359324403 KNUVDEZGXWCLCS-QGZVFWFLSA-N 462.595 2.485 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H](CC)C1 1359328371 BEGOYOBTQBVTHG-KRWDZBQOSA-N 481.644 2.033 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCC(C(=O)NCc2ccc(C)cc2)CC1 1359332597 BPHDZSIMSNWVSE-UHFFFAOYSA-N 459.616 2.283 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cn2ccc3ccccc32)nnc1N1CCN(C(C)C)CC1 1359334767 QIQHELSLJAITLA-UHFFFAOYSA-N 456.616 2.412 30 10 JEEE CC(=O)N1CCC[C@@H](Cn2c(CC(C)C)nnc2N2CCN(c3cc(C#N)ccn3)CC2)C1 1359371136 FGPGFSRPIJREKJ-OAQYLSRUSA-N 450.591 2.328 30 10 JEEE CC(=O)N1CCN(CCn2c(-c3ccc(Br)s3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1359400087 ACFPLCKVGNIRRF-LJQANCHMSA-N 496.410 2.375 30 10 JEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1cccc(CN2CCC(CO)CC2)c1 1446029314 DBFKGRMKIKZXON-QGZVFWFLSA-N 456.568 2.068 30 10 JEEE C#CCNS(=O)(=O)N1CCN(C(=O)CCN2c3ccccc3Sc3ccccc32)CC1 1455116386 YLKUHLWXXZAEJD-UHFFFAOYSA-N 456.593 2.291 30 10 JEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](NC(=O)c3ccc(Cl)cc3)C2)cc1 1472152985 ZMPLYMFUGAIVJR-IBGZPJMESA-N 459.955 2.286 30 10 JEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 1507557348 PWJBXBBGBJCGFL-ZWKOTPCHSA-N 466.652 2.071 30 10 JEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCN1C[C@H](C)O[C@@H](C)C1 1507605131 QAWDSMFGAUTKPS-ROUUACIJSA-N 473.647 2.115 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCCC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1507623084 OSDQTYVLTYOECF-KRWDZBQOSA-N 458.588 2.378 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccc(OC(C)C)cc1)[C@H]1CCS(=O)(=O)C1 1507634529 YVOFQMABSHHVKN-UXHICEINSA-N 458.584 2.244 30 10 JEEE C#CCN1CCN(c2nnc(-c3nn(CCC)c(=O)c4ccccc34)n2CCN(C)C(C)C)CC1 1507723373 GFYOAPPTXBTELK-UHFFFAOYSA-N 476.629 2.160 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2CC(=O)N(C)C2CCCCC2)CC1 1507733135 XZSJZRNUHYDFFD-UHFFFAOYSA-N 480.613 2.412 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H]2CCCCO2)CC1 1507734968 FZDSRIQOKNCQKW-HXUWFJFHSA-N 467.570 2.497 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nccn2C(F)F)CC1 1507735167 MSKRZUGUKMEFIH-UHFFFAOYSA-N 464.480 2.422 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2Cc2ccn(C)n2)CC1 1507735203 NSXYQYGBURVBCY-UHFFFAOYSA-N 491.596 2.490 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2cccc(C(C)(C)O)c2)CC1 1507739033 LAEZOELWNZLVTH-HXUWFJFHSA-N 451.571 2.024 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CCNC(=O)c2ccccc2F)CC1 1507742287 GBJKCNQVKNKANH-UHFFFAOYSA-N 454.550 2.012 30 10 JEEE C#CCSCCn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1507752691 CCMXUJHYTSPYBA-QFIPXVFZSA-N 466.655 2.287 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1507805242 MEYWYRRKAZCISX-ZRNYENFQSA-N 470.636 2.387 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@H](CC(N)=O)C1 1508133910 ONAFECNRDRFMNG-AWEZNQCLSA-N 469.970 2.430 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2[C@@H]2C[C@H]2CCC)c1 1539038006 KJCMDIXZWQPHGI-KVSKMBFKSA-N 458.588 2.306 30 10 JEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2ccc(OCC)cc2)CC1 1539125395 LSHWCWRGTHCAJV-NRFANRHFSA-N 471.627 2.315 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1nc(C(F)(F)F)cs1 1539126422 UPOUHJNURSQKJJ-CYBMUJFWSA-N 492.549 2.136 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1Cc1ccc(F)cn1)[C@H]1CCS(=O)(=O)C1 1539229630 FPOVYFMCHOUIKU-NRFANRHFSA-N 453.543 2.272 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(OC)c2)n1Cc1ccc(N2CCOCC2)nc1 1539399429 LBRLWIYSQMJHSC-UHFFFAOYSA-N 462.554 2.320 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC(C)(C)COCC)CC1 1539434358 JDPKGQZSLSSNLE-UHFFFAOYSA-N 488.658 2.013 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[C@@H]2CCOC2)CC1 1539469757 GHLJYYDLEUFJHU-QGZVFWFLSA-N 452.515 2.246 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(OC)cc3)n2CCN2CC=CCC2)CC1 1539489691 VUTVCWPKVZYCSC-UHFFFAOYSA-N 478.597 2.093 30 10 JEEE C=CC[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(S(C)(=O)=O)CC1)c1ccccc1 1539939601 JFVJZCMNEVIRHX-HKUYNNGSSA-N 495.671 2.262 30 10 JEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1540035631 FQSHNLPPKLPUSV-ZWKOTPCHSA-N 483.635 2.219 30 10 JEEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(Oc2c(OC)cccc2OC)CC1 1540858252 ODILQQDFLIBGPN-MRXNPFEDSA-N 462.572 2.431 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N1CC[C@@H](C(N)=O)C1 1540865800 SKHRVAMFVOSFQG-OAHLLOKOSA-N 454.531 2.427 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CCC2(CCN(C)C2=O)CC1 1540865873 VIGFTRWXQUXTFJ-UHFFFAOYSA-N 487.402 2.459 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1540900795 IOJLBYTZAISJEC-UHFFFAOYSA-N 460.604 2.103 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1540902720 OVHXYODXXODSDS-IBGZPJMESA-N 483.635 2.425 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@](C)(OC)C1 1540903186 AHJABAHWEMQDOI-KNQAVFIVSA-N 462.572 2.397 30 10 JEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCc2c(F)cc(F)cc2[C@H]1C 1540907291 RFSGNTWULAFZCV-OAHLLOKOSA-N 479.553 2.403 30 10 JEEE CC(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCN(C(C)=O)C2)C1 1541051586 CJLUSPCKDBECCM-YADHBBJMSA-N 463.586 2.428 30 10 JEEE CCN1CCN(C[C@@H](C)Cn2c(C(=O)N3CCCC3)nnc2N(C)Cc2cccc(C#N)c2)CC1 1547724664 CBZWPWCSLGWKBY-OAQYLSRUSA-N 478.645 2.296 30 10 JEEE COCCNC(=O)[C@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CCN1C(=O)c1ccco1 1548372628 OPFVHLGMFPMGIA-QGZVFWFLSA-N 450.417 2.264 30 10 JEEE C[C@H](CC(=O)N[C@H](C)C[C@@H](C)NC(=O)OC(C)(C)C)/N=C1/NS(=O)(=O)c2ccccc21 1557179789 BUSWPBMUTVHCSR-RBSFLKMASA-N 452.577 2.312 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1ccc(C(N)=O)cc1 1587569119 VFWRMCBUAWBPMF-HNNXBMFYSA-N 465.583 2.152 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1CCc1csc(C(C)(C)C)n1)[C@H]1CCS(=O)(=O)C1 1588054304 NEAIFVFLKRXDBD-WMZOPIPTSA-N 477.656 2.405 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1ccccc1CN1CC[C@@H](O)C1)[C@H]1CCS(=O)(=O)C1 1588059043 IAEHGBYOGDJFBQ-XZOQPEGZSA-N 499.681 2.108 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(-c3ccccc3)on2)n1CCC[C@@H]1NC(=O)NC1=O 1588219037 JGSYYVJPIKQVHV-SFHVURJKSA-N 457.494 2.051 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cc(Br)cs2)CC1 1588732953 JBBIPGBEPUJTGU-UHFFFAOYSA-N 451.394 2.044 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@H]2CCCCN2CCC)CC1 1588954637 JSXFXZLLOSHGHR-HSZRJFAPSA-N 463.630 2.494 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1C[C@@H](c1ccc(C)o1)N1CCOCC1 1589135233 VOWZCKMKMXKIPZ-YADARESESA-N 454.575 2.383 30 10 JEEE C=C(Br)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1589442487 ABGBNTCGRLBIHE-UHFFFAOYSA-N 484.420 2.464 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(CC(=O)NC)CC1 1589570880 XAXMLDFOSMGNMR-NZQKXSOJSA-N 455.607 2.473 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2nc(C(C)C)cs2)CC1 1594097823 ZHUAWAWQYWQLBQ-QGZVFWFLSA-N 466.633 2.396 30 10 JEEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1594568310 VMJRJXBHOAOUPV-QFIPXVFZSA-N 473.666 2.102 30 10 JEEE C=CCOc1ccccc1Cn1c(-c2cccnc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1595648570 FLDATJICPMFKPK-UHFFFAOYSA-N 489.580 2.126 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1595785163 RVPPFGXJUFNZBY-KRWDZBQOSA-N 463.579 2.378 30 10 JEEE CC(C)Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCNC(=O)OC(C)(C)C 1603682790 FJGMYSRGNHPRFU-KRWDZBQOSA-N 469.594 2.378 30 10 JEEE COc1ccncc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1619468837 ADPOTQARTODBMU-LJQANCHMSA-N 452.540 2.282 30 10 JEEE COc1cc(C(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)cc(NS(C)(=O)=O)c1OC 1623490642 DHFAIXISDZKLMR-LJQANCHMSA-N 458.540 2.098 30 10 JEEE CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cc1 1624812871 ANHAIPMBGNODKU-LESCRADOSA-N 450.561 2.252 30 10 JEEE N#CCCN1CCN(C(=O)CCNS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 1635905546 CLLPHFMUJZDYCX-UHFFFAOYSA-N 452.886 2.085 30 10 JEEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCN(S(C)(=O)=O)c4ccccc4C3)n[nH]2)c1C 1638003444 VEPPYMSKOWNURN-UHFFFAOYSA-N 454.556 2.498 30 10 JEEE CCNC(=O)COc1cccc(CNS(=O)(=O)c2cc(Br)ccc2C#N)c1 1654436303 GNDKTJDWEVBVCD-UHFFFAOYSA-N 452.330 2.314 30 10 JEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1689930029 JOKDGNHFMMQSGP-MSOLQXFVSA-N 465.620 2.287 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2oc(CC)nc2C)CC1 1690115218 XGHOHPLPKDVIBA-UHFFFAOYSA-N 468.583 2.011 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CC2(c3ccccc3C)CC2)CC1 1690135437 WZSQLWJRWVNTKL-UHFFFAOYSA-N 462.598 2.422 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCCc1ccc(OC)cc1 1690288411 XMHKEKJEWIOWPZ-HXUWFJFHSA-N 463.604 2.265 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2oc(CCC)nc2C)CC1 1690375264 FFOFBERILFCURN-SFHVURJKSA-N 464.592 2.065 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCN2CCCC[C@@H]2C)CC1 1690375928 XXACPYMKROPFQD-PMACEKPBSA-N 466.652 2.032 30 10 JEEE C=CCCOCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CC(=O)N(C)C[C@@H]1C 1690507151 FFQJQXBYJYAEAD-SFHVURJKSA-N 479.585 2.496 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(OC2CCCC2)CC1 1690714730 SQHKDHBFGIXTRG-UHFFFAOYSA-N 488.614 2.454 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCO[C@H](COC)C1 1690723412 QLLYPYSSBZPACM-SFHVURJKSA-N 473.555 2.053 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N(C)C[C@H]1CCCOC1 1690724792 WNOISCXVVJDEBX-YLJYHZDGSA-N 462.572 2.254 30 10 JEEE Cc1csc(CN(C)c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)c1 1693319635 GVCREQIONUWIRX-NRFANRHFSA-N 457.581 2.373 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(CN2CCCC2=O)n1C[C@H]1CCCCO1 1698049783 FCSWTYVIMYEMIL-OAQYLSRUSA-N 452.559 2.494 30 10 JEEE C#CCN(c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC=C)[C@@H]1CCS(=O)(=O)C1 1705566052 LRCYHVYMESZOMS-QGZVFWFLSA-N 466.567 2.049 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCc1ccc(F)cc1C)[C@H]1CCS(=O)(=O)C1 1705567795 ZVZSLQKZMKNOKW-CTNGQTDRSA-N 460.575 2.489 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@H]1CCCN(C(C)=O)C1)[C@H]1CCS(=O)(=O)C1 1705571239 XDBDLESAHQZACP-GMAHTHKFSA-N 483.638 2.063 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccc(C)cc1)N1CCOCC1 1705613220 XMTKJIDWPUEESP-FCHUYYIVSA-N 471.627 2.022 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccccc2OCC=C)CC1 1705643467 HJZDQDCJIRNFCY-GMAHTHKFSA-N 451.571 2.370 30 10 JEEE C#CCSCCn1c(COc2ccccc2OCC)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1705666053 MOIPXIRBKKEYIP-SFHVURJKSA-N 470.599 2.178 30 10 JEEE C=C(Br)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1705688953 WEVOGMKJGJCEEO-AWEZNQCLSA-N 464.324 2.320 30 10 JEEE C=CCC(C)(C)Cn1c(N2CCN(C(=O)[C@H]3CCCN3C)CC2)nnc1[C@@]1(OCC)CCOC1 1705802788 WGGPNFGMIIFJEA-CJFMBICVSA-N 474.650 2.275 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cc(OC)ccc2OC)C1 1705925088 LBUISLGFZKZICL-VQIMIIECSA-N 462.572 2.027 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCN(c2ccc(C)cc2)C(=O)C1 1705937508 WLNJZPYBGVRNKO-UHFFFAOYSA-N 480.594 2.026 30 10 JEEE CC[C@@H](C)[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1708339166 BGSRFJFXMWJIJV-DWXRJYCRSA-N 488.596 2.434 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1Cc1ccc(OC)nc1 1708751203 BWPHJKIFRSSHHD-UHFFFAOYSA-N 489.584 2.242 30 10 JEEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)ccc2C)n1CCS(=O)(=O)N1CCSCC1 1722300306 YCXHBNMXHBVPLE-IBGZPJMESA-N 477.656 2.310 30 10 JEEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1722332849 PITNJMBRRZWOKQ-QUCCMNQESA-N 486.617 2.495 30 10 JEEE C#CCCCn1c(COc2ccccc2OC)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1722340260 SPAKJGAUVCZBBX-IBGZPJMESA-N 473.599 2.283 30 10 JEEE C#CCN(C)c1nnc([C@H](C)OCCOC)n1C[C@@H]1C[C@@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1722345739 RPBQZLSXJMSHFX-RDGPPVDQSA-N 463.579 2.096 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCc2ccc(OC)c(OC)c2OC)CC1 1722450988 VAZFIYNOYVKJJB-OAQYLSRUSA-N 497.596 2.364 30 10 JEEE C=C(C)Cn1c(Cc2ccccc2F)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1722524371 GEBSPRNNCACGCE-UHFFFAOYSA-N 460.535 2.224 30 10 JEEE C=C(C)COCCn1c(COc2ccccc2OC)nnc1N1CCc2nn(C)c(=O)cc2C1 1722537278 XBBWGAHREHFSIF-UHFFFAOYSA-N 466.542 2.115 30 10 JEEE C=CCC(C)(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1722584880 ZNLUMEZZTYFTHF-UHFFFAOYSA-N 456.595 2.386 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 1722700371 GSXWRHFXRYPYQQ-UHFFFAOYSA-N 469.590 2.402 30 10 JEEE C=CCn1c(-c2ccccc2OC)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1722703641 XHKBEOFKYWGPCS-LMMKCTJWSA-N 489.598 2.266 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](CC)c2ccccc2)nnc1N1CCO[C@@]2(CCOC2)C1 1722724294 SNLGKARELJMNAU-OFNKIYASSA-N 460.600 2.417 30 10 JEEE Cc1cc(C)nc(N2CCN(c3nnc(-c4ccc(C#N)cc4)n3CCNC(=O)C(C)C)CC2)n1 1724195176 FPJVGXKNBCIIHT-UHFFFAOYSA-N 473.585 2.322 30 10 JEEE COCC1(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N(C)C[C@H](C)C#N)CCOCC1 1730510954 ACQQEOLAXFMHLH-QGZVFWFLSA-N 461.588 2.388 30 10 JEEE COCCn1cc(Cn2c(COc3ccc(OC)cc3)nnc2N2CCC(C#N)CC2)cn1 1730773573 GPSMDGIHZKOOFZ-UHFFFAOYSA-N 451.531 2.497 30 10 JEEE C#CCN(C)c1nnc(-c2ccc(Br)cc2)n1CCCN(C)S(=O)(=O)CC 1740603383 QPYIBRFUAVAAJD-UHFFFAOYSA-N 454.394 2.449 30 10 JEEE C#CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CCCN1CC 1740680014 OSKFGKBLYBDWQQ-IBGZPJMESA-N 473.647 2.117 30 10 JEEE C=CCCOCCn1c(N2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)nnc1[C@]1(OCC)CCOC1 1740888041 HQOAMQJIJFGZSY-LBVMUVSTSA-N 450.580 2.296 30 10 JEEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2)n1CC1(O)CCS(=O)(=O)CC1 1740938323 COMVXXPGYXKDPJ-UHFFFAOYSA-N 454.980 2.177 30 10 JEEE C=CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CC(F)(F)CO1 1740940629 NINHMCGEQKCAKT-OAHLLOKOSA-N 470.546 2.301 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC(O)(c2c(F)cccc2F)CC1 1740955947 IYISFVIIYBWODF-UHFFFAOYSA-N 454.481 2.409 30 10 JEEE C=CCOc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@@H](CNC(C)=O)C2)cc1 1740967234 AHTKABDDOHIERG-SFTDATJTSA-N 487.626 2.146 30 10 JEEE CC(C)C(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CN2CCOCC2)CC1 1741297193 IDLIQBXPYORIEF-UHFFFAOYSA-N 495.628 2.050 30 10 JEEE CCOc1ccnc(N2CCN(c3nnc(-c4ccc(C#N)cc4)n3C[C@H](C)N(C)C)CC2)n1 1746891993 AAZDGXYLPQGTHF-SFHVURJKSA-N 461.574 2.282 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CCCS(=O)(=O)C1 1748689877 JJRUADLWKZKOFB-TVFCKZIOSA-N 465.620 2.332 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@](C)(O)CCC(C)C)[C@H]1CCS(=O)(=O)C1 1748819029 IUEUINIWGUPFJJ-REWPJTCUSA-N 459.616 2.078 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1nccs1 1748859401 SUPHINGTJKXGJX-KRWDZBQOSA-N 456.572 2.359 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@H](C)N2CCOCC2)CC1 1748976784 AHEORJWHZCIOAH-PMACEKPBSA-N 456.566 2.033 30 10 JEEE C=C(C)Cn1c(CCOc2ccccc2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1749199418 PYQZQVDDMDJJKG-UHFFFAOYSA-N 485.614 2.029 30 10 JEEE C=C(Cl)Cn1c(COc2ccc(OC)cc2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1749280391 JFVRGKPJXZAWKO-IBGZPJMESA-N 474.949 2.385 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)CCOC)CC1 1749342150 BZJNTNQCJDABQL-SFHVURJKSA-N 455.625 2.076 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1CCOCC1 1749537978 QRNUTKYUDSKUNM-OAQYLSRUSA-N 459.616 2.095 30 10 JEEE C=CCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCN(C(=O)NCC)CC1 1749626053 KSYPBFQTBITGQM-UHFFFAOYSA-N 450.547 2.103 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC(CNC(C)=O)CC1 1749653256 ZLYGTOFYAWESPW-UHFFFAOYSA-N 461.570 2.456 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Br)cc2)nnc1N1CCC(NC(C)=O)CC1 1749724233 JBWDFVMTBRAQGR-UHFFFAOYSA-N 496.431 2.413 30 10 JEEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2Cc3ccccc3C2)CC1 1749744019 DMQUGAHBXADIHJ-GOSISDBHSA-N 490.699 2.097 30 10 JEEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1760146559 POACJBPCAFZDSH-OAHLLOKOSA-N 454.394 2.473 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1CCO[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1760181494 WCLUVGPZYJBWHN-GGPKGHCWSA-N 488.610 2.404 30 10 JEEE C#CCN(c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@]1(C)CN(C)C1=O)[C@@H]1CCS(=O)(=O)C1 1760184937 ZLBWPACUHUZPMT-NLFFAJNJSA-N 483.638 2.348 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@](C)(O)c1cc(C)oc1C)[C@@H]1CCS(=O)(=O)C1 1760189039 GDVKDIINCMKNMR-HYBUGGRVSA-N 483.594 2.008 30 10 JEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc(C[S@@](C)=O)cc1 1760200431 INPNCLWVAMPQRJ-UUWRZZSWSA-N 494.646 2.238 30 10 JEEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ncn(-c2ccccc2)n1 1760212259 SARXHWKFBGJVLO-VWLOTQADSA-N 459.554 2.411 30 10 JEEE C#CCN(CCOC)c1nnc(C2(c3ccccc3)CCC2)n1CCC(=O)N1CCOCC1 1760244412 UIAMPWUKODFEJK-UHFFFAOYSA-N 451.571 2.083 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H](C)CN2CCN(CC)CC2)CC1 1760264028 ZBJCFDZRARLGPK-RBZQAINGSA-N 485.721 2.226 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCS(C)(=O)=O 1760334255 XIYWEBMMKLBQAC-UHFFFAOYSA-N 454.622 2.075 30 10 JEEE C=C(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1760345229 OPVYCGYNPGDVGJ-SFHVURJKSA-N 499.641 2.359 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1ccc(OC)cc1)C1CC1 1760346153 KFYBJMDRVAERKC-FQEVSTJZSA-N 461.588 2.365 30 10 JEEE C=CCN(CC=C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCN1CCCS1(=O)=O 1760490090 PQDAPINFUWITDL-UHFFFAOYSA-N 458.588 2.361 30 10 JEEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(CC=C)Cc1cccc(C#N)c1 1760521582 XSJLFJVTRACUTB-UHFFFAOYSA-N 459.510 2.372 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 1760556889 SSPZNHPUTLWOLW-LJQANCHMSA-N 490.630 2.216 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C 1762301950 HNIOBORUEUUFHG-RDJZCZTQSA-N 463.583 2.181 30 10 JEEE CN(C)S(=O)(=O)c1ccccc1Cn1c(Cc2ccncc2)nnc1N1CCC(C#N)CC1 1768521981 CLCBZPJMSWVOOS-UHFFFAOYSA-N 465.583 2.302 30 10 JEEE Cn1c([C@@H](C#N)C(=O)CN2CCN(c3nnc(Cc4ccccc4)c(O)n3)CC2)nc2ccccc21 1859428241 QRWDAMMWEYNBHE-IBGZPJMESA-N 482.548 2.053 30 10 JEEE C=CCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CC(=O)N(c2cc(Cl)ccc2OC)C1 1861601525 BRTIQFJXTZEJGW-APWZRJJASA-N 471.941 2.437 30 10 JEEE COc1ccc([C@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2CCCNC=O)cc1O 1862575434 WPJZKJBHCFISSD-NRFANRHFSA-N 470.478 2.132 30 10 JEEE COc1ccc(Cn2nnc(C#N)c2NC(=O)c2ccc(N3C[C@@H](C(=O)O)CC3=O)cc2)cc1F 1870109541 XUGRODWIRRWLEC-HNNXBMFYSA-N 478.440 2.036 30 10 JEEE C=CCn1c(C(=O)NCCCn2ccnc2)cc2c(N3CCN(c4ccccn4)CC3)ncnc21 1873595528 HIRIKFZZHGSZAG-UHFFFAOYSA-N 471.569 2.356 30 10 JEEE COc1cccc(S(=O)(=O)NCc2ccc(C(=O)N3CCC[C@H]3C#CCN(C)C)cc2)c1 1891596504 MWUBAGKTXWOJHR-OAQYLSRUSA-N 455.580 2.343 30 10 JEEE COc1ccc(CCN=C(NC[C@H]2COCCO2)N2CCN([C@H](C)c3ccccn3)CC2)cc1 2087917907 JCZJPGNNUORTJR-QPPBQGQZSA-N 467.614 2.373 30 10 JEEE CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1 2180985842 UJFGYOWEMASVMV-SFHVURJKSA-N 465.400 2.442 30 10 JEEE CC(C)(C)OC(=O)NC1CC(O)(C(=O)NCCc2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2184212874 DJHRNFZJJLNMAT-UHFFFAOYSA-N 460.380 2.063 30 10 JEEE N#C[C@@H]1CN(S(=O)(=O)c2ccc(Br)cc2NN)CCN1Cc1ccccc1 2240030163 ANVMDGLUUHAOFL-MRXNPFEDSA-N 450.362 2.133 30 10 JEEE C=C(CS(=O)(=O)N[C@]1(COC)CCN(C(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2255794999 QYHWGTMZMOOZIE-HXUWFJFHSA-N 460.402 2.119 30 10 JEEE CN(CCCNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2255933894 VJEDPKNLQOOXAT-UHFFFAOYSA-N 475.442 2.119 30 10 JEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N(C)C[C@@H](O)CN(C)C(=O)OC(C)(C)C 2266993449 IBOAVRGJRVFZCC-OAHLLOKOSA-N 452.357 2.187 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CNC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)CC(F)(F)F 2267141255 WCMUKMLKAYGBMA-LLVKDONJSA-N 462.278 2.284 30 10 JEEE Cc1csc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2CO)c1B1OC(C)(C)C(C)(C)O1 2267151412 HXAPVCVTNKGNIP-HNNXBMFYSA-N 466.409 2.410 30 10 JEEE Cc1nc(C(=O)N2C[C@@H](NC(=O)C(F)(F)F)C[C@@H](C)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2267166839 YBRNXHGKWGBZKU-PWSUYJOCSA-N 461.315 2.280 30 10 JEEE Cn1cc(C(=O)NC2CC3(C2)C[C@H]3NC(=O)OCc2ccccc2)nc1B1OC(C)(C)C(C)(C)O1 2267501470 YJDKJTOHRMLSEG-WHEQYPTASA-N 480.374 2.297 30 10 JEEE Cc1sc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)c(C)c1B1OC(C)(C)C(C)(C)O1 2267576028 KSQVBDDPHDEKMQ-CABCVRRESA-N 466.409 2.374 30 10 JEEE CN(CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)C(=O)[C@@H]1C[C@@H]1B1OC(C)(C)C(C)(C)O1 2267580383 GAGZUIWBLLSHMK-CVEARBPZSA-N 451.373 2.006 30 10 JEEE COCC(C)(C)N(Cc1ccccc1)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2267713861 SDBFLJCXVIPTBQ-UHFFFAOYSA-N 463.409 2.335 30 10 JEEE CC(C)(C)OC(=O)NC[C@H](O)CCC(=O)N=c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)[nH]1 2268644507 QCHAENOKJJCLHA-CYBMUJFWSA-N 469.775 2.060 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N=[S@@](C)(=O)CCNC(=O)OC(C)(C)C 2269709069 LLPVOAZGEJSCHY-YTTGMZPUSA-N 467.397 2.452 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H]2CCN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)C[C@H]2C1 2281978828 JENFREWJJWURRI-HOTGVXAUSA-N 460.384 2.428 30 10 JEEE CCN(C(=O)OC(C)(C)C)[C@H]1CCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)c(C)nn2C)C1 2281986189 QTSSZSLWZZEKRI-INIZCTEOSA-N 462.400 2.499 30 10 JEEE Cc1c(C(=O)N2CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281990800 RKUVIGVJKBBKEX-ZBFHGGJFSA-N 462.400 2.403 30 10 JEEE CC(C)(C)OC(=O)N1CC[S@@](=O)(=NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C(C)(C)C1 2282097364 DTUKOAXYEJGWBO-XIFFEERXSA-N 482.412 2.346 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](NS(=O)(=O)c3cncc(B4OC(C)(C)C(C)(C)O4)c3)C[C@H]21 2282288920 TVQIQEWMARCMAL-KZNAEPCWSA-N 479.408 2.057 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CNS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1)C(F)(F)F 2282420329 XOGJREAIWVYSOG-CQSZACIVSA-N 495.329 2.115 30 10 JEEE C[C@H]1CC[C@@H](CNC(=O)C(F)(F)F)N(C(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)C1 2282513426 PYLKEQDHBXSYIU-KBPBESRZSA-N 455.286 2.300 30 10 JEEE Cc1c(C(=O)N2CC3(CC(NC(=O)OC(C)(C)C)C3)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282555217 PTIMPAPHYZZTBM-UHFFFAOYSA-N 460.384 2.157 30 10 JEEE CC(C)(C)OC(=O)N1CC(N2CCN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)cs3)CC2)C1 2282592427 CSTQZZYUFFHZSC-UHFFFAOYSA-N 477.436 2.424 30 10 JEEE Cn1nc(C(=O)N2C[C@H](CNC(=O)OC(C)(C)C)CC2(C)C)cc1B1OC(C)(C)C(C)(C)O1 2282629444 VYNLWPQUQFHXJK-HNNXBMFYSA-N 462.400 2.485 30 10 JEEE COC1(CCNC(=O)OC(C)(C)C)CN(C(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282671242 RLEQQXNEVXCSHZ-UHFFFAOYSA-N 461.368 2.137 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1C[C@@H](C)C[C@@H](NC(=O)C(F)(F)F)C1 2282682509 POMRZXALIVUNMQ-DZGCQCFKSA-N 457.302 2.336 30 10 JEEE C[C@@H]1CCN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1CNC(=O)OC(C)(C)C 2283059497 IOHOZVCGCCLZHP-CVEARBPZSA-N 460.384 2.399 30 10 JEEE COC(=O)c1[nH]c(C)c(C(O)=C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccccc2OC)c1C 2296933295 CRAYPVCUEHYCRV-JOCHJYFZSA-N 497.548 2.181 30 10 JEEE CN(C(=O)OC(C)(C)C)[C@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)CC1(C)C 2362356618 IFRNKPWCJCNMNI-HNNXBMFYSA-N 462.400 2.437 30 10 JEEE C[C@@H]1Cc2cc(/C(O)=C3/C(=O)C(=O)N(CCN4CCOCC4)[C@H]3c3cccc(O)c3)ccc2O1 102587409 HUDXMGLAYWAIDP-HWZJSLFJSA-N 464.518 2.470 30 10 JEEE Cc1c(Br)cccc1NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 608892520 BBTXTEWWURHKIC-UHFFFAOYSA-N 491.367 2.101 30 10 JEEE CC(C)CCCN1C(=O)[C@@H](CC(=O)NC2CC2)S/C1=N\Cc1ccc(S(N)(=O)=O)cc1 726403934 PADCPMWKCGMIEL-GLEDVZQVSA-N 466.629 2.239 30 10 JEEE COc1ccc(Cn2c(=C(C#N)C(=O)NC3CCCC3)sc(=Cc3cnn4ccccc34)c2=O)cc1 729671976 RZUFWJLPOLTOAO-UHFFFAOYSA-N 499.596 2.176 30 10 JEEE COCCn1c(=C(C#N)C(=O)Nc2cccc(Cl)c2C)sc(=Cc2cnn3ccccc23)c1=O 729672103 XFUXUTXYMBSBHY-UHFFFAOYSA-N 493.976 2.308 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)O[C@H](C)C(=O)N(C)C[C@H]3COc4ccccc4O3)cc2C1=O 853262477 XVAMYPCQTRAQEV-WBVHZDCISA-N 464.474 2.312 30 10 JEEE O=C(CSc1n[nH]c(NN=Cc2ccccc2[N+](=O)[O-])n1)NCc1ccc2c(c1)OCO2 1084576984 JOZABYUAAVOQOX-UHFFFAOYSA-N 455.456 2.296 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2CC2(CS(C)(=O)=O)CC2)c1 1286309076 HDEDUEWTWUXBIC-UHFFFAOYSA-N 478.578 2.221 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C)[C@H]1CCS(=O)(=O)C1 1286398856 RECMNNPSPNDQIK-IPMKNSEASA-N 495.646 2.306 30 10 JEEE C#CCN(CC#CC)c1nnc(Cc2cccnc2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1286428105 IZVJFBNPDOKXIE-OAQYLSRUSA-N 455.566 2.395 30 10 JEEE C#CCN(CCOC)c1nnc(Cc2ccsc2)n1CC(=O)N1CCN(c2ccccc2)CC1 1286467114 RBCALYPNLZDJIC-UHFFFAOYSA-N 478.622 2.365 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)c2nccs2)CC1 1286486556 OHZIUEYQMGTCKR-INIZCTEOSA-N 478.582 2.151 30 10 JEEE C=CCNC(=O)Cn1c(N2CCN(c3ccccc3F)C[C@H]2C)nnc1[C@]1(OCC)CCOC1 1286793619 ICKLPCLEJYPSIC-KOSHJBKYSA-N 472.565 2.087 30 10 JEEE C=CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCOC[C@@H]1C 1286826446 ICGNXROUKATVGG-INIZCTEOSA-N 451.618 2.340 30 10 JEEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](CC(C)C)C1 1286832328 RVJWXRGODSZQOU-MSOLQXFVSA-N 457.666 2.403 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](c1ccccc1Cl)N(C)C 1300270369 BTPOTHXCDCYLQW-HDMKZQKVSA-N 453.012 2.303 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1CCNC(=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1300486781 BCMAHAMOOJALCM-SFHVURJKSA-N 457.600 2.043 30 10 JEEE C#CCN(c1nnc(C2CCN(c3ncccn3)CC2)n1C/C=C\CC)[C@H]1CCS(=O)(=O)C1 1300495327 GFPXYWBEUOOHQW-PRPIBZDOSA-N 469.615 2.045 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1oc(CCC)nc1C)[C@H]1CCS(=O)(=O)C1 1300495530 IGYZGSDWHBLNFU-ZWKOTPCHSA-N 461.588 2.444 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1CCCSc1nccs1)[C@@H]1CCS(=O)(=O)C1 1300496750 UPSPEJMEVMNDLX-JKSUJKDBSA-N 467.642 2.048 30 10 JEEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1Cc1nnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1300503259 BYIOPOLVRAJKSX-GOSISDBHSA-N 486.623 2.309 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H](C)CN1CCN(CC)CC1 1300561442 RIJIAXSPPPJUEZ-QFIPXVFZSA-N 496.681 2.085 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc3cccnc23)n1CCS(=O)(=O)N1CCSCC1 1300571784 LQPQYFVMOZSGSK-UHFFFAOYSA-N 494.646 2.335 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@]2(C)CCO[C@H]2C2CC2)CC1 1300711232 UFTHFKAINYYQCD-LVXARBLLSA-N 484.645 2.368 30 10 JEEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1300751888 VKMXIIFZGPTYQG-UHFFFAOYSA-N 458.613 2.091 30 10 JEEE C=C(Br)Cn1c([C@H]2CCOC2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1300848002 ACOZPYUKKRTNHE-MSOLQXFVSA-N 481.439 2.214 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1300877582 YRIQDMOYYWEVDL-NRSPTQNISA-N 488.633 2.005 30 10 JEEE C=CCC(C)(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1301143129 DTIPRCUHELPLDQ-IBGZPJMESA-N 475.615 2.292 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 1301492692 NFTCSEMWNISLOW-QGZVFWFLSA-N 482.585 2.355 30 10 JEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 1301508513 NDZATRILDHOGJZ-KRWDZBQOSA-N 473.647 2.315 30 10 JEEE CC(C)(C)OC1CC(CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@](F)(C#N)C2)C1 1302297377 BZLLBJCSJSMHEO-JSNHQESWSA-N 498.625 2.037 30 10 JEEE CC(C)CCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(N(C)C)CCOCC1 1303066278 AGCGTDYUQPNBNB-IBGZPJMESA-N 466.652 2.057 30 10 JEEE Cc1nc(CN2CCN(c3nnc(-c4cccc(C#N)c4)n3CCCS(C)(=O)=O)CC2)oc1C 1304041346 GXEQUZSMKGPVOT-UHFFFAOYSA-N 483.598 2.179 30 10 JEEE CCOc1ccc(O[C@H](C)c2nnc(N3CC[C@](F)(C#N)C3)n2CCN2CCCS2(=O)=O)cc1 1314194973 DOGHHCCTGBKNLA-VGSWGCGISA-N 492.577 2.294 30 10 JEEE CS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(CC(=O)NC2CCCC2)CC1 1316359394 GJVNJBPGFDZGON-UHFFFAOYSA-N 499.641 2.031 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCOc1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 1358963563 KFEZRENQMLGIAZ-UXHICEINSA-N 458.584 2.186 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCN1C[C@@H](C)C[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1358967177 FQTLTSSVMSXQML-JSXRDJHFSA-N 463.648 2.124 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCOc1ccc(F)c(Cl)c1 1358984966 LWTRABYRTUKIHW-OAHLLOKOSA-N 467.954 2.223 30 10 JEEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CC(=O)N(c2ccccc2)C1 1358985641 CZJOGNAXIFDBKU-RLWLMLJZSA-N 461.566 2.446 30 10 JEEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 1359126848 AXNAEYCARGCFRP-OALUTQOASA-N 465.624 2.136 30 10 JEEE C=CC1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCCN(C)S(=O)(=O)CC)CC1 1359177399 LHGPBDZTPKOQMR-UHFFFAOYSA-N 499.641 2.266 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CCO[C@]2(CCOC2)C1 1359295220 UQWNIAKJCCWCPY-HXUWFJFHSA-N 462.348 2.006 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 1359330786 CVQRXYVTNDQQDJ-SFHVURJKSA-N 493.634 2.115 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1ccc(N2CCCCC2)nc1 1360693363 HKFRLVANLYCRKG-WZONZLPQSA-N 486.646 2.452 30 10 JEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(Cc3ccccc3)C(=O)CO2)C1 1455213049 SYAPLQPDXNUAES-NBGIEHNGSA-N 455.555 2.323 30 10 JEEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2nc3n(c2C(=O)OC(C)(C)C)CCOC3)c1 1472271778 AXRKSFZGXCXHDA-UHFFFAOYSA-N 459.524 2.418 30 10 JEEE CCC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)N2CCOCC2)CCO1 1500282848 DBTIIMAMQILSRC-UGKGYDQZSA-N 454.575 2.455 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(OCCC(C)C)CC1 1507588349 KLPFRBCVIAKXBA-HXUWFJFHSA-N 467.636 2.056 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1ccc(N(C)C)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1507630406 YHIYINRSPIYPEH-GOSISDBHSA-N 468.558 2.220 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1C[C@H](C)Oc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1507633256 CPJBAOGRVOYHKL-HKUYNNGSSA-N 458.584 2.333 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@@](C)(OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1507634060 KSGLFWNIYKSAMW-NZQKXSOJSA-N 460.575 2.450 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCO3)n1CC[C@H](N1CCOCC1)C(F)(F)F 1507645535 DUKSUUOUPUVXIO-FQEVSTJZSA-N 475.471 2.400 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1CCCCCS(C)(=O)=O 1507667716 QIUYTOWNEJMWJB-UHFFFAOYSA-N 466.567 2.272 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@]1(O)CCOC1 1507699762 KNOWZJNOKDHYGQ-RPWUZVMVSA-N 458.534 2.249 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CCCN2CCc3ccccc3C2)CC1 1507740805 FPRQRWWEKQSYKW-UHFFFAOYSA-N 464.614 2.229 30 10 JEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCCN(c2ncccc2F)CC1 1507836174 ZKKJVLPZZHIZFQ-UHFFFAOYSA-N 457.554 2.358 30 10 JEEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1507848017 STCHWDZHXVWVHM-VGOFRKELSA-N 461.588 2.247 30 10 JEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccc(OCCN(C)C)c2)CC1 1507882203 SOWWEBMLFZVIFA-GOSISDBHSA-N 462.620 2.033 30 10 JEEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@H]1CCOC[C@H]1OC 1539025175 FWPHBHJBGGHPBO-WPFOTENUSA-N 466.630 2.152 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCCO3)n2C[C@@]2(O)CCO[C@@H]2C)c1 1539042176 COMCDBWQTNGALX-YQOVMPOYSA-N 453.543 2.116 30 10 JEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H](C)N1CCC(C)CC1 1539153877 BWWACOHQRIJNFJ-IBGZPJMESA-N 458.632 2.385 30 10 JEEE C#CCN(c1nnc(-c2ccccc2)n1CCCN1C[C@H](C)O[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1539210848 GVLJWFKADCOZQJ-RZUBCFFCSA-N 471.627 2.071 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CC(C)(C)CC=C)[C@@H]1CCS(=O)(=O)C1 1539231763 WCJCBXTXUAGCRN-OTWHNJEPSA-N 450.605 2.231 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1Cc1ccn(C)n1 1539315131 FKLAJWCVZRNAEA-UHFFFAOYSA-N 454.538 2.481 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@]1(O)CCOC1 1539323143 DCPOLYIGZOABSM-CYFREDJKSA-N 457.575 2.007 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H](C)COC)CC1 1539470061 JESBYYBGBQUHIF-QGZVFWFLSA-N 455.559 2.211 30 10 JEEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](c2ccccc2C)C1 1539517458 OBPVGDHPXSRVNZ-PZJWPPBQSA-N 489.667 2.280 30 10 JEEE C=CCCCCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1539973739 CFHRLYSBTATTQS-UNMCSNQZSA-N 471.650 2.136 30 10 JEEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(Oc2c(OC)cccc2OC)CC1 1540853740 MCBJQZZCFRDWTJ-HNNXBMFYSA-N 465.576 2.139 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1540874506 IRSVGCIYJPHCDU-RUZDIDTESA-N 479.585 2.262 30 10 JEEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(CN2CCOCC2)CC1 1540907581 BLTFIFAKCMWNLA-UHFFFAOYSA-N 471.631 2.393 30 10 JEEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 1540909835 QLECAHVGNLJNTP-OWCLPIDISA-N 488.680 2.157 30 10 JEEE Cn1nccc1C(=O)N1CC2(CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)C[C@H]1C(N)=O 1548379529 DBXWSLVLWRHBMC-SFHVURJKSA-N 460.460 2.297 30 10 JEEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CC(O)(c3cccc(Br)c3)C2)c1 1557900898 GQEUCCWPSZHIDU-UHFFFAOYSA-N 451.342 2.257 30 10 JEEE C#CCN(CC(=O)Nc1nnc(NS(=O)(=O)c2ccccc2)s1)C(=O)OC(C)(C)C 1558914889 KWKVJTYAELXMJL-UHFFFAOYSA-N 451.530 2.148 30 10 JEEE C=CCOC[C@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1)C(=O)OC 1568152935 TWMPRTMVUOSIOG-SFHVURJKSA-N 454.451 2.240 30 10 JEEE C#CCN(c1nnc(C2CCCC2)n1CC(=O)N(C)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1588055449 VXOVXTCYCLFANS-OAQYLSRUSA-N 469.611 2.221 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@H](C)c1nccs1)[C@@H]1CCS(=O)(=O)C1 1588065332 WXIRVTDCPCRULT-FUHWJXTLSA-N 456.597 2.151 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCCCc2nc(C)cs2)CC1 1588752737 UJZCOUVGQJELJB-QHCPKHFHSA-N 458.632 2.473 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(NC(C)=O)cc2)CC1 1588864931 MEYCCCWKEKNEEG-UHFFFAOYSA-N 477.594 2.032 30 10 JEEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H](OC)C(C)(C)C1 1589008608 XPXZMAWILPMRQP-IBGZPJMESA-N 477.656 2.423 30 10 JEEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1CC[C@@H](SCC)C1 1589070542 UUSMEUUFSOXVDM-KURKYZTESA-N 487.717 2.088 30 10 JEEE C#CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](COC)C1 1589070665 VXHPKQRHSOVMIP-QZTJIDSGSA-N 465.620 2.426 30 10 JEEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1589088832 KGIALQXYCACLOB-OAQYLSRUSA-N 481.670 2.153 30 10 JEEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CCC(C)CC2)CC1 1593883985 AAQQXCTZPNHMNI-NKELODKYSA-N 487.070 2.064 30 10 JEEE C=CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1594733098 MZFITYJEUVBNTM-LJQANCHMSA-N 488.662 2.184 30 10 JEEE C=CCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1594760487 IZKHDHPFVSNBLG-LJQANCHMSA-N 466.586 2.268 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c(-c2noc3c2COCC3)nnc1N1CCN(C(C)=O)CC1)C(C)C 1595171526 WIVSNXSWKXNKSI-NRFANRHFSA-N 483.617 2.373 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCC(CN2CCOCC2)CC1 1595812442 TYBNTGAWMIBGQU-UHFFFAOYSA-N 465.664 2.160 30 10 JEEE CC(=O)N1CCN([C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CC(C)(C)CN(C)C)C[C@H]2C)CC1 1596267695 KLEYTKZFGHUBTN-YKSBVNFPSA-N 492.672 2.393 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)nc1 1619899634 DDYIJWDPZMGXIA-NRFANRHFSA-N 496.593 2.157 30 10 JEEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2([S@@](C)=O)CCC2)C[C@@H]1C 1619938930 HTHFRCINHQKHPF-HYHKQLJDSA-N 456.616 2.275 30 10 JEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2Cc3ccc(NC(=O)C(F)(F)F)cc3C2)cc1 1629256134 CUUOIQBKSPYSFR-UHFFFAOYSA-N 451.426 2.255 30 10 JEEE COCC(=O)NC1CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccc(F)cc2)CC1 1656980746 AZLNSGMPLSDTFF-UHFFFAOYSA-N 455.534 2.330 30 10 JEEE C#Cc1cccc(NC(=O)CNS(=O)(=O)[C@H]2CCCN(C(=O)c3cccc(Cl)c3)C2)c1 1659636714 IOILXAUFTBOAFO-FQEVSTJZSA-N 459.955 2.484 30 10 JEEE C=CCC1(O)CCN(C(=O)Nc2ccc(OCC)c(S(=O)(=O)N3CCOCC3)c2)CC1 1672546679 UNSPDTTXVLHWDL-UHFFFAOYSA-N 453.561 2.041 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(=O)NCCc1ccccc1 1689851043 LCQGZIOKPOCYAG-FQEVSTJZSA-N 472.597 2.269 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C/C=C/c1ccccc1)[C@H]1CCS(=O)(=O)C1 1689978285 RDPVZNJWYQIQKO-ZBWUASRJSA-N 476.562 2.266 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1nnc(C(C)(C)C)s1)[C@@H]1CCS(=O)(=O)C1 1689986163 JZNYTYNYLDMDLM-OAHLLOKOSA-N 471.612 2.164 30 10 JEEE C#CCN(c1nnc(C2CCC2)n1CC(C)(C)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1689988504 QIVUGHQWYDVJTQ-QGZVFWFLSA-N 465.620 2.476 30 10 JEEE C#CCN(c1nnc(CC)n1Cc1ccc(NC(=O)NC(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 1689993122 VYZUPUJJFUPTFU-LJQANCHMSA-N 458.588 2.045 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1OC(F)(F)F 1690019210 CWBORBADKAIEKZ-INIZCTEOSA-N 452.458 2.200 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2CCO[C@H]2C(=C)C)CC1 1690114729 FOLLJGRURDBQNF-IRLDBZIGSA-N 469.611 2.085 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2c(CC)nn(C)c2CC)CC1 1690146785 WTCNMWRKTSXZIX-LJQANCHMSA-N 467.618 2.045 30 10 JEEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1690183449 ZEKNMKMKVZPTML-FQEVSTJZSA-N 452.584 2.448 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](c1c(F)cccc1F)N(C)C 1690189770 BLCLDNOUJHABJD-FXCLAUTBSA-N 480.585 2.462 30 10 JEEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)c1cccc(O)c1 1690313141 MAHDMPPOOKHIFE-FXAWDEMLSA-N 479.603 2.107 30 10 JEEE C=C(Cl)Cn1c(COc2ccccc2OC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1690353996 ASSBNDKJTAQCFX-HNNXBMFYSA-N 460.922 2.091 30 10 JEEE C=CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1CCN1CCOC[C@@H]1C 1690611566 QKTGQJFQKLHBIN-INIZCTEOSA-N 467.412 2.406 30 10 JEEE CC[C@@H](C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCN1CCN(C)C(C)(C)C1 1694120824 HOCLWQHUIFNVRR-HXUWFJFHSA-N 465.650 2.411 30 10 JEEE CC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(C(N)=O)CCCC2)CCN1CCOC 1694922237 DRDWJYOHQQTMQX-OAQYLSRUSA-N 465.602 2.409 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@H](CC)N2CCCC2)c1 1705505562 QIRGRVPEJIRGGS-LEWJYISDSA-N 463.586 2.160 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1oc2ccccc2c1C)[C@@H]1CCS(=O)(=O)C1 1705559296 WTNANXNNVFNKIZ-QGZVFWFLSA-N 469.567 2.146 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1CC1(C(N)=O)CCCC1)[C@@H]1CCS(=O)(=O)C1 1705567968 DQLVIPPSKMIVPQ-HXUWFJFHSA-N 499.637 2.146 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCN1CCSCC1 1705575729 VEAHWYOQSXJAHJ-UHFFFAOYSA-N 455.584 2.093 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1CC(=O)N1CCOCC1 1705589781 WAMNSXOEZNQEOX-HXUWFJFHSA-N 465.554 2.139 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](CC)Oc2cccc(F)c2)CC1 1705643659 OESGOUJWSNUEFB-OAQYLSRUSA-N 496.587 2.477 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2cccnn2)CC1 1705693953 MLKHPKYSWCAGIO-GHTZIAJQSA-N 468.606 2.294 30 10 JEEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC2(CCN(C)C2=O)CC1 1705732026 LIKFPFZPEXFHTL-UHFFFAOYSA-N 487.626 2.390 30 10 JEEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1([S@](C)=O)CCC1 1705835503 MRKIPRYXXRGCRK-PMERELPUSA-N 450.634 2.470 30 10 JEEE C=CCN(CCOC)c1nnc(-c2cc(OC)ccc2Br)n1C[C@@]1(O)CCN(C)C1 1705882392 VPTHLHJHTJDJBX-OAQYLSRUSA-N 480.407 2.422 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@H](n2cncn2)C1 1705895656 OEAYVOQOLYPHEO-INIZCTEOSA-N 458.473 2.282 30 10 JEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 1705946970 WIFTYWFFDGQNCB-PKOBYXMFSA-N 483.704 2.477 30 10 JEEE COCC[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCS(=O)(=O)C2)C1 1712354762 HYYKSLMODJUCGH-VQTJNVASSA-N 473.599 2.416 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H](C)c1nccs1)[C@H]1CCS(=O)(=O)C1 1722366844 SZKTZQCAFLMQDY-FGSXEWAUSA-N 493.655 2.206 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CC1(CCOC)CC1)[C@H]1CCS(=O)(=O)C1 1722368031 YGMAWNFMRZCZQA-FQEVSTJZSA-N 460.575 2.451 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(Br)cc1 1722429430 QZYDVQYSJAGBQE-KRWDZBQOSA-N 481.416 2.271 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H]2CC=CCO2)CC1 1722436472 HOUHRBSNKZJCSK-NHCUHLMSSA-N 470.618 2.493 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2cc(Cl)ccc2OC)CC1 1722447309 HMMZVEJYKIQQDY-QGZVFWFLSA-N 457.962 2.458 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2COc3ccccc3O2)n1CCS(=O)(=O)NC(C)C 1722473380 UGFXGWNTLBECRP-SIKLNZKXSA-N 459.572 2.111 30 10 JEEE C=CCCCn1c(-c2cnccn2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1722614198 GDEXVVDKVCGCEF-BGYRXZFFSA-N 452.607 2.328 30 10 JEEE C=CCSCCn1c(-c2noc3c2COCC3)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1722737947 WZDUTTGFKCYTBQ-ZIAGYGMSSA-N 455.606 2.183 30 10 JEEE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3cccc(C#N)c3)n2CC2([S@@](C)=O)CCC2)C1 1722753640 FCCGVGLMFKHZQP-PSTIOWGYSA-N 454.600 2.423 30 10 JEEE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3ccc(C#N)cc3)n2CCCCN2CCC[C@H]2CO)C1 1722754169 HTIPEYQVFPJSIX-VWNXMTODSA-N 479.629 2.358 30 10 JEEE CC(C)(C)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CCC(=O)N1CCOCC1 1722912007 CRKWXRIIJKHMQA-UHFFFAOYSA-N 465.602 2.018 30 10 JEEE CC(C)CN1CCO[C@H](Cn2c(C(=O)N3CCCC3)nnc2N(C)Cc2ccc(C#N)cc2)C1 1723469881 BHEVMZWLJCECQX-QFIPXVFZSA-N 465.602 2.379 30 10 JEEE CCN1CCN(C[C@@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N(CC)[C@@H]2CCS(=O)(=O)C2)CC1 1728628638 FIWMWPHYTHYNLO-NFBKMPQASA-N 499.685 2.104 30 10 JEEE CCOCc1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1C[C@@H]1CC(=O)N(CCOC)C1 1728997349 AEAKKFZOBBEIPN-HXUWFJFHSA-N 464.570 2.475 30 10 JEEE CSc1ccc(CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@@H](C)CC#N)cc1 1731073945 CFSCCGZCANTCOO-QFBILLFUSA-N 478.644 2.314 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCSCc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1740622122 UVHNFSQPXDCCIP-LJQANCHMSA-N 488.614 2.378 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H](C(C)C)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1740622891 KHFWCYLFEULNEZ-HKBOAZHASA-N 463.648 2.267 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCc1cccnc1)[C@@H]1CCS(=O)(=O)C1 1740624180 DGBMGAHPRRJVPG-OAQYLSRUSA-N 453.543 2.272 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1CC[C@@H](C(F)F)N1CCOCC1 1740635448 WTJRCVXPMBYASC-IBGZPJMESA-N 471.508 2.145 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCO[C@H]1CCOC1 1740677548 WSIFYISEQMTWEA-CTNGQTDRSA-N 476.574 2.155 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@@H]2CCCN(C(C)C)C2)CC1 1740707083 ODGSAPSULXSARR-JOCHJYFZSA-N 463.630 2.350 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2cccnc2)n1CCN1CCN(C(C)=O)CC1 1740916828 YMMRLJDPZXXUFH-UHFFFAOYSA-N 484.608 2.492 30 10 JEEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1740952665 KIPZAIUSTKQWHB-NNWRFLSQSA-N 452.603 2.279 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](NC(=O)CC)C1 1740969100 KHHWSSADKOFIHW-PMACEKPBSA-N 487.626 2.288 30 10 JEEE CC[C@@H](C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC1(CS(C)(=O)=O)CC1 1743748722 HFQQGNXGNJKIJL-QGZVFWFLSA-N 457.604 2.210 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCOc1ncccc1F)[C@H]1CCS(=O)(=O)C1 1748809615 OUCRNXWLPPFQGR-INIZCTEOSA-N 490.948 2.233 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC1(SC)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1748814813 JJYSSBPPGAORFX-MSOLQXFVSA-N 468.645 2.059 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1CCc1nnc2n1CCCCC2)[C@@H]1CCS(=O)(=O)C1 1748817808 QWFATDYRAIMWCU-GOSISDBHSA-N 473.647 2.054 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@](C)(O)CCC(C)C)[C@H]1CCS(=O)(=O)C1 1748819027 IUEUINIWGUPFJJ-NZQKXSOJSA-N 459.616 2.078 30 10 JEEE C#CCN(c1nnc(COCC)n1CCC1=CCc2ccc(OC)cc21)[C@H]1CCS(=O)(=O)C1 1748824244 MIJLTQZCUHQENS-FQEVSTJZSA-N 470.595 2.480 30 10 JEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccnc(C(F)(F)F)c2)CC1 1748995179 ZDIYTYIXHVQLIZ-UHFFFAOYSA-N 458.492 2.357 30 10 JEEE C#CCSCCn1c(N2CCN(C(=O)OC)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1749048103 IOLCPBOXNFRKTL-CALCHBBNSA-N 478.619 2.304 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)Oc1ccc(F)cc1 1749066038 GIPDKHFCRRWOLB-XTQVGHSUSA-N 491.589 2.210 30 10 JEEE C=C(Cl)Cn1c(Cc2csc(C)n2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1749276982 WQVRJADPXRWHGY-HNNXBMFYSA-N 452.028 2.423 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C2CCOCC2)C1 1749368493 KPJSOMPAOVICGQ-UXHICEINSA-N 481.663 2.466 30 10 JEEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(Cc2ccccc2)C[C@@H]1C 1749677720 IRWCSPWCVZBOGF-IBGZPJMESA-N 493.637 2.283 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(Cc2cc(C)ccc2OC)CC1 1749740371 DGFVRTZNWMGQLO-JOCHJYFZSA-N 489.642 2.370 30 10 JEEE C[C@H]1CN(CCCn2c(N3CCN(c4nccnc4C#N)C[C@H]3C)nnc2C(C)(C)C)CCCO1 1752402255 FCMPMQPVAWGHJM-UXHICEINSA-N 481.649 2.453 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cccc(CS(C)(=O)=O)c1 1760098838 AMPVTYAQLBGAAQ-MBSDFSHPSA-N 460.600 2.370 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H]1CCOc2ccccc21 1760115653 BDQWWBBCOYABCV-BBTUJRGHSA-N 473.599 2.025 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(C)oc2ccccc12 1760234411 WITVIRQWIOUHTK-HXUWFJFHSA-N 457.556 2.173 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2C[C@]2(O)CCO[C@H]2C)CC1 1760254279 SIOBHYSONKOTLK-ZYLNGJIFSA-N 469.586 2.112 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H](CC)OC)CC1 1760266592 FHRGDFDTXHINAJ-KRWDZBQOSA-N 477.407 2.437 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2CC(F)(F)CO2)CC1 1760266714 KANDBLAAKOUHCM-HNNXBMFYSA-N 497.344 2.426 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC[C@@H](NC(=O)CC)C2)nnc1[C@]1(OCC)CCOC1 1760328180 RUTOTEWEYZIDIW-OBFMXLEASA-N 461.607 2.406 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1760334356 JNLCQPVZIBAAKD-LXZJYRNTSA-N 458.607 2.342 30 10 JEEE CC(C)N(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1761161848 BCYFYMZTWYKVHO-UHFFFAOYSA-N 478.645 2.291 30 10 JEEE CC(C)N1CCC[C@@H](Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCO[C@@H](C#N)C2)C1 1761184872 FNMCSNNUMNLOES-QUCCMNQESA-N 472.615 2.198 30 10 JEEE CCn1cccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(CCC#N)CCC(C)C)c1=O 1766966095 HRXUDCYKXDQFMD-LJQANCHMSA-N 460.604 2.176 30 10 JEEE CN(C)C(=O)CCn1c(-c2ccc(F)cc2Br)nnc1N1CCO[C@H](C#N)C1 1768444538 BFPUHXWCBSFSHD-CYBMUJFWSA-N 451.300 2.054 30 10 JEEE CCN(C(=O)c1nc(C(=O)Nc2cccc(C#N)c2)n2ccccc12)[C@H]1CCS(=O)(=O)C1 1858241942 LULCZGXMTCZXMI-KRWDZBQOSA-N 451.508 2.107 30 10 JEEE COc1cc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2CCCO)cc(OC)c1O 1862761285 HVMDBMCWXBMJQW-GOSISDBHSA-N 458.423 2.278 30 10 JEEE COc1cccc(Cn2nnc(C#N)c2NC(=O)CCCN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)c1 1870110725 GCZCIVCCCGVYHM-UHFFFAOYSA-N 489.448 2.130 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCCCN2C(=O)c3ccccc3C2=O)cn1C[C@@H](C)O 1870375995 UYCFUYZARPZEEZ-LJQANCHMSA-N 465.550 2.468 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)OCC(C)C)cn1CCCN1CCOCC1 1870423568 CDJOWBKKYTVZMY-UHFFFAOYSA-N 461.603 2.323 30 10 JEEE C=CCn1c(C(=O)N(CC)CCO)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873561035 RSLZWHYIQPSEOW-UHFFFAOYSA-N 464.570 2.407 30 10 JEEE CC(C)N1C(=O)CS[C@@H](C(=O)NCc2nnnn2-c2ccc(F)cc2)[C@H]1c1ccc(C#N)cc1 1891737615 WOFWJMBRDBIKGN-FGZHOGPDSA-N 479.541 2.383 30 10 JEEE CC(C)(C)OC(=O)N[C@H](C(=O)Nc1ccc(C#N)c(Br)c1)C1CS(=O)(=O)C1 2197527154 ZOAJSUBWMGZMKS-AWEZNQCLSA-N 458.334 2.197 30 10 JEEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](C)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 2222515826 NQDOCXZIQZTXLI-DGGJZMOXSA-N 453.580 2.417 30 10 JEEE Cn1nc(C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2255653938 PTCUQMCUBOAWTI-GFCCVEGCSA-N 454.764 2.112 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NOCCNC(=O)OC(C)(C)C 2255738911 ARJXMRBLXFSPRZ-UHFFFAOYSA-N 456.370 2.029 30 10 JEEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)C1(NC(=O)OC(C)(C)C)COC1 2256676966 SVKYZHYCWDMPRD-UHFFFAOYSA-N 452.382 2.299 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C1 2256736375 SVGTWRKIVXNFPQ-CHWSQXEVSA-N 453.370 2.453 30 10 JEEE CN(C[C@@H]1CCN1C(=O)OC(C)(C)C)S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2267379037 PPNNZFNUXLDEQN-INIZCTEOSA-N 467.397 2.011 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)Nc2nc(B3OC(C)(C)C(C)(C)O3)ccc2Cl)C1 2268785993 ODLACMNEGHHXHZ-NRFANRHFSA-N 467.759 2.345 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)c(F)c2)C[C@H](O)C1 2281763000 QWYNMHZQOMBZSS-INIZCTEOSA-N 464.343 2.179 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@H](O)CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)c(F)c2)C1 2281785185 JNHVBGHUKHEOJF-HOTGVXAUSA-N 464.343 2.225 30 10 JEEE CN(C)[S@](=O)(=NC(=O)[C@H]1C[C@H]1B1OC(C)(C)C(C)(C)O1)N1CCN(C(=O)OC(C)(C)C)CC1 2281925066 WKYRPXOPDWKRIO-NKIZNCFLSA-N 486.444 2.408 30 10 JEEE Cc1nn(C)c(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2C)c1B1OC(C)(C)C(C)(C)O1 2281977315 NOJHXGIZIHNWAQ-GDBMZVCRSA-N 462.400 2.403 30 10 JEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)CN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282042680 DHKSXNORYWWFJZ-HOTGVXAUSA-N 462.400 2.437 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2CCN(C(=O)OC(C)(C)C)C23CC3)n1 2282046365 KIKAURTWQJYOEO-OAHLLOKOSA-N 460.384 2.239 30 10 JEEE CC(C)(C)OC(=O)NCC12CC(CN1S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1)C2 2282491611 OERLRUDBUOHNJZ-UHFFFAOYSA-N 499.464 2.261 30 10 JEEE Cn1cc(C(=O)N2C[C@H]3CN(Cc4ccccc4)C[C@@]3(C)C2)nc1B1OC(C)(C)C(C)(C)O1 2282546079 KUFCLSPBVFLVOT-CLOONOSVSA-N 450.392 2.313 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2[C@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)n1 2282596460 BPYYSJWKTVJYFN-YQQAZPJKSA-N 460.384 2.187 30 10 JEEE C[C@H](CNC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 2282612207 CYFYWNZMJYDXKD-PEBXRYMYSA-N 481.424 2.180 30 10 JEEE CC(C)(C)OC(=O)N[C@]1(C(=O)O)CCN(C(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282677939 FZDUAYCNGIWGTL-HSZRJFAPSA-N 460.336 2.180 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](NS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CC1(C)C 2282858513 YENWEXILKGQGLJ-MRXNPFEDSA-N 481.424 2.447 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H]1CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(O)cc1O 2282973922 FJSILWKEEROJBA-ZIAGYGMSSA-N 462.352 2.288 30 10 JEEE CC1(C)OB(c2ccc(O)c(C(=O)N[C@@H](COCc3ccccc3)CC(=O)O)c2)OC1(C)C 2284454522 OEZFFSAFPQJBOK-GOSISDBHSA-N 455.316 2.481 30 10 JEEE CN(C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1)[C@H]1CN(C(=O)OC(C)(C)C)CC12CC2 2287017260 REQBFBCHFNBDRX-INIZCTEOSA-N 460.384 2.191 30 10 JEEE COc1ccc([C@H]2C(=C(O)c3c(C)n[nH]c3C)C(=O)C(=O)N2CCCN2CCOCC2)cc1 2296618201 GQXQMKBRWZWCLS-NRFANRHFSA-N 454.527 2.179 30 10 JEEE COc1ccc(NS(=O)(=O)CCN2C(=O)c3ccccc3C2=O)cc1B1OC(C)(C)C(C)(C)O1 2317465283 AFKWQRFPKGFXDN-UHFFFAOYSA-N 486.355 2.032 30 10 JEEE CC(C)(C)OC(=O)NC[C@H](CO)C(=O)NCc1sc(Cl)cc1B1OC(C)(C)C(C)(C)O1 2320682326 VMDNYBHCTQORBB-GFCCVEGCSA-N 474.816 2.450 30 10 JEEE CC(=O)NS(=O)(=O)c1ccc(NC(=O)C(=O)C=Cc2ccccc2Br)cc1 2325603849 WSUKWUZBVRZVCW-UHFFFAOYSA-N 451.298 2.495 30 10 JEEE COCc1nnc(SCC(=O)Nc2nccs2)n1N=Cc1cc2c(cc1[N+](=O)[O-])OCCO2 2331569416 VOGYKSNLOYOZRO-UHFFFAOYSA-N 491.511 2.173 30 10 JEEE CC1(C)OB(c2sncc2C(=O)NCC[C@H]2CN(Cc3ccccc3)CCO2)OC1(C)C 2337397925 IYEVUUYDTYZSSM-SFHVURJKSA-N 457.405 2.463 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2 2359267377 DGQOUYDUPWIQAQ-BZUAXINKSA-N 460.384 2.155 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 2362350182 PCCJKXIPYVLRCG-INIZCTEOSA-N 462.400 2.486 30 10 JEEE COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccccc2)cc1OC 102539485 QMAJNQRCCQSWPM-VFJWVMJUSA-N 452.507 2.458 30 10 JEEE CC(=O)OCC(=O)[C@]1(O)[C@@H](C)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 254294316 ISSQQUKLQJHHOR-YHSGILAISA-N 452.494 2.415 30 10 JEEE C=CCNC(=O)CN1CCN(C(=O)c2cc(OC)c(OC)cc2NC(=O)c2ccccc2)CC1 518035822 XQMLHXYYRHKWPG-UHFFFAOYSA-N 466.538 2.016 30 10 JEEE CC(=O)c1sc(NC(=O)C[S@](=O)CC(=O)Nc2sc3c(c2C#N)CCC3)nc1C 586344993 CHHGDCNORINKRT-GDLZYMKVSA-N 450.567 2.402 30 10 JEEE C=CCNC(=O)CN1CCN(C(=O)c2cc(Cl)ccc2NS(=O)(=O)c2ccccc2)CC1 589447563 KXDDNZTWEWVNOJ-UHFFFAOYSA-N 476.986 2.201 30 10 JEEE C#CCN(CC(=O)O)C(=O)[C@H]1OCC[C@H]1CNC(=O)OCC1c2ccccc2-c2ccccc21 757480623 RQGFQERKKMSHFG-XDHUDOTRSA-N 462.502 2.477 30 10 JEEE C#CCn1ccc(CN(CC)C(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)n1 1197085366 ZAHIQJYZTDJIFT-ROUUACIJSA-N 459.572 2.368 30 10 JEEE C=CCOc1ccc(CNC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)cc1 1221820849 ALOIHSQHSXSYIP-FQEVSTJZSA-N 452.559 2.346 30 10 JEEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](CNC(C)=O)C1 1286351187 BMJLNHFRANWTNJ-WOJBJXKFSA-N 474.606 2.352 30 10 JEEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CC1(CC(C)C)CC1)[C@H]1CCS(=O)(=O)C1 1286381754 GQATUJLHCTZLJV-WMZHIEFXSA-N 464.632 2.383 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1CC(=C)C)[C@H]1CCS(=O)(=O)C1 1286384042 PEFHTDKIGASKNJ-HNNXBMFYSA-N 452.378 2.249 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H]1CCCCC1(F)F)[C@H]1CCS(=O)(=O)C1 1286390227 YTWUVUAYWZCLLG-HOTGVXAUSA-N 450.515 2.187 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1cc(C)cc(OC)c1)[C@H]1CCS(=O)(=O)C1 1286393603 LOCNTUNVKLKLFS-PMACEKPBSA-N 458.584 2.164 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1C[C@H](c1cccs1)N1CCOCC1 1286464529 CDSCRDQOOLZMID-VQTJNVASSA-N 459.616 2.393 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCCS(C)(=O)=O)CC1 1286471068 GWTAOFIHXLDMBF-QGZVFWFLSA-N 466.007 2.261 30 10 JEEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(CCSC2)C1 1286534623 BQNBTMFSQGSDGN-WFASDCNBSA-N 450.428 2.130 30 10 JEEE C=C(Br)Cn1c(N2CCC[C@H](NC(C)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1286547512 HKHBZLRVXYIUSW-QFBILLFUSA-N 456.385 2.332 30 10 JEEE C[C@](O)(Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C(N)=O)C1)c1cccs1 1288904382 GVIUJNWTUALYIH-ZHRRBRCNSA-N 452.540 2.010 30 10 JEEE Cc1ccc(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2CCCn2cc(CO)nn2)cc1C 1289804804 CHQOJGQVDFDWCU-JOCHJYFZSA-N 454.510 2.090 30 10 JEEE C[C@H]1CN(CCCn2c(-c3cccc(C#N)c3)nnc2N2CCC(CC(N)=O)CC2)C[C@@H](C)O1 1291289330 IECVVMWABBDBEY-KDURUIRLSA-N 465.602 2.408 30 10 JEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)CC(=O)Nc1c(C)cc(C)cc1C 1300381481 SUZUCLRKWBWWKT-SFHVURJKSA-N 460.604 2.302 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCN(C)[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1300484065 QZHSKMDRAUFXDE-DOTOQJQBSA-N 497.463 2.393 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(Br)c2)n1CC1(O)CCS(=O)(=O)CC1 1300559768 ZPULCQLQZYCDFX-UHFFFAOYSA-N 491.411 2.110 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ccc(C)n(C)c2=O)CC1 1300731096 BLYDLFYVOXBOCK-FGZHOGPDSA-N 494.640 2.218 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCS(=O)(=O)C1 1300788833 NOVYFDZWVXIFAW-FZKQIMNGSA-N 452.378 2.463 30 10 JEEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(OCCN(C)C)cc2)CC1 1301085879 QBWKKHDXGJWYNI-FQEVSTJZSA-N 459.616 2.325 30 10 JEEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](c2ccnn2C)C1 1301187942 FNZZMRUOUHRKIF-AZUAARDMSA-N 477.635 2.085 30 10 JEEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2cccc(Br)c2)C1 1301429188 IXMHLYUGJQAXRM-CZUORRHYSA-N 470.393 2.415 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1301492681 MYQMONGGPIEBDN-UHFFFAOYSA-N 486.573 2.322 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(CCOC2)C1 1301530316 RWOPFHIFTBAZPW-JTSKRJEESA-N 461.588 2.118 30 10 JEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc([S@](C)=O)cc1 1301612283 KWRBZSGQBYSBEE-JWRCQZCYSA-N 468.670 2.473 30 10 JEEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)CC1 1302921345 DGRZRKZRIRMYOJ-UHFFFAOYSA-N 450.520 2.234 30 10 JEEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)c1 1309376558 QATOEWKHSNNVGZ-SFHVURJKSA-N 451.907 2.479 30 10 JEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1358913198 IISVJSVJPRITAJ-UXHICEINSA-N 459.620 2.109 30 10 JEEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1358921848 LFOJJMUPIVXTMM-GOSISDBHSA-N 474.407 2.192 30 10 JEEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCN(C)[C@@H]1c1cccs1 1358939551 YUOWTOWXFQASFJ-JZXOWHBKSA-N 450.634 2.102 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1cnn(-c2ccccc2)c1)[C@@H]1CCS(=O)(=O)C1 1358955023 CGGNMYMFRHIUGI-HXUWFJFHSA-N 452.584 2.436 30 10 JEEE C#CCN(c1nnc(C(C)C)n1Cc1ccc(N2CCOC2=O)cc1)[C@H]1CCS(=O)(=O)C1 1358955966 XQKRMUWGBOZOHF-IBGZPJMESA-N 457.556 2.033 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@](C)(OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1358959411 IKUPDWKNUZQANW-JPYJTQIMSA-N 458.584 2.396 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1CC[C@@H](C)N(C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1358961369 XLURMDDMVFJOLY-IRLDBZIGSA-N 493.637 2.272 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@@H]2CCCCS2(=O)=O)CC1 1359030891 JPAOFJPVQBGNRF-IBGZPJMESA-N 492.443 2.430 30 10 JEEE C#CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC(NC(C)=O)CC1 1359054785 HRFZVROIYHUJTG-UHFFFAOYSA-N 479.610 2.146 30 10 JEEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1359152235 PUUMQXBFXFDAGP-YCRPNKLZSA-N 482.969 2.370 30 10 JEEE C=C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C)CN2CCN(CC)CC2)CC1 1359158100 FNZMLBCESACUCZ-FQEVSTJZSA-N 452.607 2.355 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1359292694 VYNTVJWBCATCPD-JKSUJKDBSA-N 460.510 2.136 30 10 JEEE C=CCC(C)(C)C(=O)N(C)CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 1440911071 AHHNHSNRZWKGRL-UHFFFAOYSA-N 457.980 2.360 30 10 JEEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccc(CC(=O)N3CCN(C)CC3)cc2)c1 1442097904 XPJFQKROWYSQBX-UHFFFAOYSA-N 453.564 2.052 30 10 JEEE C#C[C@H](NC(=O)CNS(=O)(=O)c1ccc(C(=O)OCC)cc1)c1ccc(Cl)cc1F 1467935714 ZUJOVRXPJVFRQU-SFHVURJKSA-N 452.891 2.425 30 10 JEEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCSC2)C1 1502468722 DJEHCZOOLIFSOJ-HKUYNNGSSA-N 460.629 2.478 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCCCOCC)[C@H]1CCS(=O)(=O)C1 1507626009 MFFXRBLVPPKNRE-INIZCTEOSA-N 484.420 2.479 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1Cc1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1507637354 AOOKARCWVGUXBX-GOSISDBHSA-N 473.530 2.276 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccc(OC)cc2)n1CCc1nnc2n1CCCCC2 1507655633 MAGPASSNPRMYQZ-UHFFFAOYSA-N 459.554 2.499 30 10 JEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1507741221 NCHAPHNUPSBXEJ-UHFFFAOYSA-N 453.494 2.116 30 10 JEEE C=C(C)CN(CC)c1nnc(C(=O)Nc2ccccn2)n1CCc1ccc(S(N)(=O)=O)cc1 1507807797 NZBJQZQNQXSWGF-UHFFFAOYSA-N 469.571 2.218 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(=O)c2ccsc2)CC1 1507845166 XPROSDWOXPLEGV-IBGZPJMESA-N 493.655 2.187 30 10 JEEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1507848018 STCHWDZHXVWVHM-VGSWGCGISA-N 461.588 2.247 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H](C)[C@@H]1CC 1508135505 MLEDRZHKUUHJBA-XLIONFOSSA-N 495.671 2.421 30 10 JEEE C=C(Cl)C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1)C(=O)OCC 1535091776 SFDBDAMONAPPCB-GOSISDBHSA-N 458.964 2.286 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC[C@@H](C(F)F)N1CCOCC1 1538977152 SPTSCOKJZBHGIK-NPPFBWRTSA-N 455.550 2.133 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCCN2CCCC2)cc1 1539017185 YHTLQSXNLRVQCR-CTNGQTDRSA-N 471.627 2.161 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1Cc1cccc(CN(C)CC)c1)[C@H]1CCS(=O)(=O)C1 1539210415 DWTUCSILRNHNCT-QFIPXVFZSA-N 480.638 2.410 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCO[C@H]2CCCC[C@@H]2C)CC1 1539469643 SVCVDLUMIYIOAD-YBXDKENTSA-N 487.645 2.491 30 10 JEEE C#CCSCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1539518311 XNMDWZCTLTXFHW-SFHVURJKSA-N 497.687 2.382 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1CCNS(C)(=O)=O 1539539759 YENMDBCTHHQUGN-HTAPYJJXSA-N 461.588 2.358 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N(C)CC(=O)N1CCOCC1 1539643444 WCPNPXXSHRTHOB-WZONZLPQSA-N 473.549 2.272 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1539917293 SZEIZAXLAXKVAP-OALUTQOASA-N 481.663 2.345 30 10 JEEE C=CCN(CC=C)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@]1(O)CCS(=O)(=O)C1 1540164387 NKCDOKGGZUBHSB-JOCHJYFZSA-N 455.540 2.328 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](c2ccc(Cl)s2)C1 1540861674 BJIRSAPWOYPXAC-AWEZNQCLSA-N 464.979 2.109 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CCN(CC(F)F)CC1 1540865157 WXXQJGKLHFWYOE-UHFFFAOYSA-N 499.360 2.406 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCC[C@@H](COC)C1 1540869478 OLGWRWQNUGPTJD-GOSISDBHSA-N 479.585 2.230 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCOC2(CCC2)C1 1540898354 IDHOHJSRKPXERN-UHFFFAOYSA-N 470.393 2.396 30 10 JEEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCSC1 1554165023 GAXWMZIAMJCALV-UXHICEINSA-N 490.655 2.262 30 10 JEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 1556897646 PNVPDOKFZRLGEZ-HOCLYGCPSA-N 450.001 2.343 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)[C@H]2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)s1 1558830299 CPCIPWVJRAZMJJ-HWWDLCQESA-N 455.602 2.079 30 10 JEEE C#CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC(S(C)(=O)=O)CC1 1587754938 OWIRWNHXJQUKFS-UHFFFAOYSA-N 482.610 2.492 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1ccco1)Cc1ccco1 1587861016 FNFGOKGJIPPNSF-HXUWFJFHSA-N 473.555 2.417 30 10 JEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1ccc(NC(N)=O)cc1 1588089654 MMYQDEAVAGBAKM-UHFFFAOYSA-N 490.593 2.158 30 10 JEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1588159341 TWMAVBQDDZUKNV-LJQANCHMSA-N 489.605 2.011 30 10 JEEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1Cc1nnc2n1CCCCC2 1588251646 UBEAAFZPJFENJV-UHFFFAOYSA-N 462.583 2.099 30 10 JEEE C#CCN(CC#CC)c1nnc(COc2ccc(OC)cc2)n1CC1(N(C)C)CCOCC1 1588254379 VKNFWTGMAMYPII-UHFFFAOYSA-N 451.571 2.439 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC(=O)N1CCOCC1 1588594505 HXVLCYNIPRANDK-QGZVFWFLSA-N 457.600 2.076 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2COc3ccccc3O2)n1CCCNS(=O)(=O)CC 1589216762 WVTGJPCYUVFRPF-DENIHFKCSA-N 459.572 2.112 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1589548353 YROVWFVMWXVTLT-WCIQWLHISA-N 493.674 2.293 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCS(=O)(=O)CC1 1589578038 FGFVCCAZGJJCIE-WJFTUGDTSA-N 452.621 2.413 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC(N(C)C(C)=O)CC2)nnc1[C@]1(OCC)CCOC1 1589579973 NAKFHRJCNYTVKG-IZIIKQMZSA-N 461.607 2.359 30 10 JEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 1594679313 CXHKKEBGSGFFBN-INIZCTEOSA-N 481.022 2.357 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC(CN(C)Cc2ccccc2)CC1 1595529922 MVBWSDUHTMIYGM-UHFFFAOYSA-N 462.602 2.329 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1595536711 GBCTYKVOXTZTDK-FUHWJXTLSA-N 452.515 2.142 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCC(=O)NC(C)(C)C)C1 1595700617 PYVFTJAIPUQANA-LJQANCHMSA-N 465.562 2.007 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N(C)[C@H]1CCSC1 1595805757 TZSMPKIMVICCBY-MAUKXSAKSA-N 450.586 2.333 30 10 JEEE CCNC(=O)C(C)(C)Cn1c(C2CCCC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1615910829 GKEQZAJCIJZULG-QGZVFWFLSA-N 465.606 2.475 30 10 JEEE C=CCCCS(=O)(=O)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1622237147 NOLNNLXXLRCFEY-ZWKOTPCHSA-N 456.609 2.150 30 10 JEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H]1COc2cc(OC)ccc2C1 1624595303 GZIPGYFSXYNODJ-APWZRJJASA-N 457.552 2.412 30 10 JEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCN(C)C(=O)OC(C)(C)C 1689951412 WUKQAULSBVWAJL-UHFFFAOYSA-N 476.603 2.132 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC(C)(C)c1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1689991311 ZNLCYEPXHUFICT-UYAOXDASSA-N 472.611 2.395 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC[S@](=O)C(C)(C)C 1690000281 XTISFKJDJFJUBB-HKBQPEDESA-N 460.003 2.482 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccccc1)N(CC)CC 1690019964 VSNCTKBODBAWDS-VXKWHMMOSA-N 453.612 2.336 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1cccc(C(N)=O)c1 1690034528 KQZSJWNVNQREJS-UHFFFAOYSA-N 489.605 2.157 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC[C@H]1CCOC1 1690037250 ROAGUJASLHPOEB-IBGZPJMESA-N 455.584 2.085 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCOc2cccc(F)c2)CC1 1690136818 KEDQQVNVGACTPL-UHFFFAOYSA-N 491.527 2.109 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(CCOC)C(=O)C1 1690238964 PWLSPEHRGNVXMB-FDDCHVKYSA-N 485.585 2.239 30 10 JEEE C=C1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCS(=O)(=O)N(C)C)CC1 1690373785 JHIHRGGZZRQVDR-SFHVURJKSA-N 482.651 2.440 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCNC(=O)C1)C(C)C 1690581423 RIDICNKKQRFISE-IBGZPJMESA-N 452.559 2.309 30 10 JEEE C=CCOc1ccccc1Cn1c(-c2noc3c2COCC3)nnc1N(C)C[C@H](C)C(=O)NC 1690682336 LTHOYQIORXVXGB-INIZCTEOSA-N 466.542 2.437 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1690724753 VZPCOYCHCVMUEM-INIZCTEOSA-N 463.608 2.111 30 10 JEEE C=CCSCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN2C(=O)NC[C@H]2C1 1690737457 NFEALMNETBHBIJ-KRWDZBQOSA-N 458.588 2.485 30 10 JEEE N#CC1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CC(=O)NCC(F)(F)F)CC1 1698489979 FZJYOVQKYBBVEC-INIZCTEOSA-N 450.421 2.209 30 10 JEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(C(=O)NCC)cc1 1705551411 NELKBPYOAUCFIY-HXUWFJFHSA-N 482.585 2.454 30 10 JEEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1CC1(O)CCC1)[C@H]1CCS(=O)(=O)C1 1705568617 RNNUGPPIVKNNKT-IBGZPJMESA-N 458.584 2.016 30 10 JEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1CCN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1705570898 VGWCCNOXTIBYBK-QFIPXVFZSA-N 485.654 2.185 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2c[nH]c3ccccc23)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1705586334 FGKNWFQZQYRVSA-XMMPIXPASA-N 471.609 2.366 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCO[C@H]1C(=C)C 1705623167 ILBIWABRRDFCTA-FPOVZHCZSA-N 458.584 2.416 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC[C@H](C)N2CCCCC2)CC1 1705635060 PXGYAMLPOCJINV-DHLKQENFSA-N 458.651 2.338 30 10 JEEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 1705893855 IQMIXOJFOHZDAL-WDSOQIARSA-N 453.609 2.019 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC(Nc2cccnn2)CC1 1705896645 SSMGNIKKRDFADJ-UHFFFAOYSA-N 478.557 2.135 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](c2ccc(OC(F)F)cc2)C1 1705900665 LTPMUDVSGUDZRN-SFHVURJKSA-N 473.484 2.160 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCO[C@@H](C(F)(F)F)C1 1705932760 JZZHWNYMKRHPOA-MRXNPFEDSA-N 460.478 2.322 30 10 JEEE CCC(O)(CC)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1708824749 BLEMUKTXGGDQLQ-UHFFFAOYSA-N 495.628 2.024 30 10 JEEE CO[C@@H]1COCC[C@H]1Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N(C)[C@H](C)CC#N 1712095958 CXJKXLJWZUBPEZ-AOHZBQACSA-N 481.645 2.433 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2CC[S@](=O)CC)c1 1722307262 KSIBOOQICYTAKV-JGCGQSQUSA-N 450.568 2.089 30 10 JEEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@H](C(=O)NCCCC)C1 1722326576 IQIYGJYNBAKGHU-FQEVSTJZSA-N 461.574 2.467 30 10 JEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1(SC)CCN(C)CC1 1722343076 COQMSHUJAXYRHC-UHFFFAOYSA-N 475.688 2.443 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1nc(C(F)(F)F)cs1)[C@H]1CCS(=O)(=O)C1 1722361757 OXXFYGXQDXXCCG-LBPRGKRZSA-N 470.502 2.424 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@H](OC)C2CC2)CC1 1722433129 MFTUGSRXISHLDI-NRFANRHFSA-N 455.559 2.151 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC[C@@H](C(F)F)N1CCOCC1 1722433265 YSRSUAUYVHIXBG-FQEVSTJZSA-N 499.566 2.490 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@](C)(O)CCOC)CC1 1722443689 ZFWCRJAMTJZTDK-QHCPKHFHSA-N 477.968 2.491 30 10 JEEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2ccnc(C)n2)CC1 1722493576 IWAIDSWQIDMGAB-WMZOPIPTSA-N 478.395 2.336 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2OC)n1C[C@H]1CC(=O)N(CCOC)C1 1722498124 PRCSSVFNYBFFOI-UQBPGWFLSA-N 467.570 2.353 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(N2CCCC2=O)c1 1722502743 VXGYYOHEYCEHAM-QGZVFWFLSA-N 460.604 2.466 30 10 JEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1722686139 RKABLNUMTVAIDJ-OALUTQOASA-N 489.621 2.355 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1Cc1cnn(C)c1C)[C@@H]1CCS(=O)(=O)C1 1740616629 DJRMHPFIAKATGM-PKOBYXMFSA-N 486.573 2.274 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCCc1ccccc1F)[C@H]1CCS(=O)(=O)C1 1740621324 LREAGEAEHYKGIS-IBGZPJMESA-N 456.547 2.077 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCNS(=O)(=O)c1ccc(C)s1 1740633476 JKFASJMOSLQYRQ-UHFFFAOYSA-N 484.563 2.275 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccc3c(c2)COCC3)CC1 1740700961 OZRYICUAGHPNKQ-UHFFFAOYSA-N 492.624 2.283 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2C[C@@H](c2ccccc2)N2CCOCC2)CC1 1740702170 IVTIFGNDANDDRB-QHCPKHFHSA-N 464.614 2.441 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2CC(C)(C)N2CCOCC2)CC1 1740703492 VEIZHNQUAJRLMQ-UHFFFAOYSA-N 480.613 2.030 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2CC2([S@@](C)=O)CCC2)CC1 1740708207 GSDSASNDNDEAET-MGBGTMOVSA-N 467.639 2.330 30 10 JEEE C#CCSCCn1c(CCc2ccc(OC)cc2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1740719793 LPCVDKBKUHCYRA-JOCHJYFZSA-N 496.637 2.205 30 10 JEEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@H](NC(=O)OCC)C1 1740792673 KVCNFUZQRLLNHG-INIZCTEOSA-N 460.535 2.313 30 10 JEEE C=C(Cl)Cn1c(N2CCN(CC(=O)Nc3cc(C)on3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1740817054 TVHWYBFTXDBGPQ-JOCHJYFZSA-N 493.996 2.128 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)NCC1CC1 1740921089 KUIWSOQVGGMJOF-SFHVURJKSA-N 461.563 2.038 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1740955469 VKAMMBRYTZBUET-QGZVFWFLSA-N 484.601 2.396 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[C@H](N2CCCC2=O)C1 1740955595 ZBHJBZLRYRCIBC-IBGZPJMESA-N 482.585 2.244 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1740956920 VLYUTGTVTSAXRH-PXNSSMCTSA-N 489.020 2.456 30 10 JEEE CC(=O)N1CC[C@H](CN(C)c2nnc(COc3ccc(C#N)cc3)n2CC2(C(N)=O)CCCC2)C1 1741030819 FTYXCQVBBRUUFS-HXUWFJFHSA-N 479.585 2.079 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1Cc1ccccc1-c1cnn(C)c1 1741919026 DSLXRZAWHTVQGQ-KRWDZBQOSA-N 482.614 2.467 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccccc1S(=O)(=O)N(C)C 1748642964 SBIWJPIJWQAISK-FDDCHVKYSA-N 475.615 2.075 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1748802929 UFFUMAIXFPQIIE-HXUWFJFHSA-N 485.610 2.079 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H]1CCO[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1748808909 IPIWHJYHPYELEO-IPMKNSEASA-N 488.610 2.404 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@]1(O)CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1748809186 KJBSCCPCGIZDGD-LLJLJFOGSA-N 488.610 2.140 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccc(Cl)cc2Cl)n1CCN1CCCS1(=O)=O 1748860376 WWNYRTMLNAWAOY-UHFFFAOYSA-N 482.393 2.272 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1C[C@@H]1C[C@@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1748886674 LGNWOHMFOSPPBJ-DYXWJJEUSA-N 477.569 2.222 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@](C)(O)c2ccccc2)CC1 1749009256 HBXJUMJAOXSIPN-NLFFAJNJSA-N 451.571 2.046 30 10 JEEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1749115489 RJQWFPMSUORAMF-KBXIAJHMSA-N 465.414 2.169 30 10 JEEE C=C(Cl)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1749257917 GBIWAJZCZATSEK-HNNXBMFYSA-N 455.968 2.233 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@]2(CCOC2)C1)C(C)C 1749557986 QABMAPRTCCVYRL-YZUZCNPQSA-N 477.675 2.496 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1749730971 XOKZQWCJVVVROX-DLBZAZTESA-N 493.634 2.019 30 10 JEEE CS(=O)(=O)N1CC[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(CC#N)CC2)C1 1750208505 FGOCLPWBUXZPJW-LJQANCHMSA-N 453.572 2.228 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1CCc1ccncc1 1751218454 DSTBVPMZRORERC-GOSISDBHSA-N 495.609 2.445 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3csc(C)n3)n2CC[C@H]2COCCO2)c1 1760127533 CITYYYDYHFJDBI-NRFANRHFSA-N 480.594 2.496 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CC(=C)Cl)[C@@H]1CCS(=O)(=O)C1 1760181060 PAZHOYRSDJJRDQ-CYBMUJFWSA-N 458.769 2.415 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H](C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 1760182075 BKHSKFXWDQOXON-KNQAVFIVSA-N 466.611 2.175 30 10 JEEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC1([S@](C)=O)CCC1 1760206874 PIBPUJYEZUFTJG-UMSFTDKQSA-N 478.666 2.017 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc2c(c1)C(=O)NCC2 1760235679 UFFIIHTZUHPUHH-NRFANRHFSA-N 494.596 2.380 30 10 JEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 1760450271 HRTRJBGWEHMCAF-IBGZPJMESA-N 489.646 2.013 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1Cc2cccc(Br)c2C1 1760547384 JSFCMVSPNKGFMM-UHFFFAOYSA-N 494.415 2.398 30 10 JEEE CCCCn1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@H](C(N)=O)C2)c(C)n1 1765811884 GOWQHRTXMKZPMZ-IBGZPJMESA-N 462.558 2.394 30 10 JEEE C[C@H]1C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@]34O[C@@H]4C[C@@]2(C)[C@]1(O)C(=O)COP(=O)(O)O 1848437855 MQIPOTRPMRQLSW-VIKPYWTQSA-N 452.440 2.081 30 10 JEEE COc1cc([C@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2CCNC(C)=O)cc(OC)c1O 1862421596 LGWKSQRWCYQLLR-IBGZPJMESA-N 476.432 2.402 30 10 JEEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1[N+](=O)[O-] 1862754356 JXEVHNNRKQSMPV-SFHVURJKSA-N 454.395 2.217 30 10 JEEE CCC[C@@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc(N2CCN(C)CC2)cc1 1869928350 JFIKOCFGCKGYKD-HXUWFJFHSA-N 455.584 2.284 30 10 JEEE COc1cc(C(=O)NCC(=O)Nc2c(C#N)nnn2-c2ccc(Cl)cc2C)cc(OC)c1OC 1870140522 WKADTRMLUWSTTI-UHFFFAOYSA-N 484.900 2.495 30 10 JEEE C=CCn1cc(OCc2ccc(C(=O)OC(C)C)cc2)c(=O)cc1CN1CCN(CCO)CC1 1870326521 TZYHQJZAOKXTRV-UHFFFAOYSA-N 469.582 2.288 30 10 JEEE CCN1CCN(Cc2cc(=O)c(OCc3ccc(C#N)cc3)cn2CCCN2CCOCC2)CC1 1870349642 WGPFOYUHWALSTK-UHFFFAOYSA-N 479.625 2.159 30 10 JEEE CN(C)[C@H](Cn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CN1CC(O)C1)c1ccc(O)cc1 1870350783 WEWADSCDHOQIJN-RUZDIDTESA-N 474.561 2.484 30 10 JEEE C#CCOc1cn(C[C@@H](c2ccc(O)cc2)N(C)C)c(CN2CCN(C(=O)OCC)CC2)cc1=O 1870561364 JZKDGVDLNITBJO-QHCPKHFHSA-N 482.581 2.143 30 10 JEEE C#CCOc1cn(CCN2CCOCC2)c(CNc2ccc(I)cc2)cc1=O 1871004628 PRHMITLXDOQUSX-UHFFFAOYSA-N 493.345 2.409 30 10 JEEE CC(C)N1CCN(CC#CCOC2CCN(S(=O)(=O)Cc3cc(F)cc(F)c3)CC2)CC1 1889670780 GMYQSWZFAAOCOD-UHFFFAOYSA-N 469.598 2.305 30 10 JEEE COc1ccc([C@@H]2[C@@H](C(=O)N(C)C3CN(c4nccnc4C#N)C3)SCC(=O)N2C(C)C)cc1 1891340006 GCPWIJUIJRENLV-YADHBBJMSA-N 480.594 2.098 30 10 JEEE COCCn1c(C(=O)N2CCN(c3cccc(C#N)c3)CC2)cc2c(=O)n3ccccc3nc21 1891840815 UZXUHPSSNFIAPT-UHFFFAOYSA-N 456.506 2.130 30 10 JEEE N#Cc1ncccc1OCC1CN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)C1 1891895710 DYWDGFWTNYGNTG-QGZVFWFLSA-N 458.515 2.030 30 10 JEEE C#CCOCCOCCNC(=O)c1ccc(Br)cc1I 2207030428 XHXVBHCCJUUFHV-UHFFFAOYSA-N 452.086 2.450 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CC[S@](=O)(=NC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)C1 2255642377 FBPSYPBAVDZRGS-ZDUYTPDQSA-N 471.410 2.348 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@](CO)(NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2255707081 RLBRPJFEJHRJSP-NRFANRHFSA-N 452.382 2.149 30 10 JEEE Cc1ccc(S(=O)(=O)NCCCNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2255739812 QDOJHUSNCDLAHG-UHFFFAOYSA-N 454.398 2.487 30 10 JEEE CON(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2255834349 GIJFSOJTZBYWPA-CYBMUJFWSA-N 453.370 2.455 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(CNC(=O)CN(CCO)C(=O)OC(C)(C)C)s1 2256623797 GTLOYKRFGCZJIM-UHFFFAOYSA-N 454.398 2.201 30 10 JEEE Cn1ncc(C(=O)N2CCC[C@H](NC(=O)OCc3ccccc3)C2)c1B1OC(C)(C)C(C)(C)O1 2264011099 OPCSZKRVUZXPDF-SFHVURJKSA-N 468.363 2.250 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)C[C@@H]1CCO 2267285351 GVQCCESHUUZVRC-HNNXBMFYSA-N 450.341 2.023 30 10 JEEE CC(C)(C)OC(=O)N[C@]1(CO)CCCN(C(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)C1 2267288306 ALOQLMFAFBAKMB-JOCHJYFZSA-N 450.341 2.071 30 10 JEEE CN(C[C@H]1CN(C(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)CCO1)C(=O)OC(C)(C)C 2267546676 ADOOXPOKAKFAAV-AWEZNQCLSA-N 467.397 2.150 30 10 JEEE Cn1ncc(C(=O)N2C[C@H](NC(=O)OC(C)(C)C)CC(C)(C)C2)c1B1OC(C)(C)C(C)(C)O1 2281828921 QUVZACUXZDHRLN-OAHLLOKOSA-N 462.400 2.485 30 10 JEEE Cc1cnc(C(=O)N2CC[C@H](C)[C@H](NC(=O)C(F)(F)F)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2281949177 GMLNJAZGJMZUPC-DZGCQCFKSA-N 455.286 2.218 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2CN(C(=O)[C@H]3C[C@H](B4OC(C)(C)C(C)(C)O4)C3)CCN2C1=O 2281951996 QFABEZCIYCAQSX-LUKYLMHMSA-N 463.384 2.195 30 10 JEEE Cc1cc(C(=O)N2CCC(O)(CNC(=O)OC(C)(C)C)CC2)oc1B1OC(C)(C)C(C)(C)O1 2281962458 ZIAMAKMZDQZVOR-UHFFFAOYSA-N 464.368 2.379 30 10 JEEE Cn1nc(C(=O)N[C@@H]2C[C@H](CNC(=O)OC(C)(C)C)C2(C)C)cc1B1OC(C)(C)C(C)(C)O1 2281970068 CAVKAJBYGWFCOV-GDBMZVCRSA-N 462.400 2.389 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@H]2CCN(C(=O)c3ncsc3B3OC(C)(C)C(C)(C)O3)C[C@H]21 2282022521 UMRNTOBJMIUXEM-HUUCEWRRSA-N 479.408 2.293 30 10 JEEE Cc1cc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)sc1B1OC(C)(C)C(C)(C)O1 2282327492 IVONPOMGJYEIHR-HNNXBMFYSA-N 497.448 2.489 30 10 JEEE C[C@H]1CC[C@H](NC(=O)C(F)(F)F)CN1S(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2282339309 UDSLXKOTKPUQDW-KBPBESRZSA-N 476.326 2.206 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@](O)(CNC(=O)c2cccc(F)c2B2OC(C)(C)C(C)(C)O2)C1 2282412687 SYXOLLHLBZEROX-QHCPKHFHSA-N 464.343 2.227 30 10 JEEE Cn1nc(C(=O)NC[C@@H]2CCN(C(=O)OC(C)(C)C)C23CC3)cc1B1OC(C)(C)C(C)(C)O1 2282626620 CXNJJSMHWMPCIN-HNNXBMFYSA-N 460.384 2.239 30 10 JEEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@H]2CCOC[C@H]2OCc2ccccc2)OC1(C)C 2282836658 NDPSCWVNYSTJJM-PKOBYXMFSA-N 494.444 2.236 30 10 JEEE Cc1nc(S(=O)(=O)N(C)C2CC(OCc3ccccc3)C2)c(B2OC(C)(C)C(C)(C)O2)n1C 2282845337 QTSORPGXIZQPIC-UHFFFAOYSA-N 475.420 2.396 30 10 JEEE CC1(C)OB(c2ccsc2S(=O)(=O)N2C[C@H]3CC[C@H]2[C@H](NC(=O)C(F)(F)F)C3)OC1(C)C 2282864402 FQXORXQYQTYMMX-YUTCNCBUSA-N 494.366 2.267 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H](COCc2ccccc2)C(=O)O)c1 2284330808 GUKKKJPBPICCLY-FQEVSTJZSA-N 455.316 2.394 30 10 JEEE CN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2301497338 RXRWUVZMTYPHSV-VQTJNVASSA-N 451.633 2.426 30 10 JEEE Cn1ncc(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2336900903 WYCJKOXCIHWRLL-OAHLLOKOSA-N 450.389 2.389 30 10 JEEE Cc1scc(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)c1B1OC(C)(C)C(C)(C)O1 2343505249 DDVVGVAOTFUHBL-ZBFHGGJFSA-N 466.409 2.313 30 10 JEEE Cn1ncc(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 2359276367 MMAGRCCVQRJJQT-JYYAWHABSA-N 460.384 2.141 30 10 JEEE C[C@@H]1C[C@H](CNC(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)CN(C(=O)OC(C)(C)C)C1 2362348120 NHFJTKJLPCKPBV-HZPDHXFCSA-N 462.400 2.342 30 10 JEEE C[C@H]1CCCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)[C@@H]1CNC(=O)OC(C)(C)C 2362352196 BMCAVHSTKNFHSW-JKSUJKDBSA-N 462.400 2.485 30 10 JEEE Cc1cc(CN2CC(C(N)=O)(N(C)C(=O)OC(C)(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2369734362 YLEIQCVJFNJARV-UHFFFAOYSA-N 459.396 2.201 30 10 JEEE N#C/C(C(=O)c1ccccc1)=c1/s/c(=C\c2ccccn2)c(=O)n1Cc1ccc2c(c1)OCO2 9562216 CWCDUCDKFQTWRD-CFIHLRJKSA-N 467.506 2.468 30 10 JEEE CCCCCCCCO[C@@H]1O[C@@H]([C@H](COC(C)=O)OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 102209799 YQYGIWWSRQRBBQ-KNOXWWKRSA-N 460.520 2.447 30 10 JEEE COCCCNC(=O)/C(C#N)=c1/s/c(=C/c2ccc(C)o2)c(=O)n1-c1ccc(C)cc1C 105752386 IYXLBDNKXWIJRC-YVAHTRSFSA-N 451.548 2.073 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](N(C)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 204866348 YTIOHAGRLOMMEZ-WMZOPIPTSA-N 489.426 2.116 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)C[S@@](=O)CC(=O)Nc2cc(C)ccc2OC)nc1C 586291391 QGRSYPMKPNYBSG-HKBQPEDESA-N 465.553 2.437 30 10 JEEE CCOc1ccc(C=NNc2nc(SCCC(=O)Nc3ccc(S(N)(=O)=O)cc3)n[nH]2)cc1 1084443047 HSKIHKCLOUJJKO-UHFFFAOYSA-N 489.583 2.418 30 10 JEEE N#Cc1c(NC(=O)CSc2nnc(NN=Cc3ccc(O)cc3O)n2N)sc2c1CCCC2 1084548838 GCGKYVDQDGZFQQ-UHFFFAOYSA-N 484.567 2.392 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1CCc1ccn(C)n1)[C@H]1CCS(=O)(=O)C1 1286383641 DNQYCLFTUYYHIC-HKUYNNGSSA-N 486.573 2.160 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC2(C(=O)NCC)CCC2)CC1 1286489045 CUFGQUHOLNQSQN-UHFFFAOYSA-N 484.004 2.266 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccc2OC)nnc1N1CCCN(S(C)(=O)=O)CC1 1286560665 HOKBMGSOEOZOQY-WIYYLYMNSA-N 475.615 2.407 30 10 JEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)Nc2c(C)cccc2C)CC1 1286606301 LZDQUNNDGGPOHM-OAQYLSRUSA-N 495.628 2.199 30 10 JEEE C=C(C)COCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1286608965 WHGVZTLUIZMZES-KOSHJBKYSA-N 490.605 2.038 30 10 JEEE C=C1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC2(O)CCOCC2)CC1 1286646652 UEWWFFSMBAJNND-GOSISDBHSA-N 463.579 2.284 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCNC(=O)c2ccccc2F)CC1 1286663052 FIGDKOMMLOVLJM-KRWDZBQOSA-N 461.563 2.152 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1286821065 ZNTQNMOTPDJZSX-HNNXBMFYSA-N 483.532 2.143 30 10 JEEE Cc1ccc(SCCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@@H](C)CC#N)cc1 1289883186 CNILRHWHLMJCIZ-PKOBYXMFSA-N 478.644 2.450 30 10 JEEE CCOc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H](C(C)C)N2CCOCC2)cc1OC 1296762930 CFGPIEWVOGDHGY-NHCUHLMSSA-N 484.601 2.438 30 10 JEEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCO[C@H](Cn2cccn2)C1 1300391212 JLBNGRYNUBCXFC-IBGZPJMESA-N 466.542 2.486 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1cccc(NC(=O)OC)c1)[C@H]1CCS(=O)(=O)C1 1300486744 AJILWXTZKSPCSZ-IBGZPJMESA-N 480.550 2.193 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@H]1CC(F)(F)CO1)[C@@H]1CCS(=O)(=O)C1 1300498054 GFNBULXCJMXYHG-HUUCEWRRSA-N 486.491 2.198 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)c1cccc(OC)c1 1300556065 BJHCROWJYPVUGK-SFHVURJKSA-N 457.600 2.338 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Cl)n2C[C@]2(O)CCO[C@H]2C)CC1 1300719272 UPJYXWMPDLHVEO-QMHKHESXSA-N 457.962 2.104 30 10 JEEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1301137764 XMLNWJXJOBQBES-ROUUACIJSA-N 481.667 2.073 30 10 JEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N(C)Cc1cnn(-c2ccccc2)n1 1301508756 TYMYWLZFSMMEMQ-UHFFFAOYSA-N 463.571 2.153 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[C@H](C)N2CCCCC2)C1 1301556604 INIYOKZJPOCFCD-SLFFLAALSA-N 451.637 2.226 30 10 JEEE C=CCCSCCNC(=O)N1CCCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1312977044 MCKQBFSMCVSHEH-UHFFFAOYSA-N 455.602 2.173 30 10 JEEE CCOc1ncccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(C#N)cc1 1314230195 GTSSYUXKSAVLMS-INIZCTEOSA-N 469.571 2.238 30 10 JEEE CCS(=O)(=O)N(C)CCCn1c(COc2cccc(C)c2)nnc1N1CC[C@@](F)(C#N)C1 1314541679 AFRYMCYRKZXOAU-OAQYLSRUSA-N 464.567 2.279 30 10 JEEE COCCN(CCC#N)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1COCCO1 1316101112 HAROTJRJUYLNAA-RBUKOAKNSA-N 478.594 2.174 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2C[C@H]2CCOC[C@@H]2OC)c1 1358901700 UGUPRVNEEOIARL-KNQAVFIVSA-N 460.538 2.448 30 10 JEEE C#CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@H](C)O[C@H](COC)C1 1358910748 ZMPHTVYFXQUQAF-ROUUACIJSA-N 450.543 2.236 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc3ccccc3n2)n1CCOCCS(C)(=O)=O 1358989851 RRCCZQGSEFZIMS-UHFFFAOYSA-N 451.552 2.017 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1OC1CCCC1 1359010350 MUYRVQKEHIDXHS-QFIPXVFZSA-N 487.626 2.440 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H](C)c1ccc(OC)cc1 1359010578 UCYKVBCFAWAFIY-NQIIRXRSSA-N 475.615 2.273 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccnc(OCC(F)(F)F)c1 1359010794 ZOBIWRLGUCLMTM-HNNXBMFYSA-N 457.478 2.024 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1359084045 WUXWHRITKTXOPK-LZQZEXGQSA-N 481.439 2.070 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Nc2cnn([C@H]3CC3(F)F)c2)nnc1[C@@H](C)NS(C)(=O)=O 1359106157 YGVPYRPNSYMFFY-VDERGJSUSA-N 471.534 2.390 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC(c2ccnn2C)CC1 1359292898 AFVQGVIMGGJPLJ-UHFFFAOYSA-N 487.406 2.466 30 10 JEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N(C)Cc1ccc(Cl)c(F)c1 1359334617 LQWQSLRCHOHIKZ-UHFFFAOYSA-N 469.970 2.430 30 10 JEEE C#C[C@H]1COCCN1C(=O)CCc1nc2cc(S(=O)(=O)N3CCCC3)ccc2n1CCC 1451196534 QOFWMTXJRDYBRO-SFHVURJKSA-N 458.584 2.024 30 10 JEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CSC[C@@H]1C(=O)N1CCSCC1 1464546300 UKACZNDCLNBBFA-UONOGXRCSA-N 450.026 2.499 30 10 JEEE C=CCC[C@@H](NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)OCC 1468125686 OHHQLEWAKVFXMV-MSOLQXFVSA-N 453.517 2.152 30 10 JEEE CN(C)S(=O)(=O)c1ccccc1CNC(=O)NC1CCC(Oc2ncccc2C#N)CC1 1477410028 GDXJMPQRWWGRKQ-UHFFFAOYSA-N 457.556 2.393 30 10 JEEE C#CCN(c1nnc(C(C)C)n1C[C@H](c1cccs1)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1507623431 RXMUPAFGEMPYSE-RTBURBONSA-N 477.656 2.163 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(C#N)o1)[C@H]1CCS(=O)(=O)C1 1507637571 LAZQDDUAZXVZMV-PWIZWCRZSA-N 471.583 2.336 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(OC)cc2)n1CCN1CCN(C(C)=O)CC1 1507771693 HBWPXJUPYXAXQN-RUZDIDTESA-N 466.586 2.022 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccsc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1507804532 GRABGXMSFGZDOL-AZUAARDMSA-N 465.645 2.383 30 10 JEEE C=C(C)COCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1507847806 KZVGCTQBQWQMKL-QFIPXVFZSA-N 493.568 2.088 30 10 JEEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1507934712 IWBODCQYYNHZCE-RTWAWAEBSA-N 492.690 2.060 30 10 JEEE C=CCCOCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(S(C)(=O)=O)CC1 1507959576 FIBKSWHYPDTCCD-UHFFFAOYSA-N 458.588 2.111 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CCO[C@H]1C 1508008625 PTJNORGHHTYOIR-CECAUBDESA-N 464.563 2.052 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1508084467 BUCLHMXDONWPOX-SFHVURJKSA-N 463.542 2.207 30 10 JEEE CNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1517433475 CMMMSAHUFLXHBD-NRFANRHFSA-N 476.585 2.308 30 10 JEEE COc1ccccc1Cc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCC(=O)NC(C)C 1518475536 IFAXMCFAZCDFCN-UHFFFAOYSA-N 488.596 2.385 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(C)(C)C(=O)NCC 1538975569 AFQWZCZOGBKOSJ-OAHLLOKOSA-N 459.620 2.167 30 10 JEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 1539120565 XRRKGZHSQLPXOO-MRXNPFEDSA-N 451.593 2.087 30 10 JEEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@H]1CCOC[C@@H]1OC 1539172462 ZVGVDIIAFCPZEM-XLIONFOSSA-N 450.543 2.357 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@]1(O)CCOC1)[C@H]1CCS(=O)(=O)C1 1539211325 HPMHPNKXJNHSHK-YWZLYKJASA-N 485.393 2.030 30 10 JEEE C#CCN(c1nnc(C2CC2)n1C[C@@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1539215449 CFEBBLITFNJTPE-YTQUADARSA-N 477.631 2.428 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H](C(C)C)N1CCCC1 1539408943 ISYZXMFUVIPWBO-QFIPXVFZSA-N 477.613 2.398 30 10 JEEE C#CCN(CCOC)c1nnc(Cc2c(F)cccc2F)n1C[C@]1(N2CCOCC2)CCSC1 1539417539 LHVPILIYEGMBLB-XMMPIXPASA-N 491.608 2.441 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCC(=O)N2CCOCC2)CC1 1539462779 YQTXNYRKQIFQAW-UHFFFAOYSA-N 494.640 2.159 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H](C)SC)CC1 1539470071 JJMVGCJOLUQWGQ-INIZCTEOSA-N 475.640 2.066 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C)[C@H]1CC 1539631647 MPIBRIMENOZPOA-MDMHHNQBSA-N 467.636 2.217 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CCCO)CC1 1539632345 QWZAHDSHNSOCKV-AQNXPRMDSA-N 452.621 2.150 30 10 JEEE C=C1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1539840559 XWKUZLPWSAPCMP-HXUWFJFHSA-N 497.415 2.422 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1CCN(C(C)=O)CC1 1540140065 PBCKFWZPYMHXQU-INIZCTEOSA-N 480.660 2.401 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1540863560 YIIGBJDJISUEDO-OSPHWJPCSA-N 483.548 2.345 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1540867107 KVRBZCHGFVKYOI-PZJWPPBQSA-N 466.586 2.387 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1ccoc1 1540871600 PEINGOGSPISLIT-QGZVFWFLSA-N 460.535 2.118 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Br)cc2)nnc1N1CCN2C(=O)CC[C@H]2C1 1540899186 GOFNFXGHVLCADO-KRWDZBQOSA-N 494.415 2.119 30 10 JEEE C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)CC1(C)C 1544457391 FJHFRDHVUFTLBI-QGZVFWFLSA-N 460.604 2.493 30 10 JEEE COCCNC(=O)[C@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CCN1C(=O)Cc1c(C)noc1C 1548372493 IJJYTXRCTPLNRU-HXUWFJFHSA-N 493.486 2.204 30 10 JEEE CN(C)S(=O)(=O)N1CCC2(CC1)C[C@H](C(=O)NC1CC1)N(c1ccc(C#N)c(C(F)(F)F)c1)C2 1548381856 LALLPDZWLXJRQO-LJQANCHMSA-N 499.559 2.323 30 10 JEEE C#C[C@H](NC(=O)N1CCN(S(=O)(=O)c2c(C)noc2C)CC1)c1ccc(Cl)cc1F 1565001803 DDCPUUFOASGOQB-KRWDZBQOSA-N 454.911 2.474 30 10 JEEE C[S@@](=O)C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)c1ccccc1 1565736019 CLYBULPBWYGIRJ-URAOTHONSA-N 459.593 2.195 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2CC2(O)CCN(C(C)C)CC2)c1 1587693383 RWAHUQJLKYNAAI-OAQYLSRUSA-N 480.613 2.074 30 10 JEEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1C[C@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1587922243 WSEANKJVERDDSB-KSYXXAMZSA-N 489.617 2.413 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@@H]1CCOC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1588069426 NSPWETJRDCYCHB-CMKODMSKSA-N 476.574 2.296 30 10 JEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1nc(C)c(C)s1 1588124095 CSYQQXUZBCGFGN-UHFFFAOYSA-N 453.597 2.433 30 10 JEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 1588245805 RIUMKPWSOGZGOC-QFIPXVFZSA-N 474.565 2.029 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CC2CCC(OC)CC2)CC1 1588864994 OKJWXYGWCNVTPI-UHFFFAOYSA-N 456.616 2.230 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(CCOc2ccccc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1589233961 NXTSYJYPODMJPO-AUSIDOKSSA-N 457.600 2.173 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1589581718 VXXJOFURRUIAIZ-QXAKKESOSA-N 453.609 2.019 30 10 JEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1593690356 KPZIGHUBHAKDLT-UHFFFAOYSA-N 473.666 2.102 30 10 JEEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1594784420 ZCLCKUFDFYRTAB-UHFFFAOYSA-N 470.549 2.208 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@]2(OCC)CCOC2)n1C[C@@]1(O)CCOC1 1595083745 FQJIDXZJDMXSIG-ZEQRLZLVSA-N 453.543 2.146 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C)CCOCC1 1595260062 GOEIQTJZHXCSPB-HXUWFJFHSA-N 493.630 2.256 30 10 JEEE C=CCn1c(COc2ccc(Br)cc2)nnc1N1CCC(OCC(N)=O)CC1 1595434499 BUEVHZZQPBVUBP-UHFFFAOYSA-N 450.337 2.276 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCC(N(C)C(C)=O)CC2)cc1 1595608141 PLISBVVMKTVWNK-UHFFFAOYSA-N 454.575 2.477 30 10 JEEE C=CCOc1ccc(Cn2c(N3CCN(C(=O)C(=O)NC4CC4)CC3)nnc2C(C)(C)C)cc1 1595639876 NFDHNEOTJNEVGG-UHFFFAOYSA-N 466.586 2.116 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(C)nc3ccccc23)nnc1N1C[C@H](OC)[C@H](OC)C1 1595766869 ZLDAYUBMEIXZAO-OYRHEFFESA-N 471.583 2.253 30 10 JEEE CS(=O)(=O)N1CCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(C#N)CC1 1620169136 GFYMFZSFCCIZBV-OAHLLOKOSA-N 482.408 2.200 30 10 JEEE N#C[C@@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCn2cc(Cl)cn2)CCO1 1620354377 CRVLYPLOIHUYQG-QGZVFWFLSA-N 475.340 2.140 30 10 JEEE C=CCOC[C@H](NC(=O)c1cccc(S(=O)(=O)N2c3ccccc3C[C@@H]2C)c1)C(=O)OC 1635158766 KAJIWTLRZUVWGQ-JXFKEZNVSA-N 458.536 2.301 30 10 JEEE Cn1c(NC2(Cc3ccc(F)cc3Br)CCOCC2)c(C#N)c(=O)n(C)c1=O 1639952971 IETPWDZQYOVUFO-UHFFFAOYSA-N 451.296 2.061 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCCO[C@@H]1C1CCN(S(=O)(=O)c2cncc(C#N)c2)CC1 1655557388 DWZXYLXCMQZHBN-RTBURBONSA-N 450.561 2.426 30 10 JEEE C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CC(=O)N(CCOc3ccccc3)C2)cc1 1670762265 DFDXWOPRMAGNAC-SJLPKXTDSA-N 456.524 2.174 30 10 JEEE C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)NCC[C@](O)(c2nccn2C)C(F)(F)F)cc1 1670762351 FOMICEWCTMMFRN-SJCJKPOMSA-N 459.450 2.068 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H](C)SC)[C@H]1CCS(=O)(=O)C1 1689983602 DGBBWHRVSLYMJW-RDJZCZTQSA-N 464.613 2.341 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccc(OC(F)(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 1689991329 ZTHHUPKVEPFMQA-IAGOWNOFSA-N 484.500 2.356 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(C)n2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1690013264 IDWCWEYGZUHEKD-UHFFFAOYSA-N 454.582 2.307 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1CCCN1CCN(CC)CC1 1690043570 FUROSCAIZHLYOH-UHFFFAOYSA-N 472.597 2.084 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3OCC)n2CC2CCN(C(C)=O)CC2)CC1 1690133595 MQVMGFOEVZLPRK-UHFFFAOYSA-N 480.613 2.270 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)c1c(C)noc1C)C1CC1 1690545537 TXYOSMSUBGYODH-KDOFPFPSSA-N 464.592 2.174 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)C(=O)NC 1690560104 PEYIRESHNZRSAA-LJQANCHMSA-N 470.599 2.017 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(Cl)c(OC)c2)C1 1690685883 FMCANBZJLWOSEF-HOCLYGCPSA-N 469.995 2.380 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCO[C@H](c2cccc(OC)c2)C1 1690722308 DUMOCAFRIVVARG-FQEVSTJZSA-N 457.556 2.461 30 10 JEEE C=CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1690736654 LIOHJVPYXLTKQD-UHFFFAOYSA-N 451.556 2.257 30 10 JEEE CC[C@@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CC1(C(N)=O)CCCC1 1694125052 CQDIANLYMGSPOY-SJORKVTESA-N 451.579 2.214 30 10 JEEE CN(c1nnc(-c2cccc(C#N)c2)n1CCn1cc(Cl)cn1)C1CCN(S(C)(=O)=O)CC1 1696630756 HJBDALJDCSKKSN-UHFFFAOYSA-N 489.005 2.227 30 10 JEEE Cn1cc(-c2nnc(N3CCC(CC#N)CC3)n2Cc2ccc(CS(C)(=O)=O)cc2)cn1 1696850553 ICZCMHPBVUSOBP-UHFFFAOYSA-N 453.572 2.402 30 10 JEEE CN1CCC[C@@H]1C(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[S@](=O)C(C)(C)C)CC1 1696880657 ANURXQLPKFVGPM-QGFSVNGOSA-N 497.669 2.107 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@H]1CCN(CC(F)(F)F)C1)[C@@H]1CCS(=O)(=O)C1 1705562719 IGFBSDMVQQTABK-DLBZAZTESA-N 485.532 2.357 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1CCc1cccc(C)n1)[C@@H]1CCS(=O)(=O)C1 1705569594 FCBZOXLYKBKANB-JOCHJYFZSA-N 479.606 2.450 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1cc(F)ccc1F)[C@@H]1CCS(=O)(=O)C1 1705569660 JARYLSLSOMCEBU-LJQANCHMSA-N 457.506 2.217 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 1705589157 LNJBVIDTVIMHRC-QHCPKHFHSA-N 462.598 2.170 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCC(=O)NCCC 1705596190 WKCZEGFQOICSQQ-UHFFFAOYSA-N 459.554 2.054 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccnc1OC 1705619442 QQVWOJMKYIWTDP-MRXNPFEDSA-N 472.546 2.119 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCC(=O)N1CCOCC1 1705623304 NBYVJGFEGDPVRP-GOSISDBHSA-N 471.627 2.466 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H](C)N(C)Cc2ccccc2)CC1 1705634892 LQGZGOHEGVZSGG-BKMJKUGQSA-N 466.630 2.206 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2CCCN2CCCCC2=O)CC1 1705642926 MPICFICGFLPPEZ-UHFFFAOYSA-N 454.550 2.154 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@](C)(O)C2CCCCC2)CC1 1705644090 GQICKVZKGALCSC-AREMUKBSSA-N 486.661 2.494 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2CC2([S@@](C)=O)CC2)CC1 1705649744 FXGIAOWRRRTVLV-JGCGQSQUSA-N 453.612 2.054 30 10 JEEE C#CCSCCn1c(CCc2ccc(OC)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1705663700 OJMAZIBJHMHLIO-FQEVSTJZSA-N 462.641 2.452 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)c(OC)c1 1705716448 LKIHNKKCKXKQMW-HXUWFJFHSA-N 463.604 2.379 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)COCC)CC1 1705781507 BHQYTTJJEVHZRF-SFHVURJKSA-N 455.625 2.076 30 10 JEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Sc1ccccc1 1705843412 DVLDYCMKZZEQGM-SJLPKXTDSA-N 451.618 2.414 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@H](CC)O[C@H](C)C1 1705894890 NPKMVYWXHJREAI-QAPCUYQASA-N 460.966 2.167 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@H](c2noc(C)n2)C1 1705935338 OBPTYBQJEKTUNC-SFHVURJKSA-N 492.989 2.392 30 10 JEEE CC(=O)NC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)c2c(C)noc2C)CCO1 1706054864 HWFIEFPCVSZYAP-KSFYIVLOSA-N 493.568 2.479 30 10 JEEE COCCN1C[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(F)(F)C2)CC1=O 1712472580 BTQNRDHTHNXSRZ-QGZVFWFLSA-N 460.485 2.069 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2Cl)n1CC(=O)NCCC)[C@H]1CCS(=O)(=O)C1 1722361348 ZGSABZBWZYYFAV-HNNXBMFYSA-N 484.409 2.405 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1C[C@H]1CC=CCO1)[C@H]1CCS(=O)(=O)C1 1722365867 PUCAXRWQQGHTSO-DLBZAZTESA-N 494.415 2.018 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(Br)c2)n1CCNS(=O)(=O)CC 1722395097 PWHAWMUWSGOKBS-UHFFFAOYSA-N 464.389 2.110 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@H]2CN(CC(C)C)CCO2)CC1 1722435920 RIRDTZVWZMGUEL-HSZRJFAPSA-N 496.656 2.464 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2C[C@H](C2CC2)N(C)C)CC1 1722450036 UYTHPESGRDQMNP-HSZRJFAPSA-N 464.614 2.472 30 10 JEEE C#CCSCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1722455804 NFQZAUQFOLOGSP-UHFFFAOYSA-N 493.008 2.277 30 10 JEEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1722547973 XCMVDQQPELDEIM-MRXNPFEDSA-N 487.413 2.377 30 10 JEEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1722581483 CNUXSHVYZYEWAX-SFHVURJKSA-N 481.667 2.219 30 10 JEEE C=CCCOCCn1c(Cc2ccccn2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1722629039 KZDRAKHCHQBXSA-XUZZJYLKSA-N 481.645 2.236 30 10 JEEE C=CCCOCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@]2(CCOC2)C1 1722629596 MHLIMAMWBOUZTP-NTKDMRAZSA-N 493.605 2.175 30 10 JEEE C=CCS(=O)(=O)CCn1c(C)nnc1N(CCO)Cc1ccc(F)c(Br)c1 1722723919 IQCJBVFNAJRMMM-UHFFFAOYSA-N 461.357 2.088 30 10 JEEE CC(C)[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1)NC(=O)OC(C)(C)C 1723121998 GOSRNFNKXIPVLP-ZWKOTPCHSA-N 480.635 2.469 30 10 JEEE CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCCC[C@H]2C)CCO1 1729679658 AMYHTNKPELJRPB-WIYYLYMNSA-N 451.575 2.032 30 10 JEEE C#CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)CCS(C)(=O)=O 1740589833 GDLXYDTULKTFOR-UHFFFAOYSA-N 453.609 2.287 30 10 JEEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cc(F)ccc1N1CCOCC1 1740631471 JSQUDHCUFTXSBZ-RUZDIDTESA-N 467.545 2.027 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1740701416 GTPWIDKJCMIDEN-NRFANRHFSA-N 473.581 2.041 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Br)s3)n2CC(=O)NC(C)C)CC1 1740701786 PWHILZKOZLRCDO-UHFFFAOYSA-N 493.431 2.260 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@](C)(O)[C@@H](C)CC)CC1 1740707228 UTOKCPBSVDGXBG-QMHKHESXSA-N 458.632 2.397 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)SC)CC1 1740707898 UTLHXOIFWDUYJF-KRWDZBQOSA-N 452.584 2.446 30 10 JEEE C=C(Br)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1740738201 GYGKAGMGNQZSSQ-UHFFFAOYSA-N 493.406 2.081 30 10 JEEE C=CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2CCOC[C@@H]2C1 1740877095 REJVQWKGLVBRCK-OALUTQOASA-N 462.595 2.074 30 10 JEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(F)ccc1SC 1740900324 XCQMSHPPXRQEFH-MRXNPFEDSA-N 455.581 2.143 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCN(C(=O)c2ccco2)CC1 1740964093 GYJZEQGGYLJJCB-UHFFFAOYSA-N 484.944 2.368 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCc1cnccn1 1740969555 RLCNVXZAIQVWOD-IBGZPJMESA-N 468.583 2.262 30 10 JEEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN(C(=O)OC(C)(C)C)C1CC1 1741802000 DQHRRSFUTPYIKV-CVEARBPZSA-N 466.608 2.318 30 10 JEEE C[C@@H]1COCCN1CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@](F)(C#N)C1 1743361536 CQKPPVJLSGHYIU-FZKQIMNGSA-N 452.332 2.198 30 10 JEEE CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCOC(C)(C)C2)CCN1CCOC 1745000610 IBAAWSJTYRVAGQ-HSZRJFAPSA-N 481.645 2.475 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OCCC)c(OC)c2)n1Cc1cn(C2COC2)nn1 1748658296 PMSBGMSUNFKDIU-INIZCTEOSA-N 451.531 2.412 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1ccc(O)cc1 1748751645 JHSAURSWZUGMRF-UXHICEINSA-N 459.572 2.072 30 10 JEEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1C[C@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1748766310 MPBYHCKKOSBCDP-BZSNNMDCSA-N 481.557 2.019 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC(=O)Nc1cccc(Cl)c1C 1748962910 UFMGSCOATWLCRI-KRWDZBQOSA-N 494.017 2.257 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@@]2(C)CN(C)C2=O)CC1 1748999499 YOWJRQQGNGCSPJ-JOCHJYFZSA-N 477.396 2.397 30 10 JEEE C#CCSCCn1c(-c2cn(C)c3ccccc23)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1749032100 VMAYPGCMGTXMNJ-QGZVFWFLSA-N 472.640 2.321 30 10 JEEE C=C(Br)Cn1c(-c2noc3c2COCC3)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1749098165 QXQIFHFTFCCRRH-ZDUSSCGKSA-N 486.392 2.318 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1749351900 DGIDGNULNLZFQX-HMFYCAOWSA-N 452.621 2.149 30 10 JEEE C=CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1749392817 ACWOBFJCZSQLFM-UHFFFAOYSA-N 485.618 2.137 30 10 JEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(S(=O)(=O)c2ccccc2)CC1 1749413608 WXUTYLKGHOVMGE-KRWDZBQOSA-N 481.644 2.297 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1749655993 WNRQKKWRIORJFS-HNNXBMFYSA-N 482.507 2.337 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC2(O)CCS(=O)(=O)CC2)C1 1749698984 YGXYYIVQUZYCPH-ZWKOTPCHSA-N 494.589 2.278 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@](C)(C(N)=O)C1 1749725078 OBVROOXVRLVSEE-YCRPNKLZSA-N 482.006 2.374 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(Br)cc1 1760117273 NOTAMSMZNDYATG-CRAIPNDOSA-N 496.431 2.074 30 10 JEEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1760141413 ULUVYKJEYMGPTF-FQEVSTJZSA-N 463.590 2.341 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCC[C@@H]1OC)[C@@H]1CCS(=O)(=O)C1 1760191699 LUSBJOHSNFPDSX-VWPQPMDRSA-N 483.594 2.171 30 10 JEEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1C[C@@H](C(CC)CC)N1CCOCC1 1760201439 BFNJGKVARSLZBS-NRFANRHFSA-N 466.586 2.216 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H](N1CCOCC1)C(F)(F)F 1760248737 DETPOODDJJQAHH-PMACEKPBSA-N 495.502 2.140 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CCCc2c[nH]nc2C)CC1 1760254639 DHPUFZOHHKDLHK-UHFFFAOYSA-N 479.585 2.390 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H](C2CCCCC2)N(C)C)CC1 1760257388 VMEJYLTYLFIWKA-RDGATRHJSA-N 458.651 2.196 30 10 JEEE C#CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(NC(C)=O)CC1 1760281106 XWPRVXLEUWDAGG-UHFFFAOYSA-N 451.556 2.065 30 10 JEEE C#CCSCCn1c(N2CC(=O)N(C)C[C@@H]2C)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1760286884 YGLBIQYESPLGHC-YESZJQIVSA-N 462.620 2.082 30 10 JEEE C=C(Br)Cn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1760303031 YZMDNRYDJKDNFU-UHFFFAOYSA-N 477.363 2.026 30 10 JEEE C=C(C)COCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@](F)(C#N)C1 1760352183 RHJZJFZLHYLLKJ-OAQYLSRUSA-N 462.551 2.230 30 10 JEEE C=CCC(C)(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1760408684 QTAMQZBNBZVCQH-GOSISDBHSA-N 456.576 2.146 30 10 JEEE C=CCCCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1760429929 UOCUFBYJCNBXEN-SFHVURJKSA-N 454.579 2.154 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](CC)C1 1760523083 LTYCMSQSMZKSKX-IRXDYDNUSA-N 470.578 2.167 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1760526356 LTNFWZVQUZTCER-GMAHTHKFSA-N 482.629 2.323 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H](C)O[C@H](COC)C1 1760557949 BDKSIVYORCVLHK-INDMIFKZSA-N 470.636 2.038 30 10 JEEE C[C@@H]1CN(CCCn2c(-c3cc(Br)c[nH]3)nnc2N2CCO[C@@H](C#N)C2)C[C@@H](C)O1 1763197963 HNCGSHFUXMMCMA-INMHGKMJSA-N 478.395 2.264 30 10 JEEE CCc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1C[C@H](C)N1CCN(CC)CC1 1764553022 DAYGVCVTCLIVRY-RBBKRZOGSA-N 467.618 2.174 30 10 JEEE C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]2(C)[C@@]1(O)C(=O)[C@@H](O)OP(=O)(O)O 1848437839 KJBJVISUYMGXJC-ZMIAKQBKSA-N 452.440 2.188 30 10 JEEE C=CCN(CC=C)C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1ccc(NS(C)(=O)=O)cc1 1862136145 IQMACDYWPIFENW-NRFANRHFSA-N 457.552 2.305 30 10 JEEE Nc1cccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(S(N)(=O)=O)cc3)[C@H]2c2ccc(O)cc2)c1 1862556163 QCJAQNUTKVWCQN-QFIPXVFZSA-N 493.541 2.443 30 10 JEEE C=CCOc1ccccc1[C@H]1C(C(=O)NCCNC(C)=O)=C(N)Oc2c1c(CC)nn2CCC 1864327779 YKXMFSKRHYIHOS-HXUWFJFHSA-N 467.570 2.367 30 10 JEEE CCOC(=O)N1CCN(C(=O)[C@H](NC(=O)C2CCN([C@H](C#N)c3cccs3)CC2)C(C)C)CC1 1868784121 VNGBRGJAYQVUTE-TZIWHRDSSA-N 489.642 2.466 30 10 JEEE C=CCn1cc(OCC(=O)Nc2ccc(C(=O)OC(C)C)cc2)c(=O)cc1CN1CCN(C)CC1 1870390502 LZSCKEMUQLTNKD-UHFFFAOYSA-N 482.581 2.364 30 10 JEEE C#CCN(CC(=O)N[C@@]1(C(=O)O)CC[C@@H](CNC(=O)OC(C)(C)C)C1)C(=O)OC(C)(C)C 2059565601 BWPFSASXFGZSPP-QRQCRPRQSA-N 453.536 2.121 30 10 JEEE C=C(Br)CS(=O)(=O)N1CCN(C2CCN(C(=O)OC(C)(C)C)CC2)CC1 2118089777 CWBXWOXPSMVLKV-UHFFFAOYSA-N 452.415 2.242 30 10 JEEE CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2180981627 VWICOHYOYONABG-IBGZPJMESA-N 461.412 2.099 30 10 JEEE Cn1ncc(C(=O)N2CCC(NC(=O)OCc3ccccc3)CC2)c1B1OC(C)(C)C(C)(C)O1 2255542789 XRKMMNXSNIIFEV-UHFFFAOYSA-N 468.363 2.250 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H](CO)NC(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2255640109 JIAAZSDBVYSPIT-ZDUSSCGKSA-N 454.760 2.255 30 10 JEEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)CC1 2255750995 SMUASYHQOVXGJY-UHFFFAOYSA-N 452.382 2.227 30 10 JEEE CC(C)(C)OC(=O)NC1[C@@H]2CN(S(=O)(=O)c3cscc3B3OC(C)(C)C(C)(C)O3)C[C@@H]12 2255794416 LGKLSAGMSUMWTQ-CHWSQXEVSA-N 470.422 2.191 30 10 JEEE CO[C@@H]1CN(C(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1NC(=O)OC(C)(C)C 2255878755 DUNHCNHCVILRJQ-LSDHHAIUSA-N 452.382 2.411 30 10 JEEE C[C@H](NC(=O)[C@@H](O)[C@H](C)NC(=O)OC(C)(C)C)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2256613886 KGBLSWKPAUNXJW-XEZPLFJOSA-N 454.398 2.499 30 10 JEEE Cc1sc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2O)cc1B1OC(C)(C)C(C)(C)O1 2267118344 JWCLZAYJJHWYOT-HOTGVXAUSA-N 466.409 2.456 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H]1NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2267365875 WZSIYGZRCBMTIF-CZUORRHYSA-N 470.372 2.316 30 10 JEEE CC(C)(C)OC(=O)N1CC(CO)(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2Cl)C1 2267405515 BNIMFDXGYMBLKY-UHFFFAOYSA-N 466.771 2.351 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1CCN1S(=O)(=O)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2267474654 YMTHKAVWLHPHKZ-GOSISDBHSA-N 466.409 2.415 30 10 JEEE CN(C)CCN(CCNC(=O)OC(C)(C)C)C(=O)c1occc1B1OC(C)(C)C(C)(C)O1 2267504024 MFPGQCUXLCKUFJ-UHFFFAOYSA-N 451.373 2.107 30 10 JEEE CC(C)(C)OC(=O)N1CC2(C[C@@H](O)CN2C(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2267592213 CQZZASHHWMYGFM-CQSZACIVSA-N 464.393 2.244 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H]2OCCN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)sn3)[C@H]2C1 2281993831 GZLNRYMMCDYDKV-JKSUJKDBSA-N 479.408 2.293 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H](F)C[C@H]1CNC(=O)OC(C)(C)C 2282005232 OOMXWVLNZNFHHS-GJZGRUSLSA-N 466.363 2.105 30 10 JEEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2282171439 KDBOAYUMZCWNDY-REPLKXPHSA-N 451.380 2.040 30 10 JEEE CC(C)(C)OC(=O)N1CC(C[S@](C)(=O)=NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2282176210 QSRTYYJQGZYKPH-XIFFEERXSA-N 479.408 2.486 30 10 JEEE Cc1nn(C)c(C(=O)N2C[C@H](F)C[C@H]2CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2282573027 UDUZCASOTGLILY-CABCVRRESA-N 466.363 2.105 30 10 JEEE CO[C@](C)(CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)c(C)nn1C)COCc1ccccc1 2282584079 RBYLDNXPTIEWOE-XMMPIXPASA-N 457.380 2.379 30 10 JEEE Cn1nc(C(=O)N[C@@]23CCC[C@@H]2CN(C(=O)OC(C)(C)C)C3)cc1B1OC(C)(C)C(C)(C)O1 2282626705 DGEHMSWKABKSNN-IQMFZBJNSA-N 460.384 2.239 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NCCO[C@H]1CCN(C(=O)OC(C)(C)C)C1 2282643550 BYCPPPIQYCYAKH-KRWDZBQOSA-N 463.384 2.080 30 10 JEEE C[C@H]1CN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C[C@@]1(C)CNC(=O)OC(C)(C)C 2282706820 RCCQZYBLZCQUMY-NPMXOYFQSA-N 460.384 2.399 30 10 JEEE CC(C)(C)OC(=O)NCC1(CNS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CCC1 2282868149 JNJVNXKWCLLBLT-UHFFFAOYSA-N 481.424 2.354 30 10 JEEE CN(Cc1ccccc1B1OC(C)(C)C(C)(C)O1)C(=O)C1(CNC(=O)OC(C)(C)C)COC1 2284058471 MPHNIFCIKSKKPE-UHFFFAOYSA-N 460.380 2.486 30 10 JEEE C[C@@H](O)CN(CCNC(=O)OC(C)(C)C)C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2285396911 AKWPMLDSAQGXNK-CQSZACIVSA-N 483.802 2.382 30 10 JEEE Cc1cc(CNC(=O)C2(CO)CN(C(=O)OC(C)(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2289464310 PYOOITXPVVMEKD-UHFFFAOYSA-N 460.380 2.140 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NS(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2334275367 RQANFKHVLSKXMZ-QILLFSRXSA-N 464.393 2.272 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1[C@H]2CCC[C@H]2[C@@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2334388776 LKZVWQNMTJGPSK-RFGFWPKPSA-N 464.397 2.137 30 10 JEEE C[C@H]1CC[C@@H](CNC(=O)C(F)(F)F)N(C(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C1 2337333572 BSHXFEAOILBQRU-RYUDHWBXSA-N 461.315 2.362 30 10 JEEE COCCNC(=S)/N=C(/Nc1nc(C)cc(C)n1)N1CCN(c2ccc(OC)cc2)CC1 14161263 BHJPRTKRHHRYRH-UHFFFAOYSA-N 457.604 2.213 30 10 JEEE COCCSc1nnc(NC(=O)CSc2n[nH]c(N/N=C/c3cc(OC)ccc3O)n2)s1 21075614 XBDKWIGABCAOAT-QGMBQPNBSA-N 496.600 2.286 30 10 JEEE CCOc1ccc(/C=N/Nc2nc3c(c(=O)[nH]c(=O)n3C)n2C[C@@H](O)COc2ccc(C)cc2)cc1 33574876 QVVQUVGNEKZMFY-WUERFNLMSA-N 492.536 2.016 30 10 JEEE C=CCN1C(=O)N[C@H](c2ccccc2Cl)C2=C1CN(CC(=O)NCc1cccnc1)C2=O 35965346 GAKOTIUOFPNMBI-OAQYLSRUSA-N 451.914 2.400 30 10 JEEE CC(/C=C/c1ccccc1)=N\Nc1nc2c(c(=O)n(C)c(=O)n2C)n1C[C@H](O)COc1ccccc1 109047042 GBYCJFDWFWSIPD-ZAIDCQLNSA-N 488.548 2.375 30 10 JEEE COc1cccc(C=NN(CCC(=O)NC(C)(C)C)C2=NS(=O)(=O)c3ccccc32)c1O 254308242 RBWBTHALMGYDLS-UHFFFAOYSA-N 458.540 2.491 30 10 JEEE Cc1csc(NC(=O)CSc2nnc(NN=Cc3cc(Br)ccc3O)n2N)n1 1084469405 XHHXBGRURMWGHS-UHFFFAOYSA-N 483.377 2.402 30 10 JEEE C[C@@H]1CCCCN1CCC/N=C(/Nc1ccc(S(N)(=O)=O)cc1)N[C@H]1CCCC[C@@H]1N 1088685075 GYRAIXKPVPASOP-QMMLZNLJSA-N 450.653 2.226 30 10 JEEE C#Cc1ccc(C(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2N2CCN(C)CC2)cn1 1146299583 KUKQYNCKBGIFSU-UHFFFAOYSA-N 455.584 2.098 30 10 JEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCOC[C@@H]1c1nc2ccccc2s1 1155170034 CICAMJRAOSHQDI-RDTXWAMCSA-N 456.549 2.435 30 10 JEEE C=CCCSCCNC(=O)N1CCN(S(=O)(=O)c2c(C)oc(C)c2C(=O)OC)CC1 1252772963 SQNAVXNYDYBRLQ-UHFFFAOYSA-N 459.590 2.008 30 10 JEEE N#Cc1ncn(-c2ccccc2NC(=O)CN2C(=O)COc3cc(Br)ccc32)n1 1274947530 DWLPLBQWGGKSNC-UHFFFAOYSA-N 453.256 2.266 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCc1cnn(C)c1 1286294096 BGDBNNRXGUJGIL-PKOBYXMFSA-N 457.579 2.411 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCCCO2)c1 1286308057 FBBNVSQHCHNZMQ-HXUWFJFHSA-N 450.543 2.139 30 10 JEEE C#CCN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H](C)CN1CCN(CC)CC1 1286444225 SWZGIGPLTIDDES-LJQANCHMSA-N 462.602 2.327 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCCc3ccccc3)n2CC(=O)NCC(F)(F)F)CC1 1286494704 QFZBLFTZXCUAIS-UHFFFAOYSA-N 490.530 2.098 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1286628773 GDBVPSHTMREIKQ-MRXNPFEDSA-N 467.954 2.034 30 10 JEEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2cc(F)cc(C)c2C1 1286706326 MSPSJLAMPZAXPA-INIZCTEOSA-N 451.568 2.491 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc(CNC(=O)c2cccs2)n1CC(=O)N1CCOCC1 1286744234 FYCRLSMQGCRPTM-UHFFFAOYSA-N 480.594 2.321 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1286815394 UAVCIFGAAPFRRS-UHFFFAOYSA-N 490.586 2.149 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1286822024 YEHUXWLLBLWBRT-QHCPKHFHSA-N 494.061 2.424 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CCC[C@@H](n2cncn2)C1 1286822297 CUAZDYROFIKLDR-LJQANCHMSA-N 471.587 2.199 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC1([S@](C)=O)CC1 1288529257 GYWFLLNMCLXSHR-KGMZSHBCSA-N 469.659 2.292 30 10 JEEE COc1ccc(OCCn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@@H](C#N)C2)cc1 1300317527 AKJSAJXEALTLDP-SFHVURJKSA-N 468.539 2.086 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1cccc(COC)c1)[C@H]1CCS(=O)(=O)C1 1300498884 NSLVAUJTCXEWSM-QFIPXVFZSA-N 465.579 2.085 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@H]2CC2(C)C)CC1 1300700488 RBLAWEGXCDTMKN-OALUTQOASA-N 458.607 2.388 30 10 JEEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1300743575 VFTRWEBWRYVXFA-UHFFFAOYSA-N 494.463 2.049 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1300844479 OPCIVRTYFKAIOY-HZPDHXFCSA-N 478.395 2.478 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(CNC(C)=O)CC1 1300875340 OVKIEEXFNKMEGF-FPOVZHCZSA-N 467.574 2.259 30 10 JEEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1300972223 IZMCRODHAOQTNO-IBGZPJMESA-N 482.589 2.100 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1301489951 ICRFRVKVVSOHJU-GOSISDBHSA-N 486.020 2.034 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1301502253 DUCPXFKNOXJBLV-QGZVFWFLSA-N 457.922 2.094 30 10 JEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](c2ccnn2C)C1 1301612945 RYVXIYKAQCHKRK-IRXDYDNUSA-N 450.634 2.217 30 10 JEEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@H]2CCO[C@@H](C)C2)CC1=O 1301887496 IDROOKPEYWOMNR-OALUTQOASA-N 452.559 2.317 30 10 JEEE CC(C)NC(=O)CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H](N1CCOCC1)C(F)(F)F 1303435920 IFWGMWJDYHFOIS-SFHVURJKSA-N 479.507 2.041 30 10 JEEE CCN1CCN([C@@H](C)Cn2c(CNC(=O)c3cccs3)nnc2N2CCC[C@](C)(C#N)C2)CC1 1313926225 BSNPMDKOEOCYNR-YADARESESA-N 484.674 2.426 30 10 JEEE C#CCN(c1nnc(C(C)C)n1Cc1ccc(-c2n[nH]c(C)n2)cc1)[C@@H]1CCS(=O)(=O)C1 1358955839 UYPIRHBBAVQKJC-LJQANCHMSA-N 453.572 2.170 30 10 JEEE C#CCN(c1nnc(CC)n1C[C@@H](c1ccccc1Cl)N(C)C)[C@@H]1CCS(=O)(=O)C1 1358964188 VDWXDOZUHUAMDD-APWZRJJASA-N 450.008 2.424 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1C[C@](C)(O)c1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 1358966721 VGIOLAGJUJQOSJ-VGSWGCGISA-N 463.003 2.418 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnn(C)c2)n1CC1CCS(=O)(=O)CC1 1359015661 AHZWXAKOMCAVHT-UHFFFAOYSA-N 456.547 2.282 30 10 JEEE C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1359118167 RKSIPIMANDRWDI-CQSZACIVSA-N 471.425 2.388 30 10 JEEE C=CCC(C)(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1359184341 LQVOCOMVKXSSFR-UHFFFAOYSA-N 481.557 2.383 30 10 JEEE C=CCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1359208468 MHEKPZMAGGIZGS-KRWDZBQOSA-N 485.980 2.373 30 10 JEEE C=CCOc1ccc(Cn2c(-c3ccccn3)nnc2N2CCN(CC(=O)NCC)CC2)cc1 1359307410 JOAANINGLSJHGE-UHFFFAOYSA-N 461.570 2.211 30 10 JEEE C=CCOc1ccccc1Cn1c(Cc2ccccn2)nnc1N1CCN(CC(=O)N(C)C)CC1 1359310676 CHNQSALKZACMRF-UHFFFAOYSA-N 475.597 2.087 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCSC[C@@H]1C 1359331136 OJXZVMWVPLWLHX-AWEZNQCLSA-N 460.585 2.136 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)NCc3ccc(N4CCCS4(=O)=O)c(F)c3)cc2C1=O 1459229895 AINMNBROIVVIGG-UHFFFAOYSA-N 457.483 2.078 30 10 JEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2C(=O)Nc2cc(C)ccc2OC)cc1 1465299046 AQPBRCVVVHYZPG-HXUWFJFHSA-N 455.536 2.158 30 10 JEEE C=CCC[C@H](CO)NC(=O)C1CCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)CC1 1467991757 LXOJMUHHPORJJN-OAHLLOKOSA-N 450.479 2.429 30 10 JEEE CCC(CC)(Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1)OC 1496591742 GDQJRYXMFHQALI-UHFFFAOYSA-N 476.603 2.016 30 10 JEEE CCN1CCN(C2CCN(c3nnc(-c4cccc(C#N)c4)n3CCC(=O)NC(C)C)CC2)C1=O 1502334404 HPSBCNPRJCZURV-UHFFFAOYSA-N 478.601 2.458 30 10 JEEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nc(C)c(C)s2)CC1=O 1504913345 HTZZKBLTAXILDZ-UHFFFAOYSA-N 451.556 2.233 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(CN2CCO[C@@H](C)C2)c1 1507514575 OLCZAWIXOBQHMH-UXHICEINSA-N 450.587 2.241 30 10 JEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)CC(=O)Nc1cccc(Cl)c1 1507573472 HYUOLCSZSACBRC-CQSZACIVSA-N 452.968 2.030 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1507628137 VCMYLQVLGRWYLI-FUHWJXTLSA-N 494.017 2.177 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@](C)(O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1507631193 MSAGQZNYAYGAHU-GBXCKJPGSA-N 465.579 2.183 30 10 JEEE C#CCN(c1nnc(COCC)n1CCc1c[nH]c2cc(F)ccc12)[C@H]1CCS(=O)(=O)C1 1507639261 XDLHMCIHTDACCQ-SFHVURJKSA-N 459.547 2.304 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@H]1CCC=CO1)[C@H]1CCS(=O)(=O)C1 1507640394 RHFRKYUIGGKTNJ-ZWKOTPCHSA-N 460.531 2.316 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(F)cc1Cl 1507671490 LRRZMLGCPQUCHU-FQEVSTJZSA-N 493.992 2.109 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)NC2CCCCC2)CC1 1507728365 YCUKZAHPZKQDFN-UHFFFAOYSA-N 475.597 2.323 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccn2C)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1507801947 ZGXAHQXJHLBJBB-XLIONFOSSA-N 462.620 2.125 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](Cc2ccccc2)C1 1507804819 KUBQPOMNNXBJMR-PDGJWGCVSA-N 489.642 2.317 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCN(C(=O)N(CC)CC)CC2)nnc1[C@]1(OCC)CCOC1 1507810714 LRZOQUUXRDCZMT-CZSZKKDXSA-N 490.649 2.495 30 10 JEEE C=C(C)Cn1c([C@H]2COc3ccccc3O2)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1507830633 NSYFQVCLVRXTNG-FXAWDEMLSA-N 462.572 2.397 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1508092811 RITYUAXYWOTOFG-RUZDIDTESA-N 468.602 2.419 30 10 JEEE C=CCNC(=O)Cn1c(N2CCO[C@@H](c3ccccc3F)C2)nnc1[C@@]1(OC(C)C)CCOC1 1508099155 VDIIWHMTCLSIAN-HYBUGGRVSA-N 473.549 2.338 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCO[C@H](c3ccccc3F)C2)nnc1[C@]1(OCC)CCOC1 1508150059 ZBHIYFXEKKUCIB-REWPJTCUSA-N 494.589 2.248 30 10 JEEE C[C@H]1C[C@@H](C)CN(C(C)(C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)[C@@H](C)CC#N)C1 1511978100 FPQFPGVZXQPWHZ-XWTMOSNGSA-N 453.657 2.383 30 10 JEEE CNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1517429905 HFXCNKNULQYWDR-KRWDZBQOSA-N 452.559 2.363 30 10 JEEE COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@H]2CCO[C@@H](C)C2)CC1 1518641698 CSFUOVPOUNCYGQ-OALUTQOASA-N 452.559 2.317 30 10 JEEE C#CCN(c1nnc(-c2c[nH]c3ccccc23)n1CCSCCCO)[C@@H]1CCS(=O)(=O)C1 1539216223 PJRDDWJDQUSZIJ-QGZVFWFLSA-N 473.624 2.169 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccnc(OC2CCCCC2)c1 1539239513 MGOHWPDDDCTQSN-GOSISDBHSA-N 470.599 2.116 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@H]1CCOC[C@H]1OC 1539301562 QIAUGASNXPCWHY-XMSQKQJNSA-N 468.554 2.485 30 10 JEEE C#CCN(CC)c1nnc(-c2cc(OC)ccc2Br)n1CCS(=O)(=O)N(C)C 1539350732 XGWLMCADTCHAOZ-UHFFFAOYSA-N 470.393 2.067 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(CC)CC)n1C[C@@]1(C)CN(C)C1=O 1539384556 KDTGNAYDSJOOPH-XMMPIXPASA-N 454.550 2.454 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@](C)(O)[C@H](C)CC)CC1 1539452349 PYOYDSFQYVQZGU-RNHFSVANSA-N 490.649 2.139 30 10 JEEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(CC(C)C)CC1 1539511109 QOFZVVQBSIISTK-UHFFFAOYSA-N 465.627 2.336 30 10 JEEE C#CCSCCn1c(N2CCC(NC(=O)C(C)C)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1539531549 WUIMWMAVHIAFPX-HSZRJFAPSA-N 463.648 2.426 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc2c1OCCCO2 1539670156 XYBKSLLVFMZAAU-FQEVSTJZSA-N 491.614 2.223 30 10 JEEE CN(C)CCS(=O)(=O)c1ccccc1C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 1540582031 BXTXIZHYOKLCNP-UHFFFAOYSA-N 454.596 2.242 30 10 JEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1540858078 GHKMRJQKMNFDBA-ROUUACIJSA-N 459.551 2.084 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1540898765 UIDSTNXMMFTYHE-GOSISDBHSA-N 470.599 2.357 30 10 JEEE Cn1nccc1C(=O)N1CCC([C@@H]2CN(c3ccc(C#N)c(C(F)(F)F)c3)C[C@H]2C(N)=O)CC1 1548397460 VZKPLIMZCOYDFD-ZWKOTPCHSA-N 474.487 2.401 30 10 JEEE C#CCN(c1nnc(-c2cccc3cccnc23)n1C[C@@H](F)COC)[C@@H]1CCS(=O)(=O)C1 1588046183 ZEFULVCFLDTQLM-QZTJIDSGSA-N 457.531 2.105 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@H](c1cccc(F)c1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1588064147 BPSHMCFMMZISRD-DHIUTWEWSA-N 496.612 2.333 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1CCS(=O)(=O)CC1 1588173750 JENGSJILTRUPPS-UHFFFAOYSA-N 488.013 2.149 30 10 JEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@@H](C)N1CCN(c2ccccc2)CC1 1588245816 RRAVLGDQTBUAOC-HSZRJFAPSA-N 473.625 2.074 30 10 JEEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2CC2CCN(C(=O)OC)CC2)CC1 1588857273 LMSUNVSKBJLPDT-UHFFFAOYSA-N 450.587 2.297 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](c2ccccc2)N(CC)CC)CC1 1588923791 MBROOJMTJRSMTE-DHIUTWEWSA-N 491.640 2.278 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CCOC)[C@@H](CCC)C1 1589485003 WZQKWFMAGAMWQZ-FSSWDIPSSA-N 474.650 2.432 30 10 JEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2ccccc2C)C1 1594732951 JTAPAWLEUDKNLG-NHCUHLMSSA-N 475.615 2.464 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)cc1 1595607908 LDEOLJFUCPTDGB-QZTJIDSGSA-N 475.615 2.385 30 10 JEEE C=CCOc1ccccc1Cn1c(Cc2ccncc2)nnc1N1CCN(C(=O)COC)CC1 1595659221 VPBKVWOLRLLWNE-UHFFFAOYSA-N 462.554 2.172 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1595773223 UZIPFOYUJDEKBE-GOSISDBHSA-N 459.576 2.497 30 10 JEEE CC(=O)N[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2nnc(C)s2)C1 1596463490 APDZAECYJXFVID-QGZVFWFLSA-N 452.544 2.042 30 10 JEEE C#CCOc1ccc(C(=O)N2CC[C@H](N3C(=O)O[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]43)C2)cc1 1644239734 KAFBWXDIQZUUIT-SXLOBPIMSA-N 455.511 2.353 30 10 JEEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCn3c(CCc4ccccc4)nnc3C2)cc1 1644558834 AWAFHTDVFYWQOE-UHFFFAOYSA-N 451.552 2.184 30 10 JEEE C=CCC1(O)CN(C(=O)c2cccc(NC(=O)C[C@@H]3SC(N4CCCCC4)=NC3=O)c2)C1 1645230232 YZRGLOKUCGGESW-SFHVURJKSA-N 456.568 2.262 30 10 JEEE COC(=O)c1c(C(=O)OC)c(-c2cccc(NC(=O)N3CC(O)(CC#N)C3)c2)n2c1CCC2 1673606404 CJZXFNZIKBAHEZ-UHFFFAOYSA-N 452.467 2.167 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1689851457 RDIGEQWPCSSSEG-BZSNNMDCSA-N 465.620 2.285 30 10 JEEE C#CCCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1689878448 IMXARFBFFNMDGK-UHFFFAOYSA-N 491.614 2.246 30 10 JEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2csc(CC)n2)CC1 1689893071 SYGLJGADRKZWNO-GOSISDBHSA-N 476.672 2.325 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Cl)n1CC1(C(N)=O)CCCC1)[C@@H]1CCS(=O)(=O)C1 1689986365 NZPWRGILDWJSBC-MRXNPFEDSA-N 476.002 2.271 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCSCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1689989233 CHKIHRGWQYNJQI-CABCVRRESA-N 466.551 2.094 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1cn(CCCC)nc1C)[C@@H]1CCS(=O)(=O)C1 1689993309 ANUAQAGMNURHDC-JOCHJYFZSA-N 481.626 2.244 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC2C[C@@H](C)O[C@H](C)C2)CC1 1690138261 XEGPIRNVKNGWKA-KYTVRQNUSA-N 487.645 2.488 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CCCn2cc(Br)cn2)CC1 1690146221 INWPTSXTIFTJNX-UHFFFAOYSA-N 476.423 2.492 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H](C)N2CCC[C@@H](C)C2)CC1 1690154070 JANHWBBNMSIQSY-VAPSRWTKSA-N 486.661 2.088 30 10 JEEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1690172313 BPABIEUSZPUBOD-FQEVSTJZSA-N 471.631 2.266 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccn2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1690243061 GXTCNHGGZNXOLZ-PXNSSMCTSA-N 460.604 2.182 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccc2C)nnc1N1CCN(CC(=O)NCC)CC1 1690243229 IMKXYDFEUZQDTJ-NZQKXSOJSA-N 452.603 2.493 30 10 JEEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1690294406 BTFJEXQUWYUMGX-ZDUSSCGKSA-N 456.494 2.351 30 10 JEEE C=C(Cl)Cn1c(Cc2ccccc2OC)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1690347514 HUJGUSUENAEGKV-UHFFFAOYSA-N 467.961 2.451 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)O[C@@H](c2ccccc2)C1 1690678415 VTZCKFWGIGYXIB-KMQSCTNJSA-N 455.559 2.271 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCS(=O)(=O)NC(C)C)C1 1690691282 BHZZBPXRRMLWQE-INIZCTEOSA-N 454.984 2.103 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(F)c(Cl)c2)C1 1690700655 VTSICEKZRNATPH-LPHOPBHVSA-N 499.996 2.233 30 10 JEEE CCCN(CC)CCn1c(C(=O)NC(C)C)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1695313243 BDQRMPRDAPRDRT-UHFFFAOYSA-N 470.597 2.486 30 10 JEEE CCN1CCN([C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCc2cnccn2)CC1 1695866770 AUXFTBROVHFQMC-HXUWFJFHSA-N 459.602 2.312 30 10 JEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1705527271 YKBRDSDWONTFAW-GLDPYIMESA-N 487.626 2.382 30 10 JEEE C#CCN(c1nnc(-c2cccc(Br)c2)n1C[C@H](F)COC)[C@@H]1CCS(=O)(=O)C1 1705561979 WOQJOMNNHSPNJI-DLBZAZTESA-N 485.379 2.319 30 10 JEEE C#CCN(c1nnc(CCOc2ccccc2)n1C[C@H]1CCSC1)[C@H]1CCS(=O)(=O)C1 1705568443 NQDMOCWHYHPTBA-MOPGFXCFSA-N 460.625 2.279 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)c1cccc(OC)c1 1705612652 LMUCCCFKIGPGAK-FQEVSTJZSA-N 475.615 2.057 30 10 JEEE C=C(C)CN(CC)c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1S(=O)(=O)N(C)C 1705707243 HKROTEAACHTGJY-UHFFFAOYSA-N 460.604 2.215 30 10 JEEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCn1cc([C@H]2CCOC2)cn1 1705836949 LIPQQZQZSUDBCP-IBGZPJMESA-N 485.614 2.218 30 10 JEEE C=CCN(CC=C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H]1CCN(S(C)(=O)=O)C1 1705873438 ITBVSZANMXYRQZ-SFHVURJKSA-N 497.625 2.135 30 10 JEEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1nccn1C(F)F 1705883413 HIPHTAWGKGCWRZ-UHFFFAOYSA-N 470.484 2.471 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1705895364 DMTGTMDDLLGWRF-QZTJIDSGSA-N 463.485 2.233 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2Cc2nccs2)C1 1705919729 JYWHCSQZCIMQDX-KRWDZBQOSA-N 474.612 2.482 30 10 JEEE C[C@@H](Oc1ccccc1F)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC(=O)N(C)C 1706928320 BEJNQHKDGVPGCJ-IAGOWNOFSA-N 493.547 2.022 30 10 JEEE CCc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CC1(S(C)(=O)=O)CCCC1 1709148306 FVTDKVKPCZLDTF-UHFFFAOYSA-N 456.616 2.392 30 10 JEEE CO[C@@H]1COCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1712100034 ASWCYMRAOVBCOG-QNWVGRARSA-N 482.585 2.133 30 10 JEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](CN2CCC(C)CC2)C1 1722323759 HRSBZNQZSOHSDX-PMACEKPBSA-N 450.653 2.250 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCC[C@H]1OC)[C@@H]1CCS(=O)(=O)C1 1722361201 FPKAJPQWVMMFIA-RCCFBDPRSA-N 463.991 2.435 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@H](C)N1CCOCC1 1722433305 ZVJOOYCBERHRGR-IBGZPJMESA-N 463.586 2.416 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2CCN(CCC)C2)CC1 1722443619 LLLLDYZGJZRRTK-LVXARBLLSA-N 486.661 2.016 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OCC)n2C[C@H]2CCCO2)CC1 1722450591 NGANCLOQWYHDQX-HXUWFJFHSA-N 467.570 2.401 30 10 JEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2ccc(CC)cc2)C1 1722451375 JMEWQLVCRIYEQL-FXAWDEMLSA-N 477.656 2.395 30 10 JEEE C#CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(C(=O)NCCOC)CC1 1722454502 LMLXFFKHLXZXDW-UHFFFAOYSA-N 485.610 2.062 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C1Cc2ccccc2C1 1722490954 GBRNERJMOJYKGL-LRQRDZAKSA-N 459.616 2.473 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1722494160 LSSFDAHDGRQJMB-JBACZVJFSA-N 470.530 2.176 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCc2c(ccnc2N(C)C)C1 1722495673 YHYWOFNTPATXLE-ICSRJNTNSA-N 453.591 2.421 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2cccn2C)n1C[C@]1(O)CCO[C@@H]1C 1730749791 CBSPAIOCBMPKIT-HOYKHHGWSA-N 450.543 2.348 30 10 JEEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1C[C@@H](c1cccc(C)c1)N1CCOCC1 1740557040 HNJRKRKJPHQFGG-UNMCSNQZSA-N 450.587 2.240 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCCOCC(F)F)[C@@H]1CCS(=O)(=O)C1 1740621341 VEKGEFOYGOZOMB-OAHLLOKOSA-N 473.933 2.292 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1nc(C(C)(C)C)cs1)[C@@H]1CCS(=O)(=O)C1 1740622046 STIRRAHKNLTQOT-MRXNPFEDSA-N 473.628 2.108 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@](C)(O)C2CCCCC2)CC1 1740692902 RAVXFLVDSQKITC-RPBOFIJWSA-N 459.635 2.405 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccc(OC)c(OC)c2)CC1 1740693092 TVAJECBWZGJJIA-RUZDIDTESA-N 469.586 2.139 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H](C)Oc2ccccc2OC)CC1 1740701051 SHFPVWYEHSHAOG-JTAQYXEDSA-N 469.586 2.233 30 10 JEEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1740864211 KFKHPIRXIOUGMF-RTBURBONSA-N 496.678 2.098 30 10 JEEE C=CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(C(=O)NCC)CC1 1740871012 NLOVZZMMVKMTAF-UHFFFAOYSA-N 474.635 2.364 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1740989581 RMOJNUROVDADAZ-GOSISDBHSA-N 458.544 2.124 30 10 JEEE C=CCSCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1741000379 PTUQTHFYDWCLED-UHFFFAOYSA-N 473.628 2.132 30 10 JEEE CC(C)CCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ncnn1C(C)(C)C 1741517578 IEJCUPVQPFCCNH-QGZVFWFLSA-N 462.624 2.341 30 10 JEEE CCc1nsc(N2CCCN(c3nnc(-c4ccc(C#N)cc4)n3CC(=O)NC(C)C)CC2)n1 1744744915 FSDHRAKVWOFQOT-UHFFFAOYSA-N 479.614 2.472 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2CC2([S@](C)=O)CC2)c1 1748691485 GNMSGYQXPNHJRY-FEERPNRMSA-N 499.637 2.286 30 10 JEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(C)s1 1748717650 FLDHWXGYHWJEEC-GOSISDBHSA-N 451.618 2.421 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1Cc1cccnc1OC)[C@@H]1CCS(=O)(=O)C1 1748808877 HUWWQYHTZBDEPR-GOSISDBHSA-N 467.551 2.032 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCCc1c[nH]nc1C)[C@H]1CCS(=O)(=O)C1 1748809425 MWYMFDUDXGGAMU-FQEVSTJZSA-N 468.583 2.245 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1csc([C@@H](C)OC)n1)[C@H]1CCS(=O)(=O)C1 1748818536 CGDJICYBMQYFQT-APWZRJJASA-N 486.623 2.103 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1Cc1cnc(C)s1)[C@H]1CCS(=O)(=O)C1 1748819990 WKLRZMKVBFUUMA-KRWDZBQOSA-N 459.572 2.448 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@@]1(O)CCS(=O)(=O)C1 1748868472 XNRJKFYFNUZCPA-YKSBVNFPSA-N 470.595 2.047 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)N2CCCC2)n1CCCN1CCN(CC)CC1 1748940008 BUHFXWHCPOFZCN-UHFFFAOYSA-N 481.620 2.321 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC1(O)CCS(=O)(=O)CC1 1748950109 FBEFTHVAZXGYOR-KRWDZBQOSA-N 492.667 2.157 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc(C#N)cc3)n2Cc2cnn(C)c2C)n1 1748970554 JIVUIWDUQCSNPS-UHFFFAOYSA-N 469.553 2.390 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OC)n2CCN2CCC[C@@H]2C)CC1 1749018851 GXIWXWVCBOHMIY-FQEVSTJZSA-N 480.613 2.316 30 10 JEEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1749032330 CQYFTOXDXKBXLV-GOSISDBHSA-N 460.629 2.019 30 10 JEEE C#CCSCCn1c(COc2ccc(C)cc2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1749046621 CZAKEOCKORLOQN-XMMPIXPASA-N 482.610 2.346 30 10 JEEE C#CCSCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1749047531 YHUKXMQGGCMTMX-HXUWFJFHSA-N 471.627 2.472 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1CC1(NC(=O)OC(C)(C)C)COC1 1749055923 QIMZAWREHZGKJZ-VWNXMTODSA-N 475.590 2.216 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC2(CCCCCC2)C1 1749268837 HUVQXCZAOXUQBJ-KRWDZBQOSA-N 474.027 2.293 30 10 JEEE C=CCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1749412015 IXNMZKQFRFPXTK-FQEVSTJZSA-N 479.589 2.336 30 10 JEEE C=CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1NC(=O)CC1(C)C 1749599523 GLSXRSJSDINUHU-LJQANCHMSA-N 468.606 2.006 30 10 JEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCN(CCc2cccs2)CC1 1749676292 LFYAVTWDDWEETR-UHFFFAOYSA-N 471.656 2.362 30 10 JEEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(Cl)=C(Cl)C1 1749756035 QRKNYYLPIZZXAH-OAHLLOKOSA-N 482.459 2.430 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2cnccn2)n1C[C@H]1CCOC[C@H]1OC 1749806212 HYEALDLZDFADOX-IFMALSPDSA-N 463.542 2.311 30 10 JEEE Cc1nc(CCn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@](C)(C(N)=O)C2)cs1 1751791761 IAGXTANACTZUOC-QFIPXVFZSA-N 451.556 2.438 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1CCN(C(C)=O)CC1 1760110675 GJFCMMHDGLPQNL-QGZVFWFLSA-N 461.570 2.391 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCNc1nccc(C(F)(F)F)n1 1760127259 URUVDZMPAXFTMX-YCPHGPKFSA-N 453.469 2.381 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CCC(=O)N[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1760183241 NWANGWPBHKMIET-WIYYLYMNSA-N 471.627 2.439 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(C)(C)OCC 1760212733 COIHZRXUGQAIJB-UHFFFAOYSA-N 457.600 2.473 30 10 JEEE C#CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(CC(N)=O)CC1 1760281318 MIDNUYPZQMGOFY-GOSISDBHSA-N 492.646 2.045 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ncc(CC)s2)CC1 1760389356 JGKWZKVBAYOQSQ-QGZVFWFLSA-N 466.633 2.029 30 10 JEEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 1760432807 MXNOHPXFFHPMAI-CVEARBPZSA-N 456.613 2.206 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1760517108 COCWWSQYQFPWAR-CABCVRRESA-N 480.294 2.263 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1760555151 YNXXIGNQSNGWFC-UHFFFAOYSA-N 469.549 2.490 30 10 JEEE CC(=O)N1CCN([C@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCOCC(F)F)C[C@@H]2C)CC1 1760621458 HJLFKJMJJDXWOP-UWJYYQICSA-N 487.555 2.087 30 10 JEEE CC[C@@H](C)NC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C(=O)OC)C1 1762050185 BUERONIESYMHFX-AEFFLSMTSA-N 454.531 2.033 30 10 JEEE CCO[C@@]1(c2nnc(N3CCC(C#N)CC3)n2CC2(S(C)(=O)=O)CCCC2)CCOC1 1767423168 AINLMXGIEDNJSN-NRFANRHFSA-N 451.593 2.028 30 10 JEEE COc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@H](C)CC#N)cc1Cl 1768671360 GNIMYWFVGZYEKU-RDTXWAMCSA-N 482.994 2.060 30 10 JEEE COCCN(C)CCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@](C)(C#N)C1 1771074832 HEOAIROXMLWUBQ-QHCPKHFHSA-N 474.631 2.447 30 10 JEEE COc1cc2c(cc1OC)CN(C(=O)[C@@H]1CCN(S(=O)(=O)c3ccccc3C#N)C1)CC2 1858422343 RLJVCWRKVWLNCI-GOSISDBHSA-N 455.536 2.171 30 10 JEEE C=CCN(CC=C)C(=O)[C@@H](Cc1ccc(OC(C)=O)cc1)NC(=O)c1cc(C)cc(S(N)(=O)=O)c1 1869036038 ITPUELGJCKMQEC-HSZRJFAPSA-N 499.589 2.109 30 10 JEEE C=CCOc1ccccc1OCC(=O)N1CCN(C(=O)[C@H]2CC(=O)N(c3ccccc3F)C2)CC1 1873780915 GSUWWZFSRQBPMZ-IBGZPJMESA-N 481.524 2.493 30 10 JEEE CCOc1ccc(OCc2nnc(SCC(N)=O)n2/N=C/c2ccc(O)c([N+](=O)[O-])c2)cc1 1874235463 JVVUADBSFDRDQB-LSHDLFTRSA-N 472.483 2.329 30 10 JEEE C[C@@H](C#N)OCCS(=O)(=O)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1990652728 DHUPXXWQZNEPMP-BTYIYWSLSA-N 472.519 2.322 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)NC[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 2060134704 CEUKFTPXZGJIMI-OPAMFIHVSA-N 454.568 2.452 30 10 JEEE O=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC1CCCCC1)NC(=O)c1cc2ccccc2[nH]1 2069637576 HPKJGHVHQWJOOT-ZJOUEHCJSA-N 452.555 2.447 30 10 JEEE CC1(C)OB(c2ccc(F)c(CNS(=O)(=O)N3CC(OCc4ccccc4)C3)c2)OC1(C)C 2161946010 AZHOXGYMUAHUNY-UHFFFAOYSA-N 476.379 2.360 30 10 JEEE COC(=O)[C@@H](CC(=O)NCc1cccc(B2OC(C)(C)C(C)(C)O2)c1)NC(=O)OC(C)(C)C 2180991735 QNGTWQAYJQFBDC-QGZVFWFLSA-N 462.352 2.058 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H](O)CNC(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1Cl 2255542843 YMFKYIMSINVFPK-ZDUSSCGKSA-N 454.760 2.255 30 10 JEEE Cc1c(B2OC(C)(C)C(C)(C)O2)csc1C(=O)NC[C@](C)(CO)NC(=O)OC(C)(C)C 2255597185 HMOBLYPHSICYQX-OAQYLSRUSA-N 454.398 2.361 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@H]1CNC(=O)c1csc(B2OC(C)(C)C(C)(C)O2)c1 2255706576 KVJFPTKANCQMKB-OAHLLOKOSA-N 452.382 2.413 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)sc1CNC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)O 2256622366 GOCMKQKKXMDMDP-BBRMVZONSA-N 454.398 2.246 30 10 JEEE CN(C(=O)OC(C)(C)C)[C@H]1COC[C@@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2256624970 ZKAGURRONBAAQV-STQMWFEESA-N 453.370 2.263 30 10 JEEE C[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2256626831 OPKVGGSTIWRECF-ZENOOKHLSA-N 454.398 2.499 30 10 JEEE CN(C[C@@H](O)CNC(=O)OC(C)(C)C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1F 2266983169 DEFPRHTWSRNSLJ-HNNXBMFYSA-N 452.332 2.083 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H](O)C2)s1 2267094217 CNNNFPVVIRKVFQ-OAHLLOKOSA-N 466.409 2.410 30 10 JEEE CC(C)CN(CCNC(=O)OC(C)(C)C)C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2267510977 VBIVSCQFXRJMRU-UHFFFAOYSA-N 450.389 2.342 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@]1(NC(=O)OC(C)(C)C)CCOC1 2267527572 JMGOWNNWLFJAJW-NRFANRHFSA-N 467.397 2.164 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2269699971 PGNTVCGYZYTMJN-INIZCTEOSA-N 452.332 2.017 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2F)[C@@H](O)C1 2281791116 WYTFBZSMTYUMGQ-KSSFIOAISA-N 464.343 2.083 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@H](NC(=O)c3ccccc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2281945245 LMQWEIGSKHMQCA-NEWSRXKRSA-N 458.364 2.350 30 10 JEEE C[C@@H](NC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 2281974785 ZDPWKJICHLJWJE-HZPDHXFCSA-N 462.400 2.485 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)(C(F)(F)F)C1 2281988507 NPRBMDSYYUWODN-LJQANCHMSA-N 474.289 2.381 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H]2OCCN(C(=O)c3sncc3B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2282055801 JJQYMLGRMVNHTO-CVEARBPZSA-N 479.408 2.293 30 10 JEEE Cn1ncc(C(=O)N2CC[C@H]3CCN(C(=O)OC(C)(C)C)[C@@H]3C2)c1B1OC(C)(C)C(C)(C)O1 2282057075 BSAKGWYHOGCZSI-DOTOQJQBSA-N 460.384 2.191 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@]2(NS(=O)(=O)c2ccc(F)c(B3OC(C)(C)C(C)(C)O3)c2)C1 2282512320 RYTAYFSBGQRFRK-RCDICMHDSA-N 482.383 2.413 30 10 JEEE CC[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282540106 DYHUXJYBGANPEA-NVXWUHKLSA-N 462.400 2.485 30 10 JEEE Cc1c(C(=O)N2C[C@H](CNC(=O)OC(C)(C)C)C[C@@H]2C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282552708 MHKMEAFPHAAHLO-HOCLYGCPSA-N 462.400 2.403 30 10 JEEE C[C@H]1C[C@H](NC(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)CCN(C(=O)OC(C)(C)C)C1 2282588891 JHOMHYROUPMZFL-JKSUJKDBSA-N 462.400 2.485 30 10 JEEE CC1(C)OB(c2c[nH]c(C(=O)N3CCO[C@@H]4CCN(Cc5ccccc5)C[C@H]43)c2)OC1(C)C 2282645503 JIZYRULWMKCCSY-FGZHOGPDSA-N 451.376 2.429 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](F)CN1S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282858222 TYLVDPCLLILVEQ-JKSUJKDBSA-N 485.387 2.007 30 10 JEEE Cc1cnc(C(=O)N[C@@H](COCc2ccccc2)CC(=O)O)c(B2OC(C)(C)C(C)(C)O2)c1 2284334367 DJQDLOTYNAOBHC-GOSISDBHSA-N 454.332 2.479 30 10 JEEE COC(=O)CSc1nnc([C@H]2CC(=O)N(Cc3ccccc3)C2)n1N=Cc1ccncc1 2325921228 XKYSXGYFMSFCSS-SFHVURJKSA-N 450.524 2.337 30 10 JEEE CC(C)N1C[C@@H](c2nnc(SCC(=O)Nc3nccs3)n2N=Cc2cccnc2)CC1=O 2329018204 YIGGVGAZSYBBDD-HNNXBMFYSA-N 470.584 2.467 30 10 JEEE COc1nc(O[C@H](CNC(=O)OC(C)(C)C)CN(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2339825174 OGIXYWGNHUOJEY-OAHLLOKOSA-N 451.373 2.223 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@H]3C2)n1C 2362490329 QXWNPAVQILNJJP-PMACEKPBSA-N 450.392 2.374 30 10 JEEE COC[C@]1(C)C[C@@H](NC(=O)OC(C)(C)C)CN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2364215855 XKHJYUSGOONWEB-MWTRTKDXSA-N 463.384 2.458 30 10 JEEE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)NCc1sc(Cl)cc1C#CCO 2369942780 YDKJPQMQLYWHMW-UHFFFAOYSA-N 466.968 2.241 30 10 JEEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CSC[C@H]2C(=O)Nc2ccc(C#N)cc2)c1 502468557 ONTQVIXZPSEMDZ-IBGZPJMESA-N 456.549 2.176 30 10 JEEE C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)N(C)CC(=O)N1CCOCC1 503703080 XHTHLYKVDWTOEA-UHFFFAOYSA-N 479.990 2.106 30 10 JEEE C=CCN(CC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1)Cc1cccc([N+](=O)[O-])c1 521717963 CMBORBWMTSUNEA-UHFFFAOYSA-N 488.566 2.125 30 10 JEEE N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(=O)NCCCN1CCCS1(=O)=O 609406490 SIVXXHBSVFEQNA-UHFFFAOYSA-N 478.518 2.191 30 10 JEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)c1 745339955 UTBSRTDAIKPONH-UHFFFAOYSA-N 480.464 2.467 30 10 JEEE CC#CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](CCO)C(=O)O 757210929 NEYNUOHILHQETN-FGZHOGPDSA-N 450.491 2.259 30 10 JEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(C)n(CCOC)c2C)c(=O)n1-c1ccccc1C 917355589 JTQWVPHRPGUNQA-UHFFFAOYSA-N 476.602 2.077 30 10 JEEE C=C1C(=O)O[C@@H]2C=C(C)[C@@H](OC(C)=O)CC=C(COC(C)=O)C[C@@H](OC(=O)/C(C)=C/CO)[C@H]12 1082197300 HPWMABTYJYZFLK-UATHVRJXSA-N 462.495 2.096 30 10 JEEE COc1ccc(C=NNc2nnc(SCC(=O)Nc3ccc(OC)c(OC)c3)n2N)cc1OC 1083906879 BJOQAOOAADCHCY-UHFFFAOYSA-N 487.542 2.203 30 10 JEEE COc1ccccc1CNC(=O)CSc1n[nH]c(NN=Cc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1 1083912869 PYKSZFJFVIBLKT-UHFFFAOYSA-N 486.470 2.484 30 10 JEEE CC[C@H](C)c1ccc(NC(=O)CSc2nnc(NN=Cc3c(C)nn(CCO)c3C)n2N)cc1 1084270210 RDWKAZCATCUAGB-AWEZNQCLSA-N 485.618 2.488 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1cccc(N(C)C)c1)[C@H]1CCS(=O)(=O)C1 1286386588 DHKCCTCVSJPTRM-FQEVSTJZSA-N 450.568 2.081 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ccc(Cl)nc1 1286401128 JRVLNXXGEZHQMN-UHFFFAOYSA-N 468.970 2.365 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@](C)(OC)C1CC1 1286410672 VNIMLOPYVSUFKP-DVECYGJZSA-N 457.575 2.474 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(Cl)nc2)CC1 1286495553 ZFTKJXFAHAMGMU-ICSRJNTNSA-N 472.977 2.065 30 10 JEEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 1286530129 GOULBDCUSSCREW-UHFFFAOYSA-N 490.406 2.086 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCCN2CCCC[C@@H]2C)CC1 1286645477 CWHHBYYZMGRZGO-SFTDATJTSA-N 480.679 2.422 30 10 JEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(F)(F)C2(OC)CCOCC2)CC1 1286651948 QLQLGCOAGMXFEG-HNNXBMFYSA-N 477.578 2.122 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1286782140 LQJRMBNAWXIWMW-ROUUACIJSA-N 476.375 2.394 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1286787163 PXKQYKUIIUCWGJ-UHFFFAOYSA-N 491.600 2.017 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1286788644 APNGNGRBZHRBCE-UHFFFAOYSA-N 475.590 2.248 30 10 JEEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCc2c(ccnc2N(C)C)C1 1286790092 NQIBAADTTAQAHA-UHFFFAOYSA-N 475.597 2.398 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC(NC(=O)Nc2ccccc2)CC1 1286818471 JCTIGJWXQSWBGL-UHFFFAOYSA-N 498.613 2.070 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN(C(=O)c2cccc(Cl)c2)CC1 1286823521 VXRMLDSQXSKFDF-UHFFFAOYSA-N 478.018 2.447 30 10 JEEE C=CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCS(=O)CC1 1286831132 UYVAAJJQTKYVLA-UHFFFAOYSA-N 458.613 2.163 30 10 JEEE CC(C)CCN(CCC#N)c1nnc(-c2ccc3c(c2)OCCO3)n1CC(=O)N1CCOCC1 1287597296 GHJFAQQOFFSENP-UHFFFAOYSA-N 468.558 2.341 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1c(C)nn(C)c1C 1300317151 KXRGZIPQIBMEOT-HXUWFJFHSA-N 460.630 2.499 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2CCCC2)c1 1300334059 HONZKIFTJUYFRP-LJQANCHMSA-N 455.584 2.427 30 10 JEEE C#CCCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1300394652 UXJBDNDRRCPZLW-SFHVURJKSA-N 478.557 2.298 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1300486794 BGTHIJLICUTWEA-ROUUACIJSA-N 488.614 2.299 30 10 JEEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CCS(=O)(=O)c1ccccc1 1300558885 FOGXKIXSXRZNDD-DEOSSOPVSA-N 470.595 2.256 30 10 JEEE C#CCN(CC#CC)c1nnc(COc2ccc(C)c(C)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1300591678 VWOVWGYOBYGYKE-IZHYLOQSSA-N 472.549 2.463 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@](C)(O)c2ccco2)CC1 1300719189 QWMLHKICOIUPHG-AREMUKBSSA-N 493.564 2.429 30 10 JEEE C#CCSCCn1c(-c2cc(F)ccc2Br)nnc1N(C)CCNS(C)(=O)=O 1300742809 AISAXSDQUAAEOJ-UHFFFAOYSA-N 490.424 2.199 30 10 JEEE C#CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCS(=O)CC1 1300778126 NDLBVPRUUHZTFX-INIZCTEOSA-N 453.634 2.285 30 10 JEEE C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC(C)(C)C1 1300848675 HLPASQMAEJDDQT-AWEZNQCLSA-N 462.414 2.146 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(O)cc2)CC1 1300877056 VYDGRNSRSUPXKZ-NQIIRXRSSA-N 454.575 2.430 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCSC2(CCOCC2)C1 1301515832 ZRNQVPYODRMLOL-UHFFFAOYSA-N 468.583 2.133 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2sc(C)nc2C)C1 1301556764 JGFQKZMDUUTCOV-IAGOWNOFSA-N 451.618 2.278 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](c2ccc(F)cc2Cl)C1 1301568647 VPPXZLCHTUKDKL-SFHVURJKSA-N 499.996 2.388 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@H](c1ccsc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1358965330 SKLGGZVVJHODFU-LEWJYISDSA-N 484.651 2.255 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@H](C)Oc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1358965630 YOISITXUVOGTPV-GHTZIAJQSA-N 483.569 2.497 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CC(=O)NC1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1358967303 HUEINMIGRMRQGV-OAQYLSRUSA-N 499.637 2.241 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1ccc(OCCC)nc1 1358976549 IHCHRLWPRSYYGW-UHFFFAOYSA-N 467.533 2.497 30 10 JEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@@H](c1ccsc1)N(C)C 1359023651 QQZZNOWTUQETBD-SFHVURJKSA-N 456.572 2.456 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCC(F)(F)C2)n1 1359027315 DXSKCHVCPKQEMF-SFHVURJKSA-N 475.544 2.432 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCN2CCOC(C)(C)C2)CC1 1359031124 QXYMRVAQEVJIGB-UHFFFAOYSA-N 474.556 2.413 30 10 JEEE CC(C)COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1360043291 GXDSLGGDPAVGQV-LJQANCHMSA-N 486.598 2.166 30 10 JEEE COC(=O)NCc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 1360278138 FARNRXHGGVNIOD-UHFFFAOYSA-N 456.524 2.454 30 10 JEEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(F)c1 1435550461 CYIRZOTXHNOVCX-AFBRZQFHSA-N 456.909 2.397 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)N2CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C2)ccc1F 1453718536 JCOYLTGQZJTSJS-GDBMZVCRSA-N 459.515 2.367 30 10 JEEE N#Cc1c[nH]ccc1=NC(=O)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 1456106259 GHSWVGRHGUZAEB-UHFFFAOYSA-N 455.359 2.239 30 10 JEEE CCc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3nccnc3C#N)C[C@H]2C)s1 1498007863 BRNJLWWSWPXUOM-MRXNPFEDSA-N 479.614 2.465 30 10 JEEE CO[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2C#N)CC1)C(C)(C)C 1503983554 CICSBFVGQQRFMW-PZJWPPBQSA-N 486.642 2.440 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OCC)CCOC3)n2CCn2ccnc2C)c1 1507549717 MFMXJLBYOZYFJU-RUZDIDTESA-N 477.569 2.192 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CCC3)n2C[C@H]2CCCN2S(C)(=O)=O)c1 1507551088 VFBLWGKIBKJGIT-HXUWFJFHSA-N 470.599 2.026 30 10 JEEE C#CCN(c1nnc(COCC)n1C[C@@H](c1ccc(C)cc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1507638422 QUUYPJSJOZVJSX-SFTDATJTSA-N 459.616 2.053 30 10 JEEE C#CCSCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1Nc1cnn(C)c1 1507755634 PQROSBJBMQGGMD-UHFFFAOYSA-N 450.616 2.486 30 10 JEEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1507786365 WXJZPHPNAUESKR-OALUTQOASA-N 489.418 2.429 30 10 JEEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](c2cccc(F)c2)C1 1507964831 MAMNSOWWOYQYPD-FPOVZHCZSA-N 493.605 2.337 30 10 JEEE C=CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)Cc1ccc(C(N)=O)cc1 1508051936 VGLFBEORSJFMBB-UHFFFAOYSA-N 453.572 2.468 30 10 JEEE CCOC1CC(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CC)(N2CCOCC2)C1 1516366436 DDZJCOCDMLOIND-UHFFFAOYSA-N 454.575 2.455 30 10 JEEE COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1Cc1cc(OC)nc2ccccc12 1519160483 BPEGPBZCDDMIFZ-UHFFFAOYSA-N 463.542 2.486 30 10 JEEE C#C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)c1ccc(F)cc1 1525018774 FMDWIAFVDJGAGF-HXUWFJFHSA-N 458.511 2.488 30 10 JEEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCN(Cc2nc(O)c3c4c(sc3n2)CCCC4)CC1 1529448051 AVPHCVQEZFDLAM-QGZVFWFLSA-N 457.600 2.391 30 10 JEEE C#CC[C@@]1(C(=O)NCC(=O)Nc2ccc(-n3cncn3)cc2)CCCN1C(=O)OC(C)(C)C 1536736069 MLJUYILTPMLSCY-QHCPKHFHSA-N 452.515 2.115 30 10 JEEE C=CCc1ccc(OCC(=O)NCC2CCN(S(=O)(=O)C(F)(F)F)CC2)c(OC)c1 1537899085 OPFHBDNPUIMTHX-UHFFFAOYSA-N 450.479 2.480 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc(C)o3)n2CCS(=O)(=O)CC)c1 1539040315 QUXNPBXYLZOSRW-UHFFFAOYSA-N 455.540 2.337 30 10 JEEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@]1(N2CCOCC2)CCSC1 1539146120 YQFJSPYIICZNKJ-HSZRJFAPSA-N 489.045 2.139 30 10 JEEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC(C)(C)N1CCOCC1 1539172383 YJAGMHSOOPUSBC-UHFFFAOYSA-N 463.586 2.245 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1Cc1ccc(C)s1)[C@@H]1CCS(=O)(=O)C1 1539202888 LUZWICVYNUNOGM-QGZVFWFLSA-N 463.629 2.241 30 10 JEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCc1cccc(C(=O)NC)c1 1539266213 NPXPOGPERLPNCL-UHFFFAOYSA-N 482.592 2.127 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cnn(CC)c1 1539325673 LNRSHMBWNRJJIZ-HXUWFJFHSA-N 467.574 2.314 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H]2CSCCS2)CC1 1539428273 OPDXFSCVONOMGX-LJQANCHMSA-N 491.086 2.465 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC2(S(C)(=O)=O)CCCC2)CC1 1539440934 DZFODBDSYDLFPJ-UHFFFAOYSA-N 487.626 2.075 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@]2(O)CCO[C@H]2C)CC1 1539470367 NCGQNEKQJFBIMC-HJPURHCSSA-N 457.962 2.104 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@@H](C(=O)NCC(F)(F)F)C2)cc1 1540877916 JIEZWAAFXRDCOT-AEFFLSMTSA-N 492.502 2.347 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ncnn2C(C)(C)C)C1 1540882824 OTFOCMYVDJDTAK-INIZCTEOSA-N 451.535 2.102 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1540903301 CLVJYIORABCHJY-MBSDFSHPSA-N 478.590 2.383 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C(=O)OCC)CC1 1540903348 DDFDEGCDDKSQHR-UHFFFAOYSA-N 482.006 2.402 30 10 JEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2F)C1 1586840729 AYPBNXNUUJXCGD-XJKSGUPXSA-N 450.923 2.413 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@](C)(O)[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1588035410 UELRETFXWUXADQ-GWJPWWOOSA-N 460.600 2.378 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@@H]1CCC[C@H](O)C1)[C@@H]1CCS(=O)(=O)C1 1588035818 XZUGFTMRJINFHC-RLLQIKCJSA-N 458.584 2.132 30 10 JEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1CCCO[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1588059387 NARDVUGJTDLLIX-SFTDATJTSA-N 493.029 2.345 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@H]1CCC=CO1)[C@H]1CCS(=O)(=O)C1 1588069127 HRYYABPROUDZGH-AZUAARDMSA-N 460.531 2.316 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCC(=O)N(CC)CC 1588144060 RUQDERWFVRVUSP-HXUWFJFHSA-N 486.617 2.308 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCC(F)(F)C2)n1 1588724382 XTFOIQYWCANJJS-ZWKOTPCHSA-N 496.584 2.098 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCc2ccc(F)c(F)c2)CC1 1588891351 OGWUGHOUSOMRGZ-RUZDIDTESA-N 487.551 2.417 30 10 JEEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1589442839 DYDSGSMMLFETAF-BEFAXECRSA-N 454.369 2.083 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)c(F)c1)C1CC1 1595058164 CMKOKTYISVCBEN-SFHVURJKSA-N 453.515 2.092 30 10 JEEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@H](COCC)C1 1595490283 ONOOPPGOSLBMIY-SFHVURJKSA-N 489.646 2.102 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1595501529 XDBXRZJQDQBGEX-UHFFFAOYSA-N 474.631 2.017 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1595822442 HJXLSMAZNMOARG-UHFFFAOYSA-N 491.621 2.257 30 10 JEEE CC(C)(C)[S@@](=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cnccn2)CC1 1597706414 GZVDGTJXLSBTTR-XIFFEERXSA-N 464.599 2.481 30 10 JEEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(Oc3ccc(Cl)nn3)c(Cl)c2)C1=O 1626388493 KEKIVNFKQDSYLV-UHFFFAOYSA-N 450.238 2.491 30 10 JEEE C=CC[C@@]1(C(=O)N2CCC(N3CCS(=O)(=O)CC3)CC2)CCCN1C(=O)OC(C)(C)C 1631725452 PPQANRUTCCQWLT-QFIPXVFZSA-N 455.621 2.054 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ccnc(-n2cccn2)c1 1689835918 VBMOQTUEUQYTSU-SFHVURJKSA-N 490.593 2.282 30 10 JEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@@H](SC)C1 1689892371 DHBZTEZHSQKDIP-QZTJIDSGSA-N 455.650 2.136 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Cl)n1CCc1ccn(C)n1)[C@H]1CCS(=O)(=O)C1 1689986562 SICKDKFPFQQGMT-KRWDZBQOSA-N 458.975 2.201 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)c1ccc(OC)c(OC)c1 1690019116 BDEHWNCDRILOQJ-SFHVURJKSA-N 470.595 2.248 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(CN2CCCCC2)cc1 1690019387 HBTATRJLCLTWJI-QHCPKHFHSA-N 465.623 2.287 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCn2cc(Br)cn2)CC1 1690115249 YOMPQINBTMZXAK-UHFFFAOYSA-N 485.346 2.268 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@H](C)N2CCOCC2)CC1 1690139303 GWYLEVKCEAPMNT-FQEVSTJZSA-N 464.614 2.194 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CCn2cncn2)CC1 1690139613 UQUIKNIGLWVRFL-UHFFFAOYSA-N 497.401 2.274 30 10 JEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N(C)CC1CN(C(=O)OCc2ccccc2)C1 1690170525 MCSATCYDJLFDIF-HXUWFJFHSA-N 482.610 2.300 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1690313474 VKTMVCNWMCQKPI-FQEVSTJZSA-N 479.647 2.002 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2cccc(F)c2)C1 1690313627 ZGCIYVZNGMXLDW-QUCCMNQESA-N 464.563 2.490 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1690660242 BXNVAMMTONGREF-IAGOWNOFSA-N 498.563 2.434 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(c2ccccn2)CC1 1690678473 XLLDOVSPLBJUHE-WIYYLYMNSA-N 453.591 2.221 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CCCC(=O)N(C)C)C1 1690697535 XHSFSIRRGNJYDH-SFHVURJKSA-N 479.585 2.325 30 10 JEEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCc1nnc2n1CCCCC2 1692740995 DERNXRRXXSYQQZ-QGZVFWFLSA-N 482.614 2.247 30 10 JEEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCNS(=O)(=O)Cc2ccon2)C[C@H](C)S1 1693782175 CFJBUJPYVGRGHW-HOTGVXAUSA-N 487.611 2.255 30 10 JEEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1705525648 PXMOKFNBYOQFSP-UHFFFAOYSA-N 471.363 2.046 30 10 JEEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1705544864 GOVKFVVEKJYROY-OAHLLOKOSA-N 455.506 2.302 30 10 JEEE C#CCN(C)c1nnc(COc2ccc(OC)cc2)n1C[C@@]1(N2CCOCC2)CCSC1 1705556962 JAAKAPBJCSZZJM-QHCPKHFHSA-N 457.600 2.143 30 10 JEEE C#CCN(c1nnc(COc2ccccc2OCC)n1C[C@H]1CC=CCO1)[C@@H]1CCS(=O)(=O)C1 1705568874 WQNWKIAQSUOHLC-WOJBJXKFSA-N 486.594 2.228 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2Cc2ccc(OC)c(F)c2)CC1 1705650717 YEOZSGHRTJGYFG-UHFFFAOYSA-N 462.529 2.426 30 10 JEEE C#CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@](F)(C#N)C1 1705659016 IZBQYACGRVZMOZ-QFIPXVFZSA-N 451.531 2.483 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CCNC(=O)[C@H]1CC 1705896310 IMUDVBFTXYQACP-OAHLLOKOSA-N 481.782 2.378 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCN(CCN2[C@H](C)CC[C@H]2C)CC1 1705899552 XBCCMJUUMFPNID-NHCUHLMSSA-N 451.619 2.242 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 1705900053 OITZKOUZOUOQTJ-UHFFFAOYSA-N 453.934 2.078 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](c2ccccc2C)C1 1705929967 BZJLRYBDUUONBC-FQEVSTJZSA-N 496.593 2.413 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCO[C@@H](Cc2ccccc2)C1 1705932061 JXQLWPHUZWPDCJ-FQEVSTJZSA-N 453.568 2.389 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CC(C)(C)CN(C)C 1706619536 GVRJZCBLIJMIAH-UHFFFAOYSA-N 470.597 2.341 30 10 JEEE C[C@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(CCC#N)CC1CC1)N1CCOCC1 1706781299 DFUVOQOXCQXXNK-GOSISDBHSA-N 472.615 2.199 30 10 JEEE CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)C[C@H]1C 1710277258 AWIRJMBQXZFRQE-NFBKMPQASA-N 478.645 2.290 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1Cc1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1722363595 ANTSUMQMKXGUKT-LJQANCHMSA-N 457.531 2.288 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1c(C)nn(C)c1C 1722384761 SQRMHXIYPZKDBX-HXUWFJFHSA-N 467.574 2.058 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cn2ccsc2n1 1722417641 OASDORUXRDUAFQ-OAHLLOKOSA-N 487.586 2.425 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCC1(O)CCOCC1 1722433278 ZFTQHQYAVLLJJW-UHFFFAOYSA-N 450.543 2.066 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCc2c(C)noc2C)CC1 1722443745 NFEQDTAYUWAOII-RUZDIDTESA-N 484.601 2.132 30 10 JEEE C=C1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC(=O)NCC(F)F)CC1 1722566457 RTBSWRLOCOBUTB-OAHLLOKOSA-N 470.521 2.124 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1722692084 WLTNCOSGRILYKR-GBESFXJTSA-N 452.559 2.052 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1722695149 VEVDHCCWKFMGEM-MRXNPFEDSA-N 486.573 2.368 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2C[C@@H](F)COC)C1 1722709908 BFYZXEJTAIVKST-IAGOWNOFSA-N 466.583 2.312 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1722729671 SXLUGHJQMLZVTD-WOJBJXKFSA-N 457.600 2.026 30 10 JEEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCCS2(=O)=O)C[C@H](C(F)(F)F)O1 1726670059 CCPOJEOBQRHKJE-WMLDXEAASA-N 484.504 2.008 30 10 JEEE CN(CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCO[C@H](C#N)C1)C(=O)OC(C)(C)C 1729533273 BVYUTNBIIXGZSF-VQIMIIECSA-N 470.530 2.386 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H]2CCOC2)c1 1740562489 NWZMYPQOZWWKAB-NBGIEHNGSA-N 467.570 2.411 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(CC)CC)n2CC2(O)CCC2)c1 1740563194 WVASRAZFDCBEKB-UHFFFAOYSA-N 452.559 2.168 30 10 JEEE C#CCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1740595528 GMHKOJTVJVCSFH-UHFFFAOYSA-N 451.980 2.442 30 10 JEEE C#CCN(c1nnc(COc2ccccc2OC)n1Cc1ccco1)[C@H]1CCS(=O)(=O)C1 1740628823 UUVVHUWXJVFVLV-KRWDZBQOSA-N 456.524 2.134 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCS(=O)(=O)CC2CC2)CC1 1740701636 NMQYOAQJLGXXHR-UHFFFAOYSA-N 490.029 2.389 30 10 JEEE C=C(Cn1c(C(=O)NC(C)C)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C)c1ccccc1 1740796544 BNQQFNZRXIKSLU-TZIWHRDSSA-N 468.602 2.497 30 10 JEEE C=C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC[C@H](C(F)F)N2CCOCC2)CC1 1740817787 TWDIISLCCSBIJG-QGZVFWFLSA-N 461.517 2.438 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCC(CC(N)=O)CC1 1740956249 JAKOUWVBZBJWER-UHFFFAOYSA-N 479.354 2.241 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCc2cc(OCC(C)(C)F)ccc2C1 1740957994 GMFGDJZOMJGZJY-LJQANCHMSA-N 470.549 2.221 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1740963886 AGIHCWFNTXFJHM-HKARXFIJSA-N 459.522 2.071 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](Oc2ccccc2)C1 1740990387 SQQBXFUPERNVAY-FQEVSTJZSA-N 456.572 2.327 30 10 JEEE CCN(CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1)CCC(F)(F)F 1746317150 GSWDTRJNZXHMHU-SFHVURJKSA-N 476.507 2.305 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C 1748671864 NSGXKIKMYQDVTO-WNRNVDISSA-N 465.620 2.284 30 10 JEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1748735046 MMPOFGDLWVOAJN-HXUWFJFHSA-N 484.626 2.200 30 10 JEEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(CCOCC)CC1 1748752405 WKDWLIGIUMUENP-UHFFFAOYSA-N 452.607 2.024 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1C[C@@H](c1ccc(C)o1)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1748803914 BAPGRTSTNFHKHW-GIVPXCGWSA-N 489.642 2.393 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCN(C)[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1748810244 UXKAWILAZGOWLZ-NQIIRXRSSA-N 454.600 2.174 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCCO[C@H]1C(C)C)[C@@H]1CCS(=O)(=O)C1 1748821140 MFIVHDUHLMOZRF-XJUOHMSHSA-N 488.658 2.218 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CC12CCOCC2 1748964616 KTZIXYSEOBNBBS-UXHICEINSA-N 489.617 2.489 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCN2CCCC[C@@H]2CC)CC1 1749303689 NIOKZWXGZCTSFM-PMACEKPBSA-N 466.652 2.032 30 10 JEEE C=CCOc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCN(CC(F)F)CC2)cc1 1749686272 SGBJYIKYNABNBR-SFHVURJKSA-N 481.569 2.180 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)[C@@H](F)C1 1749689736 JICYTJDWBSBWRI-KPFFTGBYSA-N 479.578 2.018 30 10 JEEE COCCN(CCC#N)c1nnc([C@H]2COc3ccccc3O2)n1CC1([S@](C)=O)CCC1 1749829942 BMNSXZHPSATDDP-WHUARKNTSA-N 459.572 2.458 30 10 JEEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCC[C@](C)(C#N)C2)n1CC1(O)CCS(=O)(=O)CC1 1751276165 FXWHATZKNBSOED-JBYIUTFZSA-N 479.647 2.266 30 10 JEEE C#CCN(CC)c1nnc(-c2cc(OC)ccc2Br)n1CC1(O)CCS(=O)(=O)CC1 1760226604 IAOOLECMYDIOOY-UHFFFAOYSA-N 497.415 2.115 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1C[C@@H](C)N1CCN(c2ccccc2)CC1 1760249608 PAROBECFRCOCCX-DHIUTWEWSA-N 466.630 2.469 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(OC)nc2OC)CC1 1760255437 ALBCTDDAZQLFBA-UHFFFAOYSA-N 453.934 2.209 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(C)cc2OCCOCC)CC1 1760259118 GTJHDXTWAWEMGR-QFIPXVFZSA-N 453.587 2.309 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CCc2ccc(OC)c(OC)c2OC)CC1 1760259325 KOABECVFTFJXAC-FQEVSTJZSA-N 469.586 2.196 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N1CCC(C(=O)NCCOC)CC1 1760323161 BESXCHKXXRIEEU-GMAHTHKFSA-N 468.602 2.224 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cnn(CC(C)C)c1C 1760337090 NHLDNKXTEMLYEW-HXUWFJFHSA-N 479.651 2.223 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCNC(=O)C1)C(C)C 1760490326 UXSHYNSYTSYIGS-FQEVSTJZSA-N 476.585 2.229 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC(N2CCNC2=O)CC1 1760516038 IDPXHGLLLSMYJP-IBGZPJMESA-N 481.601 2.331 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)c(Br)c2)nnc1N1CC(=O)N(C)C[C@H]1C 1760551596 LITGDYDBPWHRKT-OAHLLOKOSA-N 496.431 2.284 30 10 JEEE CCN(C)C(=O)Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCO[C@@H](C#N)C1 1764680161 GFNABJBKRVLYLG-IBGZPJMESA-N 450.499 2.324 30 10 JEEE COCCN(CCC#N)c1nnc([C@H]2COc3ccccc3O2)n1C[C@H]1CCCCS1(=O)=O 1769845037 GGKOBGHTTYKCCR-YLJYHZDGSA-N 475.571 2.124 30 10 JEEE CC[C@@H](C)[C@H](NC(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2cccc(C#N)c2)cc1)C(=O)O 1858977735 RUYFNHBYKFIFJW-QRWLVFNGSA-N 486.550 2.018 30 10 JEEE CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccc(C(=O)O)cc1 1862608152 HVFNVHKNVBCJBY-FQEVSTJZSA-N 452.463 2.296 30 10 JEEE O=C(C1=C(O)C(=O)N(CCCO)[C@@H]1c1ccc2c(c1)OCCO2)c1ccc2c(c1)OCCO2 1862610293 HHVCSLRMFYKWEU-OAQYLSRUSA-N 453.447 2.190 30 10 JEEE CC[C@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)N1CCN(C/C=C/c2ccccc2)CC1 1869930236 VEPNWFPQVTTWFM-MAIVGLDJSA-N 452.580 2.361 30 10 JEEE C=CCN(CC=C)c1nc(NC(=O)CCC(=O)c2cccs2)n([C@@H]2CCS(=O)(=O)C2)n1 1870004823 MWJGDUZOPGIXQJ-OAHLLOKOSA-N 463.585 2.479 30 10 JEEE Cc1cc(CNC(=O)[C@@H]2SCC(=O)N(C(C)C)[C@@H]2c2ccc(C#N)cc2)nc(N(C)C)n1 1889366232 SLOCYLQHXRSGEA-NHCUHLMSSA-N 452.584 2.433 30 10 JEEE COc1nc(CNC(=O)[C@@H]2SCC(=O)N(C(C)C)[C@H]2c2ccc(C#N)cc2)nc(N2CCCC2)n1 1890258016 BLYSDGYBDCEBBR-LEWJYISDSA-N 495.609 2.062 30 10 JEEE C#CCN(C(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 2059477410 LTCKOINMYBNERJ-DFQSSKMNSA-N 464.584 2.134 30 10 JEEE CC(C)(C)OC(=O)N1CCSC[C@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2124533320 OITHYLOWVGUJPB-CQSZACIVSA-N 464.397 2.314 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](O)CN(C(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2255810074 HMOVBFLYLBLPCZ-ZIAGYGMSSA-N 452.382 2.147 30 10 JEEE C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1cscc1B1OC(C)(C)C(C)(C)O1 2256620297 GXGBSNAPVAJMKK-WWGRRREGSA-N 454.398 2.499 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NC[C@@H]2C[C@@H]3COC[C@@H]3N2C(=O)OC(C)(C)C)C1 2266482762 PEAXFUDMVYUZIA-KAXNOHOASA-N 463.575 2.434 30 10 JEEE CC(C)C[C@H](CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1)NC(=O)OC(C)(C)C 2267121074 SXQRDSYSVOUVDW-OAHLLOKOSA-N 450.389 2.389 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@](C)(CNC(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)C1 2267291728 UNCGMECPJZCASP-JOCHJYFZSA-N 450.341 2.335 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1CCCN1S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2267378253 NXCYWXMFEQLACC-MRXNPFEDSA-N 467.397 2.059 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2C(CNS(=O)(=O)c3cscc3B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2267469318 SYCALNYKCPUFDF-GJZGRUSLSA-N 484.449 2.439 30 10 JEEE C[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2267717079 XEZIOSVAOZLQPI-DGCLKSJQSA-N 482.355 2.267 30 10 JEEE Cc1[nH][nH]c(=NC(=O)OC(C)(C)C)c1C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2268671446 LJFPXTVZUYGURQ-UHFFFAOYSA-N 463.369 2.173 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](OCC(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C1 2268701601 RCMCEQQNBPXOTQ-AWEZNQCLSA-N 467.397 2.085 30 10 JEEE CC(C)(C)OC(=O)NCC1CN(CC(=O)NCc2sccc2B2OC(C)(C)C(C)(C)O2)C1 2268719507 FUIHKFWFARFKDC-UHFFFAOYSA-N 465.425 2.120 30 10 JEEE Cc1c(C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@H]3C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281991692 DOQAVKFVURTCAJ-PMACEKPBSA-N 450.392 2.374 30 10 JEEE 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)sn1 2282011740 MHLWPWVPPVJJFA-DXEWXGHRSA-N 479.408 2.243 30 10 JEEE CCn1cc(C(=O)N2C[C@@H]3C[C@H]3[C@@H]2CNC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2282035909 BHDOHBQYZOZZQQ-UXLLHSPISA-N 460.384 2.187 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)CC1(C)C 2282044479 URSLSLGOYRHXGG-MRXNPFEDSA-N 462.400 2.485 30 10 JEEE C[C@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)C[C@@H](C)CN1C(=O)OC(C)(C)C 2282044948 SQRYJKRTEKCPFF-CVEARBPZSA-N 462.400 2.437 30 10 JEEE Cn1nc(C(=O)NC[C@]23C[C@@H]2CN(C(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2282045090 YKQRFCUXIABDIP-DMZKTXOQSA-N 480.802 2.360 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@H](CNC(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2F)C1 2282397390 MREZVFFGXBCIKP-OAHLLOKOSA-N 464.343 2.491 30 10 JEEE CC1(C)OB(c2sccc2CS(=O)(=O)N2CCC(CNC(=O)C(F)(F)F)CC2)OC1(C)C 2282413552 GOFVMLBTZPRLNX-UHFFFAOYSA-N 496.382 2.268 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@]12CC[C@@H]1CN(C(=O)OC(C)(C)C)C2 2282483648 AVBSUTKNUOYJJM-CMJOXMDJSA-N 460.384 2.096 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H]2COC[C@@H](C1)N2C(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2282514351 BPRZUMBREQGCEM-LSDHHAIUSA-N 479.408 2.293 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H](NC(=O)C(F)(F)F)CC[C@H]2C)n1 2282552858 NDPZUHKUQXMCMM-KGLIPLIRSA-N 455.286 2.361 30 10 JEEE Cc1nn(C)c(C(=O)N2C[C@@H](C)[C@H](CNC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2282556482 IWBOZBCOJCSPDU-GDBMZVCRSA-N 462.400 2.261 30 10 JEEE Cn1cc(C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2282578467 RWUIPDCJPVJPGR-MRXNPFEDSA-N 462.400 2.485 30 10 JEEE Cc1c(C(=O)N2CCC(N(C)C(=O)OC(C)(C)C)CC2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282594493 GHORAAWMIPQXFP-UHFFFAOYSA-N 462.400 2.499 30 10 JEEE CC(C)(C)OC(=O)NC1(C(N)=O)CCN(C(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)CC1 2282669339 RWOAYARGTGTEQC-UHFFFAOYSA-N 479.408 2.032 30 10 JEEE C[C@H]1CN(Cc2ccccc2)C[C@@H](C)N(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)C1 2282700979 UMNVZSZWPGFMMH-ZWKOTPCHSA-N 453.396 2.097 30 10 JEEE Cc1nc(NC(=O)c2ncoc2CNC(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2283981491 MVABWYDGGAPSLN-UHFFFAOYSA-N 459.312 2.349 30 10 JEEE COc1ccc([C@@H]2C(=C(O)c3ccncc3)C(=O)C(=O)N2CCCN2CCOCC2)cc1OC 2296932608 CYXBAYSAXVEZMW-JOCHJYFZSA-N 467.522 2.243 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@H]1CN(CCO)C(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2362508223 LMVVXVZCEGWSFB-HNNXBMFYSA-N 481.424 2.276 30 10 JEEE COc1ccc(CCN2C[C@H](C(=O)Nc3c(C#N)cnn3-c3ccccn3)CC2=O)cc1OC 170525970 FAUOREIEJTWJNX-QGZVFWFLSA-N 460.494 2.186 30 10 JEEE NC(=NO)c1ccc(-n2cnc(I)c2I)cc1 310258552 BSSJJDPHONANKX-UHFFFAOYSA-N 454.009 2.176 30 10 JEEE C=CCN(CC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)Cc1cccc([N+](=O)[O-])c1 519872749 KXQZLQRNLAJQIL-UHFFFAOYSA-N 476.530 2.255 30 10 JEEE CN(Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1)S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 704308997 GMXLCOBZHRTBDH-UHFFFAOYSA-N 498.410 2.434 30 10 JEEE C#CCOCCN(C)C(=O)[C@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 757491552 PXORKVKDTDHYHK-QFIPXVFZSA-N 450.491 2.477 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC(n3c(O)nc4cccnc43)CC2)ccc1F 1177702616 LQKXILNNEVJAII-UHFFFAOYSA-N 459.503 2.218 30 10 JEEE C#Cc1cccc(NC(=O)NC(=O)CN2C[C@H](C)O[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)c1 1197468937 QUIBBAJWRMXWHD-XDHUDOTRSA-N 456.543 2.416 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc(C)o3)n2C[C@H]2CCN(S(C)(=O)=O)C2)c1 1286310033 WEQUHTVSGJDGGE-IBGZPJMESA-N 496.593 2.184 30 10 JEEE C#CCCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCCN(CC)C(=O)C1 1286319227 XUHHFNMCLZNAPB-UHFFFAOYSA-N 471.631 2.409 30 10 JEEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1286353531 YGABRSXCKONPDP-ZCNNSNEGSA-N 475.590 2.384 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1cc(COC(C)(C)C)on1)[C@H]1CCS(=O)(=O)C1 1286387528 SBUKFZBGXWFVPO-KRWDZBQOSA-N 472.571 2.251 30 10 JEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCNC(=O)c1ccccc1F 1286412702 CIUYAUPQGMLAHI-UHFFFAOYSA-N 486.555 2.094 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CCc2nccc(C(F)(F)F)n2)CC1 1286490502 WWWNRRIIZYKKJE-UHFFFAOYSA-N 484.486 2.357 30 10 JEEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1286500968 IOSACUHLYFSLMB-QZTJIDSGSA-N 451.604 2.206 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1286554370 UJNRUDVIPVVFMU-UTKZUKDTSA-N 491.614 2.025 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2N(C)CCCC2(C)C)CC1 1286662805 ACNHDDUBITZGNO-UXHICEINSA-N 480.679 2.134 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1286779119 FDDVETONDJBENL-ZBFHGGJFSA-N 462.396 2.021 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 1286789594 VDFCRBCOLKDSAU-UHFFFAOYSA-N 468.493 2.256 30 10 JEEE C=CCOc1ccc(Cn2c(Cc3ccccn3)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)cc1 1286797697 ZGNRABVQKQENQG-IBGZPJMESA-N 482.610 2.347 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1286815744 ADJOFTNZPUSGGN-ZCNNSNEGSA-N 487.626 2.351 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCC2(CCN(C)C2=O)CC1 1286822088 YWFOVMIVGBHFSI-UHFFFAOYSA-N 471.627 2.227 30 10 JEEE CC(C)(C)S(=O)(=O)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@H](C#N)C1 1287081692 BPANCVYCPKWYFL-MRXNPFEDSA-N 469.514 2.489 30 10 JEEE C[C@](O)(Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1)c1ccco1 1288895754 FMIFVCGYKBGUCZ-JPYJTQIMSA-N 484.582 2.083 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCOC[C@@H]1CCOC1 1300298689 GMJNKQDQEYWGDS-ROUUACIJSA-N 460.604 2.139 30 10 JEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(=O)c2ccccc2F)CC1 1300410583 PDNJBQFXVFCVDV-GOSISDBHSA-N 473.574 2.085 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H](c1ccc(C)cc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1300496706 UHCDXCMRQSWICG-DNVJHFABSA-N 485.654 2.410 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1C[C@@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1300664778 FSVVSTOTUWIUMH-CGXNFDGLSA-N 489.617 2.283 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CC(C)(C)NC(=O)OC(C)(C)C)CC1 1300719546 GIXYRGXCQFPJOP-UHFFFAOYSA-N 482.589 2.004 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCc2ccc(N(C)C)cc2)CC1 1300729230 RIYFXITXVJBNTC-UHFFFAOYSA-N 488.640 2.414 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2ccccc2)C[C@H]1C 1300764514 XJAIJZCIFDWBBA-TZIWHRDSSA-N 473.668 2.257 30 10 JEEE C=C(Cl)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1301056562 DXJCUQOFNREJMZ-KRWDZBQOSA-N 464.979 2.247 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)CC1CC(F)C1 1301497435 WQZGNBJUGASKDD-UHFFFAOYSA-N 453.522 2.161 30 10 JEEE C=CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1301611329 BISHGYXATCPYNL-SFHVURJKSA-N 482.632 2.079 30 10 JEEE CC(C)OC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCC(O)CC2)CCO1 1303530353 CFPCYBABKVHXJS-QHCPKHFHSA-N 468.602 2.294 30 10 JEEE CC[C@@H]1CCCCN1CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)COC)CC1 1306322293 GWCMOSVAANKYMJ-JOCHJYFZSA-N 495.628 2.288 30 10 JEEE CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)c2ncc(C)s2)CCO1 1315015516 IEOFXYBXCDDOAA-KXBFYZLASA-N 481.582 2.249 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCCO3)n2C[C@@]2(C)COCCO2)c1 1358902628 UQXUDYCZJWZATR-YKSBVNFPSA-N 453.543 2.381 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccccc1C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1358955419 LPGMJCYDYVSGOA-MRXNPFEDSA-N 483.516 2.110 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1Cc1cc(C)no1)[C@@H]1CCS(=O)(=O)C1 1358966430 OVONJGBXNOGSTL-GOSISDBHSA-N 455.540 2.137 30 10 JEEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1CCc1cccnc1)[C@@H]1CCS(=O)(=O)C1 1358967110 DNZQWORRLDAOSS-HXUWFJFHSA-N 481.578 2.130 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@H](C)CN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1358968069 YRXITMVSXYFGGB-TZIWHRDSSA-N 489.617 2.355 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCN1C1CCCCC1 1358984936 KXXXGYQNVUOQEK-CTNGQTDRSA-N 460.648 2.148 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCC(=O)N(C)C 1358991673 KUNVDKQYBXYTQY-UHFFFAOYSA-N 459.554 2.006 30 10 JEEE C#CCN(CC#CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCn1cc(C)cn1 1358996563 JGLHJLKTAJEHQQ-UHFFFAOYSA-N 470.625 2.311 30 10 JEEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OCC(F)(F)F)cc1 1359000354 SGHUQYGLPLXCBU-AWEZNQCLSA-N 459.494 2.337 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2C[C@H](C)O[C@@H](C)C2)CC1 1359041638 DBSIYHMYKQACHN-SFTDATJTSA-N 489.624 2.282 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCCCC2)CC1 1359091854 UAQQCIIHUCSQIC-SBHAEUEKSA-N 480.679 2.324 30 10 JEEE C=C(Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1)c1ccccc1 1359139518 WBHIXQVKTWIHAH-HKUYNNGSSA-N 459.572 2.171 30 10 JEEE C=CCN(C)c1nnc(COc2ccc(Br)cc2)n1CCS(=O)(=O)N(C)C 1359243965 KSLGGQJHOCNFGL-UHFFFAOYSA-N 458.382 2.133 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC(OCc2ccccc2F)CC1 1359291299 LHRGZXRNXLWMSS-UHFFFAOYSA-N 458.538 2.043 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1359304453 YIWIKJMOMOVHOU-UHFFFAOYSA-N 476.459 2.379 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1359332743 GGENDPLOCBSODE-UHFFFAOYSA-N 460.579 2.415 30 10 JEEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(Cc2cc(C)on2)CC1 1359335990 AOOFSJAVTWQFIM-UHFFFAOYSA-N 468.587 2.463 30 10 JEEE CCN(C)C(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCO[C@@H](C#N)C1 1501397390 GZYMELKNEBYTLO-ZDUSSCGKSA-N 451.300 2.054 30 10 JEEE CCOC1CC(CCn2c(-c3cccc(C#N)c3)nnc2N2CCN(C(=O)COC)CC2)C1 1502932780 BXOOYIWZRYUNRV-UHFFFAOYSA-N 452.559 2.317 30 10 JEEE COCCN1C[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(CCCO)CC2)CC1=O 1504901402 FTKLHFJIYPHXNQ-OAQYLSRUSA-N 466.586 2.301 30 10 JEEE N#Cc1cccc(-c2nnc(N3CCN(CC(F)(F)F)CC3)n2CC2(O)CCOCC2)c1 1505316274 AXSSFHVPSNMVHM-UHFFFAOYSA-N 450.465 2.043 30 10 JEEE C#CCCCCn1c(Cc2csc(C)n2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1507565327 BYHXKQHHEVCXDO-LJQANCHMSA-N 455.588 2.204 30 10 JEEE C#CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1507592508 SFFKZIDJMZYXHI-ROUUACIJSA-N 465.620 2.429 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H](c1cccnc1)C(C)C)[C@H]1CCS(=O)(=O)C1 1507632461 LPMDESSTIPBVFI-QHAWAJNXSA-N 457.600 2.244 30 10 JEEE C#CCN(c1nnc(CSc2ccc(C)cc2)n1C[C@@H](F)COC)[C@H]1CCS(=O)(=O)C1 1507638513 RSRSNBBWGPDTQD-MSOLQXFVSA-N 466.604 2.490 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2csc(COC)n2)CC1 1507717714 GLWUWXFQZBIDJZ-UHFFFAOYSA-N 476.404 2.442 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@H](C)Oc2cccc(OC)c2)CC1 1507738633 STHRSIMHIKZTDT-SFHVURJKSA-N 475.553 2.177 30 10 JEEE C=C(Cl)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN([C@H](C)C(=O)NCCCOC)CC1 1507859872 GHHXNRFMXMAPCX-GOSISDBHSA-N 471.993 2.232 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N(C)C(=O)OCC)CC1 1508076966 JFFWLMXZBBSKOR-UHFFFAOYSA-N 451.531 2.176 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCC(S(=O)(=O)CC)CC1 1508082048 REGHMORIQIRKAP-UHFFFAOYSA-N 451.980 2.304 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1508097910 MGYNKOWTLUYMES-DBXWQHBBSA-N 458.607 2.090 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1508103221 APQIBTTWOVZTFN-FQEVSTJZSA-N 466.586 2.480 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CCCn1ccnn1 1513395379 FABZPTOEHNKNIB-UHFFFAOYSA-N 494.579 2.216 30 10 JEEE CCNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)CCCO2)CC1 1516015387 GACJCAVDFZKWFX-QHCPKHFHSA-N 453.547 2.149 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)NC[C@H](C)c2ccc(S(C)(=O)=O)cc2)ccc1F 1532370581 VSHJIHKFUUKMMK-AWEZNQCLSA-N 454.545 2.227 30 10 JEEE C#CCN(c1nnc(COCC)n1C[C@@H]1SCCc2ccccc21)[C@@H]1CCS(=O)(=O)C1 1539230200 CYESURDRHUCGPQ-QUCCMNQESA-N 460.625 2.472 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCC(=O)N(C)C 1539338731 ZNIOFCIPRUFKIX-KDURUIRLSA-N 456.591 2.380 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H]1CCCCS1(=O)=O 1539405675 IAZCWKQDWYTGCK-GOSISDBHSA-N 462.572 2.016 30 10 JEEE C#CCN1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(C(=O)N(CC)CC)cc2)CC1 1539445689 CHUFXZJMYYWMDC-UHFFFAOYSA-N 458.570 2.021 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1540897096 AFCMPBDFZYFDMM-AOMKIAJQSA-N 493.561 2.189 30 10 JEEE CN(CCN1CCOCC1)c1nnc(COc2ccc(C#N)cc2)n1CCC1CCOCC1 1554302307 CTAXFEZPDKRKAR-UHFFFAOYSA-N 454.575 2.314 30 10 JEEE COC[C@@H](Cn1c(CC2CCCC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C)OC 1555257886 IBGFNFHJNNZVJL-PKOBYXMFSA-N 454.579 2.049 30 10 JEEE C#CCN(c1nnc(-c2ccccc2F)n1CCc1nnc(C)s1)[C@H]1CCS(=O)(=O)C1 1588045650 NWGUQGBJMJVTFE-HNNXBMFYSA-N 460.560 2.114 30 10 JEEE C=C(Cl)C[C@@H](NC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1)C(=O)OCC 1588122031 KYUXWEDCOXUWJO-RVKKMQEKSA-N 458.964 2.289 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cscc1C(F)(F)F 1588181434 UEQSSJXKAZUEGX-ZDUSSCGKSA-N 459.519 2.480 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cccn(CC)c1=O 1588233135 BIGZWZHQVBDHAO-NRFANRHFSA-N 494.596 2.279 30 10 JEEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2CC(C)(C)N2CCOCC2)CC1 1588864589 GYTFYDAUGJPNQT-UHFFFAOYSA-N 466.630 2.340 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cc(C)cc(OC)c2)CC1 1588884734 LWEFBJGDKKDBJC-UHFFFAOYSA-N 487.564 2.257 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2cccc(C)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1589569282 OLKRPWROFGACKK-CBQOVEMMSA-N 455.559 2.098 30 10 JEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2ccc3c(c2)OCCO3)CC1 1594194449 VZRQUJZAHASOBH-INIZCTEOSA-N 461.588 2.305 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1594498343 SXSMGSUGWXYDEF-SFHVURJKSA-N 466.652 2.366 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1595772997 LTAXQKJDAFSZBY-MRXNPFEDSA-N 481.022 2.287 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1595785206 UNIBVLKPKSVODL-UHFFFAOYSA-N 451.556 2.320 30 10 JEEE CCc1nn(C)c(OC)c1Cn1c(-c2ccc(C#N)cc2)nnc1N(CCS(C)(=O)=O)C1CC1 1613897328 ADUAVIDXKMKISU-UHFFFAOYSA-N 483.598 2.183 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(Cc3nc(C(C)C)n[nH]3)CC2)s1 1639657071 OQGJYODGZUNXAN-UHFFFAOYSA-N 451.618 2.478 30 10 JEEE N#Cc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3nc4ccc(F)cc4s3)CC2)cc1 1642226133 BELFEJQNLUEYBJ-UHFFFAOYSA-N 459.528 2.252 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(CN2CCC(O)CC2)cc1 1649538960 ISEJYCKFEKHNNS-FQRUVTKNSA-N 467.614 2.393 30 10 JEEE CC(C)[C@H](C#N)N1CCN(C(=O)CN(C)C[C@H](O)COc2ccccc2C(F)(F)F)CC1 1653363290 ASAPDCPLVCFXAW-HKUYNNGSSA-N 456.509 2.069 30 10 JEEE N#C[C@H]1CN(S(=O)(=O)C2CN(C(=O)OCc3ccccc3)C2)CCN1Cc1ccccc1 1661508526 DCKYMPLCLDUESO-NRFANRHFSA-N 454.552 2.047 30 10 JEEE C#CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1689915106 PXPPBKYGYDDEBK-DLBZAZTESA-N 480.660 2.218 30 10 JEEE C#CCCCn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1689938307 HLFRZMNMAHCRHY-SFHVURJKSA-N 451.980 2.442 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1ccc(C(C)(C)O)cc1)[C@H]1CCS(=O)(=O)C1 1689989365 DXTLNZAXMAHWPC-LEWJYISDSA-N 472.611 2.422 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCc1nc(C(F)(F)F)cs1 1690092447 IVJQPKKEEGPZDR-UHFFFAOYSA-N 456.494 2.318 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2Cc2nc3cccc(Cl)c3n2C)CC1 1690112406 XISBYJOKRXFFJH-KRWDZBQOSA-N 471.993 2.346 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)c2ccsc2)CC1 1690155935 QBLKMLCBLKJWSQ-UHFFFAOYSA-N 481.607 2.316 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc[nH]2)n1CC1(O)CCS(=O)(=O)CC1 1690559259 BTAYMFYZMVAJCY-UHFFFAOYSA-N 466.567 2.277 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2nc(C3CC3)cs2)C1 1690686704 SCVXGIMHUPFDEP-HIFRSBDPSA-N 452.606 2.052 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccn3)n2CC2(NC(=O)OC(C)(C)C)COC2)C1 1690707388 VHNALGFKQISXEH-IBGZPJMESA-N 470.574 2.339 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1690711847 JNKSYTRTHWWZAS-FPOVZHCZSA-N 475.615 2.228 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@H](C(=O)OC)C1 1690717463 GYKVNJSHOOOOIK-HNNXBMFYSA-N 483.388 2.308 30 10 JEEE CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(c2nc(C)ns2)CC1 1695496975 IDXATQDSLDNEGK-UHFFFAOYSA-N 465.587 2.172 30 10 JEEE CS(=O)(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC(F)(F)C2)CC1 1698311731 FZCJSYWTSZWIBT-INIZCTEOSA-N 450.515 2.334 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CC(O)(CC)CC)[C@@H]1CCS(=O)(=O)C1 1705559974 COYBPGHAPQFRSN-OAHLLOKOSA-N 484.420 2.214 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H](OC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1705560178 FCNTZPCTGBEKPR-RTBURBONSA-N 461.544 2.151 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CC1(N(C)C)CCCC1)[C@@H]1CCS(=O)(=O)C1 1705567888 BSDTZLYIMYLUGI-OAQYLSRUSA-N 496.637 2.230 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)COCc1ccccc1 1705598538 LILMISIEEXKCFE-IFMALSPDSA-N 454.596 2.496 30 10 JEEE C#CCN(CCOC)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@@]1(O)CCS(=O)(=O)C1 1705622365 GPBWGJWJAACXHE-NRFANRHFSA-N 495.026 2.449 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2Cc2cccnc2OCC(F)F)CC1 1705649279 RPUOSNFVAHGFPB-UHFFFAOYSA-N 469.496 2.326 30 10 JEEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1705665289 PTMPDVIDVVEZHA-VAMGGRTRSA-N 475.659 2.391 30 10 JEEE C=C(Cl)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1705752015 FUFAMOARDZDOTE-UHFFFAOYSA-N 454.966 2.094 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(C)cc(C)cc1C 1705884215 JEDWQADTSJJWKL-OAQYLSRUSA-N 477.631 2.223 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ccc(C)cc2C)C1 1705924484 DDJCBFBJRKUFAO-YADHBBJMSA-N 489.642 2.252 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCCO[C@H](C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1722360193 DWSNRNCGYIZAQP-KNQAVFIVSA-N 482.610 2.473 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@]1(O)CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1722364021 WGHZANTUXLCJLL-HFJQGTKSSA-N 458.584 2.132 30 10 JEEE C#CCN(c1nnc([C@H]2COc3ccccc3O2)n1CC(C)(C)COC)[C@@H]1CCS(=O)(=O)C1 1722365088 COKNKXLDGJCLDB-YLJYHZDGSA-N 474.583 2.090 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OC)cc1C(F)(F)F 1722390996 VZCGIVZMISTTDH-HNNXBMFYSA-N 483.516 2.427 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCCN(C)Cc2ccccc2)CC1 1722447964 RUIAODRNXWWGTH-HSZRJFAPSA-N 464.614 2.270 30 10 JEEE C#CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(C(=O)C(C)C)CC1 1722457905 RTLZXXVYWXFAJY-UHFFFAOYSA-N 493.637 2.346 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN([C@@H](C)c2nc(CC)no2)CC1 1722492834 DQCIQNNKYLYJIM-BJLQDIEVSA-N 486.621 2.226 30 10 JEEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1722536319 DGJMKJAGHVRPLZ-QFIPXVFZSA-N 489.642 2.417 30 10 JEEE CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCOC1 1729189230 ALSOQQYZFGFSBH-MJGOQNOKSA-N 461.588 2.415 30 10 JEEE CN(CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1)CC(F)(F)F 1729530341 FITADBQDPQTRJK-SFHVURJKSA-N 476.507 2.351 30 10 JEEE COCC1(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N(C)C[C@@H](C)C#N)CCOCC1 1730510843 ACQQEOLAXFMHLH-KRWDZBQOSA-N 461.588 2.388 30 10 JEEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCC[C@@H]2C)C[C@H]1C 1730798884 HDUQBXOLMZZEMY-WZOHSFFVSA-N 468.602 2.437 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1740541510 ATXACQDEYSOEED-MSOLQXFVSA-N 475.615 2.480 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCn1cc(CO)nn1 1740554912 XOHXLQXYHHENNH-MSOLQXFVSA-N 472.594 2.025 30 10 JEEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1C[C@@H](C1CC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1740628901 WEIJTXJTOKIVLM-VXKWHMMOSA-N 485.654 2.441 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(=O)NC1CCCCC1 1740647770 UHQCVMGXNGHIES-UHFFFAOYSA-N 496.637 2.107 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(F)cc2F)n1 1740688860 KTCZQHASCXJZHU-FQEVSTJZSA-N 469.496 2.038 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2N(C)CCCC2(C)C)CC1 1740693428 YAFOUPSTOATYPU-OFVILXPXSA-N 458.651 2.194 30 10 JEEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1740720629 GFAVQDJIXPUQPF-HXUWFJFHSA-N 453.616 2.213 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CC(C)(C)CN1CCOCC1 1740756997 MKPWDRYCEFKOMD-SBHAEUEKSA-N 460.623 2.005 30 10 JEEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 1740873601 CNMMZACYACDCFP-IBGZPJMESA-N 458.588 2.096 30 10 JEEE C=CCN(c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC(=O)NCC(F)F)C1CC1 1740909253 DKYUMGPTFYPMPH-UHFFFAOYSA-N 457.485 2.211 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCCN(Cc2nc([C@H](C)OC)no2)CC1 1740955620 AFNVABROTZREGC-SFHVURJKSA-N 480.573 2.050 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)c2ccccc2)CC1 1740985421 HSOXDQAXXQKDJD-UHFFFAOYSA-N 473.599 2.116 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 1740990157 KGLMEEBPWZBVLW-UHFFFAOYSA-N 491.618 2.172 30 10 JEEE Cc1cc(C)cc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCS(=O)(=O)C(C)(C)C)c1 1742112050 COUYRTDHHVAZCE-LJQANCHMSA-N 461.588 2.416 30 10 JEEE Cc1nn(C)c(N2CCN(c3nnc([C@H]4CCOC4)n3C[C@](C)(O)CCC(C)C)CC2)c1C#N 1742668991 HMCXGIVFIMKHKE-YADARESESA-N 470.622 2.209 30 10 JEEE CCC[C@@H](C)C(=O)NCCn1c(-c2ccccn2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1745196038 BFMUXKASHCEBST-GOSISDBHSA-N 490.616 2.133 30 10 JEEE CNS(=O)(=O)CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(C#N)CC1 1748290814 GKVWJWKTMCKWAT-CQSZACIVSA-N 452.968 2.361 30 10 JEEE COC1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C(C)C)N2CCOCC2)C1 1748486854 GJYUEWIGVJVCHA-OAQYLSRUSA-N 454.575 2.311 30 10 JEEE C#CCN(c1nnc(Cn2ccc3ccccc32)n1C[C@@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1748822171 ZHKIKIUBFDKJGQ-XXBNENTESA-N 455.584 2.069 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)[C@@H](C)[C@@H](C)O2 1748864542 YVWSLTQSMYZUSZ-OKZBNKHCSA-N 455.584 2.284 30 10 JEEE C#CCN1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CCC(C)(F)F)CC1 1748987288 RXOCUHWRLOYQAT-UHFFFAOYSA-N 451.547 2.039 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1749115596 TYBVPSYDMRQPRK-PXNSSMCTSA-N 480.569 2.130 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2nnc(O)c3ccccc23)nnc1N(CC)CCS(C)(=O)=O 1749128100 RWJLAKUQROZNAE-UZLBHIALSA-N 486.598 2.446 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1749135879 JCHFCTDMGZXJKO-YWQGAKJTSA-N 481.553 2.070 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(NC(C)=O)nc1 1749591552 UTODLFFLNMSXKF-LJQANCHMSA-N 484.582 2.410 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1749653170 XHDIHEQDQSGFAI-FQEVSTJZSA-N 479.379 2.112 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)cc2Cl)n1CCS(=O)(=O)NC 1760103731 LBNIVFRZCHIASW-LLVKDONJSA-N 460.785 2.368 30 10 JEEE C#CCCCn1c(COc2ccc(F)cc2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1760158104 DMHUAMZOHIUUFD-WMZHIEFXSA-N 468.577 2.398 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC1(N(C)C)CCC1)[C@@H]1CCS(=O)(=O)C1 1760183264 PRTVMMCKWFMJPH-OAQYLSRUSA-N 498.653 2.258 30 10 JEEE C#CCN(c1nnc([C@H]2COc3ccccc3O2)n1CCOCCCC)[C@@H]1CCS(=O)(=O)C1 1760187861 YLEFIDNSIVYBEO-WIYYLYMNSA-N 474.583 2.234 30 10 JEEE C#CCN(c1nnc(COc2ccccc2OCC)n1C[C@H]1OCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1760192667 LXMDKEUCGNTILL-XQBPLPMBSA-N 488.610 2.308 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@]1(O)CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1760193420 ZJGXJUQAOQDJOC-IEGUWTFLSA-N 476.574 2.174 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1760209826 IDDGPJBEOZJZEL-RTBURBONSA-N 473.574 2.302 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(C)o3)n2Cc2cccc(CS(C)(=O)=O)c2)CC1 1760255081 BGTNKTZEVOHMIM-UHFFFAOYSA-N 453.568 2.195 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](OC)[C@H](C)CC)CC1 1760270880 DNXQQYYCEWIBFC-UTKZUKDTSA-N 455.607 2.167 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 1760313789 QHOYEMMYIJWNEE-DENIHFKCSA-N 484.576 2.385 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N(C)CC(=O)N1CCOCC1 1760325123 OEVOHZRWHRJRKW-BWKNWUBXSA-N 483.613 2.348 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)C[C@@H](O)c1ccc(C)cc1 1760346376 VREFUXXEJFNVOZ-WOJBJXKFSA-N 463.604 2.055 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](c2cccc(F)c2)N(C)C)CC1 1760389522 MJEGLLPRJOPHNC-NHCUHLMSSA-N 492.621 2.209 30 10 JEEE C=C1CCN(c2nnc(CCN3CCN(c4ccccc4)CC3)n2CCCS(C)(=O)=O)CC1 1760391605 JMSWPMUVLXOKBQ-UHFFFAOYSA-N 472.659 2.234 30 10 JEEE C=CC1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@]2(O)CCOC2)CC1 1760402597 OARXMYWTTWPCRH-WZONZLPQSA-N 463.579 2.140 30 10 JEEE C=CCNC(=O)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CC(C)(C)OC(C)(C)C1 1760527088 MMIXZYPMYYGXRN-UHFFFAOYSA-N 495.672 2.339 30 10 JEEE CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1CC1(N(C)C)CCOCC1 1766647055 GIVAIVOUYKARNY-GOSISDBHSA-N 474.631 2.187 30 10 JEEE CN1C(=O)Cc2cc(S(=O)(=O)Nc3ccc(NS(=O)(=O)c4ccccc4C#N)cn3)ccc21 1858293084 FQSGCDJOLTZRCP-UHFFFAOYSA-N 483.531 2.074 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)[C@H](C)N3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)cc21 1858630760 BKEHLEYKDAAHHE-KRWDZBQOSA-N 487.553 2.315 30 10 JEEE CC(C)[C@@H](C(=O)Nc1c(C#N)nnn1Cc1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O 1870107774 XXZFEDOBLXUOTL-IBGZPJMESA-N 473.449 2.366 30 10 JEEE C=CCn1cc(OCC(=O)Nc2cc(OC)ccc2OC)c(=O)cc1CN1CCN(CC)CC1 1870736600 JKPSZHCVAYIMOH-UHFFFAOYSA-N 470.570 2.207 30 10 JEEE C=CCn1c(C(=O)NCCCCc2ccccc2)cc2c(N3CCN(CCO)CC3)ncnc21 1873593869 JOVPQJLXOTXBPS-UHFFFAOYSA-N 462.598 2.484 30 10 JEEE COC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1cc(OC)c(OC)cc1OC 1874335948 AXLFXGVWSWGUPG-MQEPLNOPSA-N 491.570 2.176 30 10 JEEE CCN(CC)CC#CCNC(=O)C[C@@H]1CSc2nc3c(cnn3-c3ccccc3)c(=O)n21 1889752819 IDEZHKCLOACXRP-GOSISDBHSA-N 450.568 2.081 30 10 JEEE N#Cc1ncccc1OCC1CN(C(=O)C[C@@H]2CSc3nc4c(cnn4-c4ccccc4)c(=O)n32)C1 1891746087 FTQOUDBXLSSVID-GOSISDBHSA-N 499.556 2.423 30 10 JEEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@]1(C(=O)O)CCCN(C(=O)OC(C)(C)C)C1 2059911613 ZQCFZCONUWBFJE-IVZQSRNASA-N 453.536 2.264 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1COC[C@@H]1NC(=O)c1ccsc1B1OC(C)(C)C(C)(C)O1 2255797269 DGZJPQWYMKVLKA-ZFWWWQNUSA-N 452.382 2.317 30 10 JEEE Cc1nn(C)c(C(=O)N[C@@H]2CC[C@H]2NC(=O)OCc2ccccc2)c1B1OC(C)(C)C(C)(C)O1 2255827716 LSPINTUERZFNTG-QZTJIDSGSA-N 468.363 2.215 30 10 JEEE C[C@H]1C[C@H](NC(=O)C(F)(F)F)CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2267410094 DYLQTTVWMPODLS-RYUDHWBXSA-N 482.355 2.125 30 10 JEEE Cc1nc(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)c(B2OC(C)(C)C(C)(C)O2)s1 2267477806 PXUUITKSUNUJNW-GOSISDBHSA-N 457.405 2.382 30 10 JEEE CN(CC(C)(C)CNC(=O)OC(C)(C)C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2267496268 XANHHWSXEZBLCX-UHFFFAOYSA-N 450.389 2.342 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H]1NS(=O)(=O)c1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2267702519 HYDVJHQEMHBATH-XJKSGUPXSA-N 470.372 2.316 30 10 JEEE Cn1nc(C(=O)NC[C@H]2CC[C@H]2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2271960216 MTTYHMQYEIOIRK-CHWSQXEVSA-N 468.791 2.406 30 10 JEEE Cc1c(C(=O)N[C@@H]2CCOC[C@@H]2OCc2ccccc2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281798789 MOXOANKTDSXHRQ-MOPGFXCFSA-N 455.364 2.132 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(C(=O)NC2(C(=O)O)CN(C(=O)OC(C)(C)C)C2)c1 2282112845 IYCVMGMHVFLZJF-UHFFFAOYSA-N 460.336 2.098 30 10 JEEE CC(C)(C)OC(=O)N(CCO)C1CCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)CC1 2282196816 FTWAEEYULYFLRZ-UHFFFAOYSA-N 464.368 2.413 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)[C@H](CO)CC1 2282198422 AZFZGMNPUFCFOD-HOTGVXAUSA-N 464.368 2.317 30 10 JEEE CC(C)(C)OC(=O)NC1CC(CCNS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282349043 TXGMNKPZYCGKQI-UHFFFAOYSA-N 481.424 2.353 30 10 JEEE CN(C[C@H]1CCCN1S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)OC(C)(C)C 2282351029 VOYKDJJUFJUONL-QGZVFWFLSA-N 481.424 2.401 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@H]1C[C@H]1NC(=O)OC(C)(C)C 2282494357 YQBFSVGYHYKPSB-GDBMZVCRSA-N 482.408 2.186 30 10 JEEE COc1ccc(S(=O)(=O)NC/C=C/CNC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2282504779 UHNURUHCHDRKCQ-MDZDMXLPSA-N 482.408 2.354 30 10 JEEE Cc1nc(C(=O)N(C)C[C@@H]2COCCN2C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2282512037 FVVAXQCBPQEOJO-OAHLLOKOSA-N 481.424 2.459 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCc1ccnc(NC(=O)OC(C)(C)C)c1 2282514706 HLSZEQWNROGWBT-UHFFFAOYSA-N 457.340 2.391 30 10 JEEE Cc1c(C(=O)N2CCCN(C(=O)OC(C)(C)C)C[C@@H]2C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282548421 XWIWPGVVWJUDKN-HNNXBMFYSA-N 462.400 2.499 30 10 JEEE Cn1cc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC(C)(C)C2)nc1B1OC(C)(C)C(C)(C)O1 2282554158 ZEPKAYZABSVBNM-OAHLLOKOSA-N 462.400 2.485 30 10 JEEE Cc1c(C(=O)NC[C@@H]2N(C(=O)OC(C)(C)C)CC2(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282554997 MDWJUPJFMZTQFM-HNNXBMFYSA-N 462.400 2.403 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1C[C@H]2C[C@H]1CN2C(=O)OC(C)(C)C 2282588790 XBPIUYUJQBNXLT-ARFHVFGLSA-N 460.384 2.155 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1COCCN1C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282608936 BDHQKGQVOSVFHH-OAHLLOKOSA-N 481.786 2.400 30 10 JEEE CCO[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2282645697 KIIQHQZMBRUSJH-SJLPKXTDSA-N 463.384 2.458 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](NC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)CCO1 2282665150 MDZPMXBMORPGFN-HOTGVXAUSA-N 461.368 2.183 30 10 JEEE CC[C@@](C)(CNS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)N(C)Cc1ccccc1 2282830015 NXXOWIHGVYEFBX-QHCPKHFHSA-N 476.452 2.298 30 10 JEEE CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282855294 BVOHYHMRCYTOAE-QHCPKHFHSA-N 492.472 2.305 30 10 JEEE COC[C@]1(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)s2)CN(C(=O)OC(C)(C)C)CCO1 2283954923 IJGVDENEGKTBIF-NRFANRHFSA-N 483.396 2.033 30 10 JEEE CC1(C)OB(c2ccc(CS(=O)(=O)N[C@@H](COCc3ccccc3)C(=O)O)cc2)OC1(C)C 2284404236 XCJAQSCGJLUEPM-FQEVSTJZSA-N 475.372 2.075 30 10 JEEE CC(=NNc1nc2c(c(=O)n(C)c(=O)n2C)n1C[C@@H](O)COc1cccc(C)c1)c1ccccc1 2327754192 XHRSPKYFHGZLPS-LJQANCHMSA-N 476.537 2.018 30 10 JEEE C#CCOC(=O)NS(=O)(=O)c1ccc(CCNC(=O)C=Cc2ccc([N+](=O)[O-])s2)cc1 2331019750 URVHTKZMTLNLMT-UHFFFAOYSA-N 463.493 2.077 30 10 JEEE CN(CCCCCNC(=O)OC(C)(C)C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2337183780 MTQOBOXPNRABBH-UHFFFAOYSA-N 450.389 2.486 30 10 JEEE CC(C)(C)OC(=O)NC1(C(=O)Nc2cc(F)c(B3OC(C)(C)C(C)(C)O3)c(F)c2)COC1 2341177685 OCJFNRYOEATHIE-UHFFFAOYSA-N 454.279 2.496 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@](F)(CNC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C1 2362495721 AHBAWNAWIPZXDF-NRFANRHFSA-N 485.387 2.148 30 10 JEEE CS(=O)(=O)C1(C#C[C@@H](NN)c2cc(I)ccc2Br)CC1 2367844698 NKZQHLLWOMUZME-GFCCVEGCSA-N 469.142 2.139 30 10 JEEE NC(=O)CSc1nnc(NC(=O)CSc2n[nH]c(N/N=C/c3ccccc3Cl)n2)s1 20833458 XKJQGPBSVVJFLJ-BLLMUTORSA-N 483.992 2.064 30 10 JEEE COc1cc(/C=N/Nc2nnc(SCC(=O)N[C@@H](C)c3ccccc3)n2N)cc([N+](=O)[O-])c1O 21326983 MEBTUJQANMCATQ-PGCIDKTFSA-N 486.514 2.030 30 10 JEEE COc1ccc([C@H]2/C(=C(/O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN(C)C)c(OC)c1 102492541 GUHJFBIPZBKNSR-VFJWVMJUSA-N 468.506 2.458 30 10 JEEE CCCCCCCCCO[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1NC(C)=O 106384620 NNNCCZODQRUEHT-ISBRNDMJSA-N 473.563 2.410 30 10 JEEE CCOC(=O)C1=C(N)n2c(sc(=Cc3ccccc3F)c2=O)=C(C#N)[C@H]1c1ccccc1F 254840811 HZBOFAZNFHDGCR-LJQANCHMSA-N 465.481 2.179 30 10 JEEE C=CCN(CC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1)Cc1cccc([N+](=O)[O-])c1 521088292 AZVWADDVKBVTPZ-QHCPKHFHSA-N 480.521 2.094 30 10 JEEE C#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](CCC(=O)OC)C(=O)O 757280951 IXLUVBIXHKCEAW-VXKWHMMOSA-N 478.501 2.440 30 10 JEEE C#CCN(CC(=O)O)C(=O)[C@H]1OCC[C@@H]1CNC(=O)OCC1c2ccccc2-c2ccccc21 757480621 RQGFQERKKMSHFG-OSPHWJPCSA-N 462.502 2.477 30 10 JEEE C=CCn1c(=C(C#N)C(=O)c2sccc2C)sc(=Cc2cnn(-c3ccccc3)n2)c1=O 917762378 KYPFZEPNTPNISJ-UHFFFAOYSA-N 459.556 2.432 30 10 JEEE COCCSc1nnc(NC(=O)CSc2n[nH]c(NN=Cc3ccccc3O)n2)s1 1084538521 ZHTVXNWUWCQYQG-UHFFFAOYSA-N 466.574 2.277 30 10 JEEE CC(C)(C)n1cc(C#N)cc1NC(=O)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 1203473744 GZSMDOMCLPKSBQ-UHFFFAOYSA-N 459.528 2.081 30 10 JEEE C#CCN(c1nnc(-c2cc3ccccc3o2)n1C[C@](C)(O)CCOC)[C@@H]1CCS(=O)(=O)C1 1286382488 JHPYMBXWVKUXRW-WZONZLPQSA-N 472.567 2.106 30 10 JEEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H](c1cccc(C)c1)N1CCOCC1 1286382546 SJWCLULMYJSMDH-VABKMULXSA-N 453.587 2.453 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CC(C)(C)CC)[C@@H]1CCS(=O)(=O)C1 1286385635 YAZCQOZRECURQD-GCJKJVERSA-N 452.621 2.382 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Cl)n1CCCCCS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 1286386571 CVTUENFCNVJGEU-QGZVFWFLSA-N 499.058 2.440 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1csc([C@@H](C)OC)n1)[C@@H]1CCS(=O)(=O)C1 1286394480 OUUDTQQVHVZCII-VQIMIIECSA-N 486.623 2.103 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nnc(C)s1 1286457852 FEWJORDSFFLJHU-INIZCTEOSA-N 460.560 2.167 30 10 JEEE C=C(Br)Cn1c(Cc2cn3ccccc3n2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1286543652 AORWSJMKVMPAFC-INIZCTEOSA-N 479.404 2.439 30 10 JEEE C=CCN(CCOC)c1nnc(C(=O)NC(C)C)n1C[C@H]1CCCN1C(=O)OC(C)(C)C 1286766928 ZIXRISPPYBOQMH-QGZVFWFLSA-N 450.584 2.455 30 10 JEEE C=CCNC(=O)Cn1c(N2CCN(CC(=O)Nc3c(C)cccc3C)CC2)nnc1C(C)(C)C 1286793733 KTKWNTZQGDZBGB-UHFFFAOYSA-N 467.618 2.255 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1CC(=O)Nc1c(C)cccc1C)[C@H]1CCS(=O)(=O)C1 1300479114 IPSBWZRWPIRSCZ-SFHVURJKSA-N 457.600 2.458 30 10 JEEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1CCc1n[nH]c(C)n1)[C@@H]1CCS(=O)(=O)C1 1300482811 HHLLSKDGKQOGGP-WOJBJXKFSA-N 467.599 2.116 30 10 JEEE C#CCN(c1nnc(C2(c3ccccc3)CCC2)n1C[C@H](COC)OC)[C@@H]1CCS(=O)(=O)C1 1300484142 RJYKTCSSSATZBZ-NHCUHLMSSA-N 472.611 2.036 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@H](C)c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1300487678 LCZPPLWDOZRLLI-JXFKEZNVSA-N 456.547 2.248 30 10 JEEE C#CCN(c1nnc(CC2CCCC2)n1CC(=O)Nc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1300501224 IAESGOIJAALJBM-HXUWFJFHSA-N 473.574 2.415 30 10 JEEE C#CCN(CC#CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCn1cncn1 1300578768 OUXGZNMCDNBGIB-UHFFFAOYSA-N 452.563 2.147 30 10 JEEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(-n2ccnc2C)c(F)c1 1300601954 MRBUFBFUPDLIDR-OAHLLOKOSA-N 459.551 2.029 30 10 JEEE C#CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCCN(CC)C(=O)C1 1300756172 HLLSHYSXEYUVPH-UHFFFAOYSA-N 451.556 2.019 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)N1CCOCC1 1300805881 KBKCNNWXUAQOKN-UMEGOILYSA-N 488.633 2.299 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)Nc2ccccn2)n1C[C@]1(O)CCOC1 1301348624 AJSGRIGYZXVKPG-HSZRJFAPSA-N 452.490 2.409 30 10 JEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CN(C)Cc2ccccc2)CC1 1301458995 NBCOQCYNLQSZAG-QFIPXVFZSA-N 488.658 2.145 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)nnc1[C@]1(OCC)CCOC1 1301520134 UNNXNNFKCBRJQT-IERDGZPVSA-N 497.522 2.289 30 10 JEEE CC(C)(C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1302211825 FZEBLGXEZYPCJB-GOSISDBHSA-N 458.588 2.135 30 10 JEEE CS(=O)(=O)[C@@H]1CCCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCC2)C1 1302433926 FMRPPDRKBHOXIG-LJQANCHMSA-N 459.572 2.047 30 10 JEEE N#CCCn1ccc(NC(=O)N2CCN(c3cnn(-c4ccccc4)c(=O)c3Cl)CC2)n1 1310329367 AXZXFAYCDNWAMU-UHFFFAOYSA-N 452.906 2.350 30 10 JEEE CCNS(=O)(=O)c1cccc(CNC(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)c1 1312837891 HSGWSSQMFJHPRJ-UHFFFAOYSA-N 455.584 2.320 30 10 JEEE CCNC(=O)C1(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N(C)[C@@H](C)CC#N)CCC1 1313974364 AGFUXQDIQASVMJ-INIZCTEOSA-N 458.588 2.393 30 10 JEEE CCS(=O)(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnn(C)c2C)CC1 1314504331 FEZIFKWHIVRIAS-UHFFFAOYSA-N 453.572 2.311 30 10 JEEE COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)N2CCC(C)CC2)CC1 1315743357 HEBQVJWCVMQZPM-HXUWFJFHSA-N 465.602 2.232 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CC1(S(C)(=O)=O)CCC1)[C@H]1CCS(=O)(=O)C1 1358958907 YETLLVRSUIEIJI-SFHVURJKSA-N 497.042 2.193 30 10 JEEE C#CCN(c1nnc(COCC)n1Cc1cc(Br)ccc1OC)[C@@H]1CCS(=O)(=O)C1 1358967694 QFTSUYNPHLJVFP-QGZVFWFLSA-N 497.415 2.261 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(OCC)cc3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1359030129 OUEPPPYYQSKRQD-WOJBJXKFSA-N 487.626 2.007 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2CC2(N(C)C)CCC2)CC1 1359046107 DZZQDBUYFZYURB-UHFFFAOYSA-N 464.614 2.328 30 10 JEEE C#CCSCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(CC(F)F)CC1 1359050002 BYIZZDBLTJIHAQ-UHFFFAOYSA-N 497.641 2.300 30 10 JEEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C[C@H](c1cccs1)N1CCOCC1 1359117141 HQIKIJMMHHASIA-IAGOWNOFSA-N 468.649 2.036 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CC(F)(F)C2(OC)CCOCC2)C1 1359324469 LQBRVIZYJOYPOK-QGZVFWFLSA-N 469.533 2.013 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)C1 1359325046 WVXABTKREBYMJP-ROUUACIJSA-N 462.595 2.437 30 10 JEEE C#CCn1ccc(CN(CC)C(=O)c2cc(S(=O)(=O)NCc3ccccc3)ccc2O)n1 1448864152 ZOEVQJHKIQDGTR-UHFFFAOYSA-N 452.536 2.363 30 10 JEEE C=CCn1c(SCC(=O)N2CCC(S(N)(=O)=O)CC2)nnc1-c1ccc(Cl)cc1 1464834729 UCWHZXAWGMPFEG-UHFFFAOYSA-N 455.993 2.156 30 10 JEEE C[C@@H]1CCCN1CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](CC(N)=O)C1 1493853166 FWVRJDKVIQCJIK-QUCCMNQESA-N 451.575 2.305 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@@H]1CCCN1CC 1497055526 FIKQSLQNUALGLA-ICSRJNTNSA-N 494.648 2.058 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCN(C)CCOC 1507538330 LMWZLVDQLBIOFH-OALUTQOASA-N 464.611 2.013 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cn4ccccc4n3)n2CC[S@@](=O)CC)c1 1507551117 AUBYVELKPUTFDC-DHUJRADRSA-N 489.605 2.341 30 10 JEEE C#CCCCn1c(N(C)CCS(=O)(=O)CC)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1507598043 AGEGOZCGMOUPLH-CALCHBBNSA-N 453.609 2.333 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccnc(OC(F)F)c1)[C@@H]1CCS(=O)(=O)C1 1507623021 OCXBQNYBYZUEIK-OAHLLOKOSA-N 453.515 2.247 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccc(-n2ccnc2C)nc1)[C@H]1CCS(=O)(=O)C1 1507623918 ZBQXANQYKIEQLU-IBGZPJMESA-N 467.599 2.140 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1507629999 XXIHSOKHXBELKG-RTBURBONSA-N 474.583 2.158 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@H]1CCCOC1)[C@@H]1CCS(=O)(=O)C1 1507639966 NQGFCRDPKYXPKI-WOJBJXKFSA-N 458.584 2.219 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccco1)N(CC)CC 1507669727 QMUUBGXORIZZKH-WOJBJXKFSA-N 457.600 2.319 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCCCCC2)nc1 1507711284 SOJURBCQCQZCLF-NRFANRHFSA-N 486.642 2.090 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](c2ccccc2)N(CC)CC)CC1 1507716119 MWDHKBHKFNMHKU-HSZRJFAPSA-N 463.630 2.352 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CC(F)(F)C2(OC)CCOCC2)CC1 1507740422 TWGNDXDLCTWARB-UHFFFAOYSA-N 465.545 2.027 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1507803546 HSIVPCYOUQDQSL-KNQAVFIVSA-N 477.606 2.461 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1507805259 OTMUQAJBJKOXJK-NZQKXSOJSA-N 488.658 2.495 30 10 JEEE C=C(C)COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1507839625 USRJOUKZUJKZDG-NRFANRHFSA-N 461.544 2.461 30 10 JEEE C=C(C)COCCn1c(-c2nnc(O)c3ccccc23)nnc1N1C[C@H](C)O[C@H](COC)C1 1507842816 CQZLIGOQFLSUDI-IRXDYDNUSA-N 454.531 2.427 30 10 JEEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)Cc2ccccc2C)CC1 1507843294 VVWGWZGYAJBALK-UHFFFAOYSA-N 463.586 2.471 30 10 JEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C)nc(C(C)C)n2)CC1 1507843811 VAFHODJFPGNRBU-LJQANCHMSA-N 468.606 2.370 30 10 JEEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CC)CCS(C)(=O)=O 1507868769 OMHNOKSJXJOQQW-HNNXBMFYSA-N 478.015 2.210 30 10 JEEE C=CCNC(=O)Cn1c(N2CC[C@H]3OCCC[C@@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1508098021 NAZKNBFLVYNZQJ-AKHDSKFASA-N 474.606 2.356 30 10 JEEE CCN(c1nnc(-c2cccc(C#N)c2)n1CCN(C)CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1515392882 FSNQJTCVNGXWER-KRWDZBQOSA-N 470.521 2.324 30 10 JEEE C#CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)CCNC(=O)C(C)C 1539095952 NDUHLDBCAIAITN-UHFFFAOYSA-N 459.620 2.168 30 10 JEEE C#CCCCn1c(N2CCN(C(=O)c3ccc(O)cc3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1539139145 BYPYULMKGSOJBD-RUZDIDTESA-N 467.570 2.400 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CC(C)(C)N1CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1539225621 PRVXFOBOWGCJTK-IFMALSPDSA-N 484.670 2.401 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CCC2CCN(CC(F)(F)F)CC2)CC1 1539488547 ASQLJVDKELPQCX-UHFFFAOYSA-N 484.567 2.445 30 10 JEEE C#CCSCCn1c(CC2CC2)nnc1N1CCN(C(=O)Cc2cccc(OC)c2)CC1 1539524869 PBSUIDQFOSIKIL-UHFFFAOYSA-N 453.612 2.497 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)[C@@H]1CCOC1 1539620280 KEEZMGACHJALHB-SBHAEUEKSA-N 475.615 2.402 30 10 JEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1C[C@@H](C)C[C@@H](C)C1)C1CC1 1540109847 VPUOWTOHXOCWFQ-SVFBPWRDSA-N 480.679 2.134 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N(CCS(C)(=O)=O)C1CC1 1540865691 PARBWUMGOLQFIX-UHFFFAOYSA-N 488.433 2.085 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCCN(c2nccc(OCC)n2)CC1 1540872375 MTKMJVDPQLPJFX-UHFFFAOYSA-N 494.575 2.216 30 10 JEEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1 1540909862 QVCUREGVBVZUET-QRWLVFNGSA-N 469.608 2.045 30 10 JEEE CCCC(=O)NC[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCOCC2)C1 1546831153 GWXYHRNOYBDNBJ-NRFANRHFSA-N 496.612 2.403 30 10 JEEE COc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1CCCN(C)CC(F)(F)F 1555106804 BKABDRFZQKJTBE-INIZCTEOSA-N 468.480 2.479 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1587579526 HRBHMKXAMQYDKP-GOEBONIOSA-N 453.515 2.428 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1C[C@@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1587683275 GHLSWTLRJPDTHS-DGGDGUMWSA-N 489.617 2.484 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@@H]1CCC[C@@H](O)C1)[C@@H]1CCS(=O)(=O)C1 1588039990 HFAVGVIHHZACLJ-MISYRCLQSA-N 458.584 2.132 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@H]1CCC=CO1)[C@H]1CCS(=O)(=O)C1 1588040492 NQWLQRMEPMDMBR-PKOBYXMFSA-N 472.567 2.282 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Cl)n1C[C@H]1CCCN1CCCO)[C@@H]1CCS(=O)(=O)C1 1588045567 MSKCRQWQTHFEHE-RTBURBONSA-N 492.045 2.072 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1CCc1ccc(F)cc1Cl)[C@H]1CCS(=O)(=O)C1 1588054622 OONCXSWXLUSLDR-WMZOPIPTSA-N 466.966 2.444 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CCN(CC)C1)[C@@H]1CCS(=O)(=O)C1 1588074533 NXRQLXFBGIHLOZ-XRXFAXGQSA-N 477.675 2.165 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H](C)N2CCC[C@@H](C)C2)CC1 1588751067 IFOOWIKSEAMYSW-SLSDLSHTSA-N 458.651 2.194 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CCCNC(C)=O)CC1 1588871351 AABBTJFBNYJJHU-UHFFFAOYSA-N 465.385 2.445 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccccc2COCC)CC1 1588884525 CZWPZAMKKYXELK-UHFFFAOYSA-N 478.597 2.065 30 10 JEEE C#CCSCCn1c(COc2ccccc2OC)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1589116402 HNABATLAUPHZDH-XMMPIXPASA-N 498.609 2.047 30 10 JEEE C=C(Br)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C(=O)NC)CC1 1589347014 BYCQGHCLXCIDAK-UHFFFAOYSA-N 465.352 2.332 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccc2OC)nnc1N(C)CC(=O)N1CCOCC1 1589558972 NDODFMDBQWJLPE-YKSBVNFPSA-N 469.586 2.154 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCN2C(=O)CC[C@@H]2C1 1595577255 MJNIWWNDDWMWLG-OAHLLOKOSA-N 479.368 2.277 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Br)nnc1N1CCC[C@@H](CC(N)=O)C1 1595776671 CTWQJYMXHYHPHV-HNNXBMFYSA-N 496.431 2.400 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 1595785203 UMSANMBWUKFDSG-SJLPKXTDSA-N 476.603 2.290 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCCN(Cc2ccc(F)cc2)CC1 1595796978 CPMYOBJYKYLWCM-HXUWFJFHSA-N 477.606 2.234 30 10 JEEE CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(C#N)cc3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 1615168314 VTGHVUPSOXVRDK-BJJGPXNVSA-N 473.510 2.399 30 10 JEEE CCN(C[C@H]1CCCO1)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1615562827 BEJAIBWEMIIOSI-AZUAARDMSA-N 458.588 2.104 30 10 JEEE CS[C@@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1620194134 CRLCFMHEGMWTQL-INIZCTEOSA-N 462.583 2.389 30 10 JEEE COC[C@H](C)n1c(SCC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)nc2ccccc2c1=O 1652444118 BSWOWDUSQRJECR-PXNSSMCTSA-N 457.600 2.388 30 10 JEEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1ccc(N2CCOCC2)cc1)[C@H]1CCS(=O)(=O)C1 1689980033 KMMFTRYRPVOTSS-UGKGYDQZSA-N 471.627 2.303 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1CCc1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1689992881 QPBDJQOPHGJLHI-IBGZPJMESA-N 471.558 2.482 30 10 JEEE C#CCN(c1nnc(COc2ccccc2OCC)n1Cc1nccs1)[C@@H]1CCS(=O)(=O)C1 1689996906 QWBBQAGERSCNDB-QGZVFWFLSA-N 487.607 2.387 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CC2(O)CCCCCC2)CC1 1690132232 LXGBQNKSHCWLOB-UHFFFAOYSA-N 456.616 2.110 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccsc1 1690245691 LUUYEYBVVVKRCZ-OTWHNJEPSA-N 481.644 2.290 30 10 JEEE C=CCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1690502766 FYTDKZANUHUTGC-JOCHJYFZSA-N 463.586 2.152 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC2(CC1)COC(=O)N2)C(C)C 1690581120 LDRAOVHLTGRWMN-MOPGFXCFSA-N 471.606 2.007 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1690675390 ZDIAUEQWLMTICC-JOCHJYFZSA-N 482.629 2.325 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@]2(O)CCO[C@H]2C)C1 1690684625 JPKMZKLMLAHPBV-MFSJNOQSSA-N 455.559 2.468 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(COc3cccc(C)c3)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1690711880 JVHDSHMNOMLQFP-CTNGQTDRSA-N 475.615 2.371 30 10 JEEE CC(C)Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCC(=O)N1CCCCC1 1692218304 AJGYXQMVSNNGIG-IBGZPJMESA-N 465.606 2.256 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCC1(COC)CCC1)[C@@H]1CCS(=O)(=O)C1 1705564685 DSOSYUYZONHFOW-RBUKOAKNSA-N 450.605 2.006 30 10 JEEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@]1(N(C)C)CCSC1 1705585212 OCDKPFLNOZEPMT-MHZLTWQESA-N 491.709 2.153 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1705592915 YCQIUIBOOLBTCH-NRFANRHFSA-N 491.411 2.029 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCNC(=O)c1cc[nH]n1 1705716422 KSOBQAKVIQGEPZ-SFHVURJKSA-N 488.593 2.142 30 10 JEEE C=C(Cl)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1705754763 FSDYTHDIJCQCQS-CRAIPNDOSA-N 467.979 2.309 30 10 JEEE C=C1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCS(=O)(=O)NC(C)C)CC1 1705769220 MNKFEQOQSYRROZ-SFHVURJKSA-N 498.650 2.071 30 10 JEEE C=CC[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OC)CC1)c1ccccc1 1705797285 TVAFYGNZLXLLRG-VQTJNVASSA-N 473.599 2.429 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O)C(C)C 1705869404 UEIQBYRYAREKAU-WOJBJXKFSA-N 485.633 2.001 30 10 JEEE CCN(CC)C(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCSC2)CC1 1710003370 AEXQWRPVUBWTSU-QHCPKHFHSA-N 469.615 2.269 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC1(O)CC(OCC)C1 1722302314 RGZQCOPBLGSXEE-LAJDMCDJSA-N 466.630 2.031 30 10 JEEE C#CCN(c1nnc(-c2ccccc2F)n1CC1(COC)CCOCC1)[C@H]1CCS(=O)(=O)C1 1722364283 YSGVJACCGVHYHO-SFHVURJKSA-N 476.574 2.154 30 10 JEEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCN(C)[C@@H]1c1cccs1 1722373510 OFQDYTBLDURTIJ-BJLQDIEVSA-N 474.656 2.106 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(OC)cc(OC)c2)n1CC1(CS(C)(=O)=O)CC1 1722388926 BSULFPKXHBXLOG-UHFFFAOYSA-N 456.568 2.250 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCNC(=O)C(C)C 1722422736 TWHQBFOEMDYQDS-LJQANCHMSA-N 475.590 2.121 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@@H](C)CN2CCOCC2)CC1 1722435257 FKLNNNMEDYKDOE-NRFANRHFSA-N 482.629 2.076 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCCN(CC(C)C)C2)CC1 1722440615 KPIISWPENMOIQU-NRFANRHFSA-N 483.686 2.393 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@@H](C)NC(=O)OC(C)(C)C)CC1 1722446301 RHLFNMFQCDHZOI-QGZVFWFLSA-N 467.574 2.219 30 10 JEEE C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2nc(C)cc(OCC)n2)CC1 1722519036 CSJAVTQKPVJEIZ-UHFFFAOYSA-N 463.546 2.325 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N(C)Cc1cnn(-c2ccccc2)n1 1722728861 ZAULLSWTKUDBMP-HXUWFJFHSA-N 471.587 2.338 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCN(CC(F)(F)F)CC1 1722729574 PDDPCDYFHAJDIK-UHFFFAOYSA-N 475.512 2.293 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2CC)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1722731068 CSCLQMBGVQDHCD-SFHVURJKSA-N 491.614 2.297 30 10 JEEE CCOc1ncccc1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@](F)(C#N)C1 1728907014 DMTBAMLQEIFRLM-QHCPKHFHSA-N 499.572 2.479 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H](C)N1CCN(CC)CC1 1740553287 ZWTHCSHEZAWDII-VQTJNVASSA-N 476.629 2.159 30 10 JEEE C#CCN(c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1740618656 JPARBOHWIHZHOT-JPYJTQIMSA-N 468.583 2.123 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(C)c(Br)c2)n1CC(=O)N1CCOCC1 1740650306 VWFJMGJESPCOAN-UHFFFAOYSA-N 470.371 2.338 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 1740678367 KYNKPUBMXAJODU-UHFFFAOYSA-N 472.590 2.167 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](CC)N2CCc3ccccc3C2)CC1 1740689658 YWVPHZVSQQTTNR-HSZRJFAPSA-N 463.630 2.008 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1740756214 OOCZVTLPDXBKKJ-NSHGMRRFSA-N 460.966 2.316 30 10 JEEE C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1740778174 MHDVGDJUKUGEMF-QGZVFWFLSA-N 463.380 2.450 30 10 JEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 1740792288 GWAQXHZFEFYKBS-UYAOXDASSA-N 458.607 2.297 30 10 JEEE C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(N(C)C(C)=O)CC1)c1ccccc1 1740796524 BLECWGFGLJPNMI-KRWDZBQOSA-N 460.604 2.049 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCCOC2)n1CCN1CCCS1(=O)=O 1740913524 DJKCDUHBVIFHQR-FQEVSTJZSA-N 475.615 2.409 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCOC2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1)C(C)C 1740926835 LOSMUXHBGIMHOH-YZUZCNPQSA-N 477.675 2.496 30 10 JEEE C=CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1741003372 SRFXCUXEDKZWMR-QFBILLFUSA-N 479.628 2.180 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CCCc2c[nH]nc2C)c1 1748692444 HRBNCJWXVCXMFA-UHFFFAOYSA-N 457.542 2.399 30 10 JEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1748718852 UTFQEKWHZUQZDX-ZWKOTPCHSA-N 465.620 2.429 30 10 JEEE C#CCN(c1nnc(-c2cc3ccccc3o2)n1CCSCCCO)[C@H]1CCS(=O)(=O)C1 1748807795 CPEFHHOXXIEWGB-SFHVURJKSA-N 474.608 2.434 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1Cc1ccc(OC)cc1F)[C@@H]1CCS(=O)(=O)C1 1748811225 DHUMXOXLGMNOKS-QGZVFWFLSA-N 457.531 2.106 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1748817356 JMXSQTWICALLMQ-UFYCRDLUSA-N 479.691 2.381 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1CC1(N2CCOCC2)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1748817769 PZEWSKCPBKIXFI-OAQYLSRUSA-N 477.675 2.138 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(=O)N1CCCCCC1 1748858108 MOBDZAPFBLQZHV-OAQYLSRUSA-N 498.628 2.452 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCn2cc(Cl)cn2)CC1 1749003497 LIVMXSWMVWKRPX-UHFFFAOYSA-N 497.987 2.478 30 10 JEEE C=C(C)Cn1c(N2CCN([C@H](C)C(=O)NC3CCCC3)CC2)nnc1[C@]1(OCC)CCOC1 1749207035 ARVIISIGZPFHFS-DVECYGJZSA-N 460.623 2.076 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCN(C)Cc2ccccc2)CC1 1749343259 YUMGNTRXNPXICH-JOCHJYFZSA-N 488.658 2.145 30 10 JEEE C=CCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC(CC(=O)NC)CC1 1749637929 LOHRSGOZHPYGEE-UHFFFAOYSA-N 451.619 2.181 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1749680959 UXYZFADCZGCSCE-JXQFQVJHSA-N 455.559 2.240 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC[C@H]1c1ccc(COC)o1 1749730888 UNXNAQNLMOOPLP-SFHVURJKSA-N 458.544 2.417 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCN(c2ccccc2F)C1 1760209866 ISQSIRNVSFWPJI-MOPGFXCFSA-N 472.590 2.017 30 10 JEEE C#CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@](C)(O)C(C)C 1760243660 CUUYTPTUJKNCJN-JOCHJYFZSA-N 462.620 2.040 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccc(OC(C)(C)C)nc2)CC1 1760257484 XMCKRWJSTIQYHY-RUZDIDTESA-N 468.602 2.306 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(Cc1ccco1)C[C@H]1CCCO1 1760281761 RBIMYXMIFXXXOI-PKOBYXMFSA-N 464.613 2.325 30 10 JEEE C#CCSCCn1c(N2C[C@H](C)O[C@]3(CCCOC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1760286802 VWPZRIZAZTWRRN-PMOQBDJRSA-N 464.632 2.459 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1760317257 CVJAZASJJNREJB-DIJFTKHXSA-N 471.514 2.195 30 10 JEEE C=CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)CCN1CCOC(C)(C)C1 1760434519 DLIFUADMLUEGCP-UHFFFAOYSA-N 451.579 2.434 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1760482779 QHEJESZPTYEKAQ-GOSISDBHSA-N 490.605 2.127 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@](O)(c1ccccc1)C(F)(F)F 1760505406 SUMYXPYWNXUVQO-UZLBHIALSA-N 488.532 2.269 30 10 JEEE CO[C@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1768015816 AGIMTRFVGXDAJO-MRXNPFEDSA-N 461.526 2.393 30 10 JEEE COc1ccc(-c2cc(O)nc(N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)n2)cc1 1858573731 ZNPOTBWIDQTJIB-UHFFFAOYSA-N 451.508 2.240 30 10 JEEE C=CCNC(=O)C1=C(N)Oc2c(c(C)nn2C)[C@@H]1c1ccc(OCC(=O)N(CC)CC)c(OCC)c1 1864770421 GUAGGOFPALJJRK-QFIPXVFZSA-N 497.596 2.371 30 10 JEEE C=CCN(CC=C)C(=O)[C@H](CCCC)NC(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1 1868596928 VPXABWNCFYIPHQ-QFIPXVFZSA-N 476.643 2.112 30 10 JEEE N#Cc1nnn(-c2ccc(N3CCCC3)cc2)c1NS(=O)(=O)c1ccc2nc(O)oc2c1 1870099446 GAMRZAJLYBZKLQ-UHFFFAOYSA-N 451.468 2.387 30 10 JEEE Cc1ccc(C(=O)Nc2c(C#N)nnn2Cc2cc([N+](=O)[O-])cc3c2OCOC3)cc1[N+](=O)[O-] 1870108106 PLVAUDYTDYVLLZ-UHFFFAOYSA-N 465.382 2.442 30 10 JEEE Cc1ccc(-n2nnc(C#N)c2NC(=O)CCCN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc1 1870155508 QKDBXOROEMNALC-UHFFFAOYSA-N 459.422 2.371 30 10 JEEE C=CCN=c1nc(N2CCN(c3ccccc3)CC2)[nH]c(=Nc2cc(OC)c(OC)c(OC)c2)[nH]1 1871563996 RDXPTBDUILSGSO-UHFFFAOYSA-N 477.569 2.409 30 10 JEEE Cc1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H](O)C2)cc1B1OC(C)(C)C(C)(C)O1 1963042791 ZBSPHQUIRXJQMB-GOSISDBHSA-N 460.380 2.348 30 10 JEEE N#Cc1cc2c(nc1-n1cnc(I)c1I)COC2 2066214899 OMAGCXSTJIAICP-UHFFFAOYSA-N 464.004 2.378 30 10 JEEE CC1=C(B2OC(C)(C)C(C)(C)O2)CN(C(=O)[C@H](CCC(N)=O)NC(=O)OC(C)(C)C)CC1 2141243591 IMFIRJDVMNVRTI-INIZCTEOSA-N 451.373 2.325 30 10 JEEE CC(C)(C)OC(=O)NOCCCNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2247881082 RBWYNJBLHHMDKU-UHFFFAOYSA-N 462.399 2.172 30 10 JEEE CC1(C)OB(c2cnc(C(=O)N[C@H]3CCCN(C(=O)OCc4ccccc4)C3)nc2)OC1(C)C 2255839397 VKOBWQCFIZESGS-IBGZPJMESA-N 466.347 2.307 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(Cl)s2)C1 2255840394 MFMREJXDZCQNGD-STQMWFEESA-N 472.800 2.411 30 10 JEEE CC1(C)OB(c2cnsc2C(=O)N[C@@H]2COCCN(C(=O)OCc3ccccc3)C2)OC1(C)C 2255844402 WHNGRKDXJBHHNA-KRWDZBQOSA-N 487.387 2.210 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]1NS(=O)(=O)c1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2255934142 XXATYOGQGIPTOH-GJZGRUSLSA-N 456.345 2.069 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CC(F)(F)F)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2256596319 XARSYPGANBFGEQ-VIFPVBQESA-N 466.291 2.043 30 10 JEEE C[C@@H]1C[C@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)CCN1C(=O)OC(C)(C)C 2256627549 WFHUQRAAJGIAGW-CHWSQXEVSA-N 452.386 2.233 30 10 JEEE CCc1nn(C)c(C(=O)NC[C@H](C)CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267140816 SOXDHGPWVBGDHN-AWEZNQCLSA-N 450.389 2.172 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H]1CON(C(=O)OC(C)(C)C)C1 2267360614 VYWQLALLRWVOON-MRXNPFEDSA-N 468.381 2.123 30 10 JEEE Cc1nc(C(=O)NCCCOCCNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2267480122 VAKLSIRIEPGREG-UHFFFAOYSA-N 469.413 2.412 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@@](F)(CNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2267521323 QXKCPFXHJNFAOJ-OAQYLSRUSA-N 452.336 2.178 30 10 JEEE Cc1cc(CNC(=O)[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)sc1B1OC(C)(C)C(C)(C)O1 2268784631 HITGUYPNXJLDFR-JOCHJYFZSA-N 466.409 2.344 30 10 JEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N(CCNC(=O)OC(C)(C)C)C[C@H](C)O 2269899860 GDCOJYODHTTWLV-AWEZNQCLSA-N 452.357 2.235 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](O)CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2281772134 HMGPOWDWVVMOLO-HZPDHXFCSA-N 464.343 2.225 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@H]2CCN(C(=O)c3nscc3B3OC(C)(C)C(C)(C)O3)C[C@@H]21 2281799652 YJQBDUXQNCEABT-JKSUJKDBSA-N 479.408 2.293 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@](C)(CNC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C1 2281998153 LDFWNMNGVKQZCT-JOCHJYFZSA-N 481.424 2.446 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC1CC(F)(CNC(=O)OC(C)(C)C)C1 2282044464 UOFRPLMRZSVEPE-UHFFFAOYSA-N 466.363 2.092 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@@](CO)(NC(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282181115 BJMQHNFFBWRCKU-XMMPIXPASA-N 460.380 2.478 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@]2(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2282200165 NIPQAFNYJMERNG-NPMXOYFQSA-N 461.368 2.070 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](O)CN(C(=O)c2ccc(F)cc2B2OC(C)(C)C(C)(C)O2)C1 2282403167 PIDOOWUXEAKSCE-HZPDHXFCSA-N 464.343 2.225 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)c3ccsc3B3OC(C)(C)C(C)(C)O3)C[C@H]2[C@H]1CO 2282484049 AERBEWRTKHLXMH-USXIJHARSA-N 478.420 2.347 30 10 JEEE CC(C)(C)OC(=O)N1CC(NC(=O)c2cc(Cl)ccc2B2OC(C)(C)C(C)(C)O2)(C(=O)O)C1 2282547436 QMWIXRNLWXOIAS-UHFFFAOYSA-N 480.754 2.443 30 10 JEEE CN(CC1CCN(C(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CC1)C(=O)OC(C)(C)C 2282552478 KPSWZDDPKSSTMO-UHFFFAOYSA-N 462.400 2.438 30 10 JEEE CO[C@H]1CN(C(=O)c2nccc(C)c2B2OC(C)(C)C(C)(C)O2)C[C@@H]1NC(=O)OC(C)(C)C 2282559601 QFNIZRSKGWMFMV-HOTGVXAUSA-N 461.368 2.053 30 10 JEEE CC(C)(C)OC(=O)NCCCn1cc(NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)cn1 2282576479 RFDNEYKXCGZNAI-UHFFFAOYSA-N 460.344 2.073 30 10 JEEE Cc1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H](CCO)C2)oc1B1OC(C)(C)C(C)(C)O1 2282583693 MZKQRXJPTBRMMV-INIZCTEOSA-N 464.368 2.331 30 10 JEEE CO[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)N(C(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2282667221 OZXVINXNIMWIMB-HZPDHXFCSA-N 461.368 2.135 30 10 JEEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCC[C@@H]1CCCN1C(=O)OC(C)(C)C 2282680045 IUAZIMXRXLARLL-OAHLLOKOSA-N 463.388 2.024 30 10 JEEE CN(C[C@@H]1CCCN(Cc2ccccc2)C1)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282695421 NMVYDLQJAOIGTK-IBGZPJMESA-N 453.396 2.099 30 10 JEEE Cc1cc(S(=O)(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)sc1B1OC(C)(C)C(C)(C)O1 2282835682 AFIDYXAKGXVTKV-HSZRJFAPSA-N 492.472 2.271 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CC2(CC2)C1 2283070406 VWUSETMFOVDHSG-OAHLLOKOSA-N 458.368 2.295 30 10 JEEE CCO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2283969748 QXJDPCDSBWIBER-GJZGRUSLSA-N 481.424 2.331 30 10 JEEE O=C1C(=O)N(CCN2CCOCC2)[C@@H](c2ccc([N+](=O)[O-])cc2)C1=C(O)c1ccc(F)cc1 2296091367 MBBBKEDCRNFLEG-FQEVSTJZSA-N 455.442 2.488 30 10 JEEE COc1ccc(OC)c([C@@H]2C(=C(O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN(C)C)c1 2296557192 XQOOMYQSDUPOHO-JOCHJYFZSA-N 468.506 2.458 30 10 JEEE COc1ccc(-c2[nH]n(-c3ccc([N+](=O)[O-])cc3)c(=O)c2C=NCCN2CCNCC2)cc1 2296649614 PDVWLWQOUCASSS-UHFFFAOYSA-N 450.499 2.074 30 10 JEEE CCOc1ccc(C=NNc2nc3c(c(O)nc(=O)n3C)n2C[C@H](O)COc2ccc(C)cc2)cc1 2327754102 QVVQUVGNEKZMFY-SFHVURJKSA-N 492.536 2.429 30 10 JEEE COc1cc(C=Nn2c(CNC(C)=O)nnc2SCC(N)=O)ccc1OCc1ccc(C)cc1 2330743832 BROHODBXWUFQPB-UHFFFAOYSA-N 482.566 2.270 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@H](CNC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C1 2337344210 XSTCEYLIRXJNNW-CQSZACIVSA-N 467.397 2.056 30 10 JEEE O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCS/C1=N\CCc1ccccc1 9256883 CUUCWQCTWHOMNR-FCQUAONHSA-N 459.593 2.495 30 10 JEEE C=CCC[C@H](O)CN1CCN(Cc2nc(C(=O)N3CCN(c4cccc(OC)c4)CC3)co2)CC1 34677753 KWBFEBCQKAFANW-QFIPXVFZSA-N 483.613 2.090 30 10 JEEE COCCn1cc(/C=N/Nc2nc(SCC(=O)Nc3ccc(OC)c(Cl)c3)n[nH]2)cn1 59887258 NHTMAKPGIRAMEI-DNTJNYDQSA-N 464.939 2.486 30 10 JEEE C=CCOC(=O)C1=C(C)N=c2sc(=C3C(=O)N(C(C)=O)c4ccccc43)c(=O)n2[C@H]1c1ccccc1 254745450 ULBUYIIWZFEBBU-QFIPXVFZSA-N 499.548 2.228 30 10 JEEE CC1CCC(C#N)(N(C)C(=O)[C@H](C)Sc2nnc(C[C@H]3CCS(=O)(=O)C3)n2C)CC1 480851987 BIEVXPSGQQZOBV-QNBXZPKWSA-N 453.634 2.204 30 10 JEEE CC(C)c1ccc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3ccccc3)c2=O)cc1 603786581 CNGPNFWNMIXZSD-UHFFFAOYSA-N 459.571 2.384 30 10 JEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2Cl)c(=O)n1-c1ccccc1C#N 604001948 ILIGKRABQMGQEU-UHFFFAOYSA-N 476.945 2.238 30 10 JEEE CS(=O)(=O)c1ccc(N2CCN(C(=O)NCc3ccc(C#N)cc3F)CC2)c([N+](=O)[O-])c1 609254359 KVBDITKIZKGJON-UHFFFAOYSA-N 461.475 2.041 30 10 JEEE COc1cc(C=NNc2nc(SCC(=O)Nc3ccc4c(c3)OCCO4)n[nH]2)ccc1O 1084108080 XDLZTXFWUUNVCE-UHFFFAOYSA-N 456.484 2.467 30 10 JEEE C[C@H](NC(=O)CSc1nnc(NN=Cc2cc([N+](=O)[O-])ccc2O)n1N)c1ccccc1 1084133209 FCJJKJSQFWJVAP-LBPRGKRZSA-N 456.488 2.021 30 10 JEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCO[C@H](c3cccc(OC(F)F)c3)C2)cc1 1153146525 MXCJNTTUBUOWEL-IBGZPJMESA-N 450.463 2.413 30 10 JEEE N#Cc1cc(Br)ccc1C(=O)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 1264635774 FIHCMFCPVHZKAU-UHFFFAOYSA-N 459.325 2.228 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCOC[C@@H]1CCCO1 1286286544 ZAZQBHLNFCOLRK-ROUUACIJSA-N 460.604 2.282 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc(C)o3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)c1 1286310035 WEQUHTVSGJDGGE-LJQANCHMSA-N 496.593 2.184 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCCn1ccnn1)[C@@H]1CCS(=O)(=O)C1 1286382517 AXYWKQGQTSHZSR-NHCUHLMSSA-N 497.625 2.343 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCC1(COC)CCC1)[C@@H]1CCS(=O)(=O)C1 1286389511 LFAGCWYLGFEWPO-LJQANCHMSA-N 457.600 2.482 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1c(F)cccc1N1CCCC1 1286420825 SZABHWJLGXQUCJ-GOSISDBHSA-N 472.590 2.139 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1OCC(F)(F)F 1286465022 HXKKLOCIJFWHSY-MRXNPFEDSA-N 451.449 2.305 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(COC)cc2)CC1 1286483964 BJDSNFLWBNXVAB-UHFFFAOYSA-N 464.595 2.220 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCCCN2C[C@@H](C)C[C@H](C)C2)CC1 1286493459 VPUISIQYUOMVDM-VXKWHMMOSA-N 497.688 2.124 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2c(F)cccc2F)nnc1N(C)CC(=O)N1CCOCC1 1286559521 XEHFDHAOKJZUOF-UZUQRXQVSA-N 475.540 2.423 30 10 JEEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1286604479 UCZOBQDZSXMMLF-INIZCTEOSA-N 454.984 2.104 30 10 JEEE C=C(C)COCCn1c(-c2ccccc2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1286605664 RPOYANAXHVIXCW-UHFFFAOYSA-N 480.613 2.478 30 10 JEEE C=C1CCN(c2nnc(CCN3CCN(c4ccccc4)CC3)n2CC(=O)N(C)CC)CC1 1286647706 KUZZTQICDSFJEK-UHFFFAOYSA-N 451.619 2.278 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)Nc2ccccn2)n1C[C@@]1(O)CCN(C)C1 1286742944 SANSMIMBNQRWCZ-RUZDIDTESA-N 472.553 2.056 30 10 JEEE C=CCn1c(N2CCN(CC(=O)N(C)C3CCCCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1286777745 LCWWKTNCQCQLJH-RUZDIDTESA-N 474.650 2.418 30 10 JEEE CC(=O)NC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cccs2)CCO1 1286944362 GUCVINLICKCMCP-IBGZPJMESA-N 452.540 2.180 30 10 JEEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCn2cncn2)C[C@H]1NC(=O)OC(C)(C)C 1291217628 FOTIEIXGHXSEEK-QFBILLFUSA-N 463.546 2.458 30 10 JEEE C#CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCCN(C(C)=O)CC1 1300362610 SCBXHXVFCNHQMK-UHFFFAOYSA-N 450.591 2.314 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1Cc1ccc(N2CCC(CO)CC2)cc1)[C@@H]1CCS(=O)(=O)C1 1300496260 OXIVKHIJLIGIQY-XMMPIXPASA-N 499.681 2.360 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1300504709 QWHYFQDQQNKSJT-HXUWFJFHSA-N 483.594 2.051 30 10 JEEE C#CCN(CCOC)c1nnc(CC2CCCC2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1300674671 BYCLUJROWIWGNQ-NHCUHLMSSA-N 463.648 2.301 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccn3)n2C[C@@H]2CCCN(C(C)=O)C2)n1 1300681698 YZSOMWOVSUFOHF-OAQYLSRUSA-N 476.585 2.081 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC2(COC)CCC2)CC1 1300716195 KECQYWDXIBLSLE-VWLOTQADSA-N 473.618 2.101 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1CCNC(=O)c1cccc(OC)c1 1300788518 CCFJZQGSCPLWPH-RPBOFIJWSA-N 467.570 2.361 30 10 JEEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(OCC2CC2)CC1 1300848297 CPRYFUYLJULYNV-HNNXBMFYSA-N 459.410 2.484 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1301164609 VIUDIRZMBUKJIP-BZSNNMDCSA-N 460.579 2.077 30 10 JEEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1301206963 MFNOPXQRYDHJTH-LJQANCHMSA-N 456.572 2.417 30 10 JEEE C=CCCOCCn1c(-c2cccnc2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1301248705 KBFQGTVIGWQNMK-REWPJTCUSA-N 467.618 2.312 30 10 JEEE C=CCCOCCn1c(-c2cccc(C)n2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1301248920 MAAHEOYYOJAFJD-QHCPKHFHSA-N 453.547 2.056 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(N2CCC(OC)CC2)CCCC1 1301295769 ZUFSMQINNZJEIL-GOSISDBHSA-N 451.637 2.226 30 10 JEEE C=CCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1301453839 DBSSPWHHGRQCSO-INIZCTEOSA-N 456.572 2.264 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCO[C@H](CCC)C1 1301577339 NFGWMUFWZSXFAU-GOSISDBHSA-N 462.572 2.322 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1301577827 OGPLUBHRMQSIOD-HNNXBMFYSA-N 467.979 2.476 30 10 JEEE CCc1nc(CN(C)c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCS(=O)(=O)CC2)cs1 1306028653 GHSDUIWZWQLHSZ-UHFFFAOYSA-N 486.623 2.412 30 10 JEEE CN(CCNC(=O)C1CCN(S(=O)(=O)c2ccc(CC#N)cc2)CC1)Cc1ccccc1 1309249447 HOAIIVFWTUEEIK-UHFFFAOYSA-N 454.596 2.402 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1CCCCN1CCCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1358961160 SJZAKBRHGGGCLE-PMACEKPBSA-N 471.631 2.016 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCCCC2)nc1 1358994001 BNVQPSQHUYAJFA-NRFANRHFSA-N 466.611 2.077 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC1(S(C)(=O)=O)CCC1 1359018344 MOJAWYPMOYKAAT-UHFFFAOYSA-N 473.599 2.201 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](C)c2c(C)noc2C)CC1 1359043855 LMOWGALCVNMVNW-OAHLLOKOSA-N 450.547 2.053 30 10 JEEE C#CCSCCn1c([C@@H](C)OCCOC)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1359049800 WNJOTJSBLXWJHJ-QGZVFWFLSA-N 453.609 2.426 30 10 JEEE C=C(C)COCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1359126074 DUDGAEGBDUHLAI-UYAOXDASSA-N 471.558 2.100 30 10 JEEE C=C(Cl)Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1359154284 KNFRFFZHNPJZPD-IERDGZPVSA-N 475.041 2.271 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C(C)=O)C[C@H]1C 1359291823 CGLHPPFMMPENNR-IEBWSBKVSA-N 454.575 2.394 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1359292238 LARFQLSIVUJXKT-APWZRJJASA-N 479.578 2.263 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCC2(CC1)COC(=O)N2 1359293983 HBVWDLOFHDNDIN-UHFFFAOYSA-N 493.337 2.228 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 1359295260 WEIOANKVTYZARN-UHFFFAOYSA-N 451.487 2.384 30 10 JEEE CC[C@@H](C)N(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1496121406 FUOHECFDBOUHPP-YLJYHZDGSA-N 476.589 2.079 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccc(OCCC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1507633945 VSSOJBNHIZNOAK-UXHICEINSA-N 488.610 2.254 30 10 JEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1C[C@@]1(O)CCSC1)[C@@H]1CCS(=O)(=O)C1 1507634142 LGOMNHBQIQEUJF-NQIIRXRSSA-N 481.043 2.017 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(F)cc2Br)n1CCCn1cnnn1 1507664370 LAVGGNCEBBUPQR-UHFFFAOYSA-N 457.311 2.386 30 10 JEEE C#CCN(CC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H](N1CCOCC1)C(F)(F)F 1507685421 PVTPIXFVNSHBCX-GOSISDBHSA-N 451.449 2.396 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Cl)c3)n2CC(=O)NCC(F)(F)F)CC1 1507734769 XMCVAJQLERYIIY-UHFFFAOYSA-N 482.894 2.243 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)ccc3C)n2CCNC(=O)C(C)C)CC1 1507739600 CNTMNBXOWHGHOL-UHFFFAOYSA-N 480.613 2.212 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCc2c(C)cccc2C)CC1 1507739976 HMFXHLXJEOWUEX-UHFFFAOYSA-N 462.598 2.226 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H]2CCOC[C@@H]2OC)CC1 1507742994 UZIUXGLGBNMYCA-AVRDEDQJSA-N 487.551 2.164 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCOC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1508008328 NFPYMPHKYPWSSL-DLBZAZTESA-N 451.618 2.318 30 10 JEEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCC([C@H]2CCCO2)CC1 1508143798 NZMNPFUQQVLMQF-GOSISDBHSA-N 493.655 2.266 30 10 JEEE CC(=O)N1CCCN([C@@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3C[C@@H](C)N(C)C)C[C@@H]2C)CC1 1508234265 UWQNEPLOLAGFTK-DCLXLUIPSA-N 478.645 2.146 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1cccc(C(F)(F)F)n1 1510192916 DMYHQDJRWVIUJL-SCLBCKFNSA-N 471.509 2.480 30 10 JEEE CC[C@H](C)NC(=O)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](C#N)C1 1513192479 CGKWQEHAXVWWIC-KSZLIROESA-N 475.594 2.384 30 10 JEEE C#CCCCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1539067761 KQQCRFGCIPXHCT-UHFFFAOYSA-N 461.570 2.403 30 10 JEEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1539097348 KDVTWQYUCHYVGR-HSZRJFAPSA-N 455.515 2.415 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1ccc(OC)c(OCC)c1)[C@H]1CCS(=O)(=O)C1 1539215640 HRIFQMHCGYYCPT-FQEVSTJZSA-N 481.578 2.422 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@@H]1CCC[C@@H](O)C1)[C@@H]1CCS(=O)(=O)C1 1539230728 PRKCIVRODSYOIQ-GUDVDZBRSA-N 476.574 2.174 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCc1nnc2n1CCCCC2 1539299092 FAWAKMMVADPOCQ-RUZDIDTESA-N 465.602 2.342 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](NC(C)=O)C1 1539647062 VCVBNJWZIUXRJH-UEXGIBASSA-N 472.615 2.356 30 10 JEEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCc2nn(C)c(=O)cc2C1 1539728093 CTDCHZAOZAMVTA-UHFFFAOYSA-N 474.363 2.285 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](NC(=O)OCC)C1 1539902477 IFYRBRQFRHALTC-CVEARBPZSA-N 456.613 2.206 30 10 JEEE C=CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@@H](C(=O)NC)C1 1539982012 PYJCNEDESOWPBO-QGZVFWFLSA-N 459.620 2.475 30 10 JEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C)cc(OC)c1)C1CC1 1540107832 DENCTGMCFUKLGB-HXUWFJFHSA-N 461.588 2.131 30 10 JEEE CC(C)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCSCC2)[C@H](C)C1=O 1541566573 BULRMNUUHPBJMW-HXUWFJFHSA-N 497.669 2.471 30 10 JEEE N#C[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccnc(OCC(F)(F)F)c2)CCO1 1555991989 CJPOAIHPSOHTNK-HNNXBMFYSA-N 488.430 2.039 30 10 JEEE C=CCn1c(S)nc2cc(C(=O)N3CC[C@H](C(=O)OC)C[C@@H]3[C@@H]3CCCO3)ccc2c1=O 1558481491 KNONOIDDSKTZCR-IPELMVKDSA-N 457.552 2.444 30 10 JEEE C=CCN(C(=O)CCn1c(S)nnc1-c1ccc(OCC)cc1)[C@H]1CCS(=O)(=O)C1 1583030259 HUFAPFSHLGBETO-INIZCTEOSA-N 450.586 2.224 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@](C)(O)c1ccsc1)[C@@H]1CCS(=O)(=O)C1 1588055486 WKYNQJTYBVGGOD-LVCYWYKZSA-N 464.613 2.116 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCC[C@@H]1OC 1588647315 UMKOKBSXJRGNEJ-AABGKKOBSA-N 477.606 2.488 30 10 JEEE C#CCN1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCCOC(F)(F)F)CC1 1588813139 WBUMOJBRNBBFJP-UHFFFAOYSA-N 478.523 2.134 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2cnn(CC)c2)CC1 1588908266 MMTMBUFXOKCOKD-UHFFFAOYSA-N 452.950 2.224 30 10 JEEE C#CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1588974812 BWXMBORHSRSLFA-OALUTQOASA-N 487.029 2.475 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1589581719 VXXJOFURRUIAIZ-UHOSZYNNSA-N 453.609 2.019 30 10 JEEE C=CCCCCn1c(-c2ccccc2OC)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1594600229 MWJLLUXPDCLGMT-UHFFFAOYSA-N 454.575 2.483 30 10 JEEE C=CCCOCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCN(C)C(=O)C1 1594807406 NWAUODDVLIZUIB-UHFFFAOYSA-N 465.558 2.107 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1csc(CC)n1)C1CC1 1595058136 BOKRCSBNHYLRQN-KRWDZBQOSA-N 466.633 2.027 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCO[C@@]2(CCOC2)C1 1595501105 MKWWEGIMWWGQGO-NRFANRHFSA-N 476.375 2.314 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(C(=O)OCC)CC1 1595506605 GXLAAOXRWVTHGC-UHFFFAOYSA-N 462.938 2.188 30 10 JEEE CCO[C@]1(c2nnc(N(C)Cc3cccc(C#N)c3)n2CC2(CS(C)(=O)=O)CC2)CCOC1 1616149160 DMPRHUYEZNJGGO-HSZRJFAPSA-N 473.599 2.263 30 10 JEEE CCS(=O)(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cnccc2OC)CC1 1617356322 FCTNCXRDDCOADW-UHFFFAOYSA-N 481.582 2.177 30 10 JEEE CO[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(Cc2cc(C)no2)CC1 1618946722 GCUGJQBNBZIBQN-SFHVURJKSA-N 451.531 2.382 30 10 JEEE C=CCn1c(S)nnc1-c1sc(NC(=O)[C@H](NC(=O)C2CCCC2)[C@@H](C)O)nc1C 1628356772 DDUXRVHLCCXSSZ-DGCLKSJQSA-N 450.590 2.179 30 10 JEEE C#CCN(CCC(=O)N1CCN(c2ccccn2)CC1)C1CCN(C(=O)OC(C)(C)C)CC1 1654784485 BDHXRDQFPNYGJS-UHFFFAOYSA-N 455.603 2.455 30 10 JEEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1689879824 IOGWYZFQVGFBPW-UHFFFAOYSA-N 484.626 2.490 30 10 JEEE C#CCN(c1nnc(Cc2c[nH]c3ccccc23)n1CC(C)(C)C(=O)NCC)[C@@H]1CCS(=O)(=O)C1 1689993312 APBJBKCONAROSY-LJQANCHMSA-N 496.637 2.139 30 10 JEEE C#CCN(c1nnc(CCCc2ccccc2)n1CCc1nccnc1C)[C@@H]1CCS(=O)(=O)C1 1689993941 OAFZENDSJRUOMA-JOCHJYFZSA-N 478.622 2.421 30 10 JEEE C#CCN(c1nnc(Cn2ccc3ccccc32)n1CCC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1689993997 OYEVVNPUBHNJBC-IBGZPJMESA-N 455.584 2.069 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccccc2OC)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1690028446 WRZCGZBGANSMGI-RTWAWAEBSA-N 497.621 2.143 30 10 JEEE C#CCN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCN1CCOC(C)(C)C1 1690057803 ILSYYBAHUNOUPI-UHFFFAOYSA-N 458.994 2.432 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc3ccccc3n2)n1CCN/C(O)=C1\N=CC=CC1=O 1690098279 CIUUQXXNRQKTCT-ZNTNEXAZSA-N 471.521 2.106 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CC2(CCOC)CCCC2)CC1 1690141902 DOOWLDGNLYWDDT-UHFFFAOYSA-N 451.575 2.298 30 10 JEEE C#CCSCCn1c(N2CCN3C(=O)CC[C@@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1690186470 QTCJMIIMRQDTFN-FGTMMUONSA-N 474.631 2.226 30 10 JEEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1690227549 BMAFEJDOXKHVPS-GOSISDBHSA-N 480.455 2.133 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1690237975 CXGGIFBRMAGZPU-KLJBMEJHSA-N 450.580 2.368 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1690253642 RZRXDPHGKGXVRM-NWSQWKLXSA-N 469.586 2.406 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 1690310100 UBMJSHNWIFWYIC-OALUTQOASA-N 467.574 2.380 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC(C(=O)NC)CC1 1690664459 UAMVTKBQRKSWTQ-UHFFFAOYSA-N 475.391 2.281 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1690668976 PCABNAFHZWOLRW-YJBOKZPZSA-N 455.563 2.300 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1690720231 CGUGUHWCROJUMI-UHFFFAOYSA-N 497.625 2.144 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1690726851 NQZZNRJRADQVQA-NRFANRHFSA-N 492.715 2.136 30 10 JEEE CC(C)(C)NC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCSC2)CC1 1691210771 ACIWRPRLDTXQNH-HSZRJFAPSA-N 469.615 2.315 30 10 JEEE CCN(CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1)C(C)C 1695748135 HSCPRWGKQYBDJV-FQEVSTJZSA-N 476.589 2.079 30 10 JEEE COC(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C(C)C)N2CCOCC2)C1 1697044468 CZVPICWSVXYZJB-LEWJYISDSA-N 452.559 2.173 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@H](C(C)C)N1CCOCC1 1705500365 MBILJISOTPZFSK-RSXGOPAZSA-N 493.700 2.458 30 10 JEEE C#CCN(C)c1nnc(COc2ccc(C)c(C)c2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1705557271 MPEDGWUHKOSRFN-QFIPXVFZSA-N 452.603 2.486 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCN(C)C1CCCC1)[C@@H]1CCS(=O)(=O)C1 1705566303 MZXBYXXYUCAMJC-HXUWFJFHSA-N 456.616 2.150 30 10 JEEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@H]1CCCCC(F)(F)C1)[C@H]1CCS(=O)(=O)C1 1705569077 YWIGMFWTBBGBJJ-ROUUACIJSA-N 483.585 2.243 30 10 JEEE C#CCN(CC#C)c1nnc(COc2cccc(C)c2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1705585932 OHOZYYZGCGXDOW-JTHBVZDNSA-N 481.622 2.443 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2cccc(C(C)(C)O)c2)CC1 1705643355 CQVHTAAUXBGVGZ-UNMCSNQZSA-N 453.587 2.033 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCN2CCCO[C@H](C)C2)CC1 1705644017 XBKCBAFKDNOTIE-DNVJHFABSA-N 472.678 2.453 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cnn(Cc2ccccc2)c1 1705668754 SPGKDCNIMFYUOE-WZONZLPQSA-N 467.599 2.174 30 10 JEEE C=C(Br)Cn1c(Cn2nc(C)cc2C)nnc1N1CCCN(C(=O)C2CC2)CC1 1705691377 DUYBYGHKMWOQJK-UHFFFAOYSA-N 462.396 2.497 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCOCC1 1705696803 QRIHXYDPLGXUMO-UYAOXDASSA-N 461.588 2.013 30 10 JEEE C=CCCCn1c(Nc2cnn([C@H]3CC3(F)F)c2)nnc1[C@@H]1CN(S(C)(=O)=O)CCO1 1705824563 TYCNDALMWQFREZ-GJZGRUSLSA-N 457.507 2.097 30 10 JEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@H](C)c2nccs2)CC1 1705830983 ZNHLHSBMTQZIQT-MSOLQXFVSA-N 480.660 2.113 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21)C(C)C 1705866947 CZDDHCAAPGLZJB-FDFHNCONSA-N 483.661 2.460 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1705906888 RUFGBNOSWRCBSS-CYFREDJKSA-N 455.559 2.160 30 10 JEEE CC(C)NC(=O)CN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(N(C)C)CCSC1 1706641458 FTXGYMWEZGAEAY-QHCPKHFHSA-N 471.631 2.127 30 10 JEEE CC(C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCCN1CCCO[C@@H](C)C1 1708242152 FZAXWYJOBIBANV-FQEVSTJZSA-N 452.607 2.496 30 10 JEEE COc1ccc(Br)c(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCNC(=O)C(C)C)c1 1711714948 DVEDIDRXZMDXOI-HNNXBMFYSA-N 477.363 2.217 30 10 JEEE COCCC1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@H](C)CC#N)CCCCC1 1712338012 AASBJIRUDVCQBY-RTBURBONSA-N 482.651 2.336 30 10 JEEE C#CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1722329115 DNLRTLXJNAQGGP-UHFFFAOYSA-N 461.588 2.236 30 10 JEEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(CC)(CC)NC(=O)OC(C)(C)C 1722351993 MUGRNESPOGNRGG-MRXNPFEDSA-N 453.609 2.333 30 10 JEEE C#CCN(c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@H](COC)OC)[C@H]1CCS(=O)(=O)C1 1722358760 FWWCQDXTLLHNTJ-YTQUADARSA-N 492.667 2.420 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H](C)CNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1722360047 CLDLNPBLKSUKLY-ROUUACIJSA-N 490.630 2.071 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(S(C)(=O)=O)CC1 1722399637 DQTCTOCBBIVZQO-IBGZPJMESA-N 489.642 2.433 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCS(=O)(=O)NC(C)C)CC1 1722431287 NQECDDHCCSGLQX-SFHVURJKSA-N 495.049 2.155 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Cl)c3)n2CC2(S(C)(=O)=O)CC2)CC1 1722443895 OYFAISUJTXWZFP-UHFFFAOYSA-N 476.002 2.142 30 10 JEEE C#CCSCCn1c(COc2ccccc2CC)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1722465912 WOTIAIFQTIIEJH-UHFFFAOYSA-N 479.610 2.373 30 10 JEEE C=C(C)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1722521557 OQHXURLYGYFNAY-UHFFFAOYSA-N 498.628 2.299 30 10 JEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](OC)c1ccccc1)C1CC1 1722651669 XVSQSDKSYDQWAH-WOJBJXKFSA-N 461.588 2.154 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCO[C@H](c2ccc(F)cc2Cl)C1 1722697196 JBTMKYNDIVIARY-SFHVURJKSA-N 457.897 2.408 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(c2ccccn2)CC1 1722701780 DBLPNGRTKYXQHS-UHFFFAOYSA-N 461.570 2.498 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCO[C@@H](c2nccs2)C1 1722706460 SSPSUTKDWJYZRA-GOSISDBHSA-N 470.555 2.202 30 10 JEEE CCC[C@H](C)C(=O)NCCn1c(-c2cccn2C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1727927038 DGGMLHYKUHGBRN-IBGZPJMESA-N 475.601 2.429 30 10 JEEE CCCc1nc(C)c(Cn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@H](CNC(C)=O)C2)o1 1727974659 FQYOKMIJQZJRJM-HXUWFJFHSA-N 463.542 2.455 30 10 JEEE CS(=O)(=O)c1ccc(OCCn2c([C@@H]3CCOC3)nnc2N2CCC(CC#N)CC2)cc1 1730993936 FRQDMKSONVEXPJ-GOSISDBHSA-N 459.572 2.395 30 10 JEEE CS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](Oc2ncccc2F)C1 1731007019 DZUHDERESPQEOI-GOSISDBHSA-N 470.530 2.443 30 10 JEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1740582504 OGRJQLWKSPNSDZ-NTKDMRAZSA-N 487.626 2.383 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1740616346 ZEQNHYQGVDKLBW-TZIWHRDSSA-N 485.610 2.201 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1ccc(OC)c(OC)c1OC)[C@@H]1CCS(=O)(=O)C1 1740620910 HTKOEBWZBBTBBZ-GOSISDBHSA-N 497.577 2.041 30 10 JEEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(OC)c(OC)c1OC 1740639582 XBEQAYFOUOLSJQ-UHFFFAOYSA-N 463.494 2.153 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@H]1CCN(S(C)(=O)=O)C1 1740682343 RSGJPNFZCIRCCG-ROUUACIJSA-N 491.683 2.499 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC2CCN(C(=O)OC)CC2)CC1 1740693163 VWZUMKXHWVFWNE-UHFFFAOYSA-N 482.585 2.196 30 10 JEEE C#CCN1CCN(c2nnc(CC3CCCC3)n2CC[C@@H](N2CCOCC2)C(F)(F)F)CC1 1740698948 REWQHMRCDGKYSS-HXUWFJFHSA-N 468.568 2.419 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)c2ncc(C)s2)CC1 1740700981 PPRYNDPXVYXBLV-MRXNPFEDSA-N 469.615 2.049 30 10 JEEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](c2ccc(F)cc2)C1 1740717023 HEYRDHMHKUREDS-ICSRJNTNSA-N 493.630 2.110 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC1(C(N)=O)CCOCC1 1740727599 REAXPDQSVRVPPS-XMMPIXPASA-N 483.569 2.245 30 10 JEEE C=C(C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1740778520 IAIPVIHPWSZWFZ-UHFFFAOYSA-N 462.501 2.296 30 10 JEEE C=C(C)COCCn1c(Cc2c(F)cccc2F)nnc1N1CCCN(S(C)(=O)=O)CC1 1740792783 LXJWDCXTGOSUQV-UHFFFAOYSA-N 469.558 2.212 30 10 JEEE C=CCCOCCn1c(C2CCC2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1740885321 DHAIJTBMFMOEEF-UHFFFAOYSA-N 466.633 2.414 30 10 JEEE C=CCNC(=O)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1740952469 FNUJYSPYQMRWPQ-QGZVFWFLSA-N 486.623 2.303 30 10 JEEE C=CCOc1ccc(Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CC[C@@](C)(C(N)=O)C2)cc1 1740969017 SARKSWGWBWNIQR-VAXXYWNWSA-N 455.559 2.317 30 10 JEEE CC(C)(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1)c1cccc(F)c1 1741250950 CEDIJJPUPRNEJD-FQEVSTJZSA-N 490.605 2.468 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1ccc(NC(C)=O)nc1 1748664983 MDLAROJTUPDJFG-HNNXBMFYSA-N 456.510 2.052 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1oc2ccc(F)cc2c1C 1748672884 YFCYCWCWDJIMJF-VLIAUNLRSA-N 475.546 2.311 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCC(=O)NC1CCCCC1)[C@H]1CCS(=O)(=O)C1 1748808174 AOLSAJUSJPILFS-QFIPXVFZSA-N 494.621 2.282 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1OCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1748821056 LQLSCVIJPMGUHP-PZJWPPBQSA-N 483.594 2.171 30 10 JEEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(-n2ccnc2C)nc1 1748868357 VMRCKBJDUXUNNY-VWLOTQADSA-N 459.554 2.331 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN1CCC[C@H](C)C1 1748887192 XDOUZNBODREJMU-FQEVSTJZSA-N 467.643 2.433 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)N1CCc2ccccc21 1748891555 ABYCSJNMCCJLJK-PZJWPPBQSA-N 451.596 2.094 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1C[C@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 1748948654 UEBYEWJCGYEYTG-GOSISDBHSA-N 474.606 2.292 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@](C)(O)c2ccsc2)CC1 1748979212 XQPAGYAMKNAIML-GOTSBHOMSA-N 459.616 2.043 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC2CCCCC2)CC1 1749038509 KPQPKFJZMXSTHL-FQEVSTJZSA-N 465.689 2.249 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC[C@@H]1CCCCO1 1749159757 XXUFJUNXUXGQTL-RBUKOAKNSA-N 455.625 2.363 30 10 JEEE C=C(C)COCCn1c(-c2cccc(OC)c2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1749216136 KHIIYFNFPKMNHZ-DEOSSOPVSA-N 468.558 2.361 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCCC(C)(C)C1 1749655007 AJSKOIVFRQXBDP-UHFFFAOYSA-N 460.604 2.124 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 1749667293 XISWODVGAYFGSZ-SFHVURJKSA-N 457.897 2.408 30 10 JEEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1749677162 QBZFYAOWDMCDDG-UHFFFAOYSA-N 457.538 2.291 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@]1(C)CCCO1)[C@@H]1CCS(=O)(=O)C1 1760192937 ZVUQRJCKGIUIGX-XXBNENTESA-N 458.584 2.361 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1(S(C)(=O)=O)CCC1 1760214270 HVTKZCXGAQUXAI-UHFFFAOYSA-N 454.552 2.147 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cn(C)c3ccccc23)n1CCNS(=O)(=O)Cc1ccon1 1760217239 UWGZFNVNWHLGCJ-UHFFFAOYSA-N 491.577 2.007 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2CCc2c(C)noc2C)CC1 1760264461 PDRICJQUVZKKQN-UHFFFAOYSA-N 450.543 2.468 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCOc2ccccc2)CC1 1760265338 XPKKMKHVZNAQFN-UHFFFAOYSA-N 487.564 2.360 30 10 JEEE C=C(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1760345228 OPVYCGYNPGDVGJ-GOSISDBHSA-N 499.641 2.359 30 10 JEEE C=C(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1)c1ccccc1 1760362318 HDPFUPLPQWEYRH-WIYYLYMNSA-N 485.614 2.396 30 10 JEEE C=CCCOCCn1c(-c2ccc[nH]2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1760448953 VQSZKDSTOSLKFJ-SIKLNZKXSA-N 455.607 2.245 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1760515503 VZIDJISLHYKJNS-UHFFFAOYSA-N 456.510 2.268 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1760517627 SNBKKDLHNNPBTB-QGZVFWFLSA-N 469.546 2.287 30 10 JEEE C=CCSCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(C(C)=O)CC1 1760559753 KONKZYNHWZUBKR-UHFFFAOYSA-N 477.660 2.134 30 10 JEEE CC(C)NC(=O)Cn1c(CCCc2ccccc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1761261247 ABLZOBPTWUBTSK-HXUWFJFHSA-N 487.612 2.355 30 10 JEEE CNC(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCCCC2)C1 1769215635 DNZCVULVJRUJIA-FQEVSTJZSA-N 451.575 2.177 30 10 JEEE C=CCN(CC=C)C(=O)[C@@H]1CSCN1C(=O)[C@H]1CC(=O)N(c2ccc(C(=O)OCC)cc2)C1 1862183430 VQRLPKJAXRWIJA-ICSRJNTNSA-N 471.579 2.318 30 10 JEEE COCCc1nc(Nc2ccc(C#N)cc2)cc(N2CCN(C(=O)CCN3CCCC3)CC2)n1 1868267023 GAKLWEVLDLFODJ-UHFFFAOYSA-N 463.586 2.415 30 10 JEEE CC(C)C[C@@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O 1869928663 VSHWEMOGYBIWIR-QGZVFWFLSA-N 454.508 2.004 30 10 JEEE CCOC(=O)c1ccc(N2C[C@@H](C(=O)Nc3c(C#N)nnn3-c3ccc(OC)cc3)CC2=O)cc1 1870150896 JNLBXQDVBXQWGS-INIZCTEOSA-N 474.477 2.316 30 10 JEEE Cn1ccnc1SCc1cc(=O)c(OCC(=O)Nc2sc3c(c2C#N)CCC3)cn1CCO 1870223851 OOGMAZBFQAJPHF-UHFFFAOYSA-N 485.591 2.306 30 10 JEEE CCCCCCCCN=c1nc(N(CC)CCO)[nH]c(=Nc2ccc3c(c2)C(=O)N(C)C3=O)[nH]1 1871632708 RIEIKHZIPDLBIO-UHFFFAOYSA-N 469.590 2.276 30 10 JEEE COc1ccc2c(c1)c(/C=N/n1cnnc1SCC(=O)NCc1ccco1)c(C(=O)O)n2C 1873504655 GFXPSPBFBPYLSP-YSURURNPSA-N 468.495 2.360 30 10 JEEE CCCNC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1cccc([N+](=O)[O-])c1 1874336815 DMIHVKPQJOHQPJ-BRUSPLQXSA-N 473.559 2.411 30 10 JEEE CN1CCN(CC#CCOC2CCN(S(=O)(=O)c3ccc(F)cc3Br)CC2)CC1 1890466566 HITMHGJOQNDHFK-UHFFFAOYSA-N 488.423 2.009 30 10 JEEE N#Cc1ncccc1OC1CN(C(=O)C2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)C1 1891867441 DRKYJNFDONCTQQ-UHFFFAOYSA-N 466.972 2.359 30 10 JEEE CC(=O)N1CCN(C(=O)c2ccc(C(=O)N3CCC(COc4ncccc4C#N)CC3)cc2)CC1 1891915015 IPIFNXZNVMKFDQ-UHFFFAOYSA-N 475.549 2.189 30 10 JEEE C=CCNC(=O)[C@H](C)S(=O)(=O)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 2019021001 RZDKJPBFYRLGAX-BTYIYWSLSA-N 486.546 2.084 30 10 JEEE Cc1cc(C(N)=NO)c(-n2c(C)nc(I)c2I)nc1C 2155370904 RIYCYARCLLITLK-UHFFFAOYSA-N 497.078 2.496 30 10 JEEE CC1(C)OB(c2ccc3c(c2)CN(S(=O)(=O)N2CC(OCc4ccccc4)C2)C3)OC1(C)C 2161951535 PJHKNZQTQUMOJN-UHFFFAOYSA-N 470.400 2.447 30 10 JEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(S(N)(=O)=O)cc1Br 2181129149 FUYIPBSIBXTPGX-CQSZACIVSA-N 460.350 2.342 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2CO)C1 2255200444 HSPFDTDILHJNOC-IHSWXRNOSA-N 451.564 2.027 30 10 JEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H](O)CNC(=O)OC(C)(C)C)c1C 2255631389 YCSWRQJPTSFDLP-AWEZNQCLSA-N 454.398 2.280 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@H](NC(=O)c2csc(B3OC(C)(C)C(C)(C)O3)c2)C1 2255704549 JJFSWIOMQLNJCH-OAHLLOKOSA-N 452.382 2.413 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)c2csc(B3OC(C)(C)C(C)(C)O3)c2)CCO1 2255708048 FEBWBNRNRYFSIE-OAHLLOKOSA-N 452.382 2.413 30 10 JEEE Cc1cc(S(=O)(=O)N[C@H](C)CNC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2255739430 KBTLIJJFPCKGLP-OAHLLOKOSA-N 454.398 2.486 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)s1 2255852593 GJBUUJIMGJYUKQ-LSDHHAIUSA-N 452.382 2.066 30 10 JEEE CC1(C)OB(c2nscc2C(=O)N2C[C@H]3CC[C@H]2[C@@H](NC(=O)C(F)(F)F)C3)OC1(C)C 2267145972 HTXIXIUMUMYUBZ-DRZSPHRISA-N 459.299 2.114 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)CO1 2267289742 UIVSSISRFZPLPW-HUUCEWRRSA-N 450.341 2.238 30 10 JEEE CC(C)(C)OC(=O)N[C@]1(CNS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)CCOC1 2267368848 PAEDZVWYNVIMAW-FQEVSTJZSA-N 488.437 2.009 30 10 JEEE C[C@@H]1[C@@H](NS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CCN1Cc1ccccc1 2267380093 YJYLBJMFOTXUNL-UTKZUKDTSA-N 457.405 2.322 30 10 JEEE CO[C@H]1C[C@@H](CNC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)N(C(=O)OC(C)(C)C)C1 2267536763 MADCARVHWLOZTC-KBPBESRZSA-N 467.397 2.197 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2csc(B3OC(C)(C)C(C)(C)O3)c2)CC[C@@H]1CO 2267552967 KOOQTIIYEITKDP-GDBMZVCRSA-N 466.409 2.395 30 10 JEEE COCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2268636312 BPKPACXJEBBABQ-CQSZACIVSA-N 469.413 2.378 30 10 JEEE COC(=O)[C@H](CC(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)s1)NC(=O)OC(C)(C)C 2268667077 SUVHUUQDIDPPDV-AWEZNQCLSA-N 468.381 2.120 30 10 JEEE C[C@H](NC(=O)C1(N(C)C(=O)OC(C)(C)C)COC1)c1nscc1B1OC(C)(C)C(C)(C)O1 2268716262 CXPMUQNWJNRYSV-ZDUSSCGKSA-N 467.397 2.255 30 10 JEEE COCC[C@H](CNC(=O)c1ncc(C)cc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2281953498 LGVWAHDPLBWJDD-MRXNPFEDSA-N 463.384 2.349 30 10 JEEE C[C@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)C[C@@H](C)N(C(=O)OC(C)(C)C)C1 2281977081 KHISOVZFHAWHSM-JKSUJKDBSA-N 462.400 2.437 30 10 JEEE Cn1cc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C2CC2)nc1B1OC(C)(C)C(C)(C)O1 2282036883 ORKJPTFOAHMHNC-WBVHZDCISA-N 460.384 2.237 30 10 JEEE Cn1cc(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 2282042036 FAHGCRQALSAPLJ-JKSUJKDBSA-N 460.384 2.048 30 10 JEEE CCc1nc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H](O)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2282525061 ILFWCVJYGYFYGP-AWEZNQCLSA-N 481.424 2.059 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)CC12CC2 2282525292 PGOYKFVJVPZTPN-MRXNPFEDSA-N 460.384 2.239 30 10 JEEE Cc1c(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2F)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282542358 IGUDACRYBMLMSA-GJZGRUSLSA-N 466.363 2.105 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C3(CCC3)C2)n1 2282543155 NKTSCCOUJUXJHF-HNNXBMFYSA-N 460.384 2.381 30 10 JEEE Cc1c(C(=O)N2C[C@H](C)C[C@@H](NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282592287 AXYUHAMULQBJII-GDBMZVCRSA-N 462.400 2.403 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](O)CN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2Cl)C1 2282607248 VTOQRMGRDVGEIO-CABCVRRESA-N 481.786 2.134 30 10 JEEE CC[C@]1(NC(=O)OC(C)(C)C)CCCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)C1 2282684893 XJWSAZXTNDDRJN-QFIPXVFZSA-N 463.388 2.024 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](Cc1ncns1)C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2284060740 QWWDLTHXVDQBMH-ZDUSSCGKSA-N 475.380 2.307 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@]2(C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C1 2284062744 IFHMEFIBCBOXOO-RCDICMHDSA-N 479.408 2.085 30 10 JEEE COc1ccc(N2C[C@H](c3nnc(SCCO)n3N=Cc3ccc(O)cc3)CC2=O)cc1 2325882476 CRISGWWQEGQIHA-MRXNPFEDSA-N 453.524 2.479 30 10 JEEE COc1ccc(C=NNc2nc3c(c(O)nc(=O)n3C)n2C[C@H](O)COc2cccc(C)c2)cc1 2327753934 OGKOFZRAAFZLCK-KRWDZBQOSA-N 478.509 2.039 30 10 JEEE CCOc1ccc(C=Nn2c(CNC(C)=O)nnc2SCC(=O)N(CC)CC)cc1OC 2330710815 OBONBIKVTJCLPP-UHFFFAOYSA-N 462.576 2.164 30 10 JEEE Cn1nc(C(=O)NC[C@H](NC(=O)OC(C)(C)C)C(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2336902724 FJSXGGCCIZNSOL-HNNXBMFYSA-N 450.389 2.389 30 10 JEEE COc1ccc(NC(=O)[C@H](CO)CNC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2339739728 WQHVHYPCZWOJJV-AWEZNQCLSA-N 450.341 2.066 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2C[C@H]1C[C@@H]2NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2359318855 BFVLIUKQFZEVAL-YHUYYLMFSA-N 458.368 2.197 30 10 JEEE CC(C)(C)OC(=O)N1CC(F)(F)[C@](C)(NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2361662705 NHIKCDCXTFPDQP-HXUWFJFHSA-N 468.310 2.150 30 10 JEEE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1N(C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2362352053 BEXBUDIFWVEQOY-CVEARBPZSA-N 462.400 2.437 30 10 JEEE CCOc1cc(/C=N/Nc2nnc(SCC(=O)Nc3cc(OC)cc(OC)c3)n2N)ccc1O 21326590 GHYPTHHUJCCTGX-FOKLQQMPSA-N 487.542 2.290 30 10 JEEE CN1C(=O)COc2ccc(C(=O)C[S@](=O)CC(=O)Nc3sc4c(c3C#N)CCCC4)cc21 586346020 GMUKJGWRQCDRNB-YTTGMZPUSA-N 471.560 2.424 30 10 JEEE CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)/C(=C(/C)NC3CCN(C(C)=O)CC3)C(=O)[C@]12C 1075997240 FKOADMMRXFQXGU-ZICVCWAASA-N 468.506 2.169 30 10 JEEE COc1ccc(O)c(C=NNc2nc(SCC(=O)NC3CC(C)(C)NC(C)(C)C3)n[nH]2)c1 1084110560 JDGPSPSLWXNXSX-UHFFFAOYSA-N 461.592 2.482 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CCN(CC(=O)N3CCN([C@H](C#N)c4ccc(F)cc4)CC3)[C@@H]2C1 1195102838 AEZGDWZVTMUYCO-KSEOMHKRSA-N 471.577 2.476 30 10 JEEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N(C)C1CCN(CCn2cccn2)CC1 1286312136 RNDTZIBKDQKAMY-UHFFFAOYSA-N 452.607 2.115 30 10 JEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cc(C)ccc1F 1286322209 DKJNEOLYRUFEDL-FQEVSTJZSA-N 463.579 2.498 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@](C)(O)[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1286391816 JFJJYSCINIRUTE-MDKPJZGXSA-N 450.630 2.354 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1Cc1cccc(S(=O)(=O)NC)c1 1286463710 RWVVSXSMGWNFMU-UHFFFAOYSA-N 474.974 2.036 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2CC(C)(C)C(=O)NC)CC1 1286471717 NDEAFFWGWCRXTC-IBGZPJMESA-N 468.602 2.344 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2CC2(N(C)C)CCCC2)CC1 1286483893 CKXWGTBEMUFAJP-UHFFFAOYSA-N 452.603 2.495 30 10 JEEE C#CCN1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CCS(C)(=O)=O)CC1 1286485015 AHMMKODXTLDXJZ-UHFFFAOYSA-N 454.021 2.024 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](CC)c3ccccc3)n2CCC(=O)N(C)C)CC1 1286488275 MESALNYXLIMIGD-OAQYLSRUSA-N 450.587 2.264 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2C[C@@H](C)CN2CCOCC2)CC1 1286489005 BINGPLMCCITMEE-FQEVSTJZSA-N 464.614 2.188 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2nc(C(C)C)cs2)CC1 1286490461 LVDDQQBEMQYCAE-UHFFFAOYSA-N 450.572 2.329 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CC2C[C@H](C)O[C@@H](C)C2)CC1 1286491227 JJIATKBIVXMNAE-OALUTQOASA-N 450.587 2.433 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1286757040 DLFGGCOKPIRFBD-GBESFXJTSA-N 451.637 2.246 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@H]2CCCOC2)C1 1286805954 VUKCFVVYRIQTCC-AZUAARDMSA-N 475.615 2.403 30 10 JEEE C=CCSCCn1c(N2CCC(S(C)(=O)=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1286835269 QZDWTZGMICLQKS-FQEVSTJZSA-N 458.650 2.251 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@](C)(OC)C2CC2)c1 1300333232 YTOGAQFJKROMJV-YADARESESA-N 450.543 2.101 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCc1cc(C)ccc1OC)[C@@H]1CCS(=O)(=O)C1 1300497328 YIDRIKSOJMKLNO-LEWJYISDSA-N 472.611 2.359 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@@H]1CCCS1)[C@@H]1CCS(=O)(=O)C1 1300498919 OCICLBKHNPERTF-MOPGFXCFSA-N 460.625 2.400 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCOc1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 1300505763 IROJQJBEBKOXGB-IEBWSBKVSA-N 464.975 2.489 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCOc2ncccc2F)CC1 1300689537 YDVZAGZJSRYQLA-UHFFFAOYSA-N 466.517 2.331 30 10 JEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](OCc2cccc(OC)c2)C1 1300755978 BNYIWPFISSGXLJ-VQTJNVASSA-N 455.584 2.400 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CCC(NS(C)(=O)=O)CC1 1300869134 JWMOALKPKXTVAU-GHTZIAJQSA-N 475.615 2.453 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2cccc(C)c2C)CC1 1300951933 AYMJBACLWQOISA-NRFANRHFSA-N 474.631 2.131 30 10 JEEE C=C(C)COCCn1c(-c2cc(Br)cn2C)nnc1N1CCN(C)C(=O)[C@H]1C 1300974036 BLBSDEPAGBRCFY-CQSZACIVSA-N 451.369 2.306 30 10 JEEE C=CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1301295202 VWQJGCIHZQAWLN-MSOLQXFVSA-N 482.651 2.296 30 10 JEEE COCC[C@](C)(O)Cn1c(COc2ccccc2F)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1301461643 BMPPTBAMPCYWCN-VWLOTQADSA-N 495.559 2.377 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCCN(C(=O)c2ccccc2F)CC1 1301505714 AHTGDMLMYWDPAY-UHFFFAOYSA-N 477.544 2.058 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 1301588181 CLWDMSFPGPYIDA-UHFFFAOYSA-N 465.580 2.414 30 10 JEEE N#C[C@@H]1CN(c2nnc(CSc3ccc(Cl)cc3)n2CCC(=O)N2CCOCC2)CCO1 1303008879 BSBIYHIWEPDPDS-QGZVFWFLSA-N 476.990 2.201 30 10 JEEE CCN(C)C(=O)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CC[C@](F)(C#N)C1 1313551454 AOGZSRHJTFDLNN-QHCPKHFHSA-N 466.521 2.156 30 10 JEEE N#C[C@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2nccn2C(F)F)CCO1 1316534999 ARUQWJSKKYKTJR-NSHDSACASA-N 453.251 2.404 30 10 JEEE CS(=O)(=O)N=C1C=CC(=C(O)/C(=C(/S)NCC(F)(F)F)[n+]2cccc(CO)c2)C=C1 1318305224 AMQMOKZUVCELST-UHFFFAOYSA-O 462.495 2.013 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1358890979 XYHAKGVXKSAVHC-QZWWFDLISA-N 477.553 2.438 30 10 JEEE C#CCN(c1nnc(-c2ccc(Br)cc2)n1C[C@@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1358958786 WAIHERAQGPOUDL-XLIONFOSSA-N 481.416 2.495 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccc(N(CC)CC)nc1)[C@H]1CCS(=O)(=O)C1 1358968070 YSHDHWHRJWSYAG-VQTJNVASSA-N 472.615 2.046 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1359090073 UKRVPYACLFUGNB-ZCNNSNEGSA-N 458.607 2.140 30 10 JEEE C=CC1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCNC(=O)c2cc[nH]n2)CC1 1359172951 OSSFESAGEZOPTF-UHFFFAOYSA-N 482.976 2.417 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CC(F)(F)C2(OC)CCOCC2)C1 1359324468 LQBRVIZYJOYPOK-KRWDZBQOSA-N 469.533 2.013 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(-n2ccnc2)c(F)c1 1359473607 FGRMNZSLDDTCNX-NVXWUHKLSA-N 457.535 2.149 30 10 JEEE COc1ccc(S(=O)(=O)N2CCC(NC(=O)c3ccccc3OCC#N)CC2)cc1OC 1435229044 BUHGHYFBULFQSL-UHFFFAOYSA-N 459.524 2.189 30 10 JEEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(C(=O)NCCN3CCCC3)cc2)cc1 1443935439 LZKIZPFZLIEMJF-UHFFFAOYSA-N 456.568 2.229 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@H](C)CN1CCOCC1 1507522356 VHGRMTHSLBWMDZ-ROUUACIJSA-N 457.575 2.397 30 10 JEEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(Cl)nc1)[C@@H]1CCS(=O)(=O)C1 1507624815 DRYAXYPWGXKBRN-XMSQKQJNSA-N 494.017 2.042 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@@H]1CCCOC1)[C@@H]1CCS(=O)(=O)C1 1507639964 NQGFCRDPKYXPKI-VQTJNVASSA-N 458.584 2.219 30 10 JEEE C=C(Br)Cn1c(COc2ccc(F)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1507791262 VXIXUSWEQPNLAS-INIZCTEOSA-N 493.337 2.378 30 10 JEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 1507835537 DSHYWCVXECUDIU-KRWDZBQOSA-N 459.551 2.191 30 10 JEEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N1CCC(S(=O)(=O)CC)CC1 1507843749 SSZZEUJUMUVXNI-UHFFFAOYSA-N 465.576 2.002 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 1508138032 UYCJDMDAXPZEQG-UHFFFAOYSA-N 486.642 2.416 30 10 JEEE CC(=O)N1CCN([C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCCOC(F)F)C[C@H]2C)CC1 1508273148 OPCMPIYLTXMBDJ-UTKZUKDTSA-N 487.555 2.435 30 10 JEEE CC(=O)N[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCc2cnn(C)c2)C1 1508326065 AOWHJYMPYBXJPY-NRFANRHFSA-N 462.558 2.200 30 10 JEEE CC(C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@@H](N1CCOCC1)C(F)(F)F 1508999450 BDZUPLLAJIBIIN-SJLPKXTDSA-N 493.538 2.041 30 10 JEEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCN2S(C)(=O)=O)CC(C)(C)O1 1512403561 FURXPJXOLGQSCF-QFBILLFUSA-N 458.588 2.244 30 10 JEEE CN(CC(C)(C)CN1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1CCNC(=O)C1CC1 1517087650 HYUCUMCYYORJKU-UHFFFAOYSA-N 465.602 2.138 30 10 JEEE C#CCn1ccc(CN(CCOC)C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)n1 1538916580 GPPBBLKKPHVIOT-OAQYLSRUSA-N 453.499 2.013 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1CC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1539204135 ZCJHKCMXMDVYJZ-MSOLQXFVSA-N 476.599 2.214 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1cccn(CC)c1=O 1539232811 PTXLXMKRMHKLJV-UHFFFAOYSA-N 462.941 2.164 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1(O)CCN(C(C)C)CC1 1539232975 WJCJIMUFFAVCCK-UHFFFAOYSA-N 483.016 2.170 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2ccccn2)n1C[C@@H]1C[C@@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1539272220 VJKVNRAUPJOSFE-HJNYFJLDSA-N 476.581 2.361 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2CCOCCN(C)C)CC1 1539436683 YWHACKKEUFFCRM-UHFFFAOYSA-N 491.434 2.050 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3F)n2Cc2cnn(C)c2)CC1 1539474294 NJULQMYBFBCSRD-UHFFFAOYSA-N 455.925 2.485 30 10 JEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 1539509953 BCMMUIRISXYROF-YJBOKZPZSA-N 461.613 2.197 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1nnc2n1CCC2 1540853265 UOBYGYGBDWSYMD-CALCHBBNSA-N 472.594 2.274 30 10 JEEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cnn2c1S(=O)(=O)N(C)CC2 1546226535 RAWYDHMCUZNXNP-UHFFFAOYSA-N 457.325 2.247 30 10 JEEE COCCNC(=O)[C@H]1CN(C(C)=O)CC12CCN(c1ccc(C#N)c(C(F)(F)F)c1)CC2 1548376270 WGQAORBHDBHGBJ-LJQANCHMSA-N 452.477 2.405 30 10 JEEE C#CCN(CC(=O)NCc1cccc(N2C(=O)N[C@](C)(C3CC3)C2=O)c1)C(=O)OC(C)(C)C 1556574362 GHXBAJJXYNPSAT-XMMPIXPASA-N 454.527 2.398 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2Cc2nccn2C(F)F)c1 1587683220 FHHGPAQUUIMACF-UHFFFAOYSA-N 482.495 2.210 30 10 JEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C1CCN(C(=O)c2ccccc2)CC1 1587808963 XDHRIHZYSVDTPQ-GOSISDBHSA-N 472.615 2.043 30 10 JEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CC[C@@H](OCC)C1CCCC1)[C@H]1CCS(=O)(=O)C1 1588024623 IAQNAZOZUCPFBL-LEWJYISDSA-N 491.658 2.126 30 10 JEEE C#CCN(c1nnc(CC)n1Cc1ccc(C(=O)N2CCCCC2)cc1)[C@@H]1CCS(=O)(=O)C1 1588058833 DFCROIAQFXMCGL-OAQYLSRUSA-N 469.611 2.142 30 10 JEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(N2CCc3ccccc32)CC1 1588985045 NQEBNIVTSHGADB-SFHVURJKSA-N 488.683 2.286 30 10 JEEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1589053314 NAWXBFQYIPEWTC-OALUTQOASA-N 456.616 2.382 30 10 JEEE C=C(Br)Cn1c(COc2ccccc2F)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1589449539 ILAGDXQKWCUVDO-UHFFFAOYSA-N 493.337 2.425 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)CCC(=O)NC 1589529878 PTPDNUPOSZEDRV-CTNGQTDRSA-N 468.606 2.006 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCN(c3ccc(C(N)=O)cn3)CC2)nnc1C(C)(C)C 1589578062 FLUSVYHCFNSTEX-QUCCMNQESA-N 453.591 2.377 30 10 JEEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)CCOCC 1595545217 RTOSYVODWQQBQA-UHFFFAOYSA-N 450.584 2.168 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2cccc(C)c2C)CC1 1595607188 BJNPYFPJDJZOEZ-REWPJTCUSA-N 468.602 2.248 30 10 JEEE Cc1ccc(C)c(OCc2nnc(N3CCC(C#N)CC3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)c1 1611998102 GAFRWAHSPLFVFU-HXUWFJFHSA-N 472.615 2.495 30 10 JEEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1CCn1cc(Br)cn1 1618535211 IDLKIMUBJOSMPR-AWEZNQCLSA-N 471.363 2.294 30 10 JEEE COc1ccccc1C1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)CC1 1619379266 BVKGVSHXCDMECR-BTYIYWSLSA-N 462.551 2.071 30 10 JEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@](C)(CO)c1cccc(C(F)(F)F)c1 1640840702 CKIYHGOXNFSIIU-YJYMSZOUSA-N 455.458 2.268 30 10 JEEE C=CCC1(O)CCN(C(=O)[C@H](NS(=O)(=O)c2ccc3c(c2)OCCCO3)C(C)C)CC1 1644942775 JVMYRLQYGUFEJL-HXUWFJFHSA-N 452.573 2.080 30 10 JEEE N#Cc1ccc(N2CCN(C(=O)N[C@H]3CC(=O)N(CCOc4ccccc4)C3)CC2)c(F)c1 1679280467 AJFKFBIDHGHQGW-IBGZPJMESA-N 451.502 2.209 30 10 JEEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1689916546 MSDGKDFBCXFYQY-QGZVFWFLSA-N 462.572 2.398 30 10 JEEE C#CCCCn1c(N2CCN(C3CCN(C(C)C)CC3)CC2)nnc1[C@]1(OCC)CCOC1 1689940706 AVSVQHKPWWRZCS-VWLOTQADSA-N 458.651 2.338 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(C)nc3ccccc23)n1CCCNS(C)(=O)=O 1690034333 DLDVGCYPIOKHNC-UHFFFAOYSA-N 450.568 2.204 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCc2ccc(OC)c(OC(F)F)c2)CC1 1690110257 DTGTZBDQKHDEJX-UHFFFAOYSA-N 476.528 2.024 30 10 JEEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N(C)CC(C)(C)CN1CCOCC1 1690218385 DQIVTIBBXNQDQW-UHFFFAOYSA-N 457.417 2.120 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCCS(=O)(=O)C1 1690262691 JTVWRQXJBADOFB-QGZVFWFLSA-N 480.660 2.465 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ncc(CC)s1 1690345857 FPBLQFURJSBFOT-AWEZNQCLSA-N 461.013 2.019 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1690432914 OGKFXJPDPJCPCU-OALUTQOASA-N 462.620 2.193 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)N1CCC[C@H](C)C1)C1CC1 1690545648 VYDRCSDWJWWNGG-ICSRJNTNSA-N 480.679 2.276 30 10 JEEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1690632799 QKYMURHIWOLPNV-GOSISDBHSA-N 486.642 2.104 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H](C)C[C@H]1CC 1690662614 BMMYDTQDOXRWFL-FUHWJXTLSA-N 460.604 2.122 30 10 JEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2cccc(F)c2F)CC1 1690675231 SWMSAQXKEGFZSF-UHFFFAOYSA-N 470.528 2.047 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CC=C(COC)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1690731317 HXECEOLKYNUTJP-KDURUIRLSA-N 495.646 2.433 30 10 JEEE Cc1ccccc1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(C#N)C1 1693266883 FHIMTRYUZOQAOF-OFNKIYASSA-N 472.615 2.292 30 10 JEEE CCC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1)OC 1695094026 BIGQTLNWWKBLBJ-YADHBBJMSA-N 465.602 2.375 30 10 JEEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2ccc(OCC(F)(F)F)nc2)CCOC1 1696083740 ARQHBGKJHYPWNA-OXJNMPFZSA-N 482.463 2.043 30 10 JEEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCN1CCCC[C@H]1CC 1696336205 DZRBGNQRCXYRGG-WOJBJXKFSA-N 467.622 2.456 30 10 JEEE C#CCN(c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCCCCO)[C@H]1CCS(=O)(=O)C1 1705561379 PMQJBFASNJDBEQ-IBGZPJMESA-N 468.583 2.125 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@H](C)Oc1ccccc1OC)[C@H]1CCS(=O)(=O)C1 1705563650 BPOJNEXDCXXKJQ-OALUTQOASA-N 483.594 2.386 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1CCCc1ccc(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1705567156 VDKIHBMTVPHYDJ-LJQANCHMSA-N 496.593 2.012 30 10 JEEE C#CCN(CC)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1705607548 HVVMFLICBKKSGV-LEWJYISDSA-N 452.584 2.480 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccc(COC)cc2)CC1 1705645433 UIILLZSTQYGYLC-SANMLTNESA-N 481.597 2.091 30 10 JEEE C=C(C)Cn1c(N2CCN(c3c(C#N)c(C)nn3C)CC2)nnc1[C@]1(OC(C)C)CCOC1 1705728192 BGXRZLWSDMNXBO-QHCPKHFHSA-N 454.579 2.135 30 10 JEEE C=C(C)COCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1705732086 MVQULFRAEDORRX-UHFFFAOYSA-N 497.581 2.049 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1=CCCOC1 1705865555 ZURUALBYBSCCLS-NRFANRHFSA-N 491.589 2.289 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](c2ccccc2Cl)C1 1705894925 OFTCPWIRWNWSNN-GOSISDBHSA-N 458.950 2.048 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](c2cnn(C)c2)C1 1705912263 FBCXKDMGFHYQKM-ROUUACIJSA-N 485.614 2.229 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@]2(OC)CCOC2)C1 1705924737 GCGRKXZBYFLZFM-KHCICDEESA-N 493.605 2.173 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)CC1COC(C)(C)OC1 1705932331 BMGBTWCVVUDOCF-UHFFFAOYSA-N 459.572 2.253 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)ccc2C)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1705938095 MPJXGXSGIDVJRA-HYBUGGRVSA-N 490.626 2.459 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)ccc2C)nnc1N1CCN(c2cnccn2)CC1 1705938237 RSTWUCXYYJNEKD-UHFFFAOYSA-N 497.625 2.191 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2OC)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1705938267 SVHZELMOAFBSSW-OALUTQOASA-N 476.599 2.472 30 10 JEEE CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(c2nc(C)no2)CC1 1709850232 IDQOIVWHHDYUTI-UHFFFAOYSA-N 464.530 2.330 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCC(=O)N1CCOCC1 1722395176 SONNRPIIGJBHHW-UHFFFAOYSA-N 457.538 2.047 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cn2ccsc2n1 1722417640 OASDORUXRDUAFQ-HNNXBMFYSA-N 487.586 2.425 30 10 JEEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1ccc(OC(F)(F)F)cc1 1722427862 SCOOYHPLSOLHMT-UHFFFAOYSA-N 451.449 2.433 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@H]1CCCS(=O)(=O)C1 1722430787 JKRYRBIPRHFFPH-SFHVURJKSA-N 482.610 2.349 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1722475622 WHGRZRNDNWNGEK-HYFFOGBASA-N 465.620 2.428 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H](C)N1CCCCC1 1722516632 CBLMHIAROZZUDY-UXHICEINSA-N 468.668 2.278 30 10 JEEE C=CCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)Nc2ccccc2CC)CC1 1722682232 XYXFLFDWVDVZPJ-UHFFFAOYSA-N 451.575 2.023 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 1722729854 YZKGTLOKAYDEJD-UHFFFAOYSA-N 486.642 2.236 30 10 JEEE C=CCSCCn1c(N2CCC[C@H](N3CCCS3(=O)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1722740793 YTRBGHOOVWVYSV-UGKGYDQZSA-N 499.703 2.242 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H](C(C)C)N1CCOCC1 1740540307 VHYPRRUNFMMRCK-KNQAVFIVSA-N 488.658 2.010 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(OCC)c(OC)c1 1740782215 HFVLOQKRLHPZLY-HXUWFJFHSA-N 479.603 2.231 30 10 JEEE C=CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1740857045 BAYBDZCCEMOTGW-HXUWFJFHSA-N 459.639 2.296 30 10 JEEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 1740873603 CNMMZACYACDCFP-LJQANCHMSA-N 458.588 2.096 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@H]2CCC[C@H]21 1740953801 RGLPLFYTVTZWLX-YLJYHZDGSA-N 472.615 2.267 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1740960972 IBVOQGMIUGTLBX-QHCPKHFHSA-N 465.646 2.084 30 10 JEEE C=CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1740998476 NDAWCQLHUMCPAJ-UHFFFAOYSA-N 456.572 2.394 30 10 JEEE CCN(CCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](N2CCCC2=O)C1)S(C)(=O)=O 1746309015 CYPQXFDGSVJIDI-NRFANRHFSA-N 499.641 2.080 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2CCCCN2CCOCC2)c1 1748691656 IWJNDAPPENLBQC-UHFFFAOYSA-N 475.597 2.452 30 10 JEEE C#CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)COC)CC1 1748731089 TZHQHMRVGMZNOA-IBGZPJMESA-N 474.606 2.449 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)o2)n1Cc1cccnc1OCC)[C@@H]1CCS(=O)(=O)C1 1748809839 WPWRQHWRAGRYBH-GOSISDBHSA-N 455.540 2.315 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCCCN1C[C@H](C)C[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1748811165 CNEQVRKWHHWMOY-SJBKTWHCSA-N 487.674 2.063 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC[S@](=O)C(C)(C)C 1748913885 APBSYYDWUSFZQH-PMERELPUSA-N 465.645 2.202 30 10 JEEE COc1cccc(O[C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@](C)(C#N)C2)c1 1748964797 AIBVKJFZTOTPOD-DRSNIGMVSA-N 476.603 2.494 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnccn3)n2CC(F)(F)Br)n1 1748970991 ZJQBOQLINUMDOS-UHFFFAOYSA-N 481.305 2.206 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@H](C)N2CCOCC2)CC1 1748978993 SQSAKSIOROUUHW-KRWDZBQOSA-N 491.409 2.323 30 10 JEEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1749024384 OZAQDMZGYYVAND-GOSISDBHSA-N 475.640 2.210 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(CN2CCCC2=O)cc1 1749053822 MOCAFHKDOZEFCY-MHECFPHRSA-N 484.626 2.051 30 10 JEEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](C(=O)NCCCC)C1 1749083966 SPGVWXQGTVAQBW-HNNXBMFYSA-N 455.401 2.458 30 10 JEEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N(CCO)CCOCC(F)(F)F 1749102160 JWPFTWJIKYOADL-ZDUSSCGKSA-N 457.291 2.458 30 10 JEEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1749115910 XENMFMJCMIURHO-RDBSUJKOSA-N 496.328 2.416 30 10 JEEE C=C(C)COCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1749239043 GZPXZMOOFBZAKK-QFIPXVFZSA-N 480.569 2.149 30 10 JEEE C=CC1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccccc2S(=O)(=O)N(C)C)CC1 1749322829 KAZMGBPIOHAKAO-UHFFFAOYSA-N 472.615 2.215 30 10 JEEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1749387038 RFTSRABOGWNWEN-FQEVSTJZSA-N 457.623 2.003 30 10 JEEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1749408258 HCVKYAGCXHTTAL-TZIWHRDSSA-N 480.617 2.271 30 10 JEEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1749450545 LCGBZPOVVRSQMC-UHFFFAOYSA-N 465.480 2.478 30 10 JEEE C=CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H]1CCCCS1(=O)=O 1749600820 PPZCAUJGQHAUOA-IBGZPJMESA-N 458.588 2.123 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CCN(c3ccccc3F)C2)C1 1749699053 YYVRACDKQDBFEG-GUDVDZBRSA-N 492.621 2.335 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CCO[C@H](C(F)(F)F)C1 1749740118 QIPCZIUWIFUEBA-INIZCTEOSA-N 478.468 2.365 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1CC(C)(C)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1760184675 KUQQNWWMGZFZCS-KRWDZBQOSA-N 490.630 2.214 30 10 JEEE C#CCN(c1nnc(-c2nnc(O)c3ccccc23)n1CCSC(C)C)[C@H]1CCS(=O)(=O)C1 1760186966 BNZJLTDDOYWDHL-INIZCTEOSA-N 486.623 2.362 30 10 JEEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1CCCc1nc(C)no1)[C@@H]1CCS(=O)(=O)C1 1760191339 FSRSFSYSJYZYKL-HXUWFJFHSA-N 498.609 2.425 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC[S@](=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1760192982 QJNKQBKNEDDIKF-QZGZNOCVSA-N 498.715 2.371 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCc2cc(OC)ccc21 1760206376 XZBOURAHSAUOQW-UXHICEINSA-N 452.580 2.382 30 10 JEEE C#CCN1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2Cc2cnn(CC)c2)CC1 1760259845 QOLRYGHBRYYJKT-UHFFFAOYSA-N 482.633 2.413 30 10 JEEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 1760284512 NZJYGDOGZQCCMY-HSZRJFAPSA-N 462.623 2.486 30 10 JEEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCN([C@@H](C)c2nc(CC)no2)CC1 1760284537 OIICFAQRUVYDMO-SFHVURJKSA-N 466.615 2.459 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1CC[C@H](C(F)F)N1CCOCC1 1760290748 OPJPBILEMQCTNN-YSZBQJHXSA-N 467.561 2.278 30 10 JEEE C=CC1CCN(c2nnc(Cc3ccccc3OC)n2CCN2CCN(C(C)=O)CC2)CC1 1760403014 CKVPXTWRFQDHNA-UHFFFAOYSA-N 452.603 2.444 30 10 JEEE C=CCOc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CCC(CNC(C)=O)CC2)cc1 1760531052 BEQHYASLEDMZJE-UHFFFAOYSA-N 466.586 2.366 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1760552959 HGJHBSBIQAPLKM-MRXNPFEDSA-N 466.995 2.089 30 10 JEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2ccc(C)cc2)CC1 1760565641 BNKWXIFAWRNJKT-HXUWFJFHSA-N 489.667 2.370 30 10 JEEE CC(C)(C)C(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1760717632 FVQAVIGMUTUFDH-HXUWFJFHSA-N 493.612 2.482 30 10 JEEE CC(C)(C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(S(C)(=O)=O)CC1 1760771650 HCUDONKKGBEDIH-UHFFFAOYSA-N 458.588 2.135 30 10 JEEE CCC[C@](C)(O)Cn1c(Cc2cccnc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1765458421 DAMUOXQREPLPKV-KOSHJBKYSA-N 461.574 2.192 30 10 JEEE CCS(=O)(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2([S@](C)=O)CC2)CC1 1766635389 FMSNIMDVBJXVRK-PMERELPUSA-N 461.613 2.131 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCC=CO1 1771100122 GZNBRMLMSVBJKE-LEWJYISDSA-N 471.583 2.398 30 10 JEEE C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)C(=O)[C@@]1(O)COP(=O)(O)O 1848440274 UMDXSWFTRAIQMC-GIZUVNIVSA-N 472.446 2.013 30 10 JEEE in-vitro C=CCn1cc(OCC(=O)Nc2ccccc2OC)c(=O)cc1CN(CCOC)CCOC 1870746728 BJEMXIGFPHGUEK-UHFFFAOYSA-N 459.543 2.155 30 10 JEEE CC(C)(C)N1C[C@@H](c2nnc(SCC(N)=O)n2/N=C/c2cc(Cl)ccc2O)CC1=O 1874274025 OEWAJOAZUHFONN-WHQXGRPESA-N 450.952 2.211 30 10 JEEE COc1ccc(OC)c(-c2ccc(=O)n(CC(=O)N3CCC(Oc4ncccc4C#N)CC3)n2)c1 1891558565 ATTYZGPUJQDKAO-UHFFFAOYSA-N 475.505 2.264 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@](O)(CC(=O)NCc2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2180970733 QUGWWTFMKPVCQS-DEOSSOPVSA-N 460.380 2.364 30 10 JEEE CC(C)(C)OC(=O)N1[C@@H](COc2ncccc2B2OC(C)(C)C(C)(C)O2)CCS1(=O)=O 2224127837 NPSRPWGYRNZBDA-CQSZACIVSA-N 454.354 2.099 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2[C@H](NS(=O)(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)s3)[C@H]2C1 2255774301 QFFCYLCVQBBJBS-VIKVFOODSA-N 470.422 2.191 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H]1NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2255802949 HRRKSMNGFGSFOZ-CABCVRRESA-N 472.438 2.380 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@H]1NS(=O)(=O)c1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2255934144 XXATYOGQGIPTOH-LSDHHAIUSA-N 456.345 2.069 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H]1CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2255950328 LIPKHJWOPNOBOQ-ZIAGYGMSSA-N 472.438 2.486 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)[C@H]2COC[C@H]12 2266997536 MZBUOYAOIWSXAD-XYPHTWIQSA-N 464.393 2.411 30 10 JEEE CC[C@@](C)(CNC(=O)OC(C)(C)C)N(C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2267128852 UQEYEOHLNOLOMF-QFIPXVFZSA-N 450.389 2.485 30 10 JEEE C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2267378383 OMCOCRDJRIEROS-YOEHRIQHSA-N 467.397 2.057 30 10 JEEE C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2267465349 NXQREPSWOWQHJV-CQSZACIVSA-N 487.453 2.213 30 10 JEEE C[C@H]1CC[C@@H](CNC(=O)C(F)(F)F)N(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)C1 2267535694 ZWNOMYUTFJWUTR-RYUDHWBXSA-N 461.315 2.362 30 10 JEEE C[C@H]1C[C@H](NS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CN1Cc1ccccc1 2267703921 DZKQNBSXYGGOSM-PXNSSMCTSA-N 457.405 2.322 30 10 JEEE C[C@@H]1CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)CC[C@H]1NC(=O)C(F)(F)F 2267714756 ZZFSPUKEJJVBJN-VXGBXAGGSA-N 482.355 2.125 30 10 JEEE CCc1nn(C)c(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)c1B1OC(C)(C)C(C)(C)O1 2281981043 XJMCFOUIGZJPNT-GDBMZVCRSA-N 462.400 2.267 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC(C)(C)C1 2282038448 IWOZEANJSMKIMU-OAHLLOKOSA-N 462.400 2.485 30 10 JEEE CC1(C)OB(c2csc(S(=O)(=O)NCCN3CCN(Cc4ccccc4)CC3)c2)OC1(C)C 2282349602 BAAQVNZJSWHFKI-UHFFFAOYSA-N 491.488 2.143 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2CCCN(C(=O)C(F)(F)F)C2)n1 2282550858 FKTAPPWBWFBALI-AWEZNQCLSA-N 455.286 2.220 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2[C@H]3CC[C@@H]2CN(C(=O)OC(C)(C)C)C3)n1 2282581745 MCBPFMKDOWDDHP-IYBDPMFKSA-N 460.384 2.426 30 10 JEEE Cc1cc(C(=O)NC[C@@H]2CN(C)CCN2Cc2ccccc2)oc1B1OC(C)(C)C(C)(C)O1 2282589274 LOEZHWHMTCHJHU-HXUWFJFHSA-N 453.392 2.433 30 10 JEEE COc1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NOCCNC(=O)OC(C)(C)C)cc1OC 2282591779 UTSFUOOVSVBHDD-UHFFFAOYSA-N 466.340 2.189 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)CC1(F)F 2282670301 FXPVJZNWZQDSBB-AWEZNQCLSA-N 468.310 2.150 30 10 JEEE CC1(C)OB(c2nccnc2C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C(F)F)OC1(C)C 2283061156 LKAVYPSZNZRVIF-IAGOWNOFSA-N 458.318 2.271 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CC(F)(F)C1 2283070579 XUMBIQJQMBVNQV-ZDUSSCGKSA-N 468.310 2.150 30 10 JEEE CC1=C(B2OC(C)(C)C(C)(C)O2)CCN(C(=O)[C@H](NC(=O)OC(C)(C)C)C2CS(=O)(=O)C2)C1 2284043509 ZAJWUYQGCWOQOZ-QGZVFWFLSA-N 484.424 2.105 30 10 JEEE Cc1cc(NC(=O)[C@@H](CCC(N)=O)NC(=O)OC(C)(C)C)cc(B2OC(C)(C)C(C)(C)O2)c1 2284135599 RPQRHQLGEBNRJT-QGZVFWFLSA-N 461.368 2.392 30 10 JEEE CCN(CC)S(=O)(=O)c1ccc(C(O)=C2C(=O)C(=O)N(CCOC)[C@@H]2c2cccc(O)c2)cc1 2296777182 UYYBSOQRALOSNF-OAQYLSRUSA-N 488.562 2.491 30 10 JEEE CCCOc1ccc(C=NNc2cnn([C@H]3CCS(=O)(=O)C3)c(=O)c2Cl)cc1OC 2322614643 KGQNFARRESVWKF-AWEZNQCLSA-N 454.936 2.500 30 10 JEEE O=C(C=Cc1ccc([N+](=O)[O-])s1)C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 2325684140 PPLJIHKSSZKGRU-UHFFFAOYSA-N 459.465 2.468 30 10 JEEE COc1ccc(C=Nn2c(Cc3ccc(OC)c(OC)c3)nnc2SCC(N)=O)cc1OC 2326735873 PJJPJHWEIMDXGE-UHFFFAOYSA-N 471.539 2.363 30 10 JEEE CC1(C)OB(c2sncc2C(=O)NC[C@]2(O)CCCN(Cc3ccccc3)C2)OC1(C)C 2337335550 ATDPLWWWARBNHW-HSZRJFAPSA-N 457.405 2.199 30 10 JEEE COc1nc(OC[C@@H]2COCCN2C(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2339827687 AAZLNRZFNCFJLB-HNNXBMFYSA-N 450.341 2.404 30 10 JEEE CCOC(=O)[C@@H]1CCCN(c2nc(O)c3c(n2)NC(=O)[C@H](C#N)[C@@H]3c2ccc(O)c(OCC)c2)C1 256034272 ZGZBWFKUTLZENU-RKVPGOIHSA-N 481.509 2.290 30 10 JEEE C#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@@](C)(O)CC(=O)O 757308958 ZISBVTOQCRTLHB-OFVILXPXSA-N 450.491 2.259 30 10 JEEE CC(=NNc1nc(SCCC(=O)Nc2ccc3c(c2)C(=O)NC3=O)n[nH]1)c1ccccc1O 1084289369 UNKVGQOIHBNHKR-UHFFFAOYSA-N 465.495 2.351 30 10 JEEE Nn1c(NN=Cc2cc(Cl)ccc2O)nnc1SCC(=O)Nc1ccc2c(c1)OCCO2 1084339563 HNXHKCCQJSSIFK-UHFFFAOYSA-N 475.918 2.299 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)C(=O)[C@@]23CCC(=O)N2c2ccccc2C(=O)N3CCC)c1 1141896397 CQCPIIZSNOOTOL-AREMUKBSSA-N 458.518 2.454 30 10 JEEE C[C@H](CNC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)c1ccc(S(C)(=O)=O)cc1 1233850221 APZHORWJDNBHOK-KYJSFNMBSA-N 450.561 2.252 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 1286383070 CQIJAMAXYCXNBO-FUHWJXTLSA-N 494.017 2.223 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@](C)(O)[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1286387740 UUTVHQZOGBAXHM-STSQHVNTSA-N 460.600 2.378 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2nnc(C)s2)CC1 1286491816 CJUMVQSVTMOZGJ-UHFFFAOYSA-N 490.593 2.097 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1286672519 NXCRGJFRMPCMST-VGOFRKELSA-N 462.620 2.268 30 10 JEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCN(Cc2cccs2)CC1 1286727525 SECVFEVLXVUCRU-HXUWFJFHSA-N 494.687 2.207 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc(-c2cnn(C)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1286743738 QEYOIYAQXHELBQ-HXUWFJFHSA-N 455.588 2.295 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)ccc2Br)nnc1N(C)CCc1cnccn1 1286781885 DBWOGECFVMRXJO-UHFFFAOYSA-N 486.374 2.487 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CCNC(=O)C(C)(C)C)C1 1286807842 GTUUYWIICPMBOP-QGZVFWFLSA-N 489.646 2.182 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Br)c2)nnc1N1CCC(C(N)=O)CC1 1286814949 IQJFFSVFXHIDDC-UHFFFAOYSA-N 482.404 2.010 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)ccc2C)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1286822292 CQLIBMXSZCLTKK-MOPGFXCFSA-N 489.598 2.009 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1cccc(Cl)c1 1288524268 AXBHGZVSXDBTNP-MAUKXSAKSA-N 482.994 2.082 30 10 JEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1ccc(OC(F)F)cn1 1297253070 HHVYBSSVQQRCPE-INIZCTEOSA-N 452.483 2.453 30 10 JEEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccccc1OC)N1CCCC1 1300457773 AIVSQLPJEPMFSE-QUCCMNQESA-N 457.600 2.095 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)ccc3Br)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1300689549 YIJHZMJNANWSOW-ZHRRBRCNSA-N 490.402 2.011 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H](C(C)C)N2CCOCC2)CC1 1300690503 BOZZERUXWQPZPF-JOCHJYFZSA-N 482.629 2.074 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccccc2OC(F)F)CC1 1300710844 NSMMFHQQSPLTHP-ICSRJNTNSA-N 461.513 2.407 30 10 JEEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCOC2(CCOCC2)C1 1300743564 UWCZGFVNJVCLEW-UHFFFAOYSA-N 476.624 2.101 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(Cc2c(F)cccc2F)n1CCOCCS(C)(=O)=O 1300809324 XQUYYZKJRCVMCH-OAQYLSRUSA-N 452.527 2.200 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(CNC(C)=O)CC1 1300875344 OVKIEEXFNKMEGF-PZJWPPBQSA-N 467.574 2.259 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccccc2F)nnc1N1CCN(CCOC)C(=O)C1 1300898077 WBKLMNQXDZNVNH-MBSDFSHPSA-N 473.549 2.272 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2cccc(C(N)=O)c2)C1 1301544233 UWSASQAPIQOHIU-RDPSFJRHSA-N 455.559 2.247 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(COc3cc(C)ccc3C)n2CC2(O)CCS(=O)(=O)CC2)C1 1301566131 MRMRABMHQUGVJT-FQEVSTJZSA-N 490.626 2.195 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCCC[C@H](COC)C1 1301576107 SHEQZANAOHZKCG-SFHVURJKSA-N 496.655 2.202 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCCC[C@@H](COC)C1 1301585548 CUKQWTJXLUSEID-LJQANCHMSA-N 472.615 2.370 30 10 JEEE CN(C)C(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCC(F)(F)C2)CC1 1314642392 GXNYNGKYLDAHAH-GOSISDBHSA-N 457.529 2.462 30 10 JEEE COC1CCN(C(C)(C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@H](C(N)=O)C2)CC1 1315703849 GOHBVVMUSFZBOR-FQEVSTJZSA-N 495.628 2.320 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1csc(CC)n1)[C@H]1CCS(=O)(=O)C1 1358956496 GRCCFYJHPYCSEH-AVRDEDQJSA-N 493.655 2.013 30 10 JEEE C#CCN(c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCOCCCO)[C@H]1CCS(=O)(=O)C1 1358958688 UCRVXYMMGZUOIA-MJGOQNOKSA-N 492.667 2.157 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1cccnc1 1358979170 FGTPHESEHLINFC-FQEVSTJZSA-N 450.543 2.297 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@H]2C(F)(F)C23CCC3)CC1 1359041418 VYYRPDVKBPPFCP-SJLPKXTDSA-N 465.545 2.403 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCOc2cccc(F)c2)CC1 1359046904 KKFIMWRSFOPDDG-UHFFFAOYSA-N 479.560 2.324 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CCOC2)nnc1N1C[C@@H](C(=O)OC)[C@H](CNC(=O)OC(C)(C)C)C1 1359150545 AQDDMEBNHQZEFI-BZUAXINKSA-N 469.970 2.285 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1c(C)noc1C 1359189716 SPJQJVHMDUDYAG-SFHVURJKSA-N 466.608 2.455 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](CC)C1 1359309828 FJODILFZESZTIS-WIYYLYMNSA-N 475.615 2.460 30 10 JEEE C=CCN(C(=O)[C@H]1CCCN(C(=O)N2CCc3sccc3C2)C1)[C@H]1CCS(=O)(=O)C1 1435069135 NNVDNLPDTPKJRH-ROUUACIJSA-N 451.614 2.140 30 10 JEEE C=C[C@@H]1OCC[C@H]1NC(=O)[C@@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)[C@H](C)CC 1460071164 AKPRRAJDWUYKNI-BPQTVZERSA-N 472.007 2.195 30 10 JEEE C#CCNC(=O)CN1CCCN(C(=O)Cc2c(C)nn(-c3ccc(C)c(Cl)c3)c2C)CC1 1464851525 YCWKERIFRSTNOO-UHFFFAOYSA-N 455.990 2.277 30 10 JEEE CCC(CC)(Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C#N)C1)NC(=O)OC(C)(C)C 1496505607 BNXQAAMSTRWYBL-KRWDZBQOSA-N 475.594 2.326 30 10 JEEE COc1cc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC(CC#N)CC2)cc(OC)c1OC 1504088976 AVKBVUJQTMFEED-QGZVFWFLSA-N 454.531 2.433 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCc2cc(OC)ccc21 1507538094 KJBJLWSSPONTEL-LRXVAGHRSA-N 487.626 2.198 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCN(C)S(=O)(=O)CC 1507548553 VJYNMKWKADSBKJ-MSOLQXFVSA-N 482.651 2.480 30 10 JEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1507562842 ADQWFAGPTJYOJC-GOSISDBHSA-N 472.571 2.219 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1cccnc1OCCCC)[C@H]1CCS(=O)(=O)C1 1507632534 MWQGYMUVDMUIME-PMACEKPBSA-N 473.599 2.031 30 10 JEEE C=C(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 1507827636 YUQZEKUXGYWASZ-QGZVFWFLSA-N 469.011 2.446 30 10 JEEE C=CCCOCCn1c(-c2cc(Br)cn2C)nnc1N1CCN(C(C)=O)CC1 1507957357 GTQJXRVNLLAKRL-UHFFFAOYSA-N 451.369 2.307 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@]2(CCC(=O)N2)C1)C(C)C 1508012179 YSFXXJGQCHWDKR-CPJSRVTESA-N 469.634 2.072 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCC[C@@H](COC)C1 1508089846 GKHHAQQLPUPCTO-MOPGFXCFSA-N 492.621 2.142 30 10 JEEE C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)NCC(=O)NOC)ccc1Cl 1539091150 JUJSALBHLOSDJY-UHFFFAOYSA-N 455.895 2.268 30 10 JEEE C#CCCCn1c(CSc2ccccc2OC)nnc1N1CCCN(S(C)(=O)=O)CC1 1539139297 CSYDOYCMDJMADF-UHFFFAOYSA-N 463.629 2.464 30 10 JEEE C#CCN(C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@]1(N2CCOCC2)CCSC1 1539161528 HKQUKLYFKMMCNZ-HSZRJFAPSA-N 457.600 2.240 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1C[C@@H]1CCOC[C@H]1OC)[C@@H]1CCS(=O)(=O)C1 1539210871 FBDRYVGHWLVGRU-BHDDXSALSA-N 472.611 2.186 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCC[C@@H]1OC)[C@@H]1CCS(=O)(=O)C1 1539212099 RGVNADCOOQTMKN-HBMCJLEFSA-N 453.568 2.259 30 10 JEEE C#CCN(c1nnc(Cc2c[nH]c3ccccc23)n1CCCCCO)[C@H]1CCS(=O)(=O)C1 1539224495 HMHGRHHAMILUTB-IBGZPJMESA-N 455.584 2.140 30 10 JEEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1nnc2n1CCCCC2 1539298828 APVBINVZMWKHFQ-DEOSSOPVSA-N 451.575 2.148 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(N2CCSCC2)CCCCC1 1539368661 AOCURCZEHCSLKQ-LJQANCHMSA-N 465.689 2.391 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1539751216 INZJPCIIJZPEIR-OALUTQOASA-N 497.662 2.466 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(OC)ccc3Br)n2Cc2nnn(C)n2)C1 1540885033 AHFVFPJUYDOTFH-CQSZACIVSA-N 475.351 2.069 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CC(C)(C)CN(C)C)C1 1540887064 PFFHDHUFXWZORA-FQEVSTJZSA-N 451.579 2.290 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1540903009 WBSAEAFZYYSYKO-HXUWFJFHSA-N 490.586 2.355 30 10 JEEE C[C@H](CC#N)N(C)c1nnc(COc2ccccc2F)n1C[C@H]1CCCN1S(C)(=O)=O 1541806273 HTBQXNHZZCWVLO-HZPDHXFCSA-N 450.540 2.159 30 10 JEEE CC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C(N)=O)C1)NC(=O)OC(C)(C)C 1545968246 BAVSFULIWQYQHA-MSOLQXFVSA-N 453.547 2.432 30 10 JEEE Cn1cc(C(=O)N2C[C@@H](C(N)=O)[C@H](C3CCN(c4ccc(C#N)c(C(F)(F)F)c4)CC3)C2)cn1 1548393488 ZUYLKWPLKCXMPW-RBUKOAKNSA-N 474.487 2.401 30 10 JEEE CN(C[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCCO2)C1)S(C)(=O)=O 1554228769 GADAHJFGUOXMEB-FPOVZHCZSA-N 472.615 2.494 30 10 JEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1587822872 DLWBXMYJWYOEJF-PMACEKPBSA-N 457.600 2.472 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ccccc1OC(F)F)[C@@H]1CCS(=O)(=O)C1 1588049909 NEJVWLYXWKKXJF-MRXNPFEDSA-N 474.493 2.012 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CCCNC(=O)c1occc1C 1588219317 QIWRKTFQQNCPCV-UHFFFAOYSA-N 462.510 2.190 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H](C)CN2CCCCC2)CC1 1588751381 KAFUYBLBCZCFMC-RDGATRHJSA-N 458.651 2.196 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2[C@@H]2C[C@@H]2C)CC1 1588885857 ZUDSCMYFQFUUNF-HNAYVOBHSA-N 454.962 2.408 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(Cn2nc(C)cc2C)CC1 1589070685 WGMNBKLCCHIVCP-HXUWFJFHSA-N 476.672 2.277 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccccc2OC)nnc1N(C)CC(=O)N1CCOCC1 1589567203 BSGUKMAWJFQBOJ-YADARESESA-N 485.585 2.142 30 10 JEEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCc2c(ccnc2O)C1 1595545146 RLQXTKVAMGPHJV-UHFFFAOYSA-N 497.600 2.358 30 10 JEEE C=CCOc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CCC[C@@H](NC(C)=O)C2)cc1 1595640372 VXEZNMHYEORREG-HXUWFJFHSA-N 452.559 2.119 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCCc2ccccc2)nnc1N1CCO[C@]2(CCOC2)C1 1595822070 GIFCBFUNENFJPG-HSZRJFAPSA-N 460.600 2.050 30 10 JEEE CNC(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1CC1CN(C(=O)OC(C)(C)C)C1 1618761833 HNOUDURQJBUZEF-UHFFFAOYSA-N 453.547 2.256 30 10 JEEE COc1ccc(CCn2c(Cc3cccnc3)nnc2N2CCO[C@@H](C#N)C2)c(OC)c1OC 1619252252 DUFVWKPZLHRGDT-IBGZPJMESA-N 464.526 2.261 30 10 JEEE COc1ccc(-c2nc(CCNC(=O)[C@@H](C)NS(=O)(=O)c3ccc(C#N)cc3)co2)cc1 1626349967 BMKCHDFIGLMGRN-OAHLLOKOSA-N 454.508 2.248 30 10 JEEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](COC)C(N)=O 1632001143 SHDNOYDXLWXPFM-FGZHOGPDSA-N 451.523 2.476 30 10 JEEE CCC[C@H](C)NC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N2CCOCC2)C1 1649632935 DFULQPMOMCZQIX-UGKGYDQZSA-N 493.612 2.197 30 10 JEEE COc1ccccc1[C@H](CNC(=O)CNS(=O)(=O)c1cccc(C#N)c1)N1CCCCC1 1650721967 CTGWSCRAZVXCNM-NRFANRHFSA-N 456.568 2.189 30 10 JEEE CCN(C)C(=O)OC[C@H]1CCCCN1CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 1658552576 DFODDCYJGYZPLW-YADHBBJMSA-N 459.566 2.477 30 10 JEEE C=CCN1CC[C@H](N(C)C(=O)Nc2ccc(C(=O)N3CCC(C(=O)OCC)CC3)cc2)C1=O 1667310163 RVJXTYNOFPOSKP-FQEVSTJZSA-N 456.543 2.353 30 10 JEEE C#CCOc1cc(F)ccc1NC(=O)N1CCCN(S(=O)(=O)c2c(C)noc2C)CC1 1667563479 ZBYOOWFJUOHKGC-UHFFFAOYSA-N 450.492 2.371 30 10 JEEE C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)NCc2cccc(CN3CCN(C)CC3)c2)cc1 1668816319 BKYXISSEJDURHI-SFHVURJKSA-N 455.584 2.441 30 10 JEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C2)cc1 1673393156 LUESMFNRQCIXPR-CJNGLKHVSA-N 462.494 2.414 30 10 JEEE C#CCCCn1c(N2CCN(C(=O)c3ccc(O)cc3)CC2)nnc1[C@@]1(OCC)CCOC1 1689940782 CMWFIWZUBMXBIM-XMMPIXPASA-N 453.543 2.012 30 10 JEEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(C)cc1OCC(F)(F)F 1689945631 GQVXJZWQKWHINV-CQSZACIVSA-N 459.494 2.256 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1689977771 CHWZAWMZRIJDHA-ULQDDVLXSA-N 489.564 2.412 30 10 JEEE C#CCN(c1nnc(CC)n1CCN(CCC)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1689993171 XEYIXFFMVKRZKW-KRWDZBQOSA-N 453.609 2.114 30 10 JEEE C#CCN(c1nnc(CCOc2ccccc2)n1CC1(SC)CC1)[C@H]1CCS(=O)(=O)C1 1689994000 OYUHMSNBZJAVBH-SFHVURJKSA-N 460.625 2.422 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(CN2CCC(O)CC2)cc1 1690102666 RTNQJKICUYDSCM-HSZRJFAPSA-N 467.614 2.263 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC(=O)N2CCCCCC2)CC1 1690114982 NGHTZJUOKZQLIH-UHFFFAOYSA-N 465.558 2.401 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CC(=O)N(C)CC)CC1 1690133694 QFURLSMFPVIDRJ-UHFFFAOYSA-N 465.385 2.397 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2CCO[C@H]2C(C)C)CC1 1690137826 JTPOOXIECHYTPM-MCEYFSPLSA-N 487.645 2.346 30 10 JEEE C#CCSCCn1c(-c2cnccn2)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 1690169706 LPYRSTMIYLOQGS-QGZVFWFLSA-N 452.540 2.172 30 10 JEEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 1690301056 NXINIMQJKOJVLR-KDOFPFPSSA-N 483.557 2.011 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)Nc1cccc(C)c1C 1690313536 WNEVXPMXCWEIOJ-LJQANCHMSA-N 475.615 2.465 30 10 JEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC=C(Br)C1 1690464879 MJUDVVODEMEHDS-INIZCTEOSA-N 474.425 2.456 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](C)O[C@H](c2ccccc2)C1 1690678417 VTZCKFWGIGYXIB-XBZUYWNMSA-N 455.559 2.271 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCCC1(C)C 1690724670 UDHJRENVBPQIFH-UHFFFAOYSA-N 459.620 2.432 30 10 JEEE C=CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)OC[C@@H]2C1 1690746869 LTFWFYBLAUBFDB-DLBZAZTESA-N 494.618 2.147 30 10 JEEE CC(C)NS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1692571881 GOHFYIBFUWJEIT-WMLDXEAASA-N 486.520 2.301 30 10 JEEE CC[C@@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@@H](C)CN1CCN(CC)CC1 1694115431 DCFJAEXSGDFNSU-LEWJYISDSA-N 496.708 2.305 30 10 JEEE CCN1C[C@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCO[C@@H]2C)C[C@@H]1C 1695812274 DOQPWYIILVVXHW-YBJWPOLQSA-N 454.575 2.188 30 10 JEEE CCN1CCCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](CNC(C)=O)C1 1695840030 BYIAENMDKRRJBC-FGZHOGPDSA-N 451.575 2.032 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@@H]1CSCCS1)[C@H]1CCS(=O)(=O)C1 1705569836 HKNAWSHMBVFFOP-RBUKOAKNSA-N 492.692 2.353 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CCc1ccc(C)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1705571281 YEHZGLJMQUQULH-QFIPXVFZSA-N 479.606 2.450 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1CCCN1C[C@H](C)O[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1705571453 ZKWQYDZQGYTIEX-WPFOTENUSA-N 499.681 2.189 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2cccnc2)n1Cc1ccccc1CN1CCC[C@@H]1CO 1705584326 GOHQFWKOAXSQGC-RUZDIDTESA-N 454.578 2.342 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCCN2C[C@H](C)C[C@@H](C)C2)CC1 1705632326 MKZWFUBKPCTXHM-NHCUHLMSSA-N 457.667 2.320 30 10 JEEE C=CC1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@@]2(O)CCN(C)C2)CC1 1705778392 UWLIJPYFFIZRBV-XMMPIXPASA-N 457.575 2.440 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCC[C@](C)(OC)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1705938867 LIRQSTSPYFKFPY-FCHUYYIVSA-N 470.636 2.315 30 10 JEEE CNC(=O)[C@@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N2CCCCCC2)C1 1711324755 FFYHPRJVCCUEQK-SANMLTNESA-N 493.612 2.484 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H](CC(C)C)NC(=O)OCC)[C@H]1CCS(=O)(=O)C1 1722361387 MPJDDCPTOQBIOO-UXHICEINSA-N 488.614 2.128 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1cc(F)ccc1OC)[C@@H]1CCS(=O)(=O)C1 1722369185 VRYRKAGPAMKPHG-QUCCMNQESA-N 462.547 2.342 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ccc(NC(C)=O)nc2)CC1 1722441268 JGMMOLIEKLORAA-IFMALSPDSA-N 465.602 2.354 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](C)Oc2cccc(OC)c2)CC1 1722446010 JGWOUELQRDPXRY-GOSISDBHSA-N 477.569 2.121 30 10 JEEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@]2(CNC(=O)C2)C1 1722552323 OOCKZPWRRBQABC-BTYIYWSLSA-N 466.970 2.055 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1722581482 CNUXSHVYZYEWAX-GOSISDBHSA-N 481.667 2.219 30 10 JEEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](c2nnc3n2CCC3)C1 1722601870 YLMUEABZKQUUQI-IAGOWNOFSA-N 462.624 2.166 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 1722728783 YCRPCXJWSURLJL-UHFFFAOYSA-N 486.642 2.297 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CC(C)(C)OC[C@@H]1C 1722729653 SMKCROPQULUFJL-KRWDZBQOSA-N 458.588 2.121 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1722730099 INNXUXZZLYDICJ-NHCUHLMSSA-N 487.626 2.322 30 10 JEEE CCO[C@@]1(c2nnc(N(C)[C@@H](C)CC#N)n2Cc2cccc(CS(C)(=O)=O)c2)CCOC1 1728753009 BWKNPAPEUUXAFU-JTSKRJEESA-N 461.588 2.261 30 10 JEEE COCCN1C[C@H](Cn2c(Cc3ccccn3)nnc2N(C)Cc2ccc(C#N)cc2)CC1=O 1730777595 GPQBMUBRFXXIGU-OAQYLSRUSA-N 459.554 2.267 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCC[C@H]2OC)c1 1740563225 RHNLZZWWIHRGOE-YZGWKJHDSA-N 450.543 2.101 30 10 JEEE C#CCN(c1nnc([C@H](C)OCCOC)n1Cc1cscc1C)[C@@H]1CCS(=O)(=O)C1 1740617223 NZVCFNXXKVOCEV-FUHWJXTLSA-N 452.602 2.047 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H](C)CN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1740623962 BHDFGRVAZHXBBX-UNMCSNQZSA-N 470.643 2.013 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@H]1CCSC1)[C@@H]1CCS(=O)(=O)C1 1740624260 HGNDGSVDKMHNOZ-NVXWUHKLSA-N 451.643 2.014 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1Cc1ccccc1CN1CCC[C@@H]1CO)[C@@H]1CCS(=O)(=O)C1 1740628377 XHLYIMHDLGOAEL-DNQXCXABSA-N 499.681 2.108 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC[C@@H](OCC)C1CCCC1)[C@@H]1CCS(=O)(=O)C1 1740628547 YRMGYTRBNIAQSG-NJDAHSKKSA-N 464.632 2.394 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H]1NC(=O)CC1(C)C 1740653671 UCRQPRSRBPLNKD-FQEVSTJZSA-N 471.565 2.053 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2Cc2cccnc2OCC(F)F)CC1 1740697645 BCDMMBKIFHSQOP-UHFFFAOYSA-N 453.497 2.106 30 10 JEEE C=C(C)CN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1740773928 HLNKVCIRXYSIJR-QHCPKHFHSA-N 497.662 2.345 30 10 JEEE C=C(C)COCCn1c(N2CCN(c3ncccc3C#N)CC2)nnc1[C@]1(OCC)CCOC1 1740799219 IIKKOCYXQOIJQZ-DEOSSOPVSA-N 467.574 2.116 30 10 JEEE C=C1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CCCS(C)(=O)=O)CC1 1740823920 QWMQHNGMLIAXCC-UHFFFAOYSA-N 456.572 2.266 30 10 JEEE C=CCN(c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCNS(=O)(=O)CC)C1CC1 1740910007 FZNQCECEAMSMSK-UHFFFAOYSA-N 482.651 2.487 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1740990335 REKLVEPYIJTUCE-GOEBONIOSA-N 459.494 2.405 30 10 JEEE C#CCN(c1nnc(C(C)C)n1Cc1ccccc1CN1CCCC1=O)[C@H]1CCS(=O)(=O)C1 1748801895 IWVAPXFUTGKANO-NRFANRHFSA-N 469.611 2.199 30 10 JEEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1CCCn1cc(Br)cn1 1748868823 JXLBTPWCWQPKFG-NRFANRHFSA-N 475.391 2.442 30 10 JEEE C#CCN1CCN(c2nnc(CSc3ccccc3OC)n2CC[C@@H]2COCCO2)CC1 1748999808 GOAXWRRUKRANMZ-LJQANCHMSA-N 457.600 2.140 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@H]2CCCn3cc(C)nc32)CC1 1749005232 SVRYVQUKOHYXKZ-FPOVZHCZSA-N 483.617 2.050 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCCN2CCOCC2)CC1 1749005267 UJWXSLMIKXXFMI-HXUWFJFHSA-N 498.603 2.245 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2CCCCN2CCOCC2)CC1 1749011220 ZSQPJTJDJPDTGJ-UHFFFAOYSA-N 468.577 2.162 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1749721114 AKODKHRUFCIOBB-KRWDZBQOSA-N 499.634 2.042 30 10 JEEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCc2sccc2C1 1749738088 DYJLMBZLVAFICA-UHFFFAOYSA-N 477.637 2.495 30 10 JEEE C=CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@H](NC(C)=O)C1 1749745620 BPUZAZIAYLBYTG-IBGZPJMESA-N 492.671 2.220 30 10 JEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](O)(c2ccccc2F)C1 1749754860 AQVIEVOWVYYRJL-KKSFZXQISA-N 466.604 2.336 30 10 JEEE N#Cc1ccccc1N1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(F)(F)F)CC1 1750384620 HOAVZIVIYGQCBM-INIZCTEOSA-N 468.505 2.331 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@@](C)(O)CCC)c1 1760126596 CYINYRXWVLJDKL-DEOSSOPVSA-N 452.559 2.121 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cn4ccccc4n3)n2CC(=O)NCCC)c1 1760127653 HJKCTZGPWQTIDY-UHFFFAOYSA-N 484.564 2.099 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2C[C@@H]2CCCS(=O)(=O)C2)c1 1760127955 SDSUUNBHPBWACY-NRFANRHFSA-N 492.605 2.145 30 10 JEEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cc2c(cc1OC(F)F)OCO2 1760165216 MFZAXVIVSIPEAJ-OAQYLSRUSA-N 450.442 2.378 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1Cc1ccoc1)[C@@H]1CCS(=O)(=O)C1 1760181648 ZATDNJNIGHMNMC-GOSISDBHSA-N 456.524 2.230 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H](C)N(C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1760187181 IPCHXMXDAMDTQK-VWPQPMDRSA-N 471.627 2.324 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H]1N(C)CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1760190332 PDGBNVXJJFXFAV-SFTDATJTSA-N 470.643 2.011 30 10 JEEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(CCC(N)=O)CC1 1760275706 FXKVSRCSUCVOHB-UHFFFAOYSA-N 475.640 2.197 30 10 JEEE C#CCSCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCS(=O)(=O)CC1 1760277571 PEZRTLYKLTZPGI-UHFFFAOYSA-N 464.613 2.342 30 10 JEEE C=C(Br)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(CC)[C@H](C)C1 1760302408 CANCLTKBNZUHRF-OAHLLOKOSA-N 458.368 2.360 30 10 JEEE C=C(Cl)Cn1c(-c2ccccn2)nnc1N1C[C@@H]2[C@@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1760371643 GROCUYBHTZDYMU-PVAVHDDUSA-N 495.005 2.219 30 10 JEEE C=CCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1760509641 WTKUJFGINOBNMZ-MRXNPFEDSA-N 456.572 2.264 30 10 JEEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)CCC(F)(F)F 1760514832 GSZHRIBPNHNGEA-UHFFFAOYSA-N 473.525 2.237 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@@H](CN(C)CCC)C1 1760519959 VVNMEVXCLKJGFD-SFHVURJKSA-N 454.575 2.187 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC[C@@H]2COCCO2)C1 1760535215 NBOIWKPBFDXHOD-VQTJNVASSA-N 475.977 2.448 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1760554687 KBHAVMYMNNLSFH-UHFFFAOYSA-N 460.579 2.415 30 10 JEEE CCc1noc([C@@H](C)N2CCN(c3nnc(-c4ccc(C#N)cc4)n3CCNC(=O)C(C)C)CC2)n1 1764967759 GGDHVUOZTMNLPD-GOSISDBHSA-N 491.600 2.418 30 10 JEEE CCN1CCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1765435717 ACZGHVGNRDAAPW-TZIWHRDSSA-N 471.631 2.067 30 10 JEEE COc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1C[C@H](c1ccco1)N(C)C 1768980419 DIFZRWKKNKOKFA-QZTJIDSGSA-N 452.515 2.490 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)COc3cccnc3NC(=O)N[C@@H](C(=O)O)C(C)C)cc21 1858806977 HZFZROKOYLVVCX-OAQYLSRUSA-N 482.493 2.485 30 10 JEEE COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2C[C@H](C)O)cc(OC)c1OC 1862612087 APGXHXARRBLUST-ZSEKCTLFSA-N 485.489 2.443 30 10 JEEE COc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(CCCN3CCOCC3)C2=O)cc1OC 1863160534 ODSXXVKRLZILSY-UHFFFAOYSA-N 476.533 2.490 30 10 JEEE Cc1ccc(S(=O)(=O)Nc2c(C#N)nnn2Cc2cc([N+](=O)[O-])cc3c2OCOC3)cc1 1870095181 CGJKIQKRQBLDRW-UHFFFAOYSA-N 456.440 2.082 30 10 JEEE C=CCN(CC=C)C(=O)c1cc2c(N3CCN(c4ncccn4)CC3)ncnc2n1CCOC 1873560228 PNGOUFURVNKCPA-UHFFFAOYSA-N 462.558 2.009 30 10 JEEE COCc1nnc(SCC(=O)Nc2nccs2)n1/N=C/c1cc(OC)c(O)c(OC)c1 1874499561 UMLPSETYOIHOLW-DNTJNYDQSA-N 464.529 2.217 30 10 JEEE COc1cc(C(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)cc(OC)c1Br 1889535953 PGMJAGNVLWYUGS-UHFFFAOYSA-N 494.430 2.338 30 10 JEEE Cc1cc(S(=O)(=O)NCCNC(=O)OCc2ccccc2)ccc1B1OC(C)(C)C(C)(C)O1 2247876440 PKCBSIBHZBFTOZ-UHFFFAOYSA-N 474.388 2.499 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](O)CN1C(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2255880109 ZTNDWMKWHXTGFP-KGLIPLIRSA-N 452.382 2.147 30 10 JEEE CN(CC1(O)CN(C(=O)OC(C)(C)C)C1)C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C 2259127708 IPHPBDTYEBXVFN-MRXNPFEDSA-N 454.568 2.404 30 10 JEEE CC1(C)OB(c2cc(C(=O)N3C[C@@H]4OCCN(Cc5ccccc5)[C@@H]4C3)ns2)OC1(C)C 2267145148 BMHPAZALIUAKOW-MOPGFXCFSA-N 455.389 2.168 30 10 JEEE CC(C)(C)OC(=O)NC1(CNC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)CCOCC1 2267162713 QTQKJIAMNDCMLQ-UHFFFAOYSA-N 467.397 2.246 30 10 JEEE CN(C[C@@H]1CN(C(=O)c2occc2B2OC(C)(C)C(C)(C)O2)CCO1)C(=O)OC(C)(C)C 2267181646 VGQZGEHIQWANEZ-OAHLLOKOSA-N 450.341 2.287 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@]1(CO)C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)s1 2268640104 UGQHIAGEYRCVMP-QFIPXVFZSA-N 466.409 2.426 30 10 JEEE Cn1cc(NC(=O)OC(C)(C)C)c(C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)n1 2268651876 QUYZPLARVZSGPR-UHFFFAOYSA-N 463.369 2.453 30 10 JEEE C=C(CS(=O)(=O)N1C[C@@H](C)OC2(CN(C(=O)OC(C)(C)C)C2)C1)B1OC(C)(C)C(C)(C)O1 2272811696 OIWINDXQYKRGKC-MRXNPFEDSA-N 472.413 2.214 30 10 JEEE CCCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CC[C@@](C)(NC(=O)C(F)(F)F)C1 2281813067 AYSVINIMRQRBQA-HXUWFJFHSA-N 457.302 2.480 30 10 JEEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)N(C(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)C1 2281829381 XUHOYVSIKJQUQD-CVEARBPZSA-N 462.400 2.437 30 10 JEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)CCN1C(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2281942372 APMAYUURQNWALK-UHFFFAOYSA-N 480.392 2.009 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1C[C@H](F)CN(C(=O)OC(C)(C)C)C1 2281964609 ACCSJFUGKDEHFC-GJZGRUSLSA-N 466.363 2.280 30 10 JEEE CC(C)(C)OC(=O)N1C[C@]2(F)CCC[C@@]2(NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2281991086 WDTIATZIDZKNKB-FGZHOGPDSA-N 464.347 2.320 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2[C@H]3CC[C@H]2CN(C(=O)OC(C)(C)C)CC3)n1 2282051431 UDNMEQKDLXLKFO-HOTGVXAUSA-N 460.384 2.333 30 10 JEEE COC(=O)[C@]1(NC(=O)OC(C)(C)C)C[C@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2282666720 JEHSFGUUOSMHGM-MRAWUWRDSA-N 480.392 2.376 30 10 JEEE CC(C)(C)OC(=O)N1CC(N2CCN(c3ccc(N)c(B4OC(C)(C)C(C)(C)O4)c3)CC2)C1 2283028253 XKTOATBNKVXUIW-UHFFFAOYSA-N 458.412 2.309 30 10 JEEE CN(Cc1sccc1B1OC(C)(C)C(C)(C)O1)C(=O)CN1CC(CNC(=O)OC(C)(C)C)C1 2283955165 KJWSSDHKSQNTQO-UHFFFAOYSA-N 479.452 2.462 30 10 JEEE CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc(B2OC(C)(C)C(C)(C)O2)ccc1Cl 2283967813 HCUASUUGGGSOMQ-AWEZNQCLSA-N 483.758 2.429 30 10 JEEE CN(Cc1sccc1B1OC(C)(C)C(C)(C)O1)C(=O)[C@H](CCC(N)=O)NC(=O)OC(C)(C)C 2284041721 PUGUGEHQVINZLH-HNNXBMFYSA-N 481.424 2.165 30 10 JEEE Cc1cc(S(=O)(=O)NCCN(CC(=O)O)Cc2ccccc2)sc1B1OC(C)(C)C(C)(C)O1 2284414612 RUSLXBYRXOLHIV-UHFFFAOYSA-N 494.444 2.221 30 10 JEEE C=CCN1C(=O)C(=Cc2c(NCCCN3CCOCC3)nc3ccccn3c2=O)SC1=S 2296728702 GBQNZQNGOQJGOH-UHFFFAOYSA-N 471.608 2.216 30 10 JEEE CC(C)(C)OC(=O)N1CC(OCCCNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)C1 2337235520 OQBJTURNWOIAKR-UHFFFAOYSA-N 450.341 2.335 30 10 JEEE CC1(C)OB(c2sncc2C(=O)N2C[C@H]3OCCN(Cc4ccccc4)[C@@H]3C2)OC1(C)C 2337342052 ALBSHHVMPXOFJC-RTBURBONSA-N 455.389 2.168 30 10 JEEE CC(C)(C)OC(=O)N[C@@]1(C(=O)O)CCN(c2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)C1 2345745027 HROVCHOPFVXSDN-NRFANRHFSA-N 451.304 2.078 30 10 JEEE CC(C)(C)OC(=O)NC[C@](CF)(C(=O)O)N1C[C@H](NC(=O)C(F)(F)F)CC[C@H]1C(F)(F)F 2351153740 ODAXVNDWBSZALK-HFBDOXOYSA-N 483.381 2.378 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@]12CCCN(C(=O)OC(C)(C)C)C[C@@H]1C2 2362352397 CUPIUDFGQGFECI-NPMXOYFQSA-N 460.384 2.239 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC[C@@H](NC(=O)OC(C)(C)C)C(F)(F)F 2362358343 ZJTUORZQASDOOK-GFCCVEGCSA-N 476.305 2.295 30 10 JEEE C[C@H]1C[C@H]2[C@@H]([C@@H](O)C[C@]3(C)[C@@H]2CC[C@@]3(O)C(=O)COC(=O)CCC(=O)O)[C@@]2(C)C=CC(=O)C=C12 263599005 IMBXEJJVJRTNOW-KJPSHHDYSA-N 474.550 2.219 30 10 JEEE C=CCNC(=O)CN1CCN(C(=O)c2nnn(-c3cccc(C(F)(F)F)c3)c2C2CC2)CC1 499863141 PRJJGMCZJOQJJF-UHFFFAOYSA-N 462.476 2.224 30 10 JEEE C[C@]12CC[C@@H]3[C@H](CC[C@@]4(O)C[C@@H](O)CC[C@]34/C=N/N3CCOCC3)[C@@]1(O)CC[C@H]2C1=CC(=O)OC1 504451909 CERLQMOZFXRTGG-NWKJWFFWSA-N 488.625 2.017 30 10 JEEE C=CCNC(=O)CN1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)C23CC4CC(CC(C4)C2)C3)CC1 516759104 PDIKIMITTZACSU-JRXUVTBESA-N 492.664 2.377 30 10 JEEE CC(C)(C)N1C[C@@H](C(=O)[C@H](C#N)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)CC1=O 916948838 IDDKKQVQJRMGDN-LPHOPBHVSA-N 474.583 2.156 30 10 JEEE COC(=O)[C@H](C)NC(=O)c1ccc(F)cc1NC(=O)C1CCN(c2oc(C)nc2C#N)CC1 1127308718 BGICEGUKIRQWPS-LBPRGKRZSA-N 457.462 2.140 30 10 JEEE C=CCOC[C@@H](NC(=O)C1(NS(=O)(=O)c2ccc(Cl)cc2)CCCCC1)C(=O)OC 1155778994 CSLKTAUZVKXXII-QGZVFWFLSA-N 458.964 2.182 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@](O)(c1ccccc1)C(F)(F)F 1286299734 YMGULISBHNLMTO-DOXZYTNZSA-N 456.490 2.088 30 10 JEEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H](C(C)C)N1CCOCC1 1286369272 JZIPGLXZGDISLW-OAQYLSRUSA-N 463.586 2.101 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccccc1COCCC)[C@@H]1CCS(=O)(=O)C1 1286392673 JFMGIDCBDJPVDD-FCHUYYIVSA-N 472.611 2.384 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC[C@H](C)N(C)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1286392693 JKEFMZALVBVSGE-MDNUFGMLSA-N 485.654 2.319 30 10 JEEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1C[C@@H](C1CC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1286392829 CLCODYJYOZBMBW-GGAORHGYSA-N 485.654 2.441 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H](c1ccc(C)o1)N1CCOCC1 1286433559 WQIBDLHZFGYCJI-ZDXQCDESSA-N 481.597 2.440 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(C)n2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1286462833 XNTMMYFWEVEWHJ-LJQANCHMSA-N 466.508 2.388 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 1286467677 SOAAYQDGQNMMHI-FPOVZHCZSA-N 453.543 2.034 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccn3C)n2C[C@H]2CCC[C@H](O)C2)n1 1286470881 DKUNNTXMPJMRHN-FPOVZHCZSA-N 451.575 2.317 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2ccc(C)cc2C)CC1 1286492501 HGLLPUZWUCPHEP-QFIPXVFZSA-N 483.638 2.006 30 10 JEEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1286500864 FUQWDLKMNNQTND-KRWDZBQOSA-N 481.047 2.364 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CN2CCC(C)CC2)C1 1286509297 OMKVBIKJXUGXEY-SFTDATJTSA-N 479.716 2.495 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)CNC(=O)OC(C)(C)C 1286522069 GKVOQKGDTKDRQC-PNLZDCPESA-N 465.620 2.333 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1286550968 KHWULCJUBPKDIL-HKBOAZHASA-N 470.599 2.316 30 10 JEEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(c2cccnn2)CC1 1286630980 XNPMTWNLNUIVDM-KRWDZBQOSA-N 490.996 2.456 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(C)n(C)c1=O 1286742197 HIRUKKWQGKGADS-SFHVURJKSA-N 495.609 2.008 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCCN(c2nccs2)CC1 1286792115 MPKXZSTWHXPRAX-UHFFFAOYSA-N 471.562 2.472 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1Cc2cccc3c2[C@@H](CCC3)C1 1286814342 QBTNKUBCWJIJDE-IBGZPJMESA-N 457.600 2.457 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@](C)(C(N)=O)C1 1286822187 AFUJBNXFZGSCLO-DEOSSOPVSA-N 489.642 2.457 30 10 JEEE CC(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCOC[C@@H]2CCCO2)CC1 1286864133 LPEDVSFRJMVYGY-QFIPXVFZSA-N 452.559 2.461 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@]2(C)CCCS2)c1 1300331894 UAQAAHNYSBADBN-OPAMFIHVSA-N 490.655 2.230 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2C[C@@H]2CCCN2CCCO)c1 1300332822 PEIGQHHGUXXHKB-QFIPXVFZSA-N 473.581 2.243 30 10 JEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(Cc2cc(C)on2)CC1 1300391159 HWVTVAFXWDLSPA-UHFFFAOYSA-N 468.583 2.381 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccc3C)n2CC2(O)CCOCC2)n1 1300680961 HTLDQABEUNQTIX-UHFFFAOYSA-N 464.570 2.278 30 10 JEEE C#CCN1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2Cc2snnc2C)CC1 1300700954 YZTKUEACUCDWQG-UHFFFAOYSA-N 486.646 2.356 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CC2CCN(CC(F)(F)F)CC2)CC1 1300729421 ZFGKETIYKZBLKG-UHFFFAOYSA-N 466.552 2.471 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CC(=O)Nc2c(C)cccc2C)CC1 1300732217 ZIQFHELKRKDHQL-UHFFFAOYSA-N 452.559 2.036 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N(C)CCN2CCOCC2)nnc1[C@@]1(OC(C)C)CCOC1 1300897467 RVIYWCGNUDAPKT-AWRGLXIESA-N 463.623 2.068 30 10 JEEE C=C(Cl)Cn1c(-c2cc(Br)cn2C)nnc1N1CCN(C(=O)COC)CC1 1301019254 RUQWJHJDUMGFQA-UHFFFAOYSA-N 457.760 2.094 30 10 JEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC[C@@H]1CCCCO1)C1CC1 1301326574 CISRXTOSZKSUMJ-RBUKOAKNSA-N 453.609 2.115 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCS[C@H](C(C)C)C1 1301484754 MPKMPSRTTVYAEN-IBGZPJMESA-N 492.671 2.075 30 10 JEEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(F)(F)Br)CC1 1301760170 RHLQKCQPPIRPHW-UHFFFAOYSA-N 469.290 2.385 30 10 JEEE CC1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)N2CCOCC2)CCO1 1303978057 GLRVJVPXFGLCMN-UHFFFAOYSA-N 454.575 2.455 30 10 JEEE CCCN1CCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1313446632 DIXJICQCEBXOJA-LEWJYISDSA-N 471.631 2.209 30 10 JEEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CCSc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1358956100 AFYUJVATLWSLCS-AUSIDOKSSA-N 490.651 2.349 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1CC1CCN(CC(F)(F)F)CC1)[C@@H]1CCS(=O)(=O)C1 1358961278 VRRCNXWNDKODOC-GOSISDBHSA-N 498.575 2.185 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CC1(N(C)C)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1358964929 KFTRKEBSOZIHOM-OAQYLSRUSA-N 470.643 2.155 30 10 JEEE C#CCN(c1nnc(CCOc2ccccc2)n1Cc1occc1C)[C@H]1CCS(=O)(=O)C1 1358966734 VUIAGEDDMOGXJR-IBGZPJMESA-N 454.552 2.476 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1358967728 QRWFZIJCGPTJFW-GBESFXJTSA-N 493.630 2.156 30 10 JEEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1CC1(NC(=O)OC(C)(C)C)COC1 1359013072 JYGGEOJHNZTEQA-UHFFFAOYSA-N 474.587 2.023 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCC[C@H](C)C1 1359025127 DKZBZQWQUXEMCA-SFTDATJTSA-N 490.649 2.404 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2nnc(C(C)(C)C)s2)CC1 1359030407 VQXVPPVBXQUUOP-QHCPKHFHSA-N 473.647 2.271 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2C[C@@H](C(C)C)N2CCOCC2)CC1 1359033563 HBKKXYXOSRPPSD-QFIPXVFZSA-N 452.603 2.066 30 10 JEEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CCC(=O)NC2CCCCC2)CC1 1359037278 CQIMGHGUXCVQDS-UHFFFAOYSA-N 455.632 2.228 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CC(=O)NC2CCCCC2)CC1 1359045628 OAQBTXNSXZVLSL-UHFFFAOYSA-N 480.588 2.423 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2CC2(COC)CCC2)CC1 1359047181 VGZXDBRTPYFWLH-UHFFFAOYSA-N 484.626 2.052 30 10 JEEE C#CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1359053040 ZEBPLUAIKQNJKN-UHFFFAOYSA-N 477.594 2.141 30 10 JEEE C=C(C)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1359123415 IBNDKUULQRQQRK-QFIPXVFZSA-N 489.642 2.279 30 10 JEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCN([C@H](C)c2nc(C(C)C)no2)CC1 1359126791 ZCTHEUUKSBMODX-LJQANCHMSA-N 486.621 2.496 30 10 JEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](CC(C)C)NC(=O)OCC)CC1 1359159392 VITSAOJBEMTWEP-IAGOWNOFSA-N 456.613 2.206 30 10 JEEE C=CC[C@@H](Cn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1)c1ccccc1 1359196197 ZBZFXVRGLHKDSY-VXKWHMMOSA-N 480.613 2.315 30 10 JEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 1359216336 USOYWMHVEHWIJM-ZWKOTPCHSA-N 498.650 2.071 30 10 JEEE C=CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(N(C)C(=O)OCC)CC1 1359286444 QPSSRLWXIDSHOR-UHFFFAOYSA-N 461.592 2.481 30 10 JEEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1359287757 UJKUQGHNUPWLKS-LJQANCHMSA-N 480.573 2.366 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CC(=O)N(C)C[C@H]1C 1359296244 BXLIKXUSVNXCHU-GOSISDBHSA-N 454.575 2.339 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N1CCSCC1 1359327648 HFPRSZFPFOWCJI-UHFFFAOYSA-N 460.423 2.200 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(O)(C(F)(F)F)CC1 1359329531 LPADLCMOMVKXJO-UHFFFAOYSA-N 469.489 2.311 30 10 JEEE C=CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@@](C)(C(=O)NC)C1 1359340945 GIZKGXPYXDFLFX-JOCHJYFZSA-N 453.572 2.476 30 10 JEEE CC(=O)NC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCCC2(C)C)CCO1 1359446719 HKTSIEBBOIBMEX-GBXCKJPGSA-N 452.559 2.099 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@H](O)c2ccccc2Br)s1 1451415709 DJILULPXUXPECF-HNNXBMFYSA-N 459.387 2.367 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2[nH]c(C)c(C)c2c1 1507539315 UMSBFDSPTARXRK-QVKFZJNVSA-N 470.599 2.215 30 10 JEEE C#CCCCn1c(N2CCN(C(=O)[C@@H]3CCCO3)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1507598469 FZMLTLCTEFJLAX-ZCNNSNEGSA-N 486.617 2.290 30 10 JEEE C#CCN(c1nnc(-c2cccc(Br)c2)n1C[C@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1507626302 NJNDGYQRZQAXOG-FXAWDEMLSA-N 481.416 2.495 30 10 JEEE C#CCN(c1nnc(C2CC2)n1C[C@H](CC)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1507630792 HRZSHKJPHIOCBB-DLBZAZTESA-N 451.593 2.086 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@]1(N(C)C)CCSC1 1507664557 ARGYGBCVNYTERZ-QHCPKHFHSA-N 485.683 2.138 30 10 JEEE C#CCN(CC#CC)c1nnc(COc2ccc(Cl)cc2)n1CCC(=O)N1CCOCC1 1507675729 HQCPFUAYDUTGDM-UHFFFAOYSA-N 455.946 2.222 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2Cc2ccc(C)nc2)CC1 1507715547 CUVSNKCBTOAFGL-UHFFFAOYSA-N 463.973 2.368 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2ccc(N(C)C)nc2)CC1 1507718897 VCFKFGGPDMGKIX-UHFFFAOYSA-N 469.391 2.300 30 10 JEEE C=C(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1507825409 WHYPNPLDUQFOHP-GOSISDBHSA-N 471.558 2.375 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC=C(Br)C1 1508072160 HVTMKQNEIQSKGH-UHFFFAOYSA-N 480.388 2.140 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1508075978 CLAZCAWPGJXUDF-UHFFFAOYSA-N 476.541 2.440 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)N2CCc3ccccc3C2)C1 1508109777 NYXMGLRDYYFYLW-XQBPLPMBSA-N 488.658 2.116 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@@H](CC)C1 1508135294 HKRWBORXPONELQ-INIZCTEOSA-N 450.561 2.178 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1508144647 RGAILMHNJZHZDO-KRWDZBQOSA-N 486.598 2.228 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CCC(F)(F)C1)[C@H]1CCS(=O)(=O)C1 1539203000 MLBXUVUWCREKQW-WBVHZDCISA-N 471.574 2.259 30 10 JEEE C#CCN(c1nnc(COc2ccccc2OC)n1CC[C@@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1539230851 MAYWZNYESCKQLA-PMACEKPBSA-N 488.610 2.452 30 10 JEEE C#CCN(CC#C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1539238819 CLFUBQYFCADYKG-ROUUACIJSA-N 476.002 2.426 30 10 JEEE C#CCN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1539345127 QBLAPDASCOXBEW-CPJSRVTESA-N 468.602 2.447 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@H]1COCCO1 1539405595 FJETZJOYKBDUGB-INIZCTEOSA-N 465.348 2.218 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CC(C)(C)C(F)(F)F)CC1 1539436129 KJHKSKZKIAXDMT-UHFFFAOYSA-N 459.480 2.265 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCc2ccc(OC)cc2)CC1 1539467247 QBYGLCIVVDRQNB-UHFFFAOYSA-N 487.564 2.143 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2CC=CCO2)CC1 1539470182 LGTMPQZDVBSOTR-QGZVFWFLSA-N 473.375 2.347 30 10 JEEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC2(CC1)OC(=O)NC21CCC1 1539952817 KCKCFKGIAVGGEO-INIZCTEOSA-N 466.608 2.246 30 10 JEEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](OCCOC)C1 1540858357 SZWNFUNWHOIQJK-QZTJIDSGSA-N 451.568 2.404 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2Cc2ncn(C)n2)C1 1540890294 CEXQIZAEBVNQDQ-ROUUACIJSA-N 472.594 2.351 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC(NC(C)=O)CC1 1540898319 GRFPMQMVEWNDOE-UHFFFAOYSA-N 483.541 2.252 30 10 JEEE CC(C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@]2(CCO[C@@H]2C)C1 1544721543 BYOAJKLDIZKEKR-QZTZHPFYSA-N 452.559 2.362 30 10 JEEE N#Cc1ccc(N2CCC3(CC2)C[C@@H](C(N)=O)N(C(=O)Cn2cccn2)C3)cc1C(F)(F)F 1548379519 DAJYEEJOIBIPBD-SFHVURJKSA-N 460.460 2.147 30 10 JEEE CN(C)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](c2ccsc2)N(C)C)CC1 1552738334 AVWNPQGTODQNOR-QFIPXVFZSA-N 492.653 2.391 30 10 JEEE C#CCSCCNC(=O)N1CCC[C@H](CNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)C1 1564114828 ZHBMHCVOMKRNSI-QZTJIDSGSA-N 452.621 2.290 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)C[C@@]2(O)CCCN(C(=O)OC(C)(C)C)C2)C1 1567387558 CPRMXEAMOCBDTK-DMPWYTOCSA-N 452.552 2.014 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCO[C@@H]1c1ccccc1 1587638475 FMPDUJZLNFLZGC-WSWWRLHASA-N 487.626 2.237 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2C[C@@H](N2CCOCC2)C(F)(F)F)c1 1587697012 HIZZZXAKFNEXJV-LJQANCHMSA-N 494.518 2.134 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCn1cc(C)cn1)[C@H]1CCS(=O)(=O)C1 1588029409 HMNPYVIQXKPLEN-QUCCMNQESA-N 486.573 2.389 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCc1csc(C(C)(C)C)n1)[C@H]1CCS(=O)(=O)C1 1588054301 NEAIFVFLKRXDBD-AEFFLSMTSA-N 477.656 2.405 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)N2CCCC2)n1CCC1(O)CCOCC1 1588473489 NPLJFKTVWHXASI-UHFFFAOYSA-N 455.534 2.225 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC2CCN(CCC)CC2)CC1 1588750522 DSKVIAACYDKKKV-VWLOTQADSA-N 458.651 2.196 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)N(C)CC 1589663413 NCUUUBQYQLQHHQ-QGZVFWFLSA-N 450.584 2.467 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1595516542 GPAMOCSIAZKMTO-UHFFFAOYSA-N 462.945 2.494 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCN2C(=O)OC[C@H]2C1 1595576870 AASVBKGTCUGEDO-GOSISDBHSA-N 468.558 2.232 30 10 JEEE C=CCOc1ccc(Cn2c(COCC)nnc2N2CCC[C@H](N3CCCS3(=O)=O)C2)cc1 1595640529 ZFLSJVNROWMFCW-FQEVSTJZSA-N 475.615 2.432 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](CC(N)=O)C1 1595766628 UZTCFGKIVLPSHW-HNNXBMFYSA-N 451.980 2.291 30 10 JEEE CO[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](N2CCOCC2)C(F)(F)F)C1 1620142144 FEZCGQIDJQOXGI-OALUTQOASA-N 480.491 2.217 30 10 JEEE CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cc1 1624812878 ANHAIPMBGNODKU-YXJHDRRASA-N 450.561 2.252 30 10 JEEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NCCNS(=O)(=O)NC(C)C 1634214741 WVQZEIHJHOOELJ-UHFFFAOYSA-N 451.362 2.118 30 10 JEEE C=CCn1c(SCC(=O)N2C[C@]3(C)C(=O)NC(=O)[C@@]3(C)C2)nnc1-c1ccc(Cl)cc1 1635368453 OLAXGALHNLTMRW-NHCUHLMSSA-N 459.959 2.388 30 10 JEEE C#CC[C@@H](CO)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)OCC1c2ccccc2-c2ccccc21 1636838719 IVSOBGUCQHEFNV-BXKMTCNYSA-N 458.518 2.360 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1cc(C(C)(C)C)no1)[C@H]1CCS(=O)(=O)C1 1689992724 OGZADUOYQUZIEH-SFHVURJKSA-N 468.583 2.224 30 10 JEEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1690163711 OGBUOWGAHRMWEO-UHFFFAOYSA-N 474.034 2.104 30 10 JEEE C=C(Br)Cn1c(-c2cnccn2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1690225992 SKYRYCSSJDPTRA-KXBFYZLASA-N 489.422 2.023 30 10 JEEE C=C(Br)Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1690232180 BHBJNWAQAGVXII-SJORKVTESA-N 451.369 2.433 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2noc3c2COCC3)nnc1N(C)CCNC(=O)C(C)C 1690245777 MXBQYKAXPJIEGV-OXJNMPFZSA-N 458.563 2.195 30 10 JEEE C=C(Cl)Cn1c(N2CCc3nn(C)c(=O)cc3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1690358891 NFDWMWYZQIDVJE-FZNQNYSPSA-N 475.981 2.458 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1690432916 OGKFXJPDPJCPCU-RTBURBONSA-N 462.620 2.193 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC(CN2CCOCC2)CC1 1690675653 ARWQIUIMXCPMKH-UHFFFAOYSA-N 489.020 2.361 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CC1CC(F)(F)C1 1692862478 FNPMWWKILJIWMJ-KBXCAEBGSA-N 480.541 2.383 30 10 JEEE COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nccc(C(F)F)n2)CC1 1697074813 GGOOPIBHDXYPFT-UHFFFAOYSA-N 454.441 2.481 30 10 JEEE CS[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1698344804 IDEJXYHQDJMJNZ-KRWDZBQOSA-N 492.609 2.301 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@@H](C)CN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1705563739 DMQWDNRFURPLAF-VQTJNVASSA-N 471.627 2.312 30 10 JEEE C#CCN(c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H](CC)OC)[C@H]1CCS(=O)(=O)C1 1705567633 ZJOMZRPSBQMDPX-SFTDATJTSA-N 468.583 2.183 30 10 JEEE C#CCN(c1nnc(COCC)n1Cc1coc(-c2cccs2)n1)[C@H]1CCS(=O)(=O)C1 1705568956 XKGXOOQGYDEPKM-INIZCTEOSA-N 461.569 2.206 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCOc2c(C)cccc2C)CC1 1705651283 QMRGQYHCSYUCKE-UHFFFAOYSA-N 478.597 2.062 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)c(OC)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1705671561 OQXLSWAZIQAESM-KFXXGIBVSA-N 476.537 2.481 30 10 JEEE C=C(C)COCCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1705738655 FSSASLQEFWMERJ-MRXNPFEDSA-N 486.527 2.272 30 10 JEEE C=CC[C@@H](Cn1c(COCC)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1)c1ccccc1 1705798538 UQSXOBANMJEVCF-QFIPXVFZSA-N 480.613 2.446 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@H](OC)C(C)(C)C1 1705929904 ADHYQOUWVMGNKH-SFHVURJKSA-N 496.033 2.324 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(F)ccc2Br)nnc1N(C)[C@H](C)CC(N)=O 1705931067 DNXDMNKBGUYKBX-GFCCVEGCSA-N 488.383 2.148 30 10 JEEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@](C)(O)c2ccc(F)cc2)C1 1706934697 DXJAMYPNGJEJFD-NPFVIJTESA-N 461.563 2.357 30 10 JEEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccccc1CN1CCC[C@@H]1CO 1722343360 GVHZODYJTPCMOS-BVAGGSTKSA-N 467.614 2.393 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1CCN1CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1722359201 JLFSVZNXYSKXTP-ICSRJNTNSA-N 487.626 2.073 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CC1(CCOC)CC1)[C@H]1CCS(=O)(=O)C1 1722363478 UKDLOQZRMQNSKI-KRWDZBQOSA-N 463.991 2.437 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H](C)OC)[C@H]1CCS(=O)(=O)C1 1722363821 VVNJAYVCIITCIH-ZBFHGGJFSA-N 452.964 2.269 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1CCCCSC)[C@H]1CCS(=O)(=O)C1 1722364387 ZLFCOBIXWBQSHA-KRWDZBQOSA-N 462.597 2.444 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCCN1CCCCC1=O)[C@@H]1CCS(=O)(=O)C1 1722367719 XIAJTYCRFPKPOU-OAQYLSRUSA-N 487.601 2.037 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCNC(=O)c1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1722369027 VBEOLSWXODDIFU-NRFANRHFSA-N 492.605 2.014 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2CCCCC2)n1 1722428929 CXSZSBOPSURJDP-HXUWFJFHSA-N 474.631 2.243 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cccc(N(C)C)c2)CC1 1722580715 FTOIIWFKKZECCB-NRFANRHFSA-N 474.631 2.128 30 10 JEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1722686138 RKABLNUMTVAIDJ-MOPGFXCFSA-N 489.621 2.355 30 10 JEEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCN(c2ncc(F)cn2)CC1 1722689700 XHHLQHMUBJKEBP-HXUWFJFHSA-N 464.549 2.378 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCc2c(F)ccc(F)c2C1 1722690512 JRBHLLCUQLHSEW-UHFFFAOYSA-N 453.453 2.069 30 10 JEEE CC(C)CCN(CCC#N)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@]1(O)CCO[C@H]1C 1723419106 CAAGQIWWUDSVKD-AVRWGWEMSA-N 479.585 2.498 30 10 JEEE CN(C)S(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CCc2cccs2)CC1 1729342489 DTWOUOBLHADBHP-UHFFFAOYSA-N 499.666 2.134 30 10 JEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1740567102 NVMAEDSMFZVYOH-QGZVFWFLSA-N 473.578 2.029 30 10 JEEE C#CCN(C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@]1(N2CCOCC2)CCSC1 1740605831 XMRIKYHYSBXLOX-HSZRJFAPSA-N 457.600 2.240 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCc1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 1740625716 HSQNVEVWQGCMQM-UXHICEINSA-N 458.584 2.050 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1CCc1nccs1)[C@H]1CCS(=O)(=O)C1 1740628411 QBSOFNPJKWUXLB-SFHVURJKSA-N 471.608 2.491 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H]1CCCCN1CCCC)[C@H]1CCS(=O)(=O)C1 1740628800 UOILQWWHMBAVGJ-QHAWAJNXSA-N 463.648 2.411 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)Nc2ccccn2)n1CC(C)(C)C(=O)NC 1740675476 DFBGWZXBMZMAII-UHFFFAOYSA-N 463.517 2.477 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2CCCNC(=O)c2occc2C)CC1 1740696912 KPVNNJPIYYZWLB-UHFFFAOYSA-N 464.545 2.485 30 10 JEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N(CCO)Cc1cc(Br)ccc1F 1740715948 IDWSGEJJYNVBHT-QGZVFWFLSA-N 496.406 2.496 30 10 JEEE C#CCSCCn1c(N2CCN(C3CC3)C(=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740724106 XMYXWPLCYLIXNO-CALCHBBNSA-N 474.631 2.226 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC(OCC(N)=O)CC1 1740755711 LFKKZJIEKMJTJW-JPYJTQIMSA-N 485.585 2.414 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1740795125 OMXGAJWYIWCECW-QZTJIDSGSA-N 451.568 2.105 30 10 JEEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2ccco2)C1 1740863375 WHHKUCKCXCEVET-RBUKOAKNSA-N 465.576 2.138 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1740957106 BJXPZPRERVAWSU-FQEVSTJZSA-N 490.612 2.422 30 10 JEEE CC(=O)N1CC[C@@H](CN(C)c2nnc(COc3ccc(C#N)cc3)n2CC[C@H]2CCOC2)C1 1741034547 RZXYOQSMWLLCHQ-SFTDATJTSA-N 452.559 2.460 30 10 JEEE CCn1cccc(Cn2c(-c3cccc(C#N)c3)nnc2N(C)C[C@@H]2CCN(C(C)=O)C2)c1=O 1746358350 CMJGHXXEDQVDOH-FQEVSTJZSA-N 459.554 2.351 30 10 JEEE CN(Cc1ccon1)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCS(=O)(=O)C1 1747810327 FPLIHTCEUGTMNU-QGZVFWFLSA-N 456.528 2.178 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CC3)n2CCN2CCN(C)C(C)(C)C2)c1 1748694753 NCQGRPWHVBFGTF-UHFFFAOYSA-N 463.630 2.313 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H](C)SC)[C@@H]1CCS(=O)(=O)C1 1748808679 FYJBCGJHXYNOKC-DOTOQJQBSA-N 462.597 2.095 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H](C(CC)CC)N(C)C)[C@@H]1CCS(=O)(=O)C1 1748811882 NFUMEPKFADLTIV-CTNGQTDRSA-N 458.632 2.333 30 10 JEEE C#CCN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H](C)CN1CCOCC1 1748906902 ZLXKLDQVXUSYCE-SFHVURJKSA-N 458.994 2.289 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccnc(OC2CCCCC2)c1 1748962238 CQJDFSHEDYDXQL-HXUWFJFHSA-N 487.626 2.421 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2Cc2nnc(C)s2)CC1 1749003536 MQBCEYLPHFMZQA-UHFFFAOYSA-N 481.582 2.136 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCCNC(C)=O)CC1 1749006162 JOUPVHIDGGRLAP-UHFFFAOYSA-N 460.941 2.230 30 10 JEEE C=C(Br)Cn1c(-c2noc3c2COCC3)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1749098164 QXQIFHFTFCCRRH-CYBMUJFWSA-N 486.392 2.318 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(N(CC)CC)CC1 1749129960 IVWFIQUBMJFJKR-ZVDOUQERSA-N 465.664 2.472 30 10 JEEE CO[C@@H]1CCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1749156116 HVKXVZBESSOZSK-PZJWPPBQSA-N 472.615 2.492 30 10 JEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 1749226982 WLCDLLILMQXUNW-CZTZKLFOSA-N 470.622 2.075 30 10 JEEE C=C(C)COCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN2C(=O)NC[C@H]2C1 1749230036 SZKPTMUHYACSRQ-OALUTQOASA-N 489.621 2.199 30 10 JEEE C=C1CCN(c2nnc(-c3cc(Br)cn3C)n2CCC(=O)N2CCOCC2)CC1 1749287929 GTEZURQUECJOCY-UHFFFAOYSA-N 463.380 2.451 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ccc(C)cc1)C1CC1 1749519235 HDTBZGWIVXSAKZ-FQEVSTJZSA-N 461.588 2.153 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1CCC[C@H]1c1nncn1C 1749681412 AJDGQXPLWWARPL-INIZCTEOSA-N 468.587 2.351 30 10 JEEE C=CCNC(=O)Cn1c(N2CCO[C@@H](c3ccccc3C)C2)nnc1[C@]1(OCC)CCOC1 1749681901 KHKZFYMGIPDQIY-YKSBVNFPSA-N 455.559 2.119 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CCC(O)(C(F)(F)F)CC1 1749735844 BNQGTTRUQUGESN-UHFFFAOYSA-N 488.532 2.372 30 10 JEEE C[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(C#N)C1)Oc1ccccc1 1751142584 FLODBZWOPAFMFE-RFWXGWTQSA-N 488.614 2.209 30 10 JEEE C[C@H](Oc1ccccc1F)c1nnc(N2CCO[C@H](C#N)C2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1751270551 AQFNAKUFKDVUFV-QKNQBKEWSA-N 499.591 2.229 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1760126845 KIEKVYJMUCIKRS-PFUTUXKYSA-N 483.573 2.033 30 10 JEEE C#CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@](C)(C(=O)NC)C1 1760134852 AKADFLLFWQAWRM-QFIPXVFZSA-N 457.604 2.004 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCCO[C@H]1C(C)C)[C@H]1CCS(=O)(=O)C1 1760180811 LHTCQEWLVUXODS-CIEVZJJWSA-N 494.658 2.008 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 1760242359 AMSFSLLAMJFRBO-UHFFFAOYSA-N 460.579 2.070 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](CC)N1CCc2ccccc2C1 1760248362 JXRZCAWVPCZVAK-FGZHOGPDSA-N 450.587 2.152 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C(N)=O)CC1 1760324581 LFLJJRQOZUHSIX-SIKLNZKXSA-N 450.543 2.412 30 10 JEEE C=C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2Cc2cnn(C)c2C)CC1 1760384124 KVZWGBHEEDUTIH-UHFFFAOYSA-N 455.588 2.442 30 10 JEEE C=C1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCCS(C)(=O)=O)CC1 1760389582 OCCLMQIVTVSWBK-KRWDZBQOSA-N 469.608 2.178 30 10 JEEE C=CC[C@H](Cn1c(N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)nnc1C(C)(C)C)c1ccccc1 1760420106 IZFNWNTUFNBLJN-HXUWFJFHSA-N 492.628 2.402 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCCN(CCC)C(=O)C1 1760552581 SWOUUFFCNKXCTF-UHFFFAOYSA-N 484.626 2.486 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CC[C@]2(CCCOC2)C1 1760556818 QYJJVJSCCUYJGF-HXUWFJFHSA-N 451.618 2.242 30 10 JEEE CC(C)n1nc(-c2nnc(N3CCC(C#N)CC3)n2CCC(=O)N(C)C)c2ccccc2c1=O 1761192349 AWDIFBSTADDLIV-UHFFFAOYSA-N 462.558 2.454 30 10 JEEE CC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1)OC 1762343150 BVQPIMAJFNUBSQ-UWJYYQICSA-N 451.575 2.031 30 10 JEEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2csc(C)n2)C1 1765671644 GVPCLTNYIQKMGB-LJQANCHMSA-N 471.612 2.342 30 10 JEEE CCCNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1766222429 GOCUXRLIOOYRMM-UHFFFAOYSA-N 478.601 2.459 30 10 JEEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1CCc1nnc2n1CCCCC2 1767571401 HLTIPPBNIFXBIO-QGZVFWFLSA-N 461.574 2.196 30 10 JEEE CNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCC[C@H](O)C2)CC1 1767699089 GHDWKVFUUFQDES-QUCCMNQESA-N 452.559 2.242 30 10 JEEE COC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCS(=O)(=O)C2)C1 1767869045 HVNBWAXHCHRFLH-MJGOQNOKSA-N 457.556 2.031 30 10 JEEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCNC(C)=O)[C@@H]2c2cc(OC)c(OC)c(OC)c2)c1 1862709555 YRUGXCOEBGPMIK-OAQYLSRUSA-N 484.505 2.435 30 10 JEEE COc1ccc(OC)c(C2=C(Nc3ccccc3C#N)C(=O)N(CCN3CCOCC3)C2=O)c1 1863380688 LMFYBEYVTLSTNO-UHFFFAOYSA-N 462.506 2.100 30 10 JEEE N#Cc1nnn(-c2ccc(I)cc2)c1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 1870097951 GDCDLCQAIKOBLW-UHFFFAOYSA-N 496.246 2.453 30 10 JEEE CCOc1ccc(-n2nnc(C#N)c2NC(=O)CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 1870155225 CHJFJBHHXUWVSU-UHFFFAOYSA-N 475.421 2.071 30 10 JEEE C#CCOc1cn(Cc2ccc(S(N)(=O)=O)cc2)c(CNc2cccc(OC)c2)cc1=O 1871008238 NNQKXXFDYNOYTC-UHFFFAOYSA-N 453.520 2.177 30 10 JEEE C=CCNC(=O)C1CCN(C(=O)[C@@H]2CC(=O)N(C[C@@H](c3ccccc3)N3CCCC3)C2)CC1 1872941463 NJGVDXFJVUYDEM-PKTZIBPZSA-N 452.599 2.213 30 10 JEEE COc1cc(/C=N/Nc2cnn([C@@H]3CCS(=O)(=O)C3)c(=O)c2Cl)cc(Br)c1O 1873528755 GRLNCZAVEGRJOY-GFKCFBEASA-N 491.751 2.179 30 10 JEEE C=CCn1c(C(=O)NCCNC(C)=O)cc2c(N3CCN(c4ccccc4Cl)CC3)ncnc21 1873595165 RKTJCSIJJZIRGZ-UHFFFAOYSA-N 481.988 2.463 30 10 JEEE CC[C@@H](C#N)C(=O)Nc1c(I)nc(C)nc1I 2008827038 NUCUTXIGNPHZRK-LURJTMIESA-N 456.025 2.483 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CO)CNC(=O)c1cc(Cl)ccc1B1OC(C)(C)C(C)(C)O1 2255544722 DOBOZTYLAXHMMM-CQSZACIVSA-N 454.760 2.255 30 10 JEEE CN(C(=O)OC(C)(C)C)C1CN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2255799715 MVHQMVRMKDZZEQ-UHFFFAOYSA-N 472.438 2.428 30 10 JEEE CC(C)(C)OC(=O)N1CCC(O)(CNC(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)CC1 2267006062 KVYCRUHIKBCNQW-UHFFFAOYSA-N 450.341 2.071 30 10 JEEE CC(C)(C)OC(=O)N1CC(CO)(NC(=O)c2ccc(Cl)cc2B2OC(C)(C)C(C)(C)O2)C1 2267011113 YZVHNVDIYQCPEA-UHFFFAOYSA-N 466.771 2.351 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CN(C(=O)c2ccsc2B2OC(C)(C)C(C)(C)O2)CC[C@H]1CO 2267167457 GOCYAZNSRDRKTE-HOCLYGCPSA-N 466.409 2.395 30 10 JEEE C[C@@H](CCCNS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1)NC(=O)OC(C)(C)C 2267378951 UKJROAGMLSGKPI-HNNXBMFYSA-N 469.413 2.353 30 10 JEEE CC(C)(C)OC(=O)N1CC(F)(CNS(=O)(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267379513 YXEWENVQPLUYHN-UHFFFAOYSA-N 470.372 2.223 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1CNS(=O)(=O)c1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2267468769 MUENTBURHAJPIH-CXAGYDPISA-N 470.372 2.316 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F)C(C)(C)O 2268720118 PZCAKXKAXXCARW-AWEZNQCLSA-N 453.320 2.123 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCc2cncc(NC(=O)OC(C)(C)C)c2)n1 2282053756 XDFAAOKLCRCPRV-UHFFFAOYSA-N 457.340 2.391 30 10 JEEE C[C@@H]1CCC[C@@H](CNC(=O)OC(C)(C)C)N1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282173067 DTVWPPGCHHBKFZ-CABCVRRESA-N 463.388 2.022 30 10 JEEE CCN([C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282333666 RHQFUDCVLWLOMR-IBGZPJMESA-N 474.436 2.004 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@H]2[C@H]1[C@@H]2NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282503560 BVOLHQXXHAVWDS-BMFZPTHFSA-N 499.464 2.260 30 10 JEEE CCn1cc(C(=O)N=[S@@](C)(=O)CCN(C)C(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2282536120 YGVZIRALBUPQCL-XIFFEERXSA-N 484.428 2.307 30 10 JEEE COc1ccc(S(=O)(=O)N(C)C2CN(C(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2282877800 XBRYZZPTXDGVSN-UHFFFAOYSA-N 482.408 2.234 30 10 JEEE C[C@@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2O)C[C@H]1NC(=O)C(F)(F)F 2282979961 HQHWZAIJZILFEI-IUODEOHRSA-N 456.270 2.221 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2283072225 NJWAPZVTWLJECJ-MUJYYYPQSA-N 458.368 2.436 30 10 JEEE CC1=C(B2OC(C)(C)C(C)(C)O2)CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C2CS(=O)(=O)C2)C1 2284043507 ZAJWUYQGCWOQOZ-KRWDZBQOSA-N 484.424 2.105 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1NC(=O)[C@@H](CN(C)C)NC(=O)OC(C)(C)C 2284068840 IZUDSRLRHDTRNK-QGZVFWFLSA-N 463.384 2.388 30 10 JEEE COC(=O)[C@]1(N2CCOCC2)C(=C(O)c2ccc(Cl)cc2)C(=O)C(=O)N1c1ccccc1 2296091414 OBSCKFPKXBTPHG-QHCPKHFHSA-N 456.882 2.427 30 10 JEEE Cc1ccc(CNC(=O)[C@]2(NC(=O)OC(C)(C)C)C[C@@H](O)C2)cc1B1OC(C)(C)C(C)(C)O1 2296181068 VOKFHINPAQUUPW-SMQSCJQKSA-N 460.380 2.329 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)OCc1ccccc1 2334262690 IZJGPSQKNKLBCY-YSIASYRMSA-N 480.374 2.342 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1CC(C)(C)CN1C(=O)OC(C)(C)C 2362356165 OOKVKGYPBZLYDJ-OAHLLOKOSA-N 462.400 2.485 30 10 JEEE COc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2sc3c(c2C#N)CCN(C(C)=O)C3)cc1 8927860 AENFKUFAQWPYGW-IBGZPJMESA-N 488.591 2.325 30 10 JEEE COC(=O)c1sc(NC(=O)c2ccc(S(=O)(=O)N(CCC#N)CCC#N)cc2)nc1C 9472155 YHMMHZZLYWZXLY-UHFFFAOYSA-N 461.525 2.308 30 10 JEEE COc1ccccc1NC(=O)CSc1nnc(N/N=C/c2cc(OC)c(OC)c(OC)c2)n1N 20827134 DEWAVIIDDLFQPT-FOKLQQMPSA-N 487.542 2.203 30 10 JEEE COCCSc1nnc(NC(=O)CSc2n[nH]c(N/N=C(\C)c3ccncc3)n2)s1 21082369 GWGXMXWOXFZNLZ-KEBDBYFISA-N 465.590 2.357 30 10 JEEE COc1ccc(CNC(=O)CSc2nnc(N/N=C/c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)[nH]2)cc1 253579445 ZQNKYSGPOCOPOE-UFFVCSGVSA-N 486.470 2.484 30 10 JEEE CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NCc2ccc(C#N)cc2F)c1 609229197 YPKIEXWDQUCMTN-UHFFFAOYSA-N 474.558 2.494 30 10 JEEE COCCn1cc(C=NNc2nc(SCCC(=O)Nc3ccc([N+](=O)[O-])cc3)n[nH]2)cn1 1083844312 CKPHSNWEYLKQST-UHFFFAOYSA-N 459.492 2.123 30 10 JEEE COc1ccc(CCNC(=O)CSc2n[nH]c(NN=Cc3cnn(C(C)C)c3)n2)cc1OC 1083997996 OFUQRKQSAFDIEX-UHFFFAOYSA-N 472.575 2.496 30 10 JEEE COc1ccc(C=NNc2nc(SCC(=O)NCc3nnc(C(C)C)o3)n[nH]2)cc1OC 1084069272 BJQHDINRAGFQNT-UHFFFAOYSA-N 460.520 2.183 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)C(=O)[C@@H](CCCC)NC(=O)[C@H](C)NC(=O)C(C)(C)C)c1 1141896337 ACUUEXXUHHZKKG-FXAWDEMLSA-N 456.587 2.291 30 10 JEEE C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(=O)OCc1ccccc1 1164109354 CDXQNSJXKPQOMB-QGZVFWFLSA-N 455.536 2.207 30 10 JEEE C[C@H]1C[C@H](NC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c2ccsc2S1(=O)=O 1225936351 DDMMNAGCMLAAOR-MYZSUADSSA-N 454.574 2.413 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2CCCN2CCN(CC)CC2)c1 1286309073 GZVAUQQVPODYHU-UHFFFAOYSA-N 486.624 2.424 30 10 JEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(CCC(N)=O)CC1 1286338487 BQELPNPMSUMDCE-UHFFFAOYSA-N 472.615 2.091 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1CCc1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1286383211 LQCLZYXJIRLYOS-LJQANCHMSA-N 499.593 2.437 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1nnc(C(C)(C)C)s1)[C@@H]1CCS(=O)(=O)C1 1286390527 BOMRUERDHHHBFX-QGZVFWFLSA-N 485.639 2.088 30 10 JEEE C#CCN(c1nnc(CC2CCCC2)n1Cc1cccc(C(=O)N(C)C)c1)[C@H]1CCS(=O)(=O)C1 1286391416 IENFPKJARAOOBS-QFIPXVFZSA-N 483.638 2.388 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CCc1ccc(OC(F)(F)F)cc1 1286464415 AIGYLXNYSOBVPV-QGZVFWFLSA-N 451.449 2.457 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@](C)(O)c2cccs2)CC1 1286491211 ITEHYDDXLQSBTH-DEOSSOPVSA-N 464.595 2.199 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCC)CC1CC1 1286555940 MQGFPULMRRLSBA-AABGKKOBSA-N 467.636 2.219 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCCN(C(C)=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1286564463 VPSYQAQFHGPHTR-AWRGLXIESA-N 461.607 2.359 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(NC(C)=O)c1 1286581293 HNKGYEBHLSDNPK-HXUWFJFHSA-N 476.603 2.020 30 10 JEEE C=CCn1c(Cc2ccccc2C)nnc1N1C[C@@H]2[C@@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1286775894 MHWCYWAHWBYBHC-AABGKKOBSA-N 487.626 2.490 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 1286791113 NIFPCHOBKQKULT-GHTZIAJQSA-N 496.612 2.472 30 10 JEEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCCN(c2nc(C)ns2)CC1 1286791387 YMCZXMYYFOXDET-UHFFFAOYSA-N 496.641 2.251 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCCCS2(=O)=O)C1 1286813042 QQURVLAIPBVDEH-DLBZAZTESA-N 479.628 2.018 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 1286823902 ZWLZFXSWZIXZOS-PKOBYXMFSA-N 490.630 2.214 30 10 JEEE CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@H]1CN(Cc2ccccc2)CCCO1 1288099416 ARBHZGXBISIASA-HYBUGGRVSA-N 469.565 2.149 30 10 JEEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)C(C)(C)C)C[C@@]2(CCOC2)O1 1291278746 BIMODLGAAHGQHP-AVRWGWEMSA-N 482.585 2.275 30 10 JEEE CCC(CC)c1cc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@H](C)CC#N)on1 1291976627 DEVXZLCWPFCYDK-BEFAXECRSA-N 479.607 2.289 30 10 JEEE CN(C)C(=O)[C@H]1CCCN1CCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@H](C#N)C1 1297953944 AOYITPUBFVORIC-YLJYHZDGSA-N 489.983 2.409 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@]2(OC)CCOC2)c1 1300332162 YTMGEMNXHDZXSA-IZZNHLLZSA-N 497.596 2.180 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccn(Cc2ccccc2)n1 1300505545 CLGDTKQAKXLRLH-UHFFFAOYSA-N 450.506 2.291 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccc(C)cc2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1300548942 UOLUTQXXMIWQRA-GGAORHGYSA-N 481.622 2.443 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC(=O)NCCC)CC1 1300718213 FUNKCZYBFWEIBT-UHFFFAOYSA-N 472.977 2.099 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CC2CCN(CCC)CC2)CC1 1300725883 FRHKCCVEVYAYEV-UHFFFAOYSA-N 463.630 2.352 30 10 JEEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1300742773 UTJAWPRANVSRDE-LJQANCHMSA-N 465.627 2.220 30 10 JEEE C=CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCS(=O)(=O)CC1CC1 1301289711 MVVHZUANNZXNNB-UHFFFAOYSA-N 456.572 2.122 30 10 JEEE C=CCN(CC=C)c1nnc(-c2ccc(Br)s2)n1C[C@]1(O)CCS(=O)(=O)C1 1301375711 RNVLRGCUTDFKSK-QGZVFWFLSA-N 473.418 2.497 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1301484147 BUXIEGDPEQLYNM-KBPBESRZSA-N 482.404 2.456 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@@H](CN(C)CCC)C1 1301502562 KOERZDRWCZUXEZ-RXVVDRJESA-N 454.575 2.261 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Br)s2)nnc1N1CCO[C@@H](C#N)C1 1301576721 ZAVDNRFXNUEACA-LBPRGKRZSA-N 472.390 2.099 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCO[C@@H](c3ccccc3)C2)nnc1[C@@]1(OCC)CCOC1 1301596138 ISUVREGEMMRWLJ-NFBKMPQASA-N 476.599 2.109 30 10 JEEE COCCN1C[C@@H](Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)C[C@@H](C)C#N)CC1=O 1301859880 FTKSSKVSHRSRKO-KBPBESRZSA-N 464.368 2.126 30 10 JEEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CCCO1 1305153431 CLEFHKIFGOIHFE-SIKLNZKXSA-N 465.602 2.375 30 10 JEEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CC1CN(C(=O)OC(C)(C)C)C1 1306199372 DNFGRIULVUOZNU-INIZCTEOSA-N 467.578 2.084 30 10 JEEE C#CCN(C(=O)c1cccc(NS(=O)(=O)c2ccc(OCC)cc2)c1)[C@@H]1CCS(=O)(=O)C1 1318301586 IODDBHDKIPGCJR-LJQANCHMSA-N 476.576 2.149 30 10 JEEE C=CCOc1ccc(CC(=O)Nc2cc(S(=O)(=O)N3CCN(C)CC3)ccc2OC)cc1 1350965546 JNFRLIZRCAISRZ-UHFFFAOYSA-N 459.568 2.377 30 10 JEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1cn2ccc(C)cc2n1 1358941699 UKQGTIDJNPFJKY-UHFFFAOYSA-N 463.567 2.269 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1CCOCCC=C)[C@H]1CCS(=O)(=O)C1 1358957648 XYDPZFNGNHALHM-KRWDZBQOSA-N 496.431 2.266 30 10 JEEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1CCc1cn[nH]c1)[C@@H]1CCS(=O)(=O)C1 1358965937 DVWMXXKUILYKDF-HXUWFJFHSA-N 468.583 2.066 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCN1C[C@H](C)C[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1358967180 FQTLTSSVMSXQML-XRXFAXGQSA-N 463.648 2.124 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCc1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 1358967268 HCFIJZUTQHFLQX-NJDAHSKKSA-N 488.658 2.190 30 10 JEEE C#CCN(CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1Cc1ccc(C)n(C)c1=O 1359003050 WMVOSDOGDYFUAL-UHFFFAOYSA-N 451.527 2.486 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cc(Br)ccc1OC 1359023165 BSYKNUXWVQXTAT-MRXNPFEDSA-N 462.348 2.135 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2C[C@@H]2CCC[C@@H](O)C2)CC1 1359043446 UIVPFGQIEQVEAK-UYAOXDASSA-N 451.571 2.471 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCCOCC)CC1 1359045969 ZCICOUVOQWCIRQ-OAQYLSRUSA-N 453.543 2.183 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CSc3ccc(C)cc3)n2CCS(=O)(=O)CC)CC1 1359047874 WUDVDYLZQVRKLP-UHFFFAOYSA-N 489.667 2.279 30 10 JEEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H](CC(N)=O)C1 1359050279 MHFIALOJAHRBSA-ZDUSSCGKSA-N 451.394 2.494 30 10 JEEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1359054206 NDWLKEAIOAFYBP-UHFFFAOYSA-N 453.572 2.345 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](CN(CC)CC(F)(F)F)C1 1359056512 GPRLAOZCZRTNGU-IRXDYDNUSA-N 493.621 2.257 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCS(=O)(=O)C1 1359071594 WDHSRNCZCHKUCW-IEGUWTFLSA-N 493.630 2.013 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccc2C)nnc1N1CCO[C@@H](CNC(C)=O)C1 1359100495 CIPAPMGCEVHYIF-GPXNEJASSA-N 453.587 2.500 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@]2(CCCOC2)C1 1359293475 QRRHATZOUAPFKQ-FQEVSTJZSA-N 463.380 2.355 30 10 JEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)O[C@H](c2ccsc2)C1 1359303913 FPKGCLIFHDKHAT-HKUYNNGSSA-N 455.588 2.470 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ncnn2C(C)(C)C)C1 1359324048 BTEWADUYCJTEDH-INIZCTEOSA-N 470.603 2.446 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@@H](C)c1sc(CC)nc1C 1359332183 QWDQSZRWQOAVCU-LSDHHAIUSA-N 466.633 2.355 30 10 JEEE CC(=O)NC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@H]2CCCCO2)CCO1 1359452161 HJIBYJPAWGOIAI-IFMALSPDSA-N 468.558 2.029 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1OC(F)(F)F 1507539640 XCSJBBFOJBSCDU-PBHICJAKSA-N 487.504 2.016 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H](C)N(C)C)c1 1507549617 JDWWYXLUBUMNTK-DFBJGRDBSA-N 468.602 2.325 30 10 JEEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1CCN(CCN(C)C)CC1 1507622072 AWZWMWLCIQAPFZ-OYRHEFFESA-N 473.666 2.392 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CCc1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 1507627252 RNMMRFVQBGSCJY-URXFXBBRSA-N 472.611 2.108 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1ccc(OC)cc1F)[C@@H]1CCS(=O)(=O)C1 1507632678 OZYLKXPYBUFRDI-XLIONFOSSA-N 462.547 2.342 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CC1(CCOCC)CC1)[C@H]1CCS(=O)(=O)C1 1507633688 UOHKJVHHTLIMGC-RBUKOAKNSA-N 450.605 2.353 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccc(OC)cc2)n1CC1CCN(C(=O)OC)CC1 1507655477 HZPVEJWQASDTEP-UHFFFAOYSA-N 451.527 2.417 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Br)s3)n2CCn2cncn2)CC1 1507734788 YFSQDMARKRTKCC-UHFFFAOYSA-N 489.403 2.027 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@]2(O)CCO[C@@H]2C)CC1 1507739630 DUFCCKIQFCXVEJ-MZNJEOGPSA-N 487.988 2.016 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@H]2CCO[C@H]2C(C)C)CC1 1507740163 PCBABLNLBJVIPC-OFNKIYASSA-N 450.587 2.291 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCCN2CCCC[C@@H]2C)CC1 1507740486 AMAVCASSAKTCCN-PMVMPFDFSA-N 486.661 2.232 30 10 JEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(N(C)c2ccccc2)CC1 1507745945 GZMZSIYHMWBJOO-SFHVURJKSA-N 476.672 2.360 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1cccc(F)c1 1507773322 PTKFBPQPWBXGLE-NFBKMPQASA-N 475.590 2.375 30 10 JEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccc(Cn3ccnc3)c2)CC1 1507883070 YYRVYNKJCDETRW-SFHVURJKSA-N 455.588 2.338 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCn2nc(C)nc2C1 1508090333 HBZQAXRERCKYBP-UHFFFAOYSA-N 464.574 2.377 30 10 JEEE CC(C)C[C@H](Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@](F)(C#N)C1)N(C)C 1509107918 ICNPUYQNMBWCRG-KNQAVFIVSA-N 452.542 2.339 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1CC1([S@](C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1539206565 RJAAWKBKJWPRNO-KNTRGWTASA-N 498.577 2.084 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC1CCC(F)(F)CC1)[C@@H]1CCS(=O)(=O)C1 1539215992 MOHJPWMMMFRQKG-QGZVFWFLSA-N 452.531 2.131 30 10 JEEE C#CCN(c1nnc(C2CCC2)n1CCN(CC)CCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1539222897 YGJIQKJVALPDSA-KRWDZBQOSA-N 461.554 2.447 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1OCCC1(C)C 1539399999 XBCGLKJBHYLABR-FQEVSTJZSA-N 475.615 2.097 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CC1CCN(Cc2cccs2)CC1 1539414247 SPJGETYUOKGHSR-FQEVSTJZSA-N 456.616 2.289 30 10 JEEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2cccc(OCC(C)C)c2)CC1 1539460102 WJBOOJMGPXYIEH-UHFFFAOYSA-N 450.587 2.239 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2cccc(C)c2)nnc1N(C)CC(=O)N1CCOCC1 1539644447 OQJGSWSXMRBPOH-HYBUGGRVSA-N 469.586 2.442 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(CS(C)(=O)=O)CC1 1539666411 YSFPQYXJBUMZOB-UHFFFAOYSA-N 470.599 2.419 30 10 JEEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1539722973 VNTIYORUQUCSTA-UHFFFAOYSA-N 455.563 2.213 30 10 JEEE C=C(Cl)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(CCC(N)=O)CC1 1539793654 IFENNJKLAFGQCA-UHFFFAOYSA-N 466.011 2.473 30 10 JEEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1539900472 NJMSGHOCEFUKCS-UHFFFAOYSA-N 466.652 2.367 30 10 JEEE C=CCCOCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CC(=O)N(C)[C@H](C)C1 1540033265 CLGMAZUVFCSFNC-GOSISDBHSA-N 479.585 2.496 30 10 JEEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccccc2[C@H]1C 1540037500 MRVIZRXPWWAKAG-NQIIRXRSSA-N 475.615 2.327 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCCS1(=O)=O 1540126174 BKRZFVJJYXIWBH-MJGOQNOKSA-N 481.644 2.048 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC[C@H](C(N)=O)C1 1540899445 PAUPZGBDSLKPAH-HOTGVXAUSA-N 477.656 2.434 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc(COc2ccccc2F)n1C[C@H]1CCCN1S(C)(=O)=O 1541118759 GZCJRXSDXHORQA-JKSUJKDBSA-N 450.540 2.016 30 10 JEEE CCOCc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CCN1CCOC[C@H]1C 1548162583 AEIGLFVZXCFZBL-OAQYLSRUSA-N 467.618 2.119 30 10 JEEE CNC(=O)[C@@H]1CN(C(=O)c2ccc(OC)nc2OC)CCN1c1ccc(C#N)c(C(F)(F)F)c1 1548367788 NSHNSWJTNMKYOG-KRWDZBQOSA-N 477.443 2.066 30 10 JEEE COCC[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2CCS(=O)(=O)CC2)C1 1555454617 DCKROEWEYHPLEH-LJQANCHMSA-N 473.599 2.416 30 10 JEEE C#CCSCCNC(=O)c1cccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c1 1586534862 SZWQFTBUQWZUNL-UHFFFAOYSA-N 457.621 2.289 30 10 JEEE C#CCCCCn1c(N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)nnc1[C@]1(OCC)CCOC1 1587793091 GWHWWYIAIUTYAE-QHCPKHFHSA-N 469.546 2.364 30 10 JEEE C#CCCCn1c(COc2ccccc2CC)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1587889317 XLZTUWSPAGESRZ-UHFFFAOYSA-N 450.543 2.354 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC1(O)CCC1)[C@H]1CCS(=O)(=O)C1 1588028874 AHEDCPQCSDAXOU-AEFFLSMTSA-N 462.547 2.099 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H]2CC(F)(F)CO2)CC1 1588907360 ATVBOYXXYDHDGR-INIZCTEOSA-N 464.904 2.384 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1589485387 YYKBFRNOQARABO-UFYCRDLUSA-N 458.607 2.188 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1NC(=O)CC1(C)C 1595085230 RYBZBJZYOWVYHW-FQEVSTJZSA-N 461.570 2.493 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1595114968 BZPABHKOKHMVDV-LJQANCHMSA-N 455.588 2.153 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCOC1=O 1595134267 XYDAJERCMZDJME-SFHVURJKSA-N 477.562 2.354 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@H]2CCCS(=O)(=O)C2)C1 1595755226 UEOIIKYHLIVWFE-GHTZIAJQSA-N 476.599 2.472 30 10 JEEE Cc1ccc(NC(=O)c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CN(CC(C)C)CCO2)cc1C 1612108362 HGOLNKKHKLMHSU-YADHBBJMSA-N 481.601 2.233 30 10 JEEE CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)C1CCC(NC(C)=O)CC1 1615133410 BDACPSWNMWWDBS-UHFFFAOYSA-N 467.574 2.091 30 10 JEEE C=CCN1CC[C@H](N(C)C(=O)Nc2ccc(OCC)c(S(=O)(=O)N(CC)CC)c2)C1=O 1622764104 FUXCGWNBZJKZNV-KRWDZBQOSA-N 452.577 2.366 30 10 JEEE C=CCn1c(S)nnc1-c1sc(NC(=O)[C@@H](C(C)C)N2CCCS2(=O)=O)nc1C 1632837243 PYRGKJIAOVACGM-GFCCVEGCSA-N 456.619 2.183 30 10 JEEE C=CCn1c(S)nc2cc(C(=O)N3Cc4cc(C(=O)OCC)nn4C[C@H]3C)ccc2c1=O 1641873300 NSMLGUHXGQJUPX-CYBMUJFWSA-N 453.524 2.289 30 10 JEEE Cc1c(C#N)c(NC(=O)CN2CCN(CC[S@@](C)=O)CC2)n(Cc2ccc(F)cc2)c1C 1653584640 CLOTUYKKEZGMSK-JGCGQSQUSA-N 459.591 2.099 30 10 JEEE C=C(C)COCCNS(=O)(=O)c1cc(C)c(I)c(C(=O)OC)c1 1654573954 ORWMMMQUNZHENK-UHFFFAOYSA-N 453.298 2.257 30 10 JEEE C=CCCC[C@@H](NS(=O)(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C)C(=O)OC 1656974046 SHUYDMYKQWHRAF-GOSISDBHSA-N 458.602 2.346 30 10 JEEE C[C@@H]1CCCN(C(=O)C2CCN(C(=O)CN3CCN([C@@H](C#N)c4ccccc4)CC3)CC2)C1 1657631771 ASXUGPBQYQNBTI-QPPBQGQZSA-N 451.615 2.366 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CCCSC2)c1 1689868539 JNDMDOHJPJHSEX-SJLPKXTDSA-N 490.655 2.088 30 10 JEEE C#CCCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1689902302 ZGFXSMMYBYFRIO-UHFFFAOYSA-N 452.603 2.488 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCOC)[C@H]1CCS(=O)(=O)C1 1689979620 FDVQZZJOHSZASZ-RDJZCZTQSA-N 452.964 2.345 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@H](OC)C(C)C)[C@H]1CCS(=O)(=O)C1 1689997016 UIQWKLINYXIOLQ-FPOVZHCZSA-N 471.583 2.026 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CCCc1nc(C)no1)[C@H]1CCS(=O)(=O)C1 1689997103 VZQISUJDVGYCOA-IBGZPJMESA-N 484.582 2.116 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@H](C)CN2CCOCC2)CC1 1690112028 OPPVWJYLRJKMCV-SFTDATJTSA-N 470.593 2.281 30 10 JEEE C#CCN1CCN(c2nnc(COCC)n2CCc2ccc(OCC(F)(F)F)nc2)CC1 1690133575 LYOLMIKGQSBVCF-UHFFFAOYSA-N 452.481 2.149 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 1690663448 XBHUKHNISMSTSC-UHFFFAOYSA-N 491.556 2.396 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 1690666788 GWOZGIHDOOGVQK-UHFFFAOYSA-N 473.537 2.419 30 10 JEEE C=CCNC(=O)Cn1c(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1690678049 JHMHFZCNLQZRKL-TYBLODHISA-N 464.570 2.364 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCO[C@H](C#N)C1 1690719979 WWTWSLROKIIXKB-GOSISDBHSA-N 475.571 2.070 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CCc1cccc(C)n1)[C@@H]1CCS(=O)(=O)C1 1705568033 FXWKMJWNNSGTNZ-JOCHJYFZSA-N 490.589 2.302 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@@H](C1CC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1705570803 RDEORXYNQZNCAH-UTKZUKDTSA-N 477.581 2.114 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(Br)cn2C)n1Cc1ccc(C(N)=O)nc1 1705591694 HQZYGMDVFGHITI-UHFFFAOYSA-N 466.343 2.051 30 10 JEEE C=C(Br)Cn1c(-c2ccc[nH]2)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1705686521 APIXFZSLLXRTFK-CQSZACIVSA-N 458.382 2.212 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@@H](C)c2nccs2)CC1 1705736885 FONYKDHRSHASPC-ZWKOTPCHSA-N 480.660 2.113 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Br)cc2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1705906914 SORYRWYQCBAVSL-PBHICJAKSA-N 464.364 2.129 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H]2CCCCS2(=O)=O)C1 1705926724 JQQRQTAXQKWZJI-QZTJIDSGSA-N 451.618 2.382 30 10 JEEE CCC[C@H](C)C(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(C(C)=O)CC1 1709467038 FPYJBBDYRVGHKW-IBGZPJMESA-N 481.601 2.340 30 10 JEEE CNC(=O)[C@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C(C)C)N2CCOCC2)C1 1711317302 AUWOQOTYUSTLIQ-PXDATVDWSA-N 465.602 2.136 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2sccc2C)c1 1722304869 JTPAQUAZRSEMKX-MRXNPFEDSA-N 486.623 2.363 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cc2ccccc2[nH]1 1722331977 BMANDFWGSBPOAX-FQEVSTJZSA-N 456.572 2.142 30 10 JEEE C#CCCCn1c(N2Cc3c(OC)ccc(OC)c3[C@H](O)C2)nnc1[C@]1(OCC)CCOC1 1722338215 GOVHSEZFIPDVPH-KOSHJBKYSA-N 456.543 2.414 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H](CCC)OC)[C@H]1CCS(=O)(=O)C1 1722363832 VYWVMQFVXHODIV-RBUKOAKNSA-N 474.583 2.158 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H](c1ccccc1)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1722367042 LSJYIUNPXBEMPC-VJBWXMMDSA-N 485.654 2.492 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccccn3)n2CCNc2nccc(C(F)(F)F)n2)CC1 1722435685 RWIVCCZBKUGYDG-UHFFFAOYSA-N 457.464 2.016 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2Cc2c(CC)nn(C)c2OC)CC1 1722442639 XJAQHJLLKVSMEE-UHFFFAOYSA-N 467.549 2.104 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CCN2CCC[C@H](C)C2)CC1 1722449001 KKDZRSMXVOCNKH-SFHVURJKSA-N 469.659 2.332 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1CCS(=O)(=O)CC1 1722500872 FSVWOFSFFOHTFK-UHFFFAOYSA-N 495.671 2.423 30 10 JEEE C=CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(OCC(N)=O)CC1 1722604795 KTWCDJLZYWCOOA-IBGZPJMESA-N 492.621 2.414 30 10 JEEE C=CCCCCn1c(Cc2ccncc2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1722605583 MFFOUZKGGAFXDK-NRFANRHFSA-N 474.631 2.251 30 10 JEEE C=CCN(c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)NCC(F)(F)F)C1CC1 1722651444 UMJMTIWNSIHOBH-OAHLLOKOSA-N 488.511 2.420 30 10 JEEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@@H](OCC(C)C)C1 1722688493 DCWMCIUIBZRCLY-GOSISDBHSA-N 489.646 2.100 30 10 JEEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1722732358 KQEQZLCBAJYHGG-KRWDZBQOSA-N 484.692 2.036 30 10 JEEE C[C@H](C#N)CN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCN1CCCO[C@H](C)C1 1722862222 HPJITVJORKEYPQ-RTBURBONSA-N 474.631 2.445 30 10 JEEE CCc1nc(CCn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@H](CNC(C)=O)C2)cs1 1727458464 HJQGLNVYLDKVCB-HXUWFJFHSA-N 465.583 2.420 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1CCC1CC(OC(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1740626633 MTUZVNGPDBFZSG-FUFFSDJGSA-N 464.632 2.393 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1ccc(F)c(COC)c1)[C@@H]1CCS(=O)(=O)C1 1740627329 PPARKVTZRJETNC-AZUAARDMSA-N 476.574 2.133 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2CCCNC(=O)c2cccc(O)c2)CC1 1740706707 ZWUINNUCCJQUDY-UHFFFAOYSA-N 464.570 2.037 30 10 JEEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 1740715367 XYCMEQQDHDAYTF-NHCUHLMSSA-N 483.686 2.467 30 10 JEEE C#CCSCCn1c(COc2ccc(Cl)cc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1740721845 VKSJNYYNZPUNKZ-UHFFFAOYSA-N 486.001 2.464 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CC[C@@](O)(c2ccccc2F)C1 1740989727 WDRTTYVCLWYUFO-QFIPXVFZSA-N 457.531 2.178 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 1740990174 KWGJUVZRMWWEAR-UHFFFAOYSA-N 493.634 2.021 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H]1c1ccc(OC)cc1 1740990738 DWCAEVSDGUGTBV-OALUTQOASA-N 459.572 2.180 30 10 JEEE Cc1ccc(OCc2nnc(N(C)C[C@H](C)C#N)n2C[C@H]2CCN(S(C)(=O)=O)C2)cc1C 1742263084 GICLCMXAFKJIGC-APWZRJJASA-N 460.604 2.351 30 10 JEEE CC[C@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1743886615 BAUSGSLNPYKAIL-KRWDZBQOSA-N 487.630 2.030 30 10 JEEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1Cc1cccc(NC(=O)[C@H]2CCCO2)c1 1748934669 DGFJMIWEPLYVIC-HXUWFJFHSA-N 450.543 2.026 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccncc2)n1CC1(C(N)=O)CCOCC1 1748946250 BVETXZJAUTXKTG-UHFFFAOYSA-N 462.529 2.325 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCCOc2ccccc2C)CC1 1748978858 QQNPWKTVJLGFJX-VWLOTQADSA-N 453.587 2.463 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC2([S@](C)=O)CC2)CC1 1749006082 HXOMTOVFNCBWNI-HKBQPEDESA-N 460.003 2.475 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCc2csc(CC)n2)CC1 1749010143 OGNYXXVDUZXWHW-GOSISDBHSA-N 456.616 2.400 30 10 JEEE C#CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1749019886 FAITZGOLHUUPLW-INIZCTEOSA-N 475.018 2.285 30 10 JEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)OCc2ccccc2)CC1 1749033184 ACHKQRSPZDCNQM-LJQANCHMSA-N 468.583 2.054 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCCN(C(=O)C(C)C)CC1 1749114306 AAQZSTIQGONVBF-PMACEKPBSA-N 458.607 2.190 30 10 JEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(C2CCCC2)CC1 1749426939 JUEKLAWUWSQOBE-HXUWFJFHSA-N 466.652 2.032 30 10 JEEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1749609703 ZMDNBBCVFMSNCB-UHFFFAOYSA-N 469.615 2.207 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cc(C)nc(N3CCCC3)c2)C1 1749697374 JMTPFYUIDYHHBE-ICSRJNTNSA-N 489.646 2.022 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@@H](N2CCCC2=O)C1 1749727030 LQSUYSXTQXOOAS-QGZVFWFLSA-N 494.017 2.409 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC(C(=O)NC)CC1 1749730534 HSHIAYQYRPJDCH-UHFFFAOYSA-N 484.582 2.163 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCN(c3ccccc3[N+](=O)[O-])CC2)nnc1C(C)(C)C 1749740845 ZESYGFCVYVLLML-UHFFFAOYSA-N 462.576 2.411 30 10 JEEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N(C)C)CCN(C2CCC2)C1 1752387490 HBUVPVJQTGAKPD-SFHVURJKSA-N 451.575 2.128 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 1760116678 IYSFTCAUMLCLPL-KSZLIROESA-N 477.631 2.428 30 10 JEEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1760132544 KLOKGEPMFAMRPP-HXUWFJFHSA-N 468.583 2.254 30 10 JEEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1C[C@H](C)COC)[C@H]1CCS(=O)(=O)C1 1760192535 VJHCQGXLBRYJDE-WMZOPIPTSA-N 466.991 2.420 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H](C)CN1CCCC1 1760197382 VIQVGTYRKNUCRS-FQEVSTJZSA-N 468.627 2.000 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCc2ccc(OC)c(OC)c2)CC1 1760256515 HPBRJDJASRXRIW-AREMUKBSSA-N 483.613 2.334 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCOc2cccc(Cl)c2)CC1 1760256530 HRXODCITJXXTPA-HSZRJFAPSA-N 459.978 2.418 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@]2(O)CCC[C@@H]2C)CC1 1760266664 IAKBZMRQQAYFED-XDHUDOTRSA-N 466.542 2.370 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(C[S@](C)=O)cc2)CC1 1760270339 VMTNZJSTNSPTQP-RIPCNWKXSA-N 483.638 2.065 30 10 JEEE C#CCSCCn1c(-c2ccc(C)o2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1760276831 QOLLBDOHJAYDGZ-OAQYLSRUSA-N 472.659 2.444 30 10 JEEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1760277481 LXJUERGARMUUFB-MRXNPFEDSA-N 491.547 2.360 30 10 JEEE C#CCSCCn1c(COc2cc(C)ccc2C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1760284561 OFSMSWHPUQQLKK-IBGZPJMESA-N 482.610 2.313 30 10 JEEE C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1760342257 CVVQCODYMAPDKU-QGZVFWFLSA-N 476.423 2.365 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 1760357392 JALVZPRYPUBPMP-AZUAARDMSA-N 481.663 2.150 30 10 JEEE C=CC1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1760398835 OEPOPXGJEKEDMS-KRWDZBQOSA-N 464.613 2.186 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C(CC)CC)N(C)C)CC1 1760402152 IBYQUNOSZRPYGN-NHCUHLMSSA-N 482.695 2.380 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1760517483 NQPITYVSJBUJDJ-WOGXIUBCSA-N 471.558 2.037 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CCc2c(ccnc2O)C1 1760557164 BRZRTWMHGMSNDY-UHFFFAOYSA-N 453.568 2.327 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCC(=O)NC(C)(C)C 1760690875 GVWNIHZERKOEBH-HNNXBMFYSA-N 450.547 2.093 30 10 JEEE C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCNS(C)(=O)=O 1761522105 IEKLINHKNQUELW-QRWLVFNGSA-N 450.540 2.236 30 10 JEEE Cc1noc(C)c1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCC#N)CCC(C)C 1762663858 FBVLAROCOARGBO-LJQANCHMSA-N 479.607 2.030 30 10 JEEE CCNC(=O)C(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1765585455 DJYFUZAKCSYVLV-UHFFFAOYSA-N 496.591 2.014 30 10 JEEE COc1ccc(Cn2c(CNC(=O)c3cccs3)nnc2N2CC[C@](F)(C#N)C2)cc1O 1770234903 AGASQGVRBHVLQU-NRFANRHFSA-N 456.503 2.474 30 10 JEEE CC(=O)Nc1nnc(S(=O)(=O)N2CCOc3ccc(NC(=O)c4cccc(C#N)c4)cc32)s1 1858467956 JRVFLMLONSFBRG-UHFFFAOYSA-N 484.519 2.208 30 10 JEEE CS(=O)(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCCN3C(=O)c2cccc(C#N)c2)CC1 1858472283 JIXGVAYGBWWYDA-UHFFFAOYSA-N 468.535 2.208 30 10 JEEE CC(=O)NS(=O)(=O)c1ccc(N[C@@H](CCOc2ccccc2)C(=O)N2CCC(C=O)CC2)cc1 1860591824 FQJHEGHITRZRDU-QHCPKHFHSA-N 487.578 2.199 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)C(=O)N[C@@H](CC(C)C)C(=O)O)c(C(=O)OCC)c1C 1860761475 VNBYRHHTIOOZFM-LBPRGKRZSA-N 454.501 2.130 30 10 JEEE C=CCN1C(=O)C(NCCc2ccc(S(N)(=O)=O)cc2)=C(c2ccc(OC(C)C)cc2)C1=O 1863695635 SUPVWBNMOPCBEJ-UHFFFAOYSA-N 469.563 2.219 30 10 JEEE C=CCn1c(C(=O)NCCNC(C)=O)cc2c(N3CCN(C/C=C/c4ccccc4)CC3)ncnc21 1873595038 MRBYFXDZBNSNNF-JXMROGBWSA-N 487.608 2.319 30 10 JEEE N#Cc1ccnc(O[C@@H]2CCN(C(=O)[C@@H]3CCCN3S(=O)(=O)c3cccc(Cl)c3)C2)c1 1890194246 KWNHWTBDLUFRHT-MJGOQNOKSA-N 460.943 2.440 30 10 JEEE Cc1nc(I)c(I)n1C[C@@](N)(C#N)CC1CC1 2026499345 FDVVYNIKWZXUPH-NSHDSACASA-N 456.069 2.422 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@@H]1CNC(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2255535993 BXYMGGKIWCWPQU-AWEZNQCLSA-N 452.382 2.413 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCOC[C@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2255620785 FDLGPLUHYGUHQX-HUUCEWRRSA-N 452.382 2.459 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2csc(B3OC(C)(C)C(C)(C)O3)c2)[C@@H](CO)C1 2255710270 IJZOVBZUVWTKDR-OAHLLOKOSA-N 452.382 2.101 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](NS(=O)(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2255751593 CHVKOPGJUHRCNL-HNNXBMFYSA-N 452.382 2.274 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2C(NS(=O)(=O)c3cc(B4OC(C)(C)C(C)(C)O4)cs3)[C@@H]2C1 2255942666 OOZZNQJGKCVXQT-ZIAGYGMSSA-N 470.422 2.191 30 10 JEEE CN1CCN(C(=O)c2csc(B3OC(C)(C)C(C)(C)O3)c2)[C@H](CNC(=O)OC(C)(C)C)C1 2267561806 UORFLEMNFUVHPK-MRXNPFEDSA-N 465.425 2.328 30 10 JEEE C[C@@H]1OCCN(C(=O)OC(C)(C)C)[C@H]1C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2268654951 GFEVJPVIWYXJKI-XJKSGUPXSA-N 467.397 2.083 30 10 JEEE C=C(CN(C)C(=O)[C@@H]1CO[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O1)B1OC(C)(C)C(C)(C)O1 2268764324 AWYAMFGDJZRMSV-ZACQAIPSSA-N 452.357 2.036 30 10 JEEE CC1(C)OB(c2cc(C(=O)N3CC(COCc4ccccc4)(C(=O)O)C3)ns2)OC1(C)C 2269058423 SRINYVZYUXTNFH-UHFFFAOYSA-N 458.345 2.186 30 10 JEEE Cn1cc(C(=O)N2CCC[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)c(B2OC(C)(C)C(C)(C)O2)n1 2281975738 RAHGRMKRPGORQH-RDJZCZTQSA-N 460.384 2.191 30 10 JEEE CCn1cc(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 2282000852 TUGUVISCYSJLOQ-LHRCYKKBSA-N 482.412 2.107 30 10 JEEE CS[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 2282002155 KSELGEKRRVKXQH-HUUCEWRRSA-N 480.440 2.108 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(F)c(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)c1 2282019791 QNUOPHBWEOZKHD-IAGOWNOFSA-N 464.343 2.143 30 10 JEEE Cn1cc(C(=O)NCC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2282038109 DPJUCIHVCOZOTE-MRXNPFEDSA-N 462.400 2.486 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2COCCN2C(=O)OC(C)(C)C)n1 2282042421 GXTVYTJBLJAELH-MRXNPFEDSA-N 461.368 2.055 30 10 JEEE CC(C)(C)OC(=O)N1CCN(NC(=O)c2cc(F)c(B3OC(C)(C)C(C)(C)O3)cc2F)CC1 2282084494 PRNIBHAVZBUATP-UHFFFAOYSA-N 467.322 2.462 30 10 JEEE Cc1nc(C(=O)N2C[C@H]3CC[C@H]2[C@@H](NC(=O)C(F)(F)F)C3)c(B2OC(C)(C)C(C)(C)O2)s1 2282509723 OEOPBQICKNXXEK-AVGNSLFASA-N 473.326 2.422 30 10 JEEE CC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282555631 WKHYJAFYSZXWAJ-NVXWUHKLSA-N 462.400 2.485 30 10 JEEE Cc1nn(C)c(C(=O)N(C)C[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2282572017 GQEVDMUHPGQRCF-MRXNPFEDSA-N 462.400 2.357 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C 2282581178 DPYGATMWEAEDBK-GOEBONIOSA-N 462.400 2.261 30 10 JEEE Cn1cc(C(=O)N=[S@@](C)(=O)CCCCNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2282588082 CYFHNPCMFIKLEN-XIFFEERXSA-N 484.428 2.262 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1C[C@@H](NC(=O)C(F)(F)F)CC[C@@H]1C 2282691880 PHWIZZIUNAKEFS-ZFWWWQNUSA-N 457.302 2.479 30 10 JEEE CO[C@H]1CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2O)C[C@H]1NC(=O)OC(C)(C)C 2282794108 HFBWKTUADKFZDL-AEFFLSMTSA-N 462.352 2.056 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)CC(F)(F)F 2283072804 UJDNCJCSDQUQDX-GFCCVEGCSA-N 474.289 2.351 30 10 JEEE CC(C)(C)OC(=O)NC[C@H](C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1)[C@@H]1CCOC1 2284041820 QALXPFZDPZXNLS-CABCVRRESA-N 481.424 2.236 30 10 JEEE CN(C[C@]1(O)CCCN(C(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)C1)C(=O)OC(C)(C)C 2286340375 XMEKRWUJGUMXLW-JOCHJYFZSA-N 481.424 2.276 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CS(C)(=O)=O)C(=O)N1CCC[C@@H](B2OC(C)(C)C(C)(C)O2)C1 2313961833 BRWVOKILPLWLFO-HUUCEWRRSA-N 460.402 2.009 30 10 JEEE COCCN(CCN=c1ccc(B2OC(C)(C)C(C)(C)O2)c(OC)[nH]1)C(=O)OC(C)(C)C 2339784388 ABSQXHFBALNTLI-UHFFFAOYSA-N 451.373 2.107 30 10 JEEE C=CC1(N[C@@]2(C(=O)O)CO[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)CN(C(=O)OC(C)(C)C)C1 2350990359 KYTZKDFFKRKREY-XZOQPEGZSA-N 467.563 2.375 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H]3CC[C@H]2[C@@H]3NC(=O)OC(C)(C)C)n1 2359278279 IUIXXVIFYMYKDA-BHYGNILZSA-N 460.384 2.330 30 10 JEEE Cc1nn(CCO)c(C)c1/C=N/Nc1nc(SCC(=O)N[C@@H]2CCCc3ccccc32)n[nH]1 59888283 CPLPSNZJVQPTLR-AOOMUMSASA-N 468.587 2.342 30 10 JEEE CC1(C)OB(c2cccc(NS(=O)(=O)CCN3C(=O)c4ccccc4C3=O)c2)OC1(C)C 704366695 CSGHAOCSXYGTQF-UHFFFAOYSA-N 456.329 2.024 30 10 JEEE COc1cc(C=NNc2nnc(SCC(=O)Nc3ccc(F)cc3F)n2N)cc(OC)c1OC 1084191053 WFBOXTYZNJWMJM-UHFFFAOYSA-N 493.496 2.473 30 10 JEEE COc1ccc(Br)cc1C=NNc1nnc(SCC(=O)Nc2nccs2)n1N 1084212062 BDEZDBSWXBHRJE-UHFFFAOYSA-N 483.377 2.396 30 10 JEEE C=CCOC[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@H](C)C2)c1)C(=O)OC 1155779370 KXBLEVFPWQKCAA-YOEHRIQHSA-N 458.964 2.235 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(c4nnc(C(F)(F)F)s4)CC3)cc2C1=O 1269522319 HIQHGWATDPIGON-UHFFFAOYSA-N 451.430 2.301 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1CC1(O)CCS(=O)(=O)CC1 1286282239 LFIMEKCGKYLBCF-CQSZACIVSA-N 452.964 2.005 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCOC[C@@H]1CCCO1 1286286542 ZAZQBHLNFCOLRK-MSOLQXFVSA-N 460.604 2.282 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CCc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1286383336 WXPCSAVLDORRRO-OAQYLSRUSA-N 471.627 2.374 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@H](C)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1286389549 MEPLIKZJUOBHQA-QZTJIDSGSA-N 488.614 2.188 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1c[nH]c2cccc(C)c12 1286448456 VFGMJIIRUPGUDP-HXUWFJFHSA-N 470.599 2.103 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](OC)c1ccc(F)cc1 1286522079 GOPMYXIAKZEYFT-ZRCGQRJVSA-N 491.589 2.130 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(CNC(C)=O)CC1 1286563303 JBIFPMNGWXIWKA-GGAORHGYSA-N 455.607 2.473 30 10 JEEE C=CCC(C)(C)Cn1c(N2CCC[C@@H](n3cnc(C(N)=O)n3)C2)nnc1[C@@]1(OCC)CCOC1 1286675983 FNCJHCUVSWRAOD-UZUQRXQVSA-N 472.594 2.064 30 10 JEEE C=CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(CCOC)[C@@H](C)C1 1286700440 HTWZSYMQLPAPNC-SFHVURJKSA-N 451.575 2.315 30 10 JEEE C=CCn1c(Cc2ccccc2OC)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1286775374 FXYLHVMQSAZPCM-UHFFFAOYSA-N 474.612 2.339 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCc2c(ccnc2N(C)C)C1 1286780239 RUONIUXRFKKKJJ-UHFFFAOYSA-N 477.569 2.288 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1286780614 GNJJWZUSVRHILC-QUCCMNQESA-N 452.559 2.455 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](c2nnc(C(C)C)o2)C1 1286782161 MCCVIPXTKHJOJT-GOSISDBHSA-N 462.514 2.203 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 1286816050 FBCBUXLAYQKQPH-UHFFFAOYSA-N 484.582 2.241 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1286817315 SPVUNMSMXXOIQE-FQEVSTJZSA-N 459.616 2.413 30 10 JEEE C[C@H]1OCC[C@@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(O)(C(F)(F)F)CC1 1291320759 AEQWILHDFDTAJN-AUUYWEPGSA-N 451.449 2.250 30 10 JEEE CCC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1)OC 1293957239 BQMKMJXHWCDLHO-PGRDOPGGSA-N 465.602 2.421 30 10 JEEE COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOc2ncccc2F)CC1 1299434230 DHTGCDNIDSXESR-UHFFFAOYSA-N 451.462 2.318 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H]2CC2(C)C)CC1 1300700487 RBLAWEGXCDTMKN-MOPGFXCFSA-N 458.607 2.388 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccc(OCC(C)C)c2)CC1 1300723620 XYRGARWCYVQQCT-JOCHJYFZSA-N 478.597 2.278 30 10 JEEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(c2ccsc2)CC1 1300762233 HJISKUXBDCUEMU-LJQANCHMSA-N 495.696 2.423 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1300884297 IYYZWHOWYOSNCB-TZIWHRDSSA-N 460.623 2.422 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1301489968 IKVOLVBNLIJYLO-UHFFFAOYSA-N 451.487 2.384 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(c2ncccc2F)CC1 1301507141 XYVJODMGPJBFAV-UHFFFAOYSA-N 453.497 2.171 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCN(C(=O)OC(C)(C)C)C1CC1 1303847364 DLSDMIGXHLBEIF-KSFYIVLOSA-N 495.650 2.418 30 10 JEEE C=CCN1CC[C@@H](N(C)C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2OC)C1=O 1310106388 RZOJXFLSGLAJTD-GOSISDBHSA-N 450.561 2.120 30 10 JEEE CO[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCCO[C@@H](C)C2)C[C@H]1OC 1316328921 BICSHBHEESZGDC-YUXAGFNASA-N 454.575 2.168 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1c[nH]c2ccccc12 1358889551 DGJBVQYRLARKMR-LAUBAEHRSA-N 470.599 2.183 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CCn2cc(Cl)cn2)c1 1358901012 XVRIVCLYYBXVHI-UHFFFAOYSA-N 480.960 2.120 30 10 JEEE C#CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@H](C)O[C@@H](COC)C1 1358910749 ZMPHTVYFXQUQAF-ZWKOTPCHSA-N 450.543 2.236 30 10 JEEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN([C@H](C)c2nc(CC)no2)CC1 1358936943 CIMKQKAQDJLCPM-HBFSDRIKSA-N 457.579 2.244 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1CCN(CC)CCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1358960289 AYLPOADXMYUQMB-QGZVFWFLSA-N 486.564 2.185 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCCc2nc3ccccc3[nH]2)CC1 1359028563 WNNLZIJZHVMXHC-UHFFFAOYSA-N 462.602 2.461 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2C[C@H](N2CCOCC2)C(F)(F)F)CC1 1359043314 PWRLUEOIXQBOFH-FQEVSTJZSA-N 490.530 2.174 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cn4ccccc4n3)n2C[C@H](OC)C(C)C)CC1 1359046476 SWJXXRVFRVVCTG-NRFANRHFSA-N 463.586 2.153 30 10 JEEE C#CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1359057079 RVCQNCVAWGQBJU-ZWKOTPCHSA-N 491.687 2.076 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2F)nnc1N1CCN(CC(=O)NCC)CC1 1359094494 BTHDREUBGFOOBQ-GCJKJVERSA-N 456.566 2.324 30 10 JEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccccc2C#N)CC1 1359203206 KNHIFVMWXQJETO-QFIPXVFZSA-N 499.641 2.166 30 10 JEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](O)(c2ccccc2F)C1 1359227992 QWDLFQDHYIAGLE-JTSKRJEESA-N 464.563 2.010 30 10 JEEE C=CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H]1CCCS(=O)(=O)C1 1359238280 FTJOSAQBLDSURY-MRXNPFEDSA-N 456.572 2.122 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2CCOC[C@H]2OC)C1 1359315524 WLJIYIMYTHJDSF-QKNQBKEWSA-N 476.599 2.181 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCCN(C(C)=O)CC1 1359334559 JTWCOXBIXPZRJW-UHFFFAOYSA-N 475.615 2.133 30 10 JEEE N#Cc1ccc(Cl)c(S(=O)(=O)N2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1 1474793198 CUMIJFHMIMMXSU-UHFFFAOYSA-N 457.936 2.436 30 10 JEEE CC[C@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCN1CCSCC1 1495721768 DQVGETQOUUMRJX-KRWDZBQOSA-N 457.652 2.081 30 10 JEEE CNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCC[C@H]2C)CC1 1503767606 FSKZHWFTBKXFMY-MZNJEOGPSA-N 452.559 2.242 30 10 JEEE CS(=O)(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC=CO2)C1 1505128696 CRKNGNBZFBFMHN-UXHICEINSA-N 457.556 2.435 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1C[C@H](C)OC)[C@H]1CCS(=O)(=O)C1 1507626333 NNSXHJPDLFJLNU-ULQDDVLXSA-N 450.536 2.219 30 10 JEEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCCCC(F)(F)C1)[C@H]1CCS(=O)(=O)C1 1507631831 GQABJLIPXIRJNU-ULQDDVLXSA-N 469.558 2.072 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1ccc(F)cc1F)[C@@H]1CCS(=O)(=O)C1 1507634057 IOFVTYAMWYJLJN-LJQANCHMSA-N 457.506 2.217 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCS(=O)(=O)CC=C 1507650587 OENQPBGQIWBCAQ-LJQANCHMSA-N 475.615 2.066 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1C[C@H]1CCCN(C(C)=O)C1 1507703505 WKEKQHJMSOFOKH-NRFANRHFSA-N 466.561 2.438 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1507783417 CPMYZZUWZHFKLK-UTUOFQBUSA-N 473.315 2.245 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1507903575 SGBXGAUKPFNENV-OALUTQOASA-N 495.646 2.424 30 10 JEEE C=CCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CC[C@](C)(C(N)=O)C1 1507955691 ONPMXGYNFQYEGJ-VWLOTQADSA-N 451.619 2.311 30 10 JEEE C=CCNC(=O)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1508093952 DXOBCIHYPWWVOH-SFHVURJKSA-N 463.586 2.346 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCC(CN2CCOCC2)CC1 1508137043 XVNVMGXMEHILSL-UHFFFAOYSA-N 489.642 2.103 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C)CC1 1508146043 UBVDSBWEMOJFGQ-GOSISDBHSA-N 483.635 2.424 30 10 JEEE CCN(CC)C(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1515479402 FFWBZXKSWBEFDL-LJQANCHMSA-N 458.588 2.089 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC(C)(C)N1CCOCC1 1538964084 HPYNXERQNGLJIN-QGZVFWFLSA-N 458.994 2.430 30 10 JEEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1539078750 GOUJHQXBSOVMCT-GBXCKJPGSA-N 480.661 2.322 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1nc(C(F)(F)F)cs1 1539126423 UPOUHJNURSQKJJ-ZDUSSCGKSA-N 492.549 2.136 30 10 JEEE C#CCN(C)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@@]1(O)CCS(=O)(=O)C1 1539154246 NGOYBWALIMBMCQ-IBGZPJMESA-N 450.973 2.432 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1cc(COC(C)(C)C)on1)[C@H]1CCS(=O)(=O)C1 1539223977 ATQZNRNWDGNZOE-FQEVSTJZSA-N 498.609 2.242 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1Cc1ncnn1C(C)(C)C 1539389753 CBFJVZLRHWFYCS-GOSISDBHSA-N 450.522 2.403 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CCCN(C)C(=O)OC(C)(C)C)CC1 1539484328 LEEGUOGGFOSGRN-UHFFFAOYSA-N 458.607 2.453 30 10 JEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccc(C3OCCO3)c2)CC1 1539873777 DIALFVTUHGPCRD-INIZCTEOSA-N 461.588 2.384 30 10 JEEE C=CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCc2nn(C)c(=O)cc2C1 1539974737 TZHFPQSHATZOQK-UHFFFAOYSA-N 453.572 2.282 30 10 JEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2ccccc2F)C1 1540037269 GXHNQIWHRHVDJK-FXAWDEMLSA-N 464.563 2.490 30 10 JEEE C=CCn1c(CCCc2ccccc2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1540859548 MYNWHSPQVYBGIH-UHFFFAOYSA-N 456.572 2.279 30 10 JEEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@@H](CC)C1 1540863893 IKPLXWIAKPRVBE-QGZVFWFLSA-N 459.620 2.475 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CC[C@@H](C(N)=O)C1 1540898426 JYZGAURHINIPGY-QGZVFWFLSA-N 486.623 2.289 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@]2(CC(C(=O)NC3CCN(c4ccc(C#N)cn4)CC3)=NO2)C1 1542785466 CTIOMLLPUACDBA-HSZRJFAPSA-N 454.531 2.194 30 10 JEEE CC[C@@H](C)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CCN1CCN(C(C)=O)CC1 1545533002 AOROLPCPHMMHHK-LJQANCHMSA-N 482.608 2.293 30 10 JEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(N2CCN(CC(=O)OC)CC2)cc1 1565678795 QSTXUFYNPBZTRZ-FQEVSTJZSA-N 458.559 2.227 30 10 JEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 1587766112 ONEKMVWFZZWLAM-FUHWJXTLSA-N 474.583 2.055 30 10 JEEE C#CCN(c1nnc([C@@H](C)OCCOC)n1Cc1cccc2cccnc12)[C@@H]1CCS(=O)(=O)C1 1588034299 CTSQJECWCOELDS-WIYYLYMNSA-N 483.594 2.225 30 10 JEEE C#CCN(c1nnc(-c2ccc(Br)cc2)n1C[C@H](F)COC)[C@@H]1CCS(=O)(=O)C1 1588040583 OSTVXXDYXDSLOO-DLBZAZTESA-N 485.379 2.319 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H]2N(C)CCCC2(C)C)CC1 1588890965 JTFCNNONHDMOHE-LVXARBLLSA-N 486.661 2.016 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCN2CCCC[C@H]2CC)CC1 1588961614 GMHGYEKSZLBAMK-HSZRJFAPSA-N 480.661 2.370 30 10 JEEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1589007730 PMGMZQOAQUIAMM-GOSISDBHSA-N 487.651 2.210 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CCN(CCOC)C(=O)C1 1589506404 VTQMULOAPJQPME-UGKGYDQZSA-N 455.559 2.230 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1594498581 XFAWCSNXCKPGNI-AEFFLSMTSA-N 477.635 2.357 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@](O)(c1ccccc1)C(F)(F)F 1595296595 GSLGRFVXBUYCBO-JXFKEZNVSA-N 453.465 2.318 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1595477458 VKEFEQRDBZXKNF-LQWHRVPQSA-N 472.565 2.016 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](C)CNC(=O)OC(C)(C)C)C1 1595720620 AEHFJYVEXTZGLM-FGTMMUONSA-N 483.635 2.122 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1595760436 MQODJZHNCLAHSA-QHAWAJNXSA-N 494.706 2.019 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1595778103 WOWLDVWVKZWQLM-PKOBYXMFSA-N 475.615 2.236 30 10 JEEE CC(C)(C)C(=O)NCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1596956950 BFLFETJEBJFWQC-IBGZPJMESA-N 484.626 2.383 30 10 JEEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(C(C)(C)C)n1CCC(=O)N1CCCCC1 1612882575 AGRZLNUQKZFDHV-GOSISDBHSA-N 465.606 2.355 30 10 JEEE CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(C)n(C)c1=O 1617267429 DKUMDVWCLCRFJY-KRWDZBQOSA-N 468.583 2.132 30 10 JEEE C=CCN1CC[C@H](N(C)C(=O)c2ccc3c(c2)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N3)C1=O 1639594987 YDDBGNGJOMPWRY-OALUTQOASA-N 456.543 2.324 30 10 JEEE COc1ccccc1[C@@H](CNC(=O)CNS(=O)(=O)c1cccc(C#N)c1)N1CCCCC1 1650721968 CTGWSCRAZVXCNM-OAQYLSRUSA-N 456.568 2.189 30 10 JEEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(OCC)c1OC(F)F 1689965972 HUXCOPLUGQKONR-OAHLLOKOSA-N 454.499 2.298 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCOc1ccccc1C)[C@H]1CCS(=O)(=O)C1 1689989203 BXFOEWDMJMYBNY-UXHICEINSA-N 458.584 2.186 30 10 JEEE C#CCN(c1nnc(COc2ccccc2CC)n1C[C@@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1689997210 XRNWXWKRFZFGSD-CVDCTZTESA-N 460.600 2.207 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](CC)Oc2cccc(F)c2)CC1 1690135000 NZCGDGWBIWADOM-HXUWFJFHSA-N 484.576 2.379 30 10 JEEE C=C(Br)Cn1c(N2CCO[C@@H](c3nnc(C)o3)C2)nnc1[C@@]1(OCC)CCOC1 1690234536 HNJBADLQEHGKRJ-RDTXWAMCSA-N 469.340 2.108 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(N2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)nnc1C(C)(C)C 1690252816 JBHJDKWEZDKUGO-NHCUHLMSSA-N 486.661 2.497 30 10 JEEE C=C1CCN(c2nnc(C(=O)N3CCCC3)n2CCNS(=O)(=O)c2ccc(C)s2)CC1 1690361172 JJWFYOZLQDDTMO-UHFFFAOYSA-N 464.617 2.019 30 10 JEEE C=CCCOCCn1c(-c2ccc(Cl)nc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1690502765 FYSKABQJRLJUFS-UHFFFAOYSA-N 469.011 2.446 30 10 JEEE C=CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1(C(N)=O)CCOCC1)C1CC1 1690553790 HYAKYEYWSIVDLE-CALCHBBNSA-N 474.606 2.486 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CCC[C@H](CC(N)=O)C1 1690661665 CRBSAJQZKICXSS-CQSZACIVSA-N 461.364 2.102 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2C[C@H](C)C(F)(F)[C@H](C)C2)nnc1[C@@]1(OCC)CCOC1 1690731114 ABTNFHQXYUCDBR-JTDSTZFVSA-N 462.563 2.259 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCO[C@H](c3ccco3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1690732045 UINVROPRDPQFIG-SIKLNZKXSA-N 480.587 2.090 30 10 JEEE CCOC[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1696360989 AVPORGMQQGTEGH-VQTJNVASSA-N 472.615 2.351 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1CCNS(=O)(=O)CC 1705479979 MYROJABKJOSFLB-GFCCVEGCSA-N 458.357 2.244 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CC[C@@](C)(CC)O1)[C@H]1CCS(=O)(=O)C1 1705558544 APBWRNJVZDUQGH-SFYKDHMMSA-N 479.647 2.171 30 10 JEEE C#CCN(c1nnc(-c2cc3ccccc3o2)n1CC(C)(C)C(=O)NCC)[C@@H]1CCS(=O)(=O)C1 1705560774 KEBZAKUSXVTAPK-GOSISDBHSA-N 483.594 2.480 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@H](C)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1705563175 RXIGMHMLWFSWED-RXVVDRJESA-N 454.600 2.174 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@H]1OCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1705568155 INTDYSRKHHPYEE-SFHLNBCPSA-N 458.584 2.217 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1([S@](C)=O)CCC1)[C@H]1CCS(=O)(=O)C1 1705571564 BDPHEQSHIXEOPT-BLJJJGSPSA-N 496.699 2.125 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCO[C@@H]1C(=C)C 1705623168 ILBIWABRRDFCTA-PZJWPPBQSA-N 458.584 2.416 30 10 JEEE C=C(Br)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2nccnc2C)CC1 1705691212 BPGAWPNLFSQXRX-UHFFFAOYSA-N 472.395 2.473 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)[C@H](C)C1 1705708441 CJZMYAUPIJGLRQ-FHJLPGHOSA-N 450.543 2.377 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CC)CCOCC1 1705717419 JMSIQPIKXSIIGB-SFHVURJKSA-N 455.625 2.220 30 10 JEEE C=C(C)COCCn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1705731237 UFCILFGUHIUZLZ-NRFANRHFSA-N 455.559 2.374 30 10 JEEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCc2c(ccnc2N(C)C)C1 1705888406 WHEVCQUPECORNM-UHFFFAOYSA-N 467.599 2.405 30 10 JEEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOc2ccccc2Cl)CC1 1705890788 INBDGKAJRIOLKD-QGZVFWFLSA-N 466.007 2.221 30 10 JEEE C[C@@]1(C#N)CCCN(c2nnc(C3CCCC3)n2CCS(=O)(=O)N2CCSCC2)C1 1706934527 BEMPMCQFLQXAJK-FQEVSTJZSA-N 452.650 2.444 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(N2CCC(CO)CC2)cc1 1722274267 IPAGFFLXOYWEGR-IBGZPJMESA-N 450.587 2.229 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1CCCCS1(=O)=O 1722282788 DXVBIYMBPHMKEW-MAUKXSAKSA-N 463.991 2.287 30 10 JEEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1722341051 QPTHAGVESZIIJW-GUDVDZBRSA-N 451.637 2.376 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CC1C[C@H](C)O[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1722359874 WRSPZYXOQKLPTQ-ZWOKBUDYSA-N 479.647 2.027 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1ccc(F)c(F)c1)[C@H]1CCS(=O)(=O)C1 1722365306 DBHUEIJQDOQQAM-LPHOPBHVSA-N 450.511 2.473 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2C[C@](C)(O)CCC)CC1 1722446484 XUMAPWXNRWGEGZ-RUZDIDTESA-N 477.569 2.111 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1722518193 WSFBGAPPYPNTIQ-OTWHNJEPSA-N 453.653 2.470 30 10 JEEE C=C(C)COCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(C(=O)NCC)CC1 1722530078 LYKVODSFJAKIAW-UHFFFAOYSA-N 456.547 2.161 30 10 JEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 1722617237 IHECARATVDIFQR-PMACEKPBSA-N 477.635 2.232 30 10 JEEE C=CCCOCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@H](NC(=O)OCC)C1 1722625583 XDFMBPKLNBJQRD-INIZCTEOSA-N 460.535 2.313 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCOC[C@@H]1OC 1722657184 UKCKKBDGRNLHRM-BDTNDASRSA-N 485.610 2.296 30 10 JEEE C=CCOc1ccc(Cn2c(CN3CCCC3=O)nnc2N2C[C@H](C)O[C@@H](COC)C2)cc1 1722704338 GUEOSGBWIOPWCE-GHTZIAJQSA-N 455.559 2.254 30 10 JEEE C=CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(NC(=O)COC)CC1 1722736081 VPFMYLKEHMBOSS-UHFFFAOYSA-N 459.572 2.324 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(c2nc(C)c(C)s2)CC1 1722736605 CHQQFDGXCRFUJN-QGZVFWFLSA-N 466.633 2.130 30 10 JEEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(C(N)=O)CCOCC2)CCN1CC(F)(F)F 1726662591 HSQWQIBJSLRKGG-MRXNPFEDSA-N 491.518 2.172 30 10 JEEE COCC[C@@](C)(O)Cn1c(Cc2cccnc2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1730631751 AWYRMJJOIPSUBB-AREMUKBSSA-N 475.597 2.245 30 10 JEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1C[C@H](C1CC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1740625614 ORZBJJZURBHPIB-NHCUHLMSSA-N 476.046 2.489 30 10 JEEE C#CCN(CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1740661858 LAHHJMVHNNSRMV-FOIQADDNSA-N 452.964 2.081 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(C(C)(C)O)cc2)CC1 1740706118 PVNZASIGCBEWES-OAQYLSRUSA-N 465.598 2.414 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CCCC2CCOCC2)CC1 1740707169 RJLXBUPKQOOILE-UHFFFAOYSA-N 450.587 2.437 30 10 JEEE C#CCSCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1740713796 QXWQOKOPHRHJFZ-GOSISDBHSA-N 470.599 2.321 30 10 JEEE C#CCSCCn1c(COc2ccccc2OC)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1740722411 IOMOTHVFPXWRBN-UXHICEINSA-N 471.627 2.389 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1sccc1C 1740731925 LQZWPSCDHYAFBU-LAUBAEHRSA-N 463.629 2.216 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(S(C)(=O)=O)cc1 1740735747 BTJOBCFXJOEDOK-GREBRCKQSA-N 458.584 2.446 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C)[C@@H](C)C1 1740759148 AEDGPEXLRNEBLL-RMMWZPCPSA-N 467.636 2.075 30 10 JEEE C=C(C)COCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1740790030 ODEXIMFMQQWSQX-GOSISDBHSA-N 491.614 2.075 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCN2CCCC[C@@H]2C1 1740953385 DQDWPTFJIDYXBL-MRXNPFEDSA-N 462.396 2.023 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@]3(CCOC3)C2)cc1 1740965101 DCIFDJHXVGJDDM-VGSWGCGISA-N 461.588 2.118 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(C)=O)CC1 1740968243 GEBTZSHOJKGMEP-UHFFFAOYSA-N 461.526 2.207 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2OC)nnc1N1CCCO[C@@H](C)C1 1740994010 LXAWACBWRMIADE-KRWDZBQOSA-N 450.561 2.082 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(OC)c(OC)c1OC 1748637529 BIRGMHYLIVTUNN-OAHLLOKOSA-N 450.499 2.457 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@@](C)(O)C(C)C)[C@H]1CCS(=O)(=O)C1 1748823759 BFMHQJLRBBEPIA-PGRDOPGGSA-N 464.563 2.030 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H](C)CN1CCOCC1 1748889262 HDQPCKDCNTVITB-HXUWFJFHSA-N 451.571 2.394 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccnc(N2CCCCC2)c1 1748891801 GHVIUMMKCFLHIV-OAQYLSRUSA-N 466.611 2.077 30 10 JEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1CCCN1CCN(c2ccccc2)CC1 1748900687 KNAQFDGAAQKGQQ-UHFFFAOYSA-N 473.625 2.076 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C2CC2)n1 1748970769 RIWBBSKTOABVBS-UHFFFAOYSA-N 454.556 2.166 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2nc(C(F)(F)F)cs2)CC1 1748977767 CHRZQQJDGNKBOM-IBGZPJMESA-N 470.521 2.209 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC[S@@](=O)C(C)(C)C)CC1 1749001694 YWLJYGVXYYCNGU-TUOSPABCSA-N 492.690 2.351 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2Cc2ccc(C(=O)NCC)cc2)CC1 1749014218 GMFDLDIPBOFKKK-UHFFFAOYSA-N 450.587 2.240 30 10 JEEE C#CCSCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCO[C@H](CNC(C)=O)C1 1749031602 CCTXXQFOAHHARY-GOSISDBHSA-N 452.584 2.145 30 10 JEEE C#CCSCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCN(C(=O)COC)CC1 1749032503 JRDMGELQMYHHMM-UHFFFAOYSA-N 466.567 2.262 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1749037268 CQDSSOMFEBAJLL-LJQANCHMSA-N 485.635 2.466 30 10 JEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccc(C(=O)NCCC)c2)CC1 1749286944 VQKWRALFPPWIMB-KRWDZBQOSA-N 460.604 2.233 30 10 JEEE C=CC1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCNS(=O)(=O)CC)CC1 1749323619 IGEUNKLFKZWEFO-UHFFFAOYSA-N 481.022 2.203 30 10 JEEE C=CCNC(=O)Cn1c(N2CCO[C@H](c3ccccc3C)C2)nnc1[C@]1(OCC)CCOC1 1749681900 KHKZFYMGIPDQIY-RDPSFJRHSA-N 455.559 2.119 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@](C)(CC)C1 1749740798 YYOSOSKFSIQGAP-QFIPXVFZSA-N 459.572 2.335 30 10 JEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1749755407 GUWMLZSYFNHCJV-GOSISDBHSA-N 493.630 2.201 30 10 JEEE CC(=O)NC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCC[C@@H]2CCCCO2)CCO1 1750021305 BYRAKXPPGWUZIV-GMAHTHKFSA-N 482.585 2.419 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1ccc(-n2cncn2)nc1 1760213184 SPIILDYSFDPXHR-UHFFFAOYSA-N 453.466 2.340 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCCO3)n2CC2CCN(C(=O)OC)CC2)n1 1760253029 UWFAOTYLLLKDGQ-JOCHJYFZSA-N 499.616 2.481 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccccc2C(F)(F)F)CC1 1760269082 XNAFRSXJFUYHAA-GOSISDBHSA-N 474.487 2.262 30 10 JEEE C#CCSCCn1c(N2CCN(CC(C)C)C(=O)[C@@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 1760286187 DZDDUBJSTJAEJC-WMZHIEFXSA-N 463.648 2.378 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C)C(C)(C)C1 1760322420 SGRWDAYYZPJZJN-ZRNYENFQSA-N 481.663 2.465 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCC1CCOCC1 1760336834 KBJITCIBUFPKGI-IBGZPJMESA-N 455.625 2.220 30 10 JEEE C=CCCOCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCCO[C@H](C)C1 1760448282 YMILZXFJAYWHBV-GOSISDBHSA-N 463.604 2.403 30 10 JEEE C=CCCOCCn1c(-c2noc3c2COCC3)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1760449409 JAYZTXWIADBWEU-AWEZNQCLSA-N 484.479 2.103 30 10 JEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](CC)Oc1ccccc1F 1760465154 XYSRWWLTNXEYDO-QFBILLFUSA-N 467.567 2.230 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C)N1CCOCC1 1760477679 HPVKHZOFAXTYEW-RXVVDRJESA-N 454.575 2.151 30 10 JEEE CC(=O)N(CCN)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1 1868782521 JUWMVFXXFKORKI-FGZHOGPDSA-N 499.612 2.225 30 10 JEEE C=CCn1cc(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c(=O)cc1CN(CCOC)CCOC 1870397331 AITBFPDHXUIVPY-UHFFFAOYSA-N 474.514 2.055 30 10 JEEE C=CCn1cc(OCC(=O)Nc2cccc(Cl)c2Cl)c(=O)cc1CN(CCO)CCO 1870742381 BQXHURGULKYYMZ-UHFFFAOYSA-N 470.353 2.145 30 10 JEEE C=CCn1c(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc2c(N3CCN(C)CC3)ncnc21 1873561309 KPKCOQFMOAZROF-UHFFFAOYSA-N 490.568 2.240 30 10 JEEE CN(C)CC#CCNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 1890621462 QWRVZEKPAQTJSG-MRXNPFEDSA-N 451.898 2.193 30 10 JEEE N#Cc1cccnc1N1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Cl)s3)C2)CC1 1892188725 XOCKCLSSODVYSV-MRXNPFEDSA-N 480.015 2.418 30 10 JEEE CC[C@](COC)(NC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2124523286 DLLTWLOVZQOOSJ-OAQYLSRUSA-N 450.345 2.034 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2124535999 YQHXLECASIREJO-PBHICJAKSA-N 450.316 2.434 30 10 JEEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cc(Br)c(F)cc2N)[C@@H](C#N)C1 2162920011 BNJONWGBWSMLDK-JTQLQIEISA-N 463.329 2.304 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2scc(B3OC(C)(C)C(C)(C)O3)c2Cl)[C@H](O)C1 2255600925 UWBUUDOYPZYQOP-QWHCGFSZSA-N 472.800 2.411 30 10 JEEE Cn1nc(C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2255655700 PTCUQMCUBOAWTI-LBPRGKRZSA-N 454.764 2.112 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1COC[C@@H]1NC(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2255704085 CHKWZBCHQJUZST-HIFRSBDPSA-N 452.382 2.317 30 10 JEEE CC(C)(C)OC(=O)N1CCSC[C@@H]1C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2256625257 ULLVUBFGWUQJAH-CQSZACIVSA-N 469.438 2.411 30 10 JEEE CC1(C)OB(c2scnc2C(=O)N2C[C@H]3OCCN(Cc4ccccc4)[C@@H]3C2)OC1(C)C 2267480823 GMESKAPVCWUUBN-QZTJIDSGSA-N 455.389 2.168 30 10 JEEE CN(CC(C)(C)CNC(=O)OC(C)(C)C)C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2267510967 UVQNPSRKUDKZBR-UHFFFAOYSA-N 450.389 2.342 30 10 JEEE CC(C)(C)OC(=O)N1[C@@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)CC[C@@H]1C1CC1 2268643854 LZKHDKCXBSERDJ-ZIAGYGMSSA-N 464.397 2.376 30 10 JEEE C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2sc(B3OC(C)(C)C(C)(C)O3)cc2C1 2268646013 HZIAFFGGQVXTKB-GUYCJALGSA-N 466.409 2.206 30 10 JEEE Cc1nc(NC(=O)[C@H](F)C2CN(C(=O)OC(C)(C)C)C2)ncc1B1OC(C)(C)C(C)(C)O1 2268655325 KKRWKCIXOLBWKC-OAHLLOKOSA-N 450.320 2.228 30 10 JEEE C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)C[C@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2268706948 OOQVXATYDUZCFE-MGPQQGTHSA-N 466.413 2.479 30 10 JEEE Cn1cc(C(=O)N2CCCC3(CN(C(=O)OC(C)(C)C)C3)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2281979960 HKAGGVMEEYTXLX-UHFFFAOYSA-N 460.384 2.192 30 10 JEEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1C[C@@H]2C[C@H](OCc3ccccc3)C[C@@H]21 2282175026 ISVWDVQSPZSZOL-CADBVGFASA-N 452.364 2.228 30 10 JEEE CC(C)(C)OC(=O)N1CCn2[nH]c(=NC(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)o3)cc2C1 2282205719 VOAHZHRTAXRDLO-UHFFFAOYSA-N 458.324 2.200 30 10 JEEE CCN(C(=O)OC(C)(C)C)[C@H]1CCN(S(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282351276 YKHUWZUYLAEXGH-KRWDZBQOSA-N 481.424 2.401 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](NS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C(C)(C)C1 2282352740 BODDUSADOAVNEZ-QGZVFWFLSA-N 481.424 2.305 30 10 JEEE C[C@H]1CCN(C(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C[C@H]1CNC(=O)OC(C)(C)C 2282551661 FJFPSLIGLFVXBL-JKSUJKDBSA-N 462.400 2.342 30 10 JEEE CC(C)(C)OC(=O)NC1CC(F)(CNS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282828364 NCFHLJDMQWNUEK-UHFFFAOYSA-N 485.387 2.055 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)[C@H]2CC[C@H]21 2283056435 NSTQWFGEHSICPH-OWCLPIDISA-N 458.368 2.294 30 10 JEEE COC(=O)[C@H](CC(=O)N[C@H](C)c1nscc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2283927064 WFCOGLGAJVSWGR-OCCSQVGLSA-N 483.396 2.076 30 10 JEEE Cc1ccnc(C(=O)N[C@H](CN(C)Cc2ccccc2)C(=O)O)c1B1OC(C)(C)C(C)(C)O1 2284433539 NGMWRUFVZIGFDX-GOSISDBHSA-N 453.348 2.004 30 10 JEEE COc1cc2[nH]c(C(=O)O)c(C=Nn3cnnc3SCC(=O)NCc3ccco3)c2cc1OC 2321876562 GRIOTECUFPDIMK-UHFFFAOYSA-N 484.494 2.359 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@H]1CNc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2365061437 UUYBAMTYIVQKDW-WSISFWEXSA-N 461.368 2.479 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(OCC)c(S(=O)(=O)N(C)C)c3)cc2C1=O 15095059 BRRHPNAFIHWZIG-UHFFFAOYSA-N 457.508 2.370 30 10 JEEE CC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)CSc2n[nH]c(N/N=C/c3cccnc3)n2)cc1 21038572 QPKDRKGTASJZGA-OFJBCHTGSA-N 488.599 2.453 30 10 JEEE CCCCCCCCO[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 100037002 RNGLREVZONTJLS-ZGJYDULXSA-N 460.520 2.447 30 10 JEEE COc1ccc(/C=N/NS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c(Br)c1OC 169907834 SDVFNZCPGNNAGO-QGMBQPNBSA-N 456.274 2.213 30 10 JEEE N#CCC(=O)NCC1CCN(C(=O)[C@@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)CC1 219528206 JNSRPHUPDGTGPO-JOCHJYFZSA-N 458.518 2.162 30 10 JEEE C=CCn1c(=C(C#N)C(=O)CC(C)(C)C)sc(=Cc2cc3c(cc2OCCOC)OCO3)c1=O 518844445 LTECXVYAQGVWAK-UHFFFAOYSA-N 484.574 2.358 30 10 JEEE C=CCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2ccc3c(c2)OCCO3)c1=O 654765544 DJDORWDYFQAZOT-UHFFFAOYSA-N 460.511 2.262 30 10 JEEE CC1(C)OB(c2ccccc2NS(=O)(=O)CCN2C(=O)c3ccccc3C2=O)OC1(C)C 707709169 XRMVBWAAANJWIN-UHFFFAOYSA-N 456.329 2.024 30 10 JEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1ccc(OCCN(C)C)c(Cl)c1 1136750651 DWODBYWXMWVDIB-CQSZACIVSA-N 450.948 2.458 30 10 JEEE C#C[C@@H](CO)NC(=O)c1cc(S(=O)(=O)Nc2cc(Cl)c(OC)cc2OC)ccc1C 1159762306 MRCRDBVXVFEZGK-ZDUSSCGKSA-N 452.916 2.190 30 10 JEEE Cc1nc(C#N)c(N2CCN(C(=O)CN(C)CCC3CCN(c4ccncc4)CC3)CC2)o1 1192909085 CCRPFZXMUOCOOB-UHFFFAOYSA-N 451.575 2.137 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccc(OC)nc2)c1 1286307857 BQWKXHYENBQCRS-AREMUKBSSA-N 490.564 2.438 30 10 JEEE C#CCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1286344612 CANWOCUUKMVTHB-ICSRJNTNSA-N 467.570 2.497 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1286384404 QMKFSGNFDVTCAA-SJORKVTESA-N 496.431 2.242 30 10 JEEE C#CCN(c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H](OC)[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1286389743 PSZFIKZTZWRWNW-QKLQHJQFSA-N 498.609 2.282 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@@H]1CCN(CC(F)(F)F)C1)[C@@H]1CCS(=O)(=O)C1 1286394183 NTWRMGBIOTWQJY-IAGOWNOFSA-N 475.581 2.378 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC[C@H](C)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 1286396094 UFVGYPQDFWENOB-HBMCJLEFSA-N 463.648 2.063 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cnn(Cc2ccccc2)c1 1286396483 FVMDZFORLACFCB-UHFFFAOYSA-N 450.506 2.291 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCCCC2(F)F)CC1 1286494920 WAXVGJJEKANZRM-SFHVURJKSA-N 462.545 2.192 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC[C@H](NC(C)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1286562300 JZTQBLSYYZVATL-XBJMDHIQSA-N 461.607 2.405 30 10 JEEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1286710098 MLQZVOVHWSFCBT-IBGZPJMESA-N 453.522 2.159 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 1286788294 UIPHPPMCNRKQSB-KRWDZBQOSA-N 458.588 2.154 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCN2c3ccccc3C[C@H]2C)C1 1286801434 YXLHOGOFCYAMNB-WSTZPKSXSA-N 474.631 2.121 30 10 JEEE C#CCCCn1c([C@@H]2CCCCO2)nnc1N1CCN(C[C@H](O)COc2ccccc2)CC1 1300409754 UKEYAUZYZCBJAJ-GMAHTHKFSA-N 453.587 2.495 30 10 JEEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@@H]1CCN(CCC)C1)[C@@H]1CCS(=O)(=O)C1 1300487069 FNSCTVCXFSCBTK-RTBURBONSA-N 459.591 2.443 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2C[C@H](C)Cc2ccc(OC)c(OC)c2)CC1 1300700755 VPJFFHUTZQHCAQ-CTNGQTDRSA-N 453.587 2.433 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2cnn(CC)c2)CC1 1300710704 IWHDMXDJYYILSP-BGYRXZFFSA-N 468.606 2.069 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CC2(SC)CCOCC2)CC1 1300721790 ALOXCLUFOJKEOG-IBGZPJMESA-N 461.632 2.398 30 10 JEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2ccccc2C)C1 1300732720 DPUPTLOETWRWLK-PKOBYXMFSA-N 463.629 2.141 30 10 JEEE C=C(Br)Cn1c(N2CCO[C@H](c3noc(C)n3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1300862635 BLHDPXVFKXZLGL-HNAYVOBHSA-N 483.367 2.497 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H](OC)C1 1300870569 UNCYFCKZLBTURM-SFHLNBCPSA-N 475.615 2.402 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1301137464 RQYFTOAMYLXWNB-IAGOWNOFSA-N 454.641 2.184 30 10 JEEE COC[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCS(=O)(=O)C2)C1 1301281394 ANPHFPOYSIZTHL-RTBURBONSA-N 459.572 2.026 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1301483865 XGWKTZQLFUQOSS-KBPBESRZSA-N 450.385 2.257 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCC(N2CCCC2=O)CC1 1301588112 WCJFFNFYBYSSRR-UHFFFAOYSA-N 471.627 2.369 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1301588211 DCHLCQVBHJQOOS-OALUTQOASA-N 497.662 2.466 30 10 JEEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1301594558 GUSVFFHVMGQJGE-UHFFFAOYSA-N 472.619 2.428 30 10 JEEE C=CCSCCn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1301615925 YLZRYWBILMAFMI-UHFFFAOYSA-N 486.617 2.198 30 10 JEEE Cc1nc(N2CCN(c3nnc(-c4ccc(C#N)cc4)n3CCS(C)(=O)=O)CC2)sc1C 1304055273 GYLNMVPDQVRHEI-UHFFFAOYSA-N 471.612 2.261 30 10 JEEE Cc1noc(CCCn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCC(C#N)CC2)n1 1304893994 FLPVDTBLKZZBRN-UHFFFAOYSA-N 455.544 2.413 30 10 JEEE COC(=O)C1(C#N)CCN(CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)CC1 1307774878 HEIGUAPIUPIYLH-QGZVFWFLSA-N 453.543 2.135 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@](C)(O)[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1358956222 BYZIVHIIWCKKOU-IIMJZQEZSA-N 498.447 2.460 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@H]1CCN(CC(F)(F)F)C1)[C@@H]1CCS(=O)(=O)C1 1358962785 WZCGUNBVZLHYDM-KSZLIROESA-N 489.564 2.031 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H](OC)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1358965456 VLKDJOAMQBLOQP-FCHUYYIVSA-N 465.579 2.278 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@]1(C)CN(C2CC2)C1=O 1358983260 AYHWSEBTIPHHQW-UQBPGWFLSA-N 466.586 2.434 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCc2ccc(OC)c(OC)c2Cl)CC1 1359028539 VXAZSZGGJCWMDD-UHFFFAOYSA-N 474.993 2.085 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2Cc2ccc(N3CCO[C@@H](C)C3)nc2)CC1 1359045662 PDCDNBDDVMKUCO-FQEVSTJZSA-N 479.629 2.111 30 10 JEEE C#CCSCCn1c([C@H](CC)c2ccccc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1359049417 OTVCQGAOBZWBSW-OAQYLSRUSA-N 454.644 2.397 30 10 JEEE C#CCSCCn1c(-c2cc(Br)cn2C)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1359050547 ULKSBCSHWCJISF-HIFRSBDPSA-N 463.405 2.127 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN(C)CC(F)(F)F 1359067557 SMQCMMVVLZONNW-HXUWFJFHSA-N 459.480 2.407 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1359093401 NFXAFHMXEBBEJP-POAQFYNOSA-N 496.655 2.199 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 1359097874 VBEDNQCCZKVEMD-DSKINZAPSA-N 473.599 2.250 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1359332527 ZTBLNTVBIHWBJM-PMACEKPBSA-N 477.635 2.245 30 10 JEEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1nc(N)nc(N2CCOCC2)n1 1442973401 MIJGNKXLTFPLIC-UHFFFAOYSA-N 451.300 2.020 30 10 JEEE CNS(=O)(=O)CCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CC[C@@](F)(C#N)C1 1503830336 IFAISKNNLYRIDB-ORAYPTAESA-N 452.581 2.123 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2CC)n1CCS(=O)(=O)N1CCSCC1 1507544750 BTCAETFPARXHMR-GOSISDBHSA-N 477.656 2.256 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@H](c1ccco1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1507633127 BJLYSLNLCHOWMO-NHCUHLMSSA-N 497.621 2.400 30 10 JEEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1Cc1cc(C)nn1C)[C@@H]1CCS(=O)(=O)C1 1507638580 GILHSPGNDPRBBW-GOSISDBHSA-N 489.001 2.227 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CCCCC3)n1CC1(O)CCS(=O)(=O)CC1 1507644726 MVRJEKJSTWPACJ-UHFFFAOYSA-N 472.636 2.288 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCCc2nc(C)no2)CC1 1507732296 DYACIVUTHIYJBI-IBGZPJMESA-N 484.605 2.430 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC)n2Cc2ccc(NC(=O)NC(C)C)cc2)CC1 1507743127 ZXAKTEYKHZKMIA-UHFFFAOYSA-N 451.575 2.385 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@H]1C 1507810597 XLZWKSYDJIWEHA-BOCKYXSRSA-N 450.543 2.377 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCO[C@H](c2ccccc2)C1 1507830675 PMNPSKYHTFGCPW-VQTJNVASSA-N 461.588 2.155 30 10 JEEE C=C(C)Cn1c(CCCc2ccccc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1507832530 CCFGDWTTZMEBMO-UHFFFAOYSA-N 452.603 2.010 30 10 JEEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 1507954612 OSHMJSVHTCTMIP-IBGZPJMESA-N 475.590 2.177 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C(C)(C)C)no1 1508022404 YHZFBAQVZYMEIE-QGZVFWFLSA-N 464.592 2.123 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCO[C@@H](c2ccc(F)cc2F)C1 1508084029 FNLYXDNBPAALFH-HXUWFJFHSA-N 454.481 2.422 30 10 JEEE COC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCN(C)C(C)(C)C2)CC1 1517668275 HNWMYJBYBLYRCO-UHFFFAOYSA-N 465.602 2.232 30 10 JEEE C#CCN(c1nnc(CCOc2ccccc2)n1CC(=C)Br)[C@H]1CCS(=O)(=O)C1 1539229582 FBKVWDLJWBHKCR-KRWDZBQOSA-N 479.400 2.435 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCOC3)n2Cc2ccncc2Cl)n1 1539424959 ZUMDQIINKMKCFL-SFHVURJKSA-N 455.950 2.361 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2cccs2)CC1 1539470334 MRRJGMRNSKIQQH-UHFFFAOYSA-N 483.619 2.424 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(S(C)(=O)=O)CCCC2)CC1 1539474139 KHCMKLRCHSYVAL-UHFFFAOYSA-N 494.621 2.140 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCN2CC)CC1 1539488692 NLQYTDUFULVANC-QFIPXVFZSA-N 475.597 2.179 30 10 JEEE C=CCN(c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@]1(O)CCS(=O)(=O)C1)C1CC1 1540099140 RQECUFOLOFECDS-FQEVSTJZSA-N 454.499 2.251 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1CC1([S@](C)=O)CC1 1540122146 ZTUKFSZZSVRIBP-YTTGMZPUSA-N 452.584 2.489 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@@H](CNC(C)=O)C2)cc1 1540876893 FKIAURFKZASAAL-FQEVSTJZSA-N 454.575 2.382 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc4ccccc4n3)n2CCS(=O)(=O)N(C)C)C1 1540886564 FYEGPOFBSTZRJF-GOSISDBHSA-N 456.572 2.166 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN(C)C2CCCCC2)C1 1540892096 FMVAUHKAXHFXJQ-AZUAARDMSA-N 451.637 2.226 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCC(=O)NCCC)C1 1540892659 PTMGUHSZHXAYGE-OALUTQOASA-N 492.621 2.284 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)N2CCCC2)CC1 1540903364 CCLJZTYSPTVDJU-UHFFFAOYSA-N 486.642 2.116 30 10 JEEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)Cc2ccccc2C)CC1 1540914898 FRDHDAYVVIARJD-HXUWFJFHSA-N 468.627 2.348 30 10 JEEE COC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)CC2CC2)C1 1554514199 FLTMFIVOQUPLIP-IBGZPJMESA-N 457.556 2.031 30 10 JEEE C#Cc1cccc(NC(=O)NC(=O)CN2CCCN(c3nnc(C(F)(F)F)s3)CC2)c1 1559745879 GSWPRQOGAGMFBY-UHFFFAOYSA-N 452.462 2.399 30 10 JEEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1587798345 HWIWHXQRRXKFPQ-ZJOUEHCJSA-N 469.590 2.203 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@](C)(O)c1ccco1)[C@@H]1CCS(=O)(=O)C1 1588059457 OLUSFVPRELUCSM-XXBNENTESA-N 472.542 2.135 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1CCCN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1588064843 QFCHVUYDCSCKRC-FQEVSTJZSA-N 461.657 2.433 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H]2CCC[C@H](O)C2)CC1 1588899190 MHXSGMDTPQUJPC-NQIIRXRSSA-N 481.597 2.479 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2C[C@@](C)(O)[C@@H](C)CC)CC1 1588907824 GXEGBWWGDBPLEI-HFJWLAOPSA-N 481.597 2.479 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2Cc2nnc(CC)s2)CC1 1588955453 XOWPNTZKBLHEQW-UHFFFAOYSA-N 463.611 2.491 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)N(C)[C@@H](C)c1ccccc1 1589068713 DAMLNFLXKFRKBA-AZUAARDMSA-N 489.667 2.202 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2OC)nnc1N1CC[C@H](S(C)(=O)=O)C1 1589571615 ZOKVLSPQINWGMK-FGSXEWAUSA-N 476.599 2.470 30 10 JEEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1593712301 YGYFXERCRJKCTD-JPYJTQIMSA-N 476.599 2.326 30 10 JEEE C=C(C)COCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCNC(=O)CC1 1593746301 AOHVMGMJSGKDKR-UHFFFAOYSA-N 462.595 2.312 30 10 JEEE C=C(C)COCCn1c(Cc2ccccc2F)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1593753060 UYXUFMGIXGPEMY-UHFFFAOYSA-N 453.522 2.187 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cccc(C(=O)N(C)C)c2)CC1 1594237966 ZMPDHTYGWJKIRD-HXUWFJFHSA-N 457.600 2.333 30 10 JEEE C=CCC(C)(C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1594522241 ZPHHZEFLXRMDQE-IBGZPJMESA-N 466.586 2.223 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N(C)CC1CN(C(=O)OCc2ccccc2)C1 1595545073 QSKWSXMIIDVPJW-OAQYLSRUSA-N 482.585 2.179 30 10 JEEE Cc1cc(Br)cc(C)c1N1CCC[C@@H](NS(=O)(=O)N2CCO[C@H](C#N)C2)C1 1622112928 GANNCHXHALXTPT-IAGOWNOFSA-N 457.394 2.094 30 10 JEEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)CC(=O)N1CCC[C@@H](C(=O)OCC)C1 1631845075 JTVNTPAORHLLJR-MSOLQXFVSA-N 453.580 2.496 30 10 JEEE CC(C)(C)OC(=O)N1CCC(S(=O)(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC1 1662686962 BXJZMOHJDLCYHT-ZBFHGGJFSA-N 458.581 2.064 30 10 JEEE C=CCS(=O)(=O)CCNC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1 1673737086 LYBAAZOCWITYGX-RELWKKBWSA-N 456.590 2.002 30 10 JEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(=O)c2ccccc2F)CC1 1689874981 HLOVHHCQFXFLKC-SFHVURJKSA-N 490.605 2.183 30 10 JEEE C#CCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1689913472 OTXVICKKUAKVKR-IBGZPJMESA-N 482.560 2.242 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](c2nc(CC)cs2)C1 1689930327 PHUKTMNMDUFMID-MJGOQNOKSA-N 492.671 2.427 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1Cc1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 1689982345 KZJZPVKGKDLILK-AVRDEDQJSA-N 479.002 2.259 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1C[C@H](C)O[C@@H](C)C1 1690098027 SFYFODPAWKFYKU-ROUUACIJSA-N 450.547 2.210 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccccc2Br)n1C[C@H]1CCCN1S(C)(=O)=O 1690098673 QLJVXJWDHOBEAU-MRXNPFEDSA-N 496.431 2.218 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CCNC(=O)c2cccs2)CC1 1690150488 KDXTVEHFTJNPKS-UHFFFAOYSA-N 497.650 2.091 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](c2ccsc2)N(C)C)CC1 1690375913 XAMFGBRYRRPVMB-RTBURBONSA-N 480.660 2.132 30 10 JEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1C[C@@H](OCC)C1(C)C 1690484749 CJRLIDHHFVNPHX-OKZBNKHCSA-N 455.625 2.217 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CN2CCCC2=O)n1CC(=O)NCC(F)(F)F 1690561689 ZDTKKTIEENBJRK-UHFFFAOYSA-N 475.475 2.143 30 10 JEEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(Cl)nc2)n1C[C@]1(O)CCS(=O)(=O)C1 1690605561 OSXPMUYKLDRZFG-OAQYLSRUSA-N 477.974 2.371 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1690660800 OOKLOTYSFSGLEK-MFEFFIJZSA-N 459.522 2.244 30 10 JEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N(C)C1CCN(C(=O)c2ccccc2)CC1 1690675272 VATIHRAVIJDKQP-UHFFFAOYSA-N 490.612 2.183 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1690675891 ISAZAKYVMRSBGV-OAQYLSRUSA-N 465.558 2.088 30 10 JEEE Cc1cc2cc(Cn3c([C@@H]4CN(S(C)(=O)=O)CCO4)nnc3N(C)C[C@@H](C)C#N)ccc2[nH]1 1693013493 CVGYNTCMXSJXMN-YWZLYKJASA-N 471.587 2.045 30 10 JEEE CCN1C[C@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2CC2CCS(=O)(=O)CC2)C[C@H]1C 1695813196 FENOFZHJZISCBY-MOPGFXCFSA-N 486.642 2.472 30 10 JEEE CN(Cc1cccc(C#N)c1)c1nnc(C(=O)Nc2ccccn2)n1CC(=O)NCC(F)(F)F 1696687971 FULAHVRCTORPME-UHFFFAOYSA-N 472.431 2.112 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1ccc(OC)c(OCC)c1)[C@@H]1CCS(=O)(=O)C1 1705566648 PGNAUMOIZVUSMI-VQTJNVASSA-N 488.610 2.254 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 1705568280 KCEDIPZJSAFSSG-HXUWFJFHSA-N 473.002 2.468 30 10 JEEE C#CCN(c1nnc(COc2ccccc2OC)n1C[C@@H]1OCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1705568965 XLYPNRXBSGBDHE-NQIIRXRSSA-N 488.610 2.308 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1CC[S@](=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1705571230 WZCDEXQSONUHCP-QJWGWKRISA-N 476.668 2.351 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)N(CC)CC 1705583306 UYQRMTBSIPEVAD-WOJBJXKFSA-N 458.607 2.390 30 10 JEEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccccc1CN1CCC(O)CC1 1705605382 JDTXEQQVOZQNLN-AREMUKBSSA-N 467.614 2.395 30 10 JEEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@H](c2nnc3n2CCC3)C1 1705651575 BLJAXLAAUNBHQW-KRWDZBQOSA-N 470.647 2.485 30 10 JEEE C=CCCOCCn1c(N2CCC[C@@H](C(N)=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705832886 MSOGVCIUVHDCKU-KURKYZTESA-N 462.595 2.343 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 1705904436 PIAZWIDIPZHIBX-HLIPFELVSA-N 498.584 2.442 30 10 JEEE C=CCOc1ccccc1Cn1c(Cc2ccccn2)nnc1N1CCN(C(=O)COC)CC1 1705913306 KJUXGLRXFYXQRA-UHFFFAOYSA-N 462.554 2.172 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1705935590 WJUMUSYKJLBWEE-IBGZPJMESA-N 453.653 2.016 30 10 JEEE CCCOc1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@H](CNC(C)=O)C2)cn1 1709861321 DNYIMBLCMJERKJ-JOCHJYFZSA-N 475.553 2.390 30 10 JEEE C#CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1722330131 OZSWHOHYTAFSGE-IBGZPJMESA-N 461.570 2.393 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](c2ccc(OC)cc2)C1 1722332124 DEDAUTPKGRJFHM-TZIWHRDSSA-N 473.599 2.027 30 10 JEEE C#CCCCn1c(N2CCN([C@@H](C)c3nc(C)no3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1722341440 XZMHUQJYIUYKGO-MBSDFSHPSA-N 457.579 2.307 30 10 JEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](C(CC)CC)N1CCOCC1 1722350261 RNDWSTINYVZIAU-OAQYLSRUSA-N 487.674 2.445 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Br)n1C[C@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1722364431 ZSVPHSNOVWCKBV-LSDHHAIUSA-N 467.389 2.369 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2Cc2ccc(N(C)C)nc2)CC1 1722446417 VWKZADBQFBODMW-UHFFFAOYSA-N 458.570 2.124 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(CC)(CC)SC)CC1 1722448308 XVNVBGPRLXVJCZ-GOSISDBHSA-N 481.688 2.068 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1722508554 JMURPMFMDJQIKT-UGKGYDQZSA-N 474.631 2.105 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cc(F)cc(F)c2)CC1 1722538025 SVQYCAWPOCCTDQ-QGZVFWFLSA-N 481.569 2.378 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1722701304 MGCXQKMZWIEJMX-UHFFFAOYSA-N 470.521 2.128 30 10 JEEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](Oc2ncccc2F)C1 1722702553 PLUWQVQUOQYMOC-MRXNPFEDSA-N 499.572 2.154 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(C)(C)N2CCCCC2)C1 1722718102 HCEMDZANGGPKML-OALUTQOASA-N 451.637 2.226 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1722729938 BTWLTQYBBSYFDX-UTKZUKDTSA-N 466.629 2.306 30 10 JEEE COCC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2nccnc2C)CC1 1730624542 FNAANWRTONLYGD-DEOSSOPVSA-N 462.558 2.029 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1CCn1cc(Cl)cn1)[C@@H]1CCS(=O)(=O)C1 1740627552 IIIKADRXGRFMIG-QGZVFWFLSA-N 492.964 2.173 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@]1(N(C)C)CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1740627754 SEVBRCUVFZIYHF-XARGGIHNSA-N 477.675 2.309 30 10 JEEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1C[C@@H]1C[C@H](F)CN1Cc1cccs1 1740641025 BTGGMTRWSVORCI-OALUTQOASA-N 454.575 2.147 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1C[C@H](c1cccc(C)c1)N1CCOCC1 1740644595 MWUHKZXCMYCOFD-HSZRJFAPSA-N 462.598 2.261 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC(C)(C)N2CCC[C@@H](C)C2)CC1 1740690398 TWJQMSFMFRIYQL-HXUWFJFHSA-N 464.618 2.191 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2CC(=O)N(C)C)CC1 1740697387 CFFXBXDUISXWFC-UHFFFAOYSA-N 465.783 2.204 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCC2CCOCC2)CC1 1740703117 GUXSJAVFROPFSO-VWLOTQADSA-N 473.618 2.101 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2Cc2cccn(CC)c2=O)CC1 1740708606 VYUDIQMCQWPDKX-UHFFFAOYSA-N 472.593 2.259 30 10 JEEE C#CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCO[C@@H](CNC(C)=O)C1 1740713867 SPJYKUVQDUPSLM-KRWDZBQOSA-N 463.991 2.315 30 10 JEEE C=CCCCn1c(-c2ccccn2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1740872298 GBMIZMRVAKIXOT-UHFFFAOYSA-N 451.575 2.247 30 10 JEEE Cn1ccc(CCn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCC[C@@](C)(C#N)C2)n1 1748022940 ADLWHHGYPGCNES-QFIPXVFZSA-N 453.572 2.455 30 10 JEEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1748736374 ZQHJFYGYAAKOFI-UHFFFAOYSA-N 496.612 2.129 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCCCN1C[C@@H](C)C[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1748811166 CNEQVRKWHHWMOY-VWPQPMDRSA-N 487.674 2.063 30 10 JEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1CCC(=O)NC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1748820156 ZTOUSNWPYFCZRA-LJQANCHMSA-N 492.045 2.454 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCCN1S(C)(=O)=O 1748946713 PAOMTVUHHKXYKQ-JOCHJYFZSA-N 499.616 2.343 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(COCC)cc2)CC1 1748972649 MTUFGXHFIYUCNJ-UHFFFAOYSA-N 459.554 2.265 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H](OC)C(C)(C)C)CC1 1749003448 KIOGLNYCUWTAHJ-CPJSRVTESA-N 475.634 2.346 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2(O)CCCC2)CC1 1749003773 VJEGTCNYQRTALC-UHFFFAOYSA-N 452.515 2.124 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2Cc2cccc(NC(C)=O)c2)CC1 1749016404 DCXDGYUYEFUFDO-UHFFFAOYSA-N 471.565 2.236 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCN(CCOC)[C@H](C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1749141309 YNOVCENNZAOQMQ-ILSIFQBBSA-N 477.650 2.457 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccn(Cc2ccccc2)n1 1749159185 QICOVWBEXOTVNE-JOCHJYFZSA-N 499.641 2.307 30 10 JEEE C=C(C)Cn1c(COc2ccc(C)cc2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1749204053 VAOZUWXZXQFTRK-OAQYLSRUSA-N 475.615 2.372 30 10 JEEE C=C(C)COCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1749239041 GZPXZMOOFBZAKK-JOCHJYFZSA-N 480.569 2.149 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cnn(C)c1C 1749531589 NLHCBYKSPOWAQX-INIZCTEOSA-N 468.587 2.043 30 10 JEEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1749646755 YSPRMTNRTBLHPF-SFHVURJKSA-N 475.594 2.110 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1749666820 RHSHULVZFXZNIH-UHFFFAOYSA-N 462.514 2.186 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCN(C(=O)C(C)C)CC1 1749738858 ZEGISDJKGLMYON-UHFFFAOYSA-N 484.626 2.256 30 10 JEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCOC1CCOCC1 1760174583 MCJZSONSERAKRG-LJQANCHMSA-N 463.579 2.242 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 1760257244 RPGANGIXNZOISC-RTWAWAEBSA-N 490.649 2.404 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCOC2(CCCC2)C1 1760315996 KYHHKJCUSHQYIB-KSZLIROESA-N 453.609 2.019 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)CCCC(=O)NC 1760322858 YHOAUWWFDVIYCW-UNMCSNQZSA-N 482.633 2.396 30 10 JEEE C=CCC(C)(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C(=O)NC)CC1 1760409328 REOFODTWUZRJRS-UHFFFAOYSA-N 489.646 2.259 30 10 JEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1760427501 BKGPVIDSRRMDPA-PMACEKPBSA-N 492.650 2.017 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(=O)Nc2ccccn2)n1Cc1nncn1C 1760477627 GFYDZXXDINTINV-UHFFFAOYSA-N 459.514 2.303 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCC(N(C)C(C)=O)CC1 1760517873 AZPOJEZAEWCEHY-UHFFFAOYSA-N 484.601 2.490 30 10 JEEE C=CCOc1ccc(Cn2c(Cn3nc(C)cc3C)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)cc1 1760531685 WPXRIKHLJXAYSJ-FQEVSTJZSA-N 499.641 2.223 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 1760549224 ZKOMHJWEUMTWEV-QGZVFWFLSA-N 485.614 2.277 30 10 JEEE CCN(CC)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCS(C)(=O)=O)CC1 1766659011 APJFHQLJAOZPBZ-UHFFFAOYSA-N 460.604 2.084 30 10 JEEE CN1CC[C@](O)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC([C@@](C)(O)C(F)(F)F)CC2)C1 1767509808 HMXPKEXSTNHRBH-FGZHOGPDSA-N 478.519 2.413 30 10 JEEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2csc(C)n2)CC1=O 1769921986 BHJSRXFCYXEVFB-UHFFFAOYSA-N 481.582 2.031 30 10 JEEE N#CCC1CCN(c2nnc(CNC(=O)c3cccs3)n2CCC2(O)CCOCC2)CC1 1770754297 FFWLGOLIVAAXRK-UHFFFAOYSA-N 458.588 2.331 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCC(=O)N2)n1CCc1nccnc1C 1771100050 FGFFZWTYKIPCRI-OAQYLSRUSA-N 460.542 2.095 30 10 JEEE N#Cc1ccccc1S(=O)(=O)N1CCC(Cc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 1857955790 GVBKWZURKNWWND-UHFFFAOYSA-N 489.619 2.223 30 10 JEEE COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CCCN2CCOCC2)ccc1O 1862630222 OYVDIAFIIAZCCJ-HSZRJFAPSA-N 496.516 2.430 30 10 JEEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@H]2c2cc3c(cc2[N+](=O)[O-])OCCO3)c1 1862709176 NVUWTQUJSIMFIE-NRFANRHFSA-N 497.460 2.089 30 10 JEEE COc1cc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2CCN2CCOCC2)ccc1O 1862737929 OESNTCBFJWWOKM-OAQYLSRUSA-N 483.477 2.220 30 10 JEEE COc1cc([C@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2CCO)cc(OC)c1OC 1862743047 VGLYHHMKKHEDOM-SFHVURJKSA-N 458.423 2.191 30 10 JEEE C=CCOc1ccccc1[C@@H]1C(C(=O)NCCO)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2C 1864326082 UJTZRADUJFEFKM-FQEVSTJZSA-N 476.533 2.464 30 10 JEEE CCN1CCN(Cc2cc(=O)c(OCC(=O)Nc3sc4c(c3C#N)CCC4)cn2CCOC)CC1 1870323843 JKJQINJMLQKKDP-UHFFFAOYSA-N 499.637 2.072 30 10 JEEE CC(=O)Nc1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)NCC#CCN2CCCCCC2)cc1 1890016976 OWCMPKXWDASOSY-HSZRJFAPSA-N 474.627 2.184 30 10 JEEE C=CCC1(C(=O)N2C[C@H](O)CC23CN(C(=O)OC(C)(C)C)C3)CN(C(=O)OC(C)(C)C)C1 2066538042 ANUBTBPSKUXAMR-MRXNPFEDSA-N 451.564 2.382 30 10 JEEE C=C1C[C@@H]2[C@]3(C)CCC(=O)C(C)(C)[C@@H]3C(=O)[C@H](O)[C@]2(C)[C@]2(C(=O)OC)C(=O)[C@H](C)OC(=O)[C@@]12C 2069569205 DTCVESNFTXDLOC-LSTCBOOISA-N 474.550 2.204 30 10 JEEE C#CCN(c1ncc(I)cc1Br)[C@@H]1CCS(=O)(=O)C1 2133380781 YOUFMXBVWGEEKF-SNVBAGLBSA-N 455.115 2.075 30 10 JEEE CC1(C)OB(C#CCCNS(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)OC1(C)C 2249994246 AIDCVUDCGCNQGL-UHFFFAOYSA-N 474.388 2.397 30 10 JEEE CC(C)(C)OC(=O)N[C@]1(CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)CCOC1 2255704686 LGPCXUPFMYALRW-NRFANRHFSA-N 452.382 2.461 30 10 JEEE CC1(C)OB(c2scnc2C(=O)NC[C@@H]2CN(C(=O)OCc3ccccc3)CCO2)OC1(C)C 2255811034 PCWPOEMRQRXHBO-QGZVFWFLSA-N 487.387 2.210 30 10 JEEE CC(C)(C)OC(=O)NCCOCCCNC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2255813097 ZWLQFJJOOZQCEN-UHFFFAOYSA-N 455.386 2.104 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCN(C(=O)OCc2ccccc2)C1 2255830272 CQOIUOIZWAFGCA-SFHVURJKSA-N 468.363 2.169 30 10 JEEE CO[C@H]1CN(C(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1NC(=O)OC(C)(C)C 2255878753 DUNHCNHCVILRJQ-GJZGRUSLSA-N 452.382 2.411 30 10 JEEE C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)n1 2256624963 ZJBPWHFNERTYPH-BXUZGUMPSA-N 455.748 2.247 30 10 JEEE Cc1cc(CNC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)O)sc1B1OC(C)(C)C(C)(C)O1 2256626866 OWQONERSJMXTAR-HIFRSBDPSA-N 454.398 2.246 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NC[C@@H](C)[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)C1 2266487401 ZFOXEPYKOKUOFM-UITANVMTSA-N 465.591 2.417 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)[C@H](CO)C1 2266996426 OSHSQMGYLUDSNV-YOEHRIQHSA-N 466.409 2.395 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@H](CNC(=O)c2occc2B2OC(C)(C)C(C)(C)O2)C1 2267190186 LEJHCXKFFDLYKY-OAHLLOKOSA-N 450.341 2.192 30 10 JEEE CC1(C)OB(c2scnc2C(=O)N2C[C@H]3CC[C@H]2[C@@H](NC(=O)C(F)(F)F)C3)OC1(C)C 2267486005 IKACCERJAUSPGC-SRVKXCTJSA-N 459.299 2.114 30 10 JEEE CC(C)(C)OC(=O)NCCO[C@@H]1CCN(C(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)C1 2267487025 QLDIXUALELMBOO-CQSZACIVSA-N 467.397 2.198 30 10 JEEE Cn1nc(C(=O)N2C[C@@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2267501840 DLJXMNRBYFWEFZ-QKVFXAPYSA-N 466.775 2.112 30 10 JEEE Cc1nn(C)c(C(=O)NCC[C@@H](C)N(C)C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267509454 WFQFRTQOSDCOBF-CQSZACIVSA-N 450.389 2.403 30 10 JEEE CC(C)(C)OC(=O)N1CC=C[C@H](NS(=O)(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267719470 CGECFXXACMTLHM-KRWDZBQOSA-N 464.393 2.440 30 10 JEEE CC(C)(C)OC(=O)N1CC(O)(C(F)(F)C(=O)N2CCC(=CB3OC(C)(C)C(C)(C)O3)C2)C1 2268630799 PCNXSCVSLNKUAT-UHFFFAOYSA-N 458.311 2.394 30 10 JEEE CC(C)(C)OC(=O)NCc1cc(C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)n[nH]1 2268667319 XFPAODIBTSZGQQ-UHFFFAOYSA-N 463.369 2.120 30 10 JEEE CC1(C)OB(c2ncc(CNC(=O)[C@](C)(NC(=O)C(F)(F)F)C(F)(F)F)s2)OC1(C)C 2268668447 FTGDADRSTQZKKI-AWEZNQCLSA-N 475.220 2.058 30 10 JEEE Cn1ncc(C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C2)c1B1OC(C)(C)C(C)(C)O1 2281826344 GIUCTXOWVHPVGK-MRXNPFEDSA-N 462.400 2.485 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2CC[C@@]2(NC(=O)OC(C)(C)C)C1 2281968725 FSUXBDSACMZNBR-IQMFZBJNSA-N 460.384 2.332 30 10 JEEE Cc1nn(C)c(C(=O)NCCCC2CN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2281984538 GDCAQAFHNSEJKA-UHFFFAOYSA-N 462.400 2.405 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O 2282135150 ALACLTQJRDWLLP-LPHOPBHVSA-N 460.380 2.252 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@]12CCC[C@H]1CN(C(=O)OC(C)(C)C)C2 2282540871 PUIOJLRRGAQAMO-NPMXOYFQSA-N 460.384 2.239 30 10 JEEE CO[C@@H]1C[C@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)N(C(=O)OC(C)(C)C)C1 2283948394 MKAYPGJWWZPRLZ-GDBMZVCRSA-N 465.331 2.483 30 10 JEEE CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CCc2cccc(B3OC(C)(C)C(C)(C)O3)c2C1 2283950046 GUUVIGHBNOQJNB-QGZVFWFLSA-N 460.380 2.146 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)ccc1F 2283963233 KSKFXWMVPUEJEF-AEFFLSMTSA-N 464.343 2.111 30 10 JEEE Cc1nc(NC(=O)[C@@H]2[C@H](CNC(=O)OC(C)(C)C)C2(F)F)ncc1B1OC(C)(C)C(C)(C)O1 2283978054 XRLDFEGJENYKCE-JSGCOSHPSA-N 468.310 2.429 30 10 JEEE CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C1 2284065212 DXGGUBDTBLACHV-LJQANCHMSA-N 460.380 2.146 30 10 JEEE N#Cc1ccc(N2C[C@H](C(N)=O)[C@@H](C3CCN(C(=O)c4ccncn4)CC3)C2)cc1C(F)(F)F 2297650492 OIMWISDKLUDOKZ-MSOLQXFVSA-N 472.471 2.457 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC[C@@H](NC(=O)OCc2ccccc2)C1 2315539144 SEMJDLXGZNJILQ-GOSISDBHSA-N 468.363 2.250 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CS(C)(=O)=O)C(=O)N1CC[C@](C)(B2OC(C)(C)C(C)(C)O2)C1 2319669118 MKLLGBDZSVHEEB-VLIAUNLRSA-N 460.402 2.009 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@H]2C[C@H](NC(=O)c3sncc3B3OC(C)(C)C(C)(C)O3)C[C@H]21 2368864269 IREVXSJQJXOYER-FVQBIDKESA-N 479.408 2.339 30 10 JEEE C=CCNC(=O)[C@@H](NC(=O)c1ccc2c(c1)OCO2)C1CCN(C(=O)c2cccs2)CC1 36211642 IJRLIWIDZOODII-FQEVSTJZSA-N 455.536 2.430 30 10 JEEE COc1cccc(C(C)=NNc2nnc(SCC(=O)Nc3ccccc3[N+](=O)[O-])n2N)c1 1083902669 DPAOUSSQCBDXHS-UHFFFAOYSA-N 456.488 2.476 30 10 JEEE C#Cc1cccc(NC(=O)NC(=O)CN2CCNC(=O)[C@H]2c2ccc(Br)cc2)c1 1169676244 QEUBGSOSRDTYPN-LJQANCHMSA-N 455.312 2.252 30 10 JEEE CC(C)(C)OC(=O)NCC1(c2ccccc2)CCN(C(=O)NCCn2cnc(C#N)n2)CC1 1228007310 CZTJCPUSRZDAPO-UHFFFAOYSA-N 453.547 2.418 30 10 JEEE C#CCCCCn1c(-c2cccn2C)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1286319919 ZKVSPXMDKFDVNW-QFIPXVFZSA-N 453.635 2.318 30 10 JEEE C#CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CC[C@H](N1CCOCC1)C(F)(F)F 1286369308 LCHFOLYTVFZSKR-KRWDZBQOSA-N 475.475 2.317 30 10 JEEE C#CCN(CC)c1nnc(-c2ccc(Br)cc2Cl)n1CCS(=O)(=O)NC 1286438745 CYVTYZGBWJHHCS-UHFFFAOYSA-N 460.785 2.370 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)N2CCCC2)n1C[C@H](C)CN1CCOCC1 1286452243 LUILLSHEMSRTHA-HXUWFJFHSA-N 468.577 2.261 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1Cc1ccc(C)n(C)c1=O 1286460343 XBDYBRMRKSNTEZ-UHFFFAOYSA-N 473.375 2.188 30 10 JEEE C#CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1CCn1cc(Br)cn1 1286466325 HCBFAZZKGOFTCX-UHFFFAOYSA-N 483.374 2.262 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2CC2(S(C)(=O)=O)CCCC2)CC1 1286473267 JMNRANARPUQCJL-UHFFFAOYSA-N 457.600 2.066 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC[C@H](C(=O)NC)C2)nnc1[C@]1(OC(C)C)CCOC1 1286561434 FFITXRGFZKQMJF-XUJKJYMVSA-N 461.607 2.262 30 10 JEEE C=C(Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1)c1ccccc1 1286614870 CZRNSGJDGRMZPL-HXUWFJFHSA-N 486.642 2.335 30 10 JEEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1286634595 YRFRJNSGDDPTEY-YJBOKZPZSA-N 459.934 2.487 30 10 JEEE C=C(Cl)Cn1c(N2CCN(c3ccc(C(N)=O)cc3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1286635579 WJHNNUUUZCBIRI-QHCPKHFHSA-N 474.993 2.497 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCCCN2CCC)CC1 1286663146 HAAOXDJSXJTFCX-NHCUHLMSSA-N 480.679 2.278 30 10 JEEE C=CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1286687104 MVOLPVNRYHAAJM-IBGZPJMESA-N 488.662 2.279 30 10 JEEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 1286699874 IFDMIFSAPJEBSG-IBGZPJMESA-N 493.655 2.047 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CC[C@@](O)(Cc2cccc(Cl)c2)C1 1286788790 GHBFMIDBUGJPGP-XMMPIXPASA-N 466.973 2.403 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CCc2nccnc2C)C1 1286813466 VNORDGQDCSAKKV-KRWDZBQOSA-N 453.572 2.392 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1286815403 UEKFGZSBLYQAKQ-WBVHZDCISA-N 497.524 2.082 30 10 JEEE CC(=O)N1CCN(c2nnc(CSc3ccc(C)cc3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1286890056 WLSAGGQHCLFJBA-GHVJWSGMSA-N 495.609 2.074 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1CCCN1CCCCC1=O)[C@H]1CCS(=O)(=O)C1 1300499840 YEZCHPZOICBAAZ-FQEVSTJZSA-N 487.601 2.037 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CC1CCN(CCN(C)C)CC1 1300650255 ZTDYXZBVNHPHRG-QHCPKHFHSA-N 481.620 2.282 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2CC2(O)CCC2)CC1 1300691439 YTQNZKYFUDTUGX-UHFFFAOYSA-N 460.376 2.386 30 10 JEEE COCC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCO[C@@H]2C(C)C)CC1 1300899346 FJSXMVCMEDNORR-PXDATVDWSA-N 496.612 2.475 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@]1(O)CCS(=O)(=O)C1 1300900220 ALQRYRYFMHKWGW-JOCHJYFZSA-N 456.572 2.287 30 10 JEEE C=C(C)COCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(NC(C)=O)CC1 1300991490 NGAOBTKNTQPLJH-UHFFFAOYSA-N 451.531 2.292 30 10 JEEE C=C(C)COCCn1c(N2C[C@@H]3[C@H](C2)[C@@H](NC(=O)OC(C)(C)C)CS3(=O)=O)nnc1C(C)(C)C 1301002430 ZMARHUZDMDZQNH-FGTMMUONSA-N 497.662 2.295 30 10 JEEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)Cc1ccccc1OC 1301043627 AAIBFRGXONEDTG-QFBILLFUSA-N 484.022 2.440 30 10 JEEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1301137616 SWTJPPJRHRFCEX-KRWDZBQOSA-N 490.630 2.159 30 10 JEEE C=CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)CC[C@@H]2C1)c1ccccc1 1301164243 QZGNVYCQOYETPZ-MISYRCLQSA-N 472.615 2.059 30 10 JEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC(=O)Nc1cccc(C)c1C 1301223087 MONZGROOKNFQKI-HXUWFJFHSA-N 490.630 2.269 30 10 JEEE C=CCCOCCn1c(-c2ccccc2F)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1301246027 LMOFDVXQGUMYIB-UHFFFAOYSA-N 458.538 2.251 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1([S@@](C)=O)CC1 1301339252 KJJGPQNGAVJTSS-FZYZMVIOSA-N 473.624 2.156 30 10 JEEE COCC[C@@](C)(O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1301449046 ICVISHFHEMXSKM-WZONZLPQSA-N 474.993 2.421 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1301496470 BEZNRZDOTCEZFA-IBGZPJMESA-N 478.557 2.148 30 10 JEEE CCN(CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ccc(C#N)cn2)CC1)C(C)C 1313804596 FEUIVTDPBHSITE-UHFFFAOYSA-N 488.600 2.249 30 10 JEEE C#CCN(C)c1nnc(COc2ccc(C)cc2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1358952930 DHNRMXLANTWZDS-UHFFFAOYSA-N 450.543 2.490 30 10 JEEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1CC(C)(C)SC)[C@H]1CCS(=O)(=O)C1 1358965067 NFCWBPYDFQSQDG-SFHVURJKSA-N 472.640 2.285 30 10 JEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1(COC)CCOCC1 1358971273 OOMCALKWUIPEOE-UHFFFAOYSA-N 484.626 2.063 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1359003111 YOZVBEKTQFYZLS-OAHLLOKOSA-N 453.515 2.288 30 10 JEEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2C[C@@H]2COCCO2)CC1 1359038629 CWPRSRVFJSFHIM-OAQYLSRUSA-N 453.587 2.460 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CC(F)(F)CO2)CC1 1359041785 IPQYROKEBHXSNI-LJQANCHMSA-N 454.481 2.207 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CC2(C(=O)NCC)CCC2)CC1 1359045919 YGGUOGMSTOLOPK-UHFFFAOYSA-N 480.588 2.280 30 10 JEEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1359089596 LMCWTMMEQCFRQV-BMGDILEWSA-N 467.412 2.027 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCNC(=O)CC1 1359090332 ZDVWUHAKMHPIJH-RXVVDRJESA-N 452.559 2.455 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cn2nc(C)cc2C)n1C[C@]1(O)CCN(C)C1 1359254817 DPFZKJMBZFTTFN-VWLOTQADSA-N 465.602 2.408 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1359292312 MUEZZIPNXNVUAX-CRAIPNDOSA-N 482.006 2.387 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@H](C(=O)OC)C1 1359305019 QTAZWKQTNAFMPO-ZDUSSCGKSA-N 468.341 2.465 30 10 JEEE CCO[C@@H]1CN(Cc2ccccc2)C[C@H]1CNC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 1469098433 AUFAJSNETMFRCX-DHIUTWEWSA-N 455.580 2.126 30 10 JEEE CCCN(C)C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCS(=O)(=O)C2)C1 1500711631 HUCVPENBCNWUIX-VQTJNVASSA-N 456.616 2.420 30 10 JEEE CO[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1)C(C)(C)C 1504001500 CVFWQIXEFSLYRK-FXAWDEMLSA-N 490.630 2.260 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC(=O)N(C)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1507631941 VOEQONDIYXFZKB-HXUWFJFHSA-N 484.626 2.066 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1ccc(OC)cc1F)[C@@H]1CCS(=O)(=O)C1 1507632679 OZYLKXPYBUFRDI-YLJYHZDGSA-N 462.547 2.342 30 10 JEEE C#CCN(CC#CC)c1nnc(CSc2ccccc2OC)n1CC1(C(N)=O)CCOCC1 1507676093 JAIVVISFIJYJHZ-UHFFFAOYSA-N 467.595 2.324 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(F)ccc2Br)n1CCNC(=O)c1cc[nH]n1 1507707479 XMXAFYOEYGLLRH-UHFFFAOYSA-N 490.337 2.086 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc4ccccc4o3)n2CCCN(C)S(=O)(=O)CC)CC1 1507719368 AFCFDUSKWJBHJO-UHFFFAOYSA-N 470.599 2.118 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2cccc(Br)n2)CC1 1507719523 NZGGRHBPBVUPBH-QFIPXVFZSA-N 489.418 2.280 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1507744725 VWUJPEKWGNOVEX-UHFFFAOYSA-N 477.598 2.025 30 10 JEEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)c1cccs1 1507752138 VUPANKKLQJHSRU-CVEARBPZSA-N 469.658 2.236 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C(=O)NC)CC1 1507793493 ARECBKNTLUXVCK-PBHICJAKSA-N 478.395 2.478 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCNS(=O)(=O)Cc2ccon2)CC1 1507890738 PRUAKPUVBSUSEY-RTBURBONSA-N 478.619 2.461 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(C(=O)OCc2ccccc2)CC1 1508080435 AYPQCGICUQNFSR-UHFFFAOYSA-N 461.526 2.101 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1508143131 DTAVCMADTUQIKV-XGHQBKJUSA-N 466.629 2.304 30 10 JEEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H]1CC=CCC1 1508160312 FSJVAWQPPFUOTD-MSOLQXFVSA-N 455.650 2.323 30 10 JEEE CC(C)CO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1509468806 GBGDBYYIKQPQGO-PZJWPPBQSA-N 473.599 2.415 30 10 JEEE C[C@@H](Oc1ccccc1F)c1nnc(N2CCO[C@H](C#N)C2)n1CCS(=O)(=O)CC1CC1 1510279704 CMZYLENCHLQBFC-NVXWUHKLSA-N 463.535 2.111 30 10 JEEE Cc1nc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)sc1C 1510427800 FCUYPFKVCCMSBT-GOSISDBHSA-N 472.596 2.474 30 10 JEEE CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCC[C@@H]2C)CC1 1513194178 ALZSEWIOJAELCR-CUVVAGTFSA-N 479.629 2.405 30 10 JEEE CCC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(S(C)(=O)=O)CC1 1514266792 BKXIHTJRULTAOO-QFIPXVFZSA-N 461.588 2.293 30 10 JEEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(CN(C[C@@H]3CCCCO3)C(C)C)cc2)C1=O 1520545846 YLXXOJQTRGWUKR-FQEVSTJZSA-N 456.543 2.381 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1cccc(NC(=O)OC)c1)[C@H]1CCS(=O)(=O)C1 1539220834 MDRQUWTZEKWCPR-VQTJNVASSA-N 487.582 2.373 30 10 JEEE C#CCN(c1nnc(CCOc2ccccc2)n1CCn1cc(Cl)cn1)[C@H]1CCS(=O)(=O)C1 1539231036 SFUGTPSISPUJLC-IBGZPJMESA-N 489.001 2.076 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1539291691 WGZJIGMQTIGFID-BGYRXZFFSA-N 463.586 2.276 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCO[C@@H]2CCCC[C@H]2C)CC1 1539469641 SVCVDLUMIYIOAD-MZEQIWSPSA-N 487.645 2.491 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC(=O)NCC2CC2)CC1 1539470321 MKCJQIQFDNGLRL-UHFFFAOYSA-N 486.523 2.039 30 10 JEEE C=CC1CCN(c2nnc(-c3ccccc3OC)n2CCNS(=O)(=O)Cc2ccon2)CC1 1539881635 DPEUZVUQBUEHAF-UHFFFAOYSA-N 472.571 2.464 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1C[C@@H](C)C[C@H](C)C1)C1CC1 1540109848 VPUOWTOHXOCWFQ-ZJOUEHCJSA-N 480.679 2.134 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2oncc2C1)C(C)C 1540150916 AESDLWXAMPJLSV-UYAOXDASSA-N 474.631 2.430 30 10 JEEE C=CCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 1540857910 VVNYXUWWIWOLFV-QGZVFWFLSA-N 482.614 2.483 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCC(N(C)C(=O)OCC)CC1 1540872588 UHPOFPGPBWYPSV-UHFFFAOYSA-N 458.538 2.367 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CC=C(C(F)(F)F)CC2)nnc1[C@@]1(OCC)CCOC1 1540908516 ILRARKCLEJRKQJ-GOSISDBHSA-N 464.510 2.230 30 10 JEEE C[C@H](Oc1ccccc1F)c1nnc(N2CCO[C@@H](C#N)C2)n1CCN1CCOC(C)(C)C1 1541984889 FILXNBLAXRARTF-ROUUACIJSA-N 458.538 2.397 30 10 JEEE CN(C)[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1)c1ccco1 1552794745 IAFBKVSHNXQDOY-UXHICEINSA-N 484.582 2.248 30 10 JEEE COc1ccc(Br)c(-c2nnc(N3CC[C@](F)(C#N)C3)n2Cc2nncn2C)c1 1554806196 CUPHWBIPEDPZBK-SFHVURJKSA-N 461.299 2.335 30 10 JEEE N#Cc1ccc(C(F)(F)F)nc1N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 1559047705 BNECBBIPBKFXHZ-UHFFFAOYSA-N 454.459 2.488 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1csc(C)c1)[C@H]1CCS(=O)(=O)C1 1588034667 KAROMSJWRALACA-UGKGYDQZSA-N 478.640 2.364 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@@H]1CCC[C@H](O)C1)[C@H]1CCS(=O)(=O)C1 1588035814 XZUGFTMRJINFHC-HOJAQTOUSA-N 458.584 2.132 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCNc1ncc(Cl)cc1Cl 1588181126 PGAOTHXAJISUBS-CQSZACIVSA-N 484.413 2.165 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2CCC(OC)CC2)CC1 1588762313 GOZUIFVEYITERO-UHFFFAOYSA-N 471.627 2.309 30 10 JEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1588968711 PIJUUSWWPSDTRT-IRXDYDNUSA-N 462.620 2.230 30 10 JEEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2cc(F)cc(C)c2C1 1594813156 PNHIKCYQTYBVEZ-OAQYLSRUSA-N 493.605 2.214 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(=C)Cl 1595099849 JSUJQAPRWFTPNF-IBGZPJMESA-N 476.990 2.428 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCN(c2ncccc2C#N)CC1 1595516528 FYDWTKSHGANNBY-UHFFFAOYSA-N 462.945 2.494 30 10 JEEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@@H](C(C)C)C1 1595884273 JDOSMYKPQIUDBH-DLBZAZTESA-N 475.706 2.108 30 10 JEEE Cc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@@](C)(C#N)C2)c(C)c1 1612079535 CBVSLXZQFSKYST-REWPJTCUSA-N 472.615 2.406 30 10 JEEE C#CCC1(O)CCN(C(=O)c2cc(S(=O)(=O)N(CC)CC)ccc2Br)CC1 1644428796 KIFGUVMTLKMMIJ-UHFFFAOYSA-N 457.390 2.470 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2n[nH]c3cnc(Br)cc23)s1 1648564416 ICFXBMLBPAKUPN-UHFFFAOYSA-N 456.347 2.427 30 10 JEEE COC(=O)[C@@H](O)C1CCN(CC(=O)Nc2c(C#N)c3c(n2-c2ccccc2)CCCC3)CC1 1652954192 DZERSSMDAHOFGM-QHCPKHFHSA-N 450.539 2.412 30 10 JEEE COc1ccc([C@H](Cc2ccc(F)cc2)NC(=O)NCCn2cc(C#N)c(O)nc2=O)cc1 1677573232 CFDQLERWKAADLS-FQEVSTJZSA-N 451.458 2.251 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](C)CN2CCCCC2)c1 1689870553 RMUPSMKHTDQFOP-SIKLNZKXSA-N 477.613 2.407 30 10 JEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(N2CCCC2)CCOCC1 1689966297 OSOZIQCGTKQUOB-FQEVSTJZSA-N 488.633 2.301 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCN(C)CCOC 1690054542 AYMKHPSPUBOFQE-FQEVSTJZSA-N 458.607 2.391 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(F)ccc2Br)n1C[C@@]1(O)CCO[C@@H]1C 1690095492 RRTPZFJRPUQJFQ-VLIAUNLRSA-N 467.339 2.473 30 10 JEEE C#CCN(CCOC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC[C@@H]1COCCO1 1690104530 YXTUHVDKXZAITD-HXUWFJFHSA-N 477.606 2.284 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@H]2CC(F)(F)CO2)CC1 1690152246 DJRJRELRLZKLFB-LJQANCHMSA-N 477.487 2.386 30 10 JEEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1690163683 NNYQKHRLMWGPPT-LJQANCHMSA-N 493.641 2.418 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1)C(C)C 1690581781 YOBFYAJBIISNSM-SLFFLAALSA-N 473.622 2.205 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@H](c3noc(C)n3)C2)cc1 1690678480 XWNHTPGKBDLBKZ-IBGZPJMESA-N 467.530 2.299 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H]2CCCOC2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1690683133 BWXGQLCQVMZTOO-PMACEKPBSA-N 475.615 2.303 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCN(CC)[C@@H](C)C1 1690727179 WFYPBHACUAHKLD-SFHVURJKSA-N 456.616 2.481 30 10 JEEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCCC)[C@@H]1CCS(=O)(=O)C1 1705562197 YSMDXQKBSRCLEW-GOSISDBHSA-N 464.613 2.166 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1ccccc1COC)[C@H]1CCS(=O)(=O)C1 1705563831 GMDQDJURAIGPCH-FQEVSTJZSA-N 451.552 2.162 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCCc3ccccc3)n2C[C@@H]2CCOC[C@@H]2OC)CC1 1705650606 VBBZAQOJUVYHSJ-ZEQRLZLVSA-N 479.625 2.471 30 10 JEEE C#CCSCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC(=O)N(C)C[C@H]1C 1705659612 BBHLRQKYMHRYOA-QZTJIDSGSA-N 476.647 2.426 30 10 JEEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2ccc(Br)cc2)C1 1705887100 OGYQQQQVBDZGKE-CZUORRHYSA-N 470.393 2.415 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N(C)CC1CCOCC1 1705895874 VXSZYYDPLJHHGO-UHFFFAOYSA-N 451.369 2.211 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CCN(CCOCC)CC1 1705896340 JPYYQQMUNZYCDX-UHFFFAOYSA-N 477.407 2.168 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N(C)Cc1ncc(CC)s1 1705906278 YUMGCRBYLMNTCX-UHFFFAOYSA-N 450.572 2.474 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N(C)[C@@H](C)CC#N 1705931749 YZBRDJVRRYHSBX-ZDUSSCGKSA-N 455.382 2.385 30 10 JEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1722325437 LBVYEDFCKDCUAN-UHFFFAOYSA-N 475.578 2.355 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@@H]1CCN(CCC)C1)[C@H]1CCS(=O)(=O)C1 1722364006 DKNLFMKVHDVHLH-IRLDBZIGSA-N 485.654 2.236 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCCN(C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1722366796 KOZBCDICAAEOHQ-GOTSBHOMSA-N 485.654 2.321 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@H]1CCOC[C@@H]1OC 1722375648 RIIKGBZUKYYUKB-UWJYYQICSA-N 454.527 2.095 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(C)ccc1OC(F)F 1722429721 VNNXDDOHXBBDFH-INIZCTEOSA-N 468.526 2.224 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CC[C@@](C)(CC)O2)CC1 1722440111 CLJYBYDZDNJTIU-FDDCHVKYSA-N 456.616 2.373 30 10 JEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](C)CNC(=O)OC(C)(C)C)CC1 1722441914 UOTWLCMFRSKKLG-GOSISDBHSA-N 470.622 2.056 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCc2ccccc2OCC)CC1 1722448249 WZGIZYDXEULDPE-OAQYLSRUSA-N 451.571 2.389 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCOc2ncccc2F)CC1 1722448633 WNZGOJNVIVNJJA-LJQANCHMSA-N 456.522 2.099 30 10 JEEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCCN(C(=O)C2CC2)CC1 1722455570 SXGIFBUYPGVIRJ-UHFFFAOYSA-N 487.651 2.164 30 10 JEEE C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1722518648 DGWOSMHDOYEZJY-LJQANCHMSA-N 462.352 2.426 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C(C)C)N2CCCC2)C1 1722718262 HZYHJPRZXJDIGW-VAMGGRTRSA-N 451.637 2.082 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCCN(C(=O)CC2CCCC2)CC1 1722728131 OHYBVKZCDZZUGA-OAQYLSRUSA-N 493.674 2.392 30 10 JEEE CC(C)NS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](c2nccs2)C1 1723660008 BBDCWLKHLPSTGU-SFHVURJKSA-N 487.611 2.179 30 10 JEEE C[C@H](Oc1ccccc1F)c1nnc(N(C)[C@H](C)CC#N)n1CC1(O)CCS(=O)(=O)CC1 1723993543 DUNXQGYSPWZXLC-CVEARBPZSA-N 465.551 2.235 30 10 JEEE CCN(C[C@@H]1CCCO1)c1nnc(COc2ccc(C#N)cc2)n1CC(=O)NCC(F)(F)F 1728473155 FEQDNHHDFCQRRL-KRWDZBQOSA-N 466.464 2.413 30 10 JEEE CS(=O)(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)c2cccs2)CC1 1730997781 GGCFAVJKYOBQHG-UHFFFAOYSA-N 484.607 2.322 30 10 JEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1740627024 ZZUHEYFDHRYSEL-INIZCTEOSA-N 456.490 2.261 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCC(=O)NC1CCCCC1 1740650756 MEWCOPTYKKOFSV-UHFFFAOYSA-N 471.569 2.223 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H]1CCOC[C@H]1OC 1740669213 RGDXRJIOHYBACL-FXAWDEMLSA-N 450.543 2.186 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@H]1CCCO1 1740684239 LQGSKWKSTXRTIW-SFHVURJKSA-N 450.543 2.330 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Cl)c3)n2CC2CCS(=O)(=O)CC2)CC1 1740703131 HFRGEQXHTHWTOY-UHFFFAOYSA-N 490.029 2.389 30 10 JEEE C#CCSCCn1c(COc2cc(C)ccc2C)nnc1N1CCO[C@@H](CNC(C)=O)C1 1740721199 AFRCFGFFDQGHHD-FQEVSTJZSA-N 457.600 2.182 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(S(=O)(=O)CC)CC1 1740751527 LIHYEXVWAZZSTQ-PXNSSMCTSA-N 488.614 2.310 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1740762269 CQEZUKCNCKYIDM-BTCOZLQPSA-N 472.615 2.213 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCOC2)n1CC1(C(N)=O)CCOCC1 1740914084 LDOQPEBRBKJTGH-IBGZPJMESA-N 455.559 2.265 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(N2CCSCC2)cc1 1740940382 DGAQMSILPNQFMW-FQEVSTJZSA-N 456.616 2.470 30 10 JEEE C=CCNC(=O)Cn1c(COCC)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)[C@H](CC)C1 1740965026 YQDRANVINIBYAA-SJORKVTESA-N 450.584 2.246 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)cc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1740978607 ZFQMIHDRTHLNCQ-XHEFNCKESA-N 464.526 2.261 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN2CCCC[C@H]2CC)C1 1740982771 WPUXPTQYROAVFA-XUVXKRRUSA-N 451.637 2.226 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Br)s2)nnc1N(C)[C@@H](C)CC(N)=O 1740987854 NJSIIUFJHLYOIS-NSHDSACASA-N 476.422 2.070 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1740991429 WNIQSNGFEHTMNI-QZTJIDSGSA-N 467.636 2.252 30 10 JEEE C=CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1741003273 QKLXMFIMNAOREZ-VQIMIIECSA-N 479.628 2.228 30 10 JEEE CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCOC[C@@H]2CCOC2)[C@@H](C)C1 1741046217 ZBOFHAZAKGOQHA-RXVVDRJESA-N 452.559 2.317 30 10 JEEE C#CCN(c1nnc([C@@H](C)OCCOC)n1Cc1ccc2c(c1)CCCO2)[C@H]1CCS(=O)(=O)C1 1748805802 WKCFQSPWXJOKEQ-NQIIRXRSSA-N 488.610 2.002 30 10 JEEE C#CCN(c1nnc(CSc2ccccc2OC)n1CCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1748824031 HPDKKTVYXBKYJJ-IBGZPJMESA-N 489.667 2.302 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@H]2NC(=O)CC2(C)C)CC1 1748979543 DPLSTQQARYYAAC-GOSISDBHSA-N 471.403 2.378 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CCc2ccc(OC)c(OC)c2Cl)CC1 1748988791 BIDLOVKLHAPPLR-SFHVURJKSA-N 459.978 2.451 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Br)n2CC[S@](=O)CC)CC1 1749010232 IVFULAQDZYYUDI-SSEXGKCCSA-N 492.443 2.442 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1749664316 KCRXNLWHZZDWCW-UHFFFAOYSA-N 461.563 2.324 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CC[C@H](C2CCOCC2)C1 1749680635 NHCFECWNIPDPIH-IBGZPJMESA-N 455.559 2.421 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1749725554 SCESUFWBKFZVSZ-GOSISDBHSA-N 463.991 2.400 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCOC3(CCCC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1749740327 UPGHWSBVVYPELV-JOCHJYFZSA-N 468.620 2.069 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2CCCN(C(C)C)C2)c1 1760128794 SNCQXIGWLIHOAP-RBBKRZOGSA-N 477.613 2.406 30 10 JEEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 1760162394 SFCYUEXNZQOPCE-HXUWFJFHSA-N 457.600 2.487 30 10 JEEE C#CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@H]1CC(=O)N(CCOC)C1 1760167889 GVNWYIDRXBERDS-HNNXBMFYSA-N 476.375 2.281 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CCc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1760181288 RVSDAWBGSFGOMR-QPPBQGQZSA-N 490.601 2.327 30 10 JEEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1760187574 KGTMNIYXHLHXGM-YVSFHVDLSA-N 487.548 2.225 30 10 JEEE C#CCN(c1nnc(COc2ccccc2CC)n1CC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1760192064 DKNWTGPLRUIELL-NRFANRHFSA-N 472.611 2.473 30 10 JEEE C=C(C)COCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1760355323 GAVSZRIOSANMRY-UHFFFAOYSA-N 479.585 2.192 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 1760521319 PSHCVEJVJWLIQQ-STQMWFEESA-N 483.520 2.391 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1760537983 VDVJDFYSRPWZJP-HKUYNNGSSA-N 491.614 2.025 30 10 JEEE C=CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCC2(CC1)CNC(=O)C2 1760569361 MHNPRVQAAJCIIA-UHFFFAOYSA-N 460.629 2.295 30 10 JEEE CC(=O)N[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ncccc2N(C)C)C1 1760643888 GMRLCBKTSAICHU-FQEVSTJZSA-N 474.569 2.343 30 10 JEEE C[C@H](CC#N)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1761356266 DCSZVUKESNXJEW-SQNIBIBYSA-N 480.552 2.010 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccnc(N2CCCCC2)c1 1764187035 BKOQOVXLLUSVFU-FQEVSTJZSA-N 466.590 2.359 30 10 JEEE CCCN(CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1)C(=O)OC(C)(C)C 1764362871 DJXNTWIDKDSERA-IIBYNOLFSA-N 484.598 2.269 30 10 JEEE CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCN2CCCO)C[C@@H]1C 1765538022 HDNNFQMZUGSFBT-UNMCSNQZSA-N 467.618 2.106 30 10 JEEE COc1ccccc1Cc1nnc(N2CC[C@](F)(C#N)C2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1768919390 BSFMYOPPRPCYNT-NLFFAJNJSA-N 483.592 2.262 30 10 JEEE COc1ncccc1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@H](C#N)C1 1770558364 DNEYDFOMDYIHKX-GOSISDBHSA-N 467.917 2.042 30 10 JEEE C=CCO[C@@H]1CCN(C(=O)NC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2)C(F)(F)F)C1 1772658360 BEOCARZWZWHSFV-HZPDHXFCSA-N 450.502 2.457 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)[C@H](C)Oc3cccnc3NC(=O)NC[C@@H](C)NC(C)=O)cc21 1858806806 GCHKUMSVMPYAJN-CVEARBPZSA-N 495.536 2.289 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@@H]2c2ccc3c(c2)OCCO3)cc1C 1862405182 MGSYNVZHEKGDDD-JOCHJYFZSA-N 466.490 2.489 30 10 JEEE CCOc1ccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2CCCNC=O)cc1OC 1862564683 GAYDZXBTLKIYJL-OAQYLSRUSA-N 453.495 2.391 30 10 JEEE COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2CCCNC=O)cc1 1862644701 RACCRMYZMIJRLO-HXUWFJFHSA-N 470.453 2.335 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccccc2C(=O)O)cc1 1862690947 GMEPMIQTLDIXHJ-OAQYLSRUSA-N 466.490 2.304 30 10 JEEE C=CCOc1ccccc1[C@@H]1C(C(=O)NC[C@H](C)O)=C(N)Oc2c1c(C(F)(F)F)nn2C 1864322669 RIVCDTOEXNWDRS-FZMZJTMJSA-N 452.433 2.195 30 10 JEEE C=CCOc1ccccc1[C@@H]1C(C(=O)N2CCN(CCO)CC2)=C(N)Oc2c1c(C)nn2CC(C)C 1865223969 JCWCGSSYPFKNDN-QHCPKHFHSA-N 495.624 2.243 30 10 JEEE N#Cc1ccc(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CC[C@H]2CCS(=O)(=O)C2)cc1 1866922249 KNNJBLNIJSZRBF-RXVVDRJESA-N 455.536 2.145 30 10 JEEE COc1cc(C(=O)NCC(=O)Nc2c(C#N)nnn2-c2ccc(Cl)cc2)cc(OC)c1OC 1870140476 TXEWIBGCUICNPJ-UHFFFAOYSA-N 470.873 2.187 30 10 JEEE CCOC(=O)c1ccc(N2C[C@H](C(=O)Nc3c(C#N)nnn3-c3cccc(F)c3)CC2=O)cc1 1870151364 UKPXALGJKLNDEM-OAHLLOKOSA-N 462.441 2.446 30 10 JEEE Cc1ccccc1-n1nnc(C#N)c1NC(=O)CN1C(=O)c2ccc(Br)cc2C1=O 1870155480 PHCXZKJQXGRCJA-UHFFFAOYSA-N 465.267 2.445 30 10 JEEE CCN1CCN(Cc2cc(=O)c(OCC(=O)Nc3sc4c(c3C#N)CCC4)cn2CC)CC1 1870324222 AHKGDJQNRIXBHL-UHFFFAOYSA-N 469.611 2.445 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCc2cnnn2Cc2ccccc2)cn1CCNC(C)=O 1870442998 DVQUXYHNBVWBQM-UHFFFAOYSA-N 476.581 2.377 30 10 JEEE CCCCCCCCN1C[C@@H](C(=O)N2CCC(C(=O)NCCCN3CCOCC3)CC2)CC1=O 1872926189 MDJSTDVYCLGEFS-QHCPKHFHSA-N 478.678 2.273 30 10 JEEE CC(=O)NCc1nnc(SCC(=O)N[C@@H](C)c2ccccc2)n1/N=C/c1ccc(O)cc1 1874436335 WTPIRKMVFLIGDQ-ZWGXDWAISA-N 452.540 2.472 30 10 JEEE Cc1nc2c(n1CC(=O)N1CCC(OCC#CCN3CCN(C(C)C)CC3)CC1)CCCC2 1889358768 PGEWLHINUJCMRH-UHFFFAOYSA-N 455.647 2.107 30 10 JEEE CC(C)N1C(=O)CS[C@H](C(=O)N2CC[C@H](N(C)c3ncccn3)C2)[C@@H]1c1ccc(C#N)cc1 1890388596 BIHCPKKPUVZUIN-BVSLBCMMSA-N 464.595 2.479 30 10 JEEE N#Cc1cccnc1OC1CCN(C(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)CC1 1892118479 ILAYCXLKCXRETM-UHFFFAOYSA-N 460.581 2.485 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](O)CN(C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)C1 2060127260 GTQFJUYRPRTUBT-BRWVUGGUSA-N 454.568 2.450 30 10 JEEE CC(C)(C)OC(=O)N[C@@]1(C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CCS(=O)(=O)C1 2180991162 KCNHYGCEWPTKBM-QFIPXVFZSA-N 480.392 2.006 30 10 JEEE CC(C)(C)OC(=O)N[C@@]1(C(=O)N2CCC(B3OC(C)(C)C(C)(C)O3)CC2)CCS(=O)(=O)C1 2231051655 CDUZFPBDDPAHBM-NRFANRHFSA-N 472.413 2.153 30 10 JEEE Cc1cc(S(=O)(=O)N[C@@H]2C[C@@H]2NC(=O)OC(C)(C)C)sc1B1OC(C)(C)C(C)(C)O1 2247951506 JLSWNXIUGPAVFW-QWHCGFSZSA-N 458.411 2.300 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H]1CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2247954213 ZISMCZLCEJHSMQ-CQSZACIVSA-N 458.411 2.335 30 10 JEEE CC1(C)OB(c2c[nH]nc2C(=O)NC2CC3(C2)C[C@@H]3NC(=O)OCc2ccccc2)OC1(C)C 2255628544 JGXSZCMJOPPBOL-YBBVMAFNSA-N 466.347 2.286 30 10 JEEE Cc1csc(C(=O)N2CC(O)(CNC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2255637478 HAZQSPCMBBCIFF-UHFFFAOYSA-N 452.382 2.067 30 10 JEEE C[C@@H](CNC(=O)OC(C)(C)C)NS(=O)(=O)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2255799554 KHPBWZXFYVRMQW-HNNXBMFYSA-N 454.398 2.318 30 10 JEEE CC1(C)OB(c2cc(C(=O)NC[C@@H]3CN(C(=O)OCc4ccccc4)CCO3)ns2)OC1(C)C 2255835638 PLKSWEPQSMRPGT-QGZVFWFLSA-N 487.387 2.210 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)CCO1 2255871509 VVNBHMYIQAKAJH-CQSZACIVSA-N 452.382 2.413 30 10 JEEE CN(C[C@H]1COCCN1C(=O)OC(C)(C)C)C(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2267000685 AXYVTMUGLFKFAD-AWEZNQCLSA-N 467.397 2.150 30 10 JEEE COCCN(C(=O)c1coc(B2OC(C)(C)C(C)(C)O2)c1)C1CN(C(=O)OC(C)(C)C)C1 2267012864 BFMWBXVSUBXUDL-UHFFFAOYSA-N 450.341 2.287 30 10 JEEE Cc1c(B2OC(C)(C)C(C)(C)O2)csc1C(=O)N1C[C@@H](NC(=O)OC(C)(C)C)C[C@@H](O)C1 2267105687 PIWRUEKMFLEORM-LSDHHAIUSA-N 466.409 2.456 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H](NS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267359076 HYPHCMVVUZYNBT-JKSUJKDBSA-N 467.397 2.105 30 10 JEEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)[C@@H](C#N)C1 2267729009 DKDOZBOGXLTGDJ-AWEZNQCLSA-N 483.421 2.181 30 10 JEEE CC1(C)OB(c2ccc(NC(=O)[C@](C)(NC(=O)C(F)(F)F)C(F)(F)F)nc2)OC1(C)C 2268628481 IPXPCRZFUBZFPL-HNNXBMFYSA-N 455.164 2.319 30 10 JEEE Cn1ncc(C(=O)NCCC2CCN(C(=O)OC(C)(C)C)CC2)c1B1OC(C)(C)C(C)(C)O1 2281819190 LEPLQQKOMYJDDU-UHFFFAOYSA-N 462.400 2.486 30 10 JEEE Cn1cc(C(=O)N[C@H]2C[C@H]3C[C@H]2CN(C(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)n1 2281958009 CNYMYRFMMPHGPY-VYDXJSESSA-N 460.384 2.095 30 10 JEEE Cc1c(C(=O)NC[C@@H]2N(C(=O)OC(C)(C)C)CC2(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281990053 HZVHLXQKERURSJ-HNNXBMFYSA-N 462.400 2.403 30 10 JEEE CCc1nn(C)c(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C)c1B1OC(C)(C)C(C)(C)O1 2281992708 QNAPAUZUVPVHHC-OAHLLOKOSA-N 462.400 2.363 30 10 JEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@]1(C)CCCN1Cc1ccccc1 2282353668 WZOQYQJQLVEWCC-QHCPKHFHSA-N 474.436 2.052 30 10 JEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H]1CCCN(Cc2ccccc2)CC1 2282848480 NXQKTLADEKOUOZ-IBGZPJMESA-N 474.436 2.052 30 10 JEEE C[C@H](C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1)N1CCN(C(=O)OC(C)(C)C)CC1 2283981589 NYHNWVINQFOBKO-MRXNPFEDSA-N 460.384 2.261 30 10 JEEE C[C@H](NC(=O)C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O)c1nscc1B1OC(C)(C)C(C)(C)O1 2284012500 WRCUXJCHFHWQQG-DZKIICNBSA-N 481.424 2.237 30 10 JEEE COC[C@H]1C[C@H](CNC(=O)OC(C)(C)C)N(C(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C1 2289594215 AVCBHBDSGMVXGZ-LSDHHAIUSA-N 481.424 2.444 30 10 JEEE CC(=O)NCc1nnc(SCC(=O)NCc2ccccc2)n1N=Cc1ccc(F)cc1F 2330794418 PHUKXAORUVFFPB-UHFFFAOYSA-N 458.494 2.483 30 10 JEEE CO[C@H]1[C@H](CNC(=O)[C@@H]2C[C@@H]2B2OC(C)(C)C(C)(C)O2)N(C(=O)OC(C)(C)C)C[C@H]1OC 2334261272 KBBOAHXUADLZTA-HMDCTGQHSA-N 454.373 2.234 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2[C@@H]3C[C@@H]3CN2C(=O)OC(C)(C)C)n1 2359267363 CHMNWIUKADSWBB-INMHGKMJSA-N 460.384 2.187 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC1(C)CCN(C(=O)OC(C)(C)C)CC1 2362337826 NMVXIOXYLXHSEU-UHFFFAOYSA-N 462.400 2.486 30 10 JEEE CCOc1ccccc1NC(=O)CSc1nnc(N/N=C/c2cccc([N+](=O)[O-])c2)n1N 20291870 CACCEVJJCNGMEB-SRZZPIQSSA-N 456.488 2.476 30 10 JEEE N#Cc1ccccc1CO[C@]1(C(=O)NC2CC2)C[C@H](OCc2ccc(F)cc2F)[C@H](O)[C@H](O)C1 85409977 AUTNLSAXLVQBMB-QENXHYHDSA-N 472.488 2.471 30 10 JEEE CN(C)C(=O)c1ccc(C#CCNC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 96348373 HQKIVBDDYJLYDF-UHFFFAOYSA-N 453.564 2.345 30 10 JEEE N#Cc1cccnc1N1CCN(C(=O)[C@@H]2CC(=O)N(c3cccc(Br)c3)C2)CC1 497872414 CXJGIHFAXHOXPZ-MRXNPFEDSA-N 454.328 2.417 30 10 JEEE C=C1C(=O)O[C@@H]2C=C(C)[C@@H](OC(C)=O)CC=C(COC(C)=O)C[C@@H](OC(=O)/C(C)=C\CO)[C@@H]12 602986386 HPWMABTYJYZFLK-CJGJLSNGSA-N 462.495 2.096 30 10 JEEE CCN(CC)C(=O)CSc1nnc(S[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)n1N 856435976 CWXDRPOOUGQJDB-NSHDSACASA-N 479.657 2.494 30 10 JEEE COc1cccc(CNC(=O)CSc2n[nH]c(NN=Cc3c(C)nn(C)c3C)n2)c1OC 1084270931 CRVMSIDDWYYYGQ-UHFFFAOYSA-N 458.548 2.027 30 10 JEEE C[C@H](NS(=O)(=O)c1cc(Br)cc(C#N)c1)[C@H](C)C(=O)Nc1ncccc1O 1193729516 FULABOZEGZCRKP-QWRGUYRKSA-N 453.318 2.363 30 10 JEEE C=CCS(=O)(=O)CCNC(=O)N[C@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1 1222532442 QSDSAYOAERUJLZ-LJQANCHMSA-N 454.545 2.219 30 10 JEEE COc1cc(N2C[C@@H](C(=O)Nc3ncc4c(c3C#N)COCC4)CC2=O)cc(OC)c1OC 1276480519 BEUFDZHQHMRXLA-AWEZNQCLSA-N 452.467 2.043 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccc(OC)cc1)N1CCCC1 1286298148 GEGKGPRKVMOLMA-CZTZKLFOSA-N 471.627 2.484 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)nc2)n1CCNS(=O)(=O)c1ccccc1 1286425215 WXQSNVCHXLZRCJ-UHFFFAOYSA-N 468.970 2.435 30 10 JEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1286711948 ROSILYROSSQMEK-IRXDYDNUSA-N 467.617 2.116 30 10 JEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1286776220 KGDCRHLZVJIPQR-SFHVURJKSA-N 467.530 2.307 30 10 JEEE C=CCn1c(COc2ccc(OC)cc2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1286777266 PGVXGQWDLGLCHK-QHCPKHFHSA-N 470.618 2.283 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CC(C)(C)OC[C@@H]1C 1286780453 UMQZPMWCJUCWAZ-ZDUSSCGKSA-N 451.369 2.352 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1286783644 XSPMBCYIBXPBGX-HZPDHXFCSA-N 492.983 2.407 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCN(C(=O)c2ccsc2)CC1 1286784291 CNAOLXKDXDGOKX-UHFFFAOYSA-N 466.567 2.280 30 10 JEEE C[C@@H](CC(=O)NCc1cccnc1OCC(F)(F)F)/N=C1/NS(=O)(=O)c2ccccc21 1290825970 HKLNCYJUKDBUQE-LBPRGKRZSA-N 456.446 2.156 30 10 JEEE CCNC(=O)C(C)(C)Cn1c([C@H]2CCCCO2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1296240325 GINCFIQTOQDORT-LJQANCHMSA-N 466.590 2.275 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1cccc(OCC(N)=O)c1 1300327305 AYLATFDXPNXPNP-QRQLOZEOSA-N 482.585 2.419 30 10 JEEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2c(CC)nn(C)c2Cl)CC1 1300381354 CSENAPPVNHBNPG-UHFFFAOYSA-N 461.014 2.101 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1CCCN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1300488882 HPLQWGSUDYZFJL-GOSISDBHSA-N 496.008 2.087 30 10 JEEE C#CCN(c1nnc(COCC)n1CCc1nc(C(F)(F)F)cs1)[C@H]1CCS(=O)(=O)C1 1300503376 CFSJFOLZOILVIC-ZDUSSCGKSA-N 477.534 2.159 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@H](OC)C(C)C)[C@H]1CCS(=O)(=O)C1 1300504018 IFIMYXYRPKTOHQ-ICSRJNTNSA-N 464.563 2.294 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@](C)(O)CCC)[C@@H]1CCS(=O)(=O)C1 1300505316 ZMGHGTDPYQBRKH-FZONSQQESA-N 466.648 2.375 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@]1(C)CN(C)C1=O 1300648738 IRNYNFZDZSDKRR-VAXXYWNWSA-N 455.534 2.259 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(C)CCCC2)n1 1300680766 DGCVXJOLDRJPHD-LJQANCHMSA-N 474.631 2.243 30 10 JEEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1300769769 KOPBNJNDEDNQDE-OAQYLSRUSA-N 498.701 2.029 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2nnc(O)c3ccccc23)n1CC(=O)NCC(F)(F)F 1300801955 XMJXKKZSCWIYQB-HXUWFJFHSA-N 459.432 2.265 30 10 JEEE COCC[C@@](C)(O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1301433168 CIYDHEAWGNBQGP-NBGIEHNGSA-N 491.552 2.162 30 10 JEEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 1301502546 JVLKPZKNDDFFJR-OAQYLSRUSA-N 479.629 2.096 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccccc3F)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1301566584 RATZADQQDGROQJ-QZTJIDSGSA-N 479.578 2.202 30 10 JEEE CC(C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCC(=O)N1CCCCC1 1302685514 HCARNURDEXRJIV-SFHVURJKSA-N 451.579 2.181 30 10 JEEE Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1 1309049812 BPBRNWGTCATFSK-UHFFFAOYSA-N 455.508 2.277 30 10 JEEE N#Cc1ccc(N2CCC(C(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)CC2)c(F)c1 1352693789 ARBRWKHSLRJXKV-UHFFFAOYSA-N 456.543 2.447 30 10 JEEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1c(Cl)c(C(F)(F)F)nn1C 1358943685 RDKBQDNJKAHHJT-UHFFFAOYSA-N 476.854 2.444 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H](OC)C(C)C)[C@H]1CCS(=O)(=O)C1 1358959628 MOTRKBIPOMBSOO-GHTZIAJQSA-N 474.583 2.014 30 10 JEEE C#CCN(c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCC(C)C)[C@@H]1CCS(=O)(=O)C1 1358961642 CFIIMPXNUGTTCE-GOSISDBHSA-N 482.610 2.348 30 10 JEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc(NC(C)=O)cc1 1358976028 NVCNKEPVBBWGTH-UHFFFAOYSA-N 475.578 2.318 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCSC2)n1 1359027537 MYSOBELMHIVYCO-XMMPIXPASA-N 477.594 2.167 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@H]1CCSC1 1359309219 LDEOKSUMPQMNJO-WBVHZDCISA-N 451.618 2.443 30 10 JEEE C=CCSCCn1c(N2CC[C@@]3(CCS(=O)(=O)C3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1359346537 NSQDAHJYDFCBKL-NHCUHLMSSA-N 470.661 2.253 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1C[C@H](C1CC1)N(C)C 1360229888 DOZFLBSLIJFISP-HSZRJFAPSA-N 478.645 2.340 30 10 JEEE Cc1cccc(O[C@@H](C)c2nnc(N3CC[C@](F)(C#N)C3)n2CCS(=O)(=O)N(C)C)c1C 1360872857 BVFMDIHWMDWZBD-UWJYYQICSA-N 464.567 2.368 30 10 JEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CC[S@@](=O)C(C)(C)CC3)nnc12 1457807526 SXTXGFDBQFVRDY-WJOKGBTCSA-N 459.597 2.082 30 10 JEEE CCc1cnc(CCn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@H](CNC(C)=O)C2)s1 1498134162 CEUYJWGQKNHAAN-LJQANCHMSA-N 465.583 2.420 30 10 JEEE CCN1CCCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(OCC(N)=O)CC1 1502293283 BMDXUOKCPIOGCW-FQEVSTJZSA-N 451.575 2.162 30 10 JEEE CNS(=O)(=O)CCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CC[C@@](F)(C#N)C1 1503833181 FMPVFLMLVWZPQS-OAQYLSRUSA-N 474.518 2.108 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccc(-n2ccnc2C)nc1)[C@@H]1CCS(=O)(=O)C1 1507623919 ZBQXANQYKIEQLU-LJQANCHMSA-N 467.599 2.140 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1Cc1c(F)cc(F)c(F)c1F)[C@@H]1CCS(=O)(=O)C1 1507636130 ZHRJCTVDEASCDT-CYBMUJFWSA-N 456.465 2.462 30 10 JEEE C#CCN(CC#CC)c1nnc(Cc2ccncc2)n1CCOc1ccc(S(C)(=O)=O)cc1 1507672166 WXWDKSDXRUEKLF-UHFFFAOYSA-N 463.563 2.209 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2C[C@H](CC)OC)CC1 1507737988 FLJHLBSKNDSTCH-RXVVDRJESA-N 453.543 2.181 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCN1CCN(c2ccccc2)CC1 1507764554 NGZIIMKNHFBMDC-PXDATVDWSA-N 499.685 2.093 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccn2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1507801378 UTIQCNROQMXQTK-PXNSSMCTSA-N 460.604 2.229 30 10 JEEE C=C(Cl)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1507857567 WFZFYKBGBWNRAK-ZDUSSCGKSA-N 468.743 2.261 30 10 JEEE C=C1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC(=O)NCC2CC2)CC1 1507884712 LBVMYPDUHFEAAW-SFHVURJKSA-N 460.579 2.269 30 10 JEEE C=CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1507945225 CSWSEOOWSRZXQH-JKSUJKDBSA-N 468.649 2.462 30 10 JEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2OC)CC1 1507966725 BOYXGEILYYRMIA-LJQANCHMSA-N 475.615 2.108 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](COC)C1 1508091009 QZYSYIWCCJTMCX-ROUUACIJSA-N 462.595 2.168 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC(NC(=O)NC2CCCCC2)CC1 1508097453 QDMOVWQEJODJFH-LJQANCHMSA-N 459.595 2.033 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CC[C@H]2C[C@H]1CO2 1508135234 GKDOSWSLDUAZMI-ROUUACIJSA-N 462.572 2.321 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 1508140445 IKUNOVNLGCGMHV-UHFFFAOYSA-N 471.627 2.428 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1508143370 GQABSHOEQSUZIG-GOSISDBHSA-N 465.645 2.272 30 10 JEEE N#Cc1ccc(OCc2nnc(N3CCC[C@H](C(N)=O)C3)n2C[C@H]2CSCCS2)cc1 1521101223 AKXDEYHWMZQZBM-WMZOPIPTSA-N 458.613 2.279 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CCCC3)n2C[C@@H]2CC(=O)N(CCOC)C2)c1 1539043412 QEUMRMMCFUTLOP-HXUWFJFHSA-N 478.597 2.487 30 10 JEEE C#CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 1539104484 JERWBNCNXKSTII-GOSISDBHSA-N 481.022 2.284 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1CCSc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1539216881 XWYVFISASFEPPJ-SFHVURJKSA-N 468.608 2.463 30 10 JEEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1Cc1ccsc1)[C@H]1CCS(=O)(=O)C1 1539229430 CUEGGFIEIYXWAK-INIZCTEOSA-N 475.621 2.006 30 10 JEEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1CCNc1nccc(C(F)(F)F)n1 1539300206 SFYGCDWDXNAZAA-NRFANRHFSA-N 477.491 2.314 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(=O)NC(C)C 1539323210 FADWRTDUVOLIAH-IBGZPJMESA-N 456.591 2.380 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCC(F)(F)F)cc1 1539415959 IWMOLNXWSROEDS-QGZVFWFLSA-N 486.516 2.256 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OC)n2C[C@@H]2CCCN2CC)CC1 1539488593 BIQXIVMKCYQSHZ-NRFANRHFSA-N 480.613 2.316 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCOc1cccc(C(F)(F)F)n1 1539538326 FVFAQEIPHYTKRO-AUUYWEPGSA-N 486.520 2.373 30 10 JEEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C)nc(C(C)C)n2)CC1 1540033996 SSLJZHVVTGOBFP-IBGZPJMESA-N 468.606 2.370 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1CCN(C(C)=O)CC1 1540140066 PBCKFWZPYMHXQU-MRXNPFEDSA-N 480.660 2.401 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1540875251 FUBQIGXIZDFWBZ-FQEVSTJZSA-N 474.993 2.114 30 10 JEEE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3ccc(C#N)cc3)n2CCCO[C@@H]2CCOC2)C1 1540937963 HPCVQEIENHYACU-IFMALSPDSA-N 452.559 2.317 30 10 JEEE CCCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCOC[C@H]2C)C1 1546807989 BEQMKPPVNYUYFZ-DENIHFKCSA-N 465.602 2.423 30 10 JEEE CCN(CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCSC[C@@H]1C)S(C)(=O)=O 1547574827 AONHNCVUMISKNB-KRWDZBQOSA-N 478.644 2.342 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCO[C@H]1c1ccccc1 1587638472 FMPDUJZLNFLZGC-FKVLARQCSA-N 487.626 2.237 30 10 JEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2ccccc2F)C1 1587765688 JAMWOYKPAOOOMV-SFTDATJTSA-N 491.589 2.132 30 10 JEEE C#CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@](C)(C(=O)NC)C1 1587770110 SSTDLXCGGHNCOQ-MHECFPHRSA-N 474.606 2.352 30 10 JEEE C#CCCCn1c(COc2cccc(C)c2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1587884153 RTIMTWTZHAUEQU-QFIPXVFZSA-N 487.626 2.210 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1Cc1ccc(-c2nc[nH]n2)cc1)[C@H]1CCS(=O)(=O)C1 1588028923 ARFFXYKUTQXGOJ-APWZRJJASA-N 453.572 2.252 30 10 JEEE C#CCN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CCCN1CCCO 1588459268 QKNKQWSXIOEDNB-HSALFYBXSA-N 460.623 2.355 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc(C#N)cc3)n2Cc2cnn(C)c2)n1 1588723437 NCPKLUZYDGQTCK-UHFFFAOYSA-N 455.526 2.081 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2ccc(C)cc2F)CC1 1588890942 JADQCOKWTKXVHO-GOSISDBHSA-N 457.550 2.464 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2Cc2snnc2C)CC1 1588946721 HTXHFJDYOUNGKB-UHFFFAOYSA-N 453.547 2.182 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CC(=C)Br)CC1 1588961708 JRKVWWVZSDTOBA-UHFFFAOYSA-N 460.380 2.014 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCC2CC(OC(C)(C)C)C2)CC1 1588961833 NMRGVTZTRHWITN-UHFFFAOYSA-N 484.645 2.350 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1589548354 YROVWFVMWXVTLT-WTGUMLROSA-N 493.674 2.293 30 10 JEEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)Nc2ccc(C)cn2)CC1 1593636661 PJUSFBSENDICCR-SFHVURJKSA-N 458.588 2.315 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1ccc2cnccc2c1 1595467003 PBNSTSSRERIBID-UHFFFAOYSA-N 456.510 2.412 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F 1595550330 COFBMNNSANSEAR-QGZVFWFLSA-N 491.474 2.482 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1595776807 FWFCMWRFHPCQAB-FQEVSTJZSA-N 470.599 2.265 30 10 JEEE CC(C)NC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@](F)(C#N)C1 1610076656 AZSWMKIOSVJIEG-ZHRRBRCNSA-N 463.558 2.359 30 10 JEEE CC[C@H](C)[C@](C)(O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2C#N)CC1 1613112652 HWWSXCHMUHRLNX-RGZWJVDOSA-N 451.575 2.225 30 10 JEEE CO[C@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1618937422 FDJPRTXWPUTHQK-LJQANCHMSA-N 465.602 2.423 30 10 JEEE COc1cc(C)cc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(CC#N)CC2)c1 1619066169 BZXGFFSKESMALS-NRFANRHFSA-N 488.614 2.106 30 10 JEEE COc1ccc(S(=O)(=O)NCc2cn(C)nc2-c2ccc(C#N)cc2)cc1C(=O)N(C)C 1622016917 BPOPOGZGILBNDI-UHFFFAOYSA-N 453.524 2.148 30 10 JEEE N#Cc1cn(CC(=O)N2CCN(Cc3ccc(-c4ccccc4F)s3)CC2)c(=O)nc1O 1623490675 FNFKEUHYMDBWMB-UHFFFAOYSA-N 453.499 2.033 30 10 JEEE C=CCCC(=O)[C@@H]1CCCN1C(=O)C[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 1628637512 SGCOFSOAELGEJU-VXNCWWDNSA-N 454.589 2.183 30 10 JEEE Cc1cc(Br)cn2cc(CCNC(=O)N(C)CCCc3[nH]nc(N)c3C#N)nc12 1679979145 BGVRGDGZEQHXBD-UHFFFAOYSA-N 459.352 2.399 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OCC)CCOC3)n2CCN2CC=CCC2)c1 1689868693 ORULOAYNWCIJIH-AREMUKBSSA-N 478.597 2.248 30 10 JEEE C#CCCCCn1c(-c2ccccc2OC)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1689883866 AMMXZGIURCZUFE-UHFFFAOYSA-N 484.582 2.397 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC1(CCOCC)CCC1)[C@@H]1CCS(=O)(=O)C1 1689991193 XXNKDOMMLRMVQP-WOJBJXKFSA-N 464.632 2.396 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](C(N)=O)C1 1690239202 TUMQJDYDAPFXQV-BJLQDIEVSA-N 473.599 2.032 30 10 JEEE C=C(C)COCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1690306520 WHKWAOWXYNQVAZ-UHFFFAOYSA-N 494.604 2.144 30 10 JEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1690316926 OYUOVBQOHVFFBJ-UHFFFAOYSA-N 453.469 2.229 30 10 JEEE C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1690326929 HWGROCISVBKSPS-LBPRGKRZSA-N 457.844 2.183 30 10 JEEE C=CCC(C)(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)CCS(C)(=O)=O 1690428176 HEOYSJFEENRQGX-UHFFFAOYSA-N 468.649 2.321 30 10 JEEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC[C@H](C(F)F)N1CCOCC1 1690518376 HLMVMAPZLHMJTI-GOSISDBHSA-N 469.558 2.327 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 1690726687 IVQTZOGVGBOXAQ-MRXNPFEDSA-N 453.609 2.277 30 10 JEEE CC(C)NS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(C)(C)C)CC1 1692571850 GNKWNVLHLNCSBT-UHFFFAOYSA-N 459.620 2.065 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCS(=O)(=O)CC)CC1 1705633131 JZZLGHZBIBLWHS-FQEVSTJZSA-N 459.616 2.225 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2Cc2ccc(OC)nc2OC)CC1 1705646089 QPOWVBGUGRKQDN-UHFFFAOYSA-N 460.538 2.371 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccsc2)CC1 1705651457 XQMSUMOFPWCCOV-UHFFFAOYSA-N 468.608 2.345 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(C)C)C(=O)C1 1705693520 HMODLKMBIZZRNQ-WIYYLYMNSA-N 467.574 2.211 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC2(CCOCC2)C1 1705792611 WUUCJCBYROPCGZ-GOSISDBHSA-N 467.636 2.220 30 10 JEEE C=CCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1705822369 BWAWYRAZUOVQCX-HNNXBMFYSA-N 479.368 2.277 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1705899402 RDQHKQZVOZFQJD-UHFFFAOYSA-N 468.455 2.281 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1705928510 RAYNKIPXFMHAIQ-UHFFFAOYSA-N 468.583 2.182 30 10 JEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 1705946512 JRBXENDXYOVRAY-MSOLQXFVSA-N 483.704 2.478 30 10 JEEE CN(C)C(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1710983638 DPZLPLBDJUXJBH-GOSISDBHSA-N 483.573 2.310 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@H]1CC(=O)N(CCOC)C1 1722294887 SVOODMJMAOYCCZ-OALUTQOASA-N 491.596 2.018 30 10 JEEE C#CCN(c1nnc(C2CCC2)n1CCN(CC)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1722368305 PRYQMBKLQGICOX-SFHVURJKSA-N 465.620 2.429 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(NC(=O)c2ccco2)cc1 1722369951 CWIWNTFRMUPOIA-UHFFFAOYSA-N 456.506 2.481 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@H](C)c1nc(C)cs1)[C@@H]1CCS(=O)(=O)C1 1722370398 BTRRDEQMNOQFLW-HNAYVOBHSA-N 487.655 2.335 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1722383309 SVTJQTVOMWPLEZ-HXUWFJFHSA-N 469.524 2.073 30 10 JEEE C#CCN(CCOC)c1nnc(Cn2ccc3ccccc32)n1CC1CCS(=O)(=O)CC1 1722427263 LUXNPCZFLNZFEP-UHFFFAOYSA-N 455.584 2.192 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@]2(N(C)C)CCC[C@@H](C)C2)CC1 1722445727 BFSCRTNRGTWWNC-CLOONOSVSA-N 466.634 2.155 30 10 JEEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](c2nnc3n2CCC3)C1 1722601869 YLMUEABZKQUUQI-DLBZAZTESA-N 462.624 2.166 30 10 JEEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 1722626719 GARRNQQYUUAYNO-MOPGFXCFSA-N 467.574 2.380 30 10 JEEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1CCN(Cc2cccs2)CC1 1722631743 VOEGIMMKYXRXPU-MRXNPFEDSA-N 452.650 2.484 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C)cc(OC)c1 1722672718 XGDMZSAFTJTLSX-FQEVSTJZSA-N 461.588 2.155 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N1C[C@@H](COC)O[C@H](C)C1 1722693504 QBGWRCBBCOKDEY-HIFRSBDPSA-N 482.354 2.389 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@@](F)(C#N)C1 1722728482 VALAZJBNERNMJU-OAQYLSRUSA-N 455.519 2.174 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1CCNS(=O)(=O)CC 1740540298 VDDKGITZPHRICT-CYBMUJFWSA-N 470.393 2.113 30 10 JEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1740582006 JAHJFPAXFAQPKB-HLAWJBBLSA-N 457.600 2.470 30 10 JEEE C#CCN(c1nnc(COCC)n1CC1CCN(Cc2cccs2)CC1)[C@@H]1CCS(=O)(=O)C1 1740629086 ZZPQYHZSEUZKSR-HXUWFJFHSA-N 491.683 2.415 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCN1CCCO[C@@H](C)C1 1740652626 HQAGVBLUTLUYCI-NRFANRHFSA-N 497.669 2.202 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C(=O)N2CCCCC2)cc1 1740671379 GFENNEWQEWFBMU-NRFANRHFSA-N 469.611 2.314 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2CCCN2CCCCC2=O)CC1 1740708119 CILDGWQLORNOOT-UHFFFAOYSA-N 468.627 2.299 30 10 JEEE C#CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1740709539 ORRUDFNSPVTHNZ-MJGOQNOKSA-N 487.029 2.190 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CC(=O)N(CCOC)C1 1740772820 PIKBRFCJYCZXAC-GOSISDBHSA-N 479.585 2.089 30 10 JEEE C=C(Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)CC(=O)N1CCOCC1)c1ccccc1 1740800829 VGIPACQCKNGYDO-UNMCSNQZSA-N 455.559 2.011 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1740953433 GGGHDQFBESANPA-QGZVFWFLSA-N 471.558 2.039 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1740954855 HJYNHZJYOQOODB-UHFFFAOYSA-N 456.547 2.171 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)CC(=O)NC(C)(C)C 1740990065 HNUMVHOBZFNJHA-UHFFFAOYSA-N 485.614 2.083 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1740991688 BQWTXCKVJXCATB-RBUKOAKNSA-N 497.662 2.466 30 10 JEEE C[C@H]1CC[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(CC(=O)N(C)C)CC2)C1 1742998477 GIGHBMNLSYZRHI-FPOVZHCZSA-N 465.602 2.375 30 10 JEEE CCO[C@]1(c2nnc(N(C)Cc3ccc(C#N)cc3)n2CCN2CCSCC2)CCOC1 1746654207 FRFUHCZGOMOUJP-HSZRJFAPSA-N 456.616 2.487 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OCC)CCOC3)n2C[C@H]2CC=CCO2)c1 1748691244 BFXIJPYEYPNZST-PXDATVDWSA-N 465.554 2.332 30 10 JEEE C#CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1748740069 LDRXNMAXZAIFMH-UHFFFAOYSA-N 461.588 2.141 30 10 JEEE C#CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@]1(C)CN(C2CC2)C1=O 1748789109 VUICMFQNGJZFDU-BXKMTCNYSA-N 456.591 2.473 30 10 JEEE C#CCN(c1nnc(-c2cn(C)c3ccccc23)n1C[C@@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1748812557 WGWUYURQXOGSDQ-HXOBKFHXSA-N 455.584 2.225 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1cccc(Br)n1)[C@@H]1CCS(=O)(=O)C1 1748817142 FWLMZZXYZKYFTQ-DOTOQJQBSA-N 494.415 2.005 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1748944900 IPNWVFKOZSLMQX-WOJBJXKFSA-N 475.590 2.233 30 10 JEEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCc2cccc(OCCC)c2)CC1 1748994192 CJSTUWRUZDHILK-UHFFFAOYSA-N 450.587 2.187 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2CC2([S@@](C)=O)CCC2)CC1 1749003206 BCLSEMGDQUCVLD-MGBGTMOVSA-N 469.611 2.221 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC2(C(N)=O)CCCC2)CC1 1749006128 IVHVYEQDOVYFBT-UHFFFAOYSA-N 469.977 2.005 30 10 JEEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCCS(C)(=O)=O 1749195324 LMSVPHFZJUPZIH-MRXNPFEDSA-N 457.597 2.034 30 10 JEEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1749195511 QLCBSRYWENKTGR-IXDOHACOSA-N 462.551 2.097 30 10 JEEE C=C(Cl)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@H](COCCOC)C1 1749265350 RDNZYILKVFDDKO-INIZCTEOSA-N 458.950 2.434 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@]2(C)CN(C)C2=O)C1 1749693958 MXFURDQNOHZENS-DVECYGJZSA-N 452.559 2.407 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ncnn2C(C)(C)C)C1 1749698611 UYCJZEVAMXDKJE-FDDCHVKYSA-N 459.595 2.495 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N(C)Cc1ccc2c(c1)OCCO2 1749736302 HSZOLXCSTYWEEQ-UHFFFAOYSA-N 469.567 2.272 30 10 JEEE Cc1ccc(NC(=O)c2nnc(N(C)[C@@H](C)CC#N)n2C[C@@H]2CCN(S(C)(=O)=O)C2)cc1C 1751535229 FDKIVHUHJNYTFD-ZWKOTPCHSA-N 473.603 2.167 30 10 JEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 1760144925 FARSXHSIIXRUCL-HOTGVXAUSA-N 494.021 2.205 30 10 JEEE C#CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1760147001 DCJIEEYQRYYTKQ-UHFFFAOYSA-N 465.558 2.401 30 10 JEEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(OCC)cc1)[C@H]1CCS(=O)(=O)C1 1760181052 OXPVMHQBRWZKDI-GBXCKJPGSA-N 488.610 2.004 30 10 JEEE C#CCN(c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@]1(O)CCOC1)[C@H]1CCS(=O)(=O)C1 1760183859 RUQVMKNTHCNCNI-RDPSFJRHSA-N 472.611 2.021 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1Cc1ccc(NC(=O)N(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 1760185985 IEKCIXIKLPGCBJ-HXUWFJFHSA-N 472.615 2.245 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1C[C@@H](C)Oc1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1760189238 GTCQLWJDMHKQQJ-IEBWSBKVSA-N 458.584 2.333 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CCCN1CCCCCC1=O 1760249385 ZXWFACQPHKZMFW-UHFFFAOYSA-N 477.569 2.473 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)CCS(C)(=O)=O 1760319321 MHALFHCNNLUHBC-FXAWDEMLSA-N 464.588 2.424 30 10 JEEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1760359137 CQCWKRCWSMKHEA-KRWDZBQOSA-N 481.644 2.266 30 10 JEEE C=CCCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1760436381 AHTNAPPICJJJBA-UHFFFAOYSA-N 485.614 2.473 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1760524192 RLCDFSHBWMCRJW-LJQANCHMSA-N 455.519 2.057 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(C)Cc1ccc(Br)o1 1760552333 KPLDNTDSBQODHI-UHFFFAOYSA-N 469.365 2.271 30 10 JEEE CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1766382961 GVIGTYGJYJTICQ-FQEVSTJZSA-N 481.601 2.196 30 10 JEEE CCOC(=O)c1ccc(N2C[C@@H](C(=O)Nc3c(C#N)nnn3Cc3ccc(C#N)cc3)CC2=O)cc1 1870108872 BOPXODKISRHXHJ-IBGZPJMESA-N 483.488 2.238 30 10 JEEE CC1(C)OB(c2cnc(NC(=O)c3cc(I)sn3)nc2)OC1(C)C 2056481366 GEKJHUBHAGYJNE-UHFFFAOYSA-N 458.090 2.089 30 10 JEEE CC(C)(C)OC(=O)NC[C@]1(CO)COCCN1Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2162868092 NATBTDCLIWHLBR-DEOSSOPVSA-N 462.396 2.074 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2CCC[C@@](O)(CNC(=O)OC(C)(C)C)C2)C1 2255194170 UOXLEZRPIUONGF-AVBDTAHFSA-N 451.564 2.171 30 10 JEEE CC1(C)OB(c2cc(C(=O)N[C@@H]3COCCN(C(=O)OCc4ccccc4)C3)ns2)OC1(C)C 2255638948 NHIPZMSLTVIGOI-KRWDZBQOSA-N 487.387 2.210 30 10 JEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O 2255826525 QFJKUPGUZVSHEN-CABCVRRESA-N 452.382 2.066 30 10 JEEE CC(C)(C)OC(=O)NCC[S@@](C)(=O)=NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2255948772 PNLIGDRALHMGBS-SSEXGKCCSA-N 494.466 2.359 30 10 JEEE CC(C)(C)OC(=O)N[C@]1(CO)CCCN(C(=O)c2occc2B2OC(C)(C)C(C)(C)O2)C1 2267186531 KVSUGBMRWYRMMB-JOCHJYFZSA-N 450.341 2.071 30 10 JEEE CC(C)[C@@](C)(CNC(=O)OC(C)(C)C)NC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2267504557 UQDKUQGRLLLERO-JOCHJYFZSA-N 450.389 2.389 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@]2(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2268637761 FOJLPAYZUAQNQR-ZSEKCTLFSA-N 464.397 2.235 30 10 JEEE CC(C)(C)OC(=O)NC[C@H](CO)NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(F)cc1Cl 2270431934 MPPWJSCHPXBNNT-GFCCVEGCSA-N 472.750 2.394 30 10 JEEE CC(C)(C)OC(=O)NC1CC(O)(CNC(=O)c2cccc(F)c2B2OC(C)(C)C(C)(C)O2)C1 2281784466 YWROLKRJHRWILU-UHFFFAOYSA-N 464.343 2.273 30 10 JEEE Cc1c(C(=O)N2CC(CCCNC(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281806042 GTSZASUKIFJMTB-UHFFFAOYSA-N 462.400 2.405 30 10 JEEE Cn1ncc(C(=O)N2C[C@H]3C[C@@H](NC(=O)OC(C)(C)C)C[C@H]2C3)c1B1OC(C)(C)C(C)(C)O1 2281827169 RZEDKUOWJDIUHX-ARFHVFGLSA-N 460.384 2.237 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H](F)C1CN(C(=O)OC(C)(C)C)C1 2281975867 SZDLMQANWUVUIS-MRXNPFEDSA-N 466.363 2.137 30 10 JEEE 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)F 2281985658 LFTOLZLQWHPJRW-YPMHNXCESA-N 474.289 2.237 30 10 JEEE Cc1c(C(=O)N[C@@H]2[C@H]3CCCN(C(=O)OC(C)(C)C)[C@H]32)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281992078 JTFSVDQJMWMFMX-DJIMGWMZSA-N 460.384 2.155 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 2282011409 ITCHACDOJLWFOY-PMACEKPBSA-N 450.392 2.374 30 10 JEEE Cn1nc(C(=O)N2C[C@H](F)C[C@H]2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2282047436 YIFLQIPXCQBUTP-OLZOCXBDSA-N 486.781 2.450 30 10 JEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)Nc1ccc(NC(=O)OC(C)(C)C)nc1 2282350938 USAOVJYEHOAIIZ-UHFFFAOYSA-N 479.368 2.262 30 10 JEEE CCc1nn(C)c(C(=O)N(C)C[C@@H]2CCN2C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2282561804 MMSLLMHHPUJVCN-HNNXBMFYSA-N 462.400 2.363 30 10 JEEE CC(C)n1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@@](C)(CO)NC(=O)OC(C)(C)C 2282561967 NKUZGNDEECIFMS-QHCPKHFHSA-N 465.400 2.374 30 10 JEEE C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1N(C)C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2282588830 IZQFTJVHDABOCI-DOTOQJQBSA-N 462.400 2.437 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCO[C@H]2[C@H]1NC(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2282650091 IFLILIIQBVQHHM-WZGPROSRSA-N 458.364 2.396 30 10 JEEE Cc1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NCC1(O)CN(C(=O)OC(C)(C)C)C1 2285972147 CNCNHQQMGNLNFA-UHFFFAOYSA-N 464.343 2.145 30 10 JEEE COc1cccc(C=Nn2c(SCCO)nnc2[C@H]2CC(=O)N(Cc3ccccc3)C2)c1O 2325924942 HVSWDXOMSQGPNN-SFHVURJKSA-N 467.551 2.475 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC[C@H]2[C@H]1CCN2C(=O)OC(C)(C)C 2362358040 VDGRBHOQSOZGNM-JKSUJKDBSA-N 460.384 2.333 30 10 JEEE CC(C)(C)OC(=O)NCCN1CCC(NC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)CC1 2362575234 ZWOITRHROBSFPC-UHFFFAOYSA-N 480.440 2.161 30 10 JEEE Cn1nc(C(=O)NC[C@@]23CC[C@@H](C2)N(C(=O)OC(C)(C)C)C3)cc1B1OC(C)(C)C(C)(C)O1 2363697375 LXBFLNLGSMFTHW-NPMXOYFQSA-N 460.384 2.239 30 10 JEEE C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(=O)N1CCCc2ccccc21 65096606 YNIGKYWCRQLGFV-GOSISDBHSA-N 480.590 2.443 30 10 JEEE Cc1nc2ccccn2c1/C(O)=C1/C(=O)C(=O)N(CCN2CCOCC2)[C@H]1c1cccc([N+](=O)[O-])c1 103103612 LUGIIQWZEGSSAH-MBDQKHHZSA-N 491.504 2.305 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)C[S@](=O)CC(=O)Nc3ccc(OC)cc3OC)cc21 586336802 QJQZZODHKXHGPG-XIFFEERXSA-N 472.519 2.185 30 10 JEEE CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)/C(=C(/C)NC[C@@H](O)COCc3ccco3)C(=O)[C@]12C 1075950132 HYEGVHBQCURZSO-SWTFNVCKSA-N 497.500 2.329 30 10 JEEE C#CCC1(O)CCN(C(=O)c2ccc(CNS(=O)(=O)c3ccc(C(C)=O)cc3)cc2)CC1 1153261790 BXMDKENALIYNGH-UHFFFAOYSA-N 454.548 2.358 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCCO2)c1 1286309583 SIZAJBGACPHPKW-LJQANCHMSA-N 459.510 2.161 30 10 JEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1286339127 IZQNTOCHDKYWCS-UHFFFAOYSA-N 470.599 2.100 30 10 JEEE C#CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1286349484 YATBIICNDZJWLK-KRWDZBQOSA-N 470.599 2.348 30 10 JEEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H](C)CN1CCN(CC)CC1 1286358959 OVGZRWNVVQPRAK-LJQANCHMSA-N 472.037 2.205 30 10 JEEE C#CCCCn1c(N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1286359289 AZPXJFIEIJXDHU-QHCPKHFHSA-N 469.546 2.362 30 10 JEEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(COCC(F)(F)F)c1 1286362094 VWXDGKLFBNAKBR-CQSZACIVSA-N 459.494 2.085 30 10 JEEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCCNC(=O)C1CCC1 1286369532 SLOOLTVSMKRTMN-UHFFFAOYSA-N 461.570 2.441 30 10 JEEE C#CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(N2CCOCC2)CC1 1286373301 DJZVSGRPELUKQX-IBGZPJMESA-N 458.607 2.327 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCSC1)[C@@H]1CCS(=O)(=O)C1 1286398175 WJCCAYPOAAJOHB-WOJBJXKFSA-N 485.635 2.499 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1Cc1cc(C)on1)[C@H]1CCS(=O)(=O)C1 1286398567 YTURORDRWPYRBM-FQEVSTJZSA-N 469.567 2.445 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCC(=O)NC(C)(C)C 1286402688 CNSZUWCEGKAEPE-UHFFFAOYSA-N 453.543 2.349 30 10 JEEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(CN2CCOCC2)c1 1286435530 CJMPGCSZSZCCLB-UHFFFAOYSA-N 459.554 2.265 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@]2(OCC)CCOC2)n1C[C@]1(O)CCO[C@H]1C 1286455169 SJJUIUNPHKMDFV-GLYQVZKVSA-N 458.534 2.249 30 10 JEEE C#CCSCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1286504072 IDAHBMDXTIVWEX-SFHVURJKSA-N 486.623 2.485 30 10 JEEE C#CCSCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCS(=O)CC1 1286505142 VQFHKKLVBPVMGH-UHFFFAOYSA-N 470.624 2.000 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1scnc1C 1286546241 HUNDNOBCWWRPRV-UXLLHSPISA-N 454.622 2.271 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](Nc2ccccc2)C1 1286592407 CZBGLTHGDXMVJF-UXHICEINSA-N 460.604 2.268 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)NCC1CC1 1286758368 LMLMWAUZHLOENV-GOSISDBHSA-N 460.579 2.291 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC(N(C)C(C)=O)CC1 1286787585 WXVJDXIXMTYYAH-UHFFFAOYSA-N 463.542 2.349 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC(CNC(C)=O)CC1 1286791093 UFOBJSGMZDGJNY-UHFFFAOYSA-N 454.575 2.129 30 10 JEEE C=CCOc1ccccc1Cn1c(COCC)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1286797748 AOXSARMAWYUYRV-NRFANRHFSA-N 468.602 2.171 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1C[C@@H](C)[C@@H](F)C1 1286819931 ZYEBMBAUCJXKEZ-APWZRJJASA-N 488.589 2.460 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1286820249 IBYVPPXAXUEYHS-IAGOWNOFSA-N 488.488 2.159 30 10 JEEE CC(C)NC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1288208434 DMFZSNWNPMUPIF-IBGZPJMESA-N 479.585 2.138 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2CCCN2CCOCC2)c1 1300332512 IQTANKFEPAUAES-UHFFFAOYSA-N 461.570 2.062 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CCOC(C)(C)C)c1 1300334508 NTJBSUBRNRAZOB-SFHVURJKSA-N 473.599 2.052 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3OCC[C@H]3COC)n2CCn2cc(C)cn2)c1 1300336727 MSDZIXNUDAYKCY-REWPJTCUSA-N 477.569 2.263 30 10 JEEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1300371821 INBHBBGOLWTECW-GOSISDBHSA-N 453.572 2.385 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1CC(=C)Br)[C@H]1CCS(=O)(=O)C1 1300489824 TUGQTENOCZWSMO-HNNXBMFYSA-N 495.399 2.498 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@](C)(O)C(C)C 1300579400 UVSVDKKWFYIZPT-YADARESESA-N 459.591 2.456 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccc(F)c(COC)c2)CC1 1300715855 GLJYAVHIQLXWNQ-SANMLTNESA-N 499.587 2.230 30 10 JEEE C#CCSCCn1c(C2CCCC2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1300763468 WNFFPHVKRYJUCB-UHFFFAOYSA-N 457.604 2.359 30 10 JEEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1300768387 QIIYHMSEBSMQCS-UHFFFAOYSA-N 470.647 2.232 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1 1300952513 XGMWBDPPYHZOPZ-DLBZAZTESA-N 479.607 2.078 30 10 JEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](c2cccc(F)c2)N(C)C)CC1 1301067041 WTOMZFBSBJKJPP-VQIMIIECSA-N 450.584 2.487 30 10 JEEE C=CCN(C)c1nnc(-c2cc(Br)cn2C)n1CCS(=O)(=O)N1CCSCC1 1301270932 QTURXMIYDVBPHO-UHFFFAOYSA-N 489.465 2.047 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@@]2(OCC)CCOC2)n1CC1(O)CCS(=O)(=O)CC1 1301346995 MNUXGBUSTVKAPG-XMMPIXPASA-N 490.626 2.063 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1301492422 IJPNCAXIEUKTQH-BLLLJJGKSA-N 453.421 2.132 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(Cc2cc(F)ccc2OC)CC1 1301506736 QEVZQLYPXXCLRZ-UHFFFAOYSA-N 479.560 2.036 30 10 JEEE C=CCSCCn1c(N2CCN(c3cnn(C)c3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1301624126 SIGFNKJQXNZJFR-JOCHJYFZSA-N 461.636 2.298 30 10 JEEE CS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](OCC2CC2)C1 1302468037 BZSDVGRDBKFUCS-HXUWFJFHSA-N 459.572 2.169 30 10 JEEE N#Cc1cccc(S(=O)(=O)NCC(=O)Nc2ccn(-c3ncccc3C(F)(F)F)n2)c1 1306725118 HXKPWGNJJHFVGZ-UHFFFAOYSA-N 450.402 2.075 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1CC1(O)CCS(=O)(=O)CC1 1358876570 MNEHMCZDNLCHSK-CYBMUJFWSA-N 485.379 2.244 30 10 JEEE C#CCCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC[C@H](C(=O)NC)C1 1358915865 RKMFXFSICGPAJO-QHCPKHFHSA-N 477.657 2.409 30 10 JEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1358933926 JCROSQHLAGGTTC-HXUWFJFHSA-N 469.659 2.288 30 10 JEEE C#CCN(c1nnc(C(C)C)n1CC1(N(C)C)Cc2ccccc2C1)[C@H]1CCS(=O)(=O)C1 1358955944 XHVGUIZODKUCHU-NRFANRHFSA-N 455.628 2.127 30 10 JEEE C#CCN(c1nnc(-c2cccc(Br)c2)n1C[C@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1358957157 QJOYEULAAPBYDN-YJBOKZPZSA-N 480.432 2.284 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1CCc1nccnc1C)[C@@H]1CCS(=O)(=O)C1 1358959887 RNEKZHKSXPOQGF-LJQANCHMSA-N 450.568 2.221 30 10 JEEE C#CCN(c1nnc(CCOc2ccccc2)n1C[C@@H]1OCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1358965882 DARRCLWQHNPVRM-CTNGQTDRSA-N 472.611 2.341 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(N(C)C)c(F)c1)[C@H]1CCS(=O)(=O)C1 1358966766 WLVUNISISXGTNR-FQEVSTJZSA-N 499.616 2.020 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@@H](OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1358967017 BMKFHXIVHGCWRM-YLJYHZDGSA-N 462.547 2.048 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccccc3Br)n2CCN2CCOC[C@@H]2C)CC1 1359032986 LMLFDUAHJUKDIN-SFHVURJKSA-N 473.419 2.184 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OCC)c(OC)c2)n1CCS(=O)(=O)N(C)C 1359067232 GAPKUWSMWNFFPG-JOCHJYFZSA-N 461.588 2.236 30 10 JEEE C=C(Br)Cn1c(-c2cccn2C)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1359080809 FJTWIOGDEZLOEC-UHFFFAOYSA-N 457.398 2.052 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)C[C@@H](C)CC 1359098785 FXUZIXLMDWFZPB-YRPNKDGESA-N 469.652 2.465 30 10 JEEE C=C(C)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(CC(C)C)C(=O)C1 1359118072 NIDKJXZAGVCCKN-UHFFFAOYSA-N 459.620 2.427 30 10 JEEE C=C(Cl)Cn1c(N2C[C@H](C(=O)NCCOC)CC[C@H]2C)nnc1[C@]1(OCC)CCOC1 1359156677 MVCCFGVKDJAGBW-LZJOCLMNSA-N 455.987 2.050 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCS(=O)(=O)C1 1359275037 IYBJPAIBGZLKAJ-LEWJYISDSA-N 492.667 2.240 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCN(c2cccs2)CC1 1359333880 MUGZQDBBKGFUFH-UHFFFAOYSA-N 458.613 2.253 30 10 JEEE CC(C)(C)Cc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC1CCS(=O)(=O)CC1 1359538794 FVFNEHHYPBDASM-UHFFFAOYSA-N 471.631 2.285 30 10 JEEE CC(C)(C)OC(=O)N1CC(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCOCC2)C1 1359554308 GZNBPHCWUWLYCJ-UHFFFAOYSA-N 454.531 2.432 30 10 JEEE CC(C)NS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1360315067 ASBRFGOVLGIMSV-RTWAWAEBSA-N 488.614 2.297 30 10 JEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 1442352704 KTSNFLHRZWYNKR-JYJNAYRXSA-N 450.985 2.217 30 10 JEEE C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@H]2CCN(c3cc(OC)cc(OC)c3)C2)cc1 1466046688 MTHXZZDTRYVUBX-QGZVFWFLSA-N 459.568 2.424 30 10 JEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@H](C)c1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1507622689 KSLDKGDSRWKXCU-FPOVZHCZSA-N 469.611 2.253 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H](OC)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1507625511 JWYWBSSFYLIQKO-YDHSSHFGSA-N 482.647 2.007 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H](c1ccc(CC)cc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1507630676 FHORWWYAGKSIFU-PKTZIBPZSA-N 495.653 2.171 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1CCC(=O)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1507632974 CCJLELGYPMGDAS-JOCHJYFZSA-N 483.638 2.207 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1CN1CCCCC1 1507712903 SRHUARFZEYYLMK-JOCHJYFZSA-N 450.587 2.349 30 10 JEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccccc2OC)CC1 1507740539 BMMHEMVIWOCSOP-UHFFFAOYSA-N 454.600 2.216 30 10 JEEE C=C(C)COCCn1c(-c2cc(Br)cn2C)nnc1N1CCN2CCOC[C@@H]2C1 1507837887 WRZUTHOQWRLYRP-KRWDZBQOSA-N 465.396 2.160 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1ccccc1[N+](=O)[O-])C1CC1 1507868424 JRAHCRPXKIMWKJ-SFHVURJKSA-N 496.977 2.441 30 10 JEEE C=CCN(c1nnc(C(=O)Nc2ccccn2)n1Cc1ccccc1S(=O)(=O)N(C)C)C1CC1 1507991944 YTLYZCHMXROFRQ-UHFFFAOYSA-N 481.582 2.379 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 1508084944 DIVVCBMDAFXHGO-HXUWFJFHSA-N 452.481 2.480 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC(S(=O)(=O)CC)CC2)cc1 1508101034 SPSJJDVFEWNEOV-FQEVSTJZSA-N 473.599 2.246 30 10 JEEE CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(N2CCCCC2)CC1 1517599136 FKXJZNOVNUQMLY-UHFFFAOYSA-N 451.575 2.320 30 10 JEEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCC(C#N)CC3)n2Cc2ccc(C(F)(F)F)cc2)C1 1519545771 GANWDDYQTYEWFZ-GOSISDBHSA-N 498.531 2.418 30 10 JEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)C1CCC(NC(C)=O)CC1 1539101958 OBMYNMFOXMMEFF-UHFFFAOYSA-N 486.642 2.492 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1CC[C@@H]1CCO[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1539225832 QHUFYWLOYVIGFW-YVWKXTFCSA-N 477.656 2.466 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1conc1COC)[C@H]1CCS(=O)(=O)C1 1539231044 NYJCDKRNSFTJPC-NLWGTHIKSA-N 491.614 2.006 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(Oc2cccnc2)c(F)c1 1539238830 CQDXULPWYVYPIE-QGZVFWFLSA-N 482.541 2.336 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccccn2)n1C[C@@H]1C[C@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1539252998 JZHBNLIMBOJOJZ-IRFCIJBXSA-N 462.554 2.437 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CC(F)(F)CO1 1539325259 DXQPRBLQNLZJJN-MSOLQXFVSA-N 479.528 2.474 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(F)cc2Br)n1C[C@@H]1CCS(=O)(=O)C1 1539406179 VPUAZQNJBBIEBI-AWEZNQCLSA-N 485.379 2.367 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2CC2(N(C)C)CCC2)CC1 1539488131 IDDSGQWGZZKPKO-UHFFFAOYSA-N 464.614 2.350 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@H]2CCC[C@H](O)C2)CC1 1539488622 MUNGQKZHTYRYPL-CTNGQTDRSA-N 481.597 2.383 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)c1ccc([S@@](C)=O)cc1 1539705444 TXPGHOVQVMVETQ-QWZAPTKDSA-N 481.644 2.122 30 10 JEEE C=C(Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1)c1ccccc1 1539766937 ZLISMFRAPLYWGQ-UHFFFAOYSA-N 495.628 2.083 30 10 JEEE C=CCCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 1539998004 YQBJTZQOZIOOQY-TZIWHRDSSA-N 454.623 2.462 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@H](C)C1 1540898647 QCDCRNKQTGKFRN-INIZCTEOSA-N 480.660 2.384 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCO[C@@]2(CCOC2)C1 1540900037 JEJODIUBSBORSL-NRFANRHFSA-N 482.990 2.204 30 10 JEEE CC(C)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1)N1CCCC1 1541304571 DVMGXPWHFNQLFZ-UGKGYDQZSA-N 485.658 2.407 30 10 JEEE CCN1CCC[C@@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)[C@@H](C)CC#N 1547672000 BYZWTOYIRMBLME-PKOBYXMFSA-N 459.620 2.418 30 10 JEEE CNC(=O)[C@H]1CC2(CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)CN1C(=O)Cn1cccn1 1548380389 SWGJRUIILJAIRO-LJQANCHMSA-N 474.487 2.407 30 10 JEEE CN(C)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](c2ccsc2)N(C)C)CC1 1552738332 AVWNPQGTODQNOR-JOCHJYFZSA-N 492.653 2.391 30 10 JEEE C[C@H](CN1CCN(c2ccccn2)CC1)NS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F 1561278351 GMZUPMVYOUSPOP-OAHLLOKOSA-N 453.490 2.461 30 10 JEEE N#Cc1ccc(O[C@H]2CCN(S(=O)(=O)c3cccc(C(=O)NCC(F)(F)F)c3)C2)nc1 1561611527 DTWOMSAYXOCFRH-HNNXBMFYSA-N 454.430 2.087 30 10 JEEE COC(=O)[C@H](CCC(=O)Nc1ncc2c(c1C#N)COCC2)NC(=O)OCc1ccccc1 1585440260 BBERIHZBHFTIMC-IBGZPJMESA-N 452.467 2.213 30 10 JEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(c2ccccc2)C(=O)C1 1587545805 CWMZGVMTMQIDCA-IBGZPJMESA-N 454.552 2.015 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1587632606 MXLQLQXIPDBQJP-IEBWSBKVSA-N 492.550 2.173 30 10 JEEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1(C(=O)N(C)C)CCCC1 1587985108 SRKRJQJYXJEJFC-UHFFFAOYSA-N 450.591 2.170 30 10 JEEE C#CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCS(=O)(=O)CC=C 1587985171 VATJFPGUGJNQKZ-KRWDZBQOSA-N 451.593 2.063 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@H](Cc1ccccc1)OC)[C@@H]1CCS(=O)(=O)C1 1588064183 CHKSWSUIINFHMA-PKTZIBPZSA-N 479.606 2.148 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@@H](C)N(C)C1CC1)[C@H]1CCS(=O)(=O)C1 1588069402 MWSXQJVNZQMAOG-KNQAVFIVSA-N 455.628 2.173 30 10 JEEE C#CCN(CC#C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCC(=O)N1CCOCC1 1588084345 QLNAYLDITBLUTN-SFHVURJKSA-N 455.946 2.393 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1CCOC[C@H]1OC 1588186550 YTLLVOMYVCZZGM-WOJBJXKFSA-N 484.626 2.061 30 10 JEEE C#CCN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CCCN1CCCO 1588459269 QKNKQWSXIOEDNB-ZCNNSNEGSA-N 460.623 2.355 30 10 JEEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(CC(C)C)CC1 1589027673 PYLQARHSKIXQOD-UHFFFAOYSA-N 451.604 2.065 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1593747269 SZWNIMBICCVNAC-LJQANCHMSA-N 483.635 2.078 30 10 JEEE C=C(C)COCCn1c(CCc2ccccc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1593758448 ZLEVNBHSDITXEY-HSZRJFAPSA-N 466.630 2.399 30 10 JEEE C=CC[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC(=O)N(C)[C@@H](C)C1)c1ccccc1 1594545207 RNPKFHRPBVCBOB-DFQSSKMNSA-N 457.600 2.207 30 10 JEEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1594627229 SPYVPQHTHZJVIN-IBGZPJMESA-N 459.620 2.270 30 10 JEEE C=CCCOCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(S(C)(=O)=O)CC1 1594793963 VQPXAQBNYNWXER-UHFFFAOYSA-N 469.995 2.281 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@@H](c2nnc(N3CCO[C@H](C#N)C3)n2CC2(C(N)=O)CCCC2)C1 1597461796 FXMSBGHLTXJWMK-QZTJIDSGSA-N 487.605 2.167 30 10 JEEE C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C)Cc2ccccc2C1 1611307711 FUMMWKMWBMKYNE-YLJYHZDGSA-N 472.615 2.154 30 10 JEEE CC[C@@H](C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NC2CC2)CC1)OC 1613129862 AHYIDZPXUHRVCS-GCJKJVERSA-N 465.602 2.278 30 10 JEEE CCCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC(F)(F)F)CC1 1614929748 AGDGERFKMGYUHO-UHFFFAOYSA-N 477.491 2.238 30 10 JEEE CCS(=O)(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cc(C)no2)CC1 1617261360 HDTCIOQTKGTJQW-UHFFFAOYSA-N 470.555 2.477 30 10 JEEE CS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC([C@@H]2CCCO2)CC1 1620166762 IFHYAAVPBVNEFZ-FQEVSTJZSA-N 459.572 2.169 30 10 JEEE C=CCNC(=O)c1cccc(S(=O)(=O)NCc2ccc(C(=O)N=c3cc[nH]cc3)cc2)c1 1621702114 KRHUAEIVOVVPLA-UHFFFAOYSA-N 450.520 2.150 30 10 JEEE C#CCCN1CCN(C(=O)c2nnn([C@@H]3CCN(C(=O)OC(C)(C)C)C3)c2C(F)F)CC1 1626211794 BHWRQOKZIKYAQX-OAHLLOKOSA-N 452.506 2.179 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H](c1ccco1)N(C)C 1690013669 YGBMNAMBZFJDLW-HXUWFJFHSA-N 455.522 2.161 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1690115407 FHGZTRGTDRTBEV-LJQANCHMSA-N 455.628 2.433 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)cn3C)n2CCCCCO)CC1 1690137495 BBYLGPSWDMCFMC-UHFFFAOYSA-N 477.407 2.175 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCOC[C@@H]2CCOC2)CC1 1690140155 OAYIDXLJWHZQNS-NRFANRHFSA-N 476.581 2.226 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2CC2(C(=O)NCC)CCC2)CC1 1690150663 PTUTZVOWJLGTDB-UHFFFAOYSA-N 476.625 2.336 30 10 JEEE C=C(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1690284768 XNIUUSZPLQZGRW-UHFFFAOYSA-N 492.628 2.149 30 10 JEEE C=C1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CCN2CCN(C(C)=O)CC2)CC1 1690367123 BYHLBTSXACFFDM-UHFFFAOYSA-N 484.601 2.291 30 10 JEEE C=CC[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)NC)CC1)c1ccccc1 1690442218 OIHQJZLSCYSPHI-HXUWFJFHSA-N 451.575 2.335 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1690667712 FGFGELRSZLBTIO-FUHWJXTLSA-N 455.563 2.382 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC(C(N)=O)CC1 1690717519 IOOFCOSFFUQEBN-OAHLLOKOSA-N 477.656 2.434 30 10 JEEE C=CCS(=O)(=O)CCn1c(CSc2ccc(C)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1690729015 CZMABNFOIKWGDA-QGZVFWFLSA-N 484.669 2.103 30 10 JEEE CCOCc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CC1CCN(C(=O)OC)CC1 1696340857 DXYRRRGTCRDJLE-UHFFFAOYSA-N 481.601 2.487 30 10 JEEE COCC1(Cn2c(C(C)C)nnc2N2CCN(c3nccnc3C#N)C[C@H]2C)CCOCC1 1697801809 GDNSIUHBAZLOPO-GOSISDBHSA-N 454.579 2.221 30 10 JEEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1705550271 WMIIRLMJGYWOFL-HDICACEKSA-N 463.586 2.149 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCc1ccc(C=C)cc1)[C@H]1CCS(=O)(=O)C1 1705561292 SDQNJRSGMKFWRM-NRFANRHFSA-N 490.589 2.438 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@H](C)N(C)C1CC1)[C@@H]1CCS(=O)(=O)C1 1705562776 KCOGNLPVXVYMNW-PKOBYXMFSA-N 487.626 2.072 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC1(N(C)C)CCCCC1)[C@H]1CCS(=O)(=O)C1 1705564097 AAUZSGNLFLPZGE-UXHICEINSA-N 463.648 2.063 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCSc1ccccc1)[C@H]1CCS(=O)(=O)C1 1705572102 QROGTZBQBGLCBZ-ZJOUEHCJSA-N 490.651 2.421 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1C(F)(F)F 1705621929 SHSUJLNFNARFHY-CQSZACIVSA-N 459.494 2.041 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H](c2ccco2)N(C)C)CC1 1705648105 NVGFTJFOKZSECI-PMACEKPBSA-N 454.575 2.034 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2CCNC(=O)C(C)(C)C)CC1 1705650474 RKPRSSPLPIMFBY-UHFFFAOYSA-N 489.624 2.478 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H](CC)C1 1705931424 PGWNBDUYSYUYER-INIZCTEOSA-N 452.602 2.186 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H]2CCC[C@H]21 1705935989 HOCHTZKCLSPYFP-KSZLIROESA-N 481.619 2.176 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1C[C@H](c1ccccc1)N1CCCC1 1706863915 DECKQPYTHDEAHD-WIYYLYMNSA-N 471.631 2.465 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@H](C)N1CCOCC1 1722295593 XPBRSPMGNUTMDE-RBUKOAKNSA-N 463.586 2.415 30 10 JEEE C#CCCCn1c(N2CCCN(c3nccc(OCC)n3)CC2)nnc1[C@@]1(OCC)CCOC1 1722341043 QJRFRZMZFUALMV-XMMPIXPASA-N 469.590 2.249 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CCC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1722359880 QMMVTRUVKYJVLR-SFHVURJKSA-N 463.991 2.140 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1722363473 FYUXBTXXFJGLOU-POAQFYNOSA-N 495.001 2.114 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@]1(O)CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1722365160 LACGJFHWOPCXGH-ZCVJKFOLSA-N 456.612 2.355 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1722518191 WSFBGAPPYPNTIQ-GBESFXJTSA-N 453.653 2.470 30 10 JEEE C=C(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1722521197 CYYJJAIOZBCVBW-UHFFFAOYSA-N 488.570 2.178 30 10 JEEE C=CCCCCn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1722597775 RCSARGOEGWZSTB-UHFFFAOYSA-N 452.559 2.237 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCO[C@@H](c2ccccc2)C1 1722702126 DSRPWYTYCUEHBE-VWPQPMDRSA-N 455.559 2.272 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCN(c2ncnc3sccc23)CC1 1722729173 XNHGZEXWFUBABS-UHFFFAOYSA-N 475.644 2.409 30 10 JEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1722739896 YOUBMVVTXRSAGU-KURKYZTESA-N 497.687 2.403 30 10 JEEE CCOC(=O)N[C@H](CC(C)C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)NC)CC1 1728703607 CPSGHXLAFPLPTE-HXUWFJFHSA-N 482.589 2.439 30 10 JEEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC1(C)CC1 1729409365 GOEAQMDTDBAUED-IBGZPJMESA-N 458.588 2.309 30 10 JEEE N#Cc1ccc(-c2nnc(N3CC[C@@H](C(=O)NCC(F)(F)F)C3)n2CCC2(O)CCOCC2)cc1 1731180195 BWNKJOYRAPGTRY-GOSISDBHSA-N 492.502 2.253 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1740621781 PAVXEWVAGDBQNM-IRXDYDNUSA-N 476.603 2.155 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H](C)Sc1ccccc1)[C@H]1CCS(=O)(=O)C1 1740622632 ZXRFCICWGJZTHX-MJGOQNOKSA-N 470.624 2.486 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCC[C@@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1740628161 VXEVECIRVZVMDI-AQNXPRMDSA-N 450.605 2.148 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(F)cc2Br)n1C[C@@H]1CC(=O)N(CCOC)C1 1740635830 RPZIBOOZQVTHAO-MRXNPFEDSA-N 488.361 2.414 30 10 JEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](CC(C)C)N(C)C 1740636936 JARPMIBOEJOLJU-LJQANCHMSA-N 455.632 2.287 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@]2(OC(C)C)CCOC2)n1CCC(=O)N1CCOCC1 1740677786 QKISXOYMHYJVEI-SANMLTNESA-N 499.587 2.347 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC1(C)C 1740679059 MSPWOEZMEJYVGA-AZUAARDMSA-N 475.590 2.436 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2ccc(OC)nc2)CC1 1740700776 HQVMPGOAYGIDIB-BGYRXZFFSA-N 481.601 2.256 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCSc2ccccc2)CC1 1740706480 USBDTBSHIXWLJW-HXUWFJFHSA-N 466.611 2.377 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCC[C@@H]2OC)CC1 1740708042 AEAKRWJBOXCILI-OALUTQOASA-N 484.626 2.051 30 10 JEEE C#CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(CCS(C)(=O)=O)C1CC1 1740713255 ACWGVDUHNSSNCA-UHFFFAOYSA-N 462.597 2.096 30 10 JEEE C#CCSCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CC[C@@](C)(C(N)=O)C1 1740716021 IWFPHPAKSBVLDX-XMMPIXPASA-N 479.610 2.133 30 10 JEEE C#CCSCCn1c(COc2ccc(C)c(C)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1740721759 SIEDLNDLGHKVMC-UYAOXDASSA-N 458.584 2.201 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](c1cccc(F)c1)N(C)C 1740726174 YSPWLFJUNOFNFI-ZWDAVXSWSA-N 462.595 2.322 30 10 JEEE C=C(Br)Cn1c(N2CCC(CNC(C)=O)CC2)nnc1[C@@]1(OCC)CCOC1 1740748416 FWPOFMLUDHQLHY-LJQANCHMSA-N 456.385 2.191 30 10 JEEE C=CCCOCCn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1740882873 BAHLSOWLPMWYHH-UHFFFAOYSA-N 474.993 2.364 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](C)[C@H](C)C1 1740960095 KYMSUBFLJUTGSR-KSZLIROESA-N 462.595 2.371 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CCO[C@H](Cn2cccn2)C1 1740989210 FFRRAESTFLDXDG-KRWDZBQOSA-N 476.990 2.301 30 10 JEEE C=CCS(=O)(=O)CCn1c(CSc2ccc(C)cc2)nnc1N1CC(=O)N(C)[C@H](C)C1 1740994392 QVWWUYSVFABZBE-QGZVFWFLSA-N 463.629 2.147 30 10 JEEE CC(C)OC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCSC2)CCO1 1741745639 CXKQQGHNTIRCHR-NFBKMPQASA-N 473.599 2.227 30 10 JEEE CCN(c1nnc(-c2ccc(C#N)cc2)n1CCc1nnc(C)s1)[C@H]1CCS(=O)(=O)C1 1745947476 IAIHBPBDQZHSFJ-KRWDZBQOSA-N 457.585 2.233 30 10 JEEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1748757492 DPYLMBBCCSJJQB-UHFFFAOYSA-N 451.497 2.448 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(C)c(Br)c2)n1CCN1CCCS1(=O)=O 1748953063 DJUMBFSZOGONKX-UHFFFAOYSA-N 496.431 2.138 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc(C)o3)n2C[C@@H]2NC(=O)CC2(C)C)n1 1748970971 YTJZKNQBPNGLEV-FQEVSTJZSA-N 465.558 2.244 30 10 JEEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCCN(C(=O)Cc2cccc(F)c2)CC1 1749210384 IRWQEMPNJSWVBP-UHFFFAOYSA-N 486.592 2.430 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1749653073 VNLRINUOGAVHKE-LJQANCHMSA-N 496.591 2.305 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1749657667 ALCJJQBNAKBDFL-NRFANRHFSA-N 493.612 2.311 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ncnn2C(C)(C)C)C1 1749698613 UYCJZEVAMXDKJE-MBSDFSHPSA-N 459.595 2.495 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC(CO)CC1 1749723977 FEOCDRLVBIUFST-INIZCTEOSA-N 452.552 2.367 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCC(C)=C(Br)C2)nnc1[C@]1(OCC)CCOC1 1749739499 DGWZSVWCZZBDLG-IBGZPJMESA-N 489.436 2.410 30 10 JEEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(Cc2csc(C)n2)CC1 1749760771 MCKLPHPHNXIWSS-UHFFFAOYSA-N 461.661 2.407 30 10 JEEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1760143825 TYGFDYHTWSNDJE-VXKWHMMOSA-N 455.607 2.251 30 10 JEEE C#CCN(CC)c1nnc(-c2ccc(Br)cc2)n1CC1(O)CCS(=O)(=O)CC1 1760228864 VDKOVZKHHFMQBV-UHFFFAOYSA-N 467.389 2.107 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCNc2ccccn2)CC1 1760255121 CKAVNXJGBLHAGP-UHFFFAOYSA-N 479.610 2.001 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@](C)(O)C(C)C)CC1 1760263710 MGYHBOJQXRAPLF-GLDPYIMESA-N 460.623 2.211 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2Cc2cccc(COC)c2)CC1 1760269236 BZCQCQVXIIIFSP-QFIPXVFZSA-N 451.571 2.333 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccc(OC)cc3)n2CCn2cc(C)cn2)CC1 1760270887 DQZDTTBSDNFDHT-UHFFFAOYSA-N 475.597 2.243 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1CC[C@H](C(F)F)N1CCOCC1 1760290747 OPJPBILEMQCTNN-SXSPYAJSSA-N 467.561 2.278 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCOC[C@@H]1C 1760294695 DQSQIUXCKOXLFM-ZYLNGJIFSA-N 488.633 2.299 30 10 JEEE C=C(Br)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(C(N)=O)CC1 1760306211 DPPIBHISAGNPOI-UHFFFAOYSA-N 475.395 2.062 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](C(N)=O)C1 1760319608 TUMQJDYDAPFXQV-WSTZPKSXSA-N 473.599 2.032 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1c2ccccc2C[C@H]1C 1760337872 XLSNPXMZKPSVEQ-DENIHFKCSA-N 488.658 2.465 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1c2ccccc2C[C@@H]1C 1760337875 XLSNPXMZKPSVEQ-UGKGYDQZSA-N 488.658 2.465 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CN(C)CCCC)CC1 1760346081 HQHZXFJHZLFIQW-HXUWFJFHSA-N 468.668 2.135 30 10 JEEE C=C(C)Cn1c(N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)nnc1[C@@]1(OCC)CCOC1 1760349189 CQBKTFWKZSULQZ-VGOFRKELSA-N 451.568 2.236 30 10 JEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 1760356912 ZLGAVBQPFHYMOR-VQIMIIECSA-N 461.588 2.423 30 10 JEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1760360041 OQXPJZUWWVLEQX-UHFFFAOYSA-N 458.607 2.222 30 10 JEEE C=CC1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2Cc2cnn(CCOC)c2)CC1 1760398569 CZHHPJMKRIQQHI-UHFFFAOYSA-N 499.641 2.489 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCNC(=O)C1)C(C)C 1760490053 OXILVLKCLGUSPD-SIKLNZKXSA-N 466.586 2.425 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(C(=O)c2c(F)cccc2Cl)CC1 1760525428 FVZQJKWLFCLKEG-UHFFFAOYSA-N 497.962 2.321 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1760552415 MTPSUALYVAIWBS-KKSFZXQISA-N 450.536 2.069 30 10 JEEE C[C@H]1COCCN1CCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](C(F)(F)F)C1 1763232283 CVSBUAVVLLHCRF-LPHOPBHVSA-N 480.491 2.217 30 10 JEEE CCCC(O)(CCC)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1765590521 BSUONHKBOFIAPT-IBGZPJMESA-N 470.622 2.354 30 10 JEEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1CCCN1CCCO[C@@H](C)C1 1769126912 DVNADOKIFSIYGG-OALUTQOASA-N 453.591 2.136 30 10 JEEE CC(=O)c1cccc(NC(=O)[C@H](CO)NC(=O)C2CCN([C@H](C#N)c3cccs3)CC2)c1 1866868006 RKHWIMPKVBHTJP-VQTJNVASSA-N 454.552 2.343 30 10 JEEE C#CCOc1cn(Cc2ccc(S(N)(=O)=O)cc2)c(CNc2ccc(OC)c(OC)c2)cc1=O 1871008273 OTKOHTVQZOJUPA-UHFFFAOYSA-N 483.546 2.185 30 10 JEEE C=CCn1c(C(=O)N2CC(O)C2)cc2c(N3CCN(c4ccccc4Cl)CC3)ncnc21 1873562632 LZUAOCWKTSVACO-UHFFFAOYSA-N 452.946 2.414 30 10 JEEE CC(C)N1C(=O)CS[C@@H](C(=O)N2CCN(c3nccc(N(C)C)n3)CC2)[C@@H]1c1ccc(C#N)cc1 1889638176 NJOKGDKFQSZDBX-XZOQPEGZSA-N 493.637 2.157 30 10 JEEE CN(C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1)[C@@H]1CC[C@H]1NC(=O)OCc1ccccc1 2255820997 XLKQBISTODRJHY-IEBWSBKVSA-N 468.363 2.249 30 10 JEEE CN(C[C@@H](O)CN(C)C(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2255870964 PMIQOSANYDUCTJ-AWEZNQCLSA-N 454.398 2.347 30 10 JEEE CC(C)(C)OC(=O)N[C@@](C)(C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1)C(C)(C)O 2256614543 OGCDATXLIMZNSZ-FQEVSTJZSA-N 455.386 2.435 30 10 JEEE C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1sccc1B1OC(C)(C)C(C)(C)O1 2256618077 OCYILFOSFSSXNN-CZUORRHYSA-N 454.398 2.280 30 10 JEEE Cc1nc(C(=O)NCCN(C[C@@H](C)O)C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2267165445 FTAQKYDWBXXAER-CYBMUJFWSA-N 469.413 2.098 30 10 JEEE Cn1nc(C(=O)NCCC2CN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2267178079 XIDTTYRFTQZKGQ-UHFFFAOYSA-N 468.791 2.360 30 10 JEEE Cc1cc(S(=O)(=O)NOCCCNC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2267364488 ZXACQZKETYGEHM-UHFFFAOYSA-N 470.397 2.419 30 10 JEEE CC(C)(C)OC(=O)NC[C@H](NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1)C1CC1 2267706255 UPXBFSBBSRHCLI-AWEZNQCLSA-N 487.453 2.165 30 10 JEEE CC(C)(C)OC(=O)NCC[S@@](C)(=O)=NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1O 2267804144 RHPHSRBHTKPTFY-JGCGQSQUSA-N 468.381 2.454 30 10 JEEE Cc1csc(CNC(=O)[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2268787051 UCNHSMYNXUIHTB-QFIPXVFZSA-N 466.409 2.344 30 10 JEEE CC(C)(C)OC(=O)N1CC(O)(C(F)(F)CNc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2272879541 FGGAHEJXLFIJPK-UHFFFAOYSA-N 455.311 2.410 30 10 JEEE C=C(CS(=O)(=O)N1C[C@H](COC)C[C@@H]1CNC(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2273806871 DXOHOQDQBOGSMY-IAGOWNOFSA-N 474.429 2.365 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)Cc3nccn3C2)C1 2281228059 KQWZAWBNUZRXBI-COYMHYPVSA-N 473.574 2.425 30 10 JEEE Cc1c(C(=O)N2C[C@H]3C[C@H]2CN(Cc2ccccc2)C3)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281985645 MZLUVWOCTRQEDP-PMACEKPBSA-N 450.392 2.374 30 10 JEEE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1N(C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282036862 OMWPQZIIHFNRFU-NVXWUHKLSA-N 462.400 2.437 30 10 JEEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@@H](NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)C2 2282176531 ACXHQGYQBLWCSU-PHZGNYQRSA-N 458.368 2.436 30 10 JEEE CN([C@@H]1CCCN(C(=O)OC(C)(C)C)C1)S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282298508 NBMWOGKFFFGXGK-QGZVFWFLSA-N 481.424 2.401 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@H]2NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2282315243 LMACJXRWOHZRTH-BVGQSLNGSA-N 482.383 2.411 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H]2CN(S(=O)(=O)c3cncc(B4OC(C)(C)C(C)(C)O4)c3)C[C@@H]21 2282353027 SHUJQHYDHSACJL-YJBOKZPZSA-N 479.408 2.011 30 10 JEEE C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CN1Cc1ccccc1 2282492216 NZCKUVZSEMGTPV-IEBWSBKVSA-N 474.436 2.003 30 10 JEEE Cn1cc(C(=O)NCC2(F)CCN(C(=O)OC(C)(C)C)CC2)c(B2OC(C)(C)C(C)(C)O2)n1 2282575635 FSVVHTUDWFYOOV-UHFFFAOYSA-N 466.363 2.188 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(C(=O)N2C[C@@H](O)C[C@@H](NC(=O)OC(C)(C)C)C2)c1 2282681108 UYKXNMLNKNTKNV-MOPGFXCFSA-N 460.380 2.394 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)[C@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cn2C)CCO1 2282683526 FDDQKYZUHQGBJB-MAUKXSAKSA-N 463.384 2.079 30 10 JEEE CC(C)(C)OC(=O)NCCN(CC(F)(F)F)C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2282711613 FKLXFCGFVJVVEL-UHFFFAOYSA-N 474.289 2.305 30 10 JEEE C[C@H]1CN(Cc2ccccc2)CCCN1S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282846454 KALGBOMCFMFYML-SFHVURJKSA-N 474.436 2.004 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1COCCN1C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1O 2282882069 GYYVYOYHNGOASK-INIZCTEOSA-N 462.352 2.057 30 10 JEEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)N(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2283064537 ZQQJWCZGFPXUJY-HZPDHXFCSA-N 460.384 2.493 30 10 JEEE C[C@H]1Cc2cc(C(O)=C3C(=O)C(=O)N(CCN4CCOCC4)[C@@H]3c3cccc(O)c3)ccc2O1 2296226401 HUDXMGLAYWAIDP-QMHKHESXSA-N 464.518 2.470 30 10 JEEE CCCOC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1N=Cc1ccc(O)cc1O 2329063288 JXCKVMIEDVSWFY-HNNXBMFYSA-N 461.544 2.341 30 10 JEEE CC(C)(C)OC(=O)N[C@]1(CO)CCCN(c2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)C1 2345714633 RJSJRRRPIKNNKK-JOCHJYFZSA-N 451.348 2.376 30 10 JEEE COC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)Oc1cc(B2OC(C)(C)C(C)(C)O2)c(F)cn1 2345740785 IINOEEBMJVFTBX-LRDDRELGSA-N 454.304 2.354 30 10 JEEE Cn1ncc(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 2359268234 APWPAPUFAAMUDF-ZOBUZTSGSA-N 460.384 2.095 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H]3CCN(C(=O)OC(C)(C)C)[C@@H]3C2)n1C 2362333226 RLISUGMQABARQX-JKSUJKDBSA-N 460.384 2.109 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H](CNC(=O)OC(C)(C)C)[C@@H](C)C2)n1C 2362491075 ZHUBLSIXGBMVNY-HOCLYGCPSA-N 462.400 2.261 30 10 JEEE COc1nc(O[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2N(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2365372295 BPDCSPXRSQDIGQ-IRXDYDNUSA-N 463.384 2.318 30 10 JEEE CCOc1ccc(/C=N/Nc2nc3c(c(=O)[nH]c(=O)n3C)n2C[C@@H](O)COc2cccc(C)c2)cc1 107071870 RTCFBIBKBWERMT-WUERFNLMSA-N 492.536 2.016 30 10 JEEE C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(CNc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CC1 204865972 MOKLJBXDEPRDQD-MRXNPFEDSA-N 489.426 2.340 30 10 JEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)cc(Cl)c2)c(=O)n1C[C@@H]1CCCO1 603989864 LEEOMUJJECXPFB-INIZCTEOSA-N 464.374 2.201 30 10 JEEE CN(CCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccccc2)c1=O)c1ccccc1 608827707 FDMSZPMZFUCCMN-UHFFFAOYSA-N 458.587 2.218 30 10 JEEE C=CCNS(=O)(=O)c1ccc(Cc2nc([C@@H]3COCCN3C(=O)OC(C)(C)C)no2)s1 904703785 SWFLBFDQXQXMJX-AWEZNQCLSA-N 470.573 2.495 30 10 JEEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)N2CCC(N3CCNC3=O)CC2)c1 918546781 GOBVJUYFWJDOKP-LKUDQCMESA-N 476.603 2.301 30 10 JEEE NC(=O)CSc1nnc(NC(=O)CSc2n[nH]c(NN=Cc3cccc(Cl)c3)n2)s1 1084128885 PITXYVSXJMTEJJ-UHFFFAOYSA-N 483.992 2.064 30 10 JEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCCO[C@H](CNC(=O)OC(C)(C)C)C2)c1 1141900575 YRFUVLXWWVLSFJ-GOSISDBHSA-N 450.557 2.239 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCNC(=O)C(C)(C)C 1286272692 BOOPSGLNOBFRKM-OAHLLOKOSA-N 459.620 2.167 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1286387393 QRKQTZGNAINWNL-HKUYNNGSSA-N 488.614 2.222 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1cc(C)cc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1286393614 LOCNTUNVKLKLFS-WOJBJXKFSA-N 458.584 2.164 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@@H]1CCOC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1286394384 OHMOHJUKCSALQT-GIVPXCGWSA-N 472.611 2.177 30 10 JEEE C#CCN(CCOC)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCCn2cc(C)nc21 1286469706 XFEVZQYCEAGHKR-GOSISDBHSA-N 467.599 2.438 30 10 JEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(Oc2cncc(Cl)n2)CC1 1286710796 DAGJJLIDJPOFNT-INIZCTEOSA-N 497.021 2.264 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1286780484 VXXAFLAAGCATDF-PJSUUKDQSA-N 479.379 2.111 30 10 JEEE Cc1ccc(NC(=O)c2nnc(N3CCC(C#N)CC3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)cc1C 1289728611 DVJHNLHUNJZEMT-LJQANCHMSA-N 485.614 2.169 30 10 JEEE NS(=O)(=O)c1ccc(NCC(=O)N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c(F)c1 1291911116 DGKAYRPSMVGULB-IUCAKERBSA-N 451.364 2.474 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(C(=O)N(CC)CC)cc1 1292133180 GHKDJQVGJXRCFS-NRFANRHFSA-N 481.601 2.456 30 10 JEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](CC)[C@@H]2CN(Cc3ccccc3)CCO2)cc1 1294531422 YMALSVNGYYXZRZ-PKTZIBPZSA-N 455.580 2.008 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2CCC2CCOCC2)c1 1300336713 MKRFOYROEJIWKT-UHFFFAOYSA-N 464.570 2.273 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(F)cc2Br)n1C[C@]1(O)CCO[C@H]1C 1300655182 RBZGTYPOWHLJKZ-VBKZILBWSA-N 467.339 2.473 30 10 JEEE COc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1CCCN1C[C@H](C)O[C@@H](C)C1 1300658436 DVWMMJDEKIEWQX-SLFFLAALSA-N 470.574 2.094 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCc2ccc(N(C)C)cc2)CC1 1300716864 TVAAZCUJPAPQMX-MHZLTWQESA-N 494.640 2.205 30 10 JEEE C#CCSCCn1c(Cc2ccccn2)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1300765554 GZICBEULBGRUNW-UHFFFAOYSA-N 460.563 2.363 30 10 JEEE C#CCSCCn1c(COc2ccc(Br)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1300770138 OFLTXLWQTBJBFG-INIZCTEOSA-N 491.415 2.200 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2cc(C)no2)CC1 1300875751 QEHABFULOOUVQR-UYAOXDASSA-N 457.579 2.016 30 10 JEEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(COC)CCOCC1 1301277804 AJTVNJZXRANIJY-UHFFFAOYSA-N 463.604 2.261 30 10 JEEE CCOC(=O)c1c(NC(=O)NCc2ccc(N3CCCS3(=O)=O)cc2)c(C#N)cn1CC 1310892504 DNLIAISXTBVSKC-UHFFFAOYSA-N 459.528 2.418 30 10 JEEE CCOC1CC(O)(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(CC(C)C)C(=O)C2)C1 1314259354 BCUIOABNFPVHBZ-UHFFFAOYSA-N 452.559 2.051 30 10 JEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](Cc2ccccc2)C1 1358913067 FCVWMKLJMSNUGD-VXKWHMMOSA-N 471.627 2.484 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1CCCOC1)[C@@H]1CCS(=O)(=O)C1 1358959439 IUPCZWBELUIYHA-PKOBYXMFSA-N 474.583 2.016 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Br)n1C[C@@](C)(O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1358959660 NJHFHAFBHAZSGY-IIBYNOLFSA-N 493.427 2.495 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CC1(O)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1358965479 VXGCVUAGMWZZGY-HXUWFJFHSA-N 460.575 2.330 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(Br)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1358986919 LNNBSMNMKHMUIX-KRWDZBQOSA-N 490.427 2.452 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@H]2CCOC[C@H]2OC)CC1 1359031283 WOKVURCFBNFLGP-AZUAARDMSA-N 461.513 2.353 30 10 JEEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1(O)CCN(C(C)C)CC1 1359238043 XFKRSVICMFXXAB-UHFFFAOYSA-N 461.636 2.096 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN(C(=O)OC(C)(C)C)C2CC2)C1 1359320454 QQITZPZOEQGBLQ-ROUUACIJSA-N 460.579 2.410 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC[C@@H](c2nc(C)cs2)C1 1359331432 YWFSZZYOQKQQGJ-MRXNPFEDSA-N 459.601 2.485 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1 1359557127 DAGAVWYKLYVDSJ-MRUHUIDDSA-N 482.582 2.022 30 10 JEEE C=CCn1c(S)nc2cc(C(=O)NCc3ccc(S(=O)(=O)NCC)cc3)ccc2c1=O 1465803585 RXLXGYZFLKNFKX-UHFFFAOYSA-N 458.565 2.099 30 10 JEEE Cc1nn(C)c(C)c1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1492720831 BZNFPARUQBZYKJ-UHFFFAOYSA-N 482.614 2.076 30 10 JEEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C(=O)OC)CC1 1507588789 QKLIGNKEMVGWPJ-SFHVURJKSA-N 461.563 2.389 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@H](C)CN1CCOCC1 1507648329 NJBYQHLYUBOKDQ-OAQYLSRUSA-N 487.608 2.277 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCOc2ccccc2C)CC1 1507719251 MALPPRLYDLTZQX-VWLOTQADSA-N 453.587 2.461 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCNC(=O)c2cc[nH]n2)CC1 1507722000 WMGHBPZYQMXCOV-UHFFFAOYSA-N 473.368 2.160 30 10 JEEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1507754144 LPHHEDWVIPXRSP-SFHVURJKSA-N 455.650 2.184 30 10 JEEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1507757227 VVYHGCNPCUHINW-UHFFFAOYSA-N 496.662 2.450 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C(=O)OCC)CC1 1507824509 ARGWKIIKBACTII-UHFFFAOYSA-N 462.576 2.050 30 10 JEEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1507835718 KLUZZKFHRUJQGW-LJQANCHMSA-N 477.573 2.413 30 10 JEEE C=CCCOCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCCN(C(C)=O)CC1 1507957991 NNWDIVLQWGLBIV-UHFFFAOYSA-N 489.646 2.198 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CCN(c2cnccn2)CC1 1508137736 QPYVTZAYQZDISR-UHFFFAOYSA-N 473.990 2.316 30 10 JEEE CC1CCN(CCCn2c(-c3ccc(C#N)cc3)nnc2N2CCC(NS(C)(=O)=O)CC2)CC1 1512337251 AFEORZYLKKPUFO-UHFFFAOYSA-N 485.658 2.457 30 10 JEEE C#C[C@@H](NC(=O)c1cnc2c(c1CC)c(=O)n(C)c(=O)n2C)c1ccc(Br)cc1 1528498576 XZHUPCJUWJMFQP-MRXNPFEDSA-N 455.312 2.061 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCc2nccn2C1 1539350503 NXZIUMBLOWCOOD-SFHVURJKSA-N 467.599 2.114 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1CC1(COC)CCOCC1 1539390060 HKPXCTHDVKHFFK-HXUWFJFHSA-N 455.534 2.451 30 10 JEEE C#CCSCCn1c(CC2CC2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 1539524698 NESBMIBESRKBJQ-PZJWPPBQSA-N 458.676 2.414 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N1CCC(C(=O)NCCOC)CC1 1539636460 KPAKPNPYQFJDIS-NFBKMPQASA-N 468.602 2.224 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](NC(C)=O)C1 1539647060 VCVBNJWZIUXRJH-OPYAIIAOSA-N 472.615 2.356 30 10 JEEE C=CCCOCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCNC(=O)CC1 1540036637 QKHNANXEDBCOEM-SFHVURJKSA-N 462.595 2.312 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN([C@H](C)c2nc(C(C)C)no2)CC1 1540868740 PPRNXWWDLKHIDJ-QGZVFWFLSA-N 465.562 2.032 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1540896023 DUDFROZLYZEZFI-MTQWCTHYSA-N 481.663 2.260 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1540904860 QYNJGAXUDPKGQV-NRFANRHFSA-N 470.599 2.090 30 10 JEEE C#CCCN1CCC(NC(=O)CNS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 1586802252 FFAFFBLKEWINRW-UHFFFAOYSA-N 451.898 2.241 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1ccccc1)N(CC)CC 1587641082 XDQLIWMWFJMRAD-KSEOMHKRSA-N 488.658 2.152 30 10 JEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CCN1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 1588034381 FFIYZLWLPGYTBV-HXUWFJFHSA-N 460.003 2.487 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@@](C)(O)c1ccco1)[C@H]1CCS(=O)(=O)C1 1588059070 IVEQMLCKXNYBOR-GBXCKJPGSA-N 468.579 2.305 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CCC1(COC)CCC1)[C@H]1CCS(=O)(=O)C1 1588064441 IFFPHYRRXFJFDS-FQEVSTJZSA-N 457.600 2.097 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1nnc(C(C)(C)C)s1)[C@@H]1CCS(=O)(=O)C1 1588064730 OBBYRPVIICPIEP-QGZVFWFLSA-N 485.639 2.088 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2CCCCN2CCC)CC1 1588749751 AEBZPPKEXCORDZ-DHLKQENFSA-N 458.651 2.338 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2ccc(-n3nc(C)cc3C)nc2)CC1 1588752786 VTKHQVPBUXRPCQ-OAQYLSRUSA-N 478.601 2.003 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N1CCN(C(=O)N(CC)CC)CC1 1595516774 IMKNOHLJFQOSKO-UHFFFAOYSA-N 476.585 2.379 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCN(c2ccc(F)cn2)CC1 1595812047 LPRLTAHJJPZOIY-UHFFFAOYSA-N 488.564 2.470 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2cccc(C)c2C)n1Cc1ccn(C)n1)[C@@H]1CCS(=O)(=O)C1 1689979443 BETDAYSWXCKFCG-TZIWHRDSSA-N 482.610 2.443 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1CCN1CCOC(C)(C)C1 1690092784 VVRHZWRNSLQEOD-UHFFFAOYSA-N 468.577 2.290 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ncnn2C(C)(C)C)CC1 1690140203 PVWKWLLLJWSOFO-UHFFFAOYSA-N 481.992 2.354 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2CC(=O)NCCC)CC1 1690144176 OFWAOYYQNNIFBW-UHFFFAOYSA-N 475.553 2.092 30 10 JEEE C#CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCCN(C(C)=O)CC1 1690170621 OCQIPEXYXALQSD-UHFFFAOYSA-N 479.610 2.100 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccc2OC)nnc1N1CCN(CC(=O)NCC)CC1 1690244520 YKWHRKBUNZRWKV-WMZHIEFXSA-N 468.602 2.193 30 10 JEEE C=C(Cl)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1690351541 WQEURYJKJQCGBU-HOCLYGCPSA-N 450.996 2.179 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 1690667916 MJRRWFRWZHQLPB-HNNXBMFYSA-N 468.949 2.479 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(Cc2cc(C)ccc2OC)CC1 1690668208 WSTIFKMYCATSHI-UHFFFAOYSA-N 461.570 2.282 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(NC(=O)N(C)C)cc2)C1 1690699482 FTYAMNAHAQDRON-AZUAARDMSA-N 488.614 2.103 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1690725268 KIYDFJRUZCHWRJ-NRFANRHFSA-N 488.589 2.019 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1nnc(C(C)(C)C)s1)[C@@H]1CCS(=O)(=O)C1 1705564741 CLDXAVCSMBFDNP-CQSZACIVSA-N 459.601 2.097 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(F)ccc2Br)n1CCN1CCN(C(C)=O)CC1 1705575548 NWJOHZAZBOERJK-UHFFFAOYSA-N 487.377 2.084 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CCCN1CCCO 1705602758 BUYXVHSIXDXZTR-BHIFYINESA-N 484.645 2.359 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1CCOCC1 1705628210 AFNLTKOAJGJHGV-LJQANCHMSA-N 463.579 2.099 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CC2(N(C)C)CCC2)CC1 1705634502 YQACQSJEJIQXAT-UHFFFAOYSA-N 468.602 2.210 30 10 JEEE C=CCCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2ccc(Cl)nc2C1 1705825057 IBVJKMJWCCRHII-CQSZACIVSA-N 454.984 2.092 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1705895469 HYECPMKOBHMAFD-CXAGYDPISA-N 469.464 2.421 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2c(ccnc2O)C1 1705912835 VTALYEFCJNPNIJ-MRXNPFEDSA-N 484.582 2.165 30 10 JEEE C=CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1705945693 PNFLPNOAPFSKEY-YADHBBJMSA-N 478.707 2.323 30 10 JEEE C=CCSCCn1c(Cc2ccccc2F)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1705947175 CKRCRPQMNWRSOL-INIZCTEOSA-N 453.609 2.397 30 10 JEEE Cc1cc(C)n(Cc2nnc(N(C)C[C@H](C)C#N)n2Cc2ccc(CS(C)(=O)=O)cc2)n1 1707813926 BYVMKDXUGPFGCA-MRXNPFEDSA-N 455.588 2.329 30 10 JEEE CCC[C@@H](C)C(=O)NCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1709457817 CANFKXIWLNOHQR-NQIIRXRSSA-N 481.601 2.418 30 10 JEEE CCOc1c(Cl)cc(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C#N)C2)cc1OC 1710498289 AOEOCLQTSOVUKY-INIZCTEOSA-N 474.949 2.238 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@H](C)N(C)C2CC2)c1 1722307098 YTHRXVFJWFCFPC-SFHVURJKSA-N 463.586 2.053 30 10 JEEE C#CCN(c1nnc(-c2cnn(-c3ccccc3)c2)n1CCOCC(F)F)[C@@H]1CCS(=O)(=O)C1 1722362746 VZPLIMOXOOCXMN-LJQANCHMSA-N 490.536 2.039 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@]1(O)CCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1722365161 LACGJFHWOPCXGH-ZILOHOTNSA-N 456.612 2.355 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CC1(C)CCCC1)[C@H]1CCS(=O)(=O)C1 1722365412 NVKKFTHDEFEBOY-AVRDEDQJSA-N 450.605 2.137 30 10 JEEE C#CCN(c1nnc(C2CCCC2)n1Cc1ccc(CS(C)(=O)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1722365661 DWOQFVXZMWRBQK-OAQYLSRUSA-N 490.651 2.155 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@](C)(O)c2ccco2)CC1 1722450514 KVSLURLKBUFREV-AREMUKBSSA-N 493.564 2.332 30 10 JEEE C#CCSCCn1c(Cc2ccccc2F)nnc1N1CCC(NS(=O)(=O)CC)CC1 1722460426 GREOWMVSFATIJZ-UHFFFAOYSA-N 465.620 2.283 30 10 JEEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1722533778 AOJRGUNROGXZTB-HXUWFJFHSA-N 451.618 2.242 30 10 JEEE C=C(Cl)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1722545519 HVPWNSJQYDNHCV-NVXWUHKLSA-N 469.995 2.188 30 10 JEEE C=CC[C@@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](OC)C1)c1ccccc1 1722598087 ZHRFTNPXDAORNV-PWRODBHTSA-N 475.615 2.196 30 10 JEEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1722603250 HJMCJBXWPKDMMF-PZJWPPBQSA-N 480.679 2.278 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccc(CN3CCO[C@H](C)C3)c2)C1 1722708673 BBAXUTFQODHZPW-OFNKIYASSA-N 482.629 2.467 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H]2CCCN(C(C)=O)C2)C1 1722711148 SDYLDIHJGXKZCD-YZUZCNPQSA-N 461.607 2.359 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCOC[C@H]2C)C1 1722721107 CMUZNZNXGSDVPM-DENIHFKCSA-N 452.559 2.231 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](C)C1 1722751754 UDHQJOBPVUVJKO-INIZCTEOSA-N 452.602 2.186 30 10 JEEE Cn1nncc1Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC(C#N)CC1 1729606146 BFLDVZZJIJOYJK-KRWDZBQOSA-N 455.567 2.309 30 10 JEEE Cn1nncc1Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC(C#N)CC1 1729606147 BFLDVZZJIJOYJK-QGZVFWFLSA-N 455.567 2.309 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@H](C)COC)[C@@H]1CCS(=O)(=O)C1 1740617231 ODWSQWGGGWBKDR-FGTMMUONSA-N 464.563 2.466 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H]1CCC[C@H]1OC)[C@H]1CCS(=O)(=O)C1 1740620744 RFPXWGIWKQEAFE-BBTUJRGHSA-N 488.610 2.404 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1ccc(C)cc1F)[C@H]1CCS(=O)(=O)C1 1740627186 ZAYFXMPZFYDQPP-FQEVSTJZSA-N 453.543 2.386 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCCC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1740627760 SHGYZABMCVYCPB-VQTJNVASSA-N 450.605 2.353 30 10 JEEE C#CCN(CC#C)c1nnc(CSc2ccccc2OC)n1C[C@H]1CCCN1S(C)(=O)=O 1740645030 CQPZPBLAKZSNGT-GOSISDBHSA-N 473.624 2.076 30 10 JEEE C#CCN(CC)c1nnc(-c2cc(OC)ccc2Br)n1CC1(C(N)=O)CCOCC1 1740664617 XCDITPRKCOHXKJ-UHFFFAOYSA-N 476.375 2.458 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@](C)(O)c2ccco2)CC1 1740704398 ORINKHQGJREHSK-RUZDIDTESA-N 458.522 2.283 30 10 JEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(CSC)cc1 1740899807 PDOWZHKCFZZQLF-GOSISDBHSA-N 451.618 2.145 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCSCc1ccc(C)cc1 1740900706 WSFLEHXEHBYDAS-IBGZPJMESA-N 465.645 2.475 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N(C)Cc1ccc(C(=O)NC2CC2)cc1 1740958237 LUYWDAXEGPQJCC-FQEVSTJZSA-N 452.559 2.351 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCS[C@@H](CC)C1 1740959768 DTPXFWIUMZEPRY-DLBZAZTESA-N 480.635 2.221 30 10 JEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)c2ccc(C)cc2)CC1 1740962364 ZTUNVSWMEIJZPF-UHFFFAOYSA-N 479.610 2.207 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCc2c(ccnc2N(C)C)C1 1740990474 AUEJAOYLHZUMIL-LJQANCHMSA-N 460.604 2.144 30 10 JEEE CC(=O)NC[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cc(C)nn2C)C1 1741097370 DEQHKYIUBYXJFL-FQEVSTJZSA-N 462.558 2.172 30 10 JEEE CC(C)NC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1741702674 DSOBBVABBDOKOS-LJQANCHMSA-N 481.601 2.384 30 10 JEEE C[C@H](Oc1ccccc1F)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H](C)CN1CCOCC1 1741876728 GQYKRDJXFROLQI-CEXWTWQISA-N 458.538 2.254 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@@H]1CCN(CCC)C1)[C@H]1CCS(=O)(=O)C1 1748808294 JKXRMNNXMGHUJF-CTNGQTDRSA-N 471.627 2.312 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H](C)c1ncc(C)s1)[C@@H]1CCS(=O)(=O)C1 1748815742 TTWPMWISFSTTPP-KBAYOESNSA-N 463.629 2.367 30 10 JEEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1749049668 NVNONQWNANGBQA-GHDARCQNSA-N 450.605 2.143 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCS(=O)(=O)C1 1749531866 PICDBFXYPHTPCU-IBGZPJMESA-N 451.556 2.178 30 10 JEEE C=CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H]1CCCN(C(C)=O)C1 1749597414 FXGOSTWVHREJSG-SFHVURJKSA-N 465.558 2.491 30 10 JEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1cccs1)C[C@@H]1CCCO1 1749630315 QNJTVYYMGNHERG-FUHWJXTLSA-N 467.617 2.044 30 10 JEEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(C)[C@H](C)CCc1ccc(O)cc1 1749667239 VMAJXYWJHGNNFV-MRXNPFEDSA-N 466.542 2.471 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N(C)C[C@H]1CN(CC)c2ccccc2O1 1749741043 NPSIFQYVVIRHGQ-GHTZIAJQSA-N 475.615 2.454 30 10 JEEE Cc1cccc2c(CCn3c([C@H]4CN(S(C)(=O)=O)CCO4)nnc3N(C)[C@H](C)CC#N)c[nH]c12 1751657335 DHGFQMDCSXCGTH-YLJYHZDGSA-N 485.614 2.382 30 10 JEEE Cc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CCn1cc(Br)cn1 1751933869 FSRIOEXIGUANKW-UHFFFAOYSA-N 455.364 2.440 30 10 JEEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(COCC(F)(F)F)cc1 1760176113 ZDKZQHNVTYJEJF-QGZVFWFLSA-N 456.490 2.377 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@@H]1CCC[C@H](O)C1)[C@H]1CCS(=O)(=O)C1 1760187914 YSSIAYHQORRWMN-HJNYFJLDSA-N 456.612 2.355 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1Cc1cnccc1OC)[C@@H]1CCS(=O)(=O)C1 1760192049 PXVSULYUEZCFMA-OAQYLSRUSA-N 465.579 2.142 30 10 JEEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccccc1CN1CC[C@H](O)C1 1760196086 KMFCVKOQRZPXHE-RPLLCQBOSA-N 477.609 2.006 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCNc1ccc(C(F)(F)F)cn1 1760206196 TUNAQVHUFIJOCJ-INIZCTEOSA-N 480.516 2.169 30 10 JEEE C#CCN(CC#CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1nnc(C)s1 1760221876 ODAVQDXGLGKBFQ-UHFFFAOYSA-N 474.638 2.314 30 10 JEEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1760359175 HMHSXVDEDVDWQS-XUZZJYLKSA-N 481.645 2.236 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1COC(C)(C)OC1 1760411490 AMWIDOCVNVTJAP-GOSISDBHSA-N 485.651 2.049 30 10 JEEE C=CCCCCn1c(COCC)nnc1N1C[C@@H]2[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1760429519 GBTUJIYQDBCHIQ-FGTMMUONSA-N 483.635 2.297 30 10 JEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H](C)N1CCCCC1)C1CC1 1760477229 TXMRZZFURULFMS-UYAOXDASSA-N 466.652 2.030 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc(C(F)(F)F)cc2)CC1 1760515219 RVPWIVWEUMDADH-UHFFFAOYSA-N 491.518 2.162 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(CC)CC1 1760517262 HXXNMVJLNYYFGJ-UHFFFAOYSA-N 460.604 2.124 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3nn(CCC)c(=O)c4ccccc34)n2CC(=O)N(C)CC)C1 1760545101 NMELCTPZMUAXPT-GOSISDBHSA-N 479.585 2.325 30 10 JEEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H](C)[C@H](C)C1 1760557776 WCYHAONCXJJDNV-HZPDHXFCSA-N 451.618 2.353 30 10 JEEE CCOc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1CN(CC(C)C)CCO1 1766089590 GNGMOHHNVGVJIM-LEWJYISDSA-N 484.601 2.341 30 10 JEEE CCO[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CC#N)c1ccccc1 1767375241 BUSOYCWGNZDMDV-DFQSSKMNSA-N 476.603 2.127 30 10 JEEE CS(=O)(=O)CCCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1771354157 HQRNVWZKEIPFMX-FQEVSTJZSA-N 476.578 2.292 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 1772566422 BMUDIHPUCOHYRI-SJORKVTESA-N 478.475 2.128 30 10 JEEE N#Cc1ccccc1S(=O)(=O)Nc1ccc(N2CCN(S(=O)(=O)c3cccs3)CC2)nc1 1858449785 RPXNPMAOWAKKBL-UHFFFAOYSA-N 489.604 2.326 30 10 JEEE COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2C[C@H](C)O)cc(OC)c1OC 1862612086 APGXHXARRBLUST-YEJXKQKISA-N 485.489 2.443 30 10 JEEE C=CCOc1ccccc1OCC(=O)Nc1nc(N2CCCCC2)nn1[C@H]1CCS(=O)(=O)C1 1870049482 XNWDBCIRPZEEGH-KRWDZBQOSA-N 475.571 2.210 30 10 JEEE C=CCn1cc(OCC(=O)Nc2ccc(C(=O)OCC)cc2)c(=O)cc1CSc1nnnn1C 1870198395 GNWBAQBTWYEUQR-UHFFFAOYSA-N 484.538 2.044 30 10 JEEE C=CCn1cc(OCC(=O)Nc2ccc(Cl)cc2)c(=O)cc1CN1CCN(C(C)=O)CC1 1870650275 ZLFWJESSUDKRCY-UHFFFAOYSA-N 458.946 2.369 30 10 JEEE C=CCN(CC=C)c1nc(=NCCN2CCOCC2)[nH]c(=Nc2ccc(OCC)c(OCC)c2)[nH]1 1871597137 PPRPKOXWEKYMAR-UHFFFAOYSA-N 483.617 2.179 30 10 JEEE C=CCN(CC=C)c1nc(=NCCCn2ccnc2)[nH]c(=Nc2cc(OC)cc(OC)c2)[nH]1 1871690263 PCWVXDLVZGQJAE-UHFFFAOYSA-N 450.547 2.353 30 10 JEEE CCc1nc([C@H](C#N)C(=O)CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)sc1C(=O)OC 1872796243 RJBKWWSKLYXCBZ-MRXNPFEDSA-N 457.512 2.399 30 10 JEEE CCN(CC)C(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1ccc(O)c(O)c1 1874335025 FBUTYNLMQIBNFG-BRUSPLQXSA-N 474.587 2.256 30 10 JEEE COc1cc(Cn2cccc(C(=O)N3CC[C@H](Oc4cc(C#N)ccn4)C3)c2=O)cc(OC)c1 1890084408 RLOHVUQXVVSXQR-IBGZPJMESA-N 460.490 2.474 30 10 JEEE COc1ccc(-c2ccc(=O)n([C@@H](C)C(=O)N3CCC(COc4nccnc4C#N)CC3)n2)cc1 1891588849 YNIOCWJPRSIKKI-KRWDZBQOSA-N 474.521 2.459 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCOC[C@@H]1CC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2180985633 RRQCYHFEUFMEPO-GOEBONIOSA-N 462.356 2.034 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCN(S(=O)(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2255752715 KWWTYGKQBUWYNH-MRXNPFEDSA-N 452.382 2.274 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2C(NS(=O)(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)s3)[C@H]2C1 2255774300 QFFCYLCVQBBJBS-STQMWFEESA-N 470.422 2.191 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]1NS(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2255950010 FODPSXDDVMWSKY-CVEARBPZSA-N 452.382 2.320 30 10 JEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)CCN1C(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2266992216 QHIRGYCBPFHGOZ-UHFFFAOYSA-N 486.421 2.070 30 10 JEEE CC(C)(C)OC(=O)NCCCONS(=O)(=O)Cc1ccccc1B1OC(C)(C)C(C)(C)O1 2267412052 HOAXDJVKIGBMBN-UHFFFAOYSA-N 470.397 2.252 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1CCN1S(=O)(=O)c1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2267467301 MYRJXIKPRQANRV-CQSZACIVSA-N 470.372 2.413 30 10 JEEE Cc1nc(S(=O)(=O)N(Cc2ccccc2)[C@H]2CCOC2)c(B2OC(C)(C)C(C)(C)O2)n1C 2267474102 PAJPMBTWHIYQKP-SFHVURJKSA-N 461.393 2.008 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](NC(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)CCO1 2267561321 NYCVBETXPGNKJA-GJZGRUSLSA-N 450.341 2.381 30 10 JEEE CC1(C)OB(c2csc(S(=O)(=O)N3CCC(CNC(=O)C(F)(F)F)CC3)c2)OC1(C)C 2267711638 NXWQJONHBXWQBN-UHFFFAOYSA-N 482.355 2.127 30 10 JEEE CC(C)(C)OC(=O)N[C@]1(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C[C@@H]2CCC[C@@H]21 2272679892 MIZPUDLISFCBJL-OYMPBJRDSA-N 464.397 2.281 30 10 JEEE Cc1c(C(=O)N[C@@H]2CCOC[C@H]2OCc2ccccc2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281798792 MOXOANKTDSXHRQ-RTBURBONSA-N 455.364 2.132 30 10 JEEE CC(C)n1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H]1COC[C@H]1NC(=O)OC(C)(C)C 2281814725 MZACYDFHZQCVCP-DLBZAZTESA-N 463.384 2.390 30 10 JEEE Cn1nc(C(=O)N2C[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@H]3C2)cc1B1OC(C)(C)C(C)(C)O1 2281961519 NKKXLIGVNBRUEZ-HOTGVXAUSA-N 460.384 2.048 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2CN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)C[C@@H]2C1 2281985366 JFRTVVNROICTHB-OWCLPIDISA-N 460.384 2.474 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CN(C(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)CC[C@H]1CO 2282180610 VPOCJVJNIMXRQC-HKUYNNGSSA-N 460.380 2.334 30 10 JEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1 2282310766 YNOOJIKUFLKHOU-QHCPKHFHSA-N 492.472 2.271 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@H](O)CN(C(=O)c2c(F)cccc2B2OC(C)(C)C(C)(C)O2)C1 2282467189 IPXCJYXEPKBDEC-GJZGRUSLSA-N 464.343 2.225 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CC[C@H]2CC[C@H]1N2C(=O)OC(C)(C)C 2282486688 ZQHCAZWFHONXKR-USXIJHARSA-N 460.384 2.380 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](CNC(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)CO1 2282523932 FJUXYOXJHBDYCF-JKSUJKDBSA-N 461.368 2.040 30 10 JEEE CCc1nc(C(=O)N[C@H]2COC[C@H]2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2282526793 UNJIMGXWTDRZBG-KGLIPLIRSA-N 481.424 2.274 30 10 JEEE C[C@H]1C[C@@H](NC(=O)C(F)(F)F)CCN1C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2282534619 VPXVHIUQORJVNK-AAEUAGOBSA-N 459.249 2.192 30 10 JEEE Cn1nc(C(=O)N2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2282554062 XXOIHQSPKKUHJY-ZIAGYGMSSA-N 480.802 2.454 30 10 JEEE Cn1nc(C(=O)N2C[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)cc1B1OC(C)(C)C(C)(C)O1 2282596933 DOESOVGVXXETTQ-VQTJNVASSA-N 450.392 2.313 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](CO)[C@@H](NC(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2282654191 IRFSHRQFVPNFRC-LPHOPBHVSA-N 460.380 2.334 30 10 JEEE C[C@H]1CN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C[C@@H](C)CN1C(=O)OC(C)(C)C 2282676282 JLOZVZVQYNQUNM-CVEARBPZSA-N 460.384 2.493 30 10 JEEE C[C@H]1CN(Cc2ccccc2)C[C@@H](C)CN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282700931 UMNVZSZWPGFMMH-MSOLQXFVSA-N 453.396 2.097 30 10 JEEE CC(C)(C)OC(=O)N[C@]12C[C@@H]1CN(S(=O)(=O)Cc1cccc(B3OC(C)(C)C(C)(C)O3)c1)C2 2282845234 PDSKKBZJVGQVLE-HXOBKFHXSA-N 478.420 2.415 30 10 JEEE Cc1nc(NC(=O)c2cc(NC(=O)OC(C)(C)C)n(C)n2)ncc1B1OC(C)(C)C(C)(C)O1 2283987740 ZQWTZHZNMPFWNX-UHFFFAOYSA-N 458.328 2.417 30 10 JEEE CC(C)(C)OC(=O)N1CCn2ncc(C(=O)NCc3ncc(B4OC(C)(C)C(C)(C)O4)s3)c21 2284068499 FDPZYTXFXFLHEE-UHFFFAOYSA-N 475.380 2.324 30 10 JEEE CC(C)(C)OC(=O)N[C@]1(C(=O)NCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2F)C[C@H](O)C1 2285155552 IEXXQMQFXBEICQ-PAVFIEEWSA-N 464.343 2.159 30 10 JEEE CN(CCN(C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C)C(=O)OCc1ccccc1 2300233722 SKEQWDFXHSNDKQ-UHFFFAOYSA-N 456.352 2.060 30 10 JEEE CCCn1c(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 2314460006 RBNQZKRGWGZTFG-STQMWFEESA-N 490.607 2.338 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2C[C@@H](NC(=O)OCc3ccccc3)C2)n1C 2315516043 RLVCGJPCNQPLPH-HDICACEKSA-N 468.363 2.215 30 10 JEEE CC(=NNc1nc2c(c(O)nc(=O)n2C)n1C[C@H](O)COc1ccc(C)cc1)c1ccc(O)cc1 2327754091 MLCYGLNOANUNRR-SFHVURJKSA-N 478.509 2.126 30 10 JEEE Cn1cc(C(=O)N[C@H]2C[C@@H]3C[C@H]2CN(C(=O)OC(C)(C)C)C3)nc1B1OC(C)(C)C(C)(C)O1 2359267085 ODMWRBBEGVZXLH-JYJNAYRXSA-N 460.384 2.095 30 10 JEEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(B3OC(C)(C)C(C)(C)O3)n[nH]1)[C@@H]2F 2359268013 OUVZZACCCPNZHQ-RMRKRWHISA-N 464.347 2.317 30 10 JEEE Cn1ncc(C(=O)N2C[C@@H]3C[C@H]2C[C@H](NC(=O)OC(C)(C)C)C3)c1B1OC(C)(C)C(C)(C)O1 2359277450 RZEDKUOWJDIUHX-XHSDSOJGSA-N 460.384 2.237 30 10 JEEE COC(=O)c1[nH]c(C)c(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccc(OC)c2)c1C 103102935 FYPGGNXBANVSNM-LAGVDGIJSA-N 497.548 2.181 30 10 JEEE COCCNC(=O)c1c(N)n(N=Cc2cc(OC)c(OC)c(OC)c2)c2nc3ccccc3nc12 254626448 JKTGETRXPKHAJQ-UHFFFAOYSA-N 478.509 2.451 30 10 JEEE CCCN1C(=O)C(=NOCC(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)c2ccccc21 254741605 CIJUOXOYDYLQPY-UHFFFAOYSA-N 453.451 2.376 30 10 JEEE CCOc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)NC3CCN(CC#N)CC3)cc2)cc1 609329748 AWZBBGBYLLLILZ-UHFFFAOYSA-N 486.594 2.393 30 10 JEEE C#CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(CCOC)CC(=O)O 757282473 YBKKCTYIXZBOAU-JOCHJYFZSA-N 450.491 2.477 30 10 JEEE C#CCNS(=O)(=O)c1cccc(C(=O)O[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)c1 857836000 DWFDDSOJPRXOHU-CYBMUJFWSA-N 457.533 2.204 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)N[C@H]3CN(c4ccc(Br)cc4)C3=O)cc2C1=O 1141754671 UZUTUHYGAYHPRG-KRWDZBQOSA-N 454.280 2.376 30 10 JEEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)c1ccccc1Cn1cncn1 1213711746 NCZMXRBIXKMEIE-UHFFFAOYSA-N 459.572 2.350 30 10 JEEE C#CCCCn1c(N2CCN(CC(=O)N3CCCC[C@H]3C)CC2)nnc1[C@]1(OC(C)C)CCOC1 1286359893 MKFBNDDPMDYBPU-GJZUVCINSA-N 486.661 2.255 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(OCC)CCCC1)[C@@H]1CCS(=O)(=O)C1 1286384096 PICWOIBTYHXBEW-YKSBVNFPSA-N 494.658 2.295 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCc1ccc(NC(C)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1286389444 KEBPRGKQFDXLMB-JOCHJYFZSA-N 492.605 2.476 30 10 JEEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccccc1C1OCCO1 1286401557 RRGCSZPJFLJWCL-VWLOTQADSA-N 450.539 2.485 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@H](C)CN1CCN(CC)CC1 1286408542 CVHISRNCWLUGOO-XUZZJYLKSA-N 462.598 2.137 30 10 JEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N(C)C[C@@H](c1cccs1)N1CCOCC1 1286493887 HKQCEMYEKVXPFV-IBGZPJMESA-N 488.683 2.452 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2C[C@H]2CN(CC(C)C)CCO2)CC1 1286494937 WIJTYSPESLCQAH-RUZDIDTESA-N 492.668 2.386 30 10 JEEE C=CCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1286707937 LFONPKZGUNHNJV-FDDCHVKYSA-N 476.599 2.326 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](c2cccc(Br)c2)C1 1286787896 LLCKGHVQIUAZPO-AEFFLSMTSA-N 476.375 2.425 30 10 JEEE CC1(C)CCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1289003324 FQZOTMJJGFKGPV-QZTJIDSGSA-N 450.609 2.177 30 10 JEEE C#CCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC1CCN(CCN(C)C)CC1 1300432000 AFRAYIPUDOXNGP-UHFFFAOYSA-N 451.619 2.490 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CCc1c(OC)cc(OC)cc1OC 1300554065 ZCRCMHCQHVIHFU-UHFFFAOYSA-N 465.554 2.246 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2CCc2c(C)noc2C)CC1 1300710591 HWWXITMMNBKECE-UHFFFAOYSA-N 469.590 2.010 30 10 JEEE C=C(Br)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(C(=O)OC)CC1 1300843688 DQMAZCDQMRQXBA-UHFFFAOYSA-N 498.407 2.035 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1301485661 ZWIYDLAFNYHRSA-CABCVRRESA-N 462.304 2.124 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CC[C@@](C)(C(N)=O)C1 1301490032 JOUXKPSXTBNRKC-XMMPIXPASA-N 464.526 2.121 30 10 JEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 1301509893 PFMFBCQVMMJWCB-UHFFFAOYSA-N 486.621 2.183 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2nc3c(s2)CCCC3)C1 1301537848 DOUJJTQXUXFRSD-JKSUJKDBSA-N 480.660 2.248 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCN(CC)[C@@H](C)C1 1301575872 LSQWIGOEYWVTLV-SFHVURJKSA-N 469.615 2.466 30 10 JEEE CS[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1302565598 FJVINUFPXDTSCG-PKOBYXMFSA-N 490.655 2.485 30 10 JEEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2CCCC2)CCN1S(C)(=O)=O 1302898414 DSOHZSZSFMBWNL-KRWDZBQOSA-N 458.588 2.389 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2=O)C1 1312616868 PCQPWMWTPXVKGV-BJLQDIEVSA-N 450.580 2.221 30 10 JEEE CC(C)(C)OC(=O)NC1(CNC(=O)N2CCO[C@@H](C#N)C2)CCN(Cc2ccccc2)CC1 1312850699 CZPSZNBAMSHDGA-FQEVSTJZSA-N 457.575 2.480 30 10 JEEE CNC(=O)CC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCc2nc(C)no2)CC1 1315023364 FUIZCJSMSKGLBU-UHFFFAOYSA-N 478.557 2.406 30 10 JEEE C=CCCn1cc(C(=O)N(CCC(C)C)c2c(O)nc(=O)n(Cc3ccccc3)c2N)nn1 1350590938 OWLMIIOVBNGGIG-UHFFFAOYSA-N 451.531 2.440 30 10 JEEE N#Cc1ccc(N2CCC(NC(=O)c3cc(Cn4cc(Br)cn4)on3)CC2)nc1 1358079569 IDTNSRXBIPIXOW-UHFFFAOYSA-N 456.304 2.347 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1358967018 BMTOJGVQGFIVNP-BSRJHKFKSA-N 495.646 2.138 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1CCc1nnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1358967679 PXNMKLSBELATPL-MRXNPFEDSA-N 490.586 2.026 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC1(C(N)=O)CCCC1 1358972069 RYBAGXHOXXMXII-UHFFFAOYSA-N 451.527 2.089 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1C[C@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1358978286 IJGJQDPYMNYJIW-IVAOSVALSA-N 469.586 2.269 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCO[C@@H]1c1ccccc1 1358978565 PIUKYDHEDFLWIK-YPAWHYETSA-N 452.580 2.421 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccn3C)n2C[C@@]2(O)CCC[C@@H]2C)n1 1359027627 PQXYLOSATYYVLH-CYFREDJKSA-N 451.575 2.317 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2Cc2conc2COC)CC1 1359045884 XCCYNZSDAAUACU-UHFFFAOYSA-N 484.507 2.296 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H](C)c2nccs2)CC1 1359048488 SCKXSYHFQINCJQ-NEWSRXKRSA-N 472.615 2.228 30 10 JEEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1359054823 JCPBMSFHEBVGEF-UHFFFAOYSA-N 450.528 2.336 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](CC(C)C)C1 1359099520 PJFPTVPKTJKCFR-WOZUAGRISA-N 481.663 2.465 30 10 JEEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1359128229 NNSKFCMXGSVXBJ-FQEVSTJZSA-N 470.599 2.118 30 10 JEEE C=CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCN(C(=O)COC)CC1 1359213793 GZKNVDMQOYKCMP-UHFFFAOYSA-N 479.585 2.326 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(Cl)cccc1OC 1359272194 NGXJZWQDKTUEOL-LJQANCHMSA-N 482.006 2.500 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCN(C(C)=O)C[C@H]1C 1359295692 LAIKPYJMICVXTB-CQSZACIVSA-N 491.390 2.075 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(c2nccs2)CC1 1359326517 BWBQXPPQEBXMDR-UHFFFAOYSA-N 487.611 2.367 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N(C)C[C@@H](C)C#N 1359328008 QPATXZJRZYPFLD-ZDUSSCGKSA-N 455.382 2.243 30 10 JEEE CC(C)(C)[S@](=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1359588977 CCYVPEYAEQWZHB-UXARDOKJSA-N 470.599 2.226 30 10 JEEE Cc1ccc(CNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)c(OC[C@@H]2CCOC2)c1 1445565632 GRSFVAKWKFTECI-QGZVFWFLSA-N 457.552 2.155 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2nnc3ccc(Br)cn23)ccc1F 1468163232 RSTDQGRRDRXTFA-UHFFFAOYSA-N 454.281 2.348 30 10 JEEE Cc1nc(C)c(CCn2c(COc3ccc(C#N)cc3)nnc2N(C)CC(=O)N2CCOCC2)s1 1492656722 FFSOURAMRHCIQN-UHFFFAOYSA-N 495.609 2.340 30 10 JEEE CC1CCC(N2CCN(c3nnc(-c4cccc(C#N)c4)n3CCNS(C)(=O)=O)CC2)CC1 1493479066 CQZGWMJOGSUKCU-UHFFFAOYSA-N 471.631 2.067 30 10 JEEE CN(C)CCOc1ccc(CCn2c(CN3CCCC3=O)nnc2N2CC[C@@](F)(C#N)C2)cc1 1503400932 DXRCLGHGKXPXNR-XMMPIXPASA-N 469.565 2.026 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)Nc3ccccn3)n2C[C@@](C)(O)c2ccco2)c1 1507547149 JWYMXTYKOPVGAM-AREMUKBSSA-N 499.531 2.482 30 10 JEEE C#CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1507591475 LLQBYSRGXNRJCB-GOSISDBHSA-N 499.616 2.327 30 10 JEEE C#CCN(c1nnc(C(C)C)n1CCc1c(OC)cc(OC)cc1OC)[C@H]1CCS(=O)(=O)C1 1507623902 YWKJCFKVCWXPOA-KRWDZBQOSA-N 476.599 2.297 30 10 JEEE C#CCN(c1nnc(COCC)n1Cc1ccc(CN2CCCCC2)cc1)[C@@H]1CCS(=O)(=O)C1 1507638146 PAGBXGDEUKQZNB-HSZRJFAPSA-N 485.654 2.476 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H]2OCCC2(C)C)CC1 1507737104 YCKVKWPGYLLNLN-NBGIEHNGSA-N 473.618 2.100 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3COc4ccccc4O3)n2C[C@H](CC)OC)CC1 1507737986 FLJHLBSKNDSTCH-GHTZIAJQSA-N 453.543 2.181 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CCO[C@@H]1C 1508008628 PTJNORGHHTYOIR-RADWXHQJSA-N 464.563 2.052 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(N(C)C)CCOCC1 1508033543 NQCHBWPJTPIXOD-LJQANCHMSA-N 477.631 2.119 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CC[C@@H](OCCOC)C1 1508071716 DEVYSYODGBPFIH-GOSISDBHSA-N 450.543 2.346 30 10 JEEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N(C)CCN1CCN(c2ccccc2)CC1 1508089167 DWDDAAKAKUHDMS-UHFFFAOYSA-N 453.635 2.427 30 10 JEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(NC(=O)c2ccccc2C)CC1 1508094043 YOAVWYPBJMCFLR-UHFFFAOYSA-N 490.612 2.149 30 10 JEEE C#CCNC(=O)C1CCN(C(=O)CSc2nnc(-c3ccco3)n2Cc2ccco2)CC1 1519096786 YCRCNFFAYSPISR-UHFFFAOYSA-N 453.524 2.260 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1539203776 VCHOAIVTMKYYMN-JOCHJYFZSA-N 498.653 2.260 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1Cc1oc(CC)nc1C)[C@H]1CCS(=O)(=O)C1 1539224984 KZECRMMXSMOFTE-IBGZPJMESA-N 483.594 2.411 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@]1(C)COCCO1 1539264228 XZGUYEAUVVVAJH-NTKDMRAZSA-N 457.575 2.271 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCC[C@H](O)C1 1539266643 RICJLVXDEHDDQK-AABGKKOBSA-N 457.575 2.210 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@]1(C)CN(C)C1=O 1539324694 XKRYVQUTEZIJCU-CLOONOSVSA-N 468.602 2.334 30 10 JEEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1CCCN(C(C)=O)C1 1539347531 WFLNDHNWYYEKBC-IBGZPJMESA-N 471.631 2.265 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3CC)n2CCNC(=O)C(C)(C)C)CC1 1539461507 GSXWNEDNJVSVAV-UHFFFAOYSA-N 452.603 2.337 30 10 JEEE C#CCSCCn1c(-c2ccc(OC)cc2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1539505337 AUFOJBFPLCFWCA-CVDCTZTESA-N 482.654 2.309 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)OCCCO2 1539538421 HNGRJTRPCCMDKQ-KSFYIVLOSA-N 459.572 2.090 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN(C)CCCOC 1539540351 MBXRWZMVWAGWLO-HSZRJFAPSA-N 459.616 2.309 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC)c2)n1CCNS(=O)(=O)Cc1ccon1 1539540383 NFEBLCVPEHWGJM-JOCHJYFZSA-N 470.555 2.053 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)[C@H](C)CC(N)=O 1539628230 OSKAXEHCJNDDDK-SXGZJXTBSA-N 451.531 2.275 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCCCO2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1539752015 ZESQGVHSYWBIBU-HJNYFJLDSA-N 460.623 2.101 30 10 JEEE C=CCCCCn1c(CN2CCCC2=O)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1539973732 CFHRLYSBTATTQS-IFMALSPDSA-N 471.650 2.136 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCCOC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1540186955 JLROURZLEXKQJK-MOPGFXCFSA-N 463.604 2.282 30 10 JEEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCC(c2nc(C)no2)CC1 1540874113 VKVHOVVDMPRQED-UHFFFAOYSA-N 451.531 2.277 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@](C)(OC)C1 1540903188 AHJABAHWEMQDOI-UGKGYDQZSA-N 462.572 2.397 30 10 JEEE C=CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1540912784 CPAWCPIPRGELEH-INIZCTEOSA-N 496.659 2.033 30 10 JEEE CC(C)[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1541299231 BYDSAVKZGHIOGA-SANMLTNESA-N 496.612 2.211 30 10 JEEE C#CCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1587879076 OACJPUGJMWPUAR-LJQANCHMSA-N 462.558 2.419 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1588028822 ACVKALWWDDFWMF-NRFANRHFSA-N 485.610 2.201 30 10 JEEE C#CCN(c1nnc(-c2ccc(OCC)c(OC)c2)n1CC1(O)CCCC1)[C@@H]1CCS(=O)(=O)C1 1588040907 RSYMDPMMEXSPLZ-LJQANCHMSA-N 488.610 2.284 30 10 JEEE C#CCN(c1nnc(-c2ccc(Br)s2)n1C[C@@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1588041153 VJGPRXIFKKWMEK-ZIAGYGMSSA-N 486.461 2.346 30 10 JEEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CCOC[C@H]1OC 1588276046 GIQBUVUGDXCLLV-ZWKOTPCHSA-N 460.604 2.058 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC2([S@](C)=O)CC2)CC1 1588876814 KBWUOIBUYIBOCO-XHVUARLKSA-N 476.647 2.016 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2C[C@H](C2CC2)N(C)C)CC1 1588913321 HEQOUILPZJZGFE-OAQYLSRUSA-N 450.587 2.260 30 10 JEEE C=C(Br)Cn1c(N2C[C@H](C)O[C@]3(CCOC3)C2)nnc1[C@]1(OCC)CCOC1 1589459691 BSHRTKQUCYMQSL-IPELMVKDSA-N 457.369 2.223 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1595490415 QXPBIUUUGZPKRM-MRXNPFEDSA-N 488.346 2.279 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cnccn1 1595658893 MIEJSQXXLUXXOV-GOSISDBHSA-N 454.556 2.220 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](c2cccs2)N2CCOCC2)C1 1595664356 BXGJFFCJXMUKDV-RTBURBONSA-N 474.631 2.333 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](Cc2ccccc2)C1 1595752602 BHBNLBZTHYQXKR-HXUWFJFHSA-N 457.600 2.184 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1596830458 AZYCNFHVQGTQIV-DOTOQJQBSA-N 450.996 2.400 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1596830460 AZYCNFHVQGTQIV-RDJZCZTQSA-N 450.996 2.400 30 10 JEEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)CC(=O)N1CCC(C(=O)OCC)CC1 1611051578 OROLYFMZTDVBKQ-SFHVURJKSA-N 453.580 2.496 30 10 JEEE N#C[C@@]1(F)CCN(c2nnc(C(=O)Nc3ccccn3)n2CCn2cc(Br)cn2)C1 1620345632 GQOAQMWAJZSAKJ-SFHVURJKSA-N 474.298 2.027 30 10 JEEE COc1ccc([C@@H](NC(=O)N2CCN(CCC#N)CC2)c2cccc(S(C)(=O)=O)c2)cc1 1632353609 HYVKLSXMQOOAMA-JOCHJYFZSA-N 456.568 2.429 30 10 JEEE CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCN(C(=O)[C@H](C)Oc2ccc(C)cc2Cl)CC1 1661763835 CVXMFLXIYINXQA-IRXDYDNUSA-N 456.996 2.286 30 10 JEEE COc1cc(NC(=O)NCCn2cnc(C#N)n2)c(C(=O)N2[C@@H](C)CCC[C@H]2C)cc1OC 1672893935 BTLIABBPXFRULC-GASCZTMLSA-N 455.519 2.392 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H](C)COCc1ccccc1)[C@H]1CCS(=O)(=O)C1 1689988390 OBUCLDILICHPOY-FPOVZHCZSA-N 480.594 2.215 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CCCN1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1689992968 RUGPTCXBYPXBFC-QFIPXVFZSA-N 470.643 2.013 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1ccc(C(N)=O)nc1 1690075994 ZKLXSQYMCWHGDO-SFHVURJKSA-N 467.574 2.394 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2C[C@@]2(OC)CCOC2)CC1 1690112397 XFJQSHPXVJEMNW-CPJSRVTESA-N 469.586 2.378 30 10 JEEE C#CCSCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCN(C(=O)NC)CC1 1690159866 PCRXELUBABQCOX-UHFFFAOYSA-N 450.572 2.163 30 10 JEEE C=C(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1690278971 ZOBAGOYOTOMYOO-DYESRHJHSA-N 453.547 2.418 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCCS1(=O)=O 1690574110 OXDRZJWUKUZJRJ-RDJZCZTQSA-N 487.673 2.110 30 10 JEEE COC1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(S(C)(=O)=O)CC2)CCC(C)CC1 1697227751 DPCCLEHJBPNUGS-UHFFFAOYSA-N 472.615 2.494 30 10 JEEE COc1ccc(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)cc1OC(F)F 1697416613 FAFADDVRZPDWEK-CQSZACIVSA-N 498.556 2.481 30 10 JEEE N#C[C@@H]1CN(c2nnc(-c3cccc(Br)c3)n2C[C@H]2CCCN2CCCO)CCO1 1698490586 DPXDADHUXGPTPS-RTBURBONSA-N 475.391 2.283 30 10 JEEE C#CCN(c1nnc(-c2nnc(O)c3ccccc23)n1C[C@](C)(O)[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1705566517 OYCMRFLXFBLVBI-OJLQRUNKSA-N 498.609 2.018 30 10 JEEE C#CCN(c1nnc(COCC)n1Cc1cc(F)ccc1SC)[C@@H]1CCS(=O)(=O)C1 1705568422 NFPZDHMBSXBULM-QGZVFWFLSA-N 452.577 2.351 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1Cc1c(C)nn(C)c1C)[C@H]1CCS(=O)(=O)C1 1705571015 UKJAMXJGFJBQRY-IBGZPJMESA-N 470.574 2.033 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1Cc1c(C)nn(C)c1C)[C@@H]1CCS(=O)(=O)C1 1705571018 UKJAMXJGFJBQRY-LJQANCHMSA-N 470.574 2.033 30 10 JEEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1C[C@H](c1ccc(C)cc1)N1CCOCC1 1705574618 IRHWLJRCGNVUKB-SQHAQQRYSA-N 477.609 2.385 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1705586842 YSAZZCUDAFDKII-GOSISDBHSA-N 466.533 2.360 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(OCC(F)(F)F)nc1 1705598632 NACBUYVUGAGEQM-GOSISDBHSA-N 495.527 2.222 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CC1(C(=O)NCC)CCC1 1705625350 HCSUKFDQTVPMPS-IBGZPJMESA-N 452.534 2.315 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(Cl)c(OC)c2)CC1 1705632623 WPWIXBQRDLVOEW-UHFFFAOYSA-N 465.945 2.391 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2CCN2CCC[C@@H](C)C2)CC1 1705642710 FIOUMNMPLTZBQT-OAQYLSRUSA-N 452.603 2.353 30 10 JEEE C#CCSCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@H](CNC(C)=O)C1 1705655267 JVYRVBIGERMCGR-GOSISDBHSA-N 465.526 2.254 30 10 JEEE C=CCN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1705846648 NMQJBXQWOYYSQR-IRXDYDNUSA-N 478.644 2.096 30 10 JEEE C=CCN(C)c1nnc(COc2ccc(C)cc2)n1CCS(=O)(=O)N1CCSCC1 1705848966 YEOGHTYDWNNQLF-UHFFFAOYSA-N 451.618 2.166 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 1705934927 BDXJATISWLOHAJ-DLBZAZTESA-N 455.625 2.427 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1705936262 MRVDZORURYPTMW-SFHVURJKSA-N 488.589 2.110 30 10 JEEE CS(=O)(=O)NC[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2cccnc2)C1 1712708615 FASVZCKLANDACX-OAQYLSRUSA-N 495.609 2.132 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CN(CC(C)C)CCO1 1722291425 QDMWCZZFQGAEOG-ACRUOGEOSA-N 490.649 2.401 30 10 JEEE C#CCCCn1c(N2CCN(Cc3c(C)nn(C)c3C)CC2)nnc1[C@@]1(OCC)CCOC1 1722340571 CIBQRQUSRCVHBG-XMMPIXPASA-N 455.607 2.016 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1CC[C@@H](C)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 1722361085 KVALJYDEGPXGET-UXHICEINSA-N 456.616 2.231 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1C[C@H]1CC(=O)N(c2ccccc2)C1)[C@H]1CCS(=O)(=O)C1 1722366006 GUUYAWNNCUFJSA-FPOVZHCZSA-N 469.611 2.156 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(OC(F)F)c(F)c1 1722418979 JYKJGZCCXZDGSJ-UHFFFAOYSA-N 451.449 2.389 30 10 JEEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1CCCCN1CC 1722428310 DZPXSYHJKMAQHX-QFIPXVFZSA-N 466.634 2.413 30 10 JEEE C#CCN1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2C[C@H](OC)[C@@H](C)CC)CC1 1722438279 PISYHOXFLHQFLX-UGKGYDQZSA-N 477.613 2.491 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCc2ccc(F)cc2)CC1 1722440183 ADXABFYJSVGYFX-UHFFFAOYSA-N 475.528 2.273 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCc2csc(C(C)C)n2)CC1 1722440402 FTEHEWJCXINTBL-UHFFFAOYSA-N 471.631 2.205 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@H]1NC(=O)CC1(C)C 1722446277 CMTDPGZMUSNKFH-HXUWFJFHSA-N 491.596 2.066 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(CC2CCOCC2)CC1 1722519847 RMVPUAQRBLLEAJ-UHFFFAOYSA-N 488.658 2.320 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC(C)(C)O)C1 1722719053 QBJHECJWZKOCJU-IRXDYDNUSA-N 451.568 2.139 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(Cc2cccc(C)c2)CC1 1722729363 ZLOWBHLCGFVMGX-QFIPXVFZSA-N 473.643 2.404 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1722749623 HKNORQLEOYLORT-UHFFFAOYSA-N 476.603 2.174 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H]2CCC[C@@H]21 1722749664 IHAQYLIWLTZOPZ-LPHOPBHVSA-N 464.613 2.328 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](CC)N2CCCC2)c1 1740564187 DRCAXMPSDWXVPH-IFMALSPDSA-N 498.653 2.111 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1CCc1csc(C(C)(C)C)n1)[C@@H]1CCS(=O)(=O)C1 1740623082 NRIBUQVNVOAUEL-QGZVFWFLSA-N 485.639 2.359 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1740627334 GKSGNVLGEKBTKV-VAMGGRTRSA-N 464.632 2.250 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CCC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1740629048 ZDMNQXFOQRGDHX-LJQANCHMSA-N 458.584 2.097 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(CS(C)(=O)=O)cc1 1740661005 MJGQRRLMONOHEQ-VXKWHMMOSA-N 470.595 2.058 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC1(C)C 1740679063 MSPWOEZMEJYVGA-UYAOXDASSA-N 475.590 2.436 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H](C)N(C)c2ccccc2)CC1 1740693462 ZALUIYVQCSKNLC-BWKNWUBXSA-N 452.603 2.210 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(OCC(N)=O)CC1 1740763981 SKURMJZGVPWHQT-DVECYGJZSA-N 480.569 2.181 30 10 JEEE C=CCC(C)(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1740847493 KDQMMHLRZAFHKB-MRXNPFEDSA-N 480.660 2.464 30 10 JEEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1740868323 JCPHFEHMKDJWHU-UHFFFAOYSA-N 480.617 2.463 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1740951701 LRJHHRQBZUZDOK-IPELMVKDSA-N 456.522 2.107 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1740964925 XLUFYLIHEHCEND-LJQANCHMSA-N 454.575 2.271 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccc(C(F)(F)F)n2)C1 1740972084 CKZQAXFWKARPTR-HIFRSBDPSA-N 474.509 2.132 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCC(c2cnn(CC)c2)CC1 1740992186 CJWJZCHPMIDLBN-UHFFFAOYSA-N 469.615 2.465 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](c2ccccc2F)C1 1740995342 IRYBDMOTZXPBDJ-YYWHXJBOSA-N 494.589 2.320 30 10 JEEE C=CCSCCn1c(N2CCC(C(=O)N3CCOCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1741004454 AVBBHEMAJJAABD-XMMPIXPASA-N 493.674 2.313 30 10 JEEE CC(C)N(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1741604595 HNXOUDUUQJUQAB-UHFFFAOYSA-N 473.647 2.407 30 10 JEEE CCn1nc(-c2nnc(N3CCC(CC#N)CC3)n2C[C@@H](COC)OC)c2ccccc2c1=O 1746471210 BPHVKWWGGUUVEK-SFHVURJKSA-N 465.558 2.466 30 10 JEEE CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCO[C@H]2C(C)C)CC1 1746511168 CPOPXVAUZFZEBE-GGAORHGYSA-N 465.602 2.136 30 10 JEEE C#CCCCn1c(N2CCC(C(=O)NCC(F)(F)F)CC2)nnc1[C@]1(OCC)CCOC1 1748762732 QFLMRMQCKKINKU-FQEVSTJZSA-N 457.497 2.239 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCOc1c(C)cccc1C)[C@@H]1CCS(=O)(=O)C1 1748811771 LDEWRTBTBZCYPX-HXUWFJFHSA-N 468.583 2.001 30 10 JEEE C#CCN(CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1nnc(C)s1 1748936125 NVRWYLDGHQPVSB-UHFFFAOYSA-N 450.616 2.311 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccc(OC)cc3)n2CCc2ccn(C)n2)CC1 1749015939 SWVGRZJFFCISID-UHFFFAOYSA-N 475.597 2.014 30 10 JEEE COC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1)OC 1749343817 CAYXBUDTZHCSSQ-ZHRMCQFGSA-N 471.558 2.164 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1749366594 HQSUVQJAHHNJTM-QGZVFWFLSA-N 487.692 2.033 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCN2CCOC[C@H]2C1)C(C)C 1749557445 JJQRTTWNPYGYHW-DNVJHFABSA-N 458.651 2.392 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)Cc1ccoc1C 1749724054 GUHXTJFISXRKAA-UHFFFAOYSA-N 478.596 2.487 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2C[C@@H]2CCOC[C@@H]2OC)c1 1760124846 BSEDTHJPQPGSGF-UNMCSNQZSA-N 460.538 2.448 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1Cc1cc(F)ccc1N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1760186015 IWCPSTREGDPJSY-OAQYLSRUSA-N 489.617 2.127 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCCN(C)[C@@H]1c1cccs1 1760248668 PSSFVSGVAICKHW-WFXMLNOXSA-N 456.616 2.460 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@@H]2CCN(CC)C2)CC1 1760254880 NZTXBHCJKYOLSP-LJQANCHMSA-N 468.602 2.068 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC2(CC)CC2)CC1 1760267300 YKZQFNDKZQZCOJ-UHFFFAOYSA-N 498.653 2.351 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H]2N(C)CCCC2(C)C)CC1 1760269773 OIQZQLYLVAINAE-SFTDATJTSA-N 456.635 2.258 30 10 JEEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1760285047 YAKKTXGBDDAVNC-UHFFFAOYSA-N 464.555 2.260 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCOC2(CCCC2)C1 1760315998 KYHHKJCUSHQYIB-SQNIBIBYSA-N 453.609 2.019 30 10 JEEE C=C(C)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCN(C(=O)NCC)CC1 1760345166 LSQVEGVFNREHEU-UHFFFAOYSA-N 464.574 2.493 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc(C)c2)CC1 1760357257 HEHYZYBUZMKDKX-HXUWFJFHSA-N 459.616 2.408 30 10 JEEE CC(C)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCO[C@@H]2C)[C@H](C)C1=O 1761120721 DDYQJDRIQJHXPQ-QZTZHPFYSA-N 452.559 2.050 30 10 JEEE CC(C)NS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1763089138 GCVIVSRVURRYGA-IBGZPJMESA-N 485.658 2.455 30 10 JEEE CS(=O)(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCC2CCOCC2)CC1 1770345383 HFYXZOBNGVQIAM-UHFFFAOYSA-N 458.588 2.105 30 10 JEEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ncnn2C(C)(C)C)C[C@@H]1C 1771135672 FTQCHECQJKHOFZ-SFHVURJKSA-N 463.590 2.368 30 10 JEEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N(CCC#N)CC3CC3)n2Cc2ccc(F)cc2F)C1 1771360320 BNFDDNZYKYAXLZ-LJQANCHMSA-N 480.541 2.068 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCC(S(C)(=O)=O)CC1 1772659930 VJTZJICRHIOVJE-UHFFFAOYSA-N 473.020 2.213 30 10 JEEE C=CCNC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@H]1CC(=O)N(CCc2ccc(OC)c(OC)c2)C1 1861592600 CTETUVMAZQPQEQ-RBBKRZOGSA-N 497.567 2.264 30 10 JEEE O=C(C1=C(O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccccc1C(=O)O)c1ccc2c(c1)OCO2 1862629427 VVFABBOVZVBXGW-OAQYLSRUSA-N 480.473 2.024 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@@H]2c2ccc(OC)c(OC)c2)cc1 1862696000 LSLRPBQCVXAYJZ-OAQYLSRUSA-N 454.479 2.427 30 10 JEEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(C(=O)O)cc1 1862757919 SMNKSZHJTIFDCU-GOSISDBHSA-N 453.407 2.007 30 10 JEEE N#C[C@@H](c1cccs1)N1CCC(C(=O)N[C@@H](CO)C(=O)Nc2cc(Cl)ccc2O)CC1 1866868014 RNLWAWDOZGCFNA-IRXDYDNUSA-N 462.959 2.500 30 10 JEEE COCCN(CCOC)C(=O)[C@@H](CCSC)NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1 1868783501 RZQFYBFXTCAJLJ-WOJBJXKFSA-N 496.699 2.384 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)COc2cn(CCCN3CCOCC3)c(C)cc2=O)nc1C 1870088244 OWAIADIOVHLWCU-UHFFFAOYSA-N 490.582 2.004 30 10 JEEE CCc1ccccc1-n1nnc(C#N)c1NC(=O)CNC(=O)c1cc(OC)c(OC)c(OC)c1 1870140258 HDBBOKAOOIAKLC-UHFFFAOYSA-N 464.482 2.096 30 10 JEEE C=CCn1cc(OCC(=O)NCCN(CC)CC)c(=O)cc1CN(CC)CCc1ccncc1 1870535154 JEKLTHWUVQZPEH-UHFFFAOYSA-N 469.630 2.331 30 10 JEEE CCN(CC)c1cccc(OCC#CCNC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1 1891741435 NXAWPIZHBRCVNW-UHFFFAOYSA-N 464.478 2.236 30 10 JEEE 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 2223101095 YMGOCOYIDLYOCQ-RSJGLCBASA-N 453.580 2.436 30 10 JEEE C#CC(CO)(CO)NC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@H](C)CC 2245489478 BRHLZSNHIBOHSZ-HXOBKFHXSA-N 450.535 2.413 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H](O)CNC(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2255524042 NYQMAIQIMOPUOV-AWEZNQCLSA-N 454.760 2.255 30 10 JEEE CN(CCOCCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1)C(=O)OC(C)(C)C 2255633774 HLPMOCFBNCVZQJ-UHFFFAOYSA-N 455.386 2.056 30 10 JEEE C=C(CS(=O)(=O)N[C@@]1(COC)CCN(C(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2255794998 QYHWGTMZMOOZIE-FQEVSTJZSA-N 460.402 2.119 30 10 JEEE COCC[C@@H](CNC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2255808706 NGOMAZZAFBCJSZ-ZDUSSCGKSA-N 455.386 2.102 30 10 JEEE CC(C)(C)OC(=O)N1CCSC[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2255852757 IIYHDJMGZMMPMC-HNNXBMFYSA-N 451.398 2.396 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)n1 2267185407 UWUOIBAVKUUOPJ-IBGZPJMESA-N 482.390 2.498 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](CO)[C@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2267278200 ZNLBKFWGACVLDE-LSDHHAIUSA-N 466.409 2.395 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NOCCCNC(=O)OC(C)(C)C 2267357981 DBCNAOCDLKHCEE-UHFFFAOYSA-N 470.397 2.419 30 10 JEEE CC(C)(C)OC(=O)NC12COC(C(=O)NCc3ccc(B4OC(C)(C)C(C)(C)O4)cc3)(C1)C2 2280658672 MSRNHJKZPYRLSR-UHFFFAOYSA-N 458.364 2.428 30 10 JEEE CC(C)(C)OC(=O)N1CC2(COC[C@H](CNc3cccc(B4OC(C)(C)C(C)(C)O4)n3)O2)C1 2281495124 WKTJKPRBJYRCDW-INIZCTEOSA-N 461.368 2.198 30 10 JEEE CCN(C(=O)c1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2281802620 MQRQSNIJZFJVRO-MRXNPFEDSA-N 462.400 2.499 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@@H]([S@@](C)(=O)=NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2281931276 SXXTWRKQUSKTCM-LHRCYKKBSA-N 482.412 2.346 30 10 JEEE Cn1nc(C(=O)N[C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]32)cc1B1OC(C)(C)C(C)(C)O1 2281972948 OTXQBVCHLKIMBZ-VAMGGRTRSA-N 450.392 2.360 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)C(C)(C)[C@H]2C1 2281983893 AFESKOFRVUNWPH-CABCVRRESA-N 460.384 2.426 30 10 JEEE 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)sn2)C1 2281995822 HXTDXTGWAICHHU-JSGCOSHPSA-N 481.380 2.025 30 10 JEEE Cc1c(B2OC(C)(C)C(C)(C)O2)cccc1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1O 2282112209 YUDAEXLJZGINBO-OALUTQOASA-N 460.380 2.394 30 10 JEEE C[C@H]1CC[C@H](NS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CN1C(=O)OC(C)(C)C 2282351364 ZLBAHQDOVIPYTE-RDJZCZTQSA-N 481.424 2.447 30 10 JEEE CC(C)(C)OC(=O)N1[C@@H](CNC(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)COC1(C)C 2282513718 UMCWZNQQJOPLEC-HNNXBMFYSA-N 461.368 2.483 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@](C)(CNC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2282521483 ZMYBUGXHSLRSAA-JOCHJYFZSA-N 481.424 2.446 30 10 JEEE Cc1c(C(=O)N2C[C@@H](C)C[C@H](NC(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282554604 GNQDHFIRDITSLF-HOCLYGCPSA-N 462.400 2.403 30 10 JEEE CN(C(=O)OC(C)(C)C)c1ccc(NC(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)cn1 2282624405 MBJZJUIFHGYDKL-UHFFFAOYSA-N 458.328 2.133 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)[C@H]2COC[C@H]12 2282655985 FHQFRCTZIGMFTC-QRQLOZEOSA-N 458.364 2.350 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)[C@H]2CCC[C@H]21 2283059722 FMRZFLMIUMKXKV-OWCLPIDISA-N 458.368 2.294 30 10 JEEE COC(=O)[C@@H](CC(=O)NCc1sc(C)cc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2283927265 YRQKZUPQNOIXIB-OAHLLOKOSA-N 482.408 2.428 30 10 JEEE COC[C@@H](ONC(=O)OC(C)(C)C)C(=O)NCCc1ccccc1B1OC(C)(C)C(C)(C)O1 2283946200 KLNGQHXOGBYGAK-GOSISDBHSA-N 464.368 2.116 30 10 JEEE C[C@@H](c1nscc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)[C@@H]1C[C@H](O)CN1C(=O)OC(C)(C)C 2283954155 BKMCPWRDYOFEIN-DZKIICNBSA-N 481.424 2.332 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@H]2[C@@H]1[C@H]2C(=O)NCc1ccccc1B1OC(C)(C)C(C)(C)O1 2284036679 JCJYTZDUCPVGLY-CEXWTWQISA-N 458.364 2.236 30 10 JEEE CN(C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)[C@@H]1CN(C(=O)OC(C)(C)C)CC12CC2 2287007757 DFSHHHCIMIRKSH-MRXNPFEDSA-N 458.368 2.247 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CCN(C(=O)OCc3ccccc3)C2)n1C 2315527248 UNLSRZHPLQCKIL-SFHVURJKSA-N 468.363 2.169 30 10 JEEE NC(=O)CSc1nnc(COc2cc(F)ccc2F)n1N=Cc1ccc2c(c1)OCCO2 2327450059 LOXPJIJYSRIXPP-UHFFFAOYSA-N 461.450 2.366 30 10 JEEE Cn1nc(C(=O)NC[C@H]2[C@@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2359277950 JPBONNHDZOOLCZ-HZSPNIEDSA-N 480.802 2.358 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CS(C)(=O)=O)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2360550214 YVVGOENJVMIPOQ-MRXNPFEDSA-N 486.371 2.001 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](CNC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C2(CC2)C1 2361525921 SDALUXCSZSNLLO-OAHLLOKOSA-N 458.368 2.153 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@H]2C[C@@H](NC(=O)c3ncsc3B3OC(C)(C)C(C)(C)O3)C[C@H]21 2369091386 ZWPZDZCMGWDFFU-RRFJBIMHSA-N 479.408 2.339 30 10 JEEE C=CCNC(=O)CN1CCN(C(=O)CCn2cnc3scc(-c4ccc(C)cc4)c3c2=O)CC1 27165723 VNXFGYWBNFQNIW-UHFFFAOYSA-N 479.606 2.270 30 10 JEEE C[C@H](Sc1nc(O)c(C#N)c(-c2ccccc2)n1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 59049235 LIQVCAQECBTOSQ-LBPRGKRZSA-N 455.521 2.488 30 10 JEEE CCCCCCCCO[C@H]1O[C@@H]([C@H](COC(C)=O)OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 77312033 YQYGIWWSRQRBBQ-KGWSWXIGSA-N 460.520 2.447 30 10 JEEE in-vitro C=C(C)CN(CC)C(=O)Cn1c(=O)/c(=C\c2c(F)cccc2Cl)s/c1=C/C(=O)OCC 96839001 IYYVPNWRZNMRSS-BFLVDURVSA-N 466.962 2.299 30 10 JEEE COC(=O)c1[nH]c(C)c(/C(O)=C2/C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc([N+](=O)[O-])cc2)c1C 103225880 ZMXGVFFHFBSXIM-BWHWTHMTSA-N 470.482 2.310 30 10 JEEE C=CCOC(=O)C(C)(COC(=O)C1(C)COC(C)(C)OC1)COC(=O)C1(C)COC(C)(C)OC1 169722679 MOELSPIFPYUMRO-UHFFFAOYSA-N 486.558 2.387 30 10 JEEE Nn1c(S)nnc1NN=Cc1cc(Br)ccc1OCC(=O)NCc1ccccc1 254764704 NHFPSWULOCWSIH-UHFFFAOYSA-N 476.360 2.184 30 10 JEEE COCCn1cc(C=NNc2nc(SCC(=O)Nc3cc(Cl)ccc3OC)n[nH]2)cn1 1084508889 OFHZTMLPJGYTJF-UHFFFAOYSA-N 464.939 2.486 30 10 JEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2F)C1 1150855970 CHYHEGMWURGWKU-XJKSGUPXSA-N 450.923 2.413 30 10 JEEE C#CCN1CCC[C@@H](NC(=O)c2ccccc2NS(=O)(=O)c2ccc3c(c2)OCCO3)C1 1177760038 WPCMPKQPQAAIRI-QGZVFWFLSA-N 455.536 2.086 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1CCS(=O)(=O)N1CCSCC1 1286276231 VZQVAUNRWWQCCO-HNNXBMFYSA-N 485.582 2.383 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCN1CCCCC1=O 1286285904 ROEQQHXEWBGFKO-KRWDZBQOSA-N 457.604 2.099 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1C[C@H](C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1286388481 PSVYXWKSKXMEDY-WMZOPIPTSA-N 496.008 2.085 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccccn3)n2Cc2ccc(OCCCN(C)C)cc2)CC1 1286475702 GXEPJDIXWFOGAQ-UHFFFAOYSA-N 459.598 2.474 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@]2(C)CN(C)C2=O)CC1 1286487257 MDCQKCOZLLXDCZ-HSZRJFAPSA-N 499.413 2.152 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2CC[C@@H](F)C2)CC1 1286487860 PYMODUVFSQMJLL-YLJYHZDGSA-N 487.601 2.453 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCn2cc(C)cn2)CC1 1286488986 AJFDVSQGFIZLJU-UHFFFAOYSA-N 452.950 2.164 30 10 JEEE C=C(Cn1c(CC(C)C)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1)c1ccccc1 1286618223 XMABVOJSCNEMRV-UHFFFAOYSA-N 450.587 2.461 30 10 JEEE C=CCN(CC=C)c1nnc(-c2cc(Br)cn2C)n1CCC[C@@H]1NC(=O)NC1=O 1286754220 NMUCCLVRAHIHTJ-AWEZNQCLSA-N 462.352 2.213 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@H](Oc2ccccn2)C1 1286783975 RUQDAINEJDBETG-SFHVURJKSA-N 464.526 2.317 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cc2ccccc2o1 1286821074 ZPUFAOUOZNMFKB-KRWDZBQOSA-N 478.596 2.164 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1286822056 GLCNJUSCJBNFGA-DOMZBBRYSA-N 479.550 2.391 30 10 JEEE C#CCN(c1nnc(C2CCCC2)n1CCNC(=O)c1cccs1)[C@@H]1CCS(=O)(=O)C1 1300497486 ZAYONOJPGCCBMA-QGZVFWFLSA-N 461.613 2.054 30 10 JEEE C#CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CCC2(CC1)COC(=O)N2 1300741301 RXENBHJFMJLCSG-UHFFFAOYSA-N 479.404 2.491 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCOCC2)c(F)c1 1300900631 QUTFQZIGEIPYTQ-QGZVFWFLSA-N 480.610 2.315 30 10 JEEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)OC)CC1 1300952523 XIRHPSRZLMAFSL-MRXNPFEDSA-N 450.540 2.051 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cscc2C)CC1 1301123386 CGIQSZZLIQIVQD-SFHVURJKSA-N 451.618 2.432 30 10 JEEE C=CCCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1301186236 UUQNDTONAGCFPC-MRXNPFEDSA-N 471.587 2.468 30 10 JEEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1CCN(C(=O)OC)CC1 1301422353 HTWNKBBBRMJEDX-UHFFFAOYSA-N 495.584 2.309 30 10 JEEE C=CCNC(=O)Cn1c(N2CCN(C(=O)C(C)C)CC2)nnc1C1(c2ccccc2)CCC1 1301519604 PXZTZMRNYDHWFX-UHFFFAOYSA-N 450.587 2.355 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCCN(c2ncccc2F)CC1 1301589114 NTKYDORXXJPHAS-SFHVURJKSA-N 478.594 2.024 30 10 JEEE CC(=O)N1CCC[C@@H](Cn2c(-c3csc(N4CCOCC4)n3)nnc2N(C)C[C@H](C)C#N)C1 1301681008 GVDUCVDKXIUIIK-SJLPKXTDSA-N 472.619 2.093 30 10 JEEE C#CCN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1)C1CCN(C(=O)OC(C)(C)C)CC1 1303655459 DNQOWVPOWPDZBP-GOSISDBHSA-N 451.564 2.484 30 10 JEEE Cc1cccc([C@H](C)Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@](F)(C#N)C2)c1 1304154374 FJERSDXWUOACIH-LZNRXBQRSA-N 476.578 2.165 30 10 JEEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCCC2(C)C)C1 1314001149 DTMVACJBBMKZKL-WMZHIEFXSA-N 472.615 2.276 30 10 JEEE CN(CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C[C@H]2CCOC2)CC1)CC(F)(F)F 1314861541 ASHFPFYHQMFIEB-LJQANCHMSA-N 477.535 2.469 30 10 JEEE N#C[C@@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCc2cccnc2)CCO1 1316535196 FQZIZBBYKLIUTB-LJQANCHMSA-N 451.918 2.228 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCN(CCC)C1 1358877085 WXFXKLJXHKINLQ-RTBURBONSA-N 458.632 2.385 30 10 JEEE C#CCCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@@H](C(N)=O)C1 1358905734 JWEYGRMXWBTAAU-QGZVFWFLSA-N 457.604 2.052 30 10 JEEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C1CCN(C(=O)c2ccccc2)CC1 1359121955 PRJSQQMHAQBEJS-IBGZPJMESA-N 457.600 2.497 30 10 JEEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1359128027 HTLQROIHISGDHJ-ROUUACIJSA-N 462.528 2.055 30 10 JEEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccn2)n1C[C@@]1(O)CCS(=O)(=O)C1 1359263547 DQWRKBIPTKWPHZ-NRFANRHFSA-N 459.597 2.068 30 10 JEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(O)(Cc2ccc(F)cc2)CC1 1359303996 HQPGEMUUSVPNCT-UHFFFAOYSA-N 481.576 2.155 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H]1c1nncn1C 1359309651 ZQSBHNHJTXCYAZ-SFHVURJKSA-N 450.547 2.499 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN(C(=O)c2c(F)cccc2F)CC1 1359334707 OJFUWGMWVAYRLF-UHFFFAOYSA-N 479.553 2.072 30 10 JEEE CCS(=O)(=O)Nc1ccc(S(=O)(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)cc1F 1463451306 CPHGCULZDJTKLN-IBGZPJMESA-N 453.517 2.221 30 10 JEEE CC(C)[C@H](C#N)N1CCN(C(=O)c2ccc(S(=O)(=O)N(C)C)c(Br)c2)CC1 1464747050 HBXLOEGVABKQGF-INIZCTEOSA-N 457.394 2.005 30 10 JEEE CCOC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2([S@@](C)=O)CC2)C1 1502524573 BJUQPUYNXINARK-HYHKQLJDSA-N 456.572 2.443 30 10 JEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1ccc(CSC)cc1)[C@@H]1CCS(=O)(=O)C1 1507623062 QIEZCPVFKORNPT-HXUWFJFHSA-N 487.651 2.052 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1cccnc1OCCCC)[C@H]1CCS(=O)(=O)C1 1507639402 XVABQCISNLEVIA-VQTJNVASSA-N 473.599 2.379 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1507643706 QOQMQXPFDGFAQZ-DFBJGRDBSA-N 466.538 2.382 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCOc2ccc(F)c(F)c2)CC1 1507738087 JMYZAMNQQZXMMH-UHFFFAOYSA-N 469.496 2.002 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(=O)COC)CC1 1507809410 UYCQWHNRJVKDPM-YVNJGZBMSA-N 475.634 2.473 30 10 JEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccc(F)c2F)CC1 1507943826 MFJPCDIPCVYWER-HNNXBMFYSA-N 454.547 2.459 30 10 JEEE C=CCCOCCn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1507957373 GZTCCGWVUUXOQV-UHFFFAOYSA-N 472.977 2.118 30 10 JEEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(Oc2cc(C)ccn2)CC1 1508089589 CJVXLBDJAHBBGX-UHFFFAOYSA-N 495.609 2.323 30 10 JEEE C=CCNC(=O)Cn1c(Cn2ccc3ccccc32)nnc1N1CCC[C@H](NC(=O)OCC)C1 1508093144 BEOCDWYSCQOUBH-IBGZPJMESA-N 465.558 2.298 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(CC)Cc1cnn(C)c1 1508097324 HVAPTTPDXMKERZ-SFHVURJKSA-N 472.594 2.412 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](CC)c2ccccc2)nnc1N1CCN(C(=O)OC)CC1 1508134379 DGEAATSSBSDHHR-LJQANCHMSA-N 461.588 2.309 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccc2cnccc2c1 1508140623 PDSIEZQMIJNGIM-IBGZPJMESA-N 454.556 2.015 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC=C(C)C1 1508146177 VCIVSNIVIKFEPJ-SFHVURJKSA-N 481.619 2.344 30 10 JEEE CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccc(OCCN2CCCC2)cc1 1509637063 DIACJRAIDYCXNI-XMMPIXPASA-N 469.565 2.381 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cn3nc(C)cc3C)n2CCC2(O)CCOCC2)c1 1539045652 HCJJMVOXXYCWQC-UHFFFAOYSA-N 491.596 2.128 30 10 JEEE C#CCN(c1nnc(COc2ccccc2CC)n1C[C@H]1CCCOC1)[C@H]1CCS(=O)(=O)C1 1539229834 ITDYBWNFBFRRKH-CTNGQTDRSA-N 472.611 2.473 30 10 JEEE C#CCN(c1nnc(CSc2ccc(C)cc2)n1CCCn1ccnn1)[C@@H]1CCS(=O)(=O)C1 1539230990 NGILCOIFHTVJMW-LJQANCHMSA-N 485.639 2.187 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccccc2Br)n1CC1(C(N)=O)CCOCC1 1539320678 YGUUAPCGTMBAMY-UHFFFAOYSA-N 470.371 2.453 30 10 JEEE C#CCN1CCN(c2nnc(CCCc3ccccc3)n2CC2CCS(=O)(=O)CC2)CC1 1539454406 MYZWZBHQNNJHAG-UHFFFAOYSA-N 455.628 2.033 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CCCN2CCCO[C@H](C)C2)CC1 1539484100 CEWGWEQZXAXLKR-LJQANCHMSA-N 499.685 2.101 30 10 JEEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(Cc2csc(CC)n2)CC1 1539514268 XOFKOOMUXOGHCL-UHFFFAOYSA-N 456.645 2.386 30 10 JEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1csc(CC)n1 1540004660 DHTOFKQCZSJZBY-INIZCTEOSA-N 454.622 2.233 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c(-c2cnccn2)nnc1N1CCN2C(=O)OC[C@H]2C1)C(C)C 1540151342 GKDBSMAJOBVPQJ-QUCCMNQESA-N 452.563 2.075 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](C(=O)N[C@@H](C)CCC)C1 1540869770 WDQVKELEYRUDIQ-HKUYNNGSSA-N 453.591 2.472 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCC(NC(=O)C2CC2)CC1 1540900573 AGCUQXRDADDAHA-UHFFFAOYSA-N 473.599 2.050 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1540902319 HAABXKDKRPFYMM-UHFFFAOYSA-N 460.560 2.381 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@@H]1CCOC[C@H]1C 1545920827 AJQQNOKACNEMTM-QYZOEREBSA-N 495.632 2.246 30 10 JEEE COc1cccc(-c2nnc(N3CCN(c4c(C#N)c(C)nn4C)CC3)n2C[C@H](C)N(C)C)c1 1555009551 AMSNTFBBBIGNGF-KRWDZBQOSA-N 463.590 2.144 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@]1(O)CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1588034813 MBZFVLZPGUXOLW-CVDCTZTESA-N 487.582 2.421 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@H]2CCCS2)CC1 1588836693 NVERPNHTNVFXCZ-OALUTQOASA-N 476.647 2.237 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC(=O)N1CCOCC1 1595109307 WPXWTVUNFZESOD-RUZDIDTESA-N 469.586 2.370 30 10 JEEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2F)n1C[C@]1(O)CCS(=O)(=O)C1 1595251222 PSNISHPYIUJXSF-JOCHJYFZSA-N 460.531 2.462 30 10 JEEE C#CC1(F)CN(C(=O)CCCCCNC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)C1 1633365684 NOGWTYSZXQFGPL-UHFFFAOYSA-N 457.955 2.064 30 10 JEEE CN(C)C(=O)C[C@@H](NCC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)c1ccccc1 1643120231 GMRCULDYLICVSV-DHIUTWEWSA-N 451.546 2.344 30 10 JEEE CC(C)(C)S(=O)(=O)N1CCC(NC(=O)N2CCN(c3ccc(F)cc3C#N)CC2)CC1 1681315135 CEJCBYSGTMVXST-UHFFFAOYSA-N 451.568 2.122 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2Cc2c(CC)nn(C)c2CC)c1 1689870185 DVPGPIHMVHMAFP-NRFANRHFSA-N 488.596 2.192 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1ccc(C(C)(C)O)cc1)[C@H]1CCS(=O)(=O)C1 1689992866 QFGCPTMEDSWVGK-QFIPXVFZSA-N 479.606 2.166 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@H](c1ccco1)N1CCCCC1 1690092606 OEXCWLKCXXUUGE-FQEVSTJZSA-N 454.575 2.420 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 1690110529 PRVIDTNBJDZUKI-IBGZPJMESA-N 494.600 2.080 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3CC)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1690133800 UQHXQYJNDPNMII-NRFANRHFSA-N 450.587 2.089 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2cc(OC)ccc2OC(F)F)CC1 1690142202 JYVROOJYJDJKBT-UHFFFAOYSA-N 499.522 2.303 30 10 JEEE C=C(Cl)Cn1c(N2CCCN(CC(=O)N3CCCC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1690358743 JTCYRINRSASSOW-QHCPKHFHSA-N 481.041 2.206 30 10 JEEE C=C(Cl)Cn1c(N2CCN(S(C)(=O)=O)[C@@H](C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1690358954 OURSGZPCDDJMJR-HRCADAONSA-N 489.042 2.271 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1690678034 IWQDWNSYFKCXPH-MJGOQNOKSA-N 484.605 2.380 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC(C)(C)N2CCOCC2)C1 1690687675 GZYCTRUJTRTMSK-FQEVSTJZSA-N 489.642 2.241 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCCN(C(C)C)CC1 1690721135 YRNBJMCFTBLKAU-UHFFFAOYSA-N 461.588 2.195 30 10 JEEE CC(C)(C)c1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCC(=O)N2CCOCC2)cc1 1691045309 BHFPXQRHWGCWFV-OAQYLSRUSA-N 482.585 2.132 30 10 JEEE COCCN1C[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N(C)C2CCC(NC(C)=O)CC2)CC1=O 1698074752 FHHCZUCEASDGLF-RDABAPPSSA-N 493.612 2.195 30 10 JEEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H](C)O[C@H](COC)C1 1705509047 BVEKRNNWZLLTRI-ICSRJNTNSA-N 475.615 2.239 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC[C@@](C)(O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1705566878 RLMCTGPNNBWXBK-AWRGLXIESA-N 472.611 2.444 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 1705598339 HFSJEWSXJDSSFM-SQNIBIBYSA-N 487.548 2.368 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCCCS1(=O)=O 1705618560 LYUKTSJPYZTDKG-FQEVSTJZSA-N 473.574 2.260 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cccc(CO)c1 1705628994 UTYUNUOTQDLPEY-OAQYLSRUSA-N 485.585 2.213 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2Cc2ccccc2S(=O)(=O)N(C)C)CC1 1705647235 BAOKXZDXUKQWIR-UHFFFAOYSA-N 498.653 2.200 30 10 JEEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1705680822 HXVXJRICZMJLPE-BHYGNILZSA-N 458.401 2.068 30 10 JEEE C=C(Br)Cn1c(-c2cnccn2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1705684823 DFLRKZJMDTXWSQ-INIZCTEOSA-N 489.422 2.213 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CCc2ccccc2)nnc1N(C)CC(=O)N1CCOCC1 1705706517 WGZHGZVGXBZBHR-URXFXBBRSA-N 453.587 2.340 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccoc1 1705857655 ZCLHVUSNSDLRNV-NRFANRHFSA-N 487.582 2.454 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(CCN2[C@H](C)CC[C@H]2C)CC1 1705905202 NMNQQIOBCOEMDD-NHCUHLMSSA-N 483.636 2.305 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 1705932628 XBXGECBHADCOJW-KRWDZBQOSA-N 478.619 2.235 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc(-c2ccc3ccccc3n2)n1CC1(O)CCS(=O)(=O)CC1 1706743241 GIYGNZWVLHFJCG-INIZCTEOSA-N 454.556 2.171 30 10 JEEE Cc1cnc([C@H](C)Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@](C)(C#N)C2)s1 1707711022 BHOUODVGEALOER-LDBYXDLTSA-N 493.659 2.310 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCSCC2)cc1 1722292625 AFDZUQQGXGCMKS-MJGOQNOKSA-N 459.641 2.240 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1cccc(OC)c1)N1CCCC1 1722296275 OREFHSSISIZIDL-VCOUNFBDSA-N 471.627 2.484 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CCN(c4ncccn4)CC3)n2CC(C)(C)O)c1 1722310387 VHYHRXYLGPXCTJ-UHFFFAOYSA-N 488.596 2.279 30 10 JEEE C#CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1722333189 HZGOQVRRYVUTEM-RBUKOAKNSA-N 471.606 2.362 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCCCN1CCC)[C@H]1CCS(=O)(=O)C1 1722366203 HGONKKMTGGYWRD-NJYVYQBISA-N 463.648 2.063 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCOC(F)(F)F 1722375090 JRZZCOVYHUKFOI-UHFFFAOYSA-N 469.489 2.195 30 10 JEEE C=C(Br)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H]2C[C@H]1CO2 1722479141 BUDGIDSITCHCKI-HOTGVXAUSA-N 482.404 2.472 30 10 JEEE C=C(Cl)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1722545509 HGFIDZQXWGDQSM-UHFFFAOYSA-N 490.948 2.244 30 10 JEEE C=CCNC(=O)Cn1c(N2CCN(Cc3ccccc3)C[C@@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 1722703822 JBWNVDOUQUNAMQ-HFZDXXHNSA-N 482.629 2.332 30 10 JEEE C=CCOc1ccccc1Cn1c(CC(C)C)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1722708216 MWELHQILTZQPET-UHFFFAOYSA-N 466.586 2.017 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1722729518 NHOSZYBZSLIBRW-UHFFFAOYSA-N 499.616 2.342 30 10 JEEE CC[C@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1727092372 GZGNIBMQEQVCQJ-NZQKXSOJSA-N 478.645 2.338 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@](C)(OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1740626959 DINKGDOJNSPPIE-GBXCKJPGSA-N 483.594 2.171 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2Cc2ncccc2C)CC1 1740690541 WWBHQDMIGBDINC-UHFFFAOYSA-N 463.973 2.368 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)cn3C)n2CC2(C)COC2)CC1 1740703650 ZXVVRNUQSPNZFH-UHFFFAOYSA-N 475.391 2.048 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCCc2cccc(F)c2)CC1 1740708454 QEPOAMOUNIGFDD-UHFFFAOYSA-N 466.561 2.138 30 10 JEEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1740711785 RPBNAIXWLIADFD-UHFFFAOYSA-N 499.637 2.404 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1C(C)C 1740761036 LVRDOTVIKVIJGT-ZRNYENFQSA-N 467.636 2.217 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)[C@H]1CC 1740762806 GRCWZVLGKKFGRD-UZKOGDIHSA-N 450.543 2.425 30 10 JEEE C=C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC(C)(C)C(=O)NC)CC1 1740820096 QLLZVFDOXJWJNK-UHFFFAOYSA-N 460.604 2.124 30 10 JEEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 1740863700 DJVRSPVOAMGIPU-AEFFLSMTSA-N 481.644 2.381 30 10 JEEE C=CCN(CCc1ccco1)c1nnc(C(=O)N2CCCC2)n1CC1(S(C)(=O)=O)CCC1 1740934295 BVWZDGHXEULIKZ-UHFFFAOYSA-N 461.588 2.310 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)N1CCOCC1 1740935280 GWCFYSRGYWJFBI-RBBKRZOGSA-N 473.643 2.136 30 10 JEEE C=CCN(CCOC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H]1CCS(=O)(=O)C1 1740941926 WYEZGIIEGZOFQD-SFHVURJKSA-N 497.662 2.466 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1740953872 UHXLUHHTYWNJMB-IBGZPJMESA-N 494.600 2.389 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC2(NC(=O)OC(C)(C)C)COC2)C1 1740972340 HBOWVWJASHGNDN-UUOWRZLLSA-N 493.605 2.005 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](c2ccccc2)[C@H]1C 1740992858 UWJUBQLDXUVCOV-RLLQIKCJSA-N 478.640 2.163 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC(NC(=O)c2ccccc2C)CC1 1740995564 PSQFSNVKDGWBCO-OAQYLSRUSA-N 487.626 2.438 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccn(-c2ccc(F)cc2)n1 1741903957 GDNQEGIOXJKBCI-JKSUJKDBSA-N 474.566 2.194 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCCN1CCC[C@H]1CO 1748647082 INEARNSUGYHXPL-QUCCMNQESA-N 487.674 2.241 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2CCc2nccs2)c1 1748694764 NLOXDFKNDHCVRT-UHFFFAOYSA-N 463.567 2.156 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1ccnc(C(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 1748818336 YXQSHFXKMRJVFJ-DLBZAZTESA-N 483.516 2.261 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)cn3C)n2CCCn2cccn2)CC1 1749003725 TXWJPARZVKMELQ-UHFFFAOYSA-N 499.417 2.299 30 10 JEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2cccc(OC)c2)C1 1749426828 IOJXXFDEJSBRQA-SFTDATJTSA-N 491.614 2.164 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCc2cccc(F)c2)C1 1749713844 ZLNNOWYIHDDRON-LEWJYISDSA-N 493.605 2.164 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CCC2)C1 1749718809 IYDGQXKCUPLGCM-FQEVSTJZSA-N 471.583 2.477 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1749725145 QTNPXXKUKFLQSX-WZONZLPQSA-N 471.583 2.192 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CCN(c2ccnc(C)n2)CC1 1749740168 ROJNANSNMQTFEG-UHFFFAOYSA-N 497.625 2.191 30 10 JEEE CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCOC[C@@H]2CCCO2)[C@H](C)C1 1749850684 DHDWHFVESYCNCU-GCJKJVERSA-N 452.559 2.459 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@]1(C)CCO[C@H]1C1CC1 1751217259 BQHAGNIGXAZYEB-YHEJVBIMSA-N 450.609 2.224 30 10 JEEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@]1(O)CCS(=O)(=O)C1 1760123503 GXPKTFQSSZGDIG-ORAYPTAESA-N 473.382 2.171 30 10 JEEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN(Cc2cc(F)ccc2OC)CC1 1760157700 YRLYNKSPYUHDQD-UHFFFAOYSA-N 454.550 2.284 30 10 JEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1CCC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1760185869 FYTTUMWNHDTDRA-LJQANCHMSA-N 463.003 2.454 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@@H]1OCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1760193164 VPFFLTGELAXHKA-PXNSSMCTSA-N 476.574 2.438 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCCn2cc(CO)nn2)CC1 1760257007 YTELZIQLQKRLEM-UHFFFAOYSA-N 475.384 2.181 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@H]2CCC(F)(F)C2)CC1 1760266199 RYORDCHWUWAWOM-SJORKVTESA-N 453.534 2.403 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CC)Cc1nc(O)c2sccc2n1 1760281648 PHTUHZQOFAYBNS-CQSZACIVSA-N 492.652 2.283 30 10 JEEE C=C(C)COCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1760355298 FBRVGBCMPOFBME-UHFFFAOYSA-N 493.612 2.479 30 10 JEEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1760431560 URHUFHAXBAIELT-SFHVURJKSA-N 452.563 2.474 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C 1760505341 RQYDNAPLNVLJLC-DLBZAZTESA-N 471.624 2.074 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1760523477 ZMXALJZAUMCQQY-IRXDYDNUSA-N 472.594 2.110 30 10 JEEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCNc2nccc(C(F)(F)F)n2)C1 1761544290 AHTVSWYOCNNDRW-IFXJQAMLSA-N 498.535 2.231 30 10 JEEE COC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1767984592 BHYSAZFCZNEWKC-FQEVSTJZSA-N 495.628 2.287 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1772660441 XJRKZIRNCYSLBW-FDDCHVKYSA-N 476.599 2.329 30 10 JEEE COc1ccc(-c2nnc(N3CCN([C@H](C)C(=O)Nc4ccc(C#N)cc4)CC3)nc2O)cc1 1859429537 FAUDTGVXWFZXST-MRXNPFEDSA-N 459.510 2.274 30 10 JEEE N#Cc1ccc(COc2cn(Cc3ccc(S(N)(=O)=O)cc3)c(CSCCO)cc2=O)cc1 1870232919 PAISDRRUIAZRTI-UHFFFAOYSA-N 485.587 2.220 30 10 JEEE CCCCCCCCn1cc(OCC(=O)N(C)C[C@@H]2CCCO2)c(=O)cc1CN1CC(O)C1 1870547921 PQUHSYWOKNXIIR-QFIPXVFZSA-N 463.619 2.402 30 10 JEEE COc1ccc(CC(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)c(Br)c1 1889484422 WQDKEBJLLKKHBO-UHFFFAOYSA-N 478.431 2.259 30 10 JEEE CCN1CCN(CC#CCOC2CCN(S(=O)(=O)c3cc(Cl)ccc3OC)CC2)CC1 1889708324 UUYRLAQDBDHEDV-UHFFFAOYSA-N 470.035 2.159 30 10 JEEE CC(C)N1C(=O)CS[C@H](C(=O)N2CCC([C@@H]3CNC(=O)O3)CC2)[C@H]1c1ccc(C#N)cc1 1889995133 ASMOCJQGTHQWLZ-TYPHKJRUSA-N 456.568 2.299 30 10 JEEE CC(C)(C)OC(=O)NC1CC([C@@H](F)C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 1907338512 AHOJREDWYFHCNA-PESDSKBTSA-N 450.320 2.356 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2COCC[C@]2(C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C1 2124620600 JCULQAQBYIDMRE-CZSZKKDXSA-N 454.571 2.497 30 10 JEEE Cc1sc(C(=O)NC2(CO)CN(C(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2255605552 MQGZZFAALMVQJM-UHFFFAOYSA-N 452.382 2.067 30 10 JEEE COC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1nscc1B1OC(C)(C)C(C)(C)O1 2256595558 NCMGBCCNDOTCJY-TZMCWYRMSA-N 455.386 2.159 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@@]1(CO)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2256616394 BFPMRPHAXMFMGF-HXUWFJFHSA-N 453.370 2.143 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2Cl)[C@H](O)C1 2267014257 WMRCHXFEVFYCCS-DLBZAZTESA-N 466.771 2.349 30 10 JEEE CC(C)(C)OC(=O)N1CCC(N(CC(N)=O)C(=O)[C@H]2C[C@H]2B2OC(C)(C)C(C)(C)O2)CC1 2267097740 RQDVIUOEXLRJQE-JKSUJKDBSA-N 451.373 2.182 30 10 JEEE Cc1nc(C(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2267168135 AOUYQGQPUWODDU-QHCPKHFHSA-N 457.405 2.118 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N=[S@@]1(=O)CC[C@@H](NC(=O)OC(C)(C)C)C1 2267268803 ZIUSRCNKCLQGDW-IBADJEFMSA-N 467.397 2.230 30 10 JEEE CC(C)(C)OC(=O)N[C@]12C[C@H]1CN(S(=O)(=O)c1ccc(B3OC(C)(C)C(C)(C)O3)cc1)C2 2267713342 AIZPLVPFGRLHNP-NYHFZMIOSA-N 464.393 2.274 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@H]1CC(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2268651569 PCCGAKPPECOGAU-CQSZACIVSA-N 467.397 2.085 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](OCC(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)C1 2268719082 YDANPLABQOTXOO-CQSZACIVSA-N 467.397 2.085 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@@H]1CNC(=O)c1cc(F)ccc1B1OC(C)(C)C(C)(C)O1 2281790052 QUZNQZGSGFYJED-INIZCTEOSA-N 464.343 2.491 30 10 JEEE Cn1ncc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CCC2(C)C)c1B1OC(C)(C)C(C)(C)O1 2281809657 IRRCOFMLLUNUCT-INIZCTEOSA-N 462.400 2.485 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@]1(CF)CCN(C(=O)OC(C)(C)C)C1 2281964933 FKYCPQXCVADBOO-QFIPXVFZSA-N 466.363 2.281 30 10 JEEE C[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2281981202 MQJMKSMKNDSHCO-JKSUJKDBSA-N 462.400 2.485 30 10 JEEE C[C@@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)[C@@H](CNC(=O)OC(C)(C)C)C1 2281981458 NRKSWZPRASDCFY-HZPDHXFCSA-N 462.400 2.485 30 10 JEEE Cc1c(C(=O)N=[S@@](C)(=O)C[C@H](C)NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281984075 CGAHKJMBVAHEQX-KMWOBCOYSA-N 484.428 2.179 30 10 JEEE C[C@@H]1CN(C(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)C[C@@H](C)N(C(=O)OC(C)(C)C)C1 2282035521 WPVWKJGPAFFVOR-HZPDHXFCSA-N 462.400 2.437 30 10 JEEE Cc1c(B2OC(C)(C)C(C)(C)O2)cccc1C(=O)NC[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 2282119702 WEWIXSJXVIKSGS-DEOSSOPVSA-N 460.380 2.396 30 10 JEEE CC1(C)OB(c2sc(S(=O)(=O)N3CCC[C@@H](C4OCCO4)C3)cc2Cl)OC1(C)C 2282309866 MCAHDQCGDHUXFP-GFCCVEGCSA-N 463.814 2.474 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](O)CN(C(=O)c2ccc(F)cc2B2OC(C)(C)C(C)(C)O2)C1 2282403168 PIDOOWUXEAKSCE-JKSUJKDBSA-N 464.343 2.225 30 10 JEEE Cc1ccnc(C(=O)NCCN(C[C@H](C)O)C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2282574133 KSNPUJSLIQUJIM-INIZCTEOSA-N 463.384 2.037 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 2282587454 MMNQOOANYXGFPE-HOTGVXAUSA-N 460.384 2.045 30 10 JEEE CC(C)(C)OC(=O)N1CCC(CO)(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)CC1 2282602922 ZHAHKRFBIAQGJP-UHFFFAOYSA-N 481.424 2.182 30 10 JEEE C[C@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)C[C@@H]1CNC(=O)OC(C)(C)C 2282628844 PUKASMPEGNMIRA-HOTGVXAUSA-N 462.400 2.342 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](CNC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1(C)C 2282694499 HFBWANQFJDCOSB-GOEBONIOSA-N 460.384 2.445 30 10 JEEE COC[C@]1(NC(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CCN(C(=O)OC(C)(C)C)C1 2282718089 RWFJFIHABZEWOY-QHCPKHFHSA-N 461.368 2.137 30 10 JEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](NC(=O)OC(C)(C)C)CC[C@@H]1C(=O)O 2310729516 DRHFQBAPDSDXKP-BZUAXINKSA-N 453.536 2.262 30 10 JEEE CCOc1c(C=NNc2cnn([C@@H]3CCS(=O)(=O)C3)c(=O)c2Br)cccc1OC 2322659959 LVWLIVGCWQGCCN-CYBMUJFWSA-N 485.360 2.219 30 10 JEEE COc1ccc(C=Nn2c(SCC(N)=O)nnc2[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1OC 2325917331 GMGJTVIVOJRSQE-GOSISDBHSA-N 494.577 2.271 30 10 JEEE COC(=O)c1ccc(C=Nn2c(COc3cc(F)ccc3F)nnc2SCC(N)=O)cc1 2327450055 KDSSRLSDAQNQCQ-UHFFFAOYSA-N 461.450 2.382 30 10 JEEE COCc1nnc(SCC(=O)OCC(C)C)n1N=Cc1cc2c(cc1[N+](=O)[O-])OCCO2 2331597053 RDNPFHBSJXHDGC-UHFFFAOYSA-N 465.488 2.277 30 10 JEEE CO[C@H](CNC(=O)OC(C)(C)C)CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2339877958 GIJBWHIQMAJIBQ-AWEZNQCLSA-N 469.775 2.304 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(NC(=O)[C@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C)c1 2360528253 RQZZYNUAGVCJGQ-KRWDZBQOSA-N 482.408 2.171 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2[C@@H]3C[C@@H]3CN2C(=O)OC(C)(C)C)n1C 2362332878 PYIOQYJPZUUUMX-OAGGEKHMSA-N 460.384 2.013 30 10 JEEE CCCCCC[C@H](C)/C=C(C)/C=C/C(=O)N[C@@H]1CC2(O[C@@H]1O)[C@H]1O[C@H]1C(O)(CC(C)=O)[C@H]1O[C@H]12 13899956 YFJWRMZGLWVCSQ-WCTIEZBGSA-N 477.598 2.316 30 10 JEEE C[C@H]1CCCC[C@@H]1NC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1-c1ccc(C(N)=O)cc1 608828005 BZCBBEWTDGNVHY-JTSKRJEESA-N 486.597 2.196 30 10 JEEE N#Cc1ccc(N2CCC(NC(=O)CCN3C(=O)c4ccc(Br)cc4C3=O)CC2)nc1 608951406 GPNPIKSXNPZBSM-UHFFFAOYSA-N 482.338 2.487 30 10 JEEE C#CCN(C(=O)c1ccc(NS(=O)(=O)c2cc(C)ccc2C)cc1)[C@@H]1CCS(=O)(=O)C1 729330994 LAUGUHKNTIBIEV-HXUWFJFHSA-N 460.577 2.367 30 10 JEEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCCN=c1ncnc2n(C)[nH]c(Br)c1-2 729624932 GHHPMZPSHBBQOR-UHFFFAOYSA-N 489.334 2.217 30 10 JEEE CC(C)c1cccc(-n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3cnn4ccccc34)c2=O)c1 729669453 PPYRAMCNIWYARM-UHFFFAOYSA-N 469.570 2.452 30 10 JEEE C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@H]1CSCN1C(=O)C(C)(C)Oc1ccc(Cl)cc1 730604697 DYDABTXJCALFPR-XJKSGUPXSA-N 483.974 2.342 30 10 JEEE C#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1C[C@@H](O)C[C@@H](C(=O)O)C1 757413079 JVCVWIYWJWDXHV-DGGJZMOXSA-N 462.502 2.211 30 10 JEEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCCN2C(=O)/C=C/c2ccc(Cl)cc2)CC1 919682857 RGLXPLOYKYHBBD-MAIVGLDJSA-N 458.990 2.181 30 10 JEEE N#Cc1ccc(OCC(=O)N(CCN2CCOCC2)[C@@H]2CCSC2)cc1Br 1141597728 DRHRMYGHVJLENO-MRXNPFEDSA-N 454.390 2.366 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1CCOc1ccc(S(C)(=O)=O)cc1 1286303185 PTOPUQKFTXWEKZ-QGZVFWFLSA-N 456.572 2.080 30 10 JEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@](O)(Cc2cccc(Cl)c2)C1 1286340905 AFPADHBMHNXIGB-KKSFZXQISA-N 466.007 2.139 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCCOCC(F)F)[C@@H]1CCS(=O)(=O)C1 1286387091 AMSNCVVJFGKQHO-GOSISDBHSA-N 463.510 2.115 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1c(F)cccc1F)N(C)C 1286448405 ULYVAEPHRRHVOD-MAUKXSAKSA-N 451.543 2.221 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H](C)CN2CCCCC2)CC1 1286488837 VPPADVINQLTIPF-RLWLMLJZSA-N 486.661 2.018 30 10 JEEE C#CCSCCn1c(N2CCC(N3CCCC3=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1286513792 XSHGUWCCRUGNMT-QHCPKHFHSA-N 461.632 2.276 30 10 JEEE C=C(Br)Cn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1286535098 LSBMHQBZKXGBFU-CHWSQXEVSA-N 456.728 2.262 30 10 JEEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 1286592592 MHYRAMXTRWWOGY-SJORKVTESA-N 453.609 2.497 30 10 JEEE C=C(C)Cn1c(N2CCN(CC(=O)NC3CCC(C)CC3)CC2)nnc1[C@]1(OCC)CCOC1 1286599621 XGAPGQIFONACLT-BAWHURIHSA-N 474.650 2.323 30 10 JEEE C=C(Cl)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2c(CC)nn(C)c2Cl)CC1 1286627498 GVVXYZUVDMPUCT-MRXNPFEDSA-N 467.405 2.253 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1286672515 NXCRGJFRMPCMST-HTAPYJJXSA-N 462.620 2.268 30 10 JEEE C=CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1286826714 QRYAXEDBBPVYKL-UHFFFAOYSA-N 466.589 2.244 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@H]2CCOC[C@@H]2C)c1 1300330525 BWGVUFQIEWWTSJ-PKOBYXMFSA-N 452.559 2.145 30 10 JEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2cccc(Cl)c2)CC1 1300384177 MXRGAKLSXQYGAG-QGZVFWFLSA-N 465.023 2.277 30 10 JEEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](NC(C)=O)C1 1300412340 VWUCTFUNMAJYBE-OALUTQOASA-N 460.579 2.105 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccc(NC(=O)N(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 1300479576 PQVWEWCDNHHZES-LJQANCHMSA-N 472.615 2.344 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCn1cc(Cl)cn1)[C@@H]1CCS(=O)(=O)C1 1300499978 ZXMSUFMHLBQZFI-LJQANCHMSA-N 476.965 2.185 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1CCCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1300503236 BNGWNLDVBGBLJT-NRFANRHFSA-N 471.627 2.278 30 10 JEEE C#CCN(c1nnc(CSc2ccc(Cl)cc2)n1CC(=O)N(C)CC)[C@@H]1CCS(=O)(=O)C1 1300503497 CWZXASSGJBWGGO-QGZVFWFLSA-N 496.058 2.329 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1CCCC(=O)N(C)C 1300657680 PISHEGXRPRSVEU-UHFFFAOYSA-N 451.369 2.001 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2cnn(CC(C)C)c2C)CC1 1300717149 ZZUVRRZYUAOUFZ-AREMUKBSSA-N 497.644 2.105 30 10 JEEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1300743471 QXKQFGNVVHJJNT-ZDUSSCGKSA-N 451.394 2.459 30 10 JEEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)c1ccc(OC)cc1 1300763440 PKNGUASIYBRGQJ-YLJYHZDGSA-N 493.655 2.183 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC)cc1C(F)(F)F 1301296053 DSWJZTNUIFWBIK-KRWDZBQOSA-N 489.520 2.309 30 10 JEEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1)C1CC1 1301326760 HXPCRKQWMZIYBA-KZNAEPCWSA-N 451.637 2.223 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1CCCN1CCC(O)CC1 1301339422 NZTFJGVIZFAWTJ-QFIPXVFZSA-N 463.586 2.140 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C)on1 1301362042 AAWYSOQNPMESNW-GOSISDBHSA-N 478.600 2.210 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N(CCO)Cc1ccc(F)c(Br)c1 1301491458 RDRQBLBTJYCFBJ-UHFFFAOYSA-N 491.365 2.486 30 10 JEEE C=CCSCCn1c(-c2cccc(C)n2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1301606341 NOPDALHKLFXHTG-SFHVURJKSA-N 455.588 2.334 30 10 JEEE CS(=O)(=O)N1CCC[C@@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@@](F)(C#N)C1 1302478059 BTXSWRNPDQAQBI-FOIQADDNSA-N 484.504 2.412 30 10 JEEE CCN(CCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC2CC2)CC1)S(C)(=O)=O 1313798714 CDKFWHAUMYUSSH-UHFFFAOYSA-N 471.631 2.020 30 10 JEEE CCNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(Cn2ccnn2)CC1 1313963243 HTYNUSDJQQHZSU-UHFFFAOYSA-N 461.574 2.487 30 10 JEEE CS(=O)(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1316347475 FCZBBNLERQCLIC-UHFFFAOYSA-N 498.531 2.146 30 10 JEEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1CCCC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1358956136 AWXXCMTYAKLDKH-LEWJYISDSA-N 471.627 2.315 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H]1CCC=CO1)[C@@H]1CCS(=O)(=O)C1 1358960191 YYQUMMWUAXCPAE-RTBURBONSA-N 472.567 2.282 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 1358960234 ZYZWIGYUZJFEOG-IRXDYDNUSA-N 464.975 2.413 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H](c1ccccc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1358965047 MXWJVVSETNXKDC-GOTSBHOMSA-N 478.622 2.194 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](CC)OC)[C@@H]1CCS(=O)(=O)C1 1358967270 HELXVRBLZSGJLK-FCGDIQPGSA-N 452.621 2.248 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCc1cccc(F)c1F)[C@@H]1CCS(=O)(=O)C1 1358967870 USFJKKHAYFQWCT-UEXGIBASSA-N 494.564 2.150 30 10 JEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccnc(OC(F)F)c1 1358976276 XTMINCWETPGJNR-UHFFFAOYSA-N 485.520 2.356 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2CCCc2nnc(C)s2)CC1 1359039620 OWRAEHPYJCECJT-UHFFFAOYSA-N 467.599 2.414 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](c1ccc(C)cc1)N(C)C 1359064343 QNIPGBNANSNNBB-KKLQWCBXSA-N 458.632 2.492 30 10 JEEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1359089567 KYKISZDMUIERJR-QZTJIDSGSA-N 475.391 2.387 30 10 JEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 1359208045 DLKHUHOKGOFGHW-GUYCJALGSA-N 453.531 2.384 30 10 JEEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1cnnn1C 1359277002 ZHRUNACTIYYERJ-UHFFFAOYSA-N 467.555 2.354 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCn1cc(C)cn1 1359281964 NYDNASFFDCDMFU-IBGZPJMESA-N 475.594 2.430 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCCN(c2nc(CC)ns2)CC1 1359295232 VFARGZKMOKWZRP-UHFFFAOYSA-N 456.576 2.279 30 10 JEEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)CCC1CCOCC1 1359298541 CTGAYKXPRLDDAG-UHFFFAOYSA-N 451.531 2.149 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Br)cc2)nnc1N1CCC[C@H](C(=O)OC)C1 1359303855 CTRHSXABPJXJMN-HNNXBMFYSA-N 492.374 2.311 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCCc2ccccc2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1359334521 IVJVNHZZRGBBPH-GBXCKJPGSA-N 474.627 2.438 30 10 JEEE CN(c1nnc(-c2cccc(C#N)c2)n1CCCS(C)(=O)=O)[C@@H]1CCCN(c2cccnn2)C1 1503413601 BUGRZJLWSALNBN-HXUWFJFHSA-N 480.598 2.147 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CCCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1507639153 JOSVYVCBIJYUMW-FQEVSTJZSA-N 475.590 2.109 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(C#N)c2)n1CC1(N2CCOCC2)CC(OCC)C1 1507645488 CKTLHXALWCSUCD-UHFFFAOYSA-N 458.566 2.159 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1CCn1cc([C@@H]2CCOC2)cn1 1507646711 XPHXNJFTZQTKCY-HXUWFJFHSA-N 460.538 2.436 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCc2ccccc21 1507671313 IXJRMQWBXBGOJM-GGAORHGYSA-N 481.622 2.194 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1N(C)CCCC1(C)C 1507821318 YVAUSQOZZNHZDW-OALUTQOASA-N 468.668 2.134 30 10 JEEE C=C(C)COCCn1c(CC(C)C)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1507845260 CJXUMIZYBLLNTQ-QRVBRYPASA-N 497.662 2.196 30 10 JEEE C=CC1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1507897866 RXBRSSNQVUEGHI-XTQSDGFTSA-N 496.593 2.277 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCO[C@H](c2noc(C)n2)C1 1508090259 FOQAKVYXFBMLAD-IBGZPJMESA-N 467.530 2.045 30 10 JEEE C[C@H](Oc1ccccc1F)c1nnc(N2CCO[C@@H](C#N)C2)n1CCN1CCN(C)C(C)(C)C1 1510280503 HUDAJQMIIPFFQD-OALUTQOASA-N 471.581 2.312 30 10 JEEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCN(C)C2)C[C@@H]1NC(=O)OC(C)(C)C 1512419369 IEPSFTQRSVBZLG-HUJREVKFSA-N 481.601 2.233 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(CC)s1)[C@H]1CCS(=O)(=O)C1 1539205972 LCQCQLFYYYZUDV-JTSKRJEESA-N 478.640 2.229 30 10 JEEE C#CCN(c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@H](C)COC)[C@@H]1CCS(=O)(=O)C1 1539206265 NXEGCLHWMSNMKL-IEBWSBKVSA-N 468.583 2.244 30 10 JEEE C#CCN(c1nnc(COc2ccccc2CC)n1C[C@@H]1CCCOC1)[C@@H]1CCS(=O)(=O)C1 1539229839 ITDYBWNFBFRRKH-PZJWPPBQSA-N 472.611 2.473 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@H]1CCS(=O)(=O)C1 1539400620 ITIDEWVEECTRHP-GOSISDBHSA-N 453.568 2.322 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC[C@@H]1COCCO1 1539556636 FSCLGUULFKPXKY-KHCICDEESA-N 475.590 2.384 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(NC(=O)C(C)C)CC1 1539613141 VWOLLZOHAVNPCQ-ICSRJNTNSA-N 458.607 2.236 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](n2cncn2)C1 1540900007 IOVYWBMJBQKAHV-INIZCTEOSA-N 462.967 2.027 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 1540902677 OFFVDPZRZSTRCZ-KXBFYZLASA-N 480.553 2.303 30 10 JEEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)cc1 1566952855 IFGNQHPZHIXJGV-SFHVURJKSA-N 451.907 2.479 30 10 JEEE C#CCN(c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCOC(C)C)[C@@H]1CCS(=O)(=O)C1 1588034357 DPAGYKLNDIVESK-LJQANCHMSA-N 468.583 2.387 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)o2)n1Cc1ccc(OCCN(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 1588041035 UFVAKGOAEAZSLK-OAQYLSRUSA-N 497.621 2.462 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccc(OC(F)F)c(F)c1)[C@H]1CCS(=O)(=O)C1 1588055017 ROBFTJHGLXCEAX-CVEARBPZSA-N 484.500 2.198 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](CC)c3ccccc3)n2Cc2nncn2CC)CC1 1588891195 MZDMHGNJHULCKK-OAQYLSRUSA-N 460.586 2.446 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(=O)N(C)C 1589215891 HHWZKXPCSFAPEI-GAJHUEQPSA-N 460.579 2.057 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2noc3c2COCC3)nnc1N(C)[C@H](C)CS(=O)(=O)CC 1589527800 AWQSIIJIFCXXNM-QINHECLXSA-N 479.603 2.246 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC(N(C)C(C)=O)CC1 1595577523 VUOTVLYLAICTAW-UHFFFAOYSA-N 454.575 2.223 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2Cc2nncn2C)C1 1595721875 HHTCLPLRDJLLBH-ROUUACIJSA-N 472.594 2.351 30 10 JEEE N#Cc1ccc(OCc2nnc(N3CCCCCCC3)n2C[C@]2(O)CCS(=O)(=O)C2)cc1 1620351887 HYIHFDOZHKKRES-JOCHJYFZSA-N 459.572 2.049 30 10 JEEE N#Cc1cc(CN2CCOCC2)cn(CC(=O)NCc2ccccc2OC2CCCC2)c1=O 1643944163 CJCREUAXVQQYPM-UHFFFAOYSA-N 450.539 2.190 30 10 JEEE Cc1nn(-c2ccccc2)c(C)c1[C@@H](CNS(=O)(=O)N1CCO[C@@H](C#N)C1)C(F)(F)F 1666730832 BUKQZPYBNWFDME-DLBZAZTESA-N 457.478 2.194 30 10 JEEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 1666924190 ROUQRHOKFDHLPI-UHFFFAOYSA-N 458.384 2.341 30 10 JEEE C[C@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)Cc1cc(F)ccc1Br 1668035481 CDFKQCAZBDSCPA-LBPRGKRZSA-N 454.325 2.290 30 10 JEEE COc1ccc([C@@H](Cc2ccc(F)cc2)NC(=O)NCCn2cc(C#N)c(O)nc2=O)cc1 1677573234 CFDQLERWKAADLS-HXUWFJFHSA-N 451.458 2.251 30 10 JEEE C#CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1689921036 RMKDYZSAEDSEJH-IBGZPJMESA-N 473.599 2.380 30 10 JEEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1689932290 WWWAVIPKPFVDBR-QRVBRYPASA-N 463.579 2.240 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@@H](C)c1ncc(C)s1)[C@H]1CCS(=O)(=O)C1 1689978390 USBMYMVKLGEKOL-QAPCUYQASA-N 492.671 2.392 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1cccc(F)c1)N(C)C 1690047401 QBTCQALJVJUIDP-CTNGQTDRSA-N 457.575 2.085 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CC2(O)CCOCC2)CC1 1690112494 ZBGNFRRTTZJUCI-NRFANRHFSA-N 453.587 2.332 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2cccc(CN(C)C)c2)CC1 1690137737 HSNKIPZCPIEBQC-MHZLTWQESA-N 494.640 2.006 30 10 JEEE C=C(Br)Cn1c(N2CCN3CCOC[C@@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1690235048 VHVMSTAVWFGPGS-BBWFWOEESA-N 497.438 2.478 30 10 JEEE C=C(C)COCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1690300517 DEVUQRLSXAXFTH-MJGOQNOKSA-N 488.976 2.389 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(OCCC)nc2)CC1 1690410977 BZHSMZBWCOAQLZ-HXUWFJFHSA-N 490.630 2.246 30 10 JEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CCCCC2)CC1 1690465129 SJGDGFKIBNTUTJ-NRFANRHFSA-N 480.679 2.422 30 10 JEEE C=CCn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1690636019 BDDASLZKJIIVHC-KRWDZBQOSA-N 454.531 2.401 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCCN(CC)C(=O)C1 1690719488 NFOFNBXSMNNIPT-UHFFFAOYSA-N 482.006 2.267 30 10 JEEE C=CCSCCn1c(-c2cccc(C)n2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1690741976 CLNXQSGTABIKHJ-QFIPXVFZSA-N 455.588 2.382 30 10 JEEE CC(=O)N1CCC[C@H](Cn2c(N3CCO[C@H](C#N)C3)nnc2[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)C1 1690813908 WBKCIUYIIQOVFZ-VNTMZGSJSA-N 487.605 2.036 30 10 JEEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@@H](C(F)F)N2CCOCC2)[C@@H](C)C1 1690838170 CGWJBGNGAHVBCK-UWJYYQICSA-N 487.555 2.230 30 10 JEEE CC(C)OC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCSCC2)CCO1 1692602086 APMHGVJVZVYBGO-JOCHJYFZSA-N 486.642 2.408 30 10 JEEE CCCN(CC)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1695314373 GCHFBMMWBFYCSD-NHCUHLMSSA-N 451.575 2.411 30 10 JEEE COCCN(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1698032563 BEUJCFPZTHXHSY-NBGIEHNGSA-N 484.601 2.081 30 10 JEEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1CCNC(=O)c1ccc(C)c(F)c1 1705555993 HNBLGMCGPUCIMT-UHFFFAOYSA-N 454.531 2.217 30 10 JEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(=O)Nc1ccc(F)cc1 1705574446 DOSQGKXCHIAYQI-UHFFFAOYSA-N 493.568 2.397 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccccc1OC)N1CCCC1 1705612486 HQHRTVVZFVPBEB-FPOVZHCZSA-N 471.627 2.485 30 10 JEEE C#CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1ccc(F)cn1 1705622698 PWISSPQCQAMLNP-UHFFFAOYSA-N 471.562 2.215 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN(C)[C@@H]1c1cccs1 1705628892 RQLGDUNTHHVRSN-ZVDOUQERSA-N 491.683 2.411 30 10 JEEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@H](CN2CCOCC2)C1 1705656761 IGRWCIKJCRFTDW-IBGZPJMESA-N 471.627 2.487 30 10 JEEE C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1ccco1 1705689082 XXNJAQTXZFYQPS-GDBMZVCRSA-N 486.392 2.454 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccs2)CC1 1705698861 ZIWKIBWEBNBPLE-LMMKCTJWSA-N 480.660 2.258 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CC[C@@](C)(CC)O2)CC1 1705769534 VNGWWLIVSDJPCC-BBTUJRGHSA-N 453.609 2.115 30 10 JEEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCNC(=O)C(C)C 1705844133 WPJYJTAFZDZVCP-KRWDZBQOSA-N 450.584 2.371 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(CCc2cccs2)CC1 1705936483 RNIZVQZRAUINKI-IBGZPJMESA-N 479.672 2.199 30 10 JEEE C[C@@H]1CCC[C@@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1708036568 CGMPGEBZGFUBAB-LYHRCORUSA-N 472.615 2.133 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3csc(N4CCOCC4)n3)n2CC=C)c1 1722309777 PUOOFLSXMKBTLT-UHFFFAOYSA-N 463.567 2.480 30 10 JEEE C#CCN(c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC=C)[C@@H]1CCS(=O)(=O)C1 1722365371 DMEXFCFFSJCDCN-ZWKOTPCHSA-N 463.604 2.205 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CCOc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1722367078 URHCXYUXZYFSIM-NRFANRHFSA-N 465.579 2.278 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CCN(C)C1CCCC1)[C@@H]1CCS(=O)(=O)C1 1722370295 NBKCXUYHYBDQSK-OAQYLSRUSA-N 489.617 2.497 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@](C)(O)C(C)C)CC1 1722433489 WYMGSAADWKXQDL-DEOSSOPVSA-N 457.575 2.133 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCOC(C)(C)[C@H]1C 1722689741 YMDFPTFRSLHVKS-CYBMUJFWSA-N 451.369 2.352 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 1722697080 ICENXKDSQOBGEE-WMZHIEFXSA-N 477.617 2.204 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1 1722698847 NMKHHRUPQRKACU-WMZOPIPTSA-N 462.595 2.214 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC(=O)NCC2CC2)C1 1722725745 RQMUVKGXQBBTOT-CEXWTWQISA-N 474.606 2.356 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@@H](C)C1 1722727839 ORRKMNYHWGEHGE-MRXNPFEDSA-N 456.572 2.029 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1722730470 SYIOHILVFMEBAD-UHFFFAOYSA-N 450.996 2.206 30 10 JEEE CC[C@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1727092374 GZGNIBMQEQVCQJ-REWPJTCUSA-N 478.645 2.338 30 10 JEEE COCCN(CCC#N)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1ccc(C)nc1 1730762202 BEDZZTLAKADERU-UHFFFAOYSA-N 458.526 2.310 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1CC(=C)Cl)[C@@H]1CCS(=O)(=O)C1 1740620703 XBZXASQEGCCEIE-MRXNPFEDSA-N 450.948 2.342 30 10 JEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@H](c1cccc(C)c1)N1CCOCC1 1740658345 LAUAFSXRHRHRDE-XMMPIXPASA-N 474.609 2.245 30 10 JEEE C#CCN(CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@H]1CCCCS1(=O)=O 1740662295 IRQUQBNMKUKMRB-QGZVFWFLSA-N 462.572 2.398 30 10 JEEE C#CCN(CCOC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1c(Cl)c(C(F)(F)F)nn1C 1740679908 MLLJHOFGHYFEAM-LJQANCHMSA-N 490.914 2.470 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCS(=O)(=O)C(C)(C)C 1740688690 ZDJOKWCQFNMGIR-HDICACEKSA-N 497.662 2.348 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H]2CSCCS2)CC1 1740707139 QNHMYETWMUHIQY-SFHVURJKSA-N 476.697 2.448 30 10 JEEE C#CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1740713235 JHRVESCNFXOWSH-UHFFFAOYSA-N 463.629 2.180 30 10 JEEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)c2ccc(F)cc2)CC1 1740782492 RLAGAZKORPRPJS-KRWDZBQOSA-N 461.563 2.294 30 10 JEEE C=CCCOCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1740882370 JJBGKQRPUJVAJE-UHFFFAOYSA-N 469.011 2.446 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCCc2ccccc2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1740994851 VNBGBHZWJYYUTM-QHCPKHFHSA-N 473.599 2.085 30 10 JEEE C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCC(=O)NC(C)(C)C 1741136568 BAFRTJNXANFKFS-HOTGVXAUSA-N 460.604 2.379 30 10 JEEE CNC(=O)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1748269277 GZNTVSCMLZEGKO-IRXDYDNUSA-N 493.547 2.070 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1CCN(C)Cc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1748803450 YZPPPOQKSWQQOI-FQEVSTJZSA-N 461.607 2.473 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1ccnc(C(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 1748818340 YXQSHFXKMRJVFJ-IRXDYDNUSA-N 483.516 2.261 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCc1nccs1 1748831368 MQQMKUAHQMDULK-UHFFFAOYSA-N 468.608 2.358 30 10 JEEE C#CCN(CCOC)c1nnc(Cc2ccsc2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1748964556 GETFCOOTMMDMTQ-QGZVFWFLSA-N 457.522 2.280 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCOC2(CCOCC2)C1 1749175788 ORNOJLPVAZYUIB-UHFFFAOYSA-N 461.588 2.157 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cnn(Cc2ccccc2)c1 1749193961 UYRJFKJNCDCYIR-OAQYLSRUSA-N 485.614 2.068 30 10 JEEE C=CCC(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N(C)CC(=O)N1CCOCC1 1749374053 XGGQWHRDVMTRMC-UHFFFAOYSA-N 460.604 2.167 30 10 JEEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1CCC(OC)CC1)C1CC1 1749519446 LCIAVDJTALXEAH-QGZVFWFLSA-N 451.637 2.224 30 10 JEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(NC(=O)c2cc(C)oc2C)CC1 1749678050 UEUIDGAZBAKAMH-UHFFFAOYSA-N 494.600 2.051 30 10 JEEE CC(C)(C)OC(=O)NCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(c2ccccc2C#N)CC1 1750506887 DFXPFKMHZWJNKB-LJQANCHMSA-N 494.600 2.342 30 10 JEEE Cc1c(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@H](C(=O)NCC(F)(F)F)C2)cnn1C 1751365850 HCTWHKVTSXTVBD-KRWDZBQOSA-N 472.475 2.412 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Cl)cc2)n1CCN/C(O)=C1\N=CC=CC1=O 1760124479 SHLIVFWTQASAOD-WGLILOHCSA-N 454.918 2.495 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@@H]1CCC[C@H]1OC)[C@H]1CCS(=O)(=O)C1 1760180866 MHGMSSRHGXYTAZ-IRFCIJBXSA-N 458.584 2.396 30 10 JEEE C#CCN(c1nnc([C@@H]2COc3ccccc3O2)n1CCOCCCC)[C@H]1CCS(=O)(=O)C1 1760187860 YLEFIDNSIVYBEO-RXVVDRJESA-N 474.583 2.234 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCc2ccc(C)c(OC)c2)CC1 1760265506 CRXHDUOYHVAVGS-HHHXNRCGSA-N 495.624 2.456 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCC(=O)NC(C)C)CC1 1760266024 OGVPVARALVUQDF-GOSISDBHSA-N 484.576 2.438 30 10 JEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 1760272975 YQTGTCWPWOLNIM-GOSISDBHSA-N 460.648 2.258 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1CCS(=O)(=O)CC1CC1 1760290580 JUJKMXZVVDRQDQ-YADHBBJMSA-N 450.605 2.136 30 10 JEEE C=C(Br)Cn1c(N2CCN(C[C@H]3CCCO3)CC2)nnc1[C@@]1(OCC)CCOC1 1760313434 ALHCRIDAPILALD-YLJYHZDGSA-N 470.412 2.140 30 10 JEEE C=C(C)COCCn1c(-c2cc(Br)cn2C)nnc1N1CC(=O)N(C)[C@H](C)C1 1760350879 VIMNOHURLHMECO-CQSZACIVSA-N 451.369 2.306 30 10 JEEE CC(C)(O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(C(=O)C2CC2)CC1 1760818096 HZQYCBIPKZMNSW-UHFFFAOYSA-N 452.559 2.338 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 1764187263 HOLLBVPAXGJOHY-RTWAWAEBSA-N 495.584 2.091 30 10 JEEE CCOc1cc(C)c(S(=O)(=O)N2CC[C@H](NS(=O)(=O)c3ccccc3C#N)C2)cc1C 1858326562 HQTJYLDWXIXSTA-SFHVURJKSA-N 463.581 2.315 30 10 JEEE C=CCOc1ccccc1[C@@H]1C(C(=O)N(CCN)C(C)=O)=C(N)Oc2c1c(C)nn2CCC 1865224588 PXWNEOAMDBTTBK-FQEVSTJZSA-N 453.543 2.195 30 10 JEEE C=CCN(CC=C)C(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)c1ccc(OC)c(S(C)(=O)=O)c1 1868799292 DEOVTTHGCDVJAD-HXUWFJFHSA-N 472.563 2.346 30 10 JEEE CCCCCCCOc1cn(CCN2CCOCC2)c(CSc2nnnn2C)cc1=O 1870251278 AJLXEZYAKXLMPP-UHFFFAOYSA-N 450.609 2.346 30 10 JEEE C=CCN([C@H](CCSC)C(=O)Nc1ccc(N2CCN(C)CC2)cc1)S(=O)(=O)CC 1872275541 PAPGJHFNOINAAW-HXUWFJFHSA-N 454.662 2.336 30 10 JEEE CCN1CCN(CC#CCOC2CCN(S(=O)(=O)c3ccc(OC(C)C)cc3)CC2)CC1 1890633734 IRIXNQNBDWQBOQ-UHFFFAOYSA-N 463.644 2.284 30 10 JEEE N#Cc1ccnc(OCC2CCN(C(=O)C[C@H]3CSc4nc5c(c(=O)n43)CCC5)CC2)c1 1891291050 KGOFVNHJXSLACS-KRWDZBQOSA-N 451.552 2.353 30 10 JEEE CC(C)(C)OC(=O)N[C@]1(C(=O)N[C@@H](C(=O)O)C(C)(C)S)CCN(Cc2ccccc2)C1 2019067274 KXZAWRZTAOHDSZ-KSFYIVLOSA-N 451.589 2.434 30 10 JEEE C[C@H](CO)N(Cc1ccccc1)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2247904955 QTYHQMLSTIQVOG-OAHLLOKOSA-N 452.407 2.155 30 10 JEEE Cc1cc(S(=O)(=O)N[C@@H]2CON(C(=O)OC(C)(C)C)C2)sc1B1OC(C)(C)C(C)(C)O1 2255933919 VZNVAIIZUGMDNA-ZDUSSCGKSA-N 474.410 2.185 30 10 JEEE CCc1nc(C(=O)N[C@H]2COC[C@@H]2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2267164409 RFDKPJWUEXNGAH-STQMWFEESA-N 467.397 2.027 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)c1n[nH]c(NC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)n1 2267166999 AATBYXPVYQXXLO-JTQLQIEISA-N 464.357 2.398 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)[C@H]1CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)CCO1 2267291172 MMBGCOGICJWNNC-GOEBONIOSA-N 450.341 2.333 30 10 JEEE C[C@@H]1CC[C@@H](CNC(=O)C(F)(F)F)N(C(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2267489188 VOUGZAUAGSGASJ-NEPJUHHUSA-N 461.315 2.362 30 10 JEEE CS[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2267598009 YQYRVIULENDFRO-IRXDYDNUSA-N 463.409 2.462 30 10 JEEE C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@H](C)c1nscc1B1OC(C)(C)C(C)(C)O1 2268655627 OCCTZVXGJPJKKN-WWGRRREGSA-N 469.413 2.236 30 10 JEEE Cn1nc(C(=O)NC[C@@H]2CC[C@@H]2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2271960219 MTTYHMQYEIOIRK-STQMWFEESA-N 468.791 2.406 30 10 JEEE C[C@H](O)CN(CCNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1F)C(=O)OC(C)(C)C 2281771465 XQEICOLODXADEG-HNNXBMFYSA-N 466.359 2.473 30 10 JEEE Cc1c(C(=O)N2CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281803011 RLHNNHJCMZUQGJ-JKSUJKDBSA-N 462.400 2.403 30 10 JEEE CCON(C(=O)c1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C)C1CN(C(=O)OC(C)(C)C)C1 2281810477 PVHGEUMZBSPEFX-UHFFFAOYSA-N 464.372 2.041 30 10 JEEE Cn1nc(C(=O)N2C[C@H]3CC[C@@]3(CNC(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2281971464 JMZCVRBINKQVKG-IQMFZBJNSA-N 460.384 2.096 30 10 JEEE Cn1nc(C(=O)N2C[C@@H]3CC[C@]3(CNC(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2281971468 JMZCVRBINKQVKG-WNSKOXEYSA-N 460.384 2.096 30 10 JEEE CC(C)(C)OC(=O)N1[C@H](CNC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)C[C@@H]2OCC[C@@H]21 2282021755 PKTUEXNBCHEVJW-BPUTZDHNSA-N 479.408 2.339 30 10 JEEE CCn1cc(C(=O)NC2CC3(C2)C[C@H]3NC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2282036704 MINSBTKIZWJNDP-JNJNIUAWSA-N 460.384 2.378 30 10 JEEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H](NC(=O)OC(C)(C)C)CCC1(C)C 2282189701 BUHNAVNVLPTKIN-AWEZNQCLSA-N 463.388 2.022 30 10 JEEE CCCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H]1COC[C@H]1NC(=O)OC(C)(C)C 2282541135 TUIHJDMKAVTECI-DLBZAZTESA-N 463.384 2.219 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H](CNC(=O)OC(C)(C)C)C(C)(C)C2)n1 2282542343 IGFCOBRUBBFBEL-HNNXBMFYSA-N 462.400 2.342 30 10 JEEE Cn1nc(C(=O)NCC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2282615046 MLBYGFLYFFRCIO-INIZCTEOSA-N 462.400 2.486 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CC[C@H](C)[C@@H](NC(=O)C(F)(F)F)C1 2282690006 PAXNUFDFPLXKMX-ZFWWWQNUSA-N 457.302 2.336 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C12CCC2 2283072035 LTBLSIHEDLUMCC-OAHLLOKOSA-N 458.368 2.438 30 10 JEEE CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CCc2cc(B3OC(C)(C)C(C)(C)O3)ccc2C1 2284065652 JZOMATNERBRLGG-LJQANCHMSA-N 460.380 2.146 30 10 JEEE COC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)(C)C)C2)n1N=Cc1ccc2c(c1)OCCO2 2327878647 LLPYSFAPTFMBOI-OAHLLOKOSA-N 473.555 2.311 30 10 JEEE COc1cccc(CCc2nnc(SCC(N)=O)n2N=Cc2ccc(O)c([N+](=O)[O-])c2)c1 2328619392 OVZJFLXKHXYCLD-UHFFFAOYSA-N 456.484 2.145 30 10 JEEE C[C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)N(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)C1 2362353140 VICIACBNCIFDSU-CVEARBPZSA-N 462.400 2.485 30 10 JEEE COc1ccc(CCNC(=O)Cc2ccc(/N=C3\N[C@H]4CS(=O)(=O)C[C@@H]4S3)cc2)cc1OC 20354767 NYRXQCITAVANOY-RXVVDRJESA-N 489.619 2.095 30 10 JEEE C=CCOc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1OC 25436167 RUJJLQQKIJLWKG-UHFFFAOYSA-N 461.496 2.315 30 10 JEEE O=C(Oc1cccc(C=NNc2nc(N3CCOCC3)nc(N3CCOCC3)n2)c1)c1ccccc1 254897536 LGSCANMPYGERSL-UHFFFAOYSA-N 489.536 2.210 30 10 JEEE CC(C)n1cnnc1SCC(=O)[C@H](C#N)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 916948570 GLUDFPRTMZVPLX-SFHVURJKSA-N 490.611 2.473 30 10 JEEE COCCn1cc(C=NNc2nnc(SCC(=O)Nc3cccc(Cl)c3Cl)n2N)cn1 1084233328 ULGJJNYYNOUZMO-UHFFFAOYSA-N 484.373 2.318 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)Nc3cc(C(=O)OCC)cc(S(C)(=O)=O)c3)cc2C1=O 1126723764 VDHGXZRGXPKOHR-UHFFFAOYSA-N 456.476 2.301 30 10 JEEE C#CCCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN(S(C)(=O)=O)CC1 1286323691 LSULPWIUWJWNNH-UHFFFAOYSA-N 494.662 2.278 30 10 JEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(Cc2cc(C)on2)CC1 1286339551 NHZSNGYAXFKOFL-UHFFFAOYSA-N 497.625 2.227 30 10 JEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(S(C)(=O)=O)CCCC1 1286377510 YNUBEPBNZWCMCK-QGZVFWFLSA-N 481.619 2.013 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H](CCC)OC)[C@H]1CCS(=O)(=O)C1 1286384774 RYNIBAZJKSUNHI-OALUTQOASA-N 461.544 2.295 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2C[C@@H](OC(C)(C)C)C2(C)C)CC1 1286472176 VWMBBNYVSWWEJF-WOJBJXKFSA-N 456.635 2.499 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@]2(C)CCCS2)CC1 1286487214 SUOGUMOOCFJAPB-HSZRJFAPSA-N 460.648 2.448 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@H](CC(C)C)NC(=O)OCC)CC1 1286489919 HYIVYTDSYBJFFB-FQEVSTJZSA-N 483.617 2.410 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CCOC)[C@@H](C)C1 1286562623 LPBFMIJUPYMRGU-YFNVTMOMSA-N 463.623 2.140 30 10 JEEE C=C(Cl)Cn1c(Cc2ccccc2F)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1286629584 DYOWBNMASHDVHH-SFHVURJKSA-N 483.997 2.391 30 10 JEEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H](C)CN1CCN(CC)CC1 1286724087 DKVVGYRFWMMXBR-OAQYLSRUSA-N 467.666 2.348 30 10 JEEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCO[C@@H](CC)C1 1286787635 HMCSVEMODIKQHU-SFHVURJKSA-N 462.595 2.310 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(CC2CC2)CC1 1286825506 RKQWHYFFPTUBLR-WOJBJXKFSA-N 465.664 2.330 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CCc1ccncc1 1288851420 FIHPIWNPZHPJJL-IBGZPJMESA-N 494.625 2.114 30 10 JEEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)CCc2ccc(OC)cc2)CC1 1300357861 ZTCZEYKLVHRGBF-JOCHJYFZSA-N 478.597 2.323 30 10 JEEE C#CCCCn1c(N2CCC(CNC(=O)C(F)(F)F)CC2)nnc1[C@]1(OCC)CCOC1 1300425402 UMOPOJFVAZZNCD-FQEVSTJZSA-N 457.497 2.239 30 10 JEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc(OCCN(C)C)cc1 1300460388 URDRSYWGNVNHLI-UHFFFAOYSA-N 481.626 2.296 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccc2c(c1)OCCCO2)[C@H]1CCS(=O)(=O)C1 1300479127 IZWJBYBFOMGEPU-SFHVURJKSA-N 458.584 2.412 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CC1(SC)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1300483244 JSJKWPNCEQFSBC-QGZVFWFLSA-N 464.613 2.385 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1CCc1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 1300494149 ZBOBXWXDUNZKTH-GOSISDBHSA-N 456.959 2.258 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1CC(F)(F)CO1)[C@@H]1CCS(=O)(=O)C1 1300499400 RFGAYVGXZJQRPP-MSOLQXFVSA-N 468.501 2.059 30 10 JEEE C#CCN(CC#CC)c1nnc(COc2ccc(C)c(C)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1300591680 VWOVWGYOBYGYKE-OCOZRVBESA-N 472.549 2.463 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1SCCc2ccccc21 1300654434 XDOCWSZWGLTTBN-APWZRJJASA-N 463.629 2.005 30 10 JEEE C#CCN1CCN(c2nnc(-c3noc4c3COCC4)n2CCCN(C)C(=O)OC(C)(C)C)CC1 1300697325 AATOEWVXGBGAQQ-UHFFFAOYSA-N 485.589 2.018 30 10 JEEE COC[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCOC[C@H]2C)C1 1301282036 GSXZDNNTYOFNOZ-CTNGQTDRSA-N 454.575 2.312 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCn1c(C)nc2ccccc21 1301402794 IJTIRVRJPDDHKT-NRFANRHFSA-N 485.614 2.148 30 10 JEEE C=CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1301468692 KTNPKNJVGYKLQR-UHFFFAOYSA-N 472.571 2.300 30 10 JEEE CC(C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1Cc1ccc(S(C)(=O)=O)cc1 1302685452 FFMXQIUSMKUJFN-KRWDZBQOSA-N 480.598 2.230 30 10 JEEE CC(=O)Nc1c[nH]nc1[C@@H]1CCCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C1 1307671710 GKJHGCRNVCQZDS-IEBWSBKVSA-N 455.588 2.018 30 10 JEEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc(NC(=O)c3ccncc3)cc2)n1 1309465253 YERMUCZUPVXJNH-UHFFFAOYSA-N 453.524 2.001 30 10 JEEE CNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1314933517 CXTBWFHOKKLQKR-MZNJEOGPSA-N 452.559 2.363 30 10 JEEE COCC[C@@](C)(O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1315966668 GGGARUODUPDPRT-HSZRJFAPSA-N 451.531 2.227 30 10 JEEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N2CCCCC2)C[C@@H]1C 1316125262 HSMFIZKWZHMJBB-FQEVSTJZSA-N 465.602 2.376 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(CC)CC1)[C@@H]1CCS(=O)(=O)C1 1358956501 GSVQBHZNXOHGLT-GCJKJVERSA-N 450.605 2.136 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCC(=O)Nc1ccccc1)[C@H]1CCS(=O)(=O)C1 1358961686 DBCZDGYEEKTOQO-VQTJNVASSA-N 471.583 2.175 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@H](C)N1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1358965090 NNZJFXNXJHPDLG-RBBKRZOGSA-N 470.643 2.011 30 10 JEEE C=C(Br)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(CCOC)[C@@H](C)C1 1359086704 GKMTYPHGCMDMFH-HNNXBMFYSA-N 483.436 2.335 30 10 JEEE C=C(C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1359118450 JUUJAPPTAWARSE-UHFFFAOYSA-N 454.575 2.283 30 10 JEEE C=C(Cl)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1359152233 PUUMQXBFXFDAGP-QVKFZJNVSA-N 482.969 2.370 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@@H](OCC)C1 1359292442 PIOLTUWKOGKUPL-GOSISDBHSA-N 460.966 2.169 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C1[C@H]2CCC[C@H]12 1359300748 JHWZZYFTROTSHC-ULQDDVLXSA-N 460.579 2.123 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCC(N2CCCC2=O)CC1 1359333804 KKHNYPMUXJLFPV-UHFFFAOYSA-N 475.590 2.200 30 10 JEEE CC(=O)NC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCSC(F)(F)F)CCO1 1359451848 AOHXDROGUJGIDT-QGZVFWFLSA-N 484.504 2.323 30 10 JEEE CC(C)(C)[S@@](=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1359587718 ABMJXHOAAJGDPE-DHUJRADRSA-N 497.669 2.108 30 10 JEEE CC(C)N1CCC(O)(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCO[C@H](C#N)C2)CC1 1360138104 AUHBFSBMRWSBIU-VAMGGRTRSA-N 460.623 2.161 30 10 JEEE Cc1ccoc1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1360976280 FTQLCIUXBJAOHU-UHFFFAOYSA-N 477.569 2.325 30 10 JEEE Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N2CCN(Cc3nnnn3-c3ccccc3)CC2)cc1 1459705357 ARSFVMKRCDIYIF-OAQYLSRUSA-N 458.570 2.424 30 10 JEEE C=CCCSCCNC(=O)c1cc(-c2ccc3c(c2)OCO3)nc2c1c(O)nc(=O)n2C 1469908703 HGRBHSDPFNMUSR-UHFFFAOYSA-N 454.508 2.469 30 10 JEEE N#CC1CCN(c2nnc(CN3CCCC3=O)n2CC2CCN(CC(F)(F)F)CC2)CC1 1505321145 ICTRWCHIDVIHLW-UHFFFAOYSA-N 453.513 2.415 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@]2(C)CN(C)C2=O)CC1 1507721304 RMTQXZOZCYRQDL-IBGZPJMESA-N 463.405 2.003 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCOc2ncccc2Cl)CC1 1507736976 WXLJRLPZDPCTJT-UHFFFAOYSA-N 467.961 2.377 30 10 JEEE C=C(Br)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1507779806 HEHSBDXGCSEURK-CYBMUJFWSA-N 480.754 2.375 30 10 JEEE C=C(Br)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)CCN1CCOCC1 1507784112 IFMBTFMFSMHMOI-UHFFFAOYSA-N 491.438 2.129 30 10 JEEE C=C(Cl)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CCS(C)(=O)=O)C1CC1 1507868420 JPCGYEGYPGXXOL-MRXNPFEDSA-N 490.026 2.352 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCOc2ccc(F)cc2)CC1 1507884378 HOLWCKOZFOARSP-HXUWFJFHSA-N 479.578 2.376 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@@H](CC(N)=O)C1 1508072589 GQDKFFUAQMQZMK-OALUTQOASA-N 454.575 2.429 30 10 JEEE CN(C)C(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1516961576 AHFZFJPNWLDXBQ-LJQANCHMSA-N 451.575 2.426 30 10 JEEE C#CCN(CC#C)c1nnc([C@H](C)Oc2ccccc2F)n1CCN/C(O)=C1\N=CC=CC1=O 1539238849 DBZSGTXYJWAOOZ-BIBRTQAFSA-N 462.485 2.156 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CCNC(=O)[C@H](C)CCC)CC1 1539470796 ZVHTUTDOJGZIPG-QGZVFWFLSA-N 454.575 2.365 30 10 JEEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(S(C)(=O)=O)CC1 1539706517 LTYJYFBJOIXSPS-KRWDZBQOSA-N 469.608 2.176 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CCNS(C)(=O)=O 1539801549 CFWYPIPGOZTQCK-OAHLLOKOSA-N 477.031 2.131 30 10 JEEE C=CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCn2nc(C)nc2C1)c1ccccc1 1539940522 RJKYYDYUSCJOMO-VQIMIIECSA-N 470.603 2.168 30 10 JEEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCN(CC(=O)N(C)C2CCCCC2)CC1 1540874219 YKTJVJJVGSNRFS-UHFFFAOYSA-N 485.677 2.226 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C/C=C/c2ccccc2)C1 1540892932 UGZAAFOGIXEOHI-UJTGBVKHSA-N 473.599 2.106 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1540902995 VSJDPAFTKOSHDF-OAQYLSRUSA-N 488.589 2.458 30 10 JEEE CNC(=O)CCCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H](C(C)C)N1CCOCC1 1554462344 CQUXCCRUXUVTJH-OAQYLSRUSA-N 453.591 2.136 30 10 JEEE COCCN1C[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCS[C@H](C)C2)CC1=O 1555573989 DXUCWVUHBFCAOE-MJGOQNOKSA-N 470.599 2.165 30 10 JEEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCSC(F)(F)F)CC1=O 1555581632 HCZNTDTZOWVPBN-UHFFFAOYSA-N 454.478 2.365 30 10 JEEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@H](C)CN1CCOCC1 1587975108 NSMICIXYNDBFLY-LJQANCHMSA-N 463.586 2.274 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCCn1nc(C)cc1C)[C@H]1CCS(=O)(=O)C1 1588041092 UPKNVVPDLCGCRY-QFIPXVFZSA-N 477.594 2.347 30 10 JEEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1589109604 HEQTXMKUMDMNGK-GSHUGGBRSA-N 475.640 2.409 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1589404843 MMFCFEKBIORLKW-QGZVFWFLSA-N 469.428 2.071 30 10 JEEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1594692874 JKOBJPLXLUAMDE-KRWDZBQOSA-N 476.603 2.439 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)C(=O)NCC 1595101159 YWUWHKKOHYYOIH-HXUWFJFHSA-N 484.626 2.407 30 10 JEEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCS[C@@H](C)[C@H]1C 1595490505 UMIXKIPVEQCJQX-CVEARBPZSA-N 477.660 2.179 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(C(=O)c2ccco2)CC1 1595507104 WNKJLEFGDIKLFW-UHFFFAOYSA-N 484.944 2.465 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N(C)Cc1cc2c(cc1OC(F)F)OCO2 1595543844 AMNJFKRJKSXMOA-AWEZNQCLSA-N 479.484 2.441 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCc2nccnc2C)C1 1595688373 HTVGKDVKIQVZPB-LJQANCHMSA-N 468.583 2.471 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1595772691 GMBNYRDEHHULGB-UHFFFAOYSA-N 490.674 2.442 30 10 JEEE Cc1cccc(O[C@H](C)c2nnc(N3CCO[C@H](C#N)C3)n2CCCN2CCOCC2)c1C 1611828355 FLFNJDBLJAACRQ-NHCUHLMSSA-N 454.575 2.486 30 10 JEEE C#C[C@H](NC(=O)c1ccc(CNS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1)[C@@H]1CCCO1 1625619905 QVSPBPGTWDTZJJ-VXKWHMMOSA-N 455.536 2.034 30 10 JEEE C=CCn1c(S)nc2cc(C(=O)NC3CCN(c4nc(C)cc(O)n4)CC3)ccc2c1=O 1639127835 WOBKVEBVRDDMKJ-UHFFFAOYSA-N 452.540 2.074 30 10 JEEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)Cn2cc(S(=O)(=O)N(C)C)cn2)cc1 1643724334 CWKOBOBNVIJHQE-UHFFFAOYSA-N 456.528 2.060 30 10 JEEE CCOC(=O)c1ccc(OC)c(S(=O)(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1 1661361860 AUVGUHIZVXPQDE-SFHVURJKSA-N 457.508 2.217 30 10 JEEE C=C[C@@H]1OCC[C@H]1NC(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 1682436654 JNBZXOJGRVUMFN-RDGPPVDQSA-N 450.580 2.267 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1cccc(OC)c1 1689930457 RRWRWWSACKWKPV-SFTDATJTSA-N 473.599 2.375 30 10 JEEE C#CCN(c1nnc(-c2cccc(Br)c2)n1C[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1689981824 BXEJNVGXZXNWOX-MAUKXSAKSA-N 479.400 2.371 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1CCCc1c[nH]nc1C)[C@@H]1CCS(=O)(=O)C1 1689993162 WXLLAHUKTSQFDR-HXUWFJFHSA-N 470.574 2.299 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1CC2(CCOCC2)C1 1690006680 WYMZOIPWNYIURN-UHFFFAOYSA-N 481.622 2.475 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H](N1CCOCC1)C(F)(F)F 1690011754 BXWRVYNMEDKVDW-NRFANRHFSA-N 483.498 2.467 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc(OC(C)C)nc2)CC1 1690113256 FBJLQIHQLJPVGN-VWLOTQADSA-N 468.602 2.304 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)CC1 1690146396 MTZBQHJHAOQDGK-MJGOQNOKSA-N 474.606 2.003 30 10 JEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](C)N2CCN(c3ccccc3)CC2)CC1 1690364804 XSVXGQZXWMSMST-NHCUHLMSSA-N 487.674 2.255 30 10 JEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(CC(=O)N(C)C)CC1 1690644359 GVSBCIHOFKTZQP-SFHVURJKSA-N 462.595 2.467 30 10 JEEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(=O)OCC)CC1 1705508973 AJXKAXHIKPLHKC-UHFFFAOYSA-N 459.572 2.431 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H]1CC(=O)N(CCOC)C1 1705595326 OHHKRKZUWUIJNW-NRFANRHFSA-N 471.565 2.089 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C)Oc2cccc(C)c2)CC1 1705632120 IJEJFHDHKNJQKP-HXUWFJFHSA-N 459.554 2.457 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2Cc2nnc(C)s2)CC1 1705639528 QGXYIGHSDGGYNZ-GOSISDBHSA-N 486.646 2.356 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCc2ccc(SC)cc2)CC1 1705644638 YABXXZKRIGKZRI-UHFFFAOYSA-N 468.627 2.347 30 10 JEEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CCN(Cc2cscn2)CC1 1705691259 DAAUPFYVDZZLHV-UHFFFAOYSA-N 466.409 2.088 30 10 JEEE C=C(C)COCCn1c(COc2ccccc2OC)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1705740608 QLNQXXIGBPJFHR-MSOLQXFVSA-N 457.531 2.393 30 10 JEEE C=CC1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCC[C@H]2N2CCCS2(=O)=O)CC1 1705775733 KOWRDCMYFCBLJV-RTBURBONSA-N 464.636 2.023 30 10 JEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CCOC)[C@@H](CC)C1 1705890689 COVABKDSEHZOTR-OALUTQOASA-N 464.611 2.320 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC(O)(Cc2cccc(C)c2)CC1 1705931793 ATPRTSLOCJFESZ-UHFFFAOYSA-N 484.626 2.162 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)ccc2C)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1705938094 MPJXGXSGIDVJRA-GBXCKJPGSA-N 490.626 2.459 30 10 JEEE COc1cc(Cl)ccc1-c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CCCN1CCCO 1711681310 CEHPQUGQESGIST-QZTJIDSGSA-N 460.966 2.183 30 10 JEEE N#CCC1CCN(c2nnc(Cc3ccc(F)cc3)n2CCNS(=O)(=O)Cc2ccon2)CC1 1712885243 DTUZVXVLBSOFTO-UHFFFAOYSA-N 487.561 2.246 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCCCS1(=O)=O 1722293385 ZTLZXYNSTPIQSH-BZSNNMDCSA-N 481.619 2.012 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(c2ccc(OC)cc2)CCC1 1722382618 IVSASPCYXSPMBK-IBGZPJMESA-N 452.580 2.384 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cccnc1N1CCOCC1 1722391497 OHJOFLMJEBIJMV-AREMUKBSSA-N 478.597 2.062 30 10 JEEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H](N1CCOCC1)C(F)(F)F 1722412375 ZBAYTWNCTJIYMD-IBGZPJMESA-N 492.550 2.175 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(NC(=O)OC)c1 1722466606 ARBMRBGULJBHFK-QVKFZJNVSA-N 460.560 2.107 30 10 JEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 1722536753 ZVRHVHXUDOLGTP-SFHVURJKSA-N 462.595 2.344 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 1722537803 RBBZAZPRZULZOE-LJQANCHMSA-N 472.565 2.275 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](c2ccsc2)N(C)C)CC1 1722581742 LDOVOSGQZJYKQG-WOJBJXKFSA-N 494.687 2.378 30 10 JEEE C=CCN(CC=C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1CCS(=O)(=O)CC1 1722669731 ZOETZEUVSGZVSZ-UHFFFAOYSA-N 468.583 2.195 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCc2c(ccnc2O)C1 1722750173 LKMPEBNZRLRVOY-UHFFFAOYSA-N 450.524 2.081 30 10 JEEE COc1cccc(C(C)(C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)c1 1730209117 DFRVLYZDQNFDIB-BTYIYWSLSA-N 464.567 2.317 30 10 JEEE COCC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(O)(C(F)(F)F)CC1 1730628870 BIGREPRZBQYBKN-LJQANCHMSA-N 453.465 2.498 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2CC2([S@@](C)=O)CC2)c1 1740562349 IUCCZDHEUVXTJQ-ZUQCGGBESA-N 455.584 2.139 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H]2CCOC2)c1 1740562486 NWZMYPQOZWWKAB-CJFMBICVSA-N 467.570 2.411 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@@](C)(O)CCC)[C@@H]1CCS(=O)(=O)C1 1740627993 MEIXMWKDPNXJRN-VGSWGCGISA-N 464.563 2.174 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2CC2(O)CCCC2)CC1 1740707946 WEHBSHGYZHQDFV-UHFFFAOYSA-N 451.571 2.436 30 10 JEEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](Cc2ccccc2)C1 1740810493 DASYKNSKWUIVAI-RTBURBONSA-N 466.007 2.433 30 10 JEEE C=C(Cl)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CCOC)CC1 1740822719 OHJUUZPMLCKQPF-QGZVFWFLSA-N 471.002 2.107 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(S(=O)(=O)CC)CC1 1740953283 AIVBYLHHVWGUCU-UHFFFAOYSA-N 451.980 2.304 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 1740958254 MGFRCGHHQBVVAL-IBGZPJMESA-N 472.977 2.324 30 10 JEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCC2(C1)OCCO2 1748789931 QMLOECLBVOOSFY-ROUUACIJSA-N 461.563 2.199 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H](C)N(C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1748812630 YIHDUFFLRHGKPC-DENIHFKCSA-N 464.595 2.492 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1ccc(OCC)cc1)[C@H]1CCS(=O)(=O)C1 1748817365 JPCGEZIASPHORA-UXHICEINSA-N 458.584 2.246 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@H](C(C)C)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1748819009 ILOXNVLDJOMEFY-NHCUHLMSSA-N 490.699 2.381 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCN(C)C(=O)OC(C)(C)C)CC1 1749008877 HWDCDCPLOKCKCP-UHFFFAOYSA-N 455.563 2.106 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN1c2ccccc2C[C@@H]1C 1749053481 HXYPEGFDTIWLJA-YZZKKUAISA-N 456.616 2.332 30 10 JEEE C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1)c1ccccc1 1749242156 DGPPDCUNUSIZKJ-TUNNFDKTSA-N 488.658 2.149 30 10 JEEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccccc2OCCN(C)C)CC1 1749303076 DWKCYWOFBGPBJK-FQEVSTJZSA-N 459.616 2.325 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](CCc2ccccc2)C1 1749651037 MJLOABUZVLSLPQ-FQEVSTJZSA-N 475.553 2.066 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1749651603 YUPILXMTHLIFMI-FUHWJXTLSA-N 456.522 2.061 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCO[C@@]2(CCOC2)C1 1749657761 FDQWRHYAOKPBJG-DEOSSOPVSA-N 471.558 2.039 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Br)cc2)nnc1N1CCC(CC(N)=O)CC1 1749677867 MXCYJGNBJWDUCW-UHFFFAOYSA-N 491.390 2.014 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1749695544 DPOKKICLBHARCI-YLJYHZDGSA-N 497.415 2.039 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2cccc(C)c2C)n1CC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1760181503 WGHIGTNYNLIECW-OALUTQOASA-N 460.600 2.433 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1CCN1CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1760188572 BXJPXSXTDZRFMC-CTNGQTDRSA-N 473.618 2.367 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@]1(O)CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1760191010 ZDTAOHNURYOABB-PGRDOPGGSA-N 477.656 2.202 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@@H]1CCCOC1)[C@@H]1CCS(=O)(=O)C1 1760191774 MYNWRVLOHXOLNY-VQTJNVASSA-N 458.584 2.219 30 10 JEEE C#CCN(c1nnc(CCCc2ccccc2)n1C[C@H]1CCCN(C(C)=O)C1)[C@H]1CCS(=O)(=O)C1 1760192714 XBNNGWICGNEVLD-ZEQRLZLVSA-N 497.665 2.339 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCn1ccc2ccccc21 1760249772 SRSUPDVXMSHHDX-HXUWFJFHSA-N 455.584 2.311 30 10 JEEE C#CCSCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1760278162 ZYBAQIDUEVEWRA-ROUUACIJSA-N 455.584 2.434 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCOc2ccccc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1760325424 QSCXSEBVUBFGJK-XXBNENTESA-N 489.642 2.399 30 10 JEEE C=CCCCCn1c([C@H]2CCCOC2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1760427695 HHGWYQWAFLXMGK-NRFANRHFSA-N 472.634 2.469 30 10 JEEE C=CCCOCCn1c(-c2ccccc2OC)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1760448610 JLQRIWRVVDPODR-UHFFFAOYSA-N 451.531 2.133 30 10 JEEE CCC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCOC[C@@H]2C)CCN1CCOC 1763950881 HLRRZSIQDNEKIT-XUZZJYLKSA-N 481.645 2.475 30 10 JEEE COC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(N(C)C)CCOCC2)CC1 1769415118 CYZYCXAQADINQJ-UHFFFAOYSA-N 452.559 2.317 30 10 JEEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 1772564795 PJMORUJKLOEGAU-KRWDZBQOSA-N 451.593 2.370 30 10 JEEE CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(NS(=O)(=O)c3ccccc3C#N)nc2)cc1 1858280945 YIEDKPPZVLRCRC-UHFFFAOYSA-N 485.547 2.257 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCO)[C@H]2c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 1862697860 UGQCIZPSNAXZHB-FQEVSTJZSA-N 470.434 2.335 30 10 JEEE C=CCOc1ccccc1[C@@H]1C(C(=O)NCCO)=C(N)Oc2c1c(CC)nn2-c1ccccn1 1864326710 JEWNFEOABKPVKZ-FQEVSTJZSA-N 461.522 2.198 30 10 JEEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1ccc(N(C)C)cc1 1865723042 GFKHEGYJNVFEBY-IBGZPJMESA-N 483.613 2.321 30 10 JEEE C[C@H](NC(=O)C[C@H](c1cccc(Br)c1)c1nn[nH]n1)C(=O)Nc1ccc(C#N)cc1 1867248068 UZGHBYIRYDFYNR-YVEFUNNKSA-N 468.315 2.499 30 10 JEEE CC(=O)N(CCN)C(=O)[C@H](Cc1ccc(F)cc1)NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1 1868782520 JUWMVFXXFKORKI-FCHUYYIVSA-N 499.612 2.225 30 10 JEEE CC[C@@](C)(NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(=O)N(CCOC)CCOC 1868795148 JHJBSBAPPGBTOZ-AUSIDOKSSA-N 464.632 2.431 30 10 JEEE COc1ccc(-n2nnc(C#N)c2NC(=O)CN2C(=O)COc3ccc(Cl)cc32)c(C)c1 1870160334 MDQBIVGWMGJPCI-UHFFFAOYSA-N 452.858 2.474 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)cn1C[C@@H](C)O 1870397813 UOBYMMWPQPLSLE-QGZVFWFLSA-N 456.499 2.329 30 10 JEEE C=CCn1c(C(=O)N2CCC(O)CC2)cc2c(N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)ncnc21 1873560669 ICYOMCXYWGALQB-UHFFFAOYSA-N 491.552 2.449 30 10 JEEE CC(C)N1C[C@@H](c2nnc(SCC(=O)NCc3ccco3)n2/N=C/c2ccc[nH]2)CC1=O 1874338482 RQWDLFYUHNUNLK-CJEGQJQSSA-N 455.544 2.214 30 10 JEEE COc1ccc([C@@H]2[C@@H](C(=O)N3CC(Oc4cccnc4C#N)C3)SCC(=O)N2C2CC2)cc1 1891435326 BYUKFBLLIRYSSG-PKTZIBPZSA-N 464.547 2.399 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)[C@@H](F)C1 2124519726 MIXGVOJDFKTFAE-CABCVRRESA-N 450.320 2.309 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CC[S@](=O)(=NC(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)C1 2255532768 OVWQRXTZLMKJOL-ZDUYTPDQSA-N 471.410 2.348 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CO)CNC(=O)c1cc(Cl)ccc1B1OC(C)(C)C(C)(C)O1 2255541587 DOBOZTYLAXHMMM-CQSZACIVSA-N 454.760 2.255 30 10 JEEE COCC1(NC(=O)c2ccsc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2255647320 WXRMATYCAAWAQM-UHFFFAOYSA-N 452.382 2.413 30 10 JEEE CC(C)(C)OC(=O)NCCCOCCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2255837351 ODJBZSKLTOEKDH-UHFFFAOYSA-N 455.386 2.104 30 10 JEEE Cc1cc(CNC(=O)[C@H](O)[C@H](C)NC(=O)OC(C)(C)C)sc1B1OC(C)(C)C(C)(C)O1 2256626232 HMTGSXIBCSWRKX-DZGCQCFKSA-N 454.398 2.246 30 10 JEEE CC(C)(C)OC(=O)N[C@]1(C(=O)NCc2sccc2B2OC(C)(C)C(C)(C)O2)CCOC1 2256667033 NDQXVTGEFHXYNM-OAQYLSRUSA-N 452.382 2.347 30 10 JEEE CN(Cc1ccccc1)[C@]1(CNC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)CCOC1 2267162775 RQXQGUJXDHKOOS-QHCPKHFHSA-N 457.405 2.463 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N=[S@]1(=O)CC[C@@H](NC(=O)OC(C)(C)C)C1 2267268804 ZIUSRCNKCLQGDW-YPSMLTEGSA-N 467.397 2.230 30 10 JEEE CC(C)(C)OC(=O)N1CC2(CCC2)C[C@@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2268601871 DFBVNQFNYFQFPI-CYBMUJFWSA-N 464.397 2.377 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@H](CC(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C1 2268641160 AHMWXKSDMNBJLI-AWEZNQCLSA-N 467.397 2.085 30 10 JEEE CC(C)(C)OC(=O)N1CCN(CCNc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)CC1 2269010813 XARCKPOYRLKJIP-UHFFFAOYSA-N 450.364 2.485 30 10 JEEE CC(C)(C)OC(=O)N1[C@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)C[C@@H]2OCC[C@H]21 2282057920 NBBTVAJGDHOIAZ-IMJJTQAJSA-N 479.408 2.339 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@H]2C[C@H]1C[C@H]2NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2282176274 RLOYDVZDZQAZNT-WTTBNOFXSA-N 458.368 2.197 30 10 JEEE CCn1cc(C(=O)N2CC[C@@]3(CCN3C(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2282536890 ITCMAMZBPHLYTF-HSZRJFAPSA-N 460.384 2.428 30 10 JEEE Cn1ncc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)CC23CC3)c1B1OC(C)(C)C(C)(C)O1 2282561894 MWFFHTVBXRJZKM-INIZCTEOSA-N 460.384 2.239 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@]1(C)CO 2282593530 RVRQILZVWMVMEH-JOCHJYFZSA-N 481.424 2.195 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](C2CN(C(=O)c3ncc(B4OC(C)(C)C(C)(C)O4)cn3)C2)C1 2282611784 ALOVHPPMPDDEFF-OAHLLOKOSA-N 458.368 2.105 30 10 JEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC2(C)CCN(Cc3ccccc3)CC2)n1 2282621673 VSXIBHMIJXERSS-UHFFFAOYSA-N 453.396 2.146 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H]2OCCN(C(=O)c3ccoc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2282628154 SBBHPTHGCKBJRA-DLBZAZTESA-N 462.352 2.429 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2OCCN(C(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)cc3)[C@@H]2C1 2282666597 IKVCHWAEOVWWFH-RTBURBONSA-N 458.364 2.446 30 10 JEEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)Nc1ccc(NC(=O)OC(C)(C)C)cc1 2282837415 UQRVWMFMEHONJL-UHFFFAOYSA-N 479.368 2.262 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C)cc1NC(=O)[C@@H](CC(N)=O)NC(=O)OC(C)(C)C 2283950928 QNDWGUVDAWOIMZ-QGZVFWFLSA-N 461.368 2.310 30 10 JEEE CC(C)(C)OC(=O)NC1(C(=O)N2CCc3c(cccc3B3OC(C)(C)C(C)(C)O3)C2)COC1 2284064432 YLADCSZTFAYTHR-UHFFFAOYSA-N 458.364 2.164 30 10 JEEE C[C@@H](OCc1ccccc1)[C@H](NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1)C(=O)O 2284411374 JLECRVIIYUOGKC-UZLBHIALSA-N 475.372 2.323 30 10 JEEE CN(C)CCCN1C(=O)C(=O)C(=C(O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@H]1c1ccccc1F 2297747182 HYHFJNKUGWOUIV-OAQYLSRUSA-N 489.569 2.449 30 10 JEEE Cn1nc(C(=O)N2CC(F)(F)[C@](C)(NC(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2361915800 JYUZKKKWBGPUSX-HXUWFJFHSA-N 470.326 2.094 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@H](C)N(C(=O)OC(C)(C)C)CC2)n1C 2362486003 GZNRROAPIVUQTJ-HNNXBMFYSA-N 462.400 2.499 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC2CC3(C2)CN(C(=O)OC(C)(C)C)C3)n1C 2362488692 ZOWWEJSWNUGUKK-UHFFFAOYSA-N 460.384 2.157 30 10 JEEE CCn1ncc(N=c2ccc(B3OC(C)(C)C(C)(C)O3)c(OC)[nH]2)c1I 2365346322 RMXDDOQHMYZYNT-UHFFFAOYSA-N 470.120 2.376 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@H]2C[C@H](NC(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)o3)C[C@H]21 2369090516 SNZQCAGPXRIZFD-BFYDXBDKSA-N 462.352 2.476 30 10 JEEE CS(=O)(=O)O[C@H]1O[C@H](COC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)C1(F)F 85473294 LIAQHZDWFACWFK-JTDSTZFVSA-N 456.419 2.405 30 10 JEEE CCOC(=O)C1=C(COC(=O)CON=Cc2ccc(OC)cc2)NC(=O)N[C@H]1c1ccc(C)o1 254401121 ZZLZPYGOFOZIAO-NRFANRHFSA-N 471.466 2.362 30 10 JEEE CCN(CC)c1ccc(N2C(=NC(=O)CCCC(=O)O)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1 254901568 IPVLSJAUJHLJEC-IAGOWNOFSA-N 453.586 2.389 30 10 JEEE C=CCc1cc([N+](=O)[O-])ccc1OCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC 513582991 DGDINIKRQYNASS-UHFFFAOYSA-N 491.522 2.370 30 10 JEEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1ccc(S(=O)(=O)C[C@@H]2CCCO2)cc1 520190710 HOCCAKOWGGORJR-QFIPXVFZSA-N 498.605 2.040 30 10 JEEE COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc([C@@H]3C[C@@H]3C)o2)c(=O)n1Cc1ccccc1 610487557 POTKOWHILLNEEP-FXAWDEMLSA-N 477.586 2.330 30 10 JEEE CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1cccc(Cl)c1 729668494 KISCPYDGKVNMCO-UHFFFAOYSA-N 477.977 2.475 30 10 JEEE CCOc1ccc(C=c2c(=O)oc3n2-c2oc(N)nc2[C@@H](c2ccc(OCC)cc2)C=3C#N)cc1 1084131163 FFZYCMBHFOEUIU-NRFANRHFSA-N 470.485 2.447 30 10 JEEE COc1ccc(C=NNc2nc(S[C@H](C)C(=O)NC3CC3)n[nH]2)cc1OCn1cccn1 1084133241 QUQISGFXZQYEQZ-CYBMUJFWSA-N 456.532 2.252 30 10 JEEE CCN(CC)c1ccc(C=NNc2nnc(SCC(=O)Nc3nc(C)cs3)n2N)c(O)c1 1084556892 WIUVAMGHXYXRGF-UHFFFAOYSA-N 475.604 2.485 30 10 JEEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCN(c3cc(Cl)ccn3)CC2)CC1 1197936799 AVVYQZSATJOPBH-NRFANRHFSA-N 456.953 2.405 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1CCOCCS(C)(=O)=O 1286278543 DPWAAQSPDUPRQR-AWEZNQCLSA-N 485.404 2.235 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCCc1nnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1286383387 MIRCHQNTEDRBKW-LJQANCHMSA-N 481.607 2.236 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC(C)C)[C@H]1CCS(=O)(=O)C1 1286385172 VLLDYBOZVBBOTE-KRWDZBQOSA-N 462.572 2.254 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1C[C@H]1CCCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 1286388900 WRMXVAAAXWISJA-APWZRJJASA-N 497.042 2.050 30 10 JEEE C#CCN(c1nnc(COc2ccccc2OC)n1Cc1occc1C)[C@@H]1CCS(=O)(=O)C1 1286392734 BWJVTRDXCNOXHP-GOSISDBHSA-N 470.551 2.442 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H]2CCCn3cc(C)nc32)CC1 1286469452 GETYGBCRQCEBKK-IBGZPJMESA-N 452.607 2.034 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2Cc2cccc(NC(=O)OC)c2)CC1 1286493611 FGGNEKYANHKNGG-HXUWFJFHSA-N 466.542 2.322 30 10 JEEE C#CCSCCn1c(CCc2ccccc2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1286508412 MFRYNWYBWQECDZ-NRFANRHFSA-N 453.612 2.257 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H]1CCN(Cc2ccccc2)C1 1286509723 XFARJPQODWQXRU-LEWJYISDSA-N 473.668 2.257 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@@H](N2CCCC2)C1 1286783073 FWDSLFGSSDIAPE-GOSISDBHSA-N 454.575 2.329 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCNC(=O)OC(C)(C)C)C1 1286807690 FFCKHZWPOCHXOL-KRWDZBQOSA-N 495.584 2.498 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Br)c2)nnc1N1CCO[C@@H](COC)C1 1286815684 YWMQTNDQSBFGCD-QGZVFWFLSA-N 485.404 2.160 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1286817602 WKQHYMSOKQONCG-QGZVFWFLSA-N 495.602 2.177 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1C[C@H](C)C[C@@H]1CC 1286818812 OXLZRBFXFCSACO-SJORKVTESA-N 480.660 2.464 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC(C)(C)OC[C@@H]1C 1286820968 WPNOITUWPQLGHE-SFHVURJKSA-N 489.646 2.057 30 10 JEEE CCN(CC)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCC[C@H]2C)CC1 1295335770 GUJSIMSEPQINKC-IBVKSMDESA-N 479.629 2.358 30 10 JEEE COC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(C(N)=O)CCCC2)CC1 1299401635 CLMZVXULHRVNLT-UHFFFAOYSA-N 466.542 2.164 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1CCc1ccc(OCCN(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 1300483894 MWPDMMQQJMVPOL-OAQYLSRUSA-N 487.670 2.385 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CC1(N2CCSCC2)CCCC1 1300506224 PVHWYLZQAHACQP-UHFFFAOYSA-N 463.611 2.360 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCc2ccn(C)n2)CC1 1300700499 RGXQOJXDVJVIKS-FQEVSTJZSA-N 482.633 2.124 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C2CCN(c3ncccn3)CC2)n1CCOCCN(C)C 1300802002 FUCFJLGFZATPKY-XMMPIXPASA-N 452.607 2.022 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)[C@H](C)CC(N)=O 1300879112 ACSAVDABUJNLSI-JLHGSKIFSA-N 479.585 2.356 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(O)CCCC1 1301341332 RAMMMCNVYVPOEV-QGZVFWFLSA-N 458.588 2.258 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCC(c2nc(C)no2)CC1 1301513855 ALJOGOVUJIMZTM-UHFFFAOYSA-N 455.494 2.374 30 10 JEEE CC(C)Cc1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1CCS(=O)(=O)N(C)C 1302949583 HZXNOIITDHOMGR-UHFFFAOYSA-N 480.038 2.220 30 10 JEEE Cc1nn(C)c(N2CCN(c3nnc(C(C)C)n3CCCN3CCCCCC3=O)CC2)c1C#N 1304730344 CZWFHIDTXWVXOS-UHFFFAOYSA-N 467.622 2.434 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1Cc1c(C)nn(C)c1C 1305782959 GRWBGJJDDWTUDH-UHFFFAOYSA-N 490.616 2.188 30 10 JEEE CN(C)C(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCCS2)CC1 1314642361 GIMIIXBVSVIHJZ-FQEVSTJZSA-N 453.616 2.313 30 10 JEEE COCC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nccc(C(F)F)n2)CC1 1315753739 BIPVSMRSUHZDDS-UHFFFAOYSA-N 482.495 2.324 30 10 JEEE N#Cc1ccc(-c2nnc(N3CCC(O)(C(F)(F)F)CC3)n2Cc2ccc(C(N)=O)nc2)cc1 1316529774 GVQFGUVXVOWUBV-UHFFFAOYSA-N 471.443 2.253 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CC(F)(F)CO1 1358877188 YMNBCTVIHQFOGQ-HOCLYGCPSA-N 453.515 2.078 30 10 JEEE C#CCN(C)c1nnc(COc2ccc(C)cc2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1358952937 DMSOYIVKFWMARY-PZJWPPBQSA-N 457.600 2.439 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@](C)(O)c1cc(C)oc1C)[C@H]1CCS(=O)(=O)C1 1358961374 XMHVQESDZFLKOV-MBSDFSHPSA-N 469.567 2.084 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(O)CCc2ccccc21 1358979234 HFNBVJLBJUOOAR-AMGIVPHBSA-N 491.592 2.493 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCn1cc([C@@H]2CCOC2)cn1 1358986255 RHWUOGCZZFIBKY-PXDATVDWSA-N 466.586 2.182 30 10 JEEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)Nc2ccccc2CC)CC1 1359121791 JDRJUCWBFJAOKV-HXUWFJFHSA-N 486.642 2.079 30 10 JEEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 1359337563 VWNGXIURWHHIRM-HZPDHXFCSA-N 488.680 2.301 30 10 JEEE C=CCSCCn1c(COc2ccccc2F)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1359346898 ZBZTZQRBAYWCDO-UHFFFAOYSA-N 474.562 2.436 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@@H](c2nnc(N(CCC#N)CC3CC3)n2CCNS(C)(=O)=O)C1 1359555909 FQKNPUUQAXDKTI-GOSISDBHSA-N 495.650 2.072 30 10 JEEE COc1ccc([C@@H]2[C@H](C(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CCC(=O)N2C)cc1 1447480876 GZBLIQXRUGCHKN-RDPOXOKHSA-N 456.543 2.480 30 10 JEEE CC#CCN(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 1450472658 YRTJEVQIDAOACZ-NRFANRHFSA-N 454.508 2.447 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)cc1SC 1507536739 DSXJPASGGWOWLR-WMZOPIPTSA-N 463.629 2.148 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@@H](C)NC(=O)OC(C)(C)C)c1 1507547426 LBBBACLNVORABU-QGZVFWFLSA-N 497.600 2.386 30 10 JEEE C#CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1507562140 HBVGFXUQWITWTO-IBGZPJMESA-N 461.574 2.417 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1507628141 VCMYLQVLGRWYLI-WMZOPIPTSA-N 494.017 2.177 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H](c1ccco1)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1507631326 OBKMCFKLFJVKMX-ICSRJNTNSA-N 483.598 2.038 30 10 JEEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1CCc1cn[nH]c1)[C@H]1CCS(=O)(=O)C1 1507639288 KCSXHFFPWDHIFO-FQEVSTJZSA-N 468.583 2.066 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCO[C@@H]1c1ccccc1 1507688712 DBMXTXPPGRQSLO-BHIFYINESA-N 487.626 2.238 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCCN(C)C2CCCCC2)CC1 1507733119 OZHUHUYSJRUJIB-GMAHTHKFSA-N 458.651 2.412 30 10 JEEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2ncccc2C#N)CC1 1507743658 IDVLHAUTCVNCSW-UHFFFAOYSA-N 466.615 2.156 30 10 JEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@@H](c2ccccc2)C1 1507746070 KEZHYKKJQLBYHR-JENIJYKNSA-N 463.629 2.221 30 10 JEEE C=CCCOCCn1c(N2CCN(C(=O)NC)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1507965133 BOAYPWLUGVLQRI-HDICACEKSA-N 477.610 2.103 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCN(C)C(C)(C)C1 1508002326 DTVFNRBHTKMCDH-QFIPXVFZSA-N 486.686 2.399 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1CC1CCS(=O)(=O)CC1 1508040200 UIBYKTJRVGAHSD-FQEVSTJZSA-N 462.572 2.254 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(CC(F)F)CC1 1508071664 DPHPRLMMTBQANI-UHFFFAOYSA-N 456.444 2.236 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 1508087300 OTCCEEXPLXJHGF-UHFFFAOYSA-N 451.575 2.322 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc3ccccc3o2)nnc1N1CCC(NC(=O)COC)CC1 1508135098 YMSIJKKTUZGCNH-UHFFFAOYSA-N 487.582 2.024 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCN(c2ccc(C)cc2)C(=O)C1 1508144252 ONTVWYGGHBUGSH-UHFFFAOYSA-N 480.594 2.026 30 10 JEEE COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@H]2CCO[C@H](C)C2)CC1 1518641686 CSFUOVPOUNCYGQ-MOPGFXCFSA-N 452.559 2.317 30 10 JEEE N#Cc1ccc(N2CCC[C@H](NC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)C2=O)cc1 1538383621 HTBDUHDKNUQUNG-NRFANRHFSA-N 452.536 2.268 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2Cc2c(CC)noc2C)c1 1539042557 IDSROEHWQNFFQO-HXUWFJFHSA-N 461.526 2.193 30 10 JEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C[C@@H]2CCOC2)C1 1539072624 SPIIGYGVIAUBFB-ACRUOGEOSA-N 479.647 2.058 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC(O)(CC)CC)[C@@H]1CCS(=O)(=O)C1 1539203586 SJMNURDFPCBLRI-HXUWFJFHSA-N 487.626 2.325 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CC1(CCOCC)CC1)[C@@H]1CCS(=O)(=O)C1 1539219481 CVLRYNDEMNCRFG-RBUKOAKNSA-N 450.605 2.006 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H]1CC[C@](C)(CC)O1)[C@H]1CCS(=O)(=O)C1 1539224883 JPQBYCUCDHCHND-JTAQYXEDSA-N 457.600 2.238 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CCNC(=O)c1cccs1 1539414833 ZPOXWJVQEWDUQQ-UHFFFAOYSA-N 477.550 2.171 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2CC=CCO2)CC1 1539470181 LGTMPQZDVBSOTR-KRWDZBQOSA-N 473.375 2.347 30 10 JEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@H]1CCCN(c2ccccc2)C1 1539497695 OEYJABHYCDDQAR-ICSRJNTNSA-N 476.672 2.360 30 10 JEEE C=C(Br)Cn1c(N2CC[C@@H]3OC(=O)O[C@@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1539609613 QJZLYAQQFMSVAS-PMUMKWKESA-N 457.325 2.341 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1539615351 HQYZVSUZPSWWQI-MLYOOKFZSA-N 456.547 2.147 30 10 JEEE C=C(C)Cn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1539685284 ZDMXMEIDMFCZNV-OAQYLSRUSA-N 498.628 2.374 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCCN(C(C)=O)CC1 1540865225 YNYMHUADUIBFNI-INIZCTEOSA-N 456.616 2.492 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@H](C(F)F)C1 1540901566 IBMNDXYDLDPCAA-ZDUSSCGKSA-N 457.503 2.088 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1540903000 VYLWACNOWKUDTD-KSZLIROESA-N 483.635 2.122 30 10 JEEE C[C@@H]1CN(CCCn2c(-c3cccc(C#N)c3)nnc2N2CC[C@](C)(C(N)=O)C2)C[C@@H](C)O1 1545093551 FKBYWNDWFJBTKK-GGUMNFRJSA-N 451.575 2.018 30 10 JEEE N#Cc1ccc(N2CCC3(CC2)C[C@H](C(N)=O)N(C(=O)c2ccncn2)C3)cc1C(F)(F)F 1548379988 NHNVQZRFUIEFRZ-GOSISDBHSA-N 458.444 2.354 30 10 JEEE COc1ccc(-c2nnc(N3CCC(C#N)CC3)n2C[C@H]2CCCN2S(C)(=O)=O)cc1OC 1554841660 BIQAMLICDZFPJH-GOSISDBHSA-N 474.587 2.126 30 10 JEEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1587718987 SBVCVMAZIZPVNM-FQEVSTJZSA-N 498.653 2.494 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1CCCOCC(C)C)[C@@H]1CCS(=O)(=O)C1 1588045561 MQSBLDWORIUWFG-HXUWFJFHSA-N 488.610 2.406 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@@H](N2CCOCC2)C(F)(F)F)CC1 1588769680 XCHZKPGTXRFCDA-OAQYLSRUSA-N 487.530 2.225 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3noc4c3COCC4)n2C[C@@H](OC)C(C)(C)C)CC1 1588923541 CTPVWWDUZAJTJG-LJQANCHMSA-N 470.574 2.033 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1CC(=O)NCCc1ccccc1 1589142269 DUSUMTRZQVYFDN-RUZDIDTESA-N 457.538 2.276 30 10 JEEE C=C(Br)Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1589289537 UEWRTHOVXWATBK-WMLDXEAASA-N 469.428 2.262 30 10 JEEE C=CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1594760733 OGXHZONDAIOKQK-QFIPXVFZSA-N 463.586 2.438 30 10 JEEE C=CCN(CCOC)c1nnc(-c2cnccn2)n1Cc1ccc(N2CCOCC2)c(F)c1 1595291931 SXRZVLZPLVWCQF-UHFFFAOYSA-N 453.522 2.398 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@H](C)[C@H](OC)C1 1595466704 MEOFPJROWXTVQJ-MAUKXSAKSA-N 460.966 2.025 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@]2(O)CCN(C)C2)C1 1595720827 BYBHEUCWXLQCHU-CPJSRVTESA-N 490.649 2.241 30 10 JEEE Cc1nc(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCC(C(=O)NCC(F)(F)F)CC2)n[nH]1 1612419092 CYTOBCPHCANXDU-UHFFFAOYSA-N 487.490 2.381 30 10 JEEE CCN(CC)C(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCO2)CC1 1615343642 COVXGMGMNMWQPX-NRFANRHFSA-N 467.574 2.492 30 10 JEEE CCOCc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1C[C@H]1CCOC[C@H]1OC 1616910021 AROCSDWXSSSICX-DYESRHJHSA-N 458.538 2.203 30 10 JEEE CO[C@]1(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CCN2CCOC(C)(C)C2)CCOC1 1619061703 FPPZLMICHNLXQR-VWLOTQADSA-N 484.601 2.081 30 10 JEEE C[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)c1ccc(N2CCCNC2=O)cc1 1628727682 GJRUJZQEOZAHJG-JKSUJKDBSA-N 455.540 2.022 30 10 JEEE C=CC[C@H]1CCCN(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1 1641030154 RZULKYAROIGSMC-SFHVURJKSA-N 451.564 2.254 30 10 JEEE COCCN(C1CCN(C(=O)OCc2ccccc2)CC1)S(=O)(=O)N(C)C[C@H](C)C#N 1662884378 FCDJGUZNIXMPDR-GOSISDBHSA-N 452.577 2.072 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C)n2CC[C@H](N2CCOCC2)C(F)(F)F)c1 1689868309 CGQCGVJCAARJSS-IBGZPJMESA-N 464.492 2.296 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCc1c[nH]nc1C)[C@@H]1CCS(=O)(=O)C1 1689998657 SKJDACXDKQMRJW-NJDAHSKKSA-N 488.658 2.488 30 10 JEEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCOC1CCOCC1 1690072900 YNLXWHFLRWXFBF-UHFFFAOYSA-N 460.604 2.283 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2csc(N3CCOCC3)n2)n1CCC(=O)N(C)C 1690089974 RXOCJTXKOHNZLG-UHFFFAOYSA-N 497.600 2.495 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(CC)CC)n1C[C@H](N1CCOCC1)C(F)(F)F 1690188086 DHODPSUBVWAOFC-LAUBAEHRSA-N 470.540 2.452 30 10 JEEE C=C(C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1690277092 BYPJBHULRLKKHK-UHFFFAOYSA-N 488.570 2.178 30 10 JEEE C=CC[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](S(C)(=O)=O)C1)c1ccccc1 1690444540 JDDRQURAJVNXSM-AABGKKOBSA-N 478.640 2.163 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@H](C)c1cc2ccccc2o1 1690659645 ZAVOZJZNRYCHEI-HUUCEWRRSA-N 460.560 2.134 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](CNC(C)=O)C1 1690683854 XVJNLQBSRHXWMB-NHCUHLMSSA-N 455.559 2.127 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCOC3(CCCCCC3)C2)nnc1[C@]1(OCC)CCOC1 1690732059 UTAYQDMBKLFXBY-QHCPKHFHSA-N 482.647 2.461 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccc(OC(C)(C)C)nc1)[C@@H]1CCS(=O)(=O)C1 1705564650 DLQQUFSLJSLJNU-RTBURBONSA-N 473.599 2.029 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1nc(C(F)(F)F)cs1)[C@@H]1CCS(=O)(=O)C1 1705564899 FJNBTSXVQCZZHP-UONOGXRCSA-N 489.545 2.322 30 10 JEEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@H](C)c1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1705568330 LGYXDZASEJXSTJ-FPOVZHCZSA-N 469.611 2.139 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H]1CC[C@](C)(CC)O1)[C@@H]1CCS(=O)(=O)C1 1705568942 AZKSVFCHTUYRII-QTEQDKRBSA-N 457.600 2.238 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@@H](CC(C)C)N(C)C)[C@H]1CCS(=O)(=O)C1 1705569383 GNWQYIVAENTZAH-VQTJNVASSA-N 478.688 2.237 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1CC1(COC)CCCCC1)[C@H]1CCS(=O)(=O)C1 1705572191 TWZZTERSUIUBSW-RBUKOAKNSA-N 450.605 2.353 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(C(=O)N3CCCC3)n2Cc2cccc(F)c2)n1 1705630823 IALIHZQERQLRFM-UHFFFAOYSA-N 465.533 2.184 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2CCN2CCOC(C)(C)C2)CC1 1705649595 BGWIVEFYILBEHY-UHFFFAOYSA-N 470.643 2.007 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccs2)CC1 1705698863 ZIWKIBWEBNBPLE-SCTDSRPQSA-N 480.660 2.258 30 10 JEEE C=CCOc1ccc(Cn2c(N3CCC[C@@H](C(N)=O)C3)nnc2[C@@]2(OCC)CCOC2)cc1 1705911009 VOQJGDKXEVIAAW-NTKDMRAZSA-N 455.559 2.245 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Br)c2)nnc1N1CC[C@@H](C(=O)OC)C1 1705931671 XIXVSHDZNBNBSY-OAHLLOKOSA-N 483.388 2.308 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CCN(c2ccccn2)CC1 1705938391 XGRBUVNKEPKWBV-UHFFFAOYSA-N 486.573 2.319 30 10 JEEE CCN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1710166261 FKWHSESIMADKQY-RTBURBONSA-N 474.631 2.187 30 10 JEEE CCO[C@@H](CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1)C(C)C 1710409268 GLEJTBMUZLLZCH-VQTJNVASSA-N 482.651 2.192 30 10 JEEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ncnn2C(C)(C)C)C[C@H]1C 1712485531 BQVCLCQYZCRJFR-GOSISDBHSA-N 463.590 2.368 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CCCCS1(=O)=O 1722277897 JTEJOXZNVQXCFS-ZFWWWQNUSA-N 454.394 2.471 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CCCC2CCOCC2)c1 1722308916 HVCBQXYUWGUABC-OAQYLSRUSA-N 464.570 2.492 30 10 JEEE C#CCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1722313351 UUUVZEMFANEAMT-UHFFFAOYSA-N 479.566 2.260 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CC[C@]2(CCOC2)O1 1722413236 KFSYBTBVGBBAID-AXHZCLLHSA-N 475.590 2.384 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(C)c(Br)c2)n1CCCn1cnnn1 1722420655 LCHPFOTWHBNYGU-UHFFFAOYSA-N 459.352 2.179 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccc(OC)cc3)n2CCn2ccnc2C)CC1 1722448919 CYHGRZJRNZXXBT-UHFFFAOYSA-N 475.597 2.243 30 10 JEEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1722456305 WRJXHUIQDSJUOO-UHFFFAOYSA-N 469.659 2.221 30 10 JEEE C=C(C)COCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(CC)[C@H](C)C1 1722531641 VOBXXOWNROPIKO-LJQANCHMSA-N 476.647 2.319 30 10 JEEE C=C(C)COCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1722533800 ZWMJCMGLDNDEDZ-KRWDZBQOSA-N 451.568 2.071 30 10 JEEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1ccc(C)o1 1722538320 WUVHLDKVJZDCFY-QUCCMNQESA-N 479.603 2.447 30 10 JEEE C=C(C)Cn1c(N2CCC(CC(=O)N3CCN(CC)CC3)CC2)nnc1[C@@]1(OCC)CCOC1 1722553212 IMWITTRRUACBTJ-RUZDIDTESA-N 474.650 2.277 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1722689422 SYFSMKVBSQFSSY-QGZVFWFLSA-N 473.375 2.211 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1722693505 QBGWRCBBCOKDEY-UKRRQHHQSA-N 482.354 2.389 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1722729711 UXSKJQACKPXBHO-QFIPXVFZSA-N 484.626 2.188 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@H](c1ccccc1)N1CCCC1 1723933231 DMUPTAQTBXHNPA-LQBOVUBWSA-N 475.594 2.167 30 10 JEEE C[C@H]1CC(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(S(C)(=O)=O)CC2)C[C@H](C)O1 1726476495 CFNXJXJUQGMLRE-IRXDYDNUSA-N 458.588 2.102 30 10 JEEE CCC(CC)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)CC1)N(C)C 1727164012 FNHDJSPSVZEJNF-OAQYLSRUSA-N 473.647 2.265 30 10 JEEE CCCC(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1727892367 DJBJVFLWZVITMR-UXHICEINSA-N 484.626 2.384 30 10 JEEE CCn1nc(-c2nnc(N(C)[C@@H](C)CC#N)n2CCN2CCSCC2)c2ccccc2c1=O 1728639589 CQHLVOZUICBFGZ-KRWDZBQOSA-N 466.615 2.462 30 10 JEEE CN(C)S(=O)(=O)c1ccccc1Cn1c(-c2ccccn2)nnc1N1CCC(C#N)CC1 1729341338 AAYWIPRULMKNME-UHFFFAOYSA-N 451.556 2.379 30 10 JEEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCOc2cccc(Cl)c2)C1 1731180814 DTKHCFIRIGRYFF-AUUYWEPGSA-N 453.927 2.355 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@@H](SCC)C1 1740591884 QSSKPSIHHPPQRE-QZTJIDSGSA-N 455.650 2.136 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1ccc(-c2nc[nH]n2)cc1)[C@@H]1CCS(=O)(=O)C1 1740625217 DSYDQOKLZWYVNZ-LJQANCHMSA-N 467.599 2.327 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@H]1CCSC1)[C@H]1CCS(=O)(=O)C1 1740626000 QZPPBHULDCTZOB-MJGOQNOKSA-N 460.625 2.257 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(OC[C@@H]2CCCCO2)CC1 1740717734 ZQPSLYMGNIOJHM-QUCCMNQESA-N 482.672 2.101 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC(O)(C(F)(F)F)CC1 1740762760 GFACEQMGJBIQIU-QAPCUYQASA-N 457.497 2.275 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1740821629 HSDWPNDKLPLNAM-KXBFYZLASA-N 462.016 2.005 30 10 JEEE C=CCCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCN(C(=O)NC)CC1 1740865077 IMWKVYAVOUDUIV-UHFFFAOYSA-N 480.661 2.461 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1Cc1c(F)cccc1Cl)[C@H]1CCS(=O)(=O)C1 1748805453 SBKLHEWFHKDXRB-AOMKIAJQSA-N 496.992 2.398 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1CCCN1CCCO[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1748820015 XHQHRKGBCZEKSM-LADGPHEKSA-N 499.681 2.305 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(Cl)s1 1748892643 UFBJZQWEEXFHTM-QGZVFWFLSA-N 482.031 2.032 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(F)cc3Br)n2CC2(S(C)(=O)=O)CC2)CC1 1748982865 FCOGQBJBSSRGBQ-UHFFFAOYSA-N 496.406 2.179 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2C[C@H](N2CCOCC2)C(F)(F)F)CC1 1748993044 NZFOQKPJBFUJEO-NRFANRHFSA-N 476.547 2.196 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2CCCN2CCCO[C@@H](C)C2)CC1 1749016328 ASTYFJMUTALXAV-NRFANRHFSA-N 496.631 2.475 30 10 JEEE C#CCSCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCN(C(=O)OC)CC1 1749032938 VRLDODFQQJQVNN-UHFFFAOYSA-N 495.609 2.491 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1c(C)noc1C 1749119333 QDSNGPZROWSDOV-LESCRADOSA-N 452.581 2.111 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2cccc(C)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1749136004 KGMVGBBVBKMZFX-BWKNWUBXSA-N 482.629 2.357 30 10 JEEE C=C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC[S@](=O)CC)CC1 1749293429 NBDWMKQCTNWEDJ-GDLZYMKVSA-N 451.618 2.120 30 10 JEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2cccc(F)c2F)CC1 1749428063 YGPPZDCLGOWZKO-IBGZPJMESA-N 496.584 2.182 30 10 JEEE C[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(C#N)C1)Oc1ccccc1 1751142580 FLODBZWOPAFMFE-KKLQWCBXSA-N 488.614 2.209 30 10 JEEE C[C@@H]1OCC[C@]12CN(c1nnc(-c3ccc(C#N)cc3)n1CCS(=O)(=O)C(C)(C)C)CCO2 1752445569 GYIALFLNTMVCCN-SBUREZEXSA-N 473.599 2.414 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@](C)(O)CCC)[C@@H]1CCS(=O)(=O)C1 1760182421 FQHJPTBXOAURIH-NQIIRXRSSA-N 461.544 2.031 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC[C@@H]1CCO[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1760189405 OWIYSPFYKLXEQO-VAMGGRTRSA-N 457.600 2.480 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1CCNC(=O)c1ccco1 1760243305 FKTUSRBTGZFICE-UHFFFAOYSA-N 464.501 2.202 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CC[C@@H](OC)C(F)(F)F)CC1 1760270233 VAMOQXPZCJBNKP-IAGOWNOFSA-N 457.497 2.453 30 10 JEEE C=CCCCn1c(COc2ccccc2OC)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1760443598 JRQDWUATUFEWPJ-UHFFFAOYSA-N 454.531 2.353 30 10 JEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 1760450705 PVQNFPLCOBPSDT-GOSISDBHSA-N 493.655 2.105 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC(CCN2CCCC[C@H]2C)CC1 1760514484 HFBMFPYLZGMRQW-LJQANCHMSA-N 459.639 2.199 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)ccc2Br)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1760517289 INMIQTUJCRNEBF-GDBMZVCRSA-N 494.390 2.259 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC(C(=O)Nc2ccccc2)CC1 1760525333 BIQMWMZREGCFAF-UHFFFAOYSA-N 459.554 2.421 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2cccc(C(=O)N(C)C)c2)C1 1760536081 CAJHPFOLBHPLJZ-PXDATVDWSA-N 469.586 2.462 30 10 JEEE CN(C)C(=O)CCCn1c(COc2ccc(F)cc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1766859132 CMCUJEXOZILTSY-UHFFFAOYSA-N 492.559 2.458 30 10 JEEE CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1CCNC(=O)c1ccco1 1768213849 FLNHXUIBDNJZKV-INIZCTEOSA-N 470.555 2.099 30 10 JEEE Cn1nncc1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 1769088801 FDAADAPAEBLRRZ-IBGZPJMESA-N 491.600 2.284 30 10 JEEE COc1ccc2nc(N3CCN(S(=O)(=O)c4ccc5nc(O)[nH]c5c4)CC3)c(C#N)cc2c1 1857959644 KSNLJZMACMXLAV-UHFFFAOYSA-N 464.507 2.208 30 10 JEEE C[C@H](NC(=O)C[C@@H](c1cccc(Br)c1)c1nn[nH]n1)C(=O)Nc1cccc(C#N)c1 1867246518 GHAVWMMCUNCZBW-SJCJKPOMSA-N 468.315 2.499 30 10 JEEE COC(=O)CSc1nnc([C@H]2CC(=O)N(Cc3ccccc3)C2)n1/N=C/c1ccc(O)c(O)c1 1874211829 WONDKEGDNKPTDX-PKOLSWDWSA-N 481.534 2.353 30 10 JEEE CN1CCN(CC#CCOC2CCN(C(=O)c3ccc4c(c3)ncn4Cc3cccnc3)CC2)CC1 1890174119 VUVMSTAYXYLPGI-UHFFFAOYSA-N 486.620 2.352 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CCN(S(=O)(=O)c2ccc(C#N)nc2)CC1 1965812119 QAPMLTXZKLJDTL-UHFFFAOYSA-N 495.602 2.432 30 10 JEEE C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1cc(B2OC(C)(C)C(C)(C)O2)cs1 2256624840 YOPJBGLMORWPQZ-BBRMVZONSA-N 454.398 2.280 30 10 JEEE CC(C)(C)OC(=O)NC[C@H](CC1CC1)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2256629152 QOGXWVUJMBMUTC-ZDUSSCGKSA-N 452.386 2.139 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1C(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)cs1 2256678699 QIMSFDAKMVWWKN-JKSUJKDBSA-N 452.382 2.203 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@H](CNC(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)C1 2266997554 NDDTXPRGAMWHMD-CQSZACIVSA-N 467.397 2.056 30 10 JEEE C[C@H]1CC[C@@H](NC(=O)C(F)(F)F)CN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2267367877 AFBCDEGZUNXMMY-NWDGAFQWSA-N 482.355 2.267 30 10 JEEE C[C@@H]1[C@H](NS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2267468741 MHAQIGPDUCXNOY-ZIAGYGMSSA-N 487.453 2.260 30 10 JEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1C[C@@H](O)C[C@@H]1CNC(=O)OC(C)(C)C 2267518393 FFZVNQRAFJFWPF-CABCVRRESA-N 466.409 2.456 30 10 JEEE CC(C)(C)OC(=O)NCc1cc(C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)n[nH]1 2268613039 NRLPUSIWZJMWNB-UHFFFAOYSA-N 463.369 2.120 30 10 JEEE CN(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc(B2OC(C)(C)C(C)(C)O2)ccc1Cl 2268633570 SUSYRQUWYSJNBM-CQSZACIVSA-N 468.791 2.428 30 10 JEEE CCn1cc(C(=O)N2CC(C3CN(C(=O)OC(C)(C)C)C3)C2)nc1B1OC(C)(C)C(C)(C)O1 2282032205 CQRQLCHGRVEGGY-UHFFFAOYSA-N 460.384 2.141 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NCCC1(O)CN(C(=O)OC(C)(C)C)C1 2282122624 JSUGOCCXYLWRNE-UHFFFAOYSA-N 460.380 2.396 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2282178870 PUCAPCFFFNSIJL-WNSKOXEYSA-N 458.368 2.295 30 10 JEEE Cc1cc(S(=O)(=O)N2CC[C@H](NC(=O)C(F)(F)F)[C@H](C)C2)sc1B1OC(C)(C)C(C)(C)O1 2282327325 GJFGIQSNBUBMND-OLZOCXBDSA-N 496.382 2.433 30 10 JEEE CN(C(=O)OC(C)(C)C)[C@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CC12CC2 2282484416 IYDLQKSZQNDOPA-INIZCTEOSA-N 460.384 2.191 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)c3cscc3B3OC(C)(C)C(C)(C)O3)C[C@H]2[C@@H]1CO 2282521292 YKSPWOXAHSDBGV-DAYGRLMNSA-N 478.420 2.347 30 10 JEEE Cn1cc(C(=O)N[C@@H]2C[C@H]3C[C@H]2C[C@@H]3NC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2282545141 HEEDOEIUMLLYBE-JJXSEGSLSA-N 460.384 2.141 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCC[C@H](NC(=O)C(F)(F)F)[C@H]2C)n1 2282550783 DHAVVAYCSSYNPP-HIFRSBDPSA-N 455.286 2.361 30 10 JEEE Cc1c(C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282554567 GAUJJBHQMFUKSD-HOCLYGCPSA-N 462.400 2.403 30 10 JEEE CC1(C)OB(c2ccc(C(=O)NCC3(O)CCN(Cc4ccccc4)CC3)nc2)OC1(C)C 2282672855 NMZSYDZPJAYTGG-UHFFFAOYSA-N 451.376 2.138 30 10 JEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@@H]1CNCCN1Cc1ccccc1 2282829916 MLEXSYDRPFSPOR-IBGZPJMESA-N 491.488 2.108 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](NS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C12CC2 2282867632 BLLOZYFEXBWRAP-KRWDZBQOSA-N 479.408 2.201 30 10 JEEE CC(C)(C)OC(=O)N[C@]1(C(=O)NCc2cc(B3OC(C)(C)C(C)(C)O3)ccc2F)C[C@H](O)C1 2284062231 JKYURNKISDERDA-PAVFIEEWSA-N 464.343 2.159 30 10 JEEE CN(Cc1ccccc1)C[C@@H](NC(=O)c1cc(F)ccc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284494861 SFYXMFLNWNLJMI-HXUWFJFHSA-N 456.323 2.440 30 10 JEEE Cc1nc(I)c(I)n1C[C@@](N)(C#N)[C@H]1CC1(F)F 2327121550 FGQKKYMRDSRCTM-MUWHJKNJSA-N 478.022 2.277 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NS(=O)(=O)c1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2359283147 LGKZNGJBRGGMBZ-DOPJRALCSA-N 482.383 2.411 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1C 2362332018 KZXOFTPMXOYJMV-HZPDHXFCSA-N 462.400 2.451 30 10 JEEE Cn1cnc(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 2362351034 ZUVRNPDPIQFHMG-FPCVCCKLSA-N 460.384 2.141 30 10 JEEE CCCNC(=O)CN1CCN(/C(=N/c2ccc(C(=O)O)cc2)NCCc2ccccc2)CC1 21047073 BRVPDJWKMABOKE-UHFFFAOYSA-N 451.571 2.348 30 10 JEEE NC(=O)CSc1nnc(N/N=C/c2ccccc2OCc2cccc(Br)c2)n1N 21321033 ILRFEFXULSLIQJ-LSFURLLWSA-N 476.360 2.357 30 10 JEEE COc1ccc(/C=C2/Oc3c(CN4CCN(CCO)CC4)c(O)cc(C)c3C2=O)c(OC)c1OC 37857548 ZATPSMLFEYXUEQ-KGENOOAVSA-N 484.549 2.453 30 10 JEEE CCCCCCCCO[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 101179106 RNGLREVZONTJLS-CSEOROSGSA-N 460.520 2.447 30 10 JEEE O=C(N=C1c2ccccc2CN1c1ncccn1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 254614773 YRDAWVMFWNZOLE-UHFFFAOYSA-N 463.519 2.105 30 10 JEEE COC(=O)c1cccc(C#Cc2cccc(NC(=O)NCCCN3CCCS3(=O)=O)c2)c1 608785142 SLJIBGDHFXRUKY-UHFFFAOYSA-N 455.536 2.420 30 10 JEEE CC(C)C=NC(=N/C(=C/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)c1ccc(F)cc1)N(C)S(C)(=O)=O 1082551721 CVJNMHLWDLKSEL-QDLBRVIVSA-N 483.562 2.284 30 10 JEEE C=CCSC1=NC(=O)C2=c3cc(Br)ccc3=N[C@H](/C=C\c3ccc([N+](=O)[O-])o3)N2N1 1082989766 YKLHASSZWXMROG-QZDDGCDVSA-N 488.323 2.353 30 10 JEEE COc1cc(C=NNc2nnc(SCC(=O)Nc3ccc(C)cc3)n2N)cc([N+](=O)[O-])c1O 1084410890 RNEQNHLZNYHHLP-UHFFFAOYSA-N 472.487 2.100 30 10 JEEE C=CCn1c(S)nc2cc(C(=O)N[C@H](C)[C@H](C)C(=O)Nc3ncccc3O)ccc2c1=O 1183400423 BFADRABSEHRKKS-QWHCGFSZSA-N 453.524 2.365 30 10 JEEE C#CCN(c1nnc(C(C)C)n1C[C@@H](C)N1CCN(c2ccccc2)CC1)[C@H]1CCS(=O)(=O)C1 1286386285 YAABJQYIZMYJFR-GGAORHGYSA-N 484.670 2.239 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCSC1)[C@H]1CCS(=O)(=O)C1 1286398169 WJCCAYPOAAJOHB-UXHICEINSA-N 485.635 2.499 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCN(CCC)C1 1286466745 JLXFOZMQLQIDRW-NHCUHLMSSA-N 490.649 2.404 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1C[C@@H](c1cccc(C)c1)N1CCOCC1 1286466810 KHQHUPYFBXIDJH-PKTZIBPZSA-N 453.587 2.250 30 10 JEEE C#CCN(CCOC)c1nnc(Cc2ccncc2)n1CC1(N2CCOCC2)CCCCC1 1286467581 YHLTTWLTHWMGBH-UHFFFAOYSA-N 452.603 2.385 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3nn(CCC)c(=O)c4ccccc34)n2CCOCC)CC1 1286490429 KUVMXZAPRIIKHD-UHFFFAOYSA-N 491.596 2.067 30 10 JEEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCCN(c2nc(CC)ns2)CC1 1286602412 ZBXXTUUKISPGCI-UHFFFAOYSA-N 462.624 2.140 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1286672521 NXCRGJFRMPCMST-VGSWGCGISA-N 462.620 2.268 30 10 JEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cc(F)cc(F)c1 1286700368 LXYPXNVUEFSBQI-SFHVURJKSA-N 455.531 2.492 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCNC(=O)C1 1286798899 NBOWAAOKXDGLFV-IBGZPJMESA-N 498.584 2.136 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1286819277 FZMNAPVBCNBSAA-GCJKJVERSA-N 461.588 2.024 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCN1CCC(O)CC1 1288517710 FMTFJSYXKBERML-IBGZPJMESA-N 467.622 2.037 30 10 JEEE CC[C@H](C)NC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)CCCO2)CC1 1291838719 DPSZYOHOZCVAER-FNZWTVRRSA-N 495.628 2.335 30 10 JEEE COc1ccc(OCCn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@H](C#N)C2)cc1 1300317526 AKJSAJXEALTLDP-GOSISDBHSA-N 468.539 2.086 30 10 JEEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1C[C@H](OC)C[C@H]1c1nnc2n1CCC2 1300382083 NHAVMCRLSHPZPL-MSOLQXFVSA-N 454.579 2.114 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Cl)n1Cc1conc1COC)[C@@H]1CCS(=O)(=O)C1 1300488604 SYUHZRUCCBEJDO-MRXNPFEDSA-N 475.958 2.408 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(NC(=O)C2CCC2)c1 1300671128 CHFNSWGRBVRCFI-FQEVSTJZSA-N 485.610 2.053 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@H](COC)OC)CC1 1300718500 QORXTLOYQCOICU-LJQANCHMSA-N 490.402 2.335 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1300936461 CTRHCUOMLHJYNR-UHFFFAOYSA-N 481.644 2.223 30 10 JEEE C=C(Cl)Cn1c(Nc2cnn(CC3CCC3)c2)nnc1[C@@H]1CN(S(C)(=O)=O)CCO1 1301061932 ZIGYYKYSNSKJPU-INIZCTEOSA-N 455.972 2.104 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCN(C(C)(C)C)CC1 1301586453 MBHZHXAUPBBEPI-UHFFFAOYSA-N 452.650 2.155 30 10 JEEE CCOc1ccccc1Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](C#N)C1 1314216497 HLRXZMVSEAFHCH-QGZVFWFLSA-N 452.540 2.445 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H](CC)OC)[C@H]1CCS(=O)(=O)C1 1358959179 DCTIZUQADRGFQU-ZWKOTPCHSA-N 462.572 2.014 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CC1C[C@H](C)O[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1358965070 NGWHLQGRXKVWDL-WFXMLNOXSA-N 457.600 2.094 30 10 JEEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@]1(O)CCC[C@@H]1C 1358981800 XYKCNOZWVRBENW-WNCULLNHSA-N 460.626 2.267 30 10 JEEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@H]1CCN(CC)C1 1358981823 YVBLPMICMRFTBH-DEOSSOPVSA-N 459.642 2.057 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(=O)NCC(F)F 1358993507 OYIWKKNZJYPENV-QGZVFWFLSA-N 478.544 2.237 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1359091490 OCLJTHLXOCFMOE-NHCUHLMSSA-N 472.634 2.323 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(S(C)(=O)=O)CC1 1359103011 IQXPLRYJBXPUMA-GHTZIAJQSA-N 462.620 2.134 30 10 JEEE C=CCC(C)(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1359184738 YGRBAOGVLJNMIY-UHFFFAOYSA-N 497.600 2.436 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1359301537 BBKFWDJIDFVEOB-UHFFFAOYSA-N 476.972 2.418 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCCN(c2nccc(OCC)n2)CC1 1359301653 GEMDRQKHIWTJKQ-UHFFFAOYSA-N 494.575 2.216 30 10 JEEE CC(C)(C)[S@](=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1359588883 ARSCQUKSMYAGFD-JGCGQSQUSA-N 452.588 2.414 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)N3C[C@@H]4CCCS(=O)(=O)[C@]4(C(F)(F)F)C3)cc2C1=O 1463445231 KZTHLIUQYAWHCH-ORAYPTAESA-N 456.442 2.050 30 10 JEEE C#CCN1CCC[C@H](NC(=O)[C@@H](CCS(C)(=O)=O)Cc2cccc(Br)c2)C1 1471832875 KZGDOFWLCNNWTE-HKUYNNGSSA-N 455.418 2.256 30 10 JEEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCCC(=O)NC2CC2)c1 1503408545 DBEZUKADWVECCA-DEOSSOPVSA-N 499.641 2.384 30 10 JEEE C#CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(C(=O)OC)CC1 1507564920 ZGGPIYBPCVUTLM-UHFFFAOYSA-N 452.563 2.144 30 10 JEEE C#CCCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CC[C@](C)(C(=O)NC)C1 1507570836 WCVSAHLCEUTQSZ-MHZLTWQESA-N 477.657 2.409 30 10 JEEE C#CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCCN(CC)C(=O)C1 1507579100 KVNNLPQKKPZTHX-UHFFFAOYSA-N 457.604 2.019 30 10 JEEE C#CCN(c1nnc(-c2ccccc2)n1Cc1ccc(N(C)C)nc1)[C@H]1CCS(=O)(=O)C1 1507628698 HZZJECOVANACKK-FQEVSTJZSA-N 450.568 2.081 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H](OC)c1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 1507631029 AZRAYEXBBGLXHB-MISYRCLQSA-N 479.002 2.450 30 10 JEEE C#CCN(c1nnc(C2CCN(c3ncccn3)CC2)n1CCC=C(C)C)[C@@H]1CCS(=O)(=O)C1 1507634547 YWXWEEKHLUOJAW-OAQYLSRUSA-N 483.642 2.435 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(Br)cs1 1507660058 LLWVINUOCPYXSJ-ZDUSSCGKSA-N 470.418 2.224 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(OC)c(Cl)c2)CC1 1507740009 WQLGHGXQNGJSQA-SFHVURJKSA-N 457.962 2.458 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2F)nnc1N1CCN(CC(=O)N(C)C)CC1 1507797687 SJNACLIMGZFWRY-GCJKJVERSA-N 456.566 2.276 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CCc2ccccc2)nnc1N1CCN(CC(=O)NCC)CC1 1507803976 DMSVBDSQSBKNIW-WIOPSUGQSA-N 466.630 2.303 30 10 JEEE C=C(C)COCCn1c(COc2cccc(C)c2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1507848302 PCQWFACVURAMFG-UHFFFAOYSA-N 496.612 2.029 30 10 JEEE C=CCCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1507946421 QWRBCXGFVNURLQ-INIZCTEOSA-N 464.592 2.080 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2csc(N3CCOCC3)n2)n1CCC(=O)NC 1508000233 UFPQUDSRJRWWOV-UHFFFAOYSA-N 492.609 2.439 30 10 JEEE C=CCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1508051403 VAIHYPDCVGIYQB-UHFFFAOYSA-N 478.553 2.476 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC(C)(C)OC[C@@H]1C 1508132487 YTPFJNVZBGGGIC-INIZCTEOSA-N 496.033 2.466 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1508142717 GCVYDSVMMBRVIP-OAQYLSRUSA-N 476.647 2.330 30 10 JEEE CCCNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(CN2CCOCC2)CC1 1515059755 CIOCCEOPTJJFSM-UHFFFAOYSA-N 465.602 2.282 30 10 JEEE COc1ccncc1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1518547362 FQBOQLSYAVUDPK-FQEVSTJZSA-N 482.566 2.194 30 10 JEEE N#C[C@H]1CN(c2nnc(CCCc3ccccc3)n2C[C@@H](N2CCOCC2)C(F)(F)F)CCO1 1521136772 HZZKOSPIPNHXDT-VQTJNVASSA-N 478.519 2.445 30 10 JEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 1539053688 XVUZEHCZUVYENU-MSOLQXFVSA-N 482.651 2.433 30 10 JEEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCc1cnccn1 1539125015 KCCJMMUCIQFYGQ-IBGZPJMESA-N 455.563 2.469 30 10 JEEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1539154905 MDPNOIIFIUUQTE-RDJZCZTQSA-N 495.447 2.320 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1CCOc1ncccc1Cl)[C@H]1CCS(=O)(=O)C1 1539210578 FFZJZHDOJYGUQN-INIZCTEOSA-N 474.974 2.038 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCSc2ccc(C)cc2)CC1 1539451954 GSQVQWONEIUELD-IBGZPJMESA-N 459.641 2.036 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCn2ccnc2C)CC1 1539462659 KREBDEMNBUXMQG-FQEVSTJZSA-N 468.606 2.310 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@@]2(O)CCSC2)CC1 1539468383 FNFIABLHABJRCU-OSPHWJPCSA-N 487.601 2.391 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CCN2CCC[C@@H]2C)CC1 1539481885 HTGREHVNRBMDIC-IBGZPJMESA-N 452.578 2.458 30 10 JEEE C#CCSCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1539504549 JWTCPAXKXJYFIZ-QGZVFWFLSA-N 470.990 2.497 30 10 JEEE C=C(Br)Cn1c(CC(C)C)nnc1N1CCN(c2cncc3nc(C)nn23)CC1 1539599313 DBWUHIUBLVAOHC-UHFFFAOYSA-N 460.384 2.458 30 10 JEEE C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)COc2ccc(F)cc2)CC1 1539683467 RCXRBSDUMNJDNY-UHFFFAOYSA-N 479.516 2.368 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 1539706651 NMXHFVVTEWLRDX-ROUUACIJSA-N 498.650 2.023 30 10 JEEE C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1539962995 IFDHCTCTWVPIRJ-AZUAARDMSA-N 457.623 2.155 30 10 JEEE C=CCOc1ccccc1Cn1c(COCC)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1540881333 GLANINCLENOSBP-NRFANRHFSA-N 468.558 2.194 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2ccc(NC(C)=O)cc2)C1 1540893075 WMRMEGHFRFVDLH-TZIWHRDSSA-N 473.599 2.163 30 10 JEEE C=CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(C(C)=O)C[C@@H]1C 1540912905 FGVJJCBQRIHPAC-INIZCTEOSA-N 467.599 2.168 30 10 JEEE C=CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@@H](COC)O[C@H](C)C1 1540913852 VMDCZMUWAXDNDN-SJORKVTESA-N 470.599 2.351 30 10 JEEE C=CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(C(=O)COC)CC1 1540917042 MJDZREFCNNEFDU-LJQANCHMSA-N 459.572 2.005 30 10 JEEE CCn1cccc(Cn2c(COc3ccc(C#N)cc3)nnc2N2C[C@@H](COC)O[C@H](C)C2)c1=O 1547627528 CWHHAESEQJTCJS-GCJKJVERSA-N 478.553 2.199 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCS(=O)(=O)CC=C 1587683872 PITIRKOCPCJXGR-YESZJQIVSA-N 451.593 2.108 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC2CCC(OC)CC2)CC1 1588891328 NQWMXTQLYWHXTJ-YDJYNLAZSA-N 487.645 2.490 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1nccc(C(F)(F)F)n1 1589600304 ZZKGSRGXXBGIEE-CYBMUJFWSA-N 461.514 2.342 30 10 JEEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1593696515 ROPZAOMRFJETRK-GOSISDBHSA-N 450.547 2.321 30 10 JEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCN(CC(F)(F)F)C2)CC1 1594192001 BTRXSGLJLAMMHW-GOEBONIOSA-N 464.558 2.175 30 10 JEEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1594761082 USWVAFRGHOLJQH-ICSRJNTNSA-N 485.658 2.225 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCOc2ccccc21 1595218175 HSHPDZZXHSTBGB-NQIIRXRSSA-N 473.599 2.356 30 10 JEEE C=CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1595367049 XSLPPSJXPMVHSG-NRFANRHFSA-N 470.618 2.380 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2Cl)nnc1N(C)CCN1CCOCC1 1595497298 WZOGSIKPUKKISV-UHFFFAOYSA-N 497.825 2.432 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](c2cccs2)N2CCOCC2)C1 1595664355 BXGJFFCJXMUKDV-RBUKOAKNSA-N 474.631 2.333 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1595760005 JRLMZMQKBXUARH-KSFYIVLOSA-N 494.017 2.389 30 10 JEEE C#CCN1CCC[C@@H](NC(=O)c2ccc(CNS(=O)(=O)c3ccc(C(C)=O)cc3)cc2)C1 1595791059 WJTOZFATNFWHNJ-JOCHJYFZSA-N 453.564 2.195 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)CCC2CCCC2)CC1 1595796593 AMTDEZMWGYDUAW-NRFANRHFSA-N 493.674 2.392 30 10 JEEE C=CCSCCn1c([C@@H]2CCCOC2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1595878345 NVHUALWMRRPRLQ-CEWLAPEOSA-N 462.664 2.080 30 10 JEEE CCOc1ccc(O[C@H](C)c2nnc(N3CCO[C@@H](C#N)C3)n2CCC2(O)CCOCC2)cc1 1616415908 CYMSZVBPBYUGFR-NQIIRXRSSA-N 471.558 2.477 30 10 JEEE COCC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1619570777 DJXXFNGBCGLBEU-MJGOQNOKSA-N 454.531 2.336 30 10 JEEE C#CCNS(=O)(=O)c1ccc(C(=O)NCC2(N[C@H](C)c3ccccc3)CCOCC2)cc1 1633481033 CGDGWXUKKZOUNL-LJQANCHMSA-N 455.580 2.228 30 10 JEEE C=C[C@@H]1OCC[C@H]1NC(=O)N1CCN(C(=O)c2ccccc2I)CC1 1635344135 JEXLQEWDRIZHGH-CVEARBPZSA-N 455.296 2.102 30 10 JEEE C=CCn1c(SCC(=O)N[C@@H](CO)[C@H](O)c2ccccn2)nnc1-c1ccc(Cl)cc1 1642585843 OGKFFEJGGPOZGG-PKOBYXMFSA-N 459.959 2.482 30 10 JEEE C=CCS(=O)(=O)CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1Br 1668199236 BPBUYGRBAMUQLN-UHFFFAOYSA-N 452.270 2.227 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(c2ccccc2)CC1 1689930555 UTMQLKRHLSOERT-NRFANRHFSA-N 457.600 2.408 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1cccnc1OCCC)[C@@H]1CCS(=O)(=O)C1 1689989508 GEVGECUGLUKXQZ-VQTJNVASSA-N 473.599 2.031 30 10 JEEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1CCCn1cccn1)[C@@H]1CCS(=O)(=O)C1 1689997238 YEPOQHMSGMRUIQ-LJQANCHMSA-N 489.001 2.424 30 10 JEEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1C[C@H](C)CNC(=O)OC(C)(C)C 1690015092 AGDLGZQXNGCGBY-MRXNPFEDSA-N 454.531 2.239 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2C[C@@]2(C)CN(C)C2=O)CC1 1690111831 KOVBBPJSFDFDGZ-CJFMBICVSA-N 450.587 2.268 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H](c2cccs2)N(C)C)CC1 1690132684 WLKKAIKGTXHBQF-GOSISDBHSA-N 483.667 2.389 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(OC(C)(C)C)nc2)CC1 1690375820 VEKZBAAOQLPBOZ-LJQANCHMSA-N 490.630 2.388 30 10 JEEE C=CC1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCc2ccc(S(N)(=O)=O)cc2)CC1 1690398686 DMBVDWGCAFPFHM-QHCPKHFHSA-N 475.615 2.223 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1690430779 TUEDMVBMGPNNBI-IAGOWNOFSA-N 454.579 2.229 30 10 JEEE C=CCCOCCn1c(N2C[C@H](C)O[C@@]3(CCCOC3)C2)nnc1[C@]1(OCC)CCOC1 1690511248 VAMRZEIZRHNXGB-VJBMBRPKSA-N 450.580 2.297 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCOC2)n1C[C@H]1CCCN1S(C)(=O)=O 1690560587 WWWKTHQRXKVCSV-NHCUHLMSSA-N 470.599 2.270 30 10 JEEE C=CCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)Cc1ccc(C(=O)NC)cc1 1690639526 VWACGYDGRQEPGX-UHFFFAOYSA-N 453.572 2.420 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(c2nc(CC)ns2)CC1 1690676093 PQYSPQDGHZIREH-UHFFFAOYSA-N 486.577 2.039 30 10 JEEE C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)CC1(C)C 1693727105 HIODWJOOUZEZJC-GOSISDBHSA-N 452.559 2.460 30 10 JEEE CCC[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1)OC 1695116248 GRWKYPABATUKJF-QFIPXVFZSA-N 465.602 2.409 30 10 JEEE CCN1CCN([C@@H](C)Cn2c(-c3nnc(O)c4ccccc34)nnc2N(C)C[C@@H](C)C#N)CC1 1695866914 BNGFYXSNKBBRMP-ROUUACIJSA-N 463.590 2.216 30 10 JEEE CCN1CCN(C[C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2C[C@@H](C)O[C@@H](COC)C2)CC1 1695897205 GKMYBKZRMGQBIU-YZUZCNPQSA-N 481.645 2.330 30 10 JEEE N#C[C@@]1(F)CCN(c2nnc(CN3CCCC3=O)n2CCc2cc(C(F)(F)F)ccn2)C1 1698485710 BHAWZGUPGIJRHW-IBGZPJMESA-N 451.428 2.499 30 10 JEEE C#CCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1705524555 ONJMJMPOFIDGKE-FQEVSTJZSA-N 478.597 2.376 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1Cc1cc(C)on1)[C@H]1CCS(=O)(=O)C1 1705568041 GCAJKYYBJMIJCU-IBGZPJMESA-N 455.540 2.137 30 10 JEEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN([C@H](C)c2nc(CC)no2)CC1 1705659647 BVMPKEGFEPCNSG-QZTJIDSGSA-N 459.620 2.367 30 10 JEEE C#CCSCCn1c(Cn2ccc3ccccc32)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1705663555 LRUHEGJVZAONBV-IBGZPJMESA-N 486.667 2.413 30 10 JEEE C=CCNC(=O)Cn1c(N2CCc3cc(F)cc(F)c3C2)nnc1[C@@]1(OC(C)C)CCOC1 1705908983 ZBWOUQNOPIXZTA-HSZRJFAPSA-N 461.513 2.462 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CCNS(C)(=O)=O)C1 1705919324 BNUANBHTWQRMQM-MRXNPFEDSA-N 484.420 2.347 30 10 JEEE CC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)c2ccco2)CCN1CCOC 1709335133 GAJFOVTVAUKMNZ-NRFANRHFSA-N 477.569 2.387 30 10 JEEE CNC(=O)CC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCN2CCCO)CC1 1711371370 DNSJRKRJEKEQKR-QFIPXVFZSA-N 465.602 2.016 30 10 JEEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1722324191 MKAJAKVHSOFADX-FQEVSTJZSA-N 451.962 2.451 30 10 JEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](CC2CC2)C1 1722324219 NEWUYIIAQPTWTB-BHIYHBOVSA-N 494.662 2.431 30 10 JEEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(Cc2nc([C@@H](C)OCC)no2)CC1 1722334246 VDPJANODTCYNFC-RTBURBONSA-N 457.579 2.388 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1ccccc1COCC)[C@@H]1CCS(=O)(=O)C1 1722365549 FNCWOMWKISYFOB-FGZHOGPDSA-N 472.611 2.384 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CC(C)(C)c1ccccn1)[C@@H]1CCS(=O)(=O)C1 1722369756 GDGGHFUOQCYJCC-ZVDOUQERSA-N 487.626 2.002 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CCCSC2)CC1 1722450203 YZCKWEIFROCZFA-LJQANCHMSA-N 455.632 2.249 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2ccc(F)c(F)c2)C1 1722459810 RTVYFCXQEQDNMM-LPHOPBHVSA-N 482.578 2.403 30 10 JEEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1722532400 KWCRPDMFQDHKKL-QGZVFWFLSA-N 458.563 2.292 30 10 JEEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1Cc1ccccc1 1722538309 WSJXFQMHUBMQMA-FGZHOGPDSA-N 489.642 2.415 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2cc(C)on2)CC1 1722588116 KNMNYKOIYPEDQP-SFHVURJKSA-N 462.620 2.401 30 10 JEEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1722602642 ALSSEZHQRLDVLB-KRWDZBQOSA-N 471.583 2.269 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CC[C@@]2(CCOC2)O1 1722661647 MSSXURILKUWXOV-FVJLSDCUSA-N 481.644 2.481 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC(Cn2ccnn2)CC1 1722688803 LUISYCAZBVDRPN-QGZVFWFLSA-N 468.537 2.368 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCn2nc(C)nc2C1 1722690083 FGCIXXXVIGJQAY-MRXNPFEDSA-N 466.546 2.039 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC(N(C)c2ccccc2)CC1 1722725253 MXKXNMJBPOAUPH-UHFFFAOYSA-N 486.642 2.220 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(F)(F)F)CC1 1722732084 UUFNZDURUHMTIT-UHFFFAOYSA-N 498.531 2.014 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CCN1CCN(C(C)=O)CC1 1740541610 CXIZGFKSLXFRIN-INIZCTEOSA-N 489.418 2.338 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CC3)n2CC(C)(C)N2CCOCC2)c1 1740564257 GQOHZFJTVNLEED-UHFFFAOYSA-N 450.587 2.398 30 10 JEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(S(=O)(=O)c2ccccc2)CC1 1740589909 CJIHTEVKCSBAQM-GOSISDBHSA-N 476.624 2.036 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1740620135 NYHLWEDOWBHLFT-OAQYLSRUSA-N 463.567 2.039 30 10 JEEE C#CCN(CCOC)c1nnc(Cc2ccccc2C)n1C[C@@]1(N2CCOCC2)CCSC1 1740685863 ADDSXQXJTVBKSQ-VWLOTQADSA-N 469.655 2.471 30 10 JEEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCc2ccc(OCC(F)(F)F)nc2)CC1 1740695299 MEQARPDWHCFALN-UHFFFAOYSA-N 474.491 2.013 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2C[C@@H]2CN(CC(C)C)CCO2)CC1 1740703998 ICARAXPVRWGNAH-QHCPKHFHSA-N 464.614 2.268 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(N3CCC(CO)CC3)cc2)C1 1740970506 MUNVNPAVBWJYKL-QHCPKHFHSA-N 482.629 2.455 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1740984546 DQMLYLIZXXXLSZ-PGRDOPGGSA-N 478.640 2.210 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)c1cccc(Cl)c1 1741131919 HVDVADAFKBAGSE-SXGZJXTBSA-N 451.980 2.337 30 10 JEEE CN(C)C(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1747540571 FLZFANZTFJSQNI-UHFFFAOYSA-N 450.934 2.280 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCCN1CCOCC1 1748665761 UTAFIYKSBCTPQN-IBGZPJMESA-N 463.586 2.416 30 10 JEEE C#CCN(C)c1nnc(CCc2ccc(OC)cc2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1748794971 RWXOHGWXAHAKAR-RBBKRZOGSA-N 471.627 2.346 30 10 JEEE C#CCN(c1nnc(C2CCCC2)n1Cc1cccc(C(=O)NCC)c1)[C@@H]1CCS(=O)(=O)C1 1748814568 GQFGOUYZFFMRBW-OAQYLSRUSA-N 469.611 2.360 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H](N1CCOCC1)C(F)(F)F 1748831381 MWHWKWIVPSPMDC-SFHVURJKSA-N 462.432 2.189 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cccc(N2CCOCC2)c1 1748868517 YGUWPWRMPRWPPZ-AREMUKBSSA-N 463.582 2.278 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H](OC)C(C)(C)C)CC1 1749000843 BHLKPCXSNZXGHO-IBGZPJMESA-N 460.623 2.223 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 1749228565 BJWNYYDNXNMCQP-OALUTQOASA-N 481.663 2.152 30 10 JEEE C=CC[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)CS(C)(=O)=O)c1ccccc1 1749384557 CYBQYMHBJLHFIV-RLLQIKCJSA-N 480.656 2.409 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](CNC(=O)c2ccccc2)C1 1749669550 IQHTUJDKBQHCJL-FPOVZHCZSA-N 466.586 2.121 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC2(S(C)(=O)=O)CCCC2)C1 1749698607 UUGQIECEGFMQPQ-PGRDOPGGSA-N 468.620 2.069 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3ccccn3)n2C[C@@H](N2CCOCC2)C(F)(F)F)C1 1749703958 SKMBOTRWFLARGB-FUHWJXTLSA-N 452.481 2.385 30 10 JEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccnc(-n2cccn2)c1 1760175585 MXEYKMRBTREQOU-LJQANCHMSA-N 478.557 2.285 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@H](C)c1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1760185435 XCHDRHOJYBHYBF-YJBOKZPZSA-N 456.572 2.319 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H](c1ccc(F)cc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1760189400 OTKCUPJVHUQSJV-VXKWHMMOSA-N 482.585 2.409 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC[C@@H]1CCO[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1760189404 OWIYSPFYKLXEQO-AQNXPRMDSA-N 457.600 2.480 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccsc2)CC1 1760266225 SWSHDFCUEXOXPR-HSZRJFAPSA-N 457.600 2.394 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCCn1cnnn1 1760294729 FIYPELGFGRZIQE-HSZRJFAPSA-N 469.594 2.462 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H](CNC(C)=O)C1 1760558511 QRPPEQUBLVVEBQ-XUVXKRRUSA-N 481.663 2.150 30 10 JEEE COC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCN(C(C)C)CC2)CC1 1767916340 DIIKDLHEHTYSFZ-UHFFFAOYSA-N 496.612 2.353 30 10 JEEE CN(C)C(=O)[C@@H]1CCCN1CCCn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@@H](C#N)C1 1768426899 AZGFNSKVGKQGCU-PMACEKPBSA-N 471.993 2.270 30 10 JEEE CO[C@@]1(Cn2c(COc3ccc(Br)cc3)nnc2N2CCO[C@@H](C#N)C2)CCOC1 1769780559 AYNZHORUSRXGSA-FXAWDEMLSA-N 478.347 2.154 30 10 JEEE C=C(C)Cn1nc(C)c(CCC(=O)NCCNC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)c1C 1860322804 HURSYANXMACHOU-JOCHJYFZSA-N 465.598 2.290 30 10 JEEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1862685304 SRPUWIFHHNWBHP-FQEVSTJZSA-N 485.424 2.220 30 10 JEEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1862685563 ZKQZJZWAHHIAEO-WYRIXSBYSA-N 458.398 2.464 30 10 JEEE CC(=O)Nc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(CCN3CCOCC3)C2=O)cc1 1863187932 KQNPZZYFZJMFMX-UHFFFAOYSA-N 459.506 2.041 30 10 JEEE C=CCN(CC=C)C(=O)[C@H](C)NC(=O)c1cc(-c2cccs2)n([C@H]2CCS(=O)(=O)C2)n1 1868771824 UYKPMYXUTRHXBS-HOTGVXAUSA-N 462.597 2.290 30 10 JEEE CCN(CCc1ccncc1)c1nc(NC(=O)c2cccc(C#N)c2)n([C@@H]2CCS(=O)(=O)C2)n1 1870031359 SNKHWOMRLOBQLD-HXUWFJFHSA-N 479.566 2.226 30 10 JEEE CN1CCN(c2ccc(-n3nnc(C#N)c3NS(=O)(=O)c3ccc(Cl)cc3)cc2)CC1 1870098163 PWPVODBFPATYPS-UHFFFAOYSA-N 457.947 2.345 30 10 JEEE CC(C)[C@@H](C(=O)Nc1c(C#N)nnn1-c1ccc2nc[nH]c2c1)N1C(=O)c2ccccc2C1=O 1870143266 FQDAXBJVZRKLPQ-IBGZPJMESA-N 454.450 2.275 30 10 JEEE C=CCn1cc(OCCN2C(=O)c3ccccc3C2=O)c(=O)cc1CN1C[C@H](C)O[C@@H](C)C1 1870378035 HNWXCZMTJPORJP-ROUUACIJSA-N 451.523 2.319 30 10 JEEE C=CCn1cc(OCC(=O)N(C)CCCC)c(=O)cc1CN1CCN(c2ccccn2)CC1 1870515050 NETQNLIRRKKIBP-UHFFFAOYSA-N 453.587 2.389 30 10 JEEE C=CCn1c(C(=O)Nc2cc(OC)c(OC)c(OC)c2)cc2c(N3CCN(CCO)CC3)ncnc21 1873661556 XWZGNIKTAUGUJQ-UHFFFAOYSA-N 496.568 2.010 30 10 JEEE COC(=O)c1ccc(/C=N/n2c(SCC(N)=O)nnc2[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1 1874209371 BZWFFEGDDPHBRZ-MTYDYXEWSA-N 492.561 2.040 30 10 JEEE CCOc1cc(/C=N/n2c(COc3ccc(OC)cc3)nnc2SCC(N)=O)ccc1O 1874293063 XGTLZESOHPRSTF-FOKLQQMPSA-N 457.512 2.430 30 10 JEEE COc1ccc2c(C(=O)N3CCC(OCC#CCN4CCN(C(C)C)CC4)CC3)cc(OC)nc2n1 1890605466 YJIWFONRFHPOOM-UHFFFAOYSA-N 495.624 2.298 30 10 JEEE N#Cc1nccnc1O[C@@H]1CCCN(C(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)C1 1891979619 VHHJUILNLIADIG-GOSISDBHSA-N 489.985 2.472 30 10 JEEE Cc1nc(I)c(I)n1CCC(=O)N(C)CCC#N 2028587202 AJIABYZYAJDDMV-UHFFFAOYSA-N 472.068 2.163 30 10 JEEE C#CCNC(=O)CNC(=O)c1ccc(NC(=O)OC(C)(C)C)c(I)c1 2068308633 KGNXEHMEUNAIAP-UHFFFAOYSA-N 457.268 2.117 30 10 JEEE CC(C)(C)OC(=O)N1Cc2[nH]cnc2C[C@@H]1C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 2124625747 JYLNQUKXZDLPRB-GHTZIAJQSA-N 450.543 2.308 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)NCC[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 2222543792 XGLDKPJKVBZHKT-AOMKIAJQSA-N 454.568 2.452 30 10 JEEE CC(C)(C)OC(=O)N1CCS(=O)(=NC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)CC1 2255647413 YLWGMEHEWQIQIH-UHFFFAOYSA-N 471.410 2.301 30 10 JEEE C[C@H](CNS(=O)(=O)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)NC(=O)OC(C)(C)C 2255800300 RKFDVSCVRHBOHT-OAHLLOKOSA-N 454.398 2.318 30 10 JEEE CC(C)(C)OC(=O)NCCOCCNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2267156050 DAEOQMKTRZETKU-UHFFFAOYSA-N 469.775 2.305 30 10 JEEE CN(C[C@H](O)CNC(=O)OC(C)(C)C)C(=O)c1cc(F)ccc1B1OC(C)(C)C(C)(C)O1 2267402594 BPZWIEPGIBNBOA-OAHLLOKOSA-N 452.332 2.083 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H](C)CNC(=O)OC(C)(C)C 2267469226 RWQJELJLHJDYLO-CQSZACIVSA-N 470.397 2.186 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@@H](NS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2267469254 SCAWPXRUYCKTPD-CQSZACIVSA-N 487.453 2.261 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CC[C@H](NS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2267473547 HPICFVZJWJDBRV-KBPBESRZSA-N 487.453 2.308 30 10 JEEE CC(C)(C)OC(=O)NCc1nocc1C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2268650498 PQSMVFPGWXUWPO-UHFFFAOYSA-N 464.353 2.385 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ccc(F)c(B3OC(C)(C)C(C)(C)O3)c2)[C@H](O)C1 2281790308 UALNLSDBYCRDGO-ZWKOTPCHSA-N 464.343 2.225 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 2282005245 ORFHVEPVECRALD-ARFHVFGLSA-N 460.384 2.013 30 10 JEEE CC[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2282032328 DXKDCLMNXOBDEJ-HOTGVXAUSA-N 462.400 2.485 30 10 JEEE Cc1ccc(S(=O)(=O)N2CCOCCN2C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2282318338 ZVKUKMSLLGSBRB-UHFFFAOYSA-N 482.408 2.467 30 10 JEEE C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)CCN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282534958 JIHHUYBTJWPHCC-CVEARBPZSA-N 462.400 2.485 30 10 JEEE Cc1nn(C)c(C(=O)N2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2282560620 WBPBMTYYLNVMTA-INIZCTEOSA-N 462.400 2.499 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)[C@@H](CC(F)F)C1 2282584851 HEPHMJZOURGINR-ZDUSSCGKSA-N 470.326 2.426 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC3CC2(CNC(=O)OC(C)(C)C)C3)n1 2282590340 ZXZGZIIGZRPJPU-UHFFFAOYSA-N 460.384 2.332 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)[C@@]2(CCOC2)C1 2282617196 IKPIZNRQJCFXQK-FPTDNZKUSA-N 479.408 2.341 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@H](CCNC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2282674752 OKDRSVUNJXLHRS-MRXNPFEDSA-N 461.368 2.137 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N[C@@H]2C[C@H](OCc3ccccc3)C2(C)C)n1 2282844605 GNURHEJBUHGMEJ-MOPGFXCFSA-N 475.420 2.382 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H]1NS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282864735 KDOPCXYETIRFBA-MAUKXSAKSA-N 481.424 2.353 30 10 JEEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)C2 2283068965 PGPMRSBRZQAJMJ-HOTGVXAUSA-N 458.368 2.436 30 10 JEEE C[C@H](c1nscc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)[C@@H]1C[C@H](O)CN1C(=O)OC(C)(C)C 2283960785 BKMCPWRDYOFEIN-YCPHGPKFSA-N 481.424 2.332 30 10 JEEE COC[C@@H](ONC(=O)OC(C)(C)C)C(=O)N(C)[C@H](C)c1nscc1B1OC(C)(C)C(C)(C)O1 2283966513 VQJMLSFLSXQLGD-UKRRQHHQSA-N 485.412 2.433 30 10 JEEE COC[C@]1(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)CCCCN1C(=O)OC(C)(C)C 2284057907 FUZQCZAZGSITJO-NRFANRHFSA-N 482.412 2.004 30 10 JEEE Cc1ccc(S(=O)(=O)N[C@H](COCc2ccccc2)C(=O)O)c(B2OC(C)(C)C(C)(C)O2)c1 2284400804 YLBWWCSLXVYQAE-LJQANCHMSA-N 475.372 2.243 30 10 JEEE CC1(C)OB(c2ccsc2S(=O)(=O)N[C@@H](CCO)COCc2ccccc2)OC1(C)C 2320502378 GMWGJWXLJSQNOD-KRWDZBQOSA-N 467.418 2.293 30 10 JEEE COC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)(C)C)C2)n1N=Cc1ccccc1[N+](=O)[O-] 2327874514 BAOFOEGSDTXEFS-AWEZNQCLSA-N 460.516 2.448 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1[C@H]2C[C@H](CN(C(=O)[C@@H]3C[C@H]3B3OC(C)(C)C(C)(C)O3)C2)[C@H]1CO 2334271587 PNSBXJIUVZODAZ-HVKXIDHRSA-N 450.385 2.449 30 10 JEEE CN(C[C@]1(O)CCN(Cc2ccccc2)C1)C(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2337405738 XDIZQOCSNVBECB-HSZRJFAPSA-N 457.405 2.151 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2CN(Cc3ccccc3)C[C@@]2(C)C1 2362344912 YBMYDDLHGBHUPC-DFBJGRDBSA-N 450.392 2.313 30 10 JEEE CNC(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)C1CC(B2OC(C)(C)C(C)(C)O2)C1 2369308905 ZSRDCJYUWPFZGK-OFLPRAFFSA-N 465.400 2.443 30 10 JEEE Cc1nn(C)cc1/C=N/Nc1nc(SCC(=O)Nc2cccc(N3CCCC3=O)c2)n[nH]1 20424353 KQFQLPQTFBHLDO-UFFVCSGVSA-N 453.532 2.150 30 10 JEEE C=CCN1C(=O)N[C@H](c2ccccc2C(F)(F)F)C2=C1CN(CCC(=O)N1CCOCC1)C2=O 35972022 ZQWKGUVKNZURDS-HXUWFJFHSA-N 478.471 2.303 30 10 JEEE Cc1nc2c(C)cccn2c1/C(O)=C1/C(=O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccco1 103109850 ICGBAZVKEWVXKB-HUZQBFDWSA-N 450.495 2.298 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)C[S@](=O)CC(=O)c2ccc(OC)cc2OC)nc1C 586350162 OYIGLEWKPQZKMU-WJOKGBTCSA-N 466.537 2.382 30 10 JEEE N#CC(C(=O)Nc1ccccn1)=c1sc(=Cc2cnn3ccccc23)c(=O)n1Cc1ccccc1 729668879 TVUTYTRUMKKPMW-UHFFFAOYSA-N 478.537 2.143 30 10 JEEE CC(C)CC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CCc1cccnc1 729672680 BSCLTUYOOTWCMY-UHFFFAOYSA-N 457.559 2.313 30 10 JEEE C=CCCN(C)C(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 1154452061 XYULMZQYGKHRHJ-AWEZNQCLSA-N 455.886 2.306 30 10 JEEE C[C@H](NS(=O)(=O)c1cc(Br)cc(C#N)c1)[C@@H](C)C(=O)Nc1ncccc1O 1193729515 FULABOZEGZCRKP-MNOVXSKESA-N 453.318 2.363 30 10 JEEE CN(CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2)C(C)(C)CN1CCOCC1 1195054656 HAYRGTPUTOLRTN-LJQANCHMSA-N 457.619 2.399 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@H]1CCCCS1(=O)=O 1286287690 CGXRSUGZNUAVBY-MSOLQXFVSA-N 482.610 2.490 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2Cc2ncccc2N(C)C)c1 1286310383 VWRFEZLEVOPHSI-UHFFFAOYSA-N 467.537 2.301 30 10 JEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1286356245 MOTVRHPILIJOBJ-JOCHJYFZSA-N 491.621 2.032 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1Cc1cc(OC)c(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1286391932 FZPKTYMEXOZBJR-SFHVURJKSA-N 476.599 2.177 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(F)c(C)c2)n1 1286471557 NFSCABSPSLPSLX-NRFANRHFSA-N 465.533 2.208 30 10 JEEE C#CCN1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CCCCSC)CC1 1286477043 MXFILEQPVIXFNR-UHFFFAOYSA-N 461.661 2.137 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H]2CCCOC2)CC1 1286485681 UODSMAYAENRIFP-SLFFLAALSA-N 458.607 2.231 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2C[C@H](C)CN2CCN(CC)CC2)CC1 1286489060 DMKXIVBEFVFCMK-OAQYLSRUSA-N 495.647 2.324 30 10 JEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC(Oc2ncccc2F)CC1 1286495541 YSVXQUIWGVDEPL-UHFFFAOYSA-N 458.563 2.462 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1286547035 MOHRFFQEWMHQAW-PMVMPFDFSA-N 496.612 2.470 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1286552430 MKQIFINIGFIMFM-YADARESESA-N 498.628 2.154 30 10 JEEE C=CCCOCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1286705847 FZPPUXYPBZYEQI-UHFFFAOYSA-N 492.584 2.327 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1286821545 OTLZNYSICTWDSW-NRFANRHFSA-N 488.589 2.403 30 10 JEEE C=CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@@H](CNC(C)=O)C1 1286826061 VMYUTEHLEGXIBQ-INIZCTEOSA-N 483.436 2.307 30 10 JEEE CC(C)(C)NC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2cnccn2)CC1 1287047246 CYCZEKZFGUQZFQ-UHFFFAOYSA-N 489.584 2.150 30 10 JEEE CCOC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1296431773 CVWVEPJCIUNKCR-UHFFFAOYSA-N 475.557 2.334 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(C)(C)N1CCOCC1 1300307560 GHWKSMVMFNCWBQ-LJQANCHMSA-N 452.607 2.021 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCCCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1300479566 PIQZUSIETBGTKG-HXUWFJFHSA-N 457.600 2.066 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H](C)Oc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1300503529 DBIHZRNMDPEGME-DBXWQHBBSA-N 474.583 2.232 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@](C)(O)C(C)C 1300579399 UVSVDKKWFYIZPT-NTKDMRAZSA-N 459.591 2.456 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCN(C2CC2)C1 1300642601 LKTQLCURMRBEHC-IEBWSBKVSA-N 474.606 2.152 30 10 JEEE C#CCN(CCOC)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCCn2ccnc21 1300674665 BVNKFMNOEOABTE-KRWDZBQOSA-N 453.572 2.130 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CC2CCN(CCC(C)C)CC2)CC1 1300681072 KMZNGMUMUGLLFZ-UHFFFAOYSA-N 455.651 2.027 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCNC(=O)c2ccco2)CC1 1300701150 IMWSKFNPXQEUSG-UHFFFAOYSA-N 452.946 2.301 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CC(=O)Nc2ccc(F)cc2)CC1 1300721913 CUYSYHPDUKJNIZ-UHFFFAOYSA-N 475.528 2.392 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2CC2([S@](C)=O)CCC2)CC1 1300726968 SRSQTRMTDSTBGP-UMSFTDKQSA-N 483.638 2.145 30 10 JEEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1300766255 XYSYQVJVDSZTAJ-NZQKXSOJSA-N 496.681 2.233 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1300935294 PLOMCLKSICMETR-VGSWGCGISA-N 461.588 2.156 30 10 JEEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCCN1CCOCC1 1301295840 AUSVMEJHLUNLBF-IBGZPJMESA-N 464.611 2.321 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cc(C)nc4ccccc34)n2CCNS(C)(=O)=O)C1 1301543573 MPCFXAFMCGTKTF-KRWDZBQOSA-N 456.572 2.132 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(NC(=O)N(C)C)cc2)C1 1301554407 GGDTYUCBUQOAIK-MOPGFXCFSA-N 453.547 2.152 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](c2ccccc2OC)C1 1301567909 MSVJBECQQZQIFA-QGZVFWFLSA-N 461.588 2.020 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@]1(N(C)C)CCSC1 1301956299 IDKDBCWYNNCCAR-HTAPYJJXSA-N 491.687 2.229 30 10 JEEE CC(C)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1)N1CCOCC1 1302512004 ANJYLRNLVVBGRU-FGZHOGPDSA-N 486.642 2.187 30 10 JEEE CC(C)NC(=O)CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H](C(C)C)N1CCOCC1 1303435867 GIIFQILOOOXMSV-OAQYLSRUSA-N 453.591 2.134 30 10 JEEE CCS(=O)(=O)N(C)CCCn1c(CC2CC2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1314542514 IAEIRLGHQQTNIU-OAQYLSRUSA-N 472.615 2.352 30 10 JEEE CNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1314933518 CXTBWFHOKKLQKR-OSPHWJPCSA-N 452.559 2.363 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(OCC)cc3)n2CC2([S@](C)=O)CC2)CC1 1359029849 IYZVVHIZGPOIRI-ASPBEGMCSA-N 471.627 2.483 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1CC[C@H](N1CCOCC1)C(F)(F)F 1359073439 PLPUSKHOYKQKKR-LAUBAEHRSA-N 468.524 2.046 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(S(C)(=O)=O)CC1 1359095456 OJOQHWPVKDMVHV-WMZOPIPTSA-N 466.995 2.056 30 10 JEEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCCSc3ccc(Br)cc32)C1=O 1461682885 SQNWKIDRSQXAPX-CYBMUJFWSA-N 452.330 2.469 30 10 JEEE C#CCN(CC(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N)C(=O)OC(C)(C)C 1464104474 YYHZSLFCSHTTMD-UHFFFAOYSA-N 454.506 2.384 30 10 JEEE CCN1CCN(C[C@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCO[C@@H](C)C2)CC1 1502345894 HJFGRRREOWBDIN-SFTDATJTSA-N 467.618 2.227 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCNC(=O)c1cccs1 1507522019 SXCONXPSJXUXHO-HNNXBMFYSA-N 457.581 2.298 30 10 JEEE C#CCN(c1nnc(COCC)n1Cc1oc2ccccc2c1OC)[C@@H]1CCS(=O)(=O)C1 1507638076 OHCVJUJVVWZUCS-MRXNPFEDSA-N 458.540 2.244 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(OC)c2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1507644661 LHCWVQOPDUCXOZ-UNMCSNQZSA-N 467.595 2.231 30 10 JEEE C#CCN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1507679065 QUQJSRUTCNDYGS-AREMUKBSSA-N 481.645 2.363 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2CCCCN2CCOCC2)CC1 1507736772 RQQTVWURVBNIFF-UHFFFAOYSA-N 464.614 2.332 30 10 JEEE C#CCSCCn1c(-c2ccccc2Br)nnc1N1CCN(CC(=O)NCC)CC1 1507749339 YLGCUXVXEBHILI-UHFFFAOYSA-N 491.459 2.332 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CCOC1 1507821329 YZPDPXADPBRDMT-HTAPYJJXSA-N 451.568 2.140 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCN(C)[C@@H]1c1cccs1 1507980644 HPFARYUMLQRCBQ-BJLQDIEVSA-N 494.687 2.378 30 10 JEEE C=CCN(c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1nncn1CC)C1CC1 1507993640 SNWLEODJGIVNNB-KRWDZBQOSA-N 458.567 2.401 30 10 JEEE C=CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1508042762 WSYQRIPGDVPRGS-FQEVSTJZSA-N 465.602 2.466 30 10 JEEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)Cc2cccc(OC)c2)CC1 1508073380 WPTIMAZTAGRBNE-UGKGYDQZSA-N 455.559 2.088 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)c2ccsc2)CC1 1508088615 ZSIFWRFPPJKMHV-UHFFFAOYSA-N 468.558 2.334 30 10 JEEE CN(C)C(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1516961575 AHFZFJPNWLDXBQ-IBGZPJMESA-N 451.575 2.426 30 10 JEEE CO[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1)C(C)(C)C 1517817643 DTVPMJFOADXCPR-LPHOPBHVSA-N 460.604 2.348 30 10 JEEE Cc1cc(C#N)cc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)n1 1527213801 COSQAHXQYXKBRW-UHFFFAOYSA-N 456.524 2.462 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC(=O)NCC(F)F 1539002267 BSFCAMLERUYJNS-CQSZACIVSA-N 457.485 2.075 30 10 JEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1ccc(COC)o1 1539071686 CVJIKXIZCWZLME-TZIWHRDSSA-N 491.614 2.495 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCC1(O)CCOCC1 1539422987 OAMSVXJPDMTRGA-KDURUIRLSA-N 477.606 2.066 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2CC[C@H]2CCCCO2)CC1 1539488494 KPHVACPUMMCIFH-LJQANCHMSA-N 484.626 2.195 30 10 JEEE C=CCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1539983012 UKULOEPGEWUZGQ-NVXWUHKLSA-N 458.950 2.185 30 10 JEEE C=CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1540007148 YPRYUHFHKQVOMR-ZWKOTPCHSA-N 498.650 2.023 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(c2ccc(O)cc2)CC1 1540902228 DJSUFNOBXFFWNN-HXUWFJFHSA-N 461.588 2.153 30 10 JEEE COc1ccc(Br)c(-c2nnc(N(C)C[C@@H](C)C#N)n2CCCn2cc(CO)nn2)c1 1554803406 AKIKQNVTIPEJOQ-AWEZNQCLSA-N 489.378 2.486 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NS(=O)(=O)c2cc3c(cc2Cl)CCC(=O)N3)C1 1561453204 BWHBPQZJPSEHCN-WFASDCNBSA-N 454.936 2.262 30 10 JEEE N#C[C@H](c1cccc(Cl)c1)N1CCN(S(=O)(=O)c2ccc3nc(O)nc(O)c3c2)CC1 1561529857 ASFBDQVAEJZPJS-GOSISDBHSA-N 459.915 2.266 30 10 JEEE C#CCN(C(=O)N[C@@H](CC)CNS(C)(=O)=O)[C@@H]1CCOc2ccc(Br)cc21 1564781514 IUQWGUSGHNOHBF-GOEBONIOSA-N 458.378 2.245 30 10 JEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2cccs2)CC1 1587706615 RPLCHNZXGYIVQZ-KRWDZBQOSA-N 450.634 2.076 30 10 JEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(OCCN2CCCC2)CC1 1587765869 MIDWNWJVXYTOQO-FQEVSTJZSA-N 463.648 2.065 30 10 JEEE C#CCCCn1c(Cc2ccc(F)cc2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1587865039 GUVOFKZXEMJGKO-AUSIDOKSSA-N 452.578 2.410 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1c(C)cc(C)cc1C)[C@H]1CCS(=O)(=O)C1 1588049880 MQNAIOOLJRAMPY-FQEVSTJZSA-N 452.584 2.279 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1cc(F)cc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1588064460 IKJNTJBDRVWXMX-HXUWFJFHSA-N 469.542 2.087 30 10 JEEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1ccc(C(F)(F)F)cc1)[C@H]1CCS(=O)(=O)C1 1588069824 SZEXRZLAOFENQD-SFHVURJKSA-N 495.527 2.094 30 10 JEEE C#CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCSC)[C@H]1CCS(=O)(=O)C1 1588074638 PIICOHNDSTWZQZ-KSZLIROESA-N 497.687 2.429 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccccc2OC)n1CC1(N2CCOCC2)CC(OCC)C1 1588117509 JPUUATNQOWAEFF-UHFFFAOYSA-N 463.582 2.296 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H]2NC(=O)CC2(C)C)CC1 1588811139 ASXDELUBGGFWFF-WOJBJXKFSA-N 499.660 2.063 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCCCN2CCC)CC1 1588864976 NUIBZJCXZUVRRD-HXUWFJFHSA-N 469.659 2.289 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2Cc2cc(C)nn2C)CC1 1588961641 HCTHCCQFONKEBG-UHFFFAOYSA-N 461.570 2.222 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C2CC2)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 1589530600 WWKVZIBUTXWDPW-VQTJNVASSA-N 467.636 2.014 30 10 JEEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(S(C)(=O)=O)CCC1 1594963552 USWXSWNPXRFHCX-INIZCTEOSA-N 469.608 2.176 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c([C@H]2CCOC2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1)C(C)C 1595171173 QTLKAFIXHVQRIZ-MLNNCEHLSA-N 456.635 2.443 30 10 JEEE C=CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1595366511 BLVNCJIJKUFVDR-UHFFFAOYSA-N 454.575 2.283 30 10 JEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 1595562435 YXAFGEQDVTZXIB-LJQANCHMSA-N 472.537 2.466 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(=C)CC1 1595659139 TUBRWUCRQIYBPP-OAQYLSRUSA-N 473.599 2.381 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1C[C@@H](OC)C(C)(C)C1 1595789207 PGBKGDVFDDJXFC-QGZVFWFLSA-N 472.571 2.056 30 10 JEEE CCS(=O)(=O)N(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCOCC2(CCC2)C1 1617346189 FUXCNAXYTIBIHW-UHFFFAOYSA-N 472.615 2.495 30 10 JEEE CN(C)C(=O)[C@@H]1CCCN1CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C#N)CC1 1617575086 DUZHJPKOGXZDFY-QHCPKHFHSA-N 490.612 2.411 30 10 JEEE C=CCOC[C@@H](NC(=O)c1cccc(NS(=O)(=O)c2ccc(C)c(F)c2)c1)C(=O)OC 1617949256 ALSNOODPOJIHFO-LJQANCHMSA-N 450.488 2.409 30 10 JEEE N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCN(c3c(Cl)cccc3Cl)CC2)c1 1638553579 ADSRURVJXLYLBA-UHFFFAOYSA-N 453.351 2.492 30 10 JEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@@]2(CC(=O)c3ccccc3O2)C1 1645462585 BDZZVRHNYAYMIR-WAIKUNEKSA-N 453.520 2.252 30 10 JEEE CCc1nc(CN2CCN(CC(=O)N3CCN([C@@H](C#N)c4cccs4)CC3)CC2)cs1 1652729347 HQLWVEUGKSGCHG-IBGZPJMESA-N 458.657 2.294 30 10 JEEE COc1ccc([C@H](CNC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)N2CCOCC2)cc1 1673901652 BJZVSDGNRUYFOH-YADHBBJMSA-N 451.527 2.198 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(COCC(F)(F)F)cc1 1689826868 VYXUYORCOUSLTM-GJZGRUSLSA-N 473.521 2.473 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1CC[C@@H](SCC)C1 1689929713 CPFLSWCAKMPDFP-KSZLIROESA-N 455.650 2.135 30 10 JEEE C#CCN(c1nnc(C(C)C)n1C[C@@H](CC)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1689979467 BQUUZQGBHNFZQY-SJORKVTESA-N 453.609 2.332 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CC[C@H](OC)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1689984045 KDMQLJPLGBDJLD-HOCLYGCPSA-N 460.478 2.441 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@H]1OCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1689992651 NQNJYPWVYZAUCY-WOJBJXKFSA-N 460.575 2.450 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1CCN(C2CC2)CC1 1690006239 LIZYGSSSKFYQRI-UHFFFAOYSA-N 480.638 2.143 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCCn2cc(C)nc21 1690006451 PNWMEMYUTONBQR-OAQYLSRUSA-N 491.621 2.351 30 10 JEEE C#CCN1CCN(c2nnc(CSc3ccc(C)cc3)n2CCS(=O)(=O)CC2CC2)CC1 1690133917 YNXPVSOYEKAAPD-UHFFFAOYSA-N 473.668 2.459 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H]2CC(F)(F)CO2)CC1 1690152245 DJRJRELRLZKLFB-IBGZPJMESA-N 477.487 2.386 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H](C)N2CCC[C@H](C)C2)CC1 1690154069 JANHWBBNMSIQSY-SQOUVECCSA-N 486.661 2.088 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc(C(N)=O)cc1 1690234527 HHKUYPPEQYSEIJ-UXHICEINSA-N 452.559 2.231 30 10 JEEE C=CCN(CCOC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@]1(C)CN(C)C1=O 1690620231 UZRWOSMSDJVJRD-VWLOTQADSA-N 479.585 2.353 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1690725303 LQXONQVMWUXVQO-YADARESESA-N 490.626 2.253 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CC1CCN(Cc2cccs2)CC1 1692542710 GSJATGZAJKDKHS-GOSISDBHSA-N 457.604 2.119 30 10 JEEE COCCN(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1698032558 BEUJCFPZTHXHSY-CJFMBICVSA-N 484.601 2.081 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2CCCN2CCOCC2)c1 1705504558 AEIJTTFJSAQNNF-UHFFFAOYSA-N 459.554 2.119 30 10 JEEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1C[C@@H]1NC(=O)CC1(C)C)[C@H]1CCS(=O)(=O)C1 1705560803 KNJNJQUJMMGJBY-HBMCJLEFSA-N 483.638 2.361 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC[C@](C)(O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1705566880 RLMCTGPNNBWXBK-DPLHUUCSSA-N 472.611 2.444 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(N2CCCC2=O)c1 1705622135 YSRGKOUXAODCAR-UHFFFAOYSA-N 473.537 2.187 30 10 JEEE C#CCN1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2C[C@H](OC)C(C)(C)C)CC1 1705635075 QENHUCNPZRFBIY-IBGZPJMESA-N 487.674 2.363 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H](C)Oc2cccc(OC)c2)CC1 1705643312 ARPWTPINCGPWOZ-JTAQYXEDSA-N 469.586 2.233 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCO[C@H]2CCCC[C@@H]2C)CC1 1705643471 HKVYBZUPAPHIHM-FPOVZHCZSA-N 470.618 2.075 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2Cc2cccnc2OCCOC)CC1 1705646707 NZQXHQNBWCFEFO-UHFFFAOYSA-N 478.553 2.281 30 10 JEEE C#CCSCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1705655268 JVYRVBIGERMCGR-SFHVURJKSA-N 465.526 2.254 30 10 JEEE C=C(C)Cn1c(N2CCN(CC(=O)NC(C)C)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705728327 GLXFKYMAYODXHQ-KDURUIRLSA-N 475.638 2.272 30 10 JEEE C=CCNC(=O)Cn1c(N2CC[C@@H](N3CCCCC3)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705908063 GZWAKZUDCBSXFR-HSALFYBXSA-N 487.649 2.416 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCO[C@H](C(F)(F)F)C1 1705932970 PXYZFSJZWVAMRH-KRWDZBQOSA-N 488.488 2.085 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)ccc2C)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1705938480 ZTFQOVSDGPYVQT-MJGOQNOKSA-N 476.555 2.189 30 10 JEEE CC(=O)N[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ncnn2C(C)(C)C)C1 1706026293 BMAKVVODBFUZIM-IBGZPJMESA-N 477.573 2.228 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3csc(C)n3)n2C[C@@H]2CCS(=O)(=O)C2)c1 1722307650 SLAITXPKHHRKBI-SFHVURJKSA-N 498.634 2.125 30 10 JEEE C#CCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCN(C(=O)OCC)CC1 1722339058 QRTRXXKUIOWXLL-UHFFFAOYSA-N 479.629 2.335 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCC[C@@H]1OC)[C@H]1CCS(=O)(=O)C1 1722361198 FPKAJPQWVMMFIA-BZSNNMDCSA-N 463.991 2.435 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1722434028 KFZVXCVJWUQYLH-LSDHHAIUSA-N 466.405 2.064 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2C[C@](O)(c2ccccc2)C(F)(F)F)CC1 1722439710 MTEAARMXRKKLKD-QHCPKHFHSA-N 470.499 2.469 30 10 JEEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2Cc2c(CC)nn(C)c2OC)CC1 1722440214 FZPTWFCSAARLQP-UHFFFAOYSA-N 477.613 2.180 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2C[C@H]2CN(CC(C)C)CCO2)CC1 1722442991 LLDUWMRLFHJVBO-OAQYLSRUSA-N 468.602 2.169 30 10 JEEE C#CCSCCn1c(-c2ccccc2C)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1722456795 GBIXBWDLFVMCPV-UHFFFAOYSA-N 454.600 2.194 30 10 JEEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCN(CCN2[C@@H](C)CC[C@H]2C)CC1 1722535082 YQFCISOPISJTLN-OYRHEFFESA-N 454.623 2.323 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1722694580 AGYKXSDAEJTUCC-MRXNPFEDSA-N 455.437 2.032 30 10 JEEE CN(Cc1cccc(C#N)c1)c1nnc(-c2ccccn2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1729408408 CXXWUUBLIMOUAO-LJQANCHMSA-N 451.556 2.130 30 10 JEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](CC)C1 1740580645 FIVZBDHEYWNKOC-BZSNNMDCSA-N 482.651 2.431 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@H]1CCOc2ccccc21)[C@@H]1CCS(=O)(=O)C1 1740615452 FCAPOSMVGRHQES-UYAOXDASSA-N 499.637 2.390 30 10 JEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@@H](c1cccc(C)c1)N1CCOCC1 1740658344 LAUAFSXRHRHRDE-DEOSSOPVSA-N 474.609 2.245 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(CC)cc3)n2CCC(=O)NC(C)C)CC1 1740701664 OAPXELIZOVOSDO-UHFFFAOYSA-N 450.587 2.388 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2cc(F)ccc2OC)CC1 1740703032 DLLBHEPEGZEFGY-VWLOTQADSA-N 485.560 2.092 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1740755986 MWYMVSVOMNIMHB-DBQGFPOUSA-N 456.543 2.295 30 10 JEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cc(OC)c(OC)c(OC)c2)CC1 1740832959 JLJPJOMHBKRHSO-OAHLLOKOSA-N 479.603 2.365 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(c2ncc(F)cn2)CC1 1740951730 MEQJXOMVFMBDAZ-INIZCTEOSA-N 484.511 2.115 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1740954597 BUQYPHRUPXVLJK-LJQANCHMSA-N 494.600 2.389 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(C(=O)Nc2ccccc2)CC1 1740958190 KKSAEIVKPQYLLK-LJQANCHMSA-N 452.559 2.329 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCN(c2ccccc2C#N)CC1 1740992849 ONGJTEYOEBWTRX-UHFFFAOYSA-N 477.594 2.063 30 10 JEEE CC(C)(C)OC(=O)N1CC(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(CC#N)CC2)C1 1741211017 CZXZNVDQBABWOH-SFHVURJKSA-N 478.619 2.177 30 10 JEEE COc1cc(Cl)ccc1-c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1748550784 ASPDHVGJMAMJDK-XOBRGWDASA-N 482.969 2.331 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2Cc2ccc(N(C)C)nc2)c1 1748692028 BMDVZKQLTFTLIN-UHFFFAOYSA-N 469.553 2.244 30 10 JEEE C#CCCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@@H](NC(C)=O)C1 1748701137 DIBLKUGAZNELNE-LJQANCHMSA-N 471.631 2.455 30 10 JEEE C#CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CC(=O)NCC(F)(F)F 1748779908 YBVMHRBQXHUEBB-UHFFFAOYSA-N 460.254 2.464 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCc1cc(C)ccc1OC)[C@H]1CCS(=O)(=O)C1 1748823899 FAHRMMZUIINORM-PZJWPPBQSA-N 458.584 2.316 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@@H]1CCO[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1748824555 QFETVTNIICPNAQ-IPMKNSEASA-N 476.574 2.438 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCCN1CC 1748887042 QSQVIMOGRQZCCF-IBGZPJMESA-N 453.616 2.185 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CCS(=O)(=O)C1 1748926909 YCKHWGSZOSNVJF-MSOLQXFVSA-N 465.620 2.287 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H]2CCCCN2CCCC)CC1 1748979260 WVQYLZXGNGFKTD-DHLKQENFSA-N 458.651 2.340 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cnn(-c3ccccc3)c2)n1CCS(=O)(=O)N(C)C 1749064021 KYIDBPWMYFAYOX-JOCHJYFZSA-N 453.572 2.014 30 10 JEEE C=CCC(C)(C)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCN(CC(=O)NCC)CC1 1749370337 HEHYNNYMVBDLBH-UHFFFAOYSA-N 464.618 2.377 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CC[C@@H](C(N)=O)C1 1749724216 HUVCZPONDPAVBH-LJQANCHMSA-N 482.610 2.265 30 10 JEEE CS[C@H](C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2oc(C3CC3)nc2C#N)CC1 1750229887 FLCYQHMRURLMOJ-CQSZACIVSA-N 458.592 2.231 30 10 JEEE CC(C)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCSC2)[C@@H](C)C1=O 1750836589 HULPRVFLKKYSPG-GAJHUEQPSA-N 454.600 2.378 30 10 JEEE C#CCN(c1nnc(COCC)n1C[C@H](C)Oc1ccccc1F)[C@H]1CCS(=O)(=O)C1 1760193135 UUAUSVYOCRFKQZ-IRXDYDNUSA-N 450.536 2.048 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccnc1OC1CCCC1 1760219337 BITTWQJLYZNDGJ-FQEVSTJZSA-N 467.595 2.408 30 10 JEEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1760224221 CAQPETGNWOFWRR-INIZCTEOSA-N 465.480 2.038 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CC(F)(F)CO1 1760240653 XZKIXZAGWFBBOZ-WMLDXEAASA-N 471.505 2.091 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1Cc1cnn(C)c1C 1760247611 IHJZDSBEXYECKK-UHFFFAOYSA-N 474.569 2.412 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCCn2nc(C)cc2C)CC1 1760270365 VYLNXOHRHJQGPG-OAQYLSRUSA-N 453.591 2.042 30 10 JEEE C=CCN(C)c1nnc(Cc2c[nH]c3ccccc23)n1CCS(=O)(=O)N1CCSCC1 1760466481 WBLRHUZQPCNXSO-UHFFFAOYSA-N 460.629 2.351 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(C)=O)C[C@H]1C)C(C)C 1760488301 RFTGZXBFAWDOSU-IFMALSPDSA-N 471.650 2.270 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C 1760505343 RQYDNAPLNVLJLC-IRXDYDNUSA-N 471.624 2.074 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCn2nc(C)nc2C1 1760516408 MSUCRTAJBPPJJT-AWEZNQCLSA-N 456.938 2.294 30 10 JEEE CC(=O)N1CCCN([C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3C[C@@H](C)N(C)C)C[C@@H]2C)CC1 1760601435 BKIWRCDBXBSGQP-DCLXLUIPSA-N 478.645 2.146 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCNC(C)=O)[C@H]2c2ccc(O)c([N+](=O)[O-])c2)cc1OC 1862577940 BCBXNTHVLYPNOR-FQEVSTJZSA-N 485.449 2.032 30 10 JEEE COc1cc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2CCNC(C)=O)cc(OC)c1OC 1862762906 VCPFVNJCBMFJBR-HXUWFJFHSA-N 499.476 2.335 30 10 JEEE C=CCN(CC=C)C(=O)[C@](C)(CC)NC(=O)CCS(=O)(=O)c1ccc(OC)c(OC)c1 1868739920 WGVIDTUBXJSFKR-QFIPXVFZSA-N 452.573 2.353 30 10 JEEE C[C@H]1CN(C(=O)[C@@H](Cc2c[nH]c3ccccc23)N=C2NS(=O)(=O)c3ccccc32)C[C@@H](C)O1 1869927918 ICSFAGIFBHEGCK-VWKPWSFCSA-N 466.563 2.454 30 10 JEEE C=CCn1cc(OCCCN2C(=O)c3ccccc3C2=O)c(=O)cc1CN1CCN(CC)CC1 1870375881 PZIJUAAIMBBWHP-UHFFFAOYSA-N 464.566 2.237 30 10 JEEE Cc1nc(C#N)cc(-n2c(C)nc(I)c2I)n1 1941546159 WESIXXAPZHGCAF-UHFFFAOYSA-N 451.009 2.360 30 10 JEEE N#CCCOCCOCCOCCOCCOCCNC(=O)OCC(Cl)(Cl)Cl 2060432706 RARKFRPWAJZEEA-UHFFFAOYSA-N 465.758 2.079 30 10 JEEE CC(C)(C)OC(=O)N1CC(O)([C@@H](F)C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2124538264 HTCANLZNZKFOCJ-INIZCTEOSA-N 450.316 2.244 30 10 JEEE C#CC[C@H]1COCCN1C(=O)c1cc(I)cc(I)c1O 2177438209 QIGGBJPGKJJINM-JTQLQIEISA-N 497.070 2.466 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NC[C@@H]2C[C@@H](OC)CN2C(=O)OC(C)(C)C)C1 2255196754 KPCPSWLFRPPWKP-GBXAEXGJSA-N 451.564 2.434 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@](O)(CNC(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2255705618 XVKDTRWJVCBGBU-NRFANRHFSA-N 452.382 2.149 30 10 JEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2255875065 QUNMDTLHZFEONV-LSDHHAIUSA-N 452.382 2.411 30 10 JEEE CC(C)(C)OC(=O)N[C@]12C[C@@H]1CN(S(=O)(=O)c1cc(B3OC(C)(C)C(C)(C)O3)cs1)C2 2255948397 LORKHNGJAQLVNG-XCLFUZPHSA-N 470.422 2.335 30 10 JEEE C[C@@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2256628948 OPKVGGSTIWRECF-IOASZLSFSA-N 454.398 2.499 30 10 JEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H]1COCC[C@@H]1NC(=O)OC(C)(C)C 2266999273 LZIHTEBUISPWRL-JKSUJKDBSA-N 450.341 2.299 30 10 JEEE Cc1cc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2O)sc1B1OC(C)(C)C(C)(C)O1 2267229555 AHLYGSRDOOWTJG-CABCVRRESA-N 466.409 2.456 30 10 JEEE C[C@H](CNC(=O)OC(C)(C)C)NS(=O)(=O)c1c(F)cc(F)cc1B1OC(C)(C)C(C)(C)O1 2267411673 CECZXQAVBAFXQI-GFCCVEGCSA-N 476.351 2.456 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CC(F)(F)C1 2267523291 ZGVWQJUNWSHQMU-LBPRGKRZSA-N 456.299 2.083 30 10 JEEE C[C@H]1[C@H](NC(=O)C(F)(F)F)CCCN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2267717080 XEZIOSVAOZLQPI-WCQYABFASA-N 482.355 2.267 30 10 JEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)N1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2268649500 DDSKJKZIZDKXCW-BETUJISGSA-N 467.401 2.121 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(CNC(=O)C2(NC(=O)OC(C)(C)C)CC(O)C2)s1 2268705125 GKMOWQYHISSLMX-UHFFFAOYSA-N 466.409 2.390 30 10 JEEE CC(C)(C)OC(=O)N[C@H](C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1)[C@@H](O)C(F)(F)F 2280057704 QVWVROOYKDKNJC-UONOGXRCSA-N 475.273 2.136 30 10 JEEE Cn1cc(C(=O)NC[C@]2(F)C[C@H](CNC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2282045011 XPXFKVSCHRCLPB-CAJLXGCNSA-N 466.363 2.092 30 10 JEEE CCn1cc(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)n1 2282063100 HPAQYPWRLQISGG-HUUCEWRRSA-N 460.384 2.140 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@@](F)(CNC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2282177712 IVLCDVZXUBNOPZ-JOCHJYFZSA-N 464.347 2.245 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)c(F)c2)C1 2282326207 PDJKVDDDWBCFLR-FPTDNZKUSA-N 482.383 2.413 30 10 JEEE CC(C)(C)OC(=O)N[C@]12C[C@H]1CN(S(=O)(=O)c1ccc(F)c(B3OC(C)(C)C(C)(C)O3)c1)C2 2282503400 ZMVFWOUDADJYHC-FPTDNZKUSA-N 482.383 2.413 30 10 JEEE CN(CCN1CCN(C(=O)OC(C)(C)C)CC1)C(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2282523410 YGRBAKYAPADCQU-UHFFFAOYSA-N 480.440 2.067 30 10 JEEE CC(C)(C)OC(=O)N1CCC(CO)(CNC(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)CC1 2282529331 FCVMRFORKXWHLX-UHFFFAOYSA-N 481.424 2.182 30 10 JEEE CCn1cc(C(=O)N2C[C@H]3CCN(C(=O)OC(C)(C)C)[C@H]3C2)nc1B1OC(C)(C)C(C)(C)O1 2282530519 VRCRXZXEKUDLCA-WBVHZDCISA-N 460.384 2.284 30 10 JEEE Cc1c(C(=O)NC[C@@H]2[C@@H]3C[C@@H]3CN2C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282588697 WPRSDFVBZYJWRJ-BZUAXINKSA-N 460.384 2.013 30 10 JEEE CC[C@](C)(O)CN(Cc1ccccc1)S(=O)(=O)c1nc(C)n(C)c1B1OC(C)(C)C(C)(C)O1 2282843105 IFAZRXAAODEHPB-QHCPKHFHSA-N 477.436 2.380 30 10 JEEE CN(C[C@]1(O)CCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282855293 BVOHYHMRCYTOAE-HSZRJFAPSA-N 492.472 2.305 30 10 JEEE C=C(CS(=O)(=O)N[C@H]1CN(C(=O)OC(C)(C)C)Cc2nccn2C1)B1OC(C)(C)C(C)(C)O1 2282876921 KNXPKBCLHOCJAR-MRXNPFEDSA-N 482.412 2.109 30 10 JEEE C[C@H](NC(=O)C1(CO)CN(C(=O)OC(C)(C)C)C1)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2283970826 VXUZZNCIXASVIB-INIZCTEOSA-N 460.380 2.392 30 10 JEEE CC(C)(C)OC(=O)N1Cc2nncn2C[C@@H]1C(=O)N[C@@H]1CCC=C1B1OC(C)(C)C(C)(C)O1 2284057215 VUJTUOIGWCAIEV-HZPDHXFCSA-N 459.356 2.234 30 10 JEEE O=C(C=Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 2325630927 PDYYKMUOOYBAMT-UHFFFAOYSA-N 479.898 2.490 30 10 JEEE CC(C)(C)N1C[C@@H](c2nnc(SCC(N)=O)n2N=Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1=O 2327829831 DQKXHEAEYLFWDW-LBPRGKRZSA-N 479.950 2.414 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@]12CCC[C@@H]1N(C(=O)OC(C)(C)C)CC2 2362344497 SDQVDWPMHZFWQK-NPMXOYFQSA-N 460.384 2.381 30 10 JEEE CN[C@@H](C#Cc1ccc(Br)cc1)C1(S(C)(=O)=O)CN(C(=O)OC(C)(C)C)C1 2379817206 QNKOBWNPDUOWSE-INIZCTEOSA-N 457.390 2.423 30 10 JEEE COc1ccc(-c2nnc3ccc(OCCNC(=O)COc4ccccc4C#N)nn23)c(OC)c1 13706709 GFPSFRJMLIQESB-UHFFFAOYSA-N 474.477 2.254 30 10 JEEE CC(=O)NCc1ccc(C(=O)N/C(=N/c2ccc3c(c2)OCCO3)NC[C@@H]2CCCO2)cc1 15828172 DVRXYJDSZUUSOC-FQEVSTJZSA-N 452.511 2.280 30 10 JEEE C=CCn1c(S[C@@H](C)C(=O)N(C)CC(=O)NC2CC2)nnc1[C@H]1COc2ccccc2O1 23518214 FJSTZBPMAUFXFB-KBXCAEBGSA-N 457.556 2.194 30 10 JEEE CCOc1ccc([C@@H]2/C(=C(/O)c3cccc([N+](=O)[O-])c3)C(=O)C(=O)N2CCOCCO)cc1 103129725 BNBQXUAONRDKEX-GOBJLOIFSA-N 456.451 2.424 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)N(Cc3ccc(OC)cc3)[C@H]3CCS(=O)(=O)C3)cc2C1=O 491094393 QZOFREQGNZDXLA-SFHVURJKSA-N 468.531 2.307 30 10 JEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2csc3ccccc23)c(=O)n1C[C@@H]1CCCO1 589759693 YQHURWMLHNNJFS-INIZCTEOSA-N 451.573 2.109 30 10 JEEE COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc([C@H]3C[C@H]3C)o2)c(=O)n1Cc1ccccc1 610487561 POTKOWHILLNEEP-XLIONFOSSA-N 477.586 2.330 30 10 JEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NC2CCN(Cc3ccccc3)CC2)CC1 616170445 WIFGQKKMKQDYKS-UHFFFAOYSA-N 467.595 2.239 30 10 JEEE N#C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1)C(=O)[C@H]1CCCN(C(=O)C2CC2)C1 729887772 CFBDIIZIQILBDW-GHTZIAJQSA-N 486.594 2.157 30 10 JEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](Oc3ccnc(CN(C)C(C)C)c3)C2)cc1 856661395 DZHDGDFSDMUYNP-JOCHJYFZSA-N 470.595 2.127 30 10 JEEE N#Cc1c(NC(=O)CSc2nnc(NN=Cc3cccnc3)n2N)sc2c1CCCC2 1084577603 NSMKETHXDRXGBY-UHFFFAOYSA-N 453.557 2.376 30 10 JEEE COC(=O)c1ccc(C=NNc2nnc(SCCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2N)cc1 1084638217 UDJYULPVXSFWNL-UHFFFAOYSA-N 484.498 2.254 30 10 JEEE CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1 1201249272 BKGXDBQCNLDKIH-BEFAXECRSA-N 451.483 2.320 30 10 JEEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@H]1CCOC[C@@H]1OC 1286369403 OQJFKUCJJUZATF-PXNSSMCTSA-N 450.543 2.186 30 10 JEEE C#CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1cccc(OCC(N)=O)c1 1286374838 PHMVVQMNXFRWOK-IBGZPJMESA-N 482.585 2.374 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H]1CCCS1)[C@H]1CCS(=O)(=O)C1 1286382416 JFSQBPCLTRDJCZ-FXAWDEMLSA-N 476.624 2.485 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H](C)Oc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1286398936 UDXQZTFKUUHPQN-YVWKXTFCSA-N 462.547 2.363 30 10 JEEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@]1(O)CCC[C@@H]1C 1286466432 GQISWMWVDWSIPG-YADARESESA-N 453.591 2.089 30 10 JEEE C#CCSCCn1c(N(C)[C@H]2CCCN(c3cccnn3)C2)nnc1[C@]1(OCC)CCOC1 1286510570 XEVYZRGNZQRDCL-CVDCTZTESA-N 471.631 2.192 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@H](C)C[C@H]1CC 1286819555 NXPVFDMBFNSSMC-IAGOWNOFSA-N 470.599 2.418 30 10 JEEE C=CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C)C(=O)[C@H]1C 1286832756 YQONDGOBDMOECY-IAGOWNOFSA-N 480.635 2.173 30 10 JEEE C[C@@](O)(Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1)c1cccs1 1288895779 FYIKBVKAYGZCFE-JOCHJYFZSA-N 486.623 2.304 30 10 JEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(Cc3cc(OC)ccc3OC)CC2)c1 1290647095 PTWABTNFUSJZNP-UHFFFAOYSA-N 456.564 2.459 30 10 JEEE CCN1CCCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1296094794 FUJWWFCPLXAYNR-PZJWPPBQSA-N 472.615 2.226 30 10 JEEE C#CCN(c1nnc(-c2ccc(Br)cc2)n1C[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1300483451 LRVZLZVJVFLICV-CRAIPNDOSA-N 479.400 2.371 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1cccnc1-n1cccn1)[C@H]1CCS(=O)(=O)C1 1300495665 JFJMZVCTVBWVCF-IBGZPJMESA-N 467.599 2.122 30 10 JEEE C#CCN(c1nnc([C@H]2COc3ccccc3O2)n1CCN(C)CCCC)[C@@H]1CCS(=O)(=O)C1 1300495681 JJIUBFGLXRSMMX-DENIHFKCSA-N 487.626 2.149 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@H](C)SC)[C@H]1CCS(=O)(=O)C1 1300503036 ADAHHHHEMDOBAJ-WMZOPIPTSA-N 459.597 2.107 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1OC(F)(F)F 1300557827 YPIJSVDDXPAQKW-OAHLLOKOSA-N 469.489 2.298 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCOC1CCOCC1 1300618549 IEAIGSSETUQKRA-UHFFFAOYSA-N 450.543 2.237 30 10 JEEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1OCCC1(C)C 1300666054 SCMRNHJVKKOWAB-HXUWFJFHSA-N 453.591 2.353 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCC[C@H]1C 1300671770 ORWXLGMDELJVSJ-UXHICEINSA-N 476.622 2.157 30 10 JEEE C=C(Br)Cn1c([C@H]2CCCCO2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1300843086 AROZAEFPXAZMED-MRXNPFEDSA-N 476.379 2.249 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccccc2OC)nnc1N1CCN(C(=O)COC)CC1 1300896931 LZMHRXHQSBJXGW-CYFREDJKSA-N 485.585 2.142 30 10 JEEE C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)c2ccccc2OCC)CC1 1300925876 IUXGYHWXRIBJLZ-UHFFFAOYSA-N 452.559 2.451 30 10 JEEE C=C(C)Cn1c(N2CCN(CC(=O)N3CCCCCC3)CC2)nnc1[C@@]1(OCC)CCOC1 1300970076 JKZAQXNYLHKEHM-XMMPIXPASA-N 460.623 2.031 30 10 JEEE CCc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CCN1CCN(C)C(C)(C)C1 1306179805 CYQPMTOGBSDQKP-UHFFFAOYSA-N 464.662 2.450 30 10 JEEE N#C[C@H]1CN(c2nnc(Cc3ccccn3)n2Cc2ccnc(OCC(F)(F)F)c2)CCO1 1316538835 ATFCXDUKECFTBN-KRWDZBQOSA-N 459.432 2.377 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1Cc1ccc(C)nc1)[C@@H]1CCS(=O)(=O)C1 1358965621 YIWNFCUPRMKFRP-LJQANCHMSA-N 456.597 2.012 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1nnc(C)s1 1358991698 LJBRFSYLLXOWIN-UHFFFAOYSA-N 458.551 2.346 30 10 JEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](C(CC)CC)N2CCOCC2)CC1 1359038331 RYGBWZQDMFPJRG-DEOSSOPVSA-N 482.677 2.032 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2CCn2ccnc2C)CC1 1359046853 IEIFPFRPUPBHDF-UHFFFAOYSA-N 461.570 2.336 30 10 JEEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1359057961 NWHCBPSPBMTCQF-HNNXBMFYSA-N 469.583 2.032 30 10 JEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(-n3nc(C)cc3C)nc2)CC1 1359159266 RNBDULXUDMKDKP-GOSISDBHSA-N 470.603 2.291 30 10 JEEE C=CCCOCCn1c(-c2cccn2C)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1359224843 FAEGDIFOUGBRCB-NFBKMPQASA-N 469.634 2.255 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCC2(CC1)CNC(=O)C2)C(C)C 1359266334 YRABZQHXFORFKK-OAQYLSRUSA-N 466.634 2.484 30 10 JEEE C=CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CCN2CCOC[C@H]2C1 1359338084 LBAPMWRSTGCTNF-MRXNPFEDSA-N 467.437 2.486 30 10 JEEE C=C[C@@H]1OCC[C@H]1NC(=O)c1cccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c1 1460069856 XVIZLNUSUKOMSE-PKTZIBPZSA-N 455.580 2.266 30 10 JEEE Cc1ccc(NC(=O)N2CCN(c3cc(C#N)ccn3)CC2)c(C)c1S(=O)(=O)NC1CC1 1465691191 BAENMHVOEVJBLR-UHFFFAOYSA-N 454.556 2.365 30 10 JEEE CC(C)(C)OC(=O)N1CCN(CCOc2ccccc2NC(=O)N2CC(O)(CC#N)C2)CC1 1476713593 DHKKOKVEZSYOPI-UHFFFAOYSA-N 459.547 2.110 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCC[C@H](O)C1 1504873613 IAJFSDAUNDIZLX-HKBOAZHASA-N 452.559 2.305 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCSC1)[C@H]1CCS(=O)(=O)C1 1507624555 BMJORFMBBYSZLD-ZFWWWQNUSA-N 484.445 2.416 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CC1(O)CCCCC1)[C@H]1CCS(=O)(=O)C1 1507627070 CLBSREWURRWWFG-FQEVSTJZSA-N 453.568 2.139 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1CCN(CC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1507634158 LSIAGORGGXBJCQ-HXUWFJFHSA-N 459.591 2.119 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)cc1C(F)(F)F 1507654118 WCLNOBGZIQIYSF-INIZCTEOSA-N 466.485 2.329 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 1507750896 HGCHHCZNXGHKCD-RBUKOAKNSA-N 462.645 2.201 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1507811183 OARTYSKAFDYZRP-UWJYYQICSA-N 458.563 2.491 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(C(=O)NCCCOC)CC1 1507824507 AQDBUXOQPGHSIS-UHFFFAOYSA-N 475.615 2.294 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1507824521 BHCWEHOHYGSQLI-UHFFFAOYSA-N 471.587 2.328 30 10 JEEE C=C1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CCCNS(C)(=O)=O)CC1 1507878490 XVHKUNZFNAOXLH-UHFFFAOYSA-N 465.576 2.067 30 10 JEEE C=CCN(CCc1ccco1)c1nnc(-c2cccn2C)n1C[C@H]1CCN(S(C)(=O)=O)C1 1508028643 VDGGDEJOUPXXDN-SFHVURJKSA-N 458.588 2.393 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCCN(C(C)=O)CC1 1508072916 HYMIUJAUUQJPTA-GOSISDBHSA-N 470.574 2.178 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](C(C)C)C1 1508090839 KDYOQKHDDPYVRI-ROUUACIJSA-N 462.595 2.371 30 10 JEEE C=CCOc1ccc(Cn2c(Cn3nc(C)cc3C)nnc2N2CCO[C@@H](CNC(C)=O)C2)cc1 1508105540 QVKZBJFYIDYTEP-QHCPKHFHSA-N 479.585 2.094 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(CCCO)CC1 1508135032 DEUDWLKKBHIAIW-UHFFFAOYSA-N 476.599 2.306 30 10 JEEE Cc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2CCCCS2(=O)=O)cc1C 1511004490 ATZYMPKEBNQUCX-PMACEKPBSA-N 459.572 2.170 30 10 JEEE CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCC[C@H]2C)CC1 1513194177 ALZSEWIOJAELCR-BVFVYWQFSA-N 479.629 2.405 30 10 JEEE CCc1ccccc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1 1513673160 CTSUPFSHWLEXGZ-NRFANRHFSA-N 472.615 2.352 30 10 JEEE CC[C@H]1CCCN1c1nnc(COc2ccc(C#N)cc2)n1CCN1CCN(C(C)=O)CC1 1514081450 FYNGEFWBGUVJKM-NRFANRHFSA-N 451.575 2.272 30 10 JEEE COc1cc(N2CCS(=O)(=O)CC2)ccc1NC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1 1529523762 GAXUCHMCBPHGNU-NRFANRHFSA-N 454.552 2.409 30 10 JEEE C#CCN(c1nnc(-c2ccccc2)n1CCCN1C[C@H](C)O[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1539210846 GVLJWFKADCOZQJ-JAXLGGSGSA-N 471.627 2.071 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1CCC(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 1539211721 KJOPUQCXTBRAAX-MRXNPFEDSA-N 481.981 2.279 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@]2(N(C)C)CCSC2)CC1 1539440965 GFQFSKDCCXWIDI-DEOSSOPVSA-N 470.643 2.155 30 10 JEEE C=C(C)COCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCN(C(C)=O)CC1 1539744237 GKGAUPLHOCVXRX-UHFFFAOYSA-N 479.585 2.326 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCNC(=O)c2cccc(C)c2)CC1 1539890031 HLGJJQPXLKZHMB-FQEVSTJZSA-N 457.600 2.321 30 10 JEEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2nccs2)C1 1539966009 DBXZOQLCLSCXKV-SJORKVTESA-N 482.632 2.002 30 10 JEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H]1COc2ccccc2O1 1540035983 IZKGKFFLMSNSBM-MSOLQXFVSA-N 462.572 2.049 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CC(=O)N(CCOC)C1 1540087810 BDWKCMJILNRNME-MSOLQXFVSA-N 462.595 2.467 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1540870608 RACIZJCIWHQECI-LJQANCHMSA-N 455.519 2.057 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1540874889 VEPYJFCFUWGLHF-UHFFFAOYSA-N 468.602 2.471 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1540900004 IMBGKWISMJGMQU-QHCPKHFHSA-N 486.598 2.040 30 10 JEEE COc1ccc(CC(=O)N2CCN(c3ccc(C#N)c(C(F)(F)F)c3)C[C@H]2C(N)=O)cc1OC 1548368080 QTFPQMSKWMAGSG-SFHVURJKSA-N 476.455 2.339 30 10 JEEE CN(C[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)CCCO2)C1)S(C)(=O)=O 1554228852 HVESPCNXVWLQTN-AUSIDOKSSA-N 472.615 2.494 30 10 JEEE C#CCCN(CC(F)(F)F)C(=O)CCc1c(C)nn(-c2ccc(S(N)(=O)=O)cc2)c1C 1556114687 IHRXOLNVHZOPHC-UHFFFAOYSA-N 456.490 2.483 30 10 JEEE Cc1c(S(=O)(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cnn1-c1ccccn1 1561205566 AHJJVXGBRKQBNP-UHFFFAOYSA-N 450.524 2.487 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CC(C)(C)CN(C)C)[C@H]1CCS(=O)(=O)C1 1588040741 PXOUTKUIBBZHTC-IBGZPJMESA-N 459.616 2.168 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc3ccccc3n2)n1CCN/C(O)=C1\N=CC=CC1=O 1588205816 WJCPURIDQZXKMV-WJTDDFOZSA-N 465.517 2.483 30 10 JEEE C#CCN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC(=O)NCC(F)(F)F 1588458089 CJHUTUFMAQQAMU-OKILXGFUSA-N 458.485 2.187 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2Cc2ccccc2CN2CC[C@H](O)C2)CC1 1588930043 LYQMQXXMBJQDDP-DEOSSOPVSA-N 492.668 2.447 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCC(=O)NC(C)C 1589171644 MYXLSEJOZWUYGN-HSZRJFAPSA-N 472.615 2.102 30 10 JEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(OC[C@H]2CCCCO2)CC1 1594732518 FQQFXOITBCWSEK-NHCUHLMSSA-N 497.662 2.132 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)CCC2CCCC2)CC1 1595545471 XOHWWKOMPWXEBZ-HXUWFJFHSA-N 458.607 2.093 30 10 JEEE CCC[C@](C)(O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1614333560 DGLQVGHVMSNTOH-JPYJTQIMSA-N 455.538 2.118 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)s1 1628185985 YYYGTRCEDWIRSN-UHFFFAOYSA-N 450.542 2.012 30 10 JEEE C=CCNC(=O)c1ccccc1NC(=O)CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 1629246088 KBBNNDNZOVCEGN-UHFFFAOYSA-N 457.430 2.418 30 10 JEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C)[C@H](C)c1cccc(N2CCOC2=O)c1 1635235790 AVWIFVMZKVSFCA-JKSUJKDBSA-N 456.524 2.401 30 10 JEEE C=CCNc1ncc(C(=O)N2CCN(C(=O)N3CCN(Cc4ccccc4)CC3)CC2)s1 1641462422 SWJPCHRJCJPVDW-UHFFFAOYSA-N 454.600 2.437 30 10 JEEE C#CCN1CCN(C(=O)CN2CCN(c3cccc(OCc4ccc(F)cc4)c3)CC2)CC1 1657336392 NQPJCEVRBWHRCK-UHFFFAOYSA-N 450.558 2.304 30 10 JEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)c(OC)c1 1659301146 HKQOGDAKEZXCHS-UHFFFAOYSA-N 451.545 2.289 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1ccsc1)N(CC)CC 1689853127 PNZYMFJZQKLFBE-DFQSSKMNSA-N 494.687 2.214 30 10 JEEE C#CCN(c1nnc(C)n1Cc1c(C)nn(Cc2ccccc2)c1C)[C@H]1CCS(=O)(=O)C1 1689980192 NMKPUVGGQHDFTP-NRFANRHFSA-N 452.584 2.123 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@H]2CCCO2)CC1 1690228822 GPKPXSIYOXWIOK-HZPDHXFCSA-N 459.410 2.484 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)C[C@H](C)C(=O)NC 1690245745 MLAMCLUXZGJWND-SVMVAKDDSA-N 493.612 2.474 30 10 JEEE C=C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCOCCS(C)(=O)=O)CC1 1690362655 LCEONHUDYUXPGE-UHFFFAOYSA-N 482.006 2.079 30 10 JEEE Cc1cc(C)n(Cc2nnc(N(C)C[C@@H](C)C#N)n2Cc2ccc(N3CCO[C@H](C)C3)nc2)n1 1693415934 HNQJUGIBVZXEDW-FXAWDEMLSA-N 463.590 2.404 30 10 JEEE COCCN1C[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCO[C@H](C(C)(C)C)C2)CC1=O 1698077796 DNCQBYLJXNMQTC-IRLDBZIGSA-N 496.612 2.475 30 10 JEEE N#C[C@@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCOc2ccc(F)c(Cl)c2)C1 1698483613 GQYYWXJTPUWBCV-DJJJIMSYSA-N 471.917 2.494 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](C)Oc2ccc(C)cc2)CC1 1705649252 QMWDFBVEHHIJQT-IBGZPJMESA-N 461.570 2.420 30 10 JEEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCCN(C(C)C)CC1 1705659464 XDMGDMMYBSXSTJ-UHFFFAOYSA-N 465.627 2.479 30 10 JEEE C#CCSCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN(C(=O)NC)CC1 1705662263 UUCCKWUXTIWGEC-UHFFFAOYSA-N 491.662 2.220 30 10 JEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCNC(=O)c2ccc(C)cc2)CC1 1705780887 JVOLUXUMCSBSJP-QGZVFWFLSA-N 460.604 2.029 30 10 JEEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(F)(F)CNC(=O)OC(C)(C)C)C1CC1 1705855227 YKPLVDVSPBOYLE-CQSZACIVSA-N 475.562 2.495 30 10 JEEE C=CCN(Cc1cccs1)c1nnc(C(=O)Nc2ccccn2)n1CC1(C(N)=O)CCOCC1 1705864331 YEZPGLLVLBKSSS-UHFFFAOYSA-N 481.582 2.462 30 10 JEEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1705906641 LCNUQMRBPNJZBM-UHFFFAOYSA-N 487.626 2.405 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@@H]1c1nncn1C 1705933357 DOLLSSKUERVKRR-GOSISDBHSA-N 457.560 2.025 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)NC1CCCCC1 1722296082 NNOJKVWLAVBNGP-MJGOQNOKSA-N 474.606 2.493 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CCN(CC)C(C)C)c1 1722308445 AAXAJUHGSHYRDK-HXUWFJFHSA-N 451.575 2.016 30 10 JEEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1722338735 SKADXXKPAAAXIR-UHFFFAOYSA-N 488.552 2.199 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1CCc1cccc(F)c1F)[C@H]1CCS(=O)(=O)C1 1722362470 UVKQSYKKFJPLRB-KRWDZBQOSA-N 459.522 2.431 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1CCc1nccs1)[C@H]1CCS(=O)(=O)C1 1722372013 NXBYWBDSAASINF-IBGZPJMESA-N 455.609 2.389 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCCCS1(=O)=O 1722376016 ISJRLONIAGQABH-HNNXBMFYSA-N 450.362 2.076 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(CN2CCCC2=O)cc1 1722387408 LLHQXPSZCGDVBD-UPVQGACJSA-N 461.566 2.246 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(c2ccc(F)cc2)CCOCC1 1722428700 JBBDMXNBWFRCGM-IBGZPJMESA-N 490.601 2.154 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCN(C)C2CCCCC2)CC1 1722440492 HYCCHNXTLSXWMR-UHFFFAOYSA-N 492.628 2.156 30 10 JEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 1722453478 UOWKUTFKZRLBMJ-IBGZPJMESA-N 485.589 2.420 30 10 JEEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1722465887 VXBSGFMUGWGDRR-WZONZLPQSA-N 453.568 2.479 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1722695698 MVCSVYPYFRFHCX-HNNXBMFYSA-N 472.977 2.404 30 10 JEEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCc2cc(OCC(C)(C)F)ccc2C1 1722701729 BGHIFWDIDMHWLE-UHFFFAOYSA-N 484.576 2.392 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H]1c1ccc(OC)cc1OC 1722727762 QNHVFPFOAZMZBC-RTBURBONSA-N 489.598 2.189 30 10 JEEE CC(C)OCCS(=O)(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(C)CC2)CC1 1723732058 GUEKSJLLICAYBW-UHFFFAOYSA-N 472.615 2.494 30 10 JEEE CCCCN(C)CCn1c(-c2ccc[nH]2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1728039093 BNDUMWBYBHXURW-UHFFFAOYSA-N 450.595 2.245 30 10 JEEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)NCc2ccccc2)CC1 1740590076 JCEPLELNDPSMDJ-JOCHJYFZSA-N 450.587 2.024 30 10 JEEE C#CCN(c1nnc(COc2ccc(Br)cc2)n1CCCOC)[C@H]1CCS(=O)(=O)C1 1740628793 UNJJSVLLENYUOU-KRWDZBQOSA-N 497.415 2.283 30 10 JEEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1740712133 XXRRNVCWOMRHPB-SFHVURJKSA-N 475.640 2.068 30 10 JEEE C=C(Cl)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCCN(C(C)=O)CC1 1740808975 FKDYMWUOEHZRQF-UHFFFAOYSA-N 455.950 2.486 30 10 JEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](c2cccs2)N2CCOCC2)CC1 1740818883 XSYPHLZMPPXYMQ-QZTJIDSGSA-N 480.660 2.180 30 10 JEEE C=CCC(C)(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1740845040 BZRDQVDJWXGSJP-UHFFFAOYSA-N 496.612 2.492 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1740959502 XXKBDUFXKFGZJV-DLBZAZTESA-N 470.578 2.167 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1740989569 RDPYCTFJRHRRQC-UHFFFAOYSA-N 477.594 2.448 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCC[C@H]1CC)[C@@H]1CCS(=O)(=O)C1 1748805083 NYLYFURGFXTHFC-AWWSKVOZSA-N 464.632 2.383 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1CCCN1CCCCC1=O 1748964037 FFAHKSFGDBZBQV-NRFANRHFSA-N 453.543 2.279 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccc(C)cc2OCC)CC1 1748977709 AESVFOHGVCNDQN-RUZDIDTESA-N 453.587 2.441 30 10 JEEE C=CC1CCN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(C(=O)NCC(N)=O)cc2)CC1 1749345952 XZYRDOYURJUWIV-UHFFFAOYSA-N 479.610 2.300 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC(F)(F)CO1 1749537505 ISVOKPBYFFCZGB-RTBURBONSA-N 497.568 2.228 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1749690566 UHGKDZGCHDNOAZ-FQEVSTJZSA-N 481.601 2.426 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1749723760 BHVZEZQXLQLVDI-SFHVURJKSA-N 473.599 2.050 30 10 JEEE CC(C)NS(=O)(=O)CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@@H](C)CC#N 1751004738 IFMPCTDIMKPUJN-ROUUACIJSA-N 497.666 2.459 30 10 JEEE Cc1ccc2c(CCn3c([C@H]4CN(S(C)(=O)=O)CCO4)nnc3N(C)C[C@@H](C)C#N)c[nH]c2c1 1751590762 CSVALFHOEHDZRB-LAUBAEHRSA-N 485.614 2.239 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1ccccc1COC)[C@@H]1CCS(=O)(=O)C1 1760189301 UAYATXKGRPGESX-RTWAWAEBSA-N 458.584 2.341 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCN(C(=O)OC(C)(C)C)C2CC2)CC1 1760257333 UHTCHBZNYAZQKL-RUZDIDTESA-N 488.633 2.085 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCS(=O)(=O)c2ccccc2)CC1 1760263553 GKPRAQYCLJFHQQ-FGZHOGPDSA-N 485.654 2.426 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nc2c(s1)C[C@@H](C)CC2 1760495706 VAQXQZJBWBYOJU-WMZOPIPTSA-N 492.671 2.419 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CCN(CCOC)[C@@H](C)C1 1760550889 MVOKQPRTACDRCJ-KRWDZBQOSA-N 468.023 2.356 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@H]1CC[C@@H](F)C1 1761498313 DGQYPCNGDVGXEO-DZFGPLHGSA-N 489.621 2.220 30 10 JEEE O=C(C1=C(O)C(=O)N(CCCO)[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2)c1cccc([N+](=O)[O-])c1 1862743511 YWJCJTPGQNSUND-LJQANCHMSA-N 485.405 2.235 30 10 JEEE COC(=O)c1ccc(C(=O)OC)c(NC(=O)CNC(=O)C2CCN([C@H](C#N)c3cccs3)CC2)c1 1868146055 PJZDBXGMWKZRGO-LJQANCHMSA-N 498.561 2.353 30 10 JEEE CN1CCN(c2ccc(-n3nnc(C#N)c3NC(=O)c3ccc(Br)o3)cc2)CC1 1870159092 DYTWVRKINNXYHY-UHFFFAOYSA-N 456.304 2.499 30 10 JEEE C=CCn1cc(OCC(=O)Nc2ccc(OC)cc2OC)c(=O)cc1CN1CCN(CC)CC1 1870391149 AYIRSTCCJXNLBM-UHFFFAOYSA-N 470.570 2.207 30 10 JEEE O=c1c(Cl)c(N/N=C/c2cc(Br)ccc2O)cnn1[C@H]1CCS(=O)(=O)C1 1873528530 BCHATEMADSCINN-OUYADRIKSA-N 461.725 2.170 30 10 JEEE CCCN(CCC)C(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1ccc(C(=O)O)cc1 1874435152 PVMWSQNJPXQPAY-FSJBWODESA-N 460.560 2.235 30 10 JEEE COc1ccc(-c2ccc(=O)n(CCCC(=O)N3CCC[C@H](Oc4nccnc4C#N)C3)n2)cc1 1891613368 XWZIEUTYYOENKL-FQEVSTJZSA-N 474.521 2.431 30 10 JEEE N#CC1CC(O)(C[S@@](=O)C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)C1 1990659265 GPLMKDFBFUWUKH-ASOBOSFESA-N 468.531 2.392 30 10 JEEE C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@]1(O)C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 2068509532 CEXZYZIDAIXGPP-IPPNXFFKSA-N 451.564 2.312 30 10 JEEE CC(C)(C)OC(=O)N[C@H](Cc1cncs1)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2180983789 FOLQELYJQPFOHI-OAHLLOKOSA-N 475.380 2.307 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H]1NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2247962239 MAYVZMIOWVXJDY-GXTWGEPZSA-N 458.411 2.239 30 10 JEEE Cn1nc(C(=O)N[C@@H]2CC[C@@H]2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2255648492 CLYOKFQDJGSEIN-NEPJUHHUSA-N 454.764 2.158 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CC[S@@](=O)(=NC(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)C1 2255847647 RAXZYKLIMJUKHR-QJCAQRTLSA-N 454.354 2.484 30 10 JEEE CC(C)(C)OC(=O)NC1CC(O)(CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2255869600 DROIIDFECIDHPU-UHFFFAOYSA-N 452.382 2.195 30 10 JEEE Cc1c(B2OC(C)(C)C(C)(C)O2)csc1C(=O)N1CC(O)(CNC(=O)OC(C)(C)C)C1 2255872260 UTNAUHUDIRMERO-UHFFFAOYSA-N 452.382 2.067 30 10 JEEE Cc1sc(C(=O)NC[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2267112984 OEZSIUBKTQRZGU-QFIPXVFZSA-N 466.409 2.457 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]1CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2267363223 GBDQMHJOPGZDCV-CJNGLKHVSA-N 470.372 2.316 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]1CNS(=O)(=O)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2267709492 CSZYOKYVXUXGLE-AEFFLSMTSA-N 466.409 2.318 30 10 JEEE C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(F)c(F)c1B1OC(C)(C)C(C)(C)O1 2268644014 KIZSYJIXJNMPDC-BDJLRTHQSA-N 456.295 2.477 30 10 JEEE CC(C)(C)OC(=O)N[C@@](C)(CC(F)(F)F)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2268667399 YGYZNXMSOLSXRV-KRWDZBQOSA-N 480.318 2.434 30 10 JEEE CC(C)(C)OC(=O)NCc1nc(C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)co1 2268669779 PEBXVMNDNTXFIY-UHFFFAOYSA-N 464.353 2.385 30 10 JEEE C[C@H](c1nscc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)[C@H](CO)CNC(=O)OC(C)(C)C 2268717752 YWVPYJZKOJUECX-KGLIPLIRSA-N 469.413 2.095 30 10 JEEE Cc1c(C(=O)NC2CC3(C2)CN(C(=O)OC(C)(C)C)C3)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281807306 PDEYUZPEXZPZKL-UHFFFAOYSA-N 460.384 2.157 30 10 JEEE CC[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2CN1C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2281931246 SOKFKTUWFSJUPQ-BHYGNILZSA-N 460.384 2.426 30 10 JEEE Cc1nn(C)c(C(=O)N[C@@H]2C[C@@H](C)CN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2281987919 FPBYSRABYXEOFB-GDBMZVCRSA-N 462.400 2.403 30 10 JEEE CC(C)(C)OC(=O)N1[C@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)C[C@@H]2COC[C@H]21 2282009197 OUCKOTNJINSOMA-IJEWVQPXSA-N 479.408 2.197 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C12CC2 2282176533 ADMXDWKIRSWHJV-OAHLLOKOSA-N 458.368 2.295 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)[C@@](C)(CO)C1 2282185176 CULFWGGOKWCDMK-XMMPIXPASA-N 460.380 2.430 30 10 JEEE CO[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2282190634 RMSMYMUMOKMVRF-IRXDYDNUSA-N 461.368 2.135 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](CO)[C@H](NC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)CC1 2282523611 ALFQERUBBROSNA-HUUCEWRRSA-N 481.424 2.180 30 10 JEEE CCn1cc(C(=O)N[C@@H]2CCOC[C@H]2OCc2ccccc2)nc1B1OC(C)(C)C(C)(C)O1 2282537735 VMHIVGMMOCTPAF-UYAOXDASSA-N 455.364 2.306 30 10 JEEE Cc1c(C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282554566 GAUJJBHQMFUKSD-GOEBONIOSA-N 462.400 2.403 30 10 JEEE Cn1cc(C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C(F)(F)C2)nc1B1OC(C)(C)C(C)(C)O1 2282555637 WLTHXVBVLZHRMO-CQSZACIVSA-N 470.326 2.094 30 10 JEEE CC[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2CN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2282563993 NHMCVWDISTUHKY-YQQAZPJKSA-N 460.384 2.426 30 10 JEEE CC(C)[C@H]1[C@H](NC(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2282583429 JPJZZNQOBQKXNB-SJORKVTESA-N 462.400 2.483 30 10 JEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)n1 2282628467 NSYXRUCQCJYBQR-LDLYASANSA-N 451.380 2.040 30 10 JEEE CC1(C)OB(c2scnc2CS(=O)(=O)NC2[C@H]3C[C@H]2CN(Cc2ccccc2)C3)OC1(C)C 2282841375 UOEHZICGCUJFJC-ROUUACIJSA-N 489.472 2.382 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(O)cc2O)CCO1 2282914624 ZXCBVCUHPPZHTF-CYBMUJFWSA-N 464.324 2.068 30 10 JEEE O=C1C(=O)N(CCCN2CCOCC2)[C@@H](c2ccco2)C1=C(O)c1ccc2c(c1)OCCO2 2296560882 XBCARJGAUCOCBF-NRFANRHFSA-N 454.479 2.195 30 10 JEEE COc1ccc(Cl)cc1C(O)=C1C(=O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccccn1 2296615699 DTEGWDLEKAXVTF-FQEVSTJZSA-N 457.914 2.498 30 10 JEEE CCn1c(N2CCN(C)CC2)c(C=C2SC(=S)N(CCCOC)C2=O)c(C)c(C#N)c1=O 2314426294 VKKXZBDTTVDLOE-UHFFFAOYSA-N 475.640 2.038 30 10 JEEE COC(=O)c1ccc(CSc2nnc(CNC(C)=O)n2N=Cc2ccccc2C(=O)O)o1 2330752496 DJJFDXNRRBJEQP-UHFFFAOYSA-N 457.468 2.167 30 10 JEEE CC(C)(C)OC(=O)N1CCN(c2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)[C@H](C(=O)O)C1 2345712350 INSCIZXWWVJOFE-HNNXBMFYSA-N 451.304 2.030 30 10 JEEE CC(C)(C)OC(=O)N1CCN(c2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)C[C@H]1CCO 2345736936 UBRVDXRGLCCACB-OAHLLOKOSA-N 451.348 2.328 30 10 JEEE CCN(CC)S(=O)(=O)c1ccc(/C(O)=C2/C(=O)C(=O)N(CCOC)[C@@H]2c2ccc(O)cc2)cc1 102999630 PEUHHPWIPHHSGU-SADKCHQCSA-N 488.562 2.491 30 10 JEEE CCOC(=O)c1cc(C)nc(SCC(=O)c2c(O)on[n+]2-c2ccc(OC)cc2)c1C#N 106913769 XASLCDDJVFPEAR-UHFFFAOYSA-O 455.472 2.392 30 10 JEEE CC(C)OC(=O)[C@]1(C#N)[C@H](c2ccc(Cl)c(Cl)c2)[C@H](C(N)=O)N2C=C(C(N)=O)C=C[C@H]21 229769184 LKPPYVBORKCVFD-WCLQXYBISA-N 463.321 2.016 30 10 JEEE C=CCc1cc(C(=O)N2CCN(c3ccccc3S(=O)(=O)NC)CC2)cc(OC)c1OC 589967942 HHMLUPXKSBHUSX-UHFFFAOYSA-N 459.568 2.303 30 10 JEEE N#Cc1ccc(CSc2nnc(NC(=O)NCCCN3CCCS3(=O)=O)s2)cc1 608784948 JJPYMOHZYNHNKA-UHFFFAOYSA-N 452.587 2.249 30 10 JEEE C=C(C)C[C@H](NC(=O)C1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1)C(=O)OCC 1133157889 VCDMWZGJBOUCFT-FQEVSTJZSA-N 450.557 2.304 30 10 JEEE N#Cc1ccc(N2CCC(C(=O)N3CCC(Oc4ccnc(C(N)=O)c4)CC3)CC2)c(F)c1 1152752521 CXNQVPMOAMASRA-UHFFFAOYSA-N 451.502 2.478 30 10 JEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCc2c(C)nc3c(c(O)nn3C)c2C)cc1 1214687481 QDPRUUXUQBNSOR-UHFFFAOYSA-N 458.544 2.419 30 10 JEEE C#CCN(c1nnc(-c2ccccc2F)n1CC1(S(C)(=O)=O)CCCC1)[C@@H]1CCS(=O)(=O)C1 1286388169 YYKWETNVTYULND-QGZVFWFLSA-N 494.614 2.068 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCc1ccc(NC(C)=O)cc1)[C@H]1CCS(=O)(=O)C1 1286389445 KEBPRGKQFDXLMB-QFIPXVFZSA-N 492.605 2.476 30 10 JEEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](OC)c2ccc(Cl)cc2)CC1 1286483419 KEHCVZHILTWOEU-FQEVSTJZSA-N 456.978 2.197 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCCCc2ccccc2)CC1 1286485904 BXNKFOUNPWVWOT-UHFFFAOYSA-N 450.587 2.405 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2CCc2cccc(C)n2)CC1 1286486125 JDKYLWFPXQXGLG-UHFFFAOYSA-N 465.602 2.108 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@H]2CCCCN2CCC)CC1 1286491569 YCABAAHEBDMBEY-HSZRJFAPSA-N 463.630 2.494 30 10 JEEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(Cc2cc(C)no2)CC1 1286511566 MQKIYGJSVRDSTR-UHFFFAOYSA-N 485.639 2.255 30 10 JEEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 1286619865 DWXGXQFITKVYRT-CABCVRRESA-N 477.031 2.477 30 10 JEEE C=CCCOCCn1c(N2CC(C)(C)O[C@@]3(CCOC3)C2)nnc1[C@]1(OCC)CCOC1 1286714768 WDMVROOIZJSCDB-GOTSBHOMSA-N 450.580 2.297 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(-n3ccnc3C)nc2)C1 1286797849 COGOQFAZXCHJAC-IBGZPJMESA-N 450.547 2.135 30 10 JEEE CCc1nnc(N2CCN(c3ccccc3C#N)CC2)n1CC1CCN(CCN(C)C)CC1 1293104983 HWRQHEDQOYNVHB-UHFFFAOYSA-N 450.635 2.312 30 10 JEEE CCN(CCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCO[C@@H](C#N)C1)S(C)(=O)=O 1295805310 CHZSYKWLSOTJLH-SFHVURJKSA-N 483.598 2.202 30 10 JEEE CCOc1cc(C)nc(N2CCN(c3nnc(-c4ccc(C#N)cc4)n3CCC(=O)N(C)C)CC2)n1 1296708922 ADEDCBYVZQSUDE-UHFFFAOYSA-N 489.584 2.119 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](OC)[C@@H](C)CC)c1 1300334193 IIPFKUUUXRJKLI-FBBABVLZSA-N 487.626 2.298 30 10 JEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1C[C@]1(O)CCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1300502388 SMIDWXDNYCWUNJ-DZRGJMJISA-N 486.638 2.250 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOCC(F)(F)C(F)F)CC1 1300692699 LMFXTCODYPDDCO-UHFFFAOYSA-N 450.440 2.489 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2CCNC(=O)c2cccs2)CC1 1300709762 FCPKPHAIVRNVFY-UHFFFAOYSA-N 468.558 2.243 30 10 JEEE C#CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CCN2C(=O)OC[C@H]2C1 1300741157 ODPIUSMXOWMMOI-CQSZACIVSA-N 465.377 2.053 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1300895328 PRMFEONPRNRCSZ-MUJBESKKSA-N 470.636 2.241 30 10 JEEE C=C(C)COCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCN(CC)C(=O)C1 1300991157 PYASPHXGPWWGPY-IBGZPJMESA-N 492.621 2.238 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CCO[C@H](Cn2cccn2)C1 1301491591 LUMWWCQRHLLRFL-INIZCTEOSA-N 486.374 2.112 30 10 JEEE C#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3cc(Cl)ccc3OC)CC2)cc1 1309292905 NGANUOGFOHALQF-UHFFFAOYSA-N 454.957 2.025 30 10 JEEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(CCOC)[C@H](C)C1 1358928952 OUYOAQQAKQXLMW-HXUWFJFHSA-N 452.607 2.022 30 10 JEEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1CCCN1CC 1359024668 SGKYJQPBXJKCSY-OAQYLSRUSA-N 452.607 2.022 30 10 JEEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1359060301 QRFHZGNDRJNDQC-QFIPXVFZSA-N 470.691 2.111 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(S(C)(=O)=O)CC1 1359103419 OAFPSPBVFJXWBP-JXFKEZNVSA-N 493.655 2.264 30 10 JEEE C=C(C)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1359119005 PEPCVMYCGKCNQT-ZDUSSCGKSA-N 479.766 2.084 30 10 JEEE C=CC[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC(=O)N(C)C[C@H]1C)c1ccccc1 1359195417 MAUOOQSIGQOETF-MISYRCLQSA-N 457.600 2.207 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@@]3(CCO[C@@H]3C)C2)cc1 1359306850 SETHWSFHRFMAOE-KOSHJBKYSA-N 455.559 2.414 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CC[S@](=O)CC)C1 1359322512 XBSMVIKPYGUQSL-AYLZSAKASA-N 459.620 2.002 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1c1cccc(C)c1 1359326635 GMYKPOFLEWXTQU-PKOBYXMFSA-N 481.644 2.139 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCC=C(Br)C1 1359334054 RNZWTBTXMBIIEE-UHFFFAOYSA-N 452.378 2.354 30 10 JEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)c3ccccc3OCC)CC2)c1 1441626917 SENUWHLQQPNRAL-UHFFFAOYSA-N 454.548 2.481 30 10 JEEE C=CC[C@H](NS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)cc1)C(=O)OCC 1475186201 WMQLHWSGJNKVFU-MDZRGWNJSA-N 458.602 2.139 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H]1CCCCS1(=O)=O 1507636359 DOVXGXQAJIOCMS-HXUWFJFHSA-N 453.568 2.187 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1507720905 JTPYDVYJSJCEBN-ZHRRBRCNSA-N 490.402 2.011 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc4ccccc4o3)n2C[C@@](C)(O)CCOC)CC1 1507734421 MKCZXOKWHSNIRQ-VWLOTQADSA-N 465.554 2.445 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2CCNC(=O)c2cccs2)CC1 1507735544 YGLUFPGFCNGSNL-UHFFFAOYSA-N 492.605 2.411 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CC2(N(C)C)CCOCC2)CC1 1507742807 QLTSTFWIVSPHQQ-UHFFFAOYSA-N 482.604 2.085 30 10 JEEE C#CCSCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCCN(S(C)(=O)=O)CC1 1507751777 NXMGOPOZAKQONH-UHFFFAOYSA-N 486.623 2.438 30 10 JEEE C#CCSCCn1c(Cc2ccncc2)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 1507757235 WBUURNHDDRJPBD-KRWDZBQOSA-N 470.624 2.475 30 10 JEEE C=C(Br)Cn1c(CC(C)(C)C)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1507784118 GSXQSUWPPAIRRE-CYBMUJFWSA-N 451.373 2.307 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccn2)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1507801871 YMROZFHOCHVXGU-ZJOUEHCJSA-N 475.615 2.351 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CCOc2ccccc2)nnc1N1CCN(C(=O)NC)CC1 1507804289 FPABRLHUFDEGHE-SIKLNZKXSA-N 454.575 2.342 30 10 JEEE C=C(C)COCCn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1507847007 BHHRUFRUFZFYIB-JOCHJYFZSA-N 486.592 2.332 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(c2c(F)cccc2OC)CC1 1508080402 NSBCGLLQSOMYQL-UHFFFAOYSA-N 451.506 2.117 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1508084808 CNZKORFTGKPVLZ-FQEVSTJZSA-N 478.601 2.305 30 10 JEEE Cc1cccc(O[C@H](C)c2nnc(N(C)C[C@@H](C)C#N)n2C[C@]2(O)CCS(=O)(=O)C2)c1C 1510369509 BEQTYYCOOQDLLK-QXATTWAWSA-N 461.588 2.180 30 10 JEEE COCC1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(C(=O)OC)CC2)CCOCC1 1518792560 FERDFVYDKTYILX-UHFFFAOYSA-N 454.531 2.148 30 10 JEEE CCS(=O)(=O)N1CCC([C@@H](C)N(C)C(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)CC1 1527451896 AWYSKHVATNQWOR-VQIMIIECSA-N 450.580 2.432 30 10 JEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(O)(c2c(F)cccc2F)CC1 1539119931 PEIFDBCENZRRST-INIZCTEOSA-N 464.538 2.360 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1CCCOC)[C@@H]1CCS(=O)(=O)C1 1539206802 WDFNCBSDGPTYBX-DLBZAZTESA-N 450.536 2.220 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1NC(=O)CC1(C)C 1539384255 BHXKRMICYCNGQJ-IBGZPJMESA-N 452.534 2.208 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCOC2CCCCC2)CC1 1539428245 ODLIFCREEXGMIQ-UHFFFAOYSA-N 451.575 2.420 30 10 JEEE C=C(C)COCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1539735481 OJKJIDHCKMVBQN-IBGZPJMESA-N 458.588 2.175 30 10 JEEE C=C(C)COCCn1c(Cc2ccccc2OC)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1539752164 DUCZDKMCQVMWOO-HSZRJFAPSA-N 460.600 2.485 30 10 JEEE C=CC[C@@H](Cn1c(COCC)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1)c1ccccc1 1539946521 BNKHHQGEHGXOOU-NRFANRHFSA-N 468.602 2.348 30 10 JEEE C=CCCCn1c(-c2ccc(Br)cc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1539986202 VVAWVPQLWHCRBU-UHFFFAOYSA-N 486.378 2.009 30 10 JEEE C=CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1540854857 IQRQUJMYAYGBNB-UHFFFAOYSA-N 454.575 2.283 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H](C)CN2CCOCC2)C1 1540885571 LQLXSTDEWRMSRK-FPOVZHCZSA-N 489.642 2.098 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCC[C@H](C(=O)NCCC)C1 1540900840 JVPHEKMPCMQWSK-KRWDZBQOSA-N 463.579 2.428 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CC[C@](O)(c2ccccc2F)C1 1540902324 HFRKNSBHDTXDME-DENIHFKCSA-N 464.563 2.358 30 10 JEEE CC(C)(C)[S@@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1541233050 BTCLKGQRURMMJI-BPJXYHRLSA-N 467.599 2.466 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCCN1CCc2ccccc2C1 1541934675 CHONDMXFWCCRLY-YADARESESA-N 485.658 2.467 30 10 JEEE N#Cc1ccc(N2CCC3(CC2)C[C@H](C(N)=O)N(C(=O)c2cncnc2)C3)cc1C(F)(F)F 1548379543 DJDCFHFMVIVPBO-GOSISDBHSA-N 458.444 2.354 30 10 JEEE COC1CCN(C(C)(C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@@H](C(N)=O)C2)CC1 1555160027 GOHBVVMUSFZBOR-HXUWFJFHSA-N 495.628 2.320 30 10 JEEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC(C(=O)c4cc(F)ccc4F)CC3)CC2)o1 1559483352 IBAXFKLUKUJCGU-UHFFFAOYSA-N 457.481 2.376 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1588030292 SCGICSXAZZANMQ-PCCBWWKXSA-N 488.610 2.077 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@H]1CCSC1(C)C)[C@@H]1CCS(=O)(=O)C1 1588030403 ULRSJVXAOCPUJR-SJLPKXTDSA-N 481.688 2.355 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1c(CC)noc1C)[C@@H]1CCS(=O)(=O)C1 1588034776 LUDTWJZMAGQKHK-GOSISDBHSA-N 484.538 2.387 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@](C)(O)[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1588041067 UMDQSRPQVBPVDL-FHJLPGHOSA-N 460.600 2.378 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1CC[S@@](=O)CC)[C@H]1CCS(=O)(=O)C1 1588041731 ZDIOCUIGBUVPCG-WNNBVUDTSA-N 472.995 2.133 30 10 JEEE C#CCN(c1nnc(CC)n1C[C@@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1588059357 MODJPHUNPYSJTA-RCCFBDPRSA-N 465.620 2.113 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H](C)N1CCN(CC)CC1 1588124371 KAIKADGHQKPJKE-QFIPXVFZSA-N 456.598 2.230 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccccc2F)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1588166521 IAUVYECGCDRJRE-CTNGQTDRSA-N 485.585 2.273 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCn1cncn1 1588473806 VKCMPXVJGITOSS-HSZRJFAPSA-N 453.522 2.389 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccc3)n2C[C@]2(C)COCCO2)n1 1588722776 FJWFHKWEBCIWMR-XMMPIXPASA-N 450.543 2.233 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)s3)n2CCOCCOC)CC1 1588769115 OYVXUUQVYSWKSF-UHFFFAOYSA-N 454.394 2.187 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC2(OC)CCCCC2)CC1 1588891159 LZTZDGSKUPJJRE-VWLOTQADSA-N 473.618 2.245 30 10 JEEE C=C(C)Cn1c(COc2ccccc2F)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1593678126 YYECCVKXADMLGO-UHFFFAOYSA-N 476.534 2.212 30 10 JEEE C=CCCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(OCC(N)=O)CC1 1594608166 HDVKZPDSUVXGCI-UHFFFAOYSA-N 451.531 2.421 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1CCN(C2CCOCC2)CC1 1595595531 XFNMBHSSLYJXEJ-UHFFFAOYSA-N 486.642 2.182 30 10 JEEE C#CCN(C(=O)Cn1cnc2c(c(Br)nn2C)c1=O)[C@H]1CCCc2ccccc21 1611223097 MRKOKTCDODKDEB-INIZCTEOSA-N 454.328 2.432 30 10 JEEE N#Cc1ccc(N2C[C@H](C(=O)N3CCC(C(=O)NCC(F)(F)F)CC3)CC2=O)cc1Cl 1625479567 ALQZNJIFHCNSHI-CQSZACIVSA-N 456.852 2.482 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H](NC(=O)CNS(=O)(=O)c1cccc(C#N)c1)C1CCCC1 1641508363 GHRNHQCEJPQAIG-GOSISDBHSA-N 450.561 2.036 30 10 JEEE Cc1c(C#N)c(NC(=O)CN2CCN(c3ncccc3C(N)=O)CC2)n(-c2ccccc2)c1C 1652732091 BVIUBEJHZARDSV-UHFFFAOYSA-N 457.538 2.220 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1689977770 CHWZAWMZRIJDHA-BBWFWOEESA-N 489.564 2.412 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1CCn2ccnc2C1 1690093718 HXEDADJRJDXUJV-IBGZPJMESA-N 481.988 2.407 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccccc2OC)n1C[C@@H](N1CCOCC1)C(F)(F)F 1690098299 CWTPQDOXFHQEKY-LJQANCHMSA-N 467.492 2.303 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Cl)n2CCc2n[nH]c(C)n2)CC1 1690140157 ODDYXWTWQKJYPV-UHFFFAOYSA-N 452.950 2.234 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](c2ccsc2)N(C)C)CC1 1690375912 XAMFGBRYRRPVMB-RBUKOAKNSA-N 480.660 2.132 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCN(C(C)=O)C[C@H]1C 1690715061 BTWSOKMISXACHF-GOSISDBHSA-N 482.610 2.460 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1690726506 CFVMVCUQRQRVKK-SFHVURJKSA-N 458.650 2.015 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1ccnc(OC(F)F)c1)[C@@H]1CCS(=O)(=O)C1 1705564253 MWCWPHYUQLOFPS-MRXNPFEDSA-N 474.493 2.012 30 10 JEEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1Cc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1705568300 KHENJUGYANYXBG-SFHVURJKSA-N 487.582 2.084 30 10 JEEE C#CCN(c1nnc(COc2ccccc2CC)n1Cc1cccnc1OC)[C@@H]1CCS(=O)(=O)C1 1705568694 SWKMBFAHGUJDBU-OAQYLSRUSA-N 495.605 2.498 30 10 JEEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H](N2CCCC2=O)C1 1705692284 FFYIZQHFWVKVKQ-UXLLHSPISA-N 454.369 2.112 30 10 JEEE C=CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@H]1CCCCS1(=O)=O 1705846561 KIUGGSWTSPWEIX-JOCHJYFZSA-N 472.659 2.232 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCCN(CCC)C(=O)C1 1705895806 SRBNQXBDXRRUHL-UHFFFAOYSA-N 462.558 2.086 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1705899139 JCQDOTAWAZYUFC-FXAWDEMLSA-N 458.994 2.448 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](C(C)(C)C)C1 1705904821 ZMFQQDRNYRNFGP-MSOLQXFVSA-N 492.621 2.140 30 10 JEEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1705907099 ZSGILDRCZFBXEZ-XMMPIXPASA-N 455.559 2.242 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2csc([C@@H](C)OC)n2)C1 1705925287 NIQAARXOZFERNL-BFYDXBDKSA-N 467.617 2.174 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)C(C)C)C1 1705925686 SOLRFTWUBWHUEL-QZTJIDSGSA-N 455.625 2.075 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](Cc2ccc(C#N)cc2)C1 1705928336 OYEUZVCFVXYMTM-QFIPXVFZSA-N 496.637 2.446 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](C(F)(F)F)C1 1705938500 AHSUVUCEEAZHOU-JYJNAYRXSA-N 466.526 2.382 30 10 JEEE CCOC1CC(O)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(CC(F)(F)F)CC2)C1 1710602256 FZYBYZVFFRSDCC-UHFFFAOYSA-N 464.492 2.431 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCc1ccccn1)[C@@H]1CCS(=O)(=O)C1 1722364365 ZERRUMHLHUBJON-GOSISDBHSA-N 456.959 2.258 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CC(=O)NC1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1722366905 SZLYVMSGEKCKLE-OAQYLSRUSA-N 487.601 2.084 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(C)ccc1OC(F)F 1722429727 VNNXDDOHXBBDFH-MRXNPFEDSA-N 468.526 2.224 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC(=O)NC(C)C)CC1 1722444039 DIUYSXFBHOSYHD-QGZVFWFLSA-N 470.549 2.048 30 10 JEEE C=C(Br)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1722488947 DOANKQXXSCRHPO-INIZCTEOSA-N 466.361 2.261 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1722496790 NDQQHBIVHYEORX-MJGOQNOKSA-N 481.022 2.446 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2nc(C)cc(OCC)n2)CC1 1722695790 QEHFXXSALUFMSA-UHFFFAOYSA-N 497.991 2.119 30 10 JEEE C=CCNC(=O)Cn1c(N2CCO[C@H](c3ccc(F)c(F)c3)C2)nnc1[C@]1(OC(C)C)CCOC1 1722704193 PZOZYJRGUKVWQE-RDPSFJRHSA-N 491.539 2.477 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCCN(CCC)C(=O)C1 1722724154 OPKLFDMFNHANFN-UHFFFAOYSA-N 497.625 2.385 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN(C(=O)c2cccc(Cl)c2)CC1 1722728520 QZANJPXWLNWRJD-UHFFFAOYSA-N 451.980 2.057 30 10 JEEE CC1=C(Br)CN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1724051097 ADARECHSOWURRC-HXUWFJFHSA-N 492.399 2.245 30 10 JEEE CCO[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2Cc2ccc(C[S@](C)=O)cc2)CCOC1 1728794104 FSBWUXQHTODVKO-FLGDYYPQSA-N 461.563 2.299 30 10 JEEE C#CCN(c1nnc(CC2CCCC2)n1CCCOC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1740624444 IUYPBLIAFKZOQN-HXUWFJFHSA-N 464.632 2.223 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1CCC(=O)N1CCCCCC1)[C@@H]1CCS(=O)(=O)C1 1740624495 JGMHMALSQDKFHA-HSZRJFAPSA-N 497.665 2.483 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1CC1(NC(=O)OC(C)(C)C)COC1 1740676672 KCCYXSIRXXUHHU-LJQANCHMSA-N 498.559 2.302 30 10 JEEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1CC1(N(C)C)Cc2ccccc2C1 1740687887 IHMCMSFMKRAAQB-UHFFFAOYSA-N 461.614 2.325 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@H]2CCCO2)CC1 1740708280 JXQZSBQZMLXWAQ-JOCHJYFZSA-N 451.571 2.217 30 10 JEEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)C1CCCCC1 1740716965 FWFOBELWRSTOFX-GOSISDBHSA-N 455.650 2.136 30 10 JEEE C#CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC(CCC(N)=O)CC1 1740720770 MFCZVNPFPIZJQN-UHFFFAOYSA-N 451.600 2.365 30 10 JEEE C#CCSCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1740721215 BIPQEIRBIYOSDQ-NRFANRHFSA-N 457.600 2.182 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCCN1CCCC 1740731689 FTOMVSOFGROABF-AWRGLXIESA-N 492.690 2.258 30 10 JEEE C=C(Br)Cn1c(Cc2ccccc2OC)nnc1N1CCN(CC(=O)NCC)CC1 1740745729 CGLOJIKKKZENQW-UHFFFAOYSA-N 477.407 2.044 30 10 JEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CC(=O)N(c3ccccc3)C2)CC1 1740818711 RJTMRMXRURWHNN-QZTJIDSGSA-N 458.588 2.098 30 10 JEEE C=CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1(O)CCCC1 1740938452 GNDUBZBKOUBDHF-UHFFFAOYSA-N 462.620 2.491 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1740988007 QTAMTWIVQXZEJP-MRXNPFEDSA-N 451.549 2.162 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCC(C(F)(F)F)CC1 1740989938 CHPJGJMIKCAYQI-UHFFFAOYSA-N 475.493 2.385 30 10 JEEE C=CCSCCn1c(-c2ccc[nH]2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1741000983 ZUFDSTOAZGBURC-FQEVSTJZSA-N 459.664 2.424 30 10 JEEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)CN2CCCC2)CC1 1741055148 FHXWYYNDWMVHCU-LJQANCHMSA-N 451.575 2.129 30 10 JEEE CC(C)(C)c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CCN1CCCS1(=O)=O 1741174907 DCXSGPHFCDDHRH-LJQANCHMSA-N 458.588 2.061 30 10 JEEE C#CCN(CC#CC)c1nnc(CCc2ccc(OC)cc2)n1C[C@@H]1CCCS(=O)(=O)C1 1748898669 NYPJNQCWCBYFEK-NRFANRHFSA-N 454.596 2.360 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC2(O)CC(OCC)C2)CC1 1748977342 GPHZMZXNZGUOJH-ZGYBWILLSA-N 457.550 2.242 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCc2ccc(O)cc2)CC1 1749016037 XIIFSUSMUMNHDH-UHFFFAOYSA-N 461.570 2.054 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(CCc2ccc(OC)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1749072117 GHOYNEUBRRYYRZ-HYBUGGRVSA-N 471.627 2.488 30 10 JEEE C=CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](NC(C)=O)C1)c1ccccc1 1749382460 MJUIWGLZZRXRTD-WMQCIHAUSA-N 474.631 2.353 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1CCCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1760190012 NTAVXIFPDHSTCS-IBGZPJMESA-N 458.613 2.152 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1ccc(F)c(COC)c1)[C@H]1CCS(=O)(=O)C1 1760190519 RPSOEVVZVGFKQI-NRFANRHFSA-N 483.569 2.224 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C(C)(F)F)cc1 1760232646 BTMIBSJBAOPAON-SFHVURJKSA-N 467.542 2.231 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(F)cc2Br)n1C[C@@]1(C)CN(C)C1=O 1760246421 YBFBKUQZLPZWGM-HXUWFJFHSA-N 464.339 2.411 30 10 JEEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1C[C@H](C)N(C)C(=O)OC(C)(C)C 1760250884 NWDCHKYVRRPNQC-IBGZPJMESA-N 459.595 2.481 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2C[C@@H](CCC)OC)CC1 1760269029 VYNJCMKKXDEQKD-GOSISDBHSA-N 477.569 2.375 30 10 JEEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1760275879 LVMTVJHUEWYHMV-HXUWFJFHSA-N 489.667 2.016 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCS(=O)(=O)N(C)C 1760294402 VUMXBFLUAFYTKP-FDDCHVKYSA-N 494.662 2.276 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccn2C)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1760318326 FOBSDIDHCKXJTB-GGPKGHCWSA-N 462.620 2.030 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(NC(C)=O)CC1 1760326060 TZFMIVSVEAJKGD-DYESRHJHSA-N 472.615 2.356 30 10 JEEE C=C(C)COCCn1c(N2CCN(C(=O)OCC)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1760361021 DOQCDLRYWYXLCR-JOCHJYFZSA-N 451.568 2.190 30 10 JEEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1760433557 IIXQIUMVTULQFO-NRFANRHFSA-N 485.614 2.473 30 10 JEEE C=CCN(Cc1cccs1)c1nnc(CN2CCCC2=O)n1C[C@H]1CCCS(=O)(=O)C1 1760487837 FNTXWVCSGIQTFA-QGZVFWFLSA-N 463.629 2.479 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1760520143 ZLFRIVKOAZWZDU-GOSISDBHSA-N 480.573 2.314 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(C)(C)c2ccc3c(c2)OCO3)C1 1760535003 JZBJFHNROWENAC-SJLPKXTDSA-N 491.614 2.376 30 10 JEEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC([C@H]2CC2(F)F)CC1 1760566674 ZTQUPBIBMDWQCP-SJORKVTESA-N 491.630 2.402 30 10 JEEE COC[C@H]1CCCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2cc(CO)nn2)C1 1769398942 GJPSCWXZHFSRSY-IBGZPJMESA-N 450.547 2.244 30 10 JEEE CCCCCCCCNC(=O)[C@H](CC(N)=O)NC(=O)c1cccn(Cc2ccccc2)c1=O 1861295929 BLWRFSQCLYBILD-NRFANRHFSA-N 454.571 2.347 30 10 JEEE CCOc1cc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2CCN2CCOCC2)ccc1O 1862564269 WHSWUNMKDZBWBQ-QFIPXVFZSA-N 467.522 2.284 30 10 JEEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCNC(C)=O)[C@@H]2c2cc3c(cc2[N+](=O)[O-])OCCO3)c1 1862708771 DNGAVIAUUIXAOT-OAQYLSRUSA-N 497.460 2.089 30 10 JEEE N#Cc1nnn(Cc2ccccc2Cl)c1NC(=O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1870112291 XQURGVIKNZSMDK-UHFFFAOYSA-N 479.840 2.384 30 10 JEEE CCCCCCCCn1cc(OCC(=O)NCc2ccco2)c(=O)cc1CN(CCO)CCO 1870537387 ZKVGMNABRKEBIX-UHFFFAOYSA-N 477.602 2.284 30 10 JEEE CCN1CCN(CC#CCOC2CCN(C(=O)c3nc(SC)ncc3Br)CC2)CC1 1889438907 NCVQWNIZVCCDOA-UHFFFAOYSA-N 496.475 2.223 30 10 JEEE Cn1c(=O)c2cc(C(=O)N3CC=C(c4cncc(C#N)c4)CC3)n(Cc3ccccc3)c2n(C)c1=O 1890798872 DCPZYLRGUJPZTK-UHFFFAOYSA-N 480.528 2.283 30 10 JEEE COc1ccccc1OCC#CCNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(NC(C)=O)cc1 1891656552 FRFIZBDICRKITN-QFIPXVFZSA-N 499.589 2.395 30 10 JEEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](NC(=O)OC(C)(C)C)CC[C@H]1C(=O)O 2068508734 DUZXMMMMINUSGZ-PMPSAXMXSA-N 453.536 2.262 30 10 JEEE CN1C[C@H](C(=O)N2CCC[C@H](B3OC(C)(C)C(C)(C)O3)C2)N(C(=O)OC(C)(C)C)CC1=O 2124531089 BIHXKMSYKRTTIL-JKSUJKDBSA-N 451.373 2.149 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](O)C[C@H]1C(=O)NCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2180960977 NYQYKPHJEJCNDW-MOPGFXCFSA-N 460.380 2.362 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)NCCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2180980986 ONTTUGYHKUVGFT-MOPGFXCFSA-N 460.380 2.015 30 10 JEEE C[C@@H](CNS(=O)(=O)c1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1)NC(=O)OC(C)(C)C 2255801090 XZPYFBYQTUNITE-ZDUSSCGKSA-N 458.361 2.316 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(C(=O)OCc2ccccc2)CC1 2255830658 JDCCWUSAMUPYLQ-UHFFFAOYSA-N 468.363 2.122 30 10 JEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N(C)C[C@H](O)CN(C)C(=O)OC(C)(C)C 2266993448 IBOAVRGJRVFZCC-HNNXBMFYSA-N 452.357 2.187 30 10 JEEE CC1(C)OB(c2cc(C(=O)N3C[C@@H]4OCCN(Cc5ccccc5)[C@H]4C3)ns2)OC1(C)C 2267145149 BMHPAZALIUAKOW-OALUTQOASA-N 455.389 2.168 30 10 JEEE Cn1nc(C(=O)N2C[C@H]3C[C@H]2CN3Cc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2267497228 AHYYGSFKOFCOKM-SJORKVTESA-N 456.783 2.472 30 10 JEEE Cc1nn(C)c(C(=O)N(C)CC2CN(C(=O)OCc3ccccc3)C2)c1B1OC(C)(C)C(C)(C)O1 2267513907 YNROFCRUGCVDHO-UHFFFAOYSA-N 482.390 2.368 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H]1CNS(=O)(=O)c1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2267709595 FADZUKIXRIZEFQ-AWEZNQCLSA-N 470.372 2.413 30 10 JEEE CC(C)(C)OC(=O)N1CC2(COC[C@H](CNc3cc(B4OC(C)(C)C(C)(C)O4)ccn3)O2)C1 2280770528 VKOTYNLTXGGFLJ-KRWDZBQOSA-N 461.368 2.198 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](O)CN(C(=O)c2ccc(F)c(B3OC(C)(C)C(C)(C)O3)c2)C1 2281778009 NPBPMYXDMOZGJF-JKSUJKDBSA-N 464.343 2.225 30 10 JEEE Cn1ncc(C(=O)N2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)c1B1OC(C)(C)C(C)(C)O1 2281824914 XTDFNNQWSOFRLH-CVEARBPZSA-N 460.384 2.048 30 10 JEEE C[C@H]1CN(C(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)C[C@@H](C)N(C(=O)OC(C)(C)C)C1 2281979338 CHZAVLRITPYXBT-JKSUJKDBSA-N 462.400 2.437 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@@](F)(CNC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)C1 2282014712 RXKKDQCDEWTJIY-OAQYLSRUSA-N 485.387 2.148 30 10 JEEE CCn1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC23CC3)nc1B1OC(C)(C)C(C)(C)O1 2282042515 CNEVYFSZIMUIRA-UHFFFAOYSA-N 460.384 2.428 30 10 JEEE C[C@@H]1CC[C@@H](NC(=O)C(F)(F)F)CN1S(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2282339312 UDSLXKOTKPUQDW-ZIAGYGMSSA-N 476.326 2.206 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1COCCN1C(=O)c1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2282402723 KDUQUXZOZKZZNE-INIZCTEOSA-N 464.343 2.491 30 10 JEEE Cc1nc(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)s1 2282522587 MQDVXKZDVGZMKR-SOUVJXGZSA-N 481.424 2.145 30 10 JEEE CC1(C)OB(c2cc(C(=O)N3CC[C@@](C)(NC(=O)C(F)(F)F)C3)n(C3CC3)c2)OC1(C)C 2282547109 OHBZYNWTPCHCTL-HXUWFJFHSA-N 455.286 2.405 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)n1 2282552235 IMQFXYFCLTWZLH-GJZGRUSLSA-N 460.384 2.095 30 10 JEEE CO[C@@](C)(CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)c(C)nn1C)COCc1ccccc1 2282584078 RBYLDNXPTIEWOE-DEOSSOPVSA-N 457.380 2.379 30 10 JEEE Cn1nc(C(=O)N2C[C@@H]3CN(Cc4ccccc4)C[C@@]3(C)C2)cc1B1OC(C)(C)C(C)(C)O1 2282606716 SCVYAGXISMCWBY-DFBJGRDBSA-N 450.392 2.313 30 10 JEEE COC1(CCNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cn2C)CN(C(=O)OCc2ccccc2)C1 2282683502 DZQMNZIVJRLHJT-UHFFFAOYSA-N 497.401 2.482 30 10 JEEE CC(C)(C)OC(=O)Nc1cncc(CNC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)c1 2282693758 CICVGQMEOZLDHC-UHFFFAOYSA-N 455.324 2.448 30 10 JEEE CC[C@]1(CNC(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CCCN1C(=O)OC(C)(C)C 2282699843 LRUSOLUHEIBZKH-JOCHJYFZSA-N 463.388 2.024 30 10 JEEE C[C@H](c1nscc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)[C@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C 2283954854 BKMCPWRDYOFEIN-IIAWOOMASA-N 481.424 2.332 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1CC(F)(F)CN1C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2296423322 OCMLVQNOQIATSY-ZDUSSCGKSA-N 468.310 2.150 30 10 JEEE COc1cccc(C=Nn2c(CNC(C)=O)nnc2SCC(=O)Nc2ccccc2)c1O 2330721908 QYHCIUQHURLKOI-UHFFFAOYSA-N 454.512 2.241 30 10 JEEE CCn1cc(C(=O)N[C@@H]2C[C@H]3C[C@@H]2N(C(=O)OC(C)(C)C)C3)nc1B1OC(C)(C)C(C)(C)O1 2359530031 TZJSXRJHWUELCP-UXLLHSPISA-N 460.384 2.330 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(C(=O)OC(C)(C)C)[C@@H]2CCC[C@H]21 2367687625 UQRYKHMLKDKQLP-IAGOWNOFSA-N 460.384 2.333 30 10 JEEE COc1ccc(CCN2C(=O)N[C@](C)(C3CCN(C(=O)C4=CC(=O)CC(C)(C)O4)CC3)C2=O)cc1 11814752 NWGSPHYTKKWMGM-AREMUKBSSA-N 483.565 2.439 30 10 JEEE CO/N=[N+](\[O-])CC(=O)N1CCCN(S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(N(C)C)cc1 103937038 UGRZOQHNONYYAN-LXAYZEPESA-N 461.544 2.198 30 10 JEEE C=CCN(CC(F)(F)F)C(=O)CCC(=O)N1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1 520167755 WYKFAGFDWQBKBX-UHFFFAOYSA-N 475.533 2.493 30 10 JEEE C=CCS[C@]1(C=O)N=N[C@](S)(C=O)c2[nH]c(-c3nc4c(S)nnc(S)c4[nH]3)nc21 575629980 HUDDTMARIUEEMU-GJZGRUSLSA-N 464.583 2.339 30 10 JEEE CCOc1ccc(NC(=O)NCc2ccc(C#N)cc2F)cc1S(=O)(=O)N1CCOCC1 609252477 SJJIORGPDBTOEW-UHFFFAOYSA-N 462.503 2.439 30 10 JEEE Cc1ccc(NS(=O)(=O)CCN2C(=O)c3ccccc3C2=O)cc1B1OC(C)(C)C(C)(C)O1 704370623 HOPWWLFBKSFVMV-UHFFFAOYSA-N 470.356 2.332 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)N3CCN(c4cc(C)nc(C(C)C)n4)CC3)cc2C1=O 918812193 GKDKSBYUIVRXNV-UHFFFAOYSA-N 491.548 2.196 30 10 JEEE C=CCNS(=O)(=O)c1cccc(C(=O)NCCCS(=O)(=O)c2ccc(Cl)cc2)c1 1141600021 LCZRHPFOANVAOC-UHFFFAOYSA-N 456.973 2.398 30 10 JEEE CCOC(=O)c1cc(S(=O)(=O)N2CCN(c3snc(C)c3C#N)CC2)c(F)cc1C 1212030460 FQAPOHAESCDWQF-UHFFFAOYSA-N 452.533 2.458 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1286463523 HNRKBPGXXKGDSW-VXKWHMMOSA-N 476.560 2.249 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Br)n2CCOCCCO)CC1 1286489507 VMUITYWSKOGFJF-UHFFFAOYSA-N 490.402 2.072 30 10 JEEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1286506561 JOVSDZCEJGIZNY-SFHVURJKSA-N 493.630 2.189 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CCOC)[C@H](C)C1 1286562615 LPBFMIJUPYMRGU-AANPDWTMSA-N 463.623 2.140 30 10 JEEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H](N1CCOCC1)C(F)(F)F 1286723004 XQDKJTAZDCRCDK-QGZVFWFLSA-N 477.491 2.077 30 10 JEEE C=CCn1c(N2CCCN(Cc3ccc(OC)cc3)C(=O)C2)nnc1[C@@]1(OCC)CCOC1 1286777871 NQBQMOIDRIMSMB-XMMPIXPASA-N 455.559 2.364 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2nccc(C(F)F)n2)C1 1286798740 NVQJZXQGOMJWMI-AWEZNQCLSA-N 456.457 2.483 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](C)c2nc(C)cs2)C1 1286800727 PTESPTDVHUYHIA-NUEKZKHPSA-N 454.622 2.238 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2Cc2cc(C)on2)C1 1286805654 TVGAIDNKKSVKOL-IBGZPJMESA-N 472.571 2.321 30 10 JEEE CCO[C@@]1(c2nnc(N3CCN(c4ccc(C#N)cn4)CC3)n2CCN(C)[C@@H](C)CC)CCOC1 1296648693 CJCXMPNPLGRDOQ-CPJSRVTESA-N 482.633 2.254 30 10 JEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1CN(C(=O)OC(C)(C)C)C1 1300438274 JVPVPCDDSWFQGA-UHFFFAOYSA-N 487.630 2.483 30 10 JEEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](c2ccsc2)N(CC)CC)CC1 1300705889 DOOQOYFPTUGJNI-NRFANRHFSA-N 469.659 2.300 30 10 JEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](c2ccc(F)cc2)N(C)C)CC1 1300706648 QOTOJQDGNFTFRG-QHCPKHFHSA-N 464.593 2.337 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@](C)(O)c2ccccc2Cl)CC1 1300726354 NVZRHPWWQNIARO-UUOWRZLLSA-N 471.989 2.309 30 10 JEEE C#CCSCCn1c(CCOc2ccccc2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1300767949 IDUZSWGXQBPXCA-IRLDBZIGSA-N 455.628 2.423 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C(=O)NC)CC1 1300869103 JFHBZFQYPOAIHN-LAUBAEHRSA-N 470.574 2.405 30 10 JEEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](OCCC)CC1 1301043872 FCSHMWRECQOHIC-IAGOWNOFSA-N 462.016 2.149 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1301151778 RDWROGYCBQIQCB-HZPDHXFCSA-N 450.565 2.052 30 10 JEEE C=CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1301451804 AMXDMELOOUVVTD-SJORKVTESA-N 473.578 2.051 30 10 JEEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@H](C)[C@H](OC)C2)cc1 1301518525 JGMAALSXRRDPEW-FUHIMQAGSA-N 463.604 2.363 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1301588854 KTDUDQWDSNDCJT-CVEARBPZSA-N 465.542 2.193 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1301588924 LYCJVJHGYYZBKK-IAGOWNOFSA-N 467.617 2.463 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1301593568 PTUHKIFTISYXRC-HSZRJFAPSA-N 475.615 2.037 30 10 JEEE CC(=O)N(C)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2ccc(C#N)o2)CC1 1301635874 XOPGTIZSAYTUBO-UHFFFAOYSA-N 482.566 2.309 30 10 JEEE CCCNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1313483752 GJEJCLPBFMVRPF-LJQANCHMSA-N 482.585 2.419 30 10 JEEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2nc(C)cc(OCC)n2)CC1 1358904233 ZRPQFHCXEXRWPF-UHFFFAOYSA-N 454.579 2.044 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN(C)Cc1ccccc1 1358994563 QCTMVJMBECSULA-JOCHJYFZSA-N 453.612 2.165 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(N2CCOCC2)cc1 1359056580 HSEDZRABUXJPHP-HXUWFJFHSA-N 489.667 2.020 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1359089309 GLMXWEOZGVHILQ-FSSWDIPSSA-N 473.666 2.002 30 10 JEEE C=C(C)Cn1c(-c2cccc(Br)c2)nnc1N1CCN(CC(=O)NCCOC)CC1 1359118263 YASKLIKDDNWBAN-UHFFFAOYSA-N 477.407 2.168 30 10 JEEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H]1c1nncn1C 1359128522 WRKAGTLMFXOGHI-IBGZPJMESA-N 471.587 2.411 30 10 JEEE C=C(C)COCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCCN(C(C)C)CC1 1359130027 VVQCRQGWJQSFLN-UHFFFAOYSA-N 451.579 2.434 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 1359132670 BVVXYZFAPCTPQD-SFHVURJKSA-N 493.605 2.247 30 10 JEEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2ccc(F)cn2)CC1 1359137052 CSCIZNLUJYVJGA-RXVVDRJESA-N 460.554 2.456 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1359294175 MXCQRZJICBXBCA-AEFFLSMTSA-N 471.558 2.278 30 10 JEEE C=CCSCCn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1359341365 UTTHWKKGHYWEGS-HXUWFJFHSA-N 455.632 2.311 30 10 JEEE C#CCNC(=O)C1CCN(C(=O)N[C@H](C)c2cc3c(cc2Br)OCCO3)CC1 1477516486 HIPLUFYSQCJPEV-CYBMUJFWSA-N 450.333 2.452 30 10 JEEE CCOCc1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCN1CCOC(C)(C)C1 1503104343 CKWISDUCAYINGG-UHFFFAOYSA-N 453.591 2.124 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1507518419 LPVSRRRBAWKJNX-XLNZFTOWSA-N 454.575 2.057 30 10 JEEE C#CCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1507570800 JRTJOQNILHNMFS-JOCHJYFZSA-N 475.553 2.299 30 10 JEEE C#CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1507591482 LLQBYSRGXNRJCB-SFHVURJKSA-N 499.616 2.327 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CC[C@](C)(CC)O1)[C@@H]1CCS(=O)(=O)C1 1507624616 CLGAWJPLZUXPPL-SHBJFUFKSA-N 494.658 2.293 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1c(F)cccc1SC)[C@H]1CCS(=O)(=O)C1 1507634463 YTROSCJEOHUALW-HOTGVXAUSA-N 464.588 2.318 30 10 JEEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1Cc1ccccc1C)[C@@H]1CCS(=O)(=O)C1 1507640986 XGPKPHQIKIPAKM-LJQANCHMSA-N 483.619 2.253 30 10 JEEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(I)cc1 1507679045 GAAVFJCNOOGKJV-ZDUSSCGKSA-N 487.367 2.001 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1507743680 IOWMSKPLDRBFHA-HSZRJFAPSA-N 454.600 2.476 30 10 JEEE C=C(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1507821693 GVMZEWPLBQIQJK-UHFFFAOYSA-N 459.639 2.297 30 10 JEEE C=C(C)Cn1c(Cc2ccccc2C)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1507830869 JWKXAVIBOOWACA-UHFFFAOYSA-N 469.615 2.306 30 10 JEEE C=CC1CCN(c2nnc(Cn3nc(C)cc3C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1507909030 OQJVDQXMJZSFTK-QURGRASLSA-N 450.547 2.069 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1508114663 FFLQMEHDSFFONN-SJORKVTESA-N 466.995 2.199 30 10 JEEE C=CCOc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cn2)cc1OC 1520403596 NOVLVFIRWAPOLK-WEVVVXLNSA-N 459.524 2.328 30 10 JEEE C=CCCN(C)C(=O)Cn1c(=O)c2c(ncn2Cc2ccccc2)n(Cc2ccccc2)c1=O 1529201367 LPTVKXPUOGYXEG-UHFFFAOYSA-N 457.534 2.491 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCCNc1ccccn1)[C@@H]1CCS(=O)(=O)C1 1539212272 ONXKQRXYDDLMAT-GOSISDBHSA-N 454.556 2.370 30 10 JEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CCOC[C@H]1C 1539237985 PBVWLRUIEWBXAB-MJGOQNOKSA-N 454.600 2.292 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1CCC[C@H]1CCCN1C(=O)OC(C)(C)C 1539261097 XMKUSEPEQURSBR-MOPGFXCFSA-N 454.575 2.482 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@](C)(O)C(C)C)CC1 1539484325 LCZPEXBQENPWQK-SANMLTNESA-N 467.614 2.445 30 10 JEEE C#CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1539530907 PGGHOODTBIHUML-IRXDYDNUSA-N 483.660 2.340 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2OCC)nnc1N1CCS(=O)(=O)CC1 1539642974 SUXBMZFYJNRYSK-GCJKJVERSA-N 476.599 2.472 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccc(OCC)cc2C1 1539704663 GPZFZAWSNPRLTD-FQEVSTJZSA-N 461.588 2.149 30 10 JEEE C=C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC2([S@@](C)=O)CC2)CC1 1539835739 IIAJOMLOYMPJQO-SSEXGKCCSA-N 463.629 2.263 30 10 JEEE C=CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(S(C)(=O)=O)CC1)c1ccccc1 1539939602 JFVJZCMNEVIRHX-IEBWSBKVSA-N 495.671 2.262 30 10 JEEE C=CCOc1ccc(Cn2c(CC(C)C)nnc2N2CCN(C(=O)C(=O)NC3CC3)CC2)cc1 1540879108 STEPWUUZHAUCNM-UHFFFAOYSA-N 466.586 2.017 30 10 JEEE C[C@@H](N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCS(=O)(=O)C2)CC1)C(F)(F)F 1541897250 CRWFAZIKVULXRW-NVXWUHKLSA-N 482.532 2.324 30 10 JEEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCCCCC2=O)CC1 1555584353 DYVAMFHYTGPXRO-UHFFFAOYSA-N 465.602 2.378 30 10 JEEE C#C[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1)C1CCOCC1 1565106461 UDRQVJDBUDCRTG-KRWDZBQOSA-N 459.490 2.150 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCCCS(C)(=O)=O 1587638311 CVEABYJBEZOAKM-QZTJIDSGSA-N 483.635 2.259 30 10 JEEE C#CCN(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCNS(=O)(=O)Cc1ccon1 1587937687 RFQOWGHUSRUEPG-UHFFFAOYSA-N 456.572 2.420 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H](CC)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1588034543 IIBLBFLFJQIELK-TZIWHRDSSA-N 486.598 2.354 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1CCCN1CCCCCC1=O)[C@@H]1CCS(=O)(=O)C1 1588059968 XORVTZZNLBYJMO-LJQANCHMSA-N 463.648 2.286 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@](C)(O)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1588065440 YQFPKYQDSMFPLH-ZJSXRUAMSA-N 471.627 2.222 30 10 JEEE C#CCN(CC#C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCC[C@@H]1NC(=O)NC1=O 1588084301 POVAOERJUFMYHA-YJBOKZPZSA-N 454.918 2.133 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@](C)(O)c1ccco1 1588647499 WATXLMNTIDYESZ-UUOWRZLLSA-N 489.573 2.173 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc4ccccc4n3)n2CCCCCS(C)(=O)=O)CC1 1588790997 JWGORYCQFTZONV-UHFFFAOYSA-N 466.611 2.463 30 10 JEEE C=C(C)Cn1c(COc2ccccc2OC)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1593677642 GUSHWMPVTHVCSV-QHCPKHFHSA-N 454.531 2.256 30 10 JEEE C=CCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCN(CCOC)[C@@H](C)C1 1595387045 NQPIJALDSSMEOL-SFHVURJKSA-N 451.575 2.408 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1595477712 XXQRFVRMNKJIOU-UXHICEINSA-N 485.608 2.076 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(Cc2cc(C)ccc2OC)CC1 1595544153 FRWSITFINRVULJ-HXUWFJFHSA-N 468.602 2.114 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1595556533 XCBCNJPRTYELKB-IBGZPJMESA-N 466.565 2.435 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC(NC(C)=O)CC1 1595760243 LTBTVKOXFSNDMO-INIZCTEOSA-N 479.578 2.263 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@@]1(O)CCC[C@H]1C 1613588374 GTKGDURSUGODFK-UZEJHQAJSA-N 495.632 2.124 30 10 JEEE CCOc1cc(Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@@H](C#N)C2)ccc1OC(F)F 1616314421 ADQMVDDZHKYSNE-INIZCTEOSA-N 476.484 2.291 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(C(=O)CCn3cc(C#N)c(O)nc3=O)CC2)C1 1629207446 ATSNBVLELSWEML-KRWDZBQOSA-N 459.547 2.096 30 10 JEEE COCCN1CCN(C(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)CC1=O 1631996537 DLAZZAPATVJMDB-UHFFFAOYSA-N 452.536 2.220 30 10 JEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC[C@@H](O)c3ccccc3F)nnc12 1650850393 VQYLCBGPOPBKCT-GOSISDBHSA-N 453.499 2.311 30 10 JEEE C#CC[C@@H]1CCN(CC(=O)NCCN2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)C1 1655562603 KCBZRONIQKZDAF-MXDDHBLUSA-N 457.577 2.078 30 10 JEEE C=CCN1CCC(NS(=O)(=O)c2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc2)CC1 1661998268 ZRVCEMLNSYOEBG-QZTJIDSGSA-N 455.646 2.282 30 10 JEEE C=CCN(C(=O)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1)[C@H]1CCS(=O)(=O)C1 1666921659 WFJAXOVDJCXHQM-SFHVURJKSA-N 455.602 2.458 30 10 JEEE C#CCN(C(=O)NCc1cc(Br)ccc1OC(F)F)[C@H]1CCS(=O)(=O)C1 1668110941 BJOMVGBFSKPPPV-ZDUSSCGKSA-N 451.289 2.382 30 10 JEEE C[C@@H](NC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1)c1cccc(S(=O)(=O)N(C)C)c1 1678210361 CSMQNGOIADBJJK-WIYYLYMNSA-N 455.584 2.417 30 10 JEEE C#CCN(C)c1nnc(-c2ccc(F)cc2Br)n1CCN/C(O)=C1/N=CC=CC1=O 1689954005 IEAKSNSTLPLAPJ-ZPHPHTNESA-N 473.306 2.443 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H](c1ccco1)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1689990771 ROONESDSYWYECO-AABGKKOBSA-N 475.615 2.085 30 10 JEEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1690051020 JWIINIMGTBIWGI-FGZHOGPDSA-N 459.598 2.479 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC[C@H]1CCOC1 1690101040 MCIVIKXINXLWDC-SFHVURJKSA-N 450.543 2.188 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2cccc(C(=O)NCCC)c2)CC1 1690146268 JOYZRBHHMBQPCX-HSZRJFAPSA-N 492.624 2.326 30 10 JEEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1690179225 RFEBOGIWSWNVBI-UHFFFAOYSA-N 453.616 2.358 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C2CCN(c3ncccn3)CC2)n1CCNC(=O)C(C)C 1690205033 YTGFSJDXSYSKTQ-XMMPIXPASA-N 450.591 2.216 30 10 JEEE C=CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1C[C@@]1(O)CCO[C@H]1C 1690611091 ADVNKCZPSOIOTN-LIRRHRJNSA-N 454.369 2.225 30 10 JEEE C=CCOc1ccc(Cn2c(-c3cccn3C)nnc2N2CCN(C(=O)COC)CC2)cc1 1690678907 FAZNRCWBZHAJJX-UHFFFAOYSA-N 450.543 2.192 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccnc2OCC(F)(F)F)C1 1690697575 XZNUARAPEOXQHG-HOTGVXAUSA-N 466.464 2.395 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCCN1CCOCC1 1705494749 FGKWHKXHULNQCX-UXHICEINSA-N 476.622 2.157 30 10 JEEE C#CCCCCn1c(Cc2cccnc2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1705518127 GYJDGEPAXVXXJV-UHFFFAOYSA-N 485.639 2.343 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCCN1CCCCCC1=O)[C@@H]1CCS(=O)(=O)C1 1705565422 HKJKKPJRKQYMGB-HXUWFJFHSA-N 484.626 2.068 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CCO[C@@H]1CCCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1705569366 FXEPALPIEMTFGM-CEMLEFRQSA-N 471.627 2.486 30 10 JEEE C#CCN(c1nnc(CSc2ccc(C)cc2)n1Cc1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 1705571800 INSGLBKVJFKWMD-IBGZPJMESA-N 470.624 2.287 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@]1(C)CN(C2CC2)C1=O 1705582125 ULCWWGXSSWILQK-NIYFSFCBSA-N 480.613 2.476 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC(CC)(CC)OC)CC1 1705644532 UDQCFRSBWLPNIX-UHFFFAOYSA-N 467.574 2.096 30 10 JEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C)c(C)c2)CC1 1705653509 IZMUEHYKXINEHZ-LJQANCHMSA-N 476.672 2.198 30 10 JEEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(c2nccs2)CC1 1705829770 BVXUQQQVIPVQOT-GOSISDBHSA-N 496.659 2.044 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@](C)(CC)C1 1705936545 SSWUEFCEAUHBCP-HSZRJFAPSA-N 489.646 2.058 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC(C)(C)c1ccc2c(c1)OCCO2 1706870624 FUZSYFDWFDHXMQ-OYHNWAKOSA-N 492.577 2.079 30 10 JEEE CCO[C@]1(c2nnc(N(C)Cc3ccc(C#N)cc3)n2CCCN2CCOCC2)CCOC1 1710427313 BQVPPVGCFZHOCB-XMMPIXPASA-N 454.575 2.161 30 10 JEEE COC[C@@H]1CCCCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N2CCOCC2)C1 1712234783 FPSYUJYNNSJONF-HXUWFJFHSA-N 452.559 2.319 30 10 JEEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1722326146 OKJHMDNLDNMHMW-KRWDZBQOSA-N 488.390 2.226 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1ccc(OCC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1722363878 CIRUGBURESSSDV-OAQYLSRUSA-N 495.605 2.346 30 10 JEEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1c(C)noc1C 1722429528 SIVIJPDSXZAFJU-UHFFFAOYSA-N 450.547 2.191 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CC2(CCOCC)CCC2)CC1 1722441485 RIQBOROXFPQGBA-UHFFFAOYSA-N 470.618 2.077 30 10 JEEE C#CCSCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1722460089 VGRFPKUGEQLINO-ZWKOTPCHSA-N 476.647 2.426 30 10 JEEE C=C(Cl)Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1722543108 DNZINHMSRWTNBN-LBPRGKRZSA-N 450.893 2.454 30 10 JEEE C=C(Cl)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1722555537 CXIODNHEVNZYKK-UHFFFAOYSA-N 496.952 2.389 30 10 JEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(N3CCOC3=O)cc2)CC1 1722574597 NYBXTBYSDBMKFG-INIZCTEOSA-N 474.587 2.296 30 10 JEEE C=CCn1c(-c2cc(Br)cn2C)nnc1N1CCC(C(=O)NCCOC)CC1 1722682428 IPCUDVJMJWXRIJ-UHFFFAOYSA-N 451.369 2.211 30 10 JEEE C=CCOc1ccc(Cn2c(-c3cnccn3)nnc2N2CCC[C@@H](CNS(C)(=O)=O)C2)cc1 1722706161 PGWJZMSAZJLLLU-IBGZPJMESA-N 483.598 2.114 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(c2nc(C)cs2)CC1 1722726273 APONVDGVAULCLA-QGZVFWFLSA-N 466.633 2.212 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC(n2cc(Cl)cn2)CC1 1722726537 FWCQMFQETVMIPQ-INIZCTEOSA-N 469.011 2.464 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@]2(CCOC2)C1 1722729480 LWUIWMVCYRUACQ-OAQYLSRUSA-N 466.991 2.119 30 10 JEEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(OC(C)(C)C)CC1 1722739572 WXRSVIYCCSURNO-GOSISDBHSA-N 487.692 2.314 30 10 JEEE CCc1nc(CCn2c(-c3cccc(C#N)c3)nnc2N2CCCC[C@H](S(C)(=O)=O)C2)no1 1727457743 DDXPMQQGJKVWNC-SFHVURJKSA-N 469.571 2.408 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)SC 1730749693 FNVJOFSLOVDKOS-QFBILLFUSA-N 463.629 2.456 30 10 JEEE COCCn1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCN2C[C@H](C)O[C@H](C)C2)cn1 1730773460 AXYAUOHDTYQYTC-BGYRXZFFSA-N 478.601 2.253 30 10 JEEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1740583698 WPNGZECQLZYZGZ-UHFFFAOYSA-N 469.409 2.309 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CCN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1740625490 OBZHOFHQONGKJZ-SFHVURJKSA-N 477.581 2.260 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(N(CC)CC)cc2)CC1 1740700597 DHNLCQWGTSIVKZ-UHFFFAOYSA-N 479.629 2.277 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2C[C@@H](C)N(C)C)CC1 1740704905 VXIPVRHZHZBGOY-LJQANCHMSA-N 460.586 2.047 30 10 JEEE C#CCSCCn1c(-c2ccccc2OC)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1740714776 KIXFRDQOTSIUQN-UHFFFAOYSA-N 477.594 2.141 30 10 JEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 1740719148 ABACOMINQJDHLN-LJQANCHMSA-N 485.589 2.306 30 10 JEEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1740724203 ZITMJGMIAIEFTF-SPEDKVCISA-N 450.605 2.143 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cnn(-c3ccccc3)c2)n1CCS(=O)(=O)NC(C)C 1740728902 RHDJZFSFEVWPTF-HSZRJFAPSA-N 467.599 2.451 30 10 JEEE C=C(C)COCCn1c(N2CCC3(CCN(C)C3=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1740799816 XEGDBCLRJZIBIK-DEOSSOPVSA-N 461.607 2.360 30 10 JEEE C=CCCCCCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1CCS(=O)(=O)CC1 1740857313 KLNLFLTVLBVGKE-SFHVURJKSA-N 458.650 2.188 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCS[C@H](CC)C1 1740959771 DTPXFWIUMZEPRY-SJORKVTESA-N 480.635 2.221 30 10 JEEE C=CCOc1ccccc1Cn1c(-c2cnn(C)c2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1740968460 BOCDTPQMSWKIMH-UHFFFAOYSA-N 485.614 2.200 30 10 JEEE CC(C)C(=O)NC[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)O)C1 1741281210 GBTBJBOMDPHKAW-IBGZPJMESA-N 454.575 2.488 30 10 JEEE CCNC(=O)C(C)(C)Cn1c(-c2cnccn2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1746482673 DWPJURNUWQCSQP-FQEVSTJZSA-N 460.542 2.347 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(SC)cc1 1748670849 CWRQKLJSLJTHFS-APWZRJJASA-N 463.629 2.034 30 10 JEEE C#CCN(c1nnc(C(C)C)n1Cc1cc2c(cc1OC(F)F)OCO2)[C@H]1CCS(=O)(=O)C1 1748801787 GRXCJRVFYYAAAW-HNNXBMFYSA-N 482.509 2.407 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccc(C(=O)N(CC)CC)cc1)[C@@H]1CCS(=O)(=O)C1 1748824220 LLQBIHWRDKPGSF-FGZHOGPDSA-N 499.637 2.287 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)nc2)n1C[C@]1(N2CCOCC2)CCSC1 1748834145 FXJOESMWBVVBCR-JOCHJYFZSA-N 457.003 2.274 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H](C(C)C)N1CCOCC1 1748842202 GVDUFAYVDBTLAY-OAQYLSRUSA-N 459.554 2.024 30 10 JEEE C#CCN(CC)c1nnc(-c2cc(Br)cn2C)n1CCN/C(O)=C1/N=CC=CC1=O 1748912529 GIJZSXLZSCPYST-ZPHPHTNESA-N 472.347 2.032 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@](C)(OC)C1CC1 1748960844 OTBPSLRQRGYFSO-DEOSSOPVSA-N 450.543 2.093 30 10 JEEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CCN(C(=O)OC(C)(C)C)C2CC2)CC1 1748994349 YUQBHDBGYWGVJW-UHFFFAOYSA-N 465.602 2.419 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CCCN2CCCC[C@@H]2C)CC1 1749016625 HXQDHVOUEMCDJY-NRFANRHFSA-N 463.630 2.494 30 10 JEEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1749024479 RRERZSWHQBHEBK-YZZKKUAISA-N 490.651 2.488 30 10 JEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)NC2CCCCC2)CC1 1749043768 KHZVEQPPPUPIFX-UHFFFAOYSA-N 472.659 2.432 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cn(C)nc1-c1ccccc1 1749053271 FGGIAWMVLBYDKO-GAJHUEQPSA-N 467.599 2.329 30 10 JEEE C=C(Br)Cn1c(-c2ccccn2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1749098454 AAZKCWNPCDJRFY-OAHLLOKOSA-N 460.380 2.038 30 10 JEEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CCN(CCOCC)[C@@H](CC)C1 1749109182 FMYCTNFGDRZWHI-KRWDZBQOSA-N 469.428 2.246 30 10 JEEE C=CCN(CCc1ccco1)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(=O)N(C)C 1749591334 QNCMYUILPGYRHA-UHFFFAOYSA-N 464.574 2.368 30 10 JEEE COCC[C@](C)(O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1749608532 AQANLJUKKNYTIC-RDPSFJRHSA-N 450.543 2.182 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC[C@H](CNC(=O)c2ccccc2)C1 1749664590 SONHVIGZTVVHTR-LJQANCHMSA-N 459.554 2.289 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(C(=O)c2ccc(O)cc2)CC1 1749683544 XBDVHFFMYIRCAS-CVDCTZTESA-N 483.569 2.109 30 10 JEEE Cc1nn(C)c(N2CCN(c3nnc(CC(C)(C)C)n3CCCC(=O)NC3CC3)CC2)c1C#N 1751827311 AJSMWOXGQUIUOL-UHFFFAOYSA-N 467.622 2.166 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CC(C)(C)CN(C)C)[C@@H]1CCS(=O)(=O)C1 1760181143 QDKPUSCWRPKEMJ-MRXNPFEDSA-N 497.463 2.250 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1CCN1CCSCC1)[C@H]1CCS(=O)(=O)C1 1760184632 XOUZVTBQPUVTLQ-KRWDZBQOSA-N 498.049 2.413 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCCOC[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1760185125 QDTNJMRTBYWJTL-FGZHOGPDSA-N 483.594 2.029 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1CC(C)(C)N1CCC(OC)CC1)[C@H]1CCS(=O)(=O)C1 1760185772 DEADOLAETRAJQN-IBGZPJMESA-N 479.691 2.383 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1ccccc1OCC=C)[C@@H]1CCS(=O)(=O)C1 1760186660 FDWNVBKGHSXLCP-NHCUHLMSSA-N 470.595 2.412 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H]2NC(=O)CC2(C)C)CC1 1760270964 GTOLWLVEHCEPII-HXUWFJFHSA-N 499.015 2.391 30 10 JEEE C#CCSCCn1c(N2CCO[C@]3(CCOC3)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1760286227 FVEQXSSTMLKRSI-IEGUWTFLSA-N 477.631 2.411 30 10 JEEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](Cn2cccn2)C1 1760313116 JNBUZXSKWMUYBY-ULQDDVLXSA-N 467.368 2.013 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N(C)Cc1nccs1 1760516181 XDNPZFCQWFJNQR-UHFFFAOYSA-N 450.366 2.441 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)OC1CCCC1 1760522402 SHQZINYEYOEMSV-QGZVFWFLSA-N 464.567 2.199 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCOc2ccc(Cl)cn2)C1 1760544400 ZAVUXEKSVGCBKM-WBVHZDCISA-N 467.979 2.089 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@@](C)(O)c1ccsc1 1761466135 HSGTVMAKPLGDSD-YCRPNKLZSA-N 474.612 2.366 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 1772567271 XCDAYPOHJINDHN-KRWDZBQOSA-N 462.595 2.310 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCNC(C)=O)[C@@H]2c2ccc(O)c([N+](=O)[O-])c2)cc1 1862690005 FFYXDHMEBFAETB-LJQANCHMSA-N 455.423 2.023 30 10 JEEE C=CCOc1ccccc1[C@@H]1C(C(=O)N(C)CC(=O)OCC)=C(N)Oc2c1c(CC)nn2C 1865224606 HWALARSGRLRWJU-IBGZPJMESA-N 454.527 2.263 30 10 JEEE COc1ccc(Cn2cc(OCc3ccc(C#N)cc3)c(=O)cc2CN(CCO)CCO)cc1 1870350422 FNFOVICCAXFCCW-UHFFFAOYSA-N 463.534 2.142 30 10 JEEE C=CCn1cc(OCC(=O)N=c2nc3nc(C)cc(C)n3[nH]2)c(=O)cc1CNc1cccc(F)c1 1870853452 ZJWBQIHGZJEODA-UHFFFAOYSA-N 477.500 2.279 30 10 JEEE C=CCN=c1nc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)[nH]c(=Nc2cccc(N(C)C)c2)[nH]1 1871618409 AYPOVXNPEMCPFU-UHFFFAOYSA-N 488.596 2.174 30 10 JEEE CCCN(CCC)C(=O)COc1ccc(/C=N/n2c(CC)nnc2SCC(N)=O)cc1OC 1874524894 LZVZWTWARBXMIA-ZMOGYAJESA-N 476.603 2.336 30 10 JEEE CN([C@@H]1CCCN(C(=O)C2CCN(c3oc(-c4cccs4)nc3C#N)CC2)C1)S(C)(=O)=O 1892121895 VDEYZEWXETXBMP-MRXNPFEDSA-N 477.612 2.374 30 10 JEEE CC1(C)OB(c2n[nH]cc2C(=O)N2CCC[C@@H](NC(=O)OCc3ccccc3)C2)OC1(C)C 2253171353 BAGUDPGNGWDMRV-QGZVFWFLSA-N 454.336 2.240 30 10 JEEE C[C@@H](CNC(=O)OC(C)(C)C)N(C)C(=O)c1nn(C)c(Cl)c1B1OC(C)(C)C(C)(C)O1 2255650209 OGNWNSOOHOEBTL-LBPRGKRZSA-N 456.780 2.358 30 10 JEEE CN(C1CN(C(=O)OC(C)(C)C)C1)S(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2255753421 PUDFZQDWYDCBCP-UHFFFAOYSA-N 452.382 2.226 30 10 JEEE CC(C)(C)OC(=O)NO[C@@H](C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1)C1CC1 2256617182 HTOMGPHUSCVGAY-OAHLLOKOSA-N 453.370 2.293 30 10 JEEE CN(CC1(O)CN(C(=O)OC(C)(C)C)C1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2259118973 SYKFAEJJBFQROR-UHFFFAOYSA-N 452.382 2.101 30 10 JEEE CC1(C)OB(c2cccc(S(=O)(=O)N3CC4(CN(Cc5ccccc5)C4)C3)c2)OC1(C)C 2267377047 FEIZGNYGVWNXQF-UHFFFAOYSA-N 454.401 2.492 30 10 JEEE CN([C@@H]1CC[C@@H]1OCc1ccccc1)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2267377798 IEWRYXJXLNKPSW-MOPGFXCFSA-N 461.393 2.088 30 10 JEEE COc1ccc(S(=O)(=O)NC[C@@H](C)NC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2267465265 VFLBLVTXTIRPCG-CQSZACIVSA-N 470.397 2.186 30 10 JEEE CC(C)(C)OC(=O)NC1CC(NS(=O)(=O)c2ccc(F)cc2B2OC(C)(C)C(C)(C)O2)C1 2267466720 GDSHPMKKVPRIRQ-UHFFFAOYSA-N 470.372 2.459 30 10 JEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1nc(C)sc1B1OC(C)(C)C(C)(C)O1 2267478199 VCQVPLNHAZNQNA-UONOGXRCSA-N 467.397 2.115 30 10 JEEE CN(CC(C)(C)CNC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2267488956 VVCZFCJXRMBWQE-UHFFFAOYSA-N 450.389 2.342 30 10 JEEE CC1(C)OB(c2cnc(C(=O)N(Cc3ccccc3)CC3(O)CNC3)c(Cl)c2)OC1(C)C 2267537201 GVBQLJGEPLFAGU-UHFFFAOYSA-N 457.767 2.011 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCC[C@@H]2[C@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2268715839 LKZVWQNMTJGPSK-REWJHTLYSA-N 464.397 2.137 30 10 JEEE CN(CC(C)(C)N(C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)C(=O)OC(C)(C)C 2273281386 RIBLMEYHOWJRSB-UHFFFAOYSA-N 450.389 2.437 30 10 JEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](CNCc2occc2B2OC(C)(C)C(C)(C)O2)[C@H]1OC 2279461228 OHHLKJAOPSIDOJ-QXAKKESOSA-N 466.384 2.318 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](O)CN1C(=O)c1cc(F)ccc1B1OC(C)(C)C(C)(C)O1 2281769200 AZTLMRQPGAQUGH-CVEARBPZSA-N 464.343 2.225 30 10 JEEE C[C@@H]1CCCN(C(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)[C@@H]1CNC(=O)OC(C)(C)C 2281827243 SUZBGVYFJLEBPN-NVXWUHKLSA-N 462.400 2.485 30 10 JEEE Cn1nc(C(=O)N2C[C@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]3C2)cc1B1OC(C)(C)C(C)(C)O1 2281961520 NKKXLIGVNBRUEZ-HZPDHXFCSA-N 460.384 2.048 30 10 JEEE Cc1c(C(=O)N2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281990934 UBUWVTNMTFIDJQ-MRXNPFEDSA-N 462.400 2.357 30 10 JEEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@@H](NC(=O)c1ncc(B3OC(C)(C)C(C)(C)O3)cn1)C2 2282066325 IHRLYTYKLOOJPX-OSYLJGHBSA-N 458.368 2.436 30 10 JEEE CC1(C)OB(c2cncc(S(=O)(=O)N3C[C@H]4CN(Cc5ccccc5)C[C@@H]4C3)c2)OC1(C)C 2282349814 DFQAEHNHPKYXCN-WOJBJXKFSA-N 469.416 2.133 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@@](F)(CNS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282354152 NCFHLJDMQWNUEK-WEHONNDLSA-N 485.387 2.055 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1COC[C@@H]1NC(=O)c1cc(F)ccc1B1OC(C)(C)C(C)(C)O1 2282406899 QFAGVGSBYOQUJY-KSSFIOAISA-N 464.343 2.394 30 10 JEEE CN(Cc1ccccc1)C1(CNS(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CCC1 2282418105 GLTVJDFMZFFSFF-UHFFFAOYSA-N 474.436 2.052 30 10 JEEE Cc1c(C(=O)N2C[C@H](C)N(C(=O)OC(C)(C)C)C[C@H]2C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282554506 FKJLSZDJKUVWPM-CABCVRRESA-N 462.400 2.498 30 10 JEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1nccc(C)c1B1OC(C)(C)C(C)(C)O1 2282570377 GGYRBNNRPCRQOD-JKSUJKDBSA-N 461.368 2.053 30 10 JEEE Cc1cc(C(=O)N2CC[C@H](CO)[C@H](NC(=O)OC(C)(C)C)C2)oc1B1OC(C)(C)C(C)(C)O1 2282578923 XXKLABQZJYNXTM-HZPDHXFCSA-N 464.368 2.235 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(C(=O)OC(C)(C)C)C(C)(C)C1 2282581525 JDCZNIZMEKKGKD-UHFFFAOYSA-N 462.400 2.499 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1COC[C@@H]1NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282606770 GFIIEGDFDJCQCG-CJNGLKHVSA-N 481.786 2.304 30 10 JEEE CC(C)C[C@@](C)(CNC(=O)OC(C)(C)C)NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282700167 ODJSTLGTLMZMJM-QFIPXVFZSA-N 465.404 2.174 30 10 JEEE CC(C)(C)OC(=O)N1CCCC2(C1)CN(C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)C2 2283057756 WHLVSGGYVFBVQH-UHFFFAOYSA-N 458.368 2.249 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1C(F)F 2283058440 DYLRWVBXWDPXSG-QWHCGFSZSA-N 468.310 2.006 30 10 JEEE COC(=O)[C@H](CC(=O)NCc1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1)NC(=O)OC(C)(C)C 2283915301 BUHXVUJMJJTFRO-HNNXBMFYSA-N 482.408 2.428 30 10 JEEE CC(C)(C)OC(=O)Nc1[nH]nnc1C(=O)NCCc1ccccc1B1OC(C)(C)C(C)(C)O1 2283933911 UNQHCWYDSXQGRQ-UHFFFAOYSA-N 457.340 2.423 30 10 JEEE CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2c(B3OC(C)(C)C(C)(C)O3)cccc21 2283951762 YSWSPFOYTPKFGG-SFHVURJKSA-N 459.396 2.330 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CCc2cc(B3OC(C)(C)C(C)(C)O3)ccc21 2283956107 PGTOTPFBSBBFNL-MJGOQNOKSA-N 458.364 2.245 30 10 JEEE CCN(C(=O)OC(C)(C)C)[C@@H]1COC[C@H]1C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2283961984 GOTSNBDBNABQQZ-HUUCEWRRSA-N 481.424 2.331 30 10 JEEE CC(C)(C)OC(=O)NCC1(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)CC(O)C1 2284066826 ZQRVAIJVPOJBNY-UHFFFAOYSA-N 465.331 2.124 30 10 JEEE CC(C)(C)OC(=O)N1CC(N2CCC[C@H]2C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C1 2287377291 UMOKWFNIJUBSQW-HNNXBMFYSA-N 478.424 2.465 30 10 JEEE COC[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)N(C(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2289504858 BNOQKYVHMPYHFF-GJZGRUSLSA-N 481.424 2.444 30 10 JEEE COC(=O)c1ccc([C@H]2C(=C(O)c3c(C)nc4ccccn34)C(=O)C(=O)N2CCN(C)C)cc1 2296079543 NZHQEDISHLGBSU-NRFANRHFSA-N 462.506 2.413 30 10 JEEE COc1cccc([C@@H]2C(=C(O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN(C)C)c1OC 2296139194 ZIHVLBXTEVEXGF-OAQYLSRUSA-N 468.506 2.458 30 10 JEEE Cn1ccc(C(=O)N2C[C@@H](C3CCN(c4ccc(C#N)c(C(F)(F)F)c4)CC3)[C@@H](C(N)=O)C2)n1 2297650537 OYKMULBCOQCPQH-ROUUACIJSA-N 474.487 2.401 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CC[C@H]2NC(=O)OCc2ccccc2)n1C 2315516180 TYIWMRCCDJZGJK-QZTJIDSGSA-N 468.363 2.215 30 10 JEEE COc1cccc(C=Nn2c(SCC(N)=O)nnc2[C@H]2CC(=O)N(Cc3ccccc3)C2)c1 2325917932 BYYIFNJEIUMVEZ-SFHVURJKSA-N 464.551 2.262 30 10 JEEE COc1cccc(C=Nn2c(CNC(C)=O)nnc2SCC(=O)N[C@H](C)c2ccccc2)c1O 2330793165 FXPXDDUZPUVKPY-OAHLLOKOSA-N 482.566 2.480 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@H]1CN(C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)C2 2359281206 YBWVQKKUQAYAKA-BFYDXBDKSA-N 458.368 2.151 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1CCN(C(=O)OC(C)(C)C)C12CC2 2362344151 NXPKVNZDUHANKG-HNNXBMFYSA-N 460.384 2.239 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@H](C2CN(C(=O)OC(C)(C)C)C2)C1 2362354063 PAFUSELXODBYSX-HNNXBMFYSA-N 460.384 2.048 30 10 JEEE COCCN(c1ccc(B2OC(C)(C)C(C)(C)O2)c(OC)n1)C1CN(C(=O)OC(C)(C)C)C1 2365348192 NOTSVNPXJWFZCF-UHFFFAOYSA-N 463.384 2.462 30 10 JEEE Cc1cc(C)nc(N/C(=N/C(=S)NCCCN2CCOCC2)NCCc2ccccc2)n1 14157018 UZOHVIRGFRESGX-UHFFFAOYSA-N 455.632 2.290 30 10 JEEE COc1c(Br)cc(/C=N\n2c(S)nncc2=O)c(OC)c1Br 169883287 YTGIBMBAEFTMID-XRVIQIRUSA-N 450.112 2.351 30 10 JEEE COc1ccc(OC)c(N2C(=NC(=O)c3ccc4c(c3)OCO4)S[C@H]3CS(=O)(=O)C[C@H]32)c1 254307591 LNHTVJZVQZZTNM-BEFAXECRSA-N 476.532 2.348 30 10 JEEE C=CCNC(=O)CN1CCN(C(=O)c2cc(I)cc(C(F)(F)F)c2)CC1 609069860 ITTYFVQGWOXUCO-UHFFFAOYSA-N 481.256 2.370 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)cc1O[C@H]1CCOC1 1286297185 ATBRDEAUUOAJQE-IHPCNDPISA-N 458.584 2.163 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC(C)(C)c1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1286379726 BLIMSMXWIROYDY-LJQANCHMSA-N 475.590 2.160 30 10 JEEE C#CCN(c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1286381288 FXBHSQDXIPFCQG-WMZOPIPTSA-N 489.667 2.236 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1CCc1ccc(OC)cc1OC)[C@@H]1CCS(=O)(=O)C1 1286393903 LOQCJHZFDCISCU-LJQANCHMSA-N 460.600 2.363 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCCCO1 1286420318 CTNHPSHEIATLOY-FQEVSTJZSA-N 455.584 2.227 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H](c1ccc(C)o1)N1CCOCC1 1286433557 WQIBDLHZFGYCJI-FIXSFTCYSA-N 481.597 2.440 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1286564168 MIVLRUDATZZMDV-LAUBAEHRSA-N 494.687 2.475 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC)[C@H](C)C1 1286798110 BTMNLMXKWVHDDV-UYAOXDASSA-N 459.616 2.324 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C(F)(F)F)cc1 1300671471 JMBXBRBFJFXSKM-MRXNPFEDSA-N 456.490 2.333 30 10 JEEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2CCCCN2CCC[C@@H]2CO)CC1 1300701323 OQCVZMMMSRDDOR-HXUWFJFHSA-N 472.584 2.139 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2cccc(N(C)C)c2)CC1 1300717100 YOUGINDVMZKBQF-HHHXNRCGSA-N 494.640 2.399 30 10 JEEE C#CCSCCn1c(-c2cc(Br)cn2C)nnc1N(C)C[C@H](C)C(=O)NC 1300740887 GREJJUPBTOBVNA-ZDUSSCGKSA-N 453.410 2.231 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCn1ccnn1 1300805920 LIOBMIHYSPXOCK-FDDCHVKYSA-N 470.578 2.260 30 10 JEEE C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1300848789 ILHVYMOTNZGMRS-SCRDCRAPSA-N 498.394 2.247 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(CC(=O)NCC)CC1 1300868091 BWRONQTXYFJASI-NTKDMRAZSA-N 498.628 2.202 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(CCOCC)CC1 1300889275 BMHKTGYOWUGRQI-GGAORHGYSA-N 457.623 2.279 30 10 JEEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1300960758 KCOVDXAVMPGFEO-SJORKVTESA-N 460.604 2.213 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 1301506380 JWHYKROVEAIGPH-SFHVURJKSA-N 494.987 2.470 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](OC)C(C)(C)C1 1301529184 IBQIBCWJVMLKOD-VQIMIIECSA-N 463.604 2.363 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C)O[C@H](c2ccsc2)C1 1301568648 VVLGMGKNNGXYSS-AEFFLSMTSA-N 479.628 2.143 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1C[C@H](OC)C(C)(C)C1 1301593232 KLKKJDZUSDMKMJ-SFHVURJKSA-N 452.552 2.458 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(Cl)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1301593954 YWMBLELRUQQMFE-MOPGFXCFSA-N 494.017 2.359 30 10 JEEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1301595015 LXQNNNHWRLAHMG-MRXNPFEDSA-N 468.624 2.065 30 10 JEEE CCN(CC)CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1313715390 ARVTWYBWTFIHJD-HSZRJFAPSA-N 499.685 2.106 30 10 JEEE C#Cc1cccc(NC(=O)CNC(=O)c2cn([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nn2)c1 1354862338 OFPWDCXQOONWPA-GOSISDBHSA-N 452.515 2.200 30 10 JEEE C#CCN(c1nnc([C@@H](C)CC)n1CCc1cccc(C(=O)NC)c1)[C@H]1CCS(=O)(=O)C1 1358957545 VUOLTMIYLJYCCH-PXNSSMCTSA-N 457.600 2.021 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(Br)s2)n1CCNS(=O)(=O)CC 1358988472 QMEYWOHLZVIHJX-UHFFFAOYSA-N 470.418 2.171 30 10 JEEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1Cc1cc(F)ccc1N1CCOCC1 1359026735 JDTHUGOTVYJKGE-UHFFFAOYSA-N 481.576 2.250 30 10 JEEE C#CCN1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CCCCSC)CC1 1359030960 LIRARLKBWMPOMI-UHFFFAOYSA-N 475.688 2.445 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2nc(C(C)C)cs2)CC1 1359044032 SETZSOWWBHTHNJ-UHFFFAOYSA-N 452.588 2.273 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCCCO2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1359133572 VFSCNKOAWRSRMD-NRFANRHFSA-N 460.623 2.247 30 10 JEEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(OC)c(OC)c(OC)c1)C1CC1 1359251916 YUULSESVGFEEDU-MRXNPFEDSA-N 462.572 2.409 30 10 JEEE C=CCn1c(CC2CC2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)C2(CCS(=O)(=O)CC2)C1 1359288514 JELYZLFEQWNDQA-QGZVFWFLSA-N 465.620 2.325 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F 1359329960 APUMAQGDEWNMIR-UHFFFAOYSA-N 469.493 2.330 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1359331177 PMJNXQXSZWLZOK-UHFFFAOYSA-N 455.466 2.110 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](Oc2ccccc2Cl)C1 1359331711 GNOPOROMHQGIKW-WBVHZDCISA-N 479.990 2.141 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1359334647 MWWWVEDPPBCRMU-PMACEKPBSA-N 473.599 2.014 30 10 JEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2cnc(C)s2)CC1 1359343440 SXYIEHXWFTVDMO-QGZVFWFLSA-N 482.701 2.187 30 10 JEEE C#C[C@@H]1COCCN1C(=O)NC[C@@H]1CCCN1Cc1ccc(I)cc1 1478524881 CFBLXLZCBGZAHA-MSOLQXFVSA-N 453.324 2.299 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(OC)ccc2Br)n1CC1(C(N)=O)CCOCC1 1507644977 QSENJVRCGUWNSX-UHFFFAOYSA-N 486.370 2.071 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCO[C@@H]2CCCC[C@@H]2C)CC1 1507715675 GPEONPCOKDBGHG-VQTJNVASSA-N 451.575 2.276 30 10 JEEE C#CCSCCn1c(-c2cccc3cccnc23)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1507748731 TVQOCKRDMSXOBH-SFHVURJKSA-N 470.624 2.378 30 10 JEEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1507757562 ZZYZOHQZIQCKQX-NRFANRHFSA-N 451.600 2.349 30 10 JEEE C=C(Br)Cn1c(N2CCC[C@H](C(=O)NC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1507792669 JKGFFRLCVKSSLC-HNAYVOBHSA-N 456.385 2.190 30 10 JEEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 1507868674 NGIXKZGQTCXHTO-RDJZCZTQSA-N 458.028 2.310 30 10 JEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(N3CCOCC3)cc2)CC1 1507895643 BPPGCNJEAXAKLP-GOSISDBHSA-N 474.631 2.176 30 10 JEEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1507929408 RAPUSTXYOWMLCA-IBGZPJMESA-N 466.590 2.025 30 10 JEEE C=CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CC1(OCCOC)CCOCC1 1507984208 ZKYXETMPDVIOIG-UHFFFAOYSA-N 454.531 2.428 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(Cc2cc(C)no2)CC1 1508135074 XVUNGCUHCWNYQU-UHFFFAOYSA-N 481.582 2.036 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1508145124 XOWLABLMJGEEJD-UHFFFAOYSA-N 481.504 2.100 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1508149420 UPKMVPXXHVIFSM-IUKKYPGJSA-N 494.589 2.370 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1nc(C(C)(C)C)cs1 1508410776 GABQRTMHMJSXGL-ZIAGYGMSSA-N 453.638 2.481 30 10 JEEE CC(C)(C)S(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ncccn2)CC1 1508692564 FIMPKMCMERPNFW-UHFFFAOYSA-N 480.598 2.147 30 10 JEEE CC(C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@H](N1CCOCC1)C(F)(F)F 1508999455 BDZUPLLAJIBIIN-WMZOPIPTSA-N 493.538 2.041 30 10 JEEE COc1ccc(Br)c(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCC(=O)NC(C)C)c1 1518069864 AFJUGEDRJFPZJU-HNNXBMFYSA-N 477.363 2.360 30 10 JEEE N#Cc1cccc(-c2nnc(N3CCC(CCC(N)=O)CC3)n2C[C@@H]2CCCS(=O)(=O)C2)c1 1521074825 DDPMMEXQFHCFRH-IBGZPJMESA-N 470.599 2.123 30 10 JEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1539102019 QBJNVJLDEWDIOB-IBGZPJMESA-N 488.614 2.324 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1CCC1CC1)[C@@H]1CCS(=O)(=O)C1 1539205730 JVUGFJFTQDQFGU-MRXNPFEDSA-N 466.405 2.473 30 10 JEEE C#CCN(c1nnc(C2CC2)n1Cc1ccc(I)cc1)[C@H]1CCS(=O)(=O)C1 1539215642 HRXUQUJSXQUYLY-KRWDZBQOSA-N 496.374 2.435 30 10 JEEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1539513374 NFSZYHGYIMUBTL-UHFFFAOYSA-N 452.544 2.280 30 10 JEEE C=CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H](N1CCOCC1)C(F)(F)F)C1CC1 1540116665 ZNKXLSDPOMLDQL-JQHSSLGASA-N 459.513 2.420 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C[C@H]2CCOC2)CC1 1540863542 YDZPRXNJPVAWCP-FCHUYYIVSA-N 482.629 2.496 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2(C(N)=O)CCCC2)C1 1540885189 DDMMWANKMDQGOO-SFHVURJKSA-N 473.599 2.176 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2CCS(=O)(=O)N(C)C)C1 1540893784 JYVJALJBSRZONW-GOSISDBHSA-N 458.588 2.023 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCCCCCC1 1540900308 RAAQBAUYOPRVTD-UHFFFAOYSA-N 456.576 2.292 30 10 JEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N(C)Cc1cccc(Br)c1 1540907320 SGCQNZRQGBNSHA-UHFFFAOYSA-N 496.431 2.400 30 10 JEEE CC(C)N1CCC[C@@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@](C)(C#N)C2)C1 1541934692 CKUOUEYIMBWEPQ-WAOWUJCRSA-N 451.641 2.139 30 10 JEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](CC)[C@@H]2CN(Cc3ccccc3)CCO2)c1 1545373016 ULZJZZSEUVKTHS-GOTSBHOMSA-N 455.580 2.008 30 10 JEEE CC[C@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@@H](C)N1CCN(CC)CC1 1545545989 HZVPBCQSQQDWEF-PWRODBHTSA-N 480.665 2.194 30 10 JEEE COCCN(CCC#N)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@H]1CCCS(=O)(=O)C1 1555556613 FIECEWCLEDOEPV-IBGZPJMESA-N 483.598 2.322 30 10 JEEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1Cc1ccc(N2CCOCC2)nc1 1587926869 KHSJTQWWMWPQHN-UHFFFAOYSA-N 470.375 2.395 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1Cc1nccn1C(F)F)[C@H]1CCS(=O)(=O)C1 1588041441 XDORQGHCVXGTBQ-AWEZNQCLSA-N 481.916 2.260 30 10 JEEE C#CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H](CC)OC)[C@@H]1CCS(=O)(=O)C1 1588073958 GKLLPZBNEFVPIE-HCXYKTFWSA-N 495.646 2.101 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCc1noc(CC)n1 1588128013 ASWYAWATDNDUCU-UHFFFAOYSA-N 470.537 2.326 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ncccc1C 1588194705 ZFYYIWQJOJYJSO-UHFFFAOYSA-N 462.579 2.410 30 10 JEEE C#CCNS(=O)(=O)N1CCN(C(=O)c2oc3ccccc3c2COc2ccccc2)CC1 1588199589 UZHNBTNUEVTTOG-UHFFFAOYSA-N 453.520 2.237 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cnccc2OC)CC1 1588899751 VTMJKRVXRUCXNE-UHFFFAOYSA-N 455.522 2.234 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CCS(=O)(=O)CC1 1589545087 LIVMCWHSBPPALL-YWZLYKJASA-N 452.527 2.363 30 10 JEEE C=CCC(C)(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(C(=O)COC)CC1 1594483716 AHPYRUPAMGXVRB-UHFFFAOYSA-N 489.646 2.136 30 10 JEEE C=CCn1c(-c2nnc(O)c3ccccc23)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1595387130 SJYPHINAIXDNCM-CVEARBPZSA-N 451.531 2.147 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H]1c1nncn1C 1595475688 DTKGXUMCTVCYGO-DOTOQJQBSA-N 454.510 2.329 30 10 JEEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN([C@H](C)c2nc(C3CC3)no2)CC1 1595550339 CRVBSKYHNTVUIP-MRXNPFEDSA-N 456.595 2.313 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C(F)(F)F)C1 1595649209 MYRGMPPMAWLGLU-WMLDXEAASA-N 489.520 2.269 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1595811969 ITZVZSQQEHDRKM-JOCHJYFZSA-N 478.578 2.314 30 10 JEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCS(=O)(=O)[C@H]2CCC[C@H]21 1640748623 BQZUEMWYWOHFLE-ZBFHGGJFSA-N 457.346 2.276 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1CCCSCC)[C@H]1CCS(=O)(=O)C1 1689984337 NOZUMQLXNKMKAW-KRWDZBQOSA-N 462.597 2.444 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCCN1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1689989572 GYGUJIKKCKFNEQ-FGZHOGPDSA-N 477.675 2.311 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H](C)CNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1689989633 HLILLBHCLDNIKL-FHWLQOOXSA-N 495.646 2.307 30 10 JEEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1CC1([S@@](C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1689996060 DGRWLWKIFRNANL-AYLZSAKASA-N 490.651 2.012 30 10 JEEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1Cc1cc2c(cc1OC)C[C@H](C)O2 1690003398 MGKPLFLWRFRWTQ-BVZFJXPGSA-N 450.539 2.383 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@]1(C)CN(C2CC2)C1=O 1690004839 IBOFCQQNQQZVPL-RUZDIDTESA-N 463.538 2.055 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1ccccc1)C1CC1 1690046757 GRHUAZRMVRVWNE-GOTSBHOMSA-N 481.622 2.268 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC[S@](=O)CC)CC1 1690137909 LONMXKNGRQVFQW-MGBGTMOVSA-N 479.553 2.281 30 10 JEEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)Nc2ccc(C)cn2)CC1 1690345824 DLACGCWDZFOBSO-KRWDZBQOSA-N 479.006 2.491 30 10 JEEE C=C(Cl)Cn1c(N2CC[C@H](S(=O)(=O)NCC)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1690359200 VOJRXRIXGQURKL-XHSDSOJGSA-N 489.042 2.319 30 10 JEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C[C@@H]2CCOC2)C1 1690508889 RZYGFVVGLSBWBU-SLFFLAALSA-N 452.621 2.416 30 10 JEEE C=CCn1c(-c2ccccc2Br)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1690637924 XYJJBSKIUDAPIY-CYBMUJFWSA-N 457.336 2.426 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 1690655469 WIICZBOUVVUDRT-GOSISDBHSA-N 468.533 2.055 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 1690668310 ZUEDVWPLZPJJIV-SFHVURJKSA-N 455.563 2.478 30 10 JEEE C/C(=C/c1ccccc1)CN(C)c1nnc(C(=O)NC(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1690753114 ZXTZVIDPZMKGKB-ZIRQSBOJSA-N 477.569 2.482 30 10 JEEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(CC(C)(C)C)n1CCNC(=O)C(C)(C)C 1693744813 BAIJTCAZJOSSPI-QGZVFWFLSA-N 467.622 2.406 30 10 JEEE CCN1CCN(C[C@@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H](C(=O)OC)C2)CC1 1695896536 FNNUOVVHQNUAGG-NFBKMPQASA-N 479.629 2.480 30 10 JEEE COC[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1)OC 1697766485 AEYFKUGAYQLWNM-FCHUYYIVSA-N 465.558 2.251 30 10 JEEE C#CCCCn1c(N2CCC(NS(=O)(=O)CC)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705539256 NKDCODBJAMYFPP-IZAXUBKRSA-N 494.662 2.370 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCC(C)(C)C1CC1)[C@@H]1CCS(=O)(=O)C1 1705560292 JMFMTQBJNRUQIE-GOSISDBHSA-N 470.599 2.378 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC[C@H](C)N(C)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1705567352 XBVQTHLOXPLPAG-NZQKXSOJSA-N 495.653 2.216 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1CCC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1705568611 RHUJELFIMDMABA-FQEVSTJZSA-N 487.626 2.015 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCc1c[nH]nc1C 1705629136 YCPQQQTVDKPKPR-FQEVSTJZSA-N 487.605 2.337 30 10 JEEE C#CCN(CCOC)c1nnc(Cc2ccccc2OC)n1CC1CCN(C(=O)OC)CC1 1705629223 AJFYJGKLIHMNDH-UHFFFAOYSA-N 455.559 2.442 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CC[C@@](C)(O)c2ccccc2)CC1 1705632553 TXCUCHKNHSFDEN-RUZDIDTESA-N 452.603 2.250 30 10 JEEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@H](C(C)C)C1 1705655212 HQJWJBRYFHIFOK-FQEVSTJZSA-N 477.656 2.423 30 10 JEEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1705656858 LLTXVFNLYAYZOO-NQIIRXRSSA-N 471.627 2.486 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccccc2F)nnc1N1CCC(NS(C)(=O)=O)CC1 1705709131 LHZLNCIBDYSLPD-JTSKRJEESA-N 493.605 2.495 30 10 JEEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCS(=O)(=O)C1 1705844237 XYXFHXYETJUJBD-IAGOWNOFSA-N 469.608 2.034 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1705898739 WHRFOMWGFDVHSB-QGZVFWFLSA-N 467.530 2.340 30 10 JEEE C=CCOc1ccc(Cn2c(N3CCN(C)C(=O)C3)nnc2[C@@]2(OC(C)C)CCOC2)cc1 1705910439 BVMIAXOSMQVIFT-XMMPIXPASA-N 455.559 2.210 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](c2ccccc2)N(C)C)C1 1705925539 QJAZVNZDOFSOQL-NJYVYQBISA-N 459.616 2.264 30 10 JEEE CC(C)C(=O)NCCn1c(-c2ccc(Br)s2)nnc1N1CCO[C@H](C#N)C1 1706238002 CXDKDEZIQAQBCI-GFCCVEGCSA-N 453.366 2.270 30 10 JEEE CC(C)COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2ccnn2)CC1 1706521846 DQGSHCQOFDNJTK-UHFFFAOYSA-N 463.546 2.413 30 10 JEEE CC[C@H](C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1)OC 1708364724 DENNZOSKHVFHFE-RXVVDRJESA-N 453.591 2.088 30 10 JEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cc(F)cc(F)c1 1722318104 ZMFJBSIVYVSAPN-LJQANCHMSA-N 467.542 2.329 30 10 JEEE C#CCN(c1nnc(COCC)n1C[C@H]1CCCN1Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1722369535 AOPYSTREHYRPJL-YADHBBJMSA-N 471.627 2.106 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccc(Cl)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1722369691 DSDRWDGLFFAGBV-FUHWJXTLSA-N 464.975 2.467 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C3(c4ccccc4)CCC3)n2CC(=O)NCCC)CC1 1722443990 RUWBUDSGEBNGIF-UHFFFAOYSA-N 462.598 2.240 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2C)nnc1N1CCN(CC(=O)N(C)C)CC1 1722493941 AUAYWMYSQDMRBW-OFNKIYASSA-N 452.603 2.445 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H]1CC=CCC1 1722509922 RFJGWPVBKUACTK-WOZUAGRISA-N 479.647 2.385 30 10 JEEE C=C(C)COCCn1c(-c2cc(Br)cn2C)nnc1N1CCc2nn(C)c(=O)cc2C1 1722529583 WWZJHMDPTFFDJD-UHFFFAOYSA-N 488.390 2.295 30 10 JEEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](C(=O)OC)C1 1722531451 RWKUDTBVMLJTDL-SFHVURJKSA-N 462.572 2.331 30 10 JEEE C=C(Cn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1)c1ccccc1 1722539017 DHGKHUGXGFLNPQ-FQEVSTJZSA-N 491.600 2.442 30 10 JEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCC(C)CC2)CC1 1722629968 QTZOPDLZCWYMSK-NYLDSWQDSA-N 465.664 2.474 30 10 JEEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 1722686040 OXNHIYUTJUMTGY-GJZGRUSLSA-N 464.979 2.270 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1722693479 PKAGLXQGEOWQLE-QGZVFWFLSA-N 476.528 2.007 30 10 JEEE C=CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1722741034 YSPPHRDRLCXESZ-MSOLQXFVSA-N 455.650 2.443 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCc1nc2c(s1)CCCC2 1723932738 CCUBBDFSGTZMLX-VBKZILBWSA-N 481.623 2.298 30 10 JEEE C[C@@H]1CCCC[C@H]1OCCn1c(-c2cccc(C#N)c2)nnc1N(C)CCNS(C)(=O)=O 1726531756 HTNLKSUMDJBANN-YLJYHZDGSA-N 460.604 2.397 30 10 JEEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2ccccc2OC(F)F)C1 1731180867 FGSTXEMYQXPVMB-FOIQADDNSA-N 469.489 2.466 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1CCOCc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1740619929 AWPMHFQDFACTKT-FQEVSTJZSA-N 483.594 2.136 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1Cc1c(CC)nn(C)c1CC)[C@H]1CCS(=O)(=O)C1 1740620869 SLQXWPLPRJCVLQ-FQEVSTJZSA-N 491.621 2.350 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H](c1cccs1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1740621919 QFUKOMUHGQFCAA-AEFFLSMTSA-N 458.613 2.264 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@@H]1CCCCN1CC)[C@H]1CCS(=O)(=O)C1 1740625671 PBBNZHKFLSZYCN-VXKWHMMOSA-N 485.654 2.379 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H](C)CNC(=O)OC(C)(C)C 1740635371 NHASYJFYEYWRCB-GOSISDBHSA-N 475.557 2.154 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc(Cl)cc3F)n2CC(=O)N(C)C)n1 1740688211 RTZBBSFQFDQAPB-UHFFFAOYSA-N 473.940 2.309 30 10 JEEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1740942894 QUWCGVTVSSXRHQ-UHFFFAOYSA-N 498.975 2.105 30 10 JEEE CCN(CCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CCOC2)C1)S(C)(=O)=O 1746309004 CXILKLULYIHLHZ-QFIPXVFZSA-N 458.588 2.105 30 10 JEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCC(=O)Nc1ccccc1 1748784327 JSGWSMGYEJMHAG-UHFFFAOYSA-N 451.556 2.336 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1cccc(Br)n1)[C@H]1CCS(=O)(=O)C1 1748817144 FWLMZZXYZKYFTQ-RDJZCZTQSA-N 494.415 2.005 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1cc(F)ccc1F)[C@@H]1CCS(=O)(=O)C1 1748818775 GDJKEASBFXRQHQ-LJQANCHMSA-N 457.506 2.217 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CCc1ccccn1)[C@H]1CCS(=O)(=O)C1 1748824940 UNFOYLMTRUZAJK-FQEVSTJZSA-N 469.542 2.261 30 10 JEEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1CC1CN(C(=O)OC(C)(C)C)C1 1748868843 KIPACENMPDJKQX-DEOSSOPVSA-N 457.575 2.260 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[S@@](=O)C(C)(C)C)CC1 1748999068 HMRBSODTTYZLEI-JGCGQSQUSA-N 454.600 2.031 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(C)cc1OCCOC 1749054318 RQGJWSTWWIKQTR-WZONZLPQSA-N 475.615 2.262 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1749120482 DSKYCZZMTOGWIF-PHNROFDPSA-N 494.390 2.377 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)CCC(=O)NC 1749128104 RWJWCAAXQBONOQ-VGSWGCGISA-N 479.585 2.228 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCS(=O)(=O)C1 1749153344 TYWJEMRHWVNDAK-INIZCTEOSA-N 466.633 2.075 30 10 JEEE C=C(Cn1c(C(=O)NC(CC)CC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1)c1ccccc1 1749242525 KUSQBYYGVSPJFF-HXUWFJFHSA-N 479.585 2.383 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CCN(c2ncccn2)CC1 1749664685 WTRFKFWCSBFIQX-UHFFFAOYSA-N 483.374 2.126 30 10 JEEE CC(C)N(C)C(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCO[C@H]2C)CC1 1750873107 DLWDFHJNVIUSNP-BVZFJXPGSA-N 466.586 2.440 30 10 JEEE C#CCN(C)c1nnc(Cc2ccccn2)n1C[C@@H]1C[C@@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1760175108 WCPSIBONGIISCT-YZGWKJHDSA-N 452.559 2.358 30 10 JEEE C#CCN(c1nnc(COc2ccccc2CC)n1C[C@H]1CC=CCO1)[C@H]1CCS(=O)(=O)C1 1760192121 RBBOFZAJOQNQJW-LEWJYISDSA-N 470.595 2.391 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCN(C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1760192869 OUJSPSSXXDHIFY-FCHUYYIVSA-N 471.627 2.278 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2CCCSC2)CC1 1760265782 JFPCSRUKQPUEQO-CYFREDJKSA-N 475.659 2.428 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Cl)c3)n2CCC2(O)CCOCC2)CC1 1760266618 GKICTGRLFXOYIZ-UHFFFAOYSA-N 471.989 2.496 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(C)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1760323972 HMVODAYXUATHAU-SQJMNOBHSA-N 482.629 2.357 30 10 JEEE C=CCCOCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@@H](C(=O)OC)C1 1760449764 UKNNTOPXIHCLOJ-QGZVFWFLSA-N 466.542 2.267 30 10 JEEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1760506099 GUSRUANLEVHJQW-KRWDZBQOSA-N 474.009 2.084 30 10 JEEE C=CCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1760508766 KHGGDZBJZAQGKI-UHFFFAOYSA-N 470.393 2.374 30 10 JEEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@@H](C)[C@@H](C)C1 1760514885 IEYZMEHACGVFOK-CVEARBPZSA-N 459.620 2.331 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C)c(Br)c2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1760519306 ZIZOQHYHCFNWDW-CQSZACIVSA-N 484.420 2.188 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CCOCC2(CCC2)C1 1760556482 FIBGPDXOUJMGMA-UHFFFAOYSA-N 460.600 2.485 30 10 JEEE CCS(=O)(=O)NCCn1c(C(C)C)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1768290844 FCRSYFMKPYTCJU-UHFFFAOYSA-N 466.011 2.192 30 10 JEEE C=CC1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CC(=O)NC(C)C)CC1 1772554694 DIWCMFQSARJFKR-UHFFFAOYSA-N 459.620 2.474 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCNC(C)=O)[C@@H]2c2ccc(OC)c(OC)c2)cc1 1862695089 ACIHGGDPDPWMJU-OAQYLSRUSA-N 454.479 2.427 30 10 JEEE C[C@H](NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(=O)N(CCN)C(=O)OC(C)(C)C 1868784190 WCOSDLBSUKPUPN-DOTOQJQBSA-N 463.604 2.252 30 10 JEEE CN1CCN(c2ccc(-n3nnc(C#N)c3NC(=O)/C=C\c3ccc4c(c3)OCCO4)cc2)CC1 1870141263 INQUFBYALJEDHO-OQFOIZHKSA-N 471.521 2.314 30 10 JEEE CCc1cccc(C)c1N1C[C@H](C(=O)Nc2c(C#N)nnn2-c2ccc3c(c2)C(=O)N(C)C3=O)CC1=O 1870151564 ZMSPWFCELYAALR-MRXNPFEDSA-N 497.515 2.227 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)Nc2ccc(OC)cc2OC)cn1CCO 1870395581 YKIHDVFKKQWDCQ-UHFFFAOYSA-N 457.527 2.049 30 10 JEEE C=CCn1c(C(=O)N2CCN(Cc3ccccc3)CC2)cc2c(N3CCN(C(C)=O)CC3)ncnc21 1873560882 ANNYEYRPMSZDBY-UHFFFAOYSA-N 487.608 2.244 30 10 JEEE C=CCn1c(C(=O)N2CCC(CO)CC2)cc2c(N3CCN(c4ccccn4)CC3)ncnc21 1873562864 WPDMPQDLEUCPQV-UHFFFAOYSA-N 461.570 2.183 30 10 JEEE CCN1CCN(CC#CCOC2CCN(C(=O)C3CN(c4nc5ccccc5s4)C3)CC2)CC1 1889726632 YGKBUZXFYNLKJU-UHFFFAOYSA-N 481.666 2.381 30 10 JEEE CC(C)(C)OC(=O)N1CCC(NCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)(C(N)=O)CC1 1922599446 PJEILMOPCPWCGS-UHFFFAOYSA-N 459.396 2.330 30 10 JEEE CC1(C)[C@@H](O)CC[C@]2(C)C3=C([C@@H](O)C[C@@H]12)[C@]1(C)[C@H](O)C[C@H]([C@@](C)(O)C[C@@H]2OC2=O)[C@@]1(C)CC3=O 2069562953 QUDLVHSYSRPJNA-DNROFHOYSA-N 476.610 2.284 30 10 JEEE CC(C)(C)OC(=O)N1CC(O)(CC(=O)NCCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2180984602 KMJLWRHILQMUCL-UHFFFAOYSA-N 460.380 2.016 30 10 JEEE CC(C)(C)OC(=O)N=c1[nH][nH]cc1C(=O)NCCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2180992065 VVTMEKAPNNQCMK-UHFFFAOYSA-N 456.352 2.450 30 10 JEEE CC(C)(C)OC(=O)N1CC([C@@H](F)CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)C1 2255835570 OODDBUBDISDKJU-ZDUSSCGKSA-N 455.361 2.377 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2255951963 MYEPTYRSQIMVRC-OAHLLOKOSA-N 472.438 2.476 30 10 JEEE C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc(B2OC(C)(C)C(C)(C)O2)ccc1Cl 2256617681 LJRLXJFKDSLHII-SMDDNHRTSA-N 455.748 2.247 30 10 JEEE CC1(C)OB(c2ccc(S(=O)(=O)NC3[C@H]4CN(Cc5ccccc5)C[C@H]34)cc2)OC1(C)C 2267411682 CFHBRBCVGKLBRN-SFTDATJTSA-N 454.401 2.395 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N(Cc2ccccc2)C[C@@H]2CCCO2)n1 2267474435 UYRSSRBPCUGLIU-SFHVURJKSA-N 461.393 2.089 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](C2CC(NC(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)C2)C1 2281990202 JZHLQWJKZCXSBB-FHERZECASA-N 460.384 2.474 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C12CCC2 2282026083 WWIJJIYABPTPLL-HOTGVXAUSA-N 458.368 2.342 30 10 JEEE C[C@@H]1CN(C(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C[C@@]1(C)CNC(=O)OC(C)(C)C 2282035734 YYPPOAHJEALMAX-IQMFZBJNSA-N 462.400 2.342 30 10 JEEE Cc1nc(S(=O)(=O)N(CCC(C)(C)O)Cc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)n1C 2282407825 CTZZXYOJSLDXCX-UHFFFAOYSA-N 477.436 2.380 30 10 JEEE CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2282477197 LZBHOVXSXDPCML-MSOLQXFVSA-N 464.343 2.489 30 10 JEEE CCCC[C@@H](CNC(=O)OC(C)(C)C)NS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282491470 LPAJIVBECJGENE-HNNXBMFYSA-N 486.444 2.081 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H]3CC[C@]3(CNC(=O)OC(C)(C)C)C2)n1 2282533460 LNZVVJPSKINYLN-WNSKOXEYSA-N 460.384 2.096 30 10 JEEE 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)cnn1C 2282534827 XMHCBQHYPFUTLJ-NVXWUHKLSA-N 462.400 2.437 30 10 JEEE CCn1cc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2SC)nc1B1OC(C)(C)C(C)(C)O1 2282540821 OZQMQCPTRPPODU-GDBMZVCRSA-N 480.440 2.283 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(F)(F)F 2282588446 VKDUVJGBXRGFLF-CYBMUJFWSA-N 476.305 2.388 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2[C@H]3C[C@H]3CN2C(=O)OC(C)(C)C)n1 2282596597 CHMNWIUKADSWBB-YQQAZPJKSA-N 460.384 2.187 30 10 JEEE Cc1cc(S(=O)(=O)N2CCC[C@H](CNC(=O)C(F)(F)F)C2)sc1B1OC(C)(C)C(C)(C)O1 2282838385 NTNXUQZDKYNMAQ-CYBMUJFWSA-N 496.382 2.435 30 10 JEEE C[C@H]1C[C@H](NS(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CCN1Cc1ccccc1 2282853954 LMEPMFYDZHZRGJ-PKOBYXMFSA-N 474.436 2.051 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2283069256 OLIBXNBWKXWCRK-CVEARBPZSA-N 458.368 2.390 30 10 JEEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)C(=O)[C@@H](NC(=O)OC(C)(C)C)C1COC1 2283985155 FYNKTDHKSVGJPU-IBGZPJMESA-N 460.380 2.484 30 10 JEEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)C(=O)[C@H]1COC[C@H]1NC(=O)OC(C)(C)C 2284026914 GKNCYQRASBLNNA-RBUKOAKNSA-N 460.380 2.484 30 10 JEEE CN(C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)[C@H]1CN(C(=O)OC(C)(C)C)CC1(C)C 2289940132 QFTNSBOCRYAXEU-INIZCTEOSA-N 460.384 2.493 30 10 JEEE CO[C@H](CNC(=O)OC(C)(C)C)CNC(=O)c1nc(C)sc1B1OC(C)(C)C(C)(C)O1 2317603201 NKJSJSIBOPBHFD-ZDUSSCGKSA-N 455.386 2.020 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]21 2362461702 QHTFSGHTIJIIFU-VAMGGRTRSA-N 450.392 2.360 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)n1C 2362477451 BDJXHUMBSQPOQB-WNSKOXEYSA-N 460.384 2.015 30 10 JEEE CC(C)(C)OC(=O)N1C[C@](C(=O)O)(N2CCN(Cc3ccccc3)[C@H](C#N)C2)C[C@]12CCOC2 2373502841 CDSVTCQLRNTJGN-DCEDVJGZSA-N 470.570 2.320 30 10 JEEE COC(=O)c1[nH]c(C)c(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(C)o2)c1C 102541916 ZUWRZGHOROUGHD-HWCXCKHPSA-N 471.510 2.073 30 10 JEEE CCOC(=O)[C@H](CCc1ccccc1)N[C@H](C)C(=O)[N@@+]1(O)Cc2ccccc2C[C@H]1C(=O)O 575416837 FRVPQZOTSDXOCG-QVYLWBBZSA-O 455.531 2.471 30 10 JEEE C[C@@H]1Oc2ccc(C(=O)C[S@](=O)CC(=O)Nc3sc4c(c3C#N)CCC4)cc2NC1=O 586348494 MRCOHRKZRSGLGH-JTZKDVPQSA-N 457.533 2.398 30 10 JEEE CCCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccccc1CC 729669833 FQRIQAGVTDQLCE-UHFFFAOYSA-N 457.559 2.138 30 10 JEEE COc1ccc(C(=O)O[C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)cc1S(=O)(=O)N(C)C 820839174 HPHZPGLIEKFEHV-JXORXQGFSA-N 465.572 2.422 30 10 JEEE CCCC[C@H](NC(=O)[C@@H](C)NC(=O)C(C)(C)C)C(=O)N1CCN(c2ccccc2C#N)CC1 1136537272 BOJJHYSZPXPGEO-QUCCMNQESA-N 455.603 2.433 30 10 JEEE C=CCn1cc(CNC(=O)N2CCC(N3[C@H]4CC[C@H]3CN(C(=O)OC(C)(C)C)C4)CC2)nn1 1230271250 CJCIDUSKCVXFDW-PMACEKPBSA-N 459.595 2.222 30 10 JEEE CCOC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)c1ccc(C#N)cc1Cl 1259108025 FCZMWVKACHVOPZ-OAHLLOKOSA-N 457.936 2.385 30 10 JEEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1C[C@H](C1CC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1286392834 CLCODYJYOZBMBW-JTHBVZDNSA-N 485.654 2.441 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2cc(C)nc(N3CCCC3)c2)CC1 1286469918 OEKAEKALBSALPO-UHFFFAOYSA-N 478.645 2.304 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCc2noc(CC)n2)CC1 1286470101 SQNUAKWEZXHOQQ-UHFFFAOYSA-N 462.558 2.091 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2CC[C@@H]2CCOC2)CC1 1286492387 JSKNWMADMHNJKN-GOSISDBHSA-N 455.534 2.389 30 10 JEEE C=CCN(CCOC)c1nnc(-c2ccc(OC)c(Br)c2)n1CC(=O)N1CCOCC1 1286766947 AJRKKNMBHLPBTB-UHFFFAOYSA-N 494.390 2.214 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1ccc(Br)o1 1286780036 AIODBSVIMHTXGH-UHFFFAOYSA-N 474.319 2.220 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)N(CC)CC)CC1 1286788989 MFCPDNXAWIRWCH-UHFFFAOYSA-N 453.591 2.063 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1286793578 HMSYVKQHJKRYJP-TUNNFDKTSA-N 474.650 2.048 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(C)=O)CC1 1286798261 IUZKAJIVOBAYRV-UNMCSNQZSA-N 455.559 2.284 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 1286820799 RXIVVMRMFVKGGT-UXHICEINSA-N 462.620 2.428 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(=O)C(C)C)CC1 1286825496 RGMSVIMQJGRJGR-RTBURBONSA-N 481.663 2.102 30 10 JEEE Cc1ccc(C)c(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2CCCn2cc(CO)nn2)c1 1289501487 GKNLYBYRAZIKHA-JOCHJYFZSA-N 454.510 2.090 30 10 JEEE C[C@H]1COCCN1CCn1c(-c2cccc(Br)c2)nnc1N1CCO[C@@H](C#N)C1 1291306578 BRWVNGZGWWPUAX-YJBOKZPZSA-N 461.364 2.157 30 10 JEEE CC[C@@H](C)NC(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1291816129 CHHPDDLXCHTTSN-QZTJIDSGSA-N 469.565 2.424 30 10 JEEE CCN(c1nnc(-c2cccc(C#N)c2)n1CC1([S@@](C)=O)CCC1)[C@@H]1CCS(=O)(=O)C1 1295173573 DQXBXKGMXSZNKU-VPTFNQTCSA-N 461.613 2.131 30 10 JEEE CCOc1ccc(O[C@H](C)c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@]2(OC)CCOC2)cc1 1296810084 BOTXGZSMKHIKPY-MONBJTKQSA-N 457.531 2.351 30 10 JEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCNC(=O)c1cccc(OC)c1 1300466628 YSOKXJHNFZWMLA-HXUWFJFHSA-N 498.584 2.095 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1Cc1ccc(N2CCC(CO)CC2)cc1)[C@H]1CCS(=O)(=O)C1 1300496259 OXIVKHIJLIGIQY-DEOSSOPVSA-N 499.681 2.360 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1Cc1cccc2c1OCCCO2)[C@@H]1CCS(=O)(=O)C1 1300496860 VMZQEUOBJUIUPS-LJQANCHMSA-N 458.584 2.313 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CC[C@@]2(CCOC2)O1 1300578630 NQPNECNLYZTTAC-SWYRRKHMSA-N 499.612 2.388 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(OCCN2CCCC2)cc1 1300579713 WCPSAHIRRDKLAM-HSZRJFAPSA-N 460.582 2.215 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CCNC(=O)C(C)C)CC1 1300716527 NLENCKRKIIBYBV-UHFFFAOYSA-N 488.596 2.073 30 10 JEEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1300743736 YXLWXBOOSKRFPP-APWZRJJASA-N 457.556 2.263 30 10 JEEE C=C(Br)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(OCCOC)CC1 1300825023 ZYDXRXVKSWYNFA-UHFFFAOYSA-N 465.352 2.466 30 10 JEEE C=C(Cl)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1301018588 GYRCQOGWXLIOOK-FQEVSTJZSA-N 487.004 2.080 30 10 JEEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](c2ccnn2C)C1 1301187945 FNZZMRUOUHRKIF-UYAOXDASSA-N 477.635 2.085 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1301484149 BUXIEGDPEQLYNM-UONOGXRCSA-N 482.404 2.456 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 1301586893 VFXRHINNBYYLBL-PKOBYXMFSA-N 489.573 2.068 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1301588902 LKLHZZQDIOECGF-SFHVURJKSA-N 450.609 2.262 30 10 JEEE C=CCS(=O)(=O)CCn1c(CSc2ccc(C)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1301593661 SDJXDSKPTRRUTO-SFHVURJKSA-N 490.655 2.036 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC[C@H]1COCCO1 1358885824 RICRJCPYYWXEOJ-ROUUACIJSA-N 450.543 2.328 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CCSc1ccccc1)[C@H]1CCS(=O)(=O)C1 1358956101 AFYUJVATLWSLCS-CVDCTZTESA-N 490.651 2.349 30 10 JEEE C#CCN(c1nnc(CC)n1Cc1c(C)nn(-c2ccccc2)c1C)[C@H]1CCS(=O)(=O)C1 1358963732 NCUTYZWBJSGUHU-FQEVSTJZSA-N 452.584 2.318 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCN(C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1358967325 IFLZOPUULNAMHZ-LEWJYISDSA-N 457.600 2.283 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC(=O)NCCC 1358977310 JTMWLTLGHSORQO-LJQANCHMSA-N 456.591 2.382 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@H]2CCCSC2)CC1 1359036429 WMCZTCKCJNMHQY-PMACEKPBSA-N 490.674 2.485 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCOC2)nnc1N(C)CCNS(=O)(=O)c1ccc(C)cc1 1359099766 STCXWKQFULTPLL-SJBKTWHCSA-N 489.642 2.486 30 10 JEEE C=C(Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(NS(C)(=O)=O)CC1)c1ccccc1 1359139692 ATPLLGBWYGXTBR-UHFFFAOYSA-N 469.615 2.371 30 10 JEEE C=C(Cl)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1359144951 ZPKXBMIUKBPCGT-LJQANCHMSA-N 471.004 2.116 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C2CCCCC2)N(C)C)CC1 1359165489 QFEMIQQQWGAYPO-LEWJYISDSA-N 480.679 2.278 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCN(C)C(=O)[C@H]2C)cc1 1359306274 AMPSLZPMOUBUTI-QGZVFWFLSA-N 461.526 2.205 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(F)cc2Br)nnc1N1CCS(=O)CC1 1359329841 WQBXANQAAJHIKJ-UHFFFAOYSA-N 491.408 2.016 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCN(C(C)=O)C[C@@H]1C 1359334768 QJASTXOKQALVLE-KRWDZBQOSA-N 470.599 2.008 30 10 JEEE C#Cc1cccc(NC(=O)NC(=O)CN2C(=O)N[C@@](C)(c3ccc(OC(F)F)cc3)C2=O)c1 1458740197 NWGJWSGCIGROIR-QFIPXVFZSA-N 456.405 2.385 30 10 JEEE CC[C@H](C)N(C)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C#N)C1 1496114334 AWEDAKZAKQLZEP-LPHOPBHVSA-N 459.982 2.321 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1Cc1nc(C(C)C)cs1)[C@H]1CCS(=O)(=O)C1 1507623230 PZYUVDXHAJWINX-KRWDZBQOSA-N 492.671 2.451 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@H](C)c1nccs1)[C@@H]1CCS(=O)(=O)C1 1507640165 PYKZMPUKOXWNSI-MAUKXSAKSA-N 473.628 2.027 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1ccnc(OC(F)F)c1 1507644991 SSLWFBSYRIZOKB-UHFFFAOYSA-N 461.436 2.038 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1Cc1ccc(N2CCC(CO)CC2)cc1 1507665896 WHIZHSHBUUUKKE-UHFFFAOYSA-N 457.582 2.399 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@](C)(O)C(C)C 1507711553 WTPVNEWAHXCNCE-MBSDFSHPSA-N 465.595 2.080 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cnn(C)c1C 1508000774 ZSRRGCLBGFBWLA-HXUWFJFHSA-N 465.583 2.335 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(Cc2cscn2)CC1 1508088019 VMXNQOMIGRCHLQ-UHFFFAOYSA-N 455.563 2.089 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCN(CC(F)(F)F)CC1 1508144685 RUTPQOWLLZUBMZ-UHFFFAOYSA-N 463.551 2.216 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1CCCc1cnn(C)c1 1510171649 AMOXXDLMEGNRDQ-GOSISDBHSA-N 494.625 2.420 30 10 JEEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)Nc2cccc(C)c2C)CC1 1539085268 JVEJYKDZMAAJLF-UHFFFAOYSA-N 477.613 2.305 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@H]1CCSC1(C)C)[C@H]1CCS(=O)(=O)C1 1539224055 CIAITDNCTWVBTG-MJGOQNOKSA-N 459.641 2.422 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@](C)(OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1539229952 JQCUHGIWDBGNIM-CVDCTZTESA-N 476.574 2.438 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1539231552 VZKVVAHZQQOGFK-AZUAARDMSA-N 462.547 2.192 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCc2cccc(C(N)=O)c2)CC1 1539463203 XCMQJBXHVPNNIO-FGZHOGPDSA-N 464.614 2.294 30 10 JEEE C#CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CCN(C(=O)NCC)CC1 1539497620 NBWPSJXGFRSNBP-UHFFFAOYSA-N 480.436 2.264 30 10 JEEE C#CCSCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1539504548 JWTCPAXKXJYFIZ-KRWDZBQOSA-N 470.990 2.497 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1CC[C@H](N1CCOCC1)C(F)(F)F 1539533165 LOTIGJVACOKPKY-OXJNMPFZSA-N 456.513 2.062 30 10 JEEE C=C(C)COCCn1c(Cn2ccc3ccccc32)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1539758894 UMKUXPRBBLWQHP-IBGZPJMESA-N 472.615 2.344 30 10 JEEE C=CCC(C)(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1539918389 MCMHEROADOSJQN-VQIMIIECSA-N 480.569 2.155 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC(CN(C)C(=O)OC(C)(C)C)CC1 1540868664 NBAHNNHLZPCGGN-UHFFFAOYSA-N 472.594 2.064 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Br)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1540900023 IVRHYBJVWMPFTJ-WMLDXEAASA-N 494.415 2.023 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N(C)Cc1cc(F)c(F)c(F)c1 1540901553 HTVLAFQIGPHKGW-UHFFFAOYSA-N 452.462 2.390 30 10 JEEE CC(=O)N1CCN(CCn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@H](C(C)C)C2)CC1 1541007625 WNKGNMMODFYEHP-JOCHJYFZSA-N 465.602 2.375 30 10 JEEE COCCn1cc(Cn2c(-c3ccc(F)cc3Br)nnc2N2CCO[C@@H](C#N)C2)cn1 1555568757 CXCDTTLQYGJZKY-INIZCTEOSA-N 490.337 2.467 30 10 JEEE N#Cc1ccc(O[C@@H]2CCN(S(=O)(=O)c3cccc(C(=O)NCC(F)(F)F)c3)C2)nc1 1561611528 DTWOMSAYXOCFRH-OAHLLOKOSA-N 454.430 2.087 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2CC2CCN(C(=O)OC)CC2)c1 1587693612 USGUSYWYMJWDNK-FQEVSTJZSA-N 480.569 2.317 30 10 JEEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](N2CCCC2=O)C1 1587861029 GDMUSESZXKLVLV-MOPGFXCFSA-N 472.590 2.201 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1cc(C(C)(C)C)no1)[C@@H]1CCS(=O)(=O)C1 1588045767 QGWYEYXUWXVWFS-MRXNPFEDSA-N 454.556 2.301 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCSc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1588050332 RJVDEHQJWKFEFI-IBGZPJMESA-N 470.624 2.406 30 10 JEEE C#CCN(CC#CC)c1nnc(COc2ccccc2CC)n1C[C@H]1CCCN1S(C)(=O)=O 1588253917 JDPPDMDEFTUITN-OAQYLSRUSA-N 469.611 2.306 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCSC1 1588647312 UMFIMMLQAYKAER-QZTJIDSGSA-N 465.620 2.426 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCC(=O)N3)n2Cc2cscc2C)n1 1588722734 DQQJPONYLJRAFX-IBGZPJMESA-N 453.572 2.130 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC2(C)CC2)CC1 1588930226 QMSUIYWWYSIETC-IBGZPJMESA-N 486.617 2.352 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OC)n2CC2(N(C)C)CCC2)CC1 1588968288 HEYWGNTUYAUSHD-UHFFFAOYSA-N 480.613 2.316 30 10 JEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)CCC2CCCC2)CC1 1588974673 AANKRHJEFRXTRZ-UHFFFAOYSA-N 460.648 2.402 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(CC(=O)NCC)CC1 1589514533 HAHWPKLNVHJLSI-NZQKXSOJSA-N 468.602 2.193 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(=O)NCC(F)(F)F 1589608922 QRGBKQRWKPJGNX-UHFFFAOYSA-N 459.494 2.430 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2ccc(CC)cc2)C1 1593636125 HIVIKAQSTOZPND-LEWJYISDSA-N 475.615 2.327 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N1CCN(C)C(=O)C1 1595501502 WJVDTVFUPPQRPU-UHFFFAOYSA-N 454.531 2.393 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@@H](N2CCCC2)C1 1595506688 JOPCQIGZOYEHEJ-LJQANCHMSA-N 454.575 2.329 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)Cc1c(C)nn(C)c1C 1595516540 GKNKWWKKJULRLS-UHFFFAOYSA-N 451.531 2.005 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1595577128 JPKAKEYIIODNOQ-SFTDATJTSA-N 455.559 2.160 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCN(c2ncccc2F)CC1 1595811827 CDKLFBPZXQSFPU-UHFFFAOYSA-N 488.564 2.470 30 10 JEEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(C(=O)N[C@H](C)C(=O)OCC)cc2)cc1 1629013392 NUKMVFIJZFRZNH-OAHLLOKOSA-N 459.524 2.085 30 10 JEEE C=CCNS(=O)(=O)c1cccc(C(=O)Nc2ccccc2CN2CCN(C(C)=O)CC2)c1 1633153086 PYKBSDVYEQRICF-UHFFFAOYSA-N 456.568 2.067 30 10 JEEE C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Cl)c(OC)cc1Br 1653725990 PGHREZDIMMUZRK-SNVBAGLBSA-N 458.783 2.475 30 10 JEEE C#Cc1cccc(NC(=O)NC(=O)CSc2nc3cc(S(N)(=O)=O)ccc3n2CC)c1 1656111850 GRLDXFZNJMITRG-UHFFFAOYSA-N 457.537 2.125 30 10 JEEE COc1ccccc1-n1cc(S(=O)(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cn1 1661362031 GJBUWXHWFAGGRA-LJQANCHMSA-N 451.508 2.226 30 10 JEEE Cc1c(NC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cccc1S(=O)(=O)N(C)C 1670887533 IDNTZXYGYUIEON-GOEBONIOSA-N 451.549 2.126 30 10 JEEE COc1ccc(CS(C)(=O)=O)cc1NC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 1677435367 FRXYNGJSCOWCKD-SFHVURJKSA-N 456.524 2.429 30 10 JEEE C#CCOc1ccccc1CNC(=O)NCc1cccc(NC(=O)CCN2CCOCC2)c1 1682695799 OJXUYCZKIWRWTF-UHFFFAOYSA-N 450.539 2.359 30 10 JEEE C#CCN(c1nnc(C(C)C)n1CC1CCN(CC(F)(F)F)CC1)[C@H]1CCS(=O)(=O)C1 1689980386 QQZZMKHMJGUQSE-KRWDZBQOSA-N 461.554 2.303 30 10 JEEE C#CCN(c1nnc(-c2c[nH]c3ccccc23)n1CCC(=O)N[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1689988401 OEWQIFQECNHFCR-MSOLQXFVSA-N 482.610 2.358 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccnc(-n2cccn2)c1 1690006674 WRTMCFOVJVSEIW-UHFFFAOYSA-N 471.546 2.050 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(N(C)C)nc2)CC1 1690150576 MUCLTMJCLNLHRV-UHFFFAOYSA-N 478.626 2.109 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](C(N)=O)C1 1690239203 TUMQJDYDAPFXQV-GGPKGHCWSA-N 473.599 2.032 30 10 JEEE C=C(C)COCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN2CCCC[C@H]2C1 1690302496 GFGSFAHEBXCMLI-NRFANRHFSA-N 488.658 2.463 30 10 JEEE C=C(C)COCCn1c(N2CCN(c3ccc(C#N)cn3)CC2)nnc1[C@]1(OCC)CCOC1 1690320277 PBFWTPVZNDHVBS-DEOSSOPVSA-N 467.574 2.116 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C)(C#N)CC1 1690671967 FCFXLWOQRREGMR-QGZVFWFLSA-N 473.578 2.019 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1690675716 CJYZBQDWECLVCK-PXNSSMCTSA-N 495.584 2.380 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCN(c2ccccc2OCC)CC1 1690722347 GMGXQQASXHLXFL-UHFFFAOYSA-N 483.598 2.061 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)ccc2C)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1690729278 KQWXFKQCXQYANT-NRFANRHFSA-N 484.626 2.251 30 10 JEEE C=CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(NS(C)(=O)=O)CC1 1690747060 SAWXRCBQMNRTNR-IBGZPJMESA-N 479.628 2.228 30 10 JEEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCN2S(C)(=O)=O)C[C@@H](C)S1 1693830563 FTGXLWWTWGROAB-ZHALLVOQSA-N 490.655 2.483 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCC(C)CC2)nc1 1705495188 LUSXHHCOIRPEGH-AZUAARDMSA-N 456.616 2.318 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(=O)c2cccs2)CC1 1705534621 MWJWEAXCBFQBIP-GOSISDBHSA-N 491.639 2.185 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C1CC1)[C@H]1CCS(=O)(=O)C1 1705566886 RNVQSFJXPUPNRU-AEFFLSMTSA-N 463.604 2.354 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCc2nccn2C1 1705583069 PMJSDDLXFVEEBC-UXHICEINSA-N 479.585 2.118 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@H]2CN(CC(C)C)CCO2)CC1 1705646196 UGIBMRDDKCSYGG-DEOSSOPVSA-N 494.640 2.276 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCCCN2CCCC[C@@H]2C)CC1 1705648043 PPCUUXASOIXSHZ-FQEVSTJZSA-N 464.618 2.356 30 10 JEEE C#CCSCCn1c(-c2cc(Br)cn2C)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1705655886 QPUYIZIKZGSGFR-ZDUSSCGKSA-N 474.450 2.282 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1705709451 PNGOOPGRIGGSHM-KNQAVFIVSA-N 471.606 2.176 30 10 JEEE C=CC1CCN(c2nnc(-c3noc4c3COCC4)n2CCCN(CC)S(C)(=O)=O)CC1 1705780170 ICLUJCAPNQINCT-UHFFFAOYSA-N 464.592 2.080 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 1705936327 OFBNPCXUQDXITJ-JKSUJKDBSA-N 488.536 2.440 30 10 JEEE CC[C@H](C)[C@](C)(O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1708347593 GRDRHIOXICRUDH-TVVUZDRGSA-N 469.565 2.364 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1722284993 ROANGQWJYJOUPF-MBOBHEEDSA-N 461.526 2.132 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(-n2ccnc2C)c(F)c1 1722390768 UOFGVEOADKHBSA-KRWDZBQOSA-N 483.573 2.033 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CC=CCO1 1722398319 ZQHCGXOZTBNNIE-PMACEKPBSA-N 455.559 2.395 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1ccccc1)C1CC1 1722414094 VNXOHMXEWVLXMW-NHCUHLMSSA-N 457.600 2.264 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H](OC)C2CC2)CC1 1722441894 WMRMOTXZDAYNFU-ZCNNSNEGSA-N 458.607 2.229 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H]2CCN(CCC)C2)CC1 1722443618 LLLLDYZGJZRRTK-HFZDXXHNSA-N 486.661 2.016 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CCOCC)[C@@H](CC)C1 1722508925 UVQJERMJDFSSJS-DYQZNNLLSA-N 460.623 2.148 30 10 JEEE C=C(C)COCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](OC)[C@H](OC)C1 1722533050 FUFKPPGVHCHBII-QRVBRYPASA-N 481.594 2.029 30 10 JEEE C=CC1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1722578806 BUUUXIZPJIAYRU-QHCPKHFHSA-N 460.600 2.426 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2csc(C)n2)n1C[C@]1(O)CCS(=O)(=O)C1 1722656429 CRZHRQAUEGVEGS-HSZRJFAPSA-N 498.634 2.248 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1722699434 IMYFZJCRJSOWJK-JOCHJYFZSA-N 486.064 2.429 30 10 JEEE C=CCNC(=O)Cn1c(N2CCN([C@H](C)c3ccsc3)CC2)nnc1[C@]1(OCC)CCOC1 1722704689 WQAUJLBNPMJOPY-JPYJTQIMSA-N 474.631 2.177 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CC)[C@@H](C)C1 1722730920 HMKUHAYWIDHRGD-ZWKOTPCHSA-N 462.620 2.032 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)(C)c1ccc2c(c1)OCCO2 1740532507 HGWLZZVXGMWAQE-JKSUJKDBSA-N 461.588 2.095 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H](C)CN1CCOCC1 1740687597 CPMVOQBHKAATFZ-RTWAWAEBSA-N 490.649 2.404 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@]2(O)CCO[C@@H]2C)CC1 1740702590 SSMOEYXSTVSBLZ-YYULODDRSA-N 485.560 2.063 30 10 JEEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1740709223 CXZQSNDRYSNZFX-UHFFFAOYSA-N 466.615 2.156 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(CC#N)CC1 1740960144 LVOZSKPQVXXSMV-GOSISDBHSA-N 473.578 2.019 30 10 JEEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1740963548 OEHWTQWXXLQRHT-CHWSQXEVSA-N 456.494 2.206 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1740992977 QRKIQUIWXZGAPH-LJQANCHMSA-N 455.588 2.112 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@H](c2nnc(N3CCO[C@@H](C#N)C3)n2CCN2CCSCC2)C1 1741213229 AZMWBJNYJLHDSD-OALUTQOASA-N 491.662 2.170 30 10 JEEE Cc1ccc(C(=O)NCCn2c([C@H]3CCC(=O)N3)nnc2N2CCC[C@](C)(C#N)C2)cc1F 1742152351 BWOHOYYQVPVEHO-WZONZLPQSA-N 453.522 2.237 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCNS(=O)(=O)c1ccc(C)s1 1748641384 GHIMSXFWWPNFJQ-IIBYNOLFSA-N 481.644 2.125 30 10 JEEE C#CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCn2nc(C)nc2C1 1748717762 HWEIYQWCIVYRSY-SFHVURJKSA-N 470.578 2.310 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1ccnc(OC(F)F)c1)[C@H]1CCS(=O)(=O)C1 1748815313 OOEFDUJJOICALU-DLBZAZTESA-N 481.525 2.191 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc(C)o3)n2C[C@]2(C)COCCO2)n1 1748970965 YSASJBAOTHEXEB-HSZRJFAPSA-N 454.531 2.135 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC[C@](C)(O)c2ccccc2)CC1 1748979280 XFRAQQVZUJBMQT-UIOOFZCWSA-N 467.614 2.372 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2CC[C@@H](N2CCOCC2)C(F)(F)F)CC1 1749008609 AFGNHLNYXAQIDE-LJQANCHMSA-N 482.551 2.165 30 10 JEEE C#CCSCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCO[C@@H](COC)C1 1749032493 JJALHJZRFFUMCE-GOSISDBHSA-N 482.610 2.454 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2cc(OC)c(OC)cc2CC1 1749039577 WUDYORKMSISQFM-LJQANCHMSA-N 490.651 2.169 30 10 JEEE C#CCSCCn1c(COc2ccccc2OC)nnc1N1CC[C@@H](N2CCCC2=O)C1 1749047842 DXGVGIAZLBRYGT-GOSISDBHSA-N 455.584 2.433 30 10 JEEE C=C(Br)Cn1c(CNC(=O)c2cccs2)nnc1N(C)CCCS(C)(=O)=O 1749109078 BWJFWVIGBJTLRM-UHFFFAOYSA-N 476.422 2.049 30 10 JEEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](COc2ccccc2)C1 1749268745 GLBRLSNSMUMQKK-IEBWSBKVSA-N 482.006 2.269 30 10 JEEE C=CCN(CC=C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1749561226 JOVCZTZXIKQFQO-AWEZNQCLSA-N 469.409 2.496 30 10 JEEE C=CCN(CCOC)c1nnc(-c2cccc3cccnc23)n1CCC(=O)N1CCOCC1 1749594066 DZBLDFGOYKIPQL-UHFFFAOYSA-N 450.543 2.381 30 10 JEEE Cc1cc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(S(=O)(=O)CCOC(C)C)CC2)no1 1751421133 BHABHDSKGDLTHT-UHFFFAOYSA-N 499.597 2.038 30 10 JEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)Cc1ccc2c(c1)OCO2 1760138458 YVXXXSHAGYEOMF-NRFANRHFSA-N 489.598 2.170 30 10 JEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@](C)(O)c1cc(C)oc1C 1760169818 DMAOXSWETQTEMZ-JOCHJYFZSA-N 456.572 2.425 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@]1(N(C)C)CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1760185303 VBYKZLDULCZBTQ-REHUZNOOSA-N 472.659 2.421 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2Cc2cccc(C(F)(F)F)c2)CC1 1760271070 KTFAFARSNUFVDF-UHFFFAOYSA-N 488.514 2.433 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(CCOc2ccccc2)n1CCN1CCN(C(C)=O)CC1 1760297248 MRMKPCBCVSTTJP-RUZDIDTESA-N 450.587 2.056 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CCOC)[C@H](CCC)C1 1760333390 DYFYZSVYNXCVAK-JBPLPALLSA-N 460.623 2.148 30 10 JEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccc(N3CCOCC3)c2)CC1 1760396399 COAQVHDULKCADD-SFHVURJKSA-N 474.631 2.176 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1)C(C)C 1760489746 JDLWPLDWSCXWDO-UPUUWEMXSA-N 472.634 2.312 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C)=C(Br)C1 1760514304 ARKQCPXUICOQOL-UHFFFAOYSA-N 460.336 2.107 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)c1sc(CC)nc1C 1760522365 RTJVQVZBUQSGFC-GJZGRUSLSA-N 466.633 2.007 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCc2cc(OC)c(OC)cc2CC1 1760525600 LFOARBWRIZVTSN-UHFFFAOYSA-N 462.554 2.189 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1760557251 FRGANEMQTVPIRS-ROKPMTFOSA-N 474.627 2.437 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)C1 1760777896 CZTAARLGKDRIKI-HOIFWPIMSA-N 496.609 2.269 30 10 JEEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@H]2c2ccc3c(c2)OCCO3)c1 1862706826 GNVMEHJOSFVOPC-NRFANRHFSA-N 452.463 2.181 30 10 JEEE CN(C)c1ccc(-n2nnc(C#N)c2NC(=O)CN2C(=O)c3ccc(Br)cc3C2=O)cc1 1870155439 NJXSGASEECHAHT-UHFFFAOYSA-N 494.309 2.202 30 10 JEEE C=CCn1cc(OCC(=O)N=c2nc3nc(C)cc(C)n3[nH]2)c(=O)cc1CN1CCc2ccccc2C1 1870429954 WLZDJTDZEYDUNP-UHFFFAOYSA-N 499.575 2.087 30 10 JEEE CCCCCCCCn1cc(OCC(N)=O)c(=O)cc1CN1CCN(c2ncccn2)CC1 1870668173 SPSHQHNGUSHGJD-UHFFFAOYSA-N 456.591 2.185 30 10 JEEE COc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)C(=O)Nc3ccc(C#N)cc3)CC2)cc1 1873864778 XJNKWCFJESINSE-INIZCTEOSA-N 470.551 2.111 30 10 JEEE COc1ccccc1OCC#CCNC(=O)[C@H]1SCC(=O)N(C2CC2)[C@H]1c1cccnc1 1889466273 QVPXRHLMBMJZSH-GOTSBHOMSA-N 451.548 2.436 30 10 JEEE CC(C)(C)OC(=O)N[C@]1(C(=O)NCc2cccc(B3OC(C)(C)C(C)(C)O3)c2)C[C@H](CO)C1 2193995003 TVJGDFAQPWTVRZ-SMQSCJQKSA-N 460.380 2.268 30 10 JEEE CC(C)(C)OC(=O)N1[C@H](C(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)C[C@H]2OCC[C@@H]21 2206613999 ZYPRNZXOMXWROV-YESZJQIVSA-N 459.352 2.486 30 10 JEEE COCCN(CCNC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2255844482 XKVYWVXFXVAYGQ-UHFFFAOYSA-N 455.386 2.056 30 10 JEEE Cc1nc(C(=O)N[C@@H]2COC[C@H]2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2267166421 RRECULRDGYHDQN-ZIAGYGMSSA-N 467.397 2.020 30 10 JEEE CC(C)(C)OC(=O)N[C@](C)(CO)CNC(=O)c1c(F)cccc1B1OC(C)(C)C(C)(C)O1 2267445983 MHOBBGOHVIMHFS-QFIPXVFZSA-N 452.332 2.130 30 10 JEEE C=C(CS(=O)(=O)Nc1n[nH]c(CCN(C)C(=O)OC(C)(C)C)n1)B1OC(C)(C)C(C)(C)O1 2267472753 VJAWRSOKGZNVKP-UHFFFAOYSA-N 471.389 2.143 30 10 JEEE CN(Cc1ccccc1)[C@@]1(CNC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)CCOC1 2267542230 ORRGCTXFRKJJFO-HSZRJFAPSA-N 457.405 2.463 30 10 JEEE CC(C)(C)OC(=O)N1CC(CO)(CNC(=O)c2c(F)cccc2B2OC(C)(C)C(C)(C)O2)C1 2281784798 CXFUAHJXHCDRCK-UHFFFAOYSA-N 464.343 2.084 30 10 JEEE CC(C)(C)OC(=O)NC[C@]12CCC[C@H]1CN(C(=O)c1cc(B3OC(C)(C)C(C)(C)O3)n[nH]1)C2 2281982506 NKVMVYQPZQDICP-WNSKOXEYSA-N 460.384 2.476 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H]2CCN(C(=O)c3ncc(B4OC(C)(C)C(C)(C)O4)cn3)C[C@@H]21 2282012935 CHHNIZUBZNQAER-WBVHZDCISA-N 458.368 2.247 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(=O)O)N(C(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)C1 2282023223 LHQBPTHOZFOAHB-JSGCOSHPSA-N 481.380 2.025 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCCC2(CN(C(=O)OC(C)(C)C)C2)C1 2282044280 SKJZNRIWPCZEIC-UHFFFAOYSA-N 460.384 2.192 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1OC 2282121199 ACFZLQSFTUZCPU-WMZOPIPTSA-N 463.384 2.171 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H]2COC[C@@H](C1)N2C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2282209465 SGPKNAHVBMQTKD-DLBZAZTESA-N 461.368 2.164 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2[C@H](NS(=O)(=O)c3ccc(F)cc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2282416266 SZWPXSVTKJFLFH-HWWDLCQESA-N 482.383 2.269 30 10 JEEE Cc1nc(S(=O)(=O)N(Cc2ccccc2)[C@@H](CO)C(C)C)c(B2OC(C)(C)C(C)(C)O2)n1C 2282509871 QNQVWZFGMNBIOI-IBGZPJMESA-N 477.436 2.236 30 10 JEEE CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CCCN(C(=O)C2(B3OC(C)(C)C(C)(C)O3)CC2)C1 2282545082 PYSLONLPBITOAX-MRXNPFEDSA-N 465.400 2.492 30 10 JEEE Cn1cc(C(=O)N[C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)nc1B1OC(C)(C)C(C)(C)O1 2282546061 UJCNBITUSDLXQP-XUVXKRRUSA-N 450.392 2.360 30 10 JEEE Cn1cc(C(=O)N=S2(=O)CCC(NC(=O)OC(C)(C)C)CC2)nc1B1OC(C)(C)C(C)(C)O1 2282555805 YVQIYRZBRGWNTB-UHFFFAOYSA-N 482.412 2.015 30 10 JEEE Cn1ncc(C(=O)N2C[C@@H](CNC(=O)OC(C)(C)C)C(C)(C)C2)c1B1OC(C)(C)C(C)(C)O1 2282570359 FZFZPWIHMCMYJU-OAHLLOKOSA-N 462.400 2.342 30 10 JEEE Cn1cc(C(=O)N2C[C@H](NC(=O)OC(C)(C)C)CC(C)(C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2282578520 SIZPTOIAZJNBON-OAHLLOKOSA-N 462.400 2.485 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1COC[C@H]1NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282606772 GFIIEGDFDJCQCG-XJKSGUPXSA-N 481.786 2.304 30 10 JEEE CC(C)(C)OC(=O)N[C@]12CCC[C@H]1CN(C(=O)c1ncc(B3OC(C)(C)C(C)(C)O3)cn1)C2 2282611823 AXQQBKSJGQKOBO-WNSKOXEYSA-N 458.368 2.295 30 10 JEEE Cc1cc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2O)ccc1B1OC(C)(C)C(C)(C)O1 2282694493 HDNRVXRJZGAVBO-OALUTQOASA-N 460.380 2.394 30 10 JEEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC(C)(C)[C@H]1CCCN1C(=O)OC(C)(C)C 2282699446 JFBGKDXUEWWHSA-CQSZACIVSA-N 463.388 2.022 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CCC(N)=O)C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)c1F 2284042582 SSBWMZBWKYXNIW-HNNXBMFYSA-N 465.331 2.222 30 10 JEEE CC(C)(C)OC(=O)NC1CC(O)(C(=O)N2CCc3cccc(B4OC(C)(C)C(C)(C)O4)c32)C1 2284052226 WAOZLBAMAAFORY-UHFFFAOYSA-N 458.364 2.293 30 10 JEEE CC1(C)OB(c2cccc(S(=O)(=O)N[C@H](COCc3ccccc3)CC(=O)O)c2)OC1(C)C 2284410897 FJKZFXWBNWNKDN-IBGZPJMESA-N 475.372 2.324 30 10 JEEE C#CCN(CC(=O)NCc1ccc(OC)c(B2OC(C)(C)C(C)(C)O2)c1)C(=O)OC(C)(C)C 2296179671 CKZQLMJLTJAJJV-UHFFFAOYSA-N 458.364 2.481 30 10 JEEE CCn1c(N2CCN(C)CC2)c(C=C2SC(=S)N(C[C@H]3CCCO3)C2=O)c(C)c(C#N)c1=O 2314426161 NJYVLLCGJYGSGF-MRXNPFEDSA-N 487.651 2.180 30 10 JEEE Cn1cc(C(=O)N2CC(F)(F)[C@@](C)(NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2361916007 MPEMTCAAIRLLHL-FQEVSTJZSA-N 470.326 2.094 30 10 JEEE CCOc1ccc(N(CCC#N)C(=O)CN2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 10986284 DJRUSXGLIHVJNE-UHFFFAOYSA-N 481.578 2.210 30 10 JEEE COc1cc(NC(=O)CSc2nnc(N/N=C/c3ccccc3OC)n2N)cc(OC)c1 21319765 PRPZMWREKPKDOO-SSDVNMTOSA-N 457.516 2.195 30 10 JEEE COc1cc(/C=N/Nc2nnc(SCC(=O)N[C@H](C)c3ccccc3)n2N)cc([N+](=O)[O-])c1O 21326988 MEBTUJQANMCATQ-OWGFIJSYSA-N 486.514 2.030 30 10 JEEE COc1ccc(OC)c([C@H]2/C(=C(/O)c3ccncc3)C(=O)C(=O)N2CCCN2CCOCC2)c1 102502278 NSDWQOWFQBNWOT-VFJWVMJUSA-N 467.522 2.243 30 10 JEEE CC1CCN(S(=O)(=O)c2ccc(C(=O)N3CCN(c4ncccc4C#N)CC3)cc2)CC1 105284056 QREPQXLINUFODL-UHFFFAOYSA-N 453.568 2.336 30 10 JEEE C#CCn1c(=NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)sc2cccc(OC)c21 254296619 ZFSQOEZZYZKDPU-UHFFFAOYSA-N 471.560 2.107 30 10 JEEE C=CCOc1ccc(C=c2sc3nc(=O)c(Cc4ccc(F)cc4)nn3c2=O)cc1OC 254873409 OQRWNOCXUIZWDE-UHFFFAOYSA-N 451.479 2.362 30 10 JEEE O=C(N[C@H]1CCNC[C@@H]1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 585840321 VSUISZQAVPAPCJ-YROIDETFSA-N 469.410 2.402 30 10 JEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)cc2Cl)c(=O)n1C[C@@H]1CCCO1 603800358 WTXPPIIEQYXSRT-HNNXBMFYSA-N 464.374 2.201 30 10 JEEE C#CCN(C(=O)c1ccc(S(=O)(=O)Nc2cccc(C)c2C)cc1)[C@H]1CCS(=O)(=O)C1 729332522 ZCETXAIBBGTLDP-IBGZPJMESA-N 460.577 2.367 30 10 JEEE C#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCN(C)[C@@H](C(=O)O)C1 757313055 RYNXATSBNYMWCU-XZOQPEGZSA-N 461.518 2.144 30 10 JEEE C=CCn1c(CCN2CCCCC2)nn(CN2CCC[C@@H](C(=O)N3CCOCC3)C2)c1=S 874073701 AABLBJNGBIENGG-HXUWFJFHSA-N 462.664 2.157 30 10 JEEE C=CCn1c(C2CC2)nn(CN(C)CC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1=S 919955814 CCMCGNDWQDQKHO-UHFFFAOYSA-N 450.609 2.446 30 10 JEEE CC#CCS(=O)(=O)c1cccc(C(=O)NC2CCN(CC(=O)Nc3ccccc3)CC2)c1 1135942478 WVXJEOVAJWYQIQ-UHFFFAOYSA-N 453.564 2.317 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1286390698 BDQZXFNENQJBQA-OTWHNJEPSA-N 495.646 2.402 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C)n2C[C@@H](c2cccc(OC)c2)N2CCCC2)CC1 1286488717 RQNOAPGDSACFNR-QHCPKHFHSA-N 450.587 2.398 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2C[C@H](C)CN2CCN(CC)CC2)CC1 1286489529 WLZITVTXFILIJD-JOCHJYFZSA-N 477.657 2.185 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2ccccc2Cl)CC1 1286494028 RAGAOYSNIUPCFP-IBGZPJMESA-N 490.029 2.042 30 10 JEEE C#CCSCCn1c(-c2cc3ccccc3o2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1286498412 HVBWHJVXYHUWIG-UHFFFAOYSA-N 480.594 2.231 30 10 JEEE C#CCSCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCC(C(N)=O)CC1 1286503466 BBPBXHZGHIZTNK-UHFFFAOYSA-N 479.610 2.304 30 10 JEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1286776266 NTNWZQBIEGGKPJ-GJZGRUSLSA-N 488.511 2.277 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1286793275 BQQMJMOUCOUPFS-LLJLJFOGSA-N 490.605 2.037 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCO[C@H](c3ccccc3)C2)nnc1[C@]1(OC(C)C)CCOC1 1286825758 XCNQIOLFAZAPSN-URXFXBBRSA-N 490.626 2.497 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1C[C@@]1(O)CCN(C)C1 1292032409 BCNPQEJFILMDRR-AREMUKBSSA-N 477.613 2.428 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCc1ccc(O)cc1)[C@H]1CCS(=O)(=O)C1 1300491774 IQPGOUSJWDFXEO-IBGZPJMESA-N 451.552 2.224 30 10 JEEE C#CCN(c1nnc([C@H]2COc3ccccc3O2)n1CCSCC=C)[C@@H]1CCS(=O)(=O)C1 1300495408 HBRFTNVFZYDYEX-YLJYHZDGSA-N 474.608 2.337 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1ccncc1 1300537461 HKIFNAYENCDVOO-HXUWFJFHSA-N 450.543 2.297 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CCCS(=O)(=O)C1 1300595472 BIRXXHHJYDHQIM-SLFFLAALSA-N 489.642 2.337 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@@]2(O)CCO[C@H]2C)CC1 1300682804 KARZGJPNYNOUHS-BSRJHKFKSA-N 459.978 2.367 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 1300877726 ZDQSCDYQGVKTPJ-VQTJNVASSA-N 469.652 2.260 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1300877787 ZSXGIRKWPDZPOQ-QUCCMNQESA-N 473.622 2.124 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](CN(CC)CC)C1 1300886306 WYOWPZKEHHDERP-BQJUDKOJSA-N 465.664 2.330 30 10 JEEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCOCC1(C)C 1301297895 VYTLQAKKJLUDCG-SFHVURJKSA-N 464.611 2.320 30 10 JEEE C=CCN(CC=C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCNC(=O)c1ccco1 1301383896 NQZGREBTGCYHNM-UHFFFAOYSA-N 459.510 2.393 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCN(CC(F)(F)F)CC1 1301482739 BITTXLBYPWMNKE-UHFFFAOYSA-N 474.491 2.322 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1301483212 KMPVMTVASNJHGE-UHFFFAOYSA-N 482.976 2.334 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC(CC(=O)NC2CCCC2)CC1 1301498552 QLQMVMGYNMGUOB-FQEVSTJZSA-N 458.607 2.487 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1CCC(N2CCCNC2=O)CC1 1301519018 LSYZKLHSBSMVRI-UHFFFAOYSA-N 499.641 2.265 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1301577829 OJLJJKLHBHVWJB-FXAWDEMLSA-N 480.034 2.356 30 10 JEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CC[C@@H](c2ccccc2)[C@@H]1C 1301587212 RYVVQYDGNKGVLS-AZUAARDMSA-N 457.600 2.384 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CCC1CCOCC1 1303407403 FZMQSFGPAWIBPD-UHFFFAOYSA-N 465.602 2.427 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@@H](C)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1358964652 CVZONQKHCQGUKK-AEFFLSMTSA-N 493.655 2.470 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CN(Cc2ccccc2)CCCO1 1358983926 BALNQZNBIAHYPI-GVAUOCQISA-N 477.609 2.366 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2CC2(N3CCOCC3)CC(OCC)C2)CC1 1359041341 TYFCLRRCIOVLMB-VSZORKFZSA-N 486.661 2.027 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCCOC(F)(F)F)CC1 1359041597 BXVWKNSFFXJYRV-NRFANRHFSA-N 487.523 2.211 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2ccccc2C)C1 1359056887 NGOGDVDTHGFOKU-AZUAARDMSA-N 460.625 2.433 30 10 JEEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)c1ccc(F)c(F)c1 1359056939 OBRXPSZGSMXZPH-DNVCBOLYSA-N 499.609 2.453 30 10 JEEE C=C1CCN(c2nnc(CCN3CCN(c4ccccc4)CC3)n2C[C@@H](COC)OC)CC1 1359167361 CTJSPEJGIKDLLF-QHCPKHFHSA-N 454.619 2.461 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)c1ccccn1)C1CC1 1359251647 RDFLGUCIMWBMSL-SFHVURJKSA-N 460.604 2.139 30 10 JEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CSC[C@@H]1C(=O)N1CCSCC1 1464546309 UKACZNDCLNBBFA-ZIAGYGMSSA-N 450.026 2.499 30 10 JEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCOC3(CC(C(=O)OC)C3)C2)cc1 1465259028 IRCFJFCRMHXNDZ-FIWNRLKKSA-N 451.545 2.115 30 10 JEEE C#CCCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1507569920 KKAROQIOPZYPIU-HSZRJFAPSA-N 484.670 2.070 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1CCSC1)[C@H]1CCS(=O)(=O)C1 1507625169 HNLYSQMKRLAYGT-WMZOPIPTSA-N 476.624 2.342 30 10 JEEE C#CCN(CCOC)c1nnc(C2CCCC2)n1CC(=O)N1CCN(c2ccccc2)CC1 1507712975 VFXMZEUUOKHASZ-UHFFFAOYSA-N 450.587 2.371 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCCN1CCN(c2ccccc2)CC1 1507764556 NGZIIMKNHFBMDC-SQJMNOBHSA-N 499.685 2.093 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)c1ccccc1 1507772887 NUQSQXYVJRTMSH-QMHWCDLVSA-N 457.600 2.407 30 10 JEEE C=CC[C@@H](Cn1c(CN2CCCC2=O)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1)c1ccccc1 1507929442 PPKJTOLDCQMRAL-PWRODBHTSA-N 467.570 2.121 30 10 JEEE C=CC[C@H](Cn1c(CC(C)(C)C)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1)c1ccccc1 1507930669 YXFVATQVFPLJAA-UXHICEINSA-N 450.587 2.374 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1508072195 CJSVBRAGQWZHPG-SFHVURJKSA-N 482.976 2.298 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H](C)CC(C)(C)C1 1508073482 NSAFRYDRLZZHCQ-QGZVFWFLSA-N 474.631 2.370 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1508095155 STPJHBNLQWNLNP-OAQYLSRUSA-N 465.558 2.033 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](NC(=O)CCC)C1 1508140517 IROOJXJQFXAEMP-ROUUACIJSA-N 453.609 2.006 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CC)[C@@H](C)C1 1508149052 OGUXGLXEGWBGFK-OALUTQOASA-N 496.678 2.481 30 10 JEEE CC(C)C(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1510216021 ABWTZYVLXXEFJK-QGZVFWFLSA-N 474.635 2.164 30 10 JEEE CCN(c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(OC)nc1OC)[C@@H]1CCS(=O)(=O)C1 1515393174 HSAKKLNEJMBZKF-LJQANCHMSA-N 482.566 2.291 30 10 JEEE CCO[C@@H]1C[C@H](N(C)c2nnc(COc3ccc(C#N)cc3)n2CCS(C)(=O)=O)C1(C)C 1516377805 CNOVWSBYSPWWKF-RBUKOAKNSA-N 461.588 2.413 30 10 JEEE C#CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1539097199 FSWLQNUAARFGTG-UHFFFAOYSA-N 466.586 2.120 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1CCCOC[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1539211817 PLIPECGOCNOOEN-RTWAWAEBSA-N 472.611 2.323 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCN1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1539213346 YDOKUQDZSVUNBM-IBGZPJMESA-N 477.034 2.352 30 10 JEEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccnc(OC2CCOCC2)c1 1539383876 NKNRMNIRWNGPJL-UGKGYDQZSA-N 455.559 2.463 30 10 JEEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2Cc2cccn(CC)c2=O)CC1 1539452143 MAGRBKGDLVMKNI-UHFFFAOYSA-N 452.509 2.132 30 10 JEEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1539511080 PRXFDJRPAYUPKR-UHFFFAOYSA-N 461.595 2.440 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2c(F)cccc2OC)CC1 1539517623 QALCQECAXUTLDG-KRWDZBQOSA-N 493.630 2.021 30 10 JEEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(S(C)(=O)=O)CC1 1539526991 YLRQHJBTVDEMRE-UHFFFAOYSA-N 459.597 2.109 30 10 JEEE C=C(C)COCCn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1539760264 ZTXGSCYEQMVSHO-YPAWHYETSA-N 474.650 2.349 30 10 JEEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1c(Cl)c(C(F)(F)F)nn1C)C1CC1 1540095056 MCFXRZYHDHQEAX-SNVBAGLBSA-N 481.932 2.497 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc(C)o2)n1C[C@]1(O)CCS(=O)(=O)C1 1540120101 CDZZMPHIZHNPDJ-HSZRJFAPSA-N 467.551 2.460 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c(-c2cnccn2)nnc1N1CC[C@]2(CCC(=O)N2)C1)C(C)C 1540152656 ZSAVHTYSNZVXHA-HYBUGGRVSA-N 450.591 2.293 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1=CCCOC1 1540180477 OWZLOJWWAUAVFL-JOCHJYFZSA-N 487.626 2.193 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CCN(C(=O)OCC)CC1 1540875649 SRDRLKGOFATPLV-UHFFFAOYSA-N 456.547 2.000 30 10 JEEE C=CCOc1ccc(Cn2c(N3CCNC(=O)[C@@H]3CC)nnc2[C@]2(OCC)CCOC2)cc1 1540878720 GBLLYTSHVBYFEP-RDPSFJRHSA-N 455.559 2.258 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC(C(N)=O)CC1 1540898640 QAMDRNAFIBQOEF-UHFFFAOYSA-N 468.583 2.104 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C)c2ccccc2C1 1540908292 SXDKXCVTAQWTJV-FPOVZHCZSA-N 475.615 2.059 30 10 JEEE C=CCSCCn1c(COCC)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1540922411 NPUQSYJPIFGWDJ-ICSRJNTNSA-N 450.653 2.113 30 10 JEEE CS[C@@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1555832948 HKXSDFAGWAAKSG-FXAWDEMLSA-N 490.655 2.199 30 10 JEEE C#CC[C@H](COC)NC(=O)c1cccc(NC(=O)C[C@H]2SC(N3CCCCC3)=NC2=O)c1 1586385354 DRIKRBYRWMSXLI-RTBURBONSA-N 456.568 2.267 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1C[C@@H](C)SC)[C@@H]1CCS(=O)(=O)C1 1588034588 IVISNOASVRSPIX-UKRRQHHQSA-N 486.461 2.424 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1CCc1ccc(OC)cc1OC)[C@H]1CCS(=O)(=O)C1 1588049150 AUQPKRQKKLPUSY-FQEVSTJZSA-N 481.578 2.227 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(OC)c2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1588595455 UZIJLVWMBYYOOE-RBBKRZOGSA-N 487.626 2.244 30 10 JEEE C#CCN1CCN(c2nnc(CC(C)C)n2Cc2ccc(N3CCC(CO)CC3)cc2)CC1 1588836064 DJSNFXSLGAIKKR-UHFFFAOYSA-N 450.631 2.489 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCN2CCC[C@H]2C)CC1 1588908351 PVLCXUNADRHUDX-LJQANCHMSA-N 480.613 2.412 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2CCCc2nc(C)no2)CC1 1588908812 WUWBIWRLTHQPQI-UHFFFAOYSA-N 463.542 2.244 30 10 JEEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1589109607 HEQTXMKUMDMNGK-PNLZDCPESA-N 475.640 2.409 30 10 JEEE C=CCN(CCc1ccco1)c1nnc(-c2ccccn2)n1CC1(O)CCS(=O)(=O)CC1 1595250906 LXJDCZSZDRMWIE-UHFFFAOYSA-N 457.556 2.108 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CC1COC(C)(C)OC1 1595602818 RRVSZRMYOBPJQI-SFHVURJKSA-N 492.621 2.488 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1595772567 COCDUCVOKIOHQJ-UHFFFAOYSA-N 467.555 2.041 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1595805288 MTKRZNPZRBPUCW-HSZRJFAPSA-N 495.596 2.049 30 10 JEEE C=C[C@H](C)ONC(=O)Cn1c(=O)c2c(ncn2Cc2ccccc2)n(Cc2ccccc2)c1=O 1628287110 MXOHGSXEXVJBJL-SFHVURJKSA-N 459.506 2.079 30 10 JEEE C=CCNS(=O)(=O)c1ccc(C(=O)NCc2nc3cc(Br)cnc3[nH]2)cc1 1629099817 OIDYZBCTWCMLAR-UHFFFAOYSA-N 450.318 2.115 30 10 JEEE N#Cc1ccc(S(=O)(=O)CCN2CCC[C@H](S(=O)(=O)N3CCc4ccccc43)C2)cc1 1653225636 CNRLHWZQQHTDSI-NRFANRHFSA-N 459.593 2.189 30 10 JEEE N#Cc1ccc(S(=O)(=O)NC[C@@H]2CCCN(C(=O)C(F)(F)F)C2)cc1Br 1670024543 HXIUCVPMQLFFLU-JTQLQIEISA-N 454.268 2.400 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CCCOC2CCOCC2)c1 1689870357 LHFUEGREEAOTLB-UHFFFAOYSA-N 477.569 2.321 30 10 JEEE C#CCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1689973863 SZGFVLGQIMYNJN-PZJWPPBQSA-N 468.583 2.002 30 10 JEEE C#CCN(c1nnc(-c2cc3ccccc3o2)n1CCNC(=O)C(C)C)[C@H]1CCS(=O)(=O)C1 1689981870 COEVUKCCJYZKPV-SFHVURJKSA-N 469.567 2.090 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1C[C@H]1NC(=O)CC1(C)C)[C@@H]1CCS(=O)(=O)C1 1689984138 LSLJNGIMGXHJRW-QZTJIDSGSA-N 476.002 2.140 30 10 JEEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1CCc1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1689997024 UJZHLDPPCZCHLC-LJQANCHMSA-N 499.593 2.340 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCO3)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1690041042 YAAFEZWICNRFBZ-OAQYLSRUSA-N 476.581 2.079 30 10 JEEE C#CCN(CC#CC)c1nnc(Cc2ccccn2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1690049880 LMWGMSPCWFRDKR-OAQYLSRUSA-N 455.566 2.395 30 10 JEEE C#CCN(CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCC1(O)CCOCC1 1690082639 JIHFZBQNXSYMLH-UHFFFAOYSA-N 466.630 2.034 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)s3)n2CC(=O)NCCC)CC1 1690116015 ZMYRYBQJGHLVGE-UHFFFAOYSA-N 451.394 2.051 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CCN(C)C2CCCCC2)CC1 1690148583 LZNIJUAKJYLMKN-UHFFFAOYSA-N 463.630 2.494 30 10 JEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCN(C)Cc2ccc(F)cc2)CC1 1690364704 VVYCZQKWTOJWAQ-KRWDZBQOSA-N 450.584 2.316 30 10 JEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 1690509219 ZWRYHRWFUIHYPE-KZNAEPCWSA-N 483.635 2.122 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1690673352 TWQJSCLHUZKDQH-UHFFFAOYSA-N 489.580 2.021 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCN(C2CCCCC2)CC1 1690725608 WHWXRUFHEXWPAP-UHFFFAOYSA-N 458.632 2.319 30 10 JEEE Cc1cc(C(F)(F)F)ccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1 1692957518 CRTKXAALZYFTGX-WBVHZDCISA-N 469.489 2.285 30 10 JEEE Cc1ccccc1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(C#N)C1 1693266884 FHIMTRYUZOQAOF-REWPJTCUSA-N 472.615 2.292 30 10 JEEE C#CCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1705528991 ZLSVXHLSVOKQHB-PKOBYXMFSA-N 453.543 2.455 30 10 JEEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(O)(C(F)(F)F)CC1 1705531584 OVECBWDWIMSLEI-UHFFFAOYSA-N 460.460 2.499 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC1(O)CCCC1)[C@H]1CCS(=O)(=O)C1 1705560628 LZLFGTAYRIMOSY-FQEVSTJZSA-N 485.610 2.079 30 10 JEEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1[C@@H]1C[C@H]1C(C)C)[C@@H]1CCS(=O)(=O)C1 1705568375 MOJNWOHOMIFTJQ-IXDOHACOSA-N 461.613 2.113 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1Cc1ccc(-n2cccn2)cc1)[C@H]1CCS(=O)(=O)C1 1705571041 VGUHLPFXVDGKGM-NRFANRHFSA-N 452.584 2.337 30 10 JEEE C#CCN(c1nnc(CC)n1C[C@@H]1CCN(c2ccccc2OC)C1)[C@H]1CCS(=O)(=O)C1 1705571128 WATOCBZCJIQSHU-MOPGFXCFSA-N 457.600 2.002 30 10 JEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1CC1(N2CCC(OC)CC2)CCCC1 1705600703 JKRDVYFPSNTUGS-UHFFFAOYSA-N 466.630 2.287 30 10 JEEE C#CCSCCn1c(N2CCN(C(=O)c3ccccc3O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1705664903 FHNOONUYGCTVMA-RUZDIDTESA-N 499.637 2.353 30 10 JEEE C=C(Br)Cn1c(-c2noc3c2COCC3)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1705684964 ILHRKJHTSQBQCQ-AWEZNQCLSA-N 465.352 2.219 30 10 JEEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1705786368 MICYMSNCQBFHLN-HRAATJIYSA-N 455.625 2.265 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CC[C@H](C(=O)N(C)c2ccccc2)C1 1705901035 YIWURNHTYWAREE-IBGZPJMESA-N 459.554 2.440 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1Cc1ccc(OCCO)c(OC)c1 1722297010 CBBZOBOIPXWLEG-GOSISDBHSA-N 460.538 2.403 30 10 JEEE C#CCN(c1nnc(C2CCN(c3ncccn3)CC2)n1CCC(C)C)[C@@H]1CCS(=O)(=O)C1 1722367333 MSNMIXBNJONXFS-HXUWFJFHSA-N 471.631 2.125 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1CCCNC(=O)c1occc1C)[C@H]1CCS(=O)(=O)C1 1722367775 OFUCZNIFXVDMFT-SFHVURJKSA-N 475.615 2.215 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H](C)COC)CC1 1722443088 NAJXHRHXRPUMOR-KRWDZBQOSA-N 455.559 2.211 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H]2CC=CCO2)CC1 1722446814 CJZLHHRRJSXCGL-GOSISDBHSA-N 455.509 2.458 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(C2CC2)C(=O)C1 1722723642 BHYGHVJYQSJCBB-FQEVSTJZSA-N 457.600 2.232 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1722752192 YJJPKXSFMBKIHO-ROUUACIJSA-N 476.599 2.426 30 10 JEEE CC1(C)COCCN1CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](CC(N)=O)C1 1724030256 BLGJFJMIZSMMAG-LJQANCHMSA-N 451.575 2.019 30 10 JEEE CCC[C@](C)(O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1727898985 DDQVTNAWEPBYDW-OSPHWJPCSA-N 483.621 2.124 30 10 JEEE CCNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@](C)(O)[C@H](C)CC)CC1 1728676245 CNDQKEDIWLMJHY-KOSHJBKYSA-N 469.590 2.377 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1C[C@H](C)COC)[C@@H]1CCS(=O)(=O)C1 1740617232 ODWSQWGGGWBKDR-OKZBNKHCSA-N 464.563 2.466 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1740627263 OYVPWSRDQHSABP-QZTJIDSGSA-N 467.636 2.359 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@H](C)N(C)C1CC1)[C@H]1CCS(=O)(=O)C1 1740627905 LCVUYDTWXUTJIC-FPOVZHCZSA-N 471.627 2.275 30 10 JEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1 1740709380 MTSVQNBBPWSRTR-CVEARBPZSA-N 481.648 2.145 30 10 JEEE C=CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1740865859 SIHXJYOIBHLSDA-IBGZPJMESA-N 485.614 2.393 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 1740952529 HIFSPKMBCHMWBO-AWEZNQCLSA-N 484.420 2.269 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1740955185 YBZABSWLXAOURD-WBVHZDCISA-N 477.656 2.447 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](CC(N)=O)C1 1740968596 LGLGZOYQSPGYCN-SFHVURJKSA-N 452.559 2.219 30 10 JEEE CC[C@H](C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCCN1CCN(CC)CC1 1743745809 CKYXZKQYMYIOCY-NRFANRHFSA-N 465.650 2.412 30 10 JEEE CCCOc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H](C)N2CCN(CC)CC2)cc1OC 1745808430 HFQYDIZLROKGIV-IRLDBZIGSA-N 497.644 2.497 30 10 JEEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@]2(C)CCCS2)c1 1747602066 CTZWOKPCINIJNB-UWJYYQICSA-N 476.628 2.210 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2C[C@@H](C)N2CCN(CC)CC2)c1 1748691307 CHDILXWCTNTSGX-OAQYLSRUSA-N 486.624 2.422 30 10 JEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1748790497 YZDRZAHNPZBCRG-AXHZCLLHSA-N 475.590 2.384 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCCCSC)[C@H]1CCS(=O)(=O)C1 1748818829 HCZZTMHMVVUOHV-KRWDZBQOSA-N 453.659 2.404 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2CCCN2C(=O)NC3(CCCC3)C2=O)CC1 1749005306 VDTMUBHOTIROQL-SFHVURJKSA-N 483.617 2.012 30 10 JEEE C=C(Br)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C(=O)NC)CC1 1749109118 DBMHKDZISCAVJS-UHFFFAOYSA-N 463.380 2.442 30 10 JEEE C=C(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1749203641 GYZYBFJWTLZKMS-UHFFFAOYSA-N 450.543 2.380 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ncnn1C(C)(C)C 1749591020 LRLKCHBFLTWQQF-QGZVFWFLSA-N 473.603 2.403 30 10 JEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(c2ccc(OC)cc2)CC1 1749630243 PJJUBOIRLXEITQ-HXUWFJFHSA-N 461.588 2.190 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 1749730596 JYQWEUYDJOKPMR-UHFFFAOYSA-N 491.618 2.077 30 10 JEEE Cc1cc(C)cc(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2CCC(=O)N2CCOCC2)c1 1751399932 FEUMEBBIOVDYPB-HSZRJFAPSA-N 456.522 2.165 30 10 JEEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)C(C)(C)C)C[C@@]2(CCOC2)O1 1752311764 FYDGULONAWHDJV-BXKMTCNYSA-N 452.559 2.363 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1760099423 GQLVAFWBNRLCHM-HOYKHHGWSA-N 472.590 2.031 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCCN1c1cnn(C)c1 1760103036 XELFSWDQRQZCFW-UYAOXDASSA-N 496.641 2.056 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2CCCN2CCCCC2=O)c1 1760128880 VIKHZCMLHVEQBS-FQEVSTJZSA-N 464.570 2.241 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1cnn(CC(C)C)c1C)[C@H]1CCS(=O)(=O)C1 1760190490 RGMFGLKJQOXLSE-QFIPXVFZSA-N 481.626 2.100 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(OC)ccc2Br)n1CC1(S(C)(=O)=O)CC1 1760197153 RHFDJKWAARTJIS-UHFFFAOYSA-N 477.384 2.366 30 10 JEEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1nccc(C(F)F)n1 1760206480 ANDVLRURJDNKAX-UHFFFAOYSA-N 490.562 2.492 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)cc1OCC1CC1 1760233179 JXXBYCKWYPQSKI-JOCHJYFZSA-N 487.626 2.216 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(Br)s2)n1C[C@H]1CCS(=O)(=O)C1 1760245218 WDYVOVOGPZFRQV-CYBMUJFWSA-N 473.418 2.290 30 10 JEEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2CCC(=O)NC2CCCCC2)CC1 1760260908 HGYYNDFAWLBYNH-UHFFFAOYSA-N 464.614 2.494 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCCCN2CCC(C)CC2)CC1 1760268279 HBBGVVYYBMTQBZ-UHFFFAOYSA-N 464.618 2.213 30 10 JEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCCN(C(=O)c2cccc(F)c2)CC1 1760272231 DDHRJSZVPUQERY-UHFFFAOYSA-N 472.590 2.274 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1760313391 NMPCZLQTDYRQTI-LTMIRXACSA-N 479.647 2.193 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC)c(OC)c1 1760337061 MWLMPFZXQBXKIH-HXUWFJFHSA-N 479.603 2.079 30 10 JEEE CC(C)(C)CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCS(C)(=O)=O)CC1 1760767177 FRPFIHQUXTVDOD-UHFFFAOYSA-N 474.631 2.332 30 10 JEEE C[C@H]1CCCN(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)C1 1762920477 HUYRWWTVYSXXBM-UGKGYDQZSA-N 486.642 2.474 30 10 JEEE CCCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCO[C@@H](C#N)C1 1766240305 DUHZPWCOZUGCHB-ZDUSSCGKSA-N 451.300 2.102 30 10 JEEE CCS(=O)(=O)N(C)CCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@H](C#N)C1 1766697346 BODSEOPTIQTJOL-VQIMIIECSA-N 497.021 2.472 30 10 JEEE CO[C@]1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(CC(C)C)CC2)CCOC1 1768236949 AJXHAVMWFJAKIN-DEOSSOPVSA-N 454.575 2.312 30 10 JEEE N#CCC1CCN(c2nnc(-c3cnccn3)n2CCS(=O)(=O)Cc2ccccc2)CC1 1770753290 FWCABRJMNLXDKS-UHFFFAOYSA-N 451.556 2.480 30 10 JEEE CCN(C(=O)c1nc(C(=O)Nc2ccccc2C#N)c2ccccn12)[C@@H]1CCS(=O)(=O)C1 1858243350 YGAJJNCMHVKNRN-MRXNPFEDSA-N 451.508 2.107 30 10 JEEE C=CCn1c(C(=O)N2CCC(N(C)C)CC2)cc2c(N3CCC4(CC3)OCCO4)ncnc21 1873561405 XSPXINMWRNFTAV-UHFFFAOYSA-N 454.575 2.127 30 10 JEEE COc1ccc(/C=N/n2c(CCc3ccc(OC)c(OC)c3)nnc2SCC(N)=O)cc1O 1874219382 ITSJBECTCYSBPX-WYMPLXKRSA-N 471.539 2.254 30 10 JEEE CC(C)(C)OC(=O)N[C@H](C(=O)N1CCC[C@@H](B2OC(C)(C)C(C)(C)O2)C1)C1CS(=O)(=O)C1 1890786492 WKRNXASCHGQLGO-CVEARBPZSA-N 472.413 2.009 30 10 JEEE CC1(C)OB(c2ccc3c(c2)N(S(=O)(=O)N2CC(OCc4ccccc4)C2)CC3)OC1(C)C 2161950893 LDCVVQWNYDYSCP-UHFFFAOYSA-N 470.400 2.494 30 10 JEEE Cc1cnc(O[C@]2(C(N)=O)CCCN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2241099505 JCWZFWRXKDUYHE-HSZRJFAPSA-N 461.368 2.323 30 10 JEEE CS[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2255703497 SWYTXXFGGOYWMR-HOTGVXAUSA-N 451.398 2.395 30 10 JEEE CC(C)(C)OC(=O)N1CC(CCO)(NC(=O)c2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2255802602 BEXSQTOJRWKNID-UHFFFAOYSA-N 452.382 2.149 30 10 JEEE CC1(C)OB(c2cc(C(=O)N[C@@H]3CCOC[C@@H]3NC(=O)OCc3ccccc3)ns2)OC1(C)C 2255833513 DYOFGRYPAPBCRN-AEFFLSMTSA-N 487.387 2.256 30 10 JEEE C[C@@H](CC1CN(C(=O)OC(C)(C)C)C1)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2256614213 LPJUQJREXMSGDC-LBPRGKRZSA-N 452.386 2.091 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1COC[C@@H]1C(=O)NCc1sccc1B1OC(C)(C)C(C)(C)O1 2256659966 AIUCDQSGBMDAPL-ZFWWWQNUSA-N 452.382 2.203 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@H]1C 2267190056 JFFMGWQRNUNIDR-VXGBXAGGSA-N 461.315 2.422 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H]1CNS(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2267372278 LYGBYFGCOALTGJ-HZPDHXFCSA-N 466.409 2.425 30 10 JEEE COc1ccc(S(=O)(=O)N[C@H](C)CNC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2267464573 IZJFAKQFQNLBMF-CQSZACIVSA-N 470.397 2.186 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](CO)[C@H](NC(=O)c2csc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267562179 ZGAWEOAXAQXORQ-GOEBONIOSA-N 466.409 2.395 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CC12CC2 2282025294 MVGGDJIJMPUUFQ-MRXNPFEDSA-N 458.368 2.438 30 10 JEEE CCn1cc(C(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C)nc1B1OC(C)(C)C(C)(C)O1 2282033465 UNFZYSFMNGBFLY-HOTGVXAUSA-N 462.400 2.435 30 10 JEEE CC(C)(C)OC(=O)NC[C@@]12CN(C(=O)c3ncsc3B3OC(C)(C)C(C)(C)O3)C[C@@H]1CCO2 2282522984 RWKILZQSSNIAMR-RCDICMHDSA-N 479.408 2.198 30 10 JEEE Cc1ccc(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 2282553552 YKLVLXAAAAUEJV-OCCSQVGLSA-N 455.286 2.218 30 10 JEEE Cc1c(C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282554565 GAUJJBHQMFUKSD-GDBMZVCRSA-N 462.400 2.403 30 10 JEEE C[C@H]1CCN(C(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)[C@H](CNC(=O)OC(C)(C)C)C1 2282578023 MMGNDARTYYPXPK-HOTGVXAUSA-N 462.400 2.485 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(B3OC(C)(C)C(C)(C)O3)sn1)CCO2 2282608709 YIAHTEMBBBBRNC-QFIPXVFZSA-N 479.408 2.294 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1COCCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2O)C1 2282800525 RVODNYGDWGBWOC-INIZCTEOSA-N 462.352 2.057 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2CN(S(=O)(=O)c3cccc(B4OC(C)(C)C(C)(C)O4)c3)C[C@H]2C1 2282856826 YYLJZVYTSMPDBU-CALCHBBNSA-N 478.420 2.473 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1Cc2cccc(B3OC(C)(C)C(C)(C)O3)c2C1 2283947253 YAAGEXZEHIZMNV-VQIMIIECSA-N 458.364 2.198 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H]1C(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)ccc1F 2283963234 KSKFXWMVPUEJEF-FUHWJXTLSA-N 464.343 2.111 30 10 JEEE CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1Cc2cccc(B3OC(C)(C)C(C)(C)O3)c2C1 2283978594 DOHBYHKWVFYBOY-IBGZPJMESA-N 459.396 2.283 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@H](C(=O)Nc3cccc(B4OC(C)(C)C(C)(C)O4)n3)[C@@H]2C1 2284018494 OSROCEAVAWATBT-JYJNAYRXSA-N 459.352 2.201 30 10 JEEE COc1ccc(NC(=O)[C@]2(NC(=O)OC(C)(C)C)C[C@@H](O)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2284052257 WHJUVYSKHGJURA-GPCKLQJOSA-N 462.352 2.351 30 10 JEEE Cc1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2296175491 AABXUCBLQSMVOT-MJGOQNOKSA-N 460.380 2.281 30 10 JEEE O=C(N[C@H]1CCNC[C@H]1C(=O)C=Cc1ccc([N+](=O)[O-])s1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 2328198392 MQJSXRGXBMOWLU-CVEARBPZSA-N 475.439 2.463 30 10 JEEE COc1ccccc1CCc1nnc(SCC(N)=O)n1N=Cc1cc2c(cc1[N+](=O)[O-])OCCO2 2328682440 XWDVGDVXSKLNDA-UHFFFAOYSA-N 498.521 2.211 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](CNC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)CO1 2337395326 XTOVXOGPJRJBCP-ZIAGYGMSSA-N 467.397 2.102 30 10 JEEE C=CCn1c(=O)c2sc(N3CCCCC3)nc2n(CC(=O)NCc2ccc(OC)cc2)c1=O 21655686 FRXBBUBXZOYIFZ-UHFFFAOYSA-N 469.567 2.121 30 10 JEEE COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2cccc(C)c2C)c(=O)n1Cc1ccccc1 609416635 LDDCNSFZWVIJIL-SFHVURJKSA-N 461.587 2.229 30 10 JEEE CC(=NNc1ccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)cn1)c1ccc(S(N)(=O)=O)cc1 916335743 VFTZWYIRFKZHBN-GJZGRUSLSA-N 465.601 2.232 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2OCCC2(C)C)c1 1286309328 JTKKPACNEONABI-RTBURBONSA-N 450.543 2.101 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1CC1([S@](C)=O)CCC1)[C@@H]1CCS(=O)(=O)C1 1286387656 STQPXRBPUFJTGM-JJCDCTGGSA-N 460.625 2.181 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@H](CC(C)C)NC(=O)OCC)[C@H]1CCS(=O)(=O)C1 1286387927 WUQXHJGSNJTLNS-OALUTQOASA-N 490.630 2.071 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CCCS(=O)(=O)c2ccccc2)CC1 1286486484 MUKCVAYXNNAOMR-UHFFFAOYSA-N 471.627 2.405 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@H]2CC(F)(F)CO2)CC1 1286491526 VUVZUKYCIPEBRK-IBGZPJMESA-N 473.524 2.268 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1286778764 AQHJSHKQFBRSKQ-ZWKOTPCHSA-N 476.375 2.394 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2CCCC[C@@H]2C1 1286796997 ZGBRUCWISXCNSA-UYAOXDASSA-N 474.631 2.176 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1286818987 VRQCVSTZZPETLJ-SFHVURJKSA-N 499.597 2.009 30 10 JEEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1286833144 WAWPPEKXKDFOGX-LJQANCHMSA-N 462.664 2.272 30 10 JEEE CC(C)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC2(O)CCOCC2)[C@H](C)C1=O 1287758348 ALVDXFVGWIADLW-LJQANCHMSA-N 466.586 2.441 30 10 JEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](OCc2cccc(OC)c2)C1 1300409339 HTGSBLFFQLNEKP-CTNGQTDRSA-N 458.584 2.398 30 10 JEEE C#CCN(C)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1300430143 IANBAJYJNJKGRA-ZWKOTPCHSA-N 461.588 2.168 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H](F)COC)[C@H]1CCS(=O)(=O)C1 1300489257 KNLQZUNABBGAQR-HOTGVXAUSA-N 470.954 2.218 30 10 JEEE C#CCN(c1nnc(CC)n1CC1=CCN(C(=O)OC(C)(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 1300499063 OYFUUGVPYUMJKE-GOSISDBHSA-N 463.604 2.034 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@H]1CCCCS1(=O)=O 1300511430 JGSCJUJEUXHLOI-SFHVURJKSA-N 472.567 2.011 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1c(CC)nn(C)c1OC 1300527164 CREYHULCUQDFJE-UHFFFAOYSA-N 484.564 2.101 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1OCC(C)C 1300631823 WHEHZKSJQVGWGH-NRFANRHFSA-N 475.615 2.154 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)Nc2ccccn2)n1CC1(S(C)(=O)=O)CC1 1300641697 ISOTYKZQIRMYPV-UHFFFAOYSA-N 482.541 2.282 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@](C)(O)c2cccs2)CC1 1300684942 CTDILYPVOQELNQ-GOTSBHOMSA-N 459.616 2.043 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCCN(C)C(C)C)CC1 1300724985 FEENPZMPMJHKBS-QHCPKHFHSA-N 480.613 2.487 30 10 JEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@H](C)c2cccc(OC)c2)CC1 1300756914 WJEWKHJVUDOCHZ-NQIIRXRSSA-N 468.627 2.487 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1CN(C(=O)OC(C)(C)C)C1 1300915566 OMKUDHBFOWLIKT-KRWDZBQOSA-N 453.609 2.450 30 10 JEEE C=C(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2c(ccnc2O)C1)c1ccccc1 1301002928 AQIBNCHGASPWEM-MRXNPFEDSA-N 454.556 2.265 30 10 JEEE C=CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@H]1NC(=O)CC1(C)C 1301305753 NMCOALDCFAPWEL-OAQYLSRUSA-N 451.619 2.180 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc(Cn2nc(C)cc2C)n1CC1(O)CCS(=O)(=O)CC1 1301350213 TWHPMTBFOFDBKD-UHFFFAOYSA-N 484.626 2.272 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCO[C@H](C(C)C)C1 1301482686 AGMVTTBOCSDSSJ-IBGZPJMESA-N 459.547 2.134 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1301484747 MEQOJEWIGYWOLS-AWEZNQCLSA-N 477.363 2.287 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1301509361 GKEVVWAYKHQYCN-HXUWFJFHSA-N 468.602 2.469 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC(CC(=O)NC)CC2)cc1 1301526399 NNYDCCZQQLTMJZ-FQEVSTJZSA-N 452.559 2.195 30 10 JEEE C[C@]1(C#N)CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1303939540 HPBYDAPKKTUNHT-AUSIDOKSSA-N 483.598 2.140 30 10 JEEE Cc1cscc1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@H](C#N)C1 1304635400 CITHOSKLNFRMLB-SFHVURJKSA-N 472.596 2.342 30 10 JEEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCN2S(C)(=O)=O)CCS1 1305205413 HSEJPTKABHYLPL-FUHWJXTLSA-N 476.628 2.094 30 10 JEEE CC[C@H](C)N(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(N2CCNC2=O)CC1 1305618146 DSTIHZWZHRMWGY-IBGZPJMESA-N 480.617 2.453 30 10 JEEE CCCC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCO[C@H]2C)CC1 1306508523 GGLFFHLJMAXOJM-XDHUDOTRSA-N 452.559 2.242 30 10 JEEE COCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1316106913 GZFWGNPMSGKLRO-WOJBJXKFSA-N 465.602 2.090 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Cl)n1CCCC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1358959398 IFVUJBKCNKHXLE-INIZCTEOSA-N 463.991 2.094 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCN(C)Cc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1358964023 RSURASLIOUJPDG-IRLDBZIGSA-N 489.617 2.070 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(OC)nc1OC 1359016793 MBBLYUFOKOFOLT-IBGZPJMESA-N 464.501 2.469 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2nc(C(C)(C)C)cs2)CC1 1359030810 GNXHNTCNNCZROI-QHCPKHFHSA-N 458.632 2.488 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2Cc2cnnn2C)CC1 1359041098 NIRYKQKBZRAQCA-MRXNPFEDSA-N 482.976 2.214 30 10 JEEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccccc2[C@H]1C 1359057595 DLGOATUKTXUTRQ-XLIONFOSSA-N 475.640 2.101 30 10 JEEE C=C(C)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC(S(C)(=O)=O)CC1 1359117925 DFOJGECSOJSQOW-UHFFFAOYSA-N 466.633 2.136 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(c2ncc(F)cn2)CC1 1359118624 SBJYRXCJXAHGPV-UHFFFAOYSA-N 457.535 2.180 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCSCC1 1359258732 AEDUKUXDFGBGGN-HXUWFJFHSA-N 461.657 2.422 30 10 JEEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1359287495 GSEMQJOGQFSJEN-DLBZAZTESA-N 469.608 2.176 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CCC#N)CC1CC1 1359300940 NGPKOJRMQDCYGU-SFHVURJKSA-N 473.578 2.019 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)OCC(C)C)CC1 1359333000 LWXIKZHVPUWWHW-UHFFFAOYSA-N 455.625 2.382 30 10 JEEE C#CCOc1ccc(CNC(=O)N2C[C@H](C(=O)OC)C3(C2)CN(C(=O)OC(C)(C)C)C3)cc1 1470253160 IOKGULIDIPZQGY-LJQANCHMSA-N 457.527 2.250 30 10 JEEE CCC(CC)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cn2)CC1)N(C)C 1496661563 DQWXKMQZGMPZOA-SFTDATJTSA-N 479.633 2.189 30 10 JEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 1507563356 GCJQTXHNMPMWOP-NRFANRHFSA-N 475.659 2.459 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H](c1ccsc1)N(C)C 1507644444 IJPJKYOWTZJDSB-OAQYLSRUSA-N 457.567 2.358 30 10 JEEE C#CCN(CC#CC)c1nnc(COc2ccc(F)cc2)n1C[C@H](C)N1CCN(CC)CC1 1507677376 YXRHYXOMTHZSMS-NRFANRHFSA-N 452.578 2.485 30 10 JEEE C#CCN1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2C[C@@H](C(CC)CC)N(C)C)CC1 1507723238 AGHWKEYFJQBPJL-QHCPKHFHSA-N 490.656 2.314 30 10 JEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCOc2ccc(F)c(F)c2)CC1 1507725807 AVDDJTCKFAHJAE-UHFFFAOYSA-N 455.513 2.252 30 10 JEEE C=C(Br)Cn1c([C@H]2CCOC2)nnc1N(C)C1CCN(CCn2cccn2)CC1 1507782745 AIRSFNCXMFHDLN-KRWDZBQOSA-N 464.412 2.488 30 10 JEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](OCc2ccccc2)C1 1507954774 PJRPWQJTMGXQCE-NHCUHLMSSA-N 475.615 2.373 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1508073610 OFFNMWYWMRRKSE-QZTJIDSGSA-N 450.543 2.344 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC(CO)(Cc2ccccc2)CC1 1508087687 DGEIDFMTQSZEMI-NRFANRHFSA-N 453.587 2.296 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2ccc(C)n(C)c2=O)C1 1508120142 ZBHNRWWVIDNOLN-FQEVSTJZSA-N 483.594 2.185 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1508135809 MIQBTLJRNINQOV-UHFFFAOYSA-N 497.625 2.145 30 10 JEEE CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1515312419 CTEOJUIEVFPPBO-INIZCTEOSA-N 479.507 2.280 30 10 JEEE CCOC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1516087502 FKVSEZFZZPPWND-FQEVSTJZSA-N 452.559 2.459 30 10 JEEE C=C[C@@H]1OCCC[C@H]1NC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 1526235575 KRWITFKAMQWSIL-AEFFLSMTSA-N 457.936 2.499 30 10 JEEE C#CCN(c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 1539212681 RBVYATSRVYMOGE-FUHWJXTLSA-N 489.667 2.283 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1Cc1c(F)cccc1OC(F)F)[C@H]1CCS(=O)(=O)C1 1539216099 NPAIBIJJMBVBSI-AWEZNQCLSA-N 492.483 2.151 30 10 JEEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cc2c(cc1OC(F)F)OCO2 1539683424 PQYLWUZMDBKIHM-GFCCVEGCSA-N 473.502 2.431 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(N2CCOCC2)cc1 1539804190 SDMNVMRHOSSBDJ-GOSISDBHSA-N 466.007 2.406 30 10 JEEE C=CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1c(Cl)c(C(F)(F)F)nn1C 1540853042 JINCJKADEBDHSY-UHFFFAOYSA-N 475.903 2.493 30 10 JEEE C=CCn1c(N2CCN(C(=O)CCc3ccc(OC)cc3)CC2)nnc1[C@]1(OCC)CCOC1 1540861367 NXIZOXSEZQHVOG-VWLOTQADSA-N 469.586 2.406 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@]2(O)CCO[C@H]2C)C1 1540883529 AYTPMCPFWZALTJ-OHNRDTAOSA-N 452.353 2.357 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 1540905027 QBDNVYWLKMYPIG-UHFFFAOYSA-N 465.645 2.410 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1C[C@H](F)CN1Cc1cccs1 1541105123 FCIPBIYCVAIBEV-QZWWFDLISA-N 483.639 2.158 30 10 JEEE CC(C)C(=O)NCCn1c([C@H]2CCOC2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1541286013 GOFPIJYWESKPKM-IBGZPJMESA-N 452.559 2.474 30 10 JEEE N#C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCOc2ccc(F)c(F)c2)CCO1 1555992127 HWCWINJECQBQQK-OAHLLOKOSA-N 455.425 2.011 30 10 JEEE C#CCN1CCC[C@@H](NC(=O)C2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)C1 1558329169 LNHPPJHAGMKQES-QGZVFWFLSA-N 457.518 2.320 30 10 JEEE COCCN(CCC#N)C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 1565566046 GIXYGJKLFQLBLI-OAHLLOKOSA-N 458.378 2.238 30 10 JEEE C#CCCCCn1c(Cc2ccccc2OC)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1587773117 ASMKECQZDJAEEE-JOCHJYFZSA-N 464.570 2.448 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1Cc1nc(C)cs1)[C@H]1CCS(=O)(=O)C1 1588039839 FUDIKCCCTWIBDO-SFHVURJKSA-N 452.565 2.257 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H](c1ccco1)N(C)C 1588628504 KFIUXERISPWOIN-FQEVSTJZSA-N 475.553 2.174 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2CC2=CCN(C(=O)OC(C)(C)C)CC2)CC1 1588753019 ZQUWBTJMCBLLHH-FQEVSTJZSA-N 488.633 2.325 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2Cc2cc(C)on2)CC1 1588877240 XZCFLZLYRUHSLU-IBGZPJMESA-N 455.563 2.450 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCCN(C)C2CCCCC2)CC1 1588885603 XTODGUOXCCAJIX-UHFFFAOYSA-N 483.661 2.135 30 10 JEEE C=CC1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H]2COCCO2)CC1 1594241617 WEOLEHXFAOQXLY-RBUKOAKNSA-N 463.579 2.404 30 10 JEEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H]2CCCCCC[C@@H]21 1594813635 VKGKMUMQVHYPSH-AABGKKOBSA-N 467.636 2.363 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCC[C@H](NC(=O)CC)C1 1595805244 MHQLPIMCGSRMFN-FQEVSTJZSA-N 459.616 2.273 30 10 JEEE CCCN(Cc1nc(O)c2sccc2n1)C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 1617938024 AXVVGJOUUWOGCR-CYBMUJFWSA-N 459.553 2.374 30 10 JEEE C#CCNC(=O)CN1CCCN(C(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)CC1 1628146309 DSXMEZKCCWSMFN-UHFFFAOYSA-N 455.990 2.102 30 10 JEEE C=CC1(CC(=O)Nc2cccc(S(=O)(=O)NCCOC)c2)CN(C(=O)OC(C)(C)C)C1 1642054771 XHPBIANBXXDQDK-UHFFFAOYSA-N 453.561 2.363 30 10 JEEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN[C@@H](CO)c2cc(F)ccc2F)CC1 1656510475 ARWHVLFFTYWFEQ-SFHVURJKSA-N 457.437 2.056 30 10 JEEE CN(C)CCN(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccc(OCc2ncnn2C)cc1 1659561431 GORWDWHUYWHEPK-UHFFFAOYSA-N 454.556 2.018 30 10 JEEE N#Cc1ccc(CN2CC[C@H](NC(=O)NC[C@H](O)c3ccccc3Br)C2=O)cc1 1682226378 IFRULSVNERSRMG-OALUTQOASA-N 457.328 2.454 30 10 JEEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1689915276 WJXXDVLOXLNWHL-MRXNPFEDSA-N 460.380 2.500 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1CCCNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1689992460 LAUUSNQGJPDBLC-QGZVFWFLSA-N 453.609 2.018 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(Br)c3)n2CC(C)(C)C(=O)NC)CC1 1690113677 QGBSXDKYWGIDIE-UHFFFAOYSA-N 459.392 2.235 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CC2CCN(CCC)CC2)CC1 1690132707 XENHITHUBWRVGO-UHFFFAOYSA-N 469.659 2.147 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3OCC)n2Cc2snnc2C)CC1 1690133762 SJEIRYMNVWNJGQ-UHFFFAOYSA-N 453.572 2.219 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2Cc2cc(F)ccc2N2CCOCC2)CC1 1690136664 IADSKXFRBXGFIB-UHFFFAOYSA-N 468.577 2.391 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1690671520 XXRRQRQNLLGJRW-AQNXPRMDSA-N 487.649 2.368 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCCCO3)n2CCNS(=O)(=O)c2ccccc2)C1 1690700499 SXOYQWDGXCKXML-ICSRJNTNSA-N 461.588 2.280 30 10 JEEE COCCN1C[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N(C)C2CCC(NC(C)=O)CC2)CC1=O 1698074750 FHHCZUCEASDGLF-RBKXMNCYSA-N 493.612 2.195 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1CCN(CCN(C)C)CC1 1705486453 FKHYYJWLPMFGIP-LJQANCHMSA-N 452.603 2.448 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@](C)(O)[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1705562960 NOKQLQNYEFENFV-WGGBDISSSA-N 455.584 2.241 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1CCCNC(=O)c1cccc(O)c1)[C@@H]1CCS(=O)(=O)C1 1705570430 NGYQWIJALMZURC-LJQANCHMSA-N 487.626 2.019 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@H]2CCCCN2CC)CC1 1705643035 QKRZXKPLTPKYSU-NRFANRHFSA-N 452.603 2.495 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cccnc2OCCOC)CC1 1705646307 VSCLXPUPKNBQEF-UHFFFAOYSA-N 499.575 2.251 30 10 JEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1705663730 OXNULGKRCRVETI-SJORKVTESA-N 462.620 2.116 30 10 JEEE C=C(Br)Cn1c([C@@H](C)CC)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1705680836 IEXGRTIOWAOUJE-ZDUSSCGKSA-N 486.440 2.253 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC[C@](C)(CC)O1 1705716569 OHUVBIYGKKYILL-LQWHRVPQSA-N 455.625 2.361 30 10 JEEE C=C(Cl)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1705751884 ATQJPLMENZXDFA-CALCHBBNSA-N 471.993 2.490 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1C[C@H](C)O[C@H](CC)C1 1705936400 QCRVMEHWFXXGQR-QKLQHJQFSA-N 462.572 2.395 30 10 JEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)c2cccs2)CC1 1705938037 LFBKJIVOBCHFKE-UHFFFAOYSA-N 491.639 2.162 30 10 JEEE CC(C)NC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1706643885 IFBCWRBHMSIIMF-SFHVURJKSA-N 453.547 2.445 30 10 JEEE COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1 1712453926 DGYRUVJZRVIHCR-HSALFYBXSA-N 480.679 2.303 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OCC)CCOC3)n2CCn2cc(C)cn2)c1 1722304738 FHZXBCJVGBGBTJ-RUZDIDTESA-N 477.569 2.192 30 10 JEEE C#CCN(c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@H]1CC[C@H](CO)O1)[C@H]1CCS(=O)(=O)C1 1722358516 CCLWQABEWDFPAP-FDFHNCONSA-N 486.638 2.409 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C)Cc2cccs2)CC1 1722448006 TYGFZLSBWMIJRQ-IEBWSBKVSA-N 489.667 2.086 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(CC)CC)n1CCc1ccc(S(N)(=O)=O)cc1 1722466473 WIYIKNXGSLABCN-HSZRJFAPSA-N 472.615 2.079 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)OC(C)(C)O2 1722467290 PYAVXCKQMLVKFW-OYHNWAKOSA-N 459.572 2.436 30 10 JEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCCN(c2nc(CC)ns2)CC1 1722527445 JHENRWCWPFUSIJ-UHFFFAOYSA-N 474.635 2.237 30 10 JEEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1722699016 QMHSKBZITYHQJB-VWLOTQADSA-N 482.633 2.396 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@H]2CCOC2)C1 1722716652 XJYJBZLCDUPJIG-IEBWSBKVSA-N 461.588 2.013 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)SC 1730749694 FNVJOFSLOVDKOS-VQIMIIECSA-N 463.629 2.456 30 10 JEEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCN(C(C)=O)C2)C[C@@H]1C 1730788338 FQOFCVPIFBIHKB-SIKLNZKXSA-N 465.602 2.232 30 10 JEEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCSCC)[C@@H]1CCS(=O)(=O)C1 1740620391 WFXNYNKYFVNPTJ-GOSISDBHSA-N 496.680 2.119 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@H]1CCN(CC)C1)[C@H]1CCS(=O)(=O)C1 1740623731 AAGCIPRJSANRKV-VXKWHMMOSA-N 455.628 2.032 30 10 JEEE C#CCN(c1nnc(CC2CCCC2)n1CCCN1CCCO[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1740625948 UGGSYMHQRVDXKY-RBBKRZOGSA-N 477.675 2.138 30 10 JEEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1C[C@](C)(O)C1CC1)[C@H]1CCS(=O)(=O)C1 1740627533 IESYGGXIQHKTSC-RDPSFJRHSA-N 472.611 2.262 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCO[C@@H]1C(=C)C 1740632006 ZNQQWJKZSOUHRX-RBBKRZOGSA-N 467.595 2.249 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCOC1CCOCC1 1740652610 HCKQVIMFCZKWMS-UHFFFAOYSA-N 474.565 2.241 30 10 JEEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1740673659 BPLIAQDNEVTQRH-GOSISDBHSA-N 479.610 2.398 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)C)n2Cc2ccc3c(c2)C(=O)NCC3)n1 1740688583 XIBYVOZOKBMACM-UHFFFAOYSA-N 461.570 2.218 30 10 JEEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1740713044 CSEBOSFJIBOEHM-AZUAARDMSA-N 471.627 2.486 30 10 JEEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)c1ccccc1C 1740717248 NCRMHVGFZXYSAY-QUCCMNQESA-N 477.656 2.483 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(F)cc2)n1CCN1CCN(C(C)=O)CC1 1740734377 BHSVMTQBSVMART-XMMPIXPASA-N 454.550 2.152 30 10 JEEE C=C(C)COCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1740792100 FADRBMFHJBXBSZ-UHFFFAOYSA-N 471.512 2.327 30 10 JEEE C=CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@]1(O)CCSC1 1740940994 ZDQMKBYTDZIFRY-QHCPKHFHSA-N 470.599 2.182 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1740954391 LCDQXCBHKDFLKF-UHFFFAOYSA-N 496.616 2.150 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](c2ccc(F)cc2Cl)C1 1740957695 XQYRSJBPQUFKAN-SFHVURJKSA-N 459.913 2.351 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](CN2CCCC[C@@H]2C)C1 1740992416 PNNCRNXKXFBXRU-PWRODBHTSA-N 465.664 2.474 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1740993397 ZXAMETJKWLCPMC-SFHVURJKSA-N 458.563 2.336 30 10 JEEE Cc1nn(C)c(C)c1CN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCS(=O)(=O)C1 1742653339 GIPRQGSXJXZTMO-LJQANCHMSA-N 483.598 2.150 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2Cc2ccc(N3CCOCC3)nc2)c1 1748695100 WUFPBOYDDKBVTE-UHFFFAOYSA-N 489.580 2.151 30 10 JEEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@]1(N(C)C)CCSC1 1748794661 FBSYVZDBYZDYGV-VWLOTQADSA-N 467.687 2.150 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1CCc1cc(F)cc(F)c1)[C@@H]1CCS(=O)(=O)C1 1748812525 VKQFRFYPMLHHDM-LJQANCHMSA-N 459.522 2.431 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccn2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1749127720 ORLYFXMVHSVXQD-REWPJTCUSA-N 467.618 2.312 30 10 JEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC(=O)Nc1cccc(Cl)c1 1749426447 BXSNLSWPFMSYSM-SFHVURJKSA-N 497.021 2.306 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1749683330 PWNBFANIKLXEGJ-DBXWQHBBSA-N 460.623 2.384 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@@](F)(C#N)C1 1749726205 ZRVFKZOFGZWGGA-OAQYLSRUSA-N 479.534 2.014 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2ncccc2C#N)CC1 1749727411 UEHGRDZQCBUIEA-UHFFFAOYSA-N 499.000 2.188 30 10 JEEE N#Cc1cccc(-c2nnc(N3CCC(CNC(=O)C(F)(F)F)CC3)n2CCCn2ccnn2)c1 1750380992 FIOQIBGOYJXDIH-UHFFFAOYSA-N 487.490 2.393 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCN1CCCO[C@H](C)C1 1760110388 CWYRQRRCDJIAQP-RTBURBONSA-N 473.647 2.197 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCc1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1760183804 RLUBLKYGYPBPBU-LJQANCHMSA-N 484.538 2.328 30 10 JEEE C#CCN(c1nnc(-c2ccccc2)n1CC(C)(C)N1CCC(OC)CC1)[C@H]1CCS(=O)(=O)C1 1760184584 KNJUNIMINMSLQN-NRFANRHFSA-N 485.654 2.461 30 10 JEEE C#CCN1CCN(c2nnc(CSc3ccccc3OC)n2C[C@@]2(O)CCSC2)CC1 1760263952 VXFGNYBNLNDFKW-QFIPXVFZSA-N 459.641 2.202 30 10 JEEE C#CCSCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCNC(=O)C1 1760277598 PXEQEBVNZFGPAM-UHFFFAOYSA-N 450.362 2.019 30 10 JEEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1760285928 VRHYPYRACUVUBO-LJQANCHMSA-N 465.583 2.135 30 10 JEEE C=C(Cl)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1760368752 MHTUDBYMQAZAIC-LJQANCHMSA-N 451.936 2.132 30 10 JEEE C=CCCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1760423166 SDHAZCMKFRWMNV-UHFFFAOYSA-N 484.601 2.492 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCCN(CC(F)(F)F)CC1 1760518375 SLVXTZXMGSEHGZ-UHFFFAOYSA-N 452.481 2.330 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1CC[C@@]2(C1)OCc1ccccc12 1760548881 RIOLRDSZGFAPEU-DEOSSOPVSA-N 487.626 2.433 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1760552833 BXHUNTQDBNCMSX-AEFFLSMTSA-N 464.588 2.160 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@@H](C)C(C)(C)C1 1760552935 GOUQOKDFKCBVTO-QGZVFWFLSA-N 470.603 2.394 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(Cc2cccs2)CC1 1760556145 VVPRPTQOVKNZSW-SFHVURJKSA-N 465.645 2.157 30 10 JEEE CC(=O)N1CCN(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](C(F)F)C2)CC1 1760620295 MCENNYHCYHWUGZ-HXUWFJFHSA-N 457.529 2.462 30 10 JEEE CC[C@H](C)NC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(NC(C)=O)CC1 1763944164 GZCCAPFCEZWHRY-KRWDZBQOSA-N 467.574 2.138 30 10 JEEE CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H](c1ccco1)N(C)C 1765012739 GFXWUVSSTXJCQA-WOJBJXKFSA-N 463.542 2.339 30 10 JEEE C=CCN(CC=C)c1nc(NC(=O)c2c(OC)cccc2OC)n([C@@H]2CCS(=O)(=O)C2)n1 1870002323 JYRAUJXNBALAJZ-OAHLLOKOSA-N 461.544 2.086 30 10 JEEE C=CCN(CC=C)c1nc(=NCCN2C(=O)CSC2=O)[nH]c(=Nc2cc(C)cc(C)c2)[nH]1 1871551653 WIFROTUZIFYYTR-UHFFFAOYSA-N 453.572 2.362 30 10 JEEE CN(C)c1ccc(/C=N/n2c(SCC(N)=O)nnc2[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1 1874210226 NVDPEPQTFBJSFG-KXQYEYADSA-N 477.594 2.320 30 10 JEEE CC1(C)OB(c2sncc2C(=O)NCC2CN(C(=O)OCc3ccccc3)C2)OC1(C)C 1900474260 DDGFJLSCNBVRIQ-UHFFFAOYSA-N 457.361 2.441 30 10 JEEE COCCN1C(=O)C(=CNc2c(C#N)c(C)c(C)n2-c2ccc(OC)cc2)C(=O)NC1=S 2040482620 UJYPGZCXVKAOAO-UHFFFAOYSA-N 453.524 2.160 30 10 JEEE CN(C(=O)OCc1ccccc1)C1CN(C(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2247927055 BJEUIPYIEHLTCA-UHFFFAOYSA-N 451.332 2.474 30 10 JEEE C=C(CS(=O)(=O)N=[S@@]1(=O)CC[C@@H](NC(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2247960899 AFPLCERMSHTBKW-IZPCHGGPSA-N 464.415 2.269 30 10 JEEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)[C@@H]2C[C@H]21 2255753829 WLODBRZRPXSIAQ-ZIAGYGMSSA-N 470.422 2.430 30 10 JEEE C[C@@H](CNC(=O)OC(C)(C)C)N(C)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2255933792 SHIYQIJGNTTYLK-ZDUSSCGKSA-N 475.442 2.117 30 10 JEEE C[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)O)c1cscc1B1OC(C)(C)C(C)(C)O1 2256620299 GXGBSNAPVAJMKK-ZENOOKHLSA-N 454.398 2.499 30 10 JEEE Cc1nc(S(=O)(=O)N[C@@H]2CC[C@H]2OCc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)n1C 2267467706 PYQSCZRNRLGLAI-QZTJIDSGSA-N 461.393 2.054 30 10 JEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 2267510705 PPTHUPWURPDQRE-OAHLLOKOSA-N 450.341 2.253 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C[C@H]1O 2267525540 GASHVZQQDBGMRI-FVQBIDKESA-N 466.409 2.441 30 10 JEEE Cc1c(C(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281806322 IPRZEMBMOYYFTM-OAGGEKHMSA-N 460.384 2.155 30 10 JEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CCNC(=O)[C@H]2C[C@@H](B3OC(C)(C)C(C)(C)O3)C2)C1 2281954809 YYUYBQDLERGYNB-IXDOHACOSA-N 486.440 2.399 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(C)C[C@@H]1COCCN1C(=O)OC(C)(C)C 2281968432 DIOULAPRVHJPND-OAHLLOKOSA-N 481.424 2.459 30 10 JEEE Cn1nc(C(=O)N2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)cc1B1OC(C)(C)C(C)(C)O1 2281981440 NQVKQBXPRLEFMT-JKSUJKDBSA-N 460.384 2.048 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1CC(C)(C)CN1C(=O)OC(C)(C)C 2282045045 XZTIUNQNZAAGBY-HNNXBMFYSA-N 462.400 2.485 30 10 JEEE CO[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)N(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2282176613 VKOSUOICQAHZGQ-DLBZAZTESA-N 461.368 2.135 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@H](NS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1(C)C 2282350122 IYHCKKPAUDZSQU-IRXDYDNUSA-N 481.424 2.351 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N[C@@H]2CC(C)(C)[C@H]2OCc2ccccc2)n1 2282505790 JCXBTGMHBBABFW-MOPGFXCFSA-N 475.420 2.382 30 10 JEEE CC(C)(C)OC(=O)N1CCN(CCCNC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)CC1 2282516216 BTRJBVIDIVMXIJ-UHFFFAOYSA-N 480.440 2.115 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)n1 2282552691 MDVMDYMOYLJHEH-IRFCIJBXSA-N 450.392 2.360 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H]1COC[C@@H]1NC(=O)OC(C)(C)C 2282553196 WBYAXDATJJFBDS-IRXDYDNUSA-N 462.352 2.016 30 10 JEEE Cc1nn(C)c(C(=O)N2CC[C@@H](CCNC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2282559371 OWEALBYXYKTLBU-MRXNPFEDSA-N 462.400 2.405 30 10 JEEE Cc1c(C(=O)N2CC(C3(NC(=O)OC(C)(C)C)CC3)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282568877 JJPGCYQPIAUTJA-UHFFFAOYSA-N 460.384 2.157 30 10 JEEE Cn1nc(C(=O)NC[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2(C)C)cc1B1OC(C)(C)C(C)(C)O1 2282615532 ZPWVFQPEFYPXOD-GDBMZVCRSA-N 462.400 2.389 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)[C@@]2(CCOC2)C1 2282629307 UHLLMOMHZVUMFY-FPTDNZKUSA-N 479.408 2.341 30 10 JEEE CC(C)(C)OC(=O)NC[C@H](CNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)C(F)(F)F 2282672180 GDXDERYPFGUTKL-LBPRGKRZSA-N 474.289 2.209 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)[C@H]2CCC[C@@H]21 2282691939 PWWACVKIHRXLPX-PVAVHDDUSA-N 458.368 2.294 30 10 JEEE CO[C@H]1CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2O)C[C@@H]1NC(=O)OC(C)(C)C 2282794111 HFBWKTUADKFZDL-WMZOPIPTSA-N 462.352 2.056 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N1CCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C1 2284069089 LXWPIJCXCUUJPQ-LJQANCHMSA-N 460.380 2.146 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N1CC[C@@H](NC(=O)C(F)(F)F)C[C@H]1C 2285210531 JPWORMQGIYABMA-UKRRQHHQSA-N 455.286 2.361 30 10 JEEE C[C@@H](O)CN(CCNC(=O)OC(C)(C)C)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2285351237 VAIPUGPZRYGIOI-OAHLLOKOSA-N 466.359 2.473 30 10 JEEE COc1ccccc1OCc1nnc(SCC(N)=O)n1N=Cc1ccc2c(c1)OCCO2 2328261498 CHLCFRBHFJBHRL-UHFFFAOYSA-N 455.496 2.097 30 10 JEEE CC1(C)OB(c2sccc2CS(=O)(=O)N[C@@H](CCO)COCc2ccccc2)OC1(C)C 2343597157 VOCZLVMJPPVLEF-IBGZPJMESA-N 481.445 2.435 30 10 JEEE CC(C)(C)OC(=O)N1CC(OCCNC(=O)c2cccc(F)c2B2OC(C)(C)C(C)(C)O2)C1 2362400531 LIMJGYSLBKGGOL-UHFFFAOYSA-N 464.343 2.491 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@]2(C1)C[C@@](C(=O)O)(N1CCN(Cc3ccccc3)[C@H](C#N)C1)CO2 2373505739 VEUBZVAJJWZWII-NIJXNBFTSA-N 470.570 2.320 30 10 JEEE COc1cccc(/C(C)=N/Nc2nc(SCC(=O)Nc3ccc4c(c3)C(=O)NC4=O)n[nH]2)c1 21083626 KDFOWRUMFHKVFM-OPEKNORGSA-N 465.495 2.264 30 10 JEEE O=C(CSc1n[nH]c(N/N=C/c2cc(Br)ccc2O)n1)Nc1nncs1 59016980 RKXMRTYVBBASBY-SYZQJQIISA-N 455.323 2.301 30 10 JEEE COC(=O)c1[nH]c(C)c(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(OC)cc2)c1C 102539448 HPWCNTFPVCHQDS-LAGVDGIJSA-N 497.548 2.181 30 10 JEEE CO/N=[N+](\[O-])CC(=O)N1[C@@H](C)CN(S(=O)(=O)c2ccc(C)cc2)[C@H]1c1cccc([N+](=O)[O-])c1 103936692 XFBCALJFZHWTSH-DOGXUORVSA-N 477.499 2.347 30 10 JEEE CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](Oc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 208073894 WUBVHEXSRLHCFD-MSOLQXFVSA-N 490.410 2.305 30 10 JEEE C=C1C(=O)O[C@H]2C=C(C)[C@@H](OC(C)=O)CC=C(C)C[C@@H](OC(=O)[C@](C)(O)[C@H](C)OC(C)=O)[C@@H]12 253687694 MDEMWAXREYWVBU-NTQWNOGTSA-N 464.511 2.317 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)C[S@@](=O)CC(=O)Nc2ccc(NC(C)=O)cc2)nc1C 586346285 XBYOHFYCOGZCRT-YTTGMZPUSA-N 478.552 2.079 30 10 JEEE CC#CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(CCO)CC(=O)O 757202858 VJXJQPSRIFCUTA-JOCHJYFZSA-N 450.491 2.213 30 10 JEEE C=CCn1nc(C)c(C=NNc2nnc(SCC(=O)Nc3cccc(NC(C)=O)c3)n2N)c1C 1084501098 COJWRBYYSUZBIL-UHFFFAOYSA-N 482.574 2.126 30 10 JEEE COCCn1cc(C=NNc2nc(SCC(=O)NCCc3ccccc3Cl)n[nH]2)cn1 1084557556 RAAUBDJVISCHPH-UHFFFAOYSA-N 462.967 2.198 30 10 JEEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(c2ccc(F)cc2Cl)CC1 1137610660 CCBIMNNZGBADLB-UHFFFAOYSA-N 450.923 2.257 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@H](OCC)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1286389906 SJJSERZEDSIRES-RTWAWAEBSA-N 468.583 2.083 30 10 JEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CCCN1C(=O)OC(C)(C)C 1286462781 VVEGHKYJQUMJHF-QGZVFWFLSA-N 486.573 2.491 30 10 JEEE C#CCN1CCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@]2(C)CN(C)C2=O)CC1 1286483888 CHLQVZFVFUJKDP-QFIPXVFZSA-N 459.019 2.457 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1286495679 BXDSOSHTAHLIQI-INIZCTEOSA-N 471.587 2.395 30 10 JEEE C#CCSCCn1c(-c2cn(C)c3ccccc23)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1286503660 JLDGFPJLXTYGQS-OXQOHEQNSA-N 453.568 2.163 30 10 JEEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCN(c2ncc(F)cn2)CC1 1286534667 BVYQFRKPMKZIGR-AWEZNQCLSA-N 470.347 2.166 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1COCCO1 1286581165 LYEYNGBQCDKIOA-ROUUACIJSA-N 451.568 2.404 30 10 JEEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2ccccc2F)C1 1286601339 UIXIHDWGBVKMEO-LPHOPBHVSA-N 467.567 2.198 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCOC2)n1CCN1CCN(C(C)=O)CC1 1286740763 WHESWWSRPHIYAF-JOCHJYFZSA-N 468.602 2.147 30 10 JEEE C#CCNC(=O)CN1CCCN(C(=O)c2cc(-c3cnn(C)c3)nc3c(C)c(C)ccc23)CC1 1292889876 NCEAOBRFRYTMNR-UHFFFAOYSA-N 458.566 2.149 30 10 JEEE CCN(c1nnc(-c2cccc(C#N)c2)n1CCCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1295173427 CKCUHLHBMOZFTA-FQEVSTJZSA-N 453.572 2.425 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2C[C@@H]2NC(=O)CC2(C)C)c1 1300336568 JTYMVTLCTYDYOI-MOPGFXCFSA-N 450.543 2.101 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CC1(OC)CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1300496974 WTUYLKKRSKDBRD-YTCBPCPPSA-N 464.632 2.394 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@](C)(O)c1ccco1)[C@H]1CCS(=O)(=O)C1 1300503238 BTEKDLFCVCQTJA-CYFREDJKSA-N 484.578 2.293 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1CC[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1300504607 OSQPVFDAEHGFFZ-UXHICEINSA-N 458.584 2.219 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1Cc1ccccc1CN1CCC(O)CC1 1300575573 ZGVKKDXFCOIFMO-UHFFFAOYSA-N 455.566 2.203 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ccsc1 1300657586 NYCMWIBXAZFTAU-UHFFFAOYSA-N 459.597 2.391 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(C)(C)CN(C)C 1300671175 DMOPVWIJVCNCBN-LJQANCHMSA-N 478.638 2.260 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1CCC(=O)N1CCCCC1 1300672046 ULAWQAZHYKGTFR-NRFANRHFSA-N 453.543 2.279 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3CC)n2CC2([S@](C)=O)CCC2)CC1 1300709935 LTBIXOIXNPBJDB-YTTGMZPUSA-N 455.628 2.476 30 10 JEEE C#CCSCCn1c(CCOc2ccccc2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1300767648 CVORKKQAJKRUQI-HXUWFJFHSA-N 489.667 2.270 30 10 JEEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1csc(COC)n1 1301278324 LCOCVRPHWLAEKU-UHFFFAOYSA-N 462.601 2.469 30 10 JEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 1301508105 DQPLLFOYQCQCSR-UHFFFAOYSA-N 475.619 2.430 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H]2CCCOC2)nnc1N1CCN(CCOC)C(=O)C1 1301531398 LLXBPPGKSJLECH-HXUWFJFHSA-N 455.559 2.080 30 10 JEEE COCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 1301830317 HWWWEFGWKAFMMG-FQEVSTJZSA-N 458.588 2.294 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1358882200 VETSQNLQSXSGMV-FRKCRFBYSA-N 464.526 2.337 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ccc(NC(C)=O)nc1 1358890467 PWGLVDBJXVDEPL-QGZVFWFLSA-N 459.558 2.312 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1Cc1cccc(N2CCOCC2)n1 1358897127 TXSUGYFXIFFNRW-QGZVFWFLSA-N 465.583 2.007 30 10 JEEE C#CCCCn1c(Cc2ccccn2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 1358931537 FECCDCQQLOWWEY-GMAHTHKFSA-N 463.630 2.494 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1Cc1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 1358957619 XDZMUYJWRLTWDH-VQIMIIECSA-N 489.001 2.480 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Cl)n1CCc1noc(CC)n1)[C@H]1CCS(=O)(=O)C1 1358959736 OXOUVGVSYZMTJP-HNNXBMFYSA-N 474.974 2.413 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1cccc(CSC)c1)[C@H]1CCS(=O)(=O)C1 1358964418 YVFQKINMJPPIGV-PMACEKPBSA-N 460.625 2.320 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CCC1CCN(CC)CC1)[C@@H]1CCS(=O)(=O)C1 1358964714 FRYLRIFTXZZBQB-JOCHJYFZSA-N 470.643 2.013 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H](C)Oc2ccccc2OC)CC1 1359031055 ONUXQGHSYSPGID-CJFMBICVSA-N 469.586 2.162 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCc2ccc(C)cc2C)CC1 1359040550 ZURXWLVGMVPIDF-UHFFFAOYSA-N 450.587 2.242 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2cccc(C(C)(C)O)c2)CC1 1359044698 MCVMIFGICCZMEZ-OAQYLSRUSA-N 465.598 2.414 30 10 JEEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 1359207990 CGFGZGUAOLAIRM-QZTJIDSGSA-N 475.619 2.413 30 10 JEEE C=CCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](NC(C)=O)C1 1359223300 GVYKGBNLCKWDLT-IBGZPJMESA-N 461.588 2.046 30 10 JEEE C=CCN(CCOC)c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1359281214 SDMDCLXSCGBAKP-FPOVZHCZSA-N 474.631 2.492 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(C(=O)c2cccc(Cl)c2)CC1 1359297308 MILFFTICDUZTNH-UHFFFAOYSA-N 467.961 2.202 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Br)c3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1359313113 GXIJYCNJGONLGS-SJORKVTESA-N 489.374 2.477 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCO3)n2CCOc2ccc(S(C)(=O)=O)cc2)C1 1359325279 BKWYUMSFZNEXNP-UYAOXDASSA-N 462.572 2.393 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CC[C@H](S(C)(=O)=O)C1 1359328449 DMZOZIONJZOARW-KRWDZBQOSA-N 498.696 2.500 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCCC[C@@H](SC)C1 1359330935 HHTNPPZFPAELGW-OAHLLOKOSA-N 467.617 2.329 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(C)C[C@@H]1CN(CC)c2ccccc2O1 1359331199 QJKPMKIOMGVTMQ-LJQANCHMSA-N 485.614 2.003 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCC(S(=O)(=O)CC)CC1 1359334813 RGUKHAHVRMXWIS-UHFFFAOYSA-N 458.650 2.015 30 10 JEEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1Cc2ccccc2O[C@H](C)C1 1359343156 NALIQUWNWYSNNM-YLJYHZDGSA-N 493.655 2.318 30 10 JEEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1507571060 ZOUQXUORTKIAFH-UHFFFAOYSA-N 480.661 2.468 30 10 JEEE C#CCN(c1nnc(C2CCCC2)n1CCNc1nccc(C(F)(F)F)n1)[C@@H]1CCS(=O)(=O)C1 1507631572 FMLKDLNVIZOXAQ-MRXNPFEDSA-N 497.547 2.483 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1CCC[C@@H]1OC)[C@H]1CCS(=O)(=O)C1 1507634408 NFHFUJMZLGYHIC-JBACZVJFSA-N 460.575 2.450 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@H](CC)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1507638484 FVRGXDSEOLGFEQ-LEWJYISDSA-N 489.617 2.497 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C 1507669626 OMZHTNIBOHNVCC-OALUTQOASA-N 477.631 2.192 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCCC(F)(F)C1 1507689936 NVXKLSVGDADMSM-SJORKVTESA-N 459.563 2.286 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(C)nc1 1507700523 RYMBUCDZLKCEHV-QGZVFWFLSA-N 456.547 2.419 30 10 JEEE C#CCN(CCOC)c1nnc(COc2ccc(Br)cc2)n1Cc1ccn(C)n1 1507714578 RTOAJLPEQGPGSY-UHFFFAOYSA-N 459.348 2.487 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCSCC=C)CC1 1507734850 ZZAZQRPWBCHXRI-UHFFFAOYSA-N 487.651 2.234 30 10 JEEE C=C1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1507892778 ZLFUHDSSYIBWDL-GOSISDBHSA-N 461.588 2.304 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1508133590 KLKLHHSPCVVCBM-FQEVSTJZSA-N 485.031 2.214 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1508135817 MNGAUBQXDPIXLK-GOSISDBHSA-N 493.033 2.337 30 10 JEEE CC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)N2CCN(CC)CC2)CCN1CCOC 1514137154 DLKIBXWCEZWJAP-DHLKQENFSA-N 494.688 2.390 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2cn3cc(Br)ncc3n2)ccc1F 1529355797 SLOHTQFGVDZAQH-UHFFFAOYSA-N 454.281 2.348 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(C(=O)N(C)C)CCCC1 1538982274 CPPMENJNFZOCSH-GOSISDBHSA-N 486.642 2.302 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CC[C@@H](C(F)F)N1CCOCC1 1539003472 DEFJEPHWVWNXSK-YJBOKZPZSA-N 471.512 2.408 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C)CN2CCCC2)c1 1539042360 FIIXOMMQVYAAJU-NQIIRXRSSA-N 463.586 2.017 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)(C)C)n2CCC(=O)N2CCOCC2)c1 1539043073 MYZNAMSAGBFIIX-UHFFFAOYSA-N 466.586 2.172 30 10 JEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN([C@H](C)c2nccs2)CC1 1539053210 NAXKBUVKPMEMIA-IAGOWNOFSA-N 465.649 2.032 30 10 JEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1539072657 TXWGVEUFZTYTOC-KSZLIROESA-N 465.620 2.333 30 10 JEEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1539078751 GOUJHQXBSOVMCT-HYBUGGRVSA-N 480.661 2.322 30 10 JEEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1Cc1ccc2c(c1)C(=O)NCC2 1539155561 WCXJNKADEDQCEU-UHFFFAOYSA-N 453.344 2.450 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1cccc(C(OC)OC)c1)[C@H]1CCS(=O)(=O)C1 1539216160 OGYFKCXHTHXBMJ-NRFANRHFSA-N 481.578 2.307 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc3ccccc3n2)n1CCN1CCN(C(C)=O)CC1 1539319577 BUOUDZBQBGCBCC-UHFFFAOYSA-N 455.566 2.120 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@]1(O)CCOC1 1539323146 DCPOLYIGZOABSM-YADARESESA-N 457.575 2.007 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2C[C@@]2(C)COCCO2)CC1 1539430177 HLBOVVIWXZEASK-CPJSRVTESA-N 469.586 2.378 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2CC(=O)NCC=C)CC1 1539438125 OXHSFVAYEXRBRI-UHFFFAOYSA-N 477.794 2.418 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CC[C@@H](C)N2CCCCC2)CC1 1539484330 LFDUGMCCTLLRNW-OAQYLSRUSA-N 463.630 2.494 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc2c(cc1OC)C[C@H](C)O2 1540201398 SLPBZIZCHZGDMD-IRXDYDNUSA-N 476.599 2.199 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC([C@H](O)c2ccc(F)cc2)CC1 1540901987 WZGALKIMSOEIEU-OAQYLSRUSA-N 488.589 2.369 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1540904081 IWAVWLFZQIBIFC-UHFFFAOYSA-N 486.642 2.094 30 10 JEEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCN(C)C1CCCCC1 1541803363 GXLIFEHDEIKRSV-QUCCMNQESA-N 481.667 2.004 30 10 JEEE C[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1)N(C)C(=O)OC(C)(C)C 1541837685 FTNUMUNSXFKEKZ-INIZCTEOSA-N 453.547 2.398 30 10 JEEE CCCCN1CCCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CC#N 1547041518 AYEZLMYVOLRSFK-ZCNNSNEGSA-N 481.667 2.004 30 10 JEEE COCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1555421075 GQHZHCGPSAOIRD-BWKNWUBXSA-N 468.602 2.153 30 10 JEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1587822875 DLWBXMYJWYOEJF-WOJBJXKFSA-N 457.600 2.472 30 10 JEEE C#CCCCn1c(-c2ccccc2Br)nnc1N1CCN(CC(=O)NCC)CC1 1587834619 CTSVRVIVAMBSNR-UHFFFAOYSA-N 459.392 2.379 30 10 JEEE C#CCN(c1nnc([C@H](C)OCCOC)n1Cc1sccc1C)[C@@H]1CCS(=O)(=O)C1 1588034954 NTLMIASVDSSEIS-DLBZAZTESA-N 452.602 2.047 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1589731507 NKXPVJOEJBZLSG-SFHVURJKSA-N 455.588 2.499 30 10 JEEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)CCC2CCCC2)CC1 1593807080 IASPANFYSIAVAJ-MRXNPFEDSA-N 473.043 2.260 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1NC(=O)CC1(C)C 1595076069 SAHMASPOQABDKN-RTBURBONSA-N 452.559 2.345 30 10 JEEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1595476094 HUKKALDHKZTHAT-PZJWPPBQSA-N 485.596 2.499 30 10 JEEE C=CCOc1ccc(Cn2c(CC)nnc2N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)cc1 1595640169 UGMJENGAZLRPMY-OAQYLSRUSA-N 475.615 2.084 30 10 JEEE COCC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCCC2)CC1 1619553209 GSUBPUXTEYMNGQ-UHFFFAOYSA-N 451.575 2.034 30 10 JEEE C=CCn1c(S[C@@H](C)C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)nnc1-c1cccc(OC)c1 1640969978 CTJGARJGROHYNB-GOEBONIOSA-N 450.586 2.266 30 10 JEEE C#CCCN(CCOC)C(=O)c1ccc(NC(=O)C[C@H]2SC(N3CCCC3)=NC2=O)cc1 1642186690 MXJDQGPKMPEZLF-LJQANCHMSA-N 456.568 2.221 30 10 JEEE COc1ncc(NC(=O)c2sccc2S(=O)(=O)N2CCCC[C@@H]2CCO)cc1C#N 1651637639 FSWKVJFPZXCTIX-OAHLLOKOSA-N 450.542 2.201 30 10 JEEE N#Cc1ccc(S(=O)(=O)N2CCN(C[C@@H](O)Cc3ccc(C(F)(F)F)cc3)CC2)cc1 1657749120 BBKWKYPQZGOOIM-IBGZPJMESA-N 453.486 2.487 30 10 JEEE C#Cc1cccc(NC(=O)CNC(=O)Nc2cc(N3CCOCC3)c(Br)cn2)c1 1662679258 RDOWNWTTYPNHSN-UHFFFAOYSA-N 458.316 2.422 30 10 JEEE C#CCCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCO[C@H](C(=O)NC)C1 1689878912 YQKZCTJLQGESPH-SFHVURJKSA-N 476.375 2.471 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1689982745 SWPSCDGXUOPHSH-FQEVSTJZSA-N 483.554 2.075 30 10 JEEE C#CCN(CCOC)c1nnc(COc2ccc(F)cc2)n1C[C@H]1CCCCS1(=O)=O 1690108194 RSLRWLMZQJEEDM-LJQANCHMSA-N 450.536 2.050 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@@](C)(O)c2cccc(Cl)c2)CC1 1690111872 LGQQOFJHAORYEI-WZONZLPQSA-N 461.994 2.318 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2CCn2cc(C)cn2)CC1 1690113885 XDSHLTDHKQRFEK-UHFFFAOYSA-N 457.380 2.006 30 10 JEEE C#CCN1CCN(c2nnc(CCCc3ccccc3)n2CC2(S(C)(=O)=O)CCC2)CC1 1690130474 GWIRHOVZJUUUAZ-UHFFFAOYSA-N 455.628 2.176 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H]2C[C@H](C)O[C@H](C)C2)CC1 1690138263 XEGPIRNVKNGWKA-SBZFUYPRSA-N 487.645 2.488 30 10 JEEE C#CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1690166165 WVANDTSIUVKATA-SFHVURJKSA-N 468.627 2.109 30 10 JEEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1690179258 SHKSHKXNGZGRHV-OAQYLSRUSA-N 451.600 2.349 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1690247410 AKKKTLHFJFXRCK-LQBOVUBWSA-N 477.606 2.459 30 10 JEEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(O)CCN(C(C)C)CC1 1690619823 FFCQESLPIHFAIB-UHFFFAOYSA-N 495.628 2.066 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1C[C@H](C)O[C@H](C)C1 1690669169 WHKXPMKROCQTTR-CALCHBBNSA-N 465.558 2.152 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1690671523 XXRRQRQNLLGJRW-ZCNNSNEGSA-N 487.649 2.368 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)c2ccsc2)CC1 1690676338 WXVRGSVASJKUDV-UHFFFAOYSA-N 491.577 2.055 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1CCC(N2CCCC2=O)CC1 1690677080 MHYKHAWCUXLVSU-UHFFFAOYSA-N 484.626 2.472 30 10 JEEE CC(C)[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(S(C)(=O)=O)CC1 1691567920 HIYRAEJBLNNEJK-QFIPXVFZSA-N 461.588 2.149 30 10 JEEE Cc1nnc([C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCC(=O)NC(C)C)CCO2)o1 1693440549 BENKKTADXPONBF-GOSISDBHSA-N 450.503 2.001 30 10 JEEE CN(C)[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1)C1CC1 1696600959 AIIXRLWXFHRKSV-FGZHOGPDSA-N 486.642 2.472 30 10 JEEE CN1CC[C@@](O)(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H](OCC(F)(F)F)C2)C1 1696874942 AGIWOXRRFMRTJD-NQIIRXRSSA-N 464.492 2.431 30 10 JEEE C#CCCCCn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1705520833 HWCCHLBXRNTQNK-UHFFFAOYSA-N 482.560 2.071 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1CCCn1cccn1)[C@H]1CCS(=O)(=O)C1 1705560435 GVHKADVVVDNFKL-SFHVURJKSA-N 490.536 2.460 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC[C@]1(O)C[C@H]2CC[C@H]1C2 1705576130 GZGVDXOZUXJINJ-WXVUKLJWSA-N 452.580 2.363 30 10 JEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC(NC(=O)c2cc(C)oc2C)CC1 1705652536 CUPSZLRIHSUINC-UHFFFAOYSA-N 484.626 2.489 30 10 JEEE C#CCSCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCCN(S(C)(=O)=O)CC1 1705653325 FEHNVDUGSGDTTE-QGZVFWFLSA-N 481.619 2.395 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(OC)CC1 1705696870 IRQJUQJJQHSFJJ-TWFHAPMSSA-N 455.625 2.265 30 10 JEEE C=C(C)COCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1705732837 DGCSTPVAUAELSW-GOSISDBHSA-N 494.390 2.260 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2sccc2C)CC1 1705769495 UPHGMQCHMJIESO-QGZVFWFLSA-N 451.618 2.380 30 10 JEEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1705825552 WTMDWMHUODFKJB-SBUREZEXSA-N 460.579 2.210 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCC 1705860712 NONDZKMCSXVDQG-HXUWFJFHSA-N 458.588 2.475 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(C)(C)CC1 1705896799 YRRMBWKPYWFFNO-UHFFFAOYSA-N 460.604 2.124 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1705906002 OHAZCHXMDQOVDI-KRWDZBQOSA-N 455.563 2.012 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1705907888 AVLGAJYQVPXSAD-UHFFFAOYSA-N 499.635 2.293 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1C[C@@]1(C)COCCO1)[C@@H]1CCS(=O)(=O)C1 1722361217 YBGYSCOFLVMVGI-NQIIRXRSSA-N 464.975 2.031 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1oc2ccccc2c1C 1722397890 WJXMCUVUBADLEX-QFIPXVFZSA-N 481.578 2.177 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(S(C)(=O)=O)CC1 1722399639 DQTCTOCBBIVZQO-LJQANCHMSA-N 489.642 2.433 30 10 JEEE C#CCSCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC(=O)N(C)[C@H](C)C1 1722460083 VGRFPKUGEQLINO-MSOLQXFVSA-N 476.647 2.426 30 10 JEEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1722528159 WHFZHWJWWHZRJQ-HNNXBMFYSA-N 481.479 2.023 30 10 JEEE C[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@H](C)CC#N)N1CCN(c2ccccc2)CC1 1723831873 GRYYJKUNQOZKGQ-SFHLNBCPSA-N 450.591 2.178 30 10 JEEE COCCN(CC(C)C)c1nnc(-c2cccc(C#N)c2)n1CCN1CCN(C(C)=O)CC1 1730746473 AWEQEQZGAUIQEG-UHFFFAOYSA-N 453.591 2.090 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccsc3)n2CCC(=O)N(C)C)c1 1740564744 WHFDKNGDOBBJPB-UHFFFAOYSA-N 450.568 2.465 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1Cc1ccccc1 1740592046 SLHRULVAYNMTCX-SFTDATJTSA-N 457.600 2.236 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCCN1CC)[C@@H]1CCS(=O)(=O)C1 1740618887 CULLZDQSBKGKSN-ZWKOTPCHSA-N 463.007 2.105 30 10 JEEE C#CCN(c1nnc(-c2ccc3ccccc3n2)n1C[C@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1740619584 KLJADFDUQFKUNB-PKOBYXMFSA-N 452.584 2.070 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1CC(C)(C)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 1740622071 SZBPMHKUBWEGJS-FQEVSTJZSA-N 456.616 2.231 30 10 JEEE C#CCN(c1nnc([C@@H]2COc3ccccc3O2)n1CC(C)(C)CN(C)C)[C@H]1CCS(=O)(=O)C1 1740627179 OOLITFVZQRPDGL-RXVVDRJESA-N 487.626 2.005 30 10 JEEE C#CCN(c1nnc([C@H]2COc3ccccc3O2)n1CCN(CC)CCC)[C@@H]1CCS(=O)(=O)C1 1740628722 ZVKPYVQVJLLPNJ-DENIHFKCSA-N 487.626 2.149 30 10 JEEE C#CCN(CCOC)c1nnc(COc2ccc(C)c(C)c2)n1C[C@H]1CCCS(=O)(=O)C1 1740688482 QSDIZQSSLHIXHS-HXUWFJFHSA-N 460.600 2.385 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccccc3F)n2CC2CCN(CCN(C)C)CC2)CC1 1740693945 RQOYFLPJGKOQSO-UHFFFAOYSA-N 453.610 2.113 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccc(C(C)(F)F)c2)CC1 1740705038 BCOGGIMKNAOHNM-IBGZPJMESA-N 470.524 2.355 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CC(C)(C)CN(C)C)CC1 1740707368 ZKVLOPYORSEYMA-UHFFFAOYSA-N 457.648 2.187 30 10 JEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2c(F)ccc(F)c2C1 1740709260 LGDIRQXPVOXMPW-ZDUSSCGKSA-N 455.556 2.096 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cnn(Cc2ccccc2)c1 1740716853 BOLBPDXXERWWHZ-OAQYLSRUSA-N 484.651 2.428 30 10 JEEE C#CCSCCn1c(COc2ccc(F)cc2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1740721445 JFBPAOCKQVAWHY-UHFFFAOYSA-N 495.584 2.183 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nc(C(C)(C)C)cs1 1740732307 YMVQMKIHAPLLKG-OPAMFIHVSA-N 492.671 2.405 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccnc2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1740758488 XYBZYLUNUMXWQL-RLLQIKCJSA-N 460.604 2.087 30 10 JEEE C=CCCCn1c(-c2cccc(C)n2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1740875203 VVDMOACFSRZWIE-UHFFFAOYSA-N 470.603 2.168 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(Cl)c(F)c1 1740990893 IZMKJUFURDRESU-INIZCTEOSA-N 455.943 2.259 30 10 JEEE CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)CNC(=O)OC(C)(C)C)CC1 1748282145 DHXXDAHERCSKOX-KRWDZBQOSA-N 482.589 2.439 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN1C(=O)OC(C)(C)C 1748672806 XVXYOXPQCPYEGX-YESZJQIVSA-N 451.593 2.038 30 10 JEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](OC(C)(C)C)C1 1748719167 VSRSXFRTCJHCFT-RBUKOAKNSA-N 467.636 2.198 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1748804318 FSQRCHRSBQVPAR-UYAOXDASSA-N 475.590 2.280 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1Cc1cc2c(cc1OC)C[C@@H](C)O2)[C@H]1CCS(=O)(=O)C1 1748817198 GMLXHHRKMBDPOU-XLIONFOSSA-N 472.611 2.484 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCCc1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 1748819161 LRGXIMYZPSRMAM-OAQYLSRUSA-N 470.574 2.001 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCCN2CCN(CC)CC2)CC1 1748979561 FHCXVCOWIBKKMZ-UHFFFAOYSA-N 480.617 2.026 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3CC)n2CCS(=O)(=O)C(C)(C)C)CC1 1749000382 USPJNJXMJPGLIE-UHFFFAOYSA-N 473.643 2.388 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCO[C@H]2CCCC[C@H]2C)CC1 1749001131 JNZSZJLORYIVHH-CTNGQTDRSA-N 493.612 2.487 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](NC(=O)CCC)C1 1749115028 KNHBDYMXNDISBB-ZJOUEHCJSA-N 458.607 2.380 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(OC)c(O)c1 1749118790 JOBDTISMDLUSMF-MDYRTPRTSA-N 479.603 2.220 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N(C)CCS(C)(=O)=O 1749135074 CKHABVLDFDYSDW-OXJNMPFZSA-N 452.552 2.458 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1ccc(COC)o1 1749268468 AUCIKIVCTBYKGF-WMZOPIPTSA-N 485.994 2.444 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)c2ncc(C)s2)CC1 1749303704 NMPFVRMXHUXQCW-NVXWUHKLSA-N 466.633 2.336 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nc(C(C)(C)C)cs1 1749600330 WCHHIZKZAVALMF-MRXNPFEDSA-N 498.675 2.052 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1749652568 OWVURSQRVZANTH-QGZVFWFLSA-N 488.390 2.050 30 10 JEEE C=CCNC(=O)Cn1c(N2C[C@@H]3CCCN3C[C@H]2C)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1749681774 ILXICKJISMUEFJ-YRXWBPOGSA-N 473.622 2.024 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC(NC(=O)c2ccccc2)CC1 1749729479 LDKZKEVXFSMDPA-UHFFFAOYSA-N 480.594 2.340 30 10 JEEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)C(C)(C)C)C[C@@]2(CCOC2)O1 1752311765 FYDGULONAWHDJV-MZNJEOGPSA-N 452.559 2.363 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)CN2CCCC2)c1 1760128602 NHANNOBAWFXJCB-NRFANRHFSA-N 477.613 2.407 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccccc2Br)n1Cc1nnc2n1CCC2 1760245607 JMGOIMBCXAPFPV-UHFFFAOYSA-N 456.348 2.380 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccccc2COCC)CC1 1760256234 GKALUZBSELRZIW-VWLOTQADSA-N 453.587 2.270 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CCCOC[C@@H]2CCCO2)CC1 1760266638 HDSJLTFEUMTYGW-FQEVSTJZSA-N 455.559 2.398 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C(C)C)N2CCOCC2)CC1 1760267321 ZIFAGVUAPRBVHW-XMMPIXPASA-N 489.624 2.139 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)CC1 1760271574 CMHUOBXFQVJUAE-QFIPXVFZSA-N 494.615 2.460 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@]2(O)CCOC2)CC1 1760402596 OARXMYWTTWPCRH-MBSDFSHPSA-N 463.579 2.140 30 10 JEEE C=CC[C@H](Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)c1ccccc1 1760416334 ARQCQUMSJBNCCK-WOJBJXKFSA-N 457.600 2.497 30 10 JEEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCSCC1 1760464082 YOFNLKLJMLDUSL-KRWDZBQOSA-N 452.625 2.258 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC(=O)N2CCOCC2)C1 1760537299 MQURNDPJYNQGIM-MSOLQXFVSA-N 459.522 2.197 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1760556986 WGIKSOXVTHCIGP-UHFFFAOYSA-N 497.581 2.100 30 10 JEEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(Cn2ccnn2)CC1 1760558904 FAOFVUDRVPIIAB-UHFFFAOYSA-N 453.576 2.353 30 10 JEEE C=CCSCCn1c(COc2ccccc2OC)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1760569734 YVUDZMFYVPLWRK-KRWDZBQOSA-N 458.588 2.341 30 10 JEEE CCc1ccccc1OCc1nnc(N2CCC(C#N)CC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1762653641 ARXBOSXFXNPVPW-LJQANCHMSA-N 472.615 2.441 30 10 JEEE CCN1CCN([C@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCOC(C)(C)C2)CC1 1765505348 AISFQBGSGYLJTK-HXUWFJFHSA-N 467.618 2.370 30 10 JEEE COc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1770518169 FRWVMGPMLUMYRL-SJORKVTESA-N 480.491 2.479 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1772660423 VSDKHJSNPQFVGH-UHFFFAOYSA-N 495.609 2.345 30 10 JEEE CCC[C@@H](NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1)C(=O)N1CCN(C(C)=O)CC1 1868783703 UHPTZKURKRBNNF-UXHICEINSA-N 459.616 2.000 30 10 JEEE CCCC[C@H](NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1)C(=O)N1CCC(C(N)=O)CC1 1868794252 ALMHWCSLOBUITR-PMACEKPBSA-N 473.643 2.424 30 10 JEEE C=CCn1cc(OCC(=O)Nc2ccc(C(=O)OC(C)C)cc2)c(=O)cc1CSc1nnnn1C 1870245400 LWIOWCMRRIIZDO-UHFFFAOYSA-N 498.565 2.433 30 10 JEEE COc1ccc(N2C[C@H](c3nnc(SCC(N)=O)n3/N=C/c3ccccc3[N+](=O)[O-])CC2=O)cc1 1874199065 DNNIBONTOPZAGC-SWKNLOBNSA-N 495.521 2.175 30 10 JEEE CC(C)N1CCN(CC#CCOC2CCN(S(=O)(=O)c3ccc(F)c(F)c3F)CC2)CC1 1890495138 UDTYZUUAKJBRBO-UHFFFAOYSA-N 473.561 2.303 30 10 JEEE C#CCN(C(=O)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1)C1CCN(C(=O)OC(C)(C)C)CC1 2076777835 HDDGMDMDHHMKOK-HSZRJFAPSA-N 451.564 2.220 30 10 JEEE CC(C)(C)OC(=O)N1[C@@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)COCC1(C)C 2180981146 QJWQAOXHYRZZRR-OAHLLOKOSA-N 462.356 2.129 30 10 JEEE Cc1c(C(=O)N[C@H]2C[C@@H](NC(=O)OCc3ccccc3)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2255823187 SFZHOHAWUGWJHB-HDICACEKSA-N 468.363 2.215 30 10 JEEE CN(C[C@@H]1COCCN1C(=O)OC(C)(C)C)C(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2267000686 AXYVTMUGLFKFAD-CQSZACIVSA-N 467.397 2.150 30 10 JEEE COC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2267147865 USPJUNCFSAGMIY-CQSZACIVSA-N 467.397 2.150 30 10 JEEE CC(C)(C)OC(=O)N1CCCO[C@@H](CNC(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)C1 2267187247 VHMMITWTIKORDR-HNNXBMFYSA-N 450.341 2.335 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]1NS(=O)(=O)Cc1ccccc1B1OC(C)(C)C(C)(C)O1 2267710054 MYYRJJANBBZLOL-MSOLQXFVSA-N 466.409 2.461 30 10 JEEE CC(C)(C)OC(=O)NC[C@]1(O)C[C@H](C(=O)NCc2sccc2B2OC(C)(C)C(C)(C)O2)C1 2268654833 FBASEWFMUJKGKD-CAJLXGCNSA-N 466.409 2.329 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@](C)(CNC(=O)OC(C)(C)C)C1CC1 2281998876 AAFPNJAMBWFURQ-HSZRJFAPSA-N 462.400 2.451 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC[C@@H](NC(=O)OC(C)(C)C)C(F)(F)F 2282037976 CBHPVDDYSCLVCK-CYBMUJFWSA-N 476.305 2.295 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2C[C@H](CNC(=O)OC(C)(C)C)C2(C)C)n1 2282047491 YWCUVQZGHJZWQH-ZBFHGGJFSA-N 462.400 2.389 30 10 JEEE Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2O)cc1B1OC(C)(C)C(C)(C)O1 2282132751 TZTVOIPVAAOEGI-MOPGFXCFSA-N 460.380 2.394 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](NC(=O)c2ccc(F)cc2B2OC(C)(C)C(C)(C)O2)C1 2282405874 CDCUKFFYHCMLCJ-ROUUACIJSA-N 464.343 2.225 30 10 JEEE CN([C@@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2282415971 OOYJMLLRSDCSGT-REPLKXPHSA-N 478.420 2.472 30 10 JEEE C[C@@H]1C[C@H](CNC(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CN(C(=O)OC(C)(C)C)C1 2282536158 YUESKBHORMTCGS-HZPDHXFCSA-N 462.400 2.342 30 10 JEEE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1N(C)C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2282567966 VNNZCRMDRFWJOA-NVXWUHKLSA-N 462.400 2.437 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)C[C@@]12CCOC2 2282632043 GAUYJXYHOVGEFZ-IQMFZBJNSA-N 462.352 2.477 30 10 JEEE CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1CNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2282686304 QVMKGXTUSGCRMX-CYBMUJFWSA-N 468.310 2.150 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@@]1(C)CN(C(=O)OC(C)(C)C)CCO1 2282688760 YUKUSRDUDBMZJG-QHCPKHFHSA-N 463.384 2.080 30 10 JEEE CC(C)(C)OC(=O)N1CC2(C1)CN(S(=O)(=O)c1ccc(F)cc1B1OC(C)(C)C(C)(C)O1)C2 2282838532 PRESCXKZDPAMCS-UHFFFAOYSA-N 482.383 2.366 30 10 JEEE C[C@@H]1C[C@@H](NC(=O)C(F)(F)F)CCN1S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282875058 JWNFWAXEZOWOHL-OCCSQVGLSA-N 496.382 2.409 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1CCc2cccc(B3OC(C)(C)C(C)(C)O3)c21 2283945569 CKWVBGVDBKERRH-SJLPKXTDSA-N 458.364 2.245 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)N1CCc2cc(B3OC(C)(C)C(C)(C)O3)ccc21 2283953125 PGTOTPFBSBBFNL-HKUYNNGSSA-N 458.364 2.245 30 10 JEEE Cc1ccc(CNC(=O)CN(C)CCNC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2296177629 CBGSCVUTFGGCID-UHFFFAOYSA-N 461.412 2.367 30 10 JEEE CN(Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C#CC1(S(C)(=O)=O)CCC1 2302954624 GPYOCXNBQAEHNA-PMACEKPBSA-N 450.601 2.343 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1[C@H]2C[C@H](CN(C(=O)[C@@H]3C[C@@H]3B3OC(C)(C)C(C)(C)O3)C2)[C@H]1CO 2334271588 PNSBXJIUVZODAZ-SUMCQTLJSA-N 450.385 2.449 30 10 JEEE COc1ccc(NC(=O)CN2CC(NC(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2365287446 ZHQITQWJBXGKTA-UHFFFAOYSA-N 461.368 2.142 30 10 JEEE CC(C)(C)OC(=O)NC1CN(CC(=O)Nc2cc(F)c(F)cc2B2OC(C)(C)C(C)(C)O2)C1 2379883576 OVSVBKBKWLJIQU-UHFFFAOYSA-N 467.322 2.411 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)[C@H](C)S(=O)(=O)CC(=O)Nc3ccc(F)cc3)cc21 19978372 IKIBODJEUSDAPF-AWEZNQCLSA-N 460.483 2.362 30 10 JEEE COC(=O)c1ccc(/C=N/Nc2nc(SCC(=O)NCc3ccc(OC)c(OC)c3)n[nH]2)cc1 20905723 XAIFLWLRSHCFFG-WYMPLXKRSA-N 484.538 2.463 30 10 JEEE COc1ccc(NC(=O)CSc2nnc(N/N=C/c3ccc(OC)c(O)c3)n2N)c(C)c1 21316799 PZBUHFCGWJKCQR-LSHDLFTRSA-N 457.516 2.200 30 10 JEEE COc1cc(/C=N/Nc2nc(SCC(=O)NCc3ccc4c(c3)OCO4)n[nH]2)ccc1O 58995110 SQJFBZRLELPEHN-LSFURLLWSA-N 456.484 2.102 30 10 JEEE CCCCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccc(Cl)nc1 729672814 JSGSZNDXYSPEBP-UHFFFAOYSA-N 478.965 2.014 30 10 JEEE C#CCN(C(=O)CCn1cnc2scc(-c3ccc(C)cc3)c2c1=O)[C@H]1CCS(=O)(=O)C1 918756779 ZCLXFXQMROLANB-SFHVURJKSA-N 469.588 2.472 30 10 JEEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1286336195 HEYFBGFYVQITOA-HXUWFJFHSA-N 461.636 2.051 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1CCSCc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1286394150 NOMLETHPDGVYDT-PKOBYXMFSA-N 478.615 2.481 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccc3C)n2C[C@]2(O)CCO[C@@H]2C)n1 1286471365 LPQPOLYCGVKPRN-CJFMBICVSA-N 464.570 2.276 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CCC(C)(C)C)CC1 1286549504 XSPASYRZOBWNBA-AABGKKOBSA-N 482.695 2.428 30 10 JEEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1286693589 VIFXJLDQGFTYDV-UHFFFAOYSA-N 463.546 2.325 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1286802323 AEMJZRMOAXPECE-YLJYHZDGSA-N 461.588 2.017 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](Oc2ccccc2Cl)C1 1286814172 MEDDRDVDXOMXRM-MRXNPFEDSA-N 482.006 2.328 30 10 JEEE CCN1CCN(C[C@@H](C)Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N(C)C[C@H](C)C#N)CC1 1296183589 FYARVBGXINWVPS-WOJBJXKFSA-N 487.674 2.218 30 10 JEEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C(F)F)c1 1298875934 QEFFTMXDNSIUOY-MRXNPFEDSA-N 459.515 2.478 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCCN1CCC[C@H]1CO 1300309309 SMIJPHHIBQKELH-IRLDBZIGSA-N 466.634 2.147 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1Cc1ccccc1CN1CC[C@H](O)C1)[C@H]1CCS(=O)(=O)C1 1300485785 YOQDQJMFVQJVFL-OIBXWCBGSA-N 485.654 2.033 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1Cc1ccc(C)nc1)[C@@H]1CCS(=O)(=O)C1 1300489317 LZRQHLHQHGDJRS-LJQANCHMSA-N 481.578 2.341 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CC12CCOCC2 1300538425 PTXDGACSGDOOQZ-VQTJNVASSA-N 469.586 2.476 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](Cc2ccccc2)OC)CC1 1300726391 OGDGKXIETZFUJU-FGZHOGPDSA-N 451.571 2.006 30 10 JEEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1300753856 CEDLFNXBSWRFIQ-SFTDATJTSA-N 483.686 2.277 30 10 JEEE C#CCSCCn1c(Cc2cccnc2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1300766524 DYAXYHMTBLMKJT-NFBKMPQASA-N 481.670 2.009 30 10 JEEE C=C(Br)Cn1c(-c2ccccc2OC)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1300837465 OWAXZQRQDVZONW-UHFFFAOYSA-N 491.390 2.036 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1300875646 NUUHJEYLJXEWQK-VMBXEPDQSA-N 451.527 2.158 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)NCC)CC1 1300890904 IQPIGWMSSFGSJZ-PXNSSMCTSA-N 487.630 2.102 30 10 JEEE C=CCCCn1c(-c2ccccc2OC)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1301215159 QOWAVPJDEYDRQY-UHFFFAOYSA-N 452.559 2.191 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@H](C)C1 1301568261 QCDQVORWKKOAFJ-OAHLLOKOSA-N 451.980 2.309 30 10 JEEE C=CCNC(=O)c1cccc(S(=O)(=O)N(C)[C@H]2CS(=O)(=O)c3ccc(Cl)cc32)c1 1309336215 ZIOXQPIWEPNAGL-KRWDZBQOSA-N 454.957 2.405 30 10 JEEE CO[C@H](C)c1nc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@H](C(N)=O)C2)cs1 1315150008 GJTWEYNNCUODAV-GDBMZVCRSA-N 467.555 2.253 30 10 JEEE C#CCN(C)c1nnc(COc2ccc(Br)cc2)n1CCS(=O)(=O)CC=C 1358953035 IISXOYRBWQETQN-UHFFFAOYSA-N 453.362 2.290 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H]1CCC=CO1)[C@H]1CCS(=O)(=O)C1 1358957796 ALINTWQFEFNXFZ-RBUKOAKNSA-N 472.567 2.282 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1CCOc1ncccc1F)[C@H]1CCS(=O)(=O)C1 1358965978 FUWVNYBRQTVJRB-FQEVSTJZSA-N 483.569 2.303 30 10 JEEE C#CCN(c1nnc(COc2ccccc2OC)n1Cc1ccc(C)nc1)[C@@H]1CCS(=O)(=O)C1 1358967946 WBMXONCFFLAXKI-HXUWFJFHSA-N 481.578 2.244 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnccn2)n1CC1CCS(=O)(=O)CC1 1359015864 HOSSUOSAILLEMB-UHFFFAOYSA-N 454.531 2.339 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCCN(C)CC(F)(F)F)CC1 1359045122 XQBGPIHJOWXBFI-SFHVURJKSA-N 470.540 2.370 30 10 JEEE C=CC1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1359174858 RRKUGVCVZFJNCT-AWEZNQCLSA-N 462.352 2.426 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@]2(C)[C@H](C1)C2(Cl)Cl 1359326547 CIZNZNZRPZIOHY-KSSFIOAISA-N 476.430 2.135 30 10 JEEE COc1ccc(CN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)[C@H](CO)C(C)C)cc1 1466562179 GNRAFGDXIORUJN-HTAPYJJXSA-N 459.568 2.279 30 10 JEEE CC[C@H](C)[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1494940616 FWZGFAYNGLQPLC-NDIWIEOSSA-N 496.612 2.353 30 10 JEEE CN(CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1)C1CCCCC1 1503597205 AUSQRNAUNLTTBE-UTKZUKDTSA-N 452.600 2.277 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)cc2OC)n1CCCN1CCC[C@H]1C(=O)N(C)C 1507524554 VJLFVMKMVUQIEH-RXVVDRJESA-N 468.602 2.363 30 10 JEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2cc(OC)c(OC)cc2CC1 1507588005 DKMMGXWLMUJTEO-IBGZPJMESA-N 458.584 2.216 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CC[C@@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1507629109 RIJQACSHRIZHEW-RBUKOAKNSA-N 464.975 2.031 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1C[C@@H](C)Oc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1507633266 CPJBAOGRVOYHKL-MJGOQNOKSA-N 458.584 2.333 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCCCCC2)nc1 1507711285 SOJURBCQCQZCLF-OAQYLSRUSA-N 486.642 2.090 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(OC(C)(C)C)nc2)CC1 1507715831 IUHMBTLAOUACJY-UHFFFAOYSA-N 474.569 2.301 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@](C)(O)c2cccc(Cl)c2)CC1 1507718351 CNZFGEUULYNHEY-DNQXCXABSA-N 474.005 2.247 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(c2nc(C)no2)CC1 1507915529 CBKKSIUEEWBWDR-SFHVURJKSA-N 493.634 2.289 30 10 JEEE C=CCCCn1c(COc2ccccc2OC)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1507956463 ODKIOFFMWYFDEX-UHFFFAOYSA-N 470.574 2.005 30 10 JEEE CC(=O)NC[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCCC2)C1 1508354249 FVRODECZGSLGQP-HXUWFJFHSA-N 452.559 2.386 30 10 JEEE COCCN1C[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(F)(F)CC2)CC1=O 1519217940 DZJKVIFCUTWEMY-SFHVURJKSA-N 474.512 2.459 30 10 JEEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N(CCC#N)CC3CC3)n2Cc2ccccc2Cl)C1 1519545251 BGBMYOWDLJDGTM-LJQANCHMSA-N 479.006 2.443 30 10 JEEE CS(=O)(=O)c1ccc(F)c(C(=O)N2C[C@H](NC(=O)C(F)(F)F)CC[C@H]2C(F)(F)F)c1 1530390396 DWBIJQHKPHJUSY-PELKAZGASA-N 464.359 2.443 30 10 JEEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(N2CCCC2)CCOCC1 1539153768 AROOPKPNQNPWMS-UHFFFAOYSA-N 457.600 2.063 30 10 JEEE C=C(Br)Cn1c([C@H]2CCCCO2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1539595599 DVWOVZXTCHYWAI-OAHLLOKOSA-N 450.341 2.015 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1539622509 XDUXWSRCLUXUKU-UYAOXDASSA-N 490.586 2.306 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H](C)CN1CCOCC1 1539659460 YDOXWZOISGYMEB-IBGZPJMESA-N 451.579 2.292 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc(-c2cnccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1540127936 YGCRAYNLSCUZMI-XTQSDGFTSA-N 456.510 2.454 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1([S@@](C)=O)CCC1 1540187147 LRXKIEQUVYUMSK-NOVUIFNWSA-N 466.629 2.310 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1540874283 APUIIUCVJPVCAF-IBGZPJMESA-N 470.574 2.491 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Br)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1540900206 NZPGNVFRAQNGEX-HZPDHXFCSA-N 497.371 2.423 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1540908389 FWAKMVPLWIUDKE-GOSISDBHSA-N 494.589 2.371 30 10 JEEE CC(C)OC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCOC[C@@H]2C)CCO1 1541748039 CQNCMFRMSVYOCM-REWPJTCUSA-N 484.601 2.080 30 10 JEEE COCC(=O)N1CCC2(CC1)C[C@@H](C(=O)N(C)C)N(c1ccc(C#N)c(C(F)(F)F)c1)C2 1548381764 GUMPJDQGHHNOLD-SFHVURJKSA-N 452.477 2.499 30 10 JEEE COc1ccccc1O[C@@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1 1555093403 DIFZBIHKKFLLBD-WMZOPIPTSA-N 459.572 2.396 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCN1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1588049231 CNXDMYUAMMFGSA-HXUWFJFHSA-N 456.616 2.007 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccnc(OCC(F)(F)F)c1 1588079186 ROEMRWLBIOWKIH-UHFFFAOYSA-N 469.427 2.383 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OC(F)F)cc1 1588181525 WFQDDVGHTRDBGE-OAHLLOKOSA-N 451.499 2.001 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@](C)(O)C2CCCCC2)CC1 1588884610 GZNYPKMWKMOSNN-SANMLTNESA-N 493.612 2.223 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@]2(OC)CCOC2)CC1 1588908226 MFKXOQSHBFODAW-HSZRJFAPSA-N 457.962 2.370 30 10 JEEE C#CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCN(C(C)=O)CC1 1589069532 LBJSOSFKSJHZPK-IBGZPJMESA-N 492.646 2.012 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(O)(C(F)(F)F)CC1 1589546409 QBPJPJWPZUAIAD-XHSDSOJGSA-N 478.537 2.055 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1595545272 UMZDSMAYXOOCGO-IBGZPJMESA-N 450.543 2.394 30 10 JEEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 1595562368 WJWFDVASXKEBBD-INIZCTEOSA-N 457.966 2.436 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1595776640 CKXAAKDTPIEVOJ-OAQYLSRUSA-N 482.610 2.160 30 10 JEEE C#CCN1CCC[C@@H](NC(=O)c2nnn([C@@H]3CCN(C(=O)OC(C)(C)C)C3)c2C(F)F)C1 1595790060 IKZLRCCOYRHOPU-HUUCEWRRSA-N 452.506 2.225 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCC(N2CCCCC2)CC1 1595811958 ILMZRICJOYGSPE-UHFFFAOYSA-N 458.632 2.319 30 10 JEEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H](C2CCOCC2)C1 1595823682 QDWNKFXRTSANQP-GOSISDBHSA-N 493.655 2.123 30 10 JEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(OC)c(O)c1 1595884065 GVYUSOHBKVWBDA-INIZCTEOSA-N 452.602 2.450 30 10 JEEE CCOC(=O)[C@@H]1S/C(=N/C(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)N(C)[C@H]1C 1613976238 KQGGMYQLSKHFGJ-KKGVPZTKSA-N 467.613 2.277 30 10 JEEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](c2ccsc2)O[C@H](C)C1 1618839687 DKYHLKOEPMMBLN-DNVCBOLYSA-N 472.596 2.394 30 10 JEEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)N2CCC[C@@H](C)C2)CC1=O 1619937312 GKGOQXMWMNFAFL-UXHICEINSA-N 465.602 2.232 30 10 JEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCO[C@H](c3ccc(OC(F)F)cc3)C2)c1 1624502815 QMTUNYCJJSRDNB-IBGZPJMESA-N 450.463 2.413 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H](c1ccc(C)o1)N1CCOCC1 1649537808 FLYDUKIQNAANJE-WXVUKLJWSA-N 457.575 2.363 30 10 JEEE C[C@H](NC(=O)Cn1cc(CN2CCOCC2)cc(C#N)c1=O)c1ccc(Br)cc1 1651996575 FVWJRDXOTYICNG-HNNXBMFYSA-N 459.344 2.192 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CN(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CCO1 1668264669 CXKNNJLAWFPYFO-LPHOPBHVSA-N 458.563 2.246 30 10 JEEE C#CCN(C(=O)NCc1cccc(-c2nc(CC(F)(F)F)no2)c1)[C@H]1CCS(=O)(=O)C1 1682851146 DAQZZUPDXARCSY-HNNXBMFYSA-N 456.446 2.173 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1cccc(Cn2cccn2)c1)[C@@H]1CCS(=O)(=O)C1 1689980851 YGNBLWBABHNRLC-OAQYLSRUSA-N 466.611 2.495 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1Cc1nccn1C(F)F)[C@H]1CCS(=O)(=O)C1 1689994462 YVBDYKQVUDSUFX-SFHVURJKSA-N 474.537 2.330 30 10 JEEE C#CCN(c1nnc(CCOc2ccccc2)n1C[C@@H]1CCO[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1689994479 ZDBHDXHDQMCRTE-HBMCJLEFSA-N 472.611 2.341 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccco1)N1CCCCC1 1690046974 JFNSKRNUZYQQFX-NHCUHLMSSA-N 469.611 2.463 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCOC[C@H]2CCOC2)CC1 1690115111 SGNSHSGWEZLEFX-LJQANCHMSA-N 454.531 2.052 30 10 JEEE C#CCSCCn1c(-c2cccc(Br)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1690157732 NXCJLSHVHMJGEH-SFHVURJKSA-N 478.416 2.415 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1c(Cl)c(C(F)(F)F)nn1C 1690190194 NUGCMJQXPDAEKF-APPDUMDISA-N 493.943 2.334 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ccc(C)n(C)c1=O 1690196725 VJZCNVLHRSVOCJ-RUZDIDTESA-N 494.621 2.243 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCNC(=O)C(C)(C)C 1690202793 FMPSBMBTYLIUCX-RUZDIDTESA-N 461.570 2.346 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2c(cccc2OC)C1 1690237113 VPGGSXMCYTXEHL-BLIXFSHQSA-N 475.615 2.441 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(O)c1 1690609465 PHQQDTULSWOEEG-NRFANRHFSA-N 487.582 2.193 30 10 JEEE Cc1ncsc1CCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1692915361 DWOQVLHDNVZJFE-UHFFFAOYSA-N 465.587 2.017 30 10 JEEE CC[C@H](C)[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1693933874 HKGKQHCEOXENAQ-DFBJGRDBSA-N 481.601 2.188 30 10 JEEE CC[C@H](C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCN1CCN(C)C(C)(C)C1 1694120819 HOCLWQHUIFNVRR-FQEVSTJZSA-N 465.650 2.411 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@]1(C)CN(C2CC2)C1=O 1705481530 IJJBCKCGJMXCOO-MYYSRTQBSA-N 453.543 2.440 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2C[C@]2(C)COCCO2)c1 1705506957 NAVODGLSGCCVNA-RUZDIDTESA-N 460.538 2.126 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCCCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1705567286 VLKYVERAFDJTHY-WOJBJXKFSA-N 460.604 2.132 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCCCS(C)(=O)=O 1705614292 DPOWXVNSAHNCJS-SFHVURJKSA-N 483.635 2.261 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(CC)cc3)n2CC2(OCCOC)CCOCC2)CC1 1705635576 CLRWZTZCYHRDFB-UHFFFAOYSA-N 467.614 2.475 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@H]2CCOC[C@H]2OC)CC1 1705651490 YMTAZPBHMLOSRT-JTHBVZDNSA-N 481.597 2.183 30 10 JEEE C#CCSCCn1c(N2C[C@H](C)O[C@]3(CCOC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1705664935 GDHSENHOODGLCW-VLCRHTCISA-N 450.605 2.069 30 10 JEEE C=CCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1705888504 BRBCELYHFBJDDT-AWEZNQCLSA-N 470.393 2.420 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1705898545 OYICHEDZRRMCFM-QGZVFWFLSA-N 465.558 2.067 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C(C)(F)F)cc1 1722297358 ZBZFIUYWZZWWIN-MAUKXSAKSA-N 467.542 2.229 30 10 JEEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1CCC(=O)N1CCCCC1 1722401013 IKXRCALEBYSOHH-UHFFFAOYSA-N 452.584 2.135 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2CCc2ccc(O)cc2)CC1 1722441199 NNTGEFOYUUJCLY-UHFFFAOYSA-N 466.586 2.111 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3c[nH]c4ccccc34)n2CCC(=O)NCCC)CC1 1722445956 GWCUPWRKRZWMKQ-UHFFFAOYSA-N 461.570 2.309 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1722453281 QSAIATKPWNOYKI-SFHVURJKSA-N 477.598 2.187 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(CC)CC)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1722466008 IYXNDKIOOCXNHJ-DRMXPCRNSA-N 490.674 2.393 30 10 JEEE C=C(Br)Cn1c(COc2ccccc2OC)nnc1N1CC[C@]2(CNC(=O)C2)C1 1722490505 ZYQPGKJVNYQMOR-FQEVSTJZSA-N 462.348 2.491 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccc2C)nnc1N1CCN(CC(=O)N(C)C)CC1 1722493940 AUAYWMYSQDMRBW-NZQKXSOJSA-N 452.603 2.445 30 10 JEEE C=C(Cl)Cn1c(Cc2csc(C)n2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1722579510 GUTNLRHCWHJCRD-UHFFFAOYSA-N 476.994 2.443 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c(-c2cnn(C)c2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1)C(C)C 1722664661 FEZDUZAJOXRSHI-HLAWJBBLSA-N 452.607 2.092 30 10 JEEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCCC[C@H](SC)C1 1722698934 PMRDWZWINXTSOB-IBGZPJMESA-N 470.647 2.476 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1722702664 OSDNNLQMSCUJTK-GMAHTHKFSA-N 462.554 2.470 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccc(S(C)(=O)=O)cc2)C1 1722710350 HIZIIWYTEBYQQD-CVDCTZTESA-N 476.599 2.163 30 10 JEEE C=CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)N2CCCC2)CC1 1722736981 OTJBHARSBZMJDY-UHFFFAOYSA-N 463.652 2.454 30 10 JEEE CCC[C@@H](C)C(=O)NCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@H](C)CC#N 1727925169 CNKFATPTMBSZSE-IAGOWNOFSA-N 464.574 2.483 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1CC(C)(C)CN(C)C)[C@H]1CCS(=O)(=O)C1 1740618178 DEVHTTFOAMFYTH-IBGZPJMESA-N 489.642 2.177 30 10 JEEE C#CCN(c1nnc(CCOc2ccccc2)n1C[C@](C)(O)c1ccco1)[C@H]1CCS(=O)(=O)C1 1740626011 UVRVLLKAMCSUQI-CYFREDJKSA-N 484.578 2.027 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1CCOc1ccc2c(c1)OCO2)[C@@H]1CCS(=O)(=O)C1 1740626769 NAJXCKNGUBWXGD-QGZVFWFLSA-N 474.583 2.301 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@](C)(O)c1ccco1)[C@H]1CCS(=O)(=O)C1 1740627742 KGIJXAXYWZGHKB-MBSDFSHPSA-N 488.541 2.124 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@]2(OC)CCOC2)CC1 1740707750 OKVVPHIYTGCNPG-AREMUKBSSA-N 481.597 2.245 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1740762277 CRCAOLPBXHPCIV-DBXWQHBBSA-N 474.606 2.485 30 10 JEEE C=CCn1c(-c2cc(Br)cn2C)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1740943908 GUIRJHUIONMYRC-UHFFFAOYSA-N 476.423 2.367 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(c2cc(C)nc(C(C)C)n2)CC1 1740955897 HUXCDTRNOSITEY-UHFFFAOYSA-N 461.574 2.191 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1740963454 LHZMXWNMPBSWPG-RHSMWYFYSA-N 464.448 2.187 30 10 JEEE CC(C)(C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1741207788 GSTMRBTYVNCCTG-OAQYLSRUSA-N 465.602 2.423 30 10 JEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(CC2CCOCC2)CC1 1748760269 YJPPFCCMHXLKBA-UHFFFAOYSA-N 456.616 2.232 30 10 JEEE C#CCN(c1nnc(C)n1C[C@@H]1CC2(CC2)CN1C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1748805371 QOPOXRWYWNIFKK-MSOLQXFVSA-N 463.604 2.003 30 10 JEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@](C)(O)c1ccsc1 1748845936 CEWQUJQIKRDQHJ-DEOSSOPVSA-N 461.595 2.494 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCNS(=O)(=O)CC)CC1 1748978586 NQJNBJDEQCNSEO-UHFFFAOYSA-N 495.653 2.047 30 10 JEEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2Cc2ccc(NC(C)=O)nc2)CC1 1748992884 JFJOQUPZFDLBQH-UHFFFAOYSA-N 465.508 2.304 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC1 1748993045 NZFOQKPJBFUJEO-OAQYLSRUSA-N 476.547 2.196 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2C[C@]2(N(C)C)CCSC2)CC1 1749015238 AXUHXRLDSVNJEK-AREMUKBSSA-N 480.682 2.466 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(CN(C)C(C)C)CC1 1749118361 FVHIXZWVKMYDJD-NRSPTQNISA-N 482.695 2.426 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1749121083 KIEGQQPVVRNOFO-FSSWDIPSSA-N 450.543 2.139 30 10 JEEE C=C(C)COCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1749228548 BESBLIHEPQNLQC-NRFANRHFSA-N 491.614 2.149 30 10 JEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(C#N)c1 1749402308 LRXQAUKNBZDSOW-FQEVSTJZSA-N 458.588 2.475 30 10 JEEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)Cc1cccc(C#N)c1 1749670112 RHNFTVSLGBAOQO-UHFFFAOYSA-N 471.569 2.262 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(CN2CCO[C@H](C)C2)c1 1750068386 BUNQYHCDYQSWPD-DBXWQHBBSA-N 451.575 2.094 30 10 JEEE CC(C)(C)S(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1750517788 CMIKKQMJEUNNTM-UHFFFAOYSA-N 499.641 2.368 30 10 JEEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2OCC)n1C[C@H]1CCCN1S(C)(=O)=O 1760124653 ULPZLGJIOBARMJ-ZWKOTPCHSA-N 461.588 2.138 30 10 JEEE C#CCCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1760133537 HGGJMDDGQWUMOU-UHFFFAOYSA-N 494.596 2.037 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CC[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1760186843 REPBMLNPTRHVOU-IAGOWNOFSA-N 464.538 2.200 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@]1(O)CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1760189508 PSSPVWQZGZREPH-MBSDFSHPSA-N 457.600 2.216 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CCOCc2ccccc2)CC1 1760271763 LDZHDVZHGAOAAL-UHFFFAOYSA-N 458.566 2.447 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2CCC(F)(F)C2)CC1 1760273030 GQBZCUPSSZJCBE-WDSOQIARSA-N 465.545 2.403 30 10 JEEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1760526522 BADCMCHSMCNBFI-UHFFFAOYSA-N 475.475 2.437 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC[C@H]2COCCO2)C1 1760535213 NBOIWKPBFDXHOD-PMACEKPBSA-N 475.977 2.448 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1760553176 NQNTVQPXVXBULE-IBGZPJMESA-N 459.616 2.235 30 10 JEEE CCCN(CC)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1765990468 AAMZFYMYHFODPR-IBGZPJMESA-N 453.547 2.101 30 10 JEEE CN(C(=O)OC(C)(C)C)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)C1 1766841054 FEZHUOJVQXSLPH-HXUWFJFHSA-N 495.584 2.121 30 10 JEEE COc1ccc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@@H](NC(C)=O)C2)cn1 1768683291 GSUCWSRBHWMCRN-HXUWFJFHSA-N 461.526 2.286 30 10 JEEE COCCN1C[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCc2nccs2)CC1=O 1769878952 DSCSLLVKFNITEL-GOSISDBHSA-N 465.583 2.447 30 10 JEEE C=CCNC(=O)[C@@H](Cc1ccc(OC(C)=O)cc1)NC(=O)CCCN1C(=O)c2ccccc2C1=O 1861780628 DSMHFEVVMTXFIT-JOCHJYFZSA-N 477.517 2.018 30 10 JEEE CCN(CC)CCCNC(=O)[C@@H](Cc1ccc(F)cc1)N=C1NS(=O)(=O)c2ccccc21 1869933434 HEAUGFPEIMWHAN-HXUWFJFHSA-N 460.575 2.324 30 10 JEEE Cc1cc(C)c(S(=O)(=O)Nc2c(C#N)nnn2-c2ccc3c(c2)C(=O)N(C)C3=O)c(C)c1 1870099708 UFZHQNDKERNSEG-UHFFFAOYSA-N 450.480 2.091 30 10 JEEE CC(C)(C)OC(=O)NCC(CNC(=O)OC(C)(C)C)NS(=O)(=O)c1ccc(F)c(C#N)c1 2054407751 JPORMUYMJFCXTJ-UHFFFAOYSA-N 472.539 2.394 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H]1NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2247901174 GIDRLESFKQQEOK-ZIAGYGMSSA-N 458.411 2.381 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](NS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)CCO1 2255795709 XTRFSHZLZQCTRQ-CYBMUJFWSA-N 474.410 2.267 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)[C@H](CO)C1 2255810242 AWCVTXYWKRLDDD-AWEZNQCLSA-N 452.382 2.101 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)[C@H](CO)C1 2255832781 RICPDZIIYHQZSF-HNNXBMFYSA-N 452.382 2.101 30 10 JEEE CCc1nn(C)c(C(=O)N[C@H](C)[C@@H](C)NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267191531 DQYZKLXJKUGWPD-ZIAGYGMSSA-N 450.389 2.313 30 10 JEEE CC(C)(C)OC(=O)N[C@@]12C[C@@H]1CN(S(=O)(=O)c1ccc(B3OC(C)(C)C(C)(C)O3)cc1)C2 2267713341 AIZPLVPFGRLHNP-IVZQSRNASA-N 464.393 2.274 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CCS(C)(=O)=O)C(=O)N[C@H]1CCC=C1B1OC(C)(C)C(C)(C)O1 2268653508 NXTBSNMBYLFBLH-JKSUJKDBSA-N 472.413 2.151 30 10 JEEE Cc1cc(S(=O)(=O)N2CCC(NC(=O)C(F)(F)F)CC2)sc1B1OC(C)(C)C(C)(C)O1 2270600627 RZYWAVPWFJZBHE-UHFFFAOYSA-N 482.355 2.187 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](NC(=O)c2cc(F)ccc2B2OC(C)(C)C(C)(C)O2)C1 2281775473 FYLNSPIVZPDDEE-ROUUACIJSA-N 464.343 2.225 30 10 JEEE Cn1cc(C(=O)NC[C@H]2CC3(CC3)CN2C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2281964669 ASAJWABAZAUPDU-OAHLLOKOSA-N 460.384 2.239 30 10 JEEE CC(C)(C)OC(=O)NC1CC(C[S@](C)(=O)=NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2281982876 PZXOFDFKLYWOLI-ICZALSQNSA-N 482.412 2.250 30 10 JEEE CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2282055711 IKOQZOMYVPXVFK-CQSZACIVSA-N 468.310 2.150 30 10 JEEE CC(C)(C)OC(=O)N1CC(C[S@](C)(=O)=NC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2282173300 HOAFCUITERUXIF-XIFFEERXSA-N 479.408 2.486 30 10 JEEE C[C@@H]1CC[C@@H](NS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CN1C(=O)OC(C)(C)C 2282351363 ZLBAHQDOVIPYTE-NVXWUHKLSA-N 481.424 2.447 30 10 JEEE Cn1cc(C(=O)NC[C@H](CNC(=O)OC(C)(C)C)C(F)(F)F)c(B2OC(C)(C)C(C)(C)O2)n1 2282589951 VKZOJHIFRPKELN-GFCCVEGCSA-N 476.305 2.152 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282836673 NKKMAZHRLYTCBJ-GASCZTMLSA-N 499.464 2.356 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@@](O)(CC(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)C1 2284020823 QHGPLZBZZUUXTA-HSZRJFAPSA-N 461.368 2.471 30 10 JEEE CC(C)(C)OC(=O)N[C@]1(C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)C[C@H](O)C1(C)C 2284058831 BSAFKDLEDABTLI-PSLXWICFSA-N 461.368 2.374 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@]1(CO)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2284068970 KRCORTFPJKWWSW-QFIPXVFZSA-N 465.331 2.220 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)NC[C@H]1COCCN1C(=O)OC(C)(C)C 2285198490 UKMZVNBHYQFPHZ-KRWDZBQOSA-N 461.368 2.055 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2OCC[C@]2(C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2296392048 MSGJPQXYHOATFO-MWTRTKDXSA-N 459.352 2.345 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)n1C 2362338118 CIOWMBZIPWWKHB-HOTGVXAUSA-N 462.400 2.451 30 10 JEEE COc1ccc(NC(=S)/N=C(/Nc2nc(C)cc(C)n2)N2CCC(C(N)=O)CC2)c(OC)c1 14161053 WZGZJYZLCHYYNL-UHFFFAOYSA-N 471.587 2.473 30 10 JEEE COc1cc([C@@H]2C3=C(O)N=C(NCc4ccc5c(c4)OCCCO5)NC3=NC(=O)[C@H]2C#N)ccc1O 72461301 IOYSAGHHVCKMAM-YWZLYKJASA-N 489.488 2.243 30 10 JEEE C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](CNc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 204868496 PDZAAQJBAOGCEV-SJORKVTESA-N 489.426 2.340 30 10 JEEE C#CCOc1ccc(C(=O)N[C@H]2CN(C(=O)Nc3ccccc3C(=O)OC)CCC[C@H]2O)cc1 215028093 IDEXECZKYHHZTN-FCHUYYIVSA-N 465.506 2.272 30 10 JEEE Cc1c(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)nnn1-c1ccc(F)c(Cl)c1 518174275 WGESBYSQTGRTDG-UHFFFAOYSA-N 488.932 2.387 30 10 JEEE COCCN/C(S)=C(/C(O)=C1C=CC(=NS(C)(=O)=O)C=C1)[n+]1ccc2c(c1)CCCC2 728556294 HVOZGPUMBYBCMK-UHFFFAOYSA-O 462.617 2.484 30 10 JEEE C#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCN(C)[C@H](C(=O)O)C1 757313053 RYNXATSBNYMWCU-GOTSBHOMSA-N 461.518 2.144 30 10 JEEE C#CC[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 757473394 FDOZVXMZKRYVPJ-ZHRRBRCNSA-N 450.491 2.259 30 10 JEEE C#CCN(C)c1nnc(COc2ccccc2OC)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1286381391 LVDYKYDPFHWJCY-RBUKOAKNSA-N 473.599 2.139 30 10 JEEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1286545362 WMQPFPBGIHZZIV-UHFFFAOYSA-N 489.465 2.451 30 10 JEEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](Cn2cccn2)C1 1286630354 SCTBIHFUAUDQSJ-ROUUACIJSA-N 493.996 2.441 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(Cc2cc(C)on2)CC1 1286779001 GHQZIEVFQZMKQD-GOSISDBHSA-N 483.548 2.478 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C2CCOCC2)C1 1286792057 LEKKVOPTJUWXFT-HXUWFJFHSA-N 450.543 2.284 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1286792180 PAQTYFBRSAYMAB-QGZVFWFLSA-N 453.522 2.101 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 1286815999 DJUAIUPAWGJCNE-SFHVURJKSA-N 474.631 2.318 30 10 JEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 1286833263 YIFXIKLJUWKBJY-KRWDZBQOSA-N 492.627 2.334 30 10 JEEE CN(C)C(=O)CCCn1c(CC2CCCC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1297976991 FCRFGPXKKSHYTI-UHFFFAOYSA-N 450.591 2.472 30 10 JEEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CCc1ccc(C=C)cc1)[C@@H]1CCS(=O)(=O)C1 1300482843 IDXYZICRHSSLBZ-RCZVLFRGSA-N 484.622 2.443 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)c1nc(-c2ccccc2)no1 1300539010 WOMKGSWJNIRBAG-HKUYNNGSSA-N 464.551 2.107 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1nccnc1C 1300539140 ZAUSNFLIIZPGHZ-HXUWFJFHSA-N 465.558 2.000 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)Cc1cccs1 1300631612 UFMLOENMCXRXQA-AEFFLSMTSA-N 451.618 2.011 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H](c2ccsc2)N(C)C)CC1 1300684808 AHKDJDWPRSPFCZ-NFBKMPQASA-N 458.632 2.050 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@@H](N2CCOCC2)C(F)(F)F)CC1 1300692524 IXHDSNSWUYHXNK-OAQYLSRUSA-N 487.530 2.225 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCSC)CC1 1300730953 HWPQRLNTKNZWMY-UHFFFAOYSA-N 452.584 2.448 30 10 JEEE C#CCSCCn1c(CC2CCCC2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1300768687 VSOIMFDMUOCEGA-KNQAVFIVSA-N 458.676 2.366 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(C#N)cc1 1300872875 HMPZTLBBGIDVLG-DBVUQKKJSA-N 458.588 2.378 30 10 JEEE C=C(C)COCCn1c(-c2ccccc2OC)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1300982119 AXOSSLRCIIZZFT-UHFFFAOYSA-N 463.604 2.407 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1301483919 YDSNNHFBBWEGND-QGZVFWFLSA-N 451.980 2.304 30 10 JEEE C=CCOc1ccc(Cn2c(Cn3nc(C)cc3C)nnc2N2CC[C@H](S(C)(=O)=O)C2)cc1 1301529868 NQLISWQNOKDVPM-NRFANRHFSA-N 470.599 2.376 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCC(NC(=O)C(C)C)CC1 1301585890 GLARFMQPOYIOBU-UHFFFAOYSA-N 465.645 2.272 30 10 JEEE C=CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C2CC2)C(=O)C1 1301611409 MBWBSOQUCWSUTP-GOSISDBHSA-N 492.646 2.317 30 10 JEEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(Cc2cnc(C)s2)CC1 1301618428 SCPSIVOKOHGLHK-UHFFFAOYSA-N 461.661 2.407 30 10 JEEE C[C@@H](CN1CCCC1)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cccc(C#N)c1 1303744952 FTXNOOPIHOHTAI-ZWKOTPCHSA-N 459.620 2.128 30 10 JEEE CCO[C@@]1(c2nnc(N(C)Cc3cccc(C#N)c3)n2CCN2CCN(C)C(C)(C)C2)CCOC1 1314080755 FTMQOPSSSBRIFP-SANMLTNESA-N 481.645 2.464 30 10 JEEE C#CCCCn1c(-c2ccc(Br)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1358922467 GGCODBOGVKGXIM-UHFFFAOYSA-N 452.378 2.203 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@](C)(O)[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1358956225 BYZIVHIIWCKKOU-UVFQYZLESA-N 498.447 2.460 30 10 JEEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1Cc1cccc(NC(=O)[C@H]2CCCO2)c1 1358982311 RHGZEDCJKAMJSA-HSZRJFAPSA-N 471.565 2.378 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(C)c(Br)c2)n1CCS(=O)(=O)N(C)C 1358988049 AOHIZHUCAGGPCW-UHFFFAOYSA-N 478.416 2.370 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OCC)c(OC)c1 1359064005 IYOBLOGKPJKDTP-OPAMFIHVSA-N 461.588 2.336 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1359089263 FVAAASZGQIYZII-WOJBJXKFSA-N 468.606 2.131 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1359098504 BQOUSAVFJMCAMH-GGAORHGYSA-N 486.661 2.398 30 10 JEEE C=CCN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@]1(O)CCS(=O)(=O)C1)C1CC1 1359246488 CSOPWJDKPNUWHE-QVKFZJNVSA-N 450.536 2.262 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@H](N2CCCC2=O)C1 1359293859 BWCVJBXZBBHMCA-INIZCTEOSA-N 460.485 2.050 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1359295079 PARJBNRHXWFHTA-OAHLLOKOSA-N 495.447 2.372 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCC(OC[C@H]2CCOC2)CC1 1359331009 KHGWIQPBKDCCRC-IBGZPJMESA-N 475.615 2.271 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCCN(Cc2ccc(F)cc2)CC1 1359331012 KIPUACRNDQTNTQ-UHFFFAOYSA-N 487.605 2.131 30 10 JEEE N#C[C@@]1(F)CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Br)s3)C2)C1 1459015543 GVUQJSBSHZXCMQ-ABAIWWIYSA-N 450.355 2.375 30 10 JEEE CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)C(C)(C)C)C[C@H]1C 1502330851 DHJNPGXGXWSOLX-GOSISDBHSA-N 453.591 2.421 30 10 JEEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H]1c1nncn1C 1507588066 FHCACKBKMWXJAC-ZWKOTPCHSA-N 470.578 2.470 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(OC)c(Br)c2)n1CC(=O)N(C)CC 1507709522 VKSZRWWLMHOWRX-UHFFFAOYSA-N 464.364 2.281 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2Cc2conc2COC)CC1 1507718310 NXQHITLMYMLJGG-UHFFFAOYSA-N 458.469 2.484 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@@H](C)N(C)C)CC1 1507735459 AISCVUNUJIMMPZ-QZTJIDSGSA-N 456.566 2.473 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCCN(S(C)(=O)=O)CC1 1507802369 AEUDCYQCHFAMDR-YLJYHZDGSA-N 480.660 2.087 30 10 JEEE C=C(C)COCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(CC(C)C)C(=O)C1 1507842477 BDDGNRKXCALTLK-UHFFFAOYSA-N 479.585 2.089 30 10 JEEE C=CCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCCN(CCC)C(=O)C2)cc1 1508100993 SBRWOFIGTXAERF-HXUWFJFHSA-N 452.559 2.291 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1nc(C(F)(F)F)cs1 1508132490 YUWCXHVYBZCCFH-UHFFFAOYSA-N 492.549 2.227 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CCc2cccc(C(=O)N(C)C)c2)C1 1508132856 ZYJCMULLPXFACB-OAQYLSRUSA-N 466.586 2.126 30 10 JEEE CC1CCN(CCn2c(-c3ccc(C#N)cc3)nnc2N(C)C2CCN(S(C)(=O)=O)CC2)CC1 1512346856 CGTDFPYWQBGMLL-UHFFFAOYSA-N 485.658 2.409 30 10 JEEE N#Cc1ccc(N2C[C@H](C(=O)N[C@H]3CCCN(Cc4ccccn4)C3=O)CC2=O)cc1Cl 1526849999 BDVXFJNAEHEKQG-UZLBHIALSA-N 451.914 2.267 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)c1ccc(F)cc1 1539017048 XJUGIYYPFCBLME-APWZRJJASA-N 463.579 2.186 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(N2CCOCC2)CCSC1 1539029583 KJIOKFMZTROTEN-DVECYGJZSA-N 466.611 2.395 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCOCc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1539221575 QCCBQKLHWOYRAQ-LEWJYISDSA-N 488.610 2.024 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccccc1)N1CCCC1 1539417020 WXENMOICBGPWOL-VXKWHMMOSA-N 471.627 2.103 30 10 JEEE C#CCN1CCN(c2nnc(CC3CCCC3)n2CCNC(=O)c2cccc(OC)c2)CC1 1539454630 VWBLSCKSMRHFMM-UHFFFAOYSA-N 450.587 2.205 30 10 JEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](c2ccsc2)O[C@H](C)C1 1539496512 GYEKPTXDUHQLOP-HLLBOEOZSA-N 469.658 2.283 30 10 JEEE C#CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)CC(=O)NC(C)C 1539511379 WNUTZBGAYMSRMN-UHFFFAOYSA-N 467.599 2.002 30 10 JEEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CCCN(C(=O)C2CC2)CC1 1539759009 WJCWCKAHAROIBA-UHFFFAOYSA-N 472.615 2.311 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN2CCOC[C@@H]2C1 1539759423 HLJOYQZWNLCSHT-PMACEKPBSA-N 476.622 2.464 30 10 JEEE C=CCn1c(C2CCCC2)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1540857296 NJNQKIXFJHJDRK-ZACQAIPSSA-N 451.593 2.248 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Br)cc2)nnc1N(C)[C@H]1CCOC1 1540874392 FNLFHROQNCWLKT-HNNXBMFYSA-N 450.337 2.147 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1540899500 QIDGSMWXCIXJFW-JKSUJKDBSA-N 497.371 2.423 30 10 JEEE Cc1nn(C)c(N2CCN(c3nnc(C(C)(C)C)n3CC[S@@](=O)C(C)(C)C)CC2)c1C#N 1543001144 DWTZAQCOIDCSNY-JGCGQSQUSA-N 460.652 2.363 30 10 JEEE CNC(=O)[C@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CC12CCN(C(=O)c1ccncn1)CC2 1548378089 RTILAHNUGXOIHU-GOSISDBHSA-N 472.471 2.472 30 10 JEEE CS(=O)(=O)N1CC2(CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)C[C@H]1C(=O)NC1CC1 1548379961 LRXTURKCEKIHEX-SFHVURJKSA-N 470.517 2.476 30 10 JEEE C=CCc1cc(CNC(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F)cc(OC)c1OC 1562780800 MUPBJXBHAGTNMI-HNNXBMFYSA-N 453.483 2.054 30 10 JEEE Cc1nsc(N2CCN(C(=O)NCc3ccc(CN4CCC(O)CC4)cc3)CC2)c1C#N 1563956250 DVJLLYOAUJEPAE-UHFFFAOYSA-N 454.600 2.312 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCS(=O)(=O)N1CCSCC1 1587679244 YQJGCZJDIXBKQM-RCCFBDPRSA-N 469.677 2.033 30 10 JEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCN1CCCCCC1=O 1587988784 BHNJGZLIBJZSQW-IBGZPJMESA-N 474.606 2.449 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1Cc1nnc(C)s1)[C@H]1CCS(=O)(=O)C1 1588034536 IGIMPLZEIFJEGG-HOCLYGCPSA-N 490.586 2.392 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1CCc1cc(F)cc(F)c1)[C@@H]1CCS(=O)(=O)C1 1588049498 HEWPNQUBHDRWNQ-HXUWFJFHSA-N 457.506 2.488 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCC(=O)N2CCOCC2)CC1 1588742053 MXJQODPCSQLRRS-QFIPXVFZSA-N 480.613 2.039 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(Br)c3)n2CC2(O)CCOCC2)CC1 1588750549 FBFWIPCCQCUPGQ-UHFFFAOYSA-N 460.376 2.004 30 10 JEEE C#CCN1CCN(c2nnc(-c3cnccn3)n2C[C@H](c2ccccc2Cl)N(C)C)CC1 1588806571 VNKYETCDYIFTOP-OAQYLSRUSA-N 450.978 2.447 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@@H](NC(=O)OC(C)(C)C)C(C)C)CC1 1588923765 LNQYDGQCOXBCGF-HXUWFJFHSA-N 496.616 2.250 30 10 JEEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 1589089243 NTKHZMOKBNIMLN-OAQYLSRUSA-N 488.683 2.461 30 10 JEEE C=CC[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cnccn1)c1ccccc1 1594543716 DPWBWCBFSLWRLU-IRLDBZIGSA-N 497.625 2.397 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc(C(=O)N2CCCC2)n1CC1(S(C)(=O)=O)CC1 1595234325 OXTMTMWNAINFHO-UHFFFAOYSA-N 457.600 2.326 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC2(CC1)COC(=O)N2 1595477781 ZOMTVWMCBAMATO-HNNXBMFYSA-N 474.949 2.453 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 1595516506 DZHZGYOZEDTFMQ-GOSISDBHSA-N 465.558 2.470 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1595551547 RPQQHJGBMLOMRP-VQIMIIECSA-N 484.557 2.196 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 1595759090 CZWXBZDFZFKKRU-AZUAARDMSA-N 463.652 2.255 30 10 JEEE CC(C)(C)OC(=O)NCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1597584137 HXXBHNJVRBOTAS-HXUWFJFHSA-N 495.584 2.488 30 10 JEEE CCS[C@@H]1CC[C@@H](N(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1617473255 IBVAXJXZZHUEAZ-KNKQGSTJSA-N 475.640 2.477 30 10 JEEE C#CCNC(=O)CN1CCN(C(=O)c2cc(Br)c(C(F)(F)F)cc2F)CC1 1626966382 AUZPIGZZZKMIIB-UHFFFAOYSA-N 450.230 2.114 30 10 JEEE C#CCNC(=O)C1CCN(C(=O)Cc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)CC1 1639424851 DXTIEJQPZOFAJV-UHFFFAOYSA-N 457.527 2.157 30 10 JEEE C#CCN1CCC[C@H](NC(=O)c2cccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)c2)C1 1645271046 WYRDRQMEIILQNG-IBGZPJMESA-N 455.536 2.086 30 10 JEEE C#CCN([C@@H]1CCOc2ccc(Br)cc21)S(=O)(=O)[C@@H]1CC(=O)N(C2CC2)C1 1661573620 CCKVKJBWUJWKON-NVXWUHKLSA-N 453.358 2.301 30 10 JEEE C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)OC)C2)cc1 1666758592 CWFTZBFSSBKQEJ-LZQZEXGQSA-N 451.545 2.115 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H](C)c1ncc(C)s1)[C@H]1CCS(=O)(=O)C1 1689986269 MBKVMDDSXIEKPU-WBVHZDCISA-N 458.613 2.479 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1689993853 MQHXLIXJRSMNER-HKUYNNGSSA-N 479.647 2.360 30 10 JEEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1CCN(CCN(C)C)CC1 1690076920 DPEOHCSJIUZQRB-UHFFFAOYSA-N 479.677 2.185 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N(CC)C(=O)OC(C)(C)C 1690077062 HWVGPWWEIYPERV-IAGOWNOFSA-N 453.609 2.285 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2cccc(C3OCCO3)c2)CC1 1690110210 CMMSYCKKDHARIK-UHFFFAOYSA-N 466.586 2.045 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CCCN2C[C@H](C)O[C@@H](C)C2)CC1 1690144050 KIBONSVWVJKFLP-SFTDATJTSA-N 479.629 2.114 30 10 JEEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1690163344 BLRLQXVOSLGVIR-FQEVSTJZSA-N 498.609 2.095 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)OCCOC)n1C[C@@H](N1CCOCC1)C(F)(F)F 1690192709 CSNBDIXKVXWQLF-SQGPQFPESA-N 459.513 2.257 30 10 JEEE C=CCCCn1c(N2CCCN(S(C)(=O)=O)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1690496709 VYOVNSBHARDAMT-HDICACEKSA-N 482.651 2.487 30 10 JEEE CCO[C@]1(c2nnc(N3CCC(Oc4cccc(C#N)c4)CC3)n2CCC(=O)N(C)C)CCOC1 1696060982 HSSKSSZDDIUEIQ-RUZDIDTESA-N 482.585 2.328 30 10 JEEE CN(C)[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(N)=O)C1)c1ccco1 1696601625 GFGJPRMHIBESBO-UYAOXDASSA-N 463.542 2.326 30 10 JEEE CN(C)CC(C)(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@](F)(C#N)C1 1696613027 DNYRJSJJKAWMMJ-HSZRJFAPSA-N 452.538 2.222 30 10 JEEE COC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCC(O)CC2)C1 1697032943 DZIMWJOAVKWCSX-HXUWFJFHSA-N 452.559 2.053 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCCOCC1CC1)[C@@H]1CCS(=O)(=O)C1 1705563395 WSDUADXKISBBBF-GOSISDBHSA-N 463.991 2.437 30 10 JEEE C#CCN(c1nnc(CCOc2ccccc2)n1C[C@@H]1CCC[C@H]1OC)[C@H]1CCS(=O)(=O)C1 1705568267 KANLIKXECVZDPB-JAXLGGSGSA-N 472.611 2.341 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CC[S@](=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1705568298 KFYISYYKXPNOFW-WHUARKNTSA-N 492.667 2.339 30 10 JEEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cc(F)ccc1N1CCOCC1 1705618651 OYLBUUMCMDBDNP-AVRDEDQJSA-N 457.550 2.486 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](c1ccc(C)cc1)N1CCCC1 1705627443 HCEYDBJPAPMEQJ-FCHUYYIVSA-N 450.587 2.461 30 10 JEEE C=C(C)Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1705728116 WNXLZABTFURUII-PGRDOPGGSA-N 454.623 2.095 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@H](C)C1)C(C)C 1705869255 QBBOGHRLLVUVIL-JSXRDJHFSA-N 465.664 2.492 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1705936249 MNYCFIMDRPXYBN-MSOLQXFVSA-N 483.635 2.076 30 10 JEEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CC2(C)CCOCC2)c1 1711017888 DLELUKGFHOWQBS-JOCHJYFZSA-N 476.578 2.454 30 10 JEEE C#CCCCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1722336421 KSVNGABACRNLNR-OAQYLSRUSA-N 475.590 2.052 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1Cc1cnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1722362638 NWEASKYGNPRETP-OAHLLOKOSA-N 462.988 2.433 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CC(=O)NC1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1722364359 ZCEJFFANLSQJSQ-HXUWFJFHSA-N 485.610 2.029 30 10 JEEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1CCC(C(F)(F)F)CC1 1722422908 VFMGVRFSLXRKAU-FHERZECASA-N 465.542 2.343 30 10 JEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](C)N(Cc2ccccc2)CC1 1722452222 RZNOWJUCACYWEE-VQTJNVASSA-N 490.699 2.356 30 10 JEEE C#CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CCOC)CC1 1722464432 GDOWEKCNPDUNBA-IBGZPJMESA-N 478.663 2.485 30 10 JEEE C=CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CCN1CCOCC1(C)C 1722680150 ZDVQGZHJOUSJDH-UHFFFAOYSA-N 467.574 2.344 30 10 JEEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1722683403 LCMPLZLGXUFZQU-QGZVFWFLSA-N 477.587 2.265 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1722729766 WTULFDIBRIATJQ-LJQANCHMSA-N 455.588 2.112 30 10 JEEE CC(C)c1nc(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C#N)CC2)cs1 1723130586 CHTWNNAQYOOQIC-SFHVURJKSA-N 493.659 2.174 30 10 JEEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCC[C@@H]2OC)C1 1728681484 BWWLWELYRWBKSC-ZCNNSNEGSA-N 458.588 2.150 30 10 JEEE CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1729202481 CCGSLFKIZVZWSU-UHFFFAOYSA-N 465.583 2.282 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCN1CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1740619559 KGUCZVDYJVINON-QUCCMNQESA-N 457.600 2.065 30 10 JEEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(C[S@](C)=O)cc1 1740646629 GPJCZLZKZCKROY-BNHRFMORSA-N 454.596 2.320 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H](C)N1CCC[C@H](C)C1 1740683680 CMNLQOLKTRCDLS-PMACEKPBSA-N 477.613 2.398 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@@]2(OC)CCOC2)CC1 1740692257 HPYXOVAJZWEAKP-NRFANRHFSA-N 460.376 2.268 30 10 JEEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1740712977 AVNXWMOYENODJG-UHFFFAOYSA-N 498.653 2.073 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@H](S(C)(=O)=O)C1 1740964812 VEWPTBDYHLYHTN-AWEZNQCLSA-N 488.397 2.089 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@H]1CCCOC1 1741676477 HJMNHXAGGZSJJQ-OAQYLSRUSA-N 451.575 2.037 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2C[C@H]2CCC3(C2)OCCO3)c1 1748694711 LXQXGQMJHNMFOE-IBGZPJMESA-N 453.543 2.414 30 10 JEEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1749039829 CLZOTNGLAKIDSQ-LJQANCHMSA-N 454.600 2.284 30 10 JEEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1749115864 WLORKESVKJELKB-XIRDDKMYSA-N 496.410 2.485 30 10 JEEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)OCc2ccccc2)CC1 1749210653 LGQYFOYUTKHFET-UHFFFAOYSA-N 470.574 2.468 30 10 JEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(c2nc(C)no2)CC1 1749401572 ABHJFLDLPIFFKF-SFHVURJKSA-N 493.634 2.217 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1749659227 YTYCRCCNJWKRDE-HXUWFJFHSA-N 495.447 2.372 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CC(=O)NC(C)(C)C 1749669277 FUZUSJYFQROXQI-KRWDZBQOSA-N 491.637 2.046 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](N2CCOCC2)C(F)(F)F)C1 1749708026 HGZIBXMJUKSMDD-KURKYZTESA-N 459.513 2.217 30 10 JEEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1749743713 AFCONNUUNYUKOU-HZPDHXFCSA-N 488.680 2.253 30 10 JEEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCS(C)(=O)=O)C[C@H]1NC(=O)OC(C)(C)C 1752311689 DDFQDLLIFXQQKE-MAUKXSAKSA-N 474.587 2.211 30 10 JEEE C#CCN(c1nnc(-c2ccccc2)n1CC(C)(C)N1CCC(OC)CC1)[C@@H]1CCS(=O)(=O)C1 1760184585 KNJUNIMINMSLQN-OAQYLSRUSA-N 485.654 2.461 30 10 JEEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H](c1cccc(C)c1)N1CCOCC1 1760196128 LAJSIVXORYYIRY-IGKIAQTJSA-N 477.609 2.385 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccccc2Br)n1CC(=O)NCC(F)(F)F 1760199644 CITOXTDRKGWSSA-UHFFFAOYSA-N 454.250 2.459 30 10 JEEE C=C(Cl)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](C(=O)NC)C1 1760373840 CNRCPSDVOUYFFN-HZPDHXFCSA-N 468.986 2.301 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccccc2COC)CC1 1760401775 BWQIXHIXUDNIJS-OAQYLSRUSA-N 475.615 2.208 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1760549167 XRCINJSYKLOLDJ-KSFYIVLOSA-N 477.562 2.017 30 10 JEEE CNC(=O)CC1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnn(CCOC)c2)CC1 1767733422 HKLYYCBAOFIUMH-UHFFFAOYSA-N 462.558 2.060 30 10 JEEE C=C(C)Cc1c(C)nn(CCC(=O)NCCNC(=O)[C@@H]2CC(=O)N(c3cccc(OC)c3)C2)c1C 1860305355 XNYZUVJKJGWWCS-HXUWFJFHSA-N 481.597 2.303 30 10 JEEE Nc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(S(N)(=O)=O)cc3)[C@H]2c2cccc(O)c2)c1 1862554764 KJFANRMGIJTGBP-NRFANRHFSA-N 479.514 2.400 30 10 JEEE C=CCOc1ccccc1[C@H]1C(C(=O)NCCCNC=O)=C(N)Oc2c1c(C)nn2-c1ccccn1 1864318758 DIPCBZHBCXFCFO-JOCHJYFZSA-N 488.548 2.087 30 10 JEEE CCC[C@H](NC(=O)c1ccc2c(c1)C(=O)N([C@H](C)C(=O)O)C2=O)C(=O)N[C@@H](C#N)c1ccc(C)cc1 1867490252 OQNBJXJPTREORW-NQERJWCQSA-N 490.516 2.344 30 10 JEEE C=CCN(CC=C)C(=O)[C@@H](CCSC)NC(=O)c1ccc(C)c(S(=O)(=O)N(C)C)c1 1868627939 DVTQUUXHRSXLSH-GOSISDBHSA-N 453.630 2.297 30 10 JEEE CSCC[C@@H](NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(=O)N1CCC(O)CC1 1868782110 DBXXZWHBUCIDFN-RTBURBONSA-N 464.657 2.246 30 10 JEEE CC(=O)Nc1ccc(C)c(-n2nnc(C#N)c2NC(=O)c2ccc(N3C[C@@H](C(=O)O)CC3=O)cc2)c1 1870151327 SRNOOCWNNGXQLN-INIZCTEOSA-N 487.476 2.096 30 10 JEEE C=CCn1cc(OCC(=O)Nc2c(Cl)cccc2Cl)c(=O)cc1CN1CCN(CCO)CC1 1870427922 LCUVKVLOZHKSAB-UHFFFAOYSA-N 495.407 2.469 30 10 JEEE COC(=O)c1ccc(/C=N/n2c(CCc3ccc(OC)cc3)nnc2SCC(N)=O)cc1 1874306617 HEHLGVICNXKEFA-ZMOGYAJESA-N 453.524 2.318 30 10 JEEE CC(=O)NCc1nnc(SCC(=O)N[C@H](C)c2ccccc2)n1/N=C/c1ccccc1O 1874436373 XXCSDZHDTZHHHJ-ZIFAQYRBSA-N 452.540 2.472 30 10 JEEE C=CCn1c(C(=O)N2CCN(c3ccccc3)CC2)cc2c(NCCN3CCOCC3)ncnc21 1875228019 VPLAOUIIPSFGBN-UHFFFAOYSA-N 475.597 2.324 30 10 JEEE N#Cc1nccnc1O[C@H]1CCCN(C(=O)C2CCN(C(=O)NCc3cccs3)CC2)C1 1892067779 XOWQHVPNLOOXBJ-KRWDZBQOSA-N 454.556 2.401 30 10 JEEE CC(=O)Nc1cc(S(=O)(=O)O)cc2c1C(=O)C(=NNc1ccccc1C)C(S(=O)(=O)O)=C2 2060446791 RBSPVABWZYAKJI-UHFFFAOYSA-N 479.492 2.093 30 10 JEEE CC1(C)OB(c2ccc(S(=O)(=O)NCCNOCc3ccccc3)cc2F)OC1(C)C 2255748470 CWCMBKTXUFWNOV-UHFFFAOYSA-N 450.341 2.125 30 10 JEEE CN(CCOCCNC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2255809518 YTOONRPJDXJARA-UHFFFAOYSA-N 455.386 2.056 30 10 JEEE C[C@H](CCN(C)C(=O)OC(C)(C)C)N(C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2267128567 YQWFJZOYVJAXDC-OAHLLOKOSA-N 450.389 2.437 30 10 JEEE Cc1nc(C(=O)NC[C@@H]2COCCN2C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2267166242 PLVISFOUMHYYON-CQSZACIVSA-N 467.397 2.116 30 10 JEEE CC(C)(C)OC(=O)N1CC(O)(CNC(=O)c2c(Cl)cccc2B2OC(C)(C)C(C)(C)O2)C1 2267474919 CJLDCLBXKGLRPK-UHFFFAOYSA-N 466.771 2.351 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)CC[C@H]1CO 2267484234 FYWHFOMDOYGTJQ-WMLDXEAASA-N 466.409 2.395 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N=[S@@](C)(=O)CCNC(=O)OC(C)(C)C)n1 2267494297 RDRKVOGYARCUHS-YTTGMZPUSA-N 467.397 2.452 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2ccc(Cl)cc2B2OC(C)(C)C(C)(C)O2)[C@H](O)C1 2267508930 MTIZLCOGJXOUEC-DLBZAZTESA-N 466.771 2.349 30 10 JEEE Cc1c(C(=O)NC[C@H](C)CN(C)C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267528978 IFAHMVSAQRMHSO-AWEZNQCLSA-N 450.389 2.261 30 10 JEEE CC(C)(C)OC(=O)N1CC(F)(CNS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2267712073 BONWTIIOBLZBRP-UHFFFAOYSA-N 470.372 2.223 30 10 JEEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)[C@H](C#N)C1 2267729010 DKDOZBOGXLTGDJ-CQSZACIVSA-N 483.421 2.181 30 10 JEEE C[C@@H](CCNC(=O)OC(C)(C)C)NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(O)cc1O 2267759225 LWRZVPWKMNSFOB-ZDUSSCGKSA-N 450.341 2.430 30 10 JEEE Cc1cc(C(=O)N(C)CC2(O)CN(C(=O)OC(C)(C)C)C2)sc1B1OC(C)(C)C(C)(C)O1 2271678421 KMQJDYIFBOZYJL-UHFFFAOYSA-N 466.409 2.410 30 10 JEEE CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1cccc(F)c1B1OC(C)(C)C(C)(C)O1 2281762642 ONJMIDHSYSAWBL-SJORKVTESA-N 464.343 2.489 30 10 JEEE Cc1c(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281798347 HCTRROQIKPHOSE-ZBFHGGJFSA-N 462.400 2.403 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](CNC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)CO1 2282171133 GHIVBRFLNPOGSO-JKSUJKDBSA-N 461.368 2.040 30 10 JEEE COC1(CCNC(=O)OC(C)(C)C)CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cn2C)C1 2282178293 FEASZWZPVNJLKZ-UHFFFAOYSA-N 463.384 2.080 30 10 JEEE COC[C@@]1(NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)CCN(C(=O)OC(C)(C)C)C1 2282181279 DKGZDCFEKQOISO-HSZRJFAPSA-N 461.368 2.137 30 10 JEEE C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)CCN1C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2282577801 JZVXSAGCPCFGDY-JKSUJKDBSA-N 462.400 2.485 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H](NC(=O)OC(C)(C)C)C(F)(F)F 2282587687 OXGFDOFCYPCFBS-LBPRGKRZSA-N 476.305 2.213 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@](C)(CNC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)C1 2282606999 IAHXKQZWMJBIEA-JOCHJYFZSA-N 481.424 2.446 30 10 JEEE COc1cccc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCOCCNC(=O)OC(C)(C)C 2282614824 LHMHWMOJSJLIAF-UHFFFAOYSA-N 464.368 2.266 30 10 JEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2CCN(Cc3ccccc3)C2(C)C)n1 2282620478 FVSSXSPNRBPEQQ-GOSISDBHSA-N 453.396 2.145 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](CO)[C@H](NC(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2282654193 IRFSHRQFVPNFRC-VQIMIIECSA-N 460.380 2.334 30 10 JEEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)Nc1cccc(OCc2ccccc2)c1 2282833381 HOWITQXMUREAEU-UHFFFAOYSA-N 470.360 2.494 30 10 JEEE CCCC[C@@H](CNC(=O)OC(C)(C)C)NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282859814 QYHQDZGWEBLWRK-HNNXBMFYSA-N 486.444 2.081 30 10 JEEE CC1(C)OB(c2cc(-n3cnc4c(I)ncnc43)ccc2N)OC1(C)C 2282933414 HREAUHFGJLKUPV-UHFFFAOYSA-N 463.088 2.302 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)[C@@H](NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)C2 2283057134 SFHQLFFVWBBFDT-JYJNAYRXSA-N 458.368 2.151 30 10 JEEE CC(C)(C)OC(=O)NC[C@H](CO)C(=O)N1CCc2cccc(B3OC(C)(C)C(C)(C)O3)c2C1 2284049159 RKSMTCFJZAPICL-QGZVFWFLSA-N 460.380 2.004 30 10 JEEE CC(C)(C)OC(=O)N1CC(N2CC(C(=O)NCc3cc(B4OC(C)(C)C(C)(C)O4)cs3)C2)C1 2284241608 MJTSXZGXQLHDHS-UHFFFAOYSA-N 477.436 2.215 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2C[C@@]2(CNC(=O)OC(C)(C)C)C1 2288259569 DYSYFILMJHLBON-IQMFZBJNSA-N 460.384 2.015 30 10 JEEE CCCN1C(=O)[C@@]2(C(=C(O)c3ccc(C)o3)C(=O)C(=O)N2CCN2CCOCC2)c2ccccc21 2297745884 DUDFWMMQNSNBQB-SANMLTNESA-N 479.533 2.253 30 10 JEEE 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 2312597085 YMGOCOYIDLYOCQ-IGKNDFSCSA-N 453.580 2.436 30 10 JEEE COc1ccc(C=Nn2c(COc3ccccc3OC)nnc2SCC(N)=O)c(OC)c1 2328261370 CESREJCRBMBUMZ-UHFFFAOYSA-N 457.512 2.343 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(C)[C@H](C)CCNC(=O)OC(C)(C)C)n1C 2337397778 HBTNURADTDRKSS-CQSZACIVSA-N 450.389 2.403 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CC[C@H]2C[C@H]1CN2C(=O)OC(C)(C)C 2362347097 ARMLZUMMFJZJNW-JYJNAYRXSA-N 460.384 2.237 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC2(CCCN(C(=O)OC(C)(C)C)C2)C1 2362348743 UMFGXTODCKDJMR-UHFFFAOYSA-N 460.384 2.192 30 10 JEEE COc1[nH]c(=N[C@H]2CCO[C@H](CNC(=O)OC(C)(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2365348899 WQHKQOQLNJXCLV-HOTGVXAUSA-N 463.384 2.296 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1C[C@@H]2C[C@H]1CN2C(=O)OC(C)(C)C 2366674899 OQZMIAGGIWHZRC-YQQAZPJKSA-N 460.384 2.330 30 10 JEEE CCOc1cc(/C=N/NS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc([N+](=O)[O-])c1OCC 169907754 RCVOMLHRQUGYNI-VXLYETTFSA-N 450.429 2.139 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)[C@@H](C)[S@@](=O)CC(=O)Nc3ccc(C(=O)O)cc3)cc21 586341899 VSHUOPOEPKCMDS-GSLRCMBYSA-N 470.503 2.255 30 10 JEEE COc1ccc(NC(=O)CSc2nnc(NN=Cc3cccc([N+](=O)[O-])c3)n2N)c(OC)c1 1084025793 CPGOOKAGRJGTDO-UHFFFAOYSA-N 472.487 2.094 30 10 JEEE COC(=O)C[C@H](NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)c1ccc2ccccc2c1 1141772161 BINUNJDACURNSK-NRFANRHFSA-N 451.504 2.410 30 10 JEEE N#Cc1ccc(S(=O)(=O)NCC(=O)NC2CCN(c3nc4ccccc4s3)CC2)cc1 1143820189 ARRZMXYODPPKHF-UHFFFAOYSA-N 455.565 2.231 30 10 JEEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(CC(=O)N2CCN(CC)CC2)CC1 1286312130 RJMFFSIVRDWYBK-UHFFFAOYSA-N 483.661 2.088 30 10 JEEE C#CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1286340245 YAHYGIOGZIZNLH-AVRDEDQJSA-N 465.558 2.256 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(OC(F)(F)F)cc1 1286466914 LQBFLQRRMHKEAV-KRWDZBQOSA-N 486.516 2.408 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2CCCN2CCCO[C@H](C)C2)CC1 1286484594 RZMHUXJITIVQPP-OAQYLSRUSA-N 470.593 2.252 30 10 JEEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1286535145 GASSXEXOVGKVPD-MRXNPFEDSA-N 493.406 2.336 30 10 JEEE C=CCCOCCn1c(-c2ccccc2F)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1286708797 HAXHKPYTMFLRLH-INIZCTEOSA-N 454.510 2.209 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)C(C)C 1286749369 QGWHQRAJUKEPIL-WIYYLYMNSA-N 483.660 2.272 30 10 JEEE CC[C@@H](C)N(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1291764753 GARLHWUWGPTJFP-GOSISDBHSA-N 459.620 2.019 30 10 JEEE CCOc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H](C(C)C)N2CCOCC2)cc1OC 1296762932 CFGPIEWVOGDHGY-SFTDATJTSA-N 484.601 2.438 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1CCn1c(O)nc2ccccc21)[C@@H]1CCS(=O)(=O)C1 1300485587 XHDOFQZFKTUMPH-IAGOWNOFSA-N 456.572 2.174 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H](c1ccc(C)cc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1300496713 UHCDXCMRQSWICG-ZLNRFVROSA-N 485.654 2.410 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1cnn(CC(C)C)c1C)[C@@H]1CCS(=O)(=O)C1 1300498564 LUBHEPCLIXNHBS-JOCHJYFZSA-N 481.626 2.100 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CC(=O)Nc1c(C)cccc1C)[C@@H]1CCS(=O)(=O)C1 1300499070 PCVNDRYUIFQMJT-OAQYLSRUSA-N 492.605 2.146 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2Cc2conc2COC)CC1 1300715690 BUNAXIJBRXRLCD-UHFFFAOYSA-N 494.552 2.111 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1n[nH]c(C)n1 1300805409 BUNNRWIWSSWQCB-GAJHUEQPSA-N 470.578 2.248 30 10 JEEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](c2ccc(F)cc2)C1 1300991585 VJTMKMFHLIQYIB-CTNGQTDRSA-N 493.605 2.337 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2nc(O)c(C#N)cc2C1)C(C)C 1301367492 OWFWZAUQOJOUMW-VXKWHMMOSA-N 490.612 2.463 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1301484156 CDYBAKUHYMFEJY-UHFFFAOYSA-N 462.945 2.494 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC(N(C)C(=O)OCC)CC1 1301497080 NOJJLMOQHNWXHN-UHFFFAOYSA-N 492.584 2.490 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1301514924 OATXPKQWEIDMBT-HSZRJFAPSA-N 493.612 2.495 30 10 JEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@H]1Cc1ccccc1 1301586303 KGUNWFKNZUSLBJ-FQEVSTJZSA-N 457.600 2.213 30 10 JEEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2ccccc2)C1 1301612383 YEQGHEQAEAELAU-PMACEKPBSA-N 493.655 2.108 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC1(S(C)(=O)=O)CCC1 1301970537 GLZFKDWYYQCAIU-NRFANRHFSA-N 499.685 2.206 30 10 JEEE CC(C)C(=O)NCCn1c(C2CCCC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1302466541 AYRPGRYFZDHPBQ-KRWDZBQOSA-N 451.579 2.085 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1([S@](C)=O)CCC1 1303627107 DGPCQHMJTKIKNK-ZYSBOAIWSA-N 478.644 2.235 30 10 JEEE CC[C@H](C)NC(=O)c1cccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@@](F)(C#N)C2)c1 1305625855 FJYNWYDZDUXLLW-FMKFIRIRSA-N 453.522 2.248 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2C[C@]2(O)CCCC2(C)C)c1 1358903430 WQJFPEBCCWMBAC-AREMUKBSSA-N 478.597 2.398 30 10 JEEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1csc(-c2ccccc2)n1 1358949262 XCJFCLYONFGSCS-LJQANCHMSA-N 486.623 2.047 30 10 JEEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 1358966678 UBDFTAQSMWABHW-VQTJNVASSA-N 458.584 2.280 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CCc1ccc(S(C)(=O)=O)cc1 1358992842 YILBDTZKGZZDQB-UHFFFAOYSA-N 479.562 2.115 30 10 JEEE C#CCSCCn1c(N2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)nnc1[C@@]1(OCC)CCOC1 1359061681 JONKFYRSABADKJ-MOXQZVSFSA-N 450.605 2.069 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(Br)o1 1359150780 GOMMRQIHLAFKAZ-ZDUSSCGKSA-N 494.799 2.355 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(OC)c(F)c2)CC1 1359179592 ZAJJUBCQMQJZJC-FQEVSTJZSA-N 479.578 2.209 30 10 JEEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1359207226 CZYJVORTHXPEEO-KRWDZBQOSA-N 458.530 2.268 30 10 JEEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1359303800 BDYOAZJBHFCDJW-LJQANCHMSA-N 454.575 2.161 30 10 JEEE CC(C)[C@@](C)(O)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1359653120 BHBJUXCYSRITRM-RDPSFJRHSA-N 452.559 2.257 30 10 JEEE CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)N[C@@H](C)c3cccc(C#N)c3)ccc2F)CC1 1462747739 ANDBCLBXXPGMDB-HNNXBMFYSA-N 458.515 2.041 30 10 JEEE C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCNC(=O)[C@H]1c1ccc(I)cc1 1478854392 TZTJKOQUVMCING-CWRNSKLLSA-N 455.296 2.065 30 10 JEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1C[C@]1(O)CCSC1)[C@H]1CCS(=O)(=O)C1 1507634139 LGOMNHBQIQEUJF-GHTZIAJQSA-N 481.043 2.017 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCSC2)n1 1507717191 QIOHYKXDOCBNJL-XMMPIXPASA-N 477.594 2.167 30 10 JEEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2Cc2c(CC)nn(C)c2OC)CC1 1507728285 WUYFZJLICBRUEL-UHFFFAOYSA-N 463.586 2.274 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCS(=O)(=O)C1 1508020160 LSBFLOLHROBUDD-HXUWFJFHSA-N 457.600 2.184 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C[C@@H]1CCOC1)C1CC1 1508073530 YEACEUPHFCCMFV-SFHVURJKSA-N 452.559 2.455 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CCC[C@@H]1c1nncn1C 1508074271 RGAOJXPVZZMQCR-MRXNPFEDSA-N 471.363 2.480 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1508079531 YFSBBGLSAUDVON-IEBWSBKVSA-N 471.514 2.159 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCN(C(=O)C(C)C)CC1 1508139070 CZQOSMCZGZXKPQ-UHFFFAOYSA-N 497.625 2.036 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N(C)C[C@H]1CN(CC)c2ccccc2O1 1508141872 PNBJIQJHDRVNMM-UXHICEINSA-N 489.642 2.497 30 10 JEEE C=CCO[C@@H]1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)C1 1526842331 DKYDSKJBPRBCJD-GOSISDBHSA-N 450.557 2.052 30 10 JEEE N#Cc1ccc(N2C[C@@H](C(=O)NCc3cnc(N4CCOCC4)c(F)c3)CC2=O)cc1Cl 1528264386 HITOQWHMEASQSS-INIZCTEOSA-N 457.893 2.252 30 10 JEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1ccc(COC)o1 1539071683 CVJIKXIZCWZLME-PZJWPPBQSA-N 491.614 2.495 30 10 JEEE C#CCN(C)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@]1(O)CCS(=O)(=O)C1 1539154248 NGOYBWALIMBMCQ-LJQANCHMSA-N 450.973 2.432 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H](N1CCOCC1)C(F)(F)F 1539251641 LNOLAEAVCBBJAL-LJQANCHMSA-N 461.444 2.010 30 10 JEEE C#CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCn1cccn1 1539516748 BOFPNOFAPASMJO-GOSISDBHSA-N 475.619 2.286 30 10 JEEE C=CCN(CC=C)c1nnc(COc2ccc(F)cc2)n1CC1(O)CCS(=O)(=O)CC1 1540174714 OZSVZNBNJKIHNQ-UHFFFAOYSA-N 450.536 2.114 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H](c2ccnn2C)C1 1540875356 JCOINOPLERYUOY-QGZVFWFLSA-N 453.522 2.416 30 10 JEEE C=CCOc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CCC(CC(=O)NC)CC2)cc1 1540878731 GQOYBNFLMDOULJ-UHFFFAOYSA-N 466.586 2.366 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Br)nnc1N1CCN2C(=O)CC[C@@H]2C1 1540899943 FUPSYJMCENXDFE-OAHLLOKOSA-N 494.415 2.119 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ncccc2F)CC1 1540900285 QENCQKGGVXHMKM-UHFFFAOYSA-N 481.557 2.278 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)C[C@@H]1CCCCO1 1540904845 OVLCKDCYOYPFLA-PXNSSMCTSA-N 462.572 2.397 30 10 JEEE COCCNC(=O)[C@H]1CN(C(=O)c2ccoc2)CCN1c1ccc(C#N)c(C(F)(F)F)c1 1548367871 SRNYQSRKXCQUJL-GOSISDBHSA-N 450.417 2.264 30 10 JEEE COC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCC[C@H]2C)CC1 1554565289 FLKDAPOFVXTXCP-GOSISDBHSA-N 453.547 2.101 30 10 JEEE C#C[C@H](C)N(C)C(=O)C1CCN(c2ccc(S(=O)(=O)N(CC)CC)cc2[N+](=O)[O-])CC1 1586325712 JDEXQVFXSFLCGH-INIZCTEOSA-N 450.561 2.322 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCN1CCOCC1(C)C 1587620186 BBAGPJZXWYRVTG-GOSISDBHSA-N 463.586 2.244 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CCOC[C@@H]2OC)c1 1587697263 LPVDSZWZPGSGPA-GGAORHGYSA-N 491.596 2.247 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CC(C)(C)CC=C)[C@@H]1CCS(=O)(=O)C1 1588030552 XHBCMRNHUSZEMJ-QGZVFWFLSA-N 456.572 2.154 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCCN(CC)CC)[C@H]1CCS(=O)(=O)C1 1588034884 NBNBCVYEVMRNOU-KRWDZBQOSA-N 497.463 2.394 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCC(=O)N1CCOCC1 1588084344 QLNAYLDITBLUTN-GOSISDBHSA-N 455.946 2.393 30 10 JEEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ccc(NC(N)=O)cc1 1588388254 ZLKBYRAPGHPBPQ-UHFFFAOYSA-N 459.558 2.451 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(Cl)nc2)n1C[C@]1(O)CCS(=O)(=O)C1 1588471950 AKTFPQUFYRGYCE-JOCHJYFZSA-N 489.960 2.322 30 10 JEEE C#CCN(CCOC)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@@]1(O)CCN(C)C1 1588696977 PAHPQORCRHCUBP-OAQYLSRUSA-N 468.385 2.317 30 10 JEEE C=C1CCN(c2nnc(COc3ccccc3OCC)n2CC2(O)CCS(=O)(=O)CC2)CC1 1594133630 ATKQWQJIUYFFMF-UHFFFAOYSA-N 476.599 2.352 30 10 JEEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1594733869 ZFCJHZKGLOAHAV-ZACQAIPSSA-N 453.609 2.496 30 10 JEEE C=CCCOCCn1c(Cc2ccsc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1594824630 NKBXTARLERDEKL-UHFFFAOYSA-N 460.604 2.097 30 10 JEEE C=CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1595314184 IHJQHMOXPBURCV-UHFFFAOYSA-N 460.542 2.154 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCC(C(N)=O)CC1 1595500721 CTVAULGRCXRHGH-UHFFFAOYSA-N 464.526 2.121 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCS[C@@H](C)[C@@H]1C 1595537422 QUSSTJUUHJIMJE-HOTGVXAUSA-N 467.599 2.307 30 10 JEEE O=C(c1cccc(C(F)(F)F)c1F)N1CCC(NS(=O)(=O)NCC(F)(F)F)CC1 1625566713 DZKUTDRFQPYFGD-UHFFFAOYSA-N 451.364 2.435 30 10 JEEE C=CCCOCCCCC(=O)N1CCCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1631582704 DJKZHLCPYGVTKN-UHFFFAOYSA-N 452.573 2.444 30 10 JEEE C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c1ccc(C(C)(C)C)cc1 1643214384 YRGIODSEXGTGGC-SXLOBPIMSA-N 450.601 2.225 30 10 JEEE C#CCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(Br)cc2[N+](=O)[O-])cc1 1643638070 UQHFJCLCXMWXIK-UHFFFAOYSA-N 452.286 2.199 30 10 JEEE COC(=O)[C@@H](c1cccc(Br)c1)N(C)CCS(=O)(=O)c1ccc(C#N)cn1 1652927542 DYYZIEYZTNIWEE-QGZVFWFLSA-N 452.330 2.336 30 10 JEEE CCOC(=O)c1cc(S(=O)(=O)N2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)cn1C 1663136287 HLCDDXRVBXDZPM-IBGZPJMESA-N 450.948 2.426 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)Nc3ccccn3)n2CCCn2cccn2)c1 1689868737 PSKYVNPYJIBHHL-UHFFFAOYSA-N 483.536 2.268 30 10 JEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCNC(=O)c1occc1C 1689949130 RCRDFKFIXBDGKW-UHFFFAOYSA-N 483.598 2.338 30 10 JEEE C#CCN(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@H]1CCN(S(C)(=O)=O)C1 1689949567 IXWLSGFPRLCHRW-ZDUSSCGKSA-N 470.368 2.198 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@H]1CC(F)(F)CO1)[C@@H]1CCS(=O)(=O)C1 1689983401 AVJGKCIESZUBBY-SJLPKXTDSA-N 466.510 2.005 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1CCc1ccc(NC(C)=O)cc1)[C@H]1CCS(=O)(=O)C1 1689986544 SDNAMPMHGJXFDY-NRFANRHFSA-N 480.594 2.111 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1cccc(NC(C)=O)c1)[C@H]1CCS(=O)(=O)C1 1689990618 QNCANPBEWMITEI-SFTDATJTSA-N 471.583 2.153 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1cccc(NC(=O)OC)c1)[C@@H]1CCS(=O)(=O)C1 1689990883 SVMMQTDMJXMXLK-AZUAARDMSA-N 487.582 2.025 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCOc2ncccc2Cl)CC1 1690113746 STZBXQLMDMZRAE-HSZRJFAPSA-N 474.993 2.201 30 10 JEEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccccc2COCCC)CC1 1690131107 UGDYXAVXFDOKJH-UHFFFAOYSA-N 450.587 2.131 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)CC1 1690136686 IFODYUNBYADEOW-PXNSSMCTSA-N 468.577 2.241 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2C[C@@H](OC)C(C)C)CC1 1690140294 UBYQLYGAZOWELH-OAQYLSRUSA-N 453.543 2.311 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCN(CC(F)(F)F)CC1 1690250889 MSQZEMMRXCWJEQ-APWZRJJASA-N 456.513 2.066 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(N(C)C)CCCCC1 1690597116 JYILBLORLHZOMR-LJQANCHMSA-N 466.652 2.054 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H](CN2CCCCC2)C1 1690663075 LJCPYQKXMXSCNU-GOSISDBHSA-N 453.547 2.468 30 10 JEEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H](Cc2ccc(C#N)cc2)C1 1690675032 NZCZQBXBFVTPCD-OAQYLSRUSA-N 461.570 2.033 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1690676221 TXUFNVDMJNNXPA-GOSISDBHSA-N 456.547 2.183 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC(O)(Cc2cccc(C)c2)CC1 1690724436 OWHJCDVHCRGHFW-OAQYLSRUSA-N 474.627 2.265 30 10 JEEE CC(C)Cc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CCN1CCOC[C@H]1C 1692227955 GDBLIVUHBGUWKJ-OAQYLSRUSA-N 451.619 2.391 30 10 JEEE COCCN(CCC#N)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H]1CCOC[C@H]1OC 1698060591 DAAITAVAZSEIEO-WMQCIHAUSA-N 457.531 2.209 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(OC)ccc2Br)n1C[C@]1(O)CCO[C@H]1C 1705576492 LRBCIOYEVLZNEV-YCRPNKLZSA-N 459.344 2.329 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CC1(N2CCOCC2)CCCCC1 1705588528 AOLUESBMNWPQNS-UHFFFAOYSA-N 475.597 2.423 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CCc1cnc2c(Cl)cnn2c1 1705588976 IIPUOUDQZQSNJS-UHFFFAOYSA-N 473.928 2.327 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](C)c2ccc(C)cc2)CC1 1705650926 CVPJDUHUIVPBDR-FQEVSTJZSA-N 462.598 2.478 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cn(C)c4ccccc34)n2CCS(=O)(=O)N(C)C)C1 1705918927 SUFPKPJCLVKKDC-KRWDZBQOSA-N 458.588 2.110 30 10 JEEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2ccccc2)C1 1705939658 IYMMWJTVKARUOM-AEFFLSMTSA-N 451.618 2.385 30 10 JEEE CC(C)c1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1CCCn1cc(CO)nn1 1706314710 ICFMLECGWIYLDK-UHFFFAOYSA-N 469.981 2.427 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCN(C)[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1722358933 GYNJJQXXDLMCNX-GHTZIAJQSA-N 454.600 2.174 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@](C)(O)c2ccco2)CC1 1722432674 CDAKSQIIFCNXFS-HXUWFJFHSA-N 459.348 2.292 30 10 JEEE C#CCSCCn1c(-c2ccccc2Cl)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1722457342 XCLYNGIHIDUHMA-UHFFFAOYSA-N 458.975 2.486 30 10 JEEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1722459368 IXDFJFDBJYNRRS-KRWDZBQOSA-N 496.684 2.162 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(-n2cccn2)cc1 1722467008 KENBMQCTBYTZLD-VGOFRKELSA-N 453.572 2.114 30 10 JEEE C=C(C)COCCn1c(-c2cc3ccccc3o2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1722531671 WKTHSDOUEGZLIW-UHFFFAOYSA-N 480.569 2.457 30 10 JEEE C=CC1CCN(c2nnc(-c3cccc(C)n3)n2CCNS(=O)(=O)Cc2ccon2)CC1 1722578396 KCXIASIKTXFOMD-UHFFFAOYSA-N 457.560 2.159 30 10 JEEE C=CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@]2(CCOC2)C1)c1ccccc1 1722595704 YLSYMDTYSZFLRS-KKLQWCBXSA-N 475.615 2.244 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1722722349 NEKRTEKLKCITOY-XLIONFOSSA-N 479.578 2.059 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1722724634 BVRBTMIHWOHUHL-QGZVFWFLSA-N 463.579 2.494 30 10 JEEE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3ccc(C#N)cc3)n2CCCCN2CCC[C@@H]2CO)C1 1722754165 HTIPEYQVFPJSIX-LADGPHEKSA-N 479.629 2.358 30 10 JEEE Cc1ccc(-c2nc(Cn3c([C@@H]4CN(S(C)(=O)=O)CCO4)nnc3N(C)[C@H](C)CC#N)co2)cc1 1724280278 ARBPKUXAVWYOLH-XLIONFOSSA-N 499.597 2.361 30 10 JEEE Cc1nccn1-c1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCS(C)(=O)=O)cn1 1725662453 HIISENPXJZEWRA-UHFFFAOYSA-N 476.566 2.235 30 10 JEEE CCOC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2CCN(C(C)=O)CC2)CC1 1728696615 BHLIFFWLBHJUSR-UHFFFAOYSA-N 465.558 2.354 30 10 JEEE C#CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CCOC)CC1 1740575914 WPBIIMCAWUQDID-FQEVSTJZSA-N 476.622 2.158 30 10 JEEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1740577407 CFFGMAGVNUUTKW-QGZVFWFLSA-N 455.588 2.113 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC[C@@H](OCC)C1CCCC1)[C@H]1CCS(=O)(=O)C1 1740628549 YRMGYTRBNIAQSG-QHAWAJNXSA-N 464.632 2.394 30 10 JEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1CSCCS1 1740631342 ARHPEGWUGWXITC-KRWDZBQOSA-N 474.681 2.468 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(c2ccc(F)cc2)CCOCC1 1740645606 JENLVZBGDHLRCP-LJQANCHMSA-N 487.601 2.239 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1([S@](C)=O)CCC1 1740655557 CXRPZUBFFJSULW-WAUFSOIDSA-N 489.642 2.351 30 10 JEEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@@H](C(C)C)N2CCOCC2)CC1 1740698917 PWSGBBBUAXWPIS-VWLOTQADSA-N 480.657 2.184 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)cn3C)n2CCSCC#C)CC1 1740703455 TUNHKMAYSHTONA-UHFFFAOYSA-N 489.443 2.378 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(C(C)(C)O)cc2)CC1 1740706116 PVNZASIGCBEWES-NRFANRHFSA-N 465.598 2.414 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](CC)NC(=O)OC(C)(C)C 1740730537 BJVBNVKLVUWWGX-GSHUGGBRSA-N 465.620 2.476 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](CNC(C)=O)C1 1740751630 MYYCQXXLISTJCU-DYXWJJEUSA-N 467.574 2.259 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1740799634 QNIHJKNKABPWDB-CEXWTWQISA-N 474.606 2.262 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCCCS2)CC1 1740839645 MNNNWXNAVLLFQV-QZTJIDSGSA-N 455.650 2.299 30 10 JEEE C=CCCOCCn1c(N2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)nnc1[C@@]1(OCC)CCOC1 1740888042 HQOAMQJIJFGZSY-TWRVUUBYSA-N 450.580 2.296 30 10 JEEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCNC(=O)C(C)(C)C 1740899437 BNOYAECGYQFNGB-MRXNPFEDSA-N 450.584 2.371 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1ccc(C(N)=O)cc1 1740953577 KTGIODABYNBKOF-UHFFFAOYSA-N 472.347 2.073 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1740994069 LZXKWNMOQAGFKM-ZWKOTPCHSA-N 464.563 2.460 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1740994741 SWWJEXAVJDCHSL-HXUWFJFHSA-N 474.627 2.438 30 10 JEEE C#CCN(c1nnc(-c2ccccc2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1748809931 RBJJZZDZJWWOBB-JAXLGGSGSA-N 485.654 2.460 30 10 JEEE C#CCN(c1nnc(COc2cc(C)ccc2C(C)C)n1Cc1nncn1C)[C@@H]1CCS(=O)(=O)C1 1748820935 JLTBIQYHBFGTMK-LJQANCHMSA-N 497.625 2.092 30 10 JEEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1cccnc1OCC(F)F 1748917342 VPTOFQCTQGJIBU-UHFFFAOYSA-N 465.468 2.468 30 10 JEEE C#CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@]1(O)CCC[C@@H]1C 1748949603 FXBWXQRBUDUDNE-GAJHUEQPSA-N 474.631 2.184 30 10 JEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)CC(=O)N(C)[C@H](C)c1ccccc1 1749033219 BARYTXGDXBKAQG-MJGOQNOKSA-N 454.600 2.251 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](CC(N)=O)C1 1749135061 CHDYQPHRNJZCBI-FIKGOQFSSA-N 472.615 2.343 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCS(=O)(=O)C1 1749574696 CPIRLGXMBFYIOM-QZTJIDSGSA-N 481.619 2.200 30 10 JEEE C=CCn1c(CC2CCCC2)nnc1N1C[C@@H]2[C@H](C1)[C@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1749638149 ZGEMBLQHBOJDAH-KZNAEPCWSA-N 465.620 2.323 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1749652365 MGXIXBOVRKXWBP-PBHICJAKSA-N 464.364 2.250 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2ccc(F)c(F)c2)C1 1749712686 KVQBPTHXNVPSAQ-DLBZAZTESA-N 452.527 2.482 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1749723996 FOXNXCMGQANVGZ-SFHVURJKSA-N 479.006 2.240 30 10 JEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCSC2(CCCCC2)C1 1749738795 XVMZJICKHLEIEY-UHFFFAOYSA-N 467.661 2.257 30 10 JEEE CC(=O)N[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C(C)C)N2CCOCC2)C1 1749949116 ACYXCRWGSZSHEC-VWNXMTODSA-N 495.628 2.190 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1CC[S@@](=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1760193072 SHUHLYDCSCGUMR-UJQZNKFNSA-N 496.630 2.170 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H]1NC(=O)CC1(C)C 1760243092 VBKWJHUKUMZMSW-LJQANCHMSA-N 452.559 2.148 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(F)cc2Br)n1C[C@]1(C)CN(C)C1=O 1760246418 YBFBKUQZLPZWGM-FQEVSTJZSA-N 464.339 2.411 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCOc2cccc(Cl)c2)CC1 1760256533 HRXODCITJXXTPA-QHCPKHFHSA-N 459.978 2.418 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCCNC(=O)C2CCC2)CC1 1760258586 PBAVFQLILUPABR-UHFFFAOYSA-N 466.586 2.024 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC2([S@](C)=O)CCC2)CC1 1760267268 XTAWSVOPWVSPSO-DHUJRADRSA-N 499.637 2.229 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CC(C)(C)N2C[C@H](C)O[C@H](C)C2)CC1 1760271782 LTSTWLQMOLGAJQ-KDURUIRLSA-N 456.635 2.084 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cn4ccccc4n3)n2CCSCC=C)CC1 1760271983 UKDZTXPIHLTTHL-UHFFFAOYSA-N 463.611 2.402 30 10 JEEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 1760341545 IGFLXXGGVNFIEV-CQSZACIVSA-N 482.010 2.368 30 10 JEEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)c2ccco2)CC1 1760360675 JWCGNWDDBAUZNW-ICSRJNTNSA-N 459.547 2.150 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1cc(Cl)ccn1 1760557541 ORDKZHWILOWWBJ-UHFFFAOYSA-N 463.995 2.425 30 10 JEEE CNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(NC(C)=O)nc2)C1 1767654483 DRWYIZCNAFDXFH-HXUWFJFHSA-N 458.526 2.181 30 10 JEEE CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 1768462411 AALAGGXUMXVKDA-SFHVURJKSA-N 483.573 2.263 30 10 JEEE CS(=O)(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC2(O)CCC2)CC1 1770325205 HICHXFJXFBRFNC-UHFFFAOYSA-N 459.572 2.047 30 10 JEEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(C(=O)O)cc1 1862757920 SMNKSZHJTIFDCU-SFHVURJKSA-N 453.407 2.007 30 10 JEEE COc1ccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2CCNC(C)=O)cc1OC 1862759676 WWSGZBSGLXTBQY-HXUWFJFHSA-N 469.450 2.326 30 10 JEEE COCCN1CC(=O)C(c2nc(C)cs2)=C1NC(=O)c1ccc2c(c1)C(=O)N(CC(C)C)C2=O 1873710602 LVASWKSRORSJKB-UHFFFAOYSA-N 482.562 2.333 30 10 JEEE COC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)(C)C)C2)n1/N=C/c1ccc2c(c1)OCCO2 1874277158 LLPYSFAPTFMBOI-QCXKMSLLSA-N 473.555 2.311 30 10 JEEE NC(=O)CSc1nnc(Cc2ccccc2)n1/N=C/c1cc2c(cc1[N+](=O)[O-])OCCO2 1874417547 NEWHLNPMJJSDMN-SSDVNMTOSA-N 454.468 2.008 30 10 JEEE C=CCn1c(C(=O)N2C[C@H](C)O[C@H](C)C2)cc2c(NCc3ccc(S(N)(=O)=O)cc3)ncnc21 1875229965 JDEAMDFFFSTUMJ-IYBDPMFKSA-N 484.582 2.126 30 10 JEEE CC(C)N1C(=O)CS[C@@H](C(=O)NCC2(OCCO)CCSCC2)[C@@H]1c1ccc(C#N)cc1 1890252147 YNEHOGDNHSYDLE-LEWJYISDSA-N 477.652 2.343 30 10 JEEE COC1CCN(C2CN(C(=O)[C@H]3SCC(=O)N(C(C)C)[C@@H]3c3ccc(C#N)cc3)C2)CC1 1892046556 RMSGPCIPAPYRIP-PKTZIBPZSA-N 456.612 2.273 30 10 JEEE C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@]1(C(=O)O)CC[C@H](CNC(=O)OC(C)(C)C)C1 2059567926 GTCSVBHXUGMSSJ-AYSMAOOMSA-N 453.536 2.167 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H]1NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2255802952 HRRKSMNGFGSFOZ-LSDHHAIUSA-N 472.438 2.380 30 10 JEEE CC(C)(C)OC(=O)N1CCC12CN(S(=O)(=O)c1cc(B3OC(C)(C)C(C)(C)O3)cs1)C2 2255949247 WVJKYNZARXFWOK-UHFFFAOYSA-N 470.422 2.431 30 10 JEEE Cc1cc(CNC(=O)[C@@H](O)[C@H](C)NC(=O)OC(C)(C)C)sc1B1OC(C)(C)C(C)(C)O1 2256626235 HMTGSXIBCSWRKX-ZFWWWQNUSA-N 454.398 2.246 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1NC(=O)c1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2266974124 NYXUEAPDIHQTOY-DLBZAZTESA-N 450.316 2.147 30 10 JEEE CC(C)(C)OC(=O)NCC[S@](C)(=O)=NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1O 2267687582 OECOSVSWUOPQDA-YTTGMZPUSA-N 468.381 2.454 30 10 JEEE CC1(NS(=O)(=O)Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CN(C(=O)OC(C)(C)C)C1 2267708541 LLJDSDVPTZITKO-UHFFFAOYSA-N 466.409 2.415 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H]1CNS(=O)(=O)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2267708795 QMLWIVQAGCQTMG-SFHVURJKSA-N 466.409 2.415 30 10 JEEE C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(F)c(F)c1B1OC(C)(C)C(C)(C)O1 2268643442 KIZSYJIXJNMPDC-MEDUHNTESA-N 456.295 2.477 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1COC[C@@H]1NC(=O)c1cccc(F)c1B1OC(C)(C)C(C)(C)O1 2281783546 MASWQVGVTRKESG-YOEHRIQHSA-N 464.343 2.394 30 10 JEEE Cc1cnc(C(=O)N[C@@H]2COCCN(C(=O)OCc3ccccc3)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2281954776 CRQLGPWVJXBFFA-FQEVSTJZSA-N 495.385 2.457 30 10 JEEE 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)F 2281985650 LFTOLZLQWHPJRW-AAEUAGOBSA-N 474.289 2.237 30 10 JEEE CC(C)(C)OC(=O)N1CC2(CC[C@H](CNC(=O)c3ncsc3B3OC(C)(C)C(C)(C)O3)O2)C1 2282024968 IIYXFIQTAFDLQO-CQSZACIVSA-N 479.408 2.341 30 10 JEEE CN(C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)[C@H](CNC(=O)OC(C)(C)C)C(F)(F)F 2282028342 CRNZZNTVLPJGRU-CYBMUJFWSA-N 474.289 2.303 30 10 JEEE Cn1nc(C(=O)N[C@@H]2CCOC[C@@H]2OCc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2282034560 JSAGUHMXWOZBAK-SJORKVTESA-N 475.782 2.477 30 10 JEEE CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H]2NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2282104816 BDRMXUULGYCDIZ-INIZCTEOSA-N 458.368 2.295 30 10 JEEE CCn1cc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2F)nc1B1OC(C)(C)C(C)(C)O1 2282539416 TVYWULBWBCIJPX-LSDHHAIUSA-N 466.363 2.280 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@@]2(C1)C(=O)NCCN2C(=O)C1(B2OC(C)(C)C(C)(C)O2)CC1 2282543589 PGZFXFAWUNSIRD-HSZRJFAPSA-N 463.384 2.341 30 10 JEEE Cn1ncc(CNC(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)c1NC(=O)OC(C)(C)C 2282676665 NPSAYVPQVSXDMV-UHFFFAOYSA-N 457.340 2.391 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(C(=O)N[C@@]2(CO)CCN(C(=O)OC(C)(C)C)C2)c1 2282683370 CFNNXMUZFVSQAK-DEOSSOPVSA-N 460.380 2.396 30 10 JEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)s2)[C@H]1OC 2284042913 WPZNYIKYOHALFK-SNPRPXQTSA-N 483.396 2.030 30 10 JEEE Cc1ccc(CNC(=O)[C@H]2COC[C@H]2NC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2296180518 OAGQEVNHHZYYRY-PKOBYXMFSA-N 460.380 2.450 30 10 JEEE CN[C@@H](C#Cc1cccc(Br)c1)[C@@]1(NC(=O)OC(C)(C)C)CCS(=O)(=O)C1 2296220519 YVROELDZESVXIR-QFBILLFUSA-N 457.390 2.471 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCCN(C(=O)OCc2ccccc2)C1 2315536101 BYUKWIYZTHWMKO-SFHVURJKSA-N 468.363 2.250 30 10 JEEE COc1ccc(N2C[C@H](c3nnc(S)n3N=Cc3cc([N+](=O)[O-])c(O)cc3O)CC2=O)cc1 2322274367 QPNSCCXRUSLNQA-GFCCVEGCSA-N 470.467 2.298 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1CCc2scc(B3OC(C)(C)C(C)(C)O3)c2C1 2361640448 SDDQZMHCIBOAKF-WMLDXEAASA-N 478.420 2.302 30 10 JEEE CC(C)(C)OC(=O)N[C@@]1(C)CN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)CC1(F)F 2361915863 KVXFHVYJADGCFZ-FQEVSTJZSA-N 468.310 2.150 30 10 JEEE COc1nc(N2CCC[C@](O)(CNC(=O)OC(C)(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2365344007 IDOZWZBEVPFAMJ-QHCPKHFHSA-N 463.384 2.245 30 10 JEEE Nn1c(N/N=C/c2cccnc2)nnc1SCC(=O)Nc1ccc(I)cc1 20292588 VUFWQDOQHMFSCB-AWQFTUOYSA-N 494.322 2.168 30 10 JEEE COc1cccc(NC(=O)CSc2nnc(N/N=C/c3ccc(OC)c(OC)c3)n2N)c1 20292789 AVBWQBUBFGSMKB-SSDVNMTOSA-N 457.516 2.195 30 10 JEEE N#Cc1cnn(-c2ccccc2)c1NC(=O)COC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 110531440 FBTHXZOJVXRMMM-UHFFFAOYSA-N 493.545 2.327 30 10 JEEE Cc1ccc([N+](=O)[O-])cc1-c1ccc(C=NNc2nc(N3CCOCC3)nc(N3CCOCC3)n2)o1 254512887 CGDZDQMKVAKQOK-UHFFFAOYSA-N 494.512 2.467 30 10 JEEE COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(C)c2)c(=O)n1Cc1ccccc1 520624525 LIUBAIQTJLWJGX-UHFFFAOYSA-N 465.550 2.061 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)[C@H](C)[S@](=O)[C@@H](CC)C(=O)OCCOCC)cc21 586355328 FSNVWZILQCJCEB-PFUDXUENSA-N 451.541 2.276 30 10 JEEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1CCc1ccc2c(c1)OCCO2 608855262 FIWDQXBQSLLKEL-UHFFFAOYSA-N 489.597 2.343 30 10 JEEE N#CCCCOc1cccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(Cc3ccccc3)c2=O)c1 608855718 XPQRRZLFWRXGTE-UHFFFAOYSA-N 484.581 2.422 30 10 JEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCC(=O)Nc1cc(Cl)ccc1Cl 1135641565 GMSZDFZPTULGMK-LLVKDONJSA-N 455.323 2.287 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NS(=O)(=O)c2cccc(Br)c2C#N)C1 1211464096 IEIATLIJIITQIA-FZMZJTMJSA-N 455.334 2.358 30 10 JEEE C=C(Cl)C[C@@H](NS(=O)(=O)c1c(C)cc(C)c(NS(C)(=O)=O)c1C)C(=O)OCC 1213383467 QQTNZTDQVZHNCU-CQSZACIVSA-N 452.982 2.336 30 10 JEEE CC(=O)N[C@@](C)(C(=O)NCCSCc1ccccc1C#N)c1ccc(S(C)(=O)=O)cc1 1264300900 UAZRGMSMTQMHCJ-JOCHJYFZSA-N 459.593 2.363 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2CC(C)(C)O)c1 1286308722 LWHFZUDQLJFKOE-DEOSSOPVSA-N 455.559 2.146 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2C[C@@H]2CCOC[C@@H]2OC)c1 1286311681 PICJBWUQMGXGNG-REWPJTCUSA-N 474.565 2.372 30 10 JEEE C#CCN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C/C=C/CC)[C@@H]1CCS(=O)(=O)C1 1286381936 PTNNZNPPIOKCET-ZMBJWTFHSA-N 476.002 2.454 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccccc1COCCC)[C@@H]1CCS(=O)(=O)C1 1286392675 JFMGIDCBDJPVDD-FGZHOGPDSA-N 472.611 2.384 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCc1nc(C)no1 1286408971 MPGRZVYBKSMTJL-UHFFFAOYSA-N 456.510 2.072 30 10 JEEE C#CCN(CCOC)c1nnc(Cn2ccc3ccccc32)n1C[C@H]1CCCS(=O)(=O)C1 1286468536 AGIFKZOOMABJQC-LJQANCHMSA-N 455.584 2.192 30 10 JEEE C#CCN1CCN(c2nnc(-c3noc4c3COCC4)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)CC1 1286478756 FSAHBCYYSRSNRW-KRWDZBQOSA-N 485.589 2.016 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccc(OCC)cc2)CC1 1286488385 NCYMVIYIGRYCON-AREMUKBSSA-N 481.597 2.343 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC(C)(C)C(=O)NCC)CC1 1286489481 UWAIRKMXPUTWFV-UHFFFAOYSA-N 496.612 2.090 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCC[C@@H]2C)CC1 1286492072 FZMGPVNKYDWUMG-FQEVSTJZSA-N 475.597 2.179 30 10 JEEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H]2CCCC[C@H]2C1 1286609291 ZRCJLOHNGJNRMW-UFYCRDLUSA-N 467.636 2.220 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1nccs1 1286672730 QOHXSXWPGHPLBG-HNNXBMFYSA-N 454.622 2.306 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1286818341 VXXKLSYTJVXXIW-RXVVDRJESA-N 459.616 2.478 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1286824040 UIUBXOUGKWYVBJ-FQEVSTJZSA-N 496.655 2.170 30 10 JEEE Cc1ccc(Cn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CCO[C@H](C#N)C2)c(=O)n1C 1289678391 BCYIPOHQPIYUAR-UYAOXDASSA-N 497.600 2.177 30 10 JEEE COc1ccccc1Cc1nnc(N2CCO[C@H](C#N)C2)n1CCNC(=O)c1cccs1 1300573457 GWCSDHNFKJZIAP-QGZVFWFLSA-N 452.540 2.098 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccoc1C 1300885023 NNXWFIZSFAJJSC-AQNXPRMDSA-N 479.603 2.130 30 10 JEEE C=CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1301196591 FDRIKXOKLVKFNN-UHFFFAOYSA-N 467.961 2.484 30 10 JEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccc(OC)c1)C1CC1 1301326641 DSWGITNWCLBEFB-HXUWFJFHSA-N 461.588 2.017 30 10 JEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(F)ccc1F)C1CC1 1301327301 PTGYMOMJXBZWRA-GOSISDBHSA-N 453.515 2.092 30 10 JEEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(C)n2)n1C[C@]1(O)CCS(=O)(=O)C1 1301362628 HCRLKEHIYBOYQS-OAQYLSRUSA-N 459.597 2.452 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1301424803 OSDJLVURLIMPCB-AQNXPRMDSA-N 467.636 2.363 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@H](CF)c1ccc(Br)cc1 1301497684 ANOJQGKRIDOQRR-JKSUJKDBSA-N 479.354 2.441 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(C)n(C)c2=O)C1 1301567432 WJYZVLWBXPICHM-GOSISDBHSA-N 468.583 2.106 30 10 JEEE CN(C)[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1)C1CCCCC1 1314653627 GGCDPAQWDCCCIF-JOCHJYFZSA-N 486.642 2.474 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCOC1CCOCC1 1358885812 RGAUJUVHFYBJFE-KRWDZBQOSA-N 450.543 2.236 30 10 JEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC#C)Cc1ccc(F)cc1 1358913229 IZQDYIIFJLDWMW-NRFANRHFSA-N 473.574 2.193 30 10 JEEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1C[C@@H]1CCC=CO1)[C@H]1CCS(=O)(=O)C1 1358967218 GEHFLLAWLRZWKG-RXVVDRJESA-N 472.567 2.185 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1358968799 ZQSSLAJYEGEQDU-HXUWFJFHSA-N 488.514 2.483 30 10 JEEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCCN2CCN(CC)CC2)CC1 1359038464 XJNYJFQUCZHHBH-UHFFFAOYSA-N 479.673 2.257 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@@H]2COCCO2)CC1 1359041680 FGHBFNPABLQLGX-OAHLLOKOSA-N 494.415 2.150 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H](C)N(C)C2CC2)CC1 1359042597 MNTZWWSMKKWRIA-GOSISDBHSA-N 480.613 2.411 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2Cc2nccc(C(F)F)n2)CC1 1359043993 QNYKOBRTVACJHK-UHFFFAOYSA-N 452.469 2.082 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2Cc2csc([C@@H](C)OC)n2)CC1 1359046146 GRCSJEYUZFVTHR-QGZVFWFLSA-N 479.610 2.442 30 10 JEEE C=C(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](COCC)C1)c1ccccc1 1359138849 GAICDHZHKLOQCI-FPOVZHCZSA-N 475.615 2.187 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cccc(C(F)(F)F)n2)CC1 1359164957 DGTLEKRAQJCRDN-INIZCTEOSA-N 486.520 2.230 30 10 JEEE C=CCCOCCn1c(Cc2ccccc2F)nnc1N1CCCN(S(C)(=O)=O)CC1 1359228871 RKVQBPDEUINFNP-UHFFFAOYSA-N 451.568 2.072 30 10 JEEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1359240126 GNULJJZSDVSUAS-NRFANRHFSA-N 481.649 2.017 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(C(N)=O)CCCC1 1359254979 KGLVLPXUSWJZOI-IBGZPJMESA-N 487.626 2.427 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC(Oc2ccc(F)cc2F)CC1 1359291542 VAYZQJNLKOUKTQ-UHFFFAOYSA-N 462.501 2.045 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N(CCO)Cc1cc(Br)ccc1F 1359299692 LEWVTELDYGDVSX-OAHLLOKOSA-N 496.381 2.375 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCc2sccc2C1 1359335970 ACKFCLLLLJQFNA-WMZOPIPTSA-N 452.602 2.227 30 10 JEEE CC(C)(C)NC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1359552141 FCHSYWHYXQVYQS-JOCHJYFZSA-N 495.628 2.335 30 10 JEEE CCCN(CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](C(=O)NC)C1)C(=O)OC(C)(C)C 1500864170 BXBLEVYJKHCKRS-HXUWFJFHSA-N 497.600 2.415 30 10 JEEE CNC(=O)[C@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1CCN1CCC(C)CC1 1503713620 FXZMHNOQBRFYOD-LJQANCHMSA-N 453.591 2.279 30 10 JEEE C#CCN(c1nnc(COCC)n1Cc1ccc(-n2ccnc2C)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1507639575 ZRWFXMTXSGCQJH-LJQANCHMSA-N 486.573 2.123 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)c(OCC)c1 1507670038 XSLAORUMVKMPFH-LJQANCHMSA-N 456.568 2.099 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@](C)(O)c2ccco2)CC1 1507718320 OFTSOYRKTJQHKR-VWLOTQADSA-N 481.553 2.227 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCCc2c[nH]nc2C)CC1 1507729969 MQTBQFVAAFOBPN-OAQYLSRUSA-N 498.632 2.006 30 10 JEEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1507779380 NPHBEIVODUQRAI-QZTJIDSGSA-N 471.444 2.127 30 10 JEEE C=CCN(c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@]1(O)CCS(=O)(=O)C1)C1CC1 1507992668 DAWRZRRBIYTKGQ-HXOBKFHXSA-N 495.646 2.097 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1508074501 SOVINUHNUCTWHA-SFHVURJKSA-N 470.375 2.186 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1508119498 WTFVNCNBMUACQS-MOPGFXCFSA-N 491.614 2.168 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CCC[C@@H](n2cncn2)C1 1508144859 YJZDIMKVNYRWFS-LJQANCHMSA-N 471.587 2.199 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CCCN(C)C1CCCCC1 1510172540 DLCMLJJTYLTVNW-QGZVFWFLSA-N 451.641 2.283 30 10 JEEE Cc1ccc(-c2nnc(N3CCCN(Cc4ccc(C#N)cc4)CC3)n2CCS(=O)(=O)N(C)C)o1 1510811678 BCDFKJHSMWFQLR-UHFFFAOYSA-N 497.625 2.322 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@H]2CC[C@@H](F)C2)CC1 1539451864 CJZWHGCSKXPGSO-AQNXPRMDSA-N 476.597 2.480 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2C[C@](C)(O)c2ccco2)CC1 1539483376 YLNMASSSQBXIEY-VWLOTQADSA-N 465.529 2.475 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCOC[C@H]2C)CC1 1539489759 XDGSZTDDORPCCE-DENIHFKCSA-N 476.581 2.367 30 10 JEEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1539577057 FESONVQPGYBMPR-UHFFFAOYSA-N 491.350 2.053 30 10 JEEE C=C1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CC(=O)NCC(F)(F)F)CC1 1539842586 NFHAIYSJMNNKPS-UHFFFAOYSA-N 461.448 2.027 30 10 JEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CN(C)C(C)C)CC1 1540005871 OZHBCLNTVDAMKB-HXUWFJFHSA-N 468.668 2.134 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCN1CCCS1(=O)=O 1540853168 PWUZUZOLFMESCH-SFHVURJKSA-N 498.650 2.024 30 10 JEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1ccc(OC)c(OC)c1 1540858041 CRTQRZQSJUNUIO-FXAWDEMLSA-N 477.587 2.156 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1540862531 CYAAUXLWYBDCRL-SJLPKXTDSA-N 458.538 2.164 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1540862582 FKXYKDKXPCDAGT-PMACEKPBSA-N 486.592 2.408 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1540864395 YLQJJSYPXWQLOT-HNNXBMFYSA-N 490.406 2.081 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1540875131 CCEMMAKABLHIAD-KSFYIVLOSA-N 461.950 2.197 30 10 JEEE C=CCNC(=O)Cn1c(N2C[C@H](c3ccc(F)cc3)O[C@H](C)C2)nnc1[C@]1(OCC)CCOC1 1540876529 UVEPQQYYTVGUHO-PWAGRJGVSA-N 473.549 2.338 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CC[C@H](S(C)(=O)=O)C1 1540899262 ISCDSAUJJPBCAH-RDJZCZTQSA-N 498.696 2.356 30 10 JEEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 1540913114 IQTAIXLKBVDCAM-TZIWHRDSSA-N 486.690 2.415 30 10 JEEE C[C@H]1CN(CCCn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@](C)(C(N)=O)C2)C[C@@H](C)O1 1545093552 FKBYWNDWFJBTKK-NXMSCROESA-N 451.575 2.018 30 10 JEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)OC2CCCC2)c1 1566356046 RNTZPGMQOBXBMY-QFIPXVFZSA-N 454.548 2.425 30 10 JEEE C#CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1587769572 JOVPKMCTXBXSAN-QYZOEREBSA-N 472.590 2.105 30 10 JEEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1587812825 CXQMFENMAKCFSZ-UHFFFAOYSA-N 483.436 2.320 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCCN1CCOCC1 1588170652 LKWCFIJAMNJQRF-OYRHEFFESA-N 470.618 2.234 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@H]1CCOC[C@H]1OC 1588581258 LZZCKNNIYMSUDQ-SIKLNZKXSA-N 450.543 2.473 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccccc2OC)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1589571618 ZOKVLSPQINWGMK-SVMVAKDDSA-N 476.599 2.470 30 10 JEEE C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1593605193 JKNHZWQHHHLZSN-UHFFFAOYSA-N 488.570 2.178 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cc(OC)c(OC)c(OC)c2)C1 1595714377 NOFQMXYPMOPFOL-IRXDYDNUSA-N 457.531 2.085 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCN(C)c2ccccc2)C1 1595723437 WQJHQFGMGBGGFY-TZIWHRDSSA-N 459.616 2.488 30 10 JEEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2nc(CC)ns2)CC1 1595837979 HOGOTYHVDCPRHA-UHFFFAOYSA-N 462.649 2.174 30 10 JEEE C=CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(CC(=O)NC)CC1 1595854537 FPQCCCGGXCYIMO-UHFFFAOYSA-N 467.603 2.193 30 10 JEEE CC(C)CCN(CCC#N)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccsc1 1606966102 DDOIBDTYQGTGDR-SFHVURJKSA-N 466.633 2.487 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)N2C[C@@H](C(=O)OC)Oc3cc(F)ccc32)ccc1F 1611521996 VQGRRXDPSJHLJF-KRWDZBQOSA-N 452.435 2.010 30 10 JEEE CCC[C@H](C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(S(C)(=O)=O)CC1 1614348760 AVSBYUVKPLXPGD-KRWDZBQOSA-N 472.615 2.383 30 10 JEEE CNS(=O)(=O)c1cccc(Cn2c(Cc3cccnc3)nnc2N2CCC[C@](C)(C#N)C2)c1 1618838812 HNXJOIFANWFIEV-HSZRJFAPSA-N 465.583 2.350 30 10 JEEE COc1ccc(CCc2nnc(N3CCO[C@@H](C#N)C3)n2CCN(C)CC(F)(F)F)cc1 1619239606 HWINSOTYMILRQL-SFHVURJKSA-N 452.481 2.295 30 10 JEEE C#CCN(CC(=O)NCc1ccc(N2C(=O)N[C@](C)(C3CC3)C2=O)cc1)C(=O)OC(C)(C)C 1635309872 WASLOQKBZVAQNR-XMMPIXPASA-N 454.527 2.398 30 10 JEEE Cn1cc(C(=O)NCC2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3C#N)CC2)cn1 1661173981 BGZFVNDTPSSEDT-UHFFFAOYSA-N 455.462 2.141 30 10 JEEE C#CCN(C(=O)NCC(C)(C)NS(C)(=O)=O)[C@@H]1CCOc2ccc(Br)cc21 1668488427 NXANNXJVKJUEPQ-OAHLLOKOSA-N 458.378 2.245 30 10 JEEE C=CCOc1ccccc1CNC(=O)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 1677622847 WYNMQIZQJOVDTG-UHFFFAOYSA-N 455.540 2.344 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1CCCOc1ccccc1C)[C@@H]1CCS(=O)(=O)C1 1689989204 BXFOEWDMJMYBNY-VQTJNVASSA-N 458.584 2.186 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1cccc(C(F)F)c1)[C@@H]1CCS(=O)(=O)C1 1689990140 MBFSPNIQBNQKDD-ZWKOTPCHSA-N 450.511 2.395 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC(=O)NC2CCCCC2)CC1 1690110705 WSRRTGAAXJQYEQ-UHFFFAOYSA-N 477.613 2.351 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H]2CCC[C@H](O)C2)CC1 1690113193 CFQSGCJGOCTGMY-WMZOPIPTSA-N 461.408 2.352 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2c(C)nn(C)c2C)CC1 1690138288 XYZXXAUXTOEYFV-UHFFFAOYSA-N 499.417 2.400 30 10 JEEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1690316092 WPLDFWBAOGPCBR-UHFFFAOYSA-N 461.574 2.097 30 10 JEEE C=CCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1690502767 FYTDKZANUHUTGC-QFIPXVFZSA-N 463.586 2.152 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1690678225 OWXWIFOASXSJPW-YTZAWJCFSA-N 490.605 2.037 30 10 JEEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1690742453 RCHMJQKKZZJYED-CQSZACIVSA-N 460.526 2.043 30 10 JEEE C[C@H](CC#N)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ncnn1C(C)(C)C 1692658779 BNDORTDSXPKBBB-OAHLLOKOSA-N 456.576 2.482 30 10 JEEE CCOC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCOC[C@@H]2C)C1 1695976047 CACBYYCMYZKXBZ-GHTZIAJQSA-N 467.574 2.252 30 10 JEEE C#C[C@@H](C)N(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 1705495764 UZDMRZJCKKHPID-HVMFNXBNSA-N 477.631 2.141 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CC3)n2C[C@H](C)CN2CCOCC2)c1 1705508587 YIUQSMSMSXTAMP-LJQANCHMSA-N 450.587 2.255 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@]1(N(C)C)CCSC1)[C@H]1CCS(=O)(=O)C1 1705562962 NQMQRWKLQCKIQY-LAUBAEHRSA-N 495.074 2.058 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1705563447 YAKHWBJLTFNBSH-GOSISDBHSA-N 463.991 2.437 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1Cc1nc(C)cs1)[C@@H]1CCS(=O)(=O)C1 1705568458 NUHFKESHOPRPGG-QGZVFWFLSA-N 475.571 2.436 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2CC2(N(C)C)CCOCC2)CC1 1705650262 NTQOZLDBYHWCES-UHFFFAOYSA-N 470.643 2.007 30 10 JEEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 1705825343 RAMQHYGIZVEKQS-IBGZPJMESA-N 460.623 2.484 30 10 JEEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN1CCc2sccc2C1)C1CC1 1705849754 VGVLNRWIADRBLN-OAHLLOKOSA-N 450.634 2.163 30 10 JEEE C=CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](OC)[C@H](OC)C1 1705942416 RHWKFJZREHXJIE-HDICACEKSA-N 452.602 2.118 30 10 JEEE COc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCCN2C[C@H](C)O[C@@H](C)C2)cc1 1711884840 HSVQNZKXLCPVOL-CNNODRBYSA-N 470.574 2.094 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H](C(C)C)N1CCOCC1 1722281843 WAXAQIMWCQTMLI-UYAOXDASSA-N 487.674 2.361 30 10 JEEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(c2ccnc(C)n2)CC1 1722331892 ABBIMGUOAQTXTJ-FQEVSTJZSA-N 496.616 2.425 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCOc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1722368419 RDPCUJCYQUMGAN-UYAOXDASSA-N 476.574 2.407 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1Cc1ccc(N2CCC(CO)CC2)cc1 1722425361 VYYQPYOVZHVYJI-UHFFFAOYSA-N 463.586 2.022 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1722501905 HALNAHIMTMIVRE-GHTZIAJQSA-N 473.622 2.012 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccnc(OC(F)F)c2)CC1 1722583300 RVKROYGNGYOVEO-KRWDZBQOSA-N 498.556 2.058 30 10 JEEE C=CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1722603203 QXZYVACUHXDEFA-INIZCTEOSA-N 466.633 2.218 30 10 JEEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1CCC(C)CC1 1722630207 XDHHUVUNRGRWQD-ACBHZAAOSA-N 455.625 2.219 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1722696191 DSBDLBODFNUZPM-KRWDZBQOSA-N 471.993 2.483 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1722730100 INNXUXZZLYDICJ-RTWAWAEBSA-N 487.626 2.322 30 10 JEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 1722739845 XUHHKEATKZCSRQ-GOSISDBHSA-N 493.630 2.201 30 10 JEEE Cc1cscc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(C#N)C1 1725141288 BEKODRURVGSGTJ-XLIONFOSSA-N 464.617 2.159 30 10 JEEE CCN(CCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C#N)cc2F)CC1)C1CC1 1728496338 HFWJNYZHOOIWCW-UHFFFAOYSA-N 468.581 2.238 30 10 JEEE CN(C)C(=O)C1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@H](S(C)(=O)=O)C2)CCCC1 1729293816 HCRPWCIQMBKGMS-IBGZPJMESA-N 470.599 2.089 30 10 JEEE COC(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCOc2ncccc2F)C1 1729777076 AGJBDUFYNJAGHV-KRWDZBQOSA-N 466.473 2.341 30 10 JEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C)cc2)C(=O)C1 1740575985 XDFITFSTMZLHLX-IBGZPJMESA-N 455.584 2.145 30 10 JEEE C#CCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1740594553 QBJNDZJODDLGFS-XMMPIXPASA-N 477.657 2.361 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(C)nc1)[C@H]1CCS(=O)(=O)C1 1740619907 MRNWXZNAZJVPNY-SFHVURJKSA-N 456.959 2.372 30 10 JEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1Cc1cc(C)no1)[C@H]1CCS(=O)(=O)C1 1740626057 RRMQNORMLBDLII-SFHVURJKSA-N 459.959 2.494 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCCN1CC 1740647063 ISWRKARAJLBXAD-OAQYLSRUSA-N 468.627 2.143 30 10 JEEE C#CCSCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@H](CNC(C)=O)C1 1740714195 XBQIQIUYNMLUNN-MRXNPFEDSA-N 451.955 2.445 30 10 JEEE C=CCN(C)c1nnc(Cc2cn3ccccc3n2)n1Cc1cccc(S(=O)(=O)NC)c1 1740902701 VZOCXNRBYUQIBP-UHFFFAOYSA-N 451.556 2.095 30 10 JEEE C=CCn1c(COc2ccc(OC)cc2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1740948779 FPVMLEKOQUEYCL-GCJKJVERSA-N 454.575 2.041 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1740955196 YGQYOYPKJWJJAJ-GOSISDBHSA-N 451.531 2.222 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N(C)C1CCN(C(=O)c2ccccc2)CC1 1740995821 YNTVMTGCPUGBKC-OAQYLSRUSA-N 487.626 2.471 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1Cc1ccc(F)c(C)c1)[C@H]1CCS(=O)(=O)C1 1748802705 RLIOTJWBPUNQCW-IBGZPJMESA-N 475.590 2.319 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CC[S@@](=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1748807890 DAQVBKDSYTYPOS-FZEVHQGJSA-N 478.640 2.128 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1oc(CCC)nc1C)[C@@H]1CCS(=O)(=O)C1 1748816923 BAOKGKKZYVRCRR-ZWKOTPCHSA-N 461.588 2.096 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@@H]1CCO[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1748824557 QFETVTNIICPNAQ-QRVBRYPASA-N 476.574 2.438 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H](C)N1CCC(C)CC1 1748842973 WXILDFDFPPAXRJ-FQEVSTJZSA-N 457.582 2.385 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@H](C)N2CCN(CC)CC2)CC1 1748977953 GEWVECCSZVLEJY-FQEVSTJZSA-N 456.038 2.380 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2CC(=O)N2CCN(c3ccccc3)CC2)CC1 1749004901 PPXUHLNAJYBTMA-NRFANRHFSA-N 491.640 2.106 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CC2(COC)CCOCC2)CC1 1749006238 KZANTLUJQMVQJD-UHFFFAOYSA-N 455.559 2.256 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2CC(=O)NC2CCCCC2)CC1 1749015924 RXHFOEMRHDRRSP-UHFFFAOYSA-N 454.619 2.426 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CCOC)Cc1ccco1 1749131944 WJLKQVJTVGNGMH-NSHGMRRFSA-N 464.588 2.407 30 10 JEEE C=CCCCn1c([C@H]2CCCO2)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1749450577 MHIXYMNZRDNRKA-TVFCKZIOSA-N 481.619 2.222 30 10 JEEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC2(CCCCCC2)C1 1749457481 LKGVQLCMPSASOL-FQEVSTJZSA-N 497.662 2.133 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCn1ccnn1 1749546751 DGIQBKRIOQFYOY-SFHVURJKSA-N 459.551 2.194 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1749651291 RPWXTUGWKUDOPQ-LJQANCHMSA-N 496.591 2.305 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC(NC(=O)COC)CC1 1749659149 WCIKDEBJTHRSHR-UHFFFAOYSA-N 468.602 2.276 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(Cc2cc(F)ccc2OC)CC1 1749663643 LOFUATCPFWKAJH-UHFFFAOYSA-N 465.533 2.112 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC(C(=O)Nc2ccc(C)cn2)CC1 1749664438 NPOJHNVCWRAOCZ-UHFFFAOYSA-N 462.558 2.144 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1749680962 UXYZFADCZGCSCE-XLNZFTOWSA-N 455.559 2.240 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1749727559 XLGAGNIUIUHLHV-HXUWFJFHSA-N 484.626 2.406 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCCN(CC)C(=O)C1 1749730374 BIIZYLAZUXWMHE-UHFFFAOYSA-N 470.599 2.096 30 10 JEEE C=CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(C(=O)NCC)CC1 1749750048 VOTPNECYRMGCGI-UHFFFAOYSA-N 458.588 2.487 30 10 JEEE CS(=O)(=O)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](F)C2)CC1 1750208070 FJSSOKRZLFTLJC-MOPGFXCFSA-N 476.578 2.339 30 10 JEEE C#CCN(c1nnc(-c2ccc(OCCC)c(OC)c2)n1CC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1760184800 MAWPCZHBKIFQNL-SFHVURJKSA-N 476.599 2.140 30 10 JEEE C#CCN(c1nnc(CC)n1C[C@@H](C)N(CC)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1760185915 GZUWHVSFVGHIIG-SJORKVTESA-N 453.609 2.113 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](CC=C)c1ccccc1 1760205666 HCRNFMCGPWIFOK-VXKWHMMOSA-N 467.595 2.044 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccccc1C1OCCO1 1760211061 AFHVGRMLTGBWDJ-RUZDIDTESA-N 450.539 2.487 30 10 JEEE C#CCN(CC#CC)c1nnc(COc2ccccc2OC)n1C[C@H]1CCCS(=O)(=O)C1 1760223076 JPXKHTKPRCUXOP-LJQANCHMSA-N 456.568 2.153 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](C(CC)CC)N2CCOCC2)CC1 1760259706 PDSKEQPDFAYFKN-DHIUTWEWSA-N 458.651 2.064 30 10 JEEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@H](Cn2cccn2)C1 1760277117 ARPGPIQSRBKSCL-IBGZPJMESA-N 468.583 2.431 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCO[C@H]1C(C)(C)C 1760295350 RSSCOUJIZSAPAE-ZBNTXBBCSA-N 493.674 2.444 30 10 JEEE C=CCN(C)c1nnc(-c2ccccc2Br)n1CCNS(=O)(=O)Cc1ccon1 1760459406 RXOHTADKHBTXIL-UHFFFAOYSA-N 481.376 2.437 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1760555056 VJBLYUWADGRGNX-IBGZPJMESA-N 472.590 2.411 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N(C)C[C@@H]1CN(CC)c2ccccc2O1 1760555910 QOAFCYNPIUVQDK-RTBURBONSA-N 475.615 2.107 30 10 JEEE CC(C)NC(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(C#N)CC1 1761248778 FPFQRXQZHZEJRQ-UHFFFAOYSA-N 451.579 2.107 30 10 JEEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCOc1ccc(OC)cc1 1764909245 HRIKWDFUBNEHJG-UHFFFAOYSA-N 450.547 2.168 30 10 JEEE CCOC(=O)N[C@H](CC(C)C)Cn1c(C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1765715348 HXVFOFJSBDLQJP-FUHWJXTLSA-N 455.567 2.124 30 10 JEEE CCO[C@]1(c2nnc(N3CCN(c4cc(C#N)ccn4)CC3)n2C[C@H](C)SC)CCOC1 1765911608 DCDVRGJTPCTXBL-HTAPYJJXSA-N 457.604 2.275 30 10 JEEE CCN(CCn1c(-c2cccc(C#N)c2)nnc1N1CCCN(S(C)(=O)=O)CC1)C(C)C 1766883415 CLDGVTBARQRDIC-UHFFFAOYSA-N 459.620 2.019 30 10 JEEE C=CCNC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CC(=O)N(c2cc(Cl)ccc2OC)C1 1861601533 BRTIQFJXTZEJGW-VQIMIIECSA-N 471.941 2.437 30 10 JEEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1ccc2c(c1)OCCO2 1862417995 CNJMHYRBRRWGMO-HXUWFJFHSA-N 458.417 2.450 30 10 JEEE COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2C[C@@H](C)O)cc(OC)c1OC 1862635755 RLAUXAHGIWMKTL-MPBGBICISA-N 471.462 2.400 30 10 JEEE C=CCOc1ccccc1[C@H]1C(C(=O)NCCNC(C)=O)=C(N)Oc2c1c(C)nn2CC(C)C 1864319383 SVBKSAWTJGCZJU-OAQYLSRUSA-N 467.570 2.359 30 10 JEEE Cc1nc(CNC(=O)OC(C)(C)C)sc1C(=O)N[C@H](CO)C(=O)Nc1cccc(C#N)c1 1867083489 NNRJMIWKXDRRNW-OAHLLOKOSA-N 459.528 2.077 30 10 JEEE CCCCCCCCn1cc(OCC(=O)NCCCO)c(=O)cc1CN1CCC2(CC1)OCCO2 1870356456 PREHZBSEHDSSNR-UHFFFAOYSA-N 493.645 2.425 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)N[C@@H](C)c2ccccc2)cn1CCOCCO 1870412378 OHEIOBPQCZRALP-NRFANRHFSA-N 469.582 2.287 30 10 JEEE C=CCN=c1nc(N(CC)CCc2ccncc2)[nH]c(=Nc2ccc(OC)c([N+](=O)[O-])c2)[nH]1 1871707230 RZOLQCJSEMLLQN-UHFFFAOYSA-N 450.503 2.438 30 10 JEEE N#Cc1ccc(COc2nonc2CC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 1872636603 XTRORRUECGEDIV-UHFFFAOYSA-N 461.478 2.136 30 10 JEEE COC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)(C)C)C2)n1/N=C/c1ccc(OC)c(O)c1 1874277153 LKYUYFULYKQHQI-KHAGQWAKSA-N 461.544 2.254 30 10 JEEE CCOc1ccc(/C=N/n2c(CNC(C)=O)nnc2SCC(=O)OCC(C)C)cc1OC 1874435072 LNPCINATXGYFJF-AUEPDCJTSA-N 463.560 2.495 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)N=c1ccc(I)n[nH]1 2060513160 UHPXYYWBOKZXCC-NSHDSACASA-N 459.288 2.419 30 10 JEEE CC1(C)OB(c2cccc3c2CN(S(=O)(=O)N2CC(OCc4ccccc4)C2)C3)OC1(C)C 2161950427 IDUQLMHMWNUQEB-UHFFFAOYSA-N 470.400 2.447 30 10 JEEE CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)NCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2180983948 SGTDTXPBCQZUQK-MOPGFXCFSA-N 460.380 2.484 30 10 JEEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](C)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 2222513207 NQDOCXZIQZTXLI-HKARXFIJSA-N 453.580 2.417 30 10 JEEE CN(Cc1sccc1B1OC(C)(C)C(C)(C)O1)C(=O)C[C@H](O)CNC(=O)OC(C)(C)C 2256614553 OJPYDMPFFCRWEN-AWEZNQCLSA-N 454.398 2.281 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1[C@H]2C[C@@H](CN(C(=O)[C@@H]3C[C@H]3B3OC(C)(C)C(C)(C)O3)C2)[C@@H]1CO 2267563693 PNSBXJIUVZODAZ-KHHDSSOXSA-N 450.385 2.449 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CNS(=O)(=O)c3cscc3B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2267730036 SYCALNYKCPUFDF-QDMKHBRRSA-N 484.449 2.439 30 10 JEEE C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2sc(B3OC(C)(C)C(C)(C)O3)cc2C1 2268638179 HZIAFFGGQVXTKB-SUMWQHHRSA-N 466.409 2.206 30 10 JEEE CO[C@@H](CNC(=O)OC(C)(C)C)CC(=O)N=c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)[nH]1 2268656331 VZKTWGREYCMXBD-CYBMUJFWSA-N 469.775 2.324 30 10 JEEE CC1(C)C[C@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)CN(C(=O)OC(C)(C)C)C1 2268720573 XMNJBGRSCGGAFK-ZDUSSCGKSA-N 466.413 2.481 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)ccc1F 2268722307 YJDHVTIVFCYAIM-KRWDZBQOSA-N 452.332 2.017 30 10 JEEE Cc1nn(C)c(C(=O)NC[C@]23C[C@@H]2CN(C(=O)OC(C)(C)C)C3)c1B1OC(C)(C)C(C)(C)O1 2281980194 AIKCTFIHDBDIPV-CMJOXMDJSA-N 460.384 2.015 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]3C[C@H]2[C@@H]1[C@@H]3NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2281990863 SJAKGJCRIDMKPA-OXQIDUKASA-N 458.368 2.083 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H]2CCN(C(=O)c3ncc(B4OC(C)(C)C(C)(C)O4)cn3)C[C@H]21 2282012932 CHHNIZUBZNQAER-DOTOQJQBSA-N 458.368 2.247 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@H]3C2)n1 2282042032 FAHGCRQALSAPLJ-HOTGVXAUSA-N 460.384 2.048 30 10 JEEE Cc1c(C(=O)N2CCN(C(=O)OC(C)(C)C)C(C)(C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282060266 UOGHAEBMPZHFCM-UHFFFAOYSA-N 462.400 2.499 30 10 JEEE Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O 2282115241 ORDDRLMWBAJVNX-ROUUACIJSA-N 460.380 2.394 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccco1 2282532864 DDTVDQBTVHZIGW-OAHLLOKOSA-N 460.340 2.308 30 10 JEEE C[C@@H](NC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 2282553585 SANMKGAIHHLQGO-HZPDHXFCSA-N 462.400 2.485 30 10 JEEE Cc1c(C(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282596903 DLIREFRSBVRWDK-HOCLYGCPSA-N 462.400 2.261 30 10 JEEE CC1(C)OB(c2ccc(C(=O)NC[C@H]3CN(Cc4ccccc4)CCO3)c(O)c2)OC1(C)C 2282804544 ICJSOSTZLBEGPB-FQEVSTJZSA-N 452.360 2.322 30 10 JEEE CC1(C)OB(c2cc(F)cc(F)c2S(=O)(=O)N(OCc2ccccc2)C2CNC2)OC1(C)C 2282871281 DQPGEHADKOJVMQ-UHFFFAOYSA-N 480.342 2.358 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1COCCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1O 2282966061 BSSGZBBLGKQALZ-MRXNPFEDSA-N 462.352 2.057 30 10 JEEE COc1ccc(NC(=O)CC2(O)CN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2283953352 RYAIAMMMHNJGAW-UHFFFAOYSA-N 462.352 2.305 30 10 JEEE CO[C@@H]1C[C@@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)c(C)n2)N(C(=O)OC(C)(C)C)C1 2283956305 QKBWLMDVGKNGTH-ZBFHGGJFSA-N 462.356 2.047 30 10 JEEE Cc1nc(NC(=O)C[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)ncc1B1OC(C)(C)C(C)(C)O1 2283983953 QJKIQIIBUXCSMB-OAHLLOKOSA-N 462.356 2.049 30 10 JEEE CC(C)(C)OC(=O)N[C@H](C(=O)NCc1sccc1B1OC(C)(C)C(C)(C)O1)[C@H](O)C(F)(F)F 2284128678 ITERXOWPYCQYBY-KBPBESRZSA-N 494.341 2.480 30 10 JEEE CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2289800058 HHHZBQLLPDZFTL-AWEZNQCLSA-N 483.396 2.320 30 10 JEEE Cc1ccc(CNC(=O)[C@H]2COC[C@@H]2NC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2296180515 OAGQEVNHHZYYRY-HKUYNNGSSA-N 460.380 2.450 30 10 JEEE COc1nc(N(C)C[C@@H](O)CN(C)C(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2339787308 YKRZFLUNDQDDHB-OAHLLOKOSA-N 451.373 2.053 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NS(=O)(=O)Cc1ccccc1B1OC(C)(C)C(C)(C)O1 2359276613 XQKZXOQOFPKFMY-YTQUADARSA-N 478.420 2.413 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CCc2scc(B3OC(C)(C)C(C)(C)O3)c2C1 2361633244 SDDQZMHCIBOAKF-PBHICJAKSA-N 478.420 2.302 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C2)n1C 2362495189 UHVWHKRPUQDGGP-GOEBONIOSA-N 462.400 2.403 30 10 JEEE N#Cc1ccccc1S(=O)(=O)N1CCN(CCCCCn2nnc(-c3ccccc3)n2)CC1 519160522 MIYHENIVBVAAEZ-UHFFFAOYSA-N 465.583 2.389 30 10 JEEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 519874943 AGIOYWINVDJWHY-UHFFFAOYSA-N 450.542 2.489 30 10 JEEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCc2ccc(OC)c(S(N)(=O)=O)c2)cc1 1199058871 KIDJABAJCYLKBN-UHFFFAOYSA-N 458.540 2.479 30 10 JEEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CCc1sccc1C)[C@H]1CCS(=O)(=O)C1 1286381224 FQUMVXPPUSWWQB-PGRDOPGGSA-N 478.640 2.170 30 10 JEEE C#CCN(c1nnc(C(C)C)n1Cc1cccc(CN2CCO[C@@H](C)C2)c1)[C@H]1CCS(=O)(=O)C1 1286385899 QUAWXBCPYUHHGX-REWPJTCUSA-N 485.654 2.297 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCC(F)(F)C1)[C@H]1CCS(=O)(=O)C1 1286398984 VQGMERKBSZVRPZ-OWSLCNJRSA-N 472.558 2.064 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(F)(F)C1(OC)CCOCC1 1286424432 CUXGWHHUCGBKIU-UHFFFAOYSA-N 496.522 2.215 30 10 JEEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@]1(O)CCC[C@H]1C 1286466428 GQISWMWVDWSIPG-DVECYGJZSA-N 453.591 2.089 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2Cc2ccc(N3CCC(C)CC3)nc2)CC1 1286472860 WFJBXXKSTPIIDZ-QFIPXVFZSA-N 481.645 2.437 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@H]2CCCN2CCCO)CC1 1286474260 GHRBYYGVFZTOEP-HXUWFJFHSA-N 473.021 2.209 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN(C)Cc1ccc(F)cc1 1286523496 XGGUJDALIUYMAT-WMZHIEFXSA-N 459.591 2.443 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2F)n1CCNS(=O)(=O)Cc1ccon1 1286523659 BSJKIUVYFGIIOR-JOCHJYFZSA-N 472.546 2.108 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1286556054 AZCULHMMQVOGKJ-JQVVWYNYSA-N 474.631 2.011 30 10 JEEE C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1)c1ccccc1 1286614894 DHWPHHKGXAPGBG-PKOBYXMFSA-N 481.644 2.005 30 10 JEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(Cc2ccccc2C)CC1 1286700158 KKGQUSCVMNQKJF-QFIPXVFZSA-N 488.658 2.208 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1286780483 VXXAFLAAGCATDF-MNVSYLFESA-N 479.379 2.111 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1Cc1cn(C)nc1-c1ccccc1 1288816357 CVTDVMJMGGNYLR-KRWDZBQOSA-N 482.614 2.467 30 10 JEEE C=CCS(=O)(=O)CCNC(=O)c1ccc(OC)c(S(=O)(=O)Nc2ccc(C)cc2)c1 1295458934 YOPWGAGBIVRHDO-UHFFFAOYSA-N 452.554 2.135 30 10 JEEE C=CCOC[C@H](NC(=O)CC[C@@H]1NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O)C(=O)OC 1297029383 GNXUYZXSTZJNQC-GJZGRUSLSA-N 458.298 2.059 30 10 JEEE CN(C)C(=O)COc1cccc(Cn2c(CN3CCCC3=O)nnc2N2CCC(CC#N)CC2)c1 1298019285 GMWKWWHSRGVKHB-UHFFFAOYSA-N 479.585 2.046 30 10 JEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccc(OC)c2)CC1 1300338929 JFCPCVWNVFZEIA-GOSISDBHSA-N 460.604 2.027 30 10 JEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2cccc(C)c2)CC1 1300365587 ZZZVQGMOCWICOG-JOCHJYFZSA-N 486.642 2.050 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1CCc1cnc2c(Cl)cnn2c1)[C@@H]1CCS(=O)(=O)C1 1300483366 JPIWZGUOGLHIBF-NVXWUHKLSA-N 476.006 2.357 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1Cc1c(CC)nn(C)c1CC)[C@H]1CCS(=O)(=O)C1 1300502252 RNDKUKIWNTVBRD-SFHVURJKSA-N 486.667 2.464 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC1(O)CC(OCC)C1 1300527311 FBKQQSLUOHSKPO-UHFFFAOYSA-N 474.565 2.239 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@]2(OCC)CCOC2)n1C[C@@]1(C)CN(C)C1=O 1300641541 BZQTXCHZTFDUNY-RPWUZVMVSA-N 455.534 2.187 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCn2cccn2)CC1 1300718476 PKZLEZYKYFFQQJ-UHFFFAOYSA-N 452.950 2.246 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](C2CCCCC2)N(C)C)CC1 1300726193 MISIPCMIDJOQJQ-YADHBBJMSA-N 456.635 2.258 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 1300763743 ROMYKXZDFMZGJX-SJORKVTESA-N 483.660 2.040 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)N1CCc2ccccc21 1300780881 YSYKCGHKNVRAGH-IEGUWTFLSA-N 456.616 2.332 30 10 JEEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1300863877 VSCZCVPIJCIFGZ-MRXNPFEDSA-N 455.401 2.029 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(N(C)C)cc2C)CC1 1301086000 DLUQNYVNGQHQMI-NRFANRHFSA-N 474.631 2.190 30 10 JEEE C=CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H]1CCN(S(C)(=O)=O)C1)C1CC1 1301320841 PBWSJQXHUWEFBC-MRXNPFEDSA-N 461.588 2.399 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(=O)OCC)CC1 1301482255 TVYDARZRKHUDDS-INIZCTEOSA-N 460.510 2.138 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCC[C@@](C)(C#N)C1 1301497163 QEVYIILHLJSNPE-VWLOTQADSA-N 474.569 2.497 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1301518450 GSSJIJKLANCTIQ-QFIPXVFZSA-N 475.640 2.196 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCCN(C(=O)C(C)C)CC1 1301588135 XBRTYWYSXSQZFC-UHFFFAOYSA-N 477.606 2.304 30 10 JEEE C=CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1301611485 CGVYYBWILXANKB-KRWDZBQOSA-N 481.619 2.351 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1CC(=C)Br)[C@H]1CCS(=O)(=O)C1 1358959964 TUQJUHVXIYXWJQ-HNNXBMFYSA-N 465.373 2.489 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CCOC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1358968058 YJXAEUKZPJVHLP-GOSISDBHSA-N 464.563 2.438 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2c(F)cc(F)cc2C1 1359056792 LOGFALNDVKPFTD-CQSZACIVSA-N 452.552 2.388 30 10 JEEE C=C(Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOC)[C@@H](CC)C1)c1ccccc1 1359138916 HHLYRUPKWKNCEZ-YADHBBJMSA-N 473.643 2.441 30 10 JEEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1359240127 GNULJJZSDVSUAS-OAQYLSRUSA-N 481.649 2.017 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1C[C@H]2CCCN2C[C@H]1C 1359332558 ANDTZVHENPXYNB-IAGOWNOFSA-N 465.570 2.421 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CCN(C2CCOCC2)CC1 1359335294 HLHVBJOYLQGLNZ-UHFFFAOYSA-N 489.642 2.067 30 10 JEEE N#Cc1cc(NC(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)c(F)cc1F 1467182213 CPWSTYGJNXCOTI-UHFFFAOYSA-N 450.467 2.320 30 10 JEEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1 1467928608 HFYHZTQFHSGSRC-NRFANRHFSA-N 452.511 2.226 30 10 JEEE CS(=O)(=O)c1ccc(S(=O)(=O)N2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)cc1 1475256503 AIKUGABVPWKSDB-LJQANCHMSA-N 453.973 2.315 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1OC(F)(F)F 1507539650 XCSJBBFOJBSCDU-YOEHRIQHSA-N 487.504 2.016 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(Br)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1507662284 HWLYIYZYVPLWBA-KRWDZBQOSA-N 469.343 2.159 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCN2CCN(C)C(C)(C)C2)CC1 1507731949 GDIMBBYFHWGPDN-UHFFFAOYSA-N 479.673 2.255 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC1 1507732172 JJQJTKQVZNWWJB-OAQYLSRUSA-N 492.546 2.184 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2Cc2ccc(OC)c(OC)c2)CC1 1507736650 OVKILUYJLHEKBB-UHFFFAOYSA-N 462.554 2.315 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCO[C@@H](C(=O)NC)C1 1507802698 CPQDHPFNJXLYEK-DGQTTZFYSA-N 473.549 2.490 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(CCOC)C(=O)C1 1507804030 JJSQMCJEAJEEMS-UZUQRXQVSA-N 475.540 2.423 30 10 JEEE C=Cc1ccc(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCc3nc(O)c(C#N)cc3C2)cc1 1507892538 QTGBBMQPRDACEO-MRXNPFEDSA-N 493.593 2.309 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1508077201 LJRZQULCSICTKX-IBGZPJMESA-N 479.585 2.018 30 10 JEEE CC(=O)N(C)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCOCC(F)F)CC1 1508182102 MLAKBHMNDHZKRT-UHFFFAOYSA-N 462.501 2.458 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H](C)OC)c1 1539039729 FYVYLPSKUXYBEM-KOSHJBKYSA-N 455.559 2.410 30 10 JEEE C#CCCCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1539076053 JZACGZPOAVGBIF-UHFFFAOYSA-N 499.616 2.364 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCCN1CCCCC1=O)[C@H]1CCS(=O)(=O)C1 1539212790 SVYVIYBHIOQNAP-SFHVURJKSA-N 491.017 2.023 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1cccc(CN(C)C)c1)[C@H]1CCS(=O)(=O)C1 1539225604 PJSMIBYBICPNPK-QHCPKHFHSA-N 478.622 2.001 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1ncnn1C(C)(C)C 1539232553 HXTQPJPRFJONCM-UHFFFAOYSA-N 464.961 2.329 30 10 JEEE C#CCN(CC)c1nnc(C(=O)NC(CC)CC)n1CC(=O)N1CCN(c2ccccc2)CC1 1539340379 LMNDBOQGVXZABA-UHFFFAOYSA-N 465.602 2.005 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2ccc(F)cc2F)C1 1539517288 LILABPUBQXZUKZ-HNAYVOBHSA-N 482.578 2.403 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1539643322 MBQIORHBIAXATF-DXIQSLLYSA-N 458.607 2.123 30 10 JEEE C=C(Cl)Cn1c(N2CCN(CC(=O)N3C[C@H](C)C[C@@H](C)C3)CC2)nnc1[C@]1(OCC)CCOC1 1539823376 BJHJTSHBIGPNCK-IECBHUPTSA-N 495.068 2.309 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1540874568 LGMUDCREEUUVJB-HXUWFJFHSA-N 466.586 2.367 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCC(S(=O)(=O)c2ccccc2)CC1 1540897844 UCJVDTZGXOJRMF-UHFFFAOYSA-N 466.629 2.445 30 10 JEEE CCOC1CC(CCn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCO[C@@H](C#N)C2)C1 1548013977 DNNZWILSMUGKOQ-KVZIAJEVSA-N 459.572 2.283 30 10 JEEE CS[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1555845218 HGBAEHFGZKPDJV-QZTJIDSGSA-N 483.642 2.269 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1CC1(O)CCC1)[C@H]1CCS(=O)(=O)C1 1588041651 ZCHXTFWSUOXYCM-HNNXBMFYSA-N 452.939 2.279 30 10 JEEE C#CCN(c1nnc(C2CC2)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1588050618 UAISBTFGMXPABC-FUHWJXTLSA-N 465.620 2.285 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@H](Cc1ccccc1)OC)[C@H]1CCS(=O)(=O)C1 1588064182 CHKSWSUIINFHMA-GOTSBHOMSA-N 479.606 2.148 30 10 JEEE C#CCN(c1nnc(Cc2c[nH]c3ccccc23)n1C[C@@](C)(O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1588065405 YEPXARZMWZZLOK-NTKDMRAZSA-N 469.611 2.384 30 10 JEEE C#CCN(CC#C)c1nnc(CCc2ccc(OC)cc2)n1Cc1cccc(N2CCOCC2)n1 1588158508 FKHYSVHMALVTAN-UHFFFAOYSA-N 470.577 2.425 30 10 JEEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC[C@@H]1CCCCO1 1588628947 RBCCCVOEVDWCTO-SFHVURJKSA-N 460.604 2.283 30 10 JEEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2Cc2cccc(C(=O)N[C@@H](C)CC)c2)CC1 1588801150 WQEGZCUGMJGRMN-IBGZPJMESA-N 460.586 2.010 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H](OC)c2ccccc2)CC1 1588892195 ZDOJBXYGQNOOBE-BKMJKUGQSA-N 481.597 2.284 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CC2(O)CC2)CC1 1588908870 XUONHRSCQWQOAQ-UHFFFAOYSA-N 467.570 2.232 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(Cn2nc(C)cc2C)CC1 1589070684 WGMNBKLCCHIVCP-FQEVSTJZSA-N 476.672 2.277 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C2CCOCC2)C1 1589493495 HOSSESSIYMHOEU-NBYUQASBSA-N 467.636 2.122 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](Oc2ccccc2Cl)C1 1593636636 OZLUQNMSZSKWKU-LPHOPBHVSA-N 482.006 2.498 30 10 JEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(Br)s1 1595405255 GXAATAXGNQHXMC-CYBMUJFWSA-N 476.422 2.257 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)C[C@@H]1CCCOC1 1595536488 BOFQIBBGQMESKE-SFHVURJKSA-N 479.585 2.401 30 10 JEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1595884672 PZVFUXYYISCKSD-IAGOWNOFSA-N 469.677 2.231 30 10 JEEE CC(=O)N1CCC[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@](F)(C#N)C2)C1 1596083677 AECAUDIOULZOPQ-WMZHIEFXSA-N 451.506 2.429 30 10 JEEE Cc1cccc(O[C@H](C)c2nnc(N3CCO[C@@H](C#N)C3)n2CCCN2CCOCC2)c1C 1611828356 FLFNJDBLJAACRQ-RTWAWAEBSA-N 454.575 2.486 30 10 JEEE CC1CCC(NC(=O)CN2CCN(c3nnc(-c4ccc(C#N)cc4)n3CC(C)(C)O)CC2)CC1 1612731399 GAYIPOKBFDZMJJ-UHFFFAOYSA-N 479.629 2.405 30 10 JEEE CO[C@@H]1O[C@H](COS(=O)(=O)c2ccc(C)cc2)[C@H](OC(C)=O)[C@H]2OC(c3ccccc3)=N[C@H]21 1615946142 BOYDSGVAFVWMGZ-UNRHHUQTSA-N 475.519 2.218 30 10 JEEE CCc1nnc(NC(=O)[C@H](C)[C@@H](C)NC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)s1 1630999409 FCMSOJWPUQKFIU-ZIAGYGMSSA-N 456.576 2.298 30 10 JEEE C#CCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1689880295 XWQPUGAYHHLAPU-LJQANCHMSA-N 465.514 2.423 30 10 JEEE C#CCCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1689885432 IOEJRVFKLHMAMS-NRFANRHFSA-N 467.599 2.452 30 10 JEEE C#CCN(c1nnc(C2CCC2)n1CCOCc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1689991016 UPWBJRIUIVECGC-HXUWFJFHSA-N 458.584 2.398 30 10 JEEE C#CCN(c1nnc(COc2ccccc2OC)n1C[C@@H]1CCCS1)[C@H]1CCS(=O)(=O)C1 1689997123 WHLKWDWWDVYKMC-ROUUACIJSA-N 476.624 2.388 30 10 JEEE C#CCN(CC)c1nnc(Cc2cn3ccccc3n2)n1CC[C@H](C(F)F)N1CCOCC1 1690080213 KHHVDUZUKQGUAB-LJQANCHMSA-N 457.529 2.332 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccccc2Br)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1690098606 OOPRGSYPGUVXDI-MRXNPFEDSA-N 496.431 2.075 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNc2nccc(C(F)(F)F)n2)CC1 1690119682 OCOWVWFWCZBMSW-UHFFFAOYSA-N 481.486 2.493 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cc(C(C)(C)C)no2)CC1 1690137327 VCMCOPIDTYQYNH-UHFFFAOYSA-N 490.568 2.225 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2C[C@H](OC)C2CC2)CC1 1690148356 DKQUDQPMMGATLH-QFIPXVFZSA-N 451.571 2.268 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(OC)cc2)nnc1N1CCN(C(=O)COC)CC1 1690253464 QVUOSJVARFZZEZ-DVECYGJZSA-N 485.585 2.142 30 10 JEEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(c2nccc(OCC)n2)CC1 1690484716 BUIAQGGDOMOARD-GOSISDBHSA-N 475.619 2.052 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCO[C@H](c2ccc(F)cc2F)C1 1690674198 SGUWKRNNPNFMHG-FQEVSTJZSA-N 454.481 2.422 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2c(Cl)cccc2OC)C1 1690686472 OSYYXZCQDASLNX-LSDHHAIUSA-N 469.995 2.380 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCC(Nc2cccnn2)CC1 1690727144 VISOQYPTMWDVPS-UHFFFAOYSA-N 459.620 2.483 30 10 JEEE CCN(C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](OC)C2CC2)CC1)S(C)(=O)=O 1695570805 HUORJRBOQZJBAW-OAQYLSRUSA-N 472.615 2.492 30 10 JEEE CCS(=O)(=O)N(C)CCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC(CC#N)CC1 1696490320 BPUZFIQINGWEIH-UHFFFAOYSA-N 484.630 2.318 30 10 JEEE C#CCCCn1c(N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)nnc1[C@@]1(OCC)CCOC1 1705539189 LQDZQCKPXVBBKN-RUZDIDTESA-N 484.576 2.243 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CC[S@](=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1705568296 KFYISYYKXPNOFW-GTJUCTONSA-N 492.667 2.339 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(OC)c2)n1CC1(S(C)(=O)=O)CCC1 1705593299 MWTWNPXUTNKYRH-UHFFFAOYSA-N 456.568 2.393 30 10 JEEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCC(=O)N[C@@H](C)CC 1705598864 RSYZBUPHCSMREV-FQEVSTJZSA-N 462.602 2.220 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CC(=O)NC(C)C)CC1 1705645571 XZBGSNGHSOCELX-NRFANRHFSA-N 450.587 2.310 30 10 JEEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1 1705890989 UBYVBXWJGHUJSE-BBWFWOEESA-N 451.593 2.202 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H]2CCC[C@@H]21 1705931549 SOTTZXJYMQZIBN-PXNSSMCTSA-N 493.655 2.175 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CC[C@](O)(c2ccc(C)cc2)C1 1705937015 FONAAKZGDDQWNE-XMMPIXPASA-N 467.595 2.271 30 10 JEEE CC(C)C(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCOCC2)CC1 1706222737 GAFYQQNRWHBDIH-UHFFFAOYSA-N 452.559 2.099 30 10 JEEE C[C@H](CN1CCOCC1)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@H](C#N)C1 1706824284 CUBKJOHMNWSNCX-YLJYHZDGSA-N 460.966 2.208 30 10 JEEE CC[C@H](C)[C@](C)(O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1708347293 FHCHVJJAGDAZIB-UBPTVHNVSA-N 452.559 2.476 30 10 JEEE CCS(=O)(=O)N(C)CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1710886299 FSEFMCNJAFNMBT-NRFANRHFSA-N 497.625 2.066 30 10 JEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1ccc(OCC(C)C)cc1)[C@H]1CCS(=O)(=O)C1 1722358210 FAHBSSNDCPJLHQ-NRFANRHFSA-N 499.637 2.224 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCCN2CCC[C@H](C)C2)CC1 1722432143 UDNVEQDPHMBSAF-NRFANRHFSA-N 464.618 2.193 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCCN2CCN(CC)CC2)CC1 1722440688 DOQUSMKTJBGYAB-DNQXCXABSA-N 485.721 2.370 30 10 JEEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1722453625 AFCDKXVJBXYZJY-NRFANRHFSA-N 469.615 2.436 30 10 JEEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCC(CC(=O)N2CCN(CC)CC2)CC1 1722462982 RHPBQKBOSVIQBJ-UHFFFAOYSA-N 495.697 2.401 30 10 JEEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1ccc(C)o1 1722538316 WUVHLDKVJZDCFY-AZUAARDMSA-N 479.603 2.447 30 10 JEEE C=CCN(c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(C)(C)C(=O)NC)C1CC1 1722645089 AAGBJTZGIRHFRA-UHFFFAOYSA-N 460.604 2.122 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@H](CC)C1 1722724346 UJUWQXAJMZBJAY-CQSZACIVSA-N 458.382 2.252 30 10 JEEE CCn1cc([C@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCNC(=O)C(C)C)CCO2)cn1 1728528764 BMDGLKQZWHWYCN-OAQYLSRUSA-N 462.558 2.383 30 10 JEEE C#CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1740569710 IOZYNSICKQXDRB-LJQANCHMSA-N 463.546 2.439 30 10 JEEE C#CCCCn1c(COc2cc(C)ccc2C)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1740594788 BRAAMMZTFFKJEX-UHFFFAOYSA-N 466.586 2.061 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1ccc(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1740624911 BSJBRQVJJMSBLG-AZUAARDMSA-N 474.583 2.212 30 10 JEEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1740673660 BPLIAQDNEVTQRH-SFHVURJKSA-N 479.610 2.398 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@@]2(C)CN(C)C2=O)CC1 1740690378 IXJZTDHZARUUPP-GAJHUEQPSA-N 456.978 2.305 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)cc1F 1740932617 RWWVIUFSFLVUNA-SFHVURJKSA-N 453.515 2.116 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCCN(CCC)C(=O)C1 1740951949 QRHFFMORSQXPFM-KRWDZBQOSA-N 458.538 2.308 30 10 JEEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@]3(CCOC3)C2)cc1 1740965089 DCIFDJHXVGJDDM-HTAPYJJXSA-N 461.588 2.118 30 10 JEEE C=CCSCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@@H](C(=O)NC)C1 1740996607 FPCUAIWOVCEVOW-QGZVFWFLSA-N 491.687 2.428 30 10 JEEE CCCC(=O)NC[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1745151084 BVDJPEWUFGZLES-PMACEKPBSA-N 484.626 2.384 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1Cc1nccn1C(F)F)[C@H]1CCS(=O)(=O)C1 1748818724 FBJHBZWRMXCPGG-HNNXBMFYSA-N 466.539 2.197 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1Cc1ccc(NC(N)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1748819749 STWDNJNMJZNUOR-LJQANCHMSA-N 484.607 2.096 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1CCCN1CCCO[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1748820661 GOLDZDSTEPZBKD-TZIWHRDSSA-N 491.683 2.058 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCN(C)CC(F)(F)F)CC1 1748999766 FNNQYTSDBFSUIT-QZTJIDSGSA-N 456.557 2.446 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(Cc2cscn2)CC1 1749020507 VWCUIQUOKHREGP-UHFFFAOYSA-N 468.612 2.071 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(N(C)C)CCC[C@H](C)C1 1749066488 KGVJEAXFJMPUOF-UWXQAFAOSA-N 492.690 2.114 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1cccs1)N(C)C 1749159821 ZLULFFQAHRSCOW-ROUUACIJSA-N 482.676 2.378 30 10 JEEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(n2cc(Cl)cn2)CC1 1749214328 XKKCZDICWBFLML-HNNXBMFYSA-N 472.015 2.172 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CCSC1 1749529799 LKIPPYLHMGPMLB-AVRDEDQJSA-N 478.640 2.249 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@H](N2CCCC2=O)C1 1749740618 WUIQMOALTFVQMZ-SFHVURJKSA-N 494.017 2.312 30 10 JEEE C[C@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1750060333 GOKNBKHFPOTESP-CTNGQTDRSA-N 474.569 2.422 30 10 JEEE CS(=O)(=O)CCn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@@](F)(C#N)C1 1750204773 IFTPQFMACDSYET-MRXNPFEDSA-N 460.304 2.333 30 10 JEEE CC(C)(C)[S@@](=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](CC(N)=O)C1 1750520223 HFWTWBCRXQPJIK-GDTDKIKOSA-N 472.615 2.368 30 10 JEEE Cc1cccc2c(CCn3c([C@@H]4CN(S(C)(=O)=O)CCO4)nnc3N(C)[C@H](C)CC#N)c[nH]c12 1751657334 DHGFQMDCSXCGTH-XLIONFOSSA-N 485.614 2.382 30 10 JEEE C#CCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1760149366 GXSQITMJYNHLMF-UHFFFAOYSA-N 474.356 2.001 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H](C)N(C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1760187178 IPCHXMXDAMDTQK-KCZVDYSFSA-N 471.627 2.324 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCN(CC(F)(F)F)C1 1760214877 FMCDEQZSESRDKP-SFHVURJKSA-N 483.502 2.268 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCN2CCCC[C@H]2CC)CC1 1760257307 TUSGKWJTNXHXJV-RDGATRHJSA-N 458.651 2.338 30 10 JEEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1760285773 QOXZQNFWSANKBX-QFIPXVFZSA-N 466.611 2.396 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(Cl)nc2)CC1 1760402605 OFVOYCACSQGDEZ-KRWDZBQOSA-N 466.995 2.110 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCC1CCOCC1 1760412238 ISCGNHZAPGZVRO-LJQANCHMSA-N 469.652 2.466 30 10 JEEE C=CCCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(CC(=O)NCC)CC1 1760428203 QXTIUSQDQLETQT-OAQYLSRUSA-N 454.575 2.405 30 10 JEEE C=CCCOCCn1c(CNC(=O)c2cccs2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1760452656 PZGAVYSZVDUSIC-DLBZAZTESA-N 458.588 2.110 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1cccc(C(F)(F)F)c1 1760515491 VLFRWELQYCQPPQ-UHFFFAOYSA-N 450.465 2.472 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCC[C@@H](n2cncn2)C1 1760556906 TUOFAXXJZCAPJR-HXUWFJFHSA-N 455.588 2.211 30 10 JEEE C=CCS(=O)(=O)CCn1c(CSc2ccc(C)cc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1760558469 PSGANIDCAXBWEY-MJGOQNOKSA-N 475.640 2.194 30 10 JEEE CCO[C@]1(c2nnc(N3CCN(c4ccc(C#N)cc4F)CC3)n2CCC(=O)NC(C)C)CCOC1 1765912176 GRKCCPPMYPHPDD-RUZDIDTESA-N 499.591 2.182 30 10 JEEE CCCN(CC)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1765980239 FNODJILKWUXTRR-UHFFFAOYSA-N 473.647 2.409 30 10 JEEE C[S@](=O)C1(Cn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CCO[C@@H](C#N)C2)CCC1 1770366859 HYUDSCIAUPILPM-MZDMPTQBSA-N 492.646 2.423 30 10 JEEE CO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2C[C@H](C)O[C@H](C)C2)C1 1771326896 DJQMKAVGIKZUGQ-XQBPLPMBSA-N 454.575 2.453 30 10 JEEE CN(c1ccc(NS(=O)(=O)c2ccccc2C#N)cn1)S(=O)(=O)c1ccc2c(c1)CC(=O)N2 1858271910 IEWBDCTUBYQRJO-UHFFFAOYSA-N 483.531 2.074 30 10 JEEE COc1ccc(C2(C(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)CC2)cc1OC 1858493503 CBMGUGNNCOQTLY-UHFFFAOYSA-N 455.536 2.140 30 10 JEEE COc1ccc([C@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2CCN2CCOCC2)cc1O 1862573687 BBCDMKJKQFUAEF-QHCPKHFHSA-N 498.532 2.329 30 10 JEEE C=CCn1cc(OCC(=O)Nc2ccc(C(=O)OC(C)C)cc2)c(=O)cc1CN(C)CCO 1870390546 NGLNSFMHVYYXGR-UHFFFAOYSA-N 457.527 2.041 30 10 JEEE C=CCn1cc(OCC(=O)NCc2ccccc2Cl)c(=O)cc1CN(CCOC)CCOC 1870653373 FJKSWMUZSHQRQV-UHFFFAOYSA-N 477.989 2.478 30 10 JEEE C#CCOc1cn(CCc2ccc(S(N)(=O)=O)cc2)c(CNc2cccc(NC(C)=O)c2)cc1=O 1871008701 JMOVJKOAJNHQFM-UHFFFAOYSA-N 494.573 2.321 30 10 JEEE C=C(C)CN([C@@H](CCSC)C(=O)Nc1ccc(N2CCN(C)CC2)cc1)S(C)(=O)=O 1872275504 NZOQLNSJZPBHFH-FQEVSTJZSA-N 454.662 2.336 30 10 JEEE CCCCCCCCNC(=O)C1CCN(C(=O)[C@H]2CC(=O)N(CCCN3CCOCC3)C2)CC1 1872926459 PRVSVNZTUNEGJW-QHCPKHFHSA-N 478.678 2.273 30 10 JEEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)c3cc(-c4ccncc4)nn3C)CC2)CC1 1889495252 LRXZIHDCMGMOKP-UHFFFAOYSA-N 464.614 2.133 30 10 JEEE Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CCC(=O)N1CCC(N(C)c2cc(C#N)ccn2)CC1 1891209632 DSFGAWKCSNDPOU-NRFANRHFSA-N 484.626 2.186 30 10 JEEE N#Cc1ncccc1OCC1CN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccc(Cl)c2)C1 1891922145 YCWLYJKMXSJEKX-LJQANCHMSA-N 460.943 2.297 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)O 2123817247 WXRGIMMCQCWVQH-HOTGVXAUSA-N 468.551 2.496 30 10 JEEE C[C@H](C(=O)N1C[C@H]2C(B3OC(C)(C)C(C)(C)O3)[C@@H]2C1)N1CCN(C(=O)OC(C)(C)C)CC1=O 2180986932 IWDSHXYULHATFL-BZUAXINKSA-N 463.384 2.005 30 10 JEEE Cc1cc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)sc1B1OC(C)(C)C(C)(C)O1 2255676505 REKIXXHSSXITCK-KBPBESRZSA-N 452.382 2.066 30 10 JEEE C[C@@H](NC(=O)CN(CCO)C(=O)OC(C)(C)C)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2256614712 PBHAITLCFSHCSS-CQSZACIVSA-N 454.398 2.454 30 10 JEEE C[C@H]1C[C@@H](NC(=O)C(F)(F)F)CCN1S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2267472177 ZCKBOOAHVIQKIN-RYUDHWBXSA-N 482.355 2.267 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(C)CC(C)(C)NC(=O)OC(C)(C)C 2267524193 MMUGGNPUUBBNHX-UHFFFAOYSA-N 450.389 2.403 30 10 JEEE Cc1csc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2O)c1B1OC(C)(C)C(C)(C)O1 2267539498 QZWSVPYSKFLYBW-CABCVRRESA-N 466.409 2.456 30 10 JEEE CN(Cc1sccc1B1OC(C)(C)C(C)(C)O1)C(=O)CN1CC(NC(=O)OC(C)(C)C)C1 2268636580 FIHBDBSOHWZHMQ-UHFFFAOYSA-N 465.425 2.215 30 10 JEEE CC(C)(C)OC(=O)NC[C@]1(O)CCCN(c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2269005797 OXCDZVKUHUVACR-JOCHJYFZSA-N 451.348 2.376 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2281767447 GTMVWNXEYKQIIY-ROUUACIJSA-N 464.343 2.225 30 10 JEEE CCc1nn(C)c(C(=O)NC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2281993251 YNEVIEFHKAROPP-HNNXBMFYSA-N 462.400 2.269 30 10 JEEE CC(C)(C)OC(=O)N(CCO)[C@@H]1CCCN(C(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282060450 XBVGXVLXARBKGA-QGZVFWFLSA-N 464.368 2.413 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2CN(C(=O)C3CC(B4OC(C)(C)C(C)(C)O4)C3)CCN2C1=O 2282061866 QFABEZCIYCAQSX-BHUNQDJPSA-N 463.384 2.195 30 10 JEEE CC1(C)OB(c2sccc2CS(=O)(=O)NC[C@H]2CCCCN2C(=O)C(F)(F)F)OC1(C)C 2282505693 HPDLKSQWQVEVDR-CQSZACIVSA-N 496.382 2.410 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@H]2[C@@H](CCN2C(=O)OC(C)(C)C)C1 2282534397 TWMUBYKMDMHXEV-RDJZCZTQSA-N 460.384 2.191 30 10 JEEE Cn1cc(C(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)C(C)(C)C2)nc1B1OC(C)(C)C(C)(C)O1 2282544336 SCVNKVNZTJMNDC-HNNXBMFYSA-N 462.400 2.485 30 10 JEEE Cn1cc(C(=O)N2C[C@H](NC(=O)OC(C)(C)C)CC23CCC3)c(B2OC(C)(C)C(C)(C)O2)n1 2282589603 PMGNIWPFBHAWCC-OAHLLOKOSA-N 460.384 2.381 30 10 JEEE CO[C@H]1CN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2Cl)C[C@H]1NC(=O)OC(C)(C)C 2282609164 FEQBPNUFIDFCOE-CVEARBPZSA-N 481.786 2.398 30 10 JEEE Cn1nc(C(=O)N2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)cc1B1OC(C)(C)C(C)(C)O1 2282615799 SDTSRPIXGUDVMT-RUZDIDTESA-N 450.392 2.458 30 10 JEEE CC(C)(C)OC(=O)N1CCN([S@@](C)(=O)=NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)CC1 2282631875 CMVRKHKSVJMQBH-XIFFEERXSA-N 483.396 2.285 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCOC[C@@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1O 2282883713 DYUNNPRXEYEWGL-SJORKVTESA-N 462.352 2.103 30 10 JEEE CN(Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)C1(CNC(=O)OC(C)(C)C)COC1 2284058407 LSIGAPFIHGALQL-UHFFFAOYSA-N 460.380 2.486 30 10 JEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H](CN(C)Cc1ccccc1)C(=O)O 2284408666 AYSWRBOUTJPPLO-QGZVFWFLSA-N 494.444 2.219 30 10 JEEE C[C@H](NS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1)[C@H]1CCCN1C(=O)OC(C)(C)C 2286900199 FCVCFBAJLSOQBH-MAUKXSAKSA-N 481.424 2.447 30 10 JEEE CC(C)(C)OC(=O)N(CC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F)[C@H]1CCOC1 2288186809 OGHCGVZTEIZXQQ-HNNXBMFYSA-N 465.331 2.484 30 10 JEEE CN(C)CCCN1C(=O)C(=O)C(=C(O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@@H]1c1ccc(F)cc1 2297747342 RLAHQDJIXHUVKT-NRFANRHFSA-N 489.569 2.449 30 10 JEEE CN[C@](C#N)(Cn1cnc(I)c1I)[C@H]1C[C@@H]1C 2307809891 WJJOMHFJFHJLCF-DKCNOQQISA-N 456.069 2.230 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(OC[C@H]2CCS(=O)(=O)N2C(=O)OC(C)(C)C)n1 2337042307 QKSUUOGQEWXCLI-MRXNPFEDSA-N 468.381 2.407 30 10 JEEE Cn1cc(C(=O)N[C@@H]2C[C@@H]3C[C@H]2C[C@@H]3NC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2359277928 HEEDOEIUMLLYBE-JONQDZQNSA-N 460.384 2.141 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 2362353961 ZXLUQCRKDBSWIA-ZSHCYNCHSA-N 460.384 2.095 30 10 JEEE CCCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@H](CNC(=O)OC(C)(C)C)OC 2365477580 ONLSJYNSYTVLRG-QGZVFWFLSA-N 465.400 2.467 30 10 JEEE CN[C@H](C#Cc1cccc(Br)c1)C1(S(C)(=O)=O)CN(C(=O)OC(C)(C)C)C1 2379894230 STZLJCFXTJXRCS-MRXNPFEDSA-N 457.390 2.423 30 10 JEEE C#CCN(C)CCNC(=O)[C@@H](CCC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 757351835 QCRFCBOWMMDDGU-HSZRJFAPSA-N 463.534 2.440 30 10 JEEE C[C@@H]1CN(C(=O)Cn2cc(NC(=O)CCCC(=O)Nc3ccccc3C#N)cn2)C[C@@H](C)O1 1148578813 BZGCBAGCUPLBEA-IAGOWNOFSA-N 452.515 2.138 30 10 JEEE CC(C)(C)OC(=O)[C@H](Cc1ccccc1)NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1179341359 CXLQSNSLPHEKEW-SFHVURJKSA-N 457.552 2.184 30 10 JEEE C#CCN(C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1251359197 XGQIIRVNQVJMBA-TZRRMPRUSA-N 451.592 2.487 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCCNc1ccccn1)[C@H]1CCS(=O)(=O)C1 1286388316 NIWSFGIKLNCFLU-NRFANRHFSA-N 475.578 2.341 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCNC(=O)c1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1286388705 UVMAYSBUHAZRHR-FQEVSTJZSA-N 481.578 2.212 30 10 JEEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1CC1(O)CCCC1)[C@H]1CCS(=O)(=O)C1 1286392777 BZNSSKNPGDSIER-SFHVURJKSA-N 479.002 2.442 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1286422988 PDKWJDYVSRNHRR-DENIHFKCSA-N 483.535 2.046 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2CCCN2CCCO[C@@H](C)C2)CC1 1286473492 NHFWNRBMRAMXIY-NRFANRHFSA-N 452.603 2.210 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2csc([C@H](C)OC)n2)CC1 1286473975 ZGMARVMFNRWKTR-MBSDFSHPSA-N 474.631 2.286 30 10 JEEE C#CCN1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@H]2CC(=O)N(CCOC)C2)CC1 1286484512 PONBMRAYQLXZNB-NRFANRHFSA-N 482.654 2.129 30 10 JEEE C=C(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1286590184 VRAQRCWCVAKUIV-UHFFFAOYSA-N 462.957 2.295 30 10 JEEE C=CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1286693080 UHIIRLCJRBVVTR-UHFFFAOYSA-N 454.531 2.449 30 10 JEEE C=CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1286769701 LVRCPXHSZGOMFS-UHFFFAOYSA-N 465.576 2.065 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CC[C@](O)(c2ccc(F)cc2)C1 1286819065 YLVYIKKLGAMKNZ-JOCHJYFZSA-N 457.531 2.178 30 10 JEEE CCN(CCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@@](C)(C#N)C1)S(C)(=O)=O 1295805495 FEIFPWKUCJCWAW-QFIPXVFZSA-N 474.587 2.475 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCSC1(C)C)[C@@H]1CCS(=O)(=O)C1 1300479947 VZQFCKZMRNGYNB-DLBZAZTESA-N 488.639 2.084 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H](CCC)OC)[C@@H]1CCS(=O)(=O)C1 1300489703 QWYDLKZWVKJDAH-QZTJIDSGSA-N 460.556 2.116 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCC1CCN(CC)CC1)[C@H]1CCS(=O)(=O)C1 1300496911 WJEUBERQTXCGQB-LEWJYISDSA-N 463.648 2.268 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1Cc1ccnc(OCC(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 1300502016 PDUOPBNQFXCXRN-KRWDZBQOSA-N 483.516 2.242 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCOCC(F)F)[C@@H]1CCS(=O)(=O)C1 1300504050 JBUWFAUHZBUIAT-ZHALLVOQSA-N 488.601 2.495 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCC(=O)NC1CC1 1300579809 ZYXVURIPEVGSPN-HXUWFJFHSA-N 484.601 2.108 30 10 JEEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1cccc(C(=O)NC)c1 1300626807 WZPSPJWVERPWFQ-UHFFFAOYSA-N 458.570 2.320 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCOC[C@H]1OC 1300658190 YTHZZBHUALQHPV-RHSMWYFYSA-N 452.353 2.173 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)ccc3Br)n2C[C@]2(O)CCO[C@@H]2C)CC1 1300689548 YIJHZMJNANWSOW-OPAMFIHVSA-N 490.402 2.011 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2Cc2cccn(CC)c2=O)CC1 1300691092 OGADRRADMBZRKD-UHFFFAOYSA-N 476.581 2.338 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2cnn(CC(C)C)c2C)CC1 1300707627 GTMQXTDKAGWBQR-UHFFFAOYSA-N 480.642 2.234 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@](C)(OC)C2CC2)CC1 1300715602 ATTGQJBHCBVXMW-DQEYMECFSA-N 473.618 2.100 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H]2CCCO[C@H]2C(C)C)CC1 1300716345 LDEINRDBFBHYBM-UFPGJGBJSA-N 487.645 2.347 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C(=O)COC)CC1 1300890534 HDUUOFAOGRJRTK-OFVILXPXSA-N 483.613 2.348 30 10 JEEE C=C(C)Cn1c(COc2ccccc2OCC)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1300963663 ZMUXVTSTMBLMJZ-UHFFFAOYSA-N 470.574 2.005 30 10 JEEE C=C(C)COCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1300980716 LPYITBYNVGCPGP-RDPSFJRHSA-N 477.613 2.398 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(OC)CCC(C)CC2)C1 1301538884 LUHNJNNRWSFIRX-IOBOIYPZSA-N 455.625 2.265 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1301592991 HJVVCOOWSRPPRM-NRFANRHFSA-N 484.626 2.251 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](c2ccc(F)cc2)C1 1301596416 OFMHJMNTGFOPGJ-JBACZVJFSA-N 494.589 2.320 30 10 JEEE C#CCN(C(=O)Nc1c(F)cc(C)cc1I)[C@@H]1CCS(=O)(=O)C1 1310472892 VHIKMEQEFDQNET-LLVKDONJSA-N 450.273 2.393 30 10 JEEE CCS(=O)(=O)N(C)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCCC2)CC1 1314539231 DXCXMOCAGFBJOL-UHFFFAOYSA-N 472.615 2.372 30 10 JEEE CSc1ccc(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@H](C)C#N)cc1 1316418810 CUAJYRGEIIVMLV-APWZRJJASA-N 478.644 2.171 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1c[nH]c2ccccc12 1358889552 DGJBVQYRLARKMR-UTKZUKDTSA-N 470.599 2.183 30 10 JEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1CC1(O)CCCC1)[C@@H]1CCS(=O)(=O)C1 1358964547 AXLWJMSSRBTYFZ-LJQANCHMSA-N 463.003 2.454 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@]1(C)CN(C2CC2)C1=O 1358983259 AYHWSEBTIPHHQW-DFBJGRDBSA-N 466.586 2.434 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1CCC(OC)CC1 1359021707 YKHTYADHZLYRAM-UHFFFAOYSA-N 450.547 2.212 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2Cc2nccc(C(F)F)n2)CC1 1359046376 PFOMSBFWMWOJKK-UHFFFAOYSA-N 466.496 2.006 30 10 JEEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1359050763 BYQCERHXWZUUGW-WMZHIEFXSA-N 477.638 2.172 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(N2CCOCC2)cc1 1359056579 HSEDZRABUXJPHP-FQEVSTJZSA-N 489.667 2.020 30 10 JEEE C#CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C(=O)OC)CC1 1359057686 GEYDOVQGHCNTNI-GOSISDBHSA-N 493.630 2.342 30 10 JEEE C#CCSCCn1c(N2CCC(N(C)C(=O)OCC)CC2)nnc1[C@]1(OCC)CCOC1 1359061536 FRMKWXLUVULWFY-QFIPXVFZSA-N 465.620 2.354 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC[C@H](CC(N)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1359106232 ZGTVHJGTUHJACZ-PDSFRDGWSA-N 461.607 2.392 30 10 JEEE C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1359118168 RLNCUUHERQINDD-UHFFFAOYSA-N 471.425 2.482 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCCO[C@H](C)C1 1359328232 XMQIJWRWYBMOCI-MRXNPFEDSA-N 480.587 2.187 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1359330616 XKWLKHVTUOHLQM-HXUWFJFHSA-N 456.572 2.166 30 10 JEEE N#Cc1ccc(CN2CC[C@@H](NS(=O)(=O)c3cc(Br)cc(C#N)c3)C2=O)cc1 1463630970 FLTXKXPLJRHDJZ-GOSISDBHSA-N 459.325 2.272 30 10 JEEE C[C@H]1CN(CCN(C)c2nnc(COc3ccc(C#N)cc3)n2C[C@@](C)(O)C2CC2)C[C@@H](C)O1 1505290740 DCBYHHDFSPGWCV-HHJKRLRDSA-N 468.602 2.435 30 10 JEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CC(C)(C)c1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1507622293 CZTSWUBBQBTQJR-HXUWFJFHSA-N 499.637 2.127 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CCC1(O)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1507626915 HLNIKYKEPKDETC-OAQYLSRUSA-N 472.611 2.066 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CCCCN2CCN(CC)CC2)CC1 1507738291 LQILJHCVHLVYFN-UHFFFAOYSA-N 492.672 2.032 30 10 JEEE C=C(C)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCN(CC(=O)NC(C)C)CC1 1507829784 FZXCTORXSXTPNY-UHFFFAOYSA-N 492.628 2.459 30 10 JEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2cccc(OC)c2)C1 1507968572 VLOLTYXLBLAAKX-FPOVZHCZSA-N 476.599 2.359 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(N(C)C)cc1C 1508019354 KXBYXNMXBCGVEF-OAQYLSRUSA-N 474.631 2.212 30 10 JEEE C=CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@H]1CCS(=O)(=O)C1 1508038598 URSVKEMZIIDCNW-QGZVFWFLSA-N 456.572 2.409 30 10 JEEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1508059343 SGNHKXQLOBABDX-VQTJNVASSA-N 487.605 2.491 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1508135170 KRVJMIWTRNSZMF-IBGZPJMESA-N 489.642 2.244 30 10 JEEE C=CCSCCn1c(Cc2cccnc2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1508161564 GABRJLODGAURLZ-SIKLNZKXSA-N 469.659 2.172 30 10 JEEE CC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCC(O)CC2)CCN1CCOC 1514136613 DQCVPIJVRFQROV-HSZRJFAPSA-N 481.645 2.211 30 10 JEEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1539124423 GHEBRIAHDSVMHO-ACRUOGEOSA-N 488.633 2.157 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC1(CCOCC)CC1)[C@@H]1CCS(=O)(=O)C1 1539219483 CVLRYNDEMNCRFG-RTBURBONSA-N 450.605 2.006 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1C[C@@H](c1cccc(C)c1)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1539219698 LYBINTZLCSOYIX-ZEQRLZLVSA-N 499.681 2.485 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@@H]1CCCS(=O)(=O)C1 1539395896 KAZBGBRYLXIEHU-MSOLQXFVSA-N 464.563 2.468 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2CCOc2ncccc2F)CC1 1539453745 PVQQLKMNCPADLL-UHFFFAOYSA-N 450.518 2.246 30 10 JEEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2CCN(C)CC(F)(F)F)CC1 1539459339 DYONSKCFDXBXOY-UHFFFAOYSA-N 450.509 2.149 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[C@H](C)c2ccccc2)CC1 1539481225 ISCHVCXICQXMJH-UGKGYDQZSA-N 483.638 2.340 30 10 JEEE C=CCCOCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1540040023 MHLXCNPTYULJRM-UHFFFAOYSA-N 493.612 2.116 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(F)cc2Br)nnc1N1C[C@H](C)O[C@H](COC)C1 1540866562 RPWYNVKHNJNBEE-ZFWWWQNUSA-N 482.354 2.389 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCC(C(=O)NCc2ccc(C)cc2)CC1 1540868587 KFOVVWATNMINFQ-UHFFFAOYSA-N 461.570 2.417 30 10 JEEE Cc1nnc([C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCC(=O)NC(C)(C)C)CCO2)o1 1543097593 FLGHMGWELRCGHA-GOSISDBHSA-N 464.530 2.391 30 10 JEEE CCc1cnc(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(CC#N)CC2)s1 1546333397 AGXKXGMQNIPLQZ-SFHVURJKSA-N 493.659 2.003 30 10 JEEE CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1548317693 GBMIYJUDJAYPFX-UHFFFAOYSA-N 486.989 2.021 30 10 JEEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CCCSC2)c1 1552880275 GGEZOCGREIETPU-FUHWJXTLSA-N 476.628 2.067 30 10 JEEE CN(CCN1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(N(C)C)CCSC1 1554300970 BVVHLBJDUDSTTP-QHCPKHFHSA-N 455.632 2.022 30 10 JEEE CO[C@]1(C)CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)c2cc[nH]n2)CC1 1554695440 BACVXMGVGLZKCW-XMMPIXPASA-N 478.557 2.277 30 10 JEEE COc1ncccc1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(C#N)CC1 1555125096 FPLMDILZLOQOAA-UHFFFAOYSA-N 481.582 2.387 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1C[C@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1587683278 GHLSWTLRJPDTHS-ZWJSTQBLSA-N 489.617 2.484 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2CCOC2)c1 1587697366 OYGVRZBOMYVSFK-DXIQSLLYSA-N 453.543 2.095 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@H]1CC(F)(F)CO1)[C@H]1CCS(=O)(=O)C1 1588070217 XIWBYBDZJORNHW-FUHWJXTLSA-N 484.500 2.047 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2ccccc2F)n1CCN1CCN(C(C)=O)CC1 1588180074 ACRYZBHIBITYHI-HXUWFJFHSA-N 466.561 2.184 30 10 JEEE C#CCN1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCCOC(F)(F)F)CC1 1588806271 LICKITKCSPIWSD-UHFFFAOYSA-N 461.448 2.276 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@H](NC(=O)OC(C)(C)C)C(C)C)CC1 1588923764 LNQYDGQCOXBCGF-FQEVSTJZSA-N 496.616 2.250 30 10 JEEE C=C(Cl)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@H](C)C(=O)NC 1593884069 BHIOQSUPPFECKT-DZGCQCFKSA-N 456.975 2.157 30 10 JEEE C=CCCOCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1594802907 KJMGDOYTLJAXPZ-UHFFFAOYSA-N 485.614 2.195 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCOC[C@@H]1C 1595075764 KOCOCYJTFPRNEY-FPOVZHCZSA-N 489.642 2.102 30 10 JEEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1595569607 KGHWTADYKINUHZ-UHFFFAOYSA-N 465.602 2.093 30 10 JEEE C=CCOc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)CC(=O)NC(C)(C)C)cc1 1595613330 CEAYLZNTNGITSP-SFHVURJKSA-N 475.615 2.144 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N(C)C1CCC(NC(C)=O)CC1 1595778260 XMUQVMKZYBCXCU-UHFFFAOYSA-N 475.615 2.438 30 10 JEEE CC(C)NC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1609889224 DMILUSCMYHRUSO-UUOWRZLLSA-N 468.558 2.028 30 10 JEEE N#Cc1cccc(NC(=S)N[C@@H]2CO[C@@H]3[C@@H]2OC[C@H]3n2cc(COc3ccccc3)nn2)c1 1616130088 NYZSTWBTWJLBQU-YSFYHYPLSA-N 462.535 2.423 30 10 JEEE COc1cc(Cl)ccc1-c1nnc(N2CCC[C@](C)(C#N)C2)n1CCNS(C)(=O)=O 1619110013 AWGOTLMBWJVBNH-LJQANCHMSA-N 452.968 2.286 30 10 JEEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCC[C@@H]2C)C[C@@H]1C 1619951656 HQFLYWRPXVSQMN-SFTDATJTSA-N 467.618 2.370 30 10 JEEE C#CCN1CCC(NC(=O)c2cccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)c2)CC1 1635160196 IXQNMIGXDCDYKI-UHFFFAOYSA-N 455.536 2.086 30 10 JEEE COc1ccccc1OCc1nnc(N2CC[C@@](F)(C#N)C2)n1CCN1CCN(C)C(C)(C)C1 1649681799 HGUXICLXXFGFLC-XMMPIXPASA-N 471.581 2.334 30 10 JEEE CN1CCN(c2ncccc2CNC(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)CC1 1683415824 HEKZIIXXQXOCQC-UHFFFAOYSA-N 453.978 2.390 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCCN(C)S(=O)(=O)CC 1689834196 ZFXKDCCPNUAFHQ-QGZVFWFLSA-N 455.588 2.465 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C)n2CCCN2CCN(c3ccncc3)CC2)c1 1689868752 PWRYPUKNNLDLNM-UHFFFAOYSA-N 472.597 2.250 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1Cc1ccc(C(=O)NCC)cc1)[C@@H]1CCS(=O)(=O)C1 1689979761 GULKCNXVMJOIKH-YLJYHZDGSA-N 457.600 2.216 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CC[C@H](OC)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1689984347 NUNTXRQINXPXHA-ROUUACIJSA-N 481.500 2.411 30 10 JEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@H](c1ccc(C)cc1)N1CCOCC1 1690053068 WWRFVEQAEQNPLL-XMMPIXPASA-N 474.609 2.245 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(F)ccc2Br)n1C[C@@]1(O)CCO[C@H]1C 1690095493 RRTPZFJRPUQJFQ-XOBRGWDASA-N 467.339 2.473 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H](C(C)C)N2CCCC2)CC1 1690113384 ICFXMFKIVMXZOL-DHLKQENFSA-N 458.651 2.194 30 10 JEEE C=C(C)COCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1690305806 IKYMRNVVMPUYOP-VWLOTQADSA-N 498.584 2.370 30 10 JEEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(c2ncccc2F)CC1 1690452024 VIIGPWKPLUCHLU-KRWDZBQOSA-N 465.599 2.495 30 10 JEEE C=CCN(CC=C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCCS(=O)(=O)C1 1690591796 VBHAACGGJKZVGJ-QGZVFWFLSA-N 478.644 2.241 30 10 JEEE C=CCNC(=O)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N(C)CCC(=O)NC 1690660298 DGLKQUNMIQUTRA-UHFFFAOYSA-N 453.572 2.252 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 1690662890 FWJIKTMAYUQGNY-UHFFFAOYSA-N 471.569 2.359 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1690681139 HGKNGKKQIBHJFS-IBGZPJMESA-N 473.599 2.141 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC(c2cnn(CC)c2)CC1 1690724454 PLFILAIQHXPESM-LJQANCHMSA-N 462.620 2.373 30 10 JEEE COCCN(CCC#N)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCOC[C@H]1C 1698060293 BDPXNVTYNDVYGM-MSOLQXFVSA-N 465.558 2.231 30 10 JEEE N#Cc1ccc(OCc2nnc(N3CCC(C#N)CC3)n2C[C@H]2CCCS(=O)(=O)C2)cc1 1698488526 DKAKWHVRTXSIER-LJQANCHMSA-N 454.556 2.294 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCS(=O)(=O)NC(C)C 1705491520 DLRDLPZNEAHLNP-ROUUACIJSA-N 482.651 2.178 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCCCOC)[C@@H]1CCS(=O)(=O)C1 1705561266 ONKSNQXPGWHTGT-OAHLLOKOSA-N 470.393 2.089 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCC(=O)NC1CCCCC1 1705606828 HDNXSNPQNMEWSQ-UHFFFAOYSA-N 486.642 2.494 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccccc1OC)N1CCCC1 1705612485 HQHRTVVZFVPBEB-CTNGQTDRSA-N 471.627 2.485 30 10 JEEE CC(=O)NCC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)CN2CCOCC2)CC1 1706044191 HVPUIXYQIJPASS-IBGZPJMESA-N 465.602 2.138 30 10 JEEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)N2CCC(OC)CC2)CCO1 1712303007 CNTAXPKRPDYWLP-QHCPKHFHSA-N 498.628 2.470 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@]1(O)CCS(=O)(=O)C1 1722283536 VPTNMJSVZRJHGV-KPZWWZAWSA-N 487.807 2.369 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CC(=O)N(C)C2CCCCC2)c1 1722306429 RXHKDJDVEZXEOY-UHFFFAOYSA-N 493.612 2.264 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC[C@@](C)(O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1722372557 ZBOADNMJRLTZGP-RCZVLFRGSA-N 496.637 2.064 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1722386731 JDWBRPMQBIMANI-OAQYLSRUSA-N 481.564 2.302 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(OC(F)F)c2)n1CCN1CCN(C(C)=O)CC1 1722390497 SGORVGHMGKQFND-UHFFFAOYSA-N 470.524 2.174 30 10 JEEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCO[C@H](C)C1 1722424860 CFVMCOYJLSIWET-QZTJIDSGSA-N 460.604 2.139 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCN2CCN(C)C(C)(C)C2)CC1 1722434095 JOCPBRHWECLURS-UHFFFAOYSA-N 486.064 2.388 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2Cc2ncccc2N(C)C)CC1 1722446287 QRUHEXMCKKWVQP-UHFFFAOYSA-N 458.570 2.124 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2Cc2cnnn2C)CC1 1722449345 IJECWVMSVYPWDW-UHFFFAOYSA-N 490.612 2.432 30 10 JEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1722602636 AHBOMCCWFPQMIH-IRXDYDNUSA-N 494.584 2.040 30 10 JEEE C=CCCCn1c([C@H](CC)c2ccccc2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1722610454 QIWCHQRAANLBFP-HXUWFJFHSA-N 478.601 2.253 30 10 JEEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1722682829 MBMWOCHQGVRQRP-CVEARBPZSA-N 456.613 2.158 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCN(C(C)C)CC1 1722727542 MNQYLOILTLDXHE-UHFFFAOYSA-N 469.615 2.262 30 10 JEEE C[C@H]1C[C@H](CCn2c(-c3cccc(C#N)c3)nnc2N2CCCN(S(C)(=O)=O)CC2)CCO1 1726471236 GDHIBKKDCUBROM-RBUKOAKNSA-N 472.615 2.494 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2C[C@@H](C(C)C)N2CCOCC2)c1 1740564829 YXOFUBRZSJBXQX-GMAHTHKFSA-N 480.613 2.195 30 10 JEEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@H]1CCCCS1(=O)=O 1740607330 MTNBTCGLYHHNGU-KRWDZBQOSA-N 468.583 2.273 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCc1ccn(C)n1 1740639656 WNSRDQFXWZIFJI-IBGZPJMESA-N 451.575 2.442 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H](C2CC2)N(C)C)CC1 1740707063 NECSZMFRCGHAKJ-JOCHJYFZSA-N 452.578 2.314 30 10 JEEE C#CCSCCn1c(-c2cccc(Cl)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1740711663 QOTCKIHQRREDMG-KRWDZBQOSA-N 458.975 2.438 30 10 JEEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1740715348 XKOFWTLJAICPMF-HXUWFJFHSA-N 467.643 2.230 30 10 JEEE C=C(Br)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCS(=O)CC1 1740745161 NXFWENGAKGGPSJ-AWEZNQCLSA-N 490.424 2.064 30 10 JEEE C=C(C)COCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCN(CC(=O)NCC)CC1 1740791426 GPVGICPUPLRIGB-UHFFFAOYSA-N 451.575 2.277 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1740993235 ZVTBQEBOWZZOTN-UHFFFAOYSA-N 457.604 2.061 30 10 JEEE CNC(=O)[C@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(N(C)C)CCSC2)C1 1748142935 BCEHNXZJKBJMBE-RPWUZVMVSA-N 483.642 2.128 30 10 JEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1748760093 SXBWIKAGJPRFQW-KRWDZBQOSA-N 488.614 2.413 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC(=O)NCCC)[C@H]1CCS(=O)(=O)C1 1748805358 QLJWZNJNGJJOBO-WMZOPIPTSA-N 494.017 2.224 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H]1CC(F)(F)CO1)[C@H]1CCS(=O)(=O)C1 1748808899 IMOKVBJXVKXFIV-DLBZAZTESA-N 496.536 2.013 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1748889440 JUZWGLAQGNWLPN-HXUWFJFHSA-N 485.610 2.239 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2Cc2cccc(N3CCOCC3)c2)CC1 1749004483 JWDAVGNEJBSHCB-UHFFFAOYSA-N 450.587 2.252 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](O)(c2ccccc2F)C1 1749103790 DDDDBXAQDMNEJZ-AUUYWEPGSA-N 485.379 2.326 30 10 JEEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1749232646 RWWLDBZPAYVLMX-UHFFFAOYSA-N 464.574 2.290 30 10 JEEE C=CCCCCn1c(N2CCC([C@]3(C)NC(=O)NC3=O)CC2)nnc1[C@@]1(OCC)CCOC1 1749408834 OCENMOUJOPQMSM-XZOQPEGZSA-N 460.579 2.101 30 10 JEEE C=CCCOCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1749445847 ZLOHQOMZXHBAET-OAHLLOKOSA-N 464.368 2.184 30 10 JEEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(C)cc2)C(=O)C1 1749459549 MWNWBACJMPLGBF-UHFFFAOYSA-N 452.559 2.155 30 10 JEEE C=CCN(CC=C)c1nnc(CN2CCCC2=O)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1749578628 DCIBICYMDJVAOW-IBGZPJMESA-N 451.575 2.247 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CN2C[C@H](C)O[C@H](C)C2)CC1 1749659152 WDFNEHHGVAOHBN-BGYRXZFFSA-N 477.613 2.445 30 10 JEEE C[C@](O)(Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1)C1CC1 1751241026 DEBOTTHXXWDCNT-KKSFZXQISA-N 462.476 2.483 30 10 JEEE CC[C@H](C)[C@@](C)(O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCO[C@@H](C#N)C1 1752555516 ACFDOFRPQOOXIQ-UAVUOLJFSA-N 465.558 2.201 30 10 JEEE C#CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1760144541 SPMTVDBVIJKUFH-UHFFFAOYSA-N 458.588 2.032 30 10 JEEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@](F)(C#N)C1 1760276035 RBWIXCZTFCEJNB-FQEVSTJZSA-N 462.576 2.004 30 10 JEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCn2cc(Br)cn2)CC1 1760382183 KYFLVTWQDGLLCT-AWEZNQCLSA-N 472.413 2.094 30 10 JEEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](Nc2cc(OC)cc(OC)c2)C1 1760506776 MMNHBYMTKORPOT-HOTGVXAUSA-N 464.592 2.172 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CCN(CCOC)[C@H](C)C1 1760516155 WKJPEAKUPUFULF-MRXNPFEDSA-N 477.407 2.167 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CCN2CCOC[C@@H]2C1 1760519206 WDSKYTNJAFZHBD-HNNXBMFYSA-N 495.809 2.184 30 10 JEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)O[C@H](c2ccsc2)C1 1760557328 HUXAOBAMVKFJIS-WMZOPIPTSA-N 479.628 2.029 30 10 JEEE CCC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCc2cnn(C)n2)CCO1 1765653969 HVPUKRKIXFAGPZ-OAQYLSRUSA-N 450.547 2.495 30 10 JEEE CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 1769324802 CFVPVXVENRIXIV-KRWDZBQOSA-N 450.503 2.037 30 10 JEEE COc1ccc(CCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H](C(C)C)N2CCOCC2)cc1 1770137063 GJCCDMSJQZCKEX-XZOQPEGZSA-N 468.602 2.157 30 10 JEEE CC(=O)NS(=O)(=O)c1ccc(NC(=O)C(=O)/C=C/c2ccc(Br)cc2)cc1 1860725488 OXZIJRPXBPLLQU-NYYWCZLTSA-N 451.298 2.495 30 10 JEEE CC(=O)N(CCN)C(=O)[C@@H](NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1)c1ccccc1 1868794843 GZXXCSOXNAPAFN-UNMCSNQZSA-N 467.595 2.216 30 10 JEEE COc1ccc(-n2nnc(C#N)c2NC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)cc1Cl 1870142706 JEXCBBJMJFARAF-LLVKDONJSA-N 450.842 2.424 30 10 JEEE C=CCn1c(C(=O)NCCCO)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873593280 MOYDUHQZBSVXDT-UHFFFAOYSA-N 450.543 2.065 30 10 JEEE CC(C)(C)OC(=O)NC[C@H](CO)NC(=O)c1ccc(Cl)cc1B1OC(C)(C)C(C)(C)O1 2255538051 FGQZXDWAFDOPRZ-CQSZACIVSA-N 454.760 2.255 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2255712068 IHMNQYGCNXXPSX-CQSZACIVSA-N 452.382 2.413 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](NS(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2255796050 ZXNMHDJRODLCNR-HNNXBMFYSA-N 472.438 2.476 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@H](NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2255949505 ZUJFXNGKEYSJQR-WKILWMFISA-N 452.382 2.320 30 10 JEEE CC(C)(C)OC(=O)N1CC(OCC(=O)NCc2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2256626824 OMCVOYGLDUZJQA-UHFFFAOYSA-N 452.382 2.299 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NC[C@H](C)[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)C1 2266487399 ZFOXEPYKOKUOFM-KVKYLLRRSA-N 465.591 2.417 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCO[C@H]2[C@H]1NC(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2266994272 SCYXEGBCFSJAKS-NKKGCODLSA-N 464.393 2.458 30 10 JEEE Cc1ccc(S(=O)(=O)NC[C@@H]2C[C@@H]2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2267360390 UFWLODUZXYDFGN-RDJZCZTQSA-N 466.409 2.486 30 10 JEEE CC(C)(C)OC(=O)NCCOCCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1F 2267414017 JDDMLWDXXNAKTL-UHFFFAOYSA-N 452.332 2.396 30 10 JEEE CO[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2267547192 HJQWPTXCYPSJMP-CABCVRRESA-N 467.397 2.197 30 10 JEEE CC1(C)OB(c2cncc(C(=O)N[C@H]3CCOC[C@@H]3NC(=O)OCc3ccccc3)c2)OC1(C)C 2267587965 FFTIXDLJGHYVGB-SFTDATJTSA-N 481.358 2.195 30 10 JEEE CO[C@@H]1C[C@@H](C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)N(C(=O)OC(C)(C)C)C1 2268642966 ILJNLFQDJOGXNI-KGLIPLIRSA-N 467.397 2.083 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1NC(=O)[C@H](CCO)NC(=O)OC(C)(C)C 2268709047 JAXVAAZHSCAIRY-HNNXBMFYSA-N 450.341 2.209 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@]12COCCN(C(=O)[C@H]1C[C@H]1B1OC(C)(C)C(C)(C)O1)C2 2281928309 LKRBRPJHUIKZMT-MFEFFIJZSA-N 466.384 2.334 30 10 JEEE Cc1nn(C)c(C(=O)N2CC[C@](C)(CNC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2281991967 HYZXMOFXKWKJFC-HSZRJFAPSA-N 462.400 2.405 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)[C@H]2C1 2282042902 KGAWQIULMJDWST-ZOBUZTSGSA-N 460.384 2.095 30 10 JEEE CC(C)(C)OC(=O)N1CC(N(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)[C@@H]2CCOC2)C1 2282209815 XNEDMSRZNLYUBY-OAHLLOKOSA-N 462.352 2.429 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1[C@@H]2CN(S(=O)(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)cc3F)C[C@@H]21 2282322181 HUNDYLQMOUTCPQ-HWWDLCQESA-N 482.383 2.269 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N(CCC(N)=O)Cc1ccccc1 2282488823 BCOVWMJTJZILMY-UHFFFAOYSA-N 474.388 2.061 30 10 JEEE C[C@@H]1CCN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1NC(=O)C(F)(F)F 2282496445 AXLXFRBOEOLMAS-OCCSQVGLSA-N 496.382 2.266 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H](NC(=O)OC(C)(C)C)CC12CCC2 2282532771 BWGBPVOETZKIIW-OAHLLOKOSA-N 460.384 2.381 30 10 JEEE CS[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 2282582483 XEEPMKRNFGRFJC-CABCVRRESA-N 480.440 2.108 30 10 JEEE Cn1cc(C(=O)NC[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2282584702 WIUCNSPCAMGJKW-ZBFHGGJFSA-N 462.400 2.389 30 10 JEEE Cc1c(C(=O)N(C)[C@@H](C)C2CN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282594065 ZKQYDAOOHHVAQN-AWEZNQCLSA-N 462.400 2.355 30 10 JEEE Cc1c(C(=O)N2CCC3(CN(C(=O)OC(C)(C)C)C3)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282595830 ZHOQENSLGWOYRE-UHFFFAOYSA-N 460.384 2.111 30 10 JEEE CC1(C)OB(c2cc(C(=O)N3CC[C@@](CNC(=O)C(F)(F)F)(C4CC4)C3)ns2)OC1(C)C 2282599115 QXCAGFPOIGYBFK-IBGZPJMESA-N 473.326 2.363 30 10 JEEE CC(C)(C)OC(=O)N(CCO)[C@@H]1CCCN(C(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)C1 2282618562 NASJQGVDMLWIRF-OAHLLOKOSA-N 481.424 2.276 30 10 JEEE CC(C)(C)OC(=O)N1CC=C(CNS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CC1 2282825155 HMKHMQWRPIZUJJ-UHFFFAOYSA-N 479.408 2.226 30 10 JEEE CC(C)(C)OC(=O)NCC[S@@](C)(=O)=NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(O)cc1O 2282966403 JGTACSJCGRHYCN-MGBGTMOVSA-N 484.380 2.160 30 10 JEEE C[C@H]1CN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C[C@]1(C)CNC(=O)OC(C)(C)C 2283061768 QPUNEAFZSHONON-WNSKOXEYSA-N 460.384 2.399 30 10 JEEE CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccc(B2OC(C)(C)C(C)(C)O2)s1 2283958385 YQFXACGNHDLSIH-INIZCTEOSA-N 482.408 2.462 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2CCO[C@@]2(C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)C1 2283959915 RMBZXXYUPAJNIY-PEBXRYMYSA-N 479.408 2.085 30 10 JEEE COC[C@@]1(C(=O)N[C@H]2CCC=C2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)CCO1 2283960243 WASBVDZLEYMVFA-GAJHUEQPSA-N 466.384 2.475 30 10 JEEE CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1cc(B2OC(C)(C)C(C)(C)O2)cs1 2283966852 XOUAQBPCQJMFCW-MRXNPFEDSA-N 482.408 2.462 30 10 JEEE Cc1nc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H]2CCCO2)ncc1B1OC(C)(C)C(C)(C)O1 2284043233 XHTLINUSVDAPFP-CVEARBPZSA-N 462.356 2.095 30 10 JEEE CC(C)(C)OC(=O)N1CC(O)([C@H](F)C(=O)Nc2ccc(F)c(B3OC(C)(C)C(C)(C)O3)c2)C1 2284059743 VLHAOJPOFFPVFY-MRXNPFEDSA-N 468.306 2.383 30 10 JEEE C[C@H]1OC2(C(=O)NCc3ncc(B4OC(C)(C)C(C)(C)O4)s3)CC1(NC(=O)OC(C)(C)C)C2 2284121677 FGZCHVJETLDDOL-ZOEHTXHGSA-N 479.408 2.273 30 10 JEEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2301497339 RXRWUVZMTYPHSV-WOJBJXKFSA-N 451.633 2.426 30 10 JEEE COc1ccc(N2C[C@@H](c3nnc(SCCO)n3N=Cc3ccc(OC)c(O)c3)CC2=O)cc1 2325882528 ZYLXLRGWFPITNO-INIZCTEOSA-N 483.550 2.488 30 10 JEEE CN(C[C@H]1COCCN1C(=O)OC(C)(C)C)C(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2337397993 JOUMRWYVUBQYIO-AWEZNQCLSA-N 467.397 2.150 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)[C@H](CO)CC1 2362565251 BSJHXAZOBABDKH-HOCLYGCPSA-N 481.424 2.180 30 10 JEEE CC1(C)OB(c2ccc(CS(=O)(=O)N[C@H](CCO)COCc3ccccc3)cc2)OC1(C)C 2369629498 NANHWMAHENAHNG-JOCHJYFZSA-N 475.416 2.373 30 10 JEEE CCOc1cc(/C=N/Nc2nnc(SCC(=O)Nc3ccc(OC)c(OC)c3)n2N)ccc1O 21326580 OLKVGCOZGPLPHQ-FOKLQQMPSA-N 487.542 2.290 30 10 JEEE COc1ccc(CNC(=O)CSc2nnc(N/N=C(\C)c3ccc(OC)cc3)n2N)cc1 21328205 ILQDDGGTISNZDU-ZVHZXABRSA-N 455.544 2.254 30 10 JEEE COc1ccc(NC(=O)CSc2nnc(N/N=C(\C)c3ccccc3O)n2N)cc1OC 59829725 LDLGHPBMXLRKTK-FSJBWODESA-N 457.516 2.282 30 10 JEEE N#Cc1cccnc1N1CCC(CNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)CC1 70929425 CWKQOQJUYCGQDW-UHFFFAOYSA-N 453.568 2.384 30 10 JEEE CC(=NNc1nc2c(c(=O)n(C)c(=O)n2C)n1C[C@@H](O)COc1ccccc1C)c1ccccc1 254348886 GUKATGUIVISIMO-LJQANCHMSA-N 476.537 2.018 30 10 JEEE C=CCNC(=O)CN1CCN([C@@H]2CC(=O)N(c3ccc(Cl)cc3C(=O)c3ccccc3)C2=O)CC1 493506030 CFQYKBHXEMKFRN-JOCHJYFZSA-N 494.979 2.123 30 10 JEEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCC[C@H]2C(=O)N2c3ccccc3C[C@@H]2C)CC1 514363907 HRTNOHKULLIZJY-KSEOMHKRSA-N 452.599 2.217 30 10 JEEE COc1cccc(Oc2ccc(CNC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)cn2)c1 1136288640 CJKBMYOFWDIUOX-UHFFFAOYSA-N 452.492 2.349 30 10 JEEE C#CC[C@@H](CCOC)NC(=O)c1ccc(NC(=O)C[C@H]2SC(N3CCCC3)=NC2=O)cc1 1149972516 VBGRBFYHLNIDNY-PKOBYXMFSA-N 456.568 2.267 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1CC[C@](C)(O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1286386881 IVUPEGSGOBEZSA-YKSBVNFPSA-N 465.579 2.265 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CC1(C)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1286388325 NJFHYRMFXKCVBK-LJQANCHMSA-N 458.584 2.397 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H](F)COC)[C@@H]1CCS(=O)(=O)C1 1286388621 SKUHKEHIMPPFJN-HUUCEWRRSA-N 458.918 2.349 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(S(C)(=O)=O)CCCC1 1286421271 CSVBCKNRNINLBI-HSZRJFAPSA-N 462.616 2.139 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCOc2ccccc2Cl)CC1 1286489700 CTMHNSISVLQSHS-UHFFFAOYSA-N 467.961 2.377 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H]2CCCN2CCCO)CC1 1286491126 GIUMCROCHGWWBP-HSZRJFAPSA-N 499.059 2.335 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CC2C[C@@H](C)O[C@H](C)C2)CC1 1286491228 JJIATKBIVXMNAE-RTBURBONSA-N 450.587 2.433 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CCSC(F)(F)F)CC1 1286494372 MUDMSORGVUKEMI-UHFFFAOYSA-N 452.506 2.483 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CCCNC(=O)OC(C)(C)C)CC1 1286495232 XKKMAPNFRIEODR-UHFFFAOYSA-N 481.601 2.145 30 10 JEEE C#CCSCCn1c(COc2ccc(F)cc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1286510290 OHBZKSXLTNUVHG-OAQYLSRUSA-N 464.588 2.378 30 10 JEEE C=C(Br)Cn1c(-c2noc3c2COCC3)nnc1N(CCO)CCOCC(F)(F)F 1286539218 WADZJGUINBKBCS-UHFFFAOYSA-N 496.284 2.292 30 10 JEEE C=C(Br)Cn1c(Cc2ccsc2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1286545435 XDBAXYCUKLEOLO-UHFFFAOYSA-N 467.437 2.486 30 10 JEEE C=CCC(C)(C)Cn1c(-c2ccccc2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1286666013 BQROOVNSZXOFEQ-UHFFFAOYSA-N 466.586 2.055 30 10 JEEE C=CCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1286771193 AXVQBVBGJVHJLI-UHFFFAOYSA-N 475.347 2.423 30 10 JEEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 1286785417 FGQDEXITXKWPNH-UHFFFAOYSA-N 471.650 2.055 30 10 JEEE C=CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1286829941 HHUGDMNXETWDEH-INIZCTEOSA-N 488.639 2.217 30 10 JEEE CC[C@H]1CCCCN1CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](C#N)C1 1293362551 DZBUCWJOVMYFHI-VQTJNVASSA-N 472.615 2.342 30 10 JEEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1ccc(OC(F)F)cn1 1297253071 HHVYBSSVQQRCPE-MRXNPFEDSA-N 452.483 2.453 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1nc(C(C)(C)C)cs1)[C@H]1CCS(=O)(=O)C1 1300495022 BNLHHBROGTZZJX-HOTGVXAUSA-N 463.629 2.211 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@@](C)(O)c1ccco1)[C@H]1CCS(=O)(=O)C1 1300498065 GJKYOHOIEHVJIM-QMHKHESXSA-N 490.532 2.275 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@@H]1CCC[C@@H](O)C1)[C@H]1CCS(=O)(=O)C1 1300501642 MNCPEFPAUDFDIZ-BHIFYINESA-N 456.612 2.241 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccnc(OCC(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 1300506215 PJVTZWQHHVPPDU-IAGOWNOFSA-N 499.515 2.141 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(Br)cc2Cl)n1CC(=O)N1CCOCC1 1300656315 CXNBRBSRONDDBU-UHFFFAOYSA-N 496.793 2.306 30 10 JEEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1300754801 HQHYHICEOQZGIM-UHFFFAOYSA-N 454.648 2.096 30 10 JEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 1300756808 UFOPCWFETKHSDC-IEBWSBKVSA-N 458.632 2.071 30 10 JEEE C=C(Br)Cn1c(N2C[C@@H](C)[C@@H](N3CCN(C(C)=O)CC3)C2)nnc1C(C)(C)C 1300861462 IYNLXRAAIFWCTO-PBHICJAKSA-N 453.429 2.473 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cc(OC)c(OC)c(OC)c2)C1 1301558709 YAJKJRQHRLBDBQ-QZTJIDSGSA-N 492.598 2.036 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H](C)c1ccc(OC)cc1 1301568438 SJCOSAHEZJECJC-KRWDZBQOSA-N 461.588 2.321 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)C[C@H](C)CC 1301586073 PXYQAGFJMYKHTE-MRXNPFEDSA-N 458.588 2.275 30 10 JEEE C#CCNS(=O)(=O)N1CCN([C@@H](C)C(=O)Nc2ccccc2Sc2ccccc2)CC1 1307649233 AZTAYMOWQYLOII-SFHVURJKSA-N 458.609 2.250 30 10 JEEE CO[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1)C(C)C 1315213072 FAHFUSJGHNHDQS-WIYYLYMNSA-N 490.605 2.189 30 10 JEEE CS(=O)(=O)NC[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCSC2)C1 1316359847 FSZVLNOODFOBJH-OALUTQOASA-N 490.655 2.247 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc(Cl)nc3)n2C[C@H]2COCCO2)c1 1358901745 VOMCSNIVXVXDMR-IBGZPJMESA-N 466.929 2.465 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC1CCS(=O)(=O)CC1 1359022656 IBZWUCGTYMRSHX-UHFFFAOYSA-N 468.583 2.042 30 10 JEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@H](c1ccsc1)N(C)C 1359023650 QQZZNOWTUQETBD-GOSISDBHSA-N 456.572 2.456 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(F)cc3Br)n2CCN2CCOC[C@H]2C)CC1 1359032435 OAMWYCZLQSJIEN-QGZVFWFLSA-N 491.409 2.323 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(OCC)c(OC)c2)CC1 1359044482 HDRWGKCAUMDMQB-FQEVSTJZSA-N 467.570 2.203 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2Cc2cccc(NC(=O)OC)c2)CC1 1359046583 XVILZCMNRTWWQJ-UHFFFAOYSA-N 450.543 2.423 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCCc3ccccc3)n2C[C@]2(OC)CCOC2)CC1 1359046769 FKWBRXFVVGFMHD-AREMUKBSSA-N 465.598 2.225 30 10 JEEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1359062570 LUYZXMCCEZNSGD-ULQDDVLXSA-N 461.554 2.441 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc3cccnc23)nnc1N1CCN(C(C)=O)C[C@H]1C 1359329892 YKJLZIGAAHMNNO-QGZVFWFLSA-N 468.583 2.151 30 10 JEEE Cc1nc(C#N)c(N2CCN(C(=O)CN3C[C@H](C)N(Cc4ccccc4)[C@@H](C)[C@H]3C)CC2)o1 1460337975 AMOYGJUTQXTGNO-ZCNNSNEGSA-N 450.587 2.487 30 10 JEEE CS(=O)(=O)c1ccc(S(=O)(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)cc1F 1463990332 DKKBHWCRRWAJMR-UHFFFAOYSA-N 451.545 2.044 30 10 JEEE CC[C@H](C)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCCN(S(C)(=O)=O)CC1)OC 1494988701 FOQNGMGVCABEPF-PXNSSMCTSA-N 460.604 2.350 30 10 JEEE COc1ccc(CCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CN(CC(C)C)CCO2)cc1 1504230116 BRMTYTWDXLZKNP-XZOQPEGZSA-N 468.602 2.157 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](c1ccc(OC)cc1)N1CCCC1 1507514436 CUIUIHUWBRSXTK-WAOWUJCRSA-N 474.631 2.192 30 10 JEEE C#CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1507580120 SVSMSDAUOMLSHW-OAQYLSRUSA-N 466.586 2.119 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H]1CCC[C@H](O)C1)[C@H]1CCS(=O)(=O)C1 1507623767 WYYGCUJFIVBGNZ-HJNYFJLDSA-N 499.637 2.325 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1CCN(CC)C(C)C)[C@H]1CCS(=O)(=O)C1 1507629735 OZSBTPJCFDMKRL-IBGZPJMESA-N 459.616 2.311 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@](C)(O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1507631195 MSAGQZNYAYGAHU-HYBUGGRVSA-N 465.579 2.183 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2nccs2)CC1 1507733470 ZRQKHGYFDHLJJF-CALCHBBNSA-N 457.604 2.309 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H]2CCC[C@@H](O)C2)CC1 1507734992 GOBIJWDLQOERCQ-UYAOXDASSA-N 481.597 2.479 30 10 JEEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](c2ccc(OC)cc2)C1 1507868230 GCUNQZOLAGWVGC-PKOBYXMFSA-N 482.006 2.366 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1508090588 IBVIYSZTVHXONG-QHCPKHFHSA-N 495.672 2.381 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](COC)C1 1508091010 QZYSYIWCCJTMCX-ZWKOTPCHSA-N 462.595 2.168 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C)C(=O)[C@H]1C 1508103324 BKXZRWCZDKNQKT-QGZVFWFLSA-N 454.575 2.477 30 10 JEEE CCc1nnc(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CC[C@](F)(C#N)C2)s1 1513771880 GLBOSARJAYSLED-IBGZPJMESA-N 461.548 2.253 30 10 JEEE COc1ccccc1SCc1nnc(N2CCO[C@H](C#N)C2)n1CC1(N(C)C)CCOCC1 1518532201 IDFBQDQUHNCZBI-GOSISDBHSA-N 472.615 2.419 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2cc(CS(C)(=O)=O)ccc2OC)ccc1F 1525629737 VBXCBAIBPIPEEY-UHFFFAOYSA-N 456.517 2.096 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2CCc2ccn(C)n2)c1 1539046079 MOUBKXWAZLIBFC-UHFFFAOYSA-N 454.538 2.296 30 10 JEEE C#CCCCn1c(Cc2cccnc2)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1539127839 QUTJJYSTYBZMKX-FGZHOGPDSA-N 463.630 2.304 30 10 JEEE C#CCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H](N1CCOCC1)C(F)(F)F 1539165502 BZQPUQCMFULYCL-GOSISDBHSA-N 451.449 2.049 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1ccc(N(C)C)cc1C)[C@@H]1CCS(=O)(=O)C1 1539216449 SBEQKDAIAOLANP-HXUWFJFHSA-N 452.584 2.323 30 10 JEEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CC(=O)N(c2ccccc2)C1 1539237257 BPODGQLBMHZSRZ-RLWLMLJZSA-N 461.566 2.445 30 10 JEEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCN1CCC[C@@H](C)C1 1539272761 ATFFVZFPBKONFW-RUZDIDTESA-N 473.669 2.448 30 10 JEEE C#CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)Cc1cccc(C(N)=O)c1 1539511134 RFQKRXVOUNLTAB-UHFFFAOYSA-N 497.650 2.340 30 10 JEEE C=C(Br)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CCOC(C)C)CC1 1539573719 CDKKLYBYIHIROI-UHFFFAOYSA-N 478.395 2.381 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1539647053 VCLKBXBWBPSNGB-JQVVWYNYSA-N 458.607 2.124 30 10 JEEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2cc(C)ccc2OC)CC1 1539774536 CLIBWNDQGIBCDL-KRWDZBQOSA-N 483.038 2.280 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)Oc2ccccc2)CC1 1539890770 SOTAVUDVCZJANF-WIYYLYMNSA-N 475.615 2.481 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccco1 1540128528 NCQMQGWHIGLVOT-OAQYLSRUSA-N 482.566 2.317 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC(c3ccnn3C)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1540876576 VPYHQSJXYFNCPI-KDURUIRLSA-N 498.632 2.469 30 10 JEEE C=CCOc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@@H]2CCN(C(C)=O)C2)cc1 1540877756 DXVUORYQEBADII-SFTDATJTSA-N 487.626 2.098 30 10 JEEE CC(C)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(S(C)(=O)=O)CCC2)[C@@H](C)C1=O 1541558230 ATTMQFXKSTUUKY-SFHVURJKSA-N 484.626 2.477 30 10 JEEE CC(C)NS(=O)(=O)CCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCO[C@@H](C#N)C1 1543874029 BJGSHKCGOGRNOD-RDJZCZTQSA-N 478.644 2.188 30 10 JEEE C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)CC1)N1CCC[C@@H](C)C1 1544057360 AJXYGQZFIJYMCI-MOPGFXCFSA-N 471.631 2.019 30 10 JEEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)C(F)(F)F)CC1 1544667976 CORWNOMUQBKFBD-MJGOQNOKSA-N 468.476 2.283 30 10 JEEE Cc1c(Br)c(C)n(NC(=O)[C@@H]2CCS(=O)(=O)c3ccccc32)c(=O)c1C#N 1558973202 HPSCKJLLAZIWIU-CYBMUJFWSA-N 450.314 2.131 30 10 JEEE COC(=O)c1ccc(C(F)(F)F)cc1S(=O)(=O)N1CCN(c2cnccc2C#N)CC1 1561611463 BSCDTNODSXAUDO-UHFFFAOYSA-N 454.430 2.270 30 10 JEEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 1587702251 RGLSGAMTCIZAKF-UHFFFAOYSA-N 454.550 2.250 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccccc1CN1CCC(O)CC1)[C@@H]1CCS(=O)(=O)C1 1588029443 IAVUKUGXLWXWBL-JOCHJYFZSA-N 499.681 2.207 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1ccccc1Cl 1588229144 RJIBWZSJORRNGL-VGOFRKELSA-N 460.987 2.204 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2CCn2cc(Br)cn2)CC1 1588780223 JOIQHTHOIHBIFB-UHFFFAOYSA-N 470.375 2.368 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](c2cccc(OC)c2)N(C)C)CC1 1588930253 QZBRKIWURGSZES-GGAORHGYSA-N 480.613 2.059 30 10 JEEE C#CCSCCn1c(N2CCCN(C(=O)C(C)C)CC2)nnc1[C@]1(OC(C)C)CCOC1 1589125602 LWGMORHKWSRJDA-QHCPKHFHSA-N 463.648 2.380 30 10 JEEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1589382101 JHDPQODUNPURGB-INIZCTEOSA-N 491.438 2.157 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1589482446 JXCSCHJGOSKOOA-RLLQIKCJSA-N 457.579 2.192 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(CCOC)C(=O)C1 1589492226 ADHZCBOJGIMJGE-HNAYVOBHSA-N 493.406 2.312 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1593741295 MBJDHKRXIGZXPD-GOSISDBHSA-N 453.543 2.497 30 10 JEEE C=CC[C@@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cnccn1)c1ccccc1 1594543722 DPWBWCBFSLWRLU-UNMCSNQZSA-N 497.625 2.397 30 10 JEEE C=CCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC2(CC1)COC(=O)N2 1594788606 QCQRGQMCGRBUHV-UHFFFAOYSA-N 475.571 2.020 30 10 JEEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1594807212 HWLKSDXNIUZYCQ-QGZVFWFLSA-N 459.551 2.058 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCN1C1CCCCC1 1594963114 QKNGWKOEDMICBV-PMACEKPBSA-N 466.652 2.030 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCN2C(=O)CC[C@@H]2C1)C(C)C 1595165208 CQYZFJCKEWNEMU-NHCUHLMSSA-N 452.607 2.188 30 10 JEEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCC[C@]2(CN(Cc3ccccc3)CCO2)C1 1595766260 MZSKDXYZOKBOFX-QHCPKHFHSA-N 459.616 2.059 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N(C)Cc1nc(O)c2ccccc2n1 1595785273 UVKXTGDOVUACTB-UHFFFAOYSA-N 467.555 2.170 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1595822739 JTYSDHXHBSZGBX-HYBUGGRVSA-N 490.626 2.459 30 10 JEEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1595901062 OENLOSNCOJJGOX-UHFFFAOYSA-N 486.690 2.193 30 10 JEEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(F)c2N2CCOCC2)cc1 1617584155 YFYPAPBRMKAXNR-UHFFFAOYSA-N 451.907 2.480 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CSC[C@H]2C(=O)Nc2ccccc2)s1 1625190547 XSIARTLZEMEGKN-INIZCTEOSA-N 451.595 2.295 30 10 JEEE CCOC(=O)[C@@H]1Cc2cc(S(=O)(=O)N(CCN(C)C)Cc3ccc(C#N)cc3)ccc2O1 1653632897 DPLHNEHFNOEMMX-QFIPXVFZSA-N 457.552 2.177 30 10 JEEE C#CCN(c1nnc(C(C)C)n1C[C@@H](c1ccccc1)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1689980405 QZXILAHKSNCQBQ-YADHBBJMSA-N 471.627 2.102 30 10 JEEE C#CCN(c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC(=O)NCC=C)[C@@H]1CCS(=O)(=O)C1 1689982061 HECYTBTWCPPRPP-SJLPKXTDSA-N 487.651 2.060 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1CCCN1CC)[C@H]1CCS(=O)(=O)C1 1689983494 CJBSQVASRBLVMK-PMACEKPBSA-N 487.626 2.073 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1CCN1CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1689997270 ZAFZGTKUPNYGDE-WOJBJXKFSA-N 489.617 2.355 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(COC)CCC1 1690006270 MCZHYFUSJNJKSV-UHFFFAOYSA-N 455.584 2.085 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1ccn(C)n1 1690049089 YXIRYDXUWONWQZ-FQEVSTJZSA-N 467.574 2.026 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H](OC)c2ccc(F)cc2)CC1 1690138059 QVMYKQJGMCZURJ-NVQXNPDNSA-N 499.587 2.423 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1690228831 GWNPSMJYOCAINK-SJORKVTESA-N 451.369 2.491 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccc2F)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1690249362 XJPDDSZLPDCFOW-QWIQJREVSA-N 458.534 2.349 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1690249737 AAKZQTJDVQVROT-REWPJTCUSA-N 489.642 2.135 30 10 JEEE C=CC[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NS(=O)(=O)CC)CC1)c1ccccc1 1690444791 MBRUFYXRMVSSNE-TZIWHRDSSA-N 486.642 2.497 30 10 JEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 1690509220 ZWRYHRWFUIHYPE-RCCFBDPRSA-N 483.635 2.122 30 10 JEEE C=CCN(c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCS(C)(=O)=O)C1CC1 1690544113 ZMFHZTLMXPZBGY-UHFFFAOYSA-N 456.572 2.264 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1)C(C)C 1690581784 YOBFYAJBIISNSM-ZCNNSNEGSA-N 473.622 2.205 30 10 JEEE C=CCNC(=O)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CC(=O)N(C)C[C@H]1C 1690660332 FDJYODKXCSJARS-OAHLLOKOSA-N 465.583 2.346 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 1690667076 PLNLOBYFEMZCQC-WOJBJXKFSA-N 497.619 2.203 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CC(=O)N(c3ccccc3)C2)C1 1690684355 DOOOMQPNMOJKRG-QUCCMNQESA-N 452.559 2.251 30 10 JEEE Cc1nn(C)c(C)c1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1693400077 FPTFBEDWOXNVFM-KRWDZBQOSA-N 494.625 2.452 30 10 JEEE CNS(=O)(=O)CCn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N1CCO[C@H](C#N)C1 1697022216 DJDGVYHULJNDJH-MRXNPFEDSA-N 476.559 2.091 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1cc(F)ccc1SC)[C@@H]1CCS(=O)(=O)C1 1705566796 QCHDPDXDSKOUPH-MAUKXSAKSA-N 464.588 2.318 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](c1ccc(C)o1)N1CCOCC1 1705589771 WIGQTLCOSLLCPW-OAQYLSRUSA-N 487.564 2.363 30 10 JEEE C#CCN(CC)c1nnc(COc2ccc(Cl)cc2)n1CCN/C(O)=C1\N=CC=CC1=O 1705617174 WGUUKRQRAHEFBM-QZQOTICOSA-N 454.918 2.496 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCc2nnc(C)s2)CC1 1705632548 TUISXBUJNZCPEB-UHFFFAOYSA-N 485.017 2.019 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(OC)c(O)c2)CC1 1705650333 PEDNMKNKYOJTTE-UHFFFAOYSA-N 480.594 2.362 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(C(=O)NC)CC1 1705705309 GGXGXJUZSMVWJN-PXNSSMCTSA-N 472.615 2.213 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 1705722493 OJEOAQKHNRXJLO-INIZCTEOSA-N 469.633 2.031 30 10 JEEE C=C(C)COCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1705735675 CTXCYMCHOKUTHZ-BGYRXZFFSA-N 495.628 2.330 30 10 JEEE CC(C)CO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCN(C)C2)C1 1706530998 AAMJHUYVPRHTCD-ZJSXRUAMSA-N 454.575 2.047 30 10 JEEE CCN1CCN(CCCn2c(C(C)C)nnc2N2CCN(c3cc(C#N)ccn3)CC2)CC1 1710299876 HJPDMVBPRQYTNV-UHFFFAOYSA-N 451.623 2.022 30 10 JEEE C#CCN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H](C)SC)[C@@H]1CCS(=O)(=O)C1 1722359364 SEXJCTZXKIWZLX-CRAIPNDOSA-N 496.058 2.240 30 10 JEEE C#CCN(c1nnc(C2CCC2)n1CCc1ccc(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1722369299 XKRDMHPZBPXERY-LJQANCHMSA-N 458.584 2.432 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](CC=C)c1ccccc1 1722412588 BPLAKLNLOMERNS-LEWJYISDSA-N 457.600 2.430 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1coc(-c2ccc(C)cc2)n1 1722412913 FTIWHIOOBGFUAD-NRFANRHFSA-N 498.609 2.277 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC[S@](=O)CC)CC1 1722443639 XZWJJVAJHAIAJM-WJOKGBTCSA-N 465.982 2.472 30 10 JEEE C=C(Br)Cn1c(Cc2ccsc2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1722486685 AYECHTFHFMYTKW-CQSZACIVSA-N 477.392 2.371 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)N2CCCC2)CC1 1722493344 HHKDKOFKFASRNB-UXHICEINSA-N 458.607 2.236 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2ccc(F)cc2F)C1 1722523262 LEAZZBONYRGYBF-MOPGFXCFSA-N 483.541 2.043 30 10 JEEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 1722618858 WAECKBZVGZVOCB-HOTGVXAUSA-N 450.565 2.231 30 10 JEEE C=CCN(c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCNS(C)(=O)=O)C1CC1 1722649843 YYNQCZQWAKEJDR-MRXNPFEDSA-N 468.624 2.097 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c(C)nnc1N1CCN(c2ncnc3c2cnn3C)CC1)C(C)C 1722662721 MKWDQYTWEJBAGF-NRFANRHFSA-N 464.622 2.288 30 10 JEEE C=CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H]1CCCS(=O)(=O)C1 1722678421 QINNUPWIODABNA-KRWDZBQOSA-N 462.572 2.180 30 10 JEEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1722686147 RRRACPSVFGHULC-RBUKOAKNSA-N 473.578 2.183 30 10 JEEE C=CCOc1ccc(Cn2c(CN3CCCC3=O)nnc2N2C[C@@H](COC)O[C@H](C)C2)cc1 1722704340 GUEOSGBWIOPWCE-NQIIRXRSSA-N 455.559 2.254 30 10 JEEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1722739911 YTKSXUTYJXTFLY-IAGOWNOFSA-N 453.609 2.431 30 10 JEEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1722743068 PBLDAKSXMKJOMR-UHFFFAOYSA-N 461.636 2.048 30 10 JEEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1740579388 OJHXFZYORAPIQR-FQEVSTJZSA-N 471.650 2.133 30 10 JEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)[C@H](CC)C1 1740580646 FIVZBDHEYWNKOC-KSZLIROESA-N 482.651 2.431 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1Cc1ccc(F)cn1)[C@H]1CCS(=O)(=O)C1 1740625483 OBODQXUTXBHDBR-IBGZPJMESA-N 457.506 2.217 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccccc1Br)[C@H]1CCS(=O)(=O)C1 1740627036 OCRPUDGIZGWYSM-IRXDYDNUSA-N 479.400 2.220 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCO[C@H]1C(=C)C 1740632008 ZNQQWJKZSOUHRX-UNMCSNQZSA-N 467.595 2.249 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1740642614 SPJRUTXLRWWYLP-IBGZPJMESA-N 461.599 2.207 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1740742847 DBWCOYBYXMYOPR-NSHDSACASA-N 450.259 2.486 30 10 JEEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)CCN1CCOC(C)(C)C1 1740751026 XDBRECYKEYZLFQ-IRXDYDNUSA-N 472.428 2.458 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1740753872 OWJOYOYCNUJGEM-DSKINZAPSA-N 475.615 2.405 30 10 JEEE C=CCCCCn1c(-c2cccn2C)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1740859958 VGQIFFLQPWZGIG-IBGZPJMESA-N 462.620 2.271 30 10 JEEE C=CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@H]1CCCS(=O)(=O)C1 1740893410 JBICCLMRHFJYDM-OAHLLOKOSA-N 450.561 2.418 30 10 JEEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 1740942907 RHANSHQHUOCIPO-CZUORRHYSA-N 457.503 2.254 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCOC2(CCOCC2)C1 1740989140 AZUZYQKNBHTHSX-UHFFFAOYSA-N 450.536 2.071 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@H](CC)C1 1740994714 VFZCOEUVGDEJOV-PKOBYXMFSA-N 459.572 2.333 30 10 JEEE CC(C)[C@H](Cn1c(CN2CCCC2=O)nnc1N1CC[C@](F)(C#N)C1)NC(=O)OC(C)(C)C 1741319535 CZUJQMQSKISHFW-AOMKIAJQSA-N 463.558 2.392 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(S(C)(=O)=O)CCC1 1748672355 SLYNDSCDQRXQNC-DLBZAZTESA-N 481.619 2.012 30 10 JEEE C#CCN(c1nnc(C2CCCC2)n1CC1CCN(C(=O)OC)CC1)[C@H]1CCS(=O)(=O)C1 1748815301 OJDDYSNDSAGVBF-IBGZPJMESA-N 463.604 2.041 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCN(CCC)C2)CC1 1749019488 WBGZDBGEQONPBE-QFIPXVFZSA-N 489.624 2.426 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1749117900 ADBWXTPTGJICPI-RBZJEDDUSA-N 481.541 2.026 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCN(CC(C)C)C1 1749159812 ZFQQCKWHUFRDHF-SFTDATJTSA-N 482.695 2.381 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 1749650366 UKFOMSOUBFPSSI-OAQYLSRUSA-N 487.004 2.420 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCC(=O)NC(C)(C)C)C1 1749696846 XJBRDAFRDXIXAN-SFHVURJKSA-N 475.615 2.435 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1749731907 NHQDTCWZTLRHGD-UHFFFAOYSA-N 452.650 2.150 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CCCC3)n2C[C@H]2CCN(S(C)(=O)=O)C2)c1 1760127991 TUECYFHMLFAKSY-NRFANRHFSA-N 498.653 2.349 30 10 JEEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1760132007 BKORAJBWARRJNN-HXUWFJFHSA-N 471.627 2.311 30 10 JEEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1CN(C(=O)OC(C)(C)C)C1 1760173069 IVRHDZKIFSWLBM-UHFFFAOYSA-N 459.572 2.285 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1ccc(C)cc1OC)[C@H]1CCS(=O)(=O)C1 1760185226 SPAYDAWSCYQPTA-IBGZPJMESA-N 451.552 2.332 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](OC)c1ccc(Cl)cc1 1760249465 MHNIFJQQTOVMGL-HKUYNNGSSA-N 466.991 2.307 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(NC(=O)c2ccco2)cc1 1760249801 TVVNUSRULBHHBZ-LJQANCHMSA-N 497.577 2.160 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)N(C)c2ccccc2)CC1 1760265043 LYTRPCVHQLIYFL-FQEVSTJZSA-N 477.613 2.005 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ccccc2C#N)CC1 1760272824 WXLVUSPKKRUMTQ-UHFFFAOYSA-N 472.578 2.490 30 10 JEEE C#CCSCCn1c(-c2ccccc2C)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1760278093 LFIOGTPFRAFFGL-LJQANCHMSA-N 452.584 2.387 30 10 JEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ncc(CC)s1 1760440904 SSIYUWNZWGWDKA-MRXNPFEDSA-N 454.622 2.233 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)c1c(C)noc1C 1760495689 URONNZMFGJCSNS-CRAIPNDOSA-N 464.592 2.198 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(CC(F)F)CC1 1760515943 HWWNFLSHLZAXBW-OAHLLOKOSA-N 452.481 2.247 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc3ncccc3c2)C1 1760534880 IGKQPNFQPVGKKA-VQIMIIECSA-N 456.572 2.266 30 10 JEEE CCCC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)C(C)C)C1 1765376177 BZZMHUYIZHAIGW-HXUWFJFHSA-N 451.575 2.474 30 10 JEEE CCS(=O)(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cnn(CCOC)c2)CC1 1768201908 HUNMNVNIEWLXEL-UHFFFAOYSA-N 483.598 2.111 30 10 JEEE CN1CCCC(C)(C)[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C(N)=O)C1 1769064914 GPXSVFSTXATHNR-ICSRJNTNSA-N 451.575 2.161 30 10 JEEE CC[C@](C)(NC(=O)c1ccc2c(c1)C(=O)N([C@@H](C)C(=O)O)C2=O)C(=O)N[C@@H](C#N)c1ccc(C)cc1 1867498689 VJMUTQIPBUWGNU-MMUYJNCRSA-N 490.516 2.344 30 10 JEEE CCCC[C@@H](NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1)C(=O)N1CCC(C(N)=O)CC1 1868794253 ALMHWCSLOBUITR-UXHICEINSA-N 473.643 2.424 30 10 JEEE CN(C)CCCNC(=O)[C@H](CSCc1ccccc1)N=C1NS(=O)(=O)c2ccccc21 1869931885 KXFOHAWADNSAQZ-IBGZPJMESA-N 460.625 2.095 30 10 JEEE CC(C)[C@H](C(=O)Nc1c(C#N)nnn1-c1ccc(N(C)C)cc1)N1C(=O)c2ccccc2C1=O 1870143557 QXNNSFJVMRRVBS-HXUWFJFHSA-N 457.494 2.464 30 10 JEEE C#CCOc1cn(CCCN2CCOCC2)c(CN2CCN(c3ccccc3F)CC2)cc1=O 1870560269 OLBONIIRHNTCAG-UHFFFAOYSA-N 468.573 2.044 30 10 JEEE Cc1ccc(-c2ccc(=O)n([C@@H](C)C(=O)N3CCC(OCC#CCN4CCN(C)CC4)CC3)n2)cc1 1889636488 UNZSLAMQYPVYSF-QHCPKHFHSA-N 491.636 2.038 30 10 JEEE Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCC[C@@H](Oc4nccnc4C#N)C3)C2)cc1 1891998552 WNUCZXWZQRAIRL-RTBURBONSA-N 469.567 2.127 30 10 JEEE CC(C)(C)OC(=O)N[C@]1(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)C[C@H](O)C1(C)C 2073260008 XFQSOXYTAXKPEO-GTQRCTGISA-N 452.552 2.012 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H]1CCN(C(=O)OCc2ccccc2)C1 2247856802 OERUWGSENADHPY-IBGZPJMESA-N 453.348 2.465 30 10 JEEE CC(C)(C)OC(=O)NCC=CCNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2247953935 XLXRUWBANYVWOF-UHFFFAOYSA-N 458.411 2.407 30 10 JEEE C=C(CS(=O)(=O)N=[S@](C)(=O)CC1CN(C(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2255954672 CDTQNMYDYCSOFY-SSEXGKCCSA-N 478.442 2.469 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@@H](OC(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2256679954 PCNCZODCVCVKEC-GFCCVEGCSA-N 454.358 2.207 30 10 JEEE CC(C)(C)OC(=O)NC(CF)(CF)C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2263504968 BDVOXFGKFQRYTP-UHFFFAOYSA-N 461.340 2.261 30 10 JEEE C[C@H](CCN(C)C(=O)OC(C)(C)C)N(C)C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2267006513 OECYYQBZJKNHQW-OAHLLOKOSA-N 450.389 2.437 30 10 JEEE COc1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCCNC(=O)OC(C)(C)C)cc1OC 2267149476 NKDCIAYTBSONIN-UHFFFAOYSA-N 450.341 2.258 30 10 JEEE C[C@H]1CC[C@@H](NC(=O)C(F)(F)F)CN1S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2267464200 GLKCFMNNFWTBLK-NWDGAFQWSA-N 482.355 2.267 30 10 JEEE C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1F 2268643883 MFTKQPQNXMETTE-BDJLRTHQSA-N 456.295 2.477 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)CC[C@H]1C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)s1 2268784953 ITDQBCSCOWYNPJ-HOCLYGCPSA-N 466.409 2.424 30 10 JEEE Cc1cc(C(=O)N(CCNC(=O)OC(C)(C)C)C[C@H](C)O)oc1B1OC(C)(C)C(C)(C)O1 2269896235 VRQWXHXJAZOGJX-HNNXBMFYSA-N 452.357 2.235 30 10 JEEE CC[C@@H]1CN(C(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)CC[C@@H]1NC(=O)OC(C)(C)C 2281821832 GSUZHLVBMLDOMD-WBVHZDCISA-N 462.400 2.485 30 10 JEEE CC(C)(C)OC(=O)N1CC(N(C(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)[C@H]2CCOC2)C1 2281825998 XVNKRIPJTLXGSP-INIZCTEOSA-N 462.352 2.429 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)C2CC(B3OC(C)(C)C(C)(C)O3)C2)[C@@H]2CS(=O)(=O)C[C@@H]21 2281928005 IAFQZFULIWJURN-BACDZXNISA-N 484.424 2.104 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1C[C@H](F)CN(C(=O)OC(C)(C)C)C1 2282003298 ZWRUBEINGYZPHP-LSDHHAIUSA-N 466.363 2.105 30 10 JEEE Cc1cnc(C(=O)N2CC[C@@H](NC(=O)C(F)(F)F)C[C@@H]2C)c(B2OC(C)(C)C(C)(C)O2)c1 2282067799 UIPOZXRISNYYND-UONOGXRCSA-N 455.286 2.361 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N(C)CCOCCNC(=O)OC(C)(C)C 2282131972 LLOLFWFMLSQBJK-UHFFFAOYSA-N 465.400 2.421 30 10 JEEE CC(C)(C)OC(=O)NC1CCN(CCNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)CC1 2282203170 MCSWXZSEHDNNAV-UHFFFAOYSA-N 463.384 2.298 30 10 JEEE Cc1cc(S(=O)(=O)N2CC[C@H](NC(=O)C(F)(F)F)[C@@H](C)C2)sc1B1OC(C)(C)C(C)(C)O1 2282327327 GJFGIQSNBUBMND-STQMWFEESA-N 496.382 2.433 30 10 JEEE Cc1c(C(=O)N2C[C@@H]3CN(Cc4ccccc4)C[C@H]3C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282553135 VFGJKCOYCSAUJX-PMACEKPBSA-N 450.392 2.232 30 10 JEEE Cn1cc(C(=O)N2C[C@H]3C[C@@H](NC(=O)OC(C)(C)C)C[C@H]2C3)c(B2OC(C)(C)C(C)(C)O2)n1 2282578618 UKVRQHLABPYJGL-ARFHVFGLSA-N 460.384 2.237 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCO[C@H]1C(=O)NCCc1ccccc1B1OC(C)(C)C(C)(C)O1 2283978686 FOKJBRFYHNAZNJ-RBUKOAKNSA-N 460.380 2.327 30 10 JEEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)C(=O)[C@H](NC(=O)OC(C)(C)C)C1COC1 2283985156 FYNKTDHKSVGJPU-LJQANCHMSA-N 460.380 2.484 30 10 JEEE CC(C)(C)OC(=O)N[C@@]1(C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)C[C@H](O)C1(C)C 2284056886 QESGKBVPPLVXFM-RCDICMHDSA-N 481.424 2.113 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N1CCc2cc(B3OC(C)(C)C(C)(C)O3)ccc2C1 2284065551 IUZMRIYRGIROAF-LJQANCHMSA-N 460.380 2.146 30 10 JEEE CCOc1ccc(C(O)=C2C(=O)C(=O)N(CCOCCO)[C@H]2c2ccc(C(=O)OC)cc2)cc1 2296265545 LSCPMHWBSIKVMS-NRFANRHFSA-N 469.490 2.303 30 10 JEEE Cn1ccnc1C(=O)N1C[C@@H](C2CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)[C@@H](C(N)=O)C1 2297650729 RODITYLEXOPKSU-ROUUACIJSA-N 474.487 2.401 30 10 JEEE CC(=O)NCc1nnc(SCC(=O)Nc2nccs2)n1N=Cc1cc(Cl)ccc1O 2330748400 KLJPHYMOYPGCNB-UHFFFAOYSA-N 465.948 2.343 30 10 JEEE COC(=O)c1ccc(C=Nn2c(CNC(C)=O)nnc2SCC(=O)NC2CCCCC2)cc1 2330769977 MPXGEAGFOJPXIB-UHFFFAOYSA-N 472.571 2.124 30 10 JEEE C[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2362353777 MXNOKPDIKUETQQ-HZPDHXFCSA-N 462.400 2.485 30 10 JEEE COc1ccc(NC(=O)[C@H](CN(C)C)NC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2365286429 KDIYXKBKHGKGSL-KRWDZBQOSA-N 463.384 2.388 30 10 JEEE COc1ccc(/C(C)=N/Nc2nc(SCC(=O)Nc3ccc4c(c3)C(=O)NC4=O)n[nH]2)cc1 21083381 WSXXIFMIOZRXCS-OPEKNORGSA-N 465.495 2.264 30 10 JEEE COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cc(OC)ccc2OC)cc1 102502875 GLVZAEUAAWXBJW-UGUGFTGJSA-N 482.533 2.466 30 10 JEEE COc1ccc([C@@H]2/C(=C(/O)c3ccncc3)C(=O)C(=O)N2CCCN2CCOCC2)cc1OC 103106782 CYXBAYSAXVEZMW-RKKARLDVSA-N 467.522 2.243 30 10 JEEE Cc1c(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccnc2)cnn1-c1ccccc1 103228900 IHZLDOXLZVOAPR-UGUGFTGJSA-N 473.533 2.330 30 10 JEEE C=CCNC(=O)CN1CCN(C(=O)c2cc(OC)c(OCc3ccccc3)c(OC)c2)CC1 512718305 LOZMKONOCWITTP-UHFFFAOYSA-N 453.539 2.343 30 10 JEEE N#Cc1ccnc(N2CCN(C(=O)Nc3ccc(S(=O)(=O)C[C@H]4CCCO4)cc3)CC2)c1 609436116 GQIPDGBEROWLIB-LJQANCHMSA-N 455.540 2.260 30 10 JEEE COc1cccc(C=NNc2nc(SCCC(=O)Nc3ccc(S(N)(=O)=O)cc3)n[nH]2)c1 1083906222 FFMSRMVNHKOWAU-UHFFFAOYSA-N 475.556 2.028 30 10 JEEE CC(C)n1cc(C=NNc2nnc(SCCC(=O)Nc3ccc4c(c3)OCO4)n2N)cn1 1084086408 RTTBYPYDFVUKDX-UHFFFAOYSA-N 457.520 2.065 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)NC[C@H]3CCC4(CN(C(=O)OC(C)(C)C)C4)O3)cc2C1=O 1131389560 IAVVNCOFFHQMSN-MRXNPFEDSA-N 455.511 2.367 30 10 JEEE C=CCCC[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1)C(=O)OC 1155474602 HEZKPIKGCKYUQV-YJBOKZPZSA-N 453.517 2.010 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cnccn2)n1C[C@@H]1C[C@@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1286284241 ABXHRSIBEGQHKW-MJQMVNBJSA-N 453.547 2.217 30 10 JEEE C#CCCCn1c(N2CCC(C(N)=O)(c3ccccc3)CC2)nnc1[C@@]1(OCC)CCOC1 1286360302 SDSREVQLFDMDAB-RUZDIDTESA-N 451.571 2.367 30 10 JEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(S(C)(=O)=O)CCCC1 1286377509 YNUBEPBNZWCMCK-KRWDZBQOSA-N 481.619 2.013 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1ccc(COC)cc1)[C@@H]1CCS(=O)(=O)C1 1286388147 YQZMHRMUMSWGFZ-HXUWFJFHSA-N 451.552 2.162 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CCc1nccs1)[C@@H]1CCS(=O)(=O)C1 1286397991 VTNOGNGPANSFGW-QGZVFWFLSA-N 475.571 2.322 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1286539532 ZINRKWGWDIMXKJ-JMERFSKESA-N 467.368 2.241 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1286552967 SYRWPINQLYFZCD-RXVVDRJESA-N 475.615 2.453 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2c(CC)nn(C)c2Cl)CC1 1286627497 GVVXYZUVDMPUCT-INIZCTEOSA-N 467.405 2.253 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[C@H](NC(=O)CCC)C1 1286786983 NTQQRCMKJPVTEF-FQEVSTJZSA-N 476.585 2.318 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCCN(c2nc(C)ns2)CC1 1286792663 DWOXQWFQNWHHEJ-UHFFFAOYSA-N 486.577 2.175 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@H](C)N1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1300499074 PDMYZMOVHGEURY-UNMCSNQZSA-N 470.643 2.011 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1CC(O)(CC)CC)[C@@H]1CCS(=O)(=O)C1 1300499415 RHGJQFXUSKDBAB-LJQANCHMSA-N 460.600 2.055 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccn2C)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1300664116 MVFRQJKVKKATLG-GOSISDBHSA-N 454.497 2.023 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC(C)(C)COC)CC1 1300700077 LKRQNYMUFPDKKA-LJQANCHMSA-N 476.622 2.014 30 10 JEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](c2ccc(F)cc2)N(C)C)CC1 1300706647 QOTOJQDGNFTFRG-HSZRJFAPSA-N 464.593 2.337 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3CC)n2CC2([S@@](C)=O)CCC2)CC1 1300709934 LTBIXOIXNPBJDB-JGCGQSQUSA-N 455.628 2.476 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](COC)C1 1300893398 YPNJOGRNOGXPKV-ZWOKBUDYSA-N 461.588 2.102 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1301481751 OUGSBDLENCYZIO-GOSISDBHSA-N 490.543 2.453 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)C[C@H]1CCCO[C@H]1c1ccccc1 1301499107 XKRPSJZUANVSLL-DXIQSLLYSA-N 452.559 2.136 30 10 JEEE CCC(CC)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1)N(C)C 1305702546 BYADISAAPDTIER-NHCUHLMSSA-N 453.591 2.134 30 10 JEEE CNC(=O)C(C)(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@](C)(C#N)C1 1314933665 GMCCKIXYDULLRE-HSZRJFAPSA-N 487.630 2.098 30 10 JEEE CO[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(C(=O)N(C)C)CCCC2)C[C@H]1OC 1316328928 BLPHPAYBFAJDQX-BGYRXZFFSA-N 452.559 2.315 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCN(CCC)C1 1358877082 WXFXKLJXHKINLQ-MOPGFXCFSA-N 458.632 2.385 30 10 JEEE C#CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1CC1(O)CCS(=O)(=O)CC1 1358943186 YYXXHZLZANOJSX-UHFFFAOYSA-N 467.389 2.025 30 10 JEEE C#CCN(c1nnc(CC)n1C[C@@H](c1ccccc1Cl)N(C)C)[C@H]1CCS(=O)(=O)C1 1358964189 VDWXDOZUHUAMDD-LPHOPBHVSA-N 450.008 2.424 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CCC[C@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1358964695 FENZBYJFDHLLFV-NHCUHLMSSA-N 457.600 2.240 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@@H](C)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1358965557 XFJCCDJKYRYTGR-UYAOXDASSA-N 461.607 2.365 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2C[C@](C)(O)CC)CC1 1359043646 CEAWSWXVSRLNBJ-RUZDIDTESA-N 461.570 2.258 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3COc4ccccc4O3)n2C[C@H](C)COC)CC1 1359045843 VQRGPUPQPHUIED-LAUBAEHRSA-N 453.543 2.039 30 10 JEEE CC(=O)NC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@H]2CCCCO2)CCO1 1359452162 HJIBYJPAWGOIAI-IRLDBZIGSA-N 468.558 2.029 30 10 JEEE CC(C)C(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2COCCO2)C1 1359627200 DXSSWXLIKOUOBH-CTNGQTDRSA-N 452.559 2.221 30 10 JEEE C[C@H](CC(=O)NC(C)(C)c1cn(-c2ccccc2)nn1)/N=C1/NS(=O)(=O)c2ccccc21 1445608663 AZBJMSZMXILUSG-OAHLLOKOSA-N 452.540 2.136 30 10 JEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCOC1CCOCC1 1507605634 WUVHEHLMUMCXDL-UHFFFAOYSA-N 460.604 2.202 30 10 JEEE C#CCN(c1nnc(Cc2c[nH]c3ccccc23)n1CC(C)(C)OC)[C@@H]1CCS(=O)(=O)C1 1507633419 DMYVPXVZCLCCCM-GOSISDBHSA-N 455.584 2.402 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC[C@@](C)(O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1507634132 WWFJLEWQXOQKAF-NHCICSSKSA-N 472.611 2.097 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2C[C@H](C)CNC(=O)OC(C)(C)C)CC1 1507724087 GJHNTYBCGIOZSE-LJQANCHMSA-N 453.591 2.180 30 10 JEEE C=CC1CCN(c2nnc(-c3nn(CCC)c(=O)c4ccccc34)n2CCNS(=O)(=O)CC)CC1 1507906787 LTSLDDWTNRBRRZ-UHFFFAOYSA-N 499.641 2.407 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2C)ccc1F 1528373480 OOUMZDPFIZUOEA-UHFFFAOYSA-N 455.533 2.101 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3csc(C)n3)n2CCS(=O)(=O)CC)c1 1539046029 KZZLCOAFHHRTQE-UHFFFAOYSA-N 486.623 2.125 30 10 JEEE C#CCCCn1c(-c2ccc(Br)s2)nnc1N1CCN(C(=O)COC)CC1 1539101566 BJYVXHCPWCWRRI-UHFFFAOYSA-N 452.378 2.478 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1cccc2c1OCCCO2)[C@H]1CCS(=O)(=O)C1 1539203295 PBMRVOZOAONATR-SFHVURJKSA-N 458.584 2.412 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1cccc(C(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 1539222294 VCROMMCFXOXGGA-WMZOPIPTSA-N 468.501 2.476 30 10 JEEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1C[C@H](C1CC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1539230147 KRJCUCFSJBZHCG-PZJWPPBQSA-N 492.045 2.477 30 10 JEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1(C(=O)N(C)C)CCCC1 1539237240 BAZYBXKGVKSZIT-UHFFFAOYSA-N 495.653 2.268 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(=O)NC(C)C 1539323311 FADWRTDUVOLIAH-LJQANCHMSA-N 456.591 2.380 30 10 JEEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1539521093 XWGFVQVBLIEQNO-IBGZPJMESA-N 472.615 2.360 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc(CN2CCCC2=O)n1CC1CCS(=O)(=O)CC1 1540134420 XLIBCIIALNDJKK-UHFFFAOYSA-N 457.600 2.418 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CCCC1 1540179866 BQTDOHZWYOYOEW-OAQYLSRUSA-N 489.642 2.151 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(CC(F)F)CC1 1540866032 AMVBVRPMDNDSDX-UHFFFAOYSA-N 454.909 2.296 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1540875451 MHIPOJVXXCJJEB-UHFFFAOYSA-N 499.641 2.171 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1540905836 WNPSBPQXVMMVBU-OAQYLSRUSA-N 479.990 2.154 30 10 JEEE CN(C)C(=O)[C@@H]1CC2(CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)CN1S(=O)(=O)N(C)C 1548379307 ACWHJAGXZLMARD-SFHVURJKSA-N 487.548 2.133 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H](N1CCOCC1)C(F)(F)F 1587602979 FJLQXBPBMKYRDM-HNAYVOBHSA-N 465.476 2.437 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)Nc3ccccn3)n2CCN2CCCC2)c1 1587683188 DLRQZIPZYZPWBO-UHFFFAOYSA-N 472.553 2.077 30 10 JEEE C#CCCCn1c(CC(C)C)nnc1N1C[C@@H]2[C@H](C1)[C@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1587862588 WWVIFBZGPLKKBO-KZNAEPCWSA-N 465.620 2.017 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC[C@@](C)(O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1588050806 VFPPWKXTCILNRZ-AUSIDOKSSA-N 453.568 2.198 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H](c1cccs1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1588065400 YEIUDVIPBCUBSL-UXHICEINSA-N 484.651 2.255 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CC(F)(F)CO1 1588138297 BZJKSQGSJWCZIR-IAGOWNOFSA-N 465.501 2.084 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@H]1CC(=O)N(CCOC)C1 1589171524 IPJMOLWBNSWERH-HFJWLAOPSA-N 497.596 2.458 30 10 JEEE C[C@@H]1C[C@H](CCn2c(-c3cccc(C#N)c3)nnc2N(C)CC(=O)N2CCOCC2)CCO1 1612679720 FRGSWDRWWMEKHW-RTBURBONSA-N 452.559 2.317 30 10 JEEE COc1ccccc1Cc1nnc(N2CCC(CC#N)CC2)n1CCC(=O)N1CCOCC1 1619415485 FRNHYOHGBWWBRT-UHFFFAOYSA-N 452.559 2.256 30 10 JEEE C=CC[C@H](CO)CNC(=O)c1cc(Br)cn(CCNC(=O)OC(C)(C)C)c1=O 1631912613 HZOMZCKMJDSECI-ZDUSSCGKSA-N 458.353 2.050 30 10 JEEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CC(O)(c3ccc(Br)cc3)C2)c1 1633073814 QHFYLSQYQFZSPF-UHFFFAOYSA-N 451.342 2.257 30 10 JEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCCN([C@@H](C)c3ccccc3F)C2=O)c1 1636223495 DPCJZCWPIGIASK-KKSFZXQISA-N 457.527 2.219 30 10 JEEE C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)N1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 1654335839 ADWVQUYVSXHBMW-GHTZIAJQSA-N 453.978 2.050 30 10 JEEE C#CCC1(NS(=O)(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cc2)CCOCC1 1657027474 ZKOIBOMYCSOWCG-ROUUACIJSA-N 454.614 2.204 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ccc(Cl)cc1OC)[C@@H]1CCS(=O)(=O)C1 1689988434 OZKHAMSRZBCTCN-QGZVFWFLSA-N 472.958 2.072 30 10 JEEE C#CCN(CC#C)c1nnc(CCc2ccccc2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1690023671 BTVRCSPEKZRGNC-PKTZIBPZSA-N 465.623 2.340 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccccc1-n1cccn1 1690092255 BEUYYYVBIHUMGS-UHFFFAOYSA-N 456.510 2.245 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc4ccccc4o3)n2CCCN(CC)S(C)(=O)=O)CC1 1690114887 KETWQLYLDBVJHV-UHFFFAOYSA-N 470.599 2.118 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(F)cc2F)CC1 1690137411 YCVYQZQJZWMJKL-UHFFFAOYSA-N 479.491 2.218 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccccn1 1690565684 PUCCMJWNNYZJDC-JOCHJYFZSA-N 482.610 2.441 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(Cl)c(OC)c2)C1 1690685884 FMCANBZJLWOSEF-ZBFHGGJFSA-N 469.995 2.380 30 10 JEEE CC(C)N1CCC(O)(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC[C@](C)(C#N)C2)CC1 1692484286 BUBMAUNXMKHMGL-HSZRJFAPSA-N 466.590 2.291 30 10 JEEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(-c2ccccc2Cl)n1CCC(=O)N(C)C 1693745628 GUANBVDJCMDCFR-INIZCTEOSA-N 479.976 2.454 30 10 JEEE C#CCCCCn1c(N2CCN([C@H](C)C(=O)N3CCCC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1705522104 VRHOIDPLZZSQDI-GJZUVCINSA-N 486.661 2.255 30 10 JEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 1705532717 QIDUHGFFMCOSGU-QUCCMNQESA-N 461.632 2.069 30 10 JEEE C#CCN(c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCC1CC1)[C@H]1CCS(=O)(=O)C1 1705566510 NVUFYHGOHIFSGC-RBUKOAKNSA-N 493.630 2.013 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CCc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1705569597 INBVPAXNUXSRIE-HXUWFJFHSA-N 453.543 2.272 30 10 JEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1Cc1ccnc(OCC(F)(F)F)c1 1705627167 XLKCMWHQAGJBFG-UHFFFAOYSA-N 492.458 2.476 30 10 JEEE C#CCN(CCOC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC(F)(F)F 1705630443 UBBSALUVEFVCIY-UHFFFAOYSA-N 450.509 2.291 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2Cc2ccc(C)cc2N2CCOCC2)n1 1705632206 XZYSFXODAIIDFM-UHFFFAOYSA-N 463.586 2.263 30 10 JEEE C#CCN1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@@H](C2CC2)N(C)C)CC1 1705639063 FINPMGSKADVOPC-QFIPXVFZSA-N 485.677 2.488 30 10 JEEE C#CCN1CCN(c2nnc(COCC)n2C[C@@H](c2ccc(OC)cc2)N2CCCC2)CC1 1705642714 FKSZJTKTLWNEQG-QHCPKHFHSA-N 452.603 2.416 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](c2ccc(CC)cc2)N(C)C)CC1 1705648049 PSTDLSBODUJAMY-DHIUTWEWSA-N 491.640 2.060 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CC[C@@H](C)N2CCCCC2)CC1 1705648784 YSPOOSLUYBAXMX-IRLDBZIGSA-N 456.635 2.402 30 10 JEEE C#CCSCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1705654037 WFBNKIMTSJHHFB-INIZCTEOSA-N 481.619 2.442 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C2CCCC2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1705699543 IKVOLLYMYPAPMI-WOJBJXKFSA-N 458.607 2.090 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC2CC2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1705705250 FOMRJQXJUXCAGP-RXVVDRJESA-N 451.637 2.462 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(=C)C 1705856718 CFDNXQVAPOLVFD-HXUWFJFHSA-N 461.588 2.388 30 10 JEEE C=CCN(CC=C)c1nnc(C(=O)Nc2ccccn2)n1CC(=O)N1CCN(c2ccccc2)CC1 1705869082 LHSAWLFTFVFUGX-UHFFFAOYSA-N 486.580 2.453 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 1705922382 LUWRXIPJNUEPDN-RCCFBDPRSA-N 460.579 2.410 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1705937343 QRCAWNVCWIPYOF-SVMVAKDDSA-N 452.621 2.384 30 10 JEEE CCO[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2Cc2ccc(OCCN(C)C)cc2)CCOC1 1710456453 BFYFNUZRSYRCMY-DNQXCXABSA-N 472.565 2.361 30 10 JEEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCN(C(C)=O)CC1 1722332081 CLEMRTCFUJTABM-LJQANCHMSA-N 460.579 2.059 30 10 JEEE C#CCN(c1nnc(C(C)C)n1Cc1ccc(OCC(F)(F)F)nc1)[C@H]1CCS(=O)(=O)C1 1722358958 NYMUHOWCBQWJTN-INIZCTEOSA-N 471.505 2.413 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H](c1cccc(OC)c1)N(C)C)[C@H]1CCS(=O)(=O)C1 1722362112 SESVEPGLQLXCAT-UGKGYDQZSA-N 482.610 2.211 30 10 JEEE C#CCN(c1nnc(CN2CCCC2=O)n1CCCCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1722370967 GFEBGVCKSSIUDC-OAQYLSRUSA-N 469.611 2.050 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2ccccc2F)n1CC1(NC(=O)OC(C)(C)C)COC1 1722383213 JNQPPWAJSKXFGJ-UHFFFAOYSA-N 453.518 2.375 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2Cc2ccc(OC)nc2OC)CC1 1722448603 WAVRZQZPUVNNPF-UHFFFAOYSA-N 452.559 2.362 30 10 JEEE C=C(Br)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCNC(=O)[C@H]1CC 1722482630 CDUVXUNQRMQPTB-CQSZACIVSA-N 458.320 2.217 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1722688897 OBPHKKSPCHWURO-UKPHBRMFSA-N 463.380 2.210 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1722692129 DYXPNFZAYKXEBP-SFHVURJKSA-N 462.558 2.177 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN(c2ccccc2OC)CC1 1722725652 QKQKDAJQTXBWMC-UHFFFAOYSA-N 470.599 2.220 30 10 JEEE COCCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1CCc1nc(C(F)(F)F)cs1 1730762563 GWWGPYOXOVXTJP-LBPRGKRZSA-N 457.482 2.314 30 10 JEEE C#CCN(c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCCC)[C@H]1CCS(=O)(=O)C1 1740618439 HNNYEMXELLZXOM-SFHVURJKSA-N 492.671 2.364 30 10 JEEE C#CCN(c1nnc(-c2nnc(O)c3ccccc23)n1CC(C)(C)SC)[C@@H]1CCS(=O)(=O)C1 1740623122 OTNNYLLCKCBLQD-OAHLLOKOSA-N 486.623 2.362 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(F)cc1C(F)(F)F 1740632183 YCZSFSYFTJJCAP-CYBMUJFWSA-N 457.453 2.167 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H](C)N(C)c2ccccc2)CC1 1740693463 ZALUIYVQCSKNLC-OFVILXPXSA-N 452.603 2.210 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCc2ccc(OC)c(OC)c2)CC1 1740709886 NJWMEJRPKLTWNB-OAQYLSRUSA-N 467.570 2.355 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCOc2cc(C)cc(C)c2)CC1 1740825006 HLCOBFCXNQGEAW-NRFANRHFSA-N 475.615 2.463 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1 1740851342 TWODYQILHAGWJG-SFHVURJKSA-N 450.609 2.343 30 10 JEEE C=CCCCCn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1740858989 DIBAIQVTOQQBTL-UHFFFAOYSA-N 454.575 2.483 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)Cc2ccccc2C)CC1 1740959492 XJRLPLSUMSQWPA-UHFFFAOYSA-N 473.581 2.150 30 10 JEEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1740961081 LDAYUQRSPOYTGE-FQEVSTJZSA-N 471.512 2.244 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1740987349 FKLZQWKFUVRHDW-LEWJYISDSA-N 460.600 2.493 30 10 JEEE CC(=O)NC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(C)CCCS2)CCO1 1741110833 HBHZCIOLMBEDJA-NFBKMPQASA-N 470.599 2.356 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H](C)c1ccccc1 1741130909 CKQJUAWMENCYGG-GGPKGHCWSA-N 460.604 2.401 30 10 JEEE CC[C@H](C)[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1743479623 IFZZLUITLCQEJM-DFBJGRDBSA-N 467.618 2.260 30 10 JEEE CCN(CCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](N2CCCC2=O)C1)S(C)(=O)=O 1746309016 CYPQXFDGSVJIDI-OAQYLSRUSA-N 499.641 2.080 30 10 JEEE CCOc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H]2CC(=O)N(CCOC)C2)cc1OC 1746788639 FRJKERYGDRJCID-XDHUDOTRSA-N 486.548 2.289 30 10 JEEE CNC(=O)C(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(C(=O)C(C)C)CC1 1748093112 GGUNLMCMWFFNQC-UHFFFAOYSA-N 481.601 2.196 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCOc1ncccc1F)[C@@H]1CCS(=O)(=O)C1 1748809616 OUCRNXWLPPFQGR-MRXNPFEDSA-N 490.948 2.233 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@H](C)N1CCOCC1 1748922711 JDDNWYIURXMEKH-LJQANCHMSA-N 463.586 2.245 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1748944899 IPNWVFKOZSLMQX-VQTJNVASSA-N 475.590 2.233 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCOC3)n2CC2(O)CCCCC2)n1 1748971606 WTDPFCGKIXQSOK-FQEVSTJZSA-N 456.591 2.350 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1749658921 YKSGUKPVQBZSGG-UHFFFAOYSA-N 493.656 2.334 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1749668629 BFUMACVXLCZCHM-FQEVSTJZSA-N 484.557 2.007 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC(NC(=O)NC2CCCCC2)CC1 1749676477 RRMBIDYREQGMNG-UHFFFAOYSA-N 480.617 2.167 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCSc2ccccc2)C1 1749713184 PPQCIYOKKCEYGW-AZUAARDMSA-N 493.655 2.185 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN2CCCC[C@@H]2C1 1749727201 PVCYVNHJPMVYDQ-GOSISDBHSA-N 475.615 2.238 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCCN(c2ncccc2F)CC1 1749730822 RRKWLHNEOXDPER-UHFFFAOYSA-N 459.551 2.125 30 10 JEEE C[C@H]1CCC[C@]1(O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)[C@H](C)CC#N 1751091349 HIHVUUVFLKSGHU-JKSBSHDWSA-N 460.604 2.485 30 10 JEEE C#CCCCCn1c(-c2cc(Br)cn2C)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1760130146 FCOQXLYUGHNWRM-HNNXBMFYSA-N 454.394 2.473 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1Cc1ccc2c(n1)CCCC2)[C@@H]1CCS(=O)(=O)C1 1760181757 BCMRNOVOWPJZOO-OAQYLSRUSA-N 498.653 2.145 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1760214876 FMCDEQZSESRDKP-GOSISDBHSA-N 483.502 2.268 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1Cc1cc(C)nc(N2CCCC2)c1 1760242501 FSBWJOUKKBDOGP-UHFFFAOYSA-N 474.569 2.363 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2CC(C)(C)C(=O)NCC)CC1 1760267193 INTASRHYBISIDS-UHFFFAOYSA-N 466.586 2.082 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC2([S@@](C)=O)CCC2)CC1 1760267269 XTAWSVOPWVSPSO-PGUFJCEWSA-N 499.637 2.229 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3noc4c3COCC4)n2CCN(C(C)C)C(C)C)CC1 1760268640 NNTQGEJOYBPLSG-UHFFFAOYSA-N 483.617 2.090 30 10 JEEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CC1CN(C(=O)OCc2ccccc2)C1 1760346125 JAUDRQQOOZQHNR-HXUWFJFHSA-N 473.599 2.461 30 10 JEEE C=CCCCCn1c(N2CCC([C@@H]3NC(=O)N(C)C3=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1760430519 LZZSGXULFFYIKN-CYFREDJKSA-N 474.606 2.442 30 10 JEEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1Cc2ccccc2[C@H]1C 1760449978 APIXMLNWQNYLLK-YLJYHZDGSA-N 461.588 2.285 30 10 JEEE C=CCn1c(-c2cc(OC)ccc2Br)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1760507379 CFXSGVTZJYGIAC-CYBMUJFWSA-N 487.362 2.434 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1760514661 DDKSAMGSRZMZGZ-UHFFFAOYSA-N 491.600 2.268 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCC2(CC1)COC(=O)N2 1760518501 WDGPPZYFZXFCHM-UHFFFAOYSA-N 484.557 2.122 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@](F)(C#N)C1 1760555787 NJSPJFKLOFOVOE-VGOFRKELSA-N 496.609 2.435 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1760556195 WULZPFQXYPNBOW-OTWHNJEPSA-N 495.646 2.424 30 10 JEEE COCCN1C[C@H](Cn2c(Cc3ccccn3)nnc2N(C)Cc2cccc(C#N)c2)CC1=O 1769881558 CAPBEFOARLLVDM-OAQYLSRUSA-N 459.554 2.267 30 10 JEEE N#C[C@@H]1CN(c2nnc(COc3ccc(Br)cc3)n2CCN2CCSCC2)CCO1 1770751068 CHHKBQOPBYXDCQ-GOSISDBHSA-N 493.431 2.397 30 10 JEEE CS(=O)(=O)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1771354776 HVPFHGXCRDRFTC-RBUKOAKNSA-N 459.572 2.026 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(C(=O)O)cc2)cc1F 1862639863 IWJKETUTRPOLBS-OAQYLSRUSA-N 484.480 2.443 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)cn1CCCO 1870398639 WLBSRQATKGSKGX-UHFFFAOYSA-N 456.499 2.330 30 10 JEEE C[C@@H](NS(=O)(=O)CCN1C(=O)c2ccccc2C1=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2008405488 OZOJHVPTODFMNL-CQSZACIVSA-N 490.412 2.324 30 10 JEEE CN(C[C@H](O)CN(C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(=O)OC(C)(C)C 2255624110 BZEDBGCBUHUUQV-OAHLLOKOSA-N 454.398 2.347 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCOC[C@H]1NC(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2255709466 WRSKDPYEEFPFQW-LSDHHAIUSA-N 452.382 2.459 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2255749386 SIIZYIFTWWZUSL-ZUOKHONESA-N 470.422 2.335 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@](O)(CNC(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2255808007 CKEMHGXXNJSQKS-OAQYLSRUSA-N 452.382 2.149 30 10 JEEE COCC1(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)CN(C(=O)OC(C)(C)C)C1 2255834237 LTCIVSURKOLXTG-UHFFFAOYSA-N 452.382 2.413 30 10 JEEE CC1(C)OB(c2cnsc2C(=O)N[C@@H]2CCOC[C@H]2NC(=O)OCc2ccccc2)OC1(C)C 2255842979 ZVWKLVMDDJKNPB-QZTJIDSGSA-N 487.387 2.256 30 10 JEEE CC(C)(C)OC(=O)N[C@@]1(C(=O)O)CCN(C(=O)c2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2267172950 FCAFYVQSPVXBBC-NRFANRHFSA-N 466.365 2.241 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](OCCNC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2267486722 MBOMBRQMWDAGDY-CQSZACIVSA-N 467.397 2.198 30 10 JEEE CN(Cc1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(=O)[C@@H]1C[C@H](O)CN1C(=O)OC(C)(C)C 2268652495 UXDLOMLVOLUELY-RDJZCZTQSA-N 466.409 2.376 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C12CCC2 2268707317 UXRQZGLAKQPCAL-QWHCGFSZSA-N 464.397 2.281 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCN(c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C[C@@H]1CO 2269004290 BSGRHKKWVOAYEA-PBHICJAKSA-N 451.348 2.232 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC[C@H](NC(=O)C(F)(F)F)CC1 2270585032 UGPWWAJRSLOXAX-LBPRGKRZSA-N 461.315 2.424 30 10 JEEE CC(C)(C)OC(=O)NC1CC(C[S@@](C)(=O)=NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2281926308 MANYZIPKOMCHNR-TUICBCIOSA-N 482.412 2.250 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C1CC1 2282050710 CSMLXRDAMHKMDN-SJORKVTESA-N 460.384 2.237 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@H](CNC(=O)c2ccc(F)c(B3OC(C)(C)C(C)(C)O3)c2)C1 2282474659 DAFJKIGRRQVEDN-MRXNPFEDSA-N 464.343 2.491 30 10 JEEE CC1(C)OB(c2cnc(C(=O)NC[C@@H]3CN(C(=O)OCc4ccccc4)CCO3)c(F)c2)OC1(C)C 2282534496 GKMGIHWVDAPNNS-LJQANCHMSA-N 499.348 2.287 30 10 JEEE Cn1ncc(C(=O)N[C@@H]2CC[C@H]3CC[C@H]2N3C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2282540663 MXSVHTNTGPBALL-USXIJHARSA-N 460.384 2.380 30 10 JEEE Cc1ccnc(C(=O)NC[C@@H]2COCCN2C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2282575061 XVFVACHLKQBBNC-MRXNPFEDSA-N 461.368 2.055 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C[C@H]1C(F)(F)F 2282595773 YNHJKYGJNZELNO-ZDUSSCGKSA-N 474.289 2.333 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)[C@](C)(CO)C1 2282648962 UWDADKHAELETRJ-DEOSSOPVSA-N 460.380 2.430 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N(C)C[C@@H](O)COCc1ccccc1 2282828678 SRFRJPGPIARAQH-OAQYLSRUSA-N 475.416 2.492 30 10 JEEE CC(C)(C)OC(=O)N1CC2(CCCN2S(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2282833150 FZOAQLONHSADIU-UHFFFAOYSA-N 499.464 2.357 30 10 JEEE C[C@@H](c1cscc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)CNC(=O)CNC(=O)OC(C)(C)C 2283952199 FXXSLCSCZPPOMN-AWEZNQCLSA-N 481.424 2.208 30 10 JEEE CN(Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)CN1CC(NC(=O)OC(C)(C)C)C1 2284058959 QDZSHDLQFYAENS-UHFFFAOYSA-N 459.396 2.153 30 10 JEEE CC1(C)OB(c2cc(F)ccc2S(=O)(=O)N[C@H](COCc2ccccc2)C(=O)O)OC1(C)C 2284405212 HYINVDYYJDIDFL-GOSISDBHSA-N 479.335 2.073 30 10 JEEE CC(C)(C)OC(=O)N1CC(OCCNC(=O)c2csc(B3OC(C)(C)C(C)(C)O3)c2)C1 2315566218 RLZRFXRWMZLGLM-UHFFFAOYSA-N 452.382 2.413 30 10 JEEE CC(C)(C)OC(=O)N1CC(Oc2ncc(Cl)cc2B2OC(C)(C)C(C)(C)O2)(C(=O)O)C1 2317253406 LOGCRWXWLMFHIY-UHFFFAOYSA-N 454.716 2.487 30 10 JEEE C=CC1(N[C@@]2(C(=O)O)C[C@H](OC)CN(C(=O)OC(C)(C)C)C2)CN(C(=O)OC(C)(C)C)C1 2325157613 YWQVYIIGSGYPJB-NYHFZMIOSA-N 455.552 2.231 30 10 JEEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(C(=O)O)CCN(C(=O)OC(C)(C)C)CC1 2327117628 CKVWKFLNVUAXOA-HNNXBMFYSA-N 453.536 2.264 30 10 JEEE C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(F)c(F)cc1B1OC(C)(C)C(C)(C)O1 2351777538 ASXDUANAIXJIAD-BZNIZROVSA-N 456.295 2.477 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C12CCC2 2362346701 VSUWHPCQFLCAPG-OAHLLOKOSA-N 460.384 2.381 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2362358244 XWJMGKBAZHRMNS-HOTGVXAUSA-N 460.384 2.191 30 10 JEEE C=CCN(Cc1cnc(S(=O)(=O)Cc2cccc(OC)c2)n1CCOC)C(=O)NCC 36031577 YEPMLTDKTNNGLW-UHFFFAOYSA-N 450.561 2.230 30 10 JEEE C#CCOC[C@H](O)CN(CCOC)CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(F)c1 36309572 XSAWIFCLLBFUCS-OFNKIYASSA-N 490.597 2.351 30 10 JEEE CCC(=O)N(C)CCc1cc2c(c(OC)c1C=NNS(=O)(=O)c1ccc(C)cc1)OCO2 254792627 UWLLRMHBTAEACJ-UHFFFAOYSA-N 461.540 2.456 30 10 JEEE CNS(=O)(=O)c1ccccc1N1CCN(CCC(=O)Nc2sc3c(c2C#N)CCC3)CC1 551064755 HPJKUTVAKMXREO-UHFFFAOYSA-N 473.624 2.167 30 10 JEEE C#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)[C@@H]1COC[C@@H]1C(=O)O 757270536 RMLXUOQYZWJBNF-RJGXRXQPSA-N 462.502 2.475 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)OCc3nnc4n(CC)c(=O)c5ccccc5n34)cc2C1=O 800717705 ZIBWEVWRXVPKGP-UHFFFAOYSA-N 457.446 2.203 30 10 JEEE CCOc1ccc(C=NNc2nnc(SCC(=O)Nc3ccc4c(c3)OCCO4)n2N)cc1 1084012777 GMTJYPZTZGEFAU-UHFFFAOYSA-N 469.527 2.339 30 10 JEEE Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 1135918796 HWOMGIWXIAYBHY-QGZVFWFLSA-N 451.552 2.403 30 10 JEEE C#CC[C@]1(C(=O)N2CCC[C@H](CNS(=O)(=O)C3CC3)C2)CCCN1C(=O)OC(C)(C)C 1160727880 BKXFWJSESCRNQS-VGOFRKELSA-N 453.605 2.100 30 10 JEEE C=CCn1c(SCC(=O)Nc2cc(S(N)(=O)=O)ccc2C)nc2sccc2c1=O 1164611527 QHIIZAVHULHHOA-UHFFFAOYSA-N 450.567 2.331 30 10 JEEE C#C[C@@H](NC(=O)[C@@]12CN(C(=O)OC(C)(C)C)C[C@@H]1CS(=O)(=O)C2)c1ccc(Cl)cc1 1275448017 NJPLYDQIGUGEJC-QLVMHMETSA-N 452.960 2.412 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1CCNS(=O)(=O)c1ccc(C)s1 1286287619 GJUFYCORWKOFMV-CQSZACIVSA-N 473.580 2.480 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1ccc(OCC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1286387693 UEOQURBCPQGUHG-LJQANCHMSA-N 481.578 2.422 30 10 JEEE C#CCN(c1nnc(CCN2CCN(c3ccccc3)CC2)n1C/C=C\CC)[C@H]1CCS(=O)(=O)C1 1286394869 XJHABBYIMLIFBA-LMHGUCDMSA-N 496.681 2.236 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(S(C)(=O)=O)CCC1 1286446753 HMTLNOYPACVKOB-KRWDZBQOSA-N 481.619 2.013 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(F)cc2Br)n1CCNC(=O)C1CC1 1286462971 COTRUZSWVNDFAQ-UHFFFAOYSA-N 464.339 2.459 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@@H]1CC[C@H](CO)O1 1286463876 VNVCTLPPNCXMKB-DLBZAZTESA-N 479.375 2.342 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCn2cncn2)CC1 1286487465 FRHWLQLSZGYBHQ-FQEVSTJZSA-N 476.585 2.292 30 10 JEEE C=CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@@H](CNC(C)=O)C1 1286830288 KSVCAUDFKDWEDE-SFHVURJKSA-N 481.626 2.464 30 10 JEEE C[C@@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCC#N)CC1CC1)c1nccs1 1288651070 DNIKHFYBLZHEEJ-RDJZCZTQSA-N 479.632 2.001 30 10 JEEE CCNC(=O)C1(Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)CCC1 1296259377 ICMIIXGVHSAPLI-DLBZAZTESA-N 472.615 2.381 30 10 JEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CCO)Cc1ccc(Br)s1 1300411478 SLPLAVOPTDNJOX-CQSZACIVSA-N 487.445 2.417 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCc1ccccc1C)[C@H]1CCS(=O)(=O)C1 1300479072 HSTIXJUKGYAOCC-FQEVSTJZSA-N 478.578 2.103 30 10 JEEE C#CCN(c1nnc([C@@H]2COc3ccccc3O2)n1CCN(C)CCCC)[C@H]1CCS(=O)(=O)C1 1300495684 JJIUBFGLXRSMMX-UGKGYDQZSA-N 487.626 2.149 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1CCOc1ncccc1F)[C@@H]1CCS(=O)(=O)C1 1300498163 HYNLMUOXVKRKKI-GOSISDBHSA-N 487.532 2.248 30 10 JEEE C#CCN(c1nnc(CC)n1CCc1ccc(OC)c(OC(F)F)c1)[C@@H]1CCS(=O)(=O)C1 1300499205 QTLQCVUAACVQKD-MRXNPFEDSA-N 468.526 2.320 30 10 JEEE C#CCN(c1nnc(CSc2ccc(C)cc2)n1C[C@]1(O)CCO[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1300504717 QZIIFIPKMYJXRE-YCRNBWNJSA-N 490.651 2.045 30 10 JEEE C#CCN(CCOC)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CSCCS1 1300675707 VHVHNEOWMRCJTM-OAHLLOKOSA-N 451.643 2.204 30 10 JEEE C#CCN1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCSCC(C)C)CC1 1300697439 CGHAQVYBHGSWGU-UHFFFAOYSA-N 465.627 2.336 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2Cc2cnn(CC(C)C)c2C)CC1 1300719444 BHRWHSGVCLLGTF-UHFFFAOYSA-N 462.602 2.459 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@H]2CC=CCO2)CC1 1300730632 DEUCKEMGEAHFOE-JOCHJYFZSA-N 465.554 2.177 30 10 JEEE C#CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(C(=O)COC)CC1 1300745297 IPSQTTARMMSTBD-UHFFFAOYSA-N 463.991 2.269 30 10 JEEE C#CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](C)C1 1300763410 PBSQDZVCXQDMCB-IRXDYDNUSA-N 451.593 2.178 30 10 JEEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 1300766747 JIEZHRNFGUILFL-UHFFFAOYSA-N 475.622 2.391 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](COc2ccccc2)C1 1300952230 OJOWUSVSXFOXCI-UYAOXDASSA-N 461.588 2.092 30 10 JEEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 1301468667 IWHJALYJBKHCAC-RBUKOAKNSA-N 485.658 2.273 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(c2ccc(C(C)=O)cc2F)CC1 1301505882 BVFVGWAZEBPQLV-UHFFFAOYSA-N 477.544 2.234 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cccc(C(=O)N(C)C)c2)C1 1301536346 UQKBDHIGBSKDER-HXUWFJFHSA-N 475.553 2.457 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC2(S(C)(=O)=O)CCCC2)C1 1301565899 LJVBALVUGOQYKW-KRWDZBQOSA-N 493.655 2.408 30 10 JEEE COCCN1C[C@H](Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)C[C@@H](C)C#N)CC1=O 1301859882 FTKSSKVSHRSRKO-UONOGXRCSA-N 464.368 2.126 30 10 JEEE CS(=O)(=O)C1(Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CCO[C@H](C#N)C2)CCC1 1302425356 HUURIKCRMYWDHQ-MRXNPFEDSA-N 467.498 2.243 30 10 JEEE N#Cc1cccc(-c2nnc(N3CCCN(c4ncccc4F)CC3)n2CC(=O)NCC(F)F)c1 1302986595 GSBVUPGHRTZACZ-UHFFFAOYSA-N 484.486 2.449 30 10 JEEE CC(C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1303425156 GMKJJEAUANFOSF-UHFFFAOYSA-N 469.553 2.325 30 10 JEEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCC([C@H]2CCCO2)CC1 1314558019 HQEZJIIUSNVDSR-HXUWFJFHSA-N 458.588 2.151 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1c[nH]c2ccccc12 1358889553 DGJBVQYRLARKMR-UWJYYQICSA-N 470.599 2.183 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1c(CC)nn(C)c1OC 1358890160 LVGVUKHSJBIUJD-QFBILLFUSA-N 487.605 2.397 30 10 JEEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1Cc1cc(C)no1)[C@@H]1CCS(=O)(=O)C1 1358965969 FMSPUAWNOJQNRB-LJQANCHMSA-N 469.567 2.445 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(Br)s2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1358972514 HZGWKCDPWAJCJT-AWEZNQCLSA-N 482.429 2.123 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C1CC1)N(C)C 1359017265 YUNCJBZYGGSAKE-CTNGQTDRSA-N 459.591 2.299 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccccc2OC)nnc1N1CCN(CC(=O)NCC)CC1 1359101697 RCTWYWKQOYZJKH-PXDATVDWSA-N 482.629 2.117 30 10 JEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](N(C)Cc2ccccc2)C1 1359215448 BRGGFJNTTAAVFQ-FGZHOGPDSA-N 488.658 2.288 30 10 JEEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(Nc2cc(OC)cc(OC)c2)CC1 1359283494 VVDZYOSGGBLISP-OAHLLOKOSA-N 464.592 2.172 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC(c2nc3ccccc3[nH]2)CC1 1359326537 CGXYAJSOSDITIM-UHFFFAOYSA-N 485.614 2.277 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCO[C@H](c2cccc(OC)c2)C1 1359330032 DTAJGOBLYBXVKF-NRFANRHFSA-N 471.583 2.471 30 10 JEEE C#CCNC(=O)CN1CCCN(C(=O)C2(c3cc(Cl)cc(Br)c3)CC2)CC1 1443359771 RFIRVYWOLLMWPU-UHFFFAOYSA-N 452.780 2.418 30 10 JEEE C#Cc1cccc(NC(=O)CNS(=O)(=O)c2ccc(C(=O)OC)cc2Br)c1 1462866538 BVTWSXPRIDQOLI-UHFFFAOYSA-N 451.298 2.134 30 10 JEEE N#Cc1cccc(-n2ccc(C(=O)NCc3ccccc3OCC(=O)NC[C@@H]3CCCO3)n2)c1 1464231719 FQTKRVGNJIGKRX-NRFANRHFSA-N 459.506 2.348 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OCC)CCOC3)n2C[C@](C)(O)C2CC2)c1 1507549662 KGCFNJMRNNHKDE-LOSJGSFVSA-N 467.570 2.147 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1CCc1csc(CC)n1)[C@H]1CCS(=O)(=O)C1 1507629772 PVTJLFTVNASVSA-KRWDZBQOSA-N 458.613 2.172 30 10 JEEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1CCc1cn[nH]c1)[C@@H]1CCS(=O)(=O)C1 1507639301 KCSXHFFPWDHIFO-HXUWFJFHSA-N 468.583 2.066 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CC[C@@H](F)C1)[C@H]1CCS(=O)(=O)C1 1507641083 YXZIOFOGIDYPAD-AQNXPRMDSA-N 471.558 2.494 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@]1(O)CCO[C@@H]1C 1507650707 QVABWGJRNPWMLN-IECBHUPTSA-N 457.575 2.005 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1CCNC(=O)Cc1cccc(F)c1 1507657270 USWDYAFPAHIEFN-UHFFFAOYSA-N 469.524 2.087 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@](C)(O)[C@@H](C)CC)CC1 1507736689 RTXJDTRUXLQIEV-OWAUWMPXSA-N 475.634 2.082 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CC2CN(C(=O)OC(C)(C)C)C2)CC1 1507739042 LJBCDMLZPFVOGU-HXUWFJFHSA-N 486.617 2.352 30 10 JEEE C#CCSCCn1c(COCC)nnc1N1CCN(Cc2nc(O)c3ccccc3n2)CC1 1507757346 SDNLMWPKWYWLHL-UHFFFAOYSA-N 467.599 2.152 30 10 JEEE C=CCN(CCc1ccco1)c1nnc(C(=O)Nc2ccccn2)n1CC1(O)CCOCC1 1508024696 JUVZGMLLSYSQMI-UHFFFAOYSA-N 452.515 2.295 30 10 JEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N(C)Cc1nc(O)c2sccc2n1 1508086010 WQXAXVOAIJKGFK-UHFFFAOYSA-N 470.584 2.283 30 10 JEEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 1508092462 YQLYZWCKOGQXFG-LJQANCHMSA-N 464.636 2.069 30 10 JEEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCOC2(CCCCC2)C1 1508092700 QUMXHTMNXYUHIQ-UHFFFAOYSA-N 458.588 2.111 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H](n2cncn2)C1 1508147734 BNRFQVRJPOIDLY-IPMKNSEASA-N 477.635 2.231 30 10 JEEE C=CCSCCn1c(-c2cccc(C)n2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1508154623 COAGMCNQCIAKMB-UHFFFAOYSA-N 464.599 2.388 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CCc2nccs2)c1 1539038884 VYLXWRAJUSBZPY-UHFFFAOYSA-N 451.556 2.172 30 10 JEEE C#CCCCCn1c(-c2noc3c2COCC3)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1539067436 GKAGYAAUNPSZQM-ROUUACIJSA-N 470.574 2.177 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(CC)s1)[C@@H]1CCS(=O)(=O)C1 1539202848 LPPZUYDZDHPMCT-MRXNPFEDSA-N 484.607 2.224 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CCCCN1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1539225118 LYJFGNDACPSWKD-JTHBVZDNSA-N 484.670 2.403 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1sccc1Br 1539415753 GNONKERTSMVOGJ-ZDUSSCGKSA-N 473.418 2.139 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2Cc2csc(COC)n2)CC1 1539434679 SMJBYRQDOZSFCP-UHFFFAOYSA-N 490.431 2.453 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCOC[C@H]2CCCO2)CC1 1539438104 NUZZDIFOBZMOKL-OAQYLSRUSA-N 454.531 2.194 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](N(C)Cc2ccccc2)C1 1539518299 XHLJIUNSPGDYOT-SFTDATJTSA-N 473.668 2.257 30 10 JEEE C=C(Br)Cn1c(Cc2ccccc2OC)nnc1N1CCO[C@@H](CNC(C)=O)C1 1539599699 CBWHXSMGIRKXFO-KRWDZBQOSA-N 464.364 2.127 30 10 JEEE C=C(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1539714613 PITZSZDVJPABQE-UHFFFAOYSA-N 451.579 2.096 30 10 JEEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1539742384 CYWSTMMDKNWRIR-UHFFFAOYSA-N 454.623 2.323 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1539918462 NDLDJRIRTAYBOM-INIZCTEOSA-N 493.659 2.107 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1540872988 IPPMZQSIOITLRS-UHFFFAOYSA-N 457.538 2.486 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCN1CCOCC1(C)C 1541112075 FDJJWTSBXIJWLE-INIZCTEOSA-N 450.547 2.301 30 10 JEEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCOC[C@H]2C)C1 1547779534 FATPXXNJQBIPGJ-LSTHTHJFSA-N 458.588 2.007 30 10 JEEE COCCN(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1555519441 GWYQJFVORUOAFM-CYFREDJKSA-N 454.575 2.169 30 10 JEEE C#CCNC(=O)CN1CCCN(C(=O)CC2(CC(=O)Nc3nccs3)CCCCC2)CC1 1565590029 KBSLLKHMAQUFDN-UHFFFAOYSA-N 459.616 2.096 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1587632608 MXLQLQXIPDBQJP-PKOBYXMFSA-N 492.550 2.173 30 10 JEEE C#CCCCCn1c(Cc2ccccc2F)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1587773252 GGXAYEMSOTVSSV-SFHVURJKSA-N 450.522 2.343 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H](CC(C)C)NC(=O)OCC)[C@@H]1CCS(=O)(=O)C1 1588050191 PLJCTIOJCRDSMC-ZWKOTPCHSA-N 476.603 2.061 30 10 JEEE C#CCSCCn1c(COc2ccccc2F)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1589116068 COUFFSYLFFVBDR-HXUWFJFHSA-N 486.573 2.129 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1cccc(Cl)c1 1589215816 DVYTUXOTPZXBBM-DENIHFKCSA-N 494.017 2.336 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@](C)(O)CCOC 1589216187 LJOJXWWKKNPEJL-NTUVXCKYSA-N 477.606 2.366 30 10 JEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2c(F)cc(F)cc2[C@@H]1C 1595405371 MEUQGKZWNLZPGS-UGSOOPFHSA-N 453.515 2.199 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1595544943 OGHBWOZWOGBOLW-QZTJIDSGSA-N 462.595 2.310 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1595766112 MHFZYQBFGRBFNM-GOSISDBHSA-N 492.552 2.324 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1595821424 BNMNTLCWHBZALL-NHCUHLMSSA-N 476.599 2.151 30 10 JEEE C[C@H]1CCCCN1CCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](C#N)C1 1612771972 CHETWAIYOIIAMN-ZWKOTPCHSA-N 457.604 2.263 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(C)C 1635310824 QPXKBFRRMRGHBX-NDXORKPFSA-N 452.573 2.248 30 10 JEEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1ccc(OC)c(OC)c1OC)[C@@H]1CCS(=O)(=O)C1 1689980041 KSBIHVRKTAOZNE-FUHWJXTLSA-N 476.599 2.492 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1Cc1c(C)nn(C)c1C)[C@H]1CCS(=O)(=O)C1 1689996551 JTTOWEARGAUQQJ-FQEVSTJZSA-N 482.610 2.191 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H](C)N2CCC(C)CC2)CC1 1690113214 CWFPEZQTFMNUNH-DHLKQENFSA-N 458.651 2.194 30 10 JEEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1690218397 DZYRAAIZENBEOM-UHFFFAOYSA-N 471.363 2.016 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(Oc2cncc(Cl)n2)CC1 1690309998 QCZJLLBRCOTGOO-INIZCTEOSA-N 461.954 2.313 30 10 JEEE C=C(Cl)Cn1c(N2CCC[C@@H](n3ccc(C(=O)NC)n3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1690358485 BPBKENRPCUTJOJ-VGOFRKELSA-N 477.997 2.469 30 10 JEEE C=CCn1c(Cc2c(F)cccc2F)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 1690644851 VFLYWHSGGSPLPA-UHFFFAOYSA-N 469.558 2.210 30 10 JEEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CCn1cc(Br)cn1 1696676042 GOZPUQQYSUMPQD-KRWDZBQOSA-N 469.347 2.396 30 10 JEEE COCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(Cn2cncn2)CC1 1697925746 AIQJVXVBEGDDSF-QHCPKHFHSA-N 450.547 2.112 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](CC)N2CCCC2)c1 1705505566 QIRGRVPEJIRGGS-SFTDATJTSA-N 463.586 2.160 30 10 JEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc(OC)c2)CC1 1705517102 OTRHONUSCOOCCB-IBGZPJMESA-N 457.600 2.319 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@H](C)Oc1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 1705565018 FIILBVDKNBBEGN-LPHOPBHVSA-N 489.001 2.426 30 10 JEEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1705585304 PYXOIXWSNFSXPK-DEOSSOPVSA-N 457.582 2.114 30 10 JEEE C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1705721646 NWTCGDMLJVCNHU-CQSZACIVSA-N 474.367 2.154 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCCN(C(C)C)C2)CC1 1705782098 OWLAWDYPAXZRMT-NHCUHLMSSA-N 480.679 2.134 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(c2ccc(O)cc2)CC1 1705894756 JWUHLNKFGZCGMT-UHFFFAOYSA-N 461.526 2.317 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(F)cc1C(F)(F)F 1722430030 ZFOZCKVPUXYAAF-OAHLLOKOSA-N 474.480 2.472 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCC[C@H]2CCCCO2)CC1 1722443428 IPCZJWVZIMRUTP-PXDATVDWSA-N 473.618 2.245 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)N(C)c1ccccc1 1722475517 UYRFOYFMWCBIEI-ZILOHOTNSA-N 486.642 2.128 30 10 JEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 1722527341 GRDASJULQKPZAE-ZWKOTPCHSA-N 462.595 2.456 30 10 JEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)C(F)(F)F)C1CC1 1722650711 JFPPNMGUDBPGCE-CQSZACIVSA-N 451.515 2.354 30 10 JEEE C=CCNC(=O)Cn1c(N2Cc3ccccc3O[C@H](C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1722704202 QFWFYGNHGAGNLF-HOYKHHGWSA-N 455.559 2.408 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(OC)cc2OC)C1 1722719727 YZFDUUMDHANKTA-MJGOQNOKSA-N 462.572 2.027 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1740650153 QPFFQDMLMIKIMT-XMMPIXPASA-N 454.596 2.255 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCc1nc2ccccc2[nH]1 1740655961 GWRFBWSVZJWJAA-GOSISDBHSA-N 450.568 2.152 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccc(Cl)cc2OC)CC1 1740691949 DIXOIAARZIMOIL-QHCPKHFHSA-N 459.978 2.396 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccnc(SC)c2)CC1 1740702976 CISQBNOUCSZLNH-DEOSSOPVSA-N 484.626 2.061 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC(C)(C)OCC)CC1 1740703081 FRCAQBQMLOSHAW-DEOSSOPVSA-N 461.607 2.100 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccc(F)cc2)CC1 1740703324 NTKQGLPJTSBYIK-XMMPIXPASA-N 455.534 2.083 30 10 JEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ncnc3ccsc23)CC1 1740709867 MXNDTQGEAAFBEE-UHFFFAOYSA-N 470.628 2.114 30 10 JEEE C#CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CCC(=O)NC 1740723918 WIBCAJOVSZEYJY-INIZCTEOSA-N 450.609 2.289 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)COC)CC1 1740759989 NFPKTXOTNWWKEP-XXBNENTESA-N 457.550 2.284 30 10 JEEE C=C(Cl)Cn1c([C@H](C)OCCOC)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1740803795 NNUKAASLRHVNOC-NSHGMRRFSA-N 483.057 2.381 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cnn(C)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1740915397 FJNGMWBOLVUYJU-IBGZPJMESA-N 485.614 2.161 30 10 JEEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1740936465 VPRPWFKEWMNHKJ-HSZRJFAPSA-N 467.551 2.194 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1740966912 YSZJJNBAKBOIOH-UOUMEPNKSA-N 461.607 2.273 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN([C@@H](C)c2nccs2)CC1 1740990878 INCCTXOFLVHNOT-ROUUACIJSA-N 480.660 2.460 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCC(NC(=O)C2CC2)CC1 1740992347 FTWCEHWZMBXTFM-UHFFFAOYSA-N 493.580 2.243 30 10 JEEE C=CCSCCn1c(-c2cccc(C)n2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1741000264 OGJXDMMCMNFVFY-UHFFFAOYSA-N 450.634 2.476 30 10 JEEE CNC(=O)[C@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCOC[C@H]2C)C1 1748143006 CFTBMGARSWRODI-ROMRWMGNSA-N 452.559 2.364 30 10 JEEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1748730120 FFGYFFXSLRTVRZ-UHFFFAOYSA-N 452.588 2.342 30 10 JEEE C#CCCCn1c(N2CCN([C@H](C)C(=O)NC3CCCC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1748764772 VNUCCSOQZDCADN-RLWLMLJZSA-N 486.661 2.301 30 10 JEEE C#CCN(c1nnc(C)n1C[C@H]1CC2(CC2)CN1C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1748805374 QOPOXRWYWNIFKK-ZWKOTPCHSA-N 463.604 2.003 30 10 JEEE C#CCN(c1nnc(-c2ccc(OCC)c(OC)c2)n1CC[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1748809603 OKCBMHOLHNIQHR-AZUAARDMSA-N 488.610 2.406 30 10 JEEE C#CCN(c1nnc(C2CCCC2)n1CCCOC[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1748814260 BXBINDUNJANLDT-UYAOXDASSA-N 450.605 2.006 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(NC(=O)C2CCC2)c1 1748959923 AQRKVBCRPXVCJJ-HXUWFJFHSA-N 450.543 2.102 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(COc3ccccc3F)n2CC(=O)NCC(F)(F)F)C1 1749719183 PEVWQJDZHOFZKF-AWEZNQCLSA-N 457.428 2.456 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1749730545 IBJXSXGAPUDCAP-SPEDKVCISA-N 461.588 2.022 30 10 JEEE C=CCSCCn1c([C@H]2CCCO2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1749767172 SQWUWNHWUKVDIC-NHCUHLMSSA-N 464.680 2.280 30 10 JEEE C#CCN(c1nnc(-c2ccc(Br)s2)n1CC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1760182002 AHIWQVDVHKQLFA-CYBMUJFWSA-N 485.429 2.311 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H](C)Oc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1760190858 ZZQLEFZBENUUJD-ICSRJNTNSA-N 481.578 2.443 30 10 JEEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCCS1(=O)=O 1760235276 IBLYTFOJOBUICY-QZTJIDSGSA-N 481.619 2.013 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@]1(O)CCSC1 1760249790 TTZGMAABSAZEOS-MBSDFSHPSA-N 479.647 2.347 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCO[C@@H]2C(C)C)CC1 1760261005 IULJZZZHWGQWEM-GHTZIAJQSA-N 456.616 2.086 30 10 JEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1760348898 QGQSQFPPLMFGIW-UHFFFAOYSA-N 472.512 2.002 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CN2CCCC2=O)n1CC1(S(C)(=O)=O)CC1 1760480433 UYIAIHPWBOKQGK-UHFFFAOYSA-N 468.583 2.042 30 10 JEEE C=CCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCC(S(C)(=O)=O)CC1 1760509599 STXWOXNHXYTDPA-UHFFFAOYSA-N 456.572 2.435 30 10 JEEE C=CCOc1ccc(Cn2c(N(C)[C@H]3CCS(=O)(=O)C3)nnc2[C@]2(OCC)CCOC2)cc1 1760531335 LTODDWBATYZATO-CVDCTZTESA-N 476.599 2.167 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)[C@H](C)C1 1760532937 JSZBURWPBHYBNU-OPYAIIAOSA-N 475.615 2.316 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(-c3n[nH]c(C)n3)cc2)C1 1760534406 XSSAFBLREDMEOE-IBGZPJMESA-N 450.547 2.339 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(c2ccc(C)c(C)c2)CC1 1760555733 LUCWKBHXYLAVFU-FQEVSTJZSA-N 459.616 2.326 30 10 JEEE CC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)c2cccs2)CC1 1760648444 HTWVQAVYZUTPRH-UHFFFAOYSA-N 463.567 2.413 30 10 JEEE CC(C)(C)NC(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1760770938 HEYLPUSYPMMCOO-IBGZPJMESA-N 466.590 2.418 30 10 JEEE CC(C)COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(C(N)=O)CCOCC2)CC1 1761136417 HCZRXCQXGBXUEF-UHFFFAOYSA-N 495.584 2.013 30 10 JEEE CCOCc1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1CC(=O)NCC(F)(F)F 1766400422 DAOLERQUXICYEQ-UHFFFAOYSA-N 485.898 2.345 30 10 JEEE CCOC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1767325798 HUYLXOVHTVFQKI-UHFFFAOYSA-N 465.602 2.376 30 10 JEEE N#CC1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1770740476 HHEZDUVIVUNIKU-KRWDZBQOSA-N 486.417 2.059 30 10 JEEE O=C(C1=C(O)C(=O)N(CCCO)[C@@H]1c1ccc(O)c([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 1862609999 AFDAKGXBMCFEFC-LJQANCHMSA-N 456.407 2.032 30 10 JEEE COCCCn1cc(OCC(=O)Nc2sc3c(c2C#N)CCC3)c(=O)cc1CN1CCN(C)CC1 1870323982 PGKYWWQMIQIKDV-UHFFFAOYSA-N 499.637 2.072 30 10 JEEE C=CCn1cc(OCC(=O)Nc2nc(-c3ccccc3)cs2)c(=O)cc1CN1CC(O)C1 1870332388 IVLPSEKUVUBQJD-UHFFFAOYSA-N 452.536 2.352 30 10 JEEE COc1ccccc1/C=N/n1c(CNC(C)=O)nnc1SCC(=O)NCc1ccccc1 1874436296 UYVAEBNLFWHOSJ-DHRITJCHSA-N 452.540 2.214 30 10 JEEE COc1nc(CNC(=O)C2CCN(c3oc(-c4cccs4)nc3C#N)CC2)nc(N(C)C)n1 1891256177 HYCCBYDFDHQYSD-UHFFFAOYSA-N 468.543 2.067 30 10 JEEE N#Cc1ncccc1OC1CN(C(=O)[C@@H](Cc2ccccc2)NC(=O)COc2ccccc2)C1 1891755857 DPLZNTBUWAFTHT-JOCHJYFZSA-N 456.502 2.349 30 10 JEEE N#CCCNC(=O)C[S@](=O)CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 2019049266 SAXRPPIZILRPOM-JTMIDMFHSA-N 483.546 2.147 30 10 JEEE CC1(C)OB(c2csc(C(=O)N3CC(CNC(=O)C(F)(F)F)C3)c2Cl)OC1(C)C 2247801841 IFKIJQITCCSTTG-UHFFFAOYSA-N 452.691 2.451 30 10 JEEE CN(C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)[C@H]1CC[C@@H]1NC(=O)OCc1ccccc1 2247826660 XZTTTXCUZLESEG-ROUUACIJSA-N 454.336 2.238 30 10 JEEE COC1(C(=O)NCc2sccc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2256653494 GIVNFMLJNPXEDL-UHFFFAOYSA-N 452.382 2.299 30 10 JEEE CO[C@@H]1C[C@@H](CNC(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)N(C(=O)OC(C)(C)C)C1 2267009803 QLSIJMAZMQATED-JKSUJKDBSA-N 450.341 2.333 30 10 JEEE CN1CCN(C(=O)OC(C)(C)C)[C@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2267129031 WKMKLNJBZWLUCW-MRXNPFEDSA-N 465.425 2.328 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](NC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)CCO1 2267162037 KKEHWHVKIDBQNJ-KBPBESRZSA-N 467.397 2.244 30 10 JEEE Cn1nc(C(=O)NC2[C@H]3CN(Cc4ccccc4)C[C@H]23)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2267179966 ATMXEDYKPHOJME-HOTGVXAUSA-N 456.783 2.233 30 10 JEEE CC(C)(C)OC(=O)NC1CC(NS(=O)(=O)Cc2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267471951 WTKVAOYZUAEBRV-UHFFFAOYSA-N 466.409 2.461 30 10 JEEE Cc1c(C(=O)N(C)[C@@H](C)CN(C)C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267529226 YEZAEZJIMZBSCJ-AWEZNQCLSA-N 450.389 2.355 30 10 JEEE Cc1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H](CO)CNC(=O)OC(C)(C)C 2270435824 AUSVLBRUBNWBCC-CQSZACIVSA-N 452.332 2.049 30 10 JEEE CC1(C)OB(c2c[nH]c(C(=O)NC[C@@]34CN(Cc5ccccc5)C[C@@H]3CCO4)c2)OC1(C)C 2282208283 IDWABVJDIOOIMV-UQBPGWFLSA-N 451.376 2.335 30 10 JEEE C[C@H]1CN(Cc2ccccc2)C[C@@H]1CNS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282299104 RDCHBSLOCIIBQA-ICSRJNTNSA-N 471.432 2.427 30 10 JEEE Cc1nc(C(=O)N2C[C@H]3OCCN(Cc4ccccc4)[C@@H]3C2)c(B2OC(C)(C)C(C)(C)O2)s1 2282515625 UMVNAPIOVBQDJM-RTBURBONSA-N 469.416 2.476 30 10 JEEE Cc1c(C(=O)N2[C@@H](C)CN(C(=O)OC(C)(C)C)C[C@@H]2C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282592454 CXKRCLZICJZRSV-GJZGRUSLSA-N 462.400 2.498 30 10 JEEE Cc1cnc(C(=O)NC[C@]2(NC(=O)OC(C)(C)C)CCOC2)c(B2OC(C)(C)C(C)(C)O2)c1 2282644572 MEVHLWMVMMZFPI-HSZRJFAPSA-N 461.368 2.103 30 10 JEEE CCN(CC)CCN(Cc1ccccc1)S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282832705 BUQZPPLUAWHKFL-UHFFFAOYSA-N 476.452 2.252 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)Nc1nc(CNC(=O)OC(C)(C)C)cs1 2282849131 XENGWCNMWPYPHL-UHFFFAOYSA-N 499.424 2.001 30 10 JEEE CCN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(O)cc1O)C1CN(C(=O)OC(C)(C)C)C1 2282991535 HHRGLZVMOAEXTK-UHFFFAOYSA-N 462.352 2.478 30 10 JEEE CC1(C)OB(c2cccc(S(=O)(=O)N[C@H](COCc3ccccc3)CC(=O)O)c2)OC1(C)C 2284409105 FJKZFXWBNWNKDN-IBGZPJMESA-N 475.372 2.324 30 10 JEEE CN(CCNC(=O)OC(C)(C)C)CC(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2285184847 SOPFBRZJTSTSDJ-UHFFFAOYSA-N 465.375 2.198 30 10 JEEE COc1ccc([C@@H]2C(=C(O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN(C)C)cc1OC 2296560804 ITKKXQAIFCMAEZ-JOCHJYFZSA-N 468.506 2.458 30 10 JEEE CC(C)(C)OC(=O)NC[C@H](O)C(=O)NCc1sc(Cl)cc1B1OC(C)(C)C(C)(C)O1 2303772443 IIXDFHBAKKQACU-LBPRGKRZSA-N 460.789 2.203 30 10 JEEE COc1ccc(OCCCc2nnc(SCC(N)=O)n2N=Cc2ccc(O)c(O)c2)cc1 2326252060 SKOGUNWCWZUQEJ-UHFFFAOYSA-N 457.512 2.169 30 10 JEEE COc1ccc(NC(=O)[C@H](CCO)NC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2339739875 ZCHNGNOJGOQSKC-INIZCTEOSA-N 450.341 2.209 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@]12CCCN(C(=O)OC(C)(C)C)C[C@@H]1C2 2362352398 CUPIUDFGQGFECI-WNSKOXEYSA-N 460.384 2.239 30 10 JEEE COC(=O)c1ccc(/C=N/Nc2nc(SCC(=O)NCc3ccc(OC)cc3)n[nH]2)cc1 20905718 ZTEVQUZVRTYEJV-FSJBWODESA-N 454.512 2.454 30 10 JEEE Cc1cc(C)n(CC(=O)Nc2ccccc2C(=O)N2CCN(c3ccccn3)CC2)c(=O)c1C#N 33048864 FMVZFHUKJJNPQU-UHFFFAOYSA-N 470.533 2.333 30 10 JEEE C=CCn1nc(C)c(/C=N/Nc2nnc(SCC(=O)Nc3cccc(OC)c3)n2N)c1C 59829884 CTXMIVIEUNMRPF-SSDVNMTOSA-N 455.548 2.177 30 10 JEEE COCCn1cc(/C=N/Nc2nc(SCCC(=O)Nc3cccc(NC(C)=O)c3)n[nH]2)cn1 59887186 AHFVWUHHEWCWNN-SRZZPIQSSA-N 471.547 2.173 30 10 JEEE C=CCNC(=O)CN1CCN(C(=O)C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)CC1 512365544 AJJOYSSUVSETOF-UHFFFAOYSA-N 466.504 2.004 30 10 JEEE C=CCNC(=O)CN1CCN(C(=O)c2cccc(NS(=O)(=O)c3cc(C)ccc3C)c2)CC1 512710348 QYQCAYLHYYKUHH-UHFFFAOYSA-N 470.595 2.164 30 10 JEEE CCc1cccc(-n2c(=C(C#N)C(=O)NC(C)C)sc(=Cc3cnn4ccccc34)c2=O)c1 729670444 SAORWFYKCGIWQQ-UHFFFAOYSA-N 457.559 2.137 30 10 JEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1286324057 NYQKVAUIWMBAAW-BZUAXINKSA-N 463.526 2.049 30 10 JEEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1CC1(C)COC1)[C@@H]1CCS(=O)(=O)C1 1286397877 VHUBGVAYSQGHKE-QGZVFWFLSA-N 464.975 2.174 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCCN2Cc2ccccc2)CC1 1286485436 LRKDEOJDESMJJT-QHCPKHFHSA-N 491.640 2.047 30 10 JEEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 1286692756 HMXBXPTUSHNDAQ-QAPCUYQASA-N 479.582 2.394 30 10 JEEE C=CCCOCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1286706015 IYZCLHCPLKKOOD-IBGZPJMESA-N 490.630 2.210 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1cc(Cl)ccn1 1286813731 AMNXZDYYRFKOBT-UHFFFAOYSA-N 475.962 2.211 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC(C(=O)Nc2ccccc2)CC1 1286820986 XDLKVFHVOVLSJP-LJQANCHMSA-N 473.599 2.238 30 10 JEEE CC(C)(C)Cc1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@H]1CCCN1S(C)(=O)=O 1287033066 FARKWXNFTISKDV-HXUWFJFHSA-N 485.658 2.489 30 10 JEEE C[C@]1(C#N)CCCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1288974026 AKJKVBBQKASUDE-AUUYWEPGSA-N 496.435 2.447 30 10 JEEE Cc1cc([C@@](C)(O)Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(NS(C)(=O)=O)CC2)c(C)o1 1289289924 CUOBOYPJBQSXOW-DEOSSOPVSA-N 498.609 2.452 30 10 JEEE C#CCCCCn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)NCc2ccccc2)CC1 1300363290 XYLDZSKBBRGERY-QHCPKHFHSA-N 464.614 2.414 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1ccc(OC)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1300486957 CJFOVHYAPCIOPM-QGZVFWFLSA-N 455.515 2.163 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1nc(C(C)(C)C)cs1)[C@@H]1CCS(=O)(=O)C1 1300495024 BNLHHBROGTZZJX-JKSUJKDBSA-N 463.629 2.211 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCc1nc2c(s1)CCCC2 1300671081 BNQDXWGESLOCLR-KRWDZBQOSA-N 477.656 2.234 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CCNC(=O)c2cccc(C)c2)CC1 1300712110 MJMSESQCBKVKRJ-UHFFFAOYSA-N 450.587 2.280 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCn2ccnc2C)CC1 1300718148 CPASXGJCUFNNPW-UHFFFAOYSA-N 462.514 2.024 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CCOCc2ccccc2)CC1 1300726552 NWNKHIJHROGVHS-UHFFFAOYSA-N 458.566 2.447 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1300892473 SVDGZRYMXWDVMH-UWVAXJGDSA-N 493.655 2.264 30 10 JEEE C=C(C)COCCn1c(-c2cc(Br)cn2C)nnc1N1CCN2C(=O)CC[C@@H]2C1 1300975319 SUKAGTHAJWVSSN-MRXNPFEDSA-N 463.380 2.450 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](C(=O)N(C)c2ccccc2)C1 1300992137 UQRFFERNTDITDB-QUCCMNQESA-N 452.559 2.311 30 10 JEEE C=CCN(CCOC)c1nnc(-c2cnn(C)c2)n1Cc1ccc(N2CCOCC2)c(F)c1 1301422380 IZQBUDFCLABUPO-UHFFFAOYSA-N 455.538 2.341 30 10 JEEE C=CCn1c(COc2ccc(Br)cc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1301468870 RDECPNJNWCIHPV-UHFFFAOYSA-N 475.347 2.326 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@H](CN(CC)CC(F)(F)F)C1 1301501348 VELVKEWPRQXRMS-IAGOWNOFSA-N 458.529 2.185 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCN(CC(F)(F)F)CC2)cc1 1301525041 FRMBEDQGMHZDKE-GOSISDBHSA-N 499.559 2.478 30 10 JEEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCn3c(Cc4ccccc4F)nnc3C2)c1 1309650146 ZERWZZHPIDUUDB-UHFFFAOYSA-N 455.515 2.128 30 10 JEEE CC[C@H](C#N)Oc1cc(CNC(=O)N2CCc3c(cccc3S(N)(=O)=O)C2)ccc1OC 1311962934 HRBVOKHVGXENEU-QGZVFWFLSA-N 458.540 2.291 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCC=CO1)[C@H]1CCS(=O)(=O)C1 1358956177 BJJLXUXFQFFDNZ-JKSUJKDBSA-N 480.388 2.355 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCCS(C)(=O)=O)CC1 1359030227 QUTJWZRQPVZIIU-HXUWFJFHSA-N 459.616 2.225 30 10 JEEE C#CCSCCn1c(-c2ccccc2Br)nnc1N1CCS(=O)(=O)CC1 1359053062 ABRRNTBBEZXREJ-UHFFFAOYSA-N 455.403 2.309 30 10 JEEE C=C(Br)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(CCOC)CC1 1359080070 FEQGFYGKIZQLOS-UHFFFAOYSA-N 450.337 2.351 30 10 JEEE C=C(C)COCCn1c(COc2ccccc2F)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1359136489 KCTIORQLPNRMLH-KRWDZBQOSA-N 467.567 2.059 30 10 JEEE CC(=O)NCCN(CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)Cc1ccsc1 1460001241 FPBRBFDMKPPRER-QFIPXVFZSA-N 457.575 2.234 30 10 JEEE C#CCN(CC(=O)N1CC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1)C(=O)OC(C)(C)C 1467879503 KSEZVTHUNMOZOE-GOSISDBHSA-N 450.580 2.010 30 10 JEEE CCN(CC)C(=O)CCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@](F)(C#N)C1 1501755574 AZVMAVNMXCJAPS-XMMPIXPASA-N 480.548 2.283 30 10 JEEE CCN1CCN([C@H](C)Cn2c(-c3ccc4c(c3)OCCO4)nnc2N(C)[C@H](C)CC#N)CC1 1502310732 FKPZOBKCEGXSDH-RTBURBONSA-N 453.591 2.481 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1507549384 ZTVCTSUHXWXQRY-TWWGPRNNSA-N 454.575 2.128 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@]1(O)CCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1507623432 SBBDEOKIEQOYBM-DZRGJMJISA-N 499.637 2.325 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCN1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1507628251 NHQUHESTISFYBM-QFIPXVFZSA-N 466.611 2.175 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@H](C)N1CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1507631788 GFIQMGSQNRFJSX-ANULTFPQSA-N 463.648 2.267 30 10 JEEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1CCCCC=C)[C@H]1CCS(=O)(=O)C1 1507633120 BIYKBGGOUJWZEK-FQEVSTJZSA-N 452.584 2.500 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@H]1CCCN1CC)[C@H]1CCS(=O)(=O)C1 1507640583 UCWTWRDDTYFSQU-MOPGFXCFSA-N 475.590 2.107 30 10 JEEE C#CCN(CC#CC)c1nnc(Cc2ccccn2)n1CC1(NC(=O)OC(C)(C)C)COC1 1507670421 KYQRUKOBTNJPTJ-UHFFFAOYSA-N 450.543 2.021 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(SC)cc1 1507690325 RBLFOIUPKRFCDP-IBGZPJMESA-N 463.629 2.035 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc4c(s3)CC[C@H](C)C4)n2CCN(C)CCOC)CC1 1507720033 GQRYVTNPDMKAKS-IBGZPJMESA-N 456.660 2.465 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(C)cc2OCCOC)CC1 1507738475 POZVMHDMCAWAFK-UHFFFAOYSA-N 489.580 2.083 30 10 JEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2Cl)CC1 1507745948 HAZHZLMQGDYAKM-INIZCTEOSA-N 483.063 2.235 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccc2OC)nnc1N1CCN(C(=O)NC)CC1 1507804354 KMGBAPDBBXDTOM-UGKGYDQZSA-N 454.575 2.320 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC2CC2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1507804754 HTQNGVPRZQESPC-ZVDOUQERSA-N 451.637 2.320 30 10 JEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(N3CCOCC3)c(F)c2)CC1 1507881566 OIDNIHXKNKGTHK-QGZVFWFLSA-N 478.594 2.069 30 10 JEEE C=CC1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H]2CCS(=O)(=O)C2)CC1 1507903579 SGBXGAUKPFNENV-RTBURBONSA-N 495.646 2.424 30 10 JEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 1507953217 FFSBDHNOBQFZKZ-ROUUACIJSA-N 498.650 2.023 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc(CN2CCCC2=O)n1C[C@H]1CCCN1S(C)(=O)=O 1508003119 SZTKVBRZCQDWMM-HXUWFJFHSA-N 472.615 2.017 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1508143112 DRAFGRDBJBMSSR-QHCPKHFHSA-N 498.653 2.497 30 10 JEEE C=CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1508148920 YUHSYTVVXMJNFA-UHFFFAOYSA-N 485.658 2.277 30 10 JEEE CC(C)(C)OC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)C2CC2)CC1 1508635115 GCHJFEQJTQULMS-UHFFFAOYSA-N 465.558 2.400 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1cccc(C(F)(F)F)n1 1510192917 DMYHQDJRWVIUJL-UGSOOPFHSA-N 471.509 2.480 30 10 JEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2nc3cc(C)ccc3o2)CC1 1539053161 LRDYGGVSVJJPMU-GOSISDBHSA-N 485.614 2.468 30 10 JEEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](CN2CCOCC2)C1 1539124239 CQWVERNBEPZRAM-NHCUHLMSSA-N 488.633 2.158 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@]1(O)CCOC1)[C@@H]1CCS(=O)(=O)C1 1539211324 HPMHPNKXJNHSHK-QRWLVFNGSA-N 485.393 2.030 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCCC(=O)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1539211927 QBMQJZWBGBFPBE-OAQYLSRUSA-N 482.610 2.092 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccc(OC)cc2)n1C[C@H]1CCCN1c1cnn(C)c1 1539279189 XRTQEWCHUVDOKD-HXUWFJFHSA-N 459.554 2.341 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[C@@H](C)c2ccccc2)CC1 1539481223 ISCHVCXICQXMJH-KNQAVFIVSA-N 483.638 2.340 30 10 JEEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1539499059 CFTUBCXHMCGMID-SFHVURJKSA-N 456.572 2.378 30 10 JEEE C#CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 1539505804 DRDDSRXPIPMGHC-HNNXBMFYSA-N 450.586 2.300 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N(C)CCS(C)(=O)=O 1539621766 BUHAHHGJTHLOGP-OXJNMPFZSA-N 464.588 2.424 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1539627774 LPJQYVOVHABINV-VYDXJSESSA-N 465.480 2.221 30 10 JEEE C=CC1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC(=O)NC(C)C)CC1 1539877807 GAKNNEGKYIXDDY-UHFFFAOYSA-N 460.604 2.122 30 10 JEEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1540019658 KZGIEJABUUGHPZ-UHFFFAOYSA-N 491.552 2.186 30 10 JEEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(=O)c2ccco2)CC1 1540872256 IELZHXUIFNBYGA-UHFFFAOYSA-N 470.480 2.005 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](Oc2ccccc2)C1 1540877155 MFHANVBGIWIQEG-VCOUNFBDSA-N 455.559 2.352 30 10 JEEE C[C@H](CNC(=O)OC(C)(C)C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1 1541885836 GLFBXDGTJJJUFN-QGZVFWFLSA-N 483.573 2.216 30 10 JEEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCC(=O)N(C)C)C[C@@]2(CCO[C@@H]2C)O1 1545057683 AEVYENPDIBDIRC-MPCDZSKCSA-N 482.585 2.370 30 10 JEEE CNC(=O)[C@H]1CN(C(=O)c2nccn2C)CC12CCN(c1ccc(C#N)c(C(F)(F)F)c1)CC2 1548375402 KYKDTZUJQOFRIW-GOSISDBHSA-N 474.487 2.415 30 10 JEEE C[S@](=O)C1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(C(=O)NC(C)(C)C)CC2)CC1 1555821142 HZEKPCBPNKYBFR-XIFFEERXSA-N 469.615 2.358 30 10 JEEE C=CC1CCN(C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c2ccccc2Br)CC1 1565744132 ZSNAAIZDMTWCRM-QGZVFWFLSA-N 457.390 2.407 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@H](F)COC)[C@H]1CCS(=O)(=O)C1 1588030566 XNAMHSYCMOWQOJ-JQHSSLGASA-N 468.526 2.168 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ccc(C(F)(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 1588049387 GBIMQUQXSDRBBC-QGZVFWFLSA-N 476.484 2.429 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1588059535 PUNVXDYVXQFGGL-OAQYLSRUSA-N 459.591 2.121 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@]1(O)CCSC1 1588134282 VZFOCJHUHHILGP-FDDCHVKYSA-N 459.616 2.333 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCCOC3)n2C[C@@H]2CC(F)(F)CO2)n1 1588723652 OFFYKRKUGVUBGD-MJGOQNOKSA-N 464.517 2.079 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CC(C)(C)N2CCc3ccccc3C2)CC1 1588732441 AGDDLQWDFLLXLL-UHFFFAOYSA-N 463.630 2.008 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](c2ccsc2)N(CC)CC)CC1 1588806115 HDHLDPZYNCBPRE-UXHICEINSA-N 455.632 2.129 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(OC)c(OC(F)F)c2)CC1 1588929595 DLDUZKRQTIKAFE-GOSISDBHSA-N 489.523 2.406 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCC2CCN(CC(F)(F)F)CC2)CC1 1588929921 JATLXCVXQGIFAT-HXUWFJFHSA-N 496.578 2.412 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(N3CCSCC3)CCCC2)C1 1595672693 BSCVMIQDLVQDJA-MOPGFXCFSA-N 498.719 2.031 30 10 JEEE CC(=O)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCOC2CCOCC2)CC1 1596126602 MZSFOWZWRZJUCG-UHFFFAOYSA-N 482.585 2.373 30 10 JEEE CC(C)CN1CCC[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CC(=O)N2CCOCC2)C1 1607448239 FFJJJHCDUNSJJT-JOCHJYFZSA-N 479.629 2.480 30 10 JEEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)c1ccccc1F 1611307764 GQWPVHVGNCREQR-APWZRJJASA-N 478.594 2.466 30 10 JEEE Cc1nn(C)c(N2CCN(c3nnc([C@H]4CCOC4)n3CCN(C(C)C)C(C)C)CC2)c1C#N 1612469445 AICOBBPHRGXVHN-FQEVSTJZSA-N 469.638 2.141 30 10 JEEE C=CCN(C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)[C@H]1CCS(=O)(=O)C1 1628190268 GOUAFHBIIJSCHO-AWEZNQCLSA-N 456.571 2.151 30 10 JEEE Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)cc1C 1633340027 AWZJETOGJZZXBQ-JOCHJYFZSA-N 450.587 2.217 30 10 JEEE N#Cc1ncn(CCNC(=O)NC2(Cc3ccc(F)cc3Br)CCOCC2)n1 1680972733 FLHJSSJZKUOVMQ-UHFFFAOYSA-N 451.300 2.142 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(N2CCOCC2)CC(OCC)C1 1689831964 UXAFOEYHUDSHGC-GKNBJYPNSA-N 475.634 2.047 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CCn1cc(Br)cn1 1690043977 VFGZDTFWCWXLAX-UHFFFAOYSA-N 470.331 2.128 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCCCN2CCC[C@H]2CO)CC1 1690110654 VHXLAQJRIWDVNP-DEOSSOPVSA-N 493.656 2.139 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2CCc2ccccn2)CC1 1690148499 JLKYVJFLUPVCIV-UHFFFAOYSA-N 458.566 2.481 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1OC(F)F 1690206258 KYVQGDWQRHBQLC-XMSQKQJNSA-N 495.552 2.253 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)CCNS(C)(=O)=O 1690237804 AVPXUZPBTAUNGT-GHTZIAJQSA-N 485.614 2.302 30 10 JEEE C=C(C)Cn1c(N2CCN(C[C@H]3CN(C(C)C)CCO3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1690298165 RBGMPBROGQHUGR-DHLKQENFSA-N 476.666 2.126 30 10 JEEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1cnn(C)c1 1690465213 VMDCVLFBADQTIO-RBUKOAKNSA-N 463.608 2.042 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1690664380 QRHYBURLYNZMCM-UHFFFAOYSA-N 491.999 2.030 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C1[C@H]2CCC[C@H]12 1690724287 LMZIPKUQOAFYGT-BZSNNMDCSA-N 495.646 2.422 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCC(S(=O)(=O)CC)CC1 1690725235 JFOTVQHYDQJHLJ-UHFFFAOYSA-N 484.619 2.012 30 10 JEEE C[C@@H](CN(C)C(=O)OC(C)(C)C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1 1692682259 GISSIYHMXFHBCJ-FUHWJXTLSA-N 480.635 2.423 30 10 JEEE Cc1cccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CC2(O)CCN(C(C)C)CC2)c1 1693225360 BBKBMQYJSBQNBS-OAQYLSRUSA-N 454.575 2.130 30 10 JEEE Cn1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@H](C(=O)NCC(F)(F)F)C2)cn1 1696857780 AJBTYZWNNSPLEB-KRWDZBQOSA-N 488.474 2.015 30 10 JEEE COCC1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)CCC1 1697805098 CDDWHNJNDOHTTP-KRWDZBQOSA-N 458.588 2.104 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@]1(C)CN(C2CC2)C1=O 1705476031 YATDVMHJQIEPRR-NPMXOYFQSA-N 454.962 2.330 30 10 JEEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](c1cccc(C)c1)N1CCOCC1 1705540474 AUZHYJRXDXWMBX-OAQYLSRUSA-N 459.554 2.377 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CC1CCC(F)(F)CC1)[C@H]1CCS(=O)(=O)C1 1705561466 QLFYQAIYAVKRMC-RXVVDRJESA-N 486.585 2.382 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1CCCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1705562295 ZVXFZVNPRNRKEP-HXUWFJFHSA-N 498.609 2.184 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H](C)Oc1ccccc1F)[C@H]1CCS(=O)(=O)C1 1705571748 HDEOIGCHTSAMPM-ABSDTBQOSA-N 462.547 2.363 30 10 JEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(NC(=O)N(C)C)cc1 1705585239 OSSZTXMHTKSGIT-UHFFFAOYSA-N 475.578 2.484 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccnc(OC2CCCCC2)c1 1705627730 OJDGKAJGTQSOOD-FQEVSTJZSA-N 452.559 2.470 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@H](C)CN2CCOCC2)CC1 1705632921 FIUYHZCPXHGPAY-NHCUHLMSSA-N 470.593 2.281 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@]2(O)CCSC2)CC1 1705645001 IGZHOOZVTQYJFG-MZNJEOGPSA-N 487.601 2.391 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1CC1CCN(C(=O)OC)CC1 1705666823 JKIRIOCSFUFLMI-HSZRJFAPSA-N 451.531 2.396 30 10 JEEE C=C(Br)Cn1c(N2CCC(OCCOC)CC2)nnc1[C@]1(OCC)CCOC1 1705692648 OYIUNGFHVPTWSH-IBGZPJMESA-N 459.385 2.471 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1705714150 GTCQFPOQTXIDHV-GOSISDBHSA-N 499.641 2.359 30 10 JEEE C=CCCOCCn1c(-c2cc(F)ccc2Br)nnc1N1CCO[C@@H](C(=O)NC)C1 1705826800 JZDGGMALHKKNAN-QGZVFWFLSA-N 482.354 2.391 30 10 JEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2cccc(F)c2)C1 1705829900 FNXNNMJOYIUDPH-UYAOXDASSA-N 464.563 2.490 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(OC2CCC(C)CC2)CC1 1705903521 XJSDXZJUNRCPFK-JLAWEPINSA-N 479.647 2.047 30 10 JEEE C=CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1705945252 GJTTWGKSPYSKOU-MSOLQXFVSA-N 454.604 2.468 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@](C)(O)c1cccc(Cl)c1 1708756596 FGJCRULPTMZNFI-PGRDOPGGSA-N 460.966 2.486 30 10 JEEE Cn1nccc1[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC(F)F)C1 1711286221 HTQIKWXOMBMZGQ-KRWDZBQOSA-N 454.485 2.316 30 10 JEEE C#CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC(=O)N(C)[C@@H](C)C1 1722316424 HYTQHHPBASGVHP-ROUUACIJSA-N 460.579 2.057 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)Cc1c(F)cccc1F 1722333286 VCJHMZMCPCYAME-LJQANCHMSA-N 467.542 2.329 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@H]1CCN(CCC)C1)[C@H]1CCS(=O)(=O)C1 1722371492 JGFSRTNQJZONJB-GOTSBHOMSA-N 469.655 2.422 30 10 JEEE C#CCN(CCOC)c1nnc(Cc2ccc(F)cc2)n1C[C@H]1CCCN1c1cnn(C)c1 1722426421 HWRWJRXCLCVLAX-OAQYLSRUSA-N 451.550 2.497 30 10 JEEE C#CCN1CCN(c2nnc(CC(C)(C)C)n2CC[C@H](N2CCOCC2)C(F)(F)F)CC1 1722438587 ZPTHMFWQKAVKRK-SFHVURJKSA-N 456.557 2.275 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2conc2COC)CC1 1722443303 QVFBEVXOSVJIKW-UHFFFAOYSA-N 469.933 2.142 30 10 JEEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OCc2ccccc2)CC1 1722553883 AQERDYNGFNBREB-SFHVURJKSA-N 479.990 2.392 30 10 JEEE C=C1CCN(c2nnc(Cc3csc(C)n3)n2CCS(=O)(=O)N2CCSCC2)CC1 1722566915 CYXAGZDAHVLHNY-UHFFFAOYSA-N 468.674 2.169 30 10 JEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](O)(c2ccc(C)cc2)C1 1722603973 RFKVVAXVJLNEGN-URXFXBBRSA-N 489.642 2.374 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1722695691 MLFBYYGDWRCKPP-KRWDZBQOSA-N 464.492 2.315 30 10 JEEE C=CCNC(=O)Cn1c(N2C[C@H](C)O[C@H](c3ccccc3)C2)nnc1[C@@]1(OCC)CCOC1 1722703728 FWHNRJONHJJGTH-VAXXYWNWSA-N 455.559 2.199 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(Cc3csc(C)n3)n2CCN2CCN(C)C(C)(C)C2)C1 1722720078 GGKPAKBQQNYCEH-HXUWFJFHSA-N 459.664 2.441 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)c1ccccc1C 1722728964 URTIRXOYFJMVDO-QZTJIDSGSA-N 466.629 2.287 30 10 JEEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1722743522 CVYADNWZDGGXFB-WCIQWLHISA-N 451.637 2.078 30 10 JEEE CC(C)n1nc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCNC(=O)C(C)(C)C)c2ccccc2c1=O 1723554658 CGVSUSBRVQKJPA-QGZVFWFLSA-N 492.584 2.127 30 10 JEEE C[C@H]1C[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)C[C@@H](C)O1 1726477494 HACQHEKCHKUSRZ-GNBUJSLZSA-N 472.615 2.490 30 10 JEEE CN(C)S(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CCC(CC#N)CC1 1729344360 DFOOAVCKVUZCDF-UHFFFAOYSA-N 450.540 2.018 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1CCNC(=O)c1cc[nH]n1 1740557923 RTCHNTOKVPYJOT-CQSZACIVSA-N 472.347 2.231 30 10 JEEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCN1C[C@H](C)O[C@@H](C)C1 1740608556 HAYZCGYAJCUIFT-OALUTQOASA-N 463.586 2.244 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1ccc(C(C)(C)O)cc1)[C@@H]1CCS(=O)(=O)C1 1740620907 HQZRKXTWTJERSG-HXUWFJFHSA-N 465.579 2.243 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CCOc1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 1740625828 QODYJJSYBUXEEN-NRFANRHFSA-N 465.579 2.278 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1Cc1ncccc1C)[C@@H]1CCS(=O)(=O)C1 1740626031 RKONZQPAMAMGID-HXUWFJFHSA-N 465.579 2.256 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CCN(C)C(=O)OC(C)(C)C 1740653490 NZKYVJYTOQVCRV-UHFFFAOYSA-N 454.531 2.336 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@]2(OCC)CCOC2)n1Cc1nncn1CC 1740677071 DRGOCJFRNXYKPZ-HSZRJFAPSA-N 453.522 2.369 30 10 JEEE C#CCN1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCCOCCOC)CC1 1740696143 MZQGXKRZUYGGTB-UHFFFAOYSA-N 490.649 2.201 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCNC(=O)C(C)C 1740730323 WFLJPNUSXRRWSQ-RUZDIDTESA-N 461.570 2.346 30 10 JEEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(OCCCOC)CC1 1740744425 AWAGTWJBFFIROK-HNNXBMFYSA-N 477.425 2.111 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1740756895 LLUKRNNPFBRPLY-DYXWJJEUSA-N 458.607 2.294 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1740767205 NFTLSGZOBGRVAG-KNQAVFIVSA-N 455.559 2.464 30 10 JEEE C=CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1740881127 XXNNONDFASGSSB-FPOVZHCZSA-N 454.575 2.394 30 10 JEEE C=CCn1c([C@H]2CCCOC2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)C2(CCS(=O)(=O)CC2)C1 1740947095 OKTPICJXKYNGFE-ZWKOTPCHSA-N 495.646 2.266 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1740954641 QFCLRPJVLUGFNL-NRFANRHFSA-N 473.375 2.177 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2(S(C)(=O)=O)CCCC2)C1 1740983830 QPEZVYCLGURRDM-IBGZPJMESA-N 462.620 2.278 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCS(=O)CC1 1740987304 DMJIPHCAEXQYSQ-UHFFFAOYSA-N 487.445 2.186 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1740995101 ZZJJQIPCHDAFTE-AWEZNQCLSA-N 492.593 2.307 30 10 JEEE COc1ccc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCNS(C)(=O)=O)cc1Br 1748636689 CDGAUMRUINFOSP-IBGZPJMESA-N 497.419 2.395 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2CCN2CCOC(C)(C)C2)c1 1748692996 VATCUXICDFBKMA-NRFANRHFSA-N 480.613 2.339 30 10 JEEE C#CCN(c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@](C)(O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1748808742 MQCFLAHMXDCHSC-DVECYGJZSA-N 482.610 2.369 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1CC(F)(F)CNC(=O)OC(C)(C)C 1748874991 HEFLVGOYVPQVJM-UHFFFAOYSA-N 452.506 2.039 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](C(C)C)N1CCOCC1 1748944625 ANKCSYWAECKXAZ-YADHBBJMSA-N 468.577 2.365 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCCCC1 1748964634 LGKSKVCIYRILHT-HXUWFJFHSA-N 476.622 2.158 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCc2ccc(OC)c(OCC)c2)CC1 1748991239 UERQTWTZCSFXTO-HXUWFJFHSA-N 466.586 2.025 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CCCC(=O)N(C)C)CC1 1749003579 NSPZDGUZTQVVDZ-UHFFFAOYSA-N 488.596 2.169 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2CCCN2C[C@@H](C)O[C@H](C)C2)CC1 1749005951 CDMKGGLRFAEBIL-NHCUHLMSSA-N 494.640 2.419 30 10 JEEE C#CCSCCn1c(COc2ccccc2CC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1749047537 YPQAPHUILOTBAX-IBGZPJMESA-N 482.610 2.259 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC(CNC(C)=O)CC2)nnc1[C@@]1(OCC)CCOC1 1749140371 OLDYBWKHJPWBQE-ZFGGDYGUSA-N 461.607 2.264 30 10 JEEE C=C(C)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 1749183044 MFJUPPBUIFKCKC-UHFFFAOYSA-N 463.604 2.407 30 10 JEEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1749354054 HUXULSZGKKFNBU-KRWDZBQOSA-N 475.619 2.293 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCCC[C@H](SCC)C1 1749657626 CRTZDJZEMQPWPU-IBGZPJMESA-N 467.603 2.335 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCN(c2nc(CC)ns2)CC1 1749672257 UXADIEVAFYTNLM-UHFFFAOYSA-N 466.615 2.220 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2nc(C(C)(C)C)cs2)C1 1749698142 QRAKRJHXAJVLDD-GJZGRUSLSA-N 468.649 2.472 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCN1CCC(C)CC1 1760101832 BQCSVKONUDSBLZ-IBGZPJMESA-N 458.632 2.385 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1CC1CCN(CCC)CC1)[C@H]1CCS(=O)(=O)C1 1760184566 KCPVMARSJBWPHK-FQEVSTJZSA-N 458.632 2.032 30 10 JEEE C#CCN(c1nnc(COCC)n1Cc1ccsc1Br)[C@@H]1CCS(=O)(=O)C1 1760192272 HGXKMXSHRRBCKO-CQSZACIVSA-N 473.418 2.314 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1 1760209813 IBBHOGSBEVZQHT-HSALFYBXSA-N 462.664 2.108 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC2CCN(C(C)=O)CC2)CC1 1760263753 NSJYCCQRBXKUKB-SZPZYZBQSA-N 499.660 2.063 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H]2CCCSC2)CC1 1760265785 JFPCSRUKQPUEQO-YADARESESA-N 475.659 2.428 30 10 JEEE C#CCSCCn1c(-c2ccc(C)o2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1760276909 SUSYKSVDCNZDFW-UHFFFAOYSA-N 450.572 2.453 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2ncc(F)cn2)CC1 1760313734 PPKJCKXVFSEONN-FXAWDEMLSA-N 486.596 2.433 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2c(c1)COC2 1760337021 LYYVGJLGZUEKLA-FQEVSTJZSA-N 461.588 2.092 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C(=O)NCC)CC1 1760516272 KETJGSZXLVTDFG-LJQANCHMSA-N 469.590 2.189 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@H](C)O[C@H](CC)C1 1760517415 LQQUDILEYKMEQU-DOTOQJQBSA-N 459.547 2.277 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](c2ccccc2C)C1 1760547223 GSRMGPOZHUPOLF-IBGZPJMESA-N 457.600 2.417 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(F)(F)C1 1760554548 GYDXQDPFNIFGOF-OAHLLOKOSA-N 491.561 2.033 30 10 JEEE C=CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1760561960 RVKZRLDPUAXEPE-UHFFFAOYSA-N 451.618 2.345 30 10 JEEE C=CCSCCn1c([C@H]2CCCO2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1760568745 RJQURIISRYXCCU-SESVDKBCSA-N 462.664 2.428 30 10 JEEE CNC(=O)c1cccc(Cn2c(CC(C)C)nnc2N2CCN(c3nccnc3C#N)C[C@H]2C)c1 1767641265 CUNXSMZPASAUBI-GOSISDBHSA-N 473.585 2.261 30 10 JEEE C=CCNC(=O)[C@@H]1C[C@H](O)CN1C(=O)c1ccc2nc(-c3cc(OC)c(OC)c(OC)c3)[nH]c2c1 1861424067 BQHUZDGRJCEEPR-LPHOPBHVSA-N 480.521 2.133 30 10 JEEE C=CCn1cc(OCC(=O)Nc2sc3c(c2C#N)CCC3)c(=O)cc1CN1CCN(C(C)=O)CC1 1870324518 NQTJHNRHXAJGNX-UHFFFAOYSA-N 495.605 2.138 30 10 JEEE C=CCOc1cn(CCN2C(=O)CSC2=O)c(CNc2ccc(N3CCN(C)CC3)cc2)cc1=O 1870815920 IQDCDJPBLLEDEZ-UHFFFAOYSA-N 497.621 2.472 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)COc2nonc2C(=O)N(C)Cc2ccccc2)nc1C 1872679079 XNIFLNGPRXZBCX-UHFFFAOYSA-N 471.495 2.467 30 10 JEEE COc1ccc(CCc2nnc(SCC(N)=O)n2/N=C/c2ccc(O)c([N+](=O)[O-])c2)cc1 1874306807 QAIOUOGEHHMDFE-SSDVNMTOSA-N 456.484 2.145 30 10 JEEE CC(C)N1C(=O)CS[C@H](C(=O)NCc2nnnn2-c2ccccc2)[C@H]1c1ccc(C#N)cc1 1891717595 MJBQXSJZCRFTCX-YADHBBJMSA-N 461.551 2.244 30 10 JEEE N#Cc1ncccc1OC1CN(C(=O)[C@H](Cc2ccccc2)NC(=O)COc2ccccc2)C1 1891755858 DPLZNTBUWAFTHT-QFIPXVFZSA-N 456.502 2.349 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H](O)CCC(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)cs1 2256617195 HXIRODBBTDAFTH-HNNXBMFYSA-N 454.398 2.329 30 10 JEEE CN(C(=O)OC(C)(C)C)C1(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)CCCC1 2256621384 UJFBBUYCGYXFBV-UHFFFAOYSA-N 452.386 2.377 30 10 JEEE CC(C)(C)OC(=O)N1CC(O)(C(F)(F)C(=O)N[C@H]2CCC=C2B2OC(C)(C)C(C)(C)O2)C1 2268629973 DYNFHPTZEDSJKC-AWEZNQCLSA-N 458.311 2.440 30 10 JEEE CN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1)[C@@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C 2281959707 PQBBRJNGDANTOV-NVXWUHKLSA-N 462.400 2.485 30 10 JEEE Cc1c(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281991337 YSWOHCGFVFUIDQ-UHFFFAOYSA-N 462.400 2.499 30 10 JEEE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1N(C)C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2282015879 PUWUKKLTLJMWTQ-WBVHZDCISA-N 460.384 2.493 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@]23CC[C@@H]2CN(C(=O)OC(C)(C)C)C3)n1 2282040710 MOUZEDMSLGBYRK-IQMFZBJNSA-N 460.384 2.096 30 10 JEEE CN(Cc1ccccc1)[C@@H]1CCCN(S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)C1 2282426043 XGWILHSAPNRVQA-LJQANCHMSA-N 474.436 2.004 30 10 JEEE Cc1cccc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H](O)C2)c1B1OC(C)(C)C(C)(C)O1 2282648912 UBYJICUINLTUMU-KRWDZBQOSA-N 460.380 2.348 30 10 JEEE Cc1cnc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)c(B2OC(C)(C)C(C)(C)O2)c1 2282656816 JHJCVCMYZGHCNX-MRXNPFEDSA-N 456.352 2.274 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1C[C@H]2[C@@H](C1)OCCN2Cc1ccccc1 2282683075 YDXCDOFLKPJURJ-FCHUYYIVSA-N 451.376 2.050 30 10 JEEE CC[C@@H](CN(CC)S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2282838897 WENGHVWEDIOTAU-HNNXBMFYSA-N 486.444 2.033 30 10 JEEE CC(C)(C)OC(=O)N[C@]12C[C@H]1CN(C(=O)c1cc(B3OC(C)(C)C(C)(C)O3)c(O)cc1O)C2 2282913868 WQEDIFHKHZSKRG-NPMABZOXSA-N 460.336 2.136 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)N1CCc2sc(B3OC(C)(C)C(C)(C)O3)cc2C1 2283971030 NVRMSFQFAYPNFR-HOTGVXAUSA-N 478.420 2.302 30 10 JEEE Cn1ncc(CNC(=O)OC(C)(C)C)c1C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2283976996 KQXPAYJHUMDNGH-UHFFFAOYSA-N 457.340 2.391 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](O)C[C@H]1C(=O)NCc1ccccc1B1OC(C)(C)C(C)(C)O1 2283985988 NVHPVSFPUWLBKP-HKUYNNGSSA-N 460.380 2.362 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@H]2C[C@@H](NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)sn3)C[C@H]21 2369090808 VHMFTKGSMNTGEI-NUEKZKHPSA-N 479.408 2.339 30 10 JEEE COc1cc(-c2cc(C(=O)NCC#CCOc3ccccc3C(N)=O)[nH]n2)cc(OC)c1OC 90743874 FZGBLLXZSJLOJE-UHFFFAOYSA-N 464.478 2.014 30 10 JEEE N#CC1(NC(=O)COC(=O)/C=C\c2ccc(S(=O)(=O)NCc3ccco3)cc2)CCCC1 97656598 YLTZWKWWNPIBPH-YFHOEESVSA-N 457.508 2.267 30 10 JEEE Cc1ccc([C@H]2/C(=C(/O)c3c(C)nc4ccccn34)C(=O)C(=O)N2CCN2CCOCC2)o1 102505544 AWXUBEZCPZXQDZ-NNWMPZTLSA-N 450.495 2.298 30 10 JEEE CN(C)S(=O)(=O)c1ccc(I)c(C(=O)NCc2ccc(C#N)cc2F)c1 729833008 YVBAURUZKMHFCU-UHFFFAOYSA-N 487.294 2.482 30 10 JEEE CCOc1ccc(C=NNc2nnc(SCC(=O)Nc3cccc([N+](=O)[O-])c3)n2N)cc1 1084133218 LLRNWKKVZOIGBF-UHFFFAOYSA-N 456.488 2.476 30 10 JEEE C#CCN(C(=O)c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O)[C@@H]1CCS(=O)(=O)C1 1125953221 CFZKVYVPYRXCFM-OAHLLOKOSA-N 456.907 2.403 30 10 JEEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CCN(S(=O)(=O)NC(C)C)CC2)s1 1161432765 AMSKEZULZGYCNP-UHFFFAOYSA-N 453.055 2.226 30 10 JEEE CC(=O)NCc1ccc(S(=O)(=O)NC(=O)CSc2nc3c(cc2C#N)CCCC3)cc1 1188564333 FZXIKPXQELUPML-UHFFFAOYSA-N 458.565 2.065 30 10 JEEE C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@@H]1C[C@H]2CC[C@H]1C2)[C@H]1CCS(=O)(=O)C1 1286384256 HAGYSJULOSHUKS-HVTWWXFQSA-N 450.605 2.065 30 10 JEEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCC(F)(F)C1)[C@@H]1CCS(=O)(=O)C1 1286393544 FHEOEQQEIRZMPZ-HZPDHXFCSA-N 497.593 2.332 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2cnc(C)s2)CC1 1286547339 OJCJWVWGHZEAQD-ICSRJNTNSA-N 473.647 2.485 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(C)nc3ccccc23)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1286778771 ATCJULXQTKSUEL-KRWDZBQOSA-N 468.583 2.117 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1286821558 PCJIOPWUJIVVEG-UHFFFAOYSA-N 471.505 2.213 30 10 JEEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1286835131 RAKWPJOQGTYIOK-OAQYLSRUSA-N 458.680 2.275 30 10 JEEE CC(=O)N1CCC[C@@H](Cn2c(COc3cc(C)ccc3C)nnc2N2CCO[C@@H](C#N)C2)C1 1286858628 CHDZHGCATGQOJF-RTWAWAEBSA-N 452.559 2.461 30 10 JEEE CC(C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1287100984 ACPWHXQDPJRTEF-UHFFFAOYSA-N 495.628 2.071 30 10 JEEE CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1295083357 FGFYLGPYZCCQEB-PBHICJAKSA-N 466.464 2.363 30 10 JEEE CCn1nc(-c2nnc(N(C)[C@H](C)CC#N)n2CC2(CS(C)(=O)=O)CC2)c2ccccc2c1=O 1296213379 IFEITWDKRBPQJR-MRXNPFEDSA-N 483.598 2.238 30 10 JEEE C#CC[C@H](CO)NC(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1I 1298689312 HXHDDAKBEARLMF-DOMZBBRYSA-N 458.296 2.357 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC[C@H](OC)C(F)(F)F 1300515859 BYRUVBFZRWQZOM-KRWDZBQOSA-N 454.474 2.389 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C1CC1)N(C)C 1300578799 PFIZIIONAJVULD-SFTDATJTSA-N 470.618 2.390 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnn(C)c3)n2Cc2ccc(Cl)nc2)n1 1300681478 QZZDITSIDLEGDM-UHFFFAOYSA-N 465.949 2.258 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2c(F)cc(F)c(F)c2F)CC1 1300685937 VLKPYFGVVZZEJN-QFIPXVFZSA-N 467.467 2.290 30 10 JEEE C#CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@](F)(C#N)C1 1300762072 GXDWGBKKZRMYGI-IIBYNOLFSA-N 464.567 2.395 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1ccc(C)c(F)c1 1300806498 XEVCRRHGBQAGLB-FDDCHVKYSA-N 473.574 2.050 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1300870960 AUBBLSDSUPUQOJ-GIVPXCGWSA-N 482.585 2.080 30 10 JEEE C=C(C)COCCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1300980391 ICAPBHCZKUYNKH-UHFFFAOYSA-N 477.587 2.127 30 10 JEEE C=C(C)COCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCC(C(N)=O)CC1 1300991759 QPCXREOJIGHGEI-UHFFFAOYSA-N 479.585 2.359 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccn(C)n1 1301337527 HWFPQHJUHHJNJS-GOSISDBHSA-N 456.572 2.163 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCC(N2CCCCC2=O)CC1 1301492024 VKQGSUBXILXVCF-UHFFFAOYSA-N 452.559 2.237 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCCN(C(=O)c2cccc(Cl)c2)CC1 1301500633 OAMMLGSEVPBHSI-IBGZPJMESA-N 487.004 2.480 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCN2C(=O)CC[C@@H]2C1 1301568270 FOSKRYYAOQSNAH-WOJBJXKFSA-N 487.626 2.447 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1301576976 CUZCBWLGIUIRJA-UHFFFAOYSA-N 463.579 2.380 30 10 JEEE CCS(=O)(=O)CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)C[C@@H](C)C#N 1314534727 HPJIXUWMXZAPHG-IRXDYDNUSA-N 468.624 2.423 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCNC(=O)C(C)(C)C 1358994103 FDGCFQKMSJCGBN-IBGZPJMESA-N 486.617 2.212 30 10 JEEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(-c2n[nH]c(C)n2)cc1 1359026804 KZZBIEIBWXFVRN-UHFFFAOYSA-N 459.558 2.368 30 10 JEEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(=O)Nc2ccccc2)CC1 1359117080 CFYMQCMPVPWGOF-INIZCTEOSA-N 461.592 2.255 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2ccsc2)CC1 1359133306 OTFIBFCAHBPNLT-IBGZPJMESA-N 465.645 2.157 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1359294960 KOZPBGUHXVYIPT-UHFFFAOYSA-N 451.531 2.176 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CCC#N)CC1CC1 1359300939 NGPKOJRMQDCYGU-GOSISDBHSA-N 473.578 2.019 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCCN(C(=O)c2ccc(Cl)cc2)CC1 1359300955 NOHSZNCXDGVERE-SFHVURJKSA-N 472.977 2.090 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC(C)(c2nc(C)no2)CC1 1359332177 QTCHGMLKDJBVRW-QGZVFWFLSA-N 464.592 2.022 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1359332374 WBSLWZVKCQKRKQ-SJORKVTESA-N 467.617 2.116 30 10 JEEE C#CCNC(=O)C1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)CC1 1459465312 LNPPAQUGIBCJLP-UHFFFAOYSA-N 451.976 2.116 30 10 JEEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)CC1 1476214660 PGHGCJVYHLVPEA-UHFFFAOYSA-N 457.487 2.107 30 10 JEEE CC[C@H](C)NC(=O)c1cccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)c1 1496202696 ABHQHUISYBYGBA-BTCOZLQPSA-N 488.589 2.199 30 10 JEEE CCS(=O)(=O)N(C)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@](C)(O)C(C)C)CC1 1503261729 DASIEWPCWPCKAB-HSZRJFAPSA-N 474.631 2.474 30 10 JEEE COc1ccccc1SCc1nnc(N(C)[C@H](C)CC#N)n1CC1(O)CCS(=O)(=O)CC1 1504441767 BNGVGZGQZRGNIP-MRXNPFEDSA-N 479.628 2.257 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H](C(C)C)N1CCOCC1 1507531496 ASTRJYRYVUKHGZ-UGKGYDQZSA-N 477.613 2.490 30 10 JEEE C#CCCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1507580808 LEQRPIIVKMTGSD-UHFFFAOYSA-N 494.596 2.082 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCN1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1507628246 NHQUHESTISFYBM-JOCHJYFZSA-N 466.611 2.175 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCC1(COC)CCCC1)[C@@H]1CCS(=O)(=O)C1 1507633724 UUKPVSXDPUPEIT-WOJBJXKFSA-N 464.632 2.396 30 10 JEEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCN1C[C@H](C)O[C@@H](C)C1 1507669226 JVFFQLXBLLQLFW-GOTSBHOMSA-N 490.656 2.414 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc(Cl)cc3F)n2Cc2nncn2C)n1 1507715673 BDQYFVAVKIXHQB-UHFFFAOYSA-N 483.939 2.397 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@@]2(C)COCCO2)CC1 1507721978 WEHLIAINRIEADO-NRFANRHFSA-N 478.366 2.407 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H](Cc2ccccc2)OC)CC1 1507733050 NMMPRPKJNWGEMS-ZRBLBEILSA-N 453.587 2.015 30 10 JEEE C#CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(C(=O)OCC)CC1 1507752493 ZFMBEQRJTLQUMS-UHFFFAOYSA-N 467.555 2.239 30 10 JEEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCCN(C(=O)C2CC2)CC1 1507778814 HMQFXRSUWCRNPV-OAHLLOKOSA-N 456.385 2.359 30 10 JEEE C=C(C)Cn1c(N2CCN(c3nc(C)cc(OC)n3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1507836228 BPTMCUYKBSNPMD-QHCPKHFHSA-N 457.579 2.328 30 10 JEEE C=C(C)COCCn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1507842084 CDYDKWISVWDZEK-IBGZPJMESA-N 460.604 2.246 30 10 JEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C(C)C 1508059132 LVRQIVLMQSDJHF-GOSISDBHSA-N 464.548 2.120 30 10 JEEE C=CCOc1ccccc1Cn1c(N2CC[C@H](S(C)(=O)=O)C2)nnc1[C@]1(OCC)CCOC1 1508110244 YZFVHTSHUADCRX-CVDCTZTESA-N 476.599 2.167 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)c2c(C)noc2C)C1 1508110835 UWWXNCSCYYACGO-UKPHBRMFSA-N 452.581 2.078 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCCO3)n2CC(C)(C)C(=O)NC)c1 1539042213 CTANLMCRUTXGOM-LJQANCHMSA-N 452.559 2.348 30 10 JEEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](CN2CCOCC2)C1 1539124242 CQWVERNBEPZRAM-RTWAWAEBSA-N 488.633 2.158 30 10 JEEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](CC(N)=O)C1 1539126484 WFOLPNUGVASOBT-ZWKOTPCHSA-N 460.579 2.092 30 10 JEEE C#CCN(CCOC)c1nnc(CNC(=O)c2cccs2)n1CC1CN(C(=O)OC(C)(C)C)C1 1539420534 GXFUWJKGLLHVGA-UHFFFAOYSA-N 488.614 2.223 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3noc4c3COCC4)n2CC(=C)Cl)n1 1539424904 XXRCRYDHLQGEDG-UHFFFAOYSA-N 457.922 2.241 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2Cc2ccc(CS(C)(=O)=O)cc2)CC1 1539468936 KHFZWGSNJPBLEZ-GOSISDBHSA-N 471.627 2.350 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2Cc2ncnn2C(C)(C)C)CC1 1539475374 DHOOXIRABOISFY-UHFFFAOYSA-N 476.585 2.314 30 10 JEEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1539513518 KMIPIPCAJNFGEC-FQEVSTJZSA-N 454.600 2.312 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2OC)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1539558151 BUAQMJBJWOLTBQ-WZONZLPQSA-N 457.600 2.151 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CCO[C@H](CNC(C)=O)C1 1539620076 JAFNNGZSDGUTSG-FCEUIQTBSA-N 455.559 2.276 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1539645468 OJXLJUNRTFIKGU-DFQSSKMNSA-N 467.636 2.361 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1540875255 FVVHRYQEANDQCG-PKOBYXMFSA-N 454.600 2.238 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N(C)Cc1cnn(C)c1 1540898288 FXVKXGLZKPLMOD-UHFFFAOYSA-N 482.408 2.017 30 10 JEEE CNC(=O)[C@@H]1CN(C(=O)c2ncccn2)CC12CCN(c1ccc(C#N)c(C(F)(F)F)c1)CC2 1548375637 SCGDRTAXDXCKSQ-SFHVURJKSA-N 472.471 2.472 30 10 JEEE CNC(=O)CCn1c(CSc2ccc(C)cc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1554489552 CRPNRAFLHNBXFY-SFHVURJKSA-N 491.625 2.392 30 10 JEEE C[S@](=O)C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)c1ccccc1 1565736018 CLYBULPBWYGIRJ-JRPXNJEYSA-N 459.593 2.195 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2nc3cc(Br)cnc3[nH]2)s1 1569491479 TZLZXTHDUXMUKX-UHFFFAOYSA-N 456.347 2.427 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(c2ccc(F)cc2)CCOCC1 1587561729 HLSWZKVWKHMDHD-SJORKVTESA-N 463.579 2.234 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H](C)Oc1ccccc1OC)[C@H]1CCS(=O)(=O)C1 1588054013 JVDWFNNDKMSPCL-AQNXPRMDSA-N 488.610 2.275 30 10 JEEE C#CCN(c1nnc(C2CCCC2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1588054913 PWYSYMUSHMYTHB-SVFBPWRDSA-N 477.675 2.450 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CCCc1c[nH]nc1C)[C@H]1CCS(=O)(=O)C1 1588069295 LCWWVBLIYRDDGB-NRFANRHFSA-N 493.593 2.020 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(NC(=O)c2ccco2)cc1 1588180122 BLGORKCSKYMIJU-GOSISDBHSA-N 494.577 2.245 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2CCn2cc(C)cn2)CC1 1588968313 HXKNISOCNVXERT-UHFFFAOYSA-N 465.533 2.167 30 10 JEEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1595335549 VQBKHAKHWDIXNF-UHFFFAOYSA-N 486.642 2.059 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1595506614 HFVANNYAPLMONS-PKOBYXMFSA-N 461.950 2.294 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 1595537639 UYBISVBQKQENTM-RXVVDRJESA-N 472.977 2.135 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCNC(=O)c2ccc(C)c(F)c2)C1 1595664783 JTBUGWGXMLRQDD-GOSISDBHSA-N 458.538 2.075 30 10 JEEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1cn2ccsc2n1 1611633524 HLRAZJVTQVKUBK-AWEZNQCLSA-N 455.569 2.444 30 10 JEEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)N2CCSCC2)C[C@@H]1C 1612916693 FISIJYSYPQJYIY-CALCHBBNSA-N 460.629 2.288 30 10 JEEE COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(F)ccc1SC 1619912550 GMAQHFXGJJTRJZ-HNNXBMFYSA-N 467.592 2.456 30 10 JEEE CCOC(=O)[C@H](Cc1ccccc1)NCC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 1620477971 BRGDKZPNOCFDIX-GOTSBHOMSA-N 452.530 2.299 30 10 JEEE C=CCc1ccc(OCC(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCN(C)CC2)c(OC)c1 1645145719 ZOIGHEKSWDPAHN-QFIPXVFZSA-N 451.567 2.304 30 10 JEEE C=CCCS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2Cl)CC1 1666003317 WUHDFXCFGPPKOM-UHFFFAOYSA-N 457.799 2.315 30 10 JEEE N#Cc1ccc(N2CCC[C@H](NC(=O)N3CCC(CNC(=O)C(F)(F)F)CC3)C2=O)cc1 1671576043 BNLADMAYFXIKHG-KRWDZBQOSA-N 451.449 2.154 30 10 JEEE C#C[C@@H](NC(=O)NCCCNC(=O)c1cc(OC)ccc1Br)C1CCOCC1 1681377310 DALHEFAEZMQJKJ-GOSISDBHSA-N 452.349 2.305 30 10 JEEE C#CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1(S(C)(=O)=O)CCC1 1689976506 MKZUMQHIFQCOPM-INIZCTEOSA-N 451.593 2.387 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCN(C)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 1689990227 NBXLIYGUDTYFEO-FPOVZHCZSA-N 463.648 2.063 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@H]1OCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1689994104 RDXJXJIJVCZJAH-ZWKOTPCHSA-N 463.629 2.076 30 10 JEEE C#CCN1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CC[C@@H](OC)C(F)(F)F)CC1 1690122191 JQQROWOOVXRUEF-QGZVFWFLSA-N 475.475 2.317 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCOCCCO)CC1 1690139311 HCKPLVNUXUIALW-UHFFFAOYSA-N 463.941 2.102 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCN2CCC[C@@H]2C)CC1 1690139791 AFYQQNJAHSHKNE-KRWDZBQOSA-N 455.994 2.444 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2Cc2ccc(OC)nc2)CC1 1690140019 IVOAMEXMQWEQGJ-UHFFFAOYSA-N 490.564 2.380 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CC(=O)N(C)C)CC1 1690154406 NCHLEPWOOQTOAO-UHFFFAOYSA-N 475.018 2.278 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1690255855 XIBYNNRTLLRJSF-HAGHYFMRSA-N 468.620 2.141 30 10 JEEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1690274808 DVMFZWWOHAXZEV-PMPSAXMXSA-N 456.613 2.204 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCC(NC(=O)c2ccc(C)s2)CC1 1690667899 LQJAMBGHRJFQKS-UHFFFAOYSA-N 453.572 2.344 30 10 JEEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@H](OC(C)(C)C)C1 1690669159 WDSWLCFKYXAYHT-KRWDZBQOSA-N 489.646 2.324 30 10 JEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1690674209 SRIHVDFPSUOSAK-UHFFFAOYSA-N 471.631 2.165 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H]2CCCO2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1690684516 HJNVKERKIZRLAM-AZUAARDMSA-N 461.588 2.261 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC(=O)N(C)[C@H](C)C1 1690715324 IYMRYYHQNDMHST-CVEARBPZSA-N 482.006 2.339 30 10 JEEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCCC[C@@H](C)C1 1690729491 OBGLQEJLHKQNDF-MRXNPFEDSA-N 451.618 2.497 30 10 JEEE CC(C)NC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(C)(F)F)CC1 1692566684 HCOGLDWIGJPBEE-UHFFFAOYSA-N 475.544 2.421 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2CCn2cc(Br)cn2)c1 1705507013 OUXOFVYHTWCOCA-KRWDZBQOSA-N 498.385 2.497 30 10 JEEE C#CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1705511258 NKUIDDFNFYMMAA-INIZCTEOSA-N 474.363 2.312 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](Oc2ccccc2Cl)C1 1705534407 HPZXCVGIGRBPQS-PXNSSMCTSA-N 494.017 2.336 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)N(CC)CC 1705583304 UYQRMTBSIPEVAD-UXHICEINSA-N 458.607 2.390 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2CC(C)(C)N2C[C@H](C)O[C@H](C)C2)CC1 1705647140 BCMOTOZREAXPLU-KDURUIRLSA-N 456.635 2.399 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@H](C)Oc2ccccc2OC)CC1 1705648300 QFKPTNTVQBRLSV-ICSRJNTNSA-N 467.570 2.224 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(CC)CC)n1Cc1cccnc1N1CCOCC1 1705667720 QKDQPVQMTLRXSF-RUZDIDTESA-N 465.602 2.469 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1705935001 DGXIZXSRVADURG-JTHBVZDNSA-N 487.670 2.325 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1705938003 KOJKZWMPPBJSFP-XXBNENTESA-N 476.599 2.151 30 10 JEEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1705948277 NQYDUZDBTXTOSR-UHFFFAOYSA-N 458.563 2.312 30 10 JEEE COc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCCN2C[C@@H](C)O[C@H](C)C2)cc1 1711884842 HSVQNZKXLCPVOL-WOIUINJBSA-N 470.574 2.094 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2csc(CC)n2)c1 1722310405 VMBKUHVRGCRITJ-KRWDZBQOSA-N 498.634 2.304 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1722395242 VSTCAGJRDKMDPA-WIYYLYMNSA-N 453.509 2.277 30 10 JEEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc(NC(N)=O)cc1 1722410274 YLAOVVHVGSPDCA-UHFFFAOYSA-N 466.571 2.237 30 10 JEEE C#CCN(CCOC)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CCCN1C(=O)OC(C)(C)C 1722422401 QTMNMXYWTAVJOA-DVECYGJZSA-N 477.606 2.416 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@H]1CCCS(=O)(=O)C1 1722430786 JKRYRBIPRHFFPH-GOSISDBHSA-N 482.610 2.349 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2CC(=O)N(C)C2CCCCC2)CC1 1722435056 AZBHXIOQGYYBES-UHFFFAOYSA-N 450.587 2.500 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1CC1(C(N)=O)CCOCC1 1722512464 HNYZDWJSUFEYMW-UHFFFAOYSA-N 451.531 2.278 30 10 JEEE C=CC[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1)c1ccccc1 1722595085 UANGXMIWGMEDSD-VAMGGRTRSA-N 472.615 2.107 30 10 JEEE C=CCCOCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1722625747 WWBDAXAGZNZLIY-OALUTQOASA-N 451.579 2.432 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](Nc2ccccc2)C1 1722690099 FQKXISLOZBXSPU-LJQANCHMSA-N 460.542 2.309 30 10 JEEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccc(OC)cc2C1 1722738377 IBDDMECFDPCWIY-HXUWFJFHSA-N 493.655 2.102 30 10 JEEE CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCCS(=O)(=O)c1ccccc1 1729064912 DWILVNCZTKSGKM-UHFFFAOYSA-N 495.609 2.272 30 10 JEEE CO[C@@]1(C)CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2cc(CO)nn2)CC1 1729911916 FQMLEGOSAIZMOJ-QHCPKHFHSA-N 450.547 2.386 30 10 JEEE COc1cc(-c2nnc(N(C)[C@H](C)CC#N)n2C[C@@]2(O)CCS(=O)(=O)C2)ccc1OC(C)C 1729961349 FKSSEGVOWUTULF-ZHRRBRCNSA-N 477.587 2.029 30 10 JEEE C#CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1740589123 PLTPCKZNENRXKG-QGZVFWFLSA-N 468.583 2.102 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@@H](SCC)C1 1740591883 QSSKPSIHHPPQRE-MSOLQXFVSA-N 455.650 2.136 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCc1ccccn1)[C@@H]1CCS(=O)(=O)C1 1740619289 NHZHIRABQWHZDS-HXUWFJFHSA-N 466.523 2.118 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCCN(C)c2ccccc2F)CC1 1740700921 NEMHYERFUNWRBD-UHFFFAOYSA-N 483.592 2.048 30 10 JEEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCN([C@@H](C)c2nc(CC)no2)CC1 1740719887 UAVYFEHEMLJHCN-SFHVURJKSA-N 466.615 2.459 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc(-c2cnccn2)n1C[C@H]1CCCN1S(C)(=O)=O 1740918343 IKAHDVOUOWOWKL-LJQANCHMSA-N 453.572 2.352 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1740953753 PSRWTXQPLDMZQE-GOSISDBHSA-N 454.575 2.387 30 10 JEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1740963711 UPMUNKTZSRQMOW-RTBURBONSA-N 486.621 2.181 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC(=O)N(C)C[C@H]1C 1740971045 SREANWWMHUVZSR-LZNRXBQRSA-N 455.559 2.282 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@]1(C)CN(C)C1=O)[C@H]1CCS(=O)(=O)C1 1748807728 BXISQGGMVGRYKM-YCRPNKLZSA-N 496.420 2.357 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1748823852 DANRHZQKJBFEJY-ROUUACIJSA-N 495.646 2.138 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccccc1CN1CCC[C@@H]1CO 1748824883 LRSWGHCJLYDOJR-HSZRJFAPSA-N 483.576 2.003 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC[C@H]1CCCN1C(=O)OC(C)(C)C 1748846559 IXPGJPBAFXDDPR-VQTJNVASSA-N 489.642 2.433 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2Cc2ccc(OC)nc2OC)CC1 1749003549 MUDRLPAGGRJHRR-UHFFFAOYSA-N 490.564 2.380 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOc2ncccc2F)CC1 1749010513 LXLRUWZVUZZIGD-UHFFFAOYSA-N 473.512 2.396 30 10 JEEE COCC1(Cn2c(COc3ccc(OC)cc3)nnc2N2CCO[C@H](C#N)C2)CCOCC1 1749420150 BREJRVVJWRXBMY-HXUWFJFHSA-N 457.531 2.038 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 1749668738 DNHVCSBRSIIRIS-HOTGVXAUSA-N 460.604 2.416 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCC(Cn2ccnn2)CC1 1749729339 HDQQPFPDGWZWDZ-UHFFFAOYSA-N 455.588 2.362 30 10 JEEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1749755915 NYCRMZDICRADAV-RBSFLKMASA-N 483.582 2.165 30 10 JEEE CC[C@H](C)[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1752550959 GZKYRSALAVJPNC-UQBPGWFLSA-N 467.618 2.260 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Cl)cc2)n1CCN/C(O)=C1/N=CC=CC1=O 1760124478 SHLIVFWTQASAOD-MSVBSMQLSA-N 454.918 2.495 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2C[C@H]2CCCS(=O)(=O)C2)c1 1760127956 SDSUUNBHPBWACY-OAQYLSRUSA-N 492.605 2.145 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1Cc1cc(F)ccc1OC)[C@H]1CCS(=O)(=O)C1 1760189964 MRIPPYSPAHDMLG-IBGZPJMESA-N 489.598 2.457 30 10 JEEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1C[C@H](c1cccc(C)c1)N1CCOCC1 1760196131 LAJSIVXORYYIRY-SQHAQQRYSA-N 477.609 2.385 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CCc2nc3c(s2)CCCC3)CC1 1760273208 LFVQPJLWRNPNBO-UHFFFAOYSA-N 456.616 2.358 30 10 JEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 1760356911 ZLGAVBQPFHYMOR-QFBILLFUSA-N 461.588 2.423 30 10 JEEE C=C(Cl)Cn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)N(C)C2CCCCC2)CC1 1760372281 DHFJSJOVBARBCK-UHFFFAOYSA-N 461.014 2.344 30 10 JEEE C=CCCOCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(C(C)C)CC1 1760449235 DZPNTBGONJJYJU-UHFFFAOYSA-N 451.575 2.315 30 10 JEEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN([C@@H](C)c2nc(CC)no2)CC1 1760507537 MGASVXHOZXXISQ-INIZCTEOSA-N 471.587 2.363 30 10 JEEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 1760523526 BAXSYPZSAWXKCZ-SIKLNZKXSA-N 454.623 2.491 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1760525047 RPWXHSSUCMIRJT-RBBKRZOGSA-N 452.603 2.027 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@@H](COc2ccccc2)C1 1760555728 LNPRCWUJRPTCHD-RTWAWAEBSA-N 476.599 2.405 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@@H]1CC[C@@H](F)C1 1761498315 DGQYPCNGDVGXEO-IOMROCGXSA-N 489.621 2.220 30 10 JEEE COC[C@@H]1CCCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2cc(CO)nn2)C1 1769398946 GJPSCWXZHFSRSY-LJQANCHMSA-N 450.547 2.244 30 10 JEEE CN(c1ccc(NC(=O)c2cccc(C#N)c2)cn1)S(=O)(=O)c1ccc2c(c1)oc(=O)n2C 1858257671 TVQHNRAQDCECQD-UHFFFAOYSA-N 463.475 2.476 30 10 JEEE COc1cc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCCNC=O)cc(OC)c1O 1862681373 YUOSFQZBYVHTKO-LJQANCHMSA-N 458.442 2.263 30 10 JEEE O=C(C1=C(O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccccc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 1862754177 FSYLPIPNNCXHSU-FQEVSTJZSA-N 482.449 2.414 30 10 JEEE COc1ccc(-n2nnc(C#N)c2NC(=O)c2ccc(N3C[C@@H](C(=O)O)CC3=O)cc2)c(C)c1 1870151550 ZHMSFAUBHVLMCO-HNNXBMFYSA-N 460.450 2.146 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)Nc2cccc(OC)c2)cn1CCN1CCOCC1 1870652487 ZMVOOHLRKBZOOH-UHFFFAOYSA-N 496.608 2.381 30 10 JEEE CCCNC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1ccc(O)c(OC)c1 1874337601 JJXVVMDLQBXUAI-PZLKWIMZSA-N 474.587 2.217 30 10 JEEE CC(C)(C)OC(=O)N1CCN(CC(=O)NCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CC1 2185162093 WJBTVJHOEXKDER-UHFFFAOYSA-N 459.396 2.155 30 10 JEEE Cc1cnc(NC2(C(N)=O)CCN(C(=O)OC(C)(C)C)CC2)c(B2OC(C)(C)C(C)(C)O2)c1 2241052752 VUDMSNMEGOGESQ-UHFFFAOYSA-N 460.384 2.356 30 10 JEEE CC1(C)OB(c2csc(S(=O)(=O)NC3CN(C(=O)OCc4ccccc4)C3)c2)OC1(C)C 2243411891 CDZLZNYWDZFIFS-UHFFFAOYSA-N 478.401 2.347 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N[C@@H](CCCNC(=O)OC(C)(C)C)C(=O)O)C1 2255158142 BDAJRBGEPHSVFP-HVPFBLEYSA-N 453.536 2.167 30 10 JEEE CC1(C)OB(c2n[nH]cc2C(=O)N2CC3(CC(NC(=O)OCc4ccccc4)C3)C2)OC1(C)C 2255617709 DUWHPPXZEMYOQK-UHFFFAOYSA-N 466.347 2.240 30 10 JEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H](CO)CNC(=O)OC(C)(C)C)c1C 2255634821 BZNCIMNNJZRAGC-AWEZNQCLSA-N 454.398 2.280 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CC1(F)F 2267099797 NTXDKTHOXWDVGM-ZDUSSCGKSA-N 456.299 2.083 30 10 JEEE Cc1nn(C)c(C(=O)N[C@H](C)C(C)(C)NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267142676 XLLZJJDDHFQFFZ-CQSZACIVSA-N 450.389 2.449 30 10 JEEE CC(C)CN(CCNC(=O)OC(C)(C)C)C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2267182333 FJNGSXKBDZBJJT-UHFFFAOYSA-N 450.389 2.342 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@](F)(CNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2267195028 UJFDOYXJWOOCCK-IPVJXJPOSA-N 452.336 2.082 30 10 JEEE C[C@H](CCCN(C)C(=O)OC(C)(C)C)NC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2267502493 OQCUKXOXTBFVLD-OAHLLOKOSA-N 450.389 2.485 30 10 JEEE CC(C)(C)OC(=O)NC[C@@](C)(CC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)C(F)F 2268652889 JGKHWSLVYOUQNT-LJQANCHMSA-N 476.355 2.384 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](O)CN(C(=O)c2cccc(F)c2B2OC(C)(C)C(C)(C)O2)C1 2281763122 LUNHPUQIKQPALA-CABCVRRESA-N 464.343 2.225 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]2C[C@@H]12 2281998450 PABHRIRKNWLQTK-ARFHVFGLSA-N 460.384 2.155 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)CCO2)n1 2282041296 VCBZNFHOWMPOOI-INIZCTEOSA-N 461.368 2.055 30 10 JEEE CC(C)(C)OC(=O)N1CC(c2n[nH]c(NC(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)o3)n2)C1 2282193752 PTQWGYFEAFEGAW-UHFFFAOYSA-N 459.312 2.284 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](NC(=O)c2ccc(F)cc2B2OC(C)(C)C(C)(C)O2)C1 2282405875 CDCUKFFYHCMLCJ-ZWKOTPCHSA-N 464.343 2.225 30 10 JEEE CN(C(=O)c1nn(C)c(Cl)c1B1OC(C)(C)C(C)(C)O1)C1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 2282543972 MIRHFROHYBYXCB-STQMWFEESA-N 480.802 2.310 30 10 JEEE C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)CCN1C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2282551036 GXWFNEINESPSNA-HZPDHXFCSA-N 462.400 2.485 30 10 JEEE Cn1cc(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 2282553889 VOFGHSRPVSRGDG-ZMSDIMECSA-N 460.384 2.095 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H]2COC[C@@H](C1)N2C(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2282610324 VAKMVZDPFVTBGS-LSDHHAIUSA-N 479.408 2.293 30 10 JEEE CO[C@@H]1[C@H](OC)CN(C(=O)OC(C)(C)C)[C@H]1C(=O)N1CCC(=CB2OC(C)(C)C(C)(C)O2)C1 2284039970 LXYDZVHUJUUMBD-KZNAEPCWSA-N 466.384 2.426 30 10 JEEE C[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C1(O)CCC1)c1nscc1B1OC(C)(C)C(C)(C)O1 2284068335 CIRVIBBQDZIVFO-XJKSGUPXSA-N 481.424 2.428 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N1C[C@@H](NC(=O)C(F)(F)F)CC[C@H]1C 2285200944 SQWMBBCTIYJAHO-HIFRSBDPSA-N 455.286 2.361 30 10 JEEE CC1(C)OB(c2cccc(S(=O)(=O)N3CCC[C@H](NC(=O)C(F)(F)F)CC3)c2)OC1(C)C 2286110593 AJJHEWCNOMKDIP-HNNXBMFYSA-N 476.326 2.208 30 10 JEEE COc1cc([C@H]2C(=C(O)c3ccncc3)C(=O)C(=O)N2CCCN(C)C)cc(OC)c1OC 2296088638 IZCBLOXLAIIALO-FQEVSTJZSA-N 455.511 2.481 30 10 JEEE COc1cc(C=Nn2c(SCCCO)nnc2[C@H]2CC(=O)N(C(C)C)C2)cc(OC)c1OC 2329045230 IKDSZHZNOOYVGA-INIZCTEOSA-N 477.587 2.385 30 10 JEEE C[C@@H](CCN(C)C(=O)OC(C)(C)C)N(C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2337303103 CZNZMEOLUXBSAL-HNNXBMFYSA-N 450.389 2.437 30 10 JEEE CC(C)(C)OC(=O)N1[C@H]2CCO[C@H]2C[C@@H]1C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2358276452 ZYPRNZXOMXWROV-BBWFWOEESA-N 459.352 2.486 30 10 JEEE COc1ccc(-n2c(=O)/c(=C\c3cnn(C)c3)s/c2=C(/C#N)C(=O)c2ccccc2F)cc1 12978287 UNARBQRVOHIWIC-FBKOEAQLSA-N 460.490 2.166 30 10 JEEE N#Cc1cccnc1N1CCN(C(=O)[C@H]2CC(=O)N(c3cccc(Br)c3)C2)CC1 497872410 CXJGIHFAXHOXPZ-INIZCTEOSA-N 454.328 2.417 30 10 JEEE COC(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)OC 504589054 XWFDREYZNGAQBP-UJYHAVSKSA-N 491.625 2.389 30 10 JEEE CCN1C(=O)COc2ccc(C(=O)C[S@@](=O)CC(=O)Nc3sc4c(c3C#N)CCC4)cc21 586298158 IKSQLJJYKWFWFZ-JGCGQSQUSA-N 471.560 2.424 30 10 JEEE C#CCN(C(=O)c1cc(S(=O)(=O)N2c3ccccc3C[C@@H]2C)ccc1F)[C@@H]1CCS(=O)(=O)C1 729333579 ZGOLTHKGOKCZSE-FUHWJXTLSA-N 490.578 2.228 30 10 JEEE CCCCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CCc1cccs1 729672934 PCUGNXVUUOCCKO-UHFFFAOYSA-N 477.615 2.281 30 10 JEEE COc1ccc(C(C)=NNc2nc(SCC(=O)Nc3ccc4c(c3)C(=O)NC4=O)n[nH]2)cc1 1084128773 WSXXIFMIOZRXCS-UHFFFAOYSA-N 465.495 2.264 30 10 JEEE CCCN(CC(=O)Nc1ccccc1OC)C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 1141374511 GDRYFQJBNWTDIV-INIZCTEOSA-N 458.540 2.111 30 10 JEEE C=CCc1cc(C(=O)N2CCOC[C@]2(CO)CNC(=O)OC(C)(C)C)cc(OC)c1OC 1167024541 OFIMHMGCLYYDGL-HSZRJFAPSA-N 450.532 2.161 30 10 JEEE C#C[C@@H](NC(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F)c1ccc(Br)cc1 1217656444 DLFGZMOWPUTAKA-CHWSQXEVSA-N 456.284 2.245 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@H]1OCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1286388807 VPGIDDJDYAXSAR-LLGFUMIMSA-N 474.583 2.014 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1nnc(C(C)(C)C)s1)[C@H]1CCS(=O)(=O)C1 1286390522 BOMRUERDHHHBFX-KRWDZBQOSA-N 485.639 2.088 30 10 JEEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCc1nnc(C)s1 1286430916 LDASCVUSQIORII-UHFFFAOYSA-N 461.599 2.318 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2Cc2ccc([C@H](C)O)cc2)CC1 1286492843 AVNUNSPUGQPAEA-IBGZPJMESA-N 458.566 2.331 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(COC)cc2)CC1 1286494973 WWXAEJZVEJZQOS-JOCHJYFZSA-N 451.571 2.333 30 10 JEEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1286507368 HVXFGGLEQAXYRM-UHFFFAOYSA-N 462.579 2.298 30 10 JEEE C=C(Br)Cn1c(CC2CCCC2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1286542611 CPVVLHXYJJUBFX-UHFFFAOYSA-N 467.412 2.093 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1286558276 MMDNDFVZZRLZBJ-RDPSFJRHSA-N 470.593 2.199 30 10 JEEE C=C(Cn1c(Cc2ccccn2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1)c1ccccc1 1286618356 ZUEDGBJXVOPCII-UHFFFAOYSA-N 473.581 2.151 30 10 JEEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2c(C)cccc2C1 1286712122 SHVXHIJIEANFQR-OAQYLSRUSA-N 475.615 2.075 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1286783370 PQUGPGTTZCURGW-UHFFFAOYSA-N 486.020 2.035 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCc2c(ccnc2N(C)C)C1 1286792741 GQIWJRMNPUERNS-UHFFFAOYSA-N 477.569 2.192 30 10 JEEE C=CCNC(=O)Cn1c(N2CC[C@@H](c3ccccc3OC)C2)nnc1[C@]1(OCC)CCOC1 1286792837 JSNMLOQKMAHFTR-KOSHJBKYSA-N 455.559 2.235 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1286819278 FZMNAPVBCNBSAA-PGRDOPGGSA-N 461.588 2.024 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC(NC(=O)Nc2ccccc2)CC1 1286820334 JNXHEVGMPJMMBW-GOSISDBHSA-N 488.614 2.173 30 10 JEEE CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCc2scnc2C)CCO1 1286940239 BBFDZHQGMMEQJF-IBGZPJMESA-N 451.556 2.166 30 10 JEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@@]1(O)CCCc2ccccc21 1293407555 BWSBODKTQDNCAP-RDPSFJRHSA-N 455.580 2.480 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1CCCOCC)[C@H]1CCS(=O)(=O)C1 1300483399 LJHFDCUBQGGQBA-INIZCTEOSA-N 484.420 2.099 30 10 JEEE C#CCN(c1nnc(C2(c3ccccc3)CCC2)n1C[C@@H](COC)OC)[C@@H]1CCS(=O)(=O)C1 1300484143 RJYKTCSSSATZBZ-RTWAWAEBSA-N 472.611 2.036 30 10 JEEE C#CCN(c1nnc(C2CCC2)n1CCN(C)Cc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1300493513 VVQFQXZPZCHHKY-OAQYLSRUSA-N 459.591 2.443 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1Cc1ccc(OC)nc1OC)[C@H]1CCS(=O)(=O)C1 1300501773 NMVLWIFFBKHKHX-NRFANRHFSA-N 495.605 2.151 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@@H]1CCN(CCC)C1)[C@H]1CCS(=O)(=O)C1 1300504755 RMBWLOFMAXGBLN-UXHICEINSA-N 489.617 2.355 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC2([S@](C)=O)CC2)CC1 1300711832 IOOOQQKSXTWELH-INDDNBPWSA-N 487.601 2.434 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](CC)c3ccccc3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1300716020 HWOQCCFDJGDZOQ-DENIHFKCSA-N 483.638 2.221 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2Cc2ccc(OC)nc2)CC1 1300717137 ZPGCLUFRFYEPJH-UHFFFAOYSA-N 460.538 2.371 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2CC2(N(C)C)CCOCC2)CC1 1300719045 MHNUTDHQEXNBNT-UHFFFAOYSA-N 480.613 2.030 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)NCCC)CC1 1300863441 OEXGOIWQDCSZTN-WOJBJXKFSA-N 458.607 2.238 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1300875995 PFLMHGQHRFEANT-CTNGQTDRSA-N 475.615 2.407 30 10 JEEE COCC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCO[C@@H]2C(C)C)CC1 1300899347 FJSXMVCMEDNORR-SQJMNOBHSA-N 496.612 2.475 30 10 JEEE C=C(C)COCCn1c([C@H]2CCCO2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1301001708 MKUKDDRRHHPWPY-BAGYTPMASA-N 460.623 2.101 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CCC(NC(C)=O)CC1 1301491473 JXKUWXJSMHMEPU-UHFFFAOYSA-N 461.364 2.115 30 10 JEEE Cc1cc(C)cc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CC2(N(C)C)CCOCC2)c1 1304181390 CTTPEPYHKDZFSG-OAQYLSRUSA-N 454.575 2.314 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 1312467656 AMEIHHISXULSLJ-UHOSZYNNSA-N 452.515 2.112 30 10 JEEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@@H]1CCCCN1CC 1314393316 FDEQXBAKFNPAOR-MOPGFXCFSA-N 453.595 2.066 30 10 JEEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1CC(=O)N1CCN(c2ccccc2)CC1 1358941049 WYASKAYRSVQAKM-UHFFFAOYSA-N 496.413 2.464 30 10 JEEE C#CCN(c1nnc(-c2sc(N3CCOCC3)nc2C)n1C/C=C/CC)[C@H]1CCS(=O)(=O)C1 1358957228 RIYKBICGFMZLJD-DKFQHHCZSA-N 490.655 2.140 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1C[C@@H]1CCN(CC)C1)[C@@H]1CCS(=O)(=O)C1 1358958662 TWLFAPIHPKOMCB-IFMALSPDSA-N 455.628 2.476 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1CCCN1CCCCC1=O)[C@H]1CCS(=O)(=O)C1 1358966631 SODUOFVLTYWBLF-QFIPXVFZSA-N 483.638 2.093 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@](C)(O)C2CCCCC2)CC1 1359179239 PHQJYQCZIBTHJS-NZQKXSOJSA-N 481.663 2.345 30 10 JEEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1359202858 CYYPNAKBGULZJM-DLBZAZTESA-N 494.584 2.040 30 10 JEEE C=CCCOCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1359224455 RRGLSPZUXZGHQD-LJQANCHMSA-N 474.009 2.329 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 1359300258 XNDODRQDEILQQI-AEFFLSMTSA-N 461.588 2.075 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@@H](n3cncn3)C2)cc1 1359307041 YTLYEHTXJDSWAE-LJQANCHMSA-N 450.547 2.462 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](C)[C@@H](C)C1 1359332600 BPSKXRONWBHWRB-KSZLIROESA-N 483.635 2.280 30 10 JEEE Cc1cc(C)cc(OCc2nnc(N3CCC(C#N)CC3)n2CCN2CCCS2(=O)=O)c1 1361027846 FOXSZAWQEKBCKT-UHFFFAOYSA-N 458.588 2.249 30 10 JEEE C[C@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)N1CCCN(c2ccccc2C#N)CC1 1459435923 IFPBBKBYZBCHNM-GOSISDBHSA-N 455.584 2.348 30 10 JEEE N#Cc1ccc(C(=O)NCC(=O)N2CCc3cc(S(=O)(=O)N4CCCCC4)ccc32)cc1 1464581728 DAXAPPFYVHMOLL-UHFFFAOYSA-N 452.536 2.052 30 10 JEEE CC[C@H](C)NC(=O)[C@H]1CSCN1S(=O)(=O)c1cc(Br)c(C#N)cc1F 1474799963 AKVJINDAXDTDCI-TVQRCGJNSA-N 450.355 2.438 30 10 JEEE C=CCCC[C@H](NS(=O)(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1)C(=O)OC 1475687082 CAIAPPZZNMHRMU-SFHVURJKSA-N 458.602 2.346 30 10 JEEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1CC(F)(F)CNC(=O)OC(C)(C)C 1507618444 OKAHHVMSNOOHHE-UHFFFAOYSA-N 468.530 2.499 30 10 JEEE C#CCN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1C[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1507623468 SPUFJRGESIMIJS-VDZJLULYSA-N 476.002 2.144 30 10 JEEE C#CCN1CCN(c2nnc(CSc3ccccc3OC)n2CC(=O)NCC(F)(F)F)CC1 1507732662 JCVJAMXVTNHAES-UHFFFAOYSA-N 482.532 2.013 30 10 JEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 1507740967 IESCYOOAJLNPBY-UHFFFAOYSA-N 470.599 2.181 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2CC2(SC)CC2)CC1 1507741151 VOOOJBHEQAPVSJ-UHFFFAOYSA-N 472.640 2.131 30 10 JEEE C=C(C)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1507832736 OBMSZJJKMDGKBA-UHFFFAOYSA-N 461.570 2.469 30 10 JEEE C=C(Cl)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(CC(=O)NC(C)C)CC1 1507863531 HTETVVIIJKEFBE-UHFFFAOYSA-N 499.019 2.074 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCc2c(C)cccc2C1 1508148576 UYRAJNWOGBHXPT-FPOVZHCZSA-N 460.600 2.474 30 10 JEEE CC(C)OCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1509866845 BLBKEFLWHNNCIV-UHFFFAOYSA-N 460.542 2.062 30 10 JEEE C[C@H](CC#N)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ccc(C(N)=O)cc1 1509950983 GJPNJGNATBENNJ-QGZVFWFLSA-N 459.558 2.338 30 10 JEEE CCc1nnc(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CC[C@@](F)(C#N)C2)s1 1513771888 GLBOSARJAYSLED-LJQANCHMSA-N 461.548 2.253 30 10 JEEE C#C[C@H](NC(=O)Cn1cc(S(=O)(=O)N(CC)CC)ccc1=O)c1ccc(Cl)cc1F 1528522621 COCWCTVBWIJUFJ-SFHVURJKSA-N 453.923 2.162 30 10 JEEE C#CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1539089786 RGRXOMDSDYNGGS-FQEVSTJZSA-N 477.613 2.350 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1C[C@H]1CCC=CO1)[C@@H]1CCS(=O)(=O)C1 1539205198 GDUAMYUDILXVDG-IAGOWNOFSA-N 494.415 2.366 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H](C)c2ncc(C)s2)CC1 1539469248 PMAZFKRVHBEOJE-OSPHWJPCSA-N 486.642 2.465 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2Cc2cccc(C(F)(F)F)n2)CC1 1539470046 XNQLDUAQHILPLG-INIZCTEOSA-N 494.518 2.430 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2CC2([S@@](C)=O)CC2)CC1 1539488070 GFNJYCPNCRIMBF-MGBGTMOVSA-N 469.611 2.042 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2CCc2c(C)noc2C)CC1 1539489280 TYNLURBANCQFRE-UHFFFAOYSA-N 495.609 2.083 30 10 JEEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC2CCOCC2)CC1 1539612820 QOGOLNODRNEWGY-OALUTQOASA-N 484.439 2.459 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)Cc1nccs1 1540861704 CUGHQCKHUJRWFL-UHFFFAOYSA-N 459.963 2.257 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1540864396 YLQJJSYPXWQLOT-OAHLLOKOSA-N 490.406 2.081 30 10 JEEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC(N2CCCCC2=O)CC1 1540872718 YNWGJOUWZGRABB-UHFFFAOYSA-N 472.540 2.431 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1540875039 ZVAIVTNQFJHJJK-SFHVURJKSA-N 480.573 2.042 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(C)(C#N)CC1 1540900476 WWZUTNJZVYHKIU-UHFFFAOYSA-N 457.556 2.447 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(c2cccc(F)c2F)CC1 1540907845 KPBSLTJCAVPMPI-GOSISDBHSA-N 467.542 2.335 30 10 JEEE Cc1ccoc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2C#N)CC1 1542096935 BOPAIVSYUOGUKS-QGZVFWFLSA-N 469.571 2.036 30 10 JEEE C[C@@H]1C[C@H](CCn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCO[C@H](C#N)C2)CCO1 1543624143 HZAASVCMEJPHOF-ZHALLVOQSA-N 459.572 2.283 30 10 JEEE CS(=O)(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCCCCC2)C1 1555800640 CONKUHWAGDIEGP-NRFANRHFSA-N 472.615 2.228 30 10 JEEE CS(=O)(=O)N1CCC[C@H](CN2CCN([C@@H](C#N)c3ccc(Br)cc3)CC2)C1 1559721163 FTPSLVRAQPXJJM-APWZRJJASA-N 455.422 2.303 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@](C)(O)c1ccsc1)[C@@H]1CCS(=O)(=O)C1 1588045476 LOZKNGGRHIXSLY-NFBKMPQASA-N 481.603 2.413 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1ccc(N(C)C)cc1C)[C@@H]1CCS(=O)(=O)C1 1588064495 JCYHDDREHKCGGR-HSZRJFAPSA-N 478.622 2.313 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1CCCc1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 1588069981 VCTWCNXRBJKRQT-JOCHJYFZSA-N 496.637 2.467 30 10 JEEE C#CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCSC)[C@@H]1CCS(=O)(=O)C1 1588074635 PIICOHNDSTWZQZ-FGTMMUONSA-N 497.687 2.429 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1CC[C@]2(CCOC2)O1 1588574313 DESQYBSROFKSLM-GBXCKJPGSA-N 487.988 2.286 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC[S@@](=O)CC 1588645912 FEBAPOLIULGSLV-CVCYQNGTSA-N 467.636 2.247 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCC[C@H]1OC 1588647316 UMKOKBSXJRGNEJ-HSALFYBXSA-N 477.606 2.488 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)COC)CC1 1589515936 UPXQUOSRSUMQJH-DENIHFKCSA-N 455.559 2.230 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2ccc(CC)cc2)C1 1593636126 HIVIKAQSTOZPND-NHCUHLMSSA-N 475.615 2.327 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1595496568 AFMATADKEPIYMB-IBGZPJMESA-N 464.574 2.381 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 1595537637 UYBISVBQKQENTM-GHTZIAJQSA-N 472.977 2.135 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1595545273 UMZDSMAYXOOCGO-LJQANCHMSA-N 450.543 2.394 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(c2ccc(OC)cc2)CC1 1595788625 DXWDSUQWCPCIOC-FQEVSTJZSA-N 473.599 2.223 30 10 JEEE CS[C@H](C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1620190305 BOBXCWKMQMSPLF-MRXNPFEDSA-N 463.571 2.270 30 10 JEEE C#CCC1(NC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)CCC1 1652397679 BMMTWDPTNIGDFS-UHFFFAOYSA-N 459.612 2.485 30 10 JEEE C=CC[C@H](Cc1ccccc1)NC(=O)NCCN=c1ncnc2n(C)[nH]c(Br)c1-2 1677128325 DXRSGMUKTAEHMT-OAHLLOKOSA-N 458.364 2.398 30 10 JEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C1CCN(C(=O)c2ccccc2)CC1 1689874906 DWBHOBILIHYGJD-LJQANCHMSA-N 486.642 2.433 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@@H]1CCCN1CCC)[C@H]1CCS(=O)(=O)C1 1689992097 HILQFVWZMMKHFH-VXKWHMMOSA-N 485.654 2.379 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccccc1Cl)N(C)C 1690032693 HFBAMESFBBLQEF-XLIONFOSSA-N 477.034 2.308 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1cccnc1-n1cccn1 1690063519 GMLXOVRHXWVGOP-UHFFFAOYSA-N 490.593 2.284 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCCOc2ccc(C)cc2)CC1 1690143866 FIIUVJWCIGZWIA-JOCHJYFZSA-N 478.597 2.363 30 10 JEEE C#CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CC#C)CCOC 1690175396 WJYMITUAAVCSAA-SFHVURJKSA-N 463.604 2.039 30 10 JEEE C#CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1690185798 HCWVIOYZWWGNOY-SQNIBIBYSA-N 474.631 2.431 30 10 JEEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1690288105 IMHSFGXSYABFIO-IAGOWNOFSA-N 453.609 2.450 30 10 JEEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 1690308555 RRWALNGYAIGLII-HXUWFJFHSA-N 477.635 2.102 30 10 JEEE C=CCC(C)(C)Cn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1690434690 CXYUMMZXJFVHEN-UHFFFAOYSA-N 494.640 2.287 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCN1CC 1690565913 XJFGCZGYOZLXLH-YADHBBJMSA-N 488.658 2.288 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C)Oc2ccccc2OC)C1 1690699892 KOXFFEXZPWFZCM-GUDVDZBRSA-N 476.599 2.438 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@](C)(C#N)C1 1690730150 YDDYJUIYXYAKLW-QFIPXVFZSA-N 454.556 2.460 30 10 JEEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(O)(c2ccccc2)CC1 1690733903 QLCTZGWMTILJEV-QGZVFWFLSA-N 465.645 2.296 30 10 JEEE CCOC[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCS(=O)(=O)C2)C1 1696385316 IFKLFRNXEOWOFX-UXHICEINSA-N 473.599 2.416 30 10 JEEE Cn1cnnc1Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@](F)(C#N)C1 1696873394 FPFWIAANRKKUSL-YCRPNKLZSA-N 459.530 2.011 30 10 JEEE COCCN(CCC#N)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCOC[C@@H]1C 1698060296 BDPXNVTYNDVYGM-ZWKOTPCHSA-N 465.558 2.231 30 10 JEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCN(C)CC(F)(F)F 1705551373 MOGJIGBADQRBNF-HNNXBMFYSA-N 460.501 2.150 30 10 JEEE C#CCSCCn1c([C@@H](C)OCCOC)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1705653936 SYWFAWBDCLPGLU-LJQANCHMSA-N 464.636 2.096 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCOC[C@@H]1OC 1705670161 KLPNCQCFLYWTJA-ZCVJKFOLSA-N 487.626 2.239 30 10 JEEE C=C(Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](OC)C(C)(C)C1)c1ccccc1 1705743156 PEFACBZQVXNTDK-UXHICEINSA-N 475.615 2.186 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1705792614 WWVWOTIOCWIBAT-QYZOEREBSA-N 467.636 2.219 30 10 JEEE C=CCCOCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1705827301 ADYIUGQZGHGWPR-UHFFFAOYSA-N 491.614 2.169 30 10 JEEE C=CCCOCCn1c(-c2cccc(C)n2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1705829316 NHDIFVFYDQKHKM-LJQANCHMSA-N 453.547 2.008 30 10 JEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](O)(c2ccc(C)cc2)C1 1705830190 KSRVWPNZJDRXJC-CVDCTZTESA-N 460.600 2.179 30 10 JEEE C=CCCOCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1705831898 GWWMVMPHDLVMPK-JTSKRJEESA-N 461.588 2.247 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc[nH]3)n2Cc2ccccc2S(=O)(=O)N(C)C)C1 1705919261 ZZPHFZYULRURES-GOSISDBHSA-N 456.572 2.353 30 10 JEEE C=CCSCCn1c(COc2ccccc2F)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1705949377 XMJSJDZLGIZYSG-UHFFFAOYSA-N 490.605 2.089 30 10 JEEE CC[C@H]1CCCN1c1nnc(-c2cccc(C#N)c2)n1CCNS(=O)(=O)Cc1ccon1 1709275561 ABJOFCRNWVCRGZ-IBGZPJMESA-N 455.544 2.303 30 10 JEEE CN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1CC1(S(C)(=O)=O)CCCC1 1711084365 FPATYQVCRWXJJT-UHFFFAOYSA-N 470.599 2.380 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H](CCC)OC)[C@@H]1CCS(=O)(=O)C1 1722363833 VYWVMQFVXHODIV-RTBURBONSA-N 474.583 2.158 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1nccc(C(F)F)n1 1722390669 VNIUAOHTNCCAQM-UHFFFAOYSA-N 499.547 2.434 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CC[C@]2(CCOC2)O1 1722391114 ZXWGPWDTYHVYKZ-GBXCKJPGSA-N 468.579 2.150 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1OCC1CC1 1722396215 GUQNWGGVSZRPBD-OAQYLSRUSA-N 452.580 2.480 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCCc1ccccc1 1722397311 PIOPAMNTZOPRHF-JOCHJYFZSA-N 469.611 2.097 30 10 JEEE C#CCN(CC#CC)c1nnc(Cc2csc(C)n2)n1CC(=O)N1CCN(c2ccccc2)CC1 1722399836 UJLOBLGYKLWAGS-UHFFFAOYSA-N 487.633 2.446 30 10 JEEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1722459056 BHFQOOJIXNJLEV-NRFANRHFSA-N 474.675 2.411 30 10 JEEE C=CCCOCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCN(C(=O)NC)CC1 1722624691 HIXSKBPVSGTTOA-UHFFFAOYSA-N 450.547 2.185 30 10 JEEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCn2ccnc2C1 1722632214 LSAQUPJBIDAULV-QGZVFWFLSA-N 455.588 2.277 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(S(C)(=O)=O)CC1 1722729567 OYEQTLQRJGKKED-UHFFFAOYSA-N 487.047 2.137 30 10 JEEE C=CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1722734159 CLCBUSMRPNQFGY-HNNXBMFYSA-N 466.589 2.243 30 10 JEEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC(F)(F)F)C[C@]2(CCCOC2)O1 1726661375 APOHPVTWKSDCNL-BTYIYWSLSA-N 478.475 2.270 30 10 JEEE CCOC(=O)N[C@H](CC(C)C)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](C(N)=O)C1 1728703951 GYEWOKFEEAJRTM-RBUKOAKNSA-N 453.547 2.289 30 10 JEEE C#CCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1740598749 BXNRTQGQLYPHCD-FPOVZHCZSA-N 484.626 2.421 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CCc1ccc(C)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1740624013 CDHGDGVRGLYVET-JOCHJYFZSA-N 479.606 2.450 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1C[C@H]1CN(Cc2ccccc2)CCO1)[C@@H]1CCS(=O)(=O)C1 1740624990 CEIUAELYUMQUGJ-DHIUTWEWSA-N 485.654 2.004 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(-c2ccsc2)nc1 1740630134 FWJVSIUVRBWDHK-MRXNPFEDSA-N 454.581 2.133 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@H]2CCOC2)CC1 1740694806 UTTVTOSJILJNNZ-PMACEKPBSA-N 458.607 2.184 30 10 JEEE C#CCSCCn1c(CCc2ccc(OC)cc2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1740719794 LPCVDKBKUHCYRA-QFIPXVFZSA-N 496.637 2.205 30 10 JEEE C=C(Br)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1740736190 GNRSWCNTDNSJGN-UHFFFAOYSA-N 491.394 2.418 30 10 JEEE C=C(Br)Cn1c(N2CCN(c3ncc(F)cn3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1740749823 FUAYJFXBIMKMLQ-HXUWFJFHSA-N 496.385 2.483 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CC)Cc1nc(O)c2ccccc2n1 1740794946 KZYSPOQRXOIKSE-KRWDZBQOSA-N 486.598 2.448 30 10 JEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2cccc(C)c2)CC1 1740877178 TXFLOVOOQJVUMC-OAQYLSRUSA-N 474.631 2.212 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1C[C@H](c2ccsc2)O[C@H](C)C1 1740985163 CUMHTICTWZADSB-NVXWUHKLSA-N 467.617 2.045 30 10 JEEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1741003486 VWAUSPYRQIDZLH-WOJBJXKFSA-N 456.616 2.050 30 10 JEEE CC(C)OC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCN2CCCO)CCO1 1741753386 CMQXDPLGCGQISA-XZOQPEGZSA-N 468.602 2.294 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCCCCCO)[C@@H]1CCS(=O)(=O)C1 1748808020 GEKZSZVOEDHDAQ-MRXNPFEDSA-N 484.420 2.215 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC1(CCOC)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1748811783 LHKDENCQNIPKJQ-HXUWFJFHSA-N 474.631 2.292 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1CC1(S(C)(=O)=O)CCC1 1748950947 RCJRGDLQDLVYPG-UHFFFAOYSA-N 484.420 2.099 30 10 JEEE C#CCN(CCOC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC1([S@@](C)=O)CC1 1748962569 LGYDUMFFDFMJND-MGBGTMOVSA-N 479.647 2.390 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCS(=O)(=O)Cc2ccccc2)CC1 1748983295 NBNKSBXKEQCAMY-UHFFFAOYSA-N 485.013 2.364 30 10 JEEE C=C(Cn1c(N2CCN(CCOC)C(=O)C2)nnc1[C@@]1(OC(C)C)CCOC1)c1ccccc1 1749247238 NRQNFLRZPPOSRP-RUZDIDTESA-N 469.586 2.327 30 10 JEEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1749672058 OPNZEDPMKHODKG-KRWDZBQOSA-N 470.528 2.499 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CC2(O)CCS(=O)(=O)CC2)C1 1749718684 HEWVLYDYYOQWEL-NRFANRHFSA-N 490.626 2.195 30 10 JEEE C=CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1749756187 ULOVWTCFLKHLGB-FQEVSTJZSA-N 462.664 2.226 30 10 JEEE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3cccc(Cl)c3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1749785677 FLAURCPEEXGAOQ-JHGXHUTESA-N 497.987 2.430 30 10 JEEE CC(=O)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC[C@@H](O)C2)CC1 1749838768 DXARBKWPJNWTEA-LEWJYISDSA-N 452.559 2.338 30 10 JEEE CC(C)(C)c1nnc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(OCC(N)=O)CC2)s1 1750131880 FSDSAWLHLSHNFP-UHFFFAOYSA-N 480.598 2.485 30 10 JEEE Cc1ccc2c(CCn3c([C@@H]4CN(S(C)(=O)=O)CCO4)nnc3N(C)C[C@H](C)C#N)c[nH]c2c1 1751590763 CSVALFHOEHDZRB-UTKZUKDTSA-N 485.614 2.239 30 10 JEEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC2(CCN(C)C2=O)CC1 1760132082 CPDKEZVCVGTFEY-UHFFFAOYSA-N 498.653 2.448 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1C[C@H]1CCN(CC(F)(F)F)C1)[C@H]1CCS(=O)(=O)C1 1760184145 VRQILNWXENWEGM-HOTGVXAUSA-N 461.554 2.087 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCCO2)n1Cc1ccc(CN2CCC(O)CC2)cc1 1760252531 HDRSUSZCYRCYTK-HSZRJFAPSA-N 453.587 2.221 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2CCC(=O)N2CCCCCC2)CC1 1760264286 HUVXLVHPMATXBS-UHFFFAOYSA-N 480.613 2.414 30 10 JEEE C=CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](N2CCCC2=O)C1)c1ccccc1 1760418329 QRUCNJOGZGNQJA-CEWLAPEOSA-N 486.642 2.449 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(C)C(=O)[C@@H]1C 1760548450 GVSSBUFTCHBPAY-JKSUJKDBSA-N 482.006 2.339 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@@H](C(=O)NC)C1 1760557743 VGNKFXLZSZPOIL-MRXNPFEDSA-N 482.006 2.074 30 10 JEEE CC(=O)N1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2ccc(C#N)o2)[C@@H](C)C1 1760614077 JEBMGPBKRUWLQP-JXFKEZNVSA-N 499.572 2.156 30 10 JEEE C[C@H]1COC(C)(C)CN1c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1771506015 DAKOIKUKQFJVGN-FUHWJXTLSA-N 458.588 2.102 30 10 JEEE COc1cc(CNC(=O)C#Cc2cn(Cc3ccc(-c4cnco4)cc3)c(=O)nc2O)ccc1F 1772656792 XHWPSFKZEOYPJH-UHFFFAOYSA-N 474.448 2.468 30 10 JEEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1862616939 WHYSXNYNRRVQDN-XUSGNXJCSA-N 498.444 2.096 30 10 JEEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1862685561 ZKQZJZWAHHIAEO-NSPYISDASA-N 458.398 2.464 30 10 JEEE COc1ccc(Cn2nnc(C#N)c2NC(=O)CN2C(=O)COc3ccc(Cl)cc32)cc1F 1870112487 GWNCQLLMUPQLLH-UHFFFAOYSA-N 470.848 2.363 30 10 JEEE COc1ccc(-n2nnc(C#N)c2NC(=O)[C@@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2)cc1 1870148924 DRTMIVQKELZWCB-QGZVFWFLSA-N 490.520 2.194 30 10 JEEE CC(=O)NCCn1cc(OCC(=O)Nc2sc3c(c2C#N)CCC3)c(=O)cc1CN1CCCCC1 1870324237 BCFXOXMUHUXJSO-UHFFFAOYSA-N 497.621 2.410 30 10 JEEE C=CCn1cc(OCC(=O)Nc2ccc(OC)cc2OC)c(=O)cc1CN1CCC(CO)CC1 1870391722 RFFJNZCZOYBRPD-UHFFFAOYSA-N 471.554 2.273 30 10 JEEE C=CCn1c(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc2c(N3CCN(C)CC3)ncnc21 1873561591 RFXLLKGIPJBGAG-UHFFFAOYSA-N 463.561 2.471 30 10 JEEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)NCc3nc(N(C)C)nc(N4CCCC4)n3)n[nH]2)c1C 1889951230 ZECMWLWZXZTMMU-UHFFFAOYSA-N 464.578 2.247 30 10 JEEE CC(C)N1CCN(CC#CCOC2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)CC1 1890458598 ZBRJETPHSSYMNQ-UHFFFAOYSA-N 455.571 2.164 30 10 JEEE COC(=O)Nc1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)N2CCC(C#CCN(C)C)CC2)cc1 1891873782 GHNUNNJZNDFUME-JOCHJYFZSA-N 490.626 2.212 30 10 JEEE C=CCNC(=O)[C@H](C)[S@](=O)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1990677388 LVQGBJLFXOQFJD-KQOJPKKMSA-N 470.547 2.418 30 10 JEEE CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2124534719 JJOMKXVZMASIMB-CYBMUJFWSA-N 454.283 2.359 30 10 JEEE CC(C)(C)OC(=O)N[C@@]1(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)CCN(Cc2ccccc2)C1 2124734368 VZVSQHQZKSUDLN-BWKNWUBXSA-N 453.587 2.355 30 10 JEEE Cc1csc(C(=O)NC2(CO)CN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2255836538 ALCSVDXHVRAGQB-UHFFFAOYSA-N 452.382 2.067 30 10 JEEE CC1(C)OB(c2cnsc2C(=O)N2C[C@@H]3OCCN(Cc4ccccc4)[C@@H]3C2)OC1(C)C 2267165024 ZGWYDHUFXYNWHZ-MOPGFXCFSA-N 455.389 2.168 30 10 JEEE CC(C)(C)OC(=O)N1CC([S@@](C)(=O)=NC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2267279772 LIAXPUJNBAEUFX-JGCGQSQUSA-N 465.381 2.238 30 10 JEEE CC(C)(C)OC(=O)NC1(CCNS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CC1 2267347908 XQUDNNAZEQYALC-UHFFFAOYSA-N 467.397 2.107 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](CNC(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)CO1 2267488041 SWNLNBZLEIRQBF-ZIAGYGMSSA-N 467.397 2.102 30 10 JEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](CNC(=O)C2(B3OC(C)(C)C(C)(C)O3)CC2)[C@H]1OC 2267502599 QDJUWHQAPSOOIM-BZUAXINKSA-N 454.373 2.378 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC[C@@H](C)N(C)C(=O)OC(C)(C)C 2267523686 FZIKGACXUDBOBY-CQSZACIVSA-N 450.389 2.403 30 10 JEEE CC(C)(C)OC(=O)N1CCC12CN(S(=O)(=O)c1ccc(B3OC(C)(C)C(C)(C)O3)cc1)C2 2267719324 BAPVWQDGKLIICN-UHFFFAOYSA-N 464.393 2.370 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2268641860 CZCOGRGSJGNHGZ-CYBMUJFWSA-N 465.385 2.175 30 10 JEEE CC(C)(C)OC(=O)N[C@]1(C(=O)Nc2nc(B3OC(C)(C)C(C)(C)O3)ccc2Cl)C[C@H](O)C1 2268710450 IESZICFDHMEQQO-UZKDLZAESA-N 467.759 2.391 30 10 JEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1c(F)cccc1B1OC(C)(C)C(C)(C)O1 2281769144 ABXIOTVLTFWDCF-IAGOWNOFSA-N 464.343 2.489 30 10 JEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@]1(C)CO 2281798721 LPSCLQWKIQCISD-QHCPKHFHSA-N 464.368 2.331 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@](C)(CNC(=O)OC(C)(C)C)C1CC1 2281998880 AAFPNJAMBWFURQ-QHCPKHFHSA-N 462.400 2.451 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@H]2CCN(C(=O)c3ncsc3B3OC(C)(C)C(C)(C)O3)C[C@@H]21 2282022520 UMRNTOBJMIUXEM-GJZGRUSLSA-N 479.408 2.293 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C2)n1 2282038909 OOPQUVPGIXXSBR-DOMZBBRYSA-N 455.286 2.218 30 10 JEEE Cn1cc(C(=O)NC2CC3(CCN(C(=O)OC(C)(C)C)C3)C2)nc1B1OC(C)(C)C(C)(C)O1 2282044665 VSHSUQWPFHOBHG-UHFFFAOYSA-N 460.384 2.239 30 10 JEEE Cc1cc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2O)ccc1B1OC(C)(C)C(C)(C)O1 2282113717 TVRZNGDBEREXSX-OALUTQOASA-N 460.380 2.394 30 10 JEEE Cc1c(B2OC(C)(C)C(C)(C)O2)cccc1C(=O)NCC1(CO)CN(C(=O)OC(C)(C)C)C1 2282123255 SAHGNKAHSYHOPE-UHFFFAOYSA-N 460.380 2.253 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@H](CCNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2282180108 QIDVORAEYHLABD-QGZVFWFLSA-N 461.368 2.137 30 10 JEEE CC(C)(C)OC(=O)N1[C@H](CNC(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)C[C@H]2OCC[C@@H]21 2282209969 ZTCYWUIYCGBTQH-BHYGNILZSA-N 462.352 2.476 30 10 JEEE CC(C)(C)OC(=O)NCCCN(CCO)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2282465687 WSNVFQPDHONOAL-UHFFFAOYSA-N 466.359 2.474 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](NS(=O)(=O)Cc3ncsc3B3OC(C)(C)C(C)(C)O3)C[C@H]21 2282493082 RNFQCLUSSMMPIT-IJEWVQPXSA-N 499.464 2.260 30 10 JEEE C[C@@H]1CN(C(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)C[C@H]1CCNC(=O)OC(C)(C)C 2282556609 KNGGTGXAHAQGIQ-HZPDHXFCSA-N 462.400 2.342 30 10 JEEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@@H](F)[C@H](NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C2 2282585031 ICGPMIAEAGDPBG-UKMLZYKCSA-N 464.347 2.317 30 10 JEEE Cc1nn(C)c(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H]3CC[C@@H]32)c1B1OC(C)(C)C(C)(C)O1 2282585619 NRGSVLLQVUKAME-JKSUJKDBSA-N 460.384 2.252 30 10 JEEE C[C@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 2282626384 BJUDZYUHKFIOJA-JKSUJKDBSA-N 462.400 2.485 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2O)c1 2282687346 FHWUHZQMGSVFHX-OALUTQOASA-N 460.380 2.394 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1CNS(=O)(=O)c1c(F)cc(F)cc1B1OC(C)(C)C(C)(C)O1 2282872060 PQHCBOQNUMRUJN-MLGOLLRUSA-N 488.362 2.456 30 10 JEEE CC(C)(C)OC(=O)N1CC(O)([C@H](F)C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)c2F)C1 2284063629 RVXVVIDAKOGZTI-MRXNPFEDSA-N 468.306 2.383 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@H]2NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2312859882 UJZAIOGXQWWIFF-NOLJZWGESA-N 470.422 2.333 30 10 JEEE N#Cc1nc(C=C2SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)oc1N1CCC(C(N)=O)CC1 2314509230 TXNNMIYWSJGETE-UHFFFAOYSA-N 497.558 2.378 30 10 JEEE COc1ccc(OC)c(NC(=O)CSc2nnc(C)n2N=Cc2cnc(N(C)C)nc2)c1 2321795431 RGMBEQWNSCXWOV-UHFFFAOYSA-N 456.532 2.073 30 10 JEEE COc1ccc2c(c1)c(C=Nn1cnnc1SCC(=O)NCc1ccco1)c(C(=O)O)n2C 2321876805 GFXPSPBFBPYLSP-UHFFFAOYSA-N 468.495 2.360 30 10 JEEE CCOC(=O)c1ccc(CSc2nnc(CNC(C)=O)n2N=Cc2ccc(O)c([N+](=O)[O-])c2)o1 2330749950 MSBNPEMNHNUPMH-UHFFFAOYSA-N 488.482 2.472 30 10 JEEE CCCOC(=O)CSc1nnc(CCOC)n1N=Cc1cc(OC)c(OC)c(OC)c1 2331312202 SOMDWOLKERBPDG-UHFFFAOYSA-N 452.533 2.420 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCc1csc(CNC(=O)OC(C)(C)C)n1 2362352968 HQSCPOCOXNYRCI-UHFFFAOYSA-N 477.396 2.131 30 10 JEEE COc1ccc(/C=N/Nc2nnc(SCC(=O)Nc3ccc(OC)c(OC)c3)n2N)cc1OC 20292805 BJOQAOOAADCHCY-FOKLQQMPSA-N 487.542 2.203 30 10 JEEE COc1ccccc1CNc1nc2c(c(=O)[nH]1)[C@@H](c1ccc3c(c1)OCCO3)[C@H](C#N)C(=O)N2 72472354 PPCCOEOMUJWIGS-KXBFYZLASA-N 459.462 2.386 30 10 JEEE COc1ccc([C@@H]2/C(=C(/O)c3c(C)n[nH]c3C)C(=O)C(=O)N2CCCN2CCOCC2)cc1 102751814 GQXQMKBRWZWCLS-SADKCHQCSA-N 454.527 2.179 30 10 JEEE NS(=O)(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2c2ccncc2)cc1 170359016 KBCLXMVNDZNVHV-IBGZPJMESA-N 480.458 2.420 30 10 JEEE CCc1nnc(NC(=O)CSc2nnc(N/N=C/c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)[nH]2)s1 253574706 SZBBVMMAEOPVRY-OMCISZLKSA-N 478.476 2.212 30 10 JEEE C=C1C(=O)O[C@H]2C=C(C)[C@@H](OC(C)=O)CC=C(C)C[C@@H](OC(=O)[C@@](C)(O)[C@H](C)OC(C)=O)[C@@H]12 253687711 MDEMWAXREYWVBU-QOIPOCCISA-N 464.511 2.317 30 10 JEEE COCc1nnc(NC(=O)C[S@](=O)CC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)s1 586299308 LJDKHPNJUICCFG-WDYDWSGBSA-N 467.598 2.068 30 10 JEEE C#CCN(C(=O)CSc1nnc(-c2cccnc2)n1-c1ccccc1)[C@H]1CCS(=O)(=O)C1 729331172 KHLSXNGHGBJXTE-IBGZPJMESA-N 467.576 2.070 30 10 JEEE C=CCNC(=O)[C@@H](C)Sc1n[nH]c(NN=Cc2ccc(OC)c(OCn3cccn3)c2)n1 1084076950 SYINBXFKOLBPQT-CQSZACIVSA-N 456.532 2.275 30 10 JEEE CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)N[C@@H]2CCc3cc(C#N)ccc32)c1 1128564765 GWIWVGBRYBZMQG-OAQYLSRUSA-N 454.552 2.062 30 10 JEEE C=CCOc1ccccc1CN(C(=O)CN1CCN(C)C(=O)C1)c1ccc2c(c1)OCCO2 1136697933 MMUZXXYKTJQUBH-UHFFFAOYSA-N 451.523 2.330 30 10 JEEE C=CCn1c(SCC(=O)N2CCC(O)(C(=O)OC)CC2)nnc1-c1ccc(Cl)cc1 1151118821 XYRAIVVNKQMIQL-UHFFFAOYSA-N 450.948 2.403 30 10 JEEE C#CCN(c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCOCCOC)[C@H]1CCS(=O)(=O)C1 1286385146 UQRUVQKCMJWUOK-MJGOQNOKSA-N 492.667 2.421 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccccc1OCCOC)[C@H]1CCS(=O)(=O)C1 1286385643 OJXQENTZRFFZCF-IBGZPJMESA-N 460.600 2.276 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1sc(C)nc1C)[C@@H]1CCS(=O)(=O)C1 1286388946 DAAYVCQUIGLDJU-QGZVFWFLSA-N 456.597 2.397 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCc1nc(C)c(C)s1)[C@H]1CCS(=O)(=O)C1 1286397291 YWUADHJEGMAUSD-ROUUACIJSA-N 463.629 2.115 30 10 JEEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2C[C@H]2CCC(=O)N2)CC1 1286484568 MMDMGKQNRHDYQX-HXUWFJFHSA-N 450.587 2.323 30 10 JEEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(OCCCOC)CC1 1286530005 CWHASEJRGVPFRY-UHFFFAOYSA-N 456.385 2.445 30 10 JEEE C=C(Br)Cn1c(-c2noc3c2COCC3)nnc1N1CC[C@H](OCCOC)C1 1286537941 GNKLMPYMHMYBPJ-ZDUSSCGKSA-N 454.325 2.156 30 10 JEEE C=C(Cl)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1286625400 GECNAKBDXPCMMV-UHFFFAOYSA-N 476.965 2.289 30 10 JEEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1286688770 SWDTXKAUUQKAPF-QGZVFWFLSA-N 452.625 2.167 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCOC2(CCCC2)C1 1286780515 XCMSJYGCSANYDL-UHFFFAOYSA-N 471.558 2.423 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1286818454 IXXPGWUAOQQTHB-UHFFFAOYSA-N 461.979 2.249 30 10 JEEE CC(=O)NCCN(Cc1ccc(C)s1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(O)CCN(C)C1 1286954470 DMARABZBZHFMSZ-RUZDIDTESA-N 493.637 2.396 30 10 JEEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CC2)C[C@@H](C(F)(F)F)O1 1291278934 DZDDHQZYOLKQPL-PBHICJAKSA-N 499.515 2.462 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCOCC1(C)C 1300310580 NSZHAEKMDQERQW-OALUTQOASA-N 476.622 2.155 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H]1CC(=O)N(CCOC)C1 1300327676 DUIGOMWAWVGHLT-FHWLQOOXSA-N 474.606 2.303 30 10 JEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1Cc1cc(C)nn1C)[C@@H]1CCS(=O)(=O)C1 1300483266 KBTBFYURDILXCP-GOSISDBHSA-N 458.975 2.315 30 10 JEEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1C[C@@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 1300545607 SJKSHZRVBIXGBU-IBGZPJMESA-N 466.586 2.263 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCN(CC)C1 1300574687 GMXJHBGKYJKMGF-LJQANCHMSA-N 453.616 2.043 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](OC)c2ccc(Cl)cc2)CC1 1300681399 NVRIDQQSLQYGHV-HXUWFJFHSA-N 456.978 2.310 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2Cc2cc(C)on2)CC1 1300688466 GBDZAXDSXNLORX-UHFFFAOYSA-N 452.515 2.071 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC2CC2)CC1 1300711771 GZSBVKRAPSIEIL-UHFFFAOYSA-N 454.962 2.237 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](C)Cc2ccc(OC)cc2)CC1 1300728616 BOINLEJTNDYENE-FQEVSTJZSA-N 492.624 2.254 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1300884060 GTZOJIOPMWBDTE-DYXWJJEUSA-N 481.663 2.404 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCN(C(=O)OC)CC2)nnc1[C@]1(OC(C)C)CCOC1 1300897466 RSDUBFORCYFENB-YDHSSHFGSA-N 463.579 2.188 30 10 JEEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1301027653 VEKUQDRGHJHTGX-MRXNPFEDSA-N 450.374 2.489 30 10 JEEE C=CCN(c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(C)CN(C)C1=O)C1CC1 1301327039 LJDNTHDKBGHRNC-SBUREZEXSA-N 460.579 2.220 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC[C@H](CNC(=O)c2ccccc2)C1 1301490562 AKCHLYFXZUEIMQ-LJQANCHMSA-N 459.554 2.289 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN2C(=O)OC[C@@H]2C1 1301528455 BTCNDRLISCHBLW-IBGZPJMESA-N 468.558 2.450 30 10 JEEE C=CCS(=O)(=O)CCn1c(CSc2ccc(Cl)cc2)nnc1N1CC(=O)N(C)C[C@H]1C 1301593644 RTXLGKJLYPCJPJ-OAHLLOKOSA-N 484.047 2.492 30 10 JEEE COc1cc(Cl)ccc1-c1nnc(N2CC[C@](F)(C#N)C2)n1CCC(=O)N1CCOCC1 1315326284 DFZWAOKXHJQPMT-NRFANRHFSA-N 462.913 2.298 30 10 JEEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CCCC2)C[C@H]1C 1316124851 AOQKKCUIBWNVTK-LJQANCHMSA-N 486.642 2.331 30 10 JEEE C#CCN(C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1358941537 NWOSXGOSZUQLCK-DYESRHJHSA-N 473.599 2.236 30 10 JEEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2F)n1CCS(=O)(=O)N1CCSCC1 1358942745 IKQCIOUUSDBLAQ-UHFFFAOYSA-N 457.984 2.186 30 10 JEEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@H]1CC(F)(F)CO1 1358981601 QEKOKEWOLRMNFS-JOCHJYFZSA-N 468.552 2.140 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H](OC)C1CC1 1358986886 KUIIYGNXWSUWLE-IBGZPJMESA-N 454.600 2.435 30 10 JEEE C#CCN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1359004268 PWOYNRMFPOACBP-LJQANCHMSA-N 467.389 2.025 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@@H]2CCOC[C@@H]2C)CC1 1359031384 ZVVPYPVGPOXKBP-OALUTQOASA-N 469.586 2.399 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(OC)cc2C(F)(F)F)CC1 1359035859 GWAWPDIJYBRSDP-KRWDZBQOSA-N 497.543 2.011 30 10 JEEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(CC)[C@@H](C)C1 1359055099 SQMLONCZIBBDKU-KRWDZBQOSA-N 451.600 2.089 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1359107584 PWAUHYFDHMMPAW-GHTZIAJQSA-N 455.625 2.003 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ccc(C)cc1 1359113142 ASPDPPAGIWODDK-FQEVSTJZSA-N 463.604 2.401 30 10 JEEE C=C(C)Cn1c(Cc2ccncc2)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1359123082 MMKQIXURIZSLIY-UHFFFAOYSA-N 456.547 2.490 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)N2CCC(C)CC2)CC1 1359178864 DYHQOSFMAFKHMO-FPOVZHCZSA-N 480.679 2.134 30 10 JEEE C=CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1359213998 OMJHWOXXAKNBRZ-LJQANCHMSA-N 492.628 2.195 30 10 JEEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1359304226 QSWOWZMUYOXSER-UHFFFAOYSA-N 469.590 2.052 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCO3)n2CCOc2ccc(S(C)(=O)=O)cc2)C1 1359325278 BKWYUMSFZNEXNP-AZUAARDMSA-N 462.572 2.393 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C1CCC1 1359333076 NOMPCXXRWPWQJP-QGZVFWFLSA-N 469.608 2.176 30 10 JEEE Cc1cc(C)cc(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H](C)CN2CCOCC2)c1 1361035514 FBYBQAYBRMWMLG-RBBKRZOGSA-N 454.575 2.171 30 10 JEEE CC[C@H](c1ccccc1)c1nnc(N2CC[C@](F)(C#N)C2)n1CCN1CCN(C(C)=O)CC1 1496405486 ABOBLIGPAZVOQX-QPPBQGQZSA-N 453.566 2.426 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2CCN2CCOC[C@@H]2C)c1 1507551413 DRNGLVRXUXUOBY-FQEVSTJZSA-N 473.581 2.041 30 10 JEEE C#CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1507554832 ZHLNYADEKTWCQU-MJGOQNOKSA-N 454.962 2.380 30 10 JEEE C#CCCCCn1c(Cc2ccccn2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1507568742 YVKWETVWBCHPSJ-ZJSXRUAMSA-N 463.630 2.446 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1CCc1nccs1)[C@@H]1CCS(=O)(=O)C1 1507627835 GGRPDRNPCMLZBK-MRXNPFEDSA-N 457.581 2.280 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC2(N(C)C)CCC2)CC1 1507735531 XTFKEVFIRDYYMB-UHFFFAOYSA-N 455.994 2.444 30 10 JEEE C=C(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 1507826806 DJFBLJHZLWHCSE-FQEVSTJZSA-N 458.588 2.270 30 10 JEEE C=C(Cl)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1507860396 NFQBWLAWKKILOI-SFHVURJKSA-N 474.949 2.481 30 10 JEEE C=C(Cl)Cn1c(N2CCN3C(=O)OC[C@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1507874295 RCOGENOXMFQUNT-QLFBSQMISA-N 452.943 2.442 30 10 JEEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1507915734 YBFUFCAFULXUSO-ZGPJWRFFSA-N 455.625 2.263 30 10 JEEE C=CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)C(=O)C1)c1ccccc1 1507924468 NUBRTDIUMKOHEP-PKOBYXMFSA-N 472.615 2.059 30 10 JEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 1507954988 TYARVYUYKDWBTP-CVEARBPZSA-N 481.541 2.125 30 10 JEEE CC(C)NC(=O)c1nnc(N(C)[C@@H](C)CC#N)n1Cc1cccc(CN2CCO[C@H](C)C2)c1 1509576650 CCIQPFOGMKFUCY-RBUKOAKNSA-N 453.591 2.424 30 10 JEEE CCCC(O)(CCC)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1514352602 BBLDGNDVUXUWRZ-IBGZPJMESA-N 466.590 2.154 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCNC(=O)c1cccc(O)c1 1539013312 MUHMEGINXPOCRI-LJQANCHMSA-N 488.596 2.436 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H](C)OC)c1 1539039730 FYVYLPSKUXYBEM-MHECFPHRSA-N 455.559 2.410 30 10 JEEE C#CCCCCn1c(-c2noc3c2COCC3)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1539067434 GKAGYAAUNPSZQM-MSOLQXFVSA-N 470.574 2.177 30 10 JEEE C#CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 1539104485 JERWBNCNXKSTII-SFHVURJKSA-N 481.022 2.284 30 10 JEEE C#CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CCCN1CCCO 1539175767 ASFITJLIGVCZCD-WOJBJXKFSA-N 460.623 2.309 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC(F)(F)Br)[C@H]1CCS(=O)(=O)C1 1539215511 DQMLVZVMQNTASX-ZDUSSCGKSA-N 474.331 2.263 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1Cc1ncccc1C)[C@H]1CCS(=O)(=O)C1 1539230537 NRXDCSOGUQOWHS-IBGZPJMESA-N 469.542 2.375 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1(N(C)C)CCOCC1 1539232602 JNCJGCJROZSGNW-UHFFFAOYSA-N 468.989 2.045 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2ccccc2F)n1CCN/C(O)=C1\N=CC=CC1=O 1539238850 DBZSGTXYJWAOOZ-IJCFDHGGSA-N 462.485 2.156 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ncnn1C(C)(C)C 1539391369 CFCKJDRPOZGRJI-GOSISDBHSA-N 485.589 2.354 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1CC(F)(F)CO1 1539395693 HDHQQLOOLUMYDM-QGZVFWFLSA-N 467.904 2.372 30 10 JEEE C=C(C)COCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1539744359 JLYJAZLURDBFCN-MRXNPFEDSA-N 472.571 2.200 30 10 JEEE C=C(Cl)Cn1c(Cc2ccncc2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1539809929 DVMKTZARQSCZRX-DYESRHJHSA-N 458.010 2.395 30 10 JEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CN(C)C(C)C)CC1 1540005868 OZHBCLNTVDAMKB-FQEVSTJZSA-N 468.668 2.134 30 10 JEEE C=CCN(c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCS(=O)(=O)N(C)C)C1CC1 1540103667 CTIOOYJWWUUSBG-UHFFFAOYSA-N 485.614 2.282 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@](C)(OC)CC1 1540871165 FXPACHSZVCDGSG-UUOWRZLLSA-N 492.621 2.284 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCN(C)C(=O)C1 1540907239 PNRBBSSUCGTYGF-UHFFFAOYSA-N 475.615 2.034 30 10 JEEE CCNC(=O)C1(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@H](C)[C@H](C)S(C)(=O)=O)CCC1 1547751513 BWTTUSICJSKMIJ-SJORKVTESA-N 472.615 2.381 30 10 JEEE COc1ccccc1O[C@@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1 1555093399 DIFZBIHKKFLLBD-FUHWJXTLSA-N 459.572 2.396 30 10 JEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N(C)C 1585774799 GDGJTJMGDHUREB-MRXNPFEDSA-N 452.577 2.248 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2C[C@]2(C)CCCO2)c1 1587697747 WXGRXCGURNVHTO-DEOSSOPVSA-N 450.543 2.026 30 10 JEEE C#CCCCCn1c(N2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)nnc1[C@]1(OCC)CCOC1 1587792853 BWEOLGPSFNFKLP-NVQXNPDNSA-N 486.661 2.257 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1cccc(Cn2ccnc2)c1)[C@@H]1CCS(=O)(=O)C1 1588028982 BKSCINUTUBMEGV-OAQYLSRUSA-N 466.611 2.495 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@H]1CCCS(=O)(=O)C1 1588124267 IFRJYGJCHMXQSB-LJQANCHMSA-N 492.605 2.134 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1Cc1cccc(CN2CCO[C@@H](C)C2)c1 1588173478 BNWBVGQJSSTMGC-NRFANRHFSA-N 462.598 2.148 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H]2CCCCN2CCC)CC1 1588749755 AEBZPPKEXCORDZ-RCZVLFRGSA-N 458.651 2.338 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@H]2CC=CCO2)CC1 1588763451 XVGIGOQWJLWADS-LJQANCHMSA-N 453.543 2.071 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CCS(=O)(=O)CC1 1589545085 LIVMCWHSBPPALL-QRWLVFNGSA-N 452.527 2.363 30 10 JEEE C=C(Cl)Cn1c([C@@H](C)OCCOC)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1593817334 AEWJATJNOSRFSW-CVEARBPZSA-N 459.975 2.485 30 10 JEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1594812576 HRDVDFOLGNZRPI-GOSISDBHSA-N 490.586 2.008 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccc(C)o1)N1CCOCC1 1595219189 RPGFGRQFDAPYKO-VQTJNVASSA-N 475.615 2.334 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CSc2ccccc21 1595303265 ORVMJDJVUBANGQ-MJGOQNOKSA-N 493.655 2.139 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(Cl)=C(Cl)C1 1595506963 RVFPIHQRIYBCIN-UHFFFAOYSA-N 460.329 2.122 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCC[C@@H](CNC(C)=O)C2)cc1 1595607984 NZXBYVJZRGVITF-NRFANRHFSA-N 466.586 2.480 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCC(CN2CCOCC2)CC1 1595805340 NKPHAUKDFCGOJW-UHFFFAOYSA-N 491.633 2.157 30 10 JEEE C=CCS(=O)(=O)CCn1c(CSc2ccccc2OC)nnc1N1CCO[C@]2(CCOC2)C1 1595830584 DKWMWDBBANAWDO-JOCHJYFZSA-N 494.639 2.176 30 10 JEEE CC(C)N(CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@@](F)(C#N)C1)C(C)C 1608032873 BDDQCZPDZYCXAC-JOCHJYFZSA-N 452.542 2.482 30 10 JEEE C[C@H]1CN(CCCn2c(CN3CCCC3=O)nnc2N(C)Cc2cccc(C#N)c2)C[C@H](C)O1 1612994581 AYZPNYZLQBLVPN-PMACEKPBSA-N 465.602 2.408 30 10 JEEE C#C[C@H](NC(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@H]1CCS(=O)(=O)C1)c1ccc(Cl)cc1F 1635191417 HHWAQTMNUNFQMB-MKSNKDDYSA-N 454.951 2.379 30 10 JEEE C=CCn1c(S)nc2cc(C(=O)N[C@@H]3CCCN(c4nc(C)cc(O)n4)C3)ccc2c1=O 1638189910 BHXHXXIBKXPGTH-OAHLLOKOSA-N 452.540 2.074 30 10 JEEE C#CC[C@]1(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2O)CCCN1C(=O)OC(C)(C)C 1649131237 VBYCINHWHWKMBP-SEPYTNNBSA-N 451.564 2.266 30 10 JEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@H]1CCCN(Cc2ccccc2)C1 1689910852 SCAURNKXPKXRQX-CTNGQTDRSA-N 458.632 2.403 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CC1CCC(OC)CC1)[C@H]1CCS(=O)(=O)C1 1689992346 JSSMQGBTMYQSJN-CKHPTIKVSA-N 457.600 2.096 30 10 JEEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CC=CCC1)[C@H]1CCS(=O)(=O)C1 1689996763 NYHJOAXGEHCKMT-MSOLQXFVSA-N 473.624 2.253 30 10 JEEE C#CCN(CCOC)c1nnc(COc2ccc(F)cc2)n1C[C@@H]1CCCCS1(=O)=O 1690108193 RSLRWLMZQJEEDM-IBGZPJMESA-N 450.536 2.050 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2C[C@@]2(O)CCSC2)CC1 1690117631 PQUKSOFXAWKBDW-NRFANRHFSA-N 492.443 2.339 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2CC[C@@H]2CCO[C@@H](C)C2)CC1 1690152736 WIUJINDQDMCVKT-RBUKOAKNSA-N 498.653 2.441 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(OCCC)nc2)CC1 1690410976 BZHSMZBWCOAQLZ-FQEVSTJZSA-N 490.630 2.246 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1690670697 HHWSVPKDFAVIST-KZNAEPCWSA-N 462.595 2.214 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC(OC[C@H]2CCCCO2)CC1 1690672929 IIPLOJBZHQOKKM-OAQYLSRUSA-N 454.575 2.121 30 10 JEEE C=CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(C(=O)NC)CC1 1690744995 VWXIFTDPBBMDEE-UHFFFAOYSA-N 470.647 2.334 30 10 JEEE C[C@@H]1CN(CCCn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H](CC(N)=O)C2)CCCO1 1693836097 FECPQONVTSZAPV-CTNGQTDRSA-N 465.602 2.409 30 10 JEEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(NC(=O)N(C)C)cc1 1705555847 BWHOHFTZVQDDTO-UHFFFAOYSA-N 451.556 2.481 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1sccc1C)[C@H]1CCS(=O)(=O)C1 1705559943 CEDRTTLTJDAEQT-AVRDEDQJSA-N 478.640 2.364 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(Br)cn2C)n1C[C@@H](C)CN1CCOCC1 1705591480 CZFIAZGIBRTQEM-SFHVURJKSA-N 473.419 2.477 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(Br)cn2C)n1C[C@H](C)N1CCOCC1 1705591569 FOOMWHPXZQCUTA-KRWDZBQOSA-N 459.392 2.230 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H](C)N2CCC(C)CC2)CC1 1705644247 JWASVELVFDHZIZ-HXUWFJFHSA-N 485.677 2.283 30 10 JEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1705663729 OXNULGKRCRVETI-IRXDYDNUSA-N 462.620 2.116 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 1705737608 WAJBDBIDFKLKMX-HZPDHXFCSA-N 466.526 2.321 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCOc2cccc(Cl)c2)CC1 1705769156 KMCBRWAPDCFVTB-LJQANCHMSA-N 482.006 2.500 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)COCC)CC1 1705781506 BHQYTTJJEVHZRF-GOSISDBHSA-N 455.625 2.076 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(Cl)c2c(c1)OCCO2 1706746500 BOOUKEIOVQMLLC-ZFWWWQNUSA-N 465.963 2.391 30 10 JEEE CC[C@H](C)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CCC(=O)N1CCOCC1 1708540409 BNXXBXXUDRYQBQ-FQEVSTJZSA-N 465.602 2.234 30 10 JEEE N#C[C@]1(F)CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCC2(O)CCOCC2)C1 1712874773 BUQYXUAOYFYBLT-OAQYLSRUSA-N 476.940 2.235 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCCCN1CCC)[C@@H]1CCS(=O)(=O)C1 1722366201 HGONKKMTGGYWRD-NJDAHSKKSA-N 463.648 2.063 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCCC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1722367057 LSNCLFJXJNVXPE-VQTJNVASSA-N 450.605 2.006 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1nc(C(C)(C)C)cs1 1722429423 QTDWIKUTLJBMFI-MRXNPFEDSA-N 465.645 2.263 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1722440527 AYWVNLXELORJSC-BHDDXSALSA-N 456.635 2.210 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@H](C)N2CCC[C@H](C)C2)CC1 1722449766 YVHXGFGMEFHNDS-SFTDATJTSA-N 463.630 2.350 30 10 JEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCCN(C(=O)c2ccccc2F)CC1 1722461547 HILIGPFXIZCXQQ-UHFFFAOYSA-N 484.601 2.259 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@H](C)CS(=O)(=O)CC 1722491298 JUQGIKXYQVOGNJ-LMMKCTJWSA-N 476.603 2.166 30 10 JEEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1722535841 PBNYAKSPZYUGFS-VXKWHMMOSA-N 457.623 2.279 30 10 JEEE C=C(Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1)c1ccccc1 1722537889 HCMSSRVOXIRVCZ-LJQANCHMSA-N 474.631 2.238 30 10 JEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccccc2N2CCOCC2)CC1 1722574693 PWIHKNKSLWVYTH-SFHVURJKSA-N 474.631 2.176 30 10 JEEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1nccc(C(F)(F)F)n1)C1CC1 1722646015 CJAFTFQSRNIEPQ-GFCCVEGCSA-N 459.498 2.095 30 10 JEEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2ccc(OC(F)F)cc2)C1 1722683029 ZTEIBJOZSYMLAZ-CJNGLKHVSA-N 457.503 2.254 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CCN(c2cnccn2)CC1 1722693998 IDGWNKIXFXYJMO-UHFFFAOYSA-N 489.403 2.188 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Br)c2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1722724260 RNBMUHRVJFLLDA-HOTGVXAUSA-N 497.371 2.423 30 10 JEEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1722742795 HHFRXLRVLPHOCF-UHFFFAOYSA-N 459.620 2.247 30 10 JEEE CC(C)CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCS(=O)(=O)C1)C1CC1 1723386670 DGUQYTHEWZFUAM-HSZRJFAPSA-N 473.599 2.293 30 10 JEEE CCC[C@H](C)C(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](C#N)C1 1727930219 GBNFOLJBLYFJNM-PXNSSMCTSA-N 451.531 2.010 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CCN1CCN(C(C)=O)CC1 1740541478 AFEIAAJCJJEUOB-IBGZPJMESA-N 468.602 2.363 30 10 JEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(=O)c2ccccc2C)CC1 1740567717 VFHHWZFMCQJQBY-LJQANCHMSA-N 486.642 2.399 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1C[C@H](c1c(F)cccc1F)N(C)C)[C@@H]1CCS(=O)(=O)C1 1740623750 AFNULSNMFIGAOM-YLJYHZDGSA-N 477.581 2.438 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1C[C@@H]1C[C@@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1740652568 FIRWNVVCNBOCOW-HLAWJBBLSA-N 479.585 2.166 30 10 JEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(C)cc2OCCOC)CC1 1740699154 WILXNIQVWPJUAB-UHFFFAOYSA-N 477.613 2.277 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CC(C)(C)N2C[C@@H](C)O[C@H](C)C2)CC1 1740704827 YPIXCQSCMDGTOS-WOJBJXKFSA-N 479.629 2.194 30 10 JEEE C#CCSCCn1c(Cc2ccsc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1740720977 SNZRTCMJAQVWJQ-LJQANCHMSA-N 458.657 2.040 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](Cc2ccccc2)C1 1740810491 DASYKNSKWUIVAI-OALUTQOASA-N 466.007 2.433 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(OC)C1 1740850234 DJWMPPBEKYZWAC-UWJYYQICSA-N 455.625 2.219 30 10 JEEE C=CC[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](OC)[C@H](OC)C1)c1ccccc1 1740856801 XJXWPDAILLOMRG-JSXRDJHFSA-N 460.600 2.390 30 10 JEEE C=CCCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(C(=O)NC)CC1 1740858759 ZOJUJJMTSOUTGA-UHFFFAOYSA-N 474.635 2.364 30 10 JEEE C=CCOc1ccc(Cn2c(Cc3ccsc3)nnc2N2CCO[C@H](C(=O)NC)C2)cc1 1740967636 MJYKERTYXDNAIR-FQEVSTJZSA-N 453.568 2.495 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2cnn(C)c2)C1 1740981528 PJSXHTLPZGYNGL-OALUTQOASA-N 473.578 2.150 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1740984544 DQMLYLIZXXXLSZ-AVRDEDQJSA-N 478.640 2.210 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CC[C@H](COC)C1 1740987447 TVEMEFPCRGSCDQ-KRWDZBQOSA-N 456.572 2.409 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1740989491 OMPPLLHIPGNKKM-UHFFFAOYSA-N 486.598 2.057 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 1740992242 CVISHPWWHSRIRL-FQEVSTJZSA-N 487.548 2.394 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CC12CCOCC2 1748651882 SSCRPFOWDQEQEA-IEBWSBKVSA-N 457.600 2.470 30 10 JEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1748719163 VSRSXFRTCJHCFT-MOPGFXCFSA-N 467.636 2.198 30 10 JEEE C#CCCCCn1c(N2CCN(C(=O)N3CCCCC3)CC2)nnc1[C@@]1(OCC)CCOC1 1748730892 QRMFQJHQNRAYBZ-XMMPIXPASA-N 458.607 2.462 30 10 JEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1748759329 GQRXUTKKZOHUCP-UHFFFAOYSA-N 480.554 2.313 30 10 JEEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1OC1CCCC1 1748790205 GCTAJYCUSDGDOM-OAQYLSRUSA-N 473.599 2.050 30 10 JEEE C#CCN(c1nnc([C@H](C)OCCOC)n1Cc1ccc2c(c1)CCCO2)[C@H]1CCS(=O)(=O)C1 1748805803 WKCFQSPWXJOKEQ-RXVVDRJESA-N 488.610 2.002 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1Cc1cccnc1OCC)[C@@H]1CCS(=O)(=O)C1 1748810090 RWCKWGCBAHYLCR-OAQYLSRUSA-N 476.562 2.285 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1Cc1ccccc1OC)[C@H]1CCS(=O)(=O)C1 1748818806 GVDFVHSVSYDHLO-IBGZPJMESA-N 471.608 2.317 30 10 JEEE CC(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCCN2CCC[C@@H]2CO)CC1 1749831803 KBOWBCKSVBSDLV-HSZRJFAPSA-N 465.602 2.112 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1ccc(C(N)=O)nc1 1760112822 MPRUUCVEALXQND-FUHWJXTLSA-N 467.574 2.393 30 10 JEEE C#CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1760152590 RDFTUPPSFDUFDG-YLJYHZDGSA-N 478.553 2.010 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC1(O)CCCCCC1)[C@H]1CCS(=O)(=O)C1 1760186417 CMCIKRUAJFSBLH-OALUTQOASA-N 450.605 2.232 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H]2CCC[C@@H]2OC)CC1 1760261482 MMYYTMNSOPNHAX-HKBOAZHASA-N 488.633 2.157 30 10 JEEE C=C(Br)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C(=O)COC)CC1 1760303070 ACLPTQHAKDTHBU-UHFFFAOYSA-N 480.363 2.166 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N(CC)CCS(C)(=O)=O 1760324140 IUZCLSFQRPGFKL-LPHOPBHVSA-N 453.634 2.486 30 10 JEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1C(F)(F)F 1760464755 OFXFLEOEQWKXSJ-MRXNPFEDSA-N 459.494 2.300 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(OC)nc2ccccc12 1760495129 FYRWPAICDQGBHJ-OAQYLSRUSA-N 498.609 2.395 30 10 JEEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 1760506987 YIHGZQKVSDNGOK-KBPBESRZSA-N 454.622 2.406 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@H]2OCCC[C@H]2C1 1760514994 IVVAXHUFBIZODT-WMLDXEAASA-N 463.380 2.354 30 10 JEEE CC(C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@@]1(N(C)C)CCSC1 1760932036 HMXYGWYGGHAQNQ-VGSWGCGISA-N 455.636 2.216 30 10 JEEE CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 1766244825 CQPKZYCMQQPAKS-GOSISDBHSA-N 464.530 2.427 30 10 JEEE CCO[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCOc2ncccc2Cl)CCOC1 1767438162 DGTXRTYHTZQSBX-VQTJNVASSA-N 450.902 2.500 30 10 JEEE C=CCNC(=O)[C@H]1CCCN1C(=O)c1ccc2c(c1)C(=O)N(Cc1ccc3c(c1)OCO3)C2=O 1861508390 OBRCADFCNSPKJF-LJQANCHMSA-N 461.474 2.118 30 10 JEEE C=CCN(CC=C)C(=O)[C@@H](CCCC)NC(=O)CNC(=O)c1cc(OC)c(OC)c(OC)c1 1862131752 LPYRNOMQOGHAOG-GOSISDBHSA-N 461.559 2.318 30 10 JEEE C=CCOc1ccccc1[C@H]1C(C(=O)NCCCN2CCCC2=O)=C(N)Oc2c1c(CC)nn2C 1864323387 KHKGRKBRZBTBNF-OAQYLSRUSA-N 479.581 2.371 30 10 JEEE Cc1cc(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)Nc2ccccc2C#N)cc(S(N)(=O)=O)c1 1867237818 PDXAVUBKWFHZQQ-QFIPXVFZSA-N 478.530 2.200 30 10 JEEE C=CCN(CC=C)C(=O)CNC(=O)c1cc(-c2ccc(Cl)cc2)n([C@@H]2CCS(=O)(=O)C2)n1 1868622866 YSJKILOVNNNIAW-GOSISDBHSA-N 476.986 2.494 30 10 JEEE CS(=O)(=O)Nc1ccc(C(=O)Nc2c(C#N)nnn2Cc2cc(Cl)cc3c2OCOC3)cc1 1870107458 JQVLBGAYPREMKW-UHFFFAOYSA-N 488.913 2.342 30 10 JEEE C=CCn1cc(OCC(=O)Nc2ccc(OCC)cc2)c(=O)cc1CSc1nnnn1C 1870194656 FXVURWQQVTTZHB-UHFFFAOYSA-N 456.528 2.266 30 10 JEEE C=CCn1cc(OCC(=O)Nc2ccc(C(C)=O)cc2)c(=O)cc1CN1CCC(CO)CC1 1870399669 XWNQTVLGHPFHLU-UHFFFAOYSA-N 453.539 2.459 30 10 JEEE C=CCn1cc(OCC(=O)Nc2nc(C)c(C(=O)OC)s2)c(=O)cc1CN1C[C@H](C)O[C@@H](C)C1 1870585823 GOMUYQNNMPVPDT-GJZGRUSLSA-N 490.582 2.213 30 10 JEEE C=CCn1cc(OCC(=O)Nc2ccccc2OC)c(=O)cc1CN1CCC2(CC1)OCCO2 1870747733 MTZIKEKWDNLXEP-UHFFFAOYSA-N 469.538 2.399 30 10 JEEE C=CCN(CC=C)c1nc(=NCc2ccc(S(N)(=O)=O)cc2)nc(Nc2ccc3n[nH]cc3c2)[nH]1 1871629254 CJDPRSWQZVMYMR-UHFFFAOYSA-N 491.581 2.351 30 10 JEEE C=CCN(CC=C)c1nc(=NCCN2C(=O)CSC2=O)[nH]c(=Nc2cccc(Cl)c2)[nH]1 1871648657 SKRGXIHONFTQRG-UHFFFAOYSA-N 459.963 2.398 30 10 JEEE COc1ccc(Cc2nnc(SCC(N)=O)n2/N=C/c2ccccc2[N+](=O)[O-])cc1OC 1874238262 ZDIUGUDAQMWUQW-SSDVNMTOSA-N 456.484 2.254 30 10 JEEE CC(C)N1C(=O)CS[C@H](C(=O)N2CCC(C[C@H]3NC(=O)N(C)C3=O)CC2)[C@H]1c1ccc(C#N)cc1 1890121949 RVDJMRBEROCIMR-FCEUIQTBSA-N 497.621 2.131 30 10 JEEE N#Cc1ccnc(OC[C@H]2CCCN(C(=O)[C@@H]3CC(=O)N(c4ccc5c(c4)OCCO5)C3)C2)c1 1891499536 MEXBSMGBQAIOBH-RBUKOAKNSA-N 462.506 2.395 30 10 JEEE CC(C)(C)OC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2180991915 UARYKJWILXVTSD-HNNXBMFYSA-N 464.372 2.423 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H]1CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2247882697 SZYYBZFIRUQFIY-CYBMUJFWSA-N 458.411 2.335 30 10 JEEE CC(C)(C)OC(=O)NCCONS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2247953398 SQCPFLJJMZKBJC-UHFFFAOYSA-N 482.817 2.435 30 10 JEEE CC[C@H](CN(C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)c(C)nn1C)NC(=O)OC(C)(C)C 2267145703 IJOKUJRPLKWODM-OAHLLOKOSA-N 450.389 2.403 30 10 JEEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(B3OC(C)(C)C(C)(C)O3)c2)CC1 2267472811 WFLQZYRGYBOJOV-UHFFFAOYSA-N 470.372 2.366 30 10 JEEE CCn1cc(C(=O)NC[C@H](NC(=O)OC(C)(C)C)C(C)C)nc1B1OC(C)(C)C(C)(C)O1 2267498442 UOOGILYDRJKITE-HNNXBMFYSA-N 450.389 2.481 30 10 JEEE CN(C[C@H](O)CNC(=O)OC(C)(C)C)c1ccc([N+](=O)[O-])c(B2OC(C)(C)C(C)(C)O2)c1 2267779856 YHWGGPPVNZCCNT-OAHLLOKOSA-N 451.329 2.216 30 10 JEEE C[C@H](c1nscc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C 2268789774 DGDWNJPWBRMDGE-HIFRSBDPSA-N 469.413 2.237 30 10 JEEE Cn1cc(C(=O)NC[C@@H]2CC(C)(C)CN2C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2281979178 BNHLXUPZRRXUPU-HNNXBMFYSA-N 462.400 2.485 30 10 JEEE Cc1c(C(=O)N2C[C@@H]3CC[C@@]3(NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281979479 NTBLBMKWSFOXRD-NPMXOYFQSA-N 460.384 2.157 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H]([S@](C)(=O)=NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2282013524 AQDXQPLCQIJDFG-CAROCFPZSA-N 480.396 2.023 30 10 JEEE CN(C(=O)c1nn(C)c(Cl)c1B1OC(C)(C)C(C)(C)O1)[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2282050439 MIRHFROHYBYXCB-VIKVFOODSA-N 480.802 2.310 30 10 JEEE CCn1cc(C(=O)N2C[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)nc1B1OC(C)(C)C(C)(C)O1 2282051589 UYGOSOMLEYBFPY-BGYRXZFFSA-N 450.392 2.406 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@@](NC(=O)c3ncncc3B3OC(C)(C)C(C)(C)O3)(C2)C1 2282191234 MLFSXTBHJNFTKR-NPMXOYFQSA-N 458.368 2.295 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C[C@H]1O 2282192031 RSKBSZFZFINLDU-ATZDWAIDSA-N 460.380 2.380 30 10 JEEE CN(C1(CNC(=O)OC(C)(C)C)CCC1)S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282303678 ZOROZTUMTFPZEO-UHFFFAOYSA-N 481.424 2.449 30 10 JEEE C[C@@H]1CC[C@H](NC(=O)C(F)(F)F)CN1S(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2282345502 PMBYGCPSZOZRDJ-HIFRSBDPSA-N 476.326 2.206 30 10 JEEE CC1(C)OB(c2ccc(S(=O)(=O)N3CC[C@](C)(NC(=O)C(F)(F)F)C3)c(Cl)c2)OC1(C)C 2282499576 DQYGLGVNGMVGNU-SFHVURJKSA-N 496.744 2.471 30 10 JEEE CC1(C)OB(c2csnc2C(=O)N2CC[C@](CNC(=O)C(F)(F)F)(C3CC3)C2)OC1(C)C 2282521547 YJCZZQHNOIDVOZ-LJQANCHMSA-N 473.326 2.363 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC2(NC(=O)OC(C)(C)C)COC2)c1 2282553857 VGFQFBIAWXCEAS-UHFFFAOYSA-N 462.352 2.018 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1(C)C 2283071652 HMFYLJDFSDPNCH-HUUCEWRRSA-N 460.384 2.445 30 10 JEEE CCOC1(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)c(C)n2)CN(C(=O)OC(C)(C)C)C1 2283955578 MGSDDBNXPQLWLP-UHFFFAOYSA-N 462.356 2.049 30 10 JEEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](CC(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)O1 2283976298 BOMIWIJFKSAJFM-CABCVRRESA-N 481.424 2.473 30 10 JEEE Cc1c(C(=O)N2C[C@@H]3C[C@]3(CNC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2288269291 SGBSEHPZRGAGIE-WNSKOXEYSA-N 460.384 2.015 30 10 JEEE CCCCCCCCCCOC(=O)C[C@@H]1C(=O)NCCN1C(=S)NC(=O)C=CC(=O)OCC 2313717213 MASZHXHKWAGJDY-GOSISDBHSA-N 483.631 2.381 30 10 JEEE COc1nc(OC[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)ccc1B1OC(C)(C)C(C)(C)O1 2339826149 UIGFDIZJCXKRFN-HNNXBMFYSA-N 450.341 2.404 30 10 JEEE CC(C)(C)OC(=O)NC1(C(=O)N2CCc3scc(B4OC(C)(C)C(C)(C)O4)c3C2)CC(O)C1 2361639972 PYDORHUXCUYQFA-UHFFFAOYSA-N 478.420 2.350 30 10 JEEE Cn1cc(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 2361660984 RFZQYSGOWZVQDV-HXUWFJFHSA-N 470.326 2.094 30 10 JEEE C[C@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)C[C@@H](C)[C@@H]1NC(=O)OC(C)(C)C 2362352984 HWHCYEBTBBGOJL-ZSHCYNCHSA-N 462.400 2.341 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@]2(NS(=O)(=O)c3cncc(B4OC(C)(C)C(C)(C)O4)c3)CC[C@H]1C2 2369644806 MAXLLDSBSWMNFN-KSFYIVLOSA-N 479.408 2.201 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(CC(=O)Nc4c(C)cccc4C)CC3)cc2C1=O 18126762 PBMHSVJBEXBTFK-UHFFFAOYSA-N 460.534 2.482 30 10 JEEE C=CCN(CC(=O)Nc1ccc(N2CCN(C(=O)c3ccccc3F)CC2)cc1)C(=O)COC 36013368 WFWSJQATLWPTGH-UHFFFAOYSA-N 468.529 2.388 30 10 JEEE CCOC(=O)c1ccc(N2CC(=O)C(c3nc4cc(N5CCN(C)CC5)ccc4[nH]3)=C2N)cc1 170178833 HLBRXWSTPQELSD-UHFFFAOYSA-N 460.538 2.208 30 10 JEEE COc1ccc(N2CCCC2=O)cc1S(=O)(=O)N(CCNC(C)=O)Cc1ccc(C#N)cc1 586151366 LZUVLUFIXYFSPG-UHFFFAOYSA-N 470.551 2.021 30 10 JEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccc(F)c(Cl)c1 729669403 OWSQCRHQTBNKLP-UHFFFAOYSA-N 479.924 2.144 30 10 JEEE CC#CC[C@@H](NC(=O)[C@@H](CN(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 757211731 OESJPWCOBGLLMC-DHIUTWEWSA-N 463.534 2.438 30 10 JEEE C#CCN(CC(=O)N1C[C@@H](C)O[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1)C(=O)OC(C)(C)C 1176852760 LMNZJWWFTNQRED-UZUQRXQVSA-N 451.564 2.484 30 10 JEEE C#CCCCn1c(COc2ccccc2OCC)nnc1N1CCCN(S(C)(=O)=O)CC1 1286358052 RXOBHPAUAGFYAX-UHFFFAOYSA-N 461.588 2.141 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2cccc(C)c2C)n1Cc1nncn1CC)[C@@H]1CCS(=O)(=O)C1 1286385965 RSEPKTFPDUYBGH-WOJBJXKFSA-N 497.625 2.321 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@](C)(OC)C1CC1 1286410677 VNIMLOPYVSUFKP-YADARESESA-N 457.575 2.474 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@]2(C)COCCO2)CC1 1286473436 SICKCRZKWUCRHT-OAQYLSRUSA-N 460.376 2.268 30 10 JEEE C#CCN1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@@H]2CC(=O)N(CCOC)C2)CC1 1286484513 PONBMRAYQLXZNB-OAQYLSRUSA-N 482.654 2.129 30 10 JEEE C#CCSCCn1c(-c2ccc(C)o2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1286499633 SWOHHKPIKHMTAI-UHFFFAOYSA-N 456.616 2.347 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2cc(OC)c(C)cc2C1 1286509961 ZEKIOJUEFYUKCF-GOSISDBHSA-N 460.625 2.426 30 10 JEEE C=C(Br)Cn1c(-c2cnccn2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1286537649 AQTRLBMYVZOVFR-UHFFFAOYSA-N 452.320 2.237 30 10 JEEE C=CCCOCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@H](C(=O)NC)C1 1286709633 ACUSBAZYNJZXTI-INIZCTEOSA-N 451.531 2.149 30 10 JEEE C=CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCN1CCSCC1 1286730321 RTXPBUNLRZZUIZ-UHFFFAOYSA-N 455.676 2.314 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](c2ccc(F)cc2)O[C@H](C)C1 1286781558 UHPPSSTYNXZEEA-VQIMIIECSA-N 479.516 2.333 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CC[C@](O)(Cc2cccc(Cl)c2)C1 1286787587 HGPJGKVGJPDFBT-MBSDFSHPSA-N 459.978 2.312 30 10 JEEE C=CCSCCn1c(N2CCC(S(C)(=O)=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1286835270 QZDWTZGMICLQKS-HXUWFJFHSA-N 458.650 2.251 30 10 JEEE CCC(O)(CC)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1292271549 BRRFEZCYIOBBNE-HXUWFJFHSA-N 452.559 2.195 30 10 JEEE CN1CC[C@@](O)(Cn2c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CCC(C#N)CC2)C1 1298881569 HPRWLYWQLIHNPF-CYFREDJKSA-N 473.622 2.199 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2CC2CCS(=O)(=O)CC2)c1 1300332420 FLYTTXXOSTYCQW-UHFFFAOYSA-N 466.567 2.154 30 10 JEEE C#CCN1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCCC(=O)NC2CC2)CC1 1300699393 CIDFWPAASOIPEA-UHFFFAOYSA-N 499.660 2.207 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Br)n2CCOCCOC)CC1 1300719072 NSEUBUMDQBTYAW-UHFFFAOYSA-N 490.402 2.336 30 10 JEEE C#CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@]2(CNC(=O)C2)C1 1300741048 KWKATSWEFFFVBA-IBGZPJMESA-N 463.405 2.129 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(C#N)cc1 1300872873 HMPZTLBBGIDVLG-AHRSYUTCSA-N 458.588 2.378 30 10 JEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cscc1C(F)(F)F 1301296128 FQXOWGBOVFQKMJ-CQSZACIVSA-N 465.523 2.362 30 10 JEEE Cn1cc(CNC(=O)NCc2c(F)cccc2NS(C)(=O)=O)c(-c2ccc(C#N)cc2)n1 1312480066 ICJPTCGWYPYUMU-UHFFFAOYSA-N 456.503 2.469 30 10 JEEE CN(c1nnc(-c2ccc(C#N)cc2)n1CC(=O)NCC(F)F)[C@@H]1CCCc2c1cnn2C 1314683047 DYXPEWOZUOACLV-QGZVFWFLSA-N 454.485 2.445 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H](C(C)C)N1CCOCC1 1358885933 UNFBAODENHFXMV-NQIIRXRSSA-N 463.586 2.007 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccc(OC2CCCC2)cc1)[C@@H]1CCS(=O)(=O)C1 1358955282 JCXXVFITIPPSNR-HXUWFJFHSA-N 499.637 2.413 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1C[C@H](CC)OC)[C@H]1CCS(=O)(=O)C1 1358957461 UXWZEWQXJQWCOP-HOTGVXAUSA-N 484.420 2.098 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCN/C(O)=C1/N=CC=CC1=O 1358976390 CGMLHGQBXWWPDE-GYHWCHFESA-N 467.489 2.199 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC[C@H]2COCCO2)CC1 1359042937 ZWRSOTBSNBTTMG-IBGZPJMESA-N 487.988 2.378 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](c2ccccc2Cl)N(C)C)CC1 1359044549 IQHIRYDJIDQNBT-NHCUHLMSSA-N 498.031 2.151 30 10 JEEE C=C(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1359120995 PZSGHIXTCCDZKQ-UHFFFAOYSA-N 471.587 2.420 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CCC(N2CCCNC2=O)CC1 1359334444 GAAKPGBHYIWKCG-UHFFFAOYSA-N 486.642 2.048 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCN(c2ccc(F)cn2)CC1 1359334714 OKPNOJHSVDZEID-UHFFFAOYSA-N 462.595 2.472 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@](C)(OC)C1 1359334758 PXZLZXKOZUUDHZ-JOCHJYFZSA-N 459.572 2.335 30 10 JEEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1ccc(OC)nc1OC 1507620453 FXUMHNMQHQQQPA-UHFFFAOYSA-N 475.597 2.173 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1CCN1CCCC(C)(C)C1)[C@@H]1CCS(=O)(=O)C1 1507631552 QOZOBSLXWAUNGD-HXUWFJFHSA-N 456.616 2.089 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC1(CCOCC)CC1)[C@@H]1CCS(=O)(=O)C1 1507633684 UOHKJVHHTLIMGC-MOPGFXCFSA-N 450.605 2.353 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCSC1(C)C)[C@H]1CCS(=O)(=O)C1 1507638143 DRQRTHSVIFDMJS-MOPGFXCFSA-N 476.672 2.298 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1Cc1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1507640772 VVVIRZOWQMEKEK-LJQANCHMSA-N 469.567 2.445 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@@H]1CCOC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1507641238 ZUUGJYIYSPZYKR-FHWLQOOXSA-N 476.574 2.296 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CCN(C(=O)OC(C)(C)C)C1CC1 1507659090 VTYPOKSDVUTBCP-UHFFFAOYSA-N 454.575 2.377 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1C[C@@]1(O)CCSC1 1507704180 RYLXPKHUVOSERE-SFHVURJKSA-N 454.394 2.000 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OCC)n2C[C@@H]2CCOC2)CC1 1507740931 HUDWAYOVQZHLBY-IBGZPJMESA-N 467.570 2.258 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2Cc2conc2COC)CC1 1507742965 TXCSKQGKSMQWHK-UHFFFAOYSA-N 466.517 2.157 30 10 JEEE C=CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21)c1ccccc1 1507924860 UVXYMZAZSXCUMY-KCLUMXDGSA-N 486.642 2.496 30 10 JEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C(F)(F)F)C1 1507955144 VPLQEEFKMVQUCR-GJZGRUSLSA-N 451.515 2.356 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@@H]1CCC[C@H]1OC 1513399970 GTIBBCDUOKOHBF-BBTUJRGHSA-N 495.632 2.388 30 10 JEEE CNC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ncnn2C(C)(C)C)C1 1517512434 FBBZDCVLCIEKLY-GOSISDBHSA-N 477.573 2.086 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](CC)Oc1cccc(F)c1 1539016743 VJJHIYMZRIOKAV-XKGZKEIXSA-N 479.578 2.066 30 10 JEEE C#CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCN(C(C)=O)CC1 1539071451 UHLRLWZCOSTNCP-FQEVSTJZSA-N 474.606 2.449 30 10 JEEE C#CCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1539104999 VPCVPKSLTNFKPY-UHFFFAOYSA-N 487.004 2.001 30 10 JEEE C#CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CCCN1CCCO 1539175766 ASFITJLIGVCZCD-VQTJNVASSA-N 460.623 2.309 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCCNc1ccccn1)[C@@H]1CCS(=O)(=O)C1 1539211664 JXGHTCVCEUHCRA-HXUWFJFHSA-N 480.594 2.478 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1cc(C(C)(C)C)no1)[C@H]1CCS(=O)(=O)C1 1539220457 JMOZEHMXKVSMIQ-IRXDYDNUSA-N 461.588 2.133 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](C)c2nc(-c3ccccc3)no2)CC1 1539428935 YFSXCOJIYJNSTI-SFHVURJKSA-N 462.558 2.025 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@H]2CCOC[C@H]2OC)CC1 1539463220 XOTZSYBJXHTDPV-QHAWAJNXSA-N 488.633 2.157 30 10 JEEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCSC(C)(C)C1 1540864250 TUBIKHPNFXLXHW-UHFFFAOYSA-N 477.660 2.181 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(CC(=O)NC)CC1 1540908923 ROFKLYSSKOOOSF-UYAOXDASSA-N 481.663 2.150 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCCN(c3ccccc3C#N)CC2)n1C[C@]1(O)CCO[C@H]1C 1545909413 GCBQUFODBBLRPU-AFMDSPMNSA-N 495.628 2.325 30 10 JEEE CCC[C@@H](C)NC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)NC)C1 1546895592 BSZRKLYUPKNEGC-XLIONFOSSA-N 451.575 2.474 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCNC(=O)c1cccs1 1587631434 CRGJKJNTBWZPAT-KRWDZBQOSA-N 464.599 2.402 30 10 JEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)Cc2ccccc2C)CC1 1587765867 MIASDELAGBILMS-JOCHJYFZSA-N 483.638 2.183 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC1(O)CCC1)[C@H]1CCS(=O)(=O)C1 1588028881 AHEDCPQCSDAXOU-WMZOPIPTSA-N 462.547 2.099 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCc1ccc(F)cc1Cl)[C@H]1CCS(=O)(=O)C1 1588054619 OONCXSWXLUSLDR-AEFFLSMTSA-N 466.966 2.444 30 10 JEEE C#CCN(c1nnc(COc2ccccc2CC)n1CCc1ccn(C)n1)[C@H]1CCS(=O)(=O)C1 1588069025 FQDQRDWLHDPXQJ-NRFANRHFSA-N 482.610 2.022 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCOC3)n2C[C@]2(O)CCCC2(C)C)n1 1588722578 DFTSXPRDQXXXTI-NTKDMRAZSA-N 456.591 2.206 30 10 JEEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2Cc2cccc(OCC(F)(F)F)c2)CC1 1588800458 HNJJIJZDWJGHCQ-UHFFFAOYSA-N 459.476 2.423 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1589530205 SVJAIYUVIMQTMX-ZOBUZTSGSA-N 467.496 2.165 30 10 JEEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)NCc2ccc(C)cc2)CC1 1589708875 XYROVSSYLDYRHS-SFHVURJKSA-N 474.631 2.306 30 10 JEEE C=C(C)COCCn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1593735517 JFAFTDJRTVEFJT-LJQANCHMSA-N 462.620 2.349 30 10 JEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OCC)cc1)C1CC1 1595058924 XEBILHJPAWLTQL-HXUWFJFHSA-N 461.588 2.213 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1595812295 QQCCGRSDQRQLJA-QYWGDWMGSA-N 481.644 2.007 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)[C@H]2CCCN(C(=O)COc3ccccc3)C2)C1 1624812920 AUGCLYIDPVLLLK-CMKODMSKSA-N 456.543 2.179 30 10 JEEE N#Cc1cnn(-c2ccccc2NC(=O)CN2CCN(C(=O)OCc3ccccc3)CC2)c1N 1627131843 CCIJMRXTQCDFMN-UHFFFAOYSA-N 459.510 2.219 30 10 JEEE C=CCNC(=O)c1ccc(NC(=O)CNS(=O)(=O)c2cccc(Br)c2)cc1 1630703616 DPQCRSARWVKDEP-UHFFFAOYSA-N 452.330 2.282 30 10 JEEE C#CCNS(=O)(=O)N1CCN(C(=O)c2csc(-c3ccc(Cl)c(Cl)c3)n2)CC1 1632960152 BIAONRHPEQHRIP-UHFFFAOYSA-N 459.380 2.342 30 10 JEEE Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@H]2CCN(CCN3CCOCC3)C2)cc1C 1633340031 AWZJETOGJZZXBQ-QFIPXVFZSA-N 450.587 2.217 30 10 JEEE CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)c1 1634193573 GIJZIXDIYWERFC-NHCUHLMSSA-N 456.568 2.177 30 10 JEEE N#Cc1ccccc1N1CCC(NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2O)CC1 1642168575 ASAJSBPJALTAKP-UHFFFAOYSA-N 454.552 2.447 30 10 JEEE C#CCN1CCN(c2nnc([C@H](CC)c3ccccc3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1690113354 HJFNLPVMWAMDGZ-CQGYNDIISA-N 473.581 2.102 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Cl)n2CCOCCN(C)C)CC1 1690140444 YXZSQGLNHJLABL-UHFFFAOYSA-N 458.994 2.143 30 10 JEEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2ccc(F)cn2)CC1 1690188693 NPGWWKOPRJHTSR-PXNSSMCTSA-N 460.579 2.229 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccc1 1690245287 GOCDSLLOXPXFTN-HBMCJLEFSA-N 475.615 2.229 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccc2F)nnc1N(C)CC(=O)N1CCOCC1 1690248191 LJXYRCJMPVSLDJ-XXBNENTESA-N 457.550 2.284 30 10 JEEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1690508947 SWWRJOJLWVSLHZ-BDTNDASRSA-N 474.650 2.001 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCO[C@@H]1c1ccccc1 1690527157 KGQOLVACXDHPFS-PCCBWWKXSA-N 475.615 2.401 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Br)s2)nnc1N1CCO[C@@H](COC)C1 1690717832 RWEJZNOVJFVDOQ-CYBMUJFWSA-N 491.433 2.222 30 10 JEEE CC(C)(C)Cc1nnc(N2CCN(c3ccccc3C#N)CC2)n1CC1(O)CCS(=O)(=O)CC1 1691177196 FOAQNMIVZQEKKH-UHFFFAOYSA-N 486.642 2.005 30 10 JEEE CC(C)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CCCC2)CC1=O 1692423529 CMTBRUHYLAUPLV-UHFFFAOYSA-N 484.626 2.479 30 10 JEEE CC(C)NC(=O)Cn1c(-c2cccn2C)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1692563092 BRUHHOOXBZRDBG-UHFFFAOYSA-N 460.586 2.392 30 10 JEEE CN(CCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)OC[C@@H]2C1)C(=O)OC(C)(C)C 1696812529 GPKYQHFEFYLTCB-SFHVURJKSA-N 467.530 2.324 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1cccnc1OC 1705591295 MXZLHSRNEHFRAI-UHFFFAOYSA-N 478.578 2.110 30 10 JEEE C=C(Br)Cn1c(N2CCN([C@H](C)c3nc(C)no3)CC2)nnc1[C@@]1(OCC)CCOC1 1705692331 GPDLEPDGVYJBNP-FOIQADDNSA-N 496.410 2.413 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1ncn(C)n1 1705884771 XUPXIXKYSLGHFS-KRWDZBQOSA-N 460.583 2.208 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 1705902787 JRDJBLWUSKDPOA-MOPGFXCFSA-N 471.537 2.361 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC[C@H](Nc3ccccc3)C2)nnc1[C@]1(OCC)CCOC1 1705909368 VCVIFEMQRRUAQU-RDPSFJRHSA-N 454.575 2.313 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cccnc1N1CCOCC1 1722277068 KEVQJPDBVACZMU-YADARESESA-N 454.575 2.057 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC1CC(OC(C)(C)C)C1 1722293367 CIGVXFJTMJVWSZ-LWSMDNFKSA-N 467.636 2.053 30 10 JEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](C(CC)CC)N1CCOCC1 1722350260 RNDWSTINYVZIAU-NRFANRHFSA-N 487.674 2.445 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@H]1CCCN1CC)[C@@H]1CCS(=O)(=O)C1 1722371781 LNCYJSKSTSDYFI-NHCUHLMSSA-N 471.627 2.277 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cccnc1OCC(F)(F)F 1722386946 CFQZSXLFLRGGEV-ROUUACIJSA-N 463.460 2.459 30 10 JEEE C#CCN(CC#CC)c1nnc(CSc2ccc(C)cc2)n1CC1(O)CCS(=O)(=O)CC1 1722401695 IJWIQDPFPZSMER-UHFFFAOYSA-N 472.636 2.281 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCNC(=O)c2ccco2)CC1 1722433445 VPPYSRQYEXGCFR-UHFFFAOYSA-N 470.480 2.325 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CC(C)(C)N2C[C@H](C)C[C@@H](C)C2)CC1 1722446127 NYSJLWAVXVWNCI-WOJBJXKFSA-N 480.661 2.401 30 10 JEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)CCC2CCCC2)CC1 1722458589 NZTIUBAYRRLWGD-IBGZPJMESA-N 458.632 2.215 30 10 JEEE C=CCCCn1c(N2CCN(CC(=O)N3CCCC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1722623832 YZOOHLIMLWAGKQ-DEOSSOPVSA-N 460.623 2.029 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@H](c2nccs2)C1 1722693381 LWUPSYWVDHATBZ-AWEZNQCLSA-N 478.376 2.372 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCc3cc(OC)c(C)cc3C2)nnc1[C@@]1(OCC)CCOC1 1722731106 DLUSWWVZIKUKAW-XMMPIXPASA-N 490.626 2.411 30 10 JEEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1CCCN1CCCO[C@@H](C)C1 1729618469 BEZOZUFLOVTDJL-OALUTQOASA-N 453.591 2.136 30 10 JEEE COCCN(CCC#N)c1nnc(-c2cccc(C#N)c2)n1CC1(O)CCN(C(C)C)CC1 1730761683 DOKTYGDPNWYPNU-UHFFFAOYSA-N 451.575 2.419 30 10 JEEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N(C)CC1CN(C(=O)OCc2ccccc2)C1 1740589386 XJAXFMFKKIIBDJ-HXUWFJFHSA-N 450.543 2.347 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CCCC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1740619641 QBNDLPWKETWXDS-AVRDEDQJSA-N 452.621 2.383 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccccc1-c1cnn(C)c1 1740678578 OOMJKGBUYVQXNA-UHFFFAOYSA-N 470.537 2.460 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2cnccc2OC)CC1 1740701125 VLXWOTRRRNDXOE-PUZFROQSSA-N 481.601 2.256 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2Cc2cccc(COC)c2)CC1 1740707181 SEALSXGPUAEEJX-UHFFFAOYSA-N 458.566 2.424 30 10 JEEE C=C(Br)Cn1c([C@H]2CCCCO2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1740743884 HRAWUEJXJADJQR-MRXNPFEDSA-N 494.394 2.485 30 10 JEEE C=C(Cn1c(C(=O)NC(C)C)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C)c1ccccc1 1740796542 BNQQFNZRXIKSLU-PZJWPPBQSA-N 468.602 2.497 30 10 JEEE C=C(Cl)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1740804856 GOBRXGBGDSADGH-QRWLVFNGSA-N 452.964 2.485 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N1CCN(CCOC)C(=O)C1 1740956343 KJKOYOUNSAGPPP-UHFFFAOYSA-N 498.584 2.410 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1740964064 GBCIFROKMZPEKB-SBUREZEXSA-N 459.522 2.073 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1740968365 IKSFPKWRPMDVNT-CTNGQTDRSA-N 468.602 2.186 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](COC(C)C)C1 1740988239 XZYRJZINAACDTJ-HXUWFJFHSA-N 459.572 2.048 30 10 JEEE CC(C)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](S(C)(=O)=O)C1)N1CCOCC1 1741310921 DPVGNPCTCKNZGU-FCHUYYIVSA-N 486.642 2.187 30 10 JEEE CCNC(=O)C1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(CC(C)C)C(=O)C2)CCC1 1746492088 AHGCIEMGYXZTAV-UHFFFAOYSA-N 463.586 2.428 30 10 JEEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1747412549 BKOJUFFMFZHDSV-GOSISDBHSA-N 455.544 2.327 30 10 JEEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCOC[C@@H]1CCCO1 1748785302 RAPLMQPCNYPCCG-SFHVURJKSA-N 450.543 2.330 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C/C=C/c1ccccc1)[C@H]1CCS(=O)(=O)C1 1748804068 COBMVJRFDLIMJZ-XNSNBUMYSA-N 470.595 2.270 30 10 JEEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1ccccc1N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1748805276 PWYZAHURCQHEBX-PZJWPPBQSA-N 471.627 2.303 30 10 JEEE C#CCN(c1nnc(-c2cn(C)c3ccccc23)n1C[C@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1748812559 WGWUYURQXOGSDQ-UZUQRXQVSA-N 455.584 2.225 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1Cc1cccc(C(OC)OC)c1)[C@H]1CCS(=O)(=O)C1 1748812588 XGAOFDKVYZAPAO-FQEVSTJZSA-N 483.594 2.250 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H](OC)c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1748818357 ASEAXDZWAVQOMJ-FGZHOGPDSA-N 483.569 2.417 30 10 JEEE C#CCN(CC#CC)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1748902435 OJJPSKMXEXGWGZ-NRFANRHFSA-N 479.027 2.236 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccc(C)cc1)N1CCCC1 1748962579 LSEFVAQELSGGOA-PKTZIBPZSA-N 485.654 2.412 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C2CCC2)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 1749127395 LKBRBKBIIQICJL-RTWAWAEBSA-N 481.663 2.404 30 10 JEEE COC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1)OC 1749343814 CAYXBUDTZHCSSQ-NSXLHWASSA-N 471.558 2.164 30 10 JEEE C=CCCCn1c(N2CCC([C@H]3NC(=O)N(C)C3=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1749440347 YLHWSRDFXCGYRR-JPYJTQIMSA-N 460.579 2.052 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCNC(=O)[C@H](C)CCC 1760113292 SFVSZLBDDLITEH-RTBURBONSA-N 452.607 2.462 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2Cc2cnn3ccccc23)c1 1760126671 FXMTWGZEFYTXEO-UHFFFAOYSA-N 470.537 2.169 30 10 JEEE C#CCCCCn1c([C@H]2COc3ccccc3O2)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1760138653 FBSCIECOMZCRNI-WIYYLYMNSA-N 454.552 2.221 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccn3C)n2Cc2ccc(OC)c(OC)c2OC)CC1 1760257710 FWTMHQBERDQOSQ-UHFFFAOYSA-N 450.543 2.113 30 10 JEEE C#CCSCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCc2nn(C)c(=O)cc2C1 1760285865 SZUWGRJBQKGGOI-UHFFFAOYSA-N 464.595 2.497 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCOC2(CCCC2)C1 1760315997 KYHHKJCUSHQYIB-KURKYZTESA-N 453.609 2.019 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1760357236 HCXOVVYUVGSPNK-DLBZAZTESA-N 467.617 2.116 30 10 JEEE C=C(C)COCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1760360097 QLBYHTMFORVJIL-FQEVSTJZSA-N 496.612 2.029 30 10 JEEE C=C1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CCCN(C)CCOC)CC1 1760388720 YMRMETSIWTVLEM-UHFFFAOYSA-N 461.636 2.363 30 10 JEEE C=CC[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(OCC(N)=O)CC1)c1ccccc1 1760418118 MUWZECVOTMOGEG-UYAOXDASSA-N 452.559 2.060 30 10 JEEE CCN1CCN([C@@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCOC(C)(C)C2)CC1 1765505347 AISFQBGSGYLJTK-FQEVSTJZSA-N 467.618 2.370 30 10 JEEE CCOCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1767734935 ANYBNJIHROKTAP-NRFANRHFSA-N 465.602 2.486 30 10 JEEE COC[C@@H]1CCCCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)C1 1770897313 GZLQUFZZSMVPQX-HXUWFJFHSA-N 488.614 2.017 30 10 JEEE CC(C)C[C@H](C(=O)N1CC[C@@H](NS(=O)(=O)c2ccccc2C#N)C1)N1C(=O)c2ccccc2C1=O 1858311786 DLZNFLATSZNXDW-WIYYLYMNSA-N 494.573 2.148 30 10 JEEE Cc1ccc(-c2nnc(N3CCN(CC(=O)[C@H](C#N)c4nc5ccccc5n4C)CC3)nc2O)cc1 1859428385 XMBRPLAHNYZKJQ-IBGZPJMESA-N 482.548 2.438 30 10 JEEE O=CC1CCN(C(=O)[C@H](CCOc2ccccc2)N2CCN(c3ccc([N+](=O)[O-])cn3)CC2)CC1 1860616659 KEMQNXXALFMFMC-QHCPKHFHSA-N 481.553 2.387 30 10 JEEE CCCCCCCCNC(=O)[C@H](CC(N)=O)NC(=O)c1ccc(=O)n(Cc2ccc(F)cc2)c1 1861253920 VUDCSWSTGMDEKF-NRFANRHFSA-N 472.561 2.486 30 10 JEEE CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccc(O)c(O)c1 1862607695 VLNUFBVBEDNKLV-OAQYLSRUSA-N 454.479 2.399 30 10 JEEE N#Cc1nnn(Cc2cccc(Cl)c2)c1NC(=O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1870110936 PBXFWGVXDROPDW-UHFFFAOYSA-N 479.840 2.384 30 10 JEEE N#Cc1c(NC(=O)COc2nonc2CC(=O)N(CCO)Cc2ccccc2)sc2c1CCC2 1872637030 NKRDRRNCCWOZMO-UHFFFAOYSA-N 481.534 2.073 30 10 JEEE C=CCn1c(C(=O)NC[C@H](c2ccc(O)cc2)N(C)C)cc2c(N(CCOC)CCOC)ncnc21 1873595851 VJDBHLMKDPBWSG-HSZRJFAPSA-N 496.612 2.455 30 10 JEEE COc1cc(/C=N/n2c(CNC(C)=O)nnc2SCCCO)ccc1OC(=O)c1ccccc1 1874435653 QOQZTUDQHJAGKX-AFUMVMLFSA-N 483.550 2.499 30 10 JEEE C#CCO[C@@H]1CCN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc(Br)cc2)C1 1891738004 LNMFDMXOWFRKCA-SJLPKXTDSA-N 455.374 2.243 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)NCCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2180972108 HUQCWQYKFCLVRJ-LJQANCHMSA-N 460.380 2.280 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](O)C[C@@H]1C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2185152257 VIEVQRZDZRGQPZ-RBUKOAKNSA-N 460.380 2.362 30 10 JEEE C=C(Br)CS(=O)(=O)N=c1cc[nH]cc1N1CCN(C(=O)OC(C)(C)C)CC1 2206215291 DPRJEQQNCIKHIW-UHFFFAOYSA-N 461.382 2.211 30 10 JEEE CC(C)(C)OC(=O)NCC[S@](C)(=O)=NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2247918313 IZPLUWCDQPNNOI-PMERELPUSA-N 459.399 2.205 30 10 JEEE CO[C@H]1CN(C(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C[C@H]1NC(=O)OC(C)(C)C 2255811988 VATHOWWBWLHLKO-CVEARBPZSA-N 452.382 2.411 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1COCCN(C(=O)c2csc(B3OC(C)(C)C(C)(C)O3)c2)C1 2255846959 UCUJYOXNZYDFEG-HNNXBMFYSA-N 452.382 2.413 30 10 JEEE Cc1sc(C(=O)NC[C@H](CO)NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1C 2255852810 IWSUHZCWDFSIEH-CQSZACIVSA-N 454.398 2.280 30 10 JEEE CC(C)C[C@@H](CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1)NC(=O)OC(C)(C)C 2267121073 SXQRDSYSVOUVDW-HNNXBMFYSA-N 450.389 2.389 30 10 JEEE COC1(CCNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)CN(C(=O)OC(C)(C)C)C1 2267279713 JMDPWIVDZSZTHG-UHFFFAOYSA-N 450.341 2.335 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@](O)(CCNC(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267499026 YFQHTXYTRGBHMF-QFIPXVFZSA-N 450.341 2.071 30 10 JEEE C[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2267717081 XEZIOSVAOZLQPI-YPMHNXCESA-N 482.355 2.267 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCO[C@@H](C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C1 2268716826 VRJLGDNJZFLNHE-UONOGXRCSA-N 467.397 2.131 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)CC[C@@H]1C(=O)NCc1sccc1B1OC(C)(C)C(C)(C)O1 2268786543 QRSCZXCSDGSIJF-GOEBONIOSA-N 466.409 2.424 30 10 JEEE C[C@H](NC(=O)c1cccc(F)c1B1OC(C)(C)C(C)(C)O1)C1(O)CN(C(=O)OC(C)(C)C)C1 2281783806 PTTXPPMSVRJWJK-AWEZNQCLSA-N 464.343 2.225 30 10 JEEE Cn1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2281965383 JMWTZANPDOFHEZ-MUJYYYPQSA-N 460.384 2.380 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2occc2B2OC(C)(C)C(C)(C)O2)[C@@]2(CCOC2)C1 2282034852 NNAXJQGVTDIGJX-WNSKOXEYSA-N 462.352 2.477 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H]([S@@](C)(=O)=NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2282189378 JMJULSQRLZDVQC-LHRCYKKBSA-N 480.396 2.023 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H](NS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282291032 XZZJHIFPQFFFTA-HOTGVXAUSA-N 485.387 2.007 30 10 JEEE CC1(C)OB(c2scnc2CS(=O)(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@H]3C2)OC1(C)C 2282493023 RGYWCERGFQMIIR-ICSRJNTNSA-N 489.472 2.478 30 10 JEEE Cn1cc(C(=O)N2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)nc1B1OC(C)(C)C(C)(C)O1 2282553114 PBVMBGSYJIDIHS-RUZDIDTESA-N 450.392 2.458 30 10 JEEE Cc1nn(C)c(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C)c1B1OC(C)(C)C(C)(C)O1 2282586240 WKGLMEYNRDRIFJ-GOEBONIOSA-N 462.400 2.261 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1[C@H]2CC[C@H]1CN(C(=O)OC(C)(C)C)C2 2282604173 PVFQKSXDBTXWDJ-HOTGVXAUSA-N 460.384 2.426 30 10 JEEE CC(C)(C)OC(=O)N1CCOCCN1S(=O)(=O)c1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2282832438 PAXNGKJOOGBOBM-UHFFFAOYSA-N 486.371 2.298 30 10 JEEE Cc1nc(NC(=O)c2cc(CNC(=O)OC(C)(C)C)on2)ncc1B1OC(C)(C)C(C)(C)O1 2283950365 KAIXKURVTUHPFM-UHFFFAOYSA-N 459.312 2.349 30 10 JEEE CCC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nc(C)n1C 2337271393 WFQPZWPNBLDDRB-HNNXBMFYSA-N 450.389 2.451 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CN(c3cc(B4OC(C)(C)C(C)(C)O4)c(F)cn3)C[C@@H]2[C@@H]1CO 2372001628 YYUYKTBYAHUUME-MPGHIAIKSA-N 463.359 2.184 30 10 JEEE COC(=O)c1ccc(/C=N/Nc2nnc(SCC(=O)Nc3ccc(F)c(F)c3)n2N)cc1 20913471 CCJUJCXIHBSIGR-NUGSKGIGSA-N 461.454 2.234 30 10 JEEE C/C(O)=N/S(=O)(=O)c1ccc(NC(=O)[C@H]2CCCN(c3ccc(-n4ccnc4)nn3)C2)cc1 62164729 TYHXLWAFTSVWBR-INIZCTEOSA-N 469.527 2.183 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H]1CNc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 204869735 ZHISWDNVLYYXGY-FUHWJXTLSA-N 489.426 2.482 30 10 JEEE CCn1cc(N=C2S[C@H](CC(=O)Nc3ccc(OC)c(Cl)c3)C(=O)N2CC(=O)NC)cn1 726117969 ICNDOSGRHXKBBF-MRXNPFEDSA-N 478.962 2.271 30 10 JEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(-c3ccc(F)cc3)c2)c(=O)n1Cc1ccccc1 728557494 NLYPDUZRQYVYPK-UHFFFAOYSA-N 485.544 2.088 30 10 JEEE CCOCCCn1c(=C(C#N)C(=O)N[C@H]2CCCC[C@@H]2C)sc(=Cc2cnn3ccccc23)c1=O 729671702 VWIMLGFPRSASMU-RXVVDRJESA-N 493.633 2.182 30 10 JEEE C#CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NO[C@H](COC)C(=O)O 757457331 QNCYAPBAUWFPHG-NHCUHLMSSA-N 452.463 2.064 30 10 JEEE C=CCn1cc(C=NNc2nnc(SCC(=O)Nc3nc4ccccc4s3)n2N)cn1 1084066992 WSQDVEORAUDHMB-UHFFFAOYSA-N 454.545 2.161 30 10 JEEE N#Cc1ccncc1N1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)CC1 1141568604 HLYIRZIRRSPSIH-UHFFFAOYSA-N 459.959 2.354 30 10 JEEE C#CC[C@@H](CCOC)NC(=O)N1CCN(CC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 1253778739 BQUUTVSSARDYEZ-INIZCTEOSA-N 456.465 2.279 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCCO3)n2CCCS(C)(=O)=O)c1 1286312278 VYTBYVUTVNKHHZ-IBGZPJMESA-N 459.572 2.011 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1CCN(C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1286386935 KASZQQGLUSAZEZ-HXUWFJFHSA-N 452.584 2.047 30 10 JEEE C#CCN(c1nnc(COc2ccccc2OC)n1C[C@]1(O)CCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1286397942 VNSTVINHKPEFJZ-KHCICDEESA-N 488.610 2.044 30 10 JEEE C#CCN(CC#CC)c1nnc(Cc2csc(C)n2)n1C[C@H](N1CCOCC1)C(F)(F)F 1286431073 RYFXHGCLGTUSLZ-SFHVURJKSA-N 466.533 2.360 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1CCNC(=O)c1ccc(C)c(F)c1 1286432981 FQATUAOORJSVIU-UNMCSNQZSA-N 467.545 2.343 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCc2c(C)noc2C)CC1 1286479671 IKCUEEFVTNFHKW-OAQYLSRUSA-N 499.616 2.189 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3CC)n2CC2(O)CC(OCC)C2)CC1 1286484683 VAZSHVFJBIGODS-UHFFFAOYSA-N 453.587 2.105 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2C[C@@H](C)CN2CCN(CC)CC2)CC1 1286490478 LYQRQVDCZSKUFK-NRFANRHFSA-N 469.678 2.175 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2sccc2C)CC1 1286494341 MBZLLOGTDFMJRU-ICSRJNTNSA-N 457.600 2.386 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1286567473 VNXSMOPQMJOPEM-KNQAVFIVSA-N 458.632 2.122 30 10 JEEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CN2CCOCC2)CC1 1286666504 JQWVGEYOZPHKNT-SFHVURJKSA-N 468.668 2.039 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N(C)CCNC(=O)C(C)C 1286782293 PXOSUPUAEAEVOW-UHFFFAOYSA-N 463.380 2.218 30 10 JEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1286790315 PUTAGASHFIWCTA-OAHLLOKOSA-N 461.592 2.039 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](COC(C)C)C2)cc1 1286797675 YWWXDBCSOYGUTB-IRLDBZIGSA-N 490.626 2.424 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Br)s3)n2CC(=O)N2CCOCC2)C1 1286802184 POUUPKNICYMMSX-CQSZACIVSA-N 482.404 2.409 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@](C)(OC)C1 1286818231 UUEZFIQBCVLNJW-QFIPXVFZSA-N 496.033 2.468 30 10 JEEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCCS2(=O)=O)CCCO1 1291278863 DKXOJHRYFVBJQI-FXAWDEMLSA-N 459.572 2.311 30 10 JEEE CCN(CCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@](C)(C#N)C1)S(C)(=O)=O 1295805484 FEIFPWKUCJCWAW-JOCHJYFZSA-N 474.587 2.475 30 10 JEEE C#CC[C@@H](CO)NC(=O)[C@H](NC(=O)OC(C)(C)C)c1ccccc1I 1298689315 HXHDDAKBEARLMF-SWLSCSKDSA-N 458.296 2.357 30 10 JEEE CN(CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1)CC(F)(F)F 1298697040 GVPSIBSIEVQTSW-UHFFFAOYSA-N 499.563 2.171 30 10 JEEE C#CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H]1CCCCS1(=O)=O 1300459215 PLPYIPHOYONMIQ-GOSISDBHSA-N 465.620 2.429 30 10 JEEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(CN2CCCC2=O)cc1 1300545131 LKFNYEOLLOEFIP-UHFFFAOYSA-N 455.566 2.383 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CC[C@@]2(CCOC2)O1 1300554031 XWNZDIHASRLPKA-MIOZMULLSA-N 469.586 2.460 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(OC)c(OC)c1OC 1300554780 JNKSNPHVJCGPQB-UHFFFAOYSA-N 474.521 2.462 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@](C)(O)c1ccco1 1300642649 LVQZXKWOQPUMFK-AOMKIAJQSA-N 475.546 2.168 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@H]2COCCO2)CC1 1300689311 UIGOOHRJMOYYSE-INIZCTEOSA-N 464.339 2.017 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2CC[C@@H]2COCCO2)CC1 1300691033 MUEHFCYTYIIHLQ-GOSISDBHSA-N 490.402 2.277 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2cccc(C)c2)nnc1N1CCN(CCOC)C(=O)C1 1300893138 XUVYWCHDPTYPTO-GBXCKJPGSA-N 469.586 2.442 30 10 JEEE C=CCC(C)(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCO[C@H](C(=O)NC)C1 1301149672 DFOKEDCMHKZOBH-IBGZPJMESA-N 479.585 2.228 30 10 JEEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 1301198171 YARCIJKRSFOBAB-RTWAWAEBSA-N 471.650 2.297 30 10 JEEE COC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(S(C)(=O)=O)CCCC2)C[C@@H](C)O1 1301372678 GSDIPLBVIMPUHT-YLJYHZDGSA-N 473.599 2.414 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(NC(C)=O)nc2)C1 1301568530 UKTDISLHVYZLSM-ZVDOUQERSA-N 456.547 2.185 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1301579598 XKQIFZFSICLGKG-IRXDYDNUSA-N 491.618 2.075 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccccc2F)CC1 1301589867 YZOJTUCYKGBACB-SFHVURJKSA-N 463.579 2.239 30 10 JEEE C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)NC[C@H](O)[C@H](C)O)ccc1Cl 1301669663 DWEAMRASAUBMII-UGSOOPFHSA-N 456.923 2.332 30 10 JEEE CC(C)NC(=O)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC[C@@](C)(C#N)C1 1303452526 FCEMEEUVEKSOBE-SANMLTNESA-N 478.645 2.297 30 10 JEEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCCC2(C)C)C1 1314001143 DTMVACJBBMKZKL-AUSIDOKSSA-N 472.615 2.276 30 10 JEEE COc1ccccc1OCc1nnc(N2CCC[C@](C)(C#N)C2)n1CCN1CCCS1(=O)=O 1315653834 BERFPLKBYWQBBR-JOCHJYFZSA-N 474.587 2.031 30 10 JEEE CS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NC(=O)NC2CCCCC2)CC1 1316347406 DCHUJUFPGWIYTQ-UHFFFAOYSA-N 499.641 2.462 30 10 JEEE CC(C)(C#N)c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc1 1352618011 DGSBVOMQOVZNJE-UHFFFAOYSA-N 455.536 2.406 30 10 JEEE C#CCCCCn1c([C@H]2CCOC2)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1358912218 LHRIDWYJMWMIRD-SFHVURJKSA-N 461.563 2.236 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCc1nccs1)[C@@H]1CCS(=O)(=O)C1 1358954981 BSLNUSMFDHCIEZ-LJQANCHMSA-N 498.634 2.473 30 10 JEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1C[C@@H]1CCCCS1(=O)=O)[C@@H]1CCS(=O)(=O)C1 1358958960 ZCLSNOBNXHFSGN-MOPGFXCFSA-N 497.042 2.193 30 10 JEEE C#CCN(c1nnc(-c2cc(-c3ccccc3)on2)n1CCC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1358962790 XDDMDVMFAUTUEX-IBGZPJMESA-N 496.593 2.142 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCOC3)n2C[C@H]2CSCCS2)n1 1359028479 UDTCOODNIIDYMW-HKUYNNGSSA-N 462.645 2.113 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CCCN2CCOCC2)CC1 1359032730 AWBQIXYALGEBCH-UHFFFAOYSA-N 482.629 2.218 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccnc(SC)c2)CC1 1359038240 ONWDAVPOWHSSEG-UHFFFAOYSA-N 467.624 2.190 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCOCCOC)CC1 1359042918 ZFUGUYINUWAFMN-UHFFFAOYSA-N 463.941 2.366 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2ccc(C(=O)NCC)cc2)CC1 1359044830 POPURQMUCIHTKS-QFIPXVFZSA-N 478.597 2.284 30 10 JEEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1359077439 CHVVVJYJGQHCOI-ROUUACIJSA-N 499.454 2.044 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCNC(=O)c2ccc(C)cc2)CC1 1359178761 AXWLWCFCOKBMPO-FQEVSTJZSA-N 457.600 2.321 30 10 JEEE C=CCCOCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1359225690 IAPCQITXDPLNTN-UHFFFAOYSA-N 493.612 2.203 30 10 JEEE C=CCCOCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](C)C1 1359227489 CCLAPXLLQRUPQA-ROUUACIJSA-N 451.568 2.404 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2C[C@H](C)O[C@]3(CCOC3)C2)cc1 1359306980 XDSVEKLPAKROPT-MHECFPHRSA-N 455.559 2.414 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@]2(CCOC2)C1 1359328504 GBJAOABLHPBACV-HXUWFJFHSA-N 452.964 2.195 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(C)CC(=O)Nc1cccc(Cl)c1 1359331057 MABJCYJJUKZHPT-UHFFFAOYSA-N 477.978 2.008 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCN(C(=O)c2ccccc2)CC1 1359331740 HDYOOEVPEHCLNT-UHFFFAOYSA-N 457.600 2.499 30 10 JEEE C[C@H]1CC[C@@H](C)N1CCN1CCN(S(=O)(=O)c2ccc(C#N)c(Br)c2)CC1 1463000599 FOTHZEBPAJOTAK-IYBDPMFKSA-N 455.422 2.500 30 10 JEEE CC[C@H](c1ccccc1)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCN1CCN(C(C)=O)CC1 1496405489 ABOBLIGPAZVOQX-ZJSXRUAMSA-N 453.566 2.426 30 10 JEEE CCNC(=O)c1cccc(Cn2c(N3CC[C@](F)(C#N)C3)nnc2[C@]2(OCC)CCOC2)c1 1502420696 AACBRJPZJYQFFD-GOTSBHOMSA-N 456.522 2.170 30 10 JEEE CCO[C@]1(c2nnc(N3CCC(C#N)CC3)n2CC(=O)N(C)Cc2ccccc2)CCOC1 1502668244 DZMMBBOHKSIGHM-XMMPIXPASA-N 452.559 2.329 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCO[C@H]2C(C)C)c1 1507550553 MOFHGRFKPVTAOU-MZKRTTBSSA-N 499.637 2.298 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CC[C@](C)(CC)O1)[C@H]1CCS(=O)(=O)C1 1507624617 CLGAWJPLZUXPPL-TZYAJKAJSA-N 494.658 2.293 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccc(C(F)(F)F)cc1)[C@H]1CCS(=O)(=O)C1 1507632053 IPEOEQLPWLTUQH-WMZOPIPTSA-N 468.501 2.476 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CCCOC1)[C@H]1CCS(=O)(=O)C1 1507639198 WLLKIXRFJJXNAP-VNTMZGSJSA-N 464.632 2.250 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(OC(F)F)c1 1507832100 MZFDNZPKTGRJNV-KRWDZBQOSA-N 471.530 2.425 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](O)(c2cccc(F)c2)C1 1507844325 HYCCWAXODIJEPP-VGOFRKELSA-N 464.563 2.010 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 1507868672 NGIXKZGQTCXHTO-DOTOQJQBSA-N 458.028 2.310 30 10 JEEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccc(F)c2F)CC1 1507943828 MFJPCDIPCVYWER-OAHLLOKOSA-N 454.547 2.459 30 10 JEEE C=CCCCn1c(N2CCC[C@H](N3CCCS3(=O)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1507954641 WMBUDHAYLLWECL-UGKGYDQZSA-N 467.636 2.289 30 10 JEEE C=CCCCn1c(CCc2ccccc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1507955779 QVOWWGLKKNLKNB-UHFFFAOYSA-N 452.603 2.010 30 10 JEEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)CN1CCOCC1 1507982417 MQMFXEXSJWPUKP-OALUTQOASA-N 464.611 2.177 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CCC[C@@H](CC(N)=O)C1 1508078386 ACELHCWVFGWRLQ-AWEZNQCLSA-N 461.364 2.102 30 10 JEEE C=CCOc1ccccc1Cn1c(-c2cnn(C)c2)nnc1N1CCN(CCOC)[C@H](C)C1 1508104151 IPRNFWMMXWVQGB-LJQANCHMSA-N 451.575 2.449 30 10 JEEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCC(=O)N2)n1CCCN1CCN(c2ccccc2)CC1 1509950245 CROYKMYUKRVTJE-TZIWHRDSSA-N 450.591 2.180 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)c1nc(-c2ccccc2)no1 1539015436 QESBOGOJYUKSNL-XYJFISCASA-N 454.556 2.492 30 10 JEEE C#CCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1539111825 AXYCZSXUPCBEQW-LJQANCHMSA-N 467.599 2.310 30 10 JEEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1539140886 CEYSXPCDKJKMLV-GMAHTHKFSA-N 458.651 2.410 30 10 JEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCCSc1ccccc1)[C@H]1CCS(=O)(=O)C1 1539200174 ARXNDGOZLMTMKP-IBGZPJMESA-N 487.651 2.323 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1ccc(N(C)C)cc1C)[C@H]1CCS(=O)(=O)C1 1539216448 SBEQKDAIAOLANP-FQEVSTJZSA-N 452.584 2.323 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H](F)COC 1539413245 HPIIJHGQBAEAOR-ZWKOTPCHSA-N 453.559 2.463 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(CS(C)(=O)=O)cc1 1539670162 YBUXSKJRTJCXIU-IBGZPJMESA-N 466.629 2.176 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H]1COCCO1 1540121336 KEKJBUUYAQJITO-ZJSXRUAMSA-N 453.543 2.410 30 10 JEEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(C)CC(=O)Nc1cccc(Cl)c1 1540869682 UOFSTCKTYCCZHP-UHFFFAOYSA-N 485.932 2.036 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN(C)C2CCCCC2)C1 1540892098 FMVAUHKAXHFXJQ-QUCCMNQESA-N 451.637 2.226 30 10 JEEE CC(C)(C)C(=O)NCCn1c([C@H]2CCCCO2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1541137776 DDXOAOXRNXPIIF-LJQANCHMSA-N 466.590 2.275 30 10 JEEE CC(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2c(C#N)cnc3ccccc23)CC1 1541546870 HYNRVYZNWDAHAN-KRWDZBQOSA-N 482.614 2.291 30 10 JEEE C[C@@H]1CCCN1CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1544241549 DBGJNQIJNPEUPB-GOSISDBHSA-N 471.631 2.161 30 10 JEEE CC[C@@H](C)[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(NS(C)(=O)=O)CC1 1545251077 ARCMLQNZQFEXJL-ZHRRBRCNSA-N 460.604 2.132 30 10 JEEE CCN1CCN(CCCn2c(CNC(=O)c3cccs3)nnc2N2CCC(CC#N)CC2)CC1 1547734973 FFXTVAWYEDZYAW-UHFFFAOYSA-N 484.674 2.427 30 10 JEEE CO[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1)C(C)C 1554636594 HYMZJZCAYQDVCH-FGZHOGPDSA-N 465.602 2.231 30 10 JEEE CC(C)(C)OC(=O)[C@H]1CC(=O)N(C2CCN(S(=O)(=O)CC3(C#N)CCCCC3)CC2)C1 1561721841 HROYHSJKDQHMND-KRWDZBQOSA-N 453.605 2.445 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2C[C@H]2CCC[C@H]2OC)c1 1587697754 WYXBYOXUADGTBU-TZIWHRDSSA-N 464.570 2.272 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CC1CCN(c2ccncc2)CC1 1588079044 QNJWBXIQEFIYRE-UHFFFAOYSA-N 454.538 2.310 30 10 JEEE C#CCN(CC)c1nnc(-c2cc(Br)c[nH]2)n1CCN/C(O)=C1\N=CC=CC1=O 1588276665 UVQXQFRRTZUGGG-FBMGVBCBSA-N 458.320 2.022 30 10 JEEE C#CCSCCn1c(-c2cccnc2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1589047586 BNBAAMIEQRIXFG-SIKLNZKXSA-N 467.643 2.085 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)cc2OC)n1CCC(=O)N1CCOCC1 1589185538 BDLXFJJKYAYYQY-XMMPIXPASA-N 453.543 2.203 30 10 JEEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N(CCO)Cc1ccccc1OC 1589287972 GYIQUYRMQSXFHC-UHFFFAOYSA-N 464.364 2.430 30 10 JEEE C=C(Br)Cn1c(-c2ccccc2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1589357767 HKVYTCANBGSNMV-SFHVURJKSA-N 496.431 2.485 30 10 JEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(N(C)C)Cc3ccccc3C2)CC1 1594192042 CRUHIEPCFHXMCS-SFHVURJKSA-N 472.659 2.390 30 10 JEEE C=CCC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1594521100 KJWJCMSZBGYKJL-UHFFFAOYSA-N 451.579 2.329 30 10 JEEE C=CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(C)=O)C[C@H]1C)c1ccccc1 1594536307 WARNQWFETXVUOL-LVCYWYKZSA-N 474.631 2.305 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CC[C@@](O)(Cc2cccc(Cl)c2)C1 1595555668 GTSIXKOQKVAVAD-XMMPIXPASA-N 466.973 2.403 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1595556394 UCFRVCNXQRMOFG-UHFFFAOYSA-N 481.532 2.005 30 10 JEEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H]1c1ccc(OCC)cc1 1595570138 YRGMQTCTHMRELV-HXUWFJFHSA-N 452.559 2.443 30 10 JEEE CC(=O)[C@H]1CC(C(=O)Nn2c(C)c(Br)c(C)c(C#N)c2=O)=NN1c1ccccc1 1611230519 CESZFANSPUTJPF-QGZVFWFLSA-N 456.300 2.393 30 10 JEEE CC(=O)Nc1ccc(S(=O)(=O)/N=C2/C(=O)c3ccccc3C(O)=C2N2CCN(C)CC2)cc1 1615741618 QLZMHCOYHLZLCR-LKUDQCMESA-N 468.535 2.145 30 10 JEEE N#CCCN(CCN1CCOCC1)C(=O)Nc1ccc2c(ccn2CCN2CCOCC2)c1 1623060254 BUZGSSHXNFOICF-UHFFFAOYSA-N 454.575 2.053 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1OC1CCCC1 1689853764 YDSMBSQFOYRUCZ-XMSQKQJNSA-N 487.626 2.439 30 10 JEEE C#CCN(C)c1nnc(COc2ccc(OC)cc2)n1CC1(NC(=O)OC(C)(C)C)COC1 1689974877 BELHRPSLUZHYKU-UHFFFAOYSA-N 457.531 2.229 30 10 JEEE C#CCN(c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCCC)[C@@H]1CCS(=O)(=O)C1 1689991340 ZWIVLGJQUNTUNH-MOPGFXCFSA-N 495.646 2.403 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C)ccc1OC(F)F 1690076809 BNSQYCPUSLUGPF-GOSISDBHSA-N 483.541 2.029 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(CC)cc3)n2CC2(O)CCOCC2)CC1 1690139636 VHIFJPPAZPLCKP-UHFFFAOYSA-N 451.571 2.015 30 10 JEEE C=C(C)COCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN2C(=O)OC[C@H]2C1 1690302643 HWPKZQUFYKODBA-QGZVFWFLSA-N 473.530 2.204 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCNC(=O)CC1 1690311533 NLPAJLIVNIQOQZ-GOSISDBHSA-N 462.595 2.312 30 10 JEEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1690321802 LTXJEIZJEWRXGG-UNMCSNQZSA-N 467.574 2.188 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)Oc2ccccc2F)CC1 1690375575 OFDNAXDIVYUYCX-YLJYHZDGSA-N 479.578 2.374 30 10 JEEE C=CCN(c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CCO[C@H]1C)C1CC1 1690545020 HXCPWSGJPHSHBB-TXBYWVTISA-N 463.579 2.281 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)Cc1cc(C)on1 1690659080 JHGIVADHRQCMCS-UHFFFAOYSA-N 457.922 2.097 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1690677095 MSLUUQAOSSETET-HXUWFJFHSA-N 484.626 2.009 30 10 JEEE C=CCNC(=O)Cn1c(N2CCO[C@@](C)(CC)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1690678380 UTRPDPCEOSWJQV-MFEFFIJZSA-N 462.595 2.356 30 10 JEEE Cc1ccc(C(=O)NCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@](C)(C#N)C2)cc1F 1693012785 FBOCHQWGVZWCHZ-FDDCHVKYSA-N 488.589 2.188 30 10 JEEE CO[C@H]1COCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(C#N)CC1 1697697743 BZERAWXBBKVROF-ICSRJNTNSA-N 459.572 2.140 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cn3nc(C)cc3C)n2CC2([S@](C)=O)CC2)c1 1705507481 CKQIKAGLNJNUGR-UMSFTDKQSA-N 479.610 2.107 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1CCCCS1(=O)=O 1705592427 WJWNXFWVYLCYRE-NRFANRHFSA-N 456.568 2.393 30 10 JEEE C#CCSCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1705654574 MZTGCTVBMAPHMK-UHFFFAOYSA-N 498.472 2.464 30 10 JEEE C#CCSCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCO[C@H](C(=O)NC)C1 1705654646 OZRLRCRDLDUHAV-RDJZCZTQSA-N 459.641 2.449 30 10 JEEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1705686550 BOTRFIHHQXFMDG-LLVKDONJSA-N 462.274 2.092 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1705897077 FQYKACQWMQDBMQ-NRFANRHFSA-N 465.602 2.460 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](CN2CCCC[C@H]2C)C1 1705909149 OYUBYWPBXOFTOI-JFYQVNSESA-N 474.650 2.395 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1705930482 OFWCTJOXSZWNGE-MRXNPFEDSA-N 454.666 2.396 30 10 JEEE N#Cc1cccc(-c2nnc(N3CC[C@@H](C(N)=O)C3)n2CCCn2cc(Br)cn2)c1 1712877129 BOBHDJMKPCOUBA-MRXNPFEDSA-N 469.347 2.178 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2Cc2conc2COC)c1 1722309234 LPMZVTOQKIVZIH-QGZVFWFLSA-N 450.499 2.021 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1Cc1ccccc1CC)[C@@H]1CCS(=O)(=O)C1 1722358048 DAFAPVXOJFFXHJ-OAQYLSRUSA-N 471.627 2.434 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1722392135 IBZAJSHAPSGJIH-DHIUTWEWSA-N 476.606 2.484 30 10 JEEE C#CCN1CCN(c2nnc(CCN3CCN(c4ccccc4)CC3)n2CC(=C)Cl)CC1 1722440147 DJHWRPQYFAPINV-UHFFFAOYSA-N 454.022 2.151 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccccc2OC(F)F)CC1 1722445659 AADDLRJMXGCQFJ-UHFFFAOYSA-N 469.496 2.294 30 10 JEEE C#CCSCCn1c(COc2ccccc2OCC)nnc1N1CCN2C(=O)CC[C@H]2C1 1722464192 XIQYWYLHGNAGAZ-SFHVURJKSA-N 455.584 2.433 30 10 JEEE C=C(Br)Cn1c(-c2ccc[nH]2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1722482507 VYXJEPNPNFMWBO-RDTXWAMCSA-N 462.396 2.171 30 10 JEEE C=C(Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](OCC)C1)c1ccccc1 1722539883 CFWWLSMJJWXIGM-NHCUHLMSSA-N 475.615 2.330 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1cccc([N+](=O)[O-])c1)C1CC1 1722557743 ZTDMDMSEWFGJQF-SFHVURJKSA-N 496.977 2.441 30 10 JEEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1722580413 JIXGTWRUCASQJT-LJQANCHMSA-N 459.639 2.153 30 10 JEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 1722628957 DKIBICYNKJBNIT-MSOLQXFVSA-N 483.635 2.219 30 10 JEEE C=CCn1c(-c2cccnc2)nnc1N1C[C@H](NC(=O)OC(C)(C)C)C2(CCS(=O)(=O)CC2)C1 1722684869 QLAQJYXNCSEBDC-SFHVURJKSA-N 488.614 2.434 30 10 JEEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](CC)C1 1722686287 WRLSXDZEAFSORY-BRWVUGGUSA-N 453.609 2.496 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccc3OC)n2CC2CCS(=O)(=O)CC2)C1 1722722843 SRTOMKVTPJQJBH-FQEVSTJZSA-N 460.600 2.484 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1722733190 UCTXNJJUHPWOKW-OTWHNJEPSA-N 476.647 2.420 30 10 JEEE CCS(=O)(=O)C[C@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCOC1 1729189234 ALSOQQYZFGFSBH-PKOBYXMFSA-N 461.588 2.415 30 10 JEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cc(F)c(F)c(F)c1 1740575845 WILPCHPOJLVXTK-GOSISDBHSA-N 485.532 2.468 30 10 JEEE C#CCN(c1nnc(C2CCN(c3ncccn3)CC2)n1CCC(C)(F)F)[C@H]1CCS(=O)(=O)C1 1740626910 NYCDSCRUCNCHLD-SFHVURJKSA-N 493.584 2.124 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@H]1NC(=O)CC1(C)C 1740683927 HDSPDQAZWCSCOT-FQEVSTJZSA-N 491.596 2.237 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2C[C@@]2(C)CN(C)C2=O)CC1 1740690383 IXJZTDHZARUUPP-UZUQRXQVSA-N 456.978 2.305 30 10 JEEE C#CCN1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(OC)c(Br)c2)CC1 1740695186 IECKIWHNOGXRJG-UHFFFAOYSA-N 468.359 2.310 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CC(F)(F)c2ccccc2)CC1 1740703904 DBRTVDWZMKJLSK-UHFFFAOYSA-N 453.497 2.436 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2CC2(S(C)(=O)=O)CCC2)CC1 1740704539 SBUOFUCIMFYULS-UHFFFAOYSA-N 469.611 2.187 30 10 JEEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1740712167 YYMJZWFVBDIVOK-UXHICEINSA-N 489.667 2.425 30 10 JEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1COc2ccccc2O1 1748789438 JTVZEFPASCYBSV-ROUUACIJSA-N 469.542 2.496 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CCc1ccccc1F)[C@H]1CCS(=O)(=O)C1 1748818486 BXNCJRVBRQVVOZ-FQEVSTJZSA-N 453.543 2.272 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H](C)c1nccs1)[C@H]1CCS(=O)(=O)C1 1748819428 OMQFHHXTAAEMLE-AEFFLSMTSA-N 456.597 2.151 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCC1CCOCC1 1748831596 QZQWRSBMYUWGPX-UHFFFAOYSA-N 455.584 2.085 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H]2CCN(c3ccccc3OC)C2)CC1 1748971290 KSKJVPFDSKXHMQ-OAQYLSRUSA-N 493.656 2.487 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC(C)(C)CN2CCCC2)CC1 1748978900 SOKWJXQVTGMQOG-VWLOTQADSA-N 458.651 2.196 30 10 JEEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1749354446 QDXGLSCSRAGQGQ-HOTGVXAUSA-N 480.639 2.065 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CCSC1 1749529800 LKIPPYLHMGPMLB-GCJKJVERSA-N 478.640 2.249 30 10 JEEE COCC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(Cn2cncn2)CC1 1749601697 AXMKUVRYAIVMJD-QHCPKHFHSA-N 450.547 2.112 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1749655153 DNMPMNOUNOGCLL-GXFFZTMASA-N 477.285 2.494 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC2(O)CCS(=O)(=O)CC2)C1 1749697609 LNJNGRJBFXRIMW-FXAWDEMLSA-N 494.589 2.278 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)C1 1750496962 ADFPOVINVCOUET-FQEVSTJZSA-N 495.584 2.169 30 10 JEEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1760129365 KXMFSNAGKMOHPD-UHFFFAOYSA-N 475.601 2.401 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Cl)n1CC1(N(C)C)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1760184869 MWNWWFRRNCRQJW-GOSISDBHSA-N 492.045 2.336 30 10 JEEE C#CCN(CC#CC)c1nnc(COc2ccc(Br)cc2)n1C[C@@]1(O)CCOC1 1760223729 JYNAIZIYUHXSGK-NRFANRHFSA-N 459.344 2.234 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCCNS(=O)(=O)CC)CC1 1760256643 QZQBCOWIPLBYKL-UHFFFAOYSA-N 485.441 2.337 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 1760257245 RPGANGIXNZOISC-SFTDATJTSA-N 490.649 2.404 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2cccc(OCCC)c2)CC1 1760268017 APUQZDWQGCFJEZ-JOCHJYFZSA-N 478.597 2.227 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cccc(C(F)F)c2)CC1 1760270430 XGJSDQSYLZDIRE-LJQANCHMSA-N 491.564 2.132 30 10 JEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCc2cc(OC)c(OC)c(OC)c2CC1 1760279735 DZDRUFPIMQQWNV-GOSISDBHSA-N 485.610 2.227 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCOC2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1760321964 MGMQQWVHWDGJNW-GGPKGHCWSA-N 467.636 2.061 30 10 JEEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1760431740 AIGFKWINNAXODI-MRXNPFEDSA-N 461.567 2.192 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC(NC(=O)c2ccc(F)cc2)CC1 1760525829 TULGCPMPOAIUKX-UHFFFAOYSA-N 477.544 2.104 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCN(C(C)=O)C[C@@H]2C)cc1 1760530239 MEIQLOFIFKKRFC-SFHVURJKSA-N 452.559 2.184 30 10 JEEE C=CCOc1ccccc1Cn1c(N2CCN(C)C(=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1760534095 RMUMZRZTRRVUNY-XMMPIXPASA-N 455.559 2.210 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(=C)c2ccccc2)C1 1760544083 VNHARCPTJRYKNM-LEWJYISDSA-N 473.599 2.106 30 10 JEEE CN1CCN(CCn2c(CC(C)(C)C)nnc2N2CCN(c3ccc(C#N)cn3)CC2)CC1(C)C 1769076734 AACLKVGBZPYXRG-UHFFFAOYSA-N 479.677 2.486 30 10 JEEE CNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(OC)nc2OC)C1 1769199641 GXEZUDAKMGSFKT-GOSISDBHSA-N 461.526 2.240 30 10 JEEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ncnn2C(C)(C)C)C[C@H]1C 1771135671 FTQCHECQJKHOFZ-GOSISDBHSA-N 463.590 2.368 30 10 JEEE CO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2C[C@@H](C)O[C@H](C)C2)C1 1771326895 DJQMKAVGIKZUGQ-WOIUINJBSA-N 454.575 2.453 30 10 JEEE CC(C)OC(=O)c1ccc(Cn2nnc(C#N)c2NC(=O)c2ccc(NS(C)(=O)=O)cc2)cc1 1870107488 KZBPGSQDCVSCSL-UHFFFAOYSA-N 482.522 2.387 30 10 JEEE CC(C)c1ccc(Cn2nnc(C#N)c2NC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc1 1870110799 JCVBIFFUKWBLAV-UHFFFAOYSA-N 473.449 2.464 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCCc2ccccc2)cn1CCN(C)C 1870522399 BFWUWMJPEHTYBE-UHFFFAOYSA-N 452.599 2.322 30 10 JEEE C=CCN=c1nc(N2CCN(c3ccccc3OC)CC2)[nH]c(=Nc2cc(OC)cc(OC)c2)[nH]1 1871688661 HHGNDJOTMDYDMC-UHFFFAOYSA-N 477.569 2.409 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](Oc2c(I)cc(C#N)cc2[N+](=O)[O-])C1 2090215049 APJYIMWMYWVAIU-QWHCGFSZSA-N 475.239 2.430 30 10 JEEE CO[C@@H](C)[C@@H](CC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2124538470 KDAJFJALGPNACA-DZGCQCFKSA-N 450.345 2.033 30 10 JEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](C(=O)N2CC[C@@H]3C[C@@]3(B3OC(C)(C)C(C)(C)O3)C2)C1 2197801852 OGNUHXRHSYYFLZ-ZMPRRUGASA-N 484.424 2.105 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2COC)C1 2255156353 NPRROTBXSFJEHQ-WCCYLALTSA-N 451.564 2.387 30 10 JEEE Cn1nc(C(=O)N[C@@H]2CCCN(C(=O)OCc3ccccc3)C2)cc1B1OC(C)(C)C(C)(C)O1 2255615234 PYLOKRWDKHWNKW-GOSISDBHSA-N 468.363 2.250 30 10 JEEE CC(C)(C)OC(=O)N1CC(CO)(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2255831370 UVAGSOYUJKCYCX-UHFFFAOYSA-N 452.382 2.007 30 10 JEEE CC1(C)OB(c2cnsc2C(=O)N2C[C@H]3OCCN(Cc4ccccc4)[C@@H]3C2)OC1(C)C 2267165027 ZGWYDHUFXYNWHZ-RTBURBONSA-N 455.389 2.168 30 10 JEEE Cc1csc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2O)c1B1OC(C)(C)C(C)(C)O1 2267539499 QZWSVPYSKFLYBW-GJZGRUSLSA-N 466.409 2.456 30 10 JEEE C[C@@H](CCCN(C)C(=O)OC(C)(C)C)NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2267547786 NKNJPRFKIFUVSF-HNNXBMFYSA-N 450.389 2.485 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](CO)[C@H](NC(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2267592026 JVVPFPPPLQOTLI-GOEBONIOSA-N 466.409 2.395 30 10 JEEE C[C@@H]1[C@@H](NS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CCN1C(=O)OC(C)(C)C 2267704344 LYGBRYWNIWONFK-PBHICJAKSA-N 467.397 2.057 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2Cl)CO1 2267708649 NXAFFBLNCKZLEF-AWEZNQCLSA-N 488.799 2.468 30 10 JEEE Cn1ncc(C(=O)N[C@H]2C[C@H]3[C@H](C2)C[C@H]3NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2281812453 SUYCFPJSVISDKB-PNBKFKSVSA-N 460.384 2.141 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)n1 2281995129 YRXGVPFSZTUJOQ-MUJYYYPQSA-N 460.384 2.045 30 10 JEEE CC(C)(C)OC(=O)Nc1ccc(CNC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)cn1 2282022009 DKIGMYSFAFEWGU-UHFFFAOYSA-N 455.324 2.448 30 10 JEEE Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1(C(=O)O)CN(C(=O)OC(C)(C)C)C1 2282117018 LSJQTGGWGBBTAS-UHFFFAOYSA-N 460.336 2.098 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(F)ccc2B2OC(C)(C)C(C)(C)O2)[C@H](CO)C1 2282395132 IJHIJJURGOLPHR-INIZCTEOSA-N 464.343 2.179 30 10 JEEE Cn1cc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C23CCC3)nc1B1OC(C)(C)C(C)(C)O1 2282551579 FBOOPFZPMCOJQU-MRXNPFEDSA-N 460.384 2.381 30 10 JEEE Cn1nc(C(=O)N2C[C@H]3CCC[C@@]3(NC(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2282615775 RWDBGSBSFYARHE-IQMFZBJNSA-N 460.384 2.239 30 10 JEEE CC(C)(C)OC(=O)N1CC(N(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)[C@H]2CCOC2)C1 2282636206 JTQSKGDNVBFFMN-INIZCTEOSA-N 461.368 2.164 30 10 JEEE CN(C1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12)S(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2282867275 WJEVKIDELAVOCU-HOTGVXAUSA-N 478.420 2.472 30 10 JEEE CC(C)(C)OC(=O)N1CC=C[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(O)cc2O)C1 2282975143 MSTABQNJLMFCQA-CQSZACIVSA-N 460.336 2.302 30 10 JEEE CC(C)(C)OC(=O)NCc1nnc(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2O)o1 2282992739 XLEHJLDNIHBGAM-UHFFFAOYSA-N 460.296 2.351 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H]2[C@H]1CCCN2C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2283061812 NEKWMTLMBHSHMG-CVEARBPZSA-N 458.368 2.390 30 10 JEEE C[C@@H](NC(=O)CN1CC(NC(=O)OC(C)(C)C)C1)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2283953959 ZPFAWLSUWOXNLU-MRXNPFEDSA-N 459.396 2.372 30 10 JEEE CO[C@@H](CNC(=O)OC(C)(C)C)C(=O)N1CCc2c(cccc2B2OC(C)(C)C(C)(C)O2)C1 2283967686 GNRZKQKAPGLKDY-IBGZPJMESA-N 460.380 2.410 30 10 JEEE CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2283974150 LBOQUKQGQLJXNE-OAHLLOKOSA-N 474.392 2.334 30 10 JEEE COC(=O)c1ccc(CSc2nnc(CNC(C)=O)n2N=Cc2ccccc2[N+](=O)[O-])o1 2330761558 MBHNGCWBELSKOG-UHFFFAOYSA-N 458.456 2.377 30 10 JEEE CC1(C)OB(c2cccc(S(=O)(=O)N[C@H](CCO)COCc3ccccc3)c2)OC1(C)C 2343583076 IYADLVRWXAARCN-HXUWFJFHSA-N 461.389 2.232 30 10 JEEE CN(C(=O)OC(C)(C)C)[C@H]1CN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CC1(C)C 2361508654 OMENDVPLJVNYOC-HNNXBMFYSA-N 460.384 2.493 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@]1(C)CN(C(=O)OC(C)(C)C)CC1(F)F 2361545973 WWLJSNDETYPQSK-FQEVSTJZSA-N 470.326 2.094 30 10 JEEE CC(C)(C)OC(=O)NCC1(C(=O)N2CCc3scc(B4OC(C)(C)C(C)(C)O4)c3C2)COC1 2361636542 CLUOJIOTYRRNIB-UHFFFAOYSA-N 478.420 2.473 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N=S1(=O)CCC(NC(=O)OC(C)(C)C)CC1 2362349186 FHSMNKGEJZYGDV-UHFFFAOYSA-N 482.412 2.015 30 10 JEEE COC(=O)c1[nH]c(C)c(/C(O)=C2/C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(OC)cc2)c1C 103228217 ZKSAJAQWEMSEFF-HUZQBFDWSA-N 455.511 2.410 30 10 JEEE CC(=NNc1nc(N2CCOCC2)nc(N2CCOCC2)n1)c1ccc(Br)cc1 252613696 JCTUMWBAJORILN-UHFFFAOYSA-N 462.352 2.143 30 10 JEEE CC(=O)OC[C@H](CO)c1c(O)c(O)c2c(c1O)C(=O)C(O)=C1C(C)(C)[C@H](OC(C)=O)CC[C@]12C 257550569 TZUQHNPSYKAAGX-TXNHMLTKSA-N 478.494 2.460 30 10 JEEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3cc(CNS(C)(=O)=O)ccc3OC)n[nH]2)c1C 1141165363 TUWGIONWBLBLLV-UHFFFAOYSA-N 458.544 2.386 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2C[C@@](C)(O)[C@H](C)CC)c1 1286312042 QDVQOPBSSFMIHF-IQGLISFBSA-N 466.586 2.254 30 10 JEEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@H](CN2CCOCC2)C1 1286338837 QOHQURSKIDIRRK-HXUWFJFHSA-N 471.005 2.433 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@](C)(O)c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1286387940 XAVVCFKRXWAOBC-AUSIDOKSSA-N 469.542 2.014 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1CC(C)(C)N1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1286398459 JRJLVGHUTZYUBS-XUVXKRRUSA-N 463.648 2.267 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2Cc2cccnc2OCC(F)F)CC1 1286480265 UHBUJPSVRLNVKZ-UHFFFAOYSA-N 453.497 2.491 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCC[C@H]2CCCCO2)CC1 1286663329 LEAXVGVNKRMHAF-WOJBJXKFSA-N 467.636 2.363 30 10 JEEE C=CCN(c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCS(=O)(=O)C1)C1CC1 1286738685 ZPMSCJKVWONHBI-WMZOPIPTSA-N 481.619 2.176 30 10 JEEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1286778601 HRJCYJMZPBOABJ-RBUKOAKNSA-N 473.622 2.279 30 10 JEEE C=CCNC(=O)Cn1c(N2C[C@@H](C)N(CC)C[C@@H]2C)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1286793642 ZVJPWSLKKIQKIJ-HCXYKTFWSA-N 475.638 2.270 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CCC[C@H](n2cncn2)C1 1286823189 MAGJXKQJWJCQGH-KRWDZBQOSA-N 475.550 2.030 30 10 JEEE CCN1CCN(C[C@H](C)Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N(C)C[C@@H](C)C#N)CC1 1296183586 FYARVBGXINWVPS-PMACEKPBSA-N 487.674 2.218 30 10 JEEE CCOc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1CCNC(=O)c1cccs1 1296882770 HPHIUTHYQNYEMS-QGZVFWFLSA-N 482.566 2.476 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1Cc1ccc(CN2CCC(O)CC2)cc1)[C@H]1CCS(=O)(=O)C1 1300495454 HUJYEFIBFBRAPJ-QHCPKHFHSA-N 499.681 2.108 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1CCCn1cccn1)[C@H]1CCS(=O)(=O)C1 1300498339 JGWPMZHHLDOGIH-NRFANRHFSA-N 452.584 2.091 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@H]1CCCN1CC)[C@H]1CCS(=O)(=O)C1 1300498503 KRIKOYWPTNREMG-MSOLQXFVSA-N 477.581 2.258 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1300564039 RMKYKZMJPDXYEI-QFIPXVFZSA-N 477.569 2.259 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H](c2ccsc2)N(C)C)CC1 1300684809 AHKDJDWPRSPFCZ-NZQKXSOJSA-N 458.632 2.050 30 10 JEEE C=C(C)Cn1c(-c2noc3c2COCC3)nnc1N1CCC(C(=O)NCCCOCC)CC1 1300946135 JRUFWFBTWKTSOK-UHFFFAOYSA-N 458.563 2.341 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](OC)[C@@H](C)CC)CC1 1301127082 YJHGFYXMZIYSRM-UHOSZYNNSA-N 455.625 2.075 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1301483713 VCJQRLJZKHUOJQ-GJZGRUSLSA-N 462.304 2.124 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC(CN(C)C(=O)OC(C)(C)C)CC1 1301496896 JXELPWBVYCNXQR-UHFFFAOYSA-N 470.578 2.121 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCN2CCCS2(=O)=O)C1 1301556709 LQUPXWAJRRELTG-IBGZPJMESA-N 466.007 2.339 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2cc(F)cc(F)c2)C1 1301556962 KWYGFIMHIUJGRR-LPHOPBHVSA-N 452.527 2.482 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@H](C)C[C@@H]1CC 1301576785 HFABNXANORZELU-AEFFLSMTSA-N 456.576 2.146 30 10 JEEE C=CCSCCn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1301612431 MACSVIDLOJYIHL-ROUUACIJSA-N 459.620 2.489 30 10 JEEE CC1(C)C[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1303952235 GUIMAEMPGDGXHF-KRWDZBQOSA-N 458.588 2.293 30 10 JEEE CCN1CCN(C[C@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCOC[C@@H]2C)CC1 1313954135 AQLOPXUAMXHZIG-SFTDATJTSA-N 467.618 2.227 30 10 JEEE CNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1315042555 HNMVPSYETFJGMR-INIZCTEOSA-N 453.547 2.398 30 10 JEEE CO[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@H]2C1)C(C)(C)C 1315226723 DXBHTKZRUASZAM-IEBWSBKVSA-N 454.531 2.431 30 10 JEEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1358921843 LEAWELVESPILIG-MRXNPFEDSA-N 484.420 2.479 30 10 JEEE C#CCN(C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1358941538 NWOSXGOSZUQLCK-LAUBAEHRSA-N 473.599 2.236 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(O)cc1)[C@@H]1CCS(=O)(=O)C1 1358959931 SHSZAGBFXQZQNY-QGZVFWFLSA-N 457.943 2.374 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1Cc1ccnc(OCC(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 1358964440 ZERHLLLXZFTZSG-KRWDZBQOSA-N 485.532 2.488 30 10 JEEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1Cc1c(C)nn(C)c1C)[C@@H]1CCS(=O)(=O)C1 1358966855 YACLCTFYNSCJNM-OAQYLSRUSA-N 496.637 2.499 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc3cccnc23)n1CCCN(C)S(=O)(=O)CC 1358974753 PWXUNVPVJRMULA-UHFFFAOYSA-N 450.568 2.238 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H](C)COC)CC1 1359040349 QLNQPVNYJOJPET-QGZVFWFLSA-N 487.004 2.110 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@]2(O)CCCC2(C)C)CC1 1359046735 DLLCGARLIGRXBL-RUZDIDTESA-N 467.618 2.047 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1359063835 FOGAVJXPNRPXCV-NTUVXCKYSA-N 488.610 2.359 30 10 JEEE C=C(Br)Cn1c(N2CCC(S(=O)(=O)CC)CC2)nnc1[C@]1(OCC)CCOC1 1359088127 BUPQSYVBHAOADZ-SFHVURJKSA-N 477.425 2.242 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)cn1 1359259067 LHFKRWLSOINSCT-OAQYLSRUSA-N 486.573 2.386 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CC(=O)N(c2ccccc2)C1 1359272560 WPRRZDQBADDQOG-OALUTQOASA-N 455.584 2.412 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCN(c2ccnc(C)n2)CC1 1359305226 WUQFRAXJYZPABC-UHFFFAOYSA-N 482.976 2.238 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1359329190 BFLDCHAXEHUSFJ-UHFFFAOYSA-N 496.037 2.178 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCOC2(CCOCC2)C1 1359336130 GGDTVEOMWCYZNQ-RTBURBONSA-N 482.647 2.183 30 10 JEEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1CCc1nccs1 1360622233 FPSWNFJRLHFVPK-HNNXBMFYSA-N 460.585 2.297 30 10 JEEE C=CCn1c(S)nnc1-c1sc(NC(=O)CN2CCCC3(CC3)S2(=O)=O)nc1C 1443508018 JUEVMTKWBSSADX-UHFFFAOYSA-N 454.603 2.081 30 10 JEEE C=CCn1c(SCC2(C)COC2)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 1458825823 AIJBZNXEIQQUJS-UHFFFAOYSA-N 450.586 2.281 30 10 JEEE CCc1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1498987164 GHWJUDSTRCIALC-SFHVURJKSA-N 458.588 2.041 30 10 JEEE CC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCc2cnn(C)n2)C[C@H](C)O1 1499780784 CXKZMGCRKHBVTH-PXNSSMCTSA-N 450.547 2.494 30 10 JEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cccnc1OCC 1507616463 JOQWREZYCFKRGP-GOSISDBHSA-N 456.547 2.498 30 10 JEEE C#CCN(c1nnc(-c2cn(C)c3ccccc23)n1CCCOCC)[C@@H]1CCS(=O)(=O)C1 1507630644 DWZLMKWNZVKHLT-GOSISDBHSA-N 455.584 2.490 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1CCOc1ncccc1Cl)[C@@H]1CCS(=O)(=O)C1 1507631244 MZYORUSVYHTVJY-QGZVFWFLSA-N 472.958 2.094 30 10 JEEE C#CCN(c1nnc(CC)n1CCNc1ncc(Cl)cc1Cl)[C@@H]1CCS(=O)(=O)C1 1507633178 DENAAKPLZVUYIR-CQSZACIVSA-N 457.387 2.281 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(Br)cn2C)n1CC1(S(C)(=O)=O)CCC1 1507661790 IIMIGUFBSVQABM-UHFFFAOYSA-N 478.416 2.476 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H](C)N2CCC[C@@H](C)C2)CC1 1507717981 KBNLRTILPNVNJE-RTWAWAEBSA-N 484.670 2.224 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1507785421 QONAUBUGPKBFKV-IXDOHACOSA-N 470.412 2.448 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1508073325 JVBAXQDEOFEEQI-AVRWGWEMSA-N 485.585 2.427 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1Cc1cccnc1N1CCOCC1 1539031325 ZGHSAUHDUUJGNF-QGZVFWFLSA-N 465.583 2.007 30 10 JEEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1539053043 YQWBAYYGHJMRSD-IBGZPJMESA-N 493.655 2.012 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1CCNc1nccc(C(F)(F)F)n1)[C@H]1CCS(=O)(=O)C1 1539201990 DMXJVGZRMAEVLU-CABCVRRESA-N 485.536 2.339 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1Cc1c(CC)nn(C)c1OC)[C@H]1CCS(=O)(=O)C1 1539229662 GJSSTSXIUOQHHM-FQEVSTJZSA-N 496.637 2.043 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H](C(C)C)N1CCOCC1 1539251545 HXLGGKNFGOLIIS-QFIPXVFZSA-N 451.571 2.392 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CC(F)(F)CO1 1539392270 NZNOOAVATDGYDA-AEFFLSMTSA-N 468.501 2.383 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2ccccc2-c2cnn(C)c2)CC1 1539430226 HLEDVSDEQYIUPR-HXUWFJFHSA-N 463.586 2.206 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccc(NC(=O)CCC)cc2)CC1 1539431866 XPUYPVBYFUYDHE-SANMLTNESA-N 480.613 2.472 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccn2C)nnc1N1CCC(NS(=O)(=O)CC)CC1 1539626773 GJIWITFIOMWWLR-FXAWDEMLSA-N 462.620 2.173 30 10 JEEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 1540019259 FJMFAGHSAHANBB-UHFFFAOYSA-N 470.574 2.407 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCc2ccc(F)cc2C1 1540907116 LUIFEQNJKSLAMC-UHFFFAOYSA-N 458.563 2.442 30 10 JEEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(Cc2ccccn2)n1CC(C)(C)CN(C)C 1544581870 AQXSENJWXRHMPH-IBGZPJMESA-N 474.617 2.228 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](CC(C)C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1588040788 QNZOYXZBGJUWQF-FGZHOGPDSA-N 468.627 2.420 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H](c1ccccc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1588050399 SCHWDRRGCRVHGT-PZJWPPBQSA-N 452.584 2.203 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1CCS(=O)(=O)C(C)(C)C 1588219208 OIMNDTMGRAHZFF-UHFFFAOYSA-N 466.567 2.270 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cc(Cl)ccc2OC(F)F)CC1 1588806055 FIQPAUBBWIIXAY-MRXNPFEDSA-N 464.904 2.288 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3OCC)n2C[C@H]2CCN(CC)C2)CC1 1588871791 QFKCHFGWELQWKN-NRFANRHFSA-N 452.603 2.353 30 10 JEEE C=C(Br)Cn1c(-c2noc3c2COCC3)nnc1N1CCC(CC(N)=O)CC1 1589382098 JFLBSBYGBBQRPV-UHFFFAOYSA-N 451.325 2.006 30 10 JEEE C=CCC(C)(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN2CCOC[C@H]2C1 1594461106 IVGXFHAFBMJKTK-HXUWFJFHSA-N 488.658 2.319 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(Cc2cc(C)ccc2OC)CC1 1595544152 FRWSITFINRVULJ-FQEVSTJZSA-N 468.602 2.114 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCNC(=O)c1cccc(OC)c1 1649539277 ZKYWWSJKENQDEL-HOYKHHGWSA-N 455.559 2.215 30 10 JEEE C#CCCNC(=O)Nc1ccc(N2CCOCC2)c(S(=O)(=O)Nc2ccccc2OC)c1 1672479318 IXXDABLCHITJML-UHFFFAOYSA-N 458.540 2.477 30 10 JEEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(C)=O)C[C@@H]1C 1689931731 GOEAELMMPWKMHF-PKOBYXMFSA-N 460.579 2.057 30 10 JEEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1cccnc1N1CCOCC1 1689978192 OPPXQSHLEMKFGH-BGYRXZFFSA-N 481.601 2.398 30 10 JEEE C#CCN(c1nnc(-c2nnc(O)c3ccccc23)n1CCOCCC(C)C)[C@H]1CCS(=O)(=O)C1 1689987952 GINPLDYJTVZWFX-SFHVURJKSA-N 498.609 2.283 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCC1CC(OCC)C1)[C@H]1CCS(=O)(=O)C1 1689990788 RSCGMQLILLXPLR-ZUPWUQBJSA-N 450.605 2.352 30 10 JEEE C#CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H](C)SC)[C@@H]1CCS(=O)(=O)C1 1689998845 YMXMFECOCGHLFG-ZJPYXAASSA-N 497.687 2.427 30 10 JEEE C#CCN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1690061069 QGMOZBWOXPHGSJ-RXVVDRJESA-N 473.540 2.431 30 10 JEEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@]2(N(C)C)CCSC2)CC1 1690130434 GBEZSKGSWCMQJX-RUZDIDTESA-N 468.671 2.264 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@H](C2CC2)N(C)C)CC1 1690139207 DIFXWGCBTDCPPD-JOCHJYFZSA-N 450.587 2.260 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2C[C@H]2OCC[C@H]2C)CC1 1690152571 PROYHEMLFPGHIQ-DYESRHJHSA-N 455.534 2.387 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)C[C@H](C)C(=O)NC 1690245744 MLAMCLUXZGJWND-SPEDKVCISA-N 493.612 2.474 30 10 JEEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1690299490 UCAVTDSNRQSMAV-KRWDZBQOSA-N 453.547 2.013 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(F)c(Cl)c2)C1 1690700657 VTSICEKZRNATPH-VQIMIIECSA-N 499.996 2.233 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(Br)cc3)n2CC(=O)N(C)C)C1 1690712352 UIIAUZMQQPCNFC-KRWDZBQOSA-N 464.364 2.489 30 10 JEEE CC(C)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@H]1CCCN1S(C)(=O)=O 1691881331 HQDFGLMVSDRXSJ-OAQYLSRUSA-N 471.631 2.019 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2C[C@H](C)N2CCOCC2)c1 1705507073 QSIKTPJJOYBAMU-FQEVSTJZSA-N 473.581 2.041 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccccc1CN1CC[C@H](O)C1 1705590391 JWNMSRRZADIJIY-RPLLCQBOSA-N 477.609 2.008 30 10 JEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2ccccc2OC)CC1 1705652414 YLSLFJXOIQMJDZ-UHFFFAOYSA-N 456.616 2.114 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1705898672 SWPRULHIOLAEQI-IBGZPJMESA-N 494.600 2.389 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCN(CC(F)(F)F)CC1 1705933696 PIQUPVAJPGUZQQ-UHFFFAOYSA-N 473.521 2.239 30 10 JEEE CC(C)(C)NC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1706153999 GMTOQLLCKGTQSA-IBGZPJMESA-N 488.614 2.047 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CN(CC(C)C)CCO1 1722291427 QDMWCZZFQGAEOG-PCCBWWKXSA-N 490.649 2.401 30 10 JEEE C#CCCCCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1722316494 IZHZPUIAVWKTMB-NRFANRHFSA-N 473.599 2.454 30 10 JEEE C#CCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC[C@H](NC(C)=O)C1 1722339055 QPWAAUFSMWVKLD-QHCPKHFHSA-N 463.630 2.161 30 10 JEEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CN(Cc2ccccc2)CCO1 1722394813 HAAQYFHFQYCXLI-SQHAQQRYSA-N 477.609 2.294 30 10 JEEE C=CCCCn1c(N2CCC([C@]3(C)NC(=O)NC3=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1722623335 SFSHDRSWFOIWKK-XZOQPEGZSA-N 460.579 2.099 30 10 JEEE C=CCCOCCn1c(COc2ccc(Br)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1722626890 JJRSGIYDAXFWOQ-QGZVFWFLSA-N 491.390 2.426 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1722692083 WLTNCOSGRILYKR-FHWLQOOXSA-N 452.559 2.052 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1722700938 ZQDWZERTMZRXTO-UHFFFAOYSA-N 468.493 2.256 30 10 JEEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(OC(C)(C)C)CC1 1722701760 CLZOXRRQTAPQRC-UHFFFAOYSA-N 460.604 2.356 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](N2CCCC2)C1 1722751259 RTYVIZAHWWMFBI-NRFANRHFSA-N 454.600 2.482 30 10 JEEE CC(C)NC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1723650537 DJLURLZLPZHFQV-WMLDXEAASA-N 466.464 2.409 30 10 JEEE CCCNC(=O)CCn1c(Cc2cccnc2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1728191971 GFLGLSSBGRZDHZ-UHFFFAOYSA-N 472.597 2.374 30 10 JEEE COC1(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](c3cccc(C#N)c3)C2)CCC1 1729936163 DXECUZMHWNWMJS-FXAWDEMLSA-N 488.614 2.297 30 10 JEEE N#CCCN(CC1CC1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOc1ccc(Cl)cn1 1731187878 BOHDSNZCBJGEDV-INIZCTEOSA-N 464.979 2.438 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CCC[C@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1740617590 UBBGKPHNDPFTMH-IMSXRSKXSA-N 494.658 2.295 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(C)nc1)[C@@H]1CCS(=O)(=O)C1 1740619905 MRNWXZNAZJVPNY-GOSISDBHSA-N 456.959 2.372 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@]1(C)COCCO1)[C@H]1CCS(=O)(=O)C1 1740620169 OKZUHJWODMLCPW-JTSKRJEESA-N 495.001 2.039 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCN1CCCC(C)(C)C1)[C@@H]1CCS(=O)(=O)C1 1740624432 IORYGTIYLAVPBK-HXUWFJFHSA-N 490.699 2.383 30 10 JEEE C#CCN(c1nnc(COc2ccccc2OC)n1C[C@H]1CCSC1)[C@H]1CCS(=O)(=O)C1 1740627749 KHGMKZLRMABHOQ-MSOLQXFVSA-N 476.624 2.246 30 10 JEEE C#CCN(c1nnc(CSc2ccc(Cl)cc2)n1C[C@@]1(O)CCOC1)[C@@H]1CCS(=O)(=O)C1 1740628761 SWASQWHYSPYBIN-UTKZUKDTSA-N 497.042 2.002 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(Br)s2)n1CCCNS(=O)(=O)CC 1740633585 MYLSGZXBXWGYJV-UHFFFAOYSA-N 470.418 2.171 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1CCc1ccc(S(C)(=O)=O)cc1 1740661248 WGHLUONDCKLYPH-UNMCSNQZSA-N 470.595 2.111 30 10 JEEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 1740715364 IFIBAZREAJQDFH-UHFFFAOYSA-N 453.547 2.033 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc3c(c2)OCCO3)n1CCCN(C)S(=O)(=O)CC 1740729839 NQVVJFYRANNKCB-HSZRJFAPSA-N 473.599 2.380 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CCS(=O)(=O)C1 1740736020 KNRYCSURNAQRFP-PRHHBONVSA-N 477.631 2.476 30 10 JEEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C2CCOCC2)CC1 1740796331 VGUNSXWFBFFOCO-UHFFFAOYSA-N 474.631 2.163 30 10 JEEE C#CCCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC(S(C)(=O)=O)CC1 1748701079 BDEMJMNSQYBRHU-UHFFFAOYSA-N 492.671 2.364 30 10 JEEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1748725162 VAGAJXWXNNVVHB-UHFFFAOYSA-N 455.651 2.199 30 10 JEEE C#CCCCCn1c(N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)nnc1[C@@]1(OCC)CCOC1 1748731229 XUVPHVBTPVVZDF-YADARESESA-N 477.606 2.464 30 10 JEEE C#CCCCn1c(C2CCC2)nnc1N1C[C@@H]2[C@H](C1)[C@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1748748103 RGLPTJGNFFRYLC-KZNAEPCWSA-N 463.604 2.086 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1Cc1c(C)coc1C)[C@H]1CCS(=O)(=O)C1 1748802753 SFHZUCQAGHTMOD-SFHVURJKSA-N 461.588 2.081 30 10 JEEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 1748804932 MNYPCDUVWTVILC-XUZZJYLKSA-N 472.611 2.302 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1Cc1cnc(C)s1)[C@H]1CCS(=O)(=O)C1 1748809227 KWQOCLNRCZJWNG-KRWDZBQOSA-N 457.581 2.394 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCc1ccc(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1748825224 WPKSWCMQGLXXLT-PZJWPPBQSA-N 488.610 2.406 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1cnn2ccccc12 1748881078 BAMNTJVSLISKKZ-UHFFFAOYSA-N 487.589 2.354 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)N(C)C1CC1 1748945744 YUQQNPQVMMSJAJ-PKOBYXMFSA-N 459.591 2.442 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(C)o3)n2Cc2cccc(OCC(=O)N(C)C)c2)CC1 1748983608 VEBDVVNLNMQPGX-UHFFFAOYSA-N 462.554 2.117 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCSCc2ccccc2F)CC1 1748990562 YPHAFCJTUSIYCY-LJQANCHMSA-N 477.631 2.008 30 10 JEEE C#CCSCCn1c(-c2cc(Br)cn2C)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1749022925 JRHJBFRJQFZQFR-AWEZNQCLSA-N 472.434 2.036 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCNC(=O)CC1 1749122451 WBADKOCGYYCVHH-HRAATJIYSA-N 471.558 2.278 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1CC(F)(F)C1 1749129661 GEYBFFPJOABYDM-KURKYZTESA-N 489.589 2.074 30 10 JEEE C=C(C)Cn1c(CCOc2ccccc2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1749200426 GFQCSYKACHXGDJ-OFNKIYASSA-N 452.603 2.465 30 10 JEEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1csc(C)n1 1749269874 YDFNGXRZIJRGEM-HZPDHXFCSA-N 473.024 2.470 30 10 JEEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1749630566 YFEIUSYHBQFGTF-VQTJNVASSA-N 476.622 2.321 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCC2(CC1)COC(=O)N2 1749658332 NQBVZKZEXKTKST-UHFFFAOYSA-N 493.337 2.228 30 10 JEEE CC(C)(CN1CCCC1)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](C#N)C1 1750528901 HNLCNMVVHKEMOW-IBGZPJMESA-N 472.615 2.199 30 10 JEEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1760129393 LRUTYKGNTFYORD-HNNXBMFYSA-N 463.464 2.234 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@]1(N(C)C)CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1760185305 VBYKZLDULCZBTQ-SKPFHBQLSA-N 472.659 2.421 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1Cc1cccc(C(F)(F)F)n1)[C@H]1CCS(=O)(=O)C1 1760190866 VMJALZRCXZXGCN-INIZCTEOSA-N 453.490 2.319 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCN(CCC)C1 1760212800 FPRQMLAEOWOAGM-OAQYLSRUSA-N 482.654 2.390 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@]1(O)CCO[C@H]1C 1760232773 LDGUBGFIXFPQBL-BXKMTCNYSA-N 450.543 2.064 30 10 JEEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCN2CCOC(C)(C)C2)CC1 1760260717 CYDKEPZJJPGMKR-UHFFFAOYSA-N 466.630 2.340 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCC2(O)CCOCC2)CC1 1760265786 JHDNTDJNCXHMHZ-IBGZPJMESA-N 499.587 2.455 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCC(=O)NCc2ccccc2)CC1 1760269789 OWQXNEJVYLQWIX-QFIPXVFZSA-N 478.597 2.192 30 10 JEEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)c1ccccc1 1760281553 OIXDLZIXVMXBLM-IEBWSBKVSA-N 463.629 2.175 30 10 JEEE C=C(Br)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(OCC(N)=O)CC1 1760308415 DOSYOFOINGPPQS-UHFFFAOYSA-N 452.328 2.387 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(NC(C)=O)CC1 1760326063 TZFMIVSVEAJKGD-LAUBAEHRSA-N 472.615 2.356 30 10 JEEE C=CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1760507735 BBVVTYJSYXEMIH-UHFFFAOYSA-N 457.966 2.120 30 10 JEEE C=CCn1c(-c2cccn2C)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)C2(CCS(=O)(=O)CC2)C1 1760508537 PSMSKYBPNSXQQC-GOSISDBHSA-N 490.630 2.378 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@@H](COC)C1 1760515476 UXXLWNVPYMXXTN-QGZVFWFLSA-N 460.966 2.027 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1760526041 BEYZHLUAAVSDIT-IBGZPJMESA-N 466.586 2.271 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1760556831 RFJQCQUIZHCQOP-QFIPXVFZSA-N 487.670 2.327 30 10 JEEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC2(CCN(C)C2=O)CC1 1760559306 LUVSXSPQAOOUQR-UHFFFAOYSA-N 455.588 2.293 30 10 JEEE CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)N(C)C2CC2)CC1 1762053804 BZUQRPPDMBOPFC-VQTJNVASSA-N 478.645 2.336 30 10 JEEE CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(C#N)cc1)N1CCCC1 1762323978 FLTNNWGSSCRJOJ-YLJYHZDGSA-N 459.620 2.271 30 10 JEEE CCN1CCN([C@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(CNC(C)=O)CC2)CC1 1767099755 HKLRUHZNSDQSCU-HXUWFJFHSA-N 478.645 2.195 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@@H](C(=O)NC)C1 1772660077 VRSPGFLIFAVOHM-OAHLLOKOSA-N 482.006 2.170 30 10 JEEE C=CCN(CC=C)C(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1c(Cl)cccc1Cl 1865728820 JDSPZTQRNDMUQC-OAHLLOKOSA-N 477.348 2.286 30 10 JEEE CC(C)(C)OC(=O)N(CCC(=O)N[C@@H](CO)C(=O)Nc1ccc(C#N)cc1)Cc1ccncc1 1867086668 ZGZPHQRPWBUWOB-FQEVSTJZSA-N 467.526 2.196 30 10 JEEE N#Cc1nnn(Cc2cc([N+](=O)[O-])cc3c2OCOC3)c1NC(=O)COc1cc(F)ccc1F 1870111706 ZYWOUNPTZYBASK-UHFFFAOYSA-N 472.364 2.268 30 10 JEEE C=CCn1cc(OCC(=O)Nc2ccc([C@H](C)CC)cc2)c(=O)cc1CN(CCO)CCO 1870663820 XMKYYWOFXVDAQU-LJQANCHMSA-N 457.571 2.352 30 10 JEEE CN1CCN(CC#CCOC2CCN(S(=O)(=O)c3ccccc3OC(F)(F)F)CC2)CC1 1889684356 MPSKKCXLGCWDJV-UHFFFAOYSA-N 475.533 2.006 30 10 JEEE CC(C)(C)OC(=O)N1CC(O)([C@@H](F)C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2124536174 PNOJYLQOCKSINX-INIZCTEOSA-N 450.316 2.244 30 10 JEEE CC(C)(C)OC(=O)NCC[S@@](C)(=O)=NC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2247840221 JLDQOXLNSUMTBQ-SSEXGKCCSA-N 459.399 2.205 30 10 JEEE Cc1cc(S(=O)(=O)NCCONC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2255740058 UPZOAANRBCPCPS-UHFFFAOYSA-N 456.370 2.029 30 10 JEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NCC1(O)CN(C(=O)OC(C)(C)C)C1 2255826570 BMHQNOWYOZDREM-UHFFFAOYSA-N 452.382 2.067 30 10 JEEE CC(C)(C)OC(=O)N[C@@]1(CNC(=O)c2csc(B3OC(C)(C)C(C)(C)O3)c2)CCOC1 2255854272 ABYQVUZPHHEANO-OAQYLSRUSA-N 452.382 2.461 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1COC[C@@H]1CNC(=O)OC(C)(C)C 2267127700 KXFGPSUGPHTXCI-UONOGXRCSA-N 467.397 2.020 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC[C@H](CNC(=O)C(F)(F)F)C1 2267137510 NQPLFXHCWVHPQX-GFCCVEGCSA-N 461.315 2.281 30 10 JEEE CC(C)(C)OC(=O)NCCN1CCN(C(=O)c2ccsc2B2OC(C)(C)C(C)(C)O2)CC1 2267170261 SUDJJSJEOZKANZ-UHFFFAOYSA-N 465.425 2.330 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@](C)(CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)C1 2267287439 WGRZGDOTPUPPCJ-QFIPXVFZSA-N 450.341 2.335 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2[C@H](NS(=O)(=O)c3cccc(B4OC(C)(C)C(C)(C)O4)c3)[C@H]2C1 2267372585 QFYVPLVTRDSQSV-PIIMJCKOSA-N 464.393 2.129 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@]2(NS(=O)(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2267375511 IIUFCGRFGDDMEI-QRQCRPRQSA-N 464.393 2.274 30 10 JEEE CC1(C)OB(c2ccccc2S(=O)(=O)NC2[C@H]3CN(Cc4ccccc4)C[C@H]23)OC1(C)C 2267376315 UDALDWDJWRHLTP-OALUTQOASA-N 454.401 2.395 30 10 JEEE CN1CCN(C(=O)OC(C)(C)C)[C@H](CNC(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2267482191 ZVKSCGCLDJSULF-OAHLLOKOSA-N 465.425 2.328 30 10 JEEE CCc1nn(C)c(C(=O)N(C)CCN(C)C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267506540 ZGJPGLHLSOSKPI-UHFFFAOYSA-N 450.389 2.221 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(CNC(=O)[C@@H]2C[C@H](O)CN2C(=O)OC(C)(C)C)s1 2268628649 KTCDBLHTUQIMLG-HOCLYGCPSA-N 466.409 2.342 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H](C(=O)NCc2sccc2B2OC(C)(C)C(C)(C)O2)C1 2268629095 QUXBTAQTQAXHMW-HUUCEWRRSA-N 466.409 2.281 30 10 JEEE COC[C@](C)(NC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2268655642 OEUZJPRSEAHCQY-NRFANRHFSA-N 453.320 2.388 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@]12CC[C@H]1CN(Cc1ccccc1)C2 2282020230 WEIFNMHHHBHVMX-DFBJGRDBSA-N 450.392 2.361 30 10 JEEE Cn1cc(C(=O)N2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)nc1B1OC(C)(C)C(C)(C)O1 2282053668 WQEGSIGBPJJIHU-HOTGVXAUSA-N 460.384 2.048 30 10 JEEE CC1(C)OB(c2cccc(S(=O)(=O)NC[C@@H]3CCCN(C(=O)C(F)(F)F)C3)c2)OC1(C)C 2282345157 NXMUPJYLMHJZSR-AWEZNQCLSA-N 476.326 2.065 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@](CO)(NC(=O)c2c(F)cccc2B2OC(C)(C)C(C)(C)O2)C1 2282479658 VDXYXQVFKDBYBZ-QHCPKHFHSA-N 464.343 2.227 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](NC(=O)c2ccc(F)c(B3OC(C)(C)C(C)(C)O3)c2)C1 2282479913 YYADRKSFDKCELV-ZWKOTPCHSA-N 464.343 2.225 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CC12CC(NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1)C2 2282496777 HKFZWCDXACYDEZ-DYDLGINISA-N 499.464 2.308 30 10 JEEE Cc1nc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2CO)c(B2OC(C)(C)C(C)(C)O2)s1 2282511800 DMOLODIYTMYRII-CABCVRRESA-N 481.424 2.098 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)[C@H](CC(F)F)C1 2282584850 HEPHMJZOURGINR-CYBMUJFWSA-N 470.326 2.426 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2CCO[C@]2(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)C1 2282608127 QLCPJKBDDDNDBM-JLCFBVMHSA-N 479.408 2.198 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@](O)(CCNC(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2282656656 VEKJRYBXEIIVIW-DEOSSOPVSA-N 460.380 2.478 30 10 JEEE C[C@@H]1CC[C@@H](NC(=O)C(F)(F)F)CN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1O 2282983677 RPWMMQNYPDKQHA-TZMCWYRMSA-N 456.270 2.363 30 10 JEEE Cn1cc([C@H](NC(=O)OC(C)(C)C)C(=O)Nc2ccccc2B2OC(C)(C)C(C)(C)O2)nn1 2283967844 HORMIAGRVAZYCE-KRWDZBQOSA-N 457.340 2.319 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N[C@@H]1COCCN(C(=O)OC(C)(C)C)C1 2285206966 ZSFITJFRFYQGAI-KRWDZBQOSA-N 461.368 2.055 30 10 JEEE COC[C@@H](ONC(=O)OC(C)(C)C)C(=O)NCc1ccc(C)c(B2OC(C)(C)C(C)(C)O2)c1 2296176030 GWPGZIDMVUJUFE-GOSISDBHSA-N 464.368 2.382 30 10 JEEE CCOc1cc(C=Nn2c(SCC(=O)OC)nnc2[C@H]2CC(=O)N(C(C)C)C2)ccc1O 2329035244 RTLHJVTULQTTPJ-HNNXBMFYSA-N 461.544 2.254 30 10 JEEE COC(=O)c1ccc(C=Nn2c(CNC(C)=O)nnc2SCC(=O)Nc2ccccc2F)cc1 2330718853 XCLUPEOVDCZUNV-UHFFFAOYSA-N 484.513 2.453 30 10 JEEE COc1[nH]c(=NCCOCCCNC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2339788766 UTYGFVBRLZPNSC-UHFFFAOYSA-N 451.373 2.155 30 10 JEEE Cc1c(C(=O)N(C)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2F)c(B2OC(C)(C)C(C)(C)O2)nn1C 2369669792 MUHGQQPSAOGJKB-LSDHHAIUSA-N 466.363 2.057 30 10 JEEE C=CCNC(=O)CN1CCN(C(=O)CSc2nnc(-c3ccccc3)n2[C@H](C)CC)CC1 504313791 JYRUAJGAFOAZTE-GOSISDBHSA-N 456.616 2.455 30 10 JEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COc2ccccc2OCC(F)(F)F)CC1 609010112 YWDZYNHQYKHYDU-UHFFFAOYSA-N 483.468 2.411 30 10 JEEE C=CCN(Cc1cccc([N+](=O)[O-])c1)Cn1nc(C[C@H]2CCS(=O)(=O)C2)n(C)c1=S 745155209 KGAIUBZBKRBBBL-MRXNPFEDSA-N 451.574 2.482 30 10 JEEE C#CCn1ccc(CN(CCOC)C(=O)c2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)n1 1128570250 KUIMOAXMCWRIDL-IBGZPJMESA-N 458.584 2.226 30 10 JEEE C#CCNC(=O)CN1CCCN(C(=O)c2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)CC1 1136632614 DXGGVUCIDXEKRH-UHFFFAOYSA-N 454.571 2.272 30 10 JEEE C#CCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1Cc1cccnc1N1CCOCC1 1286359155 RZVOXIRBLZHZIT-UHFFFAOYSA-N 459.554 2.497 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1CC(C)(C)N1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1286387549 SDQAOMJPEMDRQO-VQTJNVASSA-N 472.659 2.421 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H](C)Cc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1286389719 PKWYTILMICFNOC-ICSRJNTNSA-N 480.594 2.249 30 10 JEEE C#CCN(c1nnc(CC2CCCC2)n1C[C@H]1CSCCS1)[C@@H]1CCS(=O)(=O)C1 1286390884 FRIDZYRWFWMTME-MSOLQXFVSA-N 454.687 2.486 30 10 JEEE C#CCN(c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H](CCC)OC)[C@H]1CCS(=O)(=O)C1 1286394079 NARQPBSITKKEIC-WFXMLNOXSA-N 474.583 2.232 30 10 JEEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1C[C@@](C)(O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1286395775 NFUVIGMVJNKDHJ-HYBUGGRVSA-N 472.611 2.262 30 10 JEEE C#CCN(CC#CC)c1nnc(COc2ccc(C#N)cc2)n1CC1(NC(=O)OC(C)(C)C)COC1 1286434429 ZHYVULSKPMTSRZ-UHFFFAOYSA-N 490.564 2.485 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2CCCCN2CCC[C@@H]2CO)CC1 1286479794 XRXNEYQHMGZGCE-HSZRJFAPSA-N 454.594 2.000 30 10 JEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(OC2CCCC2)CC1 1286496354 QZHZYQKIKZQVEB-MRXNPFEDSA-N 455.650 2.183 30 10 JEEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@H](SCC)C1 1286508523 IDCQFRZQNLZUQL-ZWKOTPCHSA-N 487.717 2.089 30 10 JEEE C=C(Br)Cn1c(CCc2ccccc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1286543213 HHTKEDIJCJHAMP-UHFFFAOYSA-N 468.421 2.490 30 10 JEEE C=C(Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCC(F)F)c1ccccc1 1286617063 HSTUDOPQDGDDIG-QGZVFWFLSA-N 455.531 2.416 30 10 JEEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCN1C[C@@H](C)O[C@H](C)C1 1286722565 MLRVBWCZDKSDNQ-QZTJIDSGSA-N 451.575 2.314 30 10 JEEE C=CCN(Cc1cccs1)c1nnc(C(=O)NC(C)C)n1CC1CCS(=O)(=O)CC1 1286746816 DRBOIYQTWCIRNH-UHFFFAOYSA-N 451.618 2.495 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@H](C(=O)NCCCC)C1 1286783295 JMRUETUNICXUCZ-IBGZPJMESA-N 482.585 2.151 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCO[C@H](CCC)C1 1286819242 DYECXKYHZFYSDG-MRXNPFEDSA-N 472.571 2.200 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1286821325 HMAYDRNOUJSFKF-LJQANCHMSA-N 499.641 2.353 30 10 JEEE CC(C)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)N(C)C)[C@H](C)C1=O 1287775496 AZMSCIHZNWYDJP-RBUKOAKNSA-N 453.591 2.372 30 10 JEEE CC[C@@H](C)N(C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1291773287 FLUUUBVHNKNTKK-NFBKMPQASA-N 499.685 2.104 30 10 JEEE C#CCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1300441353 LTAKKBBSPPOSCB-IEBWSBKVSA-N 458.544 2.127 30 10 JEEE C#CCN(c1nnc(C2CCC2)n1CCNC(=O)c1ccc(C)c(F)c1)[C@H]1CCS(=O)(=O)C1 1300492858 PIKPZPUBHMICBG-IBGZPJMESA-N 473.574 2.050 30 10 JEEE C#CCN(c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCOC)[C@H]1CCS(=O)(=O)C1 1300496958 WTNXPFLZECIYIH-OALUTQOASA-N 495.646 2.056 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CCCN1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1300501311 JFDLSLPMBIEOLB-QFIPXVFZSA-N 470.643 2.013 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccn3C)n2C[C@@H]2CC(F)(F)CO2)n1 1300681408 OIUZVVLXVGNDMH-SFHVURJKSA-N 459.501 2.191 30 10 JEEE C#CCSCCn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1300769410 GJOXVSNUHNNVLQ-LJQANCHMSA-N 463.991 2.218 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](c2ccc(C)cc2)N(C)C)CC1 1301085782 AFUKHMHBWNDZRT-FCHUYYIVSA-N 488.658 2.379 30 10 JEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)C[C@H]1COc2ccccc2O1 1301223300 QZBLVBJWQLTKFM-RXVVDRJESA-N 491.614 2.244 30 10 JEEE C=CCCOCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@@H](C)[C@@H](O)C1 1301252519 PCLRPDIQYQUBFG-XLIONFOSSA-N 452.559 2.475 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1C[C@@H](C(=O)NCCCC)CC[C@@H]1C 1301492303 DJCVZSCROIYZSI-HKUYNNGSSA-N 482.585 2.497 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2C[C@H](C)O[C@@H](C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1301595845 BXGIFGSKZYWLAY-XLAORIBOSA-N 483.635 2.263 30 10 JEEE C=CC[C@H](Cc1ccccc1)NC(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 1311380705 NRGIHKPKVBSNNX-OAQYLSRUSA-N 457.600 2.020 30 10 JEEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1359059425 MYULSXXDRBMXIX-UHFFFAOYSA-N 462.579 2.298 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1cccnc1)C(C)C 1359069881 AOILGWCSDFJHGH-AWRGLXIESA-N 486.642 2.438 30 10 JEEE C=C1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1359169273 AZUUUJKJPVJAQU-QRVBRYPASA-N 494.662 2.487 30 10 JEEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)OCc2ccccc2)CC1 1359208988 YKHYJMINRMPKQO-GOSISDBHSA-N 476.603 2.313 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(OCC2CC2)CC1 1359294557 XJWQCWKJRVCKQO-UHFFFAOYSA-N 473.599 2.046 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)[C@H](C)c1ccco1 1359294573 XYQCQXQQGCZQHS-MRXNPFEDSA-N 472.571 2.288 30 10 JEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCO[C@@H](Cc2ccccc2)C1 1359302276 BDPYIXJLPAVHOF-FQEVSTJZSA-N 452.584 2.384 30 10 JEEE C=CCNC(=O)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC[C@@H]1CC 1359303016 BDAFKPLLOJIPKE-NRFANRHFSA-N 451.619 2.324 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCNc1ccccn1 1507648778 RWASTOPNMPRWKH-UHFFFAOYSA-N 452.522 2.162 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCC(C(F)(F)F)CC1 1507652996 KRJCVMHPMYZZHY-DAWZGUTISA-N 487.548 2.053 30 10 JEEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2nc(C)cc(OCC)n2)CC1 1507752202 WUSDTYBHCFQDGT-IBGZPJMESA-N 471.631 2.362 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(OCCN(C)C)c1 1507773749 VYHVLNQYOGHVTQ-HYBUGGRVSA-N 471.627 2.161 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccn2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1507801377 UTIQCNROQMXQTK-FXAWDEMLSA-N 460.604 2.229 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H](C(=O)OC)C1 1507803689 CLYYKCUYMOHFFA-GJYPPUQNSA-N 459.572 2.250 30 10 JEEE C=C(C)COCCn1c(-c2ccccc2OC)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1507839596 HEQCTYLSOMMHLI-OAQYLSRUSA-N 455.559 2.374 30 10 JEEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(NC(=O)C2CC2)CC1 1507840319 ZGLHPRPIRBDQJA-UHFFFAOYSA-N 487.626 2.436 30 10 JEEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1507846841 ZLDZAVDLFIVPTF-HXUWFJFHSA-N 464.574 2.254 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC([C@H](O)c2ccc(F)cc2)CC1 1508070649 ASFCDLQJGMWTGM-JOCHJYFZSA-N 493.543 2.317 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1508078164 VXGTWWZGHDGNFT-UHFFFAOYSA-N 465.455 2.141 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1508089585 CJPILOKGDKEGJV-OAQYLSRUSA-N 482.629 2.466 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2NC(=O)CC2(C)C)C1 1508119382 WCXUPAQATUDQAG-HKUYNNGSSA-N 473.599 2.045 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN2C(=O)OC[C@@H]2C1 1508133248 GMYGVGKUFQQXON-AWEZNQCLSA-N 486.381 2.494 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1508133566 JYZYKJVFBICMBU-MJGOQNOKSA-N 461.544 2.459 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cccc(N2CCOCC2)n1 1538977984 ZEQJZOPGBVOJPO-CYFREDJKSA-N 454.575 2.057 30 10 JEEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(C(C)=O)cc2F)CC1 1539132362 JPRQRNVFAIUTBH-UHFFFAOYSA-N 452.534 2.482 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H](C)Oc1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 1539212208 SXUXKIUAHNRSRW-OALUTQOASA-N 481.578 2.443 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(C)nc3ccccc23)n1CCCNS(=O)(=O)CC 1539237968 OIBLVTGARVGIAC-UHFFFAOYSA-N 450.568 2.204 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1Cc1nnc2n1CCCCC2 1539241428 CZZONPRSESGULF-UHFFFAOYSA-N 467.375 2.485 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)nc1OC 1539391223 BKWZIAZRHWTDBW-LJQANCHMSA-N 499.568 2.420 30 10 JEEE C=C(Br)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC2(CCN(C)C2=O)CC1 1539606268 BSHWABUONMVDNG-UHFFFAOYSA-N 462.396 2.497 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(F)c1 1539631242 KKJLETULQCUGLO-NRSPTQNISA-N 493.605 2.368 30 10 JEEE C=C1CCN(c2nnc(-c3cc(Br)cn3C)n2CCN2CCCS2(=O)=O)CC1 1539835942 LXZAKEVHHGEJNH-UHFFFAOYSA-N 469.409 2.238 30 10 JEEE C=CC[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H](C)C(=O)NC)c1ccccc1 1539940691 UTZDSNRVCRZVDU-DFQSSKMNSA-N 459.616 2.358 30 10 JEEE C=CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(C(=O)NCC)CC1 1539961444 VTHMSGDSVRRBDI-UHFFFAOYSA-N 474.635 2.446 30 10 JEEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(c2cccnn2)CC1 1539986440 YVGHQNRYDOIYAN-UHFFFAOYSA-N 482.614 2.278 30 10 JEEE C=CCCCn1c([C@@H]2CCCOC2)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1539999259 YYHXDGGRTKLFCY-MKXGPGLRSA-N 495.646 2.265 30 10 JEEE COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)[C@H](C)Cc3ccc(C#N)cc3)CC2)c1 1540429048 BHNREDDIIWADSK-QGZVFWFLSA-N 457.552 2.287 30 10 JEEE C#CCN(CC(=O)Nc1ccc(N2CCOCC2)cc1N1CCOCC1)C(=O)OC(C)(C)C 1540653878 DXWJVDRAWMSDIL-UHFFFAOYSA-N 458.559 2.169 30 10 JEEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(Oc2c(OC)cccc2OC)CC1 1540853741 MCBJQZZCFRDWTJ-OAHLLOKOSA-N 465.576 2.139 30 10 JEEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(c2ccccn2)CC1 1540854774 CHFKOWUFROPSEH-UHFFFAOYSA-N 453.572 2.103 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(Cc2cccs2)CC1 1540907208 OQDMBZGINPQFHQ-UHFFFAOYSA-N 489.671 2.124 30 10 JEEE CC(C)C(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2([S@@](C)=O)CC2)CC1 1541269623 AWKVSUMNCGJCOB-JGCGQSQUSA-N 454.600 2.469 30 10 JEEE COc1ccccc1SCc1nnc(N2CC[C@@](F)(C#N)C2)n1CCNC(=O)c1cc[nH]n1 1555113942 ADQCTSFMNLSSMS-OAQYLSRUSA-N 470.534 2.174 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3csc(C)n3)n2Cc2nncn2CC)c1 1587697085 JHTNKTUETBAVCR-UHFFFAOYSA-N 475.582 2.350 30 10 JEEE C#CCCCCn1c(C2CCC2)nnc1N1C[C@@H]2[C@@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1587759543 WOFQOBDTILYKII-QYZOEREBSA-N 477.631 2.476 30 10 JEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(=O)c2cccc(F)c2)CC1 1587861287 JKEVNPGTTUWWRS-LJQANCHMSA-N 473.574 2.085 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCCN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1588039642 BCLIYIMDBGYYIW-NRFANRHFSA-N 471.627 2.456 30 10 JEEE C#CCN(c1nnc(CC)n1C[C@@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1588059356 MODJPHUNPYSJTA-OKZBNKHCSA-N 465.620 2.113 30 10 JEEE C#CCN(c1nnc(COCC)n1Cc1ccccc1CN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1588074791 RXDUJZRUPBPNFX-QHCPKHFHSA-N 485.654 2.476 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C 1588229092 QYCFTBVSSWPQOV-RTBURBONSA-N 477.631 2.146 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2C[C@H]2CCCN2c2cnn(C)c2)CC1 1588891399 PBLPIPFCIZOHGN-UYAOXDASSA-N 452.607 2.160 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cn(C)c4ccccc34)n2C[C@H](COC)OC)CC1 1588913187 BKSZZOSIWPWRNY-LJQANCHMSA-N 464.570 2.064 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@@H](C)CNC(=O)OC(C)(C)C)CC1 1588955019 OBGJHMSZOGGKKC-IBGZPJMESA-N 495.628 2.391 30 10 JEEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1589053222 KFCSPUVYSAOTKD-INIZCTEOSA-N 458.588 2.065 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)c(OC)c2)n1CCS(=O)(=O)NC(C)C 1589185657 FWDWDJBLGYKOLK-JOCHJYFZSA-N 461.588 2.282 30 10 JEEE C=C(Br)Cn1c(N2CC[C@](C)(N3CCOCC3)C2)nnc1[C@]1(OCC)CCOC1 1589459911 GSTJFRMAIMDYQC-PMACEKPBSA-N 470.412 2.140 30 10 JEEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccc(C)c2C)CC1 1593696478 QZVNTBIGSLSENC-HXUWFJFHSA-N 476.647 2.424 30 10 JEEE CCC[C@@H](C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(S(C)(=O)=O)CC1 1614348761 AVSBYUVKPLXPGD-QGZVFWFLSA-N 472.615 2.383 30 10 JEEE COc1cc(OC)c2c(c1Cl)O[C@]1(C(=O)C=C(NC3CCN(S(C)(=O)=O)CC3)C[C@@H]1C)C2=O 1615244942 SHUTZBLPONYWPA-AMXDTQDGSA-N 498.985 2.178 30 10 JEEE CCN(CC)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1615439288 GAEIERONALJAJA-FQEVSTJZSA-N 476.589 2.081 30 10 JEEE COc1cc(Cl)ccc1-c1nnc(N2CCO[C@H](C#N)C2)n1CC1(S(C)(=O)=O)CCC1 1619113283 FSCXMTDHYVLBPI-OAHLLOKOSA-N 465.963 2.303 30 10 JEEE C[C@@H](CC(=O)N(C)Cc1cnn(Cc2ccccc2)c1)/N=C1/NS(=O)(=O)c2ccccc21 1628969755 HAPZCWHIZDTROX-KRWDZBQOSA-N 451.552 2.407 30 10 JEEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(C(=O)N[C@@H](C)C(=O)OCC)cc2)cc1 1629013391 NUKMVFIJZFRZNH-HNNXBMFYSA-N 459.524 2.085 30 10 JEEE Cc1ccc(Cn2cccc(NC(=O)[C@H](C)NS(=O)(=O)c3ccc(C#N)cc3)c2=O)cc1 1637612066 HOBUHMBDZQNSFS-KRWDZBQOSA-N 450.520 2.382 30 10 JEEE CS(=O)(=O)Nc1ccc(S(=O)(=O)N2CCC(Oc3cccc(C#N)c3)CC2)cc1F 1661430140 GUSVGOWGLKSTNJ-UHFFFAOYSA-N 453.517 2.301 30 10 JEEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccccc1F)[C@H]1CCS(=O)(=O)C1 1689982319 KRKZTBPWRQINTG-WMZHIEFXSA-N 476.574 2.133 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1Cc1ncnn1C(C)(C)C 1690004908 KOYNIROHWMUBEY-UHFFFAOYSA-N 463.542 2.439 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1CCN(C(C)=O)CC1 1690090874 AUTWCNLKZHCILI-NRFANRHFSA-N 487.601 2.218 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccccc3Br)n2C[C@H]2CCCN2CCCO)CC1 1690119627 LRMNHTHGCLIFET-LJQANCHMSA-N 487.446 2.310 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)CCN1CCOC(C)(C)C1 1690234901 QQAKFDMDAHGYRG-UXHICEINSA-N 460.623 2.042 30 10 JEEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 1690485229 NSZGUFZUKFVIDJ-GOSISDBHSA-N 490.605 2.046 30 10 JEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)c1cccc(Cl)c1)C1CC1 1690545247 MHISCEVWQLYDTF-KNQAVFIVSA-N 496.033 2.327 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CC[C@@H](COCC)C1 1690668971 PBWNGRBEYKEFKP-GOSISDBHSA-N 479.585 2.401 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1690729126 HERURDVTQBSSCY-YZZKKUAISA-N 494.589 2.370 30 10 JEEE CC(C)C(=O)NCCn1c(-c2ccc[nH]2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1691515068 BUJDMJVVMLNZSN-UHFFFAOYSA-N 450.522 2.383 30 10 JEEE C[C@@]1(C#N)CCCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1692842071 AEUYSKYNLIUVLQ-PMACEKPBSA-N 467.954 2.417 30 10 JEEE CC[C@@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC(C)(C)N1CCOCC1 1694124975 BYMSAYFYTDRAPD-RTBURBONSA-N 467.622 2.279 30 10 JEEE C#CCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1705528818 SULPSVQLRTYDJD-UHFFFAOYSA-N 466.586 2.120 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1CCc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1705564395 NOJQTKVFCMTHJU-IBGZPJMESA-N 451.552 2.218 30 10 JEEE C#CCN(c1nnc(-c2nnc(O)c3ccccc23)n1CCC(C)C)[C@@H]1CCS(=O)(=O)C1 1705564737 CKKVFXOMZHCVEX-MRXNPFEDSA-N 454.556 2.267 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H](C(CC)CC)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1705565433 HMLYLSVZCRCZPQ-RBBKRZOGSA-N 488.658 2.037 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCS(=O)(=O)C(C)(C)C 1705620422 SYJMAXXXUNNXOI-SFHVURJKSA-N 496.630 2.172 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCC[C@H]2C)n1 1705631205 WQYWSYHCZILAFB-UXHICEINSA-N 453.591 2.433 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2Cc2nnc(C)s2)CC1 1705639529 QGXYIGHSDGGYNZ-SFHVURJKSA-N 486.646 2.356 30 10 JEEE C#CCSCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCO[C@@H](C(=O)NC)C1 1705653216 BZVDRVONJLVBPP-AZUAARDMSA-N 457.600 2.353 30 10 JEEE C#CCSCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1705656977 OXADZOXLPVNURZ-GOSISDBHSA-N 470.599 2.275 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC(NC(=O)C(C)C)CC1 1705705435 HTJUBTBFKHNAOH-GCJKJVERSA-N 458.607 2.123 30 10 JEEE C=CCOc1ccccc1Cn1c(-c2cnn(C)c2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1705912255 FABDYPNOMUUNNO-UHFFFAOYSA-N 485.614 2.152 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1Cc1ccc(-n2cccn2)cc1 1706867934 HTDNNAHLRBBMNL-KRWDZBQOSA-N 468.587 2.252 30 10 JEEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1Cc1ccc(C[S@@](C)=O)cc1 1709136883 ARNAMIWUAFWQGT-MGBGTMOVSA-N 466.615 2.008 30 10 JEEE C#CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC(C(=O)OC)CC1 1722328826 ZCFKEJOCKFTDPN-UHFFFAOYSA-N 458.588 2.349 30 10 JEEE C#CCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1722329067 CPPNWXQFMVYYAC-SFHVURJKSA-N 452.559 2.124 30 10 JEEE C#CCCCn1c(-c2ccc(OC)cc2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1722330153 QAHHZKKYVFYIRR-UHFFFAOYSA-N 478.597 2.307 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccc(COCCOC)cc1)[C@@H]1CCS(=O)(=O)C1 1722359439 SULINNUMJGRPPA-OAQYLSRUSA-N 474.627 2.414 30 10 JEEE C#CCN(c1nnc(-c2ccccc2)n1C[C@]1(N(C)C)CCSC1)[C@H]1CCS(=O)(=O)C1 1722363780 VMDKMKVEZHGTKQ-SIKLNZKXSA-N 459.641 2.009 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccccc2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1722424615 SPOKDTPHBLTJGP-RTWAWAEBSA-N 457.600 2.235 30 10 JEEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2CC2(C(N)=O)CCCC2)CC1 1722441370 JDIIAWZNYDXLOO-UHFFFAOYSA-N 450.587 2.275 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(F)c(COC)c2)CC1 1722449423 JJEWXHUUKAWPPH-UHFFFAOYSA-N 493.587 2.439 30 10 JEEE C=CC[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(C)=O)CC1)c1ccccc1 1722595047 SPWKNRJRRUEILV-XLIONFOSSA-N 474.631 2.353 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](C)N1CCOCC1 1722672743 YBKRVDKNVLQNQI-PMACEKPBSA-N 476.622 2.486 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@]2(CCCOC2)C1 1722691434 QGPZDHJQMRCZKE-HSZRJFAPSA-N 472.977 2.171 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 1722698540 HKYYQBPQUJVEBG-MSOLQXFVSA-N 462.595 2.215 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCc2ccc(OC)cc2)nnc1N1CCOCC2(CC2)C1 1722730351 PKYNSGDLNXJWKT-UHFFFAOYSA-N 460.600 2.290 30 10 JEEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1722740728 SDHHWTAODLUKFD-SFHVURJKSA-N 457.560 2.383 30 10 JEEE C=CCSCCn1c(N2CCC[C@H](N3CCCS3(=O)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1722740792 YTRBGHOOVWVYSV-SIKLNZKXSA-N 499.703 2.242 30 10 JEEE CN(C)CCOc1cccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC(CC#N)CC2)c1 1729337803 DWHZJHHDKNRSIO-OAQYLSRUSA-N 451.575 2.348 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2CC(C)(C)C(=O)NC)c1 1740563854 ZFIACOCXDWOHMP-GOSISDBHSA-N 452.559 2.001 30 10 JEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1CCc1cn[nH]c1)[C@@H]1CCS(=O)(=O)C1 1740626342 UCWBWWDBTNETHF-LJQANCHMSA-N 458.975 2.115 30 10 JEEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1CCn1cc(C)cn1)[C@@H]1CCS(=O)(=O)C1 1740626496 BEGZUXKFJGTKAX-LJQANCHMSA-N 489.001 2.342 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCCN(C)[C@@H]2c2cccs2)CC1 1740689017 NWJFCMOVAFNNNN-CTNGQTDRSA-N 469.659 2.316 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H](C)Oc2ccc(F)cc2)CC1 1740692987 SBIZOUYVYXSVNX-DVECYGJZSA-N 457.550 2.292 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2Cc2cnccc2OC)CC1 1740708538 SQCKBRSRHAJUKX-UHFFFAOYSA-N 450.568 2.348 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2cscn2)CC1 1740750685 SVIAEILEVKIFOF-IEBWSBKVSA-N 459.620 2.176 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1740765796 CLOQCCXWPJJGST-ZLFGVDQTSA-N 474.533 2.338 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@]1(O)CCN(C)C1 1740914896 NBUZNDRTYKYLNS-CLJLJLNGSA-N 480.613 2.450 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@H](c2nccs2)C1 1740955435 UOWXZRWIVILEFK-SFHVURJKSA-N 470.555 2.299 30 10 JEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N(CC)C[C@H]1COc2ccccc2O1 1740963470 LTLSVNXAWAQRCK-IBGZPJMESA-N 465.558 2.108 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1740968368 IKSFPKWRPMDVNT-TZIWHRDSSA-N 468.602 2.186 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc3c(c2)OC(C)(C)O3)C1 1740971915 AFVIIKQWPMNTOR-RDJZCZTQSA-N 477.587 2.225 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccc3C)n2CCN2CCN(C(C)=O)CC2)C1 1740981532 PIIAKHOYSIUFSW-HSZRJFAPSA-N 452.603 2.123 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1740987404 GBOHLJAQXKLMEG-UHFFFAOYSA-N 490.674 2.442 30 10 JEEE CC(C)C(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)N(C)C)CC1 1741280765 FJEQCNHXWWLWLT-SFHVURJKSA-N 453.591 2.420 30 10 JEEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCN1C[C@H](C)O[C@H](C)C1 1748791564 VUAULJFNRZZEIO-BGYRXZFFSA-N 452.607 2.021 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CCCc1nccs1)[C@@H]1CCS(=O)(=O)C1 1748805970 YQQXJLNUMALOSF-GCJKJVERSA-N 493.655 2.035 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1ccnc(C(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 1748818338 YXQSHFXKMRJVFJ-IAGOWNOFSA-N 483.516 2.261 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CC(C)(C)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1748818657 DAFQETODUWCISD-INIZCTEOSA-N 455.506 2.479 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1CCNS(=O)(=O)c1ccc(C)s1 1748860166 XJGUZEFPXYRUQD-HXUWFJFHSA-N 497.602 2.212 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(CNC(=O)c2cccs2)n1CC(=O)N(C)C 1748947065 ZSJWCGGFELYNGE-UHFFFAOYSA-N 454.531 2.137 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1nccnc1C 1748964960 OBQJUGJCJHHBHQ-FQEVSTJZSA-N 485.589 2.014 30 10 JEEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(Cc2cnc(C)s2)CC1 1749050115 VZUUTBCIDANFCX-ICSRJNTNSA-N 476.672 2.456 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(CC)CC)n1C[C@]1(N2CCOCC2)CCSC1 1749051381 GWDUZVLACCHCDT-DNQXCXABSA-N 474.675 2.397 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(CC)CC)n1C[C@@]1(N2CCOCC2)CCSC1 1749051382 GWDUZVLACCHCDT-RPWUZVMVSA-N 474.675 2.397 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCNC(=O)C1 1749130323 KQLYIRGTQIWSLL-AZUAARDMSA-N 474.606 2.310 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccc2F)nnc1N1CCN(CCOC)C(=O)C1 1749134084 UJYZYWPUNROKID-CVDCTZTESA-N 457.550 2.284 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1749135430 FCPRQTPOGFPSNW-JTSKRJEESA-N 493.605 2.495 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1749175304 CZKFINXDPDIITH-RTBURBONSA-N 458.588 2.019 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)CCC2CCCC2)CC1 1749226361 OXYCYNSOXCPOFZ-FQEVSTJZSA-N 458.607 2.441 30 10 JEEE C=CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1749430093 IXVCIRBDPVBRRN-UZUQRXQVSA-N 460.579 2.269 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC[C@@H](n2cncn2)C1 1749661076 XIUFGLWLFCEGTB-GOSISDBHSA-N 466.546 2.088 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCNC(=O)c2ccc(C)c(F)c2)C1 1749694193 PQBQFXDAUZDKFJ-IBGZPJMESA-N 470.549 2.173 30 10 JEEE CS(=O)(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2CCCCC2)CC1 1750209229 DQYAFSOBYGTRJV-UHFFFAOYSA-N 458.588 2.391 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@H](C1CCCCC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1760190679 UBMJFGDZAHEQRA-XZOQPEGZSA-N 484.670 2.401 30 10 JEEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1C[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1760191797 NIASYZBXLFHVMZ-WOJBJXKFSA-N 458.584 2.137 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCN1CCC[C@@H](C)C1 1760226669 IKSMQYRYQAYZIJ-LJQANCHMSA-N 458.632 2.387 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCO[C@@H]1C(=C)C 1760247731 MSGRAYOTHSGREV-XMSQKQJNSA-N 462.554 2.259 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)Oc1ccc(Cl)cc1 1760249738 RNPKUZDXQSZTIU-SJORKVTESA-N 466.991 2.387 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CC[C@](O)(c2cccc(F)c2)C1 1760556065 UAXXYMIOGJEJEF-VGOFRKELSA-N 464.563 2.010 30 10 JEEE C=CCS(=O)(=O)CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCNC(=O)CC1 1760558721 YDCQKYURJQVGEZ-UHFFFAOYSA-N 470.020 2.151 30 10 JEEE CCc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1764911732 HMTZKTXLJAEESG-QFIPXVFZSA-N 482.608 2.121 30 10 JEEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)N(CC)CC)C1 1765671134 AFYZKWZRXNEIDL-PXNSSMCTSA-N 459.620 2.065 30 10 JEEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@@H](C)CN1CCCCC1 1767941472 CTNSTCSLFFJXNC-PMACEKPBSA-N 467.622 2.313 30 10 JEEE CS(=O)(=O)C1(Cn2c(COc3ccccc3F)nnc2N2CC[C@@](F)(C#N)C2)CCC1 1770309410 HENCTQIGOSCUEW-LJQANCHMSA-N 451.499 2.405 30 10 JEEE C=CCOC(=O)NS(=O)(=O)c1ccc(CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 1858965206 PJFGFXQJBOIQCJ-UHFFFAOYSA-N 464.412 2.034 30 10 JEEE COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2C[C@H](C)O)cc1 1862574850 VIORCQBQQWNPEO-RBZFPXEDSA-N 455.463 2.450 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)Nc2ccccn2)cn1CCCN1CCOCC1 1870500982 ATLSHZBOHZSKNS-UHFFFAOYSA-N 481.597 2.157 30 10 JEEE Cc1ccc(F)cc1S(=O)(=O)N1CCC(OCC#CCN2CCN(C(C)C)CC2)CC1 1889649636 HONXVNMXJRAKCH-UHFFFAOYSA-N 451.608 2.333 30 10 JEEE CC(C)N1C(=O)CS[C@@H](C(=O)N2CCN(c3cnsn3)CC2)[C@H]1c1ccc(C#N)cc1 1892102214 FKFJBCVBEXPVDR-WOJBJXKFSA-N 456.597 2.152 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@](O)(CC(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C1 2256639203 MSNDGIMPWASRQI-HXUWFJFHSA-N 453.370 2.143 30 10 JEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2267191679 GKYRLYTVDIUPGB-UONOGXRCSA-N 467.397 2.197 30 10 JEEE CC1(C)OB(c2cnccc2C(=O)N[C@@H]2COCCN(C(=O)OCc3ccccc3)C2)OC1(C)C 2267480141 VLIKAPXKWVOPAN-IBGZPJMESA-N 481.358 2.148 30 10 JEEE COc1ccc(NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)O)c(B2OC(C)(C)C(C)(C)O2)c1 2268647547 ZVUOEXWJRYHDDK-CXAGYDPISA-N 450.341 2.207 30 10 JEEE C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)CO1 2268710541 ITADUXAWEVAPFG-UKRRQHHQSA-N 467.397 2.083 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2cccc(F)c2B2OC(C)(C)C(C)(C)O2)[C@H](O)C1 2281778568 VNPNXJSJHNOEFN-IAGOWNOFSA-N 464.343 2.225 30 10 JEEE CC(C)(C)OC(=O)N1CC2(CC[C@@H](CNC(=O)c3ncsc3B3OC(C)(C)C(C)(C)O3)O2)C1 2282024967 IIYXFIQTAFDLQO-AWEZNQCLSA-N 479.408 2.341 30 10 JEEE Cc1c(C(=O)N[C@@]23CC[C@@H]2CN(C(=O)OC(C)(C)C)C3)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282058992 CDKXUSAXBZTFBM-IQMFZBJNSA-N 460.384 2.157 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H](NC(=O)OC(C)(C)C)CC12CCC2 2282532770 BWGBPVOETZKIIW-HNNXBMFYSA-N 460.384 2.381 30 10 JEEE CCn1cc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2SC)nc1B1OC(C)(C)C(C)(C)O1 2282540823 OZQMQCPTRPPODU-HOCLYGCPSA-N 480.440 2.283 30 10 JEEE CCCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H]1COC[C@@H]1NC(=O)OC(C)(C)C 2282541137 TUIHJDMKAVTECI-IRXDYDNUSA-N 463.384 2.219 30 10 JEEE Cn1ncc(C(=O)N2C[C@H]3CCN(Cc4ccccc4)C[C@@H]3C2)c1B1OC(C)(C)C(C)(C)O1 2282558824 LKIAMTZSUOPIOQ-WOJBJXKFSA-N 450.392 2.313 30 10 JEEE CCc1nn(C)c(C(=O)N2CC[C@H](CNC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2282559288 IDCCWRJADDWPPC-OAHLLOKOSA-N 462.400 2.269 30 10 JEEE CN(C(=O)OC(C)(C)C)[C@H]1CN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CC12CC2 2282612261 DSIPREJMIIYNDG-INIZCTEOSA-N 458.368 2.247 30 10 JEEE CC(C)(C)OC(=O)N1CCOCCN1S(=O)(=O)c1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2282845750 YSESXDXYBLIYTH-UHFFFAOYSA-N 486.371 2.298 30 10 JEEE COC[C@]1(C(=O)N[C@@H]2CCC=C2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)CCO1 2283960244 WASBVDZLEYMVFA-HXOBKFHXSA-N 466.384 2.475 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCCN(CC(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)C1 2283988529 WVCSRURWULYGOV-KRWDZBQOSA-N 460.384 2.308 30 10 JEEE CC(C)(C)OC(=O)N[C@@]1(C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C[C@H](O)C1(C)C 2284051780 SNCANBSCHABMJK-WHEQGISXSA-N 481.424 2.113 30 10 JEEE CN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2319391574 RXUGQNSQVVBAGS-RDPSFJRHSA-N 461.628 2.324 30 10 JEEE CCOc1ccc(OCc2nnc(SCC(N)=O)n2N=Cc2cc(OC)c(O)c(OC)c2)cc1 2326655750 DYJNKXKHYDJDSB-UHFFFAOYSA-N 487.538 2.438 30 10 JEEE C=CCN(CC=C)c1nc(NC(=O)C=Cc2cc(OC)ccc2OC)n([C@@H]2CCS(=O)(=O)C2)n1 2331675332 IZCPITRCBSXSIW-GOSISDBHSA-N 487.582 2.485 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@@H](CCNC(=O)OC(C)(C)C)C2)n1C 2362332434 NHVRXIGIEGETPR-MRXNPFEDSA-N 462.400 2.405 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2C[C@H]3C[C@@H]2N(C(=O)OC(C)(C)C)C3)n1C 2362340162 MISSEOZQTSOZBM-XHSDSOJGSA-N 460.384 2.155 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)N2CC[C@H]1C2 2368741947 HHJSQIIMHXYCJD-DLBZAZTESA-N 477.436 2.471 30 10 JEEE COC(=O)c1[nH]c(C)c(/C(O)=C2/C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(OC)c(OC)c2)c1C 102502088 UVSFJXXWEWRHOR-DQVIVYRFSA-N 485.537 2.419 30 10 JEEE COc1ccc([C@H]2/C(=C(/O)c3cccc([N+](=O)[O-])c3)C(=O)C(=O)N2CCOCCO)cc1OC 102560522 ZKGOTAYPRYZNQW-LCPUNJGISA-N 472.450 2.043 30 10 JEEE COc1ccccc1OC[C@H](O)C[N+]1(O)CC[N+](O)(CC(=O)Nc2c(C)cccc2C)CC1 575231913 YCKJNXMYPXQNEP-RHKGEPBNSA-O 461.559 2.116 30 10 JEEE O=C(CN1C(=O)c2ccccc2C1=O)N[C@H]1CCN[C@H](C(=O)/C=C/c2ccc(Cl)cc2)C1 585824404 QMWOOSYOMJKBDR-XHYTXEILSA-N 451.910 2.455 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)C[S@@](=O)CC(=O)Nc2ccc([N+](=O)[O-])cc2)nc1C 586274369 LPXMEQNSQZJJOA-HKBQPEDESA-N 466.497 2.028 30 10 JEEE N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccccc2)c(=O)n1-c1cccc(Br)c1 610483471 BWBXQKBCTIZSMI-UHFFFAOYSA-N 496.386 2.023 30 10 JEEE C=CCN1CC[C@H](N(C)C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)C1=O 1128396605 OOLVVEADFFMUQW-QFIPXVFZSA-N 459.612 2.211 30 10 JEEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1286357055 QANWFOIJOPSMRR-NRFANRHFSA-N 475.597 2.275 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1ccnc(C(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 1286390656 DNXNTIXHGZKUAX-GOSISDBHSA-N 490.511 2.353 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1CCC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1286396732 YRRLEZCVXMZLRR-HXUWFJFHSA-N 460.575 2.451 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2CCc2nnc(C)s2)CC1 1286473762 WQWNLFMEVNWCRK-UHFFFAOYSA-N 475.420 2.204 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CCc2c(OC)cc(OC)cc2OC)CC1 1286480135 KLRKRNMVGWRKBN-IBGZPJMESA-N 469.586 2.196 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCN(CC)C2)CC1 1286488410 YLEJJDYWHDCXNA-SFHVURJKSA-N 465.558 2.161 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCCO[C@H]2C(C)C)CC1 1286645783 IEZRUCFWWCKNKR-UFYCRDLUSA-N 467.636 2.219 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1286666546 CLAUWDZAEKIAGS-GOSISDBHSA-N 497.579 2.495 30 10 JEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2ccccc2F)C1 1286700995 UIXVOLINXIKHTP-WOJBJXKFSA-N 479.578 2.294 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCN(CCOC)CC1 1286783117 KQWPVEMDMKJGBA-UHFFFAOYSA-N 477.407 2.087 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccc(OC)c2OC)C1 1286810335 PQBHLRURZHEOSL-ZWKOTPCHSA-N 462.572 2.027 30 10 JEEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCCS2(=O)=O)CCCO1 1291278866 DKXOJHRYFVBJQI-YLJYHZDGSA-N 459.572 2.311 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H](c1ccc(F)cc1)N(C)C 1292133183 GHVYFBUVAPKJHZ-UXHICEINSA-N 457.554 2.367 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C2CC2)ccc1F 1300307865 JIQQIQDMKLGRQQ-FOIQADDNSA-N 461.563 2.134 30 10 JEEE C#CCCCCn1c(Cc2csc(C)n2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1300368309 UYUAJOWZDOMZEK-UHFFFAOYSA-N 464.599 2.258 30 10 JEEE C#CCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1300409826 KBPJQFSTFYFATE-QFIPXVFZSA-N 466.586 2.194 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1Cc1ccc(C)cc1OCCOC)[C@H]1CCS(=O)(=O)C1 1300487395 IXDNITDAKKLVMN-NRFANRHFSA-N 497.621 2.292 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1Cc1cccnc1OCC)[C@@H]1CCS(=O)(=O)C1 1300489110 IWLPDVQKMPJACL-HXUWFJFHSA-N 481.578 2.422 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCCc1c[nH]nc1C)[C@@H]1CCS(=O)(=O)C1 1300497794 DSNIBCLUMDNLCI-OAQYLSRUSA-N 470.574 2.299 30 10 JEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](C)CN1CCCCC1 1300527121 BRVHVOZOSGJLRW-HXUWFJFHSA-N 467.643 2.433 30 10 JEEE C#CCN(CC#CC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC(=O)N1CCOCC1 1300591499 RWHQKLXAAWPOKG-UHFFFAOYSA-N 463.582 2.476 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCCc2cnn(C)n2)CC1 1300731758 UFIUEJNKEUEYSP-UHFFFAOYSA-N 490.612 2.201 30 10 JEEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1300863126 IWYZHGFXHSHDJK-OALUTQOASA-N 494.438 2.357 30 10 JEEE C=C(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1300939028 LTNSPURXJADADB-UHFFFAOYSA-N 456.547 2.113 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1[C@H]1CCCO1 1301151698 OYVKAYIMMXSESM-QRVBRYPASA-N 467.636 2.361 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1301577344 IBNURMZILACNET-IBGZPJMESA-N 489.642 2.244 30 10 JEEE C[C@H](CC#N)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1([S@](C)=O)CCC1 1303627105 DGPCQHMJTKIKNK-MKTHODDLSA-N 478.644 2.235 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCc1nccs1 1305782895 FUQHBSIQEGWSQO-UHFFFAOYSA-N 479.614 2.489 30 10 JEEE C#CCN([C@H]1CCOc2ccc(Br)cc21)S(=O)(=O)c1cc(C(=O)OC)no1 1309192951 ICHIDTOZQYFRQZ-AWEZNQCLSA-N 455.286 2.371 30 10 JEEE CN(CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C[C@@H]2CCOC2)CC1)CC(F)(F)F 1314861532 ASHFPFYHQMFIEB-IBGZPJMESA-N 477.535 2.469 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc(NC(C)=O)nc1 1358885448 KHEGTYPVBCRPQH-HNNXBMFYSA-N 466.571 2.098 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CC(c2ccccc2)C1 1358890480 PZYGIBPBQLRRER-AXIYNFMDSA-N 457.600 2.263 30 10 JEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H]1CN(CC)c2ccccc2O1 1358929540 BZBIATSAVZMSKU-RTBURBONSA-N 457.600 2.317 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2C[C@]2(O)CCOC2)CC1 1359031407 AKJOVYFQTJNXFB-HXUWFJFHSA-N 480.794 2.268 30 10 JEEE C=CCOc1ccc(Cn2c(COCC)nnc2N2CCC([C@@H]3NC(=O)N(C)C3=O)CC2)cc1 1359308019 APZSSGHVARQCEV-NRFANRHFSA-N 468.558 2.194 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](CN2CCCCCC2)C1 1359327289 XQBDQLAPHINNOY-OAQYLSRUSA-N 492.690 2.207 30 10 JEEE C[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(C)(C)C)CC1)N1CCOCC1 1360583477 DZPZXNXGFPDZTE-FQEVSTJZSA-N 495.628 2.144 30 10 JEEE C#CCN(CC(=O)N(Cc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1)C(=O)OC(C)(C)C 1443523224 YQVUILNILDTIHR-SFHVURJKSA-N 450.557 2.081 30 10 JEEE C#CCN(C(=O)Cn1cccc(C(=O)OC)c1=O)[C@@H]1CCOc2ccc(Br)cc21 1456451633 UKIXNHVXVHTTIN-QGZVFWFLSA-N 459.296 2.383 30 10 JEEE C=CCN1CC[C@@H](N(C)CC(=O)Nc2ccccc2C(=O)Nc2ccc3c(c2)OCO3)C1=O 1460020689 SSXKOLPFMTZJGE-LJQANCHMSA-N 450.495 2.325 30 10 JEEE CCOC(=O)c1c(NC(=O)N2CC[C@H]3CN(C(=O)C(F)(F)F)C[C@H]3C2)c(C#N)cn1CC 1476762384 GLOSOUQRUIOLOC-GXTWGEPZSA-N 455.437 2.431 30 10 JEEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@](C)(O)c2ccco2)C[C@@H](C)O1 1504733322 BXOGPGMVJNWOCJ-YQOVMPOYSA-N 467.526 2.470 30 10 JEEE C#CCCCCn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1507566990 MYVHHLHXVYCIGY-UHFFFAOYSA-N 450.587 2.154 30 10 JEEE C#CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCN1CCC(O)CC1 1507610409 GSEBBYDZBSPNBL-LJQANCHMSA-N 460.623 2.309 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CCc1noc(CC)n1)[C@@H]1CCS(=O)(=O)C1 1507628399 OEKGBLYKWMRKSR-LJQANCHMSA-N 468.583 2.322 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCO[C@H]1C(C)C 1507705489 DPHLGZXPFHXRPN-FPOVZHCZSA-N 460.600 2.496 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@](C)(O)c1cccc(Cl)c1 1507763380 BIKRMCQUTXOLFI-RVHYNSKXSA-N 466.007 2.442 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)Oc1ccccc1F 1507773508 RVZLYIPFNMYLHG-KPDCDPCYSA-N 491.589 2.210 30 10 JEEE C=CCCOCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CC(=O)NC(C)(C)C 1507962083 MSSYLMLRGXRGTD-UHFFFAOYSA-N 467.574 2.136 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccccn2)n1C[C@]1(O)CCS(=O)(=O)C1 1508007654 FAQKSOHQFHWIHW-HSZRJFAPSA-N 471.558 2.145 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@H](NC(C)=O)C1 1508072885 HTVPCWZBAVKAQS-YJBOKZPZSA-N 460.966 2.479 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CCC(S(C)(=O)=O)CC1 1508078176 WJHZDMVCGXZRNW-UHFFFAOYSA-N 488.433 2.085 30 10 JEEE C=CCOc1ccccc1Cn1c(N2CCNC(=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1508107668 FHEBVLILDMLWLN-XMMPIXPASA-N 455.559 2.258 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(Cc1ccccc1F)C1CC1 1508129916 FAOUHOZPPXPJOT-UHFFFAOYSA-N 461.563 2.423 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cn(C)c3ccccc23)nnc1N1CC[C@@H](C(=O)OC)C1 1508137657 PFZSCGGCJOPDAU-MRXNPFEDSA-N 457.556 2.037 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCC2(CCN(C)C2=O)CC1 1508138007 UTTZPXVKWOVOQU-UHFFFAOYSA-N 461.563 2.134 30 10 JEEE C=CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1508150176 HETYCKGXUCGOAR-JOCHJYFZSA-N 492.671 2.077 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(Cc2ccccc2)CC1 1509951493 HDLSPSSZCAHHAG-AZUAARDMSA-N 472.615 2.372 30 10 JEEE CCc1cccc2c(CCn3c([C@@H]4CN(S(C)(=O)=O)CCO4)nnc3N(C)C[C@H](C)C#N)c[nH]c12 1513676704 GRXGAYWOBRQQPF-UTKZUKDTSA-N 499.641 2.493 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1Cc1ccccc1S(=O)(=O)N(C)C 1539023635 VPGDKWBCEUIUMV-GOSISDBHSA-N 477.594 2.273 30 10 JEEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(CCOC)[C@H](C)C1 1539089638 OMVMEUPNDHLHKY-GOSISDBHSA-N 458.994 2.432 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1Cc1nnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1539202857 LQGJPAGOMXAKLQ-RHSMWYFYSA-N 490.586 2.392 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Cl)n1Cc1nnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1539212583 VVFNCRYIGPQERF-CQSZACIVSA-N 462.988 2.433 30 10 JEEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1Cc1cc(C)on1)[C@H]1CCS(=O)(=O)C1 1539230153 KUZDESBGROUMGQ-FQEVSTJZSA-N 469.567 2.445 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H](C)N(C)C)CC1 1539466793 HGPREWZIIACUHR-IBGZPJMESA-N 465.602 2.063 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2cnc(C)s2)CC1 1539468634 GVUGMBWGTBOHJU-QHCPKHFHSA-N 472.615 2.098 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCOC(C)C)CC1 1539474598 VELQGPBADMFWRX-UHFFFAOYSA-N 455.559 2.353 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2C[C@@]2(O)CCOC2)CC1 1539488612 MTLBZYLGMNLXMT-MHZLTWQESA-N 495.624 2.406 30 10 JEEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 1539751227 IRKWUBBRXGSGDQ-FQEVSTJZSA-N 475.615 2.276 30 10 JEEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1540027171 QSSWIQWRMWYYPG-UHFFFAOYSA-N 455.485 2.166 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N(CC)Cc1nc(O)c2sccc2n1 1540870046 DIKJIKJMTGBWRM-AWEZNQCLSA-N 457.560 2.211 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCC(=O)NCCC)C1 1540892658 PTMGUHSZHXAYGE-MOPGFXCFSA-N 492.621 2.284 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(F)c(COC)c2)C1 1540893121 XOVUDXIIBBZFFC-IEBWSBKVSA-N 464.563 2.295 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1540900059 JZICKWSQJNZPPK-UHFFFAOYSA-N 499.000 2.188 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC(C)CC1 1540907190 NVAGJBDDMQDESF-UHFFFAOYSA-N 486.686 2.480 30 10 JEEE C=CCSCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCS(=O)(=O)CC1 1540911341 WXRZOVISNWEFBW-UHFFFAOYSA-N 468.601 2.125 30 10 JEEE C[C@H]1CCCN([C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(S(C)(=O)=O)CC2)C1 1544057366 AJXYGQZFIJYMCI-RBUKOAKNSA-N 471.631 2.019 30 10 JEEE CCCn1nc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC(C)(C)OC)c2ccccc2c1=O 1547215040 HMBFXNRDOWIGTE-MRXNPFEDSA-N 451.531 2.219 30 10 JEEE N#C[C@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H]2CCCCS2(=O)=O)CCO1 1555994407 HWXYVABZWKLUKW-ROUUACIJSA-N 465.963 2.207 30 10 JEEE C#CCN(c1nnc(Cc2c[nH]c3ccccc23)n1C[C@@](C)(O)C(C)C)[C@H]1CCS(=O)(=O)C1 1588065406 YEPXARZMWZZLOK-YADARESESA-N 469.611 2.384 30 10 JEEE C#CCN(CCOC)c1nnc(CC(C)(C)C)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1588646480 KZIZORLIVNCPBQ-RTBURBONSA-N 451.637 2.157 30 10 JEEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1Cc1cccc(N2CCOCC2)c1 1588672770 HFFHELTWIJIDDC-UHFFFAOYSA-N 463.586 2.111 30 10 JEEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2CC2CCN(C(=O)OC)CC2)CC1 1588864311 CHICKAHVAIDPHA-UHFFFAOYSA-N 466.586 2.399 30 10 JEEE C=C(Br)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1589381461 CUFFSFUONLMHDW-CRAIPNDOSA-N 487.358 2.400 30 10 JEEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 1594455345 OZGMLNGSQCSJDB-IBGZPJMESA-N 488.658 2.382 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCOC2(CCCCC2)C1 1595823936 UCVFCVXPKBDFHJ-UHFFFAOYSA-N 462.620 2.280 30 10 JEEE CC(=O)N1CCN(c2nnc(CCCc3ccccc3)n2CCN/C(O)=C2\N=CC=CC2=O)[C@@H](C)C1 1596245775 WRXGNQBKISKRKS-ZFZZVZNFSA-N 491.596 2.037 30 10 JEEE C[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(C#N)C1)c1nccs1 1611583388 GDNSLKJIXNDSTL-QINHECLXSA-N 479.632 2.001 30 10 JEEE COc1cc(OC)c2c(c1Cl)O[C@]1(C(=O)C=C(NCCS(=O)(=O)NC(C)C)C[C@@H]1C)C2=O 1615243893 KZSBMZGMMGJHSC-LAJNKCICSA-N 486.974 2.081 30 10 JEEE COCc1nc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@@H](CC(N)=O)C2)cs1 1619675268 ICZCASJNLOPUQN-KRWDZBQOSA-N 481.582 2.472 30 10 JEEE C#CC[C@H](NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccccc1 1636573336 HHWXMARZVUECNW-QFIPXVFZSA-N 453.564 2.181 30 10 JEEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCCC[C@@H]3COC(=O)NC3CCCC3)CC2)o1 1654642964 HDIOALIOOJFTQR-LJQANCHMSA-N 458.563 2.027 30 10 JEEE C#C[C@H](NC(=O)Nc1cccn(CCS(C)(=O)=O)c1=O)c1ccc(Br)cc1 1669870041 CPRSJZMMIKZBFV-HNNXBMFYSA-N 452.330 2.151 30 10 JEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(S(=O)(=O)c2ccccc2)CC1 1689874864 CUWLOIUUBOKLCX-GOSISDBHSA-N 493.655 2.135 30 10 JEEE C#CCN(c1nnc(C(C)C)n1C[C@H](c1ccccc1)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1689980403 QZXILAHKSNCQBQ-FGZHOGPDSA-N 471.627 2.102 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(OC)c2)n1CC1(NC(=O)OC(C)(C)C)COC1 1690005188 VDJFOAJLABSTRX-UHFFFAOYSA-N 451.527 2.320 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(Br)c2)n1CC1(C(N)=O)CCOCC1 1690034337 DPUXHFHMKODEJG-UHFFFAOYSA-N 470.371 2.453 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1c(CC)nn(C)c1OC 1690076762 AFMCDHSFZFMORN-IBGZPJMESA-N 487.605 2.399 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2C[C@H](C)O[C@@H](C)C2)CC1 1690136257 CHSWCIHXTLWIIA-ROUUACIJSA-N 479.585 2.095 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCN3CCN(c4ccccc4)CC3)n2CC(=C)Cl)CC1 1690150647 PARINKCEZVRTNW-UHFFFAOYSA-N 496.059 2.361 30 10 JEEE C=CC1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1690412547 VQSVHVUGOWILHD-NRFANRHFSA-N 452.527 2.099 30 10 JEEE C=CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1690480292 DZVXFDGXVVEHFQ-HZPDHXFCSA-N 458.588 2.416 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCN1CC 1690565911 XJFGCZGYOZLXLH-FGZHOGPDSA-N 488.658 2.288 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ccc(Cl)cc2)C1 1690699983 MDCGOTQKHHXXIL-WOJBJXKFSA-N 496.033 2.288 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC2(O)CCS(=O)(=O)CC2)C1 1690707231 QZRHHTANUCHXTK-LJQANCHMSA-N 481.018 2.243 30 10 JEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(c2ncccc2F)CC1 1690744254 LDGNQFVFCHCSLE-KRWDZBQOSA-N 480.635 2.350 30 10 JEEE Cc1ccnc(OC2CCN(c3nnc(-c4ccc(C#N)cc4)n3CCNS(C)(=O)=O)CC2)c1 1693286569 DJKAIMZBWORDOH-UHFFFAOYSA-N 481.582 2.117 30 10 JEEE CN(C)[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](C(N)=O)C1)c1ccco1 1696601623 GFGJPRMHIBESBO-ICSRJNTNSA-N 463.542 2.326 30 10 JEEE COC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1697096187 DEWGGDXSOZUNAI-HXUWFJFHSA-N 451.531 2.256 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1ccc(C)n(C)c1=O 1705490179 DHZHYFUYBORSSX-MRXNPFEDSA-N 457.538 2.188 30 10 JEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(OC[C@H]2CCOC2)CC1 1705517521 XIUQFTRTAUOHHN-RBUKOAKNSA-N 450.605 2.006 30 10 JEEE C#CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1705531068 XKFGTQAEBQYOIY-KRWDZBQOSA-N 476.375 2.471 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCOc1ncccc1F 1705595769 FYGNEPJBBUNPSF-UHFFFAOYSA-N 471.496 2.268 30 10 JEEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1CCCN1CCCO[C@H](C)C1 1705601720 SXSJHUNSKBPDNV-HXUWFJFHSA-N 468.627 2.233 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1705625115 XJXFBZYOONTMJO-CYFREDJKSA-N 456.543 2.386 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3sc(-c4ccccc4)nc3C)n2CCC(=O)NC)CC1 1705645059 KEIORWUHAKAEBA-UHFFFAOYSA-N 491.621 2.479 30 10 JEEE C=C(Br)Cn1c(Cc2c(F)cccc2F)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1705688425 SJKRECDQFBFMOK-MLGOLLRUSA-N 471.302 2.416 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N(C)Cc1ncnn1CC(F)F 1705895698 PMSUPLKRFANKCT-UHFFFAOYSA-N 450.881 2.394 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCC2(CCOCC2)C1 1705906471 GPXDFFFBVMCXRL-UHFFFAOYSA-N 450.543 2.428 30 10 JEEE Cc1cccc(O[C@H](C)c2nnc(N3CCO[C@@H](C#N)C3)n2CCN2CCOC[C@H]2C)c1C 1706980097 ANGNVCOQIICTRA-NRSPTQNISA-N 454.575 2.484 30 10 JEEE CC[C@H](C)[C@@](C)(O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@](F)(C#N)C1 1708339293 GLQRXIBQZGAISW-WQTXXOFMSA-N 478.594 2.434 30 10 JEEE CCN(C(=O)OC(C)(C)C)[C@H](C)Cn1c(CN2CCCC2=O)nnc1N1CC[C@](F)(C#N)C1 1709897167 DCAMHSRUDAKXDP-ZHRRBRCNSA-N 463.558 2.488 30 10 JEEE CCOC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1710391647 BWZPLDVCOHITOZ-OAQYLSRUSA-N 486.642 2.189 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@](C)(O)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 1722372410 WDNRFTNTICPAHM-XUZZJYLKSA-N 488.658 2.098 30 10 JEEE C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1CC(=O)N1CCN(c2ccccc2)CC1 1722425915 QMVCGPLRRBUXDG-UHFFFAOYSA-N 493.637 2.069 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@H]2CCS(=O)(=O)C2)CC1 1722443164 OIDUHDDTWYFQRA-OAHLLOKOSA-N 493.992 2.138 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1722494104 MORPUMMHPWJTJC-ROUUACIJSA-N 461.611 2.028 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CCN(C2CCC2)CC1 1722729530 NTQMCTKBBKWHBO-UHFFFAOYSA-N 459.616 2.153 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2ccccc2F)CC1 1722737160 VTOAXPRSHLWHQW-RXVVDRJESA-N 493.605 2.069 30 10 JEEE C[C@H]1CN(CCCn2c(COc3ccc(C#N)cc3)nnc2N2CCO[C@H](C)C2)CCCO1 1726733102 AMWYIMFNIXRLRO-VQTJNVASSA-N 454.575 2.455 30 10 JEEE N#CCCN(CC1CC1)c1nnc(COc2ccc(Cl)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1731187961 DADPOKMPBLBHRI-NRFANRHFSA-N 479.990 2.190 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(C)s1)[C@H]1CCS(=O)(=O)C1 1740617170 NGVBRVLCKYGXHH-AVRDEDQJSA-N 478.640 2.364 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCCN2CCC(C)CC2)CC1 1740689719 HKQVXYPWICUIKV-UHFFFAOYSA-N 464.618 2.193 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3COc4ccccc4O3)n2C[C@@H](C)NC(=O)OC(C)(C)C)CC1 1740696092 LWKBXHBXERRLGC-WIYYLYMNSA-N 482.585 2.459 30 10 JEEE C#CCN1CCN(c2nnc(COCC)n2CCCCn2cc(Br)cn2)CC1 1740700633 XTDNSMGRFAPHHM-UHFFFAOYSA-N 450.385 2.009 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccccc2OCC(C)C)CC1 1740708489 QYOWKRONJSPHCO-UHFFFAOYSA-N 492.624 2.449 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1740750041 KRIXSXPZQFJYRF-HOTGVXAUSA-N 476.519 2.420 30 10 JEEE C=C1CCN(c2nnc(-c3cc(Br)cn3C)n2CCCNS(C)(=O)=O)CC1 1740819240 JIWBDFGYEALQRO-UHFFFAOYSA-N 457.398 2.142 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1740953922 VYPAPBOVBYUBIK-GOSISDBHSA-N 450.503 2.403 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1740954700 FCWVORCHRTVYTG-GOSISDBHSA-N 454.575 2.387 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1740960860 DNLBUAVOICCRJN-TZIWHRDSSA-N 473.021 2.372 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1740994819 UIJNJVCNBUPAAI-GCJKJVERSA-N 452.621 2.386 30 10 JEEE CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1)OC 1744115412 AUPWMGAMTYSTFH-NVXWUHKLSA-N 496.037 2.165 30 10 JEEE CC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1)N1CCCC1 1744124348 CBXQSJYRWSNDDJ-RXVVDRJESA-N 471.631 2.161 30 10 JEEE CCc1nc(C)c(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCO[C@H](COC)C2)o1 1744456273 ALTUCJPNVLPNRL-IBGZPJMESA-N 452.515 2.488 30 10 JEEE COC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1748359501 HAQPTHHOPMTZTO-UHFFFAOYSA-N 460.542 2.062 30 10 JEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 1748732116 SUYUPMQDDQEQGV-HNNXBMFYSA-N 496.996 2.057 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1CCCN(C(C)C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1748812565 WNWWYZSOKQITGK-HXUWFJFHSA-N 460.648 2.419 30 10 JEEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1CC1(CCC)CC1)[C@@H]1CCS(=O)(=O)C1 1748821705 SYPQNUBJTMLMNN-QGZVFWFLSA-N 475.640 2.477 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1CCN1CCOCC1(C)C 1748887924 JDYIXDGGQSBOHR-UHFFFAOYSA-N 459.554 2.168 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1ccc(NC(C)=O)nc1 1748888098 NVOQYJIDQWGMIF-UHFFFAOYSA-N 466.505 2.459 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1oc2ccc(F)cc2c1C 1748929752 OZZCSWKUCGWDSA-FQEVSTJZSA-N 475.546 2.313 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCS(=O)(=O)C(C)(C)C)CC1 1748999672 BASKMMBZTFMEES-RTBURBONSA-N 465.664 2.165 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](C)Sc2ccccc2)CC1 1749009360 IKAAFDOLHALEOP-FXAWDEMLSA-N 466.611 2.376 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2Cc2cn(CCCC)nc2C)CC1 1749010776 XCILPLRBVADYFT-NRFANRHFSA-N 467.618 2.491 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCC(C)CC2)CC1 1749038223 IUBJCSUUHUXTIY-GPJFCIFZSA-N 465.689 2.247 30 10 JEEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1749115490 RJQWFPMSUORAMF-QPSCCSFWSA-N 465.414 2.169 30 10 JEEE C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1749183271 WTVUSCWXGZUVHA-UHFFFAOYSA-N 463.542 2.359 30 10 JEEE C=C(C)COCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](NC(C)=O)C1 1749230175 UMISNDNNIWDZIH-WOJBJXKFSA-N 492.621 2.284 30 10 JEEE C=CCC(C)(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(CCOC)C(=O)C1 1749364866 YNLYTGOIMXZCPA-UHFFFAOYSA-N 479.585 2.089 30 10 JEEE C=CCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1749448184 USQPEPPQJIHYTM-NRFANRHFSA-N 486.598 2.253 30 10 JEEE C=CCN(c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCNC(=O)C1CC1)C1CC1 1749519368 KEESFANEDKLBMH-GOSISDBHSA-N 460.579 2.268 30 10 JEEE C=CCn1c(Cc2ccccc2F)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1749634245 RMWPKRNJNBXHBU-UHFFFAOYSA-N 462.576 2.470 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCNC(=O)[C@@H]1CC 1749726178 YYCWORHANURNLF-YJBOKZPZSA-N 482.006 2.387 30 10 JEEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(-c2ccccn2)n1CC[S@](=O)C(C)(C)C 1752280558 FQGFKLABDFOPDI-INDDNBPWSA-N 479.614 2.264 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1760106773 GQAGEQTZLMKKRL-IEBWSBKVSA-N 452.559 2.074 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1760126844 KIEKVYJMUCIKRS-GITQUMRASA-N 483.573 2.033 30 10 JEEE C#CCCCCn1c([C@@H]2COc3ccccc3O2)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1760138652 FBSCIECOMZCRNI-RXVVDRJESA-N 454.552 2.221 30 10 JEEE C#CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CCS(C)(=O)=O)C1CC1 1760138959 NJRYDJGRWIFAMA-LJQANCHMSA-N 495.646 2.403 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@]1(C)CCCO1)[C@@H]1CCS(=O)(=O)C1 1760182808 MLPRTVYXJJVWTJ-HYBUGGRVSA-N 485.610 2.343 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CCC(=O)N[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1760183237 NWANGWPBHKMIET-NQIIRXRSSA-N 471.627 2.439 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(OC)ccc2Br)n1CCNC(=O)C1CC1 1760197083 PTNOMXXEIVVKNA-UHFFFAOYSA-N 456.344 2.315 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc3cccnc23)n1CCN/C(O)=C1\N=CC=CC1=O 1760199685 DYPATDSVQVMDGQ-ZNTNEXAZSA-N 451.490 2.093 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCc2cc(OC)ccc21 1760210860 YCZYCBAULQTIRS-AZUAARDMSA-N 469.611 2.480 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@]1(O)CCCC1(C)C 1760245290 YKIFXZPNMJTPDI-HSZRJFAPSA-N 460.600 2.376 30 10 JEEE C#CCN1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CCCSC)CC1 1760260624 ZQUYEDPOYXSRPJ-UHFFFAOYSA-N 451.600 2.183 30 10 JEEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2C[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 1760262663 VLIHZRDRSPMRNR-NRFANRHFSA-N 465.602 2.419 30 10 JEEE C#CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@]2(CNC(=O)C2)C1 1760286739 TVDDOVDRFRHOLS-SBUREZEXSA-N 474.631 2.433 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1CCS(=O)(=O)CC1 1760289185 KAWJDLUSBKQZKE-JOCHJYFZSA-N 476.624 2.166 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)c1c(C)noc1C 1760295019 LPOKFKSJNOBJMR-LZFQIVBZSA-N 476.603 2.012 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCOCC2)CC1 1760412952 VDMKLFSPEOVLDP-GOSISDBHSA-N 451.637 2.084 30 10 JEEE CCc1nn(C)c(OC)c1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1762810253 FNJTVXKRZRGDJT-GOSISDBHSA-N 483.598 2.183 30 10 JEEE CCN(CC)C(=O)CCCn1c(-c2ccccn2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1764872271 DYTRADVQDDOSLR-LJQANCHMSA-N 488.600 2.365 30 10 JEEE C=CCN(CC=C)C(=O)[C@H]1CSCN1C(=O)[C@@H]1CC(=O)N(c2ccc(C(=O)OCC)cc2)C1 1862183432 VQRLPKJAXRWIJA-UYAOXDASSA-N 471.579 2.318 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cc(OC)c(O)c(OC)c2)cc1 1862696587 STRIUVZCJUJJSO-JOCHJYFZSA-N 498.532 2.329 30 10 JEEE CC[C@@H](C)[C@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 1869929949 PMPPBJQDPLBUDE-HXOBKFHXSA-N 498.605 2.213 30 10 JEEE N#Cc1nnn(-c2ccc(Br)cc2)c1NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1870155674 ZFNCDOIMZRHITD-UHFFFAOYSA-N 496.237 2.044 30 10 JEEE C=CCN=c1nc(N2CCC3(CC2)OCCO3)[nH]c(=Nc2ccc(OCC)c(OCC)c2)[nH]1 1871597380 XLWWSOVAUHXZPG-UHFFFAOYSA-N 456.547 2.198 30 10 JEEE C=CCn1c(C(=O)NCCOc2ccc(OC)cc2)cc2c(N3CCC(C(N)=O)CC3)ncnc21 1873595777 RFQDTAMVKOLNKB-UHFFFAOYSA-N 478.553 2.136 30 10 JEEE COC(=O)c1ccc(/C=N/n2c(COc3cc(F)ccc3F)nnc2SCC(N)=O)cc1 1874261526 KDSSRLSDAQNQCQ-PGGKNCGUSA-N 461.450 2.382 30 10 JEEE CC(=O)NCc1nnc(SCC(N)=O)n1/N=C/c1ccc(OCc2ccc(C)cc2)cc1 1874432753 VYQUKOJSIURCPG-OPEKNORGSA-N 452.540 2.261 30 10 JEEE C=CCNC(=O)c1nc(C(=O)N2CCN(c3ccc(N4CCCC[C@H]4C)nn3)CC2)cs1 1889550792 WYOVXYAVRXTTLQ-MRXNPFEDSA-N 455.588 2.190 30 10 JEEE CC(C)N1CCN(CC#CCOC2CCN(S(=O)(=O)Cc3ccc(F)cc3)CC2)CC1 1889642512 MUFKIZSHYMNOQP-UHFFFAOYSA-N 451.608 2.166 30 10 JEEE COc1cc(C(=O)N2CCC(OCC#CCN3CCN(C(C)C)CC3)CC2)c([N+](=O)[O-])cc1OC 1891226728 KTIGYWPDQPAMLZ-UHFFFAOYSA-N 488.585 2.263 30 10 JEEE N#Cc1cccnc1OCC1CCN(C(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)CC1 1891499542 MPOUELQHKRIBOM-IBGZPJMESA-N 462.506 2.395 30 10 JEEE C=C1C(=O)O[C@@H]2C=C(C)[C@H](OC(C)=O)CC=C(COC(C)=O)C[C@@H](OC(=O)C(C)=CCO)[C@@H]12 2054741110 HPWMABTYJYZFLK-YSFYHYPLSA-N 462.495 2.096 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](CNC(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1O 2266996163 FZPQZEWFYCVILS-XKQJLSEDSA-N 466.409 2.441 30 10 JEEE CC(C)(C)OC(=O)NCCN(CC(F)(F)F)C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2267089858 ASQXXLOLWVIRBP-UHFFFAOYSA-N 462.278 2.238 30 10 JEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@]1(CO)CCN(C(=O)OC(C)(C)C)C1 2267124031 YLRALTWAMDUCCZ-JOCHJYFZSA-N 466.409 2.457 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H]3C[C@H]2[C@@H]3NC(=O)OCc2ccccc2)n1 2267149145 IQWPCCIVKAWVQL-YZGWKJHDSA-N 480.374 2.342 30 10 JEEE Cc1cc(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 2267152408 MPYRWKQYTIROON-JKSUJKDBSA-N 466.409 2.456 30 10 JEEE CC(C)[C@@H](CNC(=O)OC(C)(C)C)NS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2267376154 RICSLSZPGWUECV-QGZVFWFLSA-N 469.413 2.208 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)c(Cl)c2)C1 2267402922 GOWGCXKMXKXHTE-SJORKVTESA-N 466.771 2.349 30 10 JEEE CC(C)(C)OC(=O)N[C@@]1(C)CCN(S(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2267474522 WKUMTXAMITUMJS-FQEVSTJZSA-N 487.453 2.261 30 10 JEEE CC(C)(C)OC(=O)NC[C@]1(O)CCCN(C(=O)c2occc2B2OC(C)(C)C(C)(C)O2)C1 2267495589 NXBZNHXGQZPLKN-JOCHJYFZSA-N 450.341 2.071 30 10 JEEE Cn1nc(C(=O)N2CCC[C@H](CNC(=O)OCc3ccccc3)C2)cc1B1OC(C)(C)C(C)(C)O1 2267536459 JLBNXLIDJAPHOZ-LJQANCHMSA-N 482.390 2.498 30 10 JEEE Cn1cc(C(=O)NCc2ccc(B3OC(C)(C)C(C)(C)O3)s2)c(=NC(=O)OC(C)(C)C)[nH]1 2268649670 FCQRLUVCCZSHNJ-UHFFFAOYSA-N 462.381 2.480 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2C[C@@H](C(=O)N=c3nc(B4OC(C)(C)C(C)(C)O4)[nH]s3)C[C@@H]21 2268716764 VLTLRQRMOCTCEK-RFQIPJPRSA-N 464.397 2.137 30 10 JEEE CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CCc2sc(B3OC(C)(C)C(C)(C)O3)cc2C1 2268724396 KNTUKYOXXLDKMN-OAHLLOKOSA-N 466.409 2.208 30 10 JEEE Cc1nn(C)c(C(=O)N[C@@H]2C[C@H](F)CN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2281985707 LLFIKAFGKFWHRK-LSDHHAIUSA-N 466.363 2.105 30 10 JEEE Cc1ccnc(C(=O)NCCOCCN(C)C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2281998545 QBXCPRLEJCJEGU-UHFFFAOYSA-N 463.384 2.303 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCOC[C@@H]1OCc1ccccc1 2282057931 NETJMOXJQUZVNJ-OALUTQOASA-N 455.364 2.132 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CC12CC(NS(=O)(=O)c1cncc(B3OC(C)(C)C(C)(C)O3)c1)C2 2282354958 XTWGOISPFFKDAG-YSJWXEPDSA-N 479.408 2.105 30 10 JEEE Cc1c(C(=O)N2C[C@H]3CC[C@H]2CN3C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282595845 ZMTHVNXWELEKFQ-JKSUJKDBSA-N 460.384 2.252 30 10 JEEE Cc1nsc(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 2282598477 LQMAILQOCWJGNN-AVGNSLFASA-N 473.326 2.422 30 10 JEEE CC(C)(C)OC(=O)N1CCC(CO)(CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)CC1 2282634914 RXNUCTZOMXRRDQ-UHFFFAOYSA-N 464.368 2.318 30 10 JEEE Cc1c(B2OC(C)(C)C(C)(C)O2)cccc1C(=O)N1C[C@H](O)C[C@@H]1CNC(=O)OC(C)(C)C 2282682475 PEYGYIWHUCLZHX-IAGOWNOFSA-N 460.380 2.394 30 10 JEEE Cc1nc(S(=O)(=O)NC2CC(COCc3ccccc3)C2)c(B2OC(C)(C)C(C)(C)O2)n1C 2282845524 UVBUFRPSEQHAIL-UHFFFAOYSA-N 475.420 2.301 30 10 JEEE C[C@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(O)cc2O)C[C@H]1NC(=O)OC(C)(C)C 2282991383 FKPWBURVNJUHLT-XJKSGUPXSA-N 462.352 2.382 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C12CCC2 2283067482 DHBYRTHJGKSUJP-CABCVRRESA-N 458.368 2.342 30 10 JEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2283926691 RAOVJYJWYUGJPE-HUUCEWRRSA-N 481.424 2.331 30 10 JEEE CON(C(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2315642344 VSOUYIVYOSLQFZ-CYBMUJFWSA-N 453.370 2.455 30 10 JEEE COc1cc(C=CC(=O)Nc2c(C#N)nnn2-c2ccc3c(c2)C(=O)N(C)C3=O)cc(OC)c1OC 2332190497 RVAFXHWGORHDGS-UHFFFAOYSA-N 488.460 2.042 30 10 JEEE COc1nc(OC[C@@H]2COC[C@@H]2NC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2339835578 SAVYZTLVWXZDDI-HOCLYGCPSA-N 450.341 2.308 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1[C@@H]2C[C@@H]2CN1C(=O)OC(C)(C)C 2359279238 VTSGKMCIBDVDLP-OAGGEKHMSA-N 460.384 2.013 30 10 JEEE COC(=O)c1ccc(/C=N/Nc2nnc(SCc3nc4ccc([N+](=O)[O-])cc4[nH]3)n2N)cc1 20913935 LYWGOKRYTWBDII-ZVBGSRNCSA-N 467.471 2.301 30 10 JEEE CC(=O)c1ccc(NC(=O)CCSc2n[nH]c(N/N=C/c3c(C)nn(CCO)c3C)n2)cc1 59888203 NCPLDXWRYWJXDM-WSDLNYQXSA-N 470.559 2.380 30 10 JEEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)CC1 512709633 CJMBYRXTNZMENI-SFHVURJKSA-N 453.370 2.044 30 10 JEEE C[C@H](NC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1-c1ccc(C(N)=O)cc1)c1ccccc1 522536533 CDAZYDVTPJCYFW-SFHVURJKSA-N 494.576 2.378 30 10 JEEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)c1ccc(CN2C(=O)CNC2=O)cc1 857440617 AISWIOZDXZSKHM-INIZCTEOSA-N 464.478 2.239 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1CNC(=O)CSCC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 1128433867 YZDWWSLJYGYEPF-HTAPYJJXSA-N 458.584 2.254 30 10 JEEE N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)CNS(=O)(=O)c2ccc(F)cc2)CC1 1156560451 FYUDPYNYMRHGRY-LJQANCHMSA-N 450.923 2.166 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccnc(OC2CCOCC2)c1 1286308368 IGTHWZANMTVVAG-LZNRXBQRSA-N 455.559 2.461 30 10 JEEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCO[C@H]1CCOC1 1286431776 RIVQNTHRTYWLOW-QFIPXVFZSA-N 463.586 2.111 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCCCN2C[C@@H](C)C[C@@H](C)C2)CC1 1286490139 MEDXTCWXPICBRH-OYRHEFFESA-N 480.661 2.403 30 10 JEEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(N2CCCCC2)CC1 1286535338 HREYMHDSBKEFRO-HNNXBMFYSA-N 475.457 2.252 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C(C)(C)C)no1 1286582077 QSEJZEMFVWPZJA-KRWDZBQOSA-N 466.608 2.347 30 10 JEEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(=O)c2ccc(C)s2)CC1 1286585662 LMGBQXLSKDIXBN-OAHLLOKOSA-N 466.633 2.233 30 10 JEEE C=C(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1286596062 QUQZRDWZYBFLKO-UHFFFAOYSA-N 473.578 2.366 30 10 JEEE C=C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCS(=O)(=O)CC2CC2)CC1 1286641277 VKIALZXKQZIVKT-UHFFFAOYSA-N 464.613 2.330 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC[C@H](O)C1 1286749760 YPQKEXDEPYPJMD-HBFSDRIKSA-N 495.671 2.416 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N(CCO)Cc1ccc(F)c(Br)c1 1286785356 JUUQZTMPCHTFBL-UHFFFAOYSA-N 477.338 2.476 30 10 JEEE C=CCOc1ccccc1Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)OCC)CC1 1286799196 QXLBJCNXWXGUCN-UHFFFAOYSA-N 468.558 2.292 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCN(c2ccccn2)CC1 1286821297 GRHUJOWDQHMFCY-UHFFFAOYSA-N 470.574 2.330 30 10 JEEE C=CCSCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCNC(=O)[C@@H]1CC 1286824980 DHYFQCNTRPXPLK-INIZCTEOSA-N 477.660 2.181 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(C(N)=O)CCOCC1 1286966708 BBAQPGQHBRRPRG-ZWKOTPCHSA-N 489.621 2.271 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@](C)(OC)C2CC2)c1 1300333229 YTOGAQFJKROMJV-DVECYGJZSA-N 450.543 2.101 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1([S@@](C)=O)CC1 1300554598 GBDLQNKZZZYZRW-WJOKGBTCSA-N 457.987 2.236 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H]2CCN(CC)C2)CC1 1300715730 CGLQLHMLURMWCA-LJQANCHMSA-N 480.613 2.270 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CCN2[C@@H](C)CC[C@@H]2C)CC1 1300733529 KVEDZFURGJSXLY-SFTDATJTSA-N 496.685 2.287 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCn1c(C)nc2ccccc21 1300779667 CXMUYFIRYZWPCG-OPAMFIHVSA-N 455.588 2.239 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1300873846 HTRVROLFDVHXNH-CTNGQTDRSA-N 470.599 2.316 30 10 JEEE C=C(C)COCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1300979883 HTSKROZFFJDZQP-UHFFFAOYSA-N 490.967 2.258 30 10 JEEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cc2ccccc2[nH]1 1300990209 IWORYIAYODYQLJ-NRFANRHFSA-N 488.614 2.321 30 10 JEEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2csc(CC)n2)CC1 1301223350 SILOUEMGXYGLJQ-QGZVFWFLSA-N 464.661 2.488 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN2C(=O)CC[C@H]2C1 1301568252 FOSKRYYAOQSNAH-PMACEKPBSA-N 487.626 2.447 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 1301585831 FNBSJQXUNUWWFQ-NVXWUHKLSA-N 453.609 2.181 30 10 JEEE CCC[C@](C)(O)Cn1c(Cc2ccncc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1306539823 ADUCOHIPARKJGS-UUOWRZLLSA-N 461.574 2.192 30 10 JEEE CCNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CCOC)[C@@H](C)C1 1313966298 AIUCAGUXOYDZJX-SFHVURJKSA-N 453.591 2.136 30 10 JEEE C#CCN(C(=O)c1cccc(NS(=O)(=O)c2ccc(OCC)cc2)c1)[C@H]1CCS(=O)(=O)C1 1318301585 IODDBHDKIPGCJR-IBGZPJMESA-N 476.576 2.149 30 10 JEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCNC(=O)[C@H](C)CCC 1358949684 KHWIZTGHYJHFCU-QZTJIDSGSA-N 462.595 2.208 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC(=O)N(C)CC)[C@@H]1CCS(=O)(=O)C1 1358957168 QMDXRZBKGLHZTM-SJLPKXTDSA-N 494.017 2.177 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@H](C)N(C)C1CC1)[C@H]1CCS(=O)(=O)C1 1358967078 CYHHLYOEQQANBO-HKUYNNGSSA-N 475.590 2.106 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2C[C@H](C)CN2CCN(CC)CC2)CC1 1359041001 LKAMKIWLFQWUHH-RTWAWAEBSA-N 457.667 2.031 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2CCNC(=O)c2ccccc2F)CC1 1359045177 YYWCBOWDRSWBIP-UHFFFAOYSA-N 466.561 2.471 30 10 JEEE C#CCSCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](C(N)=O)C1 1359056305 CIWHEABXCHJZDJ-SJORKVTESA-N 462.620 2.071 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCN(C(=O)OCC)CC1 1359091618 PMINWBTVXHNHTC-OTWHNJEPSA-N 451.568 2.262 30 10 JEEE CC(=O)NC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCCC[C@H]2C)CCO1 1359451886 BIKDXFOYWFXISS-HYBUGGRVSA-N 495.628 2.335 30 10 JEEE CN(C)S(=O)(=O)c1cc(NC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)ccc1F 1466511623 GJAZNOWTJGRVDP-GOSISDBHSA-N 459.503 2.265 30 10 JEEE CCN(CCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccccc2C#N)CC1)C1CC1 1502184681 HANZOXXPCWKWFJ-UHFFFAOYSA-N 450.591 2.099 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1C[C@H]1CC(=O)N(c2ccccc2)C1)[C@H]1CCS(=O)(=O)C1 1507621951 DBWFSOWZIWWCSC-ICSRJNTNSA-N 469.611 2.255 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1CCCOC[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1507630141 UIGFIAXSKGSECU-NHCUHLMSSA-N 472.611 2.466 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@]1(N2CCOCC2)CCSC1 1507705659 FXPIPBYBAOSGKI-QHCPKHFHSA-N 486.598 2.147 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](C)CNC(=O)OC(C)(C)C)CC1 1507724086 GJHNTYBCGIOZSE-IBGZPJMESA-N 453.591 2.180 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2Cc2cnn(C)c2C)CC1 1507731241 DJHSZYOAKXXSNT-FQEVSTJZSA-N 482.633 2.238 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCC2(O)CCC2)CC1 1507734110 RHRAAGDMTJEEOS-UHFFFAOYSA-N 478.597 2.418 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2cccc(C)c2)CC1 1507752016 TZDJUOLBVKVAEH-OAQYLSRUSA-N 473.668 2.177 30 10 JEEE C=CCN(c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1([S@](C)=O)CC1)C1CC1 1507989365 ZLTYQNIJEIIICP-PMERELPUSA-N 463.629 2.261 30 10 JEEE C=CCn1c(Cc2ccccc2F)nnc1N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 1508062401 HBLXFSCQKFMWDF-SFHVURJKSA-N 451.568 2.071 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1508085521 HYJDHVLYMLILFI-UHFFFAOYSA-N 479.972 2.182 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@H](CC)C1 1508135297 HKRWBORXPONELQ-MRXNPFEDSA-N 450.561 2.178 30 10 JEEE C=CCS(=O)(=O)CCNC(=O)c1cc(S(=O)(=O)N(C)c2ccccc2)ccc1Cl 1526695495 XWPDXELWSMMVBG-UHFFFAOYSA-N 456.973 2.496 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@]2(O)CCC[C@H]2C)c1 1539038532 RDJSAOQTCIUSHH-IQGLISFBSA-N 464.570 2.121 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1539039195 ZOQFHMXGAIGFTQ-XDNAFOTISA-N 459.513 2.113 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1ccc(OC)cc1OC)[C@@H]1CCS(=O)(=O)C1 1539211880 PWBWCEKHIKIRJE-GOSISDBHSA-N 467.551 2.032 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@](C)(OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1539229956 JQCUHGIWDBGNIM-XXBNENTESA-N 476.574 2.438 30 10 JEEE C#CCN(c1nnc(CCOc2ccccc2)n1Cc1c(CC)noc1C)[C@@H]1CCS(=O)(=O)C1 1539230508 NINHKGSUOTWGGA-LJQANCHMSA-N 483.594 2.433 30 10 JEEE C#CCN(c1nnc(CN2CCCC2=O)n1CCOc1ccccc1C(C)C)[C@H]1CCS(=O)(=O)C1 1539231756 XTXRWRPKQPSLFC-FQEVSTJZSA-N 499.637 2.230 30 10 JEEE C#CCN(c1nnc(COCC)n1CCOc1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 1539232039 YSHMEMFYIRWRLG-QGZVFWFLSA-N 452.964 2.174 30 10 JEEE C#CC[C@@]1(C(=O)N2CCC(N(CCOC)CCOC)CC2)CCCN1C(=O)OC(C)(C)C 1539529436 RUHLYHOUXXTOSD-DEOSSOPVSA-N 451.608 2.365 30 10 JEEE C=C(Br)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1539588301 VVRGUDFHUWFYRP-UHFFFAOYSA-N 470.331 2.246 30 10 JEEE C=C(Br)Cn1c(N2CC[C@@]3(CCC(=O)N3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1539608676 CGTAQCBGIKAWCX-RBUKOAKNSA-N 454.369 2.086 30 10 JEEE C=C(C)Cn1c(CSc2ccccc2OC)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1539733468 AIMSBEOPFHJDKO-UHFFFAOYSA-N 470.599 2.082 30 10 JEEE C=CCCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(CC(=O)NCC)CC1 1539963023 IYWKDQQGYOCGGX-UHFFFAOYSA-N 464.574 2.208 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(N2CCNC2=O)CC1 1540898992 AODZCUPNOXDAQS-UHFFFAOYSA-N 496.996 2.332 30 10 JEEE CC[C@H](C)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CCN1CCN(C(C)=O)CC1 1545533001 AOROLPCPHMMHHK-IBGZPJMESA-N 482.608 2.293 30 10 JEEE COCCN1C[C@H](Cn2c(N3CCN(Cc4ccc(C#N)cc4)CC3)nnc2C(C)(C)C)CC1=O 1555576767 HKCUOBBJGHYFHR-JOCHJYFZSA-N 479.629 2.264 30 10 JEEE CS(=O)(=O)CCOc1ccc(NC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)cc1 1563055049 CXQNMZACZGXWLQ-UHFFFAOYSA-N 459.528 2.201 30 10 JEEE N#Cc1sccc1N1CCN(C(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)CC1 1563780469 CSAWQLMYVCPNHS-UHFFFAOYSA-N 459.597 2.436 30 10 JEEE C#C[C@H](NC(=O)N[C@H]1CCS(=O)(=O)C2(CC(C(=O)OC)C2)C1)c1ccc(Cl)cc1F 1565001963 FQELDYRCJKHPDI-MJSRRPAMSA-N 456.923 2.352 30 10 JEEE COc1ccc(Br)cc1CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 1566318388 ASBLXMUDOLGEAH-GFCCVEGCSA-N 452.330 2.313 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCCN1CCOC1=O 1587620543 HHXNESOKMIOKKL-QGZVFWFLSA-N 463.542 2.365 30 10 JEEE C#CCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1587787041 GCDARUSOVFSQHC-FQEVSTJZSA-N 461.526 2.005 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H](CC(C)C)N(C)C)[C@H]1CCS(=O)(=O)C1 1588040789 QNZOYXZBGJUWQF-VXKWHMMOSA-N 468.627 2.420 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCCn2ccnc21 1588099540 QDBDVASJCVAEKE-HXUWFJFHSA-N 477.594 2.042 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CC1(C(N)=O)CCOCC1 1588109417 DMPZLSSIIFXQJO-UHFFFAOYSA-N 465.554 2.096 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cccc(C(=O)NC)c1 1588139209 NOSJACRPGKYREQ-NRFANRHFSA-N 492.580 2.067 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC2(COC)CCCCC2)CC1 1588890498 AIJQTMRUAIIDID-SANMLTNESA-N 487.645 2.493 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCOC2)n1CCN1CCN(C(C)=O)CC1 1595133800 MVSXQQJZLDIUCE-NRFANRHFSA-N 456.566 2.278 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C(N)=O)cc1 1595261307 PUWIEIPVTPBEPK-LJQANCHMSA-N 469.567 2.156 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCc2cc(Br)ccc2C1 1595529742 FVKXSMAKBIOPHP-UHFFFAOYSA-N 454.332 2.363 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCO[C@H](CC)C1 1595545247 STRMVSYGGHJRSG-ZWKOTPCHSA-N 462.595 2.310 30 10 JEEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCc2c(C)cccc2C1 1595577185 KXLPSWNQTYQAIN-UHFFFAOYSA-N 450.568 2.443 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3ccccc3n2)nnc1N1CCCN(C(C)=O)CC1 1595777248 KOVJAJRDVFOQQS-UHFFFAOYSA-N 468.583 2.153 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCC=C(Br)C1 1595822472 HMVRPDNOOQHALM-UHFFFAOYSA-N 469.409 2.229 30 10 JEEE CC(C)NS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1610313164 GMXURLNFZXMGRO-FPOVZHCZSA-N 488.614 2.062 30 10 JEEE C#C[C@H](NC(=O)[C@H](NS(=O)(=O)c1cccs1)[C@H](C)O)c1ccc(Br)cc1 1625078055 OWEPYAOXSALNQT-HZUKXOBISA-N 457.371 2.029 30 10 JEEE C#CCNC(=O)CN1CCCN(C(=O)c2cc(C(=O)c3cccc4ccccc34)cn2C)CC1 1627015574 WGDRJUQGELBYKQ-UHFFFAOYSA-N 456.546 2.307 30 10 JEEE C#CCCN1CCN(C(=O)[C@@H](CCSC)NS(=O)(=O)c2ccc3ccccc3c2)CC1 1627318507 HNNRDTIIOLPAKO-JOCHJYFZSA-N 459.637 2.407 30 10 JEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@@H]1C 1637388953 CGRBPWRJFVYJNP-JYJNAYRXSA-N 450.561 2.081 30 10 JEEE C#CCNC(=O)C1CCN(S(=O)(=O)c2cc(Cl)ccc2OC[C@H]2CCCCO2)CC1 1655103690 XVYXUKAQZKOAMF-GOSISDBHSA-N 454.976 2.438 30 10 JEEE C=CCOC[C@@H](NS(=O)(=O)c1cc(Br)cc(Br)c1)C(=O)OC 1655132567 XHEQPEJCEXOQQE-GFCCVEGCSA-N 457.140 2.234 30 10 JEEE C#CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CCOC)C(=O)C1 1689906920 VWLJURHQJCOXLT-IBGZPJMESA-N 474.606 2.449 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1C[C@@H](c1cccc(F)c1)N(C)C)[C@H]1CCS(=O)(=O)C1 1689993940 NZXBXXTYTMWJGY-SFTDATJTSA-N 459.591 2.299 30 10 JEEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1Cc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1689995993 BTHCBENIJFVNHR-QGZVFWFLSA-N 487.582 2.084 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1Cc1snnc1C 1690095090 DOPWASZNKZGYIQ-UHFFFAOYSA-N 450.366 2.340 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H](CC)N2CCCC2)CC1 1690137540 CDYXSSMATKBWMI-GJZUVCINSA-N 486.661 2.159 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2Cc2c(C)nn(C)c2C)CC1 1690139774 ZVZFDIPHNMRESK-UHFFFAOYSA-N 491.596 2.327 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2csc([C@@H](C)OC)n2)CC1 1690152722 WBHAGTBOETWKIO-GOSISDBHSA-N 496.641 2.318 30 10 JEEE C=CCCOCCn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1690500201 NYCVKOHOHPGYNV-UHFFFAOYSA-N 489.020 2.172 30 10 JEEE C=CCN(c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCN1CCOC[C@H]1C)C1CC1 1690539685 IZJZHNSOTSQOTM-GOSISDBHSA-N 474.631 2.071 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1690676121 QIZRSWOTGVHORD-CZUORRHYSA-N 457.428 2.454 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCN(C(=O)NC)CC1 1690717495 HWQRBIFBGQCPPQ-INIZCTEOSA-N 492.671 2.194 30 10 JEEE CCN1CCCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1695840479 BYIAENMDKRRJBC-YADHBBJMSA-N 451.575 2.032 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCc2nccn2C1 1705481943 PFVRZTNQIRIDQH-MSOLQXFVSA-N 467.599 2.112 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)cc1OCCOCC 1705494914 IBACHPVIQMSBDA-QUCCMNQESA-N 460.600 2.410 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CC[C@](C)(CC)O1)[C@@H]1CCS(=O)(=O)C1 1705558542 APBWRNJVZDUQGH-MSYCTHLASA-N 479.647 2.171 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2ncccn2)CC1 1705695061 VBCJODPBAJVYCU-QUCCMNQESA-N 468.606 2.294 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1705722413 KHMFQCHKSBKZLG-UHFFFAOYSA-N 469.615 2.371 30 10 JEEE C=C(C)COCCn1c(-c2ccccc2OC)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1705732934 KJAMMQFFHDDPSF-NRFANRHFSA-N 468.602 2.289 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2ccccc2OC)CC1 1705737573 VMRZPBOIRAPSKB-NRFANRHFSA-N 489.642 2.104 30 10 JEEE C=CC1CCN(c2nnc(COc3ccc(OC)cc3)n2CCN2CCCS2(=O)=O)CC1 1705784634 CTJZELXHPZRHKC-UHFFFAOYSA-N 461.588 2.304 30 10 JEEE C=CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@H]1CCS(=O)(=O)C1 1705841316 WYAKTLZNAPQAAN-INIZCTEOSA-N 456.572 2.293 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccc3F)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1705923740 MMFJOCQFLWRTDH-RTBURBONSA-N 463.579 2.213 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 1705936863 ZTXWPXAMEWFGHC-FPOVZHCZSA-N 493.674 2.248 30 10 JEEE C=CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1705942475 UEXUEEBSELHUPK-GOSISDBHSA-N 463.571 2.268 30 10 JEEE CCNC(=O)C1(Cn2c(COc3ccccc3CC)nnc2N2CCO[C@@H](C#N)C2)CCC1 1710321576 AVEMYWBKLAFOPI-IBGZPJMESA-N 452.559 2.455 30 10 JEEE CCO[C@@H](CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1)C(C)C 1710409266 GLEJTBMUZLLZCH-PMACEKPBSA-N 482.651 2.192 30 10 JEEE CN(CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCO[C@H](C#N)C1)CC(F)(F)F 1711211547 CHESQEWURYPDER-PBHICJAKSA-N 452.437 2.013 30 10 JEEE CNC(=O)C(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2ncccc2F)CC1 1711294381 IDIWNMCXLRADIP-UHFFFAOYSA-N 492.559 2.362 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC1(CS(C)(=O)=O)CC1 1722370206 IWEBMQWEYCRXFT-UHFFFAOYSA-N 453.568 2.045 30 10 JEEE C#CCN1CCN(c2nnc(CCN3CCN(c4ccccc4)CC3)n2C[C@H](C)SC)CC1 1722442315 YHOPJFZXAQCNSZ-QFIPXVFZSA-N 467.687 2.150 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1722495148 PZEHTRDJAJUYMK-NEWSRXKRSA-N 477.512 2.479 30 10 JEEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2ccc(F)c(F)c2)C1 1722528897 LUPRYUQDQYQGQJ-HNAYVOBHSA-N 485.557 2.337 30 10 JEEE C=C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2CCS(=O)(=O)CC2)CC1 1722561761 XXDCIHZAUVWHPY-UHFFFAOYSA-N 464.613 2.330 30 10 JEEE C=C(Cl)Cn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1722579581 IMSCJZKIENHTQO-UHFFFAOYSA-N 450.012 2.131 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2cccn2C)n1C[C@@]1(O)CCO[C@@H]1C 1730749792 CBSPAIOCBMPKIT-KOSHJBKYSA-N 450.543 2.348 30 10 JEEE C#CCN(c1nnc(-c2noc3c2COCC3)n1C[C@H](SC)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1740622797 IRDDUMZSWIYTET-QAPCUYQASA-N 493.655 2.410 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CC[C@H](C)N2CCCCC2)CC1 1740699889 XKKXRKCIDCXFMJ-FQEVSTJZSA-N 469.659 2.289 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2CC2(C(=O)NCC)CCC2)CC1 1740703250 KYUIWHCEJJFIHI-UHFFFAOYSA-N 478.597 2.226 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2CCNC(=O)Cc2cccc(F)c2)CC1 1740705949 OMXVPUWVOPKPOM-UHFFFAOYSA-N 480.588 2.400 30 10 JEEE C=CC[C@@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C)[C@@H](O)C1)c1ccccc1 1740855816 OVQFXIJPLJHIOQ-RYFAJOAYSA-N 489.642 2.178 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(CSC)cc1 1740899811 PDOWZHKCFZZQLF-SFHVURJKSA-N 451.618 2.145 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC(Cn3nc(C)cc3C)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1740964565 FDZOQXLJPMMHJP-RUZDIDTESA-N 485.633 2.351 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC(=O)NCC(F)F)C1 1740985807 MBKJCQHBEHKOIK-OWCLPIDISA-N 484.548 2.211 30 10 JEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(Cc2ccc(F)cc2)CC1 1748751158 CUUMZVXQOOWEEB-FQEVSTJZSA-N 459.591 2.445 30 10 JEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1COc2ccccc2O1 1748789437 JTVZEFPASCYBSV-QZTJIDSGSA-N 469.542 2.496 30 10 JEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CCc2ccccc21 1748790658 ZQAODIJMTMCFEH-CJFMBICVSA-N 467.570 2.490 30 10 JEEE C#CCN(C)c1nnc(CCc2ccc(OC)cc2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1748794969 RWXOHGWXAHAKAR-IFMALSPDSA-N 471.627 2.346 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@@H]1CCO[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1748820097 ZBRCEVYPCSREKH-QWFCFKBJSA-N 460.575 2.450 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(F)cc2Br)n1CC(=O)NCC(F)F 1748956896 NBEBOKAFZBWGSS-UHFFFAOYSA-N 474.281 2.314 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccc(OCC(F)(F)F)nc2)CC1 1748971344 MKTUIVRUUKOYLP-UHFFFAOYSA-N 493.534 2.336 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCN(c3ccccc3F)C2)CC1 1749001484 TUHWTGXXDIAJQQ-IBGZPJMESA-N 495.603 2.048 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2C[C@H](C)SC)CC1 1749009932 MZMAHTQMWZFEFB-SFHVURJKSA-N 482.658 2.169 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N(C)CC(=O)N1CCOCC1 1749125717 XGVILULMJMATTG-FDDCHVKYSA-N 485.585 2.239 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccc2C)nnc1N1CCN(CC(=O)NCC)CC1 1749134333 XLIMOEATSPMYSQ-DHLKQENFSA-N 466.630 2.417 30 10 JEEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 1749427707 SPDKXPVLZNCLKO-GOSISDBHSA-N 459.620 2.386 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2nc(CC)ns2)CC1 1749658864 WZBSADYHALSPGJ-UHFFFAOYSA-N 473.994 2.036 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(NC(=O)C(C)C)CC1 1749660415 OTRXHKVBQRPKOI-UHFFFAOYSA-N 470.574 2.006 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCSC2(CCOCC2)C1 1749731509 FYLLWSWTYGCJSW-QGZVFWFLSA-N 456.634 2.223 30 10 JEEE Cc1cc(C)n(CCCn2c(-c3ccc(C#N)cc3)nnc2N2CCC(NS(C)(=O)=O)CC2)n1 1751858286 BLLKSNIXPUHORL-UHFFFAOYSA-N 482.614 2.238 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(F)cc2Br)n1CC(=O)N1CCOCC1 1760105434 OXAFKQWJGJMLBJ-ZDUSSCGKSA-N 450.312 2.163 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCc1nc(C)no1 1760116579 ILQSKSPICVYVHP-RDJZCZTQSA-N 459.551 2.369 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(Oc2ccccc2)nc1 1760117376 OEVLQJSUMXVNDL-GHTZIAJQSA-N 496.593 2.305 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@](C)(O)c1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 1760183994 FXKMARILZWSCOV-GAJHUEQPSA-N 488.013 2.471 30 10 JEEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC[C@H]1C[C@H](F)C1)[C@@H]1CCS(=O)(=O)C1 1760184610 XCBSIQDYNVQGKJ-BHIYHBOVSA-N 494.614 2.114 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCCCNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1760188955 RRNBVOBQGBZLLD-OALUTQOASA-N 495.646 2.104 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCc1ccc(OC)c(F)c1)[C@H]1CCS(=O)(=O)C1 1760193143 VBXWEAAXWUSMRJ-FXAWDEMLSA-N 462.547 2.147 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3OCC)n2Cc2ccc(OC)nc2)CC1 1760264849 YABAZNGUHRUNHX-UHFFFAOYSA-N 462.554 2.463 30 10 JEEE C#CCSCCn1c(-c2cccc(Br)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1760273933 GFFPRRPXYDTDRW-INIZCTEOSA-N 464.389 2.025 30 10 JEEE C=C(C)COCCn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1760358055 MRZSOAQRVQSJGI-NRFANRHFSA-N 457.550 2.428 30 10 JEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ccc(F)c(Cl)c1 1760464613 LIEHSTMRDOZGCB-QGZVFWFLSA-N 473.958 2.105 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1760526686 ROLLLLBHLZSIOR-IBGZPJMESA-N 475.615 2.080 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CCO[C@H](C(C)C)C1 1760558281 LBQUUQAQGYWNFA-IBGZPJMESA-N 452.552 2.458 30 10 JEEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2C)CC1 1760560392 UQTLEBDSNYEUEQ-SFHVURJKSA-N 464.661 2.443 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCC(CC#N)CC2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1761215125 BLJUCBNLYSVYLK-GOSISDBHSA-N 466.590 2.215 30 10 JEEE CC[C@@H](C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1763927067 GEQFBWHVCIESHJ-NQIIRXRSSA-N 499.641 2.126 30 10 JEEE CN1CCCC(C)(C)[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C(N)=O)C1 1769064916 GPXSVFSTXATHNR-UYAOXDASSA-N 451.575 2.161 30 10 JEEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC2(C)C)CCN1S(C)(=O)=O 1770672643 ICLNGTOEHRZSIS-WMZOPIPTSA-N 458.588 2.245 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(CC)Cc1cnn(C)c1 1772567255 UVRYEBTYXNIAQQ-IBGZPJMESA-N 486.621 2.455 30 10 JEEE COc1cc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2CCCNC=O)cc(Cl)c1O 1862566201 QLDAVFPBTBYKQC-SFHVURJKSA-N 459.886 2.351 30 10 JEEE CC(C)(C)c1ccc(S(=O)(=O)CCC(=O)N[C@H](CO)C(=O)Nc2cccc(C#N)c2)cc1 1866812981 MFQVZGIQQHSOON-HXUWFJFHSA-N 457.552 2.135 30 10 JEEE CN(CCO)Cc1cc(=O)c(OCC(=O)Nc2sc3c(c2C#N)CCC3)cn1Cc1cccnc1 1870323888 LJPYBWKHTFXTJJ-UHFFFAOYSA-N 493.589 2.155 30 10 JEEE Cn1cc([C@@H](NC(=O)OC(C)(C)C)C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)nn1 2180970873 SKQSAMPZMMZWPA-QGZVFWFLSA-N 457.340 2.319 30 10 JEEE CO[C@H]1C[C@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)s2)N(C(=O)OC(C)(C)C)C1 2256621142 QVGAJWXBBWMGHG-QWHCGFSZSA-N 453.370 2.405 30 10 JEEE C[C@@H](c1cc(B2OC(C)(C)C(C)(C)O2)cs1)N(C)C(=O)[C@@H](O)CNC(=O)OC(C)(C)C 2256625155 SCQRTZQQRSYMQW-ZFWWWQNUSA-N 454.398 2.452 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H](Oc1ccc([N+](=O)[O-])c(B2OC(C)(C)C(C)(C)O2)c1)C(=O)O 2267822261 IXIILSRWBKYZSU-OAHLLOKOSA-N 452.269 2.251 30 10 JEEE CC(C)(C)OC(=O)NC[C@]1(C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)CCCO1 2268608728 UQDQJOXDCFPLNH-NRFANRHFSA-N 467.397 2.132 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@H](C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)O1 2268649976 HCLNPDLIFIIEDO-DZGCQCFKSA-N 467.397 2.131 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CCC1(F)F 2281925939 IUFLEWSYQJVGDJ-AWEZNQCLSA-N 470.326 2.474 30 10 JEEE Cc1sc(C(=O)N=c2[nH]nc(CCNC(=O)OC(C)(C)C)o2)cc1B1OC(C)(C)C(C)(C)O1 2281949159 GGYLSMSVEYIVDS-UHFFFAOYSA-N 478.380 2.480 30 10 JEEE Cn1cc(C(=O)N2CCC3(CC2)CN(C(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)n1 2281960084 UKIKPJXJIALBKY-UHFFFAOYSA-N 460.384 2.192 30 10 JEEE CCc1nn(C)c(C(=O)N[C@@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2281992911 TVOQIEOJXDYYHT-CVEARBPZSA-N 462.400 2.457 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C1CC1 2282050707 CSMLXRDAMHKMDN-DLBZAZTESA-N 460.384 2.237 30 10 JEEE C[C@H]1CN(Cc2ccccc2)C[C@@H]1CCNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282174039 CSINHJMJFOWQFR-HKUYNNGSSA-N 453.396 2.002 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@H](C)CNC(=O)OC(C)(C)C 2282488659 BOAOCDKLEBRGNE-OAHLLOKOSA-N 484.424 2.434 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@@]2(CNC(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)C1 2282517346 ANMXNDWAKSWMPJ-FPTDNZKUSA-N 479.408 2.198 30 10 JEEE Cc1c(C(=O)NCC[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282592893 JPUQENLSUNRBQV-WKILWMFISA-N 462.400 2.451 30 10 JEEE Cn1nc(C(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)C(C)(C)C2)cc1B1OC(C)(C)C(C)(C)O1 2282614667 TUASUYPCTULGMC-HNNXBMFYSA-N 462.400 2.485 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@]12CCN(S(=O)(=O)c1cncc(B3OC(C)(C)C(C)(C)O3)c1)C2 2282830089 PATDOPJBQKRCFU-JOCHJYFZSA-N 479.408 2.155 30 10 JEEE C[C@H]1C[C@@H](NC(=O)C(F)(F)F)CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2O)C1 2282974146 FPXYFDHMDONSSV-GXTWGEPZSA-N 456.270 2.221 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(O)cc1O 2282989209 ZXDNVTOXIVYUTQ-XJKSGUPXSA-N 462.352 2.430 30 10 JEEE COC(=O)[C@H](CC(=O)N[C@@H](C)c1nscc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2283916810 WFCOGLGAJVSWGR-JSGCOSHPSA-N 483.396 2.076 30 10 JEEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)C(=O)[C@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C 2283951623 XZYCITBAYCVANZ-RTBURBONSA-N 460.380 2.315 30 10 JEEE COc1cc(C=Nn2c(COc3ccccc3)nnc2SCC(N)=O)cc(OC)c1OC 2329901965 CSLQZBPRUZMLSH-UHFFFAOYSA-N 457.512 2.343 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2CC[C@H]1[C@@H]2NC(=O)OC(C)(C)C 2359267714 XXONFZSPFBUAQV-YQQAZPJKSA-N 460.384 2.155 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CCOC[C@@H]2OCc2ccccc2)n1C 2362439880 HZLHUXBWEJRYTR-MOPGFXCFSA-N 455.364 2.132 30 10 JEEE COc1cccc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H](CNC(=O)OC(C)(C)C)OC 2365423794 ISCAJYQTRRGPJG-HNNXBMFYSA-N 464.368 2.264 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(C)[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1F 2369669044 IAFRDUKISNVLPF-CVEARBPZSA-N 466.363 2.232 30 10 JEEE COc1ccc(/C=N/Nc2nc(SCC(=O)NCc3ccc4c(c3)OCO4)n[nH]2)cc1OC 58995603 BDHYSCCCYJSYSM-AUEPDCJTSA-N 470.511 2.405 30 10 JEEE CN(C)c1ccc(N2C(=NC(=O)c3ccc4c(c3)OCO4)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 254383280 BIEDCAJMZLHPNA-QFBILLFUSA-N 459.549 2.397 30 10 JEEE CC(C)[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)S(=O)(=O)C1CCCCC1 482026376 QVRXXVCTEBWIMO-NRFANRHFSA-N 481.640 2.163 30 10 JEEE CCOC(=O)C1CCN(C(=O)C(/C=C2\C(=O)ONN2c2ccccc2)=NC(=O)c2ccccc2)CC1 585673920 ZFCZEWFNCSKDTP-ZGNOGXSNSA-N 490.516 2.436 30 10 JEEE O=C(N[C@H]1CCNC[C@H]1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 585840320 VSUISZQAVPAPCJ-WAPNLOFKSA-N 469.410 2.402 30 10 JEEE C=CCSC1=NC(=O)C2=c3cc(Br)ccc3=N[C@H](c3ccc4c(c3)OCO4)N2N1 588226652 HSARIKZZDKZNOB-SFHVURJKSA-N 471.336 2.240 30 10 JEEE CCOCCn1c(=C(C#N)C(=O)c2ccccc2F)sc(=Cc2cnn3ccccc23)c1=O 729668726 CJUQGADLLJMXNZ-UHFFFAOYSA-N 462.506 2.119 30 10 JEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@@]1(CC(=O)OC)CCCOC1 1128253800 CGQLMZWUEBMLIE-LJQANCHMSA-N 455.305 2.327 30 10 JEEE COc1ccc(S(=O)(=O)N2CCC(NC(=O)NCc3ccc(C#N)cc3)CC2)cc1OC 1222101448 GXEORFOPONVZGA-UHFFFAOYSA-N 458.540 2.228 30 10 JEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 1286323963 MZDXVXNNKQJUOP-TUNNFDKTSA-N 487.674 2.237 30 10 JEEE C#CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1286324454 PWVIICUMKURWQQ-ZWKOTPCHSA-N 481.619 2.013 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCO[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1286385158 VEILMCNCNHDJMG-HLIPFELVSA-N 473.555 2.295 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2CC2(NC(=O)OC(C)(C)C)COC2)CC1 1286476215 ROKYYQBILYAEPR-UHFFFAOYSA-N 482.585 2.003 30 10 JEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N(C)CC(=O)Nc1c(C)cccc1C 1286509083 UWIOBEMZGWOLRC-UHFFFAOYSA-N 454.600 2.459 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1286548944 VJUGJMIOVSEMSK-PSBKLILYSA-N 474.650 2.335 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccsc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1286567478 VNXSMOPQMJOPEM-UGKGYDQZSA-N 458.632 2.122 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc(Cc2cccnc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1286745734 GXPODTIAWDYNKO-QHCPKHFHSA-N 453.568 2.006 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H](N2CCCC2)C1 1286778755 AIZZJVKTWCXQHL-MRXNPFEDSA-N 462.396 2.403 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@H]2CCCN2C[C@H]1C 1286779116 FDDVETONDJBENL-GDBMZVCRSA-N 462.396 2.021 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCn2cc(Br)cn2)C1 1286797804 BNNRMTUDZSPCKG-MRXNPFEDSA-N 487.362 2.366 30 10 JEEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H](c2ccc(C)cc2)N(C)C)CCOC1 1296663022 GUGPPQMNMONGDF-YZUZCNPQSA-N 454.575 2.270 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1C[C@@H](c1ccccc1)N1CCOCC1 1300553821 UIBYFVWSJJPOPY-QHCPKHFHSA-N 460.582 2.051 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](c1ccco1)N1CCCCC1 1300557220 QXELHEJGMLWHKI-WOJBJXKFSA-N 472.615 2.171 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1nc(C(F)(F)F)cs1 1300578224 JNPXKBFXPZMJQI-CQSZACIVSA-N 471.530 2.361 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2cccnc2OC)CC1 1300716526 NJNQKIZLUDEIPD-UHFFFAOYSA-N 498.385 2.453 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2CCC2(O)CCC2)CC1 1300725499 ARBFCWUWLLVKOC-UHFFFAOYSA-N 451.571 2.148 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2Cc2ccnc(SC)c2)CC1 1300726530 NRIBSRHERRAUTA-UHFFFAOYSA-N 461.595 2.395 30 10 JEEE C=CCOc1ccc(Cn2c(Cn3nc(C)cc3C)nnc2N2CC[C@@H](S(C)(=O)=O)C2)cc1 1301529869 NQLISWQNOKDVPM-OAQYLSRUSA-N 470.599 2.376 30 10 JEEE CC(=O)NCC1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2([S@@](C)=O)CCC2)CC1 1301879712 HPSPVGSMWJQVGP-JGCGQSQUSA-N 454.600 2.470 30 10 JEEE C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N1CCOCC1 1310075456 NJQIJAUYQWZXAO-NQIIRXRSSA-N 466.604 2.409 30 10 JEEE CS(=O)(=O)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCS2)CC1 1316352476 GIGPWDOKTDZHBH-LJQANCHMSA-N 476.628 2.096 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2Cc2ncccc2N(C)C)c1 1358902284 JRKBZMCCARWBCB-IBGZPJMESA-N 459.554 2.348 30 10 JEEE C#CCCCCn1c(Cc2ccsc2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1358915036 PWKWTPSVKAUCCG-UHFFFAOYSA-N 487.655 2.287 30 10 JEEE C#CCN(c1nnc(-c2sc(N3CCOCC3)nc2C)n1C/C=C/CC)[C@@H]1CCS(=O)(=O)C1 1358957230 RIYKBICGFMZLJD-IPLHWJFFSA-N 490.655 2.140 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1CCC=CO1)[C@@H]1CCS(=O)(=O)C1 1358957794 ALINTWQFEFNXFZ-MOPGFXCFSA-N 472.567 2.282 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ccc(OC(F)F)cc1)[C@H]1CCS(=O)(=O)C1 1358960566 HHOYLVMHYULCOG-INIZCTEOSA-N 474.493 2.012 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H]1CCCCN1CCC)[C@@H]1CCS(=O)(=O)C1 1358960626 IPMHMVYPQYWUED-LEWJYISDSA-N 456.616 2.231 30 10 JEEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCCn1cc(Br)cn1 1358970851 ZBQGHKRZJOJSPG-NRFANRHFSA-N 475.391 2.441 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](C)N(C)C1CC1 1359025527 RJKOATWLLNEQPV-ICSRJNTNSA-N 476.622 2.155 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1359092887 HILKIMSFZUOIHY-GIVPXCGWSA-N 475.615 2.453 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@@H](c2cccc(F)c2)C1 1359291103 DUXQFYJAUPMKJY-LJQANCHMSA-N 458.538 2.216 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1359292546 RUZRSGXKYZENPS-OYHNWAKOSA-N 474.949 2.405 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(CC(=O)Nc2c(C)cccc2C)CC1 1359297461 RDCRJDMGKZRXLH-UHFFFAOYSA-N 488.596 2.020 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N(C)C[C@@H]1CN(CC)c2ccccc2O1 1359299883 OZXOTFBACOKQAA-RTBURBONSA-N 454.575 2.198 30 10 JEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CC[C@](O)(c2ccc(C)cc2)C1 1359302541 KVIZHVHGMSSUOP-HSZRJFAPSA-N 452.584 2.342 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@](C)(c2ccccc2)C1 1359306254 ACWCUGDILTXXOE-NSXLHWASSA-N 455.559 2.056 30 10 JEEE C=CCOc1ccc(Cn2c(Cc3cccnc3)nnc2N2CCCN(S(C)(=O)=O)CC2)cc1 1359308755 XWCBSBRBXDVWKC-UHFFFAOYSA-N 482.610 2.349 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1359333481 ZCPLRWUXGWVONP-KZNAEPCWSA-N 483.635 2.122 30 10 JEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC(NC(=O)Nc2ccccc2)CC1 1464441038 BBYJDAWCXWWFRG-INIZCTEOSA-N 455.540 2.038 30 10 JEEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2cc(C)cc(CNC(=O)C(F)(F)F)c2)cc1 1468009940 PSERPFVYTCRWOF-UHFFFAOYSA-N 453.442 2.337 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1507520349 YUGHEPINJCOUDQ-PDOGEWKWSA-N 457.550 2.260 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2CCNC(=O)c2ccco2)c1 1507549516 GVASCPFZPKKMFM-UHFFFAOYSA-N 471.521 2.363 30 10 JEEE C#CCCCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1507565441 BZPWYACNEBECTM-UHFFFAOYSA-N 454.550 2.386 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1OCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1507630064 YZTKOWUYFMMLJC-IRXDYDNUSA-N 463.991 2.435 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1Cc1ccc(O)cc1)[C@@H]1CCS(=O)(=O)C1 1507635310 RTDYOSFXXLNMRW-GOSISDBHSA-N 457.581 2.014 30 10 JEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)c2ccc(O)cc2)CC1 1507748022 ZDTPYFWGAUSLOV-MRXNPFEDSA-N 491.639 2.060 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H](C)N1CCN(CC)CC1 1507764538 QUVROYYTKNQLTR-NBGIEHNGSA-N 484.670 2.367 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCO[C@H](C(=O)NC)C1 1507802701 CPQDHPFNJXLYEK-JWWGGVBKSA-N 473.549 2.490 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](Cc2ccccc2)C1 1507804820 KUBQPOMNNXBJMR-YJMBLLCNSA-N 489.642 2.317 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1507805233 MEYWYRRKAZCISX-NMLBUPMWSA-N 470.636 2.387 30 10 JEEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1507910262 LLKXFQFNPHXARP-MOPGFXCFSA-N 460.623 2.484 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCO[C@H](c2ccc(OC(F)F)cc2)C1 1508079865 FUKKDMHHBREQCG-SFHVURJKSA-N 471.468 2.217 30 10 JEEE CCN(CC)C(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nnc(C)s2)CC1 1515488618 BFFHKOUCTGWBTK-UHFFFAOYSA-N 479.614 2.015 30 10 JEEE COc1cc(OC)cc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CC2CCS(=O)(=O)CC2)c1 1518045163 GPSCOWOHDZEKPZ-NRFANRHFSA-N 463.535 2.229 30 10 JEEE COCCN1C[C@H](Cn2c(Cc3cccnc3)nnc2N(C)Cc2cccc(C#N)c2)CC1=O 1519219535 GDYNWOYFGZOJCX-JOCHJYFZSA-N 459.554 2.267 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1c(C)nn(-c2ccccc2)c1C 1539014555 MENNMMLECCFJSE-VQIMIIECSA-N 452.584 2.489 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccc(Cl)cc1OC)[C@@H]1CCS(=O)(=O)C1 1539232077 ZFPQQKUILNZJOQ-QZTJIDSGSA-N 464.975 2.467 30 10 JEEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2cccc(F)c2)CC1 1539983025 UTZNRVIELCMWKB-QGZVFWFLSA-N 450.584 2.316 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc(-c2ccccn2)n1C[C@]1(O)CCS(=O)(=O)C1 1540180240 KVOMEUFCXCOANX-HSZRJFAPSA-N 453.568 2.125 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1540874876 UWGPTBWKHBNFEY-FXAWDEMLSA-N 466.586 2.172 30 10 JEEE N#Cc1ccc(N2CCC3(CC2)CN(C(=O)c2ncccn2)C[C@H]3C(N)=O)cc1C(F)(F)F 1548375575 RBHMXTIIEIDBOD-KRWDZBQOSA-N 458.444 2.211 30 10 JEEE N#Cc1ccc(N2C[C@@H](C(N)=O)[C@H](C3CCN(C(=O)c4cc[nH]n4)CC3)C2)cc1C(F)(F)F 1548397142 XXTZUYOXNYKQAB-DLBZAZTESA-N 460.460 2.390 30 10 JEEE N#Cc1ccc(N2C[C@@H](C(=O)Nc3ccc([C@H]4CC(=O)NC(=O)N4)cc3)CC2=O)cc1Cl 1585502535 DPEACICPNRSJTE-KBXCAEBGSA-N 451.870 2.474 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H](N1CCOCC1)C(F)(F)F 1587632605 MXLQLQXIPDBQJP-HKUYNNGSSA-N 492.550 2.173 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3CC)n2CC2(N(C)C)CCOCC2)CC1 1588871842 SMBVICGCLZXTGE-UHFFFAOYSA-N 466.630 2.286 30 10 JEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 1588968337 IPAZSHXCRKJLTP-UHFFFAOYSA-N 472.590 2.355 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](C(=O)NCCC)C1 1588976340 UXDWMXZSJMNONK-KRWDZBQOSA-N 455.588 2.034 30 10 JEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cc3c(cc2OC(F)F)OCO3)CC1 1594014520 SJBQTGPZISOMDK-ZDUSSCGKSA-N 485.513 2.423 30 10 JEEE C=CCC(C)(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCO[C@H](CNC(C)=O)C1 1594484004 LRTMCKAROVDQQX-GOSISDBHSA-N 489.646 2.182 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC(C(=O)NCc2ccc(C)cc2)CC1 1595522305 BPQZKYBCSIIQMT-UHFFFAOYSA-N 473.581 2.484 30 10 JEEE CCS[C@@H]1CC[C@H](N(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1617473254 IBVAXJXZZHUEAZ-JQVVWYNYSA-N 475.640 2.477 30 10 JEEE CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@@H](SCC(=O)OCC)C(F)(F)F)c1 1644179561 JDSCSFAASYCTPK-OAHLLOKOSA-N 451.488 2.441 30 10 JEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C(=O)OC)c2cccc(C(F)(F)F)c2)c1 1644884523 KQONMSPVOMBYEH-QGZVFWFLSA-N 454.426 2.261 30 10 JEEE C#CCN(c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@](C)(O)CCC)[C@H]1CCS(=O)(=O)C1 1689988755 VVMPVBHRLXOQCM-XUZZJYLKSA-N 482.610 2.309 30 10 JEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H]1NC(=O)CC1(C)C)[C@H]1CCS(=O)(=O)C1 1689992944 RJVRIYJNWKOQPJ-OALUTQOASA-N 490.029 2.064 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2csc(CC)n2)CC1 1690114746 FZROGWLQELWPKX-UHFFFAOYSA-N 470.624 2.171 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCN2C[C@@H](C)C[C@@H](C)C2)CC1 1690152358 IQRGFHFQAYEUKH-OYRHEFFESA-N 494.688 2.474 30 10 JEEE C#CCSCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1690181263 RXMMDWIEEJBWNK-QFIPXVFZSA-N 495.697 2.066 30 10 JEEE C=C(Br)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN2C(=O)NC[C@@H]2C1 1690230103 RJAYIRHLLAASSG-GFCCVEGCSA-N 453.291 2.270 30 10 JEEE C=C(C)CN(CC)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1690269832 JAHHOVVFNGJWNC-OALUTQOASA-N 464.636 2.007 30 10 JEEE C=CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(C(=O)OC)CC1 1690460515 JPXNYEWWAVCEGM-UHFFFAOYSA-N 451.531 2.437 30 10 JEEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)Cc2ccccc2C)CC1 1690507162 FRNVZXQRYBKLNJ-NRFANRHFSA-N 466.586 2.022 30 10 JEEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1690674118 PGGVGBDROGMAGZ-XHNVNVPESA-N 469.586 2.147 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC(C(=O)NC)CC1 1690675753 DMYPUTOAMBKEAP-UHFFFAOYSA-N 468.602 2.419 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1690721095 XIMWCGXJADRSEB-IBGZPJMESA-N 465.583 2.220 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCn2c(nnc2-c2ccccc2)C1 1690725466 QZAPCMMXIDDTPR-UHFFFAOYSA-N 455.588 2.356 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCS(C)(=O)=O)C[C@@H]2C1 1691236294 FJVSZGODDKQVNA-KDURUIRLSA-N 486.598 2.164 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCc1ccccn1 1694351239 GGZVAHOOCARJFK-SFHVURJKSA-N 488.600 2.211 30 10 JEEE CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](N2CCCC2)C1 1695503556 BMYPKBBPTBEHLC-FQEVSTJZSA-N 451.575 2.272 30 10 JEEE CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)cc1OC 1696133757 GFABJGWQQFQUHQ-IIBYNOLFSA-N 463.535 2.078 30 10 JEEE CN(C)CCOc1ccc(CCn2c(Cc3cccnc3)nnc2N2CCO[C@H](C#N)C2)cc1 1696616743 CHGTZSBVSIKBHD-HSZRJFAPSA-N 461.570 2.176 30 10 JEEE C#CCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1705509989 QXNOTUZLIFMQPJ-HSZRJFAPSA-N 465.514 2.471 30 10 JEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H](c1cccs1)N1CCOCC1 1705532122 GQHNZEPFRNORMO-RBUKOAKNSA-N 477.656 2.165 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1CCc1cccc(OCC)c1)[C@@H]1CCS(=O)(=O)C1 1705565343 HTEAKNKXOGXVPW-VQTJNVASSA-N 458.584 2.050 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(C(=O)N2CCCCC2)cc1 1705596330 AZUHLVZAJZOBCE-QFIPXVFZSA-N 458.566 2.367 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCc2cc3ccccc3o2)CC1 1705644593 WJEDAUUZVIHLQF-UHFFFAOYSA-N 462.554 2.371 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccoc1 1705857657 ZCLHVUSNSDLRNV-OAQYLSRUSA-N 487.582 2.454 30 10 JEEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@]1(O)CCS(=O)(=O)C1 1705882069 KDHGFJAUPZBLQH-IBGZPJMESA-N 475.398 2.440 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@H](F)COC)C1 1705924688 FSVLGRFSOFIJRP-KURKYZTESA-N 469.558 2.352 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN2C(=O)NC[C@H]2C1 1705933550 KZIXEVAJZYFULN-AWEZNQCLSA-N 485.397 2.067 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCC(NC(C)=O)CC2)nnc1C1(c2ccccc2)CCC1 1705938608 DTNJTIQAKFRIHO-UHFFFAOYSA-N 471.627 2.454 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 1705938609 DTQDCAVAWKWSIX-IAGOWNOFSA-N 469.608 2.224 30 10 JEEE C=CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1705941560 NUVALAGTDSXZRD-INIZCTEOSA-N 465.601 2.111 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1C[C@@H]1CCCOC1 1706619327 CIWOBOCLXVOTFL-SFHVURJKSA-N 455.538 2.180 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H]1CCOC[C@@H]1OC 1722293432 MUCNZISPMPCLFO-ZWOKBUDYSA-N 450.543 2.184 30 10 JEEE C#CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(C(=O)NCC#C)CC1 1722319978 QXZQDBMMPZZCGZ-UHFFFAOYSA-N 474.613 2.221 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CCCOC(F)F)[C@H]1CCS(=O)(=O)C1 1722366496 QUHSEPHYYDDCPR-AWEZNQCLSA-N 474.480 2.403 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccc(N2CCCC2)nc1 1722419510 ALHBRQWGEGQPCI-UHFFFAOYSA-N 494.621 2.478 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccn3C)n2CC2CCN(C(=O)OC)CC2)n1 1722427442 JGFPAHGETHOJPD-UHFFFAOYSA-N 494.600 2.245 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2CCCn2cc(Br)cn2)CC1 1722448539 VTGHMOZJSOGCHV-UHFFFAOYSA-N 460.380 2.171 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCOCCOC 1722472560 HEKJLYZVDXFHIM-FDDCHVKYSA-N 463.579 2.242 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cc(F)cc(F)c2)CC1 1722538024 SVQYCAWPOCCTDQ-KRWDZBQOSA-N 481.569 2.378 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCN2CCCS2(=O)=O)C1 1722719361 ZPENKLXDOXWUEN-KRWDZBQOSA-N 482.006 2.424 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1722726917 JYIRNFJIMXPPJX-UHFFFAOYSA-N 459.620 2.270 30 10 JEEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCOc2ncccc2Cl)C1 1724009767 FTPWXMKIMCCKEN-MGPUTAFESA-N 464.979 2.438 30 10 JEEE COc1cccc(Cl)c1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1 1730247312 AMALIEFPKIQOAO-CYBMUJFWSA-N 452.968 2.339 30 10 JEEE COCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1730767568 HFRTYDZLPYDGNH-PMACEKPBSA-N 465.602 2.090 30 10 JEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC[C@]1(O)C[C@H]2CC[C@H]1C2 1740602760 UGEJIBLXJMBIEN-LTMIRXACSA-N 457.600 2.206 30 10 JEEE C#CCN(c1nnc(-c2ccc(Br)cc2)n1CCc1cn[nH]c1)[C@H]1CCS(=O)(=O)C1 1740618227 FHAKAQDWDMBPID-SFHVURJKSA-N 489.399 2.300 30 10 JEEE C#CCN(c1nnc(-c2ccc(Br)s2)n1CC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1740618391 GUHGRGMDENSXTO-LBPRGKRZSA-N 473.418 2.167 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1CC[C@@H](C(F)F)N1CCOCC1 1740638114 IPJZRKZNZDAMCV-IBGZPJMESA-N 481.507 2.023 30 10 JEEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1Cc1nncn1CC 1740639562 VWLDZMPMZWFIPU-UHFFFAOYSA-N 452.563 2.125 30 10 JEEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1nnc(CC)s1 1740643278 JUEMBBRZVFKEIS-UHFFFAOYSA-N 474.638 2.178 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H](c2ccc(F)cc2)N(C)C)CC1 1740698747 NCJHDUFCIVBZOE-OAQYLSRUSA-N 495.628 2.467 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CC[C@H](C)N(Cc2ccccc2)CC1 1740990107 IUEJSDKITRSLMP-FQEVSTJZSA-N 483.642 2.380 30 10 JEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1741003573 XPIXYGHFRZMMKD-JKSUJKDBSA-N 469.658 2.442 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3csc(C)n3)n2CCNC(=O)C2CC2)c1 1748694360 GFGHYBQONWHOJE-UHFFFAOYSA-N 477.594 2.216 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3csc(C)n3)n2C[C@@H](C)N2CCOCC2)c1 1748694751 NCMUNQSSTWGLPE-GOSISDBHSA-N 493.637 2.411 30 10 JEEE C#CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1748747616 KQIQUBQXEAHNOY-QGZVFWFLSA-N 483.598 2.115 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1cccc(N2CCCC2=O)c1)[C@@H]1CCS(=O)(=O)C1 1748801735 FNIPBVURJZMAKR-HXUWFJFHSA-N 469.611 2.377 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1ccc(OC)c(OCC)c1)[C@H]1CCS(=O)(=O)C1 1748819596 PKELXYXQPQCJAO-NRFANRHFSA-N 495.605 2.346 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCO3)n2C[C@H]2CC(F)(F)CO2)n1 1748971727 ZZBOVIFHRRQIEF-QZTJIDSGSA-N 450.490 2.037 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@]2(O)CCC[C@H]2C)CC1 1749019277 RFTGXJZHRHVFJD-NIYFSFCBSA-N 481.597 2.383 30 10 JEEE C#CCSCCn1c(Cc2ccccn2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1749039813 BZFXKTISAQIJFA-OFNKIYASSA-N 481.670 2.009 30 10 JEEE C=C(C)COCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1749216855 UYCHUIWTAWLXRS-FPOVZHCZSA-N 488.658 2.461 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2ccc(F)cc2)C1 1749268503 BUMRKRAVAZMZQK-ROUUACIJSA-N 485.969 2.081 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCC(=O)N2)n1CCN/C(O)=C1/N=CC=CC1=O 1749554801 ZRQQGGNMLXKECT-XOMICKMZSA-N 467.555 2.010 30 10 JEEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCS[C@@H](C(C)C)C1 1749666582 MYHBACNQXTWOCI-QGZVFWFLSA-N 477.660 2.118 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCN2C(=O)OC[C@@H]2C1 1749680204 GWPKZLGTWRFLAA-AWEZNQCLSA-N 481.340 2.107 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N(CC)Cc1cnn(C)c1 1749724045 GSJFVSNVOVGBJI-UHFFFAOYSA-N 482.408 2.397 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC(CN2CCCCCC2)CC1 1749734272 HTNGWBNXHOXJDE-NRFANRHFSA-N 465.664 2.475 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCN(C3CCC3)C[C@H](C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1749739655 ISMDGMDYZCCANK-GBXCKJPGSA-N 495.690 2.230 30 10 JEEE CS(=O)(=O)N1CC[C@H](Cn2c(COc3ccccc3F)nnc2N2CCC(C#N)CC2)C1 1750208290 BMQUMSQYNZNMPK-KRWDZBQOSA-N 462.551 2.018 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1760099553 IITLTWOXFGNETE-JXQFQVJHSA-N 468.606 2.277 30 10 JEEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@]1(O)CCSC1 1760205802 KDICYDYEQBBHNR-HSZRJFAPSA-N 459.616 2.333 30 10 JEEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@]1(O)CCSC1 1760205803 KDICYDYEQBBHNR-QHCPKHFHSA-N 459.616 2.333 30 10 JEEE C#CCN1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2C[C@](C)(O)[C@H](C)CC)CC1 1760254553 AWWAGUGZPRAXBD-KOSHJBKYSA-N 487.674 2.099 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCc2csc(CC)n2)CC1 1760255094 BTULUCRUFUMDLD-UHFFFAOYSA-N 484.651 2.365 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCCSCC)CC1 1760261375 KWRBRNZKHVRTOD-IBGZPJMESA-N 478.663 2.485 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](c1ccc(F)cc1)N(C)C 1760290008 URTNXTMXMFAJKG-DKZVUGQWSA-N 462.595 2.322 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@]1(O)CCN(C)C1 1760330138 TZEGELLZTHYPKM-QFIPXVFZSA-N 461.636 2.016 30 10 JEEE C=C1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCCn2ccnn2)CC1 1760389627 PMUKJKWAEJUUAP-SFHVURJKSA-N 458.567 2.425 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cc(F)ccc2OC)CC1 1760402839 WDUPRTVTGVWKBC-FQEVSTJZSA-N 479.578 2.209 30 10 JEEE C=CCCOCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC[C@H](C(=O)NC)C1 1760449484 LEQRUEDPZUQPQP-SFHVURJKSA-N 479.585 2.230 30 10 JEEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1760527221 PHBABTGTFHVDAL-OAQYLSRUSA-N 466.630 2.445 30 10 JEEE C=CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](C#N)C1 1760566318 QVISQKVYTFIKIL-IRXDYDNUSA-N 464.592 2.234 30 10 JEEE C[C@@H](CC(N)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@](C)(O)c1ccsc1 1761370618 FSDXDBPSLMTIEJ-NYHFZMIOSA-N 454.556 2.398 30 10 JEEE CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1768247777 HXQFUQDFOGXUPD-UHFFFAOYSA-N 469.546 2.112 30 10 JEEE COc1cc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2CCN(C)C)cc(OC)c1O 1862744367 XJRFTQMENWPQFD-LJQANCHMSA-N 471.466 2.458 30 10 JEEE CC(C)(C)OC(=O)N(CCC(=O)N[C@H](CO)C(=O)Nc1ccccc1C#N)Cc1ccccn1 1867080310 IRYGBXSLZIPBDE-HXUWFJFHSA-N 467.526 2.196 30 10 JEEE CCCCCCCCn1cc(OCC(=O)N(CC)CC)c(=O)cc1CN(CCO)CCO 1870630267 LXQYCYZUHWPUNS-UHFFFAOYSA-N 453.624 2.243 30 10 JEEE CCCCCCCCn1cc(OCC(N)=O)c(=O)cc1CNc1ccc(S(N)(=O)=O)cc1 1871117506 MKOZZGHWBYKAIX-UHFFFAOYSA-N 464.588 2.332 30 10 JEEE CCOC(=O)C[C@@H]1COCCN1C(=O)[C@H]1SCC(=O)N(C(C)C)[C@H]1c1ccc(C#N)cc1 1890414878 YVGBMNCGGAXJSW-COPCDDAFSA-N 459.568 2.132 30 10 JEEE O=C(NCC#CCN1CCCCC1)[C@H]1CCCN1S(=O)(=O)c1cccc(C(F)(F)F)c1 1890691471 CSNXFUWCDPPWSZ-LJQANCHMSA-N 457.518 2.464 30 10 JEEE CN(C(=O)OC(C)(C)C)[C@H]1COC[C@H]1C(=O)NCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2180965119 BOUNETJTHWUPMJ-MOPGFXCFSA-N 460.380 2.484 30 10 JEEE CN(C)CCN(Cc1ccccc1)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2255931244 IFIMIDKRQKIWRY-UHFFFAOYSA-N 465.450 2.336 30 10 JEEE CCO[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1NC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2266989788 JHAFHXHRFBUYTQ-FMKPAKJESA-N 467.397 2.243 30 10 JEEE CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)oc1C 2267005969 PTZQGWRSZDVMGH-CVEARBPZSA-N 450.341 2.251 30 10 JEEE Cc1c(C(=O)N2C[C@H]3C[C@H]2[C@H]3NC(=O)OCc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267529718 OWTBAVZZCKQFRB-HBFSDRIKSA-N 480.374 2.167 30 10 JEEE C=C(CN(C)C(=O)[C@@H]1CO[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O1)B1OC(C)(C)C(C)(C)O1 2268764323 AWYAMFGDJZRMSV-ULQDDVLXSA-N 452.357 2.036 30 10 JEEE CO[C@@H]1[C@H](OC)CN(C(=O)OC(C)(C)C)[C@@H]1CNc1ncccc1B1OC(C)(C)C(C)(C)O1 2279459526 HEGYANQACVEGPV-KURKYZTESA-N 463.384 2.442 30 10 JEEE Cc1c(C(=O)N[C@H]2CSCCN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281976542 CUKWQUSRKAFYGM-OAHLLOKOSA-N 480.440 2.110 30 10 JEEE Cn1nc(C(=O)N2CC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)cc1B1OC(C)(C)C(C)(C)O1 2281979570 DWVKMQOJOVYMLN-QHCPKHFHSA-N 460.384 2.192 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCC1CCN(C(=O)OC(C)(C)C)CC1 2282045034 XXMOMGKMMRXNNE-UHFFFAOYSA-N 462.400 2.486 30 10 JEEE CC(C)(C)OC(=O)N(CCO)[C@@H]1CCCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2282204144 HLPMNVREMIGYAB-QGZVFWFLSA-N 463.384 2.148 30 10 JEEE CC(C)(C)OC(=O)NC1(CNC(=O)c2c(F)cc(B3OC(C)(C)C(C)(C)O3)cc2F)COC1 2282571692 DOXULNLIALYRTA-UHFFFAOYSA-N 468.306 2.288 30 10 JEEE Cc1nn(C)c(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C)c1B1OC(C)(C)C(C)(C)O1 2282586234 WIHNTPNOOLPEFX-GDBMZVCRSA-N 462.400 2.403 30 10 JEEE CC1(C)OB(c2nccnc2C(=O)NCc2ccc(NC(=O)C(F)(F)F)cc2)OC1(C)C 2283068997 PNRMHUXIMVVYJT-UHFFFAOYSA-N 450.226 2.207 30 10 JEEE CN(CCNC(=O)OC(C)(C)C)CC(=O)N(C)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2284041774 SJVWYBLYLCVCMF-UHFFFAOYSA-N 461.412 2.401 30 10 JEEE CC(C)(C)OC(=O)NCC1(C(=O)N2CCc3sc(B4OC(C)(C)C(C)(C)O4)cc3C2)COC1 2284060756 RDUGGIHSAIENOG-UHFFFAOYSA-N 478.420 2.473 30 10 JEEE Cc1cc(CNC(=O)CC2(O)CN(C(=O)OC(C)(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2289491691 FPRIJRVFCXDKKA-UHFFFAOYSA-N 460.380 2.282 30 10 JEEE N#Cc1ccc(N2C[C@@H](C3CCN(C(=O)c4ncccn4)CC3)[C@@H](C(N)=O)C2)cc1C(F)(F)F 2297650218 JOTLBCUEPNSRSG-ROUUACIJSA-N 472.471 2.457 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)n1C 2362334787 ZLMZHZIUBITNJG-INIZCTEOSA-N 462.400 2.499 30 10 JEEE Cn1ncc(C(=O)N2CC[C@H]3C[C@]2(CNC(=O)OC(C)(C)C)C3)c1B1OC(C)(C)C(C)(C)O1 2366377398 YRJDLXJJPFLNHH-GUJKFWMDSA-N 460.384 2.239 30 10 JEEE Cc1c(C(=O)N(C)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2F)nn(C)c1B1OC(C)(C)C(C)(C)O1 2369671019 XOBLIDGNEKNGMW-LSDHHAIUSA-N 466.363 2.057 30 10 JEEE CC[C@@H](C(=O)Nc1ccc(S(=O)(=O)N(CC)CC)cc1)n1c(N)nnc1SCC#N 40173424 HDUYZGQDNYATBV-HNNXBMFYSA-N 451.578 2.096 30 10 JEEE C=CCN1C(=O)C(=c2sc3n(c2=O)[C@H](c2ccco2)C(C(=O)OCC)=C(C)N=3)c2ccccc21 254317290 IRDKWPHIBXOXCY-HXUWFJFHSA-N 475.526 2.294 30 10 JEEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1ccc(OCCN(C)C)cc1 727733241 BNEALOJZEHBFPQ-OAQYLSRUSA-N 472.611 2.397 30 10 JEEE CC#CC[C@@H](NC(=O)C[C@@H](O)CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 757211593 NSRCKMDAYVESOM-OPAMFIHVSA-N 450.491 2.259 30 10 JEEE COc1cc(C=NNc2nnc(SCC(=O)Nc3cccc(Cl)c3)n2N)cc([N+](=O)[O-])c1O 1084003383 YUYUDBOEMPXVDQ-UHFFFAOYSA-N 492.905 2.445 30 10 JEEE CC(C)n1cc(C=NNc2nnc(SCCC(=O)Nc3cccc([N+](=O)[O-])c3)n2N)cn1 1084203756 ISFRRXIALHDSBY-UHFFFAOYSA-N 458.508 2.244 30 10 JEEE Cc1ccccc1-c1cc(NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)n(CCO)n1 1160716098 GOFFTXNYRQKIKZ-MRXNPFEDSA-N 453.524 2.028 30 10 JEEE C#CCCCn1c(-c2ccccn2)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1286343225 HIDNJKSBBYYCLA-UHFFFAOYSA-N 450.568 2.406 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](c2ccccc2OC)C1 1286349560 JYJRAKRAAIQYDW-GHTZIAJQSA-N 473.599 2.027 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CC[C@@H]1CCO[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1286379877 DBFFOXAMGBKOCV-QWFCFKBJSA-N 479.647 2.028 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1cccnc1OCCC)[C@H]1CCS(=O)(=O)C1 1286386848 ILWPNDFWEFMNQA-IBGZPJMESA-N 466.567 2.199 30 10 JEEE C#CCN(c1nnc(-c2ccccc2)n1C[C@H]1CCN(CC(F)(F)F)C1)[C@@H]1CCS(=O)(=O)C1 1286386877 IVOCCCLDSZENJA-PKOBYXMFSA-N 481.544 2.456 30 10 JEEE C#CCN(c1nnc(-c2c[nH]c3ccccc23)n1CCOCC(F)F)[C@H]1CCS(=O)(=O)C1 1286389494 KZESEGPRWKMGAG-HNNXBMFYSA-N 463.510 2.335 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1CC(=C)Br)[C@H]1CCS(=O)(=O)C1 1286390800 FHAQCIPLFGDMPF-HNNXBMFYSA-N 455.403 2.466 30 10 JEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1CN(C(=O)OC(C)(C)C)C1 1286409061 ODZKXJXIBCTLAQ-UHFFFAOYSA-N 497.625 2.178 30 10 JEEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1C[C@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1286438012 TYRFTYQGHJAJPM-GBWYYYKWSA-N 489.617 2.414 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(OC)cc2)n1C[C@@]1(N2CCOCC2)CCSC1 1286463291 LSHUJOJXWWPBRL-DEOSSOPVSA-N 471.627 2.248 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2Cc2snnc2C)CC1 1286488399 YGRRMVJZCQQGRP-UHFFFAOYSA-N 481.582 2.136 30 10 JEEE C#CCSCCn1c(N2CCC(N3CCCC3=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1286513789 XSHGUWCCRUGNMT-HSZRJFAPSA-N 461.632 2.276 30 10 JEEE C=CCCCCn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1286688257 VQDCLTIPZFZOCO-VQTJNVASSA-N 467.636 2.159 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1sccc1C)C1CC1 1286736600 GTJSQLYICJSNDT-KRWDZBQOSA-N 451.618 2.378 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCO2)n1C[C@]1(O)CCS(=O)(=O)C1 1286744155 BFFDRHBESLYQQG-WIYYLYMNSA-N 450.536 2.011 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1286816240 DFAHIYOICVKHGA-IEBWSBKVSA-N 488.589 2.335 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1286817872 YXCYMYGWGJOHBR-UHFFFAOYSA-N 493.593 2.148 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCCN(C(=O)c2ccccc2F)CC1 1286819367 IFBZNSOYSHUMTF-UHFFFAOYSA-N 461.563 2.248 30 10 JEEE CC[C@H](C)N(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1291764754 GARLHWUWGPTJFP-SFHVURJKSA-N 459.620 2.019 30 10 JEEE CCNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(N(C)C)CCC2)CC1 1296318247 GHVFCOYCLSRDOE-UHFFFAOYSA-N 466.590 2.065 30 10 JEEE CNC(=O)[C@@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2csc(COC)n2)C1 1299031791 BBOKPUWVQBCRTB-QHCPKHFHSA-N 481.582 2.342 30 10 JEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2ccc(F)c(F)c2)C1 1300383787 HLQPHXNEOULAHW-KSSFIOAISA-N 453.515 2.158 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCN(CC)CCC)[C@H]1CCS(=O)(=O)C1 1300482886 IJBGRVNOGNWOBA-NRFANRHFSA-N 454.600 2.175 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1CCCN(C)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 1300495146 DKTLOCYOFDVVDV-FPOVZHCZSA-N 463.648 2.063 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCS(=O)(=O)C(C)(C)C 1300563883 PGEOBFVUXRZRLX-UHFFFAOYSA-N 476.624 2.025 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1cc(Br)ccc1OC 1300647923 COAXCANHPCAXNZ-UHFFFAOYSA-N 476.375 2.420 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccc(Cl)c(OC)c2)CC1 1300685101 GIGKHGJDYKNOMY-HSZRJFAPSA-N 459.978 2.396 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccc(OCC)c(OC)c2)CC1 1300685200 JICFFXBADJIGPU-RUZDIDTESA-N 469.586 2.141 30 10 JEEE C#CCN1CCN(c2nnc(CCCOc3ccc(Cl)cc3C)n2C[C@@H]2COCCO2)CC1 1300705965 FUQPGGKCESRVPT-OAQYLSRUSA-N 474.005 2.422 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2CC2(N(C)C)CCOCC2)CC1 1300719060 NCFDDUCHDMEXBF-UHFFFAOYSA-N 480.613 2.030 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1301513893 BUHFXKRVIVGECT-UHFFFAOYSA-N 489.580 2.134 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCc2ccc(OC)cc2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1301587798 YBJYTTDHQREXLX-DVECYGJZSA-N 490.626 2.057 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@H]1CCCO[C@H]1C(C)C 1303402131 FDSRYWBNLSZKPS-IRLDBZIGSA-N 480.617 2.461 30 10 JEEE N#C[C@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CC(=O)NCCc2ccccc2)CCO1 1316535179 FHZPWNPLYYAHGS-KRWDZBQOSA-N 484.358 2.123 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(Cl)c(OC)c(OC)c1 1358872724 XYVDYUIGZMLQHL-QWHCGFSZSA-N 455.968 2.065 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CC(C)(C)COC)[C@H]1CCS(=O)(=O)C1 1358959392 HZFKVZUABIFHPS-INIZCTEOSA-N 451.980 2.293 30 10 JEEE C#CCN(c1nnc(C2CCCC2)n1CCC(=O)N1CCCCCC1)[C@@H]1CCS(=O)(=O)C1 1358961833 FXBDXHCZWGGLJX-HXUWFJFHSA-N 461.632 2.355 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCS(=O)(=O)C(C)(C)C 1358972136 VDRWAXYGNARFRO-UHFFFAOYSA-N 474.583 2.257 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C/C=C\CC 1359017243 YLFHFOKSWMKAEM-PXDRNWIDSA-N 461.563 2.356 30 10 JEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@](C)(O)c2cccc(Cl)c2)CC1 1359038325 RTIKYZCCKJLOOG-XMMPIXPASA-N 468.005 2.456 30 10 JEEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1359051066 LFANURWTJKEERQ-IBGZPJMESA-N 497.625 2.353 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1359096264 YTXVDFVBTYYPDH-VMBXEPDQSA-N 451.527 2.158 30 10 JEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@](O)(c2ccccc2)C(F)(F)F)CC1 1359159234 QRZSCUIBXQBZNB-HNAYVOBHSA-N 473.521 2.495 30 10 JEEE C=CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1359217420 ZARYXXTZRAHSJO-IAGOWNOFSA-N 469.608 2.176 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCN(CCOC)[C@H](C)C1 1359295037 MYXCCSIEGVTUKH-QGZVFWFLSA-N 491.434 2.475 30 10 JEEE CC(C)OC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cc(CO)nn2)CC1 1360363627 AUGLAAAJESBZTH-UHFFFAOYSA-N 450.547 2.385 30 10 JEEE CC(=O)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1435454073 FISQFPHFXZBJRP-FXAWDEMLSA-N 457.506 2.326 30 10 JEEE N#Cc1ccc(F)c(CS(=O)(=O)NCc2ccccc2S(=O)(=O)N2CCCCC2)c1 1474877359 GIOIEGJARFYONP-UHFFFAOYSA-N 451.545 2.492 30 10 JEEE CCc1nc(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@H](CNC(C)=O)C2)no1 1498364967 GEVMWQIOHKEXSL-LJQANCHMSA-N 478.557 2.269 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1nnc2n1CCC2 1507531109 AOUWFJRRHUFSOC-SJORKVTESA-N 454.579 2.437 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C(F)(F)F)cc1 1507538408 MBYPGCBQDBITMT-RHSMWYFYSA-N 471.505 2.136 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1Cc1cccnc1OCCC)[C@@H]1CCS(=O)(=O)C1 1507626533 ARVPPKDQMVXKRP-LJQANCHMSA-N 468.583 2.142 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCCN(C)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1507630527 BDDZRJPMMPCAKM-OAQYLSRUSA-N 466.611 2.422 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1CC1CCN(C(C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1507634832 QATROFYGBWDRLP-QHCPKHFHSA-N 483.638 2.063 30 10 JEEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccccc1CN1CC[C@H](O)C1 1507661588 ZZBOAXDJALZFHZ-LSYYVWMOSA-N 491.636 2.397 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)CC1 1507732641 ITAZBFYSTDBKBR-AABGKKOBSA-N 476.622 2.013 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@](C)(O)c2ccco2)CC1 1507734593 POGJOUUBCSHLGK-DEOSSOPVSA-N 478.509 2.320 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccccc2OC)CC1 1507737138 YKPVCLQYSGRWBV-AREMUKBSSA-N 481.597 2.341 30 10 JEEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2nc(C)cc(OCC)n2)CC1 1507752203 WUSDTYBHCFQDGT-LJQANCHMSA-N 471.631 2.362 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCS(=O)(=O)Cc1ccccc1 1507820761 MFHRGBAONKRTIH-LJQANCHMSA-N 466.629 2.198 30 10 JEEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(OC2CCCC2)CC1 1507844027 ATCAPFNHEJORNU-NRFANRHFSA-N 497.662 2.132 30 10 JEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)N2CCc3ccccc3C2)CC1 1507880806 JYLHTQRSVPJQPE-MOPGFXCFSA-N 458.632 2.492 30 10 JEEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1507936085 XPYSJZPFIIVXHG-WOJBJXKFSA-N 492.690 2.106 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)C1CC1 1507998535 GPRFBPSFHIAGRX-XXBNENTESA-N 455.584 2.405 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCCN(CC)C(=O)C2)cc1 1508097644 SOFNIBLLIUYFMF-UHFFFAOYSA-N 452.559 2.186 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC2(CCC(F)(F)CC2)C1 1508141197 LRITZKUCSQYLGU-HNNXBMFYSA-N 457.547 2.236 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CCN(C(=O)C(C)C)CC1 1508144867 YOCYVYIOKNLXGO-UHFFFAOYSA-N 475.615 2.071 30 10 JEEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 1509951283 GECYDKYUBQEEKM-MNEFBYGVSA-N 451.531 2.133 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@H](C)N1CCc2ccccc2C1 1510192522 BWSRTUHAMSYHPE-JXQFQVJHSA-N 485.658 2.465 30 10 JEEE CO[C@@H]1CCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1518560749 BICYSJLAHPLJLE-SESVDKBCSA-N 472.615 2.397 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1CCCNS(=O)(=O)CC 1538984655 NAYNOFRGHXRKAI-CQSZACIVSA-N 454.394 2.495 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1cccc(C2OCCO2)c1)[C@H]1CCS(=O)(=O)C1 1539202431 IPNHYDCMMJNKAC-IBGZPJMESA-N 458.584 2.296 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCN(C(C)C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1539231791 WLJBMQZMHYXSFQ-WOJBJXKFSA-N 451.637 2.265 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N(C)Cc1cscn1 1540904287 LIWGJUUGWWJZSU-UHFFFAOYSA-N 457.585 2.210 30 10 JEEE COCCNC(=O)[C@H]1CN(C(=O)CCOC)CC12CCN(c1ccc(C#N)c(C(F)(F)F)c1)CC2 1548376230 UIPALGXSCVKSGD-HXUWFJFHSA-N 496.530 2.421 30 10 JEEE Cn1ccc(C(=O)N2CCC([C@@H]3CN(c4ccc(C#N)c(C(F)(F)F)c4)C[C@H]3C(N)=O)CC2)n1 1548397491 ZPHAEAPZMDZPMF-ZWKOTPCHSA-N 474.487 2.401 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCCS(C)(=O)=O 1587632247 JLWVOBCWUPUIDI-INIZCTEOSA-N 453.609 2.285 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@@H]1CCC[C@H](O)C1)[C@H]1CCS(=O)(=O)C1 1588039989 HFAVGVIHHZACLJ-HOJAQTOUSA-N 458.584 2.132 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCC1CC(OCC)C1)[C@@H]1CCS(=O)(=O)C1 1588050997 YYDJQELHKDPBPZ-IOJLRTSASA-N 457.600 2.480 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2cccc(F)c2)CC1 1588890929 ITTAARYMMOGBSA-RUZDIDTESA-N 469.561 2.472 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)c1ccc([S@](C)=O)cc1 1589068635 CGNGVPSVDJIZMR-DBDMJMDNSA-N 480.681 2.481 30 10 JEEE C=CCC(C)(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCCN(S(C)(=O)=O)CC1 1594484231 OXTBBELRUINYOM-UHFFFAOYSA-N 499.641 2.266 30 10 JEEE C=CCCOCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC(C)(OC)C1 1594813202 QKMASWDWEBHTOK-KRWDZBQOSA-N 451.568 2.404 30 10 JEEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1595398626 HXIMIUJKXMNFGJ-IBGZPJMESA-N 474.606 2.406 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1595501023 JOSDXQHODPAHJG-KRWDZBQOSA-N 485.566 2.043 30 10 JEEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H]2CCCOC2)c1 1617705731 FELUMBWUDWZBDN-IERDGZPVSA-N 462.551 2.064 30 10 JEEE C#CCN(C(=O)Nc1ccc(OCC(=O)N(CC)CC)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 1657927183 FMHPQZJTEXCMQZ-MRXNPFEDSA-N 455.964 2.241 30 10 JEEE C#CCn1ccc(CN(CCOC)C(=O)Nc2cc(C(=O)OC)ccc2-n2cc(C)cn2)n1 1669896010 JAOIXKGGXLSJNY-UHFFFAOYSA-N 450.499 2.478 30 10 JEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CNC(=O)c2ccccc2)C1 1689930360 QDHRAAVMQHBWMJ-FPOVZHCZSA-N 469.611 2.240 30 10 JEEE C#CCCCn1c(COc2ccc(Br)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1689938172 CIWIODFKWRPBNP-MRXNPFEDSA-N 459.348 2.247 30 10 JEEE C#CCN(C)c1nnc(COc2ccc(OC)cc2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1689975268 QEDVMANYKJWMBP-NQIIRXRSSA-N 473.599 2.139 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)Oc2ccccc2F)CC1 1690134819 HAZWFVWUCHJWHC-SFHVURJKSA-N 482.560 2.087 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCCn2nc(C)cc2C)CC1 1690138304 YEUFYHFEGAXIKS-AREMUKBSSA-N 497.644 2.188 30 10 JEEE C#CCSCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1690157634 LIXFTVCWEOKKGC-LPHOPBHVSA-N 486.573 2.396 30 10 JEEE C#CCSCCn1c(N2CC[C@@H](C(=O)NCC(F)(F)F)C2)nnc1[C@]1(OC(C)C)CCOC1 1690185736 FSZZZOVBURDNHA-UZLBHIALSA-N 489.564 2.190 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1690195730 PAHKXQPKIACTPX-QTLGCAHFSA-N 469.561 2.406 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCc2oncc2C1 1690670737 HXXSCAJQXOMNSE-MRXNPFEDSA-N 471.562 2.246 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1690723638 XMTRWQVRWWABJK-UHFFFAOYSA-N 486.642 2.478 30 10 JEEE CC(=O)N1CCC[C@H](Cn2c(N3CCO[C@@H](C#N)C3)nnc2[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)C1 1690813907 WBKCIUYIIQOVFZ-HAGHYFMRSA-N 487.605 2.036 30 10 JEEE Cc1n[nH]cc1CCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1692911181 BDLYPOYVFNUQST-UHFFFAOYSA-N 479.564 2.418 30 10 JEEE CCS(=O)(=O)N(C)CCCn1c(-c2cccnc2)nnc1N1CCN(c2ccccc2C#N)CC1 1696489237 HMHULKIAWYRPCU-UHFFFAOYSA-N 494.625 2.210 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCCCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1705567284 VLKYVERAFDJTHY-UXHICEINSA-N 460.604 2.132 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1CC1CCN(C(=O)OC)CC1)[C@@H]1CCS(=O)(=O)C1 1705570401 MXIASFZZOAUKBA-JOCHJYFZSA-N 499.637 2.282 30 10 JEEE C=C(Br)Cn1c(N(C)CCS(=O)(=O)CC)nnc1[C@@]1(OC(C)C)CCOC1 1705691185 SJXPRISTNIACJX-QGZVFWFLSA-N 465.414 2.098 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1705705475 IEUQNLLOUZWPDH-MZKRTTBSSA-N 488.658 2.353 30 10 JEEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(OCCN2CCCC2)CC1 1705888299 QBEKXHMQHLEXEA-UHFFFAOYSA-N 488.658 2.463 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)CC1CCOCC1 1705932936 OVPDORUMYOXWTO-UHFFFAOYSA-N 462.572 2.180 30 10 JEEE CC(=O)NC1CCC(N(C)c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCSC2)CC1 1706017399 HIWOWRGBJYZXAJ-IMQCZEGASA-N 484.626 2.480 30 10 JEEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1cccnc1-n1cccn1 1706831925 CFGOUWXCBVFKPY-QGZVFWFLSA-N 476.566 2.315 30 10 JEEE CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2Cc2ccc(OC(F)F)c(F)c2)CCOC1 1710482434 FRBDIHFKCWRNPV-VFNWGFHPSA-N 467.448 2.448 30 10 JEEE CN(C)[C@H](Cn1c(CN2CCCC2=O)nnc1N1CC[C@](F)(C#N)C1)c1c(F)cccc1F 1710997799 GEXPIXUHMJTZDE-VGSWGCGISA-N 461.492 2.424 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@H]1CN(Cc2ccccc2)CCCO1)[C@H]1CCS(=O)(=O)C1 1722358597 JLKQXXFVRSNUJE-GOTSBHOMSA-N 499.681 2.493 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H](c1cccc(OC)c1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1722362110 SESVEPGLQLXCAT-KNQAVFIVSA-N 482.610 2.211 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CCC1CCC(OC)CC1)[C@@H]1CCS(=O)(=O)C1 1722366107 PKEJGLNSWGXDIN-NJEKYYFSSA-N 471.627 2.486 30 10 JEEE C#CCN(CC#CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCCS(C)(=O)=O 1722399584 CXEUAELTFLXTOZ-UHFFFAOYSA-N 477.631 2.290 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CC2(S(C)(=O)=O)CC2)CC1 1722431266 NJZCXZPEPLCPJV-HXUWFJFHSA-N 471.627 2.367 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2CCNC(=O)[C@@H](C)CCC)CC1 1722432519 AKSPNZZMBZWOSC-KRWDZBQOSA-N 490.450 2.354 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCN(C)C(=O)OC(C)(C)C)CC1 1722438259 UQVHEPLOSKUYLJ-NRFANRHFSA-N 482.585 2.413 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3OCC)n2C[C@@H]2CCOC[C@@H]2OC)CC1 1722441280 JREWONAXZXTJBU-REWPJTCUSA-N 469.586 2.063 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2Cc2ccc(NC(C)=O)cc2)CC1 1722448357 AOPVTXUXAWXKGO-UHFFFAOYSA-N 471.565 2.236 30 10 JEEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1722536730 ZIPDZADNBBJXTC-JTSKRJEESA-N 461.588 2.247 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCC[C@@H]2CCCCO2)CC1 1722566726 XUAIWVPZHSHLIM-OALUTQOASA-N 453.609 2.117 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2cnnn2C)CC1 1722583878 VTTZMNIVRBZIKM-SFHVURJKSA-N 458.567 2.166 30 10 JEEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCOC[C@@H]1OC 1722640168 JRLSGYJXZRMMPA-BZSNNMDCSA-N 451.568 2.260 30 10 JEEE C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(=O)N(C)C2CCCCC2)CC1 1722682241 YBEMBLLABDHFIR-UHFFFAOYSA-N 466.590 2.025 30 10 JEEE CN(C)C(=O)CCCn1c(-c2cnn(C)c2)nnc1N1CCCN(c2ccccc2C#N)CC1 1729299574 AHCRPSKFCKNVJA-UHFFFAOYSA-N 461.574 2.135 30 10 JEEE COCCN(C)S(=O)(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cc(C)on2)C1 1730733346 BEQWDDMVEOITLS-OAQYLSRUSA-N 499.597 2.038 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1OCC(F)(F)F 1740532348 DSAIHFCKZPLQQN-UONOGXRCSA-N 459.494 2.336 30 10 JEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@H]1c1nncn1C 1740583186 WHXLXWAVHZKHMC-LJQANCHMSA-N 468.587 2.079 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCOC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1740619323 NJGHFXJMVLSXRX-INIZCTEOSA-N 487.460 2.407 30 10 JEEE C#CCN(c1nnc([C@H]2COc3ccccc3O2)n1CC(C)(C)CN(C)C)[C@@H]1CCS(=O)(=O)C1 1740627184 OOLITFVZQRPDGL-WIYYLYMNSA-N 487.626 2.005 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCN(CC)C1CC1)[C@H]1CCS(=O)(=O)C1 1740628693 SOPPGUKUVVNLHQ-PWRODBHTSA-N 477.675 2.308 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)nc2)n1C[C@H](N1CCOCC1)C(F)(F)F 1740634716 HNRSJVLMFLUZCK-INIZCTEOSA-N 452.868 2.329 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCN1CCOC(C)(C)C1 1740637896 DTVFQWFVISQWHI-UHFFFAOYSA-N 487.608 2.249 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)NC(CC)CC)n1CC(=O)N1CCN(c2ccccc2)CC1 1740644859 XFSBUEHWNIBLFY-UHFFFAOYSA-N 489.624 2.008 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1C[C@]1(O)CCN(C)C1 1740649425 UDAIPUQHPHQDBM-CPJSRVTESA-N 451.571 2.346 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)CN2CCCCC2)CC1 1740839044 FPJCAUYMUVKZRD-TZIWHRDSSA-N 480.679 2.135 30 10 JEEE C=CCC(C)(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1740847492 KDQMMHLRZAFHKB-INIZCTEOSA-N 480.660 2.464 30 10 JEEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCNC(=O)C(C)(C)C 1740899435 BNOYAECGYQFNGB-INIZCTEOSA-N 450.584 2.371 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCN(CCN2[C@H](C)CC[C@H]2C)CC1 1740956679 XUSKDCODWCFHFP-WOJBJXKFSA-N 469.609 2.381 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 1740985276 FLJMTALBSYTZLR-OAHLLOKOSA-N 451.553 2.339 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1740994889 WBTCEYORTSDMOK-UHFFFAOYSA-N 453.609 2.136 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CNC(=O)c3cccs3)n2C[C@@H](C)N(C)C)c1 1748694936 UUJSFQBWXOKXLH-QGZVFWFLSA-N 479.610 2.276 30 10 JEEE C#CCN(c1nnc(C2CCCC2)n1Cc1c(CC)nn(C)c1CC)[C@@H]1CCS(=O)(=O)C1 1748816009 VOGJYADBUMFEDP-GOSISDBHSA-N 458.632 2.469 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CCc1nnc(C)s1)[C@H]1CCS(=O)(=O)C1 1748824053 HXAGLCWRLTYJDM-KRWDZBQOSA-N 490.586 2.026 30 10 JEEE COc1ccc(O[C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(CC#N)CC2)cc1 1748849911 CUVIOVVKEFZXII-IAGOWNOFSA-N 476.603 2.494 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@](C)(OC)C1CC1 1748964020 DVSRXXOMJVDCNZ-NTKDMRAZSA-N 477.606 2.488 30 10 JEEE C#CCN1CCN(c2nnc(-c3cnccn3)n2C[C@@H](C)Cc2ccc(OC)c(OC)c2)CC1 1748987674 ZZCYCCOMXMPKPO-IBGZPJMESA-N 461.570 2.386 30 10 JEEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1749026518 LCIKNPJPFDBKDU-INIZCTEOSA-N 483.063 2.468 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(F)cccc1Cl 1749067411 SJLFAELAYUKWBC-WIYYLYMNSA-N 481.981 2.444 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2nnc(O)c3ccccc23)nnc1N(CC)CCS(C)(=O)=O 1749128097 RWJLAKUQROZNAE-JXFKEZNVSA-N 486.598 2.446 30 10 JEEE C=C(C)COCCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@H](S(C)(=O)=O)C1 1749213886 RCDKFBAVOMVOAT-HNNXBMFYSA-N 472.409 2.262 30 10 JEEE C=CCCOCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@@H](NC(C)=O)C1 1749458058 XFVLYIASFUBVBC-OAQYLSRUSA-N 468.606 2.150 30 10 JEEE C=CCN(CCOC)c1nnc(C2(c3ccccc3)CCC2)n1CC1(O)CCS(=O)(=O)CC1 1749592521 OPUPRMOZAKCYJC-UHFFFAOYSA-N 474.627 2.327 30 10 JEEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCN(CCN2[C@@H](C)CC[C@H]2C)CC1 1749640289 MCUZGLPMQVSKGB-KDURUIRLSA-N 457.648 2.450 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@H](N2CCCC2=O)C1 1749651922 BWAFDBIXTLXFFZ-IRXDYDNUSA-N 456.522 2.061 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC2(O)CCS(=O)(=O)CC2)C1 1749697612 LNJNGRJBFXRIMW-YLJYHZDGSA-N 494.589 2.278 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1749730543 IBJXSXGAPUDCAP-NJNPRVFISA-N 461.588 2.022 30 10 JEEE CS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C[C@H]2CCOC2)C1 1750215932 HQOIVOQGJIIXDH-RTBURBONSA-N 458.588 2.009 30 10 JEEE C[C@H]1CN(C(C)(C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCNC(=O)CC2)C[C@@H](C)O1 1752268193 BLVUPJXMUPSDHE-HDICACEKSA-N 451.575 2.031 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCC2(C1)OCCO2 1760102849 SSZREDVZTDSSDF-ROUUACIJSA-N 473.599 2.197 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C)N2CCC(C)CC2)c1 1760128762 RKXCKHLMWFHKBE-UGKGYDQZSA-N 477.613 2.406 30 10 JEEE C#CCCCCn1c(N2CC[C@@H](S(=O)(=O)NCC)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1760142430 BYRNWMOFSGGRGD-CEXWTWQISA-N 494.662 2.370 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1CC1(COC)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1760184018 GJOHCDGTIPIVJQ-HXUWFJFHSA-N 472.611 2.323 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1CC(C)(C)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1760184678 KUQQNWWMGZFZCS-QGZVFWFLSA-N 490.630 2.214 30 10 JEEE C#CCN(c1nnc(-c2ccc3ccccc3n2)n1CCC(=O)N[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1760185022 NTHHPTYIILYLHH-QUCCMNQESA-N 494.621 2.425 30 10 JEEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC1([S@@](C)=O)CCC1 1760206875 PIBPUJYEZUFTJG-UUWRZZSWSA-N 478.666 2.017 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H](CC)OC)CC1 1760264722 CTNVPYSFUSDMSX-FQEVSTJZSA-N 487.004 2.252 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@](C)(O)CC)CC1 1760267740 YBEWGWRPSWICIL-XMMPIXPASA-N 455.559 2.089 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC)n2C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 1760269916 GVAYMSICQAMCFA-GOSISDBHSA-N 458.607 2.453 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC2(O)CCCC2)CC1 1760273609 ZZTFPAUPOURCSJ-WOJBJXKFSA-N 457.619 2.468 30 10 JEEE C=C(Br)Cn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1760310175 VMTTVEISYTWHMW-UHFFFAOYSA-N 493.381 2.090 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1760320416 VARMABCSXFRPHB-PYDOFHOQSA-N 486.569 2.304 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccs1 1760322163 ORSPBLSZMLWTGA-NEWSRXKRSA-N 481.644 2.290 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCCN(CC(F)(F)F)CC1 1760325416 QRWVGOGAAUBOFJ-YLJYHZDGSA-N 470.540 2.456 30 10 JEEE C=C(C)COCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN2C(=O)OC[C@H]2C1 1760352694 WMWJEHHBGDGNDT-GOSISDBHSA-N 474.949 2.095 30 10 JEEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(C)C)CC1 1760357127 FEFXBHAVBSSAHK-IBGZPJMESA-N 455.625 2.076 30 10 JEEE C=CC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)CC1 1760405545 WSKHRNDAEOWPOZ-UHFFFAOYSA-N 456.572 2.167 30 10 JEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC([C@H]2CCOC2)CC1 1760427803 ISZFIFMZZVPVLN-PMACEKPBSA-N 467.636 2.220 30 10 JEEE CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](OC)C2CC2)CC1 1762054302 FSFXVADFHYCPPA-AVRDEDQJSA-N 465.602 2.278 30 10 JEEE COc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCCN(Cc3ccc(C#N)cc3)CC2)cn1 1768642632 HROGZGRRAPHRHN-UHFFFAOYSA-N 488.596 2.452 30 10 JEEE C[S@](=O)C1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(S(C)(=O)=O)CC2)CCC1 1770360784 AAAHJKYBJXXHNN-PMERELPUSA-N 461.613 2.131 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)C(=O)NC2CCN(C(=O)OCC)CC2)c(C(=O)OCC)c1C 1860760887 GWNYNUQTCRZWCB-UHFFFAOYSA-N 495.554 2.252 30 10 JEEE C=CCNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1ccc2nc(-c3cc(OC)c(OC)c(OC)c3)[nH]c2c1 1861424066 BQHUZDGRJCEEPR-APWZRJJASA-N 480.521 2.133 30 10 JEEE O=C(C1=C(O)C(=O)N(CCCN2CCCC2=O)[C@@H]1c1ccc(O)c(O)c1)c1ccc2c(c1)OCCO2 1862606854 BLQFHOQXLHQQKM-HSZRJFAPSA-N 494.500 2.460 30 10 JEEE C=CCNS(=O)(=O)c1ccc2nc(NC(=O)CCN3C(=O)Cc4ccccc4C3=O)sc2c1 1866215587 FLGYYQSPHAPUJW-UHFFFAOYSA-N 484.559 2.314 30 10 JEEE N#C[C@@H](c1cccs1)N1CCC(C(=O)NCC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 1868784614 XRFVASDSUOFYJS-NRFANRHFSA-N 496.593 2.398 30 10 JEEE C=CCN(CC=C)c1nc(=NC(=O)c2ccc(OC(=O)OCC)cc2)n([C@H]2CCS(=O)(=O)C2)[nH]1 1870002520 NSRUCAFMHNGFNH-KRWDZBQOSA-N 489.554 2.026 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)COc2nonc2CC(=O)Nc2ccc3nc[nH]c3c2)nc1C 1872664535 GSXZVSPWBVUJGA-UHFFFAOYSA-N 497.493 2.252 30 10 JEEE CCN1CCN(CC#CCOC2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)CC1 1889708326 UVWVYZQYYNDYIS-UHFFFAOYSA-N 459.656 2.376 30 10 JEEE N#Cc1nc(-c2cccs2)oc1N1CCC(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 1891417403 MHTPYJOHXQQMQG-UHFFFAOYSA-N 485.591 2.497 30 10 JEEE Cc1cc(C)c(C)c(S(=O)(=O)N2CCC[C@H]2C(=O)N(C)C2CN(c3nccnc3C#N)C2)c1C 1891964024 VBJBNZHLOSGYAP-NRFANRHFSA-N 482.610 2.082 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](Cc1ncns1)C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2206636516 TZKTVKIHXUOVIB-AWEZNQCLSA-N 475.380 2.307 30 10 JEEE C=C(CS(=O)(=O)N=S1(=O)CCN(C(=O)OC(C)(C)C)CC1)B1OC(C)(C)C(C)(C)O1 2247985738 LXWNXAVBNZBYHM-UHFFFAOYSA-N 464.415 2.223 30 10 JEEE Cc1cc(C(=O)N2CC(O)(CNC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2255637238 DYHZDXFGAJTYRL-UHFFFAOYSA-N 452.382 2.067 30 10 JEEE CC(C)(C)OC(=O)NCc1nc(=NC(=O)c2occc2B2OC(C)(C)C(C)(C)O2)s[nH]1 2255650988 GKVKWTMWDTWLEY-UHFFFAOYSA-N 450.326 2.129 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)sc1CNC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)O 2256617081 GOCMKQKKXMDMDP-CZUORRHYSA-N 454.398 2.246 30 10 JEEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2256627189 SQKVRQPNPMLDTM-OLZOCXBDSA-N 452.386 2.091 30 10 JEEE COC[C@@]1(NC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)CCN(C(=O)OC(C)(C)C)C1 2267157790 BGEWRHILFPRTIB-OAQYLSRUSA-N 467.397 2.198 30 10 JEEE CN(Cc1n[nH]c(NC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)n1)C(=O)OC(C)(C)C 2267162526 PYQFQDNZWNABNI-UHFFFAOYSA-N 464.357 2.180 30 10 JEEE CC(C)(C)OC(=O)NCCOCCCNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2267372693 RYVDVOQMVOVNTF-UHFFFAOYSA-N 490.453 2.257 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H]1CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2267376615 YTHTZWUVCDUMMJ-HOTGVXAUSA-N 466.409 2.425 30 10 JEEE CC(C)(C)OC(=O)N[C@@](C)(CO)CNC(=O)c1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2267406017 TYUXVVPPMJASRD-JOCHJYFZSA-N 452.332 2.130 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CC(C(=O)NCc2sccc2B2OC(C)(C)C(C)(C)O2)=C[C@@H]1O 2268715337 POIGCMSZKPALAU-HOTGVXAUSA-N 464.393 2.248 30 10 JEEE C[C@@H]1CCCN(C(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)[C@H]1CNC(=O)OC(C)(C)C 2281981975 QLTZTYQOVNVOPQ-WBVHZDCISA-N 462.400 2.485 30 10 JEEE Cc1nn(C)c(C(=O)N=[S@@](C)(=O)C[C@H](C)NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2281985610 KXGARUAWTXPJKJ-KMWOBCOYSA-N 484.428 2.179 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2CN(C(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)C[C@H]21 2281990740 QROFPXZZBYWBQI-ZMSDIMECSA-N 460.384 2.474 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](O)CN1C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282011287 HAPBPAQKSLLVLW-LSDHHAIUSA-N 481.786 2.134 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@H]1C[C@H]2NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2282018476 XKTXWCGZOSKVGE-YALNPMBYSA-N 458.368 2.197 30 10 JEEE CO[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)N(C(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282171255 HVQNGZJXWDFMQR-ZWKOTPCHSA-N 461.368 2.135 30 10 JEEE C[C@@H](O)CN(CCNC(=O)c1ccc(F)cc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2282400432 YDHMOVRCGMNTIK-OAHLLOKOSA-N 466.359 2.473 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CN(S(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)CC12CC2 2282501390 WOCDOAWSOGYLHN-OAHLLOKOSA-N 499.464 2.261 30 10 JEEE CCc1nc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2OC)c(B2OC(C)(C)C(C)(C)O2)s1 2282513819 VFVRBUUYBSUWNU-ZIAGYGMSSA-N 481.424 2.369 30 10 JEEE CN(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)[C@@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C 2282536113 YENDYHQMXGKOKD-NVXWUHKLSA-N 462.400 2.485 30 10 JEEE CC(C)(C)OC(=O)N1C[C@]2(C)CN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)C[C@@]2(C)C1 2282580245 QLFNHPXJAGCUSH-GOTSBHOMSA-N 460.384 2.428 30 10 JEEE Cc1ccc(C(=O)NC2(CCO)CN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2282678136 INPWVNZAVWGHBK-UHFFFAOYSA-N 460.380 2.396 30 10 JEEE Cn1cc(C=Nn2c(SCC(N)=O)nnc2[C@@H]2CC(=O)N(C(C)(C)C)C2)c2ccccc21 2327842672 YHQRNDCQIKUMPY-CQSZACIVSA-N 453.572 2.344 30 10 JEEE CC(C)(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 2333920460 QJYUGNNJCOFTML-FAJBIJEISA-N 465.591 2.273 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)Nc1nc(CNC(=O)OC(C)(C)C)cs1 2337200940 ORUWKHUAXGIKKX-UHFFFAOYSA-N 463.369 2.453 30 10 JEEE CC1(C)OB(c2sncc2C(=O)N2C[C@H]3CC[C@H]2[C@H](NC(=O)C(F)(F)F)C3)OC1(C)C 2337395693 CRFGTXSYFGGVAG-UHTWSYAYSA-N 459.299 2.114 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)Nc1cc(F)c(B2OC(C)(C)C(C)(C)O2)c(F)c1 2341210815 OCFUNQMIYWEZPE-MEDUHNTESA-N 456.295 2.477 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(N2C[C@@H]3CN(C(=O)OC(C)(C)C)[C@H](CO)[C@H]3C2)n1 2362167454 JKQZOKCTOXTGEQ-NZSAHSFTSA-N 459.396 2.353 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1[C@H]2CC[C@H]1[C@@H](CNC(=O)OC(C)(C)C)C2 2362465688 TXBCIIOOUISYPM-PMPSAXMXSA-N 460.384 2.237 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC2CC3(C2)C[C@H]3NC(=O)OC(C)(C)C)n1C 2362493477 IVAKRNAJQXQEIP-UVOCGCJZSA-N 460.384 2.203 30 10 JEEE CC1(C)OB(c2cc(O)c(C(=O)N3CC[C@@](C)(NC(=O)C(F)(F)F)C3)cc2F)OC1(C)C 2364883982 JQEGOGJJGNABEP-LJQANCHMSA-N 460.233 2.114 30 10 JEEE CCOc1cc(/C=N/NS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc(Br)c1O 169907874 CRFCBNGYXPQOBR-QGMBQPNBSA-N 456.274 2.300 30 10 JEEE COC(=O)c1ccccc1N1C(=O)C(Sc2nc(C)cc(C)c2C#N)=C(N(C)CCO)C1=O 526696046 LVUWEFPLPCSDKH-UHFFFAOYSA-N 466.519 2.158 30 10 JEEE CCOc1ccc(/C=C/C(=O)[C@@H]2C[C@H](NC(=O)CNC(=O)c3ccccc3)CCN2)cc1OC 585828338 RQQHTUVSYXONPH-OYPYUYDNSA-N 465.550 2.343 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCN(C(=O)c3ccc(F)c(F)c3)CC2)ccc1F 914527592 OYRKONIPHPDHGP-UHFFFAOYSA-N 467.469 2.166 30 10 JEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2[C@@](C(F)(F)F)(CCCS2(=O)=O)C1 1158826073 NEFIJYJDWXQOCS-HBUWYVDXSA-N 452.495 2.261 30 10 JEEE C=CCN(CCc1ccco1)CC(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 1192654380 XVLBOVRLMRUJHY-UHFFFAOYSA-N 453.511 2.121 30 10 JEEE C#CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(CC(F)F)CC1 1286325393 ZDTIBPSNKKRKDS-UHFFFAOYSA-N 455.513 2.383 30 10 JEEE C#CCN(C)c1nnc(COc2ccccc2OC)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1286381381 LVDYKYDPFHWJCY-MOPGFXCFSA-N 473.599 2.139 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@](C)(O)CCC(C)C)[C@@H]1CCS(=O)(=O)C1 1286391433 DKLWNJAZHHBLMB-OFNKIYASSA-N 459.616 2.078 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](OC)C(C)C 1286468140 ZLSLJTCCKXZWJU-OALUTQOASA-N 465.595 2.344 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1286496288 PKEAPBPCDBYBNG-MRXNPFEDSA-N 457.560 2.007 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCN1CCCC1 1286517420 HCRSLNOERQMSCQ-HSZRJFAPSA-N 456.616 2.283 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1286547459 GFALKRKEOROJOK-ROUUACIJSA-N 498.550 2.390 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CCOC)C(=O)C1 1286548435 BCZGMIUVCYXCST-IRLDBZIGSA-N 450.543 2.093 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCN(c2nccnc2C)CC1 1286550071 CBWWZXVZJNLTCM-HBMCJLEFSA-N 471.606 2.408 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCSCC(F)(F)F 1286580749 BQAQHQFKCFUZBT-AWEZNQCLSA-N 471.571 2.309 30 10 JEEE C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](NC(=O)C(C)C)C1)c1ccccc1 1286615815 VCHVKEZHAVGZLY-ICSRJNTNSA-N 474.631 2.343 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCc2ccc(Cl)nc2C1 1286781851 CKGVJTMTNFSIKY-UHFFFAOYSA-N 486.985 2.262 30 10 JEEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 1286790865 YXXDNAUIAISPPS-UHFFFAOYSA-N 454.550 2.415 30 10 JEEE Cc1ccc(OCc2nnc(N3CCC(C#N)CC3)n2CCS(=O)(=O)N2CCSCC2)cc1 1289796776 FSOWNAHAGORPJZ-UHFFFAOYSA-N 490.655 2.284 30 10 JEEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CC2)C[C@@H](C(F)(F)F)O1 1291278937 DZDDHQZYOLKQPL-YOEHRIQHSA-N 499.515 2.462 30 10 JEEE CCC(CC)(Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)C#N)SC 1291931850 COEQVEMRBRLFHG-JKSUJKDBSA-N 458.654 2.129 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccccc1CN1CCC(O)CC1 1300268164 NZMREFBAWQRLBX-IBGZPJMESA-N 473.581 2.388 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(NC(=O)OC(C)(C)C)COC1 1300282290 HBIDOKCCJCNMHQ-INIZCTEOSA-N 489.598 2.100 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2CC2(S(C)(=O)=O)CCCC2)c1 1300334164 ICMHAKDBQFEXCA-LJQANCHMSA-N 485.610 2.196 30 10 JEEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1300391150 HPOKDNMHASJWOK-LJQANCHMSA-N 483.569 2.212 30 10 JEEE C#CCCCn1c(COc2ccc(OC)cc2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1300422610 UOSNBCXZZXWYJI-UHFFFAOYSA-N 475.553 2.100 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1Cc1ncn(-c2ccccc2)n1)[C@@H]1CCS(=O)(=O)C1 1300481922 CGYXKLIKODXZIW-IEBWSBKVSA-N 453.572 2.047 30 10 JEEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2Cc2ccc(OCC(F)(F)F)nc2)CC1 1300703945 WORFGFGEQZHQGC-UHFFFAOYSA-N 471.487 2.404 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCOc2ccc(F)c(Cl)c2)CC1 1300711084 SDRNMNIMFYNBHF-UHFFFAOYSA-N 490.967 2.254 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2Cc2cccnc2OC)CC1 1300716764 QOKAOGFPGHGXRA-UHFFFAOYSA-N 490.564 2.380 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2CCCc2nc(C)no2)CC1 1300719290 VJIZTMULAONPPY-UHFFFAOYSA-N 451.506 2.374 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2ccoc2)CC1 1300725061 FMOKKLUZCDZTOH-HXUWFJFHSA-N 498.584 2.194 30 10 JEEE C=C(Cl)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1301052351 XKEULDLVVGVBBW-KRWDZBQOSA-N 472.977 2.188 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C)[C@H](OC)C1 1301150901 DDAIEPUDZILQOU-KSZLIROESA-N 455.625 2.075 30 10 JEEE C=CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CCNS(C)(=O)=O 1301236195 BAOJIPTVMKGKHG-INIZCTEOSA-N 456.613 2.302 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1301514051 DOSOLTUKCPYCGN-GMAHTHKFSA-N 482.629 2.323 30 10 JEEE C=CCOc1ccccc1Cn1c(-c2ccc[nH]2)nnc1N1CCCN(S(C)(=O)=O)CC1 1301530171 VRWCVYLIIDLZAX-UHFFFAOYSA-N 456.572 2.358 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1301588855 KTDUDQWDSNDCJT-HOTGVXAUSA-N 465.542 2.193 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2C[C@@H](C)O[C@H](C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1301595843 BXGIFGSKZYWLAY-TVFCKZIOSA-N 483.635 2.263 30 10 JEEE CC(C)[C@H]1OCCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CC#N)CC1 1303833346 GYSYMIYWVGUBAR-YTQUADARSA-N 452.625 2.470 30 10 JEEE COCCN(CCC#N)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1cccnc1OC 1316101141 HQMUCCPJYQAMBZ-UHFFFAOYSA-N 460.498 2.412 30 10 JEEE CCN1CCN(C(=O)c2ccc(NC(=O)C3CCN(c4oc(C)nc4C#N)CC3)cc2)CC1 1358256834 GNQVTTRZQPXORG-UHFFFAOYSA-N 450.543 2.488 30 10 JEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCNC(=O)OC(C)(C)C 1358939814 GNGPUAFEZZNFKX-UHFFFAOYSA-N 461.592 2.141 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC(C)(C)c1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1358955574 ORLOSMQGQUXAHI-IBGZPJMESA-N 487.626 2.029 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1C[C@](C)(O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1358957087 PHDJOMNQCZWFGT-XAEMIUIASA-N 476.574 2.345 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1c(C)coc1C)[C@@H]1CCS(=O)(=O)C1 1358957151 QICQEDIUXSPKMN-XXBNENTESA-N 476.599 2.204 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1CC(C)(C)CCOC)[C@H]1CCS(=O)(=O)C1 1358965255 QVYBPQOEPTUPNM-SFHVURJKSA-N 465.645 2.323 30 10 JEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1CC1=CCCOC1)[C@@H]1CCS(=O)(=O)C1 1358966603 SBHCXMSXFCTYRR-OAQYLSRUSA-N 470.595 2.045 30 10 JEEE C#CCN(c1nnc(COCC)n1CCOc1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 1358967790 SAKSHMUXPXHUSL-QGZVFWFLSA-N 452.964 2.174 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CC[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)CC1 1359028511 VBAWABWDDBJOJF-VWNXMTODSA-N 477.657 2.472 30 10 JEEE C=CCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCN(C)C(=O)[C@@H]1C 1359218686 RUSKMFJONCCQJY-NRFANRHFSA-N 451.619 2.276 30 10 JEEE C=CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H]1CCOC[C@H]1OC 1359281265 UEMZLVQKQXZFDM-QFBILLFUSA-N 454.531 2.284 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@@](C)(C(=O)NC)C1 1359293910 DDWRXYAJZKVVMT-HXUWFJFHSA-N 479.354 2.111 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCN(C(=O)NCC)CC1 1359294215 OBMMDRDYJDGYIH-INIZCTEOSA-N 471.631 2.285 30 10 JEEE CC(=O)N1CC[C@@H](CN(C)c2nnc(COc3ccc(C#N)cc3)n2CC2=CCCOC2)C1 1359363001 IWWBTERDUZNDHZ-FQEVSTJZSA-N 450.543 2.380 30 10 JEEE C[C@@H](CC#N)NC(=O)CCNS(=O)(=O)c1cc(Br)ccc1Br 1443765632 AEOSGUZEXUCXNA-VIFPVBQESA-N 453.156 2.298 30 10 JEEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCSC2)C1 1502468724 DJEHCZOOLIFSOJ-MJGOQNOKSA-N 460.629 2.478 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC1CCN(CC(F)(F)F)CC1 1507538434 MIHNFPHITMXFAV-RDJZCZTQSA-N 461.554 2.303 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(COC)CCC1 1507662626 LYHVSRWQUFHRGC-UHFFFAOYSA-N 469.611 2.475 30 10 JEEE C#CCSCCn1c(COc2ccc(F)cc2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1507756877 NPFGIURGNGJPQH-UHFFFAOYSA-N 486.617 2.107 30 10 JEEE C=C(Br)Cn1c(Cc2ccncc2)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1507788363 MANHDUQXPVGCIS-QGZVFWFLSA-N 484.420 2.203 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1507801308 UBCAFJIXWLYWEU-XCJLJZCSSA-N 458.607 2.199 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC(NC(=O)CCC)CC1 1507806924 OVKLPZXCADPIRE-FDDCHVKYSA-N 458.607 2.267 30 10 JEEE C=C1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cccc(S(=O)(=O)NC)c2)CC1 1507876325 CAIMVMHZAHTXJA-UHFFFAOYSA-N 467.555 2.038 30 10 JEEE CC(C)(O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1508734875 HMCLXZWQYJDXDF-OAQYLSRUSA-N 468.602 2.438 30 10 JEEE CN(C)S(=O)(=O)c1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)ccc1Cl 1515673865 FKRCZIIWLRKVBS-AWEZNQCLSA-N 456.952 2.175 30 10 JEEE CN(C)C1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCCC[C@@H](S(C)(=O)=O)C2)CCOCC1 1516987279 BVRTYYGYWAFFIF-OAQYLSRUSA-N 486.642 2.331 30 10 JEEE COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC2(S(C)(=O)=O)CC2)cc1Br 1518165095 CGOLSSIIASNTPW-CQSZACIVSA-N 496.387 2.022 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(=O)NC1CCCCC1 1538983654 UYNTURBUZNUABT-KRWDZBQOSA-N 472.615 2.102 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1ccc(OC(C)C)nc1)[C@H]1CCS(=O)(=O)C1 1539225247 MIUNANYTDHYJEP-NRFANRHFSA-N 480.594 2.121 30 10 JEEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1CC(=O)N(C)Cc1ccccc1 1539377589 KSXRLQZDXBAYQP-UHFFFAOYSA-N 450.568 2.388 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H]1CCCS(=O)(=O)C1 1539399974 VYCKMAPWOGMDDP-MRXNPFEDSA-N 468.526 2.457 30 10 JEEE C#CCSCCn1c(CC2CCCC2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1539524794 OISGHWQMKFMXEH-IBGZPJMESA-N 453.678 2.485 30 10 JEEE C=C(Br)Cn1c(-c2ccc(CC)cc2)nnc1N1CCN(CC(=O)NCCOC)CC1 1539587158 WWELZTGNMYQMHK-UHFFFAOYSA-N 491.434 2.301 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)CC(C)(C)CN1CCOCC1 1539613087 ULJXXVROQRSETI-UXHICEINSA-N 462.639 2.192 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](CNC(=O)CCC)C1 1539629394 WVJWKEVNXDQDTK-YXTQBTIXSA-N 458.607 2.343 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1539634262 ADRPNZBPQKBUDY-XJUOHMSHSA-N 488.658 2.353 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N(C)Cc1ncc(Cl)n1C 1540864793 LBPBDVRAHMNSRI-UHFFFAOYSA-N 459.938 2.288 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCN(CC(C)C)C(=O)C1 1540902047 YOQVDFCOWFIMIF-UHFFFAOYSA-N 497.625 2.036 30 10 JEEE CC(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1541403001 FXMHBZSTZHYSGG-YYWHXJBOSA-N 472.615 2.348 30 10 JEEE COCCNC(=O)[C@H]1CN(C(=O)c2ccco2)CCN1c1ccc(C#N)c(C(F)(F)F)c1 1548367984 CGWGXSPYSQUTTR-QGZVFWFLSA-N 450.417 2.264 30 10 JEEE C#CCCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(CC(=O)NC(C)C)CC1 1587755242 VNHFWJNTUMMUFE-UHFFFAOYSA-N 476.585 2.044 30 10 JEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCc2cccs2)CC1 1587765775 JVWIUSVXQFURGQ-LJQANCHMSA-N 461.657 2.410 30 10 JEEE C#CCN(c1nnc(-c2ccc(Br)cc2)n1Cc1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 1588039915 GCWJPDJQLCSWEM-GOSISDBHSA-N 489.399 2.116 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@]1(O)CCSC1 1588259175 TVFBAAVJZAQDAU-IEGUWTFLSA-N 459.616 2.380 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccnc(OC2CCOCC2)c1 1588259301 YWKPRHSHLRAHPM-URXFXBBRSA-N 479.581 2.466 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCS(=O)(=O)CC2CC2)CC1 1588751850 OIPKGHPXKWSVBE-SFHVURJKSA-N 475.590 2.137 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@@H](c2ccc(C)cc2)N(C)C)CC1 1588923525 CHDKXLOFNPENPH-QHCPKHFHSA-N 472.597 2.312 30 10 JEEE C=CCCOCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1594789176 ZHYSZIFIALPMOT-CTNGQTDRSA-N 488.658 2.461 30 10 JEEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1595405253 GOWBQRUOKDGWIF-UYAOXDASSA-N 476.622 2.462 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(C)CCc1ccc(Br)cc1 1595529595 AGCIGDIOPHAUFF-UHFFFAOYSA-N 458.364 2.422 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@H](C)[C@@H]2C)cc1 1595613308 BZCWFFXNWUKGIA-WFXMLNOXSA-N 475.615 2.459 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 1595797113 DTKZAIJLQFFMQR-QZTJIDSGSA-N 483.635 2.124 30 10 JEEE C[C@H](C#N)CN(C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1596830459 AZYCNFHVQGTQIV-NVXWUHKLSA-N 450.996 2.400 30 10 JEEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCNS(=O)(=O)Cc2ccon2)C[C@H]1C 1612917071 IAAOIQHGBCJHKQ-HZPDHXFCSA-N 455.544 2.017 30 10 JEEE CN1CCCC(C)(C)[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)CC1 1618473345 AATDJOZLNHIVGE-FQEVSTJZSA-N 456.616 2.418 30 10 JEEE N#C[C@@H]1CN(c2nnc(-c3ccc(F)cc3Br)n2C[C@H]2CCCS(=O)(=O)C2)CCO1 1620354292 BFIGYOBNIQNVIH-UKRRQHHQSA-N 498.378 2.400 30 10 JEEE N#C[C@@H]1CN(c2nnc(Cc3ccccn3)n2Cc2ccc(OCC(F)(F)F)nc2)CCO1 1620354760 CKEUHAZZIPOMTO-QGZVFWFLSA-N 459.432 2.377 30 10 JEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc([C@@]2(C)NC(=O)NC2=O)c1 1626461430 ARPAOYYVPSWWMY-QVKFZJNVSA-N 450.923 2.393 30 10 JEEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2CCN(c3ccccc3Br)C2=O)n1 1626715413 ZPZCZIXPWDGGOO-KRWDZBQOSA-N 459.344 2.307 30 10 JEEE COc1ccc(Cn2cc(C(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)cn2)cc1OC 1635701010 HTTAEHXSNUIHGH-NRFANRHFSA-N 459.506 2.351 30 10 JEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1689930032 JOKDGNHFMMQSGP-ZWKOTPCHSA-N 465.620 2.287 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CC(C)(C)C(=O)NCC)[C@@H]1CCS(=O)(=O)C1 1689983383 AJNHBUPFNYGKKB-GOSISDBHSA-N 478.018 2.388 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1Cc1ccc(C(=O)NCC)cc1)[C@@H]1CCS(=O)(=O)C1 1689993574 HDHDGURLTINGNF-OAQYLSRUSA-N 497.646 2.355 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)cc1SC 1690047433 QTPJBQPYFNTXBT-HXUWFJFHSA-N 487.651 2.153 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)ccc3C)n2CCCN2CCOCC2)CC1 1690152796 XVRINQPIVYDJCQ-UHFFFAOYSA-N 494.640 2.162 30 10 JEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1690180966 NXIRFDQZYVASIW-SFHVURJKSA-N 476.647 2.460 30 10 JEEE C=CCC(C)(C)Cn1c(-c2noc3c2COCC3)nnc1N1CCCN(S(C)(=O)=O)CC1 1690428148 GEHPQLGROKIEKY-UHFFFAOYSA-N 464.592 2.080 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC(N(C)C(C)=O)CC1 1690660609 LDGZTJCUKVZPML-MRXNPFEDSA-N 458.538 2.307 30 10 JEEE CC(C)(C)NC(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1691206314 BYWRSXHMEWKWIS-NRFANRHFSA-N 492.628 2.118 30 10 JEEE N#C[C@@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCOc2ccc(F)c(Cl)c2)C1 1698483615 GQYYWXJTPUWBCV-YJYMSZOUSA-N 471.917 2.494 30 10 JEEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1705499942 CGWWJBTZSJSKOW-IRXDYDNUSA-N 479.614 2.228 30 10 JEEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CCc1cc(C)cc(C)c1)[C@H]1CCS(=O)(=O)C1 1705561511 QRIOYJWCKJJDAI-WIOPSUGQSA-N 486.638 2.416 30 10 JEEE C#CCN(CC#CC)c1nnc(COc2ccc(Br)cc2)n1Cc1cn(C2COC2)nn1 1705601171 AICWNLZBEIUCHQ-UHFFFAOYSA-N 496.369 2.294 30 10 JEEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1(C)CCOCC1 1705628243 BAAMAASZPNXFFX-UHFFFAOYSA-N 453.591 2.355 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CC[C@@H](OC)C(F)(F)F)CC1 1705637271 PISXYLUWTJKZSE-LJQANCHMSA-N 465.476 2.439 30 10 JEEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1705735283 NBIUDQHUZWNZTO-FQEVSTJZSA-N 471.606 2.145 30 10 JEEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCSC2(CCCCC2)C1 1705829974 HIBYGBOXFDGYRN-LJQANCHMSA-N 499.703 2.460 30 10 JEEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@]1(O)CCC[C@@H]1C 1705883462 JADGWCDQOFSQOZ-XDHUDOTRSA-N 452.559 2.382 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1705896465 NQQXAEKXWUVWEX-GJZGRUSLSA-N 495.447 2.228 30 10 JEEE C=CCOc1ccc(Cn2c(N3CCN(C)C(=O)C3)nnc2[C@]2(OC(C)C)CCOC2)cc1 1705910438 BVMIAXOSMQVIFT-DEOSSOPVSA-N 455.559 2.210 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1705937032 GJVKOLBISPVMAJ-UHFFFAOYSA-N 465.645 2.226 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1cccc(Cn2cccn2)c1 1706878421 GBWHUKZJIDXSEV-WZONZLPQSA-N 482.614 2.311 30 10 JEEE CCO[C@]1(c2nnc(N(C)C[C@@H](C)C#N)n2Cc2cccc(N3CCOCC3)c2)CCOC1 1710422691 AODDJCSFVYKBNB-YADARESESA-N 454.575 2.411 30 10 JEEE CCOc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1CC1(S(C)(=O)=O)CCCC1 1710568500 FEMWACVSYSBMCN-SFHVURJKSA-N 489.598 2.342 30 10 JEEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1722320561 BRGKQIXUAKJEKH-UHFFFAOYSA-N 477.594 2.431 30 10 JEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 1722324493 SLAPNCVAHACQRV-CRAIPNDOSA-N 483.541 2.481 30 10 JEEE C#CCN(c1nnc(-c2ccccc2)n1Cc1nccc(C(F)F)n1)[C@@H]1CCS(=O)(=O)C1 1722361966 LDPGICIRTCPFGT-MRXNPFEDSA-N 458.494 2.348 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1CCN1CCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1722362428 NNACDCHJFXISBI-UYAOXDASSA-N 487.626 2.073 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@H](C)c1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1722365506 MKZPDIMHVOTBOX-JXFKEZNVSA-N 468.583 2.299 30 10 JEEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCNC(=O)C(C)C 1722384009 SJYGDEIJGIVTJB-UHFFFAOYSA-N 456.591 2.238 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@@](C)(O)C(C)C)CC1 1722433490 WYMGSAADWKXQDL-XMMPIXPASA-N 457.575 2.133 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCCCCN2CCCCC2)CC1 1722445937 GGBCRAQCRJHVIM-UHFFFAOYSA-N 466.634 2.301 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)N2CCCC2)CC1 1722493341 HHKDKOFKFASRNB-PMACEKPBSA-N 458.607 2.236 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1722517495 KZYDPYKNLWVJOF-OAQYLSRUSA-N 487.674 2.168 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nccs1 1722658118 FMHUFJFGZOSICJ-GOSISDBHSA-N 474.612 2.308 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC2(CCN(C)C2=O)CC1)C(C)C 1722664671 FINSKIIISBXQPC-NHCUHLMSSA-N 483.661 2.377 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC(C(=O)NC)CC1 1722694486 WYMSSIKKCYJWRI-HNNXBMFYSA-N 456.616 2.396 30 10 JEEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCN(C(=O)c2ccsc2)CC1 1722701186 IXZJTDMYSXPUMN-UHFFFAOYSA-N 480.594 2.226 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC(CCCO)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1722703739 GHEYJJBLKGGNCJ-KDURUIRLSA-N 476.622 2.340 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1722724786 GAMSEUAWYPIXLI-FQEVSTJZSA-N 466.696 2.387 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(c2nc(C)cs2)CC1 1722725792 SDESYRLDIVWLNN-UHFFFAOYSA-N 459.601 2.032 30 10 JEEE COCC1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2cccc(C#N)c2)CCOCC1 1730514671 GSJVZTOVSWJWCX-FQEVSTJZSA-N 473.599 2.131 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2CCNC(=O)OC(C)(C)C)c1 1740561820 CMTQQFPUVXEBDW-UHFFFAOYSA-N 476.541 2.316 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCc1cccc(C(=O)NC)c1)[C@H]1CCS(=O)(=O)C1 1740618798 KIYSFWJSLAJAMM-FQEVSTJZSA-N 481.578 2.076 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1CCN1CCOC(C)(C)C1 1740680810 OJQMMHZSSDXKDM-UHFFFAOYSA-N 479.423 2.243 30 10 JEEE C#CCN1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC2([S@](C)=O)CC2)CC1 1740696043 KXDKTORXAAGYDJ-UMSFTDKQSA-N 490.674 2.059 30 10 JEEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(CCO)Cc1ccc(F)c(Br)c1 1740777471 DANRQDIDCJNQIN-CYBMUJFWSA-N 490.399 2.365 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c(C)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1)C(C)C 1740924091 GECLYFMEEWQSMY-AGILITTLSA-N 457.667 2.274 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1740969908 XMYQVQBREPBXKJ-RBUKOAKNSA-N 473.599 2.246 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@H](C)O[C@H](CC)C1 1740985957 ONYMHGAJFWDTER-QFBILLFUSA-N 496.033 2.466 30 10 JEEE CCO[C@@H](CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1)C(C)C 1746638002 AITLFUFMAOEJSB-FPOVZHCZSA-N 467.574 2.394 30 10 JEEE CCOc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@H]2CC(=O)N(CCOC)C2)cc1OC 1746788636 FRJKERYGDRJCID-BXKMTCNYSA-N 486.548 2.289 30 10 JEEE CCOc1ccnc(N2CCN(c3nnc(-c4ccc(C#N)cc4)n3C[C@@H](C)N(C)C)CC2)n1 1746891992 AAZDGXYLPQGTHF-GOSISDBHSA-N 461.574 2.282 30 10 JEEE COc1c(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@H](C)CC#N)oc2ccccc12 1748506994 FUFJNHMAPPKZAH-DNVCBOLYSA-N 488.570 2.152 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H](C)c1ccc(OC)cc1 1748672171 QVORXHRSBMCZMQ-WFXMLNOXSA-N 475.615 2.271 30 10 JEEE C#CCN(c1nnc(-c2cccc3cccnc23)n1CC(C)(C)C(=O)NCC)[C@H]1CCS(=O)(=O)C1 1748810241 UUYKOZZVKAIGIY-IBGZPJMESA-N 494.621 2.282 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1CCOc1ccc(F)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1748818133 WDFPGZKXKBRXEI-MRXNPFEDSA-N 452.527 2.461 30 10 JEEE C#CCN(c1nnc([C@@H]2COc3ccccc3O2)n1CCOCCC=C)[C@H]1CCS(=O)(=O)C1 1748818362 ZEIPZCCOLGAZNZ-RXVVDRJESA-N 472.567 2.010 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccc(OC)cc2)n1Cc1ccc(N2CCOCC2)nc1 1748860003 QFCKNYBHIIBIGX-UHFFFAOYSA-N 472.549 2.218 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCN1CCC[C@@H]1C 1748881490 FUTPFCJIAXEDBJ-FQEVSTJZSA-N 468.627 2.143 30 10 JEEE C#CCN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CCc1ccc(S(C)(=O)=O)cc1 1748912714 HKOZERPPMVSJLG-QHCPKHFHSA-N 460.600 2.424 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC2CC2)n1 1748971407 OEHKMTUIWYNOKZ-NRFANRHFSA-N 499.616 2.479 30 10 JEEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](CC)Oc2ccccc2F)CC1 1748995183 ZEOPLJKLLYANSB-LJQANCHMSA-N 454.550 2.152 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](CC)c3ccccc3)n2CCC(=O)N2CCOCC2)CC1 1749004399 IGCJENPGQPXUAC-HSZRJFAPSA-N 492.624 2.035 30 10 JEEE C=C(Br)Cn1c(-c2noc3c2COCC3)nnc1N1CCN(CCOC)[C@@H](C)C1 1749098160 QVQGOMFTPQEQKA-AWEZNQCLSA-N 467.368 2.071 30 10 JEEE C=C(Cl)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1749261541 VBYARGWKSCQBOK-KRWDZBQOSA-N 482.990 2.499 30 10 JEEE C=C1CCN(c2nnc(CCN3CCN(c4ccccc4)CC3)n2CC(=O)NCC(F)(F)F)CC1 1749310069 UWBFEYZQUXOSIF-UHFFFAOYSA-N 491.562 2.478 30 10 JEEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1749352321 LFIYEBLXLZHNMN-PZJWPPBQSA-N 471.650 2.105 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CC[C@@]2(CCC(=O)N2)C1)C(C)C 1749557062 GEVSXQQWSZWPKA-YKSBVNFPSA-N 452.607 2.236 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)[C@H](C)c1ccc([S@](C)=O)cc1 1749721932 WZEDUZBSZZBTOG-IAQAZVPISA-N 493.655 2.050 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@](C)(O)c1cc(C)oc1C)[C@@H]1CCS(=O)(=O)C1 1760186312 BNTRAHNLVBXPTQ-QMHWCDLVSA-N 476.599 2.264 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@](C)(O)c1ccsc1)[C@H]1CCS(=O)(=O)C1 1760190349 PFWJYSCOEGCUDF-RXVVDRJESA-N 491.664 2.230 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC=C)n1 1760252236 LNDAZIFLXUSQFD-FQEVSTJZSA-N 485.589 2.255 30 10 JEEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@]2(CCOC2)C1 1760275736 GZVPVBKSFTYLHK-QFIPXVFZSA-N 475.640 2.179 30 10 JEEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1760310239 XRTCDAOZDWBAJE-UHFFFAOYSA-N 489.465 2.403 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1760322906 ZAONLJMDYAXCGH-WAPOTWQKSA-N 451.637 2.080 30 10 JEEE C=C(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1760341171 FGIDCUZELOTQSC-GOSISDBHSA-N 485.976 2.204 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCCN(Cc2noc(C)n2)CC1 1760516448 NMOHUTHJONSPOZ-QGZVFWFLSA-N 498.563 2.263 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(c2ccc(F)cn2)CC1 1760517088 BTMYFEQFYVXJSC-UHFFFAOYSA-N 451.506 2.117 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N(C)CCN1CCN(c2ccccc2)CC1 1760524043 ODFUPJAHGQEZPT-JOCHJYFZSA-N 467.618 2.080 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1760557040 YESTYHRGCPJWSE-UHFFFAOYSA-N 498.696 2.469 30 10 JEEE CNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCO[C@@H](C)C2)CC1 1767837972 FLERIKOFTAEUNI-HKUYNNGSSA-N 453.547 2.005 30 10 JEEE COc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@](C)(C#N)C2)c(OC)c1 1768671174 FJPRBNYBVOLYMG-HTAPYJJXSA-N 459.572 2.376 30 10 JEEE C=CCN(CC=C)C(=O)[C@@H](Cc1ccc(OC(C)=O)cc1)NC(=O)[C@@H]1CC(=O)N(C(C)C)C1 1862187805 WVNZXVHGXBWTIC-IFMALSPDSA-N 455.555 2.097 30 10 JEEE O=C(C1=C(O)C(=O)N(CCN2CCOCC2)[C@H]1c1cccc(O)c1)c1cccc([N+](=O)[O-])c1 1862736438 YDFPUIKNSYBMHT-FQEVSTJZSA-N 453.451 2.211 30 10 JEEE CCCC[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(CC(=O)O)C2=O)C(=O)N[C@H](C#N)c1ccc(C)cc1 1867648560 FPOFGGYMNHIJOH-NHCUHLMSSA-N 490.516 2.345 30 10 JEEE CCC[C@H](NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1)C(=O)N1CCC(C(N)=O)CC1 1868795025 HYSZPTBDMZVBIH-OALUTQOASA-N 459.616 2.034 30 10 JEEE O=C([C@@H](N=C1NS(=O)(=O)c2ccccc21)c1ccccc1)N1CCN(c2ccccn2)CC1 1869930293 WMNWPGUXJPREMJ-QFIPXVFZSA-N 461.547 2.210 30 10 JEEE C=CCn1cc(OCC(=O)Nc2cccc3ccccc23)c(=O)cc1CN1CCN(CCO)CC1 1870700687 MGQPBSOHCUEASX-UHFFFAOYSA-N 476.577 2.315 30 10 JEEE C=CCn1cc(OCC(=O)Nc2ccccc2F)c(=O)cc1CN1CCN(c2ncccn2)CC1 1870755890 YYPODXIHBSFWBM-UHFFFAOYSA-N 478.528 2.303 30 10 JEEE CCCCCCCCN=c1nc(Nc2ccc(S(N)(=O)=O)cc2)[nH]c(N2CCN(C)CC2)n1 1871509902 MNKNVPFACNXWTK-UHFFFAOYSA-N 476.651 2.209 30 10 JEEE C=CCn1c(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc2c(NCCOC)ncnc21 1875226848 SRIGEOKCJUUIBJ-UHFFFAOYSA-N 478.553 2.362 30 10 JEEE CC(C)(C)OC(=O)N1CC(O)([C@H](F)C(=O)N2CC[C@@H]3C[C@]3(B3OC(C)(C)C(C)(C)O3)C2)C1 1879729896 HGYFEGGZZZALKK-PZPWOCDFSA-N 454.348 2.391 30 10 JEEE CCN1CCN(CC#CCOC2CCN(C(=O)c3cn(-c4ccc(C)c(C)c4)nn3)CC2)CC1 1889595331 UKCFQDZXNACEQC-UHFFFAOYSA-N 464.614 2.146 30 10 JEEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)NCc3cccc(S(=O)(=O)N4CCOCC4)c3)n[nH]2)c1C 1892319715 WPPYLJPCGYQHQK-UHFFFAOYSA-N 498.609 2.417 30 10 JEEE CO[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2187895705 RLVAVVCBDBJOAT-JKSUJKDBSA-N 462.356 2.129 30 10 JEEE C[C@H](C(=O)NCc1cccc(B2OC(C)(C)C(C)(C)O2)c1)N1CC(NC(=O)OC(C)(C)C)C1 2188298190 IXXZWNGBPRSKSM-MRXNPFEDSA-N 459.396 2.199 30 10 JEEE Cc1nc(C(=O)N2CCOCCN2C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2255810567 LQKRSXPLHMKFNK-UHFFFAOYSA-N 453.370 2.375 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1S(=O)(=O)NCCONC(=O)OC(C)(C)C 2255932974 IQOQJQJCCWDYBW-UHFFFAOYSA-N 456.370 2.029 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1COCC[C@@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2256637785 ZOKZXHMRCWQYHB-STQMWFEESA-N 453.370 2.311 30 10 JEEE CC(C)(C)OC(=O)NC[C@@]1(O)CCCN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)C1 2258472476 HZHILXHPHPYALG-ZHRRBRCNSA-N 454.568 2.452 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@](Oc2nccc(B3OC(C)(C)C(C)(C)O3)c2F)(C(=O)O)C1 2266003448 QUVHIKHEMNQNSZ-NRFANRHFSA-N 452.288 2.363 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C[C@H]1O 2267284011 WQWDVPGJXOHJHM-RBSFLKMASA-N 466.409 2.441 30 10 JEEE CC(C)(C)OC(=O)NCC1(NC(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)CCOCC1 2267291369 PFEALNQJXKKCHS-UHFFFAOYSA-N 450.341 2.383 30 10 JEEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N(Cc1ccccc1)CC1CCCC1 2267417499 XMXLUZSVRSMKEQ-UHFFFAOYSA-N 460.409 2.495 30 10 JEEE CN(C[C@H]1CN(C(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)CCO1)C(=O)OC(C)(C)C 2267483191 OYNKDTWKGLXKIU-INIZCTEOSA-N 450.341 2.287 30 10 JEEE CC(C)(C)OC(=O)NCC1(NC(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)CCOCC1 2267488058 SZUGSPVMHUGMCF-UHFFFAOYSA-N 467.397 2.246 30 10 JEEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@]1(C)CCCN(C(=O)OCc2ccccc2)C1 2267606529 ZALQZNSRXGLDEW-XMMPIXPASA-N 483.378 2.035 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2268634931 LUHQKRSZIQTOIB-HUUCEWRRSA-N 451.304 2.141 30 10 JEEE C[C@@H]1C[C@@H](C)[C@@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)N(C(=O)OC(C)(C)C)C1 2268725407 VRVTYKOFMBRBKB-MCIONIFRSA-N 466.413 2.479 30 10 JEEE COC(=O)C1(NC(=O)OC(C)(C)C)CC(NC(=O)c2csc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282201151 QVWIMLCMLKPXIF-UHFFFAOYSA-N 480.392 2.376 30 10 JEEE C[C@H](CCCN(C)C(=O)OC(C)(C)C)NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282339141 WBBHQHFWQIBGCS-OAHLLOKOSA-N 486.444 2.033 30 10 JEEE C[C@@H](C1CN(C(=O)OC(C)(C)C)C1)N(C)S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282354009 KZAJPMPQBFQVFI-HNNXBMFYSA-N 481.424 2.257 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2F)C1 2282398092 WGQXUVRLUGXSPA-WMLDXEAASA-N 464.343 2.083 30 10 JEEE Cn1cc(C(=O)N2C[C@@H]3CN(Cc4ccccc4)C[C@@]3(C)C2)nc1B1OC(C)(C)C(C)(C)O1 2282546083 KUFCLSPBVFLVOT-DFBJGRDBSA-N 450.392 2.313 30 10 JEEE Cc1ccnc(C(=O)NC[C@H]2COCCN2C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2282575060 XVFVACHLKQBBNC-INIZCTEOSA-N 461.368 2.055 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCCN(C(=O)OC(C)(C)C)C[C@@H]1C 2282589001 XZPRYVMVDPIZCJ-HNNXBMFYSA-N 462.400 2.499 30 10 JEEE Cn1nc(C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)CC23CC3)cc1B1OC(C)(C)C(C)(C)O1 2282620087 ZYVKBIPZVINFBD-OAHLLOKOSA-N 460.384 2.381 30 10 JEEE CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1CNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2282686305 QVMKGXTUSGCRMX-ZDUSSCGKSA-N 468.310 2.150 30 10 JEEE C[C@H]1C[C@@H](NC(=O)C(F)(F)F)CCN1S(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2282854100 NHSMZSBCYQQXCK-ZFWWWQNUSA-N 476.326 2.206 30 10 JEEE C[C@H]1CN(S(=O)(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)CC[C@H]1NC(=O)C(F)(F)F 2282868562 PBWUMVZICHYHKF-DZGCQCFKSA-N 476.326 2.063 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)c3nccnc3B3OC(C)(C)C(C)(C)O3)CC[C@H]2C1 2283067057 ARYXKJJRYANADT-HOTGVXAUSA-N 458.368 2.105 30 10 JEEE CC(C)(C)OC(=O)N1CCC(OCC(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)CC1 2283960486 YMMCIGNSIZTCGR-UHFFFAOYSA-N 481.424 2.475 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](O)C[C@@H]1C(=O)NCc1ccccc1B1OC(C)(C)C(C)(C)O1 2283985989 NVHPVSFPUWLBKP-IEBWSBKVSA-N 460.380 2.362 30 10 JEEE Cc1cc(CNC(=O)[C@H](CCC(N)=O)NC(=O)OC(C)(C)C)sc1B1OC(C)(C)C(C)(C)O1 2284051842 BCDVZOLYNIOCTL-HNNXBMFYSA-N 481.424 2.131 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H](CO)C(=O)N1CCc2c(cccc2B2OC(C)(C)C(C)(C)O2)C1 2284060796 ROIHSIRCGLYANQ-KRWDZBQOSA-N 460.380 2.004 30 10 JEEE Cn1nc(C(=O)N[C@H](COCc2ccccc2)CC(=O)O)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2284452357 FWRJHNBHFYCJEZ-HNNXBMFYSA-N 477.754 2.163 30 10 JEEE Cn1nc(C(=O)N2C[C@@H]3C[C@]3(CNC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2288265565 WSJLYQBPMXXWKN-XMHCIUCPSA-N 480.802 2.360 30 10 JEEE CN1C[C@@H](C(=O)N2CC[C@@H]3C[C@]3(B3OC(C)(C)C(C)(C)O3)C2)N(C(=O)OC(C)(C)C)CC1=O 2357337098 DFYWKVGLCQECEE-SYJLOODJSA-N 463.384 2.149 30 10 JEEE Cn1cnc(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 2362449888 ZWKGFWYNVSYLRI-VGWMRTNUSA-N 460.384 2.141 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)O)N(C(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C1 2362496692 MZRLSPAZYPERNO-GXTWGEPZSA-N 481.380 2.025 30 10 JEEE COc1cc(/C=N/Nc2nnc(SCC(=O)NC3CCCCC3)n2N)cc(OC)c1OC 20920309 LSFMFTKRHMJDDN-SSDVNMTOSA-N 463.564 2.005 30 10 JEEE CCOC(=O)CCc1c(C)nc2ncnn2c1N1CCN(C(=O)Nc2ccc(C#N)cc2)CC1 23428301 VSUXDLYPYNKBEN-UHFFFAOYSA-N 462.514 2.154 30 10 JEEE O=C1/C(=N\Nc2ccc3cc(S(=O)(=O)O)ccc3c2)C=C(S(=O)(=O)O)c2cccnc21 33838224 BIQBDHSYQMHHPU-JWGURIENSA-N 459.461 2.375 30 10 JEEE in-vivo COc1ccc(N2CCN(CC(=O)N[C@H]3CC[C@H](Oc4nccnc4C#N)CC3)C2=O)cc1 238871869 NCKJXVRXYBLYSW-RUCARUNLSA-N 450.499 2.105 30 10 JEEE C=CCN(CC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1)Cc1cccc([N+](=O)[O-])c1 519872798 OVWLPWKUMTXAJG-UHFFFAOYSA-N 476.530 2.255 30 10 JEEE COC(=O)c1ccc(C=NNc2nnc(SCC(=O)Nc3ccc(N(C)C)cc3)n2N)cc1 1084459606 GGDYXKCWWUJWBV-UHFFFAOYSA-N 468.543 2.021 30 10 JEEE Nn1c(NN=Cc2c[nH]c3ccccc23)nnc1SCC(=O)Nc1ccc2c(c1)OCCO2 1084623153 AUKMHYSGKDDXJS-UHFFFAOYSA-N 464.511 2.421 30 10 JEEE COc1ccc(S(=O)(=O)C[C@@H](C)C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cc1 1126947715 AMNXTPQWBKDVAW-CVEARBPZSA-N 451.545 2.076 30 10 JEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 1136745240 QRIWXFFFOPVRHV-NHCUHLMSSA-N 454.571 2.243 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3CC)n2C[C@]2(C)COCCO2)CC1 1286491807 CEANIBMNDURHTN-AREMUKBSSA-N 481.597 2.191 30 10 JEEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 1286600729 DEYKZWFZGWZIEJ-UHFFFAOYSA-N 460.554 2.483 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC(Oc3cccc(C#N)c3)CC2)nnc1[C@]1(OCC)CCOC1 1286792852 KEDGZWCSPMVVBJ-VWLOTQADSA-N 480.569 2.152 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(C(N)=O)CCOCC1 1286966699 BBAQPGQHBRRPRG-MSOLQXFVSA-N 489.621 2.271 30 10 JEEE C#CCN(c1nnc(C(C)C)n1CCc1ccc(OC)c(OC)c1OC)[C@@H]1CCS(=O)(=O)C1 1300485434 WGWSJQOZFJZKJM-GOSISDBHSA-N 476.599 2.297 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCN1Cc1ccccc1 1300556585 JIIZHVVLRDYXDM-UNMCSNQZSA-N 468.627 2.016 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@]1(C)COCCO1 1300665800 OEKPQNNTOMOQGY-NTKDMRAZSA-N 477.606 2.284 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2CCCN2C[C@@H](C)O[C@H](C)C2)CC1 1300701400 RHVOYVGIENQQQQ-NHCUHLMSSA-N 454.594 2.263 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccncc2Cl)CC1 1300707798 KCJCCWFNDQRUDW-UHFFFAOYSA-N 455.975 2.122 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2ccc(OC)cc2C1 1300871318 BGLJVHXRRJZALQ-MMOPVJDHSA-N 475.615 2.441 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCc1nccs1 1301151747 QGTGREBPIMZZRM-INIZCTEOSA-N 468.649 2.349 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1ccccc1N1CCCC1 1301477610 CQBGAVCQZZOPLE-UHFFFAOYSA-N 474.569 2.464 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC(NC(=O)Nc2ccccc2)CC1 1301506702 PAWUREPEHBKCLF-UHFFFAOYSA-N 474.569 2.357 30 10 JEEE C=CCSCCn1c([C@@H](C)CC)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1301595297 RXAYEDSZIYCKPJ-ROUUACIJSA-N 457.666 2.342 30 10 JEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H]1CCCc2c1cnn2C 1301611322 BIJMVHXTGYIKEO-RDJZCZTQSA-N 450.634 2.347 30 10 JEEE C=CCCCCCCNC(=O)N1CC(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 1312665831 PWHABOHPCMXHJJ-UHFFFAOYSA-N 458.625 2.399 30 10 JEEE CCS(=O)(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2snnc2C)CC1 1314504381 GEYQPRIAWQBJID-UHFFFAOYSA-N 457.585 2.429 30 10 JEEE C#CCCCn1c(COCC)nnc1N1C[C@H](NC(=O)OC(C)(C)C)C2(CCS(=O)(=O)CC2)C1 1358935373 GKHRZMAHGLWJNH-SFHVURJKSA-N 495.646 2.136 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H]1CCCOC1)[C@@H]1CCS(=O)(=O)C1 1358957907 CLGQXKZIFXRMOZ-IEBWSBKVSA-N 474.583 2.016 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Br)n1Cc1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 1358959227 FCMMZWQQIXQQGK-MRXNPFEDSA-N 489.399 2.116 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1Cc1cccs1)[C@H]1CCS(=O)(=O)C1 1358965971 FNHKTNQNAMMQQV-SFHVURJKSA-N 467.576 2.465 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCC(=O)N[C@@H](C)CC)CC1 1359045414 GINWXUQKQGUQJL-PGRDOPGGSA-N 494.596 2.061 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2CC(C)(C)CN(C)C)CC1 1359046468 SPWSXOXCWKKEPB-UHFFFAOYSA-N 466.630 2.431 30 10 JEEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1359089236 FFOPFCIKKOXHOK-IKGGRYGDSA-N 456.385 2.215 30 10 JEEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cc(F)cc(F)c1 1359133578 VKQBZUCVGNVGQB-LJQANCHMSA-N 485.557 2.118 30 10 JEEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@H](C)c2nccs2)CC1 1359216062 OCLHGDPDCFBQMY-IAGOWNOFSA-N 450.634 2.486 30 10 JEEE C=CCN(CC=C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1(S(C)(=O)=O)CC1 1359270105 BNWHQRBSUKYPOM-UHFFFAOYSA-N 468.583 2.431 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(Cc2cscn2)CC1 1359296296 DTKYPQJWWFKMMG-UHFFFAOYSA-N 483.598 2.043 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@](C)(O)c2ccccc2Cl)C1 1359313500 NKBFHGFSBUCFDN-WHSLLNHNSA-N 484.022 2.231 30 10 JEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1[C@@H](C)CN(Cc2ccccc2)C[C@H]1C 1445511948 FYSBCTQIJCWALI-QPXQOZNCSA-N 454.596 2.498 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)N3CCO[C@H](c4ccc(S(C)(=O)=O)cc4)C3)cc2C1=O 1454010564 CNUVDOHFSFKPTG-FQEVSTJZSA-N 454.504 2.086 30 10 JEEE C#CCNC(=O)CN1CCN(C(=O)c2cc(COc3c(Cl)cccc3Cl)on2)CC1 1467815215 VFQUYIJGINHTAF-UHFFFAOYSA-N 451.310 2.068 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1507520852 HHLAQOKWVUUFCJ-QFBILLFUSA-N 499.559 2.460 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN(C(=O)OC(C)(C)C)C1CC1 1507539302 UKNARSHDRDVWRV-HZPDHXFCSA-N 451.593 2.038 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2C[C@]2(C)COCCO2)c1 1507550316 IYPSWQUQKBXGCQ-NTKDMRAZSA-N 453.543 2.034 30 10 JEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CC2CCCCC2)CC1 1507557381 PZUOIMVQSYSOKN-LJQANCHMSA-N 450.653 2.394 30 10 JEEE C#CCCCCn1c(CC2CC2)nnc1N1C[C@@H]2[C@@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1507566176 HEAWIUNXIRVQES-QYZOEREBSA-N 477.631 2.161 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H](C)c1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 1507622676 KKZFQIBXCVEYMA-ICSRJNTNSA-N 457.600 2.155 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1ccc(OC)cc1F)[C@H]1CCS(=O)(=O)C1 1507630224 UYLSLCZAVVWMAL-KRWDZBQOSA-N 455.515 2.163 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H](C)N2CCC[C@@H](C)C2)CC1 1507717980 KBNLRTILPNVNJE-NHCUHLMSSA-N 484.670 2.224 30 10 JEEE C=C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC1 1507881621 SKNUNTLNEKJBHP-YLJYHZDGSA-N 459.513 2.350 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1CCN1CCSCC1 1508000419 WESJVGNZHCXRGY-FQEVSTJZSA-N 451.600 2.342 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1508092959 SFILEKLRYFTPEC-LJQANCHMSA-N 495.584 2.477 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2CC)nnc1N1CCO[C@]2(CCOC2)C1 1508148452 HSXQBYIKAUTCSL-HSZRJFAPSA-N 476.599 2.016 30 10 JEEE CNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cc(Br)cn2)CC1 1517607288 HNWPHLVXPIGGOZ-UHFFFAOYSA-N 498.389 2.327 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2C[C@H]2CCO[C@@H](C)C2)c1 1539046056 LUCLORYKTKFJDY-ICSRJNTNSA-N 464.570 2.272 30 10 JEEE C#CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCCS(C)(=O)=O 1539071523 VQOKIRLJRZFNMP-SFHVURJKSA-N 483.635 2.261 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1CC1(COC)CCOCC1)[C@H]1CCS(=O)(=O)C1 1539229205 ACMXLXLZTRNECJ-QFIPXVFZSA-N 486.638 2.133 30 10 JEEE C#CCN(c1nnc(COCC)n1CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1 1539231705 VNDRWWFYSDFABZ-OALUTQOASA-N 495.646 2.088 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H]1CN(CC(C)C)CCO1 1539251569 JHFMRAKCHIYONR-NRFANRHFSA-N 451.571 2.392 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1nccn1C(F)F 1539409121 OVZFSBBTGCVPGA-UHFFFAOYSA-N 482.495 2.401 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)c1ccc([S@](C)=O)cc1 1539705442 TXPGHOVQVMVETQ-ILFXKMIGSA-N 481.644 2.122 30 10 JEEE C=C(C)COCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1539722453 NROAJVCATQFACD-UHFFFAOYSA-N 463.627 2.419 30 10 JEEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1539966420 JFRVGFJLPFMEEQ-GOSISDBHSA-N 452.625 2.120 30 10 JEEE C=CCn1c(C(=O)NC(CC)CC)nnc1N1CCN(Cc2ccc3c(c2)OCCO3)CC1 1540853474 OQXLPHPHAWLLLJ-UHFFFAOYSA-N 454.575 2.476 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1nc(C(F)(F)F)cs1 1540862103 RAGWLQFTYSVJRJ-UHFFFAOYSA-N 480.476 2.339 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1540867140 MBQNGGHHCYDFSX-AEFFLSMTSA-N 498.584 2.368 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1540874294 AZRBDBGYVFZSQK-LEWJYISDSA-N 455.559 2.160 30 10 JEEE CC(C)(C)OC(=O)NCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1541218738 DPOYWVXCMFCKBM-OALUTQOASA-N 481.557 2.203 30 10 JEEE N#C[C@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H]2CCCCS2(=O)=O)CCO1 1555994409 HWXYVABZWKLUKW-ZWKOTPCHSA-N 465.963 2.207 30 10 JEEE C#CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@](C)(C(=O)NC)C1 1587770109 SSTDLXCGGHNCOQ-KOSHJBKYSA-N 474.606 2.352 30 10 JEEE C#CCCCn1c(CC(C)C)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1587862587 WWVIFBZGPLKKBO-KURKYZTESA-N 465.620 2.017 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCCN1CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1588053927 IXEPQUUFFQLGEL-VSKRKVRLSA-N 477.675 2.311 30 10 JEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1Cc1cnn(CC)c1)[C@@H]1CCS(=O)(=O)C1 1588059089 JCSUETKCPVIJLK-HXUWFJFHSA-N 473.002 2.414 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@H](C)Oc1ccccc1)[C@H]1CCS(=O)(=O)C1 1588064448 IGSYHMWUHZLUCP-FPOVZHCZSA-N 465.579 2.358 30 10 JEEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1CCc1cccs1)[C@@H]1CCS(=O)(=O)C1 1588068980 DILRTENEEHZFDV-MRXNPFEDSA-N 489.648 2.201 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)cn3C)n2Cc2cnn(CC)c2)CC1 1588892137 XWAZCUJYMGJARU-UHFFFAOYSA-N 499.417 2.277 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCC[C@H](C)C2)CC1 1588962299 ZANWOYPVKHWICF-NRFANRHFSA-N 489.624 2.426 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(NS(=O)(=O)CC)CC1 1589570440 VEJORIVUQGRWAZ-SIKLNZKXSA-N 491.662 2.029 30 10 JEEE C=C1CCN(c2nnc(-c3cc(OC)ccc3Br)n2CCS(=O)(=O)NC)CC1 1594036963 ZQAMWHITNRZOHA-UHFFFAOYSA-N 470.393 2.422 30 10 JEEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1ccc(O)cc1 1594813192 QGLWZXCCPFENJI-LEWJYISDSA-N 491.614 2.251 30 10 JEEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc(NC(N)=O)cc1 1594943557 SERYBYPJDOZIIG-UHFFFAOYSA-N 454.560 2.399 30 10 JEEE C=CCNC(=O)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCN(C)C(=O)[C@@H]1C 1595489458 GWUNSAVAJXNGSQ-INIZCTEOSA-N 465.583 2.346 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@H](C(N)=O)C1 1595772960 KPMXHZVDWRNOPV-CYBMUJFWSA-N 455.943 2.040 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1595776577 BSCNMGCEMLEXGE-QGZVFWFLSA-N 478.962 2.469 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1C[C@@H](C)OC(C)(C)C1 1595776774 FIACOYMNONBBRC-MRXNPFEDSA-N 462.572 2.321 30 10 JEEE C=CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(CCOC)[C@@H](C)C1 1595871132 HJWXSNHVQLEEFL-SFHVURJKSA-N 483.642 2.268 30 10 JEEE CC(C)CCN(CCC#N)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1nncn1C 1606951298 ASNSUFUSDBOXKJ-UHFFFAOYSA-N 456.576 2.292 30 10 JEEE C[C@@H]1C[C@H](CCn2c(-c3cccc(C#N)c3)nnc2N2CCN(CC(=O)N(C)C)CC2)CCO1 1612679498 CTKSVQPHLFUPOD-WOJBJXKFSA-N 465.602 2.232 30 10 JEEE CCN1CCN(C[C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(NC(C)=O)CC2)CC1 1615881855 HRYHQQFJHLHOGW-FQEVSTJZSA-N 478.645 2.195 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@H](c2cccs2)N2CCOCC2)s1 1624523849 YXVQTPXRPFUWIK-MRXNPFEDSA-N 455.627 2.006 30 10 JEEE N#Cc1ccc(CN2CC[C@H](NC(=O)N[C@@H](CO)c3cccc(Br)c3)C2=O)cc1 1682021254 CPJWCFTWPNTKDN-OALUTQOASA-N 457.328 2.454 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H](C)N1CCN(CC)CC1 1689825804 CYKICBWCWBLTFM-RTBURBONSA-N 472.037 2.345 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCc1csc(C)n1)[C@@H]1CCS(=O)(=O)C1 1689982058 HCWZGRXTCMLQRK-LJQANCHMSA-N 486.579 2.488 30 10 JEEE C#CCN(c1nnc(CSc2ccc(Cl)cc2)n1CCOC)[C@@H]1CCS(=O)(=O)C1 1689998497 NQTNXSNEXQREAA-MRXNPFEDSA-N 455.005 2.497 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1690253078 MKAPJCLJFPIQCF-WEYGHZABSA-N 493.605 2.495 30 10 JEEE C=C(Cl)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)CCNC(=O)C(C)C 1690332474 AWGPUFXMDUWLPU-UHFFFAOYSA-N 469.011 2.156 30 10 JEEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1690464718 IYKUYBPWHQBWBA-SFHVURJKSA-N 453.609 2.451 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](Nc2ccccc2)C1 1690714136 FXSDVZBHRHTUNZ-IBGZPJMESA-N 460.604 2.098 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(CC(=O)N(C)C)CC1 1690717347 CNKXMVFRWLGJBZ-UHFFFAOYSA-N 490.586 2.149 30 10 JEEE C#CCN(c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1705563209 SNBCCIOMQGIRBS-LEWJYISDSA-N 472.611 2.285 30 10 JEEE C#CCN(c1nnc(C2CCC2)n1C[C@@H](c1cccc(OC)c1)N(C)C)[C@H]1CCS(=O)(=O)C1 1705566281 MDUBTOADTDXQGQ-UNMCSNQZSA-N 471.627 2.484 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCS(=O)(=O)C1 1705587122 IELVOIAEJFLHQZ-MOPGFXCFSA-N 475.615 2.248 30 10 JEEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1705656852 LHVKOPQIKBHNCI-UHFFFAOYSA-N 465.627 2.174 30 10 JEEE C#CCSCCn1c(N2C[C@H](C)O[C@]3(CCOC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1705664933 GDHSENHOODGLCW-BWAGFHJFSA-N 450.605 2.069 30 10 JEEE COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nc(C(F)(F)F)cs1 1712453967 FCKIDILQDSLBDY-GFCCVEGCSA-N 478.522 2.070 30 10 JEEE C#CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1722325723 NTTNLANQFNJGLZ-UHFFFAOYSA-N 460.498 2.087 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1Cc1cccnc1OCC)[C@H]1CCS(=O)(=O)C1 1722359688 PPQUJBJVBSQPNL-NRFANRHFSA-N 476.562 2.285 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCN(C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1722365189 CJUCXFHDNKUVOI-NRFANRHFSA-N 464.595 2.412 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1-n1nc(C)cc1C 1722384342 UYUSDRTXKIVFTL-NRFANRHFSA-N 462.579 2.104 30 10 JEEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(=O)NC1CCCCC1 1722409993 MOKIZVNKYDQHSC-UHFFFAOYSA-N 457.604 2.147 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(OC)c(Br)c2)n1CCc1n[nH]c(C)n1 1722423967 WMPZEWHIRQKUCO-UHFFFAOYSA-N 474.363 2.471 30 10 JEEE C#CCN(CCOC)c1nnc(Cc2ccccc2C)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1722427412 USNOUAOJOILMSO-DHIUTWEWSA-N 485.654 2.468 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CCNC(=O)c2ccc(C)c(F)c2)CC1 1722447453 LKLJOWWWPOHHEN-UHFFFAOYSA-N 468.577 2.320 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@](C)(OC)C2CC2)CC1 1722449296 PGHNCLPYSKHESF-QHCPKHFHSA-N 456.616 2.415 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2CCCCO2)n1C[C@]1(N2CCOCC2)CCSC1 1722679553 FRBJCZKMDSPYDR-DENIHFKCSA-N 451.637 2.366 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1722703194 WHQVVBJMTOZQDA-YVWKXTFCSA-N 486.621 2.074 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCOc2ccccc2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1722730032 GEQQUGAHZREXQG-SKPFHBQLSA-N 490.626 2.273 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1723600503 FPSVGJMLKVKSDF-UUOWRZLLSA-N 466.590 2.215 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccccc1N1CCCCC1 1723933649 GMLQWVOEBBNFBA-HTAPYJJXSA-N 475.594 2.369 30 10 JEEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1CCCN1CCCO[C@H](C)C1 1729618471 BEZOZUFLOVTDJL-RTBURBONSA-N 453.591 2.136 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCc1nnc2n1CCCCC2 1740646745 ATTVXQCNEBVOOS-UHFFFAOYSA-N 491.621 2.372 30 10 JEEE C#CCN(CC#CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC1(O)CCOCC1 1740657311 WYOZGDKGHFOHJL-UHFFFAOYSA-N 471.602 2.397 30 10 JEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CCCN(CC(C)C)C2)CC1 1740698865 OAOPAZZUYKFGAF-QHCPKHFHSA-N 452.651 2.263 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2C[C@@H]2CCCN2c2cc(NC)ncn2)CC1 1740702271 KLFNQMDGTHTNGA-ICSRJNTNSA-N 479.633 2.258 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCN(CCC)C(=O)OC(C)(C)C)CC1 1740706560 ZTIIYZROMJYPSK-HXUWFJFHSA-N 488.633 2.395 30 10 JEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)Nc1c(C)cccc1C)C1CC1 1740910760 SAOJHBWITXYISS-LJQANCHMSA-N 488.614 2.021 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)Nc1c(C)cccc1C 1740931696 AJIOEERGCNQHRV-LJQANCHMSA-N 488.614 2.045 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC[C@H](NC(=O)OC(C)(C)C)C2)nnc1[C@]1(OC(C)C)CCOC1 1740964820 IWYFLASHJCOAGY-UUOWRZLLSA-N 492.621 2.114 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2cnn(C)c2)C1 1740981525 PJSXHTLPZGYNGL-MOPGFXCFSA-N 473.578 2.150 30 10 JEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@H](C)c2nccs2)CC1 1748718785 SDKPYYGCQFZOSW-MSOLQXFVSA-N 462.645 2.323 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCNc1ccccn1)[C@H]1CCS(=O)(=O)C1 1748807780 CNXVXUXHIZFTKK-FQEVSTJZSA-N 495.565 2.377 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CC[S@](=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1748807892 DAQVBKDSYTYPOS-OKXSDPAFSA-N 478.640 2.128 30 10 JEEE COc1ccc(Cn2c(CC(C)C)nnc2N2CCN(c3c(C#N)c(C)nn3C)CC2)cc1O 1748814786 DLSGHQZOAPQGFR-UHFFFAOYSA-N 464.574 2.479 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H](OC)C1 1749122252 UNCYFCKZLBTURM-ZJOUEHCJSA-N 475.615 2.402 30 10 JEEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)Cc1cc(F)cc(F)c1 1749666248 KEHFACQHABPYQN-UHFFFAOYSA-N 489.552 2.455 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(c2nc(C)cs2)CC1 1749671508 CVNHXPPKMIFOOP-UHFFFAOYSA-N 455.563 2.402 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccccc3F)n2CC(=O)NCC(F)(F)F)C1 1749719184 PEVWQJDZHOFZKF-CQSZACIVSA-N 457.428 2.456 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1749738613 RWKUJEURPCHVTG-LEWJYISDSA-N 460.600 2.048 30 10 JEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)Sc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1760179101 MGGAXGGUGIVRMW-RTBURBONSA-N 487.651 2.322 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC1(CCOC)CCCC1)[C@@H]1CCS(=O)(=O)C1 1760191109 ATEQTHOFLCALTE-OAQYLSRUSA-N 488.658 2.363 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@]1(O)CCSC1 1760216181 DCBUMPFIDFNAEC-RUZDIDTESA-N 476.606 2.396 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2c(CC)noc2C)CC1 1760261029 GFBFFWOZTHCFAY-NRFANRHFSA-N 499.616 2.249 30 10 JEEE C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1760341131 BKSRAXWGVAECLB-UHFFFAOYSA-N 453.532 2.208 30 10 JEEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1760359400 MNJVBDOUXGQRMK-KRWDZBQOSA-N 452.481 2.361 30 10 JEEE C=C1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCCS(C)(=O)=O)CC1 1760389583 OCCLMQIVTVSWBK-QGZVFWFLSA-N 469.608 2.178 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1760411851 FBNVRPFUQWVTJT-MSOLQXFVSA-N 484.630 2.159 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](c2ccc(F)cc2)C1 1760555706 LAOVXSVLQPKIDP-MJGOQNOKSA-N 450.536 2.100 30 10 JEEE C=CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@H](NC(=O)CC)C1 1760561504 CBMWWQCISPCUPV-SFHVURJKSA-N 467.603 2.335 30 10 JEEE C[C@H]1CN(CCCn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)CCCO1 1763198513 GISKHMFJVSKYQX-SIKLNZKXSA-N 486.642 2.331 30 10 JEEE CCn1cc([C@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCN(C)CCOC)CCO2)cn1 1766933498 FNSBPHDNGFNPDY-JOCHJYFZSA-N 464.574 2.189 30 10 JEEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1ccc([N+](=O)[O-])cc1 1862630255 PQJUHYJHGIFGDX-LJQANCHMSA-N 453.407 2.038 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)Cn2cnc3c(nnn3Cc3ccc(Cl)cc3)c2=O)nc1C 1870103709 HEKNGGAMILUVFY-UHFFFAOYSA-N 499.940 2.436 30 10 JEEE COCCCN1C(=O)c2ccc(C(=O)Nc3c(C#N)nnn3Cc3cccc(F)c3)cc2C1=O 1870106800 GXIPIWKPBYKDGX-UHFFFAOYSA-N 462.441 2.222 30 10 JEEE CCOC(=O)c1ccc(N2C[C@H](C(=O)Nc3c(C#N)nnn3Cc3ccc(C#N)cc3)CC2=O)cc1 1870108873 BOPXODKISRHXHJ-LJQANCHMSA-N 483.488 2.238 30 10 JEEE CCc1cc(=O)n2c(n1)SC[C@H]2CC(=O)N1CCC(CN(C)c2ncccc2C#N)CC1 1890260468 GHNPPWALZRSRAZ-LJQANCHMSA-N 452.584 2.484 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]1C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)s1 2256626861 OVQGXJHIDAPJMR-GDBMZVCRSA-N 452.382 2.346 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@@H](C(=O)NC3CC(B4OC(C)(C)C(C)(C)O4)C3)O[C@@H]2C1 2265142615 HGHOKTOUPLZBLE-ZKLCHKPXSA-N 452.357 2.131 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](NC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)CCO1 2267164898 YCMQHJJMOWYSST-KBPBESRZSA-N 467.397 2.244 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(NS(=O)(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2267375509 IIUFCGRFGDDMEI-NYHFZMIOSA-N 464.393 2.274 30 10 JEEE CC(C)(C)OC(=O)N[C@]12C[C@@H]1CN(S(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1)C2 2267416622 RWWXFQISBDXHGP-QRQCRPRQSA-N 464.393 2.274 30 10 JEEE Cc1cc(S(=O)(=O)N(CCC(N)=O)Cc2ccccc2)ccc1B1OC(C)(C)C(C)(C)O1 2267702073 AGEBSRWXLNIKAC-UHFFFAOYSA-N 458.389 2.361 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@@]2(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C1 2268643656 JFPGIYZWENKDPM-ZSEKCTLFSA-N 465.381 2.407 30 10 JEEE C[C@@H]1COC[C@@H](C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)N1C(=O)OC(C)(C)C 2268646479 JVZJORGTYAAJED-KGLIPLIRSA-N 467.397 2.083 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)[C@@H]1CC=CCC1 2268712361 VZUMWFCYXJZVPF-ZIAGYGMSSA-N 464.397 2.447 30 10 JEEE CC(C)(C)OC(=O)N[C@@]1(C(=O)O)CCN(c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2268995907 FLSKVKQVFYPRES-NRFANRHFSA-N 451.304 2.078 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)CC2(C)C)n1 2282046486 LRSVQRSFTSDMST-MRXNPFEDSA-N 462.400 2.485 30 10 JEEE C[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2282049531 APMXZKIIZCOCHF-BXUZGUMPSA-N 459.249 2.192 30 10 JEEE Cc1cccc(C(=O)N2C[C@@H](O)C[C@@H]2CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2282124481 JJQWMZKWXWSCDK-SJORKVTESA-N 460.380 2.394 30 10 JEEE CN(C[C@H]1CN(C(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)CCO1)C(=O)OC(C)(C)C 2282191532 XKQJAGBIGIKYHZ-INIZCTEOSA-N 461.368 2.089 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CNS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1)C1CCC1 2282288506 OTIQRBNLMLBCKK-GOSISDBHSA-N 481.424 2.353 30 10 JEEE C[C@@H]1CN(Cc2ccccc2)C[C@@H]1CNS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282299105 RDCHBSLOCIIBQA-QUCCMNQESA-N 471.432 2.427 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@@H]2C(F)F)n1 2282534305 FBNOTFWFPPYGCO-WMZOPIPTSA-N 460.334 2.215 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N=[S@@](C)(=O)C[C@H](C)NC(=O)OC(C)(C)C 2282581853 NTMFLTKVNRHOMR-KMWOBCOYSA-N 484.428 2.179 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@](O)(CCNC(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2282656658 VEKJRYBXEIIVIW-XMMPIXPASA-N 460.380 2.478 30 10 JEEE Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O 2282684280 ORDDRLMWBAJVNX-MSOLQXFVSA-N 460.380 2.394 30 10 JEEE CC(C)(C)OC(=O)N1CC2(CCC[C@@H]2NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2283072873 VCJVSRJYDKOIQV-HNNXBMFYSA-N 458.368 2.295 30 10 JEEE CC(C)(C)OC(=O)N[C@H](Cc1cnc[nH]1)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2283947226 XUAPRPBYUJPXLR-MRXNPFEDSA-N 457.340 2.178 30 10 JEEE COC[C@H](ONC(=O)OC(C)(C)C)C(=O)N(C)[C@H](C)c1nscc1B1OC(C)(C)C(C)(C)O1 2283966511 VQJMLSFLSXQLGD-HIFRSBDPSA-N 485.412 2.433 30 10 JEEE C[C@@H](OCc1ccccc1)[C@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1O)C(=O)O 2284476487 LMWLLUVJGWYWHQ-QRWLVFNGSA-N 455.316 2.480 30 10 JEEE CC(C)(C)OC(=O)N1CCN(CC(=O)N2CC[C@@](C)(B3OC(C)(C)C(C)(C)O3)C2)C(=O)C1 2342471425 RKVQJMOXSFJBOI-JOCHJYFZSA-N 451.373 2.151 30 10 JEEE Cn1nc(C(=O)N[C@@H]2C[C@@H]3C[C@H]2C[C@@H]3NC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2359268058 RIZIOVGQHQOFSY-JONQDZQNSA-N 460.384 2.141 30 10 JEEE C[C@@H]1CCCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)[C@@H]1CNC(=O)OC(C)(C)C 2362352195 BMCAVHSTKNFHSW-HZPDHXFCSA-N 462.400 2.485 30 10 JEEE Cn1cc(C(=O)NC[C@@]23CC[C@@H](C2)N(C(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)n1 2363697544 OAMIRTIDDIBVBD-NPMXOYFQSA-N 460.384 2.239 30 10 JEEE CC(C)(C)OC(=O)N1CC(c2c[nH][nH]c2=NC(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)C1 2380487716 BBARAXIAFFUAJC-UHFFFAOYSA-N 458.324 2.310 30 10 JEEE Cc1ccc2c(c1)/C(=N/N=C1\NC(=O)[C@@H](CC(=O)Nc3cccc([N+](=O)[O-])c3)S1)C(=O)N2 39843489 QWLNOMFZQIOFBA-OAHLLOKOSA-N 452.452 2.176 30 10 JEEE COC(=O)c1[nH]c(C)c(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccs2)c1C 102522815 XGHRTHYPISCHEA-QGBVPWCLSA-N 473.551 2.234 30 10 JEEE CCc1cccc(OC[C@@H](O)Cn2c(NN=Cc3ccc(OC)cc3)nc3c2c(O)nc(=O)n3C)c1 606629658 DLTZTNPQRNWYSI-SFHVURJKSA-N 492.536 2.293 30 10 JEEE C#CCN(C(=O)c1ccc(I)c(Br)c1)[C@H]1CCS(=O)(=O)C1 729334522 RRPZKPDJLYWFBR-NSHDSACASA-N 482.137 2.316 30 10 JEEE COCCNS(=O)(=O)c1ccc(Br)c(C(=O)NCc2ccc(C#N)cc2F)c1 729846083 OZDZKULEKCOYGP-UHFFFAOYSA-N 470.320 2.315 30 10 JEEE CC#CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1C[C@H](O)C[C@H]1C(=O)O 757205762 BATMYCMNSMMZIS-AVIJNYRZSA-N 462.502 2.354 30 10 JEEE C#CCN(CC(=O)O)C(=O)[C@]1(C)COC[C@H]1NC(=O)OCC1c2ccccc2-c2ccccc21 757298820 ULYHGBNNKZGTNS-ATIYNZHBSA-N 462.502 2.477 30 10 JEEE C#CC[C@@H](NC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)OCC)C(=O)O 757312219 ZFIILTBVRGGMEV-NHCUHLMSSA-N 464.474 2.050 30 10 JEEE CC(=O)c1ccc(NC(=O)CCSc2n[nH]c(NN=Cc3c(C)nn(CCO)c3C)n2)cc1 1084113147 NCPLDXWRYWJXDM-UHFFFAOYSA-N 470.559 2.380 30 10 JEEE CN(C1CCCCC1)S(=O)(=O)N1CCN(C(=O)c2cc(-c3cccc(C#N)c3)no2)CC1 1124898997 FTEQHULKRNFJRT-UHFFFAOYSA-N 457.556 2.480 30 10 JEEE C=CCN(CC=C)[C@H](CNC(=O)N1CCO[C@H](CN2C(=O)c3ccccc3C2=O)C1)C(C)C 1211221079 AJBDBNRGHIBPHI-SIKLNZKXSA-N 454.571 2.392 30 10 JEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccc1N1CCOCC1 1286325025 UPNBFSRLOLDRNK-NRFANRHFSA-N 471.627 2.457 30 10 JEEE C#CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1286339923 TXVYGGTWHOUIQP-GOSISDBHSA-N 451.487 2.033 30 10 JEEE C#CCN(c1nnc([C@@H](C)CC)n1CCN(C)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1286384347 IDERUNLJTIQOQN-IRXDYDNUSA-N 453.609 2.285 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(Br)s2)n1Cc1nnnn1CC1CC1 1286461537 ZKVUNXCEFLVWNM-UHFFFAOYSA-N 477.392 2.300 30 10 JEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(F)c(OC)c2)CC1 1286504590 OIJZKFBNPRTMIR-SFHVURJKSA-N 458.563 2.070 30 10 JEEE C=C(C)Cn1c(N(C)C2CCN(S(C)(=O)=O)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1286598568 QMHDCJKDIITCBU-CALCHBBNSA-N 482.651 2.485 30 10 JEEE C=CCCCCCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@]1(O)CCS(=O)(=O)C1 1286680977 HEGZEASOUMXBMA-HSZRJFAPSA-N 476.599 2.449 30 10 JEEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 1286688081 OUZZNOUSGFWSAD-OAQYLSRUSA-N 471.627 2.428 30 10 JEEE C=CCN(CC=C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCCCS1(=O)=O 1286752723 FYCOTQFHCXFIEO-HXUWFJFHSA-N 493.655 2.341 30 10 JEEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1286770722 UANMUVBTCABDDE-UHFFFAOYSA-N 487.630 2.109 30 10 JEEE CCCC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@](C)(O)CCOC)CC1 1293765946 AUTNBIWZDWTDRJ-XMMPIXPASA-N 454.575 2.489 30 10 JEEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C 1300446199 ISSBBOAYLOPIBR-KRWDZBQOSA-N 465.562 2.493 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1300504352 MMBNPHGEVDDNDV-FPOVZHCZSA-N 458.584 2.361 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@H]2CCC(F)(F)C2)CC1 1300689196 SDXJEVXTRSTFMR-SFHVURJKSA-N 492.596 2.386 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2CCS(C)(=O)=O)CC1 1300718782 XWHLINNVYRKOIT-MRXNPFEDSA-N 489.667 2.142 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@](O)(c2ccccc2)C(F)(F)F)CC1 1300730944 HRZVIRYDTCXOJM-QFIPXVFZSA-N 479.503 2.231 30 10 JEEE C=C(Cl)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(CC)CCS(C)(=O)=O 1301040408 FHAIEBBYLVSMSK-UHFFFAOYSA-N 454.000 2.076 30 10 JEEE C=CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)CC[C@H]2C1)c1ccccc1 1301164245 QZGNVYCQOYETPZ-SXLOBPIMSA-N 472.615 2.059 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1301578187 TWFAUZXQAQJECJ-RBUKOAKNSA-N 450.536 2.069 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)c1ccc(F)cc1 1301588705 ILFIIGKUHWJLRE-RDJZCZTQSA-N 470.592 2.118 30 10 JEEE COc1ccccc1Cc1nnc(N2CCC(CC#N)CC2)n1CC1(C(N)=O)CCOCC1 1315621409 GOCDKYHFXVNMHE-UHFFFAOYSA-N 452.559 2.290 30 10 JEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2cc(F)cc(N3CCOCC3)c2)c1 1356457513 FGWJTWPRDZPNRC-UHFFFAOYSA-N 451.498 2.149 30 10 JEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2ncc(-c3ccccc3)o2)CC1 1358920004 PRQBPWLQCXTCKF-IBGZPJMESA-N 497.625 2.279 30 10 JEEE C#CCN(c1nnc(CC)n1Cc1cn2cc(Cl)cc(Cl)c2n1)[C@H]1CCS(=O)(=O)C1 1358963048 AZVQQEPKMSFPCI-HNNXBMFYSA-N 467.382 2.470 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCN(C)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1358964182 VDNQFQHJRXAZAQ-MOPGFXCFSA-N 495.646 2.056 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1358976692 NKZDRVJZWRRSQX-BGYRXZFFSA-N 487.608 2.153 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC1CCN(CC(F)(F)F)CC1 1358994738 VKBBRDRYUYGQNM-LJQANCHMSA-N 485.576 2.308 30 10 JEEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCC(=O)NC1CC1 1359010497 RLUPTJYJRAEUED-GOSISDBHSA-N 460.579 2.105 30 10 JEEE C=CCCOCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCO[C@@H](C#N)C1 1359225694 IBLCCRIKMVEINI-SFHVURJKSA-N 463.542 2.386 30 10 JEEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(C)CN(C2CC2)C1=O 1359241034 CXJICQZIUVGEKQ-HXOBKFHXSA-N 460.579 2.220 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCC2(CC1)CNC(=O)C2)C(C)C 1359266333 YRABZQHXFORFKK-NRFANRHFSA-N 466.634 2.484 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@@H](C)[C@H](OC)C1 1359333215 RAHYCTFLFURXIF-AHRSYUTCSA-N 462.572 2.253 30 10 JEEE N#Cc1ccc(S(=O)(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)cc1Br 1474999356 AWONGJKQEWIBSL-LJQANCHMSA-N 450.358 2.236 30 10 JEEE CC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCC(O)CC2)CCN1CCOC 1499696073 DSYOUCSVIBZGOI-QHCPKHFHSA-N 481.645 2.211 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OCC)CCOC3)n2C[C@@H]2CCOC[C@@H]2OC)c1 1507549501 GTLBRVPQYBHBJF-YBXDKENTSA-N 497.596 2.038 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccc(C[S@@](C)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1507623052 OHUOJXZAQIXDDP-HZAQMHFWSA-N 462.641 2.129 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ccc(OC(C)C)cc1)[C@H]1CCS(=O)(=O)C1 1507631944 VRBABWGTCPKBGO-IBGZPJMESA-N 466.567 2.197 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1507652032 WVQCJMUCTNPBCI-OYRHEFFESA-N 459.598 2.477 30 10 JEEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCO[C@@H]1C(=C)C 1507709954 GUJJBBUZHPJKCT-UYAOXDASSA-N 472.615 2.305 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2Cc2nccs2)CC1 1507716443 RNZNKAYSFSCVBG-UHFFFAOYSA-N 455.975 2.122 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2CCN(C)CCOC)CC1 1507720037 GQRYVTNPDMKAKS-LJQANCHMSA-N 456.660 2.465 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(C)o3)n2CCCS(=O)(=O)c2ccccc2)CC1 1507721779 YDYQUQOPLNFJNM-UHFFFAOYSA-N 453.568 2.466 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1507785419 QONAUBUGPKBFKV-GVDBMIGSSA-N 470.412 2.448 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CCO)Cc1ccccc1OC 1507797875 MQLQFFGBHQCKEG-ONTIZHBOSA-N 490.626 2.169 30 10 JEEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC=C(c2ccc(O)cc2)CC1 1507837002 GIRWBPIMJHOZIJ-QGZVFWFLSA-N 461.588 2.480 30 10 JEEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccc(F)cc2)CC1 1507933799 BJDXTFLJFOKVFQ-OAQYLSRUSA-N 492.621 2.433 30 10 JEEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(c2ccccc2C#N)CC1 1507942843 FQPYESSDOHKTMH-GOSISDBHSA-N 457.604 2.443 30 10 JEEE C=CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1507945224 CSWSEOOWSRZXQH-HZPDHXFCSA-N 468.649 2.462 30 10 JEEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1507966436 XZISCEOIYZIKNO-UHFFFAOYSA-N 470.622 2.460 30 10 JEEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1cccnc1OCCOC 1507978092 FIRFHDBINRWTEC-UHFFFAOYSA-N 461.526 2.283 30 10 JEEE CC[C@H](C)[C@@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(C#N)c1)OC 1512753645 BRCWUTQIQLNPDX-IOMROCGXSA-N 490.630 2.180 30 10 JEEE CCOCc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1C[C@@H](C)CN1CCOCC1 1516586017 DUCLEHMOWYSNON-IBGZPJMESA-N 471.581 2.120 30 10 JEEE C#CCCCCC(=O)Nc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)c(Br)c1 1518886763 OETDDQPYNMWHGG-UHFFFAOYSA-N 451.364 2.307 30 10 JEEE C#C[C@H](NC(=O)[C@H](Cc1cccc(Br)c1)[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCCO1 1537762510 DFDQYFYCGYUWOY-YSHGAJCASA-N 454.386 2.340 30 10 JEEE C#CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1539045425 UFXTWLXQGDVIKY-GOSISDBHSA-N 463.991 2.288 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2C[C@H]2CSCCS2)c1 1539046097 NDVHJMBLVAEDGN-IBGZPJMESA-N 484.651 2.305 30 10 JEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 1539053690 XVUZEHCZUVYENU-ROUUACIJSA-N 482.651 2.433 30 10 JEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 1539071587 CKYGZJCMHSIGSH-CTNGQTDRSA-N 475.659 2.459 30 10 JEEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCNC(=O)OC(C)(C)C 1539176434 NJNKLHBSZQUZPI-UHFFFAOYSA-N 454.579 2.436 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(C)nc1 1539265288 FDPSZXZUTZDXLG-HXUWFJFHSA-N 450.543 2.411 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(NC(=O)C2CCC2)c1 1539296817 UORJNRKWEBBMDT-SFHVURJKSA-N 482.610 2.138 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCC(=O)NC(C)(C)C)CC1 1539434900 XKBWQZAMEZJZRA-UHFFFAOYSA-N 454.575 2.022 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CC2(c3ccccc3)CCOCC2)CC1 1539466984 KXXWNBFGBFZKRM-UHFFFAOYSA-N 492.624 2.131 30 10 JEEE C#CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1539497273 IRPLYGWMTSWMNH-LJQANCHMSA-N 468.583 2.087 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2cccc(OCC)c2)CC1 1539847927 JEPIQEAIKCBYPG-OAQYLSRUSA-N 475.615 2.409 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2nnc3ccc(C(F)(F)F)cn23)s1 1540495145 WLERZBBWMOSCQB-UHFFFAOYSA-N 459.475 2.133 30 10 JEEE COc1ccc(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1OCc1cccnc1 1540849388 GZDZXMGHNKDKDH-UHFFFAOYSA-N 452.492 2.458 30 10 JEEE C=CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1540854189 OLRQCLHFJKLKIE-INIZCTEOSA-N 476.534 2.383 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1540874685 OHFYSMQGDUKGMM-RBUKOAKNSA-N 452.559 2.024 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@H](CN2CCOCC2)C1 1540899084 CLTWYMQTRRMWJG-GOSISDBHSA-N 480.034 2.358 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1540907081 LANCFGGUTIGKSY-NRFANRHFSA-N 486.598 2.078 30 10 JEEE CC[C@H](C)N(C)CCn1c(CN2CCCC2=O)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1545676321 AYYNOBYGPWMPRW-IBGZPJMESA-N 482.608 2.468 30 10 JEEE CCn1nc(-c2nnc(N(C)C[C@H](C)C#N)n2C[C@@H]2CCOC[C@H]2OC)c2ccccc2c1=O 1547737212 HBDBCMBVXRXSDU-FUHIMQAGSA-N 465.558 2.322 30 10 JEEE C#CCN1CCC(NC(=O)C2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)CC1 1558423164 OLMCTEGXRXEZSJ-UHFFFAOYSA-N 457.518 2.320 30 10 JEEE C=CCn1c(S)nnc1Cc1csc(NC(=O)c2cc(C)ccc2S(N)(=O)=O)n1 1584411838 GTHXRKSDBHEDKZ-UHFFFAOYSA-N 450.571 2.008 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1CCN(CCN(C)C)CC1 1587633231 SKIYGYARUAFMOP-NRFANRHFSA-N 479.677 2.184 30 10 JEEE C#CCCCCn1c(N2CCC[C@H](N3CCCS3(=O)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1587792838 BQNWQNILMDTWDV-NZQKXSOJSA-N 479.647 2.127 30 10 JEEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(CNC(C)=O)CC1 1587856809 RYWARPQCBGGUAA-UHFFFAOYSA-N 450.591 2.218 30 10 JEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ccnc(OC(F)F)c1 1587932202 MREXCMJRHHCKIR-UHFFFAOYSA-N 476.509 2.310 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1C[C@](C)(O)[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1588045216 HIWZLZKDAARVIL-QSAZIKIQSA-N 474.583 2.098 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCc1ccc(F)cc1Cl)[C@@H]1CCS(=O)(=O)C1 1588054621 OONCXSWXLUSLDR-SJLPKXTDSA-N 466.966 2.444 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccn3C)n2C[C@H]2CCCN(C(C)=O)C2)n1 1588723345 LFOBUXBTERHLNU-NRFANRHFSA-N 478.601 2.025 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2Cc2nccc(C(F)F)n2)CC1 1588871439 DFZUTJRZRGZZON-UHFFFAOYSA-N 469.496 2.397 30 10 JEEE C#CCSCCn1c(COc2ccccc2F)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1589116067 COUFFSYLFFVBDR-FQEVSTJZSA-N 486.573 2.129 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C(N)=O)cc1 1595261302 PUWIEIPVTPBEPK-IBGZPJMESA-N 469.567 2.156 30 10 JEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2c(F)cc(F)cc2[C@@H]1C 1595405370 MEUQGKZWNLZPGS-SCLBCKFNSA-N 453.515 2.199 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 1595602468 KWJWYPVBEKRCNF-QGZVFWFLSA-N 473.965 2.335 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@H](C)[C@H](OC)C1 1595777019 HHHMHPVLLVDKFO-OXJNMPFZSA-N 464.588 2.424 30 10 JEEE CCCn1nc(-c2nnc(N(C)C[C@H](C)C#N)n2CCCN2CCOCC2)c2ccccc2c1=O 1614894751 AGKDZIIZFKSBIE-LJQANCHMSA-N 478.601 2.383 30 10 JEEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[S@@](=O)C(C)(C)C 1617869570 CITZZYAYNYDAPD-YVGXBJCXSA-N 463.629 2.235 30 10 JEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@@H]1CCCCN1C(=O)OC(C)(C)C 1627139096 FJURNCIOWSDYON-WBVHZDCISA-N 450.561 2.131 30 10 JEEE C=CCS(=O)(=O)CCNC(=O)N1CCC(C(=O)Nc2ccccc2Br)CC1 1633522793 QLZISSJRFXEXCG-UHFFFAOYSA-N 458.378 2.410 30 10 JEEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCC(=O)N1CCCCC1 1689971920 AOQNUDIJUUNQGH-UHFFFAOYSA-N 463.630 2.115 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@H](c1cccs1)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1689979726 GLYGDJHGKPPGAB-MOPGFXCFSA-N 491.683 2.337 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1CCCn1cccn1)[C@H]1CCS(=O)(=O)C1 1689995822 AVOZEIGXNOOETL-FQEVSTJZSA-N 468.583 2.079 30 10 JEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CC(F)(F)CNC(=O)OC(C)(C)C)CC1 1690132069 GKLBEBIHSKHNED-UHFFFAOYSA-N 492.575 2.055 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2cccc(C(=O)NC)c2)CC1 1690410894 ANIIVTZXCDQVKJ-FQEVSTJZSA-N 457.600 2.185 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1690430151 DVLVXANBDTZSLF-HXUWFJFHSA-N 486.642 2.484 30 10 JEEE C=CCCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1690488140 LVRRBYOWNIZNBE-GOSISDBHSA-N 457.604 2.248 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCCN2CCCC2)cc1 1690527312 NAAROQQJVCYVKW-HXUWFJFHSA-N 459.616 2.325 30 10 JEEE C=CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1690642303 HRVIWVWMZHQDGM-KRWDZBQOSA-N 482.651 2.487 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC(NC(=O)c2ccc(F)cc2)CC1 1690722640 QCGNFZKPSIINCM-UHFFFAOYSA-N 486.573 2.412 30 10 JEEE C[C@H](C#N)CN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCc1ccn(C)n1 1691007971 CJSUCZRBNYYICE-OAQYLSRUSA-N 461.618 2.215 30 10 JEEE Cc1cccc(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCN(CC(=O)NC(C)C)CC2)n1 1693207633 GHCYXSHKEVTLHJ-UHFFFAOYSA-N 472.597 2.410 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Cl)n1C[C@]1(O)CCSC1)[C@@H]1CCS(=O)(=O)C1 1705565333 UGWVABMZSIKQSB-FOIQADDNSA-N 467.016 2.093 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 1705571754 HFCPPICDPJCUHK-SXLOBPIMSA-N 479.002 2.331 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(Br)cn2C)n1CC1(S(C)(=O)=O)CC1 1705592310 UITNVVJNQFTNDM-UHFFFAOYSA-N 464.389 2.086 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCc1c[nH]nc1C 1705629137 YCPQQQTVDKPKPR-HXUWFJFHSA-N 487.605 2.337 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](c2ccc(CC)cc2)N(C)C)CC1 1705648050 PSTDLSBODUJAMY-GOTSBHOMSA-N 491.640 2.060 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2C[C@H]2CCCCS2(=O)=O)CC1 1705651185 MZHHAORKNBIZCI-JOCHJYFZSA-N 499.637 2.099 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1705693505 HKBJGTDGDJZXAV-OALUTQOASA-N 479.647 2.335 30 10 JEEE C=C(C)COCCn1c(CC2CCCC2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1705738468 YSFWOLPUPCFZLI-OAQYLSRUSA-N 481.663 2.234 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1705906553 IQMADXOZNPYVFB-NTKDMRAZSA-N 455.559 2.160 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCC[C@H](n3cc(C)cn3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1705939432 XGDQOWIDDOELMO-NZQKXSOJSA-N 492.646 2.266 30 10 JEEE CC(C)NS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](N2CCCCC2)C1 1706655696 GHGZVWQLCKEIGK-OAQYLSRUSA-N 471.631 2.209 30 10 JEEE Cc1ccc(C)c(OCc2nnc(N(C)C[C@@H](C)C#N)n2CC2(O)CCS(=O)(=O)CC2)c1 1707327410 ICVDYPPJKMBSHB-KRWDZBQOSA-N 461.588 2.010 30 10 JEEE CCN(c1nnc(COc2ccc(C#N)cc2)n1CCCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1709971441 FUBVDDLLBJFBAW-HXUWFJFHSA-N 483.598 2.337 30 10 JEEE C#CCN(c1nnc(C2CC2)n1Cc1ccc(C)cc1OCCOC)[C@H]1CCS(=O)(=O)C1 1722365757 FHOWUKSSZWQCLD-FQEVSTJZSA-N 458.584 2.164 30 10 JEEE C#CCN(c1nnc([C@@H](C)CC)n1CC(C)(C)N1CCC(OC)CC1)[C@@H]1CCS(=O)(=O)C1 1722366782 SMCTWRUDNOULGX-RBUKOAKNSA-N 465.664 2.308 30 10 JEEE C=CC[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)NCC)CC1)c1ccccc1 1722596144 DFXJNEHDQCKQPG-LEWJYISDSA-N 486.642 2.392 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC1(O)CCOCC1 1722658516 JCRKWIDMDNFAQC-HXUWFJFHSA-N 460.600 2.304 30 10 JEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1722686145 RRRACPSVFGHULC-MOPGFXCFSA-N 473.578 2.183 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 1722696589 PKIRIMZFUBUUOP-UHFFFAOYSA-N 455.563 2.383 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC(C(=O)NC2CCCCC2)CC1 1722700340 FTNAMKQPGGGHGN-UHFFFAOYSA-N 465.602 2.231 30 10 JEEE CC(C)(C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(C(=O)C2CC2)CC1 1722878691 DMRWWFBNFJUHCF-UHFFFAOYSA-N 463.586 2.428 30 10 JEEE CCN1CCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1728575441 IDDABGPTZATMPO-TZIWHRDSSA-N 471.631 2.067 30 10 JEEE COc1cc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCN2CCOC[C@@H]2C)cc(OC)c1OC 1729969574 ATKLCJSSVMSMEE-QMHKHESXSA-N 474.537 2.134 30 10 JEEE COc1ccc(Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CCO[C@@H](C#N)C2)cn1 1730149617 IDMZOQOSSISRSY-SFHVURJKSA-N 467.917 2.042 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCCS(=O)(=O)c1ccccc1 1740531284 IYRRFPYRWLZWIR-KRWDZBQOSA-N 452.540 2.247 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1740752087 SKQDUTVJJCPHEA-NSHGMRRFSA-N 488.614 2.310 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1740961125 MNYVPBVALZXIIH-UHFFFAOYSA-N 453.591 2.110 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(CCOC)[C@H](CC)C1 1740965210 FJWOYDPWXGCCRW-SFHLNBCPSA-N 462.639 2.046 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCC(F)F 1740991706 CEKFHDWPCHGCHA-OAHLLOKOSA-N 493.577 2.279 30 10 JEEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)CN2CCCC2)C1 1746536529 FLJRYTQUOPSZHR-NRFANRHFSA-N 485.658 2.457 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)c(OC(F)F)c1 1748671968 ORICIDUXRJKKQM-HIFRSBDPSA-N 454.499 2.296 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccccc1CN1CC[C@@H](O)C1 1748689384 BMAJALVPDKCNLB-IITNATTFSA-N 453.587 2.075 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CCCS(=O)(=O)C1 1748689878 JJRUADLWKZKOFB-XDNAFOTISA-N 465.620 2.332 30 10 JEEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccccc1N1CCOCC1 1748830232 RESIVVHTVKQKHO-SANMLTNESA-N 463.582 2.276 30 10 JEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccncc1Cl 1748841255 VXSVAPACKIDMRZ-UHFFFAOYSA-N 453.959 2.408 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@](C)(O)CC 1748960354 ISHJRSYPSGKPEB-XMMPIXPASA-N 452.559 2.483 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](C)Oc2ccccc2C)CC1 1749015923 RWPXIEOMAFYYAG-HXUWFJFHSA-N 478.597 2.142 30 10 JEEE C=CCC(C)(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1749355986 UNWLWIWRBJVPLF-KRWDZBQOSA-N 495.671 2.421 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1CC1CCS(=O)(=O)CC1 1749532555 UEEANNRVOFHDKC-FQEVSTJZSA-N 468.583 2.118 30 10 JEEE C=CCN(CCOC)c1nnc(-c2cc(F)ccc2Br)n1CC(=O)N1CCOCC1 1749592424 LTEDMOYAJSVCFT-UHFFFAOYSA-N 482.354 2.344 30 10 JEEE C=CCOc1ccc(Cn2c(Cn3nc(C)cc3C)nnc2N2C[C@@H](O)[C@H](CC(=O)OC)C2)cc1 1749686392 UKYPUDSXSNLSBG-IFMALSPDSA-N 480.569 2.113 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN([C@@H](C)c2nccs2)CC1 1749741181 SBYDVKYULMZRKF-DLBZAZTESA-N 466.633 2.070 30 10 JEEE COCCN(CCC#N)c1nnc(-c2cc(OC)ccc2Br)n1C[C@@]1(O)CCN(C)C1 1749824393 GXTXCNZDPSMSLH-OAQYLSRUSA-N 493.406 2.149 30 10 JEEE CC(C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(C)CCOCC2)CC1 1750998058 FYDRPOMPRPAUCD-UHFFFAOYSA-N 465.602 2.280 30 10 JEEE C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1)N(C)C1CC1 1751122308 GYYLQVHCXBTTOZ-QUCCMNQESA-N 485.658 2.407 30 10 JEEE CC1(C)COCCN1CCn1c(CNC(=O)c2cccs2)nnc1N1CCC(C#N)CC1 1751300955 FGXZPYQHIOXCJH-UHFFFAOYSA-N 457.604 2.120 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](CC(C)C)N(C)C)c1 1760128932 WOSZFAXRTBVGDW-NHCUHLMSSA-N 465.602 2.262 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1Cc1cc(F)ccc1F)[C@@H]1CCS(=O)(=O)C1 1760182340 IRSCVPYQNZIPLY-GOSISDBHSA-N 479.553 2.150 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1Cc1ccc(F)cn1)[C@H]1CCS(=O)(=O)C1 1760185169 RCTZYEDHXCUVLL-SFHVURJKSA-N 485.541 2.171 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC1(CCOC)CCCC1)[C@H]1CCS(=O)(=O)C1 1760191108 ATEQTHOFLCALTE-NRFANRHFSA-N 488.658 2.363 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccc(OC(C)C)nc2)CC1 1760265743 IGAJAENMBPGARH-AREMUKBSSA-N 496.612 2.127 30 10 JEEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1760283262 HMXRTNLTONBBPE-UHFFFAOYSA-N 487.699 2.135 30 10 JEEE C#CCSCCn1c(N2CCO[C@H](Cn3nc(C)cc3C)C2)nnc1[C@@]1(OCC)CCOC1 1760286643 QHMFBMSIQPNMEN-NZQKXSOJSA-N 474.631 2.015 30 10 JEEE C=C(Cl)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1760368694 KESUOAHRYONVAP-HZPDHXFCSA-N 467.935 2.062 30 10 JEEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1760407648 JYAUUIFQROHZOL-UHFFFAOYSA-N 452.625 2.025 30 10 JEEE C=CCC(C)(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)CC(=O)N1CCOCC1 1760411154 DRRLWUKOOCTLFT-UHFFFAOYSA-N 465.558 2.491 30 10 JEEE C=CCn1c(CCc2ccccc2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1760512148 ILYRXYGKZAUJRO-UHFFFAOYSA-N 450.587 2.190 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CCN(CCOC)[C@H](C)C1 1760518642 CNIXETMBDWARSZ-MRXNPFEDSA-N 477.407 2.167 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2c[nH]c3ccccc23)nnc1N1C[C@H](C)O[C@H](COC)C1 1760556826 REKUEPFKWAQFMZ-HKUYNNGSSA-N 473.599 2.191 30 10 JEEE CC(=O)N1CCN([C@@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCCCCCO)C[C@@H]2C)CC1 1760623716 UHRRDWSCYUXIPV-GBXCKJPGSA-N 479.629 2.358 30 10 JEEE CC(=O)N1CCN(CCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC(CC#N)CC2)CC1 1760624870 CHIRKMXLVIWXST-FGZHOGPDSA-N 471.650 2.491 30 10 JEEE COCCN(CCC#N)c1nnc(C(=O)NC(C)C)n1Cc1nc2cccc(Cl)c2n1C 1771109105 DNPANCMFLWKPCR-UHFFFAOYSA-N 458.954 2.371 30 10 JEEE N#C[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2cc(Br)ccc2F)CCO1 1771537053 GUBZWZOCHYZRIO-ZBFHGGJFSA-N 463.311 2.102 30 10 JEEE CCCC[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1)C(=O)Nc1ccc(C#N)cc1 1866592601 GYWWZDUULUVLSN-HSZRJFAPSA-N 497.621 2.422 30 10 JEEE CCCCCCCCC(=O)Nc1nc(N(CCOC)CCOC)nn1[C@@H]1CCS(=O)(=O)C1 1870078180 BXEAZOOMKAZESV-GOSISDBHSA-N 473.640 2.426 30 10 JEEE N#Cc1c(NC(=O)COc2ccc(S(=O)(=O)N3CCC(O)CC3)cc2)sc2c1CCC2 1872720402 BJGNZNYHOBKTAF-UHFFFAOYSA-N 461.565 2.271 30 10 JEEE COc1ccc(N2C[C@@H](c3nnc(SCC(N)=O)n3/N=C/c3ccccc3OC)CC2=O)cc1 1874199227 JDPRXXOQYYQBQV-YEEYNWEUSA-N 480.550 2.275 30 10 JEEE CC(C)N1C[C@H](c2nnc(SCC(=O)NCc3ccco3)n2/N=C/c2cccn2C)CC1=O 1874333091 GWIBZGNAHGAAQB-JKHIYUEESA-N 469.571 2.225 30 10 JEEE COc1cc(OC)c(OC)cc1/C=N/n1c(Cc2ccccc2F)nnc1SCC(N)=O 1874374612 FPWLXCDEQNKERV-BHGWPJFGSA-N 459.503 2.493 30 10 JEEE CC(C)N1C(=O)CS[C@H](C(=O)N2CC[C@@H](Oc3ccncn3)C2)[C@@H]1c1ccc(C#N)cc1 1891290554 CUUKFPIHBDJOAX-COPCDDAFSA-N 451.552 2.422 30 10 JEEE CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2180984233 IFCIKPCASSVQDG-IBGZPJMESA-N 461.412 2.099 30 10 JEEE Cc1cnc(N2C[C@@H]3[C@H](C2)CN(C(=O)OC(C)(C)C)[C@H]3CO)c(B2OC(C)(C)C(C)(C)O2)c1 2241058281 YIVNXSHIBSCPDY-LMMKCTJWSA-N 459.396 2.353 30 10 JEEE CC(C)(C)OC(=O)NCCCOCCNC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2255641073 WOHKDXDEXBOBKP-UHFFFAOYSA-N 455.386 2.104 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@@H]2NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2255942909 PGCXBUQQWFOVCD-DVOMOZLQSA-N 470.422 2.333 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)sc1CNC(=O)[C@H](O)CCNC(=O)OC(C)(C)C 2256732728 GAWKKUKNLPHWLL-CQSZACIVSA-N 454.398 2.248 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H](CNC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C(F)(F)F 2267092063 LYOMDVBIFPFRLB-LLVKDONJSA-N 462.278 2.142 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@](O)(CNC(=O)c2occc2B2OC(C)(C)C(C)(C)O2)C1 2267189606 COIXVYJTAGSHGI-QFIPXVFZSA-N 450.341 2.071 30 10 JEEE CC1(C)OB(c2scnc2CS(=O)(=O)NCc2ccn(Cc3ccccc3)n2)OC1(C)C 2267466563 CQKQKPGPUOFHSW-UHFFFAOYSA-N 474.417 2.307 30 10 JEEE C[C@@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2267473522 HDRLTBBHBWHDMM-KGLIPLIRSA-N 487.453 2.260 30 10 JEEE CC(C)(C)OC(=O)NC[C@H](O)CNC(=O)c1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1Cl 2267803069 ZYUAIDZIUJOTGA-GFCCVEGCSA-N 472.750 2.394 30 10 JEEE COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1NC(=O)CN(CCO)C(=O)OC(C)(C)C 2268631368 XPBIQYSZVKFYRD-UHFFFAOYSA-N 450.341 2.162 30 10 JEEE COC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2269692219 YUTUMFOUCDELJL-QGZVFWFLSA-N 452.332 2.281 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](O)CN1C(=O)c1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2281786962 YDHQYHCCTWJIRX-CVEARBPZSA-N 464.343 2.225 30 10 JEEE Cc1cc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2CO)oc1B1OC(C)(C)C(C)(C)O1 2281974934 ZJRJQUZBFMSROR-HOTGVXAUSA-N 464.368 2.235 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C1 2282006849 YYPGQUFDZAIVGN-HNNXBMFYSA-N 462.400 2.403 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)C1(C)C 2282048782 QFRYQLIFAPCCBP-GOEBONIOSA-N 462.400 2.389 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@H]1CNCCN1Cc1ccccc1 2282112979 KKAIVNANUHOBSY-OAQYLSRUSA-N 452.408 2.011 30 10 JEEE CCc1nc(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 2282512125 GPYAKBVYAUURBZ-KGLIPLIRSA-N 481.424 2.105 30 10 JEEE Cn1ncc(C(=O)N[C@H]2CN(Cc3ccccc3)CC(F)(F)C2)c1B1OC(C)(C)C(C)(C)O1 2282561627 SMUCFXCKXLWLCR-QGZVFWFLSA-N 460.334 2.359 30 10 JEEE Cn1nc(C(=O)N=[S@](C)(=O)CCCCNC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2282621539 SWGOKUWLLQKDLU-MGBGTMOVSA-N 484.428 2.262 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CC2(CC2)C1 2282625683 YQDDCZBHHFFVNL-MRXNPFEDSA-N 458.368 2.295 30 10 JEEE CC(C)(C)OC(=O)N=S1(=O)CC2(CN(C(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)cn3)C2)C1 2282668497 ZXVAUKWIAQAUCE-UHFFFAOYSA-N 477.392 2.240 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2Cc3cccc(B4OC(C)(C)C(C)(C)O4)c3C2)C1 2284046076 VMHMPEKLRAPLNM-XMMPIXPASA-N 458.364 2.200 30 10 JEEE COc1ccc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)C2COC2)c(B2OC(C)(C)C(C)(C)O2)c1 2284059926 WOXJVPOWTZHBKI-SFHVURJKSA-N 462.352 2.473 30 10 JEEE C[C@H](OCc1ccccc1)[C@@H](NS(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)O 2284413672 ATGHLFIZRONQNO-OXJNMPFZSA-N 475.372 2.323 30 10 JEEE CC(C)(C)OC(=O)NCCOCC(=O)NCCc1c(F)cccc1B1OC(C)(C)C(C)(C)O1 2289658065 TZXDRAIXIBCGAJ-UHFFFAOYSA-N 466.359 2.325 30 10 JEEE COc1cccc(CCc2nnc(SCC(N)=O)n2N=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c1 2328622084 YEEYEONTIVBBQI-UHFFFAOYSA-N 498.521 2.211 30 10 JEEE CO[C@@H](CNC(=O)OC(C)(C)C)CNC(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1F 2339942196 JEPKATGOLVPBMU-CQSZACIVSA-N 452.332 2.394 30 10 JEEE Cn1cc(C(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)CC23CC3)nc1B1OC(C)(C)C(C)(C)O1 2361528431 WJLWOHSHMIZGSO-HNNXBMFYSA-N 460.384 2.096 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@]3(CCN3C(=O)OC(C)(C)C)C2)n1C 2362573227 KATMZWFITLYWGL-QHCPKHFHSA-N 460.384 2.253 30 10 JEEE Cc1c(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccncc2)cnn1-c1ccccc1 103219812 KOYQMBJSYIEBOO-FEYWKWKCSA-N 473.533 2.330 30 10 JEEE C=CCNC(=O)CN1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)C23CC4CC(CC(C4)C2)C3)CC1 516759103 PDIKIMITTZACSU-JCOHCIRGSA-N 492.664 2.377 30 10 JEEE COc1ccc(C(=O)O[C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)cc1S(=O)(=O)N(C)C 820839166 HPHZPGLIEKFEHV-BXFSZVDSSA-N 465.572 2.422 30 10 JEEE COc1ccc(C(=O)CSc2nnc(NN=Cc3cc(OC)c(O)c([N+](=O)[O-])c3)n2N)cc1 1084274073 LZNIDSNZBUFWHK-UHFFFAOYSA-N 473.471 2.044 30 10 JEEE CC(=O)c1ccc(S(=O)(=O)NCCC(=O)NC2(c3ccc(C#N)cc3)CCOCC2)cc1 1151443262 FDVWDNZHGUZCIF-UHFFFAOYSA-N 455.536 2.251 30 10 JEEE C=CCn1c(SC2CCOCC2)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 1164623724 ZJQRWGVIQSALCZ-UHFFFAOYSA-N 450.586 2.423 30 10 JEEE C#CCn1ccc(CN(CCOC)CC(=O)Nc2cccc(I)c2)n1 1194010705 YJJQKKRSNPYIAN-UHFFFAOYSA-N 452.296 2.208 30 10 JEEE C#CCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@]1(N2CCOCC2)CCSC1 1286358159 BUQYFQPUZOUXJD-DEOSSOPVSA-N 468.627 2.425 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](C)c1nc(C)cs1)[C@@H]1CCS(=O)(=O)C1 1286382626 SRPVETQYLDMGMS-NVXWUHKLSA-N 499.622 2.121 30 10 JEEE C#CCN(c1nnc([C@@H](C)CC)n1CC1(SC)CCN(C)CC1)[C@@H]1CCS(=O)(=O)C1 1286385941 RMFLLPIXRHLMAI-ZWKOTPCHSA-N 453.678 2.246 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](C)N(C)C1CC1)[C@H]1CCS(=O)(=O)C1 1286388416 OTGUNIFVBJFKSJ-QAPCUYQASA-N 463.007 2.103 30 10 JEEE C#CCN(c1nnc(Cn2ccc3ccccc32)n1C[C@@](C)(O)C(C)C)[C@H]1CCS(=O)(=O)C1 1286393823 SEXADAGUKRGRGU-GBXCKJPGSA-N 469.611 2.315 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(OC)ccc2Br)n1C[C@@H]1CCS(=O)(=O)C1 1286402966 ZSGKQRMGLISWPD-HNNXBMFYSA-N 477.384 2.224 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc(N(CC)CC)nc2)CC1 1286472793 LBWGLOWQGGUEFJ-SANMLTNESA-N 481.645 2.363 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccc(SCC)c2)CC1 1286480404 NRAMIBQWRCUPCC-IBGZPJMESA-N 459.641 2.096 30 10 JEEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](OC)c2ccc(Cl)cc2)CC1 1286483420 KEHCVZHILTWOEU-HXUWFJFHSA-N 456.978 2.197 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H]2CCOC[C@@H]2OC)CC1 1286489584 YGZZXQNVVUTRLL-MOPGFXCFSA-N 472.977 2.011 30 10 JEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)c2ccsc2)CC1 1286505441 ZXCVWJCOKYZQRV-KRWDZBQOSA-N 458.613 2.010 30 10 JEEE C=CCCOCCn1c(N2CC(=O)N(C)C[C@@H]2C)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1286714766 VYTZPGHOCQOLKU-OKZBNKHCSA-N 462.595 2.308 30 10 JEEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1286777000 RHVKYTPPMDRANZ-UHFFFAOYSA-N 458.573 2.162 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 1286821438 KZEMXHISMMQCND-UHFFFAOYSA-N 459.616 2.101 30 10 JEEE CCCC(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCOCC2)C1 1293783381 DPANJIRFFGVUMT-HXUWFJFHSA-N 466.586 2.491 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCCN2C[C@@H](C)C[C@@H](C)C2)CC1 1300710856 OBDNSUOGQVOPLS-BJESRGMDSA-N 458.651 2.125 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1300884472 KSRZBBCCQJIEPJ-BQFCYCMXSA-N 484.523 2.105 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCc2ccccc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1300893475 ZRHOTFZTUWJKPC-AKFKNWHVSA-N 453.587 2.386 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(OCC)cc2)CC1 1301086345 INTHOXFHHJVCGX-FQEVSTJZSA-N 461.588 2.214 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCC2CCOCC2)CC1 1301125553 PEOHZGVLYUHMTN-FQEVSTJZSA-N 467.636 2.220 30 10 JEEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1301249041 ORTMWRMTUFVSJI-UHFFFAOYSA-N 453.547 2.444 30 10 JEEE C=CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CCC1(O)CCOCC1 1301422477 MGOOAPFGFNZQIX-UHFFFAOYSA-N 454.531 2.164 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1301514295 ITERSJWDOCRRNQ-HXUWFJFHSA-N 475.615 2.180 30 10 JEEE C=CCNC(=O)Cn1c(N2CCO[C@@H](c3ccc(F)cc3F)C2)nnc1[C@]1(OC(C)C)CCOC1 1301520834 QJHDCBHBLDIINP-YKSBVNFPSA-N 491.539 2.477 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CCc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1358957487 VETFDTJSWNUYQV-URXFXBBRSA-N 472.611 2.108 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@H](C)N1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1358965091 NNZJFXNXJHPDLG-UNMCSNQZSA-N 470.643 2.011 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccnc(C(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 1358968100 ZIZUWYVVIYROQH-HZPDHXFCSA-N 469.489 2.218 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CCc2ccccc21 1358979236 HFNBVJLBJUOOAR-WXVAWEFUSA-N 491.592 2.493 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H](c2cccs2)N(C)C)CC1 1359029980 LVTKYQZSLSLSLS-GBXCKJPGSA-N 472.659 2.438 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C3(c4ccccc4)CCC3)n2CCS(=O)(=O)CC)CC1 1359041818 JOUASKKNJIFMRJ-UHFFFAOYSA-N 483.638 2.149 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCCN2CCC(C)CC2)CC1 1359043193 KXVXVFPDUGORDB-UHFFFAOYSA-N 451.619 2.371 30 10 JEEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC(S(C)(=O)=O)CC1 1359052894 UICLQQBUFOQDSY-UHFFFAOYSA-N 464.613 2.342 30 10 JEEE C=C(Br)Cn1c(N2CCC[C@@H](CC(N)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1359088272 GLWFSZKIZRPXNQ-KXBFYZLASA-N 456.385 2.319 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccnc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1359097284 NFXVHJAJQCKNMW-ICSRJNTNSA-N 460.604 2.182 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(C)cc1N1CCOCC1 1359107114 CQDDXJMSXYCOSW-IBGZPJMESA-N 476.647 2.484 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1359118636 SMJDXZDNCMGVSS-VQTJNVASSA-N 461.588 2.156 30 10 JEEE C=C(C)COCCn1c(-c2ccc(OC)cc2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1359129433 BTSLLMOTRMBMNC-FQEVSTJZSA-N 468.558 2.313 30 10 JEEE C=C(Cl)Cn1c(COc2ccc(OC)cc2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1359156061 UBCMZBHRIMLIQV-JOCHJYFZSA-N 474.949 2.433 30 10 JEEE C=CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1359201126 DDOAREDVXFWTPN-UHFFFAOYSA-N 499.641 2.409 30 10 JEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1359202860 CYYPNAKBGULZJM-IRXDYDNUSA-N 494.584 2.040 30 10 JEEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2c(F)ccc(F)c2C1 1359227592 FRLBLTMONHVGAK-HXUWFJFHSA-N 497.568 2.045 30 10 JEEE C=CCCOCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](CC(N)=O)C1 1359228295 ZDBUHICGUJYEEF-MOPGFXCFSA-N 492.621 2.271 30 10 JEEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCC(CC(F)(F)F)CC1 1359298461 ADYLGUMBSHUGIQ-UHFFFAOYSA-N 454.453 2.477 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1359328450 DMZOZIONJZOARW-QGZVFWFLSA-N 498.696 2.500 30 10 JEEE CC(C)(C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1359492195 DSRNFUBAUYNZLS-PMACEKPBSA-N 452.559 2.363 30 10 JEEE CC(C)(C)OC(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N(CCS(C)(=O)=O)C1CC1 1359572895 BFCLCVGMNARQPG-UHFFFAOYSA-N 474.587 2.355 30 10 JEEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C 1360475996 GOHKXNGLELUCAN-IKGGRYGDSA-N 466.608 2.318 30 10 JEEE C[C@@H]1CC[C@@H](C)N1CCN1CCN(S(=O)(=O)c2ccc(C#N)c(Br)c2)CC1 1463000598 FOTHZEBPAJOTAK-HZPDHXFCSA-N 455.422 2.500 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1ccccc1OC 1507588847 ROYIUSVRWOUABN-FPOVZHCZSA-N 473.599 2.375 30 10 JEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@](C)(O)c1cccs1 1507606808 XVWPVQUYWOXXHJ-OAQYLSRUSA-N 459.597 2.234 30 10 JEEE C#CCN(C)c1nnc(COc2ccc(Br)cc2)n1CC(=O)NCC(F)(F)F 1507618324 LNZCUQSICDXMDQ-UHFFFAOYSA-N 460.254 2.368 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1507624793 DJVIMGKVVYVIJE-NVXWUHKLSA-N 466.991 2.469 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@@H]1OCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1507628470 WUOFHUAXULIDOH-QUCCMNQESA-N 458.584 2.396 30 10 JEEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1C[C@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1507641038 YFSQJKOBMDVECW-WIYYLYMNSA-N 474.583 2.062 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2CCCCN2CCC[C@H]2CO)CC1 1507724024 DIAGTZNNOHOBBM-DEOSSOPVSA-N 450.631 2.169 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2Cc2ccc(C#N)o2)CC1 1507735084 JWFYQESWFFCVHU-UHFFFAOYSA-N 474.521 2.441 30 10 JEEE C#CCSCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1507749512 ZGTIYJVXWCGEEN-GOSISDBHSA-N 498.609 2.192 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(c2ccccc2)CC1 1507750833 FVYUXHONMQRGPK-LJQANCHMSA-N 459.641 2.263 30 10 JEEE C#CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1507755504 AGADSTLOIOELBX-IBGZPJMESA-N 452.584 2.409 30 10 JEEE C=CCN(CCOC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@H]1COCCO1 1508041510 OQBOPTPRUBPRDC-GOSISDBHSA-N 468.558 2.290 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)CC(C)C)cc1 1508100597 MBNJLSNKFSXBKA-FQEVSTJZSA-N 463.604 2.316 30 10 JEEE C[C@H](C#N)CN(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc2c(c1)C(=O)NCC2 1508426422 GBZCDKVQDZDCDZ-OAHLLOKOSA-N 463.567 2.200 30 10 JEEE C[C@H](CC#N)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1CN1CCOCC1 1509938387 GNZCAKIPPLQMDZ-LJQANCHMSA-N 451.575 2.133 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1CC[C@@]1(O)C[C@H]2CC[C@H]1C2 1510153140 COTHERYYEAMPGH-VHTOSUDKSA-N 472.615 2.338 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@H]1N(C)CCCC1(C)C 1510186745 HRTOJVOXRVBKKW-FUHWJXTLSA-N 451.641 2.139 30 10 JEEE CO[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1)C(C)(C)C 1517795610 GLJDVAATHYZYIW-LJQANCHMSA-N 466.590 2.168 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@@H]1CCC[C@@]2(CCOC2)O1)[C@@H]1CCS(=O)(=O)C1 1539219538 LGOUCTCMIGPMCF-MSYCTHLASA-N 464.632 2.222 30 10 JEEE C#CCN(c1nnc(C2CCC2)n1Cc1cccnc1OCC(F)F)[C@@H]1CCS(=O)(=O)C1 1539220252 HROWSJLWRWLNCN-QGZVFWFLSA-N 465.526 2.260 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCN1CCCC[C@H]1CC)[C@@H]1CCS(=O)(=O)C1 1539222852 XLALKVRXEMXWMS-NJDAHSKKSA-N 463.648 2.063 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@@]1(O)CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1539226428 XQXPGPKOSZIUOZ-CPJSRVTESA-N 486.638 2.445 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1ccccc1C)[C@@H]1CCS(=O)(=O)C1 1539229411 CFRJNVNTFUJAFJ-OAQYLSRUSA-N 452.584 2.123 30 10 JEEE C#CCN(c1nnc(COc2ccccc2CC)n1C[C@](C)(O)C1CC1)[C@H]1CCS(=O)(=O)C1 1539231199 SYLRUHHKOZMHIR-RDPSFJRHSA-N 472.611 2.207 30 10 JEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](CC)N1CCCC1 1539258106 PWFKBKHMNYKSAE-IBGZPJMESA-N 453.616 2.185 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCNC(=O)c1cccs1 1539268186 ICGSJDNHFLJEDF-GOSISDBHSA-N 498.609 2.151 30 10 JEEE C#CCN(CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@H]1CCOC[C@@H]1OC 1539377203 MRENHMIRVICMAM-VWNXMTODSA-N 466.630 2.154 30 10 JEEE C#CCSCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1539497125 KKCNZMPOBIPRCI-UZLBHIALSA-N 461.563 2.265 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCC2 1539517121 IWKWPRHBKQRYOJ-FGTMMUONSA-N 452.646 2.331 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@@H](C)CC(N)=O 1539621078 PHMSVUPUEIFQCA-VPWXQRGCSA-N 461.588 2.030 30 10 JEEE C=CCN(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@]1(O)CCS(=O)(=O)C1 1540057751 GPRZOSXRQCWWGE-JOCHJYFZSA-N 458.540 2.289 30 10 JEEE C=CCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1540856210 ACKQWAQYJJLGGI-IBGZPJMESA-N 454.575 2.281 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN2CCCC[C@H]2C1 1540870006 CBHSJDQWUODCSL-UXHICEINSA-N 487.649 2.369 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCn2ccnc2C)C1 1540885191 DDPPLPHKLZFWJK-HXUWFJFHSA-N 485.614 2.182 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCOC2(CCCC2)C1 1540907386 VCBYUNLNQTUIBT-UHFFFAOYSA-N 471.583 2.479 30 10 JEEE COc1ccc(C[C@H](C)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1OC 1543120654 CGOPDVIJVLIVKB-KRWDZBQOSA-N 457.552 2.287 30 10 JEEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCC(=O)N(C)C)C[C@]2(CCO[C@@H]2C)O1 1545057685 AEVYENPDIBDIRC-RRQZXNHTSA-N 482.585 2.370 30 10 JEEE CNC(=O)[C@@H]1CN(C(=O)c2noc(C)c2COC)CCN1c1ccc(C#N)c(C(F)(F)F)c1 1548367710 IBBYGDCYUSQTDV-KRWDZBQOSA-N 465.432 2.097 30 10 JEEE Cc1cc(C(=O)N2CCC3(CC2)CN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@@H]3C(N)=O)n(C)n1 1548377754 XUJSFZPFUNXVDR-GOSISDBHSA-N 474.487 2.463 30 10 JEEE COCc1ccc(C(=O)OC)cc1S(=O)(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 1561094219 DNTFXEZDDZDPLZ-UHFFFAOYSA-N 457.552 2.388 30 10 JEEE C=CCc1cc(CNC(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F)cc(OC)c1OC 1562780801 MUPBJXBHAGTNMI-OAHLLOKOSA-N 453.483 2.054 30 10 JEEE C=CCN1CCC(NC(=O)[C@@]2(C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CCO2)CC1 1585285262 ZXDSVJKMRKGYTQ-HSZRJFAPSA-N 453.580 2.101 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC(C)(C)OC)[C@H]1CCS(=O)(=O)C1 1588035415 UETQPBDNVAONKM-KRWDZBQOSA-N 492.598 2.023 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H]1CCCOC1)[C@@H]1CCS(=O)(=O)C1 1588040975 TUFOUOLWGKGOKT-ZWKOTPCHSA-N 474.583 2.016 30 10 JEEE C#CCN(c1nnc(-c2cccc3cccnc23)n1CCNC(=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1588045706 PDDABXMGBWUIFH-IBGZPJMESA-N 494.621 2.282 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@@H]1CC(F)(F)CO1)[C@@H]1CCS(=O)(=O)C1 1588070216 XIWBYBDZJORNHW-AEFFLSMTSA-N 484.500 2.047 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(OC(F)F)c(F)c2)CC1 1588733419 RXEPKULMIMWCBR-UHFFFAOYSA-N 462.476 2.058 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC(=O)NCCc2ccccc2)CC1 1588780097 HNCUSSSSDKZLRA-UHFFFAOYSA-N 463.973 2.108 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCc2cccc(C)c2)CC1 1588891146 LZJYGAMIAYFHGU-AREMUKBSSA-N 465.598 2.447 30 10 JEEE C#CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(c2ncccn2)CC1 1588975947 NLWWCYRLTPLHDA-UHFFFAOYSA-N 497.028 2.345 30 10 JEEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1593757545 HXLOELPGYOCPIC-LJQANCHMSA-N 480.660 2.231 30 10 JEEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC2(CCCC2)C1 1594812494 GTTDTCLOBCVULT-IBGZPJMESA-N 467.636 2.364 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C(C)C)N2CCOCC2)C1 1595674465 QBCLLEDFMFTZKQ-WOJBJXKFSA-N 469.590 2.064 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@@H]1CC 1595788536 BYSVVBOYQMYMDI-INIZCTEOSA-N 466.633 2.218 30 10 JEEE CC(=O)NCC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(C(N)=O)CCCC2)CC1 1596616474 ARFZGIIUPDCFQR-UHFFFAOYSA-N 479.585 2.127 30 10 JEEE N#Cc1cccc(-c2ccnc(N[C@@H]3CO[C@H]4[C@H]3OC[C@H]4NC(=O)c3ccc4c(c3)OCO4)n2)c1 1616133416 UKDFHKHNOGMMRR-NNLJWKLDSA-N 471.473 2.121 30 10 JEEE C#Cc1ccc(CNC(=O)N2CCCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc1 1635422613 YCAIQMIIBLIDHL-UHFFFAOYSA-N 455.536 2.045 30 10 JEEE C#CC[C@@H](NCC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1)c1ccccc1 1645099831 FHGHKOIZNNEYBH-HSZRJFAPSA-N 453.564 2.076 30 10 JEEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)Nc1ccc(S(C)(=O)=O)c(C(F)F)c1 1670201646 GAJYMPZWMNSMQH-LBPRGKRZSA-N 450.471 2.432 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2C[C@@H]2CCCS(=O)(=O)C2)c1 1689873730 UXZDVSDJAROUNO-AZUAARDMSA-N 471.583 2.011 30 10 JEEE C#CCCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1689906585 OSCDYGZIJFQESB-QGZVFWFLSA-N 473.002 2.174 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H](c1cccc(F)c1)N(C)C)[C@H]1CCS(=O)(=O)C1 1689986784 XARHZYDCSWSDCE-PZJWPPBQSA-N 470.574 2.342 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1CCC1CCN(CC(F)(F)F)CC1 1690045347 JYAXXALERXCMRN-GOSISDBHSA-N 450.509 2.357 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2C[C@H]2CCOC[C@H]2OC)CC1 1690140388 XENZPFSBRNYMDR-WIYYLYMNSA-N 455.534 2.102 30 10 JEEE C=C(Br)Cn1c(-c2cc(Br)cn2C)nnc1N1CCNC(=O)CC1 1690221024 JCVACDDUWSXMBM-UHFFFAOYSA-N 458.158 2.281 30 10 JEEE C=C(Br)Cn1c(-c2noc3c2COCC3)nnc1N1CCC(CNC(C)=O)CC1 1690226791 MIMXVNOAGGEKDO-UHFFFAOYSA-N 465.352 2.267 30 10 JEEE C=C(C)COCCn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1690302405 DIPMMPGENSBMQS-UHFFFAOYSA-N 474.993 2.364 30 10 JEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2ccccc2)C1 1690485485 UUYIRSNYZUHKLI-WOJBJXKFSA-N 461.588 2.155 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1)C(C)C 1690581622 VOHMIFFICKTQMJ-BHIFYINESA-N 471.650 2.427 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1690661717 DWDPSPWPYXGRTR-MRXNPFEDSA-N 492.422 2.089 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(C)=C(C)C1 1690662602 BFXUEPBMIMDWBJ-UHFFFAOYSA-N 458.588 2.044 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1CCN(c2ccnc(C)n2)CC1 1690676837 GCGKQUFZRDTASL-UHFFFAOYSA-N 494.625 2.306 30 10 JEEE C#CCCCn1c(COc2cccc(C)c2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1705538085 CKUZBWJMMNKDPG-HXUWFJFHSA-N 450.587 2.368 30 10 JEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCN(C)CC(F)(F)F 1705551374 MOGJIGBADQRBNF-OAHLLOKOSA-N 460.501 2.150 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1CCCn1nc(C)cc1C)[C@H]1CCS(=O)(=O)C1 1705563875 HHTKJBUNGBXCAY-FQEVSTJZSA-N 482.610 2.484 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCc1ccc(F)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1705571685 FWTMFQYXGKUWCE-VQIMIIECSA-N 450.511 2.277 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)Oc2cccc(F)c2)CC1 1705644038 XDZWNDREQBIMOQ-GOSISDBHSA-N 482.560 2.087 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CC2(COC)CCOCC2)CC1 1705647809 LTCABSUCOHJWTH-UHFFFAOYSA-N 466.586 2.058 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cn(C)c4ccccc34)n2CCS(=O)(=O)CC=C)CC1 1705649065 IZQWXNDJEBOCOL-UHFFFAOYSA-N 494.621 2.003 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@@H]2CCN(CC(F)(F)F)C2)CC1 1705649138 LRVGYHBTJBCANY-QGZVFWFLSA-N 475.519 2.190 30 10 JEEE C#CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(CCOCC)CC1 1705662197 SIPUHZDILQJXLZ-OAQYLSRUSA-N 457.600 2.316 30 10 JEEE C=C(Cl)Cn1c(Cc2cccnc2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1705756687 KTVPPCGDCXMHSL-DYESRHJHSA-N 458.010 2.395 30 10 JEEE C=C1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCS(=O)(=O)NC(C)C)CC1 1705767529 NXAUATHVIUKNRG-UHFFFAOYSA-N 457.560 2.078 30 10 JEEE C=CCC(C)(C)Cn1c(COc2ccccc2CC)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1705802375 JOKDLKJRFZOXED-LJQANCHMSA-N 466.586 2.169 30 10 JEEE C=CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1705835775 SZZHWXXVLRWANZ-YDHSSHFGSA-N 461.586 2.287 30 10 JEEE C=CCn1c(-c2ccc(Br)s2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1705887674 UTIFDIKWRNPQTM-LLVKDONJSA-N 451.350 2.428 30 10 JEEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1705892296 TTXBJESJDPRLSG-UHFFFAOYSA-N 454.516 2.085 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 1705905183 NDGUDCVFQBPEGJ-UHFFFAOYSA-N 465.602 2.041 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CC[C@@H](N2CCCCC2)C1 1705906638 LBCFSDCXQWITIY-LJQANCHMSA-N 454.575 2.233 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1705930320 KUNWLCKQTIGXSL-AUSIDOKSSA-N 457.600 2.280 30 10 JEEE CC(C)(C)NC(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(C#N)CC1 1706153136 FXLPFLNWKWHFNV-UHFFFAOYSA-N 465.606 2.497 30 10 JEEE CC(C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1706633368 CMNRSPMGLJCZHM-NRFANRHFSA-N 463.586 2.474 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1cccc(Cn2cccn2)c1 1706878416 GBWHUKZJIDXSEV-MBSDFSHPSA-N 482.614 2.311 30 10 JEEE CCC[C@H](C)C(=O)NCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1709457816 CANFKXIWLNOHQR-GHTZIAJQSA-N 481.601 2.418 30 10 JEEE CN(C)C(=O)[C@H]1CCCN1CCCn1c(COc2ccccc2F)nnc1N1CC[C@](F)(C#N)C1 1710973578 AGGRYCSIBUENHX-DVECYGJZSA-N 487.555 2.381 30 10 JEEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCC2CCOCC2)c1 1711017946 GCWUXSRGQUCIGQ-QFIPXVFZSA-N 476.578 2.454 30 10 JEEE CNC(=O)[C@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1cn2ccsc2n1 1711312769 HZCROOXZMMRKEM-OAHLLOKOSA-N 464.555 2.305 30 10 JEEE COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCOCC2(C)C)C[C@H](C)O1 1712283565 GFKMUJNMCMJWJG-GHTZIAJQSA-N 454.575 2.168 30 10 JEEE C#CCN(c1nnc(C2(c3ccccc3)CCC2)n1C[C@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1722366714 SHVBYBSULWQUFF-PZJWPPBQSA-N 455.628 2.325 30 10 JEEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1Cc1conc1COC)[C@@H]1CCS(=O)(=O)C1 1722372323 UIUQVSQWWGUPJF-HXUWFJFHSA-N 499.593 2.283 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2Cc2cccnc2OCC)CC1 1722432065 RWHSSRMHWKYZGH-UHFFFAOYSA-N 493.999 2.459 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CCN(C)c2ccccc2)CC1 1722448355 AJCIGADERDSTJQ-UHFFFAOYSA-N 457.582 2.366 30 10 JEEE C#CCSCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1722455551 SRSNQPGHAUUTPM-QGZVFWFLSA-N 471.583 2.148 30 10 JEEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(OCC(N)=O)CC1 1722528735 KLXHLHNMCBJGMP-UHFFFAOYSA-N 467.368 2.099 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)c1cccc(Cl)c1 1722672200 MBTNYHWNXUFPAG-SIKLNZKXSA-N 496.033 2.351 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(c2ccc(F)c(OC)c2)CC1 1722696261 HCEJBPJLFUEGTO-UHFFFAOYSA-N 451.506 2.117 30 10 JEEE CCC(O)(CC)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1727283090 DTYATEITFRAHEO-UHFFFAOYSA-N 457.554 2.305 30 10 JEEE CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N(C)Cc1cccc(C#N)c1 1729206891 HEZHLRXBKRKDFL-UHFFFAOYSA-N 463.567 2.459 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCN1CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1740619558 KGUCZVDYJVINON-ICSRJNTNSA-N 457.600 2.065 30 10 JEEE C#CCN(c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@H]1CC=CCO1)[C@@H]1CCS(=O)(=O)C1 1740619943 MYWCWYQSUPJNQC-WOJBJXKFSA-N 486.594 2.324 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CC(C)(C)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1740629261 HLYDYFXOWLTSFM-XHSDSOJGSA-N 478.537 2.217 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCCCN2CCC[C@@H](C)C2)CC1 1740692682 ODAKQTPXXCYLJM-RDGATRHJSA-N 458.651 2.198 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H]2CCCN(C(C)C)C2)CC1 1740692863 PYFYPNUTVDTDFA-WIOPSUGQSA-N 458.651 2.194 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCc2ccc(OC)cc2)CC1 1740703295 MUZHPACCZNFLMX-SANMLTNESA-N 481.597 2.147 30 10 JEEE C=C(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC(NS(=O)(=O)CC)CC1 1740781869 GLINUVBSNVIWMI-UHFFFAOYSA-N 485.614 2.159 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1740987646 WLZRVMAPXQXZJZ-MAUKXSAKSA-N 454.980 2.439 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCC[C@H](NC(C)=O)C1 1740990371 SHXSUNACAQNVSR-SFHVURJKSA-N 470.599 2.143 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1740992284 OEOZWSWQJWUWPE-MRXNPFEDSA-N 465.624 2.042 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCO[C@@H](c3ccccc3C)C2)nnc1[C@]1(OCC)CCOC1 1740995607 RCLIGBKUYJDXMM-QPPBQGQZSA-N 490.626 2.417 30 10 JEEE CC(=O)N1CCN(CCn2c(-c3cccc(C#N)c3)nnc2N2CCC=C(Br)C2)CC1 1741056717 UOJFBMIGCZHYKQ-UHFFFAOYSA-N 484.402 2.470 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cccc(C(=O)NC)c1 1748670829 CLDIECCPQMJNMW-FXAWDEMLSA-N 482.585 2.452 30 10 JEEE COc1ccc(CCn2c(C(=O)NC(C)C)nnc2N2CCC(C#N)CC2)c(OC)c1OC 1748733119 FIXOLQWMZJOVCC-UHFFFAOYSA-N 456.547 2.425 30 10 JEEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1748752475 XWWTUXQJCIMMDH-JXQFQVJHSA-N 475.590 2.384 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1Cc1nnc(CC)s1)[C@H]1CCS(=O)(=O)C1 1748810677 ZLGPFIFGPXQZGI-INIZCTEOSA-N 472.596 2.043 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H]1CCCN(C(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1748812648 YPHDMEHKQHZGBO-VQTJNVASSA-N 456.616 2.087 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1748814847 KBGSZEFDPGJKKY-TUFLPTIASA-N 493.674 2.034 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@@H](C)N(C)C1CC1)[C@H]1CCS(=O)(=O)C1 1748823775 BJSFSGCNNIPKDJ-XLIONFOSSA-N 475.590 2.106 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc(C)o3)n2C[C@H]2NC(=O)CC2(C)C)n1 1748970972 YTJZKNQBPNGLEV-HXUWFJFHSA-N 465.558 2.244 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2CC2CCN(CCN(C)C)CC2)CC1 1749010303 LOYMATTUNBPQSF-UHFFFAOYSA-N 477.657 2.185 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccc2OC)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1749123117 AXXFFINRIPHGMJ-WAOWUJCRSA-N 475.615 2.405 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1749229364 JXHLCPUEBISRJY-JOCHJYFZSA-N 474.650 2.289 30 10 JEEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1CCC[C@H](C)C1 1749229937 RFMHRNVNFBZULG-FHWLQOOXSA-N 455.625 2.219 30 10 JEEE C=CCOc1ccccc1Cn1c(N2CC(=O)N(C)[C@H](C)C2)nnc1[C@@]1(OCC)CCOC1 1749689878 OCYBZOMIZKJWAD-HOYKHHGWSA-N 455.559 2.210 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cn2ccc3ccccc32)nnc1N(C)Cc1cnccn1 1749738104 FSNDVAGNLNSGJN-UHFFFAOYSA-N 451.556 2.308 30 10 JEEE CC(C)C(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2(CS(C)(=O)=O)CC2)CC1 1750544752 DXDABWQNJGHXOO-UHFFFAOYSA-N 484.626 2.336 30 10 JEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C(=O)N(C)c2ccccc2)C1 1760130237 GCHUVYUWLQEPIB-RBUKOAKNSA-N 472.615 2.181 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@](C)(O)c1cc(C)oc1C)[C@@H]1CCS(=O)(=O)C1 1760186313 BNTRAHNLVBXPTQ-RFWXGWTQSA-N 476.599 2.264 30 10 JEEE C#CCN(c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@](C)(O)CCOC)[C@@H]1CCS(=O)(=O)C1 1760190470 WQACCRUPHTVWOA-DVECYGJZSA-N 499.593 2.014 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(C3CCC3)n2Cc2ncnn2C(C)(C)C)n1 1760252304 MZGALWMDOUOCIQ-UHFFFAOYSA-N 451.579 2.423 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@@H]2CC[C@H](CO)O2)CC1 1760265934 MFBFRFPFUVWPLJ-YZGWKJHDSA-N 485.560 2.063 30 10 JEEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1760280162 NINMQBYMGLXXIV-UHFFFAOYSA-N 467.643 2.149 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1760315117 ALWVTADAUUOBAB-IMJJTQAJSA-N 493.552 2.217 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)NC)CC1 1760326340 WDVOMKRXARMOMX-KNQAVFIVSA-N 465.558 2.171 30 10 JEEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1760354960 UJNAIQXCVBUVBU-UHFFFAOYSA-N 450.609 2.127 30 10 JEEE C=CC[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCNC(=O)[C@H]1CC)c1ccccc1 1760418759 XOTWWBQYMBQEAT-HSALFYBXSA-N 457.600 2.255 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1760517955 CXJDNNOOWQDXAS-OAHLLOKOSA-N 499.012 2.148 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)C[C@H]1CCCOC1 1760552948 HBUFWTDWVXEREA-QGZVFWFLSA-N 462.572 2.180 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CCO[C@@H](C(C)C)C1 1760558282 LBQUUQAQGYWNFA-LJQANCHMSA-N 452.552 2.458 30 10 JEEE Cc1nnc2sc(CCC(=O)N[C@H](Cc3ccc(O)cc3)C(=O)Nc3ccccc3C#N)nn12 1867041842 KBDUOMSKYHBQIK-LJQANCHMSA-N 475.534 2.370 30 10 JEEE C=CCN(CC=C)C(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)C1CCC(N2CCN(C)CC2)CC1 1869060758 CFDXIRPLDBSMQW-OOEPIQFGSA-N 468.642 2.426 30 10 JEEE C=CCn1cc(OCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])c(=O)cc1CN1CCC(CO)CC1 1870696844 QSXDCXPCWMZVDG-UHFFFAOYSA-N 486.525 2.173 30 10 JEEE COc1ccc(/C=N/n2c(Cc3ccc(OC)c(OC)c3)nnc2SCC(N)=O)cc1OC 1874238069 PJJPJHWEIMDXGE-WYMPLXKRSA-N 471.539 2.363 30 10 JEEE CCCOC(=O)CSc1nnc(CC)n1/N=C/c1ccc(OCCN2CCOCC2)c(OC)c1 1874529145 UKNBKCOQPAIMNL-LFVJCYFKSA-N 491.614 2.488 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)CSc2nnc(COc3ccc(OC)cc3)n2N)nc1C 1874549793 FDTCLMXHPJMEMX-UHFFFAOYSA-N 490.567 2.418 30 10 JEEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)N3CCN(c4nccc(N5CCOCC5)n4)CC3)n[nH]2)c1C 1890190041 SSXVGYYNXUWVDY-UHFFFAOYSA-N 491.600 2.055 30 10 JEEE COc1cccc(-n2nnc3c(N4CCN(C(=O)c5ccc(C#N)cc5F)CC4)ncnc32)c1 1891126240 WFVSSEVHQAHLQB-UHFFFAOYSA-N 458.457 2.192 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CC(NS(=O)(=O)CC2(C#N)CC2)C1 2250344156 PPTCSHJCYKJHDJ-UHFFFAOYSA-N 458.581 2.066 30 10 JEEE C=C(CS(=O)(=O)Nc1n[nH]c([C@@H](C)NC(=O)OC(C)(C)C)n1)B1OC(C)(C)C(C)(C)O1 2255802451 ZDHDMZXVDJVJES-GFCCVEGCSA-N 457.362 2.320 30 10 JEEE CC(C)(C)OC(=O)N[C@]1(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C[C@H](CO)C1 2256666778 WAOLATHWJQSHAO-KWUMSVIQSA-N 453.370 2.047 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1COC[C@H]1NC(=O)c1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2266987926 HZFHVKLLHKWHMS-SJORKVTESA-N 450.316 2.147 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1CCCN(C(=O)C(F)(F)F)C1 2267138336 UJBSBPIRCGHQQH-LBPRGKRZSA-N 461.315 2.281 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](NC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)CCO1 2267149711 ARZMWITVLYBECZ-UONOGXRCSA-N 467.397 2.244 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)c(F)c2)C1 2267362025 LNGKPHUBPAYCQV-CQSZACIVSA-N 470.372 2.413 30 10 JEEE COCCCCN(Cc1ccccc1)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2267370082 GPLYVIRWFFDKSZ-UHFFFAOYSA-N 463.409 2.337 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H]1NS(=O)(=O)Cc1ccccc1B1OC(C)(C)C(C)(C)O1 2267473203 BGFUBQQUCKXGCL-FUHWJXTLSA-N 466.409 2.318 30 10 JEEE CC(C)N(CCCNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)C(=O)OC(C)(C)C 2267491408 CQJBIWZAUMPUHX-UHFFFAOYSA-N 450.389 2.485 30 10 JEEE CN(CCCCN(C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)C(=O)OC(C)(C)C 2267496887 FXZGGQIVJAQWFS-UHFFFAOYSA-N 450.389 2.438 30 10 JEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CCO1 2267511227 ZBTCPVVIIAYOEP-HNNXBMFYSA-N 450.341 2.253 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)O 2268639816 SABUKXQHSILTER-CXAGYDPISA-N 450.341 2.207 30 10 JEEE CC(C)(C)OC(=O)N1[C@H](CNC(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)C[C@H]2COC[C@H]21 2281825419 SEEAIIOONMMKII-BHYGNILZSA-N 462.352 2.333 30 10 JEEE Cn1nc(C(=O)N[C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)cc1B1OC(C)(C)C(C)(C)O1 2281972946 OTXQBVCHLKIMBZ-SLFFLAALSA-N 450.392 2.360 30 10 JEEE Cc1c(C(=O)N[C@@H]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281985329 IZZXBLAYMPJPGR-HZPDHXFCSA-N 462.400 2.451 30 10 JEEE CCn1cc(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 2282007482 CFDPSYQHULIFNL-LSDHHAIUSA-N 466.363 2.280 30 10 JEEE CC1(C)OB(c2cnc(C(=O)N3[C@H]4CC[C@H]3CN(C(=O)C(F)(F)F)C4)c(Cl)c2)OC1(C)C 2282059932 PHDQGWAXSWZIJD-STQMWFEESA-N 473.688 2.412 30 10 JEEE CC(C)(C)OC(=O)N[C@](C)(CO)CNC(=O)c1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1F 2282075176 ZKVLFQUGNNMSEF-QFIPXVFZSA-N 470.322 2.270 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)CN(C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)C2 2282184224 PUYAVHVUKYIBTM-IYBDPMFKSA-N 458.368 2.105 30 10 JEEE COCC1(NC(=O)c2nc(C)ccc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2282545218 HXLPXDSWJIETGY-UHFFFAOYSA-N 461.368 2.055 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@]2(NC(=O)OC(C)(C)C)CCOC2)n1 2282550673 BVLHLLVMDOYHIO-QHCPKHFHSA-N 461.368 2.103 30 10 JEEE CN(CC1CCN(C(=O)OC(C)(C)C)CC1)C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2282553907 VVECUXCSDWHSLS-UHFFFAOYSA-N 462.400 2.438 30 10 JEEE CC(C)[C@H]1[C@H](NC(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2282559905 RTMRCGSZRBILJO-SJORKVTESA-N 462.400 2.483 30 10 JEEE Cn1cc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C3(CCC3)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2282576656 UBBRAIICGWDNBE-HNNXBMFYSA-N 460.384 2.381 30 10 JEEE Cn1cc(C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C(C)(C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2282578466 RWUIPDCJPVJPGR-INIZCTEOSA-N 462.400 2.485 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H](C)[C@@H](CNC(=O)OC(C)(C)C)C1 2282582225 TYYMPLJPMSVZDR-CVEARBPZSA-N 462.400 2.435 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)C[C@@]12CCOC2 2282632044 GAUYJXYHOVGEFZ-NPMXOYFQSA-N 462.352 2.477 30 10 JEEE CC1(C)OB(c2cc(C(=O)N3CC4(CN(Cc5ccccc5)C4)C3)c(O)cc2O)OC1(C)C 2282988659 UUXUQAUTVIBKGV-UHFFFAOYSA-N 450.344 2.355 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C(F)(F)C1 2283062648 PFHPRZBYJUOMOQ-CYBMUJFWSA-N 468.310 2.150 30 10 JEEE Cn1cc(C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)nc1CNC(=O)OC(C)(C)C 2283963730 MHWDTPOTJIEPQA-UHFFFAOYSA-N 457.340 2.391 30 10 JEEE C[C@H](O)CN(CCNC(=O)OC(C)(C)C)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1O 2285348912 ZYGYXVQXPCBOFT-HNNXBMFYSA-N 464.368 2.039 30 10 JEEE CSC1(C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)CN(C(=O)OC(C)(C)C)C1 2315347818 UYUPAYVIYZVDRW-UHFFFAOYSA-N 469.438 2.411 30 10 JEEE Cc1scc(C(=O)NC2(CCO)CN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2343505113 COOYDGRZQQZPAJ-UHFFFAOYSA-N 466.409 2.457 30 10 JEEE COc1nc(N2CC[C@H](CO)[C@@H](NC(=O)OC(C)(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2365346593 WEXLCXLQKCWGJD-WBVHZDCISA-N 463.384 2.101 30 10 JEEE COCCn1cc(/C=N/Nc2nc(SCC(=O)Nc3nnc(SCC(C)C)s3)n[nH]2)cn1 59886984 BELZSPAWFWNGKZ-NGYBGAFCSA-N 496.648 2.424 30 10 JEEE C/C=C/C[C@@H](C)[C@@H](OC(C)=O)[C@H](C=O)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC)C(C)C 96029765 JAUFAMFQTMVIEO-YOIIRYCISA-N 453.624 2.321 30 10 JEEE in-vitro COc1ccc(CCN2C[C@@H](C(=O)Nc3c(C#N)cnn3-c3ccccn3)CC2=O)cc1OC 170525969 FAUOREIEJTWJNX-KRWDZBQOSA-N 460.494 2.186 30 10 JEEE C[C@@H](ON=Cc1c(F)cccc1F)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 254524721 URTWVRPRYDWNOX-CQSZACIVSA-N 453.467 2.363 30 10 JEEE CC[C@@H](C)NC(=O)CSc1n[nH]c(NN=Cc2ccc(OC)c(OCn3cccn3)c2)n1 1084095403 NGKYLGWKUDAFKY-CQSZACIVSA-N 458.548 2.499 30 10 JEEE Nn1c(NN=Cc2cc([N+](=O)[O-])ccc2O)nnc1SCC(=O)Nc1nc2ccccc2s1 1084456647 GVEAGFDKTFUQAK-UHFFFAOYSA-N 485.511 2.392 30 10 JEEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H](CO)Cc2ccc(C(F)(F)F)cc2)c1 1150260954 GJXOPSBGUNIFSV-INIZCTEOSA-N 454.470 2.198 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCC(C)(C)COC)[C@H]1CCS(=O)(=O)C1 1286391575 FBMLQUZAADZVPF-MOPGFXCFSA-N 452.621 2.252 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@@]1(C)CCCO1)[C@@H]1CCS(=O)(=O)C1 1286392432 GZZPFZUCZCYMQJ-AUSIDOKSSA-N 458.584 2.073 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1Cc1cc(C)on1)[C@@H]1CCS(=O)(=O)C1 1286398571 YTURORDRWPYRBM-HXUWFJFHSA-N 469.567 2.445 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2ccc(Br)cc2)CC1 1286471795 QXVCCGRUFHPYOW-UHFFFAOYSA-N 471.403 2.275 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCCCN2CCCC[C@H]2C)CC1 1286491950 BUQLTXRLSFSZHQ-IFMALSPDSA-N 456.635 2.402 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1286815187 NZDSIIVSMRZLDS-HZPDHXFCSA-N 452.920 2.313 30 10 JEEE CC(C)[C@H]1CCCN1c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CCS(=O)(=O)CC1 1287248649 FEZINKXYELZIOT-HXUWFJFHSA-N 473.599 2.293 30 10 JEEE C[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1)N1CCOCC1 1288606537 FTFYCTWJIRDHSA-LPHOPBHVSA-N 491.518 2.042 30 10 JEEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1CCN1CCCCC1 1288735186 ATSAZUZZCSOPBQ-GOSISDBHSA-N 460.604 2.084 30 10 JEEE CC[C@@H](C)c1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CCS(=O)(=O)N(C)C 1291562210 FHAUCMPIQOHSMH-GOSISDBHSA-N 459.620 2.271 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCSc1ccccc1)[C@H]1CCS(=O)(=O)C1 1300478847 DAKVRMFIMCZORL-SFHVURJKSA-N 496.618 2.344 30 10 JEEE C#CCN(c1nnc(-c2c[nH]c3ccccc23)n1C[C@](C)(O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1300491861 JHXPAMJATRUPNR-HXOBKFHXSA-N 455.584 2.460 30 10 JEEE C#CCN(CC#C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCNS(=O)(=O)CC 1300512353 INDMKYTUUJWPAS-UHFFFAOYSA-N 468.608 2.389 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1300569049 AMKWYGYKFOHORJ-GOSISDBHSA-N 475.557 2.297 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(C)C)n1Cc1cccnc1N1CCOCC1 1300642572 SSRJLENVKWFDIE-UHFFFAOYSA-N 491.571 2.475 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN1CC 1300650817 XUQNOJRRRDZPFI-FPOVZHCZSA-N 459.591 2.443 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2CCCS(=O)(=O)Cc2ccccc2)CC1 1300698383 RPOKPMQAHJUSEL-UHFFFAOYSA-N 478.622 2.409 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1300875307 OQHKOMIJDGHTDF-QRQLOZEOSA-N 467.636 2.191 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(OCC(N)=O)CC1 1300875341 MXMNPJJWCWQYQH-UZLBHIALSA-N 460.966 2.445 30 10 JEEE C=C(C)COCCn1c(Cc2ccccc2OC)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1300993869 KCNRJXSAJZXMJX-ZJSXRUAMSA-N 496.656 2.459 30 10 JEEE C=CC1CCN(c2nnc(-c3cc(Br)cn3C)n2CC2(O)CCS(=O)(=O)CC2)CC1 1301109589 MGTWGZHGCRWZPE-UHFFFAOYSA-N 498.447 2.388 30 10 JEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2ccc(F)cc2)C1 1301258024 JLQOQPXZVDBMLH-AZUAARDMSA-N 464.563 2.490 30 10 JEEE C=CCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1301454460 YGBHSXTUTZOVSK-UHFFFAOYSA-N 485.614 2.282 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCc2c(ccnc2N(C)C)C1 1301506734 QAYJLXRIXXYPMF-UHFFFAOYSA-N 461.570 2.203 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(C(=O)CC2CCCCC2)CC1 1301507070 VTADPOIFFZCBLX-UHFFFAOYSA-N 465.602 2.185 30 10 JEEE CS(=O)(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@H]2CCCCO2)C1 1302448775 FHGJHANZVLKCQI-QUCCMNQESA-N 459.572 2.311 30 10 JEEE N#Cc1ccc(-c2nnc(N3CCS(=O)CC3)n2Cc2cccnc2OCC(F)F)cc1 1302991124 AJGMALXRWUNWMP-UHFFFAOYSA-N 458.494 2.473 30 10 JEEE N#Cc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2CCN(CC(F)(F)F)C2)cc1 1316533129 DTBBVOUTYCTBGU-MJGOQNOKSA-N 475.475 2.342 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H](OC)C(C)C)[C@H]1CCS(=O)(=O)C1 1358959630 MOTRKBIPOMBSOO-RXVVDRJESA-N 474.583 2.014 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1CCc1ccc(F)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1358960320 BPNGISJBBCAYQA-GOSISDBHSA-N 457.506 2.488 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cn(C)c3ccccc23)n1CCN/C(O)=C1\N=CC=CC1=O 1359022712 KRJRJYJLIWOAGK-ZNTNEXAZSA-N 473.537 2.049 30 10 JEEE C#CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1Cc1cccc(C(=O)N(C)C)c1 1359026404 WZXLJXPARRXFQN-UHFFFAOYSA-N 471.565 2.353 30 10 JEEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1359048621 WWUNLYQQROPPDD-QFIPXVFZSA-N 459.620 2.048 30 10 JEEE C=C(C)COCCn1c(-c2ccc3ccccc3n2)nnc1N1CCN(S(C)(=O)=O)CC1 1359129654 IVFNTRATZDAMAX-UHFFFAOYSA-N 456.572 2.168 30 10 JEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(CN2CCCCC2)cc1 1359240380 MYDZUXKVFAHBEF-JOCHJYFZSA-N 488.658 2.267 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN([C@H](C)c2nccs2)CC1 1359296583 NSWLYISEXPPKJK-QGZVFWFLSA-N 462.583 2.459 30 10 JEEE C=CCNC(=O)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC(C)=C(C)C1 1359303022 BIFQPTOOSLPNHQ-UHFFFAOYSA-N 463.630 2.492 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@H](C(N)=O)C1 1359328171 WENPYPAKZMNDOG-HOTGVXAUSA-N 482.006 2.374 30 10 JEEE COC(=O)c1ccc(F)cc1S(=O)(=O)N1C[C@H](NC(=O)C(F)(F)F)CC[C@H]1C(F)(F)F 1464137036 GHUILNDDALZUIJ-SKDRFNHKSA-N 480.358 2.375 30 10 JEEE C[C@@H](CC(=O)NCCN(C(=O)OC(C)(C)C)C1CC1)/N=C1/NS(=O)(=O)c2ccccc21 1464773524 AANKYMATRPXSTK-AWEZNQCLSA-N 450.561 2.019 30 10 JEEE COc1ccccc1OC[C@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H](C)C#N 1504428325 HUHHJQUCIRTEOV-KURKYZTESA-N 461.588 2.500 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCC[C@H](O)C1 1504873611 IAJFSDAUNDIZLX-ACRUOGEOSA-N 452.559 2.305 30 10 JEEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(CNC(C)=O)CC1 1507559285 ZNQDUYDCTZOHSJ-UHFFFAOYSA-N 486.642 2.351 30 10 JEEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1Cc1cccc(CN2CCOCC2)c1 1507618169 IZAQFWIHFIGTDE-UHFFFAOYSA-N 464.595 2.220 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1CCSC1)[C@H]1CCS(=O)(=O)C1 1507628059 MVOVAQNUOGISDU-WMZOPIPTSA-N 476.624 2.342 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CC1(CCOCC)CC1)[C@@H]1CCS(=O)(=O)C1 1507633690 UOHKJVHHTLIMGC-RTBURBONSA-N 450.605 2.353 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1507652033 WVQCJMUCTNPBCI-SFTDATJTSA-N 459.598 2.477 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CCOC)CCCCC1 1507671692 OHOOANXCQQUIJP-NRFANRHFSA-N 491.658 2.061 30 10 JEEE C=CCC(C)(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN2C(=O)NC[C@H]2C1 1507912653 RRHREFDQYZIQRH-SFHVURJKSA-N 487.630 2.012 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)Nc2ccccn2)n1C[C@@]1(C)CN(C)C1=O 1507997266 QFIHRLKPUYXBCB-RUZDIDTESA-N 470.537 2.468 30 10 JEEE C=CCn1c(-c2cc(Br)cn2C)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1508049950 NVCYATLJTKENPA-LJQANCHMSA-N 492.466 2.463 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](SC)C(C)(C)C)C1 1508122542 FQMAQJGGCYHKIL-KZNAEPCWSA-N 487.692 2.170 30 10 JEEE COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@]2(N(C)C)CCSC2)cc1OC 1518165645 DVHYZMAKXKKCLJ-JTSKRJEESA-N 458.588 2.128 30 10 JEEE C=CCOc1cc(OC)ccc1C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 1521037907 DBXQQHCRUVAIRZ-SFHVURJKSA-N 453.543 2.285 30 10 JEEE C#C[C@@H](NC(=O)c1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1)c1ccc(Cl)cc1 1528062163 XTYCUQGXPJZLTC-OAQYLSRUSA-N 459.955 2.297 30 10 JEEE C#CCOc1ccc(C(=O)NC2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)cc1 1530271092 HUQUVZQLWXPIPY-UHFFFAOYSA-N 458.536 2.299 30 10 JEEE C#C[C@H]1CC[C@H](NC(=O)CCC(=O)N(CC(C)C)c2c(O)nc(=O)n(CCCC)c2N)CC1 1536951352 TUIQAPMAODKYJD-IYARVYRRSA-N 459.591 2.409 30 10 JEEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CC1(COC)CCCCC1)[C@H]1CCS(=O)(=O)C1 1539206399 ONUWTWPXSNHDSW-GBXCKJPGSA-N 494.658 2.154 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@H]1OCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1539213367 YIQFKKLUUKFYIM-LAUBAEHRSA-N 488.610 2.404 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CC(C)(C)OC)[C@H]1CCS(=O)(=O)C1 1539218807 DMFIICLQAMCGJH-HNNXBMFYSA-N 452.527 2.199 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1Cc1oc(CC)nc1C)[C@@H]1CCS(=O)(=O)C1 1539229764 HZWKZUCSXFFNLA-LJQANCHMSA-N 494.577 2.263 30 10 JEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2ccc(F)c(F)c2)C1 1539496257 FJCJUCXPULOEEL-KBXCAEBGSA-N 485.582 2.111 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccn2C)nnc1N1CCC(NS(=O)(=O)CC)CC1 1539626777 GJIWITFIOMWWLR-PXNSSMCTSA-N 462.620 2.173 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(F)c(F)c2)CC1 1539889704 ANEWSBNSPOAMDN-LJQANCHMSA-N 467.542 2.340 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCCN(CCC)C(=O)C1 1540874695 OORCZPOSIADKJT-UHFFFAOYSA-N 454.575 2.225 30 10 JEEE Cc1cc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(CCC#N)CC2CC2)ccc1F 1542208638 FOKRFXZTTMTJAX-HXUWFJFHSA-N 476.578 2.237 30 10 JEEE C#CC[C@@]1(C(=O)NCC[C@](O)(c2nccn2C)C(F)(F)F)CCCN1C(=O)OC(C)(C)C 1545043009 MIUUJBDFIPOXPI-PMACEKPBSA-N 458.481 2.469 30 10 JEEE C=C(C)C[C@H](CO)NC(=O)c1cccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c1 1558110853 RPAXMAVRBVRRHT-JOCHJYFZSA-N 457.596 2.250 30 10 JEEE CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 1561143736 BGMYAKRCTBWCHA-KBPBESRZSA-N 458.382 2.221 30 10 JEEE C=C(C)C[C@H](NC(C)=O)C(=O)N1CCN(CC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 1587267493 LGUCADDKIKYVEW-SFHVURJKSA-N 456.465 2.139 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CC(C)(C)CN(C)C)[C@@H]1CCS(=O)(=O)C1 1588034449 GFLGKRGNTDUVMV-LJQANCHMSA-N 459.616 2.168 30 10 JEEE C#CCN(c1nnc(-c2ccc3ccccc3n2)n1C[C@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1588045917 TWDWRGHGNLFREB-WZONZLPQSA-N 453.568 2.281 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@@H]1CCCN1CC)[C@H]1CCS(=O)(=O)C1 1588070002 VFFHHZNKSXOXAJ-PMACEKPBSA-N 475.590 2.107 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1C[C@@H](c1ccc(C)o1)N1CCOCC1 1588646397 JJBSQLFFUHPUPV-RTWAWAEBSA-N 457.575 2.233 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1c(F)cccc1SC 1588646406 JOFXEHKWOOOYRD-OAHLLOKOSA-N 452.577 2.176 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2Cc2ncnn2C(C)(C)C)CC1 1588914184 ZLFCWEDARUNBDU-UHFFFAOYSA-N 464.549 2.445 30 10 JEEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1589442842 DYDSGSMMLFETAF-KXBFYZLASA-N 454.369 2.083 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2cnccn2)CC1 1589484159 RMIPXAAVFJLDPC-RXVVDRJESA-N 468.606 2.294 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1589514715 IEHAHPXBLQWADR-HBMCJLEFSA-N 470.599 2.316 30 10 JEEE C=C(Cl)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1593799745 CZFHOSUIOCNZFL-UHFFFAOYSA-N 487.992 2.073 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)N1CCOCC1 1595116118 PLJRPJUJFJUNJU-PZJWPPBQSA-N 459.616 2.094 30 10 JEEE C=CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(C(=O)NCCCOC)CC1 1595386821 JCYODOHRPAYAJP-UHFFFAOYSA-N 451.531 2.149 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1595517321 XJNUJSPXQBQFKB-KRWDZBQOSA-N 468.558 2.107 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1595760004 JRLMZMQKBXUARH-AOMKIAJQSA-N 494.017 2.389 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1595776639 CKXAAKDTPIEVOJ-NRFANRHFSA-N 482.610 2.160 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H]1c1nncn1C 1595805100 KXFBMZPAMRVPNX-SFHVURJKSA-N 477.541 2.218 30 10 JEEE N#C[C@@H]1CN(C(=O)[C@H]2CS[C@H](Cc3ccccc3F)C(=O)N2)CCN1Cc1ccccc1 1617184299 DZGXGTIOIVNJGF-CEMLEFRQSA-N 452.555 2.205 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)N3CC[C@@]4(CN(C(=O)OC(C)(C)C)CCO4)C3)cc2C1=O 1634336436 UVFOCXOWAVDWRU-DEOSSOPVSA-N 455.511 2.321 30 10 JEEE CC(C)(C)OC(=O)NCc1ccc(CNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)cc1 1648854679 FEWRRRXARIYSRJ-UHFFFAOYSA-N 458.540 2.178 30 10 JEEE C=C[C@@H]1OCCC[C@H]1NCC(=O)NCCN1C(=O)S/C(=C/c2ccc(OC)c(OC)c2)C1=O 1654504108 UQCABZIZTOZSKT-LWYMUBTISA-N 475.567 2.180 30 10 JEEE COC(=O)[C@H](NCC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)c1ccccc1OC(F)(F)F 1655604679 DFWBISZLDVCDLF-QFBILLFUSA-N 456.465 2.081 30 10 JEEE CCOC(=O)[C@H]1Cc2cc(S(=O)(=O)N3CCN(c4ccc(F)cc4C#N)CC3)ccc2O1 1665036043 ACAPJCJSZDWULL-OAQYLSRUSA-N 459.499 2.075 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCN(C)CCCOC 1689853459 TYIQYNXKHWNLOX-RBUKOAKNSA-N 464.611 2.013 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1sc(C)nc1C)[C@H]1CCS(=O)(=O)C1 1689982039 GRKRLMLCXUQWGP-AVRDEDQJSA-N 493.655 2.067 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1CCN1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 1689996608 KOMUFFNLBGBJOY-OAQYLSRUSA-N 469.611 2.054 30 10 JEEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1C[C@H]1NC(=O)CC1(C)C)[C@H]1CCS(=O)(=O)C1 1689996915 RAPXBEGQABUVJD-PZJWPPBQSA-N 499.637 2.015 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2COc3ccccc3O2)n1CCCCN1CCC[C@@H]1CO 1690048006 AAISVLQLOPPWBO-QPPBQGQZSA-N 463.582 2.490 30 10 JEEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccccc1CN1CCOCC1 1690087150 MGXLMKQJEDZSBW-GOTSBHOMSA-N 453.587 2.342 30 10 JEEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1690160104 XHZNMSRXTWFHRI-AVRDEDQJSA-N 471.627 2.486 30 10 JEEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)c1cccc(O)c1 1690313144 MAHDMPPOOKHIFE-YLJYHZDGSA-N 479.603 2.107 30 10 JEEE C=CCN(CC=C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCN/C(O)=C1/N=CC=CC1=O 1690588145 KTHZESVSEMINQH-LNVKXUELSA-N 462.510 2.421 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1690664210 LGGQUWBHHFEIJK-IRLDBZIGSA-N 452.603 2.357 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1690667686 DIGARLWCOFBFDR-SJORKVTESA-N 457.579 2.325 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC(Cn2ccnn2)CC1 1690677858 CINCPZVAQHLYGW-IBGZPJMESA-N 499.620 2.160 30 10 JEEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCC(C)(C#N)CC1 1690730141 XVHYCGBPUXCIBY-UHFFFAOYSA-N 462.601 2.000 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCN(C(=O)c3ccsc3)CC2)nnc1C(C)(C)C 1690731165 BNIVMBXFTOBLRW-UHFFFAOYSA-N 451.618 2.200 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCOCCN(C)C 1705490728 PKSWLVOGQNXGPN-GOSISDBHSA-N 451.575 2.272 30 10 JEEE C#CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1705532354 MLBUALQORHNBME-LJQANCHMSA-N 471.606 2.362 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1CCCN1CCCO[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1705563963 ILHSZVVLQMCXJN-VXKWHMMOSA-N 485.654 2.381 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCn1cc(C)cn1)[C@H]1CCS(=O)(=O)C1 1705572025 OZWOWACGXGQICQ-XUVXKRRUSA-N 474.631 2.029 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cnc(C)s1 1705619317 MZECXMHJIYRZJT-AWEZNQCLSA-N 462.576 2.480 30 10 JEEE C#CCN1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@H]2CCOC2)CC1 1705638986 CYDIWGKDOCJDNI-LJQANCHMSA-N 458.607 2.184 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCCCN2CC)CC1 1705651292 QTTZMUOIYXHLHY-FQEVSTJZSA-N 497.669 2.110 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC=C(c2ccc(O)cc2)CC1 1705725521 FYLKBHZRGUYZKI-FQEVSTJZSA-N 459.572 2.186 30 10 JEEE C=CCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1705787010 DUEGZMFIKRNLDY-UHFFFAOYSA-N 459.639 2.153 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)C[C@H]1CCCCO1 1705895216 YIDSLVYQUGEMMI-GOSISDBHSA-N 460.966 2.169 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1cnc(C)s1 1705904110 FZTRKGUOAPJEET-KRWDZBQOSA-N 491.618 2.290 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1705936942 BZXVGLDBTNHLOE-UHFFFAOYSA-N 486.642 2.002 30 10 JEEE CS(=O)(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC2CCOCC2)CC1 1712705982 DYGWGHOIHZOUFH-UHFFFAOYSA-N 458.588 2.151 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccccc1CN1CCC[C@H]1CO 1722305962 NAKSAMLBSCJNDC-DLTYFMDKSA-N 467.614 2.465 30 10 JEEE C#CCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1722310011 HGZPDWSCUJAGSV-UHFFFAOYSA-N 465.558 2.401 30 10 JEEE C#CCCCn1c(Cc2csc(C)n2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1722334502 CCBRQZCWPXFESP-XMSQKQJNSA-N 469.659 2.426 30 10 JEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 1722453477 UNJGJHSUETWPPX-UHFFFAOYSA-N 450.609 2.276 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCS(=O)(=O)CC1 1722491257 JIAHABINOSRBPT-AZUAARDMSA-N 473.599 2.363 30 10 JEEE C=CCCOCCn1c(Cc2ccccc2F)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1722629063 MFFKYDOCXIRBBG-DEOSSOPVSA-N 470.549 2.415 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCn2ccnc2C1 1722655010 BIYQOQOEHWNHKO-WIYYLYMNSA-N 494.625 2.412 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1722695872 SNYWODOUJVKRHY-HXUWFJFHSA-N 467.954 2.055 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CC[C@H](C)[C@@H](OC)C1 1722697644 NPJKZXYJUXRLIE-PXNSSMCTSA-N 479.585 2.399 30 10 JEEE C=CCOc1ccc(Cn2c(-c3cnn(C)c3)nnc2N2CCN(C(=O)NCC)CC2)cc1 1722706368 SJPZSOWLQRBVTJ-UHFFFAOYSA-N 450.547 2.143 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCn2ccnc2C)C1 1722713942 HLKPLMCDNVAUDH-IBGZPJMESA-N 456.572 2.335 30 10 JEEE C=CCSCCn1c(CC(C)C)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1722741614 RIDUBWJQLQWFLJ-GOSISDBHSA-N 457.666 2.027 30 10 JEEE CC(C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1723036567 BSOYNWVIEDDWJQ-UHFFFAOYSA-N 452.544 2.294 30 10 JEEE COC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)c2ccco2)CC1)OC 1730467106 FDJMTGNLTATYNU-LJQANCHMSA-N 450.499 2.034 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H](C)CN1CCOCC1 1740562915 OZZNZISFCOTWOF-LWYYNNOASA-N 460.623 2.475 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@@H]1CCSC1)[C@H]1CCS(=O)(=O)C1 1740625993 QZPPBHULDCTZOB-HKUYNNGSSA-N 460.625 2.257 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCc1cccc(C)n1 1740680757 NBZTUMLAWJTJRN-UHFFFAOYSA-N 453.568 2.381 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@H]2CCCN2CCCO)CC1 1740690732 MHJGZKCKRRCQDU-SFTDATJTSA-N 470.593 2.159 30 10 JEEE C#CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@H](C(=O)OC)C1 1740718005 FPVASAAEGQFTDD-IBGZPJMESA-N 469.615 2.208 30 10 JEEE C=C(Br)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(CCOCC)CC1 1740747455 KDQGOUSYKUGSFH-UHFFFAOYSA-N 452.401 2.207 30 10 JEEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1740787921 LZYYUDASPDLFIX-ZDUSSCGKSA-N 460.398 2.498 30 10 JEEE C=CC1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@]2(C)COCCO2)CC1 1740835804 PBNQFOLWZFHWRV-QHCPKHFHSA-N 475.615 2.403 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2ccccc2Cl)C1 1740991568 ZHWWZLZRMRWEMD-ROUUACIJSA-N 479.990 2.061 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2C[C@@H](C)N2CCN(CC)CC2)c1 1748697735 MEJHHQMAKWJASY-NFBKMPQASA-N 479.629 2.212 30 10 JEEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1748730999 XUBBLKQCNYHDNJ-UHFFFAOYSA-N 454.579 2.044 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccccc1CC)[C@H]1CCS(=O)(=O)C1 1748823830 CBHRLYLNCDCAAB-FKBYEOEOSA-N 472.611 2.240 30 10 JEEE C#CCN(CC#CC)c1nnc(COc2ccc(OC)cc2)n1CCN1CCN(C)C(C)(C)C1 1748902131 AYYPPZGXPBKGAK-UHFFFAOYSA-N 464.614 2.355 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C 1748929144 DSNHORYEVSSCNH-GUDVDZBRSA-N 481.663 2.300 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Br)n2CC[S@@](=O)CC)CC1 1749010231 IVFULAQDZYYUDI-PMERELPUSA-N 492.443 2.442 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(=O)N1CCOCC1 1749159409 UIZAFMBOHNWBIF-IBGZPJMESA-N 492.621 2.238 30 10 JEEE C=C(C)Cn1c(COc2ccccc2OC)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1749204487 IBHBJOSFVASPGI-IBGZPJMESA-N 491.614 2.073 30 10 JEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N(C)Cc1nc(O)c2sccc2n1 1749235068 NXCSYIXMNOAHRH-UHFFFAOYSA-N 457.560 2.340 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1749678203 ZDIAUEQWLMTICC-QFIPXVFZSA-N 482.629 2.325 30 10 JEEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCSC(F)(F)F)CC1=O 1749898135 AGAYHYDVNKMDCY-UHFFFAOYSA-N 484.504 2.277 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc(COc2ccc(Br)cc2)n1CCN1CCCS1(=O)=O 1751097288 HSSYSPATGAYMKV-HNNXBMFYSA-N 497.419 2.393 30 10 JEEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@@H]1CN(CC(C)C)CCO1)[C@@H]1CCS(=O)(=O)C1 1760184006 FZHFZYYHNGVDPL-UXHICEINSA-N 489.617 2.068 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CCOc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1760189334 HWCQHLKWRUKVSA-NRFANRHFSA-N 465.579 2.278 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@@H]1CCOC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1760191067 ADLJOKFOCBUULD-QHAWAJNXSA-N 472.611 2.465 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1Cc1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1760191599 KLGXHVFLDLPGEL-LJQANCHMSA-N 469.567 2.445 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCCO2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1760219042 SRBMLEMZWCMGTH-ACRUOGEOSA-N 453.566 2.329 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccccc3F)n2Cc2cccnc2OCCOC)CC1 1760257993 NPVVDQXQJSBTRX-UHFFFAOYSA-N 450.518 2.308 30 10 JEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(C(C)=O)cc2F)CC1 1760284642 PIOOAKZXUKXBIL-UHFFFAOYSA-N 484.601 2.435 30 10 JEEE C=C(C)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC[C@H](CC(N)=O)C1 1760347085 BOSVSPNRBFIVSD-OAQYLSRUSA-N 451.619 2.311 30 10 JEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc(C)c2)CC1 1760450121 DOCSSSNAEPPIFF-HXUWFJFHSA-N 459.616 2.408 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CCN2[C@H](C)CC[C@H]2C)CC1 1760517759 XDRVRSFVSIFNMX-WOJBJXKFSA-N 496.616 2.150 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1760519373 BGGPNKNOLPFKLD-APWZRJJASA-N 465.558 2.468 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@H](CNC(C)=O)C1 1760526300 KLUCPNSMXKKXFS-HXUWFJFHSA-N 454.575 2.129 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1760550579 BWUKJXGMXQLQNY-PWRODBHTSA-N 471.627 2.478 30 10 JEEE CCO[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2Cc2cccc(CN3CCOCC3)c2)CCOC1 1765817584 HYGKEDJOZFCEBY-CJFMBICVSA-N 468.602 2.407 30 10 JEEE CCOc1c(OC)cc(Cn2c(Cc3cccnc3)nnc2N2CCO[C@@H](C#N)C2)cc1OC 1765949513 AVYNVTKMTPLSDU-IBGZPJMESA-N 464.526 2.457 30 10 JEEE CCCOc1ncccc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1766306844 AEGWGUCBYBKLJN-HXUWFJFHSA-N 461.526 2.000 30 10 JEEE CN(Cc1ccc(C#N)cc1)c1nnc(CN2CCCC2=O)n1C[C@]1(N(C)C)CCSC1 1767063364 CIJKHTCVWNAMFI-HSZRJFAPSA-N 453.616 2.346 30 10 JEEE CCOc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2Cc2ccc(NC(C)=O)nc2)cc1OC 1767548195 CXIZBWXLTSAXIN-LJQANCHMSA-N 477.525 2.483 30 10 JEEE COc1ccc(C(C)(C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)cc1 1768422460 DXNVSPCYHPYDBH-YCRPNKLZSA-N 464.567 2.317 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(O)cc2)cc1F 1862639069 QAARLLULIXHQRL-OAQYLSRUSA-N 456.470 2.450 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCNC(C)=O)[C@H]2c2ccc(C(=O)O)cc2)cc1F 1862640464 PAUSRSFEZVQIHA-IBGZPJMESA-N 456.426 2.247 30 10 JEEE C=CCOc1ccccc1[C@@H]1C(C(=O)NC[C@@H](C)O)=C(N)Oc2c1c(C)nn2-c1ccccn1 1864318634 BENXCHPRZCDJGY-VFNWGFHPSA-N 461.522 2.332 30 10 JEEE COc1ccc(CC(=O)Nc2c(C#N)nnn2Cc2cc([N+](=O)[O-])cc3c2OCOC3)cc1OC 1870108574 NPCMXPUSNYWOHL-UHFFFAOYSA-N 480.437 2.171 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NC[C@H]2CCCO2)cn1CCN(CC)CC 1870544370 KOYMUNWQWGSTON-JOCHJYFZSA-N 460.619 2.038 30 10 JEEE C=CCn1cc(OCC(=O)Nc2ccccc2Cl)c(=O)cc1CN1CCC(C(N)=O)CC1 1870716220 GPSFEZDRBMGHQT-UHFFFAOYSA-N 458.946 2.403 30 10 JEEE C=CCN(CC=C)C(=O)c1cc2c(N3CCN(CCO)CC3)ncnc2n1Cc1ccco1 1873564246 RJLAWJPMPOUWDI-UHFFFAOYSA-N 450.543 2.001 30 10 JEEE CCN=c1nc(N2CCN(C(=O)C3CCN(c4oc(-c5cccs5)nc4C#N)CC3)CC2)cc[nH]1 1891509971 YEHCHZGKDQARFW-UHFFFAOYSA-N 492.609 2.484 30 10 JEEE C#C[C@H]1CCN1C(=O)c1cc(I)cc(I)c1O 1946066623 VOEVWUYPBUDGSK-QMMMGPOBSA-N 453.017 2.449 30 10 JEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H]1CON(C(=O)OC(C)(C)C)C1 2255739589 MXUTXHJNCZKQOZ-CYBMUJFWSA-N 474.410 2.185 30 10 JEEE CN(C[C@H](O)CN(C)C(=O)c1ccsc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2255802852 GBIBDDYXCHPMDN-CQSZACIVSA-N 454.398 2.347 30 10 JEEE CN(C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1)[C@H]1CC[C@H]1NC(=O)OCc1ccccc1 2255832299 KCBPYEKPTMRIIB-MOPGFXCFSA-N 468.363 2.249 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)NCc2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2256611838 AIMHKJQBZRNMAF-MRXNPFEDSA-N 452.382 2.299 30 10 JEEE CN1CC[C@@](CNC(=O)OC(C)(C)C)(Oc2nccc(B3OC(C)(C)C(C)(C)O3)c2F)C1 2265995392 IPJGMUKJGZLDTE-QFIPXVFZSA-N 451.348 2.498 30 10 JEEE Cn1cc(C(=O)NCc2csc(NC(=O)OC(C)(C)C)n2)c(B2OC(C)(C)C(C)(C)O2)n1 2267120583 MMRWHDFLLUEIFX-UHFFFAOYSA-N 463.369 2.453 30 10 JEEE COC[C@]1(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)CCN(C(=O)OC(C)(C)C)C1 2267151074 GZJMIURNSSKCJU-NRFANRHFSA-N 467.397 2.198 30 10 JEEE CC(C)(C)OC(=O)N[C@@]1(C(=O)O)CCN(C(=O)c2csc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267286840 RCQMIIZDMHOKIZ-NRFANRHFSA-N 466.365 2.241 30 10 JEEE CON(CCNC(=O)OC(C)(C)C)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1C 2267360253 SRYAWCJYSNXXPF-UHFFFAOYSA-N 470.397 2.371 30 10 JEEE C[C@@H]1CN(S(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)CCN1Cc1ccccc1 2267412901 SSAAQDGXNSFRPG-QGZVFWFLSA-N 477.461 2.478 30 10 JEEE Cc1nc(C(=O)N2CCC[C@H](CNC(=O)C(F)(F)F)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2267481599 RDJWZVXINGWZID-GFCCVEGCSA-N 461.315 2.281 30 10 JEEE Cn1nc(C(=O)N[C@@]23C[C@@H]2CN(Cc2ccccc2)C3)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2267502997 WJYMTLMYDQIADB-WAIKUNEKSA-N 456.783 2.377 30 10 JEEE Cc1nc(NC(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2F)ncc1B1OC(C)(C)C(C)(C)O1 2268677062 PVVAWXRYFYGQEZ-HIFRSBDPSA-N 450.320 2.228 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@](CCF)(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2268704840 BURCYBHNGZSWIE-FQEVSTJZSA-N 470.376 2.185 30 10 JEEE CC(C)(C)OC(=O)NC1CC(O)(C(=O)Nc2ccc(F)cc2B2OC(C)(C)C(C)(C)O2)C1 2268784285 FHAKLBSNQBQEGN-UHFFFAOYSA-N 450.316 2.482 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@]2(CC(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2268798475 LCWCMVKKQAYOLF-ASSNKEHSSA-N 464.397 2.235 30 10 JEEE C#CCC[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 2271606536 GZQQTQYKAQVPDI-LNPFQXMTSA-N 465.547 2.358 30 10 JEEE Cn1nc(C(=O)N2CC3(CCN(C(=O)OC(C)(C)C)CC3)C2)cc1B1OC(C)(C)C(C)(C)O1 2281968612 FGLIGMYLGAIPLV-UHFFFAOYSA-N 460.384 2.192 30 10 JEEE CON(C1CN(C(=O)OC(C)(C)C)C1)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2282324598 RIBADCOZFHEIGC-UHFFFAOYSA-N 486.371 2.296 30 10 JEEE Cc1c(C(=O)N(C)C[C@H]2CCCN2C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282601147 ZEWYUSHYICXGRW-MRXNPFEDSA-N 462.400 2.499 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@]12CCN(C(=O)OC(C)(C)C)C[C@@H]1C2 2282609881 OAPVBTISHUMKPH-WNSKOXEYSA-N 460.384 2.332 30 10 JEEE CO[C@H]1C[C@H](CNC(=O)OC(C)(C)C)N(C(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2282667219 OZXVINXNIMWIMB-CVEARBPZSA-N 461.368 2.135 30 10 JEEE Cc1ccc(NC(=O)[C@H](CCC(N)=O)NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2284042553 SLSVWYCSOUYLIT-KRWDZBQOSA-N 461.368 2.392 30 10 JEEE C[C@H](C(=O)N[C@H]1CCC=C1B1OC(C)(C)C(C)(C)O1)N1CCN(C(=O)OC(C)(C)C)CC1=O 2284069542 SXQSLHIYOZNWIM-WBVHZDCISA-N 463.384 2.291 30 10 JEEE CC1(C)OB(c2ccc(O)c(C(=O)N[C@H](COCc3ccccc3)CC(=O)O)c2)OC1(C)C 2284454523 OEZFFSAFPQJBOK-SFHVURJKSA-N 455.316 2.481 30 10 JEEE COc1ccc(OC)c([C@@H]2C(=C(O)c3cnc(C)nc3C)C(=O)C(=O)N2CCCN(C)C)c1 2296627816 BPRSTCKFAVNVRQ-OAQYLSRUSA-N 454.527 2.484 30 10 JEEE CC(=O)NCc1nnc(SCC(=O)N[C@H](C)c2ccccc2)n1N=Cc1ccc(C(=O)O)cc1 2330794277 OQFMJGCQUQSXAX-OAHLLOKOSA-N 480.550 2.464 30 10 JEEE COCc1nnc(SCC(N)=O)n1N=Cc1cc(Br)cc(Br)c1O 2331565682 LOAXMMFUVXVVAK-UHFFFAOYSA-N 479.154 2.115 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@]2(C(=O)Nc3ncc(B4OC(C)(C)C(C)(C)O4)s3)CO[C@H]1C2 2334389897 GSHLVIXEUGVJLC-RRMDADRESA-N 465.381 2.453 30 10 JEEE Cc1cc(C(=O)N[C@]23CO[C@H](C2)[C@@H](NC(=O)OC(C)(C)C)C3)oc1B1OC(C)(C)C(C)(C)O1 2359267967 MSECLFBOPOIEBS-UIMAMFOWSA-N 462.352 2.442 30 10 JEEE C[C@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)C[C@@]1(C)CNC(=O)OC(C)(C)C 2362356454 HQNRQIBQCQMQFW-NPMXOYFQSA-N 462.400 2.342 30 10 JEEE C=CCN1C(=O)/C(=c2/sc3n(c2=O)[C@@H](c2cccs2)C(C(=O)OC)=C(C)N=3)c2ccccc21 631783 NGBNYEPCCQWNCS-WOOAAIBNSA-N 477.567 2.373 30 10 JEEE COC(=O)c1ccccc1NC(=O)CSc1n[nH]c(N/N=C/c2cccc(OC)c2O)n1 21079784 XQDCWADWWFAARO-UFFVCSGVSA-N 456.484 2.482 30 10 JEEE CCCCc1nnc(N2C(=O)Cc3c2nc(N)c2c(N)nc(N4CCC[C@H](O)C4)c(C#N)c32)s1 32682193 NJMQHOLIMWEPTO-NSHDSACASA-N 479.570 2.042 30 10 JEEE COc1ccc(/C=N/Nc2nc(S[C@H](C)C(=O)NC3CC3)n[nH]2)cc1OCn1cccn1 59817927 QUQISGFXZQYEQZ-SRRANQMSSA-N 456.532 2.252 30 10 JEEE CC1(C)OB(c2ccsc2CNS(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)OC1(C)C 707739404 BXRMRNNZTWHSLF-UHFFFAOYSA-N 490.412 2.153 30 10 JEEE COc1ccc(-n2c(=C(C#N)C(=O)CC(C)(C)C)sc(=Cc3cnn4ccccc34)c2=O)cn1 729672262 GANJZIQTIUCJPY-UHFFFAOYSA-N 473.558 2.459 30 10 JEEE COC(=O)CC[C@H](NC(=O)C#CCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 757485584 MBEBVQMOMQORLK-NRFANRHFSA-N 464.474 2.051 30 10 JEEE CC(C)n1cc(C=NNc2nnc(SCCC(=O)Nc3ccc4c(c3)OCCO4)n2N)cn1 1084176501 IOMMCZSDCDJGBE-UHFFFAOYSA-N 471.547 2.107 30 10 JEEE NC(=O)CSc1nnc(NC(=O)CSc2n[nH]c(NN=Cc3ccccc3Cl)n2)s1 1084378619 XKJQGPBSVVJFLJ-UHFFFAOYSA-N 483.992 2.064 30 10 JEEE COc1cc(C=NNc2nnc(SCC(=O)Nc3ccc(C(C)=O)cc3)n2N)cc(OC)c1OC 1084546530 WREJQKYMMWEYPM-UHFFFAOYSA-N 499.553 2.397 30 10 JEEE C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)N(C)C[C@H](O)CO)ccc1Cl 1137568857 MRKRMMXIZIVGRZ-KRWDZBQOSA-N 456.923 2.286 30 10 JEEE C#CCNC(=O)C1CCN(C(=O)c2cc(S(=O)(=O)NCc3ccccc3)ccc2C)CC1 1155495649 XNZKSMNQHJRNJW-UHFFFAOYSA-N 453.564 2.075 30 10 JEEE C#C[C@@H](NC(=O)CCC(=O)N1CCN(c2ncccn2)CC1)c1ccc(Br)cc1 1159634167 IZVSYEOLVMUVIW-GOSISDBHSA-N 456.344 2.159 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccsc1)[C@@H]1CCS(=O)(=O)C1 1286383682 NBILPDFKNMJVQQ-NQIIRXRSSA-N 464.613 2.055 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1C[C@H](C(C)C)N1CCOCC1 1286459496 NKQFRKRVOIRDDB-HXUWFJFHSA-N 493.450 2.489 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2cccnc2OCC(F)(F)F)CC1 1286479322 GUSWHGFOUXOOPH-GOSISDBHSA-N 464.492 2.312 30 10 JEEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1286508140 OGEKEGNNEORCMO-NRFANRHFSA-N 457.629 2.486 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC([C@H](O)c2ccc(F)cc2)CC1 1286592452 GGAABTJXGQITGE-NHCUHLMSSA-N 493.605 2.276 30 10 JEEE C=C(C)COCCn1c(-c2cccc(C)n2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1286606155 IFJGHKHZJLRKID-IBGZPJMESA-N 453.547 2.008 30 10 JEEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(N2CCOCC2)cc1 1286620934 WNSVKMJXZKIXDY-INIZCTEOSA-N 469.011 2.114 30 10 JEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2ccccc2F)C1 1286700990 UIXVOLINXIKHTP-UXHICEINSA-N 479.578 2.294 30 10 JEEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H]2CCCC[C@@H]2C1 1286710639 BFYBQIGSHLSWBC-ZCNNSNEGSA-N 467.636 2.220 30 10 JEEE C=CCCOCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCO[C@H](CNC(C)=O)C1 1286712013 WMPUYSKYBNBJBY-LJQANCHMSA-N 452.559 2.371 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1286791736 AVMNFJJUAIRXLQ-QHCPKHFHSA-N 485.976 2.298 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H]2CCC(=O)N2)C1 1286810288 PGVFOZOFGYTSSE-GUDVDZBRSA-N 474.606 2.453 30 10 JEEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC1(C(=O)NCC)CCC1 1300456069 UGGOOPSEXNQALG-UHFFFAOYSA-N 461.570 2.441 30 10 JEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCOc1ccc2c(c1)OCO2 1300466612 YSEWNKIBANYNCJ-GOSISDBHSA-N 485.541 2.464 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1CCCO[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1300486798 BGYJOUOJVOPPMH-VQTJNVASSA-N 458.584 2.076 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCN2CCC(C)CC2)CC1 1300688964 NQLSMQCURHUIIN-UHFFFAOYSA-N 484.670 2.226 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCC(=O)N2CCOCC2)CC1 1300691206 ZWJRGRAMPZOYFY-UHFFFAOYSA-N 464.614 2.247 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(C)cc2OCCCOC)CC1 1300700103 LWVXDPWMFHVBAK-QFIPXVFZSA-N 453.587 2.309 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Br)cc3)n2CC(=O)NCC2CC2)CC1 1300718373 LZJIKYZBMYZWGS-UHFFFAOYSA-N 499.413 2.200 30 10 JEEE C#CCSCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN2C(=O)OC[C@H]2C1 1300763441 WEGLMRIRYDVQDR-GOSISDBHSA-N 490.630 2.400 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 1300952306 QHUPCBJLSAXYCT-AZUAARDMSA-N 491.589 2.426 30 10 JEEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1300960809 MHZPNAMIGUFGPJ-OAHLLOKOSA-N 456.576 2.420 30 10 JEEE C=C(C)COCCn1c(N2CCc3nc(O)c(C#N)cc3C2)nnc1[C@@]1(OC(C)C)CCOC1 1301002187 WGBAWQUOFJNXRD-XMMPIXPASA-N 468.558 2.446 30 10 JEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC1CCC(OC)CC1)C1CC1 1301327234 ORMCEOFOWATEEW-LYBXBRPPSA-N 467.636 2.361 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OCC)CC1 1301531727 VSJAPPQMZFCHKU-LJQANCHMSA-N 489.598 2.072 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCN(C(=O)c2ccccn2)CC1 1301577319 HVBAJKSYFKASNE-UHFFFAOYSA-N 480.594 2.212 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)C[C@@H]1CCCCO1 1301586616 UWQLQXBQNQASCA-INIZCTEOSA-N 472.571 2.200 30 10 JEEE COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1CCc1nc2c(s1)CCCC2 1301799307 CGAMQGNSLYLDQH-UHFFFAOYSA-N 457.604 2.459 30 10 JEEE N#Cc1cc(F)c(S(=O)(=O)N2CCS(=O)(=O)c3ccccc3C2)cc1Br 1309426803 HECKUYGIHWXQBN-UHFFFAOYSA-N 459.318 2.438 30 10 JEEE CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCNC(=O)c1ccc(C)cc1 1314388095 FJKAFJKLGYBDJU-UHFFFAOYSA-N 474.569 2.146 30 10 JEEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1 1349455426 BDZLXTPUUIUCDL-UHFFFAOYSA-N 451.508 2.344 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1358876575 MNNURRZHUQXLOR-LSDHHAIUSA-N 453.515 2.286 30 10 JEEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1358916104 ABANTBCWJVTNGK-HXUWFJFHSA-N 497.669 2.206 30 10 JEEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1C[C@H](F)COC)[C@H]1CCS(=O)(=O)C1 1358967427 KETLQLLZFUQLOD-IRXDYDNUSA-N 470.954 2.122 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCNS(=O)(=O)Cc1ccon1 1358972608 LGEMSAZWUKHYJH-QGZVFWFLSA-N 498.634 2.312 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(N(C)C)CCSC1 1359017310 ZSYAQVQROBEFCR-AUSIDOKSSA-N 491.658 2.396 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1359028133 ICVINXSPAYISGG-QFIPXVFZSA-N 477.613 2.161 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2Cc2c(C)nn(C)c2C)CC1 1359042607 NBUZYCJGXJWYEU-UHFFFAOYSA-N 461.570 2.318 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1359089308 GLMXWEOZGVHILQ-FKBYEOEOSA-N 473.666 2.002 30 10 JEEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1359135303 YVOSCISJVKIJAH-XMSQKQJNSA-N 487.674 2.215 30 10 JEEE C=CCCOCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(C(=O)OCC)CC1 1359225540 BVOWLMXKAMXUHK-UHFFFAOYSA-N 481.557 2.063 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1359328213 XDUFSWKYNSDDOU-CYBMUJFWSA-N 498.325 2.404 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCN(Cc2cscn2)CC1 1359328340 AEFDFRHLZAHQMY-UHFFFAOYSA-N 462.601 2.226 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN1C(=O)OC(C)(C)C 1359473678 GHDJTKJHNYAZAX-BRWVUGGUSA-N 466.608 2.176 30 10 JEEE CCc1nn(C)c(OC)c1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(CC(N)=O)CC1 1498526639 DBHGSTBMOQBCGJ-UHFFFAOYSA-N 462.558 2.261 30 10 JEEE CNC(=O)[C@@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1CCN1CCC(C)CC1 1503713611 FXZMHNOQBRFYOD-IBGZPJMESA-N 453.591 2.279 30 10 JEEE C#CCN(c1nnc(-c2cn(C)c3ccccc23)n1CCNC(=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1507632373 ZRCIQFBUHTXFDC-SFHVURJKSA-N 496.637 2.226 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1CC1=CCN(C(=O)OC(C)(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 1507634377 KAQGUWPKKCMNQI-HXUWFJFHSA-N 489.642 2.425 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H]1CCCN(C(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1507636019 XEUGRWOUQMAKRM-FGZHOGPDSA-N 470.643 2.011 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1Cc1ccc(NC(=O)NC(C)C)cc1 1507710858 WPGQVAKGBHSEJK-UHFFFAOYSA-N 450.547 2.343 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCNC(=O)[C@H](C)CCC)CC1 1507737970 DXZAXHJLGRAOPU-QUCCMNQESA-N 458.607 2.038 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 1507750895 HGCHHCZNXGHKCD-OALUTQOASA-N 462.645 2.201 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1cccc(F)c1 1507773323 PTKFBPQPWBXGLE-NZQKXSOJSA-N 475.590 2.375 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccc2OC)nnc1N1CCC(NS(C)(=O)=O)CC1 1507808630 YSQNPYQNDIGKED-XXBNENTESA-N 489.642 2.377 30 10 JEEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)COc2ccc(F)cc2)CC1 1507836019 UELWYQUVOAHODO-AVRDEDQJSA-N 473.549 2.445 30 10 JEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 1507968893 XCZUGINTRNSTMV-KXBFYZLASA-N 480.553 2.303 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1508149155 OKUPEZPVBRJFMR-WZONZLPQSA-N 494.589 2.371 30 10 JEEE CCN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CC(=O)N(C)C1CCCCC1 1515771476 HQGMNHISGUBCCA-UHFFFAOYSA-N 472.615 2.479 30 10 JEEE Cn1cc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2Cc2ccc(CS(C)(=O)=O)cc2)cn1 1517368367 CIHQVBFPMHFXRN-QFIPXVFZSA-N 453.572 2.402 30 10 JEEE COCC1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(S(C)(=O)=O)CC2)CCOCC1 1518792766 FKXGRDWYSJXTGJ-UHFFFAOYSA-N 473.599 2.273 30 10 JEEE C#CCN(c1nnc(C2CCC2)n1CCc1cccc(C(=O)N(C)C)c1)[C@H]1CCS(=O)(=O)C1 1539220341 IYLMTXQVHSHGTK-NRFANRHFSA-N 469.611 2.117 30 10 JEEE C#CCN(c1nnc(CCOc2ccccc2)n1C[C@H]1CSCCS1)[C@H]1CCS(=O)(=O)C1 1539230138 KQYIYVKXQQILIQ-ICSRJNTNSA-N 492.692 2.375 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCN1CCCO[C@@H](C)C1 1539315845 WMSZHDJHPHEFIO-NRFANRHFSA-N 487.608 2.156 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CC=CCC2)n1 1539423165 SXRSSPUZUVKMIM-HXUWFJFHSA-N 451.575 2.353 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1539438463 XPAVZMCHKGFAJE-RBUKOAKNSA-N 474.403 2.311 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2cccc(N(C)C)c2)CC1 1539467546 UTHUBCMBTGQXNX-UHFFFAOYSA-N 479.629 2.277 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H]2CCN(CC)C2)CC1 1539481824 GQHSCMFASBRRMW-LJQANCHMSA-N 452.578 2.316 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2C[C@H]2CCN(CC(F)(F)F)C2)CC1 1539481938 INUCOLXCGYYHPT-KRWDZBQOSA-N 454.541 2.327 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2Cc2ccc(OC)nc2)CC1 1539483317 WZHSDSOCZVBTGI-UHFFFAOYSA-N 462.529 2.426 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N1CCCN(S(C)(=O)=O)CC1 1539642816 SNFDKRQITIGMRK-XMSQKQJNSA-N 493.605 2.449 30 10 JEEE C=C(C)COCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCO[C@H](C)C1 1539757985 GCQGZUWIVALEPY-JOCHJYFZSA-N 454.619 2.461 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1540872073 BKIFUNMWCLHVRW-LSDHHAIUSA-N 453.996 2.082 30 10 JEEE C=CCOc1ccc(Cn2c(COCC)nnc2N2C[C@H](C)[C@H](N3CCN(C(C)=O)CC3)C2)cc1 1540878765 HURXQHBOTJCMOQ-GBXCKJPGSA-N 482.629 2.417 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N(C)Cc1nc(O)c2sccc2n1 1540903370 DJLBYGMUGHRLGF-UHFFFAOYSA-N 450.590 2.424 30 10 JEEE CC(=O)N1CCN([C@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCCOC(F)F)C[C@H]2C)CC1 1541000914 HZEUPEYEFDZUDC-UTKZUKDTSA-N 487.555 2.435 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC1Cc2ccccc2C1 1541115658 CMVQMTYEYOULQN-UTKZUKDTSA-N 472.615 2.012 30 10 JEEE Cc1nc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(NS(C)(=O)=O)CC2)sc1C 1542049986 FOBAKUZYPHALDD-UHFFFAOYSA-N 471.612 2.456 30 10 JEEE CNC(=O)[C@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CC12CCN(C(=O)c1ccnn1C)CC2 1548377915 FCSWCXLARGCCOE-GOSISDBHSA-N 474.487 2.415 30 10 JEEE Cn1nc(-c2nnc(N3CCC(C#N)CC3)n2CCNC(=O)OC(C)(C)C)c2ccccc2c1=O 1554364175 DBQJTGVRJDRSLF-UHFFFAOYSA-N 478.557 2.457 30 10 JEEE CC(C)(C)OC(=O)N1CCCO[C@H](CNC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)C1 1564745709 CHPWOQGSWSDRJC-OAQYLSRUSA-N 457.575 2.411 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1ccc(N(C)C)c(F)c1)[C@H]1CCS(=O)(=O)C1 1588051005 ZDTQODPDYQJORT-IBGZPJMESA-N 468.558 2.220 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CC1(N2CCC(OC)CC2)CCCC1 1588171193 WGHJKSCKYBJPRT-UHFFFAOYSA-N 466.630 2.401 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCC(C)CC1 1588646028 GCGACEYKOIDNII-NRFANRHFSA-N 490.649 2.404 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3OCC)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1588871725 OGNHTOPSSFLZMM-JOCHJYFZSA-N 480.613 2.270 30 10 JEEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1589059244 CUESSQPZEBWDRA-PMACEKPBSA-N 460.648 2.019 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1595475166 BDSCWFFVHRPALJ-VXKWHMMOSA-N 452.603 2.423 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1595497047 OJKABBBSEJDVKS-UHFFFAOYSA-N 469.546 2.239 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC(NC(=O)Nc2ccccc2)CC1 1595523657 ZYYJFCTVDGOUIW-UHFFFAOYSA-N 460.542 2.433 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCOC(C)(C)C1 1595537179 NBILJUGERGERFC-UHFFFAOYSA-N 465.558 2.153 30 10 JEEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 1595551275 NEXKOSKVHZIRCA-UHFFFAOYSA-N 474.631 2.070 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(Cc2cc(C)ccc2OC)CC1 1595788532 BUBSXMKQPZKJMW-UHFFFAOYSA-N 459.616 2.396 30 10 JEEE CCN(CC)C(=O)CN1CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nnc(C)s2)CC1 1615325134 ASEFLNSMUGTBRQ-UHFFFAOYSA-N 493.641 2.406 30 10 JEEE COc1ccccc1-c1nnc(N(CCC#N)CC2CC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1619385634 GTMRZQHVCRBAJM-GOSISDBHSA-N 458.588 2.365 30 10 JEEE COC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(S(C)(=O)=O)CCC2)C[C@@H](C)O1 1619736553 DPVLJSMQLKLAHL-VQIMIIECSA-N 459.572 2.024 30 10 JEEE CS[C@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1620194135 CRLCFMHEGMWTQL-MRXNPFEDSA-N 462.583 2.389 30 10 JEEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1 1624041890 ALPOWNURBUYYFK-ZDUSSCGKSA-N 450.923 2.303 30 10 JEEE C=C[C@@H]1OCCC[C@H]1NC(=O)c1cc(S(=O)(=O)NC[C@H]2CCCO2)ccc1Br 1628005881 KPYXXLKUNZIILD-XWIAVFTESA-N 473.389 2.370 30 10 JEEE C#CCNS(=O)(=O)c1ccc(C(=O)NCc2cc(OC)c(O)cc2Br)cc1 1644472924 RIWNHCFVXOVKFW-UHFFFAOYSA-N 453.314 2.005 30 10 JEEE C#Cc1cccc(NC(=O)NC(=O)CN2CCNC(=O)[C@H]2c2cccc(Br)c2)c1 1652914707 IHOGVPMKMNZNQG-LJQANCHMSA-N 455.312 2.252 30 10 JEEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])n1 1655207198 CREJYLADFXVAGB-UHFFFAOYSA-N 457.306 2.024 30 10 JEEE CC(C)(C)OC(=O)N1CCN([C@H](CNS(=O)(=O)CC2(CC#N)CC2)C(F)(F)F)CC1 1661588692 FAZSSYLNRLSYDO-CQSZACIVSA-N 454.515 2.083 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(S(C)(=O)=O)CC1 1689849224 IQWXOWLGLVAJOA-SJORKVTESA-N 465.620 2.428 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H](C)COCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1689988392 OBUCLDILICHPOY-TZIWHRDSSA-N 480.594 2.215 30 10 JEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1CCCC(=O)NC1CC1)[C@H]1CCS(=O)(=O)C1 1689991824 CZOHLJLQEJGCGU-FQEVSTJZSA-N 490.029 2.208 30 10 JEEE C#CCN(c1nnc(COc2ccccc2OCC)n1Cc1cc(C)no1)[C@@H]1CCS(=O)(=O)C1 1689997101 VZPLMFBQFFJVJY-GOSISDBHSA-N 485.566 2.227 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1Cc1cccc(CN2CCO[C@H](C)C2)c1 1690101276 VKEDWGDUQXITFV-HXUWFJFHSA-N 461.570 2.090 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H]2CCCO2)CC1 1690124471 LZSUVJYCDCCYCN-VQTJNVASSA-N 458.607 2.327 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCc2nc(C)c(C)s2)CC1 1690152409 JXOWPXWCMIRKHV-UHFFFAOYSA-N 480.642 2.422 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1690250072 CRCAOLPBXHPCIV-WFXMLNOXSA-N 474.606 2.485 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1690251000 NVZHNHBYKJSEAI-WPWBMXPQSA-N 498.676 2.158 30 10 JEEE C=C(C)COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1690302412 DMRDDSOAKMDCMA-AUSIDOKSSA-N 497.600 2.435 30 10 JEEE CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1696479706 GNABZNOCQCJDKT-NRFANRHFSA-N 472.615 2.148 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OC)n2Cc2cc(C)on2)CC1 1705651520 ZSYRYTWUMIGZKX-UHFFFAOYSA-N 464.526 2.176 30 10 JEEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C)c2ccccc2C1 1705680784 HHSSYKUFVAOGHR-AWEZNQCLSA-N 469.409 2.253 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCC[C@@H](COC)C1 1705700013 NVEIRTMCDAABLT-ZRNYENFQSA-N 452.621 2.414 30 10 JEEE C=CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1705892760 FTMAMAJRMRNLDJ-UHFFFAOYSA-N 466.586 2.268 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(OC)c3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1705920409 WZGLFFNWVYKNJY-HVSLCEISSA-N 464.526 2.261 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1705933078 TWDFIQYJRLJYTD-QFIPXVFZSA-N 456.572 2.031 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCO[C@H](c3noc(C(C)C)n3)C2)nnc1C(C)(C)C 1705938707 HRMXNGGFRJYMAD-HNNXBMFYSA-N 452.581 2.261 30 10 JEEE CCC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1709441888 DUEQWAMSVKSNAO-NFBKMPQASA-N 472.615 2.372 30 10 JEEE C#CCCCn1c(N2CCO[C@@H](Cn3nc(C)cc3C)C2)nnc1[C@]1(OC(C)C)CCOC1 1722341146 ULWUUAYNQDHWKP-QPPBQGQZSA-N 456.591 2.451 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H](c1ccco1)N(C)C)[C@H]1CCS(=O)(=O)C1 1722359008 HWTBGVQOXCWCIW-LEWJYISDSA-N 478.578 2.339 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1ccc(F)c(F)c1)[C@H]1CCS(=O)(=O)C1 1722366952 UGPKNMPBZHWPBL-SFHVURJKSA-N 457.506 2.217 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CCCN1CCc2ccccc2C1 1722369929 CRHIRSGFDWDQBO-UHFFFAOYSA-N 453.550 2.447 30 10 JEEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCN(C)[C@@H]1c1cccs1 1722373513 OFQDYTBLDURTIJ-NSHGMRRFSA-N 474.656 2.106 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccc(OC)c(OC)c2OC)CC1 1722431878 UIEOYVAJPAEJMB-AREMUKBSSA-N 499.612 2.148 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2Cc2cc(C)nn2C)CC1 1722441245 OXAZWLCHNIVVED-UHFFFAOYSA-N 488.596 2.203 30 10 JEEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1722453837 DOYIONLAADYRCC-GOSISDBHSA-N 475.640 2.020 30 10 JEEE C=CCCOCCn1c([C@H]2CCCCO2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1722628032 QVSAODZQQCLIIM-OAQYLSRUSA-N 460.623 2.247 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCCc1nc(C)cs1 1722639554 AMKJHEAHSGJDQV-INIZCTEOSA-N 454.622 2.021 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1722692128 DYXPNFZAYKXEBP-GOSISDBHSA-N 462.558 2.177 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3nn(C(C)C)c(=O)c4ccccc34)n2CCC(=O)NC)C1 1722713728 JGISDIXWYGZNSD-QGZVFWFLSA-N 465.558 2.153 30 10 JEEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1722743492 ZYEIBQMOHNBRJO-QGZVFWFLSA-N 480.635 2.050 30 10 JEEE CC(=O)N(C)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCC(=O)NC2CC2)CC1 1722765287 AXYRPNYRSJMWOF-UHFFFAOYSA-N 479.585 2.235 30 10 JEEE CO[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(c2ccccc2C#N)CC1)C(C)C 1729878085 BKJIPAVLRKANMS-CTNGQTDRSA-N 451.575 2.489 30 10 JEEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1cccc(N2CCOCC2)n1 1740558574 WVYWDMZWYWSASC-IBGZPJMESA-N 457.538 2.467 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2CCCc2c[nH]nc2C)c1 1740563501 UOOXAHIMINQNMM-UHFFFAOYSA-N 455.526 2.456 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccccc1C1OCCO1)[C@@H]1CCS(=O)(=O)C1 1740616138 UCBLZZOETDEVLQ-GOSISDBHSA-N 458.584 2.296 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1CCc1csc(C(C)(C)C)n1)[C@H]1CCS(=O)(=O)C1 1740623081 NRIBUQVNVOAUEL-KRWDZBQOSA-N 485.639 2.359 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1C[C@@H]1CN(Cc2ccccc2)CCO1)[C@@H]1CCS(=O)(=O)C1 1740624995 CEIUAELYUMQUGJ-PKTZIBPZSA-N 485.654 2.004 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CCS(=O)(=O)C1 1740676280 YBRFTSSEKVRKRD-SFHVURJKSA-N 475.590 2.410 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)ccc3C)n2CCN2CCOC[C@H]2C)CC1 1740707787 POXUJHLOFAMYPK-JOCHJYFZSA-N 494.640 2.160 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1740850236 DKNRJWUZLDJRRS-RBUKOAKNSA-N 465.664 2.472 30 10 JEEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 1740891025 OZOASZNYSCCKBH-HOTGVXAUSA-N 468.624 2.300 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(O)CCN(C(C)C)CC1 1740937242 CQIIMCXGFCVQTR-HXUWFJFHSA-N 491.658 2.244 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCS(=O)(=O)Cc2ccccc2)C1 1740977218 SLTBAUMDGOPCTM-FQEVSTJZSA-N 456.572 2.075 30 10 JEEE C=CCSCCn1c(-c2cnccn2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1741000415 QPOAJXNZGPDJQO-GHTZIAJQSA-N 470.647 2.033 30 10 JEEE CC(=O)N(C)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccc(C#N)o2)CC1 1741010874 YHPUMJGICPBGTJ-HSZRJFAPSA-N 456.547 2.279 30 10 JEEE CO[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1)C(C)C 1748423516 DZMCSPWASYTZMU-FGZHOGPDSA-N 465.602 2.231 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCC[C@H]1CC)[C@H]1CCS(=O)(=O)C1 1748805086 NYLYFURGFXTHFC-NVJIOZQYSA-N 464.632 2.383 30 10 JEEE C#CCN(c1nnc(CC2CCCC2)n1CC(=O)NC1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1748821110 LTKKUMDSDHMDKX-HXUWFJFHSA-N 461.632 2.086 30 10 JEEE COc1cccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@](C)(C#N)C2)c1OC 1748954639 BADOKVVNALMXBC-HTAPYJJXSA-N 459.572 2.376 30 10 JEEE COc1cccc(O[C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@](C)(C#N)C2)c1 1748964804 AIBVKJFZTOTPOD-YVHKJVDXSA-N 476.603 2.494 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](C)Sc2ccccc2)CC1 1749009406 IKAAFDOLHALEOP-YLJYHZDGSA-N 466.611 2.376 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C2CCOCC2)C1 1749368492 KPJSOMPAOVICGQ-PMACEKPBSA-N 481.663 2.466 30 10 JEEE C=CCOc1ccccc1Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)C(C)C)CC1 1749690225 TYCCYAADSFZINE-UHFFFAOYSA-N 466.586 2.318 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2CCCN2CCOCC2)c1 1760128046 VWTIPYYELYTTDJ-UHFFFAOYSA-N 473.581 2.042 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCC2(C1)OCCO2 1760212846 GURPLHCETMGKAQ-LJQANCHMSA-N 468.579 2.355 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2Cc2ccn(C)n2)CC1 1760270848 CHKPAMRMYCZUET-UHFFFAOYSA-N 461.570 2.222 30 10 JEEE C#CCSCCn1c(N2CCN(CC(C)C)C(=O)[C@H]2C)nnc1[C@]1(OC(C)C)CCOC1 1760286188 DZDDUBJSTJAEJC-XXBNENTESA-N 463.648 2.378 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1CCN(C(C)=O)CC1 1760501664 YDDXDWKGVUQAMF-HXUWFJFHSA-N 475.615 2.267 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1760520201 FZDMTWSVFHUIRR-OAHLLOKOSA-N 452.481 2.329 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H](C)CC[C@H]1C 1760550536 ATACEBRSPYWIIZ-QZTJIDSGSA-N 495.671 2.421 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@@H](C(=O)OC)C1 1760551176 VSZXYZCBSVZFJH-OAHLLOKOSA-N 470.498 2.147 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 1760556192 WTVZLSUQABQPRN-ROUUACIJSA-N 483.635 2.219 30 10 JEEE CC(=O)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC(F)(F)CO2)CC1 1760600897 IUNXYLGSRJTIFH-IBGZPJMESA-N 460.485 2.212 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCN1CCCS1(=O)=O 1760692632 BRRYATHUTFXASK-KRWDZBQOSA-N 495.650 2.024 30 10 JEEE Cc1cccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCCN2C[C@H](C)O[C@H](C)C2)c1 1762024014 CVCUSCCUHHTDLR-RZUBCFFCSA-N 454.575 2.394 30 10 JEEE Cc1noc(C)c1[C@H](C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1762638818 DSNARIKQXFLEHG-MRXNPFEDSA-N 477.573 2.418 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)COc2cccnc2NC(=O)N(C)CCC(=O)O)nc1C 1858792983 ZGXLSIMCHASTFQ-UHFFFAOYSA-N 477.499 2.145 30 10 JEEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1ccc([N+](=O)[O-])cc1 1862630254 PQJUHYJHGIFGDX-IBGZPJMESA-N 453.407 2.038 30 10 JEEE N#Cc1nnn(-c2ccccc2)c1NC(=O)CN1C(=O)c2ccc(Br)cc2C1=O 1870155560 SYMZECTWDJQCLL-UHFFFAOYSA-N 451.240 2.136 30 10 JEEE C=CCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(N3CCOCC3)ncnc21 1873561132 GTDPJOQGHOXSDV-UHFFFAOYSA-N 462.554 2.425 30 10 JEEE C=CCn1c(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc2c(NCCc3ccc(S(N)(=O)=O)cc3)ncnc21 1875231151 BVKPRCWVMIZDNA-IAGOWNOFSA-N 498.609 2.169 30 10 JEEE CC(C)N1C(=O)CS[C@H](C(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)[C@H]1c1ccc(C#N)cc1 1890751710 AQDRDGVMPQSMQY-MZYLBHOOSA-N 484.622 2.049 30 10 JEEE CN1CCN(CC#CCOC2CCN(S(=O)(=O)c3cc(Cl)c(F)cc3F)CC2)CC1 1890917607 GFXIPMUQCRMEMW-UHFFFAOYSA-N 461.962 2.039 30 10 JEEE CC(C)N1C(=O)CS[C@H](C(=O)N2CCN(c3cnsn3)CC2)[C@@H]1c1ccc(C#N)cc1 1892102211 FKFJBCVBEXPVDR-PMACEKPBSA-N 456.597 2.152 30 10 JEEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](C)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 2222513213 NQDOCXZIQZTXLI-YGKZAACZSA-N 453.580 2.417 30 10 JEEE CC(C)(C)OC(=O)NC1CC(NS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2247901754 PEDQKKHCMHMLSS-UHFFFAOYSA-N 458.411 2.381 30 10 JEEE CC1(C)OB(c2cc(C(=O)N[C@H]3COCCN(C(=O)OCc4ccccc4)C3)ns2)OC1(C)C 2255638949 NHIPZMSLTVIGOI-QGZVFWFLSA-N 487.387 2.210 30 10 JEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2255706926 PPFXBGJKXLNDIX-UONOGXRCSA-N 452.382 2.411 30 10 JEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H](O)CNC(=O)OC(C)(C)C)c1C 2255823807 YCSWRQJPTSFDLP-CQSZACIVSA-N 454.398 2.280 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2csc(B3OC(C)(C)C(C)(C)O3)c2)C[C@H](O)C1 2255848124 WRXJJARPGZAXKZ-HNNXBMFYSA-N 452.382 2.101 30 10 JEEE C[C@H](CNC(=O)OC(C)(C)C)CNS(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2255942662 ONRPVGMWEFHEAG-OAHLLOKOSA-N 454.398 2.425 30 10 JEEE CC1(C)OB(c2nccnc2C(=O)N[C@H]2CCCN(C(=O)OCc3ccccc3)C2)OC1(C)C 2256067646 REYAHXMYWMDQPY-SFHVURJKSA-N 466.347 2.307 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)sc1CNC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)O 2256628298 GOCMKQKKXMDMDP-CZUORRHYSA-N 454.398 2.246 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(C)(C)O 2256678416 NCIAKJXCXIIQSU-HNNXBMFYSA-N 454.398 2.328 30 10 JEEE CC1(C)OB(c2scnc2CS(=O)(=O)N(CCC(=O)O)Cc2ccccc2)OC1(C)C 2256908546 QLEJGXBKKGYQTD-UHFFFAOYSA-N 466.390 2.249 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](NC(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)CCO1 2267005919 KFIAZRWREVVLDU-HOTGVXAUSA-N 450.341 2.381 30 10 JEEE Cc1sc(C(=O)N2C[C@H](O)C[C@@H]2CNC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2267115545 JJZSZAZFNJKOAZ-HUUCEWRRSA-N 466.409 2.456 30 10 JEEE C=C(CS(=O)(=O)N1CCOCCC12CN(C(=O)OC(C)(C)C)C2)B1OC(C)(C)C(C)(C)O1 2267469995 DIHFWSINOZOHSP-UHFFFAOYSA-N 472.413 2.216 30 10 JEEE Cc1c(C(=O)N(C)CC(C)(C)NC(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2267493691 MBMMICUPMHNXFN-UHFFFAOYSA-N 450.389 2.403 30 10 JEEE Cn1nc(C(=O)N2C[C@H]3C[C@H]2CN3C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2267498565 LEAWLJOEXBARNP-QWHCGFSZSA-N 466.775 2.207 30 10 JEEE CC(C)(C)OC(=O)NCC1(NS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CCC1 2267703796 BPZQNFGDYICQFE-UHFFFAOYSA-N 467.397 2.107 30 10 JEEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@H]3CCCCN3C(=O)C(F)(F)F)s2)OC1(C)C 2267711321 JSTILQFMUHBNEI-GFCCVEGCSA-N 482.355 2.269 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1CCCN1S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2267721067 NXCYWXMFEQLACC-INIZCTEOSA-N 467.397 2.059 30 10 JEEE C[C@H]1C[C@@H](C)[C@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)CN1C(=O)OC(C)(C)C 2268710438 IELMAMSQZFJMIP-HZSPNIEDSA-N 466.413 2.479 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)c2cc(F)ccc2B2OC(C)(C)C(C)(C)O2)CCO1 2281771756 ZHFJTNULETXQEX-MRXNPFEDSA-N 464.343 2.491 30 10 JEEE CC(C)[C@H]1CN(C(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)CCN1Cc1ccccc1 2281956648 ASQALWVTPIPUSF-LJQANCHMSA-N 453.396 2.097 30 10 JEEE Cn1cc(C(=O)N2C[C@H]3C[C@@H](C2)[C@@H](NC(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)n1 2281967206 WHZZYSRUFFNIBV-ZOBUZTSGSA-N 460.384 2.095 30 10 JEEE Cc1nn(C)c(C(=O)N2CCCC23CN(C(=O)OC(C)(C)C)C3)c1B1OC(C)(C)C(C)(C)O1 2281987584 ANZKVJIFDVNFRV-UHFFFAOYSA-N 460.384 2.253 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CC1(C)C 2282023051 KXYCSWJBAKOBQP-HNNXBMFYSA-N 460.384 2.399 30 10 JEEE Cn1cc(C(=O)N2CCC[C@H]3[C@H]2CCN3C(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2282062975 GGVWTBAUWVAIMS-DLBZAZTESA-N 460.384 2.333 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]1CCCN2C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2282188352 UTKKDNLVQKXPCC-IRXDYDNUSA-N 458.368 2.390 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)[C@@]2(CCOC2)C1 2282209585 USBAONUJJNSQCO-HJPURHCSSA-N 461.368 2.212 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)Nc1ccnc(NC(=O)OC(C)(C)C)c1 2282339851 YENDGZCDNRPYIH-UHFFFAOYSA-N 479.368 2.262 30 10 JEEE CC(C)[C@H]1[C@H](NC(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2282530906 BDIAKAGJNFDXLU-AEFFLSMTSA-N 462.400 2.483 30 10 JEEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C1 2282555159 OOZVJPMKUFHNLK-HZPDHXFCSA-N 462.400 2.485 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCCC12CN(C(=O)c1ncc(B3OC(C)(C)C(C)(C)O3)cn1)C2 2282623891 IRELKFYSVLYGQS-INIZCTEOSA-N 458.368 2.295 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H](O)C2)c1 2282700573 RLBPGQKSQOAFHM-KRWDZBQOSA-N 460.380 2.348 30 10 JEEE COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1NC(=O)[C@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C 2283951632 YADSATWXASHARG-NVXWUHKLSA-N 462.352 2.303 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C1 2283958020 UYJNAMFGDZZMAY-RTBURBONSA-N 458.364 2.198 30 10 JEEE CC(C)(C)OC(=O)NCCOCC(=O)N1CCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C1 2283961732 AYSDHLMCCSPZBK-UHFFFAOYSA-N 460.380 2.412 30 10 JEEE CCn1cc(C(=O)N2C[C@H]3C[C@@]3(CNC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2288264099 YOQLYVGFMHRSOH-IQMFZBJNSA-N 460.384 2.189 30 10 JEEE Cn1cnc(C(=O)N2CCC([C@@H]3CN(c4ccc(C#N)c(C(F)(F)F)c4)C[C@@H]3C(N)=O)CC2)c1 2297650323 LHAIUWPWDZGPCB-ROUUACIJSA-N 474.487 2.401 30 10 JEEE CCCNC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1N=Cc1ccc(OC)c(O)c1 2329013320 SDPBFJNCQOJHEL-MRXNPFEDSA-N 474.587 2.217 30 10 JEEE CCCOC(=O)CSc1nnc(CCOC)n1N=Cc1cc2c(cc1[N+](=O)[O-])OCCO2 2331311767 WDXFIRYGZDAAEJ-UHFFFAOYSA-N 465.488 2.074 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 2362452461 PEHRLLRELFMWII-MQVJKMGUSA-N 460.384 2.380 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H](CNC(=O)OC(C)(C)C)OC)c1 2365476820 IFASTPFKSOROTG-MRXNPFEDSA-N 464.368 2.264 30 10 JEEE CCOC(=O)C1CCN(c2nc3c(c(=O)[nH]2)[C@H](c2ccc(Cl)cc2)[C@H](C#N)C(=O)N3)CC1 72444721 YRVBCZSSNBBHQS-JKSUJKDBSA-N 455.902 2.427 30 10 JEEE CCOC(=O)NC(=O)/C(=C/Nc1ccc(N/C=C(\C(C)=O)C(=O)NC(=O)OCC)cc1)C(C)=O 100219550 GMCRWAROBDQQBC-JYFOCSDGSA-N 474.470 2.002 30 10 JEEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(NS(=O)(=O)c3ccc(C)c(C)c3)cc2)CC1 512593308 TYSRZJKNLYZMBQ-UHFFFAOYSA-N 470.595 2.164 30 10 JEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(C)c(OC(F)F)c(C)c2)c(=O)n1C[C@@H]1CCCO1 590915247 CJRZTRKESQVNGC-KRWDZBQOSA-N 489.544 2.112 30 10 JEEE COc1ccc(C(C)=NNc2nnc(SCC(=O)NCc3ccccc3)n2N)cc1OC 1084246493 XJIDXFAFHUEWBL-UHFFFAOYSA-N 455.544 2.254 30 10 JEEE COc1cccc(C(C)=NNc2nc(SCC(=O)Nc3ccc4c(c3)C(=O)NC4=O)n[nH]2)c1 1084392909 KDFOWRUMFHKVFM-UHFFFAOYSA-N 465.495 2.264 30 10 JEEE C=CCNC(=O)c1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3cc(C)ccc3OC)C2=O)cc1 1125250724 VYIDZVZMUGRZNL-DEOSSOPVSA-N 450.495 2.325 30 10 JEEE C#CCONC(=O)c1cccc(S(=O)(=O)Nc2ccc(I)cc2)c1 1147034942 NOXRHBOLLCELLI-UHFFFAOYSA-N 456.261 2.387 30 10 JEEE N#CCCN1CCN(C(=O)Cc2csc(NC(=O)c3ccc(Br)o3)n2)CC1 1171874466 FZTSWLVNUSDLFI-UHFFFAOYSA-N 452.334 2.351 30 10 JEEE C#CCN(c1nnc(-c2ccccc2F)n1CCCN1CCCO[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1286387297 PVUSAVYYJGHWQN-VQTJNVASSA-N 489.617 2.212 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCc2n[nH]c(C)n2)CC1 1286471993 PMJYBMNOWITFFG-MRXNPFEDSA-N 454.966 2.496 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2cccc(OCC)c2)CC1 1286487975 JFRSWELINZZNRU-SANMLTNESA-N 481.597 2.343 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCc2ccc(OC)c(F)c2)CC1 1286489763 BKYBPKCVKJYBJW-UHFFFAOYSA-N 463.517 2.091 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](C)c2cccc(C)c2)CC1 1286492226 FCAAOQZBBHBDQJ-KNQAVFIVSA-N 483.638 2.258 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2ccc(S(C)(=O)=O)cc2)CC1 1286663432 LVBHKFOGKHPPDV-LJQANCHMSA-N 478.640 2.229 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1286816123 FRXPAFBECCUEHP-MAUKXSAKSA-N 463.991 2.256 30 10 JEEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCCN(c2ccccc2C#N)CC1 1286823966 RVFAEJVSZOKDGT-UHFFFAOYSA-N 458.588 2.004 30 10 JEEE C=C(C)CCNC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 1298203060 ANNXSVIPZKRKPC-AWEZNQCLSA-N 455.886 2.354 30 10 JEEE COC(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCCO[C@H](C)C2)C1 1299367251 BHZNHACDXOSVNL-NQIIRXRSSA-N 452.559 2.317 30 10 JEEE C#CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCCN(S(C)(=O)=O)CC1 1300407779 CYWUUBQVNXYNHN-IBGZPJMESA-N 494.662 2.278 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1c[nH]c2cc(C)ccc12 1300579494 WBPGUQDMQLBBHG-QHCPKHFHSA-N 494.621 2.106 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@H]2CCN(CC)C2)CC1 1300700143 MIXFRZYMPMDLNZ-YADHBBJMSA-N 485.677 2.490 30 10 JEEE C#CCSCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC(NC(=O)COC)CC1 1300743291 LNCQBTRCRIDMNI-UHFFFAOYSA-N 479.610 2.433 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C)n1CCC[C@@H]1NC(=O)NC1=O 1300816363 MYPUWKQXRWKUGP-MHECFPHRSA-N 450.543 2.454 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1300885757 SKLOGLQIEREHJP-GGPKGHCWSA-N 467.636 2.061 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2cn3ccccc3n2)nnc1N(C)CCS(=O)(=O)CC 1300891341 KFAPUILJXYRDDC-XMSQKQJNSA-N 472.615 2.369 30 10 JEEE C=C(C)Cn1c(-c2ccccc2OC)nnc1N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 1300944447 OMNKIYHTUCEJEK-SFHVURJKSA-N 463.604 2.407 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1301424806 OSDJLVURLIMPCB-UFYCRDLUSA-N 467.636 2.363 30 10 JEEE C=CCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCN(C(=O)COC)CC1 1301445874 QOZLZGBTLRATSA-UHFFFAOYSA-N 450.337 2.197 30 10 JEEE C=CCOc1ccc(Cn2c(-c3ccc[nH]3)nnc2N2CC[C@H](S(=O)(=O)NCC)C2)cc1 1301518971 NWVVRHJNAKSXGW-IBGZPJMESA-N 456.572 2.404 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1301540061 ZFTFKCXQNRGNIP-PERKRYKHSA-N 497.017 2.402 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC(OCc2ccccc2)CC1 1301578536 CZDAXFHPQHFYRL-UHFFFAOYSA-N 470.599 2.465 30 10 JEEE CC(C)(C)C(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2(C(N)=O)CCOCC2)C1 1302005257 DPMSTJVUXFCSEI-HXUWFJFHSA-N 493.612 2.230 30 10 JEEE CC(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1303171492 FEZXZPFPOCDDCY-OAQYLSRUSA-N 451.575 2.128 30 10 JEEE CCN1CCN(C[C@H](C)Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCO[C@H](C#N)C2)CC1 1313951001 CFDFXMOUQSMYDT-DXBBTUNJSA-N 473.666 2.199 30 10 JEEE CCS(=O)(=O)N(C)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cc(C)on2)CC1 1314539242 FCNRXYNCUOYTIF-UHFFFAOYSA-N 469.571 2.412 30 10 JEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H](C)CN1CCCCC1 1358941368 HQJNMTVZXDPFSN-IBGZPJMESA-N 458.632 2.387 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H](C)N(C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1358960261 AKEZACJWQCNHNS-FPOVZHCZSA-N 464.595 2.492 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1CCCS(=O)(=O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1358963956 QLOKQIPWDAHGCJ-IBGZPJMESA-N 492.667 2.357 30 10 JEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1C[C@@]1(C)CCCO1)[C@H]1CCS(=O)(=O)C1 1358965782 BDYRNZMFYIZQFK-GBXCKJPGSA-N 472.611 2.268 30 10 JEEE C#CCN(c1nnc(COCC)n1C[C@@H](C)c1nc(-c2ccccc2)no1)[C@H]1CCS(=O)(=O)C1 1358967552 MXXYOXDCJHIWDE-MJGOQNOKSA-N 484.582 2.295 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CCOC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1358968059 YJXAEUKZPJVHLP-SFHVURJKSA-N 464.563 2.438 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3CC)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1359038717 HOYULAJCAUNBIW-JOCHJYFZSA-N 464.614 2.433 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@@]2(C)COCCO2)CC1 1359042863 WZHONSLSCFBCOO-VWLOTQADSA-N 451.571 2.279 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@]2(C)CN(C)C2=O)CC1 1359043391 SBRGRUROJRZZSN-HSZRJFAPSA-N 454.962 2.043 30 10 JEEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 1359054052 ILYNDBVOCLFDIN-GOSISDBHSA-N 462.645 2.470 30 10 JEEE C=C(C)COCCn1c(N2CC(=O)N(C)C[C@H]2C)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1359136748 UEWMSOJXVYHBED-KURKYZTESA-N 462.595 2.308 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](C(=O)NC)C1 1359189616 PLNGOMLDJRHWSR-MSOLQXFVSA-N 492.621 2.140 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCCS(=O)(=O)C1 1359254656 YXNFHLFJZUUWKH-ICSRJNTNSA-N 473.599 2.255 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1359295078 PARJBNRHXWFHTA-HNNXBMFYSA-N 495.447 2.372 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(c2ccc(C(C)=O)cc2F)CC1 1359333288 SUHCETPCNFIULH-IBGZPJMESA-N 491.589 2.051 30 10 JEEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](C(F)F)C1 1359335082 ZQQQCXNIKRSRNN-AWEZNQCLSA-N 473.571 2.352 30 10 JEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2cnc(C)s2)CC1 1359343439 SXYIEHXWFTVDMO-KRWDZBQOSA-N 482.701 2.187 30 10 JEEE CC(=O)N1CCN(CCn2c(COc3ccc(C#N)cc3)nnc2N(C)OC2CCCC2)CC1 1359402156 PMORHDKFCZROBC-UHFFFAOYSA-N 467.574 2.203 30 10 JEEE N#Cc1ccc(CN2CC[C@H](NC(=O)N[C@H](CO)c3ccc(Br)cc3)C2=O)cc1 1478567050 DXNMAHRXMKPAQY-RBUKOAKNSA-N 457.328 2.454 30 10 JEEE CCOC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2([S@](C)=O)CC2)C1 1502524574 BJUQPUYNXINARK-UPTQXZAWSA-N 456.572 2.443 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2cnn(C)c2C)c1 1507549589 IDFXBICWSGKQEX-AREMUKBSSA-N 491.596 2.465 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](c2nc(C)cs2)C1 1507588203 HIVFHFUOHQLVGT-ROUUACIJSA-N 478.644 2.173 30 10 JEEE C#CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CCS(=O)(=O)CC=C 1507611899 SLHSGSNRZJBDPK-UHFFFAOYSA-N 453.362 2.386 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccc(OC)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 1507630702 FYNLUJNHDRFIFB-KRWDZBQOSA-N 474.974 2.016 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1Cc1nnc(CC)s1)[C@@H]1CCS(=O)(=O)C1 1507639468 KMFYOOZKNIJZEE-QGZVFWFLSA-N 486.623 2.254 30 10 JEEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1Cc1ccccc1CN1CCOCC1 1507672868 KPFCJCNVOXUEED-UHFFFAOYSA-N 471.609 2.483 30 10 JEEE C#CCN(CC)c1nnc(-c2cc3ccccc3o2)n1CCNS(=O)(=O)Cc1ccon1 1507682986 ZNNLGHORIPICKR-UHFFFAOYSA-N 454.512 2.258 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1Cc1cc(Br)ccc1OC 1507703207 SDIHTZRERORMLM-UHFFFAOYSA-N 464.364 2.322 30 10 JEEE C#CCN1CCN(c2nnc(CCCc3ccccc3)n2C[C@@H](C)CN2CCOCC2)CC1 1507727400 IORWCZBLPKMGCE-QHCPKHFHSA-N 450.631 2.177 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC(C)(C)C(F)(F)F)CC1 1507736489 QCIHEOXXIDOOBN-NRFANRHFSA-N 471.524 2.485 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1Cc1ccc(CN2CCC(O)CC2)cc1 1507759504 IHJIIDBDAJOLCA-AREMUKBSSA-N 464.614 2.413 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CCOC1 1507821331 YZPDPXADPBRDMT-VGOFRKELSA-N 451.568 2.140 30 10 JEEE C=C(C)Cn1c(N2CCC[C@@H](n3ccc(C(=O)NC)n3)C2)nnc1[C@]1(OC(C)C)CCOC1 1507835224 QHSVPBRYROVLQG-JPYJTQIMSA-N 457.579 2.292 30 10 JEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(C)(C)N2C[C@H](C)O[C@H](C)C2)CC1 1507896522 KITKVHDWGXEUTP-KSZLIROESA-N 468.668 2.179 30 10 JEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1507934586 GVKRCCGCUWCNNB-ROUUACIJSA-N 496.659 2.310 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2CCN(CC(F)(F)F)CC2)C1 1508126077 SVYQFMAAMXMLKR-IRXDYDNUSA-N 456.513 2.285 30 10 JEEE C[C@@H]1COCCN1c1nnc(-c2cccc(C#N)c2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1512538674 GGTXYLDITFKUFW-CRAIPNDOSA-N 450.465 2.305 30 10 JEEE CCCn1nc(-c2nnc(N(C)C[C@@H](C)C#N)n2C[C@@]2(OC)CCOC2)c2ccccc2c1=O 1514983469 FNPHRTPEWFLMEU-XDHUDOTRSA-N 465.558 2.466 30 10 JEEE N#Cc1ccc(OC2CCN(C(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)cc1 1520345603 MHWQCRPWMFJCPE-UHFFFAOYSA-N 455.536 2.263 30 10 JEEE C#CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(CCOC)CC1 1539071508 AUFUVURLOVBJAI-UHFFFAOYSA-N 452.607 2.024 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCCOC2)n1CCS(=O)(=O)NC(C)C 1539392968 YBEORZKDJYZBQO-LJQANCHMSA-N 463.579 2.279 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@H](c2cccs2)N(C)C)CC1 1539477390 LLHRRDYDIPRNGP-LJQANCHMSA-N 464.599 2.065 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@](C)(O)c2ccccc2)CC1 1539489168 RFHFTRQYMBIULD-AREMUKBSSA-N 475.597 2.013 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCn1cccn1 1539539964 ATWYJCDCRYMHQK-HSZRJFAPSA-N 467.599 2.474 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1539688602 KNCDVFRPZNJACW-IBGZPJMESA-N 456.572 2.335 30 10 JEEE C=CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCN1CCC[C@H]1C(=O)N(C)C 1540069855 YPQPZZVKUWDSII-NRFANRHFSA-N 492.628 2.240 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(C)CCCO1 1540186840 HNUZEXOWTFMZFU-UGKGYDQZSA-N 479.603 2.008 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](CC)NC(=O)OC(C)(C)C)C1 1540894930 HSHIZTMAPPSVRI-MSOLQXFVSA-N 462.595 2.485 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1540905454 WJMQNMITJPTUHW-GDBMZVCRSA-N 459.494 2.021 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cn2ccc3ccccc32)nnc1N1CCN(CC)[C@H](C)C1 1540906963 IBLGPJVLMWENCB-LJQANCHMSA-N 456.616 2.412 30 10 JEEE C[C@H](CN1CCCC1)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1541874390 FMGMPXZOJQMLRX-UYAOXDASSA-N 472.615 2.084 30 10 JEEE CC[C@@H](C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1)OC 1545282120 CEFMFZLKXJKTCJ-XLIONFOSSA-N 460.604 2.350 30 10 JEEE CCOC1CC(O)(Cn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@H](COC(C)C)C2)C1 1548039357 DNMWVLAKUXWZGH-DQBMGFJSSA-N 455.559 2.377 30 10 JEEE CCn1cc(C(=O)N2CCN(c3ccc(C#N)c(C(F)(F)F)c3)C[C@H]2C(=O)NC2CC2)cn1 1548369620 XDBWDXYZSNGMOX-IBGZPJMESA-N 460.460 2.403 30 10 JEEE COCC(C)(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1555219463 FTPXDYORPJHCLQ-IBGZPJMESA-N 456.595 2.433 30 10 JEEE COCCN(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1555519442 GWYQJFVORUOAFM-DVECYGJZSA-N 454.575 2.169 30 10 JEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 1585593440 GGHHKSRQOJUUFE-UHFFFAOYSA-N 456.511 2.169 30 10 JEEE C#CCN(c1nnc(CCOc2ccccc2)n1CC[C@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1588069061 GLHXIWBOHOQPKX-RBBKRZOGSA-N 472.611 2.486 30 10 JEEE C=C(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1593620968 KAXJIBMBPWKMND-ROUUACIJSA-N 479.585 2.136 30 10 JEEE C=C(Cl)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C[C@H]2CCOC2)CC1 1593887347 YOBLFPWDDIZHFW-RTBURBONSA-N 497.040 2.498 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1CCN(c2ccncc2)CC1 1595302973 ITKXBLDPRUBYMA-HXUWFJFHSA-N 474.631 2.131 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(CCN2[C@@H](C)CC[C@H]2C)CC1 1595501186 NKEJZDQAZAZAFI-KDURUIRLSA-N 455.607 2.144 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCO[C@@H](c2ccccc2Br)C1 1595529944 NMGXXHSMNHQWOS-GOSISDBHSA-N 484.358 2.378 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CC(=O)NC)CC1 1595659111 SJKTVRDLQUPZEL-LJQANCHMSA-N 452.559 2.195 30 10 JEEE CC(=O)c1cccc(S(=O)(=O)NCC(=O)N[C@@H](C#N)c2ccccc2Br)c1 1646346998 SFFNAPGZSNESBM-KRWDZBQOSA-N 450.314 2.311 30 10 JEEE C=C(C)COCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(CCC(N)=O)CC1 1690309515 CBZNBFQRJKZYRZ-UHFFFAOYSA-N 479.585 2.267 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C[C@@H](O)COc2ccccc2)CC1 1690343880 GNPFNZLOWFCCJS-WOJBJXKFSA-N 461.994 2.487 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@]1(O)CCN(C)C1 1690558458 QNZMXPVQKGGYFK-JWQCQUIFSA-N 466.586 2.061 30 10 JEEE C=CCN(CCOC)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@@]1(O)CCN(C)C1 1690615601 LPNVMQPCYJRIPN-OAQYLSRUSA-N 480.407 2.422 30 10 JEEE C=CCn1c(-c2ccccc2Br)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1690637925 XYJJBSKIUDAPIY-ZDUSSCGKSA-N 457.336 2.426 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCNC(=O)C1 1690715973 YYCPVPPNRMVVFP-MRXNPFEDSA-N 482.006 2.225 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2ccccn2)CC1 1690729009 CWGBSWOVRAUVTB-UHFFFAOYSA-N 493.593 2.051 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H](C(N)=O)C1 1690729364 NDUAIJFKOVWROJ-QGZVFWFLSA-N 475.615 2.067 30 10 JEEE CCCN1CCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1695394235 AJOCHAXNQDWHQI-UNMCSNQZSA-N 485.658 2.457 30 10 JEEE CO[C@@H]1COCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1697697714 BNGDITRVKDJQFV-ILWGZMRPSA-N 452.559 2.221 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1c(C)nn(Cc2ccccc2)c1C 1705476930 HCSCBYUAPDYDPV-WMZOPIPTSA-N 469.615 2.256 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CCSC1(C)C)[C@H]1CCS(=O)(=O)C1 1705561092 NGZHOQLDDNQROD-FGSXEWAUSA-N 482.672 2.089 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 1705571731 GSNBXDMTXCABNK-WJFTUGDTSA-N 450.605 2.002 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@](C)(O)c2cc(C)oc2C)CC1 1705633946 COEISUGKDQYGJV-VWLOTQADSA-N 497.621 2.221 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H]2CN(CC(C)C)CCO2)CC1 1705642637 BJXIHYDDJBRFQM-QHCPKHFHSA-N 470.593 2.108 30 10 JEEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCC(N2CCCNC2=O)CC1 1705664532 RQNVZOGPDIRSFK-UHFFFAOYSA-N 487.655 2.020 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1Cn1cccn1 1705716408 KEYMQIJDPPGMOU-JOCHJYFZSA-N 499.641 2.307 30 10 JEEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](Nc2ccccc2)C1 1705754639 CFBCLLJMNFKOMP-RTBURBONSA-N 481.022 2.444 30 10 JEEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1705825298 POKANXJZDXSXIH-UHFFFAOYSA-N 491.552 2.186 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCS(C)(=O)=O 1705884017 CKJZFVDQOHRORT-KRWDZBQOSA-N 471.624 2.076 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1705902674 LEJSHRUJLNSTJA-NRFANRHFSA-N 489.374 2.349 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1705932645 XIRSNVSJCMYWTH-HDICACEKSA-N 490.630 2.188 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CC[C@@](O)(c2ccccc2F)C1 1705935787 CXTYSCMHKWUNRS-VGSWGCGISA-N 464.563 2.010 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC(CC(N)=O)CC1 1705937279 OWNZAZKVVDTRPN-UHFFFAOYSA-N 470.599 2.043 30 10 JEEE CC(C)NC(=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1Cc1ccc(N2CCOCC2)nc1 1706585405 FSCSWDWRSIPBMZ-UHFFFAOYSA-N 474.569 2.204 30 10 JEEE CCN(CC)C(=O)CN1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCO2)CC1 1709998211 AEGPBSKVOKZFIT-QHCPKHFHSA-N 495.628 2.288 30 10 JEEE C#CCCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC(NC(C)=O)CC1 1722311792 ZTUQGZHSDWNKRZ-UHFFFAOYSA-N 471.631 2.455 30 10 JEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1 1722332110 CYEFODVBOVZPFY-OTWHNJEPSA-N 477.631 2.429 30 10 JEEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(N2CCC(CO)CC2)cc1 1722344806 SIKQZKNCYPJPNF-RUZDIDTESA-N 453.587 2.257 30 10 JEEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCCCN1CCOCC1 1722350229 QHPJSXDVGSTZHN-UHFFFAOYSA-N 463.586 2.418 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCOCC(=C)C)[C@H]1CCS(=O)(=O)C1 1722360156 ZKRRDIRXQCWHOB-NRFANRHFSA-N 485.610 2.367 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1Cc1ccc(C#N)o1)[C@H]1CCS(=O)(=O)C1 1722366095 PELMKZGZGYJDNH-SFHVURJKSA-N 465.535 2.017 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1Cc1cnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1722370553 CKJZPRPANLAJIC-GOSISDBHSA-N 482.591 2.169 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCC[C@H]1OC 1722375103 JTGCGGKXABTOLI-TZIWHRDSSA-N 455.584 2.083 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1(C(=O)NCC)CCC1 1722430695 HWFDTYKXXWVMOX-UHFFFAOYSA-N 461.570 2.441 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCCN(C)Cc2ccccc2)CC1 1722447965 RUIAODRNXWWGTH-QHCPKHFHSA-N 464.614 2.270 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2OC)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1722495349 GQNRAAIDWNYLTE-UGKGYDQZSA-N 496.612 2.108 30 10 JEEE C=C(Cl)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CC(=O)NC(C)C 1722551523 ALFJZYPMNGIEOC-OAHLLOKOSA-N 456.975 2.300 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@H](C2CC2)O[C@H](C)C1 1722691993 DCNVUEZHTLDRDY-YLJYHZDGSA-N 452.559 2.453 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)COC)CC1 1722707807 ZJRVYVNLEWXRMV-HXUWFJFHSA-N 455.559 2.080 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1722724388 VQVVBOOBSWZRCQ-AUSIDOKSSA-N 457.600 2.137 30 10 JEEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCS[C@H](C)[C@@H]1C 1722730015 FOSNENSFJSORGA-LSDHHAIUSA-N 469.658 2.201 30 10 JEEE Cc1ccccc1-c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC(=O)NCC(F)(F)F 1724582747 HWGPPAJBUJDKHT-MRXNPFEDSA-N 499.501 2.309 30 10 JEEE COCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1730772406 HYWMWXHNZHUCMH-LJQANCHMSA-N 462.558 2.497 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2CC2([S@](C)=O)CC2)c1 1740562346 IUCCZDHEUVXTJQ-UPTQXZAWSA-N 455.584 2.139 30 10 JEEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1740597122 PGBOTCHXIBMVFL-CEXWTWQISA-N 456.591 2.377 30 10 JEEE C#CCN(C)c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1C[C@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1740598631 YBVDPHAXNZHJQW-YTQUADARSA-N 474.606 2.290 30 10 JEEE C#CCN(c1nnc([C@@H](C)OCCOC)n1Cc1cscc1C)[C@H]1CCS(=O)(=O)C1 1740617222 NZVCFNXXKVOCEV-AEFFLSMTSA-N 452.602 2.047 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCN1CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1740620063 TVWIDTFZHDLFBV-ICSRJNTNSA-N 457.600 2.065 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CCS(=O)(=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1740621391 WPGLMXSQGUPGOI-SFHVURJKSA-N 499.058 2.439 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC[C@H](OC)C(F)(F)F 1740637754 CXIULPFDZHJYAL-KRWDZBQOSA-N 458.444 2.232 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1c(C)nn(C)c1C 1740671453 HQFJQIDMPDWNBP-IBGZPJMESA-N 457.579 2.445 30 10 JEEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC2(S(C)(=O)=O)CCC2)CC1 1740699826 VQFSKYJTYLHCHO-UHFFFAOYSA-N 471.627 2.196 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2C[C@@H]2CCC[C@H](O)C2)CC1 1740708692 ZECVQAHOTBURQE-IRLDBZIGSA-N 465.598 2.417 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCO[C@H]1C(C)C 1740731667 FMIAQGDVYNYMAP-QTDGGUCWSA-N 479.647 2.054 30 10 JEEE C=C(C)COCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(CCOC)[C@@H](C)C1 1740792946 NIZJEWDKGGLTCY-SFHVURJKSA-N 467.574 2.344 30 10 JEEE C=C1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC(=O)NCC(F)(F)F)CC1 1740824859 CXLPLTSSDKEPBT-OAHLLOKOSA-N 488.511 2.421 30 10 JEEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC2CCOCC2)CC1 1740843739 PAIHIRAYPYYJAQ-SFHVURJKSA-N 468.668 2.039 30 10 JEEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2ccccc2)CC1 1740864288 LQYIWDUUSLXZFP-HXUWFJFHSA-N 457.600 2.499 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC(n3ccc(C(F)(F)F)n3)CC2)nnc1[C@@]1(OCC)CCOC1 1740965701 RPTMOXUERFNMSX-OAQYLSRUSA-N 497.522 2.289 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cc4c(s3)CC[C@H](C)C4)n2CCNS(C)(=O)=O)C1 1740974915 QCQGGWUNYZFONK-DOTOQJQBSA-N 465.645 2.462 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(C2CC2)C(=O)C1 1740987092 OZQNUSKYZWFEAT-MRXNPFEDSA-N 494.017 2.483 30 10 JEEE CC(C)CN1CCO[C@H](Cn2c([C@H]3CCC(=O)N3)nnc2N(C)Cc2ccc(C#N)cc2)C1 1741571503 FSJHPRPSRIEJJF-LEWJYISDSA-N 451.575 2.094 30 10 JEEE C[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](CN2CCOCC2)C1)N(C)C 1741861917 BGTGFWKZUGRJMU-RBBKRZOGSA-N 467.618 2.227 30 10 JEEE C#CCCCCn1c(-c2ccccc2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1748709299 SENXXNUXHPUSIS-NRFANRHFSA-N 457.600 2.379 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@@H]1CSCCS1)[C@H]1CCS(=O)(=O)C1 1748818980 IEESZUSTQGFIFM-ZWKOTPCHSA-N 480.656 2.483 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1CCC1CCOCC1 1748940376 IXFDYGOEPADHST-KRWDZBQOSA-N 463.579 2.484 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](OC)C1CC1 1748965146 PPSPUNWAUYIHLL-RTBURBONSA-N 463.579 2.098 30 10 JEEE COc1ccccc1O[C@H](C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(C#N)C1 1749074310 DKMQCBDBOJDHLO-YVHKJVDXSA-N 476.603 2.494 30 10 JEEE C=C(C)CN(CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC1(O)CCS(=O)(=O)CC1 1749141426 CCMVSEDYEJCLHB-UHFFFAOYSA-N 475.615 2.489 30 10 JEEE C=C(Cl)Cn1c(Cc2csc(C)n2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1749276983 WQVRJADPXRWHGY-OAHLLOKOSA-N 452.028 2.423 30 10 JEEE C=CCCOCCn1c(CCc2ccccc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1749459166 AJIVUFLHLJLWSI-UHFFFAOYSA-N 452.559 2.177 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@H]1C[C@H](OCC)C1(C)C 1749656069 ZIOMMFOIWPJSBE-OALUTQOASA-N 475.615 2.291 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CCN(C(=O)OCC)CC1 1749657903 FOKPMGNHOIRQBH-UHFFFAOYSA-N 477.363 2.288 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1749660857 UVUDJRMJYJLIMD-NRFANRHFSA-N 481.557 2.059 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H](C)N2CCOCC2)C1 1749701797 YSWDBWRRUCGPMT-UYAOXDASSA-N 457.575 2.464 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@](C)(C(N)=O)C1 1749725076 OBVROOXVRLVSEE-QVKFZJNVSA-N 482.006 2.374 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CC[C@]2(CCCOC2)C1 1749736907 SDNTVYYCVBTRBA-HSZRJFAPSA-N 460.600 2.485 30 10 JEEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2N(C)CCCC2(C)C)CCN1S(C)(=O)=O 1750350258 DZTBUZZLIJNCET-GHTZIAJQSA-N 485.658 2.407 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2C[C@H]2CCOC[C@H]2OC)c1 1760128166 AJUQOBWIPRJMMD-KCZVDYSFSA-N 467.570 2.280 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccc(C)n3)n2CCNC(=O)C(C)C)c1 1760128660 OSLXTCHQWAZDAK-UHFFFAOYSA-N 459.554 2.477 30 10 JEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 1760178800 ATEDBUWOPJRURW-ZWKOTPCHSA-N 475.640 2.081 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(OC)nc2ccccc12 1760218314 CUYUUJYVKJHLFK-SFHVURJKSA-N 463.563 2.248 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCN(CC)C1 1760240628 XGDLEYWIPKIKNR-PKOBYXMFSA-N 462.595 2.009 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)c1c(C)noc1C 1760295021 LPOKFKSJNOBJMR-YBOAYWMSSA-N 476.603 2.012 30 10 JEEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1760434404 ZJIAVEWGTKTHOU-QHCPKHFHSA-N 486.598 2.129 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1760520238 HDSYHHWJJZRGJK-CYBMUJFWSA-N 470.883 2.406 30 10 JEEE C=CCOc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)CC2CC(F)C2)cc1 1760529826 LNHBGYWEJUAFAI-GZNCHQMQSA-N 493.605 2.408 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1760550735 HHPHLALRPZSLEW-XLIONFOSSA-N 480.034 2.356 30 10 JEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CC[C@H](c2ccccc2C)C1 1760557153 BJNXUNOEZLRSAV-IBGZPJMESA-N 457.600 2.304 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN1CCOCC1(C)C 1761360157 HFQNUKADPAWYMN-KRWDZBQOSA-N 464.574 2.041 30 10 JEEE CC[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1)OC 1764247412 AQFXDUXRJREKRC-RTWAWAEBSA-N 451.575 2.238 30 10 JEEE CCCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCO[C@H](C#N)C1 1766240303 DUHZPWCOZUGCHB-CYBMUJFWSA-N 451.300 2.102 30 10 JEEE CCN(CC)CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccco2)CC1 1766652311 FKJOUPASNHOVMD-UHFFFAOYSA-N 477.569 2.360 30 10 JEEE CCn1cccc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(CC(C)C)C(=O)C2)c1=O 1766960665 GTRFAALWBPXPES-UHFFFAOYSA-N 459.554 2.351 30 10 JEEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1CCCN1CCCO[C@H](C)C1 1769126913 DVNADOKIFSIYGG-RBUKOAKNSA-N 453.591 2.136 30 10 JEEE C=CCNC(=O)[C@H]1C[C@H](O)CN1C(=O)c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O 1861532407 IEXWXWULNFRQSM-IFXJQAMLSA-N 453.882 2.018 30 10 JEEE COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CCCO)cc(OC)c1O 1862632457 PBIOBTIBUXYAAI-LJQANCHMSA-N 457.435 2.099 30 10 JEEE C=CCn1cc(OCCCN2C(=O)c3ccccc3C2=O)c(=O)cc1CN1CCC(CO)CC1 1870375702 HXVZUGFQFFGVDP-UHFFFAOYSA-N 465.550 2.304 30 10 JEEE C=CCOc1ccccc1OCC(=O)N1CCN(C(=O)[C@H]2CC(=O)N(c3ccccc3)C2)CC1 1873782227 VCOUKKGIAZVDFF-FQEVSTJZSA-N 463.534 2.354 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](C(=O)NCCc1cccc(B2OC(C)(C)C(C)(C)O2)c1)C1COC1 2180967910 MLFNUAXZMQSKDA-LJQANCHMSA-N 460.380 2.184 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](NCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)[C@H](S(C)(=O)=O)C1 2192661438 XOKCZJBLOWEPMF-RTBURBONSA-N 480.436 2.108 30 10 JEEE Cn1nc(C(=O)N2CC[C@@H]2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2255650435 ZLOPJBWESJEXHM-GFCCVEGCSA-N 454.764 2.112 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](O)CN1C(=O)c1csc(B2OC(C)(C)C(C)(C)O2)c1 2255849661 CBSWYJGWPXRNNT-GJZGRUSLSA-N 452.382 2.147 30 10 JEEE Cc1csc(CNC(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2256677005 UGTURFLWDFWTNG-CQSZACIVSA-N 454.398 2.248 30 10 JEEE CO[C@H]1CN(C(=O)c2cc(C)c(B3OC(C)(C)C(C)(C)O3)o2)C[C@H]1NC(=O)OC(C)(C)C 2267131142 XKHPYJQFLZSYQP-ZBFHGGJFSA-N 450.341 2.251 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)CCO1 2267147025 NXKLMNFBKBTFSM-KBPBESRZSA-N 467.397 2.244 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(NS(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2267468478 WBDRJHIENJCJLU-BTYIYWSLSA-N 484.449 2.476 30 10 JEEE CCN(CCCOCc1ccccc1)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2267711913 SAVHTKALZBGMCV-UHFFFAOYSA-N 463.409 2.337 30 10 JEEE Cn1ncc(C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)c1NC(=O)OC(C)(C)C 2268629615 YPRVUUPKVAWASW-UHFFFAOYSA-N 463.369 2.453 30 10 JEEE Cc1c(C(=O)N[C@H]2C[C@@H](F)CN(C(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281794694 KDYYSXKNSRAGCL-CABCVRRESA-N 466.363 2.105 30 10 JEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@@H]1CN(C)CCN1Cc1ccccc1 2281808861 FDUYQFLPNQNTTG-HXUWFJFHSA-N 453.392 2.433 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@]2(CCNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2281928182 KDZFXWQCMIRORP-WNSKOXEYSA-N 460.384 2.476 30 10 JEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)CN1C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2282014026 DMFZEQKONZMYQC-HOTGVXAUSA-N 460.384 2.493 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2cccc(F)c2B2OC(C)(C)C(C)(C)O2)[C@@H](O)C1 2282412825 VNPNXJSJHNOEFN-SJORKVTESA-N 464.343 2.225 30 10 JEEE Cn1cc(C(=O)N2CCC23CC(CNC(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)n1 2282580272 QYCWUANEIMRNAY-UHFFFAOYSA-N 460.384 2.239 30 10 JEEE Cn1cc(C(=O)N2CC[C@H]3CN(Cc4ccccc4)C[C@H]3C2)c(B2OC(C)(C)C(C)(C)O2)n1 2282598446 NZBYUDINYUWPON-PMACEKPBSA-N 450.392 2.313 30 10 JEEE CC(C)(C)OC(=O)NCCOCCCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1O 2282977899 GHGGSMKMCWVRSK-UHFFFAOYSA-N 464.368 2.353 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)NC[C@@H]1CCCCN1C(=O)C(F)(F)F 2285209433 VZMFAHKZETVMQT-HNNXBMFYSA-N 455.286 2.362 30 10 JEEE COc1cccc([C@H]2C(=C(O)c3ccc(OC)c(OC)c3)C(=O)C(=O)N2CCN2CCOCC2)c1 2296098908 LULGIUARFHNSQP-QHCPKHFHSA-N 482.533 2.466 30 10 JEEE COc1cc(C=NNc2nc3c(c(=O)n(C)c(=O)n3C)n2CC=Cc2ccccc2)ccc1O 2296160180 DKODTGAAERUVAK-UHFFFAOYSA-N 460.494 2.307 30 10 JEEE Cc1ncc(C(O)=C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(F)cc2)c(C)n1 2296620609 USMPAZNGMGPXKS-OAQYLSRUSA-N 454.502 2.377 30 10 JEEE CC#CCN(CC(=O)N[C@]1(C(=O)O)CCCN(C(=O)OC(C)(C)C)C1)C(=O)OC(C)(C)C 2316063218 MPDHJDMWSFZJEL-JOCHJYFZSA-N 453.536 2.217 30 10 JEEE COc1ccc(N2C[C@@H](c3nnc(SCC(N)=O)n3N=Cc3cccs3)CC2=O)cc1 2325880651 DIPWXERPKFPWKM-ZDUSSCGKSA-N 456.553 2.328 30 10 JEEE CO[C@H](CNC(=O)OC(C)(C)C)C(=O)N1CCc2scc(B3OC(C)(C)C(C)(C)O3)c2C1 2336502666 ZJYOVPARQPKMLH-MRXNPFEDSA-N 466.409 2.472 30 10 JEEE CC(C)(C)OC(=O)NC1(C(=O)N2CCc3scc(B4OC(C)(C)C(C)(C)O4)c3C2)COC1 2336503016 DGAYLXZHYVMWSD-UHFFFAOYSA-N 464.393 2.226 30 10 JEEE Cn1cc(C(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)CC23CC3)c(B2OC(C)(C)C(C)(C)O2)n1 2361543624 RNDBUHMNDVDHJC-HNNXBMFYSA-N 460.384 2.096 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H](C)C[C@@H](NC(=O)OC(C)(C)C)C2)n1C 2362494768 RQNJFJZBELLCHV-GDBMZVCRSA-N 462.400 2.403 30 10 JEEE C[C@H]1OC2(CNC(=O)OC(C)(C)C)CC1(NC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1)C2 2362562099 MLBQVEOIMAWUHF-ZOEHTXHGSA-N 479.408 2.387 30 10 JEEE C/C(=N\Nc1nc(SCCC(=O)Nc2ccc(S(N)(=O)=O)cc2)n[nH]1)c1ccccc1 20835225 VRWGUUQKIDIUJD-YDZHTSKRSA-N 459.557 2.409 30 10 JEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2OC)c(=O)n1-c1ccccc1C 514648740 TWCIDHAVMBUHCC-UHFFFAOYSA-N 461.543 2.030 30 10 JEEE O=C(O)C#CCNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)OCC1c2ccccc2-c2ccccc21 757542567 XGHZKFABWHAJHL-QFIPXVFZSA-N 458.474 2.064 30 10 JEEE C#CCN(CC)C(=O)c1n[nH]c(C2CN(C(=O)OC(C)(C)C)C2)c1I 1136378333 FYZOVKDIACQHIX-UHFFFAOYSA-N 458.300 2.444 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCc1cnn(C)c1 1286294081 BGDBNNRXGUJGIL-HKUYNNGSSA-N 457.579 2.411 30 10 JEEE C#CCN(C)c1nnc([C@H]2COc3ccccc3O2)n1CCNS(=O)(=O)c1ccc(C)s1 1286376009 CEQIYPDDNVSBFM-GOSISDBHSA-N 473.580 2.208 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1Cc1ccc(Cn2cccn2)cc1)[C@@H]1CCS(=O)(=O)C1 1286391324 COSSIZZWRBEOTD-JOCHJYFZSA-N 466.611 2.396 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCC1CCC(OC)CC1)[C@@H]1CCS(=O)(=O)C1 1286397277 YSIWPJXYARBABB-JWFWCLOMSA-N 464.632 2.394 30 10 JEEE C=C(C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(CC(=O)N(C)C)CC1 1286592930 CHOPSFQBLSLPLS-LJQANCHMSA-N 475.638 2.179 30 10 JEEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCC(C)(c2nc(C)no2)CC1 1286790196 JWLZSCINIUUQAY-UHFFFAOYSA-N 465.558 2.451 30 10 JEEE CCN(CC)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCC[C@@H]2C)CC1 1295335765 GUJSIMSEPQINKC-FNZWTVRRSA-N 479.629 2.358 30 10 JEEE C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)N[C@H]2CNC(=O)C2)ccc1Cl 1295928591 CHHWFOFPCDVFFL-OAHLLOKOSA-N 451.907 2.479 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1(N2CCOCC2)CC1 1300330087 VJEMYSYICKRNOK-GBESFXJTSA-N 458.607 2.372 30 10 JEEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(CC(=O)N2CCc3ccccc32)CC1 1300381691 IFLNCCZQIJIBNX-UHFFFAOYSA-N 491.640 2.321 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCCc1c[nH]c2ccccc12)[C@@H]1CCS(=O)(=O)C1 1300478726 ANAJYFUYXWZKDT-LJQANCHMSA-N 482.610 2.157 30 10 JEEE C#CCN(c1nnc([C@H]2COc3ccccc3O2)n1CC(=C)Br)[C@H]1CCS(=O)(=O)C1 1300496436 RICDXZPLJRXPEL-MAUKXSAKSA-N 493.383 2.326 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1Cc1cccnc1OCC)[C@H]1CCS(=O)(=O)C1 1300498097 GQWXKPQZTKMAAK-FQEVSTJZSA-N 483.569 2.477 30 10 JEEE C#CCN(CC#CC)c1nnc(Cc2ccsc2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1300587184 IHKMFQSTCDWAAE-OAQYLSRUSA-N 452.628 2.336 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCN(C2CC2)C1 1300642602 LKTQLCURMRBEHC-MJGOQNOKSA-N 474.606 2.152 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1CCC(=O)N1CCCCC1 1300643637 UATSXQDEZFZGEY-SFHVURJKSA-N 490.605 2.070 30 10 JEEE COc1ccccc1OCc1nnc(N2CCC[C@](C)(C#N)C2)n1CCNC(=O)c1cc[nH]n1 1300645936 DBNZYIIPUUWJNE-HSZRJFAPSA-N 464.530 2.149 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@]1(O)CCO[C@H]1C 1300665447 JOSRSSBPCQVPIU-GLDPYIMESA-N 477.606 2.019 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(=O)NCC1CC1 1300666461 ZRTWNABHJUOMKS-LJQANCHMSA-N 474.606 2.005 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@]2(O)CCO[C@H]2C)CC1 1300682806 KARZGJPNYNOUHS-IUKKYPGJSA-N 459.978 2.367 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CC2(C)COC2)CC1 1300730707 FAEIBQPCJWLQDF-UHFFFAOYSA-N 451.571 2.476 30 10 JEEE C=C(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1300927657 WBZHEGTWTGWZOV-LJQANCHMSA-N 472.977 2.265 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@H](CN(C)CCC)C1 1301502563 KOERZDRWCZUXEZ-WIYYLYMNSA-N 454.575 2.261 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1301577624 RFULYVMEBSXTEO-NRFANRHFSA-N 486.598 2.349 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@@H](c2nnc(N3CC[C@](F)(C#N)C3)n2CC2(S(C)(=O)=O)CC2)C1 1302221557 FAKRVPGGAGKWOZ-IERDGZPVSA-N 496.609 2.412 30 10 JEEE C#CC[C@@]1(C(=O)Nc2ccc(CC(=O)NCC(=O)OC)cc2)CCCN1C(=O)OC(C)(C)C 1350538833 NAHRNDTXJDOCIA-DEOSSOPVSA-N 457.527 2.250 30 10 JEEE C#CCCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1358906665 PDHGOLLJZMJNHX-UHFFFAOYSA-N 482.585 2.340 30 10 JEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC[C@@H](OC)C(F)(F)F 1358941565 PEVZMAOTZFJZJN-MRXNPFEDSA-N 459.494 2.232 30 10 JEEE C#CCN(c1nnc(C2CCN(c3ncccn3)CC2)n1CCCC=C)[C@H]1CCS(=O)(=O)C1 1358963772 NURGPBUDYNHIPD-FQEVSTJZSA-N 469.615 2.045 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCSC1)[C@H]1CCS(=O)(=O)C1 1358966242 KTJZBFJPDJACHU-MOPGFXCFSA-N 471.608 2.109 30 10 JEEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CCN(C)C(=O)OC(C)(C)C)CC1 1359037718 UUPUEEKYRMLPGJ-UHFFFAOYSA-N 459.620 2.256 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCCc1nc(C)cs1 1359070953 YTCSMNUZZOEXKM-XMSQKQJNSA-N 492.671 2.391 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCOc2ccccc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1359103503 PCJFDTRXJGVNKQ-BKULYWANSA-N 469.586 2.222 30 10 JEEE C=C(C)COCCn1c(-c2ccccc2F)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1359130702 UEWLBBRFSYXKMA-OAQYLSRUSA-N 456.566 2.420 30 10 JEEE C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1CCN(CCOc2cccc(OC)c2)CC1 1359154087 CTDJUASBMUOGAO-UHFFFAOYSA-N 474.993 2.363 30 10 JEEE C=CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(=O)(=O)N(CCC)CCC)CC1 1359284826 PSAAHWWGSJMBLG-UHFFFAOYSA-N 457.604 2.492 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1359332373 WBSLWZVKCQKRKQ-IRXDYDNUSA-N 467.617 2.116 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CC[C@H](CN2CCCCC2)C1 1359334100 SLXAULITXUZBSS-OAQYLSRUSA-N 458.632 2.177 30 10 JEEE C=CCSCCn1c(Cc2ccccc2OC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1359343988 HRJVCAHPRRBTRT-SFHVURJKSA-N 470.599 2.269 30 10 JEEE C=C(Cl)C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(=O)OCC 1438403373 PXYKGYPPFADYSN-SFHVURJKSA-N 453.948 2.149 30 10 JEEE N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCCN(C(=O)CCc3ccccc3)CC2)cc1 1445340343 CWVDATFYJHURKI-UHFFFAOYSA-N 453.564 2.167 30 10 JEEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N[C@@H](CO)CN(C)C)c1 1449058214 GWEHJXUFHJZBOC-QGZVFWFLSA-N 451.976 2.374 30 10 JEEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCS(C)(=O)=O)CCN(C2CCC2)C1 1494475613 BWYQAVYDJLOCCP-GOSISDBHSA-N 472.615 2.084 30 10 JEEE CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)C(C)(C)C)C[C@@H]1C 1502330852 DHJNPGXGXWSOLX-SFHVURJKSA-N 453.591 2.421 30 10 JEEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1cnccc1OC 1507657623 UODHPIPIDPMKRY-UHFFFAOYSA-N 469.593 2.168 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2COc3ccccc3O2)n1CCCN1CCN(CC)CC1 1507671273 IAEAPCASOXVBAW-XMMPIXPASA-N 462.598 2.281 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(SC)cc1 1507690327 RBLFOIUPKRFCDP-LJQANCHMSA-N 463.629 2.035 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CCOC[C@H]1OC 1507704391 ZMUJDEYKDGHUCX-MAUKXSAKSA-N 466.380 2.184 30 10 JEEE C=C(Br)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C[C@H]2CCCO2)CC1 1507774796 CHPKACSXYQAHOR-QGZVFWFLSA-N 469.428 2.406 30 10 JEEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(CN2CCOCC2)CC1 1507835575 FTOHELGJSYEMHO-UHFFFAOYSA-N 469.590 2.067 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)c2ccccc2OCC)CC1 1508091578 VMSDJIKMLRHXBE-NRFANRHFSA-N 482.585 2.183 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCCCCC1 1508141798 ZMUDLSGIFSTUIX-UHFFFAOYSA-N 456.572 2.173 30 10 JEEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](CN2CCOCC2)C1 1508148588 VFCVISXQFGJOAI-GOSISDBHSA-N 457.604 2.003 30 10 JEEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1508158654 IBSPHJGHWCAZSY-SFHVURJKSA-N 455.563 2.486 30 10 JEEE CC(C)NS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1509776617 BEBNPVIHVWXRFN-NRFANRHFSA-N 481.582 2.117 30 10 JEEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@H]1CCc2c1ccc(F)c2Br 1526241344 BAWGMABUBJLAEE-AWEZNQCLSA-N 452.305 2.430 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N(CC)C(=O)OC(C)(C)C 1539015993 SCKXLHGGHPWQCR-BBWFWOEESA-N 453.609 2.284 30 10 JEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2cc(F)cc(C)c2C1 1539071465 ADAUJCNPWBTMOA-NRFANRHFSA-N 475.590 2.425 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1C[C@]1(OC)CCOC1)[C@H]1CCS(=O)(=O)C1 1539210773 DNZHJVCHLVTBKU-GHTZIAJQSA-N 464.975 2.031 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1Cc1ncccc1C)[C@H]1CCS(=O)(=O)C1 1539210899 HRKSENYSPDPFGU-SFHVURJKSA-N 451.552 2.332 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@H]1CCCN1S(C)(=O)=O 1539240120 XPNNYYUEGVCNAV-QZTJIDSGSA-N 459.547 2.054 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1ccc(OC)nc1 1539259311 CHXCCMYLDQHGJQ-UHFFFAOYSA-N 453.506 2.200 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2noc3c2COCC3)n1CC(=O)N(C)CC 1539390802 VVCIWERJGOJZNU-UHFFFAOYSA-N 452.490 2.263 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@]2(O)CCN(C)C2)CC1 1539470448 PUMLGYIEZJZCHD-MHZLTWQESA-N 478.641 2.275 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](C)Oc2cccc(OC)c2)CC1 1539480886 FSSOMOOSKCIWMY-UYAOXDASSA-N 467.570 2.224 30 10 JEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(F)c(OC)c2)CC1 1539744756 VVAVLZCQGNIWNM-LJQANCHMSA-N 458.538 2.296 30 10 JEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Oc1ccc(Cl)cc1 1540072730 MVLXKAWVWGQKBA-CRAIPNDOSA-N 469.995 2.354 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CCO[C@H](Cn2cccn2)C1 1540899328 KKFSCHKINMUABD-NRFANRHFSA-N 470.599 2.210 30 10 JEEE CC1(C)CN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(=O)(=O)Cc2ccon2)CCS1 1542007818 CCTSRWXCRMEBOI-UHFFFAOYSA-N 487.611 2.256 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)N2CCCN(C(=O)c3cccc(F)c3)CC2)[C@H](C#N)C1 1564530669 HCLOJUIAYSKMJV-IEBWSBKVSA-N 459.522 2.442 30 10 JEEE Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 1569982760 CAJGFSGLYAIBCA-CQSZACIVSA-N 454.512 2.401 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1CC1(O)CCS(=O)(=O)CC1 1587585918 HOXRXVBZXJZKTI-LBPRGKRZSA-N 473.418 2.167 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2CCCN2C[C@H](C)O[C@H](C)C2)c1 1587693327 RHCCQJQTUYIMLB-RZUBCFFCSA-N 480.613 2.338 30 10 JEEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CCc1ccccc1C)[C@H]1CCS(=O)(=O)C1 1588034750 LHXKLTSZAZMXPZ-XUZZJYLKSA-N 472.611 2.108 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CCOc1ccc(F)c(F)c1)[C@H]1CCS(=O)(=O)C1 1588064524 JRRFGBSONUXOEJ-SFHVURJKSA-N 487.532 2.248 30 10 JEEE C#CCN(c1nnc(CN2CCCC2=O)n1CC[C@@H](C)c1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1588069837 TXGNVBJWNGBODJ-CTNGQTDRSA-N 499.637 2.230 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1([S@](C)=O)CCC1 1588550144 JGZHNAMWGLJMNG-DRKIFQHWSA-N 478.615 2.260 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC[S@](=O)CC)CC1 1588890924 IOGGGOIGIJVXSQ-UGAOPGRHSA-N 475.590 2.292 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OC)n2C[C@H]2CCCOC2)CC1 1588967727 AGVMQNHZOWWVPV-LJQANCHMSA-N 467.570 2.258 30 10 JEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1588984229 GQUIPSBAUNQCEC-QGZVFWFLSA-N 470.624 2.420 30 10 JEEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1589059305 DPOXMWHBRQYGOK-MRXNPFEDSA-N 461.617 2.245 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)OCCOC)n1CC1(NC(=O)OC(C)(C)C)COC1 1589150054 BWYWMDUVOFEJDP-HTAPYJJXSA-N 463.579 2.288 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cccc(C(C)(C)O)c2)CC1 1594240968 DAPUPRKVRZYXDV-OAQYLSRUSA-N 489.642 2.289 30 10 JEEE CC(C)CN1CCC[C@@H](Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCO[C@H](C#N)C2)C1 1607447915 BZCUZHDINSDFGU-TZIWHRDSSA-N 486.642 2.445 30 10 JEEE C#CCNC(=O)CN1CCCN(C(=O)CCOc2ccc(Cl)cc2Br)CC1 1615208498 BFZIMHSLJDUZNB-UHFFFAOYSA-N 456.768 2.155 30 10 JEEE COCC(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCOC[C@H]2C)CC1 1619556834 CXYWSJIMTGNTIM-QUCCMNQESA-N 482.585 2.133 30 10 JEEE C=CCn1c(SCC(=O)N2C[C@@]3(C)C(=O)NC(=O)[C@@]3(C)C2)nnc1-c1ccc(Cl)cc1 1635368455 OLAXGALHNLTMRW-OYRHEFFESA-N 459.959 2.388 30 10 JEEE N#Cc1ccc(F)c(CS(=O)(=O)N2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1 1659326588 DFKNORSSKFDILJ-UHFFFAOYSA-N 455.508 2.063 30 10 JEEE C=CCS(=O)(=O)CCNS(=O)(=O)c1csc(-c2ccc(Br)cc2)n1 1662402540 MHCSHBOCUCYLON-UHFFFAOYSA-N 451.389 2.452 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1CC[C@H](SCC)C1 1689929715 CPFLSWCAKMPDFP-SQNIBIBYSA-N 455.650 2.135 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@@H](C)N(C)C1CC1)[C@H]1CCS(=O)(=O)C1 1689982013 GDUGZMDRHRSFSW-XLIONFOSSA-N 457.600 2.063 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1689982137 ILVLZAIYPKESLM-FQEVSTJZSA-N 457.600 2.066 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCC1CC(OCC)C1)[C@@H]1CCS(=O)(=O)C1 1689990786 RSCGMQLILLXPLR-NBDWZHNGSA-N 450.605 2.352 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(CC)s1)[C@@H]1CCS(=O)(=O)C1 1689997063 VDNAXCBPWKFOLE-GOSISDBHSA-N 472.640 2.439 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(O)CCC[C@H]1C 1690103842 HRVOOPOEMPMAFM-IMWIBFENSA-N 477.606 2.224 30 10 JEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(=O)c2ccsc2)CC1 1690470590 GGRTXRQXNAWGJX-INIZCTEOSA-N 466.633 2.269 30 10 JEEE C=CCCOCCn1c([C@H]2COc3ccccc3O2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1690508471 JSDLUJQDJUBFOQ-FXAWDEMLSA-N 462.572 2.397 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cccnc2OCC(F)F)C1 1690700473 SPMBTMLZAJVNRZ-IAGOWNOFSA-N 483.541 2.049 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@@H]2CCC[C@@H]21 1690715725 SJFOOASGLPZTTL-WMZOPIPTSA-N 463.991 2.451 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1690724809 WWZYFMNXLKQRCT-NRFANRHFSA-N 488.589 2.458 30 10 JEEE C=CCSCCn1c(Cc2ccncc2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1690749030 OZZIWVLKVXHECN-UHFFFAOYSA-N 469.659 2.318 30 10 JEEE CC(C)NS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(C(C)C)CC1 1692571469 DBZPDKAJSIQYDZ-UHFFFAOYSA-N 459.620 2.065 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1705477800 SAUAWFHKGJYCLT-MDOVXXIYSA-N 452.964 2.079 30 10 JEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ccc(-n2ccnc2C)nc1 1705544883 HNHIXMJIFUAWPZ-UHFFFAOYSA-N 490.593 2.202 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1cc(F)cc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1705563719 DEJXSHDNAWSXOO-GOSISDBHSA-N 455.515 2.163 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccnc2)n1CCN1CCCS1(=O)=O 1705624932 ASERICQFZTXTDC-UHFFFAOYSA-N 454.531 2.155 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)ccc3Br)n2Cc2ccn(C)n2)CC1 1705634461 WYSNWIBIUSDIDB-UHFFFAOYSA-N 470.375 2.253 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CC(C)(C)N2CCCCC2)CC1 1705650667 WQOARSPNIFVHTP-UHFFFAOYSA-N 463.630 2.494 30 10 JEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2ccc(Cl)cc2)C1 1705653839 QVXGDFAALRVJLZ-CRAIPNDOSA-N 484.047 2.486 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1705694040 NIEKWEKVATVZAX-VQTJNVASSA-N 474.606 2.410 30 10 JEEE C=C(C)COCCn1c([C@H](C)CC)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1705731539 WQAPIMXQDBDUJA-MOPGFXCFSA-N 455.625 2.015 30 10 JEEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1705731927 ITMQNGGVFLZABT-FDDCHVKYSA-N 476.599 2.326 30 10 JEEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cccc(N2CCOCC2)n1 1705843559 IPJASXJGZHARRD-HXUWFJFHSA-N 499.616 2.489 30 10 JEEE C=CCN(c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](C)N1CCOCC1)C1CC1 1705853691 DNBFSCVVLSVPLH-AZUAARDMSA-N 476.622 2.462 30 10 JEEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(N2CCCC2=O)c1 1705880185 XRGLDUDFMBGMJF-UHFFFAOYSA-N 452.559 2.328 30 10 JEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1705946485 JCOLHHFOKQVGCO-HUUCEWRRSA-N 467.583 2.172 30 10 JEEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CC(F)(F)CO2)[C@@H](C)C1 1705998180 VRVHQFMRGRBYPU-HNAYVOBHSA-N 460.485 2.210 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)(C)c1ccc2c(c1)OCCO2 1706848668 GUFQNVINBRLEJL-JKSUJKDBSA-N 476.603 2.376 30 10 JEEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(C(C)(C)C)n1CCN1CCOCC1(C)C 1708152254 BIVLDJTURCLXRL-GOSISDBHSA-N 467.622 2.063 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@]1(C)CN(C)C1=O)[C@H]1CCS(=O)(=O)C1 1722364646 MEBJTPURFXLKKZ-RLSLOFABSA-N 499.637 2.140 30 10 JEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2nccs2)C1 1722738422 JEOIBRZJHQJHBP-HUUCEWRRSA-N 455.631 2.134 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1[C@H]1C[C@H](c2ccc(F)cc2)C1 1740552984 PTYYJMNKAAUBET-RARDXLECSA-N 461.563 2.327 30 10 JEEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1CC1(O)CCCCC1)[C@H]1CCS(=O)(=O)C1 1740628048 MUUQYZVVPAVGLM-IBGZPJMESA-N 488.610 2.188 30 10 JEEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1740723864 VDHGTNVEBKTBDF-IFMALSPDSA-N 488.702 2.308 30 10 JEEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1740744274 QPCAOYBCAOAMCT-INIZCTEOSA-N 475.395 2.321 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccc2OC)nnc1N1CCO[C@H](CNC(C)=O)C1 1740758837 CLCFOKSRGPBCNK-LGVFNWMJSA-N 469.586 2.200 30 10 JEEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1740790125 BUFLOKICBKPMHU-QFIPXVFZSA-N 463.586 2.225 30 10 JEEE C=CCCOCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCN(C(=O)NC)CC1 1740885028 VHCMCUWTNBXJDU-UHFFFAOYSA-N 494.600 2.290 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1740957102 BCCONVOQLZWFSM-UHFFFAOYSA-N 492.584 2.490 30 10 JEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC(NC(=O)c2ccsc2)CC1 1740962079 RURMNIITEGIZMV-UHFFFAOYSA-N 485.639 2.396 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)cc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1740978605 ZFQMIHDRTHLNCQ-KFGJJWJMSA-N 464.526 2.261 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N(C)Cc1ccc(OC)c(O)c1 1740991371 VHXDLROFSBUZHB-KRWDZBQOSA-N 450.561 2.124 30 10 JEEE CCCNC(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1745784946 BMOSPTOWDKDXAA-GOSISDBHSA-N 491.575 2.301 30 10 JEEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1748703611 UPSWGXCWEHNADV-RTWAWAEBSA-N 484.626 2.246 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1748804317 FSQRCHRSBQVPAR-QUCCMNQESA-N 475.590 2.280 30 10 JEEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H](c1ccccc1)N1CCOCC1 1748830521 XXGBCNBDZWCEQL-SHQCIBLASA-N 477.609 2.465 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCS(=O)(=O)N(C)C 1748867588 JXIWPKONQATDHT-HXUWFJFHSA-N 457.600 2.389 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCCN1C[C@@H](C)C[C@H](C)C1 1748892071 INZJPUDPMYYORD-FDFHNCONSA-N 459.660 2.401 30 10 JEEE C#CCN1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2C[C@@H](CCC)OC)CC1 1748977980 GWBIFNAKOAYIMB-LJQANCHMSA-N 473.647 2.117 30 10 JEEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1749044388 QHZIVIGHVSMVIV-RTBURBONSA-N 488.683 2.183 30 10 JEEE C=C(C)COCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1749223743 ZHQRBLZNPYUUEB-UHFFFAOYSA-N 485.614 2.195 30 10 JEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2csc(CC)n2)CC1 1749226443 QBMQDFROUVSYAA-GOSISDBHSA-N 459.620 2.163 30 10 JEEE C=C(Cl)Cn1c(N2CCN([C@H](C(N)=O)c3ccccc3)CC2)nnc1[C@]1(OCC)CCOC1 1749283980 FUCMCTJBFZMTHO-CVDCTZTESA-N 474.993 2.031 30 10 JEEE C=C1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2cccc(S(=O)(=O)NC)c2)CC1 1749312641 QHTNPVURGDBNAL-UHFFFAOYSA-N 486.623 2.382 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1749665762 BUMLZVYXCTXIFY-SFHVURJKSA-N 463.542 2.255 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCN(Cc3csc(C)n3)CC2)nnc1C(C)(C)C 1749739670 JFXUHRFDMODCEV-UHFFFAOYSA-N 452.650 2.264 30 10 JEEE CSC1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(C(C)=O)CC2)CCN(C)CC1 1750257694 AOKQDMFNRJXWFE-UHFFFAOYSA-N 453.616 2.313 30 10 JEEE N#C[C@]1(F)CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H]2CCCS(=O)(=O)C2)C1 1750377313 AGXFCVMKJFFMDT-HRAATJIYSA-N 494.980 2.128 30 10 JEEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(F)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 1760180306 BYNCSHUTXHPAKF-HTAPYJJXSA-N 496.992 2.398 30 10 JEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H]1CCOC[C@H]1OC)[C@@H]1CCS(=O)(=O)C1 1760186364 MMVNTVZPDSMPLW-CEWLAPEOSA-N 493.029 2.201 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1CCOCc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1760189949 SLBWMJVVGDAFFB-OAQYLSRUSA-N 481.578 2.192 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H](OC)C(C)(C)C 1760196664 KRNPASYPFLBYSC-HXUWFJFHSA-N 457.600 2.329 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@]2(O)CCO[C@@H]2C)CC1 1760267708 WVGSZMJVUPYQBP-WAIKUNEKSA-N 457.962 2.104 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OCC)n2C[C@]2(C)COCCO2)CC1 1760273593 ZLGJBCWCEASWLE-AREMUKBSSA-N 497.596 2.027 30 10 JEEE C#CCSCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@](C)(C(=O)NC)C1 1760274035 HCOVCOUGZHWWBL-QHCPKHFHSA-N 473.599 2.300 30 10 JEEE C#CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)CCN1CCOC(C)(C)C1 1760279823 AHJCEBKYTBMPJH-UHFFFAOYSA-N 498.701 2.366 30 10 JEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CC[C@@H](C(=O)N(C)c2ccccc2)C1 1760284397 LPIYJBCHHAIJQQ-LJQANCHMSA-N 466.611 2.256 30 10 JEEE C=C1CCN(c2nnc(CCN3CCN(c4ccccc4)CC3)n2CC(=O)NCC(F)F)CC1 1760391830 SXYSRIZIFMBUGP-UHFFFAOYSA-N 473.572 2.181 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](CC)C1 1760523082 LTYCMSQSMZKSKX-IAGOWNOFSA-N 470.578 2.167 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC(=O)N2CCOCC2)C1 1760537300 MQURNDPJYNQGIM-QZTJIDSGSA-N 459.522 2.197 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1C[C@H]2CCCN2C[C@H]1C 1760557423 LCEWKAKLILRMDV-WOJBJXKFSA-N 459.616 2.439 30 10 JEEE CCN(C[C@@H]1CCCO1)c1nnc(COc2ccc(C#N)cc2)n1CCN1CCOC[C@H]1C 1765171988 FRLURWMCHNLAPT-KNQAVFIVSA-N 454.575 2.455 30 10 JEEE COc1ccc(C(C)(C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)cc1 1768422458 DXNVSPCYHPYDBH-QVKFZJNVSA-N 464.567 2.317 30 10 JEEE COc1ccc(OCc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H]2CCCCS2(=O)=O)cc1 1768733375 HSDASVIYXDAWRT-RXVVDRJESA-N 463.535 2.275 30 10 JEEE COCCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(N2CCOCC2)CCSC1 1771073740 FCBUHEDMNQBTQV-HSZRJFAPSA-N 472.615 2.019 30 10 JEEE CCN1C(=O)COc2ccc(-c3nn(-c4cccc(OC)c4)cc3/C=N\NC(N)=S)cc21 1857807197 VFQQTZLKNJZBHQ-MYKKPKGFSA-N 450.524 2.460 30 10 JEEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1ccc(O)c([N+](=O)[O-])c1 1862415765 FYDJNIFVJZEXBM-SFHVURJKSA-N 461.377 2.293 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H](C)O)[C@@H]2c2ccc3c(c2)OCCO3)cc1OC 1862574413 PJOXJHJXOAIBOP-LRTDBIEQSA-N 455.463 2.434 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H](C)O)[C@H]2c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 1862697997 XTHFEXNDHLFPIN-YUNKPMOVSA-N 470.434 2.334 30 10 JEEE C=CCOc1ccccc1[C@@H]1C(C(=O)NCCNC(C)=O)=C(N)Oc2c1c(C(F)(F)F)nn2CC 1864321850 BDQCYFPLEKDCGM-INIZCTEOSA-N 493.486 2.434 30 10 JEEE COc1cc(C(=O)Nc2c(C#N)nnn2-c2ccc(NC(C)=O)cc2)c([N+](=O)[O-])cc1OC 1870157200 PSZOJGYECBEJDX-UHFFFAOYSA-N 451.399 2.275 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)Nc2cc(C)ccc2OC)cn1CCOCCO 1870426687 JOGMHVRSWOVNBD-UHFFFAOYSA-N 485.581 2.366 30 10 JEEE CCCNC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1ccc(O)c([N+](=O)[O-])c1 1874338088 MQPIYAYMQVTOLS-MQEPLNOPSA-N 489.558 2.117 30 10 JEEE Cc1ncc(S(=O)(=O)N(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C)cc1C#N 2118169167 NLTXDVDRRUOUFW-UHFFFAOYSA-N 483.591 2.302 30 10 JEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](C)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 2222528711 FIVFJEIJZIWFTH-DGGJZMOXSA-N 453.580 2.417 30 10 JEEE CN[C@@H](C#Cc1ccccc1Br)[C@H](NC(=O)OC(C)(C)C)C1CS(=O)(=O)C1 2235727573 PRPLEQPDCXPVQH-DLBZAZTESA-N 457.390 2.327 30 10 JEEE CC1(C)OB(c2cncc(C(=O)NCC3CN(C(=O)OCc4ccccc4)C3)c2)OC1(C)C 2247927902 SALSLYFZCARBOC-UHFFFAOYSA-N 451.332 2.379 30 10 JEEE CC(C)(C)OC(=O)N1CCOCCN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2255748962 LOMBXNYRXHDPEI-UHFFFAOYSA-N 474.410 2.220 30 10 JEEE CC(C)(C)OC(=O)N[C@@]12C[C@H]1CN(S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)C2 2255795560 HOTJTOFWVSDAJJ-RNODOKPDSA-N 470.422 2.335 30 10 JEEE Cn1ncc(C(=O)N2CCC[C@@H](NC(=O)OCc3ccccc3)C2)c1B1OC(C)(C)C(C)(C)O1 2264011057 OPCSZKRVUZXPDF-GOSISDBHSA-N 468.363 2.250 30 10 JEEE Cc1nn(C)c(C(=O)N(C)CCCN(C)C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267147181 SIWAYCUUUSACNQ-UHFFFAOYSA-N 450.389 2.357 30 10 JEEE COCC[C@H](CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)NC(=O)OC(C)(C)C 2267373359 BWELGMKXSBODNQ-OAHLLOKOSA-N 490.453 2.255 30 10 JEEE CNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2267710562 XPXRGYGWRGUPLV-UHFFFAOYSA-N 462.352 2.062 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H](CC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)C(F)(F)F 2268633643 DFZNSQHDNXUMNX-SNVBAGLBSA-N 480.318 2.291 30 10 JEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)N(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)C1 2281976537 CSBZAGDILUVICB-JKSUJKDBSA-N 462.400 2.437 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(C)C[C@@H]1CCCN1C(=O)OC(C)(C)C 2282000176 LISHCXFNXSXGFS-INIZCTEOSA-N 462.400 2.499 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 2282036054 CZZRKCOIGQLIJX-HUUCEWRRSA-N 460.384 2.095 30 10 JEEE Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2O)cc1B1OC(C)(C)C(C)(C)O1 2282132754 TZTVOIPVAAOEGI-RTBURBONSA-N 460.380 2.394 30 10 JEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H](CCNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)O1 2282200058 JIFMIDPYTDXYEL-RDJZCZTQSA-N 463.384 2.458 30 10 JEEE CC(C)(C)OC(=O)N(CCO)[C@H]1CCCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2282204142 HLPMNVREMIGYAB-KRWDZBQOSA-N 463.384 2.148 30 10 JEEE C[C@@H]1CC[C@H](NC(=O)C(F)(F)F)CN1S(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2282339310 UDSLXKOTKPUQDW-KGLIPLIRSA-N 476.326 2.206 30 10 JEEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCC[C@@H](CNC(=O)C(F)(F)F)C3)cc2)OC1(C)C 2282339524 VKLKOGBIPPVFBR-AWEZNQCLSA-N 476.326 2.065 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@](O)(CNC(=O)c2cc(F)ccc2B2OC(C)(C)C(C)(C)O2)C1 2282406458 KPPNIFFTOBVZKZ-QHCPKHFHSA-N 464.343 2.227 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](O)CN1C(=O)c1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2282464463 AUIQENIQQSNZET-HOTGVXAUSA-N 464.343 2.225 30 10 JEEE Cn1cc(C(=O)N2CCCC3(CN(C(=O)OC(C)(C)C)C3)C2)nc1B1OC(C)(C)C(C)(C)O1 2282550721 CIXMXYHFKVFUGP-UHFFFAOYSA-N 460.384 2.192 30 10 JEEE Cc1c(C(=O)N2CCC[C@H]2CN(C)C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282593747 VEWKPKQKTPXGLJ-INIZCTEOSA-N 462.400 2.499 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C1 2283949021 UYJNAMFGDZZMAY-RTBURBONSA-N 458.364 2.198 30 10 JEEE CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1nscc1B1OC(C)(C)C(C)(C)O1 2283970082 SMYUCSAXADHSTH-SWLSCSKDSA-N 483.396 2.076 30 10 JEEE C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2c(cccc2B2OC(C)(C)C(C)(C)O2)C1 2283974323 UNUSOFHFIYAOPP-KXBFYZLASA-N 460.380 2.145 30 10 JEEE CC1(C)OB(c2cc(S(=O)(=O)N[C@H](COCc3ccccc3)C(=O)O)ccc2F)OC1(C)C 2284395184 IOZYUCHWMBNNOQ-LJQANCHMSA-N 479.335 2.073 30 10 JEEE C[C@H](C#CC(=O)N[C@@]1(C(=O)O)CC[C@@H](CNC(=O)OC(C)(C)C)C1)NC(=O)OC(C)(C)C 2318619192 IMTMWFVAIHJOTQ-HLFMIMNKSA-N 453.536 2.167 30 10 JEEE CC(C)(C)OC(=O)NCC1(NC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)CCOCC1 2337398470 QMYPTBCLLWTREF-UHFFFAOYSA-N 467.397 2.246 30 10 JEEE C[C@@H]1CCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)C[C@H]1CNC(=O)OC(C)(C)C 2362352866 HCTRKXIQZJCKSC-HZPDHXFCSA-N 462.400 2.342 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CC[C@H]2CC[C@H]1N2C(=O)OC(C)(C)C 2362456572 HNOCMOYLIADKDH-HRCADAONSA-N 460.384 2.380 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)n1C 2362490331 QXWNPAVQILNJJP-VQTJNVASSA-N 450.392 2.374 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CN(C(=O)c3cc(F)c(B4OC(C)(C)C(C)(C)O4)cc3O)C[C@@H]21 2364876235 HMYMSMPSFOQMLG-ZSBFGKGUSA-N 462.327 2.426 30 10 JEEE COc1cc(CNC(=O)CSc2nnc(N/N=C/c3ccc(C)cc3)n2N)cc(OC)c1 20917156 MDNPYRUMAAAAAU-WYMPLXKRSA-N 455.544 2.172 30 10 JEEE CCN(CC)S(=O)(=O)c1ccc(N(C)C)c(NC(=O)C(=O)NCc2ccc(C#N)cc2F)c1 609256830 JWTJTUYTBRGPSM-UHFFFAOYSA-N 475.546 2.049 30 10 JEEE C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)c2cc(C)n([C@H](C)c3ccccc3)c2C)C1=O 726042634 KPPDSCLHYYBWNG-MRXNPFEDSA-N 451.479 2.417 30 10 JEEE C[C@@H](C(=O)O)N1CCN(C(=O)C#CCNC(=O)OCC2c3ccccc3-c3ccccc32)CC1 757471706 UBTDFSKKVBBHAZ-SFHVURJKSA-N 461.518 2.146 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)[C@@H](C#N)C(=O)NCCc3ccc(OC)c(OC)c3)cc2C1=O 916922036 UJWDVMJXLHXBRZ-LJQANCHMSA-N 461.474 2.167 30 10 JEEE C=CCn1nc(C)c(C=NNc2nnc(SCC(=O)Nc3ccc(OC)cc3)n2N)c1C 1084135502 BRCXTXXCGBWKES-UHFFFAOYSA-N 455.548 2.177 30 10 JEEE CCN(CC)c1c(C=NNc2nc(SCC(=O)Nc3nc[nH]n3)n[nH]2)c(C)nn1-c1ccccc1 1084584645 IVGMXQMIUHURLB-UHFFFAOYSA-N 494.589 2.440 30 10 JEEE C=CCN(C(=O)c1cc2c(=O)n(C)c(=O)n(C)c2s1)[C@H](Cc1ccccc1)C(=O)OCC 1128003307 LDHNPKNIVLJPCP-QGZVFWFLSA-N 455.536 2.101 30 10 JEEE C#CCNS(=O)(=O)c1cccc(C(=O)N(C2CC2)[C@H](Cc2ccccc2)C(=O)OCC)c1 1144003573 KKYSHSJRXQNFIQ-JOCHJYFZSA-N 454.548 2.377 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCNC(=O)[C@@H](C)CCC 1286286574 ZMACKSQLAKMYSP-IRXDYDNUSA-N 459.620 2.249 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OCC)CCOC3)n2Cc2snnc2C)c1 1286308585 KNKAHFQWDJDJSB-HSZRJFAPSA-N 481.582 2.195 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)C)n2CCN2CCN(C)C(C)(C)C2)c1 1286310532 ZLYBDWAYVYYWKC-UHFFFAOYSA-N 451.619 2.484 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2CC2(O)CC(OCC)C2)c1 1286311710 PJCYECBLFODDKN-UHFFFAOYSA-N 474.565 2.250 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CCOc1ncccc1Cl)[C@@H]1CCS(=O)(=O)C1 1286393071 JKRDFYNUQFHWAR-GOSISDBHSA-N 486.985 2.018 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC[C@@H](C)N2CCCCC2)CC1 1286487210 SQIJOZLFRQCFKN-HXUWFJFHSA-N 492.628 2.156 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1286611854 PEAMIBKJKKAYPR-LJQANCHMSA-N 454.579 2.005 30 10 JEEE C=CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(C(=O)OCC)CC1 1286698353 VMSZDLCFVLNEAE-UHFFFAOYSA-N 451.531 2.437 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1CCS(=O)(=O)CC1 1286745046 AOIDLMHUFLPPFS-FQEVSTJZSA-N 478.640 2.198 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1286780502 WPDKMGSNYRUEJB-LBPRGKRZSA-N 490.328 2.411 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC(NC(=O)c2ccc(F)cc2)CC1 1286785368 KGVLFDMXHSTHEG-UHFFFAOYSA-N 465.533 2.124 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)C[C@@H]1c1cccc(OC)c1 1286786992 ABWIBDSLUWKVAI-ILZDJORESA-N 473.599 2.079 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN(CC)C(=O)OC(C)(C)C)C1 1286809748 KVTXXFRGBJWZDE-MSOLQXFVSA-N 483.635 2.219 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCCN(C(=O)C2CC2)CC1 1286822128 ZGMJNIKNDNPFHM-UHFFFAOYSA-N 471.627 2.227 30 10 JEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(C2CC2)nn1[C@H]1CCS(=O)(=O)C1 1293827329 WWRMEMDKHXOCAB-JKSUJKDBSA-N 450.561 2.365 30 10 JEEE CCC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1293833652 FPQJUBBCJWCSAG-GCJKJVERSA-N 461.588 2.293 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCC1CCN(CC)CC1)[C@H]1CCS(=O)(=O)C1 1300496914 WJEUBERQTXCGQB-SFTDATJTSA-N 463.648 2.268 30 10 JEEE C#CCN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC(C)(C)N1CCOCC1 1300597504 KKNYHHQVKPLZMD-UHFFFAOYSA-N 458.994 2.432 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H](CC)OC)CC1 1300719313 WCIPYRHWUPLKHT-SFHVURJKSA-N 455.559 2.353 30 10 JEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccn(Cc3ccccc3)n2)CC1 1301065235 CSCOEFSVKUXNOT-SFHVURJKSA-N 455.588 2.338 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N(C)C[C@@H]1CN(CC)c2ccccc2O1 1301506383 KFSZUPVNHFCLHW-HXUWFJFHSA-N 461.570 2.290 30 10 JEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](c2ccc(F)cc2F)C1 1301510345 UTJJPLHQBOXRQN-HXUWFJFHSA-N 471.512 2.298 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC(N(C)C(C)=O)CC2)cc1 1301527078 TYDHFEUGYJABJX-NRFANRHFSA-N 452.559 2.289 30 10 JEEE C#CCCCn1c(CCCc2ccccc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1358933229 MMDVZKUGCGRUAQ-UHFFFAOYSA-N 450.587 2.040 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCC=CO1)[C@@H]1CCS(=O)(=O)C1 1358956174 BJJLXUXFQFFDNZ-CVEARBPZSA-N 480.388 2.355 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1CC(F)(F)C1(OC)CCOCC1 1358986385 VPWXQYIAHFRTHM-OAQYLSRUSA-N 466.529 2.224 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(=O)NC(C)C 1359024774 VKHPXZCVCFNXQP-GOSISDBHSA-N 462.595 2.003 30 10 JEEE C#CCSCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](C(N)=O)C1 1359056302 CIWHEABXCHJZDJ-DLBZAZTESA-N 462.620 2.071 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1359097150 LKQIIQJFWSXBLO-UGKGYDQZSA-N 455.607 2.245 30 10 JEEE C=CCN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1359230031 CMPIOMFZIPZPMC-UHFFFAOYSA-N 461.574 2.133 30 10 JEEE C#CCN(C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 1455813200 OWXHXSVNDRRPAJ-UHFFFAOYSA-N 459.568 2.334 30 10 JEEE COc1cccc(C(=O)N2CCN(S(=O)(=O)c3c(F)cc(C#N)cc3F)CC2)c1OC 1474789245 FUAMEOZDZOIZLL-UHFFFAOYSA-N 451.451 2.000 30 10 JEEE CCCNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C(=O)OC)CC1 1501175709 GOOVIAAKMXVYAD-UHFFFAOYSA-N 454.531 2.034 30 10 JEEE CCN1CCN([C@H](C)Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2CC[C@](F)(C#N)C2)CC1 1502310478 AETVYLVWAKSDJS-KOSHJBKYSA-N 471.581 2.430 30 10 JEEE CN(C)CCOc1ccc(CCn2c(CN3CCCC3=O)nnc2N2CC[C@](F)(C#N)C2)cc1 1503400913 DXRCLGHGKXPXNR-DEOSSOPVSA-N 469.565 2.026 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCNC(=O)c1cccs1 1507530556 ZIOWLLQPCRQUGM-HNNXBMFYSA-N 471.612 2.188 30 10 JEEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1507578839 CMKUIDIYFMXHSH-INIZCTEOSA-N 488.434 2.249 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCc1csc(C)n1)[C@@H]1CCS(=O)(=O)C1 1507632290 YLZIFTWJLFXNCY-GOSISDBHSA-N 456.597 2.283 30 10 JEEE C#CCN(CC#CC)c1nnc(Cc2ccccn2)n1CCNS(=O)(=O)c1ccc(C)s1 1507670491 NOBVUPHULCBTAW-UHFFFAOYSA-N 468.608 2.075 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1C[C@@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C 1507710144 KESMVXFGCUQAEF-PKOBYXMFSA-N 455.563 2.467 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccnc3)n2CCCn2cc(Br)cn2)CC1 1507725099 OVURUABGWRNVHA-UHFFFAOYSA-N 455.364 2.145 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2Cc2cc(F)cc(OC)c2)CC1 1507736372 JRWDYMVBMNUIQV-UHFFFAOYSA-N 450.518 2.445 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2CCCCC(F)(F)C2)CC1 1507738307 MNCCFCLDQNSPFJ-SJLPKXTDSA-N 462.545 2.411 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccsc1)N(C)C 1507763343 APUVLNBWEWTYDS-OXFYSEKESA-N 450.634 2.245 30 10 JEEE C=CCCOCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](C)[C@@H](O)C1 1507964869 MTRXEHPVVAVZKO-QRVBRYPASA-N 465.595 2.386 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN(Cc2cnc(C)s2)CC1 1508137204 KOTPYJOZAAKHOZ-UHFFFAOYSA-N 473.628 2.028 30 10 JEEE CC(=O)N1CCC(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)C[C@@H]2CCN(C(C)=O)C2)CC1 1508195118 HEOSFGRPBYIJQE-QFIPXVFZSA-N 463.586 2.380 30 10 JEEE CNS(=O)(=O)CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@](F)(C#N)C1 1517624714 CCRNQTLHZSYKOJ-KRWDZBQOSA-N 477.349 2.155 30 10 JEEE C=C[C@H](C)NC(=O)CCCC(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2OC)CC1 1533711827 KOSZBDGNQKDBQF-HNNXBMFYSA-N 457.980 2.043 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@]2(O)CCCC2(C)C)c1 1539042814 JIVIGFIBNHPKSN-KBMIEXCESA-N 464.570 2.227 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCSC1)[C@@H]1CCS(=O)(=O)C1 1539206908 WTTVGPIBKYKVGK-MAUKXSAKSA-N 461.569 2.233 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1ccc(OCCC)nc1)[C@H]1CCS(=O)(=O)C1 1539215450 CHEWHMVXNASCFH-FQEVSTJZSA-N 466.567 2.199 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1cccc(C(OC)OC)c1)[C@@H]1CCS(=O)(=O)C1 1539216161 OGYFKCXHTHXBMJ-OAQYLSRUSA-N 481.578 2.307 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@H](c1cccc(F)c1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1539226507 ZLYQBHSXXSRJCE-DHIUTWEWSA-N 496.612 2.333 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2C[C@](C)(O)CCOC)CC1 1539436383 QJMIIHRPYUXVMH-JOCHJYFZSA-N 492.418 2.259 30 10 JEEE C=C(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1539704655 GIBZAVKORUCYCC-PZJWPPBQSA-N 482.633 2.396 30 10 JEEE C=CC[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(N)=O)CC1)c1ccccc1 1539948165 OOAMPAPVHQAFDW-UXHICEINSA-N 457.600 2.242 30 10 JEEE C=CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCCS(C)(=O)=O 1540006140 QULDUCFAGSSGTI-KRWDZBQOSA-N 471.624 2.424 30 10 JEEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@]1(O)CCN(C)C1 1540182071 IBEFGXWPWMSUGT-XMMPIXPASA-N 485.610 2.243 30 10 JEEE C=CCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1540856211 ACKQWAQYJJLGGI-LJQANCHMSA-N 454.575 2.281 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H]3CCCOC3)nnc2N2CCN(C(=O)COC)CC2)cc1 1540877609 AEPWABAHKXOKTI-HXUWFJFHSA-N 455.559 2.080 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2CC)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1540908822 OOEUGYKBGOISNO-YADARESESA-N 490.626 2.405 30 10 JEEE C=CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCO[C@H](CNC(C)=O)C1 1540916350 AHUGWKGVNDYLFF-XLIONFOSSA-N 459.572 2.051 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCC1CC(OC(C)(C)C)C1 1541927256 HCNJPQBAXVMTSY-ZYJFZYNKSA-N 456.588 2.314 30 10 JEEE C#CCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1587719186 VFGSZSQDGQMQDA-QFIPXVFZSA-N 482.610 2.251 30 10 JEEE C#CCCCn1c(Cc2cccnc2)nnc1N1CCCN(Cc2nc([C@@H](C)OC)no2)CC1 1587869913 SXXHFMAGTXMFMZ-LJQANCHMSA-N 464.574 2.480 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@@](C)(OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1588064455 IKBXWNQQOFKCLO-GHTZIAJQSA-N 463.629 2.076 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1589559460 RSOXLQYZGQWIHI-SIKLNZKXSA-N 474.631 2.153 30 10 JEEE C=C(Cl)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1593886015 PVDAIHPHCNAWNH-IXDOHACOSA-N 480.997 2.301 30 10 JEEE C=C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1594070802 NBFWTNPSUPCONS-KRWDZBQOSA-N 461.588 2.400 30 10 JEEE C=CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@H](N1CCOCC1)C(F)(F)F)C1CC1 1595027043 WRRDNSUCRURUIN-PXNSSMCTSA-N 459.513 2.348 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2OCC[C@H]2COC)n1CC(=O)N1CCOCC1 1595141968 NVGXSLFTIJJQHJ-UGKGYDQZSA-N 473.549 2.193 30 10 JEEE C=CCn1c(N2CCN(CC(=O)N[C@@H](C)CC)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1595453017 ITSZXSNXJLEZQT-GBESFXJTSA-N 475.638 2.272 30 10 JEEE C=CCNC(=O)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCN(C)C(=O)[C@H]1C 1595489464 GWUNSAVAJXNGSQ-MRXNPFEDSA-N 465.583 2.346 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](c2cccs2)N(C)C)C1 1595722459 KHJNDDMIFTYHDC-RCCFBDPRSA-N 465.645 2.326 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1595728744 DJEONOKZUPPWPC-WOJBJXKFSA-N 463.579 2.213 30 10 JEEE CC(C)NC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1610077957 HTAUERHIKWCCEH-FQEVSTJZSA-N 455.538 2.382 30 10 JEEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2COCCO2)C[C@@H](C(F)(F)F)O1 1612977697 GVJZWLXWUCMOSS-JLSDUUJJSA-N 467.448 2.300 30 10 JEEE C[C@@H]1COCCN1CCn1c(CNC(=O)c2cccs2)nnc1N(C)Cc1cccc(C#N)c1 1613012238 DPLPMJMIGJYGIP-GOSISDBHSA-N 479.610 2.498 30 10 JEEE CCC(CC)NC(=O)c1nnc(N(C)C[C@H](C)C#N)n1C[C@@H](N1CCOCC1)C(F)(F)F 1613527950 DTIQZRQOUQEAKE-GDBMZVCRSA-N 459.517 2.055 30 10 JEEE COc1ccc(Br)cc1CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 1622398096 CASJPBKSJYRJAA-LBPRGKRZSA-N 452.330 2.313 30 10 JEEE COc1ccc(-c2nc(CCNC(=O)[C@H](C)NS(=O)(=O)c3ccc(C#N)cc3)co2)cc1 1626349966 BMKCHDFIGLMGRN-HNNXBMFYSA-N 454.508 2.248 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc(O[C@H](C)C(=O)OC)c(F)c2)s1 1629557304 MKZCMCUTZGPWMS-GFCCVEGCSA-N 456.517 2.473 30 10 JEEE C=CCn1c(S)nc2cc(C(=O)N3CCN(c4snc(C)c4C#N)CC3)ccc2c1=O 1638772313 NCTSFUPUIADHAB-UHFFFAOYSA-N 452.565 2.470 30 10 JEEE N#Cc1ccc(S(=O)(=O)N(CCN2CCOCC2)Cc2ccco2)cc1Br 1664441330 ACPSODFKWFOFMB-UHFFFAOYSA-N 454.346 2.437 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@H](C)CN1CCN(CC)CC1)[C@H]1CCS(=O)(=O)C1 1689986457 QLDZKKBPXDABSB-GGAORHGYSA-N 498.697 2.154 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCC(C)CC2)nc1 1690033419 XAHBFLLLCBCXSU-HXUWFJFHSA-N 483.642 2.031 30 10 JEEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccnc(OC2CCOCC2)c1 1690035003 YTCRAOVLIWPQNS-SANMLTNESA-N 479.581 2.394 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCSCc2ccc(C)cc2)CC1 1690144400 XXPLFCLOPOPUFL-OAQYLSRUSA-N 480.638 2.437 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1OC(F)F 1690206257 KYVQGDWQRHBQLC-PGRDOPGGSA-N 495.552 2.253 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1690251747 YRTDIVQAWOGWII-RXVVDRJESA-N 474.606 2.439 30 10 JEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](CN2CCOCC2)C1 1690644632 YFEIUSYHBQFGTF-UXHICEINSA-N 476.622 2.321 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1690667344 ZUPCLYWQWGWRML-MRXNPFEDSA-N 488.346 2.279 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1690676225 UBNZJODVNAPCEI-NTKDMRAZSA-N 455.559 2.160 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC(C(=O)c3ccc(O)cc3)CC2)nnc1[C@@]1(OCC)CCOC1 1690677129 ODXWDGOFALADGI-RUZDIDTESA-N 483.569 2.037 30 10 JEEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCc3c(ccnc3O)C2)cc1 1690678900 DTWQHQPTDSFMFB-INIZCTEOSA-N 484.582 2.165 30 10 JEEE C=CCSCCn1c(-c2cccn2C)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1690739952 DTAWHZLDPIWZQT-UHFFFAOYSA-N 457.648 2.337 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCNC(=O)c1ccco1 1705478962 HJTDTCYXQRVWAN-HNNXBMFYSA-N 469.571 2.028 30 10 JEEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1ccccc1CN1CCOCC1)[C@H]1CCS(=O)(=O)C1 1705560945 OMZOWPMSJOOJGU-REWPJTCUSA-N 485.654 2.299 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1CC1(COC)CCOCC1)[C@H]1CCS(=O)(=O)C1 1705563669 CDSJAAVSOQXYKJ-IBGZPJMESA-N 488.610 2.024 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1CCc1cccnc1)[C@@H]1CCS(=O)(=O)C1 1705564358 NEBPFYUNNLGXEB-LJQANCHMSA-N 451.552 2.218 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1CCc1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 1705565572 HPCHRXZWYDKLPB-QGZVFWFLSA-N 456.959 2.258 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@]1(C)CCCO1)[C@H]1CCS(=O)(=O)C1 1705567996 FFJWVLPQAZLSNH-JTSKRJEESA-N 462.547 2.192 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCN(CC)CCC 1705582769 JFGLJGYHOFQTQS-FQEVSTJZSA-N 458.607 2.391 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2CC(C)(C)N2CCOCC2)CC1 1705650342 PGFKALDYJVSDDX-UHFFFAOYSA-N 478.641 2.140 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCNS(C)(=O)=O 1705678035 LVALSZDADRAZGL-HTAPYJJXSA-N 480.635 2.282 30 10 JEEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1705733583 RCXCKEXTFXOZKK-UHFFFAOYSA-N 474.009 2.331 30 10 JEEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(C)(C)C(=O)NCC 1705843814 OLFZKIUNTSTMCP-INIZCTEOSA-N 450.584 2.371 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](c2cccc(F)c2)C1 1705927966 JQQSPJFOSINGLH-SFHVURJKSA-N 461.563 2.248 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)c1ccccc1F 1705936802 YPQSJWVBHARFCY-JKSUJKDBSA-N 470.592 2.118 30 10 JEEE Cc1cccc(O[C@H](C)c2nnc(N3CCO[C@@H](C#N)C3)n2CCN2CCOC[C@@H]2C)c1C 1706980098 ANGNVCOQIICTRA-TYPHKJRUSA-N 454.575 2.484 30 10 JEEE C[C@H]1CN(C(C)(C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCS(=O)CC2)C[C@@H](C)O1 1708146509 FDJJRQMMZJQWIV-KDURUIRLSA-N 486.642 2.185 30 10 JEEE CN(CCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](C#N)C1)c1ccccc1 1711213952 GJHQLHYIVHVJEF-GOSISDBHSA-N 451.556 2.135 30 10 JEEE COCCN(CCC#N)c1nnc(-c2ccc(F)cc2Br)n1CCS(C)(=O)=O 1712453179 DVNXHFHPRBISIH-UHFFFAOYSA-N 474.356 2.258 30 10 JEEE C#CCN(c1nnc([C@@H](CC)c2ccccc2)n1Cc1ccn(C)n1)[C@H]1CCS(=O)(=O)C1 1722363837 HEOBONHGKDWLQU-SFTDATJTSA-N 452.584 2.229 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CC(C)(C)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 1722364390 GJMJFHFOOQRLLF-NRFANRHFSA-N 470.643 2.155 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1Cc1cccc(O)c1)[C@@H]1CCS(=O)(=O)C1 1722365957 QDYKRVCIAIRRDC-MRXNPFEDSA-N 490.383 2.416 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1ccc(F)cc1F)[C@H]1CCS(=O)(=O)C1 1722367702 XGLDLMDNUIOZBB-IBGZPJMESA-N 457.506 2.217 30 10 JEEE C#CCN(c1nnc(COCC)n1Cc1coc(-c2ccccc2)n1)[C@@H]1CCS(=O)(=O)C1 1722369531 AOFWKPZWIBJAFA-LJQANCHMSA-N 455.540 2.145 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CCc1ccncc1)[C@@H]1CCS(=O)(=O)C1 1722371362 VNCXXLQRUGCZIT-HXUWFJFHSA-N 469.542 2.261 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@H]1CCCS(=O)(=O)C1 1722388945 BXFKGSJGDVPAFZ-SFHVURJKSA-N 486.594 2.259 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCC[C@H]2C)CC1 1722449052 FJXZWZSAHPMRSG-NIYFSFCBSA-N 476.581 2.246 30 10 JEEE C=C(Br)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@@H](COCCOC)C1 1722481051 VXJUDNBRDFIUOO-MRXNPFEDSA-N 489.378 2.319 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 1722494946 TYDCNDFTIGJPIL-AZUAARDMSA-N 475.615 2.437 30 10 JEEE C=CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(S(C)(=O)=O)CC1 1722599921 JNKRRPZVBBTOKJ-UHFFFAOYSA-N 485.614 2.113 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(C(=O)c2cccc(Cl)c2)CC1 1722726830 IQUIJWBHPDLKRK-UHFFFAOYSA-N 463.991 2.372 30 10 JEEE CC(C)CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1)C1CC1 1723386672 DGUQYTHEWZFUAM-QHCPKHFHSA-N 473.599 2.293 30 10 JEEE CN(C)C1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H](CNS(C)(=O)=O)C2)CCC1 1729326187 GZQFQIQWUPRBBO-IBGZPJMESA-N 471.631 2.067 30 10 JEEE CSC1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@H](S(C)(=O)=O)C2)CCOCC1 1731060250 FHTDRLWLYYCNBX-SFHVURJKSA-N 461.613 2.352 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC2CCCC2)cc1 1740553426 RZLVCLODLYPTCE-GCJKJVERSA-N 487.626 2.439 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2NC(=O)CC2(C)C)c1 1740564885 AVCINLOXYXDCKF-NRFANRHFSA-N 488.596 2.111 30 10 JEEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1cccc(NC(=O)[C@H]2CCCO2)c1 1740600960 VBQQUPWXCWNJLO-YKSBVNFPSA-N 453.543 2.165 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@H]1CCN(CCC)C1)[C@H]1CCS(=O)(=O)C1 1740620686 HCUGVEHINNVULQ-PMACEKPBSA-N 471.627 2.312 30 10 JEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(=O)Nc1ccc(F)cc1 1740637347 ZEERKYSXGZGGOW-UHFFFAOYSA-N 479.541 2.089 30 10 JEEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1740714934 ALHIYCXTFIBRQE-CVDCTZTESA-N 481.670 2.394 30 10 JEEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1740714939 ALHIYCXTFIBRQE-WMZHIEFXSA-N 481.670 2.394 30 10 JEEE C=C(Cl)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1740804855 GOBRXGBGDSADGH-MGPUTAFESA-N 452.964 2.485 30 10 JEEE C=CCCCn1c(N2CCN(c3ncccc3C(N)=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1740881693 OLUBATSQNZTNNB-XMMPIXPASA-N 469.590 2.105 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc3ccccc3o2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1740954110 BZEUXRQKMWMYKE-UHFFFAOYSA-N 486.598 2.292 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1740980809 KBJSYVFAOBRQBP-DLBZAZTESA-N 481.569 2.210 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1740988089 SMFMBQAXOPLCRB-HZPDHXFCSA-N 484.481 2.261 30 10 JEEE Cc1cnn([C@@H]2CCCN(c3nnc(COc4ccc(C#N)cc4)n3CC(=O)NCC(F)F)C2)c1 1742491841 CVCTZUJGAXYVJB-GOSISDBHSA-N 484.511 2.457 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H](C1CCCCC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1748824077 IICVINSSHBYMJH-PWRODBHTSA-N 463.648 2.267 30 10 JEEE C#CCN(c1nnc(COc2ccccc2CC)n1Cc1cnn(C)c1C)[C@H]1CCS(=O)(=O)C1 1748824153 JZLUPHBUKODSDH-NRFANRHFSA-N 482.610 2.136 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2ccc(SC)cc2)CC1 1749009347 IJNIRRRYNLGJDK-HXUWFJFHSA-N 466.611 2.160 30 10 JEEE C=C(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1749169129 PMVSBNVJSLPVBU-BGYRXZFFSA-N 473.666 2.399 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccc1N1CCCC1 1749193277 DULPEYHMNIYIBI-OAQYLSRUSA-N 474.631 2.424 30 10 JEEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)c2ccccn2)CC1 1749234775 JIZJMELMSCRVLH-UHFFFAOYSA-N 464.574 2.090 30 10 JEEE C=CCCCn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1749420212 AGDPNMBLGDILAU-FQEVSTJZSA-N 466.586 2.483 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 1749660406 OPPODTOGBDUKCM-INIZCTEOSA-N 456.572 2.055 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(Br)cc2)nnc1N1CCC(CO)CC1 1749740671 XPYBXYIAJPRPAC-UHFFFAOYSA-N 499.431 2.429 30 10 JEEE CC(C)NC(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(CCC#N)CC1CC1 1750980662 FGQYXJRGDIVAAQ-UHFFFAOYSA-N 462.558 2.237 30 10 JEEE CC(C)NC(=O)Cn1c(-c2ccccn2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1750992063 HORFXWIJBGOPNY-UHFFFAOYSA-N 458.570 2.449 30 10 JEEE C#CCCCn1c(-c2ccc(OC)cc2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1760148778 MAFZNGWUWWGQFE-HXUWFJFHSA-N 450.587 2.500 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2ccc(Cl)cc2)C1 1760155140 REVVBPINDRBINB-PMACEKPBSA-N 494.017 2.256 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@H]2CCC[C@@H]2OC)CC1 1760261481 MMYYTMNSOPNHAX-ACRUOGEOSA-N 488.633 2.157 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)NCCC)CC1 1760323807 GPZIBQGQMIVRQI-SIKLNZKXSA-N 458.607 2.124 30 10 JEEE C=CCN(c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ccc(C)n(C)c1=O)C1CC1 1760469274 BNMGWMOOTDSICC-UHFFFAOYSA-N 482.610 2.406 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(CC(F)F)CC1 1760516512 PGZUBNZOPZKWFW-OAHLLOKOSA-N 452.481 2.247 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@H](CNC(C)=O)C1 1760517574 QQMBRKAFUMIDPW-MRXNPFEDSA-N 462.501 2.201 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H](C)N(Cc2ccccc2)CC1 1760529636 DRRKFXJNFKXMKW-SFLYRZDNSA-N 482.629 2.405 30 10 JEEE CCC(O)(CC)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(c2ccccc2C#N)CC1 1764300283 DVPREBNVVQLANC-LJQANCHMSA-N 451.575 2.369 30 10 JEEE CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCOC[C@H]2OC)CCN1CCOC 1765246214 DVKJACYBSZMPHA-YTFSRNRJSA-N 468.602 2.415 30 10 JEEE CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 1769325124 GYXJJTSHTCLVJO-SFHVURJKSA-N 453.547 2.398 30 10 JEEE COc1ccccc1OCc1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@H]1CCCN1S(C)(=O)=O 1770511540 FVFUPODIQFLTJK-WZONZLPQSA-N 488.614 2.420 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 1772566420 BMUDIHPUCOHYRI-IAGOWNOFSA-N 478.475 2.128 30 10 JEEE C[C@H](C(=O)O)N(CCC#N)C(=O)c1c[nH]c2c(F)cc(I)cc2c1=O 1866446897 RHQNRKQRLFSQHF-MRVPVSSYSA-N 457.199 2.101 30 10 JEEE COCCc1nc(Nc2ccccc2C#N)cc(N2CCc3ccc(S(N)(=O)=O)cc3C2)n1 1868262237 OOBHOBAROGIFDQ-UHFFFAOYSA-N 464.551 2.491 30 10 JEEE C=CCN(CC=C)c1nc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)n([C@@H]2CCS(=O)(=O)C2)n1 1870004476 BEBVWFGNKAIRAU-MRXNPFEDSA-N 460.516 2.285 30 10 JEEE C=CCn1c(C(=O)NCCc2nc(-c3ccc(OC)cc3)cs2)cc2c(=O)n(C)c(=O)n(C)c21 1873598961 AAIHOSSKTFNOEM-UHFFFAOYSA-N 479.562 2.329 30 10 JEEE COC(=O)CSc1nnc([C@H]2CC(=O)N(c3ccc(OC)cc3)C2)n1/N=C/c1ccncc1 1874200757 JMSVSUSNORTVEU-SOAGAIGUSA-N 466.523 2.350 30 10 JEEE CCCSc1nnc(CNC(C)=O)n1/N=C/c1ccc(OCCN2CCOCC2)c(OC)c1 1874434340 AEIGXLBRSLZXDK-BUVRLJJBSA-N 476.603 2.018 30 10 JEEE C=CCn1c(C(=O)N(CC)CCO)cc2c(NC[C@H](c3ccc(O)cc3)N(C)C)ncnc21 1875231578 UAEXSXOXGHOFMY-OAQYLSRUSA-N 452.559 2.492 30 10 JEEE CC(=O)N1CCc2cc(S(=O)(=O)N3CCC(CN(C)c4ncccc4C#N)CC3)ccc21 1891257085 SGQXTKHQQDKOFT-UHFFFAOYSA-N 453.568 2.399 30 10 JEEE Cc1cc(C#N)nc(-n2c(C)nc(I)c2I)n1 1941554575 WGRMGLRNVCOBEA-UHFFFAOYSA-N 451.009 2.360 30 10 JEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC1(CO)CCN(C(=O)OC(C)(C)C)CC1 2067993997 CXGLTROHRWZTAM-QGZVFWFLSA-N 453.580 2.419 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)NCCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2180971466 AHAWJBPEOAMTEM-IBGZPJMESA-N 460.380 2.280 30 10 JEEE CC(C)(C)OC(=O)N1CC2(CC[C@@H](C(=O)Nc3cc(B4OC(C)(C)C(C)(C)O4)ccn3)O2)C1 2206616093 FOQHGQAZABZHLO-INIZCTEOSA-N 459.352 2.488 30 10 JEEE CC(C)(C)OC(=O)N1CCC(N(CC(N)=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)CC1 2241122671 WGUSCYXVDHJLMW-UHFFFAOYSA-N 460.384 2.072 30 10 JEEE CC(C)(C)OC(=O)NCC1CN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2247902848 CGQCVWICOAMNQD-UHFFFAOYSA-N 458.411 2.193 30 10 JEEE CC1(C)OB(c2n[nH]cc2C(=O)N[C@@H](CNC(=O)OCc2ccccc2)C(F)(F)F)OC1(C)C 2255617403 CBKZVITWLOIZQK-HNNXBMFYSA-N 482.268 2.296 30 10 JEEE CC(C)(C)OC(=O)NCCCONS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2255752203 GUDKXPHODKEJIZ-UHFFFAOYSA-N 456.370 2.111 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCN(C(=O)OCc2ccccc2)C1 2255830271 CQOIUOIZWAFGCA-GOSISDBHSA-N 468.363 2.169 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2O)s1 2267094589 IEJYEBNBJFNVAA-HOTGVXAUSA-N 466.409 2.456 30 10 JEEE CCN(C[C@@H](C)NC(=O)OC(C)(C)C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)c(C)nn1C 2267145632 HQDKPMQJFMFESK-CQSZACIVSA-N 450.389 2.403 30 10 JEEE CS[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn1C 2267266710 FHCWYDGTLJORSN-WBVHZDCISA-N 465.425 2.405 30 10 JEEE CC(C)(C)OC(=O)NCCC1CN(S(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2267469153 QYYQEIACQQULBM-UHFFFAOYSA-N 487.453 2.119 30 10 JEEE CO[C@@H]1C[C@@H](CNC(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)N(C(=O)OC(C)(C)C)C1 2267477375 KUFWNVIBMJFJIT-UONOGXRCSA-N 467.397 2.197 30 10 JEEE CC1(C)OB(c2cnsc2C(=O)NCC2(O)CCN(Cc3ccccc3)CC2)OC1(C)C 2267542128 NHSYMIQZDBEEDS-UHFFFAOYSA-N 457.405 2.199 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@]1(F)C[C@H](NC(=O)OC(C)(C)C)C1 2267595095 CFIBPFVIXUXHHU-VVONHTQRSA-N 451.348 2.450 30 10 JEEE N#Cc1ccc(Br)cc1NS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 2270499350 JCODGNHHEJXFQK-INIZCTEOSA-N 482.312 2.442 30 10 JEEE CN(Cc1csc(NC(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)n1)C(=O)OC(C)(C)C 2281943279 NAHREFJKPFNPOX-UHFFFAOYSA-N 478.384 2.190 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@]2(CCN(C(=O)c3csnc3B3OC(C)(C)C(C)(C)O3)C2)C1 2282062670 BOKQBORPKQKJOP-QFIPXVFZSA-N 479.408 2.294 30 10 JEEE Cc1ccc(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 2282127833 CNMIYIQSLHKNNM-DLBZAZTESA-N 460.380 2.394 30 10 JEEE CC[C@H]1CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)nn2C)CCN1Cc1ccccc1 2282345217 YUULWDGDGRWGIW-IBGZPJMESA-N 474.436 2.004 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](CNC(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2F)[C@@H](O)C1 2282398093 WGQXUVRLUGXSPA-YOEHRIQHSA-N 464.343 2.083 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H]1C[C@H]1CNC(=O)OC(C)(C)C 2282495550 NUYYOSBPPDCREW-GOEBONIOSA-N 482.408 2.186 30 10 JEEE CC(C)(C)OC(=O)N(CCO)[C@H]1CCCN(C(=O)c2occc2B2OC(C)(C)C(C)(C)O2)C1 2282525257 PBUOQXBZGBLESV-INIZCTEOSA-N 464.368 2.413 30 10 JEEE C[C@H]1CCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)C[C@H]1CNC(=O)OC(C)(C)C 2282534204 ROOLOMZZHHJDKR-JKSUJKDBSA-N 462.400 2.342 30 10 JEEE CCc1nn(C)c(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2282559615 QGPZHZPKCFRQEY-GJZGRUSLSA-N 460.384 2.116 30 10 JEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2CCCCN(Cc3ccccc3)C2)n1 2282627886 KLBXVZPVMLNOLT-LJQANCHMSA-N 453.396 2.146 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1C[C@H]2NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282832572 AXMVOABSZQKGDG-QLFBSQMISA-N 499.464 2.260 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@]2(CCN(C(=O)c3nccnc3B3OC(C)(C)C(C)(C)O3)C2)C1 2283060708 NPERRIXYCAWPMX-HSZRJFAPSA-N 458.368 2.249 30 10 JEEE CC(C)(C)OC(=O)NCc1ccc(CC(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)cc1 2283932033 GJGDIFSYKXYDCF-UHFFFAOYSA-N 474.392 2.465 30 10 JEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)N[C@H]1CCC=C1B1OC(C)(C)C(C)(C)O1 2283964046 NNNDMACOAMLUHS-RDJZCZTQSA-N 484.424 2.247 30 10 JEEE COc1ccc(OC)c(C=CC(=O)Nc2c(C#N)nnn2-c2ccc3c(c2)C(=O)N(C)C3=O)c1 2332197313 RGQLTCCWUNVQLX-UHFFFAOYSA-N 458.434 2.034 30 10 JEEE CC#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 2333916591 NQXVITVVZHDSGI-ZWJWXYIHSA-N 465.591 2.273 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@](Oc2ncc(Cl)cc2B2OC(C)(C)C(C)(C)O2)(C(N)=O)C1 2339444828 WCIKTJJNFXLZAF-OAQYLSRUSA-N 467.759 2.278 30 10 JEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)N1CC[C@H](B2OC(C)(C)C(C)(C)O2)C1 2342471579 ODQLXCDELBTVHT-JKSUJKDBSA-N 472.413 2.105 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 2362354030 ONKHIRNRHVKZTG-CVEARBPZSA-N 460.384 2.048 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC2(C)C)n1C 2362494308 OKCZJIDNRAAHPD-HNNXBMFYSA-N 462.400 2.403 30 10 JEEE CCOc1ccc(/C=N/Nc2nc(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)n[nH]2)cc1 20833155 FXJMBDOUJIZORG-SRZZPIQSSA-N 475.556 2.028 30 10 JEEE COc1ccc(C(=O)/N=C2\S[C@@H]3CS(=O)(=O)C[C@@H]3N2Cc2ccc3c(c2)OCO3)cc1 136450046 DCZYNIODNOFXNH-PWQQTYEBSA-N 460.533 2.335 30 10 JEEE Cc1ccc(N2C(=O)C(Sc3nc(C)cc(C)c3C#N)=C(N3CCN(CCO)CC3)C2=O)cc1 526695532 RBIKKFGWEBMHBB-UHFFFAOYSA-N 477.590 2.366 30 10 JEEE COCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1-c1ccc(Cl)cc1 603789752 BHKRAKZHQRXJSN-UHFFFAOYSA-N 453.951 2.208 30 10 JEEE C=CCn1c(S)nc2cc(C(=O)N3CCN([C@H](C)C(=O)NC4CCCC4)CC3)ccc2c1=O 728978554 IFWAROGRQAOMJJ-MRXNPFEDSA-N 469.611 2.076 30 10 JEEE C=CCN(CC(=O)NN1C(=O)N[C@](C)(c2ccc(OC)cc2)C1=O)Cc1cccc([N+](=O)[O-])c1 745168904 BEBIXKFFMCPXFN-HSZRJFAPSA-N 467.482 2.090 30 10 JEEE CC#CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@@H](O)CC(=O)O 757203418 YETVNDVPHTUGTR-KSFYIVLOSA-N 450.491 2.259 30 10 JEEE C=CCOc1ccc(CNC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)cc1 1221820850 ALOIHSQHSXSYIP-HXUWFJFHSA-N 452.559 2.346 30 10 JEEE CCOC(=O)c1c(NC(=O)COc2ccc(N3CCCC3=O)cc2)c(C#N)cn1CCOC 1264542692 CGWOZCBJOOGYPD-UHFFFAOYSA-N 454.483 2.327 30 10 JEEE C#CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1286345742 QKWRYPIBHVRPJZ-QGZVFWFLSA-N 461.588 2.141 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(C)c(Br)c2)n1CCC[C@@H]1NC(=O)NC1=O 1286405263 BHVQQNZDXQVKMF-KRWDZBQOSA-N 469.343 2.077 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 1286414941 GDUQPYOHOPRUOG-PMVMPFDFSA-N 477.565 2.241 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(Br)c[nH]2)n1Cc1cccc(OCC(N)=O)c1 1286418170 BAHYAXLCWGNLPO-UHFFFAOYSA-N 481.354 2.411 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2CC2([S@](C)=O)CC2)CC1 1286474125 BEAUCQLURXHJRJ-PMERELPUSA-N 492.443 2.383 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2CCSCC#C)CC1 1286492968 RUAWAXBZKUXPRA-UHFFFAOYSA-N 455.559 2.328 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(=O)NCC(F)F 1286573174 IGMAWBFBBJETRF-UHFFFAOYSA-N 455.535 2.022 30 10 JEEE CC(=O)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCOC[C@H]2CCOC2)CC1 1286864842 XGSZSRQBLWJJSB-OAQYLSRUSA-N 452.559 2.319 30 10 JEEE C[C@H](C#N)CN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCN1CCCC1 1286968812 CLKWUOVKGSQDRX-JOCHJYFZSA-N 450.635 2.334 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(Cl)cc1 1288524797 HNQLGHBSCGPCKI-WMLDXEAASA-N 452.968 2.051 30 10 JEEE C[C@H](CC(N)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCn1cc(Br)cn1 1288537428 DDPFBDZZWYJCPO-CYBMUJFWSA-N 457.336 2.176 30 10 JEEE C[C@H]1SCCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCS(=O)(=O)CC2)[C@@H]1C 1291326959 CPQVHPOHEWNTGW-HZPDHXFCSA-N 461.613 2.087 30 10 JEEE CCN(C[C@H]1CCCO1)c1nnc(-c2cccc(C#N)c2)n1CCS(=O)(=O)N1CCSCC1 1295742932 ADLFAAFSXDPLFB-HXUWFJFHSA-N 490.655 2.201 30 10 JEEE CCOC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCN(C)CCOC)C1 1296405458 COWQZVBSQYJDPX-HXUWFJFHSA-N 455.563 2.110 30 10 JEEE CN(C)C(=O)[C@H]1CCCN1CCCn1c(N2CCN(c3ccc(C#N)cn3)CC2)nnc1C(C)(C)C 1297957545 IEIYEMUEUCJVFI-OAQYLSRUSA-N 493.660 2.112 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@H](C)N1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1300499073 PDMYZMOVHGEURY-RBBKRZOGSA-N 470.643 2.011 30 10 JEEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1CC1(SC)CC1)[C@@H]1CCS(=O)(=O)C1 1300503873 GWEBLXRHSKQTCU-QGZVFWFLSA-N 476.624 2.388 30 10 JEEE C#CCN(c1nnc(COc2ccccc2CC)n1C[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1300504611 OUUJIDBXYLQBGQ-ICSRJNTNSA-N 458.584 2.083 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCO3)n1CC[C@@H](C(F)F)N1CCOCC1 1300522723 MMAWCFOQOLSUSI-SFHVURJKSA-N 457.481 2.103 30 10 JEEE C#CCN1CCN(c2nnc(-c3nn(CCC)c(=O)c4ccccc34)n2CCOC(C)C)CC1 1300697958 LOXKXURDLOULFO-UHFFFAOYSA-N 463.586 2.245 30 10 JEEE C#CCSCCn1c(CCCc2ccccc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1300768564 UCTGYBVSQADJAK-FQEVSTJZSA-N 466.611 2.293 30 10 JEEE C=CCCCn1c(COc2ccc(OC)cc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1301231623 LMPDFHBELJTUQW-UHFFFAOYSA-N 451.531 2.419 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c(-c2cnccn2)nnc1N1CCO[C@]2(CCOC2)C1)C(C)C 1301368011 WUWHIPISBFPJRL-ZJSXRUAMSA-N 453.591 2.429 30 10 JEEE C=CCOc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(CCC(N)=O)CC2)cc1 1301524865 DOBLJPKUVIHDRZ-FQEVSTJZSA-N 487.626 2.275 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)[C@@H](C)CC(N)=O 1301576522 WJOJGOWKQILMSJ-CABCVRRESA-N 465.645 2.432 30 10 JEEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2cc(OC)cc(OC)c2)CC1 1358911451 UODUWXDSAVRSTO-QFIPXVFZSA-N 466.586 2.372 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2cc(Cl)ccc2C1 1358930258 QVJFQORZIQOGHM-LJQANCHMSA-N 463.991 2.241 30 10 JEEE C#CCCCn1c(N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)nnc1[C@@]1(OCC)CCOC1 1358936749 WXQSVYKKGFNRKI-FDDCHVKYSA-N 463.579 2.074 30 10 JEEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC1(NC(=O)OC(C)(C)C)COC1 1358941194 AUKXQKJPBPAVOV-UHFFFAOYSA-N 487.557 2.334 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCN1CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1358955534 NSPHTINCJJTLMV-IRLDBZIGSA-N 498.653 2.258 30 10 JEEE C=C(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(CCO)CCOCC(F)(F)F 1359120939 NAUMWTYMZZYTKZ-UHFFFAOYSA-N 466.464 2.146 30 10 JEEE C=C(C)COCCn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1359136286 FWMDEOUAJCEGTM-UHFFFAOYSA-N 488.564 2.163 30 10 JEEE C=CCCCn1c(N2CCC[C@@H](n3ccc(C(=O)NC)n3)C2)nnc1[C@]1(OCC)CCOC1 1359220947 NMSNKVGUDCPCOG-JPYJTQIMSA-N 457.579 2.294 30 10 JEEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1359283456 RMCJJRDVOKIALS-PMPSAXMXSA-N 456.613 2.204 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C2CCCC2)CC1 1359294139 LKSOBOJHIFAHEA-UHFFFAOYSA-N 462.396 2.403 30 10 JEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 1359303878 DFQYDRSTVKCZQU-HXUWFJFHSA-N 491.600 2.000 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCCc2ccccc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1359334928 VBFINIFZRRXQJJ-RTWAWAEBSA-N 471.627 2.302 30 10 JEEE C[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)Nc3ccccc3-n3cnc(C#N)n3)n(C)c2)C1 1436595620 CJTPYJNKLHOYKV-HNNXBMFYSA-N 453.528 2.150 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCOc1c(C)cccc1C)[C@H]1CCS(=O)(=O)C1 1507641030 YDVHFDSKOZMKLD-QFIPXVFZSA-N 496.637 2.462 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCN1CCCCCC1=O 1507652735 NFOOWXKZTYDZRH-NRFANRHFSA-N 498.628 2.452 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(Br)c2)n1CCCn1cnnn1 1507663936 DMIFUDNVLGEMJS-UHFFFAOYSA-N 469.347 2.256 30 10 JEEE C#CCN1CCN(c2nnc(CSc3ccccc3OC)n2C[C@]2(OC)CCOC2)CC1 1507733312 TXHGUROHSCSHLG-HSZRJFAPSA-N 457.600 2.140 30 10 JEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 1507741540 WMRCNKQAROFBCZ-IBGZPJMESA-N 481.626 2.439 30 10 JEEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CCO[C@H](Cn2cccn2)C1 1507756745 QSFGFSXBGNFYCQ-FQEVSTJZSA-N 452.584 2.346 30 10 JEEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(=O)c2cccc(F)c2)CC1 1507852926 FCPHNOQGXHBWCN-OAHLLOKOSA-N 484.985 2.132 30 10 JEEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(CN2CCO[C@@H](C)C2)c1 1507983317 PYFOJENFXARHJL-RXVVDRJESA-N 459.616 2.071 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCC(O)CC1 1508007756 HXVMSAGZMUSKLM-SFHVURJKSA-N 479.672 2.281 30 10 JEEE C=CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1508047189 MHODNIJXPFJJCA-UHFFFAOYSA-N 452.603 2.409 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1508074658 RITPNCOWSMQFLE-SFHVURJKSA-N 493.395 2.382 30 10 JEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 1508083864 DDHYMEPLISUDGL-KRWDZBQOSA-N 485.658 2.411 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC(C)(C)N2CCOCC2)C1 1508117107 SXFUXHMBORQRNW-GBXCKJPGSA-N 463.623 2.211 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Br)s2)nnc1N1CCN(C)C(=O)[C@@H]1C 1508134681 VKAQPRQPJGKXPO-LBPRGKRZSA-N 488.433 2.037 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CC[C@@](O)(c2ccc(F)cc2)C1 1508143883 KWCMBGLZVUAKAZ-QHCPKHFHSA-N 471.558 2.102 30 10 JEEE CC(C)CO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCS(=O)(=O)CC2)C1 1509464716 GZKNRYMSAUYUAR-HXUWFJFHSA-N 473.599 2.008 30 10 JEEE Cc1nsc(N2CCCN(c3nnc(-c4cccc(C#N)c4)n3CCNC(=O)C(C)C)CC2)n1 1511963471 AEMHBLSOWSFSBE-UHFFFAOYSA-N 479.614 2.466 30 10 JEEE COc1cc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CC2(CS(C)(=O)=O)CC2)cc(OC)c1OC 1517962327 DTQWPFVREKSUHE-JOCHJYFZSA-N 493.561 2.238 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H]1CN(Cc2ccccc2)CCO1 1538976898 QLGKRIRJUPTYPX-NIRIFSCTSA-N 453.587 2.289 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccc(CN(CC)CC)cc1)[C@@H]1CCS(=O)(=O)C1 1539215722 HXHCLQLVORPYCE-HSZRJFAPSA-N 495.653 2.195 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC1CCN(CCC(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 1539216218 PIRGKJGRPPCPFN-JOCHJYFZSA-N 487.674 2.063 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2Cc2ccc(N3CCOCC3)c(F)c2)n1 1539424939 YUOHXGZEYBVWNZ-UHFFFAOYSA-N 467.549 2.093 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CCCOC2CCOCC2)CC1 1539477537 PVYDIJFTUWPCCN-UHFFFAOYSA-N 466.586 2.200 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCOC(C)(C)C)CC1 1539477773 YFIAVNQEYOELFK-UHFFFAOYSA-N 477.569 2.375 30 10 JEEE C#CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1539507463 XCVCEKMVPUDSMV-HXUWFJFHSA-N 482.654 2.453 30 10 JEEE C#CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1539516786 CQXJKZLSLXDCAS-YJBOKZPZSA-N 450.586 2.026 30 10 JEEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1539730017 VTTDCKNVNPQSJZ-DENIHFKCSA-N 489.642 2.098 30 10 JEEE C=C(Cl)Cn1c(N2CCC(CNC(=O)c3cnn(C)c3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1539821345 YIXPBVVKKNMUFI-HSZRJFAPSA-N 492.024 2.451 30 10 JEEE C=CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCn2nc(C)nc2C1)c1ccccc1 1539940521 RJKYYDYUSCJOMO-QFBILLFUSA-N 470.603 2.168 30 10 JEEE C=CCN(Cc1cccs1)c1nnc(C(=O)Nc2ccccn2)n1CC(=O)N1CCOCC1 1540139371 GAZMAZDQHGVRMS-UHFFFAOYSA-N 467.555 2.038 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(Cn2cccn2)CC1 1540867480 XOFDHCPLBHHOGB-UHFFFAOYSA-N 465.558 2.378 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CC(C)C)CC1 1540898995 AOTASBDRVWWOCU-UHFFFAOYSA-N 462.576 2.232 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Br)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1540899055 BWEILXXEIFMKLH-RDJZCZTQSA-N 494.415 2.023 30 10 JEEE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)CN2CCOCC2)C1 1540937892 HAYUMICJUHWKQM-SIKLNZKXSA-N 465.602 2.090 30 10 JEEE C[C@H](CN1CCCC1)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@H]1C 1541874552 HYLMWQGPKNDDTI-RTBURBONSA-N 451.575 2.128 30 10 JEEE Cc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCc2ccc(S(C)(=O)=O)cc2)n1 1542633058 ANKBZQQZEKYWJY-GOSISDBHSA-N 452.540 2.024 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCCc1cnn(C)c1 1545917999 BRTDQAFXNBLNHF-UHFFFAOYSA-N 490.616 2.156 30 10 JEEE CCCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)cc1OC 1547271771 FWRWEWWNYVQXHT-MRXNPFEDSA-N 476.603 2.474 30 10 JEEE C=CCCC[C@H](NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)OC 1558380726 FCJJNZUVKLBGID-ROUUACIJSA-N 453.517 2.152 30 10 JEEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc3nc(-c4ccc(F)cc4)oc3c2)CC1 1562380777 FYXBRFFNBAGHLV-UHFFFAOYSA-N 457.487 2.251 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@H]1CCCOC1)[C@H]1CCS(=O)(=O)C1 1588040972 TUFOUOLWGKGOKT-MSOLQXFVSA-N 474.583 2.016 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCc1nccc(C(F)(F)F)n1)[C@@H]1CCS(=O)(=O)C1 1588054962 QQPNKOCLWZMOHB-HZPDHXFCSA-N 498.531 2.198 30 10 JEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1CCc1nccs1)[C@@H]1CCS(=O)(=O)C1 1588065310 WNCACQBJTMNAMF-LJQANCHMSA-N 485.635 2.398 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCC1CCOCC1 1588194432 WCUGOTZOEXPULK-UHFFFAOYSA-N 469.611 2.475 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2CCS(=O)(=O)NC(C)C)CC1 1588769606 VAQFZCBUBZOXFD-GOSISDBHSA-N 490.699 2.214 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@H](C)CN2CCOCC2)CC1 1588779948 FAWBFZARRIQVTH-LJQANCHMSA-N 473.021 2.331 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCc2cc(C(F)(F)F)ccn2)CC1 1588930026 LHWHWJISNYZLPA-QGZVFWFLSA-N 476.503 2.404 30 10 JEEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(CCN2[C@@H](C)CC[C@H]2C)CC1 1589047943 ODMKTXLFJYSCSJ-BGYRXZFFSA-N 456.664 2.040 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)COC)CC1 1589515939 UPXQUOSRSUMQJH-UGKGYDQZSA-N 455.559 2.230 30 10 JEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN(CC)C(=O)OC(C)(C)C)C1CC1 1595058480 NJMQYRRFWAZXHQ-GOSISDBHSA-N 498.650 2.023 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cc(C)ccc1OC)C1CC1 1595058568 PREVPPORMNLCFP-NRFANRHFSA-N 475.615 2.326 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N(C)CCNC(=O)C(C)C 1595517031 NEHFXNRMRYHLBS-UHFFFAOYSA-N 463.380 2.218 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 1595544942 OGHBWOZWOGBOLW-MSOLQXFVSA-N 462.595 2.310 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](Oc2ccccn2)C1 1595576919 CDVOCGOTMFMKFM-FQEVSTJZSA-N 459.510 2.084 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC(NC(C)=O)CC1 1595760245 LTBTVKOXFSNDMO-MRXNPFEDSA-N 479.578 2.263 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C2CCC2)CC1 1595772601 FCJSOPDBLPKBJH-UHFFFAOYSA-N 450.996 2.269 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@@H](C(N)=O)C1 1595823841 SWELDSOJWXWHOM-CYBMUJFWSA-N 488.397 2.076 30 10 JEEE C[C@H](C#N)CN(C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1596830461 AZYCNFHVQGTQIV-WBVHZDCISA-N 450.996 2.400 30 10 JEEE Cc1ccc(C)c(OCc2nnc(N3CCC(C#N)CC3)n2C[C@H]2CCN(S(C)(=O)=O)C2)c1 1611998101 GAFRWAHSPLFVFU-FQEVSTJZSA-N 472.615 2.495 30 10 JEEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)CC1=O 1619937277 FNMNHSINEOUBNG-GOSISDBHSA-N 497.600 2.367 30 10 JEEE C#Cc1cncc(C(=O)N2CC[C@@H]3[C@@H](C2)NC(=O)N3C2CCN(C(=O)OC(C)(C)C)CC2)c1 1629912115 IZDJCCZOFNGLLL-WOJBJXKFSA-N 453.543 2.071 30 10 JEEE CC#CCS(=O)(=O)c1cccc(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)c1 1638488240 AJCDYFRTBCOLAB-UHFFFAOYSA-N 453.564 2.115 30 10 JEEE C#CCNC(=O)C1CCN(CC(=O)Nc2ccc(S(=O)(=O)c3ccc(F)cc3)cc2)CC1 1654272412 DSMGUDHVVRBBLM-UHFFFAOYSA-N 457.527 2.058 30 10 JEEE Cc1cc(NC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)nn1CCC#N 1665012862 FUJNSTMGZMQMDQ-UHFFFAOYSA-N 452.924 2.424 30 10 JEEE C=CCN(C(=O)Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1)[C@H]1CCS(=O)(=O)C1 1672770366 PMUZVJMDVKMMPR-SFHVURJKSA-N 455.602 2.314 30 10 JEEE C#CCCCn1c(-c2ccc(OC)cc2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1689921114 UVCRDCGEAZLNIN-WMZHIEFXSA-N 450.587 2.356 30 10 JEEE C#CCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1689973862 SZGFVLGQIMYNJN-FPOVZHCZSA-N 468.583 2.002 30 10 JEEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1CCCN1CCC(O)CC1)[C@H]1CCS(=O)(=O)C1 1689979659 FRRSPTCSVPQYPE-LADGPHEKSA-N 499.681 2.294 30 10 JEEE C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@@H]1CCCCC1(F)F)[C@@H]1CCS(=O)(=O)C1 1689979790 HGYFLNSAXRFZFX-OKZBNKHCSA-N 474.574 2.454 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCOCc1ccccc1)[C@H]1CCS(=O)(=O)C1 1689991082 VNPHTLUBUVGGBJ-RTWAWAEBSA-N 458.584 2.016 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CCc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1689992125 HWWYWMLMMRRSHM-NRFANRHFSA-N 465.579 2.142 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H]2CCCN2CCCO)CC1 1690125146 BQLSTPWSGNUDHL-QFIPXVFZSA-N 457.022 2.124 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC1 1690136378 CSQURZUUEBLGHO-SJLPKXTDSA-N 470.540 2.021 30 10 JEEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1690163759 PWNANSYFKOFZNC-IBGZPJMESA-N 471.627 2.487 30 10 JEEE C#CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)Cc1cnn(C)c1 1690173189 XWDCPZQVXUUUOX-UHFFFAOYSA-N 451.604 2.188 30 10 JEEE C#CCSCCn1c(COc2ccccc2OCC)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1690185441 ZFEPZKQMMJRYJW-ROUUACIJSA-N 455.584 2.337 30 10 JEEE C=C(Br)Cn1c(COc2ccc(C)c(C)c2)nnc1N(C)CCNS(C)(=O)=O 1690232311 HCJHKKYRPOJCAJ-UHFFFAOYSA-N 472.409 2.368 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)cc1F 1690265387 NTRWDUKZDCPICT-SFHVURJKSA-N 455.531 2.340 30 10 JEEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 1690312700 ASFGOTCYUUCTRX-ORFBVSJDSA-N 474.650 2.192 30 10 JEEE C=C(Cl)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1690333137 XNHYEGKPOOCEFZ-QFIPXVFZSA-N 495.049 2.249 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC(NC(=O)Nc2ccc(F)cc2)CC1 1690670444 BRKPTUWCFMQUIB-KRWDZBQOSA-N 485.564 2.404 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1690684180 AGRGUZLHRPUSKG-HKUYNNGSSA-N 494.017 2.078 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1690715738 SMHRAMCJZYEBLF-CQSZACIVSA-N 467.621 2.099 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N(C)Cc1ncc(Cl)n1C 1690726874 OSPAAWVLFHOHQB-UHFFFAOYSA-N 489.005 2.141 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1690727289 ZTCDCIOHLSEQFT-CVDCTZTESA-N 460.600 2.048 30 10 JEEE CCCNC(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1695424150 HCZYJPWXQNADMP-GOSISDBHSA-N 489.584 2.247 30 10 JEEE CN(C)CC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1696613787 BZHRLWKBGLSJBI-QFIPXVFZSA-N 495.628 2.144 30 10 JEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 1705532206 IRBWCVABPMLWHE-RBUKOAKNSA-N 470.599 2.152 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1Cc2ccoc2CC(C)(C)C1 1705534663 OADIBHUAUNDHNY-IBGZPJMESA-N 461.588 2.206 30 10 JEEE C#CCN(c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@H]1OCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1705563178 RYJKEANAHHSRDZ-ZWCUEREDSA-N 488.610 2.404 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H]1CCCN(CC(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1705569936 LLCAYOYDIVKEIP-DHIUTWEWSA-N 484.670 2.259 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1705572188 TVALOTCTGBVOSR-MUGJNUQGSA-N 464.632 2.455 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCOC[C@H]1C 1705583056 PJOFQRWJKQPXAR-AABGKKOBSA-N 457.575 2.332 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCCCC1 1705583188 RZTNKLHRXAPENX-FQEVSTJZSA-N 456.591 2.145 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCC(=O)NC(C)(C)C 1705595610 YORRNOZHVUXBQR-UHFFFAOYSA-N 469.615 2.006 30 10 JEEE C#CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CCC2(CC1)COC(=O)N2 1705666027 LNAJIMTUHMOECX-UHFFFAOYSA-N 457.556 2.311 30 10 JEEE C=CCSCCn1c(-c2cc(Br)cn2C)nnc1N(C)CCS(C)(=O)=O 1705940670 LLSUIYAZGLCNFZ-UHFFFAOYSA-N 462.439 2.446 30 10 JEEE CC(=O)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2C[C@H](C)O[C@@H](C)C2)CC1 1705976915 DBZBGZZNDIMMRG-PMACEKPBSA-N 465.602 2.375 30 10 JEEE CC(C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1706204338 FPJMGHVFVFZXOC-IBGZPJMESA-N 452.559 2.242 30 10 JEEE Cc1csc(N2CCN(c3nnc(COc4ccc(C#N)cc4)n3CCC(=O)N(C)C)CC2)n1 1707733018 AEPYNZHUYIQURK-UHFFFAOYSA-N 480.598 2.299 30 10 JEEE CN(C)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1)c1ccc(F)cc1 1710996272 CTJJGMRMMLQCQH-BLIXFSHQSA-N 464.542 2.064 30 10 JEEE COCC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC[C@H](O)C2)CC1 1712108042 AIQNSDCJIOMCAL-RXVVDRJESA-N 452.559 2.099 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)ccc2C)n1CCS(=O)(=O)N1CCSCC1 1722300307 YCXHBNMXHBVPLE-LJQANCHMSA-N 477.656 2.310 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1C[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1722358736 FMXZVQAPQKWWAY-ZBFHGGJFSA-N 452.939 2.401 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@](C)(O)[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1722364201 XWVOIUMNQYLXLH-VUMVONDWSA-N 488.610 2.140 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CCCN1CC)[C@@H]1CCS(=O)(=O)C1 1722371718 XTFCPYVQVOVETQ-DOIPELPJSA-N 477.675 2.308 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(C)(C)c2cccs2)CC1 1722447559 MJOTXAVPELRTCY-GOSISDBHSA-N 489.667 2.185 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2CCCCS2)CC1 1722449910 UBOKBNXJAUFFJS-FQEVSTJZSA-N 455.632 2.391 30 10 JEEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1722465885 VXBSGFMUGWGDRR-JPYJTQIMSA-N 453.568 2.479 30 10 JEEE C=CC[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)NCC)CC1)c1ccccc1 1722596145 DFXJNEHDQCKQPG-NHCUHLMSSA-N 486.642 2.392 30 10 JEEE C=CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)NCC)CC1 1722616442 UFTIDNRKTBMRSI-SFHVURJKSA-N 477.610 2.404 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCC(N2CCCCC2=O)CC1 1722706226 NVGFQWFZQOMDEK-UHFFFAOYSA-N 470.549 2.280 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCO3)n2CCNS(=O)(=O)c2ccc(C)s2)C1 1722725051 KYQXSAXGOREDBF-IAGOWNOFSA-N 467.617 2.259 30 10 JEEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCNC(=O)c1ccc(C)c(F)c1 1727607121 HYUUSZGVDOVXEE-KRWDZBQOSA-N 477.548 2.095 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1C[C@H](C)N(C)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1740615337 BHBWMABYGLCHSY-DLBZAZTESA-N 467.636 2.458 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccccc3Br)n2C[C@@]2(C)COCCO2)CC1 1740694082 YABXVVIIBJNSFL-NRFANRHFSA-N 460.376 2.268 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1740956113 LKICQEOMYINSJG-UHFFFAOYSA-N 466.477 2.016 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1740984545 DQMLYLIZXXXLSZ-GCJKJVERSA-N 478.640 2.210 30 10 JEEE Cc1cc(C)cc(OCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)c1 1742114650 GPLXEFVURZLQCU-OXQOHEQNSA-N 450.540 2.026 30 10 JEEE CCOc1ncccc1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C#N)C1 1746894348 HHQBVPZUHHDNMF-IBGZPJMESA-N 481.944 2.432 30 10 JEEE C#CCN(c1nnc(CCOc2ccccc2)n1CCN1CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1748821295 OIPSHXRTQCKVOX-YADHBBJMSA-N 485.654 2.258 30 10 JEEE C#CCSCCn1c(N2CCN(c3ccccc3C#N)CC2)nnc1[C@]1(OCC)CCOC1 1749049315 IQJVUZHWFVXLRR-DEOSSOPVSA-N 466.611 2.495 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccn2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1749127173 KFBVVRIUQMLEBW-JTAQYXEDSA-N 467.618 2.358 30 10 JEEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2nccnc2C)CC1 1749235083 OKZJGSQSOPTKMI-UHFFFAOYSA-N 451.579 2.157 30 10 JEEE C=C(C)COCCn1c(COc2ccc(OC)cc2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1749238695 ARSCDUDKCZCQHH-QHCPKHFHSA-N 457.531 2.489 30 10 JEEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCc2ccccc2)CC1 1749268709 GCBFAXMQPIIZSO-IBGZPJMESA-N 450.008 2.297 30 10 JEEE C=CC[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)CS(C)(=O)=O)c1ccccc1 1749384555 CYBQYMHBJLHFIV-DFQSSKMNSA-N 480.656 2.409 30 10 JEEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1749402140 KKYSMMAOEKOJCU-AQNXPRMDSA-N 451.637 2.084 30 10 JEEE C=CCOc1ccc(Cn2c(N3CCN(C(C)=O)CC3)nnc2[C@]2(OCC)CCOC2)cc1 1749686469 BNZVUACVFLGMMR-DEOSSOPVSA-N 455.559 2.212 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC2(O)CCS(=O)(=O)CC2)C1 1749698975 YGXYYIVQUZYCPH-MSOLQXFVSA-N 494.589 2.278 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3Cl)n2CC2(O)CCS(=O)(=O)CC2)C1 1749703541 KARYLHDSJVRWMD-INIZCTEOSA-N 466.991 2.320 30 10 JEEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)Cc2cccc(F)c2)CC1 1760153539 UWUOSQQJPRWVEI-HXUWFJFHSA-N 452.534 2.063 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(Br)c2)n1CCS(=O)(=O)NC(C)C 1760199001 MPXXVHNENULLMU-UHFFFAOYSA-N 494.415 2.117 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(NC(=O)NC(C)C)cc1 1760233390 MECFPHKMRJKBRA-SFHVURJKSA-N 458.588 2.218 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1CC[C@H](N1CCOCC1)C(F)(F)F 1760245906 ODEVQPQWEJJVAY-FQEVSTJZSA-N 495.502 2.413 30 10 JEEE C#CCN1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2C[C@@H](CC(C)C)N(C)C)CC1 1760259070 GHMWSKDMXPAMKI-HSZRJFAPSA-N 479.677 2.184 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2ccccc2C(F)(F)F)CC1 1760261880 RKSPGJRSWGUIBI-GOSISDBHSA-N 481.544 2.197 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCCO2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1760335546 OBNIKHHPKRLDTD-URVUXULASA-N 460.623 2.148 30 10 JEEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1760433637 JLMHOUZGFQXFGK-QZTJIDSGSA-N 461.544 2.276 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCN(CC(C)C)C(=O)C1 1760517302 IWUXDYVJCMRWOW-UHFFFAOYSA-N 493.381 2.454 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(CCOC)[C@@H](C)C1 1760551371 CNZBRDPESBPPKW-INIZCTEOSA-N 486.013 2.495 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCc2c(F)cc(F)cc2C1 1760558921 FNYBMNLERDBNFB-YWZLYKJASA-N 482.553 2.444 30 10 JEEE CC(C)C(=O)NCCn1c([C@@H]2CCCCO2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1760855784 GCQMFQSBEDGJRB-QFIPXVFZSA-N 465.602 2.486 30 10 JEEE CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)N(C)C2CC2)CC1 1762053805 BZUQRPPDMBOPFC-WOJBJXKFSA-N 478.645 2.336 30 10 JEEE CCN(C[C@@H]1CCCO1)c1nnc(COc2ccc(C#N)cc2)n1CCN1CCOC[C@@H]1C 1765171990 FRLURWMCHNLAPT-UGKGYDQZSA-N 454.575 2.455 30 10 JEEE CCN(CC)[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1766596808 HWIVHTPVVXMMKK-AZUAARDMSA-N 466.590 2.015 30 10 JEEE CN(CCN1CCOC(C)(C)C1)c1nnc(COc2ccc(C#N)cc2)n1C[C@](C)(O)C1CC1 1767383214 GLXPWERPGMVCTI-VWLOTQADSA-N 468.602 2.437 30 10 JEEE COCCN(CCC#N)c1nnc([C@H]2COc3ccccc3O2)n1CC1(O)CCN(C(C)C)CC1 1769845098 HBEPVMTWJCHBLH-JOCHJYFZSA-N 484.601 2.392 30 10 JEEE COc1ccc(Cn2c(CNC(=O)c3cccs3)nnc2N2CC[C@@](F)(C#N)C2)cc1O 1770234904 AGASQGVRBHVLQU-OAQYLSRUSA-N 456.503 2.474 30 10 JEEE COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2CCNC(C)=O)cc1 1862644793 TXEAOCWYOHHGBN-HXUWFJFHSA-N 470.453 2.335 30 10 JEEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(C(=O)O)cc1 1862740344 QYBOUGWHQDCLNM-GOSISDBHSA-N 453.407 2.007 30 10 JEEE COc1ccc(N2CCN(C(=O)CNC(=O)C3CCN([C@H](C#N)c4cccs4)CC3)CC2)cc1 1868782470 JCAICSYWQVEJEI-JOCHJYFZSA-N 481.622 2.498 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCCCO)cn1CCc1ccc(OC)cc1 1870358160 WLXBGOGRLFSPRN-UHFFFAOYSA-N 469.582 2.151 30 10 JEEE C=CCn1cc(OCC(=O)NCCN(CC)CC)c(=O)cc1CNc1cccc(NC(C)=O)c1 1870976083 YHUHQFWDTNXSBJ-UHFFFAOYSA-N 469.586 2.442 30 10 JEEE CC(=O)NCc1nnc(SCC(=O)NC2CCCCC2)n1/N=C/c1ccccc1[N+](=O)[O-] 1874433904 CRJAGDLBLBEHIF-SSDVNMTOSA-N 459.532 2.246 30 10 JEEE CC(C)NC(=O)[C@H](C)N1CCN(C(=O)[C@@H]2SCC(=O)N(C(C)C)[C@H]2c2ccc(C#N)cc2)CC1 1892246340 CNUWEPHHWCGJRR-OFAXGOBFSA-N 485.654 2.009 30 10 JEEE CC(C)(C)OC(=O)NCC1(NS(=O)(=O)N2CC[C@H](C#N)C2)CCN(Cc2ccccc2)CC1 2130840771 XGPWXDCYOFFDFB-HXUWFJFHSA-N 477.631 2.226 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CCS(C)(=O)=O)C(=O)N1CCC=C(B2OC(C)(C)C(C)(C)O2)C1 2132676691 NGQPTMMAXMBLLF-MRXNPFEDSA-N 472.413 2.105 30 10 JEEE CC(C)(C)OC(=O)N1CC([S@](C)(=O)=NC(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)C1 2255811896 SZQJSMVLPIVDIZ-HKBQPEDESA-N 471.410 2.300 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC2CCN(C(=O)OCc3ccccc3)CC2)n1 2255815301 LTLLOGBUGGHUJL-UHFFFAOYSA-N 468.363 2.250 30 10 JEEE CON(CCNC(=O)OC(C)(C)C)S(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2255932434 BFADGYYKFLDAID-UHFFFAOYSA-N 476.426 2.433 30 10 JEEE CN([C@H]1CC[C@H]1OCc1ccccc1)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2267368783 NXBQOWLHZBIIEI-ZWKOTPCHSA-N 461.393 2.088 30 10 JEEE CS[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1 2267486209 JXZNQHIXTGYESC-DLBZAZTESA-N 463.409 2.462 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@H](F)C1CN(C(=O)OC(C)(C)C)C1 2267598366 YYNBPINOEJYKCL-INIZCTEOSA-N 451.348 2.259 30 10 JEEE C[C@@H](NC(=O)C1(CO)CN(C(=O)OC(C)(C)C)C1)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2268640881 ZMSKYPPBTBQLSR-CQSZACIVSA-N 466.409 2.454 30 10 JEEE CC[C@](C)(CNC(=O)OC(C)(C)C)N(C)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282329721 QMFVEPDPTKAZPX-OAQYLSRUSA-N 486.444 2.033 30 10 JEEE CCN([C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282349483 ZHXHZWOQGBQWGC-LJQANCHMSA-N 474.436 2.004 30 10 JEEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)[C@H](C#N)C1 2282498388 CQASDIYMBLFQGJ-MRXNPFEDSA-N 497.448 2.322 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)OC(C)(C)C)n1 2282589341 MNQSFDRNVZFEQN-OIISXLGYSA-N 460.384 2.330 30 10 JEEE Cn1nc(C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C2)cc1B1OC(C)(C)C(C)(C)O1 2282628240 MJHITGGVCDYGPY-MRXNPFEDSA-N 462.400 2.485 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)CC2(CC2)C1 2282692279 VYACSYZRNMSALF-OAHLLOKOSA-N 458.368 2.295 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@@H](C(=O)Nc3ccnc(B4OC(C)(C)C(C)(C)O4)c3)[C@@H]2C1 2283980868 FRTPMKTWPYZCKO-BBWFWOEESA-N 459.352 2.201 30 10 JEEE C[C@H](OCc1ccccc1)[C@@H](NC(=O)c1nn(C)c(Cl)c1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284432884 FHFOEBBQRHECEX-XJKSGUPXSA-N 477.754 2.161 30 10 JEEE CCOc1ccccc1OCc1nnc(SCC(N)=O)n1N=Cc1ccccc1C(=O)O 2326821128 ZKOMQHAVGMIAOX-UHFFFAOYSA-N 455.496 2.414 30 10 JEEE COC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1N=Cc1cc(OC)ccc1OC 2329035195 ZSCNLYRBPNZVPH-OAHLLOKOSA-N 461.544 2.167 30 10 JEEE CCOC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)[C@@H]1C[C@@H]1B1OC(C)(C)C(C)(C)O1 2334271691 WMPNNOPVHKENDY-OWCLPIDISA-N 452.357 2.480 30 10 JEEE CN1CCN(C(=O)OC(C)(C)C)[C@@H](COc2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)C1 2345677937 PITWRIJPONZAGN-OAHLLOKOSA-N 451.348 2.450 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](NS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)[C@@H]2C[C@@H]21 2359276222 ACDNHRDJXGXUDJ-LZWOXQAQSA-N 499.464 2.260 30 10 JEEE CC(C)(C)OC(=O)N1CC(N(C(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)[C@@H]2CCOC2)C1 2362575008 PATRFWGWTKOFCY-CQSZACIVSA-N 479.408 2.293 30 10 JEEE CC1(C)OB(c2cc(F)ccc2S(=O)(=O)N[C@@H](CCO)COCc2ccccc2)OC1(C)C 2369618008 GGIJGTKEDZMCCM-IBGZPJMESA-N 479.379 2.371 30 10 JEEE COc1ccc(O)c(/C=N/Nc2nnc(SCC(=O)c3ccc(OC)c(OC)c3)n2N)c1 20527458 JPFDHGPUZFGGRG-LSHDLFTRSA-N 458.500 2.144 30 10 JEEE CCOc1cc(/C=N/Nc2nnc(SCC(=O)Nc3ccc(OC)cc3)n2N)ccc1O 21326380 JMLDDMLIHXXQLO-SSDVNMTOSA-N 457.516 2.282 30 10 JEEE CCOc1cc(/C=N/Nc2nnc(SCC(=O)Nc3cccc(OC)c3)n2N)ccc1O 21326539 AHQUZPAVXJEUFC-SSDVNMTOSA-N 457.516 2.282 30 10 JEEE C=CCN1[C@@H](CSCC(F)(F)F)Nc2cc(Cl)c(S(N)(=O)=O)cc2S1(=O)=O 247988522 JSEFQDBDJGPCIW-LBPRGKRZSA-N 465.928 2.211 30 10 JEEE Cc1ccc(S(=O)(=O)N[C@H](C(=O)O[C@@H](C)C(=O)N(CCC#N)c2ccccc2)[C@H](C)O)cc1C 777300161 LLZJRINUUKALNR-IPJJNNNSSA-N 487.578 2.210 30 10 JEEE COc1cc(C=NNc2nnc(SCC(=O)Nc3ccc(F)cc3F)n2N)cc([N+](=O)[O-])c1O 1084273989 FPQGEDUKTZGHIK-UHFFFAOYSA-N 494.440 2.069 30 10 JEEE COc1cccc(C(C)=NNc2nnc(SCC(=O)Nc3ccc4c(c3)OCCO4)n2N)c1 1084367456 IMFNOOZJJHRHKH-UHFFFAOYSA-N 469.527 2.339 30 10 JEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1ccc(OCCN(C)C)c(Cl)c1 1136750650 DWODBYWXMWVDIB-AWEZNQCLSA-N 450.948 2.458 30 10 JEEE C=CCn1cc(CNC(=O)N2CC[C@@H](c3ccc(F)cc3)[C@@H](NC(=O)C(F)(F)F)C2)nn1 1252076947 MIZHIGBISNAGOT-IRXDYDNUSA-N 454.428 2.349 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CCSCC=C)c1 1286311804 QBSVJNIESLOGOQ-SFHVURJKSA-N 473.624 2.156 30 10 JEEE C#CCN(c1nnc(CCCc2ccccc2)n1C[C@H]1CCN(CC)C1)[C@@H]1CCS(=O)(=O)C1 1286393550 QOPBWKLADIZXSX-XZOQPEGZSA-N 469.655 2.422 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(C(F)(F)F)c1 1286457891 WWFWQUHXJVSVAN-CQSZACIVSA-N 459.494 2.041 30 10 JEEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2CCS(=O)(=O)C(C)(C)C)CC1 1286483744 XESCOLDMRJCOHQ-UHFFFAOYSA-N 473.643 2.040 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1286561242 AOGYUHMRTGXYNP-CTNGQTDRSA-N 486.642 2.085 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CCNS(C)(=O)=O 1286564673 WXEBBOLXJXDDOC-WJFTUGDTSA-N 469.652 2.163 30 10 JEEE C=C(C)COCCn1c(N2CCO[C@](C)(c3cnn(C)c3)C2)nnc1[C@@]1(OCC)CCOC1 1286614546 VDDNFYRDUIRQNC-XZOQPEGZSA-N 460.579 2.008 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCN(C)C(=O)OC(C)(C)C)CC1 1286645712 HACYYOXTQVANPL-GOSISDBHSA-N 498.650 2.024 30 10 JEEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](CCN2CCCC2=O)c2ccccc21 1286768961 IWEZWKJOGHDXQJ-IAGOWNOFSA-N 458.588 2.322 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCCO1 1286772380 CGQNNKCJYJJOKM-ROUUACIJSA-N 451.568 2.404 30 10 JEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 1286776114 DWCIQBJVCVRQAE-HOTGVXAUSA-N 457.597 2.032 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1286793555 HGFDNWDSUSBQQP-DENIHFKCSA-N 478.601 2.092 30 10 JEEE CNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCCC2(C)C)CC1 1299287930 HMWXFYJPVWTBKM-XMMPIXPASA-N 467.574 2.131 30 10 JEEE COC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCC(C)CC2)CC1 1299456049 GTHHXKCNJACRKU-UHFFFAOYSA-N 467.574 2.349 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1300481663 BLWBSQSSPUNPGB-KRWDZBQOSA-N 495.447 2.148 30 10 JEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1C[C@@]1(C)COCCO1)[C@H]1CCS(=O)(=O)C1 1300483985 QDTDNJCZHLACHB-RXVVDRJESA-N 464.975 2.031 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CC[C@]2(CCOC2)O1 1300578635 NQPNECNLYZTTAC-YZIHRLCOSA-N 499.612 2.388 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@](C)(O)C2CC2)CC1 1300712953 ZCMGFNQOCWVINM-AREMUKBSSA-N 478.597 2.274 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC)n2Cc2cccc(C(=O)N[C@H](C)CC)c2)CC1 1300726859 SCAORMYSOQJLBY-GOSISDBHSA-N 450.587 2.383 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1300733219 UGDOBNVJEKKHCJ-YMPZKCBVSA-N 498.672 2.421 30 10 JEEE C#CCSCCn1c(-c2ccccc2F)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1300754028 FZNYTJPPHDVASF-GOSISDBHSA-N 493.630 2.081 30 10 JEEE C#CCSCCn1c(N2C[C@H](CC)[C@H](N3CCOCC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1300776956 PKJSHVGYQDVDTG-YZUZCNPQSA-N 477.675 2.232 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1-n1ccnc1 1300780939 ZIZFIPBQJKXLIW-HTAPYJJXSA-N 453.572 2.114 30 10 JEEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cnn(-c2ccccc2)n1 1300848679 HNXWDWDESHIZAE-HNNXBMFYSA-N 492.403 2.306 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc(Cc2csc(C)n2)n1C[C@]1(O)CCS(=O)(=O)C1 1301401393 BAGWVKBNYDKRFH-HSZRJFAPSA-N 487.651 2.419 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(OCc2ccccc2)CC1 1301475317 QEGJTGGADBYLPC-UHFFFAOYSA-N 452.559 2.002 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(C(F)(F)F)CC1 1301496747 GKFPYWACBKLISN-UHFFFAOYSA-N 475.475 2.273 30 10 JEEE C=CCOc1ccccc1Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](CNC(C)=O)C1 1301531633 RTPPABVIVXICTC-FQEVSTJZSA-N 466.586 2.366 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3ccccc3n2)nnc1N1CCC(S(C)(=O)=O)CC1 1301577513 PLBZXYCDTFZRJG-UHFFFAOYSA-N 489.623 2.108 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)C1CC1 1301587458 ZYRCVCLYHINPQP-UHFFFAOYSA-N 456.572 2.435 30 10 JEEE C[C@H]1CCCN([C@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCNC(=O)CC2)C1 1305028604 HKHUTCREIZFIFS-RBUKOAKNSA-N 451.575 2.175 30 10 JEEE CN(C)[C@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](C#N)C1)c1cccs1 1314647733 DATHXBINCRMVSY-IEBWSBKVSA-N 486.623 2.442 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cccnc1OC 1358890196 MIZNPNCNBQFPCQ-AEFFLSMTSA-N 456.547 2.496 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@H]1C[C@H](C)O[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1358962758 WFQGHXSORPFCAZ-IYWMVGAKSA-N 457.600 2.479 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCCCN1C1CC1 1358971966 OXLMROKWZZTCHA-JOCHJYFZSA-N 480.638 2.285 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(Br)c[nH]2)n1CCCN(C)S(=O)(=O)CC 1358986709 FAEQLDRHFNNVGO-UHFFFAOYSA-N 481.420 2.170 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(OC)cc1C(F)(F)F 1359023317 GXLQLWJBPIUFFG-QGZVFWFLSA-N 451.449 2.391 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(C(F)(F)F)cc2)CC1 1359040475 WKEKYWUJBNWEPX-UHFFFAOYSA-N 476.503 2.449 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(N(C)C(C)=O)CC1 1359091395 MSFGHQDRRYGCDO-RXVVDRJESA-N 467.574 2.354 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2ccc(Cl)cc2)C1 1359121822 KKQMQQXFNOCUAX-RBUKOAKNSA-N 482.006 2.418 30 10 JEEE C=C(C)COCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCS(=O)CC1 1359126228 JLQXMCUDPANGJP-UHFFFAOYSA-N 451.980 2.023 30 10 JEEE C=C(Cl)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1359144294 DXKWLUOWNVSKAP-INIZCTEOSA-N 459.894 2.372 30 10 JEEE C=C(Cl)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2nccc(OC)n2)CC1 1359155214 PYRJTALQGZBJJB-UHFFFAOYSA-N 474.978 2.147 30 10 JEEE C=Cc1ccc(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C#N)CC2)cc1 1359170890 CKQPCSOVWVDLDR-NRFANRHFSA-N 470.599 2.237 30 10 JEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H]1CCOc2ccccc21 1359240828 YCMOYRPRHZGGHY-YLJYHZDGSA-N 461.588 2.190 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N1CCO[C@H](C(=O)NC)C1 1359295084 PKMLGMJWRGWNRI-KRWDZBQOSA-N 484.557 2.066 30 10 JEEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@@H](C)[C@@H](F)C1 1359300464 CIEKPAGXTHLVEQ-WBVHZDCISA-N 450.559 2.489 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC[C@H](COC)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1359305824 NVOIHOIKOHIZNM-OKZBNKHCSA-N 462.595 2.214 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2ccc(C)cc2)CC1 1359336542 UDXMKUNRVQSQPF-UNMCSNQZSA-N 489.642 2.238 30 10 JEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1359343543 VLLQAPOQRMMTDA-IAGOWNOFSA-N 466.633 2.250 30 10 JEEE C=CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1359345492 HSWQXQDPVSLHMT-HNNXBMFYSA-N 464.617 2.466 30 10 JEEE CC(C)[C@@H]1CCCN1c1nnc(COc2ccc(C#N)cc2)n1CCN1CCCS1(=O)=O 1359737698 DIOCXWBGGUXSQV-FQEVSTJZSA-N 458.588 2.389 30 10 JEEE CC(C)(C)OC(=O)N1CCCO[C@@H](CNC(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C1 1470144613 AMRGTOLXPSPEJB-SFTDATJTSA-N 457.575 2.432 30 10 JEEE COC(=O)N1CCC(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC(C)(OC)C2)CC1 1503886651 BWLDHMGEQHCDOB-UHFFFAOYSA-N 454.531 2.432 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccc(OC)cc3)n2CCN2CC=CCC2)CC1 1507740043 MWFNUPRWIXBOMU-UHFFFAOYSA-N 476.625 2.300 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@H](C)N(C)C2CC2)CC1 1507741280 YNOUCSSVNNGRLQ-SFHVURJKSA-N 468.577 2.445 30 10 JEEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 1507756343 MVOMJQHWWIQPFK-FYYLOGMGSA-N 495.697 2.447 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(CC)CC)n1CCCN1CCC[C@H]1C(=O)N(C)C 1507762542 VQGTZXRSZCIDKY-NBGIEHNGSA-N 471.650 2.131 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCOC2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1507796961 JZFGNJKHJULIIE-QSUVIHHLSA-N 461.607 2.131 30 10 JEEE C=C(C)CN(CC)c1nnc(C(=O)NC(C)C)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1507806444 IDNUBYMXGBEKKV-MSOLQXFVSA-N 452.625 2.023 30 10 JEEE C=CC[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)C(=O)C1)c1ccccc1 1507924465 NUBRTDIUMKOHEP-HKUYNNGSSA-N 472.615 2.059 30 10 JEEE C=CCCCCCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(=O)N1CCOCC1 1507929251 PDZOAFWEPAJPQC-UHFFFAOYSA-N 479.585 2.233 30 10 JEEE C=CCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1507949754 KJDMGKOVKVSBOU-UHFFFAOYSA-N 456.978 2.416 30 10 JEEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](c2cccc(F)c2)C1 1507964832 MAMNSOWWOYQYPD-PZJWPPBQSA-N 493.605 2.337 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@@H](CC(N)=O)C1 1508072587 GQDKFFUAQMQZMK-MOPGFXCFSA-N 454.575 2.429 30 10 JEEE CC(=O)N1CCC(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)C[C@H]2CCN(C(C)=O)C2)CC1 1508195117 HEOSFGRPBYIJQE-JOCHJYFZSA-N 463.586 2.380 30 10 JEEE C[C@@H](Oc1ccccc1F)c1nnc(N2CCO[C@H](C#N)C2)n1CCN1CCN(C)C(C)(C)C1 1510280506 HUDAJQMIIPFFQD-RTBURBONSA-N 471.581 2.312 30 10 JEEE C#CCCCn1c(N2CC[C@@H](N3CCN(C(C)C)CC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1539141142 SKSNFOCMOXVUJT-RDGATRHJSA-N 458.651 2.337 30 10 JEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCc1nnc(C)s1 1539179892 TWOKUJLNKPUBSZ-MRXNPFEDSA-N 461.592 2.449 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@](C)(O)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1539211218 JETHOCDBEDMVER-XXBNENTESA-N 457.600 2.298 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)N[C@H](C)c1ccccc1 1539267315 YLEPRSPBBIRMKT-TZIWHRDSSA-N 453.612 2.382 30 10 JEEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2CCCN2C[C@H](C)O[C@H](C)C2)CC1 1539454199 JFAWAOFVXGLQQF-ZRZAMGCNSA-N 480.657 2.326 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC[S@](=O)CC)CC1 1539468756 IJBGDLDNZUIZSD-UAIZEJDJSA-N 475.590 2.292 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2CC2CCOCC2)CC1 1539482525 MOMYDUKUUJJQDU-UHFFFAOYSA-N 451.571 2.270 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@@](C)(O)C(C)C)CC1 1539484324 LCZPEXBQENPWQK-AREMUKBSSA-N 467.614 2.445 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccccc1[N+](=O)[O-] 1539614886 DTPKUEKGXCMZCV-AYBZRNKSSA-N 478.575 2.414 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)CC 1539631501 LLZUWFLVBOBAGO-MKXGPGLRSA-N 455.625 2.075 30 10 JEEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1539804635 YYNVGTKYVOTWIR-OAGGEKHMSA-N 466.970 2.054 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1539917577 FPHKWLLDCQMSJZ-TZIWHRDSSA-N 465.602 2.180 30 10 JEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 1540858317 QQHYHGBXKUHZPY-UXHICEINSA-N 496.033 2.400 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCCN(c2nccc(OCC)n2)CC1 1540868058 QKHPUWBHAXPMOJ-UHFFFAOYSA-N 476.585 2.461 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCC(C)(c2nc(C)no2)CC1 1540872030 AGBJYDUADUHEFI-UHFFFAOYSA-N 465.558 2.429 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CC(C)(C)OC[C@@H]1C 1540903441 DVOGVZGGIYWETE-QFBILLFUSA-N 462.572 2.395 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1540906756 AFHVRFAQCKMIBJ-IBGZPJMESA-N 465.664 2.301 30 10 JEEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@](C)(O)c2cccs2)C1 1547780027 HQNVIQLGESHVNI-PGRDOPGGSA-N 486.623 2.304 30 10 JEEE CCOC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)C(=O)NC)C1 1547810547 HNAPSQRYFBIYHC-GOSISDBHSA-N 453.547 2.304 30 10 JEEE CNC(=O)[C@@H]1CN(C(=O)COCCOC)C[C@H]1C1CCN(c2ccc(C#N)c(C(F)(F)F)c2)CC1 1548393469 JRVZUDDKNVZNRV-VQTJNVASSA-N 496.530 2.277 30 10 JEEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(COc3ccccc3C(F)(F)F)CC2)C1=O 1567777136 KPDCWCNNHRMZFD-UHFFFAOYSA-N 453.417 2.300 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC[C@H](C(F)F)N1CCOCC1 1587621194 PKEFPOVWQBBQPW-QFBILLFUSA-N 485.539 2.006 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)C)n2CC2(CS(C)(=O)=O)CC2)c1 1587693434 SNCOUMMFGLMUOZ-UHFFFAOYSA-N 457.600 2.358 30 10 JEEE C#CCN(c1nnc(CSc2ccc(C)cc2)n1CCNC(=O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1588075150 ZATIVWANWBNTSQ-LJQANCHMSA-N 489.667 2.278 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1Cc1ccccc1CN1CCOCC1 1588646135 GZJLGCUGQHBQNR-QHCPKHFHSA-N 453.587 2.139 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CCC(=O)NCc2ccccc2)CC1 1588884847 ONVOAXPTWPZIOV-UHFFFAOYSA-N 450.587 2.248 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1Cc1ccnc(OC2CCOCC2)c1 1589135149 TYUURGSSGOAPLU-XMMPIXPASA-N 452.559 2.410 30 10 JEEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 1594679316 CXHKKEBGSGFFBN-MRXNPFEDSA-N 481.022 2.357 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cn(C)nc1-c1ccccc1 1595219570 WZBZLKPGBQQHQR-NRFANRHFSA-N 497.625 2.238 30 10 JEEE C=CCn1c(-c2ccc(Br)s2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1595343153 DBDNVSJXMVUDAC-NSHDSACASA-N 463.365 2.487 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C(C)C)N2CCOCC2)C1 1595674462 QBCLLEDFMFTZKQ-PMACEKPBSA-N 469.590 2.064 30 10 JEEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 1595845636 XRRFISCHPBIDAE-QGZVFWFLSA-N 484.692 2.179 30 10 JEEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(c2ccccc2C#N)CC1 1595845794 ZXZJFBDLPAPAPY-SFHVURJKSA-N 489.671 2.396 30 10 JEEE C=CCNC(=O)CNC(=O)CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S 1631619802 YGYPFUKOPWXCIC-MDWZMJQESA-N 454.371 2.069 30 10 JEEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)C1CCN(C(=O)OCc2ccccc2)CC1 1655924661 TZILJXIKQWWWIE-UHFFFAOYSA-N 450.557 2.394 30 10 JEEE N#Cc1cnn(-c2ccccc2)c1NC(=O)CN1CCCC[C@@H]1COC(=O)N[C@@H]1CCOC1 1658561552 AHWKPRSKSGKUKP-UYAOXDASSA-N 452.515 2.052 30 10 JEEE CC(C)(C)OC(=O)N1CCN([C@@H]2CCCN(C(=O)NCCc3ccc(C#N)cc3)C2)C(=O)C1 1683818274 BNUFOAMLVJSHHJ-HXUWFJFHSA-N 455.559 2.354 30 10 JEEE C#CCN(c1nnc(C2CC2)n1CCc1c(OC)cc(OC)cc1OC)[C@@H]1CCS(=O)(=O)C1 1689988784 WIEDJMNGONYHAL-QGZVFWFLSA-N 474.583 2.051 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@]1(N(C)C)CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1689993039 UQQQMTNWTSWHJV-HOKHCIIBSA-N 484.670 2.401 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCCn2ccnn2)CC1 1690138337 ZFDCOZOTMMWBDS-SFHVURJKSA-N 480.548 2.205 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCN2CCC[C@H]2C)CC1 1690139792 AFYQQNJAHSHKNE-QGZVFWFLSA-N 455.994 2.444 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@](C)(O)c2ccco2)CC1 1690140399 XJDIVEJYFLBANY-AREMUKBSSA-N 493.564 2.429 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@@H](C)N2CCC[C@H](C)C2)CC1 1690148476 IOEPYJWOPRFEFQ-LEWJYISDSA-N 463.630 2.350 30 10 JEEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)Cc1cnn(CC)c1 1690171238 XNOWLLHBWGQUIJ-UHFFFAOYSA-N 462.583 2.411 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC([C@@H]2CCOC2)CC1 1690236817 RNNCXFDEAPQKRH-AFYVEPGGSA-N 467.636 2.122 30 10 JEEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 1690464847 LYEIXPNETNXOBN-HXUWFJFHSA-N 490.586 2.438 30 10 JEEE C=CCCOCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN2CCOC[C@@H]2C1 1690496934 CGGJVOBZFRJICI-NRFANRHFSA-N 454.575 2.261 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H]2CCCO2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1690684517 HJNVKERKIZRLAM-UYAOXDASSA-N 461.588 2.261 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC[C@@H](Oc2ccccc2)C1 1690722174 AFEINRVVXWOBTE-LJQANCHMSA-N 454.556 2.384 30 10 JEEE COCC[C@@](C)(O)Cn1c(COc2ccc(Br)cc2)nnc1N1CCO[C@H](C#N)C1 1697934329 CDLNUQKIDQWQPF-YLJYHZDGSA-N 480.363 2.136 30 10 JEEE C#CCN(c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC=C)[C@H]1CCS(=O)(=O)C1 1705565709 JTXVHOFNTGAMRX-SFHVURJKSA-N 463.604 2.205 30 10 JEEE C#CCN(c1nnc(COc2ccccc2OCC)n1C[C@H]1CC=CCO1)[C@H]1CCS(=O)(=O)C1 1705568873 WQNWKIAQSUOHLC-VQTJNVASSA-N 486.594 2.228 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@]1(O)CCC[C@@H]1C 1705621968 TXXDDZGFOQGZFM-GAJHUEQPSA-N 459.978 2.499 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCC1(O)CCOCC1 1705626981 PWIQFUJBRAHTMN-UHFFFAOYSA-N 494.596 2.254 30 10 JEEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](n2cncn2)C1 1705664148 KSPQRSCBOZUWKB-INIZCTEOSA-N 456.601 2.069 30 10 JEEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1705664349 NDSRQUWTCPQMJO-GOSISDBHSA-N 485.639 2.430 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1705895483 IGXXEANMWJRRNK-UHFFFAOYSA-N 462.945 2.494 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)CCC2CCCC2)CC1 1705935694 AOCBPHUEZSTTSA-FQEVSTJZSA-N 479.647 2.002 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCC(C(F)(F)F)CC2)nnc1[C@]1(OCC)CCOC1 1705939160 SPEXAMAJKKYWHI-SFHVURJKSA-N 466.526 2.310 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccc(N2CCOC2=O)cc1)[C@H]1CCS(=O)(=O)C1 1722359346 RZLSOJUGLKJZNS-IBGZPJMESA-N 471.583 2.207 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCN(CC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1722360556 UZYKCGSZFALRAA-QGZVFWFLSA-N 495.447 2.147 30 10 JEEE C#CCN(c1nnc(-c2ccccc2)n1CCCN1CCCO[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1722363732 VDNZWELLTZAZBT-IFMALSPDSA-N 471.627 2.073 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@](C)(O)c1cc(C)oc1C)[C@H]1CCS(=O)(=O)C1 1722364491 HOXGUPUSFOSGSV-GBXCKJPGSA-N 483.594 2.008 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CCOC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1722369699 DUEPDMHCWRMQNZ-ALGQRKQJSA-N 478.659 2.496 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCO[C@H]1C(=C)C)[C@@H]1CCS(=O)(=O)C1 1722370254 BBCXARJFWNSOPW-IMSXRSKXSA-N 495.605 2.337 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1cn2ccsc2n1 1722389537 JPEFMPNIPVTPFY-UHFFFAOYSA-N 493.618 2.416 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H](C)Oc2ccccc2F)CC1 1722446922 BNNJFWWJJPEOQZ-PKOBYXMFSA-N 455.534 2.354 30 10 JEEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CCN1CCOC(C)(C)C1 1722457891 RCSHFEHPVBQNGC-UHFFFAOYSA-N 495.653 2.105 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H]1CCCS(=O)(=O)C1 1722469169 VPPLBFHQAZTPCY-STZQEDGTSA-N 450.605 2.136 30 10 JEEE C=CCCOCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(C(=O)NCC)CC1 1722624657 DYVUPEKOJSUMPM-UHFFFAOYSA-N 456.547 2.161 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c(-c2cccnc2)nnc1N1CCN2C(=O)NC[C@H]2C1)C(C)C 1722667532 VXMIWFGIHDEJRH-LEWJYISDSA-N 450.591 2.253 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1722693957 GMOHYHVZURUOHP-IBGZPJMESA-N 474.631 2.063 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1722725465 LXOQZKLDCAYMOX-QGZVFWFLSA-N 457.560 2.091 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CCC2(CCOCC2)C1 1722729836 YLIZARORNAQTCE-UHFFFAOYSA-N 460.600 2.485 30 10 JEEE CO[C@@H](Cn1c(Cc2cccnc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C)C(C)C 1729892411 FMOANCMFOLPRNZ-NQIIRXRSSA-N 461.574 2.312 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1cccc(C(=O)NC)c1 1740537695 GNCYVBTTXPIIEX-INIZCTEOSA-N 479.610 2.412 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCSCc1ccccc1F 1740550066 HOISOPUPVOKVJW-QFBILLFUSA-N 481.619 2.141 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccnc2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1740683309 BGQJVJAMURFQER-GOSISDBHSA-N 452.481 2.079 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2CCCCN2CCC[C@H]2CO)CC1 1740704455 QCAFNRWSLRKVFT-QHCPKHFHSA-N 478.641 2.456 30 10 JEEE C=C(Br)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1740740398 CNSNSRGPQBYTHQ-UHFFFAOYSA-N 467.331 2.312 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@]2(C)CCCS2)CC1 1740838883 ANBHXALYWMCKEP-YLJYHZDGSA-N 455.650 2.299 30 10 JEEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C2CCOCC2)C1 1740864115 JUXFIDCUMVTZCO-VQTJNVASSA-N 467.636 2.220 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@@H]2CCSC2)cc1 1740967609 LOFBAQWLCBTQEW-QUCCMNQESA-N 493.655 2.166 30 10 JEEE Cc1ccc(OCc2nnc(N(C)C[C@H](C)C#N)n2CCS(=O)(=O)N2CCSCC2)cc1C 1742262943 ARQNOALMPMIQGN-QGZVFWFLSA-N 492.671 2.448 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1cccnc1OCCOC 1748672684 WRNREYAQEIRUFB-LJQANCHMSA-N 476.585 2.379 30 10 JEEE COc1ccc(CCn2c(C(=O)NC(C)C)nnc2N2CCN(c3ccc(C#N)cn3)CC2)cc1F 1748733059 DSVKRFSDBVMXSN-UHFFFAOYSA-N 492.559 2.400 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1Cc1snnc1C)[C@@H]1CCS(=O)(=O)C1 1748809941 XQRHLTQBBGSLPS-GOSISDBHSA-N 456.597 2.342 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@H]2NC(=O)CC2(C)C)CC1 1749019528 YCBICCKHEFSSSO-OAQYLSRUSA-N 478.597 2.046 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCN(c2cnn(C)c2)CC1 1749118772 JLIMCVCRLOPJKP-ZVDOUQERSA-N 459.595 2.043 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCn1ccnn1 1749546750 DGIQBKRIOQFYOY-GOSISDBHSA-N 459.551 2.194 30 10 JEEE C=CCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1749633473 AJDGTORNBQDKPJ-IBGZPJMESA-N 492.628 2.459 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](c2ccccc2C)C1 1749650699 FPCHOQXWLBGHAN-IBGZPJMESA-N 461.526 2.114 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1749734942 OEXSPEDQKMYSJH-UHFFFAOYSA-N 481.648 2.174 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(Cc2ccccc2OC)CC1 1749735454 TTZGRZMNHJNAKS-NRFANRHFSA-N 489.642 2.104 30 10 JEEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CC(=O)NCCc1ccccc1 1750523978 GONKQQMYZXKOTC-KCZVDYSFSA-N 466.586 2.284 30 10 JEEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@H](Cn2cccn2)C1 1760144092 CRVWHTQBMLXRGE-FQEVSTJZSA-N 467.961 2.377 30 10 JEEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CCc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1760181290 RVSDAWBGSFGOMR-XUZZJYLKSA-N 490.601 2.327 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1CCO[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1760181495 WCLUVGPZYJBWHN-NLWGTHIKSA-N 488.610 2.404 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CC1(O)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1760185893 GNQIHOCAFGLWEN-QGZVFWFLSA-N 478.565 2.469 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCCO2)n1C[C@@H]1C[C@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1760208134 KGLWIWRNQILMOL-VNTMZGSJSA-N 455.559 2.227 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H](C(C)C)N1CCOCC1 1760216672 WZVVNUIPZMSEFN-JOCHJYFZSA-N 473.581 2.414 30 10 JEEE C#CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1CCOC[C@@H]1C 1760243787 FDZHOVBXJOWXTO-PKOBYXMFSA-N 474.631 2.305 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2CCO[C@@H](C)C2)CC1 1760266765 LREMITJSJCQBAU-OALUTQOASA-N 499.637 2.130 30 10 JEEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1760284304 KPBGLYYWHACOFK-QGZVFWFLSA-N 452.588 2.205 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N(C)CC(=O)N1CCOCC1 1760325124 OEVOHZRWHRJRKW-OFVILXPXSA-N 483.613 2.348 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)c1sc(CC)nc1C 1760522366 RTJVQVZBUQSGFC-HUUCEWRRSA-N 466.633 2.007 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCS(=O)(=O)N(C)C)C1 1760544221 VXBCFGXLSCFUBM-GOSISDBHSA-N 453.996 2.195 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1760551907 WGIIQRREXOTLBI-NRFANRHFSA-N 473.643 2.267 30 10 JEEE C=CCSCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1760559262 FMDZQWCOLCEYPF-NVXWUHKLSA-N 491.017 2.138 30 10 JEEE CC(C)NC(=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1Cc1cccnc1N1CCOCC1 1761199046 CQPAKKWDAJLKQE-UHFFFAOYSA-N 474.569 2.204 30 10 JEEE CC[C@H](C)N(C)CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCO[C@@H](C#N)C1 1762005356 DJMFIHYPOTUVCB-ROUUACIJSA-N 464.574 2.134 30 10 JEEE CC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1)OC 1762343147 BVQPIMAJFNUBSQ-DYESRHJHSA-N 451.575 2.031 30 10 JEEE CCOC(=O)N[C@@H](CC(C)C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](C(N)=O)C1 1765717277 HOKVOTRFBPASER-OALUTQOASA-N 453.547 2.289 30 10 JEEE CCO[C@@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2CC2(S(C)(=O)=O)CCCC2)CCOC1 1765888527 CKKULUVPLAEABB-UNMCSNQZSA-N 465.620 2.418 30 10 JEEE COc1cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC(C)(C)CN(C)C)cc(OC)c1OC 1768279565 ACZNKLJBZFAZFV-KRWDZBQOSA-N 458.563 2.287 30 10 JEEE COCCN(CCC#N)c1nnc(-c2ccc3c(c2)OCCO3)n1CCC1(O)CCOCC1 1771109708 BSFPBHGIJPHCBK-UHFFFAOYSA-N 457.531 2.014 30 10 JEEE N#C[C@]1(F)CCN(c2nnc(COc3ccccc3F)n2C[C@H]2CCCCS2(=O)=O)C1 1771530230 FNTJLYULTDERJZ-FOIQADDNSA-N 451.499 2.405 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)[C@H](C)Oc3cccnc3NC(=O)N(C)CC(=O)O)cc21 1858830468 ZCHITCIFVHDHBH-AWEZNQCLSA-N 468.466 2.192 30 10 JEEE COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2C[C@@H](C)O)cc1 1862610314 HVJNLRCKFMJJEM-XCLFUZPHSA-N 453.447 2.204 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCNC(C)=O)[C@H]2c2cccc([N+](=O)[O-])c2)cc1F 1862642004 FVSPSVSSCIDKEQ-IBGZPJMESA-N 457.414 2.457 30 10 JEEE Cc1nc(SCc2cc(=O)c(OCC(=O)NC(C)C)cn2CCOCCO)c(C#N)c(C)c1C 1870285559 BEPQSPAYMSZQJI-UHFFFAOYSA-N 488.610 2.245 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCCN2C(=O)c3ccccc3C2=O)cn1CCN(C)C 1870377491 IEOMVARAGFODNN-UHFFFAOYSA-N 464.566 2.259 30 10 JEEE C#CCN(C(=O)C1(O)CC(NC(=O)OC(C)(C)C)C1)C1CCN(C(=O)OC(C)(C)C)CC1 2080887012 KCNVBELTEHJJTC-UHFFFAOYSA-N 451.564 2.266 30 10 JEEE CC(C)(C)OC(=O)N[C@@]1(CNC(=O)c2ccsc2B2OC(C)(C)C(C)(C)O2)CCOC1 2255808500 KICUAOZSAMUFOO-OAQYLSRUSA-N 452.382 2.461 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H](CO)NC(=O)c1cc(Cl)ccc1B1OC(C)(C)C(C)(C)O1 2255817243 RJUGTQNTOPHIMH-AWEZNQCLSA-N 454.760 2.255 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@@]1(C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2256629469 VHEFUEFHGBBWRZ-MPBGBICISA-N 453.370 2.311 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1(C)C 2256637964 XNZSOQLXEZXCQD-LBPRGKRZSA-N 452.386 2.233 30 10 JEEE COCC1(NC(=O)OC(C)(C)C)CC(NC(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)C1 2266992951 WLIBFLZOVIRLOI-UHFFFAOYSA-N 467.397 2.244 30 10 JEEE Cc1nc(C(=O)N[C@H]2COC[C@H]2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2267166419 RRECULRDGYHDQN-KGLIPLIRSA-N 467.397 2.020 30 10 JEEE Cc1cc(S(=O)(=O)NC[C@H]2C[C@H]2NC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2267364625 BYQFNPPIIPNSDK-CRAIPNDOSA-N 466.409 2.486 30 10 JEEE CN(CC1CN(C(=O)OC(C)(C)C)C1)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2267471483 HXFPDJIOOHWWOV-UHFFFAOYSA-N 487.453 2.071 30 10 JEEE C=C(CS(=O)(=O)NC[C@]12CN(Cc3ccccc3)C[C@H]1CCO2)B1OC(C)(C)C(C)(C)O1 2267720538 MHMPQQPMAXLIMK-OFNKIYASSA-N 462.421 2.385 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@H]1CNC(=O)c1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2281783662 NROXWTHUVDZZQG-MRXNPFEDSA-N 464.343 2.491 30 10 JEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CCC[C@](CO)(NC(=O)OC(C)(C)C)C1 2281796872 OSFSGTHJKCIPJN-QHCPKHFHSA-N 464.368 2.379 30 10 JEEE Cn1ncc(C(=O)N2CC[C@@H]3[C@@H](CCN3C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2281821895 GZCGEKKWSCASDD-DOTOQJQBSA-N 460.384 2.191 30 10 JEEE Cn1ncc(C(=O)N2CC[C@@H]3[C@H](CCN3C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2281821897 GZCGEKKWSCASDD-NVXWUHKLSA-N 460.384 2.191 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@]12CC[C@@H]1CN(Cc1ccccc1)C2 2282020229 WEIFNMHHHBHVMX-CLOONOSVSA-N 450.392 2.361 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@]2(C)C1 2282045286 ZXDJCACHIJYWLN-CMJOXMDJSA-N 460.384 2.048 30 10 JEEE Cc1c(C(=O)N2CC[C@](C)(CNC(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282545126 VTOJJWMGTQBOQE-HSZRJFAPSA-N 462.400 2.405 30 10 JEEE C[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2CN1C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2282577655 HUCJHKWVIQNVNJ-OWCLPIDISA-N 460.384 2.047 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](NC(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)CC[C@H]2C1 2282582650 YNYNNZDLPKWPOQ-XHSDSOJGSA-N 460.384 2.474 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@H]2CCN(C(=O)c3csnc3B3OC(C)(C)C(C)(C)O3)C[C@H]21 2282614704 UDQZDKDKSJFHPZ-CVEARBPZSA-N 479.408 2.293 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@]2(NS(=O)(=O)c3cncc(B4OC(C)(C)C(C)(C)O4)c3)C[C@@H]2C1 2282832468 PPMHRRQKTMNHSF-IVZQSRNASA-N 479.408 2.059 30 10 JEEE C[C@H](NS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)c1cnn(Cc2ccccc2)c1 2282842558 ABNYZOGHZQJXBQ-INIZCTEOSA-N 471.392 2.004 30 10 JEEE CC1(C)OB(c2ccc(C(=O)NC[C@@H]3CCCN(C(=O)C(F)(F)F)C3)c(O)c2)OC1(C)C 2282883288 YFLDMJQTBMQLBC-ZDUSSCGKSA-N 456.270 2.222 30 10 JEEE CN(C(=O)OC(C)(C)C)[C@@H]1CN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CC12CC2 2283073143 YJFPZVBIUHGNMC-OAHLLOKOSA-N 458.368 2.247 30 10 JEEE COc1ccc(NC(=O)[C@H]2C[C@@H](O)CN2C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2283949055 VCHMRORLDQXEJM-RDTXWAMCSA-N 462.352 2.303 30 10 JEEE CN(C(=O)OC(C)(C)C)[C@H]1COC[C@H]1C(=O)NCc1ccccc1B1OC(C)(C)C(C)(C)O1 2283983149 GQTNFOKJJNZCSZ-MJGOQNOKSA-N 460.380 2.484 30 10 JEEE CC(C)(C)OC(=O)NCC1(C(=O)NCCc2ccccc2B2OC(C)(C)C(C)(C)O2)COC1 2284037088 CGAZFMSADLHSEK-UHFFFAOYSA-N 460.380 2.186 30 10 JEEE CN(Cc1ccccc1B1OC(C)(C)C(C)(C)O1)C(=O)[C@]1(NC(=O)OC(C)(C)C)C[C@@H](O)C1 2284056465 JNDKJXMFELWTLB-SMQSCJQKSA-N 460.380 2.362 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@H]1C 2285203907 DWQOEKNNJCSVQP-HIFRSBDPSA-N 455.286 2.361 30 10 JEEE COC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)(C)C)C2)n1N=Cc1cc(OC)c(O)c(OC)c1 2327874575 WWPFONSTZNLMNW-CQSZACIVSA-N 491.570 2.263 30 10 JEEE Cn1ncc(C(=O)N[C@@H]2C[C@@H]3C[C@H]2CN(C(=O)OC(C)(C)C)C3)c1B1OC(C)(C)C(C)(C)O1 2359263418 UCJOLQLVSCIMSV-YQQAZPJKSA-N 460.384 2.095 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2359267237 WGKUJDIRVDNPIV-UAGQMJEPSA-N 458.368 2.294 30 10 JEEE CC(C)(C)OC(=O)N[C@@]1(C)CN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CC1(F)F 2361915303 FSENPRNQLRHENU-FQEVSTJZSA-N 468.310 2.150 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N=[S@](C)(=O)CCN(C)C(=O)OC(C)(C)C)n1C 2362323839 JKAJTFLBHPFSIZ-MGBGTMOVSA-N 484.428 2.133 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC[C@@H]2[C@@H]1CCN2C(=O)OC(C)(C)C 2362358038 VDGRBHOQSOZGNM-CVEARBPZSA-N 460.384 2.333 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2CC[C@@]2(CNC(=O)OC(C)(C)C)C1 2362460564 JSPYBPJIPNSSJS-IQMFZBJNSA-N 460.384 2.096 30 10 JEEE C[C@H]1CN(C(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)CC2(CN(C(=O)OC(C)(C)C)C2)O1 2362502355 CVSWKJSIUADRHG-AWEZNQCLSA-N 479.408 2.293 30 10 JEEE COC[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)N(C(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C1 2362505123 KRTFSXXPNSHFQS-GJZGRUSLSA-N 481.424 2.444 30 10 JEEE CN(CCN1CCN(C(=O)OC(C)(C)C)CC1)C(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2362564791 VVEICOLSFWKDKD-UHFFFAOYSA-N 480.440 2.067 30 10 JEEE CC1(C)OB(c2sncc2C(=O)NC[C@]23CN(Cc4ccccc4)C[C@@H]2CCO3)OC1(C)C 2362576725 MWEYLRYZEMYEDQ-UUOWRZLLSA-N 469.416 2.463 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2[C@H](NC(=O)c3cc(F)c(B4OC(C)(C)C(C)(C)O4)cc3O)[C@H]2C1 2364888659 BLZVNDDSVNMPBL-UOIKSKOESA-N 462.327 2.426 30 10 JEEE CC1(C)OB(c2cc(O)c(C(=O)N3CCC(NC(=O)C(F)(F)F)CC3)cc2F)OC1(C)C 2364944101 TZRIHLCVCNCKLK-UHFFFAOYSA-N 460.233 2.114 30 10 JEEE COCCn1cc(/C=N/Nc2nc(SCCC(=O)Nc3ccccc3[N+](=O)[O-])n[nH]2)cn1 59887225 KEVKQOAMMRIJCH-VXLYETTFSA-N 459.492 2.123 30 10 JEEE C=C1C[C@@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@@H]2O)C[C@@H]2CC[C@@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]3[C@@]12C 616590091 NEROJAIFUVJKBJ-LTWHKPNVSA-N 478.582 2.042 30 10 JEEE COC(=O)CCCn1c(=C(C#N)C(=O)c2sccc2C)sc(=Cc2cnn3ccccc23)c1=O 729669990 HCTALPWUDAFBBH-UHFFFAOYSA-N 492.582 2.267 30 10 JEEE C#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1C[C@H](O)C[C@@H](C(=O)O)C1 757413109 JVCVWIYWJWDXHV-QZMQVMSPSA-N 462.502 2.211 30 10 JEEE Nn1c(NN=Cc2c(O)ccc3ccccc23)nnc1SCC(=O)NCc1ccc2c(c1)OCO2 1084144099 OYJDGZUUPYZLFW-UHFFFAOYSA-N 491.533 2.434 30 10 JEEE C#CCCN1CCN(C(=O)[C@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc(C)cc2)CC1 1136499011 HTXJZHDKFRXKTB-XMMPIXPASA-N 451.592 2.278 30 10 JEEE C#CCOc1ccc(CNS(=O)(=O)C[C@@H]2CN(C(=O)OCc3ccccc3)CCO2)cc1 1211900130 OQCOXMFRZOUAAM-QFIPXVFZSA-N 458.536 2.156 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2CC2(COC)CCOCC2)c1 1286309153 HPTPWHKJNPQFLH-UHFFFAOYSA-N 475.553 2.235 30 10 JEEE C#CCN(c1nnc(CSc2ccc(C)cc2)n1C[C@@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1286398656 ZOZWVGJKFXRHKO-RTBURBONSA-N 461.657 2.456 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(OC)c(OC)c2)n1Cc1ncnn1C(C)(C)C 1286462945 BSROUPABUXBCIL-UHFFFAOYSA-N 453.547 2.443 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2C[C@@H]2CC[C@H](CO)O2)CC1 1286470797 CHWKOEYODUFYEO-BHIFYINESA-N 453.587 2.330 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2[C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 1286480373 MOGBOWFGDKKZHV-ZACQAIPSSA-N 459.538 2.229 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H](C(C)C)N2CCCC2)CC1 1286495096 XKHYCVQUFFSRCV-VXKWHMMOSA-N 456.635 2.258 30 10 JEEE C#CCSCCn1c(N2CCN(C(=O)C(C)(C)C)CC2)nnc1[C@]1(OC(C)C)CCOC1 1286512738 NNRXVKHKXJNEFT-QHCPKHFHSA-N 463.648 2.380 30 10 JEEE C=CCCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCO[C@@H](CNC(C)=O)C1 1286685596 SZIZQWOJIGHMGF-IBGZPJMESA-N 489.646 2.244 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc(C(=O)Nc2ccccn2)n1CCC(=O)N1CCOCC1 1286742456 ZPGVVLINHFGBFA-UHFFFAOYSA-N 475.553 2.367 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@]2(O)CCO[C@@H]2C)C1 1286814076 JOUNJOLFWNCOMX-HLSAHWISSA-N 477.606 2.370 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCN(C(C)=O)CC1 1286815255 PUIIJVRRMKDBPY-INIZCTEOSA-N 477.656 2.401 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCCN(CC(F)(F)F)CC1 1286818813 PBPCUXXOSUJHMT-UHFFFAOYSA-N 458.510 2.015 30 10 JEEE CC(C)N1CCC[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCNC(=O)CC2)C1 1287983988 CKBOYDURIYLZIK-HXUWFJFHSA-N 451.575 2.175 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1CCC(=O)NC1CCCCC1 1288775927 IEOTXXSHRWAJOP-QGZVFWFLSA-N 487.630 2.235 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1CCOCC)[C@@H]1CCS(=O)(=O)C1 1300485308 YTNYHIYNJUOCFT-MRXNPFEDSA-N 454.499 2.210 30 10 JEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1C[C@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1300499796 XDMXOJIYLXJKGF-GHTZIAJQSA-N 450.992 2.310 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CC(F)(F)CNC(=O)OC(C)(C)C)CC1 1300700661 UFIBFMCQNAGUBF-QGZVFWFLSA-N 468.549 2.087 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCc1cnn(C)n1 1300805946 LTTRUSHJYWIGKV-YADARESESA-N 484.605 2.340 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](c2nnc(C(C)C)o2)C1 1300872760 GZJHAVWHPGGRNU-KURKYZTESA-N 473.578 2.482 30 10 JEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(N3CCCC3)nc2)CC1 1301106437 UMIUICRQFAVTFH-QGZVFWFLSA-N 459.620 2.334 30 10 JEEE C=CCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1301145755 GGFVKWQRMIDPGW-GHTZIAJQSA-N 454.623 2.270 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1301492661 MNCYPLXQEKGCHL-KRWDZBQOSA-N 481.557 2.415 30 10 JEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N(C)CC(=O)Nc1ccc(C)cc1 1301508448 LUJDTNDETULODC-UHFFFAOYSA-N 453.572 2.319 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1Cc2ccc(Br)cc2C1 1301568366 SEJMEUXCZLNUSB-UHFFFAOYSA-N 482.404 2.300 30 10 JEEE C=CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCNC(=O)[C@H]1CC 1301611061 FASVIEFNTSQZOB-SJORKVTESA-N 480.635 2.221 30 10 JEEE Cc1nnc(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N(Cc2ccc(C#N)cc2)C2CC2)s1 1304778165 FTDJBPKYMAWZPA-CQSZACIVSA-N 486.627 2.332 30 10 JEEE CS(=O)(=O)N1CCC(NC(=O)CN(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)CC1 1307534454 APBAOJMFHOAZRR-UHFFFAOYSA-N 458.559 2.240 30 10 JEEE C#Cc1cccc(NC(=O)NC(=O)CN(Cc2cc(C)c(C)c(S(N)(=O)=O)c2)C2CC2)c1 1307894161 FONRQHXBGAFHFJ-UHFFFAOYSA-N 454.552 2.245 30 10 JEEE CO[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCN2CCCO)C1 1315707169 GWMUUNNSRSLBDX-UNMCSNQZSA-N 454.575 2.191 30 10 JEEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCNC(=O)c1ccco1 1358896222 ZRZZRVQPEJTNJT-NRFANRHFSA-N 475.597 2.124 30 10 JEEE C#CCN(c1nnc(-c2nnc(O)c3ccccc23)n1CCCCSC)[C@H]1CCS(=O)(=O)C1 1358962940 ZIVNLGTZEJZLIZ-INIZCTEOSA-N 486.623 2.364 30 10 JEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1C[C@]1(C)CCCO1)[C@H]1CCS(=O)(=O)C1 1358965784 BDYRNZMFYIZQFK-RDPSFJRHSA-N 472.611 2.268 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(Br)c3)n2CCc2n[nH]c(C)n2)CC1 1359030691 BZCACOYEDLCBFR-UHFFFAOYSA-N 455.364 2.132 30 10 JEEE C#CCSCCn1c(-c2ccccn2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1359054389 UEJHTMYMSDXVQO-UGKGYDQZSA-N 467.643 2.085 30 10 JEEE C=C(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(C(=O)NCC)CC1 1359120836 FSCSPLHTNLYMMW-UHFFFAOYSA-N 450.547 2.103 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1csc(C)n1 1359121812 KHXDRVHXVFAHRV-IAGOWNOFSA-N 452.606 2.294 30 10 JEEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 1359231551 ZHILAPNMZTUKKT-HOTGVXAUSA-N 456.613 2.158 30 10 JEEE C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1359283881 BMSXAPGEILTLLF-UHFFFAOYSA-N 462.396 2.356 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CCN(c2nccnc2C)CC1 1359304582 BPRCLYSBLGVQMH-UHFFFAOYSA-N 476.585 2.147 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1359336211 IKNCYQODLORTRR-IYWMVGAKSA-N 465.664 2.470 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)N3CCC(N(CCO)C(=O)OC(C)(C)C)CC3)cc2C1=O 1454591633 OQDGXNKJQDBGCQ-UHFFFAOYSA-N 457.527 2.303 30 10 JEEE CN(Cc1ccccn1)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1503490250 GYBKAIJSMGBDQT-SFHVURJKSA-N 451.556 2.130 30 10 JEEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](c1cccs1)N1CCOCC1 1507604399 AVLBRYFSWJHHAJ-KRWDZBQOSA-N 451.556 2.130 30 10 JEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(F)(F)Br 1507606623 SCSOIGYDFOQKKJ-UHFFFAOYSA-N 462.320 2.253 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCc1ccncc1)[C@H]1CCS(=O)(=O)C1 1507621477 AWXFELFRAODEOD-QFIPXVFZSA-N 492.605 2.412 30 10 JEEE C#CCN(c1nnc(C)n1Cc1ccc(OC(F)F)c(OCC)c1)[C@H]1CCS(=O)(=O)C1 1507624707 CYCJNXVJMSSRTO-INIZCTEOSA-N 454.499 2.262 30 10 JEEE C#CCN(c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@H]1CCC(=O)N1)[C@@H]1CCS(=O)(=O)C1 1507629631 VJMZMHMADUFSKA-WOJBJXKFSA-N 469.611 2.148 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H](OCC)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1507631270 NGJNWUXEARTYMT-CTNGQTDRSA-N 466.567 2.140 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCn1ccnc1C 1507666416 BVZKIIOLXDHCGH-UHFFFAOYSA-N 454.538 2.343 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@H]2CCCCS2(=O)=O)CC1 1507722127 PTXRVUDPGXQLFA-GHTZIAJQSA-N 475.590 2.280 30 10 JEEE C#CCN1CCN(c2nnc(Cc3cn4ccccc4n3)n2C[C@@H](C)CNC(=O)OC(C)(C)C)CC1 1507724446 PRRRDDYAQWBMGM-FQEVSTJZSA-N 492.628 2.433 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@H](OC)C(C)C)CC1 1507729602 IXQWLMDOYMFPCG-VQTJNVASSA-N 476.622 2.013 30 10 JEEE C#CCSCCn1c(-c2ccccc2OC)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1507748481 PDIYTFHMWPIKAH-GOSISDBHSA-N 477.656 2.428 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1507800996 QUDWLKACJDYJLD-NSHGMRRFSA-N 485.589 2.446 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)C[C@@H]1CCCOC1 1508073405 XKGFEPSKBRWVJR-KRWDZBQOSA-N 460.966 2.027 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1c1nc2ccccc2s1 1508074840 NSYXSSQJSIWYOJ-GDBMZVCRSA-N 489.627 2.142 30 10 JEEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCc2c(F)ccc(F)c2C1 1508090744 IMONXLQNGWCFPB-UHFFFAOYSA-N 472.521 2.413 30 10 JEEE C=CCOc1ccc(Cn2c(-c3cnn(C)c3)nnc2N2CCC(NS(=O)(=O)CC)CC2)cc1 1508100951 RQDIZWLDSXYFOQ-UHFFFAOYSA-N 485.614 2.200 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H](C)N(C)C)C1 1508121742 ABPKSPGAXHCFPR-OTWHNJEPSA-N 464.611 2.318 30 10 JEEE C#CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1539104910 SZINKTWZLVAYQS-AUSIDOKSSA-N 480.613 2.365 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H](C)N(C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1539216245 PTPXWICGDFPCGD-FPOVZHCZSA-N 466.611 2.420 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC[C@H](C)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1539230671 OSCRRMZMVRXZDA-RBBKRZOGSA-N 487.674 2.031 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(Br)c2)n1CCN1CCCS1(=O)=O 1539346805 KJDLKALGNLQHNK-UHFFFAOYSA-N 452.378 2.203 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCn1ccnc1C 1539422798 LMQLLBXOKGNMSE-KDURUIRLSA-N 457.579 2.340 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2CC2CCN(CC(F)(F)F)CC2)CC1 1539430453 KAAGCKZAAOWNAT-SFHVURJKSA-N 472.556 2.032 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H](C(C)C)N2CCOCC2)CC1 1539462773 YLWFBZMHZQRPCT-QHCPKHFHSA-N 470.593 2.108 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N(C)CCNS(=O)(=O)c1ccc(C)cc1 1539626199 BNXGQLXVYPVTCB-UGKGYDQZSA-N 497.625 2.439 30 10 JEEE C=C(C)COCCn1c(-c2ccccc2C)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1539743641 NBHBUEWMMGIHRG-UHFFFAOYSA-N 454.575 2.019 30 10 JEEE C=C(Cl)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1539813095 VBWBPMZKRPIHPZ-HXUWFJFHSA-N 450.996 2.323 30 10 JEEE C=CCN(CC=C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1540152430 UMMYMLMITJREAW-MRXNPFEDSA-N 465.480 2.367 30 10 JEEE COc1ccc(S(=O)(=O)C[C@@H](C)C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)cc1 1540510657 CYTCLLWKPRDSOC-OAHLLOKOSA-N 458.540 2.191 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCCO[C@H](C)C1 1540870472 OEJZINXADVQTBU-QZTJIDSGSA-N 462.595 2.310 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1540904870 QYNJGAXUDPKGQV-OAQYLSRUSA-N 470.599 2.090 30 10 JEEE CC(C)(C)OC(=O)N1CC(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@](C)(C(N)=O)C2)C1 1541199569 CBOBTVINOUNXNK-DEOSSOPVSA-N 465.558 2.385 30 10 JEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@@H](c1ccc(Cl)cc1)n1cccn1 1587527535 GSAUBKUSWBDEGN-YWZLYKJASA-N 457.943 2.481 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCCC(F)(F)C1 1587638992 IQNKTINIBXNQSJ-ULQDDVLXSA-N 459.563 2.285 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1ccc(OC)cc1F)[C@@H]1CCS(=O)(=O)C1 1588049252 CYKXHSLULYRTJI-GOSISDBHSA-N 469.542 2.471 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1ccc(COC)cc1)[C@@H]1CCS(=O)(=O)C1 1588051117 ZRMIAGDVSIKSCQ-OAQYLSRUSA-N 465.579 2.470 30 10 JEEE C#CCN(c1nnc(C2CCCC2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1588054915 PWYSYMUSHMYTHB-ZVDOUQERSA-N 477.675 2.450 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1C[C@@H](c1ccccc1OC)N1CCCC1 1588074156 KNTZSNYQIAWKEW-QFIPXVFZSA-N 460.582 2.433 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(Br)c2)n1CC(=O)NCC(F)(F)F 1588581639 ZEUBISXVBIFYPD-UHFFFAOYSA-N 474.281 2.472 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC2(C)CC2)CC1 1588930227 QMSUIYWWYSIETC-LJQANCHMSA-N 486.617 2.352 30 10 JEEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1588994635 YNHYQBRCFVQATK-LJQANCHMSA-N 464.613 2.342 30 10 JEEE C#CCSCCn1c(COc2ccccc2F)nnc1N1CCc2nn(C)c(=O)cc2C1 1589117240 WLOXHBCPPLKONE-UHFFFAOYSA-N 454.531 2.019 30 10 JEEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1593703740 MZCZQOAFOQFFOS-OAHLLOKOSA-N 487.424 2.146 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1593747583 ZTZMTHCJTSDSCE-GOSISDBHSA-N 488.589 2.110 30 10 JEEE C=CC[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCS(C)(=O)=O)c1ccccc1 1594545534 UIISSKNCTCNKDI-RTBURBONSA-N 466.629 2.021 30 10 JEEE C=CCNC(=O)Cn1c(N2CC[C@H](CCOC)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1595602421 JQUMAPFFPPDKFX-KURKYZTESA-N 462.595 2.214 30 10 JEEE C=CCn1c(SCC(=O)N(CC)[C@H]2CCS(=O)(=O)C2)nnc1-c1cccc(OC)c1 1640970815 YFXLMAKTFSMWJH-INIZCTEOSA-N 450.586 2.267 30 10 JEEE C#Cc1ccc(CNC(=O)N2CCN(S(=O)(=O)c3ccc(C(=O)OCC)cc3)CC2)cc1 1686525313 GYHDXLWPEJRSKV-UHFFFAOYSA-N 455.536 2.061 30 10 JEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H]1CCCN(Cc2ccccc2)C1 1689910855 SCAURNKXPKXRQX-TZIWHRDSSA-N 458.632 2.403 30 10 JEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCOC[C@@H]1CCCO1 1689966132 LHTJLRIINDBOEY-OALUTQOASA-N 463.579 2.242 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@](C)(O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1689980896 ZBIFHQUMVVBRRI-QUZZAMIASA-N 476.574 2.345 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1C[C@@H](c1cccc(OC)c1)N(C)C)[C@H]1CCS(=O)(=O)C1 1689992278 IZAFJEFZOIPLBG-UNMCSNQZSA-N 473.643 2.415 30 10 JEEE C#CCN(c1nnc(CC2CCCC2)n1CC(=O)N(C)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1689994223 UJHTXDMNNDCLKC-JOCHJYFZSA-N 483.638 2.296 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1CCC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1689996234 FPFITYJDGZTTGT-IBGZPJMESA-N 460.600 2.262 30 10 JEEE C#CCN(c1nnc(COCC)n1Cc1cc(OC)nc2ccccc12)[C@H]1CCS(=O)(=O)C1 1689997094 VUCNCMJJSOKDAU-SFHVURJKSA-N 469.567 2.046 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(OCCCC)c(OC)c2)CC1 1690122201 KBNCUZVOLYDTSB-HXUWFJFHSA-N 466.586 2.220 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1690212450 MAJQHOILPKLKTA-AUSIDOKSSA-N 457.600 2.439 30 10 JEEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1690469043 BRUKWZOIQGMPJI-LJQANCHMSA-N 457.623 2.050 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[C@](C)(O)c2ccccc2)C1 1690700331 QRWGEKOCJWQSIM-XQFWAAQXSA-N 460.600 2.259 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](CC)c2ccccc2)nnc1N1CCC(N2CCNC2=O)CC1 1690715746 SWIIWPUKAYQHJX-NRFANRHFSA-N 486.642 2.415 30 10 JEEE CCNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1695907610 HSOWHDBYWOFLCE-LJQANCHMSA-N 472.615 2.383 30 10 JEEE C#CCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1705509992 QXNOTUZLIFMQPJ-QHCPKHFHSA-N 465.514 2.471 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H](C)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1705563418 WZTZDGOZEFBIKG-PKOBYXMFSA-N 473.599 2.031 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1CC(F)(F)CNC(=O)OC(C)(C)C 1705587888 NAEHQLJTPCZTMB-IRXDYDNUSA-N 467.517 2.235 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H]1CCCCS1(=O)=O 1705669136 DNDZSXVZUVGOPH-VLCRHTCISA-N 450.605 2.278 30 10 JEEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1705689001 BJABUWMECQGKKQ-AWEZNQCLSA-N 475.438 2.060 30 10 JEEE C=C(Br)Cn1c(N2CCN([C@H](C)c3nc(C)no3)CC2)nnc1[C@]1(OCC)CCOC1 1705692333 GPDLEPDGVYJBNP-QRWLVFNGSA-N 496.410 2.413 30 10 JEEE C=C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCCN2CCC(O)CC2)CC1 1705764856 PJLKBJYFTLDKLD-UHFFFAOYSA-N 488.658 2.199 30 10 JEEE C=CCOc1ccc(Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CC(=O)N(C)[C@H](C)C2)cc1 1705910949 SPCKSYWIMYWRKN-LZNRXBQRSA-N 455.559 2.282 30 10 JEEE CC(C)[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1706245853 CPTIHVWGYDRVAL-RUZDIDTESA-N 474.569 2.044 30 10 JEEE CN(C)[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CC[C@@](F)(C#N)C1)c1c(F)cccc1F 1710997796 GEXPIXUHMJTZDE-HTAPYJJXSA-N 461.492 2.424 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2CC2([S@](C)=O)CCC2)c1 1722306332 IUEJRGOIACMFNR-WHUARKNTSA-N 455.584 2.487 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H]1CCCN(C(C)C)C1)[C@H]1CCS(=O)(=O)C1 1722364044 DLKGVJYMKWVAJI-YADHBBJMSA-N 470.643 2.011 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC1(O)CCS(=O)(=O)CC1 1722375923 UYELYPKSHHHSCC-QGZVFWFLSA-N 472.636 2.144 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1722496788 NDQQHBIVHYEORX-HKUYNNGSSA-N 481.022 2.446 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1722508947 VCQZJJUILNJEJY-FAJBIJEISA-N 460.579 2.314 30 10 JEEE C=CCC(C)(C)Cn1c(Cc2ccsc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1722589127 MBCGTAILYIFKHO-UHFFFAOYSA-N 456.616 2.460 30 10 JEEE C=CC[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](S(C)(=O)=O)C1)c1ccccc1 1722595056 SQGCNXZZLLPNCY-WOJBJXKFSA-N 457.600 2.497 30 10 JEEE C=CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@]1(O)CCC[C@H]1C 1722680126 XZJQHDAZXMKCIX-VGOFRKELSA-N 462.620 2.428 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCCC(F)(F)C1 1722680969 DWXIKWWKHDETKC-QZTJIDSGSA-N 491.605 2.465 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1C[C@H](C)OC(C)(C)C1 1722727089 IFQQOXPQGAIEDX-HNNXBMFYSA-N 472.571 2.198 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 1722729392 JMVVKMBBYBBMOM-HXUWFJFHSA-N 487.548 2.394 30 10 JEEE CC(C)(C)OCc1cccc(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C#N)C2)c1 1723010889 GQDLHWYIGZWYND-HXUWFJFHSA-N 452.559 2.493 30 10 JEEE CC(C)COc1cccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@@H](C)C#N)c1 1723487355 DABFIYVFYHKEGZ-GHTZIAJQSA-N 490.630 2.290 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H](c1cccc(C)c1)N1CCOCC1 1727228760 AFEHYUMQNUMKRC-DHIUTWEWSA-N 495.628 2.307 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CCS(=O)(=O)C1 1740655260 CKWACADBODHVGN-UXHICEINSA-N 489.642 2.290 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1([S@@](C)=O)CCC1 1740655555 CXRPZUBFFJSULW-TYFQNXAESA-N 489.642 2.351 30 10 JEEE C#CCN(CC#CC)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1740657070 UANQNFDINHUGSY-LJQANCHMSA-N 464.595 2.095 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@@]2(OC)CCOC2)CC1 1740701553 LILYQFTZQIBOQN-VWLOTQADSA-N 451.571 2.279 30 10 JEEE C#CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1C[C@H](C)O[C@@H](COC)C1 1740716027 IXZPRUYQRDRZEK-ZWKOTPCHSA-N 482.610 2.281 30 10 JEEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CCCN2CCOCC2)CC1 1740875794 KDKCUDBMPHDPKU-NRFANRHFSA-N 465.664 2.475 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)Cc2ccccc2C)CC1 1740958085 ICCOMUKECBLFNR-OAQYLSRUSA-N 466.586 2.022 30 10 JEEE C#CCN(c1nnc(C2CCCC2)n1CCc1cccc(C(=O)NC)c1)[C@@H]1CCS(=O)(=O)C1 1748814418 FQNKCXVNLZJHHT-OAQYLSRUSA-N 469.611 2.165 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CCCc1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 1748818809 GWZYJJIBAFLLBU-SFHVURJKSA-N 488.564 2.140 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CSCCS1 1748959980 COBJMVCVJQZUCE-INIZCTEOSA-N 470.624 2.127 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H](C)CN2CCCC2)CC1 1748979806 NWNDJHSSFASZTC-FQEVSTJZSA-N 452.603 2.449 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@H](CN2CCOCC2)C1 1749114687 FMMAQESGBLTVOQ-SJBKTWHCSA-N 474.650 2.336 30 10 JEEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1749114796 HBPOMKDJFOPFBH-OTWHNJEPSA-N 483.455 2.127 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccccc2OC)nnc1N1CCN(C(=O)NC)CC1 1749139415 FATXZKVPVDRJRK-XMSQKQJNSA-N 470.574 2.308 30 10 JEEE C=CCCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCO[C@H](CNC(C)=O)C1 1749399005 YKFZHPTYJUCKMZ-QGZVFWFLSA-N 451.531 2.292 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCn1cc(Br)cn1 1749574741 DHENZVLOEZRISQ-OAHLLOKOSA-N 469.409 2.408 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC(c3nccs3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1749682088 OGJNNRMNCBGGBF-QFIPXVFZSA-N 460.604 2.461 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 1749731369 CEYJUHOTVLFNTA-HZPDHXFCSA-N 466.526 2.321 30 10 JEEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCOC2(CCOCC2)C1 1760155353 WGPUTNCYWLXIRK-IBGZPJMESA-N 475.590 2.386 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@@H]1CCC[C@@H]1OC)[C@@H]1CCS(=O)(=O)C1 1760180869 MHGMSSRHGXYTAZ-ZVDOUQERSA-N 458.584 2.396 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCCCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1760183722 QRHRPPZDEBNXEL-JOCHJYFZSA-N 477.594 2.429 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1CCCOCC(C)C)[C@H]1CCS(=O)(=O)C1 1760185590 ZVZMQEVNUXNNTG-IBGZPJMESA-N 474.583 2.363 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1C[C@H]1CN(Cc2ccccc2)CCCO1)[C@@H]1CCS(=O)(=O)C1 1760186077 KFDAQZHQIWICJT-DNQXCXABSA-N 499.681 2.394 30 10 JEEE C#CCN(c1nnc(CCOc2ccccc2)n1CCc1cccc(C)n1)[C@@H]1CCS(=O)(=O)C1 1760191522 IWNHUZHHJYMGLJ-JOCHJYFZSA-N 479.606 2.472 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H](CC)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1760192089 QGKXBMJYQWWRJJ-YADHBBJMSA-N 496.637 2.230 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(S(C)(=O)=O)CC1 1760234708 RGRCJXLCAZWHRX-KRWDZBQOSA-N 465.620 2.429 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)CC1 1760255866 BDVLUMFHBPJBRI-NBGIEHNGSA-N 490.649 2.329 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CCS(=O)(=O)CC)CC1 1760266457 ZLXJOIQIULPGFM-NRFANRHFSA-N 471.627 2.221 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCOC2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1760321965 MGMQQWVHWDGJNW-HBFSDRIKSA-N 467.636 2.061 30 10 JEEE C=C(Cl)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1760368625 IFIDBQFPQGOETG-FUHWJXTLSA-N 479.006 2.005 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](COCC)C1 1760412858 SXDVQMNEUFAOSS-MOPGFXCFSA-N 469.652 2.466 30 10 JEEE C=CCN(c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(S(=O)(=O)NC)c1)C1CC1 1760469424 AXYVLVCQZUMIEG-UHFFFAOYSA-N 467.555 2.037 30 10 JEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)cc1OC)C1CC1 1760476712 DRZBQLHARVCLAP-HXUWFJFHSA-N 461.588 2.131 30 10 JEEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1cnccc1OC 1760503343 GJFSTSNMURWZHO-UHFFFAOYSA-N 461.526 2.283 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CC[C@@H](OCCOC)C1 1760519444 DJYZGIPMBXPUJV-OAHLLOKOSA-N 464.364 2.252 30 10 JEEE C=CCS(=O)(=O)CCn1c(CSc2ccccc2OC)nnc1N1CC[C@]2(CCC(=O)N2)C1 1760558498 QKYQIJPFNLOBJB-JOCHJYFZSA-N 491.639 2.039 30 10 JEEE C=CCSCCn1c([C@H]2CCCO2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1760568744 RJQURIISRYXCCU-HMXCVIKNSA-N 462.664 2.428 30 10 JEEE CN(C)c1cccnc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(S(C)(=O)=O)CC1 1766913421 GKYHGMJHEBTPID-UHFFFAOYSA-N 465.583 2.339 30 10 JEEE CN(C)CCOc1ccc(CCn2c([C@@H]3CCC(=O)N3)nnc2N2CCC(C#N)CC2)cc1 1766927892 HJHHNRKXIRSVEP-NRFANRHFSA-N 451.575 2.152 30 10 JEEE CNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCO[C@H](C)C2)CC1 1767837974 FLERIKOFTAEUNI-IEBWSBKVSA-N 453.547 2.005 30 10 JEEE CCS(=O)(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCC[C@@H](C)C2)CC1 1768274701 BUCNIQSHRUVILH-LJQANCHMSA-N 485.658 2.457 30 10 JEEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1ccc([N+](=O)[O-])cc1 1865724730 WKEUXXSGRRURLH-KRWDZBQOSA-N 485.541 2.164 30 10 JEEE C=CCn1cc(OCC(=O)Nc2ccccc2C(=O)OCC)c(=O)cc1CN1CCOCC1 1870391704 WWSPTRQAORNYQE-UHFFFAOYSA-N 455.511 2.061 30 10 JEEE C=CCn1cc(OCc2cnnn2Cc2ccccc2)c(=O)cc1CN1CCN(c2ncccn2)CC1 1870441998 HTBIJEBYGNMMKS-UHFFFAOYSA-N 498.591 2.365 30 10 JEEE CC1(C)OB(c2sccc2CS(=O)(=O)NCCNC(=O)OCc2ccccc2)OC1(C)C 2243415945 FYEQLFLFNXPVJA-UHFFFAOYSA-N 480.417 2.393 30 10 JEEE C[C@H](CNS(=O)(=O)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)NC(=O)OC(C)(C)C 2255795028 RKFDVSCVRHBOHT-OAHLLOKOSA-N 454.398 2.318 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@]2(NS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2255949089 STHOLYYHLCEJAJ-RNODOKPDSA-N 470.422 2.335 30 10 JEEE COC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1nscc1B1OC(C)(C)C(C)(C)O1 2256595557 NCMGBCCNDOTCJY-OCCSQVGLSA-N 455.386 2.159 30 10 JEEE CC(C)=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2256614976 QWXNNUVHWCTGCH-CYBMUJFWSA-N 452.386 2.447 30 10 JEEE CC(C)(C)OC(=O)N1CCC(F)(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CC1 2267142606 WLNZDJFWEGZQTB-UHFFFAOYSA-N 452.336 2.178 30 10 JEEE CN(C[C@H]1COCCN1C(=O)OC(C)(C)C)C(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2267149207 JPASIOKXBLNSND-AWEZNQCLSA-N 467.397 2.150 30 10 JEEE CC(C)(C)OC(=O)N[C@@](C)(CO)CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2267160184 VRKQTOQZVKPJBZ-OAQYLSRUSA-N 469.775 2.040 30 10 JEEE Cn1nc(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)C2CC2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2267192326 PACZOCDNCIRTHI-CYBMUJFWSA-N 468.791 2.406 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2267353597 LVAKGFBTQWMSHD-GASCZTMLSA-N 470.372 2.459 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1F 2267596398 JLHDNZIHPNQWQB-HZPDHXFCSA-N 451.348 2.402 30 10 JEEE C[C@H](CCNC(=O)OC(C)(C)C)NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(O)cc1O 2267759224 LWRZVPWKMNSFOB-CYBMUJFWSA-N 450.341 2.430 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)O 2268645031 SABUKXQHSILTER-SUMWQHHRSA-N 450.341 2.207 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CC(=O)NCc2sccc2B2OC(C)(C)C(C)(C)O2)C1 2268668341 DBVVWTGCNXJFEM-ZBFHGGJFSA-N 466.409 2.281 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N(CC(=O)O)Cc1ccccc1 2269027602 CBKCFYZEDVJYAA-UHFFFAOYSA-N 461.345 2.270 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2CN(C(=O)[C@H]3C[C@H](B4OC(C)(C)C(C)(C)O4)C3)CCN2C1=O 2281951999 QFABEZCIYCAQSX-VQHPVUNQSA-N 463.384 2.195 30 10 JEEE Cn1nc(C(=O)NC[C@H]2N(C(=O)OC(C)(C)C)CCC2(C)C)cc1B1OC(C)(C)C(C)(C)O1 2281969242 KIEQKUFYWYLEQV-MRXNPFEDSA-N 462.400 2.485 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N=[S@@]1(=O)CC[C@H](NC(=O)OC(C)(C)C)C1 2281971380 HPTPZVGTLBJCLU-RPLXOIEJSA-N 482.412 2.107 30 10 JEEE Cn1cc(C(=O)N2[C@H]3CC[C@H]2CN(C(=O)OC(C)(C)C)CC3)nc1B1OC(C)(C)C(C)(C)O1 2282047314 WYUPXIUVAXKOTJ-HOTGVXAUSA-N 460.384 2.333 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC12CC2 2282055822 JTABVCZOCPXCPI-HNNXBMFYSA-N 460.384 2.157 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@](C)(CNC(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)C1 2282057453 HFWCGDREIOAPGY-HSZRJFAPSA-N 461.368 2.137 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 2282177905 JYRAVIQQUMYXLM-NRFANRHFSA-N 453.392 2.345 30 10 JEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CN(Cc3ccccc3)C3(CCC3)C2)n1 2282620671 IEYBYNYVYNZGKK-SFHVURJKSA-N 451.380 2.041 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2[C@H](NC(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)cc3)CO[C@H]2C1 2282665903 DLMWFLAFNDXHDE-OTWHNJEPSA-N 458.364 2.350 30 10 JEEE CC(C)(C)OC(=O)N1CC2(COCCN2C(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282671986 ZIRGGZWSAYCRDN-UHFFFAOYSA-N 458.364 2.448 30 10 JEEE CC(C)(C)OC(=O)N1CC2(C[C@H](O)CN2C(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282714080 MYKYTRYJHLNFEL-SFHVURJKSA-N 458.364 2.182 30 10 JEEE C[C@@H]1CCN(S(=O)(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)C[C@@H]1NC(=O)C(F)(F)F 2282843342 LYHYUCBOAJMNJL-CJNGLKHVSA-N 476.326 2.063 30 10 JEEE COCC1(NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2O)CN(C(=O)OC(C)(C)C)C1 2282883821 GKWMWMFXIDKPKP-UHFFFAOYSA-N 462.352 2.057 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCOC[C@H]1CC(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2283975233 PXFLDQPZLZYNQT-HUUCEWRRSA-N 481.424 2.378 30 10 JEEE C[C@@H](NC(=O)[C@@]1(CO)CCN(C(=O)OC(C)(C)C)C1)c1nscc1B1OC(C)(C)C(C)(C)O1 2284019466 YSFOIEBFHXEILL-PEBXRYMYSA-N 481.424 2.239 30 10 JEEE COC1([C@H](NC(=O)OC(C)(C)C)C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)CCCC1 2284049198 PXUKIJZLFBSAHI-CYBMUJFWSA-N 482.412 2.050 30 10 JEEE CC1(C)OB(c2cc(F)ccc2S(=O)(=O)N[C@H](COCc2ccccc2)C(=O)O)OC1(C)C 2284395115 HYINVDYYJDIDFL-GOSISDBHSA-N 479.335 2.073 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)NCCOCCCNC(=O)OC(C)(C)C 2285196419 KMHLHRPVWAMKPR-UHFFFAOYSA-N 463.384 2.350 30 10 JEEE C#CCN(CC(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)c(OC)c1)C(=O)OC(C)(C)C 2289571405 VCZFTCHYRHGVHP-UHFFFAOYSA-N 458.364 2.481 30 10 JEEE COc1cc([C@@H]2C(=C(O)c3ccc(C)o3)C(=O)C(=O)N2CCN2CCOCC2)cc(OC)c1OC 2296103049 NASHGJLBPWQSGU-OAQYLSRUSA-N 486.521 2.368 30 10 JEEE CCOc1ccc(Cc2nnc(SCC(N)=O)n2N=Cc2ccc3c(c2)OCCO3)cc1 2328565795 FYRNRQNGPOGCBT-UHFFFAOYSA-N 453.524 2.498 30 10 JEEE CC(C)N1C[C@@H](c2nnc(SCCO)n2N=Cc2cc(Br)ccc2O)CC1=O 2329056253 TYBWATXTJAQFON-ZDUSSCGKSA-N 468.377 2.437 30 10 JEEE CC(C)C[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2337291341 FAQYTTGTJDMAPF-OAHLLOKOSA-N 450.389 2.389 30 10 JEEE COc1[nH]c(=NCCCOCCNC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2339784799 HJWKBYYEKZHQGU-UHFFFAOYSA-N 451.373 2.155 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@H]([C@](C)(C(=O)O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C1 2346916292 LSFPQNHDABRHSH-MZLICYQSSA-N 458.559 2.176 30 10 JEEE CCOc1cc(/C=N/Nc2nnc(SCC(=O)NCc3ccc(C)cc3)n2N)ccc1O 21326522 YUCANUIRTFXDDE-WYMPLXKRSA-N 455.544 2.259 30 10 JEEE COc1cc(C(=O)NCC(=O)O[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)cc(OC)c1OC 23400903 FRWMYRVFQKNRAA-GFCCVEGCSA-N 487.534 2.434 30 10 JEEE COc1cc(OC)c([C@H]2/C(=C(/O)c3ccncc3)C(=O)C(=O)N2CCCN(C)C)cc1OC 103107735 JPBZBIXLYVNMLE-AGGMBTAESA-N 455.511 2.481 30 10 JEEE CNCCN1C(=O)[C@@H]2[C@H](c3ccccc3C#N)N[C@](Cc3ccc4ccccc4c3)(C(=O)O)[C@@H]2C1=O 247956839 DBBLPGLIBFRENK-TVQWTUMOSA-N 482.540 2.242 30 10 JEEE C#CCN1C(=O)[C@H]2[C@H](C1=O)[C@@](CC(=O)O)(C(=O)O)N[C@H]2c1ccc(/C=C/c2ccccc2)cc1 247963525 ASBPQLJSSLFDNZ-NBOZCFDRSA-N 458.470 2.034 30 10 JEEE CC1(C)OB(c2cccc3c2CN(S(=O)(=O)CCCN2C(=O)c4ccccc4C2=O)C3)OC1(C)C 713177582 KZORCVWBFUMXJQ-UHFFFAOYSA-N 496.394 2.318 30 10 JEEE C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@H]1CSCN1C(=O)C(C)(C)Oc1ccc(Cl)cc1 730604695 DYDABTXJCALFPR-CZUORRHYSA-N 483.974 2.342 30 10 JEEE C#CCOc1ccc(NC(=O)CS(=O)(=O)CC(=O)Nc2cccc(Br)c2)cc1 730980331 GRCIGRQYHYCGOV-UHFFFAOYSA-N 465.325 2.453 30 10 JEEE COC(=O)c1ccc(C=NNc2nnc(SCC(=O)NCc3cccc(Cl)c3)n2N)cc1 1084074377 VFWAYPFFBAKSEI-UHFFFAOYSA-N 473.946 2.286 30 10 JEEE C=CCC[C@@H](CO)NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(Br)s1 1140627543 XCIYUNSGDSAOFT-STQMWFEESA-N 451.408 2.497 30 10 JEEE C#CCN(C(=O)c1cc(Br)cc(Br)c1O)[C@@H]1CCS(=O)(=O)C1 1142046500 AQQOMGLEGVBVEX-SNVBAGLBSA-N 451.136 2.180 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC=C)Cc1ccccc1F 1286349351 ICYGOXVAFDWCRR-HXUWFJFHSA-N 461.563 2.356 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](c2ccccc2)C[C@H]1C 1286349949 RDVYKHKSPVCHET-NRSPTQNISA-N 457.600 2.407 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1286385235 LQSNWOLCXHISHX-KSZLIROESA-N 462.547 2.363 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H](c1cccc(C)c1)N1CCOCC1 1286415965 SZGXRGQJAGVMOC-SDHOMARFSA-N 477.609 2.457 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@]1(O)CCSC1 1286419050 WDPKTPWDWONICV-QHCPKHFHSA-N 456.568 2.302 30 10 JEEE C#CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC[S@@](=O)C(C)(C)C 1286459449 LVLSWGQRIPWLAA-MGBGTMOVSA-N 494.687 2.180 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCCOc2ccc(OC)cc2)CC1 1286490264 PDSRIJVCKKSQLF-UHFFFAOYSA-N 477.569 2.122 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1286555905 MDEUJPBWSHOIHT-CGXNFDGLSA-N 481.663 2.261 30 10 JEEE C=C(Cl)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](Cn2cccn2)C1 1286630357 SCTBIHFUAUDQSJ-ZWKOTPCHSA-N 493.996 2.441 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1286783065 FMCFNGSTOFUSFB-GOSISDBHSA-N 461.570 2.489 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2CC[C@H](N2CCOCC2)C(F)(F)F)C1 1286808987 FSAZEHNGTKBNDP-KSZLIROESA-N 459.513 2.217 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CC[C@@H](N(C)Cc2ccccc2)C1 1286819934 ABBPMMXYCJGTQT-FGZHOGPDSA-N 473.643 2.484 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCCc2ccccc2)nnc1N1CCOC2(CCOCC2)C1 1286823810 YPFOKLOIWNMHJR-UHFFFAOYSA-N 474.627 2.440 30 10 JEEE C=CCn1c(S)nc2cc(C(=O)NCc3c(C)nc4c(c(O)nn4C)c3C)ccc2c1=O 1293609275 LLKCLAMYNPLUEZ-UHFFFAOYSA-N 450.524 2.405 30 10 JEEE CN(C)C(=O)[C@@H]1CCCN1CCCn1c([C@@H]2CCOC2)nnc1N(C)Cc1ccc(C#N)cc1 1297954280 GMQYRSXFPFOENX-YADHBBJMSA-N 465.602 2.233 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CCN(C)[C@@H](C)CC)c1 1300332267 BCCDOLHNZSRXTA-FXAWDEMLSA-N 451.575 2.016 30 10 JEEE C#CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1C[C@H](OC)[C@H](OC)C1 1300402978 GKVZOHFTBHTRQH-BGYRXZFFSA-N 450.543 2.328 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CC(C)(C)CC=C)[C@@H]1CCS(=O)(=O)C1 1300483578 LZPYYOUHDWXITA-GCJKJVERSA-N 450.605 2.159 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@@H](C)c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1300485061 WJCCTPXIAJSGFO-JLGINSKQSA-N 490.601 2.500 30 10 JEEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1CCCC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1300505300 ZGRRWDFCGDVWQK-SFHVURJKSA-N 494.017 2.006 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCN(c2ccccc2OC)C1 1300651026 ZGFGAYVEUVSDFR-FQEVSTJZSA-N 466.586 2.135 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCn1cc(Br)cn1 1300665773 QMMDAEJDQHRPFS-UHFFFAOYSA-N 487.358 2.462 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)CC(=O)NC(C)C 1300885355 PBDSJYASPRMJFN-IRLDBZIGSA-N 482.633 2.394 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1300990071 SZFNWZXBSLLPIA-HXUWFJFHSA-N 479.647 2.002 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc(-c2cnn(C)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1301399204 IUYUNCCVNRXGPN-OAQYLSRUSA-N 469.615 2.338 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1301483937 YLPCYVATDCCTJZ-LJQANCHMSA-N 480.573 2.314 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)Cc1cnc(C)s1 1301497094 OFAPXFCRRLYAPW-UHFFFAOYSA-N 478.582 2.378 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CC2)C1 1301566150 MWRNXDRJQCTBAQ-LJQANCHMSA-N 457.556 2.087 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1301576582 FHQLGSIKOZKEIL-MRXNPFEDSA-N 496.996 2.379 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1301577830 OJLJJKLHBHVWJB-PXNSSMCTSA-N 480.034 2.356 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCS[C@@H](C)[C@@H]1C 1301584730 CQNWGAQFBSSYMQ-HOTGVXAUSA-N 488.639 2.123 30 10 JEEE C=CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1301602364 YWVYIPRDPRYUSN-LJQANCHMSA-N 488.639 2.370 30 10 JEEE CS(=O)(=O)CC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(F)(F)C2)CC1 1302448764 DXVQDHYENIKPMO-UHFFFAOYSA-N 451.499 2.399 30 10 JEEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCC(C#N)CC3)n2Cc2cccc(C(F)(F)F)c2)C1 1302476767 AKJMGWVRJNAFDO-SFHVURJKSA-N 498.531 2.418 30 10 JEEE CC(C)Cc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC(=O)NCCc1ccccc1 1302946851 HJOOUNZZFLNUGO-UHFFFAOYSA-N 472.597 2.429 30 10 JEEE Cc1cc(C)cc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CC2(N(C)C)CCOCC2)c1 1304181389 CTTPEPYHKDZFSG-NRFANRHFSA-N 454.575 2.314 30 10 JEEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)N2CCC[C@@H](C)C2)CCN1S(C)(=O)=O 1305023356 GQHPCCYMNAFLEU-AQNXPRMDSA-N 485.658 2.407 30 10 JEEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CCCC2)CCO1 1305205042 FMDABPPXCLPPEG-KRWDZBQOSA-N 459.572 2.311 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)C(=O)c2cc(S(=O)(=O)N3CCC[C@@H](C)C3)cn2C)c1 1357823884 SYRXCMDQUQSNHX-QGZVFWFLSA-N 456.568 2.138 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCO[C@@H]1CCOC1 1358885189 FITWLRUYLWGMRF-QZTJIDSGSA-N 450.543 2.328 30 10 JEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(=O)NC2CCCCC2)CC1 1358904975 PPHABNUPAIMWRS-SFHVURJKSA-N 493.678 2.293 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccsc1)N(CC)CC 1358978113 DICXKMCJPFEINJ-UXHICEINSA-N 459.641 2.398 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(COC)CCOCC1 1358991853 QUZMDQZDPZMGIW-UHFFFAOYSA-N 474.565 2.098 30 10 JEEE C#CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(C2CC2)C(=O)C1 1359048600 WLSHJYUUHWIHNV-UHFFFAOYSA-N 473.002 2.039 30 10 JEEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 1359054481 XDNDNCOKUDLSDI-UHFFFAOYSA-N 461.595 2.467 30 10 JEEE C#CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1359058686 MSEDQKJQJBZOCW-UHFFFAOYSA-N 471.602 2.450 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1359090133 VHTPVHWOMQRYFJ-YLJYHZDGSA-N 485.589 2.093 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCN(C(=O)N2CCCC2)CC1 1359090776 GELMIAXKPGHWHK-NJYVYQBISA-N 476.622 2.321 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)c2ccccc2F)CC1 1359132046 LMSGVFIBOVYULU-FQEVSTJZSA-N 470.549 2.314 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1359272530 VZXGXCKKQRLKJP-AZUAARDMSA-N 472.615 2.027 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 1359302470 INFHKVDPRDFGMC-IEBWSBKVSA-N 494.600 2.168 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(C)C)CC1 1359329791 VKOSGDIJIUCHED-UHFFFAOYSA-N 463.604 2.094 30 10 JEEE COc1cc(OC)c(CCn2c(C(=O)NC(C)C)nnc2N2CC[C@@](F)(C#N)C2)c(OC)c1 1504115041 ABYAEWASWQFQQI-JOCHJYFZSA-N 460.510 2.127 30 10 JEEE COc1ccc(Br)c(-c2nnc(N3CC[C@](F)(C#N)C3)n2CC(=O)N2CCOCC2)c1 1504138150 CDLPNTOFMMGPIG-FQEVSTJZSA-N 493.337 2.017 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1507517100 GARNGQFAZFWYIZ-XHOYROJHSA-N 473.597 2.123 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C(F)(F)F)cc1 1507538411 MBYPGCBQDBITMT-YOEHRIQHSA-N 471.505 2.136 30 10 JEEE C#CCCCn1c(COc2cccc(C)c2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1507595960 XJMAXUCIFQQDBQ-UHFFFAOYSA-N 450.587 2.323 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1Cc1oc(CC)nc1C)[C@H]1CCS(=O)(=O)C1 1507626767 HDTKERAPLOOMQP-SFHVURJKSA-N 499.593 2.496 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccc(OCCC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1507633943 VSSOJBNHIZNOAK-PMACEKPBSA-N 488.610 2.254 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H](C)CN(C)C(=O)OC(C)(C)C)CC1 1507719020 JXSUUCVUUBGFSX-CJFMBICVSA-N 490.649 2.188 30 10 JEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N(CC)Cc1nc(O)c2ccccc2n1 1507753993 SUMSEFZFAWBBDC-UHFFFAOYSA-N 465.583 2.442 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](c2ccco2)N(CC)CC)CC1 1507883817 ADFTUMFPWOYDDR-CTNGQTDRSA-N 492.646 2.444 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1508072918 LLXIBKOGMLKDGI-GOSISDBHSA-N 483.598 2.041 30 10 JEEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](c2cccc(F)c2)C1 1508089045 ADNMQYRZHPLXBD-GOSISDBHSA-N 484.557 2.289 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1508136923 JCJHCAGLKREETA-MSOLQXFVSA-N 463.991 2.447 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(OCc2ccccc2)CC1 1508139772 DPPCCHGKNSEYOG-FQEVSTJZSA-N 473.599 2.016 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1508140035 GBDUGCWMBLNEJE-UHFFFAOYSA-N 452.625 2.167 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC[C@H](CN2CCCC[C@@H]2C)C1 1508141498 VUEYUZBPEXVBHR-VQTJNVASSA-N 473.647 2.427 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1508144612 QVXOBHPVWVPDBO-SFHVURJKSA-N 499.559 2.283 30 10 JEEE C[C@@H]1OCC[C@]1(O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC(C#N)CC1 1512573197 BTLNQMNCSQUVNI-NYHFZMIOSA-N 458.950 2.141 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(CN2CCOCC2)c1 1539291348 PFCUYANYKHMVGT-UHFFFAOYSA-N 483.576 2.269 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1C[C@]1(C)CN(C2CC2)C1=O 1539400191 AAOGBWZBSMTPNY-NRFANRHFSA-N 475.391 2.143 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCCN(CC(C)C)C2)CC1 1539428438 RJOLSFCTQLQIMC-OAQYLSRUSA-N 464.618 2.049 30 10 JEEE C=C1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CCN(C)CCCOC)CC1 1539841841 BJDWIBRIGCVUNJ-UHFFFAOYSA-N 461.636 2.363 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](c2ccnn2C)C1 1539916221 IJXVVWWKDAQBIN-UYAOXDASSA-N 491.662 2.331 30 10 JEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CCC(C)CC2)CC1 1540004779 GNSGTKLFUHZXNB-XVAXZDLZSA-N 480.679 2.278 30 10 JEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](CC)[C@H]2CN(Cc3ccccc3)CCO2)c1 1545373015 ULZJZZSEUVKTHS-DHIUTWEWSA-N 455.580 2.008 30 10 JEEE C#C[C@H](NC(=O)N1CCN(c2nccn3cnnc23)[C@H](C)C1)c1ccc(Br)cc1 1565000121 TVCYUCRTNAEXJI-PBHICJAKSA-N 454.332 2.481 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1587557044 YKLKMFWBHDHHPI-QZTJIDSGSA-N 460.542 2.052 30 10 JEEE C#CCCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CC[C@@H](C(=O)OC)C1 1587782921 DNJZKOZBZAWKPN-JOCHJYFZSA-N 464.614 2.446 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1CCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1588040191 JDCDMBORTAGAMM-KRWDZBQOSA-N 465.982 2.460 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC1(N(C)C)CCCCC1)[C@H]1CCS(=O)(=O)C1 1588069041 FWBJCXIBHMWVSR-NRFANRHFSA-N 487.674 2.031 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccnc1OCC(F)F 1588078086 AQUHAYXXHZAMGL-UHFFFAOYSA-N 451.437 2.085 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccccc1Cn1cccn1 1588079192 RQKBDMFMHQGSHG-UHFFFAOYSA-N 450.506 2.291 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1cccc(OC)c1)N1CCCC1 1588139159 MRPADJGBTMFQJS-FYYLOGMGSA-N 481.622 2.099 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(OC)CCC(C)CC1 1589216662 UMHUHLZTLYWSMC-QCIGJDEGSA-N 479.647 2.198 30 10 JEEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1594627237 SPYVPQHTHZJVIN-LJQANCHMSA-N 459.620 2.270 30 10 JEEE C=CCn1c(N2CCN(C(=O)[C@H]3CCCO3)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1595453533 YZUKEUCUXLAVIR-FGTMMUONSA-N 460.579 2.062 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1595551545 RPQQHJGBMLOMRP-QFBILLFUSA-N 484.557 2.196 30 10 JEEE C=CCOc1ccc(Cn2c(COCC)nnc2N2CCN(c3cnn(C)c3)C(=O)C2)cc1 1595639892 NRVREGDMKMYUDF-UHFFFAOYSA-N 451.531 2.014 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccc(NC(=O)OC)c2)C1 1595722926 OZWWHHZSTYNQGV-HKUYNNGSSA-N 475.571 2.188 30 10 JEEE C=C(C)C[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1)C(=O)OCC 1598350190 HXHUHTULUUAFKQ-YJBOKZPZSA-N 453.517 2.010 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1C[C@H](C)N(C)C1CC1 1609508692 DYLDDBZSHZPRRX-UWJYYQICSA-N 451.575 2.349 30 10 JEEE CC(C)NC(=O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@](F)(C#N)C1 1610076651 AZSWMKIOSVJIEG-KSFYIVLOSA-N 463.558 2.359 30 10 JEEE C=C(C)Cn1c(SCC(=O)NC2CCN([C@@H]3CCN(C)C3=O)CC2)nnc1-c1ccco1 1623643599 KININVLZISGLOL-QGZVFWFLSA-N 458.588 2.018 30 10 JEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](O)CS(=O)(=O)c1cccs1 1631272337 LCZGWGBUJWVOCN-QWHCGFSZSA-N 452.982 2.035 30 10 JEEE C=CCn1c(SCC(=O)N2CCC(C(=O)NCCC(C)C)CC2)nnc1-c1cnccn1 1640974760 FJJJZDTVWLPFKS-UHFFFAOYSA-N 457.604 2.414 30 10 JEEE C=C(C)C[C@H](NS(=O)(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1Cl)C(=O)OC 1665501514 WQQZCILLJOZGHW-HNNXBMFYSA-N 452.982 2.157 30 10 JEEE C#CCCCn1c(N2CCN(CC(=O)Nc3ccccc3)CC2)nnc1[C@@]1(OCC)CCOC1 1689940802 DEUNRIDGCRCMNY-RUZDIDTESA-N 466.586 2.104 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1Cc1ccccc1COC)[C@@H]1CCS(=O)(=O)C1 1689994154 SGNOJOXBGQIHBR-OAQYLSRUSA-N 485.635 2.455 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(COC)CCC1 1690020087 YJUOJXNEBJICHQ-IBGZPJMESA-N 457.575 2.476 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H]2CCC[C@@H](O)C2)CC1 1690110518 PGQMDKRPUQPCDR-TZIWHRDSSA-N 471.005 2.168 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)CCNS(C)(=O)=O 1690239579 YNEGUGUWJJPYBC-XJKSGUPXSA-N 487.424 2.002 30 10 JEEE C=C(C)COCCn1c(N(C)[C@H]2CCS(=O)(=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1690320152 LLLPWWWGEJHMBG-KSZLIROESA-N 483.635 2.265 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1690344678 WZKQIVIVEYTSRY-WOJBJXKFSA-N 453.031 2.156 30 10 JEEE C=CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1690640820 IPKYPQPBJXDCHM-INIZCTEOSA-N 456.572 2.264 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 1690658988 GJRLMWLIZBPVSI-CTNGQTDRSA-N 465.602 2.021 30 10 JEEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(OC(C)(C)C)CC1 1690669034 RIFWDJJALAIBEQ-UHFFFAOYSA-N 489.646 2.324 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H]1c1ccccc1OC 1690714645 QMUXTMUFMGMMGO-GOSISDBHSA-N 461.588 2.367 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)c2ccco2)CC1 1690717516 INDMHQCIIGFPHX-UHFFFAOYSA-N 485.566 2.110 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N(C)[C@H](C)c1cccc(N2CCOC2=O)c1 1690722491 LFPAMULIVBQMSV-QGZVFWFLSA-N 497.581 2.490 30 10 JEEE C#CCN(c1nnc(COCC)n1C[C@@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1705568652 SLLMYLUOKMHIAT-IPMKNSEASA-N 495.646 2.087 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H](c1cccs1)N(C)C 1705576677 OPKWRGFQGASLKN-HXUWFJFHSA-N 457.567 2.358 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCN1CCCO[C@@H](C)C1 1705591057 DSQMJWLJAJPFAC-NRFANRHFSA-N 483.638 2.312 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2CCN(CCC)CC2)CC1 1705634208 NEKAVOQCMLGMGI-UHFFFAOYSA-N 484.670 2.226 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CCC(=O)N[C@@H](C)CC)CC1 1705634366 SNOMHGWLEJVYQT-IBGZPJMESA-N 460.586 2.395 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccccc3Br)n2CCCN2CCC(O)CC2)CC1 1705637403 VUVRGNWEAAIHNQ-UHFFFAOYSA-N 487.446 2.310 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2CCCN2C[C@@H](C)O[C@H](C)C2)CC1 1705645773 DSGXGTTYSXOLOS-NHCUHLMSSA-N 464.614 2.410 30 10 JEEE C#CCSCCn1c(CCc2ccc(OC)cc2)nnc1N1CCN(c2cnn(C)c2)CC1 1705663322 CYTNBYGDBVEIIP-UHFFFAOYSA-N 465.627 2.498 30 10 JEEE C=C(C)COCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1705736471 TWKJLXFSGONGIL-KRWDZBQOSA-N 458.588 2.489 30 10 JEEE C=CCCCn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1705821006 HSDQWKZHQNSSME-UHFFFAOYSA-N 450.547 2.287 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@H](C)O[C@H](CC)C1 1705894889 NPKMVYWXHJREAI-MAUKXSAKSA-N 460.966 2.167 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC(Cn2cncn2)CC1 1705906710 MMLHWPAMCPOKGO-UHFFFAOYSA-N 470.965 2.321 30 10 JEEE CN(C)C1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCCN(S(C)(=O)=O)CC2)CCCC1 1711000958 CGKITZWDMWUMGB-UHFFFAOYSA-N 471.631 2.163 30 10 JEEE C#CCN(c1nnc(-c2cnn(-c3ccccc3)c2)n1CCOCC(F)F)[C@H]1CCS(=O)(=O)C1 1722362744 VZPLIMOXOOCXMN-IBGZPJMESA-N 490.536 2.039 30 10 JEEE C#CCN(CCOC)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1Cc1nnn(C)n1 1722420378 GJNPBADIAWDFGO-INIZCTEOSA-N 458.954 2.346 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1CC[C@H](CO)O1 1722429847 WWVAGEUMMJMIDD-HSALFYBXSA-N 477.606 2.019 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@]2(O)CCO[C@@H]2C)CC1 1722433926 JAMQCKGXECNUPC-IIBYNOLFSA-N 460.376 2.003 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](OC(C)C)c2ccccc2OC)CC1 1722437984 XRIQFQRFPUBZQB-RBBKRZOGSA-N 466.586 2.159 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccc2C)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1722497510 XCDPMUDPZWJJSJ-RBBKRZOGSA-N 480.613 2.408 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(C)C)CC1 1722506258 DSCKTGIBEVKUBT-ACRUOGEOSA-N 481.663 2.465 30 10 JEEE C=C(C)COCCn1c(-c2ccccc2C)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1722531985 YNVUHIRLLYKTKH-UHFFFAOYSA-N 499.641 2.399 30 10 JEEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1722558903 CLTKAUBDDGOCBD-YJBOKZPZSA-N 463.926 2.384 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cn(CCCC)nc2C)CC1 1722566587 VDJCPWSRGQAWDB-FQEVSTJZSA-N 477.635 2.121 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(c2ccc(F)cc2)CC1 1722725625 PIUDTVRHFXOWSM-UHFFFAOYSA-N 456.547 2.407 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1CC(C)(C)N1CCOCC1 1740632185 HIUFKQBEPYXHOL-UHFFFAOYSA-N 459.392 2.230 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccccc2OC)n1CC1(NC(=O)OC(C)(C)C)COC1 1740636379 YMRAUWZSHYPSCL-UHFFFAOYSA-N 451.527 2.320 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccsc1Br 1740640086 IHJJUMOYOUEFDJ-AWEZNQCLSA-N 453.387 2.125 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCc2cnn(C)c2)CC1 1740701923 SJTIIPSZYSUPPM-UHFFFAOYSA-N 456.554 2.149 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H]2CCOC[C@H]2OC)CC1 1740707364 ZIMVJZOSINFLLY-IFMALSPDSA-N 469.561 2.025 30 10 JEEE C=CC1CCN(c2nnc(Cc3ccncc3)n2CCS(=O)(=O)N2CCSCC2)CC1 1740840715 JQUFGNMESFENKE-UHFFFAOYSA-N 462.645 2.045 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nccnc2C)CC1 1740850616 IATDUWHXUPRDPY-GOSISDBHSA-N 459.620 2.208 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(N2CCNC2=O)CC1 1740957021 YUQUHDWLABILRU-UHFFFAOYSA-N 461.929 2.034 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H]2CC[C@@H]21 1740959961 HYFDUTFGTMDOMC-SQNIBIBYSA-N 460.579 2.268 30 10 JEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](c2nc(CC)cs2)C1 1740994053 IDCSWGOLZHIQDE-KRWDZBQOSA-N 492.671 2.404 30 10 JEEE Cc1cc(C)n(C[C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCC(=O)NC(C)C)CCO2)n1 1742719515 DADNWBKGOLXCQL-JOCHJYFZSA-N 476.585 2.450 30 10 JEEE CC[C@@H](C)NC(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1743893497 AIOCUZNGGOTLJM-DENIHFKCSA-N 492.628 2.118 30 10 JEEE CNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCN(C(C)C)CC2)C1 1748170659 BKAQNLYILBEEFA-OAQYLSRUSA-N 465.602 2.014 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc(C)o3)n2CCCn2cc(CO)nn2)c1 1748692464 XGLHSIFEDCDHLP-UHFFFAOYSA-N 474.525 2.077 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)o2)n1Cc1cccnc1OCC)[C@H]1CCS(=O)(=O)C1 1748809842 WPWRQHWRAGRYBH-SFHVURJKSA-N 455.540 2.315 30 10 JEEE C#CCN(CC)c1nnc(-c2cc(Br)cn2C)n1C[C@H]1CCCCS1(=O)=O 1748912968 MWGVZYXWSQIGGY-OAHLLOKOSA-N 454.394 2.473 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CC2CCC(F)(F)CC2)CC1 1749001006 DSLSDRDSEIONIS-UHFFFAOYSA-N 450.534 2.208 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCN2CCCC(C)(C)C2)CC1 1749003822 XCCYXZDNJQQFPL-SANMLTNESA-N 486.661 2.018 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCn2cc(C)cn2)CC1 1749006591 TVSLFGFWPDAPDW-UHFFFAOYSA-N 477.569 2.133 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2C[C@@H]2CCCCO2)CC1 1749015883 QRDHTUNZKCYKPX-QFIPXVFZSA-N 451.571 2.435 30 10 JEEE C#CCSCCn1c(N2CCO[C@H](Cn3nc(C)cc3C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1749049756 QIDWUAXXURXYNA-XUZZJYLKSA-N 488.658 2.404 30 10 JEEE C=C(Br)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1749090389 NZZQELWPTCZVHQ-IBGZPJMESA-N 480.388 2.116 30 10 JEEE C=C(Br)Cn1c(N2CCN3C(=O)CC[C@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1749112411 HQEUBPSMHGYYLD-HNAYVOBHSA-N 454.369 2.038 30 10 JEEE C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1749175010 LVLTXDBEEYLXQN-ZDUSSCGKSA-N 457.398 2.092 30 10 JEEE C=C(Cl)Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1749253463 OTFTYUOYGLIHMX-CYBMUJFWSA-N 477.816 2.317 30 10 JEEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1749630225 QRTFOLQNLWORIT-JPYJTQIMSA-N 473.578 2.258 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CC)CC(C)C 1749670532 UVYKEEJNHNJCLP-QGZVFWFLSA-N 450.584 2.371 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Br)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1749703893 QZLIMQJCZUDQDT-QRWLVFNGSA-N 497.415 2.039 30 10 JEEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC1(O)CCS(=O)(=O)CC1 1751276164 FXWHATZKNBSOED-HMFYCAOWSA-N 479.647 2.266 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1CCN(C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1760180225 ANCXRGWYMARMLX-QGZVFWFLSA-N 497.463 2.013 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1ccc(OCC=C)cc1)[C@H]1CCS(=O)(=O)C1 1760188842 QKOQFJGCUNJCKD-RTWAWAEBSA-N 470.595 2.412 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1CCCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1760191002 YZILDPKTFOGZFO-NRFANRHFSA-N 482.610 2.099 30 10 JEEE C#CCN(c1nnc(CC2CCCC2)n1CCCN1CCCCCC1=O)[C@H]1CCS(=O)(=O)C1 1760191556 JMLMNNHSWBTHQJ-NRFANRHFSA-N 475.659 2.430 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CC1=CCCOC1)[C@H]1CCS(=O)(=O)C1 1760191905 OLRWEMSMBIJRJB-FQEVSTJZSA-N 456.568 2.139 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(F)cc2Br)n1Cc1cn(C2COC2)nn1 1760199440 YWZQYPYDZJIEHM-UHFFFAOYSA-N 470.306 2.131 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCN1CCN(C(C)=O)CC1 1760233793 FMFSTJDWMQNMQM-OAQYLSRUSA-N 487.649 2.016 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CCOC[C@H]1OC 1760253975 ZVGZEHTVSSICED-VNTMZGSJSA-N 477.606 2.186 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2C[C@@]2(O)CCO[C@H]2C)CC1 1760254277 SIOBHYSONKOTLK-RLSLOFABSA-N 469.586 2.112 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@@]2(O)CCO[C@H]2C)CC1 1760264179 DYGYFGNWXJVUKG-AOMKIAJQSA-N 480.396 2.459 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1760406888 ORXKENRFBCRMIB-CQSZACIVSA-N 494.584 2.386 30 10 JEEE C=CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1760440632 NOWCNGOOUIEVFC-HXOBKFHXSA-N 460.579 2.412 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC1(C)C 1760501064 GBLAPMLHMZIMDH-HKUYNNGSSA-N 463.604 2.485 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](OC)[C@H](OC)C1 1760532549 YGKJINRLJBDYIQ-BGYRXZFFSA-N 464.526 2.389 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC(=O)NC(C)C)C1 1760548012 WITSDBYHFWYISY-FGTMMUONSA-N 462.595 2.355 30 10 JEEE C=CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCCN(CCC)C(=O)C1 1760561790 MJHBSGNLKHHRJR-UHFFFAOYSA-N 467.603 2.289 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(C)cc1O[C@H]1CCOC1 1764187139 FJLXBKGXOMZGKK-LEWJYISDSA-N 482.585 2.450 30 10 JEEE CCC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(c3cccc(F)c3C#N)CC2)CC1 1764398571 BNQREVFHCGCKOS-INIZCTEOSA-N 475.594 2.416 30 10 JEEE CSCC[C@H](NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1)C(=O)N1CCOCC1 1868782149 DSQCNMGVBGFRBE-ROUUACIJSA-N 450.630 2.121 30 10 JEEE Cc1ccc(C)c(-n2nnc(C#N)c2NC(=O)CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1 1870155327 HMRWTTIZSGWBCR-UHFFFAOYSA-N 459.422 2.289 30 10 JEEE C=CCn1cc(OCC(=O)NCc2ccco2)c(=O)cc1CN(CCO)Cc1ccccc1 1870537875 UJRANVYCAFARRN-UHFFFAOYSA-N 451.523 2.317 30 10 JEEE CCN1CCN(CC#CCOC2CCN(C(=O)[C@H]3CC(=O)N(c4cc(C)ccc4C)C3)CC2)CC1 1889528102 HKOYFAUAPHWJRF-DEOSSOPVSA-N 480.653 2.305 30 10 JEEE COc1ccc(C(=O)N2CCC(OCC#CCN3CCN(C(C)C)CC3)CC2)cc1[N+](=O)[O-] 1891098360 SHAMUEJGMZBXKK-UHFFFAOYSA-N 458.559 2.254 30 10 JEEE CC(=O)Nc1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)N2CC[C@H](Oc3cc(C#N)ccn3)C2)cc1 1891176831 YOMQMBSQSYLVSX-UNMCSNQZSA-N 497.577 2.135 30 10 JEEE COCCCn1c(C(=O)N2CCC[C@@H](Oc3nccnc3C#N)C2)cc2c(=O)n3ccccc3nc21 1891771775 LVMLMZXETUQOGR-QGZVFWFLSA-N 487.520 2.031 30 10 JEEE C=CCNC(=O)C[S@@](=O)CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1990668277 KSVZWUPWUBDSGO-PPGPUPIYSA-N 470.547 2.419 30 10 JEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](NC(=O)OC(C)(C)C)CC[C@@H]1C(=O)O 2068508697 DRHFQBAPDSDXKP-HRCADAONSA-N 453.536 2.262 30 10 JEEE CC(C)(C)OC(=O)N1CC(O)([C@H](F)C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2124538265 HTCANLZNZKFOCJ-MRXNPFEDSA-N 450.316 2.244 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](O)CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2255611490 UPLSYDNLHZXFCC-LSDHHAIUSA-N 452.382 2.147 30 10 JEEE CN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1)[C@H]1CC[C@@H]1NC(=O)OCc1ccccc1 2255613620 DGMOTAAOUNLIGK-HKUYNNGSSA-N 468.363 2.249 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]1NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2267354879 XFQKBHVRXQHEGI-CVEARBPZSA-N 470.372 2.459 30 10 JEEE CC1(C)OB(c2scnc2C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)OC1(C)C 2267475040 FGDYLEAQOIXBOV-GOSISDBHSA-N 457.405 2.463 30 10 JEEE CCN(CCCNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nn(C)c1C)C(=O)OC(C)(C)C 2267528244 CNGJENGLWCJKIW-UHFFFAOYSA-N 450.389 2.405 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CC(N)=O)C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccc1Cl 2268631818 CUHPGUVBAFBXSA-OAHLLOKOSA-N 467.759 2.346 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(CNC(=O)[C@H]2C[C@H](O)CN2C(=O)OC(C)(C)C)s1 2268632470 KTCDBLHTUQIMLG-GOEBONIOSA-N 466.409 2.342 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](O)CN1C(=O)c1cc(F)ccc1B1OC(C)(C)C(C)(C)O1 2281761528 AZTLMRQPGAQUGH-JKSUJKDBSA-N 464.343 2.225 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCCOCCNC(=O)OC(C)(C)C)c1 2281824224 JQYZYXHBMHSFFM-UHFFFAOYSA-N 464.368 2.266 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC(C)(C)C1 2282038447 IWOZEANJSMKIMU-HNNXBMFYSA-N 462.400 2.485 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2C[C@H](NC(=O)OC(C)(C)C)C23CCC3)n1 2282051153 RQNKCHKGORSGMS-CVEARBPZSA-N 460.384 2.285 30 10 JEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CCNC(=O)[C@H]2C[C@H](B3OC(C)(C)C(C)(C)O3)C2)C1 2282062476 YYUYBQDLERGYNB-BRWVUGGUSA-N 486.440 2.399 30 10 JEEE Cn1ncc(C(=O)NC2[C@H]3CC[C@H]2CN(Cc2ccccc2)C3)c1B1OC(C)(C)C(C)(C)O1 2282067986 XCSZADNMUHZTEY-OALUTQOASA-N 450.392 2.360 30 10 JEEE C[C@H]1[C@@H](NC(=O)C(F)(F)F)[C@H](C)CCN1C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2282178327 FIGXZERUKCCEHK-WWGRRREGSA-N 455.286 2.298 30 10 JEEE CC(C)(C)OC(=O)NCC1(O)CCN(C(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)CC1 2282178987 JTNPXIYUMOYNJR-UHFFFAOYSA-N 460.380 2.478 30 10 JEEE CN(Cc1nc(NC(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)n[nH]1)C(=O)OC(C)(C)C 2282182173 PHPOGQFIAINLRP-UHFFFAOYSA-N 458.328 2.118 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@H]2NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2282317243 OGTRXRATYNGKQY-SKDZVZGDSA-N 482.383 2.411 30 10 JEEE Cc1nn(C)c(C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)c1B1OC(C)(C)C(C)(C)O1 2282558193 GODACUIMEBVKED-HOCLYGCPSA-N 462.400 2.403 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCCC12CN(C(=O)OC(C)(C)C)C2 2282586750 CLHLMKBILKWYFM-UHFFFAOYSA-N 460.384 2.253 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@]12C[C@@H]1CN(C(=O)OC(C)(C)C)C2 2282586847 DYBWQSIQLIXOPO-IQMFZBJNSA-N 460.384 2.015 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@H]2NS(=O)(=O)Cc1ccccc1B1OC(C)(C)C(C)(C)O1 2282834765 XQKZXOQOFPKFMY-NEWSRXKRSA-N 478.420 2.413 30 10 JEEE Cc1sc(C)c(S(=O)(=O)N(Cc2ccccc2)CC2(O)CNC2)c1B1OC(C)(C)C(C)(C)O1 2282843980 VXKLJVJCATXLSC-UHFFFAOYSA-N 492.472 2.189 30 10 JEEE C[C@@H]1CCN(S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CCN1Cc1ccccc1 2282854721 VHVCUCACKNYZMA-GOSISDBHSA-N 474.436 2.004 30 10 JEEE C[C@@H]1CN(S(=O)(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)CC[C@H]1NC(=O)C(F)(F)F 2282868564 PBWUMVZICHYHKF-UKRRQHHQSA-N 476.326 2.063 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)CC[C@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2284060395 MIHGQENSVIBKDT-HOCLYGCPSA-N 465.331 2.219 30 10 JEEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCC(NC(=O)C(F)(F)F)CC3)c(Cl)c2)OC1(C)C 2286120050 IUDOCYMTBCAWRP-UHFFFAOYSA-N 496.744 2.471 30 10 JEEE COc1cc(OC)c(OC)cc1C=Nn1c(SCCO)nnc1[C@@H]1CC(=O)N(C(C)(C)C)C1 2327906561 CIUYZJSIGQIAST-OAHLLOKOSA-N 477.587 2.385 30 10 JEEE CO[C@@H](CNC(=O)OC(C)(C)C)CNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2339877928 FZTWPJQQAFUPAE-OAHLLOKOSA-N 452.332 2.394 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CC[C@H]1N(S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1)C2 2359276228 AXFJJKIEXCBSRC-FVQBIDKESA-N 499.464 2.260 30 10 JEEE COC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)Oc1ccc(B2OC(C)(C)C(C)(C)O2)c(OC)n1 2365379367 IEVHOCXYPCUGDN-BBRMVZONSA-N 466.340 2.223 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](CNC(=O)c2ccsc2B2OC(C)(C)C(C)(C)O2)N2CC[C@H]1C2 2368742613 NORGPPUQCDJXDE-HOTGVXAUSA-N 477.436 2.471 30 10 JEEE N#C[C@H]1C(=O)Nc2nc(NCc3ccc4c(c3)OCCO4)[nH]c(=O)c2[C@H]1c1ccc([N+](=O)[O-])cc1 72472510 IDAQJRQJYBTPJA-QAPCUYQASA-N 474.433 2.285 30 10 JEEE CCN1C(=O)[C@]2(/C(=C(/O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCOC)c2ccccc21 102579587 OWISIZRLLOGWEG-LOMRAVHASA-N 464.474 2.047 30 10 JEEE COCCCN1C(=O)C(=O)/C(=C(\O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@H]1c1cccc(O)c1 103224339 BIMKDNDBUOUUQR-GOBJLOIFSA-N 474.535 2.101 30 10 JEEE COC(=O)c1[nH]c(C)c(/C(O)=C2/C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(OC)cc2)c1C 103228223 ZKSAJAQWEMSEFF-HWCXCKHPSA-N 455.511 2.410 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1CNc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 204868933 RROVCIJUMMIXDQ-RDJZCZTQSA-N 475.399 2.092 30 10 JEEE C[C@H]1C[C@H]2[C@@H]3CC[C@](OC(=O)CCC(=O)O)(C(=O)C=O)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12 605693806 OYKDZPXWGCPHIW-XYMSELFBSA-N 472.534 2.426 30 10 JEEE in-vitro CCCN(CC(=O)Nc1ccccc1C)C(=O)CN1CCN(S(=O)(=O)c2ccccc2C#N)CC1 610705489 ZXEXPXBSYZNWID-UHFFFAOYSA-N 497.621 2.050 30 10 JEEE CCC(CC)C(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccc(C(N)=O)cc1 729672280 GSWRNHCSYDTPGW-UHFFFAOYSA-N 485.569 2.154 30 10 JEEE COc1cc(C=NNc2nnc(SCC(=O)Nc3ccc(C)cc3C)n2N)cc([N+](=O)[O-])c1O 1084538145 ZOHZOYSGSAECDG-UHFFFAOYSA-N 486.514 2.408 30 10 JEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCCN(CCCc2ccccc2)CC1 1136529579 GOARRTJPOHIRCR-HXUWFJFHSA-N 454.596 2.392 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)NCc2ccccc2CN2CCC(O)CC2)[C@H](C#N)C1 1223208107 HSAKFSHEHAUMQV-TZIWHRDSSA-N 457.575 2.202 30 10 JEEE C#CCOc1ccc(C(=O)N2CCN(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)CC2)cc1 1279984658 HSJCXBNVKFEDQS-UHFFFAOYSA-N 456.543 2.129 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCC[C@H](O)C1)[C@H]1CCS(=O)(=O)C1 1286387559 GKJFVHRSUWOQBA-NJAFHUGGSA-N 463.991 2.171 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CCCOC1CCCC1)[C@H]1CCS(=O)(=O)C1 1286391357 CRWZFPPGXYJKDI-FQEVSTJZSA-N 457.600 2.240 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCCN(CC(C)C)C1)[C@H]1CCS(=O)(=O)C1 1286395062 QQZVMTYWPITYPO-BDTNDASRSA-N 477.675 2.167 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1286559938 ZREDLFCNSAQOID-BKSPAHHJSA-N 481.645 2.282 30 10 JEEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1286612908 MCSZJEZAVVONCH-UHFFFAOYSA-N 461.574 2.326 30 10 JEEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1 1286619474 AYDVSHCZYMUAEG-QRQLOZEOSA-N 465.023 2.209 30 10 JEEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@H](Cn2cccn2)C1 1286692591 KIWDHAXNCGXJFC-FQEVSTJZSA-N 485.614 2.264 30 10 JEEE C=CCCOCCn1c(-c2cccnc2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1286711373 NOSJELSFDFANHL-FQEVSTJZSA-N 453.591 2.066 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC[C@H](CNC(=O)c2ccccc2)C1 1286790045 ZHCSIWMDGVBAOM-HXUWFJFHSA-N 473.581 2.213 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1286792035 KOXXDDFEXNHQCH-NQIIRXRSSA-N 489.020 2.360 30 10 JEEE C[C@@H]1CCCN1CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C#N)C1 1291135378 AOFWEZDALOGQCE-APWZRJJASA-N 457.966 2.075 30 10 JEEE CCc1nn(C)c(CC)c1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC#N)CC1 1292766924 HTHFTFUYJZJHRS-QGZVFWFLSA-N 459.620 2.217 30 10 JEEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](c2nc(C)no2)C1 1297695195 CNQJKZWCAMMROG-SFHVURJKSA-N 455.544 2.327 30 10 JEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CCN(CCC)C1 1300511584 AHXYNRGKUTXMRG-HXUWFJFHSA-N 467.643 2.351 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccc(Br)cc2)n1Cc1ccc(C(N)=O)nc1 1300547746 BYBUWXXODULKTP-UHFFFAOYSA-N 479.338 2.235 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2CCN2CC=CCC2)CC1 1300684860 BPQQETPBVVLYJS-UHFFFAOYSA-N 458.408 2.063 30 10 JEEE C#CCN1CCN(c2nnc(-c3sc(-c4ccccc4)nc3C)n2CCNS(=O)(=O)CC)CC1 1300686051 WVJMTRPRZRDKJX-UHFFFAOYSA-N 499.666 2.072 30 10 JEEE C#CCN1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CCSCC(C)C)CC1 1300696012 RBERLVFWQPYYPF-UHFFFAOYSA-N 475.688 2.383 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H]2CCO[C@H](C)C2)CC1 1300700063 LGSOKRBKLIIMGE-HKBOAZHASA-N 488.633 2.157 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CCCN2CCC(C)CC2)CC1 1300726168 ICRIHBHBKVRKFV-UHFFFAOYSA-N 463.630 2.352 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCC)CCC 1300885338 OXQAXLCJHQSSRD-QRVBRYPASA-N 455.625 2.219 30 10 JEEE CC(C)(C)S(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1302313032 GLEGNSUAISVHMQ-VQTJNVASSA-N 473.599 2.414 30 10 JEEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C)c2ccc(S(C)(=O)=O)c(OC)c2)cc1 1305781730 MKDVFFMTBYFRLP-CQSZACIVSA-N 452.554 2.054 30 10 JEEE CCCNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1313476291 FTWSMSSWPHTQSG-IBGZPJMESA-N 453.547 2.448 30 10 JEEE COCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1315760241 BZQRHFRFFFALKP-UHFFFAOYSA-N 453.591 2.283 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCN1CCN(C)C(C)(C)C1 1358876971 UOMBTVVUSYDXHX-SFHVURJKSA-N 470.618 2.455 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1OCC(C)C 1358890744 VCOMEUUNFTYGTD-GHTZIAJQSA-N 475.615 2.152 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)c1ccc(C)cc1 1358994853 XQSFMUQJMYZSRC-IRLDBZIGSA-N 469.611 2.186 30 10 JEEE C#CCN1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCCCCS(C)(=O)=O)CC1 1359034576 WOSOFZZLXFSNDF-UHFFFAOYSA-N 481.626 2.101 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2CC[C@H](C(F)F)N2CCOCC2)CC1 1359037310 FCLRCLCAGDAYGO-LJQANCHMSA-N 464.586 2.042 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCOc2ncccc2F)CC1 1359039983 DDDYQALYIJWJRP-KDURUIRLSA-N 499.591 2.417 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2ccc(-n3nc(C)cc3C)nc2)CC1 1359047306 AFNXOCIEXRPUKU-UHFFFAOYSA-N 476.585 2.026 30 10 JEEE C=C(C)Cn1c(-c2cccc(C)n2)nnc1N1C[C@@H]2[C@H](C1)[C@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1359120520 FIADFOLQWWWXJX-BHIYHBOVSA-N 488.614 2.351 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCc2c(F)cc(F)cc2[C@H]1C 1359326923 NBNSPHKBTUPMIK-CQSZACIVSA-N 467.542 2.419 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)(C)C)n2C[C@H]2CCCN2S(C)(=O)=O)c1 1507550861 QZLDSXXMTOCSIB-HXUWFJFHSA-N 486.642 2.347 30 10 JEEE C#CCCCCn1c(-c2cc(Br)cn2C)nnc1N1CCCN(S(C)(=O)=O)CC1 1507555336 MUXXTKJGDUWMDF-UHFFFAOYSA-N 483.436 2.321 30 10 JEEE C#CCCCCn1c(Cc2ccsc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1507565312 BJVQBRHGGPWLND-UHFFFAOYSA-N 454.600 2.005 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H](CC)Oc1ccccc1F)[C@H]1CCS(=O)(=O)C1 1507622337 FDSUSEFCVJJKTJ-ZWKOTPCHSA-N 491.589 2.040 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCCN1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1507634970 OTTZJCXHKDCUHL-OAQYLSRUSA-N 490.699 2.383 30 10 JEEE C#CCN(c1nnc(CCCc2ccccc2)n1CC1(O)CCCC1)[C@H]1CCS(=O)(=O)C1 1507641250 ZWAFFOZCIPLBFX-NRFANRHFSA-N 456.612 2.385 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(OC)c2)n1CC1(CS(C)(=O)=O)CC1 1507664225 IBLIAEOVZWKSEL-UHFFFAOYSA-N 456.568 2.250 30 10 JEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](c2ccccc2)O[C@H](C)C1 1507746072 KEZHYKKJQLBYHR-ZIFCJYIRSA-N 463.629 2.221 30 10 JEEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C(C)C)CC1 1507748546 ORCSYSKLNXVGKC-UHFFFAOYSA-N 476.672 2.092 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CCC(N2CCNC2=O)CC1 1508079404 UPYRUXHIROYWPI-UHFFFAOYSA-N 488.390 2.004 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1508085795 JFHPAKQJITZAPK-UHFFFAOYSA-N 495.049 2.075 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC(C)(NC(=O)OC(C)(C)C)CC2)nnc1[C@]1(OCC)CCOC1 1508098000 MTDHCAPKRZTDAP-DEOSSOPVSA-N 492.621 2.116 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(Cc2cccc(F)c2)CC1 1508136460 HCDBSXWQTKIANS-UHFFFAOYSA-N 458.563 2.335 30 10 JEEE CCCOc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC2(O)CCOCC2)cc1OC 1515144367 HATXQWUCSLOXNS-SFHVURJKSA-N 457.531 2.013 30 10 JEEE CNS(=O)(=O)CCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCC(CC#N)CC1 1517624889 GALNBFBCFNFSON-UHFFFAOYSA-N 476.603 2.420 30 10 JEEE CS(=O)(=O)[C@@H]1CCCCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)CC2CC2)C1 1519506708 CSYKGQTXKVXHHX-HXUWFJFHSA-N 491.639 2.045 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N(CC)C(=O)OC(C)(C)C 1539015996 SCKXLHGGHPWQCR-BRWVUGGUSA-N 453.609 2.284 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cn3nc(C)cc3C)n2Cc2cc(C)nn2C)c1 1539046693 YKFCVZMLDMOTJG-UHFFFAOYSA-N 471.569 2.286 30 10 JEEE C#CCN(c1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1ncn(C)n1)[C@H]1CCS(=O)(=O)C1 1539210232 ABPQKUPHHLNCDE-IBGZPJMESA-N 467.599 2.046 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1CCN(CC)C1CC1)[C@H]1CCS(=O)(=O)C1 1539219390 JLRGNZSIXUJKEI-QFIPXVFZSA-N 455.628 2.288 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H](C)COc1ccccc1OC)[C@@H]1CCS(=O)(=O)C1 1539219794 FMHFFHKOLDETFE-XUVXKRRUSA-N 488.610 2.132 30 10 JEEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(COC)CC1 1539509962 BNOYFARQAGJFIU-UHFFFAOYSA-N 452.584 2.421 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@]1(C)OCCc2sccc21 1539538106 CGSCTLFUZMJDGV-IWMITWMQSA-N 463.629 2.430 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 1539611949 FPYPEPDIKQVJGA-VJBWXMMDSA-N 482.629 2.253 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCCN1CCC 1539669812 VBDBCGJFSHRHIR-VQTJNVASSA-N 468.668 2.278 30 10 JEEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCO[C@@H](C(C)(C)C)C1 1540864305 VTVAXTSWDAUWSQ-QGZVFWFLSA-N 489.646 2.100 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2csc(CC)n2)C1 1540891907 BJBPJVVZCFUORD-WBVHZDCISA-N 451.618 2.223 30 10 JEEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCO[C@@H](c2ccc(F)c(F)c2)C1 1540909098 XPNOLWRXYBREPE-GOSISDBHSA-N 456.515 2.272 30 10 JEEE COc1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)cn1 1554931314 ASVUXCMJOBIUJH-IBGZPJMESA-N 452.540 2.282 30 10 JEEE COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCO[C@@H]2C(C)C)CC1 1555200777 GQZGAINNGBCZHK-RBBKRZOGSA-N 452.559 2.173 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)cc1C(F)(F)F 1587641063 WXKJFTFMDUMUAH-SUMWQHHRSA-N 489.495 2.275 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cc(Br)c[nH]3)n2CCC(=O)NC)c1 1587690028 XFDQCFLPJOASEX-UHFFFAOYSA-N 484.358 2.228 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1588030294 SCGICSXAZZANMQ-QHAWAJNXSA-N 488.610 2.077 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1Cc1cc(COC(C)(C)C)on1)[C@@H]1CCS(=O)(=O)C1 1588045468 LMDSNUXLDAVVRY-GOSISDBHSA-N 486.598 2.262 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCCOc2ccc(F)cc2)CC1 1588929491 BFSQDSRWBHSEBE-LJQANCHMSA-N 455.534 2.356 30 10 JEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1588968713 PIJUUSWWPSDTRT-SJORKVTESA-N 462.620 2.230 30 10 JEEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1589089730 XNBPPLFVMVZZBD-UHFFFAOYSA-N 482.701 2.251 30 10 JEEE C#CCSCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1589116079 CTQCLMAIMZOYKV-UHFFFAOYSA-N 482.610 2.361 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC(C(=O)N2CCCC2)CC1 1595467441 UOSWBNOZIVTDBY-UHFFFAOYSA-N 493.612 2.288 30 10 JEEE C=CCOc1ccc(Cn2c(-c3noc4c3COCC4)nnc2N(C)C[C@H](C)C(=O)NC)cc1 1595613688 GXMRGFVXKGQRRB-INIZCTEOSA-N 466.542 2.437 30 10 JEEE C=CCSCCn1c(-c2ccccn2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1595866544 ONHRDZCXFSBZLG-QGZVFWFLSA-N 450.634 2.367 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1Cc1nccc(C(F)F)n1 1611664355 CHMFGYLYPGZUGW-ZDUSSCGKSA-N 476.513 2.172 30 10 JEEE CS(=O)(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCCO2)C1 1620172416 DIKJJXWXVTWBNE-QUCCMNQESA-N 458.588 2.151 30 10 JEEE C=C(C)C[C@H](NS(=O)(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1)C(=O)OCC 1622506373 KUBJXNIVIJIGFA-SFHVURJKSA-N 458.602 2.346 30 10 JEEE N#Cc1ccc(C(F)(F)F)n(CC(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)c1=O 1652170441 DJEHOAOQBDXJOM-CYBMUJFWSA-N 459.471 2.016 30 10 JEEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)C[C@@H]1CCN(C(=O)OCc2ccccc2)C1 1664903916 NLTLHVYPCWCSBT-LJQANCHMSA-N 450.557 2.252 30 10 JEEE COc1cc(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)ccc1S(=O)(=O)N(C)C 1675540395 AFFFXWJMLYTWSC-UHFFFAOYSA-N 459.572 2.413 30 10 JEEE C#CCCCCn1c([C@@H]2CCOC2)nnc1N1C[C@@H](C(=O)OC)[C@H](CNC(=O)OC(C)(C)C)C1 1689893236 WLVUFAFOQXHQTR-GUDVDZBRSA-N 475.590 2.336 30 10 JEEE C#CCN(C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1689955383 FKESNJSYPIASEO-PXNSSMCTSA-N 473.599 2.236 30 10 JEEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1CN1CCCCC1 1690059627 UHOZJFQZIXVCNJ-LJQANCHMSA-N 458.632 2.382 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC[C@H]2C[C@H](F)C2)CC1 1690136638 HWIXUAHVXUEDIY-SAABIXHNSA-N 453.522 2.029 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(OC)c(OCC)c(OC)c1 1690190421 UHCOIPLIIQLNTO-QMHKHESXSA-N 491.614 2.345 30 10 JEEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(N2CCCC2)CCOCC1 1690518449 KCPOIFAPJVLCEX-UHFFFAOYSA-N 488.658 2.463 30 10 JEEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1690632744 NZXOPYZZWOCPBZ-GOSISDBHSA-N 460.604 2.122 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(Cc2cc(C)no2)CC1 1690662009 OHDIEODURFKAKP-UHFFFAOYSA-N 487.511 2.467 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1690666768 GARYIXFFSUDDAF-KRWDZBQOSA-N 451.531 2.406 30 10 JEEE C=CCOc1ccccc1Cn1c(CN2CCCC2=O)nnc1N1CCC(N(C)C(C)=O)CC1 1690683224 DZJXIAFLOLKBJD-UHFFFAOYSA-N 466.586 2.461 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1690717872 SNWRILCHETUTOA-MJGOQNOKSA-N 486.598 2.176 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(CC)CC)n2C[C@@H]2NC(=O)CC2(C)C)c1 1705504230 QLFNWTZILUNQBC-FQEVSTJZSA-N 493.612 2.167 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](CC)N2CCCC2)c1 1705505563 QIRGRVPEJIRGGS-NHCUHLMSSA-N 463.586 2.160 30 10 JEEE C#CCN(CC#C)c1nnc(C2(c3ccccc3)CCC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1705574521 GGEIXGZYZBUQCL-HXUWFJFHSA-N 451.596 2.102 30 10 JEEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccccc1CN1CC[C@H](O)C1 1705590390 JWNMSRRZADIJIY-IGKIAQTJSA-N 477.609 2.008 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2CCN2CCC[C@H]2C)CC1 1705634314 REKHVUPQAWNXCH-QGZVFWFLSA-N 460.424 2.286 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCCOC)CC1 1705648138 OLSZVSSLDCUBFM-FQEVSTJZSA-N 488.633 2.395 30 10 JEEE C=C(Br)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CCCS(C)(=O)=O 1705684578 VWGDFKMOLRHTSR-UHFFFAOYSA-N 491.433 2.128 30 10 JEEE C=C(C)COCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@]2(CCOC2)C1 1705737064 JGEYZLAYRWWCLI-CYFREDJKSA-N 493.605 2.175 30 10 JEEE C=C(Cl)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1705755750 HGEKMMWAIKOWDH-CYBMUJFWSA-N 462.892 2.432 30 10 JEEE C=CCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1705787248 MCVLRBHNEOLIMN-KRWDZBQOSA-N 456.595 2.416 30 10 JEEE C=CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C(=O)OC)C1)c1ccccc1 1705795489 LAYXFSBSOCUNQW-BHIYHBOVSA-N 461.588 2.248 30 10 JEEE CC(C)C(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1708152554 FTUHFDACQHSYLO-IRXDYDNUSA-N 451.579 2.288 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CCCc1cccc(C)n1)[C@@H]1CCS(=O)(=O)C1 1722366046 OFNWMCWVRJUMJV-JOCHJYFZSA-N 464.595 2.227 30 10 JEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCCN(C(C)C)C1 1722378613 GEQIMMGUTWCLAB-FQEVSTJZSA-N 467.643 2.431 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H]2CCCN2CC)CC1 1722442779 BYLMLFHIXBJKDI-HXUWFJFHSA-N 480.613 2.412 30 10 JEEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN(CC(=O)Nc2cccc(C)c2C)CC1 1722457644 IJDARZOMVCNJOC-UHFFFAOYSA-N 490.637 2.479 30 10 JEEE C=C(C)CN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1722517709 MVPCNVGBBRXRHH-IBGZPJMESA-N 488.662 2.136 30 10 JEEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1ccc(C)o1 1722538318 WUVHLDKVJZDCFY-ICSRJNTNSA-N 479.603 2.447 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1722689280 QZHFOCZVEXXOQY-ZJOUEHCJSA-N 486.592 2.406 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N(C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 1722692154 FYSHVBIEYRJWSD-FPOVZHCZSA-N 467.618 2.208 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1722700001 SFPPMWIHCBCRLZ-MRXNPFEDSA-N 484.992 2.399 30 10 JEEE C=CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1722734715 IUERASWIYNNINA-GHTZIAJQSA-N 491.683 2.425 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](c1cccs1)N1CCCC1 1722862993 GKCRTPPFIYBGHF-BRWVUGGUSA-N 465.649 2.383 30 10 JEEE Cc1cc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(N(C)S(C)(=O)=O)CC2)no1 1724216503 DHTDPPINSFMZII-UHFFFAOYSA-N 455.544 2.022 30 10 JEEE CNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2(S(C)(=O)=O)CCCC2)C1 1729657682 AKYHCOQTNOADJV-IBGZPJMESA-N 470.599 2.137 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@@H](C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 1740619832 LQMQNVQXOJWYDV-FPOVZHCZSA-N 471.627 2.312 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1[C@H](C)CCN1C(=O)OC(C)(C)C 1740671287 CULWISGNDFPVHY-KURKYZTESA-N 465.620 2.285 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2cccc(C(=O)N(C)C)c2)CC1 1740691664 AKUGTKZYHISZSX-UHFFFAOYSA-N 463.973 2.499 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1740953674 NPIWQECOLVEUTR-PBHICJAKSA-N 463.380 2.354 30 10 JEEE C=CCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCN(C(=O)OCC)CC2)cc1 1740967110 XARRYEHLWKDYJP-LJQANCHMSA-N 454.531 2.121 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(Cl)cc2)C1 1740981021 NKRSHBFCOHHDRZ-RTBURBONSA-N 482.006 2.094 30 10 JEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 1741003219 PRRUJAWRAJIYJC-KRWDZBQOSA-N 495.696 2.432 30 10 JEEE Cc1nn(C)c(C)c1CN(C)c1nnc(-c2cccc(C#N)c2)n1CC(=O)NCC(F)(F)F 1742652406 GGQVWKDFMVUNFS-UHFFFAOYSA-N 460.464 2.482 30 10 JEEE CCCNC(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)N2CCOCC2)C1 1745769146 DEJZCWMQLPNGIC-IRLDBZIGSA-N 495.628 2.192 30 10 JEEE CCN(CC)C(=O)CCCn1c(C2CCC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1746037741 BAPSHAHUZVILNE-UHFFFAOYSA-N 467.622 2.434 30 10 JEEE C#CCCCCn1c(Cc2ccccn2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1748721854 OYWRJCVMKAGONM-UHFFFAOYSA-N 462.558 2.125 30 10 JEEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(OCCCN(C)C)cc1 1748784649 DVFNSIRWWXMBDD-UHFFFAOYSA-N 450.543 2.454 30 10 JEEE C#CCN(c1nnc(-c2ccc(Br)cc2)n1CC[S@](=O)CC)[C@H]1CCS(=O)(=O)C1 1748809468 TYQZDCGTMAGQKH-YMGMXPECSA-N 499.456 2.103 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@H](C)N1CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1748819666 RECLEMVGDBEAOW-RZUBCFFCSA-N 470.643 2.011 30 10 JEEE C#CCN(CCOC)c1nnc(Cc2ccccn2)n1Cc1ccc(N2CCOCC2)c(F)c1 1748965361 QGWIFRVRXXBKDJ-UHFFFAOYSA-N 464.545 2.374 30 10 JEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccc(C(=O)NCCC)c2)CC1 1749329114 GOGVEIZYQPSPEK-KRWDZBQOSA-N 474.631 2.479 30 10 JEEE N#Cc1ccc(OCc2nnc(N3CC[C@H](C(N)=O)C3)n2CC2CCN(CC(F)(F)F)CC2)cc1 1750383848 FEIWJODTJLOKNY-SFHVURJKSA-N 491.518 2.315 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2C[C@@H]2CN(CC(C)C)CCO2)c1 1760125119 FPWOMZXNVHWOIG-QFIPXVFZSA-N 488.596 2.148 30 10 JEEE C#CCCCCn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1760133470 FOEDSTCCRCNKAK-OAQYLSRUSA-N 478.597 2.321 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1Cc1ccc(OC(C)C)nc1)[C@@H]1CCS(=O)(=O)C1 1760185395 WOZBSLRUVUQDMR-LJQANCHMSA-N 468.583 2.141 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnn(C)c2)n1C[C@H]1CCCCS1(=O)=O 1760240933 ILKSZXVVTPHXKY-HXUWFJFHSA-N 456.547 2.425 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CCN2CCC[C@H](C)C2)CC1 1760255187 VTTFGWQLRQPENZ-FQEVSTJZSA-N 482.629 2.458 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3ccc4ccccc43)n2CCCC(=O)N(C)C)CC1 1760271172 OIWLRUXKOLXFOF-UHFFFAOYSA-N 475.597 2.115 30 10 JEEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCCS1(=O)=O 1760463660 LFTBOWQCCRXUFF-SJORKVTESA-N 469.608 2.176 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1760514788 FLXRQDGRMHRMFG-GOSISDBHSA-N 486.374 2.112 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 1760521316 PSHCVEJVJWLIQQ-CHWSQXEVSA-N 483.520 2.391 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1760524531 AAFRDTMCJDKVDO-OAQYLSRUSA-N 465.602 2.062 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](C)Oc2ccc(OC)cc2)C1 1760541671 GFIGRVSMNVXJFB-LVCYWYKZSA-N 476.599 2.438 30 10 JEEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1760558815 BCQWWIRGFJQJGO-UHFFFAOYSA-N 475.582 2.438 30 10 JEEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 1760564214 SJWGRHJPKAAPCP-PMACEKPBSA-N 484.674 2.471 30 10 JEEE CC[C@@H](C)c1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1C[C@]1(O)CCS(=O)(=O)C1 1763744546 CPRIZGVPAQHCKC-OPAMFIHVSA-N 493.033 2.193 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCOC2)n1CCN1CCOC[C@H]1C 1769818694 CDRBEEAULRQJSD-KNQAVFIVSA-N 454.575 2.027 30 10 JEEE N#C[C@@]1(F)CCN(c2nnc(CN3CCCC3=O)n2Cc2cccnc2OCC(F)(F)F)C1 1770730824 FIECNCUHONPXNH-IBGZPJMESA-N 467.427 2.227 30 10 JEEE N#Cc1ccc(-c2nnc(N3CCC(CCCO)CC3)n2CC(=O)NCC(F)(F)F)cc1 1770732485 BNKMQJQZZDXVOP-UHFFFAOYSA-N 450.465 2.484 30 10 JEEE O=CC1CCN(C(=O)[C@H](CCOc2ccccc2)N2CCN(C(=O)c3ccco3)CC2)CC1 1860616647 KAZMULRZWSDKEU-QFIPXVFZSA-N 453.539 2.313 30 10 JEEE COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2CCCNC=O)cc1 1862644700 RACCRMYZMIJRLO-FQEVSTJZSA-N 470.453 2.335 30 10 JEEE COc1cc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2C[C@H](C)O)cc(OC)c1O 1862742347 CCLXPNUVNPTNGY-BBATYDOGSA-N 458.423 2.277 30 10 JEEE CC(=O)Nc1ccc(S(=O)(=O)CCC(=O)NC(C)(C)C(=O)Nc2ccccc2C#N)cc1 1866808620 YVVNQYVJALGNTH-UHFFFAOYSA-N 456.524 2.214 30 10 JEEE CC(C)(C)c1ccc(S(=O)(=O)CCC(=O)N[C@H](CO)C(=O)Nc2ccccc2C#N)cc1 1866810361 VIHZZKCXFAQAGZ-HXUWFJFHSA-N 457.552 2.135 30 10 JEEE C=CCN(CC=C)C(=O)[C@@H](CCCC)NC(=O)c1ccc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)cc1 1868641283 COCOJALPUPPWFW-LEWJYISDSA-N 496.651 2.137 30 10 JEEE CCN(CC)CCNC(=O)c1ccc(-n2nnc(C#N)c2NC(=O)c2ccc(OC)cc2)cc1 1870137458 OFVVZIVYSIKUQG-UHFFFAOYSA-N 461.526 2.471 30 10 JEEE C=CCn1c(C(=O)N2CCN(C(=O)OCC)CC2)cc2c(N3CCC(N(C)C)CC3)ncnc21 1873562089 MIAKYNVUZNCUJN-UHFFFAOYSA-N 469.590 2.062 30 10 JEEE C=C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1nn(C)c(Cl)c1I 1986049681 VIOFSEASNOIZRX-MRVPVSSYSA-N 454.696 2.374 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NC[C@H]2C[C@H](OC)CN2C(=O)OC(C)(C)C)C1 2255196757 KPCPSWLFRPPWKP-YOPALGQTSA-N 451.564 2.434 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2255833565 FIKKJSHSXLPIFZ-CABCVRRESA-N 452.382 2.147 30 10 JEEE CC(C)(C)OC(=O)NCC[C@H]1CN(C(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)CCO1 2266994696 YDRXSZABRPTWGJ-AWEZNQCLSA-N 467.397 2.198 30 10 JEEE CC(C)(C)OC(=O)N1CC([C@@H]2CCCN(C(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)C2)C1 2281930446 LUUKALUUDQUHPG-OAHLLOKOSA-N 460.384 2.428 30 10 JEEE CN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1)[C@H](CNC(=O)OC(C)(C)C)C(F)(F)F 2281975171 JATLYXMFOAMAQJ-CYBMUJFWSA-N 476.305 2.247 30 10 JEEE CCc1nc(C(=O)N[C@H]2COCCN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2282018254 VDYCFMFZBQLHIW-CQSZACIVSA-N 481.424 2.370 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C12CC2 2282020909 FMHVGEBCYPHFFE-OAHLLOKOSA-N 458.368 2.295 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC3(CCCN(C(=O)OC(C)(C)C)C3)C2)n1 2282033629 WMBWOMFXNMLCBS-UHFFFAOYSA-N 460.384 2.192 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1[C@H]2CC[C@H]1[C@H](CNC(=O)OC(C)(C)C)C2 2282537945 YJAJZDILXFUDDF-ZOBUZTSGSA-N 460.384 2.237 30 10 JEEE Cc1nn(C)c(C(=O)NC2CC(CCNC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2282558088 FCPVBMIHEQXOHY-UHFFFAOYSA-N 462.400 2.451 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)CCCO1 2282670055 ZUCUZWPFFKUEBA-INIZCTEOSA-N 461.368 2.137 30 10 JEEE C[C@H]1CC[C@@H](CNC(=O)C(F)(F)F)N(C(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282674161 GUHCKDZQJFSOBT-BBRMVZONSA-N 455.286 2.300 30 10 JEEE CCO[C@@H]1C[C@H](NC(=O)OC(C)(C)C)[C@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn1C 2282681475 XAWVLTMZAFLSLV-CGTJXYLNSA-N 463.384 2.125 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CC12CCC2 2283055098 CYOXIOMPNIADCI-OAHLLOKOSA-N 458.368 2.295 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2COC[C@]2(C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2284020448 MBOVRDHVTKNNKM-IQMFZBJNSA-N 459.352 2.203 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CCC(N)=O)C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)c1F 2284053777 SSBWMZBWKYXNIW-OAHLLOKOSA-N 465.331 2.222 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1)[C@H](O)C(F)(F)F 2284060781 RLSUYBKNJBRJJS-KGLIPLIRSA-N 475.273 2.136 30 10 JEEE Cc1c(B2OC(C)(C)C(C)(C)O2)cccc1C(=O)N(C)CC1(O)CN(C(=O)OC(C)(C)C)C1 2287303407 LOLFWBGDZFNUJF-UHFFFAOYSA-N 460.380 2.348 30 10 JEEE CC1(C)OB(c2sncc2C(=O)N[C@@H]2COCCN(C(=O)OCc3ccccc3)C2)OC1(C)C 2315685684 XGPHVAZLWBLUFA-KRWDZBQOSA-N 487.387 2.210 30 10 JEEE CC(=O)NCc1nnc(SCC(=O)Nc2ccc(C)cc2)n1N=Cc1ccc(O)c(O)c1 2330740708 JDOCMPICMCNEAO-UHFFFAOYSA-N 454.512 2.247 30 10 JEEE C[C@@H](NC(=O)[C@@H]1C[C@H](O)CCN1C(=O)OC(C)(C)C)c1nscc1B1OC(C)(C)C(C)(C)O1 2359385602 VQWUNYKKOJRICW-FMKPAKJESA-N 481.424 2.380 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@]12C[C@@H](CNC(=O)OC(C)(C)C)C2 2362335472 LCGXNZQBBPZJDH-CWSKOGRWSA-N 460.384 2.239 30 10 JEEE CO[C@](C)(CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nc(C)n1C)COCc1ccccc1 2362437827 JCLSNCYQDCDRMS-XMMPIXPASA-N 457.380 2.379 30 10 JEEE C#CCOC[C@@H](O)CN(CCN1CCOCC1)Cc1c(-c2ccccc2)noc1N(C)C(C)C 36248947 NDKBYPQXSYIFDH-QHCPKHFHSA-N 470.614 2.331 30 10 JEEE COc1cc([C@@H]2c3c(nc(N4CCC[C@@H](C)C4)[nH]c3=O)NC(=O)[C@@H]2C#N)cc(OC)c1OC 72444995 QBLNWRKQHMITLI-MRRJBJDNSA-N 453.499 2.256 30 10 JEEE COc1ccc([C@@H]2/C(=C(/O)c3c(C)nn(C)c3C)C(=O)C(=O)N2CCCN(C)C)cc1OC 102752014 JQWMQYXDQDLNJN-SADKCHQCSA-N 456.543 2.428 30 10 JEEE Cc1nc2c(C)cccn2c1/C(O)=C1/C(=O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccncc1 103113765 QQNDJIVIIRCNFT-DQVIVYRFSA-N 461.522 2.100 30 10 JEEE N#C[C@@H]1C(=O)Nc2[nH]c(N3CCc4ccccc4C3)nc(=O)c2[C@@H]1c1ccc2c(c1)OCCO2 203598906 HNBBYKWIAJLEEB-FXAWDEMLSA-N 455.474 2.328 30 10 JEEE C[C@@]12CCC(=O)C=C1CC[C@H]1[C@H]2C(=O)C[C@]2(C)[C@@H]1CC[C@@]2(O)C(=O)COC(=O)CCC(=O)O 503938981 WVSVAJGDZIWYBX-MWXHZAIISA-N 460.523 2.406 30 10 JEEE C#CCN(C1CCN(C(=O)OCC)CC1)S(=O)(=O)c1cc(N2CCCC2=O)ccc1OC 586152949 BBHZSQFMERCMAJ-UHFFFAOYSA-N 463.556 2.067 30 10 JEEE COc1cccc(/C(O)=C(/C(=S)N=C2C=CC(=C(N)O)C=C2)n2ccc(=[N+](C)C)cc2)n1 811724847 SYWGOJRDMXOASJ-UHFFFAOYSA-O 450.544 2.430 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)O[C@@H](C)C(=O)c3ccc(NS(C)(=O)=O)cc3)cc2C1=O 916416272 VIPXXPJRGSOUFZ-ZDUSSCGKSA-N 456.476 2.268 30 10 JEEE C#CCN(C(=O)NCc1c(F)c(F)c(Br)c(F)c1F)[C@@H]1CCS(=O)(=O)C1 1230303616 BYKZFPHXECJNEQ-MRVPVSSYSA-N 457.243 2.337 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(C)(C)N1CCOCC1 1286295614 JRRBAESJOLFBAC-RBUKOAKNSA-N 476.622 2.155 30 10 JEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 1286348897 AYLQBZWOOIQSMJ-MSOLQXFVSA-N 465.620 2.335 30 10 JEEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CC[C@H]1C[C@H](F)C1)[C@H]1CCS(=O)(=O)C1 1286380257 BKMPLEXGVXZTND-ZVVDCOBXSA-N 468.595 2.084 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC2CCCC2)cc1 1286448121 PTWZABJKUPWDDP-QFIPXVFZSA-N 487.626 2.440 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H](c2cccc(F)c2)N(C)C)CC1 1286485637 SCNOFXVGOLAWGH-PMVMPFDFSA-N 470.593 2.199 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2Cc2ccc(OC)cc2OC)CC1 1286491101 FNGBLGWLTIJYKX-UHFFFAOYSA-N 474.565 2.295 30 10 JEEE C#CCSCCn1c(-c2ccccc2C)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1286503780 JHNBWRCEXSWZNC-UHFFFAOYSA-N 499.666 2.173 30 10 JEEE C#CCSCCn1c(N2CCN(C(=O)c3ccc(O)cc3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1286513582 WZSXTEFHFOWINU-VWLOTQADSA-N 499.637 2.353 30 10 JEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCSC(F)(F)F)C1CC1 1286738596 XSRGRVKBLFRMHX-CYBMUJFWSA-N 455.528 2.019 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(=O)N2CCCC2)n1CCN1CCOC[C@@H]1C 1286739163 RFACTQIUSQWVSJ-FQEVSTJZSA-N 468.602 2.436 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 1286820656 OTTOWRXQHOKQMM-OALUTQOASA-N 481.663 2.499 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(CC2CCCCC2)CC1 1286820846 TUWGXGGPSSNHJJ-NRFANRHFSA-N 465.664 2.475 30 10 JEEE CC(=O)N1CC[C@H](CN(C)c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CC(F)(F)CO2)C1 1286851746 WPQLGRGHQMFOGU-UYAOXDASSA-N 474.512 2.458 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@H](Cn2c(CN3CCCC3=O)nnc2N2CC[C@](F)(C#N)C2)C1 1287051521 CYLLHHZPLYCNHY-SBUREZEXSA-N 475.569 2.490 30 10 JEEE CC(C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1287100215 FOQCCSIFVLQCSA-HNNXBMFYSA-N 466.464 2.004 30 10 JEEE CC(C)NC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1288247643 DQTJGILNIPDIQA-GOSISDBHSA-N 483.573 2.357 30 10 JEEE CCCC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)NC(C)C)C1 1293740857 BABDPQLETNUYMH-HXUWFJFHSA-N 487.630 2.030 30 10 JEEE CCC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1)OC 1293957237 BQMKMJXHWCDLHO-GCJKJVERSA-N 465.602 2.421 30 10 JEEE C#CCCCNC(=O)c1ccc(S(=O)(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 1297473215 AUZOQWPWCCXBLR-UHFFFAOYSA-N 452.536 2.428 30 10 JEEE N#Cc1ncn(-c2ccccc2NC(=O)CNS(=O)(=O)c2cccc(C(F)(F)F)c2)n1 1298915399 BFXLFTLRKBGEJW-UHFFFAOYSA-N 450.402 2.075 30 10 JEEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(C(=O)NCCC)CC1 1300403430 LFAWACZGGZKMGG-UHFFFAOYSA-N 461.570 2.348 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1CCCc1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 1300487675 LBPFOPJKIRQWIW-HXUWFJFHSA-N 452.584 2.247 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1Cc1ncnn1C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1300498406 KAYOPQFKOYQLMM-IBGZPJMESA-N 485.589 2.030 30 10 JEEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1CCC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1300504358 MPMGWGRKKHJYTR-QGZVFWFLSA-N 466.991 2.298 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(C(F)(F)F)cc1C 1300653591 NOUGYTYZZCSWTC-OAHLLOKOSA-N 473.521 2.350 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(OC)c(Cl)c2)CC1 1300681725 ABVLBMBZVGTHNI-UHFFFAOYSA-N 465.945 2.391 30 10 JEEE C#CCSCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1300740935 IEHWRJCMSWHPID-IRXDYDNUSA-N 458.563 2.480 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(O)(c2ccccc2)CC1 1300761729 FAIGHVODWPYEMZ-GOSISDBHSA-N 460.625 2.035 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCOCC1CCOCC1 1300805823 JABIYVFDHAGYGH-SIKLNZKXSA-N 450.605 2.006 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 1300990604 LOHAWWVXMZEEFL-SFHVURJKSA-N 493.655 2.105 30 10 JEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccc(C(=O)NCC)c2)CC1 1301105493 KFINZRBLMNRPNP-MRXNPFEDSA-N 460.604 2.089 30 10 JEEE C=CC[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1)c1ccccc1 1301165135 ZRQPACPWBWJVIU-BVOGOJNSSA-N 486.642 2.305 30 10 JEEE C=CCn1c(COc2ccccc2OC)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1301472803 OMYWPJMFAUCNDX-UHFFFAOYSA-N 465.558 2.432 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCCC[C@@H](COC)C1 1301497629 ZHTMCLWKYGFMIS-GOSISDBHSA-N 479.585 2.230 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1301593922 XUTFZGCTZDNSBK-FPOVZHCZSA-N 471.583 2.335 30 10 JEEE CO[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@@H]2C1)C(C)(C)C 1315226727 DXBHTKZRUASZAM-PKOBYXMFSA-N 454.531 2.431 30 10 JEEE C#CCCCCn1c([C@H]2CCOC2)nnc1N1CCCN(Cc2nc([C@H](C)OC)no2)CC1 1358912546 SVZINMVLMDNKJX-OALUTQOASA-N 457.579 2.388 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1CCOC(C)C)[C@@H]1CCS(=O)(=O)C1 1358960110 XIRMBRZRXJZPPQ-GOSISDBHSA-N 462.572 2.014 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1c(C)sc(C)c1Br 1358969757 WBSRLVHWISJZQC-GFCCVEGCSA-N 484.445 2.450 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H]2CCCSC2)CC1 1359036430 WMCZTCKCJNMHQY-UXHICEINSA-N 490.674 2.485 30 10 JEEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1359051076 LHMJZVYOLNZIDV-LJQANCHMSA-N 489.667 2.458 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1359330015 CXFFPIXIVSSKBB-IBGZPJMESA-N 497.625 2.252 30 10 JEEE CC(C)N(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1360097354 FAFUKFDDSMZKHB-UHFFFAOYSA-N 459.620 2.065 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CCN1CCC[C@@H]1C 1360237526 HQRZZLWUOXRWNH-SFHVURJKSA-N 468.581 2.238 30 10 JEEE C=C(C)C[C@@H](CO)NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(Br)s1 1471536277 QUFNITKADZKVOQ-STQMWFEESA-N 451.408 2.497 30 10 JEEE CCCn1nc(-c2nnc(N(C)[C@@H](C)CC#N)n2CC(=O)NCC2CC2)c2ccccc2c1=O 1501065546 CZKSPEQECQHSBJ-INIZCTEOSA-N 462.558 2.330 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H](c1ccc(CC)cc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1507630675 FHORWWYAGKSIFU-GOTSBHOMSA-N 495.653 2.171 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC2(COC)CCOCC2)CC1 1507717681 FKFBMPQPLSTMTJ-UHFFFAOYSA-N 477.407 2.234 30 10 JEEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1507757565 ZZYZOHQZIQCKQX-OAQYLSRUSA-N 451.600 2.349 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@](C)(O)c1cccc(Cl)c1 1507763378 BIKRMCQUTXOLFI-IWMITWMQSA-N 466.007 2.442 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1507802353 ABJJMJZGNQFRBR-LAUBAEHRSA-N 494.687 2.475 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCOC2)n1CCS(=O)(=O)N1CCSCC1 1508004403 MDGZABZFKMOTCG-FQEVSTJZSA-N 477.656 2.353 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(F)ccc1N1CCOCC1 1508019665 MFDXGNJLDFXUGH-SFHVURJKSA-N 475.590 2.383 30 10 JEEE C=CCN(CCc1ccco1)c1nnc(CN2CCCC2=O)n1CC1CCN(C(C)=O)CC1 1508037458 YBISDKNDIHFDQT-UHFFFAOYSA-N 454.575 2.487 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCN(C)C(=O)[C@H]1C 1508078823 JWZAICPECNHHIN-GOSISDBHSA-N 454.575 2.339 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(C3CCOCC3)CC2)cc1 1508098084 WTZATIHBQLIWCW-UHFFFAOYSA-N 468.602 2.330 30 10 JEEE COCC(C)(C)CCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(C#N)C1 1518673295 AJWLADLTIZDEQT-PGRDOPGGSA-N 482.651 2.194 30 10 JEEE C#CCCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCN(C)C(=O)[C@@H]1C 1539079020 NIGLZLNVNHMMLR-QFIPXVFZSA-N 463.630 2.113 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1Cc1cccc(N2CCOCC2)c1)[C@H]1CCS(=O)(=O)C1 1539201658 BOMLNJIUNUSQLO-KNQAVFIVSA-N 471.627 2.303 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H](c1cccs1)N(C)C)[C@H]1CCS(=O)(=O)C1 1539212353 VITWBNVVPSWAKV-PKOBYXMFSA-N 470.624 2.331 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CC1(COC)CCC1)[C@@H]1CCS(=O)(=O)C1 1539219757 MKVMENMYBLXUTR-HXUWFJFHSA-N 460.575 2.451 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1ccc(C)cc1F)[C@H]1CCS(=O)(=O)C1 1539226495 ZGGSIDZQFHKJFQ-FQEVSTJZSA-N 453.543 2.386 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCC[C@@H](O)C1 1539266646 RICJLVXDEHDDQK-AQNXPRMDSA-N 457.575 2.210 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2CCCOC[C@@H]2CCCO2)CC1 1539434890 XEPBSOLJGNJQCW-IBGZPJMESA-N 491.434 2.387 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCc2ccccn2)CC1 1539463132 UPMNUUMMXGNSKA-TYKWCNGQSA-N 465.602 2.442 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC2([S@@](C)=O)CC2)CC1 1539481657 CNZJRVZWEHIYFM-JGCGQSQUSA-N 474.030 2.399 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H]2CCOC[C@H]2C)CC1 1539484631 XASGJGOAROJDSW-VQIMIIECSA-N 456.616 2.272 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)[C@H](C)CC(N)=O 1539628228 OSKAXEHCJNDDDK-SIFCLUCFSA-N 451.531 2.275 30 10 JEEE C=CC1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCCNC(C)=O)CC1 1539877802 FXAVQIBPOZDDOK-UHFFFAOYSA-N 460.604 2.124 30 10 JEEE C=CCN(CC=C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCS(=O)(=O)N(C)C 1540171225 XDSXXJOTLSRDIZ-UHFFFAOYSA-N 482.651 2.462 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1coc2ccccc12 1540201705 YUGHCXFWSBCYTM-HXUWFJFHSA-N 475.571 2.044 30 10 JEEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)CCC1CCOCC1 1540863763 DTZCIGBFMTXELV-UHFFFAOYSA-N 489.646 2.102 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCc2cc(OCC)c(OCC)cc2C1 1540871136 FFNQBWROWOMDOP-GOSISDBHSA-N 455.559 2.444 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NC(=O)C(C)C)CC1 1540899511 QRHZAQYLGQMBSX-UHFFFAOYSA-N 470.599 2.159 30 10 JEEE C=CCSCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC(C(N)=O)CC1 1540909602 LFLNVYHJJCXAGB-UHFFFAOYSA-N 477.660 2.168 30 10 JEEE C[C@@H]1C[C@H](CCn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCO[C@@H](C#N)C2)CCO1 1543624142 HZAASVCMEJPHOF-LMMKCTJWSA-N 459.572 2.283 30 10 JEEE Cn1nccc1C(=O)N1CCC2(CC1)CN(c1ccc(C#N)c(C(F)(F)F)c1)C[C@H]2C(N)=O 1548377324 IDZOYDQEKFILSE-KRWDZBQOSA-N 460.460 2.155 30 10 JEEE COCC[C@@](C)(O)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1555418715 DJDJKPXAMRAGIL-RUZDIDTESA-N 477.569 2.334 30 10 JEEE C=CCn1c(SCC(=O)N[C@@H](CO)[C@H](O)c2cccnc2)nnc1-c1ccc(Cl)cc1 1557910660 FTCUDTASMHPZSB-PKOBYXMFSA-N 459.959 2.482 30 10 JEEE C=CCN(C(=O)Nc1cc(N2CCOCC2)ccc1Br)[C@@H]1CCS(=O)(=O)C1 1562809938 SNTBEDNIFLINPS-OAHLLOKOSA-N 458.378 2.493 30 10 JEEE CC(C)Oc1ccc([C@@H](CNC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)N(C)C)cc1 1569887369 HLKGUZFFKBVRQP-HTAPYJJXSA-N 458.584 2.431 30 10 JEEE C#CCCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1587723135 AGLNTHGDHMCLKK-UHFFFAOYSA-N 484.988 2.338 30 10 JEEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)Nc2cccc(C)c2C)CC1 1587851045 BQPAQVHYPARRFX-OAQYLSRUSA-N 463.586 2.020 30 10 JEEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCN1CCOC(C)(C)C1 1587975059 LGGDDPXAQCXCMT-UHFFFAOYSA-N 463.586 2.245 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1ccc(N(C)C)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1588054123 KSOTVFOZEHFJHG-RBUKOAKNSA-N 475.590 2.052 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1ccc(C)n(C)c1=O 1588185830 NYVPVFVBYHRFMF-UHFFFAOYSA-N 491.621 2.065 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1CCN(Cc2cccs2)CC1 1588646659 LLVUZPQISSUGBV-HXUWFJFHSA-N 491.683 2.240 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2CC[C@H]2CCOC2)CC1 1588962133 WBQNNVOCEFKYNK-FQEVSTJZSA-N 451.571 2.292 30 10 JEEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H](C)[C@@H](F)C1 1589006292 CXWKOHPGEXFCAP-QAPCUYQASA-N 451.593 2.356 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)OCC)CC1 1589568763 MGTDLXBDFWKRGA-PZJWPPBQSA-N 457.579 2.399 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](O)(c2ccccc2F)C1 1593746667 KQCLKEPZGUKHKZ-JTSKRJEESA-N 464.563 2.010 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1595476093 HUKKALDHKZTHAT-FPOVZHCZSA-N 485.596 2.499 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCCN(CCC)C(=O)C1 1595496911 KOVQKDGNSMHOCX-UHFFFAOYSA-N 462.501 2.297 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(CCOC)[C@H](C)C1 1595507207 ZQHIBNADAOGHMS-MRXNPFEDSA-N 462.982 2.066 30 10 JEEE C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)N3CCN(c4ccc(C#N)nc4)CC3)cc2)C1 1637454821 BPKWSUUHBXVHOZ-GOSISDBHSA-N 453.568 2.336 30 10 JEEE C=CCCC[C@@H](NC(=O)c1cc(S(N)(=O)=O)cc(Br)c1Cl)C(=O)OC 1644822438 DRRCMPTWVHBTJE-GFCCVEGCSA-N 453.742 2.378 30 10 JEEE C#CCNS(=O)(=O)N1CCN(Cc2c(C(C)C)nn(Cc3ccccc3)c2Cl)CC1 1653016863 KKSDIBJGMLVJHL-UHFFFAOYSA-N 450.008 2.293 30 10 JEEE N#Cc1ccc(N2CCC[C@@H](NS(=O)(=O)c3ccc(OCC(F)(F)F)nc3)C2=O)cc1 1668544383 FDPIRIXDILPJCI-MRXNPFEDSA-N 454.430 2.368 30 10 JEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1C[C@@H](OCC)C12CCC2 1689892635 KDWDAGHJFFTYTD-XUVXKRRUSA-N 479.647 2.198 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCN(CCC)C1)[C@@H]1CCS(=O)(=O)C1 1689983989 IXVYUCKWIFTTRM-RBBKRZOGSA-N 466.611 2.175 30 10 JEEE C#CCN(c1nnc(-c2ccc3ccccc3n2)n1CCN(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1689984864 XECARWZBBFICKI-FQEVSTJZSA-N 466.611 2.460 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1CCCN(C)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1689986692 VHCKPVZDJWXJMM-GOSISDBHSA-N 488.614 2.224 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN(CC)C(=O)OC(C)(C)C 1690009205 XSRFLWZEGBUWNP-UHFFFAOYSA-N 475.557 2.251 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCOC[C@@H]1C 1690043091 OOPYTJYDZOLFMF-RBUKOAKNSA-N 454.600 2.374 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(N(CC)CC)nc2)CC1 1690132166 JPARZYYPUAHTEI-UHFFFAOYSA-N 492.653 2.314 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H](C)Oc2ccc(F)cc2)CC1 1690134854 IMPGFFKCLICMRV-DXIQSLLYSA-N 457.550 2.364 30 10 JEEE C#CCSCCn1c(N2Cc3c(OC)ccc(OC)c3[C@@H](O)C2)nnc1[C@@]1(OCC)CCOC1 1690186671 TZUFABJIECIUMT-MHECFPHRSA-N 488.610 2.367 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(Cn2nc(C)cc2C)n1CC[C@H](C(F)F)N1CCOCC1 1690211015 QMFMKFWSGISLSP-AUSIDOKSSA-N 461.561 2.488 30 10 JEEE C=C(Br)Cn1c(COCC)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1690233224 AFDUZEBJEGWIBP-GOSISDBHSA-N 463.380 2.072 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](OC)C(C)(C)C1 1690432564 GNOYXRUYKYTJQQ-IRXDYDNUSA-N 455.625 2.075 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(CCC(C)(C)C)CC1 1690669071 SLZBCNCKFGSKQL-UHFFFAOYSA-N 492.628 2.052 30 10 JEEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(-c2ccccc2)no1 1692661442 DMRPCHHEGKETKY-UZLBHIALSA-N 485.570 2.053 30 10 JEEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(OC[C@H]2CCOC2)CC1 1696476147 AZZHDUHZSWTDMW-IBGZPJMESA-N 473.599 2.273 30 10 JEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1C[C@H]1CCSC1)[C@H]1CCS(=O)(=O)C1 1705569224 DZUXXDHIVJIFFS-UXHICEINSA-N 474.652 2.452 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1cccc(NC(=O)OC)c1)[C@@H]1CCS(=O)(=O)C1 1705571236 XCGGGJQHCOOENS-OAQYLSRUSA-N 494.577 2.117 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H]1CN(CC(C)C)CCO1 1705580911 SLIKJUQYJDVMRK-OAQYLSRUSA-N 487.608 2.105 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cccnc1OC 1705595367 PNYVPACYEDASHD-UHFFFAOYSA-N 463.567 2.153 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cnn(CC(C)C)c2C)CC1 1705782479 XTEMIXNRFHCHSW-NRFANRHFSA-N 491.662 2.223 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccn2C)n1CC1(O)CCS(=O)(=O)CC1 1705860413 RKYIMFWTIPCZHM-UHFFFAOYSA-N 480.594 2.288 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2c[nH]c3ccccc23)C1 1705917553 XJUSPRZUSFYSBH-AEFFLSMTSA-N 458.588 2.394 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCN(C)C(=O)[C@H]1C 1705933480 IPVARYXYYLMNLP-QGZVFWFLSA-N 491.614 2.009 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C2CC2)C1 1705935243 KZBQTWIFURXERI-DLBZAZTESA-N 453.609 2.181 30 10 JEEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](OCCOC)C1 1722333793 ZNQVTYQBBOZXEX-RTBURBONSA-N 463.579 2.242 30 10 JEEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CCCCS1(=O)=O 1722357657 MATHNAMNXFYERV-IXDOHACOSA-N 451.593 2.086 30 10 JEEE C#CCN(c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@](C)(O)C1CC1)[C@H]1CCS(=O)(=O)C1 1722364242 YLMDRBGRUHEFAA-CYFREDJKSA-N 488.610 2.140 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@@](C)(O)CC)CC1 1722443032 MPSOJPMQKQKHJZ-VWLOTQADSA-N 469.586 2.479 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCc1cn[nH]c1 1722446681 IHPXCTPOYATUDH-UHFFFAOYSA-N 460.542 2.288 30 10 JEEE C=C(Br)Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1722477676 JLUUBPBMTANPOY-IAGOWNOFSA-N 490.406 2.381 30 10 JEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 1722686103 SWLAERNTNHHTSV-HZPDHXFCSA-N 496.659 2.129 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](Nc2ccccc2)C1 1722690098 FQKXISLOZBXSPU-IBGZPJMESA-N 460.542 2.309 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1722693603 USDSWPFBFVIVJF-HNNXBMFYSA-N 463.380 2.469 30 10 JEEE C=CCNC(=O)Cn1c(N2CCN(c3cccs3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1722704145 OSZUWBFMAOQDIH-QFIPXVFZSA-N 460.604 2.009 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2CCN2CCCS2(=O)=O)C1 1722713898 HFWASAIDZDDTFI-GOSISDBHSA-N 451.980 2.415 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1722723953 JPXVMTQHXGQXGE-QGTPRVQTSA-N 480.518 2.272 30 10 JEEE CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@](C)(O)c1ccco1)[C@H]1CCS(=O)(=O)C1 1728297392 HZGRKCQWICKVRT-PGRDOPGGSA-N 455.540 2.331 30 10 JEEE COC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N2CCCCCC2)CC1 1729799114 FFFLLFBLHXSUIW-UHFFFAOYSA-N 495.584 2.410 30 10 JEEE C#CCCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1740576558 ZSRGTSZWWQXQDU-LJQANCHMSA-N 471.606 2.410 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(Oc2ccc(C)cc2)CC1 1740589794 BPCAGBGNTZZIFD-JOCHJYFZSA-N 487.626 2.381 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CCCn1cccn1)[C@@H]1CCS(=O)(=O)C1 1740620515 WYGWTJGVKDYPCE-OAQYLSRUSA-N 452.584 2.421 30 10 JEEE C#CCN(c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@](C)(O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1740621717 ZDFYUKQLESFMNF-DVECYGJZSA-N 490.626 2.386 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1740625631 RQTHRAOCIYQBHU-SJLPKXTDSA-N 465.620 2.113 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCN1CCOCC1(C)C 1740683414 GBJCGSKMGCLOLB-UHFFFAOYSA-N 463.586 2.328 30 10 JEEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2CC2(C(=O)NCC)CCC2)CC1 1740699250 ZKQWXLZGOYNVQQ-UHFFFAOYSA-N 464.614 2.134 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](C(=O)NC)C1 1740754427 SMEAZTSTXYEEOC-ZVDOUQERSA-N 487.626 2.292 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1740795512 WJQWUGIGBWGAOT-OAQYLSRUSA-N 475.615 2.027 30 10 JEEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1740875611 GRFKSNZVQXEJIW-QGZVFWFLSA-N 460.560 2.381 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCOCC2(CC2)C1 1740968136 CLNNFXJBXDIGOX-QGZVFWFLSA-N 461.588 2.118 30 10 JEEE CC(=O)N1CCN(CCn2c(-c3ccc(Cl)nc3)nnc2N2CCC(C)(C#N)CC2)CC1 1741056330 HIZVFDZVWHOKKZ-UHFFFAOYSA-N 456.982 2.288 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCCN1CCOCC1 1748665396 QFRYZYAGUSQGAY-LJQANCHMSA-N 463.586 2.245 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CCC3)n2C[C@H]2CCCS(=O)(=O)C2)c1 1748692704 LVPVTNPGOKGBAB-GOSISDBHSA-N 455.584 2.427 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1Cc1nccn1C(F)F)[C@@H]1CCS(=O)(=O)C1 1748810034 ZGEKNMBKVUXZOJ-QGZVFWFLSA-N 471.493 2.083 30 10 JEEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1coc(-c2ccc(C)cc2)n1 1748826713 ZEMPMVMMVRRHEA-SFHVURJKSA-N 466.567 2.167 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CCC(=O)NC)CC1 1749006610 UOAAAXTVKZSOPD-UHFFFAOYSA-N 487.402 2.118 30 10 JEEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(CC2CC2)CC1 1749024334 NGACSFNFFBWBKU-UHFFFAOYSA-N 459.641 2.247 30 10 JEEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1749042993 CCFIQACHCAEPCU-OAQYLSRUSA-N 468.631 2.225 30 10 JEEE C=C(C)COCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1749216464 NRJJWLHVTVZICR-XMMPIXPASA-N 471.558 2.423 30 10 JEEE C=C(C)COCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H](C)O[C@H](C)C1 1749216530 PNYUCMZXCAAUFN-QZTJIDSGSA-N 463.604 2.402 30 10 JEEE C=C(C)COCCn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1749219822 UHHFXALPNQXNAG-QGZVFWFLSA-N 450.561 2.178 30 10 JEEE C=C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1749293467 ODKXSMCNBFIMHK-LSDHQDQOSA-N 482.566 2.031 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H](S(C)(=O)=O)C1 1749690016 QFYICPMEBTVAME-ZJOUEHCJSA-N 476.599 2.239 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@@H](C)[C@@H](C)C1 1749734716 LIMPLLULBNXLEB-HDICACEKSA-N 459.620 2.145 30 10 JEEE C=CCSCCn1c([C@H](C)CC)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1749745423 ZKSQUFYKQRXRAY-MRXNPFEDSA-N 467.665 2.264 30 10 JEEE C#CCN(c1nnc([C@@H]2COc3ccccc3O2)n1CCC(C)(F)F)[C@@H]1CCS(=O)(=O)C1 1760186064 JSXRSDBUJOPTMP-QAPCUYQASA-N 466.510 2.463 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CCc1csc(C)n1)[C@H]1CCS(=O)(=O)C1 1760191670 LMZAFRIRGVXTDC-FQEVSTJZSA-N 496.618 2.363 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1cccc(C(F)(F)F)n1)[C@H]1CCS(=O)(=O)C1 1760191852 AMIIQGSAYHDCOH-JKSUJKDBSA-N 469.489 2.218 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCCSCC)CC1 1760256030 RRNRCYRJWKIRGE-UHFFFAOYSA-N 476.672 2.094 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCC(=O)NCc2ccccc2)CC1 1760269788 OWQXNEJVYLQWIX-JOCHJYFZSA-N 478.597 2.192 30 10 JEEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1760275886 MHDAWEMMGYEYNY-OALUTQOASA-N 490.699 2.481 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCCC2 1760346426 YVEQKNOBSFMLQZ-CEXWTWQISA-N 467.636 2.361 30 10 JEEE C=C(C)COCCn1c(Cc2ccccc2F)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1760358682 WWGJASIYMQPXHT-UHFFFAOYSA-N 479.560 2.421 30 10 JEEE C=CC1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1760397473 UWHPRPMARRLLQC-SIKLNZKXSA-N 467.636 2.003 30 10 JEEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@@H](CN(C)CCC)C1 1760521511 VLLJQKTZKBTFPA-KRWDZBQOSA-N 464.574 2.064 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1760527805 JINSBKAQOXYPRR-HXUWFJFHSA-N 470.643 2.482 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)NCC)CC1 1760532729 CZUAJPPZRCCTLR-OAQYLSRUSA-N 468.602 2.043 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2cccc(C(=O)N(C)C)c2)C1 1760536079 CAJHPFOLBHPLJZ-BWKNWUBXSA-N 469.586 2.462 30 10 JEEE CC[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1)OC 1762365985 DAYSYZZWPOFQHO-ZWKOTPCHSA-N 493.033 2.457 30 10 JEEE COCCN1C[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCc2nccs2)CC1=O 1769878953 DSCSLLVKFNITEL-SFHVURJKSA-N 465.583 2.447 30 10 JEEE CS(=O)(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N2CCCCC2)CC1 1770315934 DHYNRRBXPRKYQS-UHFFFAOYSA-N 470.599 2.233 30 10 JEEE CO[C@@H]1COCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1770666697 AEPQOHYBAIVJLT-RBBKRZOGSA-N 496.612 2.475 30 10 JEEE COCCN(Cc1ccc(C)o1)c1nnc(-c2ccc(C#N)cc2)n1CC(=O)N1CCOCC1 1771100861 DWOZKIKWIJHZRK-UHFFFAOYSA-N 464.526 2.230 30 10 JEEE CC(=O)N[C@@H](C)CNC(=O)Nc1ncccc1OCC(=O)Nc1sc2c(c1C#N)CCC2 1858789381 ZGOJBGAXGFNLRC-LBPRGKRZSA-N 456.528 2.167 30 10 JEEE C=CCNC(=O)[C@@H]1C[C@H](O)CN1C(=O)c1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1 1861265067 GWCOBYAEGLOYPK-YJBOKZPZSA-N 450.322 2.081 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCNC(C)=O)[C@@H]2c2ccccc2[N+](=O)[O-])cc1F 1862642262 JVSCSHOQXDBDBT-LJQANCHMSA-N 457.414 2.457 30 10 JEEE C=CCn1cc(OCC(=O)N[C@@H](C)CC)c(=O)cc1CNc1ccc2c(c1)C(=O)N(C)C2=O 1870962234 CBFYDGGBWXULIX-HNNXBMFYSA-N 452.511 2.166 30 10 JEEE C=CCN=c1nc(N2CCN(c3ccc(F)cc3)CC2)[nH]c(=Nc2cccc(NC(C)=O)c2)[nH]1 1871532950 XHOMGTQQCFIDJP-UHFFFAOYSA-N 462.533 2.481 30 10 JEEE Cc1nnc(N2CC(NC(=O)[C@H]3SCC(=O)N(C(C)C)[C@H]3c3ccc(C#N)cc3)C2)s1 1890387995 BXOAJSLICRHKOW-OALUTQOASA-N 456.597 2.117 30 10 JEEE CC(C)N1C(=O)CS[C@H](C(=O)N2CC[C@H](Oc3cnccn3)C2)[C@H]1c1ccc(C#N)cc1 1891291244 TVPWAVGDPLJJAS-BWAGFHJFSA-N 451.552 2.422 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)C[C@H]1CO 2060135714 PXUAJDROLLXAMS-YESZJQIVSA-N 454.568 2.308 30 10 JEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C(=O)N2CC=C(B3OC(C)(C)C(C)(C)O3)CC2)[C@H]1OC 2205486435 HXBJIQZEDTVYLX-SQNIBIBYSA-N 466.384 2.426 30 10 JEEE C#CCC[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 2230862994 QVHFDHUWDUOOKQ-ZRSRNVLSSA-N 465.591 2.273 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](O)CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2255703519 TZPLXSUTKOPAQZ-KGLIPLIRSA-N 452.382 2.147 30 10 JEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O 2255826527 QFJKUPGUZVSHEN-GJZGRUSLSA-N 452.382 2.066 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2256618466 QJUKSUWIJTZBQZ-OLZOCXBDSA-N 452.386 2.281 30 10 JEEE COC1(CCNC(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2267559714 SZAKFQAVAYTUIE-UHFFFAOYSA-N 450.341 2.335 30 10 JEEE C=C(CS(=O)(=O)N(CCCN(C)C)CCNC(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2267724616 MXPBRAPEQHHJFE-UHFFFAOYSA-N 475.461 2.282 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@]2(C(=O)N=c3nc(B4OC(C)(C)C(C)(C)O4)[nH]s3)CCC[C@H]12 2268654909 FVGGEUIVJXMCQW-ZSEKCTLFSA-N 464.397 2.377 30 10 JEEE C[C@@H](NC(=O)OC(C)(C)C)c1nc(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)co1 2268668699 ICVAYFHNFIHKDA-SNVBAGLBSA-N 465.341 2.085 30 10 JEEE CC(C)(C)OC(=O)N[C@]1(C(=O)NCc2sccc2B2OC(C)(C)C(C)(C)O2)C[C@H](CO)C1 2268704423 WPNVYUXMERZREO-XLOAEROZSA-N 466.409 2.329 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCN(c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C[C@H]1CO 2269004295 BSGRHKKWVOAYEA-WMLDXEAASA-N 451.348 2.232 30 10 JEEE CC(C)(C)OC(=O)N1CC(N2CCC[C@H]2C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C1 2271808066 GISKEYRAGCNXIR-UNMCSNQZSA-N 453.587 2.307 30 10 JEEE Cc1c(C(=O)NC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281978400 CFHHBLNZLHBGQS-INIZCTEOSA-N 462.400 2.405 30 10 JEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CCNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282043241 MGHKOFKCNBJJTM-JKSUJKDBSA-N 462.400 2.342 30 10 JEEE CC(C)(C)OC(=O)N1CCC(NC(=O)c2ccsc2B2OC(C)(C)C(C)(C)O2)(C(N)=O)CC1 2282487431 COSXZGNUQQYHMX-UHFFFAOYSA-N 479.408 2.032 30 10 JEEE Cn1cc(C(=O)NC[C@@H](CNC(=O)OC(C)(C)C)C(F)(F)F)nc1B1OC(C)(C)C(C)(C)O1 2282548327 WWNBMWNMCTZEMB-LBPRGKRZSA-N 476.305 2.152 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H](NC(=O)C(F)(F)F)CC[C@H]2C)n1 2282552860 NDPZUHKUQXMCMM-ZIAGYGMSSA-N 455.286 2.361 30 10 JEEE Cn1ncc(C(=O)NC[C@]2(C)CCCN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2282568814 IPMFPNNKDBBPTH-QHCPKHFHSA-N 462.400 2.486 30 10 JEEE C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1N(C)C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2282686516 TYQNYZOURQWYCK-DOTOQJQBSA-N 460.384 2.493 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@@H]1CN(Cc2ccccc2)C(C)(C)C1 2282854432 RIUJHECAQKLGLN-SFHVURJKSA-N 474.436 2.051 30 10 JEEE CC1(C)OB(c2ccc(C(=O)N[C@@H]3COCCN(C(=O)OCc4ccccc4)C3)c(O)c2)OC1(C)C 2282884111 KAXUTJOXSUMYFK-FQEVSTJZSA-N 496.369 2.459 30 10 JEEE C[C@@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2O)CC[C@@H]1NC(=O)C(F)(F)F 2282971945 JKXGJDDNACVPLS-DOMZBBRYSA-N 456.270 2.221 30 10 JEEE C[C@H]1C[C@H](NC(=O)C(F)(F)F)CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2O)C1 2282974149 FPXYFDHMDONSSV-JSGCOSHPSA-N 456.270 2.221 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](Nc2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)[C@H](S(C)(=O)=O)C1 2283031055 CMIIGVXUICPFTG-QZTJIDSGSA-N 481.424 2.012 30 10 JEEE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1N(C)C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2283059161 CGSPBNUOKNBPNV-CVEARBPZSA-N 460.384 2.493 30 10 JEEE COc1ccc(C(O)=C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccc(OC)c2)cc1 2296079090 BXPMOTWUWFUNKQ-QFIPXVFZSA-N 452.507 2.458 30 10 JEEE Cc1nc2ccccn2c1C(O)=C1C(=O)C(=O)N(CCN2CCOCC2)[C@@H]1c1cccs1 2296932595 CGWYFSHDEGGABQ-HXUWFJFHSA-N 452.536 2.458 30 10 JEEE CC#CCN(CC(=O)N1CCC[C@@](O)(CN(C)C(=O)OC(C)(C)C)C1)C(=O)OC(C)(C)C 2316017190 REQFXNXPODSTEU-HSZRJFAPSA-N 453.580 2.467 30 10 JEEE COc1ccc(N2C[C@@H](c3nnc(SCC(N)=O)n3N=Cc3cccc(OC)c3)CC2=O)cc1 2325880664 HDTXKTPFXCWBRE-INIZCTEOSA-N 480.550 2.275 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1[C@H]2C[C@H](CN(C(=O)[C@H]3C[C@H]3B3OC(C)(C)C(C)(C)O3)C2)[C@H]1CO 2334271590 PNSBXJIUVZODAZ-YRDXOGEASA-N 450.385 2.449 30 10 JEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NCCOC1CN(C(=O)OC(C)(C)C)C1 2337061355 YEDGIDPALBNRDL-UHFFFAOYSA-N 450.341 2.253 30 10 JEEE CCN(C(=O)OC(C)(C)C)[C@H](C)CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nc(C)n1C 2337323775 MBGWOCQDGVLERR-CQSZACIVSA-N 450.389 2.403 30 10 JEEE Cn1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@@H]3CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2359266117 DLRJWXXZCQVFCN-INMHGKMJSA-N 460.384 2.237 30 10 JEEE C=CCn1nc(C)c(/C=N/Nc2nnc(SCC(=O)N[C@@H](C)c3ccccc3)n2N)c1C 59829919 GVAZNILYKPKZRF-XMTZNVEYSA-N 453.576 2.407 30 10 JEEE CCN(CC)c1ccc([C@@H]2c3c(nc(N4CCC5(CC4)OCCO5)[nH]c3=O)NC(=O)[C@@H]2C#N)cc1 72444340 VUNZKXDDOLAMKD-MOPGFXCFSA-N 478.553 2.183 30 10 JEEE C#CCNC(=O)CN1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)c2ccc(Cl)cc2)CC1 728530693 NMGPHPLYLKVFHT-BVSLBCMMSA-N 471.001 2.007 30 10 JEEE CC(C)n1cc(C=NNc2nnc(SCCC(=O)Nc3cccc(N4CCCC4=O)c3)n2N)cn1 1084523291 KQVUNCWUYRLUOD-UHFFFAOYSA-N 496.601 2.463 30 10 JEEE C=CCn1c(S)nc2cc(C(=O)N[C@H]3CCN(c4ccccc4OC)C3=O)ccc2c1=O 1137511952 RRFSFPOPQVYOBO-INIZCTEOSA-N 450.520 2.415 30 10 JEEE C#CCCN(CC(F)(F)F)S(=O)(=O)c1ccc(S(=O)(=O)NCC(F)(F)F)cc1 1211446400 RVVBLZUGCBWKNJ-UHFFFAOYSA-N 452.398 2.104 30 10 JEEE C#CCCCCn1c([C@H]2CCOC2)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1286325510 YQIRNBWFCPXVBK-FQEVSTJZSA-N 457.600 2.405 30 10 JEEE C#CCN(c1nnc(C(C)C)n1Cc1cccc(CN2CCO[C@@H](C)C2)c1)[C@@H]1CCS(=O)(=O)C1 1286385897 QUAWXBCPYUHHGX-NZQKXSOJSA-N 485.654 2.297 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1CC[C@](C)(O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1286386880 IVUPEGSGOBEZSA-RDPSFJRHSA-N 465.579 2.265 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CCc2c(OC)cc(OC)cc2OC)CC1 1286480137 KLRKRNMVGWRKBN-LJQANCHMSA-N 469.586 2.196 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H]2CCCOC2)CC1 1286488953 ZMCCDBNFIJMWPD-INIZCTEOSA-N 489.418 2.439 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)COC)CC1 1286550873 JZKTYVMFBFWCHO-IRLDBZIGSA-N 450.543 2.093 30 10 JEEE C=C(C)Cn1c(N2C[C@H](C)[C@@H](N3CCCN(C(C)=O)CC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1286598315 FPIVDUFBUQWJIT-XTJBDQBJSA-N 474.650 2.274 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(Oc2cncc(Cl)n2)CC1 1286607885 LFIIGKZVRMENQU-MRXNPFEDSA-N 497.021 2.264 30 10 JEEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1286680707 LTTKUMJRGJAUMU-UHFFFAOYSA-N 451.575 2.296 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)C(=O)NC 1286763295 WJLFRXHDILTSIR-IBGZPJMESA-N 459.616 2.188 30 10 JEEE C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)c2ccccc2OCC)CC1 1286769212 XPUXTBKKSUGCEQ-UHFFFAOYSA-N 461.526 2.473 30 10 JEEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1286770864 YCBXMDCXLMSAAV-IBGZPJMESA-N 472.615 2.124 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1286780077 AUBXAWLTCOFFCD-LJQANCHMSA-N 497.003 2.411 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCC[C@H](C(N)=O)C1 1286782661 BLFQAYBDAZWDBD-KRWDZBQOSA-N 464.526 2.121 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCN2c3ccccc3C[C@@H]2C)C1 1286801432 YXLHOGOFCYAMNB-NLWGTHIKSA-N 474.631 2.121 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ccc(F)cc2C)C1 1286808240 BBNNFDHBTHEUCK-LEWJYISDSA-N 493.605 2.083 30 10 JEEE C=CCS(=O)(=O)CCn1c(CSc2ccc(C)cc2)nnc1N1CCN2C(=O)CC[C@H]2C1 1286824186 WRHKPIUVZUTSNT-SFHVURJKSA-N 475.640 2.291 30 10 JEEE CC(=O)N1CCN(CCn2c(-c3cccc(OC(F)F)c3)nnc2N(C)C[C@@H](C)C#N)CC1 1286888524 BIMASKOHKCAVFZ-INIZCTEOSA-N 461.517 2.306 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1288124351 CCDWCJLYVPPQFX-OFVILXPXSA-N 465.602 2.447 30 10 JEEE CCC[C@@](C)(O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(c2ccccc2C#N)CC1 1293816020 BBOUANFLCDMZHF-NTKDMRAZSA-N 451.575 2.369 30 10 JEEE CN(C)C(=O)[C@H]1CCCN1CCCn1c([C@H]2CCOC2)nnc1N(C)Cc1ccc(C#N)cc1 1297954277 GMQYRSXFPFOENX-FCHUYYIVSA-N 465.602 2.233 30 10 JEEE CNC(=O)C(C)(C)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCO[C@H](C#N)C1 1298920381 BUWHPHGYDMXCET-CQSZACIVSA-N 477.363 2.217 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2c(c1)[C@H](C)[C@@H](C)O2 1300307520 GAQPOJBQVDGBEM-WCLQXYBISA-N 473.599 2.002 30 10 JEEE C#CCN(CC)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1300637571 GALJUXVFSBOZHZ-RBBKRZOGSA-N 482.610 2.392 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccccc2F)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1300897388 QHEPLZCHWJZAAM-SVMVAKDDSA-N 493.605 2.495 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2cc(OC)c(OC)cc2C1 1300989942 HOTXWXKEYCQIEQ-SFHVURJKSA-N 476.599 2.353 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1cc(Br)cs1 1301491171 MHSXCLZUQCGXSS-UHFFFAOYSA-N 450.366 2.441 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)OC(C)(C)C1 1301592687 CBWLZBMWQRTELI-QGZVFWFLSA-N 459.572 2.333 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(OC)cc2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1301592972 GWRHRLWJSPPILW-QGZVFWFLSA-N 490.504 2.234 30 10 JEEE CC(C)(C)OC(=O)NCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCO[C@H](C#N)C1 1302274692 CSQXPRPIIVTOHL-LJQANCHMSA-N 464.530 2.384 30 10 JEEE CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1313497598 GXTNYVQAJITBGC-NRFANRHFSA-N 491.600 2.380 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1CCOc1ccc(Cl)cn1)[C@H]1CCS(=O)(=O)C1 1358960897 NTMWHYCTEBZCHA-SFHVURJKSA-N 472.958 2.094 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H](C)Cc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1358963011 AHUCNZLVVVVWGS-HMXCVIKNSA-N 472.611 2.296 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CCC[C@@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1358964696 FENZBYJFDHLLFV-RTWAWAEBSA-N 457.600 2.240 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@@H]1CCSC1)[C@H]1CCS(=O)(=O)C1 1358968034 XZTWLXAZZJRIMG-IRXDYDNUSA-N 464.588 2.376 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2Cc2ncnn2C(C)(C)C)CC1 1359038784 KRTUEACTYVRCJV-UHFFFAOYSA-N 452.538 2.146 30 10 JEEE C=C(Cl)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1359151854 FACWNMLUVTTXTE-UHFFFAOYSA-N 466.920 2.073 30 10 JEEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 1359221481 CQRDPSHSBZHIGN-SFHVURJKSA-N 462.595 2.458 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc(-c2noc3c2COCC3)n1CCS(C)(=O)=O 1359275099 KMTWKXQLNZBFQX-UHFFFAOYSA-N 457.556 2.286 30 10 JEEE C=CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCC(S(=O)(=O)CC)CC1 1359341327 SNAWGJOESQXPOK-UHFFFAOYSA-N 467.617 2.329 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@@H]1CC1(C)C 1360707633 HSNMLWZFCRYORD-XLIONFOSSA-N 471.631 2.128 30 10 JEEE C=CCN(CCc1ccco1)CC(=O)N1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1 1459835387 NKYZLTNSXQPNIG-UHFFFAOYSA-N 459.568 2.046 30 10 JEEE O=C(NC[C@@H](N1CCOCC1)C(F)(F)F)c1nnn(-c2ccccc2F)c1C(F)(F)F 1459865635 ADJYQWLAFLELPT-GFCCVEGCSA-N 455.334 2.418 30 10 JEEE COc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)c(C(F)(F)F)c1 1504269650 GITXJCNJKXDVSO-ZBFHGGJFSA-N 450.421 2.034 30 10 JEEE C#CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](CC(N)=O)C1 1507567723 OGJMVUUICMKSKO-RBUKOAKNSA-N 474.606 2.482 30 10 JEEE C#CCN(C)c1nnc(-c2ccc(F)cc2Br)n1CCCNS(=O)(=O)CC 1507611453 QOMKEIHCHYNTNR-UHFFFAOYSA-N 458.357 2.246 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1cccnc1OCCCC)[C@H]1CCS(=O)(=O)C1 1507632535 MWQGYMUVDMUIME-UXHICEINSA-N 473.599 2.031 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccc(OC(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 1507634533 YVOFQMABSHHVKN-WOJBJXKFSA-N 458.584 2.244 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCc1ccnc(C(C)(C)C)n1)[C@H]1CCS(=O)(=O)C1 1507639551 ZNCQBQYRKIKFMP-VQTJNVASSA-N 486.642 2.477 30 10 JEEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1(COC)CCOCC1 1507681469 UPACAUYMKTZECI-UHFFFAOYSA-N 474.631 2.449 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H]1CCS(=O)(=O)C1 1507700319 QGBHHJBBIJUCBQ-AUSIDOKSSA-N 476.574 2.144 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@H]2N(C)CCCC2(C)C)CC1 1507739227 BXOAWVNLUHYMOA-JOCHJYFZSA-N 463.630 2.350 30 10 JEEE C#CCSCCn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@@H](C(N)=O)C1 1507744816 PKKIGWRTHCFNNY-CYBMUJFWSA-N 464.389 2.394 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCCS(=O)(=O)C1 1507764808 URGBLOBSSQYGGB-VGOFRKELSA-N 476.624 2.166 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(=O)c2ccsc2)CC1 1507845168 XPROSDWOXPLEGV-LJQANCHMSA-N 493.655 2.187 30 10 JEEE C=C(C)COCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CC(=O)NC(C)C 1507845215 BTCJCQMVRDBNJP-GOSISDBHSA-N 480.610 2.140 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H]2CCS(=O)(=O)C2)CC1 1507903574 SGBXGAUKPFNENV-MOPGFXCFSA-N 495.646 2.424 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1507915331 BLURKWQRYOXECQ-ROUUACIJSA-N 489.646 2.180 30 10 JEEE C=CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1508048823 ZTIQUTNTHMKWMH-UTKZUKDTSA-N 453.547 2.418 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 1508087479 RNXGZFUGAIYDQR-UHFFFAOYSA-N 464.530 2.426 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccc1C(F)(F)F 1508089887 GKVAYCPDWWXTHU-OAHLLOKOSA-N 471.505 2.138 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1508091580 MNHIZSUCRPHMCB-LJQANCHMSA-N 467.530 2.045 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(C)(C)NC(=O)OC(C)(C)C)C1 1508124950 NDMBUKKEDDNYQD-IRXDYDNUSA-N 483.635 2.265 30 10 JEEE C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(c3nnc(-c4cccc(C#N)c4)n3CC(C)(C)O)CC2)C1 1511976933 AJQUSAMZOGYTPL-WOJBJXKFSA-N 479.629 2.214 30 10 JEEE CN(CCS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1CC1(N(C)C)CCCCC1 1517352559 GYQJAOGVUNNZKP-UHFFFAOYSA-N 474.631 2.474 30 10 JEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)[C@H](C)c2ccc(S(C)(=O)=O)cc2)c1 1526853865 SPHUZRVXSMZSPS-GOSISDBHSA-N 454.548 2.067 30 10 JEEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)c2cccc(Cl)c2)CC1 1539132807 REHRJMYNJIJICU-UHFFFAOYSA-N 454.962 2.430 30 10 JEEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CCc1ccccc1C)[C@H]1CCS(=O)(=O)C1 1539205692 JHBJKNBFYYUNJW-WIOPSUGQSA-N 486.638 2.497 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1C[C@@]1(O)CCSC1)[C@@H]1CCS(=O)(=O)C1 1539210766 DNQUHYOOPJLZKX-QRWLVFNGSA-N 485.006 2.232 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1cccc(C(C)(C)O)c1)[C@H]1CCS(=O)(=O)C1 1539219439 CJLWSPVHFZMUFQ-LEWJYISDSA-N 472.611 2.422 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCOc2cccc(C)c2)CC1 1539431255 SFHDMDYOLWRFGR-RUZDIDTESA-N 453.587 2.461 30 10 JEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 1539498892 YFEHUAYZSOWKOX-IRXDYDNUSA-N 482.701 2.199 30 10 JEEE C=C(Br)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](n2cncn2)C1 1539574759 PQOSKMYYBPIMJE-AWEZNQCLSA-N 458.324 2.267 30 10 JEEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1539714347 CGRIFSXAGOWEOE-UHFFFAOYSA-N 473.647 2.226 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)N(C)C2CCCCC2)CC1 1539751446 NKWSONMJSLEGAX-OAQYLSRUSA-N 474.650 2.288 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)N2CCCCC2)CC1 1539889690 ADUDCNJIQJDKEV-FQEVSTJZSA-N 480.679 2.278 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1540867236 PITRBVAOYINVLN-UHFFFAOYSA-N 470.471 2.278 30 10 JEEE C=CCNC(=O)Cn1c(N(C)Cc2nc(C(F)(F)F)cs2)nnc1[C@]1(OCC)CCOC1 1540875967 CXBUBANDECAKDD-SFHVURJKSA-N 474.509 2.344 30 10 JEEE CC(C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@@]2(CCO[C@@H]2C)C1 1544721531 BYOAJKLDIZKEKR-GGUMNFRJSA-N 452.559 2.362 30 10 JEEE N#Cc1cn(CCC(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2c2cccc(F)c2)c(=O)nc1O 1556956328 DENHMFMDWYCCGD-FCHUYYIVSA-N 461.497 2.134 30 10 JEEE N#Cc1cc(F)ccc1N1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)CC1 1557978714 DMIGPPWYTYVYBV-GOSISDBHSA-N 456.543 2.447 30 10 JEEE C#CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1587831361 NBUKEUNTJLQNFE-XMMPIXPASA-N 466.542 2.190 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCCO[C@@H]1C(C)C)[C@H]1CCS(=O)(=O)C1 1588074856 UCJCJSVXMYTUIX-KGWSWXIGSA-N 494.658 2.080 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCN2CCSCC2)CC1 1588749844 AKDXGVRHKMBRKA-LJQANCHMSA-N 458.607 2.361 30 10 JEEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1589059304 DPOXMWHBRQYGOK-INIZCTEOSA-N 461.617 2.245 30 10 JEEE C#CCSCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1589109844 KUYWLUHXOPXSPY-IBGZPJMESA-N 477.656 2.310 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1589530202 SVJAIYUVIMQTMX-INMHGKMJSA-N 467.496 2.165 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCNS(C)(=O)=O 1595213271 YGLFSPIVTROHSR-KRWDZBQOSA-N 468.624 2.120 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 1595516968 MERYOWXSZAHURJ-UHFFFAOYSA-N 493.656 2.373 30 10 JEEE CC(C)C(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(Nc2cccnn2)CC1 1598158454 FUTUMZWGVMOTEG-UHFFFAOYSA-N 489.584 2.372 30 10 JEEE COc1cccc(Oc2ncccc2CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)c1 1618356906 HCCGLKPMNFNHGQ-UHFFFAOYSA-N 452.492 2.349 30 10 JEEE N#CCOc1cccc(CNC(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)c1 1684367709 DUEIJMRIPYOCSF-UHFFFAOYSA-N 450.467 2.083 30 10 JEEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H](c2ccc(Cl)cc2)[C@@H]2CN(C)CCO2)n1 1685967656 SPKCLWWEFVXFRY-VXKWHMMOSA-N 459.978 2.400 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1(S(C)(=O)=O)CC1 1690054917 JUBHTKPRNQCWKW-SFHVURJKSA-N 475.615 2.390 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2CC2([S@](C)=O)CCC2)CC1 1690150816 WNSPUNLOVDRBQY-HKBQPEDESA-N 459.641 2.197 30 10 JEEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1690188943 QQUCLJHCUYQXMX-WOJBJXKFSA-N 460.648 2.019 30 10 JEEE C=C(Br)Cn1c(N2CCN3C(=O)N(CC(C)C)C[C@@H]3C2)nnc1[C@@]1(OCC)CCOC1 1690234546 IAHXMQLDMJFYKB-LAUBAEHRSA-N 497.438 2.421 30 10 JEEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCNC(=O)c1cccc(O)c1 1690522629 IMQDOJSXXWBKMS-UHFFFAOYSA-N 483.598 2.386 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](N2CCCC2)C1 1690720489 KOGLLGFGPJICEH-OAQYLSRUSA-N 454.600 2.482 30 10 JEEE CC(C)(C)[S@](=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@@](F)(C#N)C1 1691325825 HDYLZUAUNDXKOL-DHYKOVJISA-N 474.610 2.441 30 10 JEEE C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N(C)C)CC1)c1nccs1 1692695181 ASTJNMFMSOWQAV-QGZVFWFLSA-N 464.599 2.287 30 10 JEEE CCCS(=O)(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cc(C)on2)CC1 1695476410 ADSLMOQUKISIQA-UHFFFAOYSA-N 469.571 2.460 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCOCC1CCOCC1 1705491015 VVZJSTIEELENBI-SFHVURJKSA-N 464.570 2.483 30 10 JEEE C#CCN(c1nnc(-c2ccc(F)cc2Br)n1CCOC)[C@H]1CCS(=O)(=O)C1 1705563553 ZOBCFPOSVKZVCS-AWEZNQCLSA-N 471.352 2.120 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCN1CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1705566124 YNYMUIMSGCQHGY-KNQAVFIVSA-N 466.611 2.175 30 10 JEEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(C(C)(F)F)c1)[C@H]1CCS(=O)(=O)C1 1705566278 MTPXRJXRONHZFR-ZWKOTPCHSA-N 477.537 2.016 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCc1cnn(C)c1 1705595509 WAKXHFISCXUUQQ-UHFFFAOYSA-N 464.599 2.067 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2Cc2ncnn2C(C)(C)C)CC1 1705643276 ZCBAZKFHGBZHSV-UHFFFAOYSA-N 464.574 2.016 30 10 JEEE C#CCSCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCNC(=O)[C@H]1CC 1705661981 MPIZJHHIZKSOAC-GOSISDBHSA-N 476.647 2.474 30 10 JEEE C#CCSCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC(OCC(N)=O)CC1 1705663712 OSIYDXOKYYXAKE-UHFFFAOYSA-N 452.584 2.187 30 10 JEEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2ccc(F)cc2)C1 1705731620 YXNFXEBZQYJZBB-LPHOPBHVSA-N 467.567 2.198 30 10 JEEE C=CCC(C)(C)Cn1c(-c2noc3c2COCC3)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1705789738 VLNVSFCBKPCYMA-MRXNPFEDSA-N 478.619 2.374 30 10 JEEE C=CC[C@H](Cn1c(-c2cnn(C)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1)c1ccccc1 1705797484 XGUXKELYOYVQPY-SFHLNBCPSA-N 450.543 2.399 30 10 JEEE C=CCCOCCn1c([C@H]2CCCCO2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1705830667 VFZCIKUWLHDDLQ-HXUWFJFHSA-N 454.579 2.353 30 10 JEEE C=CCOc1ccccc1Cn1c(-c2cnccn2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1705912763 TWVSTNCSAVDRGR-UHFFFAOYSA-N 483.598 2.114 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCCS(=O)(=O)c2ccccc2)C1 1705923045 YFLNLUXFBNTBGJ-IBGZPJMESA-N 456.572 2.324 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 1705936737 XHQDBMBQCVRAPY-SFHVURJKSA-N 491.614 2.073 30 10 JEEE N#C[C@]1(F)CCN(c2nnc(-c3ccc(Br)s3)n2CCCn2cc(CO)nn2)C1 1712874972 HQYNNWASOSXHQU-QGZVFWFLSA-N 481.355 2.385 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(Cl)c(OC)c(OC)c1 1722297205 YQPNCOHASQFIIL-HIFRSBDPSA-N 452.964 2.357 30 10 JEEE C#CCCCn1c(COc2ccc(OC)cc2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1722340301 UECKLLBTFLOIOP-HYBUGGRVSA-N 480.613 2.268 30 10 JEEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCc1cccc(C(=O)NC)c1 1722350523 BRPKPSMMFIACIU-UHFFFAOYSA-N 458.570 2.124 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1CCc1ccccn1)[C@H]1CCS(=O)(=O)C1 1722361065 KTXSXVRGQYSFEV-IBGZPJMESA-N 451.552 2.218 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Br)n1CCc1cn[nH]c1)[C@H]1CCS(=O)(=O)C1 1722364069 WWWSXNSANKXDCI-INIZCTEOSA-N 489.399 2.300 30 10 JEEE C#CCN(c1nnc(-c2noc3c2COCC3)n1CC(C)(C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1722368355 QHHRSHSARHDZAO-MRXNPFEDSA-N 461.588 2.315 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN1CCC[C@H]1C 1722417765 SEUDJPLEDUBNNT-QZTJIDSGSA-N 462.595 2.152 30 10 JEEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2CCC(=O)N2CCCCC2)CC1 1722441020 FNEPPGDCCZNICY-UHFFFAOYSA-N 450.587 2.323 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2Cc2cnn(C)c2)CC1 1722443861 CKGURPCEYRVDTI-QGZVFWFLSA-N 465.533 2.305 30 10 JEEE C#CCSCCn1c(N2CCCN(CC(F)(F)F)CC2)nnc1[C@]1(OCC)CCOC1 1722464199 XNEIJTBBDCDVOK-IBGZPJMESA-N 461.554 2.371 30 10 JEEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1722480617 RZOMLXWMMNPYGI-IRXDYDNUSA-N 469.384 2.321 30 10 JEEE C=C(C)COCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1722529975 JHPZKSXQTRKRLT-RTBURBONSA-N 451.579 2.432 30 10 JEEE C=C(Cl)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1722545544 IEDFXHMDCLTUSB-IERDGZPVSA-N 482.006 2.332 30 10 JEEE C=CCCCn1c(N2CCN(c3nccnc3C#N)C[C@H]2C)nnc1[C@]1(OCC)CCOC1 1722622664 MIIDRIGEHXSSPW-JPYJTQIMSA-N 452.563 2.273 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCc2c(ccnc2N(C)C)C1 1722695737 OKBIHLABAAHQCH-UHFFFAOYSA-N 452.950 2.319 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1722730210 LOOIOQZNVVWAGX-YADHBBJMSA-N 479.610 2.484 30 10 JEEE CNS(=O)(=O)CCn1c(-c2cc(F)ccc2Br)nnc1N(C)[C@@H](C)CC#N 1729737407 DCAZACCDSONJTF-NSHDSACASA-N 459.345 2.134 30 10 JEEE N#C[C@@]1(F)CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC2(O)CCS(=O)(=O)CC2)C1 1731179215 BCHISQHAZSLNOE-SFHVURJKSA-N 471.917 2.119 30 10 JEEE N#C[C@@H]1CN(c2nnc(-c3ccc(Br)s3)n2C[C@@H]2CCCCS2(=O)=O)CCO1 1731188480 GSFDYNDBTUCTFO-OLZOCXBDSA-N 486.417 2.465 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2ccc(Cl)nc2)CC1 1740702322 LFEJCHWGOYYVDF-MRXNPFEDSA-N 460.966 2.065 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CCCN2CCCC[C@@H]2C)CC1 1740707231 UWGFMOKGKKFVRE-NRFANRHFSA-N 463.630 2.494 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCN(C)c2ccccc2)CC1 1740708269 JHFPHODRCRAVRD-UHFFFAOYSA-N 474.613 2.242 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1740762692 VRKXNMDCFFDXIR-BIVLZKPYSA-N 478.537 2.317 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(OCCCOC)CC1 1740762908 XBGREWDMMUUHOJ-SBHAEUEKSA-N 482.647 2.183 30 10 JEEE C=C(C)CN(CC)c1nnc(CN2CCCC2=O)n1CC(=O)N1CCN(c2ccccc2)CC1 1740776736 ZAIFAKLYCCDZNP-UHFFFAOYSA-N 465.602 2.152 30 10 JEEE C=CCCOCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(C(C)=O)C[C@H]1C 1740884955 RREBTTVKQRJCLC-MRXNPFEDSA-N 451.531 2.244 30 10 JEEE C=CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@]1(C)COCCO1 1740940340 BRUKNJNEMJGKNG-XMMPIXPASA-N 468.558 2.119 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1740965368 OJPAMQCKSHLGJP-INIZCTEOSA-N 474.587 2.158 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1740975590 PRXHJQQWMVWZBE-HVSLCEISSA-N 459.510 2.124 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCS[C@H](C(C)C)C2)nnc1[C@]1(OCC)CCOC1 1740995544 PGHNNBSVKXTTFI-PXNSSMCTSA-N 458.650 2.109 30 10 JEEE Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)CC#N)n2C[C@@H]2C[C@H](F)CN2Cc2nccn2C)n1 1742678364 HXNHCRGXXAYWKQ-IHPCNDPISA-N 468.585 2.224 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC1(OC)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1748815975 VCCKXRGMNOBMOV-MOPGFXCFSA-N 450.605 2.496 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H](C)Oc1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 1748818459 ZWVVLXPKRWEFHP-AQNXPRMDSA-N 458.584 2.185 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1CC1(OC)CCCC1)[C@@H]1CCS(=O)(=O)C1 1748818684 DMUXCPCTFPXTLD-GOSISDBHSA-N 463.629 2.220 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1CCN1CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1748821034 LMAKDYIWJUFBSX-QUCCMNQESA-N 461.657 2.289 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1748825172 WEXUJVISGMJJEF-FQEVSTJZSA-N 458.584 2.219 30 10 JEEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@]1(N(C)C)CCSC1 1748912472 DTJOCPUNQGXHDO-QFIPXVFZSA-N 475.688 2.443 30 10 JEEE C#CCN1CCN(c2nnc(C3(c4ccccc4)CCC3)n2CCCN(C)S(=O)(=O)CC)CC1 1748978716 RMVFJCYHXCIFKK-UHFFFAOYSA-N 484.670 2.175 30 10 JEEE C#CCSCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1749040311 TXBOJZCVKBFIFC-SFHVURJKSA-N 485.017 2.421 30 10 JEEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(Nc2cccnn2)CC1 1749044392 QKRXLCNOMPUASM-UHFFFAOYSA-N 451.604 2.377 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1CCCNC(=O)c1cccc(O)c1 1749055765 ORIVITRHNGRJAD-RPBOFIJWSA-N 467.570 2.448 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 1749097648 GGJGVEHKAABGOW-STQMWFEESA-N 466.340 2.222 30 10 JEEE C=C(C)COCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCCN(C(C)=O)CC1 1749230215 VEUCAGOHZRZXSL-UHFFFAOYSA-N 468.606 2.103 30 10 JEEE C=C(Cl)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1749261542 VBYARGWKSCQBOK-QGZVFWFLSA-N 482.990 2.499 30 10 JEEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)COc2ccc(F)cc2)CC1 1749428077 YLBLTRPYGJULPM-GOSISDBHSA-N 491.589 2.013 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC(N2CCCNC2=O)CC1 1749657993 JWTRWHNJTPHXGT-UHFFFAOYSA-N 457.966 2.285 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 1749676255 JWYCKICBHOACSB-HXUWFJFHSA-N 452.481 2.096 30 10 JEEE C[C@@H]1CCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1 1752113295 GEORGUPDLJPNKM-QUCCMNQESA-N 452.559 2.460 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(NC(=O)OC(C)(C)C)COC1 1760100211 SIDKDBUZKKMTBY-GAJHUEQPSA-N 463.579 2.070 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1c(F)cccc1F)C1CC1 1760154211 BRJFAOWMADBJAX-HXUWFJFHSA-N 479.553 2.472 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@H](C)Oc1ccccc1OC)[C@H]1CCS(=O)(=O)C1 1760189206 GOIKANLXCZOETM-FPOVZHCZSA-N 495.605 2.367 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1CCN(C)Cc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1760189959 SLQMXEXFFMHFRD-QFIPXVFZSA-N 482.585 2.238 30 10 JEEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1CCSC(C)C)[C@@H]1CCS(=O)(=O)C1 1760190627 SMKMCEBCQJLKNX-LJQANCHMSA-N 472.640 2.285 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1CCN1CCN(C)C(C)(C)C1 1760195423 DKDMUAAJJHDXJU-UHFFFAOYSA-N 472.435 2.145 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2C[C@H](C)CN2CCN(CC)CC2)CC1 1760269156 AKNWCCVLJNJQOX-OAQYLSRUSA-N 471.694 2.106 30 10 JEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC(c2nnc3n2CCCC3)CC1 1760272626 QGOCMJHZSCRUNK-UHFFFAOYSA-N 456.620 2.095 30 10 JEEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1760285213 YRNAYNXHYDRGFU-UHFFFAOYSA-N 461.599 2.099 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Oc1cccc(C)c1 1760295515 UDAPIPNMEAPGRF-NHCICSSKSA-N 487.626 2.379 30 10 JEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 1760348752 KMLMKKBJBUBVCU-RBBKRZOGSA-N 484.649 2.360 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)N(C)c2ccccc2)CC1 1760389873 VYCGCOXADVHXCY-PZJWPPBQSA-N 474.631 2.292 30 10 JEEE C=CC1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CCN(C)CCOC)CC1 1760400820 OUFUTIHDPUYGQH-UHFFFAOYSA-N 461.636 2.219 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(CCC)C(=O)C1 1760532637 AOKLGFWFCNLPBG-HXUWFJFHSA-N 487.626 2.242 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(NC(C)C)CC1 1760554566 HHLQCIGWLPSCOZ-NRFANRHFSA-N 475.615 2.358 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCO[C@](C)(c3ccccc3)C2)nnc1[C@]1(OCC)CCOC1 1760558194 IQZWGWLWIKQODV-ZEQRLZLVSA-N 490.626 2.283 30 10 JEEE CCNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ncccn2)CC1 1765588937 CVYUMORXLXIBDM-UHFFFAOYSA-N 459.558 2.096 30 10 JEEE CCOC(=O)N1CCC(NC(=O)C(=O)/C=C/c2ccc(OCC(=O)N(CC)CC)cc2)CC1 1860733512 HRPNBBQUAOVQFM-FMIVXFBMSA-N 459.543 2.253 30 10 JEEE C=CCOc1ccccc1[C@@H]1C(C(=O)NCCCNC=O)=C(N)Oc2c1c(C(F)(F)F)nn2CC 1864325074 DMESPFXYQXAKKR-INIZCTEOSA-N 493.486 2.434 30 10 JEEE C[C@@H](NC(=O)C[C@@H](c1cccc(Br)c1)c1nn[nH]n1)C(=O)Nc1cccc(C#N)c1 1867246517 GHAVWMMCUNCZBW-PXAZEXFGSA-N 468.315 2.499 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCc2nc(O)c3ccccc3n2)cn1CCNC(C)=O 1870374671 RZDPNQICXMNCJY-UHFFFAOYSA-N 463.538 2.386 30 10 JEEE C#CCOc1cn(C[C@@H](c2ccc(O)cc2)N(C)C)c(CN2CCC3(CC2)OCCO3)cc1=O 1870561565 SERUHWAEKPQJSW-QHCPKHFHSA-N 467.566 2.208 30 10 JEEE C=CCn1cc(OCC(=O)Nc2ccc(OC)cc2)c(=O)cc1CN1CCN(c2ncccn2)CC1 1870739829 JLCKVJHLCCXOLD-UHFFFAOYSA-N 490.564 2.173 30 10 JEEE COCCN1CC(=O)C(c2nc(C)cs2)=C1NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 1873710683 PVALNYCJVZGTNK-UHFFFAOYSA-N 461.456 2.206 30 10 JEEE COCCN1CC(=O)C(c2nc3ccccc3s2)=C1NC(=O)[C@@H]1CC(=O)N(C(C)(C)C)C1 1873711162 JMVGGDZOYNLPOW-CQSZACIVSA-N 456.568 2.259 30 10 JEEE CC(C)N1C(=O)CS[C@H](C(=O)N2CCN(c3cc(N(C)C)cnn3)CC2)[C@H]1c1ccc(C#N)cc1 1889627037 IHYHICRIQBBBOP-RPWUZVMVSA-N 493.637 2.157 30 10 JEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](C(=O)N2CCC[C@@H](B3OC(C)(C)C(C)(C)O3)C2)C1 1892761259 OFSVMRFDCSNFCF-HZPDHXFCSA-N 472.413 2.105 30 10 JEEE N#CC1CC(O)(C[S@](=O)C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)C1 1990659264 GPLMKDFBFUWUKH-AEPRGOIKSA-N 468.531 2.392 30 10 JEEE CC(C)(C)OC(=O)N1Cc2nncn2C[C@@H]1C(=O)N1CCC=C(B2OC(C)(C)C(C)(C)O2)C1 2189204844 BZIJHCLGRQHKFN-MRXNPFEDSA-N 459.356 2.188 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NC[C@H](C)[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)C1 2266487398 ZFOXEPYKOKUOFM-JATHRLDDSA-N 465.591 2.417 30 10 JEEE CC(C)(C)OC(=O)N1CCSC[C@H](NC(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)C1 2267193349 DHEQTFWQKNIFFE-OAHLLOKOSA-N 463.409 2.463 30 10 JEEE CC(C)(C)OC(=O)NCCN(CCO)C(=O)c1c(F)cccc1B1OC(C)(C)C(C)(C)O1 2267447146 DVFMTPASAYJNIG-UHFFFAOYSA-N 452.332 2.084 30 10 JEEE C=C(CS(=O)(=O)N1CC[C@H]2OCCN(Cc3ccccc3)[C@H]2C1)B1OC(C)(C)C(C)(C)O1 2267723653 XKGLUZVZTGBUGL-LEWJYISDSA-N 462.421 2.479 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cc(F)ccc2B2OC(C)(C)C(C)(C)O2)C1 2281761217 CPZZJUJMIQTBJU-KBXCAEBGSA-N 464.343 2.083 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@](CNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)(C2CC2)C1 2281927490 ADUZOJVPYFMKIL-QHCPKHFHSA-N 460.384 2.476 30 10 JEEE Cn1cc(C(=O)N[C@H]2C[C@H]3C[C@H]2CN(C(=O)OC(C)(C)C)C3)nc1B1OC(C)(C)C(C)(C)O1 2282036837 ODMWRBBEGVZXLH-PMPSAXMXSA-N 460.384 2.095 30 10 JEEE Cc1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2CO)c(B2OC(C)(C)C(C)(C)O2)c1 2282117731 VLMXXFGNEBCHRK-KRWDZBQOSA-N 460.380 2.348 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(C(=O)NCC2(CO)CN(C(=O)OC(C)(C)C)C2)c1 2282119996 ACFQJZXOJBPPBD-UHFFFAOYSA-N 460.380 2.253 30 10 JEEE Cc1c(C(=O)N2CC[C@@](C)(CNC(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282545129 VTOJJWMGTQBOQE-QHCPKHFHSA-N 462.400 2.405 30 10 JEEE Cc1c(C(=O)N2[C@H](C)CN(C(=O)OC(C)(C)C)C[C@H]2C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282555512 UNVUKYYZSKJDSK-HUUCEWRRSA-N 462.400 2.498 30 10 JEEE CC(C)(C)OC(=O)NCc1nnc(NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2O)o1 2282793335 ZOOSQVTVJAWJAM-UHFFFAOYSA-N 460.296 2.351 30 10 JEEE CC(C)(C)OC(=O)N1CC([C@H]2CCN(C(=O)c3nccnc3B3OC(C)(C)C(C)(C)O3)C2)C1 2283055109 DBGXNFUKYHNACR-HNNXBMFYSA-N 458.368 2.105 30 10 JEEE CN(C[C@@]1(O)CCCN(C(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)C1)C(=O)OC(C)(C)C 2286313174 PGLJQYCMIDACAB-QHCPKHFHSA-N 464.368 2.413 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC[C@@H](C)N(C)C(=O)OC(C)(C)C)n1C 2337320129 VQRFPMYSMDPDOP-CQSZACIVSA-N 450.389 2.403 30 10 JEEE CC1(C)OB(c2sccc2CS(=O)(=O)N[C@H](CCO)COCc2ccccc2)OC1(C)C 2343585603 VOCZLVMJPPVLEF-LJQANCHMSA-N 481.445 2.435 30 10 JEEE CCOc1ccc(CCNC(=O)Cc2ccc(/N=C3\N[C@@H]4CS(=O)(=O)C[C@H]4S3)cc2)cc1 9530050 QUPCSLYLOKTBHH-NHCUHLMSSA-N 473.620 2.476 30 10 JEEE COc1ccc(N/C(=N/S(C)(=O)=O)NCc2cc(OC)c(OC)c(OC)c2)cc1OC 33116407 LSTQMBGAAWNGII-UHFFFAOYSA-N 453.517 2.247 30 10 JEEE C[C@@H]1CN(C(=O)c2nn(C)c(=O)c3ccccc23)C(=Nc2cccc(S(=O)(=O)N(C)C)c2)S1 254392725 ZPVBOQVWMXOVFN-CQSZACIVSA-N 485.591 2.449 30 10 JEEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)c1 749125683 ATIRDRYQAMDKEU-CZEALIGGSA-N 496.636 2.353 30 10 JEEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1CC[C@@H](C(F)F)N1CCOCC1 1286363056 NAWQJVQLGGCWGM-HNNXBMFYSA-N 471.350 2.472 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccc(CSC)cc1)[C@H]1CCS(=O)(=O)C1 1286389320 HZCVZDVETFCCMV-FQEVSTJZSA-N 470.624 2.217 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)Nc2ccccn2)n1Cc1nncn1CC 1286452536 PAPXRXKOFYXAKJ-UHFFFAOYSA-N 459.489 2.364 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@](C)(O)c1ccsc1 1286459145 ARARVGJKPAXINT-QFIPXVFZSA-N 474.608 2.404 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1(CS(C)(=O)=O)CC1 1286469582 JUOTVYPDVVMENF-SFHVURJKSA-N 495.646 2.261 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCN2CCCC2)CC1 1286495459 WMSGWHCFBOZLFR-OYRHEFFESA-N 499.660 2.110 30 10 JEEE C#CCSCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCC[C@H](C(N)=O)C1 1286503895 GLTCFSFHKWMLCN-KRWDZBQOSA-N 479.610 2.304 30 10 JEEE C=C(Br)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@H](OCCOC)C1 1286539403 ZQQZIDONRFEIQH-OAHLLOKOSA-N 489.374 2.342 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC(N(C)C(=O)OCC)CC1 1286561902 DBWSVTBKJMTGEE-XMSQKQJNSA-N 474.606 2.439 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)N[C@H](C)c1ccccc1 1286727263 NUTGLEAZHBKNIW-QUCCMNQESA-N 476.647 2.363 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCOC[C@@H]1OC 1286766386 QJRQBRCLECZKLQ-NSHGMRRFSA-N 464.588 2.060 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCCN(C(C)C)CC1 1286787297 QYGZQSKQHRJWEY-UHFFFAOYSA-N 492.628 2.288 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1286791751 BNGDCEQEXJODPG-SFHVURJKSA-N 455.559 2.299 30 10 JEEE C=CCNC(=O)Cn1c(N2CCN(c3cc(F)ccc3F)CC2)nnc1[C@]1(OC(C)C)CCOC1 1286793888 PBBOZHJZDATFBF-DEOSSOPVSA-N 490.555 2.226 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(F)cc3)n2CC2(S(C)(=O)=O)CC2)C1 1286812039 JGQFJXYNTQQNKH-SFHVURJKSA-N 450.536 2.355 30 10 JEEE C=CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1286827587 UOUDKOWEDIELID-GOSISDBHSA-N 456.572 2.346 30 10 JEEE CCCC(O)(CCC)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(C#N)C1 1294005054 AHKZFTJHFAOZQX-WIYYLYMNSA-N 482.651 2.072 30 10 JEEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCC(CC#N)CC3)n2Cc2cnn(C)c2)c1 1298096222 BXWOQCBPZZBGAG-UHFFFAOYSA-N 468.587 2.107 30 10 JEEE CNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1298926849 FCSBMMPBSKWSIL-UHFFFAOYSA-N 475.601 2.035 30 10 JEEE COC(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCCO[C@@H](C)C2)C1 1299367250 BHZNHACDXOSVNL-GHTZIAJQSA-N 452.559 2.317 30 10 JEEE C#CCN(c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCOCC(F)F)[C@H]1CCS(=O)(=O)C1 1300482225 DRLGEQJLXODFJL-KRWDZBQOSA-N 490.536 2.244 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2ccccc2F)n1CCOCC)[C@@H]1CCS(=O)(=O)C1 1300485854 ZSFKBGOCDSQQAH-IAGOWNOFSA-N 450.536 2.220 30 10 JEEE C#CCN(c1nnc(CC)n1Cc1cc(Br)ccc1OC)[C@@H]1CCS(=O)(=O)C1 1300499821 XQRSMQMAQHODQF-MRXNPFEDSA-N 467.389 2.287 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2CC2([S@@](C)=O)CCC2)CC1 1300726970 SRSQTRMTDSTBGP-UUWRZZSWSA-N 483.638 2.145 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2csc(C)n2)CC1 1300876872 VCENNKLRWMPIGM-QUCCMNQESA-N 473.647 2.485 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 1300877725 ZDQSCDYQGVKTPJ-UXHICEINSA-N 469.652 2.260 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1300881322 NSIHDJYTDFCPPM-RXVVDRJESA-N 474.631 2.490 30 10 JEEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@H]3CCCN3C[C@H]2C)cc1 1301518015 FPHMNQFZJYBWFE-WSTZPKSXSA-N 474.631 2.174 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccc(OC(F)F)c(F)c1 1303835636 CUGWEESKFWGTGF-ZMZPIMSZSA-N 476.456 2.119 30 10 JEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)[C@H]2CCO[C@@H]2CNC(=O)OC(C)(C)C)cc1 1355508333 MNZAVLLYXDZGJQ-ZWKOTPCHSA-N 453.561 2.361 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(OCCOC)CCOCC1 1358878215 SNKXNADVYDCMDB-SFHVURJKSA-N 476.599 2.019 30 10 JEEE C#CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCC(S(C)(=O)=O)CC1 1358927727 HYUVHNANMOYJNI-UHFFFAOYSA-N 482.610 2.492 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCSC 1359016495 DMDPRFKWVNNASE-IBGZPJMESA-N 481.619 2.143 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3CC)n2C[C@@H]2CCOC[C@H]2OC)CC1 1359039161 YMRPULRCVAFTED-JTHBVZDNSA-N 453.587 2.226 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2C/C=C/CC)CC1 1359044384 DSEPEGCNWABNRI-AATRIKPKSA-N 462.602 2.384 30 10 JEEE C=C(Br)Cn1c(-c2cccc(OC)c2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1359079060 XNIDMWLSNRQFLK-UHFFFAOYSA-N 475.347 2.383 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N1CCC(OCC(N)=O)CC1 1359105174 KUFNYLUYPAYLHJ-UZUQRXQVSA-N 473.549 2.448 30 10 JEEE C=C(C)COCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@H](NC(=O)OCC)C1 1359130962 DCEYZFBHMXBFTE-SFHVURJKSA-N 495.584 2.500 30 10 JEEE C=CCCOCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](C)C1 1359227488 CCLAPXLLQRUPQA-QZTJIDSGSA-N 451.568 2.404 30 10 JEEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(C)C)CC1 1359227750 KWNZVMUDVJMTIK-LJQANCHMSA-N 455.625 2.076 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1359301717 IQVUOHVKXDTZKZ-HXUWFJFHSA-N 473.021 2.373 30 10 JEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1 1359303804 BGWZDXAMFBXONO-PMACEKPBSA-N 498.632 2.278 30 10 JEEE C=CCOc1ccccc1Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H](CC(N)=O)C1 1359311170 SNPSCWRFRFLDSS-GOSISDBHSA-N 452.559 2.105 30 10 JEEE CC(=O)N1CCC(Cn2c(N3CCN(c4ccc(C#N)cn4)CC3)nnc2C(C)(C)C)CC1 1359367059 BTKYSWXCDPJZNE-UHFFFAOYSA-N 450.591 2.427 30 10 JEEE Cc1cc(C)c(C#N)c(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)n1 1461483090 DJUUDKAWWSXDAO-UHFFFAOYSA-N 456.524 2.381 30 10 JEEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cc(C(=O)OC)cc(C(F)(F)F)c2)n1 1463635029 TUWSUCQDIOSTNN-UHFFFAOYSA-N 459.446 2.159 30 10 JEEE C=C(Cl)C[C@@H](NS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O)C(=O)OCC 1475578680 LHYLJQJKIHCJOR-MRXNPFEDSA-N 456.948 2.303 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@H]1CCN(CC)C1)[C@@H]1CCS(=O)(=O)C1 1507639097 JLRXEVOEODNERH-LEWJYISDSA-N 471.627 2.134 30 10 JEEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C(C)C)C1 1507964338 BCNQPALWOJIIII-MOPGFXCFSA-N 455.625 2.076 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccc(C)n2)n1C[C@]1(O)CCS(=O)(=O)C1 1507998486 BGRHHKWAQJTEAK-XMMPIXPASA-N 478.578 2.262 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1508093573 IYKFOQOILJYILL-GOSISDBHSA-N 469.571 2.450 30 10 JEEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 1508148572 UVOHDZBSXVRIKJ-UHFFFAOYSA-N 483.642 2.194 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC[S@](=O)C(C)(C)C 1508416096 DJJZEQUYJBFAOS-ZZQXMTQJSA-N 455.588 2.335 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@@H](C)N1CCc2ccccc2C1 1510192515 BWSRTUHAMSYHPE-IMWIBFENSA-N 485.658 2.465 30 10 JEEE C=C(C)Cn1c(SCC(=O)NC[C@H]2CCC[C@]23NC(=O)N(C)C3=O)nnc1-c1ccco1 1524726188 YECVNISTCNARBL-SZNDQCEHSA-N 458.544 2.043 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CCS(=O)(=O)N(C)C 1538992217 NKDSDZWULDSZGL-ZDUSSCGKSA-N 470.393 2.066 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1CCOCc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1539202898 MBSHQQNZMDUKKT-IBGZPJMESA-N 460.600 2.428 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1ccc(OC(C)(C)C)nc1)[C@H]1CCS(=O)(=O)C1 1539223088 ZCZMZCAALGJBCA-PMACEKPBSA-N 487.626 2.419 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCCN1CCCO 1539566001 BEEWRUTURQFBMC-WZONZLPQSA-N 456.616 2.109 30 10 JEEE C=C(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(S(=O)(=O)CC)CC1 1539698532 WYENQGNEJPNFCR-UHFFFAOYSA-N 466.633 2.218 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1540866432 NDGMJKBTWNOAMR-UHFFFAOYSA-N 489.367 2.141 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H]2CCCO2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1540881680 PQLGTARVUDLNQA-FXAWDEMLSA-N 461.588 2.213 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2CC(F)(F)C2(OC)CCOCC2)C1 1540889695 SBWGVGMENANVPI-QGZVFWFLSA-N 452.506 2.291 30 10 JEEE C#CCN(c1nnc(-c2ccccc2F)n1CCOc1ncccc1F)[C@H]1CCS(=O)(=O)C1 1588045289 IYZXJBBPGMOEPE-INIZCTEOSA-N 473.505 2.324 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1CCCCN1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1588049810 LNHQWIBGAMKPGS-JOCHJYFZSA-N 470.643 2.479 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1CCc1nc(C)c(C)s1)[C@H]1CCS(=O)(=O)C1 1588050692 UMBUYHOJBFYTFX-SFHVURJKSA-N 456.597 2.283 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCOC[C@@H]1CCCO1 1588144144 VFRKJURNWNENFS-LEWJYISDSA-N 487.601 2.245 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2CCCc2nc(C)no2)CC1 1588955482 YNSBVUXGGMYAOZ-UHFFFAOYSA-N 461.570 2.353 30 10 JEEE C#CCSCCn1c(N2CCC(CC(=O)N(C)C)CC2)nnc1[C@]1(OC(C)C)CCOC1 1589125248 IAPOKLZNELODPL-QHCPKHFHSA-N 463.648 2.380 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1589557232 HDJQLIZOHRDWNB-BWKNWUBXSA-N 481.645 2.236 30 10 JEEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC2(CC1)CNC(=O)C2 1593712041 QFQKOBVJTBTXIW-UHFFFAOYSA-N 473.599 2.048 30 10 JEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@](C)(O)c2ccc(F)cc2)CC1 1594181446 LJGBSLXIOWDCTL-VFNWGFHPSA-N 451.568 2.338 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(C2CCOCC2)CC1 1595497273 VXLWSYVAYYZUML-UHFFFAOYSA-N 476.528 2.150 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@@H](C(=O)OC)C1 1595805736 SVCHFDVETOYKMZ-MRXNPFEDSA-N 452.964 2.122 30 10 JEEE C#CCn1cc(CNC(=O)c2cc(S(=O)(=O)N3CCc4ccccc43)ccc2OC)cn1 1618800924 VFBIMDNHZSDLIV-UHFFFAOYSA-N 450.520 2.206 30 10 JEEE 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 1626456791 WKYXUMVDUQNTDS-YRXWBPOGSA-N 456.605 2.383 30 10 JEEE CC[C@@](NCC(=O)N1CCN(c2oc(C)nc2C#N)CC1)(C(=O)OC)c1ccc(Cl)cc1 1643059131 BWHJFHCLYDFMGX-QFIPXVFZSA-N 459.934 2.225 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2noc3c2COCC3)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1649541909 IZUKPFKOFCXVKN-LJQANCHMSA-N 471.606 2.351 30 10 JEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCCN(c2ccncc2)CC1 1654661634 HIWXZTGNXVBLBH-FQEVSTJZSA-N 455.584 2.418 30 10 JEEE C#CCCN(CCOC)C(=O)NCc1cccc(-n2cc(CNC(=O)OC(C)(C)C)nn2)c1 1674840892 DHMAUMHOSUBAIJ-UHFFFAOYSA-N 456.547 2.473 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1689986899 ZGAUSBIUZPISNA-ZWKOTPCHSA-N 488.614 2.222 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 1689998103 BLRRKQWOAFIDSW-FHWLQOOXSA-N 493.630 2.156 30 10 JEEE C#CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(C(=O)OC)CC1 1690156567 YSRVBOQFRNFYTM-UHFFFAOYSA-N 476.990 2.116 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CCc2ccccc2)nnc1N1CCN(C(=O)COC)CC1 1690251672 XSJMITCJSQUBCI-ZJSXRUAMSA-N 453.587 2.340 30 10 JEEE C=C(C)Cn1c(COc2ccccc2OC)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1690295600 DIOVJYDWJMICRY-SFHVURJKSA-N 454.575 2.231 30 10 JEEE C=CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC2(CC1)CNC(=O)C2)c1ccccc1 1690441890 ILLRMFHDVRAMIQ-AZUAARDMSA-N 486.642 2.355 30 10 JEEE C=CCCCCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1690465550 FMVZTXXAPUBTTB-SFHVURJKSA-N 457.604 2.343 30 10 JEEE C=CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1690536386 VHVATGPVDAFLEX-VFCVWQGGSA-N 471.562 2.197 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCC(NC(=O)CCC)CC1 1690723568 VXZUQUUDCQPTEE-UHFFFAOYSA-N 460.604 2.134 30 10 JEEE CC[C@H](C)[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1693933879 HKGKQHCEOXENAQ-UQBPGWFLSA-N 481.601 2.188 30 10 JEEE COc1cc(OC)cc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)c1 1697302419 BSORMYOHIGUNCB-PXDATVDWSA-N 499.591 2.347 30 10 JEEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1705551406 NEAOQOHVLHEDKH-HRCADAONSA-N 463.526 2.049 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@H]1CSCCS1)[C@@H]1CCS(=O)(=O)C1 1705565814 WMESAYUNKJVHJH-SJORKVTESA-N 478.665 2.429 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccc(Cl)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1705585831 LPRGUCAGWMBPOG-GOSISDBHSA-N 461.975 2.007 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2COc3ccccc3O2)n1CC1(CS(C)(=O)=O)CC1 1705597794 QNUVBTPGJDUEQL-HXUWFJFHSA-N 454.552 2.078 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2Cc2cnn(C)c2C)CC1 1705650840 AELUDIUNEDUUQX-UHFFFAOYSA-N 465.533 2.052 30 10 JEEE C#CCSCCn1c(COc2ccccc2F)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1705667044 ZYRQMTHMZGDOON-HSZRJFAPSA-N 486.573 2.177 30 10 JEEE C=C(Cl)Cn1c(COc2ccc(OC)cc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1705759392 OJEMXJPPHQFUKO-UHFFFAOYSA-N 460.922 2.139 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1705859534 BTQLVMBULRZAJR-HXUWFJFHSA-N 480.598 2.024 30 10 JEEE C=CCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1705892608 RTFYUOKGMFUIKY-UXHICEINSA-N 460.648 2.087 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC(Cn2cncn2)CC1 1705895678 OVZKHUZMGQCUCF-UHFFFAOYSA-N 472.500 2.357 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCCN(c2nc(CC)ns2)CC1 1705900999 XAXOPKTWUNUYKJ-UHFFFAOYSA-N 467.603 2.081 30 10 JEEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1705946329 FMYGTNZSOMSXOC-QZTJIDSGSA-N 487.692 2.314 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2C[C@]2(OC)CCOC2)c1 1722307575 PMZQWXTYOOHVRC-RUZDIDTESA-N 460.538 2.126 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccc(C)n3)n2CC2(S(C)(=O)=O)CC2)c1 1722309181 KDPWKYLSSMIQSB-UHFFFAOYSA-N 478.578 2.282 30 10 JEEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCNC(=O)c1cccs1 1722357089 ZGYHCCCROOPSDW-UHFFFAOYSA-N 477.638 2.204 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)C[C@H](C)C(=O)NC 1722507708 IWTABAVJTGJQFA-TYPHKJRUSA-N 482.633 2.252 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2csc(CC)n2)CC1 1722583287 RTNKFABVBKGURC-GOSISDBHSA-N 480.660 2.275 30 10 JEEE C=CCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1722623991 PYDVDGUOWGBVMN-UXHICEINSA-N 473.599 2.189 30 10 JEEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1ncccc1N(C)C 1722679539 DYXIYOABOZWDMA-UHFFFAOYSA-N 474.569 2.340 30 10 JEEE C=CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1722684232 CRNZWCPRNHNGIS-UHFFFAOYSA-N 451.535 2.412 30 10 JEEE CC(C)OC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(CS(C)(=O)=O)CC2)CCO1 1723700499 FSQHCYWAZDADCR-FQEVSTJZSA-N 473.599 2.272 30 10 JEEE CNC(=O)CC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCOC(C)(C)C2)CC1 1729691602 DKSQYEPMENWPTN-UHFFFAOYSA-N 465.602 2.280 30 10 JEEE COCC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CC[C@@H](C)C2)CC1 1730420366 FGKSACZMOODFTN-QUCCMNQESA-N 452.559 2.460 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CC(=O)NCCc1ccccc1 1740559235 ZLGUYQHVHQJKAY-QGZVFWFLSA-N 450.568 2.086 30 10 JEEE C#CCN(c1nnc(-c2ccc(Br)cc2)n1C[C@@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1740619710 QWGNOCHVTKEURB-RHSMWYFYSA-N 467.389 2.369 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC1(O)CC(OCC)C1 1740669250 TTXFHTCKVXXLCW-UHFFFAOYSA-N 464.570 2.455 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC)n2C[C@@H](c2cccc(C)c2)N2CCOCC2)CC1 1740705854 NFVBNRWAVZTCAX-QHCPKHFHSA-N 464.614 2.188 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1740707434 BSVUQFIADJLNAR-QFIPXVFZSA-N 492.624 2.354 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2CCN2CCOC(C)(C)C2)CC1 1740708704 ZPFYEFMLXUVWLJ-UHFFFAOYSA-N 478.641 2.140 30 10 JEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2c(F)cccc2Cl)CC1 1740716173 MSMOIBKLGXGELP-KRWDZBQOSA-N 490.992 2.351 30 10 JEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)NCc2ccc(F)cc2)CC1 1740716355 QGILHRFRSKJMTP-HXUWFJFHSA-N 484.601 2.268 30 10 JEEE C#CCSCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC(=O)N(C)C[C@@H]1C 1740718795 VRPXQRSOWYOSNI-KRWDZBQOSA-N 476.647 2.426 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)CCS(C)(=O)=O 1740753100 FRMOGDVRNIJIPK-BBRMVZONSA-N 472.409 2.498 30 10 JEEE C=CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1)c1ccccc1 1740855079 UDDXUDLEDIBTIT-JCHJZTRSSA-N 475.571 2.362 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1740969405 YZHSNEUSBHBRCD-XMMPIXPASA-N 452.559 2.090 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccn3C)n2CC2(NC(=O)OC(C)(C)C)COC2)C1 1740977437 VEKJINBYLKWIJG-QGZVFWFLSA-N 458.563 2.359 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1740989620 SQSDTNSUFBBQHX-LJQANCHMSA-N 494.017 2.027 30 10 JEEE C=CCS(=O)(=O)CCn1c(CSc2ccc(C)cc2)nnc1N1CCN2C(=O)OC[C@H]2C1 1740994167 NMPQHIHQSQEYJE-QGZVFWFLSA-N 477.612 2.120 30 10 JEEE CC(=O)NCCN(Cc1ccsc1)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(O)CCN(C)C1 1741122368 AWNBZPAEEDKXEB-XMMPIXPASA-N 479.610 2.088 30 10 JEEE C#CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@]2(CNC(=O)C2)C1 1748718060 MVSHJEALLDOVEZ-UUOWRZLLSA-N 472.590 2.106 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CCc1ccc(CC)cc1)[C@H]1CCS(=O)(=O)C1 1748806093 ZEXDMGUTDVWUBE-DHLKQENFSA-N 486.638 2.362 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCCc1nccs1)[C@@H]1CCS(=O)(=O)C1 1748819381 NYGUJZJBCGFNIJ-QGZVFWFLSA-N 476.653 2.350 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@](C)(O)c2ccccc2Cl)CC1 1749000898 DABMRVAJMPLLTF-NSXLHWASSA-N 474.005 2.318 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@]2(O)CCC[C@H]2C)CC1 1749001276 OSHREUSRTVEVMU-MVOHMCPASA-N 472.634 2.355 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC[C@@](C)(O)c2ccccc2)CC1 1749003456 KONHFIHIGVPOJP-KAYWLYCHSA-N 495.624 2.194 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](C)N2CCC[C@@H](C)C2)CC1 1749015783 NGBWVLYCKXFABY-DENIHFKCSA-N 480.661 2.226 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1CC1(O)CCS(=O)(=O)CC1 1749158562 IUXRUMQNRQVKRT-IBGZPJMESA-N 462.572 2.133 30 10 JEEE C=C(C)COCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCSCC1 1749216779 SVFFVFORAXXFHM-UHFFFAOYSA-N 451.618 2.341 30 10 JEEE C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1)c1ccccc1 1749242154 DGPPDCUNUSIZKJ-JAXLGGSGSA-N 488.658 2.149 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@@H](NC(C)=O)C1 1749727170 OSMRTFKVXNJRQI-LJQANCHMSA-N 468.583 2.199 30 10 JEEE C[C@H](Oc1ccccc1F)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1751270552 AQFNAKUFKDVUFV-ZJOUEHCJSA-N 499.591 2.229 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3OCC[C@H]3COC)n2CCn2ccnc2C)c1 1760127946 RRYLQWPXYXHAQR-REWPJTCUSA-N 477.569 2.263 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1CCCc1nc(C)no1)[C@@H]1CCS(=O)(=O)C1 1760183338 AUNKVPFZWQSUPG-GOSISDBHSA-N 454.556 2.204 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1CCCN1CCCCCC1=O)[C@H]1CCS(=O)(=O)C1 1760185180 RIQXHSHXCGLABW-FQEVSTJZSA-N 499.637 2.373 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccc(C(C)(F)F)cc1)[C@H]1CCS(=O)(=O)C1 1760186864 AZRFWLVJQKBPPG-IBGZPJMESA-N 474.537 2.465 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@](C)(O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1760189977 MSUWQFPBHXMKDB-REWPJTCUSA-N 470.620 2.465 30 10 JEEE C#CCN(c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1CC1)[C@@H]1CCS(=O)(=O)C1 1760190041 XNVOYQZZXSAMRJ-RBUKOAKNSA-N 477.631 2.429 30 10 JEEE C#CCN(c1nnc(C2CC2)n1CCc1ccc(OCC(F)(F)F)nc1)[C@H]1CCS(=O)(=O)C1 1760190123 YHWLGTSBMHFCGK-KRWDZBQOSA-N 483.516 2.361 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H](C1CCCCC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1760190192 UDNWISSSFVCGSF-VXKWHMMOSA-N 470.643 2.477 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC[S@](=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1760192981 QJNKQBKNEDDIKF-BLJJJGSPSA-N 498.715 2.371 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCC[C@H](C)C1 1760203907 UXCYRWMIHFKYMJ-LEWJYISDSA-N 470.618 2.391 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1760254276 SIOBHYSONKOTLK-DFIYOIEZSA-N 469.586 2.112 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccccc3Br)n2C[C@H]2CCCCS2(=O)=O)CC1 1760259127 YXPDVNRNWJDPKS-QGZVFWFLSA-N 492.443 2.430 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2CCCN2CCCO[C@@H](C)C2)CC1 1760268379 QWTBNMGPPICDIR-NRFANRHFSA-N 464.614 2.412 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2C[C@H](OC)C(C)C)CC1 1760269190 BDVXYLLMPVDKJU-VXKWHMMOSA-N 467.570 2.427 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCn2ccnc2C)CC1 1760270973 GXQBXPYOJDMIBU-UHFFFAOYSA-N 486.580 2.290 30 10 JEEE C#CCSCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1760279423 CWDGOHOHMRZOIX-IBGZPJMESA-N 466.567 2.308 30 10 JEEE CC(=O)N[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@](C)(O)c2ccco2)C1 1760643675 BMWDOYCVNIOPPW-YADARESESA-N 464.526 2.334 30 10 JEEE Cc1csc(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)C2CCN(S(C)(=O)=O)CC2)n1 1762233087 FORFGAMGAVDIBB-UHFFFAOYSA-N 471.612 2.490 30 10 JEEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2cccc(C)n2)C1 1767263991 BRKQUXXETGMRLD-QFIPXVFZSA-N 495.609 2.193 30 10 JEEE CSC1(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@@H](C)CC(N)=O)CCN(C)CC1 1771416209 FMELEJZCNHRTPV-KRWDZBQOSA-N 471.631 2.256 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)C[C@H]1CCOC1 1772567146 KFYVNMHRISJUDK-QZTJIDSGSA-N 462.595 2.168 30 10 JEEE CCN(C(=O)c1nc(C(=O)Nc2cccc(C#N)c2)c2ccccn12)[C@H]1CCS(=O)(=O)C1 1858241768 CYVBGNPXJGIHAC-KRWDZBQOSA-N 451.508 2.107 30 10 JEEE C=CCNC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@H]1CC(=O)N(c2cc(Cl)ccc2OC)C1 1861601530 BRTIQFJXTZEJGW-QFBILLFUSA-N 471.941 2.437 30 10 JEEE COc1cc([C@@H]2C(C(=O)c3c(F)cc(F)cc3F)=C(O)C(=O)N2CCO)cc(OC)c1O 1862463193 PMVDMBWXSKRHRG-QGZVFWFLSA-N 453.369 2.397 30 10 JEEE COCCCN1C(=O)c2ccc(C(=O)Nc3c(C#N)nnn3-c3ccc(N(C)C)cc3)cc2C1=O 1870141834 MQOJCOZLTPAZNA-UHFFFAOYSA-N 473.493 2.090 30 10 JEEE Cc1cccc(-n2nnc(C#N)c2NC(=O)CCCN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)c1 1870155627 XDJHGKJICYLAME-UHFFFAOYSA-N 459.422 2.371 30 10 JEEE COc1cc(OC)cc(-n2nnc(C#N)c2NC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])c1 1870157653 ZVAXFFCXJVUTAK-UHFFFAOYSA-N 454.399 2.334 30 10 JEEE C=CCn1c(C(=O)N(CCO)CCO)cc2c(N3CCN(c4cccc(Cl)c4)CC3)ncnc21 1873561466 ZZICDLQTSNFIEI-UHFFFAOYSA-N 484.988 2.024 30 10 JEEE COc1ccc(N2C[C@H](c3nnc(SCC(N)=O)n3/N=C/c3ccc(N(C)C)cc3)CC2=O)cc1 1874199286 KGIZREOKNIMLDD-FCLYZYNOSA-N 493.593 2.333 30 10 JEEE CN1CCN(CC#CCOC2CCN(C(=O)c3nc(Cl)ccc3Br)CC2)CC1 1891049377 CUTNAGMIHCBFPV-UHFFFAOYSA-N 469.811 2.370 30 10 JEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](C(=O)Nc2ccc(C#N)c(Br)c2)C1 2197774199 WMAFXYWWIVXAPP-CQSZACIVSA-N 458.334 2.293 30 10 JEEE CC1(C)OB(c2ccoc2C(=O)NC[C@@H]2CN(C(=O)OCc3ccccc3)CCO2)OC1(C)C 2255815859 UUHJYDZHPHUMAT-GOSISDBHSA-N 470.331 2.346 30 10 JEEE COC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)Oc1nccc(B2OC(C)(C)C(C)(C)O2)c1F 2266001677 FDWMIPONKDRPMT-WFASDCNBSA-N 454.304 2.354 30 10 JEEE Cc1cc(S(=O)(=O)NC2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)sc1B1OC(C)(C)C(C)(C)O1 2267357468 AOYXSASJWSSYCA-ZIAGYGMSSA-N 484.449 2.499 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H]1CNS(=O)(=O)Cc1ccccc1B1OC(C)(C)C(C)(C)O1 2267468184 TVMDCVWVASOITL-QGZVFWFLSA-N 466.409 2.415 30 10 JEEE CC1(C)OB(c2cscc2S(=O)(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)OC1(C)C 2267470685 AWCXXCCYUOIWHX-GOSISDBHSA-N 478.445 2.227 30 10 JEEE Cc1c(C(=O)N[C@H]2C[C@H](F)CN(C(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281794695 KDYYSXKNSRAGCL-GJZGRUSLSA-N 466.363 2.105 30 10 JEEE Cc1oc(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 2281805884 FEGMOBVCVWJLSW-GVDBMIGSSA-N 462.352 2.251 30 10 JEEE Cc1c(C(=O)NC[C@@H]2[C@H]3C[C@@H]3CN2C(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281807466 QGUADHBOIIKSSU-OWCLPIDISA-N 460.384 2.013 30 10 JEEE Cc1c(C(=O)N[C@H]2C[C@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281810402 OUOAXYBIIIQLMT-HRCADAONSA-N 460.384 2.155 30 10 JEEE Cc1c(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H]3CC[C@@H]32)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281984342 BZKJGMUFNCHVDI-HOTGVXAUSA-N 460.384 2.252 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H]3CC[C@H]32)n1 2281991641 CUVIHBJQMSHUQD-SJORKVTESA-N 460.384 2.426 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCCO[C@@H]2[C@H]1NC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2282003505 CHJXBQNBHQBWQT-UKMLZYKCSA-N 479.408 2.243 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@H]2CCN(C(=O)c3ccoc3B3OC(C)(C)C(C)(C)O3)C[C@H]21 2282203663 PLJHPCZUORXGDC-IAGOWNOFSA-N 462.352 2.429 30 10 JEEE CC1(C)OB(c2cnc(C(=O)N[C@H]3CCOC[C@@H]3NC(=O)OCc3ccccc3)c(F)c2)OC1(C)C 2282536052 XESLINDCVHVASZ-PMACEKPBSA-N 499.348 2.334 30 10 JEEE Cc1c(C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282558263 HJEHZQCVHUPJLV-VQTJNVASSA-N 450.392 2.374 30 10 JEEE CCc1nn(C)c(C(=O)N[C@H]2CC[C@H]2CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2282559154 NMOJALUVTOLIES-HOCLYGCPSA-N 462.400 2.315 30 10 JEEE CCc1nn(C)c(C(=O)N[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2282560130 MCJDOHXHTRWIBE-HUUCEWRRSA-N 462.400 2.457 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@H]2CCN(C(=O)c3csnc3B3OC(C)(C)C(C)(C)O3)C[C@@H]21 2282614707 UDQZDKDKSJFHPZ-JKSUJKDBSA-N 479.408 2.293 30 10 JEEE CC(C)(C)OC(=O)N1CC2(C1)CN(S(=O)(=O)c1ccc(B3OC(C)(C)C(C)(C)O3)cc1F)C2 2282829426 DSSKFUYVUKNXQK-UHFFFAOYSA-N 482.383 2.366 30 10 JEEE CC[C@H]1CN(S(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CCN1Cc1ccccc1 2282842119 SYSLYGXIGFFYMV-IBGZPJMESA-N 474.436 2.004 30 10 JEEE CC(C)(C)OC(=O)NCc1nc(=NS(=O)(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)s[nH]1 2282865778 YRIGUSWXZBBYRY-UHFFFAOYSA-N 496.420 2.085 30 10 JEEE COc1ccc(NC(=O)[C@@H]2COC[C@@H]2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2283968962 HJMQSKLYZXGSCJ-QAPCUYQASA-N 462.352 2.473 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)N2CCc3c(B4OC(C)(C)C(C)(C)O4)cccc32)C1 2284045341 LJXXPLCZYIXOOS-DEOSSOPVSA-N 458.364 2.247 30 10 JEEE CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1sc(C)cc1B1OC(C)(C)C(C)(C)O1 2284058511 NCINXRVHAFCGIN-INIZCTEOSA-N 482.408 2.428 30 10 JEEE CN[C@H](C#Cc1cccc(Br)c1)[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 2296224034 GNTGSZSOAMTUPZ-IAGOWNOFSA-N 457.390 2.423 30 10 JEEE CCCN1C(=O)[C@@]2(C(=C(O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCOC)c2ccccc21 2297746659 XRHJDDFKPVSQID-SANMLTNESA-N 478.501 2.437 30 10 JEEE CO[C@@H](CNC(=O)OC(C)(C)C)CNC(=O)c1c(F)cccc1B1OC(C)(C)C(C)(C)O1 2339942453 JNRAZAFAQLRQBJ-CQSZACIVSA-N 452.332 2.394 30 10 JEEE CCc1nc(C(=O)NC[C@@H](CNC(=O)OC(C)(C)C)OC)c(B2OC(C)(C)C(C)(C)O2)s1 2339944891 VIYXKNMEHFZYQB-ZDUSSCGKSA-N 469.413 2.274 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(C)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1F 2369669047 IAFRDUKISNVLPF-JKSUJKDBSA-N 466.363 2.232 30 10 JEEE COC[C@@]1(C(=O)O)CCN(C(=O)C#CCNC(=O)OCC2c3ccccc3-c3ccccc32)C1 757472866 BXKVSURLJQVRCF-AREMUKBSSA-N 462.502 2.478 30 10 JEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCCN([C@H](C)c3ccc(F)cc3)C2=O)c1 1141377930 FIKIWWRPDLCQHL-IIBYNOLFSA-N 457.527 2.219 30 10 JEEE C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2c(C)oc(C)c2C(=O)OC)CC1)c1ccccc1 1230488726 BNAVLCMILMJJQT-GOSISDBHSA-N 459.524 2.073 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CC2(CC)CCOCC2)c1 1286310020 QYNIPRQDHLAREH-HXUWFJFHSA-N 464.570 2.492 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1CC(C)(C)CN(C)C)[C@H]1CCS(=O)(=O)C1 1286386793 HPDDGYJQKULAHK-SFHVURJKSA-N 459.616 2.168 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@@H]1CCN(CCC)C1)[C@H]1CCS(=O)(=O)C1 1286390707 FERHAKOYHDROEK-UXHICEINSA-N 461.657 2.289 30 10 JEEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1CC1CN(C(=O)OC(C)(C)C)C1 1286469094 QKFLTOVHFQMWLO-UHFFFAOYSA-N 457.579 2.093 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2CCNc2nccc(C(F)(F)F)n2)CC1 1286486076 HJMXXTZUUYKQQZ-UHFFFAOYSA-N 464.496 2.288 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)c[nH]2)n1CCOCCS(C)(=O)=O 1286516246 YZKGOPYMWFWTOV-GOSISDBHSA-N 470.393 2.089 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCCN(CC(F)(F)F)CC1 1286548296 SKENKTOCNYZESE-IAGOWNOFSA-N 458.529 2.472 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCN(c2nccnc2C)CC1 1286550073 CBWWZXVZJNLTCM-HKBOAZHASA-N 471.606 2.408 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 1286609254 YVRVCFLZQIWJRA-ROUUACIJSA-N 483.635 2.219 30 10 JEEE C=CCC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1286674557 GOVGSSHBCGSYNM-SFHVURJKSA-N 466.594 2.274 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCOC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1286744711 KTWALGAEPVIRDM-PKOBYXMFSA-N 463.579 2.395 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)N2CCOCC2)C1 1286813480 VTHXJDDFNXPJLB-SIKLNZKXSA-N 452.559 2.231 30 10 JEEE C[C@@H]1COCCN1CCn1c(-c2cccc(Br)c2)nnc1N1CCO[C@H](C#N)C1 1291306575 BRWVNGZGWWPUAX-CRAIPNDOSA-N 461.364 2.157 30 10 JEEE CCN(CC)C(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCc2c[nH]nc2C)CC1 1295335913 HUBKINBTQZWYBW-UHFFFAOYSA-N 489.628 2.472 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCN(C)[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1300481966 CXDBHOHDYPEXCV-QUCCMNQESA-N 459.616 2.311 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(Cl)s1)[C@@H]1CCS(=O)(=O)C1 1300482709 GZYXPHMKRGWDEJ-QRWLVFNGSA-N 485.031 2.320 30 10 JEEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1CCC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1300504798 SQGPZBYKUIFCTR-IBGZPJMESA-N 460.600 2.262 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@H]1CCS(=O)(=O)C1 1300578812 HJPWWFCIDIYQQH-IBGZPJMESA-N 492.605 2.134 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CC[C@H](CO)O1 1300595830 RAEGLXWMUKQLNS-ZCNNSNEGSA-N 457.575 2.353 30 10 JEEE C#CCSCCn1c(-c2cccnc2)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1300754201 LQNXYHIRARFHPP-UHFFFAOYSA-N 486.598 2.357 30 10 JEEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(CN2CCOCC2)CCCCC1 1301293575 CWMUYFKXEXDZCX-IBGZPJMESA-N 451.637 2.085 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(CN2C[C@H](C)O[C@H](C)C2)CC1 1301485040 QDJBNIGBVMFTLX-KDURUIRLSA-N 497.600 2.481 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CCC2(CC1)COC(=O)N2 1301485659 ZVOAAHVEXSJWRS-UHFFFAOYSA-N 475.347 2.089 30 10 JEEE CC(C)[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1301980361 BOCUCLXYVYNWAM-RXFWQSSRSA-N 479.629 2.357 30 10 JEEE C[C@H]1CCC[C@@](Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCNS(C)(=O)=O)(N(C)C)C1 1304983029 IFOBDOBUXZHSET-FDDCHVKYSA-N 473.647 2.313 30 10 JEEE CCn1cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(Cc2ccc(C#N)cc2)C2CC2)cn1 1313839976 BJXZQAOGOBHXPD-INIZCTEOSA-N 468.587 2.194 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCS(C)(=O)=O 1358888425 MSRMQWQIZONBQA-IAGOWNOFSA-N 453.609 2.285 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CCCC(=O)NC1CC1)[C@H]1CCS(=O)(=O)C1 1358958720 UUKLACNWMZRLPJ-IBGZPJMESA-N 476.002 2.284 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@H](C)N(C)C1CC1)[C@H]1CCS(=O)(=O)C1 1358959032 AMZQITKYLRQANS-HKUYNNGSSA-N 457.600 2.063 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccsc1)N(CC)CC 1358978112 DICXKMCJPFEINJ-PMACEKPBSA-N 459.641 2.398 30 10 JEEE C#CCSCCn1c(-c2cnccn2)nnc1N(C)CCN1CCN(c2ccccc2)CC1 1359054626 BHHKOFLYBMMDTK-UHFFFAOYSA-N 462.627 2.360 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N(C)C1CCC(NC(C)=O)CC1 1359103125 KHPRFYRJTWLRAH-VXDFMKHQSA-N 458.607 2.265 30 10 JEEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(Cc2cc(C)no2)CC1 1359126259 KIFYFZBVLNUVCE-UHFFFAOYSA-N 466.546 2.137 30 10 JEEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1359133234 NWOZWAZEOXRDRY-NRFANRHFSA-N 457.623 2.437 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCN(CC(C)C)C2)C1 1359322458 WBFXOHTZJJMUBO-PWRODBHTSA-N 465.664 2.330 30 10 JEEE C=CCS(=O)(=O)CCn1c(Nc2cnn(C)c2)nnc1-c1cc(Br)cn1C 1359335938 ZCCWHZUEUQJFCE-UHFFFAOYSA-N 454.354 2.124 30 10 JEEE C[C@@H](CC(=O)NCC(=O)Nc1cccc2ccccc12)/N=C1/NS(=O)(=O)c2ccccc21 1442874136 FWBGRNNYJCRHFJ-HNNXBMFYSA-N 450.520 2.412 30 10 JEEE Cc1nsc(N2CCN(C(=O)NCc3cccc(CN4CCN(C)CC4)c3)CC2)c1C#N 1477770921 BWRBIDTYSSFKQI-UHFFFAOYSA-N 453.616 2.102 30 10 JEEE CC[C@H](C)NC(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1496247930 FWQFJTSQXOTKML-LAUBAEHRSA-N 462.558 2.433 30 10 JEEE C#CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCCN1CCC(O)CC1 1507611111 LTHBPARTQWKXIL-UHFFFAOYSA-N 460.623 2.309 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H](C)CN1CCN(CC)CC1 1507659379 TUCHCCSNVDIOBO-ZLNRFVROSA-N 497.688 2.395 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1CCN(CCN(C)C)CC1 1507669259 UCJIWBZIVRGGFA-UHFFFAOYSA-N 476.625 2.453 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCC[C@H]2CCCCO2)CC1 1507734345 VUMFNTBPMJJGSV-HXUWFJFHSA-N 479.585 2.241 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(F)cc2C(F)(F)F)CC1 1507737502 AMISQIJPGRQAMM-GOSISDBHSA-N 492.477 2.401 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCOc2ccc(Cl)cc2)CC1 1507738913 HUMQQFMTBXCRFN-GOSISDBHSA-N 457.962 2.480 30 10 JEEE C#CCSCCn1c(-c2ccccc2Br)nnc1N1CCN(CCOC)C(=O)C1 1507747101 FDWAZNVQZWBHNQ-UHFFFAOYSA-N 478.416 2.369 30 10 JEEE C=C(Br)Cn1c(Cc2ccccn2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1507787234 GRTBDGFTFQZPCR-SFHVURJKSA-N 452.378 2.188 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 1507791708 QIQLNSUORUOYJJ-KPFFTGBYSA-N 490.630 2.242 30 10 JEEE C=C(C)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCC(NS(C)(=O)=O)CC1 1507830201 XNTPLQFJGIJWMP-UHFFFAOYSA-N 485.614 2.159 30 10 JEEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 1507832291 XVBMNWHSPGFDAV-QGZVFWFLSA-N 453.609 2.497 30 10 JEEE C=C(C)COCCn1c(CC(C)C)nnc1N1CCN(c2cc(N3CCOCC3)ncn2)CC1 1507845462 GXMIISOOXGHGCD-UHFFFAOYSA-N 470.622 2.023 30 10 JEEE C=C(Cn1c([C@H](C)CC)nnc1N1CCN(C(=O)CN2CCOCC2)CC1)c1ccccc1 1507853544 FJGPNQHJDMJTDJ-HXUWFJFHSA-N 452.603 2.486 30 10 JEEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1507953911 JMGMHCZIKGBHMK-HXUWFJFHSA-N 464.680 2.141 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCN(C(=O)c2ccsc2)CC1 1508095550 XOEUHMOAAFITLA-UHFFFAOYSA-N 484.557 2.322 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C)c2c(C)noc2C)C1 1508110833 UWWXNCSCYYACGO-JLJPHGGASA-N 452.581 2.078 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cc(C(C)(C)C)no2)C1 1508111510 ZFSVERGNUZHPFH-GJZGRUSLSA-N 452.581 2.003 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F 1508145276 ZBQUVMUMROHMRJ-UHFFFAOYSA-N 483.520 2.253 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CCN1CCCCC1 1509683133 ICAZLIYHSZGULU-UHFFFAOYSA-N 468.581 2.240 30 10 JEEE CCc1ccc([C@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)N(C)C)cc1 1513622696 HCXCKMONLIBKQG-QTEQDKRBSA-N 474.606 2.487 30 10 JEEE CCN1C[C@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC(=O)N(CCOC)C2)C[C@H]1C 1515822041 GZPDPPAGFLLIJL-RZUBCFFCSA-N 495.628 2.143 30 10 JEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1539072658 TXWGVEUFZTYTOC-KURKYZTESA-N 465.620 2.333 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCCOCC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1539213165 WPJMXYSSVKWINB-HSZRJFAPSA-N 497.621 2.277 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CC[C@@H]1CCO[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1539224019 BRRXQWIPSURVMC-SFHLNBCPSA-N 457.600 2.096 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(Br)c3)n2CCCN2CCOC2=O)CC1 1539434975 ZSEDZRODCWKWIB-UHFFFAOYSA-N 473.375 2.305 30 10 JEEE C=C(C)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1539686367 QZZDJUQLZKTUPP-INIZCTEOSA-N 466.633 2.136 30 10 JEEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1539729448 PZPBNGUUQYWSGD-IEBWSBKVSA-N 464.588 2.181 30 10 JEEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1539967381 QKSWVOZUWJGMLP-OAQYLSRUSA-N 492.690 2.061 30 10 JEEE C=CCCOCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCN(C)C(=O)[C@@H]1C 1540033259 CHANBVJYZKGGMQ-SFHVURJKSA-N 479.585 2.325 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC(=O)NCC2CC2)C1 1540882845 PGZAXFLTHDERDU-HXUWFJFHSA-N 452.559 2.455 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCC(Cn2cc(C)cn2)CC1 1540907432 WWLMYEADIGPDLI-UHFFFAOYSA-N 486.646 2.162 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1C[C@H]1CCN(c2ccccc2F)C1 1541920731 CKLKRSQXSIOIKP-AEFFLSMTSA-N 475.594 2.294 30 10 JEEE COC[C@@H]1CN(C(=O)Cn2c(C)cc(C)nc2=O)CCN1c1ccc(C#N)c(C(F)(F)F)c1 1548402392 HATIHXORORWUSZ-SFHVURJKSA-N 463.460 2.114 30 10 JEEE CC(=O)c1ccc(S(=O)(=O)NCC(=O)N[C@H](C#N)c2ccccc2Br)cc1 1585455202 BXKRJQBMWKHSBN-QGZVFWFLSA-N 450.314 2.311 30 10 JEEE C#C[C@H](NC(=O)c1cc(I)ccc1N1CCOCC1)C1CCOCC1 1586729804 GJMUSNGJOTZIIZ-KRWDZBQOSA-N 454.308 2.286 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2Cc2cccnc2-n2cccn2)c1 1587697365 OWXSDQBXFDQORY-UHFFFAOYSA-N 470.537 2.500 30 10 JEEE C#CCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1587718848 NZLDFQVWFTWEQI-UHFFFAOYSA-N 454.538 2.441 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1588030456 VTAGVCWGNQZKCB-ZJBJCVSYSA-N 464.563 2.345 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H]1CCCN(CC(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1588045200 HBMQDLHQVVQTSR-NHCUHLMSSA-N 472.659 2.278 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@](C)(O)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 1588065439 YQFPKYQDSMFPLH-XUZZJYLKSA-N 471.627 2.222 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@]2(O)CCSC2)CC1 1588762885 OWKHYCOTBDESDN-HXUWFJFHSA-N 480.407 2.470 30 10 JEEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2Cc2cccc(C(=O)N(C)C)c2)CC1 1588857472 NVCRLBQBEZKJCB-UHFFFAOYSA-N 463.611 2.139 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCC[C@@H](C)C2)CC1 1588962301 ZANWOYPVKHWICF-OAQYLSRUSA-N 489.624 2.426 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1588975793 MBVJOWDEJUGNCZ-QGZVFWFLSA-N 455.588 2.177 30 10 JEEE C=C(C)COCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@@H](C(=O)OC)C1 1593746778 NBCBFMUVWZQLNW-LJQANCHMSA-N 455.563 2.044 30 10 JEEE C=CC[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)NC(C)C)CC1)c1ccccc1 1594544853 NKMCXLWXFMHGEW-FCHUYYIVSA-N 479.629 2.236 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(CC(C)C)C(=O)C1 1595475477 CSUCNCINMGWPDS-QGZVFWFLSA-N 458.538 2.164 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC(NC(=O)c2ccc(F)cc2)CC1 1595545248 SVGPHEIEQBJIFR-FQEVSTJZSA-N 470.549 2.360 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN(C)Cc2ccc(F)cc2)C1 1595722537 KTGMDCQEEGYVRY-FPOVZHCZSA-N 477.606 2.233 30 10 JEEE CC(C)(C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1596950904 BVAZGITZRJWPIB-UHFFFAOYSA-N 486.580 2.336 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CCSC3(CC(C(=O)OC)C3)C2)s1 1603502851 XTPBNXGGBMUCDP-SHYRYGCCSA-N 458.627 2.089 30 10 JEEE CC[C@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@H]1CCOC[C@H]1OC 1613314237 HAOOBRJPXQXUIG-ILZDJORESA-N 456.595 2.083 30 10 JEEE CCS(=O)(=O)N(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C2CC2)O[C@H](C)C1 1617345717 BIRAXCDYJILBNQ-DYESRHJHSA-N 472.615 2.492 30 10 JEEE CNC(=O)C(C)(C)Cn1c(-c2ccc[nH]2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1618508730 DEKJAADSYQTKDO-UHFFFAOYSA-N 450.522 2.383 30 10 JEEE COC(=O)N1CCC(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCN2CCOCC2)CC1 1618889072 HRJROFVDQVVTGT-UHFFFAOYSA-N 467.574 2.064 30 10 JEEE CO[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1)C(C)C 1618976716 HKRNWUYAARTDBD-RTWAWAEBSA-N 452.559 2.315 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)s1 1652162978 XRRGVXXFPFKNCJ-HUUCEWRRSA-N 457.618 2.374 30 10 JEEE CCn1cc([C@H]2C[S@@](=O)CCN2S(=O)(=O)c2ccc(C#N)c(Br)c2)cn1 1668951457 ARWVSQKOPJSIRQ-CPJLOUKISA-N 457.375 2.031 30 10 JEEE C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@H](CN2CCN(C)CC2)c2ccccc2)cc1 1670221899 DCUWLORKKJUIDZ-GCJKJVERSA-N 455.584 2.483 30 10 JEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2ccccc2C)CC1 1689877372 XJLAKJXKMFBUGC-HXUWFJFHSA-N 458.632 2.322 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1cccnc1OCC(F)F)[C@H]1CCS(=O)(=O)C1 1689979766 GVIFQUVSJYULSH-INIZCTEOSA-N 467.542 2.290 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1CCOc1cccc(C(F)(F)F)n1)[C@@H]1CCS(=O)(=O)C1 1689994312 VZFPQHIBYILVMD-MRXNPFEDSA-N 483.516 2.350 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCOc2ccc(F)c(F)c2)CC1 1690132695 WSVIZMAEFDHERR-UHFFFAOYSA-N 486.548 2.382 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCCNS(=O)(=O)CC 1690189134 UHIGGJZGVOZYQZ-HSZRJFAPSA-N 472.615 2.469 30 10 JEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCn2c(O)nc3ccccc32)CC1 1690396491 DDVYAYDREAORLE-OAHLLOKOSA-N 459.576 2.046 30 10 JEEE C=CCCCn1c([C@@H]2CCCCO2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1690483585 SEPRNJCIOUYEFD-SFHVURJKSA-N 463.608 2.039 30 10 JEEE C=CCN(CCOC)c1nnc(-c2ccc3ccccc3n2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1690615541 JOSMBKCHGAXIID-SFHVURJKSA-N 470.599 2.414 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1690725015 BOQRDQQJTZAXOF-OPAMFIHVSA-N 482.553 2.132 30 10 JEEE CCCC(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2COCCO2)C1 1695025252 HWGLNWCGLPBGCR-FPOVZHCZSA-N 452.559 2.365 30 10 JEEE CN(C)S(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(Cc2ccsc2)CC1 1696622835 CPODAEDWNQAEPP-UHFFFAOYSA-N 485.639 2.092 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccc(C(F)(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 1705558613 COWJBXCAIFVZCP-QGZVFWFLSA-N 483.516 2.110 30 10 JEEE C#CCN(c1nnc(CC)n1Cc1ccnc(OCc2ccccc2)c1)[C@H]1CCS(=O)(=O)C1 1705570094 KGDOMQOAFRSPFG-NRFANRHFSA-N 465.579 2.490 30 10 JEEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCO[C@@H]1c1ccc(C)cc1 1705573275 DBOMEHWBASKYQZ-KSEOMHKRSA-N 469.611 2.437 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCC(=O)NCCC)CC1 1705639033 DPLHMVUOXYVYDH-FQEVSTJZSA-N 487.649 2.064 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2CCc2ccc(OCCN(C)C)cc2)CC1 1705639935 ZJYFCHWTNVELGI-XMMPIXPASA-N 466.630 2.458 30 10 JEEE C#CCSCCn1c(-c2cc(Br)cn2C)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1705655066 BZSDYPHAXVGNCH-INIZCTEOSA-N 496.456 2.039 30 10 JEEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](CC(N)=O)C1 1705732393 XWDDRZANWPOKMY-KRWDZBQOSA-N 461.588 2.033 30 10 JEEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)CC(C)(C)C1 1705830428 PINRQJRXAFNFEE-ZWKOTPCHSA-N 455.625 2.076 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)c1ccccc1F 1705844245 YFKFXRBODLFJQM-SFHVURJKSA-N 451.568 2.350 30 10 JEEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@]1(O)CCC[C@H]1C 1705883461 JADGWCDQOFSQOZ-OSPHWJPCSA-N 452.559 2.382 30 10 JEEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1705888114 FVWCPRPVMUJERB-SFHVURJKSA-N 474.631 2.370 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1705895572 LLNSBUQEDYVPST-CYBMUJFWSA-N 459.352 2.065 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1705898574 QCWQLVVNMMFEBB-JKSUJKDBSA-N 456.572 2.053 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1CCCN(C(=O)C2CC2)CC1 1705908451 PYUDGWLYGHYSKO-UHFFFAOYSA-N 484.626 2.330 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CC(C)(C)N2C[C@H](C)O[C@H](C)C2)C1 1705929207 LJSOOKSBCJVFIL-HSALFYBXSA-N 460.623 2.070 30 10 JEEE C=CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1705943657 HOEYXPTWJJSZPT-SFHVURJKSA-N 481.626 2.416 30 10 JEEE CC(C)NC(=O)c1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1CCCN1CCOC1=O 1706591154 GKZWKBTZFOOEOH-UHFFFAOYSA-N 451.531 2.299 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3csc(C)n3)n2C[C@H]2CCS(=O)(=O)C2)c1 1722307649 SLAITXPKHHRKBI-GOSISDBHSA-N 498.634 2.125 30 10 JEEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1CCCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1722372317 UHBVRMYAOKREOT-CQSZACIVSA-N 489.545 2.239 30 10 JEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(C[S@@](C)=O)cc1 1722387374 UTKAZHDARHMGRS-JGCGQSQUSA-N 465.604 2.269 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1722391710 SHYPNTLLDMMHQQ-UYAOXDASSA-N 473.574 2.444 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H](C1CC1)N(C)C 1722395106 QGKWONHIVKMRBN-HXUWFJFHSA-N 467.643 2.350 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(OCC)cc3)n2C[C@@]2(O)CCSC2)CC1 1722431994 UQOGYFMEWIPVFS-DVECYGJZSA-N 471.627 2.440 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2csc(COC)n2)CC1 1722444903 IDJDFQOWXCQELD-UHFFFAOYSA-N 475.578 2.434 30 10 JEEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1722524035 IAMHGOBQBNGNQT-DLBZAZTESA-N 469.608 2.176 30 10 JEEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1722599008 FNFWVNGPCPWIKO-KRWDZBQOSA-N 478.619 2.417 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)cc(OC)c2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1740536400 GEKQAXXZTLDFEU-PGRDOPGGSA-N 468.602 2.363 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1CC1(O)CCS(=O)(=O)CC1 1740540775 YYJHQDHHHSISGH-CQSZACIVSA-N 497.415 2.114 30 10 JEEE C#CCN(c1nnc(-c2c[nH]c3ccccc23)n1CCCNC(=O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1740622947 LNAIALDADAOAJM-GOSISDBHSA-N 482.610 2.215 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H](C)Oc2ccccc2)CC1 1740709602 JEYNLMHZWIJNNX-RRPUWOKSSA-N 481.597 2.435 30 10 JEEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCSCC1 1740712088 WNBBVEMBZDRLJQ-UHFFFAOYSA-N 451.643 2.115 30 10 JEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCOc2ncccc2Cl)CC1 1740833436 PUOHUCJYQKTRAZ-AWEZNQCLSA-N 454.984 2.418 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c(C2CC2)nnc1N1CCN(C(=O)N2CCOCC2)CC1)C(C)C 1740926623 IJFYQJOLFHNVAR-QFIPXVFZSA-N 471.650 2.428 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@](C)(C(=O)NC)C1 1740969403 YZHSNEUSBHBRCD-DEOSSOPVSA-N 452.559 2.090 30 10 JEEE COc1ccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2CCNS(C)(=O)=O)cc1Br 1748636690 CDGAUMRUINFOSP-LJQANCHMSA-N 497.419 2.395 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OCC)CCOC3)n2CC2(O)CCCC2)c1 1748692340 VUMOYDHEBKMORW-VWLOTQADSA-N 467.570 2.292 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cn4ccccc4n3)n2CCNC(=O)C(C)C)c1 1748694502 IDJMZANCXMFSGN-UHFFFAOYSA-N 498.591 2.345 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1Cc1nccc(C(F)F)n1)[C@@H]1CCS(=O)(=O)C1 1748810437 WFEBKXZRGXEHBF-MRXNPFEDSA-N 488.520 2.356 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CCOc1ccccc1C)[C@H]1CCS(=O)(=O)C1 1748819598 PLCGXRNMWQBMOF-NRFANRHFSA-N 465.579 2.278 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccn(-c2ccc(F)cc2)n1 1749054344 RYORRBAITCXCGY-UZUQRXQVSA-N 485.589 2.448 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCC[C@H](COC)C1 1749119116 NQWCHPHLVAFJRN-OKYOBFRVSA-N 455.625 2.122 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@](C)(C(N)=O)C1 1749725075 OBVROOXVRLVSEE-BTYIYWSLSA-N 482.006 2.374 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCC(=O)N[C@H](C)CC 1760101427 PMCIBDYVDHWVIJ-CVEARBPZSA-N 459.620 2.309 30 10 JEEE C#CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1760139063 PYKQPHVDZBWPFQ-RBUKOAKNSA-N 495.646 2.403 30 10 JEEE C#CCCCCn1c(Cc2ccccc2OC)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1760140556 RCTQWHZYDNVRCE-IBGZPJMESA-N 462.558 2.213 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CCc2ccc(OC)c(OC)c2)CC1 1760271982 UHFYLNMQMVLRRP-UHFFFAOYSA-N 488.592 2.490 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CC2(SC)CCN(C)CC2)CC1 1760271990 UTQAKPRSHJNQTL-UHFFFAOYSA-N 481.670 2.057 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(Cl)cccc1OC 1760295706 VDDXIANZMQNYSZ-SIKLNZKXSA-N 494.017 2.313 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(Br)o1 1760346346 UNKHNOGQVSJGLA-CQSZACIVSA-N 474.381 2.179 30 10 JEEE C=CCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](C(=O)OC)C1 1760446087 HAMMMSNAJMRPIQ-SFHVURJKSA-N 462.572 2.331 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](c2cccc(OC(F)F)c2)C1 1760522205 NVIKSVDTVDMQME-AEFFLSMTSA-N 463.485 2.264 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CC[C@@H](C)N(Cc2ccccc2)CC1 1760553927 MCWCBUNLPJMVJP-HXUWFJFHSA-N 481.626 2.437 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCCCCC1 1760556205 WWHINDDRBSLMPA-UHFFFAOYSA-N 459.620 2.433 30 10 JEEE C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCO[C@@H](C#N)C2)n1CC1CCS(=O)(=O)CC1 1761522237 FYNDWLMSKLWHGT-BEFAXECRSA-N 463.535 2.111 30 10 JEEE CN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@](C)(O)c1cccs1)[C@@H]1CCS(=O)(=O)C1 1768539135 FJEKCGGXLCIESB-DYESRHJHSA-N 457.581 2.409 30 10 JEEE CO[C@@](C)(Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(NS(C)(=O)=O)CC1)C1CC1 1769540178 GUYCMFZBAQVTEJ-QFIPXVFZSA-N 458.588 2.150 30 10 JEEE COc1cc(OC)cc(-n2cc(/C=N\NC(N)=S)c(-c3ccc4c(c3)N(C)C(=O)[C@@H](C)O4)n2)c1 1857807450 JEEWDFSFPGGCIP-YZVKNKPJSA-N 480.550 2.467 30 10 JEEE C=CCNC(=O)[C@@H]1C[C@H](O)CN1C(=O)c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O 1861532591 IEXWXWULNFRQSM-LIRRHRJNSA-N 453.882 2.018 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCNC(C)=O)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1F 1862642735 ORTLIAXAOFASNU-LJQANCHMSA-N 457.414 2.457 30 10 JEEE C=CCn1cc(OCC(=O)NCc2ccccc2)c(=O)cc1CN1CCN(c2ccccn2)CC1 1870394712 AUABCAOVVPMHNB-UHFFFAOYSA-N 473.577 2.447 30 10 JEEE C=CCn1cc(OCC(=O)NCCN(CC)CC)c(=O)cc1CNc1ccc2c(c1)OCO2 1870975793 KZDIEXSTZXAZEA-UHFFFAOYSA-N 456.543 2.212 30 10 JEEE C=CCn1cc(OCC(=O)NCCN(CC)CC)c(=O)cc1CNc1ccc2c[nH]nc2c1 1870976690 HIWBHHDLKYWFKT-UHFFFAOYSA-N 452.559 2.360 30 10 JEEE COC(=O)c1ccc(CSc2nnc(CNC(C)=O)n2/N=C/c2cccc(OC)c2O)o1 1874433433 VDEGSLJSLJRFKH-LSFURLLWSA-N 459.484 2.183 30 10 JEEE Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CC(COc4cccnc4C#N)C3)C2)cc1 1891902000 DETYCLWVWWQKRL-IBGZPJMESA-N 454.552 2.200 30 10 JEEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)N2CCC(C#N)CC2)CCN1C(=O)OC(C)(C)C 2054400363 DEGGTGWWPZASHA-UHFFFAOYSA-N 473.596 2.172 30 10 JEEE COC[C@]1(C(=O)N2C[C@@H]3C(B4OC(C)(C)C(C)(C)O4)[C@H]3C2)CN(C(=O)OC(C)(C)C)CCO1 2180983480 CWHASANHPNRJNA-KXNSMUHISA-N 466.384 2.190 30 10 JEEE C#CC(CO)(CO)NC(=O)[C@@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 2245476867 PGQCJEJEFZLTBE-HSZRJFAPSA-N 450.535 2.413 30 10 JEEE CN(C(=O)OC(C)(C)C)C1CN(S(=O)(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2255754075 YMRVNWITHFKJGI-UHFFFAOYSA-N 452.382 2.226 30 10 JEEE Cc1csc(CNC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)O)c1B1OC(C)(C)C(C)(C)O1 2256625800 BUPMNKCDDSAJKV-XJKSGUPXSA-N 454.398 2.246 30 10 JEEE CC[C@@H](CN(C)C(=O)c1c(C)nn(C)c1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2267150743 GGNFBKFAKQHFJA-HNNXBMFYSA-N 450.389 2.403 30 10 JEEE Cc1nc(C(=O)NCCN(C[C@H](C)O)C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2267165446 FTAQKYDWBXXAER-ZDUSSCGKSA-N 469.413 2.098 30 10 JEEE C[C@H]1C[C@H](NS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CN1C(=O)OC(C)(C)C 2267377458 IPMMPZLWGOFWEE-HOCLYGCPSA-N 467.397 2.057 30 10 JEEE Cc1c(C(=O)NCCC[C@@H](C)NC(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2267502208 KJWMODPLOBWRLE-CQSZACIVSA-N 450.389 2.451 30 10 JEEE Cn1cc(C(=O)Nc2nc(CNC(=O)OC(C)(C)C)cs2)c(B2OC(C)(C)C(C)(C)O2)n1 2267519077 FRESUHJHMHZJII-UHFFFAOYSA-N 463.369 2.453 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC1CC(F)(CNC(=O)OC(C)(C)C)C1 2267597379 PUBCZMCJOWOFKD-UHFFFAOYSA-N 451.348 2.450 30 10 JEEE Cn1ncc(C(=O)NCC2CC(F)(CNC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2281814827 NRFODVMVVBZDKP-UHFFFAOYSA-N 466.363 2.092 30 10 JEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2CN(Cc3ccccc3)C(C)(C)C2)n1 2281959520 NSCSZTRGDHDTHD-SFHVURJKSA-N 453.396 2.145 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2CN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)C[C@@H]21 2281987411 ZJIYCABEBHJZOI-HRCADAONSA-N 460.384 2.474 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@](CNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)(C2CC2)C1 2281988362 LCJXGJCROKITMX-QHCPKHFHSA-N 460.384 2.476 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1 2282001395 ASNOCCBZEFDNGU-BGYRXZFFSA-N 450.392 2.232 30 10 JEEE COc1cccc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NN1CCN(C(=O)OC(C)(C)C)CC1 2282002851 URURBNULZYHJQC-UHFFFAOYSA-N 461.368 2.192 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@](O)(CNC(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2F)C1 2282400796 IMQUBHWDKYFEEO-HSZRJFAPSA-N 464.343 2.227 30 10 JEEE C=C(CS(=O)(=O)N1C[C@@H]2[C@@H]3CC[C@@H](CN3C(=O)C(F)(F)F)[C@H]2C1)B1OC(C)(C)C(C)(C)O1 2282491826 MPXPOUXYOBXVDP-FZKCQIBNSA-N 478.342 2.235 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC2(CCCN(C(=O)OC(C)(C)C)C2)C1 2282539899 BHMMMAKETKHLGL-UHFFFAOYSA-N 460.384 2.192 30 10 JEEE CC(C)n1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NCC1(NC(=O)OC(C)(C)C)COC1 2282561862 MQMXIJUWFJLMQB-UHFFFAOYSA-N 463.384 2.392 30 10 JEEE Cn1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC3(CC3)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2282580124 OIXXPBRWUCCQAR-UHFFFAOYSA-N 460.384 2.192 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@H]1C 2282581417 HRKOVCHIAWSGDG-CVEARBPZSA-N 462.400 2.498 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](CO)C1 2282592929 JYIUAGQADJOFME-HUUCEWRRSA-N 481.424 2.098 30 10 JEEE Cc1c(C(=O)N2CC[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282593173 MPZDYVBKJGVKCH-ZBFHGGJFSA-N 462.400 2.403 30 10 JEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCc2cccc(NC(=O)OC(C)(C)C)c2)n1 2282621009 MOEUQBXJBJICEE-UHFFFAOYSA-N 457.340 2.391 30 10 JEEE CCO[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn1C 2282681480 XAWVLTMZAFLSLV-NXHRZFHOSA-N 463.384 2.125 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1C(F)F 2282685909 LWBQBIYYAPODSC-JSGCOSHPSA-N 468.310 2.006 30 10 JEEE CC1(C)OB(c2ccc(S(=O)(=O)N(Cc3ccccc3)CC3(O)CNC3)c(Cl)c2)OC1(C)C 2282834387 TWLJRJZSSHFEHP-UHFFFAOYSA-N 492.834 2.164 30 10 JEEE CN(C)CCCN1C(=O)C(=O)C(=C(O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@@H]1c1cccs1 2296553758 UEVJSDYCGBLCGB-IBGZPJMESA-N 477.608 2.372 30 10 JEEE CC(C)(C#CC(=O)NC1(C(=O)O)CCN(C(=O)OC(C)(C)C)CC1)NC(=O)OC(C)(C)C 2327110537 UTRPGVQTKLTYME-UHFFFAOYSA-N 453.536 2.264 30 10 JEEE Cc1ccc(/C=c2/s/c(=C(/C#N)C(=O)C(C)(C)C)n(CCCN3CCOCC3)c2=O)s1 33768262 CZIKHGNHORZISX-DWKLJOBNSA-N 459.637 2.120 30 10 JEEE COc1cccc(CNC(=O)CSc2n[nH]c(N/N=C/c3cc([N+](=O)[O-])ccc3O)n2)c1OC 58997289 CMDMTVOIGMGJHW-LSHDLFTRSA-N 487.498 2.290 30 10 JEEE C=CCn1c(=O)c2ccc(C(=O)NC(C)C)cc2n2c(=O)n(CC(=O)Nc3cccc(CC)c3)nc12 64581528 CXSUFEHBMLTPIV-UHFFFAOYSA-N 488.548 2.336 30 10 JEEE C=CCn1c(=O)c2ccc(C(=O)NC(C)C)cc2n2c(=O)n(CC(=O)Nc3cc(F)ccc3F)nc12 64581533 VQRFYYBVSBASNP-UHFFFAOYSA-N 496.474 2.052 30 10 JEEE C=CCNC(=O)c1cn(CCC)nc1S(=O)(=O)N1CCN(c2ccccc2OCC)CC1 65152105 JVXOHIBZIOYQCO-UHFFFAOYSA-N 461.588 2.119 30 10 JEEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(C)c(S(=O)(=O)Nc3cccc(C)c3)c2)CC1 512710684 XRUSVUUYUMPSSY-UHFFFAOYSA-N 470.595 2.164 30 10 JEEE COC(=O)c1cccc(N2C(=O)C(Sc3nc(C)cc(C)c3C#N)=C(N(C)CCO)C2=O)c1 526696285 UTDCMPYLTJNRIU-UHFFFAOYSA-N 466.519 2.158 30 10 JEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(SC)cc2)c(=O)n1-c1ccccc1C#N 604002385 SBPLZULMRAIYJL-UHFFFAOYSA-N 458.568 2.298 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(c3nnc(S)n3CC)CC2)s1 1136672939 CYUHEUYFCUJTRD-UHFFFAOYSA-N 455.631 2.061 30 10 JEEE C=CC(C)(C)CCNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 1148727241 LIRBTDLCDBZICZ-UHFFFAOYSA-N 451.589 2.027 30 10 JEEE CCOC(=O)c1c(NC(=O)N2CCN(CC(=O)Nc3ccccc3)CC2)c(C#N)cn1CC 1206501765 GUURNKZYYJMPIP-UHFFFAOYSA-N 452.515 2.345 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCN/C(O)=C1/N=CC=CC1=O 1286276846 ZDNOBRPCWKPJHR-FRKCRFBYSA-N 456.510 2.320 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1286384402 QMKFSGNFDVTCAA-IRXDYDNUSA-N 496.431 2.242 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1Cc1cccnc1OC)[C@@H]1CCS(=O)(=O)C1 1286392125 GDJRHKMJYGZTEB-LJQANCHMSA-N 469.542 2.087 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccc(C)cc1)N1CCCC1 1286419937 IGCHXFHXVDQHHF-GGAORHGYSA-N 482.654 2.497 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCN1S(C)(=O)=O 1286452261 FAMMITBVDYKRTF-MSOLQXFVSA-N 480.635 2.234 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC2([S@](C)=O)CCC2)CC1 1286470164 UGOKUZYCHRLUOJ-XIFFEERXSA-N 468.627 2.204 30 10 JEEE C#CCSCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(CC)[C@H](C)C1 1286496162 ACFKOTMASRMNNH-QGZVFWFLSA-N 475.688 2.443 30 10 JEEE C=CCCOCCn1c(N2CCN(S(=O)(=O)c3csc(C)n3)CC2)nnc1C(C)(C)C 1286717002 VQIKUGRJYNPGML-UHFFFAOYSA-N 468.649 2.444 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(CO)(Cc2ccccc2)CC1 1286781605 VGWOOYORMCDHKA-UHFFFAOYSA-N 489.580 2.049 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)c1ccc(F)c(F)c1 1286820515 MQZADRMYZSYYOG-GDBMZVCRSA-N 488.582 2.257 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCC[C@@H](CNC(C)=O)C1 1286821143 BIKKMOJOGQQBSY-FQEVSTJZSA-N 459.616 2.131 30 10 JEEE C[C@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 1286968988 CSOVCYNUIQXIKW-XLIONFOSSA-N 465.558 2.162 30 10 JEEE CCCC(=O)N[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCOC[C@H]2C)C1 1293758661 ARIWRDITBDVODD-IFMALSPDSA-N 495.628 2.335 30 10 JEEE CN(c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCN1S(C)(=O)=O)[C@H]1CCSC1 1298186489 BEKKBIHKZJXDSG-MSOLQXFVSA-N 476.628 2.094 30 10 JEEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1300386705 UCXLIRCGPGEKEL-UHFFFAOYSA-N 483.436 2.320 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCN1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 1300484465 PTODNVBPMRRBLV-TZIWHRDSSA-N 487.601 2.446 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1C[C@@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1300505445 AFEQSZATOHPXQU-GIVPXCGWSA-N 498.628 2.294 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2Cc2ccc(N(C)C)nc2)CC1 1300688706 JTJPORDCBMZHHG-UHFFFAOYSA-N 461.570 2.227 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC(C)(C)N2CCOCC2)CC1 1300701326 OSJNXKPCLJJCTQ-UHFFFAOYSA-N 457.022 2.388 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H](C)c2c(C)noc2C)CC1 1300707541 GGFFHSSXWIAADB-MRXNPFEDSA-N 467.599 2.433 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N2CCCCCC2)CC1 1300707649 HCIOETYMYSFEEO-UHFFFAOYSA-N 475.597 2.277 30 10 JEEE C#CCSCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCN(CC(=O)N(C)C)CC1 1300740906 HNJALCIRWUUFHG-UHFFFAOYSA-N 477.638 2.378 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1300898736 ZWGZJPPYGJNNGY-SVMVAKDDSA-N 493.605 2.448 30 10 JEEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)N(C)C2CCCCC2)CC1 1300983476 JEIHAKFXQHYJSS-UHFFFAOYSA-N 484.649 2.184 30 10 JEEE C=CCCOCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@@H](C(=O)NC)C1 1301257714 DENLQYFAIUBJTI-HXUWFJFHSA-N 468.606 2.007 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCn1ccc2ccccc21 1301297907 WDYZWBGIVVSTID-FQEVSTJZSA-N 458.588 2.278 30 10 JEEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1301435996 FVLFCDWZMKTXOR-UHFFFAOYSA-N 469.527 2.164 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1301485569 YOPXHQAYBGEHQE-GOSISDBHSA-N 481.376 2.102 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(C(=O)N(CC)CC)CC1 1301489841 DSIXWJNHNKAOEX-UHFFFAOYSA-N 490.008 2.493 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC(NC(C)=O)CC1 1301490543 VDYKRKSQHFKIMB-UHFFFAOYSA-N 475.391 2.423 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H](C)C[C@@H](C)C1 1301575940 NGIKXXQTIZQVFI-QZTJIDSGSA-N 495.671 2.279 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H](n2cncn2)C1 1301586997 LDTIBXGCUQBJSA-INIZCTEOSA-N 477.541 2.181 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](Oc2ncccc2F)C1 1301588795 JMNPFRVFANUDAF-QZTJIDSGSA-N 479.578 2.355 30 10 JEEE CC(C)OCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCO[C@H](C#N)C1 1303561215 DZRITRGKODHCPO-QGZVFWFLSA-N 451.531 2.390 30 10 JEEE C=CCS(=O)(=O)CCNC(=O)N1CCC[C@H]([C@H]2C[C@@H](NC(=O)OC(C)(C)C)CCO2)C1 1312353274 FWMKQGRTKMGAAT-OKZBNKHCSA-N 459.609 2.081 30 10 JEEE C#CCCCn1c(N2CCC([C@H]3NC(=O)N(C)C3=O)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1358935209 AUSKVLCHWGFSHX-CEXWTWQISA-N 499.616 2.229 30 10 JEEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1CN(CC(C)C)CCO1 1358938307 XCJKMTAFUYGDOK-FQEVSTJZSA-N 458.994 2.288 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1ccc(C(C)(C)O)cc1)[C@@H]1CCS(=O)(=O)C1 1358964590 BTSBOGJQPMNLIY-JOCHJYFZSA-N 479.606 2.166 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@H]1CCCCN1CC)[C@@H]1CCS(=O)(=O)C1 1358964609 CBVDOULULDNACS-WOJBJXKFSA-N 476.672 2.135 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1CC1(O)CCCCC1)[C@H]1CCS(=O)(=O)C1 1358965054 NBIZWPTVPDZFSX-FQEVSTJZSA-N 472.611 2.199 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCC(=O)NC1CC1 1359010498 RLUPTJYJRAEUED-SFHVURJKSA-N 460.579 2.105 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1C[C@@H](C)CN1CCOCC1 1359019097 KILXCADYCIZJNP-KRWDZBQOSA-N 479.423 2.100 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2cccc(OCCC)c2)CC1 1359028428 RPVIJFUCALNKSD-UHFFFAOYSA-N 450.587 2.301 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCOC[C@@H]2CCOC2)CC1 1359030767 FCKCQSMKRQOTCP-KRWDZBQOSA-N 477.407 2.234 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@]2(OC)CCOC2)CC1 1359031597 IJCWUSKGBIFUET-LJQANCHMSA-N 466.405 2.330 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2CC(F)(F)CNC(=O)OC(C)(C)C)CC1 1359035045 JNYGRAKAGFOEBR-QGZVFWFLSA-N 468.549 2.435 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCCC2CCOCC2)CC1 1359038414 VLQWJWCIDGLHFT-UHFFFAOYSA-N 456.616 2.232 30 10 JEEE C=C(C)Cn1c(COc2ccc(OC)cc2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1359124673 XTHLURVZXNUQMQ-WMZHIEFXSA-N 468.602 2.431 30 10 JEEE C=CCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1359223276 GCWLPNPHHDWRLU-KNQAVFIVSA-N 489.642 2.098 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCOC1 1359263485 CKYPJHXBEMTAGJ-HKUYNNGSSA-N 481.644 2.292 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2ccc(OC)c(OC)c2)C1 1359321389 FWBOAGIEWFFJNW-OALUTQOASA-N 476.599 2.221 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC2(CC1)C(F)(F)C21CC1 1359327106 SCCJFDLMCDGGTC-UHFFFAOYSA-N 457.547 2.033 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1359328842 PNGACZYPSDGIBI-HTAPYJJXSA-N 491.570 2.228 30 10 JEEE CC(C)OCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](CN2CCOCC2)C1 1360406039 HLJOLQRZMUXIKF-OAQYLSRUSA-N 454.575 2.312 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC(=O)N(C)Cc1ccccc1 1496839962 GBAXIJMHDMKSRC-HSZRJFAPSA-N 455.538 2.297 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCNc1ncc(Cl)cc1Cl 1507516595 LLNQLUBOMPHRGV-VXGBXAGGSA-N 460.391 2.160 30 10 JEEE C#CCN(c1nnc(COCC)n1Cc1cccc(NC(=O)C2CCC2)c1)[C@H]1CCS(=O)(=O)C1 1507638182 PDZNNIHNISDNKR-NRFANRHFSA-N 485.610 2.228 30 10 JEEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1507744790 PFFWOJSKIHKSAD-ZDUSSCGKSA-N 458.407 2.025 30 10 JEEE C#CCSCCn1c(Cn2ccc3ccccc32)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1507753870 SBFVKFOBVXIPTA-LJQANCHMSA-N 472.640 2.166 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C#N)cc2)n1CCCN(C)S(=O)(=O)CC 1507770270 RXOXWGMFVMWWNA-HSZRJFAPSA-N 470.599 2.392 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)c1ccccc1 1507772884 NUQSQXYVJRTMSH-KKLQWCBXSA-N 457.600 2.407 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)C(=O)NC 1508009119 UTXQCPGFYMFKFK-QGZVFWFLSA-N 463.579 2.284 30 10 JEEE C=CCN(CC=C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CC[C@H](CO)O1 1508014802 DVOKCDIZDSXYRY-ZWKOTPCHSA-N 460.604 2.265 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC(NC(=O)c2cc(C)oc2C)CC1 1508092018 XNUYQYQWWYACCG-HXUWFJFHSA-N 470.574 2.431 30 10 JEEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCN(c2ccc(F)cn2)CC1 1508093329 UQPKELQFOBOTOQ-UHFFFAOYSA-N 465.533 2.328 30 10 JEEE CCc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1CC1CCN(CCN(C)C)CC1 1513697264 DTZOYVLZKMXYBE-HSZRJFAPSA-N 481.645 2.422 30 10 JEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(N(C)C)CCSC1 1539178219 FQQRLPUPAKHFMZ-VGOFRKELSA-N 464.636 2.093 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCN1CCCS1(=O)=O 1539237747 KGGVBXRPLPAXEU-UHFFFAOYSA-N 476.606 2.461 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccccc2Br)n1C[C@H]1CCN(S(C)(=O)=O)C1 1539252965 IYFVZAUFLOGZLD-INIZCTEOSA-N 476.400 2.062 30 10 JEEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1CCN(C(=O)OC)CC1 1539322896 ALLJEISBFCFFHT-UHFFFAOYSA-N 490.612 2.393 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2Cc2cc(Br)ccc2OC)CC1 1539446572 GQDRXACFYGZGSK-INIZCTEOSA-N 460.376 2.357 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CCN(CC)C(C)C)CC1 1539484693 ZOVJNCPRIAAYGF-UHFFFAOYSA-N 457.648 2.330 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2OCC)CC1 1539751542 PENLLMPCGYGRGY-FQEVSTJZSA-N 489.642 2.498 30 10 JEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC([C@H]2CC2(F)F)CC1 1540005645 MYAFOPZHTCDUDT-SJORKVTESA-N 459.563 2.449 30 10 JEEE C=CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H](N1CCOCC1)C(F)(F)F)C1CC1 1540116666 ZNKXLSDPOMLDQL-SZMVWBNQSA-N 459.513 2.420 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1-n1ccnc1 1540169280 BREQIJHGNLIBOW-OAQYLSRUSA-N 483.598 2.023 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1([S@](C)=O)CCC1 1540187154 LRXKIEQUVYUMSK-ZQHDKMAOSA-N 466.629 2.310 30 10 JEEE C=CCn1c(CSc2ccccc2OC)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1540860671 GMTGMSYPDBUTJM-UHFFFAOYSA-N 458.588 2.339 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCC(Oc2cncc(Cl)n2)CC1 1540897498 KNRIRQLIMNLLPS-UHFFFAOYSA-N 454.984 2.494 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc3ccccc3o2)nnc1N(C)CCN1CCOCC1 1540899245 IKDYLGXFVVISFW-UHFFFAOYSA-N 459.572 2.061 30 10 JEEE C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1CCNC(=O)C(C)(C)C 1541131384 FAXZIYXKCVBEPE-IAGOWNOFSA-N 490.630 2.149 30 10 JEEE CC(C)c1csc(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCNS(C)(=O)=O)n1 1541314874 FNOBYFLCXXOWCM-UHFFFAOYSA-N 459.601 2.430 30 10 JEEE CC(C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[S@@](=O)C(C)(C)C)CC1 1541703836 AMZOHZWZLWIRIW-UUWRZZSWSA-N 485.658 2.011 30 10 JEEE CCOc1ccc(O[C@H](C)c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H](C)N2CCOCC2)cc1 1547978656 HGKNIMVSRCBFKK-KNKQGSTJSA-N 470.574 2.266 30 10 JEEE CC#CC[C@@H](CO)NC(=O)c1cc(O)nc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc12 1559010219 PNBHYUPOIDWRKD-INIZCTEOSA-N 457.483 2.384 30 10 JEEE C#CCN1CCC(C(=O)N2CCC(c3nnc4n3CCN(C(=O)OC(C)(C)C)C4)CC2)CC1 1568062599 MLSDNXIFUZNRNB-UHFFFAOYSA-N 456.591 2.080 30 10 JEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1587879555 VVLDDHPREBKMQH-GOSISDBHSA-N 453.572 2.477 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CCCOc1ccccc1)[C@H]1CCS(=O)(=O)C1 1588065093 UCWLMPXKZJDWAJ-NRFANRHFSA-N 465.579 2.360 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1CCc1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1588069019 FMZZUSXOOOKZKO-GOSISDBHSA-N 487.557 2.470 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCCCC2(F)F)CC1 1588884534 DEPMEZWSCFBYCY-QGZVFWFLSA-N 450.534 2.208 30 10 JEEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1589007731 PMGMZQOAQUIAMM-SFHVURJKSA-N 487.651 2.210 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)OCC)CC1 1589568762 MGTDLXBDFWKRGA-FPOVZHCZSA-N 457.579 2.399 30 10 JEEE C=CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1595314257 KLZLKTYJSOZDMI-UHFFFAOYSA-N 465.602 2.468 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@@H](c2nnc(C(C)C)o2)C1 1595555804 HOMQITJTNNIYDY-GOSISDBHSA-N 469.521 2.395 30 10 JEEE C=CCOc1ccc(Cn2c(CC)nnc2N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)cc1 1595640168 UGMJENGAZLRPMY-NRFANRHFSA-N 475.615 2.084 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCC(C(=O)NC2CCCCC2)CC1 1595812089 MVTYZTDNNBZICN-UHFFFAOYSA-N 463.648 2.497 30 10 JEEE C[C@H]1CN(C(C)(C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(OCC(N)=O)CC2)C[C@@H](C)O1 1612873370 ARMZHCHCFLRULK-KDURUIRLSA-N 495.628 2.175 30 10 JEEE C=CCn1c(SCC(=O)N[C@@](C)(Cn2cccn2)C(N)=O)nnc1-c1ccc(Cl)cc1 1623323775 RXRYBAIAZWXRGQ-FQEVSTJZSA-N 459.963 2.134 30 10 JEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc([C@]2(C)NC(=O)NC2=O)c1 1626461431 ARPAOYYVPSWWMY-VFNWGFHPSA-N 450.923 2.393 30 10 JEEE C#CC[C@@H](NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccccc1 1636573335 HHWXMARZVUECNW-JOCHJYFZSA-N 453.564 2.181 30 10 JEEE CC(C)[C@H](C#N)N1CCN(C(=O)CN(C)C[C@@H](O)COc2ccccc2C(F)(F)F)CC1 1653363295 ASAPDCPLVCFXAW-MJGOQNOKSA-N 456.509 2.069 30 10 JEEE Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CCC[C@H](NS(=O)(=O)c2cccc(F)c2)C1 1661404959 FCULBAOGKVRHBP-KRWDZBQOSA-N 455.508 2.277 30 10 JEEE CC(C)NS(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 1667060721 FMGKKGKSARVRSY-HXUWFJFHSA-N 455.540 2.168 30 10 JEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H](CS(C)(=O)=O)c2ccccc2)cc1 1667956714 RDSJAHJYENUXJH-IBGZPJMESA-N 451.570 2.401 30 10 JEEE C=CCSCCNC(=O)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 1681507189 ZUNGABGIPXGEQC-UHFFFAOYSA-N 454.437 2.446 30 10 JEEE C#CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(S(C)(=O)=O)CC1 1689885429 ILSCASZXPHGGFC-UHFFFAOYSA-N 478.644 2.055 30 10 JEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)NCCc1ccccc1 1689965793 DBHGHQCMFSYDND-FQEVSTJZSA-N 482.585 2.015 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1Cc1ncnn1-c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1689980755 WVQFSJIVXIONFP-IEBWSBKVSA-N 453.572 2.047 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1Cc1ncccc1N(C)C)[C@@H]1CCS(=O)(=O)C1 1689984731 UFDGKJQIEKXEGX-QGZVFWFLSA-N 486.001 2.130 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H](CC)Oc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1689987857 DGUQPVMNCCGNCS-MOPGFXCFSA-N 484.557 2.359 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1CCc1ccc(SC)cc1)[C@@H]1CCS(=O)(=O)C1 1689989434 FNIAZZBRTFADRM-RBUKOAKNSA-N 460.625 2.373 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H](C)CN2CCCC2)CC1 1690117452 IHHJACHNIZUSFH-HXUWFJFHSA-N 452.603 2.449 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CC(F)(F)Br)CC1 1690119437 FNYXLBLYOJEXMB-UHFFFAOYSA-N 468.302 2.459 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2C[C@@H](OC)C(C)C)CC1 1690144096 LROYLKSVYRRXMW-HXUWFJFHSA-N 477.569 2.231 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1690243150 HQNLRGWXRHGVJS-RLLQIKCJSA-N 487.605 2.390 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1690250229 FBWNMBWTLVHPLW-DHLKQENFSA-N 498.676 2.111 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1C[C@@H]1C 1690556147 OCFWUNBHFUUBHZ-DSKINZAPSA-N 475.615 2.468 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCc2ccc(OCC)cc2C1 1690677817 BHQUDIKVLBKXMP-AVRDEDQJSA-N 455.559 2.266 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(OC)c(OC)c2OC)C1 1690685250 YVQKTAWJBOQCOD-SFHVURJKSA-N 471.558 2.370 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCN2CCCC2)C1 1690700425 SAYYEHHTPVNILF-WOJBJXKFSA-N 476.622 2.464 30 10 JEEE CC(C)NC(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1692550148 BXDIKXWRDYBVJF-QGZVFWFLSA-N 455.538 2.034 30 10 JEEE Cc1ccc(C(=O)NCCn2c(C(=O)N3CCCC3)nnc2N2CCC(C#N)CC2)cc1F 1693010219 CZTLGRAIDUODPT-UHFFFAOYSA-N 453.522 2.132 30 10 JEEE CCN1C[C@H](C)N(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)NC(C)C)C[C@@H]1C 1695802473 AAQNNIFBLMXPNI-ROUUACIJSA-N 459.620 2.063 30 10 JEEE CN(CCC1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1CCCn1cc(CO)nn1 1696792125 CWWHACYIOOYHPC-UHFFFAOYSA-N 450.547 2.244 30 10 JEEE CNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)OC(C)(C)C)C1 1696941636 GMMMGWNUADNGDF-GOSISDBHSA-N 453.547 2.304 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CC1(O)CCCCC1)[C@H]1CCS(=O)(=O)C1 1705560122 DIJXVRPMFNNYRW-IBGZPJMESA-N 458.584 2.276 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@H](C)OC)[C@H]1CCS(=O)(=O)C1 1705563445 XZMJHMIKMGTHBS-HOCLYGCPSA-N 497.415 2.378 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@]1(O)CCC[C@H]1C 1705621969 TXXDDZGFOQGZFM-HXOBKFHXSA-N 459.978 2.499 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccccc2Br)n1CC1(C(N)=O)CCOCC1 1705624606 IEMYMFULOTVJKP-UHFFFAOYSA-N 476.375 2.076 30 10 JEEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1705731929 ITMQNGGVFLZABT-MBSDFSHPSA-N 476.599 2.326 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)N1CCc2ccccc2C1 1705884652 UYOLKQZWXZLPMD-UGKGYDQZSA-N 473.643 2.266 30 10 JEEE C=CCOc1ccc(Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CC(=O)N(C)[C@@H](C)C2)cc1 1705910948 SPCKSYWIMYWRKN-JLMWRMLUSA-N 455.559 2.282 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCCN2C(=O)OC(C)(C)C)C1 1705922380 LUWRXIPJNUEPDN-KURKYZTESA-N 460.579 2.410 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCC3(CC2)C[C@@H]3C(=O)NCC2CC2)nnc1C(C)(C)C 1705938836 KWEQFNJIDZPEIY-GOSISDBHSA-N 463.648 2.309 30 10 JEEE C=CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1705947941 DBYIBHPTDZXMCU-HZPDHXFCSA-N 460.629 2.436 30 10 JEEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2C[C@H](C)O[C@@H](C)C2)C[C@H]1OC 1712684721 FHMZRRZMWUELIU-DHNNRRLOSA-N 484.601 2.078 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCc2ccccc21 1722413781 RKMUSMGNSRUGGL-TZIWHRDSSA-N 457.600 2.191 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(F)ccc2Br)n1C[C@@H]1CC[C@H](CO)O1 1722420803 LVSBEZUHUYBQGS-JKSUJKDBSA-N 467.339 2.473 30 10 JEEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(OCCOC)CC1 1722457842 PGEMZTKOWFQEKX-UHFFFAOYSA-N 482.610 2.190 30 10 JEEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1722481247 WZHOWHRNHOCQCS-RCCFBDPRSA-N 472.428 2.458 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccc2OC)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1722495343 GQNRAAIDWNYLTE-DENIHFKCSA-N 496.612 2.108 30 10 JEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1722527340 GRDASJULQKPZAE-ROUUACIJSA-N 462.595 2.456 30 10 JEEE C=CC[C@@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](OC)C1)c1ccccc1 1722598084 ZHRFTNPXDAORNV-HBMCJLEFSA-N 475.615 2.196 30 10 JEEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCCN(c2nccc(OCC)n2)CC1 1722683101 FJXOXBBIQROOFL-UHFFFAOYSA-N 483.598 2.440 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1722692085 WLTNCOSGRILYKR-IPMKNSEASA-N 452.559 2.052 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCO[C@@]2(CCOC2)C1 1722694845 KNARRNFMHVFBDA-DEOSSOPVSA-N 471.558 2.040 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](NC(C)=O)C1 1722723834 GPQPMLMBVABVKJ-SFHVURJKSA-N 451.980 2.304 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1722737205 WXAZMGQCIVGKHY-LVBDUCALSA-N 482.647 2.182 30 10 JEEE C[C@H]1C[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(S(C)(=O)=O)CC2)C[C@@H](C)O1 1726476496 CFNXJXJUQGMLRE-IZZQQSIFSA-N 458.588 2.102 30 10 JEEE COc1ccc(CCn2c(-c3cccnc3)nnc2N2CCO[C@@H](C#N)C2)c(OC)c1OC 1730128818 DZKGVLVZIUUDJW-SFHVURJKSA-N 450.499 2.337 30 10 JEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC[C@@]1(O)C[C@H]2CC[C@H]1C2 1740602761 UGEJIBLXJMBIEN-WCAVRKLYSA-N 457.600 2.206 30 10 JEEE C#CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H]1CCCS(=O)(=O)C1 1740610216 USGTVVLAEHYLMF-QGZVFWFLSA-N 465.620 2.287 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1Cc1ccn(C)n1)[C@@H]1CCS(=O)(=O)C1 1740617289 PAPFYHOQFROSTL-VQIMIIECSA-N 489.001 2.480 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1CCN1CCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1740621375 WHANEWSNTVMMFO-RTBURBONSA-N 487.626 2.073 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1C(F)(F)F 1740671509 IXOLUDVIHFKHBK-QGZVFWFLSA-N 471.505 2.138 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(OC)cc3)n2CCc2ccccn2)CC1 1740707540 GJEFQOWHSFHGCQ-UHFFFAOYSA-N 474.565 2.469 30 10 JEEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCCN(c2ccccc2)CC1 1740963250 FPNHSFRKXQOIBG-UHFFFAOYSA-N 479.610 2.289 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCCO[C@H](C)C1 1740986032 QLMHFAIUBUCYEE-MRXNPFEDSA-N 482.006 2.078 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCO[C@]2(CCOC2)C1 1740993757 IAVZFTHTZKAMAL-HSZRJFAPSA-N 476.599 2.070 30 10 JEEE Cc1nn(C)c(C)c1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(S(C)(=O)=O)CC1 1742658554 GAJGKLSFAXGDMW-UHFFFAOYSA-N 483.598 2.141 30 10 JEEE C[C@H]1C[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(NS(C)(=O)=O)CC2)CCO1 1742962078 GUYLGAWQVNCARR-HKUYNNGSSA-N 488.614 2.062 30 10 JEEE CNC(=O)CCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[C@@](F)(C#N)C1 1748270487 DSXPENLWRLIXFY-GOSISDBHSA-N 451.300 2.294 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1CC1([S@@](C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1748810484 WZGBJFJQYLJWGR-RKXCMPKHSA-N 497.042 2.145 30 10 JEEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1([S@](C)=O)CCC1 1748912963 MUFKJVKDGGQCOH-HKBQPEDESA-N 462.645 2.307 30 10 JEEE C#CCN1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CC[C@H](OCC)C(C)C)CC1 1748986482 AOGISOQFOBQGKA-QFIPXVFZSA-N 477.613 2.398 30 10 JEEE C=C(Br)Cn1c(Cc2ccccc2F)nnc1N1CCC(OCC(N)=O)CC1 1749105340 DISJZKVPXUHTIF-UHFFFAOYSA-N 452.328 2.387 30 10 JEEE C=C1CCN(c2nnc([C@H](C)OCCOC)n2C[C@]2(N3CCOCC3)CCSC2)CC1 1749291257 CILMUNNMGKMKRH-SIKLNZKXSA-N 451.637 2.366 30 10 JEEE C=CCCCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1749434180 KPQWRSZQNQKXGF-LJQANCHMSA-N 487.004 2.365 30 10 JEEE C=CCN(CCc1ccco1)c1nnc(-c2nnc(O)c3ccccc23)n1CCS(C)(=O)=O 1749590982 KRIFRHAOIDFOTF-UHFFFAOYSA-N 468.539 2.467 30 10 JEEE CC[C@H](C)[C@@](C)(O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCO[C@H](C#N)C1 1752555515 ACFDOFRPQOOXIQ-SRGWNRLKSA-N 465.558 2.201 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1(O)CCCC1)[C@H]1CCS(=O)(=O)C1 1760192335 HRFKEURNMDAVAQ-IPMKNSEASA-N 464.632 2.129 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccc(OCC=C)cc2)CC1 1760257427 WERJKVQSDBYCKJ-VWLOTQADSA-N 451.571 2.299 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2Cc2cc(OC)c(OCC)c(OC)c2)CC1 1760257841 KKTHYDONSMQAGP-UHFFFAOYSA-N 450.543 2.493 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CC(C)(C)N2C[C@H](C)O[C@H](C)C2)CC1 1760272117 ZKAATSHAUPGYKV-OYRHEFFESA-N 493.656 2.118 30 10 JEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1760281816 XTAFSBLQXAFZIT-IAGOWNOFSA-N 462.620 2.431 30 10 JEEE C=C(Br)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1760303568 QWSQWAXLFKYBTJ-MRXNPFEDSA-N 470.331 2.198 30 10 JEEE C=CC1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2Cc2nncn2CC)CC1 1760398544 CDGUNJZCQPMSEL-UHFFFAOYSA-N 470.603 2.258 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC(N2CCCC2=O)CC1 1760517015 ZWFHUUCLADJRIS-KRWDZBQOSA-N 470.549 2.451 30 10 JEEE COc1cccc(C2(Cn3c([C@@H]4CN(S(C)(=O)=O)CCO4)nnc3N(C)[C@@H](C)CC#N)CC2)c1 1768766885 FKLJECBFDNVFFJ-PXNSSMCTSA-N 488.614 2.090 30 10 JEEE 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@]4(C)[C@H]3CC[C@@]21C 1848438860 OIUSIMZHVMRLJU-NKAFRGHPSA-N 478.582 2.186 30 10 JEEE N#Cc1nnn(-c2cccc(Br)c2)c1NC(=O)CN1C(=O)c2ccccc2C1=O 1870141801 LBFRYQOSNBTADW-UHFFFAOYSA-N 451.240 2.136 30 10 JEEE CC(=O)NCCn1cc(OCC(=O)Nc2sc3c(c2C#N)CCC3)c(=O)cc1CN1CCCC1 1870324764 YTOHIIRUUOZTOR-UHFFFAOYSA-N 483.594 2.020 30 10 JEEE C#CCOc1cn(CCc2ccc(OC)cc2)c(CN2CCN(C(=O)OCC)CC2)cc1=O 1870561001 VGRCBVVOULXPTB-UHFFFAOYSA-N 453.539 2.386 30 10 JEEE COc1cc2[nH]c(C(=O)O)c(/C=N/n3cnnc3SCC(=O)NCc3ccco3)c2cc1OC 1873504667 GRIOTECUFPDIMK-PGGKNCGUSA-N 484.494 2.359 30 10 JEEE COc1cccc(O[C@H](C)C(=O)N2CCC(OCC#CCN3CCN(C(C)C)CC3)CC2)c1 1890335993 QREKYOFMRCTJDP-JOCHJYFZSA-N 457.615 2.500 30 10 JEEE C=CCN(CC(=C)Br)C(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1963788636 SLJNNYNKCLOHMY-AWEZNQCLSA-N 451.383 2.334 30 10 JEEE C=CCN(CC(=C)Br)C(=O)C[C@@H]1CS(=O)(=O)CCN1C(=O)OC(C)(C)C 1965037862 FOFKXTAXOXVXPX-CQSZACIVSA-N 451.383 2.334 30 10 JEEE C=CCN1C(=O)C(=C2SC(=S)N(CCS(=O)(=O)O)C2=O)c2cc(Br)ccc21 2053515274 LRFRWBBCFKLHCO-UHFFFAOYSA-N 489.394 2.441 30 10 JEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@]1(C(=O)O)CCCN(C(=O)OC(C)(C)C)C1 2059802190 WQDPKNPIBRVIIP-OYHNWAKOSA-N 453.536 2.264 30 10 JEEE C=C[C@@]1(COc2ncnc(I)c2N)COCCN1C(=O)OC(C)(C)C 2079110404 PUHDQBDSQOEGDE-INIZCTEOSA-N 462.288 2.234 30 10 JEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)CCN1Cc1ccccc1B1OC(C)(C)C(C)(C)O1 2106597788 SSTWIMUSMFSDSC-UHFFFAOYSA-N 466.409 2.368 30 10 JEEE CC(C)(C)OC(=O)NC[C@]1(F)C[C@@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2124543186 OKLMPCPARDGOIE-IPVJXJPOSA-N 450.320 2.357 30 10 JEEE CC(C)(C)OC(=O)NC[C@H](O)CNC(=O)c1cc(Cl)cc(B2OC(C)(C)C(C)(C)O2)c1 2255543089 CDRHIRZDYRNYND-MRXNPFEDSA-N 454.760 2.255 30 10 JEEE CC1(C)OB(c2csc(S(=O)(=O)N[C@H]3[C@@H]4CN(Cc5ccccc5)C[C@@H]43)c2)OC1(C)C 2255750190 GFMIDVPXKYBYQC-RUYXUALKSA-N 460.430 2.456 30 10 JEEE C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccc(B2OC(C)(C)C(C)(C)O2)s1 2256616675 CWJDFRLOQVHBMV-XJKSGUPXSA-N 454.398 2.280 30 10 JEEE CN(Cc1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C 2256671740 XEQOOCHGSJMANF-MRXNPFEDSA-N 454.398 2.281 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)CO1 2267156135 FGBKEHIOGLJMSX-KBPBESRZSA-N 467.397 2.102 30 10 JEEE C[C@@H]1CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)CC[C@H]1NC(=O)C(F)(F)F 2267366669 JDYRGIPIOOATSP-DGCLKSJQSA-N 482.355 2.125 30 10 JEEE COCC[C@@H](CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)NC(=O)OC(C)(C)C 2267373358 BWELGMKXSBODNQ-HNNXBMFYSA-N 490.453 2.255 30 10 JEEE C=C(CS(=O)(=O)N1CCO[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1)B1OC(C)(C)C(C)(C)O1 2267468251 UKKHLQZIBKGIOL-NRFANRHFSA-N 472.413 2.216 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1[C@@H]2CN(S(=O)(=O)Cc3ccsc3B3OC(C)(C)C(C)(C)O3)C[C@@H]21 2267472310 OFMKKIXWYLXCSS-ZSHCYNCHSA-N 484.449 2.332 30 10 JEEE CCn1cc(C(=O)N2C[C@H]3C[C@H]2[C@H]3NC(=O)OCc2ccccc2)nc1B1OC(C)(C)C(C)(C)O1 2267491973 LZKGGGKZZJPTDZ-HOJAQTOUSA-N 480.374 2.342 30 10 JEEE C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)ccc1F 2268655293 KDGQHVRXKMVBFZ-CXAGYDPISA-N 452.332 2.015 30 10 JEEE C[C@@H](NC(=O)CN1CC(NC(=O)OC(C)(C)C)C1)c1cscc1B1OC(C)(C)C(C)(C)O1 2268715000 FGUZJGBABRZMBP-CQSZACIVSA-N 465.425 2.433 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@@H](C(=O)N3CC=C(B4OC(C)(C)C(C)(C)O4)CC3)O[C@H]2C1 2279909193 RPEHRRCTUFPJOB-BZSNNMDCSA-N 464.368 2.180 30 10 JEEE Cc1nn(C)c(C(=O)NCC2=CCN(C(=O)OC(C)(C)C)CC2)c1B1OC(C)(C)C(C)(C)O1 2281986272 PSSHLOXLWMWGOP-UHFFFAOYSA-N 460.384 2.325 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1(C)C 2282022437 TZLNAWQVTPTIHF-GDBMZVCRSA-N 460.384 2.445 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2CCCCN2C(=O)C(F)(F)F)n1 2282039923 BQBJWPCQBJZUKI-AWEZNQCLSA-N 455.286 2.362 30 10 JEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2282409422 KFTAVHIJRJKRPJ-QZTJIDSGSA-N 464.343 2.489 30 10 JEEE Cc1c(C(=O)NC[C@@H]2[C@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282581676 KXORXYATRGTQQB-ARFHVFGLSA-N 460.384 2.013 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C[C@@H]1C(F)F 2282623723 HSUXFCSVNZXSME-UONOGXRCSA-N 468.310 2.006 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](CNC(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)OCC12CC2 2282626322 GECDPTYHAGOTTP-HNNXBMFYSA-N 462.352 2.477 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@H]1CCCCN(Cc2ccccc2)C1 2282849261 YSECEJTUNHFASB-IBGZPJMESA-N 474.436 2.052 30 10 JEEE COC(=O)[C@@H](CC(=O)N(C)Cc1ccc(B2OC(C)(C)C(C)(C)O2)s1)NC(=O)OC(C)(C)C 2283927090 WPPRJZKDBVMSST-OAHLLOKOSA-N 482.408 2.462 30 10 JEEE CC(C)(C)OC(=O)N1CC(C)(OCC(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2283956164 PQRFSZZZBGYRQE-UHFFFAOYSA-N 465.331 2.484 30 10 JEEE CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)NCc1ccccc1B1OC(C)(C)C(C)(C)O1 2283964570 SWSJCRYPSPTWAI-LJQANCHMSA-N 459.396 2.153 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1COC[C@H]1C(=O)NCCc1ccccc1B1OC(C)(C)C(C)(C)O1 2283970200 LLJBZKZDOMMIER-MJGOQNOKSA-N 460.380 2.184 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@@H](C(=O)Nc3cccc(B4OC(C)(C)C(C)(C)O4)n3)[C@@H]2C1 2284018502 OSROCEAVAWATBT-XHSDSOJGSA-N 459.352 2.201 30 10 JEEE CC(C)(C)OC(=O)N[C@H](Cc1ncns1)C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2284060739 QWWDLTHXVDQBMH-CYBMUJFWSA-N 475.380 2.307 30 10 JEEE CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2289797885 SYKOMYOGPXBHHR-ZDUSSCGKSA-N 483.396 2.320 30 10 JEEE Cn1cc(C(=O)N2C[C@@H](C(N)=O)[C@@H](C3CCN(c4ccc(C#N)c(C(F)(F)F)c4)CC3)C2)cn1 2297651131 ZUYLKWPLKCXMPW-RTBURBONSA-N 474.487 2.401 30 10 JEEE CC#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 2333916590 NQXVITVVZHDSGI-XCDZQEORSA-N 465.591 2.273 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCCO[C@@H]2[C@H]1NC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2362572070 WHUGTGIFJNVQCY-UKMLZYKCSA-N 479.408 2.243 30 10 JEEE COc1cccc(/C=N/Nc2nnc(SCC(=O)Nc3ccc(OC)cc3OC)n2N)c1 20293119 IABWGZKLMODJSR-SSDVNMTOSA-N 457.516 2.195 30 10 JEEE CN(C)c1ccc([C@@H]2c3c(nc(NCc4ccc5c(c4)OCCO5)[nH]c3=O)NC(=O)[C@@H]2C#N)cc1 72472490 GKMMLDJJIJMZBO-XLIONFOSSA-N 472.505 2.443 30 10 JEEE NS(=O)(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCO4)[C@H]2c2cccnc2)cc1 170356644 LYEAQVIOTKVTCJ-OAQYLSRUSA-N 477.498 2.447 30 10 JEEE Cc1c(NN=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c(=O)n(-c2ccccc2)n1C 252590893 AWUNHAUGPCTKTF-UHFFFAOYSA-N 497.309 2.298 30 10 JEEE CCc1ccccc1NC(=O)C(CC(=O)/C=C/c1cccc([N+](=O)[O-])c1)=NNC(=S)NN 254291497 RQKWGOZSMSPLNI-OYBDUZOJSA-N 454.512 2.462 30 10 JEEE Cc1ccsc1C=c1sc(=C(C#N)C(=O)NC[C@@H]2CCCO2)n(-c2ccc(F)cc2)c1=O 254878124 YGRNGWICMQCTFF-KRWDZBQOSA-N 469.563 2.206 30 10 JEEE C[C@H]1C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@H]3C(=O)C[C@]2(C)[C@]1(O)C(=O)COC(=O)CCC(=O)O 306121959 NSUOIXNBPZQTLB-CKCQKWCGSA-N 472.534 2.428 30 10 JEEE Cc1cc(C)c(C#N)c(SC2=C(N3CCN(CCO)CC3)C(=O)N(c3ccccc3F)C2=O)n1 526694835 STSKQDQGMMZNKA-UHFFFAOYSA-N 481.553 2.196 30 10 JEEE N#CC1(NC(=O)c2cc(I)cc(I)c2O)CC1 701305352 XFJDKIWDWVDYTL-UHFFFAOYSA-N 454.005 2.387 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)NCc3ccc(N4CCCC4=O)cc3)cc2C1=O 918812080 CYAZYRCCRFSJGG-UHFFFAOYSA-N 461.474 2.069 30 10 JEEE C#C[C@H](NCC(=O)NCCN1C(=O)S/C(=C\c2ccc(OCC)cc2)C1=O)[C@H]1CCCO1 1193594611 XNASDIDJYWTMCF-GMVVCXTISA-N 457.552 2.008 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCCOc1ccc(F)cc1 1286295641 JYMARRQCNYEXAO-XLIONFOSSA-N 479.578 2.067 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2OCCC2(C)C)c1 1286309326 JTKKPACNEONABI-RBUKOAKNSA-N 450.543 2.101 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1CCC1(O)CCC1)[C@H]1CCS(=O)(=O)C1 1286382323 ADQLYYALDQTDLW-ROUUACIJSA-N 476.574 2.489 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCc1ccc(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1286391689 FNVBGJQKNICTEF-PMACEKPBSA-N 488.610 2.059 30 10 JEEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccccc1C1OCCO1 1286401548 RRGCSZPJFLJWCL-RUZDIDTESA-N 450.539 2.485 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1nccn1C(F)F 1286420826 LPZQOADHGKYYFH-UHFFFAOYSA-N 487.536 2.298 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CCC2CCN(CC(F)(F)F)CC2)CC1 1286479549 HJJZXCDPKKUMTR-LJQANCHMSA-N 454.541 2.202 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](OC)C(C)C)CC1 1286492150 IAESBHGOQLQLQA-JOCHJYFZSA-N 464.570 2.366 30 10 JEEE C#CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1286508127 GBYHILVYQMEGPT-QFIPXVFZSA-N 498.653 2.147 30 10 JEEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CCCN(c2nccc(OCC)n2)CC1 1286535778 GETYFIIRPBUGHX-UHFFFAOYSA-N 488.394 2.493 30 10 JEEE C=CCCCn1c(N2CCN(CC(=O)N3CCCC[C@H]3C)CC2)nnc1[C@@]1(OCC)CCOC1 1286704984 LYAUSYRPUWSXKJ-PXDATVDWSA-N 474.650 2.419 30 10 JEEE C=CCNC(=O)Cn1c(N2C[C@H](C)N(CC)C[C@H]2C)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1286793647 ZVJPWSLKKIQKIJ-ZSYWTGECSA-N 475.638 2.270 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCC(Cn2cncn2)CC1 1286815360 SJZRKAIENHFXLA-UHFFFAOYSA-N 471.587 2.063 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CC1CC(F)(F)C1 1286819205 DGQRWBXUCHKHJA-UHFFFAOYSA-N 492.552 2.274 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@H]1CC 1286820205 HAHZGJNIHQBAFL-LJQANCHMSA-N 459.620 2.432 30 10 JEEE CC(C)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CC1(CS(C)(=O)=O)CC1 1287218580 BUOJHJUQMFCNOV-UHFFFAOYSA-N 456.616 2.420 30 10 JEEE CCS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](C(F)(F)F)C1 1297787080 GQFUJYLTSGKSSQ-INIZCTEOSA-N 486.520 2.447 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCCN1CCC[C@@H]1CO 1300309313 SMIJPHHIBQKELH-RBBKRZOGSA-N 466.634 2.147 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCSC2)c1 1300334437 LYFRCKFXAYNEPI-RTBURBONSA-N 487.651 2.380 30 10 JEEE C#CCCCn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1300393462 DRCMEGILKBKHRK-UHFFFAOYSA-N 461.588 2.238 30 10 JEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCOC[C@@H]1CCOC1 1300437942 AFRIPDBFSNPGKV-SFHVURJKSA-N 460.604 2.059 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1CC1(C)COC1)[C@H]1CCS(=O)(=O)C1 1300485126 ULQRMJIHFWHQRI-OALUTQOASA-N 488.610 2.480 30 10 JEEE C#CCN(CC#CC)c1nnc(COc2ccc(C#N)cc2)n1CCS(=O)(=O)C(C)(C)C 1300590562 CBPAITGQVWNOFE-UHFFFAOYSA-N 453.568 2.405 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CCC(=O)N2CCCCCC2)CC1 1300719489 CUNVNTPWMDGCLI-UHFFFAOYSA-N 463.586 2.099 30 10 JEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](Oc2ncccc2F)C1 1301257940 HGSNBRZSDPDTLC-ROUUACIJSA-N 479.578 2.355 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@]2(CCCOC2)C1 1301482973 GLDWKVBZDKDGJD-XMMPIXPASA-N 471.558 2.280 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1301510059 RYNXEGYWZDBDRP-PMACEKPBSA-N 452.559 2.024 30 10 JEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H]1Cc1ccccc1 1301586305 KGUNWFKNZUSLBJ-HXUWFJFHSA-N 457.600 2.213 30 10 JEEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CCCC2)CCO1 1305205043 FMDABPPXCLPPEG-QGZVFWFLSA-N 459.572 2.311 30 10 JEEE COCc1nc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@@H](NC(C)=O)C2)cs1 1315872938 HJOBUFAKXDHMPX-GOSISDBHSA-N 481.582 2.485 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CC1(CCOC)CC1)[C@H]1CCS(=O)(=O)C1 1358957970 DZDLMMJHZAVEJA-IBGZPJMESA-N 458.584 2.397 30 10 JEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1Cc1snnc1C)[C@H]1CCS(=O)(=O)C1 1358964682 DSZBENJNOPJJMG-KRWDZBQOSA-N 477.015 2.357 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@H](C)N(C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1358965145 OQXJJIKSEOLGIN-REWPJTCUSA-N 478.622 2.416 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@@H]2COCCO2)CC1 1359038977 SBMHMYXUFVZHDZ-JOCHJYFZSA-N 453.587 2.325 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCS(=O)(=O)NC(C)C 1359063256 MBWTZVOOLPAWMJ-HSZRJFAPSA-N 472.615 2.467 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1359094421 AWMPVGPDBVZRCH-GBXCKJPGSA-N 498.628 2.154 30 10 JEEE C=CCN(CC=C)c1nnc(Cc2c(F)cccc2F)n1CC1(O)CCS(=O)(=O)CC1 1359273313 WIIPNWHVFGYUFJ-UHFFFAOYSA-N 452.527 2.265 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)S[C@H](C)C1 1359328368 BAQGBWAUFPCPJQ-IYBDPMFKSA-N 484.669 2.280 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2ccc(F)cc2Cl)C1 1359332460 YGKORRCKKZPVBW-QZTJIDSGSA-N 497.980 2.200 30 10 JEEE CC(=O)N1CCC[C@H](Cn2c(C(=O)NC(C)C)nnc2N2C[C@@H](C#N)[C@H](c3ccccc3)C2)C1 1359367630 PNAQWBQTDCTNNX-NNWRFLSQSA-N 463.586 2.418 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(-n2ccnc2)c(F)c1 1359473608 FGRMNZSLDDTCNX-RDJZCZTQSA-N 457.535 2.149 30 10 JEEE Cc1cc(=O)n(CC(=O)NC(C)C)c(C)c1C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 1435853618 CDUXVBXXVBHKQX-UHFFFAOYSA-N 450.474 2.439 30 10 JEEE COCC[S@](=O)Cc1cccc(NC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c1 1476161685 FZWPZUZROXHEKY-WCMFBIDSSA-N 450.561 2.462 30 10 JEEE N#Cc1ccc(OCc2nnc(N3CCO[C@H](C(F)(F)F)C3)n2C[C@H]2CCCS(=O)(=O)C2)cc1 1505319705 IBQORLNNWLYMOA-AEFFLSMTSA-N 499.515 2.321 30 10 JEEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1507583970 YUNMPXMQBJVVTA-GOSISDBHSA-N 471.631 2.345 30 10 JEEE C#CCN(c1nnc(C2CC2)n1CCC1CCN(CC(F)(F)F)CC1)[C@@H]1CCS(=O)(=O)C1 1507631108 MEXIVUXIOWKJHE-GOSISDBHSA-N 473.565 2.447 30 10 JEEE C#CCN(c1nnc(C2CC2)n1C[C@@H](c1c(F)cccc1F)N(C)C)[C@H]1CCS(=O)(=O)C1 1507631155 MOSSLXLMINMMGI-LPHOPBHVSA-N 463.554 2.363 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1CC(C)(C)c1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 1507631462 DOZBXVKMZCYEDM-ICSRJNTNSA-N 472.611 2.395 30 10 JEEE C#CCN(c1nnc(C2CCC2)n1CCc1ccc(OC)c(OC)c1OC)[C@H]1CCS(=O)(=O)C1 1507633590 UDOLTFNOYHZOGK-IBGZPJMESA-N 488.610 2.441 30 10 JEEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@](C)(O)c1ccco1 1507669973 WPAJLWNHJHZBGW-VWLOTQADSA-N 459.554 2.416 30 10 JEEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1cc(OC)c(OC)c(OC)c1 1507677644 FDWBAJCDVUXDCB-UHFFFAOYSA-N 450.499 2.459 30 10 JEEE C#CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1ccc(O)cc1 1507703929 JPFPTBJUFMXWSP-UHFFFAOYSA-N 468.583 2.387 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc4ccccc4o3)n2C[C@@H](COC)OC)CC1 1507733914 DCSOLGKRRRLULF-IBGZPJMESA-N 451.527 2.319 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1507744658 UNUVAWVBWIMFSZ-UHFFFAOYSA-N 495.531 2.187 30 10 JEEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 1507759181 CHOJKSYBBLKPKV-UGKGYDQZSA-N 487.601 2.356 30 10 JEEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(C2CCOCC2)CC1 1507778905 ISEXTLHGDHPHTD-MRXNPFEDSA-N 458.401 2.212 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1508079312 QKEGDPCOTPDPRX-RXVVDRJESA-N 471.558 2.039 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 1508139778 JJRIIQROZFBHIY-QHCPKHFHSA-N 496.637 2.105 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCO[C@H](CCC)C1 1508145930 RACOPKUZPDPUPR-XLIONFOSSA-N 462.572 2.397 30 10 JEEE C=C(Cl)C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1)C(=O)OCC 1535091777 SFDBDAMONAPPCB-SFHVURJKSA-N 458.964 2.286 30 10 JEEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(CC(=O)NC)CC1 1539120410 UVWHBEXKZASDSF-UHFFFAOYSA-N 450.591 2.218 30 10 JEEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@@H](C)c1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 1539229832 IQNVIHIZOPTXOO-TZIWHRDSSA-N 469.611 2.139 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCCO[C@@H]2C(C)(C)C)CC1 1539466716 DTHKNLSLHNRVEX-RTWAWAEBSA-N 484.645 2.321 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H](C)N(C)C)CC1 1539466794 HGPREWZIIACUHR-LJQANCHMSA-N 465.602 2.063 30 10 JEEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(CC(F)(F)F)CC1 1539593973 CNYWOPURFKPKKU-GFCCVEGCSA-N 451.291 2.212 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1539629630 BCUMQKAOLCTXJM-URVUXULASA-N 481.663 2.089 30 10 JEEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1539803712 MFVZHHCLXJWWLA-BTYIYWSLSA-N 466.970 2.198 30 10 JEEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)NCCCCC)CC1 1539804505 XKRYVVXFPLEZJX-KRWDZBQOSA-N 458.028 2.456 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCO[C@H]2CCCC[C@H]2C)CC1 1539847091 AABJUMMGFIZFHL-AABGKKOBSA-N 467.636 2.363 30 10 JEEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1539986229 WNAPURSFGINMNH-FQEVSTJZSA-N 473.599 2.142 30 10 JEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 1540004498 ADFMFFCFWUISNB-VQIMIIECSA-N 495.568 2.107 30 10 JEEE C=C[C@H](CC)CC(=O)N(C)CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 1540682448 KJXNHOFVTRCESM-OAHLLOKOSA-N 457.980 2.360 30 10 JEEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 1540855022 UOIIKCCKMDMVBC-GOSISDBHSA-N 487.586 2.466 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H]2CCC(=O)N2)C1 1540897056 ZHROHPFNPLYFKR-ZJPYXAASSA-N 460.579 2.109 30 10 JEEE CC(C)c1nnc([C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCC(=O)N(C)C)CCO2)o1 1541319832 CVTPVIJSPRUHEZ-SFHVURJKSA-N 464.530 2.379 30 10 JEEE CCC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1)OC 1546908463 HKGGVHAVWSKJAT-LEWJYISDSA-N 452.559 2.459 30 10 JEEE N#CCC1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCCn2cc(CO)nn2)CC1 1555993914 CRZUQGSVFDREKC-UHFFFAOYSA-N 497.991 2.166 30 10 JEEE C#C[C@@H](NC(=O)N1CCN([C@H]2CCCN(c3cc(C)nn3C)C2=O)CC1)c1ccc(F)cc1 1564995665 DXISECDDXQTXRU-RTWAWAEBSA-N 452.534 2.065 30 10 JEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(=O)c2cccc(Cl)c2)CC1 1587807520 FPXCXJXRFRVKNR-QGZVFWFLSA-N 493.033 2.308 30 10 JEEE C#CCCCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1587808473 SEZZSENKSWGVJC-SFHVURJKSA-N 461.588 2.312 30 10 JEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCn2ccnc2C1 1587989060 GHQKHQBCOAWAIM-MSOLQXFVSA-N 455.563 2.115 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCCN(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1588040510 NWRLNFQQAFYLNX-SFHVURJKSA-N 465.023 2.351 30 10 JEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1C[C@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1588060061 YSZHTKRTUDMWOJ-LPHOPBHVSA-N 450.008 2.099 30 10 JEEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2cscc2C(F)(F)F)CC1 1588865292 RZIAONFJFJYPQZ-UHFFFAOYSA-N 452.506 2.284 30 10 JEEE C#CCSCCn1c(COc2cc(C)ccc2C)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1589110660 YILPTMDQXGEDCP-IBGZPJMESA-N 477.656 2.310 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N(C)CC(C)(C)CN1CCOCC1 1589556626 CXXTVJXMKUPZPE-NZQKXSOJSA-N 474.650 2.176 30 10 JEEE C=CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(CCOC)[C@H](CC)C1 1595386772 FJTBTWRZWCJNOZ-GOSISDBHSA-N 451.575 2.408 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1595465936 BMFBHWUSWNOPCH-GOSISDBHSA-N 474.993 2.415 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1595516243 CHGOJNYJYSSGOO-UHFFFAOYSA-N 462.602 2.228 30 10 JEEE C=CCNC(=O)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC[C@@](C)(C#N)C1 1595569393 GPHPSFWZNADJML-SANMLTNESA-N 476.629 2.075 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCOC2(CCC2)C1 1595766805 XUFYGRJOGLGJKM-UHFFFAOYSA-N 492.598 2.331 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(OC[C@H]2CCOC2)CC1 1595777104 IOHZZEVDHLKHQO-FQEVSTJZSA-N 485.610 2.439 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@H](C(C)C)C1 1595778053 VDAWLYGGVCTDME-FQEVSTJZSA-N 464.588 2.424 30 10 JEEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2c[nH]cc(I)c2=O)c1 1596330109 OUEIEFZLEUBPTQ-UHFFFAOYSA-N 456.261 2.029 30 10 JEEE CC(C)(C)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCS(=O)(=O)C2)CCO1 1597204194 GGCWLNSBZUYESS-QUCCMNQESA-N 473.599 2.415 30 10 JEEE C#CCN(C(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)[C@H]1CCCc2ccccc21 1597625569 ARCZTQQIGDAZAA-QFIPXVFZSA-N 453.564 2.206 30 10 JEEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1cn2ccsc2n1 1611633525 HLRAZJVTQVKUBK-CQSZACIVSA-N 455.569 2.444 30 10 JEEE CCO[C@]1(c2nnc(N3CCN(Cc4ccc(C#N)cc4)CC3)n2C[C@@H](C)N(C)C)CCOC1 1616257333 HCGVCOAZLFWCLY-CJFMBICVSA-N 467.618 2.074 30 10 JEEE CCOc1ccccc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(C#N)C1 1616453131 DFSJTQXWDVTZJK-NZQKXSOJSA-N 488.614 2.188 30 10 JEEE CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCCN1CCCC[C@@H]1C 1616910008 ARBLHIYGCQUWKB-IBGZPJMESA-N 469.638 2.319 30 10 JEEE C=CCn1c(SCC(=O)N[C@H]2CC(=O)N(C)C2=O)nnc1-c1ccc(Cl)cc1Cl 1617825714 XASWTIHVXLJSID-ZDUSSCGKSA-N 454.339 2.404 30 10 JEEE CN(Cc1ccc(C#N)cc1)c1nnc(CC(C)(C)C)n1CCNS(=O)(=O)Cc1ccon1 1617869505 ADVFNCCSMHDBIR-UHFFFAOYSA-N 471.587 2.482 30 10 JEEE COc1cc(OC)cc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@H]2CCCN2CCCO)c1 1619130459 CFMARNGUSMBADZ-WZONZLPQSA-N 458.538 2.251 30 10 JEEE N#Cc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCn2cc(Br)cn2)cc1 1620350525 HWXFKRZAMBHZFE-KRWDZBQOSA-N 453.304 2.205 30 10 JEEE 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 1626456788 WKYXUMVDUQNTDS-AKHDSKFASA-N 456.605 2.383 30 10 JEEE CCOc1ccc(S(=O)(=O)NCC(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)cc1 1638486543 CNQOPMOINMBPPH-UHFFFAOYSA-N 458.540 2.137 30 10 JEEE CC(C)CNC(=O)[C@@H]1CSCN1S(=O)(=O)c1cc(Br)c(C#N)cc1F 1660531035 CHJNNLZICWERAG-ZDUSSCGKSA-N 450.355 2.296 30 10 JEEE C#C[C@H](NS(=O)(=O)c1cccc(S(=O)(=O)N(C)C)c1)c1ccc(Br)cc1 1662182518 WWVWOEWRMBRUMP-KRWDZBQOSA-N 457.371 2.352 30 10 JEEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 1676859649 ZCKPGEPKYMEOCL-UHFFFAOYSA-N 454.579 2.081 30 10 JEEE CC[C@@H](C#N)Oc1cccc(CNC(=O)NC[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)c1 1678974939 AQUQRIROBJJTTJ-MOPGFXCFSA-N 452.511 2.491 30 10 JEEE COc1cc(C[C@H](CO)CNC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)cc(OC)c1 1683843119 GPNKQENAUDCBMO-IBGZPJMESA-N 453.543 2.090 30 10 JEEE C#CCCCCn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1689893130 UYTFOWPYGUTXOH-BHIFYINESA-N 456.635 2.212 30 10 JEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@H](C)c1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 1689978480 WJDMDNVXXDLLTQ-FPOVZHCZSA-N 469.611 2.253 30 10 JEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)c1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 1689978482 WJDMDNVXXDLLTQ-TZIWHRDSSA-N 469.611 2.253 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H](C)SC)[C@@H]1CCS(=O)(=O)C1 1689981749 AQNIZTIUYPWIMI-DOTOQJQBSA-N 464.613 2.341 30 10 JEEE C#CCN(c1nnc(-c2ccccc2)n1CC(=O)N(C)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1689984294 MWTJKDXFYQSLAA-OAQYLSRUSA-N 469.611 2.363 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCOC1CCCC1)[C@H]1CCS(=O)(=O)C1 1689991302 ZMJLYSLCMBIWHV-MOPGFXCFSA-N 450.605 2.148 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1CCS(=O)(=O)c1ccccc1 1690022607 LLXBWULNPLPHHW-UHFFFAOYSA-N 458.547 2.063 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1690096248 QEGRMHMRHFWTJV-YADHBBJMSA-N 482.610 2.107 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCCNC(=O)C(C)C)CC1 1690133298 AYMCIICHQNFHHS-UHFFFAOYSA-N 458.994 2.428 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3OCC)n2CCC(=O)NC(C)(C)C)CC1 1690133890 YCAJFOSZASCHPL-UHFFFAOYSA-N 468.602 2.316 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC(=O)NCCC)CC1 1690137311 UJFIODZINPYXHN-KRWDZBQOSA-N 470.549 2.049 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2CCO[C@@H]2C(C)C)CC1 1690137825 JTPOOXIECHYTPM-DRLORSAXSA-N 487.645 2.346 30 10 JEEE C#CCSCCn1c(N2CCN(C(=O)c3ccc(F)cc3)CC2)nnc1[C@@]1(OCC)CCOC1 1690185599 ATGKTWKXWPAIPS-XMMPIXPASA-N 487.601 2.398 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1690237170 WEYVYODYOAZQKO-NQIIRXRSSA-N 482.585 2.066 30 10 JEEE C=C(Cl)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC(=O)N(C)[C@H](C)C1 1690345700 BALGPZIVWJYKEF-HUUCEWRRSA-N 454.959 2.006 30 10 JEEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2cscn2)CC1 1690420236 KYONQFRLNIVFBG-INIZCTEOSA-N 467.665 2.269 30 10 JEEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCCN(C(=O)C(C)C)CC1 1690497103 HOZJAHZRHYTKLJ-UHFFFAOYSA-N 455.563 2.213 30 10 JEEE C=CCN(CC=C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN1CCOC[C@H]1C 1690591900 ZEPNRYZSFCXMLW-GOSISDBHSA-N 459.620 2.137 30 10 JEEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N(C)C1CCC(NC(C)=O)CC1 1690672323 OSXHMPLYGAFCBC-UHFFFAOYSA-N 460.529 2.333 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2c(F)cc(F)cc2[C@@H]1C 1690723584 WHBVEPPDNDJURF-UGSOOPFHSA-N 465.526 2.232 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@H](CC)O[C@H](C)C1 1690724101 ICEJWUXYEGIIAR-QUCCMNQESA-N 489.646 2.057 30 10 JEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1690746777 JOWARGLKRWDQMK-MRXNPFEDSA-N 483.063 2.474 30 10 JEEE CC(C)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC(F)(F)F)[C@@H](C)C1=O 1692423745 FVUSVWKFLWDCAG-HNNXBMFYSA-N 477.491 2.188 30 10 JEEE CCOC1CC(O)(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)Cc2ncnn2CC(F)F)C1 1696200566 HWVXXEUCSHKHNR-UHFFFAOYSA-N 472.500 2.240 30 10 JEEE CNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)OC(C)(C)C)C1 1696941637 GMMMGWNUADNGDF-SFHVURJKSA-N 453.547 2.304 30 10 JEEE COCCN1C[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(NC(C)C)CC2)CC1=O 1698075976 HMXGLPUUDJNQIT-HXUWFJFHSA-N 465.602 2.278 30 10 JEEE CS(=O)(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCCCC2)CC1 1698313019 DQIQZOARMCCSOD-UHFFFAOYSA-N 458.588 2.030 30 10 JEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CCCO[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1705559770 BDMFBAOLCFQWQZ-WOJBJXKFSA-N 479.002 2.421 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@H]1CC(=O)N(CCOC)C1 1705595327 OHHKRKZUWUIJNW-OAQYLSRUSA-N 471.565 2.089 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1C[C@H]1CCCCS1(=O)=O 1705621377 YMKVFAUHCSZYEN-HXUWFJFHSA-N 473.574 2.147 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1CCn1cc(Br)cn1 1705624603 IBUMKHNSXZISRQ-UHFFFAOYSA-N 473.331 2.419 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@H]2CCCc3cccnc32)CC1 1705645667 ZSFMDCMQVCTOCU-UGKGYDQZSA-N 480.613 2.483 30 10 JEEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2cccc(OCC)n2)CC1 1705658713 YISKCFNPUGQTTN-UHFFFAOYSA-N 452.588 2.165 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1705708834 HXPDMWGSXIHGCP-RXVVDRJESA-N 457.579 2.229 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCCOc1ccc(F)cc1 1705755341 RPZFVYPGLXDYCM-SFHVURJKSA-N 487.985 2.408 30 10 JEEE C=CCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1705787460 TVJXUPZCGNLJIH-ICSRJNTNSA-N 459.639 2.007 30 10 JEEE C=CCN(CCc1ccco1)c1nnc(C(=O)Nc2ccccn2)n1C[C@@]1(O)CCO[C@H]1C 1705878638 VUVCYSGSOZJUIO-SBUREZEXSA-N 452.515 2.293 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[C@H](COC)C1 1705898077 ACRQWBKHVJTBEZ-AWEZNQCLSA-N 464.364 2.491 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](COC(C)C)C1 1705912306 GBVNCHKVTGPDHS-UXHICEINSA-N 455.559 2.473 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1705935623 XICOFEHXXLSTNW-DLBZAZTESA-N 466.947 2.237 30 10 JEEE CC(C)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCc2cnn(C)n2)CC1 1706573797 BDLHNUJCDOKWQG-UHFFFAOYSA-N 463.590 2.411 30 10 JEEE CN(CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@@H](C#N)C1)CC(F)(F)F 1711207090 AXXBNQVKRNSBIY-LBPRGKRZSA-N 462.274 2.259 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2c(CC)noc2C)c1 1722308580 CMAFWYVHEYVMSS-SFHVURJKSA-N 496.593 2.144 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1c(F)cc(F)c(F)c1F)[C@@H]1CCS(=O)(=O)C1 1722369156 ZFYYBPBUBFPRKR-CHWSQXEVSA-N 472.464 2.013 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2Cc2ncccc2N(C)C)CC1 1722432748 CNEWNKRSYMXLOJ-UHFFFAOYSA-N 483.418 2.311 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CCNC(=O)C(C)C)CC1 1722436185 YZBJQZIFZMEOIP-UHFFFAOYSA-N 468.602 2.268 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2nnc(C)s2)CC1 1722445253 NJJXVFDEQVNMCD-UHFFFAOYSA-N 460.567 2.185 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2CC(C)(C)N2CCOCC2)CC1 1722445506 SIAKMIMGVKDPCN-UHFFFAOYSA-N 480.613 2.030 30 10 JEEE C=C(C)COCCn1c(N2CCCN(C(=O)C3CC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1722538775 WBUQLNYSBRPESQ-XMMPIXPASA-N 461.607 2.360 30 10 JEEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C(=O)NCCCC)CC[C@@H]1C 1722543035 KQEAMHQENQHGJW-HRCADAONSA-N 461.032 2.162 30 10 JEEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1722628341 ANBQGYPNKGWUAW-SBUREZEXSA-N 460.579 2.097 30 10 JEEE CC(C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1723628793 AIBIXKSJSVHWJB-UHFFFAOYSA-N 475.601 2.177 30 10 JEEE Cc1nn(C)c(N2CCN(c3nnc(-c4cccn4C)n3CC[S@](=O)C(C)(C)C)CC2)c1C#N 1725865702 BCMINKPPMXQNNF-UMSFTDKQSA-N 483.646 2.071 30 10 JEEE Cc1nn(C)c(N2CCN(c3nnc([C@H]4CCCCO4)n3CC(C)(C)CN(C)C)CC2)c1C#N 1725867443 IEAPUNBECXPLCF-HXUWFJFHSA-N 469.638 2.348 30 10 JEEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H]1CCCCO1 1729396260 BFZAFXAPSWBXIC-LEWJYISDSA-N 488.614 2.078 30 10 JEEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC[C@H](C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1740622444 CWKSKCAPIJKNOC-IHPCNDPISA-N 455.584 2.050 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCC[C@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1740628163 VXEVECIRVZVMDI-VAMGGRTRSA-N 450.605 2.148 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(NC(C)=O)nc1 1740648594 IQZAUTGWDNONCJ-XMMPIXPASA-N 450.543 2.183 30 10 JEEE C#CCN(CCOC)c1nnc(Cc2ccncc2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1740686772 MKCNTZRXTCXJGI-HXUWFJFHSA-N 461.570 2.018 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2CCNC(=O)C(C)(C)C)CC1 1740704090 KCMYRWXIQFHVFE-UHFFFAOYSA-N 466.586 2.082 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1CN1CCCC1=O 1740725864 VPKMYEHHRVURAH-MHECFPHRSA-N 484.626 2.051 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)Nc1c(C)cccc1C)C1CC1 1740910759 SAOJHBWITXYISS-IBGZPJMESA-N 488.614 2.021 30 10 JEEE C=CCSCCn1c(N2CCN(C(=O)c3ccccn3)CC2)nnc1[C@@]1(OCC)CCOC1 1741004836 NQMWBFJUZYLHAW-HSZRJFAPSA-N 472.615 2.207 30 10 JEEE CCCOc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H](C)N2CCN(CC)CC2)cc1OC 1745808431 HFQYDIZLROKGIV-RBBKRZOGSA-N 497.644 2.497 30 10 JEEE C#CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1748717745 HNSMVLPOYVBBHS-QZTJIDSGSA-N 481.619 2.013 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1cnn(CC(C)C)c1C)[C@@H]1CCS(=O)(=O)C1 1748812339 SUICXZLUJLHACG-LJQANCHMSA-N 455.588 2.109 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1Cc1cccc(NC(=O)OC)c1)[C@H]1CCS(=O)(=O)C1 1748821823 VPXQBZIQJDAEQM-IBGZPJMESA-N 457.556 2.084 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(-c3ccccc3)on2)n1CC1(C(N)=O)CCOCC1 1748888478 XDSNTGSDGXUILH-UHFFFAOYSA-N 458.522 2.345 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@](C)(OC)C1CC1 1748964022 DVSRXXOMJVDCNZ-YADARESESA-N 477.606 2.488 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(=O)NC2CCCCC2)CC1 1748980081 YJQZFQFDMFPTTK-UHFFFAOYSA-N 451.531 2.057 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2CCCN2CCCCC2=O)CC1 1748999436 VVRJNSXSBIIZEK-UHFFFAOYSA-N 450.587 2.323 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CCCCN2CCC[C@H]2CO)CC1 1749015130 SMFVXLHHDXGTBB-NRFANRHFSA-N 458.651 2.069 30 10 JEEE C#CCSCCn1c(CCOc2ccccc2)nnc1N1CCN(c2cnn(C)c2)CC1 1749044635 SWTMRRCKMUDZFZ-UHFFFAOYSA-N 451.600 2.326 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc2c(c1)OCCO2 1749229548 LLXHATMQMSXFFM-SFHVURJKSA-N 462.572 2.181 30 10 JEEE C=CCn1c(CC2CCCC2)nnc1N1C[C@@H]2[C@@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1749638150 ZGEMBLQHBOJDAH-SQNIBIBYSA-N 465.620 2.323 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1749660429 OZNMHIPJBNDVGO-BXKMTCNYSA-N 471.558 2.039 30 10 JEEE C[C@@H]1COCCN1CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1752419839 FXCIZSKQDDOSGX-HXUWFJFHSA-N 495.628 2.144 30 10 JEEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](COCCOC)C1 1760154768 HZRQFQAPADIBHT-PMACEKPBSA-N 477.606 2.489 30 10 JEEE C#CCN(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1760167859 FPSZKXXLJHDTAB-KRWDZBQOSA-N 461.588 2.092 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1CCCCCO)[C@H]1CCS(=O)(=O)C1 1760183779 RFXAVMROIZHWSC-KRWDZBQOSA-N 466.991 2.396 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1Cc1cccnc1OCC)[C@H]1CCS(=O)(=O)C1 1760185188 RTQUSPVNHDJBBX-IBGZPJMESA-N 481.578 2.422 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1CCCCNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1760185902 GTPJULQHAKNNDB-GOSISDBHSA-N 467.636 2.408 30 10 JEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1C[C@@H](C)SC)[C@@H]1CCS(=O)(=O)C1 1760191882 OKOXBZIKZAPDRN-IEBWSBKVSA-N 462.641 2.450 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1760192026 CPRAQMRPDHBOQK-PWRODBHTSA-N 477.675 2.309 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1c(CC)nn(C)c1OC 1760226396 DFOVEBAUQHSJFB-UHFFFAOYSA-N 456.572 2.161 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1760246495 YWKPWKGVTLRHIZ-YADHBBJMSA-N 482.610 2.107 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](c2ccsc2)N(C)C)CC1 1760252285 PEUYKMCURJEBIT-IBGZPJMESA-N 464.599 2.045 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@](C)(O)CCC)CC1 1760266757 LLXZLFOHYGZRHM-RUZDIDTESA-N 469.586 2.479 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(CC)s2)CC1 1760270870 CYWKEWIKBHUMIH-UHFFFAOYSA-N 454.600 2.039 30 10 JEEE C#CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(CC(N)=O)CC1 1760281321 MIDNUYPZQMGOFY-SFHVURJKSA-N 492.646 2.045 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccn2C)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1760318325 FOBSDIDHCKXJTB-BJLQDIEVSA-N 462.620 2.030 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1ccc(C(N)=O)nc1 1760329816 LKNOFZOIWWWMGQ-UHFFFAOYSA-N 482.614 2.491 30 10 JEEE C=CCCOCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCN(C(=O)NC)CC1 1760447087 JBDILWSBWUEPLP-UHFFFAOYSA-N 450.547 2.389 30 10 JEEE C=CCCOCCn1c(-c2ccc[nH]2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1760448952 VQSZKDSTOSLKFJ-KNQAVFIVSA-N 455.607 2.245 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCOC2)n1C[C@H]1CCCN1S(C)(=O)=O 1760498706 BPRUMSCBDAXRLD-NHCUHLMSSA-N 459.616 2.441 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(c3ccccc3)CCOCC2)C1 1760535800 XILNSUZUBHACDC-FPOVZHCZSA-N 489.642 2.418 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCc2ccc(OC)cc2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1760557703 UIZOTLUJKHIAHA-DVECYGJZSA-N 490.626 2.057 30 10 JEEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(C1)OCc1ccccc12 1760559862 LSZOFWXIOGNQEH-IERDGZPVSA-N 463.629 2.443 30 10 JEEE C=CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1760563145 IZSIIGYGRQIFHN-GOSISDBHSA-N 463.571 2.268 30 10 JEEE CCCNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCC(=O)N(C)C)C1 1764508522 GZAMBQCCUOHGTL-FQEVSTJZSA-N 451.575 2.428 30 10 JEEE CCN(CCCn1c(CC2CC2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1)S(C)(=O)=O 1765221838 CQEVELHVLUNNBF-NRFANRHFSA-N 472.615 2.352 30 10 JEEE CCO[C@@]1(c2nnc(N3CCN(c4ccc(C#N)cn4)CC3)n2CC(F)(F)F)CCOC1 1765911624 DJPDIZGKHFENON-IBGZPJMESA-N 451.453 2.086 30 10 JEEE CN(C)c1ccc(Cn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N2CC[C@](F)(C#N)C2)cn1 1766909343 ATGSUXSUWPHEMX-QHCPKHFHSA-N 498.588 2.147 30 10 JEEE CCO[C@H](CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1)C(C)C 1767352217 BBFMNZLZAZUVQN-JOCHJYFZSA-N 467.618 2.478 30 10 JEEE CS(=O)(=O)[C@H]1CCCCN(c2nnc(-c3ccc(C#N)cc3)n2CCC2(O)CCOCC2)C1 1771344090 BTBATENATBBBAI-FQEVSTJZSA-N 473.599 2.152 30 10 JEEE C[C@H]1CN(C(=O)NS(=O)(=O)c2ccc(CCNC(=O)c3cccc(C#N)c3)cc2)C[C@H](C)O1 1858987975 VNEGMBFFKZBJKE-IRXDYDNUSA-N 470.551 2.038 30 10 JEEE COc1cccc(OC)c1C(=O)Nc1c(C#N)nnn1Cc1cc([N+](=O)[O-])cc2c1OCOC2 1870105160 CUVRQBLMUWLHFX-UHFFFAOYSA-N 466.410 2.242 30 10 JEEE C=CCn1cc(OCC(=O)Nc2cccc(Cl)c2Cl)c(=O)cc1CN1CCN(CCO)CC1 1870742383 BTGBMTXMFCIFEP-UHFFFAOYSA-N 495.407 2.469 30 10 JEEE CCN(CC)c1cccc(OCC#CCNC(=O)c2c3c(nn2[C@@H]2CCS(=O)(=O)C2)CCC3)c1 1890325452 AYPWRERZJQTLFH-HXUWFJFHSA-N 484.622 2.390 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)NCCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2180981674 WCJLBWINUQXYRH-OALUTQOASA-N 460.380 2.015 30 10 JEEE CC1(C)OB(c2ccc(CS(=O)(=O)NCCNC(=O)OCc3ccccc3)cc2)OC1(C)C 2247901245 HRCRVYBQTJEFOP-UHFFFAOYSA-N 474.388 2.332 30 10 JEEE CC(C)(C)OC(=O)N[C@@]12C[C@@H]1CN(S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)C2 2255795562 HOTJTOFWVSDAJJ-ZUOKHONESA-N 470.422 2.335 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](NC(=O)c2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2255801005 IVBPYPMGKOLRRC-CABCVRRESA-N 452.382 2.147 30 10 JEEE CCON(C(=O)c1nscc1B1OC(C)(C)C(C)(C)O1)C1CN(C(=O)OC(C)(C)C)C1 2255808541 KYABFROLVBAVRF-UHFFFAOYSA-N 453.370 2.455 30 10 JEEE CC1(CCC(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)CN(C(=O)OC(C)(C)C)C1 2256623563 RMRDAPJDPUMDKC-UHFFFAOYSA-N 452.386 2.235 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1COC[C@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1F 2266977292 XCWYTIDRYZUCQV-SJORKVTESA-N 450.316 2.147 30 10 JEEE CC(C)(C)OC(=O)NCCc1n[nH]c(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)n1 2267129610 CZKDEEQKMBPPFM-UHFFFAOYSA-N 463.369 2.485 30 10 JEEE Cc1nc(C(=O)N2CC[C@H](NC(=O)C(F)(F)F)C[C@H]2C)c(B2OC(C)(C)C(C)(C)O2)s1 2267165675 IODWQNDGAVEVHL-PWSUYJOCSA-N 461.315 2.422 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2[C@@H]1NC(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2267287295 UVELIRRPHGWICG-XZDPQHSOSA-N 464.393 2.458 30 10 JEEE CC(C)(C)OC(=O)N1CCN(c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C[C@@H]1CCO 2269004071 GQKZEHXBSZKLOZ-INIZCTEOSA-N 451.348 2.328 30 10 JEEE Cn1ncc(C(=O)N[C@@H]2CC[C@H]3C[C@H]2CN3C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2281824141 IZLBHEBGVOHNBP-YQQAZPJKSA-N 460.384 2.237 30 10 JEEE Cn1ncc(C(=O)N2CC[C@]3(CCN(Cc4ccccc4)C3)C2)c1B1OC(C)(C)C(C)(C)O1 2281825888 CEQYQOQRNFHPQS-VWLOTQADSA-N 450.392 2.458 30 10 JEEE Cn1cc(C(=O)N2C[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@H]3C2)c(B2OC(C)(C)C(C)(C)O2)n1 2281961109 ITQMIEUIHVYBBS-HOTGVXAUSA-N 460.384 2.048 30 10 JEEE Cn1cc(C(=O)N2CC[C@H](CNC(=O)OC(C)(C)C)C2(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2281975097 ICKFEAWINFVWRS-OAHLLOKOSA-N 462.400 2.485 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2CN(C(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)C[C@H]2C1 2281990144 JLXQISLSCNBGCG-BZUAXINKSA-N 460.384 2.474 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@@H]1CN(CCO)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2282002457 OMVADLYAKKJZIQ-OAHLLOKOSA-N 481.424 2.276 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2C1 2282045672 ZZDAPNYWKSFEDZ-JKSUJKDBSA-N 460.384 2.048 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2O)c1 2282108386 XPAPZQWETIAOTL-MOPGFXCFSA-N 460.380 2.394 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC2(O)CC(NC(=O)OC(C)(C)C)C2)c1 2282121447 CBHBLFACDVMADV-UHFFFAOYSA-N 460.380 2.442 30 10 JEEE CC1(C)OB(c2cncc(C(=O)NC3(CN)CCN(Cc4ccccc4)CC3)c2)OC1(C)C 2282184012 NICTYVZGCPVYQD-UHFFFAOYSA-N 450.392 2.104 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCCO[C@@H]2[C@H]1NC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2282525916 NRTRTIANPICADW-YVVXQTMVSA-N 479.408 2.243 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCCC3(CN(C(=O)OC(C)(C)C)C3)C2)n1 2282555711 XMKBJGSNVBTDIF-UHFFFAOYSA-N 460.384 2.192 30 10 JEEE Cc1nn(C)c(C(=O)N2CC[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2282560213 TXOSAZVRWCRTTA-ZBFHGGJFSA-N 462.400 2.403 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](CNC(=O)c3ncc(B4OC(C)(C)C(C)(C)O4)cn3)C[C@H]21 2282616168 XTEMLDNXXAVEGH-USXIJHARSA-N 458.368 2.151 30 10 JEEE CC1(C)OB(c2csc(S(=O)(=O)N3C[C@@H]4OCCN(Cc5ccccc5)[C@@H]4C3)c2)OC1(C)C 2282847631 BLOGFPLJGSNYMM-UXHICEINSA-N 490.456 2.321 30 10 JEEE C[C@@H](NC(=O)C1(CO)CN(C(=O)OC(C)(C)C)C1)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2283974687 VXUZZNCIXASVIB-MRXNPFEDSA-N 460.380 2.392 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCN(CC(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2283976122 ZEHBPBJZQCXCJJ-HNNXBMFYSA-N 464.347 2.057 30 10 JEEE CO[C@H](C)[C@@H](CC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)c(C)n1)NC(=O)OC(C)(C)C 2283984278 UNYULDOETGWBHV-GDBMZVCRSA-N 464.372 2.341 30 10 JEEE CC(C)(C)OC(=O)N[C@H](C(=O)N1CCc2sc(B3OC(C)(C)C(C)(C)O3)cc2C1)C1COC1 2283992059 WOJHGZZDDXRFKF-SFHVURJKSA-N 478.420 2.472 30 10 JEEE CN(Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)[C@]1(NC(=O)OC(C)(C)C)C[C@@H](O)C1 2284048152 JLHFJCPWYPIEQD-OWWJJEGGSA-N 460.380 2.362 30 10 JEEE C[C@@H](NC(=O)[C@@H](CCC(N)=O)NC(=O)OC(C)(C)C)c1cscc1B1OC(C)(C)C(C)(C)O1 2284134389 CMVQVCNDXBGOBY-CZUORRHYSA-N 481.424 2.383 30 10 JEEE CCn1c(N2CCCC2)c(C=C2SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)c(C)c(C#N)c1=O 2314462111 PUKXDPIJQVRZJD-AWEZNQCLSA-N 492.648 2.037 30 10 JEEE C=CCN(CC=C)c1nc(NC(=O)C=Cc2ccc(C(=O)OC)cc2)n([C@H]2CCS(=O)(=O)C2)n1 2331674751 IAXKVLJDCYVQQU-IBGZPJMESA-N 485.566 2.255 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCCC[C@H](C)NC(=O)OC(C)(C)C)n1C 2337177913 ZHGBSFHKVFVRRD-AWEZNQCLSA-N 450.389 2.451 30 10 JEEE Cn1cnc(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 2362454487 ZWKGFWYNVSYLRI-JJXSEGSLSA-N 460.384 2.141 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(C)[C@H](C)C2CN(C(=O)OC(C)(C)C)C2)n1C 2362566227 FVBIBXLNSWFAED-CQSZACIVSA-N 462.400 2.355 30 10 JEEE CC(C)(C)OC(=O)NCCOCCNC(=O)c1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1O 2364966458 HNJGOBALUFEFQR-UHFFFAOYSA-N 468.331 2.102 30 10 JEEE Cn1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H]3CCC[C@@H]32)c(B2OC(C)(C)C(C)(C)O2)n1 2367685259 QHSLVTNLIQOIHR-DLBZAZTESA-N 460.384 2.333 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(C)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2F)n1 2369670638 URIQHNNPWKZJFK-HOTGVXAUSA-N 466.363 2.232 30 10 JEEE CN(C)c1ccc(/C=N/Nc2nc(SCCC(=O)Nc3ccc(S(N)(=O)=O)cc3)n[nH]2)cc1 20832763 NNMAKFYUEHWEFP-LPYMAVHISA-N 488.599 2.085 30 10 JEEE COc1ccc(CNc2nc3c(c(=O)[nH]2)[C@H](c2ccc4c(c2)OCCO4)[C@H](C#N)C(=O)N3)cc1 72472369 IPTCJAUCQDXDFB-QFBILLFUSA-N 459.462 2.386 30 10 JEEE C#CCN1C(=O)[C@H]2[C@H](C1=O)[C@](Cc1c[nH]c3ccccc13)(C(=O)O)N[C@H]2c1ccccc1OC 248243411 KGEHJLKNKNGBII-IMIIHFCZSA-N 457.486 2.121 30 10 JEEE COCCN=c1scc(-c2ccc(O)c(C(N)=O)c2)n1N=Cc1ccc(OC)cc1OC 254498729 PMJRDOLOFVKHQJ-UHFFFAOYSA-N 456.524 2.468 30 10 JEEE C=CCn1c(=O)c2ccccc2n2c(=S)n(CN3CCN([C@@H](C)C(=O)NC4CCCC4)CC3)nc12 728905729 IGZCEFGVDXJYEH-SFHVURJKSA-N 495.653 2.389 30 10 JEEE COc1ccc(CCNC(=O)CSc2n[nH]c(NN=Cc3ccc(O)cc3O)n2)cc1OC 1084010537 WTJBXTOJWTYEIL-UHFFFAOYSA-N 472.527 2.130 30 10 JEEE COc1cc(C=NNc2nnc(SCC(=O)N[C@H](C)c3ccccc3)n2N)cc([N+](=O)[O-])c1O 1084538112 MEBTUJQANMCATQ-GFCCVEGCSA-N 486.514 2.030 30 10 JEEE Cc1nc(C#N)c(N2CCC(C(=O)N3CCN(CCN(C)Cc4ccccc4)CC3)CC2)o1 1144537132 HQIWXPBYRIFOEH-UHFFFAOYSA-N 450.587 2.347 30 10 JEEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCCN(c3ncccc3F)CC2)CC1 1169481044 AVEOUDFBJXBUDP-JOCHJYFZSA-N 454.525 2.281 30 10 JEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2ccc(OC)c(F)c2)CC1 1286323731 MMJIZWIZHYAVRY-FQEVSTJZSA-N 489.617 2.454 30 10 JEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2c(C)cccc2C1 1286324851 SJTHJPUZYQLZEK-OAQYLSRUSA-N 457.600 2.286 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H](C(C)C)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1286387910 WLFPVVNHICAOFC-CTNGQTDRSA-N 456.616 2.087 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@H](C)N1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1286395638 SAIOYWITHSWRQO-JAXLGGSGSA-N 470.643 2.011 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@](C)(O)c1cc(C)oc1C 1286400580 CLNRBTLVDABQIF-RUZDIDTESA-N 495.605 2.386 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@@H]1CCCS(=O)(=O)C1 1286402170 BGPZFTPQIIOBKO-SFHVURJKSA-N 456.568 2.250 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(F)ccc3Br)n2CCCn2ccnn2)CC1 1286472985 GIVAGVPZLKYGLS-UHFFFAOYSA-N 473.354 2.284 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2C[C@H](c2cccc(OC)c2)N(C)C)CC1 1286481589 GUBOFKUSAPBGNK-XMMPIXPASA-N 459.598 2.331 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1286507987 FDKCRVQHVDLSEX-ZWKOTPCHSA-N 497.687 2.382 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1286549043 VZTHVEIEXIWKQO-NCOADZHNSA-N 495.568 2.417 30 10 JEEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 1286699491 DWQQEBXKUMIHIJ-QGZVFWFLSA-N 461.588 2.447 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCc2cccnc21 1286758132 FCPBAGPLUFIEAG-UXHICEINSA-N 472.615 2.305 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC(NC(=O)Nc2ccc(F)cc2)CC1 1286789555 UPGITXGNTYQRQO-UHFFFAOYSA-N 492.559 2.496 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCO[C@H](C)C1 1286815630 BZJFJRCTQJLOMH-MRXNPFEDSA-N 450.561 2.178 30 10 JEEE CCN(CC)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCC[C@H]2C)CC1 1295335767 GUJSIMSEPQINKC-FQRUVTKNSA-N 479.629 2.358 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1CCN(Cc2cccs2)CC1 1300270557 DAAGIULNJOYPPT-IRXDYDNUSA-N 464.661 2.320 30 10 JEEE C#CCN(c1nnc(C)n1Cc1cccc(NC(=O)C2CCCC2)c1)[C@@H]1CCS(=O)(=O)C1 1300484694 RIQSDBYSMGNEJH-OAQYLSRUSA-N 455.584 2.390 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CC1CCC(OC)CC1)[C@H]1CCS(=O)(=O)C1 1300502010 PCSHEMXWKIJQQP-KBWCOIMZSA-N 457.600 2.096 30 10 JEEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CC[C@@H](F)C1)[C@H]1CCS(=O)(=O)C1 1300504627 PEFXHFRJYUJQQL-ZACQAIPSSA-N 479.603 2.035 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCc2ccn(C)n2)CC1 1300700500 RGXQOJXDVJVIKS-HXUWFJFHSA-N 482.633 2.124 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CC(=C)C)CC1 1300715868 GUJNVFRABPNIGN-UHFFFAOYSA-N 469.615 2.089 30 10 JEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)NC2CCCCC2)CC1 1300732410 NBECYKGUWXPIII-UHFFFAOYSA-N 460.648 2.448 30 10 JEEE C=C(Br)Cn1c(CC2CC2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1300853170 LAMOFQXWQTUTEJ-KDOFPFPSSA-N 451.413 2.128 30 10 JEEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(Cl)=C(Cl)C1 1301496773 GRTKVWKLLJTTET-UHFFFAOYSA-N 484.413 2.440 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1301510158 UKDUTCKCWZCYBL-QFIPXVFZSA-N 479.585 2.186 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2cccc(S(=O)(=O)NC)c2)C1 1301556650 ITUAHSKFNQVQBK-QUCCMNQESA-N 461.588 2.257 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1C[C@H](C)CC[C@@H]1C 1301579441 RTFVPAIHRGGEAI-SJORKVTESA-N 480.660 2.464 30 10 JEEE CC(C)OCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCOC2)CC1 1303572312 CNIATEMYQJEOBC-OAQYLSRUSA-N 454.575 2.312 30 10 JEEE CCCc1nc(C)c(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(S(C)(=O)=O)CC2)o1 1306605835 BDPJBBJUVSNXTN-UHFFFAOYSA-N 469.571 2.196 30 10 JEEE C#CCN1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CCSC(C)C)CC1 1359034513 UCCXALNLZPNQKN-UHFFFAOYSA-N 461.661 2.135 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCCc2cnn(C)c2)CC1 1359042821 VKLUSRBNHGYFCA-UHFFFAOYSA-N 491.596 2.294 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)C[C@@H](C)CC 1359098783 FXUZIXLMDWFZPB-NMLBUPMWSA-N 469.652 2.465 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1359105218 LQKOJZVLRZBRCG-REWPJTCUSA-N 457.623 2.468 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCS(=O)(=O)C1 1359254275 KMDVGAJDIRNGLS-SFHVURJKSA-N 461.588 2.052 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(c2ccnc(C)n2)CC1 1359293812 AFUYUCPQATXXNE-UHFFFAOYSA-N 452.950 2.326 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](CC)C1 1359298310 VDVGOMNJGMMDAW-FUHWJXTLSA-N 472.594 2.110 30 10 JEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 1359302352 DHZHWNBWGINESB-UHFFFAOYSA-N 483.598 2.236 30 10 JEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 1359302674 PVYHTFUIFXBRPD-INIZCTEOSA-N 473.647 2.313 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1359466730 GSZVSHHHEHZJDR-BRWVUGGUSA-N 464.567 2.435 30 10 JEEE C[C@@]1(C#N)CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCOc2ccc(Cl)cn2)C1 1360784542 HAGQJOGMMASQNH-QRWLVFNGSA-N 464.979 2.438 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)S(=O)(=O)c2cc(C(=O)OC)oc2Br)c1 1462862088 QPUVQKGCFWUEAO-UHFFFAOYSA-N 455.286 2.069 30 10 JEEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)c1 1466134641 YZIRJTRKCKVBHK-AWEZNQCLSA-N 451.907 2.479 30 10 JEEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](c2ccccc2)c2cc3ccccc3o2)CC1 1467818970 AQMCPDAHVADELA-QFIPXVFZSA-N 452.536 2.317 30 10 JEEE C=CCNC(=O)Nc1ccc(NC(=O)Nc2cnn(CC(=O)N3C[C@H](C)O[C@H](C)C3)c2)cc1 1476235257 JPHOXPNJKCMFIR-IYBDPMFKSA-N 455.519 2.470 30 10 JEEE Cc1nccnc1N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)NC(C)C)CC1 1492715694 HZUKXETYQVNYEH-UHFFFAOYSA-N 459.558 2.157 30 10 JEEE CC[C@@H](C)N(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1496121403 FUOHECFDBOUHPP-XLIONFOSSA-N 476.589 2.079 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(O)CCCCCC2)c1 1507551317 WJXYGGQUEXWFHQ-FQEVSTJZSA-N 499.637 2.322 30 10 JEEE C#CCCCn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 1507591114 JIDUPCZGNFWRIR-IBGZPJMESA-N 454.550 2.485 30 10 JEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)c2ccco2)CC1 1507593896 WEYBASHTOFPDHY-UHFFFAOYSA-N 452.540 2.238 30 10 JEEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1CC(=O)NCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1507624823 DYEPBSKUVBZPDZ-ZWKOTPCHSA-N 497.543 2.125 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CC(C)(C)OC)[C@H]1CCS(=O)(=O)C1 1507625763 KWRYFILGTPZIHS-AWEZNQCLSA-N 470.393 2.087 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1Cc1cccn(CC)c1=O)[C@@H]1CCS(=O)(=O)C1 1507626072 CNTUEHMCTDUNQA-HXUWFJFHSA-N 485.997 2.455 30 10 JEEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1CCN1CCSCC1)[C@H]1CCS(=O)(=O)C1 1507628149 VFAZXRPHWRZVNR-FCHUYYIVSA-N 487.695 2.496 30 10 JEEE C#CCN(c1nnc(-c2cc3ccccc3o2)n1CC[S@@](=O)CC)[C@@H]1CCS(=O)(=O)C1 1507630015 YELHPTHIMXRWIE-ZQHDKMAOSA-N 460.581 2.087 30 10 JEEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1Cc1ccco1)[C@H]1CCS(=O)(=O)C1 1507641183 ZLBBYWMFPQHSDB-KRWDZBQOSA-N 456.524 2.134 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1507642314 ISUUPSZNOFRNMK-IEBWSBKVSA-N 459.547 2.054 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 1507716173 NOXDQBBEFCKVEM-HXUWFJFHSA-N 487.649 2.351 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H](C)CN(C)C(=O)OC(C)(C)C)CC1 1507719021 JXSUUCVUUBGFSX-CPJSRVTESA-N 490.649 2.188 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@@H](C)N(C)C)CC1 1507734862 AKWJOPGALWWPGH-GOSISDBHSA-N 468.602 2.268 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1507792155 WZDZJSVWMSOEFY-AQNXPRMDSA-N 460.623 2.386 30 10 JEEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C(F)(F)F)C1 1507867994 CNVJJQPPFUOAGD-QWHCGFSZSA-N 457.906 2.142 30 10 JEEE C=CCn1c(N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)nnc1[C@@]1(OCC)CCOC1 1508067661 NBACYCZATSIBMB-HSZRJFAPSA-N 458.538 2.016 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC[C@@H](C(=O)NC)C1 1508075801 ZKKDSBQQOLJUQV-JKSUJKDBSA-N 456.616 2.396 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H]1Cc1ccccc1 1508132293 WSZQWWAKRGGRKJ-FQEVSTJZSA-N 457.600 2.326 30 10 JEEE COCC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1518959879 FJOKYEUUYPBNHA-XMMPIXPASA-N 469.590 2.234 30 10 JEEE C#CCOc1ccc(C(=O)NCCNS(=O)(=O)c2cc(C)ccc2Br)cc1 1525617221 KXIVBOPGHADDIG-UHFFFAOYSA-N 451.342 2.478 30 10 JEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 1539093849 GNGLVAQOYBIKMP-LSDHHAIUSA-N 473.525 2.359 30 10 JEEE C#CCCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1539104853 QOCTZCCGARKBQH-UHFFFAOYSA-N 470.555 2.007 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1CCCNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1539218888 FSCGOUHMCPEFLM-KRWDZBQOSA-N 467.636 2.408 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(OCC)c(OC)c2)n1CCN1CCN(C)C(C)(C)C1 1539252048 XJNXTSJQSRECFI-UHFFFAOYSA-N 464.614 2.451 30 10 JEEE C#CCSCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1539498969 ZZRPSCAMUUOHBF-SFHVURJKSA-N 474.606 2.134 30 10 JEEE C#CCSCCn1c(N2CCC[C@H](NC(=O)OCC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1539531761 ZIMDSGFJGOMMJT-PGRDOPGGSA-N 465.620 2.400 30 10 JEEE C=CCCOCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1540033277 CVHUEBQMKSOSJH-IBGZPJMESA-N 493.612 2.478 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCSC[C@@H]1C 1540897261 FKKPXURJEHFGPZ-HNNXBMFYSA-N 484.047 2.404 30 10 JEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1cccc(Cl)c1C)[C@H]1CCS(=O)(=O)C1 1588024779 LHNUXCONTCCQJG-SFHVURJKSA-N 476.002 2.151 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCCN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1588039643 BCLIYIMDBGYYIW-OAQYLSRUSA-N 471.627 2.456 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCCOc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1588049597 JCNMCODKNQKJAV-HXUWFJFHSA-N 468.583 2.083 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc(NC(C)=O)nc1 1588214771 YWLRFBFZBMVFDZ-UHFFFAOYSA-N 490.593 2.103 30 10 JEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1Cc1ccc(-n2nc(C)cc2C)nc1 1588245688 NOUVDHPVQGRFDD-UHFFFAOYSA-N 456.554 2.109 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(O)CCCCC1 1588646208 HHANQNQSOWUYFU-LJQANCHMSA-N 477.606 2.368 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@]2(O)CCSC2)CC1 1588899835 XVOIYLKLHGMBCP-HSZRJFAPSA-N 491.564 2.380 30 10 JEEE C#CCSCCn1c(-c2cccc(Br)c2)nnc1N(C)CCNS(C)(=O)=O 1588994442 WFERFJPWUYLCIO-UHFFFAOYSA-N 472.434 2.059 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 1589484635 USUZTMDHSZUDDJ-REWPJTCUSA-N 495.628 2.158 30 10 JEEE C=C(C)COCCn1c(-c2ccc3ccccc3n2)nnc1N1CCN(CC(=O)NCC)CC1 1593721935 HAMSVMKMTRGRRZ-UHFFFAOYSA-N 463.586 2.344 30 10 JEEE C=C(C)COCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(CCOC)[C@@H](C)C1 1593722224 MHMMLOMCRPYEGB-IBGZPJMESA-N 457.575 2.466 30 10 JEEE C=CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCN1CCCS1(=O)=O)C1CC1 1595070754 LHPUNWJDCZYSGM-CALCHBBNSA-N 480.635 2.239 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCOc2ccccc21 1595218179 HSHPDZZXHSTBGB-RXVVDRJESA-N 473.599 2.356 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(c2ncccc2C#N)CC1 1595556158 PMYRIMCJROJDAA-UHFFFAOYSA-N 476.972 2.418 30 10 JEEE C=CCOc1ccc(Cn2c(COCC)nnc2N2CCC[C@@H](N3CCCS3(=O)=O)C2)cc1 1595640532 ZFLSJVNROWMFCW-HXUWFJFHSA-N 475.615 2.432 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C(N)=O)CC1 1595650077 WIUIBPIDZOTNPU-UHFFFAOYSA-N 461.526 2.240 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(F)(F)F)CC1 1595658504 FTUROOCHFHMLDA-GOSISDBHSA-N 499.559 2.478 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1595765850 HURNTXOCFUFUAB-JJTKIYQPSA-N 461.544 2.051 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCC(C(=O)Nc2ccc(C)cn2)CC1 1595789660 ZFNNLNPVMKEFKP-UHFFFAOYSA-N 458.588 2.315 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1595822738 JTYSDHXHBSZGBX-GBXCKJPGSA-N 490.626 2.459 30 10 JEEE CCN1C[C@@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2CCCN(C)S(=O)(=O)CC)C[C@H]1C 1615760018 GUYQFYYKKDTRED-RTBURBONSA-N 473.647 2.407 30 10 JEEE COCCN(CCC#N)c1nnc([C@@H]2CCCCO2)n1C[C@H](N1CCOCC1)C(F)(F)F 1619912609 HRASVFFRNSSMKN-IRXDYDNUSA-N 460.501 2.149 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc(C)cc2OCC(=O)N(C)C)s1 1625466484 CRJDOXZKTVBKSE-UHFFFAOYSA-N 451.570 2.169 30 10 JEEE C#CCN1CCN(C(=O)c2ccc(N3CCCCC3)c(S(=O)(=O)N3CCCCC3)c2)CC1 1635016908 OWSKMDDFLPTUQL-UHFFFAOYSA-N 458.628 2.243 30 10 JEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2nc(N)nc(C3CC3)n2)CC1 1636272530 QXVBIYKTAFKSRR-CQSZACIVSA-N 451.959 2.016 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1CCOc1cccc(C(F)(F)F)n1)[C@H]1CCS(=O)(=O)C1 1689994311 VZFPQHIBYILVMD-INIZCTEOSA-N 483.516 2.350 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(O)cc1 1690020082 YHHAIUCALDMZHW-HXUWFJFHSA-N 451.527 2.413 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2csc(C)c2)n1 1690109589 XBZPOAGWDRAJBM-LJQANCHMSA-N 488.639 2.081 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@](C)(O)c2ccccc2Cl)CC1 1690113894 XLBXCEBUIPLAAM-BJKOFHAPSA-N 474.005 2.247 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2CCN(C)CC(F)(F)F)CC1 1690133478 ITEAKYWUBNDNFJ-UHFFFAOYSA-N 454.472 2.246 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCCCN2CCCC[C@H]2C)CC1 1690135399 VUVCVPSRPYETOU-OAQYLSRUSA-N 483.661 2.135 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1690216613 QZUMCXNCQNSVDJ-KLGLLFHNSA-N 469.561 2.478 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccccc2F)nnc1N1CCO[C@H](CNC(C)=O)C1 1690252546 GBEBMWQAJANZAY-YYDVJCTNSA-N 473.549 2.319 30 10 JEEE C=C(Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(CC(=O)N(C)C)CC1)c1ccccc1 1690321610 GUHQMSVFWAOXPC-UHFFFAOYSA-N 467.618 2.120 30 10 JEEE C=C(Cl)Cn1c(COc2ccccc2OC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1690353997 ASSBNDKJTAQCFX-OAHLLOKOSA-N 460.922 2.091 30 10 JEEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1690451580 KEKVJOYMSVENPM-LSDHHAIUSA-N 452.547 2.317 30 10 JEEE C=CCCOCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(S(C)(=O)=O)CC1 1690507700 ULIIIQGBIHILEY-UHFFFAOYSA-N 472.571 2.200 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1690672754 CBKPGOYLIRQPAY-PBHICJAKSA-N 453.465 2.336 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc(-c2cc(Br)c[nH]2)n1CC1CCS(=O)(=O)CC1 1690995117 DFPWEXKKVGJNEK-LBPRGKRZSA-N 455.382 2.456 30 10 JEEE C[C@@](O)(Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(N)=O)C1)c1ccsc1 1692812250 HGDPAKKIBMBSLY-UZUQRXQVSA-N 466.567 2.400 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CCC1(C)CC1)[C@H]1CCS(=O)(=O)C1 1705560552 IAYCNDPCPAFNTH-AVRDEDQJSA-N 450.605 2.136 30 10 JEEE C#CCN(c1nnc([C@H]2COc3ccccc3O2)n1CC(C)(C)COCC)[C@H]1CCS(=O)(=O)C1 1705565646 JDMUECAOPAQUTI-GHTZIAJQSA-N 488.610 2.480 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1Cc1cccc(C(=O)NCCC)c1)[C@H]1CCS(=O)(=O)C1 1705570263 NLBZWVLUWHFCSN-NRFANRHFSA-N 469.611 2.045 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H](C)Oc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1705571751 HDEOIGCHTSAMPM-SQGPQFPESA-N 462.547 2.363 30 10 JEEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1CCCN1CCCO[C@H](C)C1 1705600128 MXBUIBBTEYAPJR-JOCHJYFZSA-N 459.598 2.480 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCCCCO)CC1 1705652562 DTXBVWREKWYAOT-BGYRXZFFSA-N 488.633 2.177 30 10 JEEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](c2ccccc2)[C@@H]1C 1705661601 GEGIVMSDJPQAMV-JBACZVJFSA-N 489.667 2.360 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 1705693082 BJKKQFURFHVXMG-FPOVZHCZSA-N 484.576 2.499 30 10 JEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCC(CN2C[C@H](C)O[C@H](C)C2)CC1 1705729102 LQCJFADCHITRIG-OYRHEFFESA-N 474.650 2.432 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCN(c2ccnc(C)n2)CC1 1705932651 HUVVWVWJUVGYSH-UHFFFAOYSA-N 471.562 2.110 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H](C(=O)OC)C1 1705935324 NQAJOYVJOBMWSE-HNNXBMFYSA-N 468.526 2.137 30 10 JEEE N#C[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccnc(C(F)(F)F)c2)CCO1 1712882500 CJLFPKMHBUGOQZ-AWEZNQCLSA-N 458.404 2.116 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1nc(C(F)(F)F)cs1 1722278049 PHOXNRMKRCRGSQ-GHMZBOCLSA-N 450.512 2.064 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2CCCN2CCCO[C@@H](C)C2)c1 1722309253 MCZQKPYGYJALAE-FQEVSTJZSA-N 488.596 2.292 30 10 JEEE C#CCCCn1c(COc2ccc(OC)cc2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1722340346 VDLULYLINNRWCC-NRFANRHFSA-N 452.603 2.495 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCN(CC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1722363713 VAGPKTUTAQFZEB-HXUWFJFHSA-N 459.616 2.311 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1722366060 QRFVGIOKHNBMAO-PMACEKPBSA-N 487.626 2.140 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@@H](C)c1ncc(C)s1)[C@H]1CCS(=O)(=O)C1 1722367067 UUFMSJLIDDLYPI-NRJQMVOHSA-N 493.655 2.126 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CC[C@]2(CCOC2)O1 1722413294 KFSYBTBVGBBAID-YDIMBITNSA-N 475.590 2.384 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CC2CCN(CC(F)(F)F)CC2)CC1 1722447851 NWCGIQVETVSUBO-FQEVSTJZSA-N 496.578 2.412 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2C)nnc1N1CCN(CC(=O)N(C)C)CC1 1722493943 AUAYWMYSQDMRBW-REWPJTCUSA-N 452.603 2.445 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1722519765 RIENYDBLYYBKEW-FQEVSTJZSA-N 458.632 2.141 30 10 JEEE C=C(C)COCCn1c(Cc2ccc(F)cc2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1722533458 SLZZNLAFKBRJEJ-DEOSSOPVSA-N 470.549 2.415 30 10 JEEE C=CCN(CC=C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(=O)NCC(F)(F)F 1722669511 UOIXMKXQRIEKAN-UHFFFAOYSA-N 471.509 2.095 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCCN(CC(F)(F)F)CC1 1722706806 YOSBKLUMNLFDGF-UHFFFAOYSA-N 470.471 2.373 30 10 JEEE CC(=O)N1CCN([C@H]2CN(c3nnc(COc4ccc(C#N)cc4)n3CCOC(C)C)C[C@H]2C)CC1 1722798549 LRHXOBDZNBLSCB-YKSBVNFPSA-N 495.628 2.143 30 10 JEEE CCN1CCN(C[C@@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](NC(C)=O)C2)CC1 1728628498 CZCOKSQILKUEDJ-YKSBVNFPSA-N 478.645 2.195 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1CCS(=O)(=O)CC1CC1 1740537387 UKXVYZBAMBXBQW-ZDUSSCGKSA-N 454.394 2.329 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc(C)o3)n2CCN2CCN(C(C)=O)CC2)c1 1740563192 WRTHEYKBGDHBPZ-UHFFFAOYSA-N 489.580 2.067 30 10 JEEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(c2cnccn2)CC1 1740581187 RGWRNTKKIUPZCF-UHFFFAOYSA-N 464.961 2.392 30 10 JEEE C#CCN(c1nnc(-c2ccc(Br)cc2)n1C[C@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1740619712 QWGNOCHVTKEURB-WMLDXEAASA-N 467.389 2.369 30 10 JEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1C[C@@H]1CCCN1CCCO)[C@@H]1CCS(=O)(=O)C1 1740620012 SMRJXFCNMZFHOM-LEWJYISDSA-N 492.045 2.072 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1CCc1ccc(F)c(F)c1F)[C@H]1CCS(=O)(=O)C1 1740622855 JTXPXOLIPJKYFI-HNNXBMFYSA-N 476.484 2.022 30 10 JEEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1CCc1noc(CC)n1)[C@H]1CCS(=O)(=O)C1 1740627205 FHLNPVQAZBOWEY-IBGZPJMESA-N 498.609 2.289 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1cnn(-c2ccccc2)c1 1740655626 DXANDAMKLPBLMH-NRFANRHFSA-N 462.579 2.072 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccc(OC)c(F)c2)CC1 1740703184 IXCQMPDAFFBFPF-VWLOTQADSA-N 485.560 2.092 30 10 JEEE C=C(Cl)Cn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1740813835 IFXYOHHIFYCUMR-UHFFFAOYSA-N 452.028 2.377 30 10 JEEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1740857321 KNOXXBDYYNSDLM-SFHVURJKSA-N 454.579 2.268 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1740953432 GGGHDQFBESANPA-KRWDZBQOSA-N 471.558 2.039 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCCN(C(=O)CC2CCCC2)CC1 1740962201 VRIYUZJXQDCRJO-UHFFFAOYSA-N 465.602 2.185 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@](C)(C(=O)NC)C1 1740988433 DSSZBYDAAKBCCO-FQEVSTJZSA-N 451.980 2.162 30 10 JEEE CC[C@H](C)N(C)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@](F)(C#N)C1 1743857846 FIDMOGVMWJXFPJ-JTSKRJEESA-N 477.610 2.368 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCc1nnc2n1CCCCC2 1748651585 OZPWSHAAFGGFIQ-KRWDZBQOSA-N 467.599 2.367 30 10 JEEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC2(CC1)COC(=O)N2 1748703764 ZAZWNMGNTCOSIB-UHFFFAOYSA-N 457.556 2.231 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1ccnc(-n2cccn2)c1)[C@@H]1CCS(=O)(=O)C1 1748818389 ZHBXEZYMRWDNNL-LJQANCHMSA-N 467.599 2.122 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1nccc(C(F)F)n1 1748842198 GTGVRPFWBVKHDY-UHFFFAOYSA-N 460.448 2.041 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(F)c(F)c1F 1748892661 UPYPCQAFLHDEMR-MRXNPFEDSA-N 450.486 2.303 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2Cc2nnc(CC)s2)CC1 1748984000 FEGYIQOUJTZJNK-UHFFFAOYSA-N 453.572 2.180 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2cccc(F)c2)CC1 1749003292 DTRILAMJSGYPFC-XMMPIXPASA-N 455.534 2.083 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1749020403 RSPDTOGWJCGJBN-IBGZPJMESA-N 479.614 2.417 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC(CC(=O)NC)CC1 1749667247 VYYQVFAHVRUWRH-UHFFFAOYSA-N 463.542 2.255 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CC[C@H](C(=O)N(C)c2ccccc2)C1 1749670774 VNBYIVUVBPJMIK-ICSRJNTNSA-N 452.559 2.311 30 10 JEEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC(NC(=O)C(C)C)CC1 1749671495 CKUOYNIMTIERFH-UHFFFAOYSA-N 460.529 2.190 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCCN(C(C)C)CC1 1749735740 VTUXLVASEJXICL-OAQYLSRUSA-N 475.615 2.312 30 10 JEEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 1749752519 SKRFKOLWZCJXLJ-UHFFFAOYSA-N 484.674 2.471 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)(C)C)n2C[C@@]2(C)CN(C3CC3)C2=O)n1 1760251954 IFIQMTRDYFLUST-XMMPIXPASA-N 453.591 2.069 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC(=C)Br)CC1 1760256500 YHFQHGVOEQBSCJ-UHFFFAOYSA-N 464.389 2.012 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](C(C)C)N2CCCC2)CC1 1760271391 WSSLAAGPHXJKAY-QHCPKHFHSA-N 480.661 2.226 30 10 JEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(O)(c2c(F)cccc2F)CC1 1760275487 YFZJXFXYALKJHV-HNNXBMFYSA-N 499.609 2.021 30 10 JEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1760283787 AJDXXGUCHPEECR-UHFFFAOYSA-N 453.494 2.002 30 10 JEEE C=C(Br)Cn1c(N2CCN(C[C@@H]3CCCO3)CC2)nnc1[C@]1(OCC)CCOC1 1760313432 ALHCRIDAPILALD-PXNSSMCTSA-N 470.412 2.140 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 1760552418 MZAMPPGIVNIRRV-KRWDZBQOSA-N 478.619 2.378 30 10 JEEE CC[C@@H](C)N(C)CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCO[C@@H](C#N)C1 1762005354 DJMFIHYPOTUVCB-MSOLQXFVSA-N 464.574 2.134 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)[C@@H](C)Oc3cccnc3NC(=O)NCCCNC(C)=O)cc21 1858807091 LGJAWPLPRYQTTA-MRXNPFEDSA-N 495.536 2.291 30 10 JEEE N#Cc1nnn(Cc2ccccc2)c1NC(=O)CN1C(=O)c2ccc(Br)cc2C1=O 1870111799 CYSNJKFLXZOOKF-UHFFFAOYSA-N 465.267 2.195 30 10 JEEE CC(C)[C@@H](C(=O)Nc1c(C#N)nnn1-c1cccc(N(C)C)c1)N1C(=O)c2ccccc2C1=O 1870143476 NYYMNXOSTMAKOH-FQEVSTJZSA-N 457.494 2.464 30 10 JEEE C#CCOc1cn(CCCN(C)C)c(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1=O 1870561754 BKHQINHBTWTTIE-UHFFFAOYSA-N 453.543 2.042 30 10 JEEE C=CCn1c(C(=O)N(CC)CCO)cc2c(N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)ncnc21 1873560572 DPBWQEMRBBQPBU-UHFFFAOYSA-N 479.541 2.307 30 10 JEEE CC[C@@H](C)[C@@H](C(=O)NC1=C(c2nc(C)cs2)C(=O)CN1CCOC)N1C(=O)c2ccccc2C1=O 1873710426 DGSLVLPTENMZTB-VLIAUNLRSA-N 496.589 2.478 30 10 JEEE Cn1cc([C@H](NC(=O)OC(C)(C)C)C(=O)N2CC[C@@H]3C[C@@]3(B3OC(C)(C)C(C)(C)O3)C2)nn1 2194130928 VTCHKDKNQWCQPX-WEBUEUPWSA-N 461.372 2.466 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2ccsc2B2OC(C)(C)C(C)(C)O2)[C@H](O)C1 2255642961 NUYORTNYFSIEBT-HUUCEWRRSA-N 452.382 2.147 30 10 JEEE C[C@H](CN(C)C(=O)c1nn(C)c(Cl)c1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2255653523 JZONZPNVORNKMI-GFCCVEGCSA-N 456.780 2.358 30 10 JEEE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2256627191 SQKVRQPNPMLDTM-STQMWFEESA-N 452.386 2.091 30 10 JEEE CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)Nc1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)n1 2256671458 SPIQSBXLPCHIEH-CYBMUJFWSA-N 455.748 2.248 30 10 JEEE CCC[C@@H](CNC(=O)c1c(C)nn(C)c1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2267189679 DLUWEMHSLSBBQR-HNNXBMFYSA-N 450.389 2.451 30 10 JEEE CC(C)(C)OC(=O)N1[C@H]2C[C@@H]1CN(S(=O)(=O)c1ccc(B3OC(C)(C)C(C)(C)O3)cc1)C2 2267369690 AEBKOLGITQNUAS-CALCHBBNSA-N 464.393 2.368 30 10 JEEE CC(C)(C)OC(=O)NC1CC(NS(=O)(=O)Cc2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2267463953 DRTZHTYLJUGBRF-UHFFFAOYSA-N 466.409 2.461 30 10 JEEE C=C(CS(=O)(=O)NC[C@H](C)N1CCN(C(=O)OC(C)(C)C)CC1)B1OC(C)(C)C(C)(C)O1 2267720146 LERXZXMLGMVYHI-KRWDZBQOSA-N 473.445 2.035 30 10 JEEE C=C(CS(=O)(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1CO)B1OC(C)(C)C(C)(C)O1 2267724736 OFCIXGORRJRXTL-IRXDYDNUSA-N 474.429 2.101 30 10 JEEE COC[C@@H](ONC(=O)OC(C)(C)C)C(=O)N(C)Cc1csc(B2OC(C)(C)C(C)(C)O2)c1 2268631451 YNRADCYMNGDPNC-OAHLLOKOSA-N 470.397 2.477 30 10 JEEE CC(C)(C)OC(=O)N[C@H](C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)c1ccccc1 2268639518 QAHHAHBKHBYZRL-AWEZNQCLSA-N 460.365 2.464 30 10 JEEE C[C@H](NC(=O)CN1CC(NC(=O)OC(C)(C)C)C1)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2268648752 CWGQXXVUUGHPLQ-AWEZNQCLSA-N 465.425 2.433 30 10 JEEE CCCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NN1CCN(C(=O)OC(C)(C)C)CC1 2281813084 BDOXPULMKKVVRL-UHFFFAOYSA-N 462.400 2.395 30 10 JEEE CC(C)(C)OC(=O)N1CC(c2nc(NC(=O)c3coc(B4OC(C)(C)C(C)(C)O4)c3)n[nH]2)C1 2281820704 GHLGYPIDBZDFOT-UHFFFAOYSA-N 459.312 2.284 30 10 JEEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)N(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2282014027 DMFZEQKONZMYQC-HZPDHXFCSA-N 460.384 2.493 30 10 JEEE CC(C)(C)OC(=O)N1CCCC[C@@H]2[C@H](NC(=O)c3ncc(B4OC(C)(C)C(C)(C)O4)cn3)[C@@H]21 2282031920 ZDRNGMILTARRIT-IXDOHACOSA-N 458.368 2.294 30 10 JEEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CC[C@@H](N(C)C(=O)OC(C)(C)C)CC1 2282180257 ZDMRBZWTBHMAJV-GASCZTMLSA-N 463.388 2.022 30 10 JEEE C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282354445 QOIWDMKIXHJILS-CVEARBPZSA-N 481.424 2.305 30 10 JEEE C[C@H]1CCN(C(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)[C@@H](CNC(=O)OC(C)(C)C)C1 2282578025 MMGNDARTYYPXPK-JKSUJKDBSA-N 462.400 2.485 30 10 JEEE C[C@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)C[C@H]1CCNC(=O)OC(C)(C)C 2282612652 HAUIPRNRLGQBKA-JKSUJKDBSA-N 462.400 2.342 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)C[C@]12CCOC2 2282632045 GAUYJXYHOVGEFZ-WNSKOXEYSA-N 462.352 2.477 30 10 JEEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CN(Cc2ccccc2)CC(C)(C)C1 2282697451 QFJZPIFEQJHESD-SFHVURJKSA-N 453.396 2.145 30 10 JEEE C[C@H](c1cscc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)[C@@H](CC(N)=O)NC(=O)OC(C)(C)C 2283934163 WPSKVXYSEDVILD-CZUORRHYSA-N 481.424 2.335 30 10 JEEE CC(C)(C)OC(=O)NCC1(C(=O)NCc2cc(B3OC(C)(C)C(C)(C)O3)ccc2F)COC1 2284061168 VOQVSMXXLUSMTE-UHFFFAOYSA-N 464.343 2.282 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1NC(=O)C1(O)CC(NC(=O)OC(C)(C)C)C1 2284133200 ODVMNDKXKGPMKM-UHFFFAOYSA-N 462.352 2.351 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N1C[C@H](C)C[C@@H](NC(=O)C(F)(F)F)C1 2285209070 REBADSRVMIGWJG-IUODEOHRSA-N 455.286 2.218 30 10 JEEE COC(=O)[C@@H](CS(=O)(=O)Nc1ccc(C#N)cc1Cl)NC(=O)OCc1ccccc1 2286022055 CAVMDPWPFVJKLA-QGZVFWFLSA-N 451.888 2.421 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCc1csc(CNC(=O)OC(C)(C)C)n1 2286750414 KHGLOUJDWSSJFP-UHFFFAOYSA-N 477.396 2.131 30 10 JEEE C=CCNC(=O)CN1CCN(CC(=O)N2N=C(c3cccs3)C[C@@H]2c2cccs2)CC1 23265981 YWTFNFUFOOVFDJ-GOSISDBHSA-N 457.625 2.407 30 10 JEEE O=C(CCSc1n[nH]c(N/N=C/c2ccccc2[N+](=O)[O-])n1)Nc1ccc2c(c1)C(=O)NC2=O 59844342 USOOHTPTJBXWCX-UFFVCSGVSA-N 480.466 2.163 30 10 JEEE COc1ccc(NC(=O)CCSc2n[nH]c(N/N=C/c3c(C)nn(CCO)c3C)n2)c(C)c1 59888182 TWOUHXKSYDFIKQ-WSDLNYQXSA-N 472.575 2.494 30 10 JEEE C#CCN1C(=O)[C@@H](c2c(-c3ccc(OC)cc3)[nH]c3c2c(=O)n(C)c(=O)n3C)c2ccccc21 86076880 JZZDCFUDHOLACT-LJQANCHMSA-N 454.486 2.353 30 10 JEEE C=CCn1c(=O)c2ccccc2n2c(=S)n(CN3CCN(c4ncccc4C#N)CC3)nc12 105325983 DNTOPISYDYGUKX-UHFFFAOYSA-N 458.551 2.413 30 10 JEEE NS(=O)(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2c2cccnc2)cc1 170356515 PMVXREHJGNZWKA-IBGZPJMESA-N 480.458 2.420 30 10 JEEE C=CCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2cc(OC)c3c(c2)OCO3)c1=O 654765763 JCBKRCCVRMMIHS-UHFFFAOYSA-N 476.510 2.228 30 10 JEEE CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccccc2-n2cnc(C#N)n2)ccc1OC 1129476715 FPWLBMSMKBFNNB-UHFFFAOYSA-N 454.512 2.430 30 10 JEEE C=C(Cl)C[C@H](NC(=O)c1cccc(NC(=O)CSc2nncn2C)c1)C(=O)OCC 1151573568 HQCVLPMAIBBSFF-HNNXBMFYSA-N 451.936 2.350 30 10 JEEE C#CCN(CC(=O)N1CCCN(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1)C(=O)OC(C)(C)C 1153664257 RTKHUAGWQLQZPT-UHFFFAOYSA-N 456.503 2.380 30 10 JEEE C#CCN(C(=O)CNS(=O)(=O)c1ccc(CNC(C)=O)s1)[C@@H]1CCCc2ccccc21 1156938015 NXGCPPDNOWGMSU-HXUWFJFHSA-N 459.593 2.202 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1286271927 WTRWHPJSGLQXDT-NVXWUHKLSA-N 458.529 2.308 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1C[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 1286302140 KGHHNRVMCROUJS-YDZRNGNQSA-N 456.591 2.361 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1Cc1cccc(Br)n1)[C@@H]1CCS(=O)(=O)C1 1286392088 KRCKGRYEMPJDAZ-MRXNPFEDSA-N 464.389 2.063 30 10 JEEE C#CCN(c1nnc(CCOc2ccccc2)n1C[C@@H]1CCC=CO1)[C@H]1CCS(=O)(=O)C1 1286394676 WHVDVFYBRVGSIV-FPOVZHCZSA-N 456.568 2.219 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(OC(F)F)c2)n1Cc1nnnn1CC1CC1 1286418905 SJUDWCBWRXIDPC-UHFFFAOYSA-N 452.469 2.454 30 10 JEEE C#CCN(CCOC)c1nnc(COc2ccc(Cl)cc2)n1C[C@H]1CCCS(=O)(=O)C1 1286468754 IPAQGBWLXATDOE-QGZVFWFLSA-N 466.991 2.421 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCC(=O)NC(C)(C)C 1286523336 ZQZCUUDEWBQEFC-RUZDIDTESA-N 461.570 2.489 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC(S(C)(=O)=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1286561347 CISAWODCHSJYKR-RFWXGWTQSA-N 482.647 2.313 30 10 JEEE C=CCCOCCn1c(-c2ccccc2OC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1286708660 GNPDCRXXFWFRQO-GOSISDBHSA-N 454.531 2.019 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@H]1c1nncn1C 1286792023 KJHBUTDFJUGINA-IBGZPJMESA-N 450.547 2.246 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN2C(=O)OC[C@H]2C1 1286815205 OHKMKOZDNJYCCO-LJQANCHMSA-N 473.599 2.484 30 10 JEEE C#CCN(c1nnc(CSc2ccccc2OC)n1C[C@@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1300505131 XYVCVOBSMXSBSR-MSOLQXFVSA-N 477.656 2.156 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCO[C@@H]1CCCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1300506179 OKTCTWHDUSHZIE-MTQWCTHYSA-N 450.605 2.352 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2CCN2CCC[C@H]2C)CC1 1300725505 ARUIFBZFNKJQFD-HXUWFJFHSA-N 464.614 2.328 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](OC)C(C)(C)C)CC1 1300729428 ZKSYDSMLGYYDOQ-FQEVSTJZSA-N 455.607 2.167 30 10 JEEE C=CC1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CCN2CCCS2(=O)=O)CC1 1301112211 NJHVOFPGVJSDBI-UHFFFAOYSA-N 491.614 2.409 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1snnc1C 1301349703 OBUWZIAFFIHDFK-CQSZACIVSA-N 465.580 2.428 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2nc3c(s2)CCCC3)C1 1301537839 DOUJJTQXUXFRSD-HOTGVXAUSA-N 480.660 2.248 30 10 JEEE Cc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CC2(S(C)(=O)=O)CCC2)cc1C 1304424268 GCKFYENUZKHQFU-IBGZPJMESA-N 459.572 2.170 30 10 JEEE C#CCN(c1nnc(-c2cn(C)c3ccccc23)n1CCOC(C)C)[C@@H]1CCS(=O)(=O)C1 1358960280 AUNGEVBMNHCYCL-GOSISDBHSA-N 455.584 2.489 30 10 JEEE C=C(Cl)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1359155650 FZPVFVXNVGGIRJ-UHFFFAOYSA-N 462.957 2.493 30 10 JEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(Cc2ccccc2)C[C@H]1C 1359215649 GUWGKOOEZIMARB-IRLDBZIGSA-N 488.658 2.288 30 10 JEEE C=CCc1cc(C(=O)N2CCN(S(=O)(=O)c3csc(C)n3)CC2)cc(OC)c1OC 1436129609 VCVXYKLSZGXBRY-UHFFFAOYSA-N 451.570 2.344 30 10 JEEE CCC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1)OC 1500141969 GZPWKWMFSURDDM-JOCHJYFZSA-N 497.600 2.118 30 10 JEEE CCOCc1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CCNC(=O)c1ccco1 1503121757 FHXLYBAIDGITFW-FQEVSTJZSA-N 450.499 2.287 30 10 JEEE CNC(=O)CC1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cnn(C)c2C)CC1 1503788404 AJEWHTHPCVEVCJ-UHFFFAOYSA-N 462.558 2.172 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@](C)(O)c1ccco1 1504873186 CAAYTYJKBRZOFQ-YADARESESA-N 464.526 2.255 30 10 JEEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 1507558158 CEFYBTDSCCIKBG-IFMALSPDSA-N 466.634 2.299 30 10 JEEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1CC(C)(C)CC)[C@H]1CCS(=O)(=O)C1 1507638962 IAMRPKPOPOLVMW-INIZCTEOSA-N 463.629 2.333 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1C[C@H]1CCOC[C@@H]1OC 1507702265 HRAIUXMMWQLJQY-CTNGQTDRSA-N 455.534 2.231 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1507811224 ORZQFHOMNOKGQA-DENIHFKCSA-N 454.575 2.221 30 10 JEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccccc1N1CCOCC1 1507843791 UHCMIVIUUOCFTE-HXUWFJFHSA-N 454.575 2.295 30 10 JEEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1507847592 OGNAQAZEHPOBCJ-UHFFFAOYSA-N 458.611 2.363 30 10 JEEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1507848015 STCHWDZHXVWVHM-HTAPYJJXSA-N 461.588 2.247 30 10 JEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 1507943944 NPCVWLCYIHSGQB-SFHVURJKSA-N 466.652 2.329 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1508084790 CGTIOYCIPDTXHI-XDHUDOTRSA-N 470.549 2.414 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N(C)Cc1ccc(N2CCOCC2)cc1 1508086116 LGQIDKTXYMMBPK-UHFFFAOYSA-N 461.570 2.039 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@H](C)N1CCc2ccccc2C1 1510192525 BWSRTUHAMSYHPE-YDIMBITNSA-N 485.658 2.465 30 10 JEEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCC(C#N)CC3)n2Cc2ccc(C(F)(F)F)cc2)C1 1519545773 GANWDDYQTYEWFZ-SFHVURJKSA-N 498.531 2.418 30 10 JEEE C=CCN1CC[C@@H](N(C)C(=O)c2ccc(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)C1=O 1519603835 WMDNWMGCKNPHAZ-LJQANCHMSA-N 459.480 2.221 30 10 JEEE N#Cc1ccc(C2=CCN(c3nnc(CN4CCCC4=O)n3CC(=O)NCC(F)(F)F)CC2)cc1 1521082158 DKBVVDYSUIZWFW-UHFFFAOYSA-N 487.486 2.244 30 10 JEEE C#CCN(c1nnc(C2CC2)n1C[C@@H]1[C@H](C)CCN1C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1539215447 CFEBBLITFNJTPE-NZSAHSFTSA-N 477.631 2.428 30 10 JEEE C#CCN(c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@H](C)OC)[C@H]1CCS(=O)(=O)C1 1539216181 ORSYBXVYLJQNSI-WMZOPIPTSA-N 455.540 2.262 30 10 JEEE C#CCN1CCN(c2nnc(CSc3ccc(C)cc3)n2CCN2CCOC[C@@H]2C)CC1 1539462542 IGFSNYNWOHNAMR-NRFANRHFSA-N 454.644 2.355 30 10 JEEE C#CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC(NC(C)=O)CC1 1539490999 JUSVOLPPFQNATO-UHFFFAOYSA-N 475.018 2.333 30 10 JEEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCS(=O)(=O)c2ccccc2)CC1 1539847578 HWQWWPFQIDBWNZ-SFHVURJKSA-N 464.613 2.201 30 10 JEEE C=CCNC(=O)Cn1c(Cn2ccc3ccccc32)nnc1N(C)CCN1CCOC(C)(C)C1 1540873968 PZFXYNLUIGKXIX-UHFFFAOYSA-N 465.602 2.130 30 10 JEEE COc1cc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCC(=O)NC(C)C)cc(OC)c1OC 1554739759 DVNKMNMVDZPUPM-QFIPXVFZSA-N 460.510 2.328 30 10 JEEE C=CCn1c(S)nc2cc(C(=O)Nc3ccc(S(=O)(=O)CCO)cc3C)ccc2c1=O 1556407104 KMZWZYJNMGGRNL-UHFFFAOYSA-N 459.549 2.198 30 10 JEEE C#CCCCCn1c(N2CCO[C@H](Cn3nc(C)cc3C)C2)nnc1[C@]1(OCC)CCOC1 1587793374 LDGDJAAJKFCLRM-URXFXBBRSA-N 456.591 2.452 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 1588074111 JKFADLLBYAZXCB-IBGZPJMESA-N 466.586 2.377 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc3ccccc3n2)n1CCCN(CC)S(C)(=O)=O 1588113942 WJNIUIQDEFXWAU-UHFFFAOYSA-N 450.568 2.238 30 10 JEEE C#CCN(CC#C)c1nnc(CCOc2ccccc2)n1Cc1cccnc1N1CCOCC1 1588158930 MIDHTAFLTDWWMO-UHFFFAOYSA-N 456.550 2.252 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3)n2CCS(=O)(=O)CC=C)CC1 1588768646 IYZPOKDWJJRQKW-UHFFFAOYSA-N 478.416 2.064 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@@H]2CCOC[C@@H]2OC)CC1 1588780655 UWXUAVNEFTYQBX-UWJYYQICSA-N 459.978 2.414 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H](c2cccc(OC)c2)N(C)C)CC1 1588930252 QZBRKIWURGSZES-FYYLOGMGSA-N 480.613 2.059 30 10 JEEE C#CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1589037197 VORMSCMHFUZJPX-UHFFFAOYSA-N 468.627 2.065 30 10 JEEE C=C(C)COCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](C(N)=O)C1 1593741319 MQJHBQVHBVGQHD-ROUUACIJSA-N 462.595 2.297 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](O)(c2ccccc2F)C1 1593746668 KQCLKEPZGUKHKZ-VGOFRKELSA-N 464.563 2.010 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCSCC1 1595238897 AMPWUCJAKMSQAP-OAQYLSRUSA-N 475.684 2.464 30 10 JEEE C=CCn1c(-c2ccc(Br)s2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1595343152 DBDNVSJXMVUDAC-LLVKDONJSA-N 463.365 2.487 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1ncc(Cl)n1C 1595490683 XBFJQUUWKPHGTA-UHFFFAOYSA-N 467.759 2.361 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@](C)(N2CCOCC2)C1 1595805289 MTKRZNPZRBPUCW-QHCPKHFHSA-N 495.596 2.049 30 10 JEEE CCOC(=O)N(C)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2n[nH]c(C)n2)CC1 1615987021 FEYPEMMBXRLTBY-UHFFFAOYSA-N 493.572 2.455 30 10 JEEE CS(=O)(=O)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCCS2)CC1 1620169105 DXRSYGROJKDCLB-FQEVSTJZSA-N 490.655 2.486 30 10 JEEE N#C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CCc2cc(Br)ccc2F)CCO1 1620356543 BGPDAEYGYOKJAI-MRXNPFEDSA-N 477.338 2.274 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(C)C 1635310820 QPXKBFRRMRGHBX-DQLDELGASA-N 452.573 2.248 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1CCc1nccs1)[C@H]1CCS(=O)(=O)C1 1689984532 QMJXBTPGKUJCKK-INIZCTEOSA-N 487.607 2.288 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H](c1cccc(OC)c1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1689985770 AYTOHQWRMFWNEE-OFNKIYASSA-N 496.637 2.222 30 10 JEEE C#CCN(CC)c1nnc(COc2ccc(C#N)cc2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1690083289 CNQJNXUYHKSHLB-UHFFFAOYSA-N 475.553 2.443 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(Br)c2)n1Cc1cn(C2COC2)nn1 1690095332 NDTHTYLKCRZOGX-UHFFFAOYSA-N 472.347 2.005 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CC(=O)Nc2ccc(F)cc2)CC1 1690148843 WYUCOOHYENBTRL-UHFFFAOYSA-N 475.528 2.008 30 10 JEEE C#CCSCCn1c(N2CCN3C(=O)CC[C@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1690186471 QTCJMIIMRQDTFN-KSZLIROESA-N 474.631 2.226 30 10 JEEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)CCC1CCOCC1 1690671348 UJKYDLQHWOYFRJ-UHFFFAOYSA-N 468.606 2.007 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CCN(C2CCOCC2)CC1 1690675954 KXVUKOBWSWVNNH-UHFFFAOYSA-N 468.602 2.023 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCC(CNC(C)=O)CC1 1690681195 JFOXQCABYDHTTJ-UHFFFAOYSA-N 454.575 2.382 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1690725581 VFYIHIFIXGMCLC-UHFFFAOYSA-N 451.637 2.306 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN(C)C(=O)OC(C)(C)C 1691003453 HDIYNLVBUUGSFZ-HZPDHXFCSA-N 454.597 2.033 30 10 JEEE CCNC(=O)c1cccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@](C)(C#N)C2)c1 1695930085 BHSVEADBPUCKFD-WMZHIEFXSA-N 470.599 2.108 30 10 JEEE C#CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1705531039 WKLPROBOFJXYOP-UHFFFAOYSA-N 450.934 2.227 30 10 JEEE C#CCN(C)c1nnc(-c2cc(F)ccc2Br)n1CCCNS(=O)(=O)CC 1705544519 UAKJGMZBRKCOPG-UHFFFAOYSA-N 458.357 2.246 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1CC1(N(C)C)CCOCC1 1705620826 HWEJRVGGKBIOMP-UHFFFAOYSA-N 468.577 2.290 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccncc2Cl)CC1 1705651482 YIPYCOWRUTWOJN-UHFFFAOYSA-N 498.012 2.332 30 10 JEEE C=C(Br)Cn1c(-c2cccc(OC)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1705681752 CQKIKZYEDYUKCT-MRXNPFEDSA-N 475.347 2.335 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2(N(C)C)CCCCC2)CC1 1705781517 BKIYIMXMIIJWOF-HXUWFJFHSA-N 480.679 2.278 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1705900074 PDAMVSVXGOBMCU-UHFFFAOYSA-N 450.934 2.427 30 10 JEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1705946483 JCOLHHFOKQVGCO-CABCVRRESA-N 467.583 2.172 30 10 JEEE C#CCCCCn1c(-c2cnccn2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 1722314039 HGBYJZYNKXCDRE-LEWJYISDSA-N 464.618 2.356 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1ccc(OCCOC)cc1)[C@H]1CCS(=O)(=O)C1 1722368057 PAYBADHTNBORSU-RBBKRZOGSA-N 488.610 2.220 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1nnc(C(C)(C)C)s1)[C@H]1CCS(=O)(=O)C1 1722369455 ZMNULNMPFZBBTB-JKSUJKDBSA-N 478.644 2.344 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1CCN(CC)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1722370847 FHKJSOTYYWFXBX-SFHVURJKSA-N 465.620 2.114 30 10 JEEE C=C(Br)Cn1c(N2CC[C@@H](C(N)=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1722488870 KKNDJDMUDCENCP-MCIONIFRSA-N 469.384 2.269 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@@H](CNC(C)=O)C1 1722511333 YCYZGWSTXHMDQO-BSRJHKFKSA-N 475.540 2.470 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2ccc(F)cc2F)C1 1722523263 LEAZZBONYRGYBF-OALUTQOASA-N 483.541 2.043 30 10 JEEE C=C(Cl)Cn1c(N2CCN([C@@H](C)C(=O)NC3CCCC3)CC2)nnc1[C@@]1(OCC)CCOC1 1722558528 QETJECDGAYVQQS-FDDCHVKYSA-N 481.041 2.252 30 10 JEEE C=CC1CCN(c2nnc(C(=O)NC(C)C)n2CCOc2ccc(S(C)(=O)=O)cc2)CC1 1722573408 XEHXALWQMMSCMI-UHFFFAOYSA-N 461.588 2.301 30 10 JEEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1722621089 ZSFOQNNABAZZCG-KRWDZBQOSA-N 478.644 2.240 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCO[C@H](C(F)(F)F)C1 1722693019 BKHUUAZHIWFQRA-INIZCTEOSA-N 455.437 2.032 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1c1ccccc1C 1722724051 LTNYVNGYIJXAFD-PKOBYXMFSA-N 481.644 2.139 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Br)nnc1N(C)[C@@H](C)CC(N)=O 1722725989 WFYGFZQNUVITLX-ZDUSSCGKSA-N 470.393 2.009 30 10 JEEE CC(=O)N1CCN(CCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC(C)(C#N)CC2)CC1 1722796394 SYBGMZPAGRVUEP-UHFFFAOYSA-N 466.546 2.147 30 10 JEEE C#CCN(c1nnc(COCC)n1CCc1c[nH]c2c(C)cccc12)[C@H]1CCS(=O)(=O)C1 1740628644 SBUVCORVXRMPNZ-IBGZPJMESA-N 455.584 2.474 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(F)ccc2Br)n1C[C@H]1CCS(=O)(=O)C1 1740680423 BDMYUIOIINSJGB-CQSZACIVSA-N 485.379 2.367 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CC2(CS(C)(=O)=O)CC2)CC1 1740699584 MMZSNQMBFCMYPJ-UHFFFAOYSA-N 471.627 2.054 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2C[C@H]2CCC[C@@H](O)C2)CC1 1740708693 ZECVQAHOTBURQE-RBBKRZOGSA-N 465.598 2.417 30 10 JEEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1740739559 VMQIZQINNWNZRA-SJORKVTESA-N 458.401 2.069 30 10 JEEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](CNC(C)=O)C1 1740750095 LRADRBPAYJVXNJ-IKGGRYGDSA-N 456.385 2.263 30 10 JEEE C=C(C)COCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN(C(=O)NC)CC1 1740789333 BYXDLLHTTBHVCU-UHFFFAOYSA-N 458.563 2.407 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCCN(c2nc(C)ns2)CC1 1740956245 NDHMGSJXRBINME-UHFFFAOYSA-N 456.551 2.263 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC(NC(=O)Nc2ccc(F)cc2)CC1 1740959840 FTOLPJYQBFSKEN-MRXNPFEDSA-N 471.537 2.014 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC2CCN(CC)CC2)C1 1740981111 NXQBWHFMSPWQFX-UXHICEINSA-N 451.637 2.084 30 10 JEEE CC(C)C(=O)NC[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC(F)(F)F)C1 1741280971 BOGVCBVUIHYXJD-QGZVFWFLSA-N 491.518 2.484 30 10 JEEE CCn1nc(-c2nnc(N(C)C[C@H](C)C#N)n2C[C@H]2CCCN2CCCO)c2ccccc2c1=O 1746469914 AFBMEGMFMURJPV-RTBURBONSA-N 478.601 2.118 30 10 JEEE CN(C)CCOc1cccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CC[C@@](F)(C#N)C2)c1 1747594341 GTGUZTWSUXDDNW-XMMPIXPASA-N 478.532 2.356 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1N1CCCCC1 1748672297 RQIDVURVCDHUQR-DENIHFKCSA-N 486.642 2.108 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccccc1CN1CCOCC1)[C@H]1CCS(=O)(=O)C1 1748801720 DXSQNUDCXLODRK-QFIPXVFZSA-N 485.654 2.083 30 10 JEEE C#CCN(c1nnc(CC)n1CC1CCN(Cc2cccs2)CC1)[C@H]1CCS(=O)(=O)C1 1748817482 LHHKTTZQFCQADL-IBGZPJMESA-N 461.657 2.441 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1Cc1cccc(N2CCOCC2)n1 1748828501 FNAFCEWSAARIBG-UHFFFAOYSA-N 494.397 2.399 30 10 JEEE C#CCN(CCOC)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1N(C)CCCC1(C)C 1748968147 BSAIJCJSQPPHSG-IBGZPJMESA-N 458.632 2.476 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@H](c2ccco2)N(C)C)CC1 1749010770 XBQDDWAXZSYDGP-PZJWPPBQSA-N 454.575 2.381 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(C)o2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1749120887 IMBATRWRQBCSGT-DENIHFKCSA-N 456.591 2.474 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC([C@@H]2CCOC2)CC1 1749650641 DBMDAMVPPWZLSW-LJQANCHMSA-N 487.004 2.417 30 10 JEEE C=CCOc1ccc(Cn2c(N3CCN(C(C)=O)CC3)nnc2[C@@]2(OCC)CCOC2)cc1 1749686479 BNZVUACVFLGMMR-XMMPIXPASA-N 455.559 2.212 30 10 JEEE CC(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCCN2CCC[C@H]2CO)CC1 1749831804 KBOWBCKSVBSDLV-QHCPKHFHSA-N 465.602 2.112 30 10 JEEE Cc1ccc(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@@H](C)CC#N)c(C)c1 1751502427 DSOGLVFIMMIEFS-ICSRJNTNSA-N 460.604 2.209 30 10 JEEE C#CCN(c1nnc(C(C)C)n1CCCN(C)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1760181912 DMNHCTKAKFGSKY-KRWDZBQOSA-N 453.609 2.285 30 10 JEEE C#CCN(c1nnc(CC2CCCC2)n1Cc1ccc(S(C)(=O)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1760189809 LYJRCTKKIIXKFD-HXUWFJFHSA-N 490.651 2.089 30 10 JEEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1CC1CC(C)(C)C1)[C@@H]1CCS(=O)(=O)C1 1760192883 ZHAKOFIJKDZVSC-QGZVFWFLSA-N 475.640 2.333 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H]1CCCN1S(C)(=O)=O 1760198910 PVMXFXRTQRDZSN-QGZVFWFLSA-N 461.975 2.104 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cccc(COC)c2)CC1 1760265202 RHGJEMCJBSCAPO-UHFFFAOYSA-N 487.564 2.086 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCCO[C@@H]2C(C)(C)C)CC1 1760271165 ODCQMCNWXSAUDJ-OFNKIYASSA-N 484.645 2.208 30 10 JEEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1760275081 ZIXRFQJZASDLFN-GOSISDBHSA-N 451.394 2.365 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(N2CCCCC2)CC1 1760316300 PJQYHVBXJWQQRX-ZVDOUQERSA-N 480.679 2.324 30 10 JEEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC2(CCC2)C[C@@H]1CC 1760358248 SXPOIFZNWULWFF-OALUTQOASA-N 467.636 2.363 30 10 JEEE C=C(C)COCCn1c(N2CCN(C3CC3)C(=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1760361977 XWOAGPCEFZFFQY-HDICACEKSA-N 474.606 2.453 30 10 JEEE C=CCCOCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(N2CCNC2=O)CC1 1760446309 NRVVKBYNRZSJLA-UHFFFAOYSA-N 455.519 2.440 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](CC)c2ccccc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1760548305 CRUKSXMNIGMFHG-NZQKXSOJSA-N 492.667 2.436 30 10 JEEE CC(C)(C)C(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1760717562 CNDDXLFGYHLSRJ-RTWAWAEBSA-N 482.585 2.275 30 10 JEEE CC(C)C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NC2CC2)CC1)N(C)C 1760979748 CCGUQXLTYFCRHX-HSZRJFAPSA-N 478.645 2.194 30 10 JEEE CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CCS1 1765246194 DOAMSOXXNUMFGX-IEBWSBKVSA-N 460.629 2.430 30 10 JEEE CN(CCOC(C)(C)C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1768953346 FXNQSAWWFBUWIW-LJQANCHMSA-N 490.630 2.404 30 10 JEEE COc1ccccc1O[C@H](C)Cn1c(C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1768957717 DVLCDDVGQWJFMF-MRXNPFEDSA-N 450.547 2.303 30 10 JEEE CNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CC(C)(C)CN1CCOCC1 1769096871 DSHREEFXZPAFDX-UHFFFAOYSA-N 467.618 2.384 30 10 JEEE COC1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(S(C)(=O)=O)CC2)CCCCC1 1769761854 BTBTXAORPPSQAN-UHFFFAOYSA-N 458.588 2.248 30 10 JEEE C#CCOC(=O)NS(=O)(=O)c1ccc(CCNC(=O)CCn2ccc3ccccc32)cc1 1859013641 FWPACIQKTADLNE-UHFFFAOYSA-N 453.520 2.438 30 10 JEEE C=CCNC(=O)[C@H](Cc1ccc(OC(C)=O)cc1)NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 1861807310 PTBUKBIHQGLXJQ-SFHVURJKSA-N 470.438 2.380 30 10 JEEE C=CCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2C)[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1864892299 FQIYRAJQSAKSDE-ZDUSSCGKSA-N 481.387 2.115 30 10 JEEE N#Cc1ccc(COc2cn(C[C@H]3CCCO3)c(CN3CCC(C(N)=O)CC3)cc2=O)cc1 1870348977 UZHUMLLJFTUQCO-JOCHJYFZSA-N 450.539 2.175 30 10 JEEE CCOC(=O)c1ccc(CSc2nnc(CNC(C)=O)n2/N=C/c2ccc(O)c([N+](=O)[O-])c2)o1 1874433474 MSBNPEMNHNUPMH-LSFURLLWSA-N 488.482 2.472 30 10 JEEE COc1ccc(/C=N/n2c(CNC(C)=O)nnc2SCC(=O)NC2CCCCC2)cc1O 1874434218 UMKPOSCFBPVKKK-FOKLQQMPSA-N 460.560 2.052 30 10 JEEE COCc1nnc(SCC(=O)OCC(C)C)n1/N=C/c1cc2c(cc1[N+](=O)[O-])OCCO2 1874503119 RDNPFHBSJXHDGC-DNTJNYDQSA-N 465.488 2.277 30 10 JEEE CC(C)(C)OC(=O)NCc1cn(CC(=O)N2CCC(=CB3OC(C)(C)C(C)(C)O3)CC2)nn1 2180971619 BPUSEBZUSBUYAH-UHFFFAOYSA-N 461.372 2.483 30 10 JEEE CC1(C)OB(c2cnc(C(=O)N3CC(NC(=O)OCc4ccccc4)C3)c(F)c2)OC1(C)C 2247838588 KIBLMDIIXUOQMK-UHFFFAOYSA-N 455.295 2.271 30 10 JEEE CC1(C)OB(c2n[nH]cc2C(=O)N[C@]2(C)CCN(C(=O)OCc3ccccc3)C2)OC1(C)C 2247918579 PYMNIHDOBPYQAA-HSZRJFAPSA-N 454.336 2.240 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2ccsc2B2OC(C)(C)C(C)(C)O2)[C@@H](O)C1 2255642959 NUYORTNYFSIEBT-CABCVRRESA-N 452.382 2.147 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]1NS(=O)(=O)Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2255794226 IZPLLKLUGFCQKA-IAGOWNOFSA-N 452.382 2.071 30 10 JEEE CN(C)C(=O)CN(Cc1ccccc1)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2255951343 CWVOPGGSOCCDIM-UHFFFAOYSA-N 464.418 2.326 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](CCC(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2256671418 SEVYIUMCFHAQLA-BETUJISGSA-N 452.386 2.281 30 10 JEEE COC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2267001309 JMZCVPOAGNTVSL-CQSZACIVSA-N 467.397 2.150 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCC[C@H]1NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2267468777 MVBVGOAKXMLJTD-UONOGXRCSA-N 487.453 2.308 30 10 JEEE Cc1sc(C)c(S(=O)(=O)N[C@@H]2CON(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267472787 VTVUHWKCVJWIGY-AWEZNQCLSA-N 488.437 2.493 30 10 JEEE C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)C[C@@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2268706947 OOQVXATYDUZCFE-MCIONIFRSA-N 466.413 2.479 30 10 JEEE CC1(C)OB(c2cncc(S(=O)(=O)N3C[C@H]4CCN(Cc5ccccc5)[C@H]4C3)c2)OC1(C)C 2282352468 OVCRIFHAABYRHB-KNQAVFIVSA-N 469.416 2.276 30 10 JEEE COc1ccc(S(=O)(=O)NC[C@H](C)CNC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2282408436 IETWVDZXZGBWJT-OAHLLOKOSA-N 484.424 2.434 30 10 JEEE Cc1c(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2F)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282542360 IGUDACRYBMLMSA-HUUCEWRRSA-N 466.363 2.105 30 10 JEEE CCc1nn(C)c(C(=O)N[C@H]2CC[C@@H]2CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2282559155 NMOJALUVTOLIES-ZBFHGGJFSA-N 462.400 2.315 30 10 JEEE C[C@H](CNC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 2282612206 CYFYWNZMJYDXKD-JLCFBVMHSA-N 481.424 2.180 30 10 JEEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCC(CNC(=O)C(F)(F)F)CC3)cc2)OC1(C)C 2282867579 BCFCDNAOFIKZBX-UHFFFAOYSA-N 476.326 2.065 30 10 JEEE CC1(C)OB(c2ccc(CS(=O)(=O)N[C@@H](COCc3ccccc3)C(=O)O)cc2)OC1(C)C 2284396618 XCJAQSCGJLUEPM-FQEVSTJZSA-N 475.372 2.075 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N1C[C@H](NC(=O)C(F)(F)F)CC[C@H]1C 2285200948 SQWMBBCTIYJAHO-UKRRQHHQSA-N 455.286 2.361 30 10 JEEE COC(=O)c1ccc(C=Nn2c(CNC(C)=O)nnc2SCC(=O)Nc2ccc(F)cc2)cc1 2330731632 ZUTHSSONDUUNGO-UHFFFAOYSA-N 484.513 2.453 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2C[C@H]1C[C@H]2NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2359318852 BFVLIUKQFZEVAL-CAOSSQGBSA-N 458.368 2.197 30 10 JEEE CS(=O)(=O)C1(C#C[C@H](NN)c2cc(I)ccc2Br)CC1 2367844704 NKZQHLLWOMUZME-LBPRGKRZSA-N 469.142 2.139 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)N2CC[C@H]1C2 2368748733 WFHVCXOTHSUVRB-JKSUJKDBSA-N 477.436 2.471 30 10 JEEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN([C@H](C(=O)OC)c3ccc(Cl)cc3)CC2)c1 25154951 FQANKXDPXXNZRO-NRFANRHFSA-N 491.997 2.476 30 10 JEEE COCCn1cc(/C=N/Nc2nc(SCC(=O)NC3C4CC5CC(C4)CC3C5)n[nH]2)cn1 59886675 KLNRKNKZTJWKQE-LSFURLLWSA-N 458.592 2.127 30 10 JEEE C=CCNC(=O)c1cn(CCC)nc1S(=O)(=O)N1CCN(c2ccccc2Cl)CC1 65152130 IIZGLJBVWZXHKE-UHFFFAOYSA-N 451.980 2.373 30 10 JEEE COc1ccc([C@H]2/C(=C(/O)c3ccc([N+](=O)[O-])cc3)C(=O)C(=O)N2CCOCCO)c(OC)c1 102562722 GRVREKHMZFGVMX-LCPUNJGISA-N 472.450 2.043 30 10 JEEE C=CCn1c(=O)c2ccccc2n2c(SC[C@H](O)COc3ccc4c(c3)OCO4)nnc12 109110362 PBNOUVLIFCUYEW-CQSZACIVSA-N 452.492 2.491 30 10 JEEE O=C(O)CCC(=O)N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(OC(F)(F)F)cc1 254312870 XYHORIRXSYNFIY-RYUDHWBXSA-N 452.432 2.051 30 10 JEEE C=CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCN(CC(=O)O)C(=O)C1 757454194 GULVDMMDFVZREQ-QFIPXVFZSA-N 477.517 2.225 30 10 JEEE C=CCOc1ccccc1C(=O)N1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)CC1 917381708 DAQKOXWYDGIUKB-UHFFFAOYSA-N 478.592 2.110 30 10 JEEE CCc1nnc(CNC(=O)CSc2n[nH]c(NN=Cc3ccc(Br)cc3)n2)o1 1084071528 UKVOYEHORUTPDJ-UHFFFAOYSA-N 465.337 2.367 30 10 JEEE COCCSc1nnc(NC(=O)CSc2n[nH]c(NN=Cc3ccc(O)cc3)n2)s1 1084406921 QJYQEDJYBWLSJV-UHFFFAOYSA-N 466.574 2.277 30 10 JEEE C#CCn1ccc(CN(CCOC)C(=O)c2nnn(-c3ccccc3Br)c2C)n1 1128671814 FACBTLYYCSWKNK-UHFFFAOYSA-N 457.332 2.457 30 10 JEEE C=CC[C@@H](NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccncc1 1136819788 DNZOYHRYPMIXNE-OAQYLSRUSA-N 456.568 2.128 30 10 JEEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2c(C)c(C(C)(C)C)nn2-c2ccccc2)CC1 1201085321 OZRDXBOELHBGON-UHFFFAOYSA-N 458.588 2.095 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC2CC(OCC)C2)c1 1286310873 GWWLLAWIRYVDQE-SNCIUUNGSA-N 499.637 2.442 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1C[C@H]1CCCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 1286388904 WRMXVAAAXWISJA-VQIMIIECSA-N 497.042 2.050 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCN1C[C@@H](C)C[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1286394090 NFJCSKNGCOKWFF-CIAFKFPVSA-N 477.675 2.167 30 10 JEEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1C[C@@H]1CCN(CC)C1)[C@H]1CCS(=O)(=O)C1 1286398353 XLULMKKFKKWCKD-YADHBBJMSA-N 485.654 2.442 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(Br)c2)n1CCOCCS(C)(=O)=O 1286436677 RQDVXEHQIILJAH-UHFFFAOYSA-N 455.378 2.228 30 10 JEEE C#CCN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC(=O)N1CCN(c2ccccc2)CC1 1286437021 FCIRXNRBGUDPII-AREMUKBSSA-N 480.613 2.127 30 10 JEEE C#CCSCCn1c(-c2ccccc2C)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1286498607 ARFNFHLVVVPXMS-HSZRJFAPSA-N 452.584 2.434 30 10 JEEE C#CCSCCn1c(Cc2ccc(F)cc2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1286506679 ZLPISZSCPGWZBA-WMZHIEFXSA-N 484.645 2.363 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(C)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1286528542 FLUUKICBTPWUKY-YADHBBJMSA-N 460.625 2.421 30 10 JEEE C=C(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)[C@H](C)CS(=O)(=O)CC 1286592311 YJGKEUXEWVUTPN-OAHLLOKOSA-N 454.622 2.074 30 10 JEEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(Nc2cc(OCC)ncn2)CC1 1286700858 SHGSIGAGKCJGRJ-QGZVFWFLSA-N 475.619 2.416 30 10 JEEE C=CCN(CC=C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1CCS(=O)(=O)CC1 1286757180 HSNPIRKXURCTNB-UHFFFAOYSA-N 471.631 2.455 30 10 JEEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC(C)(COC)CC1 1286779352 HCEVECRVLWXVGZ-UHFFFAOYSA-N 489.646 2.102 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1286793885 OXLODGKUXQDOJH-NLWGTHIKSA-N 460.623 2.240 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccccc2Br)C1 1286801024 VEGJEVIPOYXBMC-ZBFHGGJFSA-N 484.420 2.480 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CC2CN(C(=O)OC(C)(C)C)C2)C1 1286811465 DORMSWHOMVYXCA-GOSISDBHSA-N 460.579 2.049 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(NC(=O)COC)CC1 1286815532 ANCPXGADZLQEHB-UHFFFAOYSA-N 499.996 2.070 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@@H](c2ccco2)N(C)C)c1 1300332198 ZUXUEXZWVCCHKG-NRFANRHFSA-N 489.580 2.466 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccc(OCC(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 1300496638 SPBBLXVHMVTCPG-NHCUHLMSSA-N 472.611 2.492 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@@H](OC)C(C)C)[C@H]1CCS(=O)(=O)C1 1300504017 IFIMYXYRPKTOHQ-AZUAARDMSA-N 464.563 2.294 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1c[nH]c2c(C)cccc12 1300631337 PTFJYLFAMJSCFT-FQEVSTJZSA-N 470.599 2.103 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC2(N(C)C)CCCC2)CC1 1300681948 FMWLRHBNCVWAMZ-UHFFFAOYSA-N 484.048 2.491 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccccc2OC(C)C)CC1 1300722119 HTHMOSIEYQRUFL-FQEVSTJZSA-N 464.570 2.031 30 10 JEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N(CC)Cc1nc(O)c2sccc2n1 1300756542 PLBXJPZYSGDMHT-AWEZNQCLSA-N 457.585 2.332 30 10 JEEE C#CCSCCn1c(COCC)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 1300775914 CJOCILHGJAFMQZ-UHFFFAOYSA-N 463.629 2.082 30 10 JEEE C=CCN(C)c1nnc(CNC(=O)c2cccs2)n1CC(=O)N1CCN(c2ccccc2)CC1 1301305296 WGAJUDYQLLIYJT-UHFFFAOYSA-N 479.610 2.241 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@]2(C)[C@@H](C1)C2(Cl)Cl 1301479212 WHRVMULEAINCHB-BFUOFWGJSA-N 464.357 2.248 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1301568022 BRVNLJSRHMYNLN-KRWDZBQOSA-N 461.588 2.060 30 10 JEEE C[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1)N(C)C 1303735625 BZWNPMSPAAJDIT-DOTOQJQBSA-N 479.507 2.184 30 10 JEEE C[C@@]1(C#N)CCCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2(CS(C)(=O)=O)CC2)C1 1303934894 GXLUSXSYOOSTDO-NRFANRHFSA-N 491.639 2.303 30 10 JEEE C[C@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1CCN(C)C(=O)OC(C)(C)C 1305114913 HTBFSZKYSCWSNU-INIZCTEOSA-N 453.547 2.351 30 10 JEEE COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCCCCC2)CCO1 1315949822 BFOYRGIKQWJCOI-JOCHJYFZSA-N 454.575 2.456 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCN(C)CC(F)(F)F)CC1 1359031420 AUECJEVCRVMDTF-UHFFFAOYSA-N 466.508 2.212 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCCC(C)C)CC1 1359031561 HGWRJKRUTBNWNC-UHFFFAOYSA-N 458.632 2.387 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC(C)(C)C(=O)NCC)CC1 1359042155 UOWCNMRVGAHSPX-UHFFFAOYSA-N 496.612 2.090 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1359121891 MXYVETFAIXDMER-FQEVSTJZSA-N 456.572 2.228 30 10 JEEE C=C(Cl)Cn1c([C@H]2CCOC2)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1359150564 BBUYIWPCUGUYSK-KRWDZBQOSA-N 451.980 2.354 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1359151246 PVYQIFQMKITBPM-LLVKDONJSA-N 462.885 2.304 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCN2CCOC[C@@H]2C1 1359327610 GJXKLNBFWXAZPC-HKUYNNGSSA-N 496.033 2.193 30 10 JEEE COC(=O)N1CCC(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@H](C)CS(C)(=O)=O)CC1 1503885939 DFYQMYBIVZAGHQ-MRXNPFEDSA-N 474.587 2.164 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCNC(=O)C(C)C 1507539352 VDXLTSPWTYKEFP-MSOLQXFVSA-N 462.595 2.207 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCCOc1ccccc1)[C@H]1CCS(=O)(=O)C1 1507634548 YXSMMSGKJXNJLC-PMACEKPBSA-N 458.584 2.268 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCN2C[C@H](C)O[C@H](C)C2)CC1 1507717454 DKYBNOSNVGEBJQ-HDICACEKSA-N 490.450 2.290 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC2(CC)CC2)CC1 1507717698 GAJGMJDHRBLPMI-UHFFFAOYSA-N 456.616 2.141 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCN2CCCO[C@H](C)C2)CC1 1507721769 XTFQQTAJLLQRLU-HXUWFJFHSA-N 467.574 2.109 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC2(C(=O)NCC)CCC2)CC1 1507732311 FNTXKBFFXMPEQN-BGYRXZFFSA-N 499.660 2.110 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H](C)COc2ccccc2OC)CC1 1507739015 KSCWGRUZJCPGMF-CTNGQTDRSA-N 481.597 2.472 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H]2CCC[C@@H](O)C2)CC1 1507740371 RNJKIUIHXJQCOW-YLJYHZDGSA-N 456.616 2.151 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CCCOCC(F)(F)F)CC1 1507782177 VYAOZYLEEUWYMY-AWEZNQCLSA-N 495.344 2.229 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1507811182 OARTYSKAFDYZRP-UTKZUKDTSA-N 458.563 2.491 30 10 JEEE C=CC[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCN1CCOCC1)c1ccccc1 1507923952 GIKGZIHMJZQFDF-YADHBBJMSA-N 473.643 2.309 30 10 JEEE C=CCCCn1c(N2CCC[C@H](N3CCCS3(=O)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1507954640 WMBUDHAYLLWECL-SIKLNZKXSA-N 467.636 2.289 30 10 JEEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(N2CCOCC2)c1 1508036750 RCLJHIYIZZIYBX-UHFFFAOYSA-N 454.575 2.038 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1508092632 DJGJXBKXZLZVRW-UHFFFAOYSA-N 496.612 2.397 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCC(Nc2cccnn2)CC1 1508136048 RAPDAQTWSHOQCU-UHFFFAOYSA-N 483.598 2.425 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 1508144353 PPMBIXZDYXICIP-UTKZUKDTSA-N 460.600 2.482 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H](C)CN1CCN(CC)CC1 1538982864 KHZJLJXWYUXLIF-VQTJNVASSA-N 472.659 2.080 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H](c1ccc(F)cc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1539216255 PUTYNASEWUWIQX-TZIWHRDSSA-N 470.574 2.342 30 10 JEEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCNC(=O)C(C)C 1539324519 VIWLZDKJTNRMFM-UHFFFAOYSA-N 462.602 2.077 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1Cc1ccc(N2CCCCCC2)nc1 1539396966 VSXLHDNJGKRSBO-UHFFFAOYSA-N 453.591 2.326 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](CC)c3ccccc3)n2CCCNC(C)=O)CC1 1539470125 YHADWELJHHQYNB-JOCHJYFZSA-N 450.587 2.312 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2CCC(=O)N[C@@H](C)CC)CC1 1539476029 QQUIECSHPLEELE-SFHVURJKSA-N 466.586 2.224 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC[S@](=O)C(C)(C)C 1539548017 CXJONWQLCWIJPS-KCEHZKJRSA-N 452.588 2.460 30 10 JEEE C=C(Br)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](n2cncn2)C1 1539574760 PQOSKMYYBPIMJE-CQSZACIVSA-N 458.324 2.267 30 10 JEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(C(C)(C)C)CC1 1539966448 JQLIEHVQXFLOOS-IBGZPJMESA-N 468.668 2.278 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(O)CCOCC1 1540136574 IUTCTRUWJZVIBV-GOSISDBHSA-N 464.563 2.053 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1CCS(=O)(=O)CC1 1540137152 PZBLBURDSCYFSW-LJQANCHMSA-N 496.630 2.337 30 10 JEEE C=CCN(CCOC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@]1(O)CCOC1 1540198878 RUHSXGOOQFAFHN-XMMPIXPASA-N 468.558 2.026 30 10 JEEE C=CCn1c(-c2cc(Br)c[nH]2)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1540854378 BKTJVKMEFCYTDU-CQSZACIVSA-N 458.382 2.252 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccc(C(C)(C)O)c2)C1 1540893247 ZEUGQQSTEMIGFO-ICSRJNTNSA-N 460.600 2.237 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1540902476 KOXYCNDBQQBTHL-LJQANCHMSA-N 471.583 2.302 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCN(CCN3[C@@H](C)CC[C@H]3C)CC2)nnc1C(C)(C)C 1540908509 IHNNOBXORDBDCQ-BGYRXZFFSA-N 466.696 2.171 30 10 JEEE CC(C)(O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1541247481 ACQTUBAVNYROCJ-UHFFFAOYSA-N 494.987 2.226 30 10 JEEE C#C[C@H](NC(=O)C1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1)c1ccc(Cl)cc1F 1584727305 IWGITHNXKHVPCD-SFHVURJKSA-N 452.939 2.412 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H](C(=O)Nc2cc[nH]n2)c2ccccc2)ccc1F 1585202763 RLFMGDKTSJAYNQ-LJQANCHMSA-N 457.487 2.123 30 10 JEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 1586260450 GZJNGNQMJPEOSK-XIRDDKMYSA-N 450.561 2.177 30 10 JEEE C#CCCCn1c(N2CCN(CC(=O)N(C)C3CCCCC3)CC2)nnc1[C@]1(OCC)CCOC1 1587893654 GREOBKNKBVBJJS-SANMLTNESA-N 486.661 2.257 30 10 JEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cccc(OC)c1OC 1587970382 WBQIDDOSZPBDHT-UHFFFAOYSA-N 454.556 2.373 30 10 JEEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCNC(=O)c1cccs1 1587985373 ZWSRYNOSUNCLAF-UHFFFAOYSA-N 450.572 2.013 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccccc1OCC=C)[C@H]1CCS(=O)(=O)C1 1588053377 DPHBTOUWCUDJEC-PMACEKPBSA-N 456.568 2.022 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1cnn(C)c1C 1588186639 ZLDLQCKCBRZSFZ-UHFFFAOYSA-N 464.599 2.100 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1CC1(C(=O)NCC)CCC1 1588219210 OJSNGLKPTUPHHK-UHFFFAOYSA-N 457.538 2.363 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCCN1CCOCC1 1588314314 AJFALWXYZKDFMA-UHFFFAOYSA-N 463.586 2.247 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CC1(c2ccc(F)cc2)CCOCC1 1588638552 SYTUUNLZBXJPBX-FQEVSTJZSA-N 455.534 2.203 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H](OC)C2CC2)CC1 1588892015 VRTIHYVLMQGXTA-LJQANCHMSA-N 489.418 2.437 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2Cc2cnccc2OC)CC1 1588899204 MQQPXNLCKLZVFQ-UHFFFAOYSA-N 460.538 2.371 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](C2CCOCC2)C1 1589493489 HOSSESSIYMHOEU-FFGOWVMKSA-N 467.636 2.122 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1589556442 CIBWPWAVALNMJK-LADGPHEKSA-N 494.640 2.332 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1ccc(C(C)(C)O)cc1 1611696305 FKZQUWXVTPNHJE-ZHRRBRCNSA-N 460.604 2.294 30 10 JEEE CC1(C)COCCN1CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@](C)(C#N)C1 1611765119 FMKSPGPAQAWAKD-HSZRJFAPSA-N 452.563 2.166 30 10 JEEE COCCn1cc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(CNC(C)=O)CC2)cn1 1619923965 HDPKDPJAKMFOQI-UHFFFAOYSA-N 462.558 2.060 30 10 JEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NC3CCN(C4CCCCC4)CC3)CC2)cc1 1632529450 DBUFJXZTFMWBPI-UHFFFAOYSA-N 459.616 2.371 30 10 JEEE C=CCc1cc(C(=O)N2CCC(C(=O)NCCCN3CCOCC3)CC2)cc(OC)c1OC 1634229617 PONRTRQPYQWMMU-UHFFFAOYSA-N 459.587 2.123 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1C[C@H](c1ccccc1)N1CCOCC1 1689832006 VMYJBCXAIPWIIX-HOKHCIIBSA-N 453.587 2.462 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H](C)CN1CCN(CC)CC1 1689841411 GBVXWZLEJUOBCI-PMACEKPBSA-N 452.603 2.448 30 10 JEEE C#CCCCn1c(COc2ccc(OC)cc2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1689940205 QIHPTBSLJSLFTA-UHFFFAOYSA-N 480.613 2.414 30 10 JEEE C#CCCCn1c(COc2ccccc2OC)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1689940264 SPWBTTHJWYEANZ-OAQYLSRUSA-N 480.613 2.412 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCCCN1CCC[C@@H](C)C1 1690189970 HTQATFXOCJFZMR-XQBPLPMBSA-N 450.653 2.393 30 10 JEEE C=CCCOCCn1c(Cc2csc(C)n2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1690510298 ZIYDECFFKKHWKF-FQEVSTJZSA-N 451.618 2.242 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC(CN2CCCCCC2)CC1 1690714615 PYVRDDZWFXVFLL-UHFFFAOYSA-N 492.690 2.207 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCN2C(=O)OC[C@H]2C1 1690715130 DPLRZPCQGCSZOF-DOTOQJQBSA-N 495.989 2.313 30 10 JEEE Cc1ccccc1-c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCNC(=O)C(C)C 1693245117 AWUXEIQABJFVLI-LJQANCHMSA-N 473.585 2.403 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1ccc(COCC)cc1)[C@H]1CCS(=O)(=O)C1 1705564587 CPNVMYGUXZIEBV-VXKWHMMOSA-N 472.611 2.384 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1CCCN1CCCO 1705581410 ATVAQWNJCJZDCO-YADHBBJMSA-N 484.645 2.312 30 10 JEEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1705657641 LUBURNNGWCLWBZ-QGZVFWFLSA-N 458.588 2.436 30 10 JEEE C=CC1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCC[C@@H]2N2CCCS2(=O)=O)CC1 1705775731 KOWRDCMYFCBLJV-OALUTQOASA-N 464.636 2.023 30 10 JEEE C=CC1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@]2(O)CCN(C)C2)CC1 1705778391 UWLIJPYFFIZRBV-DEOSSOPVSA-N 457.575 2.440 30 10 JEEE C=CCC(C)(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(C(=O)COC)CC1 1705792264 QAHLVFYPYNBFST-UHFFFAOYSA-N 482.633 2.349 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1705792702 YOEWSFDZEBGVTG-ZCNNSNEGSA-N 465.664 2.330 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ccc(F)c(F)c1)C1CC1 1705854429 KOOSMVCLMZXBIJ-IBGZPJMESA-N 483.541 2.123 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC(Cn2cncn2)CC1 1705897907 WQULXYWQNIKEQC-QGZVFWFLSA-N 468.537 2.368 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@@H]2C)cc1 1705911563 LCRIKBKQVSMVIG-PXNSSMCTSA-N 461.588 2.213 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1705933330 CICXYQHPMGZVQR-ZWKOTPCHSA-N 463.991 2.447 30 10 JEEE COCCn1cc(Cn2c(CCc3ccc(OC)cc3)nnc2N2CC[C@@](F)(C#N)C2)cn1 1712465793 BDAPDAYNBGHXBY-HSZRJFAPSA-N 453.522 2.405 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1Cc1cnn(CC)c1)[C@H]1CCS(=O)(=O)C1 1722357916 BAHJIBDGHZXMOK-NRFANRHFSA-N 495.609 2.039 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@]1(O)CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1722358677 FBOSZWGXPHMQMR-WCAVRKLYSA-N 458.584 2.132 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1CC1(O)CCN(C(C)C)CC1 1722376316 MFEBKZBOBLRINP-UHFFFAOYSA-N 473.419 2.354 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1CC1(OCCOC)CCOCC1 1722376672 XMEGYKJUAFPGQQ-UHFFFAOYSA-N 476.375 2.321 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1nccn1C(F)F 1722406515 QUAUSZYOIVRUND-UHFFFAOYSA-N 463.514 2.295 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H](C2CC2)N(C)C)CC1 1722449751 YIFCNCICBRSTOP-QFIPXVFZSA-N 452.578 2.314 30 10 JEEE C=CCCOCCn1c(-c2cccc(C)n2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1722624340 AMJZIDOTNKZFAO-UHFFFAOYSA-N 454.575 2.316 30 10 JEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCCc1nc(C)cs1 1722639555 AMKJHEAHSGJDQV-MRXNPFEDSA-N 454.622 2.021 30 10 JEEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1722732288 IZQCIRLMSMSIKS-QFBILLFUSA-N 476.628 2.257 30 10 JEEE CC(=O)NC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCc2nc(C)c(C)s2)CCO1 1722848080 GEONUILSXDXZFP-NRFANRHFSA-N 495.609 2.386 30 10 JEEE C[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H](C)CC#N)N1CCN(c2ccccc2)CC1 1723808708 CHCBZCZEIOIAIM-SFTDATJTSA-N 464.618 2.463 30 10 JEEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2CCN(C(C)=O)CC2)C[C@H](C)O1 1730585730 DVBKFMNBUKMECS-JTSKRJEESA-N 452.559 2.315 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CCNC(=O)c1ccccc1F 1740558607 UDBVKCWFOOPFGD-OAHLLOKOSA-N 454.531 2.297 30 10 JEEE C#CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCN1CCN(CC)CC1 1740608043 JSFUJKUWYARBJY-NRFANRHFSA-N 473.666 2.490 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1Cc1ncccc1C)[C@H]1CCS(=O)(=O)C1 1740626030 RKONZQPAMAMGID-FQEVSTJZSA-N 465.579 2.256 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1C[C@H]1CCN(CC)C1)[C@@H]1CCS(=O)(=O)C1 1740628120 NOWQBJKYQMNGNH-FCHUYYIVSA-N 485.654 2.442 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1CCc1cnc2c(Cl)cnn2c1 1740629089 ABRPPYVZWAODDD-UHFFFAOYSA-N 452.950 2.208 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@]1(N(C)C)CCSC1 1740685309 DUVFJTPKXBWOFE-OFNKIYASSA-N 457.600 2.314 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCCCCOC)CC1 1740695796 DJJOEUUDRKAGCZ-FQEVSTJZSA-N 476.622 2.158 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2CCNC(=O)c2ccco2)CC1 1740707948 WFWXFTQYZZZYIB-UHFFFAOYSA-N 490.564 2.154 30 10 JEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 1740716359 QHSRQADGSAKIKO-SFHVURJKSA-N 458.563 2.070 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)c(OC)c2)n1CCN1CCN(C(C)=O)CC1 1740728109 NBGSYGPJPBCDTN-RUZDIDTESA-N 466.586 2.119 30 10 JEEE C=C(Br)Cn1c(-c2cccc(C)n2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1740742863 DMZYMICKHQWRON-UHFFFAOYSA-N 483.374 2.378 30 10 JEEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 1740792510 YUEMSQQVFZIUEP-UHFFFAOYSA-N 462.558 2.089 30 10 JEEE C=C(C)COCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1740797592 ROHRKQDWCQPCQS-RUZDIDTESA-N 493.568 2.136 30 10 JEEE C#CCCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(NS(C)(=O)=O)CC1 1748707074 ZWLBZCRQNWSZGA-UHFFFAOYSA-N 461.588 2.284 30 10 JEEE C#CCN(c1nnc(CSc2ccc(Cl)cc2)n1CC(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 1748824034 HPLHJPRBSQPERS-QGZVFWFLSA-N 496.058 2.375 30 10 JEEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1749044803 UQDVXTNZHAPXAK-UHFFFAOYSA-N 464.555 2.260 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N(C)CCS(C)(=O)=O 1749135073 CKHABVLDFDYSDW-JXFKEZNVSA-N 452.552 2.458 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCN1CCOC[C@@H]1C 1749146554 HQJUAYILEMVUQP-IBGZPJMESA-N 476.647 2.319 30 10 JEEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 1749409322 VGTICTMNUBPHHE-UHFFFAOYSA-N 457.554 2.282 30 10 JEEE C=CCCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1749434244 LYUUSMAUKOETMS-LJQANCHMSA-N 466.586 2.402 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@]1(OC)CCOC1 1749554181 QGEXXTOBLZKOKH-JXFKEZNVSA-N 452.602 2.240 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1749726123 XRSRZYJLFHOZEB-HUUCEWRRSA-N 475.036 2.457 30 10 JEEE CS(=O)(=O)Cc1cccc(Cn2c(-c3cnccn3)nnc2N2CCC(CC#N)CC2)c1 1750197958 AFIHZYKNOJEEGR-UHFFFAOYSA-N 451.556 2.458 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CCN(C)C(C)C 1750965210 HHUPNBOTOWASCN-UHFFFAOYSA-N 456.570 2.094 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CCN(C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1760188820 DHUPGLOTHYRZNM-JOCHJYFZSA-N 464.595 2.027 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1cccc(OCC)c1)[C@H]1CCS(=O)(=O)C1 1760191052 ZXZORIGHSACTJV-NRFANRHFSA-N 465.579 2.338 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CC1([S@](C)=O)CCC1)[C@@H]1CCS(=O)(=O)C1 1760192057 PYAMVSAJGNHNCX-WHUARKNTSA-N 490.651 2.093 30 10 JEEE C#CCSCCn1c(COc2ccc(Br)cc2)nnc1N1CCS(=O)(=O)CC1 1760284710 QGIUKVOMNXCJMJ-UHFFFAOYSA-N 485.429 2.221 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1760318359 NAYBRMOSWJVEDS-AZUAARDMSA-N 461.588 2.017 30 10 JEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC2(CCCCC2)O1 1760464194 BRJZLKGKKHKIIS-QZTJIDSGSA-N 453.609 2.115 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1760518436 VEFWDNCEOBZFPC-DLBZAZTESA-N 458.950 2.157 30 10 JEEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1760526548 BSLYWKLEHFPHHR-RUZDIDTESA-N 452.603 2.057 30 10 JEEE C=CCOc1ccc(Cn2c(-c3noc4c3COCC4)nnc2N(C)[C@H](C)CC(N)=O)cc1 1760529956 MSYLZEUAPQHILD-OAHLLOKOSA-N 452.515 2.319 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC(=O)N2CCOCC2)C1 1760537649 PPXLXCCADRIZBC-XLIONFOSSA-N 459.522 2.197 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC(C(=O)NC2CCCCC2)CC1 1760553816 IZERFQUQKOLFKL-UHFFFAOYSA-N 487.630 2.001 30 10 JEEE CC(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(C(=O)N(C)C)CCCC2)CC1 1760652004 FBCAAUDGIJBWHA-UHFFFAOYSA-N 493.612 2.482 30 10 JEEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CSCCS2)C1 1767251727 CDWJGUFZJUCRFD-ZWKOTPCHSA-N 478.669 2.183 30 10 JEEE CCO[C@@]1(c2nnc(N(C)Cc3ccc(C#N)cc3)n2CCN2CCOC[C@H]2C)CCOC1 1767388122 CRVIDULBXYIBCO-DVECYGJZSA-N 454.575 2.159 30 10 JEEE CSC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(CC(=O)N(C)C)CC2)CCC1 1770476020 BAYHRPDZEFHCKT-UHFFFAOYSA-N 483.642 2.225 30 10 JEEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccccc1[N+](=O)[O-] 1862740541 TVLOPCLSYMGZNB-SFHVURJKSA-N 454.395 2.217 30 10 JEEE CCOc1cc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2CCCNC=O)ccc1O 1862745165 CCQGXLRNKFOQTB-HXUWFJFHSA-N 469.450 2.414 30 10 JEEE CSCC[C@@H](NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1)C(=O)N1CCC(CO)CC1 1868784651 XVLUNEHEILGMOG-UXHICEINSA-N 478.684 2.494 30 10 JEEE N#Cc1cccc(C(=O)Nc2nc(N3CCN(CCO)CC3)nn2-c2cccc(Cl)c2)c1 1870015452 HPKJHDMWJNVZAR-UHFFFAOYSA-N 451.918 2.159 30 10 JEEE C#CCOc1cn(CCc2cnc[nH]2)c(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1=O 1870560164 JXBSMNIHPKSTCN-UHFFFAOYSA-N 462.510 2.057 30 10 JEEE CCOc1ccc(-c2cc(C(=O)N3CCC(OCC#CCN4CCN(C)CC4)CC3)n[nH]2)cc1 1890636108 ZFIAKDVDGXYBGM-UHFFFAOYSA-N 465.598 2.347 30 10 JEEE COC(=O)Nc1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)NCC#CCN2CCCCCC2)cc1 1891584891 FYRVSRWGKHLPLV-QFIPXVFZSA-N 490.626 2.404 30 10 JEEE CC(C)(C)OC(=O)NCc1ccc(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)cn1 2180981029 PBCWRZXIQOMFML-UHFFFAOYSA-N 455.324 2.448 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@@](O)(C(=O)NCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2185161015 GTLYARGWCNKXMW-DEOSSOPVSA-N 460.380 2.364 30 10 JEEE CNC1(C#N)CC(C)(Cn2cnc(I)c2I)C1 2251367203 VZMSHJGHXYCXFR-UHFFFAOYSA-N 456.069 2.374 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](NS(=O)(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2255753947 UMFNFDCFWJQYCX-MRXNPFEDSA-N 452.382 2.274 30 10 JEEE Cc1csc(C(=O)N[C@@H]2COC[C@@H]2NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2255836868 GECPBESWYJGGFI-KGLIPLIRSA-N 452.382 2.378 30 10 JEEE C[C@@H](NC(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)C1(O)CN(C(=O)OC(C)(C)C)C1 2255880011 YMLIIUKTXVMKQB-CYBMUJFWSA-N 452.382 2.147 30 10 JEEE CC(C)(C)OC(=O)N[C@]1(C(=O)NCc2cc(B3OC(C)(C)C(C)(C)O3)cs2)CCOC1 2256666114 IEVQZTAOIATDMA-OAQYLSRUSA-N 452.382 2.347 30 10 JEEE CC(C)(C)OC(=O)NC[C@]1(O)CCCN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)C1 2258472474 HZHILXHPHPYALG-KSFYIVLOSA-N 454.568 2.452 30 10 JEEE CC(C)(C)OC(=O)NCCCONS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2267352076 ASGQDFUWDLJUFW-UHFFFAOYSA-N 474.360 2.250 30 10 JEEE CC(C)(C)OC(=O)N[C@]12C[C@@H]1CN(S(=O)(=O)c1cccc(B3OC(C)(C)C(C)(C)O3)c1)C2 2267378235 NPKMIHBBJKJBDB-QRQCRPRQSA-N 464.393 2.274 30 10 JEEE CC[C@](C)(CNC(=O)OC(C)(C)C)N(C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2267492782 VOMWYDNNXGIOHQ-JOCHJYFZSA-N 450.389 2.485 30 10 JEEE CC(C)(C)OC(=O)N[C@@]1(C(=O)O)CCN(C(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2267597427 VGBHFMGJJOHBPM-NRFANRHFSA-N 466.365 2.241 30 10 JEEE CN(C1CN(C(=O)OC(C)(C)C)C1)S(=O)(=O)c1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2267706940 INDAQQQJJXSRGY-UHFFFAOYSA-N 470.372 2.365 30 10 JEEE CNC(=O)CN(Cc1ccccc1)S(=O)(=O)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2267707841 YYVRELPNXWMVHJ-UHFFFAOYSA-N 458.389 2.064 30 10 JEEE Cc1c(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281798344 HCTRROQIKPHOSE-GDBMZVCRSA-N 462.400 2.403 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)[C@H]1C1CC1 2282013025 DGHGKGYOZDKSEY-IAGOWNOFSA-N 458.368 2.294 30 10 JEEE CCn1cc(C(=O)N[C@H]2CCOC[C@@H]2NC(=O)OCc2ccccc2)nc1B1OC(C)(C)C(C)(C)O1 2282042410 GUWZOUPWCPBLMT-ICSRJNTNSA-N 498.389 2.016 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(C(=O)NC[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)c1 2282112555 DMENUDSCBNLBQE-XMMPIXPASA-N 460.380 2.396 30 10 JEEE CN(C[C@@H]1CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)CCO1)C(=O)OC(C)(C)C 2282191153 VBSGECZOVQJEAS-QGZVFWFLSA-N 461.368 2.089 30 10 JEEE Cc1ccnc(C(=O)N2CC[C@@H](NC(=O)C(F)(F)F)C[C@H]2C)c1B1OC(C)(C)C(C)(C)O1 2282567644 QPVQYFBUAHOCGW-ZIAGYGMSSA-N 455.286 2.361 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@@H](NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)[C@H]2C1 2282579914 LUFNLXSGAQRACH-HRCADAONSA-N 460.384 2.474 30 10 JEEE Cc1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H]3COC[C@@H]32)oc1B1OC(C)(C)C(C)(C)O1 2282581386 HJGSYQODCUZCQM-HOTGVXAUSA-N 462.352 2.348 30 10 JEEE CC(C)(C)OC(=O)N1CC2(CCC[C@@H]2NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2282611953 BLUONQYJPCZDNV-INIZCTEOSA-N 458.368 2.295 30 10 JEEE CN(Cc1ccccc1)[C@H]1CCCCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)C1 2282700593 RNIMEKFFCPDSHK-IBGZPJMESA-N 453.396 2.241 30 10 JEEE CN(CCOCCNS(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)OC(C)(C)C 2282868473 NUZZQFYTEIIYND-UHFFFAOYSA-N 484.424 2.148 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2CN(C(=O)c3nccnc3B3OC(C)(C)C(C)(C)O3)C[C@H]21 2283063777 XJUJJZDEORRMNW-ARFHVFGLSA-N 458.368 2.151 30 10 JEEE CC1(C)OB(c2ccccc2C(=O)N[C@@]2(C(=O)O)CCN(Cc3ccccc3)C2)OC1(C)C 2284475098 SKQITGDFXPSXIR-VWLOTQADSA-N 450.344 2.445 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1CC(F)(F)CN1C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2296414040 PXWMRVIJIQFWFO-CQSZACIVSA-N 468.310 2.150 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]2C[C@H]12 2359278383 PABHRIRKNWLQTK-OWCLPIDISA-N 460.384 2.155 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@]2(C1)CN(C(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1)CCO2 2362568737 JWAONFWEANNVHR-JOCHJYFZSA-N 479.408 2.294 30 10 JEEE CC(C)(C)OC(=O)NC[C@]1(Oc2cccc(B3OC(C)(C)C(C)(C)O3)n2)CCCS(=O)(=O)C1 2368395691 ZYEYLXYOSLRANU-JOCHJYFZSA-N 482.408 2.232 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](CNC(=O)c2occc2B2OC(C)(C)C(C)(C)O2)N2CC[C@H]1C2 2368745785 VNLGWZGHSUAREO-JKSUJKDBSA-N 461.368 2.002 30 10 JEEE CC1(C)OB(c2cc(C(=O)N[C@H](CCO)COCc3ccccc3)c(O)cc2O)OC1(C)C 2369529352 VFPPGBVPGBMVDZ-QGZVFWFLSA-N 457.332 2.095 30 10 JEEE C=CCn1c(SCC(=O)N2CCN(Cc3nnc(C)o3)CC2)nnc1-c1cccc([N+](=O)[O-])c1 59789412 ABECECSOQOWPHW-UHFFFAOYSA-N 484.542 2.167 30 10 JEEE CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 208073108 RLELUHNRBUUISA-ZWKOTPCHSA-N 489.426 2.338 30 10 JEEE CCCc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(F)c(C#N)c3)CC2)cc1 488859484 VVBYMNULHLJIBW-UHFFFAOYSA-N 451.545 2.345 30 10 JEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC(F)(F)F)c(=O)n1-c1ccccc1C#N 515662059 AAFLAWXQDOOWFU-UHFFFAOYSA-N 496.470 2.475 30 10 JEEE CCCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1[C@@H](C)c1cccs1 729672474 PXFRIRSQMLIXKF-HNNXBMFYSA-N 463.588 2.258 30 10 JEEE C#CCN(CC(=O)O)C(=O)[C@]1(C)COC[C@@H]1NC(=O)OCC1c2ccccc2-c2ccccc21 757298824 ULYHGBNNKZGTNS-BKMJKUGQSA-N 462.502 2.477 30 10 JEEE Cc1nn(C)c2ncc(C(=O)[C@@H](C#N)C(=O)Nc3cccc(S(=O)(=O)N4CCCCC4)c3)cc12 916948568 GJWUVYYLAYTTOR-HXUWFJFHSA-N 480.550 2.413 30 10 JEEE COc1ccc(CCNC(=O)CSc2n[nH]c(NN=Cc3cccc(OC)c3O)n2)cc1OC 1084352346 OXCQHIUBVCLQMW-UHFFFAOYSA-N 486.554 2.433 30 10 JEEE C#CCC[C@H](O)CNC(=O)c1cccc(NC(=O)C[C@@H]2SC(N3CCCCC3)=NC2=O)c1 1155521793 XXNLJUUHZNHXGB-OALUTQOASA-N 456.568 2.003 30 10 JEEE CC(=O)c1cccc(C#N)c1OCC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 1166722806 YBENLTRRRLWTNT-UHFFFAOYSA-N 457.508 2.108 30 10 JEEE CN(CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2)C(C)(C)CN1CCOCC1 1195054654 HAYRGTPUTOLRTN-IBGZPJMESA-N 457.619 2.399 30 10 JEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCCn2ccnc21 1286365730 IEYCOJYZDAZLCR-SFHVURJKSA-N 453.572 2.039 30 10 JEEE C#CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCCCS1(=O)=O 1286382547 YKMPMBKIUXZXRZ-IRXDYDNUSA-N 451.593 2.387 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@H](c1cccnc1)C(C)C)[C@H]1CCS(=O)(=O)C1 1286389697 OSTWXQIPWCEEAI-SFTDATJTSA-N 467.599 2.140 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCc1csc(C(C)C)n1)[C@H]1CCS(=O)(=O)C1 1286390255 ZHRUXMOKZUBDFP-SFHVURJKSA-N 473.628 2.128 30 10 JEEE C#CCN(c1nnc(CC2CCCC2)n1Cc1csc(COC)n1)[C@@H]1CCS(=O)(=O)C1 1286394371 VSJSKBDBHLKIBB-GOSISDBHSA-N 463.629 2.289 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCc2nc(C(F)(F)F)cs2)CC1 1286473652 VVNPUCNTEJWRLC-FQEVSTJZSA-N 484.548 2.403 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2CCCN2CCCCC2=O)CC1 1286483850 AWXJQAVQHCRLKM-UHFFFAOYSA-N 466.586 2.024 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CCNS(C)(=O)=O 1286564665 WXEBBOLXJXDDOC-AKHDSKFASA-N 469.652 2.163 30 10 JEEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 1286585613 KXTYKWZCPRUCFG-IRXDYDNUSA-N 461.592 2.023 30 10 JEEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](n2cncn2)C1 1286605478 XOVKFTCDCWZVLS-IBGZPJMESA-N 471.587 2.374 30 10 JEEE C=CCCOCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1286712005 WKZIROSURORDOZ-FQEVSTJZSA-N 456.572 2.347 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCN(c2ncccc2C#N)CC1 1286817786 XWBIGLAOVMUGNR-UHFFFAOYSA-N 493.593 2.148 30 10 JEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(C2CC2)nn1[C@@H]1CCS(=O)(=O)C1 1293827327 WWRMEMDKHXOCAB-HZPDHXFCSA-N 450.561 2.365 30 10 JEEE CCCn1nc(-c2nnc(N(C)C[C@@H](C)C#N)n2CCN2CCOC[C@@H]2C)c2ccccc2c1=O 1294763522 DPGBZRDEXPOVJI-OALUTQOASA-N 478.601 2.382 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccnc(SC)c2)c1 1300332812 OWMSBWQRAPETDX-IBGZPJMESA-N 475.578 2.451 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](OC)c2ccc(Cl)cc2)CC1 1300681398 NVRIDQQSLQYGHV-FQEVSTJZSA-N 456.978 2.310 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H](C)CNC(=O)OC(C)(C)C)CC1 1300685921 UZIWZBHZDMXPFS-NLFFAJNJSA-N 490.649 2.235 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCCCS2)CC1 1300711579 CWSUYQYAYSBMJV-SFHVURJKSA-N 467.599 2.177 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2nc(C(F)(F)F)cs2)CC1 1300719785 PZKRQUDGAOMQMI-UHFFFAOYSA-N 478.504 2.168 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2cccc(C)c2)nnc1N1CCN(CCOC)C(=O)C1 1300893143 XUVYWCHDPTYPTO-HYBUGGRVSA-N 469.586 2.442 30 10 JEEE C=C(C)COCCn1c(N2C[C@@H]3[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]3C2)nnc1C(C)(C)C 1301002431 ZMARHUZDMDZQNH-KURKYZTESA-N 497.662 2.295 30 10 JEEE C=CCCOCCn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1301241153 OFNRMPRKFWULSG-JOCHJYFZSA-N 468.602 2.289 30 10 JEEE C=CCN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@H](N1CCOCC1)C(F)(F)F 1301305167 QSRWRGJQVPDTCF-HNNXBMFYSA-N 458.510 2.155 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1301485152 SAHDFCOZSWWHAY-BFUOFWGJSA-N 482.404 2.456 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N(CCO)Cc1ccc(F)c(Br)c1 1301500201 KAZAZWWNIUZYEI-MRXNPFEDSA-N 496.381 2.375 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1301520145 CNWQRZXEGVBOQL-TZIWHRDSSA-N 487.649 2.225 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCOC(C)(C)C1 1301576258 BWTKAFQIAZWONV-UHFFFAOYSA-N 450.561 2.178 30 10 JEEE CCCC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1306508522 GGLFFHLJMAXOJM-OSPHWJPCSA-N 452.559 2.242 30 10 JEEE COCc1cc(C(=O)OC)cc(S(=O)(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)c1 1309024305 ATYDSAHPQFRPMM-UHFFFAOYSA-N 457.552 2.388 30 10 JEEE N#C[C@@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCOc2cccc(C(F)(F)F)n2)C1 1316531242 HZYIOJNNUUGAHH-UGSOOPFHSA-N 488.467 2.115 30 10 JEEE C#CCCCCn1c(Cc2ccccn2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1358914168 KEILJKPBSRQTHF-XMMPIXPASA-N 465.646 2.299 30 10 JEEE C#CCN(C)c1nnc(C(=O)NC(CC)CC)n1Cc1ccc(CN2CCC(O)CC2)cc1 1358936892 AQJUTNPDCXFIPO-UHFFFAOYSA-N 452.603 2.271 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1CCCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1358959843 QRUDFOCKAXIALF-LJQANCHMSA-N 457.600 2.066 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1cc(OC)ccc1OC)[C@H]1CCS(=O)(=O)C1 1358960276 AQGCOKWQPFBLMF-IBGZPJMESA-N 467.551 2.032 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CC(C)(C)OC)[C@H]1CCS(=O)(=O)C1 1358967235 GKLPKQWGNGFGHX-KRWDZBQOSA-N 450.536 2.048 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2COc3ccccc3O2)n1CC1(OCCOC)CCOCC1 1358994118 FSKBMLZQOLQQGY-QHCPKHFHSA-N 480.565 2.466 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2ccc(Br)s2)CC1 1359034856 FCGOFBYSUQFQPS-HNNXBMFYSA-N 463.405 2.051 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2CC2([S@@](C)=O)CCC2)CC1 1359047809 ULQDCBKHGPUTIX-UUWRZZSWSA-N 487.601 2.263 30 10 JEEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1359086120 KWMSZQSJGYWEHX-MRXNPFEDSA-N 481.420 2.370 30 10 JEEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1359145953 JANNXXHWVVIFOW-UHFFFAOYSA-N 497.412 2.299 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Br)c2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1359328033 RFQFNFREDFRHEZ-FQEVSTJZSA-N 494.415 2.025 30 10 JEEE CC(C)(C)NC(=O)CCn1c(-c2cnccn2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1359551216 DAEHVCFOMNLCEE-FQEVSTJZSA-N 460.542 2.489 30 10 JEEE Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)NCCn3cc(C#N)c(O)nc3=O)cc12 1453826942 HYZMAFBAVQUWIO-UHFFFAOYSA-N 452.471 2.158 30 10 JEEE C#CCNS(=O)(=O)c1cccc(C(=O)NCC2(N[C@H](C)c3ccccc3)CCOCC2)c1 1465088648 HUTLFGHDRFLRHG-LJQANCHMSA-N 455.580 2.228 30 10 JEEE CS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)N[C@@H]3CCc4cc(C#N)ccc43)CC2)c1 1478586792 FNFUBDPTFBOPSW-OAQYLSRUSA-N 452.536 2.117 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCCN1C[C@@H](C)C[C@@H](C)C1 1493265076 HDAVMSZNIQWODB-OYRHEFFESA-N 493.660 2.378 30 10 JEEE CCc1nn(C)c(OC)c1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](CC(N)=O)C1 1498536514 GIMMKZJEGXMQFY-GOSISDBHSA-N 492.584 2.173 30 10 JEEE CCC[C@](C)(O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1499957590 GHDQJYVRRXNEEC-OFVILXPXSA-N 465.602 2.364 30 10 JEEE CCCNC(=O)c1cccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(CC#N)CC2)c1 1501081766 FFUYWIKVIPOTCT-NRFANRHFSA-N 484.626 2.498 30 10 JEEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCNC(=O)OC(C)(C)C 1507612736 UMHNNZSLIMKPKF-UHFFFAOYSA-N 451.531 2.269 30 10 JEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC[S@@](=O)C(C)(C)C 1507617478 UQLZFOIGUVSJRQ-AZYRPFHASA-N 453.609 2.203 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCc1ccc(F)c(F)c1F)[C@H]1CCS(=O)(=O)C1 1507631649 FTIPULFUHJXJRT-CVEARBPZSA-N 468.501 2.069 30 10 JEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1C[C@]1(O)CCSC1)[C@@H]1CCS(=O)(=O)C1 1507634145 LGOMNHBQIQEUJF-WIYYLYMNSA-N 481.043 2.017 30 10 JEEE C#CCN(c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCn1cncn1)[C@@H]1CCS(=O)(=O)C1 1507639635 LNBSJCSZRLTAMG-HXUWFJFHSA-N 497.625 2.073 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCC(=O)N(C)C 1507667431 MNHCZQTXGQAZIQ-UHFFFAOYSA-N 459.554 2.006 30 10 JEEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1507753255 DJMLMELNMLUQDS-HKUYNNGSSA-N 457.604 2.284 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1CCCCN1CCN(CC)CC1 1507771524 DIIAPNCGRGBHQV-WRALFONMSA-N 458.651 2.412 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1507800811 YFEPKNFKEHYQDF-AOIWGVFYSA-N 456.595 2.380 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CC[C@](C)(CC)O2)CC1 1507901786 GAJQVZNWYSZHNW-IPJJNNNSSA-N 467.636 2.361 30 10 JEEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1507936382 DBAWANZQZACYEV-KRWDZBQOSA-N 463.546 2.289 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCC[C@H]1[C@@H]1CCCO1 1508142787 BISPFJYOPLWCAK-ROUUACIJSA-N 451.618 2.382 30 10 JEEE Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CCCCS2(=O)=O)cc1C 1511004493 ATZYMPKEBNQUCX-UXHICEINSA-N 459.572 2.170 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2CCNC(=O)c2ccco2)c1 1539043008 MHQWPLQGUWHJIT-LJQANCHMSA-N 476.537 2.251 30 10 JEEE C#CCN(CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC1([S@@](C)=O)CC1 1539376812 HWURFOUNEZLGRL-JGCGQSQUSA-N 454.644 2.013 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CC)C[C@@H]1COc2ccccc2O1 1539517381 MVJIYCNBGMCMDY-ZWKOTPCHSA-N 476.624 2.213 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCc1cnn(C)n1 1539540775 UFKKQUHWIDDKKZ-JOCHJYFZSA-N 453.572 2.102 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(OC(C)C)nc2)CC1 1539889985 GCYRPUWAUQVVGP-HXUWFJFHSA-N 490.630 2.244 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1540867745 GCYFZYGVSFCWAM-UHFFFAOYSA-N 466.502 2.202 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCC2(CCN(C)C2=O)CC1 1540899857 CKMKQBYKTKSLLU-UHFFFAOYSA-N 473.599 2.003 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1540900861 KLMWLVGIKVLARZ-UHFFFAOYSA-N 483.573 2.222 30 10 JEEE C=CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1540910205 AHLIECQSRCYCMZ-INIZCTEOSA-N 451.618 2.343 30 10 JEEE CCC[C@@H](C)C(=O)NCCn1c(-c2cccn2C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1546859061 HDUJCQQBPZKXQA-MOPGFXCFSA-N 490.616 2.213 30 10 JEEE CN(Cc1cscn1)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1554197147 FVMBQMSEMBIXHJ-KRWDZBQOSA-N 487.611 2.103 30 10 JEEE C[C@@H]1C[C@@H]2[C@H]([C@H](O)C[C@]3(C)[C@@H]2CC[C@@]3(O)C(=O)COC(=O)CCC(=O)O)[C@]2(C)C=CC(=O)C=C12 1565504197 IMBXEJJVJRTNOW-PWXCJTLYSA-N 474.550 2.219 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 1587562967 VURMGHRXUJDGPM-ULQDDVLXSA-N 480.635 2.136 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@](C)(O)[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1588041535 XJIQHFPHNOFMPX-YTZAWJCFSA-N 490.626 2.386 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1cn(CCCC)nc1C)[C@@H]1CCS(=O)(=O)C1 1588049827 LPTFVNHJCGWZHY-LJQANCHMSA-N 455.588 2.253 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCCN(C)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1588055603 YGPDBKBYYYLDSQ-OALUTQOASA-N 495.646 2.403 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H](c1cccs1)N(C)C)[C@H]1CCS(=O)(=O)C1 1588074199 KTFDJFOUFUZEJY-RCCFBDPRSA-N 463.629 2.121 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1Cc1cc2c(cc1OC)C[C@H](C)O2 1588574523 KYWPNGPOSBIGBV-KRWDZBQOSA-N 476.537 2.392 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3OCC)n2C[C@@H]2CCN(CC)C2)CC1 1588871792 QFKCHFGWELQWKN-OAQYLSRUSA-N 452.603 2.353 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)N2CCC[C@H](C)C2)CC1 1588884713 KYWKDXGZEYJZEA-PMACEKPBSA-N 492.628 2.012 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H]2CCN(CC)C2)CC1 1588946364 DCVKGISWYKVRDT-GOSISDBHSA-N 470.568 2.455 30 10 JEEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1589008419 VEXXVDVNNROLTB-LJQANCHMSA-N 487.651 2.306 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1589581717 VXXJOFURRUIAIZ-QRQLOZEOSA-N 453.609 2.019 30 10 JEEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2cc(F)cc(C)c2C1 1593747262 SWKNIYPFFDSHCP-OAQYLSRUSA-N 493.605 2.214 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCCS(=O)(=O)C1 1595132946 AUCVCRSRYYOQIE-LPHOPBHVSA-N 461.563 2.386 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1595562020 LLHGPJBNSZRPRV-GOSISDBHSA-N 455.563 2.012 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCSC[C@H]1C 1595658722 JEANNJIHHPQGSC-XLIONFOSSA-N 493.655 2.166 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCCN(c2cc(OC)cc(OC)c2)CC1 1595805825 VHTQEGNIUAGLFO-UHFFFAOYSA-N 463.604 2.175 30 10 JEEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1ccco1 1595883971 DXASRCSENLWHKP-AEFFLSMTSA-N 467.617 2.465 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1629918816 LGSKMNMGPVMKLH-NMLBUPMWSA-N 462.591 2.362 30 10 JEEE C=CCNC(=O)c1cccc(S(=O)(=O)N(C[C@H](O)CC(C)(C)C)C2CCN(C)CC2)c1 1661933293 GLBKFCLJTHWXBS-HXUWFJFHSA-N 451.633 2.484 30 10 JEEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC1(C(=O)NCC)CCC1 1689972670 XOZXFJBOYBXWIT-UHFFFAOYSA-N 463.630 2.019 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@H]1CCCCN1CC)[C@@H]1CCS(=O)(=O)C1 1689985833 CIOCRDSSBVVJDN-WOJBJXKFSA-N 471.627 2.455 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCc1ccccc1OC)[C@@H]1CCS(=O)(=O)C1 1689990892 SVNKCYWKRBUNMH-VQTJNVASSA-N 458.584 2.050 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1Cc1cc(C)on1)[C@H]1CCS(=O)(=O)C1 1689993061 UYBSAUKBOMLXTO-INIZCTEOSA-N 461.494 2.119 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1CC1CCN(C(=O)OC)CC1)[C@@H]1CCS(=O)(=O)C1 1689994050 PVFABXIKEULSQN-LJQANCHMSA-N 491.639 2.036 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(C(=O)NCC)CCC1 1690048903 SGZHTJKPWPTQDP-HXUWFJFHSA-N 498.628 2.356 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccncc1 1690088465 MDDZWAMPCQUAIR-KRWDZBQOSA-N 456.547 2.305 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC2(C)COC2)CC1 1690137464 ZSOLKIMEINDWSW-UHFFFAOYSA-N 464.570 2.150 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2Cc2cccc(C(=O)NCCC)c2)CC1 1690141736 BLWDMVNRLBBAHZ-UHFFFAOYSA-N 485.592 2.494 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCCN(C)c2ccccc2)CC1 1690143988 ILUPFDABSMSALY-JOCHJYFZSA-N 477.613 2.112 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H](c2ccccc2)N(C)C)CC1 1690154794 ZWOVHCXCYSKLOY-HJOGWXRNSA-N 494.640 2.271 30 10 JEEE C=C(Br)Cn1c(N2CC[C@H]3CCNC(=O)[C@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1690234335 APNNWVNRFMKYAQ-GUXCAODWSA-N 468.396 2.190 30 10 JEEE C=CC[C@@H](Cn1c(COCC)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1)c1ccccc1 1690447681 VFRCLDNEANMYHD-FQEVSTJZSA-N 466.586 2.102 30 10 JEEE C=CCCCn1c(Cc2ccccc2OC)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1690486594 NLKYIWRMQSXXRL-GOSISDBHSA-N 450.547 2.376 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC(CC(N)=O)CC1 1690661131 VKYCLFFMYMKUOA-SFHVURJKSA-N 454.575 2.429 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](c2cc3ccccc3[nH]2)C1 1690661160 WCZSJKPYCRVAFD-SJLPKXTDSA-N 485.614 2.056 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1690720614 NQTMWNUNNVARGD-QZTJIDSGSA-N 475.615 2.236 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cn(C)c3ccccc23)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1690722625 PTQWWHZHFUCTSR-IBGZPJMESA-N 484.626 2.342 30 10 JEEE CCCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)cc1 1695455052 BWNBHFDNNZJDLW-FOIQADDNSA-N 450.540 2.167 30 10 JEEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](CN2CCCC[C@H]2C)C1 1697022059 CDZVDKFMQZSDQV-CTNGQTDRSA-N 485.658 2.457 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(C(=O)N2CCCC2)n1CCc1nnc(C)s1 1698047231 BYMUEGFOGBCOAV-UHFFFAOYSA-N 480.598 2.441 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](C(C)C)N1CCOCC1 1705489934 ZLODBHDATIYQPJ-AZUAARDMSA-N 473.647 2.053 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2COc3ccccc3O2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1705494554 BXPUIKDZNBOKAH-CNNODRBYSA-N 466.586 2.191 30 10 JEEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H](C)CNC(=O)OC(C)(C)C 1705547324 DMYAFXLYWOVXFF-INIZCTEOSA-N 451.535 2.151 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H](C1CC1)N(C)C 1705596115 SOXAEMALWYLPDJ-JOCHJYFZSA-N 457.582 2.478 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CC[C@@](C)(CC)O1 1705624240 VCXDZIZDZGLPHI-NFBKMPQASA-N 450.547 2.355 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC(=O)NCc2ccco2)CC1 1705633487 RRWGZWURGLZRIZ-SFHVURJKSA-N 466.517 2.222 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC2CCS(=O)(=O)CC2)CC1 1705643212 WONWVTVFBNHERE-UHFFFAOYSA-N 478.018 2.091 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@@H]2CCCc3cccnc32)CC1 1705645665 ZSFMDCMQVCTOCU-KNQAVFIVSA-N 480.613 2.483 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CC(C)(C)N2C[C@H](C)O[C@H](C)C2)CC1 1705648770 YKAGJJYCKVTJHB-VWPQPMDRSA-N 486.661 2.373 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1705693854 LKMGUDAUSDJNJN-SBHAEUEKSA-N 468.606 2.293 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CC[C@H](N2CCCC2=O)C1 1705896276 HPLMJESGBNULMV-ZDUSSCGKSA-N 479.404 2.272 30 10 JEEE C=CCNC(=O)Cn1c(N2CCCN(Cc3ccc(F)cc3)CC2)nnc1[C@]1(OCC)CCOC1 1705908601 DZATXSIMLAYPPC-VWLOTQADSA-N 486.592 2.084 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](c2noc(C)n2)C1 1705911152 ZXPNHFAIBZUPRG-IBGZPJMESA-N 467.530 2.299 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCCC2(CC2)C1 1705931066 DNMZRBQKJWSFMG-UHFFFAOYSA-N 493.655 2.177 30 10 JEEE C=CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1705942465 TULKSGGUNBXZPJ-DLBZAZTESA-N 464.569 2.382 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ccccc1Cl 1706746992 HCAIJLMEIOFBFE-MAUKXSAKSA-N 482.994 2.082 30 10 JEEE CCS(=O)(=O)N(C)CCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@](C)(C#N)C1 1710887222 CFMFAOWRXQYSDJ-HSZRJFAPSA-N 484.630 2.318 30 10 JEEE CN(C)S(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2CCCCC2)CC1 1711019351 CRCRLNJWYYVCFB-UHFFFAOYSA-N 471.631 2.163 30 10 JEEE COc1ccc(Br)c(-c2nnc(N3CCC[C@](C)(C#N)C3)n2Cc2nnn(C)n2)c1 1711713428 BMICZJNSABLRLO-LJQANCHMSA-N 472.351 2.418 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCOC[C@@H]1CCOC1 1722294445 RIFRSWTUZZIYIA-MSOLQXFVSA-N 450.543 2.093 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@](C)(O)CCC)[C@H]1CCS(=O)(=O)C1 1722361744 JICPIIZZERKFGG-OXJNMPFZSA-N 451.980 2.171 30 10 JEEE C#CCN(c1nnc(COCC)n1C[C@](C)(O)c1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 1722371221 UXGVWDZEZYNBGK-RXVVDRJESA-N 466.991 2.002 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cn2ccsc2n1 1722383517 IPOOSXZUFZWTQD-SFHVURJKSA-N 481.582 2.417 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1722406551 ZXXJNTZYEHMQSZ-IBGZPJMESA-N 494.621 2.477 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(OC(C)(C)C)nc2)CC1 1722441497 RURWVKJFHGVQOL-UHFFFAOYSA-N 493.612 2.101 30 10 JEEE C=CCn1c(-c2cc(OC)ccc2Br)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1722683110 GAMWCHPBAHBDGM-UHFFFAOYSA-N 491.390 2.476 30 10 JEEE COC1CCN(C(C)(C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C)C(=O)[C@H]2C)CC1 1730375322 GAGBGKDXTCFHNM-LJQANCHMSA-N 495.628 2.285 30 10 JEEE C#CCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1740565531 CHQRJDJMQKTFLS-GOSISDBHSA-N 465.558 2.446 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@@H]1CCOC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1740625822 QINBLEMGRQSCQR-HJNYFJLDSA-N 456.612 2.477 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCCO[C@H]1C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1740627480 QSVLDIYFOLEKKY-MTQWCTHYSA-N 464.632 2.250 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccc(C#N)c3)n2Cc2ccn(C)n2)n1 1740687783 LHEQTPUULHAUER-UHFFFAOYSA-N 455.526 2.081 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H](C)c2c(C)noc2C)CC1 1740709488 HHUPOPVLPMXAOP-BUVFEPMLSA-N 484.601 2.376 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(CCOc2ccccc2)n1C[C@H]1CC(=O)N(CCOC)C1 1740734172 SIBYFIWIIFEGNX-NBGIEHNGSA-N 451.571 2.387 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1740778486 GOOCHCXJSBRFCS-OAQYLSRUSA-N 499.641 2.490 30 10 JEEE C=C(C)Cn1c(COc2ccc(OC)cc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1740785468 HCOGQBWSXKSUIR-UHFFFAOYSA-N 454.575 2.186 30 10 JEEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1740793837 MSWGQFSYYDSYBI-DHIUTWEWSA-N 495.672 2.483 30 10 JEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 1740868828 UCISOPVAYHGOHN-HNNXBMFYSA-N 464.592 2.155 30 10 JEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1740887157 DKIBICYNKJBNIT-ZWKOTPCHSA-N 483.635 2.219 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](C(F)F)C1 1740960580 VJRHJHIIKNQCFF-HZPDHXFCSA-N 484.548 2.370 30 10 JEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](c2cccc(F)c2)C1 1740963491 MJOJELCRHVHZNS-FQEVSTJZSA-N 453.522 2.159 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1740988071 SBBVHZXCSUBHFA-QZTJIDSGSA-N 461.544 2.317 30 10 JEEE CC(C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1741292968 HXUQQGAPFBIVNP-NRFANRHFSA-N 463.586 2.332 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1CCc1cccnc1)[C@H]1CCS(=O)(=O)C1 1748808701 GFYWXSHXEUEXNK-FQEVSTJZSA-N 481.578 2.227 30 10 JEEE C#CCN(c1nnc([C@H]2COc3ccccc3O2)n1CCCOC(C)C)[C@@H]1CCS(=O)(=O)C1 1748817141 FVQVFPNAALRILU-WIYYLYMNSA-N 474.583 2.232 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1nccs1 1748859431 SUPHINGTJKXGJX-QGZVFWFLSA-N 456.572 2.359 30 10 JEEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CN(CC(C)C)CCO1 1748901345 WTDAKGYZEZWXED-HXUWFJFHSA-N 468.627 2.089 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(C)(C)COC 1748963855 CHWKHBQNRANRRB-SFHVURJKSA-N 465.595 2.345 30 10 JEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2ccccc2Cl)C1 1749023507 UATHPVIDZOJGHF-QAPCUYQASA-N 484.047 2.486 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1749136631 PVJWFKJVAZGBOX-YLJYHZDGSA-N 498.550 2.277 30 10 JEEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1749234334 DTQKGNPMGHYKDH-NRFANRHFSA-N 457.623 2.422 30 10 JEEE C=C(Cl)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)[C@H](C)CS(=O)(=O)CC 1749264638 BDDBSSSWNQGMOB-CQSZACIVSA-N 475.040 2.250 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1749695543 DPOKKICLBHARCI-XLIONFOSSA-N 497.415 2.039 30 10 JEEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N(CCC#N)CC3CC3)n2Cc2cccc(Cl)c2)C1 1750209513 IBXKBPGNYMRYAU-LJQANCHMSA-N 479.006 2.443 30 10 JEEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC(F)(F)F)C[C@]2(CCCOC2)O1 1752318275 HIXVXDOXJHIZDQ-BTYIYWSLSA-N 478.475 2.270 30 10 JEEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1CCNc1nccc(C(F)(F)F)n1 1760232669 KILLHJMRTPROSQ-UHFFFAOYSA-N 462.436 2.386 30 10 JEEE C#CCN(CC)c1nnc(Cn2nc(C)cc2C)n1CCOc1ccc(S(C)(=O)=O)cc1 1760237417 IVGUCQVZKJDYGC-UHFFFAOYSA-N 456.572 2.082 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)s3)n2CCN2CCOC[C@H]2C)CC1 1760255987 RAOLYCQIAZXFPE-MRXNPFEDSA-N 479.448 2.245 30 10 JEEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2CCCN2C[C@H](C)O[C@H](C)C2)CC1 1760260730 DFQBJCUDOQUWBH-ZRZAMGCNSA-N 466.630 2.420 30 10 JEEE C=C(Br)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1760310378 CSBLIGKNKATBJI-ZBFHGGJFSA-N 495.447 2.335 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 1760313791 QHOYEMMYIJWNEE-SIKLNZKXSA-N 484.576 2.385 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC=C(Br)C1 1760315811 JESHLVUHHZQERS-DZKIICNBSA-N 474.425 2.358 30 10 JEEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 1760355886 ZMNYIOKWSJKTAM-UHFFFAOYSA-N 480.548 2.228 30 10 JEEE C=C(C)COCCn1c([C@H]2CCCO2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1760361364 XKUMYCBJOXURAK-QZTJIDSGSA-N 451.568 2.452 30 10 JEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 1760432809 MXNOHPXFFHPMAI-HOTGVXAUSA-N 456.613 2.206 30 10 JEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(N(C)C)cc1)C1CC1 1760476640 AYBSIJPNOMVYEP-OAQYLSRUSA-N 474.631 2.075 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@](O)(c1ccccc1)C(F)(F)F 1760505403 SUMYXPYWNXUVQO-JXFKEZNVSA-N 488.532 2.269 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1760517892 BKCDLINVBHVFCP-UHFFFAOYSA-N 483.935 2.397 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 1760525981 ZJZUGVXGWVBSEQ-UHFFFAOYSA-N 479.972 2.068 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1760551887 VQKDPTGKBFFTKO-MSOLQXFVSA-N 494.017 2.455 30 10 JEEE C[C@H](C#N)CN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCC(=O)NC(C)(C)C 1760690876 GVWNIHZERKOEBH-OAHLLOKOSA-N 450.547 2.093 30 10 JEEE CCC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(c3cc(C#N)ccn3)CC2)CCC1 1762513660 HMSFIQVVTHHUDX-QGZVFWFLSA-N 472.619 2.062 30 10 JEEE CCCNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCOC2=O)C1 1766186879 GXEBBXOITVOLAD-FQEVSTJZSA-N 465.558 2.402 30 10 JEEE CN(C[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCOC2)C1)S(C)(=O)=O 1767224662 FKJJEDCNDIPQTG-UXHICEINSA-N 472.615 2.351 30 10 JEEE CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N(C)Cc1c(C)nn(C)c1C 1768258516 FSIKZETUTQEWDI-UHFFFAOYSA-N 471.587 2.150 30 10 JEEE Cn1ncc(CCCn2c(CNC(=O)c3cccs3)nnc2N2CCC[C@@](C)(C#N)C2)n1 1769079401 DPTCPSOVOMCNCP-NRFANRHFSA-N 453.576 2.161 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1772660542 KIYDEQQTMWLRHI-UHFFFAOYSA-N 496.593 2.088 30 10 JEEE COCCN1CC(=O)C(c2nc(C)cs2)=C1NC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] 1873710775 UDRIQALWEUMNRP-UHFFFAOYSA-N 462.484 2.007 30 10 JEEE CC(=O)Nc1ccc(Br)cc1C(=O)N1CCC(OCC#CCN2CCN(C)CC2)CC1 1889570654 UCFGMPFFXKPPOC-UHFFFAOYSA-N 491.430 2.280 30 10 JEEE Cc1nc(I)c(I)n1C[C@](N)(C#N)C1(C)CC1 2018296601 HTUVNLJQWWHZNU-LLVKDONJSA-N 456.069 2.422 30 10 JEEE C=CCC[C@H](N)C(=O)Nc1c(I)nc(C)nc1I 2058123676 XRYPCKLHFXQIBY-ZETCQYMHSA-N 472.068 2.226 30 10 JEEE CN(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2180985965 VWICOHYOYONABG-LJQANCHMSA-N 461.412 2.099 30 10 JEEE COc1ccc(NS(=O)(=O)CCN2C(=O)c3ccccc3C2=O)c(B2OC(C)(C)C(C)(C)O2)c1 2221623347 PLFZQJNNHXCGSQ-UHFFFAOYSA-N 486.355 2.032 30 10 JEEE Cn1nncc1C1(Oc2ncccc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2241074557 BLURASVEUUPFCN-UHFFFAOYSA-N 457.340 2.034 30 10 JEEE CC1(C)OB(c2csc(S(=O)(=O)NC3[C@@H]4CN(Cc5ccccc5)C[C@@H]34)c2)OC1(C)C 2255750188 GFMIDVPXKYBYQC-QZTJIDSGSA-N 460.430 2.456 30 10 JEEE CO[C@H]1CN(C(=O)c2csc(B3OC(C)(C)C(C)(C)O3)c2)C[C@H]1NC(=O)OC(C)(C)C 2255844703 ASKHSUCSEWIYBT-CABCVRRESA-N 452.382 2.411 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CC[S@](=O)(=NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)C1 2255851221 NLDKIRQAPJYYNY-CQMWEUJXSA-N 454.354 2.484 30 10 JEEE CC(C)(C)OC(=O)NC1(CO)CCN(C(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)CC1 2267291484 QWAZCOCZCBAWKH-UHFFFAOYSA-N 450.341 2.071 30 10 JEEE CO[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)N(C(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)C1 2281797180 QYGLFBUMQFLFKD-JKSUJKDBSA-N 461.368 2.135 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)(C(F)(F)F)C1 2281928994 UNKNMVKCBIXFEM-IBGZPJMESA-N 474.289 2.381 30 10 JEEE CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H]2CNC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2281980268 SUVGOLCRARRRLO-OAHLLOKOSA-N 460.384 2.476 30 10 JEEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CCNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2282025116 KNUDJRJMSBHOGO-HZPDHXFCSA-N 460.384 2.399 30 10 JEEE Cn1cc(C(=O)NC2([C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)nc1B1OC(C)(C)C(C)(C)O1 2282032893 LRQDZPLJROIYTB-HNNXBMFYSA-N 460.384 2.239 30 10 JEEE CC(C)(C)OC(=O)N1[C@@H](CNC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)COC1(C)C 2282190805 SOHSKOIEMGTZTJ-HNNXBMFYSA-N 461.368 2.483 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@](O)(CNC(=O)c2cccc(F)c2B2OC(C)(C)C(C)(C)O2)C1 2282412686 SYXOLLHLBZEROX-HSZRJFAPSA-N 464.343 2.227 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C 2282581701 LHQIEUNBVLTMRH-HZPDHXFCSA-N 462.400 2.435 30 10 JEEE C[C@@H]1CCCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)[C@H]1CNC(=O)OC(C)(C)C 2282626440 BOSXVVJDHRDNFY-WBVHZDCISA-N 462.400 2.485 30 10 JEEE Cn1cnc(C(=O)N2C[C@@H](C3CCN(c4ccc(C#N)c(C(F)(F)F)c4)CC3)[C@@H](C(N)=O)C2)c1 2297650653 QIVRWYBAVSJTNG-ROUUACIJSA-N 474.487 2.401 30 10 JEEE CC(=O)O[C@@H]1[C@H](c2ccc(=O)oc2)[C@@]2(C)CC[C@H]3[C@@H](CC[C@@]4(O)C[C@@H](O)CC[C@]34C=O)[C@@]23O[C@@H]13 2333324414 RDQNOOHJEOAAIW-NVACSEKUSA-N 472.534 2.094 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CS(C)(=O)=O)C(=O)N1CC[C@@H]2C[C@]2(B2OC(C)(C)C(C)(C)O2)C1 2335392053 FPGGEHZMKCDZAP-WIEQDCTASA-N 472.413 2.009 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@H]1CNC(=O)c1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1O 2339425957 KXOGQZALIUQYPO-LRDDRELGSA-N 450.316 2.474 30 10 JEEE CCn1cc(C(=O)NC[C@H]2[C@@H]3C[C@@H]3CN2C(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2359268583 XDIUIMKMBXPJEN-INMHGKMJSA-N 460.384 2.187 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H](NC(=O)OC(C)(C)C)CC(C)(C)C1 2362354319 SINCMNNAKVOHRE-OAHLLOKOSA-N 462.400 2.485 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC2CC1(CNC(=O)OC(C)(C)C)C2 2366059648 KUFGLOGAZRGQNO-UHFFFAOYSA-N 460.384 2.239 30 10 JEEE C=C(C)CN1C(=O)COc2ccc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)cc21 12234133 SSGKETQVRWORGS-UHFFFAOYSA-N 471.535 2.261 30 10 JEEE Cc1c(/C=C2\SC(=S)N(Cc3ccco3)C2=O)c(N2CCN(C)CC2)n(C)c(=O)c1C#N 33386071 IBRYKHGGUPFYHT-WQRHYEAKSA-N 469.592 2.312 30 10 JEEE O=C(COC(=O)/C=C\c1nc2ccccc2o1)Nc1cccc(S(=O)(=O)/N=C2\CCCN2)c1 97996686 QSXHSMQEOZHQEW-KHPPLWFESA-N 468.491 2.494 30 10 JEEE O=C1C(=O)N(CCCN2CCOCC2)[C@H](c2ccc([N+](=O)[O-])cc2)/C1=C(/O)c1ccncc1 103103409 JVMNDSLNAWVRJN-GOBJLOIFSA-N 452.467 2.134 30 10 JEEE COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCN(C)C)cc1O 170111778 JQYNZTWNYXMBQE-OAQYLSRUSA-N 454.479 2.312 30 10 JEEE C=CCc1cc([N+](=O)[O-])ccc1OCC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 513552336 ATKFBALAVJUQJG-UHFFFAOYSA-N 463.487 2.374 30 10 JEEE C=CCN(C)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(C)c(OCC(=O)O)c2C)cc1 522398897 SLQPVCOYQUSKOE-UHFFFAOYSA-N 468.553 2.374 30 10 JEEE CCOCCCn1c(=C(C#N)C(=O)N[C@@H]2CCCC[C@H]2C)sc(=Cc2cnn3ccccc23)c1=O 729671703 VWIMLGFPRSASMU-WIYYLYMNSA-N 493.633 2.182 30 10 JEEE C=CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCN(CC(=O)O)C(=O)C1 757454180 GULVDMMDFVZREQ-JOCHJYFZSA-N 477.517 2.225 30 10 JEEE CCc1nnc(NC(=O)CSc2n[nH]c(NN=Cc3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2)s1 1084128562 SZBBVMMAEOPVRY-UHFFFAOYSA-N 478.476 2.212 30 10 JEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2cc(S(=O)(=O)CC)ccc2F)c1 1125488687 AFSDSOMNJTUUHI-UHFFFAOYSA-N 458.511 2.106 30 10 JEEE C#CCNS(=O)(=O)c1cccc(C(=O)N(C)Cc2cc3c(cc2OC(F)F)OCO3)c1 1136914301 ROXOIROBIAUJQH-UHFFFAOYSA-N 452.435 2.200 30 10 JEEE C[C@@H]1CN(Cc2ccccc2)C[C@H]1CNC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 1151209164 CNYAONHMZUMDFU-QWFCFKBJSA-N 454.596 2.388 30 10 JEEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)OCc2ccccc2)CC1 1286322727 DLYWFVBUIMLBEA-FQEVSTJZSA-N 450.543 2.492 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C)COc2ccccc2OC)CC1 1286469934 OVRZHQIHJJWCOU-HXUWFJFHSA-N 489.580 2.404 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCCC[C@H](SC)C1 1286782614 ZZUGXTKBLLLGHC-KRWDZBQOSA-N 463.629 2.373 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCO[C@H](COC(C)C)C1 1286787622 XMMLLFIVSVMHGR-NRFANRHFSA-N 465.558 2.063 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1286796892 PJOYQLWUZQHWPN-LJQANCHMSA-N 475.615 2.433 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1286821647 RDULAVIOGOTOSB-OAQYLSRUSA-N 494.061 2.424 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccc(OC(F)(F)F)cc1 1288825487 GHMSMLFEQMLVOP-SJCJKPOMSA-N 476.456 2.277 30 10 JEEE C[C@@H](Cc1cc(Br)ccc1F)NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1295171846 AXIHNNRKBCQFGX-LBPRGKRZSA-N 454.321 2.486 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1300268561 RZZPSUBYCVGBSQ-JKSUJKDBSA-N 465.480 2.037 30 10 JEEE C#CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCS(=O)(=O)CC1 1300409024 FBEQFNDQIACTHI-UHFFFAOYSA-N 451.593 2.041 30 10 JEEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCN1CCCO[C@H](C)C1 1300456215 XXYNLZKWBNGORM-LJQANCHMSA-N 463.586 2.245 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1C[C@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C 1300649155 LJIZPWJXUYGOPO-ROUUACIJSA-N 462.595 2.148 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCOC[C@H]1OC 1300789186 BCHKIGYYIXBQIE-JXHRLWIKSA-N 458.584 2.392 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)nnc1C(C)(C)C 1300896720 IXFRQAKLALQORW-AQNXPRMDSA-N 481.663 2.188 30 10 JEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)CC2CCCCC2)CC1 1300992363 XAGJLMRWODYYPP-HXUWFJFHSA-N 458.607 2.441 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCN(Cc2cc(C)no2)CC1 1301514653 KYYVOWAURRIBBG-UHFFFAOYSA-N 485.976 2.431 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@H](OC)C(C)(C)C1 1301529181 IBQIBCWJVMLKOD-APWZRJJASA-N 463.604 2.363 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1301588768 JDHZZAYQUKKATL-CVEARBPZSA-N 465.542 2.193 30 10 JEEE CC(=O)N1CCCN([C@H]2CN(c3nnc(CC(C)C)n3Cc3ccc(C#N)o3)C[C@H]2C)CC1 1301709386 USHNWFQVOMRWHB-GCJKJVERSA-N 453.591 2.368 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCCC(C)(C)C 1303861003 CXRXRLHTUVMXHG-SJORKVTESA-N 489.650 2.091 30 10 JEEE COc1ccc(OCCn2c(C(=O)NC(C)C)nnc2N2CCN(c3ccc(C#N)cn3)CC2)cc1 1315538688 DMLGSUWSEWEFDD-UHFFFAOYSA-N 490.568 2.097 30 10 JEEE N#C[C@H]1CN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCC(=O)N2CCOCC2)CCO1 1316538079 GSVRTFBONMZMDX-HNNXBMFYSA-N 465.341 2.230 30 10 JEEE C=C(C)CCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCN(CC)CC1 1348582186 HOKZVHIXGHYKAX-UHFFFAOYSA-N 450.605 2.144 30 10 JEEE CN(CCNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)Cc1ccc(F)cc1 1355259786 HENXBPWKMLKLDX-UHFFFAOYSA-N 458.559 2.346 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C 1358890230 MOGAWNUKSGZFHJ-ULQDDVLXSA-N 453.609 2.187 30 10 JEEE C#CCCCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1358915163 ULXORKGNBRLHCC-KRWDZBQOSA-N 450.634 2.203 30 10 JEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H](C)CN1CCCCC1 1358941369 HQJNMTVZXDPFSN-LJQANCHMSA-N 458.632 2.387 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCOCC)[C@H]1CCS(=O)(=O)C1 1358956118 AOVAZOMPDSUASX-AEFFLSMTSA-N 450.536 2.220 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccc(F)cn1)[C@H]1CCS(=O)(=O)C1 1358956888 LZYOIZSOEMQOCP-INIZCTEOSA-N 493.362 2.245 30 10 JEEE C#CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC(=C)Cl)[C@@H]1CCS(=O)(=O)C1 1358967096 DIHILRXFTWLGQZ-IXDOHACOSA-N 484.022 2.428 30 10 JEEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1CCc1ccc(OC)c(OC)c1Cl 1358981319 FMYNHQHETMIULM-UHFFFAOYSA-N 455.946 2.387 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC1(N(C)C)CCOCC1 1359018669 YHWNBPYDQWSTFO-UHFFFAOYSA-N 468.602 2.344 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H]2CCCSC2)CC1 1359036432 WMCZTCKCJNMHQY-WOJBJXKFSA-N 490.674 2.485 30 10 JEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](COc2ccccc2)C1 1359126268 KSYWOLKQMHVZMB-NRFANRHFSA-N 455.559 2.391 30 10 JEEE C=CC1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC[C@H]2COCCO2)CC1 1359175330 IAPXRNZWYWCFOU-FQEVSTJZSA-N 475.615 2.403 30 10 JEEE C=CCC(C)(C)Cn1c(N2CCC[C@H](n3cnc(C(N)=O)n3)C2)nnc1[C@]1(OC(C)C)CCOC1 1359192256 AGHISRWYIHTMLJ-UUOWRZLLSA-N 486.621 2.453 30 10 JEEE C=CCCOCCn1c(-c2cccn2C)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1359224845 FAEGDIFOUGBRCB-OFNKIYASSA-N 469.634 2.255 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@]1(O)CCSC1 1359262114 IEGQFCHGGFQNEX-KDOFPFPSSA-N 457.647 2.010 30 10 JEEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1359303799 BDYOAZJBHFCDJW-IBGZPJMESA-N 454.575 2.161 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CC(C)(C)C(=O)NCC)C1 1359318702 KLPNAQWPXHXTGT-KRWDZBQOSA-N 489.646 2.182 30 10 JEEE C=CCNS(=O)(=O)c1cccc(C(=O)Nc2cccc(CN3CCN(C(C)=O)CC3)c2)c1 1447804943 APXMLNCDQKSSGO-UHFFFAOYSA-N 456.568 2.067 30 10 JEEE C=CCN1CC[C@H](N(C)C(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)C1=O 1467531488 GYFMWZKBXVYUFM-IBGZPJMESA-N 458.496 2.255 30 10 JEEE C=CCN(CCOC)C(=O)c1cc(Br)cn(CCNC(=O)OC(C)(C)C)c1=O 1467680446 DSBPSZDORZSISE-UHFFFAOYSA-N 458.353 2.410 30 10 JEEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1ccc2c(c1)CC(=O)N2C 1472355374 IBXUPAOPSUBOQU-GOSISDBHSA-N 454.552 2.119 30 10 JEEE N#Cc1ccc(S(=O)(=O)NCCn2cc(Br)ccc2=O)cc1C(F)(F)F 1475339738 DFSYBAQWZDCJFU-UHFFFAOYSA-N 450.236 2.480 30 10 JEEE COCCN1C[C@@H](Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CC[C@](F)(C#N)C2)CC1=O 1504897645 DDALPKBCFQKQJF-UUOWRZLLSA-N 483.548 2.084 30 10 JEEE N#Cc1ccc(OCc2nnc(N3CCO[C@H](C(F)(F)F)C3)n2C[C@@H]2CCCS(=O)(=O)C2)cc1 1505319708 IBQORLNNWLYMOA-WMZOPIPTSA-N 499.515 2.321 30 10 JEEE C#CCCCn1c(COc2ccc(C)cc2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1507594155 DJCGDJSJPPJNKL-OAQYLSRUSA-N 450.543 2.346 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1CCC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1507628215 VVPQEVXWFGQFQG-KRWDZBQOSA-N 495.552 2.088 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1cccc(CN(C)C)c1)[C@H]1CCS(=O)(=O)C1 1507634230 XRARCXBVXYVVLD-VXKWHMMOSA-N 471.627 2.256 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CCCOC1)[C@H]1CCS(=O)(=O)C1 1507639188 WLLKIXRFJJXNAP-IYWMVGAKSA-N 464.632 2.250 30 10 JEEE C#CCN(CC#C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCN/C(O)=C1\N=CC=CC1=O 1507643402 VFOVYMRTDWYPLR-BIBRTQAFSA-N 462.485 2.156 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@H]1CCCCS1(=O)=O 1507661609 BBLMJBGAIWNXTF-LJQANCHMSA-N 486.594 2.401 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCCN2CCCC[C@H]2C)CC1 1507740488 AMAVCASSAKTCCN-PUHATCMVSA-N 486.661 2.232 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1507744050 NIRVDVRDWPLWML-UHFFFAOYSA-N 479.541 2.284 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C 1507763570 CZTLZNHNEKCOGS-HYFFOGBASA-N 480.635 2.280 30 10 JEEE C=C(Br)Cn1c(N2CCC[C@H](S(C)(=O)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1507793118 NWKKDTISMRFWIP-MAUKXSAKSA-N 477.425 2.241 30 10 JEEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1507853072 GOUGSSHWAJVNMH-CQSZACIVSA-N 484.413 2.492 30 10 JEEE C=C1CCN(c2nnc(-c3ccccc3OC)n2CCS(=O)(=O)N2CCSCC2)CC1 1507880291 YBFFOFPBOAWRFA-UHFFFAOYSA-N 463.629 2.489 30 10 JEEE C=CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1507926581 UKILVVICQFJPJX-UHFFFAOYSA-N 457.966 2.277 30 10 JEEE Cc1cc(N2CCN(c3nnc(-c4cccc(C#N)c4)n3CC(=O)N(C)C)CC2)nc(C(C)C)n1 1510674252 BPTIBODXOWTECD-UHFFFAOYSA-N 473.585 2.453 30 10 JEEE COc1cc(Cl)ccc1-c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CC(=O)N(C)C 1518021150 GCFCYGSDBDOMLI-HNNXBMFYSA-N 495.975 2.072 30 10 JEEE COc1ccc(-c2nnc(N3CCC(C#N)CC3)n2CCS(=O)(=O)NC(C)C)cc1OC 1518121306 GGFRFONKUSGOJP-UHFFFAOYSA-N 462.576 2.030 30 10 JEEE COC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1)OC 1518719477 CSAYNYDCCKONKP-CTNGQTDRSA-N 454.575 2.467 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1cc(C(C)(C)C)no1)[C@@H]1CCS(=O)(=O)C1 1539220453 JMOZEHMXKVSMIQ-DLBZAZTESA-N 461.588 2.133 30 10 JEEE C#CCSCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(C(=O)OC)CC1 1539497597 MKBDNIWCJDVQCX-UHFFFAOYSA-N 475.571 2.226 30 10 JEEE C#CCSCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1539498317 SAIMEENRBBQEGJ-AEFFLSMTSA-N 458.563 2.480 30 10 JEEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)Cc2ccccc2C)CC1 1539512557 FCFQDNRETMEXAF-UHFFFAOYSA-N 463.611 2.245 30 10 JEEE C=C(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1539685227 XAAFXRMDOMAZOS-INIZCTEOSA-N 456.522 2.061 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1539915522 BRQZSYXHQXWYBC-RTBURBONSA-N 451.637 2.084 30 10 JEEE C=CCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1539983011 UKULOEPGEWUZGQ-DOTOQJQBSA-N 458.950 2.185 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(CCc2ccccc2)CC1 1540900736 GDIUOYDAWXQWST-UHFFFAOYSA-N 466.611 2.306 30 10 JEEE C[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1544157105 GYTAYFZABIUJLJ-PKOBYXMFSA-N 458.588 2.247 30 10 JEEE C[C@@H]1CN(c2ccc(Cn3c(C(=O)Nc4ccccn4)nnc3N(C)[C@H](C)CC#N)cn2)CCO1 1544582099 GALKFEKKESAXNE-QZTJIDSGSA-N 475.557 2.332 30 10 JEEE CNC(=O)[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CCN1S(=O)(=O)c1ccccc1 1548369147 CXDMLSHIUXVZJD-SFHVURJKSA-N 452.458 2.203 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2CC(C)(C)SC)c1 1587683301 GVFBZEJMQBDTOJ-HNNXBMFYSA-N 478.644 2.086 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cn3nc(C)cc3C)n2CCC(=O)NC(C)C)c1 1587697463 QFAGLZHKJLNJCB-UHFFFAOYSA-N 476.585 2.111 30 10 JEEE C#CCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(Cc2nc(COC)no2)CC1 1587739782 ZTAGUMMKNUDJBA-UHFFFAOYSA-N 460.542 2.472 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2ccccc2Cl)C1 1587861495 MTYWJOIYBYHIGY-VQTJNVASSA-N 494.017 2.256 30 10 JEEE C#CCCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1587865016 GGIVCOREIGOVDX-UHFFFAOYSA-N 465.508 2.381 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CCCCS1)[C@H]1CCS(=O)(=O)C1 1588034512 HNHOHLVSPPVHFM-JQVVWYNYSA-N 482.672 2.231 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(O)(CC)CC 1588647026 QKKRCLGTEFUHKM-SFHVURJKSA-N 465.595 2.224 30 10 JEEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1CSCCS1 1588647874 ZLCQHEQWBJFRIP-IBGZPJMESA-N 473.672 2.387 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCCCC2(F)F)CC1 1588884533 DEPMEZWSCFBYCY-KRWDZBQOSA-N 450.534 2.208 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCCO2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1589529166 LPJGLLMPUCMNSO-AQNXPRMDSA-N 467.636 2.267 30 10 JEEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1593636369 JTBKFMHSNMQWEE-RTBURBONSA-N 457.579 2.339 30 10 JEEE C=CCCOCCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1594830308 VUKZTIBOMKAOLK-QTDGGUCWSA-N 450.580 2.369 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(C)Cc3ccccc3C2)C1 1595674454 PUORCXGUOXNZMA-XLIONFOSSA-N 459.616 2.475 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](c2cccc(C)c2)C1 1595796982 CYYFLQBOWAJTEO-PMACEKPBSA-N 478.640 2.083 30 10 JEEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](N2CCOCC2)C(F)(F)F)CCO1 1612914347 BWIPFGXAXVJRQJ-CRAIPNDOSA-N 450.465 2.305 30 10 JEEE CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C(=O)NC2CCCCC2)CC1 1617619453 HOUTYVGHAVESCU-UHFFFAOYSA-N 493.612 2.482 30 10 JEEE CSCc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@H](C)CC#N)cc1 1620247768 HHBJCELZOVZGDW-APWZRJJASA-N 478.644 2.261 30 10 JEEE C#CCN1CCC(C(=O)N[C@H](CC(=O)OC)c2cccc(I)c2)CC1 1624532691 GQZRNOFHNNHFKG-QGZVFWFLSA-N 454.308 2.357 30 10 JEEE C=CCOc1ccc(CNC(=O)N2CCN(S(=O)(=O)c3c[nH]c4ncccc34)CC2)cc1 1635152540 SIFBEFPBYIKDCJ-UHFFFAOYSA-N 455.540 2.344 30 10 JEEE C#C[C@H](NC(=O)c1ccc(S(=O)(=O)NCCOC)cc1)c1ccc(Br)cc1 1637659253 UQVOJXGVWOYKPT-SFHVURJKSA-N 451.342 2.478 30 10 JEEE C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H](CC(N)=O)NC(=O)OCC1c2ccccc2-c2ccccc21 1639557499 FFSYSPRZAAPDHE-GMWOSMDTSA-N 463.534 2.476 30 10 JEEE N#Cc1cc(S(=O)(=O)NCCS(=O)(=O)CCc2ccccc2)ccc1Br 1663583082 HZEJXFLOXKGEDW-UHFFFAOYSA-N 457.371 2.257 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1CC1(O)CCS(=O)(=O)CC1 1689831715 QBMNDJAIKANQJC-CQSZACIVSA-N 467.389 2.105 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1Cc1ccc(N(C)C)nc1)[C@H]1CCS(=O)(=O)C1 1689991581 ABOORQQUYYWORO-NRFANRHFSA-N 482.585 2.144 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCOc2ccc(F)c(F)c2)CC1 1690113206 CPVLFUQVKHPRJU-QHCPKHFHSA-N 461.513 2.043 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@H]2CN(CC(C)C)CCO2)CC1 1690114838 IYPOWCQQIMUPFG-HSZRJFAPSA-N 452.603 2.066 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2c(Cl)cccc2OC)C1 1690686470 OSYYXZCQDASLNX-GJZGRUSLSA-N 469.995 2.380 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC2(O)CCS(=O)(=O)CC2)C1 1690707230 QZRHHTANUCHXTK-IBGZPJMESA-N 481.018 2.243 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1690724952 ZGVTXUIRILFACJ-FQEVSTJZSA-N 491.589 2.222 30 10 JEEE COc1ccc(CCc2nnc(N3CCN(c4nccnc4C#N)C[C@H]3C)n2C[C@H](C)N(C)C)cc1 1697407038 BULLSLGMQWAZCI-VQTJNVASSA-N 489.628 2.399 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)cc1OCCOCC 1705494912 IBACHPVIQMSBDA-AZUAARDMSA-N 460.600 2.410 30 10 JEEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2c(F)cccc2Cl)CC1 1705533173 JSPDXRVSFRPTTF-QGZVFWFLSA-N 458.925 2.398 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCc1nccc(C(F)(F)F)n1 1705576306 JIKNCLBKXFPNBB-UHFFFAOYSA-N 488.495 2.473 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1705633176 LEXKFNPMIUXZFX-MOPGFXCFSA-N 475.590 2.137 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H]2CCCCO2)CC1 1705643640 NMVLVCXHDDEAKA-ZCNNSNEGSA-N 458.607 2.373 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2cccc(CN(C)CC)c2)CC1 1705643943 VYCUGPKPGQLHGZ-ZEQRLZLVSA-N 466.630 2.257 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[C@@H](C)c2ccc(OC)cc2)CC1 1705648272 VAUUAISNCVWQST-GCJKJVERSA-N 478.597 2.397 30 10 JEEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)CCS(=O)(=O)CC 1705655175 GOSSYWLWZBEBOJ-UHFFFAOYSA-N 460.423 2.273 30 10 JEEE C=C(C)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1705727902 HRZFQWFHRZWKRI-UHFFFAOYSA-N 461.570 2.469 30 10 JEEE C=C(C)COCCn1c(-c2ccccc2OC)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1705732937 KJAMMQFFHDDPSF-OAQYLSRUSA-N 468.602 2.289 30 10 JEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 1705739667 MSKDDWTXJSARQW-UHFFFAOYSA-N 458.607 2.365 30 10 JEEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1705907232 FHQHACJWTYWUHI-UHFFFAOYSA-N 487.626 2.140 30 10 JEEE C=CCNC(=O)Cn1c(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1705908642 GDXIXNCZZHZARZ-HOYKHHGWSA-N 492.621 2.067 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(Cc2ccc(OC)c(F)c2)CC1 1705934181 DFMFIOMIHDMDCO-UHFFFAOYSA-N 463.579 2.226 30 10 JEEE COc1ccc(Cn2c(-c3cccc(C)n3)nnc2N2CCO[C@@H](C#N)C2)c(OC)c1OC 1711842759 FTRNOAHDAWBIGT-KRWDZBQOSA-N 450.499 2.451 30 10 JEEE COCC[C@](C)(O)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCO[C@H](C#N)C1 1712320050 CGIBDLYHKPJGPK-QRWLVFNGSA-N 480.363 2.232 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2CC(C)(C)C(=O)NCC)c1 1722309907 QYSCAVLRZBFBMG-LJQANCHMSA-N 466.586 2.391 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCc1c[nH]nc1C)[C@H]1CCS(=O)(=O)C1 1722358418 BKGGZMOAFZIJOB-FQEVSTJZSA-N 483.554 2.144 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CCc1ccn(C)n1)[C@@H]1CCS(=O)(=O)C1 1722358520 CJBKGPXPMKKMPP-OAQYLSRUSA-N 452.584 2.110 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCCN1C[C@@H](C)C[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1722361849 QLKUEJRZAKVWDH-HSALFYBXSA-N 458.632 2.268 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC(C)(C)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 1722369088 VMRYLFXBIQSSRN-PMACEKPBSA-N 463.648 2.411 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCO[C@H]1C(C)C 1722374709 CHGBCPLDETVAQU-UNMCSNQZSA-N 469.611 2.329 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCn2ccnc21 1722426277 FWFCHBUZYHKXOG-UXHICEINSA-N 499.616 2.447 30 10 JEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(OCC(F)(F)F)nc2)CC1 1722440545 KDPHIVZDTXVZNT-UHFFFAOYSA-N 488.518 2.279 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCN(C)CC(F)(F)F)CC1 1722443411 SNBOKVFXYZSODX-UHFFFAOYSA-N 483.926 2.453 30 10 JEEE C=C(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1722523209 HCVAYYLXUMEUJW-KRWDZBQOSA-N 482.651 2.439 30 10 JEEE C=C(Cl)Cn1c(N2C[C@H](C)[C@@H](N3CCN(C(C)=O)CC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1722556570 CHAQMRGLUQDCQO-NYDSKATKSA-N 481.041 2.060 30 10 JEEE C=CC1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@]2(O)CCSC2)CC1 1722577027 ZRSXYWSRXPCGKQ-QFIPXVFZSA-N 477.656 2.466 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCn2nc(C)nc2C1)C(C)C 1722667079 UCRBBPVPSYNSPS-HXUWFJFHSA-N 450.595 2.297 30 10 JEEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCCN1CC 1722679512 CXFWIBGNOQBHQS-SFHVURJKSA-N 451.575 2.315 30 10 JEEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@H](c2nccs2)C1 1722683246 IIJTXFIKIFJOBU-KRWDZBQOSA-N 460.585 2.416 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1722728797 YIGFIXCIGKIIEK-UHFFFAOYSA-N 464.636 2.264 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCN(CC2CC2)CC1 1722729570 OZECXOJVZXTANC-UHFFFAOYSA-N 465.570 2.280 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCC=C(Br)C2)nnc1[C@@]1(OC(C)C)CCOC1 1722731242 HTIHCRNOOYSFJR-LJQANCHMSA-N 489.436 2.408 30 10 JEEE CC(=O)N1CC[C@H](CN(C)c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCCCC2=O)C1 1722758807 BKXAATHANXCSOY-JOCHJYFZSA-N 493.612 2.436 30 10 JEEE CC[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N)c1ccccc1 1727266603 HOFBHWXHEJSRDN-GGPKGHCWSA-N 460.604 2.401 30 10 JEEE CCO[C@@]1(c2nnc(N3CCC(C#N)CC3)n2CCNC(=O)c2ccc(C)cc2)CCOC1 1728778073 FADMLSZNXGTYRV-DEOSSOPVSA-N 452.559 2.409 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1CCCCOCC)[C@@H]1CCS(=O)(=O)C1 1740618725 BCUIBQLOCFBICS-GOSISDBHSA-N 460.556 2.117 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H]1CCCO[C@@H]1C(C)C)[C@H]1CCS(=O)(=O)C1 1740621747 OSLYQHJYHSABLY-IRFCIJBXSA-N 459.616 2.362 30 10 JEEE C#CCN(c1nnc(C2CCC2)n1Cc1ccnc(OC(F)F)c1)[C@@H]1CCS(=O)(=O)C1 1740622784 IMCLZAJHZZCMIE-MRXNPFEDSA-N 451.499 2.217 30 10 JEEE C#CCN1CCN(c2nnc(CCCc3ccccc3)n2CCN2CCOC(C)(C)C2)CC1 1740699205 XYKNSFXTNWDVHM-UHFFFAOYSA-N 450.631 2.319 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C2CCN(c3ncccn3)CC2)n1CCN(C)CCCOC 1740731470 WXQSXNDEWLXJRN-RUZDIDTESA-N 466.634 2.413 30 10 JEEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 1740739632 WYJIYODPWQNXPL-GFCCVEGCSA-N 485.364 2.268 30 10 JEEE C=C(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1740784854 YPSLQQBQRWUTAM-UHFFFAOYSA-N 458.526 2.125 30 10 JEEE C=CCN(c1nnc(CNC(=O)c2cccs2)n1CCN1CCN(C)C(C)(C)C1)C1CC1 1740912897 WIHUFGPXUBKJBZ-UHFFFAOYSA-N 457.648 2.450 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(N2CCSCC2)cc1 1740940383 DGAQMSILPNQFMW-HXUWFJFHSA-N 456.616 2.470 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@@](C)(C#N)C1 1740951750 MMPIAOODBDZEKI-QFIPXVFZSA-N 455.950 2.294 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1740969350 XTARSSHSTDSVAH-GOSISDBHSA-N 482.566 2.162 30 10 JEEE CC(C)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCOCC2)CC1 1741568102 GQFACHWOKNDVLB-UHFFFAOYSA-N 454.575 2.048 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1csc2ccccc12)[C@@H]1CCS(=O)(=O)C1 1748802228 NRHYFHAULHIYER-QGZVFWFLSA-N 471.608 2.306 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H](OC)c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1748816066 WLWWOCBFCVUXJE-HLAWJBBLSA-N 476.574 2.326 30 10 JEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1CC1([S@@](C)=O)CCC1)[C@@H]1CCS(=O)(=O)C1 1748819104 KRNMEYYIRMGACN-FZYZMVIOSA-N 495.070 2.450 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@](C)(O)C(C)C)CC1 1748972653 MXSGTKIKLFENLV-HSZRJFAPSA-N 458.994 2.024 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)ccc3Br)n2CC2(O)CCOCC2)CC1 1748980036 WYATYSXHXSQKKT-UHFFFAOYSA-N 490.402 2.013 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2CCc2ccc(S(C)(=O)=O)cc2)CC1 1749004144 FOKXTHKZTBQMPO-UHFFFAOYSA-N 457.600 2.014 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2Cc2ccn(C)n2)CC1 1749006606 UJRFXWDVFINKPG-UHFFFAOYSA-N 467.961 2.355 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2CC[C@H](N2CCOCC2)C(F)(F)F)CC1 1749008608 AFGNHLNYXAQIDE-IBGZPJMESA-N 482.551 2.165 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CSc3ccc(C)cc3)n2CC(=O)N(C)CC)CC1 1749018750 DQYAQTGKDSKPMK-UHFFFAOYSA-N 468.627 2.323 30 10 JEEE C=CCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1749607977 AJIXIGZHKSVUBX-OAHLLOKOSA-N 469.409 2.236 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1749680767 QQAYBKAKRWVQOM-UHFFFAOYSA-N 470.549 2.280 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 1749730663 MIUQQSQUSHWOHL-KRWDZBQOSA-N 462.620 2.251 30 10 JEEE CC(=O)N1CCN([C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCOCC(F)F)C[C@@H]2C)CC1 1749883021 LFDYUWKKKYXTQN-LAUBAEHRSA-N 487.555 2.087 30 10 JEEE CC(C)NC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](N2CCCC2)C1 1750994996 FVQWVMDJTKRGDS-HXUWFJFHSA-N 451.575 2.318 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1CC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1760181079 PFKSZLLVRHZLSC-RTBURBONSA-N 488.610 2.359 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](C)Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 1760184743 YHEUBDRXRZKSLK-ZWKOTPCHSA-N 498.634 2.492 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1Cc1cnccc1OC)[C@H]1CCS(=O)(=O)C1 1760192047 PXVSULYUEZCFMA-NRFANRHFSA-N 465.579 2.142 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2CCCO[C@@H]2CCOC2)CC1 1760267966 IHNPPIUZYZINGH-HXUWFJFHSA-N 467.570 2.115 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3COc4ccccc4O3)n2C[C@H](OC)C(C)C)CC1 1760269188 BDVXYLLMPVDKJU-FCHUYYIVSA-N 467.570 2.427 30 10 JEEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C)C(C)(C)C1 1760358617 XKHRPMRSOKEQSY-ROUUACIJSA-N 455.625 2.076 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1760527804 JINSBKAQOXYPRR-FQEVSTJZSA-N 470.643 2.482 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1760551644 NFZVIHNURRYZCC-UHFFFAOYSA-N 470.599 2.112 30 10 JEEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1760563920 IOKMGZNUSSTFMG-UHFFFAOYSA-N 453.620 2.327 30 10 JEEE C=CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(C(=O)OC)CC1 1760564213 SJTGAKYQBBHCPY-UHFFFAOYSA-N 483.598 2.483 30 10 JEEE CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@](C)(O)c2ccsc2)CCO1 1760666364 FBAMTTSMVLJABE-NZQKXSOJSA-N 466.567 2.127 30 10 JEEE CCS(=O)(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2([S@@](C)=O)CC2)CC1 1766635395 FMSNIMDVBJXVRK-SSEXGKCCSA-N 461.613 2.131 30 10 JEEE N#Cc1cccc([C@@H]2CN(c3nnc(Cc4ccncc4)n3CC(=O)NCC(F)(F)F)CCO2)c1 1771531837 FQBXXSJEHQGNND-IBGZPJMESA-N 485.470 2.392 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCNC(C)=O)[C@H]2c2ccc(OC)c(OC)c2)cc1 1862695088 ACIHGGDPDPWMJU-NRFANRHFSA-N 454.479 2.427 30 10 JEEE CC(=O)Nc1ccc(S(=O)(=O)Nc2c(C#N)nnn2Cc2cc(Cl)cc3c2OCOC3)cc1 1870097842 ZISXBRTVFBXEFJ-UHFFFAOYSA-N 488.913 2.477 30 10 JEEE C[C@H]1CN(Cc2cc(=O)c(OCc3ccc(C#N)cc3)cn2CCN2CCOCC2)C[C@H](C)O1 1870348239 PHFXVUNSPJZFGY-SFTDATJTSA-N 466.582 2.240 30 10 JEEE C#CCOc1cn(CCN2C(=O)CSC2=O)c(CN(CC)CCc2ccncc2)cc1=O 1870562443 GQVVIQLAYVSAPI-UHFFFAOYSA-N 454.552 2.015 30 10 JEEE C#CCOc1cn(Cc2ccc(S(N)(=O)=O)cc2)c(CNc2cccc(N(C)C)c2)cc1=O 1871008011 CGYZRWUDZLXRFS-UHFFFAOYSA-N 466.563 2.234 30 10 JEEE C=CCn1c(C(=O)Nc2cccc(NC(C)=O)c2)cc2c(N3CCN(C(C)=O)CC3)ncnc21 1873645498 YLGYRBMVSWJHOQ-UHFFFAOYSA-N 461.526 2.497 30 10 JEEE COc1cc(/C=N/n2c(Cc3ccccc3F)nnc2SCC(N)=O)cc(OC)c1OC 1874375317 QBHJLPTWTJMDQY-BHGWPJFGSA-N 459.503 2.493 30 10 JEEE C#CCN(C(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1)[C@H]1CCS(=O)(=O)C1 2059477413 LTCKOINMYBNERJ-YZGWKJHDSA-N 464.584 2.134 30 10 JEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](C(=O)N2CCC(=CB3OC(C)(C)C(C)(C)O3)CC2)C1 2197801969 OTQSBVPAELFMAL-KRWDZBQOSA-N 484.424 2.201 30 10 JEEE CC(C)(C)OC(=O)NCCNS(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2247953371 SHDJSKKJKUPIDA-UHFFFAOYSA-N 460.789 2.442 30 10 JEEE CC1(C)OB(c2ccoc2C(=O)N[C@@H]2CCOC[C@H]2NC(=O)OCc2ccccc2)OC1(C)C 2255650515 ZSNYGIWGEGIIHQ-RTBURBONSA-N 470.331 2.393 30 10 JEEE C[C@@H](CN(C)C(=O)c1nn(C)c(Cl)c1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2255653524 JZONZPNVORNKMI-LBPRGKRZSA-N 456.780 2.358 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H]1NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2255751126 VKNQUYHEPVUOQR-IAGOWNOFSA-N 452.382 2.320 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](NS(=O)(=O)c2ccc(F)cc2B2OC(C)(C)C(C)(C)O2)C1 2267469024 ZUPZXEAQZOGFGT-OAHLLOKOSA-N 470.372 2.413 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)ccc1F 2268713313 YJDHVTIVFCYAIM-KRWDZBQOSA-N 452.332 2.017 30 10 JEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@@H]1CN(C)CCN1C(=O)OC(C)(C)C 2281809408 HHCFKGYOYMYYDF-MRXNPFEDSA-N 463.384 2.168 30 10 JEEE CC(C)(C)OC(=O)NCCN1CCC(NC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)CC1 2282019685 PHIBXMNEKFLIDF-UHFFFAOYSA-N 480.440 2.161 30 10 JEEE Cn1cc(C(=O)N2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)nc1B1OC(C)(C)C(C)(C)O1 2282053666 WQEGSIGBPJJIHU-CVEARBPZSA-N 460.384 2.048 30 10 JEEE Cc1c(C(=O)N[C@]23CC[C@@H]2CN(C(=O)OC(C)(C)C)C3)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282058991 CDKXUSAXBZTFBM-CMJOXMDJSA-N 460.384 2.157 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1[C@H]2CC[C@H]1[C@@H](CNC(=O)OC(C)(C)C)C2 2282537944 YJAJZDILXFUDDF-VYDXJSESSA-N 460.384 2.237 30 10 JEEE Cc1c(C(=O)N[C@@H](C)CC2CN(C(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282543847 QDRRIBHTMUVSBB-AWEZNQCLSA-N 462.400 2.403 30 10 JEEE Cc1cc(C(=O)N2CC[C@@](NC(=O)OC(C)(C)C)(C(=O)O)C2)oc1B1OC(C)(C)C(C)(C)O1 2282582941 CHSXMABRIBPFIG-QFIPXVFZSA-N 464.324 2.081 30 10 JEEE Cc1c(C(=O)N2CC[C@H](CCNC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282591862 VXIHKTILUGAZMH-INIZCTEOSA-N 462.400 2.405 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 2282592984 KSZDEBYRTNHOBJ-JKSUJKDBSA-N 460.384 2.109 30 10 JEEE Cc1c(C(=O)N2C[C@@H]3C[C@H](C2)CN3C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282595636 WZXVZDCCHUCFEV-CVEARBPZSA-N 460.384 2.109 30 10 JEEE CC(C)(C)OC(=O)NCC1(CO)CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)CC1 2282605369 GFRQZBCPFCPKNC-UHFFFAOYSA-N 481.424 2.182 30 10 JEEE CN(C)CCCN(CCNC(=O)OC(C)(C)C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2282629132 YUGYSYSAJRMODS-UHFFFAOYSA-N 464.416 2.233 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](NS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)[C@H](F)C1 2282831118 FHZANEFJWCXHDC-IAGOWNOFSA-N 485.387 2.007 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CC[C@@]1(C)CCOCc1ccccc1 2282853912 LAHVKGFRJSBIGY-QHCPKHFHSA-N 475.420 2.479 30 10 JEEE CN([C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21)S(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2282863781 WJEVKIDELAVOCU-MNZLEMJZSA-N 478.420 2.472 30 10 JEEE C[C@H]1CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2O)CC[C@@H]1NC(=O)C(F)(F)F 2282882560 NNIONIQOANMPNL-WFASDCNBSA-N 456.270 2.221 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](NC(=O)c2cc(F)c(B3OC(C)(C)C(C)(C)O3)cc2Cl)C1 2282984260 QKVVOPUCMFCVDB-IRXDYDNUSA-N 484.761 2.488 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1Cc2cccc(B3OC(C)(C)C(C)(C)O3)c2C1 2283951626 YAAGEXZEHIZMNV-VQIMIIECSA-N 458.364 2.198 30 10 JEEE CC1(C)OB(c2ccc(C(=O)NC3(C(=O)O)CCN(Cc4ccccc4)CC3)o2)OC1(C)C 2284437730 WQGXXXBCABEZLY-UHFFFAOYSA-N 454.332 2.428 30 10 JEEE BrC(C=Cc1ccccc1)=NNc1nc(N2CCOCC2)nc(N2CCOCC2)n1 2297453721 QEJRAQJWLWLEOF-UHFFFAOYSA-N 474.363 2.379 30 10 JEEE COC(CN=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)OC 2297474305 XWFDREYZNGAQBP-RVBNUVOESA-N 491.625 2.389 30 10 JEEE CC(C)N1C[C@H](c2nnc(SCC(=O)Nc3nccs3)n2N=Cc2cccn2C)CC1=O 2329020365 OIDUCBDJYDOSCQ-CQSZACIVSA-N 472.600 2.410 30 10 JEEE C=CCN(CC=C)c1nc(NC(=O)C=Cc2cccc([N+](=O)[O-])c2)n([C@H]2CCS(=O)(=O)C2)n1 2331675907 RQESSKAIVFFQLW-SFHVURJKSA-N 472.527 2.376 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](CNC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)CO1 2337395325 XTOVXOGPJRJBCP-UONOGXRCSA-N 467.397 2.102 30 10 JEEE Cc1c(C(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)nn(C)c1B1OC(C)(C)C(C)(C)O1 2359263303 OUOAXYBIIIQLMT-BZUAXINKSA-N 460.384 2.155 30 10 JEEE COc1ccc(CCNC(=O)c2cccc(/N=C3\N[C@H]4CS(=O)(=O)C[C@@H]4S3)c2)c(OC)c1 9530069 GCNIWCNOYQDBHF-ICSRJNTNSA-N 475.592 2.166 30 10 JEEE CC[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)n1c(N)nnc1SCC#N 40173428 LZHHYBMHVWUUBL-INIZCTEOSA-N 463.589 2.240 30 10 JEEE COc1ccccc1CNc1nc2c(c(=O)[nH]1)[C@@H](c1ccc3c(c1)OCCO3)[C@@H](C#N)C(=O)N2 72472353 PPCCOEOMUJWIGS-BEFAXECRSA-N 459.462 2.386 30 10 JEEE CSc1ccc(C=c2sc(=C(C#N)C(=O)N3CCN(C)CC3)n(-c3cccc(C)c3)c2=O)cc1 254346972 GEQNQFZYESZNGM-UHFFFAOYSA-N 490.654 2.206 30 10 JEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2occc2CN2C(=O)Cc3ccccc32)CC1 484808332 PRUWJZKZXLONLK-UHFFFAOYSA-N 490.541 2.387 30 10 JEEE COCCCNC(=O)C(C#N)=c1sc(=Cc2ccnc3ccccc23)c(=O)n1Cc1ccccc1 521790296 VRUUEURTDSJXNI-UHFFFAOYSA-N 484.581 2.162 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)C[S@](=O)CC(=O)OCCOc2ccccc2)nc1C 586303582 MOPSHRJOFORUMO-HKBQPEDESA-N 466.537 2.104 30 10 JEEE C#CCN(C(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(C)c2)cc1)[C@H]1CCS(=O)(=O)C1 729332513 YYBNUQGOPJCMFR-SFHVURJKSA-N 464.540 2.197 30 10 JEEE C#CCOc1ccccc1CNC(=O)[C@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(C(C)C)cc1 1136809881 HMUDDYFCCWFJMV-IFMALSPDSA-N 456.564 2.262 30 10 JEEE C#CCN(c1nnc(C(C)C)n1Cc1cccc(Cn2cccn2)c1)[C@@H]1CCS(=O)(=O)C1 1286386381 ZEFMDCCCYHODGW-OAQYLSRUSA-N 452.584 2.321 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@@H]1CCCN1CCC)[C@@H]1CCS(=O)(=O)C1 1286388310 NEEXDUFOLVYMFU-LEWJYISDSA-N 471.627 2.455 30 10 JEEE C#CCN(c1nnc(COc2ccccc2OC)n1Cc1ccoc1)[C@@H]1CCS(=O)(=O)C1 1286397787 UUNHIHQARBSUCG-GOSISDBHSA-N 456.524 2.134 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC(C)(C)C(=O)NCC 1286419143 NWIQNQKJVCQWOY-UHFFFAOYSA-N 468.989 2.487 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1C[C@H](N1CCOCC1)C(F)(F)F 1286463305 DCPOJFPSDZNWSW-IBGZPJMESA-N 462.476 2.166 30 10 JEEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C(C)(C)C)CC1 1286500774 DAYLSZRMIQMOGC-UHFFFAOYSA-N 451.604 2.208 30 10 JEEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCC2(CC1)OC(=O)NC21CCC1 1286530587 PPMBBUSPDNOTJY-UHFFFAOYSA-N 467.368 2.326 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(OC)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1286552962 SYRWPINQLYFZCD-GHTZIAJQSA-N 475.615 2.453 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(COC(C)(C)C)on1 1286581490 JQLLEYBRXVYWOU-LJQANCHMSA-N 496.634 2.365 30 10 JEEE C=C(Cl)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCOC2(CCOCC2)C1 1286622352 FZZHIJWXEPYYCQ-UHFFFAOYSA-N 452.964 2.487 30 10 JEEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)c2ccc(F)cc2)CC1 1286710341 UGJRLLYGYWYJLS-HXUWFJFHSA-N 470.549 2.360 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1286759007 YDESXHMQCLSGJW-MSOLQXFVSA-N 498.650 2.045 30 10 JEEE C=CCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 1286776015 UEZDYKWCHYNBDL-MRXNPFEDSA-N 469.558 2.210 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC[C@@H]1C 1286819612 PTQZSWQPEVCBLC-INIZCTEOSA-N 456.572 2.264 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCn1c(O)nc2ccccc21 1292054854 AYLYUDJGDYRNAH-JOCHJYFZSA-N 454.510 2.394 30 10 JEEE CNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1298926839 DTGDHIXHGGOHKD-HXUWFJFHSA-N 465.602 2.138 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(OC)CCCC2)c1 1300334533 OTRVEGNFXKMDNH-LJQANCHMSA-N 485.610 2.196 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H]1OCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1300489261 KNWWZUMRNDUXET-PLMTUMEDSA-N 474.583 2.014 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC(=O)NC1CCCCC1 1300509008 CKHDHFCIWZZZPT-UHFFFAOYSA-N 466.973 2.383 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@H](N1CCOCC1)C(F)(F)F 1300539042 WWXYWSIUXVBNBS-UXHICEINSA-N 475.471 2.127 30 10 JEEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCc1noc(CC)n1 1300579423 VQVJCSDJJAIAIK-UHFFFAOYSA-N 459.558 2.103 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2cc(C)ccc2OC)CC1 1300710835 NETUTTRWAXEFIX-UHFFFAOYSA-N 478.597 2.040 30 10 JEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 1300756246 JMTSUGSYVZRPMF-ZWKOTPCHSA-N 471.562 2.135 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1301040158 DBEPZHZFEHFFQO-MRXNPFEDSA-N 460.000 2.237 30 10 JEEE C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CCCOCC(F)(F)F)CC1 1301429196 JLBMFUHESPBCSX-UHFFFAOYSA-N 453.469 2.202 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@H](c2nccs2)C1 1301483197 KDFAISSGSSHNAH-HNNXBMFYSA-N 492.403 2.383 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)nnc1[C@@]1(OCC)CCOC1 1301520131 UNNXNNFKCBRJQT-HRAATJIYSA-N 497.522 2.289 30 10 JEEE CCS(=O)(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC2(O)CCC2)CC1 1314511309 AHYLEQCCVLKRLI-UHFFFAOYSA-N 473.599 2.437 30 10 JEEE COc1ccc(CCn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C#N)C2)c(Cl)c1OC 1315463853 DTFADCHHGHQBIU-MRXNPFEDSA-N 474.949 2.043 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1CCS(=O)(=O)N(C)C 1358879582 UVNYOXGKHHKBRW-KRWDZBQOSA-N 457.556 2.466 30 10 JEEE C#CCCCn1c(N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)nnc1[C@@]1(OCC)CCOC1 1358936752 WXQSVYKKGFNRKI-WZONZLPQSA-N 463.579 2.074 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@H](C)N2CCOCC2)CC1 1359041089 MXPMWGUJGKYCTN-UXHICEINSA-N 498.603 2.244 30 10 JEEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](c2ccnn2C)C1 1359084433 HLRUFQQDFCWRFF-CABCVRRESA-N 469.409 2.206 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1359098023 WOBGZWRIFHRYGE-JQVVWYNYSA-N 455.607 2.291 30 10 JEEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1359290925 WOCBNBRYFCWYLN-DLBZAZTESA-N 473.578 2.303 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCN(C(=O)OC)CC1 1359294961 KOZVPSOHTQZHES-UHFFFAOYSA-N 477.363 2.207 30 10 JEEE C#CCn1ccc(CN(CCOC)C(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)n1 1459760074 UIXHRJGOZWWXTP-UHFFFAOYSA-N 458.584 2.288 30 10 JEEE C=CC[S@](=O)(=NC(=O)C1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1)c1ccccc1 1463272457 RYLMNDJNKHYLDP-GDLZYMKVSA-N 450.586 2.369 30 10 JEEE C#CCN(C(=O)Nc1ccc(CC(=O)N2CCc3ccccc32)cc1)[C@H]1CCS(=O)(=O)C1 1465492692 WACAHYYMZNEVPQ-NRFANRHFSA-N 451.548 2.473 30 10 JEEE C[C@H]1CN(c2ccc(Cl)c(F)c2)CCN1C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1468659568 IAFWDNIJKZCPBQ-ZDUSSCGKSA-N 450.923 2.255 30 10 JEEE C=CCn1cc(CNC(=O)NCc2cccc(S(=O)(=O)NCc3cccc(F)c3)c2)nn1 1477542286 BMQWDBWZTCIRDN-UHFFFAOYSA-N 458.519 2.081 30 10 JEEE C#CCCCCn1c(CCc2ccccc2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1507569087 ZPYQBXRSECDQEC-UHFFFAOYSA-N 495.653 2.420 30 10 JEEE C#CCCCn1c(COc2ccccc2F)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1507595933 ZDWJFWXJBZEBBL-SIKLNZKXSA-N 468.577 2.398 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCCCS1)[C@@H]1CCS(=O)(=O)C1 1507638785 GQOVGANNNPXBHE-MOPGFXCFSA-N 462.645 2.052 30 10 JEEE C=C(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1507822247 ZEPSWXJNTVLHGJ-UHFFFAOYSA-N 451.575 2.124 30 10 JEEE C=C(Cl)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1507869987 BZFYQZQFODHCDU-UHFFFAOYSA-N 455.906 2.002 30 10 JEEE C=CC[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCN1CCOCC1)c1ccccc1 1507923951 GIKGZIHMJZQFDF-VXKWHMMOSA-N 473.643 2.309 30 10 JEEE CC(C)CO[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1509468803 GBGDBYYIKQPQGO-FPOVZHCZSA-N 473.599 2.415 30 10 JEEE CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCC[C@H]2C)CC1 1513194182 ALZSEWIOJAELCR-GOHWNWGWSA-N 479.629 2.405 30 10 JEEE COCC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCOC[C@H]2C)CC1 1518894427 ACNDMXRUDUQWFD-LJQANCHMSA-N 454.575 2.312 30 10 JEEE N#Cc1ccc(O[C@H]2CCN(C(=O)[C@@H]3CCCN(S(=O)(=O)Cc4ccccc4)C3)C2)nc1 1523932546 CVBFZZQSGSFENB-RTWAWAEBSA-N 454.552 2.175 30 10 JEEE Cn1cc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1ccc(Br)c(C#N)n1 1529891758 GVZBOFUWFBFFFJ-UHFFFAOYSA-N 452.334 2.481 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C(F)(F)F)cc1C 1539014534 MAXQMCWCGZNVRS-CRAIPNDOSA-N 485.532 2.444 30 10 JEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1C[C@H]1CCCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 1539206428 OYCQUZBPBFUHSJ-VQIMIIECSA-N 497.042 2.050 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1CCNC(=O)c1cccs1)[C@@H]1CCS(=O)(=O)C1 1539224147 CPARTYGHGYZKGM-QGZVFWFLSA-N 489.648 2.049 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1CC1(SC)CCN(C)CC1 1539260341 PBLUAPGVPSCNAT-UHFFFAOYSA-N 461.595 2.494 30 10 JEEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(CN2CCC(O)CC2)cc1 1539383863 MWVQCHVQSROMDK-UPVQGACJSA-N 467.614 2.467 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2ccc(OC)c(OC(F)F)c2)CC1 1539427994 LRCVONWMMZPAIU-UHFFFAOYSA-N 488.539 2.122 30 10 JEEE C=C(C)Cn1c(-c2cccc(Br)c2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1539686177 LLYWLNDTGAMTEP-UHFFFAOYSA-N 473.375 2.211 30 10 JEEE C=CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@H]1CCS(=O)(=O)C1 1540069409 OQAPRJOZTZQVEI-MRXNPFEDSA-N 456.572 2.122 30 10 JEEE C=CCN(c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H](C)N1CCOCC1)C1CC1 1540099086 QZFNWZKICUALKW-SFHVURJKSA-N 474.631 2.071 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1540903863 IXMZRPGRHHHNFO-RBUKOAKNSA-N 453.653 2.015 30 10 JEEE C#CCNC(=O)CN1CCCN(C(=O)c2nn(-c3ccc(Cl)cc3F)c3c2CCC3)CC1 1542894705 IWPZNMRQZYUQDC-UHFFFAOYSA-N 457.937 2.051 30 10 JEEE CCOc1ccc(O[C@H](C)c2nnc(N3CCO[C@@H](C#N)C3)n2CCCC(=O)N(C)C)cc1 1547978215 GREUPAOKMOWHPS-XLIONFOSSA-N 456.547 2.414 30 10 JEEE Cc1cc(C)n(CC(=O)N2CCN(c3ccc(C#N)c(C(F)(F)F)c3)C[C@@H]2C(=O)NC2CC2)n1 1548369643 YFUQOGNHKWNEFC-HXUWFJFHSA-N 474.487 2.386 30 10 JEEE COc1cc(C)nc(N2CCN(c3nnc(-c4ccc(C#N)cc4)n3CCC(=O)NC(C)C)CC2)n1 1554731925 HKDNKUXFGLOFRX-UHFFFAOYSA-N 489.584 2.165 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc(OC)c(O)c1 1587613992 ATFCZIMWIVKIRO-HNNXBMFYSA-N 454.556 2.459 30 10 JEEE C#C[C@H](C)N(C)c1nnc(CSc2ccccc2OC)n1CCS(=O)(=O)N1CCSCC1 1587677333 GASXJVGJIROFJK-KRWDZBQOSA-N 495.696 2.416 30 10 JEEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(Nc2cc(OCC)ncn2)CC1 1587798857 UDMKBBBFACRSOF-UHFFFAOYSA-N 452.563 2.197 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CC(=O)NCCC)[C@@H]1CCS(=O)(=O)C1 1588029688 KQVDXWVOTCTZMT-WOJBJXKFSA-N 487.626 2.188 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCOC[C@H]1OC 1588400040 UKOIOTNIZHCDIS-CEXWTWQISA-N 463.579 2.098 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(O)CCCCC1 1588646207 HHANQNQSOWUYFU-IBGZPJMESA-N 477.606 2.368 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1CCCCN1CCC[C@@H]1CO 1589142600 LERLYNNFKMGYQE-NTKDMRAZSA-N 451.575 2.154 30 10 JEEE C=C(Br)Cn1c(Cc2ccsc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1589434548 LONZAYBPLCGFRT-CQSZACIVSA-N 465.377 2.312 30 10 JEEE C=C(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1589700888 CEFLGTKEYSGZOW-GOSISDBHSA-N 488.036 2.474 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1594498761 XFAWCSNXCKPGNI-SJLPKXTDSA-N 477.635 2.357 30 10 JEEE C=CC[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC(=O)N(C)[C@H](C)C1)c1ccccc1 1594545209 RNPKFHRPBVCBOB-RLLQIKCJSA-N 457.600 2.207 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(F)ccc1F 1595218153 HMOPZFVHBDBWAD-SFHVURJKSA-N 453.515 2.116 30 10 JEEE C=CCOc1ccc(Cn2c(-c3cnccn3)nnc2N2CCC(N(C)S(C)(=O)=O)CC2)cc1 1595614607 XZUCIOAUJKXHHV-UHFFFAOYSA-N 483.598 2.208 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1595778090 WFGAGKKQLCZYCN-KRWDZBQOSA-N 491.614 2.010 30 10 JEEE CC(C)CN1CCC[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CC(=O)N2CCOCC2)C1 1607448255 FFJJJHCDUNSJJT-QFIPXVFZSA-N 479.629 2.480 30 10 JEEE CC[C@H](C)[C@@](C)(O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2C#N)CC1 1613112651 HWWSXCHMUHRLNX-PDOGEWKWSA-N 451.575 2.225 30 10 JEEE CO[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1)C(C)C 1618976717 HKRNWUYAARTDBD-SFTDATJTSA-N 452.559 2.315 30 10 JEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCCN([C@H](C)c3ccccc3F)C2=O)cc1 1628258377 XAASYCCNPUIGQA-IERDGZPVSA-N 457.527 2.219 30 10 JEEE C#CCN(CC(=O)N1C[C@H]2C[C@H](NC(=O)OC(C)(C)C)C[C@@]2(C(=O)OC)C1)C(=O)OC(C)(C)C 1644773517 HYWISIGKWUPMHZ-XVTZWQNCSA-N 479.574 2.162 30 10 JEEE C[C@@H](NC(=O)Cn1cc(CN2CCOCC2)cc(C#N)c1=O)c1ccc(Br)cc1 1651996576 FVWJRDXOTYICNG-OAHLLOKOSA-N 459.344 2.192 30 10 JEEE C=CCS(=O)(=O)CCNC(=O)NCc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 1670399868 DSUQZENXNLGBQT-UHFFFAOYSA-N 455.533 2.027 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CC(=O)N(CCOC)C1 1690075239 GDKJYFUUZMJFPQ-VQTJNVASSA-N 488.633 2.347 30 10 JEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1 1690485658 ZFYVLPABXYEIGY-ROUUACIJSA-N 493.634 2.468 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCC(=O)N(C)C 1690571858 LARIXOPRGFCQNR-GOSISDBHSA-N 463.579 2.380 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@](C)(O)c2cccc(Cl)c2)C1 1690686195 KPAGNRSRWMTBOP-FPDPHYFHSA-N 484.022 2.231 30 10 JEEE COc1ccc(CCc2nnc(N3CCN(c4nccnc4C#N)C[C@H]3C)n2C[C@@H](C)N(C)C)cc1 1697407039 BULLSLGMQWAZCI-WOJBJXKFSA-N 489.628 2.399 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H](C)N1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1705565268 HSMOLWKAYKZRAB-NJYVYQBISA-N 463.648 2.267 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H](C)N(C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1705567412 XUJCOGQOLBIXCX-QUCCMNQESA-N 452.584 2.425 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CCC[C@@H](O)C1)[C@@H]1CCS(=O)(=O)C1 1705571645 DWCGQRRJHQETID-PFAUGDHASA-N 478.659 2.375 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1cccc(S(=O)(=O)NC)c1 1705587593 BEXSQWMFCLCQRT-NHCUHLMSSA-N 469.611 2.226 30 10 JEEE C=C(Br)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C2CC2)C(=O)C1 1705691679 LPQIIAHSTDVFDK-UHFFFAOYSA-N 457.332 2.448 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccnc2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1705703932 PPZXQEWIVASMTM-PMACEKPBSA-N 460.604 2.087 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1 1705709174 LUENJZPRXGCELQ-NSXLHWASSA-N 450.543 2.412 30 10 JEEE C=C(Cl)Cn1c(-c2cc(Br)cn2C)nnc1N1CCN(CC(=O)NCC)CC1 1705745642 FPQXIGHLJCQMBX-UHFFFAOYSA-N 470.803 2.057 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1705895885 WHISRMWKZHYDEX-IVZQSRNASA-N 463.485 2.233 30 10 JEEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1705900777 OZGNKGINVGDCKR-INIZCTEOSA-N 451.531 2.016 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCCNC(=O)C(C)C)C1 1705922367 LNOKXTGEBBJVNC-GOSISDBHSA-N 479.585 2.136 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@H](OCC(C)C)C1 1705934645 SMEDXQNMHMROMD-KRWDZBQOSA-N 486.598 2.446 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCN(CC2CCOCC2)CC1 1705935369 PAFHKKLWXPAABD-UHFFFAOYSA-N 491.633 2.157 30 10 JEEE C=CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CC(=O)NC(C)C 1705946528 KAPXWGXZDGLTJU-KRWDZBQOSA-N 482.651 2.467 30 10 JEEE CC1CCN(CCn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N2CC[C@](F)(C#N)C2)CC1 1708141296 ALYIXAQELPXDLI-QHCPKHFHSA-N 489.621 2.369 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@@H]1CCO[C@H](C)C1 1708751303 FNZPDHPKPQGBOE-IEBWSBKVSA-N 497.648 2.252 30 10 JEEE CCN(c1nnc(-c2ccc(C#N)cc2)n1CC1([S@@](C)=O)CCC1)[C@@H]1CCS(=O)(=O)C1 1709938015 HDNQXIPNBZFOSW-VPTFNQTCSA-N 461.613 2.131 30 10 JEEE COCCn1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCCO[C@@H](C)C2)cn1 1712467566 HHNOSAYVYXSGBR-SFHVURJKSA-N 451.531 2.235 30 10 JEEE C#CCCCn1c(N2CCO[C@H](Cn3nc(C)cc3C)C2)nnc1[C@]1(OC(C)C)CCOC1 1722341147 ULWUUAYNQDHWKP-URXFXBBRSA-N 456.591 2.451 30 10 JEEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1csc(CCc2ccccc2)n1 1722344750 MEVYVPNLVBSNOC-INIZCTEOSA-N 458.613 2.248 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@H](CC)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1722362344 SULLKOPPKDPHBV-ZWKOTPCHSA-N 490.630 2.214 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CC(C)(C)OCC)CC1 1722446896 AZEHRXQCZZQUTI-UHFFFAOYSA-N 494.644 2.233 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCN(C(=O)NCC)CC2)nnc1[C@]1(OC(C)C)CCOC1 1722501010 NVTFRXKIVXQWRU-SKPFHBQLSA-N 476.622 2.151 30 10 JEEE C=C(Cl)Cn1c(CC(C)C)nnc1N1C[C@@H]2[C@@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1722552513 QVUZQSWTAOQKFG-PMPSAXMXSA-N 474.027 2.356 30 10 JEEE C=CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1722612809 XEMFZTGNGYYGCW-INIZCTEOSA-N 466.546 2.460 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCCN(CC)C(=O)C1 1722691279 PTPFXUIRGUXYEB-IBGZPJMESA-N 454.575 2.396 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1722724140 OMZILPMHCJMKIN-QXAKKESOSA-N 491.589 2.405 30 10 JEEE CC(C)CN1CCO[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@@H](CC(N)=O)C2)C1 1723475022 DLKYLCKMGMBOMO-JTHBVZDNSA-N 495.628 2.177 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1cccc(C(F)F)c1)[C@H]1CCS(=O)(=O)C1 1740615378 CLSQARCVQLPRJT-KRWDZBQOSA-N 465.526 2.029 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)ccc2Br)n1C[C@H](C)OC)[C@H]1CCS(=O)(=O)C1 1740618861 KZIUFSYXVHTIFJ-GJZGRUSLSA-N 497.415 2.378 30 10 JEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1C[C@]1(OC)CCOC1)[C@@H]1CCS(=O)(=O)C1 1740620825 YFEPPQFVZJJNTE-WIYYLYMNSA-N 464.975 2.031 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1CC1CCN(CC(F)(F)F)CC1)[C@@H]1CCS(=O)(=O)C1 1740621471 LYQQIPCMBOIZDD-GOSISDBHSA-N 496.559 2.241 30 10 JEEE C#CCN(c1nnc(CSc2ccc(Cl)cc2)n1C[C@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1740627286 GENIJOGYKWFEHV-ROUUACIJSA-N 497.042 2.266 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@H]1NC(=O)CC1(C)C 1740647438 PAQPSNHNQMLKCD-FQEVSTJZSA-N 465.554 2.349 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1Cc1ccc(CN2CCC(O)CC2)cc1 1740653006 VYWABQHTRIGLHR-UHFFFAOYSA-N 455.566 2.203 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(Cl)c3)n2CCN2CCN(C)C(C)(C)C2)CC1 1740691856 APDPYGSWBZRZCA-UHFFFAOYSA-N 456.038 2.380 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1cccc(C(=O)N(C)C)c1 1740730887 KROAQRDDMYXHOM-GBXCKJPGSA-N 469.611 2.117 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)CCS(C)(=O)=O 1740756264 GOIATDLTHHIUTB-BEFAXECRSA-N 472.571 2.056 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)CC1CCC1 1740762706 VUIQNVBUEUDUEO-UFYCRDLUSA-N 467.636 2.219 30 10 JEEE C=C(Cl)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1740804854 GOBRXGBGDSADGH-FOIQADDNSA-N 452.964 2.485 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 1740899417 MJBXIBKSGWQZBI-RTWAWAEBSA-N 459.616 2.094 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@]1(C)COCCO1 1740920399 CCKJDAVKVWSSAW-PGRDOPGGSA-N 464.563 2.317 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCOC2(CCOCC2)C1 1740955363 RRYFBAOZJHSXBH-UHFFFAOYSA-N 485.585 2.429 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1cccc(Cl)c1 1741131917 HVDVADAFKBAGSE-STXHMFSFSA-N 451.980 2.337 30 10 JEEE CC[C@@H](C)NC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCCC2)CC1 1743910170 HFROSINHPYEJIL-HXUWFJFHSA-N 495.628 2.071 30 10 JEEE CO[C@@H](C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1748379054 BGDPJLGSPGMXFV-KGLIPLIRSA-N 486.378 2.447 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2Cc2c(CC)noc2C)c1 1748689952 KSESBSAQVGVKJH-UHFFFAOYSA-N 475.553 2.477 30 10 JEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCO[C@H](c2ccccc2)C1 1748717674 FVEZMXRWOXUZEZ-VXKWHMMOSA-N 487.626 2.383 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@@H]1CC(F)(F)CO1)[C@@H]1CCS(=O)(=O)C1 1748820914 JEZUTNLQGRFOOE-MJGOQNOKSA-N 480.537 2.216 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@H](OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1748824124 JMSNDXWLWNWJJV-ICSRJNTNSA-N 462.547 2.048 30 10 JEEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CCN(CC(F)(F)F)C1 1748830431 WCMHCRXMMLJYRE-RXVVDRJESA-N 453.509 2.276 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccc(C)cc1)N(C)C 1748891703 DOIAQBBCCOMNEJ-VXKWHMMOSA-N 453.612 2.254 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1csc2ccccc12 1748892501 PNONGWQGRBERDH-HXUWFJFHSA-N 483.619 2.337 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2CC(=O)N2CCN(c3ccccc3)CC2)CC1 1749004902 PPXUHLNAJYBTMA-OAQYLSRUSA-N 491.640 2.106 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccccc2F)nnc1N1CCN(CCOC)C(=O)C1 1749134083 UJYZYWPUNROKID-AUSIDOKSSA-N 457.550 2.284 30 10 JEEE C=CC[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C)C(=O)[C@@H]1C)c1ccccc1 1749385779 UIDDFLRXFRNXRS-DFQSSKMNSA-N 457.600 2.207 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)N(CC)CC)CC1 1749663958 BZUCHIWCZTUJNX-UHFFFAOYSA-N 459.982 2.485 30 10 JEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1749755520 IMDPPOIFDJGYGO-SFHVURJKSA-N 485.676 2.404 30 10 JEEE C#CCN(c1nnc(-c2ccc(Br)cc2)n1Cc1ccn(C)n1)[C@H]1CCS(=O)(=O)C1 1760183457 PGMLIWBYMKYJJN-SFHVURJKSA-N 489.399 2.116 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H](Cc1ccccc1)OC)[C@H]1CCS(=O)(=O)C1 1760187708 DTTGZCUITYHTKZ-VXKWHMMOSA-N 465.579 2.225 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1CCc1ncc(CC)s1)[C@@H]1CCS(=O)(=O)C1 1760189947 SKDIGHPTMGICAL-MRXNPFEDSA-N 458.613 2.172 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCOc2ccccc2C(C)C)CC1 1760251875 KIQDENIMTUYDGK-UHFFFAOYSA-N 450.587 2.472 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2CCSC2)CC1 1760265531 DEXLEEPALDWNFY-MBSDFSHPSA-N 461.632 2.038 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2Cc2ccc(F)cn2)CC1 1760270290 OACUQAPICLGGET-UHFFFAOYSA-N 462.529 2.426 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(OCCO)c(OC)c2)CC1 1760402742 SXAJZOIJAASQJA-LJQANCHMSA-N 476.599 2.011 30 10 JEEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCCS1(=O)=O 1760463658 LFTBOWQCCRXUFF-IAGOWNOFSA-N 469.608 2.176 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1cnnn1C 1760504209 XDBQAXRTNXLHNU-QGZVFWFLSA-N 460.583 2.208 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1760516066 IUOSEIPYDWKBBD-DLBZAZTESA-N 470.549 2.354 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCCN(c2cc(OC)cc(OC)c2)CC1 1760524227 SJAFUFPHAPVDSF-IBGZPJMESA-N 484.601 2.208 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@]2(N(C)C)CCSC2)C1 1760549712 KXOFVCMZSZGDGO-VGSWGCGISA-N 476.672 2.488 30 10 JEEE C=CCSCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CC(=O)N(C)C[C@H]1C 1760567733 LJMUXNOYDNIXDI-OAQYLSRUSA-N 483.686 2.229 30 10 JEEE C[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(=O)(=O)Cc2ccon2)C[C@H]1C 1762965853 CNIJIKIYZAPXHW-DLBZAZTESA-N 469.571 2.407 30 10 JEEE CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)cc1OC 1767565658 BELGPUMXLWVSAR-GOSISDBHSA-N 459.572 2.376 30 10 JEEE COc1cc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC(C)(C)CN(C)C)cc(OC)c1OC 1768279568 ACZNKLJBZFAZFV-QGZVFWFLSA-N 458.563 2.287 30 10 JEEE CN(C(=O)CN1C(=O)c2ccccc2C1=O)c1ccc(NS(=O)(=O)c2ccccc2C#N)cn1 1858271655 DYVDWMKJWOMAQT-UHFFFAOYSA-N 475.486 2.013 30 10 JEEE N#Cc1ccccc1S(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc3nc(O)oc3c2)nc1 1858293166 KXNDHAQIVMCVLV-UHFFFAOYSA-N 471.476 2.402 30 10 JEEE C=CCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CC(=O)N(c2ccc(C(=O)OCC)cc2)C1 1861607904 BWSNROPORIUJDO-IRLDBZIGSA-N 463.534 2.246 30 10 JEEE O=C(C1=C(O)C(=O)N(CCCN2CCOCC2)[C@H]1c1ccc(O)c(O)c1)c1cccc([N+](=O)[O-])c1 1862741200 MUKFXQWBFSSBTJ-NRFANRHFSA-N 483.477 2.307 30 10 JEEE COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](CO)NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1 1866865924 BOCRKAUBDARNED-QZTJIDSGSA-N 487.538 2.057 30 10 JEEE CC[C@H](C)[C@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1869930253 VSHHSOVWPJEBOJ-JTSKRJEESA-N 470.595 2.497 30 10 JEEE CCN(CC)CCNC(=O)c1ccc(-n2nnc(C#N)c2NC(=O)COc2ccc(OC)cc2)cc1 1870149172 MRERJMPJPUYIQM-UHFFFAOYSA-N 491.552 2.237 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCc2ccc(OC)cc2)cn1CCN(C)C 1870648650 GLYZYOYRDRSNKJ-UHFFFAOYSA-N 468.598 2.288 30 10 JEEE CCCCCCCCNC(=O)C1CCN(C(=O)[C@@H]2CC(=O)N(CCN3C(=O)CSC3=O)C2)CC1 1872953509 KZLFUEANEPPLKH-LJQANCHMSA-N 494.658 2.246 30 10 JEEE C=CCn1c(C(=O)N2CCC(C(N)=O)CC2)cc2c(N3CCN(c4ccccc4F)CC3)ncnc21 1873562750 QZGLNCJZLDIYEK-UHFFFAOYSA-N 491.571 2.421 30 10 JEEE C=CCn1c(C(=O)N2CCN(CCO)CC2)cc2c(NC[C@@H](O)c3ccc(Cl)cc3)ncnc21 1875230899 ROTVGCQDCVCWLR-OAQYLSRUSA-N 484.988 2.166 30 10 JEEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@H]1C(=O)N1CCC(COc2ncccc2C#N)CC1 1892001331 KUVVBFSUTXKNKG-IBGZPJMESA-N 473.555 2.029 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H]1NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2247880494 GGRSVEVMRBIKAB-KBPBESRZSA-N 458.411 2.381 30 10 JEEE Cc1c(B2OC(C)(C)C(C)(C)O2)csc1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O 2255871932 PWNXYWNVSMURAV-CABCVRRESA-N 452.382 2.066 30 10 JEEE CO[C@H]1CN(C(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C[C@H]1NC(=O)OC(C)(C)C 2255878752 DUNHCNHCVILRJQ-CABCVRRESA-N 452.382 2.411 30 10 JEEE CCO[C@@H]1C[C@H](NC(=O)OC(C)(C)C)[C@H]1NC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2266989791 JHAFHXHRFBUYTQ-SQWLQELKSA-N 467.397 2.243 30 10 JEEE COC1(CCNC(=O)c2occc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2267187671 BIHKSGUPKXRNIE-UHFFFAOYSA-N 450.341 2.335 30 10 JEEE C=CC1(NS(=O)(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)CN(C(=O)OC(C)(C)C)C1 2267375111 CAXWZHCFRRGJOR-UHFFFAOYSA-N 464.393 2.440 30 10 JEEE CN(C(=O)OC(C)(C)C)C1CN(S(=O)(=O)Cc2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2267709583 DWZDDZRLTGXPCQ-UHFFFAOYSA-N 466.409 2.367 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@H](NS(=O)(=O)Cc2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267710506 WTKVAOYZUAEBRV-IYARVYRRSA-N 466.409 2.461 30 10 JEEE CN(C(=O)OC(C)(C)C)[C@@H]1CCN(S(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267715045 RAUQMBACSKYGKH-MRXNPFEDSA-N 467.397 2.011 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C1)[C@@H]2NS(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2267721585 QJDGNBJDJTZTHI-JLVBRIDZSA-N 464.393 2.129 30 10 JEEE CO[C@@H]1[C@H](OC)CN(C(=O)OC(C)(C)C)[C@@H]1CNc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2280770431 UKSQGIDAUPMQER-LMMKCTJWSA-N 463.384 2.442 30 10 JEEE C[C@@H]1CN(Cc2ccccc2)C[C@]1(C)CNC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2281949791 NPLUFFNEAJUOIQ-OSPHWJPCSA-N 453.396 2.002 30 10 JEEE Cn1nc(C(=O)N[C@@H]2CC[C@H]3CC[C@H]2N3C(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2281975936 UTMOVWDRYXGHFG-ZMSDIMECSA-N 460.384 2.380 30 10 JEEE Cc1nn(C)c(C(=O)N2C[C@H]3CC[C@@]3(NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2281988031 GTTVOKGJFZMBKU-IQMFZBJNSA-N 460.384 2.157 30 10 JEEE CC(C)(C)OC(=O)N1[C@H](CNC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)C[C@@H]2COC[C@H]21 2282014078 NQTWZTRBKFZVNH-QLFBSQMISA-N 479.408 2.197 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)C[C@]12CCOC2 2282014504 QRANMLRSKQGJHH-FPTDNZKUSA-N 479.408 2.341 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](O)CN1C(=O)c1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2282478275 AUIQENIQQSNZET-HZPDHXFCSA-N 464.343 2.225 30 10 JEEE Cn1cc(C(=O)N2C[C@H]3CN(Cc4ccccc4)C[C@]3(C)C2)nc1B1OC(C)(C)C(C)(C)O1 2282546084 KUFCLSPBVFLVOT-KBMIEXCESA-N 450.392 2.313 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NN2CCN(C(=O)OC(C)(C)C)CC2)c1 2282554182 ZROVAROQGNQYGW-UHFFFAOYSA-N 461.368 2.192 30 10 JEEE Cc1c(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282554633 GSNCMAUNCBNPBZ-HOCLYGCPSA-N 462.400 2.403 30 10 JEEE CN(C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1)[C@@H](CNC(=O)OC(C)(C)C)C(F)(F)F 2282557418 VIMGRFJPNFFQQB-ZDUSSCGKSA-N 476.305 2.247 30 10 JEEE CCc1nn(C)c(C(=O)N[C@H]2[C@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)c1B1OC(C)(C)C(C)(C)O1 2282559199 NSQPIINQKZCRHG-LXZKKBNFSA-N 460.384 2.019 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(S(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282829438 DYCAGURSRXCLLG-HOTGVXAUSA-N 481.424 2.305 30 10 JEEE Cn1[nH]c(=NC(=O)OC(C)(C)C)cc1C(=O)NCc1ccccc1B1OC(C)(C)C(C)(C)O1 2283936750 POGPUXUNYBSPPT-UHFFFAOYSA-N 456.352 2.418 30 10 JEEE Cn1nccc1C(=O)N1CCC([C@H]2CN(c3ccc(C#N)c(C(F)(F)F)c3)C[C@@H]2C(N)=O)CC1 2297650899 VZKPLIMZCOYDFD-MSOLQXFVSA-N 474.487 2.401 30 10 JEEE COCCN1C(=O)C(=O)C(=C(O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@H]1c1ccccc1F 2297745732 AJGCVZKNRYCLQD-LJQANCHMSA-N 462.499 2.144 30 10 JEEE Cc1scc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2O)c1B1OC(C)(C)C(C)(C)O1 2343495006 SATBGCCRQTUWRJ-HZPDHXFCSA-N 466.409 2.456 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H]3CC[C@H](C2)N3C(=O)OC(C)(C)C)n1C 2362332220 MGBZFWADEPFZPO-IYBDPMFKSA-N 460.384 2.252 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)[C@H]2C1 2362350065 NNSFIEKNDXBHHU-HRCADAONSA-N 460.384 2.095 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 2362357575 ONKHIRNRHVKZTG-JKSUJKDBSA-N 460.384 2.048 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H](C)C[C@H](NC(=O)OC(C)(C)C)C2)n1C 2362494770 RQNJFJZBELLCHV-HOCLYGCPSA-N 462.400 2.403 30 10 JEEE CCc1nnc(NC(=O)CSc2n[nH]c(N/N=C/c3cc(OC)c(OC)c(OC)c3)n2)s1 20909548 CZQARZLBUSTSDW-UFWORHAWSA-N 478.560 2.421 30 10 JEEE COc1cccc(/C(C)=N/Nc2nnc(SCC(=O)Nc3ccccc3[N+](=O)[O-])n2N)c1 21326069 DPAOUSSQCBDXHS-WSDLNYQXSA-N 456.488 2.476 30 10 JEEE NC(=S)N1N=C(c2ccc([N+](=O)[O-])cc2)/C(=N/Nc2ccc3ccccc3c2S(=O)(=O)O)C1=O 59461650 XXNUZQCOQRLMDX-QJOMJCCJSA-N 498.502 2.253 30 10 JEEE COc1cc(OC)c([C@H]2c3c(nc(N4CCC(C)CC4)[nH]c3=O)NC(=O)[C@@H]2C#N)cc1OC 72445313 OCLBVNFLBCAVQA-RDTXWAMCSA-N 453.499 2.256 30 10 JEEE COC(=O)c1[nH]c(C)c(/C(O)=C2/C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(C)o2)c1C 103090945 BMCOOMNDETWFBF-DQVIVYRFSA-N 485.537 2.464 30 10 JEEE CCN(CC)c1c(/C=N/Nc2nnc(SCC(=O)Nc3nnc[nH]3)[nH]2)c(C)nn1-c1ccccc1 253566356 IVGMXQMIUHURLB-FOKLQQMPSA-N 494.589 2.440 30 10 JEEE COC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(CN2CC(=O)N(Cc3ccc(C#N)cc3)C2=O)CC1 726585635 HMZRBMJTADSIAB-HSZRJFAPSA-N 495.967 2.465 30 10 JEEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CCc1cccnc1 729673270 WLIMXXHHTSPSPC-KRWDZBQOSA-N 457.559 2.313 30 10 JEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCC[C@@](COC)(C(=O)OCC)C2)cc1 1198244634 QQRNAEFKTQYKSQ-OAQYLSRUSA-N 453.561 2.317 30 10 JEEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCCN(Cc2ccccc2)C1 1286361940 VLTMZQRAEKRNQN-CTNGQTDRSA-N 458.632 2.260 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H]1CCCCS1(=O)=O 1286442636 HRODUPFKDQDSRI-QGZVFWFLSA-N 468.583 2.102 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCC1(O)CCOCC1 1286460104 ULTFJDZQAFGDHV-UHFFFAOYSA-N 450.543 2.353 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1286475205 ZFFHUUYXMPOEJG-LSDHQDQOSA-N 483.935 2.019 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1286552577 QWGNKVDZSALVFV-KVSKMBFKSA-N 481.022 2.445 30 10 JEEE C=CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N(C)CC(=O)N1CCOCC1)c1ccccc1 1286678009 NVEAHUHYYGTRFV-HXUWFJFHSA-N 454.575 2.071 30 10 JEEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC[C@@H](C2CCC2)C1 1286687226 HMVDADQMFRKKBR-VQTJNVASSA-N 467.636 2.220 30 10 JEEE C=CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1286703338 KDHSLOVBYALEPS-UHFFFAOYSA-N 454.623 2.240 30 10 JEEE C=CCN(CCOC)c1nnc(-c2cccc(Br)c2)n1C[C@@]1(O)CCN(C)C1 1286764846 BXHXUQIZXNPXSZ-HXUWFJFHSA-N 450.381 2.413 30 10 JEEE C=CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1286774177 AXHJZNQUYBDCHY-IRXDYDNUSA-N 468.624 2.097 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 1286787099 BWKJHTOIOWQYKV-DLBZAZTESA-N 487.992 2.378 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H]2CCS(=O)(=O)C2)C1 1286804473 NRMKIZNEKGTDPN-SJLPKXTDSA-N 462.572 2.178 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCCc2ccccc2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1286821863 CJPQDNSZVJFYKO-GBXCKJPGSA-N 474.627 2.438 30 10 JEEE C[C@H](CN1CCOCC1)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@H](C)CC#N 1288704922 HCCPJNWYQDKGHM-QZTJIDSGSA-N 460.604 2.055 30 10 JEEE CC1(C)CN(CCn2c(N3CCN(c4ccc(C#N)cn4)CC3)nnc2C(C)(C)C)CCO1 1289042344 BBAHUFYDLITWDJ-UHFFFAOYSA-N 452.607 2.280 30 10 JEEE CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1297274843 FJDVWJNDMFXVOT-PMACEKPBSA-N 482.633 2.296 30 10 JEEE C#CCCCCn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1300357753 WUAHCFSODPZIJW-HXUWFJFHSA-N 472.615 2.083 30 10 JEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(n2cc(Cl)cn2)CC1 1300363625 FRMYYCINAYGEES-LJQANCHMSA-N 496.037 2.106 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1CCCOCC)[C@@H]1CCS(=O)(=O)C1 1300483401 LJHFDCUBQGGQBA-MRXNPFEDSA-N 484.420 2.099 30 10 JEEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1CCCn1cccn1)[C@@H]1CCS(=O)(=O)C1 1300504493 NYGZBBZCENKDNI-OAQYLSRUSA-N 482.610 2.387 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)c1nc(-c2ccccc2)no1 1300557229 RDCVHTKZIFHWJR-ZWKOTPCHSA-N 481.582 2.205 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@H](Cc2ccccc2)OC)CC1 1300732390 MXTWOLYURDZALS-FCHUYYIVSA-N 451.571 2.353 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCS(C)(=O)=O 1300805376 BDSXXPMTCVRRQF-VGOFRKELSA-N 481.619 2.013 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCCC1(F)F 1300805848 JOVSRHYYZHZQCJ-FUHIMQAGSA-N 471.574 2.429 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccc2OC)nnc1N1CCN(S(C)(=O)=O)CC1 1300879486 DPCDATJOSOOJTO-YLJYHZDGSA-N 461.588 2.017 30 10 JEEE C=C(C)COCCn1c(-c2cccnc2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1300984252 ZJAFHWKEDXCKRX-UHFFFAOYSA-N 453.591 2.067 30 10 JEEE C=C(Cn1c(N2C[C@@H](O)[C@H](CC(=O)OC)C2)nnc1[C@]1(OC(C)C)CCOC1)c1ccccc1 1301009710 COWGJXCRADYHOE-OTPAQWSUSA-N 470.570 2.392 30 10 JEEE C=C1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@]2(C)CN(C)C2=O)CC1 1301086991 RAURQLVZWHPGOI-GAJHUEQPSA-N 460.579 2.221 30 10 JEEE C=CCC(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1301160357 PJMXNMMMZTUTNH-HZPDHXFCSA-N 461.588 2.232 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCN(C(=O)OCC)CC1 1301578576 FEUMOLKEHHGMDK-UHFFFAOYSA-N 499.597 2.010 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(C)cc1N1CCOCC1 1305789534 FBWSSFYFLMKZNG-OAQYLSRUSA-N 481.601 2.119 30 10 JEEE CN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 1314638599 GVVTWXBQEYNNPV-GOSISDBHSA-N 453.547 2.398 30 10 JEEE COCCN(Cc1ccco1)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1316093154 CPBWZYVXWQLZJH-HXUWFJFHSA-N 484.582 2.487 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1CC1CN(C(=O)OC(C)(C)C)C1 1358980836 LXCXZOXIAUPPNT-UHFFFAOYSA-N 459.554 2.456 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(C)(C)N1CCOCC1 1358987139 UCXLLWOHNAOOMO-UHFFFAOYSA-N 497.669 2.120 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@](C)(O)CCOC 1359007880 ZSJUHKAQXUZAFC-DEOSSOPVSA-N 452.559 2.483 30 10 JEEE C=CCC(C)(C)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1359186116 VJXZWTFFSQUJRP-UHFFFAOYSA-N 496.612 2.492 30 10 JEEE C=CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1359213997 OMJHWOXXAKNBRZ-IBGZPJMESA-N 492.628 2.195 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@]2(OCC)CCOC2)n1C[C@]1(C)CN(C)C1=O 1359255955 PKDOOJGXTASTQY-DQEYMECFSA-N 464.570 2.473 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CC(=O)N(c2ccccc2)C1 1359272559 WPRRZDQBADDQOG-MOPGFXCFSA-N 455.584 2.412 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1359292179 JLKKNRPJTYKISA-MHECFPHRSA-N 452.559 2.054 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1359292693 VYNTVJWBCATCPD-HOTGVXAUSA-N 460.510 2.136 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)C1CCC(NC(C)=O)CC1 1359294537 WUSLQCRFPSWPDD-UHFFFAOYSA-N 455.519 2.039 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CC[C@](O)(c2ccc(C)cc2)C1 1359330094 GSTHJUPAUBJURE-HSZRJFAPSA-N 453.568 2.347 30 10 JEEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1359337593 WKBGORBFMDBFFC-GFCCVEGCSA-N 469.555 2.155 30 10 JEEE N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCC(n3cc(Br)cn3)CC2)cc1 1443388536 GWZOSVRCSNKFHA-UHFFFAOYSA-N 451.346 2.296 30 10 JEEE C#CCn1ccc(CN(CCOC)C(=O)c2ccc(C)c(S(=O)(=O)NC3CCCC3)c2)n1 1459759908 TVUBKJYUPZSZJK-UHFFFAOYSA-N 458.584 2.334 30 10 JEEE C#CCCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1507554943 ACDYCFKIIKJRQV-KRWDZBQOSA-N 461.588 2.236 30 10 JEEE C#CCN(C)c1nnc(CSc2ccccc2OC)n1CCN/C(O)=C1\N=CC=CC1=O 1507618628 AUZOTYRLRMPCFB-QZQOTICOSA-N 452.540 2.175 30 10 JEEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CC(C)(C)SC)[C@H]1CCS(=O)(=O)C1 1507624801 DNZXMHABEOTRGG-LAUBAEHRSA-N 470.661 2.087 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CC(C)(C)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 1507634808 NKUOQXPBKCRTLI-NRFANRHFSA-N 470.643 2.155 30 10 JEEE C#CCN(c1nnc(CCOc2ccccc2)n1CCc1cccnc1)[C@H]1CCS(=O)(=O)C1 1507638013 CRKIQSFRNXOQFH-NRFANRHFSA-N 465.579 2.164 30 10 JEEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccccc1CN1CCC(O)CC1 1507660887 GRYAMLBVVSHSHF-NDEPHWFRSA-N 491.636 2.398 30 10 JEEE C#CCN(CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC1(S(C)(=O)=O)CCCC1 1507693657 FCDOOVHONQJRET-UHFFFAOYSA-N 498.697 2.460 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@@]2(O)CCO[C@H]2C)CC1 1507719623 AAOPIEFQOOAWFG-BTYIYWSLSA-N 478.366 2.142 30 10 JEEE C=CC1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCN2CCCS2(=O)=O)CC1 1507897497 JVPJEFREWRKNGZ-UHFFFAOYSA-N 461.588 2.400 30 10 JEEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1507951179 BPXXWWKUPPTPLF-UHFFFAOYSA-N 485.658 2.370 30 10 JEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccc1C(F)(F)F 1508059235 RKYCKMBMDCYUEM-INIZCTEOSA-N 459.494 2.452 30 10 JEEE CCC[C@H](C)C(=O)NCCn1c(C(C)C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1514270543 CNHFKHMSDSBOMO-KRWDZBQOSA-N 455.611 2.194 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](c2ccccc2)[C@H]1C 1539125235 KMMYQFHEUPNNKL-GIVPXCGWSA-N 457.600 2.407 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H](c1ccc(F)cc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1539216253 PUTYNASEWUWIQX-FPOVZHCZSA-N 470.574 2.342 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN(C)[C@H]1c1cccs1 1539267286 YHZWOCJOWLRTLH-QKNQBKEWSA-N 471.652 2.398 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCCCO3)n2C[C@H]2CCCN(C(C)=O)C2)n1 1539424178 NDKMAYAGMPNRLU-GMAHTHKFSA-N 483.617 2.261 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccccc3Br)n2C[C@@](C)(O)CCOC)CC1 1539441405 NVFLYMRILOASEE-NRFANRHFSA-N 462.392 2.250 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(OC(C)(C)C)nc2)CC1 1539462085 BOBJVACFLOKFPB-UNMCSNQZSA-N 468.602 2.378 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(OCCOC)cc2)CC1 1539481858 PASCPDNFCGBRJV-QFIPXVFZSA-N 481.597 2.211 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2CC[C@@H]2CCCCO2)CC1 1539488493 KPHVACPUMMCIFH-IBGZPJMESA-N 484.626 2.195 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CC(F)(F)CNC(=O)OC(C)(C)C)CC1 1539489087 GPJBJYNCHHUHNL-QGZVFWFLSA-N 496.559 2.255 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCCCO2)n1C[C@]1(O)CCS(=O)(=O)C1 1540128584 NLDWYNBZGUUTJV-NZQKXSOJSA-N 471.583 2.134 30 10 JEEE C=CCn1c(N2CC[C@]3(CCS(=O)(=O)C3)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1540860691 HZCZKFVHDZHTEX-MRUHUIDDSA-N 451.593 2.250 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@]2(CCSC2)C1 1540861700 CKPPXHPLRWXDRA-JOCHJYFZSA-N 475.018 2.497 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H](n2cncn2)C1 1540863027 NYUMXNWKGLSGIV-WMZOPIPTSA-N 454.510 2.292 30 10 JEEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@H](OCC=C)C1 1540870817 XRYNCFJHJUQXNX-IBGZPJMESA-N 474.606 2.476 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1540874682 OGYKMVHUDYZZKE-LJQANCHMSA-N 476.541 2.182 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCOC(C)(C)[C@H]1C 1540901997 XFTKJYZHABWPTI-OAHLLOKOSA-N 472.571 2.198 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCC[C@@H](OC)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1540909121 YOVULCFSDUMUQS-FGTMMUONSA-N 483.635 2.265 30 10 JEEE CC(C)(C)C(=O)NCCn1c(Cc2cccnc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1541138696 GKALZNCINWMLTH-UHFFFAOYSA-N 473.585 2.019 30 10 JEEE CC(C)Cc1nnc(N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)n1CCC(=O)N(C)C 1541470229 IERIDALYFDCXGH-UHFFFAOYSA-N 466.546 2.401 30 10 JEEE CCNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1547741583 ABZQOHJEQOKRFH-JKSUJKDBSA-N 460.604 2.237 30 10 JEEE CN(CCN1CCOC(C)(C)C1)c1nnc(-c2ccc(C#N)cc2)n1CCC1(O)CCOCC1 1554299196 BTNFMVLCRSGIKL-UHFFFAOYSA-N 468.602 2.295 30 10 JEEE COCC[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(Cc2cc(C)no2)CC1 1555418692 DBIBFJFNCVHAOV-XMMPIXPASA-N 465.558 2.223 30 10 JEEE N#Cc1cc(F)ccc1N1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)CC1 1557978721 DMIGPPWYTYVYBV-SFHVURJKSA-N 456.543 2.447 30 10 JEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cn2ccsc2n1 1587989629 LILISFREYHWQMO-MRXNPFEDSA-N 457.560 2.413 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1Cc1conc1COC)[C@@H]1CCS(=O)(=O)C1 1588041226 VVQGPPWLSIQANT-HXUWFJFHSA-N 469.567 2.317 30 10 JEEE C#CCN(c1nnc(COc2ccccc2CC)n1CCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1588069695 SMIKALMLLYLYLX-NRFANRHFSA-N 482.610 2.251 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H](C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1588074466 NEBRRAXHQDRRJK-ZDFPQIBNSA-N 472.611 2.433 30 10 JEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc([C@@H](C)O)cc1 1588123967 ABCIWUZLJNEIKF-GOSISDBHSA-N 462.579 2.413 30 10 JEEE C#CCN(CC)c1nnc(COc2ccc(C#N)cc2)n1C[C@H](N1CCOCC1)C(F)(F)F 1588445778 RSCVNMAJOOQICI-IBGZPJMESA-N 462.476 2.451 30 10 JEEE C#CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1588976226 STSAHERAJQULIP-GOSISDBHSA-N 473.002 2.039 30 10 JEEE C#CCSCCn1c(Cc2ccccc2F)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1589088776 IJGIHCXEMYALPP-QGZVFWFLSA-N 465.620 2.140 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCC(N(C)C(C)=O)CC2)nnc1[C@]1(OCC)CCOC1 1589579976 NAKFHRJCNYTVKG-PTLVVNQVSA-N 461.607 2.359 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1595506773 MGKKKTZCKUGDDE-FQEVSTJZSA-N 479.585 2.220 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N(C)[C@@H](C)c1cccc(N2CCOC2=O)c1 1595530026 QCFVPJDDRSJRCH-INIZCTEOSA-N 462.514 2.191 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Br)s2)nnc1N1CC[C@H](C(=O)OC)C1 1595773254 VUDNIOHWIYBQFQ-LBPRGKRZSA-N 489.417 2.369 30 10 JEEE CC(=O)N1CCC[C@H](Cn2c(-c3csc(N4CCOCC4)n3)nnc2N(C)[C@H](C)CC#N)C1 1596062929 CZMOTQPQMITYNZ-AEFFLSMTSA-N 472.619 2.235 30 10 JEEE CN1CCCC(C)(C)[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)CC1 1618473346 AATDJOZLNHIVGE-HXUWFJFHSA-N 456.616 2.418 30 10 JEEE CO[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](N2CCOCC2)C(F)(F)F)C1 1620142145 FEZCGQIDJQOXGI-RBUKOAKNSA-N 480.491 2.217 30 10 JEEE N#Cc1ccccc1Oc1ccc(NC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)cc1F 1620500409 DIWSHTXPULKCKK-NVXWUHKLSA-N 457.483 2.464 30 10 JEEE N#Cc1ccccc1Oc1ccc(NC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)cc1F 1620500410 DIWSHTXPULKCKK-RDJZCZTQSA-N 457.483 2.464 30 10 JEEE C=CCCC[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1)C(=O)OC 1644819532 LJXAXBQMODPCQP-FQEVSTJZSA-N 450.557 2.304 30 10 JEEE CC(=O)N1CCC(NC(=O)CN2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)CC1 1660441949 ORDNOWCZUGPFBJ-VXGBXAGGSA-N 451.358 2.216 30 10 JEEE C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N(C)C[C@]2(O)CCN(Cc3ccccc3)C2)cc1 1676356138 DDPLCEAYELBJEL-WZONZLPQSA-N 456.568 2.473 30 10 JEEE COc1ccc(S(=O)(=O)N2CCC(NC(=O)N3CCC[C@](C)(C#N)C3)CC2)cc1OC 1679169314 FGJIEFPTGXRQAE-OAQYLSRUSA-N 450.561 2.192 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)c1 1689872384 XGRZEUXURNVYRT-VHXPQNKSSA-N 475.553 2.059 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@H](C)CNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1689989635 HLILLBHCLDNIKL-QRVBRYPASA-N 495.646 2.307 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@H](C(C)C)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1689991676 BBGDQPLQSSELLE-FCHUYYIVSA-N 470.643 2.011 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1Cc1nnc2n1CCCCC2 1690095634 XWBCQRBNGMDIOE-UHFFFAOYSA-N 487.406 2.498 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@H](C)CN2CCOCC2)CC1 1690112026 OPPVWJYLRJKMCV-NHCUHLMSSA-N 470.593 2.281 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC2(O)CCCCC2)CC1 1690124711 RXXPQRHADVKCJU-FQEVSTJZSA-N 488.633 2.037 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CC(=O)N(CCOC)C1 1690196596 QKTZYDVHHCMANW-UZUQRXQVSA-N 452.515 2.340 30 10 JEEE C=CCC(C)(C)Cn1c(N2CCC3(CC2)NC(=O)N(C)C3=O)nnc1[C@]1(OC(C)C)CCOC1 1690439921 SMDBCZVLQUQVCL-DEOSSOPVSA-N 474.606 2.442 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(Cl)cc1OC 1690597433 TUVGPGCRGOBZKT-LJQANCHMSA-N 482.006 2.500 30 10 JEEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1690643706 PPIJLMCDVOMOLG-FQEVSTJZSA-N 487.649 2.321 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC[C@@H]2[C@H]2CCCO2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1690677024 KZYJWSSOGBLYKU-FCGDIQPGSA-N 474.606 2.499 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCO[C@H](COC(C)C)C1 1690724158 JDEZIIGQYONVCK-GHTZIAJQSA-N 492.598 2.022 30 10 JEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](CN2CCCC[C@H]2C)C1 1705524835 SUMFEOZIZYMKKE-AABGKKOBSA-N 450.653 2.393 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CCS(=O)(=O)CC1CC1)[C@@H]1CCS(=O)(=O)C1 1705562526 DUOOWMKGXUSHHP-LJQANCHMSA-N 497.042 2.050 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccc(OC)cc3)n2CC(C)(C)OC)CC1 1705650534 SURYWQDJEZTMBL-UHFFFAOYSA-N 453.587 2.463 30 10 JEEE C#CCSCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)CCS(C)(=O)=O 1705659197 OCZZRYDCFHDZPT-UHFFFAOYSA-N 488.639 2.083 30 10 JEEE C#CCSCCn1c(N2CCN(c3ccc(C#N)cn3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1705665323 QJZSKTSJQPFFQJ-XMMPIXPASA-N 481.626 2.278 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(S(C)(=O)=O)CC1 1705674254 CXBBUYFGEQTNAV-HTAPYJJXSA-N 493.630 2.156 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC(=O)N1CCOCC1 1705863931 LIBMKWJYHSXEQW-HSZRJFAPSA-N 475.615 2.432 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@H]2OCC[C@H]2COC)n1CC(=O)N1CCOCC1 1705867116 HYRWXMCINGUTAA-PXNSSMCTSA-N 461.588 2.115 30 10 JEEE C=CCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC[C@H](CNC(C)=O)C1 1705892457 IGBODWKQLRCZFK-JOCHJYFZSA-N 451.619 2.181 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1705895887 WHISRMWKZHYDEX-OYHNWAKOSA-N 463.485 2.233 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H]2CC[C@H](CO)O2)C1 1705927588 AXEYACUTIHYNLT-UJMXGEILSA-N 477.606 2.370 30 10 JEEE Cc1ccc(C)c(OCc2nnc(N(C)[C@H](C)CC#N)n2CC2(O)CCS(=O)(=O)CC2)c1 1707326099 FTQCGKWONHXHAY-GOSISDBHSA-N 461.588 2.152 30 10 JEEE N#Cc1ccc(-c2nnc(N3CCC(O)(C(F)(F)F)CC3)n2CC(=O)NCC(F)(F)F)cc1 1712879614 HFIZTUGMLLILKQ-UHFFFAOYSA-N 476.381 2.389 30 10 JEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 1722332915 PYWOLMPCCJWARB-MSOLQXFVSA-N 465.620 2.429 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1CCCCN(C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1722359764 AUALOZKPLPITNX-OAQYLSRUSA-N 479.610 2.278 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@](C)(O)c1cc(C)oc1C)[C@@H]1CCS(=O)(=O)C1 1722359944 BLQNXUGJNBQOTE-DVECYGJZSA-N 483.594 2.393 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@]1(C)CN(C)C1=O)[C@@H]1CCS(=O)(=O)C1 1722364648 MEBJTPURFXLKKZ-WZOHSFFVSA-N 499.637 2.140 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CCN2CCN(Cc3ccccc3)CC2)CC1 1722445351 VSLQFPBJAZHVGQ-UHFFFAOYSA-N 491.684 2.359 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccc2OC)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1722495347 GQNRAAIDWNYLTE-SIKLNZKXSA-N 496.612 2.108 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CCS(=O)(=O)CC1 1722503072 KUAKLSCKFVVJJR-UGKGYDQZSA-N 460.600 2.288 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@]2(CCOC2)C1)C(C)C 1722663043 QLCOGBXSJGBJJS-SQJMNOBHSA-N 472.634 2.208 30 10 JEEE CC(C)N(CCn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1)C(C)C 1723541364 DIYHZZDAUDXBAW-FQEVSTJZSA-N 474.631 2.471 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC1Cc2ccccc2C1 1723778166 DTZZQCGKUQGSJZ-UWJYYQICSA-N 472.615 2.154 30 10 JEEE C#CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1740571988 XGQLMRIFSTUQHR-LJQANCHMSA-N 461.570 2.300 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1740633722 QWQBWYGPMKYYPQ-YADHBBJMSA-N 462.579 2.094 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(C)oc2ccccc12 1740657098 PJALEFIJHCEBQI-JOCHJYFZSA-N 481.578 2.177 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cn4ccccc4n3)n2CCN(C)[C@@H](C)CC)CC1 1740707047 MQYBKTKXISXBKB-FQEVSTJZSA-N 476.629 2.213 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@@H](c2ccc(C)cc2)N2CCOCC2)CC1 1740707568 HPAVAESJCJIPLG-DEOSSOPVSA-N 494.640 2.162 30 10 JEEE C#CCSCCn1c(-c2ccc3ccccc3n2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1740713487 GDBOPYVCUXVNGW-SFHVURJKSA-N 470.624 2.378 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(C(=O)N2CCCC2)CC1 1740956459 LUHZLJIDQBQTJN-UHFFFAOYSA-N 457.966 2.135 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CCC(NC(C)=O)CC1 1740987262 QYZJYNIRYLYZEM-UHFFFAOYSA-N 451.980 2.304 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1740988070 SBBVHZXCSUBHFA-MSOLQXFVSA-N 461.544 2.317 30 10 JEEE CC(C)(C)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1741172612 DNVOWLXGGYIJEC-OAQYLSRUSA-N 485.658 2.051 30 10 JEEE C[C@H](CC#N)N(C)c1nnc(CN2CCCC2=O)n1Cc1ccccc1CN1CCOCC1 1741804535 FAIOXBCRUGGEAX-LJQANCHMSA-N 451.575 2.019 30 10 JEEE CCC[C@@H]1C[C@H]1n1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1745856471 BGFRRSZPKFJRMU-IOMROCGXSA-N 471.631 2.443 30 10 JEEE CCO[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CC2CN(C(=O)OC(C)(C)C)C2)CCOC1 1746695375 DDILNEPJOLTCHG-FGZHOGPDSA-N 464.542 2.239 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[C@H]2CCCCO2)c1 1748692064 CQWJHNMWMRMSCP-PZJWPPBQSA-N 485.610 2.196 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@H](OC)c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1748818361 ASEAXDZWAVQOMJ-YADHBBJMSA-N 483.569 2.417 30 10 JEEE COc1cccc(C(=O)NCCn2c(Cn3nc(C)cc3C)nnc2N(C)C[C@@H](C)C#N)c1 1748889065 CSIGYRZJYFGCRL-INIZCTEOSA-N 450.547 2.174 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1Cc1cccc(CS(C)(=O)=O)c1 1749049308 IMKCKYKQNPETRP-HSZRJFAPSA-N 455.584 2.099 30 10 JEEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1749232924 XZTBGAAAAZHCOR-ZRZAMGCNSA-N 495.672 2.483 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1749677988 RIOIPGFRQIUPLE-GOSISDBHSA-N 475.615 2.080 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCN(CC2CCOCC2)CC1 1749725132 QLRBHPQPURWMHS-UHFFFAOYSA-N 489.642 2.103 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@H](NC(C)=O)C1 1749727169 OSMRTFKVXNJRQI-IBGZPJMESA-N 468.583 2.199 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1749731425 DFLOJGKPGYOOIE-UHFFFAOYSA-N 471.583 2.269 30 10 JEEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CC2)CC(C)(C)O1 1752387531 HZPYEKKJEMNHMN-MRXNPFEDSA-N 459.572 2.310 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCC1CC1)[C@@H]1CCS(=O)(=O)C1 1760181518 WSBFORNUIMPKLU-GOSISDBHSA-N 474.583 2.398 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCCN(C)CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1760186517 CXRXWSHAXWHDRP-SJORKVTESA-N 477.553 2.031 30 10 JEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1CCO[C@H](C)C1 1760196494 OTIDPTKVVYJJME-MJGOQNOKSA-N 454.600 2.435 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1Cc1cccc(CS(C)(=O)=O)c1 1760204956 ITEBIQZNVQZGIQ-UHFFFAOYSA-N 453.593 2.300 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)CC1 1760273074 HNHCTEWAXVFPOL-UYAOXDASSA-N 488.633 2.426 30 10 JEEE C#CCSCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1760285705 OSMFVSNHTSNZEB-HXUWFJFHSA-N 482.610 2.313 30 10 JEEE C=C(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(CCOCC)[C@@H](CC)C1 1760343664 LGDCRLGDWMVKOL-FQEVSTJZSA-N 451.579 2.434 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCNC(=O)c2occc2C)CC1 1760402552 NCWSAMYRLUTVHO-GOSISDBHSA-N 461.588 2.304 30 10 JEEE C=CCCCCn1c(Cc2ccccn2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1760426959 JIOPQJOAGCFKCJ-UHFFFAOYSA-N 484.630 2.173 30 10 JEEE C=CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCCN(S(C)(=O)=O)CC1 1760428366 URQXDAGGVZJMQE-UHFFFAOYSA-N 488.662 2.280 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCCN(Cc2nc([C@H](C)OC)no2)CC1 1760520551 RQYNOMXVLLHEGZ-KRWDZBQOSA-N 498.563 2.189 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(CC2CC2)CC1 1760524387 WPRGTDMSXYMOLA-HXUWFJFHSA-N 487.649 2.227 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N(C)C[C@H]1CN(CC)c2ccccc2O1 1760525839 UEKAIABGKQRVBR-FQEVSTJZSA-N 461.570 2.290 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC(=O)NC2CCCCC2)C1 1760535287 OCQPARZMHLAAAH-GOSISDBHSA-N 453.547 2.156 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCC(C)(C)O)C1 1760538171 CEQDMMPTPQAGRX-SFHVURJKSA-N 463.604 2.138 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3OC)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1760540794 OUOFRJGZGXAXRV-JHGXHUTESA-N 464.526 2.261 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1760551159 VISMDBRNJBDENH-IBGZPJMESA-N 473.599 2.146 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1760552558 SBYNXNUULMMRDZ-INIZCTEOSA-N 470.592 2.089 30 10 JEEE CCc1cnc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)s1 1762690088 CTOWSYNZMVZMQJ-UHFFFAOYSA-N 459.601 2.363 30 10 JEEE C=CCN(CC=C)C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)c1cc(OC)c(OC)c(OC)c1 1862131057 COIXTXYAJSRRQT-NRFANRHFSA-N 495.576 2.370 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@@H]2c2ccc(O)c([N+](=O)[O-])c2)cc1C 1862406846 ZDEDHCQCKPGAHR-HXUWFJFHSA-N 469.450 2.332 30 10 JEEE O=C(C1=C(O)C(=O)N(CCCO)[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccc(F)cc1 1862684989 LFJQWZJPXKSYLT-LJQANCHMSA-N 458.398 2.466 30 10 JEEE CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1862762528 MGJDGJDIKGYOHG-HXUWFJFHSA-N 498.448 2.414 30 10 JEEE C[C@@H](C(=O)Nc1c(C#N)nnn1-c1ccc(N2CCCC2)cc1)N1C(=O)c2ccccc2C1=O 1870142709 JJCKMXIRWHUUPO-HNNXBMFYSA-N 455.478 2.362 30 10 JEEE N#Cc1nnn(-c2ccc(C(F)(F)F)cc2)c1NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1870155588 VBMQRFYQAASDCC-UHFFFAOYSA-N 485.338 2.301 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NC[C@H]2CCCO2)cn1Cc1ccncc1 1870541421 DTTMMLLBVJXHGC-JOCHJYFZSA-N 452.555 2.140 30 10 JEEE C=CCn1cc(OCC(=O)NC[C@H]2CCCO2)c(=O)cc1CN1CCN(c2ccccc2OC)CC1 1870542616 XJHDAGVIHRIFJG-JOCHJYFZSA-N 496.608 2.039 30 10 JEEE C=CCn1c(C(=O)Nc2cc(OC)cc(OC)c2)cc2c(N3CCN(CCO)CC3)ncnc21 1873661572 YVNBZAHCGNSURP-UHFFFAOYSA-N 466.542 2.001 30 10 JEEE COc1cc(/C=N/n2c(CNC(C)=O)nnc2SCc2nc(O)c3ccccc3n2)ccc1O 1874434780 WTQDTRZRRQHKOO-YSURURNPSA-N 479.522 2.452 30 10 JEEE COc1ccc(/C=N/n2c(CNC(C)=O)nnc2SCC(=O)NCc2ccccc2)cc1 1874436047 JJMRGJGCWNGGPV-DHRITJCHSA-N 452.540 2.214 30 10 JEEE Cc1nnc(SCC(=O)Nc2nccs2)n1/N=C/c1cc2c(cc1[N+](=O)[O-])OCCO2 1874532135 TWFVKXAFLYYMLV-UFWORHAWSA-N 461.485 2.335 30 10 JEEE N#Cc1nccnc1OCC1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)CC1 1891999389 MSGNPKMRINXAQH-SFHVURJKSA-N 487.557 2.206 30 10 JEEE CC(C)N1C(=O)CS[C@H](C(=O)N2CC[C@H](Oc3cnsn3)C2)[C@@H]1c1ccc(C#N)cc1 1892155273 UROMYZFGDMBIQL-VDGAXYAQSA-N 457.581 2.483 30 10 JEEE Cc1cnc(N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2S(C)(=O)=O)c(B2OC(C)(C)C(C)(C)O2)c1 2241050688 ZLVSVCXMFODTIH-SJORKVTESA-N 481.424 2.134 30 10 JEEE CC1(C)OB(c2cc(S(=O)(=O)NCCNC(=O)OCc3ccccc3)ccc2F)OC1(C)C 2247901685 OBPXJRYYHHSIOS-UHFFFAOYSA-N 478.351 2.330 30 10 JEEE CC(C)(C)OC(=O)NCCNS(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2247905186 SLXIWJPJDFZAHY-UHFFFAOYSA-N 460.789 2.442 30 10 JEEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)[C@H]2C[C@H]21 2255799600 KXBAZRKKBSUZTG-CABCVRRESA-N 470.422 2.430 30 10 JEEE CC(C)(C)OC(=O)N1[C@@H](COc2nccc(B3OC(C)(C)C(C)(C)O3)c2F)CCS1(=O)=O 2266000262 ISHROKQKOPLTOT-CYBMUJFWSA-N 472.344 2.238 30 10 JEEE CC(C)(C)OC(=O)NCCOCCOCCNc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2266061487 OSFLWPVXCWGCQO-UHFFFAOYSA-N 451.373 2.351 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(Cl)ccc2B2OC(C)(C)C(C)(C)O2)C1 2267010168 RKGKTHIACQYONJ-IAGOWNOFSA-N 466.771 2.349 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N=[S@@](C)(=O)C1CN(C(=O)OC(C)(C)C)C1 2267275931 VFDGAQWTPNXXCE-YTTGMZPUSA-N 467.397 2.182 30 10 JEEE CC(C)C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2267510475 LPXQQBQOCPFCDJ-HNNXBMFYSA-N 450.389 2.389 30 10 JEEE C[C@@H](CCN(C)C(=O)OC(C)(C)C)N(C)C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2267525796 JNVMKVRMUXXBOI-HNNXBMFYSA-N 450.389 2.437 30 10 JEEE CC1(C)OB(c2cncnc2C(=O)NC2CC3(C2)C[C@@H]3NC(=O)OCc2ccccc2)OC1(C)C 2267607924 RGZNUOKSKLADCE-HTHJYTGDSA-N 478.358 2.353 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(C(=O)Nc3cc(B4OC(C)(C)C(C)(C)O4)ccn3)CO[C@H]1C2 2280874440 YORDOMROMBNLEZ-SYJLOODJSA-N 459.352 2.392 30 10 JEEE Cn1ncc(C(=O)N[C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]32)c1B1OC(C)(C)C(C)(C)O1 2281813480 CZQFEEMYEZYCGF-HMXCVIKNSA-N 450.392 2.360 30 10 JEEE Cc1ccnc(C(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)c1B1OC(C)(C)C(C)(C)O1 2282009068 MQPVAFVWZVCJPI-FQEVSTJZSA-N 451.376 2.320 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2CN(C(=O)c3ncc(B4OC(C)(C)C(C)(C)O4)cn3)C[C@]2(C)C1 2282030090 AGOPJRHSRLWDOH-IQMFZBJNSA-N 458.368 2.105 30 10 JEEE Cc1ccc(C(=O)N2C[C@H](O)C[C@@H]2CNC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2282119180 OKWYNRQGNOQBCJ-QZTJIDSGSA-N 460.380 2.394 30 10 JEEE CC(C)(C)OC(=O)N1CCOCCN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2282323291 AJLGQOIVUIKYDY-UHFFFAOYSA-N 486.371 2.298 30 10 JEEE CC1(C)OB(c2ccccc2S(=O)(=O)N2CCC(CNC(=O)C(F)(F)F)CC2)OC1(C)C 2282343208 OWHHZXXICKYIIS-UHFFFAOYSA-N 476.326 2.065 30 10 JEEE C[C@H]1C[C@@H](CNC(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CN(C(=O)OC(C)(C)C)C1 2282536157 YUESKBHORMTCGS-HOTGVXAUSA-N 462.400 2.342 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCCO[C@H]2[C@@H]1NC(=O)c1coc(B2OC(C)(C)C(C)(C)O2)c1 2282536976 JRJZJVWTVPOUNL-DZOHQFGASA-N 462.352 2.379 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N=S2(=O)CCN(C(=O)OC(C)(C)C)CC2)n1 2282590764 GQUZVVXTBWNUAR-UHFFFAOYSA-N 482.412 2.061 30 10 JEEE Cc1c(C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282592839 IQLHGZFDTSFPIY-GOEBONIOSA-N 462.400 2.403 30 10 JEEE Cn1nc(C(=O)N[C@H]2[C@@H]3[C@@H]2CCCCN3C(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2282627284 HGXCYAKJJBJWCT-OLMNPRSZSA-N 460.384 2.237 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2CCO[C@@]2(CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)C1 2282627339 MMDQPXCKARAFJM-CMJOXMDJSA-N 462.352 2.335 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)[C@@H](NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)C2 2282679184 WRJCDAYMAJZRIM-ZOBUZTSGSA-N 458.368 2.151 30 10 JEEE C#CCOC(=O)NS(=O)(=O)c1ccc(CCNC(=O)C=Cc2ccc([N+](=O)[O-])cc2)cc1 2331004562 PLVQARQUHFPFBN-UHFFFAOYSA-N 457.464 2.015 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](CN=c2cc(B3OC(C)(C)C(C)(C)O3)c(F)c[nH]2)C[C@@H]1O 2345739651 SYNXEDZZGGGPHQ-XKQJLSEDSA-N 451.348 2.018 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H]2CC[C@H]1N2C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2359279842 IGPNIXWTLXFMCL-HLLBOEOZSA-N 458.368 2.294 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC([C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 2362346030 MMSFDBKKWJBHFN-HNNXBMFYSA-N 460.384 2.048 30 10 JEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CC(=O)N2CC[C@](C)(B3OC(C)(C)C(C)(C)O3)C2)C1 2368348724 KSVSGIHHFCJMNT-AOMKIAJQSA-N 486.440 2.495 30 10 JEEE C=CCSc1nnc(NC(=O)CSc2nnc(N/N=C/c3cccc(O)c3)n2N)s1 20914804 SRKIZZTWSQHMLJ-QGMBQPNBSA-N 463.574 2.004 30 10 JEEE CCOC(=O)/C(=C/c1cc(Cl)c(O)c(OC)c1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O 33498959 PLHKCBPMRYHVJB-RIYZIHGNSA-N 479.894 2.415 30 10 JEEE C=CCOC(=O)C1=C(C)N=c2sc(=Cc3cccnc3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 252676951 XYXBCDCYEIMCOW-QFIPXVFZSA-N 477.542 2.377 30 10 JEEE COc1ccc(C=NNc2nnc(SCC(=O)Nc3cccc([N+](=O)[O-])c3)n2N)cc1OC 1084277741 KFJNLLZTJYSMER-UHFFFAOYSA-N 472.487 2.094 30 10 JEEE CCn1c(NC(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)nc2cc(C#N)ccc21 1127662582 GKSGWOQCNAAWOE-UHFFFAOYSA-N 457.487 2.340 30 10 JEEE C#C[C@@H]1COCCN1C(=O)c1cc(O)nc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc12 1142007982 KRDFFHVMLYXIJE-MRXNPFEDSA-N 455.467 2.355 30 10 JEEE C#CC[C@]1(C(=O)N2CCN(Cc3ccc(C(N)=O)cc3)CC2)CCCN1C(=O)OC(C)(C)C 1144170529 PIVKGNBRAZWUMC-RUZDIDTESA-N 454.571 2.223 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@@](C)(O)c1ccco1)[C@@H]1CCS(=O)(=O)C1 1286381243 FRSLMEQGWOOYRO-WZONZLPQSA-N 470.551 2.081 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@](C)(O)c1cccs1 1286401060 IKYGWVGRZAIESW-QFIPXVFZSA-N 454.577 2.391 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cccc(O)c1 1286466684 IOELRSWKXNJZPN-FQEVSTJZSA-N 471.558 2.426 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2cccc(C(OC)OC)c2)CC1 1286473598 UPQMHLZTZAZQNI-SANMLTNESA-N 483.613 2.414 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@@H]2COCCO2)CC1 1286474992 PPLKBMRPLSIWJF-GOSISDBHSA-N 460.376 2.187 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H]2N(C)CCCC2(C)C)CC1 1286486078 HNJKSTYPJLPRHM-NRFANRHFSA-N 485.677 2.283 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CC(C)(C)O)CC1 1286489536 WQQDIZCNTBOUBC-UHFFFAOYSA-N 455.559 2.089 30 10 JEEE C#CCSCCn1c(-c2ccccc2C)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1286499895 PTSGOZRCXJUZFM-UHFFFAOYSA-N 452.628 2.364 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1286546599 KCCSFPHOGLAOGP-IAGOWNOFSA-N 488.618 2.104 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1286558380 OJMNZGDYYOQDMP-QFBILLFUSA-N 466.633 2.098 30 10 JEEE C=C(C)Cn1c(-c2cnccn2)nnc1N1C[C@@H](C(=O)OC)[C@H](CNC(=O)OC(C)(C)C)C1 1286592097 JBQZYSVDYAWRLN-HZPDHXFCSA-N 457.535 2.061 30 10 JEEE C=C(C)COCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1286604183 OTTJUTPPFOJNKK-INIZCTEOSA-N 450.561 2.178 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(O)(Cc2ccc(F)cc2)CC1 1286608227 NSWZSAWEKRSEMF-HXUWFJFHSA-N 492.617 2.486 30 10 JEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC[C@@H](C2CCC2)C1 1286687219 HMVDADQMFRKKBR-PMACEKPBSA-N 467.636 2.220 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N(C)[C@H]1CCCc2c1cnn2C 1286792231 RLEGYFHATJDLHI-FQEVSTJZSA-N 465.558 2.415 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 1286820800 RXIVVMRMFVKGGT-VQTJNVASSA-N 462.620 2.428 30 10 JEEE CCO[C@]1(c2nnc(N(CCC#N)CC3CC3)n2C[C@H]2CCCCS2(=O)=O)CCOC1 1296568888 HSLICZBWWDWABN-WIYYLYMNSA-N 451.593 2.028 30 10 JEEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1Cc1cc(OC)c(OC)c(OC)c1 1300471391 ACTHHJJLBBKJNU-UHFFFAOYSA-N 455.540 2.413 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1cccc(Br)n1)[C@@H]1CCS(=O)(=O)C1 1300487227 IFWGJKLXYYQLJF-OAHLLOKOSA-N 475.372 2.106 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC(C)(C)COC)[C@@H]1CCS(=O)(=O)C1 1300503138 ATEUISZDTGZQTR-GUDVDZBRSA-N 466.648 2.496 30 10 JEEE C#CCN(CC#CC)c1nnc(COc2ccc(Cl)cc2)n1CCNC(=O)c1cc[nH]n1 1300591831 XDRIUZNYVKWXIY-UHFFFAOYSA-N 451.918 2.127 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(Br)cc3)n2C[C@@]2(O)CCSC2)CC1 1300708287 QHEOAPNZRAKIPX-NRFANRHFSA-N 492.443 2.243 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1300843850 GXDPTCFKHOUIMY-ZDUSSCGKSA-N 465.312 2.084 30 10 JEEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1301188446 JTXNRMOGHVKKIT-GJZGRUSLSA-N 463.526 2.041 30 10 JEEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(c2cccnn2)CC1 1301207070 POALGZQPMLWDIB-UHFFFAOYSA-N 453.572 2.431 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1C[C@H](C(=O)NCCCC)CC[C@H]1C 1301492304 DJCVZSCROIYZSI-IEBWSBKVSA-N 482.585 2.497 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCCN(c2nccc(OCC)n2)CC1 1301589852 YTKDXMZNSIECJG-UHFFFAOYSA-N 491.662 2.373 30 10 JEEE C=CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](NC(C)=O)C1 1301600444 AHJLSPIXLCIFOX-GOSISDBHSA-N 463.629 2.373 30 10 JEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 1358904895 OCUMQAXDTIMADA-KRWDZBQOSA-N 478.644 2.024 30 10 JEEE C#CCCCCn1c(N2CC[C@@H](C(=O)NCC(F)(F)F)C2)nnc1[C@]1(OCC)CCOC1 1358917515 SQMATBLVNXKCDJ-UZLBHIALSA-N 457.497 2.239 30 10 JEEE C#CCN(c1nnc(C(C)C)n1C[C@H]1CC(=O)N(c2ccccc2)C1)[C@H]1CCS(=O)(=O)C1 1358955623 PVVPRWZTPTZRDG-ICSRJNTNSA-N 455.584 2.081 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCCCO2)n1CCNS(=O)(=O)c1ccc(C)s1 1358993562 QTRPESQNHZOMSK-GOSISDBHSA-N 461.613 2.331 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H](F)COC)CC1 1359035328 QWEPKTLHNARQCP-MOPGFXCFSA-N 464.586 2.132 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2c(Cl)cccc2OC)CC1 1359043756 HGWJNCDPOKWGOM-UHFFFAOYSA-N 467.961 2.355 30 10 JEEE C#CCSCCn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1359049927 YZIOCGDVKDBFMY-QZTJIDSGSA-N 470.599 2.397 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC1(O)CCC1 1359261130 XOLQKCYUUVEVCG-HXUWFJFHSA-N 493.605 2.248 30 10 JEEE C=CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1359289093 APWOJTOALIPBBL-UHFFFAOYSA-N 455.588 2.145 30 10 JEEE C=CCn1c(Cn2ccc3ccccc32)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 1359289367 ZLVFWIVYLFTZFJ-UHFFFAOYSA-N 472.615 2.344 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(C)nc3ccccc23)nnc1N1CC[C@](C)(C(N)=O)C1 1359328045 RNDLEIDRQQIBPE-QHCPKHFHSA-N 468.583 2.104 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@@H](c2nnc(N3CC[C@](F)(C#N)C3)n2CCCS(C)(=O)=O)C1 1359555734 BCIXBSYGTPGZOA-IERDGZPVSA-N 484.598 2.269 30 10 JEEE C=CCOc1ccc(CNC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCOCC2)cc1 1436193007 HFWVYIOSDHYMRP-UHFFFAOYSA-N 459.568 2.268 30 10 JEEE Cc1cc(O)nc(N2CCC[C@H](NS(=O)(=O)c3cc(Br)cc(C#N)c3)C2)n1 1464525818 HXYMXKKSMNFEGO-AWEZNQCLSA-N 452.334 2.072 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccc(-c2ccsc2)nc1)[C@@H]1CCS(=O)(=O)C1 1507623467 XQCLXWAFJJOOLS-LJQANCHMSA-N 498.634 2.215 30 10 JEEE C#CCN(c1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1cnnn1C)[C@@H]1CCS(=O)(=O)C1 1507628010 MJLKLQQSYJFFQT-LJQANCHMSA-N 467.599 2.046 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1Cc1ccc(O)cc1)[C@H]1CCS(=O)(=O)C1 1507635311 RTDYOSFXXLNMRW-SFHVURJKSA-N 457.581 2.014 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCN(C2CC2)C1 1507662214 FTRIXLVUBNUYLG-IBGZPJMESA-N 451.596 2.296 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(N(C)C)CCC1 1507701072 YCMLZRWUMRFMJX-KRWDZBQOSA-N 462.595 2.152 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CC(C)(C)N2C[C@@H](C)O[C@H](C)C2)CC1 1507736731 QRKUZZBXTZKZBS-RTBURBONSA-N 467.618 2.127 30 10 JEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 1507740449 AGNMOZHESBNXCV-SFHVURJKSA-N 460.648 2.259 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CSc3ccc(C)cc3)n2CC(=O)NCC=C)CC1 1507740965 IENZTDINHCQSAX-UHFFFAOYSA-N 466.611 2.147 30 10 JEEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C(=O)NCC)CC1 1507743919 FMWFBBVMFCFZCK-UHFFFAOYSA-N 458.588 2.180 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1507745010 YWAVADMLSAKSRO-QGZVFWFLSA-N 469.615 2.423 30 10 JEEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1507756969 SNAGYMAACQXWMF-FQEVSTJZSA-N 489.667 2.248 30 10 JEEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCN(c2nc(C)cc(OCC)n2)CC1 1507845137 WWQJQJTWHHUWKI-IBGZPJMESA-N 457.579 2.198 30 10 JEEE C=C(C)COCCn1c(N2CCN(C)C(=O)[C@H]2C)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1507848837 OYVGBGZBXXYEOJ-KURKYZTESA-N 462.595 2.308 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@H](COCC)C1 1508145529 MQSOCMGEPDOUFX-FXAWDEMLSA-N 462.572 2.254 30 10 JEEE C=CCSCCn1c(-c2ccccc2OC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1508153029 FYNUVPDTOJYTDM-KRWDZBQOSA-N 456.572 2.346 30 10 JEEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C[C@H]2CCOC2)C1 1517624091 ARPVEGQXWYLUIB-RBUKOAKNSA-N 458.588 2.009 30 10 JEEE COCC[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1519007159 GBGJVEAESBEPGD-OALUTQOASA-N 459.572 2.026 30 10 JEEE N#Cc1ccc(O[C@H]2CCN(C(=O)[C@H]3CCCN(S(=O)(=O)Cc4ccccc4)C3)C2)nc1 1523932547 CVBFZZQSGSFENB-SFTDATJTSA-N 454.552 2.175 30 10 JEEE C#CCNC(=O)C1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)CC1 1530233909 BRIBDEFBAFNLDQ-UHFFFAOYSA-N 459.612 2.199 30 10 JEEE C#CCN(CC)c1nnc(COc2ccc(Cl)cc2Cl)n1CC(=O)N1CCOCC1 1539383056 YUTMMODIOKBIQN-UHFFFAOYSA-N 452.342 2.482 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1539462831 LQTKOBODZDCJMT-FDFHNCONSA-N 499.660 2.063 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCCO[C@H]2C(C)C)CC1 1539466733 FIZGGHANCFMEPA-IRLDBZIGSA-N 493.612 2.342 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OC)n2CCn2ccnc2C)CC1 1539488540 AOKHWWGLCQREAS-UHFFFAOYSA-N 477.569 2.037 30 10 JEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)N(C)CCCC)CC1 1539490440 VEKXHMVTNNSWKF-UHFFFAOYSA-N 460.648 2.355 30 10 JEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(CC(=O)Nc2c(C)cccc2C)CC1 1539491342 OZPAOFUEGFNHHV-UHFFFAOYSA-N 497.669 2.160 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1539492104 ZTOITENZYHOSKL-KRWDZBQOSA-N 466.571 2.442 30 10 JEEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccc1Cl 1539518234 WWRDEKMGWWDPNI-GOSISDBHSA-N 484.047 2.267 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1cccc(F)c1)N(C)C 1539669852 VKUGGNATDCDJGU-RTWAWAEBSA-N 494.637 2.455 30 10 JEEE C=C(Cn1c(N2CCC(OCC(N)=O)CC2)nnc1[C@]1(OCC)CCOC1)c1ccccc1 1539769856 CLQIKVUKHJCXEK-DEOSSOPVSA-N 455.559 2.114 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1540874686 OHFYSMQGDUKGMM-RTBURBONSA-N 452.559 2.024 30 10 JEEE C=CCNC(=O)Cn1c(N2CC[C@H]([C@H]3CCOC3)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1540875923 BWMKCDWMJXKPLB-CADBVGFASA-N 474.606 2.214 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@]2(O)CCO[C@@H]2C)C1 1540882666 MTJUIBJYGVZCNG-HFXUHXBXSA-N 475.977 2.183 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1540905042 QBYHTBJEBQTJAV-IBGZPJMESA-N 493.033 2.163 30 10 JEEE C=CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@H](C(N)=O)C1 1540916638 DGASGTBIAHKFMJ-SFHVURJKSA-N 456.620 2.073 30 10 JEEE COCC(=O)N1CCC2(CC1)CN(c1ccc(C#N)c(C(F)(F)F)c1)C[C@@H]2C(=O)N(C)C 1548379623 WHGQOXNUKWQEQQ-GOSISDBHSA-N 452.477 2.357 30 10 JEEE C#CCN(C)CCCNC(=O)NCc1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2)cc1 1564847149 HONHCCYFVYWMST-UHFFFAOYSA-N 457.619 2.494 30 10 JEEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CCN(C)Cc2ccccc2)CC1 1587798888 VBIWYXSJHXZYKZ-UHFFFAOYSA-N 463.630 2.182 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1Cc1ccccc1CN1CCOCC1 1588646134 GZJLGCUGQHBQNR-HSZRJFAPSA-N 453.587 2.139 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCCc2ccnc(C(C)(C)C)n2)CC1 1588752831 WXSZQUNFRQJYIR-AREMUKBSSA-N 481.645 2.406 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@H](F)COC)CC1 1588962075 STGPQPGNNHAFRE-FQEVSTJZSA-N 457.550 2.424 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](NC(=O)CCC)C1 1588975785 MBVJOWDEJUGNCZ-KRWDZBQOSA-N 455.588 2.177 30 10 JEEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1593712302 YGYFXERCRJKCTD-MBSDFSHPSA-N 476.599 2.326 30 10 JEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cc(F)ccc2N2CCOCC2)CC1 1594014701 VAJLFYBEPAXPMW-QGZVFWFLSA-N 478.594 2.069 30 10 JEEE C=C1CCN(c2nnc(Cc3ccccc3C)n2CCNS(=O)(=O)Cc2ccon2)CC1 1594102125 AEFUGDFJWKAXOX-UHFFFAOYSA-N 456.572 2.441 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@](O)(c1ccccc1)C(F)(F)F 1595296596 GSLGRFVXBUYCBO-OXJNMPFZSA-N 453.465 2.318 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1595490145 NSNHOQJHRQPLDO-VBKZILBWSA-N 479.379 2.112 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C(C)C)CC1 1595778033 UTZLIPOCRALHOC-UHFFFAOYSA-N 463.604 2.094 30 10 JEEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](N2CCOCC2)C(F)(F)F)CCO1 1612914351 BWIPFGXAXVJRQJ-QAPCUYQASA-N 450.465 2.305 30 10 JEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@]2(Cc2ccccc2)C(=O)OCC)cc1 1615097272 GDTSKQOGNKPBQS-DEOSSOPVSA-N 454.548 2.379 30 10 JEEE CN(C[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@](C)(O)c2ccco2)C1)S(C)(=O)=O 1618101602 GRKKGCMOFMVMSO-NTKDMRAZSA-N 498.609 2.425 30 10 JEEE CC(C)C[C@H](CNC(=O)OC(C)(C)C)NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 1628974704 HOMCPEPAWCTAAQ-DOTOQJQBSA-N 452.577 2.281 30 10 JEEE C=C[C@H]1CCCCN1CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC(C)C 1645464489 VOXDZEGMQXQNEP-SFHVURJKSA-N 451.589 2.474 30 10 JEEE N#Cc1cccc(CS(=O)(=O)NCC2(N3CCN(c4ccccc4)CC3)CCOCC2)c1 1669239350 IAWWRPUNHHPDLZ-UHFFFAOYSA-N 454.596 2.349 30 10 JEEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1CCCC1)[C@H]1CCS(=O)(=O)C1 1689982521 PDMRPMNZVAOSNT-IBGZPJMESA-N 476.624 2.166 30 10 JEEE C#CCN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1ccc(-n2cncn2)nc1 1690058415 VYKDGIWJIUCMON-UHFFFAOYSA-N 475.944 2.345 30 10 JEEE C=C(C)Cn1c(N2CCN(CC(=O)N3CCCC[C@H]3C)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1690297816 HNHQFUFSYHDMAB-PXDATVDWSA-N 474.650 2.418 30 10 JEEE C=C(C)COCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1690303431 YKSKOYDHGXKOJH-FUHWJXTLSA-N 471.558 2.278 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1CCN1CCN(C)C(C)(C)C1 1690565741 RPLZGSMBVDPLHV-NRFANRHFSA-N 451.619 2.448 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N(C)Cc1ccccc1N1CCOCC1 1690672784 DAJDVLFDURVMPO-UHFFFAOYSA-N 461.570 2.039 30 10 JEEE CC(C)(C)Cc1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1691164503 FUFWDTOLRHHISZ-XMMPIXPASA-N 451.575 2.260 30 10 JEEE CS(=O)(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCC(F)(F)C2)CC1 1698311732 FZCJSYWTSZWIBT-MRXNPFEDSA-N 450.515 2.334 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Br)n1CC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1705566148 ZBNPZWCADBMJFX-CQSZACIVSA-N 467.389 2.105 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1C[C@@H](CC)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1705570834 RWWYOLMYWGXYHB-QZTJIDSGSA-N 467.636 2.407 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CCC[C@H](O)C1)[C@H]1CCS(=O)(=O)C1 1705571646 DWCGQRRJHQETID-XDWAVFMPSA-N 478.659 2.375 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCn1cc(C)cn1)[C@@H]1CCS(=O)(=O)C1 1705572024 OZWOWACGXGQICQ-VAMGGRTRSA-N 474.631 2.029 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H](C(C)C)N1CCCC1 1705580866 RXOOYZDSJPIGKO-QFIPXVFZSA-N 457.582 2.385 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(C3CCCC3)n2C[C@@H]2CCCS(=O)(=O)C2)n1 1705631340 AYFPQOABNBANJU-IBGZPJMESA-N 474.631 2.243 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CC[S@](=O)C(C)(C)C)CC1 1705640200 IOVQKUBTVQMGBT-CGKQSPDFSA-N 457.600 2.093 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CC(C)(C)N2C[C@H](C)O[C@H](C)C2)CC1 1705648768 YKAGJJYCKVTJHB-RZUBCFFCSA-N 486.661 2.373 30 10 JEEE C=C(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(=O)C2CC2)CC1)c1ccccc1 1705741141 HDGNJQRUMBBTFY-GOSISDBHSA-N 472.615 2.050 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@](C)(O)c2cccc(Cl)c2)CC1 1705769297 OJLWDEFDGMZQHB-KNQAVFIVSA-N 496.033 2.329 30 10 JEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2cccc(F)c2)CC1 1705830009 IAHBNTCXTJJICT-HXUWFJFHSA-N 477.606 2.234 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1705904439 PIAZWIDIPZHIBX-ZWOKBUDYSA-N 498.584 2.442 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccnc3)n2C[C@@H](N2CCOCC2)C(F)(F)F)C1 1705918172 DMAJVJWPNBYQJW-ZWKOTPCHSA-N 452.481 2.385 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCN2CCOCC2(C)C)C1 1705919623 HNRDKJXPYVGFST-FQEVSTJZSA-N 489.642 2.241 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@@H](OCC(C)C)C1 1705934646 SMEDXQNMHMROMD-QGZVFWFLSA-N 486.598 2.446 30 10 JEEE CN(C)CC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1711009660 DVWMZFBAVKDHKR-JOCHJYFZSA-N 478.645 2.401 30 10 JEEE COCCN(CCC#N)c1nnc(-c2ccc3c(c2)OCCO3)n1CC(C)(C)N1CCOCC1 1712453200 FOMPIZRPSFSSCS-UHFFFAOYSA-N 470.574 2.194 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@H](C)N1CCOCC1 1722295591 XPBRSPMGNUTMDE-OALUTQOASA-N 463.586 2.415 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccc(Cl)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1722367295 MMHRDHIAMNEHEJ-SJORKVTESA-N 464.975 2.119 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC1CCC(OC)CC1)[C@@H]1CCS(=O)(=O)C1 1722368213 POONRTJEAUPZHD-WBFXSEPVSA-N 450.605 2.004 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2cccnc2OC)CC1 1722433512 YBZWHAKKXZVLPI-UHFFFAOYSA-N 456.348 2.243 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CC[C@@](C)(CC)O2)CC1 1722440114 CLJYBYDZDNJTIU-WZONZLPQSA-N 456.616 2.373 30 10 JEEE C#CCN1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1722440835 FFWXBUULQDSDNU-HXUWFJFHSA-N 473.668 2.459 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2Cc2nnc(CC)s2)CC1 1722449559 UVYJNMVWZPOZED-UHFFFAOYSA-N 479.610 2.306 30 10 JEEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(CCC(N)=O)CC1 1722493843 KMAXRXPFBJAJSJ-RDJZCZTQSA-N 456.385 2.393 30 10 JEEE C=C1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2cccc(S(=O)(=O)NC)c2)CC1 1722564123 IDOAYNABBPQETP-QFIPXVFZSA-N 461.588 2.043 30 10 JEEE C=CCNC(=O)Cn1c(N2CCN([C@H](C)c3ccsc3)CC2)nnc1[C@@]1(OCC)CCOC1 1722704691 WQAUJLBNPMJOPY-WZONZLPQSA-N 474.631 2.177 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Br)nnc1N1CCO[C@H](C#N)C1 1722725400 KVTCNKQDFYDMKA-CQSZACIVSA-N 466.361 2.037 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN(Cc2ccccc2OC)CC1 1722726063 YICBKIKPLPPTEF-UHFFFAOYSA-N 482.610 2.272 30 10 JEEE C=CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(C(=O)NC)CC1 1722734369 FCXMPNPVVQFGJO-UHFFFAOYSA-N 463.629 2.230 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCCO3)n2C[C@H]2NC(=O)CC2(C)C)c1 1740562306 IHSWEVVXNPUPEM-WOJBJXKFSA-N 464.570 2.491 30 10 JEEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)c2ccccc2OCC)CC1 1740579262 LYIPQPSIYKBKSW-UHFFFAOYSA-N 464.570 2.289 30 10 JEEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 1740600959 VBQQUPWXCWNJLO-RDPSFJRHSA-N 453.543 2.165 30 10 JEEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CCCC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1740619646 QBNDLPWKETWXDS-XMSQKQJNSA-N 452.621 2.383 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@H](C)N1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1740623394 SOOYZUONOOZKSW-SFTDATJTSA-N 470.643 2.396 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@H]1CSCCS1)[C@@H]1CCS(=O)(=O)C1 1740623606 XSEVIYUQJGBRPW-IAGOWNOFSA-N 463.654 2.124 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCCNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1740627113 OHOOEICQFITGJH-ZWKOTPCHSA-N 481.619 2.061 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccnc(OC2CCCCC2)c1 1740640360 LMNFDMUHSONERK-FQEVSTJZSA-N 467.595 2.408 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CC1(C(=O)N(C)C)CCCC1 1740653280 HLLKDTGXNKHIGK-UHFFFAOYSA-N 450.543 2.117 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCS(=O)(=O)C(C)(C)C 1740671306 DEXLXXWFLFHKJI-KRWDZBQOSA-N 483.635 2.259 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N(C)C)nc1 1740676757 LONGQVAJBQEOLT-HXUWFJFHSA-N 482.585 2.468 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(OCCCOC)cc2)CC1 1740696440 URDGCEIJRPVCGW-QFIPXVFZSA-N 453.587 2.391 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2Cc2ccc([C@H](C)O)cc2)CC1 1740707358 ZCMREHFNQZYOPT-IBGZPJMESA-N 458.566 2.331 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2Cc2ccc(C#N)o2)CC1 1740707760 OQXIBFWBAPVDIJ-UHFFFAOYSA-N 462.485 2.475 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(N(C)C(=O)OCC)CC1 1740756029 DYJOBOCUWVZMIJ-KPFFTGBYSA-N 460.579 2.268 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1740759044 FFZFOICJBATHPO-SIKLNZKXSA-N 474.631 2.105 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](OCC(C)C)C1 1740850425 GCEVBFBMMOPPPA-RBUKOAKNSA-N 469.652 2.465 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC1CC1 1740916282 IWENCRIKDZXJJO-OAQYLSRUSA-N 470.599 2.475 30 10 JEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1740950511 URHXHSRFYUDNGR-FQEVSTJZSA-N 498.584 2.441 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1740950749 GGZRKPRVJQPIOC-IBGZPJMESA-N 476.585 2.252 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H](c2nnc(C(C)C)o2)C1 1740956075 GCOOHCNMJRGATE-OAHLLOKOSA-N 472.937 2.380 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1740963455 LHZMXWNMPBSWPG-WMLDXEAASA-N 464.448 2.187 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCC(C)(C)C2CC2)C1 1740982207 SBNUHWJRVGSOFX-RTBURBONSA-N 467.636 2.219 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1740992882 VILCEVPVGILWAY-UHFFFAOYSA-N 451.637 2.306 30 10 JEEE Cc1nc(CCn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@H](S(C)(=O)=O)C2)cs1 1742605401 CQOGWZSHLZBXNR-IBGZPJMESA-N 472.596 2.360 30 10 JEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CCc2ccccc21 1748790665 ZQAODIJMTMCFEH-NBGIEHNGSA-N 467.570 2.490 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)[C@H](C)CCC)CC1 1749006542 RDMJCJBTYLZCBY-LJQANCHMSA-N 475.597 2.335 30 10 JEEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1749050038 VKMGJHZHIGPUQJ-KZNAEPCWSA-N 486.646 2.095 30 10 JEEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1749050042 VKMGJHZHIGPUQJ-RCCFBDPRSA-N 486.646 2.095 30 10 JEEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)Nc2ccc(C)cn2)CC1 1749170396 NJRPDOJOKOASGM-INIZCTEOSA-N 461.592 2.023 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCCS(C)(=O)=O)CC1 1749342585 IZJRLFWBJAWBMF-SFHVURJKSA-N 483.635 2.424 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)NC[C@H]2C1 1749368304 GHGNSATYOVUTSF-ROUUACIJSA-N 489.621 2.403 30 10 JEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(n2cc(Cl)cn2)CC1 1749427098 KWHDHHKYCVZYET-SFHVURJKSA-N 484.026 2.269 30 10 JEEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cn(C)nc1-c1ccccc1)C1CC1 1749507931 DSZQPCUGGHUXPT-INIZCTEOSA-N 455.588 2.492 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1749689230 ASUSPTLDBSDHGZ-QFIPXVFZSA-N 482.629 2.432 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1749731391 CJBRXVHVTAQAEL-FQEVSTJZSA-N 462.620 2.255 30 10 JEEE CC(C)(C)C(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(NC(=O)C2CC2)CC1 1750116393 FWNZWVHXWBABGH-UHFFFAOYSA-N 493.612 2.386 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CCCN2CCCCC2)c1 1760126690 GIJBOOYQUMDOKC-UHFFFAOYSA-N 477.613 2.446 30 10 JEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@H](C)c2cccc(OC)c2)CC1 1760155194 SQJKIUVHGRNPHT-TZIWHRDSSA-N 471.627 2.485 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@]1(O)CCSC1 1760216182 DCBUMPFIDFNAEC-VWLOTQADSA-N 476.606 2.396 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@](C)(O)[C@@H](C)CC)CC1 1760252974 ZNXIZHUPSZMNOR-UUOWRZLLSA-N 473.021 2.414 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CC2CCN(CCN(C)C)CC2)CC1 1760267074 UGSHECJAHFCTPJ-UHFFFAOYSA-N 481.645 2.086 30 10 JEEE C=CCn1c(COc2ccc(OC)cc2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1760512886 WLIFLEZWMOTUGY-UHFFFAOYSA-N 454.575 2.186 30 10 JEEE Cn1cc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCNc2nccc(C(F)(F)F)n2)cn1 1769002848 APTUVNSOHNYNMM-QGZVFWFLSA-N 450.404 2.041 30 10 JEEE Cn1cc(N2CCN(c3nnc(COc4ccc(C#N)cc4)n3CC[S@](=O)C(C)(C)C)CC2)cn1 1769017192 CFAMKUZETMCXIS-DHUJRADRSA-N 496.641 2.336 30 10 JEEE C=CCN(CC=C)C(=O)NS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)OCO3)cc1 1858656621 SLOBKUKBYMJLHF-UHFFFAOYSA-N 457.508 2.418 30 10 JEEE C[C@H]1CN(C(=O)[C@H](Cc2c[nH]c3ccccc23)N=C2NS(=O)(=O)c3ccccc32)C[C@@H](C)O1 1869927917 ICSFAGIFBHEGCK-MRUHUIDDSA-N 466.563 2.454 30 10 JEEE CCCCCCCCn1cc(OCC(=O)NCCOC)c(=O)cc1CN1CCN(CC)CC1 1870520118 VKVZFVALUWIRQB-UHFFFAOYSA-N 464.651 2.488 30 10 JEEE C#CCOc1cn(CCc2ccc(OC)c(OC)c2)c(CNc2ccc(S(N)(=O)=O)cc2)cc1=O 1871005731 VKIZPKSIXMZGBY-UHFFFAOYSA-N 497.573 2.380 30 10 JEEE C=CCN(CC=C)c1nc(=NCCN2C(=O)CSC2=O)[nH]c(=Nc2cc(C)ccc2C)[nH]1 1871671612 XTLNRGQOWCBFHD-UHFFFAOYSA-N 453.572 2.362 30 10 JEEE CCCNC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1ccccc1C(=O)O 1874338793 YIYLNXPOWPZWRP-JKHIYUEESA-N 472.571 2.201 30 10 JEEE Cc1cccc(-n2ncc3c(=O)n4c(nc32)S[C@H](CC(=O)NCCN2CCC(C#N)CC2)C4)c1 1891137364 GFURKTRJCBMKOL-LJQANCHMSA-N 477.594 2.107 30 10 JEEE N#Cc1nc(-c2cccs2)oc1N1CCC(C(=O)NCc2nccc(N3CCOCC3)n2)CC1 1891308243 CBGMJNIJWXDKAF-UHFFFAOYSA-N 479.566 2.434 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O 2060127239 GPNPTTSCJLEKFT-BRWVUGGUSA-N 454.568 2.308 30 10 JEEE CC1(C)[C@@H](O)CC[C@]2(C)C3=C([C@@H](O)C[C@@H]12)[C@]1(C)[C@H](O)C[C@H]([C@](C)(O)C[C@@H]2OC2=O)[C@@]1(C)CC3=O 2069562952 QUDLVHSYSRPJNA-BOYGFEMKSA-N 476.610 2.284 30 10 JEEE CC(C)(C)OC(=O)NC1CC(O)(C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2127759746 BQMSEEIXTZTEJS-UHFFFAOYSA-N 450.316 2.482 30 10 JEEE CN(C(=O)OC(C)(C)C)[C@H]1COC[C@H]1C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2185161222 UOTHILBDSCOJMM-MOPGFXCFSA-N 460.380 2.484 30 10 JEEE Cc1csc(CNC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)O)c1B1OC(C)(C)C(C)(C)O1 2256616545 BUPMNKCDDSAJKV-XJKSGUPXSA-N 454.398 2.246 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)c1nc(NC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)n[nH]1 2267146677 MEECXJTVYGZYNB-JTQLQIEISA-N 464.357 2.398 30 10 JEEE Cn1cc(C(=O)N2CCC(CNC(=O)OCc3ccccc3)CC2)nc1B1OC(C)(C)C(C)(C)O1 2267180899 KQQFQSFGDIQFGE-UHFFFAOYSA-N 482.390 2.498 30 10 JEEE CO[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)o1 2267290460 CZOPFOZSRRTZPC-ZBFHGGJFSA-N 450.341 2.333 30 10 JEEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)[C@H](C#N)C1 2267711632 NTPWVBTZLHMSEP-CQSZACIVSA-N 483.421 2.181 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](C2CC2)[C@@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2268679400 FHCNPWBJBIGILH-ZIAGYGMSSA-N 464.397 2.233 30 10 JEEE Cn1nc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC3(CC3)C2)cc1B1OC(C)(C)C(C)(C)O1 2281974367 XIAQFRSKNCAJSV-UHFFFAOYSA-N 460.384 2.192 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N=[S@](C)(=O)C[C@@H](C)NC(=O)OC(C)(C)C)n1 2281995786 HLVCVDZYYBQSLJ-LHRCYKKBSA-N 484.428 2.353 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H](NC(=O)OC(C)(C)C)CC(C)(C)C2)n1 2282043687 OVDHWABFBCLGTH-HNNXBMFYSA-N 462.400 2.485 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)[C@@H]2COC[C@H]21 2282186308 SGHHPDOBQGBMFJ-RTBURBONSA-N 458.364 2.446 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2C(NS(=O)(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)c(F)c3)[C@@H]2C1 2282323625 DUUUBBYXHHCDOR-HUUCEWRRSA-N 482.383 2.269 30 10 JEEE Cc1c(C(=O)N2C[C@@H]3[C@H](CCN3Cc3ccccc3)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282558265 HJEHZQCVHUPJLV-WOJBJXKFSA-N 450.392 2.374 30 10 JEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@]1(CO)CCCN(C(=O)OC(C)(C)C)C1 2282560033 CLSBCSIFLVKNGI-HSZRJFAPSA-N 464.368 2.379 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 2282582169 SIQFWAIQWMSKFV-HZPDHXFCSA-N 462.400 2.451 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)[C@H](NC(=O)c1ncc(B3OC(C)(C)C(C)(C)O3)cn1)C2 2282628066 LKRJVQDCQSRELQ-YQQAZPJKSA-N 458.368 2.151 30 10 JEEE CN(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C1 2283950651 NHMIYQGBYQWAGK-LJQANCHMSA-N 459.396 2.283 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)sc1CN(C)C(=O)[C@@H](CC(N)=O)NC(=O)OC(C)(C)C 2283950686 NSKOIKYPLYHBQU-CQSZACIVSA-N 481.424 2.083 30 10 JEEE Cc1cc(S(=O)(=O)N2CCC(NC(=O)C(F)(F)F)CC2)ccc1B1OC(C)(C)C(C)(C)O1 2286105628 ZCHDXAWUQDNSGB-UHFFFAOYSA-N 476.326 2.126 30 10 JEEE C[C@@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)CC2(CN(C(=O)OC(C)(C)C)C2)O1 2288585699 HQHFZEZHFHXYSC-CQSZACIVSA-N 479.408 2.293 30 10 JEEE CN(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C)[C@@H]1CCN(C(=O)OCc2ccccc2)C1 2315537275 STSULFHEPJISGS-GOSISDBHSA-N 468.363 2.202 30 10 JEEE COC(=O)CSc1nnc([C@H]2CC(=O)N(c3ccc(OC)cc3)C2)n1N=Cc1ccc(O)c(O)c1 2325881686 OYPQAIPIPWXIRJ-HNNXBMFYSA-N 497.533 2.366 30 10 JEEE CN(C(=O)OC(C)(C)C)[C@H]1CN(C(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)CC1(C)C 2361515515 QVXAVEMHZUBOSE-INIZCTEOSA-N 462.400 2.437 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)N(CCCC)c3c(N)n(CCCC)c(=O)[nH]c3=O)cc2C1=O 14623856 VQBSXNKHHCAMDN-UHFFFAOYSA-N 467.526 2.148 30 10 JEEE C/C(=N/OCC(=O)OCC(=O)NC(=O)c1ccc(OC(F)F)cc1)c1ccc2c(c1)OCO2 61969132 CNXUBFFUJZQOSA-ROTLSHHCSA-N 464.377 2.257 30 10 JEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCC(C(=O)N(CC)CC)CC3)nnc12 476179279 XUAOPIMMLQDHBA-UHFFFAOYSA-N 482.610 2.429 30 10 JEEE C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)OCC(=O)c1ccc2c(c1)NC(=O)[C@H](C)O2 728095639 ORYUNSURLRHFJR-QWXGXRTQSA-N 489.484 2.297 30 10 JEEE N#CCCN1CCN(C(=O)[C@H](CC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)CC1 757239725 WCCIQQVMAOXUSA-QHCPKHFHSA-N 476.533 2.426 30 10 JEEE N#CCCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@@H](O)C(=O)O 757401128 NLALPIABDKDHFO-NHCUHLMSSA-N 451.479 2.149 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)N3CCC(C(=O)NCCC(C)C)CC3)cc2C1=O 918812576 PUPGYMLSTXUCRW-UHFFFAOYSA-N 469.538 2.026 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCCOc1ccc(F)cc1 1286295640 JYMARRQCNYEXAO-PXNSSMCTSA-N 479.578 2.067 30 10 JEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1286338731 DMTVCVOUBSIDHP-NRFANRHFSA-N 498.653 2.351 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CCN1CCCC[C@@H]1CC)[C@H]1CCS(=O)(=O)C1 1286393179 PEVDMWDBZORHGI-VXKWHMMOSA-N 470.643 2.155 30 10 JEEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@H]1CCC[C@H](O)C1 1286415426 KFGZLYISYYJNKP-NOZRDPDXSA-N 460.626 2.267 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCCO2)n1CC1(O)CCS(=O)(=O)CC1 1286456709 SYZQZQXVCOINDH-HXUWFJFHSA-N 476.574 2.238 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(CC)cc3)n2CC(=O)NCC(F)(F)F)CC1 1286486171 BRGMPBPSJVQWQV-UHFFFAOYSA-N 476.503 2.152 30 10 JEEE C=C(C)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1286592338 ZUPVFFPMLWBQKJ-VQIMIIECSA-N 466.542 2.001 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H]1COCCO1 1286769067 MFWBNCBQDDUPRZ-MSOLQXFVSA-N 451.568 2.404 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1286782032 IKXTZBHCMDNLAT-FQEVSTJZSA-N 457.542 2.014 30 10 JEEE CC(C)NC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1288233360 DWWZMNMFKKADEH-FQEVSTJZSA-N 459.558 2.237 30 10 JEEE CC(C)NS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H]1[C@@H]1CCCO1 1288267636 DZISYBDQEJYRIA-PMACEKPBSA-N 458.588 2.292 30 10 JEEE CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(CC(F)(F)F)CC1 1294912100 GTMWCLSPMDPCEO-UHFFFAOYSA-N 479.507 2.329 30 10 JEEE C=C(C)Cn1c(SCC(=O)NC[C@H]2CCC[C@@H]2NS(C)(=O)=O)nnc1-c1ccco1 1295044622 RNKBSHJMULFNSQ-CABCVRRESA-N 453.590 2.040 30 10 JEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1300421834 SKZHUYARLJTUOQ-UHFFFAOYSA-N 460.567 2.276 30 10 JEEE C#CCN(c1nnc(C2CCCC2)n1CCCOC[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1300495076 CKGYQVDRPWFDAN-WOJBJXKFSA-N 450.605 2.148 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CC(F)(F)CO1 1300606701 RLGTZMCBZPFQPV-MRXNPFEDSA-N 453.515 2.079 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCCOC3)n2C[C@@]2(O)CCC[C@H]2C)n1 1300680982 IMTCNJKMGOHBAX-REHUZNOOSA-N 456.591 2.206 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccccc2OC(C)C)CC1 1300722121 HTHMOSIEYQRUFL-HXUWFJFHSA-N 464.570 2.031 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@]2(O)CCOC2)CC1 1300731031 KXMXICOJLRZSPA-HSZRJFAPSA-N 490.029 2.341 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccccc2OC)nnc1N1CCN(CC(=O)N(C)C)CC1 1300897015 MVLKABQMWSLCOY-CJFMBICVSA-N 498.628 2.057 30 10 JEEE C=CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1301458895 IUIAOUMTFVJPJK-MRXNPFEDSA-N 464.496 2.143 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N(C)C[C@H](c1cccs1)N1CCOCC1 1301499753 FJWVWSBDNXFCOI-RBUKOAKNSA-N 474.631 2.046 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 1301507955 BOOKTFDPBMBZQV-QGZVFWFLSA-N 469.567 2.303 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)NC(CC)CC)nnc1N1CCS(=O)(=O)CC1 1301528647 FCFIVPKOKHYGME-UHFFFAOYSA-N 461.588 2.044 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cn2ccc3ccccc32)nnc1N1CCN(C(=O)C(C)C)CC1 1301586372 LBJONDUWIOADFN-UHFFFAOYSA-N 484.626 2.187 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CCCS(=O)(=O)C1 1358875931 YZWKPUFLKUFEMJ-KGLIPLIRSA-N 454.394 2.329 30 10 JEEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)Nc2c(C)cccc2C)CC1 1358928136 UDZYFWQCTFZSOE-FQEVSTJZSA-N 463.586 2.020 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@](C)(OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1358959412 IKUPDWKNUZQANW-MBSDFSHPSA-N 458.584 2.396 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1Cc1ccccc1OCC)[C@@H]1CCS(=O)(=O)C1 1358961323 WKXJPQUZFYGDJR-LJQANCHMSA-N 453.568 2.357 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1CC(=O)N(C)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1358964445 ZFECWUKZJOWIOM-LJQANCHMSA-N 463.648 2.285 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@H]1C[C@H](C)O[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1358965053 MZGMQRVTLSXPAL-YNVMFWSZSA-N 477.656 2.464 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2Cc2ccccc2CN2CCC[C@@H]2CO)CC1 1359041535 ZXFOGOTVXQIEBW-XMMPIXPASA-N 478.641 2.372 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2Cc2cccc(C(=O)NCC)c2)CC1 1359045319 CLKHEIPWQHJMKO-UHFFFAOYSA-N 450.587 2.240 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2Cc2snnc2C)CC1 1359047412 GDPJGEVUKCYMLD-UHFFFAOYSA-N 469.546 2.170 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2ccc(N3CCC(C)CC3)nc2)CC1 1359047708 QFZDPVVUWMTCBR-UHFFFAOYSA-N 479.629 2.460 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H]1CCCN1S(C)(=O)=O 1359112078 XPLTUYMJFPCSMS-MRXNPFEDSA-N 471.587 2.420 30 10 JEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)CC1 1359159083 MVYWFGXJCRQHQM-JKSUJKDBSA-N 456.613 2.300 30 10 JEEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@H](C(F)F)C1 1359293543 SYABNAVERYBZLG-HNNXBMFYSA-N 481.573 2.330 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCCC[C@H](SC)C1 1359330934 HHTNPPZFPAELGW-HNNXBMFYSA-N 467.617 2.329 30 10 JEEE C=CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1359337996 IMIBAIDULSDYJL-IBGZPJMESA-N 491.683 2.426 30 10 JEEE N#Cc1ccc(N2C[C@H](C(=O)N3CCN(C(=O)Cc4ccccc4)CC3)CC2=O)cc1Cl 1459747279 FXEQJHWXRCIABA-LJQANCHMSA-N 450.926 2.478 30 10 JEEE CCC[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc(F)c2C#N)CC1)OC 1500126720 FHDMZCZOPFIQSK-MSOLQXFVSA-N 490.605 2.333 30 10 JEEE CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(CC)(CC)OC)CC1 1502424255 CJVJJZVGZJUQGJ-UHFFFAOYSA-N 453.591 2.280 30 10 JEEE CO[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2ncc(F)cn2)CC1 1503942408 DUTXIHALLUAPMA-MRXNPFEDSA-N 452.494 2.019 30 10 JEEE COCCn1cc(Cn2c(-c3cc(F)ccc3Br)nnc2N2CCO[C@H](C#N)C2)cn1 1504898032 DNTYOMPYKJDZNA-MRXNPFEDSA-N 490.337 2.467 30 10 JEEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(C)n(C)c1=O 1507691287 DDLKRCNYMSUWNS-LJQANCHMSA-N 470.574 2.101 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2CCCn2ccnc2C)CC1 1507740732 XVQTXPAYKYUHFO-UHFFFAOYSA-N 451.600 2.491 30 10 JEEE C#CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N(CC)CCS(C)(=O)=O 1507752111 VKDXHESNNBSCCT-GOSISDBHSA-N 450.586 2.028 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)NCC)CC1 1507810450 ZNSQQLJSLYXZOY-MJGOQNOKSA-N 461.611 2.029 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CCCCCC1 1507821206 WGXBNZYETLMTKR-SFHVURJKSA-N 455.625 2.099 30 10 JEEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(c2nc(C)ns2)CC1 1507952816 BGYDNLQCORRSHE-INIZCTEOSA-N 451.622 2.023 30 10 JEEE C=CCNC(=O)Cn1c(N2CCc3c(ccnc3O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1508098727 RDYWQJVJLHHJIL-CALCHBBNSA-N 483.573 2.014 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccn3)n2Cc2ccc(S(C)(=O)=O)cc2)C1 1508130437 UZRYWDBTOVVQNS-HXUWFJFHSA-N 453.568 2.497 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCOC(C)(C)C1 1508134057 AYJNFFQZUFZUOY-UHFFFAOYSA-N 480.587 2.187 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Br)c2)nnc1N1CCC[C@@H](CC(N)=O)C1 1508137093 YGBFMYFQNDBFNZ-HNNXBMFYSA-N 496.431 2.400 30 10 JEEE C=CCSCCn1c(CN2CCCC2=O)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1508164498 JBGOJZPIRHKGDQ-SFHVURJKSA-N 456.620 2.215 30 10 JEEE CCN1CCN([C@@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](C(=O)OC)C2)CC1 1515890741 BFCOKZFYFJGXKI-UGKGYDQZSA-N 465.602 2.232 30 10 JEEE COc1ccccc1-c1nnc(N2CCC(CC#N)CC2)n1CCNS(=O)(=O)Cc1ccon1 1518435250 GPEZSEJHKJKYFO-UHFFFAOYSA-N 485.570 2.191 30 10 JEEE N#Cc1c(NC(=O)C2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)nc2n1CCS2 1530534205 BGWHMGSCUZUMCT-UHFFFAOYSA-N 453.496 2.178 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ccc(S(C)(=O)=O)cc1 1539016755 ZKSAQOSTMLHCQM-GOSISDBHSA-N 479.610 2.362 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCCN1CCCCCC1=O)[C@@H]1CCS(=O)(=O)C1 1539210959 FKASQQIJSJDOAE-LJQANCHMSA-N 473.599 2.266 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@](C)(O)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 1539212591 VZVUAUBGQTZNGV-CVDCTZTESA-N 459.616 2.242 30 10 JEEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](OC(C)C)c2ccccc2OC)CC1 1539459763 NNTWHZGNSOSMAG-HSZRJFAPSA-N 480.613 2.331 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCN(C)C2CCCCC2)CC1 1539459856 QCAPCUZBHZTTPO-UHFFFAOYSA-N 469.659 2.289 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1COCCO1 1539669149 LYEYNGBQCDKIOA-MSOLQXFVSA-N 451.568 2.404 30 10 JEEE C=CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(S(C)(=O)=O)CC1)c1ccccc1 1539939604 JFVJZCMNEVIRHX-PKOBYXMFSA-N 495.671 2.262 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](c2ccco2)C1 1540864453 AKCUGEJVFULUPN-QGZVFWFLSA-N 455.540 2.238 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccccc3OC)n2C[C@H]2CCS(=O)(=O)C2)C1 1540896407 LCMRFEKAVQHHLU-QZTJIDSGSA-N 462.572 2.082 30 10 JEEE C#CC[C@@]1(C(=O)NCC[C@@](O)(c2nccn2C)C(F)(F)F)CCCN1C(=O)OC(C)(C)C 1545043015 MIUUJBDFIPOXPI-VQTJNVASSA-N 458.481 2.469 30 10 JEEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N2C[C@@H](O)C[C@@H](O)C2)ccc1Cl 1545313308 RTBLNSKMAHTFLX-HDICACEKSA-N 450.944 2.289 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CSCCS1)[C@H]1CCS(=O)(=O)C1 1588034566 IPAKTSNUQQPUPC-ROUUACIJSA-N 493.636 2.329 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1CCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1588040192 JDCDMBORTAGAMM-QGZVFWFLSA-N 465.982 2.460 30 10 JEEE C#CCN(c1nnc(-c2ccccc2)n1Cc1ncccc1N(C)C)[C@H]1CCS(=O)(=O)C1 1588045704 OZEVNTLQMPFWAZ-IBGZPJMESA-N 450.568 2.081 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 1588228987 OJNCXSXEQDPDJN-VQTJNVASSA-N 489.642 2.290 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCNC(=O)C(C)C 1588258900 LWEZMMAFLOGSRC-KDURUIRLSA-N 456.591 2.284 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCC[C@H](O)C1 1588472391 FKUNKAREYUBFQE-QRFRQXIXSA-N 463.579 2.218 30 10 JEEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2CC(=O)NCc2ccco2)CC1 1588864571 GMMVCILCWMEVSQ-UHFFFAOYSA-N 462.554 2.139 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCCN(C)C(=O)OC(C)(C)C)CC1 1588930040 LVLRQSANPOHOKH-HXUWFJFHSA-N 488.633 2.395 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@H](Cc2ccccc2)OC)CC1 1588947129 LLXYQLIBVCWYOJ-DEOSSOPVSA-N 472.593 2.487 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(CC)CC)n1Cc1ccc(N2CCOCC2)nc1 1589135272 WMYCRXJXTKBSPW-RUZDIDTESA-N 465.602 2.469 30 10 JEEE CCCO[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1615028494 DSUUVOORTZOPJW-NFBKMPQASA-N 473.599 2.152 30 10 JEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCCN([C@H](C)c3ccccc3F)C2=O)c1 1636223494 DPCJZCWPIGIASK-IIBYNOLFSA-N 457.527 2.219 30 10 JEEE Cc1c(Br)c(C)n(NC(=O)[C@@H]2CCCN(C(=O)N3CCCC3)C2)c(=O)c1C#N 1641510550 DMOBOYURMRRNNG-CQSZACIVSA-N 450.337 2.097 30 10 JEEE Cc1nsc(N2CCN(S(=O)(=O)c3cccc(Br)c3C#N)CC2)c1C#N 1655509258 CKRNQZBSIFXFFY-UHFFFAOYSA-N 452.359 2.468 30 10 JEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Nc1ccc2c(ccn2CC(=O)N2CCOCC2)c1 1667977658 NJORJRRGYQPQSB-UHFFFAOYSA-N 454.527 2.309 30 10 JEEE COCCN(CCOC)C1CCN(C(=O)NCc2cn(C)nc2-c2ccc(C#N)cc2)CC1 1686076703 ANEXCMPWSMBPSK-UHFFFAOYSA-N 454.575 2.228 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1(S(C)(=O)=O)CC1 1689866589 GGRZPILWAYUVQJ-HOTGVXAUSA-N 451.593 2.385 30 10 JEEE C#CCN(C)c1nnc(COc2ccc(Br)cc2)n1C[C@@H]1CC(=O)N(CCOC)C1 1689973853 SROZGPMHWSTJOY-MRXNPFEDSA-N 476.375 2.184 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1CCc1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 1689985732 ALQSLGDLOCFFQI-IBGZPJMESA-N 451.552 2.218 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCCc2cccc(C)n2)CC1 1690146323 LCMGJWDGVSPRQP-OAQYLSRUSA-N 450.587 2.474 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2C)nnc1N1CCN(CC(=O)NCC)CC1 1690243230 IMKXYDFEUZQDTJ-OFNKIYASSA-N 452.603 2.493 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(C(=O)NCCC)CC1 1690661726 FMAMCBDLJPQSBL-UHFFFAOYSA-N 478.395 2.081 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC(Nc2cc(OC)cc(OC)c2)CC1 1690669270 ZWSAKSUEWFNNQJ-UHFFFAOYSA-N 478.557 2.135 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2c(F)cccc2F)C1 1690686233 KWPOHNJRIGPYMI-CABCVRRESA-N 455.531 2.191 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCC(=O)NC(C)(C)C)C1 1690696848 KEAKOKHVNFTIEO-QGZVFWFLSA-N 479.585 2.278 30 10 JEEE CC(C)(C)Cc1nnc(N(CCC#N)CC2CC2)n1CCS(=O)(=O)N1CCSCC1 1691131740 BYYPDPKDRBUFJP-UHFFFAOYSA-N 454.666 2.375 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@](C)(O)CCOC 1705490063 BLQCNKHNVCBANB-XDHUDOTRSA-N 452.559 2.310 30 10 JEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1705527193 XNGISXPYCRGHLJ-UHFFFAOYSA-N 486.642 2.304 30 10 JEEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1(SC)CCN(C)CC1 1705552218 JMWVKOOYPMUSTE-UHFFFAOYSA-N 454.648 2.349 30 10 JEEE C#CCN(CC#CC)c1nnc(Cc2ccncc2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1705600461 ZMUGPYBUBSLSSK-VXKWHMMOSA-N 460.561 2.073 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2CCNC(=O)c2ccco2)CC1 1705649566 BYMYDDBWPGJPGK-UHFFFAOYSA-N 496.518 2.136 30 10 JEEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)Cc1cnn(C)c1C 1705655026 BGRYOEXHXZDCFB-UHFFFAOYSA-N 487.655 2.240 30 10 JEEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1705762090 MCQUVLYIXNRULP-IHRRRGAJSA-N 451.877 2.259 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCCN(C(C)C)C2)CC1 1705782099 OWLAWDYPAXZRMT-RTWAWAEBSA-N 480.679 2.134 30 10 JEEE C=CCNC(=O)Cn1c(N2CCc3cc(F)cc(F)c3C2)nnc1[C@]1(OC(C)C)CCOC1 1705908984 ZBWOUQNOPIXZTA-QHCPKHFHSA-N 461.513 2.462 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)Cc1cnn(CC)c1 1705932955 PHMSHZXXGUFDPZ-UHFFFAOYSA-N 472.571 2.170 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1705934929 BDXJATISWLOHAJ-IRXDYDNUSA-N 455.625 2.427 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(CC(C)C)C(=O)C1 1705938816 JXWHUMORRJHYCQ-UYAOXDASSA-N 481.663 2.102 30 10 JEEE CCOc1c(Cl)cc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)cc1OC 1710495648 BCEPYUDXGUKXPR-GDBMZVCRSA-N 460.922 2.067 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CC1(C(=O)N(C)C)CCCC1)[C@@H]1CCS(=O)(=O)C1 1722358365 AVPQVJWFUFFNIB-GOSISDBHSA-N 473.599 2.122 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1CCN(C)[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1722362773 OQJJIJVZMFGWQD-ICSRJNTNSA-N 487.626 2.073 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1CCc1ccc(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1722363028 YNFCHTJVSNRCKL-LJQANCHMSA-N 481.578 2.227 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1CCc1nccc(C(F)(F)F)n1 1722419230 UOWANLYRJHRRCD-UHFFFAOYSA-N 474.447 2.063 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1722435097 BIIHBTRFJPKVBR-LEWJYISDSA-N 469.586 2.036 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccccc3F)n2CCCCN2CCN(CC)CC2)CC1 1722435490 OPGIYBSWLFFJSP-UHFFFAOYSA-N 453.610 2.257 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCOCCCC)CC1 1722437355 LZFICMWXBAONSE-FQEVSTJZSA-N 476.622 2.158 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](c2nc(C(C)C)cs2)C1 1722698424 GAVIRZYLEHPMGV-SJORKVTESA-N 492.671 2.446 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCSC(C)(C)C1 1722751739 SQSKKJYYTBEUPG-UHFFFAOYSA-N 484.669 2.281 30 10 JEEE CC(=O)N1CCN([C@@H]2CN(c3nnc(COc4ccc(C#N)cc4)n3CCOC(C)C)C[C@@H]2C)CC1 1722798546 LRHXOBDZNBLSCB-GBXCKJPGSA-N 495.628 2.143 30 10 JEEE C#CCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1740583300 OGKUOKFQBKSZSF-GOSISDBHSA-N 453.572 2.267 30 10 JEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(-c2nc[nH]n2)cc1 1740610863 NKKXMEUTGHNGBW-IBGZPJMESA-N 478.557 2.489 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1CCNC(=O)C(C)C)[C@H]1CCS(=O)(=O)C1 1740621625 XUQWXOJLXSLJAR-KRWDZBQOSA-N 494.017 2.006 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2CCNC(=O)C(C)(C)C)CC1 1740703704 BUKPBQMAEIMRLA-UHFFFAOYSA-N 466.586 2.082 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CC[C@@H](C)N2CCCCC2)CC1 1740707130 QDTMQMMKJAVHIB-OAQYLSRUSA-N 463.630 2.494 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1740757258 NTFWUTWWNRAPBP-HBFSDRIKSA-N 462.620 2.362 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N1CCOC(C)(C)C1 1740986599 BRZHGNOPGPDUHQ-UHFFFAOYSA-N 472.409 2.262 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 1740987645 LEACPSGFDHVEQC-UHFFFAOYSA-N 483.594 2.471 30 10 JEEE C=CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN2CCOC[C@@H]2C1 1740997509 VFOOHUYKWYSDSW-HNNXBMFYSA-N 453.410 2.476 30 10 JEEE C=CCSCCn1c(N2CCO[C@](C)(c3cnn(C)c3)C2)nnc1[C@@]1(OCC)CCOC1 1741004786 MHJFPOWPUJNMHJ-FCHUYYIVSA-N 462.620 2.335 30 10 JEEE CO[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(c2ccccc2C#N)CC1)C(C)C 1748415488 AMJCUZKAMMFZQD-WIYYLYMNSA-N 489.646 2.148 30 10 JEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CC(CC)(CC)SC)[C@@H]1CCS(=O)(=O)C1 1748801469 AISCQOZXQYZLEW-QGZVFWFLSA-N 467.661 2.063 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1CCOc1c(C)cccc1C)[C@@H]1CCS(=O)(=O)C1 1748811154 CKRWNBGQNWAVEO-LJQANCHMSA-N 466.567 2.058 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CCOc1ncccc1Cl)[C@@H]1CCS(=O)(=O)C1 1748818760 FXPLKTUZQYAVCS-GOSISDBHSA-N 486.985 2.018 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CCSC(F)(F)F)CC1 1749016390 CRQDOSURYBQJHD-UHFFFAOYSA-N 452.506 2.483 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OCC2CC2)nc1 1749054239 QHLRNWJDJBEZID-KSFYIVLOSA-N 458.588 2.113 30 10 JEEE C=C(C)COCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1749218776 WMQGNCIHKPOBGQ-QFIPXVFZSA-N 463.586 2.152 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1749669406 KEVKFTCAGOZQCD-OKZBNKHCSA-N 462.595 2.214 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1749682043 NOOYQAYDCIFTIE-INIZCTEOSA-N 476.006 2.082 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1749724365 INRFMCRKSSKXKE-QZTJIDSGSA-N 477.631 2.482 30 10 JEEE C=CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H](OC)C1 1749746055 QHQUABRWUWGZQV-KRWDZBQOSA-N 451.618 2.340 30 10 JEEE COCCN(CCC#N)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@]1(O)CCC[C@H]1C 1749828382 ACLZXFBUBCKUBC-MZNJEOGPSA-N 465.558 2.110 30 10 JEEE CC(C)[C@](C)(O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1750579806 DUJWTCZXDMVSJX-SQJMNOBHSA-N 465.602 2.220 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1nccc(C(F)F)n1)[C@@H]1CCS(=O)(=O)C1 1760186995 BTZZMNGAEQKZIY-OAHLLOKOSA-N 473.509 2.051 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N1CCc2ccccc2C1 1760218216 ATDBHFFRCCERCQ-OFNKIYASSA-N 465.623 2.090 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2cccc(C(C)(C)O)c2)CC1 1760265564 DRAHRGITTJIGGW-HHHXNRCGSA-N 495.624 2.172 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCCN2CCC(O)CC2)CC1 1760267155 HREDIEHTSXPLRY-UHFFFAOYSA-N 485.032 2.411 30 10 JEEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1760305348 BEJLXAUZFNTPTD-UHFFFAOYSA-N 451.373 2.217 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](C(=O)NCCCC)C1 1760336288 WXEMTXNXHGVTIE-JKBKZWBZSA-N 458.607 2.343 30 10 JEEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCN2[C@@H](C)CC[C@@H]2C)CC1 1760440264 FSDXSEWLEBAOIX-PCCBWWKXSA-N 464.680 2.141 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1760517354 KPRMMVIXJQOQES-UHFFFAOYSA-N 481.557 2.384 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1760523684 FQFOACZHKFWTKQ-JOCHJYFZSA-N 463.586 2.406 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(c2ccccn2)CC1 1760527123 ZIXCSLCKIRAJAJ-UHFFFAOYSA-N 461.570 2.498 30 10 JEEE CCN1CCN([C@@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCCC[C@@H](S(C)(=O)=O)C2)CC1 1765496876 CGWDOUQIGMGWLE-NZQKXSOJSA-N 499.685 2.246 30 10 JEEE CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@@H]1N(C)CCCC1(C)C 1767930754 GMPCPXVKCCQSRV-FQEVSTJZSA-N 469.638 2.175 30 10 JEEE CN(CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(OCC(N)=O)CC1)C1CCCC1 1768911521 DUVLIXLEIRYPFV-UHFFFAOYSA-N 451.575 2.162 30 10 JEEE COc1ccc(CCn2c(CN3CCCC3=O)nnc2N2CC[C@](F)(C#N)C2)c(OC)c1OC 1770161471 ICQGQSSZZFGVOS-QHCPKHFHSA-N 472.521 2.111 30 10 JEEE COc1ccccc1-c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@@H](C)N(C)C 1770407373 BJWCLWTXGOVQJZ-QZTJIDSGSA-N 461.574 2.281 30 10 JEEE CN(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CCN2CCOCC2)cc1 1862628635 CWQADJWBGPOWIA-QHCPKHFHSA-N 479.533 2.392 30 10 JEEE CC(=O)Oc1ccc(C[C@@H](NC(=O)CC[C@H]2CCS(=O)(=O)C2)C(=O)Nc2cccc(C#N)c2)cc1 1866930198 ZDIZPAFCCSLAMZ-WMZHIEFXSA-N 497.573 2.364 30 10 JEEE O=C(NC[C@@H]1CCCO1)[C@@H](Cc1c[nH]c2ccccc12)N=C1NS(=O)(=O)c2ccccc21 1869932188 WNXTVWJBDNJHBQ-OXJNMPFZSA-N 452.536 2.113 30 10 JEEE C=CCn1cc(OCC(=O)N2CCOCC2)c(=O)cc1CN1CCN(c2cccc(Cl)c2)CC1 1870582211 XBHLYOZOYXSNRU-UHFFFAOYSA-N 487.000 2.248 30 10 JEEE C=CCn1c(C(=O)Nc2ccc(N3CCCC3)cc2)cc2c(N(CCO)CCO)ncnc21 1873646884 RCNYJDCLFPIHJF-UHFFFAOYSA-N 450.543 2.261 30 10 JEEE CCOc1ccc(OCc2nnc(SCC(N)=O)n2/N=C/c2ccc(C(=O)O)cc2)cc1 1874235363 DZDUYAXIDZIUNE-FOKLQQMPSA-N 455.496 2.414 30 10 JEEE CC(=O)N(C)c1cccc(C(=O)N2CCC(OCC#CCN3CCN(C(C)C)CC3)CC2)c1 1890519180 DYVKPUIWESDAKP-UHFFFAOYSA-N 454.615 2.320 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]1C(=O)NCCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2180985866 UNWQJGNOFSRGMO-MOPGFXCFSA-N 460.380 2.327 30 10 JEEE CC1=C(B2OC(C)(C)C(C)(C)O2)CN(C(=O)[C@H](NC(=O)OC(C)(C)C)C2CS(=O)(=O)C2)CC1 2201823849 VADITUAVSCHPOW-QGZVFWFLSA-N 484.424 2.105 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@](CO)(NC(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2255541334 ZZQVCDFTVCQYSQ-NRFANRHFSA-N 452.382 2.149 30 10 JEEE C[C@H](CNS(=O)(=O)Cc1ccccc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2255795288 UNVGPIWMWRJJKI-OAHLLOKOSA-N 454.398 2.318 30 10 JEEE Cc1sc(C(=O)NCC2(O)CN(C(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2255841912 JZAIHIMKRZELQV-UHFFFAOYSA-N 452.382 2.067 30 10 JEEE C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc(B2OC(C)(C)C(C)(C)O2)ccc1Cl 2256617679 LJRLXJFKDSLHII-RISCZKNCSA-N 455.748 2.247 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](F)[C@@H](C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)C1 2256640116 MZJGCBBNBIIREE-UONOGXRCSA-N 455.361 2.264 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1COC[C@H]1C(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)cs1 2256678696 QIMSFDAKMVWWKN-CVEARBPZSA-N 452.382 2.203 30 10 JEEE CC(C)(C)OC(=O)N[C@]1(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)s2)CCCOC1 2256679215 URICLJCUNPNPRY-HXUWFJFHSA-N 453.370 2.455 30 10 JEEE C[C@@H]1CN(S(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CCN1C(=O)OC(C)(C)C 2267377885 LWFXKWCGDBAMQF-OAHLLOKOSA-N 467.397 2.011 30 10 JEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)c1C 2267507804 UYNZOGVOUDUCPV-CABCVRRESA-N 466.409 2.374 30 10 JEEE CCCN(CCNC(=O)OC(C)(C)C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)c(C)nn1C 2267508245 BMRRNKGHVJRIEZ-UHFFFAOYSA-N 450.389 2.405 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@@H](CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)C1 2267552852 KDEAIQKTQKBGFD-HNNXBMFYSA-N 450.341 2.192 30 10 JEEE C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CN1S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2267704958 CNKUURUXGXDADY-KGLIPLIRSA-N 487.453 2.260 30 10 JEEE CC(C)(C)OC(=O)N1CC(O)(CNC(=O)c2cccc(Cl)c2B2OC(C)(C)C(C)(C)O2)C1 2267911654 YWFWPPARKCOLKE-UHFFFAOYSA-N 466.771 2.351 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)Nc1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2268636523 DVEBXYBLHIXXAC-PBHICJAKSA-N 450.316 2.434 30 10 JEEE CC[C@@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2CN1C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2281931247 SOKFKTUWFSJUPQ-DJIMGWMZSA-N 460.384 2.426 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC2(F)CC(NC(=O)OC(C)(C)C)C2)n1 2281996523 POGFVNCMXOPFJM-UHFFFAOYSA-N 466.363 2.327 30 10 JEEE CC(C)[C@H]1[C@@H](NC(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)CCN1C(=O)OC(C)(C)C 2282040991 QMBBIMNGPWDFDR-RDJZCZTQSA-N 462.400 2.483 30 10 JEEE Cc1cccc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2O)c1B1OC(C)(C)C(C)(C)O1 2282127607 ZVLJGHFTRMLWAH-ROUUACIJSA-N 460.380 2.394 30 10 JEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)CCN1C(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2282187776 NEFYIKGIJGTMHC-UHFFFAOYSA-N 480.392 2.009 30 10 JEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1 2282310765 YNOOJIKUFLKHOU-HSZRJFAPSA-N 492.472 2.271 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N[C@H]2CC(C)(C)[C@H]2OCc2ccccc2)n1 2282505791 JCXBTGMHBBABFW-OALUTQOASA-N 475.420 2.382 30 10 JEEE CN(C(=O)OC(C)(C)C)[C@@H]1CN(C(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)CC12CC2 2282545307 HSIMDDZUBCPWNA-MRXNPFEDSA-N 460.384 2.191 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2CCCCN(C(=O)OC(C)(C)C)C2)n1 2282552223 PDKNKXYYEKTSMD-MRXNPFEDSA-N 462.400 2.486 30 10 JEEE Cn1cc(C(=O)N2C[C@H](CNC(=O)OC(C)(C)C)CC2(C)C)nc1B1OC(C)(C)C(C)(C)O1 2282556079 CFFORKKAYZTYGE-HNNXBMFYSA-N 462.400 2.485 30 10 JEEE C[C@@H]1C[C@H](NC(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)CCN(C(=O)OC(C)(C)C)C1 2282564885 AVDHBGBVYONCPC-HZPDHXFCSA-N 462.400 2.485 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(C(=O)OC(C)(C)C)[C@@H]2COC[C@@H]21 2282597575 HXLHFAJVGUNAAY-LSDHHAIUSA-N 479.408 2.211 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)c[nH]3)C2)C1 2282646605 QCESSPAUEPMHEU-HSZRJFAPSA-N 461.368 2.166 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2CN(S(=O)(=O)Cc3ncsc3B3OC(C)(C)C(C)(C)O3)C[C@H]2C1 2282830977 CQBCEHFDNMSLBS-GASCZTMLSA-N 499.464 2.071 30 10 JEEE C=CCN1C(=O)C(=Cc2cc(OCC)c(OCC(=O)O)cc2Br)C(=O)NC1=S 2294216830 FEXAVDMKAZVWCA-UHFFFAOYSA-N 469.313 2.124 30 10 JEEE C=CC1(N[C@]2(C(=O)O)CCCOC23CN(C(=O)OC(C)(C)C)C3)CN(C(=O)OC(C)(C)C)C1 2350986548 MIOMEJLBSYRJDX-QHCPKHFHSA-N 467.563 2.375 30 10 JEEE Cc1nn(C)c(C(=O)NC[C@H]2[C@@H]3C[C@@H]3CN2C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2359277316 DUESFPKKCBGDNZ-OAGGEKHMSA-N 460.384 2.013 30 10 JEEE C=CCN1C(=O)/C(=N\NC(=S)Nc2ccc(C)cc2)c2cc(S(=O)(=O)N3CCOCC3)ccc21 3037243 FTSKHKREQHNDOA-DAFNUICNSA-N 499.618 2.239 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)C[S@@](=O)CC(=O)N3CCc4ccccc4C3)cc21 526888898 KCQCTJDLANBEII-JGCGQSQUSA-N 452.532 2.114 30 10 JEEE Cn1cc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)NCC#CC(=O)O)cn1 757472286 WFVKLUYLJBLSIX-HSZRJFAPSA-N 458.474 2.204 30 10 JEEE COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)ON=CC(=O)Nc1cccc(F)c1 852303818 ALJHQRFDBVLGJO-CYBMUJFWSA-N 466.491 2.053 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H]2C[C@@H](OC(C)(C)C)[C@@H]2n2cccn2)ccc1F 1128982916 NNMZGSQPVQADIC-ZHALLVOQSA-N 450.536 2.414 30 10 JEEE C#CC[C@H](NC(=O)c1cn(C)nc1[C@@H]1CCCN(C(=O)OCc2ccccc2)C1)C(=O)OC 1161364397 CFMBNCZTLVPGIM-QUCCMNQESA-N 452.511 2.231 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1ccc(COC)cc1)[C@H]1CCS(=O)(=O)C1 1286388145 YQZMHRMUMSWGFZ-FQEVSTJZSA-N 451.552 2.162 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1C[C@H](F)COC)[C@H]1CCS(=O)(=O)C1 1286394041 GIFNHMHPLZHMCS-OALUTQOASA-N 464.563 2.085 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@H](C)c1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1286394457 JAZQWYIFGQVTPA-MGPUTAFESA-N 485.614 2.175 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCN(C)c1ccccc1F)[C@H]1CCS(=O)(=O)C1 1286398769 OSDRZEFXQGMZOP-GHTZIAJQSA-N 475.590 2.422 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](C)N(C)C1CC1)[C@@H]1CCS(=O)(=O)C1 1286398995 WCHAGNHOQBXMJH-OYNPSCLESA-N 477.675 2.306 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@]2(C)OCCc3sccc32)CC1 1286471243 HZYFMWILWODFDJ-JPYJTQIMSA-N 459.616 2.307 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2CN(C(=O)OC(C)(C)C)C2)CC1 1286475832 HWXUMVOAFACRTC-UHFFFAOYSA-N 461.570 2.439 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2CC(C)(C)C(=O)NCC)CC1 1286494903 VRBPFAMUCYKUOU-UHFFFAOYSA-N 489.624 2.478 30 10 JEEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1286511457 LNTOMGGMKGOXOM-NRFANRHFSA-N 463.567 2.407 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC[C@@H](NC(C)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1286562298 JZTQBLSYYZVATL-IUBSTNSRSA-N 461.607 2.405 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1286792361 VTSRBZLWMFSZOX-IBGZPJMESA-N 468.602 2.479 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1286792362 VTSRBZLWMFSZOX-LJQANCHMSA-N 468.602 2.479 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C(C)C)C2)cc1 1286794560 KKSQHILYBKSPIJ-XLIONFOSSA-N 463.604 2.363 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@H](C)[C@@H](OC)C1 1286813850 DOYYIQXZUUEDQT-LPHOPBHVSA-N 496.033 2.324 30 10 JEEE CC(C)(C)NC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(CS(C)(=O)=O)CC2)CC1 1287047261 DGAIONUCRDVVEV-UHFFFAOYSA-N 499.641 2.272 30 10 JEEE C#CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1300365262 SDXKVKHDXRIBBF-CEXWTWQISA-N 488.589 2.325 30 10 JEEE C#CCCCCn1c(N2CCN3C(=O)OC[C@@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1300377272 UVEPDZPRTIFIKP-KSZLIROESA-N 458.563 2.493 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCc1scnc1C)[C@H]1CCS(=O)(=O)C1 1300481751 BSRCJRYDFWOBIU-IBGZPJMESA-N 466.592 2.451 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(F)ccc2Br)n1CCCNC(C)=O 1300657499 MLTZZFREWYTNHA-UHFFFAOYSA-N 452.328 2.459 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H]2CCN(CC)C2)CC1 1300700140 MIXFRZYMPMDLNZ-FCHUYYIVSA-N 485.677 2.490 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2SCCc3ccccc32)CC1 1300711071 RWGYLZOSAZIYDP-OAQYLSRUSA-N 480.638 2.413 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C3(c4ccccc4)CCC3)n2C[C@H](COC)OC)CC1 1300715697 BUVVGAOAILLBEH-JOCHJYFZSA-N 465.598 2.375 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2Cc2ccc(N3CCOCC3)c(F)c2)CC1 1300724934 DGCVNKNWCQOXKI-UHFFFAOYSA-N 482.604 2.466 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc(N(C)S(=O)(=O)CC)cc2)s1 1300967973 USOPMIYNVCQIAG-UHFFFAOYSA-N 457.599 2.180 30 10 JEEE C=C(C)COCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1300981226 VOYCIQRYVSYHMA-UHFFFAOYSA-N 468.602 2.291 30 10 JEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@](C)(N2CCOCC2)C1 1301457818 BULBAWKPSYOZRM-MBSDFSHPSA-N 462.595 2.074 30 10 JEEE C=CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1301458894 IUIAOUMTFVJPJK-INIZCTEOSA-N 464.496 2.143 30 10 JEEE C=CCNC(=O)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N(C)C[C@H](C)C(=O)NC 1301480905 GNEMONFNEQDNMO-HNNXBMFYSA-N 467.599 2.498 30 10 JEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](O)[C@H]2c2ccc(Br)cc2)cc1 1302021339 DMBRRNFWKAWZKI-RTBURBONSA-N 463.353 2.309 30 10 JEEE CCc1cnc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@H](S(C)(=O)=O)C2)s1 1305996892 DJZWHUFSPCRKGU-SFHVURJKSA-N 472.596 2.419 30 10 JEEE C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)C[C@@H]1CC[C@H](NC(=O)OCc2ccccc2)C1 1309088771 WPVHCCDTIXSHIR-HSALFYBXSA-N 470.613 2.086 30 10 JEEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CCCC2)C[C@@H]1C 1316124850 AOQKKCUIBWNVTK-IBGZPJMESA-N 486.642 2.331 30 10 JEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CC1(O)CC(OCC)C1)[C@H]1CCS(=O)(=O)C1 1358958981 ZMCKYMPEBJNGOD-PGFLUOATSA-N 479.002 2.155 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(C3CCC3)n2C[C@@H]2CCCN(C(C)=O)C2)n1 1359028598 XOTYZKBYDGMUMO-HXUWFJFHSA-N 453.591 2.287 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2Cc2snnc2C)CC1 1359035400 SIVVXOKFDMOACR-SFHVURJKSA-N 486.646 2.356 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccn(C)n1 1359071325 MMESXMNRGVUNGA-WZONZLPQSA-N 455.563 2.360 30 10 JEEE C=C1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCOCCS(C)(=O)=O)CC1 1359163422 DNPOHOQLUTZTIV-UHFFFAOYSA-N 456.572 2.348 30 10 JEEE C=CC1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCNS(C)(=O)=O)CC1 1359178146 KDVXWZBXXJVBJP-UHFFFAOYSA-N 482.651 2.344 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1Cc2cccc(Br)c2C1 1359291048 CIYVSPMCCXHGGR-UHFFFAOYSA-N 459.348 2.099 30 10 JEEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1Cc2ccccc2O[C@@H](C)C1 1359343153 NALIQUWNWYSNNM-FXAWDEMLSA-N 493.655 2.318 30 10 JEEE N#Cc1ccc(N2C[C@@H](C(=O)N3CCN([C@@H](CO)c4ccc(Cl)cc4)CC3)CC2=O)cc1 1466534832 ASZSLOYOIQSDHJ-UGKGYDQZSA-N 452.942 2.442 30 10 JEEE Cc1ccc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@H](CNS(C)(=O)=O)C2)cn1 1492200300 ABSLTOYUENLVNU-HXUWFJFHSA-N 495.609 2.246 30 10 JEEE CCCN(C)C[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCS(=O)(=O)C2)C1 1500711632 HUCVPENBCNWUIX-WOJBJXKFSA-N 456.616 2.420 30 10 JEEE CN(c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CCS(=O)(=O)CC1)C1CCCCC1 1503431284 CYZKLRUQLBKCBJ-UHFFFAOYSA-N 473.599 2.437 30 10 JEEE COc1ccccc1Cc1nnc(N2CCO[C@@H](C#N)C2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1504409649 DXJWCDIRVSXHBR-ZVDOUQERSA-N 468.602 2.494 30 10 JEEE COC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)c2ccsc2)CC1)OC 1504592718 AOMCCATYEDSAPL-OAQYLSRUSA-N 496.593 2.414 30 10 JEEE C[C@H]1CN(CCN(C)c2nnc(COc3ccc(C#N)cc3)n2C[C@](C)(O)C2CC2)C[C@@H](C)O1 1505290738 DCBYHHDFSPGWCV-CEYNDMKZSA-N 468.602 2.435 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CCc2cccc(C)n2)c1 1507550361 JFSOETIKZXGING-OAQYLSRUSA-N 457.538 2.232 30 10 JEEE C#CCN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1C[C@H]1C)[C@H]1CCS(=O)(=O)C1 1507623462 SPUFJRGESIMIJS-AYBZRNKSSA-N 476.002 2.144 30 10 JEEE C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CCSCC 1507785116 NEBUMURSVMORES-LSDHHAIUSA-N 496.497 2.488 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1507796395 AEYUQEAPTITSQO-CMKODMSKSA-N 460.604 2.100 30 10 JEEE Cc1ccc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCO[C@@H](COC(C)C)C2)c(=O)n1C 1510895609 AGGRMMBVQUZADK-HSZRJFAPSA-N 492.580 2.414 30 10 JEEE C#CCSCC(=O)N1C[C@@H]2OC(=O)N(C3CCN(C(=O)OCc4ccccc4)CC3)[C@@H]2C1 1533632987 DIKQBDCBCIDHSF-UXHICEINSA-N 457.552 2.186 30 10 JEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1539132662 QDDHJOMLTMLUFF-UHFFFAOYSA-N 466.615 2.129 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1Cc1nccs1)[C@H]1CCS(=O)(=O)C1 1539212540 QDNSIYRLGBSMJH-HNNXBMFYSA-N 473.580 2.094 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1CCCCc1nc(C)cs1)[C@@H]1CCS(=O)(=O)C1 1539216525 UAVBNSCEOLAMJO-QGZVFWFLSA-N 471.612 2.150 30 10 JEEE C#CCN(c1nnc(COCC)n1Cc1nc(C(C)(C)C)cs1)[C@H]1CCS(=O)(=O)C1 1539230862 MKKXPWDZHDZWAG-HNNXBMFYSA-N 451.618 2.244 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(NC(=O)NC(C)C)cc2)CC1 1539480879 FRFXUWQJWFQTER-OAQYLSRUSA-N 493.612 2.326 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(OC)c(OC)c2)CC1 1539489868 PTQYYBSELCVOBO-REWPJTCUSA-N 497.596 2.033 30 10 JEEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1539900745 RZDALBRSCVJXAU-UHFFFAOYSA-N 484.605 2.174 30 10 JEEE C=CC[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(CC)C(=O)C1)c1ccccc1 1539940031 MWOFPHRHFSZDMZ-ICSRJNTNSA-N 474.631 2.307 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@H](c2nc(C)no2)C1 1540867457 XBBYNVAGNFZSBF-INIZCTEOSA-N 467.530 2.340 30 10 JEEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCN(CC(=O)N(C)C2CCCCC2)CC1 1540869979 BOKNESZANLTKOT-UHFFFAOYSA-N 471.650 2.151 30 10 JEEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@@H](C)N(CC)C[C@@H]2C)cc1 1540877281 PITRDHKOZAKKRM-QYZOEREBSA-N 476.647 2.420 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCC2CCCC2)C1 1540891964 CKPQNVQXIRGYQK-VQTJNVASSA-N 467.636 2.363 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCO[C@H](Cc2ccccc2)C1 1540901301 ZKRLQHKGISFZAQ-HXUWFJFHSA-N 455.584 2.332 30 10 JEEE CC(C)(C)OC(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1541218834 HYQDBTPAERQNOK-GOSISDBHSA-N 474.587 2.355 30 10 JEEE CCOCC(=O)N1CCC2(CC1)CN(c1ccc(C#N)c(C(F)(F)F)c1)C[C@@H]2C(=O)NCCOC 1548379736 YQJUWQJUDZLBAR-HXUWFJFHSA-N 496.530 2.421 30 10 JEEE COCCn1cc(Cn2c(-c3ccc(F)cc3Br)nnc2N2CCO[C@H](C#N)C2)cn1 1555568763 CXCDTTLQYGJZKY-MRXNPFEDSA-N 490.337 2.467 30 10 JEEE CS(=O)(=O)Cc1cccc(Cn2c(Cc3ccccn3)nnc2N2CC[C@](F)(C#N)C2)c1 1555800928 AGXCCLTZWXJPLA-QFIPXVFZSA-N 454.531 2.299 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC1(S(C)(=O)=O)CCC1 1587621245 QAIHLXLXYMYMCN-KRWDZBQOSA-N 482.610 2.490 30 10 JEEE C#CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCS(=O)(=O)CC=C 1587985172 VATJFPGUGJNQKZ-QGZVFWFLSA-N 451.593 2.063 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1CC1(N(C)C)CCC1)[C@@H]1CCS(=O)(=O)C1 1588039650 BHWBMLBYJUYWGZ-GOSISDBHSA-N 487.626 2.073 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H](Cc1ccccc1)OC)[C@@H]1CCS(=O)(=O)C1 1588064181 CHKSWSUIINFHMA-DHIUTWEWSA-N 479.606 2.148 30 10 JEEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1CCCCSC)[C@H]1CCS(=O)(=O)C1 1588065393 YDMGYWCERARZMW-IBGZPJMESA-N 472.640 2.287 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@@H]1CCC=CO1)[C@H]1CCS(=O)(=O)C1 1588069128 HRYYABPROUDZGH-ICSRJNTNSA-N 460.531 2.316 30 10 JEEE C#CCN(c1nnc(COc2ccccc2OC)n1CCOC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1588069862 UHWNFIINRFLHCA-SFHVURJKSA-N 476.599 2.308 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(NC(=O)CCC)cc1 1588228752 LLGGCHXLKXMYBL-HXUWFJFHSA-N 467.595 2.430 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1Cc1ccc(OC)nc1OC 1588646350 IYYIRRYITYSVDF-FQEVSTJZSA-N 465.510 2.337 30 10 JEEE C#CCN1CCN(c2nnc(CCN3CCN(c4ccccc4)CC3)n2C[C@H](OC)C(C)(C)C)CC1 1588858009 WRKNCSRQOQQISN-VWLOTQADSA-N 493.700 2.459 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C)nnc1N1C[C@@H](C(=O)OC)[C@H](CNC(=O)OC(C)(C)C)C1 1589494491 LZPLBVAVWMHXKI-WJFTUGDTSA-N 463.579 2.318 30 10 JEEE C=C(C)COCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(CC(F)(F)F)CC1 1593735888 SRBRBWLSHXWTOC-UHFFFAOYSA-N 491.518 2.469 30 10 JEEE C[C@H]1C[C@H](CCn2c(-c3cccc(C#N)c3)nnc2N2CCN(CC(=O)N(C)C)CC2)CCO1 1612679496 CTKSVQPHLFUPOD-VQTJNVASSA-N 465.602 2.232 30 10 JEEE CC[C@@H](C)N(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1613405603 DAHCYUQTWYEUKQ-GOSISDBHSA-N 473.647 2.407 30 10 JEEE CCS(=O)(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(N(C)C)nc2)CC1 1617355938 AXTMSIHGJUOLSH-UHFFFAOYSA-N 494.625 2.234 30 10 JEEE COC[C@H](C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1619583170 AKHBHBHUXSINII-QAPCUYQASA-N 457.966 2.363 30 10 JEEE C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2=O)C1 1638976280 CJAHVKBZUJOYPA-IEBWSBKVSA-N 456.543 2.396 30 10 JEEE C=CCO[C@@H]1CCN(CC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2N(C)C)C1 1645016371 ZSMLNZVBWBDGKF-GOSISDBHSA-N 450.605 2.143 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1cccc(NS(=O)(=O)c2ccc3nnn(O)c3c2)c1 1648749978 IBXRVCQYVBHCHU-QRWLVFNGSA-N 457.512 2.180 30 10 JEEE C#CCNS(=O)(=O)N1CCN(C(=O)c2oc3c(C)cc(Br)cc3c2C)CC1 1650846428 WYLCCYKYEJXSTG-UHFFFAOYSA-N 454.346 2.038 30 10 JEEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1689943371 QYDCPXREVQCWRB-IFMALSPDSA-N 456.635 2.355 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@@H]1CCOC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1689984920 YEGQYONBVHFWPR-YSIASYRMSA-N 458.584 2.253 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C)Oc2ccccc2C)CC1 1690110507 PAJHSLAEOSYHLM-HXUWFJFHSA-N 459.554 2.457 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3ccc4ccccc43)n2CC[S@](=O)CC)CC1 1690150395 GFMVZEQMLYOBMG-MGBGTMOVSA-N 466.611 2.016 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H](CC)N2CCCC2)CC1 1690152373 IUMAGKWYHLDJIB-HXUWFJFHSA-N 497.669 2.110 30 10 JEEE C=CC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCN2CCN(C(C)=O)CC2)CC1 1690402748 OLMYFDYQCXHQRS-UHFFFAOYSA-N 453.547 2.420 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)C[C@H]1CCCOC1 1690724791 WNOISCXVVJDEBX-XLIONFOSSA-N 462.572 2.254 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1690727011 RZPBUXZCBIRGMQ-UHFFFAOYSA-N 461.588 2.004 30 10 JEEE CC(=O)N1CCC(Cn2c(N3CCN(c4ncccc4C#N)CC3)nnc2C(C)(C)C)CC1 1690802172 JPDRJBQPJUJVAG-UHFFFAOYSA-N 450.591 2.427 30 10 JEEE CC[C@@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1694211396 CSXZJDBWNHUQQK-XLIONFOSSA-N 451.575 2.474 30 10 JEEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(C)CCOCC2)CCN1S(C)(=O)=O 1698453602 FGEANVDEBRLYII-KRWDZBQOSA-N 458.588 2.104 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CCCN1CCCO 1705504975 FRVMQNZWRYNKBT-HAGHYFMRSA-N 460.623 2.354 30 10 JEEE C#CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@H](C(=O)OC)C1 1705525822 VZEQPOXZJUZRKC-KRWDZBQOSA-N 458.588 2.349 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCCN1CCCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1705565129 GOSUFLBQOHCEKE-ACRUOGEOSA-N 463.648 2.411 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1Cc1ccnc(OC(F)F)c1)[C@H]1CCS(=O)(=O)C1 1705570737 QLCJZFWIIXCZHA-INIZCTEOSA-N 453.515 2.148 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@@H](C)N2CCC(C)CC2)CC1 1705649913 IIVCRYQWTIMBCR-OAQYLSRUSA-N 463.630 2.350 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2sc(C)nc2C)CC1 1705651118 KCFXDOFXDSMJMQ-UHFFFAOYSA-N 466.615 2.227 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@H](C)OC)CC1 1705653027 WTNRMUPXURPYOX-HKUYNNGSSA-N 474.606 2.351 30 10 JEEE C=C(Br)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1705679660 VMYUFCLZXWVCOJ-FQEVSTJZSA-N 493.793 2.487 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CCc2ccccc2)nnc1N(C)CC(=O)N1CCOCC1 1705706519 WGZHGZVGXBZBHR-ZJSXRUAMSA-N 453.587 2.340 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCN2CCCO[C@@H](C)C2)C1 1705916083 YMYOTQMNNSDJHR-PMACEKPBSA-N 469.590 2.208 30 10 JEEE C[C@H](C#N)CN(C)c1nnc(CNC(=O)c2cccs2)n1CCCN1CCCO[C@H](C)C1 1706076849 DGGFBVFNOJEUOO-QZTJIDSGSA-N 459.620 2.366 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1([S@@](C)=O)CCC1 1722294882 IDUVCJXUWFOSNT-LRIFPRNHSA-N 465.620 2.346 30 10 JEEE C#CCN(c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H](OC)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1722368650 UHOONDKRUIOTAD-YYWHXJBOSA-N 488.610 2.478 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC(=O)NCC(F)(F)F 1722387741 JYNCCUVIEDDPIV-HNNXBMFYSA-N 468.480 2.101 30 10 JEEE C#CCN(CCOC)c1nnc(COc2cc(C)cc(C)c2)n1CC1CCS(=O)(=O)CC1 1722427586 QQZYOECRSBWGTB-UHFFFAOYSA-N 460.600 2.385 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2Cc2c(C)nn(C)c2C)CC1 1722432099 SNKNMEXYKOSLSZ-UHFFFAOYSA-N 481.004 2.015 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@@H]2CCC=CO2)CC1 1722433521 YJGMLHKYFFCDJD-IBGZPJMESA-N 453.543 2.419 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1722453252 QNTMTLVEBOOTSG-UHFFFAOYSA-N 496.685 2.287 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1722508544 JMURPMFMDJQIKT-DENIHFKCSA-N 474.631 2.105 30 10 JEEE C=C(C)COCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1722531180 OVDPVVWCXALKOH-GOSISDBHSA-N 471.558 2.375 30 10 JEEE C=C(Cl)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1722546182 VVWDYDWIHGEEDI-JXFKEZNVSA-N 495.049 2.105 30 10 JEEE Cc1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)no1 1724220765 DVQUBBAIIFCAIU-LJQANCHMSA-N 456.528 2.087 30 10 JEEE CN(C)[C@]1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)CCSC1 1729326065 DKAHZFAMQZSBPU-UGKGYDQZSA-N 474.656 2.267 30 10 JEEE CN(C)CCOc1cccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@@](C)(C#N)C2)c1 1729337839 FHDQOULJDHLTBW-YKSBVNFPSA-N 486.642 2.299 30 10 JEEE C#CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@]1(N2CCOCC2)CCSC1 1740601583 FTCRXTVPJRPCAZ-IBGZPJMESA-N 465.421 2.313 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1C[C@@H](C)N1CCN(CC)CC1 1740679408 XVSRMRJSQDHCLZ-OAQYLSRUSA-N 481.620 2.205 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@]1(N(C)C)CCSC1 1740685307 DUVFJTPKXBWOFE-NZQKXSOJSA-N 457.600 2.314 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2CCN(C(=O)OC)CC2)CC1 1740702140 WSVBVNWCLBKCTO-UHFFFAOYSA-N 489.580 2.261 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H](c2ccco2)N(C)C)CC1 1740707018 LQBHTYDAGPRFEK-HXUWFJFHSA-N 481.626 2.496 30 10 JEEE C#CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1740713091 FAABKRIISOAMAJ-RHSMWYFYSA-N 464.975 2.334 30 10 JEEE C#CCSCCn1c(COc2ccccc2F)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1740723224 PQPHLUCQSAKJSS-KRWDZBQOSA-N 458.563 2.403 30 10 JEEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C(=O)NCCOC)CC1 1740782421 BZGSGQKLXGOWBN-LJQANCHMSA-N 492.621 2.142 30 10 JEEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C2CCOCC2)C1 1740864116 JUXFIDCUMVTZCO-WOJBJXKFSA-N 467.636 2.220 30 10 JEEE C=CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)NC)CC1 1740876628 KCKLJKJHRIZZOK-QGZVFWFLSA-N 463.583 2.014 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(c2nccc(OC)n2)CC1 1740952591 IWUZPDHRRQDFQI-FQEVSTJZSA-N 476.585 2.247 30 10 JEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N(CC)Cc1ccc2c(c1)OCO2 1740963726 VPMLYQGMZVVBMB-UHFFFAOYSA-N 451.531 2.197 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCNC(=O)c2cccs2)C1 1740970093 DRNSRVQQXMFISZ-INIZCTEOSA-N 467.555 2.198 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(C)(C)N2CCC[C@@H](C)C2)C1 1740982171 RZWBQNPRYWSBHO-VAMGGRTRSA-N 465.664 2.472 30 10 JEEE CC(=O)N1CCC[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N(C)C[C@@H]2CCOC2)C1 1741030138 DWXLFDGFDKDBJQ-RTWAWAEBSA-N 452.559 2.460 30 10 JEEE Cc1cccc(OCc2nnc(N3CCN(c4nccnc4C#N)C[C@H]3C)n2CC(=O)NC(C)C)c1 1742362642 CDOHJPFZOTVFMU-LJQANCHMSA-N 489.584 2.067 30 10 JEEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1745883208 BPCRIKCWUVROMG-FQEVSTJZSA-N 459.558 2.190 30 10 JEEE CO[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(c2ccccc2C#N)CC1)C(C)C 1748415485 AMJCUZKAMMFZQD-GHTZIAJQSA-N 489.646 2.148 30 10 JEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 1748718851 UTFQEKWHZUQZDX-ROUUACIJSA-N 465.620 2.429 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCCCN1CC)[C@@H]1CCS(=O)(=O)C1 1748809133 QNPUDASBMRQJDG-LEWJYISDSA-N 486.598 2.354 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ccc(F)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 1748811867 MSIXDPXCVNHVGG-OAHLLOKOSA-N 460.922 2.203 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCCn1ccnn1 1748886212 APZGSUYLMJJFLC-UHFFFAOYSA-N 469.553 2.381 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCCCO1 1748966032 ZHBDCGYQVZETKM-OALUTQOASA-N 463.579 2.242 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccccc2CN(CC)CC)CC1 1748971509 SMQRFGIYFSBZMW-UHFFFAOYSA-N 463.630 2.159 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(C(F)(F)F)cc2)CC1 1749015855 PRPWNPNPCLBDKJ-UHFFFAOYSA-N 488.514 2.433 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N(CC)CC)nc1 1749067908 YPRFYBAITVHLHI-WMZHIEFXSA-N 456.616 2.462 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)CCOC)CC1 1749342148 BZJNTNQCJDABQL-GOSISDBHSA-N 455.625 2.076 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCNC(=O)[C@H]1CC 1749726176 YYCWORHANURNLF-MAUKXSAKSA-N 482.006 2.387 30 10 JEEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1749741241 UUNPAFRJUOLQBZ-UHFFFAOYSA-N 473.603 2.129 30 10 JEEE C#CCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC(C(=O)NCC#C)CC1 1760157024 BHXSUCNXBKEDFZ-UHFFFAOYSA-N 487.652 2.022 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1CCC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1760181186 QRURWFITWHVRAC-ROUUACIJSA-N 491.589 2.099 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1Cc1cnn(CC)c1)[C@@H]1CCS(=O)(=O)C1 1760182009 AJUKYZRLTPJUBT-OAQYLSRUSA-N 452.584 2.399 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@@H](C)N(C)C1CC1)[C@H]1CCS(=O)(=O)C1 1760188569 BXFGXBPNNSKIKM-XLIONFOSSA-N 459.591 2.117 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@H](C)N1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1760190871 VNDWXRHKQWIMGY-UNMCSNQZSA-N 470.643 2.011 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Br)cc3)n2CCCn2ccnn2)CC1 1760266756 LLXPXLIFRVSVJE-UHFFFAOYSA-N 497.401 2.355 30 10 JEEE C=CCCCCn1c(Nc2cnn([C@H]3CC3(F)F)c2)nnc1[C@@H]1CN(S(C)(=O)=O)CCO1 1760430885 XHTDXXAFOFXABU-HOTGVXAUSA-N 471.534 2.488 30 10 JEEE C=CCCOCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1760452892 KTAWEQGNBKPKGB-CEXWTWQISA-N 474.606 2.262 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(Cc2csc(CC)n2)CC1 1760524466 YJSPMMVTJNWSSG-GOSISDBHSA-N 459.620 2.163 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC2CCN(C(=O)OC)CC2)C1 1760536166 DKCQPBPAWQTEIN-XXBNENTESA-N 463.579 2.190 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCc2cc(F)cc(C)c2C1 1760549126 WWYJCEGMSSQYEV-UHFFFAOYSA-N 461.563 2.125 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCO[C@H](COc2ccccc2)C1 1760555726 LNPRCWUJRPTCHD-LEWJYISDSA-N 476.599 2.405 30 10 JEEE C[C@H](CC#N)N(C)c1nnc(Cc2cccnc2)n1CCOc1ccc(S(C)(=O)=O)cc1 1761361290 FFBXVZYLICTAJA-QGZVFWFLSA-N 454.556 2.485 30 10 JEEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCC(CC#N)CC3)n2C[C@H]2CCC(F)(F)C2)C1 1771360323 BNRZRYGDRJZFOR-IRXDYDNUSA-N 472.562 2.176 30 10 JEEE CC[C@@H](NC(=O)CCS(=O)(=O)c1ccc(OC)c(OC)c1)C(=O)Nc1ccc(C#N)cc1 1866803976 ZDKDCVRFFPGVCB-GOSISDBHSA-N 459.524 2.273 30 10 JEEE CC[C@H](C)[C@@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O 1869935015 YPALPDGOFJVVHV-KPZWWZAWSA-N 454.508 2.004 30 10 JEEE COc1ccc(N2C[C@H](C(=O)Nc3c(C#N)nnn3-c3cccc(NC(C)=O)c3)CC2=O)cc1 1870160171 ZBTLQUUTQMAQFE-OAHLLOKOSA-N 459.466 2.098 30 10 JEEE C=CCn1cc(OCC(=O)Nc2cccc(C(C)=O)c2)c(=O)cc1CN1CCC(CO)CC1 1870646666 FMNKKBBPOFIVLO-UHFFFAOYSA-N 453.539 2.459 30 10 JEEE C=CCn1cc(OCC(=O)NCCCO)c(=O)cc1CNc1ccc(OCC)c(OCC)c1 1871260636 SBPBTFODFWRYOJ-UHFFFAOYSA-N 459.543 2.321 30 10 JEEE CC(C)C[C@H](C(=O)Nc1c(C#N)cnn1-c1ccccn1)N1C(=O)c2ccc(C(=O)O)cc2C1=O 1873681405 ARJSTNVNUCUTSB-GOSISDBHSA-N 472.461 2.487 30 10 JEEE CCN1CCN(CC#CCOC2CCN(C(=O)c3cccnc3N3CCCCC3)CC2)CC1 1889450307 UUZCLNKAWLZLLB-UHFFFAOYSA-N 453.631 2.334 30 10 JEEE N#C[C@H]1CN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)CCN1Cc1ccccc1 1914922941 SIAMEPREAXSGFT-FQEVSTJZSA-N 466.563 2.103 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CCS(C)(=O)=O)C(=O)N1CC[C@H]2C[C@]2(B2OC(C)(C)C(C)(C)O2)C1 2194129478 VHUKPHTUCNBZKG-DMPWYTOCSA-N 486.440 2.399 30 10 JEEE C[C@@H](CNS(=O)(=O)Cc1ccccc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2255800671 UNVGPIWMWRJJKI-HNNXBMFYSA-N 454.398 2.318 30 10 JEEE CCCSC[C@H](NC(=O)OC(C)(C)C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2256636159 JXXGRMMGIPUPJU-LBPRGKRZSA-N 472.442 2.234 30 10 JEEE COC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1occc1B1OC(C)(C)C(C)(C)O1 2267485065 FEBNSRUAGBQZDO-OAHLLOKOSA-N 450.341 2.287 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](CO)[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2267527390 GQQSKNSSRWVKCC-ZBFHGGJFSA-N 466.409 2.395 30 10 JEEE CO[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)N(C(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)C1 2267549952 SHBYVLODTPCMFU-ZIAGYGMSSA-N 467.397 2.197 30 10 JEEE CC1(NS(=O)(=O)Cc2cccc(B3OC(C)(C)C(C)(C)O3)c2)CN(C(=O)OC(C)(C)C)C1 2267709700 GNJNWDIYHRONIS-UHFFFAOYSA-N 466.409 2.415 30 10 JEEE CC(C)(C)OC(=O)NC1(C(=O)Nc2ccc(F)c(B3OC(C)(C)C(C)(C)O3)c2)CC(O)C1 2268713255 XSTJBDRCUZBLGD-UHFFFAOYSA-N 450.316 2.482 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(F)cc2B2OC(C)(C)C(C)(C)O2)C[C@@H](O)C1 2281756935 BFWMIZHUMDCNHH-MRXNPFEDSA-N 464.343 2.179 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)C[C@@]12CCOC2 2281822292 JNRUUDBRVBCSPF-QMHKHESXSA-N 462.352 2.477 30 10 JEEE Cn1ncc(C(=O)N2CC([C@H]3CCN(C(=O)OC(C)(C)C)C3)C2)c1B1OC(C)(C)C(C)(C)O1 2281833040 VTOHHQJKRHBJOK-HNNXBMFYSA-N 460.384 2.048 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C[C@H]1CC(F)F 2281978530 FEQMGTGUJOSBNQ-CYBMUJFWSA-N 470.326 2.426 30 10 JEEE CON(C(=O)c1c(C)nn(C)c1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2281998763 TUUXAAPMCFLQIF-OAHLLOKOSA-N 464.372 2.041 30 10 JEEE C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)CCN1C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282044992 XJRKHJKXGWKLND-JKSUJKDBSA-N 462.400 2.485 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@H]1COCCN1Cc1ccccc1 2282110317 OBUHZXPHKZZYAJ-NRFANRHFSA-N 453.392 2.438 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2CO)c1 2282125394 WIBZQMXRFLFVEG-QGZVFWFLSA-N 460.380 2.348 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@](CO)(NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)c(F)c2)C1 2282480758 LWYVJKITUXDXIN-HSZRJFAPSA-N 464.343 2.227 30 10 JEEE Cc1c(C(=O)N2CC[C@@H](CCNC(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282541887 FNIDSNASDFSXCJ-MRXNPFEDSA-N 462.400 2.405 30 10 JEEE Cn1cc(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 2282553485 RJEFNJPCISPXEQ-BFYDXBDKSA-N 460.384 2.237 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCC[C@H](CCNC(=O)OC(C)(C)C)C2)n1 2282553746 TUGRTYYPSDSCGC-MRXNPFEDSA-N 462.400 2.486 30 10 JEEE C[C@@H](CNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)o1)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 2282626369 GHWKBIHDIHJINM-WNSKOXEYSA-N 464.368 2.317 30 10 JEEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCCN(C(=O)OC(C)(C)C)C1(C)C 2282684837 WSSUSBMTBZYLNR-CQSZACIVSA-N 463.388 2.022 30 10 JEEE CC(C)(C)OC(=O)N1CC2(CCCN(C(=O)c3nccnc3B3OC(C)(C)C(C)(C)O3)C2)C1 2283061769 MYNIOHXILCEBMN-UHFFFAOYSA-N 458.368 2.249 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1NC(=O)[C@H]1COC[C@H]1NC(=O)OC(C)(C)C 2283964710 PYFJJVYMERFSHV-DOTOQJQBSA-N 462.352 2.473 30 10 JEEE CC(C)(C)OC(=O)N[C@H](C(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)cs1)[C@H](O)C(F)(F)F 2284129236 MHCXZNVKWMIPPT-KBPBESRZSA-N 494.341 2.480 30 10 JEEE COc1ccc([C@@H]2C(=C(O)c3ccco3)C(=O)C(=O)N2CCCN2CCOCC2)c(OC)c1 2297059917 QMLZKLIPWOWJRR-OAQYLSRUSA-N 456.495 2.441 30 10 JEEE CN(C(=O)c1nscc1B1OC(C)(C)C(C)(C)O1)[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1F 2320550459 DGXWLDSZVUDGDN-KGLIPLIRSA-N 455.361 2.472 30 10 JEEE COC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)(C)C)C2)n1N=Cc1cccc([N+](=O)[O-])c1 2327876152 DFEKDGIHMVYUPK-CQSZACIVSA-N 460.516 2.448 30 10 JEEE C=CCN(CC=C)c1nc(NC(=O)C=Cc2ccc(OC)cc2)n([C@H]2CCS(=O)(=O)C2)n1 2331675743 HABOVMHXJDPMNO-SFHVURJKSA-N 457.556 2.477 30 10 JEEE Cn1cc(C(=O)N[C@]2(C)CN(C(=O)OC(C)(C)C)CC2(F)F)nc1B1OC(C)(C)C(C)(C)O1 2361520911 BLEFMMMCCMVSOZ-HXUWFJFHSA-N 470.326 2.094 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(=NC[C@H](C)N2CCN(C(=O)OC(C)(C)C)CC2)[nH]1 2362166410 PIPORTSTWWRJQS-SFHVURJKSA-N 460.428 2.464 30 10 JEEE CCCCN/C(O)=N/S(=O)(=O)c1ccc(NC(=O)CN2CC(=O)Oc3ccccc32)cc1 31834664 WGERJYYNARPWIM-UHFFFAOYSA-N 460.512 2.043 30 10 JEEE C#CCN(CC(=O)O)C(=O)[C@@H]1OCC[C@H]1CNC(=O)OCC1c2ccccc2-c2ccccc21 757480615 RQGFQERKKMSHFG-BXKMTCNYSA-N 462.502 2.477 30 10 JEEE C=CCN(C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F)c1nc(C(=O)OCC)cs1 920242354 GRCLPWHMJSDIMG-UHFFFAOYSA-N 483.543 2.313 30 10 JEEE C=C(C)C[C@H](CO)NC(=O)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 1175917138 JFPAVBFZWXTPHU-CYBMUJFWSA-N 451.408 2.355 30 10 JEEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Cl)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1286301933 QAEQAFNYJJEDJF-DOTOQJQBSA-N 451.980 2.392 30 10 JEEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1286317270 QJCDQIBEXFRQMV-LJQANCHMSA-N 470.599 2.192 30 10 JEEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CCc1cccs1)[C@@H]1CCS(=O)(=O)C1 1286384538 RIQGJEIUJHQXMP-XMSQKQJNSA-N 478.640 2.250 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1CC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1286386376 ZDFIHJXUDIRDQX-DLBZAZTESA-N 462.547 2.099 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CC1(C(=O)N(C)C)CCCC1)[C@@H]1CCS(=O)(=O)C1 1286388862 WCKOPYRACLXKIU-OAQYLSRUSA-N 494.621 2.092 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1Cc1cccnc1OCC)[C@H]1CCS(=O)(=O)C1 1286392980 DFFWDMYXZYLHSM-FQEVSTJZSA-N 499.568 2.465 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C)[C@H]1CCS(=O)(=O)C1 1286398854 RECMNNPSPNDQIK-GBESFXJTSA-N 495.646 2.306 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCSCc2ccccc2F)CC1 1286492415 KLPVNARMLMVBEM-UHFFFAOYSA-N 498.628 2.439 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2N(C)CCCC2(C)C)CC1 1286495209 SNQWYEASODFNLQ-BDTNDASRSA-N 486.661 2.088 30 10 JEEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1286498768 AJKYEMPUGMDSNJ-CABCVRRESA-N 451.574 2.478 30 10 JEEE C=C(Br)Cn1c(N2CCC[C@@H](NC(C)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1286547510 HKHBZLRVXYIUSW-APWZRJJASA-N 456.385 2.332 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1286561308 AZFGEDGZWJMBOA-NQIIRXRSSA-N 458.607 2.076 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)OCCOC)nnc1N1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1 1286779343 IREYBLMFRISLSG-QYZOEREBSA-N 492.621 2.140 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1286789210 QKDXRYMAMGQJKJ-UHFFFAOYSA-N 478.519 2.374 30 10 JEEE CC(C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCCO2)CC1 1288248569 AQDKMXSHEQDOFB-NRFANRHFSA-N 451.575 2.032 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCS(=O)(=O)CC 1300303160 ITKIPLJITNALJX-DLBZAZTESA-N 453.609 2.285 30 10 JEEE C#CCN(c1nnc(C2CCCC2)n1CCS(=O)(=O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1300495400 HAZPGVFPQSRESW-LJQANCHMSA-N 476.624 2.036 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H](N1CCOCC1)C(F)(F)F 1300539041 WWXYWSIUXVBNBS-PMACEKPBSA-N 475.471 2.127 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@](C)(O)c2cccs2)CC1 1300684943 CTDILYPVOQELNQ-PKTZIBPZSA-N 459.616 2.043 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2CCCN2CCOC2=O)CC1 1300719242 SXSLWFJIGKWXFP-UHFFFAOYSA-N 450.543 2.062 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2cc(OC)ccc2OC)CC1 1300731246 FCAZYHUYLZXICJ-CVDCTZTESA-N 497.596 2.033 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(O)CCSC1 1300805738 HWFASPFQGAORPS-IMRHEYAYSA-N 477.631 2.447 30 10 JEEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(c2ccccc2C#N)CC1 1300972858 QMIDUWCSKMULFA-LJQANCHMSA-N 487.630 2.069 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(OC)c(OC)c2)CC1 1301124694 KCDYIIAQZKJQAM-NRFANRHFSA-N 491.614 2.079 30 10 JEEE C=CCn1c(-c2cc(Br)cn2C)nnc1N1CCC(NS(=O)(=O)CC)CC1 1301434339 KHOYPOMFBHTVAN-UHFFFAOYSA-N 457.398 2.140 30 10 JEEE C=CCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1301438647 WPKXDYHICMHLDT-UHFFFAOYSA-N 475.391 2.375 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1 1301508337 IKBLOZWJRVKTAK-PMACEKPBSA-N 481.601 2.402 30 10 JEEE COCCN(CCC#N)c1nnc(-c2cc(Br)c[nH]2)n1CCN1CCN(C)C(C)(C)C1 1301802738 DREOTMVRKMVLMS-UHFFFAOYSA-N 493.454 2.428 30 10 JEEE CS(=O)(=O)CCCn1c(-c2ccccn2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1302455503 BYBQBLBIOIARRT-UHFFFAOYSA-N 469.546 2.112 30 10 JEEE C#CCN1CCN(C(=O)CN[C@@H](C(=O)N2CCC(Cc3ccccc3)CC2)[C@@H](C)CC)CC1 1307632424 JBVLZPCCHYKREZ-BKMJKUGQSA-N 452.643 2.249 30 10 JEEE C=CCO[C@H]1CCN(S(=O)(=O)c2ccc(I)c(C(=O)OC)c2)C1 1309341249 AHZMAXGZBSJSCX-NSHDSACASA-N 451.282 2.043 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(CN2CCCC2=O)n1C[C@@]1(O)CCC[C@H]1C 1316089080 AJYJDUWMJKEODB-CLOONOSVSA-N 466.586 2.476 30 10 JEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2cc(N3CCOC3=O)ccc2F)c1 1355983419 CKTDLLLDTWOEEG-UHFFFAOYSA-N 451.454 2.269 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CCCC3)n2CCS(=O)(=O)NC(C)C)c1 1358902293 JXWVFCGUAFHZRV-UHFFFAOYSA-N 472.615 2.320 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1Cc1ccc(F)cn1)[C@H]1CCS(=O)(=O)C1 1358955124 FDBPMLPVPQSBQX-NRFANRHFSA-N 496.568 2.356 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@H](C1CC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1358956277 CTRDDAGXLNCEKC-FUHWJXTLSA-N 495.447 2.003 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Br)n1CCCOC)[C@H]1CCS(=O)(=O)C1 1358959426 IPTGHFUCFZNWRX-HNNXBMFYSA-N 467.389 2.371 30 10 JEEE C#CCN(CC#CC)c1nnc(COc2ccccc2OC)n1CC1(S(C)(=O)=O)CCC1 1358998140 RRLNAXVZRRNCPM-UHFFFAOYSA-N 456.568 2.296 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2cc(F)cc(OC)c2)CC1 1359029699 FOJITAABOBISCQ-DEOSSOPVSA-N 457.550 2.270 30 10 JEEE C=C(C)CN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1359107586 PWAUHYFDHMMPAW-RXVVDRJESA-N 455.625 2.003 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCCN(C(=O)c2ccc(Cl)cc2)CC1 1359300954 NOHSZNCXDGVERE-GOSISDBHSA-N 472.977 2.090 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1359329660 QEOKRWHLBAJQEL-FQEVSTJZSA-N 459.616 2.095 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 1359331937 KWKVGXXLOOCDIJ-SFHVURJKSA-N 493.655 2.453 30 10 JEEE C[C@H](C#N)CN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCN1CCCCC1=O 1359472209 HQURWEJHYABERB-QGZVFWFLSA-N 462.558 2.190 30 10 JEEE N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)cc1 1440822800 BWAGOGTVSZJBNL-UHFFFAOYSA-N 452.486 2.106 30 10 JEEE C#C[C@H](C)NC(=O)c1cc(S(=O)(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)ccc1C 1448152854 IEGXBQRADKPVGF-INIZCTEOSA-N 452.536 2.345 30 10 JEEE C#CCN(C(=O)CCCCn1cnc2c(N)ncnc21)C1CCN(C(=O)OC(C)(C)C)CC1 1471881725 PFZCOBIZEQLZLI-UHFFFAOYSA-N 455.563 2.440 30 10 JEEE C#CCCCCn1c(CC(C)C)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1507568953 VANNQMRPHNNLJR-QRVBRYPASA-N 479.647 2.407 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@H](OC)C(C)C)CC1 1507729604 IXQWLMDOYMFPCG-WOJBJXKFSA-N 476.622 2.013 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2CC[C@@H](C(F)F)N2CCOCC2)CC1 1507731671 ANVREACGLULASE-QFIPXVFZSA-N 488.583 2.277 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCC2(O)CCC2)CC1 1507733415 XZGRHJLBRVPATC-KDURUIRLSA-N 458.607 2.109 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(F)cc2C(F)(F)F)CC1 1507737507 AMISQIJPGRQAMM-SFHVURJKSA-N 492.477 2.401 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCC2CC(OCC)C2)CC1 1507739635 DVDGKLZAYBPGGB-UHFFFAOYSA-N 467.618 2.311 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N(C)CCS(=O)(=O)CC 1507806513 SNLWJPIIMHFCHS-APWZRJJASA-N 453.634 2.486 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1507825449 XBWCCNVARRGROI-LJQANCHMSA-N 472.615 2.363 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(N2CCCC2)cc1 1507832127 OPAXTZDVCFYNOO-NRFANRHFSA-N 474.631 2.424 30 10 JEEE C=CCCCCn1c(-c2cccc(Br)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1507927180 YIYZWDXEDKCGLO-KRWDZBQOSA-N 473.375 2.211 30 10 JEEE C=CCCOCCn1c(-c2ccc[nH]2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1507960630 QBXSFEKPGGYYIB-OYRHEFFESA-N 469.634 2.492 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1508078443 AQTASBOPUWRUAU-UHFFFAOYSA-N 497.625 2.046 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1508093135 TZIRBUYWYRSUNM-NRFANRHFSA-N 468.602 2.016 30 10 JEEE CCN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1Cc1csc(COC)n1 1515769985 CHRAYEMCTHNABQ-UHFFFAOYSA-N 460.585 2.339 30 10 JEEE Cn1ncc(CCCn2c(-c3cc(F)ccc3Br)nnc2N2CCO[C@H](C#N)C2)n1 1517425560 AKXBSAVAEUXEDM-OAHLLOKOSA-N 475.326 2.337 30 10 JEEE CNC(=O)C(C)(C)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N(C)[C@@H](C)CC#N 1517442078 ICRKOCHELHZNLM-FQEVSTJZSA-N 466.634 2.153 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)CN1C(=O)N[C@@](C)(c2ccc(Br)cc2)C1=O 1538571847 JKJSIYAJTHLXMA-ROOHIHILSA-N 450.333 2.314 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccn(C)n2)c1 1539040135 NFMYQZYHXSZYPD-VWLOTQADSA-N 477.569 2.157 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3noc4c3COCC4)n2CCCOCC)c1 1539040585 YCBMZJXUPHBIPD-UHFFFAOYSA-N 464.526 2.489 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2ccccc2F)n1CCCOC)[C@@H]1CCS(=O)(=O)C1 1539206804 WDFNCBSDGPTYBX-IAGOWNOFSA-N 450.536 2.220 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1C[C@@H]1CCOC[C@@H]1OC)[C@H]1CCS(=O)(=O)C1 1539210874 FBDRYVGHWLVGRU-FKBYEOEOSA-N 472.611 2.186 30 10 JEEE C#CCN(c1nnc(C2CCC2)n1CC1CCN(CC(F)(F)F)CC1)[C@@H]1CCS(=O)(=O)C1 1539222624 WXKQCKCMRYYCFR-GOSISDBHSA-N 473.565 2.447 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CCc1c(F)cccc1F)[C@H]1CCS(=O)(=O)C1 1539226060 UCTWHEJZQYMKRW-SFHVURJKSA-N 471.533 2.412 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2CCC(=O)N[C@@H](C)CC)CC1 1539474676 WTHPZCHTZKJUFP-SFHVURJKSA-N 466.586 2.224 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCNS(=O)(=O)CC 1539541557 IZSRVKARGIVDGT-JOCHJYFZSA-N 453.572 2.267 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CC(=O)N(CCOC)C1 1539566610 MWCFRIMBPJQLJB-NBGIEHNGSA-N 462.554 2.216 30 10 JEEE C=CCCCn1c([C@@H]2CCCOC2)nnc1N1C[C@@H]2[C@@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1539999261 YYHXDGGRTKLFCY-YRXWBPOGSA-N 495.646 2.265 30 10 JEEE C=CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCCN(C(C)=O)C1 1540191069 BLZJWOKVEZUEIO-LJQANCHMSA-N 475.615 2.246 30 10 JEEE C=CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1540857617 JACAIQMFUFDEKR-DLBZAZTESA-N 468.624 2.049 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N1C[C@H](C)O[C@H](C)C1 1540898198 CKOFEBBYOIZJSX-OKILXGFUSA-N 472.409 2.261 30 10 JEEE CC(C)(O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CN2CCOCC2)CC1 1541246844 DSWLEEISAIBBCR-UHFFFAOYSA-N 468.602 2.438 30 10 JEEE CCO[C@@]1(c2nnc(N3CCC(CC#N)CC3)n2C[C@@H](C(C)C)N2CCOCC2)CCOC1 1547887614 AONKTVWYLSEGRB-URXFXBBRSA-N 460.623 2.417 30 10 JEEE COCC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC[C@@H](F)C2)CC1 1555204441 DJSZJKHEMIPIBA-RTBURBONSA-N 456.522 2.162 30 10 JEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(=O)c2ccsc2)CC1 1587707170 XQRYHECNSLEVCD-QGZVFWFLSA-N 478.644 2.106 30 10 JEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1587822873 DLWBXMYJWYOEJF-UXHICEINSA-N 457.600 2.472 30 10 JEEE C#CCCCn1c(N2CCN(CC(=O)N(C)C3CCCCC3)CC2)nnc1[C@@]1(OCC)CCOC1 1587893649 GREOBKNKBVBJJS-AREMUKBSSA-N 486.661 2.257 30 10 JEEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(OC)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1588035865 YMLRBNZAJGOETR-HYBUGGRVSA-N 494.658 2.295 30 10 JEEE C#CCN(c1nnc(COc2ccccc2CC)n1CCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1588069696 SMIKALMLLYLYLX-OAQYLSRUSA-N 482.610 2.251 30 10 JEEE C#CCN(c1nnc(COCC)n1C[C@@H](C)Oc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1588074235 LHABQRZNISIHDW-SJLPKXTDSA-N 450.536 2.048 30 10 JEEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1Cc1cccc(CN2CCO[C@@H](C)C2)c1 1588158548 GTIBGHOHBRFKBO-QHCPKHFHSA-N 471.609 2.482 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CC[C@@H](N2CCOCC2)C(F)(F)F)CC1 1588946967 JIXUMBYUCXZTLR-LJQANCHMSA-N 484.567 2.096 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N(C)CCNS(=O)(=O)c1ccc(C)cc1 1589528451 GKARSDABYIUIJN-DENIHFKCSA-N 499.641 2.383 30 10 JEEE C=CCn1c(N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1595461394 SRRKSEQNWAHAFM-VGOFRKELSA-N 451.568 2.235 30 10 JEEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1595529854 JXOUVVSPBRWHKE-QGZVFWFLSA-N 470.599 2.143 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N(C)CC1CN(C(=O)OCc2ccccc2)C1 1595545071 QSKWSXMIIDVPJW-NRFANRHFSA-N 482.585 2.179 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C2CC(C(C)(C)C)C2)C1 1595729433 MLGXLIWCDUSMMY-BTRQGYIVSA-N 467.636 2.390 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(c2ccc(OC)cc2)CC1 1595788626 DXWDSUQWCPCIOC-HXUWFJFHSA-N 473.599 2.223 30 10 JEEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1Cc1ccc(OCCN(C)C)cc1 1614028528 GSXLCSPODBTXDA-LJQANCHMSA-N 475.601 2.206 30 10 JEEE C=CC1(CC(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCOCC2)CN(C(=O)OC(C)(C)C)C1 1638124077 SBFRHRYUMWHZKG-FQEVSTJZSA-N 457.571 2.386 30 10 JEEE C=C(C)C[C@@H](NS(=O)(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1Cl)C(=O)OC 1665501515 WQQZCILLJOZGHW-OAHLLOKOSA-N 452.982 2.157 30 10 JEEE CS(=O)(=O)CCOc1ccc(NC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 1671640824 CUVZULTZOXIXMA-HXUWFJFHSA-N 456.524 2.299 30 10 JEEE C=CCn1cc2ccc(NC(=O)N3CCN(C(=O)OC(C)(C)C)[C@H]4CS(=O)(=O)C[C@H]43)cc2n1 1675017857 OKXQATKXTJOBEQ-MOPGFXCFSA-N 475.571 2.473 30 10 JEEE C#C[C@H](NC(=O)N(CC)[C@@H](C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)[C@@H]1CCCO1 1681811984 GOEAMRNQZNBAOU-FHWLQOOXSA-N 450.580 2.057 30 10 JEEE C#CCN(c1nnc(CCOc2ccccc2)n1C[C@@H]1CCO[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1689994482 ZDBHDXHDQMCRTE-PWRODBHTSA-N 472.611 2.341 30 10 JEEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1CCc1nccnc1C)[C@H]1CCS(=O)(=O)C1 1689997243 YRPOIRRFWYWJNG-NRFANRHFSA-N 494.621 2.442 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCCN2C[C@@H](C)C[C@@H](C)C2)CC1 1690113433 JOOGWSGNJFKSOM-ZEVJAHDQSA-N 472.678 2.442 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@@](C)(O)c2cc(C)oc2C)CC1 1690154647 VOOFAYUFBCTULS-HYBUGGRVSA-N 455.559 2.213 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCS(=O)(=O)CC 1690211273 XIJSBWDGNFNAQE-RUZDIDTESA-N 484.670 2.070 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1690258661 OLCNRGHICVMBLF-XDOYNYLZSA-N 484.582 2.277 30 10 JEEE C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1690277368 QTZOPWXVTBXHTH-UHFFFAOYSA-N 464.368 2.186 30 10 JEEE C=C(C)COCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1C[C@H](OC)[C@H](OC)C1 1690309761 JQUFLOIAVFHBJS-BGYRXZFFSA-N 468.558 2.118 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1690661045 TVOOHWRXLNLRRW-HKARXFIJSA-N 459.522 2.244 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1690676122 QIZRSWOTGVHORD-XJKSGUPXSA-N 457.428 2.454 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2Cc2ncn(C)n2)C1 1690699591 HAACKPAJPWNXHF-SFHVURJKSA-N 472.594 2.351 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC(C)(C)C(=O)NC)C1 1690700186 OQISUYNRRJCLDH-MSOLQXFVSA-N 492.621 2.140 30 10 JEEE N#C[C@H]1CN(c2nnc(-c3cccc(Br)c3)n2C[C@H]2CCCN2CCCO)CCO1 1698490582 DPXDADHUXGPTPS-MOPGFXCFSA-N 475.391 2.283 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCCOc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1705567267 VEKSAAKYKBUCMI-VQTJNVASSA-N 488.610 2.277 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@@](C)(O)c1ccco1)[C@H]1CCS(=O)(=O)C1 1705570395 MVUJFOGKNZLOKC-FDDCHVKYSA-N 472.542 2.135 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC[C@@](C)(CC)O1 1705716568 OHUVBIYGKKYILL-BBTUJRGHSA-N 455.625 2.361 30 10 JEEE C=C(C)COCCn1c(-c2cccc3cccnc23)nnc1N(C)CC(=O)N1CCOCC1 1705732598 FFFUBGXKQMAKEY-UHFFFAOYSA-N 450.543 2.381 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCCC1 1705934525 OPYIIOCEAWWSSZ-UHFFFAOYSA-N 456.572 2.266 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2C[C@@H](C)N2CCN(CC)CC2)c1 1722305840 VPOCMDWSUZRNNY-HXUWFJFHSA-N 474.613 2.355 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1Cc1nnc(C)s1)[C@H]1CCS(=O)(=O)C1 1722363919 CPMZQUSTCAIISA-SFHVURJKSA-N 456.597 2.012 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](C)CN1CCCC1 1722394570 WZUOOAUOBUUYSJ-FQEVSTJZSA-N 467.643 2.433 30 10 JEEE C#CCN(CC)c1nnc(-c2cc(Br)cn2C)n1CCCN(C)S(=O)(=O)CC 1722406378 XTPXZEUBJVJVDE-UHFFFAOYSA-N 471.425 2.177 30 10 JEEE C#CCN(CCOC)c1nnc([C@]2(OCC)CCOC2)n1Cc1cccc(C(F)(F)F)n1 1722420766 IEIMORIUCRUJTO-FQEVSTJZSA-N 453.465 2.478 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2CC[C@@](C)(CC)O2)CC1 1722434779 ZWXSGOBSXBHGNP-HYBUGGRVSA-N 471.627 2.452 30 10 JEEE C#CCN1CCN(c2nnc(CC3CCCC3)n2Cc2ccc(CS(C)(=O)=O)cc2)CC1 1722439815 QNNITVOQQUKHLE-UHFFFAOYSA-N 455.628 2.359 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Br)c3)n2CCCn2ccnn2)CC1 1722443143 DEIBZTNQLSJBNT-UHFFFAOYSA-N 497.401 2.355 30 10 JEEE C#CCSCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1722451469 CVACMRRWCYUMRA-YLJYHZDGSA-N 466.567 2.062 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(OC)cc1OC 1722475593 VVOHKGVQHFVFPG-FDDCHVKYSA-N 458.584 2.432 30 10 JEEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCNC(=O)[C@H]1CC 1722551719 FJMADFNIWACIRU-CABCVRRESA-N 454.959 2.054 30 10 JEEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](CC(C)C)NC(=O)OCC)CC1 1722565818 CCNFNFJVRXGTEO-ROUUACIJSA-N 453.609 2.497 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2csc(CC)n2)CC1 1722583289 RTNKFABVBKGURC-SFHVURJKSA-N 480.660 2.275 30 10 JEEE C=CCCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@]2(CCc3ccccc32)C1 1722622254 KLGTXZSQLSLBCI-WZONZLPQSA-N 475.615 2.159 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCOCC1 1722659104 QDDUWYAWHFLRKG-NRFANRHFSA-N 475.615 2.230 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCC(=O)N2)n1CCCN1CCC(O)CC1 1722659936 HVIOWVUKDPVXPY-NRFANRHFSA-N 456.566 2.408 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Br)cc2)nnc1N(C)Cc1cnccn1 1722702218 LJBVZAVPMAEBQB-UHFFFAOYSA-N 472.347 2.348 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@H]2CCOC2)C1 1722716651 XJYJBZLCDUPJIG-HKUYNNGSSA-N 461.588 2.013 30 10 JEEE C=CCSCCn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1722743842 KKJCTMXGXLIIOT-QGZVFWFLSA-N 461.592 2.106 30 10 JEEE CN(CCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccccc2C#N)CC1)CC(F)(F)F 1729535301 FEEDJTXFHSIDEM-UHFFFAOYSA-N 490.534 2.093 30 10 JEEE COC(=O)N1CCC(Cn2c(CNC(=O)c3cccs3)nnc2N2CCC(C#N)CC2)CC1 1729786912 IDZKSONGMILXSL-UHFFFAOYSA-N 471.587 2.488 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](CC)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1740619627 KOQZSAGRSZJKPP-RTBURBONSA-N 477.034 2.495 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@H](C)N1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1740624015 CEHVOLXHQFZUQG-JAXLGGSGSA-N 470.643 2.011 30 10 JEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cccc(C(=O)N(C)C)c1 1740637309 XQMKJMNQMXWRIJ-UHFFFAOYSA-N 489.605 2.061 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1740680512 FACXYRDHTUTEGF-QGZVFWFLSA-N 491.614 2.348 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(OC)cc3)n2Cc2cc(C)on2)CC1 1740707961 XAPGBCIREFIUOM-UHFFFAOYSA-N 464.526 2.176 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](SC)C(C)(C)C 1740731901 LDLFBYYOLZPHGE-CBGDNZLLSA-N 469.677 2.381 30 10 JEEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(O)(c2c(F)cccc2F)CC1 1740787469 ISPCGRYOWJDEEL-MRXNPFEDSA-N 499.584 2.247 30 10 JEEE C=CCCOCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C(=O)NC)CC1 1740887294 BQHGXKCDPGZXML-UHFFFAOYSA-N 452.357 2.090 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2cc(C)nc(C(C)C)n2)CC1 1740960021 JCDJHLBYKFOOND-IBGZPJMESA-N 468.606 2.023 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1740960859 DNLBUAVOICCRJN-PZJWPPBQSA-N 473.021 2.372 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ccccc2OCC)CC1 1740993037 XOJCJUKRJFSYBG-HXUWFJFHSA-N 489.642 2.498 30 10 JEEE CC(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1741553862 BHDXXWYUMFMTDT-NRFANRHFSA-N 488.614 2.016 30 10 JEEE CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C 1741657631 AFIRROLWCDRTGM-YCRPNKLZSA-N 451.547 2.408 30 10 JEEE COc1cc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCC2(O)CCOCC2)cc(OC)c1OC 1748520605 GEBXGOPPUNAXSB-QFIPXVFZSA-N 475.521 2.344 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(-n2ccnc2C)c(F)c1 1748670534 AAAUZPXRMYDJGT-YJBOKZPZSA-N 456.547 2.320 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1nc(C(F)(F)F)cs1)[C@@H]1CCS(=O)(=O)C1 1748819190 MBKJSMZIBAWADM-OAHLLOKOSA-N 496.540 2.414 30 10 JEEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CC[C@@H](C)c2ccc(OC)cc2)CC1 1748994181 CFXKHRGALFMWOV-HXUWFJFHSA-N 450.587 2.358 30 10 JEEE C#CCSCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1749023785 WOHPGOAJGXLPKV-SJLPKXTDSA-N 486.573 2.396 30 10 JEEE C#CCSCCn1c(CC(C)C)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1749038431 RYNTYEAGEZZFJL-UHFFFAOYSA-N 468.674 2.119 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@]1(C)COCCO1 1749147710 PFKIRZKIWUCWCG-JOCHJYFZSA-N 463.604 2.403 30 10 JEEE C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](CN2CCOCC2)C1)c1ccccc1 1749242353 GZPYVMGCTQEPIE-LEWJYISDSA-N 488.658 2.150 30 10 JEEE C[C@@H](Cc1cccs1)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1751112175 CASXCGOQNVVUIT-LPHOPBHVSA-N 478.644 2.291 30 10 JEEE Cc1ncsc1CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1751345064 FEAPAVQACQPEDI-HNNXBMFYSA-N 471.612 2.295 30 10 JEEE C#CCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1760151419 AQBCNJBXMIKKIH-UHFFFAOYSA-N 467.599 2.452 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1CCNC(=O)[C@@H](C)CCC)[C@H]1CCS(=O)(=O)C1 1760184854 MTFJNRUHOKYZMG-PMACEKPBSA-N 471.627 2.433 30 10 JEEE C#CCN(c1nnc(-c2ccc(OCCC)c(OC)c2)n1Cc1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 1760185146 QMZGKMWIVPFSPE-FQEVSTJZSA-N 498.609 2.151 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccc(Cl)cc2Cl)n1CCN1CCN(C(C)=O)CC1 1760210047 LNQRJPQMGJVDID-UHFFFAOYSA-N 489.407 2.401 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCN(C)[C@H](C)CC)CC1 1760251600 CUWNBLAJMDLXOB-LJQANCHMSA-N 472.037 2.347 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2CC2([S@](C)=O)CCC2)CC1 1760270617 SRGMUONXARRECL-UMSFTDKQSA-N 489.592 2.414 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(Cc2cccnc2)n1CCc1ccc(S(N)(=O)=O)cc1 1760295825 IJMKJDNREOCIEF-HSZRJFAPSA-N 450.568 2.146 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1CC[C@H](C(F)F)N1CCOCC1 1760299108 HPGTVWANTIVCBY-QPXQOZNCSA-N 467.561 2.350 30 10 JEEE C=C(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1760341172 FGIDCUZELOTQSC-SFHVURJKSA-N 485.976 2.204 30 10 JEEE C=CCCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1760420975 AJBVZCCTRNAKHT-UHFFFAOYSA-N 461.611 2.127 30 10 JEEE C=CCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 1760509377 ACMPIDHANQVNQA-OAHLLOKOSA-N 489.627 2.269 30 10 JEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(COc2ccccc2)CC1 1760510418 WZQYOXCLXRQECY-HXUWFJFHSA-N 461.588 2.092 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCCN(Cc2noc(C)n2)CC1 1760516447 NMOHUTHJONSPOZ-KRWDZBQOSA-N 498.563 2.263 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CCN(C(C)=O)C[C@@H]1C 1760519649 KSFLKVCLCXZEII-AWEZNQCLSA-N 461.364 2.067 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC(CC(=O)NC2CCCC2)CC1 1760520708 XNURTLWABFRXKA-UHFFFAOYSA-N 451.575 2.308 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1760526108 DOADVYHOEAGSSR-UHFFFAOYSA-N 476.585 2.201 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1760532064 JXBNOPMPYZBSDH-PLOVASNDSA-N 475.615 2.363 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1760553024 JMNXDPVGZRWADX-FQEVSTJZSA-N 467.599 2.441 30 10 JEEE N#C[C@H]1CN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@@H]2COCCO2)CCO1 1770750970 BGFDHWOVNOODGP-LSDHHAIUSA-N 454.314 2.308 30 10 JEEE C=CCNC(=O)[C@H](Cc1ccc(OC(C)=O)cc1)NC(=O)C1CCN(C(=O)c2ccccc2)CC1 1860928381 AGBWCELUURKCCN-DEOSSOPVSA-N 477.561 2.494 30 10 JEEE C=CCN(CC=C)C(=O)[C@@H](Cc1ccc(OC(C)=O)cc1)NC(=O)c1ccc(=O)n(CC)c1 1861981403 ZGEKVLDXDXVQCF-JOCHJYFZSA-N 451.523 2.335 30 10 JEEE O=C(C1=C(O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccc([N+](=O)[O-])cc1)c1cccc(O)c1 1862593361 HDCFTPQXKMFXTC-HXUWFJFHSA-N 453.451 2.211 30 10 JEEE C=CCN(CC=C)C(=O)[C@@H](CCC)NC(=O)CCS(=O)(=O)c1ccc(OC)c(OC)c1 1868738603 LPVRRRMHWPBLCM-GOSISDBHSA-N 452.573 2.353 30 10 JEEE N#Cc1ccc(COc2cn(CCCN3CCCC3=O)c(CN3CCOCC3)cc2=O)cc1 1870347653 NFMUGNKRHPPNAA-UHFFFAOYSA-N 450.539 2.144 30 10 JEEE C=CCn1cc(OCC(=O)N(CCC)CCC)c(=O)cc1CN1CCN(C(=O)OCC)CC1 1870461116 STGRCFSYPHPHGX-UHFFFAOYSA-N 462.591 2.336 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)Nc2cccc(OC)c2)cn1CCNC(C)=O 1870653078 RJQIQPCOFNOYIA-UHFFFAOYSA-N 468.554 2.185 30 10 JEEE C=CCn1cc(OCC(=O)Nc2ccc(C)c(C)c2)c(=O)cc1CN1CCC(C(N)=O)CC1 1870751715 QBWSFJWMRJYBTI-UHFFFAOYSA-N 452.555 2.366 30 10 JEEE C=CCOc1ccccc1OCC(=O)NCCNC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 1873696108 RWLOEONEPRTWAU-KRWDZBQOSA-N 455.486 2.055 30 10 JEEE CC(C)N1C(=O)CS[C@H](C(=O)N2[C@H]3CC[C@H]2CC2(C3)CN(C)C(=O)CO2)[C@H]1c1ccc(C#N)cc1 1889540772 NHICPRWGGHZRKW-JVODISISSA-N 496.633 2.333 30 10 JEEE CN[C@](C#N)(Cn1cnc(I)c1I)C1CCOCC1 2142972546 BNEWMFHZRCDXJP-GFCCVEGCSA-N 486.095 2.001 30 10 JEEE COC(=O)[C@@H](CC(=O)N(C)c1cccc(B2OC(C)(C)C(C)(C)O2)c1)NC(=O)OC(C)(C)C 2180981309 SLWGVHRRMXBTQG-QGZVFWFLSA-N 462.352 2.405 30 10 JEEE CCc1nc(C(=O)NOC2CN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2255804007 XTZCRMPIMYCXAN-UHFFFAOYSA-N 453.370 2.285 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)s1 2256605490 LDYZACLOJJVSIC-HNNXBMFYSA-N 452.382 2.299 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1COCC[C@@H]1NC(=O)OC(C)(C)C 2267123080 ATDSRJFVHUKCKM-KBPBESRZSA-N 467.397 2.163 30 10 JEEE Cc1cc(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 2267150090 ASMCVZOUVHVIDF-HZPDHXFCSA-N 466.409 2.456 30 10 JEEE CC(C)(C)OC(=O)NCCc1nc(=NC(=O)c2occc2B2OC(C)(C)C(C)(C)O2)s[nH]1 2267180977 LNTJSQQPPDACID-UHFFFAOYSA-N 464.353 2.172 30 10 JEEE CN(C[C@H]1CCN1C(=O)OC(C)(C)C)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2267462891 GAFHYAQQPWAERK-CQSZACIVSA-N 487.453 2.213 30 10 JEEE C=C(CS(=O)(=O)N1CC[C@H]2OCCN(C(=O)OC(C)(C)C)[C@H]2C1)B1OC(C)(C)C(C)(C)O1 2267463816 KQBAVVJQXOBQNL-DLBZAZTESA-N 472.413 2.214 30 10 JEEE C=C(CS(=O)(=O)N1CC[C@]2(CN(Cc3ccccc3)CCO2)C1)B1OC(C)(C)C(C)(C)O1 2267474675 YWPBNSSNUQPEJK-QHCPKHFHSA-N 462.421 2.481 30 10 JEEE CC(C)(C)OC(=O)NC1CCS(=O)(=NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CC1 2267526005 LPWLFDXZIOXJFE-UHFFFAOYSA-N 468.385 2.004 30 10 JEEE C[C@@H](NC(=O)[C@]1(NC(=O)OC(C)(C)C)CCOC1)c1nscc1B1OC(C)(C)C(C)(C)O1 2268645377 UOPAVSVVORDCJP-ASSNKEHSSA-N 467.397 2.303 30 10 JEEE C[C@@H](CCNC(=O)OC(C)(C)C)CCNC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2268671231 KHDSWHXBCIJUNI-OAHLLOKOSA-N 450.389 2.390 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1)[C@@H]1CCCO1 2268700920 MORSWHZZZYJXPH-XJKSGUPXSA-N 467.397 2.131 30 10 JEEE CC(C)(C)OC(=O)N[C@]12CO[C@](C(=O)NCc3ccc(B4OC(C)(C)C(C)(C)O4)cc3)(C1)C2 2280791010 MSRNHJKZPYRLSR-RQNOJGIXSA-N 458.364 2.428 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@H]2CCN(C(=O)c3nscc3B3OC(C)(C)C(C)(C)O3)C[C@@H]21 2281799650 YJQBDUXQNCEABT-HOTGVXAUSA-N 479.408 2.293 30 10 JEEE COC(=O)C1(NC(=O)OC(C)(C)C)CC(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2281961139 JITUBAXJWHDBDM-UHFFFAOYSA-N 480.392 2.376 30 10 JEEE C[C@@H](NC(=O)OC(C)(C)C)C1CCN(C(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)CC1 2281964924 FIDJVWVJEFBSHL-OAHLLOKOSA-N 462.400 2.485 30 10 JEEE Cc1c(C(=O)N2C[C@@H](NC(=O)OC(C)(C)C)C3(CC3)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281978404 CFXUSHOCBWYKCC-OAHLLOKOSA-N 460.384 2.157 30 10 JEEE CCO[C@@H]1C[C@H](NC(=O)OC(C)(C)C)[C@@H]1NC(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2282177645 AFTBIVBBWZTQCA-JZXOWHBKSA-N 461.368 2.181 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](CO)[C@H](NC(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282191243 MMHJIRIRMDIZOL-PKOBYXMFSA-N 460.380 2.334 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@H](CNS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282301902 SHCOFMHEDLTPOQ-MRXNPFEDSA-N 481.424 2.306 30 10 JEEE Cn1cc(C(=O)N2C[C@H](NC(=O)OC(C)(C)C)CC(F)(F)C2)nc1B1OC(C)(C)C(C)(C)O1 2282551528 DVAIGFQYEZDDTD-CYBMUJFWSA-N 470.326 2.094 30 10 JEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NCC[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 2282566426 YHNDGMQNOPXNTP-HSZRJFAPSA-N 464.368 2.379 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2CCN(C(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)CC[C@@H]2C1 2282579681 IAVFOPKYXKOVSC-HZPDHXFCSA-N 460.384 2.428 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](NS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)[C@H]2C[C@H]21 2282868814 SRVSQYFSKDJDOS-FGTMMUONSA-N 479.408 2.057 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@@H](C(=O)Nc3ccc(B4OC(C)(C)C(C)(C)O4)cn3)[C@@H]2C1 2284017179 DPXOWVKWBGGBIG-BBWFWOEESA-N 459.352 2.201 30 10 JEEE Cn1nnc(CNC(=O)OC(C)(C)C)c1C(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)cs1 2284042033 RAXCSXLLCHRQQI-UHFFFAOYSA-N 477.396 2.131 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@@]2(C(=O)Nc3cccc(B4OC(C)(C)C(C)(C)O4)n3)CO[C@H]1C2 2284132771 JSPBEZZSSMGNJF-NPGVVQFXSA-N 459.352 2.392 30 10 JEEE O=C(O)c1ccc(C=Nn2c(SCCO)nnc2[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1 2325924753 CGMZLJLCLVZWHY-LJQANCHMSA-N 465.535 2.459 30 10 JEEE COCC1(NC(=O)OC(C)(C)C)CC(C(=O)O)(N2CCN(Cc3ccccc3)[C@H](C#N)C2)C1 2347122070 FMPWXFJVVZOLRL-NNAHLOSHSA-N 458.559 2.223 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@@](F)(CNC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C1 2362495722 AHBAWNAWIPZXDF-OAQYLSRUSA-N 485.387 2.148 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(C(=O)OC(C)(C)C)[C@@H]2CCC[C@@H]21 2367687624 UQRYKHMLKDKQLP-DLBZAZTESA-N 460.384 2.333 30 10 JEEE Cc1[nH]c(C)c(S(=O)(=O)NCCC(=O)Nc2cccc(C#N)c2)c1C(=O)N1CCCCC1 32996436 KZSIMJCBHXUJOX-UHFFFAOYSA-N 457.556 2.436 30 10 JEEE CCOC(=O)C1CCN(C2=NC(O)=C3C(=NC(=O)[C@@H](C#N)[C@H]3c3c[nH]c4ccccc34)N2)CC1 72444737 OMUTXLUWEBEFIY-YJBOKZPZSA-N 460.494 2.334 30 10 JEEE COC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC1 603874538 FQLJKCJTIPUDRW-JOCHJYFZSA-N 489.981 2.185 30 10 JEEE C#CC[C@H](NC(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)OCC)C(=O)O 757312222 ZFIILTBVRGGMEV-SFTDATJTSA-N 464.474 2.050 30 10 JEEE C#C[C@H](NC(=O)c1ccc(S(=O)(=O)NC[C@H](C)O)cc1)c1ccc(Br)cc1 1159634702 QTFRIPRXBGTVMN-UGSOOPFHSA-N 451.342 2.213 30 10 JEEE C#CC[C@H](CCOC)NC(=O)NC[C@@H](N1CCN(C(=O)OC(C)(C)C)CC1)C(F)(F)F 1227136775 NYZJQPXARZGFKT-HZPDHXFCSA-N 450.502 2.198 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1CC1CC(F)(F)C1)[C@@H]1CCS(=O)(=O)C1 1286391033 FYWMQZSQBRMJEJ-MRXNPFEDSA-N 455.556 2.306 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CC1(CC)CCOCC1)[C@H]1CCS(=O)(=O)C1 1286394255 OIAVUAMSIBIDTB-RBUKOAKNSA-N 450.605 2.353 30 10 JEEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1c[nH]c2c(CC)cccc12 1286399967 SFWXNIBAXBAVDA-KRWDZBQOSA-N 452.584 2.248 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2ccncc2)n1CCN1CCN(Cc2ccccc2)CC1 1286410387 ADXFETBMTVNKLU-UHFFFAOYSA-N 453.594 2.155 30 10 JEEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1286422991 PDKWJDYVSRNHRR-UGKGYDQZSA-N 483.535 2.046 30 10 JEEE C#CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1Cc1ccc(S(C)(=O)=O)cc1 1286466643 LECJMBVWHYFJGR-UHFFFAOYSA-N 478.578 2.054 30 10 JEEE C=CCN(c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCS(C)(=O)=O)C1CC1 1286736986 IUYWGWYIWZFIQZ-UHFFFAOYSA-N 456.572 2.435 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N(C)CC(=O)NC(C)(C)C 1286783832 NEJXFXRCCODVAH-UHFFFAOYSA-N 493.406 2.369 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1c(C)noc1C 1286791409 SQXMZMZJCKXATL-GOSISDBHSA-N 489.577 2.130 30 10 JEEE CCOC(=O)Cn1ccc2cc(NC(=O)[C@H](C)NS(=O)(=O)c3cccc(C#N)c3)ccc21 1292334898 IBDKGUFGCNAOEX-HNNXBMFYSA-N 454.508 2.382 30 10 JEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1300338861 INJYWDISRACLPN-DLBZAZTESA-N 468.624 2.137 30 10 JEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1300339307 LTYRGJYOXLVXBC-MRXNPFEDSA-N 466.011 2.067 30 10 JEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCN1C[C@H](C)O[C@H](C)C1 1300466664 ZQCFPYFNUGGQBR-HSALFYBXSA-N 476.622 2.155 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CCSC1(C)C)[C@H]1CCS(=O)(=O)C1 1300482593 GUCNWMCLLBURSK-MSYCTHLASA-N 496.699 2.477 30 10 JEEE C#CCN(c1nnc(-c2ccccc2)n1CCCOC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1300490080 ZAIUNYAQISQXOZ-FQEVSTJZSA-N 458.584 2.158 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1ccnc(SC)c1)[C@H]1CCS(=O)(=O)C1 1300490677 BHTVOSUXRNHRHJ-SFHVURJKSA-N 468.608 2.440 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC(C)(C)COC)[C@H]1CCS(=O)(=O)C1 1300503140 ATEUISZDTGZQTR-IPMKNSEASA-N 466.648 2.496 30 10 JEEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2CCCCN2CCC[C@H]2CO)CC1 1300701322 OQCVZMMMSRDDOR-FQEVSTJZSA-N 472.584 2.139 30 10 JEEE C#CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1300762408 JIJDYDUGRLMUOB-JOCHJYFZSA-N 498.653 2.147 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCCO2)n1CCS(=O)(=O)N(C)C 1301339615 QZUDFLVTFDPDAZ-HXUWFJFHSA-N 458.588 2.475 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c(-c2noc3c2COCC3)nnc1N1CC(=O)N(C)[C@@H](C)C1)C(C)C 1301366625 GKTNHFZSMHPHKJ-AZUAARDMSA-N 483.617 2.371 30 10 JEEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1301459142 RTWBNOMVWGLRPX-GVDBMIGSSA-N 453.609 2.496 30 10 JEEE CN(C)CC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1314665439 CCTJAZJOZVSLPY-LJQANCHMSA-N 451.575 2.128 30 10 JEEE COCCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CCN(c2ccccc2F)C1 1316100825 APOXLDLKGRBUKD-PKOBYXMFSA-N 455.538 2.261 30 10 JEEE C#CCCCCn1c(-c2cnccn2)nnc1N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 1358910698 YBOCPZIIOIBLKB-LJQANCHMSA-N 457.604 2.369 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1358966995 BDKUPJYTSNOOGZ-YHDCXSKOSA-N 450.605 2.065 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(c2ccccc2C)CCOCC1 1358984703 DTDXRRZAQVWMDF-OAQYLSRUSA-N 483.638 2.408 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(Oc2ccccc2)nc1 1359010455 QEWOQVUXFNFZHJ-OAQYLSRUSA-N 496.593 2.306 30 10 JEEE C#CCN(CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@H]1CCCCS1(=O)=O 1359012616 SWVUEWUEELKIAE-HSZRJFAPSA-N 484.670 2.070 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCCS(=O)(=O)c2ccccc2)CC1 1359044401 FKCGIGMPFWFVMU-NRFANRHFSA-N 499.637 2.002 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1359101855 SSVUYVZNMGZRAL-WHLIWEHUSA-N 458.651 2.448 30 10 JEEE C=C(Cl)Cn1c(N2CCC(NS(C)(=O)=O)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1359156809 QLEQBSFYEGMXLR-FZNQNYSPSA-N 489.042 2.319 30 10 JEEE C=C(Cl)Cn1c(N2CCN(C(=O)COC)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1359157480 KJEJKNFIJFWWAV-IYBDPMFKSA-N 468.986 2.096 30 10 JEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2c(OC)cc(OC)cc2OC)CC1 1359158952 JAEFKHAEEFEBQF-MRXNPFEDSA-N 479.603 2.313 30 10 JEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)=C(Br)C1 1359216378 VNINCAVKLSYEHK-INIZCTEOSA-N 474.425 2.456 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H]1CCOC1 1359258953 IBQLIZYERHARBN-NHCUHLMSSA-N 475.615 2.230 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CCC[C@@H](NC(C)=O)C1 1359297377 OKCLAZJBQKDQQL-OAHLLOKOSA-N 461.364 2.115 30 10 JEEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1359301646 FURMMAVBOLFEON-KRWDZBQOSA-N 474.556 2.139 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCCN(c2ncccc2F)CC1 1359330162 JEDZQSLGEVQKMB-UHFFFAOYSA-N 473.578 2.135 30 10 JEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](O)(c2cccc(F)c2)C1 1359343045 LBQYGSRMODYMEM-HRAATJIYSA-N 466.604 2.336 30 10 JEEE CS(=O)(=O)CC[C@@H](Cc1cccc(Br)c1)C(=O)Nc1nc(C#N)c(C#N)[nH]1 1452523591 FVAUZIREIVOYRC-LBPRGKRZSA-N 450.318 2.148 30 10 JEEE C#Cc1cccc(NC(=O)CNC(=O)CCCNS(=O)(=O)c2ccc3c(c2)CCCC3)c1 1464333521 MNNMVEXZVKAUME-UHFFFAOYSA-N 453.564 2.360 30 10 JEEE CS(=O)(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCn2cc(Cl)cn2)C1 1505142402 DHBGQYJQDLGPBW-QGZVFWFLSA-N 489.005 2.132 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCNC(=O)c1cccs1 1507518526 BJFRTADTNNNHRU-HNNXBMFYSA-N 485.639 2.496 30 10 JEEE C#CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](CC(N)=O)C1 1507567725 OGJMVUUICMKSKO-RTBURBONSA-N 474.606 2.482 30 10 JEEE C#CCN(c1nnc([C@@H](C)CC)n1CCc1nccc(C(F)(F)F)n1)[C@@H]1CCS(=O)(=O)C1 1507623881 YRYUONFQYHWDDU-LSDHHAIUSA-N 470.521 2.470 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CCc1ccc(NC(C)=O)cc1)[C@H]1CCS(=O)(=O)C1 1507634791 MWOAEPUVIYKAAS-QHCPKHFHSA-N 492.605 2.092 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(N2CCOCC2)c(F)c1 1507658519 CRWRVCBKJHNNDB-REWPJTCUSA-N 467.545 2.099 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCN(C)[C@@H]1c1cccs1 1507660199 OCSZWROGGRGEBA-ZJOUEHCJSA-N 488.683 2.496 30 10 JEEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1507669225 JVFFQLXBLLQLFW-DHIUTWEWSA-N 490.656 2.414 30 10 JEEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](c1ccc(C)cc1)N1CCCC1 1507678702 BNBYHMIJNVLXQW-PZJWPPBQSA-N 458.632 2.493 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@](C)(O)c2cc(C)oc2C)CC1 1507721111 YOWNTESWCHVIAF-LOSJGSFVSA-N 471.602 2.191 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCCN2CCN(CC)CC2)CC1 1507903989 WCSYLSBCHBPFGG-NRFANRHFSA-N 464.680 2.000 30 10 JEEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(Cc2ccc(OC)cc2)C(=O)C1 1507954602 OIXQKVGQLZFZDU-HXUWFJFHSA-N 487.626 2.394 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1508079532 YFSBBGLSAUDVON-MJGOQNOKSA-N 471.514 2.159 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC(=O)N2CCOCC2)C1 1508128714 OOUUJCZZVYCROP-LJQANCHMSA-N 461.950 2.151 30 10 JEEE C[C@@H]1CCCCN1C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)O)CC1 1512145757 DXCMZUJGQIWKMC-LJQANCHMSA-N 465.602 2.111 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2CC2(C(N)=O)CCCC2)c1 1539046623 WZKMSESVGZRCBK-UHFFFAOYSA-N 471.565 2.366 30 10 JEEE C#CCCCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1539124447 OYAIJASVUZRYRX-SFHVURJKSA-N 493.580 2.191 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1Cc1ccc(C)nc1)[C@@H]1CCS(=O)(=O)C1 1539225890 RXPAXJBRPHTIDQ-OAQYLSRUSA-N 465.579 2.256 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2c(F)cccc2Cl)CC1 1539467751 YTPRASIMJZGGKY-UHFFFAOYSA-N 460.941 2.223 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](OCC2CC2)C1 1539599507 GROROVSEUWPYEQ-CVEARBPZSA-N 459.410 2.484 30 10 JEEE N#Cc1ccc(N2C[C@H](C(=O)N(Cc3ccccc3F)[C@@H]3CCS(=O)(=O)C3)CC2=O)cc1 1540022486 DKBJAWIUSGKBBX-UYAOXDASSA-N 455.511 2.266 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC(=O)N(C)C2CCCCC2)C1 1540882379 HNZMGAUQCVQKBO-LJQANCHMSA-N 467.574 2.498 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)CC1(c2ccccc2)CC1 1540896583 OQGXGDCCGZRBEN-UHFFFAOYSA-N 457.600 2.283 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2OC)nnc1N1CC[C@]2(CCOC2)C1 1540908735 MPKABTWLNOYHFV-QFIPXVFZSA-N 462.572 2.083 30 10 JEEE CCc1nn(C)c(OC)c1Cn1c(COc2ccc(C)cc2)nnc1N1CCO[C@@H](C#N)C1 1546398057 CKJJTKHEPXRBKD-SFHVURJKSA-N 451.531 2.247 30 10 JEEE CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1Cc1nccc(C(F)F)n1 1548170603 AKZUUJAGRXVXSY-UHFFFAOYSA-N 455.473 2.184 30 10 JEEE C#CCNC(=O)CN1CCN(C(=O)c2csc(-c3ccc(Br)s3)n2)CC1 1556504090 JZUSOUIBCKRPAS-UHFFFAOYSA-N 453.387 2.141 30 10 JEEE C#CCCCS(=O)(=O)N1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CC1 1561125662 TYSOBNKFGABMRQ-UHFFFAOYSA-N 458.911 2.408 30 10 JEEE C#CCN(C(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1)[C@@H]1CCS(=O)(=O)C1 1563740743 YNUQDFGHOZAXQE-CRAIPNDOSA-N 454.390 2.107 30 10 JEEE Cc1cc(C)nc(-n2[nH]c(C(=O)N3CCN([C@H](C#N)c4cccc(Cl)c4)CC3)cc2=O)n1 1568490163 GHSXPIBDLUKIQO-LJQANCHMSA-N 451.918 2.249 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1Cc1ccc(OC)c(O)c1)[C@H]1CCS(=O)(=O)C1 1588065184 VRGBHIBECPRVHZ-SFHVURJKSA-N 487.607 2.023 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1Cc1csc(COC)n1)[C@H]1CCS(=O)(=O)C1 1588069367 MJNQNNBECPJKDC-FQEVSTJZSA-N 485.635 2.341 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1588074086 ILBCHXFKUGQLSR-KZNAEPCWSA-N 481.619 2.012 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCS(=O)(=O)CC=C 1588170806 NVDYCMCOIBKPKC-SFHVURJKSA-N 461.588 2.024 30 10 JEEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1CCN(Cc2ccccc2)CC1 1588266952 YDCFICMTKVVASE-LJQANCHMSA-N 458.632 2.260 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2ccc(CS(C)(=O)=O)cc2)CC1 1588929940 JGXFZUGBZITISS-QFIPXVFZSA-N 499.637 2.078 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCn1cnnn1 1589208237 YPWMFYLBKFQXBX-WZONZLPQSA-N 469.594 2.462 30 10 JEEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](CN(CC)CC(F)(F)F)C1 1589708188 GDSKOZDKPVYXHT-LSDHHAIUSA-N 452.547 2.175 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1595556476 USULQPOBBQEWJQ-KRWDZBQOSA-N 458.538 2.414 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1595649024 LBOICHPMYCPOJF-FQEVSTJZSA-N 481.601 2.366 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CCN2CCCC[C@@H]2C1 1595824214 YSXCHXUOPRYSMA-HXUWFJFHSA-N 459.616 2.441 30 10 JEEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1615094756 DNZLNDYSNWOUHD-UHFFFAOYSA-N 459.558 2.029 30 10 JEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C[C@@H]2CCCc3ccccc32)C(=O)OC)c1 1638154827 AZVLHJXTMLPOHP-PGRDOPGGSA-N 454.548 2.380 30 10 JEEE N#Cc1ccc(CN2CC[C@H](NC(=O)[C@H]3CC(=O)N(Cc4ccccc4Cl)C3)C2=O)cc1 1639973488 BRYGKRRHOICXNL-FPOVZHCZSA-N 450.926 2.477 30 10 JEEE C=CCN(C(=O)Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1)[C@@H]1CCS(=O)(=O)C1 1672770365 PMUZVJMDVKMMPR-GOSISDBHSA-N 455.602 2.314 30 10 JEEE C=CCS(=O)(=O)CCNC(=O)N[C@@H](c1ccc(C)cc1)c1cccc(S(C)(=O)=O)c1 1678246348 FTZUYXSBZHKZQR-FQEVSTJZSA-N 450.582 2.388 30 10 JEEE C=CCS(=O)(=O)CCNC(=O)N1CCC([C@H]2C[C@@H](NC(=O)OC(C)(C)C)CCO2)CC1 1685844303 OHDVPORRUNOQLO-ZWKOTPCHSA-N 459.609 2.081 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H]1CCCN1CC)[C@@H]1CCS(=O)(=O)C1 1689981888 CYFBMJRGQBMSAP-WOJBJXKFSA-N 487.626 2.073 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1CCc1nccs1)[C@@H]1CCS(=O)(=O)C1 1689997206 XQTIRJZOCWLWHL-MRXNPFEDSA-N 475.571 2.322 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1Cc1nnc(C)s1 1690013465 PRSBDQBUMYLRKL-UHFFFAOYSA-N 458.551 2.346 30 10 JEEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1690227719 FXYHYNCKOFHNJC-CVEARBPZSA-N 476.441 2.189 30 10 JEEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1690515216 ICPDPUVMCSVZNO-HZPDHXFCSA-N 456.613 2.158 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN(c2c(F)cccc2OC)CC1 1690727162 VXXYCVGFANNBED-UHFFFAOYSA-N 463.579 2.306 30 10 JEEE CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H]1CCN(CCc2ccccc2)C1 1692521579 FJIIFXOEERYGSR-RDPSFJRHSA-N 453.566 2.423 30 10 JEEE CCCN(CC)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1695314374 GCHFBMMWBFYCSD-RTWAWAEBSA-N 451.575 2.411 30 10 JEEE CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1695442441 BFISEJQIXGSGOO-INIZCTEOSA-N 479.507 2.328 30 10 JEEE CO[C@H]1COCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CCC(N)=O)CC1 1697702259 CUIWQWDRMIOSNS-UNMCSNQZSA-N 482.585 2.262 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CC[C@@H](F)C2)c1 1705503699 BYUKJKOOXRAQMH-CGTJXYLNSA-N 476.578 2.083 30 10 JEEE C#CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1705529196 HHKMAMYICFQWRI-FQEVSTJZSA-N 453.543 2.203 30 10 JEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCc1ccc(Cl)s1)[C@H]1CCS(=O)(=O)C1 1705558623 CXOLXPXATJREJN-HNNXBMFYSA-N 482.031 2.098 30 10 JEEE C#CCN(c1nnc(C2CCC2)n1CCCOCC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1705565366 IBZSUEXQHZAOKG-HXUWFJFHSA-N 450.605 2.006 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CCN(C)C1CCCC1)[C@@H]1CCS(=O)(=O)C1 1705568591 QZOHTLCLIXGBQD-JOCHJYFZSA-N 496.637 2.230 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1Cc1cccc(O)c1)[C@H]1CCS(=O)(=O)C1 1705569248 FJPWWGCWTUYPDL-SFHVURJKSA-N 457.581 2.014 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(F)cc2Br)n1CC1(S(C)(=O)=O)CC1 1705577296 XMUVRQRYFSAOEY-UHFFFAOYSA-N 465.348 2.497 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1N(C)CCCC1(C)C 1705580326 IIDJCRLMAXKMHN-NRFANRHFSA-N 457.582 2.385 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCc2ccccc2C1 1705599172 VXRDFHSODJEPAR-QHCPKHFHSA-N 465.623 2.092 30 10 JEEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2Cc2ccnc(OC(F)F)c2)CC1 1705640989 MJLVYWDWSCNHIE-UHFFFAOYSA-N 459.526 2.434 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H]2CCSC2(C)C)CC1 1705645511 WBYMWNVQTPFJPA-YADARESESA-N 475.659 2.428 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@H]2CCOC[C@@H]2OC)CC1 1705651417 WHEXQVFEGVPCQT-UPVQGACJSA-N 495.624 2.491 30 10 JEEE C=C(C)COCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1705731438 XUTUPXBOGUFHPD-HSZRJFAPSA-N 498.628 2.298 30 10 JEEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N(C)Cc1ccc(F)c(F)c1 1705907140 BFGMPZVFKQGLEC-UHFFFAOYSA-N 460.510 2.486 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CC[C@@H](Oc2ccccn2)C1 1705908018 FNLDTOIQGUOADH-QGZVFWFLSA-N 452.490 2.351 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CC[C@H](c2ccc(OC)cc2)C1 1705928014 KXOWVMTTYJYNON-SFHVURJKSA-N 461.588 2.020 30 10 JEEE CC(C)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N(CCS(C)(=O)=O)C1CC1)N1CCOCC1 1706256742 FUSWPGXTKMKGIA-JOCHJYFZSA-N 486.642 2.187 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCCS(=O)(=O)Cc1ccccc1 1722283852 JTKAJIVSEWOXFR-SFHVURJKSA-N 466.567 2.388 30 10 JEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 1722316841 NEKCRHVGEZOYQQ-GOSISDBHSA-N 473.599 2.284 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1CC(C)(C)C(=O)NC)[C@@H]1CCS(=O)(=O)C1 1722364221 YCBRCNKPTJNUQZ-MRXNPFEDSA-N 494.017 2.006 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1722367054 LSNCLFJXJNVXPE-UXHICEINSA-N 450.605 2.006 30 10 JEEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1C[C@@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1722370959 GBQQDMDJXFJICE-CVDCTZTESA-N 460.600 2.262 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN(C)C(=O)OC(C)(C)C)CC1 1722441834 NKCLXVQNSXYVGS-UHFFFAOYSA-N 479.585 2.351 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N(C)CCN2C[C@H](C)O[C@H](C)C2)nnc1[C@@]1(OCC)CCOC1 1722501834 QHLPHUSHOGEICF-YLYPHGCXSA-N 477.650 2.457 30 10 JEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 1722527453 JRTVBXBTBXWEST-UHFFFAOYSA-N 466.586 2.130 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(=O)N2CCCC2)CC1 1722751794 VOIBQEXKGDSOSJ-UHFFFAOYSA-N 482.610 2.256 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1ccccc1OCC)[C@@H]1CCS(=O)(=O)C1 1740624999 NFIUXPVURGGBOE-OAQYLSRUSA-N 482.610 2.213 30 10 JEEE C#CCN(c1nnc(COc2ccccc2CC)n1C[C@H]1OCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1740627301 GGKIMLJHMWLQPB-SYYKKAFVSA-N 472.611 2.471 30 10 JEEE C#CCN(c1nnc(COc2ccccc2OC)n1C[C@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1740628087 NBQKQWXSKSRUMF-RBUKOAKNSA-N 474.583 2.062 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(Cc2c(F)cccc2F)n1C[C@H]1CCN(S(C)(=O)=O)C1 1740731492 CHEYJUZIXGQSEF-KSFYIVLOSA-N 463.554 2.421 30 10 JEEE C=C(Br)Cn1c(Cc2cccnc2)nnc1N1CCC(C(=O)NCCOC)CC1 1740745854 IDRJXIRKBAGYNW-UHFFFAOYSA-N 463.380 2.152 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1cnn(CCOC)c1 1740773359 XZGVHNVSXQXBGB-UHFFFAOYSA-N 462.558 2.486 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)CN2CCCC2)CC1 1740839012 DQYVHOFCBQCWIM-FQEVSTJZSA-N 480.679 2.135 30 10 JEEE Cc1cc(C)n(Cc2nnc(N3CC=C(c4ccc(C#N)cc4)CC3)n2CCS(=O)(=O)N(C)C)n1 1742694213 DZLVBWSUSLCZCQ-UHFFFAOYSA-N 494.625 2.197 30 10 JEEE C#CCCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1748702696 AXNZXDVXNQDUEM-FUHWJXTLSA-N 453.543 2.489 30 10 JEEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 1748730086 DPKCKDFCXOABAZ-UHFFFAOYSA-N 496.641 2.002 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2Cc2ccc(OC)nc2OC)CC1 1748998823 BDLGDYIBPDQHTN-UHFFFAOYSA-N 478.553 2.081 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@H]2CCC(=O)N2)CC1 1749006160 JNWFXOGVAOKOLV-GOSISDBHSA-N 499.413 2.260 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3noc4c3COCC4)n2CCCSCC)CC1 1749009005 KSFRMCYFCXMGDZ-UHFFFAOYSA-N 458.588 2.115 30 10 JEEE C=CCC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1749357017 GPSCFFWIQTUYPB-UHFFFAOYSA-N 477.613 2.400 30 10 JEEE C=CC[C@@H](Cn1c(C(C)C)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1)c1ccccc1 1749382657 OGVPDUQANHJHGJ-FQEVSTJZSA-N 478.601 2.228 30 10 JEEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(Cc2csc(C)n2)CC1 1749609495 RSZHRABYRGHMJZ-UHFFFAOYSA-N 487.655 2.469 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@H](c2ccco2)C1 1749660502 RIZHNCYSLPDSFB-FQEVSTJZSA-N 453.499 2.435 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1C 1749689830 KWSLARFGOVLJMX-XLIONFOSSA-N 461.588 2.213 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCn2cc(Br)cn2)C1 1749711797 CMPQNEJKZUTWQM-WBVHZDCISA-N 499.435 2.011 30 10 JEEE C#CCCCCn1c(-c2noc3c2COCC3)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1760135197 MHAQRMGUMJINSO-UHFFFAOYSA-N 476.603 2.060 30 10 JEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(O)(Cc2cccc(C)c2)CC1 1760154908 LTLLLZCSRQJPTA-NRFANRHFSA-N 456.612 2.476 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1760198263 CBAMUDUWBXZJQF-OALUTQOASA-N 473.002 2.271 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCSCC=C)CC1 1760261494 MXKSTPPGEBJXOW-IBGZPJMESA-N 476.647 2.261 30 10 JEEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@H]2NC(=O)CC2(C)C)CC1 1760262021 YEFOPFCZXZYFIS-OAQYLSRUSA-N 450.587 2.144 30 10 JEEE C#CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1CCCN(CCC)C(=O)C1 1760284044 GCLFRLWTFOIKGU-UHFFFAOYSA-N 451.600 2.332 30 10 JEEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](NC(=O)OCC)C1 1760287547 WUYAFQUGXKFKAO-BZSNNMDCSA-N 451.593 2.083 30 10 JEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCN(Cc2cccc(F)c2)CC1 1760525944 YAZBRRCUBNKMIC-UHFFFAOYSA-N 469.590 2.397 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC(C(=O)c2cccs2)CC1 1760553947 MTJZHCUCSKCUAZ-UHFFFAOYSA-N 472.596 2.497 30 10 JEEE CCN(CC)c1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@](C)(C#N)C2)cn1 1764929772 ACMPNIUFPUIFLP-JTSKRJEESA-N 474.635 2.308 30 10 JEEE CCS(=O)(=O)CCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)[C@@H](C)CC#N 1766686403 BYWZFMLKPKSATF-INIZCTEOSA-N 471.587 2.409 30 10 JEEE CCS(=O)(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1768201728 CPRMGRZVKHWPME-GOSISDBHSA-N 491.639 2.045 30 10 JEEE COc1ccccc1SCc1nnc(N2CC[C@](F)(C#N)C2)n1CC(=O)NCC(F)F 1770536614 DJQHYBINNZLYPU-IBGZPJMESA-N 454.478 2.402 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1772659887 PDNGLOGGUWSDMM-ZDUSSCGKSA-N 478.999 2.208 30 10 JEEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccc([N+](=O)[O-])cc1 1862609921 XZGGPDBNYNJXFW-HXUWFJFHSA-N 467.434 2.080 30 10 JEEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(C(=O)O)cc1 1862740345 QYBOUGWHQDCLNM-SFHVURJKSA-N 453.407 2.007 30 10 JEEE C=CCOc1ccccc1[C@@H]1C(C(=O)N2CC(O)C2)=C(N)Oc2c1c(C)nn2-c1ccccn1 1865225826 ZWGYVGFHUUUORT-NRFANRHFSA-N 459.506 2.038 30 10 JEEE COc1ccc(CC(=O)Nc2c(C#N)nnn2-c2ccc(N3CCN(C)CC3)cc2)cc1OC 1870147195 CQOMMSHPUWOEFT-UHFFFAOYSA-N 461.526 2.089 30 10 JEEE Cc1cccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCC(COc3nccnc3C#N)CC2)c1 1891997861 PHTNSEXKWGUWFR-NRFANRHFSA-N 469.567 2.127 30 10 JEEE C#CCOCCOCC[S@](=O)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 2019053809 RSFIJJPAMXLPLK-NHOCJEJCSA-N 485.558 2.393 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N1C[C@@H](O)CC12CN(C(=O)OC(C)(C)C)C2 2066536682 BHIODJWSEKDCNU-HOTGVXAUSA-N 452.552 2.156 30 10 JEEE C#CCN(CCOC)C(=O)c1cc(I)cc(I)c1O 2096656365 HZMVOJOXWWJLFL-UHFFFAOYSA-N 485.059 2.323 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2124537472 YQHXLECASIREJO-PBHICJAKSA-N 450.316 2.434 30 10 JEEE C#CCN(C(=O)[C@@H]1C[C@@H](O)CN(C(=O)OC(C)(C)C)C1)C1CCN(C(=O)OC(C)(C)C)CC1 2136212868 MQOLRFZWMLOCLV-IEBWSBKVSA-N 465.591 2.466 30 10 JEEE Cc1cc(Br)c(N)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N 2162920610 FVEOEYKALFOFDB-GFCCVEGCSA-N 459.366 2.473 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)NCCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2180987429 ONTTUGYHKUVGFT-OALUTQOASA-N 460.380 2.015 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@@]1(CO)C(=O)NCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2180992152 WWRQJIDKXMACBS-XMMPIXPASA-N 460.380 2.364 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)NCCc2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2183290069 XZKQEGVUHHHXCU-XMMPIXPASA-N 460.380 2.016 30 10 JEEE C=C[C@]1(CO)COCCN1C(=O)c1ccc(I)c(Br)c1 2199871498 YZWJZSGOBQLZFI-AWEZNQCLSA-N 452.086 2.443 30 10 JEEE Cc1sc(CNC(=O)[C@@H](O)CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1C 2256623667 GMWPAESXINESLJ-AWEZNQCLSA-N 454.398 2.166 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1COC[C@@]1(C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2256629468 VHEFUEFHGBBWRZ-FKIZINRSSA-N 453.370 2.311 30 10 JEEE CN(Cc1csc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C 2256678385 DABZGHPGTXCBIZ-OAHLLOKOSA-N 454.398 2.281 30 10 JEEE CCc1nn(C)c(C(=O)NCCCCNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267136610 LQKKUSFKHULKED-UHFFFAOYSA-N 450.389 2.316 30 10 JEEE CO[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)N(C(=O)c2occc2B2OC(C)(C)C(C)(C)O2)C1 2267183610 HACXTCCLCSAZPN-GJZGRUSLSA-N 450.341 2.333 30 10 JEEE CCn1cc(C(=O)N2C[C@H]3C[C@H]2[C@@H]3NC(=O)OCc2ccccc2)nc1B1OC(C)(C)C(C)(C)O1 2267491974 LZKGGGKZZJPTDZ-YZGWKJHDSA-N 480.374 2.342 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C12CCC2 2268709923 FPHFMAOKIJXOQI-ZDUSSCGKSA-N 464.397 2.377 30 10 JEEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@H](COCc3ccccc3)CC(=O)O)s2)OC1(C)C 2269037858 LTKSISVMTROKGU-INIZCTEOSA-N 481.401 2.386 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(C1CC1)C1CN(C(=O)OC(C)(C)C)C1 2282003682 DQNXJAKUACKNMQ-UHFFFAOYSA-N 460.384 2.252 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCOC[C@H]1OCc1ccccc1 2282057933 NETJMOXJQUZVNJ-RTBURBONSA-N 455.364 2.132 30 10 JEEE Cn1nc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)CC2(C)C)cc1B1OC(C)(C)C(C)(C)O1 2282067791 UGWHLYPOCBTTJD-MRXNPFEDSA-N 462.400 2.485 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](CNC(=O)c3ncncc3B3OC(C)(C)C(C)(C)O3)C[C@H]21 2282180128 QJLZQXDCRSCQQB-ZMSDIMECSA-N 458.368 2.151 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@@]1(O)CCCN(Cc2ccccc2)C1 2282184564 VDSHCTPMLBXCIJ-VWLOTQADSA-N 453.392 2.081 30 10 JEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CC[C@H](CO)[C@H](NC(=O)OC(C)(C)C)C1 2282549532 MCBMVNRQPPPQCB-NVXWUHKLSA-N 464.368 2.235 30 10 JEEE Cc1ccnc(C(=O)N[C@@H]2COCCN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2282565825 PLZQZYOOUNSCMB-INIZCTEOSA-N 461.368 2.055 30 10 JEEE Cn1nc(C(=O)NC[C@]2(F)C[C@H](CNC(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2282612722 VQWVMZKLTAWWET-CAJLXGCNSA-N 466.363 2.092 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2COC[C@@]2(C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2284020447 MBOVRDHVTKNNKM-CMJOXMDJSA-N 459.352 2.203 30 10 JEEE CN(CCNC(=O)OC(C)(C)C)CC(=O)N1CCc2sc(B3OC(C)(C)C(C)(C)O3)cc2C1 2284050206 YARVKOVSRVPWQH-UHFFFAOYSA-N 479.452 2.389 30 10 JEEE Cc1nc(NC(=O)[C@@]2(C)COCCN2C(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2284128108 BVZOXHNLTXFYDT-JOCHJYFZSA-N 462.356 2.049 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N[C@H](C(=O)O)[C@@H](C)OCc1ccccc1 2285192274 MMPXFLZCDKTLNG-UZLBHIALSA-N 454.332 2.478 30 10 JEEE COCCN(CCNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1C)C(=O)OC(C)(C)C 2285195982 DROOPNNPVCEYGX-UHFFFAOYSA-N 463.384 2.303 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H]1CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(O)cc1O 2287593998 JGEUSZZTZHWYCO-CJNGLKHVSA-N 462.352 2.430 30 10 JEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CCOC2(CN(C(=O)OC(C)(C)C)C2)C1 2288569689 BRXQDAQICSDBTJ-UHFFFAOYSA-N 462.352 2.349 30 10 JEEE COc1ccccc1[C@H]1C(=C(O)c2c(C)n[nH]c2C)C(=O)C(=O)N1CCCN1CCOCC1 2296612493 OPLXBRUCQITKMS-NRFANRHFSA-N 454.527 2.179 30 10 JEEE COc1ccc(Cc2nnc(SCC(N)=O)n2N=Cc2ccc3c(c2)OCCO3)cc1OC 2326736263 FJDYUGQSWAYYIB-UHFFFAOYSA-N 469.523 2.117 30 10 JEEE CCCNC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1N=Cc1ccccc1[N+](=O)[O-] 2329012013 NTCRRPUYQFZISC-MRXNPFEDSA-N 473.559 2.411 30 10 JEEE COC(=O)CSc1nnc(C(C)C)n1N=Cc1ccc(OCCN2CCOCC2)c(OC)c1 2331704548 AMBILOGTZLCDGQ-UHFFFAOYSA-N 477.587 2.268 30 10 JEEE COC[C@@]1(NC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)CCN(C(=O)OC(C)(C)C)C1 2337341132 OIQWVYVDNFKYNT-OAQYLSRUSA-N 467.397 2.198 30 10 JEEE CN(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C)[C@H](CNC(=O)OC(C)(C)C)C(F)(F)F 2362464484 IIWNTKJSKRNVLP-GFCCVEGCSA-N 476.305 2.247 30 10 JEEE COCCCn1c(=O)/c(=C/c2ccccc2OC(F)F)s/c1=C(/C#N)C(=O)NCc1ccccc1 105754137 OKHKSEHEGJIMOM-ZJTSRVKDSA-N 499.539 2.367 30 10 JEEE Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)cc1 107266286 RZRISSIYDYCLML-HSZRJFAPSA-N 452.580 2.364 30 10 JEEE C#CCN1C(=O)[C@@H]2[C@H](c3ccccc3OC)N[C@@](Cc3c[nH]c4ccccc34)(C(=O)O)[C@@H]2C1=O 248243416 KGEHJLKNKNGBII-OYSWMMLKSA-N 457.486 2.121 30 10 JEEE Cc1csc(-c2ccc(NC(=O)C(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)cc2)n1 523924487 NSHMUJLTLMPAML-UHFFFAOYSA-N 495.586 2.462 30 10 JEEE C#CCN1CCC[C@@H]1COC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 729810113 UKVXOECQIPPOCW-SJLPKXTDSA-N 455.374 2.243 30 10 JEEE CCn1cc([C@@H]2C[S@](=O)CCN2C(=O)COc2ccc(C#N)c(Br)c2)cn1 1156440410 HEGJYSJVNHCGEQ-CBZJRKILSA-N 451.346 2.248 30 10 JEEE C=C[C@H](C)ONC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1CCC 1164413828 IQXYZQIEEBMCHP-INIZCTEOSA-N 450.561 2.022 30 10 JEEE C#CCC1(O)CCN(C(=O)[C@@H](CCS(C)(=O)=O)Cc2cccc(Br)c2)CC1 1175854801 XPAHUNFJUNOPEN-KRWDZBQOSA-N 456.402 2.419 30 10 JEEE C=CCS(=O)(=O)CCNS(=O)(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(F)cc1 1188507588 LNEJEBLKXLPAGF-FCHUYYIVSA-N 466.600 2.314 30 10 JEEE COc1cc(C#N)ccc1C(=O)N1CC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc21 1264237291 AUBBHDXDIQZYRB-UHFFFAOYSA-N 454.508 2.340 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CCCC3)n2CCNC(=O)c2cc[nH]n2)c1 1286311624 KTTVPQRDCRPISB-UHFFFAOYSA-N 474.569 2.220 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1CCOC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1286388377 OCEQMDPNCQGYKT-SFHVURJKSA-N 474.583 2.158 30 10 JEEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1C[C@H](C1CC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1286392826 CLCODYJYOZBMBW-FYYLOGMGSA-N 485.654 2.441 30 10 JEEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1C[C@@H]1CCCS1)[C@@H]1CCS(=O)(=O)C1 1286394584 JOCYRJKRZIEBRF-XLIONFOSSA-N 476.624 2.388 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCOC(C)C)[C@H]1CCS(=O)(=O)C1 1286398191 HLABHKWTHGHUKR-IPMKNSEASA-N 452.621 2.248 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(Br)cc2)n1CCOCCS(C)(=O)=O 1286422041 ULHOPLFLYPOUHV-UHFFFAOYSA-N 479.400 2.232 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1CCCN1CCCO[C@@H](C)C1 1286463963 PALMGWQTKQDSIN-IBGZPJMESA-N 455.559 2.261 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CC(=O)NCC(F)F)CC1 1286475316 WSXSWCBOGGZYSZ-UHFFFAOYSA-N 481.345 2.153 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCC(=O)N(C)C)CC1 1286495540 YSLXFIJIJSTRNV-TZIWHRDSSA-N 472.634 2.031 30 10 JEEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1286536663 RHEFABUWQQDZKT-GOSISDBHSA-N 499.454 2.045 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1286550220 ZWNGKGZTSXOHCX-BBWFWOEESA-N 458.529 2.470 30 10 JEEE C=CC1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCOCCCO)CC1 1286663527 NHIDBNOHDSIPGR-LJQANCHMSA-N 465.595 2.388 30 10 JEEE C=CCCCCn1c(CSc2ccccc2OC)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1286691532 JQJBOGQPYKEWBT-KRWDZBQOSA-N 470.599 2.082 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1286783517 UBWIIRXTQDVDNL-UHFFFAOYSA-N 492.367 2.075 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCO[C@@H](c2nnc(C(C)C)o2)C1 1286784567 MACHNNYACREHHD-QGZVFWFLSA-N 455.494 2.471 30 10 JEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1C[C@H](c2ccccc2)C[C@@H]1C 1286824494 ZSDHNTFUWVVGFT-AZUAARDMSA-N 457.600 2.384 30 10 JEEE CC(C)C(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(N2CCCC2=O)CC1 1287137737 DTEKAPOHDBGYGF-UHFFFAOYSA-N 479.585 2.092 30 10 JEEE CCCC(=O)N[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCOC[C@@H]2C)C1 1293758666 ARIWRDITBDVODD-RBBKRZOGSA-N 495.628 2.335 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1cnccc1OC 1300285214 YMRYWHUYZVHEPH-MRXNPFEDSA-N 454.556 2.105 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC1(C(N)=O)CCCC1 1300317175 LLPOBBDKEBPPFC-OAQYLSRUSA-N 463.630 2.146 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1(S(C)(=O)=O)CC1 1300328058 HPTSPZQPCNLJHA-OAGGEKHMSA-N 451.593 2.084 30 10 JEEE C#CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC1(S(C)(=O)=O)CCC1 1300460057 ZTRGBUGAVRXBMY-UHFFFAOYSA-N 465.620 2.429 30 10 JEEE C#CCN(c1nnc([C@@H](C)OCCOC)n1Cc1csc(C)c1)[C@@H]1CCS(=O)(=O)C1 1300485137 UMOHACRSLJXUEW-SJLPKXTDSA-N 452.602 2.047 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1CC1CCC(F)(F)CC1)[C@H]1CCS(=O)(=O)C1 1300490688 BQZYIWVKILURMO-INIZCTEOSA-N 450.515 2.187 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@@H](C)N(C)C1CC1)[C@@H]1CCS(=O)(=O)C1 1300497646 BOYTZSBKEZUQNW-SJLPKXTDSA-N 477.581 2.257 30 10 JEEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CCCN1C[C@H](C)O[C@@H](C)C1 1300559132 JUZFCTDORSRUBR-HWBMXIPRSA-N 457.619 2.281 30 10 JEEE C=CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1CCN1CCN(C(C)=O)CC1)C1CC1 1301316424 KMHVXUUWBNOLDH-UHFFFAOYSA-N 454.575 2.281 30 10 JEEE COCCN(CCC#N)c1nnc(-c2ccc3c(c2)OCCO3)n1CCN1CCN(C)C(C)(C)C1 1301805128 FSYWURILCRTKKO-UHFFFAOYSA-N 483.617 2.109 30 10 JEEE C#CCCCn1c(N2CCC[C@H](n3ccc(C(=O)NC)n3)C2)nnc1[C@]1(OC(C)C)CCOC1 1358936865 ZVLSFAWIHFWQQU-CYFREDJKSA-N 469.590 2.130 30 10 JEEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCN(C)[C@H]1c1cccs1 1358939552 YUOWTOWXFQASFJ-LZLYRXPVSA-N 450.634 2.102 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1Cc1csc(COC)n1)[C@H]1CCS(=O)(=O)C1 1358959524 KUSXYZBPYVAYDE-KRWDZBQOSA-N 487.607 2.232 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CCc1ccncc1)[C@@H]1CCS(=O)(=O)C1 1358964986 LMIQLCRZTQHFSU-GOSISDBHSA-N 471.533 2.412 30 10 JEEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)CC1CCOCC1 1359051000 JMTKIGPGKCRFAL-UHFFFAOYSA-N 477.656 2.425 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOC1CCCCCC1 1359070978 ZGGWSOKDQUHBJG-NZQKXSOJSA-N 479.647 2.343 30 10 JEEE C=C(C)COCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1359126747 YEYBWVLAKJGXER-IBGZPJMESA-N 461.588 2.363 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c(C)nnc1N1CCN(c2cncc3nc(C)nn23)CC1)C(C)C 1359265089 XWKWZLOBLXGNMJ-NRFANRHFSA-N 464.622 2.358 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(Cl)cccc1OC 1359272193 NGXJZWQDKTUEOL-IBGZPJMESA-N 482.006 2.500 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cc(C)nc4ccccc34)n2CCS(=O)(=O)N(C)C)C1 1359313131 HJXKKDINQRCKNV-SFHVURJKSA-N 470.599 2.474 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCSC(C)(C)C1 1359334033 RCEIMPPENBOMRK-UHFFFAOYSA-N 460.629 2.449 30 10 JEEE C=CCS(=O)(=O)CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCN2CCOC[C@@H]2C1 1359335293 HJKOFUZKXXULBX-SFHVURJKSA-N 498.074 2.345 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1CC1(N(C)C)CCC1 1360665496 GZLXKSSOCZBOOY-QGZVFWFLSA-N 471.631 2.413 30 10 JEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 1446343605 UZDZWFZIOQMXRP-HBMCJLEFSA-N 454.571 2.008 30 10 JEEE C#CCN1CCC[C@@H](NC(=O)c2ccc(Br)c(S(=O)(=O)NC(C)(C)C)c2)C1 1455702326 GRYPVDUOVPCNDH-OAHLLOKOSA-N 456.406 2.353 30 10 JEEE C#CCN(C)c1nnc(-c2ccc(F)cc2Br)n1CC1(C(N)=O)CCOCC1 1507610054 HKTLBLUUROWZQG-UHFFFAOYSA-N 450.312 2.198 30 10 JEEE C#CCN(c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCCNC(C)=O)[C@H]1CCS(=O)(=O)C1 1507625777 AVBPYCCAZXBRBO-LPHOPBHVSA-N 489.667 2.284 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1cccc(OCC(C)C)c1)[C@@H]1CCS(=O)(=O)C1 1507630569 CHTHNBGLYYULOU-OAQYLSRUSA-N 482.610 2.388 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cnccc1OC 1507654298 YPCKURHSQQAMMH-IBGZPJMESA-N 466.542 2.111 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(-n2cccn2)cc1 1507668829 DECQXNAQLHSZAT-OAQYLSRUSA-N 462.579 2.072 30 10 JEEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2CC2(N(C)C)CCOCC2)CC1 1507727924 VMKHGPZXQRKFSO-UHFFFAOYSA-N 452.603 2.032 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2ccc(OC)c(OC)c2OC)CC1 1507731485 JTYCAHJTEPBGSO-FQEVSTJZSA-N 455.559 2.349 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(C)(C)c2cccs2)CC1 1507738830 ZXIMXUDXGBXKEH-QGZVFWFLSA-N 454.600 2.234 30 10 JEEE C=C(C)COCCn1c(-c2ccc[nH]2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1507842528 IVGLCHIFYTVNEV-UGKGYDQZSA-N 455.607 2.245 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(N(C)C)cc1C 1508019341 KXBYXNMXBCGVEF-NRFANRHFSA-N 474.631 2.212 30 10 JEEE C=CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1508150719 OYNNZYYRGFOTKN-ZDUSSCGKSA-N 489.465 2.425 30 10 JEEE CC(C)[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@H](C#N)C1)N1CCOCC1 1508886096 GDLBIIPREZZKKY-MXEMCNAFSA-N 460.623 2.282 30 10 JEEE N#C[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccccc2Br)CCO1 1521120876 BTEMVBCTKYBGKS-HNNXBMFYSA-N 468.315 2.465 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(COCC(F)(F)F)c1 1538971695 HTKPCMKSTYILIV-LSDHHAIUSA-N 473.521 2.473 30 10 JEEE C#CCCCn1c(N2CCN(CC(=O)Nc3ccccc3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1539139952 JZPFREDLMCHFNE-AREMUKBSSA-N 480.613 2.493 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1CCC(=O)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 1539230689 OYRIAGSIGCSTGW-NRFANRHFSA-N 499.637 2.195 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H](C(C)C)N1CCOCC1 1539252003 VUORVEULXNBTEG-NRFANRHFSA-N 451.571 2.392 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccc(CN3CCCC3=O)cc2)CC1 1539428231 NYPKRVWXOHTSES-UHFFFAOYSA-N 491.640 2.122 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CSc3ccccc32)CC1 1539466785 HBMJWSCDCBHJKE-GOSISDBHSA-N 466.611 2.272 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CC2([S@](C)=O)CCC2)CC1 1539483095 RTJYGNXMIPIQTB-XIFFEERXSA-N 471.602 2.275 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@H]2CCCOC2)CC1 1539489872 YOHDXFJHYWOYJO-LJQANCHMSA-N 467.570 2.258 30 10 JEEE N#Cc1nc(C2CC2)oc1N1CCN(C(=O)Cc2ccc(S(=O)(=O)C(F)F)cc2)CC1 1539590243 CVRRXONDVXKESJ-UHFFFAOYSA-N 450.467 2.311 30 10 JEEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1540907550 AGXRBPOLKJWKMP-UHFFFAOYSA-N 475.582 2.438 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(Cl)cc2)nnc1N1CCC(CO)CC1 1540908290 FELCDFXRUCCBAJ-UHFFFAOYSA-N 454.980 2.320 30 10 JEEE CC(C)(C)OC(=O)NCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@H](C#N)C1 1541218036 FTGNJNHGQBEVNF-QGZVFWFLSA-N 489.964 2.115 30 10 JEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1 1586242280 OMEWEUHUJQRXGN-ZDUSSCGKSA-N 459.943 2.403 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H]2COCCO2)n1 1588724285 WVQDBGAWEUWEIM-YPAWHYETSA-N 486.617 2.095 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CCNC(=O)c2cccc(OC)c2)CC1 1588899347 ONGSNAZOQRTRHF-UHFFFAOYSA-N 490.564 2.251 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2C[C@@H](C)N2CCN(CC)CC2)CC1 1588913244 DJISALDYSBWUCT-HXUWFJFHSA-N 481.620 2.076 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2C[C@@H](C)CN2CCOCC2)CC1 1588947792 XACQKRFPUXTKRP-NRFANRHFSA-N 478.641 2.111 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCCN(CC(F)(F)F)CC1 1588976390 WPLRTGYHDJWLJP-UHFFFAOYSA-N 467.521 2.366 30 10 JEEE C#CCSCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1588994619 YLMPOYBQQYAAHL-HSZRJFAPSA-N 471.583 2.054 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc(C)c2)CC1 1589068706 CZPFOEWLLVZQPN-IBGZPJMESA-N 459.641 2.182 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1594497190 BWMVEDDSSPCFLQ-MOPGFXCFSA-N 496.678 2.098 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCS(C)(=O)=O 1595219161 QWLLPRZOOINAAW-QGZVFWFLSA-N 469.608 2.200 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCN(CC(=O)Nc2cccc(C)c2C)CC1 1595476995 PUQFWRWYNGHWJK-GOSISDBHSA-N 467.618 2.471 30 10 JEEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC(C)(C)CC1 1595490774 ZVSCQPPSEONRRT-UHFFFAOYSA-N 459.620 2.475 30 10 JEEE Cc1cc(Cn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N(C)[C@H](C)CC#N)n(C)n1 1612466844 CRHKRCXCPWEGJB-MRXNPFEDSA-N 456.576 2.024 30 10 JEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(OC)nc1N1CCN(C(C)=O)CC1 1631716771 NACRARCNLNPIIL-GOSISDBHSA-N 459.547 2.004 30 10 JEEE C#CCN1CCC[C@H](NC(=O)c2cc(S(=O)(=O)NC(C)(C)C)ccc2Br)C1 1651801813 KBYILFVRWSYEBD-AWEZNQCLSA-N 456.406 2.353 30 10 JEEE COC(=O)c1cc(S(=O)(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)c(Br)o1 1654835882 GGIRWBZXLCEANF-AWEZNQCLSA-N 455.286 2.463 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](CC)Oc1ccccc1F 1689853237 QIRCHIRPVKMJGS-ABSDTBQOSA-N 479.578 2.066 30 10 JEEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)Cc2ccccc2C)CC1 1689873634 QLDKCYSVUONTPE-UHFFFAOYSA-N 450.587 2.420 30 10 JEEE C#CCCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCN(CC#C)CC1 1689900324 DQIGVUIHZFQLNW-UHFFFAOYSA-N 459.642 2.202 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1689986211 KYMXMNXYCXTXFO-QZTJIDSGSA-N 490.630 2.166 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 1689988765 VYTCFYOLWGMMRL-IBGZPJMESA-N 451.552 2.332 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc2c1OCCCO2 1690092231 AQALQRNJIACAKX-UHFFFAOYSA-N 462.510 2.221 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(OCC(F)(F)F)cc1 1690102572 PBFKAJLGWCXGRR-KRWDZBQOSA-N 451.449 2.305 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2(CCOC)CCCC2)CC1 1690136800 JZPMLCCHPVQRCK-UHFFFAOYSA-N 493.612 2.488 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1690248275 MDDVDYCTURVSAG-UWJYYQICSA-N 463.579 2.472 30 10 JEEE C=CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@@]1(O)CCS(=O)(=O)C1 1690533524 LUSIOROJKGXDLD-SFHVURJKSA-N 461.371 2.336 30 10 JEEE C=CCN(CC=C)c1nnc(-c2ccc(Br)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1690586818 USAZAWSXZGYFDO-LJQANCHMSA-N 467.389 2.436 30 10 JEEE C=CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1690642576 WPMKICWHPBUTFI-QZTJIDSGSA-N 487.605 2.345 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2(N(C)C)CCOCC2)C1 1690690475 ZNGBJGVBXYAPSG-HXUWFJFHSA-N 489.642 2.241 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1690717381 DOYOEHZLTJPPFR-LJQANCHMSA-N 497.625 2.431 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCCN(C(=O)C2CC2)CC1 1690717456 GRGGMIHWOKOSBA-UHFFFAOYSA-N 473.599 2.003 30 10 JEEE CC[C@@]1(C)CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC(=O)N(CCOC)C2)CCO1 1694454303 ACXKKELOVWIBOL-DVECYGJZSA-N 452.559 2.317 30 10 JEEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 1705522378 DBGQYGQAUMRWDA-UHFFFAOYSA-N 454.962 2.430 30 10 JEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CCC1(O)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1705562190 YNJBHZVQRXVJSO-LJQANCHMSA-N 479.002 2.157 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(OCC)c(OC)c2)CC1 1705643684 OSMWWPNXMNRCAW-REWPJTCUSA-N 469.586 2.213 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@]2(O)CCSC2)CC1 1705645000 IGZHOOZVTQYJFG-BXKMTCNYSA-N 487.601 2.391 30 10 JEEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(S(=O)(=O)CC)CC1 1705663938 HIFQJBWTVDBHDE-UHFFFAOYSA-N 473.624 2.499 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(OC)CCCCC1 1705717909 VEIMIACZSBTCCN-GOSISDBHSA-N 455.625 2.363 30 10 JEEE C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(=O)CCC)CC1)c1ccccc1 1705741056 FEMFHJORBDCWEG-SFHVURJKSA-N 474.631 2.487 30 10 JEEE C=CC1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCCNS(=O)(=O)CC)CC1 1705780033 CDQCVWNLTUNSCZ-UHFFFAOYSA-N 471.587 2.326 30 10 JEEE C=CC[C@H](Cn1c(N2CCN(C(=O)Cn3cnnn3)CC2)nnc1C(C)(C)C)c1ccccc1 1705798166 LTPCRGBNYCCYHY-HXUWFJFHSA-N 463.590 2.271 30 10 JEEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1705798806 BODQQFMDXXRADQ-NRFANRHFSA-N 471.650 2.393 30 10 JEEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 1705828085 BANBKGBULABIQB-UHFFFAOYSA-N 451.506 2.429 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC(S(=O)(=O)CC)CC1 1705907290 HFKJZCPQVOAKIF-UHFFFAOYSA-N 475.615 2.180 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2sccc2C)C1 1705926102 YMYGHKPDJXNWEO-ZWKOTPCHSA-N 481.644 2.005 30 10 JEEE CNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(N(C)C)CCSC2)CC1 1711350773 BWJIEDHYWDPHAN-HSZRJFAPSA-N 453.616 2.216 30 10 JEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1 1722324488 SIWGIVZHANTCNO-SJORKVTESA-N 482.651 2.431 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCN(CC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1722358248 FIHACTRTELADTE-JOCHJYFZSA-N 498.653 2.258 30 10 JEEE C#CCN(c1nnc(-c2cc3ccccc3o2)n1CCC(=O)NCCC)[C@H]1CCS(=O)(=O)C1 1722361566 ZVEQQEAJRGCVTQ-SFHVURJKSA-N 469.567 2.234 30 10 JEEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CCc1ccc(F)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1722367380 WAPDJXCVTJMUMU-WZONZLPQSA-N 494.564 2.078 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CCOc1ccc(Cl)cn1)[C@@H]1CCS(=O)(=O)C1 1722367785 XTINMTIDIJFBBR-LJQANCHMSA-N 486.985 2.018 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(N(C)C)nc1 1722384507 RGSGEXSGROWYOM-HXUWFJFHSA-N 479.585 2.169 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC)cc1F 1722517070 GKOBHOKURKUTAQ-LJQANCHMSA-N 467.567 2.209 30 10 JEEE C=C(Cl)Cn1c(CCc2ccccc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1722554114 FWOBDAVADZKRIA-UHFFFAOYSA-N 456.978 2.087 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CC[C@@](C)(C(=O)NC)C1 1722693842 BPPKAWSLGYCWPL-NPMXOYFQSA-N 456.616 2.396 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCCN(C(C)(C)C)CC1 1722700367 GQFVCHIWXRCTAS-UHFFFAOYSA-N 450.591 2.129 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N(C)C[C@H]2CCN(C(C)=O)C2)cc1 1722702663 OSBQULBQIISJHK-OAQYLSRUSA-N 466.586 2.432 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1722706960 BVMWEXOVSVWPQP-IAGOWNOFSA-N 492.502 2.347 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@](F)(C#N)C1 1722723695 CITVCJNVDJHSCX-KRWDZBQOSA-N 471.356 2.089 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1C[C@H](C)O[C@H](C2CC2)C1 1722729445 KVGBOWTXCNXOSS-KSSFIOAISA-N 451.618 2.238 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC[C@@H](CC(N)=O)C1 1722730046 GRJHXIIWMKPBJT-KRWDZBQOSA-N 470.599 2.043 30 10 JEEE COc1ccc(Cn2c(Cc3cccnc3)nnc2N2CCO[C@H](C#N)C2)c(OC)c1OC 1730165980 BXFIBUFAVNFACO-GOSISDBHSA-N 450.499 2.067 30 10 JEEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCC(NS(=O)(=O)CC)CC1 1740582607 FZQMSGRGFSMBTD-UHFFFAOYSA-N 483.436 2.368 30 10 JEEE C#CCCCn1c(COc2ccc(OC)cc2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1740595800 KPSPZORCCVIBMJ-UHFFFAOYSA-N 475.553 2.100 30 10 JEEE C#CCN(c1nnc(-c2ccc(Br)cc2)n1CCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1740619458 OTKCIMISLVWCCN-IBGZPJMESA-N 492.443 2.430 30 10 JEEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1cc(Br)ccc1F 1740632318 ZREFEOJEMVBETN-AWEZNQCLSA-N 482.379 2.105 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@]1(OC)CCOC1 1740647889 YQKRRHMGYPDEAU-DEOSSOPVSA-N 454.527 2.239 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(F)cc2Br)n1CCNS(=O)(=O)CC 1740650447 AMNFYSUNYHVFJD-UHFFFAOYSA-N 482.379 2.249 30 10 JEEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1CC(C)(C)N1CCC(OC)CC1 1740658834 QJFQLHNQMIVYPM-UHFFFAOYSA-N 451.619 2.492 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN1C(=O)OC(C)(C)C 1740671359 FRZJWCQRRWUEJP-DLBZAZTESA-N 451.593 2.039 30 10 JEEE C#CCN(CCOC)c1nnc([C@]2(OCC)CCOC2)n1Cc1c(Cl)c(C(F)(F)F)nn1C 1740679907 MLLJHOFGHYFEAM-IBGZPJMESA-N 490.914 2.470 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H]2CC(=O)N(c3ccccc3)C2)CC1 1740689739 ZUUCDFVOXFGOCQ-FQEVSTJZSA-N 477.613 2.005 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@@H]2CCN(CCC)C2)CC1 1740698769 VOZONEXSGCVSOE-HXUWFJFHSA-N 482.629 2.458 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCCc2cccc(C)n2)CC1 1740699923 ZBEGIMBHBBGCSV-UHFFFAOYSA-N 463.611 2.361 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC2CCOCC2)CC1 1740704670 VXUUKRHAOLBIAK-UHFFFAOYSA-N 467.570 2.355 30 10 JEEE C=C1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CC(=O)NCC(F)(F)F)CC1 1740826277 ZVQOUYOEZYJMPH-UHFFFAOYSA-N 464.496 2.287 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc(-c2cnn(C)c2)n1CCN1CCN(C(C)=O)CC1 1740920349 BBXGIPFYDKHRDK-UHFFFAOYSA-N 466.565 2.174 30 10 JEEE C=CCOc1ccc(Cn2c([C@H]3CCCOC3)nnc2N2CCC(NS(C)(=O)=O)CC2)cc1 1740967510 ISWORVPHXZKHBX-IBGZPJMESA-N 475.615 2.303 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC(C(=O)Nc2ccc(C)cn2)CC1 1740990101 ILDFRVQIIIQTGZ-UHFFFAOYSA-N 483.598 2.433 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(C)C1CCN(C(=O)c2ccccc2)CC1 1740990206 MIWMKHRZRFFQCU-UHFFFAOYSA-N 497.625 2.020 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(OC)cc2)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1740994606 URUSSJGPLMPGJZ-NQIIRXRSSA-N 476.599 2.472 30 10 JEEE C=CCSCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CC[C@@H](C(N)=O)C1 1741000986 ZUSGJRMRIMAJQC-MRXNPFEDSA-N 467.599 2.467 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1cccc(Cl)c1 1741131907 HVDVADAFKBAGSE-QEEYODRMSA-N 451.980 2.337 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1CCCN1CCCO[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1748820659 GOLDZDSTEPZBKD-FPOVZHCZSA-N 491.683 2.058 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCc2ccc(C=C)cc2)CC1 1749015669 IRLIBBOSOIORKG-UHFFFAOYSA-N 460.582 2.252 30 10 JEEE C#CCSCCn1c([C@H]2CCOC2)nnc1N(C)CCN1CCN(c2ccccc2)CC1 1749037528 GFDHDGWWTPLMPP-NRFANRHFSA-N 454.644 2.407 30 10 JEEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1749044876 VTGCZMPBRUONGL-SFHVURJKSA-N 484.655 2.398 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NCC)CC1 1749120561 FVXVSZCQKQKEAL-GMAHTHKFSA-N 463.586 2.056 30 10 JEEE C=C(Cn1c(N2C[C@@H](O)[C@H](CC(=O)OC)C2)nnc1[C@@]1(OCC)CCOC1)c1ccccc1 1749246367 ASQAKXXVZOHDAZ-YOSAUDMPSA-N 456.543 2.004 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1749268737 GIZVSTZABCPHGD-YUELXQCFSA-N 460.000 2.282 30 10 JEEE C=CCC(C)(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1749355156 BSEZIZDLHUMRML-KDURUIRLSA-N 461.588 2.359 30 10 JEEE C=CCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC(N(C)C(C)=O)CC1 1749637932 LXAVYMGXNIWBRB-UHFFFAOYSA-N 451.619 2.276 30 10 JEEE C[C@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1CCNC(=O)Cc1cccc(F)c1 1750059848 CKCQELCUJDUQKR-MRXNPFEDSA-N 464.505 2.019 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1750060350 GPGZIFBQXCYPJS-STXHMFSFSA-N 467.979 2.217 30 10 JEEE C[C@H]1CN(Cc2cccc(Cn3c(CN4CCCC4=O)nnc3N(C)[C@H](C)CC#N)c2)CCO1 1752396293 BFMQVOCVKRAFSN-UXHICEINSA-N 465.602 2.408 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCc1nc2c(s1)CCCC2 1760097976 MKJWROXBNHTOBS-GJZGRUSLSA-N 450.634 2.314 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1OCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1760185335 VMUSXFITRGOBKV-UXHICEINSA-N 453.568 2.259 30 10 JEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc(C[S@](C)=O)cc1 1760200430 INPNCLWVAMPQRJ-UMSFTDKQSA-N 494.646 2.238 30 10 JEEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1Cc1ccccc1CN1CCC[C@@H]1CO 1760206662 HYPFZKOGNXIGDK-RUZDIDTESA-N 471.609 2.218 30 10 JEEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1CC(F)(F)CO1 1760219144 WGYRHCHJUYNYRC-IBGZPJMESA-N 455.513 2.339 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCCO[C@H]2C(C)C)CC1 1760252937 YIZWOYZBQZSULV-CTNGQTDRSA-N 451.575 2.132 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(OCCCN(C)C)cc2)CC1 1760259771 PXLQZWFRMIOSRA-QHCPKHFHSA-N 466.630 2.306 30 10 JEEE C=C(Cl)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CC[C@H](S(C)(=O)=O)C1 1760372971 CKDPHFFTVILJLW-HNNXBMFYSA-N 476.990 2.441 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](COCC)C1 1760412860 SXDVQMNEUFAOSS-RBUKOAKNSA-N 469.652 2.466 30 10 JEEE CC(C)NC(=O)CN(C)c1nnc(-c2ccc(C#N)cc2)n1CCc1nnc2n1CCCCC2 1761251746 FJYPNEZQYOBQAN-UHFFFAOYSA-N 461.574 2.338 30 10 JEEE Cc1cc(C)cc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CC(C)(C)N2CCOCC2)c1 1761670430 ARDWVIGCKYFOOE-OAQYLSRUSA-N 454.575 2.314 30 10 JEEE CCN(CC)C(=O)CN1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCOC2)CC1 1764881269 HBYKCFCPHRCUTD-OAQYLSRUSA-N 465.602 2.234 30 10 JEEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCOc1ccc(Cl)cn1 1764919284 HGQXVWQXBUEDGM-OAHLLOKOSA-N 453.938 2.345 30 10 JEEE C=CCNC(=O)[C@H](NC(=O)[C@H]1CC(=O)N(CCc2ccc(OC)c(OC)c2)C1)c1ccccc1 1861593128 GMQKUVKRUBOYNM-GBXCKJPGSA-N 465.550 2.255 30 10 JEEE C=CCOc1ccccc1OCC(=O)Nc1nc(N(CCO)CCO)nn1-c1ccc(Cl)cc1 1869955591 QTNKHWZHYNHDGQ-UHFFFAOYSA-N 487.944 2.294 30 10 JEEE COc1cc(/C=N/n2c(SCC(N)=O)nnc2[C@@H]2CCCO2)cc(Br)c1O 1874444418 DKLPOVKILOXJRN-MDIIPYEWSA-N 456.322 2.066 30 10 JEEE C=CCn1c(C(=O)N2C[C@H](C)O[C@@H](C)C2)cc2c(NCc3ccc(S(N)(=O)=O)cc3)ncnc21 1875229963 JDEAMDFFFSTUMJ-HOTGVXAUSA-N 484.582 2.126 30 10 JEEE N#Cc1nc(-c2cccs2)oc1N1CCC(C(=O)N2CCC(n3cc(CCO)nn3)CC2)CC1 1891905903 WXAAMOPSLWORSK-UHFFFAOYSA-N 481.582 2.481 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CO)CNC(=O)c1cc(Cl)ccc1B1OC(C)(C)C(C)(C)O1 2255544721 DOBOZTYLAXHMMM-AWEZNQCLSA-N 454.760 2.255 30 10 JEEE C[C@H](CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1F)NC(=O)OC(C)(C)C 2255743708 HFMWGRDZGUKCKF-CYBMUJFWSA-N 458.361 2.316 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2C(CNS(=O)(=O)c3cc(B4OC(C)(C)C(C)(C)O4)cs3)[C@@H]2C1 2267367936 AZNYVDDRRKXOJV-HOTGVXAUSA-N 484.449 2.439 30 10 JEEE CON(C1CN(C(=O)OC(C)(C)C)C1)S(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2267372020 IKPHIXYFMXRRJN-UHFFFAOYSA-N 468.381 2.157 30 10 JEEE CN(C[C@@H]1CCN1C(=O)OC(C)(C)C)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2267462888 GAFHYAQQPWAERK-AWEZNQCLSA-N 487.453 2.213 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2[C@@H]1NC(=O)c1ccsc1B1OC(C)(C)C(C)(C)O1 2267476758 CGPUWTLDURJWAL-XZDPQHSOSA-N 464.393 2.458 30 10 JEEE CC(C)(C)OC(=O)NC[C@]1(O)CCCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)C1 2267552118 QEBUQXJFVHTFQJ-JOCHJYFZSA-N 450.341 2.071 30 10 JEEE Cc1cc(C(=O)NC[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)sc1B1OC(C)(C)C(C)(C)O1 2267573824 NVHYQROJGZIOAX-JOCHJYFZSA-N 466.409 2.457 30 10 JEEE CN(C(=O)OC(C)(C)C)C1CN(S(=O)(=O)Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2267710490 WPJATYBKTCVLTN-UHFFFAOYSA-N 466.409 2.367 30 10 JEEE C=C(CS(=O)(=O)NC[C@@]1(C)COCCN(C(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2267726007 IUEZXIFPKPYSIL-OAQYLSRUSA-N 474.429 2.367 30 10 JEEE CC(C)(C)OC(=O)NCCOCC(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)ccc1F 2268662461 ACAPBPHOKJPHEV-UHFFFAOYSA-N 452.332 2.282 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](CC(=O)NCc2sccc2B2OC(C)(C)C(C)(C)O2)[C@@H](O)C1 2268668340 DBVVWTGCNXJFEM-HOCLYGCPSA-N 466.409 2.281 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCO[C@@H](C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)C1 2268714764 LSLNSHKQCOQOHW-DZGCQCFKSA-N 467.397 2.131 30 10 JEEE Cc1c(C(=O)N[C@@H]2C[C@H]3[C@H]2CCN3C(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281806325 IPRZEMBMOYYFTM-XHSDSOJGSA-N 460.384 2.155 30 10 JEEE Cn1ncc(C(=O)NCC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2281811406 DINSBGUSUVKMIA-MRXNPFEDSA-N 462.400 2.486 30 10 JEEE C[C@H]1OC2(CNC(=O)OC(C)(C)C)CC1(NC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1)C2 2282009560 RLOKCFBRBFJCIM-ZOEHTXHGSA-N 479.408 2.387 30 10 JEEE Cc1cc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2O)ccc1B1OC(C)(C)C(C)(C)O1 2282113718 TVRZNGDBEREXSX-RBUKOAKNSA-N 460.380 2.394 30 10 JEEE C[C@@H]1CN(C(=O)OC(C)(C)C)CCN(S(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282301265 DPZLDXVDPSTJKU-MRXNPFEDSA-N 481.424 2.258 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)CCCO1 2282520663 SWHNTQDDOOXECI-INIZCTEOSA-N 461.368 2.137 30 10 JEEE CN1CCC(CNC(=O)OC(C)(C)C)(NC(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)CC1 2282540792 OROFPGSUHPPUPE-UHFFFAOYSA-N 480.440 2.161 30 10 JEEE Cn1cc(C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)CC23CC3)nc1B1OC(C)(C)C(C)(C)O1 2282545045 PRQCRVYPWCTIAJ-OAHLLOKOSA-N 460.384 2.381 30 10 JEEE Cn1cc(C(=O)N[C@H]2CC23CCN(C(=O)OC(C)(C)C)CC3)nc1B1OC(C)(C)C(C)(C)O1 2282550308 XMDCVDXUNCEJJN-INIZCTEOSA-N 460.384 2.239 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(C(=O)OC(C)(C)C)CC12CC2 2282607594 LUVCHCYTHOXRLM-UHFFFAOYSA-N 460.384 2.428 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCc1cnc(NC(=O)OC(C)(C)C)s1 2282868818 STIJPVUSCWWTBF-UHFFFAOYSA-N 499.424 2.001 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1CCc2c(B3OC(C)(C)C(C)(C)O3)cccc21 2283961153 BTJKBRPDQQATBE-DNVCBOLYSA-N 458.364 2.245 30 10 JEEE C[C@H]1COC[C@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)N1C(=O)OC(C)(C)C 2283969295 IDRVPEDDZIYBMF-XJKSGUPXSA-N 465.331 2.483 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H](O)CCC(=O)NCCc1ccccc1B1OC(C)(C)C(C)(C)O1 2283973933 KIVUDVATIIAGJL-SFHVURJKSA-N 462.396 2.310 30 10 JEEE Cc1nn(C)c(C)c1C(O)=C1C(=O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccc(Cl)cc1 2296618939 SYDSLSWKFABTCF-FQEVSTJZSA-N 458.946 2.444 30 10 JEEE COC(=O)c1[nH]c(C)c(C(O)=C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccccc2F)c1C 2296925704 VXGLJBKMSSYWCE-OAQYLSRUSA-N 485.512 2.311 30 10 JEEE Cc1ccc(S(=O)(=O)N=C(CN2CCCC2)N2CCN(S(=O)(=O)c3ccccc3)C2)cc1 2313620726 NNPCHOWIIAOACL-UHFFFAOYSA-N 476.624 2.142 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@H](C(=O)N3CC[C@H](B4OC(C)(C)C(C)(C)O4)C3)O[C@H]2C1 2342470065 JXRMHHRKXJRRPM-LUKYLMHMSA-N 452.357 2.084 30 10 JEEE Cc1c(C(=O)N[C@H]2C[C@@H]3[C@H]2CCN3C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2359268075 SSMHCLYFPRJUEQ-HRCADAONSA-N 460.384 2.155 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1C[C@@H]2CC[C@H]1N2C(=O)OC(C)(C)C 2362336193 CYPFMWUOAHRMHN-HRCADAONSA-N 460.384 2.237 30 10 JEEE COc1ccc(NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2365287277 WYJZLPSDZIJEQN-WBVHZDCISA-N 462.352 2.303 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](CNC(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)N2CC[C@H]1C2 2368747771 PEYSTKNCEQBVNI-JKSUJKDBSA-N 461.368 2.002 30 10 JEEE COc1ccc(NC(=O)CSc2nnc(N/N=C(\C)c3ccc4c(c3)OCO4)n2N)cc1 21318109 XGDNMXBDTWYSFZ-FSJBWODESA-N 455.500 2.296 30 10 JEEE COc1cc(CNC(=O)CSc2n[nH]c(N/N=C/c3ccc(O)cc3O)n2)cc(OC)c1 58994137 RTZIYEKAAVWPRB-LSHDLFTRSA-N 458.500 2.088 30 10 JEEE COc1cc(OC)c([C@@H]2c3c(nc(N4CCC[C@H](C)C4)[nH]c3=O)NC(=O)[C@@H]2C#N)cc1OC 72444976 SLWYUWHTAFTAMF-WRSAYESZSA-N 453.499 2.256 30 10 JEEE COc1cc(I)c2c(c1OS(=O)(=O)c1ccccc1C#N)CNC2=O 89211095 FGAGTGAHALHIID-UHFFFAOYSA-N 470.244 2.183 30 10 JEEE Cc1nn(C)c(C)c1/C(O)=C1/C(=O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1ccc(F)cc1 102758117 XPGVQJDQZBNDFN-SADKCHQCSA-N 456.518 2.320 30 10 JEEE O=[N+]([O-])c1ccccc1C=NN1CCN(c2ccncc2S(=O)(=O)N2CCCCC2)CC1 252636911 XNJSBQPYHQJUAC-UHFFFAOYSA-N 458.544 2.321 30 10 JEEE CCCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccc2c(c1)CCC2 729669746 TVQXNNNLQDUPFN-UHFFFAOYSA-N 469.570 2.065 30 10 JEEE CC#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](CCO)C(=O)O 757210928 NEYNUOHILHQETN-FCHUYYIVSA-N 450.491 2.259 30 10 JEEE CC#CC[C@@H](NC(=O)C[C@H](O)CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 757211585 NSRCKMDAYVESOM-KSFYIVLOSA-N 450.491 2.259 30 10 JEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3cc(Br)no3)CC2)cc1 1141037828 AQPIDBJUSLYAHD-UHFFFAOYSA-N 453.318 2.026 30 10 JEEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(N2CCOCC2)nc1 1286304939 YVPNRKCSEWLZJP-KRWDZBQOSA-N 465.583 2.007 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCCCN1CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1286390264 ZNGCASWCXDVNBA-PMACEKPBSA-N 458.632 2.412 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCOCC1 1286555882 LSQXOBASUMRTPD-QRVBRYPASA-N 463.579 2.404 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2c(Cl)cccc2C1 1286592477 HCDDEALGLLTGTB-GOSISDBHSA-N 451.980 2.403 30 10 JEEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)OC)CC1 1286628928 HUYBBGMHPQIQLA-HNNXBMFYSA-N 470.958 2.227 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCCN2CCCC[C@H]2C)CC1 1286645472 CWHHBYYZMGRZGO-NHCUHLMSSA-N 480.679 2.422 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)N[C@@H](C)c1ccccc1 1286727262 NUTGLEAZHBKNIW-ICSRJNTNSA-N 476.647 2.363 30 10 JEEE CC(C)NC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1288232532 CXMDVOFWJUCYAR-UHFFFAOYSA-N 498.389 2.154 30 10 JEEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCOc1ccc(Cl)cn1 1293097343 HWXFTNXTUKXBKF-UHFFFAOYSA-N 455.954 2.208 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2C[C@H]3CC[C@H]2C3)c1 1300330777 DAGYDPGBAILCJO-GTAWCEEGSA-N 484.626 2.381 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2CCCOC2CCOCC2)c1 1300334783 TZPICBKUQORIIR-FQEVSTJZSA-N 467.570 2.424 30 10 JEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(=O)Nc2ccccc2)CC1 1300380735 HGFAPSDLSOUVRF-KRWDZBQOSA-N 473.603 2.092 30 10 JEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 1300410559 PALFIGFJUQYEOZ-QFBILLFUSA-N 474.562 2.133 30 10 JEEE C#CCN(C)c1nnc(Cc2ccncc2)n1C[C@@H]1C[C@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1300466981 BZIHLCOUOINXCL-SLFFLAALSA-N 452.559 2.358 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC(=O)Nc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1300490968 DALGLBZNKVDQCJ-LJQANCHMSA-N 482.541 2.053 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1CCCSc1nccs1)[C@H]1CCS(=O)(=O)C1 1300496746 UPSPEJMEVMNDLX-HOTGVXAUSA-N 467.642 2.048 30 10 JEEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1C[C@H](c1ccccc1)N1CCOCC1 1300512706 LRWZBOYOIXCPAR-BVAGGSTKSA-N 463.582 2.077 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](CC)Oc1cccc(F)c1 1300631853 XHXCKIDTHREESI-ICSRJNTNSA-N 479.578 2.067 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H]2CCCO[C@@H]2C(C)C)CC1 1300716346 LDEINRDBFBHYBM-VRUMLPLGSA-N 487.645 2.347 30 10 JEEE C=C(Br)Cn1c(N2CC[C@H](OCCOC)C2)nnc1[C@]1(OC(C)C)CCOC1 1300861473 JAGGHLUXIFEZRD-LPHOPBHVSA-N 459.385 2.469 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(CO)CC1 1300867954 ALGYIGUQYWYAMT-IFMALSPDSA-N 489.642 2.385 30 10 JEEE COC[C@@H]1CCCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1301250777 HAWWJEUCLAXSHC-UXHICEINSA-N 473.599 2.416 30 10 JEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](Oc2ncccc2F)C1 1301257941 HGSNBRZSDPDTLC-ZWKOTPCHSA-N 479.578 2.355 30 10 JEEE C=CCCOCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)COC)CC1 1301261116 CBTMGHZAWNPZAP-IBGZPJMESA-N 492.621 2.238 30 10 JEEE C=CCn1c(N2CCN(CC(=O)N(C)C3CCCCC3)CC2)nnc1[C@@]1(OCC)CCOC1 1301474001 QHESRKHRIWNGML-XMMPIXPASA-N 460.623 2.029 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl 1301479215 WHRVMULEAINCHB-YJYMSZOUSA-N 464.357 2.248 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CC(F)(F)CNC(=O)OC(C)(C)C)C1 1301566392 MYNNSDYPQMPASB-MRXNPFEDSA-N 484.548 2.342 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2(O)CCN(C(C)C)CC2)C1 1301566404 NGNJFBSGQZMEPY-OAQYLSRUSA-N 457.623 2.156 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CCCN(C(=O)C(C)C)CC1 1301585798 BKOISMXPKVDZRB-UHFFFAOYSA-N 489.642 2.173 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCCC1(C)C 1301587066 XHRCDLPSICTTAD-UHFFFAOYSA-N 456.572 2.172 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)OC(C)(C)C1 1301592686 CBWLZBMWQRTELI-KRWDZBQOSA-N 459.572 2.333 30 10 JEEE CN(C)C(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1314639881 CTHQNPORIYXTOE-UHFFFAOYSA-N 482.495 2.228 30 10 JEEE N#Cc1cccc(-c2nnc(N3CCS(=O)(=O)C4(CCCCC4)C3)n2CC(=O)NCC(F)F)c1 1316530492 IBAUWBIMKIAOFW-UHFFFAOYSA-N 492.552 2.136 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1ccc(OC)cc1OC)[C@H]1CCS(=O)(=O)C1 1358960660 JCCZDEQUHLHIFE-IBGZPJMESA-N 467.551 2.032 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccccn2)n1C[C@H]1CCS(=O)(=O)C1 1359017894 VRBQMEPMRPPZDN-LJQANCHMSA-N 453.543 2.478 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCC2(O)CCOCC2)CC1 1359032190 GCLXJSDQQXUGCA-UHFFFAOYSA-N 459.978 2.294 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC(C)(C)CCOC)CC1 1359036130 NYBLYFNULQRDMO-FQEVSTJZSA-N 490.649 2.404 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H](C)N(C)c2ccccc2)CC1 1359045061 VPYNMUUIPHHGDH-PZJWPPBQSA-N 450.587 2.273 30 10 JEEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(N(CC)CC)CC1 1359083176 CZPCJHCXYPBTNT-HNNXBMFYSA-N 460.442 2.399 30 10 JEEE C=C(Cn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1)c1ccccc1 1359136990 AXDAOVFGFJAYLU-NZQKXSOJSA-N 479.629 2.119 30 10 JEEE C=C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC1 1359169690 QWULZPQNNACJOJ-HBMCJLEFSA-N 460.623 2.101 30 10 JEEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1359197433 PCHHIWOCYDSYJN-UHFFFAOYSA-N 454.579 2.304 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(C(=O)NCCCC)CC1 1359296821 VPZLWMSIJIZRKZ-UHFFFAOYSA-N 468.558 2.109 30 10 JEEE CC[C@H](C)NC(=O)[C@@H]1CSCN1S(=O)(=O)c1cc(Br)c(C#N)cc1F 1474799964 AKVJINDAXDTDCI-ZANVPECISA-N 450.355 2.438 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1CCN(C)C1CCCC1)[C@H]1CCS(=O)(=O)C1 1507634287 JHVOFCWNUJPWHI-QFIPXVFZSA-N 485.654 2.379 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCCCN2CCOCC2)CC1 1507724304 MTXLIGDKUHALQN-UHFFFAOYSA-N 457.022 2.390 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@](C)(O)C2CC2)CC1 1507737192 ZSSGEJJSJQIHHR-JOCHJYFZSA-N 489.418 2.173 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1507803549 HSIVPCYOUQDQSL-SIKLNZKXSA-N 477.606 2.461 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CCc2ccccc2)nnc1N1CCN(CC(=O)NCC)CC1 1507803970 DMSVBDSQSBKNIW-DHLKQENFSA-N 466.630 2.303 30 10 JEEE C=C(C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1507830853 HXYJTNDBMIOEPP-UHFFFAOYSA-N 458.994 2.079 30 10 JEEE C=C(C)COCCn1c(CC)nnc1N1C[C@H](NC(=O)OC(C)(C)C)C2(CCS(=O)(=O)CC2)C1 1507845810 QGAHCMMNPUTCAQ-SFHVURJKSA-N 497.662 2.342 30 10 JEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cc(OC)c(OC)c(OC)c2)CC1 1507880401 IFKCTNPPSDMFJM-HNNXBMFYSA-N 465.576 2.119 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1508103875 FKFSDSPQXMBALL-HSZRJFAPSA-N 473.599 2.044 30 10 JEEE Cc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CCCCS2(=O)=O)cc1C 1511004497 ATZYMPKEBNQUCX-VQTJNVASSA-N 459.572 2.170 30 10 JEEE CCN(CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(c2ccccc2C#N)CC1)C(C)C 1515726299 CIRKYJXUFRGEJB-QFIPXVFZSA-N 499.685 2.499 30 10 JEEE COCCN(CCC#N)c1nnc(C2CCC2)n1CC(=O)N1CCN(c2ccccc2)CC1 1519162664 HBTNYGVIMMFHFN-UHFFFAOYSA-N 451.575 2.261 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cn3nc(C)cc3C)n2CCc2cn[nH]c2)c1 1539046752 ZWPCSSRDVIDCMI-UHFFFAOYSA-N 457.542 2.162 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(N2CCCC2)cc1 1539124263 CYFVHZAWJARYLU-JOCHJYFZSA-N 486.642 2.261 30 10 JEEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1539155952 YSUNAZPTTGEECY-UHFFFAOYSA-N 496.568 2.295 30 10 JEEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@H]1CCCCS1(=O)=O 1539171974 QOPADKGZIUXDCV-QGZVFWFLSA-N 468.583 2.102 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1C[C@]1(O)CCSC1)[C@H]1CCS(=O)(=O)C1 1539205020 FATHQENKNAYGKH-PNLZDCPESA-N 494.614 2.052 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@](C)(O)c2cccc(Cl)c2)CC1 1539462009 AJGAAOGZYGNAAY-VWLOTQADSA-N 499.015 2.041 30 10 JEEE C#CCN1CCN(c2nnc(CSc3ccc(C)cc3)n2CC(=O)NCC(F)(F)F)CC1 1539462864 MYQSZSQWLBBICS-UHFFFAOYSA-N 466.533 2.313 30 10 JEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccc(C3OCCO3)c2)CC1 1539873778 DIALFVTUHGPCRD-MRXNPFEDSA-N 461.588 2.384 30 10 JEEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C2CCOCC2)CC1 1540858429 WREAZZWJQGRBCI-LJQANCHMSA-N 462.595 2.074 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1540865421 GHKKKRNWZDFAKD-KRWDZBQOSA-N 464.574 2.384 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCC[C@@H]2CC)C1 1540893243 ZELAYAHJTWRMDA-NMLBUPMWSA-N 467.636 2.219 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCN(c2nccnc2C)CC1 1540900341 SDJJGKLOVVLINN-UHFFFAOYSA-N 467.599 2.279 30 10 JEEE CC[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)N2CCSCC2)C1 1546690055 FMEQORIKSBQBJW-QGZVFWFLSA-N 460.629 2.432 30 10 JEEE CCCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCOC[C@@H]2C)C1 1546807991 BEQMKPPVNYUYFZ-SIKLNZKXSA-N 465.602 2.423 30 10 JEEE CN(C[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)CCCO2)C1)S(C)(=O)=O 1554228853 HVESPCNXVWLQTN-CVDCTZTESA-N 472.615 2.494 30 10 JEEE COc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CC2(C(=O)N(C)C)CCCC2)cc1 1554978744 FBNCTWDCFKYLAW-HXUWFJFHSA-N 468.558 2.243 30 10 JEEE Cc1nc(C#N)c(N2CCC(C(=O)N3CCO[C@H](c4ccc(S(C)(=O)=O)cc4)C3)CC2)o1 1557644758 HFDLPHHJHPHRSL-FQEVSTJZSA-N 458.540 2.075 30 10 JEEE C#CCN(CC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1OCC)C1CSC1 1559986156 LAKMFEMPVSDTTO-UHFFFAOYSA-N 451.614 2.249 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1CC1(O)CCS(=O)(=O)CC1 1587586586 QQRQZLBZYBOYHW-CQSZACIVSA-N 467.389 2.105 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1CCCOC)[C@H]1CCS(=O)(=O)C1 1588034416 FRGHTNGKFDFPMF-INIZCTEOSA-N 454.499 2.210 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1588074491 NNVNWUAAYQMBCA-FHWLQOOXSA-N 493.630 2.013 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2Cc2cnn(C)c2)CC1 1588907706 DSLXEEPOWFUDCX-UHFFFAOYSA-N 467.961 2.355 30 10 JEEE C#CCSCCn1c(COc2cc(C)ccc2C)nnc1N1CCN(CC(=O)N(C)C)CC1 1589109637 HYUCFKASOXRSEL-UHFFFAOYSA-N 470.643 2.051 30 10 JEEE C=C(C)Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1589701341 ZTMXWZKXPBJEOD-NQIIRXRSSA-N 459.639 2.152 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1nccs1 1595083732 FBECSPWSBKCINY-OAHLLOKOSA-N 457.585 2.457 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@@H](c2ccnn2C)C1 1595467788 ZTSGQZNIIAJBTD-GOSISDBHSA-N 497.003 2.281 30 10 JEEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(Cc2cc(C)on2)CC1 1595556167 PTUHMCWMQBWRLU-UHFFFAOYSA-N 471.512 2.068 30 10 JEEE C=CCNC(=O)Cn1c(N2CCCN(c3ccccc3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1595602510 LONAXYKZIXLIHA-VWLOTQADSA-N 468.602 2.338 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1595798508 PUKQKNFAGFNPKL-AZUAARDMSA-N 451.637 2.084 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 1595812448 UKXFALHPJBWEPS-UHFFFAOYSA-N 468.539 2.336 30 10 JEEE C[C@H](Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@H](C#N)C1)c1nccs1 1611498849 HPFWCTBMBCROLK-WBVHZDCISA-N 487.611 2.184 30 10 JEEE CCC(O)(CC)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1613669255 CWIWIFDNUOXKFZ-NRFANRHFSA-N 465.602 2.364 30 10 JEEE CO[C@@]1(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CCN2CCOC(C)(C)C2)CCOC1 1619061702 FPPZLMICHNLXQR-RUZDIDTESA-N 484.601 2.081 30 10 JEEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)NC(C)(C)C)C[C@@H]1C 1619937340 HMVFLDOHYULNOJ-SFHVURJKSA-N 453.591 2.278 30 10 JEEE C#CCNC(=O)CN1CCCN(C(=O)c2c(-c3cccc(Br)c3)noc2C)CC1 1627015755 ZQPKGINELWHSAA-UHFFFAOYSA-N 459.344 2.310 30 10 JEEE C=C(C)[C@H](NC(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1)c1ccc(F)c(F)c1 1632116464 WNGJJZUUKKZONL-IBGZPJMESA-N 453.515 2.468 30 10 JEEE C#CCCN(CCOC)C(=O)c1ccc(NC(=O)C[C@@H]2SC(N3CCCC3)=NC2=O)cc1 1642186689 MXJDQGPKMPEZLF-IBGZPJMESA-N 456.568 2.221 30 10 JEEE CC#CC[C@H](CO)NC(=O)c1cc(S(=O)(=O)NCCOc2ccccc2)ccc1Cl 1644467052 VEJZCIJXOQRPSQ-MRXNPFEDSA-N 450.944 2.201 30 10 JEEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@H]1CCCN(C(C)=O)C1 1689860636 FAQMJPYPHCJYKC-UPVQGACJSA-N 477.657 2.359 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1689989729 IBTCQUBKLDHLQA-PLACYPQZSA-N 477.675 2.165 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@](C)(O)[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1689992423 KSQBMTVDBYRQOW-FPGHNAPASA-N 474.627 2.301 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCC[C@@H]2C(F)(F)F)CC1 1690124659 QERGJDZJKCGXFH-KSZLIROESA-N 473.565 2.304 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCc2ccc(C)c(OC)c2)CC1 1690135549 ZAKMOHYAZIVDRW-GMAHTHKFSA-N 453.587 2.317 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1690227550 BMAFEJDOXKHVPS-SFHVURJKSA-N 480.455 2.133 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3ccccc3n2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1690719254 IZFXGLMVKVLIQO-SJORKVTESA-N 491.639 2.352 30 10 JEEE CC(C)Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1Cc1ncccc1N(C)C 1692218532 GWRBTHNSKDBLSR-SFHVURJKSA-N 460.590 2.363 30 10 JEEE Cc1cnn(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(Oc3cccc(C#N)c3)CC2)c1 1693301629 FZIJCFMRXUECEW-GOSISDBHSA-N 498.613 2.013 30 10 JEEE COC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CCC2)C1 1697030407 BKJMDCFJUJNECK-GOSISDBHSA-N 457.556 2.173 30 10 JEEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1CCN1CCOC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1705561694 SJZDNGTYBXIWJI-ACIOBRDBSA-N 485.654 2.167 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1CC1(OC)CCCC1)[C@@H]1CCS(=O)(=O)C1 1705569338 CDRPLKOSCAGTNI-HXUWFJFHSA-N 472.611 2.463 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CCC[C@@H](O)C1)[C@H]1CCS(=O)(=O)C1 1705571644 DWCGQRRJHQETID-FDKIHUSFSA-N 478.659 2.375 30 10 JEEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H](c1ccc(C)cc1)N1CCOCC1 1705574616 IRHWLJRCGNVUKB-RPLLCQBOSA-N 477.609 2.385 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCCN1CC 1705583036 PETVAKIWPQITEB-PMACEKPBSA-N 456.591 2.144 30 10 JEEE C#CCSCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C(=O)COC)CC1 1705656487 ZFXYJNRNHVXTEY-UHFFFAOYSA-N 451.955 2.399 30 10 JEEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1705727103 GBJGANCNMTYVLS-GOSISDBHSA-N 485.658 2.415 30 10 JEEE C=C1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1705766428 ZUFVKGOFOUHRKA-HSZRJFAPSA-N 476.599 2.449 30 10 JEEE C=CCCOCCn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1705831523 VQCIXCYCFKKOJT-JOCHJYFZSA-N 470.593 2.344 30 10 JEEE C=CCN(CC=C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1(C(N)=O)CCCC1 1705872060 JSOOQHVJUBSXSJ-UHFFFAOYSA-N 457.604 2.462 30 10 JEEE C=CCN(CCc1ccco1)c1nnc(C(=O)Nc2ccccn2)n1C[C@]1(O)CCO[C@@H]1C 1705878639 VUVCYSGSOZJUIO-UZUQRXQVSA-N 452.515 2.293 30 10 JEEE C=CCn1c(Cc2csc(C)n2)nnc1N1CCN(C[C@@H](O)COc2ccccc2)CC1 1705891917 GCWGYPBRGLTLPK-HXUWFJFHSA-N 454.600 2.382 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(Cc2ccccc2)C[C@@H]1C 1705909237 QZNGXITVKRSNEG-RRPUWOKSSA-N 468.602 2.015 30 10 JEEE CN(CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCO[C@@H](C#N)C1)CC(F)(F)F 1711211550 CHESQEWURYPDER-YOEHRIQHSA-N 452.437 2.013 30 10 JEEE N#Cc1ccc(OCc2nnc(N3CCN(CC(F)(F)F)CC3)n2CC2(C(N)=O)CCCC2)cc1 1712880221 BJXOKDYXZAEYOT-UHFFFAOYSA-N 491.518 2.459 30 10 JEEE N#Cc1ccc(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2CCCN2CCC(O)CC2)cc1 1712880397 IDANOPXNRXJZGT-HSZRJFAPSA-N 453.522 2.018 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCN(CC)CCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1722365706 DYVMVXCAYXWWOY-MSOLQXFVSA-N 491.580 2.421 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1Cc1cnn(C)c1C 1722380583 QOWVYBGDMIHCFL-UHFFFAOYSA-N 454.538 2.399 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCSCCCO)CC1 1722443634 XZPCPNZJTWDDTJ-UHFFFAOYSA-N 463.007 2.075 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)on2)n1CC(=O)NCC(F)(F)F 1722449914 VAJAPVSXIACUEY-UHFFFAOYSA-N 462.432 2.365 30 10 JEEE C=C(C)Cn1c(N2CCC(CC(=O)N3CCN(CC)CC3)CC2)nnc1[C@]1(OCC)CCOC1 1722553213 IMWITTRRUACBTJ-VWLOTQADSA-N 474.650 2.277 30 10 JEEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1CCC(C)CC1 1722630209 XDHHUVUNRGRWQD-CTWPCTMYSA-N 455.625 2.219 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCN2CCOC(C)(C)C2)C1 1722710634 LWZWCLLKLSRMLO-HYBUGGRVSA-N 463.623 2.211 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2C[C@H]2CCCCO2)c1 1740565479 WDHKSFBVTBACNP-HXUWFJFHSA-N 450.543 2.026 30 10 JEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1740574144 JVFQFSBJGSNJJL-JOCHJYFZSA-N 482.610 2.455 30 10 JEEE C#CCN(c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1740618660 JPARBOHWIHZHOT-MBSDFSHPSA-N 468.583 2.123 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@H](C)N1CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1740620225 CIKILNGFSXAJBV-HSALFYBXSA-N 458.632 2.031 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@@]1(N(C)C)CCSC1)[C@@H]1CCS(=O)(=O)C1 1740624786 KBYQDVWGMUZZGP-OFNKIYASSA-N 491.658 2.072 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@]2(O)CCCC2(C)C)CC1 1740698136 SZNVDQOYBAQULM-XMMPIXPASA-N 471.627 2.045 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2CCN2CCC(C)CC2)CC1 1740700449 UORMLEIZABUAFA-UHFFFAOYSA-N 452.603 2.353 30 10 JEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N(C)CCN1CCN(c2ccccc2)CC1 1740710255 UKZFFQROBWMPQR-UHFFFAOYSA-N 481.670 2.139 30 10 JEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccc(NC(=O)[C@@H]3CCCO3)c2)CC1 1740818635 PNWAZNJBFNJXRF-XLIONFOSSA-N 488.614 2.211 30 10 JEEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)Cc2cccc(OC)c2)CC1 1740875449 DBKAHLORFGARJE-FQEVSTJZSA-N 487.626 2.046 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N(CCS(C)(=O)=O)C1CC1 1740952945 RHBMPVSWXUECPY-UHFFFAOYSA-N 482.404 2.023 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@H]2CCS(=O)(=O)C2)C1 1740973644 BBYGTHGHYMQMPY-AEFFLSMTSA-N 492.598 2.187 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccn3C)n2C[C@@H](N2CCOCC2)C(F)(F)F)C1 1740976738 MVFOVQIGFUCFDL-SJLPKXTDSA-N 454.497 2.328 30 10 JEEE CCCNC(=O)CCn1c(CC(C)C)nnc1N1CCN(c2oc(C3CC3)nc2C#N)CC1 1745785047 DCIKURJLCYEEDJ-UHFFFAOYSA-N 454.579 2.457 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1cccc(C(OC)OC)c1)[C@@H]1CCS(=O)(=O)C1 1748819466 PBDGBYUCNNNKHD-JOCHJYFZSA-N 495.605 2.230 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(OCC)cc1)[C@@H]1CCS(=O)(=O)C1 1748821657 SAJLOVKFAISYIS-OAQYLSRUSA-N 482.610 2.213 30 10 JEEE C#CCN(CC)c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CCCCS1(=O)=O 1748912967 MWGVZYXWSQIGGY-HNNXBMFYSA-N 454.394 2.473 30 10 JEEE C#CCN(CCOC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC1([S@](C)=O)CC1 1748962570 LGYDUMFFDFMJND-XIFFEERXSA-N 479.647 2.390 30 10 JEEE C#CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](COC)O[C@H](C)C1 1749037985 LXKQQMZWMQLBHH-QYZOEREBSA-N 495.646 2.193 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1Cn1cccn1 1749054273 QSTRQQWPOBOCDV-WZONZLPQSA-N 467.599 2.174 30 10 JEEE COc1ccccc1SCc1nnc(N2CCO[C@H](C#N)C2)n1CCCC(=O)NC1CC1 1749114538 BBLHFQZVIFDBES-QGZVFWFLSA-N 456.572 2.367 30 10 JEEE C=C(Cl)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(CCOC)[C@H](C)C1 1749268475 BBDNPUAXMYOYDV-GOSISDBHSA-N 461.014 2.362 30 10 JEEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2CN(C(=O)OC(C)(C)C)C2)CC1 1749302985 CLYKCLDWTOWWDL-KRWDZBQOSA-N 451.593 2.204 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](c2nc(C(C)C)cs2)C1 1749670223 OVNHLWULANARHV-JKSUJKDBSA-N 457.604 2.495 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(c2ncccc2C#N)CC1 1749683362 QXEGELQFYBNKCJ-TZIWHRDSSA-N 478.601 2.092 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H](C)CN1CCN(CC)CC1 1760112393 GAQYQDBPTWVUOD-VXKWHMMOSA-N 479.677 2.184 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@H]1CCCOC1)[C@H]1CCS(=O)(=O)C1 1760191773 MYNWRVLOHXOLNY-UXHICEINSA-N 458.584 2.219 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1c[nH]c2cc(F)ccc12 1760210450 RUCQRMMGWGWIDM-MRXNPFEDSA-N 456.547 2.214 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCC2(O)CCOCC2)CC1 1760264389 LMBCLQLQPDIFCC-UHFFFAOYSA-N 459.978 2.197 30 10 JEEE C#CCSCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(CC(=O)NCC)CC1 1760276758 OHOPDBVJLFRSBT-UHFFFAOYSA-N 464.998 2.362 30 10 JEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1760510154 IDUQFXYIVFHWAG-JYJNAYRXSA-N 457.597 2.030 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1760520095 CAEQMJREKQQBGO-UHFFFAOYSA-N 466.586 2.485 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@H](C)C(C)(C)C1 1760552934 GOUQOKDFKCBVTO-KRWDZBQOSA-N 470.603 2.394 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCCO[C@H](c3ccccc3)C2)nnc1[C@@]1(OCC)CCOC1 1760558008 CURKZTYUCGKTOS-XUZZJYLKSA-N 490.626 2.499 30 10 JEEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1760558788 AGZLEMGPFTVWSP-UHFFFAOYSA-N 464.533 2.456 30 10 JEEE C[C@H](C#N)CN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCC(=O)N1CCCCC1 1760689625 ARMPTFUMVMSECS-GOSISDBHSA-N 487.630 2.194 30 10 JEEE C[C@@H]1CCC[C@@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1762832422 GOQQKFVADWCVAK-LJFZDNNRSA-N 486.642 2.476 30 10 JEEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@H](C)CN1CCCCC1 1767941473 CTNSTCSLFFJXNC-UXHICEINSA-N 467.622 2.313 30 10 JEEE CCS(=O)(=O)NCCn1c(C2CCC2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1768296683 FIZGSVYRFAHVQM-UHFFFAOYSA-N 478.022 2.337 30 10 JEEE Nc1cccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(C(=O)O)cc2)c1 1862559798 XEHAPIKBKOMEMM-NRFANRHFSA-N 465.506 2.268 30 10 JEEE COCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1862636062 YCOXACNMQMMZNF-FQEVSTJZSA-N 484.417 2.319 30 10 JEEE COc1cc([C@@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2CCN2CCOCC2)ccc1O 1862641882 CWQPFEPIVLANSF-JOCHJYFZSA-N 486.496 2.459 30 10 JEEE C=CCN(CC=C)C(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1cccc2ccccc12 1865730265 ZTAZWPQYRZUTGR-LJQANCHMSA-N 458.518 2.132 30 10 JEEE C=CCOc1ccccc1OCC(=O)Nc1nc(N2CCCCC2)nn1[C@@H]1CCS(=O)(=O)C1 1870049483 XNWDBCIRPZEEGH-QGZVFWFLSA-N 475.571 2.210 30 10 JEEE C=CCn1cc(OCC(=O)NCCc2ccc(OC)cc2)c(=O)cc1CN(CCO)CCCC 1870643437 PMQWEZRQYQDJOU-UHFFFAOYSA-N 471.598 2.375 30 10 JEEE COCCn1c(C(=O)N2CCC(COc3ncccc3C#N)CC2)cc2c(=O)n3ccccc3nc21 1891678648 XQCPJQBGBAKOQH-UHFFFAOYSA-N 486.532 2.493 30 10 JEEE C[C@H](C(=O)N1CCC=C(B2OC(C)(C)C(C)(C)O2)C1)N1CCN(C(=O)OC(C)(C)C)CC1=O 2189207137 TWGBNSSDBCXVNV-MRXNPFEDSA-N 463.384 2.244 30 10 JEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CC(=O)N2CCC=C(B3OC(C)(C)C(C)(C)O3)C2)C1 2189214502 KSYNLOMEKBWROY-QGZVFWFLSA-N 484.424 2.201 30 10 JEEE Cc1c(C(=O)N[C@H]2CC[C@@H]2NC(=O)OCc2ccccc2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2255528781 FBCXKQZLKDZMOP-ROUUACIJSA-N 468.363 2.215 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H]1NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2255752256 HPXUJHYFMXWVNT-RHSMWYFYSA-N 452.382 2.177 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1CCN(C(=O)OCc2ccccc2)CC1 2255815737 SASXEDGMFDYOTP-UHFFFAOYSA-N 468.363 2.250 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1CN2S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2255950626 QUJHUFMGKOZHSR-GJZGRUSLSA-N 470.422 2.430 30 10 JEEE C=C(CS(=O)(=O)N1CCO[C@H](CCNC(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2255956159 ZKIREKVZEWGVDR-MRXNPFEDSA-N 460.402 2.119 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(CNC(=O)C[C@H](O)CNC(=O)OC(C)(C)C)s1 2256622559 IZQHGKDNRLWXKM-AWEZNQCLSA-N 454.398 2.248 30 10 JEEE Cc1cc(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 2267150887 FVFHYXMOKWFOEK-LSDHHAIUSA-N 466.409 2.456 30 10 JEEE CN(C(=O)c1csnc1B1OC(C)(C)C(C)(C)O1)[C@]1(CNC(=O)OC(C)(C)C)CCOC1 2267159882 SZXUQMARQNMACT-NRFANRHFSA-N 467.397 2.198 30 10 JEEE CC(C)(C)OC(=O)NC1(CO)CCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)CC1 2267553108 LGHARHPRHNQWHT-UHFFFAOYSA-N 450.341 2.071 30 10 JEEE Cc1csc(CNC(=O)C2(NC(=O)OC(C)(C)C)CC(O)C2)c1B1OC(C)(C)C(C)(C)O1 2268716303 DQIRVPJJIDNQNX-UHFFFAOYSA-N 466.409 2.390 30 10 JEEE C=C(CN(C)C(=O)[C@@H]1[C@H](OC)[C@@H](OC)CN1C(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2268798657 IXZOALHPVMXLEC-YESZJQIVSA-N 454.373 2.282 30 10 JEEE CC(C)(C#CC(=O)N1C[C@H]2CC[C@@](C(=O)O)(C1)N2C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C 2271723587 KCSPMVRTTZHYLY-CMJOXMDJSA-N 465.547 2.358 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2ccc(F)cc2B2OC(C)(C)C(C)(C)O2)C1 2281791513 ZCLPTNHIEYKSBK-KBXCAEBGSA-N 464.343 2.083 30 10 JEEE Cc1nn(C)c(C(=O)N=[S@@](C)(=O)C[C@@H](C)NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2281985607 KXGARUAWTXPJKJ-AYIMHOFYSA-N 484.428 2.179 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@]2(C)C1 2282045288 ZXDJCACHIJYWLN-NPMXOYFQSA-N 460.384 2.048 30 10 JEEE Cc1cnc(C(=O)N2CCOC[C@@H](NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2282068124 YXUHXBBGVHVRRV-INIZCTEOSA-N 461.368 2.055 30 10 JEEE C[C@@H]1CN(Cc2ccccc2)C[C@H]1CCNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282174040 CSINHJMJFOWQFR-IEBWSBKVSA-N 453.396 2.002 30 10 JEEE Cn1nc(C(=O)N2C[C@@H]3[C@H](CCN3C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2282548341 XBSUVZBAKFFJMY-ZIAGYGMSSA-N 480.802 2.454 30 10 JEEE C[C@@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cn2C)[C@H](C)[C@H]1NC(=O)C(F)(F)F 2282688135 PFABAFSHLUUCOC-IOASZLSFSA-N 457.302 2.242 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](NS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)[C@@H]2C[C@@H]21 2282842561 ACDNHRDJXGXUDJ-DZKIICNBSA-N 499.464 2.260 30 10 JEEE CC1(C)OB(c2ccc(S(=O)(=O)NCC3CCN(C(=O)C(F)(F)F)CC3)cc2)OC1(C)C 2282856699 WREJQHAAAPBSQM-UHFFFAOYSA-N 476.326 2.065 30 10 JEEE CC(C)(C)OC(=O)NC[C@]1(F)C[C@H](CNC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2283066972 CYJRMVKEXKTLPE-CAJLXGCNSA-N 464.347 2.149 30 10 JEEE Cc1ccc(NC(=O)[C@@H](CCC(N)=O)NC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2284054224 ZPJMMIHWKTTZPQ-QGZVFWFLSA-N 461.368 2.392 30 10 JEEE CCn1c(N2C[C@H](C)O[C@H](C)C2)c(C=C2SC(=S)N(CCC(=O)O)C2=O)c(C)c(C#N)c1=O 2314461305 JGIZHDCEFBFVSZ-BETUJISGSA-N 490.607 2.338 30 10 JEEE CCOc1ccc(OCc2nnc(SCC(N)=O)n2N=Cc2ccc3c(c2)OCCO3)cc1 2326655863 WWLUJRGYYGFTPA-UHFFFAOYSA-N 469.523 2.487 30 10 JEEE COCc1nnc(SCC(=O)Nc2nccs2)n1N=Cc1cc(OC)c(O)c(OC)c1 2331569257 UMLPSETYOIHOLW-UHFFFAOYSA-N 464.529 2.217 30 10 JEEE COCCSc1nnc(NC(=O)CSc2n[nH]c(N/N=C/c3cccc(O)c3)n2)s1 20906556 NVPDOZHUTCCCHD-CAOOACKPSA-N 466.574 2.277 30 10 JEEE C#CCn1c(=NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)sc2cccc(OCC)c21 254709755 AZYRNNSNVSMINH-UHFFFAOYSA-N 485.587 2.497 30 10 JEEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC1CCN(C(=O)CC(F)(F)F)CC1 726948593 NUVPBISDUAGHAU-MRXNPFEDSA-N 488.532 2.199 30 10 JEEE CC(C)(C)CC(=O)NCC(=O)[C@H](C#N)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 920110230 CICPJYSKCAGEEK-SFHVURJKSA-N 462.572 2.061 30 10 JEEE C=CCS(=O)(=O)CCNC(=O)c1cccc(S(=O)(=O)N(C)c2cccc(Cl)c2)c1 1127372004 UYTRJVVUBINOEJ-UHFFFAOYSA-N 456.973 2.496 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCCO[C@@H]1C1CCN(S(=O)(=O)c2ccc(C#N)nc2)CC1 1191035360 FZYCFJFRUNEYGQ-RBUKOAKNSA-N 450.561 2.426 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@]1(N(C)C)CCSC1 1286279818 QDSMWQRHLWPZDB-VGOFRKELSA-N 476.672 2.091 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1Cc1ncnn1C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1286388456 PKQTZEKEIFBTMD-INIZCTEOSA-N 489.005 2.015 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1cccc(OC)c1OC)[C@@H]1CCS(=O)(=O)C1 1286389649 OBSPZOXKXZYOLL-LJQANCHMSA-N 481.578 2.341 30 10 JEEE C#CCN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccccc1S(=O)(=O)N(C)C 1286437089 HIDUUQDGOOCHAJ-QHCPKHFHSA-N 475.615 2.077 30 10 JEEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1C[C@@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1286453332 ZFJUEXHAPQQJTM-SSTJLMRISA-N 489.617 2.486 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@@](C)(O)CC)CC1 1286488867 WPSAHSHBCPEEAQ-VWLOTQADSA-N 485.585 2.098 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 1286507984 FDKCRVQHVDLSEX-MSOLQXFVSA-N 497.687 2.382 30 10 JEEE C=C(Br)Cn1c(-c2ccc(C)o2)nnc1N1CCN([C@@H](C)C(=O)NCCCOC)CC1 1286534142 PQUKDHNCCLUIRR-KRWDZBQOSA-N 495.422 2.418 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2c[nH]c3ccccc23)nnc1N(C)CCNS(C)(=O)=O 1286561241 MKLNDBXPXYDBFM-UZLBHIALSA-N 458.588 2.393 30 10 JEEE C=CCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1286707944 LFONPKZGUNHNJV-WZONZLPQSA-N 476.599 2.326 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCNc1ncc(Cl)cc1Cl 1286727582 UVWKXIVDPCXVEJ-HNNXBMFYSA-N 490.417 2.047 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CCC[C@H](CNC(C)=O)C1 1286780512 WZMRSYNXGVSQAI-MRXNPFEDSA-N 475.391 2.362 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCC(Cn2cncn2)CC1 1286792315 UKTDMYFSIQLHHR-UHFFFAOYSA-N 464.574 2.284 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1286823502 VNEVEDRFDFGPEQ-UHFFFAOYSA-N 490.630 2.169 30 10 JEEE CC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)c2cc[nH]n2)CCS1 1293636262 BUOUZOSLUYWSLT-SFHVURJKSA-N 466.571 2.214 30 10 JEEE CCNC(=O)C1(Cn2c(CNC(=O)c3cccs3)nnc2N2CCC(C#N)CC2)CCC1 1296267114 DTEDTZZXIGAPQJ-UHFFFAOYSA-N 455.588 2.316 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1Cc1ccc([C@H](C)O)cc1)[C@H]1CCS(=O)(=O)C1 1300502753 WQWWMSUCCDMJOL-KKSFZXQISA-N 485.635 2.362 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)c1nc(-c2ccccc2)no1 1300539012 WOMKGSWJNIRBAG-MJGOQNOKSA-N 464.551 2.107 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1CN1CCCCC1 1300557475 UMLYTUNACAYYCR-OAQYLSRUSA-N 482.654 2.385 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC2(S(C)(=O)=O)CC2)CC1 1300690997 UZPODAXDSHWNFP-UHFFFAOYSA-N 451.955 2.070 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](N2CCCCC2)C1 1301150802 APBRPIVRZRAKMO-UXHICEINSA-N 480.679 2.278 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC(C)(C)[C@@H]1C 1301151521 NIQFVUCNZMVGQV-IRXDYDNUSA-N 455.625 2.217 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H]2CCCCO2)nnc1N1CCN(CC(=O)NCC)CC1 1301529112 IRADEMUKVXCPJX-QFIPXVFZSA-N 468.602 2.391 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1301586817 OHXCLZCZEXPCJD-RDJZCZTQSA-N 498.531 2.273 30 10 JEEE CCC(CC)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](C(=O)NC)C1)N(C)C 1305702548 BYADISAAPDTIER-SFTDATJTSA-N 453.591 2.134 30 10 JEEE C=CCC1(NC(=O)Nc2ccc(OCC)c(S(=O)(=O)N3CCOCC3)c2)CCOCC1 1310003470 KPGSFWPIGLRICQ-UHFFFAOYSA-N 453.561 2.353 30 10 JEEE COCC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(Cc2cc(C)no2)CC1 1315962990 IDWFZTNRHRLYMH-XMMPIXPASA-N 465.558 2.223 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCC[C@H]1OC)[C@H]1CCS(=O)(=O)C1 1358958918 YJCKQISHQPWRFY-PCCBWWKXSA-N 453.568 2.259 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(COCC(F)(F)F)cc1 1358977934 AEUDHRHZMCHXTO-IBGZPJMESA-N 480.512 2.380 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1CCS(=O)(=O)Cc1ccccc1 1358981172 ZRRMCDVBKGTYEC-UHFFFAOYSA-N 472.574 2.204 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@]2(C)CCCO2)CC1 1359040205 LTIOMQWZJLLDLG-VWLOTQADSA-N 499.015 2.396 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@]2(O)CCC[C@@H]2C)CC1 1359042349 BYKRTLAKZKYIHB-HFJWLAOPSA-N 481.597 2.479 30 10 JEEE C=C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)CN2CCN(CC)CC2)CC1 1359158101 FNZMLBCESACUCZ-HXUWFJFHSA-N 452.607 2.355 30 10 JEEE C=CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1359221547 GGPFHUBCUWJXEH-ACRUOGEOSA-N 460.623 2.101 30 10 JEEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](C(C)C)N1CCOCC1 1359238064 YAQPJUZGVUMVLE-IBGZPJMESA-N 461.636 2.217 30 10 JEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CC2CCOCC2)CC1 1359287598 NQGBCLMKOCUYQK-FQEVSTJZSA-N 476.622 2.321 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC=C(c2ccc(O)cc2)CC1 1359291431 PUTXNJCGKUNLLJ-UHFFFAOYSA-N 459.510 2.227 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 1359296719 RTSLYRINTPBUGB-MRXNPFEDSA-N 484.557 2.327 30 10 JEEE C=CCOc1ccc(Cn2c(N3CCN(C)C(=O)[C@H]3C)nnc2[C@]2(OCC)CCOC2)cc1 1359308646 UVJYKMIKPJUDNR-KOSHJBKYSA-N 455.559 2.210 30 10 JEEE C=CCc1cc(C(=O)N2CCN(S(=O)(=O)NCc3ccccc3)CC2)cc(OC)c1OC 1469868226 BAKUFMWDDMWTJM-UHFFFAOYSA-N 459.568 2.225 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H](C)CNC(=O)OC(C)(C)C 1497085683 GZEIFSGOPTZZFH-DOTOQJQBSA-N 463.583 2.086 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H](C)c1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 1507622678 KKZFQIBXCVEYMA-QUCCMNQESA-N 457.600 2.155 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1c(C)cc(C)cc1C)[C@@H]1CCS(=O)(=O)C1 1507622861 NTZRJPAKIVZHEJ-LJQANCHMSA-N 457.600 2.017 30 10 JEEE C#CCN(CC)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1507687577 QUAWOEMSIRBRLZ-KRWDZBQOSA-N 454.556 2.341 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1Cc1ccccc1CN1CCC(O)CC1 1507711719 YGXGQUFPWRJQKP-QHCPKHFHSA-N 467.614 2.263 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CC(=O)N(C)C1CCCCC1 1507712320 DZJWEFGNKRWZLP-UHFFFAOYSA-N 477.569 2.471 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(CC)n2CC2CN(C(=O)OC(C)(C)C)C2)n1 1507717831 ZPIJWVKLYNTDPD-UHFFFAOYSA-N 457.579 2.190 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC(=O)NCCC)CC1 1507736224 MNHXHOZRBCDVMN-QGZVFWFLSA-N 470.549 2.049 30 10 JEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1nc2c(s1)CCCC2 1507983289 PRNWBHUHQVZHHJ-QGZVFWFLSA-N 480.660 2.201 30 10 JEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)C[C@@H]1c1cccc(OC)c1 1508059272 RWVNQQMCNGRQDB-DBVUQKKJSA-N 461.588 2.393 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC(C)=C(Br)C1 1508071339 IJIUYJZQTZNYIZ-UHFFFAOYSA-N 453.385 2.378 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@H](CN2CCOCC2)C1 1508072072 DWOYNBRHJZRRBM-FCHUYYIVSA-N 482.629 2.496 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N(C)Cc1ccc(OC)c(O)c1 1508084008 FDUPTYSCJVEUGB-UHFFFAOYSA-N 461.526 2.169 30 10 JEEE C=CCOc1ccc(Cn2c(Cc3csc(C)n3)nnc2N2CCN(CC(=O)N(C)C)CC2)cc1 1508106391 WGISXRXEGVRPJR-UHFFFAOYSA-N 495.653 2.457 30 10 JEEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cc(F)cc(F)c1 1508162247 PVCBGLVEVCAPHH-SFHVURJKSA-N 487.598 2.445 30 10 JEEE C[C@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H](c1ccco1)N(C)C 1512389679 GECCJOVIBSIDFT-PXNSSMCTSA-N 463.542 2.292 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H](Cc1ccccc1)OC)[C@@H]1CCS(=O)(=O)C1 1539217033 ZTJZAOXBMAKADI-WOJBJXKFSA-N 453.568 2.158 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CC1(COC)CCC1)[C@H]1CCS(=O)(=O)C1 1539219755 MKVMENMYBLXUTR-FQEVSTJZSA-N 460.575 2.451 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC(F)F)c(OCC)c1 1539266149 MNGMSUCKGRELLA-KRWDZBQOSA-N 478.521 2.301 30 10 JEEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CN(CC(C)C)CCO1 1539299382 ITZFYYZGXKLNEB-RDGATRHJSA-N 457.619 2.138 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2CCn2cc(Br)cn2)CC1 1539453867 SUYXEKYLVAMLFY-UHFFFAOYSA-N 484.402 2.292 30 10 JEEE C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1539683273 LLVMXGDWNDPURN-PMACEKPBSA-N 480.617 2.128 30 10 JEEE CC#CCS(=O)(=O)c1cccc(C(=O)NCCCN2CCN(Cc3ccccc3)CC2)c1 1540512373 WLDWZHFTQQORIH-UHFFFAOYSA-N 453.608 2.421 30 10 JEEE C=CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1540853422 ITASDHQXWPYVIT-UHFFFAOYSA-N 452.559 2.408 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1540901934 VMKUNTNPWATTKM-TZMCWYRMSA-N 475.493 2.241 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1540902581 MJLZTAIIGMETMF-UHFFFAOYSA-N 470.661 2.474 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 1540902719 OVEUFMVNGAMIOZ-QGZVFWFLSA-N 462.572 2.217 30 10 JEEE C[C@@H](N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCS(=O)(=O)C2)CC1)C(F)(F)F 1541897252 CRWFAZIKVULXRW-WBVHZDCISA-N 482.532 2.324 30 10 JEEE CNC(=O)[C@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CCN1S(=O)(=O)c1ccc(OC)cc1 1548369213 MPYUWNVEJIMEAN-LJQANCHMSA-N 482.484 2.211 30 10 JEEE COCC1(Cn2c(CNC(=O)c3cccs3)nnc2N2CC[C@@](F)(C#N)C2)CCOCC1 1555304438 CHVSIOHFNBYVFM-OAQYLSRUSA-N 462.551 2.155 30 10 JEEE C#CCCCNC(=O)CCNS(=O)(=O)c1cc(Br)ccc1Br 1568649056 FFNAJBZLUJRLDA-UHFFFAOYSA-N 452.168 2.410 30 10 JEEE C=CC[C@@H]1CCCN(C(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C\c2ccccc2)C1 1583961519 YULNUMKOMYIWGV-OHMJOTAUSA-N 454.614 2.195 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCCN1CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1588053928 IXEPQUUFFQLGEL-YPAWHYETSA-N 477.675 2.311 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CCOc1ccc2c(c1)OCO2 1588174081 PKNPOIARVKYHKC-UHFFFAOYSA-N 458.478 2.196 30 10 JEEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](c1cccs1)N1CCCC1 1588265501 BTHANNJUPWWMAP-DLBZAZTESA-N 450.634 2.246 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCC[C@@H]2CCCCO2)CC1 1588864918 LVEBCIMGMCBCIT-IBGZPJMESA-N 456.616 2.374 30 10 JEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CC(C)(C)N2CCC[C@@H](C)C2)CC1 1588865362 VQWHZKUHNIJCFS-HXUWFJFHSA-N 452.651 2.405 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)cn3C)n2CC2(O)CCCC2)CC1 1588891185 MUYJEJBXJAKBFI-UHFFFAOYSA-N 489.418 2.317 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2CCN(CCC)CC2)CC1 1588962175 XPTZUYPGLCVXRM-UHFFFAOYSA-N 480.661 2.228 30 10 JEEE C=C1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCCN(CC)S(C)(=O)=O)CC1 1594097613 WKBDUOIPOYILFL-UHFFFAOYSA-N 488.662 2.280 30 10 JEEE C=CCN(c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(N(C)C)CCOCC1)C1CC1 1595034142 WWMFBHCSXPVADH-UHFFFAOYSA-N 488.658 2.461 30 10 JEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CCO)CCOCC(F)(F)F 1595405564 QUHNVADVDAYBTP-HNNXBMFYSA-N 479.500 2.150 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 1595758691 BUTKEUQUCMGWBS-NVXWUHKLSA-N 464.588 2.463 30 10 JEEE C=CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@@H](CC(N)=O)C1 1595870980 BOBULKICYLUDFF-INIZCTEOSA-N 467.599 2.203 30 10 JEEE CN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1618347133 GWCQLDGXLZTPEN-MRXNPFEDSA-N 470.521 2.182 30 10 JEEE C=CCC[C@@H](NC(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1)c1ccc(C(F)(F)F)cc1 1636925557 GLOWLYFZFNDCJA-CQSZACIVSA-N 459.446 2.499 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCC2=CCN(C(=O)OC(C)(C)C)CC2)s1 1639206579 IQOFPNYFLDBFSB-UHFFFAOYSA-N 455.602 2.438 30 10 JEEE C=CCN(C)CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)cc1 1663023887 OBYWZFDDQRYZMO-RTBURBONSA-N 457.662 2.482 30 10 JEEE C=C(C)C[C@@H](CO)NC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N(CC)CC 1673018283 KZEFEUUIGVPNSH-KRWDZBQOSA-N 454.593 2.002 30 10 JEEE C#CCN1CCC[C@H](NC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)C1 1687593387 OYBWLXWVNVTUEN-HNNXBMFYSA-N 459.399 2.107 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H](C)SC)[C@H]1CCS(=O)(=O)C1 1689981751 AQNIZTIUYPWIMI-RDJZCZTQSA-N 464.613 2.341 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CC1(CS(C)(=O)=O)CC1)[C@H]1CCS(=O)(=O)C1 1689984759 UZQIMEVNEQURPG-SFHVURJKSA-N 497.042 2.050 30 10 JEEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCOc1ccc2c(c1)OCO2 1690003055 BNCBFXFSXFATSU-XMMPIXPASA-N 452.511 2.199 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2Cc2nnc(CC)s2)CC1 1690114733 FPUJUJBIQGMLEX-UHFFFAOYSA-N 453.572 2.180 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CCCN2C[C@H](C)O[C@@H](C)C2)CC1 1690139525 QJHJTTBXEOODPE-PMACEKPBSA-N 468.602 2.312 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1CCNC(=O)Cc1cccc(F)c1 1690195586 MITHSNJFYJMQFS-RPBOFIJWSA-N 469.561 2.420 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)Cc1nccs1 1690668681 FCSPWACRTFWBII-UHFFFAOYSA-N 464.555 2.070 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 1690668980 PEYJAKLRPUNFTR-UHFFFAOYSA-N 465.602 2.426 30 10 JEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1690673816 FUYQGYVOPNWFDB-UHFFFAOYSA-N 480.573 2.273 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](C(F)(F)F)C1 1690717923 VMGALYGLYKAWLT-INIZCTEOSA-N 455.462 2.185 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCCN(c2nccs2)CC1 1690720580 MSIJCPMKNIXVTH-UHFFFAOYSA-N 459.601 2.114 30 10 JEEE CCC(CC)c1cc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C#N)CC2)on1 1694288418 BIXDQFGMZVIYSE-HXUWFJFHSA-N 491.618 2.291 30 10 JEEE COC1(CCn2c(-c3cccc(C#N)c3)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)CCC1 1697220326 ATAAQMYXTCSXQA-KRWDZBQOSA-N 458.588 2.246 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1c(F)cccc1OC(F)F)[C@H]1CCS(=O)(=O)C1 1705567022 SJXNMHNTUDWVFT-GJZGRUSLSA-N 484.500 2.198 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCNC(=O)C(C)C)CC1 1705651123 KKBOOJGUUOOANW-UHFFFAOYSA-N 487.004 2.249 30 10 JEEE C=C(Br)Cn1c(-c2noc3c2COCC3)nnc1N(C)CCN1CCOC(C)(C)C1 1705684916 HAYKELYAILCKGR-UHFFFAOYSA-N 481.395 2.461 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@](C)(C(N)=O)C1 1705709176 LUENJZPRXGCELQ-XZOYJPPVSA-N 450.543 2.412 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1CCCC[C@@H]1C 1705716759 UUOYVIRKFHYYMW-VQTJNVASSA-N 468.668 2.278 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1705737606 WAJBDBIDFKLKMX-CVEARBPZSA-N 466.526 2.321 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1)C(C)C 1705867918 XYEBOECXVFWWHC-AABGKKOBSA-N 472.590 2.327 30 10 JEEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1705888041 BICGVCSBCJODKU-UHFFFAOYSA-N 476.603 2.439 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](CN2CCCC[C@H]2C)C1 1705909147 OYUBYWPBXOFTOI-FBPBVXOASA-N 474.650 2.395 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1705932032 IPIFRTAVWPWHJY-KRWDZBQOSA-N 460.604 2.072 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](c2cccc(OC)c2)C1 1705935829 DTDIEVPJOLHALV-FPOVZHCZSA-N 476.599 2.359 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN(c2ccc(F)c(OC)c2)CC1 1705936991 FCBWIFYCZXPKQD-UHFFFAOYSA-N 463.579 2.306 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCCN(c3nc(C)ns3)CC2)nnc1C(C)(C)C 1705939065 RBTYDKBLYZMCRB-UHFFFAOYSA-N 453.638 2.053 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1C[C@]1(O)CCC[C@H]1C 1706859481 APXXKGRQNWSXJT-SAHWJRBASA-N 472.615 2.480 30 10 JEEE CC(C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCCN1CCCO[C@H](C)C1 1708242153 FZAXWYJOBIBANV-HXUWFJFHSA-N 452.607 2.496 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@](C)(O)c1cccc(Cl)c1 1708756594 FGJCRULPTMZNFI-AVRDEDQJSA-N 460.966 2.486 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CCCC3)n2C[C@H]2CCCN2S(C)(=O)=O)c1 1722306504 AZNLLJFMILPRFX-JOCHJYFZSA-N 498.653 2.491 30 10 JEEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCc1ccc2c(c1)OCCO2 1722372745 AKZFNBLERDDJKB-VWLOTQADSA-N 450.539 2.405 30 10 JEEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(C(=O)N2CCCCC2)cc1 1722401783 BDRLHVAILUKZFA-SFHVURJKSA-N 472.615 2.022 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN1CCC[C@@H]1C 1722417767 SEUDJPLEDUBNNT-ZWKOTPCHSA-N 462.595 2.152 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1722423758 NWDXFGWRXMMVJW-UHFFFAOYSA-N 484.608 2.488 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2cnn(Cc3ccccc3)c2)CC1 1722428971 DRYCGZLVORHCIS-UHFFFAOYSA-N 474.613 2.245 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CCNC(=O)c2ccccc2F)CC1 1722444768 NSRUNXQGWLIVKZ-UHFFFAOYSA-N 454.550 2.111 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1722452154 BRZLIWARLBQVTA-UHFFFAOYSA-N 488.639 2.230 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2C)n1CCNS(=O)(=O)Cc1ccon1 1722470413 FTLSZEMXLKXLCK-JOCHJYFZSA-N 454.556 2.353 30 10 JEEE C=C(Br)Cn1c(Cc2ccccn2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1722488159 BJDGUDQJVDFVKQ-KRWDZBQOSA-N 461.364 2.000 30 10 JEEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 1722618859 WAECKBZVGZVOCB-HZPDHXFCSA-N 450.565 2.231 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc(CN2CCCC2=O)n1CC1(C(N)=O)CCOCC1 1722661265 YZAXSFYCPLGHFK-UHFFFAOYSA-N 470.549 2.014 30 10 JEEE C=CCn1c(-c2cc(Br)cn2C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1722682464 LGUNDFAUQSQWNG-UHFFFAOYSA-N 470.379 2.472 30 10 JEEE C=CCOc1ccc(Cn2c(N3CC[C@@H](C(N)=O)C3)nnc2[C@]2(OC(C)C)CCOC2)cc1 1722704309 GPCJCJLOICAURQ-DVECYGJZSA-N 455.559 2.243 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@H](OC)C1 1722724414 WLHAQHDYHBXMJV-HNNXBMFYSA-N 472.409 2.262 30 10 JEEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCOC[C@H]2CCCO2)[C@@H](C)C1 1722781848 KFWFOZDOOCIXNM-PGRDOPGGSA-N 452.559 2.459 30 10 JEEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCOC[C@H]2CCCO2)[C@H](C)C1 1722781850 KFWFOZDOOCIXNM-XMSQKQJNSA-N 452.559 2.459 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCNC(=O)C(C)(C)C 1723770933 CIGLKISBJRSJIZ-HNNXBMFYSA-N 450.547 2.093 30 10 JEEE CCCN1CCC(N(C)c2nnc(COc3ccc(C#N)cc3)n2CCS(C)(=O)=O)CC1 1728135435 HTGNCWNJHSHXBI-UHFFFAOYSA-N 460.604 2.084 30 10 JEEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccc2c(c1)C(=O)NCC2 1740614819 GTCKEGZTTZOWAN-KDURUIRLSA-N 464.570 2.452 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1740616698 FOYNBFMGQHXLDG-AWWSKVOZSA-N 464.632 2.382 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CCOc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1740624420 GTYBVVAFARZZQI-HXUWFJFHSA-N 469.542 2.109 30 10 JEEE C#CCN(CCOC)c1nnc(Cc2cccnc2)n1Cc1ccc(N2CCOCC2)c(F)c1 1740685921 AWMXSBODPCUGQF-UHFFFAOYSA-N 464.545 2.374 30 10 JEEE C#CCSCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)CCN1CCOCC1 1740715764 NEDHWIGAQATUOR-UHFFFAOYSA-N 451.600 2.266 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)OCC)CC1 1740764790 JUXVVAZRJJXKSR-WCIQWLHISA-N 463.579 2.262 30 10 JEEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1Cc2ccoc2CC(C)(C)C1 1740794612 DYSNOCFGCAEHLV-FQEVSTJZSA-N 493.630 2.386 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1740795394 UINXWKBYUDRLOL-HXUWFJFHSA-N 479.647 2.002 30 10 JEEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCN(C(=O)c2c(F)cccc2Cl)CC1 1740962696 LSGZBTTXKVKZTE-UHFFFAOYSA-N 460.941 2.288 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccc(NC(=O)[C@H]3CCCO3)c2)C1 1740970336 JNKBGNAIANIPMC-NHCUHLMSSA-N 482.585 2.363 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1740988877 SBMBYPJZOOUIRK-UHFFFAOYSA-N 488.577 2.011 30 10 JEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N(C)Cc1cc2ccccc2[nH]1 1740993855 FBIUQDRLCPSKMK-UHFFFAOYSA-N 456.572 2.119 30 10 JEEE CCS(=O)(=O)NCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@](C)(C#N)C1 1747441448 HMEXAZLQMYCQRL-KRWDZBQOSA-N 470.397 2.105 30 10 JEEE CNC(=O)CCCN(C)c1nnc(-c2cccc(C#N)c2)n1CCn1cc(Br)cn1 1748242600 GZLYWQFEVROXAD-UHFFFAOYSA-N 471.363 2.438 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1CCNS(=O)(=O)Cc1ccon1 1748651957 UQRFZLNDBWVQIG-AWEZNQCLSA-N 493.387 2.273 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCN1CCCCCC1)[C@H]1CCS(=O)(=O)C1 1748809472 UDKHBALTVBNTSK-QFIPXVFZSA-N 466.611 2.319 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1CCCc1cccc(C)n1)[C@H]1CCS(=O)(=O)C1 1748811171 CTZHBDIOKWREKN-FQEVSTJZSA-N 452.584 2.247 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H](C)N1CCN(CC)CC1 1748950957 RGHSXRZEAWHYSQ-QGZVFWFLSA-N 478.439 2.148 30 10 JEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1749034038 VAUYZQKRYDZIMF-IKGGRYGDSA-N 462.620 2.335 30 10 JEEE C=C(Br)Cn1c(N2CCN3C(=O)CC[C@@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1749112409 HQEUBPSMHGYYLD-BEFAXECRSA-N 454.369 2.038 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)COC)CC1 1749134026 TUEOIAMASMBDGJ-ZJSXRUAMSA-N 453.587 2.454 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 1749653229 ZBIZJHWDHLCFKP-SUMWQHHRSA-N 463.380 2.352 30 10 JEEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1749760979 SYWCJANPNNWCCB-UHFFFAOYSA-N 461.636 2.046 30 10 JEEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cccc(CN2CCO[C@@H](C)C2)c1 1760165061 IGPKOUUVSHIOKH-NBGIEHNGSA-N 453.587 2.269 30 10 JEEE C#CCN(c1nnc([C@@H](C)CC)n1CCCS(=O)(=O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1760181953 FQLNRTNWIXZMME-OALUTQOASA-N 478.640 2.282 30 10 JEEE C#CCN(c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCC)[C@@H]1CCS(=O)(=O)C1 1760186747 ACXINGUMHFNAPN-QGZVFWFLSA-N 468.583 2.102 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC(C)(C)c1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 1760186753 AGEFUXSLVSGNHW-FQEVSTJZSA-N 482.610 2.292 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@](C)(O)c1ccsc1 1760196681 LAINZGUSVFYPFA-HSZRJFAPSA-N 483.619 2.237 30 10 JEEE C#CCSCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@](C)(C(N)=O)C1 1760281682 WBLASSYFOBTSBD-GAJHUEQPSA-N 476.647 2.461 30 10 JEEE C=C(C)COCCn1c(-c2ccc(C)o2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1760353858 HUFDHWUZTQPBTC-UHFFFAOYSA-N 451.531 2.260 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCS[C@@H](C)[C@@H]1C 1760521849 FTTOXUOUMMXCCV-ULQDDVLXSA-N 480.635 2.219 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc4cccnc34)n2CCNS(=O)(=O)CC)C1 1760540182 CONPQEVIGMQINI-SFHVURJKSA-N 456.572 2.214 30 10 JEEE C=CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1760562056 VYDGAGGIHQSFOJ-UHFFFAOYSA-N 457.025 2.431 30 10 JEEE CC1CCN([C@@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@H](C(N)=O)C2)CC1 1762948236 FGRLCMFOFRZUGY-AZUAARDMSA-N 451.575 2.161 30 10 JEEE CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C2CCCCC2)N(C)C)CCO1 1769242675 ICGWFKVZIYGNIK-FCHUYYIVSA-N 465.602 2.278 30 10 JEEE C#CCN(CC#CC)c1nnc(COc2ccc(OC)cc2)n1Cc1ccc(-n2cncn2)nc1 1772516530 CJZYBOFKKNYMLX-UHFFFAOYSA-N 468.521 2.353 30 10 JEEE CC#CC(=O)NC[C@H]1CCCN(C(=O)CCCc2nc(-c3ccc(OC)c(OC)c3)no2)C1 1775939597 SNPHEVSERLHXMP-QGZVFWFLSA-N 454.527 2.455 30 10 JEEE COc1cccc([C@@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2CCCNC=O)c1 1862569887 XDECZMXPCBFJKZ-OAQYLSRUSA-N 454.479 2.427 30 10 JEEE CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccc2c(c1)OCCO2 1862610844 VMADEPRXCBIYTQ-JOCHJYFZSA-N 466.490 2.369 30 10 JEEE CCN(CC)CCNC(=O)[C@H](CSCc1ccccc1)N=C1NS(=O)(=O)c2ccccc21 1869932133 VDLGALAYIPNIGG-FQEVSTJZSA-N 474.652 2.485 30 10 JEEE CCCCCCCOc1cn(CCN2C(=O)CSC2=O)c(CN2CCN(CCO)CC2)cc1=O 1870416932 WAQGLOIJIZYEIB-UHFFFAOYSA-N 494.658 2.003 30 10 JEEE C#CCOc1cn(Cc2ccc(S(N)(=O)=O)cc2)c(CNc2ccc3c[nH]nc3c2)cc1=O 1871008309 QALHORVAMXPBQS-UHFFFAOYSA-N 463.519 2.044 30 10 JEEE CC(=O)NCc1nnc(SCC(=O)N[C@@H](C)c2ccccc2)n1/N=C/c1cccc(O)c1 1874436346 WZRKFMWNIPGPHF-ZWGXDWAISA-N 452.540 2.472 30 10 JEEE CN1CCN(CC#CCOC2CCN(C(=O)c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)CC1 1890223069 KWUKQIYIKIJGKU-UHFFFAOYSA-N 468.476 2.486 30 10 JEEE CN(CC(=O)N1CC[C@H](Oc2cc(C#N)ccn2)C1)c1nc2c(S(C)(=O)=O)cccc2s1 1891511392 JCFRTRVVUIUZQL-HNNXBMFYSA-N 471.564 2.083 30 10 JEEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](NC(=O)OC(C)(C)C)CC[C@@H]1C(=O)O 2068508733 DUZXMMMMINUSGZ-OWCLPIDISA-N 453.536 2.262 30 10 JEEE C#CCNC(=O)CCNC(=O)CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2132088144 LDFLJJLROMWBRN-UHFFFAOYSA-N 456.587 2.192 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1COC[C@@H]1C(=O)NCCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2180969512 XHNOAPMEXKHIOB-OALUTQOASA-N 460.380 2.184 30 10 JEEE CC(C)(C)OC(=O)N[C@@]1(C(=O)Nc2ccc(C#N)cc2Br)CCS(=O)(=O)C1 2181106500 WTPIZSKCYUFLCW-KRWDZBQOSA-N 458.334 2.341 30 10 JEEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](C)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 2222513209 NQDOCXZIQZTXLI-QQMNAOGKSA-N 453.580 2.417 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1CCN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2247881008 PJSMSIBOMWOKAB-ZDUSSCGKSA-N 458.411 2.335 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2247905252 TVMHQANEASONBP-ZDUSSCGKSA-N 458.411 2.335 30 10 JEEE CCc1nn(C)c(C(=O)NC2CN(C(=O)OCc3ccccc3)C2)c1B1OC(C)(C)C(C)(C)O1 2255627683 WXWNBMQEZCHBIK-UHFFFAOYSA-N 468.363 2.033 30 10 JEEE CN(C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)[C@@H]1CC[C@H]1NC(=O)OCc1ccccc1 2255643015 OJWPURBHGKCJOX-RTBURBONSA-N 466.347 2.305 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCCC[C@@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2256618469 QJUKSUWIJTZBQZ-STQMWFEESA-N 452.386 2.281 30 10 JEEE C[C@@H]1CCC[C@]1(NC(=O)OC(C)(C)C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2256676779 ZWMUSMVSORUWCK-MPBGBICISA-N 452.386 2.281 30 10 JEEE Cc1cc(C(=O)N[C@H]2COCC[C@H]2NC(=O)OC(C)(C)C)oc1B1OC(C)(C)C(C)(C)O1 2267127544 JWJGNWOXMGRDJV-CABCVRRESA-N 450.341 2.299 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2csc(B3OC(C)(C)C(C)(C)O3)c2)[C@@H]2COC[C@H]12 2267561119 LRFITZUQVYRCNH-BZUAXINKSA-N 464.393 2.411 30 10 JEEE C[C@H](CN(C)C(=O)OC(C)(C)C)N(C)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2267708932 SYWXDZORXONPSV-CQSZACIVSA-N 489.469 2.459 30 10 JEEE CC(C)(C)OC(=O)N1CCOCC[C@H]1C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2269763251 ZNQYRXMCRVVGEX-AWEZNQCLSA-N 467.397 2.085 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](NC(=O)c2c(F)cccc2B2OC(C)(C)C(C)(C)O2)C1 2281781227 GXBWKSGHGKZUCB-IRXDYDNUSA-N 464.343 2.225 30 10 JEEE CC(C)(C)OC(=O)N1CC2(CCOCCN2C(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)C1 2281805287 WWCKTCZZKCLYLU-UHFFFAOYSA-N 479.408 2.294 30 10 JEEE Cn1cc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)CC23CC3)c(B2OC(C)(C)C(C)(C)O2)n1 2281966117 NGSSHSWDEHAMBO-INIZCTEOSA-N 460.384 2.239 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 2282005459 PTLISVJLPYVPEN-MRXNPFEDSA-N 462.400 2.499 30 10 JEEE C[C@H]1CN(Cc2ccccc2)C[C@H]1CNS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282299103 RDCHBSLOCIIBQA-AZUAARDMSA-N 471.432 2.427 30 10 JEEE CC(C)(C)OC(=O)N[C@@]12C[C@@H]1CN(S(=O)(=O)c1ccc(B3OC(C)(C)C(C)(C)O3)c(F)c1)C2 2282328580 ZOFZQSSBJWSWQS-JLCFBVMHSA-N 482.383 2.413 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@]12C[C@@H](CO1)N(C(=O)OC(C)(C)C)C2 2282595363 SNBMAZOKACRFLG-RCDICMHDSA-N 479.408 2.259 30 10 JEEE CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1CNC(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2282666017 UNYCMMRWYFSMNM-IBGZPJMESA-N 459.396 2.267 30 10 JEEE CC(C)(C)OC(=O)NCC1(O)CN(C(=O)c2cc(F)c(B3OC(C)(C)C(C)(C)O3)cc2Cl)C1 2282987891 KJYMVNUISGXMKN-UHFFFAOYSA-N 484.761 2.490 30 10 JEEE CC(C)(C)OC(=O)N1[C@H](C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)C[C@@H]2OCC[C@H]21 2283963182 IFDXXHWRZBXPQN-PMPSAXMXSA-N 459.352 2.486 30 10 JEEE CC1=C(B2OC(C)(C)C(C)(C)O2)CCN(C(=O)[C@@]2(NC(=O)OC(C)(C)C)CCS(=O)(=O)C2)C1 2284053990 WMYIAPBRKRFSCJ-JOCHJYFZSA-N 484.424 2.249 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)NCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2285184747 RGQVULLTJIJAOJ-QHCPKHFHSA-N 464.343 2.113 30 10 JEEE O=C(CN1C(=O)C(=NO)c2ccccc21)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 2296476323 SSQWTZIXSLZHKV-UHFFFAOYSA-N 477.399 2.487 30 10 JEEE CCN(CC)S(=O)(=O)c1ccc(C(O)=C2C(=O)C(=O)N(CCOC)[C@H]2c2cccc(O)c2)cc1 2296777181 UYYBSOQRALOSNF-NRFANRHFSA-N 488.562 2.491 30 10 JEEE COC(=O)CSc1nnc([C@H]2CC(=O)N(c3ccc(OC)cc3)C2)n1N=Cc1ccc[nH]1 2325881669 JBYICHUEMQCRQG-AWEZNQCLSA-N 454.512 2.283 30 10 JEEE COCCc1nnc(SCC(=O)OCC(C)C)n1N=Cc1cc(OC)c(O)c(OC)c1 2331305537 QAWPGYWCGPZDIX-UHFFFAOYSA-N 452.533 2.363 30 10 JEEE C=C(CS(=O)(=O)N[C@H]1C[C@H]2[C@@H](C1)OCCN2C(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2343103117 CSVQPMBZIXDEAM-YESZJQIVSA-N 472.413 2.260 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)Nc1nc(CCNC(=O)OC(C)(C)C)cs1 2362350850 XJDGQFZGUQKMCN-UHFFFAOYSA-N 477.396 2.495 30 10 JEEE Cn1cnc(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 2362355004 FZSPRLFAFKWLNS-HRCADAONSA-N 460.384 2.095 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 2362355264 ZXLUQCRKDBSWIA-MUJYYYPQSA-N 460.384 2.095 30 10 JEEE C=CCn1c(SCC(=O)Nc2nnc(SCC(N)=O)s2)nnc1-c1ccc([N+](=O)[O-])cc1 59792407 VVOQBEPTHKLMIV-UHFFFAOYSA-N 492.568 2.199 30 10 JEEE CC[C@H](C)NC(=O)CSc1nnc(N/N=C/c2ccc(OC)c(OCn3cccn3)c2)[nH]1 253570161 NGKYLGWKUDAFKY-FVUPAENESA-N 458.548 2.499 30 10 JEEE C#CCNC(=O)c1ccc2oc(N3CCN(S(=O)(=O)c4ccc(C=C)cc4)CC3)nc2c1 253606412 ZUQHMLITRAHNRD-UHFFFAOYSA-N 450.520 2.345 30 10 JEEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(-n3ncc(C(=O)OCC)c3C(F)(F)F)cc2)CC1 512714760 XVVSBABOFIQWRX-UHFFFAOYSA-N 493.486 2.128 30 10 JEEE CSc1nc(O)c(C(=O)NCCCCCC(=O)N2CCN(C(=O)CC(C)C)CC2)cc1C#N 608990148 RNWZAUNVUWNGCD-UHFFFAOYSA-N 475.615 2.388 30 10 JEEE C[C@H](NS(=O)(=O)CCN1C(=O)c2ccccc2C1=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 704372611 KIGRSAGXRFLAPC-INIZCTEOSA-N 484.383 2.262 30 10 JEEE C#CCNC(=O)CN1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]3N2C(=O)c2cccc(Cl)c2)CC1 728530842 VWXBTYGIJHNQHU-BWAGFHJFSA-N 471.001 2.007 30 10 JEEE C#CCN(C(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(OCC)cc2)c1)[C@@H]1CCS(=O)(=O)C1 729330601 GHRZABZBEPMGAM-HXUWFJFHSA-N 490.603 2.457 30 10 JEEE COc1ccc(-n2c(=C(C#N)C(=O)C(C)C)sc(=Cc3cnn4ccccc34)c2=O)cc1F 729672463 PLTPTJDOINZOCN-UHFFFAOYSA-N 462.506 2.423 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)NS(=O)(=O)c3ccc4c(c3)nc(O)n4CCC)cc2C1=O 916190050 KIEMXKCOSSVHML-UHFFFAOYSA-N 468.491 2.053 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)NCCCN3CCN(C(=O)OC(C)(C)C)CC3)cc2C1=O 917254547 YBSDPXAJHIHPQV-UHFFFAOYSA-N 456.543 2.141 30 10 JEEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N(C)C[C@H](c1cccs1)N1CCOCC1 1286335876 MYCCRLYZDTUAAC-LJQANCHMSA-N 456.616 2.499 30 10 JEEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ccc(C[S@@](C)=O)cc1 1286375147 URCWPEPDRYSNRC-MGBGTMOVSA-N 463.611 2.448 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccc(O)cc1)[C@@H]1CCS(=O)(=O)C1 1286381984 INQVGTSZOHQIQT-MRXNPFEDSA-N 490.383 2.416 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1csc([C@H](C)OC)n1)[C@H]1CCS(=O)(=O)C1 1286394477 OUUDTQQVHVZCII-LPHOPBHVSA-N 486.623 2.103 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1CCN(CCN(C)C)CC1 1286414936 GCFLRAYWJRJLRA-ZRZAMGCNSA-N 497.688 2.395 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCCN(C)c2ccccc2)CC1 1286472581 JQMGLOLYMFKTKE-VWLOTQADSA-N 452.603 2.212 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCc2sc(C)nc2C)CC1 1286486093 IACFABOHDZKYAC-UHFFFAOYSA-N 492.609 2.207 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](NC(=O)OC(C)(C)C)C(C)C)CC1 1286494951 WHKPAFCCCKDPCV-WOJBJXKFSA-N 488.633 2.297 30 10 JEEE C=C(Cl)Cn1c(N2CCN(C[C@H]3CN(C(C)C)CCO3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1286635158 KWOXPTMBYVAGDL-URXFXBBRSA-N 497.084 2.302 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](N2CCCC2=O)C1 1286667485 KHLBIUKQMCDVAV-SJORKVTESA-N 452.625 2.082 30 10 JEEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1286774710 DRXXSOBVEOCOCG-UHFFFAOYSA-N 496.616 2.399 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCCN(C(=O)c2cccc(C)c2)CC1 1286788424 WHMWQZQQKOSZIP-OAQYLSRUSA-N 466.586 2.135 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2CC[C@H](N2CCOCC2)C(F)(F)F)C1 1286808989 FSAZEHNGTKBNDP-KURKYZTESA-N 459.513 2.217 30 10 JEEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 1286823298 LQFJYTALLGDFFS-SFHVURJKSA-N 498.719 2.282 30 10 JEEE CC(C)N(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1287896237 GDHWHCMNUOLFRA-UHFFFAOYSA-N 478.645 2.291 30 10 JEEE CC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C[C@@H]2CCCO2)CC1)OC 1292250437 BIMIONUOJKLKCA-IRLDBZIGSA-N 454.575 2.455 30 10 JEEE CCc1nnc(Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CCO[C@H](C#N)C2)s1 1292784215 CCFJESJBFKOWBJ-OAHLLOKOSA-N 472.962 2.052 30 10 JEEE CCn1cnnc1Cn1c(CNC(=O)c2cccs2)nnc1N(C)Cc1ccc(C#N)cc1 1295965788 DFORTYNERFLKGH-UHFFFAOYSA-N 461.555 2.437 30 10 JEEE CCNC(=O)C1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@H](CC(N)=O)C2)CCC1 1296267113 DPSKIOFEFOHSAC-LJQANCHMSA-N 479.585 2.127 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCS(=O)(=O)NC 1300521482 QLOLCWNTIHAXLJ-UHFFFAOYSA-N 457.556 2.435 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(N2CCOCC2)nc1 1300656506 IFYLWHLJSMMAMV-UHFFFAOYSA-N 457.538 2.183 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2Cc2cc(C)nn2C)CC1 1300718619 BUGDSMJSWNIXKO-UHFFFAOYSA-N 477.569 2.018 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2CCS(=O)(=O)CC)CC1 1300722936 NVHRTGYTWLGHFA-UHFFFAOYSA-N 496.593 2.001 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CC2CCC(F)(F)CC2)CC1 1300728935 KOSQXXFKIGDTQK-UHFFFAOYSA-N 462.545 2.192 30 10 JEEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1300743203 IWAGAWLAUUVMFL-VGSWGCGISA-N 476.624 2.099 30 10 JEEE C=C(Br)Cn1c(N2CCO[C@H](Cn3cccn3)C2)nnc1[C@]1(OC(C)C)CCOC1 1300862743 DGGCVJWFLJZOCS-PXNSSMCTSA-N 481.395 2.329 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1NC(=O)CC1(C)C 1301357086 IYBLVNHBZDJUEI-GDBMZVCRSA-N 466.633 2.057 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1301491940 RZSKDQPJLDJDLU-INIZCTEOSA-N 456.547 2.359 30 10 JEEE CCC(CC)(Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C)OC 1305681844 DMGBGZIITNQRMU-SFHVURJKSA-N 481.605 2.096 30 10 JEEE CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1313557073 BWYKGBZECFRXOC-NRFANRHFSA-N 491.600 2.332 30 10 JEEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1Cc1ccc([C@H](C)O)cc1 1314393227 BMWKKTDYJVBKEF-ROUUACIJSA-N 462.558 2.293 30 10 JEEE COC[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)N2CCOCC2)C1 1315900623 AIMYMAWQFLTOKQ-FPOVZHCZSA-N 454.575 2.312 30 10 JEEE C#CCCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN2C(=O)NC[C@H]2C1 1358912776 YLUILXAMOJUNDG-MOPGFXCFSA-N 471.606 2.410 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCN1CCCO[C@H](C)C1 1358976939 XTCLJLAJLOVZPT-OAQYLSRUSA-N 487.608 2.249 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H]1CCCN(C(C)=O)C1 1358976994 ZFVBEYUYXNJVML-FQEVSTJZSA-N 471.565 2.006 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCOc2ccc(Cl)cc2)CC1 1359040554 ZZCCWKPDYRPVIB-UHFFFAOYSA-N 472.977 2.115 30 10 JEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C)nc(C(C)C)n2)CC1 1359055442 DOXHVVCHMUBOOJ-SFHVURJKSA-N 468.631 2.144 30 10 JEEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1359077496 DAXZCTPILWOBHT-LSDHHAIUSA-N 456.385 2.406 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCN2CCCS2(=O)=O)C1 1359313478 MSRYGLDVVFHLJT-MSOLQXFVSA-N 479.578 2.374 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CC[C@](C)(N2CCOCC2)C1 1359334073 RZNQUUMGEOBQBQ-DEOSSOPVSA-N 473.643 2.079 30 10 JEEE CN(CCCC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1)S(=O)(=O)c1ccc(F)cc1 1456272635 DVPDCIPIIOXDJL-OAQYLSRUSA-N 458.559 2.463 30 10 JEEE CCOC(=O)c1c(NC(=O)N2CCNC(=O)[C@H]2c2ccccc2F)c(C#N)cn1CCOC 1466104266 DLJTUNRCYQBOPQ-GOSISDBHSA-N 457.462 2.027 30 10 JEEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)OC(C)(C)C)CC1 1504924763 GVVVSXOXUZIIPU-UHFFFAOYSA-N 485.589 2.022 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCNC(=O)c1cccs1 1507518529 BJFRTADTNNNHRU-OAHLLOKOSA-N 485.639 2.496 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1cccc(NC(=O)[C@@H]2CCCO2)c1)[C@@H]1CCS(=O)(=O)C1 1507623724 WFBLBPOGSYIZKL-RTWAWAEBSA-N 499.637 2.368 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1Cc1cccnc1OCC)[C@H]1CCS(=O)(=O)C1 1507628024 MSYSNLBQBDJMKK-SFHVURJKSA-N 486.985 2.462 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1CC(C)(C)OCC)[C@@H]1CCS(=O)(=O)C1 1507629101 JMHPAOLZOOYHLG-QGZVFWFLSA-N 460.556 2.116 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2CC2(S(C)(=O)=O)CCCC2)CC1 1507731929 FHPYREKDZPZVHV-UHFFFAOYSA-N 475.590 2.109 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[C@](C)(O)c2ccccc2)CC1 1507903106 QZFDIPDAEPVHMW-URXFXBBRSA-N 489.642 2.311 30 10 JEEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1507967902 OHXDGBPDWHEYHR-LJQANCHMSA-N 455.559 2.433 30 10 JEEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)Cc1ccc(C)o1 1508071440 CEBWCPPRHLKOMN-UHFFFAOYSA-N 471.587 2.387 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCC[C@H](n2cncn2)C1 1508075869 XUWQBKCBKDOJMI-IBGZPJMESA-N 480.573 2.476 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1508082349 SGCSPYCXYYWBBG-QGZVFWFLSA-N 457.579 2.279 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCN2CCOC[C@@H]2C)C1 1508110753 UTJZXGCSEGCICP-GHTZIAJQSA-N 489.020 2.364 30 10 JEEE CC[C@H](C)[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1512728970 GAKPZQDWMKVMED-TXBYWVTISA-N 454.531 2.167 30 10 JEEE C=CCOc1ccc(/C=C\C(=O)N2CC(=O)NCC23CN(C(=O)OC(C)(C)C)C3)cc1OC 1534017645 FYTXHBTVRNZRKR-NTMALXAHSA-N 457.527 2.221 30 10 JEEE COC[C@]1(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCN(C(=O)OC(C)(C)C)C1 1538383185 CAEFCYBPRYERAB-CYFREDJKSA-N 456.543 2.443 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3OCC[C@H]3COC)n2Cc2snnc2C)c1 1539045651 HBLAOMFVTVAFHA-UWJYYQICSA-N 481.582 2.267 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cn4ccccc4n3)n2CCC(=O)NC(C)C)c1 1539046015 KGPIAOJAYIVHQT-UHFFFAOYSA-N 498.591 2.488 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCN1CCCCCC1=O 1539257043 DCYLSTQULPTKHQ-UHFFFAOYSA-N 471.565 2.058 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 1539318480 RUCJYUHRCLVIQI-OALUTQOASA-N 466.586 2.482 30 10 JEEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(N2CCCNC2=O)CC1 1539526737 UBBMGMZJUFPTOQ-UHFFFAOYSA-N 479.610 2.479 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2F)n1CCOCCS(C)(=O)=O 1539570079 ZOOGMKGVFHZWQK-OAQYLSRUSA-N 450.536 2.050 30 10 JEEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(CNC(C)=O)CC1 1539611823 FGJARIYAQQWADO-IRXDYDNUSA-N 456.385 2.263 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(F)c(OC)c2)CC1 1539744755 VVAVLZCQGNIWNM-IBGZPJMESA-N 458.538 2.296 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCCCO2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1539750835 DDFFDUYCZCVXLB-NRFANRHFSA-N 488.633 2.053 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc(Cc2ccncc2)n1C[C@]1(O)CCS(=O)(=O)C1 1540132992 CHVGJFBNMUXBFL-HSZRJFAPSA-N 453.568 2.006 30 10 JEEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(CC)CC1CCC1 1540864331 WQQBDXGKNXCENG-UHFFFAOYSA-N 459.620 2.475 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCC[C@@]2(CN(Cc3ccccc3)CCO2)C1 1540904320 MECCGTZTLPJKEB-XMMPIXPASA-N 473.643 2.313 30 10 JEEE CC(C)(C)[S@@](=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1541235985 HQHOLFYCULGGHH-WHUARKNTSA-N 493.655 2.289 30 10 JEEE C[C@@H](Oc1ccccc1F)c1nnc(N2CCO[C@@H](C#N)C2)n1CCN1CCOC(C)(C)C1 1541984887 FILXNBLAXRARTF-MSOLQXFVSA-N 458.538 2.397 30 10 JEEE CC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1)OC 1545710607 DMEUWOHGENAVJZ-NQIIRXRSSA-N 453.591 2.278 30 10 JEEE CCn1cc([C@@H]2CN(c3nnc(COc4ccc(C#N)cc4)n3C[C@H](C)N(C)C)CCO2)cn1 1547609979 HVLFYCGGSVAAMW-AVRDEDQJSA-N 464.574 2.473 30 10 JEEE Cc1cc(C)n(CC(=O)N2CCN(c3ccc(C#N)c(C(F)(F)F)c3)C[C@H]2C(=O)NC2CC2)n1 1548369642 YFUQOGNHKWNEFC-FQEVSTJZSA-N 474.487 2.386 30 10 JEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C)CC(C)(C)CNC(=O)OC(C)(C)C 1587674609 GVIOBYPKRJTZCT-OAHLLOKOSA-N 452.577 2.234 30 10 JEEE C#CCCCn1c([C@@H]2CCCCO2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1587856193 IAYPSJBUILTCPL-KRWDZBQOSA-N 464.617 2.209 30 10 JEEE C#CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CCS(=O)(=O)NC(C)C 1587944837 DMEDADUDOXZORT-UHFFFAOYSA-N 470.393 2.113 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1Cc1ccc(NC(C)=O)nc1)[C@H]1CCS(=O)(=O)C1 1588070360 ZINWRTMNEWWHJJ-QFIPXVFZSA-N 492.605 2.092 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1(NC(=O)OC(C)(C)C)COC1 1588595665 XUIGLRBOARORIP-UHFFFAOYSA-N 486.529 2.233 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CC2(NC(=O)OC(C)(C)C)COC2)CC1 1588899211 MTMWQNBCHHJNOP-UHFFFAOYSA-N 498.584 2.106 30 10 JEEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1589048053 SKSSWTMQMFTOKA-UHFFFAOYSA-N 470.624 2.292 30 10 JEEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1589305123 MTJLWKOUKCZLIG-OCCSQVGLSA-N 457.329 2.180 30 10 JEEE C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccccc2C1 1589404029 GBUALRWUJQDADX-KRWDZBQOSA-N 482.404 2.082 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccc2C)nnc1N1CCN(CC(=O)N(C)C)CC1 1589556451 CISAIVPJYUQNMB-RDGATRHJSA-N 466.630 2.369 30 10 JEEE C=CCCOCCn1c(-c2cc3ccccc3o2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1594793945 VLIURYNGIPBBRV-UHFFFAOYSA-N 480.569 2.457 30 10 JEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1594812046 BRDMXZXRWUSKTR-MOPGFXCFSA-N 497.662 2.466 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2cc(C(F)(F)F)ccn2)C1 1595672429 AWGJXLIGGPNSRI-PBHICJAKSA-N 488.536 2.326 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@H](CC(N)=O)C1 1595773159 RSQZJZJSMTXJFN-OAHLLOKOSA-N 496.431 2.400 30 10 JEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1595884612 ORBKBLXTSSUHDS-XFQAVAEZSA-N 483.660 2.203 30 10 JEEE CO[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1)C(C)C 1618976714 HKRNWUYAARTDBD-LEWJYISDSA-N 452.559 2.315 30 10 JEEE C=CC[C@@H](CO)CNC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(Br)s1 1624242465 CKUKMBMZRLTVNT-CHWSQXEVSA-N 451.408 2.355 30 10 JEEE Cc1ccc(Cn2cccc(NC(=O)[C@@H](C)NS(=O)(=O)c3ccc(C#N)cc3)c2=O)cc1 1637612067 HOBUHMBDZQNSFS-QGZVFWFLSA-N 450.520 2.382 30 10 JEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H](C)c1nc(C(F)(F)F)no1 1638579906 BVJVAWFRYHNYAK-JQWIXIFHSA-N 459.450 2.419 30 10 JEEE C#CCN1CCC[C@@H](NC(=O)c2cccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)c2)C1 1645271047 WYRDRQMEIILQNG-LJQANCHMSA-N 455.536 2.086 30 10 JEEE C=CCNC(=O)c1cccc(S(=O)(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)c1 1669620987 GHJGYNCWBJKVGF-UHFFFAOYSA-N 451.495 2.196 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OCC)CCOC3)n2C[C@H]2CC(F)(F)CO2)c1 1689868343 DDPTZLLXIWJTIF-XXBNENTESA-N 489.523 2.411 30 10 JEEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@H](COC(C)C)C1 1689929750 DASZEBBJFQIJAD-NRFANRHFSA-N 453.591 2.496 30 10 JEEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CCCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1689981850 CGAVJXNYBWOMBR-VQIMIIECSA-N 478.537 2.288 30 10 JEEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CCc1ccccc1F)[C@H]1CCS(=O)(=O)C1 1689982067 HHKSHEALKHFPIP-GBXCKJPGSA-N 490.601 2.327 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H](C)N2CCC[C@@H](C)C2)CC1 1690154068 JANHWBBNMSIQSY-SCPDWHHUSA-N 486.661 2.088 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCNC(=O)[C@@H](C)CCC 1690198590 UYRTVQIKCJGQMN-MHECFPHRSA-N 461.574 2.465 30 10 JEEE C=C(C)CN(CC)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1690269833 JAHHOVVFNGJWNC-RBUKOAKNSA-N 464.636 2.007 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1ccccc1)C[C@@H]1CCCO1 1690288123 JATJLFCIIOMLBP-LEWJYISDSA-N 475.615 2.373 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(C(N)=O)nc1 1690602414 PISNGKSXNCRUPG-UHFFFAOYSA-N 459.554 2.291 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCN(CC(C)C)C(=O)C1 1690681527 SBXQSQBUJUOJJT-UHFFFAOYSA-N 454.575 2.334 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCC2Cc3ccccc3C2)C1 1690686916 VYWYBTFKBFQDNL-LAUBAEHRSA-N 459.616 2.475 30 10 JEEE CC(=O)N1CCN([C@H]2CN(c3nnc(COc4ccc(C#N)cc4)n3CC(C)C)C[C@H]2C)CC1 1690866275 MOJUGFHFBBLSTG-XXBNENTESA-N 465.602 2.374 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCO[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1705569154 CUDKFRLXSLJNCV-SUMDDJOVSA-N 463.629 2.076 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@](C)(O)c1ccco1)[C@H]1CCS(=O)(=O)C1 1705570397 MVUJFOGKNZLOKC-MBSDFSHPSA-N 472.542 2.135 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(Br)cn2C)n1C[C@@H](C)N1CCOCC1 1705591570 FOOMWHPXZQCUTA-QGZVFWFLSA-N 459.392 2.230 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)cc1O[C@@H]1CCOC1 1705598145 CFDYXWHGHNTVQW-FCHUYYIVSA-N 482.606 2.168 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2C[C@]2(C)CN(C)C2=O)CC1 1705633214 LXGUPVPNOGTUGF-DFBJGRDBSA-N 466.586 2.050 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2CCCN2CCCO[C@H](C)C2)CC1 1705643200 WATMOUSXYZHYLR-JOCHJYFZSA-N 482.629 2.122 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CCc2cccc(C(N)=O)c2)CC1 1705647925 LVLPORQHMRICAY-UHFFFAOYSA-N 450.587 2.174 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1)C(C)C 1705867919 XYEBOECXVFWWHC-AQNXPRMDSA-N 472.590 2.327 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCS[C@H](C)[C@@H]1C 1705894932 OIUJULSBPMBTIS-LSDHHAIUSA-N 463.007 2.494 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CC(=O)N(C)C[C@@H]2C)cc1 1705910187 UOSBUBFWJFDEMG-KRWDZBQOSA-N 461.526 2.205 30 10 JEEE CCNC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCC[C@H]2C)CC1 1710332939 BPSFPAJKWLUPFH-CTNGQTDRSA-N 465.602 2.423 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCN(CCC)C2)c1 1722309019 IQYKBKYXUKXZEX-FPOVZHCZSA-N 463.586 2.017 30 10 JEEE C#CCCCn1c(CCOc2ccccc2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1722338399 HPVOJYWOLNQTGU-QPPBQGQZSA-N 464.614 2.302 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCc1cccc(F)c1F)[C@H]1CCS(=O)(=O)C1 1722368741 VQRYNGRPDSHUPF-MSOLQXFVSA-N 464.538 2.320 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc(Cl)cc3F)n2C[C@]2(O)CCOC2)n1 1722427636 MJRGXEDUCASKAP-HSZRJFAPSA-N 488.951 2.372 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H](C)CNC(=O)OC(C)(C)C)CC1 1722448087 RGGNLVVAIYAYED-ICSRJNTNSA-N 488.633 2.299 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(Cc2c(F)cccc2F)n1CC1(O)CCS(=O)(=O)CC1 1722473775 YPOZCLHLCJQQCD-OAQYLSRUSA-N 464.538 2.079 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2CCN(C(=O)OC)CC2)CC1 1722580257 BYWNWEWGMDVBNI-SFHVURJKSA-N 451.593 2.061 30 10 JEEE C=CC[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)NC)CC1)c1ccccc1 1722594383 KNWBOHGUIVGONA-XLIONFOSSA-N 474.631 2.211 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCCC[C@H](C)C1 1722693318 JZIVPUVPJJKFGU-KRWDZBQOSA-N 460.604 2.124 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](c2ccc(Br)cc2)C1 1722698005 AYGRWCLILLAVQB-AEFFLSMTSA-N 476.375 2.425 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Br)c2)nnc1N1CCN2C(=O)CC[C@H]2C1 1722724042 LNHZGLMSCJUAFJ-KRWDZBQOSA-N 494.415 2.119 30 10 JEEE C=CCOc1ccc(Cn2c(N3CCN(C(=O)NCC)CC3)nnc2[C@]2(OCC)CCOC2)cc1 1722733630 ZHTNDRWACSTPLP-VWLOTQADSA-N 484.601 2.395 30 10 JEEE CC(C)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(S(C)(=O)=O)CC1)N1CCOCC1 1723109214 DBDCTTLGYYAWSE-JOCHJYFZSA-N 486.642 2.187 30 10 JEEE COCCC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](c3cccc(C#N)c3)C2)CC1 1730639985 AFEYOACJUCEZDO-YLJYHZDGSA-N 488.614 2.155 30 10 JEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1740581606 BWMGFEQBQYIWRZ-LJQANCHMSA-N 464.613 2.166 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1740617101 MAFLCCKWQXDMMV-FUHWJXTLSA-N 464.563 2.345 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccccc1OC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1740621989 RNDLRINJBCKUKE-KRWDZBQOSA-N 494.499 2.252 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccccc3Br)n2Cc2cnn(CCOC)c2)CC1 1740694105 YPGXTQNACSEBDW-UHFFFAOYSA-N 484.402 2.354 30 10 JEEE C=C(C)COCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(O)(C(F)(F)F)CC1 1740790607 UHFNDTLEUFHIRQ-UHFFFAOYSA-N 478.479 2.407 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1740953719 PDYPSYZSZFDSEX-XDHUDOTRSA-N 468.558 2.359 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1740987647 WLZRVMAPXQXZJZ-QAPCUYQASA-N 454.980 2.439 30 10 JEEE CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCOC[C@H]2CCOC2)[C@@H](C)C1 1741046212 ZBOFHAZAKGOQHA-GHTZIAJQSA-N 452.559 2.317 30 10 JEEE CC(C)(C)c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CCN1CCCS1(=O)=O 1741174906 DCXSGPHFCDDHRH-IBGZPJMESA-N 458.588 2.061 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccc(C)cc1OCC1CC1)[C@@H]1CCS(=O)(=O)C1 1748801718 DXMXNQZBFCLGEV-OAQYLSRUSA-N 499.637 2.189 30 10 JEEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1ccccc1N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1748805274 PWYZAHURCQHEBX-FPOVZHCZSA-N 471.627 2.303 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1cnn(CC(C)C)c1C)[C@H]1CCS(=O)(=O)C1 1748812338 SUICXZLUJLHACG-IBGZPJMESA-N 455.588 2.109 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCCN(C)C2CCCCC2)CC1 1748978887 RTNZPSPHIZBTGO-RUZDIDTESA-N 458.651 2.340 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1749158337 HJLQANXLWZKHPA-ZWKOTPCHSA-N 474.635 2.083 30 10 JEEE C=C(C)COCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1749219465 ILFVYZSOYJJIGV-LJQANCHMSA-N 465.562 2.009 30 10 JEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)NC2CCCCC2)CC1 1749226714 UKOHLKQJEPXRMC-HXUWFJFHSA-N 458.607 2.487 30 10 JEEE C=CCCCCn1c(Cc2ccsc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1749404169 UOCSIFOJLJTPLF-UHFFFAOYSA-N 458.632 2.268 30 10 JEEE C=CCCOCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCN(C(=O)NC)CC1 1749455556 YVLNZZILZMYJQR-UHFFFAOYSA-N 494.600 2.119 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ncc(F)cn2)CC1 1749687491 UKWRSHNDZPKBCK-UHFFFAOYSA-N 480.548 2.285 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCCN(C(=O)C2CC2)CC1 1749736123 DMJRROHGHSWLSR-UHFFFAOYSA-N 475.590 2.058 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCN(CC(F)(F)F)CC1 1749737024 WLKILVOKDLNDHP-UHFFFAOYSA-N 493.502 2.432 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCN1CCC(C)CC1 1760101833 BQCSVKONUDSBLZ-LJQANCHMSA-N 458.632 2.385 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCO[C@H]1CCOC1 1760117483 PIYKURLCRKQXDK-FHWLQOOXSA-N 463.579 2.240 30 10 JEEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1760148003 KUBUNFXABPRDFD-FQEVSTJZSA-N 474.363 2.264 30 10 JEEE C#CCN(c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCC(=O)NC)[C@H]1CCS(=O)(=O)C1 1760183142 MWTPNGFQROPLMS-IBGZPJMESA-N 457.600 2.005 30 10 JEEE C#CCN(c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@]1(C)CN(C)C1=O)[C@@H]1CCS(=O)(=O)C1 1760184934 ZLBWPACUHUZPMT-CJFMBICVSA-N 483.638 2.348 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1CCCc1nnc(C)s1)[C@H]1CCS(=O)(=O)C1 1760189319 HLNLFSSTGWZVQF-SFHVURJKSA-N 488.614 2.427 30 10 JEEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1760280438 KJOGGIDEMODBEJ-HXUWFJFHSA-N 460.648 2.021 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(N2CCCCC2)CC1 1760316297 PJQYHVBXJWQQRX-DYXWJJEUSA-N 480.679 2.324 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCN(CCOC)[C@@H](C)C2)nnc1[C@]1(OCC)CCOC1 1760327450 HFLRSSQPRKXLRG-XARGGIHNSA-N 463.623 2.068 30 10 JEEE C=CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1760423339 WNQKJKVKDYSTSQ-SFHVURJKSA-N 452.602 2.328 30 10 JEEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1760427821 JFFGOFWCLDSAAU-GOSISDBHSA-N 498.650 2.024 30 10 JEEE C=CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H]1CCCN(C(C)=O)C1 1760505391 SSIXYRCDRAFGES-HXUWFJFHSA-N 451.575 2.414 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N(C[C@@H]1CCOC1)C1CC1 1760516166 WQNWCMYBVWTHPQ-AWEZNQCLSA-N 463.380 2.354 30 10 JEEE C=CCNC(=O)Cn1c(N2CCN(Cc3c(CC)nn(C)c3Cl)CC2)nnc1C(C)(C)C 1760528651 JBNGNTVXKKMUSD-UHFFFAOYSA-N 463.030 2.149 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCN(c2nc(CC)ns2)CC1 1760549020 VBBQPRBZSDWTJG-OAHLLOKOSA-N 453.638 2.133 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@@H](COC)O[C@H](C)C1 1760557948 BDKSIVYORCVLHK-FCGDIQPGSA-N 470.636 2.038 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)C1 1760777894 CZTAARLGKDRIKI-GSHUGGBRSA-N 496.609 2.269 30 10 JEEE Cc1ccc(C)c(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H](N2CCOCC2)C(F)(F)F)c1 1761728819 DTAFMNIGTDNVRT-UYAOXDASSA-N 494.518 2.466 30 10 JEEE CC[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1)OC 1762365982 DAYSYZZWPOFQHO-MSOLQXFVSA-N 493.033 2.457 30 10 JEEE COCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1769184351 BKXLWBVTVFOHOQ-OAQYLSRUSA-N 486.642 2.047 30 10 JEEE COc1ccc(-n2nnc(C#N)c2NC(=O)c2ccc3c(c2)C(=O)N(C(C)C)C3=O)cc1OC 1870142841 MQHOSUDQSRSJLS-UHFFFAOYSA-N 460.450 2.413 30 10 JEEE C#CCOc1cn(Cc2ccc(S(N)(=O)=O)cc2)c(CNc2ccc(OC)cc2)cc1=O 1871008152 JODNYOXZDHKXRT-UHFFFAOYSA-N 453.520 2.177 30 10 JEEE C=CCN(CC=C)c1nc(=NCCCN2CCOCC2)[nH]c(=Nc2ccc(CC)c([N+](=O)[O-])c2)[nH]1 1871619193 BPPGRGATIUBKQC-UHFFFAOYSA-N 482.589 2.242 30 10 JEEE Cc1ccccc1N1C[C@H](C(=O)N2CCC(OCC#CCN3CCN(C(C)C)CC3)CC2)CC1=O 1889516840 LAETTZMTOYFGMY-XMMPIXPASA-N 480.653 2.385 30 10 JEEE CC(C)(C)OC(=O)NC[C@]1(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CCCOC1 2180984031 SSFWKQRQDCOPAU-JOCHJYFZSA-N 462.356 2.036 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 2255648013 HKCJVVUZYXGANN-GOSISDBHSA-N 468.363 2.250 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H]1CNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2255794854 CGABMJNILOPCPZ-OAHLLOKOSA-N 472.438 2.476 30 10 JEEE CO[C@@H]1C[C@@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)s2)N(C(=O)OC(C)(C)C)C1 2256625020 QVGAJWXBBWMGHG-OLZOCXBDSA-N 453.370 2.405 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1COC[C@H]1NC(=O)c1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2266974127 NYXUEAPDIHQTOY-SJORKVTESA-N 450.316 2.147 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1COCC[C@H]1NC(=O)OC(C)(C)C 2267123083 ATDSRJFVHUKCKM-ZIAGYGMSSA-N 467.397 2.163 30 10 JEEE COCC1(NC(=O)OC(C)(C)C)CC(NC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)C1 2267163972 LOGUHBJNDTZZFH-UHFFFAOYSA-N 467.397 2.244 30 10 JEEE COC(=O)[C@@H](CCNC(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2267479286 JTEJNAWBXZHHFP-OAHLLOKOSA-N 468.381 2.234 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@@H](CNC(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267488168 GMEUUKMNHLECLI-HNNXBMFYSA-N 450.341 2.192 30 10 JEEE CON(CCNS(=O)(=O)c1ccc(C)cc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2267702084 ALPDAWRNNAUZIE-UHFFFAOYSA-N 470.397 2.371 30 10 JEEE CC(C)(C)OC(=O)N1CC2(CCC2)C[C@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2268601874 DFBVNQFNYFQFPI-ZDUSSCGKSA-N 464.397 2.377 30 10 JEEE COC[C@@](C)(CC(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1)NC(=O)OC(C)(C)C 2268671895 OMTSEXGDSNUWJK-OAQYLSRUSA-N 469.413 2.378 30 10 JEEE Cc1cc(S(=O)(=O)N[C@@H](COCc2ccccc2)C(=O)O)sc1B1OC(C)(C)C(C)(C)O1 2269026655 ORBVJWBDMZTLAJ-INIZCTEOSA-N 481.401 2.304 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(C2CCC2)C2CN(C(=O)OC(C)(C)C)C2)n1 2282032880 LPHPSWHQEZBREG-UHFFFAOYSA-N 460.384 2.333 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H](CNC(=O)OC(C)(C)C)CC2(C)C)n1 2282048054 GYOZPBWJPLQUFN-HNNXBMFYSA-N 462.400 2.485 30 10 JEEE CN(CC1CCN(C(=O)OC(C)(C)C)CC1)C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282063392 LASMEXVQJHOZIB-UHFFFAOYSA-N 462.400 2.438 30 10 JEEE CN([C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2282343179 OOYJMLLRSDCSGT-BWTSREIZSA-N 478.420 2.472 30 10 JEEE C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1N(C)C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2283059163 CGSPBNUOKNBPNV-HOTGVXAUSA-N 460.384 2.493 30 10 JEEE CC(C)(C)OC(=O)N1[C@H](C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C[C@H]2OCC[C@H]21 2283966875 XSMKAVPSEAHQAG-IXDOHACOSA-N 459.352 2.486 30 10 JEEE CO[C@@H](CNC(=O)OC(C)(C)C)C(=O)N1CCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C1 2284069808 XNFHNYGERGCEMV-IBGZPJMESA-N 460.380 2.410 30 10 JEEE CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N1CCc2cc(B3OC(C)(C)C(C)(C)O3)ccc2C1 2284138952 HASDEMANWWCKBC-LJQANCHMSA-N 460.380 2.146 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H](Oc1ncc(B2OC(C)(C)C(C)(C)O2)cc1C(F)(F)F)C(N)=O 2288749757 ZTAQRDDWOYPQAT-CYBMUJFWSA-N 475.273 2.157 30 10 JEEE COc1cccc(C=CC(=O)[C@@H]2CNCC[C@H]2NC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)c1 2318584524 GQCZNELOYRHJGF-NPFVIJTESA-N 461.518 2.057 30 10 JEEE COc1cc(C=NNc2nc3c(c(=O)n(Cc4ccc(Cl)cc4)c(=O)n3C)n2C)ccc1O 2328610669 CSEOJCILLQKWJI-UHFFFAOYSA-N 468.901 2.296 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1C[C@@H]2[C@H]1CCN2C(=O)OC(C)(C)C 2359268100 UNXQPVNNDYTISS-BHYGNILZSA-N 460.384 2.330 30 10 JEEE Cn1cnc(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 2362351832 KHLHUPREESQUOF-PMPSAXMXSA-N 460.384 2.095 30 10 JEEE C/N=C1/S/C(=C/c2cc(I)c(OCC(=O)O)c(OC)c2)C(=O)N1C 101636111 KXRRUVCILVLZMP-IOIVTLPZSA-N 462.265 2.295 30 10 JEEE C#CCNC(=O)c1ccc2oc(N3CCN(S(=O)(=O)c4cc(C)ccc4C)CC3)nc2c1 247864883 IDPAPKWCHHRYRF-UHFFFAOYSA-N 452.536 2.319 30 10 JEEE Cc1nn(-c2ccccc2)c(N2CCOCC2)c1/C=N/Nc1nnc(S[C@@H](C)C(=O)N(C)C)[nH]1 253566190 IQKRYVHETUCDLJ-YQCVNYCESA-N 483.602 2.150 30 10 JEEE CCOC(=O)C1=C(N)n2c(sc(=Cc3ccccc3F)c2=O)=C(C#N)[C@@H]1c1ccccc1F 254840808 HZBOFAZNFHDGCR-IBGZPJMESA-N 465.481 2.179 30 10 JEEE COc1ccc(N2NOC(=O)/C2=C/C(=NC(=O)c2ccccc2)C(=O)NCc2cccnc2)cc1 585673812 UTAZAUYQRLQJOB-VAHFVWGWSA-N 471.473 2.355 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)[C@H](C)[S@](=O)CC(=O)NCCc3ccccc3)cc21 586312940 ITUGAUIJXXPEMW-UJQZNKFNSA-N 454.548 2.277 30 10 JEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(-c3ccccc3)o2)c(=O)n1C[C@H]1CCCO1 603990167 PBCGXUWIUAFXQK-LJQANCHMSA-N 461.543 2.154 30 10 JEEE C#CCNS(=O)(=O)c1ccc(C(=O)N(C)Cc2cc3c(cc2OC(F)F)OCO3)cc1 1147571583 DNPAFNCAVNJCIL-UHFFFAOYSA-N 452.435 2.200 30 10 JEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)CCNC(=O)OC(C)(C)C 1161085755 BTFTXZSMZPURKV-INIZCTEOSA-N 452.577 2.123 30 10 JEEE N#Cc1ccc(Cl)c(S(=O)(=O)N2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)c1 1185300116 HZQSXGZCTLFWEN-UHFFFAOYSA-N 457.936 2.482 30 10 JEEE CN1CCN(S(=O)(=O)c2ccccc2CNC2CCN(c3ccc(C#N)cc3)CC2)CC1 1200411739 IFXUKNOCTGUMEU-UHFFFAOYSA-N 453.612 2.253 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CCO[C@@H]1CCCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1286384838 UANKYQFZRLQCTN-WHLIWEHUSA-N 494.658 2.152 30 10 JEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1C[C@@H]1CCN(CC)C1)[C@@H]1CCS(=O)(=O)C1 1286390378 AMTWJKUWLYSWPA-FGZHOGPDSA-N 485.654 2.040 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1286422382 ZCIKJRDLBJFPLJ-GOTSBHOMSA-N 476.606 2.484 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1csc(COC)n1 1286461976 AWRYUYYNQSKUIN-UHFFFAOYSA-N 465.539 2.331 30 10 JEEE C#CCSCCn1c(CCOc2ccccc2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1286508622 NTMYLUTXPLBERW-DEOSSOPVSA-N 482.610 2.081 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCCN(CC)C(=O)C1 1286552421 MIOMMBMFBBYQPS-UGKGYDQZSA-N 487.626 2.388 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1286553439 QCKSMTZBPKOQOQ-SSTJLMRISA-N 450.580 2.368 30 10 JEEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(=O)NCc2ccccc2)CC1 1286633899 MWAFGNWGEVZTNS-UNMCSNQZSA-N 489.020 2.193 30 10 JEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccccc2F)C[C@@H]1C 1286699674 HAEREVBCPCYTKL-GHTZIAJQSA-N 492.621 2.431 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2Cc2cnnn2C)C1 1286808180 AWHZQOVJEXCDHW-IBGZPJMESA-N 472.594 2.351 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCN(c2ncccc2F)CC1 1286815827 ATAGVIMBYLNYKC-UHFFFAOYSA-N 456.547 2.407 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)CCOC)c1 1300332450 GIEODDPRLJFJAP-IBGZPJMESA-N 452.559 2.348 30 10 JEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2nc(C)c(C)s2)CC1 1300339983 UIAAGOWNHDBZEX-MRXNPFEDSA-N 465.649 2.092 30 10 JEEE C#CCCCCn1c(-c2cccc(C)n2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1300358038 GWJKCDJXQZKHIE-UHFFFAOYSA-N 477.613 2.392 30 10 JEEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1300373154 ZYCPBABOGAONMZ-UHFFFAOYSA-N 484.626 2.023 30 10 JEEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2Cc2ccnc(OCC(F)(F)F)c2)CC1 1300703729 QVDYAMMULWRURK-UHFFFAOYSA-N 471.487 2.404 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc4ccccc4o3)n2CCS(=O)(=O)CC)CC1 1300718413 NBMKRMCGGSBYJW-UHFFFAOYSA-N 469.567 2.092 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(OC(C)(C)C)nc2)CC1 1300727410 WYKUEBUTGRKVKE-FQEVSTJZSA-N 466.586 2.368 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2CCO[C@@H]2C(=C)C)CC1 1300728708 DNCHNCAFBKRAQT-JTHBVZDNSA-N 465.602 2.087 30 10 JEEE C#CCSCCn1c(Cn2ccc3ccccc32)nnc1N1CCC(CNS(C)(=O)=O)CC1 1300768198 MKHMNGNUDMTRIW-UHFFFAOYSA-N 486.667 2.413 30 10 JEEE C=C(C)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1300939025 LSERVYKVPNYTGE-KRWDZBQOSA-N 466.546 2.460 30 10 JEEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(C)n2)n1C[C@@]1(O)CCS(=O)(=O)C1 1301362627 HCRLKEHIYBOYQS-NRFANRHFSA-N 459.597 2.452 30 10 JEEE CC(=O)N1CCN([C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCOC(C)C)C[C@@H]2C)CC1 1301763814 HWLVKYIMSYYQDM-CVDCTZTESA-N 465.602 2.231 30 10 JEEE C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1 1310120208 PFBOGGJZMWXFIV-AVRDEDQJSA-N 478.615 2.410 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC1(O)CC1)[C@@H]1CCS(=O)(=O)C1 1358956630 IRQMJONDOVYJQD-DOTOQJQBSA-N 464.975 2.223 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@](C)(O)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 1358961065 QYUHAKZVUYAKJJ-NZQKXSOJSA-N 457.600 2.298 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@@H](C)N(C)C1CC1)[C@H]1CCS(=O)(=O)C1 1358967080 CYHHLYOEQQANBO-MJGOQNOKSA-N 475.590 2.106 30 10 JEEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC(=O)NC1CCCCC1 1358981226 BGSDUYNHQCMRIP-UHFFFAOYSA-N 487.652 2.165 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@](C)(O)C2CC2)CC1 1359045737 RIFYOLDKTYOWDR-XMMPIXPASA-N 457.525 2.274 30 10 JEEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1359183659 QRTQBVYWKZMAGE-MRXNPFEDSA-N 466.546 2.000 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCCOC2)n1CCC[C@@H]1NC(=O)NC1=O 1359257094 YWPWGNKMZRARKH-UXHICEINSA-N 463.542 2.225 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)CCc1ccc(Cl)cc1 1359332434 XSCXELZCIGDSGA-KRWDZBQOSA-N 451.980 2.162 30 10 JEEE C=CCNS(=O)(=O)c1cccc(C(=O)N2C[C@@H](OCC)[C@H](CNC(=O)OC(C)(C)C)C2)c1 1452876229 HLWLUHGOQJKGMD-IEBWSBKVSA-N 467.588 2.153 30 10 JEEE C=C[C@@H](O)C(=O)Nc1ccc(N2CCOCC2)c(S(=O)(=O)Nc2ccccc2Cl)c1 1463602444 CBUSZBSCOUNPGX-GOSISDBHSA-N 451.932 2.463 30 10 JEEE C#CCNS(=O)(=O)N1CCN(C(=O)NCC2(c3c(Cl)cccc3Cl)CCC2)CC1 1469992274 ULYKIZDFTURORR-UHFFFAOYSA-N 459.399 2.210 30 10 JEEE N#Cc1ccc(CN2CCCN(S(=O)(=O)CCNC(=O)OCc3ccccc3)CC2)cc1 1474799994 BPCAFYJWPJCTLI-UHFFFAOYSA-N 456.568 2.322 30 10 JEEE C#CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC(CC(=O)NC)CC1 1507582771 KFQHBJRJCSAFDO-UHFFFAOYSA-N 461.570 2.441 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1CC1(O)CCCCCC1)[C@@H]1CCS(=O)(=O)C1 1507633975 HMMSAHSCFIYBEF-LJQANCHMSA-N 477.656 2.346 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CCS(=O)(=O)NC 1507642197 HQLUMPLNKBNPJZ-QGZVFWFLSA-N 463.991 2.310 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2CC2CCN(C(=O)OC)CC2)CC1 1507739682 UAMABQKYXSVATQ-UHFFFAOYSA-N 456.591 2.380 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CCN2CCC[C@@H]2C)CC1 1507739920 LUTWPXUKSZFVKF-KRWDZBQOSA-N 455.632 2.084 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1507803368 BIDFDQILAOWKNN-RCZVLFRGSA-N 498.676 2.111 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC2(CCCCCC2)C1 1507830730 VFNMWEVFBPHTFH-SFHVURJKSA-N 453.609 2.117 30 10 JEEE C=CC[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](COC)C1)c1ccccc1 1507928111 HVJSYIURSOKEGK-NJDAHSKKSA-N 460.600 2.392 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1508072114 DYBVEPJSLVCDSZ-JTDSTZFVSA-N 472.977 2.431 30 10 JEEE C=CCSCCn1c(Cc2cccnc2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1508161562 GABRJLODGAURLZ-KNQAVFIVSA-N 469.659 2.172 30 10 JEEE CCCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1515100319 ACVBTXAEYQNTBV-SFHVURJKSA-N 459.558 2.157 30 10 JEEE COC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCOC(C)(C)C2)C1 1517635825 BXPBVRRBTJWEDY-HXUWFJFHSA-N 452.559 2.317 30 10 JEEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](CCCNC(=O)OC(C)(C)C)c2ccccc2)C1=O 1527275794 ZFSSKSLYOSNXEV-QGZVFWFLSA-N 458.515 2.126 30 10 JEEE C#CCCCn1c(N2CCN(C[C@H](O)c3ccccc3)CC2)nnc1[C@@]1(OCC)CCOC1 1539139256 CFDFMDXGQGTSFF-WIOPSUGQSA-N 453.587 2.199 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1CC(C)(C)SC)[C@@H]1CCS(=O)(=O)C1 1539212649 WVRJVCZRCVTFDF-MRXNPFEDSA-N 462.597 2.442 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1CCc1ccc(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1539215901 LFQHBCOXCFQUSN-HXUWFJFHSA-N 481.578 2.227 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1C[C@H](c1ccc(F)cc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1539224658 IVBQXTFBLIBXBR-LEWJYISDSA-N 459.591 2.299 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2c(Cl)cccc2OC)CC1 1539428058 MMEZUKAZNLHTOM-UHFFFAOYSA-N 465.945 2.391 30 10 JEEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2C[C@@H](C)CN2CCN(CC)CC2)CC1 1539454493 QFCDZLCASHFVJD-DEOSSOPVSA-N 463.674 2.092 30 10 JEEE C=C(C)COCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1539736454 YLMUDFGUUOJRJC-JOCHJYFZSA-N 463.586 2.152 30 10 JEEE C=C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC1 1539830402 UZYRHKHQDSPBEB-MRXNPFEDSA-N 465.480 2.345 30 10 JEEE N#Cc1ccc(N2C[C@H](C(=O)N(Cc3ccccc3F)[C@H]3CCS(=O)(=O)C3)CC2=O)cc1 1540022485 DKBJAWIUSGKBBX-QUCCMNQESA-N 455.511 2.266 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1CC1(O)CCOCC1 1540119609 GKFUVOXYFFVEDO-UHFFFAOYSA-N 450.543 2.120 30 10 JEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CCN2CCCC[C@@H]2C)CC1 1540858188 LNUJTUDGUKBEOK-PZJWPPBQSA-N 480.679 2.278 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCCO[C@H](C)C1 1540870471 OEJZINXADVQTBU-MSOLQXFVSA-N 462.595 2.310 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccccc2OCC)CC1 1540903787 HXNYVTWDSQUCMB-LJQANCHMSA-N 475.615 2.108 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1 1540905775 ZIZFNXDEDDSUIT-QHCPKHFHSA-N 471.558 2.102 30 10 JEEE CC(=O)N(C)C1CCN(c2nnc(CCc3ccccc3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1540933267 LCJOAMSKGPBFOB-OCOZRVBESA-N 491.596 2.037 30 10 JEEE CC(C)(C)[S@](=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1541235982 HQHOLFYCULGGHH-AYLZSAKASA-N 493.655 2.289 30 10 JEEE CCn1cccc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@H](NC(C)=O)C2)c1=O 1547627322 BKILKZQAUMRAHT-NRFANRHFSA-N 475.553 2.064 30 10 JEEE N#C[C@@H]1CN(c2nnc(COc3ccc(Br)cc3)n2CCCn2ccnn2)CCO1 1555993919 CWQWZBZIZNOXCQ-QGZVFWFLSA-N 473.335 2.030 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2CC(=O)NCc2ccco2)c1 1587694015 ZMFRUGDPGZHLRL-IBGZPJMESA-N 476.537 2.138 30 10 JEEE C#CCCCn1c(-c2noc3c2COCC3)nnc1N(C)CCNS(=O)(=O)c1ccc(C)cc1 1587847993 WOEXKERGMCGJEX-UHFFFAOYSA-N 484.582 2.142 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCOc1ccc(Cl)cn1 1588109940 SMOLMHNKJRGYSS-UHFFFAOYSA-N 459.901 2.121 30 10 JEEE C=C(Cl)C[C@H](NC(=O)[C@H]1CC(=O)N(c2cc(OC)c(OC)c(OC)c2)C1)C(=O)OCC 1588121542 GIBZSDXVEXIUKT-ZFWWWQNUSA-N 454.907 2.256 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCC(=O)N(C)C 1588134213 UGDDQGPIYUVMNR-IBGZPJMESA-N 456.591 2.334 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CC(F)(F)CO1 1588138298 BZJKSQGSJWCZIR-IRXDYDNUSA-N 465.501 2.084 30 10 JEEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1588272260 XBJMHFBKJOUUQF-NTKDMRAZSA-N 454.575 2.058 30 10 JEEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCC(=O)N1CCCCC1 1588388231 ZBMHIDRCLQSZPD-UHFFFAOYSA-N 450.591 2.314 30 10 JEEE C#CCN(CCOC)c1nnc(COc2ccc(Cl)cc2Cl)n1Cc1nncn1C 1588698091 ZFNGSIIXHBLISX-UHFFFAOYSA-N 450.330 2.427 30 10 JEEE C#CCC1(O)CCN(C(=O)C2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)CC1 1588764407 AKTRJBBPKUZQLL-UHFFFAOYSA-N 458.502 2.483 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2ccc(Cl)c(OC)c2)CC1 1588923679 IUCPFRVRUZXSDJ-LJQANCHMSA-N 484.988 2.100 30 10 JEEE C=CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1595314023 DBMRZPXIULDNAP-GOSISDBHSA-N 451.531 2.100 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1595766167 MMNLVWHJNYHJNT-HXUWFJFHSA-N 485.031 2.214 30 10 JEEE C[C@@H](CNC(=O)OC(C)(C)C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CCC#N)CC1CC1 1611627063 BXLWIXAZKLBRAV-WMZOPIPTSA-N 480.635 2.471 30 10 JEEE CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1613067191 BYFWKMIABDNPTK-KRWDZBQOSA-N 451.579 2.213 30 10 JEEE C#CCNC(=O)C[C@@H]1c2nc(NC(=O)OCC=C)sc2C[C@@H]2[C@](C)(CO)[C@@H](O)CC[C@@]12C 1616129923 NOESKNAJJDPGLE-ZJGLVFBPSA-N 461.584 2.433 30 10 JEEE CCO[C@]1(c2nnc(N3CCN(Cc4ccc(C#N)cc4)CC3)n2CCC(C)(C)O)CCOC1 1616256718 BTZKRYBFVCEWKN-RUZDIDTESA-N 468.602 2.285 30 10 JEEE C#CCCN(CC(F)(F)F)C(=O)CNS(=O)(=O)c1ccc(NC(C)C)c([N+](=O)[O-])c1 1624726656 WELNCYOJCPDXGV-UHFFFAOYSA-N 450.439 2.108 30 10 JEEE C#C[C@H](NC(=O)c1ccc(CNS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1)[C@H]1CCCO1 1625619903 QVSPBPGTWDTZJJ-FCHUYYIVSA-N 455.536 2.034 30 10 JEEE C#CCN1CCC(NC(=O)[C@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc(F)cc2)CC1 1645781988 VYGNJRKAHFLGLI-HSZRJFAPSA-N 455.555 2.155 30 10 JEEE CC(C)(CNS(=O)(=O)c1ccc(C#N)nc1)S(=O)(=O)c1ccc(Br)cc1 1660251146 DPFWGPNXUUOXIM-UHFFFAOYSA-N 458.359 2.247 30 10 JEEE COc1ccc([C@H](CNC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)N2CCOCC2)cc1 1673901651 BJZVSDGNRUYFOH-VXKWHMMOSA-N 451.527 2.198 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@@H]1CC(F)(F)CO1)[C@H]1CCS(=O)(=O)C1 1689983402 AVJGKCIESZUBBY-WMZOPIPTSA-N 466.510 2.005 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H](OC)C(C)C)[C@H]1CCS(=O)(=O)C1 1689997017 UIQWKLINYXIOLQ-PZJWPPBQSA-N 471.583 2.026 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H](C(C)C)N1CCOCC1 1690000011 PIXXOKALWDZJGA-QFIPXVFZSA-N 483.016 2.291 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cn(C)c3ccccc23)n1C[C@H]1CCCS(=O)(=O)C1 1690099888 PCELATVYSJLCNU-GOSISDBHSA-N 455.584 2.348 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(N2CCCC2=O)c1 1690189960 HMJJFKDBDASTJG-GAJHUEQPSA-N 470.599 2.056 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC2CCCC2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1690250590 JFKCVEDUHNODNC-HFSMHLIXSA-N 451.637 2.462 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN([C@H](C)c2nc(C(C)C)no2)CC1 1690667657 CIPKDGWAIHHORQ-QGZVFWFLSA-N 465.562 2.032 30 10 JEEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(N2CCCCC2)CC1 1690675237 TVZLDZANHULHGC-UHFFFAOYSA-N 471.631 2.027 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](Cc2ccc(F)cc2)C1 1690714157 GMCOXIMUNOZDMT-LJQANCHMSA-N 475.590 2.323 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCCN(C(C)=O)CC1 1690723158 JVJOPQACWJZLCV-UHFFFAOYSA-N 484.582 2.260 30 10 JEEE CC(C)CN1CCO[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N(CCS(C)(=O)=O)C2CC2)C1 1692433772 DXBKQDBUZSOIIK-QFIPXVFZSA-N 486.642 2.187 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1692667596 HGFADOGWPYNXGL-LDQXTDLNSA-N 481.601 2.198 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1CC1(O)CCCCC1)[C@H]1CCS(=O)(=O)C1 1705568563 QDJUPZRUDJVVKN-FQEVSTJZSA-N 472.611 2.487 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1nc2cc(Cl)ccc2s1 1705573287 DIBSTXVHXZBXSV-CYBMUJFWSA-N 462.988 2.273 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCN1CCN(C)C(C)(C)C1 1705582202 VYYNTCIIDZBYHU-QFIPXVFZSA-N 497.688 2.491 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CC(F)(F)CO1 1705590996 BUQARASUFJYURS-GOSISDBHSA-N 477.537 2.083 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2Cc2ccc(C[S@](C)=O)cc2)CC1 1705649229 PYQHKZXFPHMVLR-UMSFTDKQSA-N 478.622 2.176 30 10 JEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](c2ccccc2)N2CCOCC2)CC1 1705763007 NBNRFQZJTTZMAZ-FPOVZHCZSA-N 474.631 2.118 30 10 JEEE C=CC[C@H](Cn1c(COCC)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1)c1ccccc1 1705798537 UQSXOBANMJEVCF-JOCHJYFZSA-N 480.613 2.446 30 10 JEEE C=CCN(Cc1cccs1)c1nnc(C(=O)NC(C)C)n1C[C@H]1CCCN1S(C)(=O)=O 1705863712 CESITXIHWUVUGP-MRXNPFEDSA-N 466.633 2.094 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCCNC(=O)c2occc2C)C1 1705914322 LFFMAPQARDMXFZ-SFHVURJKSA-N 456.547 2.017 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1705933111 URULYMZWKORVPC-JOCHJYFZSA-N 495.609 2.136 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1705937342 QRCAWNVCWIPYOF-SPEDKVCISA-N 452.621 2.384 30 10 JEEE CN(Cc1ccon1)c1nnc(COc2ccc(C#N)cc2)n1CCCN1CCC(O)CC1 1711126826 APPCSZQNXYIWSU-UHFFFAOYSA-N 451.531 2.200 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC1([S@](C)=O)CCC1 1722301225 KPIIFXQVVZKKGT-PPGPUPIYSA-N 468.671 2.402 30 10 JEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 1722316073 ARVCYIGBGQSURS-RTWAWAEBSA-N 489.646 2.069 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC2CCS(=O)(=O)CC2)CC1 1722432216 XEOCDPYSDBHSMY-SFHVURJKSA-N 475.590 2.137 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)N(C)Cc2ccccc2)CC1 1722440383 DYDGPWHGYTVDCB-OAQYLSRUSA-N 491.640 2.000 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN(C)C(=O)OC(C)(C)C 1722473295 CHWJRELCRRIUIR-HRAATJIYSA-N 451.593 2.039 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1722500925 NMHIYVMOPHEWAL-NJNPRVFISA-N 493.605 2.448 30 10 JEEE C=CC1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CC[S@@](=O)CC)CC1 1722578618 TYPFFCUPHMPFFJ-PMERELPUSA-N 450.634 2.409 30 10 JEEE C=CC[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(S(C)(=O)=O)CC1)c1ccccc1 1722594663 PNQYDIZDOPOOKU-UXHICEINSA-N 472.615 2.061 30 10 JEEE C=CCCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)CC(=O)N1CCOCC1 1722599788 JCAKJSUXKZRRTJ-UHFFFAOYSA-N 489.646 2.198 30 10 JEEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1722628486 XIYSOKDVLVTLQO-HNNXBMFYSA-N 451.453 2.193 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(C)noc1C 1722659029 PBOGSHXKGXUPQD-NRFANRHFSA-N 486.598 2.457 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C2CCOCC2)CC1 1722690994 NQUNZHPTBDXZRH-GOSISDBHSA-N 472.565 2.160 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H]2CCCS(=O)(=O)C2)C1 1722721652 KIKWKJXJOUVRPP-WMZOPIPTSA-N 451.618 2.240 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN2CCOC[C@H]2C1 1722723977 JYCUPUVLRDDOOA-LEWJYISDSA-N 489.642 2.157 30 10 JEEE CN(C)C(=O)CCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@](C)(C#N)C1 1729299775 DOXPQNUYRADONK-JOCHJYFZSA-N 472.619 2.237 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1CC1(O)CCS(=O)(=O)CC1 1740540774 YYJHQDHHHSISGH-AWEZNQCLSA-N 497.415 2.114 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2C[C@H]2CCOC[C@@H]2OC)c1 1740564812 YIVLWGSJYXGQQZ-GGAORHGYSA-N 474.565 2.372 30 10 JEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1740567718 VFVRBZLLQMJZCV-FQEVSTJZSA-N 483.642 2.276 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H](OC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1740621634 XXFJXXKKLKKQPQ-NQIIRXRSSA-N 476.599 2.260 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2CC2(N3CCSCC3)CCCC2)CC1 1740691060 TVVKJTFBMKTSMI-OAQYLSRUSA-N 476.691 2.119 30 10 JEEE C#CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1740716025 IXZPRUYQRDRZEK-QZTJIDSGSA-N 482.610 2.281 30 10 JEEE C#CCSCCn1c(N2CCC[C@@H](C(N)=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740722253 CGUKPDRYYAPUAH-ZACQAIPSSA-N 462.620 2.117 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)CN2CCCCC2)CC1 1740839041 FPJCAUYMUVKZRD-CTNGQTDRSA-N 480.679 2.135 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)Cc1c(C)noc1C 1740951897 PWXCLQLJDKWPIH-UHFFFAOYSA-N 471.949 2.405 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCN(C(=O)c2ccsc2)CC1 1740987269 RHOWVZRQBOBTMK-MRXNPFEDSA-N 451.618 2.416 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 1740987829 NETIJPVMWMKIMR-NRFANRHFSA-N 485.610 2.303 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCO[C@H](COC)C1 1740988315 AEIKSWDJJAIEKA-INIZCTEOSA-N 470.979 2.060 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC(CN2C[C@H](C)O[C@H](C)C2)CC1 1740995429 LNNAJBXULOXNKC-SVFBPWRDSA-N 481.663 2.056 30 10 JEEE CC(C)OC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(N(C)C)CCOCC2)CCO1 1741745628 COJQCSZCXNLMAX-QHCPKHFHSA-N 498.628 2.470 30 10 JEEE CN(C)CC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1747582603 AHJDTKHHYWHUAS-IBGZPJMESA-N 468.581 2.154 30 10 JEEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@]2(C)CCCO2)c1 1747600521 BSTBJINTUXPNGA-RTWAWAEBSA-N 462.551 2.206 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)C)n2Cc2ccc(-n3cncn3)nc2)c1 1748691741 LOKNMNBMYCVFAR-UHFFFAOYSA-N 455.526 2.482 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccsc3)n2CCCn2cnnn2)c1 1748694372 GXOFKRYQCXJVCM-UHFFFAOYSA-N 461.555 2.063 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CC(F)(F)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1748804720 KGBGDMBKUORKDJ-UGKGYDQZSA-N 494.564 2.349 30 10 JEEE C#CCN(c1nnc(-c2ccc(Br)s2)n1CCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1748809118 QHJUVEFFGBHVSX-OAHLLOKOSA-N 498.472 2.492 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H]1CCCCO1 1748959954 BQXORRORSYGSOM-GOSISDBHSA-N 450.543 2.330 30 10 JEEE C#CCSCCn1c(N2CCO[C@@H](Cn3nc(C)cc3C)C2)nnc1[C@]1(OC(C)C)CCOC1 1749049754 QIDWUAXXURXYNA-QPPBQGQZSA-N 488.658 2.404 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@@H](Cn3cccn3)C2)cc1 1749683192 LNLFPKBGFOJBLZ-OAQYLSRUSA-N 465.558 2.131 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC(=O)Nc2ccc(F)cc2)C1 1749693993 NMEOGDKCRPUHKB-GOSISDBHSA-N 465.489 2.485 30 10 JEEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 1749754614 PEXMBCOVDSLYFM-JKSUJKDBSA-N 459.572 2.219 30 10 JEEE N#Cc1ccc(OCc2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2CCCN2CCC(O)CC2)cc1 1750384586 GIDZKUODHHBOPH-HXUWFJFHSA-N 494.518 2.343 30 10 JEEE C#CCCCn1c(Cc2ccccc2OC)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1760155584 CARIAUKNUJIVPU-UHFFFAOYSA-N 459.554 2.111 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1CCN(C(=O)OC)CC1 1760212619 YWAFJCPBGBCQMR-XMMPIXPASA-N 457.575 2.260 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCO[C@@H]1C(=C)C 1760247730 MSGRAYOTHSGREV-PGRDOPGGSA-N 462.554 2.259 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1C[C@H](c1ccc(C)cc1)N1CCOCC1 1760248868 FLIYPSDBUHMZIE-DHIUTWEWSA-N 453.587 2.250 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2C[C@@]2(O)CCOC2)CC1 1760266016 OCRZBMSBZUKCNC-OSPHWJPCSA-N 487.988 2.189 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2CCc2nnc(C)s2)CC1 1760269925 GYIXNDPLGYPLNY-UHFFFAOYSA-N 467.574 2.376 30 10 JEEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1760432395 IXUJVNQJHCIVOW-QGZVFWFLSA-N 452.625 2.083 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccc(F)c1F 1760495363 MCXBHOYDKNETHP-SFHVURJKSA-N 467.542 2.310 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CC[C@H](C(=O)OC)C1 1760518789 GWJAPQOJJKRPTE-KRWDZBQOSA-N 465.510 2.419 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 1760525793 RPMDGYCLDDZBFU-FQEVSTJZSA-N 452.481 2.096 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N(C)Cc1ccc(Br)cc1 1760548284 CIYAVIDPRYGJFF-UHFFFAOYSA-N 484.420 2.416 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(=O)OC)CC1 1760548392 FMUVXUVNVXEDAD-MRXNPFEDSA-N 481.550 2.046 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCCN(C(=O)Cc2cccc(F)c2)CC1 1760549217 ZDENXPORRHGYAA-UHFFFAOYSA-N 477.606 2.423 30 10 JEEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 1760560057 OCMYVEJYYKOEOG-OAHLLOKOSA-N 488.680 2.301 30 10 JEEE COc1cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCN2CCC(O)CC2)ccc1OC(C)C 1768279667 BJHUCZMMMWFJDT-NRFANRHFSA-N 484.601 2.316 30 10 JEEE COc1ccc(-c2cc(O)nc(N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)n2)cc1OC 1858573387 HUFNOMSVDALPQF-UHFFFAOYSA-N 481.534 2.249 30 10 JEEE C=CCNC(=O)[C@H]1C[C@@H](O)CN1C(=O)c1ccc2c(c1)C(=O)N(c1c(CC)cccc1CC)C2=O 1861531840 OQZNXDYPDMTIQT-DENIHFKCSA-N 475.545 2.490 30 10 JEEE O=C(O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CCCN2CCOCC2)cc1 1862628866 ILZDBQXSZWWPBD-JOCHJYFZSA-N 494.500 2.414 30 10 JEEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2cc(OC)c(O)c(OC)c2)c1 1862707823 GCLMCKOPRCPQCW-QFIPXVFZSA-N 498.532 2.329 30 10 JEEE C=CCNC(=O)C1=C(N)Oc2c(c(C)nn2CCC)[C@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1864891802 SPAVFXCXWNFNFZ-GOSISDBHSA-N 455.471 2.278 30 10 JEEE C#CCOc1cn(C[C@@H]2CCCO2)c(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1=O 1870560550 BAUFRZIYXHQDCP-QFIPXVFZSA-N 452.511 2.270 30 10 JEEE CN(C(=O)c1cc(Br)cnc1Br)C1CN(c2nccnc2C#N)C1 1891757573 MUGUSYFXVFIXIB-UHFFFAOYSA-N 452.110 2.229 30 10 JEEE COC[C@H](ONC(=O)OC(C)(C)C)C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2128727602 GRMUHSMUGVAQDH-KRWDZBQOSA-N 450.341 2.073 30 10 JEEE CC1(C)OB(c2ccc3c(c2)CCN3S(=O)(=O)N2CC(OCc3ccccc3)C2)OC1(C)C 2161950075 FXENWRFMSDZEJO-UHFFFAOYSA-N 470.400 2.494 30 10 JEEE Cn1[nH]c(=NC(=O)OC(C)(C)C)cc1C(=O)NCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2180984088 TWQRYXCHHWXHFW-UHFFFAOYSA-N 456.352 2.418 30 10 JEEE CC(C)(C)OC(=O)NCCOCCOCCNCc1occc1B1OC(C)(C)C(C)(C)O1 2225560515 FHTQICBKADBPPG-UHFFFAOYSA-N 454.373 2.226 30 10 JEEE CC(C)(C)OC(=O)NCc1n[nH]c(=NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)o1 2255659655 VHJXCLIYDKFRML-UHFFFAOYSA-N 450.326 2.129 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CC[C@@H]2NC(=O)OCc2ccccc2)n1 2255830161 AZSKKSFQJZTOGI-MOPGFXCFSA-N 468.363 2.389 30 10 JEEE CC(C)(C)OC(=O)N1CC2(COC[C@H](CNC(=O)C3(B4OC(C)(C)C(C)(C)O4)CC3)O2)C1 2267183973 RPRBGTQYXOTCSG-HNNXBMFYSA-N 452.357 2.134 30 10 JEEE Cc1cc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2O)sc1B1OC(C)(C)C(C)(C)O1 2267229558 AHLYGSRDOOWTJG-LSDHHAIUSA-N 466.409 2.456 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1CCN1S(=O)(=O)c1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2267475425 KJSMLDFESXAHAI-HNNXBMFYSA-N 470.372 2.413 30 10 JEEE C[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 2267500442 JAPVKIVRPCTJIV-OLZOCXBDSA-N 468.791 2.358 30 10 JEEE CC1(C)OB(c2ccsc2S(=O)(=O)NC[C@H]2CCCN(C(=O)C(F)(F)F)C2)OC1(C)C 2267716188 JJEYVKPXHPVBJG-GFCCVEGCSA-N 482.355 2.127 30 10 JEEE C=C(CS(=O)(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)C2(CC2)CO1)B1OC(C)(C)C(C)(C)O1 2267725872 GJWXLJMHDZOTGM-INIZCTEOSA-N 472.413 2.262 30 10 JEEE Cn1cc([C@H](NC(=O)OC(C)(C)C)C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)s2)cn1 2268647333 YSLYVVUMUKOHGG-AWEZNQCLSA-N 463.369 2.380 30 10 JEEE CC1(C)OB(c2sccc2CS(=O)(=O)N[C@@H](COCc2ccccc2)C(=O)O)OC1(C)C 2269028993 GDQPRULKHDXSDO-KRWDZBQOSA-N 481.401 2.137 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@H](C(=O)N3CCC=C(B4OC(C)(C)C(C)(C)O4)C3)O[C@H]2C1 2279904712 GBUASJOXRRMNHW-OKZBNKHCSA-N 464.368 2.180 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1COCCN1C(=O)c1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2281757556 DNAKJRBIYYAQOU-INIZCTEOSA-N 464.343 2.491 30 10 JEEE Cn1ncc(C(=O)NC[C@]2(F)C[C@@H](CNC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2281809348 VABSOTNKGVTVSE-XLOAEROZSA-N 466.363 2.092 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCC1(C)CN(C(=O)OC(C)(C)C)C1 2281999360 WXDLQHRBMNUTKW-UHFFFAOYSA-N 462.400 2.405 30 10 JEEE CN(C[C@H]1CCCCN1Cc1ccccc1)C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2282061733 OSNSYHDVPPBKHN-LJQANCHMSA-N 453.396 2.241 30 10 JEEE Cc1cc(C(=O)NCC2(O)CC(NC(=O)OC(C)(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2282123034 PDVWZVLUBDIQMF-UHFFFAOYSA-N 460.380 2.442 30 10 JEEE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282303459 XEYLKUYVDQHYSJ-MAUKXSAKSA-N 481.424 2.305 30 10 JEEE CC(C)(C)OC(=O)N[C@@]12CC[C@@H]1CN(S(=O)(=O)c1cncc(B3OC(C)(C)C(C)(C)O3)c1)C2 2282347637 ASAVBWQTNPHJLH-IVZQSRNASA-N 479.408 2.059 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1S(=O)(=O)N1C[C@H]2[C@H](NC(=O)OC(C)(C)C)[C@H]2C1 2282500884 OZAIKAHIPCWPGK-DZFIZOCASA-N 478.420 2.438 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CC12CCN(C(=O)OC(C)(C)C)CC2 2282540509 KUNNRWNLYDNQKK-INIZCTEOSA-N 460.384 2.239 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)C[C@]12CCOC2 2282596100 ADBRHUOWRGQKQJ-FPTDNZKUSA-N 479.408 2.341 30 10 JEEE Cc1c(C(=O)N2C[C@@H](CNC(=O)OC(C)(C)C)C[C@H]2C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282600022 SCTLNYFAJVESSA-GDBMZVCRSA-N 462.400 2.403 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1[C@H]2CC[C@H]1N(S(=O)(=O)c1cncc(B3OC(C)(C)C(C)(C)O3)c1)C2 2282831724 DCMHHYPBGJZFNF-BMGDILEWSA-N 479.408 2.057 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H](NC(=O)c3nccnc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2283062088 RCHKEQKXRDKJQX-HRCADAONSA-N 458.368 2.151 30 10 JEEE CN(Cc1ccccc1B1OC(C)(C)C(C)(C)O1)C(=O)[C@H]1C[C@H](O)CN1C(=O)OC(C)(C)C 2283951153 TXFZWSVMUHQXKY-PKOBYXMFSA-N 460.380 2.315 30 10 JEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H](CC(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)O1 2283976381 CHVTXHITKCQOHW-LSDHHAIUSA-N 481.424 2.473 30 10 JEEE Cc1nc(NC(=O)[C@@H]2CCOCCN2C(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2285274908 PKHFPXKCTSGDNG-INIZCTEOSA-N 462.356 2.049 30 10 JEEE CN(C)S(=O)(=O)c1ccc(C(O)=C2C(=O)C(=O)N(CCN3CCCCC3)[C@H]2c2cccnc2)cc1 2295993316 JWUSEUQQZRFVDJ-QFIPXVFZSA-N 498.605 2.240 30 10 JEEE CN[C@@H](C#Cc1ccc(Br)cc1)[C@@]1(NC(=O)OC(C)(C)C)CCS(=O)(=O)C1 2296309775 ALKKJDVPNQCCGJ-QFBILLFUSA-N 457.390 2.471 30 10 JEEE COCCN1C(=O)C(=O)C(=C(O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@@H]1c1ccc(OC)cc1 2297741539 KTSURBTZZYBDSH-FQEVSTJZSA-N 474.535 2.014 30 10 JEEE CCOc1cc(C=Nn2c(CNC(C)=O)nnc2SCCCO)cc(Br)c1O 2330784238 WCAYCRFSBHIDAR-UHFFFAOYSA-N 472.365 2.138 30 10 JEEE CN(CCOCCN(C)C(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2337394512 MUWBQRRTWYAHAD-UHFFFAOYSA-N 469.413 2.398 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@@H](CNC(=O)OC(C)(C)C)OC 2339877791 DTBJGUIEPUVQCE-INIZCTEOSA-N 451.373 2.077 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@]2(C(=O)Nc3cccc(B4OC(C)(C)C(C)(C)O4)n3)CO[C@H]1C2 2359391139 JSPBEZZSSMGNJF-HUYGQZFBSA-N 459.352 2.392 30 10 JEEE CC(C)(C#C[C@@H](NN)c1cc(I)ccc1Br)S(C)(=O)=O 2365196248 KKKVVCPFFZFAKE-GFCCVEGCSA-N 471.158 2.385 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(=NC[C@H]2CN(C(=O)OC(C)(C)C)[C@H]3CCN2C3)[nH]1 2368761100 XMMFZLAQEKGSAB-OALUTQOASA-N 458.412 2.217 30 10 JEEE C=CCN1C(=O)[C@@H](C)Oc2cc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)ccc21 12234054 AYRUNPWANUZTJU-MRXNPFEDSA-N 471.535 2.260 30 10 JEEE Cc1c(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccnc2)cnn1-c1ccccc1 103228897 IHZLDOXLZVOAPR-FEYWKWKCSA-N 473.533 2.330 30 10 JEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCc3nccn3CC(F)(F)F)nnc12 524373643 ZYJLCMSCNICDLI-UHFFFAOYSA-N 477.472 2.398 30 10 JEEE C#CCn1c(-c2ccc3c(c2)NC(=O)[C@H](C)O3)csc1=NCc1ccc(S(N)(=O)=O)cc1 727971674 MNSPPZGXZSNRAJ-AWEZNQCLSA-N 468.560 2.318 30 10 JEEE N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccc(F)cc1F 729668372 HQYRZGLOTWYRII-UHFFFAOYSA-N 491.523 2.387 30 10 JEEE CCO[C@@H]1CN(C(=O)C#CCNC(=O)OCC2c3ccccc3-c3ccccc32)C[C@@H]1C(=O)O 757470612 KFMDDPSMXPORAL-JTHBVZDNSA-N 462.502 2.477 30 10 JEEE Cc1nn(C)cc1C=NNc1nc(SCC(=O)Nc2cccc(N3CCCC3=O)c2)n[nH]1 1083890402 KQFQLPQTFBHLDO-UHFFFAOYSA-N 453.532 2.150 30 10 JEEE CN(C)c1ccc(C=NNc2nnc(SCC(=O)Nc3cccc([N+](=O)[O-])c3)n2N)cc1 1083904652 PDWQFEMSOFVUIU-UHFFFAOYSA-N 455.504 2.143 30 10 JEEE Cc1nn(C(C)C)c(C)c1C=NNc1nnc(SCC(=O)Nc2ccc3c(c2)OCO3)n1N 1084513415 KWRWBAYMNUTXIA-UHFFFAOYSA-N 471.547 2.292 30 10 JEEE CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)N[C@H]2CCc3cc(C#N)ccc32)c1 1128564764 GWIWVGBRYBZMQG-NRFANRHFSA-N 454.552 2.062 30 10 JEEE COc1ccc(C[C@@](C)(O)CNC(=O)CCc2c(C)nc3c(C#N)cnn3c2C)cc1OC 1160305102 HYOFIGDSAYSBPE-XMMPIXPASA-N 451.527 2.278 30 10 JEEE C=CCOC[C@H](NC(=O)c1cccc(NS(=O)(=O)c2cc(F)ccc2C)c1)C(=O)OC 1183284989 KSKKHHXXHYKBRC-SFHVURJKSA-N 450.488 2.409 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC[S@](=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1286383791 ODSWGLCOSFCEBE-CVCYQNGTSA-N 493.611 2.027 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1Cc1cc(OC)c(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1286391931 FZPKTYMEXOZBJR-GOSISDBHSA-N 476.599 2.177 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1286404823 XLEYRKBXECYBKF-NHCUHLMSSA-N 497.621 2.239 30 10 JEEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](C)Cc2ccc(OC)cc2)CC1 1286483311 GLDJAHQJCNJMGM-HXUWFJFHSA-N 450.587 2.043 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3c[nH]c4ccccc34)n2CC[S@](=O)CC)CC1 1286490895 WFJIJSIIILSADV-JGCGQSQUSA-N 452.584 2.161 30 10 JEEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(c2ncc(F)cn2)CC1 1286534670 BVYQFRKPMKZIGR-CQSZACIVSA-N 470.347 2.166 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccccc2OC)nnc1N1CCC(OCC(N)=O)CC1 1286557190 HMYIBEUXVYNDEL-NTKDMRAZSA-N 469.586 2.329 30 10 JEEE C=C(C)COCCn1c(Cc2ccccc2F)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1286609871 STORIZBSPVFABF-SFHVURJKSA-N 468.537 2.133 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H]1[C@@H]1CCCO1 1286790878 KICSQPBJQVHRFD-FHWLQOOXSA-N 490.605 2.037 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1286792525 AKYHLQYJRXQTPK-KRWDZBQOSA-N 472.565 2.430 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cc(OC)c(OC)c(OC)c2)C1 1286798828 PDUSVCRNWDYYBA-SFHVURJKSA-N 471.558 2.370 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(c2ccc(F)c(OC)c2)CC1 1286818438 WTFDKCGVNNGSLK-UHFFFAOYSA-N 451.568 2.477 30 10 JEEE CCCC(O)(CCC)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(C#N)C1 1294005047 AHKZFTJHFAOZQX-NQIIRXRSSA-N 482.651 2.072 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@H](C)c1ncc(C)s1)[C@H]1CCS(=O)(=O)C1 1300479635 QTSSNCHIZNETRW-RDJZCZTQSA-N 499.622 2.121 30 10 JEEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCSC(C)C)[C@@H]1CCS(=O)(=O)C1 1300481577 AXFSZPPWUXYDGV-GOSISDBHSA-N 496.680 2.117 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1C[C@@H]1CCOC[C@H]1OC)[C@@H]1CCS(=O)(=O)C1 1300488049 AGRWQHSGPKEOIY-DFQSSKMNSA-N 479.002 2.277 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1300649955 QHNORKQBFFQJCY-IBGZPJMESA-N 474.606 2.247 30 10 JEEE C#CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC(CO)CC1 1300756769 SNUNZVUKBIWSGT-UHFFFAOYSA-N 452.584 2.250 30 10 JEEE C=C(Cl)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(CCOCC)CC1 1301032881 BCMPNJCSQYVZCS-UHFFFAOYSA-N 468.027 2.149 30 10 JEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccc(Br)n2)CC1 1301065722 IOJBDEMMVQLDPL-ZDUSSCGKSA-N 455.382 2.251 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H]1c1ccc(OC)c(OC)c1 1301490831 FYUWTYBKXXDQIA-GOSISDBHSA-N 451.531 2.340 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)N2CCCC2)nnc1N1CCCN(C(C)=O)CC1 1301530680 ZITMJQIZHKLZCS-UHFFFAOYSA-N 452.559 2.186 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CC[C@@](O)(c2ccc(C)cc2)C1 1301587851 AKFDMCYWVZPPHS-CVDCTZTESA-N 460.600 2.179 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1301593728 SUXGXCJPLASNFZ-IBGZPJMESA-N 470.599 2.494 30 10 JEEE C=CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](CC(N)=O)C1 1301600566 CVXHFWGTJWSLCX-INIZCTEOSA-N 463.629 2.360 30 10 JEEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2C[C@H](C)O[C@@H](C)C2)C[C@@H]1C 1301890146 IEVFWDSQCMJPRH-FKBYEOEOSA-N 481.645 2.473 30 10 JEEE CCC[C@@](C)(O)Cn1c(Cc2ccncc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1306539822 ADUCOHIPARKJGS-MHECFPHRSA-N 461.574 2.192 30 10 JEEE C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 1307651143 GIXROHDULBGDJN-WIYYLYMNSA-N 459.566 2.476 30 10 JEEE C#CCCCCn1c(-c2cccn2C)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1358909732 QCPMWMOUOVZPAC-UHFFFAOYSA-N 450.547 2.144 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@](C)(O)c1cc(C)oc1C)[C@@H]1CCS(=O)(=O)C1 1358960539 GWHZBLIEBKFXSF-WZONZLPQSA-N 471.583 2.028 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H](OCC)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1358964003 RGIAAKYZWPVWHJ-NJDAHSKKSA-N 458.584 2.187 30 10 JEEE C#CCN(c1nnc(Cn2ccc3ccccc32)n1CCCCOC)[C@H]1CCS(=O)(=O)C1 1358966310 MGTXSFSYJXJPBP-FQEVSTJZSA-N 455.584 2.334 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccc(C)n(C)c1=O 1359020278 XKXQDCBKOPNBRC-UHFFFAOYSA-N 459.348 2.177 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N(C)CCN2CCOC(C)(C)C2)nnc1[C@@]1(OCC)CCOC1 1359104857 GOMJCUMIVNVGFZ-TYBLODHISA-N 477.650 2.458 30 10 JEEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C2CC2)C1 1359117257 PJYXCIYDIAVKNO-BHYGNILZSA-N 468.624 2.204 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1359118635 SMJDXZDNCMGVSS-UXHICEINSA-N 461.588 2.156 30 10 JEEE C=C(Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1)c1ccccc1 1359138871 GEHOMPNNFFIBSQ-IBGZPJMESA-N 469.615 2.500 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(F)(F)F 1359254783 CKQFHKNHFARRHS-KRWDZBQOSA-N 489.520 2.375 30 10 JEEE COc1ccc([C@@H]2[C@H](C(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CCC(=O)N2C)cc1 1447480869 GZBLIQXRUGCHKN-GZMOKQHVSA-N 456.543 2.480 30 10 JEEE C#C[C@H](NC(=O)NCC[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)c1ccc(F)cc1 1478893868 QMQSSKJCRQJAQH-MSOLQXFVSA-N 453.536 2.223 30 10 JEEE C=CCOCCCNC(=O)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 1478983514 ADLBEMDXLSMDON-UHFFFAOYSA-N 452.396 2.119 30 10 JEEE C#CCCCn1c([C@@H]2COc3ccccc3O2)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1507588502 MMITUMLQSAKSHR-RXVVDRJESA-N 474.583 2.234 30 10 JEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1CN(C(=O)OC(C)(C)C)C1 1507607620 BAXIJGJDLZKKCX-UHFFFAOYSA-N 473.603 2.175 30 10 JEEE C#CCN(c1nnc(CSc2ccc(Cl)cc2)n1Cc1nncn1C)[C@@H]1CCS(=O)(=O)C1 1507639090 VNMFDZJBHLJECI-MRXNPFEDSA-N 492.030 2.027 30 10 JEEE C#CCN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1cccc(OCC(N)=O)c1 1507700084 NCWIKCHJISLNLX-KDURUIRLSA-N 482.585 2.421 30 10 JEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2cccc(C(F)(F)F)n2)CC1 1507725896 BZGCQTJDXYSRED-UHFFFAOYSA-N 458.492 2.357 30 10 JEEE C#CCN1CCN(c2nnc(CC(C)C)n2C[C@@H]2C[C@@H]3COC[C@H]3N2C(=O)OC(C)(C)C)CC1 1507730176 NQAZFKHLRLNVFG-QHAWAJNXSA-N 472.634 2.256 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC[C@H]2CCOC2)CC1 1507732752 KKSPGRCECJQXAT-SLFFLAALSA-N 458.607 2.231 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](CC)NC(=O)OC(C)(C)C)CC1 1507739148 NKUPCLMGTVEUPQ-WOJBJXKFSA-N 488.633 2.441 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2nccs2)C1 1507915619 DNZWADFHYNJNGS-IRXDYDNUSA-N 496.659 2.248 30 10 JEEE C=CCOc1ccc(Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCN(C)C(=O)[C@H]2C)cc1 1508106726 WCJMXDGZIDAPDJ-LMNJBCLMSA-N 455.559 2.282 30 10 JEEE CCO[C@@]1(c2nnc(N(C)Cc3ccc(C#N)cc3)n2C[C@@H](C)CN2CCOCC2)CCOC1 1516130611 ACOWSDJIVDXUBY-CPJSRVTESA-N 468.602 2.407 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCc1nccs1)[C@H]1CCS(=O)(=O)C1 1539205305 GPUIBCCUNUXQSV-AWEZNQCLSA-N 495.428 2.362 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1CCOc1cc(C)cc(C)c1)[C@H]1CCS(=O)(=O)C1 1539219157 BEZAYBPPMACLKW-PMACEKPBSA-N 458.584 2.105 30 10 JEEE C#CCN1CCN(c2nnc(CCCOc3ccc(Cl)cc3C)n2C[C@H]2CCC(=O)N2)CC1 1539454697 YGAUZAQMTAZZGZ-HXUWFJFHSA-N 471.005 2.285 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2CC2(O)CCCCCC2)CC1 1539489320 UNKMSEWNGFDYGT-UHFFFAOYSA-N 498.653 2.321 30 10 JEEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1539977633 QWMJOLVUOCOHGV-UHFFFAOYSA-N 480.617 2.416 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@H]1[C@@H]1CCCO1 1540864233 SUFHLZLNONVVMZ-RDJZCZTQSA-N 463.380 2.496 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CC=CCC1 1540901856 RGZCZVCHQJBSNN-UHFFFAOYSA-N 468.583 2.432 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](c2ccc(F)cc2)C1 1540907402 VORBWNLYPYHHRP-NRFANRHFSA-N 488.589 2.458 30 10 JEEE CN(Cc1cccc(C#N)c1)c1nnc(CN2CCCC2=O)n1CCS(=O)(=O)C(C)(C)C 1554164880 BAGBQRMCGLLBHC-UHFFFAOYSA-N 458.588 2.122 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCS(=O)(=O)N1CCSCC1 1587679243 YQJGCZJDIXBKQM-KZNAEPCWSA-N 469.677 2.033 30 10 JEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CC[C@H](OCC)C1CCCC1)[C@H]1CCS(=O)(=O)C1 1588024629 IAQNAZOZUCPFBL-SFTDATJTSA-N 491.658 2.126 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@H]1CCCN1CC)[C@H]1CCS(=O)(=O)C1 1588070003 VFFHHZNKSXOXAJ-UXHICEINSA-N 475.590 2.107 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H](C)CN2CCCCC2)CC1 1588751382 KAFUYBLBCZCFMC-WIOPSUGQSA-N 458.651 2.196 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H]2CCO[C@@H]2C(C)C)CC1 1588885862 ZUPQZJVXVBVAFN-PZJWPPBQSA-N 472.634 2.223 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@]2(C)CCCO2)CC1 1588962130 VRWVLQMRDQEYBP-VWLOTQADSA-N 467.570 2.401 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)c1ccco1 1589545299 NAOAVGNWCGSEBV-LFGUQSLTSA-N 479.603 2.383 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1c(C)nn(C)c1C 1589548210 YGIZLNHXZAFQRW-NSHGMRRFSA-N 462.620 2.148 30 10 JEEE C=C(C)COCCn1c(-c2ccc(OC)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1593717682 IOFPIQAWTVNLQU-IBGZPJMESA-N 454.531 2.019 30 10 JEEE C=C(C)COCCn1c(CC(C)C)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1593746761 MHQCMCDSJWCHEJ-UHFFFAOYSA-N 460.623 2.010 30 10 JEEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1594895713 ORXKRLJXJDABMX-SFHVURJKSA-N 482.614 2.472 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCN(C(C)=O)C1 1595084230 IJHUDLRSPVNHRH-AVRDEDQJSA-N 499.641 2.211 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](CC)c2ccccc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1595758626 AZGCDHIIXGTKGF-OALUTQOASA-N 466.629 2.044 30 10 JEEE CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)N[C@@H]3Cc4ccc(C#N)cc4C3)CC2)c1 1595971910 CGOVTIZQOKOPTC-JOCHJYFZSA-N 451.548 2.445 30 10 JEEE CC(C)N(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1607955555 GUBRHTIQLIFDIK-JOCHJYFZSA-N 467.618 2.227 30 10 JEEE CCN(CC)C(=O)CCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@](F)(C#N)C1 1615316439 BFPGFLFKZJOTIU-QFIPXVFZSA-N 466.525 2.011 30 10 JEEE CN(C)C(=O)C[C@H](NCC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)c1ccccc1 1643120233 GMRCULDYLICVSV-GOTSBHOMSA-N 451.546 2.344 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)CC)n2CCC(=O)N2CCOCC2)c1 1689868241 ALCXACWGIDCGMH-GOSISDBHSA-N 452.559 2.097 30 10 JEEE C#CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1689875229 NJKPLTYSTUCFCW-IBGZPJMESA-N 472.615 2.421 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc2[nH]c(C)c(C)c2c1 1690093885 NBPVAVNUATWJFE-QGZVFWFLSA-N 458.588 2.121 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(F)cc2Br)n1CC(=O)N(C)CC 1690097326 DVNSCDAVJQNJCN-UHFFFAOYSA-N 452.328 2.411 30 10 JEEE C#CCSCCn1c(N2CCC3(CCN(C)C3=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1690186401 PILCPBLYDDNCAD-QHCPKHFHSA-N 461.632 2.134 30 10 JEEE C=C(Br)Cn1c(-c2cccn2C)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1690225866 ONZFISZDWZACJZ-HNNXBMFYSA-N 472.409 2.222 30 10 JEEE C=C(C)COCCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@@H](C(N)=O)C1 1690302421 DRQRXQYPXNQFQA-CQSZACIVSA-N 451.369 2.341 30 10 JEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1690317025 RZJCGAGHNFGIFN-UHFFFAOYSA-N 462.595 2.298 30 10 JEEE C=CCN(c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@]1(O)CCS(=O)(=O)C1)C1CC1 1690537729 SWHYEOZJGDRVDP-BTYIYWSLSA-N 450.536 2.262 30 10 JEEE C=CCn1c(COc2ccc(Br)cc2)nnc1N1CCN(CCOC)C(=O)C1 1690649617 DWEUPNMEGZVUAX-UHFFFAOYSA-N 450.337 2.101 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1690726645 HHJXWERTXJXHIL-QGZVFWFLSA-N 475.644 2.037 30 10 JEEE Cc1cc(C)n(C[C@@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CC(=O)NC(C)C)CCO2)n1 1693435391 BHROOOQAIWSYOX-NRFANRHFSA-N 462.558 2.060 30 10 JEEE CNC(=O)[C@@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(COC)CCOCC2)C1 1696929638 GUCJGQUAQBJVOQ-QHCPKHFHSA-N 452.559 2.222 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1c(C)nn(Cc2ccccc2)c1C 1705476928 HCSCBYUAPDYDPV-FUHWJXTLSA-N 469.615 2.256 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CC(O)(CC)CC)[C@H]1CCS(=O)(=O)C1 1705559973 COYBPGHAPQFRSN-HNNXBMFYSA-N 484.420 2.214 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1Cc1nc(C)cs1)[C@H]1CCS(=O)(=O)C1 1705563481 YMXUKHCTWKGWHU-HNNXBMFYSA-N 462.988 2.433 30 10 JEEE C#CCN(c1nnc(-c2csc(N3CCOCC3)n2)n1CCC=C(C)C)[C@H]1CCS(=O)(=O)C1 1705566784 RBQLSGNBQIISKL-SFHVURJKSA-N 490.655 2.221 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CCO[C@@H]1CCCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1705569365 FXEPALPIEMTFGM-BAGYTPMASA-N 471.627 2.486 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H]1CCOC[C@H]1OC 1705621026 OLEZFKKYILOBHQ-PZJWPPBQSA-N 455.559 2.285 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@]1(N(C)C)CCSC1 1705624601 IAFYMQWJMYFSTD-HSZRJFAPSA-N 457.600 2.240 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H](OC)C(C)(C)C)CC1 1705640269 LVGCYJNLSZKGGO-PMACEKPBSA-N 490.649 2.403 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCC3(CCCCC3)O2)CC1 1705644389 OZKKRVMUEDCEOG-FQEVSTJZSA-N 470.618 2.264 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OC)n2CCc2nnc(C)s2)CC1 1705651139 LODRHVQXHBLFOG-UHFFFAOYSA-N 495.609 2.234 30 10 JEEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)NC2CCCCC2)CC1 1705721164 NGKUJXFBRBKWHB-MRXNPFEDSA-N 452.625 2.130 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nncn1CC 1705857093 PKNFTVBLMGJSBS-GOSISDBHSA-N 471.587 2.041 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@]1(O)CCN(C)C1 1705884533 QWSHVBVAMMNCJI-CYFREDJKSA-N 478.638 2.098 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC[C@H](CN3CCCC[C@@H]3C)C2)nnc1[C@@]1(OCC)CCOC1 1705909153 PBFXTTLGAGVWOZ-BPYKYCOYSA-N 474.650 2.323 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCCN(CCC)C(=O)C2)cc1 1705911184 APVFJFXQVAPNEH-HXUWFJFHSA-N 487.626 2.242 30 10 JEEE C=CCOc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2C[C@@H](C)[C@@H](C)C2)cc1 1705912074 YIFIPTVXSLVQPY-LVCYWYKZSA-N 475.615 2.316 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1cc(C2CC2)ccc1F 1706870357 ALXSCYYBWGMDJN-ZUOKHONESA-N 450.515 2.395 30 10 JEEE CN(c1nnc(-c2cccc(C#N)c2)n1CCC1CCOCC1)C1CCN(S(C)(=O)=O)CC1 1711027874 DEGHLJXTEUMQMH-UHFFFAOYSA-N 472.615 2.494 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2CC2([S@](C)=O)CC2)c1 1722306824 FVBGDBYMMZPLPY-XIFFEERXSA-N 462.579 2.231 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3csc(C)n3)n2Cc2ccn(C)n2)c1 1722307943 ZKSCKVZQZGMCRI-UHFFFAOYSA-N 460.567 2.472 30 10 JEEE C#CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@@H](CC(N)=O)C1 1722328705 XKLAVMOAKXQXHV-KRWDZBQOSA-N 457.604 2.052 30 10 JEEE C#CCN(C)c1nnc(-c2ccc(F)cc2Br)n1CCS(=O)(=O)NC(C)C 1722347158 DZZVDIPBAXLOOQ-UHFFFAOYSA-N 458.357 2.244 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H]1CCCc2ccccc21)[C@H]1CCS(=O)(=O)C1 1722357758 ABPVJWRPAFZSSQ-UXHICEINSA-N 469.611 2.163 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCCc1nc(C)no1 1722380098 CUIVYOIBRGGFHW-UHFFFAOYSA-N 470.537 2.462 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccc3)n2C[C@@H]2NC(=O)CC2(C)C)n1 1722428352 VECAMBCROVWCQP-NRFANRHFSA-N 461.570 2.343 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CCCOCC2CCOCC2)CC1 1722445789 CUCMBRXZQCNTKC-UHFFFAOYSA-N 466.586 2.139 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(C)C)CC1 1722506259 DSCKTGIBEVKUBT-HBMCJLEFSA-N 481.663 2.465 30 10 JEEE C=CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1722608138 WFAVGKBNZGDCNH-HBMCJLEFSA-N 460.623 2.101 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2C[C@@H](F)COC)C1 1722713846 JSKHQVQWHFJDDO-SJORKVTESA-N 456.522 2.441 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@H](C)[C@@H](OC)C1 1722726879 GLGFBIIBFKXQTD-YJBOKZPZSA-N 472.571 2.056 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1722731331 KIOYWAGCKCLLMN-QUCCMNQESA-N 455.559 2.367 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCN(Cc2cc(C)no2)CC1 1722749170 FUPWVJYCRGQPJO-UHFFFAOYSA-N 486.598 2.173 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1OCC(F)(F)F 1740532347 DSAIHFCKZPLQQN-KGLIPLIRSA-N 459.494 2.336 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)c1ccc2c(c1)OCCO2 1740532504 HGWLZZVXGMWAQE-CVEARBPZSA-N 461.588 2.095 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2Cc2ncnn2C(C)(C)C)CC1 1740708402 OCYJVTFKWFLGNF-UHFFFAOYSA-N 466.615 2.291 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CC)Cc1ccc(C(=O)N(C)C)cc1 1740717108 JXFOTNBHHJZTIV-FQEVSTJZSA-N 489.667 2.275 30 10 JEEE C#CCSCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCOC[C@@H]1C 1740719979 NZIJJMWGDNSVIE-NRFANRHFSA-N 454.644 2.234 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1740757259 NTFWUTWWNRAPBP-NSHGMRRFSA-N 462.620 2.362 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1740767168 MZJXFSCVJDXLGE-FXAWDEMLSA-N 496.659 2.072 30 10 JEEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(CC(=O)N2CCN(CC)CC2)CC1 1740786538 HICBHQBESBZRSH-GMAHTHKFSA-N 474.650 2.349 30 10 JEEE C=CCN(Cc1cccs1)c1nnc(-c2cnn(C)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1740922084 UCGHIJXMUQWDEV-INIZCTEOSA-N 461.617 2.214 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC[C@@H]1CCO[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1748815284 OFJZVXZCAYWZDB-ZRNYENFQSA-N 450.605 2.352 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccccc1S(=O)(=O)N(C)C 1748867882 NXSFCSIEUYMYDV-RUZDIDTESA-N 499.637 2.080 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H]2CCOC[C@@H]2C)CC1 1748972400 HZMYDAKAFLVXHO-AZUAARDMSA-N 471.005 2.289 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC[C@@H]2CCOC2)CC1 1749001217 MJQDRXRULGONPC-LJQANCHMSA-N 499.015 2.254 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2CCCN2C[C@H](C)O[C@@H](C)C2)CC1 1749005953 CDMKGGLRFAEBIL-SFTDATJTSA-N 494.640 2.419 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3noc4c3COCC4)n2CC[C@@H](OCC)C(C)C)CC1 1749008829 HBXGXYZJVCGFML-HXUWFJFHSA-N 484.601 2.423 30 10 JEEE C=CCCOCCn1c(-c2cccc(C)n2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1749454590 JKZVMJYRYFFJLS-UHFFFAOYSA-N 467.618 2.376 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(Cc2csc(C)n2)CC1 1749655984 WDGQFWDNCHSGAL-UHFFFAOYSA-N 482.570 2.243 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCC(C(=O)N2CCCC2)CC1 1749664278 JDJRAGYNKPIJIL-UHFFFAOYSA-N 452.559 2.095 30 10 JEEE C=CCS(=O)(=O)CCn1c(CSc2ccc(C)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1 1749740491 VXAXKKFKWVDRQO-OAQYLSRUSA-N 463.629 2.181 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@](C)(O)c1ccco1)[C@@H]1CCS(=O)(=O)C1 1760192070 QARJEEHERQJOEH-YKSBVNFPSA-N 468.579 2.191 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3CC)n2CCc2cn[nH]c2)CC1 1760272886 CUXJUIRHJRJJOP-UHFFFAOYSA-N 461.570 2.351 30 10 JEEE C=C(C)COCCn1c(-c2ccccc2OC)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1760354667 JKLGCQQKCRNGEJ-UHFFFAOYSA-N 470.574 2.121 30 10 JEEE C=CC1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCS(=O)(=O)N(C)C)CC1 1760403949 MMQLROSGMGZMAT-UHFFFAOYSA-N 481.022 2.155 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2noc(C)n2)C1 1760412673 PKKCQJMFQQYPOP-CVEARBPZSA-N 450.565 2.052 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCN(c2ncccc2F)CC1 1760517686 VIRGNTIUGJBFCL-UHFFFAOYSA-N 480.504 2.406 30 10 JEEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)Cc1ncc(CC)s1 1760523881 KCPOFUNHDNGFPO-UHFFFAOYSA-N 481.630 2.410 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(Cc2cccs2)CC1 1760559547 QHQOGAVAPPTKJP-GOSISDBHSA-N 451.618 2.114 30 10 JEEE CCc1ccccc1OCc1nnc(N2CCC(C#N)CC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1762653640 ARXBOSXFXNPVPW-IBGZPJMESA-N 472.615 2.441 30 10 JEEE CC[C@H](C)[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1)OC 1763464202 FCVGUAFGFIIVCT-QRFRQXIXSA-N 453.547 2.004 30 10 JEEE CN(C)S(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C[C@H]2CCOC2)C1 1766943752 AQNDXMJIDFIVMI-WOJBJXKFSA-N 472.615 2.351 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)COc3cccnc3NC(=O)N[C@H](C(=O)O)C(C)C)cc21 1858806976 HZFZROKOYLVVCX-NRFANRHFSA-N 482.493 2.485 30 10 JEEE COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2CCCNC=O)cc1 1862573585 GELPSOVQNFXPOH-OAQYLSRUSA-N 482.489 2.205 30 10 JEEE CC[C@](C)(NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(=O)N1CCC(C(N)=O)CC1 1868794877 HIBLOVQZJLEGML-JPYJTQIMSA-N 459.616 2.034 30 10 JEEE COc1ccc(CCN2C[C@H](C(=O)Nc3c(C#N)nnn3-c3cccc(C)c3)CC2=O)cc1OC 1870150095 YGNNEBJGECSWFF-GOSISDBHSA-N 474.521 2.494 30 10 JEEE CCOC(=O)c1ccc(N2C[C@@H](C(=O)Nc3c(C#N)nnn3-c3ccc4[nH]ncc4c3)CC2=O)cc1 1870150329 BZBHAIPGKKGITC-INIZCTEOSA-N 484.476 2.184 30 10 JEEE N#Cc1ccc(COc2cn(CCOCCO)c(CN(CCO)Cc3ccccc3)cc2=O)cc1 1870350304 YXBPEEPWJHVIIQ-UHFFFAOYSA-N 477.561 2.302 30 10 JEEE C=CCn1cc(OCC(=O)NC[C@@H]2CCCO2)c(=O)cc1CN1CCN(c2ccc(F)cc2)CC1 1870541366 COLKCHSWUJJSDC-QHCPKHFHSA-N 484.572 2.170 30 10 JEEE C=CCn1c(C(=O)N(CC)CCO)cc2c(N3CCN(c4ccccc4OC)CC3)ncnc21 1873562753 RCLCMZBOICRGAK-UHFFFAOYSA-N 464.570 2.407 30 10 JEEE N#Cc1ccnc(O[C@@H]2CCN(C(=O)C3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)C2)c1 1890039473 QIIQEVDYULJGLF-LJQANCHMSA-N 458.515 2.173 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)[C@H](O)C1 2255608954 CECAXPBRVXKOAV-HUUCEWRRSA-N 452.382 2.147 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1COCCN1C(=O)c1ccsc1B1OC(C)(C)C(C)(C)O1 2255641401 RCTMEBHNEVOKFJ-CQSZACIVSA-N 452.382 2.413 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](NC(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)s3)CO[C@H]2C1 2267286796 RCBJTFXGAOQQBQ-KKUMJFAQSA-N 464.393 2.411 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCCN(C)C(=O)OC(C)(C)C 2267728411 UWDQCDMIEXTMPE-UHFFFAOYSA-N 470.397 2.140 30 10 JEEE C[C@@H]1C[C@H](CNC(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2281808829 DROGREFUSDTILE-HZPDHXFCSA-N 462.400 2.485 30 10 JEEE C[C@@H]1CCN(C(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)[C@@H](CNC(=O)OC(C)(C)C)C1 2282034983 OZICPJAFFBUYPH-HZPDHXFCSA-N 462.400 2.485 30 10 JEEE CC1(C)OB(c2cnc(C(=O)NC[C@H]3CN(Cc4ccccc4)CCO3)c(F)c2)OC1(C)C 2282036473 JTADRKQGQHUMNY-IBGZPJMESA-N 455.339 2.151 30 10 JEEE Cn1cc(C(=O)NC[C@@H]2CCN(C(=O)OC(C)(C)C)C2(C)C)nc1B1OC(C)(C)C(C)(C)O1 2282036870 OPIFPUNBVHJCEL-HNNXBMFYSA-N 462.400 2.485 30 10 JEEE CC(C)(C)OC(=O)N(CCO)[C@H]1CCCN(C(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282060449 XBVGXVLXARBKGA-KRWDZBQOSA-N 464.368 2.413 30 10 JEEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)[C@@H]2CC[C@H]21 2282497139 MBZARGOVRXVRPS-HZPDHXFCSA-N 499.464 2.356 30 10 JEEE C[C@H]1[C@H](NC(=O)C(F)(F)F)CCCN1S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282498103 YZKBGPZVUFQOCB-GXTWGEPZSA-N 496.382 2.409 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2CN(Cc3ccccc3)CC[C@H]2C1 2282534065 QTFYORVTAFDNBQ-PMACEKPBSA-N 450.392 2.313 30 10 JEEE CC(C)(C)OC(=O)N1CC([C@@H](F)CNC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2282534901 YHKPGGIXTQCITI-INIZCTEOSA-N 467.322 2.455 30 10 JEEE CC(C)CN(C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)C1CN(C(=O)OC(C)(C)C)C1 2282552081 HKAIDLILWYYLGN-UHFFFAOYSA-N 462.400 2.437 30 10 JEEE Cn1cc(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 2282553890 VOFGHSRPVSRGDG-ZOBUZTSGSA-N 460.384 2.095 30 10 JEEE Cc1c(C(=O)N2C[C@@H](C)[C@H](CNC(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282555018 MQWUCIMWGYDEHZ-GDBMZVCRSA-N 462.400 2.261 30 10 JEEE CN(C(=O)OC(C)(C)C)C1(C(N)=O)CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(Cl)s2)C1 2282613028 IXNPJXZDWUOSNV-UHFFFAOYSA-N 499.826 2.248 30 10 JEEE Cc1c(B2OC(C)(C)C(C)(C)O2)cccc1C(=O)N[C@H](C)C1(O)CN(C(=O)OC(C)(C)C)C1 2282693601 NOZXPHSSPOSLHC-MRXNPFEDSA-N 460.380 2.394 30 10 JEEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@H](COCc3ccccc3)C(=O)O)c(F)c2)OC1(C)C 2284395564 MVFQTENHNKAXBK-GOSISDBHSA-N 479.335 2.073 30 10 JEEE C[C@H](OCc1ccccc1)[C@@H](NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1)C(=O)O 2284411372 JLECRVIIYUOGKC-OXJNMPFZSA-N 475.372 2.323 30 10 JEEE Cn1nc(C(=O)N2C[C@@H]3C[C@]3(CNC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2288261914 WSJLYQBPMXXWKN-XMHCIUCPSA-N 480.802 2.360 30 10 JEEE COc1ccc(N2C[C@H](c3nnc(SCC(N)=O)n3N=Cc3cccc(OC)c3)CC2=O)cc1 2325880665 HDTXKTPFXCWBRE-MRXNPFEDSA-N 480.550 2.275 30 10 JEEE CC1=C(B2OC(C)(C)C(C)(C)O2)CN(C(=O)[C@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C)CC1 2335454338 DBBKGYPQUBFXNL-INIZCTEOSA-N 472.413 2.105 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]1CNC(=O)c1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1O 2339425959 KXOGQZALIUQYPO-WBMJQRKESA-N 450.316 2.474 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C[C@H]1C2 2362352355 CGOVSJNSJYTEBV-ARFHVFGLSA-N 460.384 2.237 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2[C@@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)n1C 2362479973 CLFKMDYQXRAXRC-OWCLPIDISA-N 460.384 2.013 30 10 JEEE CCOC(=O)c1c(C)oc(NC(=O)[C@@H](CC)n2c(N)nnc2SCC#N)c1C(=O)OCC 40173528 HUWMFLXOROMVBF-LLVKDONJSA-N 464.504 2.321 30 10 JEEE O=C(NCC#CCOc1cccc2cccnc12)c1ccc(S(=O)(=O)N2CCOCC2)cc1 90742999 RZEYGMRXLIJIJJ-UHFFFAOYSA-N 465.531 2.068 30 10 JEEE O=C(O)CCCC(=O)N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(OC(F)(F)F)cc1 254849766 UDOBRHAEFPITPI-OLZOCXBDSA-N 466.459 2.442 30 10 JEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC3CCN(C(=O)CC(F)(F)F)CC3)CC2)cc1 608881311 UXMAHGUGCXCBTQ-UHFFFAOYSA-N 486.516 2.019 30 10 JEEE C#CCN(C(=O)c1ccc2c(c1)C(=O)N(c1ccc(OCC)cc1)C2=O)[C@@H]1CCS(=O)(=O)C1 729331598 DJVIKLVDPVEFIK-GOSISDBHSA-N 466.515 2.148 30 10 JEEE Cc1ccc2c(c1)nc(CNC(=O)C1CCN(S(=O)(=O)c3ccc(C#N)cc3)CC1)n2C 1128198831 BDGDQGHUJSFFDK-UHFFFAOYSA-N 451.552 2.471 30 10 JEEE COc1cc(CN2CC[C@@H](NC(=O)N3CCN(c4cnccc4C#N)CC3)C2)cc(OC)c1 1223528146 HLNJJJNQDXLSFS-HXUWFJFHSA-N 450.543 2.077 30 10 JEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccc1N1CCOCC1 1286325027 UPNBFSRLOLDRNK-OAQYLSRUSA-N 471.627 2.457 30 10 JEEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1286347786 BVUQYOMJTLHIJG-GOSISDBHSA-N 461.570 2.348 30 10 JEEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ccc(C[S@](C)=O)cc1 1286375152 URCWPEPDRYSNRC-XIFFEERXSA-N 463.611 2.448 30 10 JEEE C#CCN(c1nnc(C(C)C)n1CC1(N2CCSCC2)CCCC1)[C@@H]1CCS(=O)(=O)C1 1286386449 ZYAJAIQKOBWEEM-LJQANCHMSA-N 465.689 2.390 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H](C)Cc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1286389721 PKWYTILMICFNOC-UYAOXDASSA-N 480.594 2.249 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CCSCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1286390931 AQYAEDCERNLYIS-MRXNPFEDSA-N 473.546 2.186 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CC(C)(C)c1ccc2c(c1)OCCO2 1286460798 JSSGTKBDSQHNSJ-UHFFFAOYSA-N 467.570 2.349 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2cccc(OC)c2)C1 1286509623 UZVBCCRXJLZNOM-AZUAARDMSA-N 476.624 2.133 30 10 JEEE C#CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1286510345 PRNNWVYTZLOESF-XLIONFOSSA-N 455.584 2.195 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCC2(CC1)COC(=O)N2)C(C)C 1286751330 PBDIFJUUDHZDLN-HXUWFJFHSA-N 468.606 2.456 30 10 JEEE C=CCNC(=O)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCO[C@H](COC(C)C)C1 1286789336 DVCTVCLHJHFAMJ-IBGZPJMESA-N 452.559 2.283 30 10 JEEE C=CCOc1ccccc1Cn1c(Cc2csc(C)n2)nnc1N1CCN(S(C)(=O)=O)CC1 1286799366 UMNVLKNJOBJBQU-UHFFFAOYSA-N 488.639 2.329 30 10 JEEE C[C@]1(C#N)CCCN(c2nnc(CNC(=O)c3cccs3)n2CCN2CCSCC2)C1 1288981612 GCMRTDOKBXZMHJ-OAQYLSRUSA-N 459.645 2.448 30 10 JEEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCC(C)(F)F)[C@H]1CCS(=O)(=O)C1 1300482522 GJUCARBUJRNPMV-INIZCTEOSA-N 486.566 2.021 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1cccc(C(C)(C)O)c1)[C@@H]1CCS(=O)(=O)C1 1300487506 KGPDPWBKHKTQEO-LJQANCHMSA-N 453.568 2.176 30 10 JEEE C#CCN(c1nnc(C2CC2)n1CCCCNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1300493831 WHIWTTGITWPFML-KRWDZBQOSA-N 451.593 2.087 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCCN1S(C)(=O)=O 1300647242 CRHMKAWAXQKKCY-TZIWHRDSSA-N 475.590 2.375 30 10 JEEE C#CCN1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CCOCCCC)CC1 1300698081 MSRKSMOWITZNHQ-UHFFFAOYSA-N 463.586 2.247 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@]2(O)CCO[C@H]2C)CC1 1300719270 UPJYXWMPDLHVEO-HJPURHCSSA-N 457.962 2.104 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2sc(C)nc2C)C1 1301556765 JGFQKZMDUUTCOV-IRXDYDNUSA-N 451.618 2.278 30 10 JEEE CC(C)NC(=O)Nc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CC[C@@](F)(C#N)C2)cc1 1303459309 ATVRSZPEOAAGBZ-HSZRJFAPSA-N 468.537 2.421 30 10 JEEE C[C@@H](CN1CCOCC1)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(C#N)CC1 1303754219 GSIDEZOILKDZLW-SFHVURJKSA-N 472.615 2.057 30 10 JEEE CC[C@@H](C#N)Oc1cc(CNS(=O)(=O)c2ccc(F)c(S(C)(=O)=O)c2)ccc1OC 1309182550 GPDBGSAUXVFZKA-AWEZNQCLSA-N 456.517 2.397 30 10 JEEE CCN1CCN(C[C@@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCOC[C@@H]2C)CC1 1313954133 AQLOPXUAMXHZIG-RTWAWAEBSA-N 467.618 2.227 30 10 JEEE COCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1316068152 GUUUQHPIMOVPFQ-UHFFFAOYSA-N 469.590 2.452 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1Cc1cccc(CO)c1)[C@H]1CCS(=O)(=O)C1 1358965074 NHXKJZJCDRDJOC-FQEVSTJZSA-N 456.593 2.098 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)N2CCCC2)n1CCNC(=O)c1ccco1 1359015395 RWXOMNKZXBBIHT-UHFFFAOYSA-N 464.501 2.316 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H](C)N1CCOCC1 1359024968 ZIGOLFHCTMIQFN-LEWJYISDSA-N 490.649 2.199 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4ccccc4n3)n2CCCC(=O)N(C)C)CC1 1359042379 DFLVEPSPAAHYBA-UHFFFAOYSA-N 473.581 2.328 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cn4ccccc4n3)n2CC(C)(C)OCC)CC1 1359046108 FIQOYKNXAWVHIH-UHFFFAOYSA-N 463.586 2.298 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C1CCN(CCC)CC1 1359083187 DDJWBKWLCIMLMT-OAHLLOKOSA-N 460.442 2.399 30 10 JEEE C=CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1359209550 QPUYDZUCXRZBPO-AWEZNQCLSA-N 471.425 2.482 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CC(C)(C)C(=O)NCC)C1 1359318703 KLPNAQWPXHXTGT-QGZVFWFLSA-N 489.646 2.182 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1 1359330756 BZGZTFZXLHUEKY-QHCPKHFHSA-N 471.558 2.486 30 10 JEEE CC(C)(Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@](C)(C#N)C1)N1CCOCC1 1360780241 GCNBMAWZHREIPP-HSZRJFAPSA-N 452.563 2.166 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc(CCNC(=O)N(C)C)cc2)s1 1470980737 MSJMKNUULRGNFM-UHFFFAOYSA-N 450.586 2.207 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(CC)CC)n2C[C@@H]2CCCO2)c1 1507546083 DBAASJICNGJAKJ-FQEVSTJZSA-N 452.559 2.432 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1Cc1sccc1C)[C@H]1CCS(=O)(=O)C1 1507623710 WAOHUOVWYPYPTC-KRWDZBQOSA-N 463.629 2.241 30 10 JEEE C#CCN(c1nnc(Cn2ccc3ccccc32)n1C[C@H](C)COC)[C@H]1CCS(=O)(=O)C1 1507640364 QKCZGNIUBRFKFD-ICSRJNTNSA-N 455.584 2.190 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccnc(-n2cccn2)c1 1507663316 XCFFMURFMNUOID-UHFFFAOYSA-N 485.573 2.441 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCCO3)n2Cc2ccc(C)n(C)c2=O)n1 1507716853 NQXHCOPQGIUSKM-JOCHJYFZSA-N 479.585 2.058 30 10 JEEE C#CCN1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@@H]2CC=CCO2)CC1 1507731596 MZTCFBDFXNHKGP-NRFANRHFSA-N 470.618 2.493 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H](F)COC)CC1 1507733701 ITULSYIKFICAHV-LJQANCHMSA-N 470.549 2.098 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1507804536 GRABGXMSFGZDOL-QUCCMNQESA-N 465.645 2.383 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCN(CCOC)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1507811239 OWNRGCUMBWXRNV-ZFGGDYGUSA-N 463.623 2.068 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1507914229 IYAQCVFOAGDWHP-MRXNPFEDSA-N 469.656 2.121 30 10 JEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 1507968108 QCHMGIMWKNBDQL-FPOVZHCZSA-N 493.674 2.248 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H]2CCCCO2)nnc1N1CCO[C@H](CNC(C)=O)C1 1508102783 AOYDUYNMBYJBSJ-IFMALSPDSA-N 455.559 2.474 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(CC(C)C)n2C[C@@H]2CCC[C@H]2N2CCCS2(=O)=O)C1 1508121833 AOLNGCFXSGJCQY-XUVXKRRUSA-N 451.637 2.462 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](SC)C(C)(C)C)C1 1508122541 FQMAQJGGCYHKIL-KURKYZTESA-N 487.692 2.170 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2c[nH]c3ccccc23)nnc1N1CCCN(CC)C(=O)C1 1508139243 FBAROMHIOVPTGC-UHFFFAOYSA-N 456.572 2.086 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1CC1(C(N)=O)CCOCC1 1508642145 FJYUBBSWOURHLY-QMHKHESXSA-N 491.568 2.074 30 10 JEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1Cc2ccccc2O[C@H](C)C1 1539071790 DUMCUFGCUPRWBT-NQIIRXRSSA-N 473.599 2.202 30 10 JEEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@]1(N2CCOCC2)CCSC1 1539146121 YQFJSPYIICZNKJ-QHCPKHFHSA-N 489.045 2.139 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1C[C@](C)(O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1539205320 GQCFCLYYVRRPAP-VGSWGCGISA-N 480.537 2.334 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCCS1)[C@H]1CCS(=O)(=O)C1 1539206915 XAEGRAYISWOKKO-ROUUACIJSA-N 461.569 2.376 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1539490745 HMQVMQFDVHQBIQ-KGLIPLIRSA-N 454.478 2.448 30 10 JEEE C=C(Br)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1539606718 OGTZCJOTEIJZHS-SFHVURJKSA-N 481.376 2.209 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H](C)CN1CCOCC1 1539659461 YDOXWZOISGYMEB-LJQANCHMSA-N 451.579 2.292 30 10 JEEE C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1539683293 MJLBSSIHPXWDJB-GOSISDBHSA-N 466.590 2.071 30 10 JEEE C=C(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1539689033 ZVQOOHRUCHCKOY-KRWDZBQOSA-N 484.601 2.336 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CCOCC 1540870678 UABUZTUBNWYHGI-KRWDZBQOSA-N 450.584 2.168 30 10 JEEE N#Cc1cncc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(Br)cn3)C2)c1 1561143904 GYNAUUDOEIGWST-ZDUSSCGKSA-N 450.318 2.150 30 10 JEEE C#CCN(c1nnc(C(C)C)n1Cc1ccnc(N2CCCCC2)c1)[C@@H]1CCS(=O)(=O)C1 1588029350 GPPVLRZGCFRWHI-HXUWFJFHSA-N 456.616 2.462 30 10 JEEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(F)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1588034972 NVZKSUPAYRMFBY-WZONZLPQSA-N 494.564 2.272 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1CCCOCC(C)C)[C@H]1CCS(=O)(=O)C1 1588045560 MQSBLDWORIUWFG-FQEVSTJZSA-N 488.610 2.406 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1Cc1ccc(NC(C)=O)nc1)[C@H]1CCS(=O)(=O)C1 1588059482 OUAHHWMCEKZTRB-NRFANRHFSA-N 496.568 2.036 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1-c1cnn(C)c1 1588228149 BOSGAPHLWXOLNK-HXUWFJFHSA-N 462.579 2.092 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccccc2OCC=C)CC1 1588733040 LCJYTLHOQYKLDL-UHFFFAOYSA-N 457.538 2.294 30 10 JEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2cc(F)ccc2OC)CC1 1588975969 OAVDAIJOHDYMQY-UHFFFAOYSA-N 474.606 2.253 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)OCC)CC1 1589568764 MGTDLXBDFWKRGA-TZIWHRDSSA-N 457.579 2.399 30 10 JEEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 1589708472 OCEQNTWZEUSITL-OAHLLOKOSA-N 464.548 2.420 30 10 JEEE C=C1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CC2(C(N)=O)CCOCC2)CC1 1594035869 NFGLHYCFMOTIRH-UHFFFAOYSA-N 471.558 2.409 30 10 JEEE C=CCN(c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(=O)NCC(F)(F)F)C1CC1 1595051208 VOVOTYWWAPAIMN-UHFFFAOYSA-N 461.448 2.025 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1C[C@H]1NC(=O)CC1(C)C 1595085231 RYBZBJZYOWVYHW-HXUWFJFHSA-N 461.570 2.493 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(OC[C@H]2CCOC2)CC1 1595496853 IUSBWTOSTNMPFE-KRWDZBQOSA-N 470.530 2.177 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC(=O)NCC(F)F 1596821179 BVYJTNNJJQSPOB-AWEZNQCLSA-N 469.537 2.370 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc(CNC(=O)c2cccs2)n1Cc1cccc(CS(C)(=O)=O)c1 1596849482 HFMZSJUCNFCIOZ-INIZCTEOSA-N 486.623 2.458 30 10 JEEE Cc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3c(C#N)c(C)nn3C)CC2)c(C)c1 1612068453 HMACVIIPVUCFOF-UHFFFAOYSA-N 475.601 2.322 30 10 JEEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H](CCC)C(=O)N2CCc3sccc3C2)n1 1631035617 MNLFYDMUPWAGHJ-FQEVSTJZSA-N 457.600 2.489 30 10 JEEE CN(CCNC(=O)Nc1ccc(Br)c(C#N)n1)S(=O)(=O)c1ccc(F)cc1 1663862420 DVDDRNJAKGJYEL-UHFFFAOYSA-N 456.297 2.297 30 10 JEEE C#C[C@H](C)NC(=O)Nc1ccc(N2CCOCC2)c(S(=O)(=O)Nc2ccccc2OC)c1 1667015739 VCWHFQPIJYNLLT-INIZCTEOSA-N 458.540 2.476 30 10 JEEE N#Cc1ccc(N2CCN(C(=O)N[C@@H]3CC(=O)N(CCOc4ccccc4)C3)CC2)c(F)c1 1679280468 AJFKFBIDHGHQGW-LJQANCHMSA-N 451.502 2.209 30 10 JEEE C#C[C@H](NC(=O)N1CCCC[C@H]1CNC(=O)CCNC(=O)OC(C)(C)C)C1CCOCC1 1684188837 YDLVTRYFFJQFRC-OALUTQOASA-N 450.580 2.010 30 10 JEEE C#CCN(c1nnc(-c2ccccc2F)n1CCCN1CCCCC1=O)[C@@H]1CCS(=O)(=O)C1 1689985920 FKCYWAFTWCZWOZ-GOSISDBHSA-N 473.574 2.114 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@]1(N(C)C)CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1689985957 FWRMPCBUAIGRAT-LEEZEASISA-N 470.643 2.477 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(=O)NC1CCCCC1 1690019196 COOTWXIERYOLEM-OAQYLSRUSA-N 498.628 2.498 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2ccncc2)n1Cc1ccccc1CN1CCC[C@H]1CO 1690022618 LSQMPRNCGQQMRQ-VWLOTQADSA-N 454.578 2.342 30 10 JEEE C#CCN(CCOC)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc2c(c1)COCC2 1690106363 SGFHVQLYZBWBRK-UHFFFAOYSA-N 465.579 2.477 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2C[C@@]2(O)CCSC2)CC1 1690117343 DRIBNOUBILYZOV-DEOSSOPVSA-N 471.627 2.366 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCCc1nc2ccccc2[nH]1 1690190183 NJXYICMZHOGDRM-KSFYIVLOSA-N 455.588 2.390 30 10 JEEE C=C(Br)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(N2CCCC2=O)CC1 1690218345 CTTJNGGBAIPIMC-UHFFFAOYSA-N 474.363 2.425 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCN1CC 1690577810 NMIRRVXAPJYQNS-QUCCMNQESA-N 494.687 2.349 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@@H](n2cncn2)C1 1690663647 COGUSBMYSCGGKS-MRXNPFEDSA-N 456.938 2.342 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1690667091 PSGPFRWUXVFJKI-UHFFFAOYSA-N 462.945 2.494 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(CC(=O)Nc2cccc(C)c2C)CC1 1690668218 WXBUMAVMDCKAAS-UHFFFAOYSA-N 488.596 2.020 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ccc(Cl)cc2)C1 1690699981 MDCGOTQKHHXXIL-UXHICEINSA-N 496.033 2.288 30 10 JEEE C/C(=C\c1ccccc1)CN(C)c1nnc(C(=O)NC(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1690753113 ZXTZVIDPZMKGKB-YPGFRNPWSA-N 477.569 2.482 30 10 JEEE CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCS(=O)(=O)C2)C1 1695407985 DTBBVBRQOAGCOW-TZIWHRDSSA-N 484.626 2.384 30 10 JEEE CO[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1697123465 AUBBVTUSYAYLGQ-GDBMZVCRSA-N 466.464 2.268 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCn1cc([C@@H]2CCOC2)cn1 1705494591 CDFFPMWSOGMQPD-ZVDOUQERSA-N 499.616 2.445 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@@H]1CCCN1CC)[C@H]1CCS(=O)(=O)C1 1705563690 CQVNVQARUUJRIX-OALUTQOASA-N 457.600 2.065 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OCC(C)C)cc1 1705599104 VHAHDISXOLMHMS-HSZRJFAPSA-N 499.637 2.157 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](c1ccc(C)cc1)N1CCCC1 1705627444 HCEYDBJPAPMEQJ-FGZHOGPDSA-N 450.587 2.461 30 10 JEEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCN2CCSCC2)CC1 1705642145 ISSMIAYVXQQTPW-UHFFFAOYSA-N 454.644 2.278 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCOC[C@H]1OC 1705670160 KLPNCQCFLYWTJA-XZDHIHRUSA-N 487.626 2.239 30 10 JEEE C=C(C)Cn1c(N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1705728783 XFMCQVSENBKZBJ-RXVVDRJESA-N 455.625 2.003 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1705786630 UOGHFPKDXLBELK-QGZVFWFLSA-N 481.667 2.217 30 10 JEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1705830349 NJHDGMWNBFMTFX-RTBURBONSA-N 451.637 2.084 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CCC[C@H](N2CCCC2=O)C1 1705935457 SBVUFNXKLALLNQ-FQEVSTJZSA-N 487.626 2.070 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1705935509 UCLIEGQWEAQHEY-NRFANRHFSA-N 487.670 2.468 30 10 JEEE Cc1nc(CCn2c(-c3cccc(C#N)c3)nnc2N2CCC(NS(C)(=O)=O)CC2)cs1 1707768234 FINMJUJKPRGXKI-UHFFFAOYSA-N 471.612 2.342 30 10 JEEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCCC[C@@H]2C)CC1=O 1712485483 AAOUNTYBGZNVMI-FQEVSTJZSA-N 465.602 2.376 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1Cc1cccc(CO)c1)[C@H]1CCS(=O)(=O)C1 1722361295 GZTFQVSQDARBMZ-IBGZPJMESA-N 471.970 2.161 30 10 JEEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@H](C(C)C)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1722362714 OCGOQWRNANRWTQ-DENIHFKCSA-N 489.617 2.068 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1CCc1ccc(Cl)s1)[C@@H]1CCS(=O)(=O)C1 1722367280 MKEPGVZYVCNDRU-LSDHHAIUSA-N 455.005 2.366 30 10 JEEE C#CCN(c1nnc(COc2ccccc2OC)n1CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1722371260 VEIPIEVHKXVJGF-CQSZACIVSA-N 458.462 2.055 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](OC(C)C)c2ccccc2OC)CC1 1722437979 XRIQFQRFPUBZQB-IFMALSPDSA-N 466.586 2.159 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC1=CCCOC1 1722448196 OJFQZWAGMONYHG-UHFFFAOYSA-N 462.554 2.498 30 10 JEEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1722551517 AJPFGCIMZYNFSJ-NEWSRXKRSA-N 497.040 2.496 30 10 JEEE C=CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cnccn2)CC1)c1ccccc1 1722594019 DQHRGRRWDWYENF-PZJWPPBQSA-N 496.641 2.365 30 10 JEEE C=CCCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1722600935 DHVLZXWOUNOJCO-UHFFFAOYSA-N 482.585 2.246 30 10 JEEE C=CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1722609628 YTXOKMFFJPPYDZ-UHFFFAOYSA-N 481.022 2.346 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(N3CCCCC3)nc2)C1 1722711138 SBRWEMKYIQVICP-QUCCMNQESA-N 489.646 2.103 30 10 JEEE CC(=O)N1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2ccc(C#N)o2)CC1 1722794316 FTLHLCCPCNNVLK-CALCHBBNSA-N 469.546 2.230 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2ccc(F)cc2F)CC1 1722867303 GCEDSOWYRGZIPO-BEFAXECRSA-N 494.568 2.217 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1Cc1ccc(N2CCCCCC2)nc1 1723912083 IETVFJSKQQWULE-QZTJIDSGSA-N 474.635 2.450 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2cccnc2)n1C[C@H]1CCS(=O)(=O)C1 1730749986 GGZOIWVGKQSAAW-HXUWFJFHSA-N 466.567 2.299 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CCN(C)[C@H](C)CC)c1 1740563260 RXTUDFBZFBMQPL-LJQANCHMSA-N 465.602 2.301 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CCOc2ccccc21)[C@H]1CCS(=O)(=O)C1 1740615450 FCAPOSMVGRHQES-ICSRJNTNSA-N 499.637 2.390 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1C[C@H](C)COC)[C@H]1CCS(=O)(=O)C1 1740617230 ODWSQWGGGWBKDR-BZSNNMDCSA-N 464.563 2.466 30 10 JEEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2CCCN2CCCO[C@H](C)C2)CC1 1740699244 ZHZHEICMDKFCSF-HSZRJFAPSA-N 480.657 2.328 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H](C)NC(=O)OC(C)(C)C)CC1 1740704073 HHMQCSLHBFRVBP-MRXNPFEDSA-N 455.563 2.152 30 10 JEEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C2CCOCC2)CC1 1740712159 YROPHVBJABGPGB-UHFFFAOYSA-N 489.667 2.016 30 10 JEEE C=CCCOCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(C(=O)OC)CC1 1740885152 ZNLBHZUPZXZJER-UHFFFAOYSA-N 466.542 2.174 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCNS(=O)(=O)CC 1740905133 KPQXEIFYPLDIOK-INIZCTEOSA-N 456.613 2.302 30 10 JEEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCN1C(=O)OC(C)(C)C)C1CC1 1740906415 OCDYHDHZCYBWRC-DOTOQJQBSA-N 468.624 2.443 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N(C)Cc1ccc(C(=O)NC2CC2)cc1 1740958238 LUYWDAXEGPQJCC-HXUWFJFHSA-N 452.559 2.351 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CC(C)C 1740992809 UEHPAIPVBDTVAS-QGZVFWFLSA-N 471.624 2.280 30 10 JEEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCN(CC)CCC(F)(F)F 1744696613 GIMGOBDRGWTWOQ-MRXNPFEDSA-N 465.528 2.492 30 10 JEEE C#CCN(c1nnc(C(C)C)n1Cc1ccc(OC)c(OC)c1OC)[C@H]1CCS(=O)(=O)C1 1748803367 XZXSMCMQYJDAHQ-KRWDZBQOSA-N 462.572 2.102 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2nc(C(F)(F)F)cs2)CC1 1748977768 CHRZQQJDGNKBOM-LJQANCHMSA-N 470.521 2.209 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCOc2cc(C)cc(C)c2)CC1 1749013982 APKVTSNDEUMKEU-OAQYLSRUSA-N 451.571 2.444 30 10 JEEE C#CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(C(=O)OCC)CC1 1749038565 UQJYUCXQENQKDI-IBGZPJMESA-N 457.556 2.436 30 10 JEEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(N(CC)C(=O)OC(C)(C)C)CC1 1749606198 PHQWSRLWTQORKK-OAHLLOKOSA-N 456.613 2.300 30 10 JEEE C=CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1749643564 VZSQJQQOSFGBCZ-UHFFFAOYSA-N 477.034 2.391 30 10 JEEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCS[C@H](C(C)C)C1 1749666581 MYHBACNQXTWOCI-KRWDZBQOSA-N 477.660 2.118 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1749727223 QFRXOCOTVQOENF-UHFFFAOYSA-N 460.604 2.130 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCCO3)n2C[C@](C)(O)CCOC)c1 1760128347 GEHKEAFEMSFQDH-HYBUGGRVSA-N 455.559 2.363 30 10 JEEE C#CCCCn1c(-c2ccc(OC)cc2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1760148777 MAFZNGWUWWGQFE-FQEVSTJZSA-N 450.587 2.500 30 10 JEEE C#CCN(c1nnc(-c2ccc3ccccc3n2)n1C[C@H](C)COC)[C@@H]1CCS(=O)(=O)C1 1760183976 FROJWWQMHDGFAI-PKOBYXMFSA-N 453.568 2.403 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(OC)c(OC)c1Cl 1760206071 QGYZWVJOPCIANC-KRWDZBQOSA-N 476.986 2.166 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CSc3ccccc3OC)n2C[C@]2(O)CCO[C@@H]2C)CC1 1760273345 PRMSJBRTELKISQ-IQGLISFBSA-N 499.637 2.085 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCC(=O)NCCC 1760290558 JGCAYIVBSKRJEV-HSZRJFAPSA-N 471.631 2.455 30 10 JEEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1760374069 HWWBQDXVIZLUHU-AWEZNQCLSA-N 457.387 2.308 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCC[C@@H](NC(C)=O)C1 1760518234 NGCDVYNHPRJGDJ-MRXNPFEDSA-N 491.390 2.123 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCS(=O)CC1 1760548462 GZLZGKJUGRXNOE-GOSISDBHSA-N 466.629 2.204 30 10 JEEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N(CCC#N)CC3CC3)n2C[C@@H]2CCOC2)c1 1768523292 FYVHEGHQJJOSCQ-SFHVURJKSA-N 458.588 2.362 30 10 JEEE COc1ccccc1OCc1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccc(C)n(C)c1=O 1770504207 ABBITHZUIWZORE-QHCPKHFHSA-N 452.490 2.363 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@H](C)[C@H](OC)C1 1772660170 TUMNIWCQORQGBJ-OXJNMPFZSA-N 462.572 2.178 30 10 JEEE CCN(CC)C(=O)COc1ccc(/C=C/C(=O)C(=O)N2CCN(c3ccccn3)CC2)cc1 1860634851 GQJIJWBBRSYQNH-JLHYYAGUSA-N 450.539 2.260 30 10 JEEE COc1cc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCN2CCOCC2)ccc1O 1862677450 DWJYYPLPKATMSZ-NRFANRHFSA-N 456.470 2.450 30 10 JEEE CC[C@@H](C)[C@@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1869930254 VSHHSOVWPJEBOJ-VGOFRKELSA-N 470.595 2.497 30 10 JEEE C=CCn1cc(OCC(=O)Nc2cc(C)cc(C)c2)c(=O)cc1CN1CCN(C(C)=O)CC1 1870722018 QVVAQAXDYKFWGC-UHFFFAOYSA-N 452.555 2.333 30 10 JEEE C=CCN=c1nc(N2CCN(C(=O)OCC)CC2)[nH]c(=Nc2cccc(C(F)(F)F)c2)[nH]1 1871497918 KSQNFYNHYCXBEJ-UHFFFAOYSA-N 451.453 2.354 30 10 JEEE COc1ccc(/C=N/n2c(SCC(N)=O)nnc2[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1 1874209991 ITSOIZFUHXITDB-LLXCYVELSA-N 464.551 2.262 30 10 JEEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)N3CCN(c4cc(-n5cccn5)ncn4)CC3)n[nH]2)c1C 1890355129 CJYDJUNTKUELFF-UHFFFAOYSA-N 472.557 2.404 30 10 JEEE CC(C)(C)OC(=O)N=c1[nH][nH]cc1C(=O)NCCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2180991701 PZPLXJFMRAKWOE-UHFFFAOYSA-N 456.352 2.450 30 10 JEEE CC(C)(C)OC(=O)N1Cc2nccn2C[C@H](C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C1 2181112261 MRIKSEYWTCLEEI-SFTDATJTSA-N 464.570 2.487 30 10 JEEE Cc1cc(CNC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)O)sc1B1OC(C)(C)C(C)(C)O1 2256626865 OWQONERSJMXTAR-DZGCQCFKSA-N 454.398 2.246 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)CC[C@@H]2CO)C1 2266536601 UHGHNYHQMSUMQV-NNZNXZITSA-N 465.591 2.417 30 10 JEEE CS[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn1C 2267266708 FHCWYDGTLJORSN-NVXWUHKLSA-N 465.425 2.405 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2ccsc2B2OC(C)(C)C(C)(C)O2)[C@H](CO)C1 2267456244 GWSOMVOMYRUNQY-GOEBONIOSA-N 466.409 2.395 30 10 JEEE C[C@@H]1CC[C@H](CNC(=O)C(F)(F)F)N(C(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2267489191 VOUGZAUAGSGASJ-VXGBXAGGSA-N 461.315 2.362 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H](CNC(=O)OCc2ccccc2)C(F)(F)F)n1 2267504232 PLDJZNUVFARTED-INIZCTEOSA-N 496.295 2.306 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCC[C@@H](C)NC(=O)OC(C)(C)C 2267517859 ZMJBUGMPJBYRSH-CQSZACIVSA-N 450.389 2.451 30 10 JEEE CN(C1CC(NC(=O)OC(C)(C)C)C1)S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2267704873 UDMMVHITNOHUQA-UHFFFAOYSA-N 467.397 2.057 30 10 JEEE CC1(CNS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2267709134 WJMKMYPWEWQZDY-UHFFFAOYSA-N 487.453 2.119 30 10 JEEE C=C(CS(=O)(=O)N1CC[C@@H]2OCCN(Cc3ccccc3)[C@H]2C1)B1OC(C)(C)C(C)(C)O1 2267723656 XKGLUZVZTGBUGL-SFTDATJTSA-N 462.421 2.479 30 10 JEEE CC(C)(C)OC(=O)NC1(CC(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)CCSCC1 2268656370 WPFFVIKHGJPITE-UHFFFAOYSA-N 484.453 2.378 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CN(c3nccc(B4OC(C)(C)C(C)(C)O4)c3F)C[C@H]2[C@H]1CO 2280764519 RWVXDEZOKILYFJ-ZMSDIMECSA-N 463.359 2.184 30 10 JEEE Cc1nn(C)c(C(=O)NCC23CC(CN2C(=O)OC(C)(C)C)C3)c1B1OC(C)(C)C(C)(C)O1 2281978834 JFNBMOCDDOGTQF-UHFFFAOYSA-N 460.384 2.157 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C2(CC1)CC2 2282019895 RQFCQRZKLNGHOX-UHFFFAOYSA-N 458.368 2.391 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC2(CC2)C1 2282040427 JJADXXHXGLVJAQ-OAHLLOKOSA-N 460.384 2.239 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H]1CCCN2C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2282188351 UTKKDNLVQKXPCC-IAGOWNOFSA-N 458.368 2.390 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](CO)[C@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)CC1 2282198424 AZFZGMNPUFCFOD-JKSUJKDBSA-N 464.368 2.317 30 10 JEEE CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2282473814 QGFKVYLFUKBRBC-MSOLQXFVSA-N 464.343 2.489 30 10 JEEE Cn1ncc(C(=O)N2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@]3(C)C2)c1B1OC(C)(C)C(C)(C)O1 2282568356 BAVWVJNGHCFJDI-CMJOXMDJSA-N 460.384 2.048 30 10 JEEE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1N(C)C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2282686517 TYQNYZOURQWYCK-NVXWUHKLSA-N 460.384 2.493 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)N1CCc2c(B3OC(C)(C)C(C)(C)O3)cccc21 2283961157 BTJKBRPDQQATBE-KXBFYZLASA-N 458.364 2.245 30 10 JEEE CC(C)(C)OC(=O)N1CCC(OCC(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)CC1 2283986881 TVRCNOYQGGYFPU-UHFFFAOYSA-N 481.424 2.475 30 10 JEEE Cc1nc(S(=O)(=O)N(CCCC(=O)O)Cc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)n1C 2284413014 FYKAXWPZRANFKG-UHFFFAOYSA-N 477.392 2.083 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H](C(=O)O)[C@H](C)OCc2ccccc2)n1 2284482216 RHTICPFEAXAPLS-QFBILLFUSA-N 454.332 2.478 30 10 JEEE CC(C)(C)OC(=O)N(CC(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1)C1CCOCC1 2288171242 ZEBUHIXONOOBOB-UHFFFAOYSA-N 481.424 2.475 30 10 JEEE COC[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)N(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)C1 2289508027 UXEFFNXLQCRISW-HUUCEWRRSA-N 481.424 2.444 30 10 JEEE CC(C)(C)N1C[C@H](c2nnc(SCC(N)=O)n2N=Cc2cc(Br)ccc2O)CC1=O 2327842623 RBWLWGXWBUBRBZ-GFCCVEGCSA-N 495.403 2.320 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H](NC(=O)OC(C)(C)C)C(C)(C)C)n1 2336902980 JLFBMMVRISDBHF-HNNXBMFYSA-N 450.389 2.389 30 10 JEEE CN(C)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1Oc1cc(B2OC(C)(C)C(C)(C)O2)c(F)cn1 2345695993 ZYFCVEZSNFMSNR-SJORKVTESA-N 451.348 2.448 30 10 JEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2C[C@@H]3C[C@H](OCc4ccccc4)C[C@H]23)n1 2359280342 QGJRJXUWTHNLFT-VJANTYMQSA-N 452.364 2.228 30 10 JEEE COc1[nH]c(=NC[C@@H]2CN(C)CCN2Cc2ccccc2)ccc1B1OC(C)(C)C(C)(C)O1 2365344908 UXPONLUMCSVSKZ-HXUWFJFHSA-N 452.408 2.039 30 10 JEEE Cc1ncc(/C(O)=C2/C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cccc(F)c2)c(C)n1 102751589 UKJJTECGRYKYIQ-AGGMBTAESA-N 454.502 2.377 30 10 JEEE CO/N=[N+](\[O-])CC(=O)N1CCCN(S(=O)(=O)c2ccccc2)[C@H]1c1ccc(N(C)C)cc1 103937042 UGRZOQHNONYYAN-OUJYPELJSA-N 461.544 2.198 30 10 JEEE COc1ccc(C(C)=NNc2nc3c(c(=O)nc(O)n3C)n2C[C@@H](O)COc2ccccc2C)cc1 254764331 CGLDRJBHOSUEBV-GOSISDBHSA-N 492.536 2.429 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)[C@@H](C)[S@](=O)CC(=O)Nc3ccc(C(=O)O)cc3)cc21 586341902 VSHUOPOEPKCMDS-LHRCYKKBSA-N 470.503 2.255 30 10 JEEE C=CCn1cc(C=NNc2nc(SCC(=O)NCc3cccc(OC)c3OC)n[nH]2)cn1 1084542469 FDAHHXYUZFLBNH-UHFFFAOYSA-N 456.532 2.059 30 10 JEEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C(=O)OC)c2ccc(OC)c(Cl)c2)c1 1138314946 UWSVXSDFBXSCCJ-SFHVURJKSA-N 452.916 2.457 30 10 JEEE C=CCOc1ccc(Br)cc1NC(=O)NC[C@]1(C(=O)OC)C[C@@H]1S(C)(=O)=O 1219086552 GEWHBVYYPMSROV-WMLDXEAASA-N 461.334 2.112 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)CN(C[C@H]2CCCO2)C(=O)OC(C)(C)C)[C@H](C#N)C1 1265833380 DCJPEHMAUCWNED-IAGOWNOFSA-N 452.552 2.374 30 10 JEEE C#CCCCCn1c(-c2ccccc2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1286317796 ISXYKZPVWXQMNQ-UHFFFAOYSA-N 454.556 2.389 30 10 JEEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(CC(=O)N2CCN(CC)CC2)CC1 1286358576 MIERTOUJDYRNRV-UPVQGACJSA-N 486.661 2.186 30 10 JEEE C#CCN(c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 1286388691 UNGLVYWPVUHUNI-RBUKOAKNSA-N 474.583 2.158 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccnc1OC1CCCC1 1286420388 PJYFOLUNAASESZ-SFHVURJKSA-N 470.599 2.116 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccc(OCC)c2OC(F)F)CC1 1286479908 PWRFQPVEWWWYFW-QGZVFWFLSA-N 474.512 2.033 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4ccccc4n3)n2C[C@](C)(O)CCOC)CC1 1286488979 AFIGSWNKEHMHKF-AREMUKBSSA-N 476.581 2.247 30 10 JEEE C#CCSCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1286499759 OIHFMMSZDXTVAS-KRWDZBQOSA-N 464.613 2.342 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCC[C@@H]1NC(=O)NC1=O 1286531207 UANZXPFAKGTBHO-WIBJQZJXSA-N 485.589 2.029 30 10 JEEE C=C(Cl)Cn1c([C@H](C)OCCOC)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1286622508 PQRYHAFDGBIYIH-ZDUSSCGKSA-N 455.972 2.461 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(S(=O)(=O)CC)CC1 1286783507 TUWXTKFFOTXOFK-UHFFFAOYSA-N 469.970 2.443 30 10 JEEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)[C@H]1C[C@@H](OCC)C1(C)C 1286788162 QXOFJRNIQHTNCF-VQTJNVASSA-N 482.633 2.394 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 1286788682 BXBWHDVFUFLEFM-UHFFFAOYSA-N 465.533 2.040 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCC(N2CCCNC2=O)CC1 1286817325 RHWFJQOTTABADK-UHFFFAOYSA-N 472.615 2.238 30 10 JEEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2c(F)cccc2F)CC1 1286829137 CATFIIWLIIGDRG-QGZVFWFLSA-N 476.553 2.389 30 10 JEEE C=CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1286834789 MMFPOJOMMFRMFU-HXUWFJFHSA-N 462.601 2.220 30 10 JEEE CCOc1cccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(CC#N)CC2)c1 1296828515 DWQCKBKQCHXTHX-OAQYLSRUSA-N 488.614 2.188 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1300285241 YZVHPIQDOKZWLG-CRAIPNDOSA-N 485.532 2.070 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCCOCC)[C@H]1CCS(=O)(=O)C1 1300479111 IPNMFEJKKGPYSF-FQEVSTJZSA-N 473.599 2.201 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1nnc(C(C)(C)C)s1 1300528538 YGTLRRAOPMLYQX-UHFFFAOYSA-N 472.578 2.462 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccccc2F)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1300897387 QHEPLZCHWJZAAM-SPEDKVCISA-N 493.605 2.495 30 10 JEEE C=C(Cl)Cn1c(-c2ccccc2F)nnc1N1CCN([C@H](C)C(=O)NCCCOC)CC1 1301031038 YJEJWHIVPCEGDF-QGZVFWFLSA-N 464.973 2.500 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)CC1 1301087223 YAEVDQGGEUPSLU-QZTJIDSGSA-N 498.650 2.023 30 10 JEEE C=CC1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@H]2COCCO2)CC1 1301112207 NIVMFLOOLWCTAY-IBGZPJMESA-N 461.588 2.013 30 10 JEEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(OCCOC)CC1 1301458058 MMKUNOREJUZEOF-GOSISDBHSA-N 451.568 2.404 30 10 JEEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 1301595173 OYKKWUCNJKWPNG-ZWKOTPCHSA-N 498.719 2.282 30 10 JEEE CC(C)(C)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1302202380 FHUQHTOTKTYPFH-IBGZPJMESA-N 471.631 2.019 30 10 JEEE C[C@@]1(C#N)CCCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](N2CCOCC2)C(F)(F)F)C1 1303934147 CFHDJIIZRJKERY-IERDGZPVSA-N 492.506 2.319 30 10 JEEE C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc([N+](=O)[O-])c(Br)cc1C 1309088819 XDHDDKWZQJAEOS-NSHDSACASA-N 453.336 2.030 30 10 JEEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)CCOC1 1314138284 DDWKIJKBWRTDBY-YDIMBITNSA-N 490.605 2.306 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2CCNC(=O)c2ccco2)c1 1358903353 TYVBTWZDGUXPJM-UHFFFAOYSA-N 483.532 2.343 30 10 JEEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1c(C)coc1C)[C@@H]1CCS(=O)(=O)C1 1358957148 QICQEDIUXSPKMN-AUSIDOKSSA-N 476.599 2.204 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(C(C)C)CC1)[C@H]1CCS(=O)(=O)C1 1358957225 RICHWJOOFPDBDU-CVDCTZTESA-N 464.632 2.382 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCc2cccc(C(=O)N(C)C)c2)CC1 1359030104 OGOBFDASWGPJLZ-MHZLTWQESA-N 494.640 2.018 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(N(C)C(C)=O)CC1 1359091396 MSFGHQDRRYGCDO-WIYYLYMNSA-N 467.574 2.354 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCNC(=O)C(C)(C)C 1359282232 VHMFHECSFNKKMU-GOSISDBHSA-N 494.637 2.388 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](c2nc(C(C)C)cs2)C1 1359292197 KAZJNKGZFOMIBK-JKSUJKDBSA-N 495.675 2.154 30 10 JEEE CC(=O)N(C)c1ccc(S(=O)(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)cc1 1462800981 CSCDBYQARXGXQG-UHFFFAOYSA-N 452.540 2.220 30 10 JEEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCCN(C(=O)CCc3ccccc3)CC2)cc1 1465682281 XNSBAJZMVORTSJ-UHFFFAOYSA-N 455.580 2.458 30 10 JEEE CC[C@@H](C)[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1494868551 AJCCDGLSBUIUGD-VGOFRKELSA-N 460.604 2.086 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@](C)(O)C1CC1)[C@H]1CCS(=O)(=O)C1 1507627583 KLPPDIBNMFSMFC-HTAPYJJXSA-N 479.002 2.395 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@]1(O)CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1507630170 ULUSHTPMXZJZEI-IEGUWTFLSA-N 458.584 2.132 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@H](C)Oc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1507634889 OFKIFJOEUUVFHT-FPOVZHCZSA-N 495.605 2.367 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1OCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1507638450 RAGGTKAZEIZWBV-LASHMREHSA-N 464.632 2.248 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@]2(O)CCC[C@@H]2C)CC1 1507733880 CTYVWYMXXBMVMP-BVZFJXPGSA-N 451.571 2.471 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCN2CCCCC2)CC1 1507735088 KBUAJJVGDDLNAL-UHFFFAOYSA-N 480.613 2.414 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2Cc2cccc(C(N)=O)c2)CC1 1507740773 YVUZTOVBADHBIW-UHFFFAOYSA-N 462.579 2.043 30 10 JEEE C#CCSCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CC(=O)N(C)[C@H](C)C1 1507752479 YMIRLGVATNRDDW-QGZVFWFLSA-N 479.610 2.098 30 10 JEEE C=C1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC(=O)NCC2CC2)CC1 1507884711 LBVMYPDUHFEAAW-GOSISDBHSA-N 460.579 2.269 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC(=O)N1CCOCC1 1507999739 OPDFQGXZXXVXGA-AREMUKBSSA-N 494.596 2.242 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1508098254 NXUSANGPWCCNER-QWFCFKBJSA-N 461.607 2.273 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1508145913 QNEDKJIETIYHQO-INIZCTEOSA-N 482.006 2.400 30 10 JEEE C=CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCO[C@@H](C#N)C1 1508155133 JDVWXYXKMYNJNP-INIZCTEOSA-N 451.556 2.323 30 10 JEEE C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)[C@H](C)CC#N)n1C[C@@]1(O)CCS(=O)(=O)C1 1510255750 HRAUGQQVOWJKRX-SIFCLUCFSA-N 467.979 2.359 30 10 JEEE CNS(=O)(=O)CCn1c(COc2ccc(Br)cc2)nnc1N1CCC[C@@](C)(C#N)C1 1517626455 HMXVLZRICBXGCL-IBGZPJMESA-N 497.419 2.299 30 10 JEEE N#Cc1ccc(CNC(=O)c2cc(S(=O)(=O)N3CCOCC3)c(Cl)cc2Cl)nc1 1527501635 ADMNVDFSJFEIGK-UHFFFAOYSA-N 455.323 2.211 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCNC(=O)C1CCC1 1539011486 BYMUDMKKQCYUES-MJGOQNOKSA-N 474.606 2.351 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CC1(OC)CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1539224854 JBXRLPQNQQGBBF-MMPATGFWSA-N 471.627 2.486 30 10 JEEE C#CCN1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CCCOC(F)(F)F)CC1 1539446016 OBMFQRDBOFJREZ-UHFFFAOYSA-N 489.502 2.357 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC2(SC)CCC2)CC1 1539489161 IKDBHJKUMFBHOY-OALUTQOASA-N 461.632 2.254 30 10 JEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@@H](c2ccsc2)C1 1539496514 GYEKPTXDUHQLOP-YQQAZPJKSA-N 469.658 2.283 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN(C)C(=O)OC(C)(C)C 1539556833 ICLNBNKTRKPCFX-VGOFRKELSA-N 465.620 2.429 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccn2C)nnc1N1CCC(NS(=O)(=O)CC)CC1 1539626782 GJIWITFIOMWWLR-YLJYHZDGSA-N 462.620 2.173 30 10 JEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccc(CN3CCO[C@@H](C)C3)c2)CC1 1539828378 JLNKJYYYAJVQMF-PMACEKPBSA-N 488.658 2.314 30 10 JEEE C=CCCCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1539955409 WPUCZANFPKAHIH-IBGZPJMESA-N 482.585 2.244 30 10 JEEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1540013392 PKPOAPNCLUEBNN-UHFFFAOYSA-N 466.633 2.096 30 10 JEEE CC(C)Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@H](C(C)C)N1CCOCC1 1541472320 FGSXSZDDGWXIEO-IFMALSPDSA-N 481.649 2.210 30 10 JEEE C[C@H]1CN(CCCn2c(-c3cccc(C#N)c3)nnc2N2CC[C@](C)(C(N)=O)C2)C[C@@H](C)O1 1545093554 FKBYWNDWFJBTKK-RHGYRFJNSA-N 451.575 2.018 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCNC(=O)Cc1cccc(F)c1 1587614464 IWWOUTQFNRTZAC-KRWDZBQOSA-N 497.600 2.194 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2Cc2cccn(CC)c2=O)c1 1587689161 CHVNDZFDGIVCQV-UHFFFAOYSA-N 468.521 2.021 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@](C)(O)CCC(C)C)c1 1587692210 AFLMVOJGHNHZMQ-CPJSRVTESA-N 466.586 2.473 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1588034999 OCWOPNPKEKUWCL-YKSBVNFPSA-N 488.610 2.002 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CC[C@H](N2CCOCC2)C(F)(F)F)CC1 1588946964 JIXUMBYUCXZTLR-IBGZPJMESA-N 484.567 2.096 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC[C@@H]2CCO[C@@H](C)C2)CC1 1588968607 NNJCDYINPQMRCH-MXNKGDRCSA-N 473.618 2.173 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1CCCCC1 1589545624 OGQPZKFCKNPHIU-RLLQIKCJSA-N 467.636 2.361 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1nnc2n1CCC2 1589608312 DTNJABJKLVPZEB-UHFFFAOYSA-N 470.603 2.184 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cnn(Cc2ccccc2)c1 1589664231 WBSVQARNDCBXBS-QFIPXVFZSA-N 499.641 2.307 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCC[C@H](OC)C1 1595536912 IRNWSBUEWRTTOU-KRWDZBQOSA-N 465.558 2.153 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CCN(c2ncc(F)cn2)CC1 1595778058 VGWZHCVBYYBYRN-UHFFFAOYSA-N 491.980 2.455 30 10 JEEE C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@H](CCC(=O)OC(C)(C)C)Cc3ccccc32)C1=O 1596135995 ZLXWOXGDFHLHEF-MRXNPFEDSA-N 455.511 2.291 30 10 JEEE CC(C)Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC(=O)NCCc1ccccc1 1603673671 HLIBXEVVEXFLRL-UHFFFAOYSA-N 472.597 2.429 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1cccc(NC(=O)C2CCC2)c1 1611686283 DESHPIPEZKWAQC-NYHFZMIOSA-N 489.577 2.117 30 10 JEEE CCS[C@@H]1CC[C@@H](N(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1617473257 IBVAXJXZZHUEAZ-WOIUINJBSA-N 475.640 2.477 30 10 JEEE N#Cc1ccc(-c2nnc(N3CCC(C(=O)NCC(F)(F)F)CC3)n2CCNC(=O)C2CC2)cc1 1620349044 DTAPKESBTWCQJJ-UHFFFAOYSA-N 489.502 2.238 30 10 JEEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)c1cn(C)nc1C(F)(F)F 1622563324 OHAPDWSCCXUDOC-UHFFFAOYSA-N 450.483 2.462 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1ccc(C)n(C)c1=O 1689825741 CHOFOFJVRBHXTN-HNNXBMFYSA-N 452.946 2.375 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccs2)c1 1689869040 ZDBNPAXWGVATCV-HNNXBMFYSA-N 472.596 2.054 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1ccc(N(C)C)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1689989176 BUGKQLAVZHGMRG-NQIIRXRSSA-N 475.590 2.400 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@]1(C)CCCO1)[C@@H]1CCS(=O)(=O)C1 1689996245 FVSDNPARIIIITA-GCJKJVERSA-N 462.547 2.192 30 10 JEEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1CCN(C(C)=O)CC1 1690060713 GCOONISQPQTGOQ-UHFFFAOYSA-N 471.631 2.265 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C)s2)n1 1690109046 DUXNMOWMHZSDJA-SFHVURJKSA-N 488.639 2.081 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCc2ccc(NC(C)=O)cc2)CC1 1690142907 XPNSONPPIVSTLH-UHFFFAOYSA-N 473.581 2.451 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCc2ccn(C)n2)CC1 1690152650 SSNQRLSNGKANTQ-UHFFFAOYSA-N 481.988 2.453 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)c1ccc(F)cc1 1690265328 MRSCZHGMJPMGEJ-SIKLNZKXSA-N 481.594 2.060 30 10 JEEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)Nc2ccc(C)cn2)CC1 1690507804 XCUONKAQUKLFDQ-IBGZPJMESA-N 467.574 2.380 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccnc(OC2CCOCC2)c1 1690597330 QQUBGWLVTXEJOY-LJQANCHMSA-N 473.599 2.360 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CCN(c2cnccn2)CC1 1690717577 JYLZIACPDTUWGD-UHFFFAOYSA-N 473.990 2.316 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H]1c1ccc(COC)o1 1690722845 XNBZNSDWECUFGC-SFHVURJKSA-N 460.560 2.360 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)ccc2C)nnc1N1CCCN(CC)C(=O)C1 1690729571 RCOMYUZBFDCVOR-UHFFFAOYSA-N 475.615 2.133 30 10 JEEE Cc1cccc(OCc2nnc(N3CCN(c4nccnc4C#N)C[C@@H]3C)n2C[C@@H](C)N(C)C)c1 1693224911 DFRPYPYMQJMLGI-UXHICEINSA-N 475.601 2.492 30 10 JEEE CO[C@H](Cn1c(Cc2cccnc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1)C(C)C 1697174423 DLXRBGBFRXYTSW-OAQYLSRUSA-N 463.590 2.175 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCc1ccc(CC)cc1)[C@@H]1CCS(=O)(=O)C1 1705567512 YGFGDJMINZNZGB-OAQYLSRUSA-N 452.584 2.110 30 10 JEEE C#CCN(c1nnc(CSc2ccc(C)cc2)n1CC(C)(C)C(=O)NC)[C@@H]1CCS(=O)(=O)C1 1705572360 YXMNDIFTUOMKCN-GOSISDBHSA-N 489.667 2.278 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1CC[C@H](C(F)F)N1CCOCC1 1705583085 PROOCTWUZADYEZ-WIYYLYMNSA-N 471.508 2.219 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC1(O)CCC1 1705626836 KRKHPXRXEGGVPS-UHFFFAOYSA-N 450.543 2.237 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H](OC)c2ccc(F)cc2)CC1 1705632246 KLHALBRGOSTOAL-OAQYLSRUSA-N 456.566 2.479 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCCc3ccccc3)n2Cc2nncn2CC)CC1 1705650590 UUFVTXVDYXGHSI-UHFFFAOYSA-N 460.586 2.079 30 10 JEEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 1705663170 YFQUJBAYFBGCLG-JTHBVZDNSA-N 495.697 2.447 30 10 JEEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCOC2(CCOCC2)C1 1705664442 PETABTPDZGGLDJ-UHFFFAOYSA-N 453.568 2.481 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)Oc1ccccc1OC 1705666682 GVXPEPFNRDABAM-GSHUGGBRSA-N 461.588 2.357 30 10 JEEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1705686948 PVQWMIPGGNMHPL-RDJZCZTQSA-N 450.385 2.134 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(C(N)=O)CCOCC1 1705716910 YPEODEFKLFVRPN-GOSISDBHSA-N 492.621 2.271 30 10 JEEE C=C(C)Cn1c(Cc2ccccc2OC)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1705726624 WMUHZAZFROZMAO-UHFFFAOYSA-N 472.571 2.094 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](CC)NC(=O)OC(C)(C)C)CC1 1705769595 XEWOZMOMRLQJNO-ROUUACIJSA-N 498.650 2.071 30 10 JEEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(Cn2cc(C)cn2)CC1 1705805213 BRBGBTBWLFSQCN-OAQYLSRUSA-N 491.662 2.389 30 10 JEEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2nc(C)cc(OCC)n2)CC1 1705806569 HOARRHKQQGCOPX-SFHVURJKSA-N 454.579 2.409 30 10 JEEE C=CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1705890537 VKYKCFRZIPTUHV-HXUWFJFHSA-N 487.649 2.323 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN([C@@H](C)c2nc(C(C)C)no2)CC1 1705901030 YFHYWBPKOZKOAZ-SFHVURJKSA-N 479.589 2.340 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCC(=O)N2CCOCC2)C1 1705915146 AVTJMYOVFOLKOZ-MRXNPFEDSA-N 479.379 2.066 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(OC)c3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1705920410 WZGLFFNWVYKNJY-KFGJJWJMSA-N 464.526 2.261 30 10 JEEE C=CCSCCn1c([C@@H]2CCCCO2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1705945981 WOKUQGGNYNERHK-NRSPTQNISA-N 462.664 2.428 30 10 JEEE CC(C)N(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(N2CCNC2=O)CC1 1706557034 GZEAHAPEZRJYGG-UHFFFAOYSA-N 466.590 2.063 30 10 JEEE CC1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(CC#N)CC2)CCCC1 1706961396 FXJBEWNVUWRDOX-GOSISDBHSA-N 450.609 2.321 30 10 JEEE CCOc1c(Cl)cc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)cc1OC 1710495654 BCEPYUDXGUKXPR-HOCLYGCPSA-N 460.922 2.067 30 10 JEEE CNC(=O)C(C)(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@](F)(C#N)C1 1711284274 BWUULAIINVZWGJ-OAQYLSRUSA-N 461.929 2.076 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H]1CCOC[C@@H]1OC 1722293430 MUCNZISPMPCLFO-QKLQHJQFSA-N 450.543 2.184 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCO[C@H](C)C2)c1 1722307137 YYGOVDSUIPLNPT-UYAOXDASSA-N 464.570 2.385 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCCO3)n2CCC(=O)NCCC)c1 1722310669 YUIMKQJOMNKVTA-FQEVSTJZSA-N 452.559 2.492 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H]1CCCOC1)[C@@H]1CCS(=O)(=O)C1 1722360071 YUNPUJYIYZFDQA-TZIWHRDSSA-N 485.610 2.201 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCCC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1722367050 LSNCLFJXJNVXPE-PMACEKPBSA-N 450.605 2.006 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1CCCCOc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1722367509 NOMWZVSCRHUMND-AZUAARDMSA-N 476.574 2.407 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CC1(N(C)C)CCC1)[C@H]1CCS(=O)(=O)C1 1722367897 XYPLANHSGLFPSS-INIZCTEOSA-N 495.447 2.147 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1conc1COC 1722422340 QVQKQZIMGSWSHV-QGZVFWFLSA-N 473.530 2.142 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2CCCN2CCCC2)CC1 1722443403 SFNVSWKSHABVRV-UHFFFAOYSA-N 450.587 2.405 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C2CCN(c3ncccn3)CC2)n1CCN(C)CCOC 1722476058 XQAMVRYYQDCTOI-XMMPIXPASA-N 452.607 2.022 30 10 JEEE C=C(Cl)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1722549867 BSXNYBGHMFOHCV-INIZCTEOSA-N 455.950 2.249 30 10 JEEE C=C(Cl)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1722556628 DFQPGELYEIZERB-UHFFFAOYSA-N 494.412 2.312 30 10 JEEE C=CCN(CC=C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@]1(O)CCN(C)C1 1722669301 PUOHAYLBVSXRDJ-VWLOTQADSA-N 463.586 2.481 30 10 JEEE C=CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1722684388 PGJVDUDLXAURQY-KRWDZBQOSA-N 482.006 2.424 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCN2CCOC(C)(C)C2)C1 1722716485 VURIBSSAYPZOQJ-FQEVSTJZSA-N 489.642 2.241 30 10 JEEE CC(C)CC[C@@](C)(O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@@H](C#N)C1 1723361595 CTPBRDAFPYCCHM-BXKMTCNYSA-N 465.558 2.108 30 10 JEEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCN1C[C@@H](C)O[C@H](C)C1 1740608558 HAYZCGYAJCUIFT-RTBURBONSA-N 463.586 2.244 30 10 JEEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC[C@@H](C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1740622446 CWKSKCAPIJKNOC-RLLQIKCJSA-N 455.584 2.050 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCn2ccnc2C1 1740647915 ZIUJBNJMJRXEOC-LJQANCHMSA-N 462.579 2.271 30 10 JEEE C#CCN(CC#CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@H]1CC=CCO1 1740659225 WNUNHMZHAGMTCV-VWLOTQADSA-N 458.610 2.451 30 10 JEEE C#CCN(CC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CC1(O)CCS(=O)(=O)CC1 1740662193 PPBCNVZQQWDXSM-LJQANCHMSA-N 460.600 2.434 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)Nc2ccccn2)n1C[C@]1(O)CCO[C@@H]1C 1740675454 CMJYGRTYSBZLRF-MZNJEOGPSA-N 464.501 2.244 30 10 JEEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](C)N1CCC[C@H](C)C1 1740683650 MHSONHWLJSIEEA-PMACEKPBSA-N 487.674 2.445 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc(OC)c(OC)c2)CC1 1740693093 TVAJECBWZGJJIA-VWLOTQADSA-N 469.586 2.139 30 10 JEEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1740716231 VELHEXGNKGEJRT-SFHVURJKSA-N 462.645 2.123 30 10 JEEE C=C(C)COCCn1c(-c2cccc(C)n2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1740793030 OLONPIXQRSPZOO-QHCPKHFHSA-N 483.661 2.472 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@]2(C)CCCS2)CC1 1740838882 ANBHXALYWMCKEP-XLIONFOSSA-N 455.650 2.299 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(SC)CCN(C)CC2)CC1 1740839620 LWBOUSWVLSGLNH-GOSISDBHSA-N 453.678 2.410 30 10 JEEE C=CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1740857044 BAYBDZCCEMOTGW-FQEVSTJZSA-N 459.639 2.296 30 10 JEEE C=CCOc1ccc(Cn2c(Cc3ccncc3)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)cc1 1740968027 XZJBZBYPLIFLKU-IBGZPJMESA-N 482.610 2.347 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@]2(C)COCCO2)C1 1740970420 KVWWEHOQMGZDKJ-XXBNENTESA-N 475.977 2.448 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc(S(C)(=O)=O)cc1 1748666203 ZRTGCEIUQZUFOX-INIZCTEOSA-N 486.623 2.148 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccc(C(=O)NCC)cc1)[C@H]1CCS(=O)(=O)C1 1748801874 IETIOXJNCCXGCL-IBGZPJMESA-N 457.600 2.000 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1748802064 KOWUDQWDGHAECN-NHCUHLMSSA-N 485.610 2.343 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1748810507 XEQHEAUPQGNPHN-WBVHZDCISA-N 466.007 2.184 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1CCn1c(O)nc2ccccc21)[C@@H]1CCS(=O)(=O)C1 1748817377 JSOTYCZEBOAKNR-QGZVFWFLSA-N 470.599 2.249 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CCCOc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1748819353 NOBKRDSONSLEPB-OAQYLSRUSA-N 465.579 2.360 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1Cc1ccc(OC)c(OCC)c1)[C@@H]1CCS(=O)(=O)C1 1748820385 ARFGJYYRZSXYAW-LJQANCHMSA-N 458.584 2.313 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1cc(C(F)(F)F)ccn1 1748892246 LYCDKVGZCBJEGY-INIZCTEOSA-N 465.501 2.300 30 10 JEEE C#CCN1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2C[C@H](C)N(CC)CC)CC1 1748986609 CYDIZNZFJVUNDA-FQEVSTJZSA-N 476.629 2.160 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2cccc(C(OC)OC)c2)CC1 1748994971 UYUMTCZJNFGLCP-UHFFFAOYSA-N 494.621 2.365 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](C)Oc2ccccc2F)CC1 1749009672 VJASFBBJCUIJRJ-KRWDZBQOSA-N 465.533 2.251 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2Cc2nccc(C(F)F)n2)CC1 1749010308 LSEOLRLZBKOAJR-UHFFFAOYSA-N 454.485 2.025 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCNC(=O)CC1 1749119315 PZYRYBCBXXYJRM-FXAWDEMLSA-N 472.977 2.169 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1749129449 DQBBTGWKMZTXFI-BQUSRXHISA-N 458.651 2.447 30 10 JEEE C=C(C)COCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1749216856 UYCHUIWTAWLXRS-PZJWPPBQSA-N 488.658 2.461 30 10 JEEE C=C(Cl)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CCN(C)Cc2ccccc2)CC1 1749266357 HBANBOJGYIAEJS-HXUWFJFHSA-N 458.010 2.236 30 10 JEEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 1749268831 HULWFPVMBKLRQE-HNNXBMFYSA-N 470.020 2.265 30 10 JEEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1749604274 GMNYXGSYKANKOK-GOSISDBHSA-N 479.006 2.052 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1749657636 DAWAGLCSEUNKOM-UHFFFAOYSA-N 483.960 2.468 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1749736483 KCFCAYIJRJXIBS-GOSISDBHSA-N 475.644 2.482 30 10 JEEE CC(=O)N1CCC[C@H](Cn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N(C)[C@@H](C)CC#N)C1 1749817135 IFWUORQTZKUNGQ-HKUYNNGSSA-N 487.630 2.192 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1C[C@@H]1CCOC[C@@H]1C 1750965181 GSLIRNHLQGUXGH-HKUYNNGSSA-N 469.565 2.426 30 10 JEEE C#CCCCn1c(N2CCC(CNC(=O)c3cnn(C)c3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1760160129 ZMPZPAPNOYHJGR-RUZDIDTESA-N 483.617 2.112 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCN(CC)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1760188885 QTPPLWLAFANQKQ-MOPGFXCFSA-N 495.646 2.056 30 10 JEEE C#CCN(c1nnc(CC2CCCC2)n1Cc1ccc(NC(N)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1760189019 FOOJXIWWUFBCKE-HXUWFJFHSA-N 470.599 2.176 30 10 JEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CCN(C(=O)OC(C)(C)C)C1CC1 1760248811 QXCAIHGHRGLZEU-UHFFFAOYSA-N 486.573 2.491 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccc(OC)c(OC)c2)CC1 1760251781 HQDXUAPIGRSAOK-UHFFFAOYSA-N 454.575 2.017 30 10 JEEE C#CCN1CCN(c2nnc(CC(C)C)n2Cc2cccc(NC(=O)[C@@H]3CCCO3)c2)CC1 1760261290 KANLIZXDTGDZLK-QFIPXVFZSA-N 450.587 2.398 30 10 JEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCCN(c2ncccc2F)CC1 1760272235 DDSOWZOLWWXCDK-UHFFFAOYSA-N 457.579 2.131 30 10 JEEE C=CCCOCCn1c(-c2cccnc2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1760448805 QHYQSLNBRBRSMC-UHFFFAOYSA-N 450.547 2.366 30 10 JEEE C=CCCOCCn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1760448816 QKTPGUYTAXLDJO-UHFFFAOYSA-N 487.004 2.462 30 10 JEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ccc(Cl)cc1)C1CC1 1760477111 PMMKUDZKJSMXEI-LJQANCHMSA-N 482.006 2.498 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H](C)N(Cc2ccccc2)CC1 1760529637 DRRKFXJNFKXMKW-SSPYTLHUSA-N 482.629 2.405 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2CCOc2ccc(S(C)(=O)=O)cc2)C1 1760541513 DEEURIHMXWECKT-AZUAARDMSA-N 476.599 2.436 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@@H]1CCOC[C@H]1OC 1762288888 DDROVMCJPYZZLK-NZQKXSOJSA-N 495.628 2.446 30 10 JEEE CCOC1CC(O)(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(CC(C)C)C(=O)[C@@H]2C)C1 1766151992 DPMSJIPKLDCVNU-HHIIEYADSA-N 466.586 2.440 30 10 JEEE COc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(CC#N)CC2)c(OC)c1OC 1768647304 HSIBZUYXSKBPDK-OAHLLOKOSA-N 492.602 2.092 30 10 JEEE CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1862635993 WNNQEEOGZWSICN-OAQYLSRUSA-N 497.460 2.235 30 10 JEEE C=CCN(CC=C)c1nc(NC(=O)c2c(OC)cccc2OC)n([C@H]2CCS(=O)(=O)C2)n1 1870002322 JYRAUJXNBALAJZ-HNNXBMFYSA-N 461.544 2.086 30 10 JEEE COc1ccc(N2C[C@@H](C(=O)Nc3c(C#N)nnn3-c3ccc(NC(C)=O)cc3)CC2=O)cc1 1870159002 AHOMULJGOFDCAR-HNNXBMFYSA-N 459.466 2.098 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCc2ccco2)cn1CCc1cnc[nH]1 1870536850 BVYUKRKOCDCSMY-UHFFFAOYSA-N 451.527 2.276 30 10 JEEE C=CCn1cc(OCC(=O)N2CCOCC2)c(=O)cc1CNc1ccc(Cl)c([N+](=O)[O-])c1 1871034304 IQTZNNZTGQPKLS-UHFFFAOYSA-N 462.890 2.446 30 10 JEEE CC(=O)NCc1nnc(SCC(=O)Nc2ccc(F)cc2)n1/N=C/c1ccc(O)c([N+](=O)[O-])c1 1874432040 LMPXVSAXMFWQFI-NUGSKGIGSA-N 487.473 2.280 30 10 JEEE COc1cccc(/C=N/n2c(CNC(C)=O)nnc2SCC(=O)N[C@H](C)c2ccccc2)c1O 1874435949 FXPXDDUZPUVKPY-HURLIOHXSA-N 482.566 2.480 30 10 JEEE CCOc1ccc(CC(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)cc1OCC 1890373247 YHDRUXNEBNRJKS-UHFFFAOYSA-N 457.615 2.285 30 10 JEEE COc1ccc(-c2ccc(=O)n(CC(=O)N3CCC(Oc4ncccc4C#N)CC3)n2)cc1OC 1891560176 VYBHGHIJZSHIPE-UHFFFAOYSA-N 475.505 2.264 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1CNS(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2255951035 YFDTYDBASVNCGV-RHSMWYFYSA-N 452.382 2.177 30 10 JEEE C[C@@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)Nc1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)n1 2256623606 GBSOWFKJAPPADI-RISCZKNCSA-N 455.748 2.247 30 10 JEEE CC(C)(C)OC(=O)NCC1(C(=O)NCc2cc(B3OC(C)(C)C(C)(C)O3)cs2)COC1 2256677626 GALIKCVVLBOUTQ-UHFFFAOYSA-N 452.382 2.205 30 10 JEEE CC(C)(C)OC(=O)N1CCSC[C@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267266359 OSXMTMQEZWGNQX-MRXNPFEDSA-N 463.409 2.463 30 10 JEEE CC(C)(C)OC(=O)N1CCOCCN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2267374151 NGPSPGPGARICMA-UHFFFAOYSA-N 468.381 2.159 30 10 JEEE CON(CCCNC(=O)c1nn(C)c(Cl)c1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2267498791 MTIPBKZRZMSTPA-UHFFFAOYSA-N 472.779 2.291 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)O 2268645029 SABUKXQHSILTER-DYVFJYSZSA-N 450.341 2.207 30 10 JEEE Cc1nn(C)c(C(=O)N2C[C@H]3CC[C@]3(NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2281988030 GTTVOKGJFZMBKU-CMJOXMDJSA-N 460.384 2.157 30 10 JEEE CC(C)(C)OC(=O)N(CCO)[C@H]1CCCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)C1 2281996343 NJVSFSIZWDPCSG-HNNXBMFYSA-N 481.424 2.276 30 10 JEEE CC(C)(C)OC(=O)N1[C@H](CNC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C[C@H]2COC[C@@H]21 2281999533 FRHQWGXLPFNBDR-DZKIICNBSA-N 479.408 2.197 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 2282009669 SIQFWAIQWMSKFV-JKSUJKDBSA-N 462.400 2.451 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)[C@H](CO)CC1 2282014005 NFEXLVBMEKZBNY-HOCLYGCPSA-N 481.424 2.180 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCCCC12CN(C(=O)OC(C)(C)C)C2 2282038759 MJYHIBAGILBDRR-UHFFFAOYSA-N 460.384 2.335 30 10 JEEE C[C@@H]1C[C@@H](CNC(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CCN1C(=O)OC(C)(C)C 2282039204 RMWBRVIFJQQPFU-CVEARBPZSA-N 462.400 2.485 30 10 JEEE CCc1nc(C(=O)N2C[C@@H](O)C[C@H]2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2282143697 YJXOZGSHZWHLOV-KBPBESRZSA-N 481.424 2.105 30 10 JEEE CCn1cc(C(=O)N2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)nc1B1OC(C)(C)C(C)(C)O1 2282528598 UUCJVTHYCUBOAZ-RDJZCZTQSA-N 460.384 2.284 30 10 JEEE Cn1ncc(C(=O)N2C[C@@H]3CCC[C@]3(NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2282538110 ATQMMZGHCKEZMK-WNSKOXEYSA-N 460.384 2.239 30 10 JEEE CCc1nn(C)c(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C)c1B1OC(C)(C)C(C)(C)O1 2282558134 FWDMRTQWGSWCJV-ZBFHGGJFSA-N 462.400 2.409 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2C[C@H]1CN(C(=O)OC(C)(C)C)C2 2282592831 INUBQBLIHGNKIQ-HOTGVXAUSA-N 460.384 2.284 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N=[S@@](C)(=O)C[C@@H](C)NC(=O)OC(C)(C)C 2282607823 ZHPQNXAKCJJYDE-GSLRCMBYSA-N 484.428 2.353 30 10 JEEE CC(C)(C)OC(=O)N[C@H](Cc1ncns1)C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2284039976 LYPUFIKZCIGFSN-GFCCVEGCSA-N 495.436 2.046 30 10 JEEE CC(C)(C)OC(=O)N1CC2(C1)CN(C(=O)c1cccc(B3OC(C)(C)C(C)(C)O3)c1)CCO2 2288589711 WTMOGIQIOVPLNW-UHFFFAOYSA-N 458.364 2.448 30 10 JEEE COC(=O)c1ccc(C=Nn2c(Cc3ccc(OC)c(OC)c3)nnc2SCC(N)=O)cc1 2326736088 BQABPHRTWMHOGQ-UHFFFAOYSA-N 469.523 2.132 30 10 JEEE COC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1N=Cc1cc(OC)c(OC)c(OC)c1 2329035150 NHMWNFBJFXMUIG-HNNXBMFYSA-N 491.570 2.176 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2C[C@H]1C[C@H](NC(=O)OC(C)(C)C)C2 2362330167 CGOVSJNSJYTEBV-XHSDSOJGSA-N 460.384 2.237 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCCO[C@H]2[C@@H]1NC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2362572069 WHUGTGIFJNVQCY-LCGIIJARSA-N 479.408 2.243 30 10 JEEE CC(C)(C)OC(=O)N1CC(c2nc(=NC(=O)c3cnsc3B3OC(C)(C)C(C)(C)O3)s[nH]2)C1 2362575949 BAZUGJFAPRXCHS-UHFFFAOYSA-N 493.420 2.302 30 10 JEEE CC1(C)OB(c2cc(F)ccc2S(=O)(=O)N[C@H](CCO)COCc2ccccc2)OC1(C)C 2369631788 GGIJGTKEDZMCCM-LJQANCHMSA-N 479.379 2.371 30 10 JEEE CC(C)(C)OC(=O)N1CC([C@H]2C(=O)NCCN2C(=O)[C@H]2C[C@@H](B3OC(C)(C)C(C)(C)O3)C2)C1 2379813072 GHZKYJVXZZYHHI-UAGQMJEPSA-N 463.384 2.053 30 10 JEEE Nn1c(N/N=C/c2cccc(Br)c2)nnc1SCC(=O)NCc1ccco1 20292218 XUYVAVGEXXKIOU-DNTJNYDQSA-N 450.322 2.202 30 10 JEEE COCCSc1nnc(NC(=O)CSc2n[nH]c(N/N=C/c3ccc(OC)c(O)c3)n2)s1 21078580 NEXXMGSPAWDDJK-QGMBQPNBSA-N 496.600 2.286 30 10 JEEE O=S(=O)(/N=C(\O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccc(F)cc1 34827182 KUFHPMZIPOJDNI-UHFFFAOYSA-N 451.461 2.131 30 10 JEEE CC(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 208072545 OTYOOLOCXXRJOS-MSOLQXFVSA-N 489.426 2.020 30 10 JEEE C=CCc1cc([N+](=O)[O-])ccc1OCC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 513632190 AEVSTJCAVWFUOM-UHFFFAOYSA-N 461.496 2.362 30 10 JEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccnc3ccccc23)c(=O)n1-c1ccccc1C#N 521790034 JKUJHQSVIWFKTD-UHFFFAOYSA-N 463.522 2.124 30 10 JEEE CCCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1cc(C)cc(C)c1 729668403 IGOQCXVDYFHJOY-UHFFFAOYSA-N 457.559 2.193 30 10 JEEE N#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1NC(=O)C[C@@H]1C(=O)O 757547364 UFJSJVUPLHRBPT-LEWJYISDSA-N 476.489 2.304 30 10 JEEE Cc1ccccc1NC(=O)CSc1nnc(NN=Cc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1N 1083999725 NLMSCBVEAWAXGN-UHFFFAOYSA-N 471.459 2.294 30 10 JEEE COc1ccc(C=NNc2nc(SCC(=O)NC3CC(C)(C)NC(C)(C)C3)n[nH]2)cc1O 1084172050 NRMAHWMMTYTOEQ-UHFFFAOYSA-N 461.592 2.482 30 10 JEEE COc1cc(C=NNc2nc(SCC(=O)NCCc3ccccc3)n[nH]2)c([N+](=O)[O-])cc1O 1084534740 KDJXLFGHAPBEAP-UHFFFAOYSA-N 471.499 2.324 30 10 JEEE C#C[C@@H](NC(=O)Cc1cc(F)c(OC)c(S(N)(=O)=O)c1)c1ccc(Br)cc1 1159634396 KXTSRPRTGWNIFA-OAHLLOKOSA-N 455.305 2.277 30 10 JEEE C=CCN(C(=O)c1cc(Br)nn1-c1ncccc1Cl)[C@H]1CCS(=O)(=O)C1 1264995951 YBXOLRUIPNBLLK-NSHDSACASA-N 459.753 2.499 30 10 JEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cccc(NC(C)=O)c1 1286369956 DYIMJFWFIJVXCI-UHFFFAOYSA-N 451.556 2.314 30 10 JEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCS(=O)(=O)c1ccccc1 1286376760 NNPZVIIGRGBTHR-LJQANCHMSA-N 489.598 2.130 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CC1(S(C)(=O)=O)CCC1)[C@H]1CCS(=O)(=O)C1 1286387618 GYWMOZJRZQTTDG-FQEVSTJZSA-N 490.651 2.102 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1CCc1nc(C(F)(F)F)cs1)[C@H]1CCS(=O)(=O)C1 1286388870 CLKGUKZSHPWHTI-ZDUSSCGKSA-N 497.528 2.080 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2Cc2cccn(CC)c2=O)CC1 1286489081 FDVZVNGCCWTMPH-UHFFFAOYSA-N 462.529 2.280 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCCNC(=O)c2occc2C)CC1 1286490399 TVAJOFBYMHLJTE-UHFFFAOYSA-N 475.553 2.027 30 10 JEEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1286501350 VHHVETYHGHTDAT-UHFFFAOYSA-N 475.018 2.435 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC(=O)NC(C)C 1286527859 KLAJNRAMVSEUDX-AREMUKBSSA-N 463.630 2.160 30 10 JEEE C=C(Br)Cn1c(N2CCN(c3cccnn3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1286546767 ACFRJTGDHFMWCO-FQEVSTJZSA-N 478.395 2.344 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1[C@@H]1C[C@H]1CF 1286762553 IYZHAOKGTXYHJC-ZCNNSNEGSA-N 463.579 2.377 30 10 JEEE C=CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1286769966 HXTDHSRCPSPHFL-AEFFLSMTSA-N 489.646 2.100 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC(CNC(C)=O)CC1 1286779019 GLSINAMMMOEHGI-INIZCTEOSA-N 458.538 2.212 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(C(C)(C)C)CC1 1286817577 UUPLAYKVOJRVQS-UHFFFAOYSA-N 461.588 2.195 30 10 JEEE CCN(CC)C[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1295505636 GRSPNQOAGCJAHG-RTWAWAEBSA-N 485.658 2.266 30 10 JEEE CN(C[C@H]1CCCOC1)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCS(=O)(=O)C1 1298559715 GNAYSBIPXUZZQY-RTBURBONSA-N 459.572 2.026 30 10 JEEE C#CCCCn1c(COc2ccccc2CC)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1300422592 UBIYHKMQCCIJES-LJQANCHMSA-N 462.558 2.365 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H](C)N(C)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1300488044 OGZIWDGAFLVREW-RBBKRZOGSA-N 478.622 2.487 30 10 JEEE C#CCN(c1nnc(CSc2ccc(C)cc2)n1CC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1300504797 SOBKETMQVGNSRQ-SFHVURJKSA-N 475.640 2.030 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C(F)(F)F)cc1C 1300538553 RTTCLSKEAYYIMO-IBGZPJMESA-N 495.527 2.059 30 10 JEEE C#CCN(CC#CC)c1nnc(COCC)n1C[C@@H]1C[C@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1300595569 MZUAYOLVKQERSI-UFYCRDLUSA-N 457.575 2.302 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H](C2CCCCC2)N(C)C)CC1 1300726188 MISIPCMIDJOQJQ-VXKWHMMOSA-N 456.635 2.258 30 10 JEEE C#CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1300733806 NUVDWICGZKXBRE-QFIPXVFZSA-N 489.001 2.259 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2F)C[C@H]1C 1300764469 WMIVQWKJCZCPCM-QZTJIDSGSA-N 477.631 2.401 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ccc(Cl)cc1 1300806011 OBJRNSXWRSYAEQ-SIKLNZKXSA-N 494.017 2.336 30 10 JEEE COC[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](Cn2cccn2)C1 1300984353 AEJOQVKMPOXAHK-RXVVDRJESA-N 451.531 2.113 30 10 JEEE C=CCCOCCn1c(-c2cccnc2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1301248703 KBFQGTVIGWQNMK-NZQKXSOJSA-N 467.618 2.312 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1301483917 YDSNNHFBBWEGND-KRWDZBQOSA-N 451.980 2.304 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC(C(=O)OC)CC1 1301497117 OUMSRESSHPAFGE-UHFFFAOYSA-N 450.499 2.292 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC(CO)CC1 1301588252 DSHWQKXPTBPEFR-LJQANCHMSA-N 497.662 2.202 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N(CC)C[C@H]1CCCO1 1301588576 HPLQIHLXKDHAHJ-XLIONFOSSA-N 462.572 2.397 30 10 JEEE C[C@]1(C#N)CCCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H]2COCCO2)C1 1303934354 CXVRGAHVAPJKDX-PGRDOPGGSA-N 458.950 2.407 30 10 JEEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 1314556866 AYLINHZJFSXQAJ-QGZVFWFLSA-N 486.520 2.304 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cn3nc(C)cc3C)n2Cc2conc2COC)c1 1358903249 PPQFGSWIKZZTLU-UHFFFAOYSA-N 488.552 2.379 30 10 JEEE C#CCCCCn1c(COc2ccccc2F)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1358917267 LRJYWAVXPNEZKP-SFHVURJKSA-N 454.506 2.272 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC=C(c2ccccc2)C1 1358930342 SXFFIMFCOVZTJP-OAQYLSRUSA-N 455.584 2.318 30 10 JEEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1c(C)cc(C)cc1C)[C@@H]1CCS(=O)(=O)C1 1358965841 BXIDHWLOPCQSSP-HXUWFJFHSA-N 469.611 2.001 30 10 JEEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cn2cc(Cl)cc(Cl)c2n1 1358999820 DUBDCFNTDUULMM-LBPRGKRZSA-N 470.386 2.351 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@H]2CCOC[C@@H]2C)CC1 1359031385 ZVVPYPVGPOXKBP-RBUKOAKNSA-N 469.586 2.399 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2cn3ccccc3n2)nnc1N(CC)CCS(C)(=O)=O 1359100646 DUFVCGGDJJKRSP-GCJKJVERSA-N 472.615 2.369 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1359188407 MXJXRMQDDBTGKO-OTWHNJEPSA-N 453.653 2.328 30 10 JEEE C=CCC(C)(C)Cn1c(N2CCC[C@H](n3cnc(C(N)=O)n3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1359192255 AGHISRWYIHTMLJ-MHECFPHRSA-N 486.621 2.453 30 10 JEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCC(C)(C)C)CC1 1359227869 OFVNROVBYGVYAB-LJQANCHMSA-N 453.653 2.331 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCOC[C@H]1OC 1359263855 NWWSOGUBDQMTPW-ZHALLVOQSA-N 466.629 2.486 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1359295833 PAAAACXWTFWCGQ-UHFFFAOYSA-N 487.977 2.002 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1359305133 UHRUEPAAWLGRSL-HXUWFJFHSA-N 482.629 2.411 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1359330486 SZCDUSOYXQXKGL-IBGZPJMESA-N 470.603 2.066 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@H](C)N1CCC[C@H](C)C1 1493686987 AQZDPNOQYWJCBF-PMACEKPBSA-N 479.633 2.130 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCN(C)[C@@H]1c1cccs1 1507514960 FSNFXDFMTCGCBC-BMFAXAFESA-N 464.661 2.491 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CC(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 1507621821 CXEDCYUCSOSMQR-WOJBJXKFSA-N 487.626 2.186 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H]1CCSC1)[C@H]1CCS(=O)(=O)C1 1507625166 HNLYSQMKRLAYGT-AEFFLSMTSA-N 476.624 2.342 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H](c2cccc(F)c2)N(C)C)CC1 1507721174 ZKOLZODICUKJRL-RDGATRHJSA-N 470.593 2.127 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@H](F)COC)CC1 1507740552 NNPNVJWXJFPUGU-FQEVSTJZSA-N 457.550 2.424 30 10 JEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 1507741046 JYKNGPLSJKXROI-KRWDZBQOSA-N 462.620 2.374 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ccccc2F)CC1 1507902549 KLUAQPNHNZMGGX-HXUWFJFHSA-N 463.579 2.395 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1508075962 YQAIXOZGJVRXIP-UHFFFAOYSA-N 457.966 2.239 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCOC2(CCC2)C1 1508106107 ROPUENJVCHLMJI-KRWDZBQOSA-N 461.588 2.261 30 10 JEEE Cc1ccc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCO[C@H](COC(C)C)C2)c(=O)n1C 1510895611 AGGRMMBVQUZADK-QHCPKHFHSA-N 492.580 2.414 30 10 JEEE CC[C@@H](C)NC(=O)CCn1c(CN2CCCC2=O)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1513186989 BAKSZWKOQLCGQR-GOSISDBHSA-N 496.591 2.043 30 10 JEEE CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1514830078 DFPUIVMZMRLJCH-UHFFFAOYSA-N 451.575 2.273 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2CCn2cc(Cl)cn2)c1 1539043821 UTYJYUPSBOBRJR-QGZVFWFLSA-N 453.934 2.388 30 10 JEEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H]1CN(Cc2ccccc2)CCO1 1539153700 IYCLWXDOHNCEIQ-RCZVLFRGSA-N 453.587 2.289 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H](c1cccs1)N(C)C)[C@H]1CCS(=O)(=O)C1 1539212350 VITWBNVVPSWAKV-HKUYNNGSSA-N 470.624 2.331 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccccc1CN(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1539222236 UVMQUWFLBQMCOK-GOTSBHOMSA-N 485.654 2.297 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CCc2ccn(-c3ccc(F)cc3)n2)CC1 1539489114 GVTOGEJUNLLECV-UHFFFAOYSA-N 479.560 2.348 30 10 JEEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](OCC2CC2)C1 1539599508 GROROVSEUWPYEQ-HOTGVXAUSA-N 459.410 2.484 30 10 JEEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@H](C)N(CC)C[C@H]2C)cc1 1540877279 PITRDHKOZAKKRM-OTWHNJEPSA-N 476.647 2.420 30 10 JEEE CCOC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1547822539 GWGXXHSWOBGCGN-UHFFFAOYSA-N 499.597 2.272 30 10 JEEE Cn1cc(C(=O)N2CC3(CCN(c4ccc(C#N)c(C(F)(F)F)c4)CC3)C[C@@H]2C(N)=O)cn1 1548379340 AHXHMQCRWBISGO-GOSISDBHSA-N 460.460 2.297 30 10 JEEE C#CC1(O)CCN(C(=O)[C@H](Cc2cccc(Br)c2)[C@H]2CCS(=O)(=O)C2)CC1 1585305079 KJZBUJLAVRHHKX-FUHWJXTLSA-N 454.386 2.029 30 10 JEEE C#CCN(c1nnc(C(C)C)n1C[C@H]1CN(Cc2ccccc2)CCCO1)[C@@H]1CCS(=O)(=O)C1 1588030085 PILFUZHPPCXNAW-DHIUTWEWSA-N 485.654 2.319 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1Cc1ccc(OC)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1588030695 ZUBZHZIVKUFLRS-GOSISDBHSA-N 491.589 2.019 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1CC[S@@](=O)CC)[C@@H]1CCS(=O)(=O)C1 1588041727 ZDIOCUIGBUVPCG-HOLBHBGLSA-N 472.995 2.133 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccnc1 1588550574 VCRBMMIURYPOEH-QFIPXVFZSA-N 498.584 2.028 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC2CC2)n1CCS(=O)(=O)N1CCSCC1 1588558878 AEYUSSUBIXPZRI-UHFFFAOYSA-N 477.631 2.388 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2Cc2ccc(OC)c(OC)c2)CC1 1588913269 FLTAVCPZEJPSJA-UHFFFAOYSA-N 460.538 2.371 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@](C)(O)c2cccs2)CC1 1588955256 TZDTTZCIFTZIHE-DEOSSOPVSA-N 464.595 2.199 30 10 JEEE C=C(C)Cn1c(N2CCC(NS(=O)(=O)CCC)CC2)nnc1[C@]1(OC(C)C)CCOC1 1593684543 XIBNBLCDODWGRK-NRFANRHFSA-N 455.625 2.193 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2cccc(F)c2F)CC1 1594097269 POTBGEABSZKOKD-SFHVURJKSA-N 467.542 2.288 30 10 JEEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCN1CCN(c2ccccc2)CC1 1594733381 SDUCFNAAYDCWDJ-NRFANRHFSA-N 472.659 2.405 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 1595556567 XVUOEZGNZXBVIT-LJQANCHMSA-N 457.550 2.332 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 1595811861 DPTGNGMZWHCGPT-LJQANCHMSA-N 490.630 2.358 30 10 JEEE CCOC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)CC2CC2)C1 1616014730 HCTPVQFKOQVUBC-HXUWFJFHSA-N 486.598 2.356 30 10 JEEE CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC1CN(C(=O)OC(C)(C)C)C1 1616909294 GVWHHLSWGQSRPO-UHFFFAOYSA-N 482.589 2.275 30 10 JEEE C=CCN1CC[C@H](N(C)Cc2nc3cc(S(=O)(=O)N4CCCCC4)ccc3n2CC)C1=O 1642897011 HZRYYPLXKYRDMF-NRFANRHFSA-N 459.616 2.450 30 10 JEEE N#Cc1ccc(CN2CC[C@@H](NC(=O)N[C@@H](CO)c3cccc(Br)c3)C2=O)cc1 1682021253 CPJWCFTWPNTKDN-MOPGFXCFSA-N 457.328 2.454 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)Nc3ccccn3)n2C[C@](C)(O)CC)c1 1689868707 OZAZPVQECYSMCM-XMMPIXPASA-N 461.526 2.143 30 10 JEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1C[C@H](OCC)C12CCC2 1689892634 KDWDAGHJFFTYTD-UFYCRDLUSA-N 479.647 2.198 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@H](C)Oc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1689992480 LFENGZUBAPNYIF-PZJWPPBQSA-N 495.605 2.367 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(C)cc1C)[C@H]1CCS(=O)(=O)C1 1689998401 LJSYVCADUZRYLT-FKBYEOEOSA-N 472.611 2.294 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCCN(C(C)C)C1 1690101019 LBTPPRXDPUBZTQ-FQEVSTJZSA-N 477.613 2.398 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@@H](C)N2CCOCC2)CC1 1690113277 FKESLRMFIXPKRB-GOSISDBHSA-N 473.419 2.184 30 10 JEEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(CC(=O)N(C)C2CCCCC2)CC1 1690175506 YTUYSHQODOMQGP-FQEVSTJZSA-N 474.675 2.062 30 10 JEEE C=CC1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CCOCCN(C)C)CC1 1690410613 RQNPDTPJQPXKMV-UHFFFAOYSA-N 461.636 2.219 30 10 JEEE C=CCn1c(N2CCCN(S(=O)(=O)c3ccccc3)CC2)nnc1[C@]1(OCC)CCOC1 1690653391 OJUVXEBVTBFMSZ-QFIPXVFZSA-N 461.588 2.017 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(Cc2csc(CC)n2)CC1 1690666848 INVHODKKWJBSQO-UHFFFAOYSA-N 476.610 2.460 30 10 JEEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)Cc1cnc(C)s1 1690670620 GAIZLINOXWPERB-UHFFFAOYSA-N 467.603 2.156 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1690675787 FJBUGKQGKWPBLK-BBRMVZONSA-N 479.368 2.181 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCO[C@](C)(CC)C1 1690723022 FGNUYAVGIZUPFU-JOCHJYFZSA-N 472.571 2.200 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N(C)Cc1nc(O)c2sccc2n1 1690724059 HHNANHHYVGWEGD-CQSZACIVSA-N 478.600 2.120 30 10 JEEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC(C)(C)O1 1693783614 HVYCSZHSQYPHSB-FUHWJXTLSA-N 458.588 2.102 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cscc1C(F)(F)F 1705495907 XLDLHRSTCDJKDV-IUODEOHRSA-N 477.534 2.198 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CC[S@](=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1705570394 MVNZMNQVHWRCJL-RQZFFVEVSA-N 480.631 2.182 30 10 JEEE C#CCN(CC#C)c1nnc(Cn2ccc3ccccc32)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1705585605 VLTKMAKBXDGZSG-XMMPIXPASA-N 471.609 2.297 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)COCc1ccccc1 1705598539 LILMISIEEXKCFE-IRLDBZIGSA-N 454.596 2.496 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCc1cc(C(F)(F)F)ccn1 1705620970 MJBXECYHHGXUKF-UHFFFAOYSA-N 450.465 2.257 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)Oc2cccc(C)c2)CC1 1705632117 IJEJFHDHKNJQKP-FQEVSTJZSA-N 459.554 2.457 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCc2nc(C)c(C)s2)CC1 1705634197 MWJBMUVPZOUGJQ-UHFFFAOYSA-N 484.651 2.420 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc3c(c2)[C@H](C)[C@H](C)O3)CC1 1705644507 SQJKSLUJTUKJHY-MSOLQXFVSA-N 478.597 2.315 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1705699616 JHEGHPRPCRACHT-BJLQDIEVSA-N 460.604 2.148 30 10 JEEE C=CCCCn1c(Nc2cnn([C@H]3CC3(F)F)c2)nnc1[C@H]1CN(S(C)(=O)=O)CCO1 1705824562 TYCNDALMWQFREZ-CABCVRRESA-N 457.507 2.097 30 10 JEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2ccc(F)cc2Cl)C1 1705891008 UVFNUZWSRJSRND-ROUUACIJSA-N 485.969 2.167 30 10 JEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 1705946967 WIFTYWFFDGQNCB-HKUYNNGSSA-N 483.704 2.477 30 10 JEEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCOC(C)(C)C2)CCCO1 1708233798 BRFYABGDELWVQQ-LJQANCHMSA-N 454.575 2.455 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cc2c(cc1OC(F)F)OCO2 1708756746 GVOLJTMJFPIERI-OAHLLOKOSA-N 492.483 2.304 30 10 JEEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CC[C@](C)(O)c1ccccc1 1710734547 HAQIYHQTLRCXNK-DFBJGRDBSA-N 476.585 2.489 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC1CC(OC(C)(C)C)C1 1722293374 CIGVXFJTMJVWSZ-MKCYZYCBSA-N 467.636 2.053 30 10 JEEE C#CCCCn1c(COc2ccc(OC)cc2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1722340465 YOAKUTMPSZPVLO-OAQYLSRUSA-N 480.613 2.412 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CCN(C)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1722363750 BQFPKSIDDSEALE-JOCHJYFZSA-N 470.643 2.155 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2CC)nnc1N1CCN(S(C)(=O)=O)CC1 1722498784 DWKRWDZTIIJVDO-OFNKIYASSA-N 489.642 2.482 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)C1CCCCC1 1722518262 YABGBCABFABNCX-DENIHFKCSA-N 469.652 2.345 30 10 JEEE C=C(Cl)Cn1c(N2CCC(NS(=O)(=O)CCC)CC2)nnc1[C@]1(OC(C)C)CCOC1 1722558315 KLCBJQKEPQDSRJ-FQEVSTJZSA-N 476.043 2.369 30 10 JEEE C=CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCN(CC(=O)NC2CC2)CC1 1722610288 OTGGXOREQOVWNC-UHFFFAOYSA-N 476.423 2.413 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC2(CCCCC2)O1 1722681070 GBGCWYTUXMAOSU-VQTJNVASSA-N 497.662 2.132 30 10 JEEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(Cc2cc(C)no2)CC1 1722685852 JPKGYZWIZSEUJP-LJQANCHMSA-N 473.578 2.391 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC(CCN2CCCC[C@H]2C)CC1 1722698322 YNWFAONGCMBOMD-LJQANCHMSA-N 454.623 2.462 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCc2cc(OC)c(OC)c(OC)c2CC1 1722703050 UJBCACOTNVOVHP-GOSISDBHSA-N 471.558 2.063 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1722705838 ISJGWUCWOYOMMP-MHPIHPPYSA-N 469.586 2.494 30 10 JEEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C(C)(C)C)C1 1722738811 PVWBBOCECWLWHI-SJORKVTESA-N 457.666 2.403 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(=O)N(C)C1CCCCC1 1740538171 DJTIFULTPBBIMI-SFHVURJKSA-N 486.642 2.444 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CC[C@H](OC)C(F)(F)F)c1 1740561477 GBFAVJWGNPNVCF-KRWDZBQOSA-N 480.491 2.440 30 10 JEEE C#CCN(c1nnc(CC)n1C[C@@H](c1ccc(OC)cc1)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1740626567 LVRGWOZLTKQNGD-IRLDBZIGSA-N 471.627 2.313 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccc(C(C)(C)O)cc1)[C@H]1CCS(=O)(=O)C1 1740628871 VQXVBFNCHXNMLO-VQTJNVASSA-N 458.584 2.032 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](c1cccs1)N(C)C 1740724544 FPTHUAGEBKMQRH-RZQQEMMASA-N 450.634 2.245 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(COCCOC)cc1 1740730942 LTGMNZOTIUKHGN-ZJSXRUAMSA-N 472.611 2.384 30 10 JEEE C=C(Br)Cn1c(COc2ccc(F)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1740748456 MWHXYVJOWIUVQE-CZUORRHYSA-N 469.311 2.265 30 10 JEEE C=CCCOCCn1c(N2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)nnc1[C@]1(OCC)CCOC1 1740888040 HQOAMQJIJFGZSY-CSGUBPAMSA-N 450.580 2.296 30 10 JEEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(C(F)(F)F)cc2)CC1 1740963537 NYSWEVOUGXQYGR-UHFFFAOYSA-N 491.518 2.048 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC(=O)N(C)C[C@@H]1C 1740971040 SREANWWMHUVZSR-JLMWRMLUSA-N 455.559 2.282 30 10 JEEE C[C@@]1(C#N)CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2cccc(F)c2)C1 1741983007 DFZYDLJETLTRPB-KNQAVFIVSA-N 476.578 2.123 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CC1(NC(=O)OC(C)(C)C)COC1 1748667009 LQTBNDPOIKOGFG-OAHLLOKOSA-N 479.541 2.346 30 10 JEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)CC2CCCCC2)CC1 1748698167 CXIGBXIJBYSJLO-IBGZPJMESA-N 478.663 2.311 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@H](c1ccc(C)o1)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1748802203 NICBIMHOOLKQLB-PMACEKPBSA-N 489.642 2.177 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCOc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1748818160 WQTDASBUIRXNLN-VQTJNVASSA-N 458.584 2.186 30 10 JEEE C#CCN(c1nnc(CCOc2ccccc2)n1CCN1CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1748821293 OIPSHXRTQCKVOX-FGZHOGPDSA-N 485.654 2.258 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H](Cc1ccccc1)OC)[C@H]1CCS(=O)(=O)C1 1748823766 BIKCWGMZEGSAII-PCCBWWKXSA-N 458.584 2.014 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(C)s1)[C@H]1CCS(=O)(=O)C1 1748823811 BVCAZSXKDSLJJP-LNLFQRSKSA-N 464.613 2.047 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC(=O)N[C@H](C)CC 1748945051 KYKSVXMDNJRSQY-IEBWSBKVSA-N 475.590 2.264 30 10 JEEE C#CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CCCCO1 1748951425 UXGKMXUKCWUNJJ-SFHVURJKSA-N 460.604 2.202 30 10 JEEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@]2(CN(Cc3ccccc3)CCO2)C1 1749170283 JGXKKRGMXYXHLH-RDPSFJRHSA-N 488.658 2.336 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(C)(C)N2CCC(OC)CC2)CC1 1749342477 GMRGHCXWIFWMDT-LJQANCHMSA-N 465.664 2.472 30 10 JEEE C=CCCOCCn1c(-c2ccc(OC)cc2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1749449828 VMROGXUATBMJHR-FQEVSTJZSA-N 468.558 2.313 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCO[C@H](C)C1 1749661149 ZTCBSPQDYVENHC-CYBMUJFWSA-N 450.337 2.244 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1749729380 HVLLPHGWCCKOTH-HSZRJFAPSA-N 459.616 2.155 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 1749735296 RFESVQFUSXKQMD-UHFFFAOYSA-N 477.606 2.455 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2CC)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1749739601 HKHHHIGURDSWHB-QHCPKHFHSA-N 489.598 2.051 30 10 JEEE CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCNC(=O)c2occc2C)CC1 1749851286 NBJNVSJMEQMSRA-UHFFFAOYSA-N 461.526 2.207 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@](C)(O)c1ccco1)[C@H]1CCS(=O)(=O)C1 1760185052 OMQFCCDUDRLVNK-MBSDFSHPSA-N 454.552 2.381 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1760198773 INPQVQMVFHTAJQ-LJQANCHMSA-N 485.610 2.095 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1(O)CC(OCC)C1 1760208774 JKTDIZKLXUHKEU-UHFFFAOYSA-N 469.973 2.254 30 10 JEEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CN(Cc2ccccc2)CCO1 1760224326 GRBXWPPGFJXRCT-OAQYLSRUSA-N 459.554 2.286 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2CC[C@@H](C(F)F)N2CCOCC2)CC1 1760264379 KZEUXVDVKURDFV-FQEVSTJZSA-N 492.546 2.107 30 10 JEEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](N2CCCC2=O)C1 1760285289 BBHUQOBVVDOHSQ-IBGZPJMESA-N 450.568 2.296 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C1CCCCC1)N(C)C)C1CC1 1760477137 QEQUDJCMUDWMKI-SFTDATJTSA-N 480.679 2.276 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(N(C)C)Cc2ccccc2C1 1760495055 DFSVKJAKMNKFDB-NRFANRHFSA-N 455.628 2.458 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)cc1 1760529482 HXCAAFBHAYKENP-YQVWRLOYSA-N 496.655 2.051 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCS(=O)(=O)N(C)C)C1 1760538305 XZTLOSBDCXJNNH-HNNXBMFYSA-N 457.959 2.410 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(=O)OC)CC1 1760548391 FMUVXUVNVXEDAD-INIZCTEOSA-N 481.550 2.046 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC(OC[C@H]2CCCCO2)CC1 1760552498 QAZLBQRHGFRDGI-LJQANCHMSA-N 463.604 2.429 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Br)nnc1N1CCNC(=O)[C@H]1CC 1760553763 ZFUXHULASRNIIK-MRXNPFEDSA-N 482.404 2.023 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1760555942 QUNPZKWGLXGGNS-SFHVURJKSA-N 483.635 2.266 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCO[C@@](C)(C(C)(C)C)C2)nnc1[C@]1(OCC)CCOC1 1760558566 SICXCWGDUOIFKZ-YADHBBJMSA-N 470.636 2.172 30 10 JEEE CCNC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccsc2)CC1 1765647404 DGQSTORNVDOJBU-UHFFFAOYSA-N 465.583 2.097 30 10 JEEE C=CCNC(=O)Nc1ncccc1OCC(=O)Nc1sc(C(=O)OC)c(C)c1C(=O)OC 1858789119 SZAPYBAMYIMMPA-UHFFFAOYSA-N 462.484 2.350 30 10 JEEE O=C(C1=C(O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccc2c(c1)OCCO2)c1cccc(O)c1 1862593293 RHCPAPLUKBBCBV-QFIPXVFZSA-N 466.490 2.074 30 10 JEEE C=CCOc1ccccc1[C@H]1C(C(=O)NCCCNC=O)=C(N)Oc2c1c(CC)nn2CCC 1864326461 CZDJEVBQEFUYMS-HXUWFJFHSA-N 467.570 2.367 30 10 JEEE C=CCN(CC=C)c1nc(NC(=O)/C=C\c2ccc3c(c2)OCCO3)n([C@@H]2CCS(=O)(=O)C2)n1 1870002047 ALLOVNARRSLGLO-XOWYPZSQSA-N 485.566 2.239 30 10 JEEE COc1ccc(-n2nnc(C#N)c2NC(=O)c2ccc(N3C[C@H](C(=O)O)CC3=O)cc2)cc1Cl 1870150856 IRXGXCOWNRQWDR-CYBMUJFWSA-N 480.868 2.491 30 10 JEEE CC(C)N1C[C@@H](c2nnc(SCC(=O)NCc3ccco3)n2/N=C/c2ccco2)CC1=O 1874333849 ZOOUBMKHABMFDL-QCXKMSLLSA-N 456.528 2.479 30 10 JEEE CN(CC1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)CC1)c1ncccc1C#N 1891807993 IYRUJOBDZONZJE-LJQANCHMSA-N 461.522 2.410 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CCS(C)(=O)=O)C(=O)N1CCC[C@@H](B2OC(C)(C)C(C)(C)O2)C1 2124533309 OGIRFRJDWNCWDW-HZPDHXFCSA-N 474.429 2.399 30 10 JEEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(S(N)(=O)=O)cc1Br 2181117012 MIOLKQUKPSPEFY-AWEZNQCLSA-N 460.350 2.342 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N1CC(NC(=O)OCc2ccccc2)C1 2248970422 TXKXGAAFSAKHNO-UHFFFAOYSA-N 451.332 2.440 30 10 JEEE Cc1cc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)sc1B1OC(C)(C)C(C)(C)O1 2255676508 REKIXXHSSXITCK-ZIAGYGMSSA-N 452.382 2.066 30 10 JEEE CC(C)(C)OC(=O)NC1(C(=O)Nc2nc(B3OC(C)(C)C(C)(C)O3)ccc2Cl)COC1 2256675330 FTINJCRKTNDSFG-UHFFFAOYSA-N 453.732 2.266 30 10 JEEE CO[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2267191678 GKYRLYTVDIUPGB-KGLIPLIRSA-N 467.397 2.197 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2267364044 SPXDVSWWEXDQDZ-OAHLLOKOSA-N 470.372 2.413 30 10 JEEE C[C@H](NC(=O)c1nn(C)c(Cl)c1B1OC(C)(C)C(C)(C)O1)C1CN(C(=O)OC(C)(C)C)C1 2267499872 ZYLCJJWXCDIXKU-LBPRGKRZSA-N 468.791 2.358 30 10 JEEE COC[C@@H](ONC(=O)OC(C)(C)C)C(=O)NCc1scc(C)c1B1OC(C)(C)C(C)(C)O1 2268637078 AQXYTUYUHWXJFD-CQSZACIVSA-N 470.397 2.443 30 10 JEEE COC(C)(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2268648921 GAJKMKYARNKGGY-CQSZACIVSA-N 469.413 2.377 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@@H](COc3ncccc3B3OC(C)(C)C(C)(C)O3)O[C@H]2C1 2279888480 FIGXYHYNYTUDMG-SZMVWBNQSA-N 462.352 2.163 30 10 JEEE Cc1c(C(=O)N[C@H]2CCOC[C@@H]2OCc2ccccc2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281798790 MOXOANKTDSXHRQ-OALUTQOASA-N 455.364 2.132 30 10 JEEE CC(C)(C)OC(=O)NCc1nc(NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2Cl)n[nH]1 2282012731 ZUTIXNJJZMXUHZ-UHFFFAOYSA-N 478.746 2.429 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1C[C@@H]2[C@H]1CCN2C(=O)OC(C)(C)C 2282023760 QZWIYQRIYUMFGW-YQQAZPJKSA-N 460.384 2.095 30 10 JEEE CCn1cc(C(=O)NC2CC3(C2)C[C@@H]3NC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2282036705 MINSBTKIZWJNDP-LTIDEOFWSA-N 460.384 2.378 30 10 JEEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CCNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282043240 MGHKOFKCNBJJTM-HZPDHXFCSA-N 462.400 2.342 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1C[C@H](C)N(C(=O)OC(C)(C)C)C1 2282067633 QYPRUKQLIMPELL-GOEBONIOSA-N 462.400 2.403 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@H]2C[C@H]1C[C@@H]2NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2282176273 RLOYDVZDZQAZNT-OHFALNGGSA-N 458.368 2.197 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)Nc1cnn(CCNC(=O)OC(C)(C)C)c1 2282185249 DNUBNTZPVGHVAW-UHFFFAOYSA-N 459.356 2.298 30 10 JEEE Cc1c(C(=O)N2CCCN(C(=O)OC(C)(C)C)C[C@@H]2C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282553413 XWIWPGVVWJUDKN-HNNXBMFYSA-N 462.400 2.499 30 10 JEEE CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1nc(C)ccc1B1OC(C)(C)C(C)(C)O1 2282554963 LTXIKYNJKWPLSK-SJORKVTESA-N 461.368 2.053 30 10 JEEE CON(C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1)C1CCN(C(=O)OC(C)(C)C)CC1 2282557772 ZXUVICXPSTXNDN-UHFFFAOYSA-N 464.372 2.122 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C 2282581177 DPYGATMWEAEDBK-GDBMZVCRSA-N 462.400 2.261 30 10 JEEE CO[C@@H]1CN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2Cl)C[C@H]1NC(=O)OC(C)(C)C 2282609166 FEQBPNUFIDFCOE-HZPDHXFCSA-N 481.786 2.398 30 10 JEEE Cn1cc(C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)c(CNC(=O)OC(C)(C)C)n1 2283969838 DCSIEKNXGHCALH-UHFFFAOYSA-N 477.396 2.131 30 10 JEEE C[C@@H](NC(=O)C1CC(O)(CNC(=O)OC(C)(C)C)C1)c1nscc1B1OC(C)(C)C(C)(C)O1 2283977310 NYBUQFLMMROUJI-JSBZPRQMSA-N 481.424 2.285 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1C(=O)N1CCc2sc(B3OC(C)(C)C(C)(C)O3)cc2C1 2284040714 NPLIVCFTRUJDPW-JKSUJKDBSA-N 478.420 2.472 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1NC(=O)[C@H](CCC(N)=O)NC(=O)OC(C)(C)C 2284053769 SOVSVRFNOCVVBK-INIZCTEOSA-N 461.368 2.392 30 10 JEEE C[C@H](OCc1ccccc1)[C@@H](NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1F)C(=O)O 2284482039 QPJWUJNHPCAUEG-KBXCAEBGSA-N 458.295 2.308 30 10 JEEE CC(C)(C)OC(=O)NC[C@H](O)CCC(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2285185580 CVCDFEKZFVBODY-QGZVFWFLSA-N 466.359 2.407 30 10 JEEE COc1ccc([C@H]2C(=C(O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN(C)C)cc1OC 2296560805 ITKKXQAIFCMAEZ-QFIPXVFZSA-N 468.506 2.458 30 10 JEEE CC(=O)NCc1nnc(SCC(=O)Nc2ccccc2)n1N=Cc1ccc2c(c1)OCCO2 2330718699 OVPWHRMNPUDXTN-UHFFFAOYSA-N 466.523 2.298 30 10 JEEE COc1nc(O[C@@H]2COC[C@@H]2N(C)C(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2339825387 PGYKKNKWAXVNTA-JKSUJKDBSA-N 450.341 2.403 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2CCC[C@H]2NC(=O)OC(C)(C)C)n1C 2362336688 SPUJSXQENNBINV-HZPDHXFCSA-N 462.400 2.451 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@]23CCN(C(=O)OC(C)(C)C)C[C@@H]2C3)n1C 2362339888 LOHOYHSQKAUQFP-NPMXOYFQSA-N 460.384 2.157 30 10 JEEE NS(=O)(=O)c1ccc(NC(=O)CCSc2n[nH]c(N/N=C/c3ccc(F)cc3)n2)cc1 20833255 QKXJEPYYXGFLFM-SRZZPIQSSA-N 463.520 2.158 30 10 JEEE CO/N=[N+](\[O-])CC(=O)N1[C@H](C)CN(S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(N(C)C)cc1 103936607 BNEQPEIXSSHHGW-ZDTAVGCFSA-N 461.544 2.197 30 10 JEEE COc1ccc(OC)c(/C=C/C(=O)[C@@H]2CNCC[C@@H]2NC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)c1 585831057 NDWWUMPMETUQLY-OVJLXPOOSA-N 491.544 2.065 30 10 JEEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)c1 749125686 ATIRDRYQAMDKEU-VPMFXMNOSA-N 496.636 2.353 30 10 JEEE C=CCn1cc(C=NNc2nc(SCC(=O)NCc3cc(OC)cc(OC)c3)n[nH]2)cn1 1083984654 MLKWXCDQKACTJE-UHFFFAOYSA-N 456.532 2.059 30 10 JEEE CC(C)(C)NC(=O)CN1CCC(CNC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)CC1 1222896199 GIELGAPTFWRJNC-UHFFFAOYSA-N 454.619 2.012 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@H](c1cccs1)N(C)C)[C@H]1CCS(=O)(=O)C1 1286395650 SCGLNYXHEMZHEC-VQTJNVASSA-N 484.651 2.255 30 10 JEEE C#CCN(c1nnc(COCC)n1CC1(c2ccc(F)cc2F)CC1)[C@H]1CCS(=O)(=O)C1 1286395727 MUDYKPGNPFYVLM-KRWDZBQOSA-N 464.538 2.451 30 10 JEEE C#CCN(c1nnc(COCC)n1C[C@@H](C)Oc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1286396499 QAEZXVVUOCYXMV-AEFFLSMTSA-N 450.536 2.048 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCC1CCN(CC)CC1 1286409386 QMMUEABZZPWSHI-UHFFFAOYSA-N 457.582 2.387 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(C)n2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1286439615 TXSVWGUYESFGHD-IRLDBZIGSA-N 466.611 2.316 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCN(CCc2ccccc2)C1 1286448503 WNEXWGGJSIPKFA-VXKWHMMOSA-N 455.628 2.204 30 10 JEEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1286542864 DEOPCEIETNRRPA-YZVOILCLSA-N 454.369 2.082 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1286546601 KCCSFPHOGLAOGP-IRXDYDNUSA-N 488.618 2.104 30 10 JEEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1286612524 VLRVYWSEDGMRJB-NRFANRHFSA-N 474.650 2.336 30 10 JEEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1286710099 MLQZVOVHWSFCBT-LJQANCHMSA-N 453.522 2.159 30 10 JEEE C=CCSCCn1c(Cc2ccccn2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1286833505 GAIXGGBDOJUVMI-LJQANCHMSA-N 462.645 2.187 30 10 JEEE COc1ccccc1[C@H](CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)N1CCCC1 1290020953 DNCDHWXKJLZYQP-UWJYYQICSA-N 456.568 2.187 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H](C)N(C)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1300498421 KCUGEEJZTQMRKO-ZJSXRUAMSA-N 492.649 2.411 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@@H]1CCC[C@H]1OC)[C@@H]1CCS(=O)(=O)C1 1300504275 KYCVGUFNUYKQBM-NLWGTHIKSA-N 476.574 2.438 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCS(=O)(=O)NC(C)C 1300643089 HIZQXXZTTAGWOM-KRWDZBQOSA-N 468.624 2.137 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2CC2CCCC2)CC1 1300731322 OFENGGIFVDJFJV-UHFFFAOYSA-N 454.600 2.426 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC(=O)N1CCOCC1 1300817480 MUDUVSKEFZBULW-MHECFPHRSA-N 472.590 2.201 30 10 JEEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCCN(C(=O)Cc2cccc(F)c2)CC1 1300960728 ISSPEVXTOUSCBE-UHFFFAOYSA-N 454.550 2.397 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCOc2ccccc2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1301587917 YXVPKWMDCOYJGP-QIDMFYOTSA-N 460.600 2.098 30 10 JEEE CC(=O)N1CCC(Cn2c(N3CCO[C@H](C#N)C3)nnc2[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)CC1 1301671520 JYJDRVMEWXCAMV-HSALFYBXSA-N 487.605 2.036 30 10 JEEE CC(C)NS(=O)(=O)CCn1c(Cn2ccc3ccccc32)nnc1N1CC[C@@](F)(C#N)C1 1303473705 FMTIXSILBFXBDL-OAQYLSRUSA-N 459.551 2.051 30 10 JEEE COCC[C@](C)(O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1315970032 HPUZVBHIKDKDFE-DEOSSOPVSA-N 462.558 2.029 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3csc(C)n3)n2CCCn2ccnn2)c1 1358902994 IGNFZFIKXRYSQY-UHFFFAOYSA-N 475.582 2.372 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Br)n1C[C@@](C)(O)C1CC1)[C@H]1CCS(=O)(=O)C1 1358959658 NJHFHAFBHAZSGY-HRAATJIYSA-N 493.427 2.495 30 10 JEEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@]1(O)CCC[C@H]1C 1358981799 XYKCNOZWVRBENW-KCWPFWIISA-N 460.626 2.267 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC1CCN(C(C)=O)CC1 1359022465 AODOPJGQKRENIG-UHFFFAOYSA-N 461.570 2.475 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@](C)(O)C2CC2)CC1 1359045736 RIFYOLDKTYOWDR-DEOSSOPVSA-N 457.525 2.274 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1359090225 XHGAEHQGZOZFKD-ULQDDVLXSA-N 484.523 2.000 30 10 JEEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1359283152 WCZOLHAZNYMJAM-UHFFFAOYSA-N 474.009 2.038 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1359304532 AFMZHUSTPQQMLO-FYSMJZIKSA-N 486.548 2.402 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCC(N2CCCNC2=O)CC1 1359330529 VDNOIJAKRJXKAO-UHFFFAOYSA-N 476.578 2.069 30 10 JEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H]3CCN(c4ccccc4F)C3)CC2)cc1 1460634641 AHLQPXODVOOHDM-LJQANCHMSA-N 456.543 2.493 30 10 JEEE O=C(OCc1ccccc1)[C@@H]1CCCCN1C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1467708916 AEDLFZFMYKDKKD-IBGZPJMESA-N 455.536 2.240 30 10 JEEE C=CCSc1ccccc1NC(=O)Cn1c(=O)c(I)cn(C)c1=O 1473012259 AITZUVOZBGYZQN-UHFFFAOYSA-N 457.293 2.068 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1C[C@](C)(O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1507627589 KLPPDIBNMFSMFC-VGSWGCGISA-N 479.002 2.395 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2Cc2ncc(CC)s2)CC1 1507718892 UYAKIPFXBXOERV-UHFFFAOYSA-N 499.666 2.018 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(COCC)cc2)CC1 1507739112 MUVCPNRNYWLXEI-QFIPXVFZSA-N 451.571 2.333 30 10 JEEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](Cc2ccccc2)C1 1507751398 NUHZGHVWXXIDMA-RTWAWAEBSA-N 489.667 2.046 30 10 JEEE C=CCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 1507910678 ZSPPQLHAQWBJEJ-UHFFFAOYSA-N 498.657 2.410 30 10 JEEE C=CCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCN(C(C)=O)CC1 1507955980 XZVDCRVPUWGUCN-UHFFFAOYSA-N 451.619 2.278 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1C[C@@H](COC)O[C@H](C)C1 1508073602 OFFNMWYWMRRKSE-MSOLQXFVSA-N 450.543 2.344 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N(C)Cc1ccc([S@@](C)=O)cc1 1508135967 DBJXABKWFWHBSQ-SSEXGKCCSA-N 461.613 2.258 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(Cc2ccsc2)CC1 1508142551 UALSALJYAZILCY-IBGZPJMESA-N 465.645 2.157 30 10 JEEE CC[C@@H](C)NC(=O)CCn1c(C2CCC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1513180140 GNMHVTUNDZSJHI-MRXNPFEDSA-N 453.595 2.091 30 10 JEEE CCN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CC1(N2CCCC2)CCOCC1 1515769803 ANTSYRYHDSEMMJ-UHFFFAOYSA-N 486.642 2.333 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(c2ccccc2OC)CCC1 1539238805 CJBZWHQNIKZRSU-GOSISDBHSA-N 455.584 2.092 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@](O)(c1ccccc1)C(F)(F)F 1539323609 HTBPQUCTBHPYRR-UTKZUKDTSA-N 480.512 2.093 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2csc(C)n2)n1C[C@]1(O)CCN(C)C1 1539392507 SJUMPADCELYMEO-QHCPKHFHSA-N 454.575 2.479 30 10 JEEE C#CCN1CCN(c2nnc(COCC)n2C[C@H]2CC3(CC3)CN2C(=O)OC(C)(C)C)CC1 1539462614 JTUHEOKESVQHCK-LJQANCHMSA-N 458.607 2.359 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCCOc2cccc(OC)c2)CC1 1539481366 MBKUKPNYAZUPIC-FQEVSTJZSA-N 467.570 2.226 30 10 JEEE C#CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@](C)(C(=O)NC)C1 1539490504 DJQJWBFPYBLWQT-QFIPXVFZSA-N 475.018 2.190 30 10 JEEE C#CCSCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1539524648 LSOGVAYELYBHCP-GOSISDBHSA-N 486.667 2.482 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN1CCOC[C@@H]1C 1539540766 TYVQZXCOCVDYAI-FDDCHVKYSA-N 457.600 2.061 30 10 JEEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C(C)C)C1 1539751391 MJEUWCGRJMLAJM-OALUTQOASA-N 455.625 2.076 30 10 JEEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1539804633 YYNVGTKYVOTWIR-JYJNAYRXSA-N 466.970 2.054 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2(CCOCC)CC2)CC1 1539890849 ULGFNPJGUHMGMS-IBGZPJMESA-N 467.636 2.220 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(C)=C(Br)C1 1540866410 MNTWCSYGOTZLTJ-UHFFFAOYSA-N 484.362 2.102 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1540899498 QIDGSMWXCIXJFW-HOTGVXAUSA-N 497.371 2.423 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCC(NC(C)=O)CC1 1540901919 UUGYXUAQZTYZPZ-UHFFFAOYSA-N 470.599 2.143 30 10 JEEE C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2c(C)noc2C)CC1)c1ccc(Cl)cc1F 1565001804 DDCPUUFOASGOQB-QGZVFWFLSA-N 454.911 2.474 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN(C)C2CCCC2)c1 1587693125 PHMYTIJJWYAGLL-FQEVSTJZSA-N 498.653 2.111 30 10 JEEE C#CCN1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCSCCCO)CC1 1588806151 IEEOCLKXVHOCLQ-UHFFFAOYSA-N 451.600 2.002 30 10 JEEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2CCNC(=O)c2cccs2)CC1 1588837371 RGLGBUGBVDSQEP-UHFFFAOYSA-N 470.549 2.394 30 10 JEEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CC1COC(C)(C)OC1 1589053606 RETJHLXJTCNBFQ-UHFFFAOYSA-N 482.610 2.394 30 10 JEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 1589060588 UKRGNTWSFPHIOJ-DLBZAZTESA-N 462.620 2.337 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCO[C@H]1C(C)C 1589664300 XPAFEFSGTNHZES-AABGKKOBSA-N 469.652 2.465 30 10 JEEE C=C(Cl)Cn1c(N2C[C@H](C(=O)NCCOC)CC[C@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 1593932324 HBIRFAAUEIKGGM-JBYIUTFZSA-N 470.014 2.439 30 10 JEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1594813385 RRAWMKVPUQIPFQ-CQSZACIVSA-N 486.520 2.144 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(N2CCCC2=O)CC1 1595772676 GGLWSBGNYRONHA-UHFFFAOYSA-N 479.006 2.186 30 10 JEEE CCC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(c3ccc(C#N)cn3)CC2)CCCC1 1613734509 IBISGYHAEFSPMU-GOSISDBHSA-N 486.646 2.452 30 10 JEEE COc1ccccc1-c1nnc(N(CCC#N)CC2CC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1619385635 GTMRZQHVCRBAJM-SFHVURJKSA-N 458.588 2.365 30 10 JEEE COCCN(C)CCn1c([C@H]2CCOC2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1619880885 HLNMOQVVKQCFGL-FQEVSTJZSA-N 454.575 2.280 30 10 JEEE C#CCOc1ccc(CNC(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)cc1 1622745110 GHFSMAPRSBRJEO-UHFFFAOYSA-N 459.524 2.050 30 10 JEEE C=C[C@](C)(O)CC(=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2Cl)CC1 1628216128 KUKFTLBQTYQZHM-INIZCTEOSA-N 451.770 2.263 30 10 JEEE Cc1nn(C)c(N2CCN(C(=O)N[C@@H](C)c3ccc(NC(=O)NC4CC4)cc3)CC2)c1C#N 1676769734 BJGFZBMGIAFKTL-HNNXBMFYSA-N 450.547 2.477 30 10 JEEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1689874843 CJTQFVWZYNNIEZ-HXUWFJFHSA-N 492.628 2.298 30 10 JEEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(CC(C)C)C(=O)C1 1689879896 KYIBTOMHINWQPW-UHFFFAOYSA-N 457.600 2.457 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@H]1CCCN(C(C)C)C1)[C@H]1CCS(=O)(=O)C1 1689985970 GJEHJVLPCUFIOZ-PMACEKPBSA-N 458.632 2.031 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccc(Br)cc2)n1CCc1n[nH]c(C)n1 1690026651 HMKAGEJYCLWMSZ-UHFFFAOYSA-N 454.332 2.362 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1cnccc1OC 1690043445 BMTDLIZDYDLCJU-UHFFFAOYSA-N 453.506 2.107 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCOC(C)(C)C1 1690091056 IEFDLIYZLLNRCC-FQEVSTJZSA-N 489.617 2.070 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2CCSC2(C)C)n1 1690109124 HNDLBNDVZABOSI-PKOBYXMFSA-N 471.631 2.244 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1690139985 HHVUVOMRRNXGBV-FQEVSTJZSA-N 499.015 2.488 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)CC1 1690146394 MTZBQHJHAOQDGK-HKUYNNGSSA-N 474.606 2.003 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCNS(C)(=O)=O 1690264878 FUJIJWZKQATZID-QGZVFWFLSA-N 470.640 2.344 30 10 JEEE C=C(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(CCOC(C)C)CC1 1690284707 SYAKPWMSQXAYQB-UHFFFAOYSA-N 451.575 2.315 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)Cc1ccc(OC)cc1OC 1690288334 SBOADSGDBUWNEO-FQEVSTJZSA-N 479.603 2.231 30 10 JEEE C=CCC(C)(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1690422276 JSMSPXHPCRLCCF-IBGZPJMESA-N 495.671 2.421 30 10 JEEE C=CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(CC(=O)N(C)C)CC1 1690461348 YAVIZVDOCNUBPE-UHFFFAOYSA-N 492.628 2.241 30 10 JEEE C=CCCOCCn1c(-c2cccc(C)n2)nnc1N1CCN(c2nccc(OC)n2)CC1 1690507750 VSHHBGPJZYVBLC-UHFFFAOYSA-N 450.547 2.366 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@@H](COC)C2)cc1 1690678894 DKIXFQRDIXEVMN-HXUWFJFHSA-N 464.526 2.390 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](N2CCCC2)C1 1690720488 KOGLLGFGPJICEH-NRFANRHFSA-N 454.600 2.482 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@@](C)(CC)C1 1690722416 INQIZRHBAPZRHI-OAQYLSRUSA-N 480.660 2.465 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC(O)(Cc2cccc(C)c2)CC1 1690724435 OWHJCDVHCRGHFW-NRFANRHFSA-N 474.627 2.265 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C2CC2)C1 1690731414 KBPNJZYVAZOSSX-IPMKNSEASA-N 495.646 2.470 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCOC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1705561026 MVKVAIGBZRHEQA-VYDXJSESSA-N 496.431 2.335 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H](C)Oc1ccccc1F)[C@H]1CCS(=O)(=O)C1 1705565147 GRQCJMSNEIWWOI-KSZLIROESA-N 462.547 2.015 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC(F)(F)F)cc1 1705583195 SBDFIOINMODGJU-MRXNPFEDSA-N 452.458 2.200 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(Br)c2)n1CCS(=O)(=O)N(C)C 1705592165 REYFBWGNWXNTCY-UHFFFAOYSA-N 464.389 2.062 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccccc1N1CCOCC1 1705603025 HVOHMYDRCQMIRI-UPVQGACJSA-N 463.582 2.350 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(Br)cs1 1705628579 KWXPXELHOCHVIZ-CYBMUJFWSA-N 473.418 2.139 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CCc2c(C)noc2C)CC1 1705649827 GFGFXVSHSSWZQR-UHFFFAOYSA-N 467.599 2.447 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1ncnn1CC(F)F 1705693022 ANLZSVLGQKUNBT-DNVCBOLYSA-N 487.515 2.400 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(OCC(N)=O)CC1 1705694617 DBKGBQLHKBJLKY-DENIHFKCSA-N 450.543 2.269 30 10 JEEE C=CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1705818358 HINMEQMLHFQQLB-YLJYHZDGSA-N 480.569 2.391 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@H](C)CC1 1705896551 QHMWSEXSIKICBJ-QGZVFWFLSA-N 460.604 2.124 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2NC(=O)CC2(C)C)C1 1705929269 MVZBGFUFEDTYCG-VQTJNVASSA-N 450.543 2.425 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCO[C@@H](c3ccc(F)cc3)C2)nnc1[C@@]1(OCC)CCOC1 1705939060 RARAEEKXCJILLT-NFBKMPQASA-N 494.589 2.248 30 10 JEEE CNC(=O)c1cccc(Cn2c(C3CCN(c4ncccn4)CC3)nnc2N(C)C[C@@H](C)C#N)c1 1711332263 DZWZZJHTVQRMHZ-SFHVURJKSA-N 473.585 2.456 30 10 JEEE C#CCN(c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@H](COC)OC)[C@@H]1CCS(=O)(=O)C1 1722358758 FWWCQDXTLLHNTJ-UHOSZYNNSA-N 492.667 2.420 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1Cc1snnc1C)[C@@H]1CCS(=O)(=O)C1 1722366805 SMNBZEBXAJITRT-JKSUJKDBSA-N 490.586 2.392 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[S@](=O)C(C)(C)C)CC1 1722432594 BJGLDQFRJDUVAS-NDEPHWFRSA-N 467.437 2.338 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCNC(=O)c2cccc(C)c2)CC1 1722434500 QAIHZXIEIUNQBZ-UHFFFAOYSA-N 463.973 2.487 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CCOc2ncccc2F)CC1 1722449493 TXTOBGXDZOOVCG-UHFFFAOYSA-N 483.573 2.213 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC2C[C@H](C)O[C@@H](C)C2)CC1 1722452760 KOJTZXZQDRDFNZ-GPHNJDIKSA-N 473.618 2.172 30 10 JEEE C#CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H]2C[C@H]1CO2 1722461224 MLYXTNWHFSZMGP-OKZBNKHCSA-N 463.604 2.321 30 10 JEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1722536228 SSWMEVXXZJXBNA-UHFFFAOYSA-N 463.586 2.187 30 10 JEEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1722581538 DOBQPAQLZMJKKR-IRXDYDNUSA-N 454.641 2.232 30 10 JEEE C=CCCCCn1c(COc2ccc(C)cc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1722606218 HZIYARBUEKUEAG-UHFFFAOYSA-N 466.586 2.449 30 10 JEEE C=CCCCn1c(N2CCN([C@H](C)C(=O)N3CCCC3)CC2)nnc1[C@@]1(OCC)CCOC1 1722623626 WNHYGUVIPAYAMX-HYBUGGRVSA-N 460.623 2.029 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(N(C)C)CCC[C@H](C)C1 1722681793 SMTWTAPVSPQNBJ-JQVVWYNYSA-N 453.653 2.330 30 10 JEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1722686197 TWYWQWYITGKJDS-HOTGVXAUSA-N 450.540 2.049 30 10 JEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](COc2ccccc2)C1 1722738542 KSQWGQPLSFCMST-UYAOXDASSA-N 478.640 2.384 30 10 JEEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCNC(=O)c1ccc(C)c(F)c1 1727607122 HYUUSZGVDOVXEE-QGZVFWFLSA-N 477.548 2.095 30 10 JEEE C#CCN(c1nnc([C@@H](C)OCCOC)n1Cc1ccc(F)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 1740617787 XIHWLKPLWIUURR-NVXWUHKLSA-N 484.981 2.470 30 10 JEEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc(S(C)(=O)=O)cc1 1740668895 DEJSHQLYHFVJPL-UHFFFAOYSA-N 486.623 2.150 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccn(-c2ccc(F)cc2)n1 1740671305 DDPJZQCVWXLHCM-QGZVFWFLSA-N 456.547 2.207 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCCCC2=O)CC1 1740701765 PHFYMTDWMRBXGT-UHFFFAOYSA-N 473.581 2.185 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H](OC)C(CC)CC 1740732350 ZYWCUYZVQUIDGE-MIZPHKNDSA-N 481.663 2.444 30 10 JEEE C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1740780638 GMVYGVKMHUGCOY-IBGZPJMESA-N 454.531 2.305 30 10 JEEE C=C(C)COCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(C(C)=O)C[C@@H]1C 1740788208 PTKXFOGCEKXYHQ-KRWDZBQOSA-N 489.646 2.196 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1cccc(C(=O)N(C)C)c1 1740932484 OYGKJIJHWLUXPW-FQEVSTJZSA-N 457.600 2.303 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCCN(C(C)C)CC1 1740953302 BEVKKBYKFHUQEO-UHFFFAOYSA-N 472.590 2.194 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H]2CCCCO2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1740969629 UFUDMCGZPQHJJX-SBHAEUEKSA-N 456.543 2.493 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3nn(CCC)c(=O)c4ccccc34)n2CC(=O)NC(C)C)C1 1740978743 BQALADOVHPBIBT-SFHVURJKSA-N 479.585 2.371 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(Cc3ccsc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1740983926 SLTWPKCSUHAFQC-UAFUQJIBSA-N 454.556 2.238 30 10 JEEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1740995447 MKPMTMRAQZZPJC-LJQANCHMSA-N 459.620 2.152 30 10 JEEE CC[C@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1743886611 AZUHDOQHSHLESB-QFBILLFUSA-N 458.588 2.135 30 10 JEEE CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC=C(c2ccc(C#N)cc2)CC1)OC 1744115833 CPKNXOCHANFWIV-OXQOHEQNSA-N 458.588 2.479 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1748804315 FSQRCHRSBQVPAR-AZUAARDMSA-N 475.590 2.280 30 10 JEEE C#CCN(c1nnc(-c2ccc(OCCC(C)C)cc2)n1CC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1748809358 LLUCGXPCMAFASH-HXUWFJFHSA-N 487.626 2.085 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1Cc1nnc(CC)s1)[C@H]1CCS(=O)(=O)C1 1748809834 WNUGWLOKXIUMTJ-INIZCTEOSA-N 472.596 2.043 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1Cc1snnc1C)[C@H]1CCS(=O)(=O)C1 1748809942 XQRHLTQBBGSLPS-SFHVURJKSA-N 456.597 2.342 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Cl)n1CC1([S@](C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1748810082 RVJABOQAPVIIPI-WNNBVUDTSA-N 467.016 2.136 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1CCN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1748821356 QCHSJOGABZJCMA-JOCHJYFZSA-N 455.628 2.176 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccccc1CC)[C@@H]1CCS(=O)(=O)C1 1748823829 CBHRLYLNCDCAAB-BDTNDASRSA-N 472.611 2.240 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@H]1CCC(=O)N1 1748957128 VZAKCVNJALTPIP-OAHLLOKOSA-N 462.348 2.081 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccnc(SC)c2)CC1 1749001088 HWDUMRVXCUSAFH-UHFFFAOYSA-N 483.642 2.328 30 10 JEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 1749020387 RBUOKPIJBMOANM-GOSISDBHSA-N 460.648 2.258 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2F)n1CCS(=O)(=O)N1CCSCC1 1749078556 MSMHPSLKEZALGZ-JOCHJYFZSA-N 493.630 2.367 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCC(N2CCCNC2=O)CC1 1749117966 ARPLJCSHGCRTRS-SBHAEUEKSA-N 476.622 2.367 30 10 JEEE C=C(C)COCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1749219899 WNULDDYAUSGQQB-KRWDZBQOSA-N 479.603 2.025 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCN2C[C@@H](C)C[C@@H](C)C2)CC1 1749303812 PSCFQUHDSPRJPX-HBMCJLEFSA-N 480.679 2.135 30 10 JEEE C=CCN(C)c1nnc([C@H]2COc3ccccc3O2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1749493458 FXCHCEXVJKMCBX-WIYYLYMNSA-N 454.575 2.356 30 10 JEEE C=CCN(CC=C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@]1(O)CCSC1 1749561806 XCRBPSBPZGLBJN-NRFANRHFSA-N 463.629 2.242 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1749738076 DOIBAGVQYDOYFM-XXBNENTESA-N 460.600 2.048 30 10 JEEE C=CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCCN(C(C)=O)CC1 1749756517 YMQQUCUMGXEYOL-UHFFFAOYSA-N 470.647 2.430 30 10 JEEE Cc1nc([C@@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCC(=O)NC(C)C)CCO2)no1 1751761934 COIZHKMVAWKTOP-SFHVURJKSA-N 450.503 2.001 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CC1(CCOC)CC1)[C@H]1CCS(=O)(=O)C1 1760181036 OOTUUCWMVDKNFV-INIZCTEOSA-N 496.431 2.479 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1cccc(COC)c1)[C@@H]1CCS(=O)(=O)C1 1760185419 WYVHARSPJRMAQY-HXUWFJFHSA-N 451.552 2.162 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C/C=C\c1ccccc1)[C@H]1CCS(=O)(=O)C1 1760191827 OBRGRZPANDPBIO-GIVJRHHMSA-N 464.595 2.480 30 10 JEEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1760224222 CAQPETGNWOFWRR-MRXNPFEDSA-N 465.480 2.038 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1N(C)CCCC1(C)C 1760247932 VLNFHWXDARGWOP-OAQYLSRUSA-N 477.613 2.398 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2CCCN2C[C@H](C)O[C@@H](C)C2)CC1 1760254714 HQOQIMYUMIRZOM-SFTDATJTSA-N 452.603 2.208 30 10 JEEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1760276066 RORVCLYNYYMOIM-MJGOQNOKSA-N 459.641 2.388 30 10 JEEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCN(c2nc(C)cc(OCC)n2)CC1 1760284416 LZSOXPWJUHGHPF-UHFFFAOYSA-N 478.626 2.454 30 10 JEEE C#CCSCCn1c(N2CCN3C(=O)N(CC(C)C)C[C@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1760286070 AZQQWEHYSHUFSM-HYBUGGRVSA-N 490.674 2.267 30 10 JEEE C#CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CCOC)C(=O)C1 1760287083 FQYGICLJVLNWES-SFHVURJKSA-N 492.646 2.012 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(=O)NCCCC)C1 1760322912 ZBLLQTXVTLYOTP-CGXNFDGLSA-N 493.674 2.294 30 10 JEEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)c2ccsc2)CC1 1760373962 FZJAAGOSDWTTLO-HNNXBMFYSA-N 470.020 2.393 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1CCOCC1 1760481165 OUUOAZQZZKBWGV-NRFANRHFSA-N 473.643 2.484 30 10 JEEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](Nc2cc(OC)cc(OC)c2)C1 1760506775 MMNHBYMTKORPOT-CVEARBPZSA-N 464.592 2.172 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 1760523854 JKJDAISFRVZYSG-KRWDZBQOSA-N 487.992 2.378 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1760526093 DGXYTCXGXALRPB-UHFFFAOYSA-N 492.628 2.222 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccc3F)n2CCS(=O)(=O)N2CCSCC2)C1 1760546120 IYJNVJCKHGLUHW-LJQANCHMSA-N 495.646 2.168 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCN(Cc2cc(C)on2)CC1 1760552221 GZQXPGNGPOLNGX-UHFFFAOYSA-N 486.598 2.173 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCC(CC(=O)N(C)C)CC1 1760556810 QORBKJUNWKQONU-UHFFFAOYSA-N 473.643 2.473 30 10 JEEE CC1CCN([C@@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C)C(=O)C2)CC1 1762947801 DABLASLUNNVUCX-IBGZPJMESA-N 451.575 2.128 30 10 JEEE C[S@](=O)Cc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@@](C)(C#N)C2)cc1 1771371689 DATRPHQJIUOCAT-QKLIORBZSA-N 475.640 2.237 30 10 JEEE N#CC1CCN(c2nnc(CNC(=O)c3cccs3)n2CCC(=O)N2CCCCC2)CC1 1771535990 FZETZAJBMVJULB-UHFFFAOYSA-N 455.588 2.412 30 10 JEEE CCOc1cc([C@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2CCCNC=O)ccc1O 1862745164 CCQGXLRNKFOQTB-FQEVSTJZSA-N 469.450 2.414 30 10 JEEE C=CCn1c(C(=O)NCc2ccc(OC)c(OC)c2)cc2c(N3CCN(C)CC3)ncnc21 1873596282 PXZSVVIVWCAQFJ-UHFFFAOYSA-N 450.543 2.316 30 10 JEEE CCOc1ccc(CCc2nnc(SCC(N)=O)n2/N=C/c2ccc(O)c(O)c2)cc1OC 1874200180 OYEVZJOFHOYIOV-WYMPLXKRSA-N 471.539 2.341 30 10 JEEE COC(=O)c1ccc(CSc2nnc(CNC(C)=O)n2/N=C/c2ccccc2C(=O)O)o1 1874433102 DJJFDXNRRBJEQP-LSFURLLWSA-N 457.468 2.167 30 10 JEEE COc1cc(Br)cc(/C=N/n2c(SCC(N)=O)nnc2[C@H]2CCCO2)c1O 1874444765 KMETZDZGNZLZSP-FQDFOOGXSA-N 456.322 2.066 30 10 JEEE C#CCC[C@@H](NC(=O)c1cc(I)cc(I)c1O)C(=O)O 2159130932 XRTIFTWOJLSZAD-SNVBAGLBSA-N 499.042 2.198 30 10 JEEE CN(C(=O)[C@@H](CCC(N)=O)NC(=O)OC(C)(C)C)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2206160664 NXGBIOGKDYHRST-QGZVFWFLSA-N 461.368 2.107 30 10 JEEE CC(C)(C)OC(=O)N1CC(CO)(CNC(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2255535396 UYTJRCWOTWBTTA-UHFFFAOYSA-N 452.382 2.007 30 10 JEEE CC1(C)OB(c2cc(S(=O)(=O)N3CC(NC(=O)OCc4ccccc4)C3)ccc2F)OC1(C)C 2255933837 UBSXLBFWBUVKHY-UHFFFAOYSA-N 490.362 2.424 30 10 JEEE C[C@H](c1cscc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)[C@@H](O)CNC(=O)OC(C)(C)C 2256617331 IJPXJOWKHZUQHZ-CJNGLKHVSA-N 454.398 2.452 30 10 JEEE C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1nn(C)c(Cl)c1B1OC(C)(C)C(C)(C)O1 2267184425 MOQYNOIOPNHGRN-CYBMUJFWSA-N 468.791 2.454 30 10 JEEE CC(C)(C)OC(=O)N[C@@]1(CO)CCCN(C(=O)c2occc2B2OC(C)(C)C(C)(C)O2)C1 2267186532 KVSUGBMRWYRMMB-QFIPXVFZSA-N 450.341 2.071 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](C(=O)NC/C=C/B2OC(C)(C)C(C)(C)O2)S(=O)(=O)C(C)(C)C1 2273726045 APTDWFSMXXFIPG-AUECHBEKSA-N 472.413 2.103 30 10 JEEE COc1ccc(CNC(=O)[C@H](C)ONC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2278708661 ZWUBCEQLMMMDOJ-AWEZNQCLSA-N 450.341 2.455 30 10 JEEE CCn1cc(C(=O)N[C@@H]2CCOC[C@H]2NC(=O)OCc2ccccc2)nc1B1OC(C)(C)C(C)(C)O1 2282042412 GUWZOUPWCPBLMT-UYAOXDASSA-N 498.389 2.016 30 10 JEEE C[C@@H]1OC2(CNC(=O)OC(C)(C)C)CC1(NC(=O)c1cc(B3OC(C)(C)C(C)(C)O3)c[nH]1)C2 2282194931 GPXWTFVHJAOVNU-WVSTVCSASA-N 461.368 2.259 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1COCCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)c(F)c2)C1 2282464305 LLFQVQOCZDPXKY-INIZCTEOSA-N 464.343 2.491 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC(N(C)Cc2ccccc2)C1 2282494767 CAEYIUDRQSWFGE-UHFFFAOYSA-N 472.416 2.499 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C(F)F)n1 2282534278 FBNOTFWFPPYGCO-AEFFLSMTSA-N 460.334 2.215 30 10 JEEE Cn1cc(C(=O)N2[C@H]3CC[C@H]2[C@H](CNC(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)n1 2282588157 DLRJWXXZCQVFCN-ZOBUZTSGSA-N 460.384 2.237 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)n1 2282590845 HRKUYUWLGUGCMC-ZMSDIMECSA-N 460.384 2.187 30 10 JEEE Cn1nc(C(=O)N[C@@H]2C[C@H]3C[C@H]2CN(C(=O)OC(C)(C)C)C3)cc1B1OC(C)(C)C(C)(C)O1 2282624045 JOJNVPQMSKTAAD-OWCLPIDISA-N 460.384 2.095 30 10 JEEE C[C@@H]1Cc2cc(C(O)=C3C(=O)C(=O)N(CCN4CCOCC4)[C@H]3c3cccc(O)c3)ccc2O1 2296226398 HUDXMGLAYWAIDP-MWTRTKDXSA-N 464.518 2.470 30 10 JEEE COc1ccc(C(O)=C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(O)cc2)c(C)c1 2297742298 GIFXDXOSAMKOAT-QFIPXVFZSA-N 452.507 2.463 30 10 JEEE C[C@@H](C(=O)O)N(Cc1ccccc1)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2319293263 NYCUJOMQJHOKRA-AWEZNQCLSA-N 466.390 2.247 30 10 JEEE CC(C)(C)OC(=O)N1CC(CNC(=O)c2cc(F)c(B3OC(C)(C)C(C)(C)O3)cc2O)C1 2339402502 MPSKXMIQWXDSHI-UHFFFAOYSA-N 450.316 2.427 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NC2(C(=O)O)CCN(C(=O)OC(C)(C)C)CC2)C1 2352111395 WRXHQOQNKFBTRR-UHFFFAOYSA-N 465.547 2.264 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2[C@H](C)CN(C(=O)OC(C)(C)C)C[C@H]2C)n1C 2362492637 CXPRYESNLVLDGX-HUUCEWRRSA-N 462.400 2.498 30 10 JEEE CC1(C)OB(c2cc(O)c(C(=O)N3CC[C@](C)(NC(=O)C(F)(F)F)C3)cc2F)OC1(C)C 2364883981 JQEGOGJJGNABEP-IBGZPJMESA-N 460.233 2.114 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](CNC(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)N2CC[C@H]1C2 2368743765 ZORJVVUMRMYZEZ-HOTGVXAUSA-N 477.436 2.471 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)O[C@H](C)C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc2C1=O 9701566 BKQKEEYQQXTYTI-MRXNPFEDSA-N 488.500 2.450 30 10 JEEE C=CCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2csc([N+](=O)[O-])c2)c1=O 603986334 VLPILIVYZIHTBJ-UHFFFAOYSA-N 453.501 2.460 30 10 JEEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)CNS(=O)(=O)c1ccc(C)c(C)c1 912374581 BTSZCRDHHJXAHQ-SFHVURJKSA-N 473.551 2.469 30 10 JEEE C=CCn1cc(C=NNc2nc(SCC(=O)NCCc3ccc(OC)c(OC)c3)n[nH]2)cn1 1084005559 VFHRFZUBBQFSME-UHFFFAOYSA-N 470.559 2.101 30 10 JEEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)c1cnn2c1OCC(C)(C)C2 1194813714 UKUHMXIPEUFIKN-UHFFFAOYSA-N 452.577 2.325 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CC1(C)CCCC1)[C@@H]1CCS(=O)(=O)C1 1286398737 NVMRDSHQNTUGTM-OTWHNJEPSA-N 450.605 2.209 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(Br)c2)n1CC1(C(N)=O)CCOCC1 1286403789 LVNRHOQWLKFWKX-UHFFFAOYSA-N 486.370 2.071 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2CC[S@@](=O)CC)CC1 1286474991 ULIRGHVONRSXAJ-LJAQVGFWSA-N 480.432 2.240 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2CCCNC(=O)C(C)C)CC1 1286491070 DCWZKAFBJVBPKF-UHFFFAOYSA-N 486.567 2.275 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(F)cn2)CC1 1286546017 FJNHHGZIOWZJME-YLJYHZDGSA-N 457.554 2.258 30 10 JEEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(CC2CC2)CC1 1286604580 NFSPWONTDHLJHT-UHFFFAOYSA-N 459.616 2.473 30 10 JEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](N2CCCC2)C1 1286688706 SNBHOILFOPZDNQ-UXHICEINSA-N 466.652 2.032 30 10 JEEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccc(Cl)cc2C1 1286711016 HEWNPDPGBOKMKS-FQEVSTJZSA-N 496.033 2.420 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCOC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1286739982 AJVYLYBECWPBAC-UXHICEINSA-N 475.615 2.265 30 10 JEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](N2CCCC2=O)C1 1286776457 ZHHHXJUFGVQCGB-ROUUACIJSA-N 460.579 2.364 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H](CC(C)C)C1 1286782510 XBDXIKUHEINYKP-GOSISDBHSA-N 474.631 2.370 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1286802320 AEMJZRMOAXPECE-FXAWDEMLSA-N 461.588 2.017 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCN(C)C(=O)[C@@H]1C 1286816298 FEUDIDPWIWDHMQ-KRWDZBQOSA-N 468.583 2.069 30 10 JEEE C[C@@H](Cn1c(COc2ccc(Br)cc2)nnc1N1CCO[C@H](C#N)C1)N1CCOCC1 1288672655 AHAWRJGRPGXXJD-QFBILLFUSA-N 491.390 2.069 30 10 JEEE CCC[C@](C)(O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(c2ccccc2C#N)CC1 1293816019 BBOUANFLCDMZHF-DVECYGJZSA-N 451.575 2.369 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccccc1CN1CCC(O)CC1 1300268165 NZMREFBAWQRLBX-LJQANCHMSA-N 473.581 2.388 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C)COC)c1 1300331311 ILIBESSAFBZCLM-QGZVFWFLSA-N 461.526 2.264 30 10 JEEE C#CCCCCn1c(N2CCN(Cc3c(C)nn(C)c3C)CC2)nnc1[C@@]1(OCC)CCOC1 1300377000 QEDJKKQGMAIXJY-RUZDIDTESA-N 469.634 2.406 30 10 JEEE C#CCCCn1c(N2CCC(CNC(=O)C(F)(F)F)CC2)nnc1[C@@]1(OCC)CCOC1 1300425405 UMOPOJFVAZZNCD-HXUWFJFHSA-N 457.497 2.239 30 10 JEEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1CC1=CCCCC1)[C@H]1CCS(=O)(=O)C1 1300504769 RSPQNZYDYGWTTC-SFHVURJKSA-N 473.624 2.397 30 10 JEEE C#CCN1CCN(c2nnc(-c3nn(C(C)C)c(=O)c4ccccc34)n2CC(C)(C)OC)CC1 1300698415 SNFPLXXUDPTVOA-UHFFFAOYSA-N 463.586 2.416 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H]2CCCO[C@H]2C(C)(C)C)CC1 1300719872 TYQZVAFSDDXHJL-TZIWHRDSSA-N 467.618 2.486 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(C)CCCO1 1301363088 OHBDWDMVQQHTGV-GHTZIAJQSA-N 481.644 2.434 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1301577125 FMOMWJCAGQURHG-UHFFFAOYSA-N 484.582 2.113 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(Cl)cc2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1301592866 FMDWVHXDDPVBNT-OAQYLSRUSA-N 495.989 2.142 30 10 JEEE CN(C)C(=O)COc1cccc(Cn2c(Cc3ccncc3)nnc2N2CC[C@](F)(C#N)C2)c1 1314644869 ATNBPYXDTOYMDU-DEOSSOPVSA-N 463.517 2.221 30 10 JEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(CC(=O)N(C)C)CC1 1358922653 MICYNZHQQXATGG-UHFFFAOYSA-N 457.600 2.457 30 10 JEEE C#CCN(CCOC)c1nnc(Cc2ccccc2F)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1359025475 PQQXULVPRMWNKI-IRLDBZIGSA-N 489.617 2.298 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCc2cccnc2)CC1 1359041968 NOWINFHUCGVMND-UHFFFAOYSA-N 459.510 2.457 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@H]2CCOC2)CC1 1359083055 AZADEXXIMQVOLO-JKSUJKDBSA-N 459.410 2.342 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1359089114 BRSKROLBFMSKNC-PLACYPQZSA-N 460.623 2.041 30 10 JEEE C=CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@]1(O)CCS(=O)(=O)C1)C1CC1 1359246490 CSOPWJDKPNUWHE-YCRPNKLZSA-N 450.536 2.262 30 10 JEEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCCN(C(=O)C(C)C)CC1 1359301789 LBTYBWLHMZJTKG-UHFFFAOYSA-N 460.529 2.144 30 10 JEEE C=CCS(=O)(=O)CCn1c(C)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](CC2CC2)C1 1359327888 NLPVDUAUMRDZNL-QZTJIDSGSA-N 453.609 2.317 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCCN(Cc2ccccc2)CC1 1359332609 BTPIIFAJNILGRD-NRFANRHFSA-N 459.616 2.095 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CCN1CCC[C@H]1C 1360237525 HQRZZLWUOXRWNH-GOSISDBHSA-N 468.581 2.238 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H](C(C)C)N1CCOCC1 1507531493 ASTRJYRYVUKHGZ-DENIHFKCSA-N 477.613 2.490 30 10 JEEE C#CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1507575550 GJTUPXHEPZKTEW-QFIPXVFZSA-N 466.586 2.119 30 10 JEEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1C[C@]1(O)CCSC1)[C@H]1CCS(=O)(=O)C1 1507639611 LHDUUHQUYWGSTQ-LAUBAEHRSA-N 497.042 2.005 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)N2CCCC2)n1CCCO[C@@H]1CCOC1 1507701068 XZJIEYKFZREZCS-OAQYLSRUSA-N 455.534 2.489 30 10 JEEE C#CCN(CCOC)c1nnc(Cc2c[nH]c3ccccc23)n1CC1CCS(=O)(=O)CC1 1507713324 GDJKQZAQPUOBOE-UHFFFAOYSA-N 455.584 2.261 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H](c2ccc(F)cc2)N(C)C)CC1 1507715770 IBXOGYRSEIYBJE-JOCHJYFZSA-N 469.609 2.394 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCCOCC(C)C)CC1 1507729329 GVGZTBNVLFYBAC-OAQYLSRUSA-N 490.649 2.404 30 10 JEEE C=C(Cl)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1507858328 BTLPYDGMKVGEJP-KRWDZBQOSA-N 466.007 2.260 30 10 JEEE C=C(Cl)Cn1c(-c2noc3c2COCC3)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1507863747 JSMCCDSHMLPXPD-UHFFFAOYSA-N 477.997 2.139 30 10 JEEE C=CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1507943010 YLRGYGNUPPPGOG-KRWDZBQOSA-N 466.546 2.460 30 10 JEEE C=CCCCn1c(COc2ccc(C)cc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1507956888 UPICEFZJOCEBKC-UHFFFAOYSA-N 466.586 2.403 30 10 JEEE C=CCCOCCn1c(N2CC(=O)N(C)[C@@H](C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1507966344 QFPSHOOZEIKLQS-OKZBNKHCSA-N 462.595 2.308 30 10 JEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H](C)c1ccc(OC)cc1 1507981886 LAVHXOAJXHXPOC-YLJYHZDGSA-N 463.604 2.436 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1508072644 DUYUGQMVGSHFJR-SUMWQHHRSA-N 491.365 2.206 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCC(NC(=O)c2cc(C)oc2C)CC1 1508081236 VXLVQBUOMZZYAG-UHFFFAOYSA-N 451.531 2.184 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(Cc2ccc(OCC)cc2)CC1 1508081365 XPTVJLYXCMHSRQ-UHFFFAOYSA-N 461.570 2.363 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(Cc2ccc(OC)c(F)c2)CC1 1508082538 UARYFUPEYNGJIV-UHFFFAOYSA-N 465.533 2.112 30 10 JEEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCOC[C@H]2CCOC2)[C@H](C)C1 1508235395 DZRPUMXWXXJEGO-WIYYLYMNSA-N 452.559 2.317 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1Cc1ccc2nsnc2c1 1510185922 FQVGUJVZQMTCSM-CYBMUJFWSA-N 460.589 2.071 30 10 JEEE CCN1CCCC[C@@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@H](C#N)C1 1515858646 ALFPARXOOPIEDH-WOJBJXKFSA-N 471.993 2.465 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)C(=O)[C@@](C)(Cc2ccc(OC)c(OC)c2)NC(C)=O)c1 1527475480 HCDGIKHZRURHCH-RUZDIDTESA-N 451.523 2.220 30 10 JEEE N#Cc1cc(F)ccc1NC(=O)CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21 1534032491 AGUVXNLSPFSMEF-UHFFFAOYSA-N 458.471 2.419 30 10 JEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1539072907 YQJGBMWSGKOFOM-IAGOWNOFSA-N 451.593 2.087 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1539413953 PJICRZFOJMMXNL-ZWKOTPCHSA-N 459.513 2.259 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccc3Cl)n2C[C@@H]2COCCO2)n1 1539423782 GDPSXXCTUKYBRO-LJQANCHMSA-N 470.961 2.497 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCCCS(C)(=O)=O)CC1 1539463212 XKEUEQRKLITQCS-WOJBJXKFSA-N 465.664 2.167 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC(C(=O)NC)CC1 1539491089 MGTWXZKBMDWIRM-UHFFFAOYSA-N 454.600 2.476 30 10 JEEE C#CC[C@]1(C(=O)N2CCC(N(CCOC)CCOC)CC2)CCCN1C(=O)OC(C)(C)C 1539529437 RUHLYHOUXXTOSD-XMMPIXPASA-N 451.608 2.365 30 10 JEEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC([C@@H]2CCCO2)CC1 1539573918 GAFYSEGBOZAPTC-HIFRSBDPSA-N 462.414 2.192 30 10 JEEE C=CCC(C)(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1539909724 PTUQLBJXMUMPCK-UHFFFAOYSA-N 499.645 2.383 30 10 JEEE C=CCN(CC=C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCCCS1(=O)=O 1540154321 URHMJDSWQLSWQH-LJQANCHMSA-N 464.613 2.494 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CCC[C@@H](C(=O)OC)C1 1540865435 GTNILBLQKUUNRT-GFCCVEGCSA-N 468.377 2.461 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 1540868561 JIBKXGSMCFYMTD-DENIHFKCSA-N 462.602 2.470 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1540872707 YGLVARPDIBPALE-UHFFFAOYSA-N 483.642 2.183 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCNC(=O)[C@@H]1CC 1540897796 SMQOYNWTGCNXCV-OALUTQOASA-N 475.615 2.351 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CC[C@@H](C(=O)N(C)c2ccccc2)C1 1540904279 LDQMGDJTZHQCFA-OAQYLSRUSA-N 494.621 2.354 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)ccc2C)nnc1N1CCN(C(=O)OCC)CC1 1540907006 JDJXGJZFEKANPZ-UHFFFAOYSA-N 491.614 2.353 30 10 JEEE CC(C)CN1CCC[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(CC#N)CC2)C1 1541551331 CDRYUIOPRDOBDB-ICSRJNTNSA-N 465.668 2.386 30 10 JEEE CNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)OC(C)(C)C)CC1 1554432975 AXGNPXZQMVTRRL-UHFFFAOYSA-N 453.547 2.304 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CCn1cc([C@H]2CCOC2)cn1 1587667141 CTDSWMBOWBBFQM-SJORKVTESA-N 453.572 2.128 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2C[C@H]2CCO[C@H]2C(=C)C)c1 1587697129 KGAGXKSNUXCALB-NLFFAJNJSA-N 476.581 2.438 30 10 JEEE C#CCN(c1nnc(C(C)C)n1CC1(N2CCOCC2)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1588030028 OENYHGIJTQABHF-HXUWFJFHSA-N 463.648 2.063 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccc3F)n2C[C@]2(O)CCO[C@@H]2C)n1 1588723351 LOERRXKLIJOACI-HOYKHHGWSA-N 468.533 2.107 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2CCCCCS(C)(=O)=O)CC1 1588913313 HCFRDNZAMQLHBA-UHFFFAOYSA-N 471.627 2.434 30 10 JEEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1589008955 YNIBAONMEIDKAN-UHFFFAOYSA-N 472.578 2.004 30 10 JEEE C=C(C)CN(CC)c1nnc(CN2CCCC2=O)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1589675767 HKLWHKXNFDTIPX-LJQANCHMSA-N 453.591 2.471 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1593747336 UVHSHJLVYBDPHZ-GOSISDBHSA-N 490.586 2.008 30 10 JEEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1594669487 YCEDOMCWHZATOI-SFTDATJTSA-N 471.650 2.107 30 10 JEEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(CCC(F)(F)F)CC1CC1 1595537630 UUWLOBZXQSMPAY-UHFFFAOYSA-N 454.453 2.477 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 1595608765 XKTWHPIKGHBTGI-HBFSDRIKSA-N 492.621 2.045 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1595772647 FWWOSSSJZUBFAE-WBVHZDCISA-N 465.963 2.134 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H](CN2CCCCC2)C1 1595823677 QBPFKWYNNBZZQO-NRFANRHFSA-N 475.663 2.053 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N(C)C1Cc2ccccc2C1 1595823946 UIPMXOSTERXKLG-UHFFFAOYSA-N 454.600 2.344 30 10 JEEE Cc1cccc(O[C@@H](C)c2nnc(N3CC[C@](F)(C#N)C3)n2CC2(O)CCS(=O)(=O)CC2)c1C 1611824842 HBFFJQSLOUFHJV-AVRDEDQJSA-N 491.589 2.417 30 10 JEEE C#CCN1CCN(C(=O)CSc2nnc(-c3cnccn3)n2-c2ccc(Cl)cc2)CC1 1613593804 RVHYHLDHMBPYIV-UHFFFAOYSA-N 453.959 2.247 30 10 JEEE COc1cc(C)ccc1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1619067619 FQXWGBQDMYCSLI-UHFFFAOYSA-N 491.600 2.022 30 10 JEEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(O)CCN(C(C)C)CC1 1690034375 FTTHKFWRGVCBMP-VWLOTQADSA-N 457.619 2.017 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(OC)ccc2Br)n1C[C@@H]1COCCO1 1690096107 MTYYVRHRMJQFHS-MRXNPFEDSA-N 465.348 2.218 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccsc1Br 1690103682 GIFNQHHYZTXALF-CQSZACIVSA-N 473.418 2.139 30 10 JEEE C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1CC1(NC(=O)OC(C)(C)C)COC1 1690104688 FPRABHGPMRTUCY-UHFFFAOYSA-N 476.603 2.014 30 10 JEEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1690234986 TVCABMGIACYQMX-YVSFHVDLSA-N 457.369 2.295 30 10 JEEE C=C(Cl)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)CCCS(C)(=O)=O 1690331513 XZKGLBORRMCHGI-UHFFFAOYSA-N 475.040 2.170 30 10 JEEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 1690497018 FIZJZFLBEKJDRE-UHFFFAOYSA-N 470.549 2.095 30 10 JEEE C=CCOc1ccc(Cn2c(-c3ccc[nH]3)nnc2N2CCN(C(=O)C(=O)NC(C)C)CC2)cc1 1690679347 RARFMNOHDFWROR-UHFFFAOYSA-N 477.569 2.060 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1690684669 KZSLHQYHBHIYNN-ZJOUEHCJSA-N 476.599 2.239 30 10 JEEE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3ccc(C#N)cc3)n2CCCNC(=O)C(C)C)C1 1690783149 JPVWFISDYPVHCA-HXUWFJFHSA-N 451.575 2.284 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)cc1OCCOCC 1705494913 IBACHPVIQMSBDA-ICSRJNTNSA-N 460.600 2.410 30 10 JEEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1705509242 FMLZNKABRBAGJU-QFIPXVFZSA-N 484.670 2.368 30 10 JEEE C#CCN(c1nnc(Cc2c[nH]c3ccccc23)n1CCOC(C)C)[C@H]1CCS(=O)(=O)C1 1705570608 RTNASNRNLLMZIJ-IBGZPJMESA-N 455.584 2.402 30 10 JEEE C#CCN(CC#CC)c1nnc(COc2ccc(Br)cc2)n1CCn1cncn1 1705601726 UAZNSLBOIRCZFZ-UHFFFAOYSA-N 454.332 2.374 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1nccc(C(F)F)n1 1705610978 LRVYVFBXMQMUGW-UHFFFAOYSA-N 450.453 2.427 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCOC[C@H]1CCCO1 1705611020 MXEAUDXTSPLXMH-GOSISDBHSA-N 450.543 2.237 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccc(C)n3)n2C[C@@H]2CCCCS2(=O)=O)n1 1705632259 YHMOVUDATOOAMA-NRFANRHFSA-N 497.625 2.099 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCCCC2)CC1 1705650991 FWIGXRDQFLTTKH-UHFFFAOYSA-N 476.581 2.390 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1705717669 PDWWTXDBGLPPCA-UYAOXDASSA-N 474.631 2.251 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1705896757 XDYJMDTXQCHJEC-AWEZNQCLSA-N 467.452 2.228 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 1705899524 WGLMLSOFNUVZJG-SFHVURJKSA-N 462.514 2.203 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 1705934272 HQNYUROUEOJYDW-NVXWUHKLSA-N 453.609 2.496 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 1705937327 QKIGGLGBSYFHAC-FQEVSTJZSA-N 487.548 2.394 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCOC2(CCOCC2)C1 1705938406 XJMTYFNGBGYYDQ-UHFFFAOYSA-N 490.626 2.461 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@H](c1ccco1)N1CCCC1 1706878872 HIFAIHOHJBQDMA-NJNPRVFISA-N 475.619 2.448 30 10 JEEE CC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCCS2(=O)=O)CCN1CCOC 1709328088 HRDWQMLTVYLOAT-FGZHOGPDSA-N 486.642 2.331 30 10 JEEE CCN(CCn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1)C(=O)OC(C)(C)C 1710162388 HWBGHZCSBRPORX-UHFFFAOYSA-N 483.573 2.312 30 10 JEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(Cc2cc(C)no2)CC1 1722325884 PMFCKERPZNGMKC-UHFFFAOYSA-N 468.583 2.381 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H](C)CN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1722360409 HBMQTLLWWAGKBL-CTNGQTDRSA-N 456.616 2.089 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(C)c(Br)c2)n1CCOCCS(C)(=O)=O 1722376112 VVYGJQPKDJZEMD-UHFFFAOYSA-N 479.400 2.150 30 10 JEEE C#CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1CCC[C@H](O)C1 1722423209 ZUYUMANYHZSHFF-OALUTQOASA-N 474.631 2.184 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCCOC3)n2CC2(C)CCOCC2)n1 1722429932 VDZNFXLLHKHITB-HXUWFJFHSA-N 456.591 2.472 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCC[C@@H]2C)CC1 1722449050 FJXZWZSAHPMRSG-AFMDSPMNSA-N 476.581 2.246 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(CCOC)C(=O)C1 1722491397 KUVYGCGKYYEKEK-NFBKMPQASA-N 496.612 2.423 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(OC)c(OCC)c2)CC1 1722565661 AXUJFAKJHXKEIX-NRFANRHFSA-N 491.614 2.223 30 10 JEEE C=CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1722686274 VTLIVMPKXMLGGY-GYCJOSAFSA-N 487.605 2.393 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCc2ccc(Cl)nc2C1 1722729554 OKZMOPDKMQLROU-UHFFFAOYSA-N 458.975 2.476 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F 1722737144 VDQHVKDQFSRBCK-CQSZACIVSA-N 462.498 2.119 30 10 JEEE CCc1nn(C)c(CC)c1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)CC1 1727478464 BGXKLQBZRWGINO-UHFFFAOYSA-N 467.599 2.204 30 10 JEEE CCOCc1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1C[C@H](C)N1CCN(CC)CC1 1729081656 GSTFEUCUNYYHHP-NZQKXSOJSA-N 467.618 2.290 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1CCc1ccc(OC)c(F)c1)[C@H]1CCS(=O)(=O)C1 1740621868 PKMMASWFVJINBS-SFHVURJKSA-N 469.542 2.357 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CCN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1740625488 OBZHOFHQONGKJZ-GOSISDBHSA-N 477.581 2.260 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1C[C@@H](C)N(CC)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1740627640 RPSVFTRGRARYHN-QYZOEREBSA-N 495.646 2.054 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@@H]1CCN(CCC)C1)[C@H]1CCS(=O)(=O)C1 1740628512 QUVBLNKCUSGGBD-CTNGQTDRSA-N 489.617 2.355 30 10 JEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1nccc(C(F)F)n1 1740633071 UHDIKCAMSUQRHM-UHFFFAOYSA-N 484.536 2.395 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC1(O)CCOCC1 1740639020 RKMMCFUDUVPOMV-HXUWFJFHSA-N 471.602 2.397 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCc2cnn(C)c2)CC1 1740708039 ZSFIEAVUZBLZHP-UHFFFAOYSA-N 486.580 2.061 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H](C)c2c(C)noc2C)CC1 1740709487 HHUPOPVLPMXAOP-BUKVSMQUSA-N 484.601 2.376 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(OC)c(OC)c1 1740717680 YMSNJTULYYEBDI-QGZVFWFLSA-N 464.613 2.200 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1740751505 KZXDUZWENDUXPH-VDGAXYAQSA-N 473.622 2.218 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1C[C@H](OC)[C@H](OC)C1 1740989948 CWXOBMCPAHMGEY-BGYRXZFFSA-N 473.555 2.051 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1740991689 BQWTXCKVJXCATB-RTBURBONSA-N 497.662 2.466 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CCCOC1)[C@H]1CCS(=O)(=O)C1 1748804141 DQXVURUMZDHFQR-RDJZCZTQSA-N 496.431 2.099 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCCCC=C)CC1 1749006554 RUVWYCLVWCIURI-UHFFFAOYSA-N 459.558 2.243 30 10 JEEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@@]2(CCOC2)C1 1749022808 HHSMBMAQTANCPC-SFHVURJKSA-N 452.378 2.398 30 10 JEEE C#CCSCCn1c(COc2ccc(Cl)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1749047403 VFYUDFXKHGTRLY-UHFFFAOYSA-N 484.047 2.395 30 10 JEEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1749114628 DPTWJIPVPLPMRM-IUVQAAGXSA-N 457.369 2.295 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(-n2ccnc2C)nc1 1749575024 KEUQSGWISLWYEQ-LJQANCHMSA-N 453.572 2.296 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(COc3cccc(C)c3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1749717899 QJHNEAVBIWTESE-PZJWPPBQSA-N 475.615 2.228 30 10 JEEE CC(C)(C)[S@](=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](CC(N)=O)C1 1750520224 HFWTWBCRXQPJIK-PIJWYQRNSA-N 472.615 2.368 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1CCc1ccncc1 1751218456 DSTBVPMZRORERC-SFHVURJKSA-N 495.609 2.445 30 10 JEEE C[C@](O)(C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(C)(=O)=O)CC1)C(F)(F)F 1751238947 DMZMEQZNWBMNNZ-IBGZPJMESA-N 471.505 2.391 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CCN1CCCS1(=O)=O 1760104739 FFSMFUJQYMJJDR-KRWDZBQOSA-N 461.588 2.234 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2C[C@@H](c2ccco2)N(C)C)c1 1760127626 GRXVSLKUYJJGAL-NRFANRHFSA-N 489.580 2.353 30 10 JEEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CCc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1760181291 RVSDAWBGSFGOMR-ZJSXRUAMSA-N 490.601 2.327 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H](C)Oc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1760190862 ZZQLEFZBENUUJD-UYAOXDASSA-N 481.578 2.443 30 10 JEEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCN1CCOC(C)(C)C1 1760234654 ZTVYRMMFNPQKGQ-UHFFFAOYSA-N 452.607 2.022 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC[C@H]2CCOC2)CC1 1760251776 HOTJAIUFBBTFAY-IBGZPJMESA-N 456.978 2.043 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2Cc2cc(OC)c(OCC)c(OC)c2)CC1 1760258964 FJJQUPYXOJDOGN-IBGZPJMESA-N 455.559 2.001 30 10 JEEE C#CCN1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2C[C@H](OC)C(C)(C)C)CC1 1760260292 OGSKPMMOWSDTRD-NRFANRHFSA-N 477.613 2.491 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCO[C@H]2CCCC[C@@H]2C)CC1 1760268636 NJNKQROFWJCWNF-RXVVDRJESA-N 453.591 2.240 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)CCS(C)(=O)=O 1760319323 MHALFHCNNLUHBC-PXNSSMCTSA-N 464.588 2.424 30 10 JEEE C=C(C)Cn1c(N2CCCN(CC(=O)N3CCCC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1760349741 YDHRUZYIFZVNAK-DEOSSOPVSA-N 460.623 2.029 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CC[C@@H](C(=O)N(C)c2ccccc2)C1 1760524962 OZVGZPITBRNSCX-LJQANCHMSA-N 459.554 2.055 30 10 JEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1760565764 DPPUQXXEAIJCFB-KRWDZBQOSA-N 492.627 2.334 30 10 JEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H]1COc2ccccc2O1 1760566677 ZUIFAELMWMNNAR-IAGOWNOFSA-N 464.613 2.376 30 10 JEEE CCOC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cc(C)nn2C)CC1 1765711712 CJRYHVIOTVNDIH-UHFFFAOYSA-N 464.530 2.098 30 10 JEEE CCOC(=O)[C@H]1CCCN(C(=O)NS(=O)(=O)c2ccc(CNC(=O)c3cccc(C#N)c3)cc2)C1 1858661412 GFMNNBDCPXAVST-FQEVSTJZSA-N 498.561 2.162 30 10 JEEE COc1ccc(CCN2C[C@@H](C(=O)Nc3c(C#N)nnn3Cc3cccc(F)c3)CC2=O)cc1OC 1870108862 BEZBQNKJIKBYBK-SFHVURJKSA-N 492.511 2.384 30 10 JEEE CN(C)CCCn1cc(OCC(=O)Nc2sc3c(c2C#N)CCC3)c(=O)cc1CSCCO 1870223729 IXZSVXPDQMJSJL-UHFFFAOYSA-N 490.651 2.465 30 10 JEEE C=CCn1cc(OCC(=O)NC[C@H]2CCCO2)c(=O)cc1CN1CCN(c2ccccc2F)CC1 1870541234 BVRDGQQDYLCONF-OAQYLSRUSA-N 484.572 2.170 30 10 JEEE C=CCn1c(C(=O)NCCN2CCOCC2)cc2c(N3CCN(c4ccc(F)cc4)CC3)ncnc21 1873594331 QMPDGDPYZFVUAB-UHFFFAOYSA-N 493.587 2.145 30 10 JEEE COCCN1CC(=O)C(c2nc3ccccc3s2)=C1NC(=O)CCN1C(=O)c2ccccc2C1=O 1873711403 RWSMKNVKBNQZOQ-UHFFFAOYSA-N 490.541 2.299 30 10 JEEE COc1cc(/C=N/n2c(SCCCO)nnc2[C@@H]2CC(=O)N(C(C)C)C2)cc(OC)c1O 1874340599 PHRKCNMMVAQRKT-XHADFYDMSA-N 463.560 2.082 30 10 JEEE N#Cc1cccnc1OC1CCN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 1892216055 OFKATGIFYKSHTJ-OAQYLSRUSA-N 499.549 2.475 30 10 JEEE C=C(Br)CS(=O)(=O)N=[S@@](C)(=O)N1CCCN(C(=O)OC(C)(C)C)CC1 2054336251 BYZDRFAHTCPQQO-XMMPIXPASA-N 460.416 2.180 30 10 JEEE C[C@@H]1CC[C@@H]([C@@H](NC(=O)OC(C)(C)C)C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)O1 2180991081 JHLKHODUJIJQFL-VNQPRFMTSA-N 462.356 2.175 30 10 JEEE CC(C)(C)OC(=O)NCC1(O)CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2Cl)C1 2267004732 AXTOWCVGSSMORO-UHFFFAOYSA-N 466.771 2.351 30 10 JEEE Cc1c(B2OC(C)(C)C(C)(C)O2)csc1C(=O)N[C@]1(CO)CCN(C(=O)OC(C)(C)C)C1 2267111358 QWDMILQMSKNQDD-JOCHJYFZSA-N 466.409 2.457 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)CCCO1 2267286617 PZHHJBIHOKGGOH-HNNXBMFYSA-N 450.341 2.335 30 10 JEEE CC(C)(C)OC(=O)NC[C@@]1(O)CCCN(C(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)C1 2267556150 UTIQRZLGCWWHSQ-QFIPXVFZSA-N 450.341 2.071 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@@H]1C[C@H]1NC(=O)OC(C)(C)C 2267707020 JSKDKPBGGXIQQO-DOTOQJQBSA-N 466.409 2.486 30 10 JEEE CC(C)(C)OC(=O)NC/C=C\CNS(=O)(=O)c1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2268405251 IVMFXKOGPNPWOA-HJWRWDBZSA-N 470.372 2.484 30 10 JEEE C[C@@H](NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)c1nscc1B1OC(C)(C)C(C)(C)O1 2268633297 RMUOFPMWWAPANG-HIFRSBDPSA-N 467.397 2.255 30 10 JEEE C[C@H](c1nscc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C 2268641593 BXIRTPSEJQHUMK-ZIAGYGMSSA-N 469.413 2.237 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](OCC(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C1 2268711265 RCMCEQQNBPXOTQ-CQSZACIVSA-N 467.397 2.085 30 10 JEEE Cn1ncc(C(=O)NC[C@@H]2C[C@H](NC(=O)OC(C)(C)C)C2(C)C)c1B1OC(C)(C)C(C)(C)O1 2281832696 QUMNNIFYOGGOIM-HOCLYGCPSA-N 462.400 2.389 30 10 JEEE C[C@@H](CNC(=O)c1occc1B1OC(C)(C)C(C)(C)O1)N1CCN(C(=O)OC(C)(C)C)CC1 2282038845 NUSQBBZFLDWCOS-INIZCTEOSA-N 463.384 2.250 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC2CC3(CCN(C(=O)OC(C)(C)C)C3)C2)n1 2282039795 AGARRHGHZXPJOE-UHFFFAOYSA-N 460.384 2.239 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC12CC2 2282055823 JTABVCZOCPXCPI-OAHLLOKOSA-N 460.384 2.157 30 10 JEEE CC(C)(C)OC(=O)NCCC1(O)CCN(C(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)CC1 2282625681 YPUCZGKMGISXDX-UHFFFAOYSA-N 481.424 2.324 30 10 JEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)N[C@H]1CCC=C1B1OC(C)(C)C(C)(C)O1 2283964050 NNNDMACOAMLUHS-WBVHZDCISA-N 484.424 2.247 30 10 JEEE CC(C)(C)OC(=O)N[C@]1(C(=O)N2Cc3cccc(B4OC(C)(C)C(C)(C)O4)c3C2)C[C@H](O)C1 2284050790 COLCJTIBADHCNW-ONEIWYMKSA-N 458.364 2.246 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1CC[C@@H](C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)CO1 2284069966 ZTGHSAGPRCSFQJ-HUUCEWRRSA-N 481.424 2.378 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)N2CCc3cccc(B4OC(C)(C)C(C)(C)O4)c32)C1 2284147875 OULUXCLXFQVZMV-DEOSSOPVSA-N 458.364 2.247 30 10 JEEE CCc1nn(C)c(C(=O)NC[C@H]2CC[C@H]2NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2287574993 TVHMDXNRHRGFGE-GDBMZVCRSA-N 462.400 2.315 30 10 JEEE C#CCN(C(=O)CCN(CCO)C(=O)OC(C)(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 2319832953 KTQVWOFSSYTIJX-UHFFFAOYSA-N 453.580 2.467 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@H]2NS(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2334267021 VBGIGKCEPKAKMC-WBAXXEDZSA-N 464.393 2.272 30 10 JEEE CN[C@@H](C#Cc1cnn(CCOC)c1)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2340526264 UIEJASISXDVQOJ-GOTSBHOMSA-N 455.603 2.494 30 10 JEEE Cc1scc(C(=O)N(C)CC2(O)CN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2343511028 LUYOYGONHCWEDP-UHFFFAOYSA-N 466.409 2.410 30 10 JEEE C[C@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)C[C@]1(C)CNC(=O)OC(C)(C)C 2362356455 HQNRQIBQCQMQFW-WNSKOXEYSA-N 462.400 2.342 30 10 JEEE CC(C)(C)OC(=O)N1CC2(CC[C@H](NC(=O)c3sncc3B3OC(C)(C)C(C)(C)O3)CO2)C1 2362415558 JRFNTFVCBVWHFU-AWEZNQCLSA-N 479.408 2.341 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1C[C@@H]2NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2366869259 AXMVOABSZQKGDG-KKUMJFAQSA-N 499.464 2.260 30 10 JEEE COc1ccc(Br)cc1/C=N/Nc1nnc(SCC(=O)Nc2ccccn2)n1N 21320507 ZHYHAXPGOLXMIN-ZVBGSRNCSA-N 477.348 2.335 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(C(=O)c4cc(OC)cc(OC)c4)CC3)cc2C1=O 25907190 VVYIJKMKXGNPRD-UHFFFAOYSA-N 463.490 2.084 30 10 JEEE Cc1nn(CCO)c(C)c1/C=N/Nc1nc(SCC(=O)Nc2nc3ccccc3s2)n[nH]1 59887820 IZUSCIIACWXPEM-AWQFTUOYSA-N 471.572 2.397 30 10 JEEE Cc1nn(-c2ccccc2)c(N2CCOCC2)c1/C=N/Nc1nnc(S[C@H](C)C(=O)N(C)C)[nH]1 253566189 IQKRYVHETUCDLJ-BRABVMKYSA-N 483.602 2.150 30 10 JEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)N[C@H](c2ccccc2)[C@@H]2CCCO2)CC1 608843444 RFRROJVWSDPTNM-RBBKRZOGSA-N 454.552 2.494 30 10 JEEE CS(=O)(=O)CC[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCc1ccc(C#N)cc1F 609230839 BBEBMNJPMNGZDY-SFHVURJKSA-N 451.907 2.200 30 10 JEEE C[C@@H](C=O)N(C)C(=O)c1cc(I)cc(I)c1O 714570066 STLGUFAEOQBBOY-LURJTMIESA-N 459.021 2.261 30 10 JEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1cccc(Cl)c1C 729668917 VHIDXHTUWOSZAV-UHFFFAOYSA-N 475.961 2.314 30 10 JEEE C[C@@H](NC(=O)C1CCCC1)C(=O)[C@H](C#N)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 916948312 FOAYBKALKPHIIU-UZLBHIALSA-N 474.583 2.203 30 10 JEEE Nn1c(NN=Cc2cccc(O)c2)nnc1SCCC(=O)Nc1cccc(N2CCCC2=O)c1 1083899970 FMHFBNPOAXLCPI-UHFFFAOYSA-N 480.554 2.391 30 10 JEEE COc1ccc(OC)c(C=NNc2nc(SCC(=O)NCc3ccc4c(c3)OCO4)n[nH]2)c1 1084466658 IXLPSNFMDWZJLI-UHFFFAOYSA-N 470.511 2.405 30 10 JEEE C#CCN(CC(=O)N1C[C@@H](C)O[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1)C(=O)OC(C)(C)C 1176852758 LMNZJWWFTNQRED-HXOBKFHXSA-N 451.564 2.484 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1Cc1cc(OC)c(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1286383622 DMEZAJBNEUKVJT-SJLPKXTDSA-N 476.599 2.492 30 10 JEEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCO[C@@H]1CCOC1 1286431774 RIVQNTHRTYWLOW-JOCHJYFZSA-N 463.586 2.111 30 10 JEEE C#CCN1CCN(c2nnc(-c3noc4c3COCC4)n2CCCN(C(C)C)C(C)C)CC1 1286479904 PVSGIPPTDXHALK-UHFFFAOYSA-N 455.607 2.270 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1286486781 BCSLSAQLCMMWGO-QGZVFWFLSA-N 490.029 2.389 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2CC2CC(F)(F)C2)CC1 1286487202 SPDCVIGDUCXFSE-UHFFFAOYSA-N 450.534 2.208 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2C[C@@](C)(O)C(C)C)CC1 1286492405 KFAKDBGANOTLLI-XMMPIXPASA-N 457.550 2.369 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(CNC(C)=O)CC1 1286563306 JBIFPMNGWXIWKA-GMAHTHKFSA-N 455.607 2.473 30 10 JEEE C=CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1286690801 WDIZRRFBMNRJCC-SWUCNREESA-N 474.650 2.347 30 10 JEEE C=CCn1c(N2CCN(C(=O)Cc3cccc(OC)c3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1286777596 HTQFCNLXWNBMEM-VWLOTQADSA-N 469.586 2.405 30 10 JEEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1286789312 CSBXVVRDZGSBQB-UHFFFAOYSA-N 478.519 2.260 30 10 JEEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1286790768 WOBJDABHMXNONY-LJQANCHMSA-N 484.601 2.478 30 10 JEEE CC(=O)N1CCN([C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3C[C@@](C)(O)C(C)C)C[C@@H]2C)CC1 1286886065 ANHTZXVAXUSODK-RQADYFSKSA-N 479.629 2.213 30 10 JEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1300364692 LUHAHFCTYBHFHP-ROUUACIJSA-N 465.620 2.429 30 10 JEEE C#CCN(CC#CC)c1nnc(COc2ccccc2OC)n1CCN1CCOCC1(C)C 1300595132 HNJJHOJAOWYNSM-UHFFFAOYSA-N 451.571 2.439 30 10 JEEE C#CCSCCn1c(CCOc2ccccc2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1300767948 IDUZSWGXQBPXCA-IFMALSPDSA-N 455.628 2.423 30 10 JEEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc([S@](C)=O)cc1 1300830555 GYTURXGFLXLUOR-QWVSSGJLSA-N 490.449 2.171 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(c2ccc(C(C)=O)cc2F)CC1 1301587392 ZCVMWLBTVLMBMU-UHFFFAOYSA-N 461.563 2.425 30 10 JEEE COCCN(CCC#N)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1CCCCO1 1301808219 BHVDBDGJFMLMJG-HXUWFJFHSA-N 454.579 2.388 30 10 JEEE C[C@@]1(C#N)CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1303939541 HPBYDAPKKTUNHT-CVDCTZTESA-N 483.598 2.140 30 10 JEEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2COCCO2)CCN1CC(F)(F)F 1305204807 BPCNPHJOKCMJHC-VQIMIIECSA-N 480.491 2.217 30 10 JEEE CCN(C(=O)OC(C)(C)C)[C@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H](C)C#N 1313544822 HIIMUTRIHFCCEN-ZACQAIPSSA-N 468.624 2.422 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(C)o2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1359020922 UXNUXCLVODZCBJ-SFHVURJKSA-N 450.547 2.433 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@]2(O)CCSC2)CC1 1359034776 CGVUAYGOSLEGHL-CYFREDJKSA-N 490.674 2.016 30 10 JEEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccc(F)c2F)CC1 1359126851 BBKZLCFELBZXCM-INIZCTEOSA-N 484.573 2.086 30 10 JEEE C=CC[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](C)(C(N)=O)C1)c1ccccc1 1359195606 PBPDUQTWPQMPIM-SELNLUPBSA-N 457.600 2.242 30 10 JEEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1359226726 LICLOLLXQAOGQZ-HXUWFJFHSA-N 475.615 2.194 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3F)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1359317507 KGCOLFXQYQWZTF-HZSHHLKBSA-N 452.490 2.392 30 10 JEEE C=CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(C)C(=O)[C@H]1C 1359340948 GLQNRXAOTIKGIR-MRXNPFEDSA-N 467.599 2.261 30 10 JEEE CC(C)(C)c1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCS(=O)(=O)C2)cc1 1359497815 FDYCDHIBKFRCIA-YLJYHZDGSA-N 473.599 2.318 30 10 JEEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccc(OCC(=O)OC)c3ncccc23)n1 1476276673 PCXLLMQIKJZGGB-UHFFFAOYSA-N 451.483 2.297 30 10 JEEE CCN(CC)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCOC[C@@H]2C)CC1 1501780199 GJTLYMMCPRFSGK-REWPJTCUSA-N 479.629 2.480 30 10 JEEE CCN1CCN(CCCn2c(COc3cc(C)cc(C)c3)nnc2N2CCO[C@@H](C#N)C2)CC1 1502359761 DRQTVBIPQBUBPN-QHCPKHFHSA-N 467.618 2.230 30 10 JEEE CCNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCCCC2)CC1 1502460707 CUCVLRFIGIDNNG-UHFFFAOYSA-N 467.574 2.275 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)cc1SC 1507536737 DSXJPASGGWOWLR-SJLPKXTDSA-N 463.629 2.148 30 10 JEEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1507589321 VUZKSNGQZFGKLG-SBUREZEXSA-N 474.562 2.031 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1C[C@@H](c1cccs1)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1507635534 WWWAXVVQPCLXOE-UXHICEINSA-N 491.683 2.238 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCc1ccc(F)c(F)c1F)[C@@H]1CCS(=O)(=O)C1 1507637508 KQRGHYXXRAMWTR-NVXWUHKLSA-N 468.501 2.416 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCc1n[nH]c(C)n1 1507650407 JPLMIEHWBDECJN-GOSISDBHSA-N 452.563 2.135 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1cccnc1OC 1507661027 KHHIEIBSLQLWGF-UHFFFAOYSA-N 477.594 2.461 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC[C@H]1CCOC1 1507672351 XWIQUVLMUGMXLP-VQTJNVASSA-N 457.575 2.476 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1CC1(OCCOC)CCOCC1 1507761292 JJQKTPATVWEUOE-HSZRJFAPSA-N 468.558 2.130 30 10 JEEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CCCC2)CC1 1507935870 VMYWMONNVYSDDK-HXUWFJFHSA-N 466.652 2.032 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H]2CCCOC2)nnc1N(C)CC(=O)N1CCOCC1 1508106487 YGJGIPILJQJESO-HXUWFJFHSA-N 455.559 2.080 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CCC(CC(=O)NC)CC1 1508133890 NSPBQVYFSVQXEP-UHFFFAOYSA-N 459.616 2.461 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1CC1(C(N)=O)CCOCC1 1508642144 FJYUBBSWOURHLY-HJPURHCSSA-N 491.568 2.074 30 10 JEEE CN(c1nnc(-c2cccc(C#N)c2)n1CCC(=O)NC1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1517036386 GXYVZXKPQIYWRV-HXUWFJFHSA-N 470.599 2.279 30 10 JEEE COCC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCOC[C@@H]2C)CC1 1518894423 ACNDMXRUDUQWFD-IBGZPJMESA-N 454.575 2.312 30 10 JEEE C#C[C@H](NC(=O)c1cnc2c(c1CC)c(=O)n(C)c(=O)n2C)c1ccc(Br)cc1 1528498575 XZHUPCJUWJMFQP-INIZCTEOSA-N 455.312 2.061 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CC2C[C@@H](C)O[C@H](C)C2)c1 1539042157 CMQIXSDJMPMRRT-LZJOCLMNSA-N 464.570 2.489 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC(C)(C)OCC)[C@H]1CCS(=O)(=O)C1 1539205716 JOLAALFIEDRYRT-SFHVURJKSA-N 461.544 2.295 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1Cc1ncccc1C)[C@H]1CCS(=O)(=O)C1 1539210250 AJCCURBVUXULEZ-KRWDZBQOSA-N 456.959 2.372 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H](C)Oc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1539224191 CYOCSBLYFWDXMB-WIYYLYMNSA-N 483.569 2.497 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1ccccc1Cl)N(C)C 1539370438 VZUXBRBMSRXBNS-WOJBJXKFSA-N 495.049 2.027 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1ccnc(C(F)(F)F)c1 1539406141 UXNDUWMZSCKHTB-UHFFFAOYSA-N 483.458 2.469 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2Cc2cnccc2OC)CC1 1539427319 AMPCNEIXIWVIIU-UHFFFAOYSA-N 459.554 2.354 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCc2cc3ccccc3[nH]2)CC1 1539467002 LJLFYMKLRBBTQM-UHFFFAOYSA-N 461.570 2.106 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CCCN2CCCO[C@@H](C)C2)CC1 1539484099 CEWGWEQZXAXLKR-IBGZPJMESA-N 499.685 2.101 30 10 JEEE C#CCSCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1539497123 KKCNZMPOBIPRCI-OXJNMPFZSA-N 461.563 2.265 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2ccccc2C)C1 1539706830 VBRWDSHJDVWJOQ-WOJBJXKFSA-N 461.588 2.073 30 10 JEEE C=CC1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCS(C)(=O)=O)CC1 1539890383 NPBVXWFTVXUBQO-QGZVFWFLSA-N 469.608 2.034 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)Oc2ccccc2)CC1 1539890758 SOTAVUDVCZJANF-GHTZIAJQSA-N 475.615 2.481 30 10 JEEE C=CC1CCN(c2nnc(COc3ccccc3CC)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1539896595 PMDXWXWKLAPJSS-HSZRJFAPSA-N 460.600 2.372 30 10 JEEE C=CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CC(=O)N1CCOCC1 1539968096 WOFAXSDPNATJJT-LJQANCHMSA-N 492.621 2.238 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(C)CCCO1 1540186829 HNUZEXOWTFMZFU-DENIHFKCSA-N 479.603 2.008 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1540902126 BCLCMPALUNRPFL-SFHVURJKSA-N 490.586 2.008 30 10 JEEE C=CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(CNC(C)=O)CC1 1540913157 JLJPLYYUENDYLS-UHFFFAOYSA-N 481.626 2.464 30 10 JEEE CN(C(=O)CN1CCN(C(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)CC1)C1CCCCC1 1542870923 GHSAWBUOQSRLIQ-FQEVSTJZSA-N 455.578 2.459 30 10 JEEE CS(=O)(=O)C1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCO[C@H](C(F)(F)F)C2)CC1 1555792102 DSEAHQRERQUJOY-INIZCTEOSA-N 485.488 2.073 30 10 JEEE C=C(C)CCNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2OC)CC1 1556693734 BAUGEHCAIMACBS-UHFFFAOYSA-N 457.980 2.044 30 10 JEEE C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)NCCN2CCN(Cc3ccccc3)CC2)cc1 1562623251 BTFJFVYNTHZPQN-IBGZPJMESA-N 455.584 2.312 30 10 JEEE C#CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1587769063 AWPICYYVAZDLQH-HOYKHHGWSA-N 488.589 2.421 30 10 JEEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1587847815 STSCZETUYSFJGV-UHFFFAOYSA-N 476.585 2.236 30 10 JEEE C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@@H]1CCc2ccccc21)[C@@H]1CCS(=O)(=O)C1 1588035276 QLAZSCKFZXCIMK-SESVDKBCSA-N 472.611 2.359 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1ccc(N(C)C)c(F)c1)[C@H]1CCS(=O)(=O)C1 1588054116 KSOTVFOZEHFJHG-MOPGFXCFSA-N 475.590 2.052 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H](C)N2CCC[C@@H](C)C2)CC1 1588751064 IFOOWIKSEAMYSW-RQTOMXEWSA-N 458.651 2.194 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2CC[C@@H](N2CCOCC2)C(F)(F)F)CC1 1588800928 RNVVMGXXZAAYKU-OAQYLSRUSA-N 492.546 2.362 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC2CC(F)(F)C2)CC1 1588891539 QPNZWUHOTYELNC-QFIPXVFZSA-N 465.545 2.330 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2Cc2cccn(CC)c2=O)CC1 1588947315 NQXZFDILBTVWLW-UHFFFAOYSA-N 472.593 2.373 30 10 JEEE C=C(Br)Cn1c(-c2cnccn2)nnc1N(CCO)CCOCC(F)(F)F 1589381929 ICLMCIAUCVHPDK-UHFFFAOYSA-N 451.247 2.021 30 10 JEEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1595314262 KWGZHUWVPXJLSX-WMZOPIPTSA-N 474.993 2.415 30 10 JEEE C=CCNC(=O)Cn1c(N2CCO[C@@H](CCC)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1595602033 DFQFNIQBVLTQNH-KSZLIROESA-N 462.595 2.356 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCCN(C(=O)c2ccsc2)CC1 1595784926 NUHOYIITIPKUIE-UHFFFAOYSA-N 486.623 2.355 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)c1cc(F)ccc1F 1595796742 BXCBDZWLPMVLOB-LSDHHAIUSA-N 488.582 2.257 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H](CN2CCCCC2)C1 1595823678 QBPFKWYNNBZZQO-OAQYLSRUSA-N 475.663 2.053 30 10 JEEE C#CCNC(=O)CN1CCCN(C(=O)c2cn(C3CC3)c3cc(Cl)c(F)cc3c2=O)CC1 1632623383 CEZOGZDKRXWCGL-UHFFFAOYSA-N 458.921 2.026 30 10 JEEE CC#CCS(=O)(=O)c1cccc(C(=O)NC2(CNC(=O)OC(C)(C)C)CCOCC2)c1 1635048399 YMQGGAGNWAEILL-UHFFFAOYSA-N 450.557 2.287 30 10 JEEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCO[C@@H]3CCN(Cc4ccccc4)C[C@@H]32)cc1 1640753271 HORFDKSYZOUGSC-XZOQPEGZSA-N 455.580 2.266 30 10 JEEE C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 1641850874 CAUZBRUHTWNKHA-IBGZPJMESA-N 456.616 2.100 30 10 JEEE C[C@@H](NCC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)c1ccc(N2CCNC2=O)cc1 1659120982 IAZQKPFNMJKRPR-YLJYHZDGSA-N 452.584 2.337 30 10 JEEE C#Cc1ccc(CNC(=O)N2CC[C@@H](N3C(=O)O[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]43)C2)cc1 1686526350 XQMXNGAMSWFSPG-AQNXPRMDSA-N 454.527 2.392 30 10 JEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1C[C@H](C)COC)[C@H]1CCS(=O)(=O)C1 1689992825 PGPRXTSJOMXZPF-LPHOPBHVSA-N 450.992 2.432 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnn(C)c2)n1C[C@H]1CCCN1CCCO 1690089626 ILXWDPQVCXDYTD-JOCHJYFZSA-N 451.550 2.304 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cn2cc(Cl)cc(Cl)c2n1 1690102008 ACNOCZNVUPBXPW-MRXNPFEDSA-N 462.341 2.318 30 10 JEEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(=O)Nc1ccc(F)cc1 1690103868 IBKUOSFZNJCAIC-UHFFFAOYSA-N 492.559 2.316 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCCCSC)CC1 1690123983 BSCLRYJWVGCVCT-IBGZPJMESA-N 478.663 2.485 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2CCn2cnc3ccccc32)CC1 1690136840 KGUXCKXNSMCWJT-UHFFFAOYSA-N 490.612 2.212 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1690237974 CXGGIFBRMAGZPU-BPDSMXLESA-N 450.580 2.368 30 10 JEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@](C)(O)c2cc(C)oc2C)CC1 1690397046 UICFGDADRUQMOI-QVKFZJNVSA-N 451.593 2.408 30 10 JEEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 1690462428 GQNBUIDUSFROHX-NJYVYQBISA-N 471.650 2.402 30 10 JEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](OC)c1ccc(Cl)cc1 1690528193 XUILTBXQTAXQNO-ZWKOTPCHSA-N 469.995 2.274 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CCC(N2CCNC2=O)CC1 1690662293 XUMBKKDWCWQAQG-UHFFFAOYSA-N 488.390 2.004 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1690663896 HSZLSLMOQRYJJK-LPHOPBHVSA-N 474.993 2.066 30 10 JEEE C=CCNC(=O)Cn1c(N2CC[C@H](C(=O)N(C)c3ccccc3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1690676953 JGTITMZXZDFLRM-RXFWQSSRSA-N 496.612 2.110 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2c(Cl)c(C(F)(F)F)nn2C)C1 1690697491 WSYWCUNWIVRLHW-NWDGAFQWSA-N 473.887 2.465 30 10 JEEE CC(C)c1noc([C@@H](C)N2CCN(c3nnc(-c4cccc(C#N)c4)n3CC(=O)N(C)C)CC2)n1 1691915064 AOZNDBXCVZBOBJ-QGZVFWFLSA-N 477.573 2.295 30 10 JEEE Cc1nnsc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1692935552 AEYVXEVZQZKRGW-CQSZACIVSA-N 472.600 2.137 30 10 JEEE CCCN(CC)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1695314375 GCHFBMMWBFYCSD-SFTDATJTSA-N 451.575 2.411 30 10 JEEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCCN2CCCC2)c1 1696621162 FVHGTDNJDBWEMD-QFIPXVFZSA-N 475.594 2.123 30 10 JEEE C#CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@@H](C(=O)OC)C1 1705525823 VZEQPOXZJUZRKC-QGZVFWFLSA-N 458.588 2.349 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H](C)N(C)C1CC1)[C@@H]1CCS(=O)(=O)C1 1705562774 KCOGNLPVXVYMNW-IEBWSBKVSA-N 487.626 2.072 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1CCOc1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 1705563834 GMHRGBOVHSWWLK-HXUWFJFHSA-N 451.552 2.354 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1cccc(COC)c1)[C@@H]1CCS(=O)(=O)C1 1705564170 MELDNTNXONTFNN-OAQYLSRUSA-N 451.552 2.162 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCOc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1705567266 VEKSAAKYKBUCMI-UXHICEINSA-N 488.610 2.277 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1=CCCOC1 1705597857 SOKHVZKBHXVIJX-FQEVSTJZSA-N 455.559 2.396 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)Cc1ccc(C(=O)NC)cc1 1705693553 HXTHHSJUCYPBGR-PMACEKPBSA-N 454.575 2.394 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](OC)c1ccccc1 1705717664 PCMLPEWRTVXDRJ-VQTJNVASSA-N 463.604 2.401 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(C(N)=O)CCCC1 1705860773 WDSOIBSSTUHMAY-FQEVSTJZSA-N 482.610 2.290 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@]1(O)CCS(=O)(=O)C1 1705864375 ZNRHWAODVCOPBW-YADHBBJMSA-N 496.655 2.122 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(c2cnn(C)c2)CC1 1705898649 SHXMCDWCCNDUHZ-UHFFFAOYSA-N 465.558 2.382 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1705930042 DIUKXQSHGPTRMG-QKLQHJQFSA-N 491.589 2.120 30 10 JEEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCS[C@@H](CC)C1 1705938273 TTXSZIHHSFCANW-HNNXBMFYSA-N 469.658 2.202 30 10 JEEE CC(C)N(C)C(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1706544457 BDORWTJHYHXRAI-IBGZPJMESA-N 484.626 2.335 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc(CN2CCCC2=O)n1C[C@H](c1cccs1)N1CCOCC1 1706749738 BYCQFWVYQXDGJJ-ZWKOTPCHSA-N 457.604 2.274 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H](C1CCCCC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1722367160 UYJNIAITSQVHKA-GOTSBHOMSA-N 484.670 2.401 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccn2C)n1CC1(O)CCS(=O)(=O)CC1 1722418139 GUKFMBBYISSKOM-UHFFFAOYSA-N 471.558 2.002 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@@H](C)NC(=O)OC(C)(C)C)CC1 1722444789 FWZALQKXJQLIJA-QGZVFWFLSA-N 467.574 2.219 30 10 JEEE C#CCSCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1722459750 QEJYOAVXIOVKCV-GOSISDBHSA-N 497.687 2.382 30 10 JEEE C#CCSCCn1c(N2CCO[C@]3(CCO[C@@H]3C)C2)nnc1[C@]1(OC(C)C)CCOC1 1722464427 GCQITSMMFXCQRG-QIJUGHKUSA-N 450.605 2.069 30 10 JEEE C=CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCN1CCC[C@H]1C(=O)N(C)C 1722638513 DCHAUAREUGKZDJ-IBGZPJMESA-N 464.574 2.159 30 10 JEEE C=CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1722638514 DCHAUAREUGKZDJ-LJQANCHMSA-N 464.574 2.159 30 10 JEEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1722686199 TWYWQWYITGKJDS-JKSUJKDBSA-N 450.540 2.049 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N(C)[C@H]1CCCc2c1cnn2C 1722729765 WTULFDIBRIATJQ-IBGZPJMESA-N 455.588 2.112 30 10 JEEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1740566802 YIDPLDUIEBETCY-KRWDZBQOSA-N 459.572 2.429 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1C[C@@H](OC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1740619707 QVMJUVRTHKFPAS-SJLPKXTDSA-N 498.447 2.344 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCN(C)[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1740621810 ZJCCDROTRKZIJH-AEFFLSMTSA-N 465.023 2.351 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H](C)N(C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1740622120 USUDWISUEARUJP-REWPJTCUSA-N 478.622 2.487 30 10 JEEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1Cc1cc(F)ccc1N1CCOCC1 1740631474 JSQUDHCUFTXSBZ-VWLOTQADSA-N 467.545 2.027 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1ncn(C)n1 1740657051 VTRCXXSGSWQPHC-GOSISDBHSA-N 452.563 2.032 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@H]2OCC[C@H]2C)CC1 1740703146 HOWUNOISYOGFBJ-VGOFRKELSA-N 497.596 2.362 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCCc3ccccc3)n2CCN2CCOC[C@@H]2C)CC1 1740708181 FSWOKGVFCWLJKZ-QFIPXVFZSA-N 478.641 2.140 30 10 JEEE C=CC[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(S(C)(=O)=O)CC1)c1ccccc1 1740854671 QZIVIQJAHSUKNU-FQEVSTJZSA-N 495.609 2.367 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(CCCO)CC1 1740990652 CILMCRHDSNGYAV-UHFFFAOYSA-N 486.598 2.184 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1740992565 JFFMGFMKUZYKAT-DEOSSOPVSA-N 484.626 2.264 30 10 JEEE CCN1C[C@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(OC)CCOC2)C[C@@H]1C 1746382804 AMDCRJIZEBKSSE-JXQFQVJHSA-N 454.575 2.453 30 10 JEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCN1CCc2sccc2C1 1748776627 LDHTWVLEVCKHMN-UHFFFAOYSA-N 484.651 2.385 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1ccccc1OCCOC)[C@H]1CCS(=O)(=O)C1 1748814941 LXTNCUMVUCVPQN-NRFANRHFSA-N 495.605 2.349 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CCOc1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 1748818901 HNABTVAJBWDSQP-NRFANRHFSA-N 465.579 2.278 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CCO[C@@H]1CCCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1748819785 UFMSTWUPFLNQCC-CEMLEFRQSA-N 471.627 2.486 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2csc(CC)n2)CC1 1749003153 AAPQNLJBKJMAMQ-DEOSSOPVSA-N 486.642 2.352 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2C[C@H]2CCCn3cc(C)nc32)CC1 1749005233 SVRYVQUKOHYXKZ-PZJWPPBQSA-N 483.617 2.050 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1749037267 CQDSSOMFEBAJLL-IBGZPJMESA-N 485.635 2.466 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1749130970 OXOGPOMPWSCZQN-TVFCKZIOSA-N 491.580 2.234 30 10 JEEE C=C(Cl)Cn1c(COc2ccccc2OCC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1749281830 MBZKLEGVKQLUPO-MRXNPFEDSA-N 474.949 2.481 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCSC1 1749590609 BOEWFRIWDGZUAJ-PKOBYXMFSA-N 481.644 2.192 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1749655039 BCCQFSGKDAHZLS-IRXDYDNUSA-N 491.365 2.396 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@H](C)CC[C@@H]1C 1749726786 DPXVFJXKIGWRMM-SJORKVTESA-N 456.576 2.146 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN([C@H](C)c2nccs2)CC1 1749729402 IGISDGLGCUYQDK-QGZVFWFLSA-N 473.628 2.281 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCO[C@H](c2ccc(F)c(F)c2)C1 1749730717 NXTXOMHLULEVAC-IBGZPJMESA-N 476.509 2.192 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2c[nH]c3ccccc23)nnc1N1CCN(C(=O)C(C)C)CC1 1749730892 URRPJYZJRQSIOC-UHFFFAOYSA-N 470.599 2.332 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1749736880 RHDXEANTWJLUTR-IBGZPJMESA-N 487.655 2.426 30 10 JEEE N#C[C@@]1(F)CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCC2(O)CCOCC2)C1 1750379241 DBLLKFHQFGCNGO-KRWDZBQOSA-N 453.316 2.409 30 10 JEEE CC(C)(C)[S@](=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](CC(N)=O)C1 1750520225 HFWTWBCRXQPJIK-RTHCMUBDSA-N 472.615 2.368 30 10 JEEE CC(C)NC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](N2CCCC2)C1 1750994995 FVQWVMDJTKRGDS-FQEVSTJZSA-N 451.575 2.318 30 10 JEEE Cc1nc(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C(=O)OC(C)(C)C)CC2)n[nH]1 1751791549 CPGLXNDUCOLMCN-UHFFFAOYSA-N 493.572 2.455 30 10 JEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(Nc2cc(OCC)ncn2)CC1 1760137494 KRFKIHWGGBBQLY-GOSISDBHSA-N 487.630 2.253 30 10 JEEE C#CCN(c1nnc(C(C)C)n1C[C@](O)(c1ccccc1)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1760182289 HVTXSLGXYOFLNE-PXNSSMCTSA-N 470.517 2.478 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1CCCN1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1760190330 VXFRAGXXVLBUIG-NRFANRHFSA-N 456.616 2.089 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(=O)NCCC 1760218555 JETVYUZAVBVXCR-IBGZPJMESA-N 456.591 2.382 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCCCN1CC 1760244998 OEQBKLZOBRSKDM-FQEVSTJZSA-N 459.616 2.309 30 10 JEEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCSC2(CCCCC2)C1 1760280376 FJHQWKNLGWUCOC-GOSISDBHSA-N 499.728 2.234 30 10 JEEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)c1ccccc1 1760281555 OIXDLZIXVMXBLM-PKOBYXMFSA-N 463.629 2.175 30 10 JEEE C#CCSCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1760282900 VANIWLJFFZESKJ-UHFFFAOYSA-N 473.046 2.289 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCCOc1cccc(OC)c1 1760288900 LAKCXDBMPHQNPN-HTAPYJJXSA-N 461.588 2.358 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1-c1cnn(C)c1 1760336594 CZGZDMFKYDPLJV-JOCHJYFZSA-N 499.641 2.462 30 10 JEEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(NC(C)=O)CC1 1760373783 BUOUGJWEVYCMER-KRWDZBQOSA-N 468.986 2.444 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1760411815 DCGINGUQNVTFEZ-HNNXBMFYSA-N 456.572 2.317 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C[C@@H]1CCOC1)C1CC1 1760412389 KLMRMKHDFGRWBR-HKUYNNGSSA-N 467.636 2.219 30 10 JEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 1760510168 IRKBKLZNNOFQIE-ZWKOTPCHSA-N 485.969 2.167 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1760554546 GXBMUDAYILKHLR-RTBURBONSA-N 478.018 2.371 30 10 JEEE COc1ccc2cc(C#N)c(SCC(=O)NCCc3ccc(S(N)(=O)=O)cc3)nc2c1 1858204640 FRYJHOBZJIWWQZ-UHFFFAOYSA-N 456.549 2.213 30 10 JEEE COc1ccc(N2C[C@@H](c3nnc(SCC(N)=O)n3/N=C/c3cccs3)CC2=O)cc1 1874199059 DIPWXERPKFPWKM-LKYUAURQSA-N 456.553 2.328 30 10 JEEE COC(=O)c1ccc(/C=N/n2c(CCc3cccc(OC)c3)nnc2SCC(N)=O)cc1 1874309326 QFIYDXSFBHDKAI-ZMOGYAJESA-N 453.524 2.318 30 10 JEEE CN1CCN(CC#CCOC2CCN(C(=O)c3nn(-c4ccccc4)c(=O)c4ccccc34)CC2)CC1 1890842421 RQSWIDNCPDEJIT-UHFFFAOYSA-N 499.615 2.258 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]1NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2247954118 YIADIKVBUJRPEL-STQMWFEESA-N 458.411 2.239 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CNC(=O)c2csc(B3OC(C)(C)C(C)(C)O3)c2)C1 2255847075 NIMPZPCMJGTHSD-CABCVRRESA-N 452.382 2.005 30 10 JEEE CC(C)(C)OC(=O)NCC1(F)CCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CC1 2267097994 UVYKCYYZPZXXRV-UHFFFAOYSA-N 452.336 2.178 30 10 JEEE Cc1cc(C(=O)N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)oc1B1OC(C)(C)C(C)(C)O1 2267522103 SCZNPONMPVLMIH-OAHLLOKOSA-N 450.341 2.253 30 10 JEEE C=C(CS(=O)(=O)N(CCO)C[C@@H]1CCCN1C(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2267725367 XZCOYAYULNLUIP-KRWDZBQOSA-N 474.429 2.198 30 10 JEEE Cc1cc(CNC(=O)C2(NC(=O)OC(C)(C)C)CC(O)C2)sc1B1OC(C)(C)C(C)(C)O1 2268714547 AUZXPCDWOGURGQ-UHFFFAOYSA-N 466.409 2.390 30 10 JEEE CC(C)(C)OC(=O)N[C@]12CO[C@](C(=O)NCc3ccc(B4OC(C)(C)C(C)(C)O4)s3)(C1)C2 2268799586 PRBFOLJBWOEBDE-HZCBDIJESA-N 464.393 2.490 30 10 JEEE C[C@H](OCc1ccccc1)[C@@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(=O)O 2269038901 QGDXZWVISIAYIW-KBXCAEBGSA-N 481.401 2.384 30 10 JEEE CO[C@@H]1[C@H](OC)CN(C(=O)OC(C)(C)C)[C@@H]1COc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2281465626 QBDNVFFMQOKAEF-MDZRGWNJSA-N 464.368 2.409 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@@H]1CNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2281769385 DDGPFPCPJUXGHS-INIZCTEOSA-N 464.343 2.491 30 10 JEEE CC(C)(C)OC(=O)N1CCn2[nH]c(=NC(=O)c3nscc3B3OC(C)(C)C(C)(C)O3)cc2C1 2281805308 XHDKSGYEHIGGBS-UHFFFAOYSA-N 475.380 2.064 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@@](CO)(NC(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2281933858 DZTVKEKXCJQGJP-XMMPIXPASA-N 460.380 2.478 30 10 JEEE Cn1nc(C(=O)N[C@]23CCCN(C(=O)OC(C)(C)C)C[C@H]2C3)cc1B1OC(C)(C)C(C)(C)O1 2281977634 RYGDEVPJYLRQDC-CMJOXMDJSA-N 460.384 2.239 30 10 JEEE Cc1c(C(=O)N2CCN(C(=O)OC(C)(C)C)C(C)(C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281986872 UQYZAAAIKAVGMZ-UHFFFAOYSA-N 462.400 2.499 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@]23CC[C@@H]2CN(C(=O)OC(C)(C)C)C3)n1 2281992435 NSQYGULKNHQLQN-CMJOXMDJSA-N 460.384 2.332 30 10 JEEE C[C@H]1C[C@@H](CNC(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2282038553 JZSPNWOGLVOGHQ-HOTGVXAUSA-N 462.400 2.485 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)O)N(C(=O)c2occc2B2OC(C)(C)C(C)(C)O2)C1 2282048087 HKIWJRQNBKRPLM-DZGCQCFKSA-N 464.324 2.161 30 10 JEEE Cn1ncc(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C(F)F)c1B1OC(C)(C)C(C)(C)O1 2282561505 ZUWNHZQQLCWDKU-MSOLQXFVSA-N 460.334 2.215 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 2282591031 KFFBCFDFHCPQKO-ZMSDIMECSA-N 460.384 2.187 30 10 JEEE C[C@H]1C[C@@H](NC(=O)C(F)(F)F)CN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2282842702 BPUYNBTYMBEQIM-GXTWGEPZSA-N 496.382 2.266 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCOC[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1O 2282989380 FCRWFWWYRKNMHF-IRXDYDNUSA-N 462.352 2.103 30 10 JEEE C[C@H]1CN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C[C@H](C)C1NC(=O)OC(C)(C)C 2283058350 DQNDKHJETXEDBU-GJZGRUSLSA-N 460.384 2.397 30 10 JEEE CC(C)(C)OC(=O)NC1CC(O)(C(=O)N2CCc3ccc(B4OC(C)(C)C(C)(C)O4)cc32)C1 2284051309 MLLVMKWKGPLCQU-UHFFFAOYSA-N 458.364 2.293 30 10 JEEE CO[C@@H]1C[C@@H](C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)CN(C(=O)OC(C)(C)C)C1 2284055992 CHCXVQQDYZMAHM-HUUCEWRRSA-N 481.424 2.331 30 10 JEEE CC(C)(C)OC(=O)NC[C@H](CO)C(=O)N1CCCc2c(B3OC(C)(C)C(C)(C)O3)cccc21 2284060619 PNHXKNTZAHOCAB-MRXNPFEDSA-N 460.380 2.398 30 10 JEEE CN(Cc1ccccc1)C[C@@H](NC(=O)c1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1)C(=O)O 2284493878 GOEYKJVKRKBIDS-HXUWFJFHSA-N 456.323 2.440 30 10 JEEE COc1ccc(N2C[C@H](c3nnc(SCCO)n3N=Cc3ccc(O)c(OC)c3)CC2=O)cc1 2325882738 JUKOUIALQFUFFA-MRXNPFEDSA-N 483.550 2.488 30 10 JEEE CC(=O)O[C@H]1[C@@H]2O[C@@]23[C@@H]2CC[C@@]4(O)C[C@@H](O)CC[C@]4(C=O)[C@H]2CC[C@]3(C)[C@@H]1c1ccc(=O)oc1 2333324407 RDQNOOHJEOAAIW-AMPUDWGFSA-N 472.534 2.094 30 10 JEEE CC(C)(C)OC(=O)N1CC(OCCCNC(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)C1 2337068161 WORCFCJILGNCMS-UHFFFAOYSA-N 450.341 2.335 30 10 JEEE COc1nc(O[C@@H](CNC(=O)OC(C)(C)C)CN(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2339825173 OGIXYWGNHUOJEY-HNNXBMFYSA-N 451.373 2.223 30 10 JEEE C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(F)c(B2OC(C)(C)C(C)(C)O2)c(F)c1 2341180171 XWLNLJRYLAGXBF-MEDUHNTESA-N 456.295 2.477 30 10 JEEE CO[C@H]1[C@@H](C(=O)N2CC[C@@H](B3OC(C)(C)C(C)(C)O3)C2)N(C(=O)OC(C)(C)C)C[C@H]1OC 2342485731 OFXBQGCVQIXXTK-WCXIOVBPSA-N 454.373 2.330 30 10 JEEE Cn1nc(C(=O)NC[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2359279331 CHJBHGQVJSJHGY-UXLLHSPISA-N 460.384 2.237 30 10 JEEE CN(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C)[C@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C 2362338554 SCLZKGBDCSPUIM-CVEARBPZSA-N 462.400 2.485 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@H]2C[C@H](NC(=O)c3occc3B3OC(C)(C)C(C)(C)O3)C[C@@H]21 2369088390 JEHOPGKSBUJMNV-HYVNUMGLSA-N 462.352 2.476 30 10 JEEE C[C@H]1C[C@H]2[C@@H]3CCC4=C(SCC(=O)O)C(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO 31416800 YNWPGLLPEDRZEY-YXMUHAPFSA-N 482.570 2.041 30 10 JEEE COc1ccc(CN(/C(O)=N/S(=O)(=O)c2ccc(C)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 39915137 DCBUYODBIDQIJD-QGZVFWFLSA-N 452.554 2.296 30 10 JEEE CCOC(=O)C1CCN(c2nc3c(c(=O)[nH]2)[C@H](c2cccc(Cl)c2)[C@H](C#N)C(=O)N3)CC1 72444677 GCLJGQVFTPOWND-JKSUJKDBSA-N 455.902 2.427 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1CN(C)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 215691380 MNEIHKPBKDAMTI-WMZOPIPTSA-N 489.426 2.116 30 10 JEEE COc1cc(-c2cc(C(=O)N3CC[C@H](Oc4nccnc4C#N)C3)[nH]n2)cc(OC)c1OC 219950639 LTCAPCYHGSUYDO-AWEZNQCLSA-N 450.455 2.058 30 10 JEEE C=CCOc1c(I)cc(C=NNC(=N)N)cc1I 254512816 VBHUMSQRSIZDEK-UHFFFAOYSA-N 470.052 2.278 30 10 JEEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CCC(=O)N(CCCC)[C@@H]2c2ccccc2OC)CC1 512718327 LZUGIJJTYFGBPN-PXDATVDWSA-N 470.614 2.221 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)N3CCC(C(=O)N4CCCCCC4)CC3)cc2C1=O 918812633 RMIRCTDVJJDYEW-UHFFFAOYSA-N 481.549 2.267 30 10 JEEE COCCn1cc(C=NNc2nc(SCC(=O)Nc3ccc(Cl)c(OC)c3)n[nH]2)cn1 1084367466 CDHCFDRHDIJAMK-UHFFFAOYSA-N 464.939 2.486 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cn3nc(C)cc3C)n2CC2(O)CC(OCC)C2)c1 1286312558 WQTTUNRJRXIONQ-UHFFFAOYSA-N 491.596 2.126 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@H]1CC(F)(F)CO1)[C@@H]1CCS(=O)(=O)C1 1286394877 XKBAGUHHLPCENX-RTBURBONSA-N 464.538 2.114 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@@H]1CCOC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1286395015 YQDLWGVMYLXZBE-BVSLBCMMSA-N 456.612 2.363 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1Cc1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1286395157 RDZKGQGLLXWCRY-IBGZPJMESA-N 469.567 2.157 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccc3C)n2C[C@@]2(C)CN(C)C2=O)n1 1286471581 NKAOSVSWNHRBBU-RUZDIDTESA-N 461.570 2.215 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CC2(N(C)C)CCCCC2)CC1 1286491053 CKXCZPVMOGDBJX-UHFFFAOYSA-N 463.630 2.494 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(C(=O)NC)cc1 1286556433 PFPATXQOMNCFCK-SBHAEUEKSA-N 452.559 2.206 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1286558833 RBAAIOKJVJHVAE-UYAOXDASSA-N 460.623 2.021 30 10 JEEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1286688767 SWDTXKAUUQKAPF-KRWDZBQOSA-N 452.625 2.167 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CC[C@@H](Oc2ccccn2)C1 1286819338 HFGCVYAJBCQILM-GOSISDBHSA-N 454.556 2.302 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCN(Cc2cccc(C)c2)CC1 1286823280 SZPVJXVAXRVBOG-UHFFFAOYSA-N 480.638 2.495 30 10 JEEE C=CCS(=O)(=O)CCn1c(N(C)[C@@H]2CCCc3c2cnn3C)nnc1[C@]1(OC(C)C)CCOC1 1286823739 QCUDJQWDRRWNAH-XXBNENTESA-N 492.646 2.167 30 10 JEEE C=CCSCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1286834169 BYHJJDPMAGKRBH-QZTJIDSGSA-N 476.672 2.346 30 10 JEEE CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H]3Cc4ccc(C#N)cc4C3)CC2)cc1 1288143326 IUBJBJFZVUTILL-JOCHJYFZSA-N 451.548 2.445 30 10 JEEE CCOc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H](C(C)C)N2CCOCC2)cc1OC 1296762929 CFGPIEWVOGDHGY-LEWJYISDSA-N 484.601 2.438 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCCNC(C)=O)[C@H]1CCS(=O)(=O)C1 1300482780 HBEPWNKHPTZUPY-APWZRJJASA-N 494.017 2.224 30 10 JEEE C#CCN(c1nnc(CCOc2ccccc2)n1C[C@@H]1CCC[C@H](O)C1)[C@H]1CCS(=O)(=O)C1 1300501931 ONNGIQMDQVXPOA-HKBOAZHASA-N 472.611 2.077 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2CCc2noc(CC)n2)CC1 1300728746 FCVJRIVGADCCSP-UHFFFAOYSA-N 453.572 2.084 30 10 JEEE C#CCSCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCO[C@H](C)C1 1300768682 VPUHHQQGPIJEBE-OAQYLSRUSA-N 454.644 2.234 30 10 JEEE COCC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)CN(C)C)CC1 1300903054 BWGQMTABKQMCNB-UHFFFAOYSA-N 453.591 2.136 30 10 JEEE C=C(C)COCCn1c(COc2ccc(F)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1301000223 NKNYGKZHJULTEY-UHFFFAOYSA-N 467.567 2.061 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)CC1 1301087224 YAEVDQGGEUPSLU-ROUUACIJSA-N 498.650 2.023 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@@H](CF)c1ccc(Br)cc1 1301497682 ANOJQGKRIDOQRR-HOTGVXAUSA-N 479.354 2.441 30 10 JEEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 1301498232 LQSLIDXQKPBOGR-CTNGQTDRSA-N 471.650 2.055 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1301506771 RYMSMTVWPMNYQD-UHFFFAOYSA-N 476.541 2.109 30 10 JEEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CCN(C2CCOCC2)CC1 1301509713 MPVJNGDBEBXLMX-UHFFFAOYSA-N 452.603 2.057 30 10 JEEE C[S@@](=O)C1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(CC(F)(F)F)CC2)CC1 1302508074 GNLGEGBIYSDOPP-MGBGTMOVSA-N 482.532 2.324 30 10 JEEE CN(Cc1ccc(C#N)cc1)c1nnc(-c2cccnc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1314728895 HHOBKHSIOIEWII-IBGZPJMESA-N 451.556 2.130 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)C(=O)c2cc(S(=O)(=O)N3CCC[C@H](C)C3)cn2C)c1 1357823883 SYRXCMDQUQSNHX-KRWDZBQOSA-N 456.568 2.138 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1CCc1ccc(CC)cc1)[C@@H]1CCS(=O)(=O)C1 1358960551 HALRBYKGERXTNM-HXUWFJFHSA-N 450.568 2.167 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1CCOC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1358964846 IKQUCWVMBNMSAC-CUWPLCDZSA-N 460.575 2.307 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CCC(C)(F)F)[C@H]1CCS(=O)(=O)C1 1358965872 CTUFKFASGLEODC-KRWDZBQOSA-N 463.510 2.401 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1Cc1cnccc1OC)[C@@H]1CCS(=O)(=O)C1 1358966129 IHHYXRGAPNNPJM-HXUWFJFHSA-N 481.578 2.244 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CC(=O)N1CCOCC1 1358988710 ACCIPDAIXBNMLV-UHFFFAOYSA-N 465.554 2.063 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cn(C)c3ccccc23)n1CCN/C(O)=C1\N=CC=CC1=O 1358990879 FVPBWERCJBWEBY-WJTDDFOZSA-N 467.533 2.426 30 10 JEEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1CCCS(=O)(=O)c1ccccc1 1359007859 YXWZKXOCTAIHPB-UHFFFAOYSA-N 455.540 2.329 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2Cc2c(Cl)c(C(F)(F)F)nn2C)CC1 1359033395 AJYZJHROGXRFOV-UHFFFAOYSA-N 452.872 2.482 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CC(F)(F)CNC(=O)OC(C)(C)C)CC1 1359037576 OOIXBWTZLDLRKB-UHFFFAOYSA-N 475.544 2.179 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@]2(N(C)C)CCC[C@@H](C)C2)CC1 1359045029 VAIBWGDCWBAQSE-DZRGJMJISA-N 456.635 2.258 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1359092798 GKYVIKGQAUYWBC-RADBSXNGSA-N 486.569 2.304 30 10 JEEE C=C(C)COCCn1c(Cc2ccc(F)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1359133873 CIYFYIUAKOUJKO-IBGZPJMESA-N 456.522 2.073 30 10 JEEE C=C1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2cccc(OCC(N)=O)c2)CC1 1359167984 CWBJOXYFSXNOPA-UHFFFAOYSA-N 466.567 2.338 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2cc(C)on2)CC1 1359183713 RRLPNVUHMCFSIH-QGZVFWFLSA-N 465.624 2.109 30 10 JEEE C=CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1359217412 YRHODIXGHIRBFN-ROUUACIJSA-N 475.594 2.109 30 10 JEEE 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 1359240020 DDOIRVQOYBDWRS-FGTMMUONSA-N 469.652 2.463 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1359294230 OHOYCKGTWHRBTH-QGZVFWFLSA-N 481.557 2.415 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1359303843 CHNCHZUZPQREAS-UHFFFAOYSA-N 481.557 2.088 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N(C)[C@H](C)c1cc(F)ccc1F 1359326698 IEPAJIJIDLUYNF-CQSZACIVSA-N 455.531 2.493 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CCN2CCCC[C@H]2C)CC1 1359331812 IMLWFYZOXWOBHW-TZIWHRDSSA-N 492.690 2.311 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccc(OC)cc1)N1CCCC1 1507514442 CUIUIHUWBRSXTK-WFXMLNOXSA-N 474.631 2.192 30 10 JEEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(NC(=O)C(C)C)CC1 1507583724 VZCXSWWGSBQMSY-UHFFFAOYSA-N 461.570 2.346 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1CCc1ccc2c(c1)OCCO2)[C@H]1CCS(=O)(=O)C1 1507623216 PQYNWCXGQFZQLE-MJGOQNOKSA-N 458.584 2.432 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1CC1(O)CCN(C(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 1507630279 WAPUTONTABLBNM-OAQYLSRUSA-N 485.654 2.116 30 10 JEEE C#CCN(CC#CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC1([S@](C)=O)CCC1 1507672782 HKBPKZQRMINONE-DHUJRADRSA-N 492.693 2.407 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccccc2CN2CCCC2=O)CC1 1507716957 XGTCWSQCGZWHLF-UHFFFAOYSA-N 491.640 2.122 30 10 JEEE C#CCN1CCN(c2nnc(-c3cnccn3)n2C[C@H](NC(=O)OC(C)(C)C)C(C)C)CC1 1507723382 GOJSHENURUMXIX-IBGZPJMESA-N 454.579 2.040 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H]2CCCCS2)CC1 1507736635 RBEHTTXIBWNYBH-XXBNENTESA-N 461.632 2.182 30 10 JEEE C#CCSCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCN(CCOC)C(=O)C1 1507752268 VHVXCIDZEBCWIH-UHFFFAOYSA-N 466.567 2.262 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1C[C@]1(O)CCO[C@@H]1C 1507996917 MGVOFYMQHBXDOR-HOYKHHGWSA-N 450.543 2.118 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c(CC)nnc1N1CCN(C(=O)N2CCOCC2)CC1)C(C)C 1508012751 INJBJGDPFGYOIY-NRFANRHFSA-N 459.639 2.113 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)N1CCC[C@@H](C)C1 1508018244 BDCGHNLUKQUODT-UXHICEINSA-N 480.679 2.300 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Br)c2)nnc1N1CCC[C@H](CC(N)=O)C1 1508137097 YGBFMYFQNDBFNZ-OAHLLOKOSA-N 496.431 2.400 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@@H](COCC)C1 1508145534 MQSOCMGEPDOUFX-XLIONFOSSA-N 462.572 2.254 30 10 JEEE Cn1nncc1Cn1c(COc2ccc(Br)cc2)nnc1N1CC[C@@](F)(C#N)C1 1517426791 DRLJCZNZARVJGG-GOSISDBHSA-N 461.299 2.238 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1CC1(S(C)(=O)=O)CCC1 1538974931 ZUUWPXQIIKHCNY-ZDUSSCGKSA-N 454.394 2.471 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1CCCN(C(C)C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1539212216 SXXAAIJPQUSBIO-HXUWFJFHSA-N 458.632 2.476 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@H](C)N(C)C1CC1)[C@H]1CCS(=O)(=O)C1 1539229874 JABYFEPTLVJCBX-FPOVZHCZSA-N 471.627 2.275 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@](C)(O)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1539230229 DWIAFYUNRDLCMU-WOIUINJBSA-N 450.605 2.088 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)c1cccc(Cl)c1 1539324839 XZCMENLSQYSBKS-VGSWGCGISA-N 460.987 2.204 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2Cc2c(C)nn(C)c2C)CC1 1539427359 BYKJIFKYTWKINP-UHFFFAOYSA-N 460.586 2.301 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2CC2(O)CCOCC2)CC1 1539441824 WFOAXNSIGVYSHY-UHFFFAOYSA-N 469.586 2.039 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CC[C@@H]2CCO[C@@H](C)C2)CC1 1539484649 XTHFDPVUUYYTTR-VQTJNVASSA-N 450.587 2.435 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCCCSC 1539557154 MCWKMRBKCFRZOK-YLJYHZDGSA-N 455.650 2.136 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc2c1OCCCO2 1539670157 XYBKSLLVFMZAAU-HXUWFJFHSA-N 491.614 2.223 30 10 JEEE C=CCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1540027889 FNWFWWCGYBTVLW-NRFANRHFSA-N 450.543 2.237 30 10 JEEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1540040214 PCMUCACZRDGMTN-OAQYLSRUSA-N 457.623 2.422 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2(CC(C)C)CC2)C1 1540892048 DTXWSLAFPDJXDH-MOPGFXCFSA-N 467.636 2.219 30 10 JEEE CCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1546838764 BQWQEZPFOIGPSQ-GCJKJVERSA-N 460.604 2.133 30 10 JEEE COC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCN2CCCO)C1 1554513834 BHGNCPQCQULASJ-NHCUHLMSSA-N 452.559 2.053 30 10 JEEE CS(=O)(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOc2ncccc2Cl)CC1 1555810185 AEJNGSOBRQDADQ-UHFFFAOYSA-N 487.973 2.026 30 10 JEEE C#CCN(C)c1nnc(-c2ccccc2Br)n1CCCN(CC)S(C)(=O)=O 1587958790 UGSYGPVCVMLHAP-UHFFFAOYSA-N 454.394 2.449 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC[C@@H](OCC)C1CCCC1)[C@H]1CCS(=O)(=O)C1 1588049312 FAAHWXIBKLULNL-LEWJYISDSA-N 474.631 2.291 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@](C)(O)c1ccsc1)[C@@H]1CCS(=O)(=O)C1 1588055485 WKYNQJTYBVGGOD-LQWHRVPQSA-N 464.613 2.116 30 10 JEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1c(CC)nn(C)c1CC 1588124251 HUSPOSMLTOLELW-UHFFFAOYSA-N 478.626 2.218 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2c(F)cccc2OC(F)F)CC1 1588732830 HKHLIOMKRFTLBQ-UHFFFAOYSA-N 485.470 2.469 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CCCN2CCCO[C@H](C)C2)CC1 1588946318 BEVLUNNOSWTOBN-HXUWFJFHSA-N 458.651 2.333 30 10 JEEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1CCN(CC(=O)NCc2ccccc2)CC1 1589047798 JRMZCKLJMYPJDX-UHFFFAOYSA-N 463.611 2.078 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(C)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1589567241 CFTZNSDCSMHVHC-FJIJXJHWSA-N 469.586 2.488 30 10 JEEE C=CC1CCN(c2nnc(-c3cnn(C)c3)n2CCNS(=O)(=O)c2ccc(C)s2)CC1 1594229371 LZXPJMZESXTZAH-UHFFFAOYSA-N 461.617 2.429 30 10 JEEE C=CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1594784213 UNDJIPYBFOSPOL-HBFSDRIKSA-N 452.563 2.345 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1595496806 IABZWJULHDUOQX-KRWDZBQOSA-N 469.527 2.498 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCS(=O)CC1 1595650190 ZETZYAZIQNIPMG-UHFFFAOYSA-N 452.540 2.107 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CC[S@](=O)CC)C1 1595682226 YXESZNMBJJCMRX-UJQZNKFNSA-N 480.660 2.097 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCc2ccccc2C1 1595760538 PJGDUGLZKUBYIO-UHFFFAOYSA-N 452.540 2.089 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)c2ccc(C)cc2)CC1 1595812002 KCYMLTHVVHNZIL-UHFFFAOYSA-N 494.621 2.136 30 10 JEEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)Cc1csc(NC(=O)c2ccccc2F)n1 1648640862 ANNFVNXEOYUDJZ-UHFFFAOYSA-N 455.475 2.147 30 10 JEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CNC(=O)c2ccccc2)C1 1689930361 QDHRAAVMQHBWMJ-PZJWPPBQSA-N 469.611 2.240 30 10 JEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1CCN(C(=O)OC)CC1 1689965748 CGVDUZMGWKCJOW-SFHVURJKSA-N 476.578 2.134 30 10 JEEE C#CCN(c1nnc(C)n1Cc1ccc(OCc2ccccn2)cc1)[C@H]1CCS(=O)(=O)C1 1689982129 IIJWTBFWUSXHFU-NRFANRHFSA-N 451.552 2.236 30 10 JEEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(F)c(C)c1)[C@@H]1CCS(=O)(=O)C1 1689982790 UOBWXYCAXOJMLK-HYBUGGRVSA-N 490.601 2.441 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@]1(OC)CCOC1 1690031455 KUVYXFZXQAENGQ-QHCPKHFHSA-N 455.946 2.130 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1C[C@H](c1ccc(C)cc1)N1CCOCC1 1690099738 JJVVPRWRYGOJAA-HSZRJFAPSA-N 463.586 2.147 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2C[C@]2(OC)CCOC2)CC1 1690112398 XFJQSHPXVJEMNW-NBGIEHNGSA-N 469.586 2.378 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H](C(C)C)N2CCOCC2)CC1 1690113693 QRPULONLXZGTQM-FQEVSTJZSA-N 490.450 2.148 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2Cc2cc(C)no2)CC1 1690114689 DKVGNOYUWVQNSK-UHFFFAOYSA-N 452.515 2.071 30 10 JEEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1690172462 GLHSVBNYLWFTMT-SFHVURJKSA-N 452.646 2.476 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1cnn(C)c1 1690432635 HZXAVFAYKCBOTD-RTBURBONSA-N 477.635 2.288 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1690670698 HHWSVPKDFAVIST-OKZBNKHCSA-N 462.595 2.214 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(C)cc3)n2CCN2CCN(C(C)=O)CC2)C1 1690711410 ACJJUOXBQCAQAS-HSZRJFAPSA-N 468.602 2.111 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@H](OCC)C1 1690724893 YEBGFZLSCMPUID-PXNSSMCTSA-N 462.572 2.397 30 10 JEEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1705510382 YPWGOLPKUKAFIJ-IAGOWNOFSA-N 466.629 2.410 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1ccnc(OC(F)F)c1)[C@H]1CCS(=O)(=O)C1 1705564246 MWCWPHYUQLOFPS-INIZCTEOSA-N 474.493 2.012 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(OCCC)c(OC)c2)n1C[C@H]1CCS(=O)(=O)C1 1705578486 UTGCHUIBYQWSTE-GOSISDBHSA-N 456.568 2.250 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccn2)n1CCc1ccc(S(N)(=O)=O)cc1 1705676292 WCWLPMOLODHUIZ-HSZRJFAPSA-N 450.568 2.146 30 10 JEEE C=C(C)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC(C(=O)NC)CC1 1705727811 CASIKOBZIIXUIV-UHFFFAOYSA-N 451.619 2.181 30 10 JEEE C=C(Cl)Cn1c(-c2cccn2C)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1705751134 AWGIXHJUIFRSJN-INMHGKMJSA-N 497.021 2.163 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1705909386 VPSIQLSJKDGHRC-DENIHFKCSA-N 484.576 2.491 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 1705934271 HQNYUROUEOJYDW-DOTOQJQBSA-N 453.609 2.496 30 10 JEEE CC[C@@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1ccc(C#N)cc1)C1CC1)OC 1708796773 BLIQZPCPAHBCPL-SFTDATJTSA-N 488.614 2.077 30 10 JEEE CCO[C@@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2CCCN2CCN(CC)CC2)CCOC1 1710465537 AKFPGNUZMQFLIJ-RPWUZVMVSA-N 459.639 2.088 30 10 JEEE CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCN1CCN(C)C(C)(C)C1 1710856886 GPZKCIIACXXXNK-LJQANCHMSA-N 487.674 2.102 30 10 JEEE CN(Cc1ncc(Cl)n1C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1711120143 FCCWDVRAWNAFOH-INIZCTEOSA-N 489.005 2.122 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCC(F)(F)C2)c1 1722305597 SJXCYDWDTRTBAM-RDJZCZTQSA-N 494.568 2.380 30 10 JEEE C#CCCCCn1c(N2CCC(C(=O)N3CCOCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1722323779 XNSFXPZYDCGBRU-RUZDIDTESA-N 473.618 2.197 30 10 JEEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CCCC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1722367118 VBZSQJSOLNPPRK-XUZZJYLKSA-N 494.658 2.152 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CC(C)(C)c1ccccn1)[C@H]1CCS(=O)(=O)C1 1722369268 XBXMKJWCDUUFMI-OALUTQOASA-N 457.600 2.172 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1CCCN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1722369583 BMQFIDHCDVTOFX-HXUWFJFHSA-N 489.617 2.499 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1Cc1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1722370235 AVGXGWKMXPEOPS-HXUWFJFHSA-N 453.568 2.343 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 1722413554 ODOGVCKPQCLFMQ-QZTJIDSGSA-N 477.631 2.429 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc4cccnc34)n2C[C@@H](COC)OC)CC1 1722445115 LSVKRGIIXXXKOI-FQEVSTJZSA-N 462.554 2.121 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1Cc1cc(C)nn1C 1722446628 GBIXHVXPRMZPNC-UHFFFAOYSA-N 474.569 2.241 30 10 JEEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1722465886 VXBSGFMUGWGDRR-MBSDFSHPSA-N 453.568 2.479 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C)CC1 1722505556 BTFULXVEVXNIIM-ZRNYENFQSA-N 467.636 2.219 30 10 JEEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 1722523120 BKJMENCELQWMTG-DOTOQJQBSA-N 452.602 2.357 30 10 JEEE C=CCCCn1c(N2CCN(c3nccnc3C#N)C[C@@H]2C)nnc1[C@]1(OCC)CCOC1 1722622665 MIIDRIGEHXSSPW-MBSDFSHPSA-N 452.563 2.273 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c(-c2cccnc2)nnc1N1CCN2C(=O)NC[C@H]2C1)C(C)C 1722667538 VXMIWFGIHDEJRH-SFTDATJTSA-N 450.591 2.253 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCC(C(N)=O)CC1 1722688894 OBKQEFZYWQZTAW-UHFFFAOYSA-N 461.570 2.357 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(Cc2csc(C(C)(C)C)n2)CC1 1722696923 CSIVBPOVCYASHD-UHFFFAOYSA-N 483.646 2.057 30 10 JEEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@](C)(OC)CC1 1722697662 OHGTZCWQYHPFMV-QHCPKHFHSA-N 451.531 2.292 30 10 JEEE CC(C)[C@@H](Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@H](C)CC#N)N1CCOCC1 1723119377 GSUHXKUGJALFAI-WIYYLYMNSA-N 478.601 2.287 30 10 JEEE Cc1cc(C)n(Cc2nnc(N3CCN(c4cc(C#N)ccn4)CC3)n2C[C@@](C)(O)C(C)C)n1 1726122386 BEWVJHOUUVEHSJ-XMMPIXPASA-N 463.590 2.140 30 10 JEEE Cc1nc(C)n(C[C@H]2CCCN(c3nnc(-c4ccc(C#N)cc4)n3CC(=O)NC(C)C)C2)n1 1726170923 DKOCHAKUDNNTLJ-FQEVSTJZSA-N 461.574 2.466 30 10 JEEE CCN(CCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCO[C@H](C#N)C1)S(C)(=O)=O 1728494121 CGNLKSGWYLLZFB-MRXNPFEDSA-N 482.994 2.007 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](Nc2ccccc2)C1 1740591376 OQFVXVAWGRPZFS-RTWAWAEBSA-N 472.615 2.105 30 10 JEEE C#CCN(c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@]1(O)CCO[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1740618165 DATZIEMPGXTMEY-NXQMDHLFSA-N 486.638 2.409 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@H]1CSCCS1)[C@H]1CCS(=O)(=O)C1 1740619249 MWKQOODIPAEOTP-HOTGVXAUSA-N 452.627 2.322 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCN1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1740621201 UOYNYMHEEFYQBB-QFIPXVFZSA-N 466.611 2.175 30 10 JEEE C#CCN(c1nnc(CSc2ccc(Cl)cc2)n1C[C@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1740627284 GENIJOGYKWFEHV-MSOLQXFVSA-N 497.042 2.266 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCCNS(C)(=O)=O)CC1 1740692412 KDEMZJFBWQLAJZ-UHFFFAOYSA-N 495.653 2.047 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2Cc2cccc(CO)c2)CC1 1740706768 CAGIBCTTYQAEJG-UHFFFAOYSA-N 464.595 2.140 30 10 JEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)c2ccc(C)s2)CC1 1740715507 BGAZBIQYZUJUDV-QGZVFWFLSA-N 472.640 2.364 30 10 JEEE C=C(Br)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CCOC)C(=O)C1 1740738183 GPJYULUZLKFTTA-UHFFFAOYSA-N 465.308 2.057 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(c2ccnn2C)CC1 1740955354 RHRAVBCOGNGDGG-UHFFFAOYSA-N 465.558 2.382 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC2CCN(C(C)=O)CC2)C1 1740973320 VJBDIZXSWMSCMY-XUZZJYLKSA-N 461.607 2.359 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](C)[C@@H](C)C1 1740988040 RPCVOEJWNMICLA-SJORKVTESA-N 466.629 2.432 30 10 JEEE C=CCS(=O)(=O)CCn1c(CSc2ccc(C)cc2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1740993533 DVKLJEUDZRVXQE-JOCHJYFZSA-N 475.640 2.339 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC(=O)NCc1ccco1 1748664015 BYXOOOYSIPOQGF-INIZCTEOSA-N 459.510 2.042 30 10 JEEE C#CCN(c1nnc([C@H](C)OCCOC)n1CC(C)(C)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1748803967 BMTLUTLWBOGQDD-LSDHHAIUSA-N 466.526 2.217 30 10 JEEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1=CCCCC1)[C@H]1CCS(=O)(=O)C1 1748808545 KYBJZEPTJCNDJT-FQEVSTJZSA-N 488.635 2.476 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2Cc2cccc(C(=O)NCCC)c2)CC1 1748990230 GECOHCUWWSPJRO-QFIPXVFZSA-N 450.587 2.115 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 1749020679 ZKLBSRQBAVGQIO-QGZVFWFLSA-N 494.577 2.363 30 10 JEEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1749097689 HMDNCSINRZFGLB-LSDHHAIUSA-N 453.385 2.126 30 10 JEEE C=CCC(C)(C)Cn1c(N2CCN3C(=O)N(CC)C(=O)[C@@H]3C2)nnc1[C@@]1(OCC)CCOC1 1749376903 IWIZBHBUUMNKOY-GAJHUEQPSA-N 460.579 2.005 30 10 JEEE C=CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CC1CCN(C(=O)OC)CC1 1749597623 JGUVMIRYLKVHHC-UHFFFAOYSA-N 460.535 2.123 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1C[C@H](O)CC2(CCCC2)C1 1749680699 OEWLLTFMWAQXTF-GOSISDBHSA-N 455.559 2.299 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(-n3ccnc3)c(F)c2)C1 1749696700 CSXONMXCZNTYLF-SJLPKXTDSA-N 489.577 2.043 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Br)c2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1749724624 KRRAXPWBEWRRSD-HXUWFJFHSA-N 496.431 2.271 30 10 JEEE CC(=O)NCCN(Cc1ccsc1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCS(=O)(=O)C1 1750054880 CYCZZMJUNUZWQL-HXUWFJFHSA-N 498.634 2.456 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccccc1CN1CCC(O)CC1 1760126757 ILIHLNPQNYBIRB-APTRMMRNSA-N 467.614 2.465 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C)N2CCC(C)CC2)c1 1760128760 RKXCKHLMWFHKBE-KNQAVFIVSA-N 477.613 2.406 30 10 JEEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(COCC(F)(F)F)cc1 1760176112 ZDKZQHNVTYJEJF-KRWDZBQOSA-N 456.490 2.377 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CC1(C)CCCC1)[C@@H]1CCS(=O)(=O)C1 1760182371 JDFHBXDAZUUOAW-QGZVFWFLSA-N 456.572 2.132 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H](OC)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1760192887 PFHZJHAAHJREEI-CBPXPLCBSA-N 488.610 2.017 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1C[C@H](C)N1CCN(c2ccccc2)CC1 1760249611 PAROBECFRCOCCX-XZOQPEGZSA-N 466.630 2.469 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(OC)cc2C(F)(F)F)CC1 1760252954 YXSGVLIHTMBCNQ-UHFFFAOYSA-N 464.492 2.247 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(C)nc4ccccc34)n2CCCNC(C)=O)CC1 1760266646 HMAPSQMCBFQVDJ-UHFFFAOYSA-N 473.581 2.294 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CSc3ccccc3OC)n2C[C@@]2(O)CCO[C@H]2C)CC1 1760273343 PRMSJBRTELKISQ-BVZFJXPGSA-N 499.637 2.085 30 10 JEEE C#CCSCCn1c(-c2cccc(Br)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1760273935 GFFPRRPXYDTDRW-MRXNPFEDSA-N 464.389 2.025 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccccc2F)nnc1N1CCN(CC(=O)N(C)C)CC1 1760325062 OVMOWUGFOWFAIA-CYFREDJKSA-N 486.592 2.188 30 10 JEEE C=C(C)COCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCOCC1 1760358054 QWIUPAQITPEAAK-GOSISDBHSA-N 451.568 2.406 30 10 JEEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CCOC(C)C)CC1 1760510188 JOPDYKLWDPRBSA-LJQANCHMSA-N 464.611 2.320 30 10 JEEE C=CCNC(=O)Cn1c(N(C)Cc2cnn(CC)c2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1760528036 PYUHDWDTGRCSLF-HDICACEKSA-N 472.594 2.204 30 10 JEEE CCN(c1nnc(COc2ccc(C#N)cc2)n1Cc1ncccc1N(C)C)[C@H]1CCS(=O)(=O)C1 1766510149 GYEJLRXNTLRVHV-IBGZPJMESA-N 495.609 2.251 30 10 JEEE Nc1cccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccc([N+](=O)[O-])c2)c1 1862558621 WALMNMAJAAUQHC-OAQYLSRUSA-N 466.494 2.478 30 10 JEEE O=C(C1=C(O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccc(O)c([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1 1862758659 CFMFMPQPFLMNFK-FQEVSTJZSA-N 498.448 2.119 30 10 JEEE CSCC[C@@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)N1CCN(c2ccc(F)cc2)CC1 1869929717 LCUUCVXWTJGFFZ-LJQANCHMSA-N 476.599 2.335 30 10 JEEE CCN1CCN(Cc2cc(=O)c(OCc3ccc(C#N)cc3)cn2CCN2C(=O)CSC2=O)CC1 1870350364 BQVIZDPVTNQDKZ-UHFFFAOYSA-N 495.605 2.132 30 10 JEEE CN(C)c1nc(CNC(=O)C2CCN(c3oc(-c4cccs4)nc3C#N)CC2)nc(N(C)C)n1 1891338210 OQWZFNBISJYDOX-UHFFFAOYSA-N 481.586 2.125 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)[C@H](CO)C2)C1 2255203050 MAFCFKKPYJFGLL-GBXAEXGJSA-N 451.564 2.027 30 10 JEEE CO[C@@H]1CN(C(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C[C@H]1NC(=O)OC(C)(C)C 2255811995 VATHOWWBWLHLKO-HZPDHXFCSA-N 452.382 2.411 30 10 JEEE CC1(C)OB(c2occc2C(=O)NC[C@H]2CN(C(=O)OCc3ccccc3)CCO2)OC1(C)C 2255845488 JSYHOZMMOSDVCS-SFHVURJKSA-N 470.331 2.346 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)CCO1 2255871508 VVNBHMYIQAKAJH-AWEZNQCLSA-N 452.382 2.413 30 10 JEEE Cc1ccc(S(=O)(=O)N2CC(NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2255932341 YIFIYNOJDPDPFE-UHFFFAOYSA-N 452.382 2.192 30 10 JEEE CC(C)(C)OC(=O)NCCC(F)(F)CC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2256617528 JXYZNXWMHIIBKJ-UHFFFAOYSA-N 462.328 2.138 30 10 JEEE C[C@@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2256618116 OPKVGGSTIWRECF-XJKCOSOUSA-N 454.398 2.499 30 10 JEEE C[C@H](c1cc(B2OC(C)(C)C(C)(C)O2)cs1)N(C)C(=O)[C@@H](CO)NC(=O)OC(C)(C)C 2256624884 PWHPXRQNFIOLJW-UKRRQHHQSA-N 454.398 2.452 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)s1)C1COC1 2256640826 VYTQWUPWYZKISB-MRXNPFEDSA-N 452.382 2.203 30 10 JEEE CN(Cc1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(=O)C1(NC(=O)OC(C)(C)C)COC1 2256677759 ZKMWHMLBHYNLBJ-UHFFFAOYSA-N 452.382 2.299 30 10 JEEE CC(C)(C)OC(=O)N1CCN(CCNc2nccc(B3OC(C)(C)C(C)(C)O3)c2F)CC1 2266072971 TUQCREGRSTUGSF-UHFFFAOYSA-N 450.364 2.485 30 10 JEEE COC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2267001308 JMZCVPOAGNTVSL-AWEZNQCLSA-N 467.397 2.150 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H]1NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2267471079 DVGDFYYVGQYIHL-KBPBESRZSA-N 487.453 2.165 30 10 JEEE Cn1nc(C(=O)NCC(F)(F)CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2267502582 PZTFHJVUWHZFTC-UHFFFAOYSA-N 478.733 2.263 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](CO)[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2267527387 GQQSKNSSRWVKCC-GDBMZVCRSA-N 466.409 2.395 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CC[S@](=O)(=NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267592500 NCKWALVMEKCOBN-IBADJEFMSA-N 465.381 2.286 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1F 2267596397 JLHDNZIHPNQWQB-HOTGVXAUSA-N 451.348 2.402 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C[C@@H]1CO 2267616399 SHSASPWUDZDEIJ-HUUCEWRRSA-N 466.409 2.395 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1CCN(S(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2267705252 GKGFVJJEYSTZBU-AWEZNQCLSA-N 487.453 2.119 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)CC[C@H]1C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2279289603 HJXFUUOGWIJBRJ-MOPGFXCFSA-N 460.380 2.362 30 10 JEEE CC1(C[S@](C)(=O)=NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2281924297 QBDUQICQVIMMKO-XIFFEERXSA-N 482.412 2.204 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@@H](C)N(C(=O)OC(C)(C)C)CC1 2282001414 AZXWXLQQYSXDOT-OAHLLOKOSA-N 462.400 2.499 30 10 JEEE CC1(C)OB(c2cnc(C(=O)N3CCN(Cc4ccccc4)[C@H](C#N)C3)c(F)c2)OC1(C)C 2282037639 YCRCQCIIYKAENS-LJQANCHMSA-N 450.323 2.370 30 10 JEEE CN(Cc1n[nH]c(NC(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)n1)C(=O)OC(C)(C)C 2282054953 XIWZARKRQCPMIR-UHFFFAOYSA-N 458.328 2.118 30 10 JEEE Cc1c(C(=O)NCC[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282063407 LGGQOBXBUFWDTI-IYBDPMFKSA-N 462.400 2.451 30 10 JEEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CCNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2282181465 GLKVBKNYFWSIGM-HZPDHXFCSA-N 460.384 2.399 30 10 JEEE C[C@@H](O)CN(CCNC(=O)c1cc(F)ccc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2282399092 JBSPVXUVESSWJJ-OAHLLOKOSA-N 466.359 2.473 30 10 JEEE CO[C@@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2F)C[C@@H]1NC(=O)OC(C)(C)C 2282403844 YPNWKSZYUBRTSD-ZWKOTPCHSA-N 464.343 2.489 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](C(=O)O)N(C(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2282521224 WMHUOMRUZLEBOV-OLZOCXBDSA-N 481.380 2.025 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)[C@H](CO)CC1 2282523610 ALFQERUBBROSNA-GJZGRUSLSA-N 481.424 2.180 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H]2OCCN(C(=O)c3occc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2282536293 AITKWOZMFNCIQR-IRXDYDNUSA-N 462.352 2.429 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)n1 2282590227 YHARPPAJAXZYOM-WNSKOXEYSA-N 460.384 2.189 30 10 JEEE Cc1c(C(=O)NC[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282595103 OYSPZSLLUKDQLN-QHCPKHFHSA-N 462.400 2.405 30 10 JEEE CC(C)(C)OC(=O)N1CC2(C1)CS(=O)(=O)CCN2C(=O)C1CC(B2OC(C)(C)C(C)(C)O2)C1 2282656307 SEFWKIXETOHNEO-UHFFFAOYSA-N 484.424 2.105 30 10 JEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2282677857 DWLKUCCZIVWKSC-FUHWJXTLSA-N 461.368 2.135 30 10 JEEE COC(=O)c1[nH]c(C)c(C(O)=C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccc(OC)c2)c1C 2296930190 FYPGGNXBANVSNM-QFIPXVFZSA-N 497.548 2.181 30 10 JEEE COc1ccc(C(O)=C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(O)cc2)c(C)c1 2297742297 GIFXDXOSAMKOAT-JOCHJYFZSA-N 452.507 2.463 30 10 JEEE COC(=O)CSc1nnc([C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)n1N=Cc1cccnc1 2325881701 VEIWBFBJPKCOMF-MRXNPFEDSA-N 466.523 2.350 30 10 JEEE COc1ccc(Cc2nnc(SCC(N)=O)n2N=Cc2cc(OC)c(OC)cc2OC)cc1 2329258523 TYBATJDQNGIFDL-UHFFFAOYSA-N 471.539 2.363 30 10 JEEE COc1cc(C=Nn2c(SCCCO)nnc2C(F)(F)F)ccc1OCCN1CCOCC1 2331152002 ULABOSUGJHZJPL-UHFFFAOYSA-N 489.520 2.373 30 10 JEEE C[C@@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)N1CCc2scc(B3OC(C)(C)C(C)(C)O3)c2C1 2336502543 YEUSGRJTQOTMBX-DYVFJYSZSA-N 466.409 2.206 30 10 JEEE Cn1nc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H]3CCC[C@@H]32)cc1B1OC(C)(C)C(C)(C)O1 2367686941 MBJPHJLVQZXSNF-DLBZAZTESA-N 460.384 2.333 30 10 JEEE Cc1nn(C)c(C(=O)N(C)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2F)c1B1OC(C)(C)C(C)(C)O1 2369668829 GCTAFKAGORUTDS-LSDHHAIUSA-N 466.363 2.057 30 10 JEEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)cc3)c2)CC1 27165500 OKXYWKVHRFIVSA-UHFFFAOYSA-N 470.595 2.164 30 10 JEEE Cc1ncc(/C(O)=C2/C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(F)cc2)c(C)n1 102753514 USMPAZNGMGPXKS-SADKCHQCSA-N 454.502 2.377 30 10 JEEE C=CC[C@H](CO)NC(=O)c1cc(I)cc(I)c1O 320731706 KMSVNNQQTTVNNL-MRVPVSSYSA-N 473.048 2.268 30 10 JEEE N#Cc1ccccc1S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2C(F)(F)F)CC1 488913023 CDWUMJOGRZAKFT-UHFFFAOYSA-N 477.461 2.411 30 10 JEEE C[C@]12CC[C@@H]3[C@H](CC[C@@]4(O)C[C@H](O)CC[C@]34/C=N/N3CCOCC3)[C@@]1(O)CC[C@H]2C1=CC(=O)OC1 504451911 CERLQMOZFXRTGG-YTZCDHBZSA-N 488.625 2.017 30 10 JEEE COc1ccc(OC)c(S(=O)(=O)N(CCCN2CCOCC2)Cc2ccc(C#N)cc2)c1 586137592 PPQDYIGKIVHAQN-UHFFFAOYSA-N 459.568 2.489 30 10 JEEE C#CCNC(=O)CN1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)c2cccc(Cl)c2)CC1 728530844 VWXBTYGIJHNQHU-NYVOZVTQSA-N 471.001 2.007 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)NCC2(n3cc(Br)cn3)CC2)ccc1F 1133288457 VXSVXBOHZSDCDC-UHFFFAOYSA-N 457.325 2.168 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCN1CCSCC1 1286287832 DUWDUMJPWYOAIO-QGZVFWFLSA-N 451.600 2.182 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1ccnc(SC)c1)[C@@H]1CCS(=O)(=O)C1 1286391977 KKVKKODUFHVTED-LJQANCHMSA-N 468.608 2.056 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCO[C@H](C)C1 1286410514 UMOJPRWAMZCWLR-AABGKKOBSA-N 457.575 2.474 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@H](C)N2CCC(C)CC2)CC1 1286489693 CNIOASHUQCUUAX-FQEVSTJZSA-N 451.619 2.370 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1286555760 LJXXPIXOJHOBBH-VJANTYMQSA-N 495.646 2.265 30 10 JEEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1286692212 BDLVTDPDMSYAJA-UHFFFAOYSA-N 486.642 2.059 30 10 JEEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](COCCOC)C1 1286776149 GDHDWZRKQSZVCD-QZTJIDSGSA-N 451.568 2.262 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1286779165 FQWDXOYYMOHLLT-MRXNPFEDSA-N 481.557 2.001 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1286792295 UECAWWZZMZMILT-LJQANCHMSA-N 466.586 2.271 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1C[C@@H](C)C[C@H]1CC 1286818809 OXLZRBFXFCSACO-DLBZAZTESA-N 480.660 2.464 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1286820230 HRDAPEIJWGPYSB-SFHVURJKSA-N 453.653 2.456 30 10 JEEE CO[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1)C(C)C 1299657565 GZJDNYKYQDTTPY-FQEVSTJZSA-N 460.604 2.348 30 10 JEEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1300371822 INBHBBGOLWTECW-SFHVURJKSA-N 453.572 2.385 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1Cc1cc(C)on1)[C@H]1CCS(=O)(=O)C1 1300484674 UPHKRTXNBJSOPX-HNNXBMFYSA-N 479.360 2.007 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1ccc(F)c(F)c1)[C@H]1CCS(=O)(=O)C1 1300499881 ZEJHGUDZEOJKIB-SFHVURJKSA-N 457.506 2.217 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCCNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1300505733 HKIJHDRGVGWESY-QZTJIDSGSA-N 481.619 2.061 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN1C1CCCCC1 1300578330 LEZXIZHODICXSH-IRLDBZIGSA-N 457.644 2.440 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1(N(C)C)CCOCC1 1300619281 UWEJHRQVJSPYHR-UHFFFAOYSA-N 463.586 2.245 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@](O)(c2ccccc2)C(F)(F)F)CC1 1300681778 BNXPFUYBRUFHMQ-QHCPKHFHSA-N 492.546 2.402 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCCn2ccnn2)CC1 1300726967 SRFJVUDKMFWSSX-UHFFFAOYSA-N 466.977 2.170 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 1300761385 CENUPQJVEPNZNR-SFHVURJKSA-N 497.687 2.288 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](CN(CC)CC)C1 1300886308 WYOWPZKEHHDERP-CGXNFDGLSA-N 465.664 2.330 30 10 JEEE C=C(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1300939088 NESOUZBGCLAEAU-UHFFFAOYSA-N 475.479 2.392 30 10 JEEE C=CCN(Cc1cccs1)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCN1S(C)(=O)=O 1301355502 YGGGHMGBLHXPLL-QGZVFWFLSA-N 478.644 2.192 30 10 JEEE CS(=O)(=O)N1CCC[C@@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@](F)(C#N)C1 1302478063 BTXSWRNPDQAQBI-QRWLVFNGSA-N 484.504 2.412 30 10 JEEE CC(C)[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(C#N)c1)N1CCOCC1 1302522317 DYODSOFCCYAHMO-FCHUYYIVSA-N 486.642 2.045 30 10 JEEE N#C[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccccc2OC(F)F)CCO1 1303001675 GOALZOIETOIXST-HNNXBMFYSA-N 455.425 2.304 30 10 JEEE CC(C)CNS(=O)(=O)c1ccc(CNC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1 1312412831 CBQFNSWWIFNOKX-IBGZPJMESA-N 457.556 2.250 30 10 JEEE C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 1312832709 DYFVZMGFKGXWSJ-HNNXBMFYSA-N 456.524 2.105 30 10 JEEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C)cc2)n1CCS(=O)(=O)N1CCSCC1 1358897983 JZODQHCNYYAYJW-SFHVURJKSA-N 463.629 2.002 30 10 JEEE C#CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)OC[C@@H]2C1 1358913495 OXEFCHIMWLKXIR-ZWKOTPCHSA-N 474.562 2.031 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@]1(N(C)C)CCSC1)[C@@H]1CCS(=O)(=O)C1 1358959920 SEXOPEZDWLENCI-AUSIDOKSSA-N 489.667 2.018 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1CCCc1c[nH]nc1C)[C@H]1CCS(=O)(=O)C1 1358965147 OSFLUZBVFFZORY-QFIPXVFZSA-N 466.611 2.468 30 10 JEEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1C[C@@H](C)N1CCN(c2ccccc2)CC1 1358982281 QHMSBZYNMHGDJO-XMMPIXPASA-N 470.625 2.423 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2cccnc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1359017418 DSAGOQASVOAYRV-NRFANRHFSA-N 482.585 2.324 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H]2CC[C@](C)(CC)O2)CC1 1359042178 VSAPFNOXGCVGCL-YNJKOYDBSA-N 473.618 2.244 30 10 JEEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1359051255 QQMXJCMRPWVIHB-IBGZPJMESA-N 496.680 2.119 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1359291925 DWGPNWWNUYJRSY-WIYYLYMNSA-N 483.548 2.270 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC(C)=C(Br)C2)nnc1[C@@]1(OCC)CCOC1 1359305488 DTZMJAQLORCEEW-LJQANCHMSA-N 454.369 2.111 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC2(O)CCCC2)C1 1359315467 VNLRKZWXLSTJJG-LJQANCHMSA-N 475.615 2.282 30 10 JEEE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCc2ccco2)C1 1359357419 FYNLJQQOGHFXND-IBGZPJMESA-N 461.526 2.031 30 10 JEEE CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H](CC)N1CCCC1 1497382344 BTDYGJIWRANBOJ-CTNGQTDRSA-N 451.575 2.318 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H](OC)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1507625507 JWYWBSSFYLIQKO-MSYCTHLASA-N 482.647 2.007 30 10 JEEE C#CCN(c1nnc(-c2c[nH]c3ccccc23)n1CCN(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1507630747 GVEOWXGCOZBXAZ-SFHVURJKSA-N 454.600 2.393 30 10 JEEE C#CCN(CC)c1nnc([C@H](C)Oc2ccccc2F)n1CCS(=O)(=O)N1CCSCC1 1507678795 MLXZDNZHGDVGAH-KRWDZBQOSA-N 481.619 2.395 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CCCCS1(=O)=O 1507714777 WAYIUHLJLJAJJQ-IPMKNSEASA-N 452.621 2.250 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)ccc3Br)n2CC2(O)CCC2)CC1 1507718453 PNBSDFVJDVWTGS-UHFFFAOYSA-N 460.376 2.386 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccccc2OC)nnc1N1CCN(C(=O)NC)CC1 1507804353 KMGBAPDBBXDTOM-SIKLNZKXSA-N 454.575 2.320 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](Cc2ccccc2)C1 1507844744 ONTPNIGUQKKXLK-NHCUHLMSSA-N 460.600 2.221 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(N(C)C)CCOCC1 1508033542 NQCHBWPJTPIXOD-IBGZPJMESA-N 477.631 2.119 30 10 JEEE C=CCS(=O)(=O)CCn1c(N(C)CCN2CCN(c3ccccc3)CC2)nnc1C(C)(C)C 1508147796 CCWVGIRYWIDZDQ-UHFFFAOYSA-N 474.675 2.435 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1Cc1nnc(C)s1)[C@H]1CCS(=O)(=O)C1 1539202855 LQGJPAGOMXAKLQ-PBHICJAKSA-N 490.586 2.392 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(Br)c3)n2CCOCCN(C)C)CC1 1539434944 YPOJFRJXEPGFPS-UHFFFAOYSA-N 461.408 2.041 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@]2(N(C)C)CCSC2)CC1 1539438525 ZYNIZDUHQZIQJT-QFIPXVFZSA-N 455.588 2.046 30 10 JEEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2CCOc2ncccc2F)CC1 1539454597 UNCUNLVYIJXMLD-UHFFFAOYSA-N 464.545 2.440 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)CCCS(C)(=O)=O 1539630202 ZLGQDSRURRIWRZ-JXFKEZNVSA-N 486.598 2.446 30 10 JEEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1539706299 FYWXDFKVBLADFY-MOPGFXCFSA-N 473.578 2.474 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(COC)cc2)CC1 1539890639 RDDHSQRBNGLGQJ-NRFANRHFSA-N 475.615 2.208 30 10 JEEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC(C(=O)NCCC)CC1 1540872077 BPOBNZFNYSGYSB-UHFFFAOYSA-N 460.529 2.192 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1540875148 CKXSMISZSTUPMG-INIZCTEOSA-N 474.537 2.402 30 10 JEEE CC(=O)NCC(=O)N1CCC2(CC1)C[C@@H](C(=O)NC1CC1)N(c1ccc(C#N)c(C(F)(F)F)c1)C2 1548382065 XEKNHXXQADUPSJ-FQEVSTJZSA-N 491.514 2.179 30 10 JEEE CN(C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1)c1ccco1 1552748891 FBGYRWAMKRSHDS-RTBURBONSA-N 454.556 2.336 30 10 JEEE COc1cc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCC(=O)NC(C)C)cc(OC)c1OC 1554739758 DVNKMNMVDZPUPM-JOCHJYFZSA-N 460.510 2.328 30 10 JEEE Cc1nn(C)c(N2CCN(C(=O)[C@@H]3CCCN(C(=O)Nc4ccccc4F)C3)CC2)c1C#N 1556216679 BOQJCZLLFIFNAQ-QGZVFWFLSA-N 453.522 2.332 30 10 JEEE C#CCN(C(=O)Nc1nnn(Cc2ccc(C(F)(F)F)cc2)c1C)[C@@H]1CCS(=O)(=O)C1 1562791532 GCVYBPWZKAEBQC-MRXNPFEDSA-N 455.462 2.308 30 10 JEEE C=CCOc1ccc(C(=O)N2CCN(C(=O)c3cccc(S(C)(=O)=O)c3)CC2)cc1OC 1565792403 AOWVAAQVWGVRTE-UHFFFAOYSA-N 458.536 2.262 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCc1nnc(C)s1 1587579823 KIFGVEJCOVOOSP-AWEZNQCLSA-N 459.601 2.056 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN(C)C(=O)OC(C)(C)C 1587600303 XAVXQGFEKPMOPQ-MRXNPFEDSA-N 451.535 2.246 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H](OC)c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1588065455 YWBBCSRNEREYGP-FCHUYYIVSA-N 483.569 2.417 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)c(Br)c1 1588138746 INBXJVHRKISLTN-INIZCTEOSA-N 477.384 2.072 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1nccn1C(F)F 1588473771 UMKADJUJRZWHLO-AWEZNQCLSA-N 481.504 2.307 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CC1(N2CCC(OC)CC2)CCCC1 1588558921 BNASZWVIJSBFIB-UHFFFAOYSA-N 472.634 2.024 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2cccnc2OCC(F)(F)F)CC1 1588929441 AGCDTZLZJKCWJQ-GOSISDBHSA-N 492.502 2.132 30 10 JEEE C=CC1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1594182010 RBHFLKAAMUAGPN-UHFFFAOYSA-N 487.626 2.489 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)NC)CC1)C(C)C 1595171356 UWUXOPNWOFNYSA-SFTDATJTSA-N 459.639 2.332 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1595490147 NSNHOQJHRQPLDO-XOBRGWDASA-N 479.379 2.112 30 10 JEEE C#C[C@H](NC(=O)c1cccc(S(=O)(=O)NCCOC)c1)c1ccc(Br)cc1 1628542819 KBGAZDSZYVLETD-SFHVURJKSA-N 451.342 2.478 30 10 JEEE C=C[C@@H]1OCCC[C@H]1NS(=O)(=O)c1ccc(I)c(C(=O)OC)c1 1669318108 SBDCMXQZHMEWCH-KGLIPLIRSA-N 451.282 2.090 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCCSC2)c1 1689868538 JNDMDOHJPJHSEX-FUHWJXTLSA-N 490.655 2.088 30 10 JEEE C#CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1689914765 CGRBIENZQLEEHA-SFHVURJKSA-N 492.671 2.364 30 10 JEEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1689929602 AASVDMFNOFDANJ-FQEVSTJZSA-N 450.591 2.218 30 10 JEEE C#CCN(c1nnc(C)n1Cc1ccc(COCC(F)(F)F)cc1)[C@H]1CCS(=O)(=O)C1 1689980503 SUHADNMDAHGHTF-SFHVURJKSA-N 456.490 2.340 30 10 JEEE C#CCN(c1nnc(-c2cccc3cccnc23)n1CCC(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 1689984478 QCJSIZMLAVEZHO-LJQANCHMSA-N 480.594 2.035 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1Cc1ccc(-n2ccnc2C)nc1)[C@@H]1CCS(=O)(=O)C1 1689992777 OUEWRRCEIZKPCM-HXUWFJFHSA-N 467.599 2.041 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1CC1CCN(C(=O)OC)CC1)[C@H]1CCS(=O)(=O)C1 1689994049 PVFABXIKEULSQN-IBGZPJMESA-N 491.639 2.036 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@H](OC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1689997015 UIQWKLINYXIOLQ-CTNGQTDRSA-N 471.583 2.026 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc3ccccc3o2)n1C[C@H]1CCCN1S(C)(=O)=O 1690095907 HQSWIXGBQMWWFE-GOSISDBHSA-N 457.556 2.201 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCC(=O)NC(C)(C)C)CC1 1690145985 CGYBWSABPNVDSR-OAQYLSRUSA-N 494.596 2.061 30 10 JEEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(OC)c(OC)c1 1690219300 BALKBHUJEMIIMI-CYBMUJFWSA-N 488.408 2.451 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Br)cc2)nnc1N1CCN(C(C)C)CC1 1690675816 GLRZXDJHAXGBCJ-UHFFFAOYSA-N 477.407 2.452 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1690725400 ORFOMACNSKDWJA-UHFFFAOYSA-N 495.584 2.202 30 10 JEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1705526665 NTPQQZLNERLZAB-CVEARBPZSA-N 452.602 2.020 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCc1ccncc1)[C@H]1CCS(=O)(=O)C1 1705560487 HMPAIDJGCLQGAJ-FQEVSTJZSA-N 451.552 2.218 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1CCCn1nc(C)cc1C)[C@@H]1CCS(=O)(=O)C1 1705570320 OQGUFESILBIUPO-HXUWFJFHSA-N 472.640 2.461 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1ccc(C)cc1F)[C@@H]1CCS(=O)(=O)C1 1705571110 WUXGPEDYWGEJMK-HXUWFJFHSA-N 453.543 2.386 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2CC2(COC)CCOCC2)CC1 1705646969 VJALDHRPRPMUOO-UHFFFAOYSA-N 481.597 2.363 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccnc(OCC2CC2)c1 1705668791 TXHOKGAERWGCSW-OPAMFIHVSA-N 458.588 2.113 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1705708403 BVFXGXLDDZXBLE-SSPYTLHUSA-N 480.569 2.051 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(N(C)C)CCCCC1 1705717356 IKZPOGAAKXOMHH-LJQANCHMSA-N 468.668 2.278 30 10 JEEE C=C(Cl)Cn1c(N2CCCN(CC(=O)N(CC)CC)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1705761080 ZRGDGZBMMOSNLO-HSZRJFAPSA-N 483.057 2.452 30 10 JEEE C=CCC(C)(C)Cn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1705789737 VLNVSFCBKPCYMA-INIZCTEOSA-N 478.619 2.374 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)CC 1705864671 JDPCCJMAKLKMOU-KNQAVFIVSA-N 481.594 2.104 30 10 JEEE CCN1CCN(CCCn2c(-c3cccc(Br)c3)nnc2N2CCO[C@H](C#N)C2)CC1 1710298229 CWXGYPOSINPJDW-HXUWFJFHSA-N 488.434 2.464 30 10 JEEE CCn1nc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H](OC)C(C)(C)C)c2ccccc2c1=O 1710303888 FWYGYOORLLAEOZ-QFBILLFUSA-N 465.558 2.465 30 10 JEEE N#C[C@@H]1CN(c2nnc(-c3cc(F)ccc3Br)n2C[C@H]2CCS(=O)(=O)C2)CCO1 1712882548 DEXFKFVYEMKMID-TZMCWYRMSA-N 484.351 2.010 30 10 JEEE C#CCCCCn1c(-c2cnccn2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 1722314044 HGBYJZYNKXCDRE-SFTDATJTSA-N 464.618 2.356 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1Cc1cnccc1OC)[C@@H]1CCS(=O)(=O)C1 1722361694 IZTKKUNNNHFYNS-GOSISDBHSA-N 467.551 2.032 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Cl)n1C[C@@H]1CCCCS1(=O)=O)[C@@H]1CCS(=O)(=O)C1 1722364107 XITJEDIOCHOHSE-SJORKVTESA-N 497.042 2.193 30 10 JEEE C#CCN(c1nnc(C2CCC2)n1CC(C)(C)N1CCC(OC)CC1)[C@@H]1CCS(=O)(=O)C1 1722369075 VGPMYULLFRJMLV-LJQANCHMSA-N 463.648 2.062 30 10 JEEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1CC1([S@@](C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1722370309 BICVIPQPXKINOY-AYLZSAKASA-N 490.651 2.012 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(Br)cc1 1722429431 QZYDVQYSJAGBQE-QGZVFWFLSA-N 481.416 2.271 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCN1CCOC[C@@H]1C 1722430696 HYHZVOZVOZZUMR-IBGZPJMESA-N 463.586 2.416 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2C[C@H]2CCOC[C@@H]2OC)CC1 1722449620 WHAOWAHCLUGCIJ-IRLDBZIGSA-N 469.561 2.025 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 1722696754 AQZVKSWFPAAYIP-UHFFFAOYSA-N 465.945 2.145 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2nc(C(F)(F)F)cs2)C1 1722710792 OLBAWKPAWXPKBG-NWDGAFQWSA-N 480.538 2.193 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1c1ccccc1C 1722724050 LTNYVNGYIJXAFD-MJGOQNOKSA-N 481.644 2.139 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCOc2ccccc2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1722730030 GEQQUGAHZREXQG-MZLICYQSSA-N 490.626 2.273 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1722730128 JMCZZHUCMREDLQ-FQEVSTJZSA-N 496.655 2.170 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Br)cc2)nnc1N(C)CC(=O)NC(C)C 1722751793 VNRINPDJWKEVBK-UHFFFAOYSA-N 484.420 2.269 30 10 JEEE CC(C)(C)c1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CCCn1cc(CO)nn1 1722908732 DERBCVVBISWBHT-UHFFFAOYSA-N 463.590 2.338 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)N1CCN(c2ccccc2)CC1 1723808694 CHCBZCZEIOIAIM-LEWJYISDSA-N 464.618 2.463 30 10 JEEE CCCN1CCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(OCC(N)=O)CC1 1728157345 FGDTZGZTMAYLTL-FQEVSTJZSA-N 451.575 2.162 30 10 JEEE CCOCc1nnc(N2CCN(c3ccccc3C#N)CC2)n1Cc1ccc(OC)nc1OC 1729068060 AQBHEHGYESXXMS-UHFFFAOYSA-N 463.542 2.473 30 10 JEEE N#Cc1ccc(OCc2nnc(N3CCC(OCC(N)=O)CC3)n2C[C@@H]2CCCSC2)cc1 1731181596 CUNSBYOYGMVKOV-SFHVURJKSA-N 470.599 2.343 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC2CCCC2)cc1 1740553428 RZLVCLODLYPTCE-PGRDOPGGSA-N 487.626 2.439 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H](OC)c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1740620658 GGUQBHHJLWOPEA-QUCCMNQESA-N 457.531 2.427 30 10 JEEE C#CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CC(F)(F)CO1 1740679918 MQSUROBMLSFKMS-INIZCTEOSA-N 482.557 2.057 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2ccc(OC(F)(F)F)cc2)CC1 1740694485 LBXSSHIQNHWUER-GOSISDBHSA-N 462.476 2.126 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@H]2NC(=O)CC2(C)C)CC1 1740707433 BSVUQFIADJLNAR-JOCHJYFZSA-N 492.624 2.354 30 10 JEEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@]2(CC=CCC2)C1 1740716953 FILBCKZCXKPPFL-UGKGYDQZSA-N 479.672 2.304 30 10 JEEE C#CCSCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1740718429 OICDJIRSZJVVCQ-IPMKNSEASA-N 488.658 2.474 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N(C)CC(=O)N(C)[C@H](C)c1ccccc1 1740959068 ZHNRITGPZXSKEQ-UYAOXDASSA-N 454.575 2.130 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC(C)C 1740968854 GQLMWJKHVWCHFF-HXUWFJFHSA-N 463.604 2.316 30 10 JEEE CC(=O)N1CC[C@H](CN(C)c2nnc(COc3ccc(C#N)cc3)n2CCN2CCOC(C)(C)C2)C1 1741030299 CYYLGJPBRROHDG-JOCHJYFZSA-N 495.628 2.144 30 10 JEEE C#CCCCCn1c(COc2ccc(F)cc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1748726375 FITINBIXYBDAIH-UHFFFAOYSA-N 451.506 2.386 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1CCc1ccc(NC(C)=O)cc1)[C@H]1CCS(=O)(=O)C1 1748812685 ZBUIOYSVELWXEO-NRFANRHFSA-N 478.578 2.168 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1CN(C(=O)OC(C)(C)C)C1 1748842305 KFXOFVNYIFHQBP-UHFFFAOYSA-N 487.564 2.132 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)N1CCc2ccccc2C1 1749054262 QQNSCJDHADEBQQ-AXHZCLLHSA-N 470.643 2.327 30 10 JEEE C=C(C)COCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(N2CCNC2=O)CC1 1749240413 YWMRCQJSPNGDNS-UHFFFAOYSA-N 465.558 2.315 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCN(c2ccccn2)CC1 1749651889 BCZNWPYXSNQFRE-UHFFFAOYSA-N 485.390 2.070 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCC[C@H](NC(=O)CC)C1 1749730079 YXOWKHVSXQMZPR-KRWDZBQOSA-N 461.588 2.050 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2cnccn2)n1C[C@H]1CCOC[C@@H]1OC 1749806213 HYEALDLZDFADOX-IRLDBZIGSA-N 463.542 2.311 30 10 JEEE Cc1cccc(-c2nnc(N3CCC(C#N)CC3)n2CCNS(=O)(=O)c2ccccc2)n1 1751617840 GETIPDFEXVZDJH-UHFFFAOYSA-N 451.556 2.367 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1760122304 JBUNPQHMCJOKDH-WIYYLYMNSA-N 478.622 2.342 30 10 JEEE C#CCCCn1c(-c2cccn2C)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1760151959 SLBUKFAAVIFFHB-SFTDATJTSA-N 451.619 2.324 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)ccc3Br)n2C[C@H](COC)OC)CC1 1760254904 PDKFWRVAFOLJEH-QGZVFWFLSA-N 478.391 2.133 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H](C(CC)CC)N2CCOCC2)CC1 1760259707 PDSKEQPDFAYFKN-GOTSBHOMSA-N 458.651 2.064 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2c(CC)noc2C)CC1 1760265092 NRBGABSVCHGXLX-UHFFFAOYSA-N 469.590 2.069 30 10 JEEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1760277466 LSMSTLOWXYDLDM-UHFFFAOYSA-N 472.640 2.433 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 1760374063 HRRVYIDPTSEULK-BHIYHBOVSA-N 451.015 2.351 30 10 JEEE C=CCN(CC=C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H](C)N1CCOCC1 1760495890 ZCECCLTWGFZVOP-HXUWFJFHSA-N 452.607 2.351 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccccc1N1CCCC1 1760514395 DMRQUVJNGASDOA-UHFFFAOYSA-N 451.575 2.053 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C)O[C@H](c2ccccc2)C1 1760515568 YAWSGYJWXCYEQY-MJGOQNOKSA-N 461.526 2.194 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1760517426 LWVCWTNTGBTIBR-WBMJQRKESA-N 493.337 2.084 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1760527609 CADLPYOOLJVZTN-UQBPGWFLSA-N 469.586 2.496 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCN(C)c2ccccc2C1 1760556789 QCGACCOIXHHWPO-UHFFFAOYSA-N 452.584 2.321 30 10 JEEE Cc1nn(C)c(N2CCN(c3nnc(CC(C)(C)C)n3C[C@H]3CN(CC(C)C)CCO3)CC2)c1C#N 1762402649 DRUSJGPDQLGQOM-OAQYLSRUSA-N 497.692 2.464 30 10 JEEE CCN(CC)c1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)cn1 1764938127 DVDUDNKQNKQZRL-IBGZPJMESA-N 457.604 2.210 30 10 JEEE CCn1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](CN(C)S(C)(=O)=O)C2)cn1 1766954060 DVSSXIZZGRENCA-LJQANCHMSA-N 482.614 2.189 30 10 JEEE CC(=O)N1CCCc2cc(S(=O)(=O)N3CC[C@H](NC(=O)c4cccc(C#N)c4)C3)ccc21 1858329558 JUFYDUTUYUFIDW-FQEVSTJZSA-N 452.536 2.050 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)[C@@H](C)Oc3cccnc3NC(=O)NCCN(C)C)cc21 1858807050 JOSBOHWNCJWHOI-MRXNPFEDSA-N 467.526 2.326 30 10 JEEE N#Cc1cccc(C(=O)Nc2cccc(C(=O)N3CCN(c4ccc([N+](=O)[O-])cn4)CC3)n2)c1 1860581705 YHFSXTAAOHDHRB-UHFFFAOYSA-N 457.450 2.471 30 10 JEEE C=CCOc1ccccc1[C@H]1C(C(=O)N(C)Cc2ccccc2)=C(N)Oc2c1c(=O)n(C)c(=O)n2C 1865728743 IMJBWZOBYPCRNW-FQEVSTJZSA-N 488.544 2.002 30 10 JEEE Cc1ccc([C@@H](C#N)NC(=O)[C@@H](CO)NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccccc2)C3=O)cc1 1867622907 FBZHNJDCPWWFKA-DNQXCXABSA-N 496.523 2.263 30 10 JEEE CCc1ccccc1-n1nnc(C#N)c1NC(=O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1870155584 UWLMLDVFFORELB-UHFFFAOYSA-N 459.422 2.234 30 10 JEEE C=CCn1cc(OCC(=O)Nc2nc(C)c(C(=O)OC)s2)c(=O)cc1CN1C[C@H](C)O[C@H](C)C1 1870585822 GOMUYQNNMPVPDT-GASCZTMLSA-N 490.582 2.213 30 10 JEEE CCCOC(=O)CSc1nnc(CCOC)n1/N=C/c1cc(OC)c(OC)cc1OC 1874474453 DLNKCXRRVNVUHW-CIAFOILYSA-N 452.533 2.420 30 10 JEEE C=C(I)C[S@](=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)O 1883745036 VDEXTMMECFVRMB-JCQPUDPBSA-N 451.282 2.454 30 10 JEEE N#Cc1nccnc1OCC1CCN(C(=O)c2c(Br)cnc3nccnc23)CC1 1891503650 VNIOMOGDFWHZGL-UHFFFAOYSA-N 454.288 2.380 30 10 JEEE CC1=C(CO)C(=O)O[C@@H]([C@@H](CO)[C@@H]2CC[C@H]3[C@@H]4C[C@H](O)[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1 2037504646 UCOUIXCKSZUAKU-VJAJNUAFSA-N 488.621 2.309 30 10 JEEE CC(C)SC[C@@H](NC(=O)OC(C)(C)C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2256595989 SCBZDOUNABUXMG-GFCCVEGCSA-N 472.442 2.233 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)s1 2256617592 KNVNRYKHKKIUGW-HIFRSBDPSA-N 452.382 2.034 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@](F)(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2267139346 FLPOZLMZACNQSR-KIFPSNHUSA-N 452.336 2.082 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H]1CNS(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2267377058 BGFCBTLKYHKJAQ-CVEARBPZSA-N 466.409 2.425 30 10 JEEE CC[C@@](C)(CNC(=O)OC(C)(C)C)N(C)C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2267493325 YVRKWGQHFTYJAR-QFIPXVFZSA-N 450.389 2.485 30 10 JEEE CCn1cc(C(=O)NC[C@@H](C)CN(C)C(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2267498835 WPQFDIGPSHPISP-OAHLLOKOSA-N 450.389 2.435 30 10 JEEE CO[C@@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)oc2C)C[C@H]1NC(=O)OC(C)(C)C 2267501935 FXEQFBNEORQRKO-HZPDHXFCSA-N 450.341 2.251 30 10 JEEE CC(C)(C)OC(=O)N1CC2(CCN2S(=O)(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267718006 MRKFJWGOIJVIRE-UHFFFAOYSA-N 464.393 2.370 30 10 JEEE CC(C)(C)OC(=O)N1CC(CO)(NC(=O)c2cccc(Cl)c2B2OC(C)(C)C(C)(C)O2)C1 2267914995 NRNSSHUGEVMJIT-UHFFFAOYSA-N 466.771 2.351 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)Nc1ccc(F)c(F)c1B1OC(C)(C)C(C)(C)O1 2268653868 SEYSHOAEKSOJOJ-MEDUHNTESA-N 456.295 2.477 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)Nc1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2268657534 IXNJFJDBVTXAIN-RHSMWYFYSA-N 450.316 2.434 30 10 JEEE CC(C)(C)OC(=O)NC1(C(=O)Nc2ccc(F)cc2B2OC(C)(C)C(C)(C)O2)CC(O)C1 2268712342 SSAUDUNFELRBTR-UHFFFAOYSA-N 450.316 2.482 30 10 JEEE CC(C)(C)OC(=O)N(CC(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1)[C@H]1CCOC1 2272552538 KCWDGDLDENXNKR-AWEZNQCLSA-N 467.397 2.085 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](O)CN1C(=O)c1cccc(F)c1B1OC(C)(C)C(C)(C)O1 2281782528 XSGHJQAWBRUROK-HUUCEWRRSA-N 464.343 2.225 30 10 JEEE Cc1cnc(C(=O)N2CCOC[C@@H]2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2281954587 BVAXVUFYPIMANM-INIZCTEOSA-N 461.368 2.055 30 10 JEEE C[C@H]1CC[C@@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2281981198 MQJMKSMKNDSHCO-HOTGVXAUSA-N 462.400 2.485 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2Cl)[C@@H](CO)C1 2281997338 AFFOQEOBJALUNT-OAHLLOKOSA-N 481.786 2.088 30 10 JEEE Cn1cc(C(=O)NC[C@]2(F)CCCN(C(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2282040159 FTUAZDPNBRTWEC-JOCHJYFZSA-N 466.363 2.188 30 10 JEEE Cn1cc(C(=O)N2C[C@H]3C[C@@H](NC(=O)OC(C)(C)C)C[C@H]2C3)nc1B1OC(C)(C)C(C)(C)O1 2282050970 FDLXYPMNYAYXMH-ARFHVFGLSA-N 460.384 2.237 30 10 JEEE Cn1cc(C(=O)NC[C@@H]2CCCCN(C(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2282051356 HJCFVXMYCPTRBT-INIZCTEOSA-N 462.400 2.486 30 10 JEEE Cc1c(B2OC(C)(C)C(C)(C)O2)cccc1C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O 2282121769 UQLGXFDWPMOQDK-RTBURBONSA-N 460.380 2.394 30 10 JEEE C[C@@H](NC(=O)c1cc(F)ccc1B1OC(C)(C)C(C)(C)O1)C1(O)CN(C(=O)OC(C)(C)C)C1 2282131537 VFIOFWHVIXLTKB-CQSZACIVSA-N 464.343 2.225 30 10 JEEE CO[C@@H]1CN(C(=O)c2cc(F)ccc2B2OC(C)(C)C(C)(C)O2)C[C@H]1NC(=O)OC(C)(C)C 2282141706 JVVNZKWJIZTSEW-QZTJIDSGSA-N 464.343 2.489 30 10 JEEE CN(C[C@@H]1COCCN1C(=O)OC(C)(C)C)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2282172748 AEQBEMXYLYBWTA-QGZVFWFLSA-N 461.368 2.089 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)CC(F)(F)F 2282172792 AURFPJBBSAGZRH-LBPRGKRZSA-N 474.289 2.351 30 10 JEEE CC(C)[C@@H](C)[C@H](CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)NC(=O)OC(C)(C)C 2282178808 IVVOERYWXHIAQK-CABCVRRESA-N 465.404 2.030 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCC23CC(CNC(=O)OC(C)(C)C)C3)n1 2282529666 JTZLZEJUAWIWIN-UHFFFAOYSA-N 460.384 2.239 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](CNC(=O)c3ncc(B4OC(C)(C)C(C)(C)O4)cc3F)[C@H]2C1 2282536486 CVYBJMKYUCPZDJ-MUJYYYPQSA-N 461.343 2.363 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@H]3CN(Cc4ccccc4)C[C@H]3C2)n1 2282546325 VBPYVZZRFSBWFH-PMACEKPBSA-N 450.392 2.313 30 10 JEEE Cc1c(C(=O)N2C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]2C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282554509 FKJLSZDJKUVWPM-LSDHHAIUSA-N 462.400 2.498 30 10 JEEE Cn1cc(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 2282554553 FXMYIZVWABPVAW-IQMFZBJNSA-N 460.384 2.048 30 10 JEEE Cc1nn(C)c(C(=O)NC[C@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2282562991 YPBXLKYALDPFHZ-ZBFHGGJFSA-N 462.400 2.403 30 10 JEEE Cn1nc(C(=O)N[C@]23CCC[C@H]2N(C(=O)OC(C)(C)C)CC3)cc1B1OC(C)(C)C(C)(C)O1 2282623255 DDDOBHXVUAFAHK-MWTRTKDXSA-N 460.384 2.381 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1C[C@@H]2OCCN(Cc3ccccc3)[C@@H]2C1 2282683078 YDXCDOFLKPJURJ-YADHBBJMSA-N 451.376 2.050 30 10 JEEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@@H]2CCOC[C@@H]2OCc2ccccc2)OC1(C)C 2282836657 NDPSCWVNYSTJJM-MJGOQNOKSA-N 494.444 2.236 30 10 JEEE C=C(CS(=O)(=O)NCC(C)(C)N1CCN(C(=O)OC(C)(C)C)CC1)B1OC(C)(C)C(C)(C)O1 2282869754 HWOHAUAJGHEOEY-UHFFFAOYSA-N 487.472 2.425 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CC12CCC2 2283062486 SMUBJJLRHPUPSR-HNNXBMFYSA-N 458.368 2.438 30 10 JEEE CC(C)(C)OC(=O)NCc1cn(CCNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)nn1 2287195169 OBCWUEOBHPMJAG-UHFFFAOYSA-N 477.396 2.094 30 10 JEEE CCn1cc(C(=O)N2C[C@H]3C[C@]3(CNC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2288253551 YOQLYVGFMHRSOH-CMJOXMDJSA-N 460.384 2.189 30 10 JEEE CCCOc1c(C=NNc2cnn([C@H]3CCS(=O)(=O)C3)c(=O)c2Cl)cccc1OC 2322614659 MCZKQBVSMJMLHG-AWEZNQCLSA-N 454.936 2.500 30 10 JEEE CCN(CC)C(=O)CSc1nnc(CCOC)n1N=Cc1cc(OC)c(O)c(OC)c1 2331236681 UDZXCIJYNAOGJW-UHFFFAOYSA-N 451.549 2.033 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1C 2362332155 LVUITLSZVZHSAF-HNNXBMFYSA-N 462.400 2.499 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C1 2362351565 HCQOWGUIWWEZFU-JKSUJKDBSA-N 460.384 2.191 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1CCCCN(C(=O)OC(C)(C)C)C1 2362354861 WTGPJDOMIKLQGI-MRXNPFEDSA-N 462.400 2.486 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H](NC(=O)OC(C)(C)C)C3(CC3)C2)n1C 2362488384 VWPWPJZCRFSDOG-HNNXBMFYSA-N 460.384 2.157 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](C(=O)N2CC[C@H](B3OC(C)(C)C(C)(C)O3)C2)S(=O)(=O)C(C)(C)C1 2368345464 JFVUDNQXQYCMHK-HOTGVXAUSA-N 486.440 2.494 30 10 JEEE C=CCOC(=O)CCN1C(=O)/C(=C2/SC(=S)N(CCC(=O)OCC=C)C2=O)SC1=S 33919086 MOPLANLKFDKOHQ-YPKPFQOOSA-N 486.618 2.157 30 10 JEEE N#C[C@@H]1C(=O)Nc2nc(NCc3ccc4c(c3)OCCO4)[nH]c(=O)c2[C@@H]1c1cc([N+](=O)[O-])ccc1F 72472541 FAFLTGXUXGUABA-KBXCAEBGSA-N 492.423 2.424 30 10 JEEE N#Cc1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3c[nH]c(C(=O)N4CCCC4)c3)C2)c1 85650984 UVZUKEUDXRBSOV-KRWDZBQOSA-N 455.540 2.162 30 10 JEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C2CCN(C(=O)/C=C\c3ccccc3)CC2)CC1 97674672 IWAHRPAXNFATGC-KHPPLWFESA-N 492.601 2.343 30 10 JEEE Cc1nc2c(C)cccn2c1/C(O)=C1/C(=O)C(=O)N(CCN2CCOCC2)[C@@H]1c1cccnc1 103111062 BHSPWXDEHSAIIP-DQVIVYRFSA-N 461.522 2.100 30 10 JEEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1OC 521114223 CVHMUBXJOPFJQD-UHFFFAOYSA-N 475.523 2.453 30 10 JEEE CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2F)c(=O)n1Cc1ccccc1 557456448 IDERFHNZIVBZSO-UHFFFAOYSA-N 483.540 2.282 30 10 JEEE N#Cc1c(NC(=O)C[S@](=O)CC(=O)Nc2nnc([C@@H]3CCCO3)s2)sc2c1CCC2 586298219 JCRMTXYBOIKPLG-GTMAHKLRSA-N 465.582 2.137 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)[C@@H](C)[S@](=O)CC(=O)NCCc3ccccc3)cc21 586312926 ITUGAUIJXXPEMW-HYJWCJBQSA-N 454.548 2.277 30 10 JEEE C#CC[C@H](NC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)OCC)C(=O)O 757312217 ZFIILTBVRGGMEV-LEWJYISDSA-N 464.474 2.050 30 10 JEEE C=CCCOCCNC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1 1127725329 NKMYREMRKMOXLP-UHFFFAOYSA-N 451.589 2.020 30 10 JEEE Cn1nc(Br)c2c(=O)n(CC(=O)N3CCC[C@@H]3[C@@H](C#N)c3ccccc3)cnc21 1136915258 APLDKWZHOAKJDV-LSDHHAIUSA-N 455.316 2.191 30 10 JEEE N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)[C@@H](CO)NC(=O)OCc2ccccc2)CC1 1139787767 AXDSSNIOEQDMAG-NHCUHLMSSA-N 456.930 2.336 30 10 JEEE N#Cc1ccc(C(F)(F)F)n(CC(=O)NCC(=O)Nc2ccccc2Br)c1=O 1166721610 HUAXZXFRKDUEBU-UHFFFAOYSA-N 457.206 2.256 30 10 JEEE C[C@H]1CC[C@H](C)N1CCN1CCN(S(=O)(=O)c2cccc(Br)c2C#N)CC1 1209075777 DWCNDZZWRRCWGW-HOTGVXAUSA-N 455.422 2.500 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)N(C2CCCCC2)[C@@H]2CCS(=O)(=O)C2)ccc1F 1264546450 TXRZVHQZGLHMDM-QGZVFWFLSA-N 458.577 2.252 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCO[C@H](C)c1ccccc1 1286294840 FUCGTKLYIRSAHC-ZVDOUQERSA-N 475.615 2.237 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCC[C@]3(CCOC3)O2)c1 1286308680 LPYOEXTYFNANGU-HFZDXXHNSA-N 494.596 2.201 30 10 JEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1286338732 DMTVCVOUBSIDHP-OAQYLSRUSA-N 498.653 2.351 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@]1(O)CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1286387796 IIWATWAUWSJJJR-HZUJVAHNSA-N 463.991 2.171 30 10 JEEE C#CCN(c1nnc(CCOc2ccccc2)n1C[C@H]1CCC=CO1)[C@@H]1CCS(=O)(=O)C1 1286394689 WHVDVFYBRVGSIV-TZIWHRDSSA-N 456.568 2.219 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CCc2csc(CC)n2)CC1 1286491191 IMGBTLBSBAUFMM-UHFFFAOYSA-N 463.611 2.491 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCCS2)CC1 1286493267 UBABSEISLKCLBH-QGZVFWFLSA-N 472.640 2.131 30 10 JEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(Cc2ccc(F)cc2)CC1 1286505374 YKALBUUPQIXZAO-HXUWFJFHSA-N 456.591 2.447 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](NC(C)=O)C1 1286545717 ALZVABYVFAEYHA-NSHGMRRFSA-N 453.547 2.012 30 10 JEEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](N2CCCC2=O)C1 1286667482 KHLBIUKQMCDVAV-IRXDYDNUSA-N 452.625 2.082 30 10 JEEE C=CCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC[C@@H](NC(=O)CC)C2)cc1 1286797041 QILKHFHGPOMKLP-UYAOXDASSA-N 452.559 2.337 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCNC(=O)c2cccc(C)c2)C1 1286798616 MCORGBRVLQQKSB-HXUWFJFHSA-N 452.559 2.034 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1286815891 GNAFNLWNWUPZHO-KRWDZBQOSA-N 498.024 2.497 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1C[C@H](C)O[C@@H](CC)C1 1286817969 ZTUIEBPTXZUXAP-WMZOPIPTSA-N 462.572 2.321 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCC(C)(F)F 1288861779 DLZDMUXMKHMFRK-HNNXBMFYSA-N 467.546 2.132 30 10 JEEE CCN(CC)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCCO2)CC1 1295335907 HNBKZIXPCXOORW-QFIPXVFZSA-N 465.602 2.376 30 10 JEEE CCS(=O)(=O)N(C)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cccn2)CC1 1297717870 DZMMPNKOIAKXQA-UHFFFAOYSA-N 482.614 2.354 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CCNS(=O)(=O)c1ccccc1 1300275795 AARCDFKFWZWVNU-AWEZNQCLSA-N 477.388 2.472 30 10 JEEE C#CCCCCn1c(Cc2ccncc2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1300367830 JZJWXIMRZPCYRV-XMMPIXPASA-N 457.582 2.416 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCCN(C)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1300489063 ZUHCPZBMTDYPCQ-QGZVFWFLSA-N 476.603 2.157 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1ccc(F)c(COC)c1)[C@H]1CCS(=O)(=O)C1 1300498942 OGUCJXCNIAMQKJ-NRFANRHFSA-N 483.569 2.224 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H](C)Oc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1300503530 DBIHZRNMDPEGME-LVCYWYKZSA-N 474.583 2.232 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(OC)ccc2Br)n1C[C@@]1(O)CCN(C)C1 1300561344 OHHXSZCQKXBYNX-JOCHJYFZSA-N 472.387 2.246 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(Cl)cc2)nnc1N1CCN(C(C)=O)C[C@H]1C 1301593926 XVNMNVFSPCATSQ-MRXNPFEDSA-N 482.006 2.168 30 10 JEEE CN(CCNC(=O)C1CCN(S(=O)(=O)c2cccc(F)c2C#N)CC1)Cc1ccccc1 1309248742 CMNNLLZUEFYHKD-UHFFFAOYSA-N 458.559 2.346 30 10 JEEE CCSc1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@@H](C(=O)NC)C2)ccn1 1314584172 APDGJFARMCZNGJ-LJQANCHMSA-N 463.567 2.323 30 10 JEEE CO[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1)C(C)C 1315193275 AOHNEYSCRFLUEH-LEWJYISDSA-N 472.615 2.492 30 10 JEEE N#C[C@@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCOc2cccc(C(F)(F)F)n2)C1 1316531236 HZYIOJNNUUGAHH-ACJLOTCBSA-N 488.467 2.115 30 10 JEEE C#CCN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC1(O)CCS(=O)(=O)CC1 1358939324 UTVRIVCOYHVGIX-OAHLLOKOSA-N 452.964 2.081 30 10 JEEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1c(C)coc1C)[C@H]1CCS(=O)(=O)C1 1358957150 QICQEDIUXSPKMN-WMZHIEFXSA-N 476.599 2.204 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1CCNC(=O)c1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1358957662 YAWSJZNCBRDIMW-QUCCMNQESA-N 457.600 2.157 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CC1(N(C)C)CCCCC1)[C@H]1CCS(=O)(=O)C1 1358964928 KFTRKEBSOZIHOM-NRFANRHFSA-N 470.643 2.155 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1csc(C)c1)[C@H]1CCS(=O)(=O)C1 1358966750 VZIMFCTZQRVOIO-IBGZPJMESA-N 458.613 2.185 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(=O)N[C@@H](C)CC 1358994150 GHJCKKPRAQFHAE-PMACEKPBSA-N 486.617 2.354 30 10 JEEE C#CCN1CCN(c2nnc(-c3noc4c3COCC4)n2CCN(CC)C(=O)OC(C)(C)C)CC1 1359034178 GRIHUWKTGUXQTN-UHFFFAOYSA-N 485.589 2.018 30 10 JEEE C=C(Cl)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CCCOc1ccc(S(C)(=O)=O)cc1 1359149582 CXTHZZHQZRDVSV-QGZVFWFLSA-N 467.979 2.291 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1359305191 VVTBCMDCZDCQTH-INIZCTEOSA-N 482.507 2.241 30 10 JEEE C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(=O)OCc1ccccc1 1437208425 CDXQNSJXKPQOMB-KRWDZBQOSA-N 455.536 2.207 30 10 JEEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(NS(=O)(=O)CCC)cc2F)cc1 1449751611 KTLMCLBDXRNPOC-UHFFFAOYSA-N 453.517 2.141 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1CCSC1)[C@@H]1CCS(=O)(=O)C1 1507628056 MVOVAQNUOGISDU-FUHWJXTLSA-N 476.624 2.342 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1Cc1cccc(CN(C)C)c1)[C@H]1CCS(=O)(=O)C1 1507630134 UFECTFCLSCVYIU-NRFANRHFSA-N 466.611 2.020 30 10 JEEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCCc1cnn(C)n1 1507653364 NHHUTGHGKAZXBA-UHFFFAOYSA-N 466.590 2.227 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(COC)CCOCC1 1507687239 LODIRMKLEASFBO-UHFFFAOYSA-N 450.543 2.095 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2C[C@@]2(O)CCN(C)C2)CC1 1507736862 UOAUEVCYOGRJRH-JIPXPUAJSA-N 494.640 2.067 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](CC)NC(=O)OC(C)(C)C)CC1 1507739146 NKUPCLMGTVEUPQ-UXHICEINSA-N 488.633 2.441 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCSCCCO)CC1 1507741328 PUUSWYQDBHOEAA-WOJBJXKFSA-N 477.675 2.278 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1507799253 VQEBBRXWJPBQQG-OFNKIYASSA-N 468.602 2.145 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(F)ccc1N1CCOCC1 1508019662 MFDXGNJLDFXUGH-GOSISDBHSA-N 475.590 2.383 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2CCCOC2)n1C[C@@]1(N2CCOCC2)CCSC1 1508040785 AJSHEJSXUAZKMD-UGKGYDQZSA-N 451.637 2.019 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1508149421 UPKMVPXXHVIFSM-IXFSTUDKSA-N 494.589 2.370 30 10 JEEE Cc1cnn(CCn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CCO[C@H](C#N)C2)c1 1511419259 HZMVWCSCMYXXLH-RTBURBONSA-N 470.578 2.327 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CC(=O)N(C)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 1539212546 QHUWIJIUAMQDRS-IBGZPJMESA-N 473.599 2.264 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@H](C)Cc1cccs1)[C@H]1CCS(=O)(=O)C1 1539216323 QIKHQVDYPFQUPA-AEFFLSMTSA-N 458.613 2.246 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1Cc1ccc(N2CCOCC2)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1539219743 MFXIMJLXKFQGAU-HXUWFJFHSA-N 489.617 2.127 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCc2nc(C(F)(F)F)cs2)CC1 1539467565 VHEFOKQKCLMTHL-UHFFFAOYSA-N 497.547 2.100 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2CCCNC(=O)c2occc2C)CC1 1539470112 YDOKKZCOSOAJOQ-QGZVFWFLSA-N 454.575 2.479 30 10 JEEE C=C(Br)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@@H](NC(C)=O)C1 1539595197 BQYUYTCANDFEIR-GOSISDBHSA-N 489.422 2.466 30 10 JEEE C=C(C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1539684882 LAIGYMZBMZVXIA-GOSISDBHSA-N 470.549 2.404 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(CC(=O)NCC)CC1 1539760217 YFAWJLKEOXCXHH-TZIWHRDSSA-N 462.639 2.048 30 10 JEEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1539984873 BPCFOCVLDBVYPD-UHFFFAOYSA-N 481.644 2.223 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC(c3ccccc3CO)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1540876519 UJERBIOTBIDQMF-AREMUKBSSA-N 483.613 2.497 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC(N(C)c3ccccc3)CC2)nnc1[C@@]1(OCC)CCOC1 1540876605 WIFULGLEAUQVCK-RUZDIDTESA-N 468.602 2.338 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1540908005 AQUIILKJOOEJPM-VAMGGRTRSA-N 492.646 2.109 30 10 JEEE CC(C)(C)OC(=O)N1CC(OCC(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)C1 1546267712 CAZHKVRORBKHGK-UHFFFAOYSA-N 451.527 2.391 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2C[C@H](CC)OC)CC1 1588923555 DMGLBIKFODEAFS-IBGZPJMESA-N 491.596 2.066 30 10 JEEE C=CC[C@@H](Cn1c([C@H](C)CC)nnc1N1CCN(C(=O)Cn2cnnn2)CC1)c1ccccc1 1594533695 FJBNQUBMRBZVCF-CTNGQTDRSA-N 463.590 2.487 30 10 JEEE C=CCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1594760177 FMONKEQNCAIVJC-UHFFFAOYSA-N 466.586 2.367 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCC[C@@H]2[C@H]2CCCO2)nnc1[C@]1(OC(C)C)CCOC1 1595831200 NLRUNSPCKXDLTE-KNKQGSTJSA-N 468.620 2.067 30 10 JEEE CC(C)(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1)c1ccccc1F 1597772599 FNRMTLDYVMNQAR-AVRDEDQJSA-N 494.568 2.170 30 10 JEEE Cc1cccc(O[C@H](C)c2nnc(N3CC[C@](F)(C#N)C3)n2CC2(O)CCS(=O)(=O)CC2)c1C 1611824843 HBFFJQSLOUFHJV-GCJKJVERSA-N 491.589 2.417 30 10 JEEE CN(C)c1ccc(C(=O)N[C@@H]2CO[C@H]3[C@H]2OC[C@H]3Nc2nccc(-c3cccc(C#N)c3)n2)cc1 1616133373 SAEHIBYGDQRYCM-JLLPCOHGSA-N 470.533 2.458 30 10 JEEE C=CCN1CC[C@H](N(C)CC(=O)Nc2cccc(S(=O)(=O)N(C)c3ccccc3)c2)C1=O 1617561975 KYRGSGCLAKOLAQ-NRFANRHFSA-N 456.568 2.169 30 10 JEEE CC(=O)c1ccc(S(=O)(=O)NCC(=O)N[C@H](C#N)c2ccc(OC(F)(F)F)cc2)cc1 1634915132 ANBNLUIWXDCNIX-QGZVFWFLSA-N 455.414 2.447 30 10 JEEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N2C[C@H](O)C[C@H]2CO)c1 1639121431 PJBQKZYEUWVUGZ-RBUKOAKNSA-N 450.944 2.289 30 10 JEEE C#CCN(Cc1ccccc1)[C@@H](C)C(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 1645542979 HPZYJGLWAMLDFB-FQEVSTJZSA-N 455.580 2.478 30 10 JEEE Cn1ncc(Br)c1CNS(=O)(=O)c1cc(Br)c(C#N)cc1F 1656380092 IBJINYRCPFHYFP-UHFFFAOYSA-N 452.103 2.434 30 10 JEEE C=C(C)CN(Cc1ccccc1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 1661794717 PQUJXDNXMZULLH-UHFFFAOYSA-N 450.582 2.475 30 10 JEEE CC[C@@H](C#N)Oc1cccc(CNC(=O)NC[C@H](O)COc2ccc3c(c2)CCC(=O)N3)c1 1678974940 AQUQRIROBJJTTJ-OALUTQOASA-N 452.511 2.491 30 10 JEEE C#CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1689874774 AWGFDHMPLCCZAW-QHCPKHFHSA-N 454.962 2.381 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CC(C)(C)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1689978438 VPLRPLPGFUPLMM-OAHLLOKOSA-N 477.553 2.412 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCN1CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1689991787 CKSLGINXYZVHLM-NQIIRXRSSA-N 459.591 2.119 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCNC(=O)C(C)(C)C)CC1 1690134821 HBIJAFLJCLZGOW-IBGZPJMESA-N 487.649 2.268 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2Cc2ncn(C)n2)CC1 1690138091 RVIOMDRRKJEVST-IBGZPJMESA-N 476.585 2.178 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2Cc2cnn(C)c2)CC1 1690139935 FVAGNPMTYJWVPG-UHFFFAOYSA-N 491.596 2.489 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2CCN2CCN(C)C(C)(C)C2)CC1 1690142712 SGRUKTPVMOBJAE-UHFFFAOYSA-N 481.620 2.076 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1cnn(-c2ccccc2)c1 1690190399 TWMULGWKHPIDLC-FDDCHVKYSA-N 467.599 2.309 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1CCN(c2ccncc2)CC1 1690265385 NQZWBDVBEBEVER-OAQYLSRUSA-N 487.674 2.190 30 10 JEEE C=C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@](C)(O)CCOC)CC1 1690367593 UQVQYGICHCCWDQ-QFIPXVFZSA-N 463.604 2.139 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1C[C@@H]1C 1690560553 WFWUOKITAODZJL-YYWHXJBOSA-N 470.599 2.331 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@H](C(C)C)C1 1690719422 LWYMMIYSPHSNBT-SFHVURJKSA-N 456.576 2.004 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1690726804 MBTPZIJCFLOXBD-UHFFFAOYSA-N 456.572 2.147 30 10 JEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)Nc1ccc(C)cc1 1690744118 JRBBSHJXDMBYRE-KRWDZBQOSA-N 463.629 2.483 30 10 JEEE CC(C)(C)NC(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1691206370 DYNKMCRUQHWXBV-GOSISDBHSA-N 499.019 2.386 30 10 JEEE C[C@H](CN(C)C(=O)OC(C)(C)C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1 1692682261 GISSIYHMXFHBCJ-SJLPKXTDSA-N 480.635 2.423 30 10 JEEE COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)C(C)(C)C)C[C@@H](C)O1 1697888255 CALBRHNBLWYXPP-VQIMIIECSA-N 461.588 2.270 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CCCN2CCCCC2)c1 1705505256 JZKHFONXRUYKSO-NRFANRHFSA-N 463.586 2.161 30 10 JEEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCNC(=O)c1ccc(C)c(F)c1 1705552099 IFYZZYONNLIGNE-UHFFFAOYSA-N 476.560 2.399 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1C[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1705560182 FEAZANWIDDJBOL-YDHLFZDLSA-N 452.378 2.318 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCCNc1ccccn1)[C@H]1CCS(=O)(=O)C1 1705564190 AXIFVAGJPNUUPG-OALUTQOASA-N 458.588 2.044 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CCCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1705567859 BASNDWHEAOTZSP-NRFANRHFSA-N 482.610 2.387 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCc2nc(C)no2)CC1 1705646559 HTOJAVJCDSNNKX-UHFFFAOYSA-N 458.526 2.107 30 10 JEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2nc3ccccc3o2)CC1 1705651549 AXWMSYSOKXBVQG-UHFFFAOYSA-N 453.572 2.251 30 10 JEEE C=C(Br)Cn1c([C@H](C)CC)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1705680835 IEXGRTIOWAOUJE-CYBMUJFWSA-N 486.440 2.253 30 10 JEEE C=C(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1705723386 PITLQLWNSYGJFR-UHFFFAOYSA-N 476.994 2.122 30 10 JEEE C=CCCOCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1705826884 MIAVHUUPFKCVJP-GOSISDBHSA-N 456.547 2.111 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCOC[C@H]1C 1705861272 AFXNXRMQVAKFQJ-HJNYFJLDSA-N 489.642 2.476 30 10 JEEE C=CCN(CC=C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H](C)N1CCOCC1 1705870720 VWYCVXBAKPVPLJ-SFHVURJKSA-N 473.647 2.446 30 10 JEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(Cc2cc(C)on2)CC1 1705890950 RIBYFARIMYYOKC-IBGZPJMESA-N 473.578 2.391 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(N(CC)CC)CC1 1705904090 FIXYQYGWVRTJDQ-OAQYLSRUSA-N 454.575 2.403 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1705906552 IQMADXOZNPYVFB-DVECYGJZSA-N 455.559 2.160 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ccc(C)cc2C)C1 1705924481 DDJCBFBJRKUFAO-FCHUYYIVSA-N 489.642 2.252 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2ccc(Cl)cc2)C1 1705934518 ONASYDDLEYFGPD-ZWKOTPCHSA-N 479.990 2.061 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1705935833 DTQAQPLIDULKEB-LJQANCHMSA-N 483.635 2.078 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC(Cn2cc(C)cn2)CC1 1705936644 VPKZGOKACXVVOC-HXUWFJFHSA-N 462.620 2.194 30 10 JEEE C[C@@H](Oc1ccccc1F)c1nnc(N2CCC(C#N)CC2)n1CCNC(=O)c1cc[nH]n1 1706924682 BMSXGISTQFIEDD-OAHLLOKOSA-N 452.494 2.450 30 10 JEEE CCNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N2CCCCC2)CC1 1710337610 GUMFLBIYILGJSR-UHFFFAOYSA-N 464.574 2.071 30 10 JEEE C#CCN(c1nnc(C2CCC2)n1CCN(CC)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1722368304 PRYQMBKLQGICOX-GOSISDBHSA-N 465.620 2.429 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(CN2CCCCC2)cc1 1722389944 NYCBEZWMFYWJMY-NRFANRHFSA-N 482.654 2.385 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1722394811 HAAQYFHFQYCXLI-RPLLCQBOSA-N 477.609 2.294 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](C)Oc2ccccc2F)CC1 1722446920 BNNJFWWJJPEOQZ-IEBWSBKVSA-N 455.534 2.354 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1722519707 PNHSSXCYYFVZLN-WIYYLYMNSA-N 459.616 2.472 30 10 JEEE C=CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1722684389 PGJVDUDLXAURQY-QGZVFWFLSA-N 482.006 2.424 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(c2ncccc2C#N)CC1 1722692068 WDCUYGJJBVBJGS-GOSISDBHSA-N 490.543 2.453 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@H](C)CN1CCOCC1 1740550574 QQYRJUABSQKEMM-PMACEKPBSA-N 477.613 2.491 30 10 JEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCc1nccc(C(F)(F)F)n1 1740602381 KRTHPNYQWOYRSN-UHFFFAOYSA-N 493.515 2.316 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(F)cc2Br)n1C[C@@]1(O)CCN(C)C1 1740648015 BQYYSPDHAMAFIC-OAQYLSRUSA-N 460.351 2.376 30 10 JEEE C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H]1CC=CCC1 1740744726 FTLNRVNDDGJFGL-HZPDHXFCSA-N 474.425 2.312 30 10 JEEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1740821620 HSDWPNDKLPLNAM-BEFAXECRSA-N 462.016 2.005 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(F)(F)F 1740919069 YQKLJQXHSDOCCU-MRXNPFEDSA-N 459.494 2.366 30 10 JEEE C#CCN(c1nnc(C)n1C[C@@H]1CC2(CC2)CN1C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1748805373 QOPOXRWYWNIFKK-ROUUACIJSA-N 463.604 2.003 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CC12CCOCC2 1748964617 KTZIXYSEOBNBBS-VQTJNVASSA-N 489.617 2.489 30 10 JEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)Cc2cccc(F)c2)CC1 1749033619 KBBXQPYVUJPOIV-HXUWFJFHSA-N 484.601 2.016 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccco1 1749538600 XSNQDXWUMTVEKH-FQEVSTJZSA-N 457.556 2.445 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N(C)Cc1nc(O)c2sccc2n1 1749666165 IJSBVXUELXNHJE-UHFFFAOYSA-N 450.528 2.297 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1749738542 PCZNTQIEJCXJRF-SFHVURJKSA-N 463.629 2.122 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(S(C)(=O)=O)CCCC1 1760117083 MDNHFJXBDOBUMJ-ROUUACIJSA-N 495.646 2.402 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@](C)(O)c1ccco1)[C@@H]1CCS(=O)(=O)C1 1760185051 OMQFCCDUDRLVNK-JPYJTQIMSA-N 454.552 2.381 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@@H]1CC(F)(F)CO1)[C@@H]1CCS(=O)(=O)C1 1760185533 YVESVWCOSUXXFE-SJORKVTESA-N 450.511 2.304 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccc(C(C)(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 1760186878 AZRFWLVJQKBPPG-LJQANCHMSA-N 474.537 2.465 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1CCNS(=O)(=O)c1ccc(C)s1 1760205014 MDJFNNKQEXGCKR-UHFFFAOYSA-N 474.637 2.055 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2Cc2ccc(OCCN(C)C)cc2)CC1 1760260114 WAYHWRWJZDTJKS-HSZRJFAPSA-N 452.603 2.264 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2Cc2ccccc2OCCN(C)C)CC1 1760268001 AAKMYDWMLKAHKA-UHFFFAOYSA-N 450.587 2.110 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2CCC(F)(F)C2)CC1 1760273029 GQBZCUPSSZJCBE-NEWSRXKRSA-N 465.545 2.403 30 10 JEEE C=C(C)COCCn1c(-c2ccc[nH]2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1760355146 ZWJQTTQAUOZYOR-LJQANCHMSA-N 455.607 2.435 30 10 JEEE C=C(Cl)Cn1c(-c2ccccn2)nnc1N1C[C@@H]2[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1760371641 GROCUYBHTZDYMU-HYVNUMGLSA-N 495.005 2.219 30 10 JEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)c1ncc(C)s1)C1CC1 1760476902 JQTGHRZMHSDFMF-WMLDXEAASA-N 466.633 2.334 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)c1sc(CC)nc1C 1760522364 RTJVQVZBUQSGFC-CABCVRRESA-N 466.633 2.007 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@]2(N(C)C)CCSC2)C1 1760549711 KXOFVCMZSZGDGO-VGOFRKELSA-N 476.672 2.488 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1760556003 SBZUZEFOSXWSFZ-QFIPXVFZSA-N 494.706 2.115 30 10 JEEE Cc1nn(C)c(N2CCN(c3nnc(C(=O)NC(C)C)n3C[C@@H](C)c3ccccc3)CC2)c1C#N 1762399738 ALNNVOBVRQFPOO-GOSISDBHSA-N 475.601 2.460 30 10 JEEE CN(C)C(=O)C1(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)CCCC1 1768424758 FCBKXFAEDWMRJI-LJQANCHMSA-N 470.599 2.089 30 10 JEEE CCCC[C@@H](NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1)C(=O)N1CCN(C(C)=O)CC1 1868795220 JUTAGXSSEUJNPY-RTWAWAEBSA-N 473.643 2.390 30 10 JEEE C=CCn1cc(OCc2n[nH]c(=N)s2)c(=O)cc1CN1CCN(c2ccccc2F)CC1 1870576341 WRYZZRASUHYYTI-UHFFFAOYSA-N 456.547 2.339 30 10 JEEE COc1ccc(OC)c(/C=N/n2c(Cc3ccccc3[N+](=O)[O-])nnc2SCC(N)=O)c1 1874295296 UEBNTXRNLFQJNE-SSDVNMTOSA-N 456.484 2.254 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)NCCn1cc(I)cn1 1962866902 ALNGXMTZSDQMNO-CYBMUJFWSA-N 461.304 2.191 30 10 JEEE N#C[C@](N)(Cn1cnc(I)c1I)C1(Cl)CC1 1995079388 FSVSCPTWZASEOC-VIFPVBQESA-N 462.460 2.085 30 10 JEEE CC(C)(C)OC(=O)N[C@@]1(C(=O)Nc2ccc(Br)c(C#N)c2)CCS(=O)(=O)C1 2180867116 RHEPONMWMLTSBJ-KRWDZBQOSA-N 458.334 2.341 30 10 JEEE CC(C)(C)OC(=O)N[C@H](C(=O)N1CC(CB2OC(C)(C)C(C)(C)O2)C1)[C@@H](O)C(F)(F)F 2254157315 FAZGZPHGRYCHRR-QWHCGFSZSA-N 452.279 2.354 30 10 JEEE CC[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1nn(C)c(Cl)c1B1OC(C)(C)C(C)(C)O1 2255821089 AFMJAWATXVAOIZ-GFCCVEGCSA-N 456.780 2.406 30 10 JEEE Cc1sc(C(=O)N[C@H]2COC[C@H]2NC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2255839831 ZNKACGKEYBRXPD-LSDHHAIUSA-N 452.382 2.378 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](NS(=O)(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2255950786 UMFNFDCFWJQYCX-INIZCTEOSA-N 452.382 2.274 30 10 JEEE C[C@H]1[C@@H](CC(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)CCN1C(=O)OC(C)(C)C 2256676801 QTGDKGDPQHWNKK-QWHCGFSZSA-N 452.386 2.233 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](C(=O)N1C[C@H]2[C@H](B3OC(C)(C)C(C)(C)O3)[C@H]2C1)[C@@H](O)C(F)(F)F 2265312177 PUYNSJMTUBCYAH-MBJXGIAVSA-N 464.290 2.354 30 10 JEEE C[C@H](N(Cc1ccccc1)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)C(C)(C)O 2267719522 DKAFRNVKNDMVEK-INIZCTEOSA-N 463.409 2.070 30 10 JEEE CC(C)(C)OC(=O)N[C@@]1(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C[C@H](O)C1(C)C 2268706453 ORHSFRANSCPYBI-LAJNKCICSA-N 467.397 2.435 30 10 JEEE CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1c(F)cccc1B1OC(C)(C)C(C)(C)O1 2281769146 ABXIOTVLTFWDCF-SJORKVTESA-N 464.343 2.489 30 10 JEEE CC(C)(C)OC(=O)NCCCN(CCO)C(=O)c1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2281790896 MGNUEHIYOWCVID-UHFFFAOYSA-N 466.359 2.474 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ccc(F)c(B3OC(C)(C)C(C)(C)O3)c2)[C@@H](O)C1 2281792248 UALNLSDBYCRDGO-ROUUACIJSA-N 464.343 2.225 30 10 JEEE Cc1c(C(=O)N(C)[C@H](CNC(=O)OC(C)(C)C)C2CC2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281795885 IAXZXELESGPKTP-MRXNPFEDSA-N 462.400 2.403 30 10 JEEE Cc1c(C(=O)N[C@H]2CCOC[C@H]2OCc2ccccc2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281798791 MOXOANKTDSXHRQ-RBUKOAKNSA-N 455.364 2.132 30 10 JEEE Cn1ncc(C(=O)N2CC[C@H](CNC(=O)OC(C)(C)C)C2(C)C)c1B1OC(C)(C)C(C)(C)O1 2281824049 SMYUJPBRLXFDBJ-OAHLLOKOSA-N 462.400 2.485 30 10 JEEE Cc1cc(C(=O)N(C2COC2)C2CN(C(=O)OC(C)(C)C)C2)oc1B1OC(C)(C)C(C)(C)O1 2281970284 CQWYAFKJHIMVPX-UHFFFAOYSA-N 462.352 2.348 30 10 JEEE C[C@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)[C@@H](CNC(=O)OC(C)(C)C)C1 2281981459 NRKSWZPRASDCFY-JKSUJKDBSA-N 462.400 2.485 30 10 JEEE Cc1c(C(=O)NC[C@@H]2C[C@@H](C)N(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281985441 LUYJTBBBHWRWDA-ZBFHGGJFSA-N 462.400 2.403 30 10 JEEE CN(CCc1nc(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)n[nH]1)C(=O)OC(C)(C)C 2281994645 RXJZPWKNZMNHPD-UHFFFAOYSA-N 478.384 2.222 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@]2(CNC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2282018564 YNBKBMYCVJQOOP-NPMXOYFQSA-N 458.368 2.153 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CN(S(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C(C)(C)C1 2282353533 HYQMKIPZGGRUDY-INIZCTEOSA-N 481.424 2.447 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2CC(C)(C)CN2C(=O)OC(C)(C)C)n1 2282554504 FJZIDNXMDYLVQM-HNNXBMFYSA-N 462.400 2.485 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H]1COCC[C@@H]1NC(=O)OC(C)(C)C 2282693516 NBJXCTVYSQDQGL-DLBZAZTESA-N 463.384 2.219 30 10 JEEE COC(=O)c1[nH]c(C)c(C(O)=C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(C)cc2)c1C 2296924188 YVMXKOLRQGLCHE-JOCHJYFZSA-N 481.549 2.480 30 10 JEEE CC(=NNc1nc2c(c(O)nc(=O)n2C)n1C[C@H](O)COc1ccc(C)cc1)c1ccccc1 2318581775 LFVAFDYHHSQWJA-SFHVURJKSA-N 462.510 2.420 30 10 JEEE CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[C@@H](B2OC(C)(C)C(C)(C)O2)C1)[C@H](O)C(F)(F)F 2319734204 OLVLPAYZYMHOLK-AGIUHOORSA-N 452.279 2.498 30 10 JEEE CN(C(=O)c1nscc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1F 2320550461 DGXWLDSZVUDGDN-ZIAGYGMSSA-N 455.361 2.472 30 10 JEEE Cc1nnc(SCC(=O)NC2CCCC2)n(N=Cc2cn(CC(=O)O)c3ccccc23)c1=O 2321655285 UXRAJVFGPAACGP-UHFFFAOYSA-N 468.539 2.019 30 10 JEEE COc1ccc(N2C[C@@H](c3nnc(SCC(N)=O)n3N=Cc3ccc([N+](=O)[O-])cc3)CC2=O)cc1 2325880573 JQBAPOXFBNOAPW-HNNXBMFYSA-N 495.521 2.175 30 10 JEEE CCCOC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1N=Cc1ccc(O)c(O)c1 2329056425 APGXQVRLWCOWMW-HNNXBMFYSA-N 461.544 2.341 30 10 JEEE CCC[C@H](CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nc(C)n1C)NC(=O)OC(C)(C)C 2337190521 OSBKVIHHLMKDGR-OAHLLOKOSA-N 450.389 2.451 30 10 JEEE COC1(CCNC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2337401176 FMHUUTOVKLUOSB-UHFFFAOYSA-N 467.397 2.198 30 10 JEEE Cn1ncc(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)CC23CC3)c1B1OC(C)(C)C(C)(C)O1 2361527828 QEQNKMGOOCOLOX-OAHLLOKOSA-N 460.384 2.096 30 10 JEEE CC(C)(C)OC(=O)N1CC(C(=O)Nc2ccc(Br)c(C#N)c2)(S(C)(=O)=O)C1 2379798712 KARFQKOSEBHYMW-UHFFFAOYSA-N 458.334 2.293 30 10 JEEE CC(=O)N1CCc2c(sc(NC(=O)[C@H]3CCCN3S(=O)(=O)c3ccc(F)cc3)c2C#N)C1 8897074 YXFAQFGYYJVOKF-GOSISDBHSA-N 476.555 2.455 30 10 JEEE CCOc1cc(/C=N/Nc2nc(SCC(=O)NCc3ccc4c(c3)OCO4)n[nH]2)ccc1O 20175756 WMGJSRZQPQQJKQ-AUEPDCJTSA-N 470.511 2.492 30 10 JEEE COCCNC(=O)CN1CCN(/C(=N\Cc2ccc(C)cc2)Nc2ccc(C(=O)O)cc2)CC1 21047156 DMVFKYFHNWNJRL-UHFFFAOYSA-N 467.570 2.042 30 10 JEEE O=C(C[S@@](=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-])OCC(F)(F)C(F)F 33671355 UPAGNQPQSJZVMF-NDEPHWFRSA-N 475.316 2.440 30 10 JEEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2nc3ccc(S(=O)(=O)NCC)cc3s2)cc1 47157327 NYOHHQPKJINYNO-UHFFFAOYSA-N 480.593 2.311 30 10 JEEE C=CCO[C@@H]1[C@@H](NC(=O)COC)c2ccccc2C12CCN(C(=O)Cn1nc3ccccc3n1)CC2 208788709 HROAOWZVZGKGNV-IZZNHLLZSA-N 489.576 2.380 30 10 JEEE Cc1cccc(/C(N)=N/O)c1-n1cnc(I)c1I 302397028 GRZFDIKPYDOULF-UHFFFAOYSA-N 468.036 2.484 30 10 JEEE COCCn1cc(C=NNc2nnc(SCC(=O)Nc3cccc(C(F)(F)F)c3)n2N)cn1 1084407592 IHZBILOVPLOWHQ-UHFFFAOYSA-N 483.480 2.030 30 10 JEEE C=CCn1cc(C=NNc2nc(SCC(=O)Nc3cccc(N4CCCC4=O)c3)n[nH]2)cn1 1084496591 UTPJTJHVKBKENY-UHFFFAOYSA-N 465.543 2.491 30 10 JEEE COCCSc1nnc(NC(=O)CSc2n[nH]c(NN=Cc3ccc(OC)c(O)c3)n2)s1 1084650606 NEXXMGSPAWDDJK-UHFFFAOYSA-N 496.600 2.286 30 10 JEEE COC(=O)c1ccc2c(c1)CN(C(=O)[C@H](CC(C)C)/N=C1/NS(=O)(=O)c3ccccc31)C2 1136686419 CHQXGGCWOCAVSL-IBGZPJMESA-N 455.536 2.469 30 10 JEEE C#CCNS(=O)(=O)c1cccc(C(=O)N(C2CC2)[C@@H](Cc2ccccc2)C(=O)OCC)c1 1144003574 KKYSHSJRXQNFIQ-QFIPXVFZSA-N 454.548 2.377 30 10 JEEE C=CCNC(=O)CNC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)(C)O 1152525645 SEAUVHLPQKCEPS-JOCHJYFZSA-N 451.523 2.083 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CN(Cc2ccccc2)CCO1 1286276691 YJUNVXWEFQCQKC-TZIWHRDSSA-N 459.554 2.284 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1coc(-c2ccc(C)cc2)n1 1286297998 ZNOYQVSNNQRNRV-NQIIRXRSSA-N 498.609 2.275 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2sc(C)nc2C)c1 1286312626 ZAYIEBWJEHJUPC-SFHVURJKSA-N 498.634 2.358 30 10 JEEE C#CCCCn1c(COc2ccccc2F)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1286356873 CIGANRKRVZTOKL-UHFFFAOYSA-N 481.532 2.467 30 10 JEEE C#CCCCn1c(N2CCS(=O)(=O)C3(CCCCC3)C2)nnc1[C@@]1(OCC)CCOC1 1286359519 DRHKUIOOLIDEBJ-JOCHJYFZSA-N 450.605 2.281 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H]1CCCO[C@H]1C(C)C)[C@H]1CCS(=O)(=O)C1 1286394940 YHSOQZMYNAHIBH-FUDKSRODSA-N 471.627 2.342 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@](C)(O)[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1286398385 XYFACOCGSRGVQE-BSRJHKFKSA-N 478.590 2.420 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1286415192 LKJTYLBHICLNDH-YPAWHYETSA-N 468.646 2.212 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@@]2(C)OCCc3sccc32)CC1 1286471245 HZYFMWILWODFDJ-WZONZLPQSA-N 459.616 2.307 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@H](CNC(C)=O)C1 1286587597 NAVHOXPSRJKWOE-GOSISDBHSA-N 460.604 2.124 30 10 JEEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1286600674 CSUOYGLXESTAND-UHFFFAOYSA-N 473.541 2.111 30 10 JEEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1286613060 PEICHZJJMDOPMY-ZWKOTPCHSA-N 461.588 2.247 30 10 JEEE C=CC1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCCc2cnn(C)n2)CC1 1286654336 GLHBHQUYUZXNCZ-UHFFFAOYSA-N 484.630 2.359 30 10 JEEE C=CC[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCCN(S(C)(=O)=O)CC1)c1ccccc1 1286677762 JFLKDCHBRWOGAN-NRFANRHFSA-N 486.642 2.346 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1286780482 VXXAFLAAGCATDF-LRDNONRASA-N 479.379 2.111 30 10 JEEE C[C@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1CC(F)(F)CNC(=O)OC(C)(C)C 1286969062 DCPCPCKLRQDEGR-CQSZACIVSA-N 455.510 2.156 30 10 JEEE CC(C)NC(=O)c1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1CC1(S(C)(=O)=O)CC1 1288066574 BMQILGZVKKMIQO-UHFFFAOYSA-N 456.572 2.034 30 10 JEEE C[C@@]1(C#N)CCCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1288974028 AKJKVBBQKASUDE-KUHUBIRLSA-N 496.435 2.447 30 10 JEEE COc1cc(Cl)ccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1 1299910834 GBZLTNGPPPHOFQ-KPZWWZAWSA-N 456.931 2.041 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H](c1ccc(CC)cc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1300496084 NVRSGCQYQMXIMM-ZLNRFVROSA-N 485.654 2.274 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1=CCCOC1)[C@@H]1CCS(=O)(=O)C1 1300503134 ASSFTNRFTPABKY-VAMGGRTRSA-N 462.616 2.170 30 10 JEEE C#CCN1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CC(C)(C)OCC)CC1 1300699297 AXRAIWQEAAVCFH-UHFFFAOYSA-N 452.607 2.022 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2C[C@@H]2CCCN2CCC)CC1 1300709964 MVOBKJXXNILVEH-NRFANRHFSA-N 452.603 2.495 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1300894913 JSDNQFDLDDFIOR-WHZJULEDSA-N 482.647 2.387 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC(C)(C)[C@H]1C 1301151520 NIQFVUCNZMVGQV-IAGOWNOFSA-N 455.625 2.217 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(Br)cc2)nnc1N1CC[C@@H](OC)C1 1301593962 ZARDASQHFVITQF-QGZVFWFLSA-N 485.404 2.446 30 10 JEEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N(C)C2CCCCC2)CC1 1301608831 AIIKZLMBUBTHGW-HXUWFJFHSA-N 489.690 2.062 30 10 JEEE COCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1301727470 DBVOLEIRJSHDBM-KRWDZBQOSA-N 465.524 2.468 30 10 JEEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCCCS2)C1 1303939360 DLPZCCUSQBPGSC-MBOZVWFJSA-N 468.649 2.027 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1CCc1nccnc1C)[C@H]1CCS(=O)(=O)C1 1358959886 RNEKZHKSXPOQGF-IBGZPJMESA-N 450.568 2.221 30 10 JEEE C=C(C)COCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(C(=O)OC)CC1 1359133420 RPQMHWCRZLRIAE-UHFFFAOYSA-N 469.590 2.434 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)ccc2C)nnc1N1CCN(C(C)=O)C[C@@H]1C 1359334930 VCDJILIURJZHIN-IBGZPJMESA-N 475.615 2.132 30 10 JEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1359342898 HEPBANJBCKXTRM-MSOLQXFVSA-N 453.678 2.410 30 10 JEEE N#Cc1cccc(NC(=O)N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)n1 1466940922 HRLNKDYAUPWTOK-UHFFFAOYSA-N 450.318 2.254 30 10 JEEE C#C[C@H]1COCCN1C(=O)NC[C@@H]1CCCN1Cc1ccc(I)cc1 1478524885 CFBLXLZCBGZAHA-ROUUACIJSA-N 453.324 2.299 30 10 JEEE CC[C@@H](C)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCCN(S(C)(=O)=O)CC1)OC 1494988710 FOQNGMGVCABEPF-YLJYHZDGSA-N 460.604 2.350 30 10 JEEE CCc1ccc(-c2nnc(N3CCN(c4nccnc4C#N)C[C@@H]3C)n2CCN(C)CCOC)cc1 1497963912 GXPJBPCJYUGRRJ-FQEVSTJZSA-N 489.628 2.462 30 10 JEEE CCN(CC)CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2[C@H]2C[C@@H]2C)CC1 1501909501 CDOYZHVFSKFZHI-RXVVDRJESA-N 451.575 2.300 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(N2CCSCC2)CCCCC1 1507516645 LUQGHMVUFGPMGW-QZTJIDSGSA-N 468.693 2.098 30 10 JEEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1507583905 XNWQPARNHUISNF-KDURUIRLSA-N 463.586 2.151 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H](CC(C)C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1507628367 WJGAXBPJBVRUGY-RTWAWAEBSA-N 488.614 2.456 30 10 JEEE C#CCN(c1nnc(-c2cn(C)c3ccccc23)n1CCC(=O)N[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1507631735 SNKDNPXWOQREJZ-RTBURBONSA-N 496.637 2.368 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H](c1ccsc1)N(C)C 1507644434 IJPJKYOWTZJDSB-NRFANRHFSA-N 457.567 2.358 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1OCCC1(C)C 1507651958 DBYQPTZJJYUPMM-OALUTQOASA-N 457.575 2.474 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(O)(C(F)(F)F)CC1 1507791670 PNLBMWXQDREZIK-HOTGVXAUSA-N 457.497 2.389 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N(C)Cc1ccc(C(N)=O)cc1 1507806351 MXLJYENYVGOQDQ-SIKLNZKXSA-N 452.559 2.117 30 10 JEEE C=CC1CCN(c2nnc(COc3ccc(OC)cc3)n2CCN2CCN(C(C)=O)CC2)CC1 1507909648 NMMQEAQBSFYFIZ-UHFFFAOYSA-N 468.602 2.432 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1507913796 BVUZFLCUTNQXPG-ZWKOTPCHSA-N 468.668 2.180 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CC[C@H](OCCOC)C1 1508071720 DEVYSYODGBPFIH-SFHVURJKSA-N 450.543 2.346 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCn2cc(CO)nn2)C1 1508125731 FHAGSCASYIZZFJ-VAMGGRTRSA-N 459.595 2.152 30 10 JEEE CC(C)C(=O)NCCN(C)c1nnc(-c2cccc(C#N)c2)n1CCC(=O)N1CCCCC1 1508813111 DUFXPDFJEZRSSW-UHFFFAOYSA-N 451.575 2.428 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1Cc1c(C)nn(C)c1C)[C@@H]1CCS(=O)(=O)C1 1539210217 BUJHXXXJZLQAQB-LJQANCHMSA-N 452.584 2.279 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H](CC)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1539222355 VNWNBXLVUATFME-GUDVDZBRSA-N 495.646 2.102 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1ccc(OCC(F)(F)F)nc1 1539250865 UHLHOQRWFASTLG-UHFFFAOYSA-N 493.453 2.378 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CC(C)(C)c2ccc3c(c2)OCO3)CC1 1539489258 JXFXOQHCQOCGJV-UHFFFAOYSA-N 467.570 2.487 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@]1(O)CCN(C)C1 1539541078 XZVSXOVIVOBOSC-RPWUZVMVSA-N 455.559 2.030 30 10 JEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1539722568 PWBMHZGELGVOKX-UHFFFAOYSA-N 457.579 2.034 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ccccc2OC)CC1 1539890447 OMXPXKAVKHLYFQ-OAQYLSRUSA-N 475.615 2.265 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@]1(O)CCN(C)C1 1540140626 ZKNSJWPLSQWDIB-ZCVJKFOLSA-N 459.566 2.400 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(c2nccc(OCC)n2)CC1 1540865381 DNCAYHHMSLQPKR-UHFFFAOYSA-N 487.568 2.024 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2OCC)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1540875107 BLERMMMZVAVSIC-VWLOTQADSA-N 485.585 2.332 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CCN(c2cnccn2)CC1 1540875490 NQNZULOKCRYYAA-UHFFFAOYSA-N 464.599 2.298 30 10 JEEE C#CCn1ccc(CN(CC)C(=O)C2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)n1 1543693027 WIWGLPFWEQLQEJ-UHFFFAOYSA-N 450.511 2.244 30 10 JEEE CCn1cccc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@@H](NC(C)=O)C2)c1=O 1547627324 BKILKZQAUMRAHT-OAQYLSRUSA-N 475.553 2.064 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CCCN(C(=O)c3ccccc3F)CC2)C1 1564530281 ADGGLSDUNFLKQT-QFBILLFUSA-N 459.522 2.442 30 10 JEEE C#CCN(C(=O)NCC(C)(C)CS(N)(=O)=O)[C@@H]1CCOc2ccc(Br)cc21 1565215548 KHHDIPNGAFOVHI-OAHLLOKOSA-N 458.378 2.232 30 10 JEEE C#C[C@@H](NC(=O)[C@H]1CN(C)C(=O)CN1C(=O)OC(C)(C)C)c1ccc(Br)cc1 1583571294 WSQJHZRZFHVTII-HZPDHXFCSA-N 450.333 2.317 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H](C)N1CCN(CC)CC1 1588078815 NAIZCRQMKUEYQT-JOCHJYFZSA-N 461.614 2.246 30 10 JEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCC1CCN(CC)CC1 1588124222 GWCYIHSCWHLFDW-UHFFFAOYSA-N 467.643 2.433 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCC[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 1588733356 QWJWGGRDWRDXON-HXUWFJFHSA-N 487.649 2.351 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@](C)(O)c2ccc(F)cc2)CC1 1588864820 KIONIZIDMLPRPC-DEOSSOPVSA-N 482.585 2.072 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@@](C)(O)c2ccc(F)cc2)CC1 1588968305 HVXGGKVHPGMQGB-HYBUGGRVSA-N 455.534 2.142 30 10 JEEE C#CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(C(C)=O)C[C@@H]1C 1589053152 IQBTUAZDVWAGCF-HNNXBMFYSA-N 451.556 2.017 30 10 JEEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(=O)Nc2ccc(F)cc2)CC1 1589708113 BCRAVEOXBJGMSV-HNNXBMFYSA-N 479.582 2.394 30 10 JEEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC(F)(F)F)CC1 1593747345 UWZSOULRRFACLL-QGZVFWFLSA-N 495.568 2.373 30 10 JEEE C=C(Cn1c(N2CCN(C(=O)COC)CC2)nnc1[C@]1(OC(C)C)CCOC1)c1ccccc1 1593796005 DYQVESVRQBOKOG-VWLOTQADSA-N 469.586 2.327 30 10 JEEE C=CCCOCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN2C(=O)NC[C@H]2C1 1594812713 IWNGZPRFKVAAKE-IBGZPJMESA-N 489.621 2.199 30 10 JEEE C=CCNC(=O)Cn1c(N2CCc3ccc(OC)cc3C2)nnc1[C@]1(OC(C)C)CCOC1 1595603103 XUNYLJAIPKYZNJ-DEOSSOPVSA-N 455.559 2.192 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCCCC2(F)F)C1 1595728484 BUBNCQXAHSIZSM-KZNAEPCWSA-N 489.589 2.218 30 10 JEEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCCN(C(=O)c2cccc(Cl)c2)CC1 1595766510 RDOUWTAAEXCISX-UHFFFAOYSA-N 451.980 2.193 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC(O)(Cc2ccc(F)cc2)CC1 1595797825 JCSCEIDDMLUGGN-IBGZPJMESA-N 478.590 2.096 30 10 JEEE COc1ccc(S(=O)(=O)N2CCC(CNC(=O)c3ccc(C#N)c(O)c3)CC2)cc1OC 1633631045 CATBMGLNTGETOV-UHFFFAOYSA-N 459.524 2.112 30 10 JEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCc1cccc(N2C(=O)N[C@](C)(C3CC3)C2=O)c1 1635182688 XAQCGGXENHNPJZ-XMMPIXPASA-N 454.527 2.398 30 10 JEEE N#Cc1ccc(S(=O)(=O)N2CCN([C@@H]3CCCN(Cc4ccccc4)C3=O)CC2)cc1F 1663315368 CYLKYTHNZPRXOI-JOCHJYFZSA-N 456.543 2.195 30 10 JEEE C=CCNC(=O)c1ccc(NC(=O)NCCCC(=O)NC2CCN(C(=O)OCC)CC2)cc1 1673644008 SLCZIRGFEPUJQK-UHFFFAOYSA-N 459.547 2.241 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@H]1CCCN(C(C)=O)C1 1689860637 FAQMJPYPHCJYKC-VWNXMTODSA-N 477.657 2.359 30 10 JEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(=O)c2ccccc2F)CC1 1689874980 HLOVHHCQFXFLKC-GOSISDBHSA-N 490.605 2.183 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1[C@@H]1C[C@H]1CCC)[C@H]1CCS(=O)(=O)C1 1689982604 QNRWJBFSEUHRBF-MOXWOTFGSA-N 450.605 2.307 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1ccccc1COC)[C@H]1CCS(=O)(=O)C1 1689986618 UAYYDKWTSBTBSV-NRFANRHFSA-N 451.552 2.162 30 10 JEEE C#CCN(c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCC)[C@H]1CCS(=O)(=O)C1 1689987705 AZCMQLZHRTUVHA-KRWDZBQOSA-N 468.583 2.273 30 10 JEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1 1690485659 ZFYVLPABXYEIGY-ZWKOTPCHSA-N 493.634 2.468 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](C)S[C@@H](C)C1 1690672623 XWBYIGNNUOQNDD-ULQDDVLXSA-N 480.635 2.219 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC[C@@H](Oc3ncccc3F)C2)nnc1[C@@]1(OC(C)C)CCOC1 1690676747 CCODAWGSCHHPLM-HOYKHHGWSA-N 488.564 2.203 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N(C)Cc1cnn(CC)c1 1690717259 ACRFWJMWHIIEPR-UHFFFAOYSA-N 496.435 2.500 30 10 JEEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccs2)CC1 1690733434 FBJGURUTSDYEBD-HNNXBMFYSA-N 456.663 2.196 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCOc1ncccc1F 1705606616 ADRHHQVVECTJRE-UHFFFAOYSA-N 472.546 2.268 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2cccc(CN(C)C)c2)CC1 1705642127 HXXGFSLMFVZKAW-UHFFFAOYSA-N 477.638 2.135 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCOC(F)F)CC1 1705646719 OFAJROGZLWPICN-UHFFFAOYSA-N 462.457 2.448 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1705685899 LDTADOABRDCDSZ-HZPDHXFCSA-N 477.425 2.111 30 10 JEEE C=C(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1705723511 YWRSVPQRODBZAO-KRWDZBQOSA-N 454.575 2.328 30 10 JEEE C=C(Cl)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C(N)=O)CC1 1705754747 FILQFWODQFBIRI-OAHLLOKOSA-N 454.959 2.041 30 10 JEEE C=CC1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCC(=O)N(C)C)CC1 1705778486 XXZMMGYDMMTBJS-UHFFFAOYSA-N 460.604 2.076 30 10 JEEE 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 1705834122 DUPWKLUZIUYDRM-LTIDMASMSA-N 468.624 2.014 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 1705898542 OWMBNYXCEHOEKQ-OAHLLOKOSA-N 472.937 2.380 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC2(N(C)C)CCOCC2)C1 1705917953 ZSVXTDWARDRUOE-RDPSFJRHSA-N 463.623 2.211 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCNC(=O)c2ccc(C)c(F)c2)C1 1705923072 YOVPATQUDGMTOE-LJQANCHMSA-N 453.522 2.337 30 10 JEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOc2ccccc2)CC1 1722317303 SEWHNTHJGCETEX-NRFANRHFSA-N 471.627 2.185 30 10 JEEE C#CCN(c1nnc(C(C)C)n1CC(C)(C)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1722358878 NCGRUZMDVCFGOV-MRXNPFEDSA-N 453.609 2.332 30 10 JEEE C#CCN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1[C@@H]1C[C@H]1C)[C@H]1CCS(=O)(=O)C1 1722359270 RGUXQQDAVPPKJE-FHLIZLRMSA-N 461.975 2.069 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1CC(=O)Nc1c(C)cccc1C)[C@H]1CCS(=O)(=O)C1 1722359797 BFMLBBITUYHKKT-FQEVSTJZSA-N 478.578 2.222 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1Cc1ccc(OC)nc1)[C@@H]1CCS(=O)(=O)C1 1722361627 ILLFMDPMBBXCER-LJQANCHMSA-N 497.577 2.041 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@](C)(OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1722364441 ZWHCTXVVHAUPFS-NZQKXSOJSA-N 453.568 2.259 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@H](C)Oc1ccccc1OC)[C@@H]1CCS(=O)(=O)C1 1722364563 IAGDJBJBMJSAIQ-PZJWPPBQSA-N 495.605 2.367 30 10 JEEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1CC1CCCC1)[C@H]1CCS(=O)(=O)C1 1722372574 ZMADCRWUCLZZAJ-KRWDZBQOSA-N 461.613 2.087 30 10 JEEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1(C(=O)NCC)CCC1 1722404962 HDCDJPIPRZIBCS-UHFFFAOYSA-N 471.631 2.313 30 10 JEEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1722405552 MTWOWOMTWRRFPA-WIOPSUGQSA-N 453.587 2.291 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2cn(CCCC)nc2C)CC1 1722433164 NNEWRTGPDBDGKA-RUZDIDTESA-N 469.634 2.427 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2CC2(C(=O)NCC)CCC2)CC1 1722443182 OVIHHEWPOKIKRA-UHFFFAOYSA-N 478.597 2.226 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2CC[C@@H](N2CCOCC2)C(F)(F)F)CC1 1722445427 XPIBTNMDEAZCRZ-PKOBYXMFSA-N 484.567 2.411 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(=O)NCCC)c1 1722476116 YWQKFLZHHDXXJK-HYBUGGRVSA-N 469.611 2.360 30 10 JEEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1722524036 IAMHGOBQBNGNQT-IAGOWNOFSA-N 469.608 2.176 30 10 JEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C2CCC(C)CC2)CC1 1722703139 WFNOESFGAHFYKT-UHFFFAOYSA-N 454.623 2.143 30 10 JEEE C=CCOc1ccccc1Cn1c(N2CCNC(=O)[C@@H]2CC)nnc1[C@]1(OCC)CCOC1 1722708340 QLDMJJKHSABCDK-CYFREDJKSA-N 455.559 2.258 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)Cc2cccs2)C1 1722718782 MYBRTFXSTMJIIB-NLWGTHIKSA-N 495.671 2.333 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H](C)[C@@H](F)C1 1722723809 GCDPAASTOSVVOX-OCCSQVGLSA-N 460.373 2.441 30 10 JEEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCS(C)(=O)=O)C[C@H](C(F)(F)F)O1 1726670559 FVTLWVOTHAITQN-CZUORRHYSA-N 457.478 2.407 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H](c1cccc(C)c1)N1CCOCC1 1727228763 AFEHYUMQNUMKRC-XZOQPEGZSA-N 495.628 2.307 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCN1CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1740619556 KGUCZVDYJVINON-AZUAARDMSA-N 457.600 2.065 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCN(C)[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1740621814 ZJCCDROTRKZIJH-FUHWJXTLSA-N 465.023 2.351 30 10 JEEE C#CCN(c1nnc(CC)n1C[C@@H](c1ccc(OC)cc1)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1740626573 LVRGWOZLTKQNGD-UNMCSNQZSA-N 471.627 2.313 30 10 JEEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C 1740632601 MMRJRIWADPIIMD-CYFREDJKSA-N 457.575 2.403 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCCN2CCCCC2=O)CC1 1740700984 PSSVYMWAAWQEBY-OYRHEFFESA-N 499.660 2.207 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1740751503 KZXDUZWENDUXPH-DBVUQKKJSA-N 473.622 2.218 30 10 JEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccc(F)cc2)CC1 1740876177 FBARGHREJNERGK-FQEVSTJZSA-N 478.594 2.043 30 10 JEEE C=CCCOCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1740885901 QLJSKJFFIHXMPC-OALUTQOASA-N 452.563 2.142 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1740955369 SHKXKEQWSRDUAE-OAHLLOKOSA-N 482.507 2.337 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 1740957729 YUIRNDCDHDAZSF-UHFFFAOYSA-N 457.579 2.327 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H]2CC[C@H](CO)O2)C1 1740970173 GAKQYPBYHUSSST-HSALFYBXSA-N 475.977 2.183 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H]2CC(=O)N(CCOC)C2)C1 1740984557 FBBPXDOOSUMNLZ-ITTUMRLJSA-N 475.634 2.473 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N(C)CC1CC(F)(F)C1 1740985947 OISDNZJLCANNLK-UHFFFAOYSA-N 454.503 2.008 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@H](CC)C1 1740994710 VFZCOEUVGDEJOV-IEBWSBKVSA-N 459.572 2.333 30 10 JEEE C=CCSCCn1c(Cc2ccsc2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1741003930 JPTAGDDIBNSGPL-INIZCTEOSA-N 458.617 2.382 30 10 JEEE C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CCN1CCSCC1 1741139127 AUMWLJWJKLOTNG-IRXDYDNUSA-N 462.645 2.123 30 10 JEEE CC[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1)OC 1744115414 AUPWMGAMTYSTFH-WBVHZDCISA-N 496.037 2.165 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCc1nnc2n1CCCCC2 1748651587 OZPWSHAAFGGFIQ-QGZVFWFLSA-N 467.599 2.367 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C 1748672363 SPZAPWZPLYYXNE-IKGGRYGDSA-N 453.609 2.141 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1oc2ccc(F)cc2c1C 1748672876 YFCYCWCWDJIMJF-JLTOFOAXSA-N 475.546 2.311 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCN(CC)C1)[C@H]1CCS(=O)(=O)C1 1748805292 PXJRLPLUUPMYSB-WBVHZDCISA-N 495.447 2.004 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@H](OC)c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1748818359 ASEAXDZWAVQOMJ-VXKWHMMOSA-N 483.569 2.417 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@](C)(O)CC)CC1 1748989698 BGHITURREOUHJF-CYFREDJKSA-N 460.623 2.309 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(NC(=O)N(C)C)cc2)CC1 1748989716 CEEAEXMYRLALLC-FQEVSTJZSA-N 451.575 2.069 30 10 JEEE C#CCN1CCN(c2nnc(CSc3ccccc3OC)n2CC[C@H]2COCCO2)CC1 1748999807 GOAXWRRUKRANMZ-IBGZPJMESA-N 457.600 2.140 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2CCCN2C[C@H](C)O[C@H](C)C2)CC1 1749005952 CDMKGGLRFAEBIL-OYRHEFFESA-N 494.640 2.419 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 1749663882 BAOIYXPTCVLUNF-QGZVFWFLSA-N 455.494 2.471 30 10 JEEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)[C@H]2CCSC2)cc1 1749683344 QDPSHTTXCTWYMG-RDJZCZTQSA-N 451.618 2.443 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1749723995 FOXNXCMGQANVGZ-GOSISDBHSA-N 479.006 2.240 30 10 JEEE CC(C)C[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2C#N)CC1)N(C)C 1750696662 DYJZNXOSTSYHKI-YADHBBJMSA-N 499.685 2.355 30 10 JEEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@]1(N2CCOCC2)CCSC1 1760166009 NMDXBLMXFAYXMI-HXUWFJFHSA-N 479.448 2.323 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H](C)CN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1760182074 BKHSKFXWDQOXON-DENIHFKCSA-N 466.611 2.175 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1cc(F)ccc1OC)[C@H]1CCS(=O)(=O)C1 1760190103 ODOLMLGBUXONHL-FQEVSTJZSA-N 469.542 2.087 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(CN2CCC(O)CC2)cc1 1760207900 BFZGEJYAFALGPI-ZCYQVOJMSA-N 477.609 2.080 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@]2(OCC)CCOC2)n1CC(=O)NCC(F)(F)F 1760240461 RPPNJIHJBLWTPD-NRFANRHFSA-N 483.466 2.388 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnn(C)c2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1760240941 JATVARYDOXKEJZ-QHCPKHFHSA-N 492.603 2.400 30 10 JEEE C#CCN(CCOC)c1nnc(Cc2ccccc2F)n1Cc1cccc(N2CCOCC2)n1 1760249832 ANVSHMXEUUBRPW-UHFFFAOYSA-N 464.545 2.374 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCCn2cccn2)CC1 1760265289 VSIHUHHAAYTYKU-UHFFFAOYSA-N 488.596 2.400 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccc3c(n2)CCCC3)CC1 1760265368 ZGOKYGYOZNVCRX-UHFFFAOYSA-N 491.640 2.484 30 10 JEEE C#CCSCCn1c(-c2cccnc2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1760278796 HJTFJEQDVMTETR-FQEVSTJZSA-N 467.643 2.230 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2OCC)CC1 1760281308 MCFOLJQOPBNMDZ-LJQANCHMSA-N 489.667 2.272 30 10 JEEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1760311648 WFTXIVPSSTXFKZ-UHFFFAOYSA-N 489.465 2.308 30 10 JEEE C=C(C)COCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(S(C)(=O)=O)CC1 1760350936 XFUWHXMYQATLPO-KRWDZBQOSA-N 467.567 2.232 30 10 JEEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(=O)c2ccccc2C)CC1 1760366069 PMFVTRLCXOUYDT-INIZCTEOSA-N 481.022 2.348 30 10 JEEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC([C@@H]2CCOC2)CC1 1760427806 ISZFIFMZZVPVLN-WOJBJXKFSA-N 467.636 2.220 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N(C)CC(=O)NC(C)(C)C 1760517129 DKILUUNJEOQVGZ-UHFFFAOYSA-N 481.370 2.500 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CCC(S(C)(=O)=O)CC1 1760551768 QWLLWQKQJIQZJT-UHFFFAOYSA-N 466.629 2.122 30 10 JEEE CCN(C)C(=O)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCO[C@@H](C#N)C1 1764681823 FVDXRAITYSGBHZ-ZDUSSCGKSA-N 451.300 2.054 30 10 JEEE CCC[C@@](C)(O)Cn1c(Cc2cccnc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1765458422 DAMUOXQREPLPKV-MHECFPHRSA-N 461.574 2.192 30 10 JEEE CCNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)N(C)C2CC2)CC1 1765664103 GWEOCFUTRXPYKJ-SFHVURJKSA-N 466.590 2.063 30 10 JEEE COc1ccc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2CCNC(C)=O)cc1O 1862737705 JWTQRXZMIDAWSH-LJQANCHMSA-N 455.423 2.023 30 10 JEEE CSCC[C@H](NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1)C(=O)N1CCC[C@@H](CO)C1 1868784476 XMPXFYNIZGQHSL-HOJAQTOUSA-N 478.684 2.494 30 10 JEEE C=CCn1cc(OCC(=O)Nc2ccc(OCC)cc2)c(=O)cc1CN1CCN(C(C)=O)CC1 1870698157 COPVZNXYFCEOHD-UHFFFAOYSA-N 468.554 2.115 30 10 JEEE C=CCn1c(C(=O)NCCc2ccc(F)cc2)cc2c(N3CCN(C(C)=O)CC3)ncnc21 1873594174 NUXSTIGXSDMANC-UHFFFAOYSA-N 450.518 2.397 30 10 JEEE C=CCn1c(C(=O)N2CCC(N(C)C)CC2)cc2c(NCc3ccc(S(N)(=O)=O)cc3)ncnc21 1875230371 WOBXATYLXQPZGD-UHFFFAOYSA-N 497.625 2.043 30 10 JEEE COCC1(C(=O)NCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CN(C(=O)OC(C)(C)C)C1 2185168016 SOPZKLISEIULET-UHFFFAOYSA-N 460.380 2.486 30 10 JEEE CC(C)(C)OC(=O)NCC[S@@](C)(=O)=NC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2247834481 WLEXPHULHDHXNI-SSEXGKCCSA-N 459.399 2.205 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CC[S@@](=O)(=NC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2255644624 KNPNFLFKAOMXCE-VEWZGRNOSA-N 471.410 2.348 30 10 JEEE CC[C@H](CNC(=O)OC(C)(C)C)NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2255795285 UNNFMQZJFVIORR-CYBMUJFWSA-N 475.442 2.165 30 10 JEEE Cc1csc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)c1B1OC(C)(C)C(C)(C)O1 2255836909 HALKKARAMBAUIP-UONOGXRCSA-N 452.382 2.066 30 10 JEEE CC1(C)OB(c2ccc(C(=O)N[C@H]3COCCN(C(=O)OCc4ccccc4)C3)o2)OC1(C)C 2255844644 ABVCMQXDCDLLLC-GOSISDBHSA-N 470.331 2.346 30 10 JEEE CN(C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCN(C(=O)OCc2ccccc2)C1 2256063430 VOMAVPBTECLGJD-SFHVURJKSA-N 466.347 2.259 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)sc1CN(C)C(=O)[C@@H](CO)NC(=O)OC(C)(C)C 2256624683 OWAGXYSWMAXDPO-CQSZACIVSA-N 454.398 2.200 30 10 JEEE Cc1nc(S(=O)(=O)N(C)CCCOCc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)n1C 2267707137 LUAFQIYVPINZDV-UHFFFAOYSA-N 463.409 2.255 30 10 JEEE C[C@H](COCC(=O)N=c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)[nH]1)NC(=O)OC(C)(C)C 2268612835 MGEXEJFQDKEKSL-CYBMUJFWSA-N 469.775 2.324 30 10 JEEE Cc1csc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2268628742 MEEMMTONGYTUKZ-CABCVRRESA-N 466.409 2.342 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)N(C)[C@@H](C)c1nscc1B1OC(C)(C)C(C)(C)O1 2268651931 CMLFGGPPSNOWPN-HEHGZKQESA-N 469.413 2.236 30 10 JEEE C[C@H](NC(=O)[C@@H]1COC[C@@H]1NC(=O)OC(C)(C)C)c1nscc1B1OC(C)(C)C(C)(C)O1 2268699182 SFUCXGORGJGIFS-GUTXKFCHSA-N 467.397 2.159 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@](CO)(NC(=O)c2ccc(F)c(B3OC(C)(C)C(C)(C)O3)c2)C1 2281785898 QQJKDEANQULQMK-QHCPKHFHSA-N 464.343 2.227 30 10 JEEE Cc1c(C(=O)N2C[C@@H]3CN(Cc4ccccc4)C[C@H]3C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281988020 GQOUWCSQPWGFKX-PMACEKPBSA-N 450.392 2.232 30 10 JEEE Cc1c(C(=O)NC[C@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281992011 IHBKPBSXLPCAGT-ZBFHGGJFSA-N 462.400 2.403 30 10 JEEE Cc1nn(C)c(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]3C[C@@H]32)c1B1OC(C)(C)C(C)(C)O1 2281992021 IODVCIYJOVHWLS-OAGGEKHMSA-N 460.384 2.155 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N=[S@@](C)(=O)C[C@H](C)NC(=O)OC(C)(C)C)n1 2281995788 HLVCVDZYYBQSLJ-UUBFPDNSSA-N 484.428 2.353 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H](C)CC1CN(C(=O)OC(C)(C)C)C1 2282056410 RQMAVJHFSSAKGU-AWEZNQCLSA-N 462.400 2.403 30 10 JEEE CCc1nc(C(=O)N2C[C@@H](O)C[C@@H]2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2282143699 YJXOZGSHZWHLOV-KGLIPLIRSA-N 481.424 2.105 30 10 JEEE C[C@@H]1C[C@H](CNS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CN1C(=O)OC(C)(C)C 2282354140 MVDOJQJEWKXXAI-HZPDHXFCSA-N 481.424 2.305 30 10 JEEE Cc1nc(S(=O)(=O)N(Cc2ccccc2)[C@H](CO)C(C)C)c(B2OC(C)(C)C(C)(C)O2)n1C 2282509872 QNQVWZFGMNBIOI-LJQANCHMSA-N 477.436 2.236 30 10 JEEE Cn1cc(C(=O)N[C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)c(B2OC(C)(C)C(C)(C)O2)n1 2282591678 SSKXBGWKKQNSBN-QKNQBKEWSA-N 450.392 2.360 30 10 JEEE Cc1c(C(=O)N(C)CCC2CN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282594205 BJMHCSKJHPFYIR-UHFFFAOYSA-N 462.400 2.357 30 10 JEEE C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCCN1C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2282614597 JUHABZZWFHEWSN-HUUCEWRRSA-N 463.388 2.022 30 10 JEEE C[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)N(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)C1 2282629046 REESBVUXQXPAOV-HZPDHXFCSA-N 462.400 2.485 30 10 JEEE C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CN(C(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)CCO1 2282665361 PCRCHJGXLBGFMQ-NVXWUHKLSA-N 461.368 2.135 30 10 JEEE CCO[C@@H]1C[C@H](NC(=O)OC(C)(C)C)[C@H]1NC(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282675714 AQDHDTPMYYMFPD-RCCFBDPRSA-N 461.368 2.181 30 10 JEEE CC1(C)OB(c2ccc(C(=O)N3C[C@H]4CC[C@H]3[C@@H](NC(=O)C(F)(F)F)C4)nc2)OC1(C)C 2282686002 MZXQYMFCQQSHMV-RCBQFDQVSA-N 453.270 2.052 30 10 JEEE CC(C)N(CCCNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)C(=O)OC(C)(C)C 2282862966 LATKTZIFHXSEIF-UHFFFAOYSA-N 486.444 2.033 30 10 JEEE COc1ccc([C@@H]2C(=C(O)c3c(C)n[nH]c3C)C(=O)C(=O)N2CCCN2CCOCC2)cc1 2296618202 GQXQMKBRWZWCLS-OAQYLSRUSA-N 454.527 2.179 30 10 JEEE O=C1CSC(=O)N1CCNC(=S)NN=Cc1cc(Cl)cc(Br)c1O 2330469914 YBDMCWFMFWAEOY-UHFFFAOYSA-N 451.755 2.302 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1[C@H]2C[C@@H](CN(C(=O)[C@H]3C[C@@H]3B3OC(C)(C)C(C)(C)O3)C2)[C@H]1CO 2334263862 PNSBXJIUVZODAZ-WJWMFLMHSA-N 450.385 2.449 30 10 JEEE C=CCn1c(=O)c2ccc(C(=O)NC(C)C)cc2n2c(=O)n(CC(=O)Nc3ccc(C)c(F)c3)nc12 64581527 SKDJYNXIIYRUSZ-UHFFFAOYSA-N 492.511 2.221 30 10 JEEE C=CCc1ccccc1OCC#CCNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 90731655 NEMYHOJUORNRRN-UHFFFAOYSA-N 454.548 2.248 30 10 JEEE C#CCN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1)[C@H]1CCc2ccccc21 108140609 SIWUHFHLVLWEKB-QFIPXVFZSA-N 455.555 2.281 30 10 JEEE CCCCCCCCO[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 248274627 RNGLREVZONTJLS-PVIWCNJMSA-N 460.520 2.447 30 10 JEEE in-vitro O=C(CON=Cc1ccc(Oc2ncccn2)cc1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 254736177 HZXKRLUCBUHCMY-UHFFFAOYSA-N 497.533 2.279 30 10 JEEE NC(=NO)c1ccccc1Cn1cnc(I)c1I 310664037 KYXLQYFHYAIKSY-UHFFFAOYSA-N 468.036 2.235 30 10 JEEE C=CCS[C@@]1(C=O)N=N[C@](S)(C=O)c2[nH]c(-c3nc4c(S)nnc(S)c4[nH]3)nc21 575629982 HUDDTMARIUEEMU-LSDHHAIUSA-N 464.583 2.339 30 10 JEEE CCc1nnc(NC(=O)C[S@](=O)CC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)s1 586347658 KHNCKVIURRJONW-XUQHIXODSA-N 451.599 2.484 30 10 JEEE CN(C(=O)c1cc(O)nc2ccc(S(=O)(=O)N3CCOCC3)cc12)c1ccc(C#N)cc1F 608798738 FJFVSECLAZITPI-UHFFFAOYSA-N 470.482 2.249 30 10 JEEE CC#CC[C@@H](CO)NC(=O)[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 757486929 SJJCLFYBBOCUPW-KSFYIVLOSA-N 450.491 2.259 30 10 JEEE N#C[C@@H]1CN(S(=O)(=O)N2CCN(Cc3ccc(-c4ccccc4F)s3)CC2)CCO1 1184900658 FSAMKJXELWPPBH-MRXNPFEDSA-N 450.561 2.141 30 10 JEEE C=C(C)CONC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCN(C)CC1 1214196486 LUKVNUMBQKZGTP-UHFFFAOYSA-N 451.593 2.242 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCC(=O)N1CCOCC1 1286303895 FAAWTWXRDSIJBO-MSOLQXFVSA-N 460.579 2.057 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CC2(C)C)c1 1286311575 NYJXYORDTPBSPL-ZWKOTPCHSA-N 455.584 2.283 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1Cc1ccc(OCCC)nc1)[C@H]1CCS(=O)(=O)C1 1286388082 XUTNTLHGNFBBNB-IBGZPJMESA-N 468.583 2.142 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1CCc1c(C)cccc1C)[C@H]1CCS(=O)(=O)C1 1286389896 SITTXJJGQQPLSI-IBGZPJMESA-N 450.568 2.221 30 10 JEEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1C[C@H]1CCCS1)[C@H]1CCS(=O)(=O)C1 1286394565 JOCYRJKRZIEBRF-FXAWDEMLSA-N 476.624 2.388 30 10 JEEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(OCCN2CCCC2)cc1 1286433625 YHJYGJZCOZKELV-UHFFFAOYSA-N 450.587 2.497 30 10 JEEE C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C[C@H](O)COc2ccccc2)CC1 1286584781 MHBHGXPNBHMWTK-FQEVSTJZSA-N 477.569 2.063 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)N2CCC[C@@H](C)C2)CC1 1286663691 OZNCRLHMXMNNSM-SBHAEUEKSA-N 480.679 2.134 30 10 JEEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(Cl)cc1 1288524795 HNQLGHBSCGPCKI-PBHICJAKSA-N 452.968 2.051 30 10 JEEE C[C@H](CC(=O)NCC(C)(C)N1CCc2ccccc2C1)/N=C1/NS(=O)(=O)c2ccccc21 1292150171 GHBGYQBMOVVXKD-QGZVFWFLSA-N 454.596 2.457 30 10 JEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1300421761 QTKLNQWPHBLCIT-UHFFFAOYSA-N 469.615 2.409 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1Cc1oc(CCC)nc1C)[C@@H]1CCS(=O)(=O)C1 1300488933 XMCOORRHVZLRMX-QGZVFWFLSA-N 456.572 2.208 30 10 JEEE C#CCN(c1nnc(CSc2ccc(Cl)cc2)n1CCCNC(C)=O)[C@@H]1CCS(=O)(=O)C1 1300504790 SGGKLHMACLRNLY-GOSISDBHSA-N 496.058 2.377 30 10 JEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CC(C)(C)NC(=O)OC(C)(C)C)CC1 1300707443 ZIHVWMUIYCIYJR-UHFFFAOYSA-N 470.622 2.198 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)c(Br)c2)n1CCS(=O)(=O)NC 1300790589 SVRJGNMXCTUHJG-LJQANCHMSA-N 482.404 2.258 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCCN1CCCC[C@H]1C 1300805889 KKHZKRSZERXKGV-ZFGGDYGUSA-N 492.690 2.258 30 10 JEEE C=C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1301095701 MJMMQDIFFLFIKB-GHVJWSGMSA-N 459.510 2.412 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1301576176 APQYNYCUQWTYKV-UWJYYQICSA-N 450.561 2.222 30 10 JEEE C[C@H](CC#N)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1nnc2n1CCCCC2 1303626981 AXOSJDGELKHZJW-MRXNPFEDSA-N 468.587 2.453 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1Cc1ccc(NC(=O)N(C)C)cc1 1303833408 HDTCKVWXRALRAI-MRXNPFEDSA-N 488.618 2.160 30 10 JEEE CCCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)CC2CC2)CC1 1313471170 DPKBJQXBSFHARI-UHFFFAOYSA-N 484.626 2.384 30 10 JEEE C#CCN(c1nnc(CSc2ccccc2OC)n1C[C@@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1358967409 JUOQXSOGQXOMSM-VGSWGCGISA-N 478.640 2.367 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@](C)(O)[C@@H](C)CC 1358979168 FFZDLDWMSIDRRC-JXQFQVJHSA-N 459.591 2.456 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(S(C)(=O)=O)CC1 1359103420 OAFPSPBVFJXWBP-OXJNMPFZSA-N 493.655 2.264 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CN2CCCCCC2)CC1 1359121657 AYHWVURZHJIOQV-NRFANRHFSA-N 480.679 2.280 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2ccc(F)c(F)c2)C1 1359313831 RTYKMFLEBJZIJT-ZBFHGGJFSA-N 455.531 2.191 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2sc3c(c2C(=O)OC)CCOC3)ccc1F 1461019218 BBMFQQWUOMYVOX-UHFFFAOYSA-N 454.501 2.463 30 10 JEEE COc1cc(OC)cc(C(=O)N2CCN(S(=O)(=O)c3c(F)cc(C#N)cc3F)CC2)c1 1462800211 BBHMOQFYXAFZKF-UHFFFAOYSA-N 451.451 2.000 30 10 JEEE COC[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1)OC 1504584804 DVEDKJIFKNQPEY-VXKWHMMOSA-N 454.575 2.375 30 10 JEEE C#CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(Cc2nc(COC)no2)CC1 1507580421 CTVBVMWBXXORCT-UHFFFAOYSA-N 456.938 2.259 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1Cc1ccc2c(c1)CCCO2)[C@@H]1CCS(=O)(=O)C1 1507623019 OBFGKGRLFQIQMN-OAQYLSRUSA-N 499.637 2.197 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H](CC(C)C)N(C)C)[C@H]1CCS(=O)(=O)C1 1507628369 WJGAXBPJBVRUGY-SFTDATJTSA-N 488.614 2.456 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@H]1OCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1507628471 WUOFHUAXULIDOH-UYAOXDASSA-N 458.584 2.396 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1CCCc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1507630773 HEXYCGYBNBERCG-LJQANCHMSA-N 466.567 2.003 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1507631453 PTJDOYLKUJIRII-MSOLQXFVSA-N 490.630 2.403 30 10 JEEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1CCC1(O)CCC1)[C@H]1CCS(=O)(=O)C1 1507640159 PYDZARMAZISUJV-SFHVURJKSA-N 479.002 2.442 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1Cc1sc(C)nc1C)[C@@H]1CCS(=O)(=O)C1 1507641010 XTEYKPFZHITEGF-LJQANCHMSA-N 496.618 2.477 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1507702233 SHFIDCKWDXRELE-QGZVFWFLSA-N 453.499 2.472 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cccnc2OCCOC)CC1 1507719847 FTPLGLTYMCIOJB-UHFFFAOYSA-N 457.538 2.040 30 10 JEEE C=CCn1c(COc2ccccc2F)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1508070689 DXFAWOXNRVWJFH-HXUWFJFHSA-N 458.582 2.413 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 1508138274 ZQHIHJMJMRKDNW-UHFFFAOYSA-N 478.619 2.378 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1508143138 JQHURMMESVLEDB-CZUORRHYSA-N 460.526 2.375 30 10 JEEE COCCN(CCC#N)c1nnc(-c2ccc3c(c2)OCO3)n1Cc1ccc(NC(C)=O)nc1 1519165933 CUYBAITWUULSIR-UHFFFAOYSA-N 463.498 2.442 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@]2(O)CCC[C@@H]2C)c1 1539038529 RDJSAOQTCIUSHH-AVRWGWEMSA-N 464.570 2.121 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)Nc3nc4n(c3C(=O)OC(C)(C)C)CCOC4)cc2C1=O 1539136965 JLLUJQQAAAWFNH-UHFFFAOYSA-N 452.467 2.403 30 10 JEEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1ccc(N2CCOCC2)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1539203286 OXQRQGHVWDSRBA-AZUAARDMSA-N 489.617 2.442 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1cccc(C(=O)N[C@H](C)CC)c1)[C@H]1CCS(=O)(=O)C1 1539216753 WSQSYLGNZYJKMD-NQIIRXRSSA-N 494.621 2.477 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCC1(COC)CCCC1)[C@H]1CCS(=O)(=O)C1 1539230376 GHYGDCMURJVEBZ-RBUKOAKNSA-N 450.605 2.353 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)N2CCCC2)n1CC(C)(C)N1CCOCC1 1539383941 PYBNIQHCFININH-UHFFFAOYSA-N 468.577 2.404 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCCSC1 1539399732 RPYQPXYYYWOSRT-GOSISDBHSA-N 477.656 2.425 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@]2(O)CCO[C@@H]2C)CC1 1539430242 IAKXXDAZRQPTBT-BPYKYCOYSA-N 453.587 2.330 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H](c2ccccc2)N(C)C)CC1 1539430804 OFWWOLFAWPSNEK-ZEQKJWHPSA-N 466.630 2.377 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@]2(O)CCO[C@H]2C)CC1 1539434887 XBHRRVMIQIVZGN-YCRPNKLZSA-N 478.366 2.142 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1[C@@H]1C[C@@H]1C 1540129175 SLWLXOVAMGLEPV-DBVUQKKJSA-N 456.572 2.256 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(F)c(Cl)c1 1540903494 FLPLFKQDLOUTIF-HNNXBMFYSA-N 491.010 2.210 30 10 JEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCc2cccc(F)c2[C@@H]1C 1540907408 VYJRKMBDEGTORH-INIZCTEOSA-N 461.563 2.264 30 10 JEEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1547253153 BBBHBVXQPSWYBD-UHFFFAOYSA-N 470.599 2.281 30 10 JEEE CCOC1CC(O)(Cn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@@H](COC(C)C)C2)C1 1548039358 DNMWVLAKUXWZGH-ZPGVXSSASA-N 455.559 2.377 30 10 JEEE CNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CCCC2)C1 1554420461 GGTUVKNJVXPPCQ-LJQANCHMSA-N 470.599 2.137 30 10 JEEE COCCN1C[C@@H](Cn2c(N3CCN(Cc4ccc(C#N)cc4)CC3)nnc2C(C)(C)C)CC1=O 1555576768 HKCUOBBJGHYFHR-QFIPXVFZSA-N 479.629 2.264 30 10 JEEE C=CCn1c(SCC(=O)N[C@@]2(C(N)=O)CCOC2)nnc1-c1ccc(Cl)cc1Cl 1557235684 MQNPQFAVIMRADF-SFHVURJKSA-N 456.355 2.291 30 10 JEEE C#C[C@@H](NC(=O)N[C@@H]1CCS(=O)(=O)C2(CC(C(=O)OC)C2)C1)c1ccc(Cl)cc1F 1565001967 FQELDYRCJKHPDI-UENRKNCJSA-N 456.923 2.352 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCOC[C@H]1CCOC1 1587638977 IHZDAIXVGPSLCO-ZCNNSNEGSA-N 477.606 2.488 30 10 JEEE C#CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](C(N)=O)C1 1587769426 HCMHPCZTYGIJNI-QZTJIDSGSA-N 460.579 2.092 30 10 JEEE C#CCCCCn1c(N2CCN(CC(=O)N(C)C)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1587793841 VJKCEZDWADXRGH-BGYRXZFFSA-N 487.649 2.063 30 10 JEEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 1587879371 SIEDPUJKFCBETF-SFHVURJKSA-N 455.588 2.398 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCC1=CCc2ccc(OC)cc21 1588181031 NEEWBFLFXCHYRK-GOSISDBHSA-N 467.595 2.390 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC(N(C)C(C)=O)CC2)nnc1[C@@]1(OCC)CCOC1 1589579975 NAKFHRJCNYTVKG-NHCICSSKSA-N 461.607 2.359 30 10 JEEE C=C(C)COCCn1c(-c2ccccc2Br)nnc1N1CCO[C@@H](C(=O)NC)C1 1593722607 UGWFQUWSTDOMKP-QGZVFWFLSA-N 464.364 2.252 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](CCC)C1 1594497832 MVNPSQNIIWDIOD-ROUUACIJSA-N 455.625 2.219 30 10 JEEE C=CCCCn1c(COc2ccc(OC)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1594767016 LMRCFUAMQJMCHF-LJQANCHMSA-N 454.531 2.305 30 10 JEEE C=CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCCN(C(=O)C(C)C)CC1 1595323933 GQWQUXLQELKOSJ-UHFFFAOYSA-N 459.620 2.427 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1C[C@H](C)OC(C)(C)C1 1595776770 FIACOYMNONBBRC-INIZCTEOSA-N 462.572 2.321 30 10 JEEE C=CCS(=O)(=O)CCn1c(CSc2ccccc2OC)nnc1N1CCO[C@@]2(CCOC2)C1 1595830588 DKWMWDBBANAWDO-QFIPXVFZSA-N 494.639 2.176 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cc(C(=O)N(C)C)ccc2OCC)s1 1621217341 VVMDBYYNLISYNS-UHFFFAOYSA-N 451.570 2.494 30 10 JEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@](C)(CO)c1cccc(C(F)(F)F)c1 1641775321 HJHSJWFRYJABNS-ORAYPTAESA-N 455.458 2.268 30 10 JEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1Cc1cccc(C(=O)N(C)C)c1 1690025598 XEMJDZFFMQXENG-UHFFFAOYSA-N 460.563 2.093 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCCC)CC1 1690145958 BSCQAQSGCSYQOS-IBGZPJMESA-N 474.606 2.352 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2CC2(O)CCCC2)CC1 1690152301 GSZCOYXMNIVUNU-UHFFFAOYSA-N 455.534 2.267 30 10 JEEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2nc(C)cc(OCC)n2)CC1 1690218466 HOVVELHRGQRXRO-UHFFFAOYSA-N 493.410 2.149 30 10 JEEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)CC(=O)N(C)[C@H](C)c1ccccc1 1690327980 BYUCYHFLXUUXFE-JKSUJKDBSA-N 469.011 2.297 30 10 JEEE CC[C@@H]1CCCCN1CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1694843749 GBTPOTDBCBNMNJ-OAQYLSRUSA-N 471.631 2.163 30 10 JEEE C#CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(CC(=O)NCC)CC1 1705511103 IPCOPTUKTFPYDR-UHFFFAOYSA-N 462.396 2.097 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H](C)N1CCN(CC)CC1 1705589793 WVZKVIULOWYTPC-OAQYLSRUSA-N 496.059 2.350 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCc1cnn(C)c1 1705595680 BMHYMMBOCUMVOB-UHFFFAOYSA-N 454.538 2.021 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCN1CCCC1 1705628421 GKKDBFGSQWJKCA-HXUWFJFHSA-N 476.622 2.158 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)CCCC(=O)NC 1705700823 YWWJFPGFZNFGRF-PXNSSMCTSA-N 489.646 2.182 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1ncn(C)n1 1705884772 XUPXIXKYSLGHFS-QGZVFWFLSA-N 460.583 2.208 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C[C@H]2CCCO2)CC1 1705935195 JOEOIAYZVUHXLT-GOSISDBHSA-N 495.596 2.049 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(c2cccc(O)c2)CC1 1705935973 HHORAQKJJHLOAV-HXUWFJFHSA-N 461.588 2.153 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1705937501 WHTGMLSLDMASLZ-IAGOWNOFSA-N 451.618 2.097 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1705938080 MJIPSBWWQNFVNX-UXHICEINSA-N 473.599 2.014 30 10 JEEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](c2nnc(C(C)C)o2)C1 1705948212 LFOQCFZIUPUUJL-MRXNPFEDSA-N 461.592 2.404 30 10 JEEE C[C@@H](CN1CCOCC1)Cn1c(-c2cccc(Br)c2)nnc1N1CCO[C@@H](C#N)C1 1706821187 HPLICKHXQSTRCQ-LPHOPBHVSA-N 475.391 2.405 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@H]1CCO[C@H](C)C1 1708751304 FNZPDHPKPQGBOE-MJGOQNOKSA-N 497.648 2.252 30 10 JEEE CCN(C)C(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1709908710 BUGXATLJLVWCMW-UHFFFAOYSA-N 478.532 2.068 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3noc4c3COCC4)n2C[C@@H](C)OC)c1 1722310040 RQFBECUYFOBUNS-OAHLLOKOSA-N 450.499 2.097 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1CCOc1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 1722362972 XUDSVUPLFQXXEJ-KRWDZBQOSA-N 472.958 2.094 30 10 JEEE C#CCN(c1nnc(-c2nnc(O)c3ccccc23)n1CCCOCC(C)C)[C@H]1CCS(=O)(=O)C1 1722366684 JAMFRPWEYXPOES-SFHVURJKSA-N 498.609 2.283 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1C[C@@]1(N2CCOCC2)CCSC1 1722423527 GZOPOUHKOROKDT-QFIPXVFZSA-N 477.034 2.287 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@@H]2CCOC2)CC1 1722448954 DOWFIZOOJDTVJP-FQEVSTJZSA-N 451.571 2.476 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCOc2ccccc2)CC1 1722450066 WAKMZITVPIKLNY-UHFFFAOYSA-N 461.570 2.185 30 10 JEEE C#CCSCCn1c(-c2cccc(Br)c2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1722451729 GXKJNLISJXUNFC-MRXNPFEDSA-N 461.389 2.288 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(OC)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1722494477 MWUMCGMEVWDKQC-RMEPHLEKSA-N 456.543 2.295 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OCc2ccccc2)CC1 1722553881 AQERDYNGFNBREB-GOSISDBHSA-N 479.990 2.392 30 10 JEEE C=C1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1722570133 VIWMEGGMXKRAHB-GOSISDBHSA-N 461.588 2.446 30 10 JEEE C=CCC(C)(C)Cn1c(CCc2ccccc2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1722589113 LGRJIRMZGVAXBZ-UHFFFAOYSA-N 492.628 2.132 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(Br)cc1 1722641232 XYFGFBOJSUHECB-KRWDZBQOSA-N 484.420 2.238 30 10 JEEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(N2CCSCC2)CCCC1)C1CC1 1722647740 YYVIKKPGORYKPA-KRWDZBQOSA-N 468.693 2.405 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1722693725 YMQWROVZDVSLGT-IBGZPJMESA-N 489.571 2.065 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 1722726833 ISZZFPYNOHKPTD-UHFFFAOYSA-N 493.655 2.047 30 10 JEEE CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2N(C)CCCC2(C)C)CC1 1729728405 HIHDGTQVPTVABW-HXUWFJFHSA-N 450.591 2.399 30 10 JEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2ccc(F)cc2F)C1 1740580672 FUXJXDVKHCNZQP-KBXCAEBGSA-N 453.515 2.158 30 10 JEEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CC1(OC)CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1740617940 ZDXOLDXKDGJGOL-PFADVTCBSA-N 494.658 2.152 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1740620332 VXMBWYLVSSCBDF-GOEBONIOSA-N 454.499 2.208 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1740621782 PAVXEWVAGDBQNM-SJORKVTESA-N 476.603 2.155 30 10 JEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1CCC(=O)N[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1740626325 UCSJQYAIGDICEU-PXNSSMCTSA-N 492.045 2.454 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H]1CCN(CCC)C1 1740637718 BSGJGBGXFYOLMW-HXUWFJFHSA-N 457.582 2.480 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1N1CCCCC1 1740671173 ANFLKNJAFJXMSQ-QFIPXVFZSA-N 486.642 2.109 30 10 JEEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1740714942 ALHIYCXTFIBRQE-XXBNENTESA-N 481.670 2.394 30 10 JEEE C=C(Br)Cn1c(N2CC[C@@H]3[C@@H](CC(=O)N3C)C2)nnc1[C@]1(OC(C)C)CCOC1 1740750383 POMJLINAPROSLI-YRNRMSPPSA-N 468.396 2.284 30 10 JEEE C=C(C)COCCn1c(-c2ccc3ccccc3n2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1740789531 GIPIBTPVCJSAMF-FQEVSTJZSA-N 450.543 2.427 30 10 JEEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1740817779 SSWDFLXMSDKATR-BZSNNMDCSA-N 452.987 2.337 30 10 JEEE C=CC[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)NC)CC1)c1ccccc1 1740854250 DYDPIXOSMIFAIO-PMACEKPBSA-N 472.615 2.002 30 10 JEEE C=CC[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(S(C)(=O)=O)CC1)c1ccccc1 1740854673 QZIVIQJAHSUKNU-HXUWFJFHSA-N 495.609 2.367 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 1740957393 MIOMGDTXPBINHU-INIZCTEOSA-N 470.603 2.313 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CC[C@@H](C(=O)N(C)c2ccccc2)C1 1740989730 WEZULEOFHPEYDB-LJQANCHMSA-N 482.610 2.374 30 10 JEEE CC(C)[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CC[C@](F)(C#N)C1)NC(=O)OC(C)(C)C 1741319538 CZUJQMQSKISHFW-ZHRRBRCNSA-N 463.558 2.392 30 10 JEEE CN(Cc1ccon1)c1nnc(COc2ccc(C#N)cc2)n1CC1(N(C)C)CCOCC1 1747810429 ICLAKPCXHQGVNX-UHFFFAOYSA-N 451.531 2.464 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCN1CCCCCC1=O 1748665185 OOOJUWBMNINIOW-GOSISDBHSA-N 461.570 2.443 30 10 JEEE C#CCCCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1748731744 KLZDPEAJNGBDSM-PKOBYXMFSA-N 484.988 2.249 30 10 JEEE C#CCN(c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCC(=O)NC)[C@H]1CCS(=O)(=O)C1 1748805064 NPYNVXVMFLHWKE-SFHVURJKSA-N 498.634 2.140 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2Cl)n1CC(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 1748808080 HRGIBNDDNBLDTF-OAHLLOKOSA-N 484.409 2.403 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H]1CCO[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1748808916 IPIWHJYHPYELEO-OTWHNJEPSA-N 488.610 2.404 30 10 JEEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1C[C@H](c1cccc(OC)c1)N(C)C 1748841985 COJKPABFHYEVHV-OAQYLSRUSA-N 460.538 2.390 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1749136628 PVJWFKJVAZGBOX-FXAWDEMLSA-N 498.550 2.277 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(=O)NCC(F)F 1749148006 WTPLIBKSGTTWTC-UHFFFAOYSA-N 469.562 2.330 30 10 JEEE COCC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1749278568 DAWYXPCBPMOHNV-UHFFFAOYSA-N 465.602 2.234 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OCc2ccccn2)cc1 1749488819 NAGPVQIIKLGOOE-QFIPXVFZSA-N 498.609 2.256 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1749678077 VLCLZYLHJUUFAS-OAQYLSRUSA-N 465.558 2.088 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CCN(c2nccc(OC)n2)CC1 1749680379 KMEAKIJBLXHPLD-UHFFFAOYSA-N 494.625 2.306 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)NC(CC)CC)nnc2N2CCN3C(=O)NC[C@H]3C2)cc1 1749683482 URYFXRWFTXWUPZ-IBGZPJMESA-N 467.574 2.023 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCCN(C(=O)Cc2cccc(F)c2)CC1 1749738683 UUDJAGFJWFPQJH-UHFFFAOYSA-N 489.617 2.252 30 10 JEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1760147646 WKKGHYSSMYRUMI-HXUWFJFHSA-N 471.627 2.311 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCc1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1760183797 RLUBLKYGYPBPBU-IBGZPJMESA-N 484.538 2.328 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](CC)N1CCc2ccccc2C1 1760248364 JXRZCAWVPCZVAK-YADHBBJMSA-N 450.587 2.152 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2CC2CCN(C(=O)OC)CC2)CC1 1760264733 WXNQZSRSKNXWHE-UHFFFAOYSA-N 466.586 2.399 30 10 JEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc(C)cc2)C(=O)C1 1760272352 HOGSDPQHMBOESC-UHFFFAOYSA-N 452.584 2.042 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@H](CN(C)CCC)C1 1760519958 VVNMEVXCLKJGFD-GOSISDBHSA-N 454.575 2.187 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H](C)N2CCOCC2)C1 1760537882 SJBMCEZZPLGVNF-UYAOXDASSA-N 457.575 2.464 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N(CC)C[C@@H]1COc2ccccc2O1 1760555609 IVLLJOZJFREBKT-RTBURBONSA-N 476.599 2.439 30 10 JEEE CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(F)cn2)CC1 1762054586 HVPGVEJVDJFJSY-GOSISDBHSA-N 476.560 2.436 30 10 JEEE CCCN(CC)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@H]2C1 1765990469 AAMZFYMYHFODPR-LJQANCHMSA-N 453.547 2.101 30 10 JEEE CCOc1ccc(O[C@H](C)c2nnc(N3CCO[C@H](C#N)C3)n2CC2(S(C)(=O)=O)CC2)cc1 1766032977 CFNUAFNEBHJQNH-VQIMIIECSA-N 475.571 2.123 30 10 JEEE CCNC(=O)C(C)(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(C#N)CC1 1767177911 FUZCRMLRTNYUMG-UHFFFAOYSA-N 472.619 2.140 30 10 JEEE COCCC1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H](CNS(C)(=O)=O)C2)CC1 1769581650 DCBVUYGXPFOZIW-IBGZPJMESA-N 472.615 2.399 30 10 JEEE N#C[C@@H]1CN(c2nnc(-c3cc(F)ccc3Br)n2CCCN2CCOCC2)CCO1 1771535851 AWQIYMNWDQKENW-MRXNPFEDSA-N 479.354 2.298 30 10 JEEE CS(=O)(=O)N1CCC(C(=O)N2CCOc3cc(NC(=O)c4cccc(C#N)c4)ccc32)CC1 1858478914 IYSIQUOOIPSFJL-UHFFFAOYSA-N 468.535 2.208 30 10 JEEE C=CCN(CC=C)C(=O)[C@H](CCCC)NC(=O)c1ccc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)cc1 1868641286 COCOJALPUPPWFW-SFTDATJTSA-N 496.651 2.137 30 10 JEEE N#Cc1nnn(-c2ccc(F)c(F)c2)c1NC(=O)c1ccc(N2C[C@@H](C(=O)O)CC2=O)cc1 1870150297 BIGRIAWUAQTBMM-LBPRGKRZSA-N 452.377 2.107 30 10 JEEE C=CCOc1cn(CCCN2CCOCC2)c(CN2CCN(c3ccccc3OC)CC2)cc1=O 1870385495 ZYHOIWLVUOUDDK-UHFFFAOYSA-N 482.625 2.466 30 10 JEEE CCOc1ccc(/C=N/Nc2cnn([C@H]3CCS(=O)(=O)C3)c(=O)c2Br)cc1OC 1873526990 GFIFYTCPPXXEMP-QOJWJBQSSA-N 485.360 2.219 30 10 JEEE NC(=O)CSc1nnc([C@@H]2CC(=O)N(Cc3ccccc3)C2)n1/N=C/c1ccc([N+](=O)[O-])cc1 1874210216 NRCSBNHIUATKJL-SCWWFSKWSA-N 479.522 2.162 30 10 JEEE CC(=O)NCc1nnc(SCC(=O)Nc2ccc(F)cc2)n1/N=C/c1ccc2c(c1)OCCO2 1874431891 DBIDZUFNVHBULL-OPEKNORGSA-N 484.513 2.438 30 10 JEEE O=C(C[C@H]1CSc2nc3c(cnn3-c3ccccc3)c(=O)n21)NCC#CCN1CCCCC1 1889844271 WGIWOLYAJHJUEV-IBGZPJMESA-N 462.579 2.225 30 10 JEEE CC(C)N1C(=O)CS[C@@H](C(=O)N(C)C2CN(c3cnccn3)C2)[C@@H]1c1ccc(C#N)cc1 1890394647 IIWISOVESNESAZ-FCHUYYIVSA-N 450.568 2.089 30 10 JEEE CC(C)N1CCN(CC#CCOC2CCN(S(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])CC2)CC1 1890664123 FRQAEYSVNOMLBL-UHFFFAOYSA-N 499.033 2.447 30 10 JEEE N#Cc1cc(C(=O)Nc2c(I)ncnc2I)ccn1 2121024630 FJNGNCNBUZTSBR-UHFFFAOYSA-N 477.003 2.205 30 10 JEEE CC(C)(C)OC(=O)N[C@H](C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1)[C@H](O)C(C)(C)C 2192859964 MQLLESVNODXPSE-GJZGRUSLSA-N 464.372 2.015 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(Cl)s2)C1 2255840391 MFMREJXDZCQNGD-CHWSQXEVSA-N 472.800 2.411 30 10 JEEE CC1(C)OB(c2nccnc2C(=O)NC2CCN(C(=O)OCc3ccccc3)CC2)OC1(C)C 2256067838 UIOUGSHSEKDAHV-UHFFFAOYSA-N 466.347 2.307 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@@](C)(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2256620820 NHNKVLNMGBNYCO-HXUWFJFHSA-N 452.386 2.235 30 10 JEEE CC(C)(C)OC(=O)NCCOCCNC(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1F 2266976929 UWAASQHGMULWMR-UHFFFAOYSA-N 452.332 2.396 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@@](O)(CNC(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267003972 XBZVYFBOCZILGL-JOCHJYFZSA-N 450.341 2.071 30 10 JEEE CC1(C)OB(c2cnsc2C(=O)N2C[C@H]3[C@@H](C2)OCCN3Cc2ccccc2)OC1(C)C 2267165026 ZGWYDHUFXYNWHZ-RBUKOAKNSA-N 455.389 2.168 30 10 JEEE C[C@H]1CN(S(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1NC(=O)OC(C)(C)C 2267474218 QUCILGMWGYONAG-KBPBESRZSA-N 487.453 2.117 30 10 JEEE Cc1csc(C(=O)NCCC2(O)CN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267540611 YNDWKNPBFJEZLJ-UHFFFAOYSA-N 466.409 2.457 30 10 JEEE C=C(CS(=O)(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)C2(CC2)CO1)B1OC(C)(C)C(C)(C)O1 2267725873 GJWXLJMHDZOTGM-MRXNPFEDSA-N 472.413 2.262 30 10 JEEE CN(CCCNC(=O)OC(C)(C)C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(O)cc1O 2267813178 MTTFGXSITKRSCA-UHFFFAOYSA-N 450.341 2.384 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](CC(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C(C)(C)C1 2268716444 UYQLVPSVYDFSMR-ZDUSSCGKSA-N 466.413 2.481 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1[C@H]2C[C@@H](CN(c3cc(B4OC(C)(C)C(C)(C)O4)ccn3)C2)[C@H]1CO 2280767806 IJTZCLUHJOPDSZ-JSFADZTLSA-N 459.396 2.339 30 10 JEEE CC(C)(C)OC(=O)N1CCC(NC(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)(C(N)=O)CC1 2282201669 UVCOAOUUVMALPB-UHFFFAOYSA-N 479.408 2.032 30 10 JEEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)[C@H]2CC[C@@H]21 2282299832 XAPQJXOSZUIJRZ-ROUUACIJSA-N 479.408 2.153 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](NS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1(C)C 2282353423 VIMJUFRNHHMENA-QGZVFWFLSA-N 481.424 2.447 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N[C@@H]2CCCN(Cc3ccccc3)CC2)n1 2282488010 ABADNPPOMHKTMW-LJQANCHMSA-N 474.436 2.052 30 10 JEEE Cc1nc(S(=O)(=O)NC2(CCOCc3ccccc3)CC2)c(B2OC(C)(C)C(C)(C)O2)n1C 2282506753 WZHBRYCPOZJLHJ-UHFFFAOYSA-N 475.420 2.446 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@]23CCC[C@@H]2CN(C(=O)OC(C)(C)C)C3)n1 2282551907 GSUNHFVZPHFHLT-IQMFZBJNSA-N 460.384 2.239 30 10 JEEE Cn1ncc(C(=O)N2C[C@H]3C[C@@H](CN(Cc4ccccc4)C3)C2)c1B1OC(C)(C)C(C)(C)O1 2282565385 JDSVCTGIQBCCQR-PMACEKPBSA-N 450.392 2.313 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CCC[C@H]2NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2282579913 LUFNLXSGAQRACH-ARFHVFGLSA-N 460.384 2.474 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1[C@H]2C[C@@H]2CN1C(=O)OC(C)(C)C 2282610597 YWQSYSYQLNBTHA-HLLBOEOZSA-N 460.384 2.187 30 10 JEEE Cn1nc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)OC(C)(C)C)C3)cc1B1OC(C)(C)C(C)(C)O1 2282611916 QAMBIEUOBOSARY-MUJYYYPQSA-N 460.384 2.380 30 10 JEEE C=C(CS(=O)(=O)N1CCC(N2CC(NC(=O)OC(C)(C)C)C2)CC1)B1OC(C)(C)C(C)(C)O1 2282871819 MGYSSTCVERMEMO-UHFFFAOYSA-N 485.456 2.177 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](C2(NC(=O)c3nccnc3B3OC(C)(C)C(C)(C)O3)CC2)C1 2283064904 YKBCLHDBIJRIAP-OAHLLOKOSA-N 458.368 2.295 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)[C@H]1C1CC1 2283069312 QVBZDBCVERMZFJ-NVXWUHKLSA-N 458.368 2.294 30 10 JEEE COC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2cc(B3OC(C)(C)C(C)(C)O3)ccc2C1 2283926112 JLFADQAATFZUNA-IBGZPJMESA-N 460.380 2.410 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1[C@H]2CC[C@H]3[C@@H](C2)[C@@]13C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2284128681 GHCSVTYKGQIOEA-IZUJYSARSA-N 476.408 2.137 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H]3C[C@@]3(CNC(=O)OC(C)(C)C)C2)n1 2288261553 UASQBMXMACUQDV-IQMFZBJNSA-N 460.384 2.189 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCOC2(CN(C(=O)OC(C)(C)C)C2)C1 2288585307 CEDTWDBYROXECZ-UHFFFAOYSA-N 479.408 2.213 30 10 JEEE Cc1nc(I)c(I)n1C[C@](N)(C#N)[C@@H]1C[C@H]1C 2307812776 XKDIGVNTMZNIBM-AZTOOPQRSA-N 456.069 2.278 30 10 JEEE CC#CCN(CC(=O)N1CCC[C@](O)(CN(C)C(=O)OC(C)(C)C)C1)C(=O)OC(C)(C)C 2316017191 REQFXNXPODSTEU-QHCPKHFHSA-N 453.580 2.467 30 10 JEEE CCOc1cc(C=NNC(=S)NCCN2CCOCC2)cc(Br)c1OCC 2323044494 VYLVLEIWJGBXSM-UHFFFAOYSA-N 459.410 2.377 30 10 JEEE CC[C@H](CN(CC)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C)NC(=O)OC(C)(C)C 2337203348 WMHBBWWGMXGVGB-OAHLLOKOSA-N 450.389 2.485 30 10 JEEE COc1cccc(/C=N/Nc2nnc(SCC(=O)Nc3ccc(OC)c(OC)c3)n2N)c1 20293134 KOTSOPQSUSKHPI-SSDVNMTOSA-N 457.516 2.195 30 10 JEEE C/C=C/C[C@@H](C)[C@@H](OC(C)=O)[C@@H](C=O)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC)C(C)C 96029764 JAUFAMFQTMVIEO-BCZYJOLXSA-N 453.624 2.321 30 10 JEEE in-vitro C=CCNC(=O)CN1CCN(C(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)CC1 516846887 WCSRNQWLNFLAGO-UHFFFAOYSA-N 477.590 2.349 30 10 JEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccc(OC(C)C)cc1 729672547 UBXWBSVNOBRMIN-UHFFFAOYSA-N 485.569 2.139 30 10 JEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)[C@@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)c1 749505348 PECZWRMURUWGQH-HSZRJFAPSA-N 491.563 2.480 30 10 JEEE CCc1nnc(CNC(=O)CSc2n[nH]c(NN=Cc3cccc(Br)c3)n2)o1 1084356194 KKLQWFVFCOVCEB-UHFFFAOYSA-N 465.337 2.367 30 10 JEEE C#CCn1ccc(CN(CC)S(=O)(=O)c2cc(C(=O)OC)cc(F)c2Br)n1 1189897153 RFIJNOARBWPKEL-UHFFFAOYSA-N 458.309 2.415 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccc(OC)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 1286398904 SULXDJICLVLUEH-QFBILLFUSA-N 464.975 2.467 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1Cc1cccc(NC(=O)[C@H]2CCCO2)c1 1286438628 GPJWXVPWELPGNV-JOCHJYFZSA-N 457.538 2.307 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1CC(C)(C)N1CCc2ccccc2C1 1286460236 BSQURCVCXYZTMQ-UHFFFAOYSA-N 452.603 2.339 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccccc3Br)n2CC2([S@](C)=O)CC2)CC1 1286475705 HCYGLOTUQTZWGW-NDEPHWFRSA-N 462.417 2.374 30 10 JEEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1286505019 WAEYUNZCTQKNJX-UHFFFAOYSA-N 454.585 2.413 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CC(=O)NC(C)(C)C 1286546695 LDIPBWBQBRGXBZ-VQIMIIECSA-N 455.563 2.258 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](OC)[C@H](OC)C1 1286550462 CVFWCUMTXXWMOW-PBASOCQRSA-N 476.599 2.180 30 10 JEEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1286705639 BNCSRLYIDTZFHB-IRXDYDNUSA-N 450.584 2.358 30 10 JEEE C=CCCOCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCOC(C)(C)C1 1286708566 QQPFEILHUAGMDS-UHFFFAOYSA-N 463.604 2.403 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CCC(=O)N1 1286772389 CPKHQLXVMFAXEW-ZWKOTPCHSA-N 462.595 2.310 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC(NC(=O)c2ccc(F)cc2)CC1 1286788619 ZVAIXEDSQDVPCT-SFHVURJKSA-N 470.549 2.012 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Br)cc2)nnc1N1CCC[C@H](NC(C)=O)C1 1286792045 KWXUBCDODZHWOE-KRWDZBQOSA-N 491.390 2.027 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1c1ccccc1OC 1286821079 ZXNIOIHCPWMKJA-IEBWSBKVSA-N 494.639 2.131 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1C[C@@H](C)[C@H](C)C1 1286822692 NHELFVGCSHQOQS-FGZHOGPDSA-N 486.686 2.336 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1CCCC)[C@H]1CCS(=O)(=O)C1 1300484156 RMOPMBWABWXHCF-HNNXBMFYSA-N 454.394 2.473 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccc(OCC(C)C)cc1)[C@H]1CCS(=O)(=O)C1 1300496639 SPBBLXVHMVTCPG-RTWAWAEBSA-N 472.611 2.492 30 10 JEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1C[C@H](F)COC)[C@@H]1CCS(=O)(=O)C1 1300499068 PAYMYBVTGVAFRI-ZWKOTPCHSA-N 454.955 2.134 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1c(C)nn(C)c1C)[C@H]1CCS(=O)(=O)C1 1300504980 XCIWUNCXSOEFNF-QKNQBKEWSA-N 488.658 2.222 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1CCS(=O)(=O)C(C)(C)C 1300512777 MTZMAUUVMMFVNZ-UHFFFAOYSA-N 466.405 2.332 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccnc(-n2cccn2)c1 1300558883 FNRSHXXEELHJOB-RUZDIDTESA-N 459.554 2.411 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1OCC(C)C 1300577819 CEICEIJFAFORJK-QHCPKHFHSA-N 499.637 2.157 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H]2CCC(F)(F)C2)CC1 1300715828 FQXMNCZFKOMWIT-JTSKRJEESA-N 465.545 2.331 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCCc3ccccc3)n2CC2(S(C)(=O)=O)CCC2)CC1 1300729176 PEGYMWHMEGFOCC-UHFFFAOYSA-N 497.665 2.387 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2N(C)CCCC2(C)C)CC1 1300729198 QDLQPULYEQZYNW-JOCHJYFZSA-N 480.661 2.226 30 10 JEEE C#CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CCN2C(=O)OC[C@@H]2C1 1300741156 ODPIUSMXOWMMOI-AWEZNQCLSA-N 465.377 2.053 30 10 JEEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 1300984237 ZDGSUFCPOLSXFK-UHFFFAOYSA-N 451.506 2.316 30 10 JEEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1301137463 RQYFTOAMYLXWNB-DLBZAZTESA-N 454.641 2.184 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCCOC2)n1CC1(O)CCS(=O)(=O)CC1 1301403274 WZYLQACQBGYOJW-OAQYLSRUSA-N 474.627 2.347 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN(CCN2[C@H](C)CC[C@H]2C)CC1 1301508402 KANHKMJZGIKUMT-WOJBJXKFSA-N 471.675 2.227 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCN(c2nccc(OCC)n2)CC1 1301585708 NMGOSANUKIAVQS-UHFFFAOYSA-N 475.619 2.052 30 10 JEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N(C)Cc1cc(F)c(F)c(F)c1 1301587641 WIUDJGFMPALFDW-UHFFFAOYSA-N 471.505 2.055 30 10 JEEE CC(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)N2CCOCC2)C1 1301852392 CWNKFVOHQLOYNH-NRFANRHFSA-N 465.602 2.280 30 10 JEEE CCn1cc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(Cc2ccc(C#N)cc2)C2CC2)cn1 1313839977 BJXZQAOGOBHXPD-MRXNPFEDSA-N 468.587 2.194 30 10 JEEE CS(=O)(=O)CCCn1c(-c2cnccn2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1316346490 CUAUPDQWWQJPRB-UHFFFAOYSA-N 486.989 2.021 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@H]1CCCCS1(=O)=O 1358876665 OKVDFMFYFJDUHN-NVXWUHKLSA-N 462.572 2.396 30 10 JEEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 1358910987 HVWKTRXFDQKCBV-HXUWFJFHSA-N 452.534 2.063 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1CC1CCN(CC(F)(F)F)CC1)[C@H]1CCS(=O)(=O)C1 1358961279 VRRCNXWNDKODOC-SFHVURJKSA-N 498.575 2.185 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1Cc1cn(CCCCC)nc1C)[C@H]1CCS(=O)(=O)C1 1358961348 WWGBJTVEQQTTES-FQEVSTJZSA-N 482.614 2.105 30 10 JEEE C#CCN(c1nnc(COc2ccccc2CC)n1C[C@@H]1CCN(CC)C1)[C@@H]1CCS(=O)(=O)C1 1358967823 TUNWXONMFRWKDM-IFMALSPDSA-N 485.654 2.388 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C(C)(F)F)cc1 1359024419 MOKVTNYJQXDWKL-KRWDZBQOSA-N 452.527 2.426 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2Cc2nnc(CC)s2)CC1 1359028434 RVNUFCUHTYXIPS-UHFFFAOYSA-N 464.599 2.365 30 10 JEEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cc2ccccc2[nH]1 1359056992 PPRPRLDNZSDHQR-HXUWFJFHSA-N 488.639 2.095 30 10 JEEE C=C(C)Cn1c(COc2ccccc2OCC)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1359124505 JMOJCOINBREMKC-UHFFFAOYSA-N 482.585 2.103 30 10 JEEE C=C(Cl)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(C(=O)NCCC)CC1 1359145853 FJPLGRBGYVONLL-UHFFFAOYSA-N 455.954 2.416 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1359327653 HJISTKOGQXTKEB-SFHVURJKSA-N 480.034 2.358 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCN(c3cccc(OCC)n3)CC2)nnc1C(C)(C)C 1359335686 RRTFCGZVUPGMFC-UHFFFAOYSA-N 462.620 2.297 30 10 JEEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccc(C)cc2O[C@@H](C)CC(C)C)CC1 1469391962 UAZZMDGNWOPHMF-IBGZPJMESA-N 450.605 2.103 30 10 JEEE C=CCOc1cccc(NS(=O)(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)c1 1475134731 IXCDLBKIKMXBRX-UHFFFAOYSA-N 452.554 2.382 30 10 JEEE C[C@@H]1CN(C(C)(C)Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)C[C@@H](C)O1 1494093637 BYWSADRHPPXNTK-DBXWQHBBSA-N 486.642 2.328 30 10 JEEE CCCN(C)C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1500711629 HUCVPENBCNWUIX-PMACEKPBSA-N 456.616 2.420 30 10 JEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 1507557344 PWJBXBBGBJCGFL-QZTJIDSGSA-N 466.652 2.071 30 10 JEEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H]1c1nncn1C 1507588065 FHCACKBKMWXJAC-ROUUACIJSA-N 470.578 2.470 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1507626330 NNSXHJPDLFJLNU-IXDOHACOSA-N 450.536 2.219 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCOc1ncccc1Cl)[C@H]1CCS(=O)(=O)C1 1507630582 CPYAAWITCZKJIN-KRWDZBQOSA-N 486.985 2.403 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@@H]1N(C)CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1507634045 IKYKUNSTVIOHKG-PMACEKPBSA-N 490.699 2.381 30 10 JEEE C=C(Br)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)[C@H]1CCOC1 1507782324 AIYVZBZGSJPRRS-ZDUSSCGKSA-N 455.382 2.372 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 1508078346 YAWMTPFDZVPNFH-UHFFFAOYSA-N 461.570 2.490 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(c2nc(C)cc(OCC)n2)CC1 1508085578 IIZTXRFFQPRNLU-UHFFFAOYSA-N 494.575 2.134 30 10 JEEE CCOC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC(=O)N(CCOC)C2)C1 1516065371 FXQCYCYJBDPQQI-TZIWHRDSSA-N 495.584 2.027 30 10 JEEE C=C(C)C[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1)C(=O)OC 1535347388 RBLDFHGJVQWTOW-ZQIUZPCESA-N 458.964 2.376 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2CCN(CC)C2)c1 1539045896 JGSGMXMQIAULIK-DPLHUUCSSA-N 480.613 2.400 30 10 JEEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1C[C@H](F)COC)[C@@H]1CCS(=O)(=O)C1 1539230323 LTWJLJLLEVIZRX-RBUKOAKNSA-N 464.563 2.085 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H](N1CCOCC1)C(F)(F)F 1539399963 VSXOQDABQKTGCO-SFHVURJKSA-N 482.463 2.202 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccc(C)cc2)CC1 1539469606 SDHXACVSBUOJFM-RUZDIDTESA-N 451.571 2.253 30 10 JEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H]1CCCN(c2ccccc2)C1 1539497694 OEYJABHYCDDQAR-AZUAARDMSA-N 476.672 2.360 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CC)C[C@H]1COc2ccccc2O1 1539517380 MVJIYCNBGMCMDY-ROUUACIJSA-N 476.624 2.213 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC[S@@](=O)C(C)(C)C 1539548016 CXJONWQLCWIJPS-APYJYERMSA-N 452.588 2.460 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1539917000 QCHBMJCSBGAVSD-KRWDZBQOSA-N 489.602 2.412 30 10 JEEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ncnc3ccsc23)CC1 1540020387 UMXKRVPKAOHWBF-UHFFFAOYSA-N 470.603 2.340 30 10 JEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(Br)c1 1540858490 YWTLAZYCUGLCNE-INIZCTEOSA-N 470.393 2.196 30 10 JEEE C=CCNC(=O)Cn1c(N2C[C@H](C)O[C@@H](c3ccsc3)C2)nnc1[C@@]1(OCC)CCOC1 1540876689 YHXVQBYKRDSNPM-AQOAWAETSA-N 461.588 2.260 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCSC[C@H]1C 1540897262 FKKPXURJEHFGPZ-OAHLLOKOSA-N 484.047 2.404 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(F)cc2Br)nnc1N1C[C@@H]2OCO[C@@H]2C1 1540900013 ISLJEECAYOOKTE-IYBDPMFKSA-N 487.351 2.009 30 10 JEEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC(C)(C)NC(=O)OC(C)(C)C 1543315506 ACNYEEGRIKZAQL-OAHLLOKOSA-N 455.567 2.267 30 10 JEEE CCN(CC)C(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCN2CCCO)CC1 1547417353 ALHLGMXHGFEZKR-QHCPKHFHSA-N 494.644 2.247 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCn1cc([C@H]2CCOC2)cn1 1587579595 IILZBQNCCBEZAP-ICSRJNTNSA-N 497.625 2.054 30 10 JEEE C#CCN(c1nnc(-c2cc3ccccc3o2)n1CCCNC(=O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1588041082 UPFFEKDRVKEGME-LJQANCHMSA-N 483.594 2.480 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1CCOC[C@@H]1OC 1588186544 YTLLVOMYVCZZGM-UXHICEINSA-N 484.626 2.061 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2cc(C)cc(OC)c2)CC1 1588751487 LBZKNOJVMAGQOU-VWLOTQADSA-N 453.587 2.439 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(Cc3ccsc3)n2CCS(=O)(=O)N2CCSCC2)C1 1595738274 NVKCXYHOAHQVRS-SFHVURJKSA-N 483.685 2.090 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1595772984 LIKZFQZTIVHGOP-BYICEURKSA-N 451.980 2.192 30 10 JEEE C=CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(CCOC)[C@H](C)C1 1595871131 HJWXSNHVQLEEFL-GOSISDBHSA-N 483.642 2.268 30 10 JEEE C=CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)OC)CC1 1595900421 ANPPLXVYCUWORM-UHFFFAOYSA-N 450.590 2.077 30 10 JEEE CCN(C[C@@H]1CCCO1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1615562831 BEJAIBWEMIIOSI-QUCCMNQESA-N 458.588 2.104 30 10 JEEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@H]2CCCOC2)c1 1617705730 FELUMBWUDWZBDN-HRAATJIYSA-N 462.551 2.064 30 10 JEEE C=CCn1c(SCC(=O)N2CCC(OC)(OC)[C@@H](O)C2)nnc1-c1ccc(Cl)cc1 1627280516 RWCVNGKPIUZJPO-INIZCTEOSA-N 452.964 2.459 30 10 JEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(c2nccc(N3CCOCC3)n2)CC1 1630622133 LGAONVKYRHAIKM-IBGZPJMESA-N 457.575 2.326 30 10 JEEE C[C@@H](CC(=O)N1CCC(O)(Cc2ccccc2F)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1634349125 IBFDIAFYPVGPFI-INIZCTEOSA-N 459.543 2.239 30 10 JEEE C#CCCCCn1c(N2CCN(CCOC)C(=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1689906089 HSLYVIDQHCCQLE-KDURUIRLSA-N 474.606 2.147 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H](C)COC)[C@H]1CCS(=O)(=O)C1 1689977920 HELINXLCWYRRRM-UZLBHIALSA-N 473.599 2.056 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Cl)n1CCNC(=O)c1ccco1)[C@@H]1CCS(=O)(=O)C1 1689985837 CKRBDDQJWPOIOX-MRXNPFEDSA-N 487.969 2.248 30 10 JEEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1Cc1cccc(CN2CCOCC2)c1 1690061401 WXPPQDMXVMFKEN-VWLOTQADSA-N 453.587 2.270 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[C@H]2CCO[C@H](C)C2)CC1 1690114603 ABOJSYPARVKALH-UXHICEINSA-N 471.627 2.309 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3ccc4ccccc43)n2CCC(=O)NCCC)CC1 1690150841 XTRDMKUVTFVYSI-UHFFFAOYSA-N 475.597 2.163 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccc1 1690245286 GOCDSLLOXPXFTN-ACRUOGEOSA-N 475.615 2.229 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2ccccc2Cl)C1 1690287999 CMCRZEFXHZSVDL-RTBURBONSA-N 482.006 2.418 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(F)c(C(F)(F)F)c1 1690669722 MZNGAZWYPVCBFV-HNNXBMFYSA-N 454.428 2.326 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1690676297 VTRSYHVJSJURKM-UHFFFAOYSA-N 486.580 2.369 30 10 JEEE C=CCOc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@H](C)C2)cc1 1690680266 NHSGJGBLJFRUOT-FXAWDEMLSA-N 461.588 2.070 30 10 JEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](Oc2ccccc2)C1 1690729582 RLKKGGPFVDSIQS-HXUWFJFHSA-N 473.599 2.049 30 10 JEEE COC(=O)N1CCC(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCO[C@@H](C)C2)CC1 1697072463 CLDWUAMIGGHWIR-KRWDZBQOSA-N 454.531 2.432 30 10 JEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(F)c(F)c1 1705517639 ZWGMXMUAVWSWNX-IBGZPJMESA-N 467.542 2.329 30 10 JEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1705526668 NTPQQZLNERLZAB-JKSUJKDBSA-N 452.602 2.020 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@](C)(O)[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1705562959 NOKQLQNYEFENFV-NYDSKATKSA-N 455.584 2.241 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1CCCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1705564556 PCZLZJOCTVLUBL-FQEVSTJZSA-N 452.584 2.475 30 10 JEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@]1(N(C)C)CCSC1 1705574466 DWFLLMBMDXNONK-QHCPKHFHSA-N 485.683 2.057 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CCn2cncn2)CC1 1705643133 SXFRBJFBNPDNPN-UHFFFAOYSA-N 461.357 2.211 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CC[C@H]2CCO[C@H](C)C2)CC1 1705650278 OBSZRVZQODUGNC-UXHICEINSA-N 450.587 2.435 30 10 JEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(O)(c2ccccc2)CC1 1705819329 JQSUFSBBOUXWJN-FQEVSTJZSA-N 475.615 2.065 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1705933077 TWDFIQYJRLJYTD-JOCHJYFZSA-N 456.572 2.031 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N(C)CC1COC(C)(C)OC1 1705937286 PAVFQFNLTRPNBW-UHFFFAOYSA-N 469.633 2.070 30 10 JEEE CC(C)(C)NC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1706154000 GMTOQLLCKGTQSA-LJQANCHMSA-N 488.614 2.047 30 10 JEEE Cc1cc([C@@](C)(O)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(CC#N)CC2)c(C)o1 1707042377 GSLYAGFFJIIXNN-BTYIYWSLSA-N 464.592 2.136 30 10 JEEE CCCS(=O)(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nnc(C)s2)CC1 1709884306 CJAAOYPPKSRNSP-UHFFFAOYSA-N 486.627 2.323 30 10 JEEE CCN1CCN(C[C@@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(CCOC)[C@H](C)C2)CC1 1710292453 COOYLYMRDBTQAA-DHIUTWEWSA-N 494.688 2.247 30 10 JEEE C#CCCCCn1c(-c2cnccn2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1722314338 LXUHLULZNFSDKL-FQEVSTJZSA-N 450.591 2.062 30 10 JEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CC(C)(C)c1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 1722359294 RPAZQZCQTPABLA-FQEVSTJZSA-N 499.637 2.127 30 10 JEEE C#CCN(c1nnc(-c2ccc(OCCC)c(OC)c2)n1Cc1ccn(C)n1)[C@@H]1CCS(=O)(=O)C1 1722360786 CBBWMFKUKFDEJO-HXUWFJFHSA-N 498.609 2.151 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1CCN1CCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1722366968 UHLCOTPIQJNJSC-UYAOXDASSA-N 459.591 2.119 30 10 JEEE C#CCN(CC#CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCOCCCO 1722400514 RPQUFNHJPHXHQM-UHFFFAOYSA-N 459.591 2.255 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1722434093 JNOJQOWTBDZNMD-INIZCTEOSA-N 497.452 2.289 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCCc2ccc(OC)cc2)CC1 1722449715 OPCYFGCSNUBFOH-UHFFFAOYSA-N 478.597 2.008 30 10 JEEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N1CCC(NC(=O)C(C)C)CC1 1722532111 BWXNTTCPAHLZMP-UHFFFAOYSA-N 458.563 2.340 30 10 JEEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1722533777 AOJRGUNROGXZTB-FQEVSTJZSA-N 451.618 2.242 30 10 JEEE C=CCN(c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCc1ccn(C)n1)C1CC1 1722645782 ZMRVZFADYATQGM-UHFFFAOYSA-N 455.588 2.326 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(N(C)C)CCC[C@@H](C)C1 1722681794 SMTWTAPVSPQNBJ-KNKQGSTJSA-N 453.653 2.330 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](O)CC2(CCCC2)C1 1722693604 USDSWPFBFVIVJF-OAHLLOKOSA-N 463.380 2.469 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1722695871 SNYWODOUJVKRHY-FQEVSTJZSA-N 467.954 2.055 30 10 JEEE Cc1noc([C@@H](C)N2CCN(c3nnc(-c4cccc(C#N)c4)n3CCC(=O)NC(C)C)CC2)n1 1726419497 FOAGWZZNLBHOSJ-QGZVFWFLSA-N 477.573 2.306 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1c(C)nn(-c2ccccc2)c1C 1740532464 GIUYHIVDMRBYKR-DOTOQJQBSA-N 455.588 2.197 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2CC(C)(C)N2CCOCC2)c1 1740564313 JDJUBIULABULQG-UHFFFAOYSA-N 487.608 2.431 30 10 JEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1740581499 ZDAXKYSJSMXPSZ-IKGGRYGDSA-N 468.624 2.041 30 10 JEEE C#CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1Cc1ccc(C(N)=O)nc1 1740609969 QWOXQVGPWYURCQ-UHFFFAOYSA-N 453.547 2.004 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1csc([C@@H](C)OC)n1)[C@H]1CCS(=O)(=O)C1 1740623303 REFPBCBGGTUPJJ-AEFFLSMTSA-N 486.623 2.487 30 10 JEEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1C[C@@H]1CC=CCO1)[C@H]1CCS(=O)(=O)C1 1740627173 FCYOUBAJYOCWSP-SFTDATJTSA-N 470.595 2.446 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2oc(CCC)nc2C)CC1 1740705882 NOTMULLZATXXIB-LJQANCHMSA-N 454.575 2.435 30 10 JEEE C=C1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCS(=O)(=O)NC)CC1 1740824820 CKDZOSNKSOZHSZ-UHFFFAOYSA-N 468.624 2.098 30 10 JEEE C=C1CCN(c2nnc(Cc3ccc(F)cc3)n2CCNS(=O)(=O)Cc2ccon2)CC1 1740826705 UIENOPYRYHFSIN-UHFFFAOYSA-N 460.535 2.272 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1740843316 DWJWBZIMCUVZFB-WOJBJXKFSA-N 481.711 2.095 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)N1CCOCC1 1740923569 PEXYFDYFZTYNRN-ZWKOTPCHSA-N 465.645 2.155 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1740951611 JHPQEEZXSMRKGV-SFHVURJKSA-N 485.564 2.197 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC[C@@H](Oc2ncccc2F)C1 1740962184 VMXUFWRKBUGOER-GOSISDBHSA-N 451.506 2.148 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C(C)C)C1 1740986454 YGNMLRIJJDTBCV-LJQANCHMSA-N 496.033 2.324 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1740989733 WJPGVHZQJIYXKM-KRWDZBQOSA-N 460.991 2.376 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC[C@H]1c1ccc(COC)o1 1740991678 BOSIQUDERSMDRC-AEFFLSMTSA-N 450.561 2.464 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC[C@@H]1CCO[C@@H](C)C1 1741674498 DRBAOPXBFWXPKC-RBUKOAKNSA-N 466.590 2.215 30 10 JEEE CC(C)OCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1741762516 FWSOJYDOGOTXDP-FQEVSTJZSA-N 488.614 2.158 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCN1C[C@H](C)O[C@H](C)C1 1748650566 AGWKTUSYIDSMJU-SLFFLAALSA-N 488.658 2.153 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2CC2([S@@](C)=O)CC2)c1 1748691487 GNMSGYQXPNHJRY-XKWLHOGNSA-N 499.637 2.286 30 10 JEEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(F)c(C)c1)[C@@H]1CCS(=O)(=O)C1 1748804491 IKHUFMDVBZPCPM-AUSIDOKSSA-N 476.574 2.053 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H](C)Oc1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 1748812407 VFKRCKDUNXGHEG-RTBURBONSA-N 466.567 2.138 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@@]2(C)CCCO2)CC1 1748977751 BLRDNXSYJABEHP-XMMPIXPASA-N 455.559 2.295 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC[S@@](=O)C(C)(C)C)CC1 1748979867 QGFZNSGSMQYTGN-JGCGQSQUSA-N 459.616 2.265 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@H]2CSCCS2)CC1 1749016365 BWZIHRYSWNBSJY-IBGZPJMESA-N 456.641 2.078 30 10 JEEE C=C(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1749169127 PGSMTPLQLDTMHD-HXUWFJFHSA-N 453.591 2.121 30 10 JEEE C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1749608209 SCKAOGOPTODVET-UHFFFAOYSA-N 450.385 2.212 30 10 JEEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1749652778 SEDJPHIEAMDXQB-PXDATVDWSA-N 452.603 2.423 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1749677705 IITWYYHOMVQFKZ-UHFFFAOYSA-N 498.469 2.402 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1749690017 QFYICPMEBTVAME-ZVDOUQERSA-N 476.599 2.239 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Br)c2)nnc1N1CCO[C@@H](C#N)C1 1749724075 GXWXSERJTNOCJI-INIZCTEOSA-N 466.361 2.037 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1749731466 DWUNAVWNDKXRLU-FQEVSTJZSA-N 479.647 2.349 30 10 JEEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(-c2cnccn2)n1CCCC(F)(F)F 1752280543 FLWNDKNMSZZGIP-CQSZACIVSA-N 458.452 2.454 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCC1CCN(CC(F)(F)F)CC1 1760097153 ASWPLQKLIGSFHB-CABCVRRESA-N 464.558 2.011 30 10 JEEE C#CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCCN(S(C)(=O)=O)CC1 1760152457 MRXMMKWRBANZDX-UHFFFAOYSA-N 497.625 2.121 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1CCc1ccncc1)[C@@H]1CCS(=O)(=O)C1 1760183907 DNPIDJPRNCKPKQ-LJQANCHMSA-N 481.578 2.227 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1ccc(F)cc1F)[C@H]1CCS(=O)(=O)C1 1760189446 IVQWMWJWYOZOEQ-IBGZPJMESA-N 457.506 2.217 30 10 JEEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(N2CCC(CO)CC2)cc1 1760196984 URTIXIYAXPFYFP-HHHXNRCGSA-N 477.609 2.260 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2occc2C)CC1 1760265871 KXJUQSHNBFQYOS-DEOSSOPVSA-N 455.559 2.234 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCOc2cccc(F)c2)CC1 1760266047 OSWBMQWEKLWPKY-VWLOTQADSA-N 485.560 2.114 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CCC2CCN(CC)CC2)CC1 1760271857 OWDHRAOJCFXNBI-UHFFFAOYSA-N 463.630 2.352 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(N(C)C(=O)OCC)CC1 1760522247 OULJZLOYMNMWIU-HXUWFJFHSA-N 484.557 2.150 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3nn(C(C)C)c(=O)c4ccccc34)n2CCC(=O)N(C)C)C1 1760544767 GXIZFSODHQATAT-GOSISDBHSA-N 479.585 2.496 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc3ccccc3o2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1760551645 NGMHCZZGIWBYTJ-HNNXBMFYSA-N 466.585 2.161 30 10 JEEE CCO[C@@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2Cc2cc(OC)c(OC)c(OC)c2)CCOC1 1765878929 BSSUTSFDVXYRCO-PKTZIBPZSA-N 475.521 2.446 30 10 JEEE CCn1cnnc1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1766979845 FCXOHXGQQWNQIO-GOSISDBHSA-N 477.573 2.082 30 10 JEEE CCO[C@]1(c2nnc(N3CCC(C#N)CC3)n2CC2(S(C)(=O)=O)CCCC2)CCOC1 1767423169 AINLMXGIEDNJSN-OAQYLSRUSA-N 451.593 2.028 30 10 JEEE CNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2csc(COC)n2)C1 1769199113 DJHSWBSLCDRPHB-KRWDZBQOSA-N 451.556 2.430 30 10 JEEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(N(C)C)CCSC2)C[C@@H](C)O1 1769490182 BQOFHBWADXKDOH-DHJUGAMNSA-N 456.616 2.494 30 10 JEEE COc1cc(OC)c(CCn2c(-c3cccn3C)nnc2N2CCO[C@@H](C#N)C2)c(OC)c1 1769896355 AICHIFKXVHECGZ-KRWDZBQOSA-N 452.515 2.281 30 10 JEEE C[S@@](=O)C1(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCO[C@@H](C#N)C2)CCC1 1771368164 BNPPHPFEQLLOSO-JGTBNHKDSA-N 453.366 2.066 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1772659882 KGGPUMXGVYEYQV-NRFANRHFSA-N 493.077 2.416 30 10 JEEE O=C(C1=C(O)C(=O)N(CCCO)[C@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccc2c(c1)OCCO2 1862615631 NYFXBOXUJCTHFQ-NRFANRHFSA-N 498.444 2.098 30 10 JEEE C=CCOc1ccccc1[C@@H]1C(C(=O)NC[C@@H](C)O)=C(N)Oc2c1c(C(F)(F)F)nn2C 1864322670 RIVCDTOEXNWDRS-RISCZKNCSA-N 452.433 2.195 30 10 JEEE CCOC(=O)c1ccc(N2C[C@H](C(=O)Nc3c(C#N)nnn3Cc3ccccc3)CC2=O)cc1 1870109380 SHWCNFRJBDYVMR-GOSISDBHSA-N 458.478 2.366 30 10 JEEE C=CCn1cc(OCCN2C(=O)c3ccccc3C2=O)c(=O)cc1CN1C[C@@H](C)O[C@H](C)C1 1870378034 HNWXCZMTJPORJP-QZTJIDSGSA-N 451.523 2.319 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)OCc2ccccc2)cn1CCOCCO 1870620688 UAWOHHLWGZFNQF-UHFFFAOYSA-N 456.539 2.153 30 10 JEEE C=CCN=c1nc(N2CCN(Cc3ccccc3)CC2)[nH]c(=Nc2cc(OC)c(OC)c(OC)c2)[nH]1 1871563772 INLXYTXDNLBLSM-UHFFFAOYSA-N 491.596 2.405 30 10 JEEE C=CCn1c(C(=O)N2CCN(C(C)=O)CC2)cc2c(N3CCN(c4ccccc4)CC3)ncnc21 1873561669 UUKZTYMGCJBSEC-UHFFFAOYSA-N 473.581 2.248 30 10 JEEE C=CCn1c(C(=O)N2CCC(C(N)=O)CC2)cc2c(N(CC)CCc3ccncc3)ncnc21 1873562126 OIVXEUKDDXARFG-UHFFFAOYSA-N 461.570 2.419 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)CSc2nnc(COc3ccccc3)n2N)nc1C 1874545253 IHUUDZPVZGZIJO-UHFFFAOYSA-N 460.541 2.409 30 10 JEEE CN1CCN(CC#CCOC2CCN(C(=O)c3cccn(Cc4ccccc4Cl)c3=O)CC2)CC1 1889617552 GDCZWBNWDJMJJF-UHFFFAOYSA-N 497.039 2.422 30 10 JEEE CCN1CCN(CC#CCOC2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)CC1 1890486209 NEMLUXWDBPWUDI-UHFFFAOYSA-N 457.999 2.290 30 10 JEEE N#CC1CC(O)(C[S@](=O)C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)C1 1990667677 GPLMKDFBFUWUKH-MBRRDAPVSA-N 468.531 2.392 30 10 JEEE C[C@H](O)CN(CCNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)OC(C)(C)C 2255700530 DTFDRHLHNKVTLQ-AWEZNQCLSA-N 454.398 2.395 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@H](CNC(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2255709246 UCFCLBGIECOKLN-CQSZACIVSA-N 452.382 2.413 30 10 JEEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2256672671 LIUZJPLYNPJWNG-UHFFFAOYSA-N 450.370 2.059 30 10 JEEE CN(C[C@H](O)CNC(=O)OC(C)(C)C)C(=O)c1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2266982653 BCFFYIDTTGVGGM-OAHLLOKOSA-N 452.332 2.083 30 10 JEEE CO[C@@H]1C[C@H](CNC(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)N(C(=O)OC(C)(C)C)C1 2267009802 QLSIJMAZMQATED-HZPDHXFCSA-N 450.341 2.333 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CNC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)CC(F)(F)F 2267141256 WCMUKMLKAYGBMA-NSHDSACASA-N 462.278 2.284 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@]1(CF)CCN(C(=O)OC(C)(C)C)C1 2267260690 PJMVBBOMTSGKPW-QFIPXVFZSA-N 451.348 2.403 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H]1CNS(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2267372277 LYGBYFGCOALTGJ-HOTGVXAUSA-N 466.409 2.425 30 10 JEEE CC(C)(C)OC(=O)N[C@@]1(CNS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)CCOC1 2267468784 MWCXZDQIBDGHPC-HXUWFJFHSA-N 488.437 2.009 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)[C@H]1CN(C(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)CCO1 2267552095 FEOSKWBVERREFA-GOEBONIOSA-N 450.341 2.333 30 10 JEEE CC(C)(C)OC(=O)NCC1(O)CN(C(=O)c2cccc(Cl)c2B2OC(C)(C)C(C)(C)O2)C1 2267906382 UBCGYENTCVWRKI-UHFFFAOYSA-N 466.771 2.351 30 10 JEEE CN(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccc(B2OC(C)(C)C(C)(C)O2)s1 2268646066 SBINXMNTAFVCLT-MRXNPFEDSA-N 467.441 2.461 30 10 JEEE CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1F 2268713237 ZXPHIHFNDSXZLL-CQSZACIVSA-N 456.295 2.478 30 10 JEEE CN1CC[C@](CNC(=O)OC(C)(C)C)(Oc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2269064372 XHWLMRHCHBSNRK-JOCHJYFZSA-N 451.348 2.498 30 10 JEEE Cn1nc(C(=O)NC[C@]23CC[C@@H]2CN(C(=O)OC(C)(C)C)C3)cc1B1OC(C)(C)C(C)(C)O1 2281963570 MYNMFEMYCZASFK-CMJOXMDJSA-N 460.384 2.096 30 10 JEEE CCc1nn(C)c(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H]3C[C@@H]32)c1B1OC(C)(C)C(C)(C)O1 2281986887 WCNTVRVGQRASBD-HOTGVXAUSA-N 460.384 2.116 30 10 JEEE CC1(C)OB(c2sc(S(=O)(=O)N3CCC(C4OCCO4)CC3)cc2Cl)OC1(C)C 2282309618 IFENZNDYLXBTSS-UHFFFAOYSA-N 463.814 2.474 30 10 JEEE COC1(CNC(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2F)CN(C(=O)OC(C)(C)C)C1 2282399970 UKTRAGODGADCEC-UHFFFAOYSA-N 464.343 2.491 30 10 JEEE Cc1sc(C)c(S(=O)(=O)N2CC[C@@](C)(NC(=O)C(F)(F)F)C2)c1B1OC(C)(C)C(C)(C)O1 2282496206 XCCNGEGQIUSYQU-GOSISDBHSA-N 496.382 2.496 30 10 JEEE CC[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282534257 DUJKIZABUUOUOH-WBVHZDCISA-N 462.400 2.485 30 10 JEEE CC(C)(C)OC(=O)N1CC([C@H](F)CNC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2282534902 YHKPGGIXTQCITI-MRXNPFEDSA-N 467.322 2.455 30 10 JEEE Cc1c(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H](C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282596968 DTGWYXIVJYRGQR-HNNXBMFYSA-N 462.400 2.357 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](C[C@H]2NS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2282831100 FDZQHPLWGZFBFT-RRFJBIMHSA-N 499.464 2.117 30 10 JEEE Cc1cc(S(=O)(=O)NCc2c[nH][nH]c2=NC(=O)OC(C)(C)C)sc1B1OC(C)(C)C(C)(C)O1 2282838769 UOUDFAIWZSMBGM-UHFFFAOYSA-N 498.436 2.326 30 10 JEEE COC[C@H](ONC(=O)OC(C)(C)C)C(=O)N1Cc2cccc(B3OC(C)(C)C(C)(C)O3)c2C1 2283964872 PCQFNQJGMLFEBI-SFHVURJKSA-N 462.352 2.299 30 10 JEEE Cn1nccc1[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2283981294 KRGNZNZRELBIQW-KRWDZBQOSA-N 457.340 2.319 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1COCC[C@@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2283992181 YHLYSNOYOXFFSF-GOEBONIOSA-N 465.331 2.388 30 10 JEEE C[C@H](c1nscc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)C1(O)CC(NC(=O)OC(C)(C)C)C1 2284130909 WVSFUUZKMWYHMT-JSBZPRQMSA-N 481.424 2.380 30 10 JEEE CC1(C)OB(c2csc(S(=O)(=O)N[C@]3(C(=O)O)CCN(Cc4ccccc4)C3)c2)OC1(C)C 2284400912 CLUGBAGTYCXIQY-JOCHJYFZSA-N 492.428 2.055 30 10 JEEE Cc1nc2ccccn2c1C(O)=C1C(=O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccc([N+](=O)[O-])cc1 2296110043 DWOSYGHWAAFVEI-JOCHJYFZSA-N 491.504 2.305 30 10 JEEE CCOC(=O)c1[nH]c(C)c(C(O)=C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccncc2)c1C 2297060360 RANGFRBUXIXFLL-JOCHJYFZSA-N 496.564 2.347 30 10 JEEE Cc1c(C=C2SC(=S)N(CCCC(=O)O)C2=O)c(N2C[C@H](C)O[C@H](C)C2)n(C)c(=O)c1C#N 2314462271 QRGQJQGBHOODIO-BETUJISGSA-N 490.607 2.245 30 10 JEEE COc1ccc(CCc2nnc(SCC(N)=O)n2N=Cc2cc(OC)c(O)c(OC)c2)cc1 2328574002 WEIKGXAWEZKNRG-UHFFFAOYSA-N 471.539 2.254 30 10 JEEE COC(=O)c1ccc(CSc2nnc(CNC(C)=O)n2N=Cc2ccc(OC)c(OC)c2)o1 2330750044 LEFLAXUVTUWHEA-UHFFFAOYSA-N 473.511 2.486 30 10 JEEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@@H]2CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2359267195 SUPRJCKPKXFLJE-OIISXLGYSA-N 458.368 2.294 30 10 JEEE C[C@H](CN=c1cc(B2OC(C)(C)C(C)(C)O2)c(F)c[nH]1)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 2372001071 ROCXTUJAFOGUNP-CMJOXMDJSA-N 465.375 2.362 30 10 JEEE COc1cc(NC(=S)/N=C(\Nc2nc(C)cc(C)n2)N2CCC(C(N)=O)CC2)cc(OC)c1 14161058 JQHGVEOFIVTSIW-UHFFFAOYSA-N 471.587 2.473 30 10 JEEE COc1ccc(/C=N/Nc2nnc(SCC(=O)Nc3ccc(F)cc3F)n2N)cc1OC 20292733 ZKSILJNCDAWYHD-NUGSKGIGSA-N 463.470 2.464 30 10 JEEE CCC[C@@H]1O[C@@H]2C[C@H]3[C@@H]4C[C@H](O)C5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)COC(C)=O)O1 72130034 PROKXHPTCWWSAS-OTNOZZLYSA-N 488.577 2.258 30 10 JEEE in-vitro CNS(=O)(=O)c1ccccc1N1CCN(CC(=O)N(CCC#N)c2cccc(Cl)c2)CC1 560068269 NGPQCQKCAQUASJ-UHFFFAOYSA-N 476.002 2.317 30 10 JEEE CCn1cc(-n2c(=C(C#N)C(=O)c3ccc(F)cc3)sc(=Cc3cnn4ccccc34)c2=O)cn1 729672415 MZISPTJIWBACKF-UHFFFAOYSA-N 484.516 2.288 30 10 JEEE CCn1cc(N=C2S[C@@H](CC(=O)Nc3cnccn3)C(=O)N2Cc2cccnc2OC)cn1 730722576 FTUWMDDYARCGKA-INIZCTEOSA-N 466.527 2.257 30 10 JEEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1csc(-c2cccc(Br)c2)n1 730811020 XVPOLCACKZRXRP-CQSZACIVSA-N 475.411 2.384 30 10 JEEE C#CCN(C)CCCNC(=O)[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 757400391 OOVTUXAOZYWSBU-HSZRJFAPSA-N 463.534 2.440 30 10 JEEE Cc1nn(-c2ccccc2)c(N2CCOCC2)c1C=NNc1nc(S[C@H](C)C(=O)NC2CC2)n[nH]1 1084450923 YOSYQAIJXDKXKK-MRXNPFEDSA-N 495.613 2.341 30 10 JEEE Cn1cc([C@@H]2CN(C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC23CCOCC3)cn1 1233850790 DIFIXCMBRPBKRX-NZSAHSFTSA-N 458.563 2.085 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1CCCOC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1286387827 IRCNBSKMNAKBTK-OAHLLOKOSA-N 486.472 2.227 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC(C)(C)N1CCOCC1 1286442726 KQXPAQURBHXCGW-UHFFFAOYSA-N 463.586 2.245 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Cl)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1286527133 BMVVLXONCXOOEC-RTWAWAEBSA-N 464.975 2.052 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc(Cc2ccccn2)n1C[C@@]1(O)CCS(=O)(=O)C1 1286763041 RZEZZIZBOYBZDM-DEOSSOPVSA-N 467.595 2.049 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1286817373 UBIBAMGCWAQCOI-FXAWDEMLSA-N 480.034 2.356 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](CN2CCC(C)CC2)C1 1286819016 WUXXIFKMWKPBHW-FQEVSTJZSA-N 475.663 2.228 30 10 JEEE C#CCN(c1nnc(COCC)n1Cc1ccc2c(c1)[C@H](C)[C@H](C)O2)[C@@H]1CCS(=O)(=O)C1 1300503779 FLZQFTSYEQMHGD-ZIFCJYIRSA-N 458.584 2.374 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Br)cc3)n2CCC(=O)N(C)C)CC1 1300718112 BBRNXBVLHCWAMS-UHFFFAOYSA-N 487.402 2.152 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@@]2(O)CCO[C@H]2C)CC1 1300718587 UGKCJYSLYMSQTJ-FYSMJZIKSA-N 487.988 2.113 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cc(C)ccc1OC 1300806165 QSHMGEMKHXIAEG-XUZZJYLKSA-N 487.626 2.163 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1300843085 AROZAEFPXAZMED-INIZCTEOSA-N 476.379 2.249 30 10 JEEE C=CCOc1ccccc1Cn1c(Cc2ccccn2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1301531249 GWZYXDBPCHUSRC-QFIPXVFZSA-N 462.554 2.218 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1301587366 NXRRMUQDQQFURB-UXHICEINSA-N 482.553 2.132 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCCN(C(=O)c2cccc(C)c2)CC1 1301588970 MZMYMUBRHPTLAN-OAQYLSRUSA-N 487.626 2.044 30 10 JEEE C=CCSCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCNC(=O)C1 1301611921 ILXBSPHRHLASBW-INIZCTEOSA-N 450.609 2.248 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ncnn1C(C)(C)C 1316085823 HIIQXZCIRXWEDM-IBGZPJMESA-N 477.573 2.149 30 10 JEEE CS(=O)(=O)C1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(C#N)CC2)CCC1 1316335096 AUIDLWSEFMBXGY-UHFFFAOYSA-N 454.556 2.436 30 10 JEEE C=CCOc1ccc(CC(=O)Oc2ccc(C(=O)N3CCN(S(C)(=O)=O)CC3)cc2)cc1 1353566411 OMNBWBUUXCFZKK-UHFFFAOYSA-N 458.536 2.117 30 10 JEEE C#CCN(c1nnc(C2CCN(c3ncccn3)CC2)n1CCCC=C)[C@@H]1CCS(=O)(=O)C1 1358963773 NURGPBUDYNHIPD-HXUWFJFHSA-N 469.615 2.045 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1CC1CCN(C(=O)OC)CC1 1358976557 IIXJERQYYUXBCO-UHFFFAOYSA-N 459.510 2.145 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCCO2)n1CCNS(=O)(=O)c1ccc(C)s1 1358993563 QTRPESQNHZOMSK-SFHVURJKSA-N 461.613 2.331 30 10 JEEE C#CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1C[C@]1(N(C)C)CCSC1 1359026419 XHXNJMDDUUUMAY-HSZRJFAPSA-N 453.616 2.040 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCS(=O)(=O)C1 1359071597 WDHSRNCZCHKUCW-YZZKKUAISA-N 493.630 2.013 30 10 JEEE C=C(Cl)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(CC)CCS(C)(=O)=O 1359141345 CYUUAEMBWWBEPV-UHFFFAOYSA-N 460.387 2.485 30 10 JEEE C=C(Cl)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)CC(=O)NC(C)(C)C 1359144644 OZFILDXBKMIHJE-UHFFFAOYSA-N 469.011 2.299 30 10 JEEE CCN1CCN([C@@H](C)Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2CC[C@](F)(C#N)C2)CC1 1502310480 AETVYLVWAKSDJS-UUOWRZLLSA-N 471.581 2.430 30 10 JEEE C#CCCCCn1c(CSc2ccc(C)cc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1507576424 YFBQDDPDWCIXIP-UHFFFAOYSA-N 479.614 2.018 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCCN(C(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1507630817 IJSHTTRTPVDQER-NHCUHLMSSA-N 470.643 2.396 30 10 JEEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1507672828 JDSBVTPTMIGSFZ-HXUWFJFHSA-N 477.535 2.256 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](OC)c1ccc(Cl)cc1 1507690689 VEARRZBNVZXUOX-RBUKOAKNSA-N 482.006 2.112 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H]2OCCC2(C)C)CC1 1507730879 XIFYDLAERBANNO-VQTJNVASSA-N 488.633 2.157 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2C[C@H](C)O[C@H](COC)C2)cc1 1508101111 UDXMMNJFCWECPN-DSKINZAPSA-N 476.599 2.033 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H]1CC 1508134164 BRQWQMXNHHGOMA-QGZVFWFLSA-N 452.602 2.328 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCCN(C(C)=O)CC1 1508135540 JHPJIAJPTGAIFP-UHFFFAOYSA-N 482.006 2.267 30 10 JEEE CCNC(=O)C(C)(C)Cn1c([C@H]2CCCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1515982268 AFPBZIVLMDLLAU-PKOBYXMFSA-N 481.605 2.059 30 10 JEEE CS[C@@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1519744212 HVZLDTOPEVEKIS-PXNSSMCTSA-N 490.655 2.199 30 10 JEEE CCN(CC)S(=O)(=O)c1cc(C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)ccc1OC 1527484200 DBRBADJTDLOUGB-SFHVURJKSA-N 458.540 2.286 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](C)N1CCN(CC)CC1 1539015651 QKOSMCJXPZQCSV-PCCBWWKXSA-N 489.665 2.070 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2CC2(SC)CCOCC2)c1 1539046013 KCVRZAFFAXJLGU-UHFFFAOYSA-N 496.637 2.369 30 10 JEEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(CCN2[C@H](C)CC[C@H]2C)CC1 1539078587 AIZUTDHQERBQEU-FGZHOGPDSA-N 455.651 2.199 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC1CC(c2ccccc2)C1)[C@H]1CCS(=O)(=O)C1 1539201139 XEACFIVSOJVLEP-MNLRITNHSA-N 469.611 2.237 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccc(OC)cc2F)CC1 1539469644 SVNFCKPPIYZNFQ-RUZDIDTESA-N 485.560 2.092 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@@H]2CCSC2(C)C)CC1 1539469772 VBZOJTPKMFBBFE-MJGOQNOKSA-N 463.648 2.500 30 10 JEEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N(CCO)Cc1ccc(OC)cc1OC 1539576967 DMCSVPAFSVKVDA-UHFFFAOYSA-N 494.390 2.439 30 10 JEEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](OCC2CC2)C1 1539599510 GROROVSEUWPYEQ-JKSUJKDBSA-N 459.410 2.484 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccccc2OC)nnc1N1CCN(CCOC)C(=O)C1 1539637780 SVPNUPYWIUZCNP-HYBUGGRVSA-N 469.586 2.154 30 10 JEEE C=CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1540856174 XRUYVPMPKHGKRF-QAPCUYQASA-N 451.535 2.456 30 10 JEEE C=CCNC(=O)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CC(=O)N(C)[C@H](C)C1 1540864122 PUVAEVCVSZDDQF-OAHLLOKOSA-N 465.583 2.346 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CC2CCN(CC(F)(F)F)CC2)C1 1540894562 AKSVTJYGUNYHFE-GOSISDBHSA-N 470.540 2.456 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1540905199 UMUDRRXYDBWUIE-UHFFFAOYSA-N 481.504 2.100 30 10 JEEE CC(C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC2CCOCC2)CC1 1541686128 BWEMCVHDUGXRHE-UHFFFAOYSA-N 465.602 2.280 30 10 JEEE CCOc1ccc(O[C@H](C)c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H](C)N2CCOCC2)cc1 1547978657 HGKNIMVSRCBFKK-NNMXDRDESA-N 470.574 2.266 30 10 JEEE CCOC1CC(Cn2c(Cn3nc(C)cc3C)nnc2N(C)[C@H](C)CC#N)(N2CCOCC2)C1 1548019116 GUBDBQFRYZZGAB-JVIIGWRGSA-N 470.622 2.148 30 10 JEEE CS(=O)(=O)N1CCC[C@@H](CN2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)C1 1559721165 FTPSLVRAQPXJJM-QFBILLFUSA-N 455.422 2.303 30 10 JEEE CCOC(=O)C1(S(C)(=O)=O)CCN(C(=O)Nc2ccc(C#N)c(Br)c2)CC1 1562779063 HRSFVWWCHZBLEL-UHFFFAOYSA-N 458.334 2.295 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1588035198 PXYPBCBPZOZVTM-NVXWUHKLSA-N 466.510 2.210 30 10 JEEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1ccc(C(F)(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 1588069821 SZEXRZLAOFENQD-GOSISDBHSA-N 495.527 2.094 30 10 JEEE C#CCN(c1nnc(COCC)n1C[C@H](c1cccs1)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1588074084 IKNBSGAMKNAIHI-RTBURBONSA-N 477.656 2.340 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2CCNC(=O)c2cccc(C)c2)CC1 1588890820 GCDJPNJJOQUODZ-IBGZPJMESA-N 450.587 2.496 30 10 JEEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CCN1CCOC(C)(C)C1 1589008574 XHWUCWWTHGTZGL-UHFFFAOYSA-N 491.683 2.262 30 10 JEEE C=C(Br)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(C(C)=O)CC1 1589304025 CNYDKCOZDOQJBP-UHFFFAOYSA-N 496.435 2.124 30 10 JEEE C=CC[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCN(CC(=O)N(C)C)CC1)c1ccccc1 1594544006 GOOLKBONUHQNDV-YADHBBJMSA-N 452.603 2.352 30 10 JEEE C=CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1594760732 OGXHZONDAIOKQK-JOCHJYFZSA-N 463.586 2.438 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1595475121 ADMYZSQCJMOBTA-LPHOPBHVSA-N 453.522 2.036 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)C[C@@H]1CC=CCC1 1595777385 MAIPRQVVJOWVQI-GOSISDBHSA-N 468.587 2.314 30 10 JEEE CC(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)C(C)(C)C)C1 1596531010 HKOCESCGCQVZQB-LJQANCHMSA-N 451.575 2.332 30 10 JEEE N#CCn1cc(NC(=O)[C@H](Cc2cccc(Br)c2)[C@@H]2CCS(=O)(=O)C2)cn1 1597840755 CIWOTJUZZLEMNQ-RHSMWYFYSA-N 451.346 2.401 30 10 JEEE CCN(c1nnc(COc2ccc(C#N)cc2)n1CCS(=O)(=O)N1CCSCC1)C(C)C 1615268816 AQAWGDMKDKHAJL-UHFFFAOYSA-N 478.644 2.342 30 10 JEEE C=CC1(CC(=O)NN2C(=O)N[C@](C)(c3ccc(OC)cc3)C2=O)CN(C(=O)OC(C)(C)C)C1 1634859736 FIEPNUGYWYSJHD-JOCHJYFZSA-N 458.515 2.307 30 10 JEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC[C@H](O)c3ccccc3F)nnc12 1650850394 VQYLCBGPOPBKCT-SFHVURJKSA-N 453.499 2.311 30 10 JEEE Cc1cc(O)nc(N2CCC[C@@H](NS(=O)(=O)c3cc(Br)ccc3C#N)C2)n1 1656930509 HCQWWZFENDPNJQ-CQSZACIVSA-N 452.334 2.072 30 10 JEEE COc1cc(C#N)ccc1S(=O)(=O)N1CCNC(=O)[C@@H]1c1ccc(OC(F)(F)F)cc1 1663354474 CKRRQLOYAMNHOH-KRWDZBQOSA-N 455.414 2.327 30 10 JEEE CN(C)S(=O)(=O)c1ccc(CNC(=O)NC2CCC(Oc3ncccc3C#N)CC2)cc1 1674912362 CICSRROSRAPSBB-UHFFFAOYSA-N 457.556 2.393 30 10 JEEE COc1ccc(CN2CC[C@@H](NC(=O)N3CCN(c4cccc(F)c4C#N)CC3)C2=O)cc1 1679131222 AZCRQCGPWBMYBX-OAQYLSRUSA-N 451.502 2.339 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](C)c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1689978503 WWPUIWCSUJAHNG-XLIONFOSSA-N 496.568 2.495 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1CCc1ccc(Br)s1)[C@@H]1CCS(=O)(=O)C1 1689990858 SQXLRGCAGGEKGC-LSDHHAIUSA-N 499.456 2.475 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCCOC1CCCC1)[C@@H]1CCS(=O)(=O)C1 1689991304 ZMJLYSLCMBIWHV-RBUKOAKNSA-N 450.605 2.148 30 10 JEEE C#CCN(c1nnc(CC)n1Cc1cccc(OCC(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 1689992374 KCVKBOCFGKUHOQ-INIZCTEOSA-N 456.490 2.457 30 10 JEEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1690167540 LDNZXCQOVIGHBZ-UHFFFAOYSA-N 457.648 2.031 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(CC(=O)NCC)CC1 1690247466 BGLBURIXJIBXQE-MHECFPHRSA-N 488.583 2.386 30 10 JEEE C=CCNC(=O)Cn1c(Cc2c[nH]c3ccccc23)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1690673715 BCNNPHONPGGIDR-KDURUIRLSA-N 465.602 2.198 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cc3c(cc2OC)C[C@@H](C)O3)C1 1690685939 GKKBMNJUZJKUEB-JTDSTZFVSA-N 491.614 2.050 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CCNS(=O)(=O)c2ccc(C)s2)C1 1690700015 MOHAZIIAZWOICG-QZTJIDSGSA-N 481.644 2.302 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(c2ccccn2)CC1 1690717657 MSHWAZIQTQDFTE-UHFFFAOYSA-N 498.609 2.285 30 10 JEEE CCOC1CC(O)(Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CC[C@](F)(C#N)C2)C1 1696203723 FTEGPBDGFVJMDY-LPBNZCGVSA-N 476.940 2.233 30 10 JEEE COc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@@](C)(C#N)C2)cc1OC 1697452748 CUNRVJUIXAJRLA-VGSWGCGISA-N 459.572 2.376 30 10 JEEE CS[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1698344805 IDEJXYHQDJMJNZ-QGZVFWFLSA-N 492.609 2.301 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1ccc(OC)nc1OC 1705490071 BNHXYMZBMMKWOY-OAHLLOKOSA-N 459.510 2.110 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCc1csc(CC)n1)[C@H]1CCS(=O)(=O)C1 1705567042 SQWMVFUNJAANCS-ZWKOTPCHSA-N 463.629 2.408 30 10 JEEE C#CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(CCOCC)CC1 1705662196 SIPUHZDILQJXLZ-NRFANRHFSA-N 457.600 2.316 30 10 JEEE C=C(C)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCN(CC(=O)N(C)C)CC1 1705724289 DEDYENLYCMJEBC-UHFFFAOYSA-N 478.601 2.022 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c(N2CCN(S(C)(=O)=O)CC2)nnc1C(C)(C)C)C(C)C 1705869131 MRVLYSZYEIAMOJ-IBGZPJMESA-N 452.669 2.356 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1C[C@@H](C)[C@@H](F)C1 1705901899 ZLPGWIZHZVWFAE-QAPCUYQASA-N 453.522 2.161 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1705905513 XYYMWXMUAFLOMO-UHFFFAOYSA-N 474.009 2.408 30 10 JEEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@@H]2CCOC2)n1CCSC(F)(F)F 1708152321 CTFFTVUSRAMNSZ-ZIAGYGMSSA-N 468.509 2.412 30 10 JEEE CCO[C@@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2Cc2ccc(OCCN(C)C)cc2)CCOC1 1710456455 BFYFNUZRSYRCMY-ZEQRLZLVSA-N 472.565 2.361 30 10 JEEE Cn1nccc1[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC(F)F)C1 1711286222 HTQIKWXOMBMZGQ-QGZVFWFLSA-N 454.485 2.316 30 10 JEEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCC(NC(=O)c2ccc(F)cc2)CC1 1722338970 OYDHLPXLSXTPBV-UHFFFAOYSA-N 452.534 2.352 30 10 JEEE C#CCN(c1nnc([C@@H](CC)c2ccccc2)n1Cc1ccn(C)n1)[C@@H]1CCS(=O)(=O)C1 1722363836 HEOBONHGKDWLQU-RTWAWAEBSA-N 452.584 2.229 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1ncccc1N(C)C 1722394547 WLZYSSGXPAWWBF-UHFFFAOYSA-N 466.549 2.164 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1Cc1cc2c(cc1OC(F)F)OCO2 1722429053 MRBLGHOMRVOPPL-AWEZNQCLSA-N 450.442 2.246 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CC[C@](C)(CC)O2)CC1 1722440112 CLJYBYDZDNJTIU-JPYJTQIMSA-N 456.616 2.373 30 10 JEEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1722454830 FVVXBTRDZUSOKY-FQEVSTJZSA-N 470.624 2.187 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1cccc(OC)c1)N(C)C 1722473405 CRKFDWCCEQBHAS-NHCICSSKSA-N 471.627 2.484 30 10 JEEE C=C(C)Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1722521130 ASEOMIBODCRPGS-IBGZPJMESA-N 452.559 2.093 30 10 JEEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(C)CCOc1ccccc1Cl 1722698286 YBMXVDYSHRNUJW-UHFFFAOYSA-N 472.933 2.477 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 1722699136 RRGJHEHZGARIIG-GCJKJVERSA-N 496.612 2.470 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1722717293 HRHJSCFWPQNGBL-RDJZCZTQSA-N 466.995 2.056 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2CCN(CCC)CC2)C1 1722719318 STWDRMFYGFWOJB-PMACEKPBSA-N 451.637 2.084 30 10 JEEE CC(C)C(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCOC[C@@H]2C)CC1 1723065973 BCNFDNDYKTYFJJ-IBGZPJMESA-N 465.602 2.278 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)c(OC)c2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1740543812 WXRNMWPXLWPJPJ-QUCCMNQESA-N 468.602 2.363 30 10 JEEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(c2cnccn2)CC1 1740565486 BADQVRUHFGBOLP-UHFFFAOYSA-N 465.583 2.269 30 10 JEEE C#CCN(c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1740618648 JPARBOHWIHZHOT-FDDCHVKYSA-N 468.583 2.123 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCCCN1CCC)[C@H]1CCS(=O)(=O)C1 1740625118 NYNNFYLZDPNPOT-VXKWHMMOSA-N 487.674 2.031 30 10 JEEE C#CCN(c1nnc(COCC)n1CCCc1ccnc(C(C)(C)C)n1)[C@H]1CCS(=O)(=O)C1 1740626763 CHAHWEGHKDJYKJ-IBGZPJMESA-N 474.631 2.162 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H](C)Oc1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 1740627204 ZDRFHNVMTPDIFJ-CTNGQTDRSA-N 495.605 2.367 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccccn2)n1CCC(=O)N1CCOCC1 1740678807 JCSONFPNTSRYGT-UHFFFAOYSA-N 462.529 2.292 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2CC2(C(=O)NCC)CCC2)CC1 1740699637 NVBVCAOYRNEWPT-UHFFFAOYSA-N 450.587 2.227 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC)n2Cc2ccc(OCC(F)(F)F)nc2)CC1 1740705747 LOWFTOPDGMIQFI-UHFFFAOYSA-N 450.465 2.191 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1740710569 ZQEYQAJTBKSZTB-MJGOQNOKSA-N 452.584 2.228 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)nnc1C(C)(C)C 1740766976 LXTIPXWZSYIXEY-QUCCMNQESA-N 491.662 2.110 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(C)CC1 1740990657 YKTUGTMPHXKPOE-UHFFFAOYSA-N 466.633 2.075 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCc2c(cccc2OC)C1 1740992521 HSYXEBMYSQPNRV-UHFFFAOYSA-N 453.568 2.436 30 10 JEEE C[C@@H]1COCCN1CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(CCC#N)CC1CC1 1743361293 ABTAXCXSJFZIBO-GOSISDBHSA-N 472.615 2.199 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ncccc1N(C)C 1748665153 ODMCZDPMVTVTDK-MRXNPFEDSA-N 452.588 2.205 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@H](c1ccc(C)o1)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1748802204 NICBIMHOOLKQLB-UXHICEINSA-N 489.642 2.177 30 10 JEEE COc1ccc(O[C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(CC#N)CC2)cc1 1748849913 CUVIOVVKEFZXII-SJORKVTESA-N 476.603 2.494 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccccc1CN1CCCC1=O 1748875233 OGPHUPPVADVACW-UPVQGACJSA-N 461.566 2.246 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CC(C)(C)N2CCC[C@@H](C)C2)CC1 1748971582 VZXWLOMGEJHTDL-HXUWFJFHSA-N 457.667 2.462 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2CCCN2C[C@H](C)O[C@@H](C)C2)CC1 1749010279 KJINEBPQTBPEHC-SFTDATJTSA-N 494.640 2.419 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](C)N2CCC[C@H](C)C2)CC1 1749015786 NGBWVLYCKXFABY-UGKGYDQZSA-N 480.661 2.226 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)OC)CC1 1749137248 XDCPTQAUZABCEV-QFBILLFUSA-N 474.587 2.139 30 10 JEEE COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCO[C@@H]2C(C)C)CC1 1749245245 DFFVLGJVIXZYPZ-IFMALSPDSA-N 452.559 2.173 30 10 JEEE C=CCN(CC=C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCN1CCCS1(=O)=O 1749573833 VWVPCXZYAPPMTB-UHFFFAOYSA-N 497.625 2.450 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)NC(CC)CC)nnc2N2CCN3C(=O)NC[C@@H]3C2)cc1 1749683483 URYFXRWFTXWUPZ-LJQANCHMSA-N 467.574 2.023 30 10 JEEE CC(=O)N[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C(C)C)N2CCOCC2)C1 1749949115 ACYXCRWGSZSHEC-UPVQGACJSA-N 495.628 2.190 30 10 JEEE C[C@H]1COCCN1CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1752424846 GJVDPVBKRXJYRO-IBGZPJMESA-N 465.602 2.232 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(C)oc2ccccc12 1760117446 PBUFCPMNQBNBDT-MGPUTAFESA-N 457.556 2.172 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2CCC2(C)CC2)c1 1760126319 UYMAOMXPPCDXFS-INIZCTEOSA-N 458.588 2.135 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@@]1(O)CCc2ccccc21)[C@H]1CCS(=O)(=O)C1 1760185728 CCSAYPKCQRMVPD-CYFREDJKSA-N 456.612 2.327 30 10 JEEE C#CCN(c1nnc(C2CCC2)n1Cc1ccccc1OCCOC)[C@H]1CCS(=O)(=O)C1 1760186631 FBQYTRDPFCNLIX-FQEVSTJZSA-N 458.584 2.246 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@]1(O)CCSC1 1760249789 TTZGMAABSAZEOS-JPYJTQIMSA-N 479.647 2.347 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2ccc(C)nc2)CC1 1760260936 DPZOEGVTRZNAPJ-NRFANRHFSA-N 481.601 2.093 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCN2CCOC[C@@H]2C)CC1 1760266939 BRZZJKFWPYCTQQ-KRWDZBQOSA-N 488.995 2.424 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccsc2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1760325716 RXGMEIXWCHSUPR-BJLQDIEVSA-N 465.645 2.430 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N(C)[C@H](C)CS(C)(=O)=O)nnc1[C@]1(OC(C)C)CCOC1 1760327415 GXTWDCPSZHSHLU-IWQHBPENSA-N 470.636 2.169 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 1760333930 IIWWJBZSQIQZCU-DYXWJJEUSA-N 492.646 2.131 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCCN(Cc2ccc(OC)cc2)C(=O)C1 1760516110 JQHWMHUTTYUADZ-GOSISDBHSA-N 454.575 2.341 30 10 JEEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)COc2ccc(F)cc2)CC1 1760565379 WBBFIWCIPPIGEF-LJQANCHMSA-N 488.589 2.015 30 10 JEEE CN1CCCC(C)(C)[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C(N)=O)C1 1769064915 GPXSVFSTXATHNR-QUCCMNQESA-N 451.575 2.161 30 10 JEEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1ccc(O)c([N+](=O)[O-])c1 1862416232 MLMPWUUVVOHCNY-GOSISDBHSA-N 461.377 2.293 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(O)c(O)c2)cc1 1862688807 BBIZMWJWUNICIU-OAQYLSRUSA-N 454.479 2.017 30 10 JEEE CC(=O)c1ccc(NC(=O)[C@H](CO)NC(=O)C2CCN([C@@H](C#N)c3cccs3)CC2)cc1 1866867040 MAEOCFHACWTXAJ-PMACEKPBSA-N 454.552 2.343 30 10 JEEE CC[C@H](NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 1866875518 BWOCWEIUWJMLFC-RBUKOAKNSA-N 489.623 2.206 30 10 JEEE CCCCCCCCN=c1nc(N(CCO)CCO)[nH]c(=Nc2cc(OC)c(OC)c(OC)c2)[nH]1 1871566210 MHPCCEBKFIZMRS-UHFFFAOYSA-N 492.621 2.048 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)COc2nonc2C(=O)N(CC)CCCC)nc1C 1872678950 SQRCMTQCNOXVGU-UHFFFAOYSA-N 451.505 2.457 30 10 JEEE C=CCn1c(C(=O)NCCOC)cc2c(N3CCN(c4ccccc4OC)CC3)ncnc21 1873591376 HYFPKJNPLMJVAK-UHFFFAOYSA-N 450.543 2.329 30 10 JEEE COc1cc(/C=N/n2c(SCC(N)=O)nnc2C2CCCC2)ccc1OCCN1CCOCC1 1874455190 FSFNJDCMSZXCTG-MFKUBSTISA-N 488.614 2.115 30 10 JEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC(NC(=O)OC(C)(C)C)C1 2247953947 WDKZKRLGHKDEAY-UHFFFAOYSA-N 458.411 2.253 30 10 JEEE CO[C@@H]1CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C[C@@H]1NC(=O)OC(C)(C)C 2255706494 JWIGRGBAOHKPOK-UONOGXRCSA-N 452.382 2.411 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@H]1CNS(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2255950155 IFTDKCQYRMCXCP-HOCLYGCPSA-N 452.382 2.177 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H]1C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)s1 2256620614 KNVNRYKHKKIUGW-DZGCQCFKSA-N 452.382 2.034 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)sc1CNC(=O)[C@H](CCO)NC(=O)OC(C)(C)C 2256672235 DVQBKLGLLJCSBG-AWEZNQCLSA-N 454.398 2.248 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CNS(=O)(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)s3)[C@@H]2C1 2267377319 DGXSXMGGTGRLRY-QKDCVEJESA-N 484.449 2.439 30 10 JEEE CC(C)(C)OC(=O)NCCN(CCO)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2267441149 QLINZBREQDBDRV-UHFFFAOYSA-N 452.332 2.084 30 10 JEEE Cc1sc(C(=O)N2C[C@@H](NC(=O)OC(C)(C)C)C[C@@H](O)C2)cc1B1OC(C)(C)C(C)(C)O1 2267541944 KWZZAHDBAVCDPL-LSDHHAIUSA-N 466.409 2.456 30 10 JEEE CC(C)(C)OC(=O)NCc1nocc1C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2268646426 JMOFRGKYMRAGRS-UHFFFAOYSA-N 464.353 2.385 30 10 JEEE CN(Cc1sccc1B1OC(C)(C)C(C)(C)O1)C(=O)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 2268713708 AVQNXMGRLMFAGM-QFIPXVFZSA-N 466.409 2.378 30 10 JEEE Cc1c(C(=O)N2C[C@@H](F)C[C@H]2CNC(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281810992 YCFIMNMEPKFQRN-GJZGRUSLSA-N 466.363 2.105 30 10 JEEE CN(C[C@H]1CCCN(C(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)C1)C(=O)OC(C)(C)C 2281982856 WXUHYUPPBQRSRA-MRXNPFEDSA-N 462.400 2.438 30 10 JEEE Cc1nn(C)c(C(=O)N[C@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2281990196 JXYHJODFXJXJAR-CVEARBPZSA-N 462.400 2.451 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2CN(Cc3ccccc3)C[C@@H]2C1 2282013546 ASNOCCBZEFDNGU-WOJBJXKFSA-N 450.392 2.232 30 10 JEEE CCn1cc(C(=O)N[C@H]2CCOC[C@H]2NC(=O)OCc2ccccc2)nc1B1OC(C)(C)C(C)(C)O1 2282042409 GUWZOUPWCPBLMT-AZUAARDMSA-N 498.389 2.016 30 10 JEEE CCn1cc(C(=O)N2C[C@H]3CC[C@H]2[C@H]3NC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2282052191 LQUMRCSJTJIVBH-PVAVHDDUSA-N 460.384 2.330 30 10 JEEE Cn1cc(C(=O)N2CC([C@@H]3CCN(C(=O)OC(C)(C)C)C3)C2)nc1B1OC(C)(C)C(C)(C)O1 2282054064 LVLNMVDPQSXETF-OAHLLOKOSA-N 460.384 2.048 30 10 JEEE CCc1nn(C)c(C(=O)NCC2CC(NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2282057830 LSKUCMPWWHLVHG-UHFFFAOYSA-N 462.400 2.315 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1C[C@@H](C)N(C(=O)OC(C)(C)C)C1 2282067632 QYPRUKQLIMPELL-GDBMZVCRSA-N 462.400 2.403 30 10 JEEE CN(Cc1ccccc1)[C@@]1(CNC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)CCOC1 2282188529 XCFRUHNMNZVJEP-RUZDIDTESA-N 451.376 2.402 30 10 JEEE CC(C)(C)OC(=O)N1CC(CCO)(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2F)C1 2282395841 RFRSTJPAQVMODC-UHFFFAOYSA-N 464.343 2.227 30 10 JEEE C[C@H]1CCN(C(=O)OC(C)(C)C)[C@H]1CNS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282424021 WOSXXNWZUXYPTO-YJBOKZPZSA-N 481.424 2.305 30 10 JEEE C[C@H](NC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1)C1CCN(C(=O)OC(C)(C)C)CC1 2282539067 OOHDOUBWNGRHIZ-HNNXBMFYSA-N 462.400 2.485 30 10 JEEE Cn1nc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)[C@H]3CCC[C@@H]23)cc1B1OC(C)(C)C(C)(C)O1 2282614961 LRVDTEMKIAJEBL-UAGQMJEPSA-N 460.384 2.237 30 10 JEEE Cn1nc(C(=O)N[C@@H]2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)cc1B1OC(C)(C)C(C)(C)O1 2282627149 GPMHFCKZZJVSEA-OWCLPIDISA-N 460.384 2.095 30 10 JEEE Cc1c(C(=O)N2C[C@H]3C[C@@]3(CNC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2288261408 SGBSEHPZRGAGIE-IQMFZBJNSA-N 460.384 2.015 30 10 JEEE CCOc1cc([C@H]2C(=C(O)c3ccc([N+](=O)[O-])cc3)C(=O)C(=O)N2CCOCCO)ccc1O 2296938553 QVFPPWKOGKXKEA-FQEVSTJZSA-N 472.450 2.130 30 10 JEEE COc1ccc(C(O)=C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 2297739929 FKZXTUZQOFQTMO-NRFANRHFSA-N 467.478 2.357 30 10 JEEE COC(=O)c1ccc(C=CC(=O)Nc2c(C#N)nnn2-c2ccc(N3CCN(C)CC3)cc2)cc1 2332198201 SYLVHKUPSKOVDO-UHFFFAOYSA-N 471.521 2.329 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](CNC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C2(CC2)C1 2361544709 WRNZTSMZQWDOGW-HNNXBMFYSA-N 458.368 2.153 30 10 JEEE COc1nc(OC2CC(NC(=O)OC(C)(C)C)(C(=O)O)C2)ccc1B1OC(C)(C)C(C)(C)O1 2365388240 KABQSOMZICWWIO-UHFFFAOYSA-N 464.324 2.279 30 10 JEEE CCc1nc(C(=O)N=c2[nH][nH]cc2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2380504152 ZICPYKJOECBFOT-UHFFFAOYSA-N 477.396 2.427 30 10 JEEE COC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OCC#N)c(=O)n2[C@@H]1c1ccc(O)c(OC)c1 2113587 ZWMDUXIPRLDWIY-VLOXRPPESA-N 491.525 2.025 30 10 JEEE COc1ccc(N2CCN(C(=O)c3cccc(/N=C4\N[C@@H]5CS(=O)(=O)C[C@H]5S4)c3)CC2)cc1 9860385 OEVZNZBTROSDML-NHCUHLMSSA-N 486.619 2.147 30 10 JEEE CCNS(=O)(=O)c1ccc(NC(=O)CSc2n[nH]c(N/N=C/c3ccc(F)cc3)n2)cc1 21077170 XNWUUHSASZEUPY-SRZZPIQSSA-N 477.547 2.419 30 10 JEEE CCOc1cc(/C=N/Nc2nnc(SCC(=O)Nc3ccccc3[N+](=O)[O-])n2N)ccc1O 21326464 CDYSPGYVGIRQDZ-UFFVCSGVSA-N 472.487 2.181 30 10 JEEE CC(=O)O[C@H]1C[C@H]([C@]2(C)CO2)[C@@H](OC(C)=O)c2oc(cc2C)[C@@H]2O[C@@]2(C)C[C@H]2OC(=O)[C@@]13O[C@H]23 43693247 FXDXTJXKPXLNSW-FZZKVQHVSA-N 476.478 2.216 30 10 JEEE CCOC(=O)/C(=N/NS(=O)(=O)c1ccc(C)cc1)c1ccc(S(=O)(=O)C2CC2)cc1 168639485 ZUYGPOWMQISEPP-XUTLUUPISA-N 450.538 2.177 30 10 JEEE CC(=O)N1CCN(CCOc2ccc(CCNC(=O)NCc3ccc(C#N)cc3F)cc2)CC1 609252402 CNUVPKMOTFIQHI-UHFFFAOYSA-N 467.545 2.282 30 10 JEEE C=CCC[C@H](NS(=O)(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1)C(=O)OCC 1211881635 YRHBDOAPIHGNBM-SFHVURJKSA-N 458.602 2.346 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2CCCO[C@@H]2CCOC2)c1 1286312588 YNUGNWOEBLYRGT-PZJWPPBQSA-N 453.543 2.034 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@H]1CC(=O)N(CCOC)C1 1286402022 WVOVBVQWVZHNNU-FQEVSTJZSA-N 456.550 2.369 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C)c2cccc(C)c2)CC1 1286492225 FCAAOQZBBHBDQJ-DENIHFKCSA-N 483.638 2.258 30 10 JEEE C#CCSCCn1c(-c2cccnc2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1286504436 RAHWWXATTWEWHY-SFTDATJTSA-N 481.670 2.333 30 10 JEEE C#CCSCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC[C@H](C(=O)OC)C1 1286508885 RGBHKWFMWVJIHW-QFIPXVFZSA-N 496.681 2.399 30 10 JEEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](Oc2ccccn2)C1 1286688929 UPCXAHMYFTYBDE-RBUKOAKNSA-N 476.603 2.020 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCN(c2ccccc2F)C1 1286967994 IFTXGZHLJIDVDR-KURKYZTESA-N 460.579 2.442 30 10 JEEE CC(C)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCOCC2)[C@@H](C)C1=O 1287750576 AIAXEGJRKDWPMX-FQEVSTJZSA-N 465.602 2.232 30 10 JEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ncn(-c2ccccc2)n1 1300464771 IBJGEIYXEUSJJR-IBGZPJMESA-N 478.557 2.285 30 10 JEEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@H]1CCN(CCC)C1)[C@H]1CCS(=O)(=O)C1 1300487067 FNSCTVCXFSCBTK-OALUTQOASA-N 459.591 2.443 30 10 JEEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1Cc1conc1COC)[C@@H]1CCS(=O)(=O)C1 1300504753 RLQFYAPMFLQCKH-HXUWFJFHSA-N 499.593 2.283 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2Cc2cnn(CC)c2)CC1 1300700857 YEBXMOFUULXVGR-NRFANRHFSA-N 482.633 2.413 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCc2ccc(N(C)C)cc2)CC1 1300716863 TVAAZCUJPAPQMX-HHHXNRCGSA-N 494.640 2.205 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCCC(F)(F)C2)CC1 1300726796 RHBMDZXMTJNNGI-HKUYNNGSSA-N 497.612 2.362 30 10 JEEE C=C(Br)Cn1c(CC2CC2)nnc1N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 1300852790 DCQODGZWYKDNDD-INIZCTEOSA-N 476.441 2.016 30 10 JEEE C=CCn1c(N2CCC([C@@H]3NC(=O)N(C)C3=O)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1301473694 HYROAZWGWZWVHC-BBWFWOEESA-N 473.578 2.001 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 1301497040 LZCLIHAIEJWDDZ-GOSISDBHSA-N 459.913 2.351 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)O[C@@H](c2ccsc2)C1 1301568649 VVLGMGKNNGXYSS-FUHWJXTLSA-N 479.628 2.143 30 10 JEEE C[C@H]1CN(CCCn2c(N3CCN(c4nccnc4C#N)C[C@@H]3C)nnc2C(C)(C)C)C[C@@H](C)O1 1305220877 HIPCAHDQWFJZLO-SLFFLAALSA-N 481.649 2.452 30 10 JEEE CCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1Cc1ccccc1OCCN(C)C 1306195699 FIDHCKPDYWPUOZ-UHFFFAOYSA-N 460.586 2.422 30 10 JEEE COCCS(=O)(=O)c1ccc(CNC(=O)NC2CCN(c3ccccc3C#N)CC2)cc1 1312498721 GWXVFDFYDORKNW-UHFFFAOYSA-N 456.568 2.447 30 10 JEEE CCNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(NC(=O)C2CC2)CC1 1313966367 CCVHFHQNMANABU-UHFFFAOYSA-N 463.586 2.474 30 10 JEEE COCC(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2c(C)noc2C)CC1 1315755777 HUTWLROOAJDIRV-UHFFFAOYSA-N 479.541 2.113 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1CCCn1cc(CO)nn1 1358876935 TYGLYSBFVFEISE-CQSZACIVSA-N 474.363 2.348 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2cc(Cl)ccc2C1 1358930257 QVJFQORZIQOGHM-IBGZPJMESA-N 463.991 2.241 30 10 JEEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H](c1ccccc1)N1CCOCC1 1358952392 JQAYVRFBKCJLHL-FQEVSTJZSA-N 464.595 2.413 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@H]1CCN(CCC)C1)[C@H]1CCS(=O)(=O)C1 1358961496 ACSVFWWXEHNJGU-PMACEKPBSA-N 456.616 2.007 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@H](C)N(C)c2ccccc2)CC1 1359045060 VPYNMUUIPHHGDH-FPOVZHCZSA-N 450.587 2.273 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1359098021 WOBGZWRIFHRYGE-DXIQSLLYSA-N 455.607 2.291 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N(C)CCN2CCOC(C)(C)C2)nnc1[C@@]1(OCC)CCOC1 1359104856 GOMJCUMIVNVGFZ-STWLZBDKSA-N 477.650 2.458 30 10 JEEE C=CCCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1359205754 JMIBOVZZZOTDDQ-KRWDZBQOSA-N 458.950 2.014 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1359329685 RBELAJDNJHEMJU-NRFANRHFSA-N 479.990 2.067 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CC[C@](O)(c2cccc(F)c2)C1 1359330755 BZGZTFZXLHUEKY-HSZRJFAPSA-N 471.558 2.486 30 10 JEEE C#C[C@@H](NC(=O)c1cc(O)nc2ccc(S(=O)(=O)N3CCOCC3)cc12)c1ccccc1 1437074610 VBVLZRPVWGCKIG-HXUWFJFHSA-N 451.504 2.066 30 10 JEEE N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(-n4cccc4)cc3)CC2)cc1 1462787390 GOXHEDRKZVRDSU-UHFFFAOYSA-N 456.549 2.044 30 10 JEEE CCN(c1nnc(-c2ccc(C#N)cc2)n1CCNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1501550050 FIRLEZVQZYMMSV-GOSISDBHSA-N 474.587 2.355 30 10 JEEE C#CCCCn1c(COc2ccc(OC)cc2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1507594255 BILJOUOHAJIFEL-XMMPIXPASA-N 466.542 2.094 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1Cc1c(CC)nn(C)c1CC)[C@@H]1CCS(=O)(=O)C1 1507626235 DOKRMBJKMYMOFL-HXUWFJFHSA-N 491.621 2.350 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](CCC)OC)[C@H]1CCS(=O)(=O)C1 1507627506 KAHBIQNZOTZWBG-DLBZAZTESA-N 451.980 2.435 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1CC1(O)CCN(C(C)C)CC1)[C@H]1CCS(=O)(=O)C1 1507630278 WAPUTONTABLBNM-NRFANRHFSA-N 485.654 2.116 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(OC)c(OCC)c(OC)c1 1507688495 BRGKSGUXVPZCGH-KRWDZBQOSA-N 462.572 2.104 30 10 JEEE C#CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1OCCC1(C)C 1507704117 PLCJOXXIFAEZCY-SFHVURJKSA-N 474.631 2.448 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCOc2ccccc2C)CC1 1507719249 MALPPRLYDLTZQX-RUZDIDTESA-N 453.587 2.461 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@H]2OCCC2(C)C)CC1 1507730878 XIFYDLAERBANNO-UXHICEINSA-N 488.633 2.157 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@]2(N(C)C)CCC[C@H](C)C2)CC1 1507738004 HMJPTRBETVXYCK-DFBJGRDBSA-N 464.618 2.211 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](CC)C1 1507799795 SKSFYWGHSZPZHE-NMLBUPMWSA-N 467.636 2.219 30 10 JEEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC([C@H]2CC2(F)F)CC1 1507965505 SDNKEVDXZPYMCX-MSOLQXFVSA-N 489.589 2.075 30 10 JEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CN2C[C@H](C)O[C@H](C)C2)CC1 1507967358 KAHWAJLBGCCVDS-RZUBCFFCSA-N 495.690 2.099 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cn(C)nc1-c1ccccc1 1508038241 HASJAGYQRGURSV-LJQANCHMSA-N 470.599 2.268 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC(=O)NCC(F)(F)F)C1 1508118622 WISWERZPJBUNNX-HNNXBMFYSA-N 469.464 2.422 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCO[C@]2(CCOC2)C1 1508136543 SUGKRFKIFKWEPV-HTAPYJJXSA-N 480.562 2.154 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CC[C@@H](c3ccco3)C2)nnc1[C@@]1(OCC)CCOC1 1508149216 QPNXKLVLWKFGNP-DYESRHJHSA-N 450.561 2.118 30 10 JEEE C=CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 1508164072 YGDPMZSBFYRNGK-IBGZPJMESA-N 456.616 2.462 30 10 JEEE CC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCC(O)CC2)CCN1CCOC 1514136620 DQCVPIJVRFQROV-QHCPKHFHSA-N 481.645 2.211 30 10 JEEE COCC[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCS(=O)(=O)C2)C1 1519007168 GBGJVEAESBEPGD-RBUKOAKNSA-N 459.572 2.026 30 10 JEEE COCCN(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCCN(C(=O)C2CC2)CC1 1519108235 AJRICNBAWDRXMC-UHFFFAOYSA-N 465.602 2.234 30 10 JEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(O)(c2ccccc2Cl)CC1 1539093610 AWGRECJJQVUPPB-INIZCTEOSA-N 466.007 2.443 30 10 JEEE C#CCN(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1539161465 FJJQJCZMPVVJDC-LNVKXUELSA-N 464.526 2.337 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1Cc1snnc1C)[C@H]1CCS(=O)(=O)C1 1539210294 BFTOIRNGENZOQS-HNNXBMFYSA-N 493.014 2.442 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1CC[C@H](C)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1539216030 MUKUZPYKBBUVPE-PZJWPPBQSA-N 456.616 2.231 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1Cc1ccc(C#N)o1)[C@@H]1CCS(=O)(=O)C1 1539229295 BKEPZZXIIXRCGA-MRXNPFEDSA-N 469.498 2.136 30 10 JEEE C#CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@H](NC(=O)CC)C1 1539520704 SQJQQXRIHSYYLK-SFHVURJKSA-N 451.600 2.378 30 10 JEEE C=C(Br)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](C#N)C1 1539600640 SWCQOFKTLJVLRM-CABCVRRESA-N 483.367 2.224 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)[C@@H](C)CC(N)=O 1539633529 ZJIBHQQZAANKQJ-CUWPLCDZSA-N 468.606 2.133 30 10 JEEE C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1539962998 IFDHCTCTWVPIRJ-UYAOXDASSA-N 457.623 2.155 30 10 JEEE C=CCCOCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1540020841 OFWDSAJRVADNKE-XLIONFOSSA-N 457.531 2.490 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1540867298 QXCNDWBORABPNY-MRXNPFEDSA-N 488.346 2.279 30 10 JEEE COCCNC(=O)N1CCC([C@@H]2CN(c3ccc(C#N)c(C(F)(F)F)c3)C[C@H]2C(N)=O)CC1 1548397474 XASQFBGRANPFLY-ZWKOTPCHSA-N 467.492 2.183 30 10 JEEE CN1CCC(CNC(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)(N2CCOCC2)CC1 1562533816 CWTSSHXHFLIPBK-UHFFFAOYSA-N 457.966 2.315 30 10 JEEE C[C@H](C#N)CNC(=O)CCNS(=O)(=O)c1cc(Br)ccc1Br 1565775597 GDDCKNWENOTGIE-SECBINFHSA-N 453.156 2.156 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H](C)Oc1ccccc1OC)[C@@H]1CCS(=O)(=O)C1 1588054015 JVDWFNNDKMSPCL-XUVXKRRUSA-N 488.610 2.275 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCC[C@@H](O)C1 1588472393 FKUNKAREYUBFQE-XKGZKEIXSA-N 463.579 2.218 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2Cc2ccc(C)n(C)c2=O)CC1 1588947293 MPJPWWBELXDNOB-UHFFFAOYSA-N 494.546 2.168 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1589514716 IEHAHPXBLQWADR-HKBOAZHASA-N 470.599 2.316 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CCC(C)CC2)CC1 1593883984 AAQQXCTZPNHMNI-KVZIAJEVSA-N 487.070 2.064 30 10 JEEE C=CCCOCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(CC(F)(F)F)CC1 1594807007 AZSXHQOTXVWDDF-UHFFFAOYSA-N 491.518 2.469 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCCS1(=O)=O 1595133419 GMHQJZJZRATWFA-OALUTQOASA-N 496.630 2.479 30 10 JEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](Oc2ccccc2Cl)C1 1595405609 UBRUGMOVNCKONB-CRAIPNDOSA-N 467.979 2.108 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@@H](C(=O)NCCCC)C1 1595550214 ADZASSWURVGMTF-WIYYLYMNSA-N 482.585 2.226 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1595823750 SEKKXAAUBOJXEU-MOPGFXCFSA-N 476.555 2.189 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CCc1ccn(C)n1 1613590769 HYNJODNWNVKTNS-UHFFFAOYSA-N 489.628 2.367 30 10 JEEE COc1cccc([C@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)[C@H](C)CC#N)N(C)C)c1 1619333721 GCNYWNHTKCJQHJ-KPFFTGBYSA-N 460.604 2.230 30 10 JEEE N#CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccc(C(F)(F)F)n2)CC1 1620353163 HLWGKWCILFBGGE-AWEZNQCLSA-N 454.478 2.382 30 10 JEEE C#CCN(C(=O)c1ccnc2c(C(=O)OCC)cnn12)C1CCN(C(=O)OC(C)(C)C)CC1 1634818502 RWBLEUBHBCJHKA-UHFFFAOYSA-N 455.515 2.381 30 10 JEEE C#CCN1CCC[C@H](NC(=O)[C@@H](CCSC)NS(=O)(=O)c2ccc3ccccc3c2)C1 1644638582 VANZXMQSLPPEDR-RBBKRZOGSA-N 459.637 2.454 30 10 JEEE C=CCC1(O)CN(C(=O)c2cc(S(=O)(=O)NCCOc3ccccc3)ccc2Cl)C1 1651763411 DYXBTVSDAPJESF-UHFFFAOYSA-N 450.944 2.460 30 10 JEEE Cc1c(Br)c(C)n(NC(=O)[C@H]2CCCN(C(=O)NCC(C)C)C2)c(=O)c1C#N 1654530697 FUCPQQMZVNPCHC-AWEZNQCLSA-N 452.353 2.247 30 10 JEEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H]2CCN(Cc3cc(OC)cc(OC)c3)C2)c1 1662105880 HGBHTGVBFQFLTE-LJQANCHMSA-N 459.568 2.172 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCNC(=O)Cc1cccc(F)c1 1689830480 AIJZPQRCZGBRRM-UUOWRZLLSA-N 457.550 2.275 30 10 JEEE C#CCCCn1c(-c2ccccc2OC)nnc1N1CCN(Cc2nc(COC)no2)CC1 1689923071 JOUZQKBUASVGAK-UHFFFAOYSA-N 451.531 2.219 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H]1CCCO[C@H]1C(C)C)[C@@H]1CCS(=O)(=O)C1 1689986087 IKRUVCCSBJWSKV-ZVDOUQERSA-N 457.600 2.418 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1Cc1nccn1C(F)F)[C@H]1CCS(=O)(=O)C1 1689996871 QAHXZUOEJBYRSJ-KRWDZBQOSA-N 490.536 2.432 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC(=O)NCC(F)(F)F 1690043251 VHTVBTACBPAEMS-UHFFFAOYSA-N 455.444 2.272 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2Cc2cc(C)on2)CC1 1690124846 VRIMWKZLQSMFDE-IBGZPJMESA-N 469.590 2.493 30 10 JEEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1690220071 QSLVDHVWNQHZPN-SNVBAGLBSA-N 488.330 2.145 30 10 JEEE C=C(Cl)Cn1c(-c2cc(Br)cn2C)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1690329994 AJUNXWWDJKUWMY-LBPRGKRZSA-N 477.816 2.269 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCCN(C(=O)CC2CCCC2)CC1 1690670354 ADYAZGXAPPVADJ-FQEVSTJZSA-N 458.607 2.093 30 10 JEEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)Cc1ccon1 1690670492 COOVJCHCCZVYEW-UHFFFAOYSA-N 459.551 2.319 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1690715325 IYMRYYHQNDMHST-HOTGVXAUSA-N 482.006 2.339 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N(C)CC1COC(C)(C)OC1 1690719321 KSNWULGOSGPBNK-UHFFFAOYSA-N 469.995 2.430 30 10 JEEE C[C@@H](c1ccco1)N(C)c1nnc(COc2ccc(C#N)cc2)n1CC(=O)N1CCOCC1 1692650592 AJQRYVXUNQXIKU-KRWDZBQOSA-N 450.499 2.378 30 10 JEEE CC[C@H](C)N(C)CCn1c(C(=O)NC(C)C)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1694241628 CNLOSBXDSCINGF-SFHVURJKSA-N 470.597 2.484 30 10 JEEE COc1cc2c(cc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CC#N)CC1)O[C@@H](C)C2 1697314501 HNXNFLQZYMARMZ-HOTGVXAUSA-N 488.614 2.399 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)c1nc(-c2ccccc2)no1 1705477216 KRTYCXYBZZSZHS-PMPSAXMXSA-N 457.560 2.200 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1Cc1cccs1 1705534248 CMSPIHYDMLDKML-IEBWSBKVSA-N 463.629 2.297 30 10 JEEE C#CCCCn1c(Cc2csc(C)n2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1705536131 IZSRVWGTDVDWFN-DYESRHJHSA-N 455.632 2.036 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H](CC)Oc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1705558536 AJLWRSLJVJVFQP-RTBURBONSA-N 491.589 2.040 30 10 JEEE C#CCN(c1nnc(C2CCC2)n1CCc1c(OC)cc(OC)cc1OC)[C@@H]1CCS(=O)(=O)C1 1705564348 BTUAYVJTNMOJRO-GOSISDBHSA-N 488.610 2.441 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1CC(C)(C)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1705565833 WWDTXRQVOVJLGV-GOSISDBHSA-N 488.614 2.270 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1cccc(N2CCOCC2)c1)[C@H]1CCS(=O)(=O)C1 1705566457 NOLBPTWUVRBVDB-QFIPXVFZSA-N 485.654 2.378 30 10 JEEE C#CCN(c1nnc(CSc2ccc(C)cc2)n1CC1([S@@](C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1705571784 IEQUVCGDRIUFRX-FZEVHQGJSA-N 492.692 2.417 30 10 JEEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCO[C@@H]1c1ccc(C)cc1 1705573274 DBOMEHWBASKYQZ-ILWGZMRPSA-N 469.611 2.437 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@]1(OC)CCOC1 1705579989 AQSUNOICNBOKNI-RUZDIDTESA-N 460.538 2.114 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCCN(C(C)=O)C1 1705597685 NRCOYJNQNDOZRM-FGZHOGPDSA-N 498.628 2.308 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)N2CCCC2)n1CCN1CCOCC1(C)C 1705618513 JVBMDWDSKNPXSL-UHFFFAOYSA-N 468.577 2.404 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2Cc2c(C)nn(C)c2C)CC1 1705650258 NSFQNGYVRONKCM-UHFFFAOYSA-N 451.600 2.295 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1705696075 LJRDEAJLUUSSII-LMMKCTJWSA-N 481.022 2.493 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 1705900060 OQKYHQKVAUJJIA-UHFFFAOYSA-N 455.563 2.478 30 10 JEEE C=CCNC(=O)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC(C)(C#N)CC1 1705907484 OJKMXUSWTMKSJW-UHFFFAOYSA-N 476.629 2.075 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(OC)cc2)nnc1N1CC[C@]2(CCOC2)C1 1705938112 NCHLVGHKPMMBNX-QFIPXVFZSA-N 462.572 2.083 30 10 JEEE COC[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC2(CCN(C)C2=O)CC1 1712143554 BSSJJBVFUJRLPS-SFHVURJKSA-N 452.559 2.460 30 10 JEEE COCC[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCS(=O)(=O)C2)C1 1712354760 HYYKSLMODJUCGH-PMACEKPBSA-N 473.599 2.416 30 10 JEEE N#C[C@@]1(F)CCN(c2nnc(-c3cccc(Br)c3)n2CC2(C(N)=O)CCOCC2)C1 1712874807 COKPPHSWJILIKW-FQEVSTJZSA-N 477.338 2.432 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H](c1cccnc1)C(C)C)[C@@H]1CCS(=O)(=O)C1 1722362021 QXGVGLUYUXBWDO-WOJBJXKFSA-N 465.583 2.197 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@@](C)(O)CCC)[C@@H]1CCS(=O)(=O)C1 1722363775 BVGPJVRMIPNKGT-ZHRRBRCNSA-N 466.554 2.325 30 10 JEEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1722682126 MKIDLYWTDHXZIT-QGZVFWFLSA-N 481.022 2.155 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)C1 1722708919 GLEGZZWSSIWDJM-DLBZAZTESA-N 450.584 2.453 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)c1ccccc1C 1722728965 URTIRXOYFJMVDO-ROUUACIJSA-N 466.629 2.287 30 10 JEEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN(C)C(=O)OC(C)(C)C)CC1 1722793668 CVASUSCKSGIKDI-UHFFFAOYSA-N 483.573 2.264 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(OC)c2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1740543811 WXRNMWPXLWPJPJ-ICSRJNTNSA-N 468.602 2.363 30 10 JEEE C#CCSCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1740710707 ASZBIUGRHIPKTG-HNNXBMFYSA-N 485.582 2.383 30 10 JEEE C#CCSCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC(NS(C)(=O)=O)CC1 1740716398 XQBJNOZXPDGWGX-UHFFFAOYSA-N 485.639 2.015 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC[C@H](S(C)(=O)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1740767463 OYHQPMXFAUZVRO-NVJIOZQYSA-N 482.647 2.313 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC2CCCCC2)CC1 1740794777 IBMALVIOQQZPRN-OAQYLSRUSA-N 465.664 2.475 30 10 JEEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(c2ncccn2)CC1 1740821366 FJCAWJUVHDWWQH-KRWDZBQOSA-N 490.996 2.456 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1740994821 UIJNJVCNBUPAAI-XMSQKQJNSA-N 452.621 2.386 30 10 JEEE C=CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1741003371 SRFXCUXEDKZWMR-LPHOPBHVSA-N 479.628 2.180 30 10 JEEE C[C@H](C#N)CN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCNC(=O)OC(C)(C)C 1741124673 GNICILCLGCSUDC-OAHLLOKOSA-N 462.576 2.469 30 10 JEEE CCC[C@@H](C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1745196609 GWSFCGFKKKICHD-DENIHFKCSA-N 493.612 2.197 30 10 JEEE C#CCCCCn1c(N2CCC[C@H](n3ccc(C(=O)NC)n3)C2)nnc1[C@]1(OCC)CCOC1 1748730661 POVHTOWMWJNRTP-CYFREDJKSA-N 469.590 2.131 30 10 JEEE C#CCCCn1c(N2CCN([C@@H](C)C(=O)NC3CCCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1748764769 VNUCCSOQZDCADN-HFZDXXHNSA-N 486.661 2.301 30 10 JEEE C#CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1CCS(=O)(=O)CC1 1748803279 QORQMXCMXXVWTJ-KRWDZBQOSA-N 451.593 2.244 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCN(CCC)C1)[C@H]1CCS(=O)(=O)C1 1748810185 STZIJQKVGDXUDP-HKUYNNGSSA-N 477.034 2.352 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1CC[S@](=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1748819410 OIGRIBUZANIYNT-DRKIFQHWSA-N 480.631 2.182 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1csc(COC)n1 1748858238 NJSMYHXWTOUOFQ-GOSISDBHSA-N 486.598 2.311 30 10 JEEE C#CCN(CC)c1nnc(-c2cc(Br)c[nH]2)n1CCNS(=O)(=O)c1ccccc1 1748914908 LIDPXKQLNRIRMV-UHFFFAOYSA-N 477.388 2.474 30 10 JEEE C#CCN(CC)c1nnc(COc2ccc(C#N)cc2)n1CC1(NC(=O)OC(C)(C)C)COC1 1748937330 HCCNCRGBJYXLNU-UHFFFAOYSA-N 466.542 2.482 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(N(C)C)CCC[C@@H](C)C1 1749066490 KGVJEAXFJMPUOF-WNXIRNOKSA-N 492.690 2.114 30 10 JEEE C=C(C)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1749187840 QHDBLCSTLWIDAX-GOSISDBHSA-N 455.588 2.473 30 10 JEEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N1CCC(O)(C(F)(F)F)CC1 1749226467 QHXGAUXWIXCHEM-UHFFFAOYSA-N 457.453 2.492 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1749653071 VNLRINUOGAVHKE-IBGZPJMESA-N 496.591 2.305 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1749671900 NBHKQWZTAWSYJT-GOSISDBHSA-N 464.574 2.054 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1749672545 XLVIUQVDULEUMD-UHFFFAOYSA-N 477.569 2.175 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CCN(C(=O)C(C)C)CC1 1749725511 WBTBCXLGGDGFFK-UHFFFAOYSA-N 459.616 2.413 30 10 JEEE Cc1cccnc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1751706733 DADBWPXIZZXWCV-UHFFFAOYSA-N 451.556 2.087 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCCO3)n2CC(=O)NCC2CC2)c1 1760128820 TTZOEXGVARGYAM-HXUWFJFHSA-N 450.543 2.102 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@@H]1COc2ccccc2O1)[C@H]1CCS(=O)(=O)C1 1760187475 WDRGNSXRQLXJRH-ZWKOTPCHSA-N 458.584 2.333 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCc1ccccc1OC(F)F)[C@H]1CCS(=O)(=O)C1 1760188390 KLGJPRZZVBJXMK-SFHVURJKSA-N 490.536 2.149 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCN(CC)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1760188886 QTPPLWLAFANQKQ-OALUTQOASA-N 495.646 2.056 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H](C)Oc1ccccc1OC)[C@H]1CCS(=O)(=O)C1 1760189205 GOIKANLXCZOETM-CTNGQTDRSA-N 495.605 2.367 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H]1CCCO[C@H]1C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1760189893 RAFDVPVPHIEPFT-CMKODMSKSA-N 472.615 2.203 30 10 JEEE C#CCN(c1nnc(CSc2ccc(C)cc2)n1CC(=O)NCC1CC1)[C@H]1CCS(=O)(=O)C1 1760191891 AWJIBVFIILGGAH-IBGZPJMESA-N 487.651 2.032 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2Cc2cnc(C)s2)CC1 1760251834 IXVQSJWVSKPNDR-UHFFFAOYSA-N 470.002 2.430 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccccc1OCC 1760295690 UWTOYBRVLYPPIE-XUZZJYLKSA-N 487.626 2.245 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2cccs2)CC1 1760316304 PMTJLECLQMZLFZ-NSHGMRRFSA-N 494.687 2.253 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CCN(c2ccnc(C)n2)CC1 1760519257 XOFUGJYLLRFCBZ-UHFFFAOYSA-N 497.401 2.435 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C)c(Br)c2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1760519305 ZIZOQHYHCFNWDW-AWEZNQCLSA-N 484.420 2.188 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@](C)(OC)C1 1760556902 SYPGUYVOBAWNNB-QFIPXVFZSA-N 458.588 2.123 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1760558142 HGVSGDWAXLJMAH-BSDSXHPESA-N 490.692 2.055 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2OC)nnc1N1CCO[C@H](C(F)(F)F)C1 1760558696 XQOABMVUSVQOFW-KRWDZBQOSA-N 490.504 2.234 30 10 JEEE Cc1cccc(C(=O)NCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@](C)(C#N)C2)c1 1761891163 DYKUXUZEKDWDJG-WMZHIEFXSA-N 470.599 2.049 30 10 JEEE CN1CCCC(C)(C)[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1 1767515933 FZQOUWFFVXCWNX-HXUWFJFHSA-N 451.575 2.175 30 10 JEEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(N(C)C)CCSC2)C[C@@H](C)O1 1769490184 BQOFHBWADXKDOH-MONBJTKQSA-N 456.616 2.494 30 10 JEEE C[C@@H](Oc1ccc(Cl)cc1S(=O)(=O)N(C)C)C(=O)ON1C(=O)c2ccccc2C1=O 1772794735 UXMXBSVFARSINR-LLVKDONJSA-N 452.872 2.112 30 10 JEEE Cc1ccc(S(=O)(=O)Nc2nnc(CCC(=O)Nc3ccc(C#N)cc3)c(O)n2)cc1C 1860920161 WGMMOMUTCVIBKQ-UHFFFAOYSA-N 452.496 2.438 30 10 JEEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1ccc2c(c1)OCCO2 1862419026 OXFVWFSPRFDORK-FQEVSTJZSA-N 458.417 2.450 30 10 JEEE COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CCN(C)C)cc(OC)c1O 1862632404 OIMFDCOHQWGKRM-FQEVSTJZSA-N 470.478 2.278 30 10 JEEE N#Cc1ccc(NC(=O)CNC(=O)C[C@H](c2cccc(Br)c2)c2nn[nH]n2)cc1 1868163524 QBTVEPRGJGECLK-MRXNPFEDSA-N 454.288 2.111 30 10 JEEE O=C(NCCCCCO)[C@H](Cc1c[nH]c2ccccc12)N=C1NS(=O)(=O)c2ccccc21 1869932103 UHDAPJXRIPDSAE-FQEVSTJZSA-N 454.552 2.097 30 10 JEEE CN(C)c1cccc(-n2nnc(C#N)c2NC(=O)CN2C(=O)c3ccc(Br)cc3C2=O)c1 1870155427 MOYUHXUPJYJATP-UHFFFAOYSA-N 494.309 2.202 30 10 JEEE C=CCn1cc(OCC(=O)N(C)C[C@H]2CCCO2)c(=O)cc1CN(CCO)Cc1ccccc1 1870547276 DDEOQAZVVNMBKG-HSZRJFAPSA-N 469.582 2.045 30 10 JEEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)c3cc(-c4cccnc4)nn3C)CC2)CC1 1889495038 AVHAKWMJZUVJSU-UHFFFAOYSA-N 464.614 2.133 30 10 JEEE CC(C)N1C(=O)CS[C@H](C(=O)N2CCO[C@@H](C(=O)N3CCCCC3)C2)[C@@H]1c1ccc(C#N)cc1 1890790521 RVOUJJVCLFJQHF-PUHATCMVSA-N 484.622 2.192 30 10 JEEE N#Cc1ccnc(O[C@@H]2CCN(C(=O)[C@@H]3CCCCN3S(=O)(=O)c3cccc([N+](=O)[O-])c3)C2)c1 1891674428 MNLHRILEPMFOBB-QUCCMNQESA-N 485.522 2.085 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CC(=O)NCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2185163755 QIAQTXPANIREGG-PKOBYXMFSA-N 460.380 2.220 30 10 JEEE CC(C)(C)OC(=O)NC1(C(=O)NCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CC(CO)C1 2193993595 YDOFDFFGALQLRL-UHFFFAOYSA-N 460.380 2.268 30 10 JEEE C=CCC1(C(=O)N2C[C@@H]3[C@H](C2)CN(C(=O)OC(C)(C)C)[C@H]3CO)CN(C(=O)OC(C)(C)C)C1 2227325121 MPKROUKQRCFSDQ-KURKYZTESA-N 465.591 2.486 30 10 JEEE CC1(C)OB(c2cc(C(=O)NCCNC(=O)OCc3ccccc3)c(O)cc2O)OC1(C)C 2248031740 GBWZTQVUIMVNAX-UHFFFAOYSA-N 456.304 2.053 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2CCO[C@H](CN(C)C(=O)OC(C)(C)C)C2)C1 2255152424 AWVNUCNQFWVDTO-WCCYLALTSA-N 451.564 2.387 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2csc(B3OC(C)(C)C(C)(C)O3)c2)[C@@H](O)C1 2255700285 AJKQBEYGDABACB-GJZGRUSLSA-N 452.382 2.147 30 10 JEEE CC(C)(C)OC(=O)NC1CC(O)(CNC(=O)c2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2255797707 KMRCFPHZWHISSW-UHFFFAOYSA-N 452.382 2.195 30 10 JEEE C=C(CS(=O)(=O)N1CC[C@H](C)[C@@H](NC(=O)C(F)(F)F)[C@@H]1C)B1OC(C)(C)C(C)(C)O1 2255799697 MMFBJXLBCZFUQO-FPMFFAJLSA-N 454.320 2.281 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2C(NS(=O)(=O)c3cscc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2255954049 RZHFPQUEMPTUSU-STQMWFEESA-N 470.422 2.191 30 10 JEEE Cn1nc(C(=O)NC[C@H]2C[C@H]2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2267171478 KSODOFLHOCPYNA-OLZOCXBDSA-N 468.791 2.263 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)[C@](C)(CO)C1 2267594987 GNPUJCAWOSDLGS-QFIPXVFZSA-N 466.409 2.491 30 10 JEEE C=C(CS(=O)(=O)N1CCC[C@@H]2CC[C@]21CNC(=O)C(F)(F)F)B1OC(C)(C)C(C)(C)O1 2267722157 IQWMUNHLINNQBW-KDOFPFPSSA-N 466.331 2.427 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(CNC(=O)[C@H]2C[C@@H](O)CN2C(=O)OC(C)(C)C)s1 2268632469 KTCDBLHTUQIMLG-GDBMZVCRSA-N 466.409 2.342 30 10 JEEE CC(C)(C)OC(=O)N[C@H](C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1)[C@H](O)C(F)(F)F 2280057696 QVWVROOYKDKNJC-KBPBESRZSA-N 475.273 2.136 30 10 JEEE Cc1nn(C)c(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]2C)c1B1OC(C)(C)C(C)(C)O1 2281977916 VSXQJXYIXHZDAL-JKSUJKDBSA-N 462.400 2.498 30 10 JEEE Cc1nn(C)c(C(=O)N2CCCN(C(=O)OC(C)(C)C)C[C@@H]2C)c1B1OC(C)(C)C(C)(C)O1 2281985508 KDUMCBJYVQTHJK-HNNXBMFYSA-N 462.400 2.499 30 10 JEEE CCc1nn(C)c(C(=O)N2C[C@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2281986559 UNWODMKRAMVWBX-FATZIPQQSA-N 460.384 2.021 30 10 JEEE C[C@H](CNC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 2282014850 JBCRZOSCUGQEJY-PEBXRYMYSA-N 481.424 2.180 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H](NC(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)C[C@]2(C)C1 2282064432 ZWSIQKJGGBFQLJ-JIQFQSSQSA-N 460.384 2.474 30 10 JEEE CO[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)N(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cn2C)C1 2282106320 WMWRIVHUVXOUTN-IAGOWNOFSA-N 463.384 2.079 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCOCCN1C(=O)OC(C)(C)C 2282326720 XHDBMDGLSPZYER-UHFFFAOYSA-N 482.408 2.467 30 10 JEEE Cc1nc(C(=O)NC[C@H]2CO[C@H](CNC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2282524403 JCRZFNNBJOUGBF-GJZGRUSLSA-N 481.424 2.410 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1[C@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2 2282582344 VJACIDHIZSJYSI-HRCADAONSA-N 460.384 2.013 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1[C@@H]2CCCN(C(=O)OC(C)(C)C)[C@@H]21 2282586586 AGQHNZPAUCEHJC-UAGQMJEPSA-N 460.384 2.155 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC[C@](O)(CNC(=O)OC(C)(C)C)C1 2282592916 JTBNAHNGDCGWRD-QFIPXVFZSA-N 481.424 2.243 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H]2OCCN(C(=O)c3ccoc3B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2282628158 SBBHPTHGCKBJRA-SJORKVTESA-N 462.352 2.429 30 10 JEEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CN(C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)CC2 2283068859 MCZHNKRYCJTDSL-HOTGVXAUSA-N 458.368 2.390 30 10 JEEE COc1ccc(NC(=O)[C@H]2COC[C@@H]2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2283968965 HJMQSKLYZXGSCJ-YJBOKZPZSA-N 462.352 2.473 30 10 JEEE C[C@H](NC(=O)C1(CO)CN(C(=O)OC(C)(C)C)C1)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2283969859 DEZHYHXBOBFVNZ-INIZCTEOSA-N 460.380 2.392 30 10 JEEE Cc1cc(S(=O)(=O)N[C@H](COCc2ccccc2)C(=O)O)ccc1B1OC(C)(C)C(C)(C)O1 2284406584 ZXVMLAGSFYJCMJ-HXUWFJFHSA-N 475.372 2.243 30 10 JEEE CCn1cc(C(=O)N2C[C@@H]3C[C@]3(CNC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2288264101 YOQLYVGFMHRSOH-WNSKOXEYSA-N 460.384 2.189 30 10 JEEE CC1(C)OB(c2sncc2C(=O)N[C@H]2CCOC[C@@H]2NC(=O)OCc2ccccc2)OC1(C)C 2315684420 NDYOJVZGHGFJDT-ROUUACIJSA-N 487.387 2.256 30 10 JEEE Cc1scc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2O)c1B1OC(C)(C)C(C)(C)O1 2343495118 UEXNWGBKJHCABR-HZPDHXFCSA-N 466.409 2.456 30 10 JEEE Cn1nc(C(=O)NC[C@H]2C[C@@H]3[C@H]2CCN3C(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2359268063 RVXQVVRTZUTRIJ-HLLBOEOZSA-N 460.384 2.095 30 10 JEEE O=C(CCSc1nnc(NN=C2CCCC2)[nH]1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 20836590 ZADNJHRTGJDLNL-UHFFFAOYSA-N 493.615 2.288 30 10 JEEE COc1ccc(/C=C2/Oc3c(CN4CCN(CCO)CC4)c(O)cc(C)c3C2=O)cc1OC 37857566 MUOFIMMYCMHGSU-HYARGMPZSA-N 454.523 2.444 30 10 JEEE N#Cc1ccccc1N1CCN(Cc2cc(=O)[nH]c(N3CCN(Cc4ccccc4)CC3)n2)CC1 40386575 WJVPAEUFFFBGBO-UHFFFAOYSA-N 469.593 2.286 30 10 JEEE NS(=O)(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2c2ccccn2)cc1 170353386 YSZWANALTAFZEX-IBGZPJMESA-N 480.458 2.420 30 10 JEEE C=CCNC(=O)CN1CCN(c2cnn(-c3cccc(C(F)(F)F)c3)c(=O)c2Cl)CC1 515542519 RJHTVYLOWSXFDK-UHFFFAOYSA-N 455.868 2.329 30 10 JEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)cc(Cl)c2)c(=O)n1C[C@H]1CCCO1 603989865 LEEOMUJJECXPFB-MRXNPFEDSA-N 464.374 2.201 30 10 JEEE C#CCN(C(=O)c1ccc(S(=O)(=O)Nc2ccc(OCC)cc2)cc1)[C@@H]1CCS(=O)(=O)C1 918755222 XUNXMRJVPICYEV-LJQANCHMSA-N 476.576 2.149 30 10 JEEE C=CCCCS(=O)(=O)N[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 1211748503 CZRJLMVFPITGKP-OAHLLOKOSA-N 451.408 2.488 30 10 JEEE C#CCN(c1nnc(C(C)C)n1CCCN1CCN(c2ccccc2)CC1)[C@@H]1CCS(=O)(=O)C1 1286386074 UCHKSYDNACJUHV-HSZRJFAPSA-N 484.670 2.241 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1286387397 QRKQTZGNAINWNL-PKOBYXMFSA-N 488.614 2.222 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@](C)(O)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1286393719 RRWFMJDLVRQCOR-QPPBQGQZSA-N 471.627 2.222 30 10 JEEE C#CCN(c1nnc(COc2ccccc2CC)n1Cc1cnn(CC)c1)[C@@H]1CCS(=O)(=O)C1 1286398538 YEYMALMESASRRD-OAQYLSRUSA-N 482.610 2.311 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@@H]2CCCN2CCCO)CC1 1286474256 GHRBYYGVFZTOEP-FQEVSTJZSA-N 473.021 2.209 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2C[C@H](C)N(C)C)CC1 1286475073 WOECBUWPQZOGSU-INIZCTEOSA-N 461.408 2.422 30 10 JEEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 1286537524 DWWFMDNZMKSXFE-OLZOCXBDSA-N 466.340 2.222 30 10 JEEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)c1nccs1 1286628444 ANXFBIUKBGLLAT-TZMCWYRMSA-N 461.013 2.060 30 10 JEEE C=CC[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(N)=O)C1)c1ccccc1 1286678933 HJMDZTJBKBPEEA-UFYCRDLUSA-N 457.600 2.242 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC(O)(c2ccccc2Cl)CC1 1286814228 NTARMIFTGWIGAT-UHFFFAOYSA-N 496.033 2.159 30 10 JEEE CCS(=O)(=O)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@@](C)(C#N)C1 1297689565 BSJHTYGIJFLIEN-NRFANRHFSA-N 479.006 2.426 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2C[C@@]2(O)CCC[C@H]2C)c1 1300337342 ZLWUTQHYNWKNLX-CJAUYULYSA-N 464.570 2.008 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC(=O)NCC=C)[C@@H]1CCS(=O)(=O)C1 1300483214 IUAQYXLKGBCSJA-FUHWJXTLSA-N 492.001 2.000 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1CC1(CCOC)CCCCC1)[C@H]1CCS(=O)(=O)C1 1300495085 CMOOZTYVIABUDZ-PMACEKPBSA-N 464.632 2.396 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCS(=O)(=O)CC=C)CC1 1300690801 QPYPYHPQLIQNLW-UHFFFAOYSA-N 451.955 2.094 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2CCC(C(F)(F)F)CC2)CC1 1300700877 YLRZGTHMFFHNDR-LXPRWKDFSA-N 473.565 2.304 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCc2ccc(CC)cc2)CC1 1300710890 PEHBDHNAWKUSAM-UHFFFAOYSA-N 450.587 2.187 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2CCN2CCSCC2)CC1 1300718966 JACMJGAMDLZZLQ-UHFFFAOYSA-N 456.591 2.099 30 10 JEEE C#CCSCCn1c(N2CCN(C(=O)c3ccco3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1300777772 CNNXTEDZNZXRQW-QHCPKHFHSA-N 473.599 2.241 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C1CCN(CCC)CC1 1300886049 VIWJESNGCGYMIT-ZJOUEHCJSA-N 465.664 2.472 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCN(Cc2cccc(Cl)c2)CC1 1301578462 BGSJWKNFDAFCIM-UHFFFAOYSA-N 490.033 2.255 30 10 JEEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCC(CC#N)CC3)n2C[C@@H]2CCCCS2)C1 1302477127 CLSQWBUZMOIWGI-ZWKOTPCHSA-N 468.649 2.027 30 10 JEEE C#CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)OC[C@H]2C1 1358913493 OXEFCHIMWLKXIR-QZTJIDSGSA-N 474.562 2.031 30 10 JEEE C#CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(CC(=O)N(C)C)CC1 1358929367 YNAOIHPREDNTPD-FQEVSTJZSA-N 487.649 2.016 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccnc(OC2CCOCC2)c1)[C@@H]1CCS(=O)(=O)C1 1358955562 OHRIFTZKAKDQMD-LJQANCHMSA-N 487.626 2.203 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@]1(N(C)C)CCSC1)[C@H]1CCS(=O)(=O)C1 1358959922 SEXOPEZDWLENCI-WMZHIEFXSA-N 489.667 2.018 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCCO2)n1CCN1CCN(C(C)=O)CC1 1359016913 PKMYEZBKCZFWOS-HSZRJFAPSA-N 468.577 2.463 30 10 JEEE C#CCSCCn1c(N2CCN(c3ccnc(C)n3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1359062049 UTDPVSHTGUNNBT-QHCPKHFHSA-N 471.631 2.110 30 10 JEEE C=C(C)COCCn1c([C@H]2CCCO2)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1359137726 YWVUVKWKJHCEDF-HXUWFJFHSA-N 479.578 2.372 30 10 JEEE C=CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1359343182 NQGWGPRQQHQICK-IBGZPJMESA-N 491.687 2.385 30 10 JEEE C=CCNS(=O)(=O)c1cccc(C(=O)NN2Cc3ccc(Br)cc3C2=O)c1 1453614962 HBCOHWMUJMPUBQ-UHFFFAOYSA-N 450.314 2.214 30 10 JEEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2CCCN2CCOC2=O)CC1 1507726588 JEWBJRPVLNIBMG-UHFFFAOYSA-N 452.559 2.071 30 10 JEEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@](C)(O)c2ccc(F)cc2)CC1 1507729240 ZLLHQHCDIVKIEK-HSZRJFAPSA-N 454.575 2.436 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@]2(C)COCCO2)CC1 1507734965 FXOISTDBSWCWHU-XMMPIXPASA-N 487.988 2.378 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCC[C@@H]2CCCCO2)CC1 1507741031 JVEAHFUVESEFLO-FKBYEOEOSA-N 473.618 2.317 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1C[C@H](c1ccccc1)N1CCOCC1 1507760333 XVRVLBMEFUEOSZ-PXDATVDWSA-N 450.587 2.482 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CCOCC)CCC1 1507772411 KFPMYCMMYMVGCW-SIKLNZKXSA-N 479.647 2.200 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccn2C)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1507801948 ZGXAHQXJHLBJBB-YLJYHZDGSA-N 462.620 2.125 30 10 JEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C)CNC(=O)OC(C)(C)C)CC1 1507882765 WDUYAKLGEMTJOK-CVEARBPZSA-N 456.613 2.206 30 10 JEEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1507964883 HOCJPLZRPKVWTB-UHFFFAOYSA-N 470.574 2.165 30 10 JEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](O)(c2ccc(F)cc2)C1 1507968182 QSWMAPLGPMGMAY-JTSKRJEESA-N 464.563 2.010 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1C[C@]1(N2CCOCC2)CCSC1 1508040779 AJSHEJSXUAZKMD-DENIHFKCSA-N 451.637 2.019 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CC[C@](O)(c2cccc(F)c2)C1 1508137725 QGPPCLMGBNLZBP-JOCHJYFZSA-N 459.547 2.121 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2cccc(OCC)n2)CC1 1508141193 LQKHTQWBRNWHPK-IBGZPJMESA-N 490.630 2.241 30 10 JEEE CC(C)NC(=O)c1nnc(N(C)[C@@H](C)CC#N)n1Cc1cccc(CN2CCO[C@@H](C)C2)c1 1509576648 CCIQPFOGMKFUCY-OALUTQOASA-N 453.591 2.424 30 10 JEEE CCOCC(C)(C)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCO[C@H](C#N)C1 1516434279 HEAJQMKJVBXJEJ-HSZRJFAPSA-N 481.645 2.434 30 10 JEEE CNC(=O)c1cccc(Cn2c(N3CCN(c4nccnc4C#N)C[C@@H]3C)nnc2C(C)(C)C)c1 1517496503 ABXITYJPLGPJBK-KRWDZBQOSA-N 473.585 2.360 30 10 JEEE COc1cc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCN2CCSCC2)cc(OC)c1OC 1517962682 HFEXPGWCFLVJPQ-JOCHJYFZSA-N 476.578 2.462 30 10 JEEE COc1ccc(CN(C)C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)cc1OC(F)F 1540607185 BCGGROWBSJXLJE-ZDUSSCGKSA-N 453.467 2.494 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1540863529 XZGHAPRLMZVRDL-VDGAXYAQSA-N 459.522 2.244 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1540899516 QUVXPDCVGJFGRR-OAQYLSRUSA-N 480.598 2.467 30 10 JEEE CC(=O)N1CCN(CCn2c(-c3ccccc3Br)nnc2N(C)C[C@@H](C)C#N)CC1 1541005748 YBDWLNPPQMUVAE-INIZCTEOSA-N 474.407 2.468 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1(C(N)=O)CCOCC1 1541805941 ASBQTZDQZDKBRX-IRXDYDNUSA-N 475.594 2.371 30 10 JEEE CNC(=O)[C@H]1CN(C(=O)c2cncnc2)CC12CCN(c1ccc(C#N)c(C(F)(F)F)c1)CC2 1548375361 JZGDNNATGHFIAH-LJQANCHMSA-N 472.471 2.472 30 10 JEEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1587898529 QYSMDYSODAOQRI-OTWHNJEPSA-N 463.579 2.145 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@](C)(O)c1ccsc1)[C@H]1CCS(=O)(=O)C1 1588055487 WKYNQJTYBVGGOD-WFXMLNOXSA-N 464.613 2.116 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CC(C)(C)CN(C)C)[C@@H]1CCS(=O)(=O)C1 1588059661 RPRHSLBMRBIDEP-HXUWFJFHSA-N 461.607 2.223 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1cn(CCCCC)nc1C)[C@H]1CCS(=O)(=O)C1 1588074260 LMVBAYJGGQSKEK-LEWJYISDSA-N 474.631 2.500 30 10 JEEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1588994428 VWKFSLQBAUSUIG-UHFFFAOYSA-N 493.655 2.189 30 10 JEEE C=C(C)COCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCO[C@H](CNC(C)=O)C1 1593696396 PAPDJSPJHNKCJS-OAQYLSRUSA-N 470.574 2.081 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H](c2ccnn2C)C1 1595490434 RKIHWODGZPMYFC-CQSZACIVSA-N 473.379 2.455 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2CC2(S(C)(=O)=O)CC2)C1 1595679852 CTNUBPCZHNXTHT-OAHLLOKOSA-N 484.420 2.405 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@](C)(O)C(C)C)C1 1595687653 BSJLANCGXGSGRI-CVDCTZTESA-N 477.631 2.384 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1C[C@H](C)O[C@H](C)C1 1595789149 NVQMBDIMTHMMMF-HDICACEKSA-N 456.572 2.345 30 10 JEEE CSC[C@@H]1CCCN1c1nnc(COc2ccc(C#N)cc2)n1CCN1CCCS1(=O)=O 1620258604 HWWUXIUOIVEVGQ-SFHVURJKSA-N 476.628 2.096 30 10 JEEE CC(C)(C)OC(=O)NCC(=O)N1CCC[C@H](CN2CCN(Cc3ccccc3)[C@@H](C#N)C2)C1 1621218309 BKQBZPHVXIBLGS-YADHBBJMSA-N 455.603 2.460 30 10 JEEE CCOC(=O)c1n[nH]c(C2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3C#N)CC2)n1 1622086450 CRQOFQXKFIJHKF-UHFFFAOYSA-N 457.434 2.440 30 10 JEEE CS(=O)(=O)c1ccc(S(=O)(=O)NC2CCC(Oc3ncccc3C#N)CC2)cc1F 1661502659 BJYIQTWRQAHDIV-UHFFFAOYSA-N 453.517 2.164 30 10 JEEE C#CCN([C@@H]1CCOc2ccc(Br)cc21)S(=O)(=O)N=[S@@](C)(=O)N(C)C 1661574809 RYKNLWCXUMNSPT-JBEBIEQOSA-N 450.380 2.027 30 10 JEEE CCOC(=O)c1c(S(=O)(=O)N2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)n[nH]c1C 1668971753 HERCUGRYZDUAFK-INIZCTEOSA-N 451.936 2.119 30 10 JEEE C#CCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1689973864 SZGFVLGQIMYNJN-TZIWHRDSSA-N 468.583 2.002 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H](c1cccc(F)c1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1689986782 XARHZYDCSWSDCE-CTNGQTDRSA-N 470.574 2.342 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1CCOc1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 1689990829 SLVFXIIBZYVIPA-DLBZAZTESA-N 464.975 2.141 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCCOC3)n2C[C@H]2CCC[C@H](O)C2)n1 1690109560 WBGOMKYYCPPNKO-VWPQPMDRSA-N 456.591 2.206 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(F)cc2)CC1 1690236431 MNNIBTAPTHSYHQ-LQWHRVPQSA-N 492.621 2.335 30 10 JEEE C=CCC(C)(C)Cn1c(COc2cc(C)ccc2C)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1690437788 PAFRWJZBWMPHTR-LJQANCHMSA-N 466.586 2.223 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N1CCN(CC)CC1 1690565607 NSXZJVSCSAPOJL-GGAORHGYSA-N 486.686 2.399 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 1690659168 LYISWDGTDYEKMS-SFHVURJKSA-N 491.527 2.466 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 1690667634 BRKIWVHHZPKCSC-GOSISDBHSA-N 451.575 2.117 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCC[C@H](C(=O)OC)C1 1690722525 MMNSRZSWQZJGAM-KRWDZBQOSA-N 471.583 2.427 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCCC3(CCOCC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1690731572 MKQZMNFCNZPIJB-HSZRJFAPSA-N 482.647 2.317 30 10 JEEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@H](n2cncn2)C1 1705509277 GFNSTPJIMAGQIV-FQEVSTJZSA-N 482.614 2.432 30 10 JEEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCCN1CCC[C@@H]1CO 1705559357 YXJQAEHQNAVAJI-HSALFYBXSA-N 460.623 2.355 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@](C)(O)c1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 1705567002 SCZYWFOJLJCLSJ-HCLVMJGWSA-N 493.029 2.360 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@]1(C)CN(C2CC2)C1=O 1705582124 ULCWWGXSSWILQK-BCHFMIIMSA-N 480.613 2.476 30 10 JEEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)C1CCCCC1 1705662039 OFNNUDONJYINJC-PKOBYXMFSA-N 469.677 2.382 30 10 JEEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1705664351 NDSRQUWTCPQMJO-SFHVURJKSA-N 485.639 2.430 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CC(=O)N(c2ccccc2)C1 1705709847 FHQAUOGPJMQPAS-QZTJIDSGSA-N 460.604 2.344 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CCN1CCOCC1 1705709914 SZLRJCFTSYTSSH-QPPBQGQZSA-N 466.586 2.478 30 10 JEEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)Nc2ccccc2CC)CC1 1705724888 WYNJVOSQMYDPSU-FQEVSTJZSA-N 451.575 2.128 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccccc2OC(F)F)CC1 1705769614 XQODYXHTVKMGFV-GOSISDBHSA-N 483.541 2.417 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCS(=O)(=O)C1 1705886129 UIOPLBSTXQWHEA-ROUUACIJSA-N 483.635 2.424 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCC(NC(=O)Nc2ccc(F)cc2)CC1 1705935372 PDIDJYXOTMJQCJ-UHFFFAOYSA-N 464.567 2.371 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1ccc(-n2cncn2)nc1 1708738599 CPZBGKWZJIXKBB-HSZRJFAPSA-N 462.562 2.351 30 10 JEEE CNC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCC[C@@H](O)C2)C1 1711347803 HHHBMOZAFNBEQU-VAMGGRTRSA-N 452.559 2.242 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(F)(F)F 1712442557 BMWOUXXIQIQXQC-INIZCTEOSA-N 457.478 2.267 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1CC(C)(C)C(=O)NC)[C@H]1CCS(=O)(=O)C1 1722364216 YCBRCNKPTJNUQZ-INIZCTEOSA-N 494.017 2.006 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1C[C@@H]1CC(=O)N(c2ccccc2)C1)[C@@H]1CCS(=O)(=O)C1 1722365390 NMXIOBPJMBINDR-SFHLNBCPSA-N 469.611 2.471 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCN(C)C(=O)OC(C)(C)C)CC1 1722438261 UQVHEPLOSKUYLJ-OAQYLSRUSA-N 482.585 2.413 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@@H]2CCN(CC(F)(F)F)C2)CC1 1722448427 BSVLNTHFORCCTJ-LJQANCHMSA-N 489.546 2.114 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CCOC)[C@@H](CC)C1 1722490805 DJMAZWBFONPVKC-ONTIZHBOSA-N 483.617 2.454 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccccc2CC)nnc1N1CCN(S(C)(=O)=O)CC1 1722498782 DWKRWDZTIIJVDO-NFBKMPQASA-N 489.642 2.482 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)NCC)CC1 1722508407 JAGBAPPWDQUJAD-PXNSSMCTSA-N 459.620 2.467 30 10 JEEE C=C(C)COCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2cccnn2)CC1 1722536199 LHMIPWTVHFCLNF-UHFFFAOYSA-N 460.542 2.438 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCOCC1 1722664270 VDLSYOLLRKFNOS-IBGZPJMESA-N 481.644 2.292 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCN2CCCS2(=O)=O)C1 1722719362 ZPENKLXDOXWUEN-QGZVFWFLSA-N 482.006 2.424 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H](NC(=O)CC)C1 1722729619 RBMZWEZOGLVVJE-INIZCTEOSA-N 481.569 2.243 30 10 JEEE CC(C)(C)[S@](=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1723018830 DVYYGZXQQMPTBG-PGUFJCEWSA-N 497.669 2.255 30 10 JEEE CC(C)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCc2cnn(C)n2)[C@H](C)C1=O 1723468871 FNSPNBNGZGVZDO-LJQANCHMSA-N 491.600 2.183 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1Cc1cnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1740620327 OXMZTOQETZBMKI-GOSISDBHSA-N 452.565 2.257 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(C(=O)NCC)CCC1 1740647851 XJPJXSIXQLNGGP-UHFFFAOYSA-N 467.595 2.118 30 10 JEEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cccc(C(=O)NCC)c1 1740668950 GFUMIBDPCVXJOT-UHFFFAOYSA-N 479.610 2.496 30 10 JEEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 1740719783 KYLWLRUGEFOETG-UHFFFAOYSA-N 492.653 2.267 30 10 JEEE C#CCSCCn1c(COc2ccc(C)c(C)c2)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1740721935 YLBAEIJFERJOLG-FQEVSTJZSA-N 472.636 2.467 30 10 JEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CC(=O)N(c3ccccc3)C2)CC1 1740833534 RYNKLXITPDAOIX-PKOBYXMFSA-N 472.615 2.344 30 10 JEEE C=CC[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1)c1ccccc1 1740855332 UURLSNBDLDVFBZ-SFTDATJTSA-N 486.642 2.392 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1740959341 SGQAEPNMOBELGQ-UHFFFAOYSA-N 460.517 2.288 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(C(=O)c2c(F)cccc2Cl)CC1 1740961832 JYPGIXRXKVRDLE-UHFFFAOYSA-N 497.962 2.321 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2ncc(CC)s2)C1 1740980199 IZJOMNDZWMENJF-HOTGVXAUSA-N 451.618 2.223 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1740989734 WJPGVHZQJIYXKM-QGZVFWFLSA-N 460.991 2.376 30 10 JEEE CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(OC(C)C)nc2)CC1 1746511175 CQXQLBHEYZDMLA-UHFFFAOYSA-N 488.596 2.305 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2C[C@@H]2CCOC[C@@H]2OC)c1 1748694928 URVVFKCCARZKSO-GMAHTHKFSA-N 474.565 2.372 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@]1(C)CN(C)C1=O)[C@@H]1CCS(=O)(=O)C1 1748807726 BXISQGGMVGRYKM-QVKFZJNVSA-N 496.420 2.357 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CC1(SC)CCN(C)CC1)[C@H]1CCS(=O)(=O)C1 1748809895 QFTRPFCKPAMCNO-NRFANRHFSA-N 498.678 2.271 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCN(C)[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1748810246 UXKAWILAZGOWLZ-WIYYLYMNSA-N 454.600 2.174 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2C[C@H](C)N2CCOCC2)CC1 1748977828 KEODJDJQMDDNIJ-VXKWHMMOSA-N 482.629 2.293 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccccc2OCC2CC2)CC1 1749001165 KOANFTLJINUOSM-UHFFFAOYSA-N 478.597 2.219 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CC(=O)NC2CCCCC2)CC1 1749009938 XVCCNWLAEVEDSO-UHFFFAOYSA-N 463.586 2.063 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1CC 1749067654 VVJHNAKAUAOQTM-NFBKMPQASA-N 457.600 2.214 30 10 JEEE C=C(C)Cn1c([C@H](C)CC)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1749170405 NKESPOGISCUHGG-VQHPVUNQSA-N 453.609 2.494 30 10 JEEE C=C(Cl)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1749277611 ICDOOTQXVHQQAR-HZPDHXFCSA-N 481.022 2.390 30 10 JEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C[C@@H]2CCOC2)C1 1749428095 YOJZPGGNMPOQDZ-UFYCRDLUSA-N 467.636 2.220 30 10 JEEE C=CCCOCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC(C(=O)NC)CC1 1749455441 VYVQPIWAIFGZGL-UHFFFAOYSA-N 479.585 2.230 30 10 JEEE C=CCN(CC=C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@]1(O)CCO[C@@H]1C 1749573566 PJVBPKAWOKTFHC-MZNJEOGPSA-N 450.543 2.393 30 10 JEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)c1sc(CC)nc1C 1749629910 KLGMFOZMCLDPJS-HUUCEWRRSA-N 454.622 2.322 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CCCn1cnc2ccccc21 1751209712 HJWOGLSNIXXRHS-MRXNPFEDSA-N 456.576 2.068 30 10 JEEE C#CCN(c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCC=C)[C@H]1CCS(=O)(=O)C1 1760181625 YOFDQXSDJIWVRP-SFHVURJKSA-N 490.655 2.140 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1Cc1cccn(CC)c1=O)[C@H]1CCS(=O)(=O)C1 1760182041 AXLFGQOYXLLSEY-QFIPXVFZSA-N 479.606 2.364 30 10 JEEE C#CCN(c1nnc(-c2ccc3ccccc3n2)n1C[C@@H](C)COC)[C@H]1CCS(=O)(=O)C1 1760183974 FROJWWQMHDGFAI-MJGOQNOKSA-N 453.568 2.403 30 10 JEEE C#CCN(c1nnc(C(C)C)n1Cc1ccc(Cn2cccn2)cc1)[C@@H]1CCS(=O)(=O)C1 1760184441 XHARZGUUAIWJGY-OAQYLSRUSA-N 452.584 2.321 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1Cc1cccc(C(F)(F)F)n1)[C@@H]1CCS(=O)(=O)C1 1760184997 NMMRIMFBAACOQU-MRXNPFEDSA-N 478.500 2.372 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1Cc1ccccc1CN1CCCC1=O)[C@H]1CCS(=O)(=O)C1 1760186033 JHHWGPVSLAZPJW-QFIPXVFZSA-N 483.638 2.274 30 10 JEEE C#CCN(c1nnc(-c2cn(C)c3ccccc23)n1C[C@@H](CC)OC)[C@H]1CCS(=O)(=O)C1 1760186797 AROABUZFJXKSIE-ZWKOTPCHSA-N 455.584 2.489 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCNC(=O)c1occc1C 1760195848 ACRGIBXFSCTSHZ-UHFFFAOYSA-N 479.562 2.143 30 10 JEEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1OCCC1(C)C 1760247650 JTNSOFSBNWCSIP-GOSISDBHSA-N 460.604 2.139 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@]1(O)CCSC1 1760249788 TTZGMAABSAZEOS-FDDCHVKYSA-N 479.647 2.347 30 10 JEEE C#CCSCCn1c(N2CCN3C(=O)OC[C@]3(C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1760286717 SMDSDSLDAUCKEA-MFEFFIJZSA-N 490.630 2.446 30 10 JEEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1760359174 HMHSXVDEDVDWQS-URXFXBBRSA-N 481.645 2.236 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 1760465118 XIQFXURLLVDQNZ-IAGOWNOFSA-N 453.609 2.450 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCOC[C@H]1C)C(C)C 1760489046 BFWXCBNHEHVJAS-HSALFYBXSA-N 451.637 2.104 30 10 JEEE C=CCOc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCN(CC)[C@@H](C)C2)cc1 1760530121 PXFOODLKXULBKT-ICSRJNTNSA-N 459.616 2.324 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCc2cccc(C(N)=O)c2)C1 1760534850 HLEJSMZZGPQBCM-LJQANCHMSA-N 461.526 2.048 30 10 JEEE COc1cc(OC)cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@]2(N(C)C)CCSC2)c1 1768388519 CNYZVZMEGSIPBQ-SIKLNZKXSA-N 458.588 2.128 30 10 JEEE CO[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1769564118 BLEFZNKFTROSOR-OAHLLOKOSA-N 487.611 2.128 30 10 JEEE COCC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[S@](=O)C(C)(C)C)CC1 1770684637 BZKPGFUPBGQEKJ-XIFFEERXSA-N 472.615 2.095 30 10 JEEE COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCNC=O)cc1OC 1862610251 GODIVSMBTSULEK-QFIPXVFZSA-N 482.489 2.189 30 10 JEEE O=C(C1=C(O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1ccccc1C(=O)O)c1ccc2c(c1)OCO2 1862628608 CIPTWXKKQIWUGG-JOCHJYFZSA-N 494.500 2.414 30 10 JEEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@@H]2c2ccc(O)c([N+](=O)[O-])c2)c1 1862705703 FCRHTRCYTMMOJE-LJQANCHMSA-N 455.423 2.023 30 10 JEEE C=CCNC(=O)C1=C(N)Oc2c(c(CC)nn2C)[C@H]1c1cc(Br)c(O)c(OC)c1 1864292737 HZOVNDMTUGTQTF-CQSZACIVSA-N 463.332 2.456 30 10 JEEE COc1cc(C(=O)NCC(=O)Nc2c(C#N)nnn2Cc2ccc(Cl)cc2)cc(OC)c1OC 1870106646 DDRMMGFMUAKNSB-UHFFFAOYSA-N 484.900 2.246 30 10 JEEE C=CCn1cc(OCC(=O)N(C)Cc2ccccc2)c(=O)cc1CN1CCN(C(=O)OCC)CC1 1870508216 OWEGXZATHURISX-UHFFFAOYSA-N 482.581 2.346 30 10 JEEE C=CCn1c(C(=O)NCCc2c[nH]c3ccccc23)cc2c(N3CCN(CCO)CC3)ncnc21 1873594244 PONDGPIYLIAELC-UHFFFAOYSA-N 473.581 2.185 30 10 JEEE CCCOC(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1cc(Cl)c(O)c(OC)c1 1874436304 VJXGHAOQFRNFEV-ODCIPOBUSA-N 455.924 2.209 30 10 JEEE CC(C)COc1cccc(OCC(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)c1 1890399265 PYMXAGAPMOAKTM-UHFFFAOYSA-N 457.615 2.359 30 10 JEEE CCN1CCN(CC#CCOC2CCN(C(=O)[C@H](C)n3nc(-c4cccs4)ccc3=O)CC2)CC1 1891100075 FBZJVYMHEPASDW-NRFANRHFSA-N 497.665 2.181 30 10 JEEE N#Cc1nc(-c2cccs2)oc1N1CCC(C(=O)N2CCN(c3ccc4nncn4n3)CC2)CC1 1891704131 PJWNCAWZOIMVTI-UHFFFAOYSA-N 489.565 2.278 30 10 JEEE N#Cc1cccnc1N1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 1892223911 NVBZPBIRECQSMT-LJQANCHMSA-N 493.511 2.474 30 10 JEEE C[C@H](CNC(=O)OC(C)(C)C)CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2247881529 ZTBUQKNGOPCJQR-CYBMUJFWSA-N 460.427 2.486 30 10 JEEE CC(C)(C)OC(=O)N1CC(F)(CNS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2255950987 XJVOAGJPIJEQND-UHFFFAOYSA-N 476.401 2.285 30 10 JEEE CON(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1)C1CCN(C(=O)OC(C)(C)C)CC1 2267139164 BXWQAVKURAJTCK-UHFFFAOYSA-N 450.345 2.112 30 10 JEEE Cc1nc(C(=O)NC[C@H]2COCCN2C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2267166241 PLVISFOUMHYYON-AWEZNQCLSA-N 467.397 2.116 30 10 JEEE CC(C)(C)OC(=O)N1CC(O)(CNC(=O)c2ccc(Cl)c(B3OC(C)(C)C(C)(C)O3)c2)C1 2267415085 WVTLBJPNQICUEP-UHFFFAOYSA-N 466.771 2.351 30 10 JEEE Cc1nc(S(=O)(=O)N(Cc2ccccc2)[C@@H]2CCOC2)c(B2OC(C)(C)C(C)(C)O2)n1C 2267474101 PAJPMBTWHIYQKP-GOSISDBHSA-N 461.393 2.008 30 10 JEEE C[C@H]1C[C@@H](NC(=O)C(F)(F)F)CCN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2267722054 TUFZSTVEFNHXJX-AAEUAGOBSA-N 482.355 2.267 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](C(F)(F)C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2268717079 WSPPURFUGDYNDR-NSHDSACASA-N 474.339 2.090 30 10 JEEE CCc1nn(C)c(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C)c1B1OC(C)(C)C(C)(C)O1 2281981047 XJMCFOUIGZJPNT-GOEBONIOSA-N 462.400 2.267 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@]23CC[C@H]2CN(C(=O)OC(C)(C)C)C3)n1 2282040711 MOUZEDMSLGBYRK-NPMXOYFQSA-N 460.384 2.096 30 10 JEEE C[C@H]1C[C@H](NC(=O)C(F)(F)F)CN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2282042268 BOERFZSDGHXOLS-AAEUAGOBSA-N 459.249 2.049 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@]2(CCN(C(=O)c3nscc3B3OC(C)(C)C(C)(C)O3)C2)C1 2282151550 SGKOWRFVBCMVOW-QFIPXVFZSA-N 479.408 2.294 30 10 JEEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)[C@@H](C#N)C1 2282350082 IDEBKVFOOQHLSO-INIZCTEOSA-N 477.392 2.119 30 10 JEEE CC(C)(C)OC(=O)N1CC2(C1)CN(S(=O)(=O)c1ccc(F)c(B3OC(C)(C)C(C)(C)O3)c1)C2 2282508117 RBQUHZUSODXHNF-UHFFFAOYSA-N 482.383 2.366 30 10 JEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C(=O)N2CCC(=CB3OC(C)(C)C(C)(C)O3)C2)[C@H]1OC 2284039973 LXYDZVHUJUUMBD-SQNIBIBYSA-N 466.384 2.426 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(NC(=O)[C@@H](CCC(N)=O)NC(=O)OC(C)(C)C)c1 2284148787 VJMMAYQZBFCMQN-MRXNPFEDSA-N 461.368 2.392 30 10 JEEE CC1(C)OB(c2ccccc2CS(=O)(=O)N[C@@H](COCc2ccccc2)C(=O)O)OC1(C)C 2284395127 IAVUSZUAASMSRA-FQEVSTJZSA-N 475.372 2.075 30 10 JEEE COc1ccc(C(O)=C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(O)cc2)cc1C 2297742598 OOKFRXWHUVWLJV-QFIPXVFZSA-N 452.507 2.463 30 10 JEEE CN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1)[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1F 2320555267 LSMLZXDZSRVVNL-OCCSQVGLSA-N 455.361 2.472 30 10 JEEE NC(=O)CSc1nnc([C@H]2CC(=O)N(Cc3ccccc3)C2)n1N=Cc1ccccc1F 2325918258 VEHMTPUGZRSETB-KRWDZBQOSA-N 452.515 2.393 30 10 JEEE O=C1C[C@@H](c2nnc(SCCO)n2N=Cc2ccc(O)c([N+](=O)[O-])c2)CN1Cc1ccccc1 2325924675 QHBUGRQHPCJSOC-QGZVFWFLSA-N 482.522 2.375 30 10 JEEE CN(C(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1)[C@]1(CNC(=O)OC(C)(C)C)CCOC1 2337406062 BJKGCDFPLFJIHA-NRFANRHFSA-N 467.397 2.198 30 10 JEEE CN[C@](C#N)(Cn1c(C)nc(I)c1I)C(C)(C)OC 2340694806 ZNIQKVPYTQCJKY-GFCCVEGCSA-N 488.111 2.308 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2C[C@H]1CN(C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)C2 2359281208 YBWVQKKUQAYAKA-ZOBUZTSGSA-N 458.368 2.151 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H](CNC(=O)OC(C)(C)C)C[C@@H]2C)n1C 2362335220 INNOPIGIXORWGV-HOCLYGCPSA-N 462.400 2.403 30 10 JEEE CC1(C)OB(c2sncc2C(=O)N2CC[C@](CNC(=O)C(F)(F)F)(C3CC3)C2)OC1(C)C 2362567396 CMKJEBICVHIQIH-LJQANCHMSA-N 473.326 2.363 30 10 JEEE CC(C)(C)OC(=O)N(CCO)CCC(=O)N1CCc2cc(B3OC(C)(C)C(C)(C)O3)ccc21 2368522300 ZTAIOYKALNEYBX-UHFFFAOYSA-N 460.380 2.494 30 10 JEEE C=CCn1c(=O)c2ccc(C(=O)N[C@@H](C)CC)cc2n2c(=O)n(CC(=O)N(C)c3ccccc3)nc12 64581543 FUUYFQORGNCOHQ-KRWDZBQOSA-N 488.548 2.188 30 10 JEEE N#Cc1cccnc1N1CCC(CNC(=O)C(=O)Nc2cccc(N3CCCCC3=O)c2)CC1 70897231 FGZBYABTCMZTMX-UHFFFAOYSA-N 460.538 2.441 30 10 JEEE COc1c(Br)cc(/C=N\N(CC(=O)O)CC(=O)O)c(OC)c1Br 169881011 UUXGEVPJHMAFQZ-XRVIQIRUSA-N 454.071 2.034 30 10 JEEE C#CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@@](C)(O)CC(=O)O 757308956 ZISBVTOQCRTLHB-BWKNWUBXSA-N 450.491 2.259 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CC(C)(C)OCC)[C@@H]1CCS(=O)(=O)C1 1286396332 PGJDOSSZJQDEGK-GOSISDBHSA-N 464.563 2.438 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCN(c2ccccc2OC)C1 1286446799 HWICCAONISUCLB-MOPGFXCFSA-N 457.600 2.175 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(C)(F)F)c1 1286465871 CCEDJAXVPMTZSN-KRWDZBQOSA-N 452.527 2.426 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2Cc2cccc(CS(C)(=O)=O)c2)CC1 1286492140 CVNYUBAJKTZRGO-JOCHJYFZSA-N 499.637 2.078 30 10 JEEE C#CCSCCn1c(Cc2cccnc2)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1286507994 MVFQGPGKFJNWDP-UHFFFAOYSA-N 460.563 2.363 30 10 JEEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 1286608129 YCDBKJXQSLEMNW-JOCHJYFZSA-N 451.575 2.127 30 10 JEEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)[C@H]1C[C@H](OCC)C1(C)C 1286788160 QXOFJRNIQHTNCF-PMACEKPBSA-N 482.633 2.394 30 10 JEEE CC(C)c1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CCC(=O)N1CCOCC1 1287206697 FENCQZGHCSFSIV-UHFFFAOYSA-N 465.602 2.234 30 10 JEEE C#CCN(CC#CC)C(=O)c1cc(Br)cn(CCNC(=O)OC(C)(C)C)c1=O 1294033928 JFGOYGIDQWQFQJ-UHFFFAOYSA-N 450.333 2.234 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(Br)cn2C)n1CCCN1CCOC1=O 1300559758 ZHLOXDHUKJMCHW-UHFFFAOYSA-N 459.348 2.351 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(C(=O)N(C)C)CCCC1 1300618642 KVRADLXGFLZHHT-UHFFFAOYSA-N 461.570 2.300 30 10 JEEE C#CCN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1CC1(S(C)(=O)=O)CCCC1 1300621270 KNMNZDPJIGNMJE-UHFFFAOYSA-N 454.556 2.411 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2CCc2noc(CC)n2)CC1 1300726809 ROUKAZMWHUAMPL-UHFFFAOYSA-N 477.569 2.031 30 10 JEEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1csc(C)n1 1300763930 UKLHIFRLQWKPOW-MSOLQXFVSA-N 496.684 2.084 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1300888127 HZMCOPJJFRURMI-XJUOHMSHSA-N 488.658 2.353 30 10 JEEE C=CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc2c(c1)OCCO2 1301413111 PFKFPXMSQZLEDE-UHFFFAOYSA-N 450.499 2.384 30 10 JEEE C=CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1301445295 DKFHJLUPOSSGJY-QRVBRYPASA-N 484.582 2.129 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@](C)(OC)C1 1301587330 YPHQKLXONHVPGB-QFIPXVFZSA-N 472.571 2.200 30 10 JEEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2COCCO2)CCN1CC(F)(F)F 1305204804 BPCNPHJOKCMJHC-APWZRJJASA-N 480.491 2.217 30 10 JEEE CCNC(=O)C(C)(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@@](F)(C#N)C1 1313970829 GVBUJVMDDCNOEY-JOCHJYFZSA-N 452.494 2.198 30 10 JEEE C#CCCCn1c(CSc2ccc(C)cc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1358935898 WYEQXOUSRNCCSW-UHFFFAOYSA-N 466.611 2.219 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1358954909 AHJQLRDENMBLHV-UYAOXDASSA-N 478.578 2.356 30 10 JEEE C#CCN(c1nnc(Cn2ccc3ccccc32)n1CCOCC(F)F)[C@@H]1CCS(=O)(=O)C1 1358965748 AJVPEBMVHSCKHM-GOSISDBHSA-N 477.537 2.190 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1C[C@H]1CN(Cc2ccccc2)CCCO1 1358991968 VHGFYXJSRBTWGI-HSZRJFAPSA-N 455.566 2.489 30 10 JEEE C#CCN(CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@H]1CCCN1S(C)(=O)=O 1359002726 KIWWPVNHFYIUTG-GOSISDBHSA-N 453.572 2.219 30 10 JEEE C#CCN(CCOC)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@@]1(O)CCOC1 1359027078 VCNDDWJCDFDGGM-FQEVSTJZSA-N 455.342 2.401 30 10 JEEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCCC(=O)NC2CC2)CC1 1359038341 SPWAYMFZUXYSOU-UHFFFAOYSA-N 450.587 2.288 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@@H](C(F)(F)F)C1 1359329414 IHOXCGYRYKZEII-QGZVFWFLSA-N 490.504 2.331 30 10 JEEE CC(C)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1359930320 CQXYBDBLLZQSQM-QGZVFWFLSA-N 460.546 2.348 30 10 JEEE CCS(=O)(=O)NCCn1c(-c2cccn2C)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1503281481 GENKRQLHVKPCEE-UHFFFAOYSA-N 483.598 2.142 30 10 JEEE COC[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCS(=O)(=O)C2)C1 1504682017 HDVIHKGEMMSWBV-UXHICEINSA-N 473.599 2.416 30 10 JEEE C#CCN(c1nnc([C@H](C)OCCOC)n1Cc1ccc2[nH]c(C)cc2c1)[C@@H]1CCS(=O)(=O)C1 1507625084 FVQUNWVJBLCSTB-GHTZIAJQSA-N 485.610 2.467 30 10 JEEE C#CCN(c1nnc(COCC)n1C[C@@H]1CCN(c2ccccc2F)C1)[C@H]1CCS(=O)(=O)C1 1507639122 VYSMHZZNYZEWCL-MOPGFXCFSA-N 475.590 2.107 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1NC(=O)CC1(C)C 1507650383 IXDDWTXUKYFBGC-RBUKOAKNSA-N 468.602 2.380 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccc(OC)c(F)c2)CC1 1507736070 KSDNDQCGNAWZSD-AREMUKBSSA-N 499.587 2.481 30 10 JEEE C=C(C)COCCn1c(N2CC[C@](C)(C(N)=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1507848200 HSQBPCYEYUXRLX-MFEFFIJZSA-N 462.595 2.343 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cnn(C)c1 1507997850 YSOSSANRHNWHKR-IBGZPJMESA-N 456.572 2.163 30 10 JEEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC(NS(=O)(=O)CC)CC1 1508067612 MOYYINWHFATQNA-KRWDZBQOSA-N 468.624 2.444 30 10 JEEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)CCCO2)C[C@H]1C 1519222073 CYEBUQYQWGWIID-DVECYGJZSA-N 454.575 2.455 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@H]1CCCCS1(=O)=O 1539026188 RIZYZIPKDFZSPR-GGAORHGYSA-N 484.670 2.068 30 10 JEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCNC(=O)OC(C)(C)C 1539238201 SGHZOCSBUAHDSY-UHFFFAOYSA-N 485.614 2.144 30 10 JEEE C#CCN(CC#C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CCNS(C)(=O)=O 1539239282 JHOJVNPDSMFFHM-KRWDZBQOSA-N 463.991 2.310 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3CC)n2CC2(C(N)=O)CCCC2)CC1 1539461454 GICMCGWKTKPPJO-UHFFFAOYSA-N 450.587 2.220 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCCOc2cccc(OC)c2)CC1 1539481368 MBKUKPNYAZUPIC-HXUWFJFHSA-N 467.570 2.226 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3CC)n2CC2(O)CCC2)CC1 1539488023 DWTFDQQSAMSBHO-UHFFFAOYSA-N 451.571 2.300 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(CC(=O)N(C)C)CC1 1539613060 TYGSOPCFLDKAFO-TZIWHRDSSA-N 458.607 2.190 30 10 JEEE C=C(C)COCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1539735158 GOHIYANMKNRFLL-UHFFFAOYSA-N 458.588 2.270 30 10 JEEE C=CC1CCN(c2nnc(-c3nn(CCC)c(=O)c4ccccc34)n2CCNS(C)(=O)=O)CC1 1539885227 ZJZDUWPDHMGPOW-UHFFFAOYSA-N 485.614 2.017 30 10 JEEE C=CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)c1ccccc1 1539939836 KSNNNHUBYFVVGJ-UZKOGDIHSA-N 483.642 2.425 30 10 JEEE CCS(=O)(=O)c1cccc(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c1 1540410676 FUBVNOGKRJJBJK-UHFFFAOYSA-N 454.508 2.491 30 10 JEEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@@H](OCC=C)C1 1540870818 XRYNCFJHJUQXNX-LJQANCHMSA-N 474.606 2.476 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Br)n2CCNS(=O)(=O)CC)C1 1540887995 HXGNVLQYNPFFHS-OAHLLOKOSA-N 484.420 2.428 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Br)nnc1N1CCC(C(=O)NC)CC1 1540900272 PZMZGJHQNLRXEU-UHFFFAOYSA-N 496.431 2.271 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1540908948 SKJYJYULNCYMAJ-PMACEKPBSA-N 497.017 2.496 30 10 JEEE Cc1cccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCNS(=O)(=O)c2ccccc2)n1 1542615848 HGSVYHXNNRYTGL-NRFANRHFSA-N 455.519 2.069 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(CC2CCCC2)n1CC(=O)N1CCOCC1 1555545388 DJOXXAMWBJINCM-UHFFFAOYSA-N 466.586 2.394 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCN1CCOCC1(C)C 1587630932 ADVIXBKCZXCPTN-LJQANCHMSA-N 452.607 2.021 30 10 JEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCCCN1C1CC1 1587931699 ALQPPVLYTGRJIE-HXUWFJFHSA-N 456.616 2.282 30 10 JEEE C#CCN(c1nnc(-c2cc(C)nc3ccccc23)n1CCOCC)[C@@H]1CCS(=O)(=O)C1 1588034205 BOBHFZKUQDTSDT-GOSISDBHSA-N 453.568 2.465 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CSCCS1)[C@H]1CCS(=O)(=O)C1 1588034567 IPAKTSNUQQPUPC-ZWKOTPCHSA-N 493.636 2.329 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H](Cc1ccccc1)OC)[C@H]1CCS(=O)(=O)C1 1588064184 CHKSWSUIINFHMA-XZOQPEGZSA-N 479.606 2.148 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1CCCN1c1cnn(C)c1 1588078579 ITJANYAYFBPTOZ-OAQYLSRUSA-N 490.999 2.337 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2CCO[C@@H]2C(C)C)CC1 1588762875 OTYQHBMUXZXPSR-IFMALSPDSA-N 471.627 2.165 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1588811137 ASXDELUBGGFWFF-UXHICEINSA-N 499.660 2.063 30 10 JEEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1588994630 YNHYQBRCFVQATK-IBGZPJMESA-N 464.613 2.342 30 10 JEEE C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccccc2C1 1589404030 GBUALRWUJQDADX-QGZVFWFLSA-N 482.404 2.082 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(CC(=O)NC)CC1 1589570882 XAXMLDFOSMGNMR-REWPJTCUSA-N 455.607 2.473 30 10 JEEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1593887345 YOBLFPWDDIZHFW-OALUTQOASA-N 497.040 2.498 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H]1[C@H]1CCCO1 1595823673 QAIZJZVINMYMCK-LEWJYISDSA-N 471.583 2.477 30 10 JEEE CC(C)NS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2OCCC[C@H]2C1 1610313169 GMXURLNFZXMGRO-PZJWPPBQSA-N 488.614 2.062 30 10 JEEE CNC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCOC[C@@H]2C)C1 1618653230 DSKXJRDFANNLBU-YSIASYRMSA-N 452.559 2.364 30 10 JEEE COCCN(CCC#N)c1nnc(-c2cccc(Br)c2)n1CCN1CCCS1(=O)=O 1619909570 BWVTXPFHALWGQM-UHFFFAOYSA-N 497.419 2.110 30 10 JEEE C#CCNC(=O)C1CCN(C(=O)Cn2c(CNC(=O)OC(C)(C)C)nc3ccccc32)CC1 1639425944 SSWVNTJZZBTUBD-UHFFFAOYSA-N 453.543 2.049 30 10 JEEE C#Cc1ccc(C(=O)N2CC[C@H]3[C@H](C2)NC(=O)N3C2CCN(C(=O)OC(C)(C)C)CC2)cn1 1642785687 UABAFAHUKBMYFY-PMACEKPBSA-N 453.543 2.071 30 10 JEEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H]2CCN(c3ccc(Cl)cc3F)C2=O)c1 1656343962 MKTYYTBPMOSJPV-KRWDZBQOSA-N 451.907 2.479 30 10 JEEE C#CCCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC(C(=O)NC)CC1 1689900807 QSDJEOVAGHXLSC-UHFFFAOYSA-N 477.657 2.409 30 10 JEEE C#CCCCn1c([C@H]2CCCOC2)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1689930345 PUTPEGVCEPXCGJ-FQEVSTJZSA-N 457.600 2.405 30 10 JEEE C#CCN(c1nnc(-c2cnn(-c3ccccc3)c2)n1CCN(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1689988258 LRCAZMDHFZBZCZ-QFIPXVFZSA-N 481.626 2.098 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1cccc(C(F)F)c1)[C@H]1CCS(=O)(=O)C1 1689990135 MBFSPNIQBNQKDD-MSOLQXFVSA-N 450.511 2.395 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCN(C)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 1689990225 NBXLIYGUDTYFEO-CTNGQTDRSA-N 463.648 2.063 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1Cc1ccc(C[S@](C)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1689992845 PPZZOSUFYCTCJO-KEEVHDRGSA-N 462.641 2.030 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CC1(CC)CCC1)[C@@H]1CCS(=O)(=O)C1 1689998083 BDNDIKMXOHQWKV-OTWHNJEPSA-N 450.605 2.209 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1689998106 BLRRKQWOAFIDSW-QYZOEREBSA-N 493.630 2.156 30 10 JEEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCC1(O)CCOCC1 1690018206 XOZKMHMZAKLSDC-UHFFFAOYSA-N 471.602 2.397 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccccc2OC)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1690028445 WRZCGZBGANSMGI-NHCUHLMSSA-N 497.621 2.143 30 10 JEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1nc(O)c2sccc2n1 1690154692 WUBLNCYADNIYNZ-UHFFFAOYSA-N 457.585 2.227 30 10 JEEE C=C(C)COCCn1c(CC(C)(C)C)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1690312740 BKZXVXIJBNVCIY-LJQANCHMSA-N 469.652 2.090 30 10 JEEE C=CCOc1ccccc1Cn1c(Cn2nc(C)cc2C)nnc1N1CCCN(S(C)(=O)=O)CC1 1690683398 JPBIEEGIEMLNFW-UHFFFAOYSA-N 499.641 2.225 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccc(NC(C)=O)nc1 1705481972 PSKGHLFKYBXVDE-OAHLLOKOSA-N 452.540 2.208 30 10 JEEE C#CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1705515171 WFSVVGUUFBZFAC-KRWDZBQOSA-N 478.644 2.055 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H](C)c1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1705572386 ZOENYWBHORFGRS-RMYQPGKMSA-N 491.614 2.037 30 10 JEEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2Cc2cccn(CC)c2=O)CC1 1705642533 WXECXSXECXGHCP-UHFFFAOYSA-N 460.582 2.459 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCc2cccc(OCC)c2)CC1 1705648167 PKLSDYGQCWNPEM-NRFANRHFSA-N 451.571 2.389 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](O)(c2ccc(F)cc2)C1 1705736780 CHRSJKLJJHGUAU-HTAPYJJXSA-N 464.563 2.010 30 10 JEEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1705739545 KHKWXNBBRIFHQN-UHFFFAOYSA-N 465.606 2.466 30 10 JEEE C=CCCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(CCOC)C(=O)C1 1705804998 VMLOTGFRYHYRBL-UHFFFAOYSA-N 451.531 2.245 30 10 JEEE C=CCN(CCc1ccco1)c1nnc(Cc2csc(C)n2)n1CC1(O)CCS(=O)(=O)CC1 1705879575 DMWTUIFCUYATSE-UHFFFAOYSA-N 491.639 2.402 30 10 JEEE C=CCNC(=O)Cn1c(N2CCO[C@H](c3ccc(CC)cc3)C2)nnc1[C@@]1(OCC)CCOC1 1705909337 UDOYEQNOKOKNSR-SQJMNOBHSA-N 469.586 2.373 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Br)nnc1N1CCO[C@@]2(CCOC2)C1 1705933115 UUZXQDRMGPVMMG-FQEVSTJZSA-N 497.415 2.304 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1705936598 USTAJDPRDFMHKP-SFHVURJKSA-N 461.636 2.363 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CCC1CC1 1706884110 AXPWAFRPWUMZIV-GOSISDBHSA-N 471.631 2.272 30 10 JEEE CC[C@H](C)c1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CCS(=O)(=O)N(C)C 1708509398 ANINVWDKUAVBKK-IBGZPJMESA-N 473.647 2.267 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@]1(O)CCSC1 1708753938 CSYXTORRPGKDTD-RUZDIDTESA-N 497.669 2.258 30 10 JEEE CN(C)C(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cccs2)CC1 1710990280 AOJHLZRVHKYMSP-UHFFFAOYSA-N 465.583 2.049 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc(C)o3)n2CCN/C(O)=C2\N=CC=CC2=O)c1 1722306176 ZGYFHUFQVGUIIP-WJTDDFOZSA-N 499.531 2.429 30 10 JEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(Oc2cncc(Cl)n2)CC1 1722308870 RDHXYEBUBQWTDT-HNNXBMFYSA-N 482.010 2.183 30 10 JEEE C#CCCCn1c(N2CCN3C(=O)N(CC(C)C)C[C@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1722340528 BGSYLAOGWXVYDN-HYBUGGRVSA-N 458.607 2.314 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(Br)ccc1OC 1722429415 QQKCUKHWNGCEPE-OAHLLOKOSA-N 497.415 2.086 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCCN2CCCC[C@@H]2C)CC1 1722443153 DHUJLYYMQJLEKZ-HFZDXXHNSA-N 486.661 2.161 30 10 JEEE C=C(Br)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1722480937 VUPUNKMVMSHQIF-RHSMWYFYSA-N 481.347 2.231 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N(C)CCN2C[C@H](C)O[C@H](C)C2)nnc1[C@@]1(OCC)CCOC1 1722501832 QHLPHUSHOGEICF-NPKKMJAZSA-N 477.650 2.457 30 10 JEEE C=CCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC2(CCN(C)C2=O)CC1 1722623981 PLKQHVZLSNVAOI-UHFFFAOYSA-N 487.626 2.390 30 10 JEEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)[C@H]2CCCC[C@@H]21 1722629549 LRKIMYDWNLIOQF-YRPNKDGESA-N 467.636 2.219 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCC[C@H]1c1nncn1C 1722729704 UUTNUFZMJYMJBI-IBGZPJMESA-N 455.588 2.248 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](CNC(C)=O)C1 1722731343 KRZYWLYVKBLDJQ-LJQANCHMSA-N 454.575 2.382 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1722752193 YJJPKXSFMBKIHO-ZWKOTPCHSA-N 476.599 2.426 30 10 JEEE CC(C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCC[C@@H](O)C2)CC1 1723652042 FGENXUHFAJPNNO-IFMALSPDSA-N 465.602 2.014 30 10 JEEE Cc1cc(C)n(Cc2nnc(N(C)C[C@@H](C)C#N)n2Cc2ccccc2CN2CC[C@@H](O)C2)n1 1725928071 GVJDKEJJWNZBBA-FDDCHVKYSA-N 462.602 2.351 30 10 JEEE CCNC(=O)C1(Cn2c(N3CCN(c4c(C#N)c(C)nn4C)CC3)nnc2C(C)(C)C)CCC1 1728657735 GCWZMNVTYMQLDM-UHFFFAOYSA-N 467.622 2.122 30 10 JEEE COC[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCCN(c2ccccc2C#N)CC1)OC 1730473109 HYJHZZSOWNPNIQ-QFIPXVFZSA-N 478.601 2.390 30 10 JEEE N#C[C@@H]1CN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@H]2CCCN2CCCO)CCO1 1731185658 AZBDHTIBNGASFG-PKOBYXMFSA-N 462.501 2.122 30 10 JEEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)NCc2ccc(F)cc2)CC1 1740594075 AJBOLYOYNKQWRK-UHFFFAOYSA-N 466.561 2.486 30 10 JEEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCNC(=O)c1cccc(C)c1 1740608325 ABPUVOPFXOQJFC-UHFFFAOYSA-N 458.570 2.260 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1ccc(C(C)(C)O)cc1)[C@H]1CCS(=O)(=O)C1 1740620906 HQZRKXTWTJERSG-FQEVSTJZSA-N 465.579 2.243 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1csc(-c2ccco2)n1 1740645515 HCVDWRCHFQHVEL-OAHLLOKOSA-N 458.569 2.116 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccc(C[S@](C)=O)cc2)CC1 1740692276 ICAAOMSJYIUWBZ-GZGVDWRWSA-N 485.654 2.001 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCCc2ccc(OC)c(OC)c2)CC1 1740705574 JHPZQUIOVDNWDZ-OAQYLSRUSA-N 481.597 2.398 30 10 JEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1740720465 ZIYPXUYPNMWHTN-UHFFFAOYSA-N 477.638 2.351 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1740767173 MZJXFSCVJDXLGE-XLIONFOSSA-N 496.659 2.072 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(c2ncc(F)cn2)CC1 1740952453 FEIMQJYVIGNBQZ-MRXNPFEDSA-N 484.511 2.115 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N(C)C1CCN(C(=O)c2ccccc2)CC1 1740955980 KAPHUKKWNZLLHR-UHFFFAOYSA-N 461.570 2.327 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@H](CNC(C)=O)C1 1740956705 OWHZAPSTUYHMTA-MRXNPFEDSA-N 460.966 2.262 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H]2CC[C@@H]21 1740959960 HYFDUTFGTMDOMC-FGTMMUONSA-N 460.579 2.268 30 10 JEEE C=CCOc1ccccc1Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](CNC(C)=O)C1 1740971766 WNIPZVXEBYWXGV-JOCHJYFZSA-N 479.585 2.094 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCCN(C(C)=O)CC1 1740986639 CKQUFVYQUVHOQG-QGZVFWFLSA-N 479.578 2.217 30 10 JEEE CC(=O)N1CCN(CCn2c(COc3cc(C)ccc3C(C)C)nnc2N2CCO[C@@H](C#N)C2)CC1 1741056978 FJNXATYDSSMDSD-QFIPXVFZSA-N 495.628 2.182 30 10 JEEE Cc1nn(C)c(N2CCN(c3nnc(-c4ccc(C#N)cc4)n3C[C@@](C)(O)C(C)C)CC2)c1C#N 1742668996 HXUUVQZUPVIQIR-RUZDIDTESA-N 473.585 2.464 30 10 JEEE C[C@H]1CN(C(C)(C)Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@H](C(N)=O)C2)C[C@@H](C)O1 1743196360 APUPLQSMHPXROB-QKLQHJQFSA-N 451.575 2.016 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC1CCN(CC(F)(F)F)CC1)[C@H]1CCS(=O)(=O)C1 1748812654 YQQZQUNNQPSQIB-KRWDZBQOSA-N 484.548 2.174 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCN(C)c1ccccc1F)[C@H]1CCS(=O)(=O)C1 1748818081 VIEVYBDHVRLDAY-UXHICEINSA-N 489.617 2.464 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@@H](C)CN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1748818470 BUHDOYQBZJQMNJ-SIKLNZKXSA-N 473.618 2.367 30 10 JEEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1C[C@]1(C)CCCO1)[C@@H]1CCS(=O)(=O)C1 1748824537 PZIHNVALRZBJIK-JPYJTQIMSA-N 474.583 2.062 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC2CCCCC2)CC1 1749038511 KPQPKFJZMXSTHL-HXUWFJFHSA-N 465.689 2.249 30 10 JEEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCN2S(C)(=O)=O)C[C@@H](C(F)(F)F)O1 1752321023 HYPZSGSQOXDDKA-OLMNPRSZSA-N 498.531 2.397 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCc1nc2c(s1)CCCC2 1760097978 MKJWROXBNHTOBS-LSDHHAIUSA-N 450.634 2.314 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1cccc(C(F)(F)F)n1)[C@@H]1CCS(=O)(=O)C1 1760191850 AMIIQGSAYHDCOH-HZPDHXFCSA-N 469.489 2.218 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(C)n2)n1CCCN1CCN(c2ccncc2)CC1 1760200350 FCDGQBGKDZOXIW-UHFFFAOYSA-N 454.582 2.329 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CCOCC(F)(F)C(F)F 1760216317 JEVWNPOEVDAEGX-UHFFFAOYSA-N 455.412 2.386 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@H]1CCCN1S(C)(=O)=O 1760244277 PKCJBTPVWLWPAV-LJQANCHMSA-N 482.610 2.312 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@H]2CCOC[C@H]2OC)CC1 1760270918 FOSMUQOFOQCJES-JTHBVZDNSA-N 481.597 2.183 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@](C)(O)c2ccco2)CC1 1760270951 GIENCSWIFGHUTB-AREMUKBSSA-N 488.548 2.195 30 10 JEEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1760285202 ZRHJDDFPHWXFPJ-INIZCTEOSA-N 452.506 2.135 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCCN(CC(F)(F)F)CC1 1760325413 QRWVGOGAAUBOFJ-FXAWDEMLSA-N 470.540 2.456 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1760412617 OSOQIFLFSDTBIL-FQEVSTJZSA-N 475.663 2.228 30 10 JEEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1760457153 IDBULIRASSJEBD-RTBURBONSA-N 476.647 2.317 30 10 JEEE C=CCOc1ccccc1Cn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1760534430 YFOILRQXZSPCJH-UHFFFAOYSA-N 475.597 2.087 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(Cc2cc(F)ccc2OC)CC1 1760553462 CZQMXMPGUTVZKV-UHFFFAOYSA-N 463.579 2.226 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H]1C 1760554802 NCFKYINQFFHHHN-IAGOWNOFSA-N 469.608 2.176 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1(C(N)=O)CCOCC1 1760698147 CSVRPOOOCOPBCJ-IRXDYDNUSA-N 475.594 2.228 30 10 JEEE COCC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cnccc2OC)CC1 1769151104 HDSSQEUACMYKHX-UHFFFAOYSA-N 461.526 2.000 30 10 JEEE COc1ccc(CCN2C[C@@H](C(=O)Nc3c(C#N)nnn3Cc3ccccc3)CC2=O)cc1OC 1870109221 NOSCEBJSOMFFME-IBGZPJMESA-N 474.521 2.245 30 10 JEEE C=CCn1cc(OCC(=O)Nc2ccccc2F)c(=O)cc1CN1CCN(C(=O)OCC)CC1 1870755440 ONJIXQPSLYHISZ-UHFFFAOYSA-N 472.517 2.465 30 10 JEEE COc1ccc(Cc2nnc(SCC(N)=O)n2/N=C/c2cc(OC)c(OC)cc2OC)cc1 1874350579 TYBATJDQNGIFDL-WYMPLXKRSA-N 471.539 2.363 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1cc(Br)ccc1C#N)C1CS(=O)(=O)C1 2197525890 UNGGTLQXGPIMJQ-CQSZACIVSA-N 458.334 2.197 30 10 JEEE CC1(C)OB(c2scnc2C(=O)N[C@@H]2CCOC[C@H]2NC(=O)OCc2ccccc2)OC1(C)C 2255812999 PVNFSTXGYIIJSK-IAGOWNOFSA-N 487.387 2.256 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H](CO)NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2255939614 CBIDQBCBPQJAJL-AWEZNQCLSA-N 454.760 2.255 30 10 JEEE CCCN(CCNC(=O)OC(C)(C)C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nn(C)c1C 2267146883 NIJHZDWMPBESTN-UHFFFAOYSA-N 450.389 2.405 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)CCO1 2267147026 NXKLMNFBKBTFSM-KGLIPLIRSA-N 467.397 2.244 30 10 JEEE CC1(C)OB(c2csc(S(=O)(=O)N3CCC[C@@H](CNC(=O)C(F)(F)F)C3)c2)OC1(C)C 2267370776 QPAIKBLZUWMRHL-LBPRGKRZSA-N 482.355 2.127 30 10 JEEE C[C@@H](NC(=O)[C@H](O)C(C)(C)NC(=O)OC(C)(C)C)c1nscc1B1OC(C)(C)C(C)(C)O1 2268686663 FUFGLASFARCWCP-DOMZBBRYSA-N 469.413 2.284 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)CC[C@@H]1C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)s1 2268784952 ITDQBCSCOWYNPJ-GOEBONIOSA-N 466.409 2.424 30 10 JEEE COC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)Oc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2269019388 FEXCZACTBZXLFV-IUODEOHRSA-N 454.304 2.354 30 10 JEEE CC(C)(C)OC(=O)N1CCC(C(=O)O)(C(=O)NCCC#CB2OC(C)(C)C(C)(C)O2)CC1 2271460382 GGIZJGGLZIBCKA-UHFFFAOYSA-N 450.341 2.229 30 10 JEEE CC(C)(C)OC(=O)N[C@@]12CCC[C@@]1(F)CN(C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C2 2281986730 VGSXVKTYGIBPHS-FGZHOGPDSA-N 464.347 2.320 30 10 JEEE CCn1cc(C(=O)N[C@@H]2[C@H]3CCCN(C(=O)OC(C)(C)C)[C@H]32)nc1B1OC(C)(C)C(C)(C)O1 2282042423 GYCGQQCGGGASKS-DJIMGWMZSA-N 460.384 2.330 30 10 JEEE C[C@@H](NC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)C1CCN(C(=O)OC(C)(C)C)CC1 2282045866 DCUYJVAKUPCDOH-OAHLLOKOSA-N 462.400 2.485 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2COCCN2Cc2ccccc2)n1 2282051464 UHWGOXVPFCNTOK-HXUWFJFHSA-N 451.376 2.320 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CCCN(C(=O)c3ncncc3B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2282099588 JSPPFEHRVNLGJC-DOTOQJQBSA-N 458.368 2.247 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(C(=O)N2C[C@@H](O)C[C@H]2CNC(=O)OC(C)(C)C)c1 2282108653 BGWFCMGMERZFRJ-OALUTQOASA-N 460.380 2.394 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1S(=O)(=O)NC1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 2282488730 AUXSIMYPXJXMSY-IRXDYDNUSA-N 478.420 2.438 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@]12CCC[C@@H]1N(C(=O)OC(C)(C)C)CC2 2282538045 ZVZHNRMPFIZBCQ-QMHKHESXSA-N 460.384 2.381 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C3(CCC3)C2)n1 2282543157 NKTSCCOUJUXJHF-OAHLLOKOSA-N 460.384 2.381 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCC[C@@H](NC(=O)C(F)(F)F)[C@H]2C)n1 2282550784 DHAVVAYCSSYNPP-UKRRQHHQSA-N 455.286 2.361 30 10 JEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CCNC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2282585897 RGZSTGHRGQYVKD-JKSUJKDBSA-N 462.400 2.342 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]3C[C@H]32)n1 2282592949 KFQWLBPPUHFOJZ-UAGQMJEPSA-N 460.384 2.330 30 10 JEEE CC(C)(C)OC(=O)NCCC1(O)CCN(C(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)CC1 2282629391 VHIRNRZFFYKKSZ-UHFFFAOYSA-N 481.424 2.324 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)[C@H](NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)C2 2282679183 WRJCDAYMAJZRIM-YQQAZPJKSA-N 458.368 2.151 30 10 JEEE COC[C@]1(C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)CCCN1C(=O)OC(C)(C)C 2284059418 TWQPDTPWMPUJAJ-QFIPXVFZSA-N 481.424 2.475 30 10 JEEE CC1(C)OB(c2ccccc2S(=O)(=O)N[C@@H](COCc2ccccc2)CC(=O)O)OC1(C)C 2284398137 USKNOOLINDVTJZ-GOSISDBHSA-N 475.372 2.324 30 10 JEEE COc1ccc(C(O)=C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 2295982158 SGRLCOBYUJFTHN-HSZRJFAPSA-N 482.533 2.466 30 10 JEEE CCN(CC)S(=O)(=O)c1ccc(C(O)=C2C(=O)C(=O)N(CCOC)[C@@H]2c2ccc(O)cc2)cc1 2296851852 PEUHHPWIPHHSGU-OAQYLSRUSA-N 488.562 2.491 30 10 JEEE COc1cc(C=Nn2c(CNC(C)=O)nnc2SCC(=O)OCC(C)C)cc(OC)c1OC 2330784261 BMOVBRIFCNJKRP-UHFFFAOYSA-N 479.559 2.114 30 10 JEEE Cc1ccc(NC(=O)[C@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2360552028 WAWWEMKQMZZYAB-KRWDZBQOSA-N 482.408 2.171 30 10 JEEE COCCn1cc(/C=N/Nc2nnc(SCC(=O)Nc3ccc(Cl)cc3Cl)n2N)cn1 59914170 KVVNWRUSKTZGRX-QPSGOUHRSA-N 484.373 2.318 30 10 JEEE C=CCNC(=O)CN1CCN(C(=O)[C@H]2CCC(=O)N(CCCC)[C@@H]2c2ccccc2OC)CC1 512718328 LZUGIJJTYFGBPN-SQJMNOBHSA-N 470.614 2.221 30 10 JEEE C=CCn1c(SCC(=O)N(CC(C)C)[C@@H]2CCS(=O)(=O)C2)nc2sccc2c1=O 514294493 OYGGFDAAVNHSPH-CQSZACIVSA-N 455.627 2.408 30 10 JEEE CC(=O)c1ccccc1NC(=O)CCCN1CCN(S(=O)(=O)c2ccccc2C#N)CC1 552457128 IICUHNDRLRBTGB-UHFFFAOYSA-N 454.552 2.486 30 10 JEEE C[C@@H]1Oc2ccc(C(=O)C[S@@](=O)CC(=O)Nc3sc4c(c3C#N)CCC4)cc2N(C)C1=O 586353211 VTRZSTFVRMFLIC-PYFHWHSVSA-N 471.560 2.422 30 10 JEEE CS(=O)(=O)c1ccc(Cl)c(S(=O)(=O)NCc2ncc(-c3cccc(C#N)c3)[nH]2)c1 1188600154 CLEZJUCNXDQTRC-UHFFFAOYSA-N 450.929 2.484 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cc2ccccc2o1 1286297889 YOWKOMBBCZILDG-UZLBHIALSA-N 457.556 2.058 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CCO[C@@H]1CCCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1286384835 UANKYQFZRLQCTN-BLRYILKCSA-N 494.658 2.152 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H](C)Oc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1286387485 RTHLGGRIQJXZDB-RBUKOAKNSA-N 481.578 2.443 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CCOCC(F)F)[C@H]1CCS(=O)(=O)C1 1286388641 SUEPCEGCZJXPMF-SFHVURJKSA-N 452.527 2.416 30 10 JEEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1286437597 PEDSYROBWGFUNA-YLJYHZDGSA-N 459.513 2.043 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@H]2CCOC[C@H]2OC)CC1 1286475193 ZBEYLXNENNBYIV-NFBKMPQASA-N 469.586 2.159 30 10 JEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC(NC(=O)c2ccsc2)CC1 1286494544 NCZLGVUVYIQSJZ-UHFFFAOYSA-N 472.640 2.341 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccc(OC)c(OC)c2OC)CC1 1286494929 QUWGVGHLULWYHK-HXUWFJFHSA-N 483.569 2.170 30 10 JEEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(N2CCNC2=O)CC1 1286511305 ILEZXLWDVWTTFC-UHFFFAOYSA-N 465.583 2.089 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCN1CCN(CC)CC1 1286518632 XRBZJCSGMSNIKU-RUZDIDTESA-N 484.670 2.368 30 10 JEEE C=C(C)Cn1c(N2CCCN(CC(=O)N(CC)CC)CC2)nnc1[C@]1(OC(C)C)CCOC1 1286599431 UUNWBQNRUFZJJJ-DEOSSOPVSA-N 462.639 2.275 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCCN(C(C)=O)CC1 1286781299 WRHFMZSMQLOXEP-LJQANCHMSA-N 454.575 2.396 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2ncc(Cl)cc2Cl)CC1 1286794154 YDNLHZJUZZVHFZ-MRXNPFEDSA-N 466.373 2.460 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 1286820657 OTTOWRXQHOKQMM-RBUKOAKNSA-N 481.663 2.499 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCO[C@@H](c3ccccc3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1286825760 XCNQIOLFAZAPSN-ZJSXRUAMSA-N 490.626 2.497 30 10 JEEE CC#CCS(=O)(=O)c1cccc(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c1 1291871722 YMNCROJJLNQXAT-HXUWFJFHSA-N 453.564 2.115 30 10 JEEE C=CCc1cc(CNC(=O)c2nc(C)n(-c3n[nH]c(C(F)(F)F)n3)n2)cc(OC)c1OC 1292304687 NJPDXKGWUWUILV-UHFFFAOYSA-N 451.409 2.388 30 10 JEEE COC(=O)N1CCC(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](NC(C)=O)C2)CC1 1299422318 FIJOYSQFZXANNA-OAQYLSRUSA-N 465.558 2.400 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2CCC(=O)NCCC)c1 1300333965 HADQOYMNHHXYMC-IBGZPJMESA-N 452.559 2.145 30 10 JEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cc(C)cs1 1300365228 RPPZADZMNSGECF-GOSISDBHSA-N 451.618 2.421 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCCN1CCCCCC1=O)[C@H]1CCS(=O)(=O)C1 1300482430 FUJIYKGBMYEWSH-NRFANRHFSA-N 499.637 2.373 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCNC(=O)c1ccccc1F)[C@H]1CCS(=O)(=O)C1 1300489968 WSRUYBVPEOFAHK-KRWDZBQOSA-N 485.541 2.042 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1ccc(N(CC)CC)nc1)[C@H]1CCS(=O)(=O)C1 1300495987 MEKIUCCIUFCOHI-LEWJYISDSA-N 486.642 2.436 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1-n1nc(C)cc1C 1300671773 OUYCSKZEPJFWBR-NRFANRHFSA-N 482.610 2.117 30 10 JEEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1300778255 QKRKRWGCWWSJOX-CEXWTWQISA-N 488.658 2.330 30 10 JEEE C=C(Br)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1300834658 UPLJMRSEYBDRBT-UHFFFAOYSA-N 477.754 2.489 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1301575642 JLTCHIWHGUPSCL-UHFFFAOYSA-N 483.550 2.180 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccc(C)cc2)CC1 1301588035 BOOPJSQIFFVAFW-FQEVSTJZSA-N 459.616 2.408 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CC)Cc1c(F)cccc1F 1301588553 HEGBLKPAJRCOST-OAHLLOKOSA-N 488.582 2.086 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC1(O)CCCCCC1 1303401992 CCFYAEISKDGWQK-UHFFFAOYSA-N 466.590 2.095 30 10 JEEE CC[C@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1305627186 GMVJJOZRLCQTEZ-KXBFYZLASA-N 464.530 2.391 30 10 JEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)c2ccc(O)cc2)CC1 1358904773 LREPWMJWUVDHMK-QGZVFWFLSA-N 473.599 2.497 30 10 JEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1358904842 MZMQPSMJIYTVBW-BZSNNMDCSA-N 482.651 2.431 30 10 JEEE C#CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)CC(=O)NC(C)(C)C 1358920673 FHMACRWWDQFYEJ-UHFFFAOYSA-N 459.620 2.311 30 10 JEEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCCO[C@@H]1CCOC1 1358946975 OHCGQAMLKUFXMB-GOSISDBHSA-N 450.543 2.330 30 10 JEEE C#CCN(c1nnc(C(C)C)n1Cc1ccc(-c2n[nH]c(C)n2)cc1)[C@H]1CCS(=O)(=O)C1 1358955838 UYPIRHBBAVQKJC-IBGZPJMESA-N 453.572 2.170 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@]2(C)COCCO2)CC1 1359042862 WZHONSLSCFBCOO-RUZDIDTESA-N 451.571 2.279 30 10 JEEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(CC)[C@H](C)C1 1359055100 SQMLONCZIBBDKU-QGZVFWFLSA-N 451.600 2.089 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2ccccc2C)C1 1359056890 NGOGDVDTHGFOKU-UYAOXDASSA-N 460.625 2.433 30 10 JEEE C=C(Cl)Cn1c(N2C[C@H](C(=O)NCCOC)CC[C@@H]2C)nnc1[C@@]1(OCC)CCOC1 1359156675 MVCCFGVKDJAGBW-CSODHUTKSA-N 455.987 2.050 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1359188710 SVADRFNNTDDGKQ-UXHICEINSA-N 481.663 2.405 30 10 JEEE C=CCCOCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@@H](C(N)=O)C1 1359226510 HCBBUABXFSRUAZ-GOSISDBHSA-N 462.595 2.297 30 10 JEEE C=CCCOCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN2CCOC[C@@H]2C1 1359229696 RIFHIUNUYBLVST-PMACEKPBSA-N 476.622 2.464 30 10 JEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCCC[C@H]1CNC(=O)c1ccccc1 1465597757 ATRFXDGLYHSAPP-PXNSSMCTSA-N 454.552 2.036 30 10 JEEE C[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1)N1CCC[C@@H](C)C1 1493694305 BDKZZWPSMIADPY-UXHICEINSA-N 465.602 2.232 30 10 JEEE CC[C@H](C)[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1494868700 BLHMVFHZSQOEOE-HCYUJWNOSA-N 466.586 2.441 30 10 JEEE CO[C@@]1(Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CC[C@@](F)(C#N)C2)CCOC1 1504046389 DWWPBQFVJFRLDO-NHCUHLMSSA-N 462.913 2.109 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC(=O)NCC(F)(F)F 1507535394 YELPSNVFIBEYSQ-AWEZNQCLSA-N 475.475 2.372 30 10 JEEE C#CCCCn1c(N2CCN3C(=O)OC[C@@]3(C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1507598095 ARXUJXITCCEGLJ-SAHWJRBASA-N 458.563 2.493 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1Cc1cnn(C)c1C)[C@@H]1CCS(=O)(=O)C1 1507626465 FWWCEPQNKHCSOG-GOSISDBHSA-N 489.001 2.324 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1Cc1cccc(N2CCCC2=O)c1)[C@@H]1CCS(=O)(=O)C1 1507635282 VQGDHTBOXPICFY-OAQYLSRUSA-N 469.611 2.278 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1NC(=O)CC1(C)C 1507650381 IXDDWTXUKYFBGC-MOPGFXCFSA-N 468.602 2.380 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1C[C@@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1507659310 QFMCDEAHLRHCEG-QHAWAJNXSA-N 496.612 2.001 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(Br)s2)n1CCNC(=O)c1cc[nH]n1 1507706567 NRCZPWGZGRCNNB-UHFFFAOYSA-N 478.376 2.008 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC[C@H](OC)C(F)(F)F)CC1 1507720203 SSIMMQCRPQUOTQ-PXNSSMCTSA-N 459.513 2.041 30 10 JEEE C#CCSCCn1c(CCc2ccc(OC)cc2)nnc1N1CCC(S(C)(=O)=O)CC1 1507755964 RSRMJKBRDNZDPM-UHFFFAOYSA-N 462.641 2.452 30 10 JEEE C=C(C)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1507832990 RLWRMWLMGGBXTN-SFHVURJKSA-N 457.604 2.201 30 10 JEEE C=C(C)COCCn1c(COc2ccc(Br)cc2)nnc1N1CCN(C)C(=O)C1 1507848660 QAHJJRHNDPMXSR-UHFFFAOYSA-N 464.364 2.491 30 10 JEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(OC)c(OC)c2OC)CC1 1507895623 BHERZVKZQMCKFR-HNNXBMFYSA-N 479.603 2.365 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCSC(F)(F)F)CC1 1507902823 ORXLSEPGTBJZGA-AWEZNQCLSA-N 469.555 2.266 30 10 JEEE C=CCN(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1507970008 ITLIILGRFFQXFL-DEOSSOPVSA-N 455.607 2.138 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(N(C)C)CCC1 1508002308 DNDBJJZYKPSLOT-OAQYLSRUSA-N 488.658 2.288 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H]2CCOC2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1508106104 UURXWEXJRINSFD-QUCCMNQESA-N 475.615 2.161 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC2(C(N)=O)CCOCC2)C1 1508108812 IVQBIQQVSUBLHQ-HXUWFJFHSA-N 482.585 2.211 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@H]2CCCN2C[C@H]1C 1508130443 IBOSTBXNZJGAFT-TZIWHRDSSA-N 486.642 2.421 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](Cc2ccc(F)cc2)C1 1508139498 BEQSIZZWAALEBX-HKUYNNGSSA-N 461.563 2.038 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCO[C@H](C)C1 1508141181 LPNNRCBYQYPXSL-MSOLQXFVSA-N 483.635 2.219 30 10 JEEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 1508155827 QYTPSHQWVPGKLV-UHFFFAOYSA-N 487.655 2.499 30 10 JEEE CNC(=O)c1cccc(Cn2c(N3CCN(c4nccnc4C#N)C[C@H]3C)nnc2C(C)(C)C)c1 1517496535 ABXITYJPLGPJBK-QGZVFWFLSA-N 473.585 2.360 30 10 JEEE CS(=O)(=O)N1CC[C@@H](Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCC(C#N)CC2)C1 1519528633 DYBHZCONPAMGPF-CQSZACIVSA-N 482.408 2.057 30 10 JEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(Cc3ccc4c(c3)OCCO4)CC2)c1 1539188499 RXTGEURARMJWQL-UHFFFAOYSA-N 454.548 2.213 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1cccc(NC(=O)OC)c1)[C@@H]1CCS(=O)(=O)C1 1539220836 MDRQUWTZEKWCPR-WOJBJXKFSA-N 487.582 2.373 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@]2(O)CCSC2)CC1 1539438133 PFUQNGDJESGDAY-FQEVSTJZSA-N 462.417 2.331 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1Cc1ccccc1CN1CCC(O)CC1 1539533854 WJHCYMNAIORHKX-AREMUKBSSA-N 464.614 2.413 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(CC(C)C)C(=O)C1 1539614820 CRCDHIHLNVAXBK-RXVVDRJESA-N 460.623 2.482 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1c(C)nn(C)c1C 1539915716 CVWSDLRLNSEARF-LJQANCHMSA-N 479.651 2.200 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(F)(F)F 1540129686 WYSFPZKAKQPELY-QGZVFWFLSA-N 484.504 2.238 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)nnc1[C@]1(OC(C)C)CCOC1 1540876150 IWYFLASHJCOAGY-KOSHJBKYSA-N 492.621 2.114 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)CC(F)(F)F)cc1 1540878035 MHHXVNWAXAVEHU-KRWDZBQOSA-N 489.520 2.223 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@H]2CCOC2)C1 1540893195 YNTHNVXESWHIDE-IPMKNSEASA-N 463.579 2.404 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N(C)C[C@@H]1CCCCO1 1540903814 HGZPHUXRAHXSAK-IBGZPJMESA-N 458.588 2.123 30 10 JEEE CC(C)[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](CC(N)=O)C1)N1CCOCC1 1541310338 FBYDNILNCZQDFT-GMAHTHKFSA-N 495.628 2.177 30 10 JEEE C#C[C@H](NC(=O)N1CCN([C@@H]2CCCN(c3cc(C)nn3C)C2=O)CC1)c1ccc(F)cc1 1564995663 DXISECDDXQTXRU-LEWJYISDSA-N 452.534 2.065 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCNC(=O)OC(C)(C)C 1588281073 XMIBIGBEQROEBO-UHFFFAOYSA-N 476.603 2.180 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccnc(C(F)(F)F)c2)CC1 1588733440 SNXUPIYJEDLAGD-UHFFFAOYSA-N 463.508 2.414 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCC(F)(F)C(F)F)CC1 1588768734 KCSUCVOMESJSRM-UHFFFAOYSA-N 450.440 2.489 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2cccc(OCC)n2)CC1 1588976427 XQURCKCEGMFNBK-UHFFFAOYSA-N 492.609 2.412 30 10 JEEE C=C(Br)Cn1c(Cc2ccsc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1589434515 JVZFGPLFTFHLSB-UHFFFAOYSA-N 460.423 2.311 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1589482775 LGVATVLSPWWRCG-IRXDYDNUSA-N 486.539 2.292 30 10 JEEE C=C(C)COCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(CCOC)[C@H](C)C1 1593722225 MHMMLOMCRPYEGB-LJQANCHMSA-N 457.575 2.466 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1NC(=O)CC1(C)C 1595076066 SAHMASPOQABDKN-MOPGFXCFSA-N 452.559 2.345 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC2(CC1)COC(=O)N2 1595477125 RFAUFQZDMGMAQH-SFHVURJKSA-N 468.558 2.416 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 1595506741 LECZIPVDSNKJCN-SFHVURJKSA-N 467.530 2.340 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1595699650 GHWYPQLNMMOLHB-XLIONFOSSA-N 461.588 2.017 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N(C)Cc1nccs1 1595804501 ALNRHRVRQAAKOQ-QGZVFWFLSA-N 461.569 2.484 30 10 JEEE Cc1ccc(NC(=O)c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CN(CC(C)C)CCO2)cc1C 1612108360 HGOLNKKHKLMHSU-FGZHOGPDSA-N 481.601 2.233 30 10 JEEE CCCC1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@](F)(C#N)C2)CCC1 1614425926 FBZYICXYEBREOO-JXFKEZNVSA-N 454.572 2.023 30 10 JEEE C#CCNS(=O)(=O)c1cccc(C(=O)NCCCc2cc3c(OC)cc(OC)cc3[nH]2)c1 1636123270 VKQFHILIWZEFMC-UHFFFAOYSA-N 455.536 2.459 30 10 JEEE C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@@H](c3cccc(C(F)(F)F)c3)OC(C)(C)C2)C1=O 1636701045 WNXBTRVXSJEZED-HNNXBMFYSA-N 453.417 2.361 30 10 JEEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC[C@H]3COC(=O)NC3CCCCC3)CC2)o1 1645529381 HXTIHSRJQRMWKQ-IBGZPJMESA-N 458.563 2.027 30 10 JEEE C#CCN(C(=O)C[C@](O)(c1nccn1C)C(F)(F)F)C1CCN(C(=O)OC(C)(C)C)CC1 1649035672 IIRYYAZJTRSUFB-FQEVSTJZSA-N 458.481 2.421 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CCCC3)n2CC2(O)CCS(=O)(=O)CC2)c1 1689873299 DCHLYUAWTFSEDU-UHFFFAOYSA-N 499.637 2.007 30 10 JEEE C#CCCCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1689895314 PEJBTIJVSRZMLW-UHFFFAOYSA-N 486.573 2.452 30 10 JEEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1CCCc1cnn(C)n1)[C@@H]1CCS(=O)(=O)C1 1689979521 CPLIOLKUNIKXEL-FGZHOGPDSA-N 481.626 2.208 30 10 JEEE C#CCN(c1nnc(Cc2c[nH]c3ccccc23)n1CCOCC(F)F)[C@@H]1CCS(=O)(=O)C1 1689994310 VZBKUYJSMFYNJS-QGZVFWFLSA-N 477.537 2.259 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCc1ccc(C)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1689997194 XOPJSRSDLPKBGX-QFIPXVFZSA-N 496.637 2.326 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCOCCC=C)CC1 1690146684 UFUFUXUCMMMESK-QFIPXVFZSA-N 465.554 2.349 30 10 JEEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1690163760 PWNANSYFKOFZNC-LJQANCHMSA-N 471.627 2.487 30 10 JEEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1690183119 MMUAQZXSHBJRJL-SFHVURJKSA-N 459.597 2.109 30 10 JEEE C=C(Br)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1690220807 BBELGRPFUYGDTH-GOEBONIOSA-N 485.404 2.497 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCC(CC(N)=O)CC2)nnc1C1(c2ccccc2)CCC1 1690731337 IPBJKLLHLIOSEW-UHFFFAOYSA-N 471.627 2.441 30 10 JEEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(C(C)(C)C)n1Cc1ncccc1N(C)C 1693746036 HVJTXSTWPJIMSL-QGZVFWFLSA-N 460.590 2.462 30 10 JEEE C#CCCCCn1c(N2CCN(c3ccc(C(N)=O)cc3)CC2)nnc1[C@@]1(OCC)CCOC1 1705521499 CYOLQCMUHMFKIR-RUZDIDTESA-N 466.586 2.159 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H](CC)Oc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1705558534 AJLWRSLJVJVFQP-OALUTQOASA-N 491.589 2.040 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCN(C)C1CCCC1)[C@@H]1CCS(=O)(=O)C1 1705563531 ZFGCQDGHPBGBQL-JOCHJYFZSA-N 466.611 2.318 30 10 JEEE C#CCN(c1nnc(COc2ccccc2OCC)n1CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1705568575 QMTFEPNCGGFWAB-HNNXBMFYSA-N 472.489 2.445 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@H]1CC=CCO1)[C@H]1CCS(=O)(=O)C1 1705569523 DPBAEPDEJALEIT-DLBZAZTESA-N 462.522 2.119 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc3cccnc23)n1CCN/C(O)=C1/N=CC=CC1=O 1705594155 RVCJHWKOWDZXEZ-BZZOAKBMSA-N 465.517 2.483 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2CCc2cccc(C(N)=O)c2)CC1 1705633935 CIWOOCCKUUHPHM-UHFFFAOYSA-N 496.413 2.143 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccnc3)n2Cc2ccc(OCCCN(C)C)cc2)CC1 1705637732 JXZSDBSCSKOBSD-UHFFFAOYSA-N 459.598 2.474 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)N2C[C@H](C)C[C@@H](C)C2)CC1 1705643933 VVHGVQHGWRCJEF-NHCUHLMSSA-N 497.688 2.236 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1705693171 CMCZYEYILHDHAR-FZOAFFARSA-N 474.650 2.479 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1705693772 KFQUZSJUWRMLFH-ZVDOUQERSA-N 467.574 2.211 30 10 JEEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)NC2CCCCC2)CC1 1705721163 NGKUJXFBRBKWHB-INIZCTEOSA-N 452.625 2.130 30 10 JEEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1Cc1cccs1 1705737273 NIHBEMZHWRDMGE-QUCCMNQESA-N 495.671 2.477 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CCCS(=O)(=O)C1 1705877790 DJTFKJQODNTIML-VQTJNVASSA-N 457.600 2.289 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1705897649 QUKDYSGJFOOGSB-HUUCEWRRSA-N 498.481 2.364 30 10 JEEE CN(CC1CCC1)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1711140245 DAEAYZUSANBWKM-IBGZPJMESA-N 458.588 2.247 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@@H](c1ccco1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1722359334 LPVGKNBGXKVKDY-CTNGQTDRSA-N 483.594 2.476 30 10 JEEE C#CCN(c1nnc(CC2CCCC2)n1CCNC(=O)c1cccs1)[C@@H]1CCS(=O)(=O)C1 1722371992 NQRGBJXIJMDOCN-GOSISDBHSA-N 475.640 2.129 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H](C)NC(=O)OC(C)(C)C 1722380688 VAHHPVXCDUNPEK-QGZVFWFLSA-N 475.553 2.178 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3OCC)n2Cc2cccnc2OC)CC1 1722441248 IZKUVYQOZCUBPL-UHFFFAOYSA-N 462.554 2.463 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2CCN2CCC[C@H]2C)CC1 1722445031 JGJWBSMZBMDVOO-LJQANCHMSA-N 450.587 2.404 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cc(C(CC)CC)no2)CC1 1722446909 BLPGMWFNADCRTQ-LJQANCHMSA-N 467.574 2.135 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](c2ccsc2)N(CC)CC)CC1 1722447888 OVYJESCSXXOSFC-LEWJYISDSA-N 497.669 2.340 30 10 JEEE C=C(Br)Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1722477678 JLUUBPBMTANPOY-SJORKVTESA-N 490.406 2.381 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1722536317 DGJMKJAGHVRPLZ-JOCHJYFZSA-N 489.642 2.417 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CCCN(C)C(=O)OC(C)(C)C)C1 1722721879 XMGGLABVLSRVMI-GOSISDBHSA-N 462.595 2.439 30 10 JEEE CC(C)(C)S(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ncc(F)cn2)CC1 1723017140 FVNPHOVEAKSQAQ-UHFFFAOYSA-N 498.588 2.286 30 10 JEEE CC(C)[C@H](Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@@H](C)CC#N)N1CCOCC1 1723119376 GSUHXKUGJALFAI-RXVVDRJESA-N 478.601 2.287 30 10 JEEE CCCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@](C)(C#N)C2)cn1 1728217296 BJWSTZMMMBMTIO-IERDGZPVSA-N 461.592 2.250 30 10 JEEE CCOC1CC(Cn2c(Cc3ccncc3)nnc2N(C)C[C@@H](C)C#N)(N2CCOCC2)C1 1728917468 AMSSOHBYTLSLJO-RNQSCQIESA-N 453.591 2.130 30 10 JEEE CN(C)C(=O)[C@H]1CCCN1CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCSCC1 1729297543 AZIWHIQVXCAKQW-OAQYLSRUSA-N 483.642 2.225 30 10 JEEE C[S@](=O)C1(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CC[C@@](F)(C#N)C2)CCC1 1731019856 CVOIGJPIQOTBCA-QTEAWJPNSA-N 465.576 2.092 30 10 JEEE C#CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1740571800 VQTXPUACQZHZQT-IBGZPJMESA-N 471.631 2.394 30 10 JEEE C#CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(CNS(C)(=O)=O)CC1 1740586592 GSMHHLOUSXUDJO-UHFFFAOYSA-N 461.588 2.141 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@](C)(O)c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1740623063 NKSFCKJKHWNVAY-JTAQYXEDSA-N 476.574 2.193 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ccccc1C(C)C 1740671614 KXAPNUSQTNPUNU-OAQYLSRUSA-N 475.615 2.273 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1CCOC(C)(C)C 1740677956 VWSVCGQKUZXQFF-INIZCTEOSA-N 451.568 2.482 30 10 JEEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1740719946 VSQNRUUEYQCTQH-NRFANRHFSA-N 482.610 2.011 30 10 JEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1740963709 UPMUNKTZSRQMOW-OALUTQOASA-N 486.621 2.181 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@H]1C(C)C 1740988227 XTDZJTWVOQBJAL-HXUWFJFHSA-N 495.671 2.421 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](OC)C1 1740991285 RYXAGBDBEISIDV-MSOLQXFVSA-N 483.635 2.219 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1cc(F)ccc1N1CCOCC1 1748641355 FUNAMVCJZMMVST-UUOWRZLLSA-N 457.550 2.412 30 10 JEEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN([C@H](C)c2nc(CC)no2)CC1 1748730525 NCZKDSNDRNTQAL-QGZVFWFLSA-N 463.546 2.167 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1748802065 KOWUDQWDGHAECN-RTWAWAEBSA-N 485.610 2.343 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(Br)cn2C)n1CCCN1CCOCC1 1748868729 GIKORRBWMZNYCI-UHFFFAOYSA-N 459.392 2.231 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCO[C@@H](C)C1 1748965666 UQRBNYCWRWFUGQ-ZCNNSNEGSA-N 477.606 2.488 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H](N2CCOCC2)C(F)(F)F)CC1 1748983047 HKLVEYQNLDOJOB-KRWDZBQOSA-N 483.926 2.012 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@]2(O)CCC[C@@H]2C)CC1 1749003762 UZTXJDGONVTQKJ-QYBDOPJKSA-N 481.597 2.479 30 10 JEEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1CN(C(=O)OC(C)(C)C)C1)C1CC1 1749519201 GHJNWEZJAZYPCZ-MRXNPFEDSA-N 451.593 2.202 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1749655710 PXPAAXVBPANANP-UHFFFAOYSA-N 478.553 2.428 30 10 JEEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(C(C)C)CC1 1749667110 TVRVEPGTNVHQIX-UHFFFAOYSA-N 459.620 2.413 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(c2ccc(C(C)=O)cc2F)CC1 1749676017 BBINJVWHGIGNOV-UHFFFAOYSA-N 477.544 2.234 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(c2ncccc2C#N)CC1 1749736004 XVCMMHIWGLPINA-UHFFFAOYSA-N 457.604 2.061 30 10 JEEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(-c2ccccn2)n1CC[S@@](=O)C(C)(C)C 1752280559 FQGFKLABDFOPDI-TXULOHPCSA-N 479.614 2.264 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H](C1CCCCC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1760190190 UDNWISSSFVCGSF-FCHUYYIVSA-N 470.643 2.477 30 10 JEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CSCCS1 1760201030 ZKDYBQHSHGGPCK-MRXNPFEDSA-N 460.654 2.160 30 10 JEEE C=C(Br)Cn1c(-c2noc3c2COCC3)nnc1N1CCN(CCOC)[C@@H](CC)C1 1760307489 RDXXDLBTZKFWJX-HNNXBMFYSA-N 481.395 2.461 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(S(=O)(=O)CC)CC1 1760327143 CKZJLZILZCYWNE-JYRKZWEQSA-N 482.647 2.387 30 10 JEEE CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOC(C)C)CC1 1762054247 DYHNJHFPNJUTEY-LJQANCHMSA-N 453.591 2.278 30 10 JEEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H](c2ccc(F)cc2)N(C)C)CCOC1 1765921359 DHIUSSWGOFSZGO-SXWKCWPCSA-N 458.538 2.101 30 10 JEEE CN(C)CCOc1ccc(CCn2c([C@H]3CCC(=O)N3)nnc2N2CCC(C#N)CC2)cc1 1766927893 HJHHNRKXIRSVEP-OAQYLSRUSA-N 451.575 2.152 30 10 JEEE COC(=O)N1CCC(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCO[C@@H](C#N)C2)CC1 1769462483 COCALVIAXGUDNA-HNNXBMFYSA-N 478.351 2.243 30 10 JEEE COCC[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1770976382 AARVYWZNICVHHF-PXDATVDWSA-N 468.602 2.153 30 10 JEEE C=CCn1c(C(=O)NCc2cccnc2)cc2c(N3CCN(c4ncccn4)CC3)ncnc21 1873593815 IMEHJJIHQUUHGZ-UHFFFAOYSA-N 455.526 2.059 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)CSc2nnc(Cc3ccc(OC)cc3)n2N)nc1C 1874546913 DDKROKKZWBTCDG-UHFFFAOYSA-N 474.568 2.430 30 10 JEEE CCN1CCN(CC#CCOC2CCN(S(=O)(=O)c3cccc(OC(F)(F)F)c3)CC2)CC1 1889807449 PLJOEOLSJAWDOX-UHFFFAOYSA-N 489.560 2.396 30 10 JEEE Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCC(COc4nccnc4C#N)CC3)C2)cc1 1892003248 AZEKATPZYOCUGB-HXUWFJFHSA-N 483.594 2.375 30 10 JEEE N#Cc1cccnc1N1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccc(Cl)c2)CC1 1892213308 BMFKGMFFULFSNP-LJQANCHMSA-N 459.959 2.109 30 10 JEEE CON(CCNC(=O)OC(C)(C)C)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2255738909 ARHSCYQEYFTZEF-UHFFFAOYSA-N 476.426 2.433 30 10 JEEE CON(CCNS(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2255950624 QTKJJRFRZBSMCX-UHFFFAOYSA-N 456.370 2.063 30 10 JEEE CN(C[C@H](O)CNC(=O)OC(C)(C)C)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2266973672 IPFKXIDLDJTOQP-OAHLLOKOSA-N 452.332 2.083 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)CCO1 2267147028 NXKLMNFBKBTFSM-ZIAGYGMSSA-N 467.397 2.244 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CC1(F)F 2267147498 RZZAWHLYLWVSEX-ZDUSSCGKSA-N 456.299 2.083 30 10 JEEE CC1(C)OB(c2ccccc2CS(=O)(=O)N(OCc2ccccc2)C2CNC2)OC1(C)C 2267468348 VGELWKNEXOKWNE-UHFFFAOYSA-N 458.389 2.221 30 10 JEEE CC1(C)OB(c2scnc2C(=O)N2C[C@H]3[C@@H](C2)OCCN3Cc2ccccc2)OC1(C)C 2267480825 GMESKAPVCWUUBN-ZWKOTPCHSA-N 455.389 2.168 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CC1(F)F 2267523719 GISYIYXRFUIXRW-ZDUSSCGKSA-N 456.299 2.083 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C[C@@H]1O 2267525541 GASHVZQQDBGMRI-IMJJTQAJSA-N 466.409 2.441 30 10 JEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](CNC(=O)[C@@H]2C[C@H]2B2OC(C)(C)C(C)(C)O2)[C@H]1OC 2267563027 KBBOAHXUADLZTA-WRQOLXDDSA-N 454.373 2.234 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1[C@H]2C[C@@H](CN(C(=O)[C@@H]3C[C@@H]3B3OC(C)(C)C(C)(C)O3)C2)[C@@H]1CO 2267563694 PNSBXJIUVZODAZ-MCEUPANISA-N 450.385 2.449 30 10 JEEE C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2sc(B3OC(C)(C)C(C)(C)O3)cc2C1 2268640575 HZIAFFGGQVXTKB-SUMWQHHRSA-N 466.409 2.206 30 10 JEEE C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1F 2268644661 MFTKQPQNXMETTE-MEDUHNTESA-N 456.295 2.477 30 10 JEEE CC(C)(C)OC(=O)N1CCC(O)(C(=O)NCc2cc(B3OC(C)(C)C(C)(C)O3)cs2)CC1 2268706029 LHPUAWWGLBDAEV-UHFFFAOYSA-N 466.409 2.426 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(F)cc2B2OC(C)(C)C(C)(C)O2)C[C@H](O)C1 2281756932 BFWMIZHUMDCNHH-INIZCTEOSA-N 464.343 2.179 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)C(C)(C)[C@@H]21 2281981893 JYSYVKAEZPYWCZ-XOKHGSTOSA-N 460.384 2.473 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(C2CC2)C2CN(C(=O)OC(C)(C)C)C2)n1 2282000787 SBFAZKYJYCSOJQ-UHFFFAOYSA-N 460.384 2.426 30 10 JEEE CCn1cc(C(=O)N[C@@H]2CSCCN(C(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2282038532 JSBFVBZXQMMUKY-HNNXBMFYSA-N 480.440 2.285 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N=[S@]1(=O)CC[C@@H](CNC(=O)OC(C)(C)C)C1 2282192085 SIDKBFORVNURFU-YHOYWCJOSA-N 481.424 2.477 30 10 JEEE CCN([C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282349482 ZHXHZWOQGBQWGC-IBGZPJMESA-N 474.436 2.004 30 10 JEEE COC(=O)[C@]1(NC(=O)OC(C)(C)C)C[C@H](NC(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2282514381 BYYMIQQZSCWVKW-MRAWUWRDSA-N 480.392 2.376 30 10 JEEE Cc1nc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H]3COC[C@H]32)c(B2OC(C)(C)C(C)(C)O2)s1 2282520552 RFSXOVQCLXKWJS-HUUCEWRRSA-N 479.408 2.211 30 10 JEEE Cc1c(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC2(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282553997 XAIKKTJCBGOGAJ-OAHLLOKOSA-N 462.400 2.403 30 10 JEEE Cn1cc(C(=O)N=[S@](C)(=O)CCCCNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2282588079 CYFHNPCMFIKLEN-MGBGTMOVSA-N 484.428 2.262 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2SC)n1 2282601205 ZZVUTPBLOFWQMT-HOTGVXAUSA-N 480.440 2.283 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@@H]1C[C@H](OCc2ccccc2)C1(C)C 2282847626 BKPJYFBXMMRFMH-MOPGFXCFSA-N 475.420 2.382 30 10 JEEE C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN(C(=O)OC(C)(C)C)C1)c1nscc1B1OC(C)(C)C(C)(C)O1 2283945019 VOYHVUJOEWEEMO-RRFJBIMHSA-N 481.424 2.237 30 10 JEEE CC(C)(C)OC(=O)NC12COC(C(=O)NCc3ccccc3B3OC(C)(C)C(C)(C)O3)(C1)C2 2284067555 NZKWHQFVHMKWPT-UHFFFAOYSA-N 458.364 2.428 30 10 JEEE C[C@H](NC(=O)[C@@H]1[C@@H]2OCCN(C(=O)OC(C)(C)C)[C@@H]21)c1nscc1B1OC(C)(C)C(C)(C)O1 2284068888 JPPCGZKAVATLCS-SDNTUTLCSA-N 479.408 2.254 30 10 JEEE Cc1ccnc(C(=O)N[C@@H](C(=O)O)[C@H](C)OCc2ccccc2)c1B1OC(C)(C)C(C)(C)O1 2284430801 ZVNLHEKOUAWXAR-QFBILLFUSA-N 454.332 2.478 30 10 JEEE COC(=O)c1[nH]c(C)c(C(O)=C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccco2)c1C 2296936241 JEVWJBCBEYAHDT-HXUWFJFHSA-N 471.510 2.155 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C=NNc2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)n2)CC1 2297660657 HNJKBCUKXQUSPJ-UHFFFAOYSA-N 490.609 2.442 30 10 JEEE COC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1N=Cc1cccc(OC)c1OC 2329035051 GZZQLCYUFCSIJL-HNNXBMFYSA-N 461.544 2.167 30 10 JEEE C[C@H](NC(=O)CCN(CCO)C(=O)OC(C)(C)C)c1nscc1B1OC(C)(C)C(C)(C)O1 2342700351 IHKCBXXAGFUKRG-AWEZNQCLSA-N 469.413 2.239 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(N2CCN(C3CN(C(=O)OC(C)(C)C)C3)CC2)n1 2362157038 OZKSWGAHTMZRHE-UHFFFAOYSA-N 458.412 2.431 30 10 JEEE COc1[nH]c(=Nc2cnc(CNC(=O)OC(C)(C)C)nc2)ccc1B1OC(C)(C)C(C)(C)O1 2365351501 ZCGCMSILIUUBOA-UHFFFAOYSA-N 457.340 2.370 30 10 JEEE CCOCCCn1c(=O)/c(=C\c2ccc(C(=O)OC)cc2)s/c1=C(/C#N)C(=O)C(C)(C)C 6233747 YXZMOZWYAYAWFJ-DWKLJOBNSA-N 456.564 2.241 30 10 JEEE COc1cc(/C=N/Nc2nnc(SCC(=O)Nc3ccc(F)cc3F)n2N)cc(OC)c1OC 20827145 WFBOXTYZNJWMJM-PGGKNCGUSA-N 493.496 2.473 30 10 JEEE COc1ccc(CCNC(=O)CSc2n[nH]c(N/N=C/c3ccccc3O)n2)cc1OC 58997050 ISGWEMQUXXWMGL-FSJBWODESA-N 456.528 2.425 30 10 JEEE CC(C)CC(=O)N[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)c1ccccc1 110586047 JMMNOEFMUYPNLE-HSZRJFAPSA-N 468.579 2.295 30 10 JEEE CN(Cc1cc(B2OC(C)(C)C(C)(C)O2)cs1)S(=O)(=O)CCN1C(=O)c2ccccc2C1=O 704372572 JMFCSRSXXWZCRJ-UHFFFAOYSA-N 490.412 2.105 30 10 JEEE CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(-c3ccc(F)cc3)c2)c(=O)n1Cc1ccccc1 728557715 QAWCWZTUMFZDFQ-UHFFFAOYSA-N 487.560 2.312 30 10 JEEE C#CCN(C(=O)c1cccc(S(=O)(=O)N2c3ccccc3C[C@@H]2C)c1)[C@@H]1CCS(=O)(=O)C1 729331430 OVZPMJZLTCTMEV-FXAWDEMLSA-N 472.588 2.089 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)N3CCO[C@@H](c4ccc(F)cc4)C3)cc2C1=O 918812023 AEWMWIKNNSGATO-HXUWFJFHSA-N 452.438 2.365 30 10 JEEE COc1cc(C=NNc2nnc(SCC(=O)Nc3cccc(C#N)c3)n2N)cc(OC)c1OC 1084344503 WUJDVQSKVFNTRP-UHFFFAOYSA-N 482.526 2.066 30 10 JEEE C=CCOC[C@H](NC(=O)C1(NS(=O)(=O)c2ccc(Cl)cc2)CCCCC1)C(=O)OC 1155778993 CSLKTAUZVKXXII-KRWDZBQOSA-N 458.964 2.182 30 10 JEEE C#CCCCn1c(COc2ccccc2OCC)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1286357886 PSCLBAWAYBIVHU-UHFFFAOYSA-N 482.585 2.243 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC1(N(C)C)CCOCC1 1286405055 XOOUIKZTOACHFE-UHFFFAOYSA-N 467.570 2.155 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(COC)cc2)CC1 1286487328 UTMIQKCGPQKYCN-UHFFFAOYSA-N 487.564 2.086 30 10 JEEE C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)OC2(CCOCC2)C1)c1ccccc1 1286614961 FKQUQJNTBFAYMU-OALUTQOASA-N 475.615 2.376 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCc2cccnc21 1286758134 FCPBAGPLUFIEAG-WOJBJXKFSA-N 472.615 2.305 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc3cccnc23)nnc1N1CCC(C(=O)OC)CC1 1286816236 GRAMLKVXUXQTFR-UHFFFAOYSA-N 469.567 2.484 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCN(CC(F)(F)C(F)F)CC2)nnc1C(C)(C)C 1286825767 XGSPUQASICOXLB-UHFFFAOYSA-N 455.522 2.199 30 10 JEEE C=CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C(=O)NC)CC1 1286832324 RUWILNFXGIKKEH-SFHVURJKSA-N 494.662 2.468 30 10 JEEE CCC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(C(N)=O)CCOCC2)CCO1 1294095366 BLDFIHAXLJVMSB-HXUWFJFHSA-N 468.558 2.016 30 10 JEEE CCN(c1nnc(-c2cccc(C#N)c2)n1CC1([S@](C)=O)CCC1)[C@@H]1CCS(=O)(=O)C1 1295173571 DQXBXKGMXSZNKU-JJCDCTGGSA-N 461.613 2.131 30 10 JEEE C#C[C@H](C)N(C)c1nnc(COc2ccc(F)cc2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1300325005 QNROVUHXWCVNCG-RXVVDRJESA-N 456.566 2.397 30 10 JEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@H](C)c1cccc(N2CCOC2=O)c1 1300381419 RBOHBJVSJDOYHO-IAGOWNOFSA-N 474.587 2.456 30 10 JEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1300392072 YJQVESZQWRXSDZ-UHFFFAOYSA-N 484.626 2.490 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1C[C@@H](C(C)C)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1300489172 JVVQLGSGCZYWFA-RPWUZVMVSA-N 499.681 2.491 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cc(Br)cn2C)nnc1N1CCN(C)C(=O)C1 1300868884 IBXBPYUPNNSGAG-RDTXWAMCSA-N 463.380 2.306 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CCCC(=O)NC 1300870760 WAJUCCNRIDAHSN-NQIIRXRSSA-N 475.615 2.292 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](NC(=O)CCC)C1 1300885643 RJVOWYUZVKDARC-BNDYYXHWSA-N 479.647 2.047 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1300890251 GFOQWFSYCLHAIE-HLIPFELVSA-N 493.655 2.264 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)N(C)c1ccccc1)C1CC1 1301326593 CVBHYHDLGYREMY-RXVVDRJESA-N 474.631 2.291 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ncccc1C 1301773465 BFXYZTSKTISZHF-OAQYLSRUSA-N 480.594 2.457 30 10 JEEE Cc1cc(C)cc(OCc2nnc(N3CCC[C@@](C)(C#N)C3)n2CC(=O)N2CCOCC2)c1 1304176152 HTHNMKQSAFRWHA-DEOSSOPVSA-N 452.559 2.463 30 10 JEEE CC[C@H](c1ccccc1)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCS(C)(=O)=O 1305673922 GYWQIOGRUPHACK-AZUAARDMSA-N 494.625 2.241 30 10 JEEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@H]1CCCCN1CC 1314393318 FDEQXBAKFNPAOR-RBUKOAKNSA-N 453.595 2.066 30 10 JEEE COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1nc2c(s1)CCCC2 1316101358 HMTLWLDQNGFUNA-MRXNPFEDSA-N 478.644 2.125 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@H](C)N2CCN(CC)CC2)CC1 1359032716 ACBBHUBCXZGMRT-QFIPXVFZSA-N 495.672 2.134 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@H]2CCS(=O)(=O)C2)CC1 1359039151 YHHXHMZILGSIGZ-MRXNPFEDSA-N 498.436 2.354 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2cccc(COC)c2)CC1 1359041715 FVHGXAVZYSOHER-SANMLTNESA-N 481.597 2.091 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1359095693 QSOSWHIVRKXOSU-GHTZIAJQSA-N 491.614 2.025 30 10 JEEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(F)cc1F 1359150815 HDRXFSJREFQQKZ-MRXNPFEDSA-N 461.922 2.278 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)c2ccsc2)CC1 1359329158 ADDYUDLHIVFBEW-UHFFFAOYSA-N 496.618 2.441 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCN(C2CCCCC2)CC1 1359334192 WOLPEHYASSAQQU-UHFFFAOYSA-N 458.632 2.319 30 10 JEEE C#CCN1CCC[C@H](NC(=O)[C@H](CCS(C)(=O)=O)Cc2cccc(Br)c2)C1 1471832877 KZGDOFWLCNNWTE-MJGOQNOKSA-N 455.418 2.256 30 10 JEEE Cc1ncc(CN2CCN(c3nnc(COc4ccc(C#N)cc4)n3CCC(=O)N(C)C)CC2)s1 1492703094 CIASZMQPWQDKPL-UHFFFAOYSA-N 494.625 2.294 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCC(=O)NCc1ccccc1 1496839710 AITPJZATUACMNN-QHCPKHFHSA-N 455.538 2.345 30 10 JEEE CCOC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCCC2)CC1 1502507127 FGZWPJXJORAYBM-UHFFFAOYSA-N 467.574 2.493 30 10 JEEE COC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1503912662 BEAYONGWIUNPCW-UHFFFAOYSA-N 455.538 2.163 30 10 JEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)CCC2CCCC2)CC1 1507588325 JKVRTUDCEVFWGU-HXUWFJFHSA-N 461.632 2.213 30 10 JEEE C#CCCCn1c(COc2ccccc2F)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1507595935 ZDWJFWXJBZEBBL-UGKGYDQZSA-N 468.577 2.398 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CC[C@H](F)C1)[C@@H]1CCS(=O)(=O)C1 1507641086 YXZIOFOGIDYPAD-HSALFYBXSA-N 471.558 2.494 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1Cc1cnn(CCOC)c1 1507643090 GVHNJMRGWRFXTK-UHFFFAOYSA-N 456.348 2.010 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CC12CCOCC2 1507644633 KEQINSRMZGOCRA-HXUWFJFHSA-N 467.595 2.085 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCc2noc(CC)n2)CC1 1507733438 YVMASCGLUXEKJY-SFHVURJKSA-N 484.605 2.293 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(COC)cc1 1507821166 VPFIIQBBKZHVMC-HXUWFJFHSA-N 463.604 2.208 30 10 JEEE C=C(C)Cn1c(CSc2ccccc2OC)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1507835305 UQMWXXIETBIBJJ-UHFFFAOYSA-N 472.615 2.328 30 10 JEEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1507839494 SGPJZPHLCDTUJF-IBGZPJMESA-N 475.615 2.246 30 10 JEEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1507914082 HYDAQLAMTWSELC-SFHVURJKSA-N 492.694 2.163 30 10 JEEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1507936136 YLNGGNSEESDNKX-MRXNPFEDSA-N 477.553 2.431 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CCCN(C(=O)C2CC2)CC1 1508142969 HVMCTRDGHVIPFA-UHFFFAOYSA-N 471.627 2.113 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(CCc2ccccc2)CC1 1508143430 YQHARQZRRKLHMW-QFIPXVFZSA-N 473.643 2.485 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC2(CC1)COC(=O)N2 1508144791 HADMKOHJVZEFRL-UHFFFAOYSA-N 479.990 2.202 30 10 JEEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1508147953 OBRMULYBNOGKSQ-UHFFFAOYSA-N 456.620 2.167 30 10 JEEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1508148305 RFNLSJSUAFPHKS-UHFFFAOYSA-N 458.588 2.004 30 10 JEEE C=CCSCCn1c(N2CCN3C(=O)OC[C@@]3(C)C2)nnc1[C@]1(OC(C)C)CCOC1 1508167380 IIVJMRVUPJDUTO-RTWAWAEBSA-N 451.593 2.269 30 10 JEEE Cc1ccccc1OCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1511345640 FJLFEXXCKHZVHV-UHFFFAOYSA-N 474.569 2.397 30 10 JEEE CCS(=O)(=O)CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCO[C@H](C#N)C1 1516815062 BFCHMVLOGYZNRR-OAHLLOKOSA-N 455.993 2.387 30 10 JEEE COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@]2(N(C)C)CCSC2)cc1OC 1518165652 DVHYZMAKXKKCLJ-VGSWGCGISA-N 458.588 2.128 30 10 JEEE C#CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C)C(=O)[C@H]1C 1539071067 KXEURUVIPZJVSD-QZTJIDSGSA-N 460.579 2.057 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1539231846 XQFWAXGQMXSJJB-HVTWWXFQSA-N 450.605 2.065 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H](C)CNC(=O)OC(C)(C)C 1539257261 HLCQBMQSCMKJTH-SFHVURJKSA-N 489.580 2.426 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCc2noc(CC)n2)CC1 1539473987 GIYWIUINGFHUNP-UHFFFAOYSA-N 493.568 2.116 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CCOc2ncccc2Cl)CC1 1539484085 BPNMTHKNRIUJHK-UHFFFAOYSA-N 479.972 2.357 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2Cc2nccs2)CC1 1539489914 ZXPRVZNEAGIMMS-UHFFFAOYSA-N 454.531 2.467 30 10 JEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(O)(c2c(F)cccc2F)CC1 1539512268 BDWZRNWNAZVUNJ-KRWDZBQOSA-N 461.538 2.362 30 10 JEEE C=C(C)COCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@@H](C)[C@@H](O)C1 1539730687 RUFOIXDRGYHWHA-AEFFLSMTSA-N 462.620 2.346 30 10 JEEE C=CC1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CCCNS(C)(=O)=O)CC1 1539884777 ORFLPDDDQVOZMV-UHFFFAOYSA-N 485.614 2.017 30 10 JEEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 1539963568 YASNKTQWZGMGSI-CBNMVNINSA-N 471.650 2.402 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1540897221 DKHPXWZQJRZBBZ-IEBWSBKVSA-N 491.589 2.359 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)CC1CC1 1540901835 QSNAYJCSEWIHQS-UHFFFAOYSA-N 456.572 2.122 30 10 JEEE COCCn1c(COc2cc(C)ccc2C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1555566714 CXJJCLLOPVFBCS-IBGZPJMESA-N 462.558 2.497 30 10 JEEE N#Cc1ccc(OCc2nnc(N3CCN(CC(F)(F)F)CC3)n2CC2(O)CCC2)cc1 1555990456 DHCUMARJZYVMDN-UHFFFAOYSA-N 450.465 2.328 30 10 JEEE C#CCCN1CCC(NC(=O)CNC(=O)[C@@H]2c3ccccc3C(=O)N2Cc2ccccc2)CC1 1565988969 SZNVWLXDOINUEK-VWLOTQADSA-N 458.562 2.104 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2ccc(S(=O)(=O)N(C)C)c(C)c2)ccc1F 1585277307 IBEOMNBCVVYBNT-UHFFFAOYSA-N 455.533 2.101 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1csc(COC)n1 1587581199 XODPALSGHXKVNQ-OAHLLOKOSA-N 474.612 2.305 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1CCNC(=O)c1ccc(C)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1588030036 OITSJPQNBXPRHB-VQIMIIECSA-N 475.590 2.296 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCCC(=O)N(C)C 1588123972 ADOKPCROIBQKKD-UHFFFAOYSA-N 459.554 2.177 30 10 JEEE C#CCN(CC#CC)c1nnc(CSc2ccccc2OC)n1Cc1cn(C2COC2)nn1 1588253808 FLNBOIDPJKBQRR-UHFFFAOYSA-N 463.567 2.253 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCNC(=O)c1ccco1 1588398816 JITWZGRJCHGBMZ-KRWDZBQOSA-N 472.546 2.069 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccccn2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1588620255 QOHVXTDWNJPCLW-GOSISDBHSA-N 452.481 2.079 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](C)Oc2cccc(C)c2)CC1 1588924316 ZMRIKEHUMICGRC-LJQANCHMSA-N 461.570 2.420 30 10 JEEE C#CCSCCn1c(COc2ccccc2OC)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1589116401 HNABATLAUPHZDH-DEOSSOPVSA-N 498.609 2.047 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(O)(c2ccccc2)CC1 1589494632 NKCWZQTZERHFEG-DYXWJJEUSA-N 489.642 2.358 30 10 JEEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1593666515 DBDZQKACWXROPB-UHFFFAOYSA-N 485.658 2.370 30 10 JEEE C=C(C)COCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1593752430 ISLAVEYFFJTMQU-OAQYLSRUSA-N 457.550 2.428 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCC(F)(F)F)CC1 1594241206 JDONWYOMPMJHPG-OAHLLOKOSA-N 451.515 2.356 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](NC(=O)CCC)C1 1594497192 BWMVEDDSSPCFLQ-RBUKOAKNSA-N 496.678 2.098 30 10 JEEE C=CCN(C)c1nnc(CNC(=O)c2cccs2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1594992482 JFSUOTBGKWHFCT-UHFFFAOYSA-N 471.587 2.147 30 10 JEEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1595399040 QOVMENYLXYLVQH-GOSISDBHSA-N 487.605 2.345 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCCN(c2nc(CC)ns2)CC1 1595555558 CHFAOSNOMVJJFV-UHFFFAOYSA-N 496.641 2.310 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 1595556370 SQRVWQWYWDZRQE-UHFFFAOYSA-N 497.962 2.321 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N(C)Cc1ccc([S@](C)=O)cc1 1595562417 YEAXNBXIDWAPHH-UMSFTDKQSA-N 477.594 2.193 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3F)n2CCS(=O)(=O)N2CCSCC2)C1 1595705768 DXLRXTFJVRUUFJ-KRWDZBQOSA-N 481.619 2.244 30 10 JEEE COCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1619562521 CCSWLVYQZRRCAV-LPHOPBHVSA-N 476.603 2.010 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC23CC3)s1 1640629264 IICUONVKJRFWKA-OAHLLOKOSA-N 455.602 2.271 30 10 JEEE CC#CCS(=O)(=O)c1cccc(C(=O)N(C)Cc2nnc3n2C[C@@H](C(F)(F)F)CC3)c1 1644737694 PTSMEZDWNVYARN-HNNXBMFYSA-N 454.474 2.472 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1ccc(OC)nc1 1649538300 BKIVYMKNZLRYRP-OAHLLOKOSA-N 453.572 2.456 30 10 JEEE C=CCN(C(=O)Nc1ccc(-n2ccc(C(=O)OCC)n2)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1672334601 UGBQGISXDSUWSY-OAHLLOKOSA-N 450.492 2.395 30 10 JEEE C#C[C@@H](NC(=O)N1CCC(c2nnc3n2CCN(C(=O)OC(C)(C)C)C3)CC1)[C@@H]1CCCO1 1680314271 MFAGPOSFTFYSNH-MSOLQXFVSA-N 458.563 2.099 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2CC2(C(N)=O)CCCC2)c1 1689872372 WTAUPJKSWDDNQK-LJQANCHMSA-N 464.570 2.274 30 10 JEEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC1(S(C)(=O)=O)CCC1 1689960992 GXDZDMSWXYPHFP-UHFFFAOYSA-N 468.583 2.102 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CC[C@H](OC)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1689984046 KDMQLJPLGBDJLD-ZBFHGGJFSA-N 460.478 2.441 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1ccc(OC)c(F)c1)[C@H]1CCS(=O)(=O)C1 1689993661 JDJAVBZPZRXVAG-IBGZPJMESA-N 469.542 2.087 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1c(CC)nn(C)c1CC 1690006494 QQMLWGWNFZORFP-UHFFFAOYSA-N 464.595 2.328 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1CCS(=O)(=O)CC1 1690017736 KQYXHNBURCOVLI-HXUWFJFHSA-N 489.642 2.290 30 10 JEEE C#CCN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1CCCCS1(=O)=O 1690058296 SPWFLSUSVPHJMW-SFHVURJKSA-N 463.991 2.288 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCCN(C(C)C)C1 1690101020 LBTPPRXDPUBZTQ-HXUWFJFHSA-N 477.613 2.398 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H]2CCO[C@@H](C)C2)CC1 1690110559 QRUPAVVYHWJETL-ICSRJNTNSA-N 471.005 2.432 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H](CC)N2CCCC2)CC1 1690152372 IUMAGKWYHLDJIB-FQEVSTJZSA-N 497.669 2.110 30 10 JEEE C#CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@@H](C)[C@H](OC)C1 1690170049 XOPQWOIVXKPEPG-SJLPKXTDSA-N 462.645 2.466 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(C=C)cc1 1690206492 SLFSNKIBEDNUHT-XUZZJYLKSA-N 469.611 2.489 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2OC)n1CCN/C(O)=C1\N=CC=CC1=O 1690214592 PDBAEMMFAHPFJT-RMPPEFSYSA-N 476.537 2.384 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2cccc(C)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1690253478 RAYQRWDZKJZMDL-SSPYTLHUSA-N 469.586 2.488 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OCC)cc1 1690265972 WVBWHLCBLHQSIX-HXUWFJFHSA-N 463.604 2.460 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCN(C(C)=O)C[C@H]1C 1690663999 JMSHWQXXJDAJIM-GOSISDBHSA-N 478.553 2.476 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccnc(C(F)(F)F)c2)C1 1690685635 AWVPWVMHYXAGJI-DZGCQCFKSA-N 474.509 2.132 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC(N(C)c2ccccc2)CC1 1690722442 JNBOTMFCAWAICG-UHFFFAOYSA-N 469.615 2.385 30 10 JEEE CCN1C[C@@H](C)N(c2nnc(-c3cccc(C#N)c3)n2CC2(C(N)=O)CCOCC2)C[C@@H]1C 1695802586 BLOSSBRAMUXWGR-ZWKOTPCHSA-N 451.575 2.018 30 10 JEEE CN(C)c1cccnc1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](CC(N)=O)C1 1696611549 DHJVCVLMLOMVOZ-LJQANCHMSA-N 474.569 2.330 30 10 JEEE C#CCN(c1nnc(C(C)C)n1Cc1cc(C)nc(N2CCCC2)c1)[C@@H]1CCS(=O)(=O)C1 1705559606 DDLPQUHLVXWQMR-HXUWFJFHSA-N 456.616 2.380 30 10 JEEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CC1CCC(F)(F)CC1)[C@@H]1CCS(=O)(=O)C1 1705561468 QLFYQAIYAVKRMC-WIYYLYMNSA-N 486.585 2.382 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1nc2cc(OC)ccc2n1C)[C@@H]1CCS(=O)(=O)C1 1705570434 NJIYASNPPQYDAZ-QGZVFWFLSA-N 484.626 2.437 30 10 JEEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1705686602 DVMOVEGUCSVUIY-UHFFFAOYSA-N 474.367 2.021 30 10 JEEE C=CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1705945253 GJTTWGKSPYSKOU-QZTJIDSGSA-N 454.604 2.468 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@H](C)c1nccs1 1706619552 IFUSOBHGRGVRAG-MRXNPFEDSA-N 465.587 2.270 30 10 JEEE CCN(CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](C(=O)NC)C1)C(=O)OC(C)(C)C 1710149448 ACJMSXMJIPKULH-IBGZPJMESA-N 483.573 2.025 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(c2ccccc2C)CCOCC1 1722275841 GLFGDLWSZMJNPT-RBUKOAKNSA-N 459.616 2.403 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1722280155 VHVDNSMXXBYSLT-WAOWUJCRSA-N 473.540 2.430 30 10 JEEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](OCCOC)C1 1722333790 ZNQVTYQBBOZXEX-MOPGFXCFSA-N 463.579 2.242 30 10 JEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CC[C@H](C)c1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1722360171 ZTFRGCVEHHGULE-FPOVZHCZSA-N 499.637 2.343 30 10 JEEE C#CCN(c1nnc(CSc2ccc(C)cc2)n1CC[C@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1722371210 UWCXFSATRKCGFH-PMACEKPBSA-N 490.651 2.311 30 10 JEEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(NC(=O)C2CCCC2)c1 1722372837 FOXIANOPPYTFLJ-SFHVURJKSA-N 482.610 2.138 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCC(=O)NC(C)C)CC1 1722445226 UPCJXJSRICHPRB-GOSISDBHSA-N 484.576 2.438 30 10 JEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](Cc2ccc(F)cc2)C1 1722451032 FKGDNZXZCQBLNI-FUHWJXTLSA-N 465.620 2.463 30 10 JEEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 1722537802 RBBZAZPRZULZOE-IBGZPJMESA-N 472.565 2.275 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1722690378 JAVKEIUYIWTHRS-CNNODRBYSA-N 486.592 2.406 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1722692880 ZQZWAKBRACTZQB-UHFFFAOYSA-N 497.600 2.364 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1722696411 MGVICQRETJQLNY-UHFFFAOYSA-N 456.554 2.226 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCc2ccc(Br)cc2C1 1722697043 DUTGAJKMEYJJCG-UHFFFAOYSA-N 456.348 2.306 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 1722729443 KVGBOWTXCNXOSS-KBXCAEBGSA-N 451.618 2.238 30 10 JEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N(C)[C@@H](C)c1ccc(F)c(F)c1 1722729965 CPVQUEHJQZBWCI-HNNXBMFYSA-N 467.542 2.477 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1Cc1ccc(C)cc1F)[C@@H]1CCS(=O)(=O)C1 1740616016 PSADQGIWSKSXQX-LJQANCHMSA-N 475.590 2.319 30 10 JEEE C#CCN(c1nnc(-c2ccc3ccccc3n2)n1CCSCCCO)[C@@H]1CCS(=O)(=O)C1 1740618914 DDBYFSBOCBLQRB-LJQANCHMSA-N 485.635 2.236 30 10 JEEE C#CCN(c1nnc(C2CCCC2)n1C[C@@H]1CCN(CC(F)(F)F)C1)[C@@H]1CCS(=O)(=O)C1 1740622695 GYZKGQAEELITJR-SJLPKXTDSA-N 473.565 2.447 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc3cccnc23)n1CC1CCS(=O)(=O)CC1 1740682933 OHCVVYPWILXFJI-UHFFFAOYSA-N 453.568 2.404 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H]2CCCN(C(C)C)C2)CC1 1740692861 PYFYPNUTVDTDFA-RCZVLFRGSA-N 458.651 2.194 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCc2nnc(C)s2)CC1 1740699575 MADIJTOFJWJRAG-UHFFFAOYSA-N 462.583 2.277 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1740799438 MCIBDJHSVHWJRY-GUDVDZBRSA-N 469.652 2.307 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](COCC)C1 1740850799 KTDRYNPIKDDBGX-MSOLQXFVSA-N 455.625 2.076 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC(C)(C)O 1740923705 SGSWQVUGMJIZIN-KRWDZBQOSA-N 469.633 2.026 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1740955468 VKAMMBRYTZBUET-KRWDZBQOSA-N 484.601 2.396 30 10 JEEE Cc1cccc(CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)Cc2cccc(C#N)c2)n1 1742343119 AZIOVHZEGFWLMN-JOCHJYFZSA-N 495.609 2.065 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1CCS(=O)(=O)N(C)C 1748654446 INZLHWZJNNBQSY-AWEZNQCLSA-N 454.394 2.365 30 10 JEEE C#CCCCCn1c(N2CCN(C(=O)NC)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1748731088 TYVWCNNRWAPWKT-HDICACEKSA-N 459.595 2.314 30 10 JEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCn1cc(Br)cn1 1748773762 FNEASVXVSFMAFC-UHFFFAOYSA-N 491.419 2.275 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC[C@]1(O)C[C@H]2CC[C@H]1C2 1748831686 UDWNNFFWOAVZLO-OWHZGTRUSA-N 481.622 2.209 30 10 JEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C 1748901266 VQNKMGRLPWYOEX-IBGZPJMESA-N 454.575 2.263 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@]2(N(C)C)CCSC2)CC1 1748978831 PQDGKMIXGRRCHD-HXUWFJFHSA-N 478.464 2.228 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2Cc2ccc(OCCN(C)C)cc2)CC1 1749010316 PUYYLNKCDOOWPS-XMMPIXPASA-N 494.640 2.474 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1749039571 WSQPHDVMLXNTRH-RCCFBDPRSA-N 497.687 2.286 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H]1CCCS(=O)(=O)C1 1749599370 CVVSVQNEHQOVFH-PXNSSMCTSA-N 462.572 2.254 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1749659045 SIBYWYAOPPNDLH-SFHVURJKSA-N 484.402 2.495 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1749730806 RDLVISXWRNVIEC-QGZVFWFLSA-N 491.618 2.029 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCN(c2ccccc2)CC1 1749737237 ZVJIMIQUSCLUND-UHFFFAOYSA-N 452.584 2.191 30 10 JEEE CC(C)CN1CCO[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H](CC(N)=O)C2)C1 1750844796 CYOAQDDSHZNZJR-IFMALSPDSA-N 465.602 2.265 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2Cc2csc([C@@H](C)OC)n2)c1 1760128615 NRYZNJJBCUCMJB-DNVCBOLYSA-N 493.593 2.498 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1Cc1c(CC)noc1C)[C@H]1CCS(=O)(=O)C1 1760184258 HZSSDLUWJJQNMT-KRWDZBQOSA-N 469.567 2.488 30 10 JEEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1CCCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1760188846 DJMCSSIDKFOZJY-QGZVFWFLSA-N 480.516 2.486 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1Cc1occc1C)[C@@H]1CCS(=O)(=O)C1 1760190913 WMBKHAQBIIFNCA-LJQANCHMSA-N 454.552 2.454 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1CCCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1760191003 YZILDPKTFOGZFO-OAQYLSRUSA-N 482.610 2.099 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(O)CCCCCC1 1760197395 VQXWGMFWYLIZSP-UHFFFAOYSA-N 469.611 2.354 30 10 JEEE C#CCN(CCOC)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CC[C@]2(CCOC2)O1 1760253224 OAAFARDYAXLDGY-XUZZJYLKSA-N 451.527 2.153 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@](C)(O)c2ccco2)CC1 1760259100 YCIDMYRFORMNBZ-XMMPIXPASA-N 451.527 2.218 30 10 JEEE C#CCSCCn1c(-c2ccccc2OC)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1760277882 HXYKJEIYPYFLLE-SFHVURJKSA-N 475.640 2.324 30 10 JEEE C#CCSCCn1c(N2CCN(CC(F)(F)F)[C@@H](C)C2)nnc1[C@]1(OCC)CCOC1 1760286818 WDMMEEPVOFPXPT-LPHOPBHVSA-N 461.554 2.369 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1760514404 DTXICMAEYNQBLZ-FQEVSTJZSA-N 495.628 2.139 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1760515299 CPYCJJMYMASZDH-MOPGFXCFSA-N 472.565 2.160 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1760517364 KTBNRFQJLIODSV-AEFFLSMTSA-N 471.558 2.278 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(Cc2ccccc2OC)CC1 1760518954 MYMNSDUBGWMFAY-UHFFFAOYSA-N 450.543 2.480 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC([C@](C)(O)C(F)(F)F)CC2)nnc1[C@]1(OC(C)C)CCOC1 1760529151 XYLQXAQIAAXSHW-SFTDATJTSA-N 489.539 2.151 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 1760555037 UVYGSDBKFZTJTH-UHFFFAOYSA-N 462.576 2.312 30 10 JEEE CC(C)(C)S(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CO)CC1 1760803564 IACQZXDTLAUDCA-UHFFFAOYSA-N 461.588 2.151 30 10 JEEE CC[C@H](c1ccccc1)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCS(C)(=O)=O 1762104165 HQYCYLURTRVDFY-HXUWFJFHSA-N 496.641 2.105 30 10 JEEE CNC(=O)CC1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(C)n(C)c2=O)CC1 1767733259 ABDXIVDIXNNNIQ-UHFFFAOYSA-N 459.554 2.225 30 10 JEEE COC(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C(C)C)N2CCOCC2)C1 1769397497 CXGIVMLDLXCMOU-JTHBVZDNSA-N 496.612 2.475 30 10 JEEE N#C[C@@H]1CN(c2nnc(-c3cccc(OC(F)F)c3)n2CC2CCS(=O)(=O)CC2)CCO1 1771535864 BEBNKNCBHXVLSW-QGZVFWFLSA-N 467.498 2.100 30 10 JEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)c1cccc(F)c1 1772564320 GPDDYBNFBCIYHZ-GOSISDBHSA-N 451.568 2.350 30 10 JEEE COc1cc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCCNC=O)cc(OC)c1O 1862488357 XWWHOMNUGMGJFI-HXUWFJFHSA-N 454.479 2.432 30 10 JEEE CC(C)(C)OC(=O)NC[C@@]1(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CC1(F)F 1887013703 HOWXSSLNNNDGAP-LJQANCHMSA-N 454.283 2.264 30 10 JEEE CC1(C)OB(c2nscc2C(=O)NCC2CN(C(=O)OCc3ccccc3)C2)OC1(C)C 2243422146 ACPFLTYDJMUZIH-UHFFFAOYSA-N 457.361 2.441 30 10 JEEE CN(CCN(C)C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)C(=O)OCc1ccccc1 2247843877 RVBQIAQHDUFDIF-UHFFFAOYSA-N 454.336 2.116 30 10 JEEE Cc1nc(C(=O)N2C[C@@H](C)C[C@@H](NC(=O)C(F)(F)F)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2267166837 YBRNXHGKWGBZKU-CMPLNLGQSA-N 461.315 2.280 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@H]2NS(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2267379490 RQANFKHVLSKXMZ-HFTRVMKXSA-N 464.393 2.272 30 10 JEEE CCN(CCN(CC)C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1)C(=O)OC(C)(C)C 2267506088 RXPBFEGVKQEYQP-UHFFFAOYSA-N 450.389 2.438 30 10 JEEE COC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)Oc1ccc(N)c(B2OC(C)(C)C(C)(C)O2)c1 2267814350 AZBBWCUWZRGBJC-SUMWQHHRSA-N 450.341 2.402 30 10 JEEE C=C(CN(C)C(=O)C[C@H]1CS(=O)(=O)CCN1C(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2268650140 NQFJSQNFGJVLKV-INIZCTEOSA-N 472.413 2.057 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1[C@H](C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)C1(F)F 2268720276 SBPMADSZVMUJNJ-QWHCGFSZSA-N 473.351 2.465 30 10 JEEE CC1(C)OB(c2c(F)cccc2C(=O)NC[C@@H]2CNCCN2Cc2ccccc2)OC1(C)C 2281786655 WNGPAJOYHZJCKI-IBGZPJMESA-N 453.367 2.329 30 10 JEEE Cc1c(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(F)(F)F)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281800383 IIAKYHLJGWLFAP-GFCCVEGCSA-N 476.305 2.213 30 10 JEEE Cc1c(C(=O)N[C@@H]2C[C@H]3C[C@H]2CN3C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281989750 DKQNIGCAAYZHRP-ARFHVFGLSA-N 460.384 2.155 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CC12CC2 2282025293 MVGGDJIJMPUUFQ-INIZCTEOSA-N 458.368 2.438 30 10 JEEE C[C@@H]1CN(S(=O)(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)CC[C@H]1NC(=O)C(F)(F)F 2282345068 NQQNYBVNOQVDPQ-CZUORRHYSA-N 476.326 2.063 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@H](CNC(=O)c2cc(F)ccc2B2OC(C)(C)C(C)(C)O2)C1 2282401846 XFZYZRLPDXKWGV-INIZCTEOSA-N 464.343 2.491 30 10 JEEE CC(C)(C)OC(=O)N1CCN([S@@](C)(=O)=NC(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)CC1 2282532002 QUNAPHMXUIQOSH-XIFFEERXSA-N 483.396 2.285 30 10 JEEE Cn1ncc(C(=O)NC[C@@H]2C[C@H]3[C@H]2CCN3C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2282540444 KCQNLIDYKNUNPQ-ZOBUZTSGSA-N 460.384 2.095 30 10 JEEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CCNC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2282549105 FNIFECVGVLTDDG-HZPDHXFCSA-N 462.400 2.342 30 10 JEEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)N(C(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C1 2282551659 LHPIFLFWEIEOBH-CVEARBPZSA-N 462.400 2.437 30 10 JEEE CC1(C[S@](C)(=O)=NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CN(C(=O)OC(C)(C)C)C1 2282577640 HSLBOIKTRRKTEO-XIFFEERXSA-N 482.412 2.204 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H](C)[C@H](CNC(=O)OC(C)(C)C)C1 2282582228 TYYMPLJPMSVZDR-JKSUJKDBSA-N 462.400 2.435 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H]2CN(C(=O)c3ncc(B4OC(C)(C)C(C)(C)O4)cn3)C[C@@H]2C1 2282621240 PSXSBSOKPWMGQC-CVEARBPZSA-N 458.368 2.105 30 10 JEEE CC1(C)OB(c2c[nH]c(C(=O)N3CCC[C@H]4CC[C@]43CNC(=O)C(F)(F)F)c2)OC1(C)C 2282636221 JWRJYCYDKKWZMF-RBZFPXEDSA-N 455.286 2.377 30 10 JEEE CC1(C)OB(c2ccc(C(=O)N3CCC[C@H](CNC(=O)C(F)(F)F)C3)c(O)c2)OC1(C)C 2282806186 HKMVJZZDAYDGOY-CYBMUJFWSA-N 456.270 2.222 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H]2CC[C@H]1N2C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2283066980 CZRMTJDKIZIEON-BZUAXINKSA-N 458.368 2.294 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@](F)(CNC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2283072875 VCPWRFRIPIBLLL-CAJLXGCNSA-N 464.347 2.149 30 10 JEEE CC(C)(C)OC(=O)N[C@]1(C(=O)NCc2cc(B3OC(C)(C)C(C)(C)O3)ccc2F)CCOC1 2284030854 LFILLQVVQMXELB-HSZRJFAPSA-N 464.343 2.425 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N1CC[C@@H](NC(=O)C(F)(F)F)[C@H](C)C1 2285206621 PSELGRBCGNKKFJ-UKRRQHHQSA-N 455.286 2.218 30 10 JEEE Cc1ccnc(C(=O)N(CCNC(=O)OC(C)(C)C)C[C@H](C)O)c1B1OC(C)(C)C(C)(C)O1 2285396921 AOXWCUBSWODJKT-INIZCTEOSA-N 463.384 2.037 30 10 JEEE COc1ccc(C=Nn2c(CNC(C)=O)nnc2SCC(=O)Nc2ccccc2)cc1O 2330718915 PAYBISNNGCVSSH-UHFFFAOYSA-N 454.512 2.241 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(C)CCCN(C)C(=O)OC(C)(C)C)n1C 2337393936 GMBZRRLUTSIMFA-UHFFFAOYSA-N 450.389 2.357 30 10 JEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2C[C@@H]3C[C@@H](OCc4ccccc4)C[C@H]23)n1 2359280341 QGJRJXUWTHNLFT-RDGPPVDQSA-N 452.364 2.228 30 10 JEEE CC(C)(C)OC(=O)N1CC2(CC[C@@H](NC(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)o3)CO2)C1 2362297236 DGPHERPWLYTCBN-OAHLLOKOSA-N 462.352 2.477 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)n1C 2362566496 LRXPOOXDCMNZGZ-PMACEKPBSA-N 450.392 2.374 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(C)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2F)n1C 2369674368 RPWACLZWQQQRGY-HUUCEWRRSA-N 466.363 2.057 30 10 JEEE COc1cc(NC(=O)c2cccc(/N=C3\N[C@@H]4CS(=O)(=O)C[C@H]4S3)c2)cc(OC)c1OC 9860325 UKIXELQKAJFERU-CRAIPNDOSA-N 477.564 2.454 30 10 JEEE C/C(=N\Nc1nc2c(c(=O)n(C)c(=O)n2C)n1C[C@H](O)COc1ccc(C)cc1)c1ccccc1 33850660 CTFUWBSXFQDTGW-VEMGOHLESA-N 476.537 2.018 30 10 JEEE C=CCNC(=O)CN1CCN(C(=O)CSc2nnc(-c3ccco3)n2Cc2ccccc2)CC1 516247827 SZVLDMNTRMRDPE-UHFFFAOYSA-N 480.594 2.125 30 10 JEEE C=CCS[C@@]1(C=O)N=N[C@@](S)(C=O)c2[nH]c(-c3nc4c(S)nnc(S)c4[nH]3)nc21 575629981 HUDDTMARIUEEMU-HUUCEWRRSA-N 464.583 2.339 30 10 JEEE N#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@H](O)C(=O)O 757401131 NLALPIABDKDHFO-SFTDATJTSA-N 451.479 2.149 30 10 JEEE CC1(C)O[C@@H]2C[C@@H]3[C@H]4C[C@@H](F)C5=CC(=O)C=C[C@]5(C)[C@]4(F)[C@H](O)C[C@@]3(C)[C@]2(C(=O)CO)O1 1076382932 FEBLZLNTKCEFIT-PQGSXFPXSA-N 452.494 2.367 30 10 JEEE CC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)CSc2n[nH]c(NN=Cc3cccnc3)n2)cc1 1084651843 QPKDRKGTASJZGA-AWEZNQCLSA-N 488.599 2.453 30 10 JEEE C=C(C)CN(CC(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1)Cc1ccccc1 1194051703 HQDJLQGGXOZSCP-UHFFFAOYSA-N 457.596 2.402 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCN1CCOC[C@H]1C 1286290594 TXEOAAAGWNAJBF-RBUKOAKNSA-N 463.586 2.244 30 10 JEEE C#CCN(c1nnc(C(C)C)n1C[C@@H](c1ccc(C)o1)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1286386296 YFNCVHAFXNJIML-PMACEKPBSA-N 475.615 2.003 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1cc(Cl)c(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1286390571 AXSAUIJAMBKPSM-SJORKVTESA-N 495.001 2.128 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)(C)C)n2CC2CCN(C(C)=O)CC2)n1 1286470167 RAWLTWNVUURBSI-UHFFFAOYSA-N 455.607 2.317 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2Cc2ccc(OC)nc2)CC1 1286486720 HVMFQEPJUUXVOM-UHFFFAOYSA-N 490.564 2.380 30 10 JEEE C=CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1286685844 VCLSNZDXFIOFRF-QHCPKHFHSA-N 472.615 2.268 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1nnn(C)n1 1286745634 YKHKRBKLAOQSOA-QFIPXVFZSA-N 456.526 2.222 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(C)oc2ccccc12 1286773777 RUYMEZCWAMDITE-OAQYLSRUSA-N 489.598 2.353 30 10 JEEE C=CCn1c(CNC(=O)c2cccs2)nnc1N(C)C1CCN(CCn2cccn2)CC1 1286776769 YYDJETDTDKPGRU-UHFFFAOYSA-N 454.604 2.253 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H]2CCS(=O)(=O)C2)C1 1286806498 CSTQZICKSFJGLZ-JKSUJKDBSA-N 452.527 2.363 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)C1 1286810155 NXEIDFQHUMRHOD-RCCFBDPRSA-N 483.635 2.217 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2C[C@]2(O)CCSC2)c1 1300334821 VBUZGIWWANHYQG-XMMPIXPASA-N 462.579 2.188 30 10 JEEE C#CCCCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1300347554 AVLJXKAJPPTHCI-QFIPXVFZSA-N 450.587 2.500 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1csc([C@@H](C)OC)n1)[C@H]1CCS(=O)(=O)C1 1300487527 KKCMNVDCOSXRJB-QAPCUYQASA-N 472.596 2.179 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1CC1(COC)CCC1)[C@H]1CCS(=O)(=O)C1 1300497253 AEMFCWZJHHHKSR-FQEVSTJZSA-N 472.611 2.321 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CC1(O)CCCC1)[C@H]1CCS(=O)(=O)C1 1300499444 RXPNQIKPDLBCCG-INIZCTEOSA-N 464.538 2.079 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CC1CCC(F)(F)CC1)[C@H]1CCS(=O)(=O)C1 1300505720 GQOJKBNFXZWLOF-FHWLQOOXSA-N 486.585 2.454 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccccc3Br)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1300693277 WFVBUGAMFJZQJE-KRWDZBQOSA-N 492.443 2.288 30 10 JEEE C#CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](NC(C)=O)C1 1300763703 RBLVEUYGFHEDAG-RBUKOAKNSA-N 492.646 2.058 30 10 JEEE COCC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(OC)nc2)CC1 1300903218 FMEBWVGVBHWENH-UHFFFAOYSA-N 461.526 2.000 30 10 JEEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1301058563 BJTNMJIXZDWMMU-RDJZCZTQSA-N 462.016 2.005 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1301586695 IIXRHJDXPXKZDG-HNNXBMFYSA-N 483.541 2.025 30 10 JEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1301611318 BIJMVHXTGYIKEO-DOTOQJQBSA-N 450.634 2.347 30 10 JEEE CCC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1306528677 GUKFXHKHOJRXFY-RUZDIDTESA-N 467.618 2.358 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1cccc(C(=O)NC)c1 1358890421 PCIRXRULVIZGMM-SFHVURJKSA-N 458.570 2.318 30 10 JEEE C#C[C@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1CC[C@H](N1CCOCC1)C(F)(F)F 1358897053 SAFSQISMWGVJPV-WMZOPIPTSA-N 453.513 2.251 30 10 JEEE C#CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1358904483 FKPBUQCWWKYAQU-UHFFFAOYSA-N 494.987 2.252 30 10 JEEE C#CCCCCn1c(N2C[C@H](C)[C@@H](N3CCCN(C(C)=O)CC3)C2)nnc1[C@@]1(OCC)CCOC1 1358917373 OYLKDZFJDVTHIW-RZPFDVGOSA-N 486.661 2.113 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H](CC)OC)[C@@H]1CCS(=O)(=O)C1 1358958458 ONMWGFVYZMRFEY-MSOLQXFVSA-N 462.572 2.014 30 10 JEEE C#CCN(c1nnc(-c2cccc3cccnc23)n1C[C@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1358959695 NYEWGJJFSQIDKZ-PKOBYXMFSA-N 452.584 2.070 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H](C)N1CCOCC1 1359024971 ZIGOLFHCTMIQFN-SFTDATJTSA-N 490.649 2.199 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCCn2ccnc2C)CC1 1359028107 HLYJLILXPXYAIJ-UHFFFAOYSA-N 460.586 2.498 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(OC(F)F)c(F)c2)CC1 1359044161 XNGXVVFBPZQBEN-UHFFFAOYSA-N 485.470 2.490 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2cccc(F)c2)C1 1359056652 JBHLOLUIZUMJOR-IEBWSBKVSA-N 464.588 2.264 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(C(F)(F)F)n1 1359064608 WSLLEHXZUJPPBC-FZKQIMNGSA-N 456.494 2.343 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cc(C)cc(C)c1 1359070434 MNALCFQYGFDMDK-ZJSXRUAMSA-N 471.627 2.463 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](c2ccccc2OC)C1 1359122044 UUPDFNNUSMVDFI-FXAWDEMLSA-N 461.588 2.190 30 10 JEEE C=CCn1c(COc2ccccc2CC)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1359289876 RFUFZCULSGHSES-UHFFFAOYSA-N 485.614 2.158 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(Cc2cscn2)CC1 1359294151 LZHXLNOXDNHMBL-UHFFFAOYSA-N 483.598 2.043 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1359294358 RGUHCPQNANITDH-MRXNPFEDSA-N 477.960 2.277 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](CNC(=O)Nc2ccc(C)cc2)C1 1359301043 QFVPBWQGLCBWST-WOJBJXKFSA-N 481.601 2.431 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1359302013 UJTJIGMQLPGZRH-KRWDZBQOSA-N 457.922 2.094 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1359334342 BQMNPNGYIJPGKC-UHFFFAOYSA-N 460.560 2.066 30 10 JEEE N#Cc1cn(CCC(=O)Nc2nnc(Cc3ccc(C(F)(F)F)cc3)s2)c(=O)nc1O 1451524337 CEUZFPSBUBIMNR-UHFFFAOYSA-N 450.402 2.310 30 10 JEEE N#Cc1c(F)cccc1N1CCN(C(=O)N[C@H]2CC(=O)N(CCOc3ccccc3)C2)CC1 1468983258 DFEYORSWZOHRDF-SFHVURJKSA-N 451.502 2.209 30 10 JEEE CCC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CCO1 1500240322 COQGZGZJCSRXCG-QUCCMNQESA-N 458.588 2.104 30 10 JEEE CN(C)C(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](c2nccs2)C1 1503366557 BVHZDEQLHZVQJT-SFHVURJKSA-N 467.555 2.241 30 10 JEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccc(OCC)cc2C1 1507563852 JJWNBBDNKRYGBR-QFIPXVFZSA-N 487.626 2.376 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@H](C)Cc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1507631565 QSQRVSJJLUTORP-NQIIRXRSSA-N 482.610 2.193 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@@H]1CCOc2ccccc21 1507711853 ZZDHTCSRBXBAJZ-RTBURBONSA-N 458.584 2.223 30 10 JEEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1507835717 KLUZZKFHRUJQGW-IBGZPJMESA-N 477.573 2.413 30 10 JEEE C=CCNC(=O)Cn1c(N2CC[C@H](C)[C@@H](OC)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1508097693 JXUZVKFOQMVCPU-FJIDUMEYSA-N 462.595 2.212 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1508135028 DDZIVAYPTBKHNM-MRUHUIDDSA-N 482.006 2.367 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCCC[C@@H](C)C1 1508135132 KMFHVWUFCHKKIZ-GOSISDBHSA-N 495.671 2.423 30 10 JEEE CCn1c(=O)c2ccccc2n(CC(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)c1=O 1524576861 BAIADLDFZSUIBR-UHFFFAOYSA-N 451.914 2.057 30 10 JEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 1539053393 QVODAQPYISTHLA-KSSFIOAISA-N 465.542 2.222 30 10 JEEE C#CCN(c1nnc(Cn2ccc3ccccc32)n1CCOC(C)C)[C@@H]1CCS(=O)(=O)C1 1539230736 PVEXOEVZZDDQMA-HXUWFJFHSA-N 455.584 2.333 30 10 JEEE C#CCN(CC#CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCS(=O)(=O)CC 1539324235 RHRYVGNJPJRXIQ-UHFFFAOYSA-N 477.631 2.290 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cn(C)c4ccccc34)n2CC(=O)N(C)C)n1 1539423758 FMODJDHXGPXBMM-UHFFFAOYSA-N 474.569 2.008 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCN2CCOC[C@H]2C)CC1 1539436423 RNYCZPYFCZAQNC-GOSISDBHSA-N 458.994 2.083 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@H]2CCCN(CC(C)C)C2)CC1 1539476967 IJAATUNNUCKYFK-FQEVSTJZSA-N 464.618 2.069 30 10 JEEE C#CCSCCn1c(COc2ccccc2OC)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1539526174 DULQZDBAXLCGNN-ZWKOTPCHSA-N 455.584 2.289 30 10 JEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1539967384 QMJUEGBEOLOTNK-HRCADAONSA-N 481.541 2.123 30 10 JEEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(S(=O)(=O)c2ccccc2)CC1 1540033784 PFKCZSXRFDQSCM-FQEVSTJZSA-N 473.599 2.265 30 10 JEEE C=CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H]2C[C@H]1CO2 1540910397 HJAAOOOLOCJBFQ-ROUUACIJSA-N 463.629 2.482 30 10 JEEE C=CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@H](C)O[C@@H](COC)C1 1540913849 VMDCZMUWAXDNDN-DLBZAZTESA-N 470.599 2.351 30 10 JEEE COC[C@@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(c2ccccc2C#N)CC1 1555236555 CUNFXGZDZVHJHX-AZUAARDMSA-N 472.615 2.051 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@]1(C)CCCO1)[C@H]1CCS(=O)(=O)C1 1588041637 YXZJAOKNDODVHB-FDDCHVKYSA-N 474.583 2.158 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@]1(N(C)C)CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1588073771 DKUTUNHVXKUAHN-GJPOJAMWSA-N 463.648 2.267 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(NC(=O)[C@H]2CCCO2)c1 1588078801 MMDZGEXMSVTGFO-OAQYLSRUSA-N 483.532 2.164 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@H]2CC(F)(F)CO2)CC1 1588907778 GFFUNPOQZFTMGC-IBGZPJMESA-N 459.497 2.344 30 10 JEEE C=C(Br)Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1589289535 UEWRTHOVXWATBK-PBHICJAKSA-N 469.428 2.262 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CCN(CCOC)C(=O)C1 1589506403 VTQMULOAPJQPME-SIKLNZKXSA-N 455.559 2.230 30 10 JEEE C=C(C)COCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1593717028 AZKYTNNOCCZGNR-NRFANRHFSA-N 485.585 2.383 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC=C(Br)C2)nnc1[C@]1(OC(C)C)CCOC1 1595602615 OPMGBNBQEWYUDA-IBGZPJMESA-N 454.369 2.110 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(C(=O)COC)CC1 1595772689 GLCKUTMMIIOECE-UHFFFAOYSA-N 489.642 2.138 30 10 JEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2COc3cc(F)c(Br)cc32)cc1 1626056787 KNOUJZNVXYTZPR-MRXNPFEDSA-N 453.289 2.363 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(N2CCOCC2)nc1 1689830595 BEDNLOFXEQWXRU-DVECYGJZSA-N 454.575 2.057 30 10 JEEE C#CCN(c1nnc(C(C)C)n1CC(F)(F)CNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1689980610 VGPMDNVJAFUHAQ-HNNXBMFYSA-N 475.562 2.188 30 10 JEEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1[C@@H]1C[C@H]1CCC)[C@H]1CCS(=O)(=O)C1 1689982605 QNRWJBFSEUHRBF-VQQMMKBISA-N 450.605 2.307 30 10 JEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1C[C@@](C)(O)CCOC)[C@H]1CCS(=O)(=O)C1 1689982795 USUMSENSRMEWAD-RXVVDRJESA-N 466.991 2.013 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1CC(C)(C)c1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1689991308 ZNLCYEPXHUFICT-AZUAARDMSA-N 472.611 2.395 30 10 JEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1CCc1nccnc1C)[C@H]1CCS(=O)(=O)C1 1689994371 WVWDZCUNMAPVNO-NRFANRHFSA-N 494.621 2.040 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)Oc1cccc(OC)c1 1690047375 PMQIMILVGATSBZ-RTBURBONSA-N 456.568 2.119 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(OC(F)(F)F)cc2)CC1 1690109633 YOKXTCOQLPOVHS-UHFFFAOYSA-N 462.476 2.216 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCN2CCCC[C@H]2CC)CC1 1690154691 WTPMFBGGZSUXGL-ZRBLBEILSA-N 486.661 2.232 30 10 JEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(Oc2cncc(Cl)n2)CC1 1690309999 QCZJLLBRCOTGOO-MRXNPFEDSA-N 461.954 2.313 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCN2CCC(C)CC2)CC1 1690411052 DBZXTRFNZLTJPW-NRFANRHFSA-N 480.679 2.135 30 10 JEEE C=CCNC(=O)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCO[C@H](CNC(C)=O)C1 1690660336 FFPBCWPCJUCSRD-LJQANCHMSA-N 495.609 2.021 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCC(C)(C)C)C1 1690700443 SGORCNDPZWYNOQ-ZWKOTPCHSA-N 455.625 2.219 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CCN(c2ncccn2)CC1 1690718830 APIVCUMCZQGBEK-UHFFFAOYSA-N 467.599 2.225 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCOC(C)(C)C1 1690722400 HYHLZBBCNDBRBG-UHFFFAOYSA-N 456.572 2.347 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCCOC[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1705563308 UWNAXGOIWRDKRY-FGZHOGPDSA-N 483.594 2.029 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H](C)Oc1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 1705569450 HHIDKGIYOHKUDU-CTNGQTDRSA-N 495.605 2.367 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H]2CCCN(CC(C)C)C2)CC1 1705631828 ANVCVBOPNCRXNQ-OAQYLSRUSA-N 457.667 2.320 30 10 JEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCc2ccc(OC)cc2OC)CC1 1705641981 AXTCRTXMDDTWOS-UHFFFAOYSA-N 463.586 2.155 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2CCCSC2)CC1 1705652567 FEGKXGGXYSKZEU-HOJAQTOUSA-N 461.632 2.111 30 10 JEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 1705664464 PVCZMZGZYRJGKC-IBGZPJMESA-N 481.626 2.325 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC[C@H]1COCCO1 1705885594 XVRJOBNHBYORKD-OALUTQOASA-N 481.594 2.031 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1705895320 BPPJAHMMOAHSSK-SFHVURJKSA-N 486.020 2.034 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@H](C)O[C@@H](C)C1 1705903250 RTSBZQNGYLYFPN-OKZBNKHCSA-N 462.595 2.308 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@]2(OC)CCOC2)C1 1705924735 GCGRKXZBYFLZFM-IECBHUPTSA-N 493.605 2.173 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2NC(=O)CC2(C)C)C1 1705929267 MVZBGFUFEDTYCG-PMACEKPBSA-N 450.543 2.425 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](C[C@@H]2CCOC2)C1 1705937806 FKZJEIOSSRFMCO-RTWAWAEBSA-N 476.647 2.384 30 10 JEEE CC(C)(C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1706152398 HFUPREXTCFQWFG-OAQYLSRUSA-N 465.602 2.423 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)(C)C)n2CCN2CCN(C(C)=O)CC2)c1 1722307107 JJLMUCKFFDTGDU-UHFFFAOYSA-N 479.629 2.087 30 10 JEEE C#CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(C)=O)C[C@H]1C 1722317269 RQOCCUYAVSAWJN-UYAOXDASSA-N 474.606 2.447 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@](C)(O)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 1722372409 WDNRFTNTICPAHM-URXFXBBRSA-N 488.658 2.098 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CN(CC(C)C)CCO1 1722389128 DRJJEZHRFRFDFL-QFIPXVFZSA-N 483.638 2.168 30 10 JEEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1722415424 DGJCZYJAMNDILV-KRWDZBQOSA-N 484.548 2.382 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCCOCC2CCOCC2)CC1 1722444630 CRWKAGYCLDTVIM-UHFFFAOYSA-N 466.586 2.139 30 10 JEEE C#CCSCCn1c(Cn2ccc3ccccc32)nnc1N1CCC(NC(=O)COC)CC1 1722462381 NIVUMGOQFCLNLC-UHFFFAOYSA-N 466.611 2.379 30 10 JEEE C#CCSCCn1c(COc2ccc(C)cc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1722464887 AQLDVXCHDYQCOC-UHFFFAOYSA-N 484.626 2.106 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2OC)n1CCS(=O)(=O)N1CCSCC1 1722472408 KUBXFSSULDRMGW-HSZRJFAPSA-N 489.667 2.248 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2ccco2)C1 1722588220 NFARNLNDUBJDPJ-RBUKOAKNSA-N 479.603 2.384 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccnc3)n2CCCN2CCC[C@H]2C(=O)N(C)C)C1 1722712705 YCPMFUIPNNFCSL-RTWAWAEBSA-N 453.591 2.064 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N(C)Cc1ccc(Br)o1 1722727712 KTDIYTREUAFKGI-CYBMUJFWSA-N 459.366 2.375 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1722731332 KIOYWAGCKCLLMN-UYAOXDASSA-N 455.559 2.367 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1722731942 SFRTWVUGMDGWQC-SFTDATJTSA-N 476.599 2.151 30 10 JEEE C=CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCNC(=O)[C@@H]1CC 1722737475 IAWGPUFGVDBQRO-SFHVURJKSA-N 467.599 2.309 30 10 JEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](COc2ccccc2)C1 1722738541 KSQWGQPLSFCMST-QUCCMNQESA-N 478.640 2.384 30 10 JEEE CC(=O)N(C)C1CCN(c2nnc(Cc3ccccc3C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1722749860 KJLYVHJBHJIFRP-OCOZRVBESA-N 491.596 2.151 30 10 JEEE CC(C)CCN(CCC#N)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@]1(O)CCS(=O)(=O)C1 1723419057 APZIBUWQWDIRPT-QHCPKHFHSA-N 489.598 2.032 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ncnn1C(C)(C)C 1740539990 STYWOSSWIDRCKF-INIZCTEOSA-N 470.603 2.048 30 10 JEEE C#CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@@H](CC(N)=O)C1 1740576149 SDHKSVMDSORETC-IBGZPJMESA-N 450.591 2.347 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@](C)(O)c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1740623064 NKSFCKJKHWNVAY-QTEQDKRBSA-N 476.574 2.193 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(CCOc2ccccc2)n1CCN/C(O)=C1/N=CC=CC1=O 1740733851 LYDHLXZZQXMWLN-KVILIRJJSA-N 460.538 2.418 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(SC)CCN(C)CC2)CC1 1740839622 LWBOUSWVLSGLNH-SFHVURJKSA-N 453.678 2.410 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(Cc2csc(C)n2)CC1 1740960856 DKBPGUQHYRAHOD-UHFFFAOYSA-N 469.590 2.397 30 10 JEEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1748765973 BJEFPQCTSWDDKR-QGZVFWFLSA-N 484.910 2.194 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCc1cccnc1)[C@@H]1CCS(=O)(=O)C1 1748804595 JDLUEOLBFBLPCI-QGZVFWFLSA-N 489.399 2.300 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC(C)(C)SC)CC1 1749001456 RONAYWNCVHCQET-UHFFFAOYSA-N 455.588 2.033 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCN(C)[C@@H](C)CC)CC1 1749009973 YJXAWXNUCPLGCE-SFHVURJKSA-N 490.612 2.290 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NCC)CC1 1749120562 FVXVSZCQKQKEAL-JTHBVZDNSA-N 463.586 2.056 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(C)o2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1749120889 IMBATRWRQBCSGT-SIKLNZKXSA-N 456.591 2.474 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCS(=O)(=O)N(C)C 1749582213 DWXJPCJXAIJVDQ-KRWDZBQOSA-N 468.624 2.420 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](c2ccccc2OC)C1 1749650755 GTLYDOWONGQUCX-QGZVFWFLSA-N 461.526 2.230 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CC[C@@H](C2CCOCC2)C1 1749680637 NHCFECWNIPDPIH-LJQANCHMSA-N 455.559 2.421 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C(C)(C)O)cc2)C1 1749713637 VXFDXXHTPKBQQU-UYAOXDASSA-N 460.600 2.237 30 10 JEEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 1749754611 PEXMBCOVDSLYFM-CVEARBPZSA-N 459.572 2.219 30 10 JEEE CC(C)CN1C[C@@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCNC(=O)C(C)C)CCN2C1=O 1750829409 AANGUZLHPFVRDP-NRFANRHFSA-N 478.601 2.171 30 10 JEEE C[C@@]1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H](CNS(C)(=O)=O)C2)CCCO1 1751302500 BVSCGJHTYLUSSS-GCJKJVERSA-N 458.588 2.151 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC(=O)NCC(F)(F)F 1760125494 QNQJRWGQKVDBMN-KGLIPLIRSA-N 458.485 2.487 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCc1ccccn1)[C@H]1CCS(=O)(=O)C1 1760185360 WIVVPKOYCJAXFK-FQEVSTJZSA-N 451.552 2.218 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CC(C)(C)N1CCC(OC)CC1)[C@H]1CCS(=O)(=O)C1 1760189178 SAJINJQQDPRLPF-PZJWPPBQSA-N 493.674 2.036 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCN1CCOC1=O 1760203215 YEWLWYFNTLBCAD-LJQANCHMSA-N 470.574 2.308 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCCN2C[C@H](C)O[C@@H](C)C2)CC1 1760251577 COJFTNKTDRFMKN-GOTSBHOMSA-N 493.656 2.402 30 10 JEEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2CCC(=O)NC(C)(C)C)CC1 1760262883 FYKJLSINACMRMJ-UHFFFAOYSA-N 452.603 2.132 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1760326379 WOKFRSNCYRYLJL-DENIHFKCSA-N 474.631 2.153 30 10 JEEE C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CCOc2cccc(OC)c2)CC1 1760341159 DNXFGOLLQBULBG-UHFFFAOYSA-N 454.575 2.300 30 10 JEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)CC2CCCC2)CC1 1760355903 ABQOWCUPUAYCCK-HXUWFJFHSA-N 458.607 2.441 30 10 JEEE C=C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@H]2NC(=O)CC2(C)C)CC1 1760384008 HFTIMWSTSBWYDU-LJQANCHMSA-N 472.615 2.267 30 10 JEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1760427502 BKGPVIDSRRMDPA-UXHICEINSA-N 492.650 2.017 30 10 JEEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)c2ccccc2F)CC1 1760449167 CGQBELNEWNQRAQ-FQEVSTJZSA-N 470.549 2.314 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCCN(c2nc(C)ns2)CC1 1760548649 MHLOUUZACIWFOV-OAHLLOKOSA-N 453.638 2.269 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]1c1cccc(OC)c1 1760554760 LYSRZFJKERBPGH-ICSRJNTNSA-N 494.639 2.131 30 10 JEEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1760564425 ZBEXIHIUWDJZPX-WOJBJXKFSA-N 484.674 2.281 30 10 JEEE Cc1nn(C)c(N2CCN(c3nnc(-c4cccnc4)n3CCCN(C)C(C)C)CC2)c1C#N 1762399729 AFULWZVJSKRMDJ-UHFFFAOYSA-N 462.606 2.311 30 10 JEEE CN(CC(=O)N1CCOCC1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CC[C@@H](F)C1 1767008151 CYCBJUHRIIYREB-RTBURBONSA-N 456.522 2.162 30 10 JEEE COc1cc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H](C)CN2CCCC2)cc(OC)c1OC 1769826841 DUWBMGOPAKGBCS-PKOBYXMFSA-N 470.574 2.432 30 10 JEEE N#Cc1cccc(C(=O)Nc2cc(C(=O)N3CCN(c4ccc([N+](=O)[O-])cn4)CC3)ccn2)c1 1860541403 WSBVAVHAHVFAQR-UHFFFAOYSA-N 457.450 2.471 30 10 JEEE NS(=O)(=O)c1ccc(CCNC(=O)C(=O)/C=C/c2ccc(Br)cc2F)cc1 1860736361 KFHRNTALAFUWGL-XBXARRHUSA-N 455.305 2.177 30 10 JEEE C=CCNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1ccc2nc(Cc3ccc(OC)c(OC)c3)[nH]c2c1 1860974212 ZOPVENBZOWKMAO-XLIONFOSSA-N 464.522 2.049 30 10 JEEE C=CCOc1ccccc1[C@@H]1C(C(=O)NCCCNC=O)=C(N)Oc2c1c(C)nn2-c1ccccn1 1864318759 DIPCBZHBCXFCFO-QFIPXVFZSA-N 488.548 2.087 30 10 JEEE COc1cc(C(=O)NCC(=O)Nc2c(C#N)nnn2-c2ccc(F)c(Cl)c2)cc(OC)c1OC 1870140470 STDHMQJPQNFWIO-UHFFFAOYSA-N 488.863 2.326 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)N(C)C[C@@H]2CCCO2)cn1CCN(CC)CC 1870550323 QMFHATMFUNDLQR-QHCPKHFHSA-N 474.646 2.380 30 10 JEEE COc1ccccc1/C=N/n1c(SCC(N)=O)nnc1[C@H]1CC(=O)N(Cc2ccccc2)C1 1874210222 NUYAROOQLNNUCW-SAMQYFKISA-N 464.551 2.262 30 10 JEEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)[C@H](C)Cn3cnc4c3CCCC4)CC2)CC1 1890113412 SWYZIWYDWLHHCF-HSZRJFAPSA-N 469.674 2.435 30 10 JEEE CCN1CCN(c2c(C=C3SC(=S)N(C[C@@H]4CCCO4)C3=O)c(C)c(C#N)c(=O)n2C)CC1 2053515866 NKVDEUXWGMDXJC-INIZCTEOSA-N 487.651 2.088 30 10 JEEE N#CCCCC[C@@H](N)C(=O)Nc1c(I)ncnc1I 2121031298 WWISYIOZKWESDC-SSDOTTSWSA-N 485.067 2.036 30 10 JEEE Cc1ccc(S(=O)(=O)N[C@H](C)CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2255745196 PGFMYPLSZFCCHZ-OAHLLOKOSA-N 454.398 2.486 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2C(NS(=O)(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)s3)[C@@H]2C1 2255774299 QFFCYLCVQBBJBS-CHWSQXEVSA-N 470.422 2.191 30 10 JEEE C=C(CS(=O)(=O)N(C)CCOCCN(C)C(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2255795587 HWRPXEAOUWDICU-UHFFFAOYSA-N 462.418 2.319 30 10 JEEE Cc1c(B2OC(C)(C)C(C)(C)O2)csc1C(=O)NC1(CO)CN(C(=O)OC(C)(C)C)C1 2255871069 KJXLMIUODDKHSA-UHFFFAOYSA-N 452.382 2.067 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2Cl)C1 2267014258 WMRCHXFEVFYCCS-IAGOWNOFSA-N 466.771 2.349 30 10 JEEE CC(C)(C)OC(=O)NC1(CNS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)CCC1 2267468811 NHBHYQTXYQCOGW-UHFFFAOYSA-N 487.453 2.309 30 10 JEEE CC(C)(C)OC(=O)N1CCCO[C@H](CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)C1 2267561576 RFGVHBLGGAQGEB-OAHLLOKOSA-N 450.341 2.335 30 10 JEEE COc1ccc(NC(=O)CN(CCO)C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2268632781 NOEZTOGDSYSHHN-UHFFFAOYSA-N 450.341 2.162 30 10 JEEE Cc1nc(NC(=O)[C@@H]2C[C@@H](F)CN2C(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2268641022 KYSVUIMPOKJASF-HIFRSBDPSA-N 450.320 2.370 30 10 JEEE CN(Cc1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(=O)[C@]1(NC(=O)OC(C)(C)C)C[C@@H](O)C1 2268720599 YAOROIVLYXLVHH-FVUUGDKNSA-N 466.409 2.424 30 10 JEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CN(C(=O)OCc3ccccc3)CC23CCC3)n1 2281956006 SAGAZZPVLVVZSX-GOSISDBHSA-N 495.389 2.035 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N=S1(=O)CCN(C(=O)OC(C)(C)C)CC1 2281970479 RJMFWQIDPJBHBL-UHFFFAOYSA-N 482.412 2.061 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H]2[C@H]1CCCN2C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2282031365 RCDJWMSXJHRQFP-SJORKVTESA-N 458.368 2.390 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](NC(=O)c2ccc(F)c(B3OC(C)(C)C(C)(C)O3)c2)C1 2282479910 YYADRKSFDKCELV-MSOLQXFVSA-N 464.343 2.225 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N[C@H]2CCCCN(Cc3ccccc3)C2)n1 2282509116 GRRJYBFCVQFSNK-IBGZPJMESA-N 474.436 2.052 30 10 JEEE CCc1nc(C(=O)N(C)C[C@H](O)CN(C)C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2282524374 CFWKYAOFVUTNMT-AWEZNQCLSA-N 483.440 2.305 30 10 JEEE Cc1c(C(=O)N(C)C2CCN(C(=O)OC(C)(C)C)CC2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282542637 JTCXROIVAMYYSK-UHFFFAOYSA-N 462.400 2.499 30 10 JEEE Cc1c(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC23CC3)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282554533 FTODRYKNLJGSJV-HNNXBMFYSA-N 460.384 2.157 30 10 JEEE Cc1c(C(=O)NC[C@H](NC(=O)OC(C)(C)C)C2CCC2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282582321 VBTLHFXIRNJAKO-INIZCTEOSA-N 462.400 2.451 30 10 JEEE Cc1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H](CCO)C2)oc1B1OC(C)(C)C(C)(C)O1 2282583694 MZKQRXJPTBRMMV-MRXNPFEDSA-N 464.368 2.331 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N[C@H]2C[C@H](OCc3ccccc3)C2(C)C)n1 2282844606 GNURHEJBUHGMEJ-OALUTQOASA-N 475.420 2.382 30 10 JEEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(O)cc1O 2282966307 DUYUXRZUTXAKAW-CJNGLKHVSA-N 462.352 2.382 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CCc2cc(B3OC(C)(C)C(C)(C)O3)ccc21 2283953126 PGTOTPFBSBBFNL-MJGOQNOKSA-N 458.364 2.245 30 10 JEEE C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2c(cccc2B2OC(C)(C)C(C)(C)O2)C1 2283982143 UNUSOFHFIYAOPP-KXBFYZLASA-N 460.380 2.145 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(CNC(=O)[C@H](F)C2(O)CN(C(=O)OC(C)(C)C)C2)s1 2284063581 ROCJGMDVFAISIQ-INIZCTEOSA-N 484.399 2.292 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N(CCO)CCCNC(=O)OC(C)(C)C 2285194325 PVRLDJGRTPVMGK-UHFFFAOYSA-N 463.384 2.039 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N[C@@H]1COCC[C@H]1NC(=O)OC(C)(C)C 2285206136 UTHPFZARONAVMP-IAGOWNOFSA-N 461.368 2.101 30 10 JEEE CC1(C)OB(c2ccc(O)c(C(=O)N3CCC[C@H](NC(=O)C(F)(F)F)CC3)c2)OC1(C)C 2286120690 MZGCJNIRSUYFKN-AWEZNQCLSA-N 456.270 2.365 30 10 JEEE CN(Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)[C@H](O)C#CC1(S(C)(=O)=O)CCC1 2302954626 GPYOCXNBQAEHNA-VQTJNVASSA-N 450.601 2.343 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](O)CN(c2ncc(Cl)cc2B2OC(C)(C)C(C)(C)O2)C1 2317242936 MTMMKCPSNJESJL-HUUCEWRRSA-N 453.776 2.499 30 10 JEEE COc1ccc(OC)c(C=C2Oc3c(CN4CCN(CCO)CC4)c(O)cc(C)c3C2=O)c1 2324194291 OTBGPAODFWTBMV-UHFFFAOYSA-N 454.523 2.444 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NS(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2334274017 VBGIGKCEPKAKMC-JCGIZDLHSA-N 464.393 2.272 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C12CCC2 2362346700 VSUWHPCQFLCAPG-HNNXBMFYSA-N 460.384 2.381 30 10 JEEE CC(C)(C)OC(=O)N1[C@H](CNC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C[C@H]2OCC[C@H]21 2362570446 YJIFHXXGUUJGOM-NUEKZKHPSA-N 479.408 2.339 30 10 JEEE COc1nc(OC[C@@H]2CN(C)CCN2C(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2365379750 LETBGICHUHYHFC-INIZCTEOSA-N 463.384 2.319 30 10 JEEE CCOc1ccc(NS(=O)(=O)c2ccc(N/N=C(\C#N)C(N)=O)cc2)cc1Br 9507600 RPDCCDYCYUKCST-PXLXIMEGSA-N 466.317 2.425 30 10 JEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)OCC(=O)NC3CCCCC3)nnc12 9550131 FXEWMCLOCWVSPJ-UHFFFAOYSA-N 455.540 2.314 30 10 JEEE COc1cc(NC(=O)CSc2nnc(N/N=C/c3cccc([N+](=O)[O-])c3)n2N)cc(OC)c1 20291902 GFXOOEPIAQNYPD-UFFVCSGVSA-N 472.487 2.094 30 10 JEEE COc1ccc(OC)c(/C=C/C(=O)[C@@H]2CNCC[C@H]2NC(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)c1 585831055 NDWWUMPMETUQLY-FZJMQUMUSA-N 491.544 2.065 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1CCCCN1C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 749593959 CLTGMLVLWJEQCC-HNNXBMFYSA-N 450.561 2.021 30 10 JEEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(F)(c3ccccc3OC(F)(F)F)CC2)C1=O 1128492569 TUIGGJBWHKWXQQ-UHFFFAOYSA-N 457.380 2.349 30 10 JEEE C#CCN(c1nnc(COCC)n1CCNc1ncc(Cl)cc1Cl)[C@H]1CCS(=O)(=O)C1 1286396612 QRQZSIIALVXSOG-HNNXBMFYSA-N 487.413 2.255 30 10 JEEE C#CCSCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC[C@@H](C(=O)OC)C1 1286508883 RGBHKWFMWVJIHW-JOCHJYFZSA-N 496.681 2.399 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1286550142 YQFPFWAGZQQBPU-ROUUACIJSA-N 498.550 2.390 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](C)(CC)C1 1286556952 SFNGVTOKCSQHCI-GHDARCQNSA-N 467.636 2.219 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccsc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1286561243 AOGYUHMRTGXYNP-FPOVZHCZSA-N 486.642 2.085 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc(C(=O)N2CCCC2)n1CC(=O)NCC(F)(F)F 1286760586 PBLMYQYNFCEMNQ-UHFFFAOYSA-N 464.492 2.428 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1286779118 FDDVETONDJBENL-HOCLYGCPSA-N 462.396 2.021 30 10 JEEE CC(=O)N1CCC[C@H](Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3ccc(C#N)cc3F)CC2)C1 1286855335 AYHHIMYXJAXAML-FQEVSTJZSA-N 496.591 2.012 30 10 JEEE CC(=O)N1CCN(c2nnc(CSc3ccc(C)cc3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1286890055 WLSAGGQHCLFJBA-FCQUAONHSA-N 495.609 2.074 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1Cc1ccc(Cn2cccn2)cc1 1288816386 DRCFPXMXAJGEGK-SFHVURJKSA-N 482.614 2.311 30 10 JEEE CCNC(=O)C1(Cn2c(C3CCN(c4ncccn4)CC3)nnc2N(C)[C@@H](C)CC#N)CCC1 1296262854 DLRNGLPQGPFZDB-SFHVURJKSA-N 465.606 2.497 30 10 JEEE C#CCCCCn1c(N2C[C@H](C)[C@H](N3CCN(C(C)=O)CC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1300375722 BKRFWWYHZZSLGV-POGFHVCPSA-N 486.661 2.111 30 10 JEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)Nc2ccccc2)CC1 1300381654 VBHNQKPDMCXYET-QGZVFWFLSA-N 458.588 2.157 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1ccc(C(=O)N(CC)CC)cc1)[C@H]1CCS(=O)(=O)C1 1300487448 JMXPRWVVKHBQMF-NRFANRHFSA-N 494.621 2.430 30 10 JEEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1CCS(=O)(=O)C(C)(C)C 1300587978 ZJCNTCYIEWSDEQ-UHFFFAOYSA-N 452.584 2.193 30 10 JEEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(Br)ccc1OC 1300603173 XOFKIUFBTCJIGL-ZDUSSCGKSA-N 470.393 2.167 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccccc2OCC(C)C)CC1 1300681455 QEFVUFSUFVLZTK-UHFFFAOYSA-N 450.587 2.352 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@]2(O)CCO[C@@H]2C)CC1 1300718591 UGKCJYSLYMSQTJ-VOIUYBSRSA-N 487.988 2.113 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@](O)(c2ccccc2)C(F)(F)F)CC1 1300727457 YFLDBWUPVOWMFL-JPYJTQIMSA-N 491.514 2.198 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCc2ccccc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1300893478 ZRHOTFZTUWJKPC-GPXNEJASSA-N 453.587 2.386 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)Cc1ccccc1OC 1301043624 AAIBFRGXONEDTG-APWZRJJASA-N 484.022 2.440 30 10 JEEE C=C(Cl)Cn1c(N2CCN(c3ccc(C(N)=O)cc3)CC2)nnc1[C@]1(OCC)CCOC1 1301060345 FEFUQQDWOKFQPX-QFIPXVFZSA-N 460.966 2.108 30 10 JEEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(=O)Nc2ccc(F)cc2)CC1 1301429297 SMBXAOBTPAUGMJ-CQSZACIVSA-N 465.555 2.004 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC(C#N)CC1 1301567719 KYNCZLUNAMKHDX-UHFFFAOYSA-N 476.990 2.202 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(OC)cc2)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1301592712 CYIUCGLMZBEFBT-RBUKOAKNSA-N 475.615 2.139 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CCO[C@@H](C(C)C)C1 1301593603 QPJNAZYKTDFNNZ-LJQANCHMSA-N 452.552 2.458 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2OCCC[C@H]2C1 1301593923 XUTFZGCTZDNSBK-PZJWPPBQSA-N 471.583 2.335 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1ccccc1CN1CCOCC1 1303384801 DJASZBIVHWHDNB-RUZDIDTESA-N 465.602 2.427 30 10 JEEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCOC[C@@H]2OC)C[C@H]1C 1316127845 BOIGOUJYRVABNX-COPCDDAFSA-N 454.575 2.025 30 10 JEEE C#CCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1358916295 HCNJDNPQKIRFSP-HSZRJFAPSA-N 475.597 2.275 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC(=O)Nc2c(C)cccc2C)CC1 1359029558 AUFVKSGJZUCYGS-AREMUKBSSA-N 480.613 2.329 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(F)cc3Br)n2CC[S@](=O)CC)CC1 1359032397 MYWCAECCWVVGMS-MUUNZHRXSA-N 468.396 2.371 30 10 JEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](Oc2ncccc2F)C1 1359059988 GLZMAQLNAANQAY-QGZVFWFLSA-N 458.563 2.349 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccccc1C 1359070094 FGUODUBHAADVML-NZQKXSOJSA-N 457.600 2.154 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1OCC=C 1359070348 KYZUMVUPERYWLK-XUZZJYLKSA-N 485.610 2.216 30 10 JEEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1359122157 ALHIDMOWQNPPJT-AABGKKOBSA-N 476.622 2.320 30 10 JEEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1359210243 NLCKGRLKKRCKTE-FQEVSTJZSA-N 488.658 2.320 30 10 JEEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H](C)CN1CCN(CC)CC1 1359237778 MMNQCBJDSQKCRG-IBGZPJMESA-N 464.618 2.088 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@]1(C)COCCO1 1359275147 LSXOXWJYQWMCFN-NZQKXSOJSA-N 460.600 2.221 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1359309364 PQKCRGGCMZRQJR-OAQYLSRUSA-N 465.558 2.341 30 10 JEEE CC(C)OC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)c2cc[nH]n2)CC1 1360367316 GFYWEQRABSJTHQ-UHFFFAOYSA-N 478.557 2.276 30 10 JEEE COC[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1504677552 ICQFHWFHQKJZQB-AZUAARDMSA-N 458.588 2.104 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1CCC[C@@H]1OC)[C@@H]1CCS(=O)(=O)C1 1507634415 NFHFUJMZLGYHIC-TYPHKJRUSA-N 460.575 2.450 30 10 JEEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1C[C@H](C)SC)[C@H]1CCS(=O)(=O)C1 1507638476 FTBKCZFWMQDAJT-IRXDYDNUSA-N 464.613 2.244 30 10 JEEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1Cc1nc(C)cs1)[C@@H]1CCS(=O)(=O)C1 1507638502 FZVPUGPQTUWDSY-QGZVFWFLSA-N 487.607 2.306 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(F)cc1Cl 1507711477 VDILGCQQXHYBHN-MRXNPFEDSA-N 454.955 2.301 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccc(OC(F)F)c(F)c2)CC1 1507718111 BQTNARRFPHHWPB-QHCPKHFHSA-N 479.503 2.474 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1507805931 LNROLMDGHOIHIY-VQIMIIECSA-N 488.530 2.404 30 10 JEEE C=CCCOCCn1c(N2C[C@@H](C)OC3(CCOCC3)C2)nnc1[C@]1(OCC)CCOC1 1507965710 IHMQIMIQYYZQDQ-XXBNENTESA-N 450.580 2.297 30 10 JEEE C=CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1508060939 GZLXQFMEZBAFLU-UYAOXDASSA-N 468.606 2.006 30 10 JEEE C=CCOc1ccccc1Cn1c(N2CCC(C(N)=O)CC2)nnc1[C@]1(OCC)CCOC1 1508107471 CWDNXXPKAGRCNV-DEOSSOPVSA-N 455.559 2.245 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCS(=O)(=O)N(C)C)C1 1508115118 HVRKXGQKGBNAFU-MRXNPFEDSA-N 469.995 2.280 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCCN1CCCCCC1=O)[C@H]1CCS(=O)(=O)C1 1539210954 FKASQQIJSJDOAE-IBGZPJMESA-N 473.599 2.266 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H](C)COc1ccccc1OC)[C@H]1CCS(=O)(=O)C1 1539231035 NRZMWENUGHSBGH-XQBPLPMBSA-N 488.610 2.480 30 10 JEEE C#C[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c1)C1CCOCC1 1539808204 POBORJHEXLEFOA-KHYOSLBOSA-N 454.976 2.296 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)n(C)c1=O 1540129437 USBZQZODWJVELX-JOCHJYFZSA-N 492.605 2.300 30 10 JEEE C=CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H]1CCCCS1(=O)=O 1540194534 RNCOSBUFOJLPOZ-GOSISDBHSA-N 462.572 2.322 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1540866819 BFJDEFPAOUFWSG-UHFFFAOYSA-N 475.475 2.014 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H]1c1csc(C)n1 1540897972 WVYDKYNYLRUEFX-QGZVFWFLSA-N 464.617 2.221 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC(Oc2cncc(Cl)n2)CC1 1540902931 UNFQNVRXEWRIGA-MRXNPFEDSA-N 497.021 2.264 30 10 JEEE CCNC(=O)C1(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)CCC1 1547751512 BWTTUSICJSKMIJ-IRXDYDNUSA-N 472.615 2.381 30 10 JEEE COCCCNC(=O)N1CCC2(CC1)CN(c1ccc(C#N)c(C(F)(F)F)c1)C[C@@H]2C(N)=O 1548377237 GKMOCMCBUPWXJX-GOSISDBHSA-N 467.492 2.327 30 10 JEEE C=CCC1(C(=O)N2CCN(S(=O)(=O)c3cc4c(cc3Cl)NC(=O)CO4)CC2)CCC1 1587754574 NSNCKMKFTJVPTE-UHFFFAOYSA-N 453.948 2.250 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCc1scnc1C)[C@@H]1CCS(=O)(=O)C1 1588045551 MNADPAQSQMEWAM-LJQANCHMSA-N 466.592 2.451 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Cl)n1CCCN1CCOC1=O)[C@@H]1CCS(=O)(=O)C1 1588045899 SZCXDDTVSYWLJY-MRXNPFEDSA-N 477.974 2.068 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1([S@@](C)=O)CCC1 1588550147 JGZHNAMWGLJMNG-WTPASJBYSA-N 478.615 2.260 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2CCS(=O)(=O)c2ccccc2)CC1 1588891796 UAWHSTMPEVDDTB-GOSISDBHSA-N 457.600 2.231 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2noc3c2COCC3)n1Cc1cccc(OCC(N)=O)c1 1589651759 GZRKYJUZMULISJ-UHFFFAOYSA-N 452.515 2.321 30 10 JEEE C=CCCCn1c(CSc2ccc(C)cc2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1594766787 CXUAZWSHIAYSAO-UHFFFAOYSA-N 496.641 2.312 30 10 JEEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C[C@@H]2CCOC2)C1 1595883979 DYODQRPVKSNBNJ-AABGKKOBSA-N 499.703 2.173 30 10 JEEE CO[C@@H](C)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1618946856 GXFDCPKRWNTGJN-SJORKVTESA-N 466.521 2.408 30 10 JEEE CC[C@@H]1Oc2cc([C@@H](C)NC(=O)[C@H](C)NS(=O)(=O)c3ccc(C#N)cc3)ccc2NC1=O 1620715656 DKZXLNOTUZBDTP-TYILLQQXSA-N 456.524 2.212 30 10 JEEE C#CCOc1ccc(CNS(=O)(=O)[C@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2OC)cc1 1622151961 KAVZIHIEWJWUEJ-VXKWHMMOSA-N 458.536 2.154 30 10 JEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCCN([C@@H](C)c3ccccc3F)C2=O)c1 1636223492 DPCJZCWPIGIASK-HRAATJIYSA-N 457.527 2.219 30 10 JEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H](c1ccc(F)cc1F)c1nccn1C 1648467439 GBZWLJAVTZDJRE-YJYMSZOUSA-N 459.478 2.143 30 10 JEEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(NC(=O)C2CC2)CC1 1689878579 NSOXQMWKUZENIE-UHFFFAOYSA-N 498.653 2.494 30 10 JEEE C#CCN(c1nnc(-c2cc(C)nc3ccccc23)n1C[C@@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1689982184 JDMJWFWZQNFCLA-QZTJIDSGSA-N 453.568 2.463 30 10 JEEE C#CCN(CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC1([S@](C)=O)CCC1 1690083008 WTWCSHUVTOZRAH-XIFFEERXSA-N 468.671 2.404 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccn3C)n2C[C@H](C(CC)CC)N2CCOCC2)CC1 1690120272 OLUWJUQVCIIWCD-HSZRJFAPSA-N 453.635 2.176 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCCN(C)c2ccccc2F)CC1 1690152353 INORYUQGLCFORQ-UHFFFAOYSA-N 495.603 2.032 30 10 JEEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)CC(=O)N(C)[C@@H](C)c1ccccc1 1690327977 BYUCYHFLXUUXFE-CVEARBPZSA-N 469.011 2.297 30 10 JEEE C=C(Cl)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1690350287 DXHIVDFXAHVFGU-UHFFFAOYSA-N 458.950 2.345 30 10 JEEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1690465411 ZUUWIWLHPXSMGF-KRWDZBQOSA-N 476.603 2.232 30 10 JEEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 1690485230 NSZGUFZUKFVIDJ-SFHVURJKSA-N 490.605 2.046 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 1690669081 SXUIQDPGMOPTMC-HNNXBMFYSA-N 463.468 2.038 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCCC(C)(C)C1 1690719887 UVQUDKISAMOABZ-UHFFFAOYSA-N 456.576 2.148 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC1(O)CCCC1 1694346976 BMWOWSUWMORBCJ-UHFFFAOYSA-N 466.590 2.095 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCc1ccccn1 1694351237 GGZVAHOOCARJFK-GOSISDBHSA-N 488.600 2.211 30 10 JEEE CCN(C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCc2cnn(C)c2)CC1)S(C)(=O)=O 1695570616 DQFYHPNFBHHFFX-UHFFFAOYSA-N 496.641 2.433 30 10 JEEE CCO[C@]1(c2nnc(N3CCN(c4ccccc4C#N)CC3)n2CCC(=O)N[C@H](C)CC)CCOC1 1696079197 BQGGQECQBKUABU-FQRUVTKNSA-N 495.628 2.433 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCNC(=O)c1ccco1 1705481606 JSFDEUJEHIWVBP-OAHLLOKOSA-N 453.499 2.452 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC(=O)NC(C)C)CC1 1705646651 LTSIVUZMIOSIPU-UHFFFAOYSA-N 474.512 2.037 30 10 JEEE C=C(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1705720229 FZDYAGGFSHIUPP-OAQYLSRUSA-N 463.991 2.453 30 10 JEEE C=C(C)COCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1705738420 XHSAKQUNONYLKF-VWNXMTODSA-N 468.646 2.443 30 10 JEEE C=CC1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCC[C@H]2N2CCCS2(=O)=O)CC1 1705775732 KOWRDCMYFCBLJV-RBUKOAKNSA-N 464.636 2.023 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1705895394 FVBABDOWMLUHMR-QFIPXVFZSA-N 489.418 2.311 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1705906551 IQMADXOZNPYVFB-CYFREDJKSA-N 455.559 2.160 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCN(c2nc(C)c(C)s2)CC1 1705937575 YBNGCJVRKLMJDU-UHFFFAOYSA-N 487.655 2.265 30 10 JEEE CC(=O)N1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1705987514 JAWRWVSIRUDALS-GYHWCHFESA-N 491.596 2.438 30 10 JEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 1722307765 AQBWXEGFLPZSOR-RTBURBONSA-N 487.630 2.250 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 1722381135 ILNUFNDWJUHYKL-QZTJIDSGSA-N 452.559 2.092 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2ccnc(N3CCCCC3)c2)CC1 1722430537 DYBRWFBAEGVXQA-OAQYLSRUSA-N 467.618 2.191 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2CCN2CCOCC2(C)C)CC1 1722448753 GYCOPPKGZMKTLT-UHFFFAOYSA-N 482.604 2.085 30 10 JEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@](O)(Cc2cccc(Cl)c2)C1 1722458454 JYYCHLLDHFSWEE-AVRDEDQJSA-N 460.003 2.433 30 10 JEEE C=C(Br)Cn1c(-c2ccc[nH]2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1722482504 VYXJEPNPNFMWBO-KSSFIOAISA-N 462.396 2.171 30 10 JEEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N(C)C1CCC2(CC1)OCCO2 1722487062 IOTCCLOXVQBJIP-UHFFFAOYSA-N 454.369 2.431 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H]1CC=CCC1 1722509913 RFJGWPVBKUACTK-BQJUDKOJSA-N 479.647 2.385 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN1CCOC[C@@H]1C 1722525779 AVLNSZTZKDKPCV-SFHVURJKSA-N 461.636 2.361 30 10 JEEE C=C(C)COCCn1c(Cc2ccsc2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1722534086 IRRVMAXGNAMGNT-QFIPXVFZSA-N 458.588 2.338 30 10 JEEE C=CCCCCn1c(-c2ccc(F)cc2Br)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1722602174 ROZFLSLXDAOWNH-OAHLLOKOSA-N 491.365 2.350 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC[C@H](CN2CCCCCC2)C1 1722727785 LFRSBSIOTJXNGL-RTWAWAEBSA-N 465.664 2.475 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1722730671 ZJPXLQGAZRWQHM-WMZHIEFXSA-N 476.599 2.151 30 10 JEEE CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CC(OCC)C2)C1 1728170440 CRDACTSDGJZTCO-JMOWIOHXSA-N 466.586 2.489 30 10 JEEE CCOCC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1728956944 BXMVGGGBOKHSOI-UHFFFAOYSA-N 465.602 2.280 30 10 JEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CN(Cc2ccccc2)CCO1 1740641639 MBHXRPUFOAMKCW-JOCHJYFZSA-N 488.617 2.243 30 10 JEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CC[C@](C)(O)c1ccccc1 1740684589 VTLZQXPPHSFFFC-DEOSSOPVSA-N 451.527 2.390 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](NC(=O)OC(C)(C)C)C(C)C)CC1 1740689948 LCGIDVVHMJQKQU-IBGZPJMESA-N 496.616 2.230 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCc2c[nH]c3ccccc23)CC1 1740701208 YFGPNTNZCCQJIF-UHFFFAOYSA-N 461.570 2.106 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CCCS(C)(=O)=O 1740754852 WJPTVZIODGZELE-UYAOXDASSA-N 496.655 2.201 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1740778607 NHBBPCBHQFWNTN-UHFFFAOYSA-N 492.609 2.365 30 10 JEEE C=CC[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1)c1ccccc1 1740856347 SGVRJKCLBHAMSL-CEWLAPEOSA-N 486.642 2.355 30 10 JEEE C=CCCOCCn1c(Cc2c(F)cccc2F)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1740887669 LDJOTIJNYSOFQU-IBGZPJMESA-N 474.512 2.213 30 10 JEEE C=CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1741005492 LEJZZOQMCRZDHR-QGZVFWFLSA-N 457.629 2.365 30 10 JEEE C[C@H](C#N)CN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(C)(C)N1CCOCC1 1741124455 FARJDMYBLBBOQQ-QGZVFWFLSA-N 460.604 2.055 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OCCC)c(OC)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1748657821 JVEWHHVGTKDTFV-ZWKOTPCHSA-N 475.615 2.482 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCC[C@@H]1CC)[C@H]1CCS(=O)(=O)C1 1748805085 NYLYFURGFXTHFC-MXBUBSDBSA-N 464.632 2.383 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1CCCOC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1748809359 LQIINNKAWAOHCZ-FQEVSTJZSA-N 472.611 2.466 30 10 JEEE C#CCN(c1nnc(CSc2ccccc2OC)n1C[C@@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1748824255 MNASVUZYAVCOJO-IAGOWNOFSA-N 464.613 2.241 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@H](F)COC)CC1 1749003219 BNXBQYHWXVXDCT-QGZVFWFLSA-N 465.476 2.497 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CCC(=O)N2CCOCC2)CC1 1749004400 IGCJENPGQPXUAC-QHCPKHFHSA-N 492.624 2.035 30 10 JEEE COc1ccccc1O[C@H](C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CC#N)CC1 1749074416 GKOLBFKRLXARAA-SJORKVTESA-N 476.603 2.494 30 10 JEEE C=C(Cl)Cn1c(-c2ccccc2Br)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1749259877 FFCMPHKAQJFTJZ-UHFFFAOYSA-N 493.793 2.387 30 10 JEEE C=C(Cl)Cn1c(COc2cccc(C)c2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1749278218 WFBVTXATJYFGMV-UHFFFAOYSA-N 472.977 2.189 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@]2(O)CCN(C)C2)CC1 1749342681 LSXCYXQVQVPQAZ-YADARESESA-N 476.622 2.056 30 10 JEEE C=CCC(C)(C)Cn1c(N2CCN(c3ccc(C(N)=O)cn3)CC2)nnc1[C@]1(OCC)CCOC1 1749376683 BLTQWIWNIBUPQX-VWLOTQADSA-N 483.617 2.353 30 10 JEEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1749408178 GOSYFVDCJCSTLU-UHFFFAOYSA-N 457.623 2.005 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)NC(C)C)n1CCN1CCOC[C@@H]1C 1749529289 BCBMVGQJZQVWBF-IBGZPJMESA-N 451.575 2.201 30 10 JEEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)Cc1ccccc1[N+](=O)[O-] 1749669885 OWELVAYVVJTMPM-UHFFFAOYSA-N 491.556 2.299 30 10 JEEE C=CCOc1ccccc1Cn1c(-c2cccn2C)nnc1N1CCC(NS(C)(=O)=O)CC1 1749689867 LIXZWVLJDQNIHM-UHFFFAOYSA-N 470.599 2.415 30 10 JEEE Cc1ccc(OCCn2c(C(=O)NC(C)C)nnc2N2CCN(c3ccc(C#N)cn3)CC2)cc1 1751577641 HZCQQKZEUJXPFO-UHFFFAOYSA-N 474.569 2.397 30 10 JEEE C#CCCCn1c([C@@H]2CCCCO2)nnc1N1CCN(CC(=O)NCc2ccccc2)CC1 1760161520 KVRZKRSMUYUEBW-QFIPXVFZSA-N 450.587 2.372 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1Cc1cccnc1OC)[C@@H]1CCS(=O)(=O)C1 1760186443 NJQLFZMQZXVMRJ-QGZVFWFLSA-N 487.532 2.226 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H](c1ccc(F)cc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1760189399 OTKCUPJVHUQSJV-FGZHOGPDSA-N 482.585 2.409 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1760192953 PVQDGHFLNOJHCP-KSZLIROESA-N 481.619 2.012 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(F)ccc2Br)n1CCCNS(=O)(=O)CC 1760195310 BPVOQEHQXZAQCY-UHFFFAOYSA-N 482.379 2.249 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2ccccc2F)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1760204174 GQOBDSBVZDPULE-JOCHJYFZSA-N 450.562 2.024 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1C[C@@H](c1cccs1)N1CCOCC1 1760209158 WXTLLLKZFUZVCR-IBGZPJMESA-N 454.600 2.014 30 10 JEEE C#CCN1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2C[C@@](C)(O)[C@H](C)CC)CC1 1760254552 AWWAGUGZPRAXBD-HOYKHHGWSA-N 487.674 2.099 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2oc(CCC)nc2C)CC1 1760264633 AVVUECWKZFGBCK-UHFFFAOYSA-N 490.568 2.188 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H]2CCCN(C(C)C)C2)CC1 1760269434 ILDKPUFSKGOFPH-IRLDBZIGSA-N 456.635 2.258 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(CN2CCOCC2)c1 1760338178 ZLDBTLMVPRNXIE-JOCHJYFZSA-N 473.643 2.463 30 10 JEEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(F)cn2)CC1 1760422092 IEXHNTGEDWZPDT-MRXNPFEDSA-N 451.572 2.105 30 10 JEEE C=CCOc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CCC[C@H](C(=O)OC)C2)cc1 1760531612 URIYGFPCTIHKMV-IBGZPJMESA-N 453.543 2.403 30 10 JEEE CSC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@H](CNS(C)(=O)=O)C2)CC1 1770476411 HZHRSIUEPMPWCT-GOSISDBHSA-N 490.655 2.390 30 10 JEEE N#Cc1cccc(C(=O)N2CC[C@@H](NC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)C2)c1 1858298159 GYRZMEPTXSSYNS-OAQYLSRUSA-N 466.563 2.377 30 10 JEEE C=CCNC(=O)NS(=O)(=O)c1ccc(CNC(=O)c2ccc(I)cc2)cc1 1858648329 WIDHBMNNCLFQLA-UHFFFAOYSA-N 499.330 2.395 30 10 JEEE C#CCOC(=O)NS(=O)(=O)c1ccc(CCNC(=O)/C=C/c2ccc([N+](=O)[O-])s2)cc1 1859013393 URVHTKZMTLNLMT-WEVVVXLNSA-N 463.493 2.077 30 10 JEEE COc1ccc([C@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2CCNC(C)=O)cc1O 1862737704 JWTQRXZMIDAWSH-IBGZPJMESA-N 455.423 2.023 30 10 JEEE CCN(CC)CCCNC(=O)[C@H](Cc1ccc(F)cc1)N=C1NS(=O)(=O)c2ccccc21 1869933433 HEAUGFPEIMWHAN-FQEVSTJZSA-N 460.575 2.324 30 10 JEEE COCCCN1C(=O)c2ccc(C(=O)Nc3c(C#N)nnn3Cc3ccc(F)cc3)cc2C1=O 1870106768 FCGCVUMNYGVJLS-UHFFFAOYSA-N 462.441 2.222 30 10 JEEE COC(=O)c1ccc(/C=C/C(=O)Nc2c(C#N)nnn2Cc2cc([N+](=O)[O-])cc3c2OCOC3)cc1 1870111859 FOIKSAWUFMUQSL-QPJJXVBHSA-N 490.432 2.411 30 10 JEEE CN(C)CCn1cc(OCC(=O)Nc2sc3c(c2C#N)CCC3)c(=O)cc1CSCCO 1870224058 YSXXFVBBXJRQAH-UHFFFAOYSA-N 476.624 2.075 30 10 JEEE C=CCN(CC=C)c1nc(=NCCN2C(=O)CSC2=O)nc(Nc2ccc(NC(C)=O)cc2)[nH]1 1871481207 JUWYRVVUBNMASD-UHFFFAOYSA-N 482.570 2.281 30 10 JEEE N#Cc1cccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(N4C(=O)CCC4=O)cc3)CC2)c1 1873867046 KGQKOSDLIXHABS-UHFFFAOYSA-N 466.519 2.251 30 10 JEEE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@@H](CNS(=O)(=O)N2CCC[C@@H](C#N)C2)C1 2140608176 WUPOXDRRXHZRDG-SFTDATJTSA-N 477.631 2.178 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)N1CCC(=CB2OC(C)(C)C(C)(C)O2)CC1 2180984859 YNLNVGGJCODHPM-KRWDZBQOSA-N 486.440 2.495 30 10 JEEE CC(C)(C)OC(=O)NC[C@H](O)CNC(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1Cl 2247929289 DAXMOYFDFCWFIK-LLVKDONJSA-N 460.789 2.316 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H](CCO)C2)C1 2255156848 SNKWSLZEJLQJFH-BNGSBABLSA-N 451.564 2.123 30 10 JEEE Cc1c(C(=O)N2CCN(C(=O)OCc3ccccc3)CC2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2255631580 AXWVBNHBOVGQDR-UHFFFAOYSA-N 468.363 2.122 30 10 JEEE Cc1csc(CNC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)O)c1B1OC(C)(C)C(C)(C)O1 2256627738 BUPMNKCDDSAJKV-CZUORRHYSA-N 454.398 2.246 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CC(NS(=O)(=O)CC2(C#N)CCC2)C1 2259376718 CSPKRAQKDYUAGL-UHFFFAOYSA-N 472.608 2.456 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2ccsc2B2OC(C)(C)C(C)(C)O2)[C@@H]2COC[C@@H]12 2267457309 OHTMHNKVZPCIMK-ARFHVFGLSA-N 464.393 2.411 30 10 JEEE CON(CCNC(=O)OC(C)(C)C)S(=O)(=O)Cc1ccccc1B1OC(C)(C)C(C)(C)O1 2267469400 UYZBWGIHFHBGOS-UHFFFAOYSA-N 470.397 2.204 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC(F)(F)CNC(=O)OC(C)(C)C 2267534856 OCTKJZKDKNVOJS-UHFFFAOYSA-N 458.315 2.092 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CN(C(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)CCO1 2267537134 ONIKKTLBDGVMDT-ZFWWWQNUSA-N 467.397 2.197 30 10 JEEE Cc1cc(C(=O)NC[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)sc1B1OC(C)(C)C(C)(C)O1 2267573825 NVHYQROJGZIOAX-QFIPXVFZSA-N 466.409 2.457 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H]1C[C@H]1CNC(=O)OC(C)(C)C 2267703356 VECXNEXTJPBVCM-DOTOQJQBSA-N 466.409 2.486 30 10 JEEE CN(Cc1csc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)[C@@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C 2268646160 SUOUQMNJSGANAB-CVEARBPZSA-N 466.409 2.376 30 10 JEEE Cc1cc(CN(C)C(=O)[C@@H](CO)CNC(=O)OC(C)(C)C)sc1B1OC(C)(C)C(C)(C)O1 2268723363 RQMJHMOADGYBCE-OAHLLOKOSA-N 468.425 2.447 30 10 JEEE Cc1c(C(=O)NC[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281795394 DZVMCMCFWVYJPN-HZPDHXFCSA-N 462.400 2.451 30 10 JEEE CC(C)(C)OC(=O)N1[C@H](CNC(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)C[C@H]2OCC[C@@H]21 2281831548 CXTHFPVJBNZXCF-YESZJQIVSA-N 462.352 2.476 30 10 JEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)Nc2ccc(CNC(=O)OC(C)(C)C)cc2)n1 2281952106 RWCPPYHGXRPVNB-UHFFFAOYSA-N 457.340 2.391 30 10 JEEE Cn1nc(C(=O)N[C@H]2CC[C@H]3C[C@H]2CN3C(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2281976193 YDHXUVMNLWEJGX-JYJNAYRXSA-N 460.384 2.237 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H]([S@](C)(=O)=NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2281986225 RAUTVTQFOVNFAQ-NQXFHFKASA-N 482.412 2.250 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H]2CN(C(=O)c3ncncc3B3OC(C)(C)C(C)(C)O3)C[C@@H]2C1 2282170945 DITAXUDEHICLKL-CVEARBPZSA-N 458.368 2.105 30 10 JEEE CC1(C)OB(c2sccc2CS(=O)(=O)NC[C@H]2CCCN(C(=O)C(F)(F)F)C2)OC1(C)C 2282415621 KDGDYRUEORLQBM-CYBMUJFWSA-N 496.382 2.268 30 10 JEEE C[C@@H](CNC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1)N1CCN(C(=O)OC(C)(C)C)CC1 2282528395 RDLLCVCFAHQMBN-HNNXBMFYSA-N 480.440 2.113 30 10 JEEE Cn1cc(C(=O)N2CC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2282577172 AZDXUJRIQLRCGF-QHCPKHFHSA-N 460.384 2.192 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1(CO)CCN(C(=O)OC(C)(C)C)CC1 2282596138 AEGOLJBSFJMQDL-UHFFFAOYSA-N 481.424 2.243 30 10 JEEE Cn1nc(C(=O)NC[C@H]2CCCN(C(=O)OC(C)(C)C)CC2)cc1B1OC(C)(C)C(C)(C)O1 2282629334 UMWPIDGGOINOQT-INIZCTEOSA-N 462.400 2.486 30 10 JEEE CN(C(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1)[C@]1(CNC(=O)OC(C)(C)C)CCOC1 2282670343 GMNFVWLWGFOFRO-QHCPKHFHSA-N 461.368 2.137 30 10 JEEE CN(C[C@H](O)COCc1ccccc1)S(=O)(=O)Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2282875147 LGDFQAQDCMWVNA-QFIPXVFZSA-N 475.416 2.325 30 10 JEEE CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H]1CCC=C1B1OC(C)(C)C(C)(C)O1 2283946996 UZDMTUKWYADEKB-AEFFLSMTSA-N 465.400 2.488 30 10 JEEE COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1NC(=O)[C@H]1C[C@H](O)CN1C(=O)OC(C)(C)C 2283949349 YADSATWXASHARG-DOTOQJQBSA-N 462.352 2.303 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@](O)(CC(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2284019573 ACOUNOKUWXEMBV-QHCPKHFHSA-N 461.368 2.471 30 10 JEEE CN(Cc1ccccc1B1OC(C)(C)C(C)(C)O1)C(=O)C1(O)CC(NC(=O)OC(C)(C)C)C1 2284132156 CDKXRYZDOAKXDT-UHFFFAOYSA-N 460.380 2.362 30 10 JEEE CC(C)(C)OC(=O)N1Cc2nccn2C[C@H](C(=O)NCCC#CB2OC(C)(C)C(C)(C)O2)C1 2287047196 SMGXCLXYHACTRT-KRWDZBQOSA-N 458.368 2.391 30 10 JEEE Cc1nn(C)c(C(=O)N2C[C@@H]3C[C@]3(CNC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2288252472 NTWLIJZZRPXGCA-WNSKOXEYSA-N 460.384 2.015 30 10 JEEE CN(C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CN(C(=O)OC(C)(C)C)CC1(C)C 2289940135 QFTNSBOCRYAXEU-MRXNPFEDSA-N 460.384 2.493 30 10 JEEE CN[C@H](C#Cc1cccc(Br)c1)[C@]1(NC(=O)OC(C)(C)C)CCS(=O)(=O)C1 2296220517 YVROELDZESVXIR-APWZRJJASA-N 457.390 2.471 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H]1NC(=O)c1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1O 2339416154 SFQBTJKMROAUGO-WBMJQRKESA-N 450.316 2.474 30 10 JEEE Cc1ccc(NC(=O)[C@@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2360528002 PAGXJUDVIFGWIJ-QGZVFWFLSA-N 482.408 2.171 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](CNC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C2(CC2)C1 2361528101 SNGZUHBFVOPVTM-HNNXBMFYSA-N 458.368 2.153 30 10 JEEE COc1ccc(C(=O)NC[C@H](CNC(=O)OC(C)(C)C)OC)c(B2OC(C)(C)C(C)(C)O2)c1 2365423161 CRTDUNPYPKCAJM-MRXNPFEDSA-N 464.368 2.264 30 10 JEEE COc1ccc(NC(=O)CSc2nnc(N/N=C/c3ccc([N+](=O)[O-])cc3)n2N)c(OC)c1 20292034 CUOKLYKHNVRHQF-UFFVCSGVSA-N 472.487 2.094 30 10 JEEE CCCSc1nnc(NC(=O)CSc2n[nH]c(N/N=C/c3cnn(CCOC)c3)n2)s1 59886979 IIGVLWIWRRLMLM-REZTVBANSA-N 482.621 2.178 30 10 JEEE N#Cc1ccc(C(=O)N2CCN(C(=O)c3nnn4c3CO[C@@H](c3ccc(F)cc3)C4)CC2)cc1 97137764 RFFMJVPDWWJDHX-OAQYLSRUSA-N 460.469 2.159 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](N(C)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 204866590 YTIOHAGRLOMMEZ-FUHWJXTLSA-N 489.426 2.116 30 10 JEEE CCOc1cc(C=N/N=C(\N)c2nonc2N)ccc1OC(=O)c1ccc([N+](=O)[O-])c(C)c1 254819389 JXJMOQBFTZBUHR-UHFFFAOYSA-N 453.415 2.226 30 10 JEEE C=CCn1nc(C)c(C=NNc2nnc(SCC(=O)N[C@H](C)c3ccccc3)n2N)c1C 1084118311 GVAZNILYKPKZRF-CQSZACIVSA-N 453.576 2.407 30 10 JEEE C=CCn1c(SCC(=O)N2C[C@H](O)C[C@@H](C(=O)OC)C2)nnc1-c1ccc(Cl)cc1 1144923750 VLCUZMGLJPBGAQ-GDBMZVCRSA-N 450.948 2.259 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC1([S@](C)=O)CC1 1286288586 HZDIPVQCLMJSHC-KNTRGWTASA-N 452.584 2.434 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccc(O)cc1)[C@H]1CCS(=O)(=O)C1 1286381974 INQVGTSZOHQIQT-INIZCTEOSA-N 490.383 2.416 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1CC(C)(C)OC)[C@@H]1CCS(=O)(=O)C1 1286383418 MMRLBVRGGLBEIU-OAHLLOKOSA-N 484.420 2.098 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CC1(C)COC1)[C@H]1CCS(=O)(=O)C1 1286387492 FOMOCSQYHNFPPV-IBGZPJMESA-N 488.610 2.404 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1Cc1ccc(OC)nc1)[C@H]1CCS(=O)(=O)C1 1286392174 GGQGAKIAWWHZDG-FQEVSTJZSA-N 469.542 2.087 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccc(NC(=O)CCC)cc1)[C@@H]1CCS(=O)(=O)C1 1286394635 OYOFUIUPUSTEOS-TZIWHRDSSA-N 485.610 2.196 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCc1cnn(C)c1 1286414740 AJQYWQUGEVNWFM-BGYRXZFFSA-N 451.575 2.488 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1286458465 VJGIIIPMEWDBFD-DRGFOCDESA-N 478.528 2.477 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccccc3Br)n2CC2([S@@](C)=O)CC2)CC1 1286475704 HCYGLOTUQTZWGW-MUUNZHRXSA-N 462.417 2.374 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCN(C)Cc2ccccc2)CC1 1286489866 GRLFWAIKDIAUEE-UHFFFAOYSA-N 457.582 2.438 30 10 JEEE C=C(C)COCCn1c(N2C[C@H](OC)[C@H](OC)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1286614128 LRISBUVZYCWSPH-QGFMHUBQSA-N 465.595 2.492 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1286778743 AACOQUYBYISJEY-SJLPKXTDSA-N 474.993 2.268 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1286823174 LLFHZXMZBVKZOB-XXBNENTESA-N 476.599 2.151 30 10 JEEE CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCCC(C)(C)C2)CCO1 1286941237 HYEIQVGZUJAZCP-JOCHJYFZSA-N 465.602 2.280 30 10 JEEE C[C@@H]1SCCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCS(=O)(=O)CC2)[C@H]1C 1291326958 CPQVHPOHEWNTGW-HOTGVXAUSA-N 461.613 2.087 30 10 JEEE CCO[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2Cc2cccc(OCCN(C)C)c2)CCOC1 1296605307 HGQRLEOYJMYVAH-BJKOFHAPSA-N 472.565 2.361 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(N(C)C)CCC1 1300537211 BAVQTTDZPCFNAP-IBGZPJMESA-N 456.591 2.144 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1CC1(S(C)(=O)=O)CCCC1 1300537337 DZVLQYOCJPHDNR-FQEVSTJZSA-N 454.552 2.221 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H](C(C)C)N1CCOCC1 1300665249 JTWHAKNOQISXMI-HXUWFJFHSA-N 455.559 2.117 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@]2(O)CCO[C@@H]2C)CC1 1300682810 KARZGJPNYNOUHS-YZZKKUAISA-N 459.978 2.367 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCCCCO)CC1 1300719767 PJCOKQUJCYHFDU-UHFFFAOYSA-N 461.570 2.259 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccccc2OC(C)C)CC1 1300729130 NTKPQXYPCHWEJP-UHFFFAOYSA-N 478.597 2.202 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@](O)(c2ccccc2F)C1 1300844291 KVEBRBDDFXGLJF-HNAYVOBHSA-N 450.312 2.375 30 10 JEEE COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)N2CCCCC2)CC1 1300881855 CWDWRDURGWPKEF-UHFFFAOYSA-N 465.602 2.376 30 10 JEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC([C@@H]2CCCO2)CC1 1301187787 BXWBMLHDVKLBKD-PMACEKPBSA-N 467.636 2.363 30 10 JEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)C[C@H]1COc2ccccc2O1 1301223298 QZBLVBJWQLTKFM-GHTZIAJQSA-N 491.614 2.244 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1([S@](C)=O)CC1 1301339253 KJJGPQNGAVJTSS-KKIUXKEOSA-N 473.624 2.156 30 10 JEEE C=CCNC(=O)Cn1c(N2CCc3cc(OC)c(OC)cc3C2)nnc1[C@]1(OC(C)C)CCOC1 1301517742 BMGNKFWALVUOGA-VWLOTQADSA-N 485.585 2.201 30 10 JEEE C=CCOc1ccccc1Cn1c(COCC)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1301531315 IXSSPTSHHWZWHH-NRFANRHFSA-N 455.559 2.255 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2Cc2ccc(OC)nc2)C1 1301543196 IWPRGLHGXPWTPD-HXUWFJFHSA-N 498.609 2.429 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(Cc2ccccc2)CC1 1358890848 WIBSGASUQNGWLN-AZUAARDMSA-N 457.600 2.092 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCCn1nc(C)cc1C)[C@@H]1CCS(=O)(=O)C1 1358962955 ZQBRAACXWYQNPY-HXUWFJFHSA-N 467.599 2.179 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C 1358973924 KOSJTQSMTZBGES-IBGZPJMESA-N 489.584 2.497 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H]2CCCO2)CC1 1359041809 JIZMKJBLCUEGLS-QGZVFWFLSA-N 475.391 2.191 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CCC(=O)NCc2ccccc2)CC1 1359045809 UQLFGVRKRISIKF-UHFFFAOYSA-N 450.587 2.149 30 10 JEEE C#CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@]2(CCOC2)C1 1359050486 RZPJUXFEHPSGIW-LJQANCHMSA-N 466.405 2.408 30 10 JEEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(Cc2c(CC)nn(C)c2Cl)CC1 1359055282 YXFCMELGOQFPHJ-UHFFFAOYSA-N 488.065 2.317 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(NS(C)(=O)=O)CC1 1359094251 YVNBVROYRLXXGN-XLIONFOSSA-N 490.586 2.353 30 10 JEEE C=CCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1359223812 WQXIQLBCVSQOMC-DEOSSOPVSA-N 489.642 2.242 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCOC[C@H]1C 1359271880 GCAZDINQDJVOJA-UXHICEINSA-N 476.622 2.486 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCc2cc(OCC(C)(C)F)ccc2C1 1359291488 RTATWBVFUURJOX-UHFFFAOYSA-N 472.565 2.408 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CC[C@H](CN2CCOCC2)C1 1359327884 NIGGIEZAEWOIJB-GOSISDBHSA-N 480.034 2.358 30 10 JEEE CC(=O)NC[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@](C)(O)C(C)C)C1 1359438551 COIIASLBPBIZLP-HYBUGGRVSA-N 454.575 2.488 30 10 JEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](CC)[C@@H](c2ccc(C)cc2)n2cncn2)cc1 1446277976 NAEFGIREBPNABK-FGZHOGPDSA-N 451.552 2.296 30 10 JEEE C#CCCCn1c(-c2ccc(Br)s2)nnc1N1CCN(CC(=O)N(C)C)CC1 1507577925 STNJTJGSUNYCIB-UHFFFAOYSA-N 465.421 2.393 30 10 JEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C 1507672960 KHKGFUWLENWSJI-IBGZPJMESA-N 456.591 2.413 30 10 JEEE C#CCN1CCN(c2nnc(-c3nn(C(C)C)c(=O)c4ccccc34)n2CCC(C)(C)O)CC1 1507723570 NCIMZRQCUWVPFI-UHFFFAOYSA-N 463.586 2.152 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC2(O)CCN(C(C)C)CC2)CC1 1507733409 XUCBYYRPDOVTTM-FGZHOGPDSA-N 472.678 2.187 30 10 JEEE C#CCSCCn1c(CC2CC2)nnc1N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 1507754618 FMMPUOJYCNXQOZ-LJQANCHMSA-N 451.662 2.428 30 10 JEEE C=CCN(CC=C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCc1n[nH]c(C)n1 1508015490 YHKKRXFTCWWFAU-UHFFFAOYSA-N 455.592 2.394 30 10 JEEE C=CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1508051738 XNUWHTWJOLKALZ-GOSISDBHSA-N 454.575 2.281 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCC[C@H](C(=O)NC)C1 1508073806 PHEGBTTUGASVOW-ZDUSSCGKSA-N 479.354 2.111 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@H](c3nnc(C)o3)C2)cc1 1508096667 IROWVRPZQOCKTK-IBGZPJMESA-N 467.530 2.299 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1508098251 NXUSANGPWCCNER-NLWGTHIKSA-N 461.607 2.273 30 10 JEEE CCN1CCN(CCCn2c(COc3ccccc3F)nnc2N2CC[C@](F)(C#N)C2)CC1 1515946681 HTHDKJGRQKKFTJ-QHCPKHFHSA-N 459.545 2.466 30 10 JEEE CN(C)C(=O)c1cccc(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@@](C)(C#N)C2)c1 1516948608 GQUBQQOROBTGAY-RDPSFJRHSA-N 484.626 2.255 30 10 JEEE C=CCCO[C@H](C)C(=O)N1CCN(CCS(=O)(=O)c2ccc(Br)cc2)CC1 1521963082 YVKSQHOCLFUQOL-MRXNPFEDSA-N 459.406 2.348 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1539029300 HECUUDRNBKZCRR-MSOLQXFVSA-N 479.610 2.396 30 10 JEEE C#CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1539117104 STLFOBMLCSMMIW-QGZVFWFLSA-N 484.582 2.037 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(CC)s1)[C@H]1CCS(=O)(=O)C1 1539202845 LPPZUYDZDHPMCT-INIZCTEOSA-N 484.607 2.224 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1CC1(N(C)C)CCC1)[C@@H]1CCS(=O)(=O)C1 1539211286 KXZSFYSLPPJYER-GOSISDBHSA-N 457.600 2.065 30 10 JEEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(CN2CCC(O)CC2)cc1 1539340552 PEVLPWPXJWCGAA-UHFFFAOYSA-N 473.581 2.390 30 10 JEEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1nc(C)cs1 1539416888 UKFNGKAOQMPUSN-UHFFFAOYSA-N 452.588 2.351 30 10 JEEE C=C(Br)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@H](C(=O)NC)C1 1539594185 GWNGYTORMRJWSD-ZDUSSCGKSA-N 472.347 2.465 30 10 JEEE C=C(C)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC(C(=O)NCCOC)CC1 1539686433 VNCZTCLGDUXEKS-UHFFFAOYSA-N 489.646 2.102 30 10 JEEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(=O)c2cccc(C)c2)CC1 1539705130 PRWLKNKLBVHRLO-HXUWFJFHSA-N 457.600 2.417 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ccc(F)cc2C)CC1 1539849115 UXWZVYOQSDMQBG-HXUWFJFHSA-N 463.579 2.458 30 10 JEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(F)cc2)CC1 1540035897 IGYRZWQAWIXYTA-SFHVURJKSA-N 463.579 2.239 30 10 JEEE C=CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(CCCOCC(F)(F)F)CC1 1540856113 STNCIHYHKQSHSE-UHFFFAOYSA-N 477.495 2.198 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H](C)CCSC 1540871564 OIAFEJSPJBNUNE-IRXDYDNUSA-N 482.651 2.467 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCN(C(C)=O)CC1 1540898564 NRMDIOKYZLQSLM-UHFFFAOYSA-N 468.583 2.071 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1540905549 XAYJARYCRGPMEO-OAQYLSRUSA-N 491.633 2.157 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCc3ccc(O)cc3C2)nnc1[C@]1(OC(C)C)CCOC1 1540909080 WYPGVBIXNZIYJQ-QHCPKHFHSA-N 476.599 2.188 30 10 JEEE CCCCN(C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2C#N)CC1 1547005619 BCVQKFHTMWKVEH-NRFANRHFSA-N 485.658 2.110 30 10 JEEE CCCCN1CCCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)C1 1547043129 DDLSMFMTGZZMDA-FQEVSTJZSA-N 451.575 2.320 30 10 JEEE CCCNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1547239246 FQNFZKUUGALHTQ-JOCHJYFZSA-N 476.585 2.452 30 10 JEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2ccccc2F)C1 1587765686 JAMWOYKPAOOOMV-RTWAWAEBSA-N 491.589 2.132 30 10 JEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cn2ccsc2n1 1587989628 LILISFREYHWQMO-INIZCTEOSA-N 457.560 2.413 30 10 JEEE C#CCN(c1nnc([C@@H](C)CC)n1CCNC(=O)c1ccc(C)c(F)c1)[C@H]1CCS(=O)(=O)C1 1588030034 OITSJPQNBXPRHB-LPHOPBHVSA-N 475.590 2.296 30 10 JEEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(OC)CCCCC1)[C@H]1CCS(=O)(=O)C1 1588035864 YMLRBNZAJGOETR-GBXCKJPGSA-N 494.658 2.295 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H]1CCC=CO1)[C@H]1CCS(=O)(=O)C1 1588040488 NQWLQRMEPMDMBR-HKUYNNGSSA-N 472.567 2.282 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H](c1cccs1)N(C)C)[C@H]1CCS(=O)(=O)C1 1588054195 LJCPAVKHHFTBQZ-CEXWTWQISA-N 477.656 2.163 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1CC1(COC)CCOCC1)[C@H]1CCS(=O)(=O)C1 1588064095 ACIRQPDBGMJFFL-IBGZPJMESA-N 478.640 2.000 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1ccccn1 1588139234 NVKZRZOHSQZQCY-FQEVSTJZSA-N 450.543 2.297 30 10 JEEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC[C@H]1CCCCO1 1588646085 GQWBQWRBBLLMMR-OAQYLSRUSA-N 453.591 2.497 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](CC)N1CCc2ccccc2C1 1588646103 GTKWTZZXBSQTNJ-DHIUTWEWSA-N 485.654 2.103 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(Cl)cc2F)CC1 1588923756 LGGIJNZVEOGIJK-GOSISDBHSA-N 458.925 2.036 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)CC)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1589492990 FDTREAHNWHREOE-GGPKGHCWSA-N 478.619 2.413 30 10 JEEE C=C(C)CN(CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@]1(O)CCN(C)C1 1589676336 QRQGDESDVHQYJL-AREMUKBSSA-N 467.662 2.112 30 10 JEEE C=C(C)Cn1c(COc2ccc(C)cc2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1593671816 SABPDNLILUGONT-UHFFFAOYSA-N 472.571 2.382 30 10 JEEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1593885136 LIVIDAMEQLXZJZ-KKUMJFAQSA-N 469.926 2.453 30 10 JEEE C=CCC(C)(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN2CCOC[C@@H]2C1 1594461400 RGWSIFROACXZKW-IBGZPJMESA-N 459.616 2.472 30 10 JEEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1594669315 WECVIPTYBFCBEP-NRFANRHFSA-N 474.569 2.240 30 10 JEEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 1594783893 LHZNRJAPKNDJGM-UHFFFAOYSA-N 458.538 2.111 30 10 JEEE C=CCCOCCn1c(-c2ccccc2C)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1594798265 PKSRRHPAGUEDKG-SFHVURJKSA-N 450.547 2.378 30 10 JEEE CO[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1)C(C)(C)C 1618977857 BESVZODYLYUZHH-HXUWFJFHSA-N 462.558 2.465 30 10 JEEE C#CCN(CC(=O)N1C[C@H](NC(=O)C(F)(F)F)CC[C@H]1C(F)(F)F)C(=O)OC(C)(C)C 1631073861 FZVKUEHAINUFRN-NEPJUHHUSA-N 459.387 2.457 30 10 JEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2C[C@@H](OCC)[C@H](CNC(=O)OC(C)(C)C)C2)c1 1644490575 DNGHSVQJYFOIQA-UYAOXDASSA-N 464.584 2.485 30 10 JEEE C#CCN(C(=O)c1cc(NS(C)(=O)=O)ccc1O)C1CCN(C(=O)OC(C)(C)C)CC1 1645454300 FCPMXNGSWFGSEX-UHFFFAOYSA-N 451.545 2.239 30 10 JEEE C#Cc1ccc(NC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccccc2)c(Cl)c1 1648155470 IAPCOUFOLPQZMQ-GOSISDBHSA-N 454.957 2.042 30 10 JEEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)c1 1668096695 KUEZQVRARIKMLP-AWEZNQCLSA-N 451.907 2.479 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2C[C@@H]2CCCS(=O)(=O)C2)c1 1689870161 DIRULJIBKBHQHB-IBGZPJMESA-N 480.594 2.165 30 10 JEEE C#CCN(C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1689955634 OIRDVUIBMUKKQB-GOSISDBHSA-N 453.465 2.295 30 10 JEEE C#CCN(c1nnc(CCOc2ccccc2)n1CCc1ccncc1)[C@@H]1CCS(=O)(=O)C1 1689994008 PDGSRGOTJKDDSS-OAQYLSRUSA-N 465.579 2.164 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCCOC(C)C)[C@H]1CCS(=O)(=O)C1 1689994036 PRIHVNXCWOMBEU-SFHVURJKSA-N 451.618 2.076 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC(=O)N1CCCCC1 1690091208 LRNSYFRNAHYWSM-HXUWFJFHSA-N 487.601 2.362 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCC(=O)N3)n2Cc2cccc(Cl)c2)n1 1690109623 YFAQWOPDZSCZHD-HXUWFJFHSA-N 467.961 2.414 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 1690175586 ZYJBXNFBOHJFDT-SJLPKXTDSA-N 496.680 2.148 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCN(C)c1ccccc1 1690206426 QUAYRVLKUGQVCL-XUZZJYLKSA-N 486.642 2.130 30 10 JEEE C=C(Cl)Cn1c(COc2cc(C)ccc2C)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1690352989 WFYWXMKPZNHFNX-UHFFFAOYSA-N 474.993 2.400 30 10 JEEE C=CC[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](C(=O)NC)C1)c1ccccc1 1690442456 TUQFIBWAVXNZNP-PMACEKPBSA-N 475.553 2.237 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1690666986 NFRCITDSYMJUBU-MRXNPFEDSA-N 475.391 2.314 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](C)S[C@H](C)C1 1690672624 XWBYIGNNUOQNDD-ZACQAIPSSA-N 480.635 2.219 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](c2ccc(CC)cc2)C1 1690714623 QCYMIVFZUWJXPG-NRFANRHFSA-N 487.626 2.255 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3ccccc3n2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1690719252 IZFXGLMVKVLIQO-IAGOWNOFSA-N 491.639 2.352 30 10 JEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1690746776 JOWARGLKRWDQMK-INIZCTEOSA-N 483.063 2.474 30 10 JEEE COCCN(CCC#N)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@H]1CCS(=O)(=O)C1 1698058301 DOFNTHRVJXBMFI-QGZVFWFLSA-N 469.571 2.136 30 10 JEEE C#CCCCCn1c(Cc2ccccc2F)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1705518105 GLXCTKUMSYVIIF-UHFFFAOYSA-N 486.573 2.452 30 10 JEEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCN(C)[C@@H]1c1cccs1 1705604573 OVTSDGKJTVZOHP-SCTDSRPQSA-N 464.661 2.492 30 10 JEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 1705664281 MACAGMXMVNCURY-UHFFFAOYSA-N 470.599 2.067 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CC[C@](O)(c2ccc(F)cc2)C1 1705931841 CGOIIHGLKUGPDU-JOCHJYFZSA-N 459.547 2.121 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Br)nnc1N1CC[C@]2(CCC(=O)N2)C1 1705932852 LVHZEKAXNCVIHT-HXUWFJFHSA-N 494.415 2.167 30 10 JEEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2ccc(OC(F)F)c(F)c2)CCOC1 1710482435 FRBDIHFKCWRNPV-YCRPNKLZSA-N 467.448 2.448 30 10 JEEE COc1ccc([C@H](C)CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@H](C)C#N)cc1 1711721028 CMFRYKHACXLBKF-OPYAIIAOSA-N 490.630 2.409 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1ccccc1COCC)[C@H]1CCS(=O)(=O)C1 1722364976 JTELHOOLDZAWLT-QHCPKHFHSA-N 479.606 2.475 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCCN1CCCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1722372272 SQXJTRYHOIVVGJ-RBBKRZOGSA-N 487.674 2.031 30 10 JEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCOC(F)F 1722376160 LJQSOGBERGOWFP-UHFFFAOYSA-N 450.515 2.249 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccc(Cl)cc2Cl)n1CCS(=O)(=O)N(C)C 1722385879 NHSGSLFYALFYOQ-UHFFFAOYSA-N 470.382 2.128 30 10 JEEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@H]1CCOC[C@@H]1C 1722386259 YYKCMZGEFMZGPZ-BJKOFHAPSA-N 460.626 2.388 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H](N1CCOCC1)C(F)(F)F 1722423471 DFOOPYKMXJYMEP-FQEVSTJZSA-N 495.502 2.065 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccccc2Br)n1CCN/C(O)=C1/N=CC=CC1=O 1722424416 MAFSVFAGFSMNCS-VZCXRCSSSA-N 499.369 2.320 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2cnn(CC)c2)CC1 1722451025 WANJPGYJWFKVMP-NHCUHLMSSA-N 467.618 2.427 30 10 JEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCCN(C(=O)c2ccccc2)CC1 1722452951 MMICPXJQFLXVNB-UHFFFAOYSA-N 454.600 2.135 30 10 JEEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 1722477239 RJYGOXNCNGEMIE-UHFFFAOYSA-N 467.328 2.271 30 10 JEEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N(CCNC(C)=O)Cc1ccsc1 1722483133 GITIXWKDTLGSSN-OAHLLOKOSA-N 467.393 2.342 30 10 JEEE C=CCCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1722617242 HFXXBRMDPXUKEF-UHFFFAOYSA-N 454.550 2.245 30 10 JEEE C=CCCOCCn1c(-c2cc(Br)cn2C)nnc1N1CC(=O)N(C)[C@@H](C)C1 1722622998 XJYZMLKLHRHORD-AWEZNQCLSA-N 451.369 2.306 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1cc(C(F)(F)F)ccn1 1722681618 OLSJERLLXQDKNB-OAHLLOKOSA-N 473.521 2.476 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@](F)(C#N)C1 1722723696 CITVCJNVDJHSCX-QGZVFWFLSA-N 471.356 2.089 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1722723994 KIYHTVCLTNXHGO-HNNXBMFYSA-N 483.541 2.204 30 10 JEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](CN(CC)CC(F)(F)F)C1 1740592215 SZACMCPVKILULB-IRXDYDNUSA-N 461.554 2.304 30 10 JEEE C#CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1CCN1CCN(C(C)=O)CC1 1740605286 UFVMZIYQCVGFEN-UHFFFAOYSA-N 459.392 2.250 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1CCC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1740618402 HAAXDYLVDCHBQT-FQEVSTJZSA-N 488.610 2.406 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1CCC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1740619374 NSZFONSDPDWDKH-QGZVFWFLSA-N 480.537 2.478 30 10 JEEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1[C@H]1CCC[C@H](C(F)(F)F)C1 1740680027 PLHSTMLTRMBBQD-KKUMJFAQSA-N 451.515 2.268 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H](c2ccc(C)cc2)N(C)C)CC1 1740692670 NYLKSABAIRWALX-BVAGGSTKSA-N 466.630 2.297 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCc2ccccc2OC(F)F)CC1 1740700845 KKORIJIUGRAXJT-UHFFFAOYSA-N 488.539 2.226 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)c2ncc(C)s2)CC1 1740700980 PPRYNDPXVYXBLV-INIZCTEOSA-N 469.615 2.049 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2[C@@H]2C[C@@H]2C)CC1 1740706578 ZXBLKGZPSCTYCM-UHOSZYNNSA-N 472.590 2.133 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCOC2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1740762008 QMWMTJXNFCAFQG-HBFSDRIKSA-N 467.636 2.014 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(OCCCOC)CC1 1740762910 XBGREWDMMUUHOJ-ZJOUEHCJSA-N 482.647 2.183 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 1740960268 OLCXRSGBFOXZTN-MRXNPFEDSA-N 456.503 2.040 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1740960971 IBVOQGMIUGTLBX-HSZRJFAPSA-N 465.646 2.084 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1740975604 PRXHJQQWMVWZBE-XHEFNCKESA-N 459.510 2.124 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1740989858 ZJSVSEBSDOQNGH-GSHUGGBRSA-N 464.563 2.458 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2ccccc2F)CC1 1740994455 OJCLARGVSLRKNK-UHFFFAOYSA-N 487.605 2.206 30 10 JEEE CCS(=O)(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](OC)C2CC2)CC1 1747435345 HIWRSPVTHKGOAA-HXUWFJFHSA-N 458.588 2.150 30 10 JEEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1748698402 UTGLGLMIAMLNSS-UHFFFAOYSA-N 452.563 2.359 30 10 JEEE C#CCN(c1nnc(C(C)C)n1C[C@H](C)N(C)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1748802667 QWKSWVMMOMLNHD-DLBZAZTESA-N 453.609 2.284 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1ccnc(SC)c1)[C@H]1CCS(=O)(=O)C1 1748820080 YRPROIYEYKTEFZ-IBGZPJMESA-N 468.608 2.056 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2ccccc2F)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1748848301 ADBDHZIZZFWIMP-SFTDATJTSA-N 463.536 2.427 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](c2cccs2)N(C)C)CC1 1748972725 PDKNFKZHWASMSY-GOSISDBHSA-N 464.599 2.045 30 10 JEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)c2c(F)cccc2F)CC1 1749020554 XVBDCGOGLLWBQG-UHFFFAOYSA-N 488.564 2.121 30 10 JEEE C=C1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1749288019 KGEPAKCRPQNLPH-OAHLLOKOSA-N 483.436 2.484 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 1749721922 WOHQLAFSQOAHGN-QGZVFWFLSA-N 463.579 2.380 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCCN(C(C)C)CC1 1749725598 SPPHGLPAHWMICT-UHFFFAOYSA-N 477.631 2.484 30 10 JEEE CC(C)C(=O)NCCn1c(CCc2ccccc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1750572153 ADZRHQREBRNVLA-HXUWFJFHSA-N 487.612 2.212 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1ccc(C)nc1)[C@@H]1CCS(=O)(=O)C1 1760182195 BXRRTYMHFUEWOW-HXUWFJFHSA-N 466.523 2.232 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H](C)Oc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1760193017 REARFYQCJALCQM-IMFGXOCKSA-N 462.547 2.363 30 10 JEEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1Cc1cccc(NC(=O)[C@H]2CCCO2)c1 1760197062 WAUREXRXLVNZPQ-GJZUVCINSA-N 477.565 2.169 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(Br)cs1 1760206137 RKGQMSQPIJRWFC-CYBMUJFWSA-N 453.387 2.125 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CCC(=O)N1CCCCCC1 1760248365 JYLIBSLPRSNENI-UHFFFAOYSA-N 477.569 2.473 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2CC2=CCCOC2)CC1 1760270125 LRXQJURIRZVCHU-UHFFFAOYSA-N 455.509 2.460 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)CCNS(C)(=O)=O 1760321045 AYBNLLPSTGWYKJ-XLIONFOSSA-N 468.023 2.489 30 10 JEEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2c(F)cccc2F)CC1 1760449620 OXVSALVKZIIFTI-GOSISDBHSA-N 474.512 2.063 30 10 JEEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCCCS1(=O)=O 1760463657 LFTBOWQCCRXUFF-DLBZAZTESA-N 469.608 2.176 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(F)cccc1Cl 1760505011 IIHAXYBYLJHNBJ-GOSISDBHSA-N 487.985 2.091 30 10 JEEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](Nc2cc(OC)cc(OC)c2)C1 1760506778 MMNHBYMTKORPOT-JKSUJKDBSA-N 464.592 2.172 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 1760525377 CSRWQCCFYXLDLG-UHFFFAOYSA-N 499.685 2.050 30 10 JEEE C=CCOc1ccccc1Cn1c(CC)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1760532909 IYPNYDCPWFSMOR-UHFFFAOYSA-N 480.613 2.394 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2nccc(C(F)(F)F)n2)C1 1760542933 OOYMORRVMSTKQO-KBPBESRZSA-N 451.453 2.062 30 10 JEEE COc1ccccc1OCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC(C)(C)O 1768977739 CUJGAJNHYCQHSG-UHFFFAOYSA-N 463.542 2.230 30 10 JEEE COCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1769184350 BKXLWBVTVFOHOQ-NRFANRHFSA-N 486.642 2.047 30 10 JEEE COc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCNC(C)=O)c1 1862606601 VTFGHINXADWZKM-OAQYLSRUSA-N 452.463 2.181 30 10 JEEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc2c(c1)OCCO2 1862755849 GBQJNGLCNUVOMP-FQEVSTJZSA-N 467.434 2.080 30 10 JEEE C=CCn1c(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc2c(N3CCC[C@H](C)C3)ncnc21 1873595510 GNCGTCVBABNBAE-KRWDZBQOSA-N 482.610 2.474 30 10 JEEE COc1ccc(OC)c(/C=N/n2c(SCC(N)=O)nnc2[C@@H]2CC(=O)N(Cc3ccccc3)C2)c1 1874210007 JDNAPIQFLVRRLA-ROJKJRQJSA-N 494.577 2.271 30 10 JEEE CN1CCN(CC#CCOC2CCN(C(=O)c3cnc4ncc(Br)cc4c3)CC2)CC1 1889572856 NKOZXUAERIEGOH-UHFFFAOYSA-N 486.414 2.264 30 10 JEEE Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CCC(=O)N1CCC(COc2cc(C#N)ccn2)CC1 1891391769 BWDJFYFZXSCHCO-OAQYLSRUSA-N 485.610 2.376 30 10 JEEE C[C@@H](C(=O)NC1CC(B2OC(C)(C)C(C)(C)O2)C1)N1CCN(C(=O)OC(C)(C)C)CC1=O 2124543381 QRRRUMBOFJJWLV-FHERZECASA-N 451.373 2.195 30 10 JEEE C[C@H](CNC(=O)OC(C)(C)C)CNS(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2255754090 YWHJQJFKBIJHRY-OAHLLOKOSA-N 454.398 2.425 30 10 JEEE CC(C)(C)OC(=O)N1CC([S@@](C)(=O)=NC(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)C1 2255811897 SZQJSMVLPIVDIZ-WJOKGBTCSA-N 471.410 2.300 30 10 JEEE Cc1csc(CNC(=O)[C@H](O)[C@@H](C)NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2256624625 OFXJYFUJWWOFKK-CZUORRHYSA-N 454.398 2.246 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)NCc2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2256741016 DFBJZMYGEKDSRK-NRFANRHFSA-N 452.382 2.035 30 10 JEEE Cc1c(C(=O)NC[C@H](NC(=O)OC(C)(C)C)C(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2266990729 VWICIEIHRZOQAI-HNNXBMFYSA-N 450.389 2.307 30 10 JEEE Cn1nc(C(=O)N[C@@H]2CC[C@H]2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2267197421 KTJASFGDWKZSOF-QWHCGFSZSA-N 468.791 2.406 30 10 JEEE Cn1[nH]c(=NC(=O)OC(C)(C)C)cc1C(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)cs1 2268613794 YVJZMLZDNJFVTI-UHFFFAOYSA-N 462.381 2.480 30 10 JEEE COC[C@@H](ONC(=O)OC(C)(C)C)C(=O)NCc1ccccc1B1OC(C)(C)C(C)(C)O1 2268630441 KPKJJLLYXVFEPC-QGZVFWFLSA-N 450.341 2.073 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1[C@H]2C[C@@H](CN(c3cc(B4OC(C)(C)C(C)(C)O4)ccn3)C2)[C@@H]1CO 2280767803 IJTZCLUHJOPDSZ-DUPRYPCISA-N 459.396 2.339 30 10 JEEE CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2B2OC(C)(C)C(C)(C)O2)C1 2281930028 HGTILVNETRRXMZ-ZACQAIPSSA-N 465.400 2.348 30 10 JEEE Cc1c(C(=O)NC[C@H]2[C@@H](C)CCN2C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281992010 IHBKPBSXLPCAGT-HOCLYGCPSA-N 462.400 2.403 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C23CC3)n1 2281997242 ZEVSVXWDDOKVAT-MRXNPFEDSA-N 460.384 2.474 30 10 JEEE CC(C)(C)OC(=O)NCCN1CCC(NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)CC1 2282195232 KFXQZUBXFGTHDE-UHFFFAOYSA-N 463.384 2.298 30 10 JEEE CC1(C)OB(c2ccccc2S(=O)(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)OC1(C)C 2282348983 SEHXVWYRYDDOIN-FQEVSTJZSA-N 467.400 2.384 30 10 JEEE CC(C)(C)OC(=O)NC1[C@H]2CN(S(=O)(=O)c3ccc(F)cc3B3OC(C)(C)C(C)(C)O3)C[C@H]12 2282501889 CWCDIUVZHKJSKW-GJZGRUSLSA-N 482.383 2.269 30 10 JEEE C[C@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)C[C@]1(C)CNC(=O)OC(C)(C)C 2282532685 ASXAVUWLYDZPLN-WNSKOXEYSA-N 462.400 2.342 30 10 JEEE Cc1c(C(=O)NC2(C3CN(C(=O)OC(C)(C)C)C3)CC2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282593024 LESHUEUCPIGUND-UHFFFAOYSA-N 460.384 2.157 30 10 JEEE CC1(C)CN(C(=O)OC(C)(C)C)CCN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2282613275 KKKFFIPKZKFMMM-UHFFFAOYSA-N 460.384 2.495 30 10 JEEE Cn1nc(C(=O)N2CC[C@@H](C(C)(C)NC(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2282614562 JLEFAMWIQWZVCZ-OAHLLOKOSA-N 462.400 2.485 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@H]2CCN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)c[nH]3)C[C@H]21 2282647204 YTXKCEWKDUEWPB-MSOLQXFVSA-N 461.368 2.164 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1[C@@H]2CN(S(=O)(=O)c3ccc(F)c(B4OC(C)(C)C(C)(C)O4)c3)C[C@@H]21 2282842584 AIISKBCEQAZMNG-HWWDLCQESA-N 482.383 2.269 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H](C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1)[C@H]1CCOC1 2284062517 GOIBLLBGKNMPIR-DOTOQJQBSA-N 461.368 2.497 30 10 JEEE COc1cc(C(=O)N[C@@H](COCc2ccccc2)C(=O)O)ccc1B1OC(C)(C)C(C)(C)O1 2284473549 ZWOBMEPWTPQQBW-IBGZPJMESA-N 455.316 2.394 30 10 JEEE CCn1cc(C(=O)NC[C@H]2[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2359278043 QXCRKORFDOSJQI-UXLLHSPISA-N 460.384 2.187 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C 2362480177 FZGDOZFYEYOHPP-MRXNPFEDSA-N 462.400 2.405 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@]12CC[C@@H](C1)N(C(=O)OC(C)(C)C)C2 2363697129 IZUHGESSGNNZEJ-NPMXOYFQSA-N 460.384 2.239 30 10 JEEE C=C[C@]1(C)CC(=O)[C@]2(O)[C@](C)(O1)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1C(C)(C)CC[C@H](O)[C@@]12C 34089815 ZSBZMJGJWOYRBW-SUUCNCGRSA-N 452.544 2.091 30 10 JEEE biogenic COc1ccc(OC)c(NC(=O)CSc2nnc(N/N=C/c3ccccc3[N+](=O)[O-])n2N)c1 59884790 KSQSCKSSPFNMCR-UFFVCSGVSA-N 472.487 2.094 30 10 JEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)/C=C\c3ccc4c(c3)OCCCO4)CC2)cc1 97998719 OUADTRPLLFSICZ-UITAMQMPSA-N 453.520 2.266 30 10 JEEE C/C(=N\Nc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@@H](O)COc1ccc(C)cc1)c1ccccc1 107133390 LFVAFDYHHSQWJA-AXNZHVIBSA-N 462.510 2.008 30 10 JEEE COc1ccccc1N1CCN(CC(=O)NC2CCC(Oc3nccnc3C#N)CC2)C1=O 585356095 VSFGNWLYPKZDKK-UHFFFAOYSA-N 450.499 2.105 30 10 JEEE COc1cc2c(cc1OC)CN(S(=O)(=O)NC(=O)[C@H](Oc1ccccc1C#N)C(C)C)CC2 729906919 YCFRSTSXJSONQE-JOCHJYFZSA-N 473.551 2.398 30 10 JEEE C#CC[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 757537554 AXQZLDANZPVCGN-GOTSBHOMSA-N 472.501 2.452 30 10 JEEE CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)/C(=C(/C)NCC(=O)Nc3nccs3)C(=O)[C@]12C 1075949155 RLXGHRPRQUCCTH-WIJYMUHASA-N 483.502 2.253 30 10 JEEE NC(=O)CSc1n[nH]c(NN=Cc2cc(Br)c(O)c(Br)c2)n1 1084145524 ZIAFPECKBQINLR-UHFFFAOYSA-N 450.116 2.059 30 10 JEEE COc1cccc(NC(=O)CCSc2n[nH]c(NN=Cc3c(C)nn(CCO)c3C)n2)c1 1084558037 LHYMGWHGNZJNDY-UHFFFAOYSA-N 458.548 2.186 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1286276684 YJUNVXWEFQCQKC-CTNGQTDRSA-N 459.554 2.284 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@](C)(O)c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1286387943 XAVVCFKRXWAOBC-WMZHIEFXSA-N 469.542 2.014 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H](C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1286388478 PSVYXWKSKXMEDY-AEFFLSMTSA-N 496.008 2.085 30 10 JEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCNc1ccccn1 1286412496 BESHUIRWRFDJLA-UHFFFAOYSA-N 455.570 2.422 30 10 JEEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCNc1ncc(Cl)cc1Cl 1286454432 WZTKOIWKGRUGMO-LBPRGKRZSA-N 460.391 2.162 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2cc3c(cc2OC)C[C@H](C)O3)CC1 1286469724 KBMZJXCDHDBCIY-SFHVURJKSA-N 480.613 2.332 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@]2(O)CCC[C@H]2C)CC1 1286494760 QVGQXTJPQLSJGQ-WAIKUNEKSA-N 456.616 2.151 30 10 JEEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1286507493 JINBIUPEGBZTSA-GOSISDBHSA-N 459.583 2.007 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1286555920 MJUKCSNIRPPBAJ-BDXSIMOUSA-N 491.580 2.234 30 10 JEEE C=CC1CCN(c2nnc(-c3cccc(C)n3)n2CCS(=O)(=O)N2CCSCC2)CC1 1286660890 TWQGACAWXDJRMU-UHFFFAOYSA-N 462.645 2.430 30 10 JEEE C=CCN(CC=C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H]1CCN(S(C)(=O)=O)C1 1286755782 BPCZAVSHDOKLMU-INIZCTEOSA-N 469.571 2.054 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)CCCS(C)(=O)=O 1286782965 JDRJCKRNIZIVGN-UHFFFAOYSA-N 460.387 2.425 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(CCCN2CCOCC2)CC1 1286784670 PNRCJYFAZQBTRT-UHFFFAOYSA-N 477.613 2.448 30 10 JEEE C=CCOc1ccc(Cn2c(Cc3ccncc3)nnc2N2CCC(NS(C)(=O)=O)CC2)cc1 1286796577 NITMRTBZYCJFEW-UHFFFAOYSA-N 482.610 2.395 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCN2CCC[C@H]2C)C1 1286806667 ZMAUHSHVEQNGGW-CTNGQTDRSA-N 488.658 2.461 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCCN(Cc2ccc(OC)cc2)C(=O)C1 1286819755 UYZHGXPICVXHQR-UHFFFAOYSA-N 487.626 2.394 30 10 JEEE C[C@@H](Cn1c(COc2ccc(Br)cc2)nnc1N1CCO[C@@H](C#N)C1)N1CCOCC1 1288672654 AHAWRJGRPGXXJD-LPHOPBHVSA-N 491.390 2.069 30 10 JEEE C#CCN(c1nnc(-c2ccc(OCCC)c(OC)c2)n1C[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1300489396 NGNCPLZXYFZIDG-QUCCMNQESA-N 488.610 2.406 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C1CC1)N(C)Cc1ccccc1 1300537205 AZXIAJRFGTWAIA-GOTSBHOMSA-N 465.623 2.164 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1CCCS(=O)(=O)c1ccccc1 1300541058 LAYCWXOGGWQJEN-UHFFFAOYSA-N 472.574 2.453 30 10 JEEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1OCCC1(C)C 1300666052 SCMRNHJVKKOWAB-FQEVSTJZSA-N 453.591 2.353 30 10 JEEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCC1CCOCC1 1300666465 ZYOVWZPLASQWGL-UHFFFAOYSA-N 453.591 2.355 30 10 JEEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 1300928858 OCFLSFNXOIDXRH-HOTGVXAUSA-N 456.613 2.206 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCC[C@@H]1c1cnn(C)c1 1301519607 QAWGCOSVXILPQO-GOSISDBHSA-N 451.531 2.243 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)N2C[C@@H](C)O[C@H](C)C2)C1 1301535543 LUUXCGDXFDWNGN-VAMGGRTRSA-N 460.623 2.183 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(OC)CCC(C)CC2)C1 1301538882 LUHNJNNRWSFIRX-BKVYSMKUSA-N 455.625 2.265 30 10 JEEE CC[C@H](C)NC(=O)c1cccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@@H](C#N)C2)c1 1305622733 IDTTVDRTUMZMCK-PXNSSMCTSA-N 488.552 2.231 30 10 JEEE C=CCc1cc(CNC(=O)N2CCC(C(=O)OCC)([S@@](C)=O)CC2)cc(OC)c1OC 1311748298 OADWPZNUYWWYAN-WJOKGBTCSA-N 452.573 2.418 30 10 JEEE C#CCOc1ccc(CNC(=O)N2CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C2)cc1 1312736646 OMSOIDOBLUKWLV-IBGZPJMESA-N 458.559 2.261 30 10 JEEE COc1ccc(Br)c(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCn2cncn2)c1 1315361425 ANHJXJOKAAXRHA-SFHVURJKSA-N 461.299 2.450 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC(=O)N(C)CC)[C@H]1CCS(=O)(=O)C1 1358957169 QMDXRZBKGLHZTM-WMZOPIPTSA-N 494.017 2.177 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@H](C(CC)CC)N(C)C)CC1 1359043922 NVFTYEMHUFEKNW-OAQYLSRUSA-N 452.607 2.067 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CCCN2C[C@H](C)O[C@H](C)C2)CC1 1359045381 FKQAMLUNNMMDSZ-BGYRXZFFSA-N 458.651 2.332 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCCc3ccccc3)n2C[C@@H]2CCCCS2(=O)=O)CC1 1359046665 AWKOJUUXUQUNTR-QHCPKHFHSA-N 497.665 2.387 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@](C)(O)C2CCCCC2)CC1 1359048238 JQILFEUBORBISM-WDZJFXIESA-N 487.645 2.299 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](COC)O[C@H](C)C1 1359104473 BRZGHMPBHVDJFM-OFELHODLSA-N 450.580 2.223 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@]1(C)CN(C)C1=O 1359108486 QJNDVXWJLAJTOO-JOCHJYFZSA-N 460.604 2.076 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1C[C@@]1(O)CCSC1 1359255280 UCMSSMGEGDUPMS-QHCPKHFHSA-N 452.584 2.446 30 10 JEEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccn2)n1C[C@]1(O)CCS(=O)(=O)C1 1359263548 DQWRKBIPTKWPHZ-OAQYLSRUSA-N 459.597 2.068 30 10 JEEE C=CCn1c(N2CCN(CC(=O)N3CCCCCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1359290896 VIKXIRYEHDHKMT-XMMPIXPASA-N 460.623 2.029 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1359292911 AWAJMGYFIMJNSN-INIZCTEOSA-N 477.407 2.480 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCN(Cc2cn3ccccc3n2)CC1 1359326677 HUPQZCIBMCEFOQ-IBGZPJMESA-N 471.631 2.362 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 1359326729 IRMCMVHTVTUQBB-GOSISDBHSA-N 459.616 2.416 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1359333773 JLUPQEPIZGDHOV-GOSISDBHSA-N 471.587 2.015 30 10 JEEE C=CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(CNS(C)(=O)=O)CC1 1359339636 MSIAGXVTDNBCBZ-UHFFFAOYSA-N 479.628 2.359 30 10 JEEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccc1C 1359342714 DFUYHTLEBGSPCU-IBGZPJMESA-N 465.645 2.475 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H]2CC(=O)N([C@H]3C[C@H]3c3ccccc3)C2)ccc1F 1361186595 XYJLCRKHUMEVCY-HBFSDRIKSA-N 457.527 2.177 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)Nc3cc(S(=O)(=O)N(C)C)ccc3OCC)cc2C1=O 1456809060 ABKNBUBVKFUXNB-UHFFFAOYSA-N 457.508 2.370 30 10 JEEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1cc(Br)no1 1468172604 GHXRCLPKUIUEFA-CYBMUJFWSA-N 455.334 2.207 30 10 JEEE C#CCCCn1c(N2CCN(C(=O)N3CCCCC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1507600206 XAYGDUCLXNSEBP-DEOSSOPVSA-N 458.607 2.460 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1Cc1nc(C(C)C)cs1)[C@H]1CCS(=O)(=O)C1 1507624763 DDRVXDRKSOUCKC-JTSKRJEESA-N 493.655 2.185 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccccc1OCC(C)C)[C@@H]1CCS(=O)(=O)C1 1507631642 RMMGGFPTRQTPBH-OAQYLSRUSA-N 482.610 2.388 30 10 JEEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc(Br)s1 1507642639 LWEPMKFLXINCOT-ZDUSSCGKSA-N 470.418 2.028 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC[C@H]1COCCO1 1507714352 NGFWIBJFBGQHEC-OALUTQOASA-N 463.579 2.242 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCc2ccc(SC)cc2)CC1 1507741166 VZDXFDALPTYLKP-UHFFFAOYSA-N 480.638 2.331 30 10 JEEE C#CCSCCn1c(COCC)nnc1N1CCN(Cc2ccc3c(c2)OCCO3)CC1 1507756802 MUZKXXCCDFSRKX-UHFFFAOYSA-N 457.600 2.274 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCOC2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1507800505 VYVCPKPTPAXIKR-BJLQDIEVSA-N 467.636 2.014 30 10 JEEE C=CCCOCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)NC[C@@H]2C1 1507966273 OLBINWSYYJJFLE-MSOLQXFVSA-N 475.594 2.157 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1508144751 UCLIEGQWEAQHEY-OAQYLSRUSA-N 487.670 2.468 30 10 JEEE CC[C@H](C)NC(=O)c1cccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)[C@@H](C)CC#N)c1 1513166429 ARUDRLVODGQRQX-ZWOKBUDYSA-N 472.615 2.495 30 10 JEEE CCCS(=O)(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCO2)CC1 1515233413 CQPOLRCMXMLSLS-HXUWFJFHSA-N 458.588 2.294 30 10 JEEE CCN1CCN([C@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCCO[C@H](C)C2)CC1 1515903955 ICYXKNCBFOTOOX-NHCUHLMSSA-N 467.618 2.370 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CC1(OC)CCCC1)[C@@H]1CCS(=O)(=O)C1 1539230098 KBHMVMQGBGGDSF-HXUWFJFHSA-N 483.594 2.315 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](C)c2nc(-c3ccccc3)no2)CC1 1539428934 YFSXCOJIYJNSTI-GOSISDBHSA-N 462.558 2.025 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H]2COc3ccccc3O2)CC1 1539467005 LJSORDPBZNCHOR-HXUWFJFHSA-N 494.596 2.002 30 10 JEEE C=CC[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C)C1)c1ccccc1 1539948854 SLQITRAPCBLHIC-NRSPTQNISA-N 475.615 2.196 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1540866253 IAWUKMQWVZRANV-UGKGYDQZSA-N 485.585 2.427 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCN(Cc2cnc(C)s2)CC1 1540901901 UEEDCEQMQLCHEX-UHFFFAOYSA-N 487.655 2.336 30 10 JEEE C=CCSCCn1c(Cc2ccccn2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1540917932 GVXUVMSGJOLHSY-FQEVSTJZSA-N 469.659 2.316 30 10 JEEE C[C@@H]([C@@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1CCNC(=O)C(C)(C)C)S(C)(=O)=O 1541131386 FAXZIYXKCVBEPE-SJORKVTESA-N 490.630 2.149 30 10 JEEE Cc1cnn(CC(=O)N2C[C@H](C(N)=O)C3(CCN(c4ccc(C#N)c(C(F)(F)F)c4)CC3)C2)c1 1548375657 RTHLEOBQMIVYJM-LJQANCHMSA-N 474.487 2.313 30 10 JEEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2cccn(Cc3cccc(OC)n3)c2=O)c1 1558809097 BBDYQBFILLCDKO-UHFFFAOYSA-N 451.504 2.350 30 10 JEEE C#CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1587847629 PCSVAPPRVXYYGH-QGZVFWFLSA-N 468.583 2.102 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2CCCN2CC)CC1 1588899841 YABDMAAAVRAKTR-SFHVURJKSA-N 488.434 2.486 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1595497064 OXAOPAJFUSVDRZ-INIZCTEOSA-N 488.346 2.279 30 10 JEEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1595577073 IGYQUOBVQFSRTC-UHFFFAOYSA-N 459.510 2.003 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(C(=O)N2CCCC2)CC1 1595602217 GYOGWZXBGPVSTK-TZIWHRDSSA-N 472.634 2.338 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1595760008 JRLMZMQKBXUARH-ZHRRBRCNSA-N 494.017 2.389 30 10 JEEE COCC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1619768407 GTCDIRWAEKRQJC-VWLOTQADSA-N 476.585 2.338 30 10 JEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(OC)nc1N1CCN(C(C)=O)CC1 1631716772 NACRARCNLNPIIL-SFHVURJKSA-N 459.547 2.004 30 10 JEEE C=CCn1c(SCC(=O)N[C@H](CO)[C@@H](O)c2ccccn2)nnc1-c1ccc(Cl)cc1 1642585842 OGKFFEJGGPOZGG-MJGOQNOKSA-N 459.959 2.482 30 10 JEEE Cc1nn(-c2ccccc2)c(C)c1[C@@H](CNS(=O)(=O)N1CCO[C@H](C#N)C1)C(F)(F)F 1666730833 BUKQZPYBNWFDME-IAGOWNOFSA-N 457.478 2.194 30 10 JEEE C=CCN1CCC(NC(=O)N2CCCC[C@H]2CNC(=O)CCNC(=O)OC(C)(C)C)CC1 1678692388 PZBOLUXXLBCQSW-IBGZPJMESA-N 451.612 2.232 30 10 JEEE C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCC[C@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 1682698249 VXQIUMBHTVFWAZ-OTWHNJEPSA-N 450.580 2.221 30 10 JEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@]2(CCc3ccccc32)C1 1689876499 BIQXJWORPHMCAL-FDDCHVKYSA-N 457.600 2.370 30 10 JEEE C#CCN(c1nnc(Cn2ccc3ccccc32)n1CC(C)(C)OC)[C@H]1CCS(=O)(=O)C1 1689993667 JFUPAQOYKIJTJT-IBGZPJMESA-N 455.584 2.333 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1CCC(=O)NCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1689994092 QWNKPUBRTLLTSN-OAQYLSRUSA-N 497.646 2.264 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCC=CO1)[C@H]1CCS(=O)(=O)C1 1689996415 IHRBWNLJHBQLJF-FPOVZHCZSA-N 467.551 2.048 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1nnc2n1CCC2 1690017929 OVUYGUOPXOYXOF-SFHVURJKSA-N 464.574 2.051 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)Cc1ccc2c(c1)OCO2 1690345975 IFNZNPKCPGMGLU-SFHVURJKSA-N 483.978 2.119 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1690673310 SVOOZKZDNUOZES-IBGZPJMESA-N 468.602 2.311 30 10 JEEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1690740540 YTWABMBADGIMQW-INIZCTEOSA-N 453.576 2.052 30 10 JEEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](c2ccco2)C1 1690746790 JZRNOPSCBLQKMB-WMZOPIPTSA-N 467.617 2.117 30 10 JEEE CC[C@H](C)NC(=O)c1cccc(Cn2c(CN3CCCC3=O)nnc2N2CC[C@@](F)(C#N)C2)c1 1694263116 CPLMSFKWOSOHDL-BXKMTCNYSA-N 467.549 2.419 30 10 JEEE CCCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)cc1 1695455054 BWNBHFDNNZJDLW-QRWLVFNGSA-N 450.540 2.167 30 10 JEEE COCCN(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1698023819 CYPFSTAMTRGNFN-DVECYGJZSA-N 454.575 2.169 30 10 JEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1705516644 GORUXMWPXROCNJ-IBGZPJMESA-N 465.620 2.288 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CC(C)(C)N1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1705569589 ILNJHWAGIYIUOB-RBBKRZOGSA-N 484.670 2.401 30 10 JEEE C#CCSCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCN(C(=O)COC)CC1 1705663921 SEXVJFMDZFXSMV-UHFFFAOYSA-N 452.584 2.012 30 10 JEEE C#CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC(=O)N(C)C[C@@H]1C 1705664837 CKSRGFFRNJXRTQ-IRXDYDNUSA-N 462.620 2.383 30 10 JEEE C=C(Br)Cn1c(N2CCN(C3CC3)[C@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1705692905 XHECVMWUUBGECA-XLIONFOSSA-N 465.396 2.404 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)CC(=O)NC(C)(C)C 1705697420 VBUGQWGQSKXKBC-GHTZIAJQSA-N 479.589 2.253 30 10 JEEE C=C(C)COCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@](C)(C(=O)NC)C1 1705736671 ZGVQGBXHNMBFLK-QHCPKHFHSA-N 451.531 2.149 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCN(C)Cc2ccccc2)CC1 1705769127 JLMZMPUTBWUEOR-JOCHJYFZSA-N 488.658 2.290 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1705936023 IDZVFHAQUMLXJE-UHFFFAOYSA-N 464.636 2.263 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1ncnn1C(C)(C)C 1722300604 FDESZQPMAZSUSU-OAQYLSRUSA-N 475.645 2.496 30 10 JEEE C#CCN(CC)c1nnc(-c2ccc(OC)c(Br)c2)n1CCN1CCN(C(C)=O)CC1 1722407708 QMROZGGTRSQLLZ-UHFFFAOYSA-N 489.418 2.340 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCN(C)[C@@H](C)CC)CC1 1722437386 MEYMHMXJVGTMFY-SFTDATJTSA-N 489.665 2.072 30 10 JEEE C=CC[C@H](Cn1c(CC(C)C)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1)c1ccccc1 1722596230 FRPKBYLLFKHIIN-HSZRJFAPSA-N 494.640 2.344 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1=CCCOC1 1722658823 MCQVWXWFTRYRIL-NRFANRHFSA-N 473.599 2.150 30 10 JEEE C=CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1722682469 MEEOBXAVEARASC-MRXNPFEDSA-N 466.633 2.136 30 10 JEEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](CC)C1 1722686289 WRLSXDZEAFSORY-GVDBMIGSSA-N 453.609 2.496 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC(Cn2cccn2)CC1 1722688900 OCGOVHCMTILXLR-UHFFFAOYSA-N 487.406 2.461 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@](C)(C#N)C1 1722699057 QUNRWJAGLOEEJO-GAJHUEQPSA-N 473.578 2.019 30 10 JEEE C=CCNC(=O)Cn1c(Cn2ccc3ccccc32)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1722701740 BPGYVTADVQWZGV-HXUWFJFHSA-N 463.586 2.468 30 10 JEEE CCOC(=O)N[C@@H](CC(C)C)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C(N)=O)C1 1728703949 GYEWOKFEEAJRTM-MOPGFXCFSA-N 453.547 2.289 30 10 JEEE CS[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1)C(C)(C)C 1731053330 GGWFHKCNFBFMHX-IAGOWNOFSA-N 470.665 2.129 30 10 JEEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cccc(NC(=O)[C@H]2CCCO2)c1 1740600958 VBQQUPWXCWNJLO-HYBUGGRVSA-N 453.543 2.165 30 10 JEEE C#CCN(C)c1nnc(COc2cccc(C)c2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1740613757 SKYCCEIAAOMHOK-UHFFFAOYSA-N 450.543 2.490 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)Nc2ccccn2)n1CCNC(=O)C(C)C 1740676233 WEHDZKMYSKBFGY-UHFFFAOYSA-N 463.517 2.477 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2Cc2ccc(C)n(C)c2=O)CC1 1740708144 DILZDUXABBUOOQ-UHFFFAOYSA-N 450.587 2.032 30 10 JEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](c2cccc(OC)c2)N(C)C)CC1 1740818891 XVWMEFIUQMCNMW-XLIONFOSSA-N 462.620 2.356 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c(C2CC2)nnc1N1CCN(C(=O)N2CCOCC2)CC1)C(C)C 1740926621 IJFYQJOLFHNVAR-JOCHJYFZSA-N 471.650 2.428 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](c2ccc(F)cc2)N(C)C)C1 1740980051 GZSCMGBOVQILOK-HMXCVIKNSA-N 477.606 2.404 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(C)(C)N2CCC[C@H](C)C2)C1 1740982175 RZWBQNPRYWSBHO-XUVXKRRUSA-N 465.664 2.472 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1740987387 FSADFIZZJWNZHE-MBSDFSHPSA-N 460.600 2.493 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)C[C@H]1CCOC1 1740990033 GJLDDIMLIYFRFV-GOSISDBHSA-N 456.572 2.204 30 10 JEEE CC(C)COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC(F)(F)F)CC1 1741576070 AGVUZDUXDQEJQF-UHFFFAOYSA-N 493.490 2.410 30 10 JEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1748717611 DOXVZCIDCJUPFC-LJQANCHMSA-N 473.599 2.156 30 10 JEEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCC(C(F)(F)F)CC1 1748791608 XISQBRJANZFXBR-GPANFISMSA-N 463.526 2.049 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1Cc1ccccc1N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1748805272 PWYZAHURCQHEBX-CTNGQTDRSA-N 471.627 2.303 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1Cc1ccc(OC)nc1OC)[C@H]1CCS(=O)(=O)C1 1748809157 JVJUYHZBEUEGHO-IBGZPJMESA-N 481.578 2.341 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCCCNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1748814588 GXGMDNUYAJFRBX-OALUTQOASA-N 495.646 2.451 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H](C)c1ncc(C)s1)[C@H]1CCS(=O)(=O)C1 1748815744 TTWPMWISFSTTPP-NXHRZFHOSA-N 463.629 2.367 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1CCn1c(C)nc2ccccc21)[C@@H]1CCS(=O)(=O)C1 1748816991 BWPBCHGWTMEJJM-LJQANCHMSA-N 454.600 2.462 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@]1(O)CCSC1 1748842542 LSSRLHXTUOVYLF-XMMPIXPASA-N 462.579 2.177 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2C[C@@H](C)CN2CCCC2)CC1 1749000594 YNNGICAUPPASIN-NRFANRHFSA-N 452.603 2.353 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)[C@@H](C)CCC)CC1 1749006541 RDMJCJBTYLZCBY-IBGZPJMESA-N 475.597 2.335 30 10 JEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N(CC)Cc1ccc(C(=O)N(C)C)cc1 1749033673 MEEVYWDBIWCDIM-IBGZPJMESA-N 454.600 2.324 30 10 JEEE C#CCSCCn1c(N2CCN(C3CCOCC3)C[C@@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 1749048824 BTHASEFOOFVYLC-GBXCKJPGSA-N 477.675 2.375 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCCCS1(=O)=O 1749073131 HSEQVWRUTMPABB-HRAATJIYSA-N 461.613 2.229 30 10 JEEE C=C(Cl)Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1749276322 ICHURVVUBUCOSR-INIZCTEOSA-N 457.025 2.391 30 10 JEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(C#N)cc1 1749402733 RLCNGULJQZPUFC-FQEVSTJZSA-N 458.588 2.475 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@@H](C)[C@@H](O)C1 1749727117 NERWLMUCUHXDHO-PBHICJAKSA-N 454.980 2.415 30 10 JEEE C#CCCCCn1c(-c2cc(Br)cn2C)nnc1N1CCC(OCC(N)=O)CC1 1760130842 PYRRFZJOYVBDOC-UHFFFAOYSA-N 463.380 2.320 30 10 JEEE C#CCN(c1nnc([C@H](C)OCCOC)n1Cc1ccc(F)c(C)c1)[C@H]1CCS(=O)(=O)C1 1760181218 RCMYDDROOKKEMO-HKUYNNGSSA-N 464.563 2.125 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1CCN(C)[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1760185116 PZFXHVWIJFFUKC-RBUKOAKNSA-N 459.616 2.311 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CC1(O)CCS(=O)(=O)CC1 1760209415 CFTJDTAGQYSTKM-NRFANRHFSA-N 484.622 2.438 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccc(OC)cc2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1760209536 DNKOKDXHFYKAHA-REWPJTCUSA-N 497.621 2.143 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@@]2(O)CCOC2)CC1 1760271481 ZCWOCONLZDXLNP-MHZLTWQESA-N 495.624 2.272 30 10 JEEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](Cc2ccccc2)C1 1760357475 JRMUNOSBXIEOSW-FCHUYYIVSA-N 489.642 2.273 30 10 JEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCc2cc(OC)ccc21 1760465020 VEOSQZBSDVENOJ-GHTZIAJQSA-N 475.615 2.362 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1760482780 QHEJESZPTYEKAQ-SFHVURJKSA-N 490.605 2.127 30 10 JEEE C=CCN(CC=C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H](C)N1CCOCC1 1760495889 ZCECCLTWGFZVOP-FQEVSTJZSA-N 452.607 2.351 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 1760557229 DYFCSZPBDRDTFO-UTKZUKDTSA-N 471.583 2.333 30 10 JEEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(CC(C)(C)C)n1CC1(S(C)(=O)=O)CCC1 1763043562 FUNBFHUUUYXHBS-KRWDZBQOSA-N 486.646 2.211 30 10 JEEE COCCN(CCC#N)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCCS1 1769843307 FTKPEOYBNZTCAB-INIZCTEOSA-N 453.572 2.454 30 10 JEEE N#Cc1ccccc1NC(=O)c1nc(C(=O)N2CCN(c3ncccn3)CC2)c2ccccn12 1858242995 KTNHQTXTTWVURV-UHFFFAOYSA-N 452.478 2.211 30 10 JEEE CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(N(C)S(=O)(=O)c3ccccc3C#N)nc2)cc1 1858259950 AQCLEGGVHQRKSR-UHFFFAOYSA-N 499.574 2.281 30 10 JEEE Nc1cccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc([N+](=O)[O-])cc2)c1 1862557672 LQEJQGZMGKDVQH-FQEVSTJZSA-N 452.467 2.088 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H](C)O)[C@@H]2c2ccc3c(c2)OCCO3)cc1OC 1862574414 PJOXJHJXOAIBOP-YEJXKQKISA-N 455.463 2.434 30 10 JEEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1cccc([N+](=O)[O-])c1 1862753967 AKOACORFBXIVBB-GOSISDBHSA-N 454.395 2.217 30 10 JEEE C=CCN(CC=C)c1nc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)n([C@H]2CCS(=O)(=O)C2)n1 1870004475 BEBVWFGNKAIRAU-INIZCTEOSA-N 460.516 2.285 30 10 JEEE C=CCn1cc(OCC(=O)NC[C@H]2CCCO2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870542573 WPNAIXOSXYSJJE-XMMPIXPASA-N 496.608 2.039 30 10 JEEE C=CCn1cc(OCC(=O)N[C@H](C)CC)c(=O)cc1CNc1ccc2c(c1)C(=O)N(C)C2=O 1870962236 CBFYDGGBWXULIX-OAHLLOKOSA-N 452.511 2.166 30 10 JEEE COc1cc(/C=N/n2c(SCCCO)nnc2[C@@H]2CC(=O)N(C(C)C)C2)cc(OC)c1OC 1874341371 IKDSZHZNOOYVGA-PLVXZXGYSA-N 477.587 2.385 30 10 JEEE COC(=O)c1ccc(CSc2nnc(CNC(C)=O)n2/N=C/c2ccc(OC)c(OC)c2)o1 1874433445 LEFLAXUVTUWHEA-AUEPDCJTSA-N 473.511 2.486 30 10 JEEE N#Cc1ccc(S(=O)(=O)N2CC[C@H](COc3ccc4nnc(C(F)(F)F)n4n3)C2)cc1 1890307146 JLYFGHQBLGXMAB-ZDUSSCGKSA-N 452.418 2.104 30 10 JEEE CC1(C)OB([C@H]2[C@@H]3CN(S(=O)(=O)C[C@](C)(F)CN4C(=O)c5ccccc5C4=O)C[C@@H]32)OC1(C)C 2046025338 IMHLKAUZEQGVMS-SCYDXJQRSA-N 492.378 2.365 30 10 JEEE COC[C@]1(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CCCN1C(=O)OC(C)(C)C 2180991022 IPVUJXBAABLDOD-QFIPXVFZSA-N 462.356 2.130 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CCS(C)(=O)=O)C(=O)N1CC[C@H]2C[C@@]2(B2OC(C)(C)C(C)(C)O2)C1 2194129481 VHUKPHTUCNBZKG-WJONJSRFSA-N 486.440 2.399 30 10 JEEE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC/C=C/B1OC(C)(C)C(C)(C)O1 2245248419 YDOBKIPOOYKOEQ-FMIVXFBMSA-N 462.377 2.416 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]1NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2247901526 LSKKBFKGYKEFSP-KBPBESRZSA-N 458.411 2.132 30 10 JEEE CC1(C)OB(c2c[nH]c(C(=O)N[C@H]3CCOC[C@@H]3NC(=O)OCc3ccccc3)c2)OC1(C)C 2255709496 XBBRNYUKVHIFIK-ICSRJNTNSA-N 469.347 2.128 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@]1(C)CCN(C(=O)OCc2ccccc2)C1 2255818660 OEGJFRQLUSTJNT-XMMPIXPASA-N 468.363 2.250 30 10 JEEE C[C@@H]1[C@@H](CC(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)CCN1C(=O)OC(C)(C)C 2256676797 QTGDKGDPQHWNKK-CHWSQXEVSA-N 452.386 2.233 30 10 JEEE CC(C)(C)OC(=O)N1CCCO[C@@H](CNC(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267014542 AAZUWAHGEVOGQR-INIZCTEOSA-N 450.341 2.335 30 10 JEEE CC(C)(C)OC(=O)NC1CCS(=O)(=NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CC1 2267140036 NPKDBLBNCAKYQF-UHFFFAOYSA-N 468.385 2.004 30 10 JEEE CS[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2267272126 XJUDWLUYALIMKZ-CVEARBPZSA-N 463.409 2.462 30 10 JEEE CC(C)N(CCN(C)C(=O)OC(C)(C)C)C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2267505991 QNFRFSHWCIZHFR-UHFFFAOYSA-N 450.389 2.437 30 10 JEEE C[C@H](NC(=O)C1(NC(=O)OC(C)(C)C)CC(O)C1)c1nscc1B1OC(C)(C)C(C)(C)O1 2268705347 HNKDNLUQUJNPJX-HMHBEAHTSA-N 467.397 2.038 30 10 JEEE C=CCC1(NC(=O)c2nn(C)c(B3OC(C)(C)C(C)(C)O3)c2C)CN(C(=O)OC(C)(C)C)C1 2281810447 PIIGSNWZZIAYFD-UHFFFAOYSA-N 460.384 2.323 30 10 JEEE CC(C)[C@@H]1[C@@H](NC(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)CCN1C(=O)OC(C)(C)C 2282040989 QMBBIMNGPWDFDR-DOTOQJQBSA-N 462.400 2.483 30 10 JEEE CC1(C)OB(c2ccc(S(=O)(=O)N3C[C@H]4CC[C@H]3[C@H](NC(=O)C(F)(F)F)C4)s2)OC1(C)C 2282350278 KOVWEWLVAAUPHI-XQQFMLRXSA-N 494.366 2.267 30 10 JEEE Cc1c(C(=O)N2C[C@H](CNC(=O)OC(C)(C)C)C[C@H]2C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282600031 SCTLNYFAJVESSA-ZBFHGGJFSA-N 462.400 2.403 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H](F)C[C@@H]1CNC(=O)OC(C)(C)C 2282600989 XHQYUQTYPZHFSE-LSDHHAIUSA-N 466.363 2.280 30 10 JEEE Cn1nc(C(=O)N2CC[C@H]3CN(Cc4ccccc4)C[C@H]3C2)cc1B1OC(C)(C)C(C)(C)O1 2282602965 ZSUXSBSGQYGOIN-PMACEKPBSA-N 450.392 2.313 30 10 JEEE COC(=O)[C@H](CC(=O)NCc1sc(B2OC(C)(C)C(C)(C)O2)cc1C)NC(=O)OC(C)(C)C 2283926291 LPYIJMHXKZVBPM-AWEZNQCLSA-N 482.408 2.428 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1CCc2cc(B3OC(C)(C)C(C)(C)O3)ccc21 2283964580 PGTOTPFBSBBFNL-PKOBYXMFSA-N 458.364 2.245 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1COC[C@@]1(C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2283970507 GLXYQMZLLCEJKV-OYHNWAKOSA-N 465.331 2.388 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C(=O)Nc3ccnc(B4OC(C)(C)C(C)(C)O4)c3)CO[C@H]2C1 2283980871 FRTPMKTWPYZCKO-ZACQAIPSSA-N 459.352 2.201 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1COC[C@@H]1C(=O)N1CCc2c(B3OC(C)(C)C(C)(C)O3)cccc21 2284044449 ZXHOMLNLAFITOV-WMZOPIPTSA-N 458.364 2.415 30 10 JEEE CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)NCc1ccccc1B1OC(C)(C)C(C)(C)O1 2284060534 OONQMGCOLFYHPK-HKUYNNGSSA-N 460.380 2.484 30 10 JEEE C[C@@H](OCc1ccccc1)[C@H](NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1F)C(=O)O 2284437377 QPJWUJNHPCAUEG-KDOFPFPSSA-N 458.295 2.308 30 10 JEEE Cc1nn(C)c(C(=O)N2C[C@@H]3C[C@]3(CNC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2288268699 NTWLIJZZRPXGCA-WNSKOXEYSA-N 460.384 2.015 30 10 JEEE COC(=O)[C@@]1(N2CCOCC2)C(=C(O)c2ccc(Cl)cc2)C(=O)C(=O)N1c1ccccc1 2296091413 OBSCKFPKXBTPHG-HSZRJFAPSA-N 456.882 2.427 30 10 JEEE CNC(=O)[C@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@H]1C1CCN(C(=O)COCCOC)CC1 2297650207 JKIOQUXFJXXRLQ-PMACEKPBSA-N 496.530 2.277 30 10 JEEE COc1ccc(N2C[C@H](c3nnc(SCC(N)=O)n3N=Cc3cccc(F)c3)CC2=O)cc1 2325880707 RZJLXIKLKXOMLJ-OAHLLOKOSA-N 468.514 2.406 30 10 JEEE CC1(C)OB(c2sncc2C(=O)N2C[C@H]3CC[C@H]2[C@@H](NC(=O)C(F)(F)F)C3)OC1(C)C 2337395692 CRFGTXSYFGGVAG-DRZSPHRISA-N 459.299 2.114 30 10 JEEE CC(C)(C)OC(=O)N(CCO)CCC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2342700456 JKNPCAXVXUADGI-UHFFFAOYSA-N 453.320 2.078 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N=c1[nH][nH]cc1CNC(=O)OC(C)(C)C 2352401919 DGTCPWCRRIMMQW-UHFFFAOYSA-N 463.369 2.173 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2359309834 CZRMTJDKIZIEON-XHSDSOJGSA-N 458.368 2.294 30 10 JEEE C=CCn1c(C)cc(C(=O)COC(=O)[C@@H](NS(=O)(=O)c2ccc(C)c(C)c2)[C@@H](C)O)c1C 9084134 AYLGKNRZILNZRP-GCJKJVERSA-N 462.568 2.362 30 10 JEEE Nn1c(N/N=C/c2cccc(O)c2)nnc1SCCC(=O)Nc1cccc(N2CCCC2=O)c1 20915382 FMHFBNPOAXLCPI-ZVHZXABRSA-N 480.554 2.391 30 10 JEEE COc1cccc([C@H]2/C(=C(\O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN2CCOCC2)c1 135647019 ZEIKPHSQKISSED-AYWGPLOBSA-N 480.517 2.220 30 10 JEEE CC(C)(C)NC(=O)CCN(N=Cc1cc([N+](=O)[O-])ccc1O)C1=NS(=O)(=O)c2ccccc21 254351096 VSHQVWOJRLBARH-UHFFFAOYSA-N 473.511 2.390 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)C[S@](=O)CC(=O)c3ccc(NC(C)=O)cc3)cc21 526895573 DTPMGVGQBPXQNI-JGCGQSQUSA-N 454.504 2.371 30 10 JEEE COc1ccccc1[C@@H](CNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)N1CCCC1 616172784 PAZLUKIYOZHJIM-JOCHJYFZSA-N 497.621 2.420 30 10 JEEE COc1ccc(OC)c(-n2c(=C(C#N)C(=O)C(C)C)sc(=Cc3cnn4ccccc34)c2=O)c1 729672392 LLGXJCNIWVPPDT-UHFFFAOYSA-N 474.542 2.292 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)ccc1F 1127911641 JMUBQFUSSIFVQP-IBGZPJMESA-N 456.499 2.087 30 10 JEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)OC2CCCC2)cc1 1150340811 MXDSGVZEDAWJDJ-QFIPXVFZSA-N 454.548 2.425 30 10 JEEE CNS(=O)(=O)c1cccc([C@H](C)NS(=O)(=O)c2cc(Br)cc(C#N)c2)c1 1186507314 DMQJCZINVJYNMM-NSHDSACASA-N 458.359 2.268 30 10 JEEE C=C[C@@H]1OCC[C@H]1C(=O)NCCN1C(=O)S/C(=C\c2cc(OC)c(OC)c(OC)c2)C1=O 1264351876 PWOWVSVUWHZEJC-HXPPYDANSA-N 462.524 2.456 30 10 JEEE C#CCCCCn1c(Cc2ccsc2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1286333472 IFWDNGSNAKEGAY-HXUWFJFHSA-N 477.656 2.365 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1CC1(SC)CCN(C)CC1)[C@@H]1CCS(=O)(=O)C1 1286382952 BPTZZYKDGBJQMO-QGZVFWFLSA-N 453.678 2.030 30 10 JEEE C#CCN1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CCCN(C)C(C)C)CC1 1286471992 CFFCUXZHGPQZNW-UHFFFAOYSA-N 486.690 2.032 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cccc(OCC)c2)CC1 1286663575 NPIKULBVYWZJFL-NRFANRHFSA-N 475.615 2.460 30 10 JEEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 1286689961 IFJRTVKRHZLOIV-UHFFFAOYSA-N 471.650 2.297 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC[C@@H](O)C1 1286749759 YPQKEXDEPYPJMD-GGPKGHCWSA-N 495.671 2.416 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCN([C@H](C)c2ccc(F)cc2F)CC1 1286786620 HVEUOHGOCHMZEY-MRXNPFEDSA-N 468.512 2.199 30 10 JEEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1286822974 JSWGFGQPATXTMF-CABCVRRESA-N 472.662 2.150 30 10 JEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccc(OC)c2)CC1 1300338931 JFCPCVWNVFZEIA-SFHVURJKSA-N 460.604 2.027 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H](OC)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1300498576 LVDLLCJGVGDEEA-FGZHOGPDSA-N 465.579 2.278 30 10 JEEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@]1(C)COCCO1 1300534774 DXMJAVXYYNDZGC-XMMPIXPASA-N 457.575 2.271 30 10 JEEE C#CCN(CCOC)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCC2(C1)OCCO2 1300675398 QNZZWBUIJJLJKW-HXUWFJFHSA-N 451.527 2.358 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CCc2cccc(C(=O)N(C)C)c2)CC1 1300725829 DSUITQXMDJXBGO-UHFFFAOYSA-N 499.619 2.174 30 10 JEEE C#CCSCCn1c(CC2CCCC2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1300768614 UQFBZASVNBAANI-HXUWFJFHSA-N 481.688 2.008 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)c2nccs2)CC1 1301123825 FHRWHSINVYYFAA-DOTOQJQBSA-N 466.633 2.274 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)n(C)c1=O 1301402609 OKPIGJPZEMRAFA-JOCHJYFZSA-N 481.622 2.471 30 10 JEEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1301496540 CASLVOYAFNOESM-HDICACEKSA-N 451.575 2.274 30 10 JEEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCc1ccc(OC)c(OC)c1 1306193889 HOEQBHYRKSULCD-UHFFFAOYSA-N 464.574 2.341 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 1358965970 FNHKTNQNAMMQQV-GOSISDBHSA-N 467.576 2.465 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H](C)CN1CCN(CC)CC1 1358989669 LYUCQQBEFLRUAG-NRFANRHFSA-N 462.598 2.410 30 10 JEEE C#CCN(CC#CC)c1nnc(COc2ccc(C#N)cc2)n1CC1(S(C)(=O)=O)CCC1 1358998003 MRVGBIFHKNGWNS-UHFFFAOYSA-N 451.552 2.159 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(Br)s2)n1Cc1ccc(C(N)=O)nc1 1359020980 XNLVVOAGGVEEQY-UHFFFAOYSA-N 475.372 2.397 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H]2CC(F)(F)CO2)CC1 1359042352 BYWIXBODEKEYTE-GOSISDBHSA-N 489.523 2.352 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2Cc2cnccc2OC)CC1 1359043530 XPHLVPKMECGLQN-UHFFFAOYSA-N 460.538 2.371 30 10 JEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 1359048452 QZSFCNKCMXLQOS-UHFFFAOYSA-N 460.579 2.257 30 10 JEEE C=C(Cl)Cn1c([C@H](C)OCCOC)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1359143346 YREZGJAMACNAFK-HNNXBMFYSA-N 451.915 2.384 30 10 JEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccs2)CC1 1359227634 GYSITAPVOLEVBW-QGZVFWFLSA-N 451.618 2.161 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 1359300336 ZRJZQHYNJLCKCR-OALUTQOASA-N 467.574 2.033 30 10 JEEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1359345295 ASDIANXMJNIVKJ-HXUWFJFHSA-N 456.620 2.469 30 10 JEEE C#CCN(Cc1ccc(F)cc1)Cc1nc(=O)c2c(CC(=O)OC)c(C(=O)OC)sc2[nH]1 1459407979 SOPFCJBVSUZRQC-UHFFFAOYSA-N 457.483 2.261 30 10 JEEE C#CCN1CCC[C@H](NC(=O)C2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)C1 1471833010 NMFYNBVKKHFCBY-SFHVURJKSA-N 457.518 2.320 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Cl)n1Cc1cc(C)nn1C)[C@H]1CCS(=O)(=O)C1 1507629532 NESBOTBXJOSOHE-INIZCTEOSA-N 458.975 2.315 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1csc([C@@H](C)OC)n1)[C@H]1CCS(=O)(=O)C1 1507631228 CDGZKCWIBMTVEQ-NUJGCVRESA-N 479.628 2.011 30 10 JEEE C#CCN(c1nnc(COc2ccccc2OC)n1CC1(OC)CCCC1)[C@H]1CCS(=O)(=O)C1 1507640357 QHHXRFBFUBYXPI-IBGZPJMESA-N 488.610 2.452 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2CC2(O)CCCCCC2)CC1 1507736987 VZVUUYMXVZQBBP-IBGZPJMESA-N 461.607 2.053 30 10 JEEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1507784523 KYGGVOHEOZMSQS-INIZCTEOSA-N 494.394 2.138 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1507805927 LNROLMDGHOIHIY-LPHOPBHVSA-N 488.530 2.404 30 10 JEEE C=C(C)COCCn1c(-c2nnc(O)c3ccccc23)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1507842813 CQZLIGOQFLSUDI-IAGOWNOFSA-N 454.531 2.427 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCN(CC(F)(F)F)C2)CC1 1507904519 YRFVSCCTZQQTRL-DLBZAZTESA-N 461.554 2.467 30 10 JEEE C=CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(C(=O)NCC)CC1 1507931242 YNDAPVUUVNVUDG-UHFFFAOYSA-N 464.574 2.400 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nc(C)cs1 1508034505 WEAWORXRNQUACU-SFHVURJKSA-N 492.627 2.252 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 1508142639 FGKROHFAXMINJH-UHFFFAOYSA-N 461.588 2.132 30 10 JEEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)c1cccc(O)c1 1508159931 CBTIQUQAAZORDE-VQIMIIECSA-N 481.644 2.433 30 10 JEEE CC(C)(C)C(=O)NCCn1c(-c2ccccn2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1508466740 HXMIGTMLKWQHHY-UHFFFAOYSA-N 459.558 2.096 30 10 JEEE C[C@@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H](c1ccco1)N(C)C 1512389682 GECCJOVIBSIDFT-XLIONFOSSA-N 463.542 2.292 30 10 JEEE CCCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnn(CCOC)c2)CC1 1515036451 CRVZOWMHBQJDPV-UHFFFAOYSA-N 476.585 2.451 30 10 JEEE CNC(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)Cc1ccc(C#N)cc1 1517593522 HJKCAPQHYRZGHE-UHFFFAOYSA-N 459.558 2.096 30 10 JEEE COC[C@@]1(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCN(C(=O)OC(C)(C)C)C1 1538383188 CAEFCYBPRYERAB-YADARESESA-N 456.543 2.443 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccc(C)n3)n2C[C@@]2(O)CCO[C@H]2C)c1 1539039530 DCKFXWACJUMSLI-BVZFJXPGSA-N 460.538 2.245 30 10 JEEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cn2cc(Cl)cc(Cl)c2n1 1539180064 VZSVQKFGNSSYBQ-LBPRGKRZSA-N 453.355 2.252 30 10 JEEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2CCN2CCOCC2(C)C)CC1 1539460164 YWYBFWNCENGDJT-UHFFFAOYSA-N 452.603 2.032 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 1539482893 XXMXUOIFKRNUHK-VQTJNVASSA-N 486.617 2.147 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2c(c1)OCCCO2 1539669434 QNBGZNSEBOOTIU-NRFANRHFSA-N 491.614 2.223 30 10 JEEE C=CCC(C)(C)Cn1c(COCC)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1539928624 CTLWOGCLEWVCKM-SFHVURJKSA-N 455.625 2.048 30 10 JEEE C=CCN1CC[C@@H](N(C)C(=O)C2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)C1=O 1539964540 NTTCKXKLRGOHHT-GOSISDBHSA-N 457.955 2.125 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1540868621 LWLWUDSPIZALFO-LJQANCHMSA-N 476.585 2.126 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)Cc1ncc(Cl)n1C 1540869884 ZRAVGWPAHBUMQE-UHFFFAOYSA-N 495.975 2.000 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 1540907207 OPJWOSPBPHMYSL-UHFFFAOYSA-N 460.560 2.066 30 10 JEEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(OC[C@H]2CCOC2)CC1 1547312773 CVYLWBYOEKIEMS-IBGZPJMESA-N 452.559 2.317 30 10 JEEE CCN1CCN(C[C@H](C)Cn2c(COc3ccc(C)c(C)c3)nnc2N2CCO[C@H](C#N)C2)CC1 1547730231 DFKWTICEQYNMSG-GBXCKJPGSA-N 481.645 2.476 30 10 JEEE COc1ccccc1SCc1nnc(N(C)C[C@@H](C)C#N)n1CCN1CCN(C(C)=O)CC1 1555111063 BVGAUGWPYVEHPP-SFHVURJKSA-N 471.631 2.339 30 10 JEEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(CCO)Cc1ccc(OC)cc1 1558104472 HMYJFSDLSKNWOF-HXUWFJFHSA-N 459.568 2.314 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@]1(C)CCCO1)[C@@H]1CCS(=O)(=O)C1 1588041641 YXZJAOKNDODVHB-WZONZLPQSA-N 474.583 2.158 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1CCc1ccc(S(C)(=O)=O)cc1)[C@H]1CCS(=O)(=O)C1 1588059758 UMLXIJBHBDAGFO-IBGZPJMESA-N 492.667 2.140 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2ccccc2C)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1588148951 BVDCRPGUVJNHHN-PKTZIBPZSA-N 465.623 2.454 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(OCCC)c(OC)c2)n1C[C@@]1(O)CCN(C)C1 1588205152 FAZJVLHXCWQIEM-RUZDIDTESA-N 451.571 2.272 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCNC(=O)C(C)C 1588233985 XVAJAEFGXLIQJA-FQEVSTJZSA-N 486.617 2.212 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCCCC=C)CC1 1588761719 AJDKCCMIKFIQJK-UHFFFAOYSA-N 456.616 2.307 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2CCN2CCOC(C)(C)C2)CC1 1588908493 RLILVNPVDFFSMF-UHFFFAOYSA-N 450.587 2.022 30 10 JEEE C=CCC(C)(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCO[C@@H](C(=O)NC)C1 1594491840 MBMYMGPBTMBOAR-QGZVFWFLSA-N 451.531 2.147 30 10 JEEE C=CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O)c1ccccc1 1594536973 ZUVXYLZOZSXNFW-LJQANCHMSA-N 479.585 2.297 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCC1(O)CCOCC1 1595303500 UMZYCNGQFXMRAV-IBGZPJMESA-N 495.621 2.157 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)CC1CCOCC1 1595465922 BIAOWHSQNMYDCL-UHFFFAOYSA-N 460.966 2.027 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1595523135 QJJWGKTUBDBRQM-MRXNPFEDSA-N 474.537 2.116 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 1595561849 DPLZSHNDZZPGMP-UHFFFAOYSA-N 464.595 2.124 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cccc(C(F)F)c2)C1 1595730044 SKYREBQPNMVZCD-OALUTQOASA-N 497.568 2.378 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)OC1CCCC1 1595805447 PCKBIVBUDRUIDL-SFHVURJKSA-N 499.634 2.498 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCC(c2cnn(C)c2)CC1 1595812589 YEZCEJFZBOZBCD-UHFFFAOYSA-N 475.644 2.352 30 10 JEEE CC(C)N(CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@](F)(C#N)C1)C(C)C 1608032874 BDDQCZPDZYCXAC-QFIPXVFZSA-N 452.542 2.482 30 10 JEEE COCCN(CCC#N)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@]1(O)CCC[C@H]1C 1619910249 BHIOBMIQPVUDSY-VGSWGCGISA-N 461.588 2.266 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H](c1ccc(C)o1)N1CCOCC1 1649537805 FLYDUKIQNAANJE-MFSJNOQSSA-N 457.575 2.363 30 10 JEEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCOCC(F)(F)C(F)F 1689961459 YFRHNYISRSVVQQ-UHFFFAOYSA-N 452.412 2.178 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CC[S@](=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1689992208 ILMJLUJSHMRQHT-KNTRGWTASA-N 498.621 2.321 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1C[C@@H](C)O[C@H](C)C1 1690098025 SFYFODPAWKFYKU-QZTJIDSGSA-N 450.547 2.210 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CC2CCN(Cc3ccccc3)CC2)CC1 1690110244 DMGMXUSGSFPXCD-UHFFFAOYSA-N 463.630 2.084 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccn3C)n2CCc2ccc(OC)c(OC)c2OC)CC1 1690120083 FVRVXNHGRGBPRD-UHFFFAOYSA-N 464.570 2.307 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1690665468 FKVVDYFYSRYDGC-INIZCTEOSA-N 487.486 2.300 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1690675789 FJBUGKQGKWPBLK-CZUORRHYSA-N 479.368 2.181 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN(Cc2csc(CC)n2)CC1 1690722663 RDXBREJNSWNWBG-UHFFFAOYSA-N 487.655 2.282 30 10 JEEE CCc1nn(C)c(CC)c1Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1694604299 CRFQLMFMFRZERB-GOSISDBHSA-N 467.599 2.347 30 10 JEEE COCC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1697725111 CCNMRWLEWINOKJ-UHFFFAOYSA-N 474.569 2.310 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCc1cccc(C(=O)N(C)C)c1)[C@@H]1CCS(=O)(=O)C1 1705567288 VLTIAOGKZMTEQK-FGZHOGPDSA-N 499.637 2.091 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1ccc(NC(C)=O)nc1 1705596273 YXSSTDSOJAVDCY-UHFFFAOYSA-N 480.532 2.057 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OCC(C)C)cc1 1705599105 VHAHDISXOLMHMS-QHCPKHFHSA-N 499.637 2.157 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H]1CCS(=O)(=O)C1 1705623174 IPBKWIYIPAIISG-HNNXBMFYSA-N 454.499 2.067 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2nccn2C(F)F)CC1 1705643913 USPIQNJESHNNIM-CALCHBBNSA-N 490.559 2.444 30 10 JEEE C#CCSCCn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1705655020 BDJOECPXGOPXNI-UHFFFAOYSA-N 487.029 2.236 30 10 JEEE C#CCSCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CC(=O)N(C)[C@H](C)C1 1705659365 TWDZPXOKTJAIAK-QGZVFWFLSA-N 479.610 2.269 30 10 JEEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1705667911 YWCVMUMBZQPFRI-NJDAHSKKSA-N 474.675 2.123 30 10 JEEE C=CCCOCCn1c(-c2ccccc2F)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1705827626 MHPKHTZXJOUQIM-LJQANCHMSA-N 493.605 2.308 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(C(=O)C(C)C)CC1 1705897025 DSZLVOMFAPSLJG-KRWDZBQOSA-N 458.538 2.164 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@H](OC)C1 1705930102 FMLBFQFDCCQWTR-IBGZPJMESA-N 461.588 2.363 30 10 JEEE C=CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1705946407 GYGKXHJWXACHHM-GPMSIDNRSA-N 460.556 2.070 30 10 JEEE CC(C)(C)c1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CC(=O)NCC(F)F)cc1 1706100156 GXVJJDTYTGYDFR-QGZVFWFLSA-N 462.501 2.265 30 10 JEEE N#Cc1ccc(OCc2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2C[C@H]2CCCCS2(=O)=O)cc1 1712880389 HMPQOPOFRZJYHL-QZTJIDSGSA-N 499.515 2.464 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1Cc1ncccc1C)[C@@H]1CCS(=O)(=O)C1 1722366865 SCMSJNQRHHVTTO-LJQANCHMSA-N 453.543 2.386 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1C[C@H](C)CN1CCN(CC)CC1 1722376433 OHGPHIRFUSBFGG-LJQANCHMSA-N 486.462 2.393 30 10 JEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1oc(CC)nc1C 1722378920 IUAJJCTTWCVJBE-UHFFFAOYSA-N 451.556 2.218 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC(C)(C)C)nc1 1722398325 ZUTREZIOTQAMAM-IBGZPJMESA-N 455.584 2.264 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2csc([C@@H](C)OC)n2)CC1 1722429554 NJWBUPKCJYSDOF-MRXNPFEDSA-N 459.620 2.164 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(-n2nc(C)cc2C)nc1 1722679582 GIAQSMVDTHYOHK-LJQANCHMSA-N 450.547 2.114 30 10 JEEE C=CCSCCn1c(N2CCCC[C@H](S(C)(=O)=O)C2)nnc1[C@]1(OCC)CCOC1 1722739406 IMUSTMRXGYNOPH-PXNSSMCTSA-N 458.650 2.253 30 10 JEEE CC(C)NS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](c2ccnn2C)C1 1723660077 CRPUCGQCPLIASM-FQEVSTJZSA-N 482.614 2.262 30 10 JEEE CCCc1nc(C)c(Cn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@@H](CNC(C)=O)C2)o1 1727974658 FQYOKMIJQZJRJM-FQEVSTJZSA-N 463.542 2.455 30 10 JEEE C#CCN(c1nnc([C@H]2COc3ccccc3O2)n1CCN(CC)CCC)[C@H]1CCS(=O)(=O)C1 1740628724 ZVKPYVQVJLLPNJ-SIKLNZKXSA-N 487.626 2.149 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H](C)Oc2ccc(F)cc2)CC1 1740692989 SBIZOUYVYXSVNX-NTKDMRAZSA-N 457.550 2.292 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCCc2cnn(C)n2)CC1 1740707543 GOTHTMRLPAQHBC-UHFFFAOYSA-N 490.612 2.201 30 10 JEEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CCOCC)[C@H](CC)C1 1740742947 GZCDBVCNRKKEIP-HZPDHXFCSA-N 455.401 2.075 30 10 JEEE C=C(C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCCN(S(C)(=O)=O)CC1 1740781328 CAYKMDMWMBUJRY-GOSISDBHSA-N 482.651 2.440 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1740848959 VPVIIBJXVMMXQA-RTWAWAEBSA-N 473.666 2.063 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1OCCC1(C)C 1740937985 UZGOSWNERSSOQI-PMACEKPBSA-N 493.630 2.254 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@@H](C)O[C@H](C)C1 1740987302 DHJDXPVMFAGQNB-HZPDHXFCSA-N 450.561 2.177 30 10 JEEE Cc1cccc(-c2nnc(N(C)Cc3cccc(C#N)c3)n2CCN2CCCS2(=O)=O)n1 1742313362 BVXUXJRUNTWPPJ-UHFFFAOYSA-N 451.556 2.192 30 10 JEEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CCCO1 1743244210 GWRFTULLMYLEKD-DENIHFKCSA-N 465.602 2.375 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@]1(N(C)C)CCSC1 1748666178 ZOESNWSDBFEVRZ-KKSFZXQISA-N 461.661 2.133 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@H](C(CC)CC)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1748803030 URYOCPYFFSRJPN-RTWAWAEBSA-N 479.691 2.339 30 10 JEEE C#CCN(c1nnc(-c2ccccc2F)n1CCCOC[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1748810431 WEMONFBIRMSIKV-RBUKOAKNSA-N 476.574 2.154 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@](C)(O)c1cc(C)oc1C)[C@@H]1CCS(=O)(=O)C1 1748811071 BBKHCSNUPRHAJO-AUSIDOKSSA-N 469.567 2.084 30 10 JEEE C#CCN(c1nnc(COc2ccccc2CC)n1Cc1cnn(C)c1C)[C@@H]1CCS(=O)(=O)C1 1748824154 JZLUPHBUKODSDH-OAQYLSRUSA-N 482.610 2.136 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCCOC3)n2Cc2nc(C)cs2)n1 1748971307 LDFOOLLFXRHUTR-GOSISDBHSA-N 455.588 2.468 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCCCN2C[C@@H](C)C[C@@H](C)C2)CC1 1748977931 FMVPPLKLWFZUKW-MVERNJQCSA-N 472.678 2.444 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC2(O)CCC2)CC1 1749003438 JTYQAUPLZMVLFJ-UHFFFAOYSA-N 452.515 2.124 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2ncnn2C(C)(C)C)CC1 1749003658 RCOGHUCHJUXJJD-UHFFFAOYSA-N 491.556 2.214 30 10 JEEE COCC1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(C(N)=O)CCOCC2)CC1 1749386763 CGVWFZYMACXTGQ-UHFFFAOYSA-N 452.559 2.352 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)[C@@H]2CCSC2)cc1 1749683343 QDPSHTTXCTWYMG-NVXWUHKLSA-N 451.618 2.443 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2cccc(Cl)c2)C1 1749732419 WJDKRAFZQWHTGM-ZWKOTPCHSA-N 479.990 2.061 30 10 JEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCN1CCCC(C)(C)C1 1760173373 SKIDOBRCOBSFPD-UHFFFAOYSA-N 458.632 2.387 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H](C)c1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1760185323 VGAGOZBFRRPFJM-YJBOKZPZSA-N 454.556 2.375 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1cccc(C(OC)OC)c1)[C@@H]1CCS(=O)(=O)C1 1760188930 RIXWFDGDJUXHNQ-LEWJYISDSA-N 488.610 2.139 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CCCSC)[C@H]1CCS(=O)(=O)C1 1760192497 VDLAJPWWGADKBL-KRWDZBQOSA-N 452.577 2.376 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC2(N(C)C)CCOCC2)CC1 1760257378 VFHMTVLHGBMJLT-FQEVSTJZSA-N 470.593 2.423 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC2(COC)CCOCC2)CC1 1760263727 MUVKCIZATRMSPM-NHCUHLMSSA-N 459.635 2.395 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H]2C[C@H](C)O[C@H](C)C2)CC1 1760265970 NFQGCAGDHRRMJQ-XZWCOCNFSA-N 473.618 2.100 30 10 JEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1Cc2ccoc2CC(C)(C)C1 1760275291 UTAFGRXDUFFHQG-HNNXBMFYSA-N 451.618 2.437 30 10 JEEE C=C(C)COCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@H](C(=O)OC)C1 1760352228 SFYDMJHYJRCYFZ-IBGZPJMESA-N 491.614 2.178 30 10 JEEE C=C(Cl)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](COC)C1 1760374112 IMULRKRIRBIJQI-HZPDHXFCSA-N 457.959 2.191 30 10 JEEE C=C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2CCCN2CCCO)CC1 1760384489 YYTXEGBIELFLMS-HXUWFJFHSA-N 459.616 2.352 30 10 JEEE C=CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1760422173 BOIVMEOBUORRHO-IBGZPJMESA-N 461.588 2.046 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](c2ccc(Cl)s2)C1 1760514523 IGWFLAYKXSIUSP-CYBMUJFWSA-N 452.968 2.011 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1 1760520287 JBJCSUMBGLZXSW-UHFFFAOYSA-N 465.945 2.258 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Br)s2)nnc1N1CCC(C(N)=O)CC1 1760551352 BWYUVXHLCOCYIA-UHFFFAOYSA-N 488.433 2.072 30 10 JEEE C=CCSCCn1c([C@H]2CCCO2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1760568742 RJQURIISRYXCCU-CEWLAPEOSA-N 462.664 2.428 30 10 JEEE CC(C)(O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(NC(=O)C2CC2)CC1 1760817884 ABAHLPOMEJGVAR-UHFFFAOYSA-N 452.559 2.385 30 10 JEEE CC(C)CCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N(C)C)nc1 1761077594 CUMNQFIWAWXGGD-IBGZPJMESA-N 459.620 2.456 30 10 JEEE CCOCc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@H](C(C)C)N1CCOCC1 1766413974 DVUWMIGQBNGWOF-XMMPIXPASA-N 481.645 2.365 30 10 JEEE CCN(c1nnc(-c2cccc(C#N)c2)n1CC1(O)CCN(C(C)C)CC1)[C@H]1CCS(=O)(=O)C1 1766450995 HIFFHLIFGZZACX-NRFANRHFSA-N 486.642 2.065 30 10 JEEE CCNC(=O)C1(Cn2c(CC(C)(C)C)nnc2N2CCN(c3c(C#N)c(C)nn3C)CC2)CCC1 1767193268 BCDWWOJTNNQRFP-UHFFFAOYSA-N 481.649 2.413 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)[C@@H](C)N3CCN(S(=O)(=O)c4ccccc4)CC3)cc21 1858630257 OLWGTJLMCYZRBY-GOSISDBHSA-N 469.563 2.176 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)[C@H](C)Oc3cccnc3NC(=O)N3CCCNCC3)cc21 1858828964 DVFBDAGFBOVOLL-KRWDZBQOSA-N 479.537 2.470 30 10 JEEE C=CCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccccn1)C2=O 1861513728 UJMJHNMNLQKLDW-QHCPKHFHSA-N 484.512 2.227 30 10 JEEE O=C(O)c1ccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCN2CCOCC2)cc1 1862595757 DPALDIRKJQDNHJ-FQEVSTJZSA-N 452.463 2.001 30 10 JEEE COc1cc(C(=O)NCC(=O)Nc2c(C#N)nnn2-c2cccc(Cl)c2)cc(OC)c1OC 1870140132 BEQMZLYGSADXMD-UHFFFAOYSA-N 470.873 2.187 30 10 JEEE COc1ccc(CCN2C[C@H](C(=O)Nc3c(C#N)nnn3-c3ccc(F)cc3)CC2=O)cc1OC 1870150020 VXAPLODOFQFSLQ-MRXNPFEDSA-N 478.484 2.325 30 10 JEEE C#CCOc1cn(CCCn2ccnc2)c(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1=O 1870561617 VAWGMGGHPCIFAE-UHFFFAOYSA-N 476.537 2.378 30 10 JEEE N#Cc1ccccc1NC1=C(c2cc(F)c(F)cc2F)C(=O)N(CCN2CCOCC2)C1=O 1873246430 XPMPLQPKQSZTHL-UHFFFAOYSA-N 456.424 2.500 30 10 JEEE CC(=O)NCc1nnc(SCc2nc(O)c3ccccc3n2)n1/N=C/c1ccc(O)cc1O 1874434802 XYKGXBHOQDIZLO-NUGSKGIGSA-N 465.495 2.149 30 10 JEEE Cc1cnc(C#N)nc1-n1c(C)nc(I)c1I 1951144336 JBMBKVUAMMRFNA-UHFFFAOYSA-N 451.009 2.360 30 10 JEEE Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C=CC(=O)OCC(=O)Nc1sccc1C#N 2040426178 NTPZGOQSTVYLGE-ZDUSSCGKSA-N 468.944 2.333 30 10 JEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C=Cc3ccc4c(c3)OCCCO4)CC2)cc1 2042448133 OUADTRPLLFSICZ-UHFFFAOYSA-N 453.520 2.266 30 10 JEEE COC[C@@H]1CC[C@H](n2cnc(I)c2I)C[C@]1(N)C#N 2127236011 OJNDYDZSVOQGKP-AUTRQRHGSA-N 486.095 2.301 30 10 JEEE CC(C)(C)OC(=O)NC[C@H](CO)NC(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1Cl 2247802265 OSIVMHUUCOQJQH-LLVKDONJSA-N 460.789 2.316 30 10 JEEE C=C(CS(=O)(=O)N(C)C[C@]1(O)CCN(Cc2ccccc2)C1)B1OC(C)(C)C(C)(C)O1 2255795861 YQIKXSZQMCNQGY-JOCHJYFZSA-N 450.410 2.073 30 10 JEEE Cn1nc(C(=O)N2CCC[C@H](NC(=O)OCc3ccccc3)C2)cc1B1OC(C)(C)C(C)(C)O1 2264012270 UCPUAVQBAQFLRP-SFHVURJKSA-N 468.363 2.250 30 10 JEEE CC1(C)OB(c2csnc2C(=O)NCC2(O)CCN(Cc3ccccc3)CC2)OC1(C)C 2266996748 JQOLQRPJYNQPNP-UHFFFAOYSA-N 457.405 2.199 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCN(C[C@H](C)O)C(=O)OC(C)(C)C 2267126433 ATVNQRQNFLJTQS-ZDUSSCGKSA-N 469.413 2.098 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1CC2(C1)C[C@@H]2NC(=O)OCc1ccccc1 2267459234 BQYMNPNNYNEAJU-HTHJYTGDSA-N 480.374 2.297 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1[C@H](C(=O)N=c1nc(B3OC(C)(C)C(C)(C)O3)[nH]s1)C2 2268648262 XHMMVADPDOGDLE-MJBXVCDLSA-N 464.397 2.233 30 10 JEEE CC(C)(C)OC(=O)N1CC(F)(F)C[C@]1(C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2268676385 JYYDKMRBLBHNOS-GOSISDBHSA-N 474.339 2.233 30 10 JEEE C=CCN(CC(=C)B1OC(C)(C)C(C)(C)O1)C(=O)[C@@H](CCC(N)=O)NC(=O)OC(C)(C)C 2268711082 KNYWFVULOGRKEB-MRXNPFEDSA-N 451.373 2.347 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](O)CN1C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2281766679 AOXPJAFJSJYYBK-HZPDHXFCSA-N 464.343 2.225 30 10 JEEE C[C@@H]1C[C@H](CNC(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2282038554 JZSPNWOGLVOGHQ-HZPDHXFCSA-N 462.400 2.485 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@H](C)[C@@H](NC(=O)C(F)(F)F)C2)n1 2282038912 OOPQUVPGIXXSBR-WFASDCNBSA-N 455.286 2.218 30 10 JEEE CCn1cc(C(=O)NC[C@@H](F)C2CN(C(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2282048124 HTUBRVJAJZFIEB-OAHLLOKOSA-N 466.363 2.137 30 10 JEEE CN(Cc1ccccc1)[C@@]1(CNC(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)CCOC1 2282513199 ODRQFALYQGIQSL-RUZDIDTESA-N 451.376 2.402 30 10 JEEE Cn1ncc(C(=O)N2CC[C@]23C[C@@H](CNC(=O)OC(C)(C)C)C3)c1B1OC(C)(C)C(C)(C)O1 2282559611 KKYFFFGDHUNWEX-CWSKOGRWSA-N 460.384 2.239 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N=c2nc(CNC(=O)OC(C)(C)C)[nH]n2C)s1 2282645963 MBEPWMCVVZRBTA-UHFFFAOYSA-N 477.396 2.183 30 10 JEEE CN1CCN(C(=O)OC(C)(C)C)C[C@H]1CNC(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2282666018 UNYCMMRWYFSMNM-LJQANCHMSA-N 459.396 2.267 30 10 JEEE CC(C)(C)OC(=O)NC1[C@H]2CN(S(=O)(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)cc3F)C[C@H]12 2282836271 HUNDYLQMOUTCPQ-GJZGRUSLSA-N 482.383 2.269 30 10 JEEE CC1(C)OB(c2cscc2S(=O)(=O)NCCN2CCN(Cc3ccccc3)CC2)OC1(C)C 2282874381 ZTBLYPAYIUGMEL-UHFFFAOYSA-N 491.488 2.143 30 10 JEEE CC(C)(C)OC(=O)N1CCC2(CC1)CN(C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)C2 2283069906 TYNXADGIHKYPQX-UHFFFAOYSA-N 458.368 2.249 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)NCc2cc(B3OC(C)(C)C(C)(C)O3)ccc2F)C1 2284147569 NKAMKJPGHGSHOQ-HSZRJFAPSA-N 464.343 2.113 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C 2362350489 SLKILJYGPBHITG-GJZGRUSLSA-N 462.400 2.389 30 10 JEEE Cn1cnc(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 2362355255 ZUVRNPDPIQFHMG-FPCVCCKLSA-N 460.384 2.141 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)N(CCC(C)C)c3c(N)n(CCCC)c(=O)[nH]c3=O)cc2C1=O 14623376 RUARRNNWRWMUCB-UHFFFAOYSA-N 481.553 2.394 30 10 JEEE COc1cccc(/C=N/Nc2nnc(SCC(=O)NC3CC(C)(C)NC(C)(C)C3)[nH]2)c1O 20834506 YIDDGAHTCWUBLU-SSDVNMTOSA-N 461.592 2.482 30 10 JEEE CCNS(=O)(=O)c1ccc(NC(=O)CSc2n[nH]c(N/N=C/c3ccccc3F)n2)cc1 21077383 BMABDZSOAGJKMA-SRZZPIQSSA-N 477.547 2.419 30 10 JEEE C=CCn1c(=O)c(=O)n(CC(=O)NCCCN2CCN(c3cccc(C)c3)[C@H](C)C2)c2ccccc21 33268764 JRPJHHMDESENGC-JOCHJYFZSA-N 489.620 2.375 30 10 JEEE CC(=O)N1CCN(C(=O)[C@H](OC(=O)CSc2nc(O)cc(C(F)(F)F)c2C#N)C(C)C)CC1 925051046 HMNRHRXLLNJWMD-QGZVFWFLSA-N 488.488 2.028 30 10 JEEE Cc1nn(-c2ccccc2)c(N2CCOCC2)c1C=NNc1nc(SCC(=O)NC(C)C)n[nH]1 1083989749 JNQYHKRCUZBQRA-UHFFFAOYSA-N 483.602 2.198 30 10 JEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 1136745242 QRIWXFFFOPVRHV-SFTDATJTSA-N 454.571 2.243 30 10 JEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCOC[C@H]1c1nc2ccccc2s1 1155170023 CICAMJRAOSHQDI-KDOFPFPSSA-N 456.549 2.435 30 10 JEEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccnc(OC2CCOCC2)c1 1286362416 BCCSAUXHNDLVPU-XMMPIXPASA-N 455.559 2.389 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 1286383840 ZZCNSOKFSXCKAF-LJQANCHMSA-N 467.551 2.415 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccsc1Br)[C@@H]1CCS(=O)(=O)C1 1286395846 SOMZEQXXFVKVHO-HUUCEWRRSA-N 485.429 2.281 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)CN1CCOCC1 1286452242 LUILLSHEMSRTHA-FQEVSTJZSA-N 468.577 2.261 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCNC(=O)c2ccc(C)c(F)c2)CC1 1286489949 IKOYXJWPVGPXQH-UHFFFAOYSA-N 491.571 2.127 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CC(=O)NC(C)(C)C 1286546693 LDIPBWBQBRGXBZ-LPHOPBHVSA-N 455.563 2.258 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCCCN2CCCC)CC1 1286647096 ZATYTROBUOIEKU-NHCUHLMSSA-N 480.679 2.422 30 10 JEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](Oc2ccccn2)C1 1286688925 UPCXAHMYFTYBDE-MOPGFXCFSA-N 476.603 2.020 30 10 JEEE C=CCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(=O)OCC)CC1 1286707279 BTMASFNIJQRMMC-UHFFFAOYSA-N 477.587 2.220 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccn3C)n2CCNS(=O)(=O)c2ccccc2)C1 1286803848 HMRVGXVKGPDQPH-SFHVURJKSA-N 456.572 2.043 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCCN(C(=O)c2ccccc2F)CC1 1286817329 LXIFIACBGRKUTM-UHFFFAOYSA-N 463.579 2.494 30 10 JEEE CC(C)(C)[S@@](=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1287085502 DPVMHKNLXXARGK-JTYJAPAGSA-N 487.605 2.114 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1Cc1ccc(F)c(F)c1 1288158032 FRWUGSPZBBQBES-HNNXBMFYSA-N 481.511 2.120 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CC(C)(C)N1CCCCC1 1288815764 ADBPKPCHLUKDPF-KRWDZBQOSA-N 451.641 2.283 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2CC[S@@](=O)C(C)(C)C)c1 1300333184 YGXMSPKADOPDPJ-MGBGTMOVSA-N 465.583 2.339 30 10 JEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2ccc(F)c(F)c2)C1 1300383788 HLQPHXNEOULAHW-RDTXWAMCSA-N 453.515 2.158 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1ccc(C(=O)N(CC)CC)cc1)[C@@H]1CCS(=O)(=O)C1 1300487450 JMXPRWVVKHBQMF-OAQYLSRUSA-N 494.621 2.430 30 10 JEEE C#CCN(CC#C)c1nnc([C@H](C)OCCOC)n1C[C@@H]1C[C@@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1300512216 OQLRWBZBJMXNAA-WOZUAGRISA-N 487.601 2.099 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cn4ccccc4n3)n2C[C@@H](CC(C)C)N(C)C)CC1 1300727042 UYZVESJOKQPZAO-HSZRJFAPSA-N 490.656 2.459 30 10 JEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(Br)o1 1300732691 CZQKGXJOMPNPOZ-LBPRGKRZSA-N 476.422 2.247 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](c2ccc(C)cc2)N(C)C)CC1 1301085784 AFUKHMHBWNDZRT-VXKWHMMOSA-N 488.658 2.379 30 10 JEEE C=CCCOCCn1c(-c2cccc(C)n2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1301248659 IUKHTGAPLZGQQZ-UHFFFAOYSA-N 462.558 2.062 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1301503308 YPJGMZZUSAGKIF-NQIIRXRSSA-N 482.585 2.081 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CC2)C1 1301566148 MWRNXDRJQCTBAQ-IBGZPJMESA-N 457.556 2.087 30 10 JEEE COC[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)N2CCOCC2)C1 1315900622 AIMYMAWQFLTOKQ-CTNGQTDRSA-N 454.575 2.312 30 10 JEEE C#CCCCCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1358915617 KAXVJCHPLADPBM-FQEVSTJZSA-N 499.015 2.202 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1cc(COC(C)(C)C)on1)[C@H]1CCS(=O)(=O)C1 1358961500 ADDNCRLRWZRLKC-AZUAARDMSA-N 491.614 2.498 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1ccc(OCCC)nc1)[C@@H]1CCS(=O)(=O)C1 1358965265 RBGHOEKVELVKOO-OAQYLSRUSA-N 480.594 2.123 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1CCc1nnc(C)s1)[C@H]1CCS(=O)(=O)C1 1358967678 PXNMKLSBELATPL-INIZCTEOSA-N 490.586 2.026 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCCCN2CCOCC2)CC1 1359028389 QOMRTSGKWIXCOD-UHFFFAOYSA-N 479.629 2.015 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2cc(C)cc(C)c2)CC1 1359040256 NPFXMKUUMMPSST-UHFFFAOYSA-N 462.598 2.339 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@]2(C)COCCO2)CC1 1359047132 SHTZKABPXKGONY-AREMUKBSSA-N 481.597 2.245 30 10 JEEE C#CCSCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCN(C(C)=O)CC1 1359054690 DDAXBZJDFJYLLY-UHFFFAOYSA-N 479.610 2.100 30 10 JEEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1359055226 WVRCXQIBMWEZGY-UHFFFAOYSA-N 467.643 2.149 30 10 JEEE C=C(C)COCCn1c(CCc2ccccc2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1359135613 JMJVAPZGAAAJLY-QFIPXVFZSA-N 453.587 2.484 30 10 JEEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2cc(C)on2)CC1 1359183712 RRLPNVUHMCFSIH-KRWDZBQOSA-N 465.624 2.109 30 10 JEEE C=CCCCCn1c(CC)nnc1N1C[C@@H]2[C@H](C1)[C@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1359204348 LUCSKIOJDHOJMP-BRWVUGGUSA-N 453.609 2.323 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCN2CCCC2)C1 1359314392 ABPGXPDWQUIQSK-FQEVSTJZSA-N 474.631 2.073 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H]2CCS(=O)(=O)C2)C1 1359317305 GIPORKLLSSLTSH-WMZOPIPTSA-N 462.572 2.178 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1359329768 UCRHDCCLHYWPNB-UZLBHIALSA-N 464.588 2.424 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CC(C)C)CC1 1359329787 UZTFVBJVUDUDQW-UHFFFAOYSA-N 453.012 2.372 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 1359331741 HEFHHRAOIUJIHP-UHFFFAOYSA-N 490.605 2.046 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC(O)(Cc2ccccc2F)CC1 1359336084 FBAGQGYUBORKFH-HXUWFJFHSA-N 478.590 2.444 30 10 JEEE CC(C)C(=O)NC[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N(C)C)C1 1359628325 BEEBUQWOTKWNFK-HXUWFJFHSA-N 481.601 2.196 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)(C)C)n2C[C@H]2CCCS(=O)(=O)C2)c1 1507548254 QHZIYNCJIFNYPB-GOSISDBHSA-N 457.600 2.457 30 10 JEEE C#CCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1507570801 JRTJOQNILHNMFS-QFIPXVFZSA-N 475.553 2.299 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(OC(F)F)c2)n1CC1CCS(=O)(=O)CC1 1507705402 CNYQXGJCLLQFKJ-UHFFFAOYSA-N 468.526 2.457 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCCOC3)n2C[C@H]2CCOC[C@H]2C)n1 1507715763 CMKIOVSXXJAUMJ-NJDAHSKKSA-N 456.591 2.327 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H]2CC(F)(F)CO2)CC1 1507733335 USIYBLJUPUVTQZ-KSZLIROESA-N 480.560 2.228 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ccccc1Cl 1507773499 RUFFPNZVVPXMNO-DENIHFKCSA-N 494.017 2.336 30 10 JEEE C=C(Br)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)CCCC(=O)NC 1507778281 CZPJAEVJKCQWNQ-UHFFFAOYSA-N 498.451 2.418 30 10 JEEE C=C(Br)Cn1c(N2CCN(c3ncccc3C#N)CC2)nnc1[C@@]1(OCC)CCOC1 1507792976 MAWGPLMRRDSMRE-OAQYLSRUSA-N 488.390 2.432 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1507808715 UVOZYWRLAOQHKS-JDPWZNKLSA-N 450.580 2.368 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)NCC)CC1 1507810447 ZNSQQLJSLYXZOY-IEBWSBKVSA-N 461.611 2.029 30 10 JEEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 1507842720 KVYHWZUEHBXQEC-RTWAWAEBSA-N 482.633 2.145 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)N(CC)CC)CC1 1508144036 MVFHQUZDYPXHSN-UHFFFAOYSA-N 488.658 2.362 30 10 JEEE C=CCSCCn1c(N2CCN3C(=O)OC[C@]3(C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1508167376 IIVJMRVUPJDUTO-LEWJYISDSA-N 451.593 2.269 30 10 JEEE CC[C@H](C)[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(C#N)c1)OC 1512753675 BRCWUTQIQLNPDX-YYWHXJBOSA-N 490.630 2.180 30 10 JEEE CC[C@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@H](C)CN1CCN(CC)CC1 1513024181 DYOXHKGQOFZLKI-BHIFYINESA-N 494.692 2.442 30 10 JEEE CCCn1nc(-c2nnc(N(C)C[C@H](C)C#N)n2C[C@@]2(OC)CCOC2)c2ccccc2c1=O 1514983465 FNPHRTPEWFLMEU-OSPHWJPCSA-N 465.558 2.466 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)CC)n2CCN/C(O)=C2\N=CC=CC2=O)c1 1539037089 BMJOSJHINSHTHK-LKWUNZDJSA-N 475.553 2.374 30 10 JEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](OCc2ccccc2)C1 1539071885 GPKYLOYBWRBQCA-VXKWHMMOSA-N 487.626 2.210 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCO[C@@H]2CCCC[C@@H]2C)CC1 1539469640 SVCVDLUMIYIOAD-HXAGEGRHSA-N 487.645 2.491 30 10 JEEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(F)cc1F 1539750814 CSJPNKLXNMFUFU-IBGZPJMESA-N 485.557 2.118 30 10 JEEE C=C(C)COCCn1c([C@H]2CCCCO2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1539750836 DDFFDUYCZCVXLB-OAQYLSRUSA-N 488.633 2.053 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C[C@H]2CCCO2)CC1 1540866446 NNWDRWWJWANRTK-QGZVFWFLSA-N 462.957 2.341 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(N2CCCCC2=O)CC1 1540866969 GYIDIFGNUWPCBQ-UHFFFAOYSA-N 482.585 2.246 30 10 JEEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCCC[C@@H](COC)C1 1540869461 OANUZVVWNWJMCW-MRXNPFEDSA-N 451.531 2.149 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 1540907820 JOCLDQORSXNVQC-RTBURBONSA-N 488.614 2.289 30 10 JEEE COc1ccc(OCc2nnc(N3CC[C@](F)(C#N)C3)n2CC2(S(C)(=O)=O)CCC2)cc1 1554974026 BBRKANQSHLNCLE-FQEVSTJZSA-N 463.535 2.275 30 10 JEEE COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2csc([C@H](C)OC)n2)CC1 1555200773 GQIYCNIHBFVJBN-INIZCTEOSA-N 481.582 2.324 30 10 JEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](CCO)c2cccc(OC(F)(F)F)c2)c1 1570663973 WLHBWGBJROBNFC-GOSISDBHSA-N 456.442 2.350 30 10 JEEE C#CCCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1587712171 OFIUWXMXZYHGKM-DEOSSOPVSA-N 453.543 2.491 30 10 JEEE C#CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1587855864 CVCVFCZJUROFON-FQEVSTJZSA-N 474.606 2.147 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@H](C(C)C)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1588059471 ORNNPMNLYBRTHS-DNQXCXABSA-N 499.681 2.161 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CCCCN1CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1588064112 AQLGTIUGRCQWLT-GGAORHGYSA-N 484.670 2.403 30 10 JEEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1589305122 MTJLWKOUKCZLIG-JSGCOSHPSA-N 457.329 2.180 30 10 JEEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1ccco1 1593746419 DSFFHAMQQDYTJF-MJGOQNOKSA-N 465.576 2.138 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[C@@H](C)N2CCCCC2)CC1 1594241603 VXPXJNYHTXLVNB-TZIWHRDSSA-N 480.679 2.278 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1594497193 BWMVEDDSSPCFLQ-RTBURBONSA-N 496.678 2.098 30 10 JEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(c2cccc(OC)c2)CC1 1595405434 PIIARPSFRDCMNB-HXUWFJFHSA-N 461.588 2.190 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N(C)CCN1CCOC(C)(C)C1 1595516796 JBCMZEHTXWRWCR-UHFFFAOYSA-N 463.586 2.343 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1595785322 XBFPIBXVQLXCDL-UHFFFAOYSA-N 459.494 2.232 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1595812505 WMARLRAQIOXLKD-UHFFFAOYSA-N 486.642 2.094 30 10 JEEE C=CCSCCn1c(-c2cccnc2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1595866683 UAWRMHZNFIGDQF-UHFFFAOYSA-N 468.587 2.316 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@@H](C)N(C)C 1613585850 CJKPSPIVKMBRGX-GOSISDBHSA-N 452.607 2.345 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@]1(O)CCC[C@@H]1C 1613588371 GTKGDURSUGODFK-DPOKWSEZSA-N 495.632 2.124 30 10 JEEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1Cc1ccc(C[S@@](C)=O)cc1 1614028413 CNEQRCCONSNBNV-UAIZEJDJSA-N 464.599 2.144 30 10 JEEE CCO[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1616593182 AONSGZILYJSLEA-QUCCMNQESA-N 458.588 2.104 30 10 JEEE C=C(C)[C@@H](NC(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1)c1ccc(F)c(F)c1 1632116465 WNGJJZUUKKZONL-LJQANCHMSA-N 453.515 2.468 30 10 JEEE N#Cc1ccc(O[C@H]2CCN(C(=O)CS(=O)(=O)c3cccc(Br)c3)C2)nc1 1641702092 BOYNDPRPLDCCGM-HNNXBMFYSA-N 450.314 2.169 30 10 JEEE C#C[C@@H](NS(=O)(=O)c1ccccc1S(=O)(=O)NCC)c1ccc(Br)cc1 1669427139 KPXPUVMRVFDQPF-OAHLLOKOSA-N 457.371 2.400 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1Cc1cn(C2COC2)nn1 1689841515 IFFDIGOHFNPYNW-CYBMUJFWSA-N 472.347 2.385 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1CCN(C2CC2)C1 1690000141 SLTRHENYQAVLIG-LJQANCHMSA-N 450.974 2.419 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(C)cc2SC)CC1 1690134847 HZPAYEGOSYQBTR-UHFFFAOYSA-N 468.627 2.461 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@](C)(O)C2CCCCC2)CC1 1690138165 UIIYSZPPNVMVKS-CLJLJLNGSA-N 487.645 2.227 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2Cc2conc2COC)CC1 1690148758 SHSAKMIHOLZYNI-UHFFFAOYSA-N 478.553 2.026 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1CCS(=O)(=O)c1ccccc1 1690216617 RCAUVCKQQVGFJV-GREBRCKQSA-N 458.584 2.468 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC2CCCC2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1690250587 JFKCVEDUHNODNC-CUWPLCDZSA-N 451.637 2.462 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1C[C@@H](C(=O)OC)[C@H](CNC(=O)OC(C)(C)C)C1 1690313120 LQMCOUXOGFYCBS-GUDVDZBRSA-N 493.605 2.125 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cc3c(cc2OC)C[C@H](C)O3)C1 1690685940 GKKBMNJUZJKUEB-TXPKVOOTSA-N 491.614 2.050 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(OC)c(F)c2)C1 1690700763 XKTZRFUONSTVSX-SJORKVTESA-N 450.536 2.158 30 10 JEEE CC(=O)NC1CCC(N(C)c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCOCC2)CC1 1690891144 DVQWVBXCAKISCY-UHFFFAOYSA-N 452.559 2.242 30 10 JEEE CC(C)(O)CCn1c(CN2CCCC2=O)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1691358946 AHGGGFUJGNGLHR-UHFFFAOYSA-N 465.602 2.145 30 10 JEEE CCOC[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1696360990 AVPORGMQQGTEGH-WOJBJXKFSA-N 472.615 2.351 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(F)cc2Br)n1CC1(O)CCS(=O)(=O)CC1 1705484072 IKYVQUXZLUYBNT-ZDUSSCGKSA-N 485.379 2.244 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(C)(C)N1CCC(OC)CC1 1705486049 VSQFBJDMFVKQNL-SFHVURJKSA-N 463.590 2.268 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@](C)(O)c2ccsc2)c1 1705505582 QLSLEIJDWOZEML-DVECYGJZSA-N 478.578 2.255 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccsc3)n2CCC(=O)N2CCOCC2)c1 1705508143 QMGOIKFDFWRYNK-UHFFFAOYSA-N 492.605 2.236 30 10 JEEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1705539869 GAXWKFGJRQFJLU-QHAWAJNXSA-N 456.635 2.353 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1CCCN1CCCO 1705581409 ATVAQWNJCJZDCO-VXKWHMMOSA-N 484.645 2.312 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(OCC=C)cc2)CC1 1705632362 NNLCEKFVAPUGBA-UHFFFAOYSA-N 457.538 2.294 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(C)(C)c2ccc(F)cc2)CC1 1705639714 UWCKJOAFEGXLCI-GOSISDBHSA-N 459.591 2.052 30 10 JEEE C=C(Br)Cn1c(-c2noc3c2COCC3)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1705685227 RQZWEPXGVVFKEE-VXGBXAGGSA-N 474.381 2.172 30 10 JEEE C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN([C@@H](C)C(=O)NCCCOC)CC1 1705722976 SPGUGVFGEKHNCA-INIZCTEOSA-N 494.438 2.275 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cccc(OC)c2OC)CC1 1705782190 QKXUMWOVTRGPHU-FQEVSTJZSA-N 491.614 2.079 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(O)CC(OCC)C1 1705860812 WOUAZPWIGBJDOE-MFMCRYCZSA-N 485.610 2.174 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)N2CCCC2)CC1)C(C)C 1705867564 PZHDWVOQDCELEL-FCHUYYIVSA-N 498.676 2.266 30 10 JEEE C=CCN(CCOC)c1nnc(-c2ccc(F)cc2Br)n1Cc1nnn(C)n1 1705882594 CUZHMTJZJPIDLI-UHFFFAOYSA-N 451.304 2.057 30 10 JEEE C=CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1705886967 IVTQSWGFDLMLCE-IBGZPJMESA-N 454.575 2.394 30 10 JEEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1705897078 FQYKACQWMQDBMQ-OAQYLSRUSA-N 465.602 2.460 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(C(C)C)CC1 1705902567 HJVTYSIBXAPMKE-IBGZPJMESA-N 475.638 2.225 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N(C)C1CCC(NC(C)=O)CC1 1705931362 NLLJNDHREBYEQM-UHFFFAOYSA-N 475.615 2.438 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1705938082 MJIPSBWWQNFVNX-WOJBJXKFSA-N 473.599 2.014 30 10 JEEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 1705943249 SJWXNVRHZIYLQE-NRFANRHFSA-N 453.616 2.453 30 10 JEEE C[C@H]1COCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(NS(C)(=O)=O)CC1 1708250061 HBCKDMVXUPBCDC-QFBILLFUSA-N 458.588 2.007 30 10 JEEE CN(CCC(F)(F)F)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1711171615 CSPUVWQLPMFZJE-INIZCTEOSA-N 486.520 2.399 30 10 JEEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(C)n(C)c2=O)C[C@@H]1C 1712478743 GVHIKOVHBKSING-IBGZPJMESA-N 461.570 2.029 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3noc4c3COCC4)n2C[C@H](C)OC)c1 1722310039 RQFBECUYFOBUNS-HNNXBMFYSA-N 450.499 2.097 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccc(OC(F)F)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1722362094 RZWQARJATHDFNM-MRXNPFEDSA-N 494.499 2.094 30 10 JEEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1ccc(N2CCN(CC)CC2)nc1)[C@H]1CCS(=O)(=O)C1 1722365403 NPZPWBNUNSPTJJ-UNMCSNQZSA-N 499.685 2.004 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1CCCOc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1722369108 YQBZCFDTKLDSCY-PMACEKPBSA-N 458.584 2.186 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCN1CCCCC1=O 1722384077 MJYOSVXDSNOACL-HXUWFJFHSA-N 484.601 2.062 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@@H](C)N2CCOCC2)CC1 1722432641 ZSGLXMRBEWDTLS-WOJBJXKFSA-N 456.566 2.033 30 10 JEEE C=C(Br)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1722480877 VANODWLOKYSJNJ-DOTOQJQBSA-N 494.415 2.314 30 10 JEEE C=C(Cl)Cn1c(CCOc2ccccc2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1722555637 XHHYUOPAMXNFNJ-JOCHJYFZSA-N 458.950 2.467 30 10 JEEE C=CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(C(N)=O)CCOCC1 1722641656 XWPPPDMXRGSOAR-KRWDZBQOSA-N 462.595 2.297 30 10 JEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)N(CC)CC)CC1 1722685955 NLCWSLIQFFLODP-SFHVURJKSA-N 477.610 2.356 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](c2nc(C)cs2)C1 1722728171 QZCMPRRZHISDMQ-INIZCTEOSA-N 461.617 2.428 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCO[C@H](C(C)(C)C)C1 1722729778 XBQSJDMLVKFODW-KRWDZBQOSA-N 453.634 2.486 30 10 JEEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1728259728 AYFGLLQAJFEGOM-UHFFFAOYSA-N 479.570 2.002 30 10 JEEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC1([S@](C)=O)CC1 1740561217 YXDBAMALFGPYSK-WEZXKFLESA-N 454.644 2.012 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2C[C@H]2CCCN2CCCO)c1 1740561345 CIBJKJINGHFYTQ-JOCHJYFZSA-N 475.597 2.187 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CC(O)(CC)CC)[C@@H]1CCS(=O)(=O)C1 1740624641 JDZNPSSSDOWBGC-MRXNPFEDSA-N 466.554 2.325 30 10 JEEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1C[C@]1(N(C)C)CCSC1 1740659136 UWJLTEGGRTWEEH-JOCHJYFZSA-N 456.641 2.170 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H]2CCCN(C(C)C)C2)CC1 1740700943 OIBNKNBZBBXYEJ-FQEVSTJZSA-N 485.677 2.283 30 10 JEEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCNS(=O)(=O)c1ccccc1 1740899924 QUMPNSLPVPAYPE-UHFFFAOYSA-N 482.614 2.053 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1740964265 MQWUHGJUBDNBLY-FQEVSTJZSA-N 469.521 2.093 30 10 JEEE C=CCNC(=O)Cn1c(N2C[C@@H](O)CC3(CCCC3)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740966546 ZHJNEIHOGBGISJ-OTWHNJEPSA-N 488.633 2.482 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C)C(=O)[C@H]1C 1740971573 ZMKFLKZOMWXOFF-LMNJBCLMSA-N 455.559 2.282 30 10 JEEE C[C@]1(C#N)CCCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1741983085 FPYMOYWELNWIMI-NHCUHLMSSA-N 463.991 2.202 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CC1(O)CC1)[C@@H]1CCS(=O)(=O)C1 1748806037 YZMGVDJNWRUPPB-RTBURBONSA-N 458.584 2.187 30 10 JEEE C#CCN(c1nnc(CCOc2ccccc2)n1C[C@@H]1CCCN1CC)[C@H]1CCS(=O)(=O)C1 1748820491 COLYQLYIUJPRQT-SFTDATJTSA-N 471.627 2.011 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1748888134 OHCPNQSZYFYXHQ-RBUKOAKNSA-N 454.575 2.339 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCN(CC)S(C)(=O)=O 1748938934 JHYWYGOGFAFRSQ-SFHVURJKSA-N 482.651 2.481 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H](C)N1CCN(CC)CC1 1748950956 RGHSXRZEAWHYSQ-KRWDZBQOSA-N 478.439 2.148 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCN2CCC[C@@H]2C)CC1 1749001561 WQFCRCTZEKMCTP-PCCBWWKXSA-N 471.650 2.288 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(CC)cc3)n2CC(=O)NCc2ccco2)CC1 1749006540 RAZUYLPQWZTCTD-UHFFFAOYSA-N 474.565 2.383 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@]2(O)CCC[C@@H]2C)CC1 1749019278 RFTGXJZHRHVFJD-SIBVEZHUSA-N 481.597 2.383 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1749056357 FVHUGNSZOLTIQY-FOIQADDNSA-N 495.447 2.320 30 10 JEEE C=C(Br)Cn1c(Cn2ccc3ccccc32)nnc1N1CCO[C@H](C(=O)NC)C1 1749109320 HXGAIDQKFAPUOK-KRWDZBQOSA-N 459.348 2.141 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(CCO)Cc1ccccc1OC 1749127129 JXTGPLPTOHKXSD-DXIQSLLYSA-N 455.559 2.218 30 10 JEEE C=C(Cl)Cn1c(COc2ccc(OC)cc2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1749280392 JFVRGKPJXZAWKO-LJQANCHMSA-N 474.949 2.385 30 10 JEEE C=CCCCn1c(Cc2csc(C)n2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1749433486 LOYQHFCWBGROBZ-UHFFFAOYSA-N 477.616 2.240 30 10 JEEE C=CCN(CCOC)c1nnc(-c2cccc3cccnc23)n1C[C@H]1CCN(S(C)(=O)=O)C1 1749594956 VQERAWQHGUFRRM-SFHVURJKSA-N 470.599 2.414 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCO[C@@H](c2ccco2)C1 1749679738 AEHDPGIYYAXHJW-HXUWFJFHSA-N 453.499 2.339 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1749682166 PAGHIYJQUDLFPT-ICSRJNTNSA-N 498.632 2.455 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1749721623 PLTSCYKEMVJZKM-DLBZAZTESA-N 471.624 2.122 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCNC(=O)[C@@H]1CC 1749726177 YYCWORHANURNLF-QAPCUYQASA-N 482.006 2.387 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1749738614 RWKUJEURPCHVTG-NHCUHLMSSA-N 460.600 2.048 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1CCCNS(C)(=O)=O 1760123068 XTGVBOKNJSRIOJ-CQSZACIVSA-N 470.393 2.017 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CCC(=O)N[C@H](C)CC)c1 1760125744 LBLGCGZGVQNOAG-QGZVFWFLSA-N 462.558 2.040 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCCO3)n2C[C@](C)(O)CCOC)c1 1760128346 GEHKEAFEMSFQDH-GBXCKJPGSA-N 455.559 2.363 30 10 JEEE C#CCN(c1nnc([C@H]2COc3ccccc3O2)n1C[C@@H](C)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1760186022 IXUJVKGUVVALOT-WOIUINJBSA-N 487.626 2.148 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCCOC(F)F)CC1 1760251938 LKWYDYHARRSPFL-UHFFFAOYSA-N 466.920 2.246 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCO[C@H]1C(C)C 1760337315 PNLPTZPUZYDTKV-FHWLQOOXSA-N 455.625 2.075 30 10 JEEE C=C(C)Cn1c(COc2ccc(OC)cc2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1760347873 DBPRJMRGTBUCFL-GOSISDBHSA-N 461.588 2.446 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)c2nccs2)CC1 1760389310 HYLWUWWHIMOOEC-HZPDHXFCSA-N 452.606 2.028 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1CCN1CCN(C)C(C)(C)C1 1760479707 XRZNWGPBWURVQP-JOCHJYFZSA-N 476.629 2.319 30 10 JEEE CC[C@H](C)NC(=O)CCn1c(N2CCN(c3nccnc3C#N)C[C@@H]2C)nnc1C(C)(C)C 1762056411 GENJHOHWWXRATE-IRXDYDNUSA-N 453.595 2.257 30 10 JEEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCC[C@@H](C)C2)CCN1S(C)(=O)=O 1762914441 BUJKUDZETOGAQZ-MOPGFXCFSA-N 471.631 2.019 30 10 JEEE CCn1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(S(=O)(=O)CC)CC2)cn1 1765333911 BCJFUNOUTROLLX-UHFFFAOYSA-N 483.598 2.397 30 10 JEEE COc1cc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCN2CCOCC2)cc(OC)c1OC 1769816786 FNQDDDSYQVGWIA-HSZRJFAPSA-N 474.537 2.135 30 10 JEEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1862762209 DOOUEQOWZDSQRQ-WLRWDXFRSA-N 485.405 2.233 30 10 JEEE CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)NC(=O)C2CCN([C@@H](C#N)c3cccs3)CC2)C1 1868781828 AUFCBYGSUYHUFH-QRQLOZEOSA-N 460.600 2.331 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)COc2cn(CCC)c(CN(CC)CCO)cc2=O)nc1C 1870323376 OEVZLXXWFGACKY-UHFFFAOYSA-N 492.598 2.198 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCCCN2C(=O)c3ccccc3C2=O)cn1CCO 1870376430 NGBYROMCHWAENE-UHFFFAOYSA-N 451.523 2.080 30 10 JEEE C#CCOc1cn(Cc2ccc(S(N)(=O)=O)cc2)c(CNc2ccc(F)c(F)c2)cc1=O 1871008087 GJISCTHPBULERL-UHFFFAOYSA-N 459.474 2.446 30 10 JEEE C=CCN=c1nc(N2CCN(c3ccccc3OC)CC2)[nH]c(=Nc2ccc3c[nH]nc3c2)[nH]1 1871699510 FISGSZZUBXQMLT-UHFFFAOYSA-N 457.542 2.268 30 10 JEEE COc1ccc2c(c1)c(/C=N/n1c(SCC(=O)NC3CCCC3)nnc(C)c1=O)c(C(=O)O)n2C 1873495388 RACZQTIVCYWHJZ-BHGWPJFGSA-N 498.565 2.178 30 10 JEEE COc1ccc(N2C[C@H](c3nnc(SCC(N)=O)n3/N=C/c3cccc([N+](=O)[O-])c3)CC2=O)cc1 1874198977 BQKPEFPKGPPGQZ-SWKNLOBNSA-N 495.521 2.175 30 10 JEEE COc1ccc(-c2cc(C(=O)N3CCC(OCC#CCN4CCN(C)CC4)CC3)no2)cc1OC 1890578676 AXTNTIMCOLCHML-UHFFFAOYSA-N 482.581 2.231 30 10 JEEE C[C@H](CNC(=O)C#CC(C)(C)NC(=O)OC(C)(C)C)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 2222518467 CCVAVFVQZPZAOH-MWTRTKDXSA-N 453.580 2.417 30 10 JEEE CN(CCN(C)C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1)C(=O)OCc1ccccc1 2247913769 AKBQYKUTWVVARA-UHFFFAOYSA-N 456.352 2.060 30 10 JEEE C[C@H](CNC(=O)OC(C)(C)C)NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2255747278 IGEVUPPASJXJPR-CYBMUJFWSA-N 458.361 2.316 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1[C@@H]2CN(S(=O)(=O)c3cc(B4OC(C)(C)C(C)(C)O4)cs3)C[C@@H]21 2255748390 BMEBPPIXZFWUPO-FOLVSLTJSA-N 470.422 2.191 30 10 JEEE Cc1sc(C)c(S(=O)(=O)NCCONC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2255778009 MBHQWXDOPVODBC-UHFFFAOYSA-N 476.426 2.399 30 10 JEEE CC(C)(C)OC(=O)N1CC(O)(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2Cl)C1 2267002876 HCPHJJKPTWVWCG-UHFFFAOYSA-N 466.771 2.351 30 10 JEEE CC(C)(C)OC(=O)N=c1[nH][nH]cc1CNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2267368224 FZVDGKOOQKXKKA-UHFFFAOYSA-N 484.409 2.018 30 10 JEEE CCn1cc(C(=O)NCCCN(OC)C(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2267492167 PAUBWEGRHGNVFZ-UHFFFAOYSA-N 452.361 2.121 30 10 JEEE CO[C@H]1C[C@@H](CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)N(C(=O)OC(C)(C)C)C1 2267555678 QRQFGIBWGZAPRP-GJZGRUSLSA-N 450.341 2.333 30 10 JEEE CC(C)(C)OC(=O)NCC(=O)NCC(=O)Nc1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2268635944 XKTUWOKQJNQXEN-UHFFFAOYSA-N 467.759 2.219 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](C(=O)O)N(c2nccc(B3OC(C)(C)C(C)(C)O3)c2F)C1 2280755973 ARAUXEAFZZQLAM-HIFRSBDPSA-N 465.331 2.467 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC2(CN(C(=O)OC(C)(C)C)C2)C1 2282056170 OITUCYNGOWXFBB-UHFFFAOYSA-N 460.384 2.111 30 10 JEEE Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCC1(O)CN(C(=O)OC(C)(C)C)C1 2282109117 GYQWQYUEJQYPBM-UHFFFAOYSA-N 460.380 2.396 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CC[C@H](NC(=O)C(F)(F)F)C[C@@H]1C 2282110011 LVGWYYVSNAHYTA-ZFWWWQNUSA-N 457.302 2.479 30 10 JEEE CN(Cc1ccccc1)[C@@]1(CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)CCOC1 2282185934 NPLNPRSVOJIBRI-RUZDIDTESA-N 451.376 2.402 30 10 JEEE CC(C)(C)OC(=O)N1CC(F)(CNS(=O)(=O)c2ccc(F)cc2B2OC(C)(C)C(C)(C)O2)C1 2282504408 OJRTYXMEPUCFDA-UHFFFAOYSA-N 488.362 2.362 30 10 JEEE CC(C)[C@@H]1[C@@H](NC(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2282530907 BDIAKAGJNFDXLU-FUHWJXTLSA-N 462.400 2.483 30 10 JEEE CC[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282534254 DUJKIZABUUOUOH-RDJZCZTQSA-N 462.400 2.485 30 10 JEEE CCn1cc(C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C(F)(F)F)nc1B1OC(C)(C)C(C)(C)O1 2282541224 VBODGENXYMZUMN-ZDUSSCGKSA-N 476.305 2.388 30 10 JEEE Cn1nc(C(=O)NC[C@H]2COCCN2Cc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2282549226 HKJAOWWICCRFCQ-KRWDZBQOSA-N 474.798 2.004 30 10 JEEE Cn1cc(C(=O)NC[C@@H]2C[C@@H](NC(=O)OC(C)(C)C)C2(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2282584700 WIUCNSPCAMGJKW-GOEBONIOSA-N 462.400 2.389 30 10 JEEE CC(C)(C)OC(=O)NCCO[C@H]1CCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2282668779 KEWSLEPPJDBCLS-KRWDZBQOSA-N 461.368 2.137 30 10 JEEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCc1ccccc1NC(=O)OC(C)(C)C 2282700286 OVISLDDRWDZABX-UHFFFAOYSA-N 457.340 2.391 30 10 JEEE CC1(C)OB(c2cc(C(=O)NC3[C@@H]4CN(Cc5ccccc5)C[C@@H]34)c(O)cc2O)OC1(C)C 2282986264 OHDSELFIWWVNOT-QZTJIDSGSA-N 450.344 2.257 30 10 JEEE CC(C)(C)OC(=O)N1CCCC[C@@H]2[C@H](NC(=O)c3nccnc3B3OC(C)(C)C(C)(C)O3)[C@@H]21 2283060582 JLRAKZPHYSCNRJ-HLLBOEOZSA-N 458.368 2.294 30 10 JEEE CC1(C)OB(c2cccc(F)c2C(=O)NCCN(CC(=O)O)Cc2ccccc2)OC1(C)C 2284470822 HAYIQKDOMFGEND-UHFFFAOYSA-N 456.323 2.442 30 10 JEEE Cc1sc(C)c(S(=O)(=O)N2CCC(NC(=O)C(F)(F)F)CC2)c1B1OC(C)(C)C(C)(C)O1 2286120941 OUZFREVEIBLPJU-UHFFFAOYSA-N 496.382 2.496 30 10 JEEE C=CC1(N[C@@]2(C(=O)O)[C@H](NC(=O)OC(C)(C)C)COC2(C)C)CN(C(=O)OC(C)(C)C)C1 2326241770 OGADVBUFSZPFLP-JLCFBVMHSA-N 455.552 2.277 30 10 JEEE CC(C)(C)OC(=O)N[C@]1(C(=O)N2CC[C@@](C)(B3OC(C)(C)C(C)(C)O3)C2)CCS(=O)(=O)C1 2342479987 MKSRXNZCCAQUKW-NHCUHLMSSA-N 472.413 2.153 30 10 JEEE CNC(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)[C@@H]1C[C@H]1B1OC(C)(C)C(C)(C)O1 2343295403 OGBUUCMLOMMQKG-BZUAXINKSA-N 451.373 2.053 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CC12CC2 2361527415 MZTGGNQADCRMLM-OAHLLOKOSA-N 460.384 2.096 30 10 JEEE CC(C)(C)OC(=O)N1CC(F)(F)[C@@](C)(NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2361545796 VBTVFNXLUDMOSL-FQEVSTJZSA-N 468.310 2.150 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC(C)(CNC(=O)OC(C)(C)C)CC1 2362349903 LPHNXCBUGLPRPI-UHFFFAOYSA-N 462.400 2.486 30 10 JEEE CC1(C)OB(c2ccc(CS(=O)(=O)N[C@@H](CCO)COCc3ccccc3)cc2)OC1(C)C 2369621451 NANHWMAHENAHNG-QFIPXVFZSA-N 475.416 2.373 30 10 JEEE CCCCCCCCCCOC(=O)C[C@H]1C(=O)NCCN1C(=S)NC(=O)CCC(=O)OC 100227142 LRZPYSSLLFDDHF-KRWDZBQOSA-N 471.620 2.215 30 10 JEEE Cc1ccc(N2C(=O)/C(=C\c3ccc(CN(CCC#N)S(C)(=O)=O)o3)C(=O)NC2=S)cc1C 206953170 QVVWRKPNVWEIEZ-UNOMPAQXSA-N 486.575 2.403 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)N(C)CC(=O)N3c4ccccc4NC(=O)C[C@H]3C)cc2C1=O 514528621 RBHKNSIDUBIALG-OAHLLOKOSA-N 460.490 2.305 30 10 JEEE CCCCCCCCO[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1NC(C)=O 575124570 MKWRBOCGIQFSER-CSEOROSGSA-N 459.536 2.020 30 10 JEEE C#CCn1nc(CNC(=O)c2cc(-c3cc(OC)c(OC)c(OC)c3)[nH]n2)c2ccccc2c1=O 585170553 KUSNPRIFADBBCC-UHFFFAOYSA-N 473.489 2.376 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)c(C#N)c3)C2)CC1 728583749 CLUAZOSFBBKQJS-INIZCTEOSA-N 480.562 2.177 30 10 JEEE C=CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCNC(=O)[C@@H]1CC(=O)O 757248824 KYXLYWZQYNPNFR-VXKWHMMOSA-N 477.517 2.272 30 10 JEEE C=CCNS(=O)(=O)c1cccc(C(=O)O[C@H](C)C(=O)Nc2cc(C(=O)OC)ccc2C)c1 820844488 HRZVUPDAKZLNSC-OAHLLOKOSA-N 460.508 2.430 30 10 JEEE COc1ccccc1C(=O)N[C@@H](CCSC)C(=O)N1CCN(c2cnccc2C#N)CC1 1160050638 DRXRYPVNAXMBEH-IBGZPJMESA-N 453.568 2.162 30 10 JEEE C[C@@H](NS(=O)(=O)c1cc(Br)cc(C#N)c1)[C@@H](C)C(=O)Nc1ncccc1O 1193729514 FULABOZEGZCRKP-GHMZBOCLSA-N 453.318 2.363 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@]1(N(C)C)CCSC1 1286279819 QDSMWQRHLWPZDB-VGSWGCGISA-N 476.672 2.091 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCS(=O)(=O)CC=C 1286290154 QHHZIPFJWIUGDY-KRWDZBQOSA-N 468.583 2.295 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccc(OC)cc1)N1CCCC1 1286298149 GEGKGPRKVMOLMA-DWLFOUALSA-N 471.627 2.484 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC(=O)NC(C)C)CC1 1286492862 QFKHJPGJUZWHHO-UHFFFAOYSA-N 472.977 2.001 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(NC(N)=O)cc2)CC1 1286493000 DIQRJYIURDHGGR-UHFFFAOYSA-N 492.609 2.139 30 10 JEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(c2ccc(O)cc2)CC1 1286495659 BPDYGWTZHPIVAE-MRXNPFEDSA-N 463.629 2.344 30 10 JEEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC2(CCC2)C[C@H]1CC 1286710868 FIVBLZQAQHPORB-RTBURBONSA-N 467.636 2.363 30 10 JEEE C=CCN(Cc1cccs1)c1nnc(CNC(=O)c2cccs2)n1CC(=O)N1CCOCC1 1286749842 FJGCOLFEEMGYQE-UHFFFAOYSA-N 486.623 2.383 30 10 JEEE C=CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C 1286769263 PAMLUSAQMYJAIE-SFHVURJKSA-N 462.595 2.439 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCS[C@H](C(C)C)C1 1286782152 LXKYXXHCFCYSCG-SFHVURJKSA-N 463.629 2.229 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(F)c(C(F)(F)F)c1 1286787655 HUBCDBDDTOASBE-AWEZNQCLSA-N 489.495 2.277 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CN(CC(C)C)CCO2)C1 1286811162 AILKVMQHAKZONZ-FCHUYYIVSA-N 457.623 2.278 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CC[C@](C)(C(=O)NC)C2)nnc1C1(c2ccccc2)CCC1 1286825508 RKYIPTJZBGCSRH-QHCPKHFHSA-N 471.627 2.311 30 10 JEEE C#CC1(NC(=O)CCc2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2CC)CCCC1 1288259348 LLMDLXORXSHOGH-UHFFFAOYSA-N 458.584 2.072 30 10 JEEE CN(C[C@H]1CCCOC1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCS(=O)(=O)C1 1298559712 GNAYSBIPXUZZQY-MOPGFXCFSA-N 459.572 2.026 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(CC)CC)n2CC2(C)COC2)c1 1300331328 IWKZBLFBSFAWON-UHFFFAOYSA-N 452.559 2.289 30 10 JEEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@H]1c1nncn1C 1300345489 YNXOSTQIHNFLNH-HXUWFJFHSA-N 482.614 2.469 30 10 JEEE C#CCCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1300352043 DWVKGDXNOVDBAS-LJQANCHMSA-N 466.542 2.239 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCC1CCN(CC)CC1)[C@@H]1CCS(=O)(=O)C1 1300496912 WJEUBERQTXCGQB-NHCUHLMSSA-N 463.648 2.268 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1Cc1ccc(N2CCOCC2)nc1 1300513691 ZJPQUDBIYBEBHK-UHFFFAOYSA-N 494.397 2.399 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1csc2ccccc12 1300537730 JMWDIXHTNMDOPL-HXUWFJFHSA-N 483.619 2.141 30 10 JEEE C#CCSCCn1c(Cc2ccsc2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1300767245 TYQKIXHSOQDYQL-IBGZPJMESA-N 472.684 2.430 30 10 JEEE C#CCSCCn1c(N2CCN(C(=O)c3cccc(F)c3)CC2)nnc1[C@]1(OCC)CCOC1 1300777842 FADWDAAGRXRYQD-DEOSSOPVSA-N 487.601 2.398 30 10 JEEE C=CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC(NC(=O)COC)CC1 1301218373 NRGGAQROWKWWIA-UHFFFAOYSA-N 479.585 2.373 30 10 JEEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(C)n2)n1CC1(O)CCS(=O)(=O)CC1 1301410342 CFQJCFMECYTODW-UHFFFAOYSA-N 471.583 2.416 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@@H](Cn2cccn2)C1 1301490211 NFULHSVANHVXLM-MRXNPFEDSA-N 459.913 2.142 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)c2ccco2)CC1 1301576849 HQQCWUSWXLHQSY-UHFFFAOYSA-N 485.566 2.110 30 10 JEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](c2ccnn2C)C1 1301612943 RYVXIYKAQCHKRK-DLBZAZTESA-N 450.634 2.217 30 10 JEEE C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 1307651139 GIXROHDULBGDJN-NQIIRXRSSA-N 459.566 2.476 30 10 JEEE C#CCN(C(=O)NCCCN(C)S(C)(=O)=O)[C@H]1CCOc2ccc(Br)cc21 1313003744 BVIBMBYIHBWXTI-INIZCTEOSA-N 458.378 2.199 30 10 JEEE CCNC(=O)C1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@H](C(=O)OC)C2)CCC1 1313979410 DWCYFOXWHHMFLL-IBGZPJMESA-N 480.569 2.425 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2ccc(C)o2)n1CC1(O)CCS(=O)(=O)CC1 1316085710 DVPJDTOIIONSED-UHFFFAOYSA-N 499.593 2.311 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCC(C(F)(F)F)CC1 1358889863 HWWLXCGLWUCNRZ-RDHHWEPZSA-N 477.553 2.438 30 10 JEEE C#CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)CCN1CCOC(C)(C)C1 1358908295 SAHQLWFPEVMSBC-UHFFFAOYSA-N 463.590 2.271 30 10 JEEE C#CCN(c1nnc([C@@H](CC)c2ccccc2)n1Cc1nncn1CC)[C@H]1CCS(=O)(=O)C1 1358956110 ANBOBRGZMLAEIL-PMACEKPBSA-N 467.599 2.106 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCN1C[C@@H](C)C[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1358967179 FQTLTSSVMSXQML-PLACYPQZSA-N 463.648 2.124 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1C[C@@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1358978285 IJGJQDPYMNYJIW-CGXNFDGLSA-N 469.586 2.269 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cn(C)c3ccccc23)n1CC1(CS(C)(=O)=O)CC1 1359022964 SUPNQTKLZNOGQR-UHFFFAOYSA-N 455.584 2.348 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1CCNC(=O)c1cccs1 1359025615 UIMJDRGEXQAOFY-LJQANCHMSA-N 467.551 2.368 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2CCn2ccnc2C)CC1 1359031394 ZZECWEJDKBDEBM-UHFFFAOYSA-N 457.380 2.006 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CCNC(=O)OC(C)(C)C)CC1 1359044117 VXNDCNVWMIJDOC-UHFFFAOYSA-N 467.574 2.139 30 10 JEEE C#CCSCCn1c(-c2ccc(C)o2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1359052209 YCSIDGODKXAXGW-UHFFFAOYSA-N 451.556 2.033 30 10 JEEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1359059284 ICMULOOWQRECGW-QGZVFWFLSA-N 482.701 2.108 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc3c(c2)OCCO3)n1CCCNS(=O)(=O)CC 1359068092 NOUBOPCSADQUTN-JOCHJYFZSA-N 459.572 2.038 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccc2F)nnc1N1CCN(CC(=O)NCC)CC1 1359094496 BTHDREUBGFOOBQ-XMSQKQJNSA-N 456.566 2.324 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC1CC(OC(C)(C)C)C1 1359240291 KQLLIVBOXIWDJT-ABHNRTSZSA-N 455.625 2.217 30 10 JEEE C=CCSCCn1c(N2CCC([C@@H]3NC(=O)N(C)C3=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1359346782 WAXQYIPLHXVQSH-FDDCHVKYSA-N 492.646 2.005 30 10 JEEE CC(C)(O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1359599167 CCHOXQHTAJEMBG-UHFFFAOYSA-N 495.609 2.103 30 10 JEEE C#C[C@@H](CC)NC(=O)c1ccc(S(=O)(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 1448960436 FZISRSVGGDEPDV-SFHVURJKSA-N 452.536 2.427 30 10 JEEE CCOC(=O)CNC(=O)[C@@H]1COCCN1C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 1467491916 AJGQZOJHMQXXMA-IBGZPJMESA-N 455.442 2.010 30 10 JEEE C#CCN1CCC[C@@H](NC(=O)[C@@H](CCS(C)(=O)=O)Cc2cccc(Br)c2)C1 1471832878 KZGDOFWLCNNWTE-PKOBYXMFSA-N 455.418 2.256 30 10 JEEE CN(C)CCN(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccccc1S(=O)(=O)C(F)F 1474838961 DQXPUASHSOMNFF-UHFFFAOYSA-N 457.524 2.307 30 10 JEEE CCN(CCCn1c(-c2ccccc2OC)nnc1N1CC[C@](F)(C#N)C1)S(C)(=O)=O 1502180078 BFWVRSLEZWQNEX-FQEVSTJZSA-N 450.540 2.067 30 10 JEEE CO[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1)C(C)C 1504001784 FJVFZKUATAUSOO-VQTJNVASSA-N 461.588 2.413 30 10 JEEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@H](COCCOC)C1 1507583240 OMVSBFFENPWVKD-SFHVURJKSA-N 450.543 2.095 30 10 JEEE C#CCN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC(=C)Cl)[C@H]1CCS(=O)(=O)C1 1507623224 PWSQDTPMKYZVMP-KRWDZBQOSA-N 482.393 2.241 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@@H]1CCC=CO1)[C@@H]1CCS(=O)(=O)C1 1507634295 JLLOKXMOYRRXCK-UXHICEINSA-N 456.568 2.197 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCNC(=O)OC(C)(C)C)CC1 1507730540 SJULBCNJZIWPHE-FQEVSTJZSA-N 468.558 2.071 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)cc2OC)n1CCS(=O)(=O)NC(C)C 1507763439 VHCPYZLKQREGTH-JOCHJYFZSA-N 461.588 2.282 30 10 JEEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2c(CC)nn(C)c2Cl)CC1 1507831996 JMVHQKLTYUBPSG-MRXNPFEDSA-N 482.054 2.028 30 10 JEEE C=CCN(c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@]1(O)CCS(=O)(=O)C1)C1CC1 1507992667 DAWRZRRBIYTKGQ-GAJHUEQPSA-N 495.646 2.097 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(Cc2cscn2)CC1 1508074346 QBWAHPFKSTWZRD-UHFFFAOYSA-N 458.979 2.074 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1508086261 MUAMPGWKKTYIGW-OAQYLSRUSA-N 472.037 2.041 30 10 JEEE C#CCNC(=O)C1CCN(C(=O)CSc2nnc(-c3ccccc3)n2[C@@H](C)COC)CC1 1524476375 JXZJKWDIWXUMIE-KRWDZBQOSA-N 455.584 2.233 30 10 JEEE C=C(C)Cn1c(SCC(=O)N2C[C@@]3(C)CS(=O)(=O)C[C@@]3(C)C2)nnc1-c1ccco1 1537185084 UXPZCCKRNNARDA-BGYRXZFFSA-N 450.586 2.490 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2C[C@@H](C)CN2CCOCC2)c1 1539040538 VYJWNQIIHQDKCH-IBGZPJMESA-N 461.570 2.298 30 10 JEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](c2ccccc2OC)C1 1539072902 YPBZCGMFNRZUPO-DENIHFKCSA-N 487.626 2.417 30 10 JEEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@H]1CN(CC(C)C)CCO1 1539154623 JFUREBDXWMAFHB-IBGZPJMESA-N 457.575 2.397 30 10 JEEE C#CCN(c1nnc(COc2ccccc2OC)n1CC[C@@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1539230852 MAYWZNYESCKQLA-UXHICEINSA-N 488.610 2.452 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CC(=O)N(C)C)CC1 1539468296 COHUNHDZLNFMGC-LJQANCHMSA-N 466.586 2.089 30 10 JEEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(F)c(OC)c2)CC1 1539723143 YOXCFEPLARDZHF-UHFFFAOYSA-N 460.554 2.483 30 10 JEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1c(F)cccc1F)C1CC1 1540858259 OMILQDMUEGQNDC-SFHVURJKSA-N 453.515 2.244 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1540863558 YIIGBJDJISUEDO-BXKMTCNYSA-N 483.548 2.345 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2(CC(C)C)CC2)C1 1540892050 DTXWSLAFPDJXDH-RBUKOAKNSA-N 467.636 2.219 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](C)O[C@H](C2CC2)C1 1540898531 MYLWVMVMMPINJW-KXBFYZLASA-N 461.544 2.458 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc3ccccc3o2)nnc1N1CCC(NC(C)=O)CC1 1540899572 SVFCJNJASXPDIM-UHFFFAOYSA-N 457.556 2.397 30 10 JEEE Cc1nn(C)c(N2CCN(c3nnc(C(C)(C)C)n3CC[S@](=O)C(C)(C)C)CC2)c1C#N 1543001145 DWTZAQCOIDCSNY-YTTGMZPUSA-N 460.652 2.363 30 10 JEEE CCCOc1ccc(-c2nnc(N(C)[C@H](C)CC#N)n2C[C@]2(O)CCS(=O)(=O)C2)cc1OC 1547260870 GHWFIJHLNIFXKU-OPAMFIHVSA-N 477.587 2.030 30 10 JEEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H](C)COc2ccccc2OC)CCOC1 1547918812 HNEQUHAAMIWCCU-XLNZFTOWSA-N 471.558 2.383 30 10 JEEE COCCNC(=O)[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CCN1C(=O)COc1ccccc1 1548372683 ULTCMBJAXLCPLQ-NRFANRHFSA-N 490.482 2.436 30 10 JEEE COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)C1 1557360880 ANTPUMKJGCYRPX-SJLPKXTDSA-N 453.520 2.285 30 10 JEEE C#CCCCn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1587889242 WMJHEOCEOSMMTC-NRFANRHFSA-N 454.550 2.152 30 10 JEEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CCSC(C)C)[C@H]1CCS(=O)(=O)C1 1588034344 DMYOCYNYJGZPGX-GHTZIAJQSA-N 470.661 2.087 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@H](C)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1588040946 SNUXBEYHIADVLF-AZUAARDMSA-N 459.616 2.311 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCC(=O)N[C@@H](C)CC 1588127966 AFYSHQHCODJQHV-SFHVURJKSA-N 459.554 2.053 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCOc2ccc(F)c(F)c2)CC1 1588968937 SMONBODINVAUDC-HXUWFJFHSA-N 459.497 2.453 30 10 JEEE C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccc1F 1589404020 FRIQNUBBCOLYPH-MRXNPFEDSA-N 488.383 2.295 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(Cn2nc(C)cc2C)CC1 1595607969 NMYYBHHXDJKSIZ-UNMCSNQZSA-N 471.606 2.034 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(C=C)CC1 1595765888 JCOLZYVCALNLNB-UHFFFAOYSA-N 493.655 2.199 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCN(Cc2cc(C)no2)CC1 1595821857 DDRRHSLKBUWIDD-UHFFFAOYSA-N 462.620 2.230 30 10 JEEE CO[C@@H]1COCC[C@H]1Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCO[C@@H](C#N)C1 1619540935 DNKBELIERIDAHJ-SLFFLAALSA-N 490.605 2.173 30 10 JEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@]23CCC[C@]2(OCCOC)OCC3)cc1 1622886524 JJWWVCBSEPPZCD-NHCUHLMSSA-N 453.561 2.317 30 10 JEEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@H](c1ccc(Cl)c(F)c1)c1nn[nH]n1 1624780616 GZTJPBICNMVAMJ-GOSISDBHSA-N 453.869 2.362 30 10 JEEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2cccc(S(=O)(=O)NC3=NCCC3)c2)c1 1628586815 OUMJNQJIGPNZHE-UHFFFAOYSA-N 459.549 2.207 30 10 JEEE CC(C)[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)NCc1ccc(C#N)cn1 1642037023 BQQJOUITDHOBOL-KRWDZBQOSA-N 451.346 2.335 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H](C)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1689981953 DXMQBZWNFQTUMJ-GHTZIAJQSA-N 454.600 2.174 30 10 JEEE C#CCN(c1nnc(CC)n1C[C@H](c1cccc(OC)c1)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1689992455 LAHORXOEUQNXMQ-IFMALSPDSA-N 471.627 2.313 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1cccc(F)c1)N(C)C 1690047404 QBTCQALJVJUIDP-TZIWHRDSSA-N 457.575 2.085 30 10 JEEE C#CCN(CC)c1nnc(-c2cnccn2)n1C[C@@H]1C[C@@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1690072752 RUSYJVLDNURAFU-ZIFCJYIRSA-N 453.547 2.219 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@H](C)c1nc(-c2ccccc2)no1 1690092638 PGXDEBGNGWTBLC-SFHVURJKSA-N 463.542 2.454 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1[C@H]1C[C@H](c2ccccc2C)C1 1690104054 LNHLYHLUGILUHE-KCZVDYSFSA-N 487.626 2.124 30 10 JEEE C#CCN1CCN(c2nnc(CC3CCCC3)n2Cc2ccccc2S(=O)(=O)N(C)C)CC1 1690130217 BRQHVPNEHMOUOP-UHFFFAOYSA-N 470.643 2.065 30 10 JEEE C=C(C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1690277470 XNZSYFAHPYZAKQ-UHFFFAOYSA-N 476.528 2.103 30 10 JEEE C=C(C)Cn1c(COc2ccccc2OC)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1690295742 MPTXIGPGUKOSKH-GOSISDBHSA-N 461.588 2.446 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1690313276 PIFWFXOSZGZOBC-YPAWHYETSA-N 474.650 2.001 30 10 JEEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)c2cc(C)oc2C)CC1 1690507723 VHRJXUPPGAUBME-HXUWFJFHSA-N 470.574 2.431 30 10 JEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1690508341 GWDAPENPFSVPIY-HXUWFJFHSA-N 479.647 2.002 30 10 JEEE C=CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1690642261 FRZUIRDZUSCUJY-RBUKOAKNSA-N 474.606 2.406 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1690659305 PHTHVGCFEBZROW-NRFANRHFSA-N 492.584 2.244 30 10 JEEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCCC[C@H](COC)C1 1690662235 VVKFMKMXIIDHBA-SFHVURJKSA-N 489.646 2.102 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cccnc2OCC(F)F)C1 1690700475 SPMBTMLZAJVNRZ-SJORKVTESA-N 483.541 2.049 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](CC)c2ccccc2)nnc1N1CCC[C@H](C(=O)NC)C1 1690715500 MZJMVSQLLOCCBZ-PMACEKPBSA-N 459.616 2.383 30 10 JEEE CNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)N2CCCCC2)CC1 1697016263 CEZZOLXOBDQJCT-UHFFFAOYSA-N 480.617 2.455 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2CCc2n[nH]c(C)n2)c1 1705503967 JOTPVZDTASISJY-VWLOTQADSA-N 492.584 2.044 30 10 JEEE C#CCN(c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H](OC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1705567381 VVPYKWUOBBFWRW-UIFIKXQLSA-N 474.583 2.088 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1Cc1cccc(NC(=O)[C@H]2CCCO2)c1 1705627237 AFEVWJOHDDXWQG-IFMALSPDSA-N 467.570 2.424 30 10 JEEE C#CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1705629447 IZMULQQIXUHRJM-NHCUHLMSSA-N 479.629 2.490 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CCCO[C@H]2CCOC2)CC1 1705650300 OSZCHZYPHYNTDV-QFIPXVFZSA-N 469.561 2.169 30 10 JEEE C#CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C(N)=O)CC1 1705665477 VELKVXHWRPWWKS-KRWDZBQOSA-N 462.620 2.418 30 10 JEEE C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C2CCC1(C)CC2 1705687794 JVHSNARHDMGYHL-XOYHFGRZSA-N 460.398 2.041 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)NC2CCCCC2)CC1 1705737408 QHYMJEMMMFXOBJ-HXUWFJFHSA-N 493.674 2.438 30 10 JEEE C=CCCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1705800566 BECXSWAVSQSMQX-UHFFFAOYSA-N 455.954 2.290 30 10 JEEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 1705818299 FTQSNAMZVZPPFQ-ZWKOTPCHSA-N 450.609 2.026 30 10 JEEE C=CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(NC(=O)COC)CC1 1705818337 HASPZVBLNIZEHY-UHFFFAOYSA-N 451.531 2.292 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCN(C(C)(C)C)CC1 1705900917 UHCWGPPOMOHXSA-UHFFFAOYSA-N 492.628 2.459 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CC[C@](O)(c2ccccc2F)C1 1705935784 CXTYSCMHKWUNRS-HTAPYJJXSA-N 464.563 2.010 30 10 JEEE COCC1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCCN(C(C)=O)CC2)CCOCC1 1712198538 DNPBWRJEVHDBQI-UHFFFAOYSA-N 452.559 2.319 30 10 JEEE COCCC1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@@H](C)CC#N)CCCCC1 1712338010 AASBJIRUDVCQBY-OALUTQOASA-N 482.651 2.336 30 10 JEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2cccc(F)c2)C1 1722317102 QKGGWRIWHCMKHS-NHCUHLMSSA-N 491.589 2.132 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC(C)(C)N1CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1722361664 OEFDWDROCSEMBM-MOPGFXCFSA-N 458.632 2.410 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@@H](C(C)C)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1722372564 ZESXEVHIFAWRJF-RPWUZVMVSA-N 499.681 2.047 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1NC(=O)CC1(C)C 1722429696 VKPGIAQGPIUZGM-RBUKOAKNSA-N 488.633 2.393 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CCCS(=O)(=O)Cc2ccccc2)CC1 1722439221 SXLGEAPBFZIKNE-UHFFFAOYSA-N 478.622 2.024 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2(N(C)C)CCC2)CC1 1722443087 BYVYCVAOSWTMHY-UHFFFAOYSA-N 465.558 2.303 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2ccc3c(c2)COC3)CC1 1722443818 BNBVKVGIYVNUKU-GOSISDBHSA-N 467.570 2.046 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1722450080 WPKLXWWPENQAGF-JOCHJYFZSA-N 492.624 2.124 30 10 JEEE C#CCSCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)[C@@H](C)CC(N)=O 1722459430 KBVBFVGZJVYOHF-INIZCTEOSA-N 464.636 2.459 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC(OCC(N)=O)CC1 1722496528 XTDZQNOVRZVXTF-SBUREZEXSA-N 485.585 2.414 30 10 JEEE C=C(C)COCCn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1722537375 NILYFYDQSKEQKH-RBUKOAKNSA-N 453.609 2.117 30 10 JEEE C=CCN(CC=C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@]1(O)CCN(C)C1 1722669520 UYJDQMBNCYDFCF-RUZDIDTESA-N 463.586 2.310 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@]1(C)CN(C)C1=O 1722680199 BBBASYYNVWSOKS-MFEFFIJZSA-N 462.595 2.166 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N(C)Cc1cnn(C)c1C 1722688561 FZWPCFCTYGPHPX-UHFFFAOYSA-N 461.368 2.027 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC(c2ccnn2C)CC1 1722692343 ZZPPXMGFFUSXJB-UHFFFAOYSA-N 497.003 2.281 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)CCN1CCOC(C)(C)C1 1722693377 LQWQMYAFASBUIK-UHFFFAOYSA-N 478.601 2.184 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCc2c(ccnc2N(C)C)C1 1722726528 CYMUIOXGNVJGNT-UHFFFAOYSA-N 467.599 2.273 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1nnc2n1CCCCC2 1723772144 HJAXXYVLMCIDFZ-KRWDZBQOSA-N 497.629 2.300 30 10 JEEE C[C@@H](Oc1ccccc1F)c1nnc(N(C)[C@H](C)CC#N)n1CC1(O)CCS(=O)(=O)CC1 1723993547 DUNXQGYSPWZXLC-HZPDHXFCSA-N 465.551 2.235 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@H](CC(C)C)NC(=O)OCC)[C@@H]1CCS(=O)(=O)C1 1740615880 MYMCTSPHKMCJJT-QZTJIDSGSA-N 467.636 2.363 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@@H](C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 1740620709 XCYDLSOTPKFOPA-FPOVZHCZSA-N 471.627 2.312 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCOc2ccc(OC)cc2)CC1 1740690593 XTNJZXMDSUPPJQ-UHFFFAOYSA-N 475.553 2.158 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccc(Cl)cc2OC)CC1 1740691948 DIXOIAARZIMOIL-HSZRJFAPSA-N 459.978 2.396 30 10 JEEE C=C(Br)Cn1c(COCC)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1740748941 MPOISCNYNHAPSF-INIZCTEOSA-N 469.428 2.293 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)Cc1c(F)cccc1F 1740782539 VHXGFPNFLYDBEG-SFHVURJKSA-N 455.531 2.492 30 10 JEEE C=C(C)Cn1c(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)nnc1[C@]1(OCC)CCOC1 1740786208 UPHIXLQQRWPIHD-QHCPKHFHSA-N 475.615 2.158 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@](C)(O)c2cc(C)oc2C)CC1 1740840128 SRPIUWZDQVWDLK-NZQKXSOJSA-N 493.630 2.131 30 10 JEEE C=CCCCn1c(-c2cccc(Cl)c2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1740869958 FPTXWFYYNRXFPA-UHFFFAOYSA-N 470.965 2.031 30 10 JEEE C=CCCOCCn1c(Cn2ccc3ccccc32)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1740886678 OTDWFRLPAPMUMD-UHFFFAOYSA-N 493.612 2.047 30 10 JEEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCN(C(=O)C(C)C)CC1 1740950483 RNTUFEBIJDVGSV-GOSISDBHSA-N 462.595 2.467 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1740975753 XPAMKPSUCNLGDB-PKOBYXMFSA-N 491.614 2.025 30 10 JEEE CC(C)n1nc(-c2nnc(N(C)C[C@H](C)C#N)n2C[C@H]2CCS(=O)(=O)C2)c2ccccc2c1=O 1741129557 FGLBAFGMKHFJMD-IAGOWNOFSA-N 483.598 2.266 30 10 JEEE C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CC1([S@](C)=O)CCC1 1741136619 BCTFRTQFUZLPLN-KHFRWJKUSA-N 463.629 2.376 30 10 JEEE CC(C)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCOCC2)[C@H](C)C1=O 1741559710 BONIYUNSTUYACX-HXUWFJFHSA-N 465.602 2.232 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC[C@H]1CCO[C@H](C)C1 1741674496 DRBAOPXBFWXPKC-MOPGFXCFSA-N 466.590 2.215 30 10 JEEE CCc1cnc(CCn2c(COc3ccc(C#N)cc3)nnc2N(C)CC(=O)N2CCOCC2)s1 1744411716 FTQNVESYMWIRIY-UHFFFAOYSA-N 495.609 2.285 30 10 JEEE CCCNC(=O)Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCO[C@H](C#N)C1 1745791129 FAAQPLDUOMPGRU-LJQANCHMSA-N 450.499 2.372 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCOCC1CCOCC1 1748656187 NRTMPRVWEQRXTO-SFHVURJKSA-N 450.547 2.212 30 10 JEEE C#CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1748719170 VVBBGBPZVQZNJY-XUVXKRRUSA-N 486.617 2.447 30 10 JEEE C#CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN(CC(=O)NCC)CC1 1748750567 KDZAEOVWJYKBRY-UHFFFAOYSA-N 487.649 2.064 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H](C)COC)CC1 1749003735 UCZHSIJNSCMXMO-AWEZNQCLSA-N 463.380 2.284 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@H]2CCCN2CCCO)CC1 1749006139 JHEQPAKIEOWCCB-XMMPIXPASA-N 478.641 2.320 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1749102462 MSQDDWGIXAHPIQ-LZQZEXGQSA-N 481.439 2.070 30 10 JEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2nnc(C(C)(C)C)s2)CC1 1749329832 SWEJZRHRLDZFCT-ZDUSSCGKSA-N 453.638 2.488 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(C)(C)N2CCC(OC)CC2)CC1 1749342476 GMRGHCXWIFWMDT-IBGZPJMESA-N 465.664 2.472 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](Oc2ccccn2)C1 1749368587 MSWPFPZSKMGWAN-OALUTQOASA-N 490.630 2.266 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)[C@H]2CCSC2)cc1 1749683345 QDPSHTTXCTWYMG-WBVHZDCISA-N 451.618 2.443 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC2(O)CCS(=O)(=O)CC2)C1 1749698982 YGXYYIVQUZYCPH-ROUUACIJSA-N 494.589 2.278 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCN(C3CCC3)C[C@@H](C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1749739656 ISMDGMDYZCCANK-HYBUGGRVSA-N 495.690 2.230 30 10 JEEE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3cccc(Cl)c3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1749785676 FLAURCPEEXGAOQ-JEBJBBSMSA-N 497.987 2.430 30 10 JEEE Cc1nc([C@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCC(=O)NC(C)C)CCO2)no1 1751761933 COIZHKMVAWKTOP-GOSISDBHSA-N 450.503 2.001 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cn4ccccc4n3)n2CCCC(=O)N(C)C)c1 1760127877 PNKOWXZYZZNVOQ-UHFFFAOYSA-N 498.591 2.441 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CCc1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 1760180496 GKKFONJGXXFBKR-OFNKIYASSA-N 493.029 2.453 30 10 JEEE C#CCN(c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1760185027 NTLCKOCZGKYAOU-PKOBYXMFSA-N 474.583 2.016 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1Cc1cc(F)ccc1N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1760186014 IWCPSTREGDPJSY-NRFANRHFSA-N 489.617 2.127 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc(Cl)c(OC)c1 1760210576 TZLVCMAEZDCKNO-MRXNPFEDSA-N 463.991 2.256 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](CC)N1CCc2ccccc2C1 1760248361 JXRZCAWVPCZVAK-FCHUYYIVSA-N 450.587 2.152 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](CC)c3ccccc3)n2C[C@]2(O)CCO[C@H]2C)CC1 1760265840 KDMKUKBWEHTGSF-IATMXGELSA-N 465.598 2.326 30 10 JEEE C#CCSCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@](C)(C(N)=O)C1 1760281683 WBLASSYFOBTSBD-HXOBKFHXSA-N 476.647 2.461 30 10 JEEE C=C(Br)Cn1c(N2C[C@H](CC)[C@H](N3CCOCC3)C2)nnc1[C@]1(OCC)CCOC1 1760313926 HSOTYCKIWDJECD-UEXGIBASSA-N 484.439 2.386 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCSCC(F)(F)F)C1CC1 1760476672 CELHNGQWMQTDMP-AWEZNQCLSA-N 469.555 2.061 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](c2nc3ccccc3[nH]2)C1 1760549223 ZKOMHJWEUMTWEV-KRWDZBQOSA-N 485.614 2.277 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCc2ccc(OC)cc2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1760557705 UIZOTLUJKHIAHA-YADARESESA-N 490.626 2.057 30 10 JEEE Cc1cccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCCN2C[C@H](C)O[C@@H](C)C2)c1 1762024012 CVCUSCCUHHTDLR-JAXLGGSGSA-N 454.575 2.394 30 10 JEEE CC[C@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1CC(C)(C)N1CCC(OC)CC1 1764995098 DYAMMVYWRUJQPR-NRFANRHFSA-N 465.602 2.421 30 10 JEEE CCOC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(N(C)C)CCOCC2)CC1 1765702240 HIFXPRLKIAXZIP-UHFFFAOYSA-N 467.574 2.206 30 10 JEEE CCN1CCN(C[C@H](C)Cn2c(C(C)C)nnc2N2CCN(c3nccnc3C#N)C[C@H]2C)CC1 1767141524 DLLYGYUWPRCMJB-LEWJYISDSA-N 480.665 2.052 30 10 JEEE COc1ccc(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@H](C)CN2CCOCC2)cc1 1768732963 AYTGBYLPYPSHQQ-WZONZLPQSA-N 458.538 2.276 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2cccn2C)n1C[C@H]1CCS(=O)(=O)C1 1769818521 AFEFSLXSXVPJSP-HXUWFJFHSA-N 468.583 2.243 30 10 JEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)c1nc(-c2ccccc2)no1 1772564400 WJHPNZAUYPNGJL-SJLPKXTDSA-N 487.586 2.087 30 10 JEEE COc1ccc(-n2cc(/C=N\NC(N)=S)c(-c3ccc4c(c3)N(C)C(=O)[C@H](C)O4)n2)cc1OC 1857807404 GSENFYCCMRVUKX-MJXQYPEZSA-N 480.550 2.467 30 10 JEEE CN(c1ccc(NS(=O)(=O)c2ccccc2C#N)cn1)S(=O)(=O)c1ccccc1C#N 1858271638 CYZJONDXTODZCC-UHFFFAOYSA-N 453.505 2.451 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)COc2cccnc2NC(=O)N2CCN(CC)CC2)nc1C 1858815754 OQDIPFZKSIRSES-UHFFFAOYSA-N 488.570 2.376 30 10 JEEE O=C(C1=C(O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccc([N+](=O)[O-])cc1)c1cccc([N+](=O)[O-])c1 1862736863 AQXXCXJFQWKERU-HXUWFJFHSA-N 482.449 2.414 30 10 JEEE CC(=O)NCc1nnc(SCC(=O)N[C@H](C)c2ccccc2)n1/N=C/c1ccc(O)cc1O 1874435883 CEXSAEVEATVRHO-VXHUXDJESA-N 468.539 2.177 30 10 JEEE C=CCn1c(C(=O)N2CCCC2)cc2c(NCCc3ccc(S(N)(=O)=O)cc3)ncnc21 1875231140 BJWBYBCHJXZASK-UHFFFAOYSA-N 454.556 2.155 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)O 2123817249 WXRGIMMCQCWVQH-JKSUJKDBSA-N 468.551 2.496 30 10 JEEE CC1(C)OB(c2cccc3c2N(S(=O)(=O)N2CC(OCc4ccccc4)C2)CC3)OC1(C)C 2161950044 FQJDJFWTTWRULT-UHFFFAOYSA-N 470.400 2.494 30 10 JEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](COc2ncccc2B2OC(C)(C)C(C)(C)O2)[C@H]1OC 2241093371 QONUWFYTMKWHMU-KZNAEPCWSA-N 464.368 2.409 30 10 JEEE CC1(C)OB(c2ccc(S(=O)(=O)NC3CN(C(=O)OCc4ccccc4)C3)cc2)OC1(C)C 2247880415 FAPHENILKHMZPZ-UHFFFAOYSA-N 472.372 2.285 30 10 JEEE C=C(CS(=O)(=O)N[C@@H]1CCOC[C@H]1NC(=O)OCc1ccccc1)B1OC(C)(C)C(C)(C)O1 2247902462 ABRRTVKMLRDUNC-RTBURBONSA-N 480.392 2.177 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2CC[C@@H](OCCNC(=O)OC(C)(C)C)C2)C1 2255147544 DSEPKXSLWWGUMF-WCCYLALTSA-N 451.564 2.435 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ccsc2B2OC(C)(C)C(C)(C)O2)[C@@H](O)C1 2255642960 NUYORTNYFSIEBT-GJZGRUSLSA-N 452.382 2.147 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCOC[C@H]1NC(=O)c1csc(B2OC(C)(C)C(C)(C)O2)c1 2255705138 QLPGIUXDRWQPEB-LSDHHAIUSA-N 452.382 2.459 30 10 JEEE CC1(C)OB(c2ccc(C(=O)N[C@H]3CCOC[C@@H]3NC(=O)OCc3ccccc3)o2)OC1(C)C 2255712912 TZFSPLNGJPKUNZ-ROUUACIJSA-N 470.331 2.393 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N=[S@@](C)(=O)CCNC(=O)OC(C)(C)C 2255862804 TUOWHDAIIUOGJL-HKBQPEDESA-N 455.386 2.087 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2C(NS(=O)(=O)c3cc(B4OC(C)(C)C(C)(C)O4)cs3)[C@H]2C1 2255942665 OOZZNQJGKCVXQT-KBPBESRZSA-N 470.422 2.191 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(CNC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)O)s1 2256616845 FICITOZCQJKFQF-XJKSGUPXSA-N 454.398 2.246 30 10 JEEE COC1CC(NC(=O)OC(C)(C)C)(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C1 2256675959 LERYIYKRCVLRTR-UHFFFAOYSA-N 453.370 2.453 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(F)c(C(=O)N[C@H](CO)CNC(=O)OC(C)(C)C)c1 2267161725 GDXVDEHBOZKATC-AWEZNQCLSA-N 452.332 2.049 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NOC1CN(C(=O)OC(C)(C)C)C1 2267704934 UOZDTBJKWQEOIW-UHFFFAOYSA-N 468.381 2.123 30 10 JEEE CC(C)(C)OC(=O)N1CC(CNS(=O)(=O)Cc2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2267705238 GGUOSDMRUUKNAF-UHFFFAOYSA-N 466.409 2.272 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)Nc1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)n1 2268652014 CXVUTDUXOHUTBB-JSGCOSHPSA-N 467.759 2.343 30 10 JEEE CN(CC(C)(C)N(C)C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1)C(=O)OC(C)(C)C 2273281730 VGBMZBVCLOKING-UHFFFAOYSA-N 450.389 2.437 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@@H](NC(=O)c2c(F)cccc2B2OC(C)(C)C(C)(C)O2)C1 2281783306 IUXWERLKSQKGIZ-HNNXBMFYSA-N 464.343 2.491 30 10 JEEE CCCN(C(=O)c1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C)C1CN(C(=O)OC(C)(C)C)C1 2281801725 GLYSJAKCNXNJHB-UHFFFAOYSA-N 462.400 2.499 30 10 JEEE CCc1nn(C)c(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)c1B1OC(C)(C)C(C)(C)O1 2281989741 DFRGZWNZNVPPBV-OAHLLOKOSA-N 462.400 2.363 30 10 JEEE C[C@@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1F)C1(O)CN(C(=O)OC(C)(C)C)C1 2282396337 YIDWMGKONUMBAZ-CQSZACIVSA-N 464.343 2.225 30 10 JEEE CCc1nn(C)c(C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)[C@H]2C)c1B1OC(C)(C)C(C)(C)O1 2282561733 UJSTXQUAWNXKTH-GDBMZVCRSA-N 462.400 2.409 30 10 JEEE Cn1ncc(C(=O)N2CCC(C)(CNC(=O)OC(C)(C)C)CC2)c1B1OC(C)(C)C(C)(C)O1 2282566285 WOQYTZWMNXWDPY-UHFFFAOYSA-N 462.400 2.486 30 10 JEEE CC(C)(C)OC(=O)N1CCC(O)(CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CC1 2282674833 PJTPOBFFUMSZAG-UHFFFAOYSA-N 460.380 2.478 30 10 JEEE Cc1sc(CNC(=O)[C@@H](CC(N)=O)NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1C 2283933283 NHQMKBKYSMVFQY-CQSZACIVSA-N 481.424 2.049 30 10 JEEE COc1cccc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H](COCc1ccccc1)C(=O)O 2284472328 DEDBAWFQEDSLST-SFHVURJKSA-N 455.316 2.394 30 10 JEEE Cc1nc(NC(=O)CN(C(=O)OC(C)(C)C)[C@@H]2CCOC2)ncc1B1OC(C)(C)C(C)(C)O1 2288166907 FHPVHVYKBVWXNC-OAHLLOKOSA-N 462.356 2.049 30 10 JEEE CN1C[C@@H](C(=O)N2CC[C@@](C)(B3OC(C)(C)C(C)(C)O3)C2)N(C(=O)OC(C)(C)C)CC1=O 2342471881 BTDXMPUHQFZVDL-OYHNWAKOSA-N 451.373 2.149 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]3C[C@H]23)n1C 2362483758 UDDZTEOYTDBYNS-BZUAXINKSA-N 460.384 2.155 30 10 JEEE COc1ccc([C@H]2c3c(nc(NCc4ccc5c(c4)OCCO5)[nH]c3=O)NC(=O)[C@@H]2C#N)cc1 72472555 XKRGCMKGCOVOBZ-VQIMIIECSA-N 459.462 2.386 30 10 JEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC(F)F)cc2)c(=O)n1-c1ccccc1C#N 604001314 AGCDUZSMZDOFHD-UHFFFAOYSA-N 478.480 2.177 30 10 JEEE CCc1cccc(-n2c(=C(C#N)C(=O)N3CCCC3)sc(=Cc3cnn4ccccc34)c2=O)c1 729670117 ISSDNNVXFHFJKW-UHFFFAOYSA-N 469.570 2.235 30 10 JEEE N#C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1)C(=O)c1cnn(-c2ccccc2)n1 916948851 IEBZCIMPEJDLCL-HXUWFJFHSA-N 478.534 2.403 30 10 JEEE COCc1nc(C(=O)[C@H](C#N)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)cs1 920838200 CJVIMPZNHCJYHR-INIZCTEOSA-N 462.553 2.425 30 10 JEEE CCNS(=O)(=O)c1ccc(NC(=O)CSc2n[nH]c(NN=Cc3ccc(C)o3)n2)cc1 1084298887 NOOPGNDZVQFYGF-UHFFFAOYSA-N 463.545 2.181 30 10 JEEE COc1ccc(OC)c(NC(=O)CSc2nnc(NN=Cc3ccc(OC)c(OC)c3)n2N)c1 1084446473 HALKOXFZYSGHKV-UHFFFAOYSA-N 487.542 2.203 30 10 JEEE COCCSc1nnc(NC(=O)CSc2n[nH]c(NN=Cc3cccc(O)c3)n2)s1 1084470667 NVPDOZHUTCCCHD-UHFFFAOYSA-N 466.574 2.277 30 10 JEEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](c2cccc3ccccc23)C(F)(F)F)CC1 1216783292 WUKMWQPCSVWNBB-GOSISDBHSA-N 454.474 2.238 30 10 JEEE C#CCn1ccc(CN(CC)C(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCCCC2)n1 1271204340 ITQONBMSDDMOBT-UHFFFAOYSA-N 457.600 2.419 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@H](CC)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1286389043 DTRTURLBHGUPTQ-VQTJNVASSA-N 456.616 2.150 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@@H](CC)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1286393271 QKHMINYMGGXGJG-WOJBJXKFSA-N 461.657 2.432 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCSC1)[C@H]1CCS(=O)(=O)C1 1286398162 WJCCAYPOAAJOHB-PMACEKPBSA-N 485.635 2.499 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCNS(=O)(=O)c1ccccc1 1286415056 JJBWSEGOEFPFAK-NHCUHLMSSA-N 469.611 2.248 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(F)cn2)CC1 1286546015 FJNHHGZIOWZJME-PXNSSMCTSA-N 457.554 2.258 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)OCC)CC1 1286546378 IVSZOBTVMWPMQH-MJGOQNOKSA-N 462.595 2.456 30 10 JEEE C=C(C)Cn1c([C@H](C)OCCOC)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1286585778 PQXRGVWYEIDTNW-HBMCJLEFSA-N 462.639 2.205 30 10 JEEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1286693507 RMDTXNCYGZEOIF-UHFFFAOYSA-N 461.592 2.142 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC(O)(Cc2ccc(F)cc2)CC1 1286785402 KUEAFRNYGULOHM-UHFFFAOYSA-N 450.518 2.355 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 1286819566 OGXJGUJMANNUTR-UHFFFAOYSA-N 494.621 2.141 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCN(C[C@H]2CCCO2)CC1 1286821997 XWJYSFZQPWYKLA-JOCHJYFZSA-N 473.643 2.079 30 10 JEEE C=CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1286827128 DSWGVWVDORIFSU-UHFFFAOYSA-N 479.628 2.453 30 10 JEEE C#CCCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1300417229 QHWRPSDVSOYQGX-UHFFFAOYSA-N 469.615 2.180 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCc1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1300483333 KRDWQGKTFQDNJR-LJQANCHMSA-N 469.567 2.428 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@@H]1CN(Cc2ccccc2)CCO1)[C@H]1CCS(=O)(=O)C1 1300496658 SYPSDZFDTRUGLS-GOTSBHOMSA-N 499.681 2.394 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H](C)Oc1ccccc1)[C@H]1CCS(=O)(=O)C1 1300506087 MDOVZFGMQKGVFH-XWUOBKMESA-N 488.610 2.096 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1oc2ccccc2c1OC 1300579281 SOSNLQNSFUCEJL-QGZVFWFLSA-N 452.536 2.446 30 10 JEEE C#CCN(CC#CC)c1nnc(Cc2cccnc2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1300587562 XEYARDJJMVAIAL-HXUWFJFHSA-N 460.504 2.380 30 10 JEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(OC)cc1OC 1300663446 BVTJMSUDNIVKSK-UHFFFAOYSA-N 453.499 2.157 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCOCC(F)(F)C(F)F)CC1 1300691313 ULFMWAKSAGUJQL-UHFFFAOYSA-N 469.439 2.346 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2C[C@@H](C)N(C)C)CC1 1300716841 SOZJTQHMHORYDI-GOSISDBHSA-N 460.586 2.251 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2Cc2ccccc2COC)CC1 1300727177 WURGCTPEPPWYRI-UHFFFAOYSA-N 458.566 2.424 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1300989910 AFTNZJNSPQHDOM-IBGZPJMESA-N 455.519 2.057 30 10 JEEE C=C(C)COCCn1c(N2CC[C@]3(CNC(=O)C3)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1301001071 BTRKOUWFDVRREB-RHGYRFJNSA-N 474.606 2.358 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cscc2C)CC1 1301123385 CGIQSZZLIQIVQD-GOSISDBHSA-N 451.618 2.432 30 10 JEEE C=CCn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1301446035 WALXIBGCJKDHSA-QGZVFWFLSA-N 466.546 2.460 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1301483867 XGWKTZQLFUQOSS-KGLIPLIRSA-N 450.385 2.257 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCN(C3CCCCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1301596385 NBJYYLLNJTWOIE-XMMPIXPASA-N 495.690 2.374 30 10 JEEE CC[C@@H](C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1Cc1cccc(OCC(N)=O)c1 1305521699 DORFLCYLPNUVPD-GOSISDBHSA-N 474.569 2.297 30 10 JEEE N#Cc1ccc(N2CCN(CC(=O)Nc3cc(C(F)(F)F)ccc3-n3cncn3)CC2)nc1 1307426315 FZHOPWQJZJLQMM-UHFFFAOYSA-N 456.432 2.313 30 10 JEEE CS(=O)(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2ccncc2)CC1 1316340962 BSFMCOXNGOTUEA-UHFFFAOYSA-N 466.567 2.380 30 10 JEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2ccc(F)c(COCCOC)c2)c1 1355984306 PLNDFEABRMJTJE-UHFFFAOYSA-N 454.498 2.476 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1c(CC)nn(C)c1OC 1358890161 LVGVUKHSJBIUJD-VQIMIIECSA-N 487.605 2.397 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCC[C@@H]1CC)[C@H]1CCS(=O)(=O)C1 1358955242 IGBMGBNWYGGNGC-FHWLQOOXSA-N 470.599 2.378 30 10 JEEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1C[C@H]1CCC=CO1)[C@@H]1CCS(=O)(=O)C1 1358967219 GEHFLLAWLRZWKG-WIYYLYMNSA-N 472.567 2.185 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(Br)c3)n2CCN(C)CCOC)CC1 1359030938 KYBLBZWHTXSQDX-UHFFFAOYSA-N 461.408 2.041 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1359102033 VQUBFAGXPJLBEU-FGSXEWAUSA-N 472.615 2.367 30 10 JEEE C=CCCOCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCc2nn(C)c(=O)cc2C1 1359222501 JYIPSQHSCONNGF-UHFFFAOYSA-N 474.363 2.285 30 10 JEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(Cl)ccc1OC)C1CC1 1359251135 DCLMSVAMYYCABN-LJQANCHMSA-N 482.006 2.476 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1359295123 QQJLPCGJEMDNJQ-INIZCTEOSA-N 475.391 2.314 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CCC2(CCN(C)C2=O)CC1 1359334830 RMIOIRLGSZDHPZ-UHFFFAOYSA-N 487.626 2.215 30 10 JEEE CC(=O)N1CCN([C@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CC(C)(C)CN(C)C)C[C@@H]2C)CC1 1359399489 RCHLSLUEHAWVLR-RDPSFJRHSA-N 492.672 2.393 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@]1(O)CCS(=O)(=O)C1 1359469554 HCYCIYJDJPMHDS-SGTLLEGYSA-N 458.371 2.397 30 10 JEEE N#Cc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)cc1 1435240066 FRFOSDWWRUAIHZ-UHFFFAOYSA-N 455.536 2.437 30 10 JEEE C#CCn1cc(CNC(=O)CSc2nc3ccccc3nc2N2C[C@@H](C)O[C@H](C)C2)cn1 1467725980 YLPFXKTXWLJIMW-IAGOWNOFSA-N 450.568 2.482 30 10 JEEE C=C(C)C[C@H](CO)NC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(Br)s1 1471536269 QUFNITKADZKVOQ-CHWSQXEVSA-N 451.408 2.497 30 10 JEEE Cc1cc(C(=O)N2CCN(c3ccc(C#N)nc3)CC2)ccc1NS(=O)(=O)C(F)(F)F 1471717787 FIEYHKWASTWNNB-UHFFFAOYSA-N 453.446 2.486 30 10 JEEE CCCS(=O)(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)NC(C)C)CC1 1501332514 HKOIUJAKAYOYPI-UHFFFAOYSA-N 487.630 2.030 30 10 JEEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 1507591115 JIDUPCZGNFWRIR-LJQANCHMSA-N 454.550 2.485 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1Cc1cnn(C)c1C)[C@@H]1CCS(=O)(=O)C1 1507628435 OOPHJLJRTVHUDS-LJQANCHMSA-N 458.975 2.315 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccc(N(C)C)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1507639304 XIMKVQZZGLBNCZ-YLJYHZDGSA-N 461.563 2.010 30 10 JEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCOc1ccc(OC)cc1 1507647079 AKQOXFGIIDTGMB-UHFFFAOYSA-N 478.578 2.399 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)c(OCC)c1 1507670037 XSLAORUMVKMPFH-IBGZPJMESA-N 456.568 2.099 30 10 JEEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1CC[C@H](N1CCOCC1)C(F)(F)F 1507672826 JDSBVTPTMIGSFZ-FQEVSTJZSA-N 477.535 2.256 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc3ccccc3n2)n1C[C@@H]1CCCS(=O)(=O)C1 1507707784 DBFTWDJIAYKOFG-SFHVURJKSA-N 453.568 2.404 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccc(-n3cccn3)cc2)CC1 1507715546 CSWXWEUYPZCJOP-UHFFFAOYSA-N 460.586 2.186 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2C[C@@]2(O)CCO[C@H]2C)CC1 1507723176 YPCPIJZHZBIVSZ-DFBJGRDBSA-N 469.586 2.038 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@H]2CC=CCO2)CC1 1507733328 UNQZVQIOMMCCNC-UXHICEINSA-N 456.591 2.450 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1507734287 KMUDOYQEXRIREA-HXUWFJFHSA-N 483.638 2.298 30 10 JEEE C#CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1cnn(C)c1 1507750815 FOBABGKLGVPAPX-GOSISDBHSA-N 475.619 2.323 30 10 JEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)C[C@@H]1c1cccc(OC)c1 1508059267 RWVNQQMCNGRQDB-AHRSYUTCSA-N 461.588 2.393 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1508089157 AWFKMZZACNNZRL-FQEVSTJZSA-N 495.628 2.497 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1508135021 CXRFMIQBKFZDEM-MRXNPFEDSA-N 476.006 2.397 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC(NC(=O)c2ccccc2)CC1 1508143033 WIHRGJWJMLHBBA-HXUWFJFHSA-N 487.626 2.172 30 10 JEEE C=CCSCCn1c(COc2ccccc2F)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1508168901 ZXWLUUDOWMMGMO-UHFFFAOYSA-N 490.605 2.490 30 10 JEEE C[C@@H](CC(N)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCNc1nccc(C(F)(F)F)n1 1509963926 HQFAULXZJXQFMX-ZDUSSCGKSA-N 473.463 2.438 30 10 JEEE CO[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1)C(C)C 1517818896 GUASKWCIQSZWDL-HXUWFJFHSA-N 460.604 2.348 30 10 JEEE CO[C@@H]1CCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1518560733 BICYSJLAHPLJLE-CEWLAPEOSA-N 472.615 2.397 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)NCc3cccc(-c4nc(C(=O)OCC)n[nH]4)c3)cc2C1=O 1538783952 DVLGXMRMSBEQRL-UHFFFAOYSA-N 459.462 2.360 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CC2(OC)CCCC2)c1 1539043848 VJAYTMAHZXIMFV-IBGZPJMESA-N 450.543 2.245 30 10 JEEE C#CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)NC[C@@H]2C1 1539086057 XGHLZHBKOXCQEQ-MSOLQXFVSA-N 457.579 2.367 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC(C)(C)OCC)[C@@H]1CCS(=O)(=O)C1 1539205715 JOLAALFIEDRYRT-GOSISDBHSA-N 461.544 2.295 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccc(Cl)cc1OC)[C@@H]1CCS(=O)(=O)C1 1539222171 UDTNJBAOAWBMGI-SJLPKXTDSA-N 464.975 2.119 30 10 JEEE C#CCN(c1nnc(COCC)n1Cc1nc(C(C)(C)C)cs1)[C@@H]1CCS(=O)(=O)C1 1539230863 MKKXPWDZHDZWAG-OAHLLOKOSA-N 451.618 2.244 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCC(=O)N1CCCCC1 1539242528 WVCKGANRDIDNNM-UHFFFAOYSA-N 465.554 2.446 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccnc3)n2C[C@@H]2CCCN(C(C)=O)C2)n1 1539423710 DGCOCRPDVUBPQJ-OAQYLSRUSA-N 476.585 2.081 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CCN2CC=CCC2)CC1 1539440995 HIASGHHRWGDQHA-UHFFFAOYSA-N 450.587 2.370 30 10 JEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2ccccc2F)C1 1540037272 GXHNQIWHRHVDJK-YLJYHZDGSA-N 464.563 2.490 30 10 JEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)Oc1ccc(Cl)cc1 1540072732 MVLXKAWVWGQKBA-MAUKXSAKSA-N 469.995 2.354 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(C(N)=O)nc1 1540119242 BIYIJTGMWHCJIL-UHFFFAOYSA-N 470.537 2.121 30 10 JEEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@H](C)O[C@@H](C)C1 1540870790 XCWVAQKZKVALIU-IRXDYDNUSA-N 462.595 2.308 30 10 JEEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2ccc(C)cc2)CC1 1540909610 LKTJRIVICJFJIH-SFHVURJKSA-N 492.671 2.078 30 10 JEEE N#Cc1ccc(N2C[C@@H](C(N)=O)[C@H](C3CCN(C(=O)c4cnccn4)CC3)C2)cc1C(F)(F)F 1548397083 NJLBGZJLDKZXNF-ZWKOTPCHSA-N 472.471 2.457 30 10 JEEE CC(C)NC(=O)OC[C@H]1CCCCN1C(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 1568722446 GFDYKNPAAXYXAP-HZPDHXFCSA-N 450.561 2.019 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc(Br)s1 1587562769 STTGFHCWVRMCEG-NEPJUHHUSA-N 460.423 2.413 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1CCCNc1ccccn1)[C@@H]1CCS(=O)(=O)C1 1588044996 FDOKLZXPAFMWCJ-LJQANCHMSA-N 480.594 2.478 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@](C)(O)c1cccs1)[C@@H]1CCS(=O)(=O)C1 1588060119 ZYFJDMIBVVYOBQ-IERDGZPVSA-N 450.630 2.463 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2Cc2ccc(OC)cc2OC)CC1 1588954117 AEKLZEOJTMCMQO-UHFFFAOYSA-N 474.565 2.295 30 10 JEEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(=O)c2cc(C)oc2C)CC1 1589708237 HMMFKJOKQOYELZ-HNNXBMFYSA-N 464.592 2.073 30 10 JEEE C=C1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@H]2CCC[C@@H]2N2CCCS2(=O)=O)CC1 1594015220 YWBIWULMEIYNMX-UFYCRDLUSA-N 467.636 2.363 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@H](c2nc(C)no2)C1 1595489978 KYRKTJAISANFDT-AWEZNQCLSA-N 489.378 2.424 30 10 JEEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2ccccc2C)CC1 1595577486 UJEKSUPKWQEIED-UHFFFAOYSA-N 479.610 2.207 30 10 JEEE CC[C@@H](NS(=O)(=O)c1ccc(Br)c(C#N)c1)c1cccc(S(N)(=O)=O)c1 1621764990 GAUBNGPMXHNOGM-MRXNPFEDSA-N 458.359 2.398 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@H](O)c2cccc(Br)c2)s1 1633684246 UKJVATUOHVMTNE-OAHLLOKOSA-N 459.387 2.367 30 10 JEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 1689892606 IZQYJMUJKOCEPK-KRWDZBQOSA-N 465.620 2.477 30 10 JEEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@](C)(N2CCOCC2)C1 1689931711 GENNIQDYQRCOBB-CPJSRVTESA-N 488.633 2.301 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1CCCSCC)[C@@H]1CCS(=O)(=O)C1 1689984338 NOZUMQLXNKMKAW-QGZVFWFLSA-N 462.597 2.444 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCO[C@@H]1C(C)C)[C@@H]1CCS(=O)(=O)C1 1689990424 OCIFTFFYSCHYHV-ZGXWSNOMSA-N 450.605 2.208 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H](C)N(C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1689992225 INNZIPXFUPGRSQ-QPPBQGQZSA-N 492.649 2.411 30 10 JEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1CC1(C(N)=O)CCCC1)[C@H]1CCS(=O)(=O)C1 1689992558 LPKHKPUCZXRLAI-IBGZPJMESA-N 490.029 2.195 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1CC(=O)NC1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1689993829 MGXCMFNVNIRWKW-JOCHJYFZSA-N 483.638 2.139 30 10 JEEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(OCC(F)(F)F)nc1 1690003321 KNRYBZNGXKWJPO-OAQYLSRUSA-N 463.460 2.387 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1CCn2ccnc2C1 1690093719 HXEDADJRJDXUJV-LJQANCHMSA-N 481.988 2.407 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2C[C@]2(C)CN(C)C2=O)CC1 1690111834 KOVBBPJSFDFDGZ-NLFFAJNJSA-N 450.587 2.268 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2cc(OC)c(OC)c(OC)c2)CC1 1690113737 SLSVUMPQHPUMJI-SANMLTNESA-N 499.612 2.148 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@@H]2CN(Cc3ccccc3)CCCO2)CC1 1690154199 JXXFFQMCPFEVJJ-DEOSSOPVSA-N 494.640 2.072 30 10 JEEE C=C(Cl)Cn1c([C@H]2CCCOC2)nnc1N1CCN(C[C@@H](O)COc2ccccc2)CC1 1690343879 GNPFNZLOWFCCJS-VQTJNVASSA-N 461.994 2.487 30 10 JEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1690508340 GWDAPENPFSVPIY-FQEVSTJZSA-N 479.647 2.002 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](CN2CCCCC2)C1 1690663076 LJCPYQKXMXSCNU-SFHVURJKSA-N 453.547 2.468 30 10 JEEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1690669110 UTESOKAPNKOGKC-AWEZNQCLSA-N 475.475 2.233 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CC[C@@H](CN2CCCCC2)C1 1690672713 ASKNLLRUZWLVLI-FQEVSTJZSA-N 452.603 2.492 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 1690672945 ITDKEHXYRKEXLO-SFHVURJKSA-N 455.563 2.012 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Br)cc2)nnc1N1CCC[C@@H](CC(N)=O)C1 1690676218 SVNOUNVIJQVGMJ-HNNXBMFYSA-N 491.390 2.014 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C(C)C)CC2)cc1 1690679306 QFBSERXMTBCTQM-GOSISDBHSA-N 462.620 2.032 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(Cl)c1 1690724049 GVGKJHQHEUUHDB-MRXNPFEDSA-N 473.020 2.071 30 10 JEEE CC(C)CCN(CCC#N)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccoc1 1692346294 AMLDXRCTHUQTSB-SFHVURJKSA-N 450.565 2.018 30 10 JEEE CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(OC)CCC(C)CC2)CCO1 1696972434 FIZZKAABJINFMB-HZBPUNQASA-N 482.585 2.275 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1c(C)nn(Cc2ccccc2)c1C 1705476927 HCSCBYUAPDYDPV-AEFFLSMTSA-N 469.615 2.256 30 10 JEEE C#CCN(c1nnc([C@@H](C)OCCOC)n1Cc1ccc(C)cc1C)[C@@H]1CCS(=O)(=O)C1 1705561301 SGFURPWUCMGLTH-TZIWHRDSSA-N 460.600 2.294 30 10 JEEE C#CCN(c1nnc(COCC)n1CCc1ccc(Cl)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1705572060 PTRAXGKMFUNXHE-QGZVFWFLSA-N 466.991 2.346 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2OC)n1CCN1CCN(C(C)=O)CC1 1705593306 NGIDXRORMMRGLP-UHFFFAOYSA-N 468.989 2.234 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1705598520 LAAQHIJKWQKBMJ-PMACEKPBSA-N 489.642 2.290 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCN2CCC[C@@H]2C)CC1 1705632090 HORMEAOFOJAXKJ-IBGZPJMESA-N 470.021 2.101 30 10 JEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](CN(CC)CC(F)(F)F)C1 1705659051 KDMLLNRJXIDDGL-HOTGVXAUSA-N 458.554 2.306 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1705698932 AFCCRCRZIGQOQY-AOIWGVFYSA-N 460.579 2.268 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1705708833 HXPDMWGSXIHGCP-NQIIRXRSSA-N 457.579 2.229 30 10 JEEE C=CC1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC(=O)N(C)CC)CC1 1705777404 HYCHKRPJTIIRKK-UHFFFAOYSA-N 460.604 2.076 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)c(OC)c1 1705876288 TZJFUFSWQYWUKU-FQEVSTJZSA-N 461.588 2.155 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@H](C)CC 1705904803 YZNSYIFBFNFVDI-SJORKVTESA-N 450.584 2.371 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCN(Cc2cnc(C)s2)CC1 1705905474 WRQNHHPWFGBNLX-UHFFFAOYSA-N 469.590 2.397 30 10 JEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N(C)C[C@H]1CN(CC)c2ccccc2O1 1705907785 XLDIYPDMOQDGJO-FQEVSTJZSA-N 478.601 2.166 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCN(C(C)=O)CC1 1705933324 CGRIZBMRSLUDBH-UHFFFAOYSA-N 499.593 2.386 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCC(NC(=O)C2CC2)CC1 1705933662 OLHRIJUAZHOPRX-UHFFFAOYSA-N 473.599 2.050 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1nc(O)c2ccccc2n1 1705938127 NLRCFKKTWXDVKP-UHFFFAOYSA-N 496.597 2.026 30 10 JEEE C=CCSCCn1c(Cc2ccccn2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1705947435 LBCRDZIDFFHCFJ-UHFFFAOYSA-N 463.615 2.423 30 10 JEEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCOC2CCOCC2)[C@@H](C)C1 1705997213 HBYDPZMVMNSATE-IBGZPJMESA-N 482.585 2.371 30 10 JEEE CCN(CC)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1710041349 COECAVKESBODJW-UHFFFAOYSA-N 486.642 2.067 30 10 JEEE CCn1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)cn1 1710188480 GYAONDLKYZAGAR-HXUWFJFHSA-N 469.571 2.007 30 10 JEEE COCC[C@](C)(O)Cn1c(-c2cccc(Br)c2)nnc1N1CCO[C@H](C#N)C1 1712317204 DTPGVSWCFFTWFX-APWZRJJASA-N 450.337 2.224 30 10 JEEE C#CCCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1722308606 ONKDXPHSWIJGPP-OAQYLSRUSA-N 498.603 2.342 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CCN1CCOCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1722358775 GCQGJXNNZRUUOH-JOCHJYFZSA-N 485.654 2.245 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCCC)[C@@H]1CCS(=O)(=O)C1 1722359478 NGJBFLYQYZAWQC-QGZVFWFLSA-N 462.572 2.398 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCO[C@H]1C(=C)C)[C@H]1CCS(=O)(=O)C1 1722365565 DQDMAZHIUINVHB-ZJOUEHCJSA-N 455.584 2.256 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1722434610 WPSZPSFJLHEVBS-HNNXBMFYSA-N 477.432 2.439 30 10 JEEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1722453943 DYQWRLFCEQPEAT-UHFFFAOYSA-N 469.036 2.268 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2OC)CC1 1722553859 AEZOZQGLXDPLRP-MRXNPFEDSA-N 451.980 2.268 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN1C(=O)OC(C)(C)C 1722681651 PGJOZQJVMAYUHN-QZTJIDSGSA-N 483.635 2.219 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCc2ccc(S(C)(=O)=O)cc2)C1 1722709308 NDQVIEHQOMWPPT-LJQANCHMSA-N 496.593 2.353 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccc1SC 1722729156 XEODGMIIURYBAN-QGZVFWFLSA-N 484.669 2.139 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CCCN(C(=O)C2CC2)CC1 1722731544 NFBADSGYIROKHZ-UHFFFAOYSA-N 491.589 2.046 30 10 JEEE C=CCSCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC(=O)N(C)[C@@H](C)C1 1722731965 FLNSTUCXSWYSCQ-HNNXBMFYSA-N 477.660 2.133 30 10 JEEE CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)OC)CC1 1728399727 GTEXJUOTNGTYKK-UHFFFAOYSA-N 453.591 2.232 30 10 JEEE C#CCN(c1nnc(-c2cc(C)nc3ccccc23)n1CCNC(=O)C(C)C)[C@H]1CCS(=O)(=O)C1 1740619395 NYRRNSXCDQFVKQ-IBGZPJMESA-N 494.621 2.201 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H]1CC[C@@](C)(CC)O1)[C@H]1CCS(=O)(=O)C1 1740626073 RTQZJZGAXMNWSP-SXWKCWPCSA-N 457.600 2.238 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)N[C@@H](C)c1ccccc1 1740671770 OCBOIPQPLVBIBT-FPOVZHCZSA-N 488.658 2.200 30 10 JEEE C=C(Br)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N(C)[C@@H](C)CC(N)=O 1740747153 AFRCWYPHNLVLOS-SFHVURJKSA-N 490.450 2.252 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(C)o1 1740760065 GLAMKZBQHJPNJR-SXLOBPIMSA-N 479.603 2.130 30 10 JEEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(O)(c2c(F)cccc2F)CC1 1740777681 XTYJXKIEVHCWQX-AWEZNQCLSA-N 455.531 2.231 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCSC2(CCOCC2)C1 1740954947 UFQMTRFFUSVWAL-UHFFFAOYSA-N 458.544 2.258 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 1740966156 QATKSVZJDYGYAC-LJQANCHMSA-N 456.503 2.388 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H](COC)C1 1740987380 SXCOJKMQRMITPX-CQSZACIVSA-N 472.409 2.499 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1740994818 UIJNJVCNBUPAAI-AVRDEDQJSA-N 452.621 2.386 30 10 JEEE COC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1748359315 DWGCIDZASCCFMO-HSZRJFAPSA-N 481.645 2.473 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)CNC(=O)OC(C)(C)C 1749053838 MSYRPSMZWPTZCU-CKJXQJPGSA-N 468.624 2.041 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](OCC2CC2)C1 1749119467 SJPPWPKMNUREMJ-AFYVEPGGSA-N 467.636 2.265 30 10 JEEE C=C(C)COCCn1c(CC2CCCC2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1749235738 VPZHOTJRPJBNHA-UHFFFAOYSA-N 453.591 2.424 30 10 JEEE C=CC[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C)C(=O)[C@@H]1C)c1ccccc1 1749385785 UIDDFLRXFRNXRS-SXLOBPIMSA-N 457.600 2.207 30 10 JEEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1749677896 ODOPMZDPONNMRY-NTKDMRAZSA-N 455.559 2.242 30 10 JEEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1749740322 CLIOCLJDBDRIEC-QGZVFWFLSA-N 454.560 2.156 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCCN1c1cnn(C)c1 1760103007 WTIQEELBLBCNTM-IEBWSBKVSA-N 467.599 2.209 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@@H]1CCC[C@H]1OC)[C@H]1CCS(=O)(=O)C1 1760183124 MOZMQRAIAHOWCC-IRFCIJBXSA-N 458.584 2.396 30 10 JEEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC[C@@H](C)c1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1760189182 SBQKWPKAMYAVRL-LMNJBCLMSA-N 485.610 2.058 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1C[C@@H](c1ccc(C)cc1)N1CCOCC1 1760208560 VTYSYYIDDYTDOL-DEOSSOPVSA-N 474.609 2.359 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccncc2)n1C[C@@H]1CCS(=O)(=O)C1 1760243554 NZVYNCZTXJXVRO-FQEVSTJZSA-N 453.543 2.478 30 10 JEEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCC(N2CCCNC2=O)CC1 1760301538 CZVPRDWLLODQAJ-OAHLLOKOSA-N 471.400 2.295 30 10 JEEE C=C(Br)Cn1c(-c2cnccn2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1760305664 MSHHNIBXFNCLTP-LSDHHAIUSA-N 464.368 2.011 30 10 JEEE C=C(C)COCCn1c([C@H]2COc3ccccc3O2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1760357642 KTYVYEBECMQDJK-YLJYHZDGSA-N 462.572 2.397 30 10 JEEE C=C(Cl)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1760370720 BJKJPTPWAVSLIU-AWEZNQCLSA-N 455.968 2.185 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1760412675 PKKCQJMFQQYPOP-HZPDHXFCSA-N 450.565 2.052 30 10 JEEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@]1(N2CCOCC2)CCSC1 1760457073 FRGNSTVLAYWIKA-JOCHJYFZSA-N 477.656 2.179 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)C1CCC(NC(C)=O)CC1 1760517886 BGQBTFJLCQPDHT-UHFFFAOYSA-N 470.574 2.148 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)CN2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)nc1C 1858631117 GWNQVCCIPHBVFQ-UHFFFAOYSA-N 492.623 2.356 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)COc3cccnc3NC(=O)N[C@H](CC)C(=O)O)cc21 1858806904 GITJYBOMBVFNLF-OAHLLOKOSA-N 468.466 2.239 30 10 JEEE COc1cc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2CCN(C)C)cc(OC)c1OC 1862567061 JOWLGWCSIZHGQF-HXUWFJFHSA-N 455.511 2.435 30 10 JEEE C=CCOc1ccccc1[C@H]1C(C(=O)N2CCN(C)CC2)=C(N)Oc2c1c(CCC)nn2C 1865225167 UNOZKPNUAPFTOH-HXUWFJFHSA-N 451.571 2.406 30 10 JEEE C=CCn1cc(OCC(=O)OCCOc2ccccc2)c(=O)cc1CN1CCC2(CC1)OCCO2 1870328716 MSEJCYQGTIZLGV-UHFFFAOYSA-N 484.549 2.374 30 10 JEEE C=CCn1cc(OCC(=O)OCCOC)c(=O)cc1CNc1cc(OC)c(OC)c(OC)c1 1870904162 JIMYROKWMDMVPE-UHFFFAOYSA-N 462.499 2.241 30 10 JEEE C=CCN(CC=C)c1nc(=NCCN(CC)CC)[nH]c(=Nc2ccc(OC)c([N+](=O)[O-])c2)[nH]1 1871705171 BMMKDABMQMPTLK-UHFFFAOYSA-N 456.551 2.308 30 10 JEEE CCCNC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)(C)C)C2)n1/N=C/c1ccc(O)c(O)c1 1874274890 WGNYBGBSYKPYQR-OWLNGIFZSA-N 474.587 2.304 30 10 JEEE N#Cc1cccnc1OC1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccc(F)c2)CC1 1891876963 VFKVUVNKHOCGPV-HXUWFJFHSA-N 458.515 2.315 30 10 JEEE CC1(C)OB([C@H]2[C@@H]3CN(S(=O)(=O)CCCN4C(=O)c5ccccc5C4=O)C[C@@H]32)OC1(C)C 1978281211 JCAKXSFSJZPXIQ-PIIMJCKOSA-N 460.361 2.027 30 10 JEEE C=C1C[C@@H]2[C@]3(C)CCC(=O)C(C)(C)[C@@H]3C(=O)[C@H](O)[C@]2(C)[C@]2(C(=O)OC)C(=O)[C@H](C)OC(=O)[C@]12C 2069569204 DTCVESNFTXDLOC-DIDPFNAESA-N 474.550 2.204 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H]1C(=O)NCCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2180981678 WCJLBWINUQXYRH-RBUKOAKNSA-N 460.380 2.015 30 10 JEEE CON(CCNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)OC(C)(C)C 2247953086 RNRCYBCTFLKDIW-UHFFFAOYSA-N 462.399 2.124 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](OCCNC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)C1 2267169107 IDQFXFLWNYTCTA-AWEZNQCLSA-N 467.397 2.198 30 10 JEEE C[C@@H]1CCN(C(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)[C@H](C)[C@@H]1NC(=O)C(F)(F)F 2267484549 GYXSXHBSIREQPC-IJLUTSLNSA-N 461.315 2.360 30 10 JEEE CCN(C(=O)OC(C)(C)C)C1CN(S(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2267708210 GFLGLKUPEWCPHT-UHFFFAOYSA-N 487.453 2.213 30 10 JEEE C[C@H](NC(=O)[C@]1(NC(=O)OC(C)(C)C)C[C@@H](O)C1)c1nscc1B1OC(C)(C)C(C)(C)O1 2268705348 HNKDNLUQUJNPJX-OYMPBJRDSA-N 467.397 2.038 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)CC[C@@H]1C(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)cs1 2268717652 MKMIOMFZRFXHGQ-NVXWUHKLSA-N 466.409 2.424 30 10 JEEE Cc1csc(CNC(=O)[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2268787050 UCNHSMYNXUIHTB-JOCHJYFZSA-N 466.409 2.344 30 10 JEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](CNc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)[C@H]1OC 2279465336 KVQQKIDBQOWADL-ZHALLVOQSA-N 463.384 2.442 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1[C@@H](CNC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C2 2281927328 YGFZPFSWDCDFBN-UXLLHSPISA-N 460.384 2.474 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@]23C[C@@H](CNC(=O)OC(C)(C)C)C3)n1 2282043503 JTZLZEJUAWIWIN-CWSKOGRWSA-N 460.384 2.239 30 10 JEEE CO[C@@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)[C@H](CNC(=O)OC(C)(C)C)C1 2282192820 COCHBOJUFWLZKE-DLBZAZTESA-N 463.384 2.458 30 10 JEEE CC(C)(C)OC(=O)NCC1(NS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CCCC1 2282352000 IWEHORJGVHQVSV-UHFFFAOYSA-N 481.424 2.497 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C 2282581180 DPYGATMWEAEDBK-ZBFHGGJFSA-N 462.400 2.261 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@]23C[C@@H]2CN(C(=O)OC(C)(C)C)C3)n1 2282590224 YHARPPAJAXZYOM-CMJOXMDJSA-N 460.384 2.189 30 10 JEEE COCCN(C(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1)C1CN(C(=O)OC(C)(C)C)C1 2282673726 AHKYGXTZCHZEBX-UHFFFAOYSA-N 461.368 2.089 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H](CNS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282864812 LCSSGHOTMIEOEW-WBVHZDCISA-N 481.424 2.353 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](NS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C12CC2 2282867633 BLLOZYFEXBWRAP-QGZVFWFLSA-N 479.408 2.201 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(O)cc2O)C1 2282915848 OUXYCMKEXVBOKS-OKILXGFUSA-N 462.352 2.430 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(O)cc1O 2282989206 ZXDNVTOXIVYUTQ-BBRMVZONSA-N 462.352 2.430 30 10 JEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)C1NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2283061594 QEIIYJYYBBRZJW-GJZGRUSLSA-N 460.384 2.397 30 10 JEEE COC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2cccc(B3OC(C)(C)C(C)(C)O3)c2C1 2283926990 VJDRYKQUTLJASO-IBGZPJMESA-N 460.380 2.410 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(OC[C@@H]2CCS(=O)(=O)N2C(=O)OC(C)(C)C)n1 2337042306 QKSUUOGQEWXCLI-INIZCTEOSA-N 468.381 2.407 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCCC12CN(C(=O)OC(C)(C)C)C2 2362357440 NSQHSKOZPPHKDK-HNNXBMFYSA-N 460.384 2.239 30 10 JEEE NC(N)=NS(=O)(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccccc2)cc1 96336822 MFQXOGSSKZHCEC-FQEVSTJZSA-N 476.514 2.432 30 10 JEEE CCOC(=O)C1=C(N)n2c(sc(=Cc3ccc(F)cc3)c2=O)=C(C#N)[C@@H]1c1ccc(F)cc1 252671186 MXOXHZUUWARKQY-IBGZPJMESA-N 465.481 2.179 30 10 JEEE COC(=O)c1ccc(NC(=O)CSc2nnc(N/N=C/c3cc([N+](=O)[O-])ccc3O)[nH]2)cc1 253579345 ZNDCECBVPHPNBG-AWQFTUOYSA-N 471.455 2.382 30 10 JEEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCN(C(=O)c3ccc(OC)c4ccccc34)C2)CC1 680516407 CJERQCZIRDPICV-HXUWFJFHSA-N 478.593 2.147 30 10 JEEE CN(CCOC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(=O)OC(C)(C)C 731140529 UEUYMQXBQDGWNU-UHFFFAOYSA-N 451.545 2.369 30 10 JEEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)c1 749125684 ATIRDRYQAMDKEU-RTAFMGCNSA-N 496.636 2.353 30 10 JEEE COCCSc1nnc(NC(=O)CSc2n[nH]c(NN=Cc3cccc(OC)c3O)n2)s1 1084319529 JGLLTVXMVBQOQM-UHFFFAOYSA-N 496.600 2.286 30 10 JEEE C=CCOc1ccc(COC(=O)c2cccc(S(=O)(=O)N3CCN(C(C)=O)CC3)c2)cc1 1127854792 VJDYLLJUCVLRBX-UHFFFAOYSA-N 458.536 2.461 30 10 JEEE C#CCNC(=O)CN1CCCN(C(=O)c2cc(Br)cc(Br)c2)CC1 1136632565 BZSBZEBUFDMSTL-UHFFFAOYSA-N 457.166 2.109 30 10 JEEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCCc1cccc(OCC(F)(F)F)c1 1138732995 DXJJWYOQPZZNFS-UHFFFAOYSA-N 455.458 2.415 30 10 JEEE C#CCN(C(=O)CCc1c(C)nc2nc(N)nn2c1C)C1CCN(C(=O)OC(C)(C)C)CC1 1161798463 XXJJZRDUSKXBKM-UHFFFAOYSA-N 455.563 2.117 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OCC)CCOC3)n2CCN2CCCC2)c1 1286308599 KOIBWOQCYOLAAF-VWLOTQADSA-N 466.586 2.082 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OCC)CCOC3)n2C[C@H]2CCN(CC)C2)c1 1286310390 YBKVSZWDHAAOSJ-LVXARBLLSA-N 480.613 2.328 30 10 JEEE C#CCCCn1c(N2CCN([C@@H](C)C(=O)NC3CC3)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1286359646 GKEAOPGVDNYGAM-IRFCIJBXSA-N 499.660 2.251 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1C[C@@H]1CCCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 1286388902 WRMXVAAAXWISJA-LPHOPBHVSA-N 497.042 2.050 30 10 JEEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@]1(O)CCC[C@@H]1C 1286466426 GQISWMWVDWSIPG-CYFREDJKSA-N 453.591 2.089 30 10 JEEE C#CCSCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCN2C(=O)NC[C@@H]2C1 1286500741 XXCHMMNHUSXCQH-CQSZACIVSA-N 491.415 2.296 30 10 JEEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](O)(c2cccc(F)c2)C1 1286542747 XEWAUBGONMPNKE-IFXJQAMLSA-N 485.379 2.326 30 10 JEEE C=C(Br)Cn1c(N2CCC[C@@H](n3cncn3)C2)nnc1[C@]1(OCC)CCOC1 1286549101 SRLDGMUVWCLEGE-QAPCUYQASA-N 452.357 2.272 30 10 JEEE CCCn1nc(-c2nnc(N(C)[C@@H](C)CC#N)n2CCCS(C)(=O)=O)c2ccccc2c1=O 1294763792 GAIXSXJTBRFWIQ-INIZCTEOSA-N 471.587 2.238 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2ccccc2OC)CCC1 1300309978 WCOGHHXLEDOWNC-WIYYLYMNSA-N 487.626 2.199 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCO[C@H]1C(=C)C)[C@@H]1CCS(=O)(=O)C1 1300489932 WFMNZAIVHYFMNW-BDTNDASRSA-N 465.579 2.425 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(Cl)c2)n1CCNS(=O)(=O)Cc1ccon1 1300561983 WWZLLZWZFYMTSR-UHFFFAOYSA-N 472.958 2.169 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCOC2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1300884937 NBGMEWGPUAAJDN-WCIQWLHISA-N 477.606 2.493 30 10 JEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](c2cccc(F)c2)N(C)C)CC1 1301067040 WTOMZFBSBJKJPP-QFBILLFUSA-N 450.584 2.487 30 10 JEEE C=CC1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CCC(=O)N(C)C)CC1 1301110036 RYMSFGPSJQTZRL-UHFFFAOYSA-N 459.620 2.427 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)n(C)c1=O 1301402610 OKPIGJPZEMRAFA-QFIPXVFZSA-N 481.622 2.471 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](C2CC2)C1 1301502832 PZQFDPRROBHATC-ZWKOTPCHSA-N 460.579 2.125 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC[C@@H](OCC(F)(F)F)C2)nnc1[C@]1(OC(C)C)CCOC1 1301517655 AJDOOZDLBVIQAC-UZLBHIALSA-N 475.512 2.169 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1C[C@H](C)CC[C@H]1C 1301579439 RTFVPAIHRGGEAI-IAGOWNOFSA-N 480.660 2.464 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N(C)CC1COC(C)(C)OC1 1301586167 INQSODMHDIDRIM-UHFFFAOYSA-N 454.618 2.367 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccc(C)n3)n2C[C@@]2(C)CN(C)C2=O)c1 1358902145 GDCSHLXNSHIYTA-RUZDIDTESA-N 457.538 2.183 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CCCNC(=O)C1CCC1)[C@H]1CCS(=O)(=O)C1 1358958983 ZNIGAWURWMDJIF-QFIPXVFZSA-N 483.638 2.441 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H](CC)Oc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1358963656 LWQKGHVTHKRFBR-RLLQIKCJSA-N 476.574 2.405 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H](OCC)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1358964002 RGIAAKYZWPVWHJ-HKBOAZHASA-N 458.584 2.187 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCC1CCOCC1 1359023728 UEYHHEGZMOEWIU-UHFFFAOYSA-N 464.570 2.485 30 10 JEEE C=C(Br)Cn1c(N2CCC[C@H](CC(N)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1359088269 GLWFSZKIZRPXNQ-BEFAXECRSA-N 456.385 2.319 30 10 JEEE C=C(C)COCCn1c(-c2ccccc2F)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1359130246 CZNZGJGUTBBDQW-LJQANCHMSA-N 493.605 2.308 30 10 JEEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(=O)c2ccc(Cl)cc2)CC1 1359287737 SJYOOLWZRFPIDH-QGZVFWFLSA-N 463.991 2.372 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCCN(C(=O)c2cccc(C)c2)CC1 1359297757 ATPDAUKVBFVESW-UHFFFAOYSA-N 459.554 2.303 30 10 JEEE C=CCNC(=O)Cn1c(N2CCN(C(=O)OCC)CC2)nnc1C1(c2ccccc2)CCC1 1359306072 VCFKZVWXAXNCOQ-UHFFFAOYSA-N 452.559 2.329 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2ccc(OC)c(OC)c2)C1 1359321388 FWBOAGIEWFFJNW-MOPGFXCFSA-N 476.599 2.221 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](CC)c2ccccc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1359328219 XGQCUAQVYJEISM-XUVXKRRUSA-N 457.600 2.136 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC(C(=O)c2ccc(O)cc2)CC1 1359333163 POIUGECPDLWWHL-IBGZPJMESA-N 474.583 2.188 30 10 JEEE C=CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1359336558 URJISEHJHYQWNY-HXUWFJFHSA-N 455.650 2.131 30 10 JEEE C=C(C)CN1CCC(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)CC1 1464907326 LOCIMDYIBBNRMH-QGZVFWFLSA-N 450.561 2.152 30 10 JEEE CN(C)CC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1503391007 HFHIZNWKYVRZIC-UHFFFAOYSA-N 488.600 2.106 30 10 JEEE CN(Cc1ccc(C#N)cc1)c1nnc(Cc2cn3ccccc3n2)n1CCCS(C)(=O)=O 1503463493 DIKPZSPVYURJLN-UHFFFAOYSA-N 463.567 2.459 30 10 JEEE COCC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCCCC2)CC1 1504537363 CFURAURDXIYZNO-UHFFFAOYSA-N 465.602 2.424 30 10 JEEE N#CCC1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CC(=O)NCC(F)(F)F)CC1 1505323130 DFHCSUBLWBVSMK-UHFFFAOYSA-N 491.522 2.261 30 10 JEEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1507583971 YUNMPXMQBJVVTA-SFHVURJKSA-N 471.631 2.345 30 10 JEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CCCC(=O)NC1CC1)[C@@H]1CCS(=O)(=O)C1 1507629143 ZUEDPWRSLUABJJ-LJQANCHMSA-N 476.002 2.284 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCc1c(C)noc1C 1507710642 SBUHEWIFRRNMJV-UHFFFAOYSA-N 461.526 2.126 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1CC1CCN(C(=O)OC)CC1 1507711814 ZQUSOQYWGBPXGE-NRFANRHFSA-N 469.542 2.355 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2CCCOC2CCOCC2)CC1 1507733077 XLFKUZHMARIWFW-UHFFFAOYSA-N 457.550 2.337 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc4c(s3)CCCCC4)n2CCS(C)(=O)=O)CC1 1507734775 XRVXURQFPYRZHE-UHFFFAOYSA-N 489.667 2.286 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CCc2c(OC)cc(OC)cc2OC)CC1 1507742817 QYLOECUVPOEWAP-UHFFFAOYSA-N 455.559 2.075 30 10 JEEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)c1cccs1 1507752140 VUPANKKLQJHSRU-HOTGVXAUSA-N 469.658 2.236 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)SC 1507997993 APKKUNBVTZMTDX-XLIONFOSSA-N 490.655 2.427 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@@H](N2CCCC2)C1 1508072379 HUNRIKVEULFBAF-QGZVFWFLSA-N 476.423 2.413 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCC2(CC1)CNC(=O)C2 1508105730 PNTZHAWYXONEFK-UHFFFAOYSA-N 452.559 2.136 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC(CO)(Cc2ccccc2)CC1 1508140750 QJBTUHKZFAMYMK-UHFFFAOYSA-N 484.626 2.101 30 10 JEEE C#CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1539108868 GQAJWSQGYYSPAR-HXUWFJFHSA-N 453.543 2.203 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H](OC)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1539231183 SPTLAFTYNHSRRW-PZJWPPBQSA-N 485.610 2.417 30 10 JEEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1CCc1ccc(OC)c(Br)c1 1539273248 LYXNMYNIGHYDSP-UHFFFAOYSA-N 470.371 2.487 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCc2ccc(NC(C)=O)cc2)CC1 1539428294 OYYDXWQUDCNOHC-UHFFFAOYSA-N 465.602 2.153 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCOC[C@H]2C)CC1 1539489760 XDGSZTDDORPCCE-KNQAVFIVSA-N 476.581 2.367 30 10 JEEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1540013104 KTTXJZRXPNOIRN-UHFFFAOYSA-N 485.658 2.370 30 10 JEEE C=CCCOCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1540019995 PJMSPQJSAFGUHO-IEBWSBKVSA-N 472.977 2.169 30 10 JEEE C#CCN(C(=O)COc1ccc(S(=O)(=O)N(CC)CC)cc1[N+](=O)[O-])c1nccs1 1540144808 PSFGZJPSQZOHSV-UHFFFAOYSA-N 452.514 2.127 30 10 JEEE CC1(C(=O)N2CCN(C(=O)N3CCOCC3)CC2)CCN(c2ccc(Cl)cc2C#N)CC1 1540698135 CSTOSIILNXLPGM-UHFFFAOYSA-N 459.978 2.415 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1540864381 YAVLUWXHCSMRCS-GOSISDBHSA-N 486.374 2.321 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1540898596 OXRBRUJZJQGLQJ-OAQYLSRUSA-N 493.077 2.416 30 10 JEEE C=CCSCCn1c(N2CCN(c3cc(N4CCOCC4)ncn3)CC2)nnc1C(C)(C)C 1540922668 VISRXNSKVKKBNP-UHFFFAOYSA-N 472.663 2.448 30 10 JEEE CCS(=O)(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCn2ccnc2C)CC1 1548292492 GMGGOSWYTXPNFF-UHFFFAOYSA-N 453.572 2.425 30 10 JEEE Cn1ncc(CCCn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CCC(C#N)CC2)n1 1554364742 FSMRKMONZHGNJQ-UHFFFAOYSA-N 467.965 2.363 30 10 JEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCO[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)c1 1566256629 PNJCDPRYBDIMJC-APWZRJJASA-N 450.557 2.238 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CC(F)(F)Br)c1 1587692754 KMTAPSXWKKYGIE-AWEZNQCLSA-N 481.301 2.273 30 10 JEEE C#CCN(c1nnc(-c2ccccc2)n1CC1(COC)CCOCC1)[C@H]1CCS(=O)(=O)C1 1588045610 NJGXHMQVNVBONS-FQEVSTJZSA-N 458.584 2.015 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC2([S@](C)=O)CCC2)CC1 1588791516 XTYCHUFDINPZPB-YTTGMZPUSA-N 457.600 2.019 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCS(=O)(=O)CC2CC2)CC1 1588871490 FNVWQUDLACBBEK-UHFFFAOYSA-N 478.018 2.091 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3noc4c3COCC4)n2CC(C)(C)SC)CC1 1588923837 NUIBBOVOHFNSAJ-UHFFFAOYSA-N 458.588 2.113 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccnc2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1589516321 ZJFZNXUYOOFFAB-JBACZVJFSA-N 474.631 2.429 30 10 JEEE C=C(C)Cn1c(-c2cccc(OC)c2)nnc1N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 1589731226 DHSCXNBOYJTTBO-FQEVSTJZSA-N 463.604 2.407 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2cccc(OC)c2)C1 1593746516 HNMXBRLFVHEPGM-PZJWPPBQSA-N 476.599 2.359 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CCOC)C(=O)C1 1593777090 VZYYWVFRMRGQEX-IBGZPJMESA-N 492.621 2.238 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1594491606 GEELQWAYAKIHPY-KRWDZBQOSA-N 452.625 2.130 30 10 JEEE C=CCCOCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1594812571 HQAFTPONKXTCLK-OALUTQOASA-N 453.609 2.117 30 10 JEEE C=CCCOCCn1c(Cc2cccnc2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1594819815 MOHYQWLIOAUUJU-QPPBQGQZSA-N 481.645 2.236 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)Cc1ccccn1 1595466999 OUJJIASNCMWDCT-UHFFFAOYSA-N 453.934 2.195 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1595506996 SPKRZSVXRQVBER-IBGZPJMESA-N 464.574 2.381 30 10 JEEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)C[C@@H](C)c1nccs1 1595545048 QGBKILODNHQKQN-QGZVFWFLSA-N 481.630 2.451 30 10 JEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](c2ccc(F)c(F)c2)C1 1595569342 FNAJPPHFMWKSRT-HXUWFJFHSA-N 471.512 2.298 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2C[C@](C)(O)C(C)C)C1 1595713867 GPYWRUYVDAGZOB-JTSKRJEESA-N 462.620 2.427 30 10 JEEE C[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC(C)(C)OC[C@@H]1C)N1CCOCC1 1611600852 HHIYLCXUGKGUBR-OALUTQOASA-N 454.575 2.453 30 10 JEEE Cc1nc(C)c(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CC(=O)N2CCOCC2)s1 1612382583 GNRCXSVIADYSAR-UHFFFAOYSA-N 451.556 2.233 30 10 JEEE C#C[C@H](NC(=O)NCc1ccc(OC)c(S(N)(=O)=O)c1)c1ccc(Br)cc1 1683054899 NOMNUIGTEYBPOD-HNNXBMFYSA-N 452.330 2.279 30 10 JEEE C#CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN2C(=O)OC[C@H]2C1 1689928787 WUZLUEKEUUAZFS-ZWKOTPCHSA-N 458.563 2.447 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CC1C[C@H](C)O[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1689994405 XQPNUSLDLBTZBR-BBTUJRGHSA-N 457.600 2.094 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1nnc2n1CCC2 1690107788 CSYYYNPPJYFCAT-KRWDZBQOSA-N 470.578 2.022 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC(C)(C)N2CCCCC2)CC1 1690136939 LRTUMDMJNVXHMS-UHFFFAOYSA-N 492.628 2.156 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H](C2CC2)N(C)C)CC1 1690140068 KRHFCEJEQGJMNK-IBGZPJMESA-N 455.994 2.300 30 10 JEEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 1690172662 LFLSBHLZSJUNJW-FQEVSTJZSA-N 468.627 2.299 30 10 JEEE C=C(C)COCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1690319509 PNCIHMZUXBQMPF-NZQKXSOJSA-N 466.586 2.478 30 10 JEEE C=CCN(CC=C)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1690583468 LYUOPRAPLUFANR-OALUTQOASA-N 456.570 2.039 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(C(=O)NCCOC)CC1 1690664483 VERFFJZXXDQVRV-UHFFFAOYSA-N 478.956 2.019 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](OCC(C)C)C1 1690672057 GNSPPCWFOYLRMO-MOPGFXCFSA-N 492.621 2.140 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@]2(C1)OCc1ccccc12 1690714241 HYRICVPNTFUFDP-HSZRJFAPSA-N 473.599 2.043 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(Cc2cccc(F)c2)CC1 1690723746 AALMNKISLCZEGP-FQEVSTJZSA-N 477.606 2.234 30 10 JEEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1690749987 WBEYFUWQHLWKCV-UHFFFAOYSA-N 474.553 2.215 30 10 JEEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)N2C[C@@H](C)O[C@H](C)C2)CC1 1690838118 BJMXXIRCRSCHMJ-RTBURBONSA-N 465.602 2.373 30 10 JEEE C#CCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1705509353 HQUBVZYTLAFAGV-UHFFFAOYSA-N 474.525 2.477 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCN(CC)CCC)[C@@H]1CCS(=O)(=O)C1 1705560917 LVBCIWUPIPGGIR-QGZVFWFLSA-N 497.463 2.394 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCSC1(C)C)[C@H]1CCS(=O)(=O)C1 1705561096 NGZHOQLDDNQROD-SPEDKVCISA-N 482.672 2.089 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1CC(C)(C)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1705565834 WWDTXRQVOVJLGV-SFHVURJKSA-N 488.614 2.270 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(OCc3ccccn3)cc2)CC1 1705632333 MOBXTRVEFUKEKP-UHFFFAOYSA-N 473.581 2.194 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(OCC)cc3)n2Cc2ccc(C(N)=O)nc2)CC1 1705633664 VNGBRYUJTDRVOL-LJQANCHMSA-N 489.580 2.114 30 10 JEEE C#CCSCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCO[C@H](C(=O)NC)C1 1705653218 BZVDRVONJLVBPP-QUCCMNQESA-N 457.600 2.353 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCn1ccnc1C 1705670464 VNYOVOUODRFYFJ-HSZRJFAPSA-N 467.599 2.393 30 10 JEEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2ccc(OC)c(F)c2)CC1 1705725515 FKIKAPRRWNALKA-GOSISDBHSA-N 463.579 2.226 30 10 JEEE C=CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2[C@@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1705887672 UHQNJFYHRRXNCI-QYZOEREBSA-N 484.582 2.129 30 10 JEEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1705890385 MQXHBHQLBOTQOO-DEOSSOPVSA-N 487.605 2.393 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1705897914 WSWRFTHIFDQOGM-QRVBRYPASA-N 468.558 2.272 30 10 JEEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 1705944264 ZSZYSXZYIIODQQ-SFHVURJKSA-N 458.563 2.250 30 10 JEEE COCCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1712454464 GXTDDMWTXXQZTG-ROUUACIJSA-N 475.594 2.243 30 10 JEEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)C[C@H]1OC 1712684718 FHEIZNFRDFEIHG-DHNNRRLOSA-N 498.628 2.467 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccccc1S(=O)(=O)N(C)C 1722298599 FZMWPXAWETVPFL-MRXNPFEDSA-N 486.623 2.026 30 10 JEEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1722311599 YLYYTWFEZRCCGC-FQEVSTJZSA-N 452.584 2.329 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1ccc(C(=O)NCC)cc1)[C@@H]1CCS(=O)(=O)C1 1722368905 XDQQZTMXJCYMJO-HXUWFJFHSA-N 471.627 2.291 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(-n2ccnc2)c(F)c1 1722369852 BDBYQYRBCXPPGU-UHFFFAOYSA-N 454.469 2.371 30 10 JEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ccc(C(=O)NCC)cc1 1722384850 YNQUBTGFZNVMLG-UHFFFAOYSA-N 482.592 2.323 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1722435321 GMQMCSMHTMNCMI-CLOONOSVSA-N 469.586 2.036 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCCOc2ccc(F)cc2)CC1 1722440196 APXOBCNSCHIOFK-UGKGYDQZSA-N 457.550 2.366 30 10 JEEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@H](NC(=O)CC)C1 1722457320 AYLKOXSYWICPOE-KRWDZBQOSA-N 479.610 2.053 30 10 JEEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1722530155 ATJIVOKOLQJENT-KRWDZBQOSA-N 477.587 2.218 30 10 JEEE C=CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1722608238 ZHEQLPITDVRTIP-GOSISDBHSA-N 452.625 2.167 30 10 JEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(Cn2nc(C)cc2C)CC1 1722617565 KJUMXUWFGLRYKE-OAQYLSRUSA-N 491.662 2.307 30 10 JEEE C=CCN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1)C1CC1 1722644327 WRSATQRMDAHROC-KRWDZBQOSA-N 493.033 2.298 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1722671658 AZKVUEDBNJEXTD-VXKWHMMOSA-N 471.627 2.260 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCSC[C@@H]2C)cc1 1722703304 YWJCXPCHRPZWPW-JKSUJKDBSA-N 451.618 2.443 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCCS(=O)(=O)C2)C1 1722714299 KEMTYAHWXKDUDW-VQIMIIECSA-N 461.544 2.459 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C 1722867390 GDDQPAAOUHKTOH-BRWVUGGUSA-N 468.624 2.279 30 10 JEEE CC(C)c1nc(CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C#N)CC2)cs1 1723130584 CHTWNNAQYOOQIC-GOSISDBHSA-N 493.659 2.174 30 10 JEEE CCOC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2CCN(C(C)=O)CC2)CC1 1728695731 DXIRXNCTJXYTRI-UHFFFAOYSA-N 465.558 2.354 30 10 JEEE COCC[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1730624502 DXBAURBHIOKWAC-PXDATVDWSA-N 481.601 2.186 30 10 JEEE C#C[C@H](C)N(C)c1nnc(CSc2ccccc2OC)n1C[C@H]1CCCN1S(C)(=O)=O 1740559034 JCPZWXPWXXIPSF-DLBZAZTESA-N 463.629 2.461 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)(C)C)n2C[C@@H]2CCS(=O)(=O)C2)c1 1740564339 KAVLTVGFCUKNNM-SFHVURJKSA-N 457.600 2.358 30 10 JEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 1740581282 UNEVRQVFENLLEZ-CRAIPNDOSA-N 483.541 2.481 30 10 JEEE C#CCN(c1nnc(C2CCCC2)n1Cc1ccc(OC)nc1OC)[C@H]1CCS(=O)(=O)C1 1740623236 QGLPGOKNMWQXOD-SFHVURJKSA-N 459.572 2.023 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(C(=O)N(C)C)CCCC1 1740664568 VNPDKLZRJDBMKC-UHFFFAOYSA-N 457.600 2.457 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCCN2CCCC[C@H]2C)CC1 1740693184 UPPCAWWYUDEKRG-RCZVLFRGSA-N 458.651 2.338 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@]2(O)CCO[C@H]2C)CC1 1740702589 SSMOEYXSTVSBLZ-RPPIVITFSA-N 485.560 2.063 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC(C)(C)CN2CCCC2)CC1 1740703394 QWDHZVGKMIBHFL-AREMUKBSSA-N 486.661 2.018 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H](C)COC)CC1 1740710326 WOTWLKYMMNWYOO-RLLQIKCJSA-N 488.633 2.297 30 10 JEEE C=C(Cl)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1740814962 IYSHYYSWOMKZKA-UHFFFAOYSA-N 472.977 2.154 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCCSC2)CC1 1740840389 XUJYYJKHHQYLJI-QZTJIDSGSA-N 455.650 2.157 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC2(CCCC2)C1 1740850000 AGAAZMGWLZHWBO-SFHVURJKSA-N 467.636 2.363 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCC(C(=O)NC)CC1 1740955430 UNPQLKOJWYHILM-UHFFFAOYSA-N 470.574 2.006 30 10 JEEE CNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(CCNC(C)=O)Cc1ccc(C)s1 1748276905 BFOHORXUSFWAQY-UHFFFAOYSA-N 465.583 2.466 30 10 JEEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCCSc1ccccc1)[C@H]1CCS(=O)(=O)C1 1748816048 WBLRGZQYAFYQLT-PKOBYXMFSA-N 473.624 2.038 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(OC)c2)n1Cc1cccc(N2CCOCC2)n1 1748951309 XLWCIBCRDPMIGB-UHFFFAOYSA-N 462.554 2.320 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1CC1CCN(CCN(C)C)CC1 1749051751 LZIQFXPWRONVGK-RUZDIDTESA-N 464.618 2.191 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@]1(O)CCN(C)C1 1749080859 VWNMXRJBGKUWIG-NTUVXCKYSA-N 458.607 2.409 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ncc(F)cn2)CC1 1749101849 GZNWQDKOKVTOPJ-CQSZACIVSA-N 452.332 2.336 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccccc2C)nnc1N1CCN(CC(=O)NCC)CC1 1749134336 XLIMOEATSPMYSQ-WIOPSUGQSA-N 466.630 2.417 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCN2C[C@@H](C)C[C@@H](C)C2)CC1 1749303814 PSCFQUHDSPRJPX-QHAWAJNXSA-N 480.679 2.135 30 10 JEEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1749450473 IIOUGWBHZIPEDC-UHFFFAOYSA-N 473.666 2.102 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc(-c2cnccn2)n1CCC(=O)N1CCOCC1 1749547043 JPOKOVDZNZCVKC-UHFFFAOYSA-N 451.506 2.316 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCO[C@@H](Cn2cccn2)C1 1749658833 WDKCTSDMNNKJGI-QGZVFWFLSA-N 471.949 2.011 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@]2(C)CN(C)C2=O)C1 1749694173 PDNFPANXLXZVFH-FDDCHVKYSA-N 472.977 2.121 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(CCN2[C@@H](C)CC[C@H]2C)CC1 1749731382 CHMXPSIHACSDSI-BGYRXZFFSA-N 464.680 2.141 30 10 JEEE CC(C)COc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)cc1 1750853487 HVAREUMKTPKBCI-IERDGZPVSA-N 464.567 2.413 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CC(C)(C)CC)CC1 1760267412 KRJYNHNJZUUDEX-UHFFFAOYSA-N 461.574 2.323 30 10 JEEE C=CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CCN1CCN(C)C(C)(C)C1 1760504045 ULQNWSUKUOOLST-UHFFFAOYSA-N 480.617 2.259 30 10 JEEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1760513659 UMSOAYJHFYADKK-HNNXBMFYSA-N 462.576 2.186 30 10 JEEE C=CCOc1ccc(Cn2c(Cc3csc(C)n3)nnc2N2CCN(S(C)(=O)=O)CC2)cc1 1760531304 KDJQGHOJLZKUCO-UHFFFAOYSA-N 488.639 2.329 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN(C(=O)c2ccc(C)cc2)CC1 1760552576 SQCKYZMRCJXHRU-UHFFFAOYSA-N 480.594 2.212 30 10 JEEE CC(=O)Nc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@](C)(C#N)C2)cc1 1760626590 HBJTUACTGFUEBK-BTYIYWSLSA-N 459.576 2.025 30 10 JEEE CC(C)C(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1760858089 BIRFNYXLSKWSAZ-VQTJNVASSA-N 452.559 2.364 30 10 JEEE C=CCN(CC=C)C(=O)[C@H]1CCCN1C(=O)[C@H]1CC(=O)N(CCc2ccc(OC)c(OC)c2)C1 1862163061 YARYBBWGUANBBU-LEWJYISDSA-N 469.582 2.286 30 10 JEEE O=C(NCCCCCCO)[C@@H](Cc1c[nH]c2ccccc12)N=C1NS(=O)(=O)c2ccccc21 1869932242 YCRGJVOQRSDGFV-OAQYLSRUSA-N 468.579 2.487 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)Nc2ccccc2OC)cn1CCN1CCOCC1 1870747751 NMVCTSBUNDUZBP-UHFFFAOYSA-N 496.608 2.381 30 10 JEEE CC(C)(C)N1C[C@@H](c2nnc(SCC(N)=O)n2/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)CC1=O 1874273581 DQKXHEAEYLFWDW-WHQXGRPESA-N 479.950 2.414 30 10 JEEE C=CCn1c(C(=O)N(CCO)CCCC)cc2c(NCc3ccc(S(N)(=O)=O)cc3)ncnc21 1875230303 STNVDKGCEKLDTO-UHFFFAOYSA-N 486.598 2.111 30 10 JEEE Cc1ccc(N2C[C@@H](C(=O)N3CCC(OCC#CCN4CCN(C(C)C)CC4)CC3)CC2=O)cc1 1889545127 WBHMQXGNMZPLCZ-DEOSSOPVSA-N 480.653 2.385 30 10 JEEE CN(C)CC#C[C@H]1CCCN1C(=O)C[C@H]1CSc2nc3c(cnn3-c3ccccc3)c(=O)n21 1890525114 RZOCQMYBIRKDDB-HKUYNNGSSA-N 462.579 2.175 30 10 JEEE CN[C@](C#N)(Cn1c(C)nc(I)c1I)C1CC1 1941556874 RSRHQHFCWOZFCU-LLVKDONJSA-N 456.069 2.293 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)[C@H](O)C1 2255656439 AFIMZKBPZREFPO-HZPDHXFCSA-N 452.382 2.147 30 10 JEEE Cc1cc(C(=O)N2CC(O)(CNC(=O)OC(C)(C)C)C2)sc1B1OC(C)(C)C(C)(C)O1 2255675419 AQYNRGHMOKYJFX-UHFFFAOYSA-N 452.382 2.067 30 10 JEEE CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2255811428 RLYVZNCOVYVSRM-HOTGVXAUSA-N 452.382 2.411 30 10 JEEE C[C@H](CCNC(=O)OC(C)(C)C)NC(=O)c1nn(C)c(Cl)c1B1OC(C)(C)C(C)(C)O1 2255819979 JSWCBWSWOAHDSJ-GFCCVEGCSA-N 456.780 2.406 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 2267120171 GMONFVXYNCXKME-AWEZNQCLSA-N 467.397 2.116 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CNS(=O)(=O)c3cscc3B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2267469320 SYCALNYKCPUFDF-QKDCVEJESA-N 484.449 2.439 30 10 JEEE CO[C@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)oc2C)C[C@H]1NC(=O)OC(C)(C)C 2267501933 FXEQFBNEORQRKO-CVEARBPZSA-N 450.341 2.251 30 10 JEEE C=C(CS(=O)(=O)N1CC[C@H]2OCCN(Cc3ccccc3)[C@@H]2C1)B1OC(C)(C)C(C)(C)O1 2267723654 XKGLUZVZTGBUGL-NHCUHLMSSA-N 462.421 2.479 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(=O)O)N(c2nccc(B3OC(C)(C)C(C)(C)O3)c2F)C1 2280755975 ARAUXEAFZZQLAM-ZFWWWQNUSA-N 465.331 2.467 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2F)[C@H](CO)C1 2281790988 WGWHGHOVEJCFIU-INIZCTEOSA-N 464.343 2.179 30 10 JEEE CC(C)(C)OC(=O)N1CC2(COC[C@H](CNC(=O)[C@H]3C[C@@H](B4OC(C)(C)C(C)(C)O4)C3)O2)C1 2281949037 DVWCHBGCUUDVCX-BBWFWOEESA-N 466.384 2.380 30 10 JEEE Cn1nc(C(=O)N2[C@H]3CCC[C@H]2CN(C(=O)OC(C)(C)C)C3)cc1B1OC(C)(C)C(C)(C)O1 2281966331 ORHGZVGVYPWYHP-HOTGVXAUSA-N 460.384 2.333 30 10 JEEE Cc1nn(C)c(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2(C)C)c1B1OC(C)(C)C(C)(C)O1 2281980707 CZPBFNMPZCGPFP-UHFFFAOYSA-N 462.400 2.499 30 10 JEEE CC(C)(C)OC(=O)N1CC(F)(F)C[C@@]1(C)CNC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2281984371 CCWBBPPRJJUYCJ-FQEVSTJZSA-N 470.326 2.474 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@@H]([S@@](C)(=O)=NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2281984540 DAPBJGJRPVKPEF-LHRCYKKBSA-N 482.412 2.346 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C[C@H]1C(F)(F)F 2281986120 ONLOMLRYFQWFFG-ZDUSSCGKSA-N 474.289 2.333 30 10 JEEE Cc1nn(C)c(C(=O)N[C@H]2C[C@@H](C)CN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2281987922 FPBYSRABYXEOFB-ZBFHGGJFSA-N 462.400 2.403 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)[C@H](CO)CC1 2282193929 SNGYMTPCUDZFKU-RDJZCZTQSA-N 463.384 2.052 30 10 JEEE Cn1ncc(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 2282523592 ADLFZUYYEGFXTH-DJIMGWMZSA-N 460.384 2.237 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](CO)[C@H](NC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)CC1 2282523612 ALFQERUBBROSNA-LSDHHAIUSA-N 481.424 2.180 30 10 JEEE Cc1c(C(=O)N(C)C[C@H]2CCN(C(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282561727 UIMZPPYBBULMQR-MRXNPFEDSA-N 462.400 2.357 30 10 JEEE Cn1cc(C(=O)NCc2ccnc(NC(=O)OC(C)(C)C)c2)c(B2OC(C)(C)C(C)(C)O2)n1 2282580469 UFQPBHPEDKEMKZ-UHFFFAOYSA-N 457.340 2.391 30 10 JEEE CCn1cc(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 2282586576 ACIQGKBDBOPZNY-HOTGVXAUSA-N 466.363 2.280 30 10 JEEE CN(CCOCCN(C)C(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)OC(C)(C)C 2282672962 PBDPJSUZNDOMHO-UHFFFAOYSA-N 463.384 2.336 30 10 JEEE COc1ccc(NC(=O)[C@@H]2COC[C@H]2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2283968960 HJMQSKLYZXGSCJ-CRAIPNDOSA-N 462.352 2.473 30 10 JEEE C[C@H](NC(=O)[C@]1(O)CCCN(C(=O)OC(C)(C)C)C1)c1nscc1B1OC(C)(C)C(C)(C)O1 2284065737 LBFRUPZHCBVHAQ-FPTDNZKUSA-N 481.424 2.382 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1S(=O)(=O)N[C@H](COCc1ccccc1)C(=O)O 2284395237 JGQBZIVJFRXVHP-LJQANCHMSA-N 475.372 2.243 30 10 JEEE NC(=O)CSc1nnc([C@H]2CC(=O)N(Cc3ccccc3)C2)n1N=Cc1ccccc1[N+](=O)[O-] 2325917835 PYSOBMYKBUFWPY-KRWDZBQOSA-N 479.522 2.162 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H](C)C[C@@H](NC(=O)OC(C)(C)C)C2)n1C 2362494769 RQNJFJZBELLCHV-GOEBONIOSA-N 462.400 2.403 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C[C@@]12CCOC2 2362505349 NAATZFQPNKNRBN-RCDICMHDSA-N 479.408 2.341 30 10 JEEE C=C(CS(=O)(=O)N1CCN(CCNC(=O)OC(C)(C)C)CC1(C)C)B1OC(C)(C)C(C)(C)O1 2363150167 YDRDVXWJVYPIOW-UHFFFAOYSA-N 487.472 2.425 30 10 JEEE COC(=O)CCCn1c(=O)/c(=C\c2ccccc2)s/c1=C(\C#N)C(=O)c1ccccc1F 12980235 MKGQFQSVBFBBEK-NORSARRLSA-N 450.491 2.388 30 10 JEEE C[C@@H](C(=O)NO)N(Cc1ccccc1)S(=O)(=O)c1ccc(I)cc1 13530871 GOITWCMYTFYDIU-LBPRGKRZSA-N 460.293 2.376 30 10 JEEE Cc1cc(C)c(S(=O)(=O)N2CCOC23CCN(C(=O)C(=O)Nc2ccccc2C#N)CC3)c(C)c1 16994191 USPOYJFRUSCRGL-UHFFFAOYSA-N 496.589 2.462 30 10 JEEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCC[C@H]2C(=O)N2c3ccccc3C[C@H]2C)CC1 514363905 HRTNOHKULLIZJY-CEMLEFRQSA-N 452.599 2.217 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)C[S@](=O)CC(=O)Nc2ccc([N+](=O)[O-])cc2)nc1C 586274370 LPXMEQNSQZJJOA-WJOKGBTCSA-N 466.497 2.028 30 10 JEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc3cccnc23)c(=O)n1-c1ccccc1C#N 917798878 GQAFJBHVXLOPCN-UHFFFAOYSA-N 463.522 2.124 30 10 JEEE Cc1nn(CCO)c(C)c1C=NNc1nnc(SCc2cccc(Br)c2)n1N 1084082991 MIFXCMYYAIJSNK-UHFFFAOYSA-N 465.381 2.298 30 10 JEEE COCCn1cc(C=NNc2nc(SCCC(=O)Nc3ccccc3[N+](=O)[O-])n[nH]2)cn1 1084210029 KEVKQOAMMRIJCH-UHFFFAOYSA-N 459.492 2.123 30 10 JEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(CN2C(=O)CNC2=O)cc1 1152221954 UYNJRYBHCHTTSW-INIZCTEOSA-N 450.923 2.391 30 10 JEEE N#Cc1cc(Cl)ccc1S(=O)(=O)N1CCN([C@H](C(N)=O)c2ccc(Cl)cc2)CC1 1189079543 FJHMHEWENGEHMZ-SFHVURJKSA-N 453.351 2.398 30 10 JEEE N#Cc1cccc(CN2CCC(NC(=O)NCCS(=O)(=O)CCc3ccccc3)CC2)c1 1235671595 FAGWBPNJIGWZAY-UHFFFAOYSA-N 454.596 2.479 30 10 JEEE C=CCN1C(=O)C(=O)N(CC(=O)N2CC(C)(C)[C@H]2C2CCN(Cc3ccccc3)CC2)C1=O 1273352171 KJMVJSCFUSNZCN-OAQYLSRUSA-N 452.555 2.112 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1286273626 FRDXCLOOSHKNAA-CLLDFNAGSA-N 467.614 2.392 30 10 JEEE C#CCN(c1nnc(-c2ccccc2F)n1Cc1nccn1C(F)F)[C@H]1CCS(=O)(=O)C1 1286387870 VQDILSNNOPTHRV-AWEZNQCLSA-N 464.473 2.351 30 10 JEEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1C[C@@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1286395189 LMEQNGXBEJTRHX-UXHICEINSA-N 459.616 2.051 30 10 JEEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(CN2CCCCC2)cc1 1286451538 KXENGJZDEGVNHO-IBGZPJMESA-N 458.632 2.382 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCN2CCc3sccc3C2)CC1 1286469780 LDWADKYXSWBNJI-UHFFFAOYSA-N 469.659 2.072 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2Cc2nnc(C)s2)CC1 1286471950 BXRSWAGCHGTHQL-UHFFFAOYSA-N 461.393 2.010 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@H]2CC[C@H](C)C2)CC1 1286473497 NJMSRDPPKWKMOR-PMACEKPBSA-N 470.643 2.387 30 10 JEEE C#CCSCCn1c(Cc2ccccc2F)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1286506103 QBWVOWFYXPJVJT-UHFFFAOYSA-N 471.602 2.450 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(N(C)C(=O)OCC)CC1 1286553744 FYKIHYXZNRBILX-NSHGMRRFSA-N 495.646 2.219 30 10 JEEE C=C(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 1286592310 YJGKEUXEWVUTPN-HNNXBMFYSA-N 454.622 2.074 30 10 JEEE C=CCN(C)c1nnc(COc2ccc(Br)cc2)n1CC(=O)N1CCOCC1 1286730402 GFWDBTZTCFPCCU-UHFFFAOYSA-N 450.337 2.101 30 10 JEEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@](C)(CC)C1 1286824484 YYNBYDMOWJCENX-FQEVSTJZSA-N 451.618 2.497 30 10 JEEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCC(CNC(=O)c4cnn(C)c4)CC3)n[nH]2)c1C 1292452672 PPZMCWATOKQMPW-UHFFFAOYSA-N 450.547 2.092 30 10 JEEE CCn1cc(Cn2c(C(=O)NC(C)C)nnc2N2CCCN(Cc3ccc(C#N)cc3)CC2)cn1 1295919729 IBAJBPIPSYHSSY-UHFFFAOYSA-N 475.601 2.265 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](OC)C2CC2)c1 1300332127 XUJISVNLZSXBNR-HXUWFJFHSA-N 473.537 2.407 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1300506328 QPSGWDGFGVDCTB-JBACZVJFSA-N 476.574 2.011 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCn1c(C)nc2ccccc21 1300671760 OQRKCRVQIAXGNP-IBGZPJMESA-N 470.599 2.015 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@]2(C)CCCS2)CC1 1300689504 WPNVVJSORWPGNQ-QHCPKHFHSA-N 488.683 2.236 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCn2cc(C)cn2)CC1 1300715647 BAZIRHBMZWQRBH-UHFFFAOYSA-N 477.569 2.133 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCC(S(C)(=O)=O)CC1 1300872105 FCGNUNPAIBOIRC-VQIMIIECSA-N 467.636 2.191 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N1CCC(C(=O)NCCCOC)CC1 1300895426 RUHXMUQXUJXYNF-PWRODBHTSA-N 461.607 2.480 30 10 JEEE C=CCN(C)c1nnc(CN2CCCC2=O)n1C[C@@H]1C[C@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1301305483 ZMLZGZFXDQQBFH-BZSNNMDCSA-N 460.579 2.047 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1301485157 SBJLMDODXPVOAG-INIZCTEOSA-N 463.629 2.201 30 10 JEEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCO[C@H](c2nccs2)C1 1301508667 PZAFXZVOLRFIJE-IBGZPJMESA-N 468.583 2.409 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@]2(OC)CCOC2)C1 1301535946 PYYJIXKTJFBOMU-AUSIDOKSSA-N 475.977 2.448 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H]2CCCO2)nnc1N1CCC(NS(C)(=O)=O)CC1 1301536552 XJONBUSWLDFRMG-HXUWFJFHSA-N 461.588 2.261 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](c2cccc(OC)c2)N(C)C)C1 1301555192 ABOPOJQNWOOJRH-CEMLEFRQSA-N 489.642 2.273 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCCN(c3ccccc3C#N)CC2)n1C[C@]1(C)CCCO1 1303851411 DJRAELWQXJGGGN-MBSDFSHPSA-N 487.630 2.046 30 10 JEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)NC[C@@H]1COC2(CCOCC2)O1 1357851362 BBBIUGATQSWISM-CQSZACIVSA-N 455.305 2.137 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CCC2CCOCC2)c1 1358902442 OODLBNLILLIGCC-FQEVSTJZSA-N 450.543 2.102 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1CCCc1ccnc(C(C)(C)C)n1)[C@@H]1CCS(=O)(=O)C1 1358961459 ZNZGOECEGYCDJE-LJQANCHMSA-N 494.625 2.082 30 10 JEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](O)(c2ccccc2F)C1 1359227991 QWDLFQDHYIAGLE-HTAPYJJXSA-N 464.563 2.010 30 10 JEEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)Cc1cnc(C(C)C)nc1 1359298848 NNNSJEFPDOCMFD-UHFFFAOYSA-N 473.541 2.446 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N(C)C[C@H]1CN(CC)c2ccccc2O1 1359299880 OZXOTFBACOKQAA-MOPGFXCFSA-N 454.575 2.198 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1359305192 VVTBCMDCZDCQTH-MRXNPFEDSA-N 482.507 2.241 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCC(=O)N[C@@H](C)CC)C1 1359318338 BTGCUNYVAVVRFC-ROUUACIJSA-N 479.585 2.278 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccccc3OC)n2C[C@@H]2CCCS(=O)(=O)C2)C1 1359325624 JFGBYPOWORGSSX-RBUKOAKNSA-N 476.599 2.472 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)C2CC2)C1 1359563261 HWOBHDIHKNPYBR-LJQANCHMSA-N 465.558 2.446 30 10 JEEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1Cc1cccnc1OCC(F)F 1492911175 DBSAZHFGJGKLEH-AWEZNQCLSA-N 455.473 2.051 30 10 JEEE CC[C@@H](c1ccccc1)c1nnc(N2CC[C@](F)(C#N)C2)n1CCN1CCN(C(C)=O)CC1 1496405487 ABOBLIGPAZVOQX-URXFXBBRSA-N 453.566 2.426 30 10 JEEE CCS(=O)(=O)C[C@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1cc(C)on1 1503244616 GCNAWJGEQSPLTB-HNNXBMFYSA-N 458.544 2.333 30 10 JEEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(C(N)=O)CCCC2)C[C@@H](C)O1 1504734202 GAPGTDNITGITQW-XLIONFOSSA-N 468.558 2.015 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H](C)N(C)C)c1 1507552936 WCOASHWUNZJHPV-LZNRXBQRSA-N 454.575 2.008 30 10 JEEE C#CCN(c1nnc(-c2cn(C)c3ccccc23)n1C[C@@H](C)COC)[C@@H]1CCS(=O)(=O)C1 1507632135 XKDVLOZCLQFXSD-QZTJIDSGSA-N 455.584 2.346 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCSCC=C)[C@H]1CCS(=O)(=O)C1 1507633689 GIZQOIWQLQHMBM-KRWDZBQOSA-N 451.643 2.180 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCO3)n2C[C@@H]2CSCCS2)n1 1507717628 XCQQUUZBYCSIBX-RTBURBONSA-N 462.645 2.461 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@H](C)N2CCC[C@H](C)C2)CC1 1507740642 WDPJWOLNQHDOQH-SFTDATJTSA-N 463.630 2.350 30 10 JEEE C#CCSCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1507750039 GTMJGOCAAUOJFD-KRWDZBQOSA-N 458.613 2.367 30 10 JEEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1507839310 BWNSKFKIYQDAEY-UHFFFAOYSA-N 450.609 2.127 30 10 JEEE C=CCn1c(Cc2ccccc2F)nnc1N1C[C@@H]2[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1508062314 AJLWVTKHQVALMV-NZSAHSFTSA-N 491.589 2.321 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(CC)CCS(C)(=O)=O 1508075584 YMNUGUNKNJWFLJ-HNNXBMFYSA-N 465.645 2.305 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCCN(CC(F)(F)F)CC1 1508143081 WTPQLJUZHIFHMX-INIZCTEOSA-N 465.542 2.195 30 10 JEEE C/C(=C/c1ccccc1)CN(C)c1nnc(CN2CCCC2=O)n1CCN/C(O)=C1\N=CC=CC1=O 1508169734 MCVKBJWFQKUQAD-ILDVKYMKSA-N 489.580 2.467 30 10 JEEE COCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1518959876 FJOKYEUUYPBNHA-DEOSSOPVSA-N 469.590 2.234 30 10 JEEE CCn1c(NC(=O)C2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)nc2cc(C#N)ccc21 1520826335 HAOFJKNETVHHJR-UHFFFAOYSA-N 455.544 2.009 30 10 JEEE CC(=O)c1cc(C#N)ccc1NC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O 1521710915 CLJPRSSRCJBPON-MRXNPFEDSA-N 453.476 2.337 30 10 JEEE CC(=O)N[C@H](C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C)c1cccc(Br)c1 1535349536 GJAKAINMMQPTTN-UGSOOPFHSA-N 457.332 2.025 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCNc1ccc(C(F)(F)F)cn1 1538970297 BUXLADRPUWNDKP-KBPBESRZSA-N 473.525 2.262 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC2(CCC(F)(F)CC2)C1 1539124785 HVUIKAHOZQKVKI-KRWDZBQOSA-N 471.574 2.430 30 10 JEEE C#CCN(C)c1nnc(COc2ccc(Br)cc2)n1CC1(S(C)(=O)=O)CC1 1539193488 DFJGYYYQLQNFBW-UHFFFAOYSA-N 453.362 2.266 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@@H](OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1539218791 DEMHFYULRXAAQW-OXQOHEQNSA-N 464.538 2.199 30 10 JEEE C#CCN(c1nnc(CC2CCCC2)n1CCC(=O)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1539224068 CIQRUDUOOSAEEV-HXUWFJFHSA-N 461.632 2.040 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1CC1(N(C)C)CCCC1)[C@H]1CCS(=O)(=O)C1 1539224194 CZBWBORVKNXSGB-IBGZPJMESA-N 476.672 2.135 30 10 JEEE C#CCN(CCOC)c1nnc(Cc2ccsc2)n1Cc1ccc(N2CCOCC2)nc1 1539421720 WGRPXZQYSBWUGP-UHFFFAOYSA-N 452.584 2.296 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(Br)c3)n2CC[C@@H]2COCCO2)CC1 1539434590 OLVMQLYLYXOBSS-LJQANCHMSA-N 460.376 2.268 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(-n2cccn2)cc1 1539669753 TZOSRRHNBWXKKD-QFIPXVFZSA-N 499.641 2.442 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)Oc1ccc(Cl)cc1 1540072736 MVLXKAWVWGQKBA-YJBOKZPZSA-N 469.995 2.354 30 10 JEEE CC(=O)NC[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2(N(C)C)CCOCC2)C1 1541053719 GDLUCWIMKQAONB-OAQYLSRUSA-N 465.602 2.280 30 10 JEEE CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2cc(Br)ccc2OC)CCOC1 1547918460 FNHRUAMIWNNZEX-UWJYYQICSA-N 492.374 2.478 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCN1CCC[C@H]1C(=O)N(C)C 1587604758 YPOGCEOZCYJLLM-ICSRJNTNSA-N 466.586 2.117 30 10 JEEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1Cc1c(CC)noc1C)[C@H]1CCS(=O)(=O)C1 1588069242 JYCOZNDUZAXJMD-SFHVURJKSA-N 499.593 2.400 30 10 JEEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1C[C@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1588090650 ZZBJAYIIQHNYDW-JJEXOMBSSA-N 499.612 2.027 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cscc1C(F)(F)F 1588181433 UEQSSJXKAZUEGX-CYBMUJFWSA-N 459.519 2.480 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CC(F)(F)CO1 1588398512 GHUPNJLTGCAHFK-CVEARBPZSA-N 455.506 2.470 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(OC)c(F)c2)CC1 1588961626 GQVTZLXJRKGOCR-UHFFFAOYSA-N 479.560 2.302 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1C[C@@H](C)C[C@H](C)C1 1589664276 WZTXFSANKYNHQQ-ACRUOGEOSA-N 482.695 2.381 30 10 JEEE C=C(C)COCCn1c(-c2ccccc2C)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1593721843 FOZOEBIDFFDEIZ-OAQYLSRUSA-N 489.642 2.477 30 10 JEEE C=C(Cl)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1593884723 JTCRGYOUSUVYRC-JKSUJKDBSA-N 490.026 2.352 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H]1CCCCO1 1594497789 MGTFMWXOBJBEPN-ZWKOTPCHSA-N 455.625 2.219 30 10 JEEE C=CCN(c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(O)CCOCC1)C1CC1 1595058376 KCZCTIFBTLVHOL-SFHVURJKSA-N 463.579 2.283 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(N(C)C)CCC[C@H](C)C1)C1CC1 1595058497 NUAXUNKGQWUHSB-GREBRCKQSA-N 480.679 2.276 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC[C@@H](C(=O)OC)C1 1595516489 DNNUUMPPQYBBCS-QGZVFWFLSA-N 457.531 2.044 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)c2ccc(C)cc2)CC1 1595797136 FAXYQUKUDDLEQR-OAQYLSRUSA-N 487.626 2.391 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](c2ccccc2)C1 1595824161 XORQXXFMOUIEIP-NRFANRHFSA-N 470.599 2.318 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1595831768 VQEXIWKNZZAQDR-RCCFBDPRSA-N 483.635 2.470 30 10 JEEE CC(C)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCc2cnn(C)n2)[C@@H](C)C1=O 1607484999 DPVVWLXWGSOEFA-SFHVURJKSA-N 461.574 2.271 30 10 JEEE C#C[C@]1(O)CC[C@@H]2[C@H]3CCC4=C/C(=N/OCC(=O)N[C@H](CO)C(=O)O)CC[C@]4(C)[C@@H]3CC[C@]21C 1614469834 LFHYHJHRXQUQHI-VSCLGRNFSA-N 472.582 2.248 30 10 JEEE CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@H]2CCO[C@@H](C)C2)CC1 1615938447 GWWDPSNSOMLSPP-PMACEKPBSA-N 465.602 2.280 30 10 JEEE N#Cc1cccc(NC(=O)N[C@@H]2[C@H]3CO[C@@H](O3)[C@H](N3CCC(Cc4ccccc4)CC3)[C@@H]2O)c1 1616151421 BXTVZBSJMZAZID-JYSSUKAJSA-N 462.550 2.488 30 10 JEEE CCO[C@@]1(c2nnc(N3CCC(Oc4cccc(C#N)c4)CC3)n2CC(=O)NC(C)C)CCOC1 1616212958 BVAXIOSWAXYTNQ-VWLOTQADSA-N 482.585 2.374 30 10 JEEE C=CC[C@@H](CO)CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1 1624243371 NLROTPCYWWRCRD-CHWSQXEVSA-N 451.408 2.212 30 10 JEEE C=CC[C@H](CO)CNC(=O)c1cccc(NC(=O)C[C@H]2SC(N3CCCCC3)=NC2=O)c1 1631912691 KEZNIXZZGVHLLI-QFBILLFUSA-N 458.584 2.414 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1CC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1689982798 USWVRKMRIDDNOZ-MRXNPFEDSA-N 466.510 2.088 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CC(=O)Nc1c(C)cccc1C)[C@@H]1CCS(=O)(=O)C1 1689992103 HOPOIIZYOQVMNH-OAQYLSRUSA-N 492.605 2.146 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1689996882 QDTPVFHPZFHGKD-TZIWHRDSSA-N 458.584 2.361 30 10 JEEE C=CCN(CC=C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1690583668 SKDIABYRYCRUSD-UHFFFAOYSA-N 464.618 2.278 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCN(C(C)=O)CC1 1690660707 NKIIXCZCJKRMFJ-UHFFFAOYSA-N 461.570 2.323 30 10 JEEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1690734236 ZFBDJQHUCWHILD-UHFFFAOYSA-N 458.588 2.004 30 10 JEEE CC[C@@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CC(C)(C)N1CCOCC1 1694124972 BYMSAYFYTDRAPD-MOPGFXCFSA-N 467.622 2.279 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1[C@@H]1C[C@H]1CF)[C@H]1CCS(=O)(=O)C1 1705560890 LULMSIKOFBBBCJ-CORIIIEPSA-N 456.341 2.193 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)o2)n1Cc1cccc(OCCN(C)C)c1)[C@@H]1CCS(=O)(=O)C1 1705563028 PEGBNWCWTPZROP-OAQYLSRUSA-N 497.621 2.462 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1CC1CCN(C(C)=O)CC1 1705625214 CBIDYBGROGEYNU-OAQYLSRUSA-N 452.534 2.267 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3c(C)cc(Cl)cc3C)n2Cc2nnn(C)n2)CC1 1705632815 CHZKEWAAVUPLNR-KRWDZBQOSA-N 469.981 2.015 30 10 JEEE C#CCSCCn1c(COc2ccccc2F)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1705665993 KFRAKWMMDFFFGG-GOSISDBHSA-N 493.630 2.367 30 10 JEEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N(CCO)Cc1ccccc1OC 1705689892 COARBBDVAZLZBA-UHFFFAOYSA-N 464.364 2.317 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1705722318 GCBCCMWGRJZAAO-KDURUIRLSA-N 476.647 2.317 30 10 JEEE C=C(Cl)Cn1c(COc2ccccc2F)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1705759264 MKPVFBNNAGUQCM-UHFFFAOYSA-N 476.940 2.020 30 10 JEEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1705800403 WNPPCJRAWDKGDX-UHFFFAOYSA-N 461.592 2.142 30 10 JEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(Cc2cccc(C)c2)CC1 1705819741 STYMYGCBICHYMQ-QFIPXVFZSA-N 488.658 2.208 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@H]1c1ccco1 1705896438 MVXCZOLGRPCOBL-IBGZPJMESA-N 484.582 2.432 30 10 JEEE CC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCCS2(=O)=O)CCN1CCOC 1709328089 HRDWQMLTVYLOAT-VXKWHMMOSA-N 486.642 2.331 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1Cc1c(F)cccc1Cl)[C@@H]1CCS(=O)(=O)C1 1722360472 IBKLVAXYNDAHTP-CQSZACIVSA-N 460.922 2.203 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1722362479 BECHXRMDWLWMKX-XYJFISCASA-N 450.536 2.219 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCCN1CC)[C@@H]1CCS(=O)(=O)C1 1722371887 MNIGMMCUEVGSQY-FGZHOGPDSA-N 496.637 2.230 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1SCCc2ccccc21 1722389267 GFNYOQBITVFIIE-XLIONFOSSA-N 457.625 2.382 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(F)cc1C(F)(F)F 1722430029 ZFOZCKVPUXYAAF-HNNXBMFYSA-N 474.480 2.472 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@H]1NC(=O)CC1(C)C 1722430208 AVQKEIINYODGOW-LJQANCHMSA-N 461.570 2.439 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@](O)(c2ccccc2)C(F)(F)F)CC1 1722432501 XZZRZANDUUQTOF-AVRDEDQJSA-N 481.519 2.207 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCc2cn[nH]c2)CC1 1722450816 RPMCOOCDTXJOIP-UHFFFAOYSA-N 467.961 2.442 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N(C)C[C@H]2CCN(C(C)=O)C2)nnc1[C@@]1(OCC)CCOC1 1722502822 UKWJUOBJMSSXDJ-IUBSTNSRSA-N 461.607 2.216 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1722508949 VCQZJJUILNJEJY-VXNCWWDNSA-N 460.579 2.314 30 10 JEEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1722534152 LAKAZCAJYKXIDG-GOSISDBHSA-N 452.563 2.431 30 10 JEEE C=C(Cl)Cn1c(Cc2ccsc2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1722579464 FEGLVLGKXYSJBM-QGZVFWFLSA-N 472.036 2.314 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1722699031 APUPYVQJRNWTOG-UHFFFAOYSA-N 497.003 2.258 30 10 JEEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1722701031 CWPIDLKKKFKTDC-HXUWFJFHSA-N 452.603 2.497 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CCN(CC(F)(F)F)CC1 1722730018 FSZHVVRJNYSZQT-UHFFFAOYSA-N 487.548 2.451 30 10 JEEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](C)CC1 1722730166 KKKOKVHHAXOXGH-MRXNPFEDSA-N 451.618 2.497 30 10 JEEE CCN1CCN([C@H](C)Cn2c(-c3ccc4c(c3)OCCO4)nnc2N(C)C[C@H](C)C#N)CC1 1728602965 HGOBANLYBXZSFV-RTBURBONSA-N 453.591 2.338 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2Cc2nccc(C(F)F)n2)c1 1740561883 GLNILQVQXGGRIV-UHFFFAOYSA-N 494.506 2.346 30 10 JEEE C#CCN(C)c1nnc(COc2ccc(C#N)cc2)n1CCNS(=O)(=O)c1ccc(C)s1 1740613876 WWMAUNCAIVPRBL-UHFFFAOYSA-N 470.580 2.147 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C 1740671361 FRZJWCQRRWUEJP-IRXDYDNUSA-N 451.593 2.039 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@H](C2CC2)N(C)C)CC1 1740695009 ZVCTURWFTHSRFP-YADHBBJMSA-N 485.677 2.488 30 10 JEEE C=CC[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCN(S(C)(=O)=O)CC1)c1ccccc1 1740853331 BBUJUPQLBXCVAK-LJQANCHMSA-N 455.588 2.120 30 10 JEEE C=CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1740949191 OISBMUXFJIHJDD-UHFFFAOYSA-N 463.586 2.486 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(C(=O)N2CCCC2)CC1 1740952450 FCXKJQUYHHKXSP-GOSISDBHSA-N 485.564 2.197 30 10 JEEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@@H](CN(CC)CC)C1 1740958455 BBAJGGUWIYAJSV-KRWDZBQOSA-N 464.574 2.064 30 10 JEEE C[C@@H]1CCC[C@@]1(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1743031713 BXYFPQVORSDNTN-HFJQGTKSSA-N 472.615 2.133 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@H]1CCC[C@H](O)C1 1744086494 GTODAYZBVFXHIK-CTNGQTDRSA-N 480.617 2.341 30 10 JEEE CN(c1nnc(-c2ccc(C#N)cc2)n1CC(=O)NCC(F)(F)F)[C@H]1CCCN(c2cccnn2)C1 1747617185 BNMDQBMPTHLCGB-SFHVURJKSA-N 499.501 2.390 30 10 JEEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C)c2nc(C(C)C)no2)CC1 1748710338 MTAMTHPUKJXSBC-ROUUACIJSA-N 454.579 2.422 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)ccc2Br)n1CC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1748810035 ZHKNNTDVCVQIKW-AWEZNQCLSA-N 497.415 2.114 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1Cc1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1748810611 YKBJNYUBWVFLDL-IBGZPJMESA-N 450.524 2.097 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1c[nH]c2cc(C)ccc12 1748863978 MITKKMJOPHENOV-GOSISDBHSA-N 452.584 2.384 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Cl)n2CC2(O)CCOCC2)CC1 1749010276 KGIVTAIACIVOAT-UHFFFAOYSA-N 457.962 2.106 30 10 JEEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1749217059 YRGBHCLOOGFLBK-PMACEKPBSA-N 473.599 2.189 30 10 JEEE C=C(C)COCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1749219444 HUICIFTYLUHBIF-UHFFFAOYSA-N 472.553 2.230 30 10 JEEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1749352320 LFIYEBLXLZHNMN-FPOVZHCZSA-N 471.650 2.105 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CCC2)C1 1749718810 IYDGQXKCUPLGCM-HXUWFJFHSA-N 471.583 2.477 30 10 JEEE C#C[C@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CCOc1ccc(S(C)(=O)=O)cc1 1760118300 BLUJOXPGBFZIJU-SFHVURJKSA-N 478.578 2.457 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CC1(CCC)CC1)[C@@H]1CCS(=O)(=O)C1 1760182820 MOPYENOXDBIHKZ-QGZVFWFLSA-N 456.572 2.132 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(Br)s2)n1CCS(=O)(=O)N(C)C 1760213967 XNUNRZKGIUFXDG-UHFFFAOYSA-N 470.418 2.123 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCN1CCC[C@H](C)C1 1760226668 IKSMQYRYQAYZIJ-IBGZPJMESA-N 458.632 2.387 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1Cc1nnc(C(C)(C)C)s1 1760243199 XQJNAQONDPAWPG-UHFFFAOYSA-N 454.560 2.209 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2CCc2ccc(F)c(F)c2F)CC1 1760257065 NSIMGINNKBPIGA-MRXNPFEDSA-N 451.493 2.417 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2Cc2cccc(OC)c2OC)CC1 1760268085 LEKGXKXUAUQQJQ-UHFFFAOYSA-N 462.554 2.315 30 10 JEEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N(CCS(C)(=O)=O)C1CC1 1760274792 TWMRLDACXPJCCU-UHFFFAOYSA-N 472.434 2.416 30 10 JEEE C#CCSCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(C)C(=O)[C@H]1C 1760281232 PGIBOZJAZMIWQQ-MSOLQXFVSA-N 476.647 2.426 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1nnc(C)s1 1760288793 AJMFFMIUNUPJPN-OAQYLSRUSA-N 471.612 2.396 30 10 JEEE C=C(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(Cc2cnn(C)c2)CC1)c1ccccc1 1760362188 CTSAAGAHZLFJNB-HXUWFJFHSA-N 498.657 2.048 30 10 JEEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(c2ccnn2C)CC1 1760428258 SAYUVXPQCKDPGX-HXUWFJFHSA-N 477.635 2.085 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccccc3F)n2Cc2ccc(C(N)=O)nc2)C1 1760547573 NJNLBXSMRYENCR-QGZVFWFLSA-N 452.490 2.320 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1760554345 AORLSGOKTSLYEB-FQEVSTJZSA-N 491.017 2.435 30 10 JEEE CCC[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1763751818 DYSANBQGCFKEIR-NTKDMRAZSA-N 467.574 2.320 30 10 JEEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](OC)[C@H](C)CC)C1 1765671451 FDYWOQXLUINSCO-NSISKUIASA-N 460.604 2.396 30 10 JEEE COCCN(CCC#N)c1nnc(-c2cccc(C)n2)n1C[C@@]1(N2CCOCC2)CCSC1 1769843370 HUPLSIQNFZMDQM-QHCPKHFHSA-N 471.631 2.223 30 10 JEEE CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1ccc(O)c([N+](=O)[O-])c1 1862632960 CANGGRBYASGZMI-IBGZPJMESA-N 455.423 2.169 30 10 JEEE N#Cc1nnn(-c2ccc(F)cc2)c1NC(=O)CCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1870155683 ZSFCKAZXXJUCDQ-UHFFFAOYSA-N 463.385 2.201 30 10 JEEE C=CCn1c(C(=O)N2CCC(C(N)=O)CC2)cc2c(N3CCN(c4ccc(F)cc4)CC3)ncnc21 1873561783 YKTDCSVNRPHYEV-UHFFFAOYSA-N 491.571 2.421 30 10 JEEE N#Cc1ncccc1OC1CN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Cl)s3)C2)C1 1891923235 OZXDTFNGCSNWOX-ZDUSSCGKSA-N 466.972 2.359 30 10 JEEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)N2CC[C@](NC(=O)OC(C)(C)C)(C(=O)O)C2)C1 2062874968 WJTVTNQIEQCMCJ-JOCHJYFZSA-N 453.536 2.428 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1O 2063352483 DIJOBNPFUFQMGN-ZACQAIPSSA-N 454.568 2.450 30 10 JEEE CC1(C)OB(c2cccc(CNS(=O)(=O)N3CC(OCc4ccccc4)C3)c2)OC1(C)C 2105648610 YWLIDAZLFPFWRZ-UHFFFAOYSA-N 458.389 2.221 30 10 JEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H](CO)NC(=O)OC(C)(C)C)c1C 2255635239 FZPYOZULUSLFPV-CQSZACIVSA-N 454.398 2.280 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H]1NS(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2255751826 DOUSQQALGFXFTM-WMLDXEAASA-N 452.382 2.177 30 10 JEEE CN(C[C@H](O)CN(C)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)OC(C)(C)C 2255877097 HNESWKOKCAQITA-CQSZACIVSA-N 454.398 2.347 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@](CO)(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C1 2256625612 YYASSZVWUGVNKQ-HXUWFJFHSA-N 453.370 2.000 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1COC[C@]1(C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2256629471 VHEFUEFHGBBWRZ-YUNKPMOVSA-N 453.370 2.311 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@](C)(CNC(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)C1 2266999887 PYWWHHBUOHVCQC-NRFANRHFSA-N 467.397 2.198 30 10 JEEE CC(C)C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2267180582 GJOYJOFIWQGZBS-HNNXBMFYSA-N 450.389 2.389 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2[C@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2267279129 HRMFVRAUCBFBIC-IEAZIUSSSA-N 464.393 2.458 30 10 JEEE COCC[C@@H](CNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2267366489 HFSOXEMLTVVESM-AWEZNQCLSA-N 490.453 2.255 30 10 JEEE COCC1(NC(=O)c2cc(C)c(B3OC(C)(C)C(C)(C)O3)o2)CN(C(=O)OC(C)(C)C)C1 2267517812 YQUXVLFJMNJEBJ-UHFFFAOYSA-N 450.341 2.253 30 10 JEEE COCCN(CCNC(=O)c1c(C)nsc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2267525203 BBANRBXLKWCKIS-UHFFFAOYSA-N 469.413 2.364 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2CCO[C@@]2(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C1 2268643646 JFPGIYZWENKDPM-ASSNKEHSSA-N 465.381 2.407 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2OCC[C@@]2(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C1 2278894328 VJNNQUWPINEWNS-LRTDBIEQSA-N 465.381 2.407 30 10 JEEE COC(=O)C1(NC(=O)OC(C)(C)C)CC(Oc2nccc(B3OC(C)(C)C(C)(C)O3)c2F)C1 2280715327 JPPGWUPFUSOELG-UHFFFAOYSA-N 466.315 2.498 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2ccc(F)cc2B2OC(C)(C)C(C)(C)O2)[C@@H](O)C1 2281786735 HQXTZESUBFMMKA-MSOLQXFVSA-N 464.343 2.225 30 10 JEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1C[C@H](O)CC12CN(C(=O)OC(C)(C)C)C2 2281796760 NYDXWUHGAUALNV-OAHLLOKOSA-N 462.352 2.084 30 10 JEEE Cn1ncc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)[C@H]3CCC[C@@H]23)c1B1OC(C)(C)C(C)(C)O1 2281816677 ZZPPULWFYMQPPW-UAGQMJEPSA-N 460.384 2.237 30 10 JEEE Cc1cnc(C(=O)N2CC[C@@H](C)[C@H](NC(=O)C(F)(F)F)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2281949179 GMLNJAZGJMZUPC-UKRRQHHQSA-N 455.286 2.218 30 10 JEEE Cn1nc(C(=O)N2C[C@H](NC(=O)OC(C)(C)C)CC(C)(C)C2)cc1B1OC(C)(C)C(C)(C)O1 2281961495 NBCBVNYREDWCRO-OAHLLOKOSA-N 462.400 2.485 30 10 JEEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@@H]3COCCN3Cc3ccccc3)cc2)OC1(C)C 2282348426 LBKQVLGFIAIBAB-OAQYLSRUSA-N 472.416 2.165 30 10 JEEE Cn1cc(C(=O)N2CC[C@H]3CCN(C(=O)OC(C)(C)C)[C@H]3C2)nc1B1OC(C)(C)C(C)(C)O1 2282550552 AKSZXXPKCBDOFH-RDJZCZTQSA-N 460.384 2.191 30 10 JEEE Cn1nc(C(=O)N2C[C@H]3CN(Cc4ccccc4)C[C@]3(C)C2)cc1B1OC(C)(C)C(C)(C)O1 2282606717 SCVYAGXISMCWBY-KBMIEXCESA-N 450.392 2.313 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@](F)(CNC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2282625600 XIVQFBBIBRIKPH-XLOAEROZSA-N 464.347 2.149 30 10 JEEE CN1CCC(N(Cc2ccccc2)S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)nn2C)CC1 2282854723 VIJHRNIFWHNZTG-UHFFFAOYSA-N 474.436 2.004 30 10 JEEE CC1(C)OB(c2ccc(C(=O)NC[C@H]3CN(C(=O)OCc4ccccc4)CCO3)c(O)c2)OC1(C)C 2282878151 BRQKGUZVYUBBIL-FQEVSTJZSA-N 496.369 2.459 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H]1CCCN2C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2283061819 NEKWMTLMBHSHMG-JKSUJKDBSA-N 458.368 2.390 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](CNC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1(C)C 2283070335 WJVLUIBSELGEBI-LSDHHAIUSA-N 460.384 2.445 30 10 JEEE CC(C)(C)OC(=O)N[C@@]1(C(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)C[C@@H](O)C1(C)C 2284059460 HAHHXJDNNOFOFQ-IQMFZBJNSA-N 461.368 2.374 30 10 JEEE COC(=O)CSc1nnc([C@@H]2CC(=O)N(Cc3ccccc3)C2)n1N=Cc1cccnc1 2325921265 CAPSLFFTVCWLCH-GOSISDBHSA-N 450.524 2.337 30 10 JEEE CCCc1nnc(SCC(=O)OC)n1N=Cc1ccc(OCCN2CCOCC2)c(OC)c1 2331656569 UUDGWNMYIRHYHL-UHFFFAOYSA-N 477.587 2.098 30 10 JEEE CO[C@@H]1[C@H](OC)CN(C(=O)OC(C)(C)C)[C@H]1C(=O)N1C[C@@H]2C(B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2358196504 LHPFRGWAYBJNJN-KCEFYPGHSA-N 466.384 2.186 30 10 JEEE CO[C@@](C)(CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nc(C)n1C)COCc1ccccc1 2362437826 JCLSNCYQDCDRMS-DEOSSOPVSA-N 457.380 2.379 30 10 JEEE CC(C)(C)OC(=O)N1C[C@](C(=O)O)(N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C[C@@]12CCOC2 2373502838 CDSVTCQLRNTJGN-BUUDZMLXSA-N 470.570 2.320 30 10 JEEE CCOC(=O)C1CCN(c2nc3c(c(=O)[nH]2)[C@H](c2cccc(OCC)c2)[C@H](C#N)C(=O)N3)CC1 72444769 PRAYKETVHDEPPT-ZWKOTPCHSA-N 465.510 2.172 30 10 JEEE CCOc1cc([C@H]2/C(=C(/O)c3ccc([N+](=O)[O-])cc3)C(=O)C(=O)N2CCOCCO)ccc1O 103117260 QVFPPWKOGKXKEA-LCPUNJGISA-N 472.450 2.130 30 10 JEEE CCOCCCNC(=O)C(/C=C1/C(=O)ONN1c1ccc(OC)cc1)=NC(=O)c1ccccc1 585673710 QGSSXYGGXYTRLA-PVCGJRHLSA-N 466.494 2.186 30 10 JEEE C#CCC[C@H](O)CNC(=O)c1cc(I)cc(I)c1O 717900103 QLXJXPIBXVHYPW-VIFPVBQESA-N 485.059 2.106 30 10 JEEE C=CCSc1nnc(NC(=O)CSc2n[nH]c(NN=Cc3cnn(CC)c3)n2)s1 1084597066 ITUDMVJKPIMOTR-UHFFFAOYSA-N 450.579 2.328 30 10 JEEE C=CCN(CC=C)[C@@H](CNC(=O)N1CCO[C@@H](CN2C(=O)c3ccccc3C2=O)C1)C(C)C 1211221078 AJBDBNRGHIBPHI-KNQAVFIVSA-N 454.571 2.392 30 10 JEEE N#Cc1ccc(CN2CCCN(C(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)CC2)cc1 1227631275 FXOGUEOXABGGOJ-DEOSSOPVSA-N 456.550 2.448 30 10 JEEE N#Cc1ccc(CN2CC[C@H](NC(=O)N[C@H]3CCN(CCCc4ccccc4)C3=O)C2=O)cc1 1229852304 CCYKAQIPICGEMY-GOTSBHOMSA-N 459.550 2.192 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2ccccc2F)n1CCn1cc(C)cn1)[C@H]1CCS(=O)(=O)C1 1286386148 VMQFEHNVYHMDIC-MOPGFXCFSA-N 486.573 2.389 30 10 JEEE C#CCN(c1nnc(COc2ccccc2OC)n1C[C@]1(O)CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1286397939 VNSTVINHKPEFJZ-AXHZCLLHSA-N 488.610 2.044 30 10 JEEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(=O)N[C@@H](C)CC 1286448306 RTQGILBZUDNCBN-ZWKOTPCHSA-N 462.595 2.351 30 10 JEEE C#CCN(CCOC)c1nnc(Cn2ccc3ccccc32)n1C[C@@H]1CCCS(=O)(=O)C1 1286468535 AGIFKZOOMABJQC-IBGZPJMESA-N 455.584 2.192 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[C@](C)(C#N)C1 1286780319 STPDALJFOILPPV-HSZRJFAPSA-N 454.531 2.403 30 10 JEEE CC(=O)N1CCC[C@H](Cn2c(COc3cc(C)ccc3C)nnc2N2CCO[C@@H](C#N)C2)C1 1286858629 CHDZHGCATGQOJF-SFTDATJTSA-N 452.559 2.461 30 10 JEEE CCCC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC(F)(F)F)CC1 1293766213 GTUYZTRDGYTODT-UHFFFAOYSA-N 477.491 2.380 30 10 JEEE CCC[C@H](C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC2(CC1)CNC(=O)C2 1293849320 AUILXHKDFGXTCL-SFHVURJKSA-N 463.586 2.476 30 10 JEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2nc(C)c(C)s2)CC1 1300339982 UIAAGOWNHDBZEX-INIZCTEOSA-N 465.649 2.092 30 10 JEEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(CNS(C)(=O)=O)CC1 1300424883 OAVNHDYMBFNGFV-RTBURBONSA-N 451.637 2.376 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1occc1C)[C@H]1CCS(=O)(=O)C1 1300485007 VRAMOFXWPXYPJX-SFHVURJKSA-N 455.496 2.430 30 10 JEEE C#CCN(CC)c1nnc(-c2cc(F)ccc2Br)n1CCS(=O)(=O)N(C)C 1300604709 OZPVFEHWFIIPKI-UHFFFAOYSA-N 458.357 2.198 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(C(=O)N3CCCC3)n2C[C@H]2CC[C@H](F)C2)n1 1300676355 NISQIQMZLIOUGY-OALUTQOASA-N 457.554 2.135 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccccc2)CC1 1300716699 OTVXNRNTFSBEAN-VWLOTQADSA-N 451.571 2.333 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)c2cccc(OC)c2)CC1 1300723486 UPBLJFWSTHBOIE-NRFANRHFSA-N 478.597 2.181 30 10 JEEE C=C(Br)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)CCNS(C)(=O)=O 1300829522 GIUZCCDSBBILKB-UHFFFAOYSA-N 480.392 2.229 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1300872622 GIMYMIOQTVYQCP-UHOSZYNNSA-N 473.578 2.447 30 10 JEEE C=C(C)COCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC(NS(C)(=O)=O)CC1 1300974556 KABJSSBQWHPPDW-UHFFFAOYSA-N 485.614 2.446 30 10 JEEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(S(C)(=O)=O)CCCC2)C[C@H](C)O1 1301372674 GSDIPLBVIMPUHT-PXNSSMCTSA-N 473.599 2.414 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CC(F)(F)C1 1301411541 ZCDBPGHZPJHGKN-GOSISDBHSA-N 485.557 2.484 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 1301493246 WVJKBYYYKWAVNK-QGZVFWFLSA-N 484.557 2.470 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@](C)(C(N)=O)C1 1301534559 CBBULFQUKFGLRL-WXVUKLJWSA-N 455.559 2.317 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1301576908 IKOXRIMNITULPQ-SIKLNZKXSA-N 473.643 2.265 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CCN(C(=O)c2ccco2)CC1 1301593564 POJLTXUNNGJYQC-UHFFFAOYSA-N 499.593 2.322 30 10 JEEE CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C(C)C)N2CCCC2)CCO1 1301902336 HHZDSBYROXVBBO-PKTZIBPZSA-N 465.602 2.278 30 10 JEEE CC(C)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCCS2(=O)=O)[C@@H](C)C1=O 1303185459 DEEJFNMYXGVSSQ-GHTZIAJQSA-N 484.626 2.477 30 10 JEEE COc1ccc(OCc2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)cc1 1315533642 FSCVKNXQUKNQDL-JPYJTQIMSA-N 488.614 2.277 30 10 JEEE C[S@](=O)C1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)CCC1 1316364485 AZPRMTBKALCVFN-GTJUCTONSA-N 491.639 2.043 30 10 JEEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1358937336 REQZPWKLWYNYTR-PXNSSMCTSA-N 455.519 2.045 30 10 JEEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1CCc1ccn(C)n1)[C@@H]1CCS(=O)(=O)C1 1358965837 BVUMESUXMVAVIR-OAQYLSRUSA-N 482.610 2.077 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCn1cnc2ccccc21 1358994554 PVYFTHBYDBQXDC-LJQANCHMSA-N 450.568 2.083 30 10 JEEE C#CCN1CCN(c2nnc(CSc3ccccc3OC)n2CC2CCS(=O)(=O)CC2)CC1 1359039839 YEXLFORSDOCCEK-UHFFFAOYSA-N 489.667 2.159 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC2([S@](C)=O)CC2)CC1 1359040797 GSHCYMCHGDPSSB-WGLOFEKDSA-N 487.601 2.434 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCCn2ccnn2)CC1 1359041177 OZPQPHQULBIFSL-GOSISDBHSA-N 480.548 2.205 30 10 JEEE C#CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1359052872 SRVPUOBGIYFOTN-UHFFFAOYSA-N 477.594 2.141 30 10 JEEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cc(F)cc(F)c1 1359133577 VKQBZUCVGNVGQB-IBGZPJMESA-N 485.557 2.118 30 10 JEEE C=CCNC(=O)Cn1c(N2CC=C(c3ccc(O)cc3)CC2)nnc1[C@@]1(OCC)CCOC1 1359306194 YUAAXLACDLXKDE-XMMPIXPASA-N 453.543 2.232 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCCN(C(=O)C(C)C)CC1 1359306763 PTONQEIIHLRIEV-UYAOXDASSA-N 460.623 2.194 30 10 JEEE CC(=O)N(C)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNC(=O)C(C)C)CC1 1359351489 NJDQLWNXGPAIAB-UHFFFAOYSA-N 451.575 2.426 30 10 JEEE CC(=O)NC[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCC2(O)CCC2)C1 1359438633 FLSQEOYDMGSJHZ-HXUWFJFHSA-N 452.559 2.386 30 10 JEEE C#CCCCn1c(N2CCN(CC(=O)NC3CCC(C)CC3)CC2)nnc1[C@@]1(OCC)CCOC1 1507599721 SWHDNSJCBKFZNO-AJEPASEPSA-N 486.661 2.161 30 10 JEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1Cc1conc1COC)[C@H]1CCS(=O)(=O)C1 1507625159 HJXURHLSLQQGFF-SFHVURJKSA-N 475.958 2.408 30 10 JEEE C#CCN(c1nnc(-c2cc(-c3ccccc3)on2)n1CCCC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1507631275 NGNLIHBUCGDPJL-LJQANCHMSA-N 496.593 2.095 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccc(NC(C)=O)cc2)CC1 1507733702 IVGZHCUYUBHIGK-UHFFFAOYSA-N 493.612 2.169 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC(=O)NCC(F)(F)F)CC1 1507743104 ZHZUUCWNGPJCGH-UHFFFAOYSA-N 496.921 2.167 30 10 JEEE C=CC[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(N)=O)C1)c1ccccc1 1507928025 HJMDZTJBKBPEEA-AQNXPRMDSA-N 457.600 2.242 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCN(C)[C@H]1c1cccs1 1507980649 HPFARYUMLQRCBQ-CMKODMSKSA-N 494.687 2.378 30 10 JEEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](O)(c2ccc(F)cc2)C1 1508152155 IZRRPDXYYQQDBP-QRWLVFNGSA-N 469.608 2.045 30 10 JEEE C[C@@H](CN1CCCC1)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1510082383 HIVNWFBKAUODNX-PZJWPPBQSA-N 485.658 2.314 30 10 JEEE Cc1ccc(OCCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@](C)(C#N)C2)cc1 1511024383 AVZDTCASCIQVLZ-NZQKXSOJSA-N 488.614 2.129 30 10 JEEE COc1ccccc1OCc1nnc(N2CCC(CC#N)CC2)n1C[C@@H]1CCS(=O)(=O)C1 1518511180 HKVHBZBQETYEHA-SFHVURJKSA-N 459.572 2.430 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1-n1nc(C)cc1C 1539014631 MQFUENBXTAUVQL-PXNSSMCTSA-N 452.584 2.489 30 10 JEEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CCN2[C@H](C)CC[C@H]2C)CC1 1539088910 ABYNPANLADICQM-NHCUHLMSSA-N 464.618 2.334 30 10 JEEE C#CCN(c1nnc(C2CC2)n1Cc1ccc(OCC(F)(F)F)nc1)[C@@H]1CCS(=O)(=O)C1 1539216433 RQVTYKOBSWFLSB-MRXNPFEDSA-N 469.489 2.167 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CC(C)(C)c1ccccn1)[C@@H]1CCS(=O)(=O)C1 1539224872 JJQWVEVABWFWTF-HXUWFJFHSA-N 464.595 2.263 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1Cc1ncccc1N(C)C)[C@@H]1CCS(=O)(=O)C1 1539229947 JPFYKNGOZHUTSY-OAQYLSRUSA-N 478.622 2.199 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCC(=O)N[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1539231248 QDTVSLJNLBPGGG-CTAFRAEOSA-N 493.674 2.128 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCn1cc(Cl)cn1 1539350192 DJXZZPXLMIBBCB-UHFFFAOYSA-N 461.979 2.205 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(F)ccc2Br)n1C[C@]1(O)CCOC1 1539399517 NTIYEEZQTQQHHG-LJQANCHMSA-N 453.312 2.084 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](Oc2ccccc2)C1 1540877154 MFHANVBGIWIQEG-DWLFOUALSA-N 455.559 2.352 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCN(CC(F)(F)F)C2)C1 1540881526 LQTDYRNBTSBSOT-DLBZAZTESA-N 456.513 2.180 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2cccc(F)c2F)C1 1540883711 DAROFKYZXOXNAD-GOEBONIOSA-N 455.531 2.191 30 10 JEEE C=CCS(=O)(=O)CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCS(=O)CC1 1540908884 QFGGSIWJPZSMOD-UHFFFAOYSA-N 475.061 2.393 30 10 JEEE CC(C)CCOc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC(=O)NCC(F)F)cc1 1541525037 DPTCKXIHESSMTJ-SFHVURJKSA-N 462.501 2.480 30 10 JEEE Cc1ccc(C(=O)NCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@](C)(C#N)C2)cc1 1542248002 FTVZRRWEESZUSF-AUSIDOKSSA-N 470.599 2.049 30 10 JEEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(CC(C)(C)C)n1C[C@@H]1CCCN1CCCO 1544581904 BLALLTDOUAQZTJ-PMACEKPBSA-N 481.649 2.090 30 10 JEEE C=CCOC(=O)C1=C(C)N=c2sc(=Cc3ccco3)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OC)c1 1554157798 VEFYVNSTJWNQGO-QFIPXVFZSA-N 494.525 2.491 30 10 JEEE COC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1554572209 HCWMKBGHPKUERR-HXUWFJFHSA-N 451.575 2.238 30 10 JEEE C#CCN(C(=O)Nc1[nH]nnc1C(=O)NC1CC1)[C@H]1CCOc2ccc(Br)cc21 1563377658 FTKXVGRWGLHUOR-AWEZNQCLSA-N 459.304 2.450 30 10 JEEE C=CC[C@@H]1CCCN(C(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C/c2ccccc2)C1 1583961520 YULNUMKOMYIWGV-PZBSJLNOSA-N 454.614 2.195 30 10 JEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1587765527 HOJPQVJWTYZGIN-AVRDEDQJSA-N 467.636 2.056 30 10 JEEE C#CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1587847033 BPOHZHWJFWNOFD-SFHVURJKSA-N 476.585 2.044 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CCSC1(C)C)[C@H]1CCS(=O)(=O)C1 1588030404 ULRSJVXAOCPUJR-WMZOPIPTSA-N 481.688 2.355 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCCNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1588045743 PTHJNLZCIXIGRS-HXUWFJFHSA-N 498.609 2.358 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1CCN(C)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 1588045874 SCFGXDYXIOLKST-FQEVSTJZSA-N 456.616 2.231 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CCCn1cc(Br)cn1 1588171094 ULPAWPRUPACFMS-UHFFFAOYSA-N 458.364 2.026 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccnc(SCC)c2)CC1 1588929521 BZZWVBMHCVXIGI-IBGZPJMESA-N 454.600 2.303 30 10 JEEE C#CCSCCn1c(-c2ccccc2Cl)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1589042991 SERDAEMFXWUBQF-OAHLLOKOSA-N 470.990 2.497 30 10 JEEE C=C(Cn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1)c1ccccc1 1593800264 LCPWTDDCHVHPHK-HXUWFJFHSA-N 452.559 2.016 30 10 JEEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1594807047 CEZIRMWLBSFITG-IBGZPJMESA-N 453.522 2.159 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](c2ccccc2)C[C@H]1C 1595752597 BDYHIXUMWYFDMA-QUCCMNQESA-N 457.600 2.497 30 10 JEEE CC(C)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(S(C)(=O)=O)CCC2)CC1=O 1607493200 GBKCCFXRJSNSSS-UHFFFAOYSA-N 470.599 2.089 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CCNC(=O)OC(C)(C)C 1608584209 FXCDSKCDFCVIFU-UHFFFAOYSA-N 496.616 2.135 30 10 JEEE CCOC(=O)[C@@H]1S/C(=N/C(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)N(C)[C@@H]1C 1613895724 LRBUKJPGRCUIOB-FOILZIGYSA-N 480.033 2.436 30 10 JEEE CCCc1nc(C)c(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C(=O)COC)CC2)o1 1614434347 FJALFMZVDNEVBM-UHFFFAOYSA-N 493.568 2.321 30 10 JEEE C=C(C)Cn1c(SCC(=O)N2CCCC[C@H]2C(=O)N2CCOCC2)nnc1-c1ccco1 1626769055 MTOOODHGPMPCOT-KRWDZBQOSA-N 459.572 2.446 30 10 JEEE C=C(C)Cn1c(SCC(=O)N2CCCC[C@@H]2C(=O)N2CCOCC2)nnc1-c1ccco1 1626769057 MTOOODHGPMPCOT-QGZVFWFLSA-N 459.572 2.446 30 10 JEEE C=CCCCNC(=O)N1CCN(c2ccc(S(=O)(=O)N(CC)CC)cc2[N+](=O)[O-])CC1 1634948016 RYPYHVKMLFALBE-UHFFFAOYSA-N 453.565 2.423 30 10 JEEE C=C[C@@H]1CCCCN1CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC(C)C 1645464488 VOXDZEGMQXQNEP-GOSISDBHSA-N 451.589 2.474 30 10 JEEE C#CCN([C@@H]1CCOc2ccc(Br)cc21)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 1667305114 LFQLSOJIQLKSGA-CYBMUJFWSA-N 455.290 2.239 30 10 JEEE C#CCN(CC#C)c1nnc(COc2cc(C)cc(C)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1690025355 NTZYGMDQKJZADO-WCWDXBQESA-N 458.522 2.073 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccnc1-n1cccn1 1690031223 CRINNUQDACOBHR-UHFFFAOYSA-N 451.494 2.017 30 10 JEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1Cc1ccc(N2CCSCC2)cc1 1690052159 BZLMWTHCTRAYHH-UHFFFAOYSA-N 462.623 2.465 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCN1CCN(CC)CC1 1690077927 ZVMPMJZVAVGJQR-NRFANRHFSA-N 489.665 2.074 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@H]1CCOC1 1690101089 NSZDWHXSZKACDV-SFHVURJKSA-N 450.543 2.188 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccccc2Br)CC1 1690113641 PMYFNRRPPCJDNS-QFIPXVFZSA-N 474.403 2.496 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1690255857 XIBYNNRTLLRJSF-WCIQWLHISA-N 468.620 2.141 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H](C2CC2)C1 1690717998 XUGYSEBJFYLMPW-IBGZPJMESA-N 493.655 2.033 30 10 JEEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1705523498 ZDFMAWNUMZAUST-ACRUOGEOSA-N 458.607 2.388 30 10 JEEE C#CCN(C)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1705542104 YHSLCTNFCDCKLK-QZTJIDSGSA-N 461.588 2.310 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccc(C(F)(F)F)cc1)[C@H]1CCS(=O)(=O)C1 1705558612 COWJBXCAIFVZCP-KRWDZBQOSA-N 483.516 2.110 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CC(C)(C)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1705561221 RIGWHCNEHBBPLQ-AWEZNQCLSA-N 484.504 2.141 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1CCOCCCC)[C@H]1CCS(=O)(=O)C1 1705563468 YFFOHJOEIKORMN-SFHVURJKSA-N 460.556 2.117 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CCCN1CCCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1705571066 WKODRMLJNJQKNS-UNMCSNQZSA-N 470.643 2.155 30 10 JEEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CCc2ccc(OCC(F)(F)F)nc2)CC1 1705638330 GYYKKVRFAIFNRV-UHFFFAOYSA-N 472.475 2.069 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2CCCN2CCCO[C@@H](C)C2)CC1 1705640761 FCMYAUQZYTWXFY-QFIPXVFZSA-N 466.630 2.134 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCCc3ccccc3)n2C[C@H]2CCOC[C@@H]2OC)CC1 1705650605 VBBZAQOJUVYHSJ-RPWUZVMVSA-N 479.625 2.471 30 10 JEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCCN(C(=O)c2ccccc2F)CC1 1705652492 BKRIWIFDZPORBW-UHFFFAOYSA-N 472.590 2.274 30 10 JEEE C#CCSCCn1c(N2CCc3nc(O)c(C#N)cc3C2)nnc1[C@@]1(OC(C)C)CCOC1 1705665172 LZJFFNWXKMVZPL-HSZRJFAPSA-N 468.583 2.220 30 10 JEEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC2(CC1)CNC(=O)C2 1705755305 QQOHOMXTISEXMO-INIZCTEOSA-N 480.997 2.446 30 10 JEEE C=CC[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(C)=O)CC1)c1ccccc1 1705795219 FEYJXPCJAGRICU-RXVVDRJESA-N 474.631 2.307 30 10 JEEE C=CCCOCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](C(=O)OC)C1 1705830605 TULMUIPRLNTCPZ-MSOLQXFVSA-N 479.578 2.179 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN(Cc2cccs2)CC1 1705932441 UIEIPLUBIJISDA-UHFFFAOYSA-N 458.613 2.325 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2C[C@H](C)S[C@H](C)C2)nnc1[C@]1(OC(C)C)CCOC1 1705939564 ZSOLMOZAZGXWON-QKLQHJQFSA-N 458.650 2.250 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2C[C@H](CC)N2CCCC2)c1 1722307925 YVSQQMJBUUUFEM-QFIPXVFZSA-N 477.613 2.331 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@](C)(O)c2cccs2)c1 1722308871 HJFLPRMGBWAXAS-KOSHJBKYSA-N 478.578 2.255 30 10 JEEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1722321783 KPRPYTMRUOSXBR-SFHVURJKSA-N 454.579 2.008 30 10 JEEE C#CCCCn1c([C@@H]2CCCCO2)nnc1N1C[C@@H]2[C@H](C1)[C@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1722333802 OHOFNJHKOQLFSW-AKHDSKFASA-N 493.630 2.060 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H](C)N(C)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1722369244 WSYNJJOHDZGQOC-MDNUFGMLSA-N 485.654 2.319 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1sc(C)nc1C 1722375963 VTBGXUDVVCTYRH-UHFFFAOYSA-N 468.608 2.390 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCO3)n1CC[C@@H](C(F)F)N1CCOCC1 1722392968 XHCJDPOBABRTET-IBGZPJMESA-N 471.508 2.493 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2cc(-c3ccccc3)no2)CC1 1722432011 VDDPFHNYKUVETB-LJQANCHMSA-N 450.543 2.461 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@@]2(C)CN(C)C2=O)CC1 1722433975 HLXMTBUSJWIERD-OAQYLSRUSA-N 475.366 2.080 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CCC2CCN(CC)CC2)CC1 1722449586 VRDIHIAEDZMUJH-UHFFFAOYSA-N 463.630 2.352 30 10 JEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1722453364 RIBHIYACGHKLIU-UHFFFAOYSA-N 465.627 2.367 30 10 JEEE C=CCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1722581304 SFNWMTUGEFCOFQ-PZJWPPBQSA-N 473.666 2.398 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CC[C@](C)(C(=O)NC)C1 1722693840 BPPKAWSLGYCWPL-CMJOXMDJSA-N 456.616 2.396 30 10 JEEE C=CCOc1ccc(Cn2c(-c3noc4c3COCC4)nnc2N(C)[C@@H](C)CS(C)(=O)=O)cc1 1722705558 FELUMQJGXAAUAJ-INIZCTEOSA-N 487.582 2.488 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CCOC)[C@H](C)C1 1722730801 DAYUQVDROCTMRN-HXUWFJFHSA-N 468.602 2.284 30 10 JEEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(C(C)(C)C)n1Cc1ccc(N(C)C)nc1 1726641819 DWGFRXPPNKLRGF-QGZVFWFLSA-N 460.590 2.462 30 10 JEEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCn2cncn2)C[C@@H](C(F)(F)F)O1 1726723093 BIVLMHQHSQTAMO-PBHICJAKSA-N 462.436 2.176 30 10 JEEE CNC(=O)[C@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C(C)C)N2CCOCC2)C1 1729647440 FOZGETJEPYGDJI-ATIYNZHBSA-N 495.628 2.048 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](C(C)C)N1CCOCC1 1740652601 GSRBFDCXTUAZCI-JOCHJYFZSA-N 497.669 2.058 30 10 JEEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1CC[C@H](N1CCOCC1)C(F)(F)F 1740669045 KMBVBUHLLWEBSS-KRWDZBQOSA-N 468.480 2.119 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCCN(C)[C@H]2c2cccs2)CC1 1740689020 NWJFCMOVAFNNNN-PZJWPPBQSA-N 469.659 2.316 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](SC)C(C)(C)C 1740731904 LDLFBYYOLZPHGE-XGHQBKJUSA-N 469.677 2.381 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1740749831 FYDZRDXXZHTZBW-RBUKOAKNSA-N 458.607 2.190 30 10 JEEE C=C(C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1740778592 MEYKNWIUABARJB-MRXNPFEDSA-N 452.519 2.070 30 10 JEEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1740857320 KNOXXBDYYNSDLM-GOSISDBHSA-N 454.579 2.268 30 10 JEEE C=CCN(CC=C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(=O)NCC(F)(F)F 1740926213 XCHDHNHQJDMVCE-UHFFFAOYSA-N 485.536 2.404 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(C(=O)c2cccc(Cl)c2)CC1 1740961656 GTPNYNIYWYRITK-UHFFFAOYSA-N 479.972 2.182 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCCN2CCC)C1 1740979233 CCDVJKKURRFMLE-HSALFYBXSA-N 451.637 2.226 30 10 JEEE CC(=O)N1CCN([C@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CC(F)(F)F)C[C@H]2C)CC1 1741057444 AIXFVXQUYNODQN-BEFAXECRSA-N 461.492 2.368 30 10 JEEE CC(C)(C)S(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1741241089 COUOILYHERIDBY-UHFFFAOYSA-N 494.625 2.070 30 10 JEEE C[C@@H](Cn1c(COc2ccc(F)cc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C)N(C)C 1741864084 HAVPKSFBHRLNDU-ROUUACIJSA-N 479.564 2.323 30 10 JEEE CCOC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)c2ccco2)CC1 1746551911 FSURRAKMTVFZLA-UHFFFAOYSA-N 463.498 2.118 30 10 JEEE COC1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C(C)C)N2CCOCC2)C1 1748486853 GJYUEWIGVJVCHA-NRFANRHFSA-N 454.575 2.311 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1Cc1ccc(F)c(C)c1)[C@@H]1CCS(=O)(=O)C1 1748802706 RLIOTJWBPUNQCW-LJQANCHMSA-N 475.590 2.319 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCc1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1748809449 SNHSUMCNADHAJE-FQEVSTJZSA-N 464.551 2.291 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@H](C)CN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1748811453 HDCALMRJGNUSOC-WOJBJXKFSA-N 458.632 2.032 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H](C)Oc1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 1748818460 ZWVVLXPKRWEFHP-VAMGGRTRSA-N 458.584 2.185 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2c(F)cccc2OC(F)F)CC1 1748978568 MWEBEPKPLIYARH-QHCPKHFHSA-N 479.503 2.474 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccccc3Br)n2CCCC(=O)N(C)C)CC1 1748984041 JPWQNNWSCCLFGI-UHFFFAOYSA-N 459.392 2.331 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2CCO[C@@H]2C(C)C)CC1 1749015797 NUJVPDZNJLFUEB-JTHBVZDNSA-N 467.618 2.167 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC[C@H]2COCCO2)CC1 1749015955 UGLMJZQBHPWVSI-QFIPXVFZSA-N 481.597 2.245 30 10 JEEE C=C(Br)Cn1c(-c2ccccc2C)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1749091945 ITGXQIBEJXBMPN-UHFFFAOYSA-N 487.402 2.433 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCNC(=O)C1CC1 1749147821 RBGMLGXJWXKUHW-UHFFFAOYSA-N 459.620 2.475 30 10 JEEE CC(C)C(=O)NCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@](C)(C#N)C1 1750568703 CFUZKCRGSPOUEZ-QFIPXVFZSA-N 458.588 2.251 30 10 JEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C(=O)N(C)c2ccccc2)C1 1760130238 GCHUVYUWLQEPIB-RTBURBONSA-N 472.615 2.181 30 10 JEEE C#CCN(c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@]1(O)CCOC1)[C@H]1CCS(=O)(=O)C1 1760183857 RUQVMKNTHCNCNI-GBXCKJPGSA-N 472.611 2.021 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@]1(O)CCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1760193422 ZJGXJUQAOQDJOC-PMAPCBKXSA-N 476.574 2.174 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCCO2)n1C[C@@H]1C[C@@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1760208131 KGLWIWRNQILMOL-FUMNGEBKSA-N 455.559 2.227 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(S(C)(=O)=O)CC1 1760234709 RGRCJXLCAZWHRX-QGZVFWFLSA-N 465.620 2.429 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCCCO3)n2CC2CCN(C(=O)OC)CC2)n1 1760253030 UWFAOTYLLLKDGQ-QFIPXVFZSA-N 499.616 2.481 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CCNC(=O)c2cccs2)CC1 1760266522 BWYDJTIBYKZDPL-UHFFFAOYSA-N 466.567 2.304 30 10 JEEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1760277226 DPEJGKSKTQIGNZ-HXUWFJFHSA-N 450.568 2.011 30 10 JEEE C=C(Cl)Cn1c(COc2ccccc2OCC)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1760380120 SMIZUUUETPVHLX-UHFFFAOYSA-N 490.992 2.182 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCN2C(=O)CC[C@H]2C1 1760518493 AVXRGZGULXSEOZ-INIZCTEOSA-N 473.375 2.129 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1760527760 HUTZVWJSQZVZJW-KRWDZBQOSA-N 463.629 2.194 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCC2)CC1 1760532297 REQJZXNAKISZRF-GOSISDBHSA-N 474.631 2.176 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@H]2CCN(CC)C2)C1 1760540005 ZFTNYWZZZGDGDW-CTNGQTDRSA-N 488.658 2.319 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N(C)C[C@H]1CN(CC)c2ccccc2O1 1760555908 QOAFCYNPIUVQDK-OALUTQOASA-N 475.615 2.107 30 10 JEEE C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1)N(C)C(=O)OC(C)(C)C 1761396022 HSMPDKXBILVJJI-VQIMIIECSA-N 480.573 2.286 30 10 JEEE Cc1cc(C)n(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@H]2CCN(CC(F)(F)F)C2)n1 1762439876 BOKNEYZIKKQBJW-QFBILLFUSA-N 454.476 2.466 30 10 JEEE CCCNC(=O)c1cccc(Cn2c(Cn3nc(C)cc3C)nnc2N2CCO[C@@H](C#N)C2)c1 1764501995 HIZCLTTVFOGRMQ-NRFANRHFSA-N 462.558 2.057 30 10 JEEE CCCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCOC[C@@H]2C)CC1 1766204620 FUXBBWQXKRWFKE-IBGZPJMESA-N 465.602 2.280 30 10 JEEE CCN1CCN(C[C@@H](C)Cn2c(CC(C)C)nnc2N2CCN(c3cc(C#N)ccn3)CC2)CC1 1767146588 DPRCMVWUGGTYPH-JOCHJYFZSA-N 479.677 2.343 30 10 JEEE COCC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1769177541 CKCSZDDMKLTZHF-UHFFFAOYSA-N 465.602 2.234 30 10 JEEE CN(C)c1ccc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2CCCNC=O)cc1 1862757871 RNHCUJNFOMFBEA-FQEVSTJZSA-N 452.467 2.375 30 10 JEEE COc1cc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2CCCNC=O)cc(OC)c1O 1862761603 NUGNZANCUOIOAA-IBGZPJMESA-N 485.449 2.032 30 10 JEEE C=CCOc1ccccc1[C@H]1C(C(=O)NC[C@@H](C)O)=C(N)Oc2c1c(C)nn2-c1ccccn1 1864318633 BENXCHPRZCDJGY-QVKFZJNVSA-N 461.522 2.332 30 10 JEEE C=CCOc1ccccc1[C@H]1C(C(=O)NC[C@@H](C)O)=C(N)Oc2c1c(C(F)(F)F)nn2C 1864322668 RIVCDTOEXNWDRS-BXUZGUMPSA-N 452.433 2.195 30 10 JEEE CC(=O)Nc1nc(-c2cccs2)c(CC(=O)N[C@@H](CO)C(=O)Nc2cccc(C#N)c2)s1 1866636254 FJSJPNLMQQUEEL-HNNXBMFYSA-N 469.548 2.360 30 10 JEEE CN1C(=O)c2ccc(NC(=O)[C@H](N=C3NS(=O)(=O)c4ccccc43)c3ccccc3)cc2C1=O 1869934908 VTWRCBYEUUSPCK-HXUWFJFHSA-N 474.498 2.331 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCCCC)cn1CCCN1CCOCC1 1870517453 HJLBTUFAVATJPW-UHFFFAOYSA-N 460.619 2.040 30 10 JEEE C=CCN=c1nc(N2CCN(C(=O)OCC)CC2)[nH]c(=Nc2cccc(Br)c2)[nH]1 1871551068 HPVKVCBNIALKLY-UHFFFAOYSA-N 462.352 2.098 30 10 JEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@]1(C(=O)O)CCCN(C(=O)OC(C)(C)C)C1 2059802191 WQDPKNPIBRVIIP-QRQCRPRQSA-N 453.536 2.264 30 10 JEEE C=C(CCN)CNC(=O)c1cc(I)cc(I)c1O 2076349700 JOODYSHCIUJXBD-UHFFFAOYSA-N 472.064 2.236 30 10 JEEE CC(C)(C)OC(=O)N1CCN(CC(=O)N2CC[C@@H]3C[C@]3(B3OC(C)(C)C(C)(C)O3)C2)C(=O)C1 2194129649 VZWMTUQDLKBYGA-MWTRTKDXSA-N 463.384 2.151 30 10 JEEE CC(C)(C)OC(=O)NCCN(CCNC(=O)OC(C)(C)C)C(=O)C#CB1OC(C)(C)C(C)(C)O1 2241476988 DDTQWIGBDPOONE-UHFFFAOYSA-N 481.399 2.499 30 10 JEEE CC(C)(C)OC(=O)NCC1(CNC(=O)c2ccsc2B2OC(C)(C)C(C)(C)O2)COC1 2255806253 XSDWOGUPHCZDNU-UHFFFAOYSA-N 452.382 2.318 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)[C@@H](O)C1 2255809606 AFIMZKBPZREFPO-HOTGVXAUSA-N 452.382 2.147 30 10 JEEE CC(C)(C)OC(=O)N1CCSC[C@H](NC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2267265396 FNIRLEFWJSSJCW-OAHLLOKOSA-N 463.409 2.463 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@H](CCNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)C1 2267535153 SEXDBNRKJQUCES-CQSZACIVSA-N 467.397 2.198 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2cc(F)ccc2B2OC(C)(C)C(C)(C)O2)[C@@H](O)C1 2281778671 XEVZMIOYZPUDHE-ROUUACIJSA-N 464.343 2.225 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1COC[C@H]1NC(=O)c1c(F)cccc1B1OC(C)(C)C(C)(C)O1 2281786136 DFJCHXCAVKVJBA-RHSMWYFYSA-N 464.343 2.394 30 10 JEEE Cn1nc(C(=O)N[C@@]23CCCN(C(=O)OC(C)(C)C)C[C@@H]2C3)cc1B1OC(C)(C)C(C)(C)O1 2281977636 RYGDEVPJYLRQDC-NPMXOYFQSA-N 460.384 2.239 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N=[S@@](C)(=O)C[C@@H](C)NC(=O)OC(C)(C)C)n1 2281995785 HLVCVDZYYBQSLJ-GSLRCMBYSA-N 484.428 2.353 30 10 JEEE C[C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)N(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)C1 2282038655 LFAZVCLOZOKRHT-CVEARBPZSA-N 462.400 2.485 30 10 JEEE COC(=O)[C@]1(NC(=O)OC(C)(C)C)C[C@H](NC(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2282196636 CTUAVWKYCGSAIX-MRAWUWRDSA-N 480.392 2.376 30 10 JEEE Cc1cc(S(=O)(=O)N2CC[C@@H](NC(=O)C(F)(F)F)[C@@H](C)C2)sc1B1OC(C)(C)C(C)(C)O1 2282327326 GJFGIQSNBUBMND-QWHCGFSZSA-N 496.382 2.433 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@H](CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)c(F)c2)C1 2282473300 JHNVBZCUEKFURU-INIZCTEOSA-N 464.343 2.491 30 10 JEEE CN(C[C@@H]1CCCN(C(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)C1)C(=O)OC(C)(C)C 2282552411 QIAXLYYEQDEPPS-INIZCTEOSA-N 462.400 2.438 30 10 JEEE CN(C(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1)[C@@]1(CNC(=O)OC(C)(C)C)CCOC1 2282670342 GMNFVWLWGFOFRO-HSZRJFAPSA-N 461.368 2.137 30 10 JEEE Cc1ccc(C(=O)NC[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2282687692 JFVRMTKTVWXUEB-XMMPIXPASA-N 460.380 2.396 30 10 JEEE CN(Cc1ccccc1)[C@@H]1CCCCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)C1 2282700595 RNIMEKFFCPDSHK-LJQANCHMSA-N 453.396 2.241 30 10 JEEE C[C@@H]1C[C@@H](NC(=O)C(F)(F)F)CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2O)C1 2282820296 SKFJDSUUHQDEDV-TZMCWYRMSA-N 456.270 2.221 30 10 JEEE CC1(C)OB(c2cc(C(=O)NC3[C@H]4CN(Cc5ccccc5)C[C@H]34)c(O)cc2O)OC1(C)C 2282986265 OHDSELFIWWVNOT-ROUUACIJSA-N 450.344 2.257 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1COCC[C@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2283992180 YHLYSNOYOXFFSF-GDBMZVCRSA-N 465.331 2.388 30 10 JEEE Cc1nc(NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H]2CCCO2)ncc1B1OC(C)(C)C(C)(C)O1 2284043235 XHTLINUSVDAPFP-HZPDHXFCSA-N 462.356 2.095 30 10 JEEE Cn1nc(C(=O)N[C@H](COCc2ccccc2)CC(=O)O)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2284456976 FWRJHNBHFYCJEZ-HNNXBMFYSA-N 477.754 2.163 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@H](C(=O)NCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2285184084 HVJCTQXLAQEFHH-SFHVURJKSA-N 464.343 2.377 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 2285203727 KESXOHLDAGNNCQ-QGZVFWFLSA-N 461.368 2.055 30 10 JEEE COC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)Oc1cc(B2OC(C)(C)C(C)(C)O2)c(F)cn1 2345740786 IINOEEBMJVFTBX-MLGOLLRUSA-N 454.304 2.354 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2C[C@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)n1C 2362492515 MISSEOZQTSOZBM-ARFHVFGLSA-N 460.384 2.155 30 10 JEEE COc1ccc(NC(=O)[C@H]2COC[C@@H]2NC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2365287840 FQJRJZHLYHWKSF-RDJZCZTQSA-N 462.352 2.473 30 10 JEEE CC(C)(C)OC(=O)N1[C@H](CN=c2cc(B3OC(C)(C)C(C)(C)O3)c(F)c[nH]2)C[C@H]2COC[C@@H]21 2371992116 KYJMVJNYCMHEAK-MPGHIAIKSA-N 463.359 2.378 30 10 JEEE COc1ccc(OC)c(NC(=S)/N=C(/NCCN2CCOCC2)Nc2nc(C)cc(C)n2)c1 14158197 YPCMSVJYFJRODD-UHFFFAOYSA-N 473.603 2.197 30 10 JEEE COc1ccc(OC)c([C@H]2CCCN2C(=O)CN2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 31294853 LZLZNMLRRRQFLL-JOCHJYFZSA-N 498.605 2.245 30 10 JEEE C=CCOc1c(I)cc(/C=N\N=C2/NC(=O)[C@H](CC(=O)O)S2)cc1OC 33432256 AIIJGUBQXMXVDS-QTPLJXKRSA-N 489.291 2.261 30 10 JEEE NC(=S)N1N=C(c2ccccc2)/C(=N/Nc2ccc3ccccc3c2S(=O)(=O)O)C1=O 96570037 GPTMARWWOMJWAZ-QJOMJCCJSA-N 453.505 2.345 30 10 JEEE CC(C)(C)OC(=O)NCCC[C@@H](NC(=O)OCc1ccccc1)C(=O)ON1C(=O)CCC1=O 380969158 ADMMOSLRYWQTJQ-MRXNPFEDSA-N 463.487 2.194 30 10 JEEE C#CC[C@H](NC(=O)Nc1cc(I)cc(I)c1)C(=O)O 690407640 HPGKIGKNLAVHHZ-JTQLQIEISA-N 484.031 2.494 30 10 JEEE Cn1nccc1[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC#CC(=O)O 757474080 GUBNJGNQMBBUNU-QHCPKHFHSA-N 458.474 2.204 30 10 JEEE C[C@H](OC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C(=O)Nc1sc2c(c1C#N)CCC2 919318154 DGQGPGCJISUKSK-ZDUSSCGKSA-N 457.533 2.465 30 10 JEEE COCCn1cc(C=NNc2nnc(SCC(=O)c3ccc(Br)cc3)n2N)cn1 1083922570 FACOTAJPEYJBHX-UHFFFAOYSA-N 479.364 2.018 30 10 JEEE COC(=O)c1ccc(C=NNc2nnc(SCCC(=O)Nc3cccc([N+](=O)[O-])c3)n2N)cc1 1084559433 VGBRUICTDVMFQV-UHFFFAOYSA-N 484.498 2.254 30 10 JEEE C=CC[S@](=O)(=NC(=O)c1ccccc1S(=O)(=O)CCS(C)(=O)=O)c1ccccc1 1134655197 ZBJBIVVPWWBWBO-MUUNZHRXSA-N 455.579 2.358 30 10 JEEE C#CCN(c1nnc([C@@H](C)CC)n1CC1(SC)CCN(C)CC1)[C@H]1CCS(=O)(=O)C1 1286385940 RMFLLPIXRHLMAI-ROUUACIJSA-N 453.678 2.246 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1csc(COC)n1 1286401429 NGDJVBVKFTXHAW-UHFFFAOYSA-N 455.565 2.073 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1SCCc2ccccc21 1286446727 HFEUPLCVKNAAJT-VQTJNVASSA-N 475.640 2.101 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@H](c2ccc(F)cc2)N(C)C)CC1 1286490516 XBZNCZWSAXXXFZ-JOCHJYFZSA-N 476.560 2.143 30 10 JEEE C#CCSCCn1c(-c2ccc(CC)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1286501263 RJAOVNZCPDGDQS-LJQANCHMSA-N 452.584 2.347 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)CCCNC(=O)C1CCC1 1286546937 CDOJHCZBDLPFLF-WOJBJXKFSA-N 458.607 2.238 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1nnc2n1CCC2 1286758882 WZVZPPAOUAECJW-QGZVFWFLSA-N 470.578 2.351 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1286821240 FFYZYONQMQXWCH-LJQANCHMSA-N 472.571 2.047 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)c(C)c2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1286824203 XDXOHHDWBQIFLH-NHCUHLMSSA-N 487.626 2.322 30 10 JEEE CC(C)NS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H]1[C@H]1CCCO1 1288267642 DZISYBDQEJYRIA-WOJBJXKFSA-N 458.588 2.292 30 10 JEEE CC1(C)CCC[C@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1289003326 FQZOTMJJGFKGPV-ZWKOTPCHSA-N 450.609 2.177 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CC(F)(F)Br)c1 1300332159 YSMPTXRDOZAFLJ-UHFFFAOYSA-N 483.317 2.460 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@@](C)(O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1300482497 GIUOFZUCLQFXQE-AUSIDOKSSA-N 454.552 2.381 30 10 JEEE C#CCN(c1nnc(CC2CCCC2)n1Cc1cccnc1OCC)[C@@H]1CCS(=O)(=O)C1 1300502997 ZNBZFFYDLBDTEZ-HXUWFJFHSA-N 457.600 2.480 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1300521061 RTGFJXTXTABRTP-UNMCSNQZSA-N 467.595 2.231 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2Cc2ccc(S(C)(=O)=O)cc2)CC1 1300703964 XBDNXVVXMRRVNJ-UHFFFAOYSA-N 455.609 2.137 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCNC(=O)C2CCC2)CC1 1300718934 ZOKPRAUFIYJISM-UHFFFAOYSA-N 493.568 2.126 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@H]2CCC[C@H](O)C2)CC1 1300725842 FBXUJQRLCXRSDW-KNQAVFIVSA-N 465.598 2.394 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2Cc2c(CC)nn(C)c2OC)CC1 1300726540 NSEZDCOUYADUAK-UHFFFAOYSA-N 489.624 2.496 30 10 JEEE C=C1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H](COC)OC)CC1 1301087280 ZOFGSULJODROCF-MSOLQXFVSA-N 451.568 2.404 30 10 JEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(F)cc(F)c(F)c1F)C1CC1 1301326580 COXJVODTOFNBCE-MRXNPFEDSA-N 489.495 2.371 30 10 JEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1ccsc1)N(C)C)C1CC1 1301327018 KTQVDEFHZGXPOO-RBUKOAKNSA-N 480.660 2.130 30 10 JEEE C=CCn1c(-c2cc(OC)ccc2Br)nnc1N1CCN(C(=O)COC)CC1 1301435930 AURFIQGFQUVQCE-UHFFFAOYSA-N 450.337 2.197 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCN(CCOC)[C@@H](C)C1 1301496597 DMKBJYSGVBKNQK-SFHVURJKSA-N 465.558 2.059 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](C(F)F)C1 1301568305 QRAYNJOIQHEVAJ-AWEZNQCLSA-N 454.503 2.008 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(c2ccccn2)CC1 1301578024 XEQJKTQNWAPGQC-UHFFFAOYSA-N 498.609 2.285 30 10 JEEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1301617784 HPKZQUMTPQCAHP-UHFFFAOYSA-N 475.707 2.315 30 10 JEEE C#CCNS(=O)(=O)c1ccc(C(=O)NCC(=O)c2ccc(Br)c(F)c2)cc1 1301904906 JRYNLVATUZCTFR-UHFFFAOYSA-N 453.289 2.112 30 10 JEEE CCc1cnc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(C(N)=O)CC2)s1 1305996842 BSSMSEGHBCNHLI-UHFFFAOYSA-N 451.556 2.498 30 10 JEEE C=CCC[C@@H]1CCCN1C(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 1312979057 ZEPPTQCVSZGRQR-HXUWFJFHSA-N 450.605 2.287 30 10 JEEE CO[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(N2CCCNC2=O)CC1 1315163927 CWDNONKECQTBAV-KRWDZBQOSA-N 453.547 2.148 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@@H](C)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1358959945 SNUXBEYHIADVLF-UYAOXDASSA-N 459.616 2.311 30 10 JEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN1CCCCCC1 1358975814 FZLLHMHXSZCHBT-UHFFFAOYSA-N 453.616 2.187 30 10 JEEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@]1(O)CCC[C@@H]1C 1358981798 XYKCNOZWVRBENW-HOFKKMOUSA-N 460.626 2.267 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCN(CC)S(C)(=O)=O 1358998420 DXCBBOBFBJYRHU-WOJBJXKFSA-N 463.648 2.331 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H](C)Oc2ccc(F)cc2)CC1 1359044248 AMSGDEZACMWILI-MJGOQNOKSA-N 455.534 2.354 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2ccc(Cl)cc2)C1 1359121823 KKQMQQXFNOCUAX-RTBURBONSA-N 482.006 2.418 30 10 JEEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CCC(N2CCCC2=O)CC1 1359136092 YYTHPIPLTUQIBO-UHFFFAOYSA-N 472.615 2.454 30 10 JEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](c2ccc(F)cc2)N(C)C)CC1 1359159525 YCNXEJHBQMTBNJ-APWZRJJASA-N 450.584 2.487 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccn2C)n1CCC[C@@H]1NC(=O)NC1=O 1359255599 DTCNDHWYTRWWSP-IBGZPJMESA-N 458.526 2.336 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@H]2CCCO2)C1 1359315374 SXLDWOABQLGWTR-MOPGFXCFSA-N 461.588 2.156 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](C)S[C@H](C)C1 1359328367 BAQGBWAUFPCPJQ-HZPDHXFCSA-N 484.669 2.280 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)CC(F)(F)F 1359330742 BPAMWDPSOZEHPA-UHFFFAOYSA-N 484.504 2.274 30 10 JEEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 1359342180 QWHXHUADHSIHGN-HOTGVXAUSA-N 450.609 2.499 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(-n2ccnc2)c(F)c1 1359473609 FGRMNZSLDDTCNX-WBVHZDCISA-N 457.535 2.149 30 10 JEEE C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@@H](N1CCN(C(=O)OC(C)(C)C)CC1)C(F)(F)F 1436016244 AHIUYTGZLANYAE-JKSUJKDBSA-N 450.502 2.057 30 10 JEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@@H](CCSC)NS(=O)(=O)c1ccccc1F 1452936527 PHBQOEABLFUHDW-MRXNPFEDSA-N 458.577 2.029 30 10 JEEE C=CCc1cc(CNS(=O)(=O)c2ccc(NS(C)(=O)=O)c(F)c2)cc(OC)c1OC 1462942010 GAUSWWSWPNZLQJ-UHFFFAOYSA-N 458.533 2.421 30 10 JEEE COC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCC(O)CC2)CC1 1503860710 HWMZDQQIQMTYDD-UHFFFAOYSA-N 452.559 2.053 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H](C)CN1CCOCC1 1507531880 DUFDKQHQRYIJIG-OALUTQOASA-N 463.586 2.101 30 10 JEEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](C(=O)OC)C1 1507588704 PKUCYWVZNAYJDJ-ROUUACIJSA-N 461.563 2.389 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1CCOCCOC)[C@@H]1CCS(=O)(=O)C1 1507629059 RHTBFMPQBTXXCS-MRXNPFEDSA-N 470.954 2.027 30 10 JEEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1CCc1ccccc1C)[C@H]1CCS(=O)(=O)C1 1507639190 JTCVPNMBKHZPMX-FQEVSTJZSA-N 497.646 2.447 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2Cc2ccc(C)n(C)c2=O)CC1 1507720845 XGSBOONJPDGXSP-LJQANCHMSA-N 464.545 2.368 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCCSCC(C)C)CC1 1507720930 KBHLFDCWVOYHHX-UHFFFAOYSA-N 465.631 2.455 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCN(CC)C(=O)OC(C)(C)C)CC1 1507732961 MHBPRAGLZSQUNY-PMACEKPBSA-N 476.622 2.014 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](CC)Oc2ccccc2F)CC1 1507733306 SZYGQXPSFBEMON-FQEVSTJZSA-N 496.587 2.477 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@@]2(C)COCCO2)CC1 1507734964 FXOISTDBSWCWHU-DEOSSOPVSA-N 487.988 2.378 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Cl)n2CC[C@@H]2COCCO2)CC1 1507735932 BDSIYTAILMQMLE-GOSISDBHSA-N 457.962 2.370 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2CCSCC#C)CC1 1507743010 VOOQLFPEGWYBOU-UHFFFAOYSA-N 451.596 2.210 30 10 JEEE C#CCSCCn1c(-c2ccccc2F)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1507748835 SAUSNXHKCGUJNE-KRWDZBQOSA-N 463.604 2.455 30 10 JEEE C=C(Br)Cn1c(-c2noc3c2COCC3)nnc1N1CCC(CC(=O)NC)CC1 1507781760 IJOKBGJCZXYRBM-UHFFFAOYSA-N 465.352 2.267 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[C@@H](OCC)C(C)C)CC1 1507884611 KMSCWTWUXAJFDF-MOPGFXCFSA-N 455.625 2.219 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1(O)CCS(=O)(=O)CC1 1508020798 OPONCJZJFJJZOB-HDICACEKSA-N 495.646 2.167 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCO[C@@]2(CCOC2)C1 1508076060 RQZBVANATUJLIP-DVECYGJZSA-N 455.559 2.333 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@H]2CCC(=O)N2)C1 1508129550 RUEINXSAKFEGLH-SQNIBIBYSA-N 460.579 2.410 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 1508148226 QDQPSGMRBYUXSD-QAPCUYQASA-N 466.526 2.260 30 10 JEEE Cc1ccc(C)c(OCc2nnc(N3CCO[C@H](C#N)C3)n2CC2(CS(C)(=O)=O)CC2)c1 1510751633 GWLOIIZRIGYXHM-GOSISDBHSA-N 459.572 2.028 30 10 JEEE CCN1CCN(C[C@H](C)Cn2c(C)nnc2N2CCN(c3ccc(C#N)cc3F)CC2)CC1 1515935290 CJNNCJTZGTVVOK-IBGZPJMESA-N 454.598 2.198 30 10 JEEE CCOC(=O)N[C@@H](CC(C)C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)C1 1516057566 APWAQOYWXKBHSX-IBGZPJMESA-N 483.573 2.168 30 10 JEEE C#C[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1)c1ccc(Cl)cc1 1528062162 XTYCUQGXPJZLTC-NRFANRHFSA-N 459.955 2.297 30 10 JEEE C#Cc1cccc(CNC(=O)CCn2c(=O)oc3cc(S(=O)(=O)N4CCCC4)ccc32)c1 1528920569 TUSXEQIHMRRGOT-UHFFFAOYSA-N 453.520 2.067 30 10 JEEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1539028885 DQVBIQWFLLEMLX-RCZSKKKRSA-N 482.610 2.391 30 10 JEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCn1cc(Br)cn1 1539179933 UIMHHXBAFZICNL-MRXNPFEDSA-N 494.394 2.315 30 10 JEEE C#CCN(c1nnc(-c2ccc(OCCC)c(OC)c2)n1CC1(C)COC1)[C@@H]1CCS(=O)(=O)C1 1539213005 ZMHDDPBYAAJVSW-LJQANCHMSA-N 488.610 2.406 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H](OC)[C@H](C)CC)CC1 1539434615 PTRKOZNRHXBWJM-WIYYLYMNSA-N 459.616 2.165 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2nc(C(F)(F)F)cs2)CC1 1539466946 JWTZRKDKPQSRKF-UHFFFAOYSA-N 495.531 2.004 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccnc2OC2CCCC2)CC1 1539467390 SEDROGZPCYNAIK-UHFFFAOYSA-N 493.612 2.147 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCN(C)CC(F)(F)F)CC1 1539470732 XNHCKVXKAUVMJE-UHFFFAOYSA-N 493.490 2.313 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2CC(C)(C)N2CCOCC2)CC1 1539474651 WFEKQYKJAJNPMQ-UHFFFAOYSA-N 450.587 2.022 30 10 JEEE C=CCN(CCOC)c1nnc(-c2cc(OC)ccc2Br)n1CC(=O)N(C)C 1540191123 DBSLRSYZSGQXRC-UHFFFAOYSA-N 452.353 2.443 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1540874295 AZRBDBGYVFZSQK-NHCUHLMSSA-N 455.559 2.160 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCCNS(C)(=O)=O)C1 1540887072 PJMXUUIAOJWFMA-HNNXBMFYSA-N 457.959 2.458 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCC(=O)NCCC)C1 1540892660 PTMGUHSZHXAYGE-RBUKOAKNSA-N 492.621 2.284 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2cccc(Br)n2)C1 1540895090 LGFXCIJYIUKOEJ-INIZCTEOSA-N 461.364 2.388 30 10 JEEE C=CCSCCn1c(N2C[C@H](C)[C@H](N3CCOCC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1540922529 QHWYJNYTSPPRTC-MIZPHKNDSA-N 465.664 2.395 30 10 JEEE CNC(=O)[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CC12CCN(C(=O)CCOC)CC2 1548377752 XOAUYLYBLHUPPB-SFHVURJKSA-N 452.477 2.405 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@H](C(C)C)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1588049547 ICJWCIFAOHZYIN-IRLDBZIGSA-N 470.643 2.396 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1cccnc1OCCCC)[C@H]1CCS(=O)(=O)C1 1588053582 FXHLUIYYWOYJKN-SFTDATJTSA-N 487.626 2.421 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCN1CCCS1(=O)=O 1588180706 IWYHDNXKOVYCOF-GOSISDBHSA-N 459.547 2.056 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@@H](CC(C)C)NC(=O)OCC)CC1 1588913268 FKGBXTZJIRHZDK-HXUWFJFHSA-N 481.601 2.467 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2Cc2cccc(CN(C)C)c2)CC1 1588913285 GGKQBMCLRUMNIA-UHFFFAOYSA-N 459.598 2.359 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H](NC(=O)CCC)C1 1589570585 VPOQIAGKINOZAP-YDHSSHFGSA-N 458.607 2.267 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCCN(c2cc(OC)cc(OC)c2)CC1 1595561922 HQKSMRUUYDEQBT-UHFFFAOYSA-N 491.596 2.300 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1595577112 JGVOSHWRSISQKV-XLIONFOSSA-N 482.585 2.392 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H](C(F)(F)F)C1 1595765609 DXRZILHQGLCVOI-HNNXBMFYSA-N 475.449 2.222 30 10 JEEE C[C@@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1Cc1cccnc1OCC(F)F 1612657282 DNRGXBPSSGSWHH-MRXNPFEDSA-N 497.506 2.483 30 10 JEEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1Cc1ccc(C[S@](C)=O)cc1 1614028411 CNEQRCCONSNBNV-GTOJURISSA-N 464.599 2.144 30 10 JEEE C[C@H]1COC(C)(C)CN1c1nnc(-c2cccc(C#N)c2)n1CCS(=O)(=O)N1CCSCC1 1620323183 AHUCHXNTCRYZIL-KRWDZBQOSA-N 490.655 2.199 30 10 JEEE C#CCCCCn1c(N2CCN3C(=O)N(CC(C)C)C[C@@H]3C2)nnc1[C@]1(OCC)CCOC1 1689907078 ZUSXPTUMSZPYEI-RDPSFJRHSA-N 458.607 2.316 30 10 JEEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1689915333 XZHRSVGMMZSEGR-LJQANCHMSA-N 466.405 2.475 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1Cc1ccnc(OC(F)F)c1)[C@@H]1CCS(=O)(=O)C1 1689983062 ZWOWMBQXJCRGLI-LJQANCHMSA-N 498.515 2.488 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCOc1ncccc1F)[C@H]1CCS(=O)(=O)C1 1689984341 NPUSJXOXSJIYHK-IBGZPJMESA-N 480.525 2.057 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1ccc(C(C)(C)O)cc1)[C@H]1CCS(=O)(=O)C1 1689989368 DXTLNZAXMAHWPC-SFTDATJTSA-N 472.611 2.422 30 10 JEEE C=C(Cl)Cn1c(N2CCC(CNC(=O)c3cnn(C)c3)CC2)nnc1[C@]1(OCC)CCOC1 1690358562 DRZPIQXXBDPYRF-QFIPXVFZSA-N 477.997 2.063 30 10 JEEE C=CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1690480293 DZVXFDGXVVEHFQ-JKSUJKDBSA-N 458.588 2.416 30 10 JEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1C[C@H](OCC)C1(C)C 1690484748 CJRLIDHHFVNPHX-KSZLIROESA-N 455.625 2.217 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCS(=O)(=O)NC(C)C)C1 1690691283 BHZZBPXRRMLWQE-MRXNPFEDSA-N 454.984 2.103 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1690719317 KRCKPZNALCEUKL-FQEVSTJZSA-N 486.642 2.399 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1690719728 RVXGPXQSOQEILI-KRWDZBQOSA-N 473.020 2.213 30 10 JEEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1690740541 YTWABMBADGIMQW-MRXNPFEDSA-N 453.576 2.052 30 10 JEEE C[C@](O)(Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1)c1ccccc1Cl 1692810255 BBRVGYVPHVDRQV-KKSFZXQISA-N 463.991 2.481 30 10 JEEE C[C@H]1CN(CCCn2c(COc3ccc(C#N)cc3)nnc2N2CCOC[C@@H]2C)CCCO1 1693843474 HQZJEAINIUEOFV-PMACEKPBSA-N 454.575 2.455 30 10 JEEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCc1ccc(OC)cc1OC 1694737411 CUPDRWAQIXTXKV-KRWDZBQOSA-N 462.558 2.477 30 10 JEEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCOc2ccc(F)c(Cl)c2)C1 1698483612 GQYYWXJTPUWBCV-BFUOFWGJSA-N 471.917 2.494 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1CCC[C@@H]1NC(=O)NC1=O 1705480113 OUEJNUYSXHHRIS-ABAIWWIYSA-N 463.311 2.293 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(SC)CCN(C)CC1 1705482002 QJSLQPBFZLJITK-SFHVURJKSA-N 490.699 2.481 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1705571730 GSNBXDMTXCABNK-NCXUSEDFSA-N 450.605 2.002 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1Cc1ccc(I)cc1 1705572291 XABYYRJQXHCMHZ-UHFFFAOYSA-N 461.307 2.142 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCO[C@H](C)C1 1705591037 DHBPOODKFLRTJN-UXHICEINSA-N 469.611 2.473 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2F)n1C[C@H]1CCN(S(C)(=O)=O)C1 1705592287 HBSWGEMHPHVMGF-INIZCTEOSA-N 463.966 2.482 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2Cc2conc2COC)CC1 1705639950 ZPQAKZVKXPUVSK-LJQANCHMSA-N 499.616 2.331 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(OC(F)F)cc2)CC1 1705648439 SVVPHRJFPJSWPV-GOSISDBHSA-N 459.497 2.398 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CCCN2CCCC[C@@H]2C)CC1 1705649997 KTTIDEFJPPGZSZ-NRFANRHFSA-N 463.630 2.494 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccs2)CC1 1705698860 ZIWKIBWEBNBPLE-AOIWGVFYSA-N 480.660 2.258 30 10 JEEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(C(=O)N2CCCC2)CC1 1705741066 FIQZFHHGTRCABK-SFTDATJTSA-N 461.607 2.434 30 10 JEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCNC(=O)OC(C)(C)C)CC1 1705781443 ZZLTYFICKCAVBH-HNNXBMFYSA-N 456.613 2.206 30 10 JEEE C=CCN(CCOC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCn1cncn1 1705884542 QYURUXMIZRIHTD-UHFFFAOYSA-N 460.583 2.323 30 10 JEEE C=CCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1705888728 QDCMDZQIFJCBFF-HNNXBMFYSA-N 450.337 2.244 30 10 JEEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)Cc1ccccc1OC 1705895628 MZWJRPACUKSSBP-UHFFFAOYSA-N 497.625 2.494 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1705931750 YZWIFZWTZJTING-IBGZPJMESA-N 494.017 2.027 30 10 JEEE C#CCN(c1nnc(-c2ccc(F)cc2Br)n1C[C@@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1722361343 HKJDZWOZDFESDF-ZBFHGGJFSA-N 498.422 2.424 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@H](C)CN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1722361801 PIOKBSIHJUIWRW-UYAOXDASSA-N 456.616 2.007 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1CC[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1722370019 KIJHDBQGXVZKAT-MSOLQXFVSA-N 462.547 2.050 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@](C)(O)c2cccs2)CC1 1722446923 BNVJNUULOCJTDA-FDDCHVKYSA-N 457.600 2.107 30 10 JEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N(C)CC(=O)Nc1cccc(Cl)c1 1722462621 OUIUASIDUXYOCH-UHFFFAOYSA-N 460.991 2.495 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1722490570 ASABCMOFLTZBMX-YQVWRLOYSA-N 469.546 2.184 30 10 JEEE C=C(Cl)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1722551724 CCHKGLUYZPXPEI-UHFFFAOYSA-N 460.941 2.032 30 10 JEEE C=CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1722598522 JMXCITFNLSAXIL-SFHVURJKSA-N 457.966 2.432 30 10 JEEE C=CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1722688218 VZABFXOUDKELNB-UHFFFAOYSA-N 460.542 2.295 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC(OC[C@H]2CCCCO2)CC1 1722725328 JHRDPPYOYGXOCW-OAQYLSRUSA-N 475.615 2.495 30 10 JEEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(OCC2CC2)CC1 1729221027 GSTOTPJALDBUCI-UHFFFAOYSA-N 458.588 2.151 30 10 JEEE COCCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1CCc1nc(C(F)(F)F)cs1 1730762562 GWWGPYOXOVXTJP-GFCCVEGCSA-N 457.482 2.314 30 10 JEEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N2CCCCCC2)CC1 1730788203 BESRGIGDEOUPAC-UHFFFAOYSA-N 465.602 2.378 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1Cc1ccccc1CN1CC[C@H](O)C1 1740531335 JZOBANLSAAHUOI-GCJKJVERSA-N 452.603 2.269 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CC(CC)(CC)OC)c1 1740562374 JGIQAHTUXLVQLH-IBGZPJMESA-N 452.559 2.491 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCCc2cc(OC)ccc21)[C@@H]1CCS(=O)(=O)C1 1740616359 ZSWTUAHHMBKBKP-VQTJNVASSA-N 499.637 2.172 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@](C)(OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1740618204 DZLRRPYGAXVJCM-SIKLNZKXSA-N 473.555 2.295 30 10 JEEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCCSC1)[C@@H]1CCS(=O)(=O)C1 1740625406 QKHDXEQHGZSLTB-IAGOWNOFSA-N 493.680 2.040 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC2(O)CCCC2)CC1 1740694917 XPVJKGAGWWBTGW-FQEVSTJZSA-N 472.634 2.453 30 10 JEEE C=C(C)COCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(CC(=O)NCC)CC1 1740791653 OPNUZAIEXJJFHF-UHFFFAOYSA-N 465.602 2.288 30 10 JEEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1740793466 JSHXVXTYKWIHHQ-XUZZJYLKSA-N 481.645 2.236 30 10 JEEE C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2nc(CC)ns2)CC1 1740800746 HZONJXGUNDSGTO-UHFFFAOYSA-N 459.967 2.418 30 10 JEEE C=CCN(CCc1ccco1)c1nnc(-c2ccccn2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1740936365 RETBGDDXTKJOCE-GOSISDBHSA-N 456.572 2.450 30 10 JEEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)Cc1cccs1 1740959273 PUZUMBAFUOJIDY-UHFFFAOYSA-N 459.601 2.238 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2(CS(C)(=O)=O)CC2)C1 1740974344 LIMYLJOAYJKVQU-SFHVURJKSA-N 461.544 2.459 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCCn2cc(Br)cn2)C1 1740979249 IFRYEDKTDASXNB-DLBZAZTESA-N 478.395 2.450 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCc2cn[nH]c2)C1 1740981456 OTXOTMPERMAGJH-RBUKOAKNSA-N 473.578 2.334 30 10 JEEE C=CCSCCn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1741002341 LDNUXAORZHMFBA-UHFFFAOYSA-N 470.643 2.270 30 10 JEEE CC[C@@H](C)N(C)CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1743875694 FBDPTZVNWZYYBG-HXUWFJFHSA-N 476.633 2.463 30 10 JEEE CCOC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCN(C(C)=O)CC2)C1 1747258078 DWGLJYYZEAGEPG-JOCHJYFZSA-N 465.602 2.234 30 10 JEEE CN1CC[C@@](O)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](OCC(F)(F)F)C2)C1 1748049958 GPJYPCHYXQFKGD-NQIIRXRSSA-N 464.492 2.431 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCCS(C)(=O)=O 1748665028 MRKQLGRBVGDUNK-INIZCTEOSA-N 456.572 2.129 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1c(F)cccc1F)N(C)C 1748673016 YJYTUOIRSKCUIE-DAYGRLMNSA-N 451.543 2.219 30 10 JEEE C#CCN(c1nnc(C(C)C)n1Cc1ccc(OC)c(OC)c1OC)[C@@H]1CCS(=O)(=O)C1 1748803369 XZXSMCMQYJDAHQ-QGZVFWFLSA-N 462.572 2.102 30 10 JEEE C#CCN(CC)c1nnc(CSc2ccccc2OC)n1C[C@H]1CCN(S(C)(=O)=O)C1 1748939040 MXCRZEADAWYNPY-KRWDZBQOSA-N 463.629 2.320 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCC2(C)C)n1 1748971305 LBOHOLXNKZQVJM-VQTJNVASSA-N 488.658 2.489 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC[C@](C)(O)c2ccccc2)CC1 1749003457 KONHFIHIGVPOJP-RRPNLBNLSA-N 495.624 2.194 30 10 JEEE COc1ccccc1O[C@H](C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(C#N)C1 1749074307 DKMQCBDBOJDHLO-DRSNIGMVSA-N 476.603 2.494 30 10 JEEE COc1ccccc1OCc1nnc(N2CCC[C@](C)(C#N)C2)n1CC1(C(N)=O)CCOCC1 1749091051 CRIBNQCJKPDHLO-HSZRJFAPSA-N 468.558 2.278 30 10 JEEE C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1749250109 YOXKRPPKOLBTPK-JKSUJKDBSA-N 461.954 2.045 30 10 JEEE C=CCCOCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1749445661 UWKRTUCIWCRSIJ-CQSZACIVSA-N 458.382 2.252 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CC1CC(F)(F)C1 1749669066 GWTWHESPUQJPOF-INIZCTEOSA-N 484.548 2.370 30 10 JEEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H]1C(C)C 1749738069 DLIYYIWYJWIOLW-MRXNPFEDSA-N 451.618 2.495 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1760099426 GQLVAFWBNRLCHM-UUOWRZLLSA-N 472.590 2.031 30 10 JEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCCCN(C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1760179382 QXPRBRBIYWUKDF-QFIPXVFZSA-N 498.653 2.057 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCCO[C@H]1C(C)C)[C@@H]1CCS(=O)(=O)C1 1760180813 LHTCQEWLVUXODS-XARGGIHNSA-N 494.658 2.008 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)OC)[C@H]1CCS(=O)(=O)C1 1760192955 PVQDGHFLNOJHCP-SQNIBIBYSA-N 481.619 2.012 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCC(=O)N1CCCCC1 1760193229 AUXRWYAFQYVTPC-UHFFFAOYSA-N 466.973 2.337 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1760245907 ODEVQPQWEJJVAY-HXUWFJFHSA-N 495.502 2.413 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C)cc2C)n1 1760251529 BTLDOQLMVLDZEU-QFIPXVFZSA-N 461.570 2.377 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)(C)C)n2C[C@]2(C)CN(C3CC3)C2=O)n1 1760251953 IFIQMTRDYFLUST-DEOSSOPVSA-N 453.591 2.069 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CSc3ccccc3OC)n2CC[C@@H]2COCCO2)CC1 1760273216 LNDKYGPNDNIQFL-HXUWFJFHSA-N 499.637 2.350 30 10 JEEE C#CCSCCn1c(Cn2ccc3ccccc32)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1760283934 COMGBUSPCJSFLK-FQEVSTJZSA-N 467.620 2.274 30 10 JEEE C=C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCCn2ccnn2)CC1 1760384040 HYBJSAITPMKNCX-UHFFFAOYSA-N 456.576 2.034 30 10 JEEE C=CC1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1760397471 UWHPRPMARRLLQC-DENIHFKCSA-N 467.636 2.003 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCS[C@@H](C)[C@@H]1C 1760555533 HUDKFZXSFIQFBV-ROUUACIJSA-N 491.687 2.383 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCCO[C@@H](c3ccccc3)C2)nnc1[C@]1(OCC)CCOC1 1760558006 CURKZTYUCGKTOS-QPPBQGQZSA-N 490.626 2.499 30 10 JEEE CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCS(=O)(=O)Cc1ccccc1 1766395828 CKBQPQPVUWDHPZ-UHFFFAOYSA-N 495.609 2.023 30 10 JEEE CNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CN(CC(C)C)CCO2)C1 1767655664 DBUYMMJOTQURNE-FCHUYYIVSA-N 465.602 2.136 30 10 JEEE CNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCc2cnn(C)c2)CC1 1767698859 ALCZVKSDLLTVJJ-UHFFFAOYSA-N 462.558 2.057 30 10 JEEE CO[C@]1(C)CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1769704325 HGBOXWXDNPPEHT-DENIHFKCSA-N 458.588 2.246 30 10 JEEE CCCCCCCCNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CC(=O)N(c2ccccc2C(=O)OC)C1 1861606416 FLSASXWEZUYSCE-KNKQGSTJSA-N 487.597 2.265 30 10 JEEE C=CCN(CC=C)C(=O)C(C)(C)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 1862252513 LXUBECJNRNQOIA-UHFFFAOYSA-N 469.991 2.070 30 10 JEEE O=C(C1=C(O)C(=O)N(CCCN2CCOCC2)[C@H]1c1ccc(O)c([N+](=O)[O-])c1)c1cccc(O)c1 1862597487 VCDBXSCCJAYARV-NRFANRHFSA-N 483.477 2.307 30 10 JEEE CCCCCCCCn1cc(OCC(=O)N(C)C[C@H]2CCCO2)c(=O)cc1CN1CC(O)C1 1870547920 PQUHSYWOKNXIIR-JOCHJYFZSA-N 463.619 2.402 30 10 JEEE COc1cc(/C=N/n2c(SCCO)nnc2[C@@H]2CC(=O)N(C(C)C)C2)cc(Br)c1O 1874339364 SYNPXEKCJVTELG-FCQRQVBFSA-N 498.403 2.446 30 10 JEEE CN(C(=O)C1CCN(c2ccc(-c3cccs3)nn2)CC1)C1CN(c2nccnc2C#N)C1 1891820500 CQUDOYMJPZKKAH-UHFFFAOYSA-N 460.567 2.430 30 10 JEEE COCCn1c(C(=O)N2CCN(c3ccc(C#N)cc3)CC2)cc2c(=O)n3ccccc3nc21 1891840707 OOLXLDDTSRTLMI-UHFFFAOYSA-N 456.506 2.130 30 10 JEEE CC1(C)OB(c2cc(C(=O)N[C@H]3COCCN(C(=O)OCc4ccccc4)C3)co2)OC1(C)C 2255545769 VIIFJCGEAKGGCX-LJQANCHMSA-N 470.331 2.346 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CN(S(=O)(=O)c3cc(B4OC(C)(C)C(C)(C)O4)cs3)C[C@@H]21 2255748391 BMEBPPIXZFWUPO-MIFYACCESA-N 470.422 2.191 30 10 JEEE CC1(C)OB(c2n[nH]cc2C(=O)N2CCC(CNC(=O)OCc3ccccc3)CC2)OC1(C)C 2255826086 KBWWIMGDPXXAEJ-UHFFFAOYSA-N 468.363 2.488 30 10 JEEE Cc1c(C(=O)N[C@@H]2CCN(C(=O)OCc3ccccc3)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2255832791 RJAVMURHWZDZFT-GOSISDBHSA-N 468.363 2.169 30 10 JEEE C=C(CS(=O)(=O)N(CCOC)C1CN(C(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2255953207 FIDAKBXSJPKWTR-UHFFFAOYSA-N 460.402 2.072 30 10 JEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H]1COCC[C@H]1NC(=O)OC(C)(C)C 2266999272 LZIHTEBUISPWRL-HZPDHXFCSA-N 450.341 2.299 30 10 JEEE CC(C)C[C@@H](CNC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2267119890 BTSWDSGHJUANCP-HNNXBMFYSA-N 450.389 2.389 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2ccsc2B2OC(C)(C)C(C)(C)O2)[C@@H](CO)C1 2267456243 GWSOMVOMYRUNQY-GDBMZVCRSA-N 466.409 2.395 30 10 JEEE CC(C)(C)OC(=O)NC/C=C/CNS(=O)(=O)Cc1ccccc1B1OC(C)(C)C(C)(C)O1 2267707946 AIVXSJFMJYWSIU-ZHACJKMWSA-N 466.409 2.486 30 10 JEEE CN(C(=O)OCc1ccccc1)C1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(O)cc2O)C1 2267807421 LCJRUHLSYPTAEL-UHFFFAOYSA-N 482.342 2.490 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@](O)(C(=O)NCc2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2268712278 RWADUKLUFOFZNT-JOCHJYFZSA-N 466.409 2.426 30 10 JEEE Cc1sc(CNC(=O)OC(C)(C)C)nc1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2268718072 WEFZRJVXIUCOPQ-UHFFFAOYSA-N 481.409 2.301 30 10 JEEE Cn1nc(C(=O)N2CC[C@H]3CCN(C(=O)OC(C)(C)C)[C@H]3C2)cc1B1OC(C)(C)C(C)(C)O1 2281960737 DQJNBPPVCCTUGG-RDJZCZTQSA-N 460.384 2.191 30 10 JEEE 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)F 2281985652 LFTOLZLQWHPJRW-DGCLKSJQSA-N 474.289 2.237 30 10 JEEE CC1(C)OB(c2c[nH]nc2C(=O)N2CCCN(Cc3ccccc3)CCOCC2)OC1(C)C 2281990505 NULVLMVUJGPPSC-UHFFFAOYSA-N 454.380 2.074 30 10 JEEE CCc1nc(C(=O)N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2282013144 FKKZPVIVYAUAOG-CQSZACIVSA-N 481.424 2.370 30 10 JEEE COC(=O)[C@@H](CCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)oc1C)NC(=O)OC(C)(C)C 2282050351 AXLHZSRYHDLELZ-OAHLLOKOSA-N 466.340 2.073 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@]2(CCN2C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2282057245 DSMYUDHLUNHILC-CWSKOGRWSA-N 458.368 2.295 30 10 JEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC[C@@H]2CCCCN2C(=O)OC(C)(C)C)n1 2282063226 JIBOJRFJMAZFNP-HNNXBMFYSA-N 463.388 2.024 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N 2282118211 AYIYGMLMJGINHN-KRWDZBQOSA-N 458.368 2.392 30 10 JEEE CC(C)(C)OC(=O)N1CCN([S@](C)(=O)=NC(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)CC1 2282532001 QUNAPHMXUIQOSH-MGBGTMOVSA-N 483.396 2.285 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H](NC(=O)OC(C)(C)C)CC(C)(C)C1 2282534358 FHQQUEURLUVWSI-OAHLLOKOSA-N 462.400 2.485 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(CCO)CCCNC(=O)OC(C)(C)C)n1 2282543395 KOKHXAWIFTUGAB-UHFFFAOYSA-N 463.384 2.039 30 10 JEEE Cn1nc(C(=O)N[C@@]23CCC[C@@H]2N(C(=O)OC(C)(C)C)CC3)cc1B1OC(C)(C)C(C)(C)O1 2282623256 DDDOBHXVUAFAHK-QMHKHESXSA-N 460.384 2.381 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1C[C@H]2C(NC(=O)OC(C)(C)C)[C@@H]2C1 2282834021 ODQJGNLPBFOBKC-IAGOWNOFSA-N 478.420 2.438 30 10 JEEE CC(C)(C)OC(=O)NC[C@]12CC[C@@H]1CN(C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)C2 2283067132 DQYHCLUXERGYNV-CMJOXMDJSA-N 458.368 2.153 30 10 JEEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](CC(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)O1 2283976300 BOMIWIJFKSAJFM-HUUCEWRRSA-N 481.424 2.473 30 10 JEEE C[C@@H](NC(=O)C1(NC(=O)OC(C)(C)C)CC(CO)C1)c1nscc1B1OC(C)(C)C(C)(C)O1 2284063824 QGNNJBJGRAFAIA-JSBZPRQMSA-N 481.424 2.285 30 10 JEEE CON(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nc(C)n1C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2362341585 UAPJVVTUNVWONP-OAHLLOKOSA-N 464.372 2.041 30 10 JEEE COc1cccc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H](CNC(=O)OC(C)(C)C)OC 2365423795 ISCAJYQTRRGPJG-OAHLLOKOSA-N 464.368 2.264 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@H](C(=O)N3CC[C@](C)(B4OC(C)(C)C(C)(C)O4)C3)O[C@H]2C1 2368439231 VGJIAUAYSXUOOM-JHQQDIAJSA-N 466.384 2.475 30 10 JEEE C=CCn1/c(=N/C(=O)[C@H]2CCCCN2S(C)(=O)=O)sc2cc(C(=O)OCC)ccc21 13794828 MYMPZAZPYAOUDM-MODMUFLJSA-N 451.570 2.307 30 10 JEEE N#C[C@H]1C(=O)Nc2nc(N3CCC(C(N)=O)CC3)[nH]c(=O)c2[C@@H]1c1ccc(Cl)cc1Cl 72443740 MDXZVWYDUPJWFV-TZMCWYRMSA-N 461.309 2.002 30 10 JEEE C=CCSC1=NC(=O)C2=c3cc(Br)ccc3=N[C@H](C(=O)c3ccccc3OC)N2N1 588226915 QQHOMHVWGRGKPA-IBGZPJMESA-N 485.363 2.030 30 10 JEEE CCc1ccccc1-n1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cnn3ccccc23)c1=O 729669998 HIJRASDOEYIOCA-UHFFFAOYSA-N 469.570 2.235 30 10 JEEE C#C[C@]1(O)CCCN(C(=O)[C@H](CC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)C1 757466305 JOEKFRFQEDOADS-NVQXNPDNSA-N 462.502 2.355 30 10 JEEE COC(=O)c1ccc(C=NNc2nnc(SCC(=O)NCc3ccccc3Cl)n2N)cc1 1084303249 NDJVVWYRFSWPLW-UHFFFAOYSA-N 473.946 2.286 30 10 JEEE COC(=O)c1ccc(C=NNc2nnc(SCC(=O)Nc3cc(F)ccc3C)n2N)cc1 1084342418 CTWDHAOJHVPWJP-UHFFFAOYSA-N 457.491 2.403 30 10 JEEE CC(C)(C)OC(=O)NC1CCN(CC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 1154116474 GEGFHEKVMUABOF-HXUWFJFHSA-N 455.559 2.159 30 10 JEEE CCc1cc(C(=O)OC)ccc1NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1220070765 FORQXFGDUMUQED-UHFFFAOYSA-N 456.524 2.446 30 10 JEEE C#CCCCCn1c(COc2ccccc2OC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1286334533 KPDSFOPFQGROKW-GOSISDBHSA-N 466.542 2.142 30 10 JEEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1286355967 GVDHUICMTDDCDC-SFTDATJTSA-N 480.661 2.180 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCCN(CC(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1286395070 QQZVMTYWPITYPO-YPAWHYETSA-N 477.675 2.167 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](c1ccc(C)cc1)N1CCCC1 1286419936 IGCHXFHXVDQHHF-FYYLOGMGSA-N 482.654 2.497 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCCN1CCN(CC)CC1 1286442606 GNBXQOOTGNZNKY-UHFFFAOYSA-N 476.629 2.069 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H](C)CN(C)C(=O)OC(C)(C)C)CC1 1286470293 WUXYMEHDEXEFFG-IBGZPJMESA-N 489.665 2.455 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2C[C@@H]2C[C@H]3COC[C@@H]3N2C(=O)OC(C)(C)C)n1 1286470507 XSMIYISJGMUXNU-BVSLBCMMSA-N 499.616 2.094 30 10 JEEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2Cc2ccc(N(C)C)nc2)CC1 1286479769 XKMZRIFPBBLLQH-UHFFFAOYSA-N 451.525 2.412 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@H]2CCC(=O)N2)CC1 1286486935 IYTMWAOAWMYKEV-CQSZACIVSA-N 491.415 2.014 30 10 JEEE C=CCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H]1c1nncn1C 1286709196 ZBFQZVWZXPXZMI-IBGZPJMESA-N 471.587 2.411 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCOC[C@H]1C 1286749477 TUYKRHBRMDMPPV-MSOLQXFVSA-N 465.645 2.155 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCC(C(N)=O)CC1 1286792032 KMYBOLXCCHKEMC-UHFFFAOYSA-N 454.575 2.293 30 10 JEEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCC(CN(C)C(=O)OC(C)(C)C)CC1 1286792948 MZCZBXSMIVORAA-UHFFFAOYSA-N 450.584 2.200 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)c(C)c2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1286824204 XDXOHHDWBQIFLH-RTWAWAEBSA-N 487.626 2.322 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCO[C@H](c3ccccc3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1286825759 XCNQIOLFAZAPSN-XUZZJYLKSA-N 490.626 2.497 30 10 JEEE CC(=O)N1CCN(CCn2c([C@H](C)Oc3ccc(F)cc3)nnc2N(C)C[C@H](C)C#N)CC1 1286888805 GKLLZLFKHHPEAU-MSOLQXFVSA-N 457.554 2.317 30 10 JEEE C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCCS1(=O)=O 1286976508 FIYRKLOCOPJCBU-GPMSIDNRSA-N 479.628 2.042 30 10 JEEE Cc1ccc(C(=O)NCCn2c(C(=O)NC(C)C)nnc2N2CCC[C@](C)(C#N)C2)cc1F 1289453194 HQZBBWSVTRUVCU-HSZRJFAPSA-N 455.538 2.424 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@](C)(O)c1ccsc1)[C@@H]1CCS(=O)(=O)C1 1300481692 BORPQABIISJLLN-NFBKMPQASA-N 481.603 2.413 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H]1CCCS(=O)(=O)C1 1300651015 YWJIMFJHPQTPFK-IBGZPJMESA-N 473.599 2.058 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2C[C@@H](C)N(CC)CC)CC1 1300724696 BZCIHPGRBOICAK-XXBNENTESA-N 480.613 2.487 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2CC(C)(C)C(=O)NCC)CC1 1300726755 PPNLQPHKCBEMBG-UHFFFAOYSA-N 486.567 2.275 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCCN2CCOC2=O)CC1 1300732136 XTHURYWWMVQOSV-UHFFFAOYSA-N 494.596 2.282 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1300891170 JTKPRBOGOCCQLT-BKMJKUGQSA-N 496.656 2.263 30 10 JEEE C=C(C)COCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C(=O)NC)CC1 1300990640 MJUCXPSVIHVEQA-LJQANCHMSA-N 492.621 2.142 30 10 JEEE C=CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1301595362 SMZPUSPZKXZDSM-KRWDZBQOSA-N 476.990 2.422 30 10 JEEE CN(CC(=O)N1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H](c1ccco1)N(C)C 1314701147 BDPWFPSJHMOCHD-HXUWFJFHSA-N 463.542 2.008 30 10 JEEE CN(Cc1cnn(C)c1)c1nnc(COc2ccc(C#N)cc2)n1CCN1CCOCC1(C)C 1314759980 CJJZXVZGLFYGEB-UHFFFAOYSA-N 464.574 2.209 30 10 JEEE C#CCCCCn1c(N2C[C@H](C)[C@@H](N3CCCN(C(C)=O)CC3)C2)nnc1[C@]1(OCC)CCOC1 1358917371 OYLKDZFJDVTHIW-KJOQGJGQSA-N 486.661 2.113 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@H](CC)OC)[C@H]1CCS(=O)(=O)C1 1358964397 YMDBZPYDVXBLTF-HOTGVXAUSA-N 452.527 2.199 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CCc1ccncc1)[C@H]1CCS(=O)(=O)C1 1358964987 LMIQLCRZTQHFSU-SFHVURJKSA-N 471.533 2.412 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1CN(C)C(C)C 1358978798 UWDGJNBZKRULHX-JOCHJYFZSA-N 453.612 2.142 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCCOC[C@H]2CCCO2)CC1 1359028440 RYSDBYWWJVLDTF-HSZRJFAPSA-N 480.613 2.488 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(CC)cc3)n2CCS(=O)(=O)CC2CC2)CC1 1359042331 BIJNUSCODIXJAR-UHFFFAOYSA-N 483.638 2.298 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CC(C)(C)N2CCOCC2)CC1 1359045269 BJTACWBVAUESEX-UHFFFAOYSA-N 482.604 2.085 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CCC(=O)N[C@@H](C)CC)CC1 1359045446 HTUYTLJRXOVDLS-SFHVURJKSA-N 468.577 2.279 30 10 JEEE C=C(C)COCCn1c([C@H]2CCCCO2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1359133668 XGBQSYDJJZQECR-HXUWFJFHSA-N 454.579 2.353 30 10 JEEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1359227023 RELNHGPMKARNFP-JOCHJYFZSA-N 463.586 2.406 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2ccc(OC)c(OC)c2)C1 1359321391 FWBOAGIEWFFJNW-RTBURBONSA-N 476.599 2.221 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC[C@H](c2nc(C)cs2)C1 1359331431 YWFSZZYOQKQQGJ-INIZCTEOSA-N 459.601 2.485 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1359333480 ZCPLRWUXGWVONP-FGTMMUONSA-N 483.635 2.122 30 10 JEEE C=CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1359338516 YIKVURLILXZNOY-OAHLLOKOSA-N 494.419 2.428 30 10 JEEE C=C[C@@H]1OCC[C@H]1NC(=O)[C@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)[C@H](C)CC 1460071192 AKPRRAJDWUYKNI-CODKJTEISA-N 472.007 2.195 30 10 JEEE C=C[C@@H]1OCCC[C@H]1NC(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1470238181 GGCYRKLTVUXHHX-ZRNYENFQSA-N 477.606 2.297 30 10 JEEE C#C[C@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1CCN1CCN(Cc2ccccc2)CC1 1507540959 HCMUTPFDWBBNOV-QFIPXVFZSA-N 460.630 2.415 30 10 JEEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCCN(Cc2ccccc2)C1 1507642107 GTRBWRVPSYBXAM-GMAHTHKFSA-N 482.654 2.263 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2c(c1)[C@H](C)[C@H](C)O2 1507671720 OXSGPYQMGBJJHU-MSYCTHLASA-N 497.621 2.007 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@H]2CCCN2CCCO)CC1 1507734025 FUQOIGGAPAFEBK-JOCHJYFZSA-N 485.032 2.411 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2Cc2nnc(C)s2)CC1 1507740682 PDQQHBBVYAWMSQ-UHFFFAOYSA-N 465.583 2.074 30 10 JEEE C=CC1CCN(c2nnc(C(=O)NC(C)C)n2CC(=O)N2CCN(c3ccccc3)CC2)CC1 1507893968 SESURCDSNIOYTR-UHFFFAOYSA-N 465.602 2.168 30 10 JEEE C=CC[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](COC)C1)c1ccccc1 1507928113 HVJSYIURSOKEGK-NJYVYQBISA-N 460.600 2.392 30 10 JEEE C=CCCOCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(N(C)C(C)=O)CC1 1507961796 GMSAPUBZTAGENV-UHFFFAOYSA-N 489.646 2.278 30 10 JEEE CC(C)(C)OC(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ncccn2)CC1 1508665285 DNPNHCGWLPNMOL-UHFFFAOYSA-N 475.557 2.458 30 10 JEEE Cc1ccc(C)c(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CC2(CS(C)(=O)=O)CC2)c1 1510751643 GWLOIIZRIGYXHM-SFHVURJKSA-N 459.572 2.028 30 10 JEEE CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cnn(CC)c2)CC1 1513187176 GOZYVVHSNFWWEI-LJQANCHMSA-N 475.601 2.118 30 10 JEEE CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCOC[C@H](C2CCC2)C1 1516810864 BUCFYATZVYBCNL-HXUWFJFHSA-N 473.599 2.416 30 10 JEEE C#C[C@H](NC(=O)Cn1cnc2c(c(Br)nn2C)c1=O)c1ccc(Cl)cc1F 1528109936 VQMAUFBMOKPUON-LBPRGKRZSA-N 452.671 2.176 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cccc(N2CCOCC2)n1 1538977985 ZEQJZOPGBVOJPO-DVECYGJZSA-N 454.575 2.057 30 10 JEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 1539071588 CKYGZJCMHSIGSH-FPOVZHCZSA-N 475.659 2.459 30 10 JEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(CN2CCCCCC2)CC1 1539094153 LYANTIQQTUAEAI-LJQANCHMSA-N 450.653 2.394 30 10 JEEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1ncccc1N(C)C 1539190525 LKNUUGVWWJZFNU-UHFFFAOYSA-N 458.614 2.222 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1CCNc1nccc(C(F)(F)F)n1)[C@H]1CCS(=O)(=O)C1 1539219785 MRIRAQNHIFEFBQ-HNNXBMFYSA-N 485.536 2.024 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCCCN2CCOCC2)CC1 1539462306 SFVROEMGWGVWAB-UHFFFAOYSA-N 473.021 2.378 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCCCN2CCCC[C@@H]2C)CC1 1539466856 IFKUXSIKOKIQHS-FQEVSTJZSA-N 471.650 2.037 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2CC2(N(C)C)CCOCC2)CC1 1539473943 FWNUOMATZPVNEY-UHFFFAOYSA-N 450.587 2.022 30 10 JEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 1539509946 BCMMUIRISXYROF-CRAIPNDOSA-N 461.613 2.197 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCn1ccnc1C 1540128771 OYWNMUAUSJTXEE-NRFANRHFSA-N 465.583 2.450 30 10 JEEE C=CCN(CC=C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(Br)n1 1540154957 HPBUMJKIPZRWBG-ZDUSSCGKSA-N 455.382 2.273 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 1540867892 LCLNPOSRSZGRIK-UHFFFAOYSA-N 451.575 2.117 30 10 JEEE C=CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1540912786 CPAWCPIPRGELEH-MRXNPFEDSA-N 496.659 2.033 30 10 JEEE C[C@@H]1CN(CCCn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@](C)(C(N)=O)C2)C[C@@H](C)O1 1545093553 FKBYWNDWFJBTKK-QZTZHPFYSA-N 451.575 2.018 30 10 JEEE CCn1nc(-c2nnc(N(C)C[C@H](C)C#N)n2C[C@H]2CCOC[C@H]2OC)c2ccccc2c1=O 1547737214 HBDBCMBVXRXSDU-MBOZVWFJSA-N 465.558 2.322 30 10 JEEE C#C[C@H](NC(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(F)cc1)C1CCOCC1 1557578434 LOIVXWJJNHVTJL-XZOQPEGZSA-N 456.539 2.486 30 10 JEEE Cc1c(C)c(C)c(S(=O)(=O)N2CCN(S(=O)(=O)N(C)[C@H](C)CC#N)CC2)c(C)c1C 1561081482 FBSVFWVVDLVSER-CQSZACIVSA-N 456.634 2.014 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc(Cl)nc3)n2CCCS(C)(=O)=O)c1 1587689579 MAXMPNUDOUETHV-UHFFFAOYSA-N 486.985 2.484 30 10 JEEE C#CCN(c1nnc(CCCc2ccccc2)n1CC1([S@](C)=O)CCC1)[C@H]1CCS(=O)(=O)C1 1588069361 MFSUYJMPHUSACD-MNAQKMTRSA-N 488.679 2.381 30 10 JEEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(-c3ccccc3)nc3cc(F)ccc23)CC1 1588198902 BIQPVWIENCNLGG-UHFFFAOYSA-N 452.511 2.266 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(Br)c2)n1Cc1ncn(C)n1 1588200175 FUNXNDRCPDLBAS-UHFFFAOYSA-N 454.332 2.356 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2CC(=O)N(C)C2CCCCC2)CC1 1588763631 ZVIMTBKMHAQMHL-UHFFFAOYSA-N 450.587 2.500 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2OC)n1C[C@H]1CCCN1S(C)(=O)=O 1589251681 QUKAXXYRABTOGJ-WZONZLPQSA-N 473.599 2.282 30 10 JEEE C=C(C)COCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN(C(=O)NC)CC1 1593746713 LKOCQVOPQRIAFN-UHFFFAOYSA-N 491.637 2.447 30 10 JEEE C=CCC(C)(C)Cn1c(Cc2cccnc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1594511630 SFICTJCTWZFQSJ-UHFFFAOYSA-N 465.602 2.137 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](CC)N1CCc2ccccc2C1 1594963834 XXXQZEUIVCCHAL-YADHBBJMSA-N 488.658 2.070 30 10 JEEE C=CCNC(=O)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N(C)CC(C)(C)C 1595569332 FAZHZHOPTZNGSG-UHFFFAOYSA-N 453.635 2.427 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCNC(=O)c2ccc(C)c(F)c2)C1 1595664784 JTBUGWGXMLRQDD-SFHVURJKSA-N 458.538 2.075 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cnn(CC(C)C)c2C)C1 1595721427 FZUBPHUTSCKEHF-UYAOXDASSA-N 462.620 2.171 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCNC(=O)[C@H]1CC 1595765991 KJIIWNYOZPQLBV-DOTOQJQBSA-N 477.656 2.447 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCC(CN2CCOCC2)CC1 1595811858 DMEMVMIDWVKGKF-UHFFFAOYSA-N 479.672 2.080 30 10 JEEE CC[C@H](NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)[C@@H]1CN(Cc2ccccc2)CCO1 1630906131 HKQUHKSOWWGIQF-GOTSBHOMSA-N 455.580 2.269 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1CCNS(=O)(=O)Cc1ccon1 1649540005 TVCCHSGMXRNHMV-CQSZACIVSA-N 493.387 2.273 30 10 JEEE CCCCn1c(N)c(N(CC)C(=O)CN2CCC[C@@H]2[C@H](C#N)c2ccccc2)c(O)nc1=O 1653426384 BTZJHPDJDKJRLK-RTBURBONSA-N 452.559 2.456 30 10 JEEE COCCc1ccc(OC[C@H](O)CNS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)cc1 1663088806 GSRLBOYAZOHDIZ-MRXNPFEDSA-N 458.458 2.484 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCN(CC)S(C)(=O)=O 1689866425 CDASDGCTIFARFB-ROUUACIJSA-N 482.651 2.480 30 10 JEEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(Cc2ccc(OC)cc2)C(=O)C1 1689888457 JPOIIZIOQUXFBR-OAQYLSRUSA-N 464.570 2.280 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC1([S@@](C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1689979653 FQNOXFQGLWBALE-YSARJNLFSA-N 494.614 2.095 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1ccc(C)cc1OC)[C@@H]1CCS(=O)(=O)C1 1689990405 NYFJMEUIEULNAU-VQTJNVASSA-N 458.584 2.164 30 10 JEEE C#CCN(c1nnc(COCC)n1CCCn1ccc2ccccc21)[C@@H]1CCS(=O)(=O)C1 1689996283 GQFSNRLXBAVYKA-HXUWFJFHSA-N 455.584 2.486 30 10 JEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCNC(=O)c1cccc(C)c1 1690018185 XEPDZMILZJDOLQ-UHFFFAOYSA-N 482.592 2.263 30 10 JEEE C#CCN(CCOC)c1nnc(Cc2c(F)cccc2F)n1C[C@H](N1CCOCC1)C(F)(F)F 1690104938 NISPWCYMIMDSSQ-IBGZPJMESA-N 487.473 2.496 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CCc2ccc(S(C)(=O)=O)cc2)CC1 1690146069 DYSKYSVUPNPFKP-UHFFFAOYSA-N 471.627 2.089 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2Cc2cccc(CN3CCOCC3)c2)CC1 1690146393 MSKJDFGCOXQFBD-UHFFFAOYSA-N 478.641 2.323 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@H]2CCCCS2(=O)=O)CC1 1690152383 JABSWNOWMKUXQL-JOCHJYFZSA-N 499.637 2.099 30 10 JEEE C#CCSCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1690157379 FICFEEPCJJNEEF-QAPCUYQASA-N 463.991 2.389 30 10 JEEE C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1690326910 HMKWMOMGIUWFBZ-UHFFFAOYSA-N 469.981 2.350 30 10 JEEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C(=O)OC)[C@H](CNC(=O)OC(C)(C)C)C1 1690463291 YTVVUMPNJXAPFN-KURKYZTESA-N 490.605 2.336 30 10 JEEE C=CCN(CCOC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@]1(O)CCO[C@H]1C 1690620024 MQWFTUDMOVRQII-AVRWGWEMSA-N 482.585 2.415 30 10 JEEE C=CCOc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CCC(S(=O)(=O)CC)CC2)cc1 1690681664 WVMKEJMVPLUMPK-UHFFFAOYSA-N 487.626 2.417 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2nc(C3CC3)cs2)C1 1690686706 SCVXGIMHUPFDEP-ZFWWWQNUSA-N 452.606 2.052 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCN(Cc2cc(C)on2)CC1 1690717875 SRVTXQKWWOFPQB-UHFFFAOYSA-N 486.598 2.173 30 10 JEEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1690742452 RCHMJQKKZZJYED-AWEZNQCLSA-N 460.526 2.043 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc(CNC(=O)c2cccs2)n1CCS(=O)(=O)c1ccccc1 1691008117 DZLOKMSENDHGJN-INIZCTEOSA-N 472.596 2.339 30 10 JEEE Cc1nn(C)c(N2CCN(c3nnc(C)n3CCCN(C)C(=O)OC(C)(C)C)CC2)c1C#N 1693405723 DVQIPTYUMKXIDU-UHFFFAOYSA-N 457.583 2.084 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(c2ccc(OC)cc2)CC1 1705534745 QIYGDQSWIXSVLT-JOCHJYFZSA-N 487.626 2.417 30 10 JEEE C#CCN(c1nnc([C@@H](CC)c2ccccc2)n1CCCn1ccnn1)[C@@H]1CCS(=O)(=O)C1 1705561924 VVGUNBMPNABPPZ-RTWAWAEBSA-N 467.599 2.129 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(c2ccc(OC)cc2)CCC1 1705589129 NJWPODRGKZPCFJ-LJQANCHMSA-N 469.611 2.482 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2CCC2(O)CCC2)CC1 1705650845 AFEQUJJIMXKTBU-UHFFFAOYSA-N 455.534 2.267 30 10 JEEE C=C(Br)Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1705679256 HAPXSHBIUFSKMS-HIFRSBDPSA-N 453.385 2.068 30 10 JEEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)N(CC)CC)CC1 1705692470 KODXDEIVBWZYDE-IRXDYDNUSA-N 485.427 2.495 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1705699970 NNUVVQIZEVFJRN-KONPQCLYSA-N 456.513 2.283 30 10 JEEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1705811025 OSHAUPLZOHXGGD-UHFFFAOYSA-N 460.546 2.132 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCCC1 1705857042 OACLFFQNBCZDCJ-HXUWFJFHSA-N 459.616 2.477 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1705898830 YYXYVEGTNOQAIE-IQGLISFBSA-N 485.585 2.429 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1705908033 FWJXWPYWSPVDJV-SBUREZEXSA-N 473.599 2.265 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2cnn(CC)c2)C1 1705919449 DXJUUDNDPCMLSE-IBGZPJMESA-N 456.572 2.395 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1705935278 MBPZCOZPJZYSEP-UHFFFAOYSA-N 486.642 2.094 30 10 JEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](Nc2ccccc2)C1 1705937912 IKZOWRVIQIJNEE-HXUWFJFHSA-N 472.615 2.082 30 10 JEEE Cc1nc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(S(C)(=O)=O)CC2)sc1C 1706993356 GILYJFNPKSMXRG-UHFFFAOYSA-N 457.585 2.020 30 10 JEEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)N2CCC[C@@H](C)C2)C1 1710345513 FFLXNFXBYPXUQA-XQBPLPMBSA-N 485.658 2.455 30 10 JEEE CO[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1)C(C)C 1711551307 BZSIGNCVCRTPRP-ICSRJNTNSA-N 460.604 2.253 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1CCSCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1722362778 WIUMJBMRMCUBHP-CQSZACIVSA-N 461.535 2.206 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1cccc(C(F)(F)F)n1)[C@@H]1CCS(=O)(=O)C1 1722365936 GISXAELTXFSDQL-NVXWUHKLSA-N 483.516 2.261 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CCc1ccc(F)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1722367378 WAPDJXCVTJMUMU-JPYJTQIMSA-N 494.564 2.078 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1SCCc2ccccc21 1722389264 GFNYOQBITVFIIE-PXNSSMCTSA-N 457.625 2.382 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCOc2ccc(Cl)cn2)CC1 1722428843 BXEWOGGRIZJAKG-UHFFFAOYSA-N 459.982 2.079 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](C)COCc2ccccc2)CC1 1722445915 FHDVVUZHHCZHQJ-FQEVSTJZSA-N 475.597 2.497 30 10 JEEE C#CCSCCn1c(N2CCN(Cc3cc(C)no3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1722464695 PIDIMTSQVBMMND-HSZRJFAPSA-N 474.631 2.304 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)Cc1ncc(CC)s1 1722696700 CSJBZSAOHVZNBX-UHFFFAOYSA-N 478.582 2.150 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2nc3cc(OC)ccc3n2C)C1 1722709759 XOBGOZVEQHIFJH-KRWDZBQOSA-N 453.547 2.141 30 10 JEEE CCOC(C)(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCO[C@H](C#N)C1 1728727058 HFFGNFLQTUQOCO-MRXNPFEDSA-N 451.531 2.219 30 10 JEEE CN(C)C(=O)[C@@H]1CCCN1CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCSCC1 1729297541 AZIWHIQVXCAKQW-NRFANRHFSA-N 483.642 2.225 30 10 JEEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(NC(=O)C2CC2)CC1 1740591027 LQCZZYWCEDFSOJ-HXUWFJFHSA-N 486.617 2.495 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC1CCN(C(C)=O)CC1 1740630973 OLXQUMLANZYKLE-UHFFFAOYSA-N 465.554 2.302 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccc(C(F)(F)F)c2)CC1 1740701070 SYSVULKSJWNWRN-UHFFFAOYSA-N 476.503 2.449 30 10 JEEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1740721303 DYTYDYRIBMBPCK-UHFFFAOYSA-N 474.656 2.331 30 10 JEEE C#CCSCCn1c(N2C[C@H](C)O[C@]3(CCCOC3)C2)nnc1[C@]1(OCC)CCOC1 1740722011 AYAJIGINIJGRIP-BWAGFHJFSA-N 450.605 2.071 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN2CCCC[C@H]2CC)C1 1740982770 WPUXPTQYROAVFA-VAMGGRTRSA-N 451.637 2.226 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cccc2c1OCCCO2 1744096236 BEVRAVSWLGORTI-SFHVURJKSA-N 454.531 2.135 30 10 JEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(=O)c2ccc(F)cc2)CC1 1748698278 FXHGNCIVFIVHSE-KRWDZBQOSA-N 490.605 2.230 30 10 JEEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cc(F)ccc1N1CCOCC1 1748770737 DLHUYBFMWHLEOQ-DEOSSOPVSA-N 457.550 2.412 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCO[C@H]1C(=C)C)[C@H]1CCS(=O)(=O)C1 1748807638 ADMXURFKKMZGRM-JBACZVJFSA-N 485.566 2.461 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccccc2OC)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1748838734 DUWVQUCXNRNWEB-TZIWHRDSSA-N 467.595 2.231 30 10 JEEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1ccc(C(=O)N2CCCCC2)cc1 1748851566 HNNTUCKNJKYKTP-UHFFFAOYSA-N 458.566 2.148 30 10 JEEE C#CCN(CC#CC)c1nnc(Cc2csc(C)n2)n1C[C@H](C)CN1CCN(CC)CC1 1748897149 VCNDXKYBPSTLFY-HXUWFJFHSA-N 453.660 2.370 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1748999518 ZHUMUYUOLZKKLY-QFIPXVFZSA-N 450.587 2.179 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2CCCS2)CC1 1749003232 BZGFPFXXMPMFPI-CVDCTZTESA-N 461.632 2.180 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CCO[C@@H]2C(C)C)CC1 1749015794 NUJVPDZNJLFUEB-FYYLOGMGSA-N 467.618 2.167 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccccc2OC)n1CC(=O)N1CCOCC1 1749080287 KBPZMQXIEDTYLV-HSZRJFAPSA-N 455.584 2.430 30 10 JEEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(S(=O)(=O)c2ccccc2)CC1 1749413611 WXUTYLKGHOVMGE-QGZVFWFLSA-N 481.644 2.297 30 10 JEEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1749471114 JWXZASZOIFAOPG-ICSRJNTNSA-N 493.655 2.175 30 10 JEEE C=CCN(c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@]1(C)COCCO1)C1CC1 1749511084 SAOOZFHQVDQQML-QFIPXVFZSA-N 461.588 2.156 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](CNC(=O)c2ccccc2)C1 1749669547 IQHTUJDKBQHCJL-CTNGQTDRSA-N 466.586 2.121 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[C@@H](C(=O)NC)C1 1749681635 FJHSQWBLMIKRPC-OAHLLOKOSA-N 463.007 2.488 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1749737014 WEXKCRRCUHWTSP-SFHVURJKSA-N 472.590 2.411 30 10 JEEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1749741005 MVHIHKMAQCZBEL-SFHVURJKSA-N 457.604 2.146 30 10 JEEE CS(=O)(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCSC2)CC1 1750197298 DESSALIMTRXODM-QGZVFWFLSA-N 461.613 2.495 30 10 JEEE C[C@H](CC#N)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1([S@](C)=O)CCC1 1751092964 GUYQCABHJLCWMM-YPSMLTEGSA-N 453.572 2.232 30 10 JEEE Cc1csc([C@H]2CN(c3nnc(COc4ccc(C#N)cc4)n3CC(=O)N(C)C)CCO2)n1 1751740366 CYAFIARGZUVKOD-GOSISDBHSA-N 467.555 2.160 30 10 JEEE C#CCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1760155481 ZBHRGVJLPFHBRN-UGKGYDQZSA-N 466.586 2.241 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CC(C)(C)C(=O)NCC)[C@H]1CCS(=O)(=O)C1 1760184622 XGLLSARTOSCWQL-FQEVSTJZSA-N 471.627 2.297 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Cl)n1C[C@@H]1CCOC[C@H]1OC)[C@@H]1CCS(=O)(=O)C1 1760185386 WLTMVIZBEGCCJL-SQGPQFPESA-N 479.002 2.277 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H](C)N1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1760185437 XCHDYTDEWIOLNU-UXHICEINSA-N 458.632 2.031 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCOC(C)C)CC1 1760269290 DMLTXKYODAYALT-OAQYLSRUSA-N 453.543 2.181 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@H]2CCOC[C@@H]2OC)CC1 1760271122 MRRDHAZAIXCGDP-VWNXMTODSA-N 495.624 2.491 30 10 JEEE C#CCSCCn1c(N2CCO[C@@]3(CCOC3)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1760286228 FVEQXSSTMLKRSI-IXFSTUDKSA-N 477.631 2.411 30 10 JEEE C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)C[C@@H](C)C1 1760306458 HOYJFTMUYSWJBM-NFAWXSAZSA-N 462.414 2.002 30 10 JEEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)Nc2c(C)cccc2C)CC1 1760345043 CHNWGJKRHLZFFM-LJQANCHMSA-N 451.575 2.183 30 10 JEEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1nnc2n1CCCCC2 1760457052 FDCTVYOQIVRKPD-UHFFFAOYSA-N 470.603 2.184 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C1CC(C(C)(C)C)C1 1760504858 DPFHMKYZXVXQDT-DAWZGUTISA-N 455.625 2.247 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc3cccnc23)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1760553344 RZNFMIKPNRBAAY-GOSISDBHSA-N 489.623 2.108 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@@H](C)[C@@H]1CC 1760553916 LVSRKDDQNLLOJR-AEFFLSMTSA-N 480.660 2.464 30 10 JEEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](CC(C)C)N(C)C)C1 1765671678 HNWJHXLGZHCPHA-SFTDATJTSA-N 473.647 2.311 30 10 JEEE 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@]4(C)[C@H]3CC[C@@]21C 1848438861 OIUSIMZHVMRLJU-QLKSDMFOSA-N 478.582 2.186 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@@H]2c2ccc(OC)c(OC)c2)cc1OC 1862579188 MHZKDGYFCZANJQ-JOCHJYFZSA-N 484.505 2.435 30 10 JEEE CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCNC=O)ccc1O 1862610503 MZLCMPNOASDLDM-QFIPXVFZSA-N 482.489 2.277 30 10 JEEE C#CCOc1cn(CCN2C(=O)CSC2=O)c(CNc2cccc([N+](=O)[O-])c2C)cc1=O 1871009109 DKDJFFBUPIFMHQ-UHFFFAOYSA-N 456.480 2.384 30 10 JEEE C=CCn1c(C(=O)N2CCOCC2)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873560859 OYYNHJPNXVJBOA-UHFFFAOYSA-N 462.554 2.425 30 10 JEEE CCCOC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1ccc(O)c(O)c1 1874338892 APGXQVRLWCOWMW-WPZNHYQYSA-N 461.544 2.341 30 10 JEEE CN1CCN(CC#CCOC2CCN(C(=O)Cc3ccc(F)c(Br)c3)CC2)CC1 1889406632 FIIIJPMORYXCPB-UHFFFAOYSA-N 466.395 2.389 30 10 JEEE CC(C)N1C(=O)CS[C@@H](C(=O)N2CCC(N3CCN(C)C3=O)CC2)[C@H]1c1ccc(C#N)cc1 1889950229 VPELJNQEXBORNP-FGZHOGPDSA-N 469.611 2.310 30 10 JEEE COc1cc(N2CCN(C(=O)[C@H]3SCC(=O)N(C(C)C)[C@@H]3c3ccc(C#N)cc3)CC2=O)ccn1 1891391575 LMWCWJDGWPGQDU-RPWUZVMVSA-N 493.589 2.231 30 10 JEEE N#Cc1ccnc(OC[C@H]2CCCN(S(=O)(=O)c3cc4c5c(c3)CCN5C(=O)CC4)C2)c1 1891649272 BSDAMTICTFUOER-KRWDZBQOSA-N 452.536 2.268 30 10 JEEE CC(C)(C)OC(=O)N1CCN(CC(=O)N2CCC(=CB3OC(C)(C)C(C)(C)O3)CC2)C(=O)C1 2180980413 IFYHKBZMVKGIMB-UHFFFAOYSA-N 463.384 2.246 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](CC(=O)NCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)[C@@H](O)C1 2185163752 QIAQTXPANIREGG-HKUYNNGSSA-N 460.380 2.220 30 10 JEEE CC1(C)OB(c2ccc(S(=O)(=O)NCCNC(=O)OCc3ccccc3)c(F)c2)OC1(C)C 2247876830 WOILBTOYDHQGIQ-UHFFFAOYSA-N 478.351 2.330 30 10 JEEE CC(C)(C)OC(=O)NCC[S@](C)(=O)=NC(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1 2255657253 MGVTXDBSEXIUBN-HKBQPEDESA-N 453.370 2.144 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](O)CN1C(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2255880108 ZTNDWMKWHXTGFP-KBPBESRZSA-N 452.382 2.147 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)CC1 2256623053 PDIGNZAJHWTDGD-BETUJISGSA-N 452.386 2.281 30 10 JEEE Cc1csc(CNC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)O)c1B1OC(C)(C)C(C)(C)O1 2256625798 BUPMNKCDDSAJKV-CJNGLKHVSA-N 454.398 2.246 30 10 JEEE CN(C(=O)c1occc1B1OC(C)(C)C(C)(C)O1)[C@@]1(CNC(=O)OC(C)(C)C)CCOC1 2267180024 XBXWCFZEMROHIA-JOCHJYFZSA-N 450.341 2.335 30 10 JEEE COCCCCN(Cc1ccccc1)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2267364842 GEGCRPQYTBZNBY-UHFFFAOYSA-N 463.409 2.337 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2csc(B3OC(C)(C)C(C)(C)O3)c2)C[C@@H]1CCO 2267560553 FCOAVHROLFRNPX-INIZCTEOSA-N 466.409 2.491 30 10 JEEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)[C@H]2C[C@H]21 2267713357 AOOWVGXECPYXOR-SJORKVTESA-N 464.393 2.368 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](O)C[C@@H]1C(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)cs1 2268650549 JPTHAWYVVBQGPM-NVXWUHKLSA-N 466.409 2.424 30 10 JEEE Cn1nc(C(=O)N2CC[C@@H]3CCN(C(=O)OC(C)(C)C)[C@@H]3C2)cc1B1OC(C)(C)C(C)(C)O1 2281960736 DQJNBPPVCCTUGG-NVXWUHKLSA-N 460.384 2.191 30 10 JEEE CC(C)[C@@H]1[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)CCN1C(=O)OC(C)(C)C 2281969693 AQBXWHCTVZDKJM-MAUKXSAKSA-N 462.400 2.483 30 10 JEEE Cn1cc(C(=O)N(C2CCC2)C2CN(C(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2282049284 XMQRWXWPXZBFNB-UHFFFAOYSA-N 460.384 2.333 30 10 JEEE Cc1cnc(C(=O)N2CC[C@H](NC(=O)C(F)(F)F)C[C@H]2C)c(B2OC(C)(C)C(C)(C)O2)c1 2282067798 UIPOZXRISNYYND-KGLIPLIRSA-N 455.286 2.361 30 10 JEEE Cc1ccc(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 2282112323 AMLBTAYAVYZEOT-MOPGFXCFSA-N 460.380 2.394 30 10 JEEE Cc1c(B2OC(C)(C)C(C)(C)O2)cccc1C(=O)NC[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 2282119703 WEWIXSJXVIKSGS-XMMPIXPASA-N 460.380 2.396 30 10 JEEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1CCCCN(Cc2ccccc2)C1 2282184251 QCNHQAHVYJJDSY-LJQANCHMSA-N 453.396 2.146 30 10 JEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn1C 2282190501 HRQLFARYLWPNDV-SJLPKXTDSA-N 463.384 2.079 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](O)CN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1F 2282396639 CHZSQWCXXBKYSH-HZPDHXFCSA-N 464.343 2.225 30 10 JEEE COc1ccc(S(=O)(=O)NC[C@@H]2C[C@@H]2NC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2282504808 UYCBMNBJSGBEII-YOEHRIQHSA-N 482.408 2.186 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H]2CCC[C@@H]12 2282536903 IVKGFJOQEINATA-USXIJHARSA-N 460.384 2.237 30 10 JEEE Cc1c(C(=O)N2C[C@@H](C)C[C@@H](NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282592288 AXYUHAMULQBJII-GOEBONIOSA-N 462.400 2.403 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)c1 2282680849 SIPAIXBWROYXJO-XMMPIXPASA-N 460.380 2.396 30 10 JEEE CN(C[C@@H](O)COCc1ccccc1)S(=O)(=O)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2282843547 PLKSUNNLFSYSFM-JOCHJYFZSA-N 475.416 2.325 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@@H]1CCCN(Cc2ccccc2)CC1 2282848337 MKORZYXFIYKVOO-LJQANCHMSA-N 474.436 2.052 30 10 JEEE CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H]2NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2283070698 YFENGTIFXPUVES-HNNXBMFYSA-N 458.368 2.295 30 10 JEEE COC[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)N(C(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2289504857 BNOQKYVHMPYHFF-CABCVRRESA-N 481.424 2.444 30 10 JEEE COc1ccc(OC)c(C=C2Oc3cc(OCC(=O)N[C@@H](CCC(=O)O)C(=O)O)ccc3C2=O)c1 2297474141 ZWVSNZWMUSCHEU-KRWDZBQOSA-N 485.445 2.133 30 10 JEEE COCCN1C(=O)C(=O)C(=C(O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@H]1c1ccc(OC)cc1 2297741540 KTSURBTZZYBDSH-HXUWFJFHSA-N 474.535 2.014 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(=NCCn2cc(I)cn2)[nH]1 2337024483 NDSQLADYVIVQQA-UHFFFAOYSA-N 454.121 2.024 30 10 JEEE COc1ccc(NC(=O)CN(CCO)C(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2339737830 UYDABLWTIYXKQN-UHFFFAOYSA-N 450.341 2.162 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)N1CC[C@@H]2C[C@]2(B2OC(C)(C)C(C)(C)O2)C1 2357337420 VHUKPHTUCNBZKG-VVBPWWLESA-N 486.440 2.399 30 10 JEEE N#Cc1ccc(C(=O)N2CCN(c3nc4nccc(-c5ccc6c(c5)OCO6)n4n3)CC2)cc1 25144940 MKTJNKBMUTWWIS-UHFFFAOYSA-N 453.462 2.354 30 10 JEEE N#CCCN1CCN(c2ccc(NS(=O)(=O)c3ccc(F)c(F)c3)cc2C(=O)O)CC1 32961688 XCVFHKHLKGEZMH-UHFFFAOYSA-N 450.467 2.499 30 10 JEEE COCCn1cc(/C=N/Nc2nc(SCC(=O)NCCc3ccccc3Cl)n[nH]2)cn1 59886932 RAAUBDJVISCHPH-LSHDLFTRSA-N 462.967 2.198 30 10 JEEE CC1=CC(=O)/C(=C2/C=C(C(=O)Nc3ccc(S(=O)(=O)N4CCC[C@H](C)C4)cc3)NN2)C=C1 136626359 GRQMNGQXDQDJBV-JVMRMLDLSA-N 454.552 2.377 30 10 JEEE C=CCCN1C(=O)[C@H]2[C@H](C1=O)[C@](Cc1ccccc1)(C(=O)O)N[C@H]2c1ccc(C(=O)OC)cc1 247842991 OOQSMNLWXPEQAW-KKPNIWNPSA-N 462.502 2.361 30 10 JEEE O=C(N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc2c(c1)OCCO2)c1ccc2c(c1)OCO2 254678980 HCLFMJGZPOMOHH-LIRRHRJNSA-N 474.516 2.102 30 10 JEEE COc1ccc(N2NOC(=O)/C2=C\C(=NC(=O)c2ccccc2)C(=O)NN2CCCCC2)cc1 585673328 AUMXBRDXUDJILN-ZYYAGZCKSA-N 463.494 2.160 30 10 JEEE CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)N2CCN(c3ncccc3C#N)CC2)cc1 684154188 GKMISLDSRUGMIF-JOCHJYFZSA-N 481.578 2.048 30 10 JEEE COc1cc(C=NNc2nnc(SCC(=O)Nc3cccc(F)c3)n2N)cc(OC)c1OC 1083866650 VTWKHNSMZJJHOY-UHFFFAOYSA-N 475.506 2.334 30 10 JEEE COc1cc(C=NNc2nnc(SCC(=O)Nc3ccccc3Cl)n2N)cc([N+](=O)[O-])c1O 1084025321 JDDHOFQNXBJBMY-UHFFFAOYSA-N 492.905 2.445 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)(C)C)n2C[C@@H]2CC(=O)N(CCOC)C2)c1 1286310173 XHSHNWHTGJXOQN-LJQANCHMSA-N 466.586 2.127 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2CC2(O)CCN(C(C)C)CC2)c1 1286312366 UVTUNNSZNQSBME-JOCHJYFZSA-N 480.613 2.421 30 10 JEEE C#CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1286347986 RZWQMRCKNVFBKL-FQEVSTJZSA-N 499.660 2.207 30 10 JEEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H](C)N1CCN(c2ccccc2)CC1 1286400994 MHIWHAXEECCADL-KCWPFWIISA-N 476.625 2.214 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@]1(O)CCCC1(C)C 1286401945 TWNMVBARAGBSSZ-XMMPIXPASA-N 469.611 2.209 30 10 JEEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCCN(Cc2ccc(OC)cc2)C(=O)C1 1286509369 PGCJZXQYFONNFK-HXUWFJFHSA-N 469.611 2.396 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](C)(CC)C1 1286556953 SFNGVTOKCSQHCI-IWQHBPENSA-N 467.636 2.219 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)c2ccsc2)CC1 1286606248 KMARSUWVJHZCFZ-SFHVURJKSA-N 458.588 2.236 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(C)nc3ccccc23)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1286778772 ATCJULXQTKSUEL-QGZVFWFLSA-N 468.583 2.117 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCOCC2(CCC2)C1 1286781009 LXTBUIQREDJQPO-UHFFFAOYSA-N 472.977 2.171 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2CC(=O)NCCC)C1 1286806692 ZUEJUSXHIDDOCQ-HNNXBMFYSA-N 451.369 2.354 30 10 JEEE CC(=O)N1CCC(Cn2c([C@H]3COCCN3C(=O)OC(C)(C)C)nnc2N(C)C[C@@H](C)C#N)CC1 1286854965 AWKLUIXIANPEPQ-FXAWDEMLSA-N 489.621 2.441 30 10 JEEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(C)(=O)=O)C[C@H](c2ccsc2)O1 1291217604 FDRMBVAIFRKTEL-HNAYVOBHSA-N 472.596 2.394 30 10 JEEE CN(C)S(=O)(=O)c1ccccc1Cn1c(-c2cccn2C)nnc1N1CC[C@@](F)(C#N)C1 1298096450 ADXJUCBCLDFBGM-OAQYLSRUSA-N 457.535 2.024 30 10 JEEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1300409654 JERNWNKOMKNZTQ-SFHVURJKSA-N 490.534 2.370 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1CCc1csc(CC)n1)[C@@H]1CCS(=O)(=O)C1 1300487399 IYNRYJPLFTYRIM-QGZVFWFLSA-N 456.597 2.228 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCS(=O)(=O)CC1CC1 1300554667 HQNJOJWYDPZSKW-UHFFFAOYSA-N 467.595 2.435 30 10 JEEE C#CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(CC(F)F)CC1 1300762176 OUJNCUJEDILUOB-UHFFFAOYSA-N 476.601 2.206 30 10 JEEE C#CCSCCn1c(Cc2ccccc2F)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1300765746 JSSLTQGBGVOOJP-XXBNENTESA-N 484.645 2.363 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N(C)C[C@H](c1cccs1)N1CCOCC1 1301499754 FJWVWSBDNXFCOI-RTBURBONSA-N 474.631 2.046 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC(COC)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1301520488 YMAZNHXBYBMIIF-HDICACEKSA-N 462.595 2.214 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1301520749 NRKFVXCQLZOBRY-QKNQBKEWSA-N 487.649 2.081 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1CCc1cccc(C(=O)NC)c1)[C@H]1CCS(=O)(=O)C1 1358957546 VUOLTMIYLJYCCH-XLIONFOSSA-N 457.600 2.021 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1CCOCCC=C)[C@@H]1CCS(=O)(=O)C1 1358957649 XYDPZFNGNHALHM-QGZVFWFLSA-N 496.431 2.266 30 10 JEEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@H](c1ccc(C)o1)N1CCOCC1 1358985754 GRFPQHWUKZQBJH-GJZUVCINSA-N 481.597 2.368 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2Cc2cccc(C(=O)N[C@@H](C)CC)c2)CC1 1359036125 NURZRUCVDRGNAO-UGKGYDQZSA-N 450.587 2.114 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](CC)Oc2cccc(F)c2)CC1 1359046801 GKNMOZVEZFYKOP-NRFANRHFSA-N 496.587 2.363 30 10 JEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1359227732 KIADCSLFUWXWAC-FQEVSTJZSA-N 479.647 2.002 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC2(CCOCC2)C1 1359291401 OVWZJZHOXBYZRT-UHFFFAOYSA-N 452.559 2.456 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1359309732 CGBDQWWTFPXLMK-FUHWJXTLSA-N 454.531 2.119 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C(=O)OC)CC1 1359328423 CXURZQRZTJIGKW-UHFFFAOYSA-N 453.952 2.088 30 10 JEEE C=CCn1c(S)nc2cc(C(=O)N[C@@H](CC)c3cccc(S(N)(=O)=O)c3)ccc2c1=O 1447954799 XRMNCYNZBLAMPU-KRWDZBQOSA-N 458.565 2.400 30 10 JEEE N#Cc1cc(F)c(S(=O)(=O)N2CCC[C@H](NS(=O)(=O)c3cccc(F)c3)C2)c(F)c1 1463044684 BWTVSKZDTJYLLO-AWEZNQCLSA-N 459.471 2.107 30 10 JEEE CNC(=O)c1cc(Oc2ccccc2NC(=O)N(CCC#N)CCN2CCOCC2)ccn1 1465770025 FRIGLHDANQOHPE-UHFFFAOYSA-N 452.515 2.313 30 10 JEEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cc(Br)cc3c2OCC3)n1 1475260834 FLULQYRENOLLHL-UHFFFAOYSA-N 454.346 2.051 30 10 JEEE CCOC(=O)N[C@H](CC(C)C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1502511906 FJTOQGGLNQHNIM-UXHICEINSA-N 480.573 2.191 30 10 JEEE COC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)c2ccsc2)CC1)OC 1504592717 AOMCCATYEDSAPL-NRFANRHFSA-N 496.593 2.414 30 10 JEEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](c1ccc(C)cc1)N1CCCC1 1507678704 BNBYHMIJNVLXQW-TZIWHRDSSA-N 458.632 2.493 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@]1(O)CCOC1 1507699759 KNOWZJNOKDHYGQ-BJKOFHAPSA-N 458.534 2.249 30 10 JEEE C#CCN(CCOC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCC(=O)NC(C)C 1507710429 GIRPRYUFPGJULC-UHFFFAOYSA-N 476.622 2.393 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCCN(C)C)cc1 1507773558 SZXZFFZBDBHKCS-HYBUGGRVSA-N 471.627 2.161 30 10 JEEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1507965955 SRJLTXZOMZYMOV-RDPSFJRHSA-N 498.676 2.111 30 10 JEEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCS(=O)(=O)CC1CC1 1507980553 JKTJLBCFFSSGAD-QGZVFWFLSA-N 469.608 2.034 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CC[S@@](=O)CC)C1 1508120015 XLGJLPHXUOZYQN-JSRFKQPZSA-N 470.599 2.225 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCCN(C(=O)C(C)C)CC1 1508136611 VBZMQGQTRRVJRO-UHFFFAOYSA-N 481.022 2.289 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(C)CC1 1508142527 TYZHFSUCMFIVNS-UHFFFAOYSA-N 459.620 2.289 30 10 JEEE CC(=O)N1CCC(Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CCO[C@H](C#N)C2)CC1 1508205719 BJWPTDMGUKCXRK-UXHICEINSA-N 487.605 2.337 30 10 JEEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCCCCC2)C1 1516022079 CQCUFADNDGVFKH-FQEVSTJZSA-N 472.615 2.420 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC1(S(C)(=O)=O)CCC1 1538983118 NPTIZTVPLKSTAH-HNNXBMFYSA-N 462.572 2.396 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCc1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 1539215415 BMWCNCBAQGPWRD-LJQANCHMSA-N 458.975 2.201 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@H](CC(C)C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1539216044 MWXQWASAMWNIFO-UXHICEINSA-N 458.632 2.252 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCC(=O)NC(C)C 1539422437 BLSULKZEKTYVGF-SFHVURJKSA-N 462.595 2.351 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cn3cc(Cl)cc(Cl)c3n2)CC1 1539427616 FAFKKNMGLKJVFR-UHFFFAOYSA-N 475.384 2.174 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@H]2CCOC[C@@H]2OC)CC1 1539463218 XOTZSYBJXHTDPV-HKBOAZHASA-N 488.633 2.157 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(C)nc4ccccc34)n2CC(=O)NC(C)C)CC1 1539469865 VLVULRBGSHAZKJ-UHFFFAOYSA-N 473.581 2.292 30 10 JEEE C=CC[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(N)=O)CC1)c1ccccc1 1539948172 OOAMPAPVHQAFDW-WOJBJXKFSA-N 457.600 2.242 30 10 JEEE C=CCn1c(N(CCCOC)[C@@H]2CCS(=O)(=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1540860909 SCXHGJDNOOMKIN-FGTMMUONSA-N 483.635 2.265 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1540862197 VBEJIRAMLROMED-UQBPGWFLSA-N 482.585 2.224 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(C(=O)c2ccco2)CC1 1540863288 STLLGBOXSHDMCU-KRWDZBQOSA-N 482.516 2.415 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1540866996 HJBVCQJNNCYGFE-GOSISDBHSA-N 451.531 2.222 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1540872420 PBRARSPPJWPWEH-LJQANCHMSA-N 488.564 2.040 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2csc(CC)n2)C1 1540891905 BJBPJVVZCFUORD-NVXWUHKLSA-N 451.618 2.223 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](C2CC2)C1 1540906067 ZSIHSASCGCLCME-RTBURBONSA-N 495.646 2.424 30 10 JEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1540917337 STRTWJSYGQPIQI-JKSUJKDBSA-N 471.649 2.203 30 10 JEEE CC(C)(C)[S@@](=O)CCn1c(Cc2ccncc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1541234494 FNQBSUKYKHIZHF-UMSFTDKQSA-N 478.626 2.404 30 10 JEEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(N(C)C)CCSC1 1541893850 CXFYOXKVJLNLPV-JTSKRJEESA-N 492.671 2.035 30 10 JEEE COCCOCC(=O)N1CCC2(CC1)CN(c1ccc(C#N)c(C(F)(F)F)c1)C[C@@H]2C(=O)N(C)C 1548379515 UPBKOHAEKDAZMY-HXUWFJFHSA-N 496.530 2.373 30 10 JEEE C#CCC1(NC(=O)c2cc(O)nc3ccc(S(=O)(=O)N4CCOCC4)cc23)CCCCC1 1585161438 CDYNTNHGNYDDQJ-UHFFFAOYSA-N 457.552 2.417 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H](CC(C)C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1588040790 QNZOYXZBGJUWQF-YADHBBJMSA-N 468.627 2.420 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H](C)Oc2ccc(OC)cc2)CC1 1588877300 YSZIMQKYXBZQFE-JTAQYXEDSA-N 469.586 2.233 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OC)n2Cc2nccn2C(F)F)CC1 1588969128 VSYSADACIVKVPA-UHFFFAOYSA-N 499.522 2.471 30 10 JEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(O)(Cc2cccc(C)c2)CC1 1588984101 FWXSDMABYFPICA-IBGZPJMESA-N 491.683 2.137 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(Cl)c1 1589216834 YODMKWHGFVZXGR-WIYYLYMNSA-N 463.991 2.305 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccccc2CC)nnc1N1CCO[C@@H](C(=O)NC)C1 1589569906 RVOCNHJIJRLHQG-WPYKKVEZSA-N 469.586 2.352 30 10 JEEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H]2CCCCCC[C@@H]21 1594813640 VKGKMUMQVHYPSH-UFYCRDLUSA-N 467.636 2.363 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC(C)=C(Br)C2)nnc1[C@@]1(OC(C)C)CCOC1 1595602244 HOBBSOJPEVTKPE-HXUWFJFHSA-N 468.396 2.500 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCN([C@@H](C)c2cccc(OC)c2)CC1 1595789130 NKHQWMFVRFJFSC-IBGZPJMESA-N 497.625 2.228 30 10 JEEE CC(C)(Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](CC(N)=O)C1)N1CCOCC1 1597751765 GTAKZDXPBPEKMR-IBGZPJMESA-N 451.575 2.019 30 10 JEEE Cc1nn(C)c(N2CCN(c3nnc(CC(C)C)n3CC(=O)Nc3ccc(F)cc3)CC2)c1C#N 1612469701 DQSJTRGBSSVJTP-UHFFFAOYSA-N 479.564 2.495 30 10 JEEE C#CCNC(=O)CN1CCCN(C(=O)c2ccc(Nc3ccc(OC)cc3OC)cc2)CC1 1615210041 ZNNHWIXLOGRDCF-UHFFFAOYSA-N 450.539 2.345 30 10 JEEE C=CCN(C)CCN(CC)C(=O)c1cc(S(=O)(=O)N2CCN(CC)CC2)ccc1Cl 1618807875 SGGUSYFAJSBFSS-UHFFFAOYSA-N 457.040 2.246 30 10 JEEE C#CCOc1cc(F)ccc1NC(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] 1667562977 HJTIEQBCTQZFAO-UHFFFAOYSA-N 450.448 2.383 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2CC(C)(C)C(=O)NC)c1 1689868546 JSHAVFGZBZHOOD-SANMLTNESA-N 496.612 2.147 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCO[C@H]1C(C)C)[C@@H]1CCS(=O)(=O)C1 1689993980 ONBYWRQUBJZHSC-DSKINZAPSA-N 477.656 2.322 30 10 JEEE C#CCN(CC)c1nnc(Cc2csc(C)n2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1690081586 QRGPIQCFMDMKRK-HKUYNNGSSA-N 456.595 2.439 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1C[C@H](F)CN1Cc1cccs1 1690092221 AMHWOXDWANPNHN-OALUTQOASA-N 474.606 2.274 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccnc(C(F)(F)F)c2)CC1 1690132647 VEWUTICHAPJQCY-UHFFFAOYSA-N 489.527 2.487 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@]2(C)CCCS2)CC1 1690137864 KRDCJVKHAVFCRE-GOTSBHOMSA-N 461.632 2.182 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2Cc2cnn(CC)c2)CC1 1690150402 GKUUEHKTPDWIGT-UHFFFAOYSA-N 461.570 2.130 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1690245263 GHHLBBYFOKSYQL-JZXOWHBKSA-N 484.523 2.105 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C(=O)N(C)c2ccccc2)C1 1690312957 HOJJXVFKGHIMSC-UXHICEINSA-N 487.626 2.262 30 10 JEEE C=C(Cn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)NCCOC)CC1)c1ccccc1 1690321756 KIOVIMIPYSAEAZ-UHFFFAOYSA-N 466.586 2.207 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc(C(=O)N2CCCC2)n1C[C@H](C)N1CCOCC1 1690601877 DIOYHFUMIKCFSY-NRFANRHFSA-N 452.603 2.470 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC(=O)NCC(F)(F)F)C1 1690687547 DRICFUMQIUEUOQ-HNNXBMFYSA-N 469.464 2.422 30 10 JEEE CC[C@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CC(C)(C)N1CCOCC1 1694124973 BYMSAYFYTDRAPD-OALUTQOASA-N 467.622 2.279 30 10 JEEE CCNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1695911928 CDELBCIXKVEVDV-CVEARBPZSA-N 460.604 2.237 30 10 JEEE C#CCCCCn1c(COc2ccc(OC)cc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1705520873 JJAODXKEJQHNND-JOCHJYFZSA-N 467.570 2.497 30 10 JEEE C#CCCCn1c(CCc2ccc(OC)cc2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1705537219 XRVFPDPRZZDGJY-BWKNWUBXSA-N 478.641 2.474 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCN(C2CC2)C1 1705582809 KDBCKVGEJXHNPB-CTNGQTDRSA-N 468.602 2.144 30 10 JEEE C=C(C)COCCn1c(-c2ccccc2C)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1705733609 VSKHMUUHZZFZLS-UHFFFAOYSA-N 466.586 2.117 30 10 JEEE C=C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCN2CCOC[C@@H]2C)CC1 1705764767 MQEVQDHTXFNIAP-IBGZPJMESA-N 474.631 2.073 30 10 JEEE C=CCC(C)(C)Cn1c(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)nnc1[C@@]1(OCC)CCOC1 1705802790 WGGPNFGMIIFJEA-NBGIEHNGSA-N 474.650 2.275 30 10 JEEE CC(=O)N1CCN(CCn2c(-c3cccc(C#N)c3)nnc2N2C[C@@H](C)S[C@H](C)C2)CC1 1706002639 HPBWYTJCNCNBKT-QZTJIDSGSA-N 453.616 2.311 30 10 JEEE CC(C)C(=O)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCCS2(=O)=O)CC1 1706213126 DZQVJKSKVWWFMZ-NRFANRHFSA-N 484.626 2.479 30 10 JEEE C#CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1722312075 TXYYMVQBGAMCNF-KRWDZBQOSA-N 487.490 2.229 30 10 JEEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)OCc2ccccc2)CC1 1722338384 HFIPFNZNHJTQBF-UHFFFAOYSA-N 450.543 2.273 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H]1CCOC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1722361958 LBJRFVXCPYQJKS-QYZOEREBSA-N 488.610 2.262 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1ccc(N(C)C)c(F)c1)[C@H]1CCS(=O)(=O)C1 1722367137 UXAFGPGSMMGLHG-FQEVSTJZSA-N 482.585 2.144 30 10 JEEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1CCc1cccc(C)n1)[C@@H]1CCS(=O)(=O)C1 1722370250 MLGCUUFEVJEQNN-OAQYLSRUSA-N 495.605 2.439 30 10 JEEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1CCc1ccn(C)n1)[C@H]1CCS(=O)(=O)C1 1722370357 NMYMDOYQKHVVQN-IBGZPJMESA-N 489.001 2.113 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCOC1CCOCC1 1722383785 JCJOGVWZRZXPLV-OAQYLSRUSA-N 487.601 2.245 30 10 JEEE C#CCN(CC#C)c1nnc(CSc2ccc(C)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1722388438 XSIQJJYABQYOAN-LJQANCHMSA-N 457.625 2.233 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CC(C)(C)C(=O)NCC)CC1 1722435190 DBOBELXTZLKOJJ-UHFFFAOYSA-N 468.602 2.270 30 10 JEEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 1722457944 UVBDIFRSKSFOES-UHFFFAOYSA-N 452.544 2.280 30 10 JEEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1722527597 OVONJJZERSNSKM-UHFFFAOYSA-N 467.574 2.499 30 10 JEEE C=C(C)COCCn1c(-c2ccccn2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1722531984 YNMOZUCGCCIDMT-UHFFFAOYSA-N 464.574 2.313 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1722705839 ISJGWUCWOYOMMP-OSWQYVSFSA-N 469.586 2.494 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1CCN(CC(F)(F)F)CC1 1722867491 GSTWVUBHOUMUFF-ZBFHGGJFSA-N 462.542 2.050 30 10 JEEE C[C@@H]1C[C@H](CCn2c(-c3cccc(C#N)c3)nnc2N2CCCN(S(C)(=O)=O)CC2)CCO1 1726471237 GDHIBKKDCUBROM-RTBURBONSA-N 472.615 2.494 30 10 JEEE N#C[C@@H]1CN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@H]2COCCO2)CCO1 1731186248 BGFDHWOVNOODGP-CABCVRRESA-N 454.314 2.308 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CC2(CCOC)CCC2)c1 1740563879 ZUNLCETWIPIEJN-HXUWFJFHSA-N 464.570 2.492 30 10 JEEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCCN(C(C)=O)C1 1740671177 ANQFHUDXQDUWDT-WOJBJXKFSA-N 474.606 2.305 30 10 JEEE C=C(Br)Cn1c([C@H]2CCCCO2)nnc1N1CCC(C(=O)NCCOC)CC1 1740743654 AWJOUKPUHNZMEJ-MRXNPFEDSA-N 456.385 2.407 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CCCS(C)(=O)=O 1740754851 WJPTVZIODGZELE-QUCCMNQESA-N 496.655 2.201 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(N2CCN(c3ncccc3C(N)=O)CC2)nnc1C(C)(C)C 1740765993 FNQPSOKPROTWGR-IEBWSBKVSA-N 453.591 2.377 30 10 JEEE C=C(C)COCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@H](C(=O)NC)C1 1740788888 YTDPRGMHQZBSAZ-SFHVURJKSA-N 489.646 2.102 30 10 JEEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CC(=O)N2CCN(CC)CC2)CC1 1740861915 DUASWFAZGJQHHZ-NRFANRHFSA-N 471.650 2.356 30 10 JEEE C=CCCOCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1740882467 MFSZLYUKBKTGFP-UHFFFAOYSA-N 474.009 2.331 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCC(=O)N2)n1CC1(S(C)(=O)=O)CC1 1740913280 BVJSKLGENOUSHZ-GOSISDBHSA-N 459.572 2.008 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(S(C)(=O)=O)cc1 1740931715 AQKHAEZHRACURE-SFHVURJKSA-N 464.613 2.005 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC(NC(=O)c2ccsc2)CC1 1740962055 QYVFFWDEGHITGT-UHFFFAOYSA-N 465.583 2.026 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccnc3)n2Cc2ccccc2S(=O)(=O)N(C)C)C1 1740976892 QDARTDYGBDFCNE-FQEVSTJZSA-N 468.583 2.420 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)ccc2C)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1740993529 DOMXTAZNLKTMLY-RDPSFJRHSA-N 490.626 2.459 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1CC[S@@](=O)C(C)(C)C 1741912912 CHRXKZFHJITGRU-MWOWJKGTSA-N 492.671 2.476 30 10 JEEE C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCC(CC#N)CC2)n1CCNS(C)(=O)=O 1741959561 BIKPRSQIEGUYAY-OAHLLOKOSA-N 450.540 2.236 30 10 JEEE CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCCO2)CC1 1743906138 HNARMCNFSRNZMG-SIKLNZKXSA-N 465.602 2.423 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCN1CCCO[C@@H](C)C1 1748651222 JZDIDKCGGJQVCA-OALUTQOASA-N 459.616 2.307 30 10 JEEE C#CCCCCn1c(N2CCN(C(=O)c3ccccc3O)CC2)nnc1[C@@]1(OCC)CCOC1 1748729885 DUWOJQDBFJUECO-RUZDIDTESA-N 467.570 2.402 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ccc(F)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 1748811866 MSIXDPXCVNHVGG-HNNXBMFYSA-N 460.922 2.203 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1cccc(C(OC)OC)c1)[C@H]1CCS(=O)(=O)C1 1748819467 PBDGBYUCNNNKHD-QFIPXVFZSA-N 495.605 2.230 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)N1CCC(C)CC1 1749158339 HJUJPCWINBXVOR-UXHICEINSA-N 468.668 2.134 30 10 JEEE C=C(C)COCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1749229661 NPANTIVYRRRLBB-OAQYLSRUSA-N 491.614 2.244 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cc(OC)nc3ccccc23)C1 1749698289 SPGCWOSTHNFTAL-SJLPKXTDSA-N 486.598 2.275 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H](N2CCOCC2)C(F)(F)F)C1 1749708030 HGZIBXMJUKSMDD-RCCFBDPRSA-N 459.513 2.217 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H](C)C[C@@H]1CC 1749724825 NSYGVLXHUSDXCP-MJGOQNOKSA-N 495.671 2.421 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1C[C@@H]1CCC[C@@H](O)C1 1751202194 CITLYEKYFNPELP-LDQXTDLNSA-N 472.615 2.480 30 10 JEEE Cc1nn(C)c(N2CCN(c3nnc(C(C)C)n3CCCN3CCCO[C@H](C)C3)CC2)c1C#N 1751827309 ADSAYGKYXNYUPN-LJQANCHMSA-N 469.638 2.143 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1760102889 UNZUXNJPJWSDTK-RBUKOAKNSA-N 494.621 2.475 30 10 JEEE C#CCN(c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@H](F)COC)[C@H]1CCS(=O)(=O)C1 1760188454 LCOAEJDJGXOYDA-MSOLQXFVSA-N 473.530 2.211 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCCNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1760188724 LZIBCXOXHUUOCO-SFHVURJKSA-N 488.614 2.190 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1CCC1(OC)CCC1)[C@H]1CCS(=O)(=O)C1 1760189441 IRFUILQMWQAMFT-FQEVSTJZSA-N 472.611 2.463 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1760198265 CBAMUDUWBXZJQF-RTBURBONSA-N 473.002 2.271 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(O)CCCCC1 1760203647 LGNIFOCLVWWCOJ-LJQANCHMSA-N 457.575 2.355 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CC(=O)NCC2CC2)CC1 1760253838 KKGUOGSFQQVQBR-FQEVSTJZSA-N 450.587 2.316 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)CC1 1760255865 BDVLUMFHBPJBRI-CPJSRVTESA-N 490.649 2.329 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCc2ccc(OC)c(OC)c2)CC1 1760256517 HPBRJDJASRXRIW-SANMLTNESA-N 483.613 2.334 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccnc3)n2C[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 1760258508 YSAGDRGIDWKCRT-HXUWFJFHSA-N 451.575 2.495 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@H]2CCN(CC)C2)CC1 1760267222 VZVCDYDIPAVRGC-IBGZPJMESA-N 450.587 2.261 30 10 JEEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CCOC)[C@H](CC)C1 1760314399 WBGYFUKKJFKXRO-KSZLIROESA-N 472.428 2.458 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2(CCOC)CCCC2)CC1 1760389538 MRQHJKBUWHELRH-IBGZPJMESA-N 467.636 2.364 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1CCOC2(CCOCC2)C1 1760528288 YCWFDQWSYCSXRM-UHFFFAOYSA-N 473.599 2.267 30 10 JEEE CCCC(O)(CCC)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1765590522 BSUONHKBOFIAPT-LJQANCHMSA-N 470.622 2.354 30 10 JEEE N#Cc1cccc(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)Nc3ccc(C(N)=O)cc3)cc2)c1 1859002869 UHMIGHVPJNUSBT-UHFFFAOYSA-N 491.529 2.140 30 10 JEEE COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2C[C@H](C)O)cc(OC)c1O 1862633886 HYJKKVZRUBMGMI-WLRWDXFRSA-N 457.435 2.097 30 10 JEEE CC[C@@H](NC(=O)CCS(=O)(=O)c1ccc(NC(C)=O)cc1)C(=O)Nc1ccc(C#N)cc1 1866808678 ANABXPXUNNAHCS-HXUWFJFHSA-N 456.524 2.214 30 10 JEEE N#Cc1ccccc1NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)CC[C@@H]1CCS(=O)(=O)C1 1866921459 BWSJTHRAKNWMOJ-DYESRHJHSA-N 455.536 2.145 30 10 JEEE C=CCn1cc(OCC(=O)NCCCO)c(=O)cc1CNc1ccc(OC(F)(F)F)cc1 1871260631 RWNBCCAMILEFNA-UHFFFAOYSA-N 455.433 2.422 30 10 JEEE C=CCN(CC=C)c1nc(=NCc2ccccc2)[nH]c(=Nc2ccc3c(c2)C(=O)N(C)C3=O)[nH]1 1871632117 KFUORXCVSDPPMJ-UHFFFAOYSA-N 455.522 2.475 30 10 JEEE CC[C@H](C)N1C(=O)c2ccc(C(=O)NC3=C(c4nc(C)cs4)C(=O)CN3CCOC)cc2C1=O 1873710404 CNEMTHZIQKNCGS-AWEZNQCLSA-N 482.562 2.476 30 10 JEEE CC(C)N1C(=O)CS[C@@H](C(=O)N2CC(Cn3nc4c(cc3=O)CCC4)C2)[C@H]1c1ccc(C#N)cc1 1889648348 ZBKYIYIBNJNQGF-JWQCQUIFSA-N 491.617 2.156 30 10 JEEE CC(C)N1C(=O)CS[C@H](C(=O)N2CCC[C@@H](NS(=O)(=O)C3CC3)C2)[C@@H]1c1ccc(C#N)cc1 1891448332 QLDQCDMGTFLRLF-COPCDDAFSA-N 490.651 2.025 30 10 JEEE N#Cc1nccnc1OCC1CCN(C(=O)C[C@H]2CSc3nc4c(c(=O)n32)CCCC4)CC1 1891454007 YGJWZUIJXSYLLO-INIZCTEOSA-N 466.567 2.138 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C(F)(F)C1 2124540638 KAHYFGNKVXGNIH-ZDUSSCGKSA-N 454.283 2.217 30 10 JEEE CN1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2185161531 ICMYYTHFRFHKAZ-IBGZPJMESA-N 459.396 2.153 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N1C[C@H]2[C@@H](CO)N(C(=O)OC(C)(C)C)C[C@H]2C1 2227292523 BTJCJVHPUSIWEG-BRSBDYLESA-N 466.579 2.260 30 10 JEEE CC(C)(C)OC(=O)NC1(CNS(=O)(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)CC1 2255751076 UQBNWZYXKHYOJB-UHFFFAOYSA-N 452.382 2.321 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CC[S@@](=O)(=NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)C1 2255833875 IYHDNHOJBWPNBM-VEWZGRNOSA-N 471.410 2.348 30 10 JEEE CN(Cc1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C 2256623793 SQEOJIVVHLHHFV-OAHLLOKOSA-N 454.398 2.281 30 10 JEEE CN(C[C@@H]1COCCN1C(=O)OC(C)(C)C)C(=O)c1coc(B2OC(C)(C)C(C)(C)O2)c1 2267013732 OHGJMQWARCMUID-MRXNPFEDSA-N 450.341 2.287 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](OCCNC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C1 2267158038 FRYYLCCLSQBEBY-CQSZACIVSA-N 467.397 2.198 30 10 JEEE CC1(C)OB(c2ccccc2S(=O)(=O)NC2[C@@H]3CN(Cc4ccccc4)C[C@@H]23)OC1(C)C 2267376316 UDALDWDJWRHLTP-RTBURBONSA-N 454.401 2.395 30 10 JEEE CC(C)(C)OC(=O)N[C@@](C)(CO)CNC(=O)c1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2267452514 GVMKZYDGDVTIGT-JOCHJYFZSA-N 452.332 2.130 30 10 JEEE C=CC1(NS(=O)(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2267714991 QFDXALSJSONQKT-UHFFFAOYSA-N 464.393 2.440 30 10 JEEE COC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccc1OC 2268609007 WNYXTMFDRKAQAN-INIZCTEOSA-N 450.341 2.473 30 10 JEEE C[C@@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)ccc1F 2268653630 PPROFQSUGUEZNG-DYVFJYSZSA-N 452.332 2.015 30 10 JEEE C[C@@H](NC(=O)OC(C)(C)C)c1nc(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)co1 2268666373 ICVAYFHNFIHKDA-SNVBAGLBSA-N 465.341 2.085 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](C(=O)O)N(C(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)C1 2281831006 SZDLYOGYIUVAQO-CABCVRRESA-N 464.324 2.161 30 10 JEEE CN(CC1CCN(C(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)CC1)C(=O)OC(C)(C)C 2281983374 ZNQNYFCLLCCUNA-UHFFFAOYSA-N 462.400 2.438 30 10 JEEE Cc1ccnc(C(=O)N[C@@H]2COCCN(C(=O)OCc3ccccc3)C2)c1B1OC(C)(C)C(C)(C)O1 2282004903 JKAPWAIYZRZEFY-FQEVSTJZSA-N 495.385 2.457 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)n1 2282034473 IMQFXYFCLTWZLH-ZSHCYNCHSA-N 460.384 2.095 30 10 JEEE CN1CCN(C(=O)OC(C)(C)C)[C@@H](CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2282180636 VTKBLQIZHJVQCT-IBGZPJMESA-N 459.396 2.267 30 10 JEEE CC1(C)OB(c2cccnc2C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)OC1(C)C 2282181591 IDKDJOROLGXESO-FQEVSTJZSA-N 451.376 2.402 30 10 JEEE CO[C@H]1C[C@H](CNC(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)N(C(=O)OC(C)(C)C)C1 2282514208 ABISKDQANWKXOD-CVEARBPZSA-N 461.368 2.135 30 10 JEEE Cn1cc(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 2282533684 OEDCGHAUBAENCH-HNNXBMFYSA-N 462.400 2.485 30 10 JEEE Cn1cc(C(=O)N[C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]32)nc1B1OC(C)(C)C(C)(C)O1 2282546060 UJCNBITUSDLXQP-VAMGGRTRSA-N 450.392 2.360 30 10 JEEE Cc1c(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282554632 GSNCMAUNCBNPBZ-GOEBONIOSA-N 462.400 2.403 30 10 JEEE C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)CCN1C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2282577799 JZVXSAGCPCFGDY-HOTGVXAUSA-N 462.400 2.485 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2CO)c1 2282682609 QSSKPSUGBREXKD-IBGZPJMESA-N 460.380 2.348 30 10 JEEE C[C@H]1[C@@H](C)N(S(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CCN1C(=O)OC(C)(C)C 2282832665 QRGFUYNPCNZGEX-JKSUJKDBSA-N 481.424 2.399 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C2(CC2)C1 2283069276 OQEPSRBRQQUYEQ-OAHLLOKOSA-N 458.368 2.295 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](CNC(=O)c3nccnc3B3OC(C)(C)C(C)(C)O3)C[C@H]21 2283071239 CEIOUFAJYSEGDI-ARFHVFGLSA-N 458.368 2.151 30 10 JEEE CC(C)(C)OC(=O)NCCOCCOCCC(=O)N1C[C@H]2[C@H](B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2283452075 CUWCJWFCOBKSND-DZFIZOCASA-N 468.400 2.485 30 10 JEEE C[C@@H](c1cscc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)[C@@H](CC(N)=O)NC(=O)OC(C)(C)C 2283934164 WPSKVXYSEDVILD-XJKSGUPXSA-N 481.424 2.335 30 10 JEEE CC(C)(C)OC(=O)N[C@H](C(=O)N1CCc2ccc(B3OC(C)(C)C(C)(C)O3)cc21)C1COC1 2284018736 WKBQLDVECHXEAI-IBGZPJMESA-N 458.364 2.415 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H](C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)CO1 2284069149 MSZGBQSLRBDUDG-CABCVRRESA-N 481.424 2.378 30 10 JEEE C=CCN(CC=C)c1nc(NC(=O)C=Cc2cc(OC)ccc2OC)n([C@H]2CCS(=O)(=O)C2)n1 2331675335 IZCPITRCBSXSIW-SFHVURJKSA-N 487.582 2.485 30 10 JEEE C#CCCN(CC(=O)O)C(=O)c1cc(I)cc(I)c1O 2361656898 MYUCHIRIEUIPEW-UHFFFAOYSA-N 499.042 2.152 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2CC[C@]2(CNC(=O)OC(C)(C)C)C1 2362347781 JSPYBPJIPNSSJS-WNSKOXEYSA-N 460.384 2.096 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2[C@H]3CCCN(C(=O)OC(C)(C)C)[C@H]32)n1C 2362478347 KRQUAZPLRXGDST-BZUAXINKSA-N 460.384 2.155 30 10 JEEE Cc1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)cc1NC(=O)C(CO)(CO)NC(=O)OC(C)(C)C 2370319468 FTYUTVVEEQNERQ-UHFFFAOYSA-N 484.786 2.134 30 10 JEEE CC(C)(C)OC(=O)NCCN1CCC(C(=O)O)(N2CCN(Cc3ccccc3)[C@H](C#N)C2)CC1 2378980969 NWTMZDXAQDKECY-OAQYLSRUSA-N 471.602 2.140 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)Nc1n[nH]cc1CNC(=O)OC(C)(C)C 2380495173 CIDSWTGBTDRIFZ-UHFFFAOYSA-N 460.344 2.202 30 10 JEEE CC(C)(C)OC(=O)NCc1c[nH][nH]c1=NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1O 2380499086 LAAGKCGDOSFZAC-UHFFFAOYSA-N 458.324 2.113 30 10 JEEE COc1ccc(CNC(=O)CSc2nnc(N/N=C/c3cc(Cl)ccc3O)n2N)cc1 21320142 LZDSMRGRGWVONB-AUEPDCJTSA-N 461.935 2.214 30 10 JEEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)CC1 512709676 DHVKWJGVHAYXPI-SFHVURJKSA-N 453.370 2.044 30 10 JEEE C#C[C@@]1(O)CCN(C(=O)[C@@H](CCC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)C1 757470823 WHYZJVQSEKFERX-ATIYNZHBSA-N 462.502 2.355 30 10 JEEE CC1CCC(C#N)(N(C)C(=O)[C@@H](C)OC(=O)C2=NN(c3ccc(F)cc3)[C@H](C(N)=O)C2)CC1 913202702 AIVKSSSUZHJJPL-XSXHCMLVSA-N 457.506 2.108 30 10 JEEE COC(=O)c1ccc(C=NNc2nnc(SCC(=O)Nc3ccc(OC)cc3C)n2N)cc1 1084055013 SCCZUNXLWLIXIU-UHFFFAOYSA-N 469.527 2.272 30 10 JEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](O)(Cc2cccc(Cl)c2)C1 1286340904 AFPADHBMHNXIGB-IIBYNOLFSA-N 466.007 2.139 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCN1C[C@H](C)O[C@@H](C)C1 1286425913 BURYEYUIZHPCDX-SFTDATJTSA-N 487.608 2.154 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CCCn2nc(C)cc2C)CC1 1286491352 OCKPVFVQCBIZMY-UHFFFAOYSA-N 460.586 2.133 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(CC(F)(F)F)CC1 1286554314 HAEBLXMWNSQXPR-NUJGCVRESA-N 456.513 2.285 30 10 JEEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC2(CC1)OC(=O)NC21CCC1 1286668754 UQBKYFOWCSLHMA-INIZCTEOSA-N 480.635 2.492 30 10 JEEE C=CCCCn1c([C@H]2CCCCO2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1286699061 NPHHWUZEHCQDCG-GOSISDBHSA-N 450.565 2.126 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1286778888 BLXQJBHQBNLTGE-PXNSSMCTSA-N 490.555 2.396 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[C@@](C)(C#N)C1 1286780324 STPDALJFOILPPV-QHCPKHFHSA-N 454.531 2.403 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C)c(Br)c2)nnc1N(C)C[C@@H](C)C(=O)NC 1286783635 XJKBRRWAJVOSDY-CQSZACIVSA-N 463.380 2.137 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1286819151 BSJJFTKQOCNKAO-INIZCTEOSA-N 453.609 2.450 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCCc2ccccc2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1286821866 CJPQDNSZVJFYKO-YKSBVNFPSA-N 474.627 2.438 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCNC(=O)c1cccs1 1286964680 CWZSRKVDYCPKIA-HNNXBMFYSA-N 476.566 2.279 30 10 JEEE C[C@H](C#N)CN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCNC(=O)c1cccs1 1286964682 CWZSRKVDYCPKIA-OAHLLOKOSA-N 476.566 2.279 30 10 JEEE CCN(CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](C(=O)NC)C1)CCC(F)(F)F 1295826864 DNLYFOKAOHUNAX-SFHVURJKSA-N 479.507 2.042 30 10 JEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ncn(-c2ccccc2)n1 1300464772 IBJGEIYXEUSJJR-LJQANCHMSA-N 478.557 2.285 30 10 JEEE C#CCN(c1nnc(C(C)C)n1Cc1cccc(Cn2ccnc2)c1)[C@H]1CCS(=O)(=O)C1 1300485049 TZVSZWYQZXZDKH-NRFANRHFSA-N 452.584 2.321 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1ccc(COCC)cc1)[C@@H]1CCS(=O)(=O)C1 1300487055 FAJJEGGWZWJDMJ-HXUWFJFHSA-N 453.568 2.485 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1Cc1ccc([C@H](C)O)cc1)[C@@H]1CCS(=O)(=O)C1 1300502750 WQWWMSUCCDMJOL-HRAATJIYSA-N 485.635 2.362 30 10 JEEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cccc(CS(C)(=O)=O)c1 1300559606 VESJZQNHEKXHKQ-VWLOTQADSA-N 484.622 2.375 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCN1CCCCCC1=O 1300606503 MMHHNORGVNPDPB-UHFFFAOYSA-N 486.642 2.448 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H](C(C)C)N2CCCC2)CC1 1300708686 XVGHMQPSCONJGV-HXUWFJFHSA-N 469.659 2.145 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2CCc2cnc3c(Cl)cnn3c2)CC1 1300711438 BSLCOZNPLBHHBU-UHFFFAOYSA-N 454.966 2.306 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@@](C)(O)c2ccsc2)CC1 1300725685 BUEXUWMMFPSPRJ-XMMPIXPASA-N 464.595 2.199 30 10 JEEE C=C(Br)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1300823290 BKFNHZVQQNZHPP-ZIAGYGMSSA-N 460.336 2.081 30 10 JEEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1CCc2ccccc21 1300990881 NEQHHMGXQPWBKC-NHCUHLMSSA-N 475.615 2.327 30 10 JEEE C=CCN(CC=C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCC1(O)CCOCC1 1301380954 PYBRJKLAEFFQEB-UHFFFAOYSA-N 460.604 2.348 30 10 JEEE C=CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 1301449918 JIMDMEGPTZKJSF-SFHVURJKSA-N 472.615 2.500 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(c2cc(C)nc(C(C)C)n2)CC1 1301496935 KJEKVWWCKKRYMP-UHFFFAOYSA-N 475.601 2.499 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1301497427 WKDMHDKAUZTQJH-UHFFFAOYSA-N 491.600 2.063 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1301514194 GJNMMQBMKVTDCC-LJQANCHMSA-N 481.601 2.013 30 10 JEEE CC(C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1)N1CCOCC1 1302512006 ANJYLRNLVVBGRU-VXKWHMMOSA-N 486.642 2.187 30 10 JEEE C#Cc1cccc(NC(=O)CNS(=O)(=O)c2cc(OC)c(Br)cc2OC)c1 1309081770 RWXFRDNAMYAFFV-UHFFFAOYSA-N 453.314 2.365 30 10 JEEE CCOCc1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1CCNC(=O)C(C)C 1314388726 BVEDPYTVZUAQHO-UHFFFAOYSA-N 459.982 2.438 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OC)c(OC(F)F)c1 1358871756 JZHLFWHCWFMADU-QWHCGFSZSA-N 457.503 2.005 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc(Cl)nc3)n2CCS(C)(=O)=O)c1 1358901471 LVQYNMMORPRJSL-UHFFFAOYSA-N 472.958 2.094 30 10 JEEE C#CCCCn1c(-c2cccc(OC)c2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1358922616 LEAHVQCBGWOBOE-XXBNENTESA-N 450.587 2.356 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@H]1C[C@H](C)O[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1358962759 WFQGHXSORPFCAZ-YRPNKDGESA-N 457.600 2.479 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1cc(C)no1)[C@H]1CCS(=O)(=O)C1 1358967349 IYFFUSIFFBEUGX-QXAKKESOSA-N 461.588 2.168 30 10 JEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(C[S@@](C)=O)cc1 1359023146 BFIOVMXPMVCOMV-MGBGTMOVSA-N 469.567 2.019 30 10 JEEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2CC2(N(C)C)CCOCC2)CC1 1359038966 RNBZMYZDUGJRME-UHFFFAOYSA-N 466.630 2.340 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3c[nH]c4ccccc34)n2CCNC(=O)C(C)C)CC1 1359044028 SACBLEURNAKAKA-UHFFFAOYSA-N 461.570 2.164 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCS(=O)(=O)CC 1359074807 RVLKHBUOOAIHQA-HYFFOGBASA-N 465.620 2.476 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(N(C)C(C)=O)CC1 1359335999 AVBHXFIKLASEQA-WOJBJXKFSA-N 481.663 2.245 30 10 JEEE N#CC1(C(=O)N2CCN(CCS(=O)(=O)c3ccc(Br)cc3)CC2)CCCC1 1435189910 ICVCLEXSDGCIEE-UHFFFAOYSA-N 454.390 2.451 30 10 JEEE C#Cc1cccc(NC(=O)NC(=O)CN(C)[C@@H]2CCN(c3cc(OC)cc(OC)c3)C2=O)c1 1473259070 DEZKBNBGVHLDRX-OAQYLSRUSA-N 450.495 2.071 30 10 JEEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 1507551122 AUZTUFMVMXMZSF-SFHVURJKSA-N 453.543 2.388 30 10 JEEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(COCC(F)(F)F)c1 1507617323 SZSQSJGENJZIPD-QGZVFWFLSA-N 456.490 2.377 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCN1CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1507632881 BFFFZESGABTZCX-UGKGYDQZSA-N 473.618 2.367 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1CCc1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1507633456 DYHJQTLBOWFLBG-FQEVSTJZSA-N 483.594 2.352 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCOCC(F)F 1507666814 GLSDEQLDCVXNPM-UHFFFAOYSA-N 454.481 2.327 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCN(CCc2ccccc2)C1 1507668771 CQLSQGZKIJZMFY-RPWUZVMVSA-N 479.650 2.208 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN(CCC)C(=O)OC(C)(C)C 1507672404 ZYAIXODWCATYIG-LJQANCHMSA-N 477.631 2.290 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2CCNC(=O)c2cccs2)CC1 1507736678 PPEPQGQYKIDIPX-UHFFFAOYSA-N 492.605 2.411 30 10 JEEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1507748283 JSXUASHXLANOKJ-LJQANCHMSA-N 452.005 2.375 30 10 JEEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1507830755 WYUCNULXNCDEAI-PMACEKPBSA-N 476.622 2.321 30 10 JEEE C=CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1508055438 ZQMSFLGAEZELQO-SFHVURJKSA-N 455.588 2.425 30 10 JEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)C[C@H]1c1cccc(OC)c1 1508059282 RWVNQQMCNGRQDB-VDGAXYAQSA-N 461.588 2.393 30 10 JEEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCS[C@@H](C(C)C)C1 1508071396 BLHGOWKJIZUIDV-QGZVFWFLSA-N 491.687 2.427 30 10 JEEE CO[C@@H]1COCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1518645327 GFXGXJUDVYMNJQ-DAVFGYKESA-N 498.628 2.326 30 10 JEEE C#CCN(c1nnc(C2CC2)n1Cc1ccnc(OCC(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 1539217006 ZDDJGUNZIOKNHI-INIZCTEOSA-N 469.489 2.167 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1cccc(C(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 1539222288 VCROMMCFXOXGGA-AEFFLSMTSA-N 468.501 2.476 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1Cc1cccnc1OC)[C@H]1CCS(=O)(=O)C1 1539231384 VDUDXWFDYVQDQF-SFHVURJKSA-N 485.541 2.075 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2csc(C)n2)n1C[C@@]1(O)CCN(C)C1 1539392505 SJUMPADCELYMEO-HSZRJFAPSA-N 454.575 2.479 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCCN2C[C@@H](C)C[C@H](C)C2)CC1 1539431521 UXULWCYDKWMCNF-HWBMXIPRSA-N 458.651 2.053 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H](C(=O)NCCC)C1 1539647049 VCLKBXBWBPSNGB-DXIQSLLYSA-N 458.607 2.124 30 10 JEEE C=C[C@@H](CC)CC(=O)N(C)CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 1540682447 KJXNHOFVTRCESM-HNNXBMFYSA-N 457.980 2.360 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC(CC(=O)N(C)C)CC1 1540862343 ZPWDGLPDTZXTJU-UHFFFAOYSA-N 481.601 2.144 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1540874681 OGYKMVHUDYZZKE-IBGZPJMESA-N 476.541 2.182 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2(CC(C)C)CC2)C1 1540892049 DTXWSLAFPDJXDH-OALUTQOASA-N 467.636 2.219 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCN(c2cc(C)ccc2C)CC1 1540901580 INCHETXWNAVFET-UHFFFAOYSA-N 467.599 2.279 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1CC(=O)N(C)C1CCCCC1 1541674494 CAQGWNYNWOYTPY-UHFFFAOYSA-N 492.628 2.406 30 10 JEEE Cc1cccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCNS(=O)(=O)c2ccccc2)n1 1542615849 HGSVYHXNNRYTGL-OAQYLSRUSA-N 455.519 2.069 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1CCc2ccccc2C1 1587641192 YMRCFKRVXHUUFJ-GHTZIAJQSA-N 455.628 2.475 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccc(OC(F)F)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1588055020 ROBFTJHGLXCEAX-JKSUJKDBSA-N 484.500 2.198 30 10 JEEE C#CCN(c1nnc(COCC)n1C[C@@H](C)Oc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1588074231 LHABQRZNISIHDW-AEFFLSMTSA-N 450.536 2.048 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1C[C@@H](C)N1CCN(c2ccccc2)CC1 1588174420 WKWMXMDOKHWFRG-JOCHJYFZSA-N 461.614 2.090 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(NC(=O)c2ccco2)cc1 1588180123 BLGORKCSKYMIJU-SFHVURJKSA-N 494.577 2.245 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCCc2c[nH]c3ccccc23)CC1 1588885708 YLHULRBKUIZPMP-UHFFFAOYSA-N 475.597 2.496 30 10 JEEE C#CCSCCn1c(COc2cc(C)ccc2C)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1589110570 WOFZJLANEPJMJW-UHFFFAOYSA-N 498.653 2.014 30 10 JEEE C#CCSCCn1c(N2CCN(C(=O)COC)CC2)nnc1C1(c2ccccc2)CCC1 1589126282 ZNSWPFPKWFYQQA-UHFFFAOYSA-N 453.612 2.410 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[C@@H]1c1cnn(C)c1 1595496623 BHNRMNSZENEUPW-GOSISDBHSA-N 481.557 2.348 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1595556349 SMIWVHYKPFQDMA-UHFFFAOYSA-N 458.538 2.367 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1595699649 GHWYPQLNMMOLHB-PXNSSMCTSA-N 461.588 2.017 30 10 JEEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccsc1 1595883738 AHLPMJKBWLQKDQ-MRXNPFEDSA-N 457.647 2.228 30 10 JEEE N#Cc1cccc(NC(=O)N[C@@H]2[C@H]3CO[C@@H](O3)[C@@H](N3CCC(Cc4ccccc4)CC3)[C@H]2O)c1 1616151464 BXTVZBSJMZAZID-VAFBSOEGSA-N 462.550 2.488 30 10 JEEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](c2ccc(C)cc2)[C@@H](C)S(C)(=O)=O)cc1 1634241691 IKUTYZZBOCZTOI-OXQOHEQNSA-N 450.582 2.364 30 10 JEEE C=C(C)C[C@H](NS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1)C(=O)OC 1656406672 XLQZKXQDFKTZPO-FCEWJHQRSA-N 458.602 2.139 30 10 JEEE C=CCCC[C@H](NS(=O)(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C)C(=O)OC 1656974047 SHUYDMYKQWHRAF-SFHVURJKSA-N 458.602 2.346 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@H](C)c1ncc(C)s1)[C@@H]1CCS(=O)(=O)C1 1689986266 MBKVMDDSXIEKPU-DOTOQJQBSA-N 458.613 2.479 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2C[C@H](N2CCOCC2)C(F)(F)F)CC1 1690136296 CSQURZUUEBLGHO-AEFFLSMTSA-N 470.540 2.021 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2C[C@]2(O)CCC[C@H]2C)CC1 1690148635 NRIFPOOSNAIAKF-NIYFSFCBSA-N 465.598 2.394 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2CCCN2CCCC2)CC1 1690148733 RNMFYYGCZLVMQN-UHFFFAOYSA-N 452.578 2.460 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2C[C@@H](CC)NC(=O)OC(C)(C)C)CC1 1690150799 VSCYBBNKXFVHHZ-LJQANCHMSA-N 458.607 2.500 30 10 JEEE C=C(Br)Cn1c(Cc2cccnc2)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1690230365 AGINMCJFZVPXEX-KRWDZBQOSA-N 484.420 2.203 30 10 JEEE C=CCCCCn1c([C@H]2CCCOC2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1690462952 RVAMBGJJFLIQHW-IBGZPJMESA-N 477.635 2.081 30 10 JEEE C=CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1690480897 QSUUPSBCJVPAOY-INIZCTEOSA-N 466.633 2.218 30 10 JEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(OC)CCCCC1)C1CC1 1690545472 SCAOUORBEXQLGW-GOSISDBHSA-N 453.609 2.115 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1690663898 HSZLSLMOQRYJJK-VQIMIIECSA-N 474.993 2.066 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1690667342 ZTSRUVVQHLPXGJ-HXUWFJFHSA-N 494.415 2.025 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCN(C(=O)NC)CC1 1690717496 HWQRBIFBGQCPPQ-MRXNPFEDSA-N 492.671 2.194 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1(S(C)(=O)=O)CCC1 1690993062 DNWKUHACZSMTKU-HNNXBMFYSA-N 479.006 2.425 30 10 JEEE CC[C@H](C)NC(=O)c1cccc(Cn2c(Cn3nc(C)cc3C)nnc2N2CCO[C@@H](C#N)C2)c1 1694263151 DGDIZUOHFCBYAS-JTSKRJEESA-N 476.585 2.445 30 10 JEEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCOc2ccc(F)c(Cl)c2)C1 1698483614 GQYYWXJTPUWBCV-ORAYPTAESA-N 471.917 2.494 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1CC1(CS(C)(=O)=O)CC1 1705480172 PIHXCQXUYIPTQO-CYBMUJFWSA-N 454.394 2.329 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2CCCN2CCCO[C@H](C)C2)c1 1705506764 HYFUSPYKFSJDCO-IRLDBZIGSA-N 480.613 2.339 30 10 JEEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1705539989 JQMLYOFWJOVSOC-CEWLAPEOSA-N 456.635 2.399 30 10 JEEE C#CCN(c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCS(=O)(=O)CC)[C@H]1CCS(=O)(=O)C1 1705562645 HEIFEFNOGRMGME-FQEVSTJZSA-N 492.667 2.304 30 10 JEEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1C[C@@H]1CCOC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1705567918 CPTJXEDAQJYOFD-UFYCRDLUSA-N 488.610 2.165 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1705576536 NBRMKZKZFGLMDT-RDPSFJRHSA-N 468.579 2.150 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1Cc1nnnn1CC1CC1 1705589023 ITOIFQZVNAPAIS-UHFFFAOYSA-N 457.542 2.055 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(Br)s1 1705628295 CFOUXCRKZRCZNT-AWEZNQCLSA-N 487.445 2.333 30 10 JEEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2C[C@H](C)CN2CCN(CC)CC2)CC1 1705642243 MJXCWSMXBUNTJM-XMMPIXPASA-N 479.673 2.194 30 10 JEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(O)(Cc2ccccc2F)CC1 1705659274 QENIPTRGVGSGCW-LJQANCHMSA-N 457.575 2.309 30 10 JEEE C=C(C)COCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1705730088 CHCDWCPEBMDNDK-GOSISDBHSA-N 486.573 2.120 30 10 JEEE C=C(C)COCCn1c(C2CCCC2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1705735568 UADHKKSMYVPGEF-UHFFFAOYSA-N 477.635 2.081 30 10 JEEE C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](c2cnn(C)c2)C1)c1ccccc1 1705741139 HBQOYYCFWHOUCX-PKOBYXMFSA-N 455.588 2.329 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)OCC(C)C)CC1 1705905312 QZXLNNQKIPTRDZ-UHFFFAOYSA-N 458.538 2.225 30 10 JEEE CC[C@H](C)NC(=O)CCn1c(-c2cnccn2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1708624107 IEVNYKAWQGVIIO-KRWDZBQOSA-N 477.548 2.377 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CCCN1CC)[C@H]1CCS(=O)(=O)C1 1722371719 XTFCPYVQVOVETQ-PLACYPQZSA-N 477.675 2.308 30 10 JEEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCN(C2Cc3ccccc3C2)CC1 1722527593 OQZYHZGYTZHPMO-UHFFFAOYSA-N 452.603 2.298 30 10 JEEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1722528804 PGLPKPJNKMEHFW-UHFFFAOYSA-N 454.984 2.058 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(C2CCOCC2)CC1 1722705643 GAJXCTYMTBDPKV-UHFFFAOYSA-N 468.602 2.077 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2OCC)nnc1N1CCN(C(C)(C)C)CC1 1722706197 NEEPXEZAUUYNCU-UHFFFAOYSA-N 456.591 2.479 30 10 JEEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCS[C@H](C)[C@H]1C 1722730014 FOSNENSFJSORGA-HUUCEWRRSA-N 469.658 2.201 30 10 JEEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCN(c2ccccc2F)C[C@H]1C 1722731050 BXXUIZXHBNIAJM-QGZVFWFLSA-N 451.568 2.270 30 10 JEEE CC(C)[C@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)C[C@@H](C)C#N)N1CCOCC1 1722862125 GSSYLPCQPCDRSB-RXVVDRJESA-N 474.631 2.301 30 10 JEEE C[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](CN2CCOCC2)C1)N(C)C 1723855133 BGTGFWKZUGRJMU-UNMCSNQZSA-N 467.618 2.227 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1CCC(=O)NC(C)(C)C 1723924633 GWWVUTDIBALFNU-INIZCTEOSA-N 487.630 2.234 30 10 JEEE Cc1cc(C)n(Cc2nnc(N3CCC(Oc4cccc(C#N)c4)CC3)n2CC(=O)NCC(F)F)n1 1726061159 DWVRYDJCIMYVQS-UHFFFAOYSA-N 498.538 2.441 30 10 JEEE CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCN(C(C)=O)C1)[C@H]1CCS(=O)(=O)C1 1728293037 DUHUKWKNRTZUNU-FPOVZHCZSA-N 470.599 2.089 30 10 JEEE CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCN(C(C)=O)C1)[C@@H]1CCS(=O)(=O)C1 1728293041 DUHUKWKNRTZUNU-TZIWHRDSSA-N 470.599 2.089 30 10 JEEE C#CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)Cc1ncnn1CC(F)F 1740571376 MZWFEMVLUQKZPP-UHFFFAOYSA-N 481.511 2.489 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H](C)N1CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1740622070 SYHNEMDEFNDNDQ-UFYCRDLUSA-N 456.616 2.087 30 10 JEEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2C[C@]2(O)CCOC2)CC1 1740699809 UVOXAFPDUZTQQH-RUZDIDTESA-N 453.587 2.196 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2cc(F)cc(OC)c2)CC1 1740703640 ZKLCHBOFAITKSC-AREMUKBSSA-N 499.587 2.481 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2Cc2cc(OC)c(OC)c(OC)c2)CC1 1740705623 JTPTYNQLSLNYEC-FQEVSTJZSA-N 497.596 2.212 30 10 JEEE C#CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1740713909 NLFNVJWCMIOSRJ-IEBWSBKVSA-N 485.610 2.408 30 10 JEEE C=CC[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1)c1ccccc1 1740855317 UURLSNBDLDVFBZ-LEWJYISDSA-N 486.642 2.392 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCC(NC(=O)c2ccsc2)CC1 1740959232 OHUWNRBEOGWOFN-UHFFFAOYSA-N 465.583 2.411 30 10 JEEE C=CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1741001102 KYBOSDZIZPHCSS-HNNXBMFYSA-N 489.627 2.031 30 10 JEEE CCCOc1ccc(-c2nnc(N3CCC(C#N)CC3)n2C[C@@]2(O)CCS(=O)(=O)C2)cc1OC 1745804937 FOPACPOZIQZPPT-QHCPKHFHSA-N 489.598 2.032 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1CC1([S@@](C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1748810481 WZGBJFJQYLJWGR-AZYRPFHASA-N 497.042 2.145 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CC1(OC)CCCCC1)[C@H]1CCS(=O)(=O)C1 1748815977 VCCKXRGMNOBMOV-RBUKOAKNSA-N 450.605 2.496 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccco1)N1CCCCC1 1748962431 HTPZUQNLOLOQOP-UXHICEINSA-N 475.615 2.086 30 10 JEEE C=C(Br)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](C(N)=O)C1 1749103783 CWXDEFCHPWGOJU-CABCVRRESA-N 499.410 2.197 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC(C)(OC)C1 1749120928 JBVMYWMBNDZCMO-UYAOXDASSA-N 475.615 2.402 30 10 JEEE C=C(C)COCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@]2(CCOC2)C1 1749210600 JRNZUHYCMNTUSO-HSZRJFAPSA-N 475.977 2.450 30 10 JEEE C=C(Cl)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC(OCC(N)=O)CC1 1749253769 WLJTYTCBIFTPAT-UHFFFAOYSA-N 457.760 2.269 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1749671898 NBBDXVDMGYOACZ-IBGZPJMESA-N 456.566 2.441 30 10 JEEE CC(C)(C)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)C2CC2)CC1 1750483744 FPWRDILSKYSMGX-UHFFFAOYSA-N 451.575 2.175 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1CCC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1760185396 WRNXAIHUSBYVDK-IBGZPJMESA-N 488.610 2.406 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1CCc1nnc(C)s1)[C@H]1CCS(=O)(=O)C1 1760186596 OZQJZICWBTUPAY-IBGZPJMESA-N 470.624 2.207 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1(C(N)=O)CCCC1 1760212520 WPLXOSJHPXKNMK-UHFFFAOYSA-N 481.626 2.055 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(C)(C)N2C[C@H](C)O[C@H](C)C2)CC1 1760255241 FKJSLXJHSZNVCH-BGYRXZFFSA-N 481.601 2.496 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2Cc2snnc2C)CC1 1760267278 XYQNWVMGCRLXQV-UHFFFAOYSA-N 451.556 2.128 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@H](C(N)=O)C1 1760313147 KCVBBZIZRGTEKM-LNLFQRSKSA-N 472.977 2.154 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)NC)CC1 1760326341 WDVOMKRXARMOMX-SIKLNZKXSA-N 465.558 2.171 30 10 JEEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CCNC(C)=O)Cc1ccc(C)s1 1760346416 XZCKAXJXNDTGPF-KRWDZBQOSA-N 451.618 2.269 30 10 JEEE C=C(C)Cn1c(N2CCC3(CC2)NC(=O)N(C)C3=O)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1760349621 SOTMKRMRXZXVRZ-IYBDPMFKSA-N 473.578 2.146 30 10 JEEE C=C(C)COCCn1c([C@H](C)CC)nnc1N1CCN(c2cc(N3CCOCC3)ncn2)CC1 1760352823 YYKCAFTWNMIOBU-HXUWFJFHSA-N 470.622 2.338 30 10 JEEE C=CCCCCn1c(-c2cnccn2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1760426090 FTOPJFPXJUWVIH-UHFFFAOYSA-N 474.616 2.367 30 10 JEEE C=CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1760458431 GIQRRJWLELHOKB-QZTJIDSGSA-N 451.579 2.431 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](Oc2ccccc2Cl)C1 1760514693 LDNWMMCMEATUTK-MRXNPFEDSA-N 458.950 2.127 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C2CCC1(C)CC2 1760522657 YJWKIOIMOOWRSG-BNGSBABLSA-N 460.579 2.410 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1760548995 UPOJEIAFLAIISV-JENIJYKNSA-N 491.589 2.215 30 10 JEEE CCO[C@]1(c2nnc(N(C)[C@@H](C)CC#N)n2C[C@@H]2C[C@H](F)CN2Cc2nccn2C)CCOC1 1765808776 DQHFQSHXKADHRA-KEXUJGGDSA-N 474.585 2.015 30 10 JEEE COc1cc(OC)c(CCn2c(-c3cccn3C)nnc2N2CCO[C@H](C#N)C2)c(OC)c1 1769896357 AICHIFKXVHECGZ-QGZVFWFLSA-N 452.515 2.281 30 10 JEEE C=CCN(CC=C)c1nc(=NC(=O)c2ccc(-n3cccc3)cc2)n([C@@H]2CCS(=O)(=O)C2)[nH]1 1870005009 SUDIVSBVOJRYEF-HXUWFJFHSA-N 466.567 2.281 30 10 JEEE C[C@@H](C(=O)Nc1c(C#N)nnn1Cc1cc(Cl)cc2c1OCOC2)N1C(=O)c2ccccc2C1=O 1870106603 BGQBNUQAUADIOY-LBPRGKRZSA-N 492.879 2.341 30 10 JEEE Cc1cccc(Cn2nnc(C#N)c2NC(=O)CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1 1870111937 IWNBQUZTIRSZQC-UHFFFAOYSA-N 459.422 2.040 30 10 JEEE COCCCn1cc(OCC(=O)Nc2sc3c(c2C#N)CCC3)c(=O)cc1CN1CCOCC1 1870324061 SHYYNAHOWPEPQD-UHFFFAOYSA-N 486.594 2.156 30 10 JEEE CC(=O)NCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CN1CCN(c2ccccn2)CC1 1870349917 IYSDOXOMBSMGBQ-UHFFFAOYSA-N 486.576 2.152 30 10 JEEE C=CCn1cc(OCC(=O)NC[C@H]2CCCO2)c(=O)cc1CNc1ccc(N2CCN(C)CC2)cc1 1870982718 DRWGGXDMBKVFMX-XMMPIXPASA-N 495.624 2.072 30 10 JEEE C=CCn1c(C(=O)NCCN(C)C)cc2c(N3CCN(c4ccc(F)cc4)CC3)ncnc21 1873595285 WMFAUYBFFIYBBU-UHFFFAOYSA-N 451.550 2.374 30 10 JEEE C=CCn1c(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)cc2c(N3CCN(C)CC3)ncnc21 1873648166 LYENWBQUBNLAKG-UHFFFAOYSA-N 474.613 2.373 30 10 JEEE C=C[C@]1(O)CCN(C(=O)c2cc(I)cc(I)c2O)C1 1881934557 HKOXMYFRSFRGDW-ZDUSSCGKSA-N 485.059 2.364 30 10 JEEE CN1CCN(CC#CCOC2CCN(C(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)CC1 1890222921 DWAQAVVJALHVLD-UHFFFAOYSA-N 468.476 2.486 30 10 JEEE CN(CC1CCN(S(=O)(=O)c2cc3c4c(c2)CCN4C(=O)CC3)CC1)c1ncccc1C#N 1890877059 IFWNRGRHTIFVDQ-UHFFFAOYSA-N 465.579 2.326 30 10 JEEE COc1ccccc1-c1ccc(N2CCC[C@H](C(=O)N(C)C3CN(c4nccnc4C#N)C3)C2)nn1 1891554510 KBIJHYADAIZDHA-SFHVURJKSA-N 484.564 2.377 30 10 JEEE COc1cc(C=CC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)ccc1OCC#N 2042444027 HYMFEMBWBLBKDN-UHFFFAOYSA-N 455.536 2.452 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1[C@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1(F)F 2124542940 LICIHSYHZZIOMI-CHWSQXEVSA-N 454.283 2.120 30 10 JEEE CC(C)(C)OC(=O)N[C@]1(C(=O)Nc2ccc(Br)cc2C#N)CCS(=O)(=O)C1 2181104555 ALIVADSMKBLKAF-QGZVFWFLSA-N 458.334 2.341 30 10 JEEE C=C(CS(=O)(=O)N1CCO[C@H](CN(C)C(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2255953950 QSOBPPIOZIOCPY-MRXNPFEDSA-N 460.402 2.072 30 10 JEEE CC(C)(C)OC(=O)N1CC(O)(CNC(=O)c2cc(Cl)ccc2B2OC(C)(C)C(C)(C)O2)C1 2267011160 ABNRAHDLLMQSQG-UHFFFAOYSA-N 466.771 2.351 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H]1NS(=O)(=O)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2267471013 PVRKKBAJKYMHFD-AEFFLSMTSA-N 466.409 2.318 30 10 JEEE Cc1nn(C)c(C(=O)N(C)[C@H](C)CN(C)C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267519721 IIKYKAIXLKMZIL-CQSZACIVSA-N 450.389 2.355 30 10 JEEE CC(C)(C)OC(=O)N=c1[nH][nH]cc1CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2267718595 VQLKJZOWWRUHKE-UHFFFAOYSA-N 484.409 2.018 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)CC[C@H]1C(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)cs1 2268717653 MKMIOMFZRFXHGQ-RDJZCZTQSA-N 466.409 2.424 30 10 JEEE Cc1c(C(=O)N[C@@H]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281804357 KWBOGWXZXRAEMO-HRCADAONSA-N 460.384 2.013 30 10 JEEE CCCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CC[C@](C)(NC(=O)C(F)(F)F)C1 2281813066 AYSVINIMRQRBQA-FQEVSTJZSA-N 457.302 2.480 30 10 JEEE C[C@@H]1CN(C(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)C[C@@]1(C)CNC(=O)OC(C)(C)C 2282053797 XNYLPPJOHJMXRD-IQMFZBJNSA-N 462.400 2.342 30 10 JEEE CO[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)N(C(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282171253 HVQNGZJXWDFMQR-QZTJIDSGSA-N 461.368 2.135 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCCCONC(=O)OC(C)(C)C 2282494204 ZQAFDDUVKINMPY-UHFFFAOYSA-N 486.396 2.119 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC12CCC2 2282515364 QNXRAJGSCQLQIA-MRXNPFEDSA-N 460.384 2.239 30 10 JEEE COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)N[C@@H]1COC[C@H]1NC(=O)OC(C)(C)C 2282527529 DQCJSHHKXXUQOR-IAGOWNOFSA-N 462.352 2.016 30 10 JEEE CCn1cc(C(=O)N2C[C@H](F)C[C@H]2CNC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2282527969 KXKSHKWYUOSDDT-CABCVRRESA-N 466.363 2.280 30 10 JEEE Cc1nn(C)c(C(=O)NC[C@@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2282562988 YPBXLKYALDPFHZ-GDBMZVCRSA-N 462.400 2.403 30 10 JEEE Cn1ncc(C(=O)N2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@]3(C)C2)c1B1OC(C)(C)C(C)(C)O1 2282568359 BAVWVJNGHCFJDI-WNSKOXEYSA-N 460.384 2.048 30 10 JEEE Cc1c(C(=O)NC[C@@H]2[C@H]3C[C@H]3CN2C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282588699 WPRSDFVBZYJWRJ-HRCADAONSA-N 460.384 2.013 30 10 JEEE Cn1cc(C(=O)N2CC[C@@H]3CN(Cc4ccccc4)C[C@H]3C2)c(B2OC(C)(C)C(C)(C)O2)n1 2282598502 NZBYUDINYUWPON-UXHICEINSA-N 450.392 2.313 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@]2(C1)CN(C(=O)c1csnc1B1OC(C)(C)C(C)(C)O1)CCO2 2282614114 PPPHTZQZHLLXNU-QFIPXVFZSA-N 479.408 2.294 30 10 JEEE CC(C)(C)OC(=O)NC1CCS(=O)(=NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CC1 2282629055 RJAXQFWYRZANAM-UHFFFAOYSA-N 480.396 2.071 30 10 JEEE CC(C)(C)OC(=O)NCCOCCOCCNC(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282685317 DBVZDXFRYKTSEK-UHFFFAOYSA-N 484.424 2.335 30 10 JEEE C[C@H]1C[C@H](NC(=O)C(F)(F)F)CN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2282842703 BPUYNBTYMBEQIM-JSGCOSHPSA-N 496.382 2.266 30 10 JEEE CC(C)(C)OC(=O)N(CCO)CC(=O)N1CCCc2ccc(B3OC(C)(C)C(C)(C)O3)cc21 2283971510 YDZJSJKLNIBRNA-UHFFFAOYSA-N 460.380 2.494 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCOCC[C@H]1C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2284022371 IVRSGOKUOLDYCZ-HUUCEWRRSA-N 481.424 2.378 30 10 JEEE CC(C)(C)OC(=O)N1Cc2nncn2C[C@@H]1C(=O)N[C@H]1CCC=C1B1OC(C)(C)C(C)(C)O1 2284057216 VUJTUOIGWCAIEV-JKSUJKDBSA-N 459.356 2.234 30 10 JEEE Cn1nc(C(=O)N2CCC[C@@H](NC(=O)C(F)(F)F)CC2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2286119408 DMBFMFQNPBEMLO-LLVKDONJSA-N 478.708 2.046 30 10 JEEE Cc1nnc(SCC(=O)NC2CCCC2)n(N=Cc2c(C(=O)O)[nH]c3ccccc23)c1=O 2321653525 KCBGXZYLZQQTPR-UHFFFAOYSA-N 454.512 2.159 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@H](CCNC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C1 2337339585 VNWRXNMOGOHLAE-CQSZACIVSA-N 467.397 2.198 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(C1CCC1)C1CN(C(=O)OC(C)(C)C)C1 2362463867 AIKQTXDMWIUHFH-UHFFFAOYSA-N 460.384 2.333 30 10 JEEE Cn1cc(C(=O)NC[C@@]23CC[C@@H](C2)N(C(=O)OC(C)(C)C)C3)nc1B1OC(C)(C)C(C)(C)O1 2363698268 ZAAZWXFCCVABFE-NPMXOYFQSA-N 460.384 2.239 30 10 JEEE COC(=O)c1ccc(/C=N/Nc2nnc(SCC(=O)Nc3sc4c(c3C#N)CCC4)n2N)cc1 20913489 MJXDVVCXIGKIPG-YSURURNPSA-N 496.578 2.377 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(CC(=O)N(C)C4CCCCC4)CC3)cc2C1=O 485505597 OIXFQNRWXMZKNF-UHFFFAOYSA-N 452.555 2.018 30 10 JEEE C=CCNC(=O)CN1CCN(C(=O)CCN(c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)CC1 512714408 RSTJGRBRZPKEQZ-UHFFFAOYSA-N 498.649 2.335 30 10 JEEE C=CCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2ccc(-n3cncn3)c(F)c2)c1=O 649449788 QSGLQIXBWOZFIA-UHFFFAOYSA-N 487.516 2.210 30 10 JEEE C#CCN(C(=O)CCCOc1ccc(I)cc1)[C@@H]1CCS(=O)(=O)C1 729335219 JXCXSCOGFHOVKY-OAHLLOKOSA-N 461.321 2.099 30 10 JEEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)c1 749125685 ATIRDRYQAMDKEU-SFAXUQRRSA-N 496.636 2.353 30 10 JEEE COc1cc(CNC(=O)CSc2n[nH]c(NN=Cc3cc(OC)ccc3O)n2)cc(OC)c1 1084228143 GXDGKHRZQMCIQA-UHFFFAOYSA-N 472.527 2.391 30 10 JEEE N#Cc1c(Br)cccc1OCC(=O)N1CCC(S(=O)(=O)N2CCCC2)CC1 1155676889 HOMNFRXQTFIAKO-UHFFFAOYSA-N 456.362 2.116 30 10 JEEE C#CC1(O)CN(C(=O)[C@H](C)Oc2c(I)cc(Cl)c3cccnc23)C1 1158397262 BTWQWZHHRLCACW-JTQLQIEISA-N 456.667 2.467 30 10 JEEE C=CCN1CC[C@H](N2CCC[C@H](c3cc(N4CCN(C(=O)OC(C)(C)C)CC4)n[nH]3)C2)C1=O 1174798330 OSPIMBVMXXNYNV-ICSRJNTNSA-N 458.607 2.433 30 10 JEEE C#CCN1CCC[C@H](NC(=O)c2cccnc2SCC(=O)Nc2ccc3c(c2)OCO3)C1 1177755066 UXOKXBOXWDWDRG-KRWDZBQOSA-N 452.536 2.369 30 10 JEEE CN1CCN(S(=O)(=O)c2ccccc2CNC(=O)CSCc2ccc(C#N)cc2)CC1 1265103264 AALMOZOYVUOXDS-UHFFFAOYSA-N 458.609 2.044 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(-n2ccnc2C)c(F)c1 1286275475 SHAKPMQRWFETAC-LSDHHAIUSA-N 459.551 2.028 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@H]2CCC[C@@]3(CCOC3)O2)c1 1286308689 LPYOEXTYFNANGU-RLWLMLJZSA-N 494.596 2.201 30 10 JEEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1286336513 SSTLAWJCEUBCKY-UGKGYDQZSA-N 467.570 2.474 30 10 JEEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCCN(Cc2ccccc2)C1 1286361946 VLTMZQRAEKRNQN-TZIWHRDSSA-N 458.632 2.260 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC[C@H](C)N(C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1286392696 JKEFMZALVBVSGE-WWNPGLIZSA-N 485.654 2.319 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccccc1Cl)N(C)C 1286409986 QEYZHWBSMBBFHI-FXAWDEMLSA-N 460.003 2.209 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1286547373 OKVRJHRZRVOBMC-AQNXPRMDSA-N 456.595 2.447 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1286552427 MKQIFINIGFIMFM-NTKDMRAZSA-N 498.628 2.154 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1286566114 MBYFIIRGCYWNIS-VGOFRKELSA-N 470.574 2.338 30 10 JEEE C=CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(CCOC)[C@H](C)C1 1286700438 HTWZSYMQLPAPNC-GOSISDBHSA-N 451.575 2.315 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCC2(CC1)COC(=O)N2)C(C)C 1286751328 PBDIFJUUDHZDLN-FQEVSTJZSA-N 468.606 2.456 30 10 JEEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN([C@H](C)c2ccc(F)cc2F)CC1 1286770937 OCUGOENASSAFGW-HUUCEWRRSA-N 454.547 2.236 30 10 JEEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1286775071 YISITWZUGWZVPR-SJORKVTESA-N 453.609 2.450 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N(C)CC(=O)NC(C)(C)C 1286779170 FTBRUFTUHLDUSR-UHFFFAOYSA-N 463.380 2.361 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCN(Cc3cnc(C)s3)CC2)nnc1C(C)(C)C 1286824523 DHLQWOFUPDFDNJ-UHFFFAOYSA-N 452.650 2.264 30 10 JEEE CC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCN2S(C)(=O)=O)C[C@H](C)O1 1293637795 HLQLGRTVMZYAGR-DFQSSKMNSA-N 488.614 2.156 30 10 JEEE C=CCN1CC[C@H](N(C)C(=O)CC[C@@H]2NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)C1=O 1297062530 QRDYJHKLHZJKGA-HOTGVXAUSA-N 453.326 2.444 30 10 JEEE C#CCN(c1nnc(C2(c3ccccc3)CCC2)n1C[C@@H](COC)OC)[C@H]1CCS(=O)(=O)C1 1300484146 RJYKTCSSSATZBZ-SFTDATJTSA-N 472.611 2.036 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCc1cc(C)cc(C)c1)[C@@H]1CCS(=O)(=O)C1 1300505857 JOZYPJMVXXCJNJ-ZRBLBEILSA-N 486.638 2.488 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCN1Cc1ccccc1 1300556582 JIIZHVVLRDYXDM-IFMALSPDSA-N 468.627 2.016 30 10 JEEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CCC(=O)Nc2cccc(Cl)c2C)CC1 1300696369 ZUIROHXMRYSAMH-UHFFFAOYSA-N 464.961 2.481 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cccn(CC)c2=O)CC1 1300718353 LEISMXCROHVACB-UHFFFAOYSA-N 469.549 2.012 30 10 JEEE C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1300848788 ILHVYMOTNZGMRS-MBNYWOFBSA-N 498.394 2.247 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1301150903 DDAIEPUDZILQOU-SQNIBIBYSA-N 455.625 2.075 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1[C@H]1CCCO1 1301151697 OYVKAYIMMXSESM-OTWHNJEPSA-N 467.636 2.361 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(O)CCOCC1 1301402372 GJHBTYLJXKZCCJ-GOSISDBHSA-N 463.579 2.306 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CCC[C@@H](NC(C)=O)C1 1301482715 ATCOBSVREBXMHB-QGZVFWFLSA-N 461.364 2.115 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCC(S(C)(=O)=O)CC1 1301493385 XRPDUEXHQNPVMV-UHFFFAOYSA-N 491.614 2.057 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)ccc2C)nnc1N1CCC(C(=O)OC)CC1 1301593064 HWFKCIHKWJRUTR-UHFFFAOYSA-N 476.599 2.464 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 1301596742 XMVQRLLNQZOGDY-QGZVFWFLSA-N 479.628 2.063 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(C2CCC2)n1CC1(O)CCS(=O)(=O)CC1 1301773694 HWVWOOFPUAXQMD-UHFFFAOYSA-N 473.599 2.010 30 10 JEEE C[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1)N1CCC[C@@H](C)C1 1305023355 GQHPCCYMNAFLEU-AABGKKOBSA-N 485.658 2.407 30 10 JEEE CC(C)CN(C(=O)CN1CCC[C@H](CC#N)C1)c1c(O)nc(=O)n(Cc2ccccc2)c1N 1307922934 DONGFRXYERUTMB-LJQANCHMSA-N 452.559 2.194 30 10 JEEE COc1ccccc1-c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC(=O)NC(C)C 1315606487 HCCZWMMNVYNSNE-UHFFFAOYSA-N 460.542 2.072 30 10 JEEE COC[C@@H]1CCCCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N2CCOCC2)C1 1315886180 CNXLNGWBBFCJRK-OAQYLSRUSA-N 482.585 2.231 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OC)c(OC(F)F)c1 1358871755 JZHLFWHCWFMADU-OLZOCXBDSA-N 457.503 2.005 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1CC1(O)CCS(=O)(=O)CC1 1358876571 MNEHMCZDNLCHSK-ZDUSSCGKSA-N 485.379 2.244 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1358882199 VETSQNLQSXSGMV-DLTPIXJPSA-N 464.526 2.337 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCN(C)S(=O)(=O)CC 1358900653 POMMHQQWOSAUPA-OKZBNKHCSA-N 482.651 2.178 30 10 JEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cc(F)ccc2F)CC1 1358905454 ZXPIBMMHPIGUJU-INIZCTEOSA-N 466.558 2.297 30 10 JEEE C#CCCCn1c(Cc2ccccn2)nnc1N1CCC(CC(=O)N2CCN(CC)CC2)CC1 1358932064 XGVOQUFLUDVMPD-UHFFFAOYSA-N 463.630 2.448 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H]1CCCOC1)[C@H]1CCS(=O)(=O)C1 1358957908 CLGQXKZIFXRMOZ-MJGOQNOKSA-N 474.583 2.016 30 10 JEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1CC1=CCCOC1)[C@H]1CCS(=O)(=O)C1 1358966602 SBHCXMSXFCTYRR-NRFANRHFSA-N 470.595 2.045 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1Cc1cnn(C)c1 1358991789 OSWWHOHOXWKLID-UHFFFAOYSA-N 454.538 2.310 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2Cc2csc(COC)n2)CC1 1359031825 QWYWWNFTTIISTO-UHFFFAOYSA-N 468.583 2.369 30 10 JEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)NC2CCCCC2)CC1 1359056194 ZZFZOOWODQAKDF-LJQANCHMSA-N 458.632 2.261 30 10 JEEE C#CCSCCn1c(N2CCN(S(=O)(=O)c3csc(C)n3)CC2)nnc1C(C)(C)C 1359062775 RYQZTIBSHWNZRF-UHFFFAOYSA-N 468.674 2.218 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(Cl)cc1 1359070583 PRLTZXYKMBOBEA-GHTZIAJQSA-N 463.991 2.305 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCN(C(=O)OCC)CC1 1359091619 PMINWBTVXHNHTC-QRVBRYPASA-N 451.568 2.262 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCC(CC(=O)N(C)C)CC1 1359333313 UEJMNTRBVDPTMC-UHFFFAOYSA-N 495.596 2.443 30 10 JEEE CC(=O)N1CCN(CCn2c(COc3ccc(C#N)cc3)nnc2N(C)CC2CC(F)(F)C2)CC1 1359401934 ITQBAHSYISRXRQ-UHFFFAOYSA-N 487.555 2.374 30 10 JEEE CN(C)S(=O)(=O)C[C@H](OC(=O)COc1cccc(Br)c1C#N)C(F)(F)F 1436563503 HZYJPFSZQOAVBD-LBPRGKRZSA-N 459.240 2.065 30 10 JEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(Cc3ccccc3)C(=O)CO2)C1 1455212600 SYAPLQPDXNUAES-CJFMBICVSA-N 455.555 2.323 30 10 JEEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2cccc3c2CCN3C(=O)C(F)(F)F)cc1 1455976848 KJCYUVOWOUTNBH-UHFFFAOYSA-N 451.426 2.302 30 10 JEEE C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cccc(C(=O)NC[C@@H](O)CO)c1 1456731727 QJKVQLFPSYSPBV-QGZVFWFLSA-N 458.458 2.170 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CCCC3)n2C[C@@H]2CCS(=O)(=O)C2)c1 1507550471 LIZAVKNFUZTRAH-SFHVURJKSA-N 455.584 2.427 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1Cc1nccs1)[C@H]1CCS(=O)(=O)C1 1507625575 KJJCRENBVATAHL-AWEZNQCLSA-N 495.428 2.178 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CC1(C(N)=O)CCCC1)[C@H]1CCS(=O)(=O)C1 1507626244 DQTBMQSCKVZTAA-FQEVSTJZSA-N 469.611 2.180 30 10 JEEE C#CCN(c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC(=O)N(C)CC)[C@@H]1CCS(=O)(=O)C1 1507629487 UMIWNSMLWBDHSS-SJLPKXTDSA-N 489.667 2.236 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1CCc1ccc(OC)cc1OC)[C@@H]1CCS(=O)(=O)C1 1507629927 QUXHOIRTTQWAFM-LJQANCHMSA-N 481.578 2.227 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H](C(C)C)N1CCOCC1 1507681332 WEWBPHYIVLBTRN-NRFANRHFSA-N 459.616 2.165 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1(NC(=O)OC(C)(C)C)COC1 1507708019 FZUGUPKGSUREAT-UHFFFAOYSA-N 499.568 2.096 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1C[C@H]1[C@H](C)CCN1C(=O)OC(C)(C)C 1507710142 KESMVXFGCUQAEF-MJGOQNOKSA-N 455.563 2.467 30 10 JEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)c2ccccc2C)CC1 1507753656 HSRXDUDZZJBADT-HXUWFJFHSA-N 466.611 2.303 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCN(C(=O)N(CC)CC)CC2)nnc1[C@@]1(OCC)CCOC1 1507810719 LRZOQUUXRDCZMT-TYBLODHISA-N 490.649 2.495 30 10 JEEE C=C(C)COCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC(NS(C)(=O)=O)CC1 1507842645 JYLPSGXUDKQYHZ-UHFFFAOYSA-N 485.614 2.242 30 10 JEEE C=CC1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1507896947 DABRSABPGPDCPR-KRWDZBQOSA-N 484.557 2.362 30 10 JEEE C=CC[C@H](Cn1c(CN2CCCC2=O)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1)c1ccccc1 1507929440 PPKJTOLDCQMRAL-NJDAHSKKSA-N 467.570 2.121 30 10 JEEE C=CCCOCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC(NC(C)=O)CC1 1507958180 QEVKIZLWAKYFPC-UHFFFAOYSA-N 489.646 2.244 30 10 JEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1508058806 GEPLOVPVCFMFHP-AQNXPRMDSA-N 476.622 2.320 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1508074050 MCBPZEFOTNRRCN-KBXCAEBGSA-N 471.493 2.129 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1508135770 ASBZKZXYVYDYHS-GOSISDBHSA-N 475.590 2.428 30 10 JEEE CC[C@H](C)[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@H]2C1 1512728968 GAKPZQDWMKVMED-PRCFCKQXSA-N 454.531 2.167 30 10 JEEE CCCC(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2nncn2CC)CC1 1514241480 CCDZWHCPGMDNIW-UHFFFAOYSA-N 477.573 2.274 30 10 JEEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](c2nnc(C(C)C)o2)C1 1539089855 UJIMXUBIMSWJPU-MRXNPFEDSA-N 450.503 2.423 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1CCN(CC)C(C)C)[C@H]1CCS(=O)(=O)C1 1539210850 HADKCEYMCUJODZ-FQEVSTJZSA-N 487.626 2.073 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@]1(C)CN(C)C1=O 1539324696 XKRYVQUTEZIJCU-DFBJGRDBSA-N 468.602 2.334 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CCCN1C[C@H](C)O[C@@H](C)C1 1539413439 IMYFYWILZWULSY-OALUTQOASA-N 479.585 2.179 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2CCNC(=O)c2cccc(OC)c2)CC1 1539484182 GGGXUKKLCAIKGK-UHFFFAOYSA-N 492.624 2.415 30 10 JEEE C=CCC(C)(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1539903560 ZXBDEGYVZWFHIQ-FUHWJXTLSA-N 470.549 2.307 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 1540200759 HWBGDLCFNDYOFF-RTBURBONSA-N 497.662 2.466 30 10 JEEE COc1cc(NC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)ccc1N1CCCC1=O 1540611795 FLQDYTKOGOZZAB-CQSZACIVSA-N 456.524 2.278 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N(C)Cc1ccc(C(N)=O)cc1 1540864160 RCHZMMUPVHEWFP-UHFFFAOYSA-N 486.374 2.084 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1540900406 UPUKYZXKTTZIIR-YZZKKUAISA-N 471.583 2.190 30 10 JEEE CCC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1546838766 BQWQEZPFOIGPSQ-XMSQKQJNSA-N 460.604 2.133 30 10 JEEE COCC[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC2CCOCC2)CC1 1555418883 FNRWEXYOCNBECM-RUZDIDTESA-N 468.602 2.153 30 10 JEEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CC[C@](F)(C#N)C3)n2CCc2ccc(Cl)s2)C1 1555812334 DDTKDCBNBXQALA-KDOFPFPSSA-N 488.998 2.011 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2C[C@H]2CCCN(C(C)=O)C2)c1 1587692771 LCOZXDDPHUFRRE-SFTDATJTSA-N 464.570 2.097 30 10 JEEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1csc(C)c1)[C@@H]1CCS(=O)(=O)C1 1588034664 KAROMSJWRALACA-DENIHFKCSA-N 478.640 2.364 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1C[C@H](c1ccccc1)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1588058943 FXUYPZMBEBOZEI-XZOQPEGZSA-N 485.654 2.177 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2Cc2ccc(C(N)=O)nc2)CC1 1588780387 OFJYRDROHZZFAE-UHFFFAOYSA-N 489.580 2.038 30 10 JEEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1588993504 JSNCIMPFXCPSFF-JOCHJYFZSA-N 498.653 2.072 30 10 JEEE C#CCSCCn1c(N2CCN(c3ccccn3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1589125758 QGJQMPGMQWJFPC-HSZRJFAPSA-N 456.616 2.407 30 10 JEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(Cc2ccccc2)C[C@@H]1C 1594732678 GUWGKOOEZIMARB-UNMCSNQZSA-N 488.658 2.288 30 10 JEEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(OC(C)C)CC1 1595543998 DPBTZEMDKKDWHM-UHFFFAOYSA-N 468.606 2.148 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc3ccccc3o2)nnc1N1CCC[C@H](NC(C)=O)C1 1595766763 WVAPKWNPDYBDRJ-SFHVURJKSA-N 457.556 2.397 30 10 JEEE C=CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1595878177 JVMNGESKBRIJMZ-VQTJNVASSA-N 462.664 2.224 30 10 JEEE CC(=O)NCC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)c2ccco2)CC1 1596591026 HIVJWQPPJVNFLW-UHFFFAOYSA-N 461.526 2.192 30 10 JEEE COc1ccc(-c2nc(CCNC(=O)[C@@H](C)NS(=O)(=O)c3cccc(C#N)c3)co2)cc1 1610030428 AGOVERYTCKATHD-OAHLLOKOSA-N 454.508 2.248 30 10 JEEE Cc1nc(N2CCOCC2)sc1-c1nnc(N2CCC(CC#N)CC2)n1CCNC(=O)C(C)C 1611847949 FYZNDBKHCRRQRV-UHFFFAOYSA-N 486.646 2.449 30 10 JEEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N2CCOCC2)C[C@@H](C)S1 1612977483 DQYNFMFDAFBRRS-HDICACEKSA-N 470.599 2.308 30 10 JEEE C#CCNC(=O)CN1CCN(C(=O)c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)CC1 1635993439 NMMGQKLRDMEBOW-UHFFFAOYSA-N 453.358 2.483 30 10 JEEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCN(Cc4ccccc4)C[C@@H]3C(C)C)CC2)o1 1643901085 FDYOMCXQIVOLJK-HSZRJFAPSA-N 450.587 2.346 30 10 JEEE C[C@H](NC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)[C@@H]1CN(Cc2ccccc2)CCO1 1679559557 CRRSJCCBRANOMW-KCLUMXDGSA-N 457.575 2.334 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@H]1OCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1689991940 DUNASCMUVKVVOW-PZJWPPBQSA-N 472.611 2.319 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H](CC)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1689998483 NHAYWWANCLUVQP-RCCFBDPRSA-N 481.619 2.060 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H](c2cccs2)N(C)C)CC1 1690145999 CSTUNFXAQKFXKG-OALUTQOASA-N 456.616 2.112 30 10 JEEE C=CCn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](C(=O)OC)[C@H](CNC(=O)OC(C)(C)C)C1 1690648299 WRCYAMLKHRSOHV-QZTJIDSGSA-N 473.578 2.076 30 10 JEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(n2cc(Cl)cn2)CC1 1705510741 XPDIWKRXAMGIPV-HNNXBMFYSA-N 454.000 2.383 30 10 JEEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 1705523350 OUMLTPHREYFGTH-OAQYLSRUSA-N 459.554 2.194 30 10 JEEE C#CCN(c1nnc(CC)n1C[C@H]1CCN(c2ccccc2OC)C1)[C@H]1CCS(=O)(=O)C1 1705571130 WATOCBZCJIQSHU-OALUTQOASA-N 457.600 2.002 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H](C)Oc2ccccc2OC)CC1 1705648301 QFKPTNTVQBRLSV-QUCCMNQESA-N 467.570 2.224 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2cccnn2)CC1 1705693956 MLKHPKYSWCAGIO-WIYYLYMNSA-N 468.606 2.294 30 10 JEEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](C)CN1CCN(CC)CC1 1705843936 RKZUDPRTEMBJOY-NHCUHLMSSA-N 491.681 2.482 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c([C@@H]2CCOC2)nnc1N1CCc2nn(C)c(=O)cc2C1)C(C)C 1705869543 XSSORVSNCMGEGN-KNQAVFIVSA-N 467.618 2.137 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@]1(C)OCCc2sccc21 1706069467 CZPVZZJUHHAAAL-TYILLQQXSA-N 452.606 2.034 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1CC1(C(=O)N(C)C)CCCC1 1706852630 FMFIZHOWRTUGNF-QGZVFWFLSA-N 487.630 2.045 30 10 JEEE C#CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1722330289 QTELQSWAXDNBBC-FQEVSTJZSA-N 466.586 2.119 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1CCN(C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1722359689 ACNMUZWIGKXANX-NRFANRHFSA-N 466.611 2.042 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1ccnc(C(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 1722362921 WYGXBCVVVILNQD-INIZCTEOSA-N 476.484 2.429 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1CCNC(=O)C(C)C)[C@H]1CCS(=O)(=O)C1 1722363379 RUSWVABFUWBEGB-INIZCTEOSA-N 481.981 2.137 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Cl)n1C[C@@H]1CCCCS1(=O)=O)[C@H]1CCS(=O)(=O)C1 1722364106 XITJEDIOCHOHSE-IRXDYDNUSA-N 497.042 2.193 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2CC(C)(C)N2CCCCC2)CC1 1722441195 NITUIBWXLCVNKK-UHFFFAOYSA-N 485.677 2.427 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H](c2cccs2)N(C)C)CC1 1722441400 PKIXWNREGGVAGZ-ZJOUEHCJSA-N 458.632 2.122 30 10 JEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC(NC(=O)c2cc(C)oc2C)CC1 1722461020 BDZHQONNAGPIMQ-UHFFFAOYSA-N 484.626 2.376 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCOc2ccccc2Cl)CC1 1722565838 CLFRNVNDXCRSLO-LJQANCHMSA-N 482.006 2.500 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H]2CCCS(=O)(=O)C2)C1 1722721650 KIKWKJXJOUVRPP-SJLPKXTDSA-N 451.618 2.240 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1722728795 YEULSGNBVURXQF-ROUUACIJSA-N 464.592 2.271 30 10 JEEE COc1ccc(-c2nnc(N(C)C[C@@H](C)C#N)n2CCS(C)(=O)=O)cc1Br 1730049195 FRIKTVISIFUAMY-LBPRGKRZSA-N 456.366 2.357 30 10 JEEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CC(C)(C)N[C@H](C)c2ccccc2)CC1 1740698494 GXBSEYFLAQMUEL-OAQYLSRUSA-N 463.630 2.285 30 10 JEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1740709890 NLYRGIGLGSVQMA-UHFFFAOYSA-N 458.632 2.109 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)OCC)CC1 1740764784 JUXVVAZRJJXKSR-FYQPLNBISA-N 463.579 2.262 30 10 JEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2c(cccc2OC)C1 1740875836 KVTFTRSFNXMYRV-FQEVSTJZSA-N 461.588 2.149 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCS(=O)(=O)C(C)(C)C 1740937979 UYBODAYPJFLSSM-QGZVFWFLSA-N 484.644 2.222 30 10 JEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC2(CCN(C)C2=O)CC1 1740950356 HPPCADJYEOJSAF-KRWDZBQOSA-N 460.579 2.221 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CC[C@](F)(C#N)C1 1740988403 DAKAPALYDRLCAW-NRFANRHFSA-N 463.535 2.395 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N(C)CC(=O)Nc1cccc(C)c1C 1740991554 YXOJLBSVXSRJBJ-LJQANCHMSA-N 475.615 2.465 30 10 JEEE C[C@@H](N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)C2CC2)CC1)C(F)(F)F 1741894511 FQVOIORPXCTZDA-OAHLLOKOSA-N 461.492 2.416 30 10 JEEE CCS(=O)(=O)NCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC[C@](C)(C#N)C1 1747447441 DRFMZEFTCJUCDU-JOCHJYFZSA-N 455.588 2.420 30 10 JEEE CN(C)S(=O)(=O)CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@](F)(C#N)C1 1747607121 FFPBQNABHWRFGA-QFIPXVFZSA-N 478.594 2.488 30 10 JEEE CNC(=O)C(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1748072116 HAMCLWFNXDEUGW-UHFFFAOYSA-N 467.574 2.108 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2CCCC(=O)NC2CC2)c1 1748692121 RQBJFLILDSXHHB-UHFFFAOYSA-N 457.538 2.455 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CCCn2nc(C)cc2C)c1 1748692954 SWVOIVGUYVCFPD-NRFANRHFSA-N 474.569 2.189 30 10 JEEE C#CCN(c1nnc(C(C)C)n1CCc1cnn(-c2ccccc2)c1)[C@H]1CCS(=O)(=O)C1 1748802920 UAOGEMZTSSZFPC-NRFANRHFSA-N 452.584 2.457 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1CC1CCN(C(=O)OC)CC1)[C@H]1CCS(=O)(=O)C1 1748821007 LFENIBFSJMDFML-QFIPXVFZSA-N 499.637 2.168 30 10 JEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2cccc(Cl)c2)C1 1749023894 ZFLCHGRCXGXJJI-MAUKXSAKSA-N 484.047 2.486 30 10 JEEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1749048885 DFHNGNYGZQLRAV-WOJBJXKFSA-N 490.674 2.137 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCN1CCN(C(C)=O)CC1 1749154642 YKLXWEQTIFMHEB-UHFFFAOYSA-N 492.628 2.241 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(c2ccnc(C)n2)CC1 1749175548 IFQRQDUHJKYIGN-UHFFFAOYSA-N 482.614 2.197 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@]2(CCOC2)C1)C(C)C 1749557985 QABMAPRTCCVYRL-PQNGQFLHSA-N 477.675 2.496 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2nc(C)c(C)s2)C1 1749711607 AYMXUWVIPAGKOL-IAGOWNOFSA-N 451.618 2.278 30 10 JEEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1749755914 NYCRMZDICRADAV-KFWWJZLASA-N 483.582 2.165 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccnc(OC2CCCC2)c1 1750059631 AYSGFWHQSGDYJE-HZPDHXFCSA-N 461.592 2.249 30 10 JEEE CC(C)CCOc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCNS(C)(=O)=O)cc1 1750802764 AOHVRGKCWDOQJA-OAQYLSRUSA-N 464.567 2.361 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1ccccc1OCC=C)[C@H]1CCS(=O)(=O)C1 1760186665 FDWNVBKGHSXLCP-SFTDATJTSA-N 470.595 2.412 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1Cc1cccnc1OC)[C@@H]1CCS(=O)(=O)C1 1760191683 LQDIQTJKGPLPDQ-OAQYLSRUSA-N 465.579 2.142 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccc(F)c(F)c2)CC1 1760265399 ADGQHTMLLKFRLD-DEOSSOPVSA-N 473.524 2.223 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1760313394 NPSXEXKWPUGYTC-CTNGQTDRSA-N 484.576 2.499 30 10 JEEE C=CC[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccnn2)CC1)c1ccccc1 1760417911 KJAWAWKLXJGEOW-CTNGQTDRSA-N 496.641 2.365 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1OCC[C@H]1C 1760484961 OVNTTZTZLCUXJJ-DUXKGJEZSA-N 493.605 2.368 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N(CC)[C@@H]2CCS(=O)(=O)C2)cc1 1760530442 PBQGVKMRGSXSJA-LJQANCHMSA-N 473.599 2.141 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3ccccc3n2)nnc1N1C[C@H](C)O[C@H](COC)C1 1760553216 OKLRQCVEPCVINA-HKUYNNGSSA-N 471.583 2.334 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1760557247 FQVDLADRIUBCHP-IBGZPJMESA-N 489.646 2.009 30 10 JEEE CCCNC(=O)c1cccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@](C)(C#N)C2)c1 1766200987 HCURVMHWLGSJIC-GBXCKJPGSA-N 484.626 2.498 30 10 JEEE CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1769325123 GYXJJTSHTCLVJO-GOSISDBHSA-N 453.547 2.398 30 10 JEEE COc1ccc(NC(=O)C[C@H]2SC(=NN=Cc3ccc(OC)c(OC)c3C(=O)O)NC2=O)cc1 1772727304 JVUGAYSOMMGLBQ-MRXNPFEDSA-N 486.506 2.361 30 10 JEEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCCO)[C@H]2c2cc3c(cc2[N+](=O)[O-])OCCO3)c1 1862708854 GKQLXAYKMUUYHI-FQEVSTJZSA-N 470.434 2.335 30 10 JEEE CCCCCCCCn1cc(OCC(=O)OCCOC)c(=O)cc1CN1CCC(C(N)=O)CC1 1870477178 XDLPPGNPCAWZIN-UHFFFAOYSA-N 479.618 2.475 30 10 JEEE COCCN1CC(=O)C(c2nc(C)cs2)=C1NC(=O)c1ccc2c(c1)C(=O)N(C(C)C)C2=O 1873710753 SNZTYOLVMHNDCB-UHFFFAOYSA-N 468.535 2.086 30 10 JEEE COc1cccc(/C=N/n2c(SCC(N)=O)nnc2[C@H]2CC(=O)N(Cc3ccccc3)C2)c1OC 1874210676 ZYSIPJXFXHBUJX-XIMCHAMWSA-N 494.577 2.271 30 10 JEEE Cc1cc(N)n(-c2cccc(C(=O)N3CCC(OCC#CCN4CCN(C(C)C)CC4)CC3)c2)n1 1889585507 XFGBVINTPIOGKV-UHFFFAOYSA-N 478.641 2.414 30 10 JEEE COc1ccccc1OCC#CCNC(=O)[C@H]1CCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 1892000904 OXCYZTNYZTYYRK-HXUWFJFHSA-N 487.534 2.345 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](C(=O)O)N(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C1 2188802613 UPCBIGLJBSLBLM-AQNXPRMDSA-N 471.558 2.259 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCON(C(=O)OC(C)(C)C)C1 2255625423 QZRFFCYTUFFNQH-ZDUSSCGKSA-N 453.370 2.422 30 10 JEEE CCn1cc(C(=O)N[C@H]2CC[C@@H]2NC(=O)OCc2ccccc2)nc1B1OC(C)(C)C(C)(C)O1 2255654039 RBKRCPNUHZAPDW-ROUUACIJSA-N 468.363 2.389 30 10 JEEE Cc1cc(S(=O)(=O)N[C@@H]2C[C@@H]2NC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2255747873 SMAUXVFWGMBEOJ-DLBZAZTESA-N 452.382 2.238 30 10 JEEE C=C(CS(=O)(=O)N[C@@H]1[C@@H](NC(=O)OC(C)(C)C)C[C@H]1OCC)B1OC(C)(C)C(C)(C)O1 2255796178 MRVFNOJIVAHHSG-ARFHVFGLSA-N 460.402 2.164 30 10 JEEE C[C@H](NC(=O)c1nn(C)c(Cl)c1B1OC(C)(C)C(C)(C)O1)[C@@H](C)NC(=O)OC(C)(C)C 2255817204 QXTJYWGFSMFKAX-NWDGAFQWSA-N 456.780 2.404 30 10 JEEE Cc1sc(C(=O)N(C)C[C@@H](O)CNC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2255842774 XFCJRXYINMHPNC-AWEZNQCLSA-N 454.398 2.313 30 10 JEEE CN(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)s1 2256621591 WVCWNTSVVOYDBP-OAHLLOKOSA-N 453.414 2.118 30 10 JEEE CC(C)(C)OC(=O)NCC[C@H](O)C(=O)Nc1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)n1 2256666416 SPIQSBXLPCHIEH-ZDUSSCGKSA-N 455.748 2.248 30 10 JEEE CON(CCNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(C)c1)C(=O)OC(C)(C)C 2267360495 UYUQOIMNQVOYCO-UHFFFAOYSA-N 470.397 2.371 30 10 JEEE Cc1c(C(=O)N2C[C@H]3C[C@H]2[C@@H]3NC(=O)OCc2ccccc2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2267503831 KAIFXADNBUKFHS-WSTZPKSXSA-N 480.374 2.167 30 10 JEEE CC(C)[C@](C)(CNC(=O)OC(C)(C)C)NC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2267504558 UQDKUQGRLLLERO-QFIPXVFZSA-N 450.389 2.389 30 10 JEEE C=C(CS(=O)(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1CCOC)B1OC(C)(C)C(C)(C)O1 2267722335 JPUMCTFLDSDXEJ-KRWDZBQOSA-N 474.429 2.462 30 10 JEEE CN1CCN(c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)[C@@H](CNC(=O)OC(C)(C)C)C1 2269002178 ZALDOCUOELVURF-INIZCTEOSA-N 450.364 2.165 30 10 JEEE Cc1c(C(=O)NCC2CCN(C(=O)OC(C)(C)C)CC2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281796682 NQXKEOHRMZQUDO-UHFFFAOYSA-N 462.400 2.405 30 10 JEEE Cc1nn(C)c(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC2(C)C)c1B1OC(C)(C)C(C)(C)O1 2281987169 WSMVWUOYOWWCAP-HNNXBMFYSA-N 462.400 2.403 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C1 2282005574 QEPWOKSBVONEMY-GDBMZVCRSA-N 462.400 2.403 30 10 JEEE CC[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2282032330 DXKDCLMNXOBDEJ-JKSUJKDBSA-N 462.400 2.485 30 10 JEEE Cc1ccc(C(=O)N2C[C@H](O)C[C@@H](NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2282127834 CNMIYIQSLHKNNM-IAGOWNOFSA-N 460.380 2.394 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)NC[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 2282132244 ZOVSHVATGDEMTM-DEOSSOPVSA-N 460.380 2.396 30 10 JEEE CC[C@@H]1[C@H](NS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CCN1C(=O)OC(C)(C)C 2282347945 FMCVPPHEJXWMAS-QZTJIDSGSA-N 481.424 2.447 30 10 JEEE C[C@H]1C[C@H](CNC(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2282575245 ALYZYTWTMWHEMS-JKSUJKDBSA-N 462.400 2.485 30 10 JEEE Cc1cc(C(=O)N2C[C@H](NC(=O)OC(C)(C)C)[C@H]3COC[C@H]32)oc1B1OC(C)(C)C(C)(C)O1 2282585976 SFTOQWDXKCNUJU-OWCLPIDISA-N 462.352 2.251 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CCN(Cc2ccccc2)CC1(C)C 2282857385 HHDOXGLZJPBEFB-UHFFFAOYSA-N 474.436 2.004 30 10 JEEE CC(C)(C)OC(=O)NC[C@H](O)CCC(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)ccc1F 2283970254 FNTNFPCIAUQIPZ-QGZVFWFLSA-N 466.359 2.407 30 10 JEEE Cn1cnc(C(=O)N2CCC([C@H]3CN(c4ccc(C#N)c(C(F)(F)F)c4)C[C@H]3C(N)=O)CC2)c1 2297650322 LHAIUWPWDZGPCB-QZTJIDSGSA-N 474.487 2.401 30 10 JEEE Cc1ccc([C@H]2C(=C(O)c3ccc(S(=O)(=O)N(C)C)cc3)C(=O)C(=O)N2CCCN(C)C)o1 2297747113 CBCXGDUEXUZRGK-FQEVSTJZSA-N 475.567 2.212 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N1CCc2scc(B3OC(C)(C)C(C)(C)O3)c2C1 2336497065 KEIWLXQSKZNAFF-MRXNPFEDSA-N 466.409 2.208 30 10 JEEE CC(C)(C)OC(=O)NCCCONC(=O)c1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1O 2339406225 DTUFWKIZEVBWSX-UHFFFAOYSA-N 454.304 2.407 30 10 JEEE COc1cccc(NC(=O)CCSc2n[nH]c(N/N=C/c3c(C)nn(CCO)c3C)n2)c1 59888105 LHYMGWHGNZJNDY-CIAFOILYSA-N 458.548 2.186 30 10 JEEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(OS(=O)(=O)c3cc(C)ccc3C)cc2)CC1 105265081 LJDOEJAUJZPKOD-UHFFFAOYSA-N 471.579 2.131 30 10 JEEE C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1CN(C)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 204868795 MNEIHKPBKDAMTI-AEFFLSMTSA-N 489.426 2.116 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CCCN(c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 215692465 PJBGJMSMWLRYBS-IRXDYDNUSA-N 489.426 2.022 30 10 JEEE C#Cc1cccc(-n2c(=C(C#N)C(=O)c3ccccc3OC)sc(=Cc3ccnn3C)c2=O)c1 726581386 SEZHDEDSQNSMFB-UHFFFAOYSA-N 466.522 2.008 30 10 JEEE CC#CC[C@@H](NC(=O)[C@H](CN(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 757211740 OESJPWCOBGLLMC-PKTZIBPZSA-N 463.534 2.438 30 10 JEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1CCN(c2ccc(Cl)cc2F)C1 1150855967 CHYHEGMWURGWKU-BBRMVZONSA-N 450.923 2.413 30 10 JEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc(F)cc1 1153806986 HWWWEWNGQKQQIV-QKKBWIMNSA-N 453.499 2.262 30 10 JEEE C#CCC[C@@H](O)CNC(=O)c1cccc(NC(=O)C[C@@H]2SC(N3CCCCC3)=NC2=O)c1 1155521739 XXNLJUUHZNHXGB-MOPGFXCFSA-N 456.568 2.003 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H](C)CN1CCOCC1 1286275457 SEWNIKSWNYHDCI-QZTJIDSGSA-N 458.994 2.288 30 10 JEEE C#CCN(c1nnc(-c2noc3c2COCC3)n1CCCSCC(C)C)[C@H]1CCS(=O)(=O)C1 1286389766 QEDSKYKTXQRFCV-KRWDZBQOSA-N 493.655 2.412 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@H](C)CN1CCN(CC)CC1 1286406668 CXTOYGVDAVOWBZ-QHCPKHFHSA-N 470.625 2.477 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(OC)c(Br)c2)n1CC1(O)CCOCC1 1286463064 HAPIVXMBFPNYID-UHFFFAOYSA-N 479.375 2.344 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCc2ccc(OC)cc2)CC1 1286469955 PLFOLBZNNQNHDB-UHFFFAOYSA-N 459.554 2.322 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@]2(C)CN(C)C2=O)CC1 1286487260 MDCQKCOZLLXDCZ-QHCPKHFHSA-N 499.413 2.152 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1286821588 PSMQZBDPGCVSTP-UGKGYDQZSA-N 491.633 2.156 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CCC[C@@H](n2cncn2)C1 1286823190 MAGJXKQJWJCQGH-QGZVFWFLSA-N 475.550 2.030 30 10 JEEE CC(C)OCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2([S@@](C)=O)CC2)CC1 1288408251 BDALGRJOQCPSEA-JGCGQSQUSA-N 456.616 2.275 30 10 JEEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCCN1CCCO[C@H](C)C1 1300433081 XTRVKTRMWJONHV-GOSISDBHSA-N 458.994 2.432 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 1300479601 QCXANALBUYLKEO-SFHVURJKSA-N 484.969 2.254 30 10 JEEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc(OC(F)(F)F)cc1 1300509321 JPDXCRKXXFHLMI-HNNXBMFYSA-N 469.489 2.102 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1(C(=O)NCC)CCC1 1300559130 JTWWACUUKRGNMX-UHFFFAOYSA-N 495.653 2.316 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H]2CCCOC2)CC1 1300682441 MCGMWWJDVCQPSO-LJQANCHMSA-N 456.978 2.043 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H](Cc2ccccc2)OC)CC1 1300685420 NHGUCSQOLCDFNI-ZEQKJWHPSA-N 467.614 2.332 30 10 JEEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1301000358 RUNWUXIOEUAYFV-UHFFFAOYSA-N 492.609 2.456 30 10 JEEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1ccco1 1301258098 LBWIMMOCROTVJP-PKOBYXMFSA-N 465.576 2.138 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 1301578108 RZAXEVAORIVPIH-UHFFFAOYSA-N 476.603 2.434 30 10 JEEE CS(=O)(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCCCCC2)C1 1302448559 BHPSFRIRXXDRCV-FQEVSTJZSA-N 473.599 2.437 30 10 JEEE CCCCN(C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1306684019 FOFOVAZLLUNECK-LEWJYISDSA-N 451.575 2.411 30 10 JEEE CCCCn1cc(Cn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@@H](C#N)C2)c(C)n1 1306719886 DIUCPTAROSOFQT-SFHVURJKSA-N 468.587 2.352 30 10 JEEE CCOc1cc(C)nc(N2CCN(c3nnc(-c4cccc(C#N)c4)n3CCC(=O)N(C)C)CC2)n1 1314159386 HNIMYYVEYBZKER-UHFFFAOYSA-N 489.584 2.119 30 10 JEEE C=CCc1cc(CNC(=O)NCc2cccc([C@@]3(C)NC(=O)NC3=O)c2)cc(OC)c1OC 1338271500 SXFDOKQAXREYOR-XMMPIXPASA-N 452.511 2.486 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccc(OCCC)c1 1358890024 KEDVGKYTDRDGOX-GHTZIAJQSA-N 475.615 2.100 30 10 JEEE C#CCN(c1nnc(COCC)n1CCc1ccc(Br)cc1)[C@H]1CCS(=O)(=O)C1 1358967077 CXNPYUNPWDEYLQ-SFHVURJKSA-N 481.416 2.447 30 10 JEEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@]1(O)CCC[C@H]1C 1358981801 XYKCNOZWVRBENW-YIXXDRMTSA-N 460.626 2.267 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2Cc2conc2COC)CC1 1359028278 MSNMUICHSAVJIT-UHFFFAOYSA-N 463.542 2.085 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(Cl)c(OC)c2)CC1 1359044577 JISTXNDLGWYXPW-GOSISDBHSA-N 457.962 2.458 30 10 JEEE C#CCSCCn1c(N2CCC(S(C)(=O)=O)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1359061505 DKUWDQBZQXLXPI-CALCHBBNSA-N 497.687 2.429 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc2c(cc1OC(F)F)OCO2 1359064071 KMJAKTQOIRASMT-YEJXKQKISA-N 497.524 2.259 30 10 JEEE C=C(C)COCCn1c(-c2ccccc2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1359129927 RVAIMWIBXIWSRU-NRFANRHFSA-N 475.615 2.169 30 10 JEEE C=C(C)COCCn1c(-c2ccccn2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1359130383 IJVINADAUKVGFO-UHFFFAOYSA-N 453.591 2.067 30 10 JEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](c2ccc(F)cc2)N(C)C)CC1 1359159527 YCNXEJHBQMTBNJ-QFBILLFUSA-N 450.584 2.487 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 1359189670 RBCSUGMAQNZQLW-UHOSZYNNSA-N 467.636 2.217 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CCCC2)CC1 1359189774 UTBLZETUIXGJOP-HXUWFJFHSA-N 480.679 2.278 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCN1S(C)(=O)=O 1359257243 DLQBXCYYPXYZGA-HXUWFJFHSA-N 472.615 2.131 30 10 JEEE C=CCN(CC=C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@]1(O)CCS(=O)(=O)C1 1359267870 VFVUEWREPLQTKK-QFIPXVFZSA-N 454.556 2.063 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCS[C@@H](C)C1 1359329261 DBHRAYAPZABQFX-HNNXBMFYSA-N 450.586 2.259 30 10 JEEE C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCN1CCN(C)C(C)(C)C1 1359479088 DTFGLGMXCPNBJB-RBUKOAKNSA-N 487.674 2.101 30 10 JEEE CC[C@@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1496224679 ALUHOWPLGJFYCL-LJQANCHMSA-N 478.601 2.459 30 10 JEEE COC(=O)N1CCC(Cn2c(CC(C)C)nnc2N2CCN(c3c(C#N)c(C)nn3C)CC2)CC1 1503887538 FJXKWAJQABMFQI-UHFFFAOYSA-N 483.621 2.195 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC[C@@H](OC)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1507630665 FCWMWIFBJRRWBI-NVXWUHKLSA-N 471.505 2.243 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1ccc(OCC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1507635777 VIQHBZVDDXAROL-OAQYLSRUSA-N 495.605 2.346 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H]1CCCN(C(C)=O)C1 1507711783 ZLNKGCOPRYUXET-UGKGYDQZSA-N 453.543 2.135 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCCN2C[C@@H](C)C[C@@H](C)C2)CC1 1507738805 ZFLGXFHPAGFUIJ-BGYRXZFFSA-N 464.618 2.069 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)CC)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1507802428 BWVIIAFOWFHJAJ-BQJUDKOJSA-N 481.663 2.404 30 10 JEEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1507951927 JIOUDMFKYLJYJC-UHFFFAOYSA-N 476.578 2.017 30 10 JEEE C=CCCOCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCCN(CC)C(=O)C1 1507967059 GSPJPFKXVSTCOW-UHFFFAOYSA-N 468.606 2.103 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCC(=O)N2)n1CCc1ccc(S(N)(=O)=O)cc1 1508006605 IHGSGWMBNZKBPV-IBGZPJMESA-N 486.623 2.373 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@H]2CCS(=O)(=O)C2)C1 1508126371 HQYNBVXMTMHSTC-XLIONFOSSA-N 462.572 2.082 30 10 JEEE CCC[C@@](C)(O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1514241667 CNMDFOIZPOVMMR-RUZDIDTESA-N 465.602 2.259 30 10 JEEE CCN1C[C@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)CC)C[C@@H]1C 1515818695 FALRLVKCTBJVTC-ROUUACIJSA-N 460.604 2.082 30 10 JEEE CC(=O)N1CCc2c(sc(NC(=O)c3ccc4c(c3)CCCN4S(C)(=O)=O)c2C#N)C1 1533469455 AFVMZEUOQABZPG-UHFFFAOYSA-N 458.565 2.489 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCCN(C)S(=O)(=O)CC 1539003520 OOHYURDRTZISIV-SFHVURJKSA-N 499.641 2.365 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)c1ccc(F)cc1 1539017050 XJUGIYYPFCBLME-QFBILLFUSA-N 463.579 2.186 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2C[C@](C)(O)CCOC)CC1 1539446153 SCTOLSGJGQGHEE-XMMPIXPASA-N 450.543 2.143 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@](C)(O)CC)CC1 1539468212 BQJFWCLPPZHUBE-NRFANRHFSA-N 477.407 2.173 30 10 JEEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1539706777 SSKRJCQUXZCJKP-SQNIBIBYSA-N 460.579 2.125 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1539751215 INZJPCIIJZPEIR-MOPGFXCFSA-N 497.662 2.466 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCSC(F)(F)F)CC1 1539847469 GEFHDQDEKSZGJB-CYBMUJFWSA-N 455.528 2.020 30 10 JEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](Cc2ccccc2)C1 1540005505 LWXKPQUVNUNKKF-RTWAWAEBSA-N 475.615 2.025 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCOCC1(C)C 1540129147 SICCDBNVULSTTI-JOCHJYFZSA-N 498.653 2.355 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1540902670 OETBVSBYTMSVAP-FQEVSTJZSA-N 479.647 2.002 30 10 JEEE Cn1cnc(C(=O)N2C[C@@H](C(N)=O)[C@H](C3CCN(c4ccc(C#N)c(C(F)(F)F)c4)CC3)C2)c1 1548384190 QIVRWYBAVSJTNG-ZWKOTPCHSA-N 474.487 2.401 30 10 JEEE CN(CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@](F)(C#N)C1)CC(F)(F)F 1554291168 IFRFXFKXSLYDDB-FQEVSTJZSA-N 478.454 2.128 30 10 JEEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCN(C(C)C)CC2)C[C@@H](C)O1 1555388506 HDGCWXKRVRTAQD-KNQAVFIVSA-N 468.602 2.292 30 10 JEEE C#CCCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1587834744 FEZQGBCOMMRMLU-GOSISDBHSA-N 466.542 2.239 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1Cc1c(C)nn(C)c1C)[C@H]1CCS(=O)(=O)C1 1588059802 VKSLLSLIBDIPBJ-KRWDZBQOSA-N 488.564 2.172 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CC(C)(C)c1ccccn1)[C@H]1CCS(=O)(=O)C1 1588064343 GLYVMJAXKNVSPG-FQEVSTJZSA-N 464.595 2.263 30 10 JEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@](C)(O)CCC(C)C 1588125054 ZNTBKVKXCKMQTK-HSZRJFAPSA-N 456.616 2.498 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCOC[C@@H]1C 1588473685 RKLYTZAFTBKVTP-JENIJYKNSA-N 463.579 2.340 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(F)cc2Br)n1CCS(=O)(=O)CC 1588612918 MLTZPGQZFXPTPO-UHFFFAOYSA-N 473.368 2.367 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCN(C)Cc2ccc(F)cc2)CC1 1588750891 GSWBZYAOMJOGJW-SANMLTNESA-N 484.620 2.345 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCCC(F)(F)F)CC1 1588908286 NDJSEMVZGNPPEJ-UHFFFAOYSA-N 487.490 2.229 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)CC(C)C 1589545582 NVTRMTRUIWIMBD-QRVBRYPASA-N 455.625 2.075 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1cccs1)C[C@H]1CCCO1 1593637146 YKHILNOOMPLSHI-IEBWSBKVSA-N 481.644 2.434 30 10 JEEE C=C(Cl)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1593923776 RPEZPGDMNKFLNX-UHFFFAOYSA-N 479.368 2.190 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(Cl)cc1F 1595302856 FRWUJCZJHPATCP-GOSISDBHSA-N 487.985 2.091 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1595789662 ZGVOQKHEFYBGLT-JOCHJYFZSA-N 479.603 2.248 30 10 JEEE C=CCSCCn1c(-c2noc3c2COCC3)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1595871011 CJRKOQLHYCVQAB-ZDUSSCGKSA-N 486.520 2.430 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC[C@@H](C)N1CCCCC1 1608578937 HYTFZXFOTYYVKQ-WOJBJXKFSA-N 494.648 2.058 30 10 JEEE Cc1noc(C)c1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1612635326 GVJCSWPBDWFADM-UHFFFAOYSA-N 499.597 2.242 30 10 JEEE CCN(CC)C(=O)CCC1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nnn(C)n2)CC1 1615310482 HCXGXNZVILYCBI-UHFFFAOYSA-N 476.589 2.254 30 10 JEEE C#C[C@H](NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c1ccccc1Br)C(C)(C)C 1641836211 YPOVYOBUKKZOND-HOTGVXAUSA-N 457.390 2.146 30 10 JEEE C=CCN1C(=O)C(=O)N(CC(=O)NCC[C@@H]2CN(C(=O)OC(C)(C)C)c3ccccc32)C1=O 1643590310 SPNPPGSEBYTKPF-OAHLLOKOSA-N 456.499 2.008 30 10 JEEE C#CCN1CCC[C@H](NC(=O)[C@H](CCSC)NS(=O)(=O)c2ccc3ccccc3c2)C1 1644638583 VANZXMQSLPPEDR-UNMCSNQZSA-N 459.637 2.454 30 10 JEEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 1689943671 ZCSWHVODAGZNON-REWPJTCUSA-N 469.561 2.446 30 10 JEEE C#CCN(C)c1nnc(Cc2ccccc2OC)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1689969270 QWKGBNGGOIIPRW-UXHICEINSA-N 457.600 2.151 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CCCN1C[C@H](C)C[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1689993542 GOIZFNSLELDAQK-MQSCRBSSSA-N 484.670 2.259 30 10 JEEE C#CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1[C@@H]1C[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1689998214 FWSJCOYITDBTCK-QXDIGNSFSA-N 463.604 2.256 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc([C@H](C)O)cc2)CC1 1690131985 CDOZFQQBWWDDNO-SFHVURJKSA-N 464.595 2.126 30 10 JEEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1690163682 NNYQKHRLMWGPPT-IBGZPJMESA-N 493.641 2.418 30 10 JEEE C=C(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1690273220 IVHGBODXHYOGGY-IBGZPJMESA-N 493.033 2.442 30 10 JEEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)NCc2ccc(C)c(F)c2)CC1 1690274860 GRMPQMHZUHRIMG-QGZVFWFLSA-N 492.621 2.445 30 10 JEEE C=C(Cl)Cn1c([C@H](C)OCCOC)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1690330494 IMFMJPUBYLQLHL-INIZCTEOSA-N 487.985 2.405 30 10 JEEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(c2nc(C)ns2)CC1 1690465089 RLYCODDVORFLJK-KRWDZBQOSA-N 465.649 2.413 30 10 JEEE C=CCN(CC=C)c1nnc(Cn2ccc3ccccc32)n1CC1(O)CCS(=O)(=O)CC1 1690601231 UUXPYZCRWMOEOH-UHFFFAOYSA-N 455.584 2.399 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@]2(O)CCN(C)C2)C1 1690700682 WBJXSNIMUCGKCV-UMEGOILYSA-N 490.649 2.241 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC(NC(C)=O)CC1 1690715772 UVKDPRWWZMWFRH-INIZCTEOSA-N 479.578 2.263 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC(Oc2cc(C)ccn2)CC1 1690722658 QXSXEJBPGWLYJJ-UHFFFAOYSA-N 469.571 2.087 30 10 JEEE C#CCCCn1c(CCc2ccc(OC)cc2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1705537221 XRVFPDPRZZDGJY-PXDATVDWSA-N 478.641 2.474 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H](C)Oc1ccccc1OC)[C@H]1CCS(=O)(=O)C1 1705563944 IFPKFJMABAUQNT-OALUTQOASA-N 481.578 2.443 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CC[C@@H](C)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1705570137 NCKHUPMPEIFDPB-IFMALSPDSA-N 470.643 2.155 30 10 JEEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(c2ccccc2C)CCOCC1 1705574281 ZKYIBVJWHCFVDR-FQEVSTJZSA-N 469.611 2.018 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H](C(C)C)N2CCCC2)CC1 1705633886 AYRWNZXNFFYVIL-HSZRJFAPSA-N 484.670 2.224 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2Cc2cccc(C(=O)N(C)C)c2)CC1 1705644208 IZKZNNPSLQXPJJ-UHFFFAOYSA-N 450.587 2.292 30 10 JEEE C=C(Cl)Cn1c(Cc2csc(C)n2)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 1705756947 UFCKMBCSDJWMTO-UHFFFAOYSA-N 489.067 2.263 30 10 JEEE C=CCCCn1c(C(=O)NC(CC)CC)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1705810847 JLHBEQIZAPEGCB-GHTZIAJQSA-N 459.639 2.152 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1705895387 FGDIOHZQWNEZPQ-INIZCTEOSA-N 482.404 2.023 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1705898169 CTBAFWQTFWDDJS-HXUWFJFHSA-N 493.337 2.180 30 10 JEEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)N2CCCC2)CC1 1705950299 WULJKBPFXPBRNC-OALUTQOASA-N 464.636 2.259 30 10 JEEE CC(=O)NCC1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(C)n(C)c2=O)CC1 1706043906 CBKGTHRZTARATP-UHFFFAOYSA-N 459.554 2.225 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2C[C@H](C)CN2CCOCC2)c1 1722307333 VDPULZKCEGIQKD-DENIHFKCSA-N 466.586 2.154 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1CC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1722364350 KZITZGPOTIWJMO-KRWDZBQOSA-N 496.431 2.099 30 10 JEEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CC1(C)CCCC1)[C@H]1CCS(=O)(=O)C1 1722365414 NVKKFTHDEFEBOY-PGRDOPGGSA-N 450.605 2.137 30 10 JEEE C#CCN(c1nnc(COCC)n1C[C@H]1CCCN1Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1722369533 AOPYSTREHYRPJL-FGZHOGPDSA-N 471.627 2.106 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@H](C)c1nc(C)cs1)[C@H]1CCS(=O)(=O)C1 1722370399 BTRRDEQMNOQFLW-KXBFYZLASA-N 487.655 2.335 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@](C)(OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1722370808 QQBFOZCYRJLCBE-JPYJTQIMSA-N 476.574 2.438 30 10 JEEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1CCc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1722372158 QLVYYWSESPZULV-FQEVSTJZSA-N 497.646 2.447 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1c(F)cccc1OC(F)F 1722384847 YMRMXXVODZKXDH-CQSZACIVSA-N 452.458 2.042 30 10 JEEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1722455029 RBAFKAJHGHIAKU-UHFFFAOYSA-N 476.050 2.350 30 10 JEEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)Cc2cccc(OC)c2)CC1 1722464298 AZCBHPRQGLVHHC-OAQYLSRUSA-N 469.611 2.396 30 10 JEEE C=C(C)CN(CC)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1722500580 SJXXXUZTSUXZGD-OALUTQOASA-N 458.586 2.263 30 10 JEEE C=C(C)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 1722524182 RVLXRMHEKXCGQB-OAQYLSRUSA-N 491.614 2.244 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1722535976 BAMCQRIUMVFEAB-GBESFXJTSA-N 495.646 2.076 30 10 JEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1722739995 ZPXJVJSBNQEEDO-AWEZNQCLSA-N 485.573 2.122 30 10 JEEE C=CCSCCn1c(Cc2ccccc2F)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1722741879 ZGEGPFIHPIDJNQ-QGZVFWFLSA-N 470.578 2.459 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1CCc1cccc(C(=O)N(C)C)c1 1740646559 DOTDTCCFKXTXRW-AREMUKBSSA-N 463.582 2.338 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(F)ccc2Br)n1CCC(=O)N(C)C 1740680455 BWPQVAWORGCCPC-UHFFFAOYSA-N 452.328 2.411 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(OCC)c(OC)c2)CC1 1740704299 LMRQLHXDXLFWMR-UHFFFAOYSA-N 475.553 2.157 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2C[C@H](C)N(C)C)CC1 1740704904 VXIPVRHZHZBGOY-IBGZPJMESA-N 460.586 2.047 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1740778485 GOOCHCXJSBRFCS-NRFANRHFSA-N 499.641 2.490 30 10 JEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)CCc2ccccc2)CC1 1740793668 VWWNLQJIESIVKS-JOCHJYFZSA-N 480.613 2.493 30 10 JEEE C=CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1740880191 WZEMIRRXNYWFIM-UHFFFAOYSA-N 490.659 2.382 30 10 JEEE C=CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC(C)(C)N1CCOCC1 1740897734 SDPYHVMGXVDWFC-UHFFFAOYSA-N 451.575 2.408 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1740964587 RBMVRHHFXXTVOR-HXUWFJFHSA-N 468.602 2.157 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(OC)cc2F)C1 1740980969 NFHBYZXDKHGBKZ-SJLPKXTDSA-N 450.536 2.158 30 10 JEEE C[C@H]1CN(CCN(C)c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)CN2CCOCC2)C[C@@H](C)O1 1741876161 CBJRRYFPKMVOKH-VSKRKVRLSA-N 481.645 2.330 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cc(F)ccc1N1CCOCC1 1748638182 KJUXJSMDUVOTAF-KRWDZBQOSA-N 463.517 2.407 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H]1CCCN(C(C)=O)C1 1748665487 RORDOWXQHYQLHD-IEBWSBKVSA-N 461.570 2.391 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccccc1CN1CC[C@@H](O)C1 1748689385 BMAJALVPDKCNLB-MSYGRNIXSA-N 453.587 2.075 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCCN(C(C)C)C1 1748957094 URBVRACZARAYQK-HXUWFJFHSA-N 463.590 2.127 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCN2CCCC(C)(C)C2)CC1 1749003821 XCCYXZDNJQQFPL-AREMUKBSSA-N 486.661 2.018 30 10 JEEE C#CCSCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1749023784 WOHPGOAJGXLPKV-FUHWJXTLSA-N 486.573 2.396 30 10 JEEE C#CCSCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1749026804 QLXHRCNZRUBFDJ-FQEVSTJZSA-N 473.599 2.059 30 10 JEEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCN(c2nc(C)cc(OCC)n2)CC1 1749049953 UCHUQLKKEQRVMU-GOSISDBHSA-N 457.604 2.320 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccnc2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1749126709 GDNJDPDJJMYLHT-FYYLOGMGSA-N 467.618 2.312 30 10 JEEE C=C(C)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1749200738 OZWRDLVQRDXLKY-GOSISDBHSA-N 450.547 2.180 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1749655337 IDBJBHXBJYARRO-SFHVURJKSA-N 490.555 2.397 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCC(F)(F)C1 1749667420 ZZCZKNRUUKUZFF-UHFFFAOYSA-N 457.485 2.213 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(NC(N)=O)cc2)C1 1749721637 QADINJSIJPGWAC-IHPCNDPISA-N 456.547 2.322 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1749738403 MCUXORMIDOQFHY-SFHVURJKSA-N 451.637 2.305 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1749738625 SDVCEFLTKLOAFE-FQEVSTJZSA-N 487.626 2.358 30 10 JEEE CC(=O)N1CCN([C@@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCOC(C)C)C[C@@H]2C)CC1 1749886287 YZMSBHCYNVLXFG-WMZHIEFXSA-N 465.602 2.231 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2c(C)coc2C)c1 1760128607 NJFLYCOFAUBQPL-IBGZPJMESA-N 481.578 2.495 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H](C)Oc1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 1760189112 NQLPTCCXFLTCGU-ROUUACIJSA-N 469.567 2.376 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCN1C[C@H](C)O[C@H](C)C1 1760202030 QNBJIYFQGFXBFC-OYRHEFFESA-N 487.608 2.247 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCCCCO)CC1 1760259529 MZBCCBDDZHAFHE-FQEVSTJZSA-N 460.623 2.310 30 10 JEEE C#CCN1CCN(c2nnc(-c3nn(CCC)c(=O)c4ccccc34)n2CCCOCC)CC1 1760259854 HXPKOXKQYBWUNO-UHFFFAOYSA-N 463.586 2.247 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2cc(F)ccc2OC)CC1 1760261527 SSVFROMUYGUFHU-UHFFFAOYSA-N 468.558 2.221 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCN(C)c2ccccc2F)CC1 1760389901 WMXVQRHTQRFUHV-OAQYLSRUSA-N 492.621 2.433 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCOC2)n1C[C@H]1CCCN1S(C)(=O)=O 1760498705 BPRUMSCBDAXRLD-LEWJYISDSA-N 459.616 2.441 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1760522752 DDMRCOIKVSCOEE-KRWDZBQOSA-N 470.578 2.121 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1760524546 AOAUNBPOJJKGPF-UHFFFAOYSA-N 467.643 2.483 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2cc(C)nn2C)C1 1760540040 ZYTISAKWBIWDRC-LJQANCHMSA-N 456.572 2.220 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 1760549030 VFVGQSKTOHEHLO-CVEARBPZSA-N 452.581 2.477 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(C(=O)c2ccc(C)cc2)CC1 1760552672 XGEUWRUAXUVZEA-UHFFFAOYSA-N 480.594 2.212 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@H](c1ccco1)N(C)C 1761466112 HGXUROYKYDOOPB-QFBILLFUSA-N 471.587 2.292 30 10 JEEE CCC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(c3cc(C#N)ccn3)CC2)CCCC1 1764398535 APKIMXKYSLXCQZ-GOSISDBHSA-N 486.646 2.452 30 10 JEEE COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CCO)cc(OC)c1OC 1862635836 SUKXZFTYIHBPNU-IBGZPJMESA-N 457.435 2.012 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@H]2c2ccc(O)c([N+](=O)[O-])c2)cc1 1862690306 MGLWZSJNWYIKCV-IBGZPJMESA-N 455.423 2.023 30 10 JEEE CC(C)(C)OC(=O)N(CCC(=O)N[C@H](CO)C(=O)Nc1cccc(C#N)c1)Cc1ccccn1 1867081177 TVBQNIFVVBFGEM-HXUWFJFHSA-N 467.526 2.196 30 10 JEEE CC(C)(C)OC(=O)N(CCC(=O)N[C@@H](CO)C(=O)Nc1ccc(C#N)cc1)Cc1cccnc1 1867084974 LHPAFGXCIKYRKB-FQEVSTJZSA-N 467.526 2.196 30 10 JEEE COc1ccc(-n2nnc(C#N)c2NC(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)cc1Cl 1870142707 JEXCBBJMJFARAF-NSHDSACASA-N 450.842 2.424 30 10 JEEE CCOc1ccc(-n2nnc(C#N)c2NC(=O)c2ccc(N3C[C@@H](C(=O)O)CC3=O)cc2)cc1 1870150710 HPOXXXGPDKUWKI-HNNXBMFYSA-N 460.450 2.227 30 10 JEEE CCCc1nnc(SCC(=O)OC)n1/N=C/c1ccc(OCCN2CCOCC2)c(OC)c1 1874508276 UUDGWNMYIRHYHL-HZHRSRAPSA-N 477.587 2.098 30 10 JEEE CCN1CCN(CC#CCOC2CCN(S(=O)(=O)c3cc(Cl)ccc3F)CC2)CC1 1890486161 KCDBMXZXODIYIP-UHFFFAOYSA-N 457.999 2.290 30 10 JEEE COc1ccc(N2C[C@@H](C(=O)N3CCC(N(C)c4cc(C#N)ccn4)CC3)CC2=O)cc1OC 1891216857 BVARWCHPQJDACM-SFHVURJKSA-N 463.538 2.451 30 10 JEEE C#CCNC(=O)C[S@](=O)C(C)(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 2019031401 KAZBSCZPBJHVNU-JXNPFXPLSA-N 482.558 2.255 30 10 JEEE CC(C)(C)OC(=O)N[C@]1(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C[C@@H](O)C1(C)C 2073260010 XFQSOXYTAXKPEO-KIMHZCHSSA-N 452.552 2.012 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CCS(C)(=O)=O)C(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1 2124534765 UBAQTKMBIGPKBP-MRXNPFEDSA-N 472.413 2.105 30 10 JEEE C#CCN(C(=O)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)[C@@H]1CCS(=O)(=O)C1 2180103428 DHQOQMQOLIPYCC-OAQYLSRUSA-N 489.638 2.195 30 10 JEEE CC(C)(C#N)CS(=O)(=O)NC1CN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)C1 2250344637 VFVVAEYSHDUHQQ-UHFFFAOYSA-N 460.597 2.312 30 10 JEEE CC(C)(C)OC(=O)N1CC([S@@](C)(=O)=NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)C1 2255634909 VGUNCQBQTJENKM-WJOKGBTCSA-N 471.410 2.300 30 10 JEEE CN(C[C@@H](O)COCc1ccccc1)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2255753707 VKIGUGAANOVIQD-QGZVFWFLSA-N 467.418 2.246 30 10 JEEE CN1CCN(C(=O)OC(C)(C)C)[C@@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2267129030 WKMKLNJBZWLUCW-INIZCTEOSA-N 465.425 2.328 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCCN(C)Cc1ccccc1 2267464172 GJEKHJJAEYZZPF-UHFFFAOYSA-N 460.405 2.405 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CN(C(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)CC[C@H]1CO 2267592367 MAGCDQADVAQTHQ-HOCLYGCPSA-N 466.409 2.395 30 10 JEEE C[C@@H]1CC[C@H](NC(=O)C(F)(F)F)CN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2267717337 BIXILNLJUCZDPU-YPMHNXCESA-N 482.355 2.267 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(CCNC(=O)OC(C)(C)C)CC1 2281962966 GNQCIWSBRSDNLI-UHFFFAOYSA-N 480.440 2.033 30 10 JEEE Cc1nn(C)c(C(=O)N2CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2281981877 JRKPLWINBJIFLG-GOEBONIOSA-N 462.400 2.403 30 10 JEEE CC(C)(C)OC(=O)N1[C@H](CNC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)C[C@H]2OCC[C@@H]21 2282021756 PKTUEXNBCHEVJW-CWRNSKLLSA-N 479.408 2.339 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](CO)[C@@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2282174434 FXYKKNHASOYBAG-HKUYNNGSSA-N 460.380 2.334 30 10 JEEE C[C@H]1CC[C@@H](NS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CN1C(=O)OC(C)(C)C 2282351362 ZLBAHQDOVIPYTE-DOTOQJQBSA-N 481.424 2.447 30 10 JEEE Cn1ncc(C(=O)N[C@]23CCCN(C(=O)OC(C)(C)C)C[C@@H]2C3)c1B1OC(C)(C)C(C)(C)O1 2282574777 TWQLGABPWIAQBQ-WNSKOXEYSA-N 460.384 2.239 30 10 JEEE CN(CCN1CCN(C(=O)OC(C)(C)C)CC1)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)o1 2282622193 CBZNDTDPRBGBIO-UHFFFAOYSA-N 463.384 2.204 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](NS(=O)(=O)c3cncc(B4OC(C)(C)C(C)(C)O4)c3)[C@H]1C2 2282864106 ZCMSLBQYJUXSKO-BMGDILEWSA-N 479.408 2.057 30 10 JEEE Cc1nc(NC(=O)C[C@@H]2COCCN2C(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2283950634 NEEVRIONZUMRIJ-OAHLLOKOSA-N 462.356 2.049 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N2Cc3cccc(B4OC(C)(C)C(C)(C)O4)c3C2)C1 2283951142 TUEOAUNRJFGJHZ-IBGZPJMESA-N 458.364 2.464 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)N1CCc2cccc(B3OC(C)(C)C(C)(C)O3)c2C1 2283976994 KQDUYDQISOZVRV-KXBFYZLASA-N 460.380 2.145 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)CC[C@@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2284060394 MIHGQENSVIBKDT-GOEBONIOSA-N 465.331 2.219 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H](C(=O)NCc2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2284067831 TYEXBYLEVNTDSF-MSOLQXFVSA-N 460.380 2.220 30 10 JEEE CC(C)(C)OC(=O)N1[C@H]2CCO[C@H]2C[C@@H]1C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2359385307 LHZAUPJIHPIUSJ-ZNMIVQPWSA-N 479.408 2.225 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@]2(C(=O)NCc3cnc(B4OC(C)(C)C(C)(C)O4)s3)CO[C@H]1C2 2359392926 XPPMIYZHMGGJPZ-ZCCHDVMBSA-N 479.408 2.131 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2CCC[C@H]2NC(=O)OC(C)(C)C)n1C 2362336689 SPUJSXQENNBINV-JKSUJKDBSA-N 462.400 2.451 30 10 JEEE CN[C@@H](C#Cc1cccc(Br)c1)C1(S(C)(=O)=O)CN(C(=O)OC(C)(C)C)C1 2379894229 STZLJCFXTJXRCS-INIZCTEOSA-N 457.390 2.423 30 10 JEEE Cc1ccc(C)c(NC(=O)CSc2nnc(N/N=C/c3cc([N+](=O)[O-])ccc3O)n2N)c1 20527425 XTDKGFVZCAUFFR-ZVBGSRNCSA-N 456.488 2.399 30 10 JEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NC[C@@H](c2ccco2)N2CCCC2)CC1 27358589 BORFHBOLUIVOLF-IBGZPJMESA-N 457.556 2.004 30 10 JEEE COc1cccc(CNC(=O)CSc2n[nH]c(N/N=C/c3ccc(O)cc3O)n2)c1OC 58994140 ZRMMCUIQTQQJOE-LSHDLFTRSA-N 458.500 2.088 30 10 JEEE C#CCN(C(=O)c1cc(S(=O)(=O)Nc2cccc(C)c2)ccc1C)[C@@H]1CCS(=O)(=O)C1 729331426 OVLDISPYQRUUOT-LJQANCHMSA-N 460.577 2.367 30 10 JEEE C#CCN(CC(=O)O)C(=O)[C@H]1CO[C@H](CNC(=O)OCC2c3ccccc3-c3ccccc32)C1 757489533 HZIOHLIAOSLCGD-MSOLQXFVSA-N 462.502 2.477 30 10 JEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@@H](Oc3ccnc(CN(C)C(C)C)c3)C2)c1 856662516 VUSLMCWRAOPGGW-JOCHJYFZSA-N 470.595 2.127 30 10 JEEE N#Cc1ccc(-n2ccc(NC(=O)N[C@H]3CCCN(CCN4CCOCC4)C3)n2)c(Cl)c1 1202434322 FHJNBNPYGROOGM-SFHVURJKSA-N 457.966 2.315 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CCC[C@@H]1NC(=O)NC1=O 1286281159 DKBNLMJBBOQTMJ-DOMZBBRYSA-N 475.347 2.162 30 10 JEEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(CN2CCO[C@H](C)C2)c1 1286358445 GLLCDRWZBPSJFI-LJQANCHMSA-N 459.554 2.264 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1CC(C)(C)N1CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1286398378 JRJLVGHUTZYUBS-HSALFYBXSA-N 463.648 2.267 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCS(=O)(=O)NC(C)C)CC1 1286474647 IQBMSGHBYZRIIK-UHFFFAOYSA-N 485.441 2.335 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@]1(N(C)C)CCC[C@H](C)C1 1286517789 VZNVWMHOFHZCOE-MOXQZVSFSA-N 450.653 2.391 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc[nH]2)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1286564197 XGYFBFKTMJBYFL-BJLQDIEVSA-N 463.604 2.284 30 10 JEEE C=C(C)COCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1286600478 NWRNUYCIHKFPLN-IBGZPJMESA-N 487.992 2.010 30 10 JEEE C=CCCCCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1286688564 CRLVOZDZWXUBSD-UHFFFAOYSA-N 478.601 2.046 30 10 JEEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1286777078 YUUXLFVTKHRYFT-UHFFFAOYSA-N 486.623 2.275 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 1286789816 XBDDAERBQYZQAU-SFHVURJKSA-N 469.521 2.395 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCC(=O)NCc2ccccc2)C1 1286798718 NLELAQKFNPRFMW-HXUWFJFHSA-N 452.559 2.002 30 10 JEEE C=CCS(=O)(=O)CCn1c(CSc2ccc(C)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1286822203 AHRVXGOYYULKDF-GOSISDBHSA-N 484.669 2.103 30 10 JEEE C=CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1286831510 HEBVGMHKQZTTLD-KURKYZTESA-N 492.646 2.221 30 10 JEEE CC[C@H](C)[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1)OC 1291406859 CZQRJZRCQIZVCT-KJNZLNQQSA-N 490.630 2.399 30 10 JEEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(Oc2cccc(F)c2)nc1 1300430136 HZPOEZUNUXOJTQ-HNNXBMFYSA-N 458.519 2.332 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@]1(O)CCC[C@@H]1C 1300575201 SSNRGARWFNGYDD-FDDCHVKYSA-N 454.600 2.252 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCNC(=O)[C@H](C)CCC)CC1 1300685468 OOTYOUPXNAXGMH-MRXNPFEDSA-N 476.423 2.343 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CCNC(=O)C(C)C 1300873410 JFHUPGXZMGUMSG-HKUYNNGSSA-N 455.563 2.115 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CC(=O)N[C@@H]3CCCC[C@@H]32)cc1 1301519879 AGUPEAVPQOCGID-UXHICEINSA-N 452.559 2.277 30 10 JEEE C=CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC(S(C)(=O)=O)CC1 1301615287 JZADXNAUEXBFDO-UHFFFAOYSA-N 460.629 2.449 30 10 JEEE C#CCN1CCC(NC(=O)c2cccnc2SCC(=O)Nc2ccc3c(c2)OCO3)CC1 1303791378 XMXWLTXPTKZEJI-UHFFFAOYSA-N 452.536 2.369 30 10 JEEE C[C@@]1(C#N)CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2cccc(F)c2F)C1 1303939165 ACQUDEQKGQAFIR-GCJKJVERSA-N 494.568 2.262 30 10 JEEE CO[C@]1(C)CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2(C(N)=O)CCOCC2)CC1 1315242117 GJHYIJNJGAQVHA-HSZRJFAPSA-N 452.559 2.494 30 10 JEEE COc1ccccc1-c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCCC(=O)N(C)C 1315606001 AFCWPGSWUXQQMA-UHFFFAOYSA-N 491.600 2.062 30 10 JEEE COCC[C@](C)(O)Cn1c(-c2cnccn2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1315966350 FMDUDDLAWVRCJN-QHCPKHFHSA-N 482.976 2.374 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CC(F)(F)CO1 1358877186 YMNBCTVIHQFOGQ-GDBMZVCRSA-N 453.515 2.078 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(OCCOC)CCOCC1 1358878214 SNKXNADVYDCMDB-GOSISDBHSA-N 476.599 2.019 30 10 JEEE C#CCCCn1c(-c2cccn2C)nnc1N1CCC(CC(=O)N2CCN(CC)CC2)CC1 1358926543 SLJSBRGXQWRDPN-UHFFFAOYSA-N 451.619 2.468 30 10 JEEE C#CCN(c1nnc(CCCc2ccccc2)n1CCc1ccn(C)n1)[C@@H]1CCS(=O)(=O)C1 1358966218 JZDQKPMFIDVHAA-JOCHJYFZSA-N 466.611 2.056 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C1CCCCC1)N(C)C 1359064778 ZQVVQYSITLQOCI-LRXVAGHRSA-N 450.653 2.391 30 10 JEEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2ccc(Cl)nc2C1 1359076591 GRRXDDWZMGYGRX-LLVKDONJSA-N 475.800 2.408 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](c2nc(C)cs2)C1 1359327144 TTXLJVOTVWTHOP-INIZCTEOSA-N 466.633 2.166 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@H](C)[C@H](OC)C1 1359329767 UCRHDCCLHYWPNB-OXQOHEQNSA-N 464.588 2.424 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccc(C)c(C)c2)CC1 1359331341 WAEULOOJADXUKR-UHFFFAOYSA-N 469.615 2.223 30 10 JEEE C=CC1(CC(=O)NCc2cccnc2N2CCC(C(N)=O)CC2)CN(C(=O)OC(C)(C)C)C1 1464942362 CDNVYRQIJFSAGU-UHFFFAOYSA-N 457.575 2.213 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CCCC3)n2C[C@H]2CCS(=O)(=O)C2)c1 1507550468 LIZAVKNFUZTRAH-GOSISDBHSA-N 455.584 2.427 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(O)CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1507626103 DAAZBXOFWRDYNM-YKSBVNFPSA-N 467.595 2.385 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CC[C@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1507629106 RIJQACSHRIZHEW-OALUTQOASA-N 464.975 2.031 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CCC[C@@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1507634764 MIDVGMHXRXVFDH-RTWAWAEBSA-N 457.600 2.240 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C 1507644069 BRNDPNHNVGQDPN-SFHVURJKSA-N 475.557 2.249 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(=O)NC1CCCCC1 1507663305 WUYGSDLVBLNIQD-UHFFFAOYSA-N 467.595 2.260 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H]2CCCCO2)CC1 1507716601 RZTKXPGGVDIJQV-HXUWFJFHSA-N 456.978 2.186 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[C@H]2CCCCO2)CC1 1507719640 DJQHBKFZBOSFPW-HXUWFJFHSA-N 457.600 2.063 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cn4ccccc4n3)n2CC(C)(C)COC)CC1 1507739431 HQWPRASTFTZGEB-UHFFFAOYSA-N 463.586 2.155 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](c1ccsc1)N(C)C 1507763345 APUVLNBWEWTYDS-WRWLIDTKSA-N 450.634 2.245 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@H]1C[C@H](OCC)C1(C)C 1508083872 DIKHWJBJVKGHJY-OALUTQOASA-N 451.575 2.459 30 10 JEEE C=CCOc1ccc(Cn2c(Cn3nc(C)cc3C)nnc2N2CCO[C@H](CNC(C)=O)C2)cc1 1508105535 QVKZBJFYIDYTEP-HSZRJFAPSA-N 479.585 2.094 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1508136046 QYXRSOZJEVWTGC-HXUWFJFHSA-N 451.980 2.162 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CC[C@H](N1CCOCC1)C(F)(F)F 1539039192 ZOQFHMXGAIGFTQ-OWSLCNJRSA-N 459.513 2.113 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1ccc(N(C)C)cc1C)[C@H]1CCS(=O)(=O)C1 1539212340 VFSJBVHBKGNBJH-NRFANRHFSA-N 464.595 2.390 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H](N1CCOCC1)C(F)(F)F 1539251640 LNOLAEAVCBBJAL-IBGZPJMESA-N 461.444 2.010 30 10 JEEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1CCc1ccc(OCC(F)(F)F)nc1 1539377103 LBDAIVYYMZFGEV-UHFFFAOYSA-N 450.465 2.439 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H](OC)C(C)C)CC1 1539428288 OUECJZIDBGCHSK-HXUWFJFHSA-N 458.994 2.288 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](c2ccco2)N(CC)CC)CC1 1539482176 RMKORBPMWYUENU-RTWAWAEBSA-N 468.602 2.424 30 10 JEEE C=C(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1539694731 LEQCDXFVFPCWEZ-UHFFFAOYSA-N 461.570 2.333 30 10 JEEE C=C(C)COCCn1c(CCc2ccc(OC)cc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1539757958 FJIBMYFGXJZTPK-HXUWFJFHSA-N 454.575 2.221 30 10 JEEE C=CC[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H](C)C(=O)NC)c1ccccc1 1539940692 UTZDSNRVCRZVDU-MISYRCLQSA-N 459.616 2.358 30 10 JEEE C=CCn1c(C2CCCC2)nnc1N1C[C@@H]2[C@H](C1)[C@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1540857293 NJNQKIXFJHJDRK-BRWVUGGUSA-N 451.593 2.248 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1540900403 UPUKYZXKTTZIIR-BSRJHKFKSA-N 471.583 2.190 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1540907459 XOCGCMSOCFRNDJ-UHFFFAOYSA-N 473.647 2.345 30 10 JEEE CC(C)(C)Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCCN1CCOC1=O 1541183372 AKWIHPNMEXNFIF-UHFFFAOYSA-N 452.563 2.302 30 10 JEEE N#Cc1cccc(-c2nnc(N3CC[C@H](C(=O)NCC(F)(F)F)C3)n2CCCC(=O)NC2CC2)c1 1555986101 FCVGZVAJKSFWAT-KRWDZBQOSA-N 489.502 2.380 30 10 JEEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C(=O)OCC)c2ccc(OC)c(F)c2)c1 1556246392 YFTPFZDPHQHAFW-LJQANCHMSA-N 450.488 2.333 30 10 JEEE C#CCN(c1nnc(C(C)C)n1C[C@H](C)CNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1588030206 QSVOIYOLFMFWGC-IAGOWNOFSA-N 453.609 2.189 30 10 JEEE C#CCN(c1nnc(-c2ccc(Br)cc2)n1C[C@@H](F)COC)[C@@H]1CCS(=O)(=O)C1 1588040584 OSTVXXDYXDSLOO-IAGOWNOFSA-N 485.379 2.319 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CC2CCOCC2)CC1 1588763391 XEKSSRSGHTZIFT-UHFFFAOYSA-N 455.559 2.153 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1588871849 SVYJYRZCPOSTMB-FQEVSTJZSA-N 454.550 2.010 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2[C@H]2C[C@@H]2C)CC1 1588885858 ZUDSCMYFQFUUNF-KXBFYZLASA-N 454.962 2.408 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCCOCC(F)F)CC1 1588930327 SRKYSHKHZYMUCP-HXUWFJFHSA-N 489.523 2.428 30 10 JEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 1588968708 PIJUUSWWPSDTRT-IAGOWNOFSA-N 462.620 2.230 30 10 JEEE C=CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)CCNS(C)(=O)=O 1594727038 KIESXKVLFWIQBB-UHFFFAOYSA-N 470.640 2.344 30 10 JEEE C=CCN(c1nnc(-c2ccc(OC)cc2OC)n1CCN1CCN(C(C)=O)CC1)C1CC1 1595037646 IYMLQGILRABHOA-UHFFFAOYSA-N 454.575 2.281 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)CCC2CCCC2)CC1 1595545469 XOHWWKOMPWXEBZ-FQEVSTJZSA-N 458.607 2.093 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H]3CCOC3)nnc2N2CCC[C@@H](CNS(C)(=O)=O)C2)cc1 1595614562 XNGUEKCMTSPIHQ-VQTJNVASSA-N 475.615 2.161 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccc3cccnc23)C1 1595674181 NNOGPZQGFPUXFS-VQIMIIECSA-N 456.572 2.266 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC=C(COC)CC1 1595789392 RVXLBGOURZPYLI-UHFFFAOYSA-N 498.609 2.059 30 10 JEEE CCN1CCN([C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)CC1 1615836862 AAKVEWJGUZWOQU-AABGKKOBSA-N 487.674 2.101 30 10 JEEE Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCN(S(=O)(=O)NC(C)C)CC2)cc1C 1626230211 GYXVKRIWUSLXNP-UHFFFAOYSA-N 458.588 2.081 30 10 JEEE C=C(C)CONC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1CCC 1628313916 DUAYEFFANJXWDY-UHFFFAOYSA-N 450.561 2.024 30 10 JEEE CC[C@@H](NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)[C@@H]1CN(Cc2ccccc2)CCO1 1630906132 HKQUHKSOWWGIQF-PKTZIBPZSA-N 455.580 2.269 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)N3CCC(C(=O)NCCCN(CC)CC)CC3)cc2C1=O 1632796522 GCLMUMZEEQJDGB-UHFFFAOYSA-N 454.571 2.169 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H]1CCS(=O)(=O)C2(CC(C(=O)OC)C2)C1 1638898707 XKIIWHGMFAHNQP-WUZYXKQASA-N 450.557 2.292 30 10 JEEE COc1cccc(Oc2ccc(CNC(=O)CNS(=O)(=O)c3cccc(C#N)c3)cn2)c1 1650719835 GDNLVSARQCHQKM-UHFFFAOYSA-N 452.492 2.349 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)[C@H](C)C(=O)Nc2cc(C(=O)OC)ccc2C(=O)OC)c1 1652305556 VYSFDDLPKISTFV-OAHLLOKOSA-N 451.479 2.139 30 10 JEEE C#CCN([C@@H]1CCOc2ccc(Br)cc21)S(=O)(=O)c1cnn(CCOC)c1 1662170510 HKFASTVGSVYDFU-QGZVFWFLSA-N 454.346 2.440 30 10 JEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2cc(F)ccc2OC)CC1 1689892462 GHPSRFWBOAOYIW-IBGZPJMESA-N 489.617 2.454 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1Cc1ccc(C(=O)NCC)cc1)[C@H]1CCS(=O)(=O)C1 1689979760 GULKCNXVMJOIKH-XLIONFOSSA-N 457.600 2.216 30 10 JEEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H](c1cccs1)N1CCOCC1 1690003817 YZDZYDLLEKIDCI-GBXCKJPGSA-N 469.611 2.138 30 10 JEEE C#CCN(CCOC)c1nnc(Cc2c(F)cccc2F)n1C[C@@H](N1CCOCC1)C(F)(F)F 1690104939 NISPWCYMIMDSSQ-LJQANCHMSA-N 487.473 2.496 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CC[C@@H](C)C2)n1 1690109114 HGPXXWGWWTVUOF-VAMGGRTRSA-N 474.631 2.099 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)OCCOC)n1C[C@@H](N1CCOCC1)C(F)(F)F 1690192708 CSNBDIXKVXWQLF-MBOZVWFJSA-N 459.513 2.257 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2cccc(F)c2)C1 1690313626 ZGCIYVZNGMXLDW-ICSRJNTNSA-N 464.563 2.490 30 10 JEEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1690470798 LOVPJAPRGGSDDA-OAQYLSRUSA-N 482.633 2.123 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(F)cc3Br)n2CC(=O)N2CCOCC2)C1 1690692055 QFTOTKRBOLXNTH-INIZCTEOSA-N 494.365 2.487 30 10 JEEE COCCN1C[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCO[C@@H](C(C)(C)C)C2)CC1=O 1698077797 DNCQBYLJXNMQTC-RBBKRZOGSA-N 496.612 2.475 30 10 JEEE N#Cc1ccc(-c2nnc(N3CC[C@@H](C(=O)NCC(F)(F)F)C3)n2CCCN2CCOCC2)cc1 1698485477 FGHQAMUAVZXBSB-LJQANCHMSA-N 491.518 2.044 30 10 JEEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1C[C@H]1NC(=O)CC1(C)C)[C@H]1CCS(=O)(=O)C1 1705560806 KNJNJQUJMMGJBY-PWRODBHTSA-N 483.638 2.361 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1ccc(C[S@@](C)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1705564909 FNHOKZGENXGWDF-PIFAPPPTSA-N 490.651 2.073 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@@H]1OCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1705569133 ZVHLXKROTHSXAJ-QUCCMNQESA-N 476.574 2.438 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCc1scnc1C 1705626893 MSDRACRSGRKFGC-UHFFFAOYSA-N 463.567 2.286 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1oc(CC)nc1C 1705627042 RSUUHFRRSNNAAQ-UHFFFAOYSA-N 461.526 2.185 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccnc3)n2CCc2ccc(OC)c(OC)c2OC)CC1 1705638066 WSAGLRKYWSBBOP-UHFFFAOYSA-N 462.554 2.364 30 10 JEEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1705819166 FDICFOCRJZWVQL-FQEVSTJZSA-N 464.680 2.141 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC(N(C)c2ccccc2)CC1 1705932177 OBEHIYCITSCNQQ-UHFFFAOYSA-N 467.599 2.441 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCN(CC(F)(F)F)C1 1706069575 FTVRZWMZYGWSJD-GJZGRUSLSA-N 450.469 2.405 30 10 JEEE CC1CCN(c2ccc(Cn3c([C@@H](C)NS(C)(=O)=O)nnc3N3CCC(C#N)CC3)cn2)CC1 1708103684 BRNIGYOHMKALIW-GOSISDBHSA-N 486.646 2.308 30 10 JEEE C#CCCCCn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1722314640 NPQXHKLYGBQATI-LJQANCHMSA-N 461.588 2.281 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1Cc1cccnc1OC)[C@H]1CCS(=O)(=O)C1 1722361779 JSEXEMRPKXOHBA-IBGZPJMESA-N 451.552 2.332 30 10 JEEE C#CCN(c1nnc(C2CC2)n1Cc1cccc(C(=O)N[C@H](C)CC)c1)[C@@H]1CCS(=O)(=O)C1 1722367204 KVCVHNLPWBKYCA-DYESRHJHSA-N 469.611 2.359 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@H](C)N2CCOCC2)CC1 1722432640 ZSGLXMRBEWDTLS-VQTJNVASSA-N 456.566 2.033 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1cccc(OC)c1)N(C)C 1722473407 CRKFDWCCEQBHAS-ZCVJKFOLSA-N 471.627 2.484 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccc2C)nnc1N1CCN(CC(=O)N(C)C)CC1 1722493931 AUAYWMYSQDMRBW-NFBKMPQASA-N 452.603 2.445 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)OC(C)(C)O2 1722682186 XYZRQFGESYWAJX-KRWDZBQOSA-N 462.572 2.375 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1740551723 LQSZKDHVTBZYFQ-PWRODBHTSA-N 466.634 2.409 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](CC)N1CCc2ccccc2C1 1740553007 QHXYRACXTRCGCE-BWAGFHJFSA-N 455.628 2.475 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)Cc1ccccc1OC 1740589725 ASDSTMLROZCZIP-RXVVDRJESA-N 475.615 2.100 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Br)n1CCCCCO)[C@@H]1CCS(=O)(=O)C1 1740621359 WADIRUBZWGDLRI-MRXNPFEDSA-N 481.416 2.497 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1CCc1cccnc1)[C@@H]1CCS(=O)(=O)C1 1740628818 URSKKUPNHJTDSG-OAQYLSRUSA-N 465.579 2.430 30 10 JEEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1Cc1snnc1C)[C@@H]1CCS(=O)(=O)C1 1740628848 VLHCXQPOVXWTLV-MRXNPFEDSA-N 493.014 2.345 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCO[C@H]2CCCC[C@H]2C)CC1 1740703839 BUSYIZYKUJXMFV-NQIIRXRSSA-N 451.575 2.296 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2CCN2CC=CCC2)CC1 1740707798 PZSZBDLTPPRSFD-UHFFFAOYSA-N 462.598 2.393 30 10 JEEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1740738064 CUXASZBFPFABMP-GXTWGEPZSA-N 472.413 2.044 30 10 JEEE C=CCC(C)(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(CC(=O)N(C)C)CC1 1740847476 JRXDNPYBPBZRJX-UHFFFAOYSA-N 492.628 2.005 30 10 JEEE C=CCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCN1CCC[C@H]1C(=O)N(C)C 1740895855 WYLXHITXRWJTFB-IBGZPJMESA-N 454.575 2.281 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2ccccc2F)C[C@@H]1C 1740951199 TUMDWKHZNSEINZ-KRWDZBQOSA-N 471.581 2.353 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCN(C(=O)OC)CC1 1740956261 JGFROGXQFLARQY-UHFFFAOYSA-N 480.525 2.308 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H]1c1ccc(OC)cc1 1740990737 DWCAEVSDGUGTBV-MOPGFXCFSA-N 459.572 2.180 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1cnccn1 1740995506 NWBWWGWSALLYSG-SFHVURJKSA-N 491.618 2.377 30 10 JEEE CC(C)OC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(N(C)C)CCOCC2)CCO1 1741745627 COJQCSZCXNLMAX-HSZRJFAPSA-N 498.628 2.470 30 10 JEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1748735030 MMHVAPJKUIFQIK-UHFFFAOYSA-N 483.598 2.166 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1CCc1sc(C)nc1C)[C@H]1CCS(=O)(=O)C1 1748812346 SZBUMMJYPDQERY-KRWDZBQOSA-N 458.613 2.226 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCc1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 1748824995 VDQVXULWEAKXMK-FKBYEOEOSA-N 472.611 2.180 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(=O)N1CCCCCC1 1748858107 MOBDZAPFBLQZHV-NRFANRHFSA-N 498.628 2.452 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](SC)C(C)(C)C)CC1 1749001130 JKTUPSBRFYDWRC-SFHVURJKSA-N 460.648 2.258 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CCc2nccc(C(F)(F)F)n2)CC1 1749016554 GEZZNWNYUMRUNL-UHFFFAOYSA-N 498.513 2.281 30 10 JEEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 1749039014 NWYKHFPWOMPBRC-VSKRKVRLSA-N 488.702 2.355 30 10 JEEE C=C(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1749204035 TYMKHEKEVOGSSX-IBGZPJMESA-N 458.588 2.413 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(c2cnn(CC)c2)CC1 1749228745 CGWYTULSVRFRPG-LJQANCHMSA-N 462.620 2.373 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OCCC)c(OC)c2)n1CCN1CCCS1(=O)=O 1760106392 BXYCNHNNPYEOOO-QGZVFWFLSA-N 461.588 2.236 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2CCN2CCOC[C@@H]2C)c1 1760125105 DZVVTKKCLVLOEZ-IBGZPJMESA-N 461.570 2.061 30 10 JEEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCNc1nccc(C(F)(F)F)n1 1760164942 FFTHXHCJBSJQMC-IBGZPJMESA-N 453.469 2.309 30 10 JEEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1C[C@H](c1ccc(C)cc1)N1CCOCC1 1760165083 ISJRVJPEMZDSLZ-RDGATRHJSA-N 453.587 2.382 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@]1(O)CCc2ccccc21)[C@H]1CCS(=O)(=O)C1 1760185731 CCSAYPKCQRMVPD-YADARESESA-N 456.612 2.327 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1CCCc1c[nH]nc1C)[C@H]1CCS(=O)(=O)C1 1760189328 HQPVKDRCWHUVSR-NRFANRHFSA-N 482.610 2.169 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1Cc1nccc(C(F)F)n1)[C@@H]1CCS(=O)(=O)C1 1760192418 UMDFKJOPVGCCJB-GOSISDBHSA-N 486.548 2.466 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1Cc1cn(C2COC2)nn1 1760207663 RPHIKWFEEHHQLZ-UHFFFAOYSA-N 459.554 2.439 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(NC(=O)c3ccco3)cc2)CC1 1760252451 QLGBBRBZECQVGQ-UHFFFAOYSA-N 475.553 2.065 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2CCNc2nccc(C(F)(F)F)n2)CC1 1760270200 ULQUDARGIWHOPV-UHFFFAOYSA-N 476.507 2.432 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNC(=O)Cc1cccc(F)c1 1760338256 ZXXVDSBKXFWRQS-SFHVURJKSA-N 463.579 2.081 30 10 JEEE C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1760342756 TZMUFVKHBLJBRZ-UHFFFAOYSA-N 457.398 2.377 30 10 JEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCN([C@@H](C)c2nccs2)CC1 1760359874 MRWWDUJPPIYTOV-SFHVURJKSA-N 459.620 2.333 30 10 JEEE C=CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCN1CCOC(C)(C)C1 1760504593 VBFFGCSDDDLIPX-UHFFFAOYSA-N 457.575 2.466 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(Cc1cccc(F)c1)C[C@@H]1CCCO1 1760515265 UORSMVOIOVMCSF-FQEVSTJZSA-N 470.549 2.141 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCOc3ccccc32)C1 1760534884 IIAZRLNLBZRGOE-RCCFBDPRSA-N 461.588 2.236 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 1760695194 CMCNIHHYTNMLPY-KURKYZTESA-N 480.635 2.423 30 10 JEEE CC(C)COC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC2CC2)CC1 1761137942 DBDYJFYFOODSSU-UHFFFAOYSA-N 495.584 2.170 30 10 JEEE CC(C)NS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1763089139 GCVIVSRVURRYGA-LJQANCHMSA-N 485.658 2.455 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(c2cnccn2)CC1 1772660062 TXBKJPFZBWAIAY-UHFFFAOYSA-N 491.980 2.455 30 10 JEEE COCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1862636063 YCOXACNMQMMZNF-HXUWFJFHSA-N 484.417 2.319 30 10 JEEE CC(C)C[C@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O 1869928662 VSHWEMOGYBIWIR-KRWDZBQOSA-N 454.508 2.004 30 10 JEEE C=CCN(CC=C)c1nc(NC(=O)/C=C/c2ccc(OC)cc2)n([C@H]2CCS(=O)(=O)C2)n1 1870002242 HABOVMHXJDPMNO-MZEUMTGBSA-N 457.556 2.477 30 10 JEEE CC(=O)Nc1ccc(-n2nnc(C#N)c2NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)cc1 1870158655 HYBNWBBGAOJYNL-UHFFFAOYSA-N 450.371 2.475 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NC[C@H]2CCCO2)cn1CCCCCCO 1870540367 WVNJFUIMUYNMIL-JOCHJYFZSA-N 461.603 2.249 30 10 JEEE COc1ccc(/C=N/Nc2cnn([C@H]3CCS(=O)(=O)C3)c(=O)c2Cl)c(Br)c1O 1873528514 AVAIJEJEGMZZES-PODRTGRWSA-N 491.751 2.179 30 10 JEEE CCOc1ccc(S(=O)(=O)N2CCC(OCC#CCN3CCN(C(C)C)CC3)CC2)cc1 1890633878 NUBIERFBYBTXHK-UHFFFAOYSA-N 463.644 2.284 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)NCCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2180985335 ONTTUGYHKUVGFT-OALUTQOASA-N 460.380 2.015 30 10 JEEE CN[C@H](C#Cc1ccccc1Br)[C@@H](NC(=O)OC(C)(C)C)C1CS(=O)(=O)C1 2235727597 PRPLEQPDCXPVQH-SJORKVTESA-N 457.390 2.327 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NCCO[C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 2255156419 OJVSYNWWSIDOKA-BNGSBABLSA-N 451.564 2.435 30 10 JEEE CC1(C)OB(c2nscc2C(=O)NC[C@@H]2CN(C(=O)OCc3ccccc3)CCO2)OC1(C)C 2255844158 RNNYQBFBEMJBDC-QGZVFWFLSA-N 487.387 2.210 30 10 JEEE Cc1cc(CNC(=O)C2(NC(=O)OC(C)(C)C)COC2)sc1B1OC(C)(C)C(C)(C)O1 2256677471 XHINMPNRDILIAV-UHFFFAOYSA-N 452.382 2.266 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@]2(CO)CCN(C(=O)OC(C)(C)C)C2)s1 2267101584 JRKIZYLXIKDKJP-JOCHJYFZSA-N 466.409 2.457 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](NS(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)CCO1 2267474442 VDFWCPOYKASIBG-HNNXBMFYSA-N 488.437 2.408 30 10 JEEE C[C@H](NC(=O)[C@H]1COC[C@@H]1NC(=O)OC(C)(C)C)c1nscc1B1OC(C)(C)C(C)(C)O1 2268699185 SFUCXGORGJGIFS-YDHLFZDLSA-N 467.397 2.159 30 10 JEEE Cn1ncc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC23CCC3)c1B1OC(C)(C)C(C)(C)O1 2281812057 NRHSORULDRTQCE-UHFFFAOYSA-N 460.384 2.335 30 10 JEEE COc1ccc(C(=O)N[C@H]2COC[C@H]2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2281937370 YXDULPFUXSXYCG-ZWKOTPCHSA-N 462.352 2.016 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2CN(C(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)C[C@@H]2C1 2281990145 JLXQISLSCNBGCG-HRCADAONSA-N 460.384 2.474 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H]3CC[C@H]32)n1 2281991639 CUVIHBJQMSHUQD-IAGOWNOFSA-N 460.384 2.426 30 10 JEEE CC(C)(C)OC(=O)NC[C@@]12CN(C(=O)c3occc3B3OC(C)(C)C(C)(C)O3)C[C@@H]1CCO2 2282049458 ZLNGNDOCRXBOIF-NPMXOYFQSA-N 462.352 2.335 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H](O)C2)c1 2282110688 QHHKTTWZBBBFMC-IBGZPJMESA-N 460.380 2.348 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2C(NS(=O)(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)c(F)c3)[C@H]2C1 2282323624 DUUUBBYXHHCDOR-GJZGRUSLSA-N 482.383 2.269 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 2282535495 OVGVHADAYJBCSR-HNNXBMFYSA-N 460.384 2.239 30 10 JEEE Cc1c(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]3C[C@@H]23)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282599048 NLPSKZAQFZHMHA-ARFHVFGLSA-N 460.384 2.155 30 10 JEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CCN(Cc3ccccc3)C3(CC3)C2)n1 2282618921 VHMZAJIOEWRDAU-SFHVURJKSA-N 451.380 2.041 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1O 2282672976 PJUFNWCPVHRFPI-MOPGFXCFSA-N 460.380 2.394 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](O)CN(c2ccc([N+](=O)[O-])c(B3OC(C)(C)C(C)(C)O3)c2)C1 2282939178 ZYADZHRDJLOULA-ZBFHGGJFSA-N 463.340 2.358 30 10 JEEE CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2283949639 AZAMODMGCZTZAL-HOCLYGCPSA-N 465.331 2.340 30 10 JEEE Cc1nc(NC(=O)[C@@H]2[C@@H](C)OCCN2C(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2283958100 VRSXGJVEMDHPET-ZBFHGGJFSA-N 462.356 2.047 30 10 JEEE CO[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)C1 2284047447 FXVSHYQRPIOSKL-ZBFHGGJFSA-N 481.424 2.473 30 10 JEEE CC(C)(C)OC(=O)N1CCC(O)(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)CC1 2284050830 DIVVREOAFDODCO-UHFFFAOYSA-N 465.331 2.220 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H](COCc1ccccc1)C(=O)O 2284395125 IAFBSHMNVCRDGC-LJQANCHMSA-N 475.372 2.243 30 10 JEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@]1(C(=O)O)CCN(Cc2ccccc2)C1 2284433082 HTDWZZHWSFPUGC-DEOSSOPVSA-N 454.332 2.346 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2C[C@@]2(CNC(=O)OC(C)(C)C)C1 2288248477 YFNGWFBQPYXELV-IQMFZBJNSA-N 460.384 2.189 30 10 JEEE Cn1nc(C(=O)N2C[C@H]3C[C@@]3(CNC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2288261907 WSJLYQBPMXXWKN-MCMMXHMISA-N 480.802 2.360 30 10 JEEE Cc1cc(CNC(=O)[C@H]2C[C@@H](O)CN2C(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2289463626 MECQMOHKTMWOBC-IEBWSBKVSA-N 460.380 2.281 30 10 JEEE COC(=O)c1[nH]c(C)c(C(O)=C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(C)o2)c1C 2296136314 ZUWRZGHOROUGHD-HXUWFJFHSA-N 471.510 2.073 30 10 JEEE COC(=O)CSc1nnc([C@@H]2CC(=O)N(Cc3ccccc3)C2)n1N=Cc1ccc(O)c(O)c1 2325921405 WONDKEGDNKPTDX-QGZVFWFLSA-N 481.534 2.353 30 10 JEEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)[C@@H](CN)[C@@H](CNC(=O)OC(C)(C)C)OC 2327301015 BZWGQOSWHNOQKW-RBUKOAKNSA-N 454.612 2.188 30 10 JEEE CC1(C)OB(c2sncc2C(=O)NCC[C@@H]2CN(Cc3ccccc3)CCO2)OC1(C)C 2337397924 IYEVUUYDTYZSSM-GOSISDBHSA-N 457.405 2.463 30 10 JEEE CC(C)(C)OC(=O)N1CC(C(=O)N2CC[C@@H]3C[C@]3(B3OC(C)(C)C(C)(C)O3)C2)(S(C)(=O)=O)C1 2379797118 LDNBRTKGFUIRLB-VFNWGFHPSA-N 484.424 2.105 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)NC[C@H](c3ccc(OC)c(OC)c3)N3CCOCC3)cc2C1=O 30032607 DRWOJVNZHVMIJG-OAQYLSRUSA-N 479.533 2.289 30 10 JEEE Cn1c(=O)n(Cc2ccccc2)c(=O)c2c1[nH]/c(=N\N=Cc1ccc(OC(=O)c3ccco3)cc1)n2C 254853856 KRQWDSQQVJEXRX-UHFFFAOYSA-N 498.499 2.162 30 10 JEEE C=C(C)COc1cc(C=c2sc(=C(C#N)C(=O)NCCC)n(C[C@@H]3CCCO3)c2=O)ccc1OC 489093566 GXBTWPYSMGVSJW-IBGZPJMESA-N 497.617 2.082 30 10 JEEE C=CCn1c(=C(C#N)C(=O)C(CC)CC)sc(=Cc2cc(OC)c3c(c2)OCCO3)c1=O 523578000 PKBKZRBZYCHQHR-UHFFFAOYSA-N 454.548 2.384 30 10 JEEE C#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NO[C@@H](COC)C(=O)O 757457336 QNCYAPBAUWFPHG-SFTDATJTSA-N 452.463 2.064 30 10 JEEE C=CCOc1ccc(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)cc1OC 1144657245 RIBHCTHPZBHVDI-IBGZPJMESA-N 453.543 2.285 30 10 JEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCN1CCC(NC(=O)OC(C)(C)C)CC1 1154704751 CNZFDTAQCIVVER-GOSISDBHSA-N 452.596 2.398 30 10 JEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H]1CCO[C@@H](c2ccnn2C)C1 1158229797 HIBOFNPDABISBD-HHXXYDBFSA-N 459.572 2.054 30 10 JEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN(C)C(=O)OC(C)(C)C 1286409097 OOTGEXPMLZRVET-UHFFFAOYSA-N 485.614 2.178 30 10 JEEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(N2CCOCC2)c(F)c1 1286437488 OEVXAGYUWYJBAN-XMMPIXPASA-N 457.550 2.414 30 10 JEEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCc1nc(C)no1 1286447050 IMIZZXPFYXBWPK-QGZVFWFLSA-N 459.551 2.370 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2C[C@H]2CC(F)(F)CO2)CC1 1286491527 VUVZUKYCIPEBRK-LJQANCHMSA-N 473.524 2.268 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1286559939 ZREDLFCNSAQOID-CZSZKKDXSA-N 481.645 2.282 30 10 JEEE C=CC1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](N2CCOCC2)C(F)(F)F)CC1 1286653358 VNRVUQFHUWVEAF-KRWDZBQOSA-N 456.513 2.180 30 10 JEEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)Cc1ccc(OC)c(C)c1 1286786337 BUGJRXXAGQOJDF-UHFFFAOYSA-N 497.625 2.494 30 10 JEEE C#CCN(C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@H](N1CCOCC1)C(F)(F)F 1300449310 PRHOVJHOAQDLFF-SFHVURJKSA-N 453.465 2.295 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCSc1ccccc1 1300577865 DFMHMMGUZBQCFO-OAQYLSRUSA-N 487.651 2.256 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1CC1(S(C)(=O)=O)CCC1 1300657720 QZPXOELOYOEEDA-UHFFFAOYSA-N 470.393 2.089 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1300884936 NBGMEWGPUAAJDN-FYQPLNBISA-N 477.606 2.493 30 10 JEEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1301075374 DOXRSGONRMUYKQ-HXUWFJFHSA-N 452.964 2.313 30 10 JEEE COC[C@@H]1CCCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1301238318 HGTIJZUPAIDTTP-TZIWHRDSSA-N 472.615 2.494 30 10 JEEE CC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1)NC(=O)OC(C)(C)C 1305813589 GWKBPLFVPNDNLR-RBUKOAKNSA-N 480.573 2.334 30 10 JEEE C#CCOc1ccccc1CNC(=O)NC[C@@H](Cc1cccc(F)c1)C(=O)N1CCOCC1 1312003495 MEYMYTLGOJCANB-OAQYLSRUSA-N 453.514 2.355 30 10 JEEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCOc2cccc(C(F)(F)F)n2)C1 1316531240 HZYIOJNNUUGAHH-SCLBCKFNSA-N 488.467 2.115 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(NC(=O)CC(C)C)c1 1358872261 RSMWTIWZRQRZAE-IAGOWNOFSA-N 460.604 2.379 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1358877206 YSYQPTSYVPZZTQ-IRXDYDNUSA-N 453.572 2.075 30 10 JEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CCCN2CCOCC2)CC1 1358912207 LDWBTRJYXWSNTQ-JOCHJYFZSA-N 477.675 2.313 30 10 JEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](C)CNC(=O)OC(C)(C)C 1358946553 ZMLLXGRUESCOFE-INIZCTEOSA-N 475.619 2.468 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccc(N2CCC(CO)CC2)cc1)[C@H]1CCS(=O)(=O)C1 1358956071 ZLQHNVXPLZNYPN-QHCPKHFHSA-N 499.681 2.459 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CC1(C)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1358968139 ZXNAMXGHSINFDV-LJQANCHMSA-N 476.574 2.440 30 10 JEEE C#CCN(CC#CC)c1nnc(Cc2ccsc2)n1CCc1ccc(S(N)(=O)=O)cc1 1358996625 LSICFCUTBZSIHP-UHFFFAOYSA-N 453.593 2.283 30 10 JEEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1c(C)nn(C)c1C 1359002273 UENKQZAHWKBBCQ-UHFFFAOYSA-N 454.604 2.405 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCN(CC)C1 1359025089 CJUZJUKEEOYXMW-WOJBJXKFSA-N 476.622 2.014 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@](C)(O)c2cccc(Cl)c2)CC1 1359043721 FPSFSLCZIJFYIK-DEOSSOPVSA-N 479.972 2.262 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2CC2(N(C)C)CCC2)CC1 1359047635 NUVPRKDVOAYBNU-UHFFFAOYSA-N 468.577 2.446 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCNS(=O)(=O)CC 1359069566 PDYCKVSESARIQL-XMMPIXPASA-N 497.625 2.167 30 10 JEEE C=C(Br)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1359086764 IASUMDVECCTKPJ-SFHVURJKSA-N 469.409 2.063 30 10 JEEE C=C(C)COCCn1c(-c2cc(Br)cn2C)nnc1N(C)CCN1CCOCC1 1359126867 BHSSMXCXENUDIZ-UHFFFAOYSA-N 467.412 2.407 30 10 JEEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCc2sccc2C1 1359133177 MRXQASBDVWFZEC-SFHVURJKSA-N 481.644 2.218 30 10 JEEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1359183818 VHHLKVIMAAVUTN-OTWHNJEPSA-N 468.668 2.038 30 10 JEEE C=CCCOCCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@H](C(N)=O)C1 1359222889 VICBHLPZSULFFA-AWEZNQCLSA-N 451.369 2.341 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1359274250 HEJUUDFDFJHCCD-NRFANRHFSA-N 486.642 2.031 30 10 JEEE C=CCNC(=O)Cn1c(N2CCN(CC3CCCCC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1359305644 JKEZQUYROACZTM-VWLOTQADSA-N 474.650 2.323 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1359328911 ROTIVIPSZGETCO-NRFANRHFSA-N 489.642 2.185 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1359330016 CXFFPIXIVSSKBB-LJQANCHMSA-N 497.625 2.252 30 10 JEEE CS(=O)(=O)CC[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCc1ccc(C#N)c(F)c1 1469014717 BZYDLRJDGKLZCL-GOSISDBHSA-N 451.907 2.200 30 10 JEEE CCCN(CC)CCn1c(Cc2ccccn2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1500791379 BEGINTDAVDIAIU-FQEVSTJZSA-N 474.617 2.373 30 10 JEEE CCO[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2CCNC(=O)c2ccc(C)c(F)c2)CCOC1 1502626810 CJJDAXNHBVJWMA-MWTRTKDXSA-N 458.538 2.404 30 10 JEEE CCOc1cccc(Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@@H](C#N)C2)c1OC(F)F 1502880667 HCVSQDAWPWQMKO-HNNXBMFYSA-N 464.473 2.193 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCCCC(F)(F)C1)[C@@H]1CCS(=O)(=O)C1 1507622705 KZKNXESPLKWJNK-IAGOWNOFSA-N 471.574 2.259 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1Cc1ncccc1N(C)C)[C@@H]1CCS(=O)(=O)C1 1507624611 CIHOXUAXAOBBTM-LJQANCHMSA-N 480.594 2.090 30 10 JEEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccc(C)cc1)N1CCCC1 1507678696 BNBYHMIJNVLXQW-CTNGQTDRSA-N 458.632 2.493 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CC(CC)(CC)SC)CC1 1507739378 ATJIAZZLPSGAMV-UHFFFAOYSA-N 460.648 2.288 30 10 JEEE C#CCSCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(C2CC2)C(=O)C1 1507744445 MJZKRRWOLHLFHK-UHFFFAOYSA-N 471.583 2.148 30 10 JEEE C#CCSCCn1c(CC(C)(C)C)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1507750866 GRQTXCNTYYVDQK-UHFFFAOYSA-N 474.675 2.173 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCC(=O)N2)n1CCc1ccc(S(N)(=O)=O)cc1 1508006607 IHGSGWMBNZKBPV-LJQANCHMSA-N 486.623 2.373 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)C1CCCCC1 1508074158 QUYGJUZCEYTIHF-UHFFFAOYSA-N 460.604 2.267 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCc2ccccc2CC1 1508090501 IWSHLBNIFLCYCM-NRFANRHFSA-N 496.612 2.494 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1508095344 WNZLWXOKBGHJAL-AEFFLSMTSA-N 456.572 2.116 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C)N2CCC[C@@H](C)C2)C1 1508121786 AEGKKHWVDNJRGT-UAFMIMERSA-N 451.637 2.082 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CCCN(C(=O)C2CC2)CC1 1508148037 FFMCHVWPUSIMHE-UHFFFAOYSA-N 491.589 2.046 30 10 JEEE C[C@@](O)(Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1)c1ccco1 1510233102 FDFIZDVSBUMWPE-XMSQKQJNSA-N 455.540 2.331 30 10 JEEE Cc1ccc([C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@H](C)CC(N)=O)N2CCOCC2)o1 1510718377 FVRFGKXFYMWWLM-DYESRHJHSA-N 477.569 2.492 30 10 JEEE CCc1ccccc1OCc1nnc(N2CCC(C#N)CC2)n1CC1(O)CCS(=O)(=O)CC1 1513680780 HCLWBUKESPGSOI-UHFFFAOYSA-N 473.599 2.099 30 10 JEEE CCCC(O)(CCC)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@H](C#N)C1 1514346511 FDNVCXMVOLJAIA-QGZVFWFLSA-N 465.558 2.252 30 10 JEEE CSC1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@](C)(C(N)=O)C2)CCN(C)CC1 1519914373 BQTACLHAIWZDJM-QFIPXVFZSA-N 453.616 2.346 30 10 JEEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1CCc2c1ccc(F)c2Br 1526241346 BAWGMABUBJLAEE-CQSZACIVSA-N 452.305 2.430 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccccc1CN(C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1539222235 UVMQUWFLBQMCOK-DHIUTWEWSA-N 485.654 2.297 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1Cc1nccc(C(F)F)n1)[C@H]1CCS(=O)(=O)C1 1539224999 LCZUFDCEIKLOEC-HNNXBMFYSA-N 478.550 2.333 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(F)cc3Br)n2Cc2ccc(C(N)=O)nc2)CC1 1539436699 ZGWZYXDDJNTXED-UHFFFAOYSA-N 498.360 2.144 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2Cc2cc(C)on2)CC1 1539482707 OOERLZGOBIEWAX-UHFFFAOYSA-N 454.481 2.458 30 10 JEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN([C@H](C)c2nc(C(C)C)no2)CC1 1539490494 DDQZLNLNTONSMD-QGZVFWFLSA-N 474.635 2.172 30 10 JEEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCN(CC(F)(F)F)CC1 1539534143 ZZPWSLUYXMAPCX-IRXDYDNUSA-N 461.554 2.443 30 10 JEEE C=C(Br)Cn1c(-c2noc3c2COCC3)nnc1N(C)CC(=O)NC(C)(C)C 1539594675 OFTCMKXPCDPLCB-UHFFFAOYSA-N 453.341 2.265 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C1CCC(NC(C)=O)CC1 1539633632 ZYOSQZSVGKHKTI-GZIMKVCBSA-N 479.647 2.045 30 10 JEEE C=C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCSCCCO)CC1 1539836062 MNIFUULANUSERY-UHFFFAOYSA-N 465.645 2.467 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2csc(CC)n2)C1 1540891904 BJBPJVVZCFUORD-DOTOQJQBSA-N 451.618 2.223 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1540900882 LOERIHYTUAFUCE-OAQYLSRUSA-N 466.567 2.334 30 10 JEEE COc1cc(OC)c2c(c1Cl)O[C@]1(C(=O)C=C(NCCCN3CCOCC3)C[C@@H]1C)C2=O 1565538480 QDKSWLQKPMCURB-LFVRLGFBSA-N 464.946 2.476 30 10 JEEE COC[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)c1cccc(OC)c1 1586825918 GFOBXMAXPWZNLM-QFIPXVFZSA-N 457.552 2.471 30 10 JEEE C#CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(CC(=O)N(C)C)CC1 1587738538 GBNTVYUFOIMLHH-UHFFFAOYSA-N 461.574 2.419 30 10 JEEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1csc(C)c1)[C@H]1CCS(=O)(=O)C1 1588034666 KAROMSJWRALACA-SIKLNZKXSA-N 478.640 2.364 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCOc1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 1588074331 LZSLFNGPBMZYIX-PKOBYXMFSA-N 464.975 2.489 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1CC1(CN2CCOCC2)CCCCC1 1588628418 IEKQWSUEIYZSMW-UHFFFAOYSA-N 455.607 2.047 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CC[C@H](C)C2)n1 1588694719 CCQLUWCCTDUHKO-VQTJNVASSA-N 453.591 2.433 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc(Cl)nc3)n2C[C@H]2NC(=O)CC2(C)C)n1 1588724296 WYCBEASWHQKRLN-LJQANCHMSA-N 497.003 2.391 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCCN2C2CCCCC2)CC1 1588884675 JRDPWGQCLGGSLM-JOCHJYFZSA-N 483.661 2.179 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2CC2(N3CCCC3)CCOCC2)CC1 1588885796 ZIIVFMQNIAJUEO-HXUWFJFHSA-N 456.635 2.402 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@H](C(CC)CC)N2CCOCC2)CC1 1588913206 BYFMUMKFPMUQCN-XMMPIXPASA-N 495.672 2.386 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)CC1 1588955415 WWTWHDIPPZOFTA-LJQANCHMSA-N 495.628 2.485 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2ccc(N3CCSCC3)cc2)CC1 1588968019 FIFGREFRULEESK-UHFFFAOYSA-N 482.654 2.382 30 10 JEEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCC(S(=O)(=O)CC)CC1 1589303925 ASWKVLZFZCRRMB-CQSZACIVSA-N 465.414 2.314 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CCN1CCOC(C)(C)C1 1589483202 NHRTWOAMGQJAJL-TZIWHRDSSA-N 483.617 2.454 30 10 JEEE C=C(Cl)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1593818290 QVAPVWZHTJJXOI-INIZCTEOSA-N 478.956 2.483 30 10 JEEE C=CC1CCN(c2nnc(C(=O)N3CCCC3)n2CCNC(=O)c2cccc(OC)c2)CC1 1594169127 UCRIRGQCPPJTDS-UHFFFAOYSA-N 452.559 2.355 30 10 JEEE C=CCCOCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1594812716 IWNGZPRFKVAAKE-LJQANCHMSA-N 489.621 2.199 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1CCN(C(C)=O)CC1 1595127496 QYGNAYWULFIWDD-KRWDZBQOSA-N 492.621 2.479 30 10 JEEE C=CCNC(=O)Cn1c(N2CCc3cc(OC)c(C)cc3C2)nnc1[C@]1(OCC)CCOC1 1595602775 QROXDAWATHJANU-DEOSSOPVSA-N 455.559 2.112 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc3c(c2)CCCN3C)C1 1595672906 DIMKUWKDIDIBMI-XLIONFOSSA-N 474.631 2.100 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@H](CC(C)C)C1 1595778296 XPSSNPCKYMBMMS-GOSISDBHSA-N 470.603 2.394 30 10 JEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1Cc2cc(Br)cnc2NC1=O 1603410400 GSNOIEROMCWRME-KBPBESRZSA-N 451.321 2.130 30 10 JEEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCC[C@@H](NC(=O)c3cc4ccccc4o3)C2)CC1 1616059038 FWRXRWBIBMMCMA-NHCUHLMSSA-N 451.571 2.319 30 10 JEEE CCOCc1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1C[C@@H]1CCCCS1(=O)=O 1616957256 ALQUITZULSACAB-PMACEKPBSA-N 459.572 2.231 30 10 JEEE C#CCNS(=O)(=O)N1CCN(C(=O)c2c(-c3cccc(Cl)c3Cl)noc2C)CC1 1644285636 UDHPMVSAUKKIBP-UHFFFAOYSA-N 457.339 2.182 30 10 JEEE C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCN(CC(=O)Nc2ccc(Br)cc2)CC1 1672906712 SYLZFABYQAPOGF-MSOLQXFVSA-N 451.365 2.448 30 10 JEEE C=CCn1cc2ccc(NC(=O)N[C@@H](C)C(=O)Nc3cccc(S(=O)(=O)NC)c3)cc2n1 1673216213 WCXHTYCLAUMONF-AWEZNQCLSA-N 456.528 2.279 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](c1ccccc1)N1CCOCC1 1689824009 FLAXOSDHJYQHKQ-CTNGQTDRSA-N 459.554 2.457 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCCO3)n2C[C@]2(C)CN(C)C2=O)c1 1689872432 YMZLLZKSCSRYHN-DVECYGJZSA-N 450.543 2.054 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCOc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1689988230 LGQZEDISETUXSY-LJQANCHMSA-N 469.542 2.493 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCc2cc(C)ccc2OC)CC1 1690113534 MHYPBWCEANEOGN-VWLOTQADSA-N 453.587 2.245 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@H](C)SC)CC1 1690124210 HKTNRCRNYABKAR-MSOLQXFVSA-N 464.636 2.093 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC[S@@](=O)CC)CC1 1690137910 LONMXKNGRQVFQW-XIFFEERXSA-N 479.553 2.281 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H]2OCC[C@H]2C)CC1 1690139893 DLIQNSQZXIAGOX-VGOFRKELSA-N 467.570 2.353 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2CCC(=O)N(C)C)CC1 1690143735 AFCOCEFLHXEIHZ-UHFFFAOYSA-N 475.553 2.044 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2Cc2ccc(OC)cc2F)CC1 1690148275 BBRSWUHBIRBXST-UHFFFAOYSA-N 462.529 2.426 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CC[C@](C)(O)c2ccccc2)CC1 1690152750 WSHZJXUHZIEXOM-MHZLTWQESA-N 489.624 2.403 30 10 JEEE C=C(Br)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H](C(=O)OC)C1 1690232349 ICSSIKAKSFBKOU-LBPRGKRZSA-N 454.350 2.178 30 10 JEEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1690287931 AKKFSCGHKPUCLI-GOSISDBHSA-N 498.650 2.023 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1690664028 JRAJCAMNDBJSOP-LJQANCHMSA-N 471.993 2.483 30 10 JEEE C=CCOc1ccc(Cn2c(Cc3cccnc3)nnc2N2C[C@@H](O)[C@H](CC(=O)OC)C2)cc1 1690679864 BDVBEBCNHUZHKX-IFMALSPDSA-N 463.538 2.237 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC(=O)NCC(F)(F)F)C1 1690687548 DRICFUMQIUEUOQ-OAHLLOKOSA-N 469.464 2.422 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1c(F)cccc1Cl 1705531947 BCIBESZBPYPAML-GOSISDBHSA-N 469.970 2.453 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1CC1CCN(C(=O)OC)CC1)[C@H]1CCS(=O)(=O)C1 1705570402 MXIASFZZOAUKBA-QFIPXVFZSA-N 499.637 2.282 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(c2ccc(F)cc2F)CC1 1705629001 VCFORWAIDHRFPH-MRXNPFEDSA-N 464.538 2.276 30 10 JEEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(OC)c(OC(F)F)c2)CC1 1705637998 UFVXGKSEDNZRSD-UHFFFAOYSA-N 457.485 2.092 30 10 JEEE C#CCN1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCOCCCC)CC1 1705639040 DVFRBQPAVSWNTM-UHFFFAOYSA-N 452.607 2.024 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCc2nn(C)c(=O)cc2C1)C(C)C 1705869542 XSSORVSNCMGEGN-DENIHFKCSA-N 467.618 2.137 30 10 JEEE C=CCN(CCOC)c1nnc(-c2cccc(Br)c2)n1CCN1CCCS1(=O)=O 1705881269 INWXKDJGKCXUIO-UHFFFAOYSA-N 484.420 2.382 30 10 JEEE C=CCn1c(N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1705893429 HVLGQTJVKYQNQP-XMMPIXPASA-N 472.565 2.405 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1705899193 KRSKVRPWIPUNPT-HNNXBMFYSA-N 496.431 2.413 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@H](N2CCCC2=O)C1 1705931084 FEPLUESDCXJKNJ-KRWDZBQOSA-N 495.552 2.348 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1705933183 XDIIZXAIYPXQEA-QGZVFWFLSA-N 486.598 2.291 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)c2ccsc2)CC1 1705936349 PDWFMGGSKAJXAP-SFHVURJKSA-N 479.628 2.144 30 10 JEEE Cc1nn(C)c(N2CCN(c3nnc(C)n3CCOc3cccc(C(F)(F)F)n3)CC2)c1C#N 1707807460 AFOJRFRWNGTBKE-UHFFFAOYSA-N 475.479 2.320 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCc1ccc(S(C)(=O)=O)cc1 1722275056 BWZKNCZPOQUIAC-WZONZLPQSA-N 460.600 2.423 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc(Cl)nc3)n2Cc2ncn(C)n2)c1 1722304601 ANKFIRMPDADUFP-UHFFFAOYSA-N 461.917 2.227 30 10 JEEE C#CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(C(=O)NCC)CC1 1722320064 RYUGSLMMOTUQBP-UHFFFAOYSA-N 465.606 2.107 30 10 JEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1722332920 PYWOLMPCCJWARB-ZWKOTPCHSA-N 465.620 2.429 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1722362477 BECHXRMDWLWMKX-SOLBZPMBSA-N 450.536 2.219 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@H](C)SC)[C@@H]1CCS(=O)(=O)C1 1722370637 PPKXXVXOXRZRKZ-DOTOQJQBSA-N 452.577 2.374 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2Cc2ccnc(N3CCCCC3)c2)CC1 1722430536 DYBRWFBAEGVXQA-NRFANRHFSA-N 467.618 2.191 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)OC(C)(C)C)CC1 1722441375 JFFLQULPGOUXQJ-UHFFFAOYSA-N 465.558 2.009 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC(=O)NCC=C)CC1 1722442866 FVRQMBXFRHSGEX-UHFFFAOYSA-N 458.925 2.006 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2CC(=O)NC2CCCCC2)CC1 1722442869 FXSAQCGDTZVNPH-UHFFFAOYSA-N 478.597 2.368 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCC(=O)NC(C)C)CC1 1722445228 UPCJXJSRICHPRB-SFHVURJKSA-N 484.576 2.438 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2CC(=O)NC2CCCCC2)CC1 1722449859 RONAPHKNLUUVSR-UHFFFAOYSA-N 492.624 2.314 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1722587930 FMJKYVYATRDQOO-WOJBJXKFSA-N 465.664 2.331 30 10 JEEE C=CCC(C)(C)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1722590293 XRTFKYVFCYNTMS-QGZVFWFLSA-N 472.977 2.260 30 10 JEEE C=CCC(C)(C)Cn1c(N2CCN(CC(=O)N(C)C)CC2)nnc1[C@]1(OC(C)C)CCOC1 1722593436 RSDVSHSGZASLRB-DEOSSOPVSA-N 462.639 2.131 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1CCN1CCOCC1(C)C 1722656985 NGHQAOKRMHNDID-NRFANRHFSA-N 463.586 2.404 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1722706067 MHEDMRVQODRIHP-QGZVFWFLSA-N 469.521 2.449 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CN(Cc2ccccc2)CCCO1 1740644903 YJHIFMAQQZJNNN-XMMPIXPASA-N 474.609 2.268 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1740682368 SKHBGPLPAYRPCG-NRFANRHFSA-N 471.569 2.403 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCN1CC 1740685909 NGILRTDSOCLFBW-UXHICEINSA-N 476.622 2.157 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CC)Cc1ccc(C(=O)N(C)C)cc1 1740717109 JXFOTNBHHJZTIV-HXUWFJFHSA-N 489.667 2.275 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(F)ccc1SC 1740900321 XCQMSHPPXRQEFH-INIZCTEOSA-N 455.581 2.143 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1740952290 YULVKMSIHJIDGX-OALUTQOASA-N 472.565 2.018 30 10 JEEE C=CCOc1ccc(Cn2c(-c3cnn(C)c3)nnc2N2CCC[C@H](CNS(C)(=O)=O)C2)cc1 1740967115 XDURXAVHISLIEL-LJQANCHMSA-N 485.614 2.057 30 10 JEEE C=CCOc1ccc(Cn2c(N3CCS(=O)(=O)CC3)nnc2[C@@]2(OC(C)C)CCOC2)cc1 1740968305 HOHGSUMCBXNGDU-HSZRJFAPSA-N 476.599 2.167 30 10 JEEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1748734162 AEPFKBUTTZNZDL-QGZVFWFLSA-N 462.572 2.398 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccc(C(=O)NCC)cc1)[C@@H]1CCS(=O)(=O)C1 1748801875 IETIOXJNCCXGCL-LJQANCHMSA-N 457.600 2.000 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@H](C)CN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1748811451 HDCALMRJGNUSOC-UXHICEINSA-N 458.632 2.032 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1ncnn1-c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1748817399 KBXHJVGGTBBTET-LJQANCHMSA-N 467.599 2.122 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(Br)cc2Cl)n1CCNS(=O)(=O)CC 1748833428 QEVLVKAPRBZHNP-UHFFFAOYSA-N 484.807 2.373 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCOC2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1749129484 DVEGVJAIACCBJS-ZJOUEHCJSA-N 481.663 2.452 30 10 JEEE C=C(Cl)Cn1c(-c2cc(Br)cn2C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1749252713 FRJGWYWIZPGTKL-CQSZACIVSA-N 482.770 2.271 30 10 JEEE COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(COC)CCOCC2)CCO1 1749575769 CQUVXENKULIBBR-OAQYLSRUSA-N 471.558 2.024 30 10 JEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(S(=O)(=O)CC)CC1 1749630329 QTCXLWOMKWNDKE-KRWDZBQOSA-N 469.608 2.176 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC(CCC(N)=O)CC1 1749655145 DMLBMGRKJJECHB-UHFFFAOYSA-N 462.558 2.119 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1749727576 XUDUEAXTGSNAOP-FQEVSTJZSA-N 489.642 2.103 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2OC)nnc1N1CCc2oncc2C1 1749739654 IRFWDMIIJNFABZ-UHFFFAOYSA-N 459.528 2.017 30 10 JEEE CC1=C(Br)CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1751310540 GJYDYLSQJVUSAC-FQEVSTJZSA-N 492.399 2.245 30 10 JEEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 1760157508 RLEZQBUNYIWKHJ-OFNKIYASSA-N 480.661 2.370 30 10 JEEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1Cc1cnn(C)c1C)[C@@H]1CCS(=O)(=O)C1 1760191623 KUZISTJKPZNTOL-LJQANCHMSA-N 489.001 2.227 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@](C)(O)c2ccc(F)cc2)CC1 1760271733 JMDAMRDWZGEESG-SANMLTNESA-N 476.556 2.277 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc(C)c2)CC1 1760357256 HEHYZYBUZMKDKX-FQEVSTJZSA-N 459.616 2.408 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)CC1COC(C)(C)OC1 1760516249 ZLJOSLKZYVAPAT-UHFFFAOYSA-N 465.558 2.473 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(CC(C)C)C(=O)C1 1760518399 SZWFDUWLTNKUBS-UHFFFAOYSA-N 460.966 2.214 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CC1CC1)C1CCCCC1 1760554745 LNVXGRMIJIEOEQ-SFHVURJKSA-N 470.661 2.330 30 10 JEEE CCO[C@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2CC2(S(C)(=O)=O)CCCC2)CCOC1 1765888524 CKKULUVPLAEABB-IFMALSPDSA-N 465.620 2.418 30 10 JEEE CC(C)(C)OC(=O)N(CCC(=O)N[C@@H](CO)C(=O)Nc1cccc(C#N)c1)Cc1cccnc1 1867086176 VEZUBIQYXRWUHA-FQEVSTJZSA-N 467.526 2.196 30 10 JEEE N#Cc1ccc(COc2cn(C[C@@H](O)c3ccc(Cl)cc3)c(CN(CCO)CCO)cc2=O)cc1 1870349801 DNKMNLQFJLNKJX-RUZDIDTESA-N 497.979 2.473 30 10 JEEE COC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)(C)C)C2)n1/N=C/c1cc(OC)c(O)c(OC)c1 1874278586 WWPFONSTZNLMNW-LOLZCCBGSA-N 491.570 2.263 30 10 JEEE CS(=O)(=O)c1ccc2nc(N3CC(C(=O)N4CC[C@@H](Oc5cc(C#N)ccn5)C4)C3)sc2c1 1890981066 OUFNREFLOAZMIE-MRXNPFEDSA-N 483.575 2.083 30 10 JEEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@]1(C(=O)O)CCCN(C(=O)OC(C)(C)C)C1 2059916056 ZQCFZCONUWBFJE-QRQCRPRQSA-N 453.536 2.264 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N1C[C@H](O)CC12CN(C(=O)OC(C)(C)C)C2 2066536681 BHIODJWSEKDCNU-CVEARBPZSA-N 452.552 2.156 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@H]1CNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2247881330 WEDASDXXQRCJPT-JSGCOSHPSA-N 458.411 2.239 30 10 JEEE CC(C)(C)OC(=O)NC1(C(=O)Nc2ccc(Cl)c(B3OC(C)(C)C(C)(C)O3)n2)COC1 2256667094 YHDXYRZNUFVQRK-UHFFFAOYSA-N 453.732 2.266 30 10 JEEE CC(C)(C)OC(=O)NCC[C@H](O)C(=O)Nc1nc(B2OC(C)(C)C(C)(C)O2)ccc1Cl 2256667287 ZJTZDJDHLQJNAV-ZDUSSCGKSA-N 455.748 2.248 30 10 JEEE Cc1cc(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 2267150089 ASMCVZOUVHVIDF-HOTGVXAUSA-N 466.409 2.456 30 10 JEEE C[C@H](C[S@@](C)(=O)=NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn1C)NC(=O)OC(C)(C)C 2267261374 UGXDLGLOFZDJJZ-ORCIVFGKSA-N 469.413 2.476 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@@H](NC(=O)C(F)(F)F)[C@H](C)C1 2267527529 IVYAJHJCUYBRJU-ZYHUDNBSSA-N 461.315 2.280 30 10 JEEE CC(C)(C)OC(=O)N[C@]1(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C[C@H](O)C1(C)C 2268706454 ORHSFRANSCPYBI-QKVFXAPYSA-N 467.397 2.435 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CC(C(=O)NCc2cc(B3OC(C)(C)C(C)(C)O3)cs2)=C[C@@H]1O 2268719118 YPLQYIIFUAABQZ-SJORKVTESA-N 464.393 2.248 30 10 JEEE Cc1c(C(=O)N2C[C@H]3CC[C@H]2[C@H]3NC(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281799572 XNPWFAOESYMEGG-VYDXJSESSA-N 460.384 2.155 30 10 JEEE CC(C)(C)OC(=O)N1[C@H](CNC(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)C[C@H]2OCC[C@@H]21 2281802742 OBHMZZQUARLVPM-CWRNSKLLSA-N 479.408 2.339 30 10 JEEE Cn1ncc(C(=O)NC2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)c1B1OC(C)(C)C(C)(C)O1 2281828368 JNJIAXZEFKKNOC-HUUCEWRRSA-N 460.384 2.095 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H]2OCCN(C(=O)c3coc(B4OC(C)(C)C(C)(C)O4)c3)[C@H]2C1 2281829595 AKVMQFYUDNQMOM-DLBZAZTESA-N 462.352 2.429 30 10 JEEE Cn1cc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]3CC[C@@H]32)c(B2OC(C)(C)C(C)(C)O2)n1 2281971840 KXCNXICYJLASMA-OIISXLGYSA-N 460.384 2.237 30 10 JEEE Cn1nc(C(=O)N2CCC[C@]23CCN(C(=O)OC(C)(C)C)C3)cc1B1OC(C)(C)C(C)(C)O1 2281983419 ZUGPXZMUFCSZFV-HSZRJFAPSA-N 460.384 2.335 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1C[C@H]2CC[C@H]1N(C(=O)OC(C)(C)C)C2 2282043482 NUFFHVDIDUOQIT-DJIMGWMZSA-N 460.384 2.237 30 10 JEEE COC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2282100546 VZQQPCFMANXDFA-KRWDZBQOSA-N 461.368 2.089 30 10 JEEE COCC1(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2F)CN(C(=O)OC(C)(C)C)C1 2282400297 FDRSCAUEPOEZAB-UHFFFAOYSA-N 464.343 2.491 30 10 JEEE Cn1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2282550873 FPHXJXPSPXKEDU-CVEARBPZSA-N 460.384 2.333 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CC[C@](C)(NC(=O)C(F)(F)F)C1 2282551292 IRHWVWUMTBEYRA-FQEVSTJZSA-N 456.270 2.278 30 10 JEEE Cn1cc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC23CCC3)c(B2OC(C)(C)C(C)(C)O2)n1 2282579596 GYCSZWWTUDRDAE-MRXNPFEDSA-N 460.384 2.239 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H]3CCN(C(=O)OC(C)(C)C)[C@H]3C2)n1 2282600177 SQKQTIGPWORDRC-WBVHZDCISA-N 460.384 2.284 30 10 JEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)Nc2ccccc2CNC(=O)OC(C)(C)C)n1 2282621689 VYDYUWLASGXCEZ-UHFFFAOYSA-N 457.340 2.391 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCCC12CN(C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)C2 2282677030 SPAQYPRKDNPOJH-INIZCTEOSA-N 458.368 2.295 30 10 JEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CCNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2283059313 HNABAVUBWQAJEI-JKSUJKDBSA-N 460.384 2.399 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)NCCc1ccccc1B1OC(C)(C)C(C)(C)O1 2283925888 GGGVVWPWIIGLMR-LJQANCHMSA-N 460.380 2.280 30 10 JEEE CC(C)(C)OC(=O)NCCOCC(=O)N1CCc2c(cccc2B2OC(C)(C)C(C)(C)O2)C1 2283965152 PZMGMVLCXCAZRY-UHFFFAOYSA-N 460.380 2.412 30 10 JEEE COc1ccc([C@H]2C(=C(O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN(C)C)c(OC)c1 2296082485 GUHJFBIPZBKNSR-QFIPXVFZSA-N 468.506 2.458 30 10 JEEE CCOc1cc(C=Nn2c(SCC(=O)OC)nnc2[C@@H]2CC(=O)N(C(C)C)C2)ccc1O 2329035245 RTLHJVTULQTTPJ-OAHLLOKOSA-N 461.544 2.254 30 10 JEEE CO[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)N(C(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C1 2337400135 OYIFMKRFXAPJBO-UONOGXRCSA-N 467.397 2.197 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@H]2NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(O)cc1O 2359286245 QVELFTOJQVAVLU-QITLCBANSA-N 460.336 2.135 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CCOC[C@H]2OCc2ccccc2)n1C 2362439883 HZLHUXBWEJRYTR-RTBURBONSA-N 455.364 2.132 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2[C@@H]3[C@@H]2CCCN3C(=O)OC(C)(C)C)n1C 2362478348 KRQUAZPLRXGDST-OAGGEKHMSA-N 460.384 2.155 30 10 JEEE CCOC(=O)C1CCN(c2nc3c(c(=O)[nH]2)[C@@H](c2cccc(OCC)c2)[C@@H](C#N)C(=O)N3)CC1 72444766 PRAYKETVHDEPPT-MSOLQXFVSA-N 465.510 2.172 30 10 JEEE O=C(NCC#Cc1ccc(N2CCCCC2=O)cc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 96349339 JFSMKIKNQNKKCK-UHFFFAOYSA-N 481.574 2.006 30 10 JEEE NS(=O)(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCO4)[C@@H]2c2cccnc2)cc1 170356642 LYEAQVIOTKVTCJ-NRFANRHFSA-N 477.498 2.447 30 10 JEEE CC(C)[C@@H](NC(=O)CN1CCN(S(=O)(=O)c2ccccc2C#N)CC1)c1ccc2c(c1)OCCO2 510314599 LQXOJJCDPOASOE-RUZDIDTESA-N 498.605 2.149 30 10 JEEE C=CCN(C(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1)[C@@H]1CCS(=O)(=O)C1 512566381 WWZRNMMMOLAONT-OAQYLSRUSA-N 474.604 2.249 30 10 JEEE CCCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1c(C)cccc1C 729671055 BYRRRZOOPBLWJO-UHFFFAOYSA-N 457.559 2.193 30 10 JEEE COC(=O)c1ccc(C=NNc2nnc(SCC(=O)Nc3cccc(F)c3C)n2N)cc1 1084299548 KOXYLEJDWGHTJM-UHFFFAOYSA-N 457.491 2.403 30 10 JEEE CC(=O)c1ccc(NC(=O)CSc2nnc(NN=Cc3ccc([N+](=O)[O-])cc3)n2N)cc1 1084368349 DDGPRKXLHPCAPR-UHFFFAOYSA-N 454.472 2.280 30 10 JEEE C=C(Cl)C[C@@H](NC(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1)C(=O)OCC 1132415466 VSGPXHMRVNSXAW-MRXNPFEDSA-N 453.948 2.038 30 10 JEEE CN(C)S(=O)(=O)c1ccc(O)c(C(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c1 1136545490 BWXBFEVRXTZTAR-UHFFFAOYSA-N 456.524 2.005 30 10 JEEE C#CCN1CCC[C@H]1C(=O)N1CCC(c2n[nH]c(CNC(=O)OCc3ccccc3)n2)CC1 1167521566 YACCSEHHTFNGQK-FQEVSTJZSA-N 450.543 2.035 30 10 JEEE C[C@H]1C[C@H](NC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c2ccsc2S1(=O)=O 1225936350 DDMMNAGCMLAAOR-JURCDPSOSA-N 454.574 2.413 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(O)CCN(C(C)C)CC1 1286297291 VNIDQUAKWYYHIE-WOJBJXKFSA-N 490.649 2.280 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCCO3)n2CC(=O)NCC(F)(F)F)c1 1286312455 XYCBQZULLSOQMW-QGZVFWFLSA-N 478.475 2.254 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1Cc1ccccc1-n1ccnc1)[C@@H]1CCS(=O)(=O)C1 1286395628 RZAQJZIVFVWVED-HXUWFJFHSA-N 452.584 2.337 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@H](C)Oc1ccccc1)[C@H]1CCS(=O)(=O)C1 1286396644 WSFLSELQZZBGOD-FPOVZHCZSA-N 465.579 2.358 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC(=O)NCC(F)(F)F 1286460544 ZXNCLLAPFRBDIL-UHFFFAOYSA-N 461.448 2.100 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(F)cn1 1286465952 CGFWPGJEULFWFU-IBGZPJMESA-N 474.537 2.255 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cn4ccccc4n3)n2C[C@@H](C)SC)CC1 1286495265 YPICPPMQFWGVAN-QGZVFWFLSA-N 451.600 2.234 30 10 JEEE C#CCSCCn1c(Cc2ccncc2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1286508484 SGOPFAJHMOISNI-NFBKMPQASA-N 481.670 2.009 30 10 JEEE C#CCSCCn1c(N2CCS(=O)(=O)C3(CCCCC3)C2)nnc1[C@@]1(OCC)CCOC1 1286512039 HPTSNQLGOBSMTR-JOCHJYFZSA-N 482.672 2.234 30 10 JEEE C=C(Br)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1286531314 XATSEPXOGGAEFP-GDBMZVCRSA-N 493.793 2.485 30 10 JEEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1CCCN(S(C)(=O)=O)CC1 1286544870 OGGYGRWIIVVENI-UHFFFAOYSA-N 475.438 2.014 30 10 JEEE C=C(C)COCCn1c(-c2ccccn2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1286605072 HBFFXWGXUVUGSM-OAQYLSRUSA-N 467.618 2.456 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@H](C)OC(C)(C)C1 1286779353 HIDJBCANZJQGEX-HNNXBMFYSA-N 459.547 2.277 30 10 JEEE C=CCSCCn1c(Cc2ccccc2OC)nnc1N1CCCN(S(C)(=O)=O)CC1 1286833532 GQNLWQTXMUPIIY-UHFFFAOYSA-N 465.645 2.268 30 10 JEEE C[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCN(c2ccc(C#N)cn2)CC1)N1CCOCC1 1288652188 GXLREBJJXYXEAI-IBGZPJMESA-N 452.607 2.181 30 10 JEEE CCCN(CC)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1294523922 IDDMXTBOCOLZIG-JOCHJYFZSA-N 465.602 2.376 30 10 JEEE CCCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1294882090 AMSDHCQBIAKQPZ-UHFFFAOYSA-N 481.992 2.365 30 10 JEEE CNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2(COC)CCOCC2)C1 1299073421 GUBPHIYLNIYVJX-HXUWFJFHSA-N 452.559 2.222 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1CC1(O)CCS(=O)(=O)CC1 1300272264 AOQKEKTWPHDUJT-MSOLQXFVSA-N 476.599 2.214 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(N(C)C)CCSC1 1300310506 NFXKFTIKOVBQAD-IUKKYPGJSA-N 478.663 2.482 30 10 JEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1N(C)CCCC1(C)C 1300441311 KFRIQXDDOWCTQD-HXUWFJFHSA-N 458.632 2.385 30 10 JEEE C#CCN(c1nnc(-c2ccccc2)n1Cc1ccc(OC)nc1OC)[C@H]1CCS(=O)(=O)C1 1300488093 AQWJKHSQXDIEKH-IBGZPJMESA-N 467.551 2.032 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CC1(OC)CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1300496965 WTUYLKKRSKDBRD-GLCVTWPJSA-N 464.632 2.394 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCCSC1)[C@@H]1CCS(=O)(=O)C1 1300500897 FTXYDFAMCLAOHZ-FUHWJXTLSA-N 465.670 2.404 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@H](OC)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1300501870 NYWVVUNVNDNGDP-FCHUYYIVSA-N 482.610 2.154 30 10 JEEE C#CCN(c1nnc(CSc2ccc(Cl)cc2)n1Cc1cnnn1C)[C@@H]1CCS(=O)(=O)C1 1300504605 ORRWDNORWHNTKW-MRXNPFEDSA-N 492.030 2.027 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCCO2)n1Cc1cccc(CN2CCO[C@@H](C)C2)c1 1300677173 ZRGDJWXMCNPUKM-NZQKXSOJSA-N 453.587 2.485 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCCc2ccnc(C(C)(C)C)n2)CC1 1300719491 CXYHGUJOJMFTSL-UHFFFAOYSA-N 489.628 2.365 30 10 JEEE C#CCSCCn1c(-c2ccccc2F)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1300754558 RRYNKQVMNVHZAJ-UHFFFAOYSA-N 458.607 2.441 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCCS(=O)(=O)C1 1300813967 XDGISKCAUUADOJ-HRAATJIYSA-N 461.613 2.087 30 10 JEEE C=C(Br)Cn1c(N2CCO[C@@H](Cn3cccn3)C2)nnc1[C@]1(OC(C)C)CCOC1 1300862744 DGGCVJWFLJZOCS-XLIONFOSSA-N 481.395 2.329 30 10 JEEE C=C(C)COCCn1c(-c2cccnc2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1300983502 KELIUKUZAAGMAO-LJQANCHMSA-N 450.547 2.330 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1301483870 XGWKTZQLFUQOSS-ZIAGYGMSSA-N 450.385 2.257 30 10 JEEE C=CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(C)=O)C[C@H]1C 1301600564 CUEINXANJOXKJE-MRXNPFEDSA-N 463.629 2.325 30 10 JEEE CCOC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)NC(C)C)C1 1314030975 GTUACVJEBNZDGN-IBGZPJMESA-N 453.547 2.446 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CCc1nccnc1C)[C@@H]1CCS(=O)(=O)C1 1358967834 UCYCOTYSAISNTN-HXUWFJFHSA-N 480.594 2.133 30 10 JEEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OCC(F)(F)F)cc1 1359000355 SGHUQYGLPLXCBU-CQSZACIVSA-N 459.494 2.337 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@]1(N(C)C)CCSC1 1359023474 LOIRELGQYKUAAL-QHCPKHFHSA-N 467.599 2.117 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@@](C)(O)c2cccc(Cl)c2)CC1 1359044364 DHILABUEAJPDQC-MHECFPHRSA-N 471.989 2.309 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](OCc2cccc(OC)c2)C1 1359057234 VRYJUYZTTDJFPY-PZJWPPBQSA-N 490.651 2.351 30 10 JEEE C#CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(C)=O)C[C@@H]1C 1359057945 NCUYXERQUJROOD-PKOBYXMFSA-N 492.646 2.010 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1359094422 AWMPVGPDBVZRCH-HYBUGGRVSA-N 498.628 2.154 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H]1CCOc2ccccc21 1359240826 YCMOYRPRHZGGHY-PXNSSMCTSA-N 461.588 2.190 30 10 JEEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccnc1OCC(F)F)C1CC1 1359251520 NIRCYBJZPXUJQJ-OAHLLOKOSA-N 453.515 2.422 30 10 JEEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N(C)C1Cc2ccccc2C1 1359304086 KVPNIIKYSMOPFM-UHFFFAOYSA-N 450.568 2.175 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2N(C)CCCC2(C)C)C1 1359322452 VXZOFSHMNQEYKD-GUDVDZBRSA-N 451.637 2.082 30 10 JEEE CC(C)C[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1)N(C)C 1359768865 GRQGAWQLPWGHBI-LEWJYISDSA-N 452.607 2.352 30 10 JEEE C#CCN(CC(=O)N1CCOC2(CCN(C(=O)OC(C)(C)C)CC2)C1)C(=O)OC(C)(C)C 1456627926 OJWPLDWJFMIKDF-UHFFFAOYSA-N 451.564 2.485 30 10 JEEE CCOC(=O)Nc1ccc(NC(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)cc1C#N 1465970231 HXIGZQKYIBFUDF-SJORKVTESA-N 450.517 2.327 30 10 JEEE Cc1cnn(CCn2c(CCN3CCN(c4ccccc4)CC3)nnc2N(C)C[C@H](C)C#N)c1 1492627482 ADPKGWABRILOPY-OAQYLSRUSA-N 461.618 2.444 30 10 JEEE CCCNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1501154116 BEFUYGSRXJJGEV-OAQYLSRUSA-N 463.586 2.476 30 10 JEEE C#CCCCCn1c(N2CCN(CC(=O)N3CCCCC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1507573179 COKIZVRMLUNJFV-SANMLTNESA-N 486.661 2.257 30 10 JEEE C#CCN(C)c1nnc(COc2cc(C)ccc2C)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1507618603 QCJLGFJNSWBOKD-OAQYLSRUSA-N 452.603 2.486 30 10 JEEE C#CCN(c1nnc(C(C)C)n1Cc1ccc(N2CCCCC2)nc1)[C@@H]1CCS(=O)(=O)C1 1507623825 XSBCZEPCVMUOQA-HXUWFJFHSA-N 456.616 2.462 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H](OC)c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1507630763 GZXZSHXHKUFSCD-NHCUHLMSSA-N 469.542 2.494 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC(=O)NC(C)C 1507650306 HMVVCGQGUAVLFK-IBGZPJMESA-N 456.591 2.380 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCS(=O)(=O)CC=C 1507765817 VIBIMIPEMLBJCM-XMMPIXPASA-N 480.594 2.268 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)N1CCC[C@H](C)C1 1508018242 BDCGHNLUKQUODT-PMACEKPBSA-N 480.679 2.300 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1508136077 PGTCMIKFFZCZQD-LJQANCHMSA-N 492.609 2.231 30 10 JEEE C=CCSCCn1c(N2CCC([C@]3(C)NC(=O)NC3=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1508167274 HDGLYSVEAINTEI-XZOQPEGZSA-N 492.646 2.052 30 10 JEEE C#CCCCCn1c(N2CC[C@H](S(C)(=O)=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1539086478 GMDSQYVDJYDKSU-KSZLIROESA-N 465.620 2.476 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CCCCN1CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1539225116 LYJFGNDACPSWKD-GGAORHGYSA-N 484.670 2.403 30 10 JEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1C[C@](C)(O)c1ccco1)[C@H]1CCS(=O)(=O)C1 1539226052 UAWJRWGEYMBXSS-CPJSRVTESA-N 498.605 2.199 30 10 JEEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CN(CC(C)C)CCO1 1539299379 ITZFYYZGXKLNEB-DHLKQENFSA-N 457.619 2.138 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(-c3ccccc3)on2)n1CCCNS(C)(=O)=O 1539315631 QADJKYZERUDSNV-UHFFFAOYSA-N 452.540 2.002 30 10 JEEE C#CCN(CC#CC)c1nnc(Cc2ccccn2)n1CCCN1CCN(c2ccncc2)CC1 1539328455 SYYATXVPANDPBX-UHFFFAOYSA-N 468.609 2.334 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@@]2(O)CCO[C@H]2C)CC1 1539430245 IAKXXDAZRQPTBT-WATLYSKOSA-N 453.587 2.330 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2CCC2(O)CCC2)CC1 1539489081 GLPDPEPFLBAIOD-UHFFFAOYSA-N 455.534 2.267 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3CC)n2CCN2CCSCC2)CC1 1539490274 UVHDTXWZWZGHEJ-UHFFFAOYSA-N 496.681 2.434 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)c(C)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1539566356 HZUIDYNROOASCT-DHIUTWEWSA-N 458.584 2.016 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1539615353 HQYZVSUZPSWWQI-XSYGEPLQSA-N 456.547 2.147 30 10 JEEE C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)COc2ccc(F)cc2)CC1 1539963099 LBYWEFJVCHQLAY-HXUWFJFHSA-N 470.549 2.452 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1)C(C)C 1540148482 XFVCTDHEIGDDPR-QHAWAJNXSA-N 485.633 2.147 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c([C@@H]2CCOC2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1)C(C)C 1540152435 UPHQHKLEZMTHNL-CGXNFDGLSA-N 458.607 2.415 30 10 JEEE C=CCn1c(-c2ccccc2F)nnc1N1C[C@@H]2[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1540856588 NFTMAJNVBAXSNK-BPQIPLTHSA-N 477.562 2.397 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(F)cc2Br)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1540866561 RPWYNVKHNJNBEE-UKRRQHHQSA-N 482.354 2.389 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(C)nc3ccccc23)nnc1N(C)[C@H](C)CC(N)=O 1540898689 REFSNKAOBGTAEZ-MRXNPFEDSA-N 456.572 2.103 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1cn(CCCC)nc1C)[C@H]1CCS(=O)(=O)C1 1588055741 YUERHVJDOQYDKP-SFTDATJTSA-N 474.631 2.500 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@H](c1cccc(F)c1)N(C)C)[C@H]1CCS(=O)(=O)C1 1588064150 BPSHMCFMMZISRD-XZOQPEGZSA-N 496.612 2.333 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1CCCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1588069049 GAHIHUJQKNRTMK-NRFANRHFSA-N 482.610 2.387 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCN2CCCCC2=O)CC1 1588907956 IFTZUIUDFADORB-UHFFFAOYSA-N 484.004 2.362 30 10 JEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2ccc(F)cc2F)C1 1588983985 DZOUWHFSCBCBOT-KDOFPFPSSA-N 485.582 2.111 30 10 JEEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1589036498 JLXALNPXJKQRJT-UHFFFAOYSA-N 493.655 2.189 30 10 JEEE C#CCSCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCN(CC(=O)NCC)CC1 1589053309 MYCLXRJLHTWAIP-UHFFFAOYSA-N 479.610 2.225 30 10 JEEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1589134230 HLZKNWPNFSUCFF-ZJOUEHCJSA-N 471.631 2.264 30 10 JEEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 1594733868 ZFCJHZKGLOAHAV-GVDBMIGSSA-N 453.609 2.496 30 10 JEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 1594813359 RFLOBCSSFHKQNG-ZWKOTPCHSA-N 483.635 2.124 30 10 JEEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCCN1CCC[C@H]1CO 1594962948 OERMTPCHASUWEU-VQTJNVASSA-N 478.638 2.446 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](CN2CCCCCC2)C1 1595467086 PYCXJGFGQSBRGQ-HXUWFJFHSA-N 480.617 2.320 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC(NC(=O)Nc2ccccc2)CC1 1595544912 NRTMPLPYSWNVRR-SFHVURJKSA-N 467.574 2.265 30 10 JEEE CC(=O)N1CCN(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCCN(C(C)(C)C)CC2)CC1 1596282168 FEIHVZDHWMMOPT-UHFFFAOYSA-N 478.645 2.291 30 10 JEEE CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(Cc2csc(C)n2)CC1 1614987775 HXLGXYLOIMIMMB-UHFFFAOYSA-N 494.625 2.342 30 10 JEEE CCOc1ccc(O[C@H](C)c2nnc(N3CCO[C@H](C#N)C3)n2CCC2(O)CCOCC2)cc1 1616415911 CYMSZVBPBYUGFR-WIYYLYMNSA-N 471.558 2.477 30 10 JEEE CCS(=O)(=O)CCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCO[C@H](C#N)C1 1617327569 FVOIUBAELZQALI-GOSISDBHSA-N 461.588 2.452 30 10 JEEE CN(C)S(=O)(=O)c1ccccc1Cn1c([C@H]2CCOC2)nnc1N1CCC[C@](C)(C#N)C1 1617705584 AVHQRKJGZXFNIP-PGRDOPGGSA-N 458.588 2.211 30 10 JEEE COCC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1619565021 CNQWNUAUDVLVTB-UHFFFAOYSA-N 467.574 2.064 30 10 JEEE COCCn1cc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(C(=O)NC(C)(C)C)CC2)cn1 1619923961 HAIAQPWSCOICER-UHFFFAOYSA-N 491.600 2.338 30 10 JEEE C=CCOc1ccc(CNC(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccc(Cl)cc2)cc1 1627150647 MBIUKZBPGPOSGA-PXNSSMCTSA-N 450.944 2.345 30 10 JEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc2c(c1)N(C)C(=O)CO2 1628490355 CQDGMBGCIXWIFW-INIZCTEOSA-N 456.524 2.278 30 10 JEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)C(F)(F)F)CC1 1635389898 SWPGRZKZKXXHFI-ZACQAIPSSA-N 475.508 2.368 30 10 JEEE Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)cc1 1641497418 AXIAQKZYPMCRCV-IBGZPJMESA-N 455.584 2.100 30 10 JEEE C=CC[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1 1657641125 JPEOSRJUGVYEOY-HHXXYDBFSA-N 455.602 2.408 30 10 JEEE C=C1CCC(CNC(=O)N2CCN(S(=O)(=O)c3ccc(OC)c([N+](=O)[O-])c3)CC2)CC1 1683956934 DCNDSHODIYXEKV-UHFFFAOYSA-N 452.533 2.366 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1cccc(Cn2cccn2)c1)[C@H]1CCS(=O)(=O)C1 1689980850 YGNBLWBABHNRLC-NRFANRHFSA-N 466.611 2.495 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1C[C@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1689983863 IFAVGSIPNAWRMW-GOEBONIOSA-N 453.971 2.314 30 10 JEEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1690003012 AGMJCQBUPRHNRY-SIKLNZKXSA-N 483.535 2.045 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 1690113680 QHWKRWJGPFZWOD-NBGIEHNGSA-N 488.633 2.085 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2CCCc2nc(C)no2)CC1 1690139711 YDFUPSVGFDZHOR-UHFFFAOYSA-N 463.542 2.244 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@@H](OCC)c2ccccc2)CC1 1690142620 RNIRLWPDCPCIHG-JOCHJYFZSA-N 459.554 2.479 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1C[C@@H]1C[C@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1690187922 AEFZJDYVYDEAQR-PLGVSFSBSA-N 486.617 2.433 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)OCCOC)n1C[C@H](N1CCOCC1)C(F)(F)F 1690192706 CSNBDIXKVXWQLF-ABSDTBQOSA-N 459.513 2.257 30 10 JEEE C=C(Br)Cn1c(-c2noc3c2COCC3)nnc1N1CCN(C(=O)N(CC)CC)CC1 1690226682 ILUGRAIFXJMHSL-UHFFFAOYSA-N 494.394 2.498 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(=C)C 1690560412 TYGPQPRBNNMGGQ-FQEVSTJZSA-N 456.572 2.251 30 10 JEEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCN(CCOC)[C@H](CC)C1 1690669136 VLOJPMNVHSPNDG-GOSISDBHSA-N 451.575 2.276 30 10 JEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 1690674091 OSKOAXSSQDORSR-RHSMWYFYSA-N 475.619 2.285 30 10 JEEE C=CCNC(=O)Cn1c(Nc2cnn([C@H]3CC3(F)F)c2)nnc1-c1cccc(S(C)(=O)=O)c1 1690678286 QWQFOPUABCVUJD-INIZCTEOSA-N 477.497 2.171 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](C)Oc2ccccc2OC)C1 1690699890 KOXFFEXZPWFZCM-CEXWTWQISA-N 476.599 2.438 30 10 JEEE CC[C@@H](C)NC(=O)c1cccc(Cn2c(CN3CCCC3=O)nnc2N2CC[C@](F)(C#N)C2)c1 1694263120 CPLMSFKWOSOHDL-OSPHWJPCSA-N 467.549 2.419 30 10 JEEE CN(c1nnc(-c2cccc(C#N)c2)n1CC(=O)NCC(F)(F)F)[C@@H]1CCCN(c2cccnn2)C1 1696630385 AOKACTJYGBGNHZ-GOSISDBHSA-N 499.501 2.390 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@H](c2ccco2)N(C)C)c1 1705504356 UBJJTNNOHQZGCM-HXUWFJFHSA-N 477.569 2.368 30 10 JEEE C#CCCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CC(=O)N1CCOCC1 1705515634 JDLMTTRYUQNDKI-HXUWFJFHSA-N 488.633 2.491 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1Cc1cc(C)nn1C)[C@H]1CCS(=O)(=O)C1 1705560484 KZVZCBPVEUESME-MJGOQNOKSA-N 486.573 2.274 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1ncnn1C(C)(C)C 1705596165 VHLLHBINVAGXIN-UHFFFAOYSA-N 455.526 2.452 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCCOc1ccc(OC)cc1 1705668541 OMIUCWSFYZKGJB-HTAPYJJXSA-N 461.588 2.358 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(CC(=O)NC(C)C)CC1 1705740495 NEIYCXCVDGRSOI-IFMALSPDSA-N 476.666 2.436 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(O)(CCC)CCC)CC1 1705768982 FWLAAOMHDFJUHX-GOSISDBHSA-N 455.625 2.099 30 10 JEEE C=CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1705887005 YPOARWALTKEFTH-GOSISDBHSA-N 484.601 2.290 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1705906862 QXTSXGIABLCHKN-LJQANCHMSA-N 470.574 2.491 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCN(C(=O)NCC)CC1 1705934100 BDUCRWXEOAKMJY-UHFFFAOYSA-N 499.597 2.052 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCc2c(ccnc2O)C1 1705938873 LJUUSQPJZJAWSG-RTBURBONSA-N 475.615 2.461 30 10 JEEE CCC[C@H](C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCC2(CC1)COC(=O)N2 1709459828 DWTHVTVJDZUHBD-KRWDZBQOSA-N 465.558 2.448 30 10 JEEE CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1CCCc1nc(C)no1 1710857531 DLFIEPKYRKWQTE-HNNXBMFYSA-N 457.560 2.400 30 10 JEEE CNC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCn2cc(Cl)cn2)C1 1711347797 HCGIAFMXQYYYJW-QGZVFWFLSA-N 468.949 2.241 30 10 JEEE CNC(=O)CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)C(C)(C)C)CC1 1711372063 ICMWSFMZEUQYBY-UHFFFAOYSA-N 472.615 2.383 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCNS(=O)(=O)CC 1722304419 ZJXWVDKNLGGOHO-SJORKVTESA-N 468.624 2.137 30 10 JEEE C#CCCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1722313397 VSEWIUCNOMSKSN-UHFFFAOYSA-N 459.572 2.338 30 10 JEEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1722346773 WODRCQFBVJSHOU-SFHVURJKSA-N 485.532 2.071 30 10 JEEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccccc1CN1CCC(O)CC1 1722357179 SSLUEYWIBFRKJQ-UHFFFAOYSA-N 478.622 2.344 30 10 JEEE C#CCN(c1nnc(-c2ccc(OCC)c(OC)c2)n1CC1(C)COC1)[C@H]1CCS(=O)(=O)C1 1722360609 BEBSPJCIMVBFNW-SFHVURJKSA-N 474.583 2.016 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H](CC(C)C)NC(=O)OCC)[C@@H]1CCS(=O)(=O)C1 1722361389 MPJDDCPTOQBIOO-WOJBJXKFSA-N 488.614 2.128 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1CCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1722369790 HEHVZQNVXQBOFK-NRFANRHFSA-N 482.610 2.306 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCCN2CCN(CC)CC2)CC1 1722434597 RSVNUTYOGQUKFL-UHFFFAOYSA-N 471.053 2.166 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2csc(COC)n2)CC1 1722443906 PMWVINBKPBTVNO-UHFFFAOYSA-N 475.578 2.434 30 10 JEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2ccc(CC)cc2)C1 1722451381 JMEWQLVCRIYEQL-XLIONFOSSA-N 477.656 2.395 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1722511095 YOFWWHHDHKDEEZ-ANULTFPQSA-N 482.647 2.183 30 10 JEEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 1722626736 GARRNQQYUUAYNO-OALUTQOASA-N 467.574 2.380 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](c2nc3c(s2)CCCC3)C1 1722692005 DEYWXNDOPBYBAA-MRXNPFEDSA-N 471.631 2.438 30 10 JEEE C=CCOc1ccccc1Cn1c(N2CCNC(=O)[C@H]2CC)nnc1[C@@]1(OCC)CCOC1 1722708342 QLDMJJKHSABCDK-NTKDMRAZSA-N 455.559 2.258 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCc2c(ccnc2N(C)C)C1 1722729735 VPAMSJYMCFGISW-UHFFFAOYSA-N 487.655 2.258 30 10 JEEE C=CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC2(CC1)CNC(=O)C2 1722735377 QCEWEPQLCDLWFU-UHFFFAOYSA-N 475.640 2.374 30 10 JEEE CCO[C@]1(c2nnc(N3CCC(C#N)CC3)n2CCNC(=O)c2ccc(C)cc2)CCOC1 1728778074 FADMLSZNXGTYRV-XMMPIXPASA-N 452.559 2.409 30 10 JEEE CN(C[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCCC2)C1)S(C)(=O)=O 1729468104 BFBDKDGWJXYPQJ-OAQYLSRUSA-N 485.658 2.410 30 10 JEEE C#CCN(C)c1nnc(COc2ccc(Br)cc2)n1Cc1nnnn1CC1CC1 1740613634 OYGPTZOKBHLPTH-UHFFFAOYSA-N 457.336 2.134 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccccc3Br)n2CCNC(=O)c2ccco2)CC1 1740693620 FMHPUSCGJCYURR-UHFFFAOYSA-N 483.370 2.486 30 10 JEEE C=C(Br)Cn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1740742881 FAJSNTSISGCLIX-UHFFFAOYSA-N 474.407 2.302 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCS[C@H](C(C)C)C1 1740750424 BTPGYBUZXBAEII-BDXSIMOUSA-N 457.666 2.447 30 10 JEEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1740783761 VCNDZUHQALTYRL-UHFFFAOYSA-N 454.604 2.292 30 10 JEEE C=C(C)Cn1c(N2CCN(c3cnn(C)c3)C(=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740786188 TVJNFBZKAQCPEO-CALCHBBNSA-N 470.578 2.212 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1740966587 UJJMAGIOVVJJSB-ZMSDIMECSA-N 486.539 2.004 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1740989895 ZXJRLGCXWFSIMJ-UHFFFAOYSA-N 472.615 2.272 30 10 JEEE Cc1cc(C)cc(OCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)c1 1742114649 GPLXEFVURZLQCU-OXJNMPFZSA-N 450.540 2.026 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCCO3)n2CC(=O)NCc2ccco2)c1 1748692007 AZXKHCCGOFDFPK-OAQYLSRUSA-N 476.537 2.485 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](OC)C(C)(C)C)c1 1748692971 UIRYJAJGRQSLHR-RBUKOAKNSA-N 452.559 2.347 30 10 JEEE COc1ccc(CCc2nnc(N3CCC[C@@](C)(C#N)C3)n2CCCn2cc(CO)nn2)cc1 1748720012 DYZRMHGCSHLEKW-DEOSSOPVSA-N 464.574 2.376 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1748802063 KOWUDQWDGHAECN-LEWJYISDSA-N 485.610 2.343 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1CCc1ccn(C)n1)[C@@H]1CCS(=O)(=O)C1 1748810516 XJISGXZODUHNPC-QGZVFWFLSA-N 476.965 2.341 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1748979544 DPLSTQQARYYAAC-SFHVURJKSA-N 471.403 2.378 30 10 JEEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 1749268646 DWFHOVTYOAOVPL-HOTGVXAUSA-N 458.028 2.311 30 10 JEEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1749454166 CXTQQTZBJIWPAI-UHFFFAOYSA-N 453.469 2.223 30 10 JEEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1749454941 NAXKMBXHPDSVAW-UHFFFAOYSA-N 451.506 2.429 30 10 JEEE C=CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H]1CCCN(C(C)=O)C1 1749597413 FXGOSTWVHREJSG-GOSISDBHSA-N 465.558 2.491 30 10 JEEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)OC1CCCC1 1749652013 FTJHIEVNPDOSJA-UHFFFAOYSA-N 461.592 2.159 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2Cc2cnn(C)c2C)C1 1749696187 QIILOFMCZBIHDR-FQEVSTJZSA-N 485.614 2.067 30 10 JEEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCS[C@@H](C(C)C)C1 1749738678 UQXZFYGSBIZCTL-QGZVFWFLSA-N 483.685 2.448 30 10 JEEE CC(C)(C)NC(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@](F)(C#N)C1 1750484951 DQARSXSTGBXWTL-OAQYLSRUSA-N 462.551 2.095 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1CCN(C(=O)OC)CC1 1760101614 TUJLJZVOOXAPFQ-MRXNPFEDSA-N 487.630 2.483 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC(F)(F)Br)[C@@H]1CCS(=O)(=O)C1 1760188426 PDHGJPSDDCMUDA-OLZOCXBDSA-N 467.336 2.134 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCc1nc2c(s1)CCCC2 1760209721 HKISUQNJMGVTPG-QGZVFWFLSA-N 474.656 2.319 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(Br)cn2C)n1CCCN(C)S(=O)(=O)CC 1760211329 DOXVJILOGWZZPI-UHFFFAOYSA-N 495.447 2.181 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCOC[C@H]1C 1760294692 DQSQIUXCKOXLFM-OHUGHZGNSA-N 488.633 2.299 30 10 JEEE C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1760342275 DSGLQSNHGWYAPT-UHFFFAOYSA-N 471.425 2.482 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 1760465117 XIQFXURLLVDQNZ-DLBZAZTESA-N 453.609 2.450 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCCN(C(=O)CC2CCCC2)CC1 1760556583 ITPJZNUNBQCYTL-UHFFFAOYSA-N 463.648 2.450 30 10 JEEE C[C@H]1C[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N(C)C2CCN(S(C)(=O)=O)CC2)CCO1 1762742492 IAOBDQUNWFKQEH-PKOBYXMFSA-N 472.615 2.492 30 10 JEEE C[S@](=O)Cc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@](C)(C#N)C2)cc1 1771371688 DATRPHQJIUOCAT-PAPMNIFLSA-N 475.640 2.237 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)COc2cccnc2NC(=O)OCCOC)nc1C 1858699457 VTCDBFZZVWCSGA-UHFFFAOYSA-N 450.473 2.402 30 10 JEEE C=CCOC(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1 1859011567 KRSGUMULIUUZJP-UHFFFAOYSA-N 463.468 2.177 30 10 JEEE Cc1c(Cl)cccc1-n1nnc(C#N)c1NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1870155452 OCRDSCOXJSJNOF-UHFFFAOYSA-N 465.813 2.244 30 10 JEEE C=CCn1cc(OCC(=O)Nc2ccccc2)c(=O)cc1CN1CCN(c2ncccn2)CC1 1870758210 SUYHSHYAHHTSHJ-UHFFFAOYSA-N 460.538 2.164 30 10 JEEE C=CCn1c(C(=O)N2CCC(C(N)=O)CC2)cc2c(NC[C@@H](c3ccc(O)cc3)N(C)C)ncnc21 1875231446 NIFHPYSNUKDVTJ-QFIPXVFZSA-N 491.596 2.375 30 10 JEEE CC(C)N1C(=O)CS[C@H](C(=O)N2CCC([C@H]3CNC(=O)O3)CC2)[C@@H]1c1ccc(C#N)cc1 1889995130 ASMOCJQGTHQWLZ-GIVPXCGWSA-N 456.568 2.299 30 10 JEEE CN1CCN(CC#CCOC2CCN(C(=O)c3cc(Cl)ncc3Br)CC2)CC1 1891049703 XLYXTHNWIQMZCX-UHFFFAOYSA-N 469.811 2.370 30 10 JEEE N#Cc1ccc(Cl)cc1NC(=O)COC(=O)C=Cc1ccc(S(=O)(=O)N2CCOCC2)cc1 2042439729 POOCIMXXWBMEMT-UHFFFAOYSA-N 489.937 2.428 30 10 JEEE CC(C)(C)OC(=O)NCc1cn(CC(=O)N2CC[C@@H]3C[C@@]3(B3OC(C)(C)C(C)(C)O3)C2)nn1 2194120292 IQMXYUJCNLGUJG-IVZQSRNASA-N 461.372 2.388 30 10 JEEE CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCN1c1ncccc1B1OC(C)(C)C(C)(C)O1 2241050536 XYSPXDXTXYJVGH-KRWDZBQOSA-N 461.368 2.370 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1CCN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2247881007 PJSMSIBOMWOKAB-CYBMUJFWSA-N 458.411 2.335 30 10 JEEE CO[C@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C[C@@H]1NC(=O)OC(C)(C)C 2255833194 YZJKLZVLDVSDHB-GJZGRUSLSA-N 452.382 2.411 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1COCCN(C(=O)c2csc(B3OC(C)(C)C(C)(C)O3)c2)C1 2255846960 UCUJYOXNZYDFEG-OAHLLOKOSA-N 452.382 2.413 30 10 JEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2256614251 MFZPIBROMZYTSL-CHWSQXEVSA-N 453.370 2.263 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2[C@H](NC(=O)c3cscc3B3OC(C)(C)C(C)(C)O3)CO[C@H]2C1 2266997021 KMCYRSRLGOISIY-XKQJLSEDSA-N 464.393 2.411 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H](CNC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C(F)(F)F 2267140433 CGJCODIMFJLCEG-LLVKDONJSA-N 462.278 2.142 30 10 JEEE CC(C)(C)OC(=O)NC1CCN(CC(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)s2)CC1 2268652562 HOMNQBPDNHGQAU-UHFFFAOYSA-N 466.413 2.370 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@](C)(C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C1 2268656517 XZUZQTXUXXMFNQ-OAQYLSRUSA-N 467.397 2.085 30 10 JEEE CC(C)(C)OC(=O)N(CC(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1)[C@@H]1CCOC1 2272552539 KCWDGDLDENXNKR-CQSZACIVSA-N 467.397 2.085 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)NCC(F)(F)C1(O)CN(C(=O)OC(C)(C)C)C1 2272903215 GDENGSYKIBUGPB-CQSZACIVSA-N 476.521 2.307 30 10 JEEE Cc1c(C(=O)N[C@]23CCN(C(=O)OC(C)(C)C)C[C@@H]2C3)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281808041 UEIRXDJKNKIJPE-WNSKOXEYSA-N 460.384 2.157 30 10 JEEE Cn1nc(C(=O)NC[C@]2(F)CCCN(C(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2281964749 BVPLDOJSKIKQQU-JOCHJYFZSA-N 466.363 2.188 30 10 JEEE Cn1nc(C(=O)N[C@H]2C[C@H](CNC(=O)OC(C)(C)C)C2(C)C)cc1B1OC(C)(C)C(C)(C)O1 2281970188 CAVKAJBYGWFCOV-ZBFHGGJFSA-N 462.400 2.389 30 10 JEEE Cc1nn(C)c(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(F)(F)F)c1B1OC(C)(C)C(C)(C)O1 2281979021 KNEYXWWGVOKYKX-GFCCVEGCSA-N 476.305 2.213 30 10 JEEE Cn1cc(C(=O)N2CC[C@H]3CN(Cc4ccccc4)C[C@H]3C2)nc1B1OC(C)(C)C(C)(C)O1 2282044873 XEMYVTCMAJNFAW-PMACEKPBSA-N 450.392 2.313 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(C(=O)NC[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)c1 2282112554 DMENUDSCBNLBQE-DEOSSOPVSA-N 460.380 2.396 30 10 JEEE CC[C@@H]1CC[C@H](NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CN1C(=O)OC(C)(C)C 2282173620 AHFZGZBYLIIEKA-LSDHHAIUSA-N 463.388 2.022 30 10 JEEE C[C@@H]1C[C@H](NC(=O)C(F)(F)F)CCN1S(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2282349690 BYMRKUXDDSYWMQ-ZIAGYGMSSA-N 476.326 2.206 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2F)C[C@@H](O)C1 2282400868 JJQRPQDRMLZUNS-MRXNPFEDSA-N 464.343 2.179 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](NC(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2F)C1 2282414289 QOLCHTRHNBNBKS-SJORKVTESA-N 464.343 2.225 30 10 JEEE CN(C[C@H](O)CN(C)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1)C(=O)OC(C)(C)C 2282472992 FOEAZYLMSFTYNJ-MRXNPFEDSA-N 466.359 2.425 30 10 JEEE Cn1ncc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C2CC2)c1B1OC(C)(C)C(C)(C)O1 2282538618 IMYNKLVTWUDTDZ-IAGOWNOFSA-N 460.384 2.237 30 10 JEEE Cc1c(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@H]2C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282555717 XRIQJQWIYDNNRI-CVEARBPZSA-N 462.400 2.498 30 10 JEEE CCc1nn(C)c(C(=O)N(C)CC2CN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2282559057 NCHZNTQESQTKJA-UHFFFAOYSA-N 462.400 2.221 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@](C)(CNC(=O)OC(C)(C)C)C1 2282586728 CEDVCVUUEWGFFG-HSZRJFAPSA-N 462.400 2.405 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@H]1CN(C(=O)c1ncc(B3OC(C)(C)C(C)(C)O3)cn1)C2 2282610759 BDSVBKLJNRZFOG-HLLBOEOZSA-N 458.368 2.151 30 10 JEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCc2ccccc2NC(=O)OC(C)(C)C)n1 2282612298 SETYGPZCJATSRL-UHFFFAOYSA-N 457.340 2.391 30 10 JEEE Cc1ccc(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 2282670981 NVUFJCNIXGKXEK-OALUTQOASA-N 460.380 2.394 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CC[C@]1(C)CCOCc1ccccc1 2282853911 LAHVKGFRJSBIGY-HSZRJFAPSA-N 475.420 2.479 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)ccc1F 2283963236 KSKFXWMVPUEJEF-WMZOPIPTSA-N 464.343 2.111 30 10 JEEE CC(C)(C)OC(=O)N(CCO)CC(=O)N1CCCc2cccc(B3OC(C)(C)C(C)(C)O3)c21 2283968207 JGOIFANPXSJBPW-UHFFFAOYSA-N 460.380 2.494 30 10 JEEE CC(C)(C)OC(=O)NC1CN(CC(=O)N2CCc3cc(B4OC(C)(C)C(C)(C)O4)ccc32)C1 2283985487 JJGFSTTXZUSEHY-UHFFFAOYSA-N 457.380 2.084 30 10 JEEE COC1CC(NC(=O)OC(C)(C)C)(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)c(C)n2)C1 2284052383 XKMYBASCPCSUCW-UHFFFAOYSA-N 462.356 2.095 30 10 JEEE C[C@H](NC(=O)C1(NC(=O)OC(C)(C)C)CC(CO)C1)c1nscc1B1OC(C)(C)C(C)(C)O1 2284063825 QGNNJBJGRAFAIA-QSLFRCLVSA-N 481.424 2.285 30 10 JEEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@H](COCc3ccccc3)C(=O)O)cc2F)OC1(C)C 2284413067 GKJXURZSMDWFIW-LJQANCHMSA-N 479.335 2.073 30 10 JEEE C[C@@H](NS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1)[C@H]1CCCN1C(=O)OC(C)(C)C 2286905821 FCVCFBAJLSOQBH-CRAIPNDOSA-N 481.424 2.447 30 10 JEEE COc1ccc(C(O)=C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccccn2)cc1F 2296621170 LQJKFIICXAKVQJ-NRFANRHFSA-N 455.486 2.373 30 10 JEEE COc1cccc(C=CC(=O)[C@@H]2CNCC[C@@H]2NC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)c1 2318584522 GQCZNELOYRHJGF-HVETUWLQSA-N 461.518 2.057 30 10 JEEE COC[C@@](CCCNC(=O)OC(C)(C)C)(C(=O)O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 2346917892 PYWDHRRDQLXZAN-RDPSFJRHSA-N 460.575 2.471 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2CN(Cc3ccccc3)C[C@]2(C)C1 2362344914 YBMYDDLHGBHUPC-UQBPGWFLSA-N 450.392 2.313 30 10 JEEE C[C@@H]1C[C@@H](NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)CCN(C(=O)OC(C)(C)C)C1 2362352994 IDXQQFLRRFQVMF-CVEARBPZSA-N 462.400 2.485 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(N4CCOCC4)cc3N3CCOCC3)cc2C1=O 14390674 XBQCQRSWAHNJSY-UHFFFAOYSA-N 476.533 2.394 30 10 JEEE CCOc1ccccc1C(=O)NCCCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 18039250 WRMGPKGVPNXBSX-UHFFFAOYSA-N 484.578 2.000 30 10 JEEE CCOc1cc(/C=N/Nc2nnc(SCC(=O)Nc3ccc(C(C)=O)cc3)n2N)ccc1O 21326622 SHWPEMRHBZQNAV-FOKLQQMPSA-N 469.527 2.476 30 10 JEEE CC(C)CC(=O)N[C@H](C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)c1ccccc1 110586045 JMMNOEFMUYPNLE-QHCPKHFHSA-N 468.579 2.295 30 10 JEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NC[C@H](c2ccccc2)N2CCCC2)CC1 514566235 AOTAIOSYFMZOTM-JOCHJYFZSA-N 467.595 2.411 30 10 JEEE C#CCN(CC(=O)O)C(=O)[C@@](C)(COC)NC(=O)OCC1c2ccccc2-c2ccccc21 757447784 KODGOLUVSIUIRA-RUZDIDTESA-N 450.491 2.477 30 10 JEEE COC(=O)[C@H](NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)c1cccc2ccccc12 1155490699 IFQBOIRSNYPMJK-OAQYLSRUSA-N 451.504 2.299 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)CC(=O)Nc2cccc(C(=O)N3CCSCC3)c2)c1 1167070276 FENGXSYXZNVVNN-UHFFFAOYSA-N 450.564 2.366 30 10 JEEE Cc1cc(C(=O)NC2CCN(S(=O)(=O)c3ccc(C#N)c(Br)c3)CC2)no1 1208554850 FHYHPFLPFISAAK-UHFFFAOYSA-N 453.318 2.200 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCC(=O)N1CCCCCC1)[C@H]1CCS(=O)(=O)C1 1286384547 RLZQIJGVBSMWET-NRFANRHFSA-N 499.637 2.373 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC[C@H](C)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1286396104 UFVGYPQDFWENOB-PWRODBHTSA-N 463.648 2.063 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cc(F)ccc1N1CCOCC1 1286396902 JQNTUHISSKQBCM-UHFFFAOYSA-N 473.512 2.022 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(Br)cc2)n1CCC(=O)N1CCOCC1 1286461270 WKZDIKMZVNECNF-UHFFFAOYSA-N 476.375 2.043 30 10 JEEE C#CCN1CCN(c2nnc(CC3CCCC3)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC1 1286483416 KCXFHNJZODTVGI-LJQANCHMSA-N 454.541 2.029 30 10 JEEE C=C(C)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1286588990 PFRWCEKVUOEAAH-UHFFFAOYSA-N 484.601 2.490 30 10 JEEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccc(Cl)cc2C1 1286607191 CMQCSBASEYNCDV-HXUWFJFHSA-N 496.033 2.420 30 10 JEEE C=C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCN2CCN(C(C)=O)CC2)CC1 1286636408 AVVNZFQDTPJUOJ-UHFFFAOYSA-N 486.020 2.182 30 10 JEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1CCN(Cc2ccccc2)C1 1286699651 GKLNHSRZOLFFJM-YADHBBJMSA-N 488.658 2.288 30 10 JEEE C=CCCOCCn1c(N2CC(=O)N(C)C[C@H]2C)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1286714765 VYTZPGHOCQOLKU-KURKYZTESA-N 462.595 2.308 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1286780686 YKFQEQKYGUWSSM-LBPRGKRZSA-N 488.383 2.018 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccn3C)n2CCNS(=O)(=O)c2ccccc2)C1 1286803847 HMRVGXVKGPDQPH-GOSISDBHSA-N 456.572 2.043 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1286816626 KKXIPIXAIVSYJV-UHFFFAOYSA-N 495.671 2.105 30 10 JEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1C[C@@H](c2ccccc2)C[C@@H]1C 1286824495 ZSDHNTFUWVVGFT-ICSRJNTNSA-N 457.600 2.384 30 10 JEEE CCOc1ccc(C(=O)NCC(=O)N2CCN(c3snc(C)c3C#N)CC2)cc1OCC 1298721310 FDOMUVHUBHGPBS-UHFFFAOYSA-N 457.556 2.199 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)CC)n2C[C@H]2CCCN2S(C)(=O)=O)c1 1300331205 GRXNAIGZWVMNDP-FXAWDEMLSA-N 472.615 2.272 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OCC)CCOC3)n2Cc2cccnc2OC)c1 1300331368 JXZBFGNBIRKHDS-AREMUKBSSA-N 490.564 2.438 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2CC[S@](=O)C(C)(C)C)c1 1300333199 YGXMSPKADOPDPJ-XIFFEERXSA-N 465.583 2.339 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1ccc(OCC)cc1)[C@@H]1CCS(=O)(=O)C1 1300486969 CMQXKFQRFPDJFV-LJQANCHMSA-N 451.552 2.414 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H](c1ccc(CC)cc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1300496082 NVRSGCQYQMXIMM-VJBWXMMDSA-N 485.654 2.274 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1CCc1cccc(C(N)=O)c1 1300513119 RGRSYPWAFYJANL-UHFFFAOYSA-N 465.355 2.461 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@H](C)N2CCN(CC)CC2)CC1 1300684290 ZHRAOICUJIMDAO-FCHUYYIVSA-N 483.636 2.338 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H]2CCCCN2CCCC)CC1 1300719993 YLOIKJITTDGKDD-QFIPXVFZSA-N 466.634 2.299 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2ccccc2)C[C@@H]1C 1300764511 XJAIJZCIFDWBBA-PZJWPPBQSA-N 473.668 2.257 30 10 JEEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CCS(C)(=O)=O)C1CC1 1300952316 QMAHFUKKVRRCBL-QGZVFWFLSA-N 469.608 2.176 30 10 JEEE C=C(C)COCCn1c(-c2ccccc2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1300982225 FCGBAHLWOHUYNS-UHFFFAOYSA-N 485.614 2.091 30 10 JEEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1301135095 GZQOHDJVJWCSMG-UHFFFAOYSA-N 471.650 2.251 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1301350396 WXERMWWMHZHLND-QGZVFWFLSA-N 478.594 2.030 30 10 JEEE C=CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1301435720 OARDERUUSYIEPS-UHFFFAOYSA-N 460.485 2.004 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@@H]1[C@H]1CCCO1 1301479107 TZVCBVZCLKJURU-RTBURBONSA-N 472.977 2.312 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCCN(Cc2ccc(OC)cc2)C(=O)C1 1301587271 XZXAFUTVFZZGCC-UHFFFAOYSA-N 473.599 2.004 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCc2ccc(OC)cc2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1301587730 YBJYTTDHQREXLX-CYFREDJKSA-N 490.626 2.057 30 10 JEEE CC(=O)Nc1c[nH]nc1[C@H]1CCCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C1 1307671712 GKJHGCRNVCQZDS-PKOBYXMFSA-N 455.588 2.018 30 10 JEEE COCC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCC[C@H]2C)CC1 1315753774 CARIRBVJRSWEST-GOSISDBHSA-N 451.575 2.032 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1CC(F)(F)C1(OC)CCOCC1 1358976374 BLAIFKIYSQELJM-UHFFFAOYSA-N 482.491 2.498 30 10 JEEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC1(N2CCOCC2)CC1 1358978776 UHFIWURDDYSVHK-UHFFFAOYSA-N 482.629 2.330 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@](C)(O)C2CC2)CC1 1359041853 KPTQFRCYLNWOBX-SANMLTNESA-N 497.596 2.098 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2Cc2ccc(NC(C)=O)nc2)CC1 1359047180 VGYBADXGPUVYLC-UHFFFAOYSA-N 463.586 2.378 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccn(C)n1 1359071324 MMESXMNRGVUNGA-FDDCHVKYSA-N 455.563 2.360 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N1CCC(C(=O)NCCCOC)CC1 1359083648 OGWHVRLEBHFGQZ-MRXNPFEDSA-N 456.385 2.060 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1359305162 UZLNJJIFZRGHCR-QGZVFWFLSA-N 486.573 2.271 30 10 JEEE C=CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@](C)(C(=O)NC)C1 1359340946 GIZKGXPYXDFLFX-QFIPXVFZSA-N 453.572 2.476 30 10 JEEE CC(C)[C@@](C)(O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1360670241 GLSJLIUVPSDSLI-SBUREZEXSA-N 472.615 2.461 30 10 JEEE CCN(CC)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCOC[C@H]2C)CC1 1501780197 GJTLYMMCPRFSGK-OFNKIYASSA-N 479.629 2.480 30 10 JEEE CCOC(=O)N[C@H](CC(C)C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC#N)CC1 1502516540 DCVKAUYYPUNZKI-RBUKOAKNSA-N 480.635 2.471 30 10 JEEE CN(c1nnc(-c2cccc(C#N)c2)n1CC[S@@](=O)C(C)(C)C)C1CCN(S(C)(=O)=O)CC1 1503414045 CYKBMJODGWYEJH-JGCGQSQUSA-N 492.671 2.224 30 10 JEEE COCCN(CCC#N)c1nnc(-c2cccc(Cl)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1504883168 FRPRKLZOCOFIDC-INIZCTEOSA-N 466.995 2.246 30 10 JEEE COCCN(CCC#N)c1nnc(-c2ccc(F)cc2Br)n1Cc1nncn1C 1504885002 HQLLHSIDEKWHQC-UHFFFAOYSA-N 463.315 2.390 30 10 JEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCCN(CCC)C(=O)C1 1507577054 PFFFWRQUSWRMLI-UHFFFAOYSA-N 472.615 2.058 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](COCc2ccccc2)C1 1507588062 FGRODHWKIQFEDA-YADHBBJMSA-N 487.626 2.068 30 10 JEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1CC1(O)CC(OCC)C1)[C@H]1CCS(=O)(=O)C1 1507632906 BLUKZWWCWASDME-UDTLNKQYSA-N 493.029 2.079 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4ccccc4n3)n2CCOCCOC)CC1 1507735429 WDSAYSRAMMXOEL-UHFFFAOYSA-N 462.554 2.122 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(CSC)cc2)CC1 1507738072 JEHLIXKTIKAUAJ-HXUWFJFHSA-N 466.611 2.106 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2C[C@H]2CCOC[C@H]2OC)CC1 1507739205 AYSOWAYUOHWEIZ-DHIUTWEWSA-N 465.598 2.081 30 10 JEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2cc(OC)c(C)cc2C1 1507746482 RGHAAJLDGQCLGM-INIZCTEOSA-N 463.629 2.134 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(c2ncc(C)s2)CC1 1507832254 WAUOLVNJMGBUQH-KRWDZBQOSA-N 466.633 2.336 30 10 JEEE C=CCn1c(COc2ccccc2F)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1508071326 YLUKILNRGHRIJR-UHFFFAOYSA-N 470.549 2.123 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1508087944 UYGLRYWTFSVZMK-UHFFFAOYSA-N 471.993 2.162 30 10 JEEE C=CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)CC(=O)N1CCOCC1 1508147073 GWRGHXXWSUJZML-UHFFFAOYSA-N 472.615 2.361 30 10 JEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2cccc(F)c2)CC1 1539071580 BZZFRTBNKJOXPK-FQEVSTJZSA-N 459.591 2.445 30 10 JEEE C#CCCCn1c(COc2ccccc2OCC)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1539140209 ROVMPOGQXGRZMN-VWLOTQADSA-N 480.569 2.484 30 10 JEEE C#CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1cccc(N2CCOCC2)n1 1539155781 XYLBUTWDDNOOHE-UHFFFAOYSA-N 456.348 2.385 30 10 JEEE C#CCN(c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@H]1CCC(=O)N1)[C@H]1CCS(=O)(=O)C1 1539229865 IXCIHLODVPJXTO-UXHICEINSA-N 499.637 2.194 30 10 JEEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@]1(O)CCCC1(C)C 1539409233 SWIZGUPANDZUIF-QHCPKHFHSA-N 474.631 2.265 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2CC2([S@](C)=O)CC2)CC1 1539488071 GFNJYCPNCRIMBF-XIFFEERXSA-N 469.611 2.042 30 10 JEEE C#CCSCCn1c(-c2ccccc2F)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1539505010 DVRXFJBEPPEHHD-FQEVSTJZSA-N 456.591 2.193 30 10 JEEE C=C(Br)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1539587546 GSTAMORXNPAASX-UHFFFAOYSA-N 486.374 2.300 30 10 JEEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(O)cc2)CC1 1539599219 ASSNUGTYURDIPF-HNNXBMFYSA-N 482.404 2.121 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C1CCC(NC(C)=O)CC1 1539633634 ZYOSQZSVGKHKTI-UHEOPNNBSA-N 479.647 2.045 30 10 JEEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2cscn2)CC1 1539966061 DUSRTHPOUJIEMX-KRWDZBQOSA-N 450.634 2.315 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)NCc1ccco1 1540125821 AECVZUCZJSVBPB-LJQANCHMSA-N 469.567 2.282 30 10 JEEE C=CCNC(=O)Cn1c(N2CC=C(c3ccc(C#N)cc3)CC2)nnc1[C@@]1(OCC)CCOC1 1540876424 QUEMSZMVSNULPU-RUZDIDTESA-N 462.554 2.398 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1C[C@H]2CCCN2C[C@H]1C 1540909173 ZZOXUSKTZLUATE-IEBWSBKVSA-N 463.579 2.270 30 10 JEEE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)CN2CCOCC2)C1 1540937891 HAYUMICJUHWKQM-KNQAVFIVSA-N 465.602 2.090 30 10 JEEE CCOc1ccc(S(=O)(=O)N2CCN(c3ccc(C#N)c(C(F)(F)F)c3)[C@@H](C(N)=O)C2)cc1 1548367650 CCAMRODTHKAWDI-LJQANCHMSA-N 482.484 2.341 30 10 JEEE CO[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1)C(C)(C)C 1554666261 BHICIWOKFPOFML-HXUWFJFHSA-N 490.630 2.262 30 10 JEEE COC[C@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(c2ccccc2C#N)CC1 1555236557 CUNFXGZDZVHJHX-QUCCMNQESA-N 472.615 2.051 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(NC(=O)NC(C)C)cc1 1587639741 MSUTXGRHBBLFHW-WMZOPIPTSA-N 458.588 2.216 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(OC)c(OCC)c(OC)c1 1587639799 NFWWXOMJBWAETP-WBVHZDCISA-N 462.572 2.102 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1CCN(C)CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1588045449 KXTPEAYVAQPPQW-QGZVFWFLSA-N 469.533 2.374 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H](C)Oc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1588065474 ZBUTYQRBGHDBBR-WIYYLYMNSA-N 483.569 2.497 30 10 JEEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2Cc2csc(COC)n2)CC1 1588857060 IPOFVLMXZRGXRC-UHFFFAOYSA-N 466.611 2.478 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H]2CCCCO2)CC1 1588884704 KVIZVKIRJCKYLZ-NRFANRHFSA-N 499.015 2.396 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCN(c2nccc(OCC)n2)CC1 1589570760 WEOYJQWAHNADNA-RXVVDRJESA-N 457.579 2.311 30 10 JEEE C=C(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN(C(=O)COC)CC1 1593631610 WSTDKEUSPVLQMG-UHFFFAOYSA-N 462.595 2.264 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cc(OC)c(OC)c(OC)c2)C1 1595714379 NOFQMXYPMOPFOL-SJORKVTESA-N 457.531 2.085 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1595773256 VVIJZRDAXIIGHM-OAQYLSRUSA-N 470.599 2.420 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC[C@@H](Oc2ncccc2F)C1 1595784075 BLGZUGCPMWQYHT-QGZVFWFLSA-N 474.562 2.466 30 10 JEEE C=CCSCCn1c(COc2cc(C)ccc2C)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1595901109 PSKTUMJZORQCKO-UHFFFAOYSA-N 498.653 2.320 30 10 JEEE CN(C[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccoc2)C1)S(C)(=O)=O 1618110260 HGKLUZPWJGJRGC-IBGZPJMESA-N 484.582 2.478 30 10 JEEE N#Cc1cc(Cl)ccc1S(=O)(=O)N1CCN(CC(=O)N2CCCc3ccccc32)CC1 1621785693 HRGHZBJXCRSMBH-UHFFFAOYSA-N 458.971 2.497 30 10 JEEE CN(C)C(=O)C[C@H](NCC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)c1ccccc1 1643120235 GMRCULDYLICVSV-XZOQPEGZSA-N 451.546 2.344 30 10 JEEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NC1CC2(CC(NC(=O)OC(C)(C)C)C2)C1 1685795986 IDYVOBKYMPDIPH-VLSXZWHQSA-N 455.563 2.404 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OCC)CCOC3)n2Cc2c(C)nn(C)c2C)c1 1689868764 QEOMDGXCTZAIDU-AREMUKBSSA-N 491.596 2.385 30 10 JEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCOC[C@H]1CCCO1 1689966134 LHTJLRIINDBOEY-RTBURBONSA-N 463.579 2.242 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)c1cccc(OC)c1 1690047491 RYUWZACLBLMNFX-QFIPXVFZSA-N 499.637 2.060 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(Cl)cc2OC)CC1 1690110734 XTLQECGOWLJTLF-UHFFFAOYSA-N 465.945 2.391 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCCc2nnc(C)s2)CC1 1690146738 VGIBGUPUCCEWBN-GOSISDBHSA-N 457.604 2.278 30 10 JEEE C=CCCOCCn1c(-c2ccccn2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1690503912 RSYMWTOXQGQWAO-NFBKMPQASA-N 467.618 2.312 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC2(CC1)CNC(=O)C2 1690719708 QYMXKMAEOKUVJD-UHFFFAOYSA-N 494.017 2.314 30 10 JEEE COc1ccc(Cn2c(CNC(=O)c3cccs3)nnc2N(C)[C@@H](C)CC#N)c(OC)n1 1697458500 BZOASQQAYIVYOV-AWEZNQCLSA-N 455.544 2.468 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CCC(=O)N1CCOCC1 1705485159 FFCBLBIOVRCBRW-GOSISDBHSA-N 455.559 2.448 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1705485435 JGVOIOZAMNBTIG-SJORKVTESA-N 461.588 2.092 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1CCCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1705563171 RWNQLCFMLVCZOJ-FQEVSTJZSA-N 498.609 2.184 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@H](C)Oc1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 1705569451 HHIDKGIYOHKUDU-FPOVZHCZSA-N 495.605 2.367 30 10 JEEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1CCN1CCN(Cc2ccccc2)CC1 1705601412 IKXBHNDGWHAWLT-UHFFFAOYSA-N 484.652 2.420 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCN1CCN(C(C)=O)CC1 1705623223 KGLBWKYVHVGLMO-LJQANCHMSA-N 484.670 2.382 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H](C)N1CCOCC1 1705712988 OIQXMZDMGTUWRI-LJQANCHMSA-N 476.647 2.319 30 10 JEEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)c2ccccc2C)CC1 1705725526 GBUJEVYEZNVKMF-SFHVURJKSA-N 457.600 2.464 30 10 JEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1705805295 DKKAOCNRZSAVQM-MOPGFXCFSA-N 493.634 2.118 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(F)cc2Br)nnc1N(C)CC(=O)NC(C)(C)C 1705898784 XOMCGQDKWJVAES-UHFFFAOYSA-N 481.370 2.500 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCC(CC(=O)NC)CC2)cc1 1705910268 XJBWRMAMTNIJSI-UHFFFAOYSA-N 454.575 2.382 30 10 JEEE C=CCS(=O)(=O)CCn1c(Nc2cnn(C)c2)nnc1[C@@H]1CCCN1C(=O)OC(C)(C)C 1705938530 BCYAKEPFPROHLE-INIZCTEOSA-N 465.580 2.428 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H](C)N1CCOCC1 1706069392 BSBQRRNGEWQSLD-DLBZAZTESA-N 459.982 2.178 30 10 JEEE C#CCCCCn1c(N2CCN([C@H](C)c3nc(C)no3)CC2)nnc1[C@]1(OCC)CCOC1 1722321770 BMLNASHNDBIZPM-JPYJTQIMSA-N 457.579 2.308 30 10 JEEE C#CCCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)CCc2ccc(OC)cc2)CC1 1722332112 CZBLTVPPZNJDIH-OAQYLSRUSA-N 451.571 2.485 30 10 JEEE C#CCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC(S(=O)(=O)CC)CC1 1722339222 RGKAWTXISPVEPH-UHFFFAOYSA-N 498.697 2.460 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1C[C@H]1CC=CCO1)[C@@H]1CCS(=O)(=O)C1 1722365868 PUCAXRWQQGHTSO-IAGOWNOFSA-N 494.415 2.018 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1CCN(CC)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1722370845 FHKJSOTYYWFXBX-GOSISDBHSA-N 465.620 2.114 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1CCCN1CC 1722395291 XSNUMSXEVUZGLR-HXUWFJFHSA-N 467.643 2.494 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCCc2ccc(OC)cc2)CC1 1722447576 MNTYUUYRAQVKPB-NRFANRHFSA-N 451.571 2.389 30 10 JEEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1722453738 AUJIIRUUCOXFMW-FQEVSTJZSA-N 498.653 2.072 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H](CNC(C)=O)C1 1722494166 LSSFDAHDGRQJMB-TYPHKJRUSA-N 470.530 2.176 30 10 JEEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1722599023 FNFWVNGPCPWIKO-QGZVFWFLSA-N 478.619 2.417 30 10 JEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1722618657 UJJGNKJFVFFOEV-UTKZUKDTSA-N 455.625 2.219 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@](C)(OC)C1 1722688583 GLLVNZXOPSGSHR-IBGZPJMESA-N 451.369 2.354 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1722699087 BKUCNDWYBXFFSK-UHFFFAOYSA-N 497.047 2.497 30 10 JEEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCS(C)(=O)=O 1723778319 GACBVUNAXKCFMO-HZPDHXFCSA-N 454.597 2.176 30 10 JEEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccs1 1729409275 CKYWHVPDJIHHHQ-LJQANCHMSA-N 472.596 2.229 30 10 JEEE N#C[C@H]1CN(c2nnc(CN3CCCC3=O)n2Cc2sccc2Br)CCO1 1731186913 HSFZQLPYHWCIQT-LBPRGKRZSA-N 451.350 2.002 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@@H]1CSCCS1)[C@H]1CCS(=O)(=O)C1 1740618958 DTCREEJBTROJJX-PKOBYXMFSA-N 478.665 2.429 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCCOC)[C@H]1CCS(=O)(=O)C1 1740627726 JYGGSFVKVZRVLD-IPMKNSEASA-N 452.621 2.250 30 10 JEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H](C)CN1CCCC1 1740633081 USRGGRTWLIDQQL-IBGZPJMESA-N 467.643 2.351 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCO[C@H]1C(C)C 1740683658 CBJVCHLQRSWLJE-GCJKJVERSA-N 464.570 2.339 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CC)Cc1nc(O)c2ccccc2n1 1740717479 TTXMLXFDNFZDIK-INIZCTEOSA-N 486.623 2.222 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1CCNc1nccc(C(F)(F)F)n1 1740723916 WAVJDFKGSGFYKJ-HXUWFJFHSA-N 462.480 2.427 30 10 JEEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC=C(c2ccccc2)C1 1740793302 QUZXQWSTLDUWDP-QFIPXVFZSA-N 487.626 2.497 30 10 JEEE C=C1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CCCN(C)S(=O)(=O)CC)CC1 1740822540 TXNIMTKSQNBZQC-UHFFFAOYSA-N 495.675 2.066 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCSC2(CCOCC2)C1 1740964334 NQALGYFODCSVJV-UHFFFAOYSA-N 473.599 2.270 30 10 JEEE C=CCOc1ccc(Cn2c(Cc3ccsc3)nnc2N2CCO[C@@H](C(=O)NC)C2)cc1 1740967637 MJYKERTYXDNAIR-HXUWFJFHSA-N 453.568 2.495 30 10 JEEE CC(C)[C@](C)(O)Cn1c(CN2CCCC2=O)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1741307231 GWLTUZLMXHTLLO-AREMUKBSSA-N 479.629 2.391 30 10 JEEE CC(C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@H](C(C)C)N1CCOCC1 1741369532 AKZBXDGLSFLIDY-OAQYLSRUSA-N 452.607 2.352 30 10 JEEE CC(C)OCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC2(O)CCOCC2)CC1 1741763617 BFLCIXCWMGRJKI-UHFFFAOYSA-N 468.602 2.295 30 10 JEEE CN(C)CC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1747582605 AHJDTKHHYWHUAS-LJQANCHMSA-N 468.581 2.154 30 10 JEEE CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)c2nc(C)cs2)CCO1 1748209195 DSBCULBSNGTXQI-KBXCAEBGSA-N 451.556 2.337 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CCOc2ccc(Cl)cn2)c1 1748693171 ZSZFXJSNQPTHFA-LJQANCHMSA-N 493.955 2.413 30 10 JEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)Nc2ccccc2)CC1 1748752323 VFGDLYGLFVMBRA-LJQANCHMSA-N 455.584 2.449 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1ccc(C[S@](C)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1748818165 WSWLPZPOWJWVKC-QJWGWKRISA-N 476.668 2.420 30 10 JEEE C#CCN(c1nnc(COCC)n1Cc1c(F)cc(F)c(F)c1F)[C@@H]1CCS(=O)(=O)C1 1748825332 XSLKOIKVBDTAIV-GFCCVEGCSA-N 460.453 2.046 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2c(F)cccc2F)n1C[C@@H](N1CCOCC1)C(F)(F)F 1748848476 GBTOSEYHVLWLJE-LJQANCHMSA-N 467.442 2.483 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1Cc1ccc(N2CCSCC2)cc1 1748948432 MREQIALCRYYCOT-UHFFFAOYSA-N 456.616 2.104 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cscc2C(F)(F)F)CC1 1748989949 RXJGVKNBXUXRFH-CQSZACIVSA-N 473.546 2.064 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CC2(c3cccc(OC)c3)CC2)CC1 1749001218 MKJVETMUBXIUQA-UHFFFAOYSA-N 478.597 2.123 30 10 JEEE COC[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)C(C)(C)C)C1 1749532904 DVKQQHJMUNBUNJ-GOSISDBHSA-N 461.588 2.415 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1)C(C)C 1749557430 ISIVTZMJZLURGL-MANSERQUSA-N 458.563 2.042 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@@H](N2CCCC2=O)C1 1749651920 BWAFDBIXTLXFFZ-DLBZAZTESA-N 456.522 2.061 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1C[C@H](OC)C(C)(C)C1 1749667305 XUSBAWVCEXZVKX-IBGZPJMESA-N 479.585 2.228 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCC[C@H](Oc2ncccc2F)C1 1749736623 MNPVBIXBTZTRAW-IBGZPJMESA-N 486.573 2.447 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccnc(OC2CCCC2)c1 1750059633 AYSGFWHQSGDYJE-JKSUJKDBSA-N 461.592 2.249 30 10 JEEE CC(C)Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC(C)(C)N1CCOCC1 1750749930 DLZLOPZUXFJCTJ-UHFFFAOYSA-N 452.607 2.181 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 1760116680 IYSFTCAUMLCLPL-RCCFBDPRSA-N 477.631 2.428 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CCOc1ccc(S(C)(=O)=O)cc1 1760118299 BLUJOXPGBFZIJU-GOSISDBHSA-N 478.578 2.457 30 10 JEEE C#CCCCn1c(N2CCN(S(=O)(=O)c3ccccc3C)CC2)nnc1[C@@]1(OCC)CCOC1 1760161130 ARMUNMSWNIPJKX-XMMPIXPASA-N 487.626 2.163 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1ccnc(SCC)c1)[C@@H]1CCS(=O)(=O)C1 1760190161 OMMQHPRFYRPSFW-HXUWFJFHSA-N 482.635 2.446 30 10 JEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1CC[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1760191256 DLLKHXVYPUVBLX-RTWAWAEBSA-N 472.611 2.125 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@]1(N2CCOCC2)CCSC1 1760193617 KCOSVAJRGMQSMH-AREMUKBSSA-N 492.649 2.428 30 10 JEEE C#CCN1CCN(c2nnc(-c3nn(CCC)c(=O)c4ccccc34)n2C[C@@](C)(O)C(C)C)CC1 1760260614 ZJLAHEJWSZREFU-AREMUKBSSA-N 477.613 2.227 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1760272128 ZPMSOVJQXQKEME-OAQYLSRUSA-N 492.624 2.102 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(=O)c2ccccc2)CC1 1760346027 DVHXMVBLNWUYKC-HXUWFJFHSA-N 473.599 2.286 30 10 JEEE C=CCCOCCn1c(-c2nnc(O)c3ccccc23)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1760449477 KYGKINXSMNNGBS-IAGOWNOFSA-N 454.531 2.427 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccccc2-c2cnn(C)c2)C1 1760535407 QFEXKVJGOZFBOR-XLIONFOSSA-N 485.614 2.118 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1760549168 XRCINJSYKLOLDJ-OPAMFIHVSA-N 477.562 2.017 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc3ccccc3o2)nnc1N1CCN(C(C)=O)C[C@H]1C 1760551404 DNKAKLOOONAUTC-MRXNPFEDSA-N 457.556 2.349 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1760551493 HESXSXSOVDSCLJ-QAPCUYQASA-N 463.991 2.162 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@H](C)[C@H]1CC 1760553917 LVSRKDDQNLLOJR-FUHWJXTLSA-N 480.660 2.464 30 10 JEEE COc1cc([C@@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2CCNC(C)=O)ccc1O 1862641971 FKSHCUMYLCAIKH-HXUWFJFHSA-N 458.442 2.263 30 10 JEEE C=CCn1cc(OCCCO)c(=O)cc1CNc1ccc(C(=O)NCCN(CC)CC)cc1 1871263913 PQPFHHMXJSEXOA-UHFFFAOYSA-N 456.587 2.479 30 10 JEEE Cc1ccnc(N2CCN(C(=O)[C@@H]3SCC(=O)N(C(C)C)[C@@H]3c3ccc(C#N)cc3)CC2)n1 1889546888 AFXMDESWHSTXGM-FGZHOGPDSA-N 464.595 2.399 30 10 JEEE CCN1CCN(CC#CCOC2CCN(S(=O)(=O)c3cccc(Cl)c3C)CC2)CC1 1889672082 XAYFALMTCDRGDO-UHFFFAOYSA-N 454.036 2.459 30 10 JEEE COCCn1c(C(=O)N2CC=C(c3cncc(C#N)c3)CC2)cc2c(=O)n3ccccc3nc21 1891553472 NZMOZLPVOMUIKA-UHFFFAOYSA-N 454.490 2.492 30 10 JEEE CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2180991607 OZOGJUNZLRXMIJ-IBGZPJMESA-N 459.396 2.500 30 10 JEEE CN[C@H](C#Cc1ccccc1Br)[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 2235730820 PDEXZMWMZLTZER-IAGOWNOFSA-N 457.390 2.423 30 10 JEEE CO[C@H]1[C@H](COc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)N(C(=O)OC(C)(C)C)C[C@H]1OC 2241099774 LUVSLPAROKOEQA-SCTDSRPQSA-N 464.368 2.409 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](C(=O)N1CC(CB2OC(C)(C)C(C)(C)O2)C1)[C@H](O)C(F)(F)F 2254157314 FAZGZPHGRYCHRR-OLZOCXBDSA-N 452.279 2.354 30 10 JEEE CC(C)(C)OC(=O)N1CC([S@@](C)(=O)=NC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)C1 2255639760 GZILSTAXNDWMHH-WJOKGBTCSA-N 471.410 2.300 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1COCCN(C(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2255811699 KIZXMFKIVXSZAL-AWEZNQCLSA-N 452.382 2.413 30 10 JEEE CCN(CCN(C)C(=O)c1c(C)nn(C)c1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2267150679 FVCDDTQXQUYMKL-UHFFFAOYSA-N 450.389 2.357 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](CNC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)CO1 2267159812 LVSUOFYNWWMVMX-KGLIPLIRSA-N 467.397 2.102 30 10 JEEE CN(C[C@@H](O)CNC(=O)OC(C)(C)C)C(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1F 2267403692 QOIQCGVMAANQNP-AWEZNQCLSA-N 452.332 2.083 30 10 JEEE CC(C)(C)OC(=O)N[C@](C)(CO)CNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2267451583 SWDGJNDUXGZWKZ-QFIPXVFZSA-N 452.332 2.130 30 10 JEEE C[C@H]1CN(S(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2267474340 SMMXAHGQBFFZAE-AWEZNQCLSA-N 487.453 2.213 30 10 JEEE CC(C)(C)OC(=O)NCCn1cc(NC(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)cn1 2267479242 JIZKMUSKOLXUKD-UHFFFAOYSA-N 463.369 2.416 30 10 JEEE CC(C)(C)OC(=O)NC1(C(=O)NCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2F)COC1 2269699881 OBVPBYOVDQBGOW-UHFFFAOYSA-N 450.316 2.035 30 10 JEEE COc1ccc(CNC(=O)[C@H](C)ONC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2278702127 ZWUBCEQLMMMDOJ-AWEZNQCLSA-N 450.341 2.455 30 10 JEEE Cc1ccnc(C(=O)N2CCC[C@H](NC(=O)C(F)(F)F)[C@@H]2C)c1B1OC(C)(C)C(C)(C)O1 2281999673 GNHOWJQSQZGNRL-KBPBESRZSA-N 455.286 2.361 30 10 JEEE CC(C)(C)OC(=O)NC1(C(N)=O)CCN(C(=O)c2ccsc2B2OC(C)(C)C(C)(C)O2)CC1 2282023965 UVRSYMSMPKTGFG-UHFFFAOYSA-N 479.408 2.032 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCN(C(=O)OC(C)(C)C)CC23CCC3)n1 2282043501 JSUXWXNMMRSFBX-UHFFFAOYSA-N 460.384 2.335 30 10 JEEE CC(C)(C)OC(=O)NC[C@]12CN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)sn3)C[C@H]1CCO2 2282062350 XGICLYYZGUHGIY-PEBXRYMYSA-N 479.408 2.198 30 10 JEEE CC1(C)OB(c2cncnc2C(=O)N[C@@H]2CN(Cc3ccccc3)CC(F)(F)C2)OC1(C)C 2282180338 RPDPDZQULFUZKJ-KRWDZBQOSA-N 458.318 2.415 30 10 JEEE Cc1c(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)C2CCC2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282542289 IBWOYGRCFYQMDL-MRXNPFEDSA-N 462.400 2.451 30 10 JEEE C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1N(C)C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2282544477 ODIHUOLFYGTUQW-RDJZCZTQSA-N 462.400 2.437 30 10 JEEE C[C@@H]1CN(S(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C[C@@H](C)N1C(=O)OC(C)(C)C 2282829269 CEIKPPQNRQYPDD-HZPDHXFCSA-N 481.424 2.399 30 10 JEEE CC(C)(C)OC(=O)N1CCC(CNS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CC1 2282864501 GXXMEFSJLNVKIT-UHFFFAOYSA-N 481.424 2.306 30 10 JEEE CC(C)(C)OC(=O)N1CC2(CC(CNC(=O)c3nccnc3B3OC(C)(C)C(C)(C)O3)C2)C1 2283068045 HTXSLLGRUNPLIQ-UHFFFAOYSA-N 458.368 2.153 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)N1Cc2cccc(B3OC(C)(C)C(C)(C)O3)c2C1 2283966691 YAAGEXZEHIZMNV-LPHOPBHVSA-N 458.364 2.198 30 10 JEEE COC(=O)CSc1nnc([C@H]2CC(=O)N(Cc3ccccc3)C2)n1N=Cc1ccccn1 2325921389 SRRWYSMISOXPST-KRWDZBQOSA-N 450.524 2.337 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H]3CC[C@H]2CN3C(=O)OC(C)(C)C)n1C 2362494763 RPWNPAIBDIASGR-JKSUJKDBSA-N 460.384 2.252 30 10 JEEE CC(C)(C)OC(=O)N1Cc2nncn2C[C@H]1C(=O)N1CC[C@@](C)(B2OC(C)(C)C(C)(C)O2)C1 2368335625 JKJONMKPRNWTRL-OYHNWAKOSA-N 461.372 2.482 30 10 JEEE C=CCn1c(=O)c(=O)n(Cc2ccc(C(=O)NCCCN3CCCC3=O)cc2)c2ccccc21 33272741 OQNDKKJLCLMRMC-UHFFFAOYSA-N 460.534 2.140 30 10 JEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(OC)c(OC)c(OC)c2)c(=O)n1-c1ccccc1C 603799360 MLBNDSHBKNUELA-UHFFFAOYSA-N 491.569 2.039 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCC1(O)CCOCC1 1286290021 OFFDAMBITVDUFV-SFHVURJKSA-N 464.570 2.455 30 10 JEEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1CCCS(=O)(=O)Cc1ccccc1 1286443495 INIZOTVBXMGSIL-UHFFFAOYSA-N 469.567 2.470 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2csc(COC)n2)CC1 1286473942 WOMUSMPSQIMBRZ-UHFFFAOYSA-N 453.528 2.260 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CC[C@@](C)(O)c2ccccc2)CC1 1286485148 WHAJWFPDFLMBGR-RUZDIDTESA-N 478.622 2.323 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2cc(F)cc(F)c2C1 1286592396 CFXPZJGIPWPEJI-SFHVURJKSA-N 453.515 2.028 30 10 JEEE C=CCCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C)=C(Br)C1 1286706139 KQIQBIUMQWJRFY-CQSZACIVSA-N 462.414 2.360 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCO2)n1CCN1CCN(C(C)=O)CC1 1286741317 JFNBTKJYRSFRAD-HSZRJFAPSA-N 463.586 2.358 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1286783287 JGAGIRSCVFZWIM-QGZVFWFLSA-N 455.954 2.346 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1286784160 XNSPSIGIGIHDPH-OSPHWJPCSA-N 471.558 2.039 30 10 JEEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)Cc1csc(CC)n1 1286788092 PRCVUKVAKYIIQD-UHFFFAOYSA-N 481.630 2.410 30 10 JEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N(C)CC(=O)Nc1c(C)cccc1C 1286791269 XGHSWCFLTXYFKR-UHFFFAOYSA-N 464.574 2.134 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC(C(=O)c3ccccc3)CC2)nnc1[C@@]1(OCC)CCOC1 1286792631 DLZYVCISCHNDBC-RUZDIDTESA-N 467.570 2.332 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)O[C@H](c2ccccc2)C1 1286814100 JXIXXOIUYYWNHC-ICSRJNTNSA-N 473.599 2.081 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1286816679 MMHUTICKAKYXIL-NRFANRHFSA-N 454.600 2.285 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1csc(C(C)(C)C)n1 1300311343 SHTUMWXMHPMPJR-NVXWUHKLSA-N 480.660 2.066 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2COc3ccccc3O2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1300578320 KUHIMOTXPUIJOQ-ZJSXRUAMSA-N 490.608 2.196 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CCC(=O)N2CCCCCC2)CC1 1300728913 JXFCYKRMZSXQND-UHFFFAOYSA-N 497.669 2.392 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)CC(=O)NC(C)C 1300885357 PBDSJYASPRMJFN-UNMCSNQZSA-N 482.633 2.394 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC[C@H](NC(=O)CC)C1 1301483812 WWOYZVKWIYAWBL-SFHVURJKSA-N 462.558 2.132 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@H](C)C1 1301568260 QCDQVORWKKOAFJ-HNNXBMFYSA-N 451.980 2.309 30 10 JEEE Cc1cc(C)n(Cc2nnc(N(Cc3ccc(C#N)cc3)C3CC3)n2CCS(C)(=O)=O)n1 1304744846 BGGACSRDKKXVHY-UHFFFAOYSA-N 453.572 2.225 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCN(CCC)C1 1358877084 WXFXKLJXHKINLQ-RBUKOAKNSA-N 458.632 2.385 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@]1(O)CCO[C@H]1C 1358885100 CUUBMDWZOIAJPA-UAVUOLJFSA-N 450.543 2.063 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CCC3)n2CC2CCS(=O)(=O)CC2)c1 1358902044 CZEPSSBWFGKHFM-UHFFFAOYSA-N 455.584 2.427 30 10 JEEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC2(CC1)CNC(=O)C2 1358919348 ALKMEIPAVOXMIS-UHFFFAOYSA-N 454.962 2.381 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1cccc(C(=O)NCCC)c1)[C@@H]1CCS(=O)(=O)C1 1358960685 JMALRMHYSMBLHI-HXUWFJFHSA-N 480.594 2.088 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C 1358994180 HAHJUDSLRDTBDV-MOPGFXCFSA-N 475.615 2.043 30 10 JEEE C#CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCOC(C)(C)C 1359019504 WULUEEBNFGMPGD-UHFFFAOYSA-N 462.620 2.448 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 1359030505 XLMKGZIZCXAFLI-PMACEKPBSA-N 476.622 2.157 30 10 JEEE C=C(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1359117351 WBLILLSBZRAJAS-UHFFFAOYSA-N 487.992 2.012 30 10 JEEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1359202935 FLHJKFKFZYQDKU-OALUTQOASA-N 459.620 2.432 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N(C)Cc1ccccc1N1CCOCC1 1359299993 QXNLDBLMDREHBH-NRFANRHFSA-N 454.575 2.295 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1359334680 NTRSVXLMFYMLCD-UHFFFAOYSA-N 491.621 2.257 30 10 JEEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C(F)F)C1 1359343626 XIGPHFLWUCNTEN-LSDHHAIUSA-N 465.592 2.012 30 10 JEEE CC(C)[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1359647590 CXUZWGJMXPRMIU-RUZDIDTESA-N 474.569 2.044 30 10 JEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](CC)[C@@H](c2ccc(C)cc2)n2cncn2)cc1 1446277968 NAEFGIREBPNABK-FCHUYYIVSA-N 451.552 2.296 30 10 JEEE C#CCNC(=O)C1CCN(C(=O)c2sccc2S(=O)(=O)NC2CCCCCC2)CC1 1448354146 MBQIPPPVTGNNAE-UHFFFAOYSA-N 451.614 2.351 30 10 JEEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C)c2ccc(S(C)(=O)=O)c(OC)c2)c1 1457270351 GHIOTTWOJZFUCZ-CQSZACIVSA-N 452.554 2.054 30 10 JEEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2cc(F)cc(CNC(=O)C(F)(F)F)c2)c1 1470890385 YICGSHQTQSHPEW-UHFFFAOYSA-N 457.405 2.168 30 10 JEEE COc1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CC[C@](F)(C#N)C2)cc1OC 1504260161 BUTBDVYQRDTZSL-QFIPXVFZSA-N 451.462 2.433 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@H](C)N1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1507631789 GFIQMGSQNRFJSX-BURNTYAHSA-N 463.648 2.267 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@H]1CCCCS1(=O)=O 1507672001 SPQQWEILJJNILK-WIYYLYMNSA-N 454.552 2.221 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCCO[C@@H]2c2ccccc2)CC1 1507715893 JTLNXJJYIBLMGI-FGZHOGPDSA-N 450.587 2.339 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(OC)cc3)n2CCc2ccncc2)CC1 1507740816 PSIHSNFJGFYSNG-UHFFFAOYSA-N 474.565 2.469 30 10 JEEE C=C(C)COCCn1c(-c2ccccc2Br)nnc1N1CCN(S(C)(=O)=O)CC1 1507839205 ATPKFPPDWSRMOK-UHFFFAOYSA-N 484.420 2.382 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCS(=O)(=O)CC)C1 1508126309 HIAPZNOKZVFHSR-FGTMMUONSA-N 483.635 2.265 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1508133948 QBIIZKUJVXPVHA-UHFFFAOYSA-N 496.637 2.500 30 10 JEEE COC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1)OC 1518719492 CSAYNYDCCKONKP-TZIWHRDSSA-N 454.575 2.467 30 10 JEEE CSC1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCCN(S(C)(=O)=O)CC2)CCOCC1 1519914774 GDRXNCNPOUTLKZ-UHFFFAOYSA-N 490.655 2.201 30 10 JEEE C#CCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1539194900 IFDBPZPESZBZGJ-PMACEKPBSA-N 462.533 2.144 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(Br)c2)n1CC1(S(C)(=O)=O)CC1 1539251783 PRQSAWVTPCRAQW-UHFFFAOYSA-N 477.384 2.366 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2Cc2ccc(N(C)C)nc2)CC1 1539436678 YTEPKUOCHYGMRF-UHFFFAOYSA-N 461.570 2.227 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2CCCCN2CC)CC1 1539468244 CDGWVAAEPPBIRB-GJZUVCINSA-N 486.661 2.159 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CC[C@@](C)(CC)O2)CC1 1539489059 QAKPJMSVKLMMQD-PXDATVDWSA-N 467.618 2.453 30 10 JEEE C#CCSCCn1c(N2CCN(C(=O)N3CCCC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1539531767 ZJFZMRKPDMZMQL-QHCPKHFHSA-N 476.647 2.023 30 10 JEEE C=CCC(C)(C)Cn1c(Cc2ccncc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1539923572 DMKCUBXBVSWWCP-UHFFFAOYSA-N 453.591 2.440 30 10 JEEE C=CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1539974725 FXWMZTQKSDKKIE-FHWLQOOXSA-N 460.579 2.125 30 10 JEEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCC(N2CCCC2=O)CC1 1540874380 DYUPEFUUKIXDEO-UHFFFAOYSA-N 452.559 2.059 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](CC)c3ccccc3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1540884018 IYFARNVXTQZLMH-QTEQDKRBSA-N 460.600 2.151 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2ccc3[nH]ccc3c2)C1 1540884863 WJSYWRUBMIPGFG-LPHOPBHVSA-N 458.588 2.394 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1540900598 AXELWRIGBUBOIY-INIZCTEOSA-N 464.592 2.320 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CCC[C@@H](CC(N)=O)C1 1540901134 UFZJTNUTJJZWGJ-HNNXBMFYSA-N 451.980 2.291 30 10 JEEE C=CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(CC(=O)NCC)CC1 1540910223 BENOTRQYLRCFFK-UHFFFAOYSA-N 482.452 2.213 30 10 JEEE Cc1nc(CCn2c(-c3cccc(C#N)c3)nnc2N2CCN(CC(=O)N(C)C)CC2)sc1C 1542047572 DHTNEXBPQNSTGQ-UHFFFAOYSA-N 478.626 2.343 30 10 JEEE CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CC[C@@](C)(O)c1ccccc1 1548169266 DWBYIGVWKUGCNP-RUZDIDTESA-N 478.601 2.353 30 10 JEEE C#CCN(c1nnc(-c2ccccc2)n1CC1CCN(C(=O)OC)CC1)[C@H]1CCS(=O)(=O)C1 1588046170 YUZRIOITEZUOPG-FQEVSTJZSA-N 471.583 2.050 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1ccccc1CN1CC[C@H](O)C1)[C@@H]1CCS(=O)(=O)C1 1588059042 IAEHGBYOGDJFBQ-PKTZIBPZSA-N 499.681 2.108 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCN(C(=O)OC(C)(C)C)C2CC2)CC1 1588968974 SYQFEWZRERIDHR-HXUWFJFHSA-N 486.617 2.495 30 10 JEEE C=CCCCn1c(CSc2ccc(C)cc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1594767315 SBJRRCLMRWUVNG-UHFFFAOYSA-N 467.603 2.180 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(F)ccc1F 1595218148 HMOPZFVHBDBWAD-GOSISDBHSA-N 453.515 2.116 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2c(F)cc(F)c(F)c2F)C1 1595673818 JXXYZKVEHMEIMP-RYUDHWBXSA-N 477.484 2.274 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N(C)Cc1cn(C)nc1C(F)(F)F 1595785345 XJSCAVQDBQIHTK-UHFFFAOYSA-N 471.509 2.273 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2CC)nnc1N1CCCN(C(C)=O)CC1 1595824215 YSZMPEQTJMRBFJ-UHFFFAOYSA-N 475.615 2.079 30 10 JEEE C=CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(C(=O)NCC)CC1 1595871104 GDCCOXJXNPWYBM-UHFFFAOYSA-N 468.587 2.365 30 10 JEEE CC(=O)NC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)CCO1 1596640664 AYBJAHJZEHLZBI-UTKZUKDTSA-N 497.600 2.413 30 10 JEEE CC(C)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2([S@@](C)=O)CC2)[C@H](C)C1=O 1607485020 DXQHTJHMHMNISM-HYJWCJBQSA-N 454.600 2.421 30 10 JEEE CCCO[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1615028496 DSUUVOORTZOPJW-OFNKIYASSA-N 473.599 2.152 30 10 JEEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCC[C@@H](C)C2)C1 1615972419 CQWDCWQDTQSDDW-NQIIRXRSSA-N 471.631 2.067 30 10 JEEE CCO[C@@]1(c2nnc(N(C)Cc3cccc(C#N)c3)n2CC2(CS(C)(=O)=O)CC2)CCOC1 1616149161 DMPRHUYEZNJGGO-QHCPKHFHSA-N 473.599 2.263 30 10 JEEE COC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCCN1S(=O)(=O)c1c(C)cc(F)cc1C#N 1622112046 CUZFVYPYMKOXGG-MRXNPFEDSA-N 455.508 2.179 30 10 JEEE CCN(C)C(=O)OC[C@H]1CCCCN1CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 1658552574 DFODDCYJGYZPLW-FGZHOGPDSA-N 459.566 2.477 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C)ccc1OC(F)F 1689853811 YTPFLJRDUOXDAO-QAPCUYQASA-N 483.541 2.027 30 10 JEEE C#CCN(c1nnc(C2CCC2)n1CC(C)(C)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1689988503 QIVUGHQWYDVJTQ-KRWDZBQOSA-N 465.620 2.476 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H](C(C)C)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1689991678 BBGDQPLQSSELLE-VXKWHMMOSA-N 470.643 2.011 30 10 JEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccnc(OC(F)F)c1 1690025139 GHPLERPTIHILOI-UHFFFAOYSA-N 456.478 2.387 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 1690092589 NLVTWTUJLLMLBQ-IBGZPJMESA-N 486.617 2.390 30 10 JEEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2CCOc2ncccc2F)CC1 1690130606 JHDLSAUGPPJXKQ-UHFFFAOYSA-N 450.518 2.268 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCOc2ccc(Cl)cn2)CC1 1690142602 RCNLLOAMUYIUBS-UHFFFAOYSA-N 453.934 2.366 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2OC)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1690242830 DBIGYTVOGZIOLV-UEXGIBASSA-N 475.615 2.453 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc(Cc2ccncc2)n1CC1(O)CCS(=O)(=O)CC1 1690565583 NBAXKWQLQMWMAP-UHFFFAOYSA-N 467.595 2.396 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1)C(C)C 1690581782 YOBFYAJBIISNSM-UFYCRDLUSA-N 473.622 2.205 30 10 JEEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1690655512 YNYOWPHTYKJXCS-HKUYNNGSSA-N 473.622 2.325 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC(N(C)C(C)=O)CC1 1690660608 LDGZTJCUKVZPML-INIZCTEOSA-N 458.538 2.307 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@@H](c3noc(C)n3)C2)cc1 1690678481 XWNHTPGKBDLBKZ-LJQANCHMSA-N 467.530 2.299 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1 1690723336 OJIWKVQSFKRMJU-UHFFFAOYSA-N 463.991 2.372 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@H](CCC)C1 1690724740 VRNCBEUISPIMAC-HXUWFJFHSA-N 489.646 2.058 30 10 JEEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCOC(F)(F)F)CC1 1690860186 YPSYNKUQGPEVJI-UHFFFAOYSA-N 452.437 2.324 30 10 JEEE CC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2C[C@@H](C)O[C@H](C)C2)CC1 1690922957 DGASEDWHZBCNRU-RTBURBONSA-N 465.602 2.421 30 10 JEEE CC(C)(C)NC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCCS2(=O)=O)CC1 1691210843 BTTSFHNCIRBJPA-HXUWFJFHSA-N 499.641 2.414 30 10 JEEE CC(C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1693837898 DFGMYBDWLHBDBJ-WOJBJXKFSA-N 452.607 2.494 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1cccc(OCC)c1)[C@H]1CCS(=O)(=O)C1 1705567553 XKYVOJPPMWQBQH-UXHICEINSA-N 458.584 2.246 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCN2CCC[C@H]2C)CC1 1705645590 YEMMUAURHBQAIE-MRXNPFEDSA-N 488.434 2.486 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)C(C)C)CC1 1705707709 PULMZCCGWBFGCC-ANULTFPQSA-N 461.607 2.288 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(Cn2cccn2)cc1 1705716173 BLIMXZCMGJDXFM-JOCHJYFZSA-N 499.641 2.307 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)[C@H](C)CS(=O)(=O)CC 1705722494 OJEOAQKHNRXJLO-MRXNPFEDSA-N 469.633 2.031 30 10 JEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N(C)Cc1cn(C)nc1C(F)(F)F 1705737920 FRCHNSYZCUNABX-UHFFFAOYSA-N 455.485 2.382 30 10 JEEE C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1705886771 MYYOVSCESYRSFY-UHFFFAOYSA-N 457.336 2.042 30 10 JEEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 1705907202 DJWQFWRTUPPORH-UHFFFAOYSA-N 465.602 2.074 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCc2cc(OC)c(C)cc2C1 1705938928 NICWMTGDYKNCFI-UGKGYDQZSA-N 490.626 2.483 30 10 JEEE C=CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1705941781 VZQXQZQNHLTPON-INIZCTEOSA-N 458.588 2.438 30 10 JEEE CC(C)(C)c1nnc(N2CCN(c3c(C#N)cnc4ccccc34)CC2)n1CCS(C)(=O)=O 1706115244 DOUBWVBTYLHVAP-UHFFFAOYSA-N 467.599 2.367 30 10 JEEE Cc1nnsc1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1707018191 GEIGJOMBXMAOQN-UHFFFAOYSA-N 486.005 2.476 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cccc(NC(=O)OC)c1 1708756755 HEHIKYMMJDMZCJ-GOSISDBHSA-N 455.519 2.152 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1CCC[C@@H]1OC)[C@@H]1CCS(=O)(=O)C1 1722360623 VNWFCEQITYAPRZ-KPLVRAHFSA-N 488.610 2.404 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1C[C@@H](OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1722363416 FQWVTAINFOFUNE-SJLPKXTDSA-N 496.431 2.098 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(F)cn1)[C@H]1CCS(=O)(=O)C1 1722364122 XNIKMFLPKRQSND-KRWDZBQOSA-N 460.922 2.203 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCC1(OC)CCC1 1722374685 BBBBJPKKHBYPNA-UHFFFAOYSA-N 455.584 2.227 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ccc(OC(C)C)nc1 1722375104 JTZNTGQTPOZYTO-UHFFFAOYSA-N 492.605 2.499 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C 1722376977 KIXMOECIJYKFJS-NRFANRHFSA-N 487.568 2.393 30 10 JEEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1C[C@H](C)CN1CCN(CC)CC1 1722399640 QUMATQSKZNRJJZ-HSZRJFAPSA-N 472.641 2.253 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCCCO)CC1 1722443357 HRZBMMCNDXXKJQ-UHFFFAOYSA-N 463.380 2.164 30 10 JEEE C#CCSCCn1c(N2CC(C)(C)O[C@@]3(CCOC3)C2)nnc1[C@@]1(OCC)CCOC1 1722464038 SXCUQVHPGHWCNS-FCHUYYIVSA-N 450.605 2.071 30 10 JEEE C=C(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1722518547 URKKXMKVLGEHEQ-GOSISDBHSA-N 460.604 2.489 30 10 JEEE C=CCCOCCn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1722627119 RZJBPVHVULPALU-UHFFFAOYSA-N 472.977 2.118 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCc2ccccc2C1 1722698632 JAFOZQRRXQXARP-HXUWFJFHSA-N 482.585 2.451 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC2(S(C)(=O)=O)CCCC2)C1 1722710089 DCFSCVWDBVJVAK-AUSIDOKSSA-N 482.647 2.457 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CCC2(CCN(C)C2=O)CC1 1722730072 HRPIMIZWECQQRV-UHFFFAOYSA-N 471.627 2.113 30 10 JEEE CC(C)(C)Cc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CC1(C(N)=O)CCOCC1 1722950942 DMAQAXQUWNMWAT-UHFFFAOYSA-N 479.629 2.343 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCO[C@@H]1C(=C)C)[C@H]1CCS(=O)(=O)C1 1740617992 AIDCWDBDIPKSQA-FDFHNCONSA-N 465.579 2.425 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCOC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1740621823 ZLJBKUBPLRFVOB-DZFGPLHGSA-N 453.568 2.116 30 10 JEEE C#CCN(c1nnc(COCC)n1Cc1nc2c(s1)C[C@H](C)CC2)[C@@H]1CCS(=O)(=O)C1 1740629081 ZYSCOMPYUJXUIN-HZPDHXFCSA-N 463.629 2.071 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCCN1CCOCC1 1740639295 URROVESTNMCJCW-UHFFFAOYSA-N 473.581 2.031 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(SCC)c1 1740657149 QURQOTKMXSEECG-NRFANRHFSA-N 487.651 2.234 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCCOC3)n2C[C@@H]2OCCC2(C)C)n1 1740689595 YLEAMINFIITAKY-CTNGQTDRSA-N 456.591 2.470 30 10 JEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(C)[C@@H](C1)C2(Cl)Cl 1740709719 QKSKUPOFUXNRLL-WOSRLPQWSA-N 466.460 2.275 30 10 JEEE C#CCSCCn1c(-c2ccc(Br)s2)nnc1N1CCN(CC(=O)N(C)C)CC1 1740712235 AQDVSLCJAHAQRP-UHFFFAOYSA-N 497.488 2.346 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCN1CCOC1=O 1740731983 NQBLFQQTLUQGJC-HOYKHHGWSA-N 488.589 2.421 30 10 JEEE C=C(Br)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCS(=O)CC1 1740745162 NXFWENGAKGGPSJ-CQSZACIVSA-N 490.424 2.064 30 10 JEEE C=CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1(CS(C)(=O)=O)CC1 1740897604 NXNQMBGCWFMMPE-UHFFFAOYSA-N 456.572 2.122 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 1740957399 MLAXAGAWDHACAT-UHFFFAOYSA-N 471.924 2.330 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCN(c2cccc(F)c2F)CC1 1740992348 FUHUXZJVHALLIJ-UHFFFAOYSA-N 488.564 2.470 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2CCN(C)CC(F)(F)F)c1 1748692671 LADXNFHZNSZQFO-KRWDZBQOSA-N 464.492 2.332 30 10 JEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(O)CCc2ccccc21 1748790661 ZQAODIJMTMCFEH-CPJSRVTESA-N 467.570 2.490 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1Cc1ccc(C)nc1)[C@H]1CCS(=O)(=O)C1 1748808105 HXJDGPFKBOICIY-FQEVSTJZSA-N 481.578 2.341 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H]2CCCS2)CC1 1749003233 BZGFPFXXMPMFPI-WMZHIEFXSA-N 461.632 2.180 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2CCNC(=O)C(C)(C)C)CC1 1749015653 IHWYIEIQQNCMJJ-UHFFFAOYSA-N 480.613 2.294 30 10 JEEE C=C(C)Cn1c(-c2ccccc2OC)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1749186400 VBZZPPFIKRNGRB-GOSISDBHSA-N 461.588 2.161 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(COc2ccccc2)CC1 1749193412 HUJFRORHEAFYPP-OAQYLSRUSA-N 475.615 2.483 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(Cc2ccccc2C)CC1 1749733707 ACUHPLDBQOCNCQ-OAQYLSRUSA-N 459.616 2.013 30 10 JEEE Cc1cc(C)n(CCCn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)n1 1751859553 DNAHBDBATHVGFE-FQEVSTJZSA-N 483.598 2.256 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@H]1C[C@H]1C)[C@H]1CCS(=O)(=O)C1 1760181089 PIDQZQAEUVVQNP-NJAFHUGGSA-N 474.583 2.254 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@H]1CCCOC1)[C@H]1CCS(=O)(=O)C1 1760185919 HABFFGAYCCVJIA-SJORKVTESA-N 464.538 2.200 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCCOc1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1760186850 GRHMKEXUGZTHQH-VQTJNVASSA-N 488.610 2.277 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1CCc1nccnc1C)[C@@H]1CCS(=O)(=O)C1 1760191229 DARDUDOPCYROQM-HXUWFJFHSA-N 480.594 2.133 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccc(OC(C)C)nc2)CC1 1760273167 KFWNAARKFJXDOX-HXUWFJFHSA-N 452.559 2.326 30 10 JEEE C=C(Br)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(CC)[C@@H](C)C1 1760302407 CANCLTKBNZUHRF-HNNXBMFYSA-N 458.368 2.360 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1760342716 KPENKRLTNJGBAR-UHFFFAOYSA-N 486.642 2.059 30 10 JEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 1760360173 SYWXTCCSMSOWEQ-SFHVURJKSA-N 462.595 2.439 30 10 JEEE C=CC1CCN(c2nnc(CCN3CCN(c4ccccc4)CC3)n2CCS(=O)(=O)CC)CC1 1760405306 XMJHWJPARDJSCF-UHFFFAOYSA-N 486.686 2.480 30 10 JEEE C=CCCCCn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1760421463 PVNFZBKMQDIZQT-FPOVZHCZSA-N 459.639 2.152 30 10 JEEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1[C@H](C)CCN1C(=O)OC(C)(C)C 1760456390 OBCXKODMBZPNOI-PMPSAXMXSA-N 456.613 2.156 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1760516131 VONPBQXEJNEHRO-FQEVSTJZSA-N 482.610 2.278 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1760520148 ZLFRIVKOAZWZDU-SFHVURJKSA-N 480.573 2.314 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CC(=O)NCC(F)(F)F)C1 1760537710 RFIJCSWGAQUFTE-OAHLLOKOSA-N 467.448 2.176 30 10 JEEE Cc1nnc(CCn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CCO[C@@H](C#N)C2)s1 1762485961 GAJLGBQBWMBWQQ-KRWDZBQOSA-N 452.544 2.279 30 10 JEEE CS(=O)(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2CC(F)(F)C2)C1 1770325330 IAAPSGPEEGGRDV-KRWDZBQOSA-N 451.499 2.397 30 10 JEEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCO)[C@@H]2c2cc3c(cc2[N+](=O)[O-])OCCO3)ccc1F 1862512814 NYUGUTYBYXHTRR-LJQANCHMSA-N 458.398 2.384 30 10 JEEE CN(C)c1ccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCN2CCOCC2)cc1 1862596110 RZWFJPSMABXHED-JOCHJYFZSA-N 451.523 2.369 30 10 JEEE COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2C[C@@H](C)O)cc(OC)c1O 1862633887 HYJKKVZRUBMGMI-WYRIXSBYSA-N 457.435 2.097 30 10 JEEE C[C@@H](NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1)C(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O 1866871227 CNRGQQVVOLMUDP-KUHUBIRLSA-N 479.562 2.394 30 10 JEEE C=CCOc1ccccc1OCC(=O)Nc1nc(N(C)CCO)nn1-c1ccc(OC)cc1 1870025603 LNYRAHXKWZBNEZ-UHFFFAOYSA-N 453.499 2.287 30 10 JEEE COc1ccc(N2C[C@@H](C(=O)Nc3c(C#N)nnn3Cc3ccc([N+](=O)[O-])cc3)CC2=O)cc1 1870110661 CFVGPYMYWUYSOR-HNNXBMFYSA-N 461.438 2.106 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCCN(CC)CC)cn1CCCCCO 1870535700 HGVIDRIRWHUHLD-UHFFFAOYSA-N 462.635 2.022 30 10 JEEE C#CCOc1cn(CCc2ccc(S(N)(=O)=O)cc2)c(CNc2ccc3c[nH]nc3c2)cc1=O 1871008995 YGCQGBPONBKGLM-UHFFFAOYSA-N 477.546 2.239 30 10 JEEE CC(=O)NCc1nnc(SCc2nc(O)c3ccccc3n2)n1/N=C/c1ccccc1C(=O)O 1874434450 FYHUYGPZZWANFW-YSURURNPSA-N 477.506 2.436 30 10 JEEE CCCNC(=O)CSc1nnc([C@@H]2CCCO2)n1/N=C/c1cc2c(cc1[N+](=O)[O-])OCCO2 1874444797 KZDAECPWAOHANY-URMYYVDKSA-N 476.515 2.310 30 10 JEEE Cc1cc(CNC(=O)[C@@H]2SCC(=O)N(C(C)C)[C@H]2c2ccc(C#N)cc2)nc(N(C)C)n1 1889366231 SLOCYLQHXRSGEA-LEWJYISDSA-N 452.584 2.433 30 10 JEEE COc1cccc(N2C[C@H](C(=O)N3CCC(OCC#CCN4CCN(C(C)C)CC4)CC3)CC2=O)c1 1890399285 RCSNYMGVFHJUQR-HSZRJFAPSA-N 496.652 2.085 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](NC(=O)c2csc(B3OC(C)(C)C(C)(C)O3)c2)C1 2255845081 GPWNOBXYSHHICO-LSDHHAIUSA-N 452.382 2.147 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)[C@](C)(CO)C1 2266999176 WLAYNTIHWMWDHQ-QFIPXVFZSA-N 466.409 2.491 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC(CNC(=O)C(F)(F)F)CC1 2267527947 OPBWULZPZOOWJX-UHFFFAOYSA-N 461.315 2.281 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@@H](COc3cc(B4OC(C)(C)C(C)(C)O4)ccn3)O[C@@H]2C1 2280704811 ZUXMZELBOJPVIE-OKZBNKHCSA-N 462.352 2.163 30 10 JEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](CNc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)[C@H]1OC 2280770433 UKSQGIDAUPMQER-YQVWRLOYSA-N 463.384 2.442 30 10 JEEE CC(C)(C)OC(=O)N1CC[S@](=O)(=NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C(C)(C)C1 2281984321 BWKQOFBDESPRGA-MGBGTMOVSA-N 482.412 2.346 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]3C[C@H]2[C@@H]1[C@H]3NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2281990860 SJAKGJCRIDMKPA-LQZABQIISA-N 458.368 2.083 30 10 JEEE CC(C)(C)OC(=O)NCCCn1cc(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)cn1 2281990988 VBAANTMCKDIMQL-UHFFFAOYSA-N 460.344 2.073 30 10 JEEE Cn1nc(C(=O)N2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2282053113 SKJHXPZCDQFJFJ-OKILXGFUSA-N 480.802 2.312 30 10 JEEE C[C@@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1)C1(O)CCN(C(=O)OC(C)(C)C)CC1 2282202297 AXHYDQDMLIYXNK-OAHLLOKOSA-N 463.384 2.194 30 10 JEEE C[C@H](NC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 2282546912 NGMXZIATUBOFLF-HOTGVXAUSA-N 462.400 2.485 30 10 JEEE Cc1nn(C)c(C(=O)N2[C@@H](C)CN(C(=O)OC(C)(C)C)C[C@@H]2C)c1B1OC(C)(C)C(C)(C)O1 2282558891 MDXXMDKKJDCALJ-GJZGRUSLSA-N 462.400 2.498 30 10 JEEE Cc1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@]2(C)CO)oc1B1OC(C)(C)C(C)(C)O1 2282585108 YUYGQBRGTJKVRW-HSZRJFAPSA-N 464.368 2.331 30 10 JEEE Cc1nn(C)c(C(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)c1B1OC(C)(C)C(C)(C)O1 2282586242 WKGLMEYNRDRIFJ-ZBFHGGJFSA-N 462.400 2.261 30 10 JEEE Cn1nc(C(=O)N2CCC23CC(CNC(=O)OC(C)(C)C)C3)cc1B1OC(C)(C)C(C)(C)O1 2282620902 LKQSVGBGUAEPOH-UHFFFAOYSA-N 460.384 2.239 30 10 JEEE CC1(C)OB(c2ccc(C(=O)N3C[C@H]4CC[C@H]3[C@H](NC(=O)C(F)(F)F)C4)nc2)OC1(C)C 2282686001 MZXQYMFCQQSHMV-MAZHCROVSA-N 453.270 2.052 30 10 JEEE CN(C[C@@H](O)CNC(=O)OC(C)(C)C)C(=O)c1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1F 2282718015 QXAQJILNLHPIRX-ZDUSSCGKSA-N 470.322 2.222 30 10 JEEE CON(C1CN(C(=O)OC(C)(C)C)C1)S(=O)(=O)Cc1ccccc1B1OC(C)(C)C(C)(C)O1 2282838267 LRTHSDJUDSNIQJ-UHFFFAOYSA-N 482.408 2.298 30 10 JEEE COC[C@]1(C(=O)N[C@H]2CCC=C2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)CCO1 2283960245 WASBVDZLEYMVFA-SBUREZEXSA-N 466.384 2.475 30 10 JEEE N#Cc1ccc(N2C[C@@H](C3CCN(C(=O)c4ccncn4)CC3)[C@@H](C(N)=O)C2)cc1C(F)(F)F 2297650494 OIMWISDKLUDOKZ-ROUUACIJSA-N 472.471 2.457 30 10 JEEE Cc1scc(C(=O)N[C@H]2COC[C@@H]2NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2320438504 APRCSOVJZRJIMQ-GJZGRUSLSA-N 452.382 2.378 30 10 JEEE COC(=O)CSc1nnc([C@@H]2CC(=O)N(Cc3ccccc3)C2)n1N=Cc1ccncc1 2325921227 XKYSXGYFMSFCSS-GOSISDBHSA-N 450.524 2.337 30 10 JEEE COC(=O)c1ccc(C=Nn2c(CCc3ccc(OC)c(OC)c3)nnc2SCC(N)=O)cc1 2326182943 AWFHPRLCGVMTKX-UHFFFAOYSA-N 483.550 2.327 30 10 JEEE Cc1cccc(OC[C@@H](O)Cn2c(NN=Cc3ccc(Cl)cc3)nc3c2c(=O)n(C)c(=O)n3C)c1 2327753916 GQWLNCFINKHOMC-SFHVURJKSA-N 496.955 2.281 30 10 JEEE CCN(CC)C(=O)CSc1nnc(COC)n1N=Cc1cc(OC)c(OC)cc1OC 2331549183 QUMTUXPLYQPLEN-UHFFFAOYSA-N 451.549 2.293 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1[C@H]2C[C@H](CN(C(=O)[C@@H]3C[C@@H]3B3OC(C)(C)C(C)(C)O3)C2)[C@H]1CO 2334272006 PNSBXJIUVZODAZ-SUMCQTLJSA-N 450.385 2.449 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(C)[C@@H](C)CN(C)C(=O)OC(C)(C)C)n1C 2337321494 LELBVSMAXDHPPF-AWEZNQCLSA-N 450.389 2.355 30 10 JEEE COc1nc(O[C@@H]2COC[C@H]2N(C)C(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2339825067 PGYKKNKWAXVNTA-HZPDHXFCSA-N 450.341 2.403 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2CC[C@H]1[C@@H]2NC(=O)OC(C)(C)C 2359266190 JIOORDBLFDBHGV-BHYGNILZSA-N 460.384 2.330 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2S(C)(=O)=O)n1 2362154323 RPMTWBVYXNYHIM-IAGOWNOFSA-N 481.424 2.134 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC(C)(C)C1 2362338340 QVNASXSPTAWWNO-HNNXBMFYSA-N 462.400 2.485 30 10 JEEE CC1(C)OB(c2cccc(CS(=O)(=O)N[C@H](CCO)COCc3ccccc3)c2)OC1(C)C 2369633903 OLVOTVNGRBRWNY-JOCHJYFZSA-N 475.416 2.373 30 10 JEEE Cc1cc(CNC(=O)[C@@H]2COC[C@H]2NC(=O)OC(C)(C)C)cc(B2OC(C)(C)C(C)(C)O2)c1 2369675220 DRWSJULKRODXFF-RTBURBONSA-N 460.380 2.450 30 10 JEEE COC(=O)c1ccc(/C=C2/Oc3c(CN4CCN(CCO)CC4)c(O)cc(C)c3C2=O)cc1 37857491 WWCFLLMNAQUGBR-KGENOOAVSA-N 452.507 2.213 30 10 JEEE COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 102432200 SGRLCOBYUJFTHN-UGUGFTGJSA-N 482.533 2.466 30 10 JEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCCN3C[C@H](C)C[C@@H](C)C3)nnc12 107628602 DEWBGGZFMAMVQN-IAGOWNOFSA-N 454.600 2.416 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)N(CC(=O)OC)Cc3cc(OC)cc(OC)c3)cc2C1=O 511544065 WMWNNPLWEICJRX-UHFFFAOYSA-N 452.463 2.301 30 10 JEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(OCCOC)c2)c(=O)n1-c1ccccc1C 603991084 VDTQIEGLEQTDHK-UHFFFAOYSA-N 475.570 2.038 30 10 JEEE C#Cc1cccc(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3ccc(-n4cncn4)c(F)c3)c2=O)c1 726578707 LMPJVLHRHMECDZ-UHFFFAOYSA-N 495.539 2.472 30 10 JEEE COc1ccc(CCNC(=O)CSc2n[nH]c(NN=Cc3ccc(O)c(OC)c3)n2)cc1 1083897983 NOASZNMGUIRETB-UHFFFAOYSA-N 456.528 2.425 30 10 JEEE C=CCn1cc(CNC(=O)c2cc(S(=O)(=O)N3CCc4ccccc43)ccc2OC)nn1 1276646088 FDOCHEHDRNAFHL-UHFFFAOYSA-N 453.524 2.154 30 10 JEEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1286375337 VYCHTGCKNGPMJU-QGZVFWFLSA-N 454.579 2.435 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCCN1CC)[C@@H]1CCS(=O)(=O)C1 1286387336 CSWHNWKQBLIEBY-FCHUYYIVSA-N 466.611 2.318 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CC1CCN(CCC)CC1)[C@@H]1CCS(=O)(=O)C1 1286390648 DFJJJPBURJFJBJ-JOCHJYFZSA-N 470.643 2.013 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(N(C)C)cc1C)[C@@H]1CCS(=O)(=O)C1 1286393074 DIEGKMXNJQMNCF-HSZRJFAPSA-N 495.653 2.189 30 10 JEEE C#CCN(c1nnc(COc2ccccc2OCC)n1Cc1ccc(F)cn1)[C@@H]1CCS(=O)(=O)C1 1286397044 RFYFQZWUYOOJDZ-HXUWFJFHSA-N 499.568 2.465 30 10 JEEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1C[C@@H]1CCN(CC)C1)[C@@H]1CCS(=O)(=O)C1 1286398349 XLULMKKFKKWCKD-FGZHOGPDSA-N 485.654 2.442 30 10 JEEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCc1cccc(C(N)=O)c1 1286446506 GTXCONIEXIWKSS-UHFFFAOYSA-N 458.570 2.253 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1C[C@H]1CN(Cc2ccccc2)CCCO1 1286458633 AGNSRCSMEZDAQB-HSZRJFAPSA-N 463.586 2.056 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H]2CC=CCO2)CC1 1286488972 AACVYOCKBGBCGX-HXUWFJFHSA-N 465.554 2.273 30 10 JEEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1286499176 FNGRBNXVJKRAGS-VQTJNVASSA-N 476.624 2.099 30 10 JEEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CC(=O)N(c2ccccc2)C1)C1CC1 1286732329 PWUJFCANNHVGEA-DLBZAZTESA-N 458.588 2.096 30 10 JEEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1286776456 ZHHHXJUFGVQCGB-QZTJIDSGSA-N 460.579 2.364 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1286802306 SIYOJDPKAWSMKV-YWZLYKJASA-N 470.954 2.069 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccc3OC)n2C[C@H]2CCCS(=O)(=O)C2)C1 1286807026 IPCFXJPGYOCBML-QUCCMNQESA-N 460.600 2.484 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCO[C@H](C#N)C1 1286815399 UCQQLYFWOIVURO-NVXWUHKLSA-N 461.613 2.461 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@]2(CCOC2)C1 1286816374 KCRCPUHHHARKQX-JOCHJYFZSA-N 462.572 2.180 30 10 JEEE CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1297699165 CBKXOZCAMIKXSC-UHFFFAOYSA-N 471.562 2.056 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCC(=O)N1CCCCC1 1300298694 GOVPBUYVWALCNW-QGZVFWFLSA-N 457.604 2.099 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCOCC1(C)C 1300310576 NSZHAEKMDQERQW-MOPGFXCFSA-N 476.622 2.155 30 10 JEEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC[C@@H](C(F)F)N1CCOCC1 1300455673 OHNYFVKCMPBKEH-FQEVSTJZSA-N 499.566 2.490 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H](C)Oc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1300497430 BKBSXQRCYMLCDR-NQIIRXRSSA-N 483.569 2.497 30 10 JEEE COc1ccccc1CCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1300586122 BPXBQZULFMWQME-UHFFFAOYSA-N 474.569 2.261 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2cn(CCCC)nc2C)CC1 1300710450 BDQGUDSUJWXMMP-UNMCSNQZSA-N 455.607 2.111 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccc(OCC(C)C)c2)CC1 1300723621 XYRGARWCYVQQCT-QFIPXVFZSA-N 478.597 2.278 30 10 JEEE C=C(Br)Cn1c(N2CC[C@@H](CN3CCOCC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1300861190 BLQLHHBWVPLICO-GHTZIAJQSA-N 484.439 2.386 30 10 JEEE C=C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCNS(=O)(=O)Cc2ccon2)CC1 1301075745 PLAKSAJVAMPLBM-UHFFFAOYSA-N 463.951 2.258 30 10 JEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1[C@H]1CCCO1 1301188387 IMFWPWLFIPHXOK-OTWHNJEPSA-N 453.609 2.115 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1301489729 AVRNLRXRXIQBHK-GOSISDBHSA-N 459.913 2.351 30 10 JEEE CC(C)[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1301980358 BOCUCLXYVYNWAM-FNZWTVRRSA-N 479.629 2.357 30 10 JEEE C#CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC1(O)CCS(=O)(=O)CC1 1358939323 UTVRIVCOYHVGIX-HNNXBMFYSA-N 452.964 2.081 30 10 JEEE C#CCN(C)c1nnc(COc2ccccc2F)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1358954028 SDEWDPMWAVXAOH-IEBWSBKVSA-N 461.563 2.270 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1C[C@H](C)O[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1358956104 AIJFOFLYMNCXAB-KEVRVKNQSA-N 494.658 2.149 30 10 JEEE C#CCN(c1nnc(-c2ccccc2)n1CC1(SC)CCN(C)CC1)[C@@H]1CCS(=O)(=O)C1 1358959445 JBWCJTONALOJJV-HXUWFJFHSA-N 473.668 2.399 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1CC1(O)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1358965055 NBIZWPTVPDZFSX-HXUWFJFHSA-N 472.611 2.199 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H](c1ccsc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1358965332 SKLGGZVVJHODFU-RTWAWAEBSA-N 484.651 2.255 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1Cc1ncnn1C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1358967387 JLBBHCXYHARTOO-LJQANCHMSA-N 497.625 2.187 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCNC(=O)OC(C)(C)C 1358979408 LMIGNFQUULBMRH-SFHVURJKSA-N 488.589 2.184 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H]1CC(=O)N(c2ccccc2)C1 1358985640 CZJOGNAXIFDBKU-QFQXNSOFSA-N 461.566 2.446 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(SC)CCN(C)CC1 1358991564 GOFWBZZBLIFHDH-UHFFFAOYSA-N 489.649 2.482 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(F)cc2Br)n1CCNC(=O)c1cc[nH]n1 1359021127 CKBUNIVKORAIJD-UHFFFAOYSA-N 490.337 2.086 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CCc2nccnc2C)CC1 1359045752 RWGXKOITJYNXNQ-UHFFFAOYSA-N 461.545 2.315 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1359189106 ALSVKGGIKLIBLA-UYAOXDASSA-N 491.662 2.461 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(CN2CCCCC2)cc1 1359240381 MYDZUXKVFAHBEF-QFIPXVFZSA-N 488.658 2.267 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(C(C)(C)C)CC1 1359291682 ABXTUGZDMLMDMX-UHFFFAOYSA-N 474.009 2.084 30 10 JEEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N[C@@H]2C[C@H](O)[C@H](O)C2)c1 1455991156 RFRADOCUXOSBMX-VVNNIFPWSA-N 450.944 2.335 30 10 JEEE C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)NCc2ccc(CN3CCN(C)CC3)cc2)cc1 1466172865 GIWKBIVQORUKKR-GOSISDBHSA-N 455.584 2.441 30 10 JEEE CCc1ccc(-c2nnc(N3CCN(c4nccnc4C#N)C[C@@H]3C)n2CC(=O)NCC(F)F)cc1 1497963761 FLYWHHVSSAGPJG-INIZCTEOSA-N 495.538 2.266 30 10 JEEE CCN(CC)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCOC[C@H]2C)CC1 1501780195 GJTLYMMCPRFSGK-NFBKMPQASA-N 479.629 2.480 30 10 JEEE CN(C)C1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(CC#N)CC2)CCCCC1 1503385277 GCYKCLSCCFXQKP-HXUWFJFHSA-N 493.678 2.006 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cc(Br)cn3C)n2CC(=O)N(C)C)c1 1507549644 JTFDPXXCOLRHGV-UHFFFAOYSA-N 498.385 2.191 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1CCN(CC)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1507623561 UFWIUHBMXWYXAN-KRWDZBQOSA-N 467.636 2.459 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@](C)(OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1507628123 NEXVOJXZBRCTMA-UTKZUKDTSA-N 463.991 2.435 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1Cc1ccc(N(C)C)nc1)[C@H]1CCS(=O)(=O)C1 1507629192 KLNGBGVKOGAQHD-IBGZPJMESA-N 480.594 2.090 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1Cc1sc(C)nc1C)[C@H]1CCS(=O)(=O)C1 1507641009 XTEYKPFZHITEGF-IBGZPJMESA-N 496.618 2.477 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCN(C)[C@H]1c1cccs1 1507660197 OCSZWROGGRGEBA-IRFCIJBXSA-N 488.683 2.496 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC(=O)N1CCOCC1 1507670244 ZZNPSZFEZHSGNG-OAQYLSRUSA-N 498.628 2.104 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(C)CCOCC1 1507699100 BLHQYBKGLQYYHY-QGZVFWFLSA-N 463.579 2.484 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccccn2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1507701081 WVADWKCSVKAXJZ-LJQANCHMSA-N 468.558 2.401 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C(=O)c2ccco2)CC1 1507825482 XPPZJPIHOUWDPS-UHFFFAOYSA-N 484.582 2.327 30 10 JEEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 1507853064 GMIJLDXDKKXGQP-GJZGRUSLSA-N 477.031 2.382 30 10 JEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C(F)(F)F)C1 1507955140 VPLQEEFKMVQUCR-CABCVRRESA-N 451.515 2.356 30 10 JEEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1nc(O)c2ccccc2n1 1507957145 LJLHVKMEKGZBMZ-UHFFFAOYSA-N 451.531 2.392 30 10 JEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2cccc(OC)c2)C1 1507968574 VLOLTYXLBLAAKX-PZJWPPBQSA-N 476.599 2.359 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CCN1CCSCC1 1507999343 ZDXWXRNHMSKNGQ-FQEVSTJZSA-N 456.616 2.479 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@H](OC)C(C)(C)C1 1508075220 WQSJXMRTKGWVRL-SFHVURJKSA-N 459.547 2.134 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N(C)Cc1cscn1 1508084333 AICIIXISHKEXOX-UHFFFAOYSA-N 478.582 2.460 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1508095044 RTCHTKLSMDRXAY-SFHVURJKSA-N 469.615 2.221 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CCN2CCCC[C@@H]2C1 1508144263 OPZSXYUIYPSBAC-HXUWFJFHSA-N 459.616 2.153 30 10 JEEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1508147362 JDEMSDGSMKRXHE-AWEZNQCLSA-N 483.520 2.349 30 10 JEEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ncc(CC)s2)C1 1516021911 FWNDBQMVFQBOGZ-SFHVURJKSA-N 471.612 2.402 30 10 JEEE C#CCSCC(=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2Cl)CC1 1522344915 NXZGCGPUYCQXHL-UHFFFAOYSA-N 451.795 2.302 30 10 JEEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(c2nccnc2C)CC1 1539125439 MBDORXIGWXXEBC-HXUWFJFHSA-N 496.616 2.425 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccccc1-n1cccn1)[C@@H]1CCS(=O)(=O)C1 1539202054 FLDMIVTWGYNAAG-LJQANCHMSA-N 452.584 2.436 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1cccc(Br)n1)[C@H]1CCS(=O)(=O)C1 1539215957 LYECHOVXHRUDAV-KRWDZBQOSA-N 487.383 2.173 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1CCc1cccc(C(=O)NC)c1)[C@H]1CCS(=O)(=O)C1 1539221001 XSXKCDRQDMHHHX-FQEVSTJZSA-N 471.627 2.096 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1([S@@](C)=O)CCC1 1539315923 ZDYKUDQYVNMDJY-UUWRZZSWSA-N 476.606 2.439 30 10 JEEE C#CCSCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCNC(=O)[C@H]1CC 1539513538 KNMITCDGHJKLSS-ZWKOTPCHSA-N 476.647 2.474 30 10 JEEE C=C(Cl)Cn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1539811442 FHNOHSZLGNEWHA-QGZVFWFLSA-N 450.012 2.129 30 10 JEEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCc1cccc(C(=O)NC)c1 1540063817 DJIJBDKWRHOGJN-UHFFFAOYSA-N 467.599 2.463 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1540900661 DDADXRWFCQFRSV-KRWDZBQOSA-N 476.603 2.387 30 10 JEEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C)cc2)CC1 1540909853 QTDIUDUPPIPYNA-SFHVURJKSA-N 464.661 2.443 30 10 JEEE CNC(=O)[C@H]1CN(C(=O)c2noc(C)c2COC)CCN1c1ccc(C#N)c(C(F)(F)F)c1 1548367711 IBBYGDCYUSQTDV-QGZVFWFLSA-N 465.432 2.097 30 10 JEEE CN(C)C(=O)[C@H]1CC2(CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)CN1S(=O)(=O)N(C)C 1548379305 ACWHJAGXZLMARD-GOSISDBHSA-N 487.548 2.133 30 10 JEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N(C)C 1585774796 GDGJTJMGDHUREB-INIZCTEOSA-N 452.577 2.248 30 10 JEEE CCCC[C@H](NC(=O)[C@@H](C)NC(=O)C(C)(C)C)C(=O)N1CCN(c2ccc(C#N)cc2)CC1 1586110772 BHHPLGRNIWEWAZ-NQIIRXRSSA-N 455.603 2.433 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCCC(F)(F)C1 1587638993 IQNKTINIBXNQSJ-YESZJQIVSA-N 459.563 2.285 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2=CCCCC2)c1 1587683779 NWQBQFVOOGEKAM-QGZVFWFLSA-N 470.599 2.445 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1c(F)cc(F)c(F)c1F)[C@H]1CCS(=O)(=O)C1 1588055221 UAWRKWAUPLZSQU-KGLIPLIRSA-N 486.491 2.404 30 10 JEEE C#CCN(CC#CC)c1nnc(Cc2cccnc2)n1Cc1cccc(OCC(=O)N(C)C)c1 1588237452 BCFCCXVUPQOXPN-UHFFFAOYSA-N 456.550 2.242 30 10 JEEE C#CCSCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCN(S(C)(=O)=O)CC1 1589053101 HFXSKRIFIMSLCA-UHFFFAOYSA-N 472.596 2.048 30 10 JEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCCN(C(=O)CCc2ccccc2)CC1 1589110237 RNBWYEAJPFYVBL-UHFFFAOYSA-N 494.665 2.438 30 10 JEEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2nccc(OCC)n2)CC1 1589381447 CIIPTGDIBSMKOR-UHFFFAOYSA-N 474.367 2.103 30 10 JEEE C=CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1Cc1cccc(C(=O)N(C)C)c1 1595296468 GCYLIMUWPZTCLK-UHFFFAOYSA-N 466.542 2.395 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCN(C)C(=O)C1 1595477143 RMMQURNIQFDYLO-MRXNPFEDSA-N 460.966 2.269 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CC[C@H](CN2CCCCC2)C1 1595798923 VNGKQAQSDGVNQE-UXHICEINSA-N 451.637 2.085 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1ccc(N2CCCC2)nc1 1611696246 DUFKFLBBIFSGLS-HTAPYJJXSA-N 472.619 2.062 30 10 JEEE COc1ccc(/C=N/Nc2nc3nonc3nc2N/N=C/c2ccc(OC)c(O)c2)cc1O 1615169294 ZKTKPYKJZLXWMW-VGENTYGXSA-N 450.415 2.333 30 10 JEEE C#CC[C@@]1(C(=O)NCc2ccc([C@]3(C)NC(=O)NC3=O)cc2)CCCN1C(=O)OC(C)(C)C 1627687981 HBMRMSHIKZUHLF-ZEQRLZLVSA-N 454.527 2.150 30 10 JEEE C=CCC1(O)CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)CC1 1645764182 VNJKRHUHMFQCOE-UHFFFAOYSA-N 452.573 2.034 30 10 JEEE C[C@H]1CN(CCCn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H](C(N)=O)C2)C[C@H](C)O1 1649557705 GRXJNAZBEPPJHU-WFXMLNOXSA-N 451.575 2.018 30 10 JEEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2CN(C)CCO2)n1 1685967655 SPKCLWWEFVXFRY-FGZHOGPDSA-N 459.978 2.400 30 10 JEEE C#CCCCn1c(COc2ccccc2F)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1689940155 PCJZACWDTCKYNW-UHFFFAOYSA-N 463.517 2.230 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1ccccc1)C1CC1 1690046756 GRHUAZRMVRVWNE-DHIUTWEWSA-N 481.622 2.268 30 10 JEEE C#CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](CC(N)=O)C1 1690174655 HMQOJVIQCBJTHX-ZWKOTPCHSA-N 492.646 2.045 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc3ccccc3n2)nnc1N(C)CCNS(C)(=O)=O 1690241845 YEMWTSWWULQNIJ-WIYYLYMNSA-N 470.599 2.460 30 10 JEEE C=CCCOCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1690497089 HDRMTBOIJSQGDE-HSZRJFAPSA-N 472.977 2.171 30 10 JEEE C=CCn1c(N2CCN([C@@H](C)C(=O)NC3CC3)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1690653597 YHBRZVYPCXYUQU-JENIJYKNSA-N 473.622 2.024 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](c2ccc(CC)cc2)C1 1690714624 QCYMIVFZUWJXPG-OAQYLSRUSA-N 487.626 2.255 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1690725207 IKCAVNITSAJOII-WIYYLYMNSA-N 494.061 2.280 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CCCN(C(=O)C(C)C)CC1 1690729382 NQVQWJZYSYZPNY-UHFFFAOYSA-N 489.642 2.461 30 10 JEEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(Cc2ccc(OC)cc2)C(=O)C1 1690742561 URDRZQUVPPUFSX-HXUWFJFHSA-N 484.626 2.396 30 10 JEEE C=CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(=O)COC)CC1 1690752865 SZOIDALEEFCSAO-IEBWSBKVSA-N 451.637 2.411 30 10 JEEE CC(C)CCN(CCC#N)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1692346419 DPRPMPJJYOBDDB-XMMPIXPASA-N 497.625 2.447 30 10 JEEE Cn1cnnc1Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC(C#N)CC1 1696873164 AWRBKFYKLJDPJS-UHFFFAOYSA-N 455.567 2.309 30 10 JEEE CS(=O)(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2cccnc2)CC1 1698301452 CFCORGXABOQSBE-UHFFFAOYSA-N 466.567 2.380 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@]1(O)CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1705568734 UOIMBHRJMSZWGX-HFJQGTKSSA-N 476.574 2.174 30 10 JEEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1CCCn1cc(Br)cn1 1705585070 JQKCMOZKGZFDHW-UHFFFAOYSA-N 455.364 2.262 30 10 JEEE CCC1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(OCC(N)=O)CC2)CCOCC1 1708880569 HWEFFXUQLRUPMQ-UHFFFAOYSA-N 452.559 2.494 30 10 JEEE CCN(CC)C(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCSC2)CC1 1710003369 AEXQWRPVUBWTSU-HSZRJFAPSA-N 469.615 2.269 30 10 JEEE COC1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@@](C)(C#N)C2)CCCCC1 1711627788 HEBASPUJFPMNGH-NQIIRXRSSA-N 480.635 2.090 30 10 JEEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCC1(F)CCC1)[C@@H]1CCS(=O)(=O)C1 1722360367 UCNYHYHXFPAHTB-GOSISDBHSA-N 494.614 2.258 30 10 JEEE C#CCN(c1nnc(-c2ccc3ccccc3n2)n1CCC(=O)NCCC)[C@H]1CCS(=O)(=O)C1 1722364456 ZZUBRMOTIZNQJR-IBGZPJMESA-N 480.594 2.036 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)N(C)C1CC1 1722382523 ALDMRQMQMHCKRC-QUCCMNQESA-N 456.591 2.142 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2Cc2nncn2CC)CC1 1722436117 XLBADSXOYJZVGZ-UHFFFAOYSA-N 485.390 2.131 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2CCOC2)CC1 1722443446 JKLROWANSJPJQU-AWEZNQCLSA-N 461.364 2.038 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCc2ccc(S(C)(=O)=O)cc2)CC1 1722448851 ZTFURIDSXZVFBB-JOCHJYFZSA-N 499.637 2.132 30 10 JEEE CCC[C@@H]1C[C@H]1n1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(C#N)cc1 1728246742 CJZNHGBBCRDMPS-VAMGGRTRSA-N 458.588 2.480 30 10 JEEE COCCN(C)S(=O)(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(C)CC2)C1 1730733620 CNVLMXVTLLMKMV-FQEVSTJZSA-N 472.615 2.494 30 10 JEEE N#Cc1ccc(OCc2nnc(N3CCC(OCC(N)=O)CC3)n2C[C@H]2CCCSC2)cc1 1731181595 CUNSBYOYGMVKOV-GOSISDBHSA-N 470.599 2.343 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2CCCc2cnn(C)n2)c1 1740562378 JJGCWSOCTPEPOU-UHFFFAOYSA-N 455.526 2.158 30 10 JEEE C#CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1740567401 KHPFSEOPTBMYHZ-HNNXBMFYSA-N 469.409 2.357 30 10 JEEE C#CCCCCn1c(-c2ccc(C)o2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1740568992 XMWXBOUYPKPNOX-UHFFFAOYSA-N 471.587 2.203 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCOc1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 1740621980 RJRUPUACHHSJGW-QGZVFWFLSA-N 474.974 2.038 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(F)cc2Br)n1C[C@H]1CC(=O)N(CCOC)C1 1740635825 RPZIBOOZQVTHAO-INIZCTEOSA-N 488.361 2.414 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCN1CCCO[C@H](C)C1 1740652627 HQAGVBLUTLUYCI-OAQYLSRUSA-N 497.669 2.202 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@](C)(O)c1ccco1 1740663965 COKYATKTYDQZAY-JOCHJYFZSA-N 457.556 2.156 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2CCN2c3ccccc3C[C@@H]2C)CC1 1740691077 UCOQVTQUDNLKRG-LEWJYISDSA-N 452.603 2.209 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCOc2ccc(OC)cc2)CC1 1740693471 ZDXDBQAZCMRJPY-VWLOTQADSA-N 469.586 2.162 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCN(C)c2ccccc2)CC1 1740703283 MNZPXDOVZSPXIB-MHZLTWQESA-N 494.640 2.421 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCOCc2ccc(OC)cc2)CC1 1740706477 YUEXNRZQCVVSDK-JOCHJYFZSA-N 481.597 2.363 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCS(=O)(=O)CC1 1740795098 NZVOVYRXBFGMDX-GOSISDBHSA-N 483.635 2.220 30 10 JEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCSCc1ccc(C)cc1 1740900707 WSFLEHXEHBYDAS-LJQANCHMSA-N 465.645 2.475 30 10 JEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)c1nccs1)C1CC1 1740909951 DXDLTHJEPOPYKJ-GDBMZVCRSA-N 452.606 2.026 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N1CCOCC1 1740913772 HHIOVUFKLAJOOM-CTNGQTDRSA-N 489.642 2.102 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc(Cc2cccnc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1740920915 XPYBYRCGBFLZFZ-QHCPKHFHSA-N 471.558 2.145 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN(c2cc(C)nc(C(C)C)n2)CC1 1740993650 BENUYCDCFWQFEQ-UHFFFAOYSA-N 473.647 2.380 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1nc(C)c(C)s1)[C@@H]1CCS(=O)(=O)C1 1748819162 LRXMOEBHCUKGMI-GOSISDBHSA-N 456.597 2.012 30 10 JEEE C#CCN(c1nnc(Cc2c[nH]c3ccccc23)n1CCC(=O)NC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1748821268 NWMRKRPEDITVSQ-IBGZPJMESA-N 496.637 2.282 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC2([S@@](C)=O)CC2)CC1 1749006083 HXOMTOVFNCBWNI-WJOKGBTCSA-N 460.003 2.475 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCCNC(=O)c2cccc(O)c2)CC1 1749009233 GXXLHJRXBWILJX-JOCHJYFZSA-N 494.596 2.011 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1COc2ccccc21 1749159846 ZZERCPGGEIKJJD-PXNSSMCTSA-N 461.588 2.190 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc(-c2cnccn2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1749538466 JWJXFFZFQIISCP-IBGZPJMESA-N 453.572 2.209 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](c2cccc(Br)c2)C1 1749663710 NVYFODLOZOQNCP-SFHVURJKSA-N 486.374 2.321 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1749690568 UHGKDZGCHDNOAZ-HXUWFJFHSA-N 481.601 2.426 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCS[C@@H](CC)C1 1749730852 SUNVGPMUBJDWDG-INIZCTEOSA-N 488.639 2.125 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[C@@H]2CCO[C@@H](C)C2)c1 1760128509 KMTUGMGCRNLANI-CEWLAPEOSA-N 499.637 2.442 30 10 JEEE C#CCCCn1c(COc2ccccc2OC)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1760158305 IXJIYUJDPUZMAQ-OAQYLSRUSA-N 466.542 2.046 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1C[C@H]1CCCCS1(=O)=O)[C@H]1CCS(=O)(=O)C1 1760182569 GLUHWWYOVODRHE-RBUKOAKNSA-N 497.042 2.193 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1CCOc1ncccc1F)[C@@H]1CCS(=O)(=O)C1 1760184523 JDIXNMOYERDFKW-QGZVFWFLSA-N 485.541 2.194 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H](C)c1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1760185432 XCHDRHOJYBHYBF-CRAIPNDOSA-N 456.572 2.319 30 10 JEEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1C[C@@](C)(O)CCC(C)C)[C@@H]1CCS(=O)(=O)C1 1760190299 PBVCOKSXJCCXFQ-BWKNWUBXSA-N 498.653 2.331 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@](C)(O)C(C)C)[C@H]1CCS(=O)(=O)C1 1760191225 CZYOUSFHBURULJ-CVDCTZTESA-N 460.600 2.199 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2CCn2c(C)nc3ccccc32)CC1 1760257370 UZWQGSKRHOVEFL-LJQANCHMSA-N 451.575 2.116 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2C[C@@]2(C)CN(C)C2=O)CC1 1760265630 GDUPVZHVPXTBGY-NFQMXDRXSA-N 492.624 2.479 30 10 JEEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1760277753 SFBCROLNJKGJRU-HXUWFJFHSA-N 470.624 2.187 30 10 JEEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccccc2OC)CC1 1760445637 QTFFDRNIIYLMRM-UHFFFAOYSA-N 454.575 2.442 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N(C)CC(=O)Nc1ccc(C)cc1 1760555409 FIZHAUBLNJNLFM-SFHVURJKSA-N 461.588 2.156 30 10 JEEE CC(=O)N1CCC[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N(C)CC(=O)NC(C)(C)C)C1 1760591905 UVJIOCMEDNUPIX-IBGZPJMESA-N 451.575 2.426 30 10 JEEE CC[C@H](C)NC(=O)c1cccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@@H](C)C#N)c1 1762026163 HKRYXCPGKRPNDH-ABSDTBQOSA-N 472.615 2.353 30 10 JEEE COCCN(CCC#N)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H]1CCCCS1(=O)=O 1769845032 GGKOBGHTTYKCCR-PXNSSMCTSA-N 475.571 2.124 30 10 JEEE COCCN1C[C@H](Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2CCC(C#N)CC2)CC1=O 1769876723 DKPUSYIPJKSJFW-GOSISDBHSA-N 468.558 2.197 30 10 JEEE COCCC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1770966846 CTUQCFJMRKCIRB-UHFFFAOYSA-N 481.601 2.454 30 10 JEEE Cc1ccc(-c2nnc(N3CCN(CC(=O)[C@@H](C#N)c4nc5ccccc5n4C)CC3)nc2O)cc1 1859428386 XMBRPLAHNYZKJQ-LJQANCHMSA-N 482.548 2.438 30 10 JEEE COCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1862603237 UYGXWKBIYNUKKY-LJQANCHMSA-N 456.407 2.296 30 10 JEEE Cc1ccccc1-n1nnc(C#N)c1NC(=O)CCCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 1870155291 FVJICUXCRDQCDF-UHFFFAOYSA-N 459.422 2.371 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCCc2ccc(OC)cc2)cn1CCCO 1870644081 OPLHCJCDPOPTGD-UHFFFAOYSA-N 469.582 2.151 30 10 JEEE Cc1nnc(SCC(=O)NC2CCCC2)n(/N=C/c2c(C(=O)O)n(C)c3ccccc23)c1=O 1873494694 FRIYBSUZLCIGTL-FOKLQQMPSA-N 468.539 2.170 30 10 JEEE C=CCn1c(C(=O)NC[C@@H](c2ccc(O)cc2)N(C)C)cc2c(N3CCN(CC)CC3)ncnc21 1873595786 RTVJVQZFCCYJCS-QHCPKHFHSA-N 477.613 2.498 30 10 JEEE CCCNC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)(C)C)C2)n1/N=C/c1ccc(O)c(O)c1 1874274891 WGNYBGBSYKPYQR-SWKNLOBNSA-N 474.587 2.304 30 10 JEEE CN1CCN(CC#CCOC2CCN(C(=O)Cc3csc(NC(=O)C4CCCC4)n3)CC2)CC1 1890352137 YIABWMBXAVIROA-UHFFFAOYSA-N 487.670 2.073 30 10 JEEE N#CC1CCN(CCNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 1890482751 BRWIFZHHJHRRRJ-SFHVURJKSA-N 458.506 2.210 30 10 JEEE CN1CCN(CC#CCOC2CCN(C(=O)CC3CCN(C(=O)OC(C)(C)C)CC3)CC2)CC1 1891212299 ANTAZOCWWKYDRS-UHFFFAOYSA-N 476.662 2.282 30 10 JEEE CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)NC1CC(B2OC(C)(C)C(C)(C)O2)C1 2124539241 SPPYLRGULONNSK-DQPZFDDXSA-N 453.389 2.393 30 10 JEEE C[C@H](CN(C)C(=O)OC(C)(C)C)NC(=O)c1nn(C)c(Cl)c1B1OC(C)(C)C(C)(C)O1 2255649860 MJURRWLICCUQLE-GFCCVEGCSA-N 456.780 2.358 30 10 JEEE CC1(C)OB(c2cncc(S(=O)(=O)N[C@@H]3CCN(C(=O)OCc4ccccc4)C3)c2)OC1(C)C 2255739228 GYOYJAVXGSIVTG-LJQANCHMSA-N 487.387 2.070 30 10 JEEE COCCN(CCNC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2255807149 PMRQFQIXCJUCQI-UHFFFAOYSA-N 455.386 2.056 30 10 JEEE CO[C@H]1C[C@@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)s2)N(C(=O)OC(C)(C)C)C1 2256629177 QVGAJWXBBWMGHG-STQMWFEESA-N 453.370 2.405 30 10 JEEE CN(CCNC(=O)OC(C)(C)C)CC(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)s1 2256675214 PFSRAJKXJWQCGT-UHFFFAOYSA-N 453.414 2.120 30 10 JEEE C[C@H]1CC[C@@H](CNC(=O)C(F)(F)F)N(C(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2267489190 VOUGZAUAGSGASJ-RYUDHWBXSA-N 461.315 2.362 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CC[S@](=O)(=NC(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267588589 OBSZVVVUPACIJP-MWOWJKGTSA-N 465.381 2.286 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CNS(=O)(=O)c3sccc3B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2267717548 FSMMPTOLMAXGNH-QDMKHBRRSA-N 484.449 2.439 30 10 JEEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)[C@@H]2C[C@@H]21 2267718227 PXLCOWVQLPTTAH-ZWKOTPCHSA-N 464.393 2.368 30 10 JEEE Cc1cc(CNC(=O)CN(C)CCNC(=O)OC(C)(C)C)sc1B1OC(C)(C)C(C)(C)O1 2268716937 WERSWSLPDKOQCT-UHFFFAOYSA-N 467.441 2.428 30 10 JEEE CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1CCc2sc(B3OC(C)(C)C(C)(C)O3)cc2C1 2268789911 DRKWCYUGEHHJTB-HNNXBMFYSA-N 466.409 2.208 30 10 JEEE CO[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)N(C(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)C1 2281797179 QYGLFBUMQFLFKD-HZPDHXFCSA-N 461.368 2.135 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C(C)(C)C1 2282045260 ZNKPLFWWVBYVKV-INIZCTEOSA-N 462.400 2.485 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1C[C@H]2C[C@H]1CN2C(=O)OC(C)(C)C 2282052584 OQZMIAGGIWHZRC-ZMSDIMECSA-N 460.384 2.330 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCC[C@H]1CNS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282347048 RZWXWZFCAJMLOB-YJBOKZPZSA-N 481.424 2.353 30 10 JEEE Cn1cc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)[C@@H]3CCC[C@@H]23)nc1B1OC(C)(C)C(C)(C)O1 2282551734 FUHFORBALHIQHR-ZMSDIMECSA-N 460.384 2.237 30 10 JEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CCN(C)C[C@H]1CNC(=O)OC(C)(C)C 2282558603 CZERGHACQOJLNS-MRXNPFEDSA-N 463.384 2.168 30 10 JEEE COC(=O)[C@H](CC(=O)NCc1scc(C)c1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2283915765 IXTFQLCNYJSBLB-AWEZNQCLSA-N 482.408 2.428 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1NC(=O)[C@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C 2283965678 XWFUIXJROKHIEN-NVXWUHKLSA-N 462.352 2.303 30 10 JEEE Cc1cc(CNC(=O)[C@@H](NC(=O)OC(C)(C)C)C2COC2)ccc1B1OC(C)(C)C(C)(C)O1 2289468096 RGSZKKXGGWHHRN-IBGZPJMESA-N 460.380 2.450 30 10 JEEE COC[C@]12CCN(S(=O)(=O)c3cn(C)cn3)C[C@H]1CN(c1ccc(C#N)c(C(F)(F)F)c1)C2 2297648976 OBHVEGKORDWHLR-OXQOHEQNSA-N 483.516 2.474 30 10 JEEE CCOc1ccc(C=CC(=O)[C@@H]2C[C@H](NC(=O)CN3C(=O)c4ccccc4C3=O)CCN2)cc1 2328074865 SQDOYNVERGJHRM-GCJKJVERSA-N 461.518 2.201 30 10 JEEE CCOc1cc(C=Nn2c(Cc3ccccc3[N+](=O)[O-])nnc2SCC(N)=O)ccc1O 2328471516 YGLSBFFJKZXHKH-UHFFFAOYSA-N 456.484 2.341 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](CN=c2cc(B3OC(C)(C)C(C)(C)O3)c(F)c[nH]2)C[C@H]1O 2345739650 SYNXEDZZGGGPHQ-KBRIMQKVSA-N 451.348 2.018 30 10 JEEE Cn1cc(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 2359278113 WTSWSUJYVVZUDW-OTRWWLKZSA-N 460.384 2.141 30 10 JEEE Cc1cnc(C(=O)NCCOC2CN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2362201129 GEZKGOLXDANKPV-UHFFFAOYSA-N 461.368 2.055 30 10 JEEE CC(C)(C)OC(=O)NC[C@@]1(Oc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)CCCS(=O)(=O)C1 2368394536 KRERLBYDMREFNW-QFIPXVFZSA-N 482.408 2.232 30 10 JEEE C=CCn1c(S[C@@H](C)C(=O)N(C)CC(=O)NC2CC2)nnc1[C@@H]1COc2ccccc2O1 23518210 FJSTZBPMAUFXFB-KSSFIOAISA-N 457.556 2.194 30 10 JEEE C[C@@H]1C[C@H]2[C@@H]3CCC4=C(SCC(=O)O)C(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO 31290930 YNWPGLLPEDRZEY-AHAMZHHVSA-N 482.570 2.041 30 10 JEEE CSc1ccc([C@H]2c3c(nc(N4CCC5(CC4)OCCO5)[nH]c3=O)NC(=O)[C@H]2C#N)cc1 72444347 AHWGDHFZUBSQBE-JKSUJKDBSA-N 453.524 2.059 30 10 JEEE CCOC(=O)[C@@H]1CCCN(c2nc3c(c(=O)[nH]2)[C@@H](c2ccc(SC)cc2)[C@@H](C#N)C(=O)N3)C1 72445733 MUPOHFRWQWRAEV-OIISXLGYSA-N 467.551 2.495 30 10 JEEE O=C1C(=O)N(CCN2CCOCC2)[C@@H](c2cccs2)/C1=C(\O)c1ccc2c(c1)OCCO2 135645551 WQUYADVEEXECIR-NHFXJNLRSA-N 456.520 2.273 30 10 JEEE C#CCN(C(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1)[C@@H]1CCS(=O)(=O)C1 729334217 KENVVIZDCQSOJK-HZPDHXFCSA-N 457.379 2.495 30 10 JEEE CCCCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccc2c(c1)CCC2 729668947 GPZLEGCWLMLEQO-UHFFFAOYSA-N 483.597 2.455 30 10 JEEE COc1ccc(OCc2ccc(C=NNc3nc(SCC(=O)N4CCN(C)CC4)n[nH]3)o2)cc1 1084088404 IODLUHBWFDRCKJ-UHFFFAOYSA-N 485.570 2.297 30 10 JEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCCN(CCCc2ccccc2)CC1 1136529578 GOARRTJPOHIRCR-FQEVSTJZSA-N 454.596 2.392 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCCOc1ccc(F)cc1 1286295639 JYMARRQCNYEXAO-FXAWDEMLSA-N 479.578 2.067 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCCS1)[C@H]1CCS(=O)(=O)C1 1286391974 KJNWPRYHRSQUSE-IRXDYDNUSA-N 451.643 2.156 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@@H]1CCOC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1286395013 YQDLWGVMYLXZBE-BAGYTPMASA-N 456.612 2.363 30 10 JEEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1CC1(C(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 1286395214 LRRKUOOVSJIGCC-QGZVFWFLSA-N 475.640 2.333 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1(NC(=O)OC(C)(C)C)COC1 1286400776 GMQBWSIVNAOQHZ-UHFFFAOYSA-N 466.498 2.220 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@]2(N(C)C)CCC[C@H](C)C2)CC1 1286469217 BWDQUMUDDMUJGZ-CPJSRVTESA-N 457.667 2.462 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H]2CCOC[C@H]2OC)CC1 1286489587 YGZZXQNVVUTRLL-RTBURBONSA-N 472.977 2.011 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCOc2ccc(Cl)cn2)CC1 1286489900 HJYZJIHJVDUSLH-UHFFFAOYSA-N 465.945 2.433 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCCCN2C[C@H](C)C[C@@H](C)C2)CC1 1286493453 VPUISIQYUOMVDM-FGZHOGPDSA-N 497.688 2.124 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1Cc1ccccc1CN1CCOCC1 1286514858 QWSZBZMOWMDYOZ-RUZDIDTESA-N 450.587 2.289 30 10 JEEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CCOC(C)C)CC1 1286546922 BVFQMILAODIIBW-ROUUACIJSA-N 472.428 2.458 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1286552425 MKQIFINIGFIMFM-DVECYGJZSA-N 498.628 2.154 30 10 JEEE C=CC[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)COC)CC1)c1ccccc1 1286678350 VMCKJYSPNJIVQP-FQEVSTJZSA-N 454.575 2.071 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H]2CCC(=O)N2)C1 1286810293 PGVFOZOFGYTSSE-OTWHNJEPSA-N 474.606 2.453 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@H](C)[C@H](OC)C1 1286813852 DOYYIQXZUUEDQT-VQIMIIECSA-N 496.033 2.324 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1286814583 CSWCQIPGMLHBDW-HXUWFJFHSA-N 470.599 2.303 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@@H](Cn2cccn2)C1 1286816407 KOIAMVXNAXGQQD-QGZVFWFLSA-N 494.980 2.440 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)OCc2ccccc2)CC1 1286825537 SGLDPZLZAHDRNG-HXUWFJFHSA-N 489.598 2.189 30 10 JEEE CCOc1cc(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)ccc1OCC(=O)OC 1297332998 AAUKNRRQIYANRK-LJQANCHMSA-N 451.479 2.040 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(Cl)c1C 1300309969 WARYLNSYCBTALJ-KSSFIOAISA-N 451.980 2.079 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1Cc1ccc(C)cc1OCCOC)[C@@H]1CCS(=O)(=O)C1 1300487396 IXDNITDAKKLVMN-OAQYLSRUSA-N 497.621 2.292 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@@](C)(O)c1ccco1)[C@H]1CCS(=O)(=O)C1 1300503241 BTEKDLFCVCQTJA-YADARESESA-N 484.578 2.293 30 10 JEEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(C[S@](C)=O)cc1 1300512717 SIFSJIYZJDJQNQ-BNHRFMORSA-N 454.596 2.318 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1300570168 YEYDHHVIZQHUQF-IBGZPJMESA-N 485.610 2.097 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H]1CCCCS1(=O)=O 1300579495 SGRAEWRKOBJVKY-QGZVFWFLSA-N 464.551 2.024 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC[C@H]1COCCO1 1300618617 JVTMMMGUMOHLKE-SFHVURJKSA-N 450.543 2.330 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H]2CCCSC2)CC1 1300710597 IALHWXLTNCEFOO-QGZVFWFLSA-N 460.648 2.306 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCc2cn[nH]c2)CC1 1300717111 YQJWSFOIPTUXGT-KRWDZBQOSA-N 465.533 2.489 30 10 JEEE C#CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CCCN(C(C)=O)CC1 1300741537 ZAONZWVVVLBWQP-UHFFFAOYSA-N 465.421 2.471 30 10 JEEE C=C(Br)Cn1c(CC2CC2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1300853169 LAMOFQXWQTUTEJ-KBXCAEBGSA-N 451.413 2.128 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccnc(SC)c1 1300916193 UNKAICZYMVCDDE-QGZVFWFLSA-N 466.633 2.179 30 10 JEEE C=C(Cl)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1301043713 BXZAJNULUOUYGB-WMLDXEAASA-N 453.952 2.061 30 10 JEEE C=CCn1c(-c2cc(Br)cn2C)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1301434418 QBDUUINUYADYRH-MRXNPFEDSA-N 476.423 2.365 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCC(=O)N(C)C)C1 1301566739 BTQFNAGPMNSHPO-FGTMMUONSA-N 462.595 2.308 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(C(C)C)CC1 1301593143 JMSFMAUQYYYRBY-UHFFFAOYSA-N 472.615 2.250 30 10 JEEE CNC(=O)[C@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCCO[C@@H](C)C2)C1 1314960467 COQQLGQPUZDADC-UQBPGWFLSA-N 465.602 2.280 30 10 JEEE COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2CCN(CCN(C)C)CC2)C[C@H](C)O1 1315930401 HKQPIUJARKUPBQ-GBXCKJPGSA-N 481.645 2.330 30 10 JEEE C#CCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1358907679 XKYMJHSXLMXSPU-UHFFFAOYSA-N 479.566 2.260 30 10 JEEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1358919688 HXDNQYZVYSWIBE-JOCHJYFZSA-N 476.002 2.290 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC[S@@](=O)CC)[C@H]1CCS(=O)(=O)C1 1358957629 XNLNMQPSAHTOTI-WCMFBIDSSA-N 499.058 2.467 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1358967730 QRWFZIJCGPTJFW-IPMKNSEASA-N 493.630 2.156 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2CCCn2cccn2)CC1 1359047319 BDKJHAICGYLGNQ-UHFFFAOYSA-N 465.533 2.249 30 10 JEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2cc(Cl)ccc2C1 1359049405 OHLJOXZZBMLWPJ-AWEZNQCLSA-N 454.021 2.471 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)CC(C)(C)CN1CCOCC1 1359089102 BIKBAZNPLLSEEU-LEWJYISDSA-N 474.650 2.290 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1359092890 HILKIMSFZUOIHY-TYPHKJRUSA-N 475.615 2.453 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](c2ccccc2OC)C1 1359122045 UUPDFNNUSMVDFI-PXNSSMCTSA-N 461.588 2.190 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1NC(=O)CC1(C)C 1359259935 NDZGNMGWQOEAEH-MAUKXSAKSA-N 478.594 2.135 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(CCOc2ccccc2)CC1 1359299788 NKNHWCYLXPJWTJ-OAQYLSRUSA-N 454.575 2.023 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1359301601 DDVTZYBICQNJPB-UHFFFAOYSA-N 482.482 2.205 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1359305680 KKGTWNSZYIXTJO-FBBABVLZSA-N 455.607 2.301 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2CC2(C(N)=O)CCOCC2)C1 1359312907 CKOSXBIQBWFFOW-MRXNPFEDSA-N 493.406 2.110 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(c2nccs2)CC1 1359336159 HAOOOADZDSXIKG-ROUUACIJSA-N 481.644 2.443 30 10 JEEE COc1cc(OC)cc(N2CC[C@H](NC(=O)N3CCO[C@@H](c4cccc(C#N)c4)C3)C2=O)c1 1469235388 FLHYNAJMRNTAKD-FCHUYYIVSA-N 450.495 2.464 30 10 JEEE CS(=O)(=O)c1ccc(S(=O)(=O)N2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)cc1 1475256502 AIKUGABVPWKSDB-IBGZPJMESA-N 453.973 2.315 30 10 JEEE C#CCCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(S(C)(=O)=O)CC1 1507561614 RFPRSNUTYRWWEL-IBGZPJMESA-N 494.662 2.278 30 10 JEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)N(C)C1CCCCC1 1507616923 PPQNUKKJLOTZHI-IBGZPJMESA-N 474.606 2.447 30 10 JEEE C#CCN(C)c1nnc(COc2cc(C)ccc2C)n1CCCN1CCC[C@H]1C(=O)N(C)C 1507618596 QCJLGFJNSWBOKD-NRFANRHFSA-N 452.603 2.486 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccccc1OCC(C)C)[C@@H]1CCS(=O)(=O)C1 1507633702 UQZOVAZFBPZZLR-LEWJYISDSA-N 472.611 2.492 30 10 JEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1C[C@H]1CC=CCO1)[C@@H]1CCS(=O)(=O)C1 1507634645 OKXYGDRPMKPVDW-WOJBJXKFSA-N 460.987 2.494 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1ccccc1COCC)[C@H]1CCS(=O)(=O)C1 1507635737 UYJKEJRMNVGLLN-QHCPKHFHSA-N 479.606 2.475 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccccc2F)n1C[C@@H](N1CCOCC1)C(F)(F)F 1507655464 HSHAZLZMXVOTNU-LJQANCHMSA-N 465.451 2.332 30 10 JEEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(N2CCOCC2)c(F)c1 1507656312 FXWIZFNLKCPYTH-UHFFFAOYSA-N 461.545 2.237 30 10 JEEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OC)c(Br)c1 1507679728 PSDYLHDDQJLJIV-ZDUSSCGKSA-N 470.393 2.167 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCCOC3)n2C[C@@H]2CCOC[C@@H]2C)n1 1507715765 CMKIOVSXXJAUMJ-PCCBWWKXSA-N 456.591 2.327 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1507735575 YQGLIPDFJNNULG-QGZVFWFLSA-N 490.029 2.389 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H](C)N1CCN(CC)CC1 1507762417 YWWVICKMWKODNG-NQHRYMMQSA-N 458.651 2.337 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)N(C)C(=O)OC(C)(C)C 1507765551 SWIVJKNVGLEREZ-GCKMJXCFSA-N 468.624 2.136 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)C1CCCC1 1507797533 LWRCWROFQXHIAJ-RLLQIKCJSA-N 467.636 2.361 30 10 JEEE C=C(C)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1507829950 MHTNLAKFDCXFKC-INIZCTEOSA-N 456.572 2.435 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCCN(CC(C)C)C2)CC1 1507902514 KGOKJKPGVGHXQS-VXKWHMMOSA-N 494.706 2.381 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@@H](n2cncn2)C1 1508095565 XTRYGUUXCFLYPS-QGZVFWFLSA-N 456.938 2.246 30 10 JEEE C=CCSCCn1c(-c2ccccn2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1508153698 OXWQIZUNOSIQTB-OAQYLSRUSA-N 471.675 2.491 30 10 JEEE C[C@H](Cn1c(-c2ccc(F)cc2Br)nnc1N1CCO[C@@H](C#N)C1)N1CCOCC1 1510023825 DDHFMGYSFILKBK-ZBFHGGJFSA-N 479.354 2.296 30 10 JEEE CC[C@H](C)[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2C#N)CC1)OC 1512759812 HDGRMCODXUGUDN-FBBABVLZSA-N 451.575 2.489 30 10 JEEE CCC(O)(CC)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1513512253 HALDAMWCKRMGMU-QGZVFWFLSA-N 490.630 2.359 30 10 JEEE COCC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCO[C@@H](C)C2)CC1 1518656895 DIDFTHIJKBBXIL-HKUYNNGSSA-N 452.559 2.363 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCn1cc(Br)cn1 1538976331 KORJTLXSIPRYAR-DNVCBOLYSA-N 451.369 2.436 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1ccc(OCCOC)cc1)[C@@H]1CCS(=O)(=O)C1 1539210675 FRMITKMQIVJIND-HXUWFJFHSA-N 481.578 2.040 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1CCN1CCCC(C)(C)C1)[C@H]1CCS(=O)(=O)C1 1539211503 MSUPNAAYDKHRBO-IBGZPJMESA-N 458.632 2.032 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H](C(C)C)N1CCOCC1 1539283877 CMFLDVRQEXLLTE-BDTNDASRSA-N 484.645 2.478 30 10 JEEE C=CCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCC(OCC(N)=O)CC1 1540855927 GHGMFBCGCFWMDK-UHFFFAOYSA-N 450.337 2.373 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1540866161 FASGJLNIHMFKIV-HNNXBMFYSA-N 482.507 2.337 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(NC(C)C)CC1 1540899628 VTDQSDNDHNYYGJ-UHFFFAOYSA-N 462.576 2.421 30 10 JEEE COc1ncccc1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(C(C)=O)CC1 1555127611 DDXSXYACDCYFEG-UHFFFAOYSA-N 461.526 2.239 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)N(C)CCCN2C(=O)c3ccccc3C2=O)ccc1F 1585654999 IUQZYYKFLZXVJZ-UHFFFAOYSA-N 459.499 2.048 30 10 JEEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(C(=O)OCC)CC1 1587856280 ITOPXFOJDGMPRW-UHFFFAOYSA-N 452.563 2.144 30 10 JEEE C#CCCCn1c(N2CCC(N(C)S(C)(=O)=O)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1587893599 GAMRIZPLIZFCQC-HDICACEKSA-N 494.662 2.322 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CC(=O)N(C)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1588041530 XINDBHHFIUKRCF-JOCHJYFZSA-N 494.621 2.235 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CC(C)(C)CN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1588055533 XGSROAXLXVUXIF-WOJBJXKFSA-N 463.648 2.268 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CC2(O)CCCCCC2)CC1 1588947179 MBBNLZIOYFWNHB-UHFFFAOYSA-N 450.587 2.315 30 10 JEEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1589007291 LBJMZLOLCYNCHP-UHFFFAOYSA-N 478.600 2.080 30 10 JEEE C#CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](COC)C1 1589070667 VXHPKQRHSOVMIP-ZWKOTPCHSA-N 465.620 2.426 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(CC(=O)NCC)CC1 1589514532 HAHWPKLNVHJLSI-NFBKMPQASA-N 468.602 2.193 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CCc2ccccc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1589556144 AFIKWBXDZYLKNN-BLRYILKCSA-N 454.571 2.405 30 10 JEEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1594520949 HLXIKWJUSCYYOJ-UHFFFAOYSA-N 465.606 2.243 30 10 JEEE C=CCCCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1594646088 UKDRQKZYNBFXKB-WMZHIEFXSA-N 468.650 2.485 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCC[C@@H]2NC(=O)NC2=O)C1 1595699089 BMGGZEOAVHKHEB-RDJZCZTQSA-N 474.949 2.377 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(C(=O)OCC)CC1 1595773035 NEYLAOJRQNWPCD-UHFFFAOYSA-N 498.005 2.486 30 10 JEEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2csc(C)n2)CC1 1596249679 HLCBYSQMSFSMGP-UHFFFAOYSA-N 451.556 2.405 30 10 JEEE Cc1nn(C)c(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)c2)c1C#N 1617078816 HSQVHWDCFQERMI-TXEJJXNPSA-N 451.936 2.304 30 10 JEEE C#CCNS(=O)(=O)c1cccc(C(=O)NCc2csc(NC(=O)OC(C)(C)C)n2)c1 1648448983 QMIIHUGPDXPYIM-UHFFFAOYSA-N 450.542 2.332 30 10 JEEE N#Cc1cc(F)c(S(=O)(=O)NCC(=O)N2CCN(c3cccc(Cl)c3)CC2)c(F)c1 1667094541 GPMFOBYEWQPDHD-UHFFFAOYSA-N 454.886 2.117 30 10 JEEE CCN(CC)S(=O)(=O)c1ccc(CNC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1 1675874419 GZBCTLCZAKKRJS-IBGZPJMESA-N 457.556 2.347 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1OC1CCCC1 1689853762 YDSMBSQFOYRUCZ-GCJKJVERSA-N 487.626 2.439 30 10 JEEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1CC[C@@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1689980462 SKQCQMRRZQPEIW-BHDDXSALSA-N 472.611 2.252 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@H](C)N(C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1689992228 INNZIPXFUPGRSQ-URXFXBBRSA-N 492.649 2.411 30 10 JEEE C#CCN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccc(C(N)=O)nc1 1690087187 NQDUQQOLBQRYNQ-CALCHBBNSA-N 453.547 2.051 30 10 JEEE C#CCN1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCSCC=C)CC1 1690124096 FFUPWTAXULPTED-UHFFFAOYSA-N 452.632 2.127 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2CC(C)(C)C(=O)NCC)CC1 1690152675 UJGJDPNWLSRCSF-UHFFFAOYSA-N 480.613 2.294 30 10 JEEE C#CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1690165701 HKYVJGWPBFMCLX-UHFFFAOYSA-N 484.626 2.031 30 10 JEEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 1690506706 YSWYZZAJRKRTKF-UHFFFAOYSA-N 453.522 2.373 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1690663493 YGQYOYPKJWJJAJ-SFHVURJKSA-N 451.531 2.222 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(c2ccc(C(C)=O)cc2F)CC1 1690667915 MHQSMNCUWVJRDU-UHFFFAOYSA-N 465.533 2.254 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCCN(c2ncccc2F)CC1 1690675862 HVRYIXICQPPFSE-UHFFFAOYSA-N 495.559 2.419 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1690720474 KIAMLJPWEYJFRQ-SFHVURJKSA-N 466.629 2.258 30 10 JEEE CN(CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](Cn2cccn2)C1)CC(F)(F)F 1696811120 CRYFWCZNAIWDJH-LJQANCHMSA-N 474.491 2.413 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CCCC3)n2CC2(C(N)=O)CCOCC2)c1 1705508148 QMVLOLCAVOXDCM-UHFFFAOYSA-N 478.597 2.349 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1CCO[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1705570798 RBSZXJOHVAJYGE-FBBABVLZSA-N 460.575 2.450 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2c(CC)noc2C)CC1 1705651126 KTYHZXLSACCYRQ-UHFFFAOYSA-N 495.609 2.143 30 10 JEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)c2ccc(F)cc2)CC1 1705651660 FGFCBFSJULBTHC-MRXNPFEDSA-N 493.630 2.493 30 10 JEEE C#CCSCCn1c(COc2ccc(C)cc2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1705665771 DBIMHWQJQXPDSI-NRFANRHFSA-N 482.610 2.299 30 10 JEEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C[C@H]2CCCO2)CC1 1705725435 AGMZFBCONUNVFZ-WOJBJXKFSA-N 476.622 2.464 30 10 JEEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1705823046 ZMAZRPAQPZGOJO-LJQANCHMSA-N 457.648 2.452 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC[C@@H]1COCCO1 1705885596 XVRJOBNHBYORKD-RTBURBONSA-N 481.594 2.031 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1705905488 XGKBEHVJMVUOCM-LJQANCHMSA-N 455.950 2.136 30 10 JEEE C=CCNC(=O)Cn1c(N2CCO[C@@H](c3ccc(CC)cc3)C2)nnc1[C@]1(OCC)CCOC1 1705909334 UDOYEQNOKOKNSR-BWKNWUBXSA-N 469.586 2.373 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC2(CC1)CNC(=O)C2 1705934943 BMWBOBOCKFCCEC-UHFFFAOYSA-N 478.018 2.230 30 10 JEEE CC(C)N(C)CCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2C#N)CC1 1706550011 GAWRUKBQNJASAH-HXUWFJFHSA-N 450.591 2.158 30 10 JEEE CCCNC(=O)CCn1c(COc2ccc(Br)cc2)nnc1N1CCO[C@H](C#N)C1 1709835758 CNMYWEXOOARYTE-QGZVFWFLSA-N 477.363 2.265 30 10 JEEE CNC(=O)[C@@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C(C)C)N2CCOCC2)C1 1711317300 AUWOQOTYUSTLIQ-BWKNWUBXSA-N 465.602 2.136 30 10 JEEE CS(=O)(=O)[C@@H]1CCCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCO2)C1 1712688713 BJYLCEQHDAFCHG-WOJBJXKFSA-N 459.572 2.311 30 10 JEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 1722316072 ARVCYIGBGQSURS-NHCUHLMSSA-N 489.646 2.069 30 10 JEEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H](C)CS(=O)(=O)CC 1722332385 KBBPTDJMWSHNCP-MSOLQXFVSA-N 483.635 2.259 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCC[C@@H]1OC)[C@@H]1CCS(=O)(=O)C1 1722361199 FPKAJPQWVMMFIA-KSZLIROESA-N 463.991 2.435 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1(S(C)(=O)=O)CCC1 1722402050 ODTXGDIOGMVCEO-KDURUIRLSA-N 489.642 2.479 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccc(NC(=O)CC(C)C)c2)CC1 1722437378 SIGGSSASERGYCS-NRFANRHFSA-N 463.586 2.017 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCCN1CCC 1722449988 XFMKQZYUWCNVCP-IBGZPJMESA-N 463.586 2.152 30 10 JEEE C#CCSCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1722453852 DYQAQPSLTXFYAQ-HNNXBMFYSA-N 459.572 2.004 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N(C)Cc1ccc(C(=O)NC)cc1 1722500583 CHMIZDQUTXLNJS-OFNKIYASSA-N 466.586 2.378 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)c1nccs1 1722517104 HCTCLFNPPNWLLV-HZPDHXFCSA-N 454.622 2.274 30 10 JEEE C=CCCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCS(=O)CC1 1722600930 RRHVCFQSAWVGSQ-UHFFFAOYSA-N 450.634 2.472 30 10 JEEE C=CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N(C)CC(=O)N1CCOCC1 1722614398 MCVPUFCXTJJMFE-UHFFFAOYSA-N 479.585 2.326 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(C)on1 1722655421 MBJOMSMYOYGMEU-INIZCTEOSA-N 455.544 2.297 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CC[C@](C)(C(=O)NC)C1 1722725999 WPJWWMSKXQYUGO-FQEVSTJZSA-N 451.980 2.162 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OC)cc1C(F)(F)F 1740533989 WCWVVUFJJUPTOL-CHWSQXEVSA-N 459.494 2.422 30 10 JEEE C#CCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1740594297 HYFUUTFHIVLYRT-ISKFKSNPSA-N 466.630 2.296 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccn(Cc2ccccc2)n1)[C@@H]1CCS(=O)(=O)C1 1740615364 BUXWRXWQMVRPEP-OAQYLSRUSA-N 466.611 2.495 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CC1CCC(OC)CC1)[C@H]1CCS(=O)(=O)C1 1740627858 SWAMSAJKDHCRNI-ZUPWUQBJSA-N 450.605 2.352 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCC(=O)N1CCCCC1 1740638832 OLJTYKKOYHQDPL-UHFFFAOYSA-N 471.565 2.150 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1C[C@@H](C)O[C@H](C)C1 1740680738 MQYAWCFXXBAWJR-RTBURBONSA-N 489.642 2.485 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCc2csc(CC)n2)CC1 1740703534 WEZOYBNTIYZYDF-DEOSSOPVSA-N 486.642 2.158 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C2CC(C(C)(C)C)C2)CC1 1740706513 ZOZVICDKXAZHIX-LMDPOFIKSA-N 461.632 2.143 30 10 JEEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@H]1CCCc2c1cnn2C 1740738071 CUXASZBFPFABMP-OCCSQVGLSA-N 472.413 2.044 30 10 JEEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1740739558 VMQIZQINNWNZRA-IRXDYDNUSA-N 458.401 2.069 30 10 JEEE C=CCOc1ccccc1Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1740969305 MUVBPXYMOSSGFN-IBGZPJMESA-N 456.572 2.305 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCOC2CCCCCC2)C1 1740981421 OSHHMVBKGODUJO-RTWAWAEBSA-N 497.662 2.132 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1740989897 ZXOFWXBPQGBXKE-UHFFFAOYSA-N 470.599 2.473 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(C[S@](C)=O)cc1 1741123484 DEESDZBJPWNBEU-KNTRGWTASA-N 451.556 2.448 30 10 JEEE Cc1cc(C)n(Cc2nnc(N3CC[C@](F)(C#N)C3)n2CC(C)(C)N2C[C@H](C)O[C@H](C)C2)n1 1742699007 CJWSGHNIGJMENQ-YYDVJCTNSA-N 458.586 2.470 30 10 JEEE CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1745879978 FLFMBYVFCNJZJR-UHFFFAOYSA-N 464.574 2.023 30 10 JEEE CCO[C@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@H]2CN(CC(C)C)CCO2)CCOC1 1746710555 ICLMTEKYNIAWLU-AGILITTLSA-N 460.623 2.417 30 10 JEEE CNC(=O)[C@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(N(C)C)CCSC2)C1 1748129390 AOCSJLMDSKLNJZ-PKTZIBPZSA-N 453.616 2.216 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCN(CC)C1)[C@@H]1CCS(=O)(=O)C1 1748805287 PXJRLPLUUPMYSB-DOTOQJQBSA-N 495.447 2.004 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCCc1c[nH]nc1C)[C@@H]1CCS(=O)(=O)C1 1748809426 MWYMFDUDXGGAMU-HXUWFJFHSA-N 468.583 2.245 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1CCC(=O)N1CCCCCC1)[C@@H]1CCS(=O)(=O)C1 1748811875 NBGMKGJNDTXBRS-HXUWFJFHSA-N 499.637 2.373 30 10 JEEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1Cc1nnc2n1CCC2 1748847954 ZFRVFOPSNGBQQB-UHFFFAOYSA-N 464.574 2.051 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCN(CC)C1 1748881125 CLELFAAMUGSTJL-HXUWFJFHSA-N 468.627 2.000 30 10 JEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc2cnccc2c1 1749023466 SJVIQQZZRHRFQT-INIZCTEOSA-N 458.613 2.439 30 10 JEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1749034037 VAUYZQKRYDZIMF-BBWFWOEESA-N 462.620 2.335 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1749129469 DQBBTGWKMZTXFI-VLHNPEIBSA-N 458.651 2.447 30 10 JEEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 1749222159 AKLZVOYINISKBW-IFMALSPDSA-N 484.649 2.088 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCN2CCCC[C@@H]2CC)CC1 1749303691 NIOKZWXGZCTSFM-VQTJNVASSA-N 466.652 2.032 30 10 JEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCC(=O)N2CCCCCC2)CC1 1749328645 ACSZWAASCBEWAF-KRWDZBQOSA-N 452.625 2.083 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1nnc(C)s1 1749532659 ZHNVBIOHJVKJTF-CQSZACIVSA-N 472.600 2.161 30 10 JEEE C=CCn1c(CC2CCCC2)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1749638148 ZGEMBLQHBOJDAH-KURKYZTESA-N 465.620 2.323 30 10 JEEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)[C@@H](C)c1cccc(O)c1 1749667278 WYBATASLDJHEPN-INIZCTEOSA-N 483.598 2.443 30 10 JEEE C=CCSCCn1c(-c2cccnc2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1749751554 YSDDCWJBFYQADC-UHFFFAOYSA-N 455.632 2.394 30 10 JEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CCC(C)CC2)CC1 1760136660 AYSZWXHTXSMXLV-LZBANZJXSA-N 492.690 2.115 30 10 JEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc(OCC)n2)CC1 1760138311 WHOKCYFZDIUQAT-IBGZPJMESA-N 472.615 2.104 30 10 JEEE C#CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CCS(C)(=O)=O)C1CC1 1760138958 NJRYDJGRWIFAMA-IBGZPJMESA-N 495.646 2.403 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@@]1(N(C)C)CCSC1)[C@H]1CCS(=O)(=O)C1 1760192117 QYEZFVXMTXVZKZ-URXFXBBRSA-N 487.695 2.127 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(OC)c(Br)c2)CC1 1760260391 ZXOVVPQQTCUMJM-QGZVFWFLSA-N 460.376 2.357 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCc2cccc(C(=O)N(C)C)c2)CC1 1760268370 QTRRQQTXXDUHES-UHFFFAOYSA-N 485.592 2.250 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1760357238 HCXOVVYUVGSPNK-IRXDYDNUSA-N 467.617 2.116 30 10 JEEE C=C(Cl)Cn1c(-c2cnccn2)nnc1N1C[C@@H](C(=O)OC)[C@H](CNC(=O)OC(C)(C)C)C1 1760372663 QVVKQBOUSGAQJB-HUUCEWRRSA-N 477.953 2.238 30 10 JEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 1760432221 HLRCQOFVWJQXFF-IRXDYDNUSA-N 454.641 2.233 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCN2CCOC[C@@H]2C1 1760519520 HGNNMXIKPNNBSN-NRFANRHFSA-N 468.602 2.193 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1760524464 YJCJTUGRFJFMMO-FQEVSTJZSA-N 453.522 2.159 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CC[C@]2(CCC(=O)N2)C1 1760526643 QWSLYDWKGFSLQB-RUZDIDTESA-N 466.586 2.450 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1760534160 ZTUPHIQQWSZBDB-LJQANCHMSA-N 481.601 2.472 30 10 JEEE CC(=O)N[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@](C)(O)c2ccco2)C1 1760643673 BMWDOYCVNIOPPW-DVECYGJZSA-N 464.526 2.334 30 10 JEEE CC(C)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@H]1CCCS(=O)(=O)C1 1760934925 CDFSLWQMWYTJCV-OAQYLSRUSA-N 456.616 2.420 30 10 JEEE CCNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1ncnn1CC(F)F 1767171303 BBYPFNZMGJOMLM-UHFFFAOYSA-N 471.516 2.472 30 10 JEEE CS(=O)(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCCN(CC(F)(F)F)CC1 1770330331 GXQRYFGUOQHIMX-UHFFFAOYSA-N 470.521 2.326 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)COc2cccnc2NC(=O)N2CCOCC2)nc1C 1858815097 AZNYIXYUPHMWMJ-UHFFFAOYSA-N 461.500 2.071 30 10 JEEE CC(=O)N(CCN)C(=O)[C@@H](NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)c1ccccc1 1868794841 GZXXCSOXNAPAFN-IRLDBZIGSA-N 467.595 2.216 30 10 JEEE C#CCOCCCNC(=O)c1cc(I)cc(I)c1O 2139456014 FQMLWVFZSKPQEU-UHFFFAOYSA-N 485.059 2.371 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)S(=O)(=O)C(C)(C)C1 2197738685 FGVYWOZREYYSIE-PMACEKPBSA-N 490.626 2.036 30 10 JEEE CC1(C)OB(c2ccc(S(=O)(=O)N(CCC(N)=O)Cc3ccccc3)s2)OC1(C)C 2247880190 CIBWMULTRWQLRG-UHFFFAOYSA-N 450.391 2.114 30 10 JEEE CC1(C)OB(c2nscc2C(=O)N[C@H]2COCCN(C(=O)OCc3ccccc3)C2)OC1(C)C 2255635005 DARLYCQGPLGMIB-QGZVFWFLSA-N 487.387 2.210 30 10 JEEE CC1(C)OB(c2cnsc2C(=O)N[C@H]2COCCN(C(=O)OCc3ccccc3)C2)OC1(C)C 2255844403 WHNGRKDXJBHHNA-QGZVFWFLSA-N 487.387 2.210 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(CNC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)O)s1 2256626041 FICITOZCQJKFQF-CZUORRHYSA-N 454.398 2.246 30 10 JEEE CO[C@@H]1C[C@@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)s2)N(C(=O)OC(C)(C)C)C1 2256629175 QVGAJWXBBWMGHG-OLZOCXBDSA-N 453.370 2.405 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](CNC(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)CO1 2267558937 JCQXFWNEFQWLBD-HUUCEWRRSA-N 450.341 2.238 30 10 JEEE CC(C)(C)OC(=O)NOCCCNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2267707872 ZJLHZDTWVPNCCI-UHFFFAOYSA-N 474.360 2.250 30 10 JEEE Cn1cc(C(=O)N2CCC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)c(B2OC(C)(C)C(C)(C)O2)n1 2281975739 RAHGRMKRPGORQH-WBVHZDCISA-N 460.384 2.191 30 10 JEEE Cc1nn(C)c(C(=O)NC2(C3CN(C(=O)OC(C)(C)C)C3)CC2)c1B1OC(C)(C)C(C)(C)O1 2281983413 UCGAKJFPMRJZLO-UHFFFAOYSA-N 460.384 2.157 30 10 JEEE Cc1c(C(=O)N2CC[C@@]3(CCN3C(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282569523 STSQGVFHLSCHPD-HSZRJFAPSA-N 460.384 2.253 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCCN(C(=O)OC(C)(C)C)C[C@H]1C 2282589004 XZPRYVMVDPIZCJ-OAHLLOKOSA-N 462.400 2.499 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2[C@H]3C[C@@H]3CN2C(=O)OC(C)(C)C)n1 2282596593 CHMNWIUKADSWBB-HLLBOEOZSA-N 460.384 2.187 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)C[C@H]1CCO 2282648273 MEKKJIOHLPECQD-QGZVFWFLSA-N 460.380 2.430 30 10 JEEE C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cn2C)CCO1 2282683525 FDDQKYZUHQGBJB-CRAIPNDOSA-N 463.384 2.079 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 2282692141 TXMRNLZXQKTWKD-KRWDZBQOSA-N 463.384 2.173 30 10 JEEE Cc1cc(S(=O)(=O)N2C[C@@H](NC(=O)C(F)(F)F)C[C@@H](C)C2)sc1B1OC(C)(C)C(C)(C)O1 2282834295 RSAQMLHYCOKXEG-YPMHNXCESA-N 496.382 2.433 30 10 JEEE CN(C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)[C@H](CNC(=O)OC(C)(C)C)C(F)(F)F 2283061624 MLJWQCAXOHMQDH-GFCCVEGCSA-N 474.289 2.303 30 10 JEEE CN(Cc1ccccc1B1OC(C)(C)C(C)(C)O1)C(=O)C1(NC(=O)OC(C)(C)C)CC(O)C1 2284058210 JNDKJXMFELWTLB-UHFFFAOYSA-N 460.380 2.362 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C(=O)O)N(c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2284355512 CVBJYWJGPOTOOC-GDBMZVCRSA-N 465.331 2.467 30 10 JEEE C[C@@H](OCc1ccccc1)[C@@H](NS(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)O 2284416679 ATGHLFIZRONQNO-OXQOHEQNSA-N 475.372 2.323 30 10 JEEE CCOc1cc(C=Nn2c(CNC(C)=O)nnc2SCC(=O)Nc2nccs2)ccc1O 2330748370 BXZBYTFMNGKVJQ-UHFFFAOYSA-N 475.556 2.088 30 10 JEEE CC(C)(C)OC(=O)N1CC(OCCCN=c2cc(B3OC(C)(C)C(C)(C)O3)c(F)c[nH]2)C1 2345740696 HOBURZQAPXKDAA-UHFFFAOYSA-N 451.348 2.380 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C(C)(C)C1 2362353758 MRZHKGPTYVDABX-HNNXBMFYSA-N 462.400 2.485 30 10 JEEE COC(=O)c1ccc(/C=N/Nc2nnc(SCCC(=O)Nc3ccccc3OC)n2N)cc1 20914027 KGIABQJUGHXHHR-YDZHTSKRSA-N 469.527 2.354 30 10 JEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CC(=O)N(c3cccc(OC)c3)C2)cc1 513985460 OUFVHPIDAJECFR-KRWDZBQOSA-N 458.540 2.429 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(C(=O)c4ccc([N+](=O)[O-])s4)CC3)cc2C1=O 603663805 CLRUUKKRCKYALA-UHFFFAOYSA-N 454.464 2.037 30 10 JEEE CC1(C)OB(c2cc(OC3CCCCC3)ccc2S(=O)(=O)N2CCNCC2)OC1(C)C 725432501 IRNJHXIIDHRHDP-UHFFFAOYSA-N 450.410 2.291 30 10 JEEE C#CC[C@@H](NC(=O)[C@@H](CCN(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 757565519 YJXZORXFRJHJMR-DHIUTWEWSA-N 463.534 2.438 30 10 JEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cc3cccc(OC)c3o2)c(=O)n1-c1ccccc1C#N 917797132 BPOYAASTCHFPSK-UHFFFAOYSA-N 482.521 2.331 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1286395633 SIFJJVAKDNHPQH-IPMKNSEASA-N 495.646 2.054 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1CCN(C(C)=O)CC1 1286409080 OIRHTOUBMKDNOM-UHFFFAOYSA-N 471.565 2.006 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCN1CCCC1 1286421062 MLELBMLVMKBVIG-UHFFFAOYSA-N 468.627 2.144 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1286557240 HSXUOZKHGGBFSU-FXALBQAHSA-N 476.524 2.489 30 10 JEEE C=C(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1286588999 PXUWIOZZFNMTCJ-MRXNPFEDSA-N 452.519 2.070 30 10 JEEE C=CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCN1CCOC[C@H]1C 1286722141 DVTMQROGXVBPFO-GOSISDBHSA-N 451.575 2.408 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCSc1ccc(C)cc1 1286726096 AYUGXOAGVRMERD-SFHVURJKSA-N 451.618 2.334 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(=O)N2CCCC2)n1CCN1CCOC[C@H]1C 1286739164 RFACTQIUSQWVSJ-HXUWFJFHSA-N 468.602 2.436 30 10 JEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CC(F)(F)F)CC1 1286776140 FTGQXMJGVMMXHX-HNNXBMFYSA-N 460.501 2.457 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Br)s3)n2Cc2nnn(C)n2)C1 1286802057 MVAWCWOTCGVJSK-LLVKDONJSA-N 451.354 2.122 30 10 JEEE CC1CCN(CCn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CCO[C@@H](C#N)C2)CC1 1291183681 BASRXFKPCPXKCM-FQEVSTJZSA-N 471.993 2.322 30 10 JEEE CCC[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1293804424 FDEJUBIVCIOHEC-PXDATVDWSA-N 465.602 2.111 30 10 JEEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H](C)CN1CCN(CC)CC1 1300455477 KLONVZHCSPCFGB-HXUWFJFHSA-N 476.629 2.018 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(F)c(C)c1)[C@@H]1CCS(=O)(=O)C1 1300479079 IAJZMZVUBTUMIS-GOSISDBHSA-N 482.541 2.048 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](CC)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1300482808 HVDIICNMGCOCRA-YADHBBJMSA-N 466.611 2.318 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@]1(C)COCCO1 1300665798 OEKPQNNTOMOQGY-CYFREDJKSA-N 477.606 2.284 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2CCn2cc(Br)cn2)CC1 1300710172 VIHNHMQZHNFFPC-UHFFFAOYSA-N 488.365 2.411 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CCCCN2CCC)CC1 1300729369 XNILNIVORNYCLG-HSZRJFAPSA-N 480.661 2.370 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(CO)CC1 1300867958 ALGYIGUQYWYAMT-RBBKRZOGSA-N 489.642 2.385 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCOC2)n1CCN1CCN(C(C)=O)CC1 1301338955 APJDOBBDSBECLV-QHCPKHFHSA-N 463.586 2.010 30 10 JEEE COCCN1C[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(C(C)(C)C)CC2)CC1=O 1301860173 IBSQVYCQNLXOLN-FQEVSTJZSA-N 465.602 2.232 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@H]1CCOC[C@@H]1C 1303407545 GFBJFSTZYZFDSO-SIKLNZKXSA-N 465.602 2.283 30 10 JEEE CC(C)NC(=O)CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](C(C)C)N1CCOCC1 1303435866 GIIFQILOOOXMSV-NRFANRHFSA-N 453.591 2.134 30 10 JEEE CC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCN(CC)CC2)CCO1 1306448025 DFWAAMLHAMBRGC-QFIPXVFZSA-N 467.618 2.372 30 10 JEEE N#Cc1ccc(CN(c2nnc(-c3cnccn3)n2CC(=O)NCC(F)(F)F)C2CC2)cc1 1316529442 CGEKFROGCZYWRN-UHFFFAOYSA-N 456.432 2.454 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H]1CN(CC(C)C)CCO1 1358885381 JAAMMIWKBSGKLC-WOJBJXKFSA-N 477.613 2.490 30 10 JEEE C#CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(NS(C)(=O)=O)CC1 1358905708 IZDXNBPHOHPZHN-UHFFFAOYSA-N 469.409 2.357 30 10 JEEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@H](C(=O)OC)C1 1358906395 HAHXKXPIFNYXQE-IBGZPJMESA-N 473.599 2.388 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H](CC)OC)[C@H]1CCS(=O)(=O)C1 1358959178 DCTIZUQADRGFQU-ROUUACIJSA-N 462.572 2.014 30 10 JEEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1Cc1c(C)nn(C)c1C)[C@H]1CCS(=O)(=O)C1 1358966854 YACLCTFYNSCJNM-NRFANRHFSA-N 496.637 2.499 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCNc1ncc(Cl)cc1Cl 1359018562 UUHVRKNGTMZFIX-UHFFFAOYSA-N 466.373 2.414 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCOc2ccc(F)c(F)c2)CC1 1359029253 SBVIQTJMWADGSS-UHFFFAOYSA-N 467.480 2.038 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCOc2ccc(C)cc2)CC1 1359030683 BMFIRKMSHXJGGX-VWLOTQADSA-N 453.587 2.461 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2C[C@@]2(O)CCOC2)CC1 1359031406 AKJOVYFQTJNXFB-FQEVSTJZSA-N 480.794 2.268 30 10 JEEE C=C(C)Cn1c(-c2ccccc2Br)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1359120154 LLADIBMNSONXKR-UHFFFAOYSA-N 475.391 2.457 30 10 JEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)CC1 1359159080 MVYWFGXJCRQHQM-CVEARBPZSA-N 456.613 2.300 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCC[C@@H](OCC)C1 1359299195 YDCYGQWABCLWKB-GOSISDBHSA-N 479.585 2.373 30 10 JEEE C=CCOc1ccc(Cn2c(COCC)nnc2N2CCC([C@H]3NC(=O)N(C)C3=O)CC2)cc1 1359308020 APZSSGHVARQCEV-OAQYLSRUSA-N 468.558 2.194 30 10 JEEE C=CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(NS(C)(=O)=O)CC1 1359340015 YFGIKLDDYFBIMG-UHFFFAOYSA-N 479.628 2.154 30 10 JEEE C=C[C@@H](CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1)c1ccccc1 1435136590 MXDOCKKBNXZJHW-KRWDZBQOSA-N 455.536 2.210 30 10 JEEE N#CCC1(CNC(=O)c2cc(S(=O)(=O)NC[C@H]3CCCO3)ccc2Br)CC1 1448733740 FMAIYBKXLXZPGG-CYBMUJFWSA-N 456.362 2.330 30 10 JEEE C#CCN(C(=O)Nc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1)[C@@H]1CCS(=O)(=O)C1 1476007285 YLVRTXGLEZWBSH-QGZVFWFLSA-N 450.513 2.313 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1(COC)CCOCC1 1507528355 MHQPHSCOEDHAIC-KRWDZBQOSA-N 460.604 2.139 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CC[C@]2(CCOC2)O1 1507539240 SVUFAHPDIUHLFH-GSRZOBFVSA-N 475.590 2.383 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2Cc2ccc(NC(=O)N(C)C)cc2)CC1 1507737022 XXERMPNDWVBUAB-UHFFFAOYSA-N 486.580 2.448 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ncccc2N(C)C)CC1 1507740272 KPQKKPOAVFZNOP-UHFFFAOYSA-N 498.591 2.204 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@@]2(C)CN(C)C2=O)CC1 1507741306 PRBVBLCAPAAIEP-RUZDIDTESA-N 480.638 2.323 30 10 JEEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCOCC2(CC2)C1 1507746993 DJZWKDGSGFAFNZ-UHFFFAOYSA-N 475.640 2.179 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCCS(=O)(=O)C1 1507764807 URGBLOBSSQYGGB-HTAPYJJXSA-N 476.624 2.166 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1507809233 IPZYURKUOUEVQJ-XLIONFOSSA-N 455.625 2.046 30 10 JEEE C=CCCOCCn1c(Cc2ccncc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1507964780 GXSFSKHGOFSHKK-UHFFFAOYSA-N 461.574 2.097 30 10 JEEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1CCS(=O)(=O)CC1 1507980590 JTYUVVUYIWCRJM-QGZVFWFLSA-N 469.608 2.034 30 10 JEEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(C)Cc1ccc(OC)c(F)c1 1508087667 OXYRUNWDLQNSRJ-UHFFFAOYSA-N 456.478 2.092 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N(CC)Cc1nc(O)c2ccccc2n1 1508092479 ZBBMZKVCMQHVHY-SFHVURJKSA-N 451.531 2.497 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1508093812 KFDZGBPLWBGVCB-IEBWSBKVSA-N 473.599 2.265 30 10 JEEE Cc1nn(C)c(N2CCN(C(=O)[C@H]3CC(=O)N(C)[C@@H]3c3ccc(Cl)c(F)c3)CC2)c1C#N 1516422591 BQOOZDNNSZZADZ-MGPUTAFESA-N 458.925 2.261 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)NCc2cc(F)ccc2N2CCOCC2)ccc1F 1538560365 KQVSKLIYGCMUCA-UHFFFAOYSA-N 451.495 2.196 30 10 JEEE C#CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(CC(C)C)C(=O)C1 1539096219 USKJLPJMYPOKDK-UHFFFAOYSA-N 471.631 2.265 30 10 JEEE C#CCN(c1nnc(-c2ccccc2F)n1CCNC(=O)[C@H](C)CCC)[C@@H]1CCS(=O)(=O)C1 1539212760 XUGXHAUJTIFSSH-QZTJIDSGSA-N 475.590 2.263 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1C[C@@H](C1CC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1539229425 CQODAPVYVPBZCN-GGAORHGYSA-N 485.654 2.441 30 10 JEEE C#CCN(c1nnc(CSc2ccc(C)cc2)n1CCCn1ccnn1)[C@H]1CCS(=O)(=O)C1 1539230988 NGILCOIFHTVJMW-IBGZPJMESA-N 485.639 2.187 30 10 JEEE C#CCN1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCOCCC(C)C)CC1 1539445848 IRZNCZQQIHZNCN-UHFFFAOYSA-N 463.586 2.010 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCOCC)CC1 1539467117 NEWZEHYCKMJXLT-UHFFFAOYSA-N 452.559 2.150 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCN(C)C2CCCCC2)CC1 1539490267 UPVNXTDASSKSMB-GMAHTHKFSA-N 486.661 2.232 30 10 JEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(c2ncc3n2CCCC3)CC1 1539497721 OVXYNTDPSCUUCF-KRWDZBQOSA-N 491.687 2.172 30 10 JEEE C=C(Br)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@](C)(C(N)=O)C1 1539599269 CAZOKRDQGNLATQ-VBKZILBWSA-N 499.410 2.197 30 10 JEEE COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)[C@@H](C)Cc3ccc(C#N)cc3)CC2)c1 1540429047 BHNREDDIIWADSK-KRWDZBQOSA-N 457.552 2.287 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2OCC)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1540875553 PMBDNQSDIJNNDC-XHNVNVPESA-N 485.585 2.331 30 10 JEEE C=CCOc1ccccc1Cn1c(CC)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1540880976 VKIVYTDINAGBIL-SIKLNZKXSA-N 452.603 2.442 30 10 JEEE Cc1nn(C)c(N2CCN(c3nnc(C(C)(C)C)n3CC3CCN(CCN(C)C)CC3)CC2)c1C#N 1543001217 HYFYDIJGHSLKAY-UHFFFAOYSA-N 496.708 2.089 30 10 JEEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCCCC2)C1 1547779008 AZUYSYNYRWWGLQ-OAQYLSRUSA-N 471.631 2.211 30 10 JEEE CCS(=O)(=O)N(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1548326342 DOTWVPXLASHLEM-SFTDATJTSA-N 472.615 2.494 30 10 JEEE CN(CC(C)(C)CN1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1COCCO1 1554136682 CNJGTHSVONQGFL-OAQYLSRUSA-N 454.575 2.027 30 10 JEEE C#CCC(C)(C)C(=O)N1CCN(c2ccc(S(=O)(=O)N(CC)CC)cc2[N+](=O)[O-])CC1 1557165809 IHNCXPQWWDQCDR-UHFFFAOYSA-N 450.561 2.323 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCCCS(C)(=O)=O 1587581183 XLALHCRJXABBLR-MRXNPFEDSA-N 452.602 2.021 30 10 JEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(Cn2cncn2)CC1 1587822683 AKOXTIQKYAGZNN-UHFFFAOYSA-N 453.572 2.270 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1CCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1588069534 PZTZRMOLSKOSAM-OAQYLSRUSA-N 471.627 2.196 30 10 JEEE C=C(Cl)C[C@H](NC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1)C(=O)OCC 1588122030 KYUXWEDCOXUWJO-RKVPGOIHSA-N 458.964 2.289 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(N(C)C)CCSC2)CC1 1588898777 BOMRIXYVZZOTKL-RUZDIDTESA-N 477.638 2.220 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C)c2ccc(C)cc2)CC1 1588930514 YEJCCHCEAWQNKQ-SIKLNZKXSA-N 483.638 2.258 30 10 JEEE C=C(Br)Cn1c(-c2cnccn2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1589381557 FTTJWCVXXKRYDW-UHFFFAOYSA-N 456.352 2.377 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)NC(C)C)n1C[C@@]1(C)CN(C2CC2)C1=O 1595085266 STIKGEQDAPWVIR-RUZDIDTESA-N 461.570 2.491 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CCC2(CC1)CNC(=O)C2 1595516541 GNFNUNRNHACZKA-UHFFFAOYSA-N 473.375 2.116 30 10 JEEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1595569371 GABZVJZWJSBQHM-IBGZPJMESA-N 469.586 2.148 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCCN(c2ccccc2C#N)CC1 1595785293 VPTARVUTTXNFEL-UHFFFAOYSA-N 465.583 2.462 30 10 JEEE C=CCSCCn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1595878346 NVHUALWMRRPRLQ-HMXCVIKNSA-N 462.664 2.080 30 10 JEEE CCS(=O)(=O)N(C)CCCn1c(CC2CC2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1617352411 AOIWMPJWPCVFSX-UHFFFAOYSA-N 489.621 2.240 30 10 JEEE C[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 1654050884 AXCQPBDLBIDPCD-SNRMKQJTSA-N 469.483 2.066 30 10 JEEE C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@H](CN2CCN(C)CC2)c2ccccc2)cc1 1670221898 DCUWLORKKJUIDZ-AVRDEDQJSA-N 455.584 2.483 30 10 JEEE COc1ccccc1[C@@H](NC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1nccn1C 1681961116 BNBWGWBZRUFHFY-RBBKRZOGSA-N 458.522 2.490 30 10 JEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(Cn2ccnn2)CC1 1689916416 JHSIDHRLQQFKFK-UHFFFAOYSA-N 453.572 2.270 30 10 JEEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCc1cnc2c(Cl)cnn2c1 1690003048 BHIFLPIRRYVMCH-QHCPKHFHSA-N 467.961 2.330 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2cccc(C(C)(C)O)c2)CC1 1690110369 JAMHENCBIUFDBD-UHFFFAOYSA-N 452.603 2.227 30 10 JEEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)N(C)C2CCCCC2)CC1 1690172404 DZPRRFXZKRYAEX-OAQYLSRUSA-N 488.702 2.452 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(OC)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1690253553 ROLWUQDLUXXVEN-NBGIEHNGSA-N 498.628 2.057 30 10 JEEE C=C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC(=O)NCc2ccco2)CC1 1690367184 FNKBITVODFAJEC-UHFFFAOYSA-N 455.540 2.414 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1C[C@H]1C 1690556149 OCFWUNBHFUUBHZ-QFUCXCTJSA-N 475.615 2.468 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@@H](N2CCCC2=O)C1 1690662030 OUOOEVBKCXHTMO-OAHLLOKOSA-N 491.365 2.350 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2OCC)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1690677270 SSHPSKKACKWGND-IBGZPJMESA-N 485.585 2.332 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H](C)N2CCN(CC)CC2)C1 1690709344 FXJJQXHTSAELRM-NQIIRXRSSA-N 459.664 2.441 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1690725523 SWQIGSDZLNQJFW-FPOVZHCZSA-N 460.600 2.484 30 10 JEEE CCCN1CC[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](CNS(C)(=O)=O)C2)C1 1695355488 AURPWECMGVCWKQ-LEWJYISDSA-N 485.658 2.314 30 10 JEEE CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1Cc1cccc(COC)c1 1696329101 IAKVXFJKTFWNIE-UHFFFAOYSA-N 464.574 2.250 30 10 JEEE CN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cccnc2OCC(F)F)CC1=O 1696880222 IFUBXBIGLDRYDB-UHFFFAOYSA-N 453.453 2.182 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCS(=O)(=O)NC(C)C 1705491518 DLRDLPZNEAHLNP-MSOLQXFVSA-N 482.651 2.178 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1Cc1ccc2c(c1)OCCCO2)[C@@H]1CCS(=O)(=O)C1 1705569540 DWGNDZHGLTWRJO-LJQANCHMSA-N 458.584 2.313 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@H](C)N1CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1705570482 QFFAYGMSHREPNE-WFXMLNOXSA-N 490.699 2.381 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1-n1nc(C)cc1C 1705620715 CZAJHQUFLPEZDC-UHFFFAOYSA-N 461.570 2.451 30 10 JEEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCN(C(=O)c2ccccn2)CC1 1705681313 ROLYNOPDBWZRSV-INIZCTEOSA-N 479.379 2.268 30 10 JEEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(F)c(F)c1 1705737095 JTNFLSRBXLPWRD-LJQANCHMSA-N 485.557 2.118 30 10 JEEE C=C(Cl)Cn1c(Cc2cccnc2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1705756689 KTVPPCGDCXMHSL-UTKZUKDTSA-N 458.010 2.395 30 10 JEEE C=CC[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1)c1ccccc1 1705795348 ICWIDHDKXRWHAI-VQTJNVASSA-N 491.600 2.308 30 10 JEEE C=CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1705802971 APIJQYHVIWVEFM-IBGZPJMESA-N 456.576 2.291 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC([C@@H](O)c2ccc(F)cc2)CC1 1705909176 POBLZNBMCZASSO-VJBMBRPKSA-N 487.576 2.393 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@]2(O)CCN(C)C2)C1 1705921418 RTGYQNOUISFWSX-DVECYGJZSA-N 457.575 2.200 30 10 JEEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)N2CCC[C@H](C)C2)C1 1710345511 FFLXNFXBYPXUQA-NNMXDRDESA-N 485.658 2.455 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1CCOCc1ccccc1)[C@H]1CCS(=O)(=O)C1 1722360921 KICDGEZAPPYUJA-FQEVSTJZSA-N 453.568 2.127 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC1(CCOCC)CCCC1)[C@@H]1CCS(=O)(=O)C1 1722363239 ZKSOBLQBZLZOQI-HXUWFJFHSA-N 474.631 2.292 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H]1CCN(CC(F)(F)F)C1 1722395239 VSTCAGJRDKMDPA-GHTZIAJQSA-N 453.509 2.277 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCS1 1722423195 XUCPOOIPENMLMC-WOJBJXKFSA-N 493.630 2.286 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC2(S(C)(=O)=O)CC2)CC1 1722443172 OQDRNKWLBVFPTA-UHFFFAOYSA-N 493.992 2.281 30 10 JEEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1722456858 HUYFZHFGLRDBCA-FQEVSTJZSA-N 477.638 2.316 30 10 JEEE C=C(C)COCCn1c(Cc2ccc(F)cc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1722533025 DLJIAUKRJXMRJF-UHFFFAOYSA-N 465.595 2.461 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CCC[C@H](C(=O)NC)C1 1722694101 LJJRYLICQPZONV-LBPRGKRZSA-N 467.393 2.034 30 10 JEEE C=CCOc1ccccc1Cn1c(N2CC(=O)N(C)C[C@@H]2C)nnc1[C@]1(OCC)CCOC1 1722708579 YNDFHHQUSPNAFR-UUOWRZLLSA-N 455.559 2.210 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC=C(Br)C1 1722724825 HGTGOLUFCLVUFI-UHFFFAOYSA-N 481.376 2.015 30 10 JEEE CC(C)C[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1723358180 AIGUZIYRHALOSH-AUSIDOKSSA-N 473.599 2.151 30 10 JEEE CS(=O)(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(F)cn2)C1 1730997713 DHRZYBNREQPTJB-FQEVSTJZSA-N 470.530 2.325 30 10 JEEE C#CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1740586480 CECLQKDIHOBDHO-HXUWFJFHSA-N 466.542 2.142 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CCOc1ncccc1Cl)[C@@H]1CCS(=O)(=O)C1 1740624595 IKVVBXWCGKRGLI-GOSISDBHSA-N 486.985 2.018 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2ccccc2OC)n1CC1(NC(=O)OC(C)(C)C)COC1 1740642755 YXUVAWXPZJWWOT-UHFFFAOYSA-N 465.554 2.244 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCn1cccn1 1740677646 YWEHOBVKHWNTMZ-IBGZPJMESA-N 456.547 2.246 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(N(C)C)CCCC1 1740684232 LONBPRFWLBYMBJ-UHFFFAOYSA-N 463.586 2.152 30 10 JEEE C#CCSCCn1c(COc2cc(C)cc(C)c2)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1740721460 JTXJYRAAOWRKTK-HXUWFJFHSA-N 472.636 2.467 30 10 JEEE C=C(C)COCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1740789836 LMBYTTDKKWGRNZ-GOSISDBHSA-N 491.614 2.374 30 10 JEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccc(NC(=O)[C@H]3CCCO3)c2)CC1 1740818633 PNWAZNJBFNJXRF-FXAWDEMLSA-N 488.614 2.211 30 10 JEEE C=CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCN(C(=O)COC)CC1 1740871048 OLZNXMLDWKPDFG-UHFFFAOYSA-N 451.369 2.307 30 10 JEEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(C)[C@H](C)c1ccc([S@@](C)=O)cc1 1740959356 SNIIMUWVWUBSRI-HFWLSARRSA-N 484.582 2.243 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(N2CCCCC2=O)CC1 1740963458 LIDCNWCUJVTYFH-UHFFFAOYSA-N 477.569 2.012 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1740968088 AOGKUWRKUYVEAL-LJQANCHMSA-N 467.530 2.299 30 10 JEEE CC(C)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1741624837 HOZANHRXTNTGDK-HXUWFJFHSA-N 471.631 2.019 30 10 JEEE CCCCN(C)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@](F)(C#N)C1 1745431748 FLLJCHRUVLZRJA-HSZRJFAPSA-N 452.538 2.366 30 10 JEEE COC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(S(C)(=O)=O)CC2)CCCCC1 1748504892 GKSKSXKNPKDRTI-UHFFFAOYSA-N 488.614 2.160 30 10 JEEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1748790015 DCFODVNZYQLQPN-PMACEKPBSA-N 466.634 2.409 30 10 JEEE C#CCN(CC#CC)c1nnc(Cc2ccncc2)n1CCCN1CCN(c2ccncc2)CC1 1748896472 CCOXSQZNQJZLLZ-UHFFFAOYSA-N 468.609 2.334 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1Cc1cnn(C)c1 1748960964 SIZVMAYBNXKRAO-UHFFFAOYSA-N 460.542 2.104 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CC)C[C@@H](O)c1ccc(C)cc1 1749038473 KIJOYDIQGNLWDD-WOJBJXKFSA-N 462.641 2.415 30 10 JEEE C=C(Br)Cn1c(Cc2ccccn2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1749105308 CGSUNDNZEWFPKB-UHFFFAOYSA-N 483.436 2.423 30 10 JEEE C=C(Br)Cn1c(N2CCN([C@H](C)C(=O)NCCCOC)CC2)nnc1C(C)(C)C 1749112854 QUFPBCXHUBKNLJ-MRXNPFEDSA-N 471.444 2.147 30 10 JEEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC2(CCCCCC2)C1 1749268838 HUVQXCZAOXUQBJ-QGZVFWFLSA-N 474.027 2.293 30 10 JEEE C=CCN(CC=C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H]1CCS(=O)(=O)C1 1749572777 CCBUHPOBXMBBSS-KRWDZBQOSA-N 468.583 2.288 30 10 JEEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1749609535 SXNPGXHSZYYJGL-UHFFFAOYSA-N 475.619 2.012 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1749652567 OWVURSQRVZANTH-KRWDZBQOSA-N 488.390 2.050 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1749660053 NCKHBABFLNPJQD-SUMWQHHRSA-N 467.448 2.175 30 10 JEEE N#Cc1ccc(CN2CCCN(c3nnc(Cc4ccncc4)n3CC(=O)NCC(F)F)CC2)cc1 1750383740 AKKBJRQJLHKMMF-UHFFFAOYSA-N 494.550 2.229 30 10 JEEE CC(C)(C)Cc1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CCN1CCCS1(=O)=O 1750476151 CKWBLFPROOWZCQ-HXUWFJFHSA-N 472.615 2.352 30 10 JEEE CC(C)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1)N1CCCC1 1750586875 ATPFUHSLTWSJNP-OAQYLSRUSA-N 471.631 2.019 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CCCn1cnc2ccccc21 1751209710 HJWOGLSNIXXRHS-INIZCTEOSA-N 456.576 2.068 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(Oc2ccccc2)nc1 1760117385 OEVLQJSUMXVNDL-RXVVDRJESA-N 496.593 2.305 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccc(C)n3)n2Cc2nncn2CC)c1 1760126423 YFOFCHQJDZQRDL-UHFFFAOYSA-N 455.526 2.364 30 10 JEEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1760162070 XUEGBAJJRUYKFT-WOJBJXKFSA-N 490.630 2.250 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@@H]1OCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1760193165 VPFFLTGELAXHKA-XLIONFOSSA-N 476.574 2.438 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1nccn1C(F)F 1760248178 CUBWMQZTNWTXHR-UHFFFAOYSA-N 454.441 2.320 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC(=O)NCc2ccco2)CC1 1760253590 GICHAHKZRMSOFR-SFHVURJKSA-N 466.517 2.222 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCCN2CCCO[C@@H](C)C2)CC1 1760255173 VNJVPJOHLNNOCQ-NRFANRHFSA-N 482.629 2.218 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)CC1 1760257290 SVYCLUGPHYPUNU-RBUKOAKNSA-N 464.611 2.013 30 10 JEEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2cccc(OCC)c2OC(F)F)CC1 1760260927 IDQBUZHSDAQRRU-UHFFFAOYSA-N 488.539 2.204 30 10 JEEE C=C(Br)Cn1c(Cc2ccncc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1760310095 RRODRBONTDLYLM-GOSISDBHSA-N 452.378 2.188 30 10 JEEE C=C(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1760341395 ZQLACCGSSZNJIK-UHFFFAOYSA-N 494.987 2.258 30 10 JEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc(C)c2)CC1 1760450120 DOCSSSNAEPPIFF-FQEVSTJZSA-N 459.616 2.408 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1760515845 GVTKIXSAPMPNCD-DLBZAZTESA-N 470.549 2.354 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](CC)c2ccccc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1760548307 CRUKSXMNIGMFHG-REWPJTCUSA-N 492.667 2.436 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1760551157 VIRCHJZPUBQKIV-IXFSTUDKSA-N 476.599 2.327 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1760552990 IRJZKTVHNMFCMW-KRWDZBQOSA-N 495.049 2.284 30 10 JEEE CN(C)S(=O)(=O)c1ccccc1Cn1c([C@@H]2CCOC2)nnc1N(CCC#N)CC1CC1 1768522013 CVNMSXADAKLLKN-LJQANCHMSA-N 458.588 2.211 30 10 JEEE COc1ccccc1Cc1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@H]1CCCN1S(C)(=O)=O 1768920898 AQCUJPUOAZGBCW-XXBNENTESA-N 472.615 2.432 30 10 JEEE CNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2C[C@@H](C)O[C@H](C)C2)CC1 1769233582 FXIXVPYDHGYLRG-WOJBJXKFSA-N 495.628 2.190 30 10 JEEE O=C(COC[C@@H]1[C@H]2CCC#CCC[C@H]21)NCCOCCNC(=O)COC[C@@H]1[C@H]2CCC#CCC[C@H]21 1857792305 ZVQLLJYKJNISBS-OTZCPNHCSA-N 484.637 2.148 30 10 JEEE COc1cc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCO)ccc1OCCN1CCOCC1 1862487150 UKZCJKDYLOUDFJ-DEOSSOPVSA-N 496.560 2.285 30 10 JEEE C=CCN(CC=C)C(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccc(C(C)(C)C)cc1 1865729390 NNAGZJNDSKZYLB-GOSISDBHSA-N 464.566 2.277 30 10 JEEE C=CCOc1cn(CCN2C(=O)CSC2=O)c(CN2CCN(c3ccccc3)CC2)cc1=O 1870388414 WAPIGWJUOSJFHX-UHFFFAOYSA-N 468.579 2.431 30 10 JEEE CCCNC(=O)CSc1nnc(CC)n1/N=C/c1ccc(OCCN2CCOCC2)c(OC)c1 1874524946 NZGQPOPMSKCSPK-PCLIKHOPSA-N 490.630 2.061 30 10 JEEE COc1ccc([N+](=O)[O-])c(C(=O)N2CCC(OCC#CCN3CCN(C(C)C)CC3)CC2)c1 1891098084 JMZUDXGFUJJMRW-UHFFFAOYSA-N 458.559 2.254 30 10 JEEE COC(=O)C1(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)CCN(C(=O)OC(C)(C)C)CC1 2177012534 DTTSRMYZYBHSMU-MRXNPFEDSA-N 480.562 2.148 30 10 JEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H](CO)NC(=O)OC(C)(C)C)c1C 2255635238 FZPYOZULUSLFPV-AWEZNQCLSA-N 454.398 2.280 30 10 JEEE C=C(CS(=O)(=O)NC[C@@H]1CO[C@@H](CNC(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2255795192 TWWXEJYIEWGRJM-HZPDHXFCSA-N 460.402 2.023 30 10 JEEE C[C@@H](c1cc(B2OC(C)(C)C(C)(C)O2)cs1)N(C)C(=O)[C@@H](CO)NC(=O)OC(C)(C)C 2256624882 PWHPXRQNFIOLJW-DZGCQCFKSA-N 454.398 2.452 30 10 JEEE CC1(C)OB(c2cccnc2C(=O)N[C@@H]2COCCN(C(=O)OCc3ccccc3)C2)OC1(C)C 2267261249 SUAGZRFCBOLZML-IBGZPJMESA-N 481.358 2.148 30 10 JEEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@]1(C)CCCN(C(=O)OCc2ccccc2)C1 2267606528 ZALQZNSRXGLDEW-DEOSSOPVSA-N 483.378 2.035 30 10 JEEE CCCN(CCNS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)OC(C)(C)C 2267704156 JDGBGDUPVAPNFV-UHFFFAOYSA-N 469.413 2.306 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1F 2268634852 KVXOHYQZQMDEQL-ZBEGNZNMSA-N 456.295 2.477 30 10 JEEE C[C@@H]1CCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)[C@H](CNC(=O)OC(C)(C)C)C1 2282043258 MLUVBLUSNVHIQL-CVEARBPZSA-N 462.400 2.485 30 10 JEEE C[C@H]1CN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)CC[C@@H]1NC(=O)C(F)(F)F 2282052072 YHBMQWYECNEMBK-FZMZJTMJSA-N 459.249 2.049 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@](C)(CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2282095616 FQVVTMROMJPAHB-HSZRJFAPSA-N 461.368 2.137 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CNC(=O)c3ncncc3B3OC(C)(C)C(C)(C)O3)C[C@H]21 2282180122 QJLZQXDCRSCQQB-BFYDXBDKSA-N 458.368 2.151 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)[C@]2(CCOC2)C1 2282209588 USBAONUJJNSQCO-WAIKUNEKSA-N 461.368 2.212 30 10 JEEE CC(C)(C)OC(=O)N[C@]12C[C@@H]1CN(S(=O)(=O)c1ccc(B3OC(C)(C)C(C)(C)O3)c(F)c1)C2 2282328581 ZOFZQSSBJWSWQS-PEBXRYMYSA-N 482.383 2.413 30 10 JEEE CC(C)(C)OC(=O)N1CC2(CCOCCN2C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2282644017 AFKSJAWRWMDMBT-UHFFFAOYSA-N 461.368 2.166 30 10 JEEE CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1CNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2283064309 YVUXOKIOQQAQTK-ZDUSSCGKSA-N 468.310 2.150 30 10 JEEE C[C@@H](NC(=O)C12CC(NC(=O)OC(C)(C)C)(CO1)C2)c1nscc1B1OC(C)(C)C(C)(C)O1 2284066781 YPRDFDGXWKDYEO-ZOEHTXHGSA-N 479.408 2.446 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N1CCC[C@H](CNC(=O)C(F)(F)F)C1 2285207468 YHUCIGQCFXAFCS-CQSZACIVSA-N 455.286 2.220 30 10 JEEE Cc1nn(C)c(C(=O)N2C[C@@H]3C[C@@]3(CNC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2288252471 NTWLIJZZRPXGCA-NPMXOYFQSA-N 460.384 2.015 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2OCC[C@]2(C(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)C1 2296391684 JYLBMPNWVXCMQW-MWTRTKDXSA-N 459.352 2.345 30 10 JEEE COc1cc(C=C2Oc3cc(OCC(=O)N[C@H](C)C(=O)O)ccc3C2=O)cc(OC)c1OC 2297475668 MYIUGIUSZUYLNF-GFCCVEGCSA-N 457.435 2.297 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)n1C 2362336687 SPUJSXQENNBINV-HOTGVXAUSA-N 462.400 2.451 30 10 JEEE CON(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nc(C)n1C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2362341584 UAPJVVTUNVWONP-HNNXBMFYSA-N 464.372 2.041 30 10 JEEE CCNS(=O)(=O)c1ccc(NC(=O)CSc2n[nH]c(N/N=C/c3ccccc3)n2)cc1 21036399 JQHYNNGHPUROIM-UDWIEESQSA-N 459.557 2.280 30 10 JEEE c1ccc(C23CN4CCN(CC(C4)/C2=N/N=C2/C4CN5CCN(C4)CC2(c2ccccc2)C5)C3)cc1 59487940 HHFFAAUUEOLJFH-YDWWYXFJSA-N 480.660 2.181 30 10 JEEE CC(=O)OCC(=O)[C@]1(O)[C@@H](C)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 119081075 ISSQQUKLQJHHOR-LVERMSADSA-N 452.494 2.415 30 10 JEEE CCOC(=O)c1ccc(N=C2S/C(=C/C(=O)OC)C(=O)N2CCCN2CCOCC2)cc1 254572136 DQTLHBLRTAKXRH-CFIQETDWSA-N 461.540 2.205 30 10 JEEE COc1c(C=NNC(N)=S)c(C[C@@H]2CC(c3ccc(F)cc3)=NO2)c(OC)c2c1OCO2 254594449 FOWSICONJXYFMD-CYBMUJFWSA-N 460.487 2.474 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)N3c4ccccc4CC[C@@H]3C(=O)N3CCN(C)CC3)cc2C1=O 488513261 JVXMSQZDPBAVGJ-HSZRJFAPSA-N 472.545 2.204 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)C[S@](=O)CC(=O)Nc2cc(C)ccc2OC)nc1C 586291392 QGRSYPMKPNYBSG-WJOKGBTCSA-N 465.553 2.437 30 10 JEEE C#CCN(C(=O)c1ccc2c(c1)C(=O)N(c1ccc(OCC)cc1)C2=O)[C@H]1CCS(=O)(=O)C1 729331600 DJVIKLVDPVEFIK-SFHVURJKSA-N 466.515 2.148 30 10 JEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCC(CS(C)(=O)=O)CC1 1141361865 CNZNBMJTWNHUGU-UHFFFAOYSA-N 459.362 2.381 30 10 JEEE N#Cc1cc(F)c(S(=O)(=O)NCc2cccnc2N2CCOCC2)cc1Br 1208279549 CXHPTUDBLXFCGH-UHFFFAOYSA-N 455.309 2.170 30 10 JEEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(c3cc(Cl)c(Cl)c(Cl)c3)CC2)C1=O 1277593448 UJSJPEJGGDECGV-UHFFFAOYSA-N 459.717 2.272 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1Cc1cn(C2COC2)nn1 1286301719 OOIXHXUKRMFTBC-CQSZACIVSA-N 472.347 2.289 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2CCC(=O)N2CCCCC2)c1 1286309131 HKGYXWRBGORFKA-UHFFFAOYSA-N 472.553 2.194 30 10 JEEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1286357955 DYTCFYLEHXRBRL-RCCFBDPRSA-N 454.579 2.142 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@@H]1CCCN1CCC)[C@H]1CCS(=O)(=O)C1 1286388311 NEEXDUFOLVYMFU-SFTDATJTSA-N 471.627 2.455 30 10 JEEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCCCOc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1286389706 PANTZWXARICXNV-PZJWPPBQSA-N 485.610 2.024 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@H](C)Oc1ccccc1F)[C@H]1CCS(=O)(=O)C1 1286390907 AOLRUOKBKITNAR-ICSRJNTNSA-N 483.569 2.497 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2CCS(=O)(=O)C(C)(C)C)CC1 1286494898 VQESJGMKLRQDRX-UHFFFAOYSA-N 463.648 2.190 30 10 JEEE C#CCSCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1286497129 NKBBCSSEWFWOHA-JFIYKMOQSA-N 462.547 2.284 30 10 JEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C2CC2)C1 1286504968 SUBVLTZVSZVEGC-OKZBNKHCSA-N 474.631 2.335 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2F)CC1 1286508870 KVSKPCZWEQPFEX-QGZVFWFLSA-N 463.604 2.012 30 10 JEEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)c1ccc(F)cc1 1286508942 LFDOAEKPYLIZEG-VQIMIIECSA-N 481.619 2.314 30 10 JEEE C=C(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1286592309 YGDQCXNQMNIJQG-UHFFFAOYSA-N 474.635 2.398 30 10 JEEE C=C(C)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1286592638 ODSBXLOUCNQDDF-XLIONFOSSA-N 461.588 2.475 30 10 JEEE C=C(C)Cn1c(N2CCC(N(CC)S(C)(=O)=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1286598845 FPHAPHNEOMPIDP-NRFANRHFSA-N 455.625 2.145 30 10 JEEE C=CC[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1)c1ccccc1 1286678887 GLRYGGJOINJSNC-FPOVZHCZSA-N 486.642 2.449 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1286788696 CMCFBFCCQVUASM-UHFFFAOYSA-N 480.544 2.482 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1286815204 OHKMKOZDNJYCCO-IBGZPJMESA-N 473.599 2.484 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(Cc1cccs1)C1CC1 1286820520 MRZGCXMJJYPGCT-OAHLLOKOSA-N 470.642 2.012 30 10 JEEE C=CCS(=O)(=O)CCn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@H](C(N)=O)C1 1286823366 MLVJBYZRKJLKMO-AWEZNQCLSA-N 470.020 2.136 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1286823896 ZWLZFXSWZIXZOS-HKUYNNGSSA-N 490.630 2.214 30 10 JEEE CC[C@@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC2(CC1)COC(=O)N2 1291794954 DVMIXIXNOUJWTQ-MRXNPFEDSA-N 451.531 2.200 30 10 JEEE CNC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2nccc(C(F)F)n2)C1 1299095341 GZOISZFHNUEYOL-MRXNPFEDSA-N 482.495 2.467 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1CC(C)(C)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1300488306 QKBXSOFACJUDBA-LJQANCHMSA-N 456.616 2.231 30 10 JEEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1CCC=C(C)C)[C@@H]1CCS(=O)(=O)C1 1300505105 XRLWXOWHXYNMFQ-QGZVFWFLSA-N 461.613 2.253 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1CCN(Cc2ccccc2)CC1 1300539009 WNXOLXFZNFXQCZ-QHCPKHFHSA-N 465.623 2.165 30 10 JEEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCO[C@@H]1CCOC1 1300602529 GLKDRJYLYBJFFC-GOSISDBHSA-N 460.604 2.202 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2cc(COC(C)(C)C)on2)CC1 1300710550 FYYZWLITIAFDIZ-RXVVDRJESA-N 472.590 2.109 30 10 JEEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1300754089 HZLXEOCFEOPFAL-NHCUHLMSSA-N 481.670 2.333 30 10 JEEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1300988791 JKWHHHVKJSLKMW-IBGZPJMESA-N 493.605 2.415 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCCO3)n2Cc2cccc(S(=O)(=O)NC)c2)C1 1301556648 ITUAHSKFNQVQBK-AZUAARDMSA-N 461.588 2.257 30 10 JEEE CC(=O)N1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCN/C(O)=C2\N=CC=CC2=O)[C@H](C)C1 1301723294 ZAKINFIJJSWTTC-MESBPSPMSA-N 483.960 2.182 30 10 JEEE C[C@]1(C#N)CCCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2(CS(C)(=O)=O)CC2)C1 1303934895 GXLUSXSYOOSTDO-OAQYLSRUSA-N 491.639 2.303 30 10 JEEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCCC2(C)C)C1 1314001146 DTMVACJBBMKZKL-CVDCTZTESA-N 472.615 2.276 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2Cc2cccnc2-n2cccn2)c1 1358901013 XYMKIFXDZIPXJW-UHFFFAOYSA-N 497.563 2.102 30 10 JEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1358904844 MZMQPSMJIYTVBW-OKZBNKHCSA-N 482.651 2.431 30 10 JEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@@H](C)c2nc(C(C)C)no2)CC1 1358913153 GZLLSZVMWYNSKR-RBUKOAKNSA-N 489.646 2.373 30 10 JEEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@]1(O)CCCC1(C)C 1359024203 HHMQNDXCIBNYNN-VWLOTQADSA-N 467.618 2.479 30 10 JEEE C#CCN(CCOC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@]1(O)CCN(C)C1 1359026877 NMRBBFOQYOMADV-VWLOTQADSA-N 455.603 2.307 30 10 JEEE C=C(Cl)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1359146448 YVRBSOLZPSJRBZ-GFCCVEGCSA-N 455.733 2.151 30 10 JEEE C=CCCOCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1359228500 FNVAKRXAUYJXKL-INIZCTEOSA-N 462.576 2.139 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ncnn1C(C)(C)C 1359255814 LPBQKQFMOCIDGC-KRWDZBQOSA-N 497.629 2.347 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1[C@@H]1C[C@H]1CF 1359263747 KOGQWGBFPFOLHW-UAGQMJEPSA-N 455.581 2.396 30 10 JEEE C=CCn1c(COc2ccccc2CC)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1359289870 RAZGZSZTDOWGGM-HXUWFJFHSA-N 475.615 2.236 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1359292907 ASEUGZBTTHBMHQ-OAQYLSRUSA-N 493.406 2.123 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1359296071 WAAPEODXDOBOOK-PKOBYXMFSA-N 471.514 2.157 30 10 JEEE C[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1)N1CCc2ccccc2C1 1360671117 CLYIZPSVFQBLGR-ZWKOTPCHSA-N 471.631 2.075 30 10 JEEE N#Cc1ccc(N2C[C@H](C(=O)Nc3nc4c(s3)CS(=O)(=O)CC4)CC2=O)cc1Cl 1436699276 GBDQIDUXSNKTHF-LLVKDONJSA-N 450.929 2.131 30 10 JEEE COCCN(CCC#N)S(=O)(=O)N1CCN([C@H](C)c2ccc(Br)cc2)CC1 1463089326 HJTJLAFZTUTHCG-MRXNPFEDSA-N 459.410 2.235 30 10 JEEE C=C[C@@H]1OCC[C@H]1NC(=O)N[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 1470053423 FTPSVAKWIRKKJN-OIISXLGYSA-N 458.378 2.245 30 10 JEEE C=CCCC(C)(C)CNC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 1471015841 GBWSFAILSFBMKM-UHFFFAOYSA-N 450.561 2.026 30 10 JEEE Cc1ccc(SCc2nnc(N3CCO[C@H](C#N)C3)n2CC(=O)NCC(F)(F)F)cc1 1492467569 HGIIKYZXYCQBOQ-CQSZACIVSA-N 454.478 2.286 30 10 JEEE COCCN(CCC#N)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC(=O)NC(C)C 1504888082 HXFIXPSJLHKLHV-UHFFFAOYSA-N 477.610 2.284 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1nnnn1CC1CC1 1507548064 QXECJOXCKCYOEK-RDJZCZTQSA-N 455.567 2.253 30 10 JEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CO)(Cc2ccccc2)CC1 1507575125 QNGKOBWUFVMIRO-IBGZPJMESA-N 459.616 2.123 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1Cc2ccc(Br)cc2C1 1507589357 WDUNUCKSJCNZFI-SFHVURJKSA-N 494.415 2.307 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@H](C)Cc1cccs1)[C@H]1CCS(=O)(=O)C1 1507629068 ZPJOLYFDALQTRL-MSYCTHLASA-N 492.667 2.497 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CCN1CCSCC1)[C@H]1CCS(=O)(=O)C1 1507630036 YNOXYBGZMQQJGI-NRFANRHFSA-N 473.668 2.183 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCCN(CC)C(=O)C2)nnc1C1(c2ccccc2)CCC1 1508149274 STHULFKRJOHDFV-UHFFFAOYSA-N 471.627 2.408 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCN(c3cccc(C)c3)CC2)nnc1[C@@]1(OCC)CCOC1 1508149389 UATZFVHKRKAENM-XMMPIXPASA-N 489.642 2.166 30 10 JEEE CCN1CCN([C@@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(CNC(C)=O)CC2)CC1 1515891670 GOIAEHFLBBYJNP-FQEVSTJZSA-N 478.645 2.195 30 10 JEEE CN(CCC(F)(F)F)c1nnc(COc2ccc(C#N)cc2)n1CC1(C(N)=O)CCOCC1 1517257478 ANSBEYCTMSPUQJ-UHFFFAOYSA-N 466.464 2.399 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1Cc1ccc(F)cn1)[C@@H]1CCS(=O)(=O)C1 1539229631 FPOVYFMCHOUIKU-OAQYLSRUSA-N 453.543 2.272 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H]1CCc2ccccc21 1539326115 RZGUNPDKLDVLTM-JTHBVZDNSA-N 481.622 2.194 30 10 JEEE C#CCN1CCN(c2nnc(CCCc3ccccc3)n2CC2(N(C)C)CCOCC2)CC1 1539454089 IBBIOEBJZMPWEU-UHFFFAOYSA-N 450.631 2.319 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CCc2cnc3c(Cl)cnn3c2)CC1 1539481859 HJILINIJLOMCLO-UHFFFAOYSA-N 468.993 2.381 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC)n2C[C@H]2[C@@H](C)CCN2C(=O)OC(C)(C)C)CC1 1539483514 ZTZKMLTXNRYSPH-HKUYNNGSSA-N 458.607 2.452 30 10 JEEE C#CCSCCn1c(C2CCC2)nnc1N1C[C@@H]2[C@H](C1)[C@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1539514277 PHSYECYHJPVISY-KZNAEPCWSA-N 495.671 2.039 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1CCN1CCCS1(=O)=O 1539666325 VBUBOYHKLFKNEY-UHFFFAOYSA-N 457.560 2.032 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCc2ccn(C)n2)C1 1540892815 ROCFRYSFDGZAHS-WOJBJXKFSA-N 487.605 2.344 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCN2CCC(C)CC2)C1 1540892835 RVHRKTCQMMVUHR-WOJBJXKFSA-N 451.637 2.084 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@]2(CCOC2)C1 1540899286 JFWJHFBBOVXFMG-HXUWFJFHSA-N 470.954 2.334 30 10 JEEE CC(C)C(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCOC[C@H]2C)CC1 1541268795 DFINGYAFNQIIEF-LJQANCHMSA-N 465.602 2.278 30 10 JEEE C[C@H]1CN(CCCn2c(-c3ccc(C#N)cc3)nnc2N2CCC(CC(N)=O)CC2)CCCO1 1545093484 DLQXTCVNLGREPC-IBGZPJMESA-N 465.602 2.409 30 10 JEEE CCC[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1546835554 CNUXTWWSMPWTCE-XMSQKQJNSA-N 460.604 2.133 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccc(OC(F)F)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1588055019 ROBFTJHGLXCEAX-HZPDHXFCSA-N 484.500 2.198 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CCc1ccc(OC)cc1OC)[C@H]1CCS(=O)(=O)C1 1588064321 GAVIQGWZYSQDRQ-NRFANRHFSA-N 495.605 2.151 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H](CC)OC)CC1 1588892126 XTGLSZZNEAEWAS-INIZCTEOSA-N 463.380 2.427 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2Cc2cccc(NC(C)=O)c2)CC1 1588955060 PCKKWKPEQHKLMS-UHFFFAOYSA-N 471.565 2.236 30 10 JEEE C#CCSCCn1c(-c2ccc(Br)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1589008573 XHJLIQJMZBAVNK-NVXWUHKLSA-N 479.400 2.434 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@H]2CCCN2CC)C1 1595688873 QIDBLKJQVUVWDM-NHCUHLMSSA-N 488.658 2.461 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCc2ccc(S(C)(=O)=O)cc2)C1 1595714214 MBAMGVUWHODBFB-IBGZPJMESA-N 456.572 2.106 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CCNC(=O)C(C)C)C1 1595715429 WREQWGLAQSRSFJ-SFHVURJKSA-N 479.585 2.228 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)N(CC)CC)CC1 1595804708 FNHLPGQNNLQLDY-UHFFFAOYSA-N 454.641 2.051 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCCC[C@H](SC)C1 1595824057 WEDOQHNPIDEQIR-SFHVURJKSA-N 452.650 2.462 30 10 JEEE C=CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](C(=O)NC)C1 1595850337 KXLDYFDBQPWXHA-QGZVFWFLSA-N 463.629 2.230 30 10 JEEE CC(C)[C@@H](CCN(C)C(=O)CNS(=O)(=O)c1cccc(C#N)c1)NC(=O)OC(C)(C)C 1610971183 GBSSUVKVECPSJV-GOSISDBHSA-N 452.577 2.234 30 10 JEEE CCN(CC)CCCn1c([C@H]2CCCCO2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1615443877 HPSRHYJOQJUARU-OAQYLSRUSA-N 469.638 2.492 30 10 JEEE CS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1620165376 ASUCBNGMRKXOCY-UHFFFAOYSA-N 460.579 2.393 30 10 JEEE N#Cc1ccc(-c2nnc(N3CCC(CCCO)CC3)n2CC2(C(N)=O)CCOCC2)cc1 1620348921 BQQXBNZZWCWPTP-UHFFFAOYSA-N 452.559 2.088 30 10 JEEE Cc1c(Br)c(C)n(NC(=O)[C@H](C)c2ccc(S(C)(=O)=O)cc2)c(=O)c1C#N 1638640257 AVCPUKHFWRGPQB-SNVBAGLBSA-N 452.330 2.377 30 10 JEEE C=CCOc1cccnc1C(=O)N1CCN(c2ncc(I)cn2)CC1 1648472513 ZHFMQQYLJASGCZ-UHFFFAOYSA-N 451.268 2.003 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H](C)CN1CCN(CC)CC1 1689841413 GBVXWZLEJUOBCI-VQTJNVASSA-N 452.603 2.448 30 10 JEEE C#CCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1689913604 RJCRDGYBZXMTQA-AEFFLSMTSA-N 454.506 2.443 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CCCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1689981848 CGAVJXNYBWOMBR-LPHOPBHVSA-N 478.537 2.288 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@]1(O)CCO[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1689983574 DCAOOVMSYGDXLO-CMPZQBNXSA-N 499.420 2.419 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Cl)n1CC[C@@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1689986251 LSYJEAUDGWDDDF-IAGOWNOFSA-N 464.975 2.031 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@H](C)N(C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1689992964 RTUOAYGGPUNLLR-NZQKXSOJSA-N 478.622 2.416 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCC=CO1)[C@@H]1CCS(=O)(=O)C1 1689996410 IHRBWNLJHBQLJF-CTNGQTDRSA-N 467.551 2.048 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1nncn1C 1690045140 GNAIIGOEWRUQCI-GOSISDBHSA-N 452.563 2.032 30 10 JEEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCn1cc(Cl)cn1 1690104404 VSEFLYJVERXTEX-UHFFFAOYSA-N 469.981 2.088 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2CCO[C@H]2C(C)C)CC1 1690137827 JTPOOXIECHYTPM-UFPGJGBJSA-N 487.645 2.346 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2Cc2ncnn2C(C)(C)C)CC1 1690152810 YKODLSLXHGXVCM-UHFFFAOYSA-N 494.575 2.357 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CCNS(C)(=O)=O 1690198541 SCVZVPPVBYUDBB-JOCHJYFZSA-N 461.588 2.282 30 10 JEEE C=C(Cn1c(N2CCN(S(C)(=O)=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1)c1ccccc1 1690325806 IKHGTLFHRZFPOT-HSZRJFAPSA-N 475.615 2.114 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC(N(C)C(C)=O)CC1 1690660924 QYJPOWYTMDHMQA-INIZCTEOSA-N 458.538 2.307 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1690662669 CFYHQFJRTBQFBV-UHFFFAOYSA-N 461.448 2.491 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CCN(c2ccnc(C)n2)CC1 1690727240 XXMVMYHHJFNOBY-UHFFFAOYSA-N 481.626 2.089 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@H](C(=O)NC)C1 1690730119 XDOYRIAZTUINSJ-IBGZPJMESA-N 475.615 2.037 30 10 JEEE C=CCSCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1690737458 NFEALMNETBHBIJ-QGZVFWFLSA-N 458.588 2.485 30 10 JEEE Cc1nn(C)c(N2CCN(c3nnc(C(=O)NC(C)C)n3CCc3ccccc3F)CC2)c1C#N 1693405686 CRMUXDSIOHNGOU-UHFFFAOYSA-N 479.564 2.038 30 10 JEEE CCOc1ncccc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1696172758 GLQCWXAEAVWRJG-IBGZPJMESA-N 495.609 2.424 30 10 JEEE COC[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCS(=O)(=O)C2)C1 1697879302 AYPMKLACQZSKMJ-RBUKOAKNSA-N 459.572 2.026 30 10 JEEE C#CCCCn1c(Cn2ccc3ccccc32)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1705538683 XFWRCCPAMLTBEP-LJQANCHMSA-N 454.600 2.460 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC[C@@H](C)c1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1705558716 GPCYWOJHIXFHSF-QUCCMNQESA-N 487.626 2.245 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccc(C)c(C)c2)CC1 1705755864 ZHIPVEXQKLNUPI-FQEVSTJZSA-N 495.049 2.307 30 10 JEEE C=CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1705892331 XQKYBWPBTQGTHP-IBGZPJMESA-N 463.586 2.484 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2sccc2C)C1 1705926099 YMYGHKPDJXNWEO-MSOLQXFVSA-N 481.644 2.005 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC(Cn2nc(C)cc2C)CC1 1705936043 IPPQMZAELFMCHW-HXUWFJFHSA-N 462.620 2.113 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1705937201 MFXHBFWNQMGEFN-UHFFFAOYSA-N 481.504 2.100 30 10 JEEE CCNC(=O)C1(Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@@H](c3cccc(C#N)c3)C2)CCC1 1710316648 DETMFJWQYZMBLE-HXUWFJFHSA-N 479.585 2.172 30 10 JEEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCO[C@@H]2C(C)C)C1 1710345569 FVMICKMATWWJOU-PWRODBHTSA-N 472.615 2.396 30 10 JEEE C#CCN(c1nnc(-c2ccc(OCC)c(OC)c2)n1CC1(C)COC1)[C@@H]1CCS(=O)(=O)C1 1722360607 BEBSPJCIMVBFNW-GOSISDBHSA-N 474.583 2.016 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1CCc1n[nH]c(C)n1)[C@@H]1CCS(=O)(=O)C1 1722362194 MOWBOENLEAWDAI-OAHLLOKOSA-N 477.953 2.034 30 10 JEEE C#CCN(c1nnc(-c2ccccc2)n1CCCN1CCCO[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1722363739 VDNZWELLTZAZBT-RBBKRZOGSA-N 471.627 2.073 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CC(C)(C)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1722364391 GJMJFHFOOQRLLF-OAQYLSRUSA-N 470.643 2.155 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@](C)(OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1722364443 ZWHCTXVVHAUPFS-REWPJTCUSA-N 453.568 2.259 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CCCn1cccn1)[C@@H]1CCS(=O)(=O)C1 1722369650 DCEUQTJNLGACMN-HXUWFJFHSA-N 468.583 2.079 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc(F)cn1 1722394476 UZOTZHPDXJNNCZ-UHFFFAOYSA-N 451.531 2.284 30 10 JEEE C#CCN(CC)c1nnc(Cc2csc(C)n2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1722412380 IHOYSWARXBANJE-UHFFFAOYSA-N 455.588 2.348 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](C)Cc2ccc(OC)cc2)CC1 1722448458 UYHCGIQOGGRYKO-PGRDOPGGSA-N 478.597 2.082 30 10 JEEE C#CCSCCn1c(COc2ccccc2F)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1722464118 VSEZFVZVGFMFJM-HXUWFJFHSA-N 486.617 2.105 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C)c2ccccc2C1 1722490885 FDPSQHMCZQEVPD-CUWPLCDZSA-N 474.631 2.326 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1722501906 HALNAHIMTMIVRE-NQIIRXRSSA-N 473.622 2.012 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(OC)ccc1OC 1722517959 QMZNKOHCEMQDQU-HXUWFJFHSA-N 479.603 2.079 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(OC)c(OCC)c2)CC1 1722565662 AXUJFAKJHXKEIX-OAQYLSRUSA-N 491.614 2.223 30 10 JEEE C=CCN(CCOC)c1nnc(-c2ccc3ccccc3n2)n1CC1(C(N)=O)CCOCC1 1722678611 UDMZCGFKXMOTHK-UHFFFAOYSA-N 450.543 2.414 30 10 JEEE C=CCn1c(COc2ccc(F)cc2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1722691233 QVDGQQLWLUCBGQ-UHFFFAOYSA-N 478.575 2.458 30 10 JEEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC[C@H](c2nc(C)no2)C1 1722701331 NEBMSFHHAYBADJ-IBGZPJMESA-N 465.558 2.450 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1722706477 UAMSNWPRNXAXKY-IRLDBZIGSA-N 468.602 2.015 30 10 JEEE CC(=O)NCC1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(C)n(C)c2=O)CC1 1722840535 HWLREVYXSPYVSH-UHFFFAOYSA-N 489.580 2.137 30 10 JEEE Cc1cc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC(=O)NCC(F)(F)F)c2ccccc2n1 1724197204 FZDITFOWCVMUET-CQSZACIVSA-N 459.432 2.209 30 10 JEEE Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCCN2CCCO[C@H](C)C2)cc1 1724437761 GPVXZCFXVLPEKN-IFMALSPDSA-N 454.575 2.395 30 10 JEEE CC[C@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ncccn2)CC1 1727092296 GRFZVICLUONWJX-SFHVURJKSA-N 459.558 2.238 30 10 JEEE CCCNC(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCOC[C@@H]2C)C1 1728175242 CZUWFRKCPZFNFY-UNMCSNQZSA-N 495.628 2.192 30 10 JEEE CN(C)CC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N2CCNC2=O)CC1 1729333014 HJIHEJKJXLBNIW-UHFFFAOYSA-N 450.591 2.399 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCCN2CCC)c1 1740562973 PBNCRJKHNXXCAF-SFTDATJTSA-N 463.586 2.160 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCCN(C(C)C)C2)CC1 1740699603 MSDRKHXXZJGETI-HXUWFJFHSA-N 469.659 2.145 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCOCc2ccc(OC)cc2)CC1 1740706479 YUEXNRZQCVVSDK-QFIPXVFZSA-N 481.597 2.363 30 10 JEEE C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1740780639 GMVYGVKMHUGCOY-LJQANCHMSA-N 454.531 2.305 30 10 JEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 1740796132 PPYFTTVHQBWXDR-KRWDZBQOSA-N 459.551 2.078 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCC(=O)N(C)C)CC1 1740840245 VGRPECDUAPLNIU-SFHVURJKSA-N 462.595 2.467 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)NC(CC)CC)nnc2N2CCN3C(=O)OC[C@H]3C2)cc1 1740966029 OETPQDWTWDAICK-LJQANCHMSA-N 468.558 2.450 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H](NC(=O)OCC)C1 1740966971 ZDSZLWOTUSHHLV-YQVWRLOYSA-N 462.595 2.214 30 10 JEEE C#CCCCCn1c(N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)nnc1[C@]1(OCC)CCOC1 1748731226 XUVPHVBTPVVZDF-CYFREDJKSA-N 477.606 2.464 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@H](CC(C)C)NC(=O)OCC)[C@@H]1CCS(=O)(=O)C1 1748814358 DQRPQOUEONHYHE-ZCNNSNEGSA-N 495.646 2.307 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@H](C)SC)[C@@H]1CCS(=O)(=O)C1 1748824197 KWYRHISNJSRENG-JKSUJKDBSA-N 452.577 2.374 30 10 JEEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](C(C)C)N1CCOCC1 1748920822 SCIPDLTZSDNHPA-FQEVSTJZSA-N 473.647 2.055 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(N(C)C)CCC1 1748965972 YKPDUXNXNNJDKE-LJQANCHMSA-N 476.622 2.157 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2Cc2cc(OC)c(OC)c(OC)c2)CC1 1748990579 JBZOANCRJXQLIT-IBGZPJMESA-N 455.559 2.001 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCC[C@H](O)C2)CC1 1749003865 XYXNDEHWNXCYDV-UWJYYQICSA-N 466.542 2.370 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC2(O)CCCC2)CC1 1749006073 HOEGYWCLLBMFSU-UHFFFAOYSA-N 467.570 2.233 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@](F)(C#N)C1 1749721364 IEGWYOUBLZZTAV-NRFANRHFSA-N 460.535 2.190 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CC(=O)N(C)Cc1ccccc1 1760123046 XNVACNAHVPDDMW-QGZVFWFLSA-N 450.568 2.386 30 10 JEEE C#CCCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1760132235 FWEHUSDCLHJIOX-SFHVURJKSA-N 478.557 2.298 30 10 JEEE C#CCN(c1nnc(-c2ccc(Br)s2)n1CC1(O)CCC1)[C@H]1CCS(=O)(=O)C1 1760182003 AHIWQVDVHKQLFA-ZDUSSCGKSA-N 485.429 2.311 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1cccc(CN2CCO[C@@H](C)C2)c1)[C@@H]1CCS(=O)(=O)C1 1760183535 QWWURJRWJYVPBQ-NZQKXSOJSA-N 499.681 2.471 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(F)cc2C(F)(F)F)CC1 1760251675 GITNQRWZQLIKRD-UHFFFAOYSA-N 464.467 2.476 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCCN2C[C@H](C)C[C@@H](C)C2)CC1 1760251720 GWIFWBHZOAAQFZ-FGZHOGPDSA-N 478.645 2.439 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC2(N(C)C)CCOCC2)CC1 1760255006 SRLSPGVCKCTUTA-UHFFFAOYSA-N 474.556 2.413 30 10 JEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1760284559 ODODWIUBYWECAH-QGZVFWFLSA-N 462.620 2.213 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCOC2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1760321963 MGMQQWVHWDGJNW-BJLQDIEVSA-N 467.636 2.061 30 10 JEEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1760380693 KUODAJKGRYEYTG-RCOXNQKVSA-N 481.041 2.134 30 10 JEEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](Oc2ncccc2F)C1 1760433287 RDIRSMMWRWADTH-CVEARBPZSA-N 452.556 2.436 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nccs1 1760480349 RXVRHGICOVFBRM-IBGZPJMESA-N 499.622 2.180 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCOC[C@@H]1C)C(C)C 1760489047 BFWXCBNHEHVJAS-SLFFLAALSA-N 451.637 2.104 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1760518438 VEFWDNCEOBZFPC-IRXDYDNUSA-N 458.950 2.157 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1760520239 HDSYHHWJJZRGJK-ZDUSSCGKSA-N 470.883 2.406 30 10 JEEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN(CC(F)F)CC1 1760524417 XFXDIZWYFCFYMX-UHFFFAOYSA-N 497.591 2.082 30 10 JEEE C=CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1760561288 WKTOYGCZIDORRG-UHFFFAOYSA-N 453.616 2.383 30 10 JEEE CC[C@H](C)N(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(=O)NC)C1 1762017815 HERFXZPGAUMLNM-AZUAARDMSA-N 453.591 2.421 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCNC(C)=O)[C@H]2c2ccc(OC)c(OC)c2)cc1OC 1862579556 QTZHMTBNHGCKPA-QFIPXVFZSA-N 484.505 2.435 30 10 JEEE N#Cc1ccccc1NC(=O)CNC(=O)c1cc(-c2cccs2)n([C@@H]2CCS(=O)(=O)C2)n1 1868145086 GEOVVNJLCSIJMV-OAHLLOKOSA-N 469.548 2.211 30 10 JEEE N#Cc1c(NC(=O)COc2cn(C[C@H]3CCCO3)c(CN3CCOCC3)cc2=O)sc2c1CCC2 1870323894 LVPKILISGUPXES-GOSISDBHSA-N 498.605 2.299 30 10 JEEE C=CCN=c1nc(N2CCN(c3ccccc3F)CC2)[nH]c(=Nc2ccc3c(c2)OCCO3)[nH]1 1871711130 BLEYXBKFIKTUBA-UHFFFAOYSA-N 463.517 2.294 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)COc2nonc2CC(=O)N2CCc3ccccc3C2)nc1C 1872636748 DRVVXHXHXOYPLW-UHFFFAOYSA-N 497.533 2.322 30 10 JEEE COc1ccc(N2C[C@H](c3nnc(SCCO)n3/N=C/c3cccc(O)c3)CC2=O)cc1 1874198321 WOEVVZZNWCPBQP-DXRSZSRVSA-N 453.524 2.479 30 10 JEEE CC(C)N1C[C@@H](c2nnc(SCC(N)=O)n2/N=C/c2ccc(C(F)(F)F)cc2)CC1=O 1874338552 UKWGRMAGEUUQCF-NEQVQZIISA-N 454.478 2.481 30 10 JEEE CC(C)N1C(=O)CS[C@@H](C(=O)N2[C@H]3CC[C@H]2CC2(C3)CN(C)C(=O)CO2)[C@H]1c1ccc(C#N)cc1 1889540778 NHICPRWGGHZRKW-UWXQAFAOSA-N 496.633 2.333 30 10 JEEE COc1ccc(-c2ccc(=O)n([C@H](C)C(=O)N3CCC(COc4nccnc4C#N)CC3)n2)cc1 1891588850 YNIOCWJPRSIKKI-QGZVFWFLSA-N 474.521 2.459 30 10 JEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](NC(=O)OC(C)(C)C)CC[C@H]1C(=O)O 2068508700 DRHFQBAPDSDXKP-PMPSAXMXSA-N 453.536 2.262 30 10 JEEE CC1(C)OB(c2ccnc(NC(=O)[C@](C)(NC(=O)C(F)(F)F)C(F)(F)F)c2)OC1(C)C 2141677196 DNIUTTQFBFTCLB-HNNXBMFYSA-N 455.164 2.319 30 10 JEEE Cn1ncc(CNC(=O)OC(C)(C)C)c1C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2206617230 QMRCJUCELRFGJY-UHFFFAOYSA-N 457.340 2.391 30 10 JEEE CC1(C)OB(c2ccc(Cl)c(NS(=O)(=O)CCN3C(=O)c4ccccc4C3=O)n2)OC1(C)C 2217517105 SZHMNVJUBKELBU-UHFFFAOYSA-N 491.762 2.072 30 10 JEEE CC1(C)OB(c2ccccc2CS(=O)(=O)NCCNC(=O)OCc2ccccc2)OC1(C)C 2247894452 GYACERVRNXDORX-UHFFFAOYSA-N 474.388 2.332 30 10 JEEE CN(C(=O)OCc1ccccc1)C1CN(C(=O)c2nn(C)c(Cl)c2B2OC(C)(C)C(C)(C)O2)C1 2255647648 BMYGVHARKIABLI-UHFFFAOYSA-N 488.781 2.466 30 10 JEEE CN(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)[C@H]1CCN(C(=O)OCc2ccccc2)C1 2255648356 KWUNBLKDSSNFHL-SFHVURJKSA-N 468.363 2.202 30 10 JEEE CN(CC1CN(C(=O)OCc2ccccc2)C1)C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2255829863 WNRCZIALBXKVQK-UHFFFAOYSA-N 468.363 2.060 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@H]1CNS(=O)(=O)c1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2267471389 SHPPNYGJLWIIID-BBRMVZONSA-N 470.372 2.316 30 10 JEEE CC(C)(C)OC(=O)N1CCCO[C@H](CNC(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)C1 2267488846 VIGNIBGKYMUTAD-CQSZACIVSA-N 467.397 2.198 30 10 JEEE COC[C@H](ONC(=O)OC(C)(C)C)C(=O)NCc1sc(B2OC(C)(C)C(C)(C)O2)cc1C 2268640885 ZNTAGPVKQHUDGK-AWEZNQCLSA-N 470.397 2.443 30 10 JEEE CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCN1c1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2280769412 YEPARLWDEYUBRW-KRWDZBQOSA-N 461.368 2.370 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2F)C1 2281791028 WLWUIOKZZKLXDY-MSOLQXFVSA-N 464.343 2.225 30 10 JEEE COc1ccc(C(=O)NN2CCN(C(=O)OC(C)(C)C)CC2)c(B2OC(C)(C)C(C)(C)O2)c1 2281936616 PGDRRKIQMIDAIB-UHFFFAOYSA-N 461.368 2.192 30 10 JEEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)C1 2281983008 XJZMVRDRIVLUFB-HZPDHXFCSA-N 462.400 2.485 30 10 JEEE Cc1nn(C)c(C(=O)N2CC[C@@H](C)N(C(=O)OC(C)(C)C)CC2)c1B1OC(C)(C)C(C)(C)O1 2281989463 ZTPFJJNAEOZBRL-OAHLLOKOSA-N 462.400 2.499 30 10 JEEE C[C@@H]1CCCN(C(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)[C@@H]1CNC(=O)OC(C)(C)C 2282034343 GXJWOJUFFFQGNR-NVXWUHKLSA-N 462.400 2.485 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1S(=O)(=O)N1C[C@H]2[C@H](NC(=O)OC(C)(C)C)[C@H]2C1 2282509763 OZAIKAHIPCWPGK-DZFIZOCASA-N 478.420 2.438 30 10 JEEE Cn1cc(C(=O)NC[C@H]2CCCN(C(=O)OC(C)(C)C)CC2)nc1B1OC(C)(C)C(C)(C)O1 2282553137 VGFXGCNRQJMIBO-INIZCTEOSA-N 462.400 2.486 30 10 JEEE Cc1c(C(=O)N[C@@](C)(CNC(=O)OC(C)(C)C)C2CC2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282555656 WRIAQDDAWPZAQD-QHCPKHFHSA-N 462.400 2.451 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1C[C@H](NC(=O)OC(C)(C)C)[C@H](O)C1 2282590969 JLSWRKBPVOKVRW-SOUVJXGZSA-N 481.424 2.145 30 10 JEEE C[C@@H](CNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)o1)N1CCN(C(=O)OC(C)(C)C)CC1 2282623320 OINBSAPDCMVRTE-INIZCTEOSA-N 463.384 2.250 30 10 JEEE CN(CCCNC(=O)OC(C)(C)C)CCCNC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2282629116 SCTFZQYVSNYKQU-UHFFFAOYSA-N 482.456 2.409 30 10 JEEE CCC(CC)(CNS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2282833781 KDGRRURFAVMUMS-UHFFFAOYSA-N 486.444 2.081 30 10 JEEE CN(CCCCCNC(=O)OC(C)(C)C)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282857814 NFKKQCMGTUECEE-UHFFFAOYSA-N 486.444 2.035 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)NCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2285184746 RGQVULLTJIJAOJ-HSZRJFAPSA-N 464.343 2.113 30 10 JEEE O=C(C=Cc1ccc2c(c1)OCCO2)C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 2325701911 AQCRUQUQFMERTI-UHFFFAOYSA-N 466.475 2.270 30 10 JEEE CCCCc1nnc(SCC(=O)OC)n1N=Cc1ccc(OCCN2CCOCC2)c(OC)c1 2331341687 NVIOILDLSHMKGC-UHFFFAOYSA-N 491.614 2.488 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H]3C[C@H]2[C@@H]3NC(=O)OCc2ccccc2)n1C 2337190539 OZEZPOAZHPWAEG-CEXWTWQISA-N 480.374 2.167 30 10 JEEE CC(C)(C)OC(=O)N1Cc2nncn2C[C@H]1C(=O)N1CC[C@](C)(B2OC(C)(C)C(C)(C)O2)C1 2368335622 JKJONMKPRNWTRL-NYHFZMIOSA-N 461.372 2.482 30 10 JEEE CCN(CC)c1ccc(/C=N/Nc2nnc(SCC(=O)NCc3ccc(OC)cc3)n2N)c(O)c1 21325767 HNUHLLVGBWQJTI-VULFUBBASA-N 498.613 2.407 30 10 JEEE COc1cccc([C@@H]2c3c(nc(NCc4ccc5c(c4)OCCO5)[nH]c3=O)NC(=O)[C@@H]2C#N)c1 72472458 SIQLBQNADBUDSN-APWZRJJASA-N 459.462 2.386 30 10 JEEE CCOc1ccccc1[C@@H](CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)NC(C)=O 476611510 NKKPMQBPZUTHOK-OAQYLSRUSA-N 484.578 2.057 30 10 JEEE CC(=O)N1CCN(CCOc2ccc(CCNC(=O)[C@H](C)Oc3ccccc3C#N)cc2)CC1 609073288 ISWXTGAPRIYNTC-FQEVSTJZSA-N 464.566 2.227 30 10 JEEE CC1(C)OB(c2cccc3c2CCN3S(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)OC1(C)C 712203104 KAYNOSYFZAWBKO-UHFFFAOYSA-N 496.394 2.364 30 10 JEEE Cc1c(S(=O)(=O)NCc2ccc(S(=O)(=O)CCO)cc2)sc2ccc(C#N)cc12 1211719229 COISIQRJQOBVKT-UHFFFAOYSA-N 450.563 2.326 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(C)(C)N1CCOCC1 1286295613 JRRBAESJOLFBAC-OALUTQOASA-N 476.622 2.155 30 10 JEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2ccc(F)cc2F)C1 1286349965 RLUKUMMRTFJPJZ-DNVCBOLYSA-N 450.511 2.450 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC[C@H](OC)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1286397305 YZVKPZNMDPUIBS-JYJNAYRXSA-N 464.510 2.114 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCCN(c2nccc(OCC)n2)CC1 1286782777 GGKIKONUMVLNQO-UHFFFAOYSA-N 466.546 2.054 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 1286790566 UOGPOMFQWBFNEV-HXUWFJFHSA-N 474.569 2.125 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 1286818677 MGSKCXJEGAAEJM-MRXNPFEDSA-N 477.612 2.475 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC(O)(Cc2ccccc2F)CC1 1286821045 YYHICZPWODWUPH-LJQANCHMSA-N 478.590 2.096 30 10 JEEE CCN(C)C(=O)Cn1c(CCc2ccccc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1295079794 ALJINMNOKBCDRF-UHFFFAOYSA-N 458.570 2.135 30 10 JEEE CN(C[C@@H]1CCCOC1)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCS(=O)(=O)C1 1298559714 GNAYSBIPXUZZQY-RBUKOAKNSA-N 459.572 2.026 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@@H](CC)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1300483777 NODIBBGJECZDLV-NHCUHLMSSA-N 471.627 2.455 30 10 JEEE C#CCN(c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1300495388 GYAUMGOTDOFFLW-PKOBYXMFSA-N 495.646 2.054 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1CCCc1cc(OC)ccc1OC)[C@@H]1CCS(=O)(=O)C1 1300496289 PIZKTGZSFQHQCK-VQTJNVASSA-N 488.610 2.059 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CC1CCC(OC)CC1)[C@@H]1CCS(=O)(=O)C1 1300502011 PCSHEMXWKIJQQP-NYLDSWQDSA-N 457.600 2.096 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@H](c2ccc(F)cc2)N(C)C)CC1 1300725058 FMNPSXJUXIYQFV-RBBKRZOGSA-N 468.577 2.190 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cc(C)ccc1OC 1300806167 QSHMGEMKHXIAEG-ZJSXRUAMSA-N 487.626 2.163 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1301579014 LTQHDZQPYSTTHD-LJQANCHMSA-N 482.614 2.145 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCOC2(CCOCC2)C1 1301587453 OZBQXADJYXUJDK-UHFFFAOYSA-N 482.553 2.134 30 10 JEEE N#CCC1CCN(c2nnc(Cc3ccncc3)n2CCc2ccc(S(N)(=O)=O)cc2)CC1 1303011201 DZDRHTYPYLKAFX-UHFFFAOYSA-N 465.583 2.284 30 10 JEEE C=CC[C@@H]1CCCC[C@@H]1NCC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 1307923803 KBAFZQPGFKQWOB-XLIONFOSSA-N 450.561 2.152 30 10 JEEE CN(c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CCCCCC1)[C@H]1CCS(=O)(=O)C1 1314700871 HHGJCHXFGFETQA-IBGZPJMESA-N 473.599 2.437 30 10 JEEE Cc1cccn2cc(CCNC(=O)C3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)nc12 1354955048 AIWFHWXFGFYXPL-UHFFFAOYSA-N 451.552 2.274 30 10 JEEE C#CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@](C)(C(N)=O)C1 1358913805 YSOMBWKOKCKBCY-HXOBKFHXSA-N 460.579 2.092 30 10 JEEE C#CCN(c1nnc([C@H](C)OCCOC)n1Cc1coc2ccccc12)[C@@H]1CCS(=O)(=O)C1 1358957401 UCAPTLNPCFHZGJ-PKOBYXMFSA-N 472.567 2.423 30 10 JEEE C#CCN(c1nnc(C2CC2)n1CC(C)(C)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1358962330 NVXUWGDKVRZLDD-INIZCTEOSA-N 451.593 2.086 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cccc(CN2CCOCC2)c1 1358999324 NLBWPMXPZWOBSC-DQEYMECFSA-N 477.609 2.346 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H](C)Oc2ccc(F)cc2)CC1 1359044249 AMSGDEZACMWILI-PKOBYXMFSA-N 455.534 2.354 30 10 JEEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2c(ccnc2N(C)C)C1 1359084338 DWNITYUBDCSKTF-HNNXBMFYSA-N 481.420 2.113 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccnc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1359097286 NFXVHJAJQCKNMW-UYAOXDASSA-N 460.604 2.182 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1CCN1CCOC[C@@H]1C 1359254969 JVAJVEFQUQIWNT-FQEVSTJZSA-N 463.586 2.299 30 10 JEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2cc(Br)ccc2C1 1359287696 QUPGLSYIUKIYIU-KRWDZBQOSA-N 482.404 2.122 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 1359296460 KCITXMFIICTLNI-UHFFFAOYSA-N 461.570 2.490 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@H](C(=O)OC)C1 1359335148 CACJKXZQSWOYAF-HNNXBMFYSA-N 468.963 2.111 30 10 JEEE C=CCc1cc(CNC(=O)N2CCC[C@H](CNS(=O)(=O)C3CC3)C2)cc(OC)c1OC 1477658256 SMVQJMKCQCPMLD-MRXNPFEDSA-N 451.589 2.436 30 10 JEEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nnc(C(C)(C)C)s2)CC1=O 1504909766 ALSABOCGLSICJF-UHFFFAOYSA-N 480.598 2.309 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCNc1ncc(Cl)cc1Cl 1507516590 LLNQLUBOMPHRGV-NWDGAFQWSA-N 460.391 2.160 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1Cc1nc(C(C)C)cs1)[C@@H]1CCS(=O)(=O)C1 1507624785 DDRVXDRKSOUCKC-VGSWGCGISA-N 493.655 2.185 30 10 JEEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2C[C@@H](C)CNC(=O)OC(C)(C)C)CC1 1507724739 WKNVNYXEPQGSEZ-IBGZPJMESA-N 453.591 2.180 30 10 JEEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1507753374 MLBSCENGTYVZRT-FQEVSTJZSA-N 457.648 2.196 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1508072751 KEECUDOVQRGGDE-IRXDYDNUSA-N 471.558 2.136 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CCN(CCOCC)CC1 1508078591 ZZBXBJAUUNUXGS-UHFFFAOYSA-N 483.436 2.230 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1508125520 PIIAHZATYDXJCH-IAGOWNOFSA-N 481.569 2.352 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@]2(CCOC2)C1 1508136689 UTHGFKYLUMYUAC-QFIPXVFZSA-N 462.572 2.180 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCCN(C(=O)C(C)C)CC1 1508149181 PQFKJYKCURTZQU-WOJBJXKFSA-N 495.690 2.492 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCC[C@H]1C 1519149671 BAOXOJNRJNLINB-KNQAVFIVSA-N 486.642 2.189 30 10 JEEE C#CCN(C(=O)c1cnc(C2CCN(C(=O)OC(C)(C)C)CC2)o1)[C@H]1CCS(=O)(=O)C1 1528599888 JZDKFNFGZNQGGA-INIZCTEOSA-N 451.545 2.052 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1538992532 SZBMLBKXEVVSSQ-CABCVRRESA-N 496.431 2.456 30 10 JEEE C#CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C)C(=O)[C@@H]1C 1539071068 KXEURUVIPZJVSD-ROUUACIJSA-N 460.579 2.057 30 10 JEEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1539078734 GDVWXGPGWOHPEX-UHFFFAOYSA-N 491.625 2.313 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@H]1CCCN1CCCO 1539312513 RRZSWSMQNYQZCH-DEOSSOPVSA-N 457.582 2.441 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)(C)C)n2CCN2CCOCC2(C)C)n1 1539424524 SBKDNZDNZRGPRX-UHFFFAOYSA-N 457.623 2.169 30 10 JEEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2C[C@H]2CN(CC(C)C)CCO2)CC1 1539454584 TWPLGEFOCPDNQH-XMMPIXPASA-N 450.631 2.175 30 10 JEEE C=C(Br)Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)C[C@@H](C)C(=O)NC 1539594216 HUJGEDFYZBJEOE-LLVKDONJSA-N 460.336 2.321 30 10 JEEE C=C(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(CCOC)[C@@H](C)C1 1539700063 MAUSRNQKEIZHNK-SFHVURJKSA-N 451.575 2.408 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Br)cc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1540899054 BWEILXXEIFMKLH-NVXWUHKLSA-N 494.415 2.023 30 10 JEEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 1540913111 IQTAIXLKBVDCAM-CTNGQTDRSA-N 486.690 2.415 30 10 JEEE N#Cc1ccc(N2CCN(S(=O)(=O)c3ccccc3F)C[C@@H]2C(N)=O)cc1C(F)(F)F 1548367505 GODWDQIVLSZDJY-MRXNPFEDSA-N 456.421 2.081 30 10 JEEE CNC(=O)[C@@H]1CN(S(C)(=O)=O)C[C@H]1C1CCN(c2ccc(C#N)c(C(F)(F)F)c2)CC1 1548396173 WVXVYDFTNBSPLX-DLBZAZTESA-N 458.506 2.047 30 10 JEEE CN(Cc1cccc(C#N)c1)c1nnc(C(=O)Nc2ccccn2)n1CCCN1CCOC1=O 1554162589 CXKBTFIJSRYAPV-UHFFFAOYSA-N 460.498 2.276 30 10 JEEE C=CCn1c(SCC(=O)N2CC(O)(C(=O)OC)C2)nnc1-c1ccc(Cl)cc1Cl 1558058962 ARZBVZVTDWBKQZ-UHFFFAOYSA-N 457.339 2.276 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1C[C@@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1587683277 GHLSWTLRJPDTHS-QKKHWQHCSA-N 489.617 2.484 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CCN(C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1588064138 BHQIRFGMFOLVSF-QHCPKHFHSA-N 478.622 2.023 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1nnc(C(C)(C)C)s1)[C@H]1CCS(=O)(=O)C1 1588064729 OBBYRPVIICPIEP-KRWDZBQOSA-N 485.639 2.088 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(C)cc1F)[C@H]1CCS(=O)(=O)C1 1588073694 BQIVNBMAAXJVSQ-ZJOUEHCJSA-N 476.574 2.125 30 10 JEEE C#CCN(c1nnc(CSc2ccccc2OC)n1CCC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1588075049 WHUDUPRQMFLAEV-KRWDZBQOSA-N 478.640 2.367 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCCN1Cc1ccccc1 1588559901 MBWUCBUBFGUVGZ-QFIPXVFZSA-N 450.587 2.265 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(CN2CCCCC2)cc1 1588637998 MBZDSIUXBPXNEH-JOCHJYFZSA-N 450.587 2.349 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCC(F)(F)C2)n1 1588724376 XTFOIQYWCANJJS-MSOLQXFVSA-N 496.584 2.098 30 10 JEEE C#CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1589078621 UOBIAKNQMUIKIZ-UHFFFAOYSA-N 497.600 2.432 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2(SC)CCC2)CC1 1594241285 LLKFAWXUXJEZHW-QGZVFWFLSA-N 455.650 2.299 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](c2ccc(Br)cc2)C1 1595466113 FCLYTOHEFUTKPP-KRWDZBQOSA-N 491.390 2.059 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1595555942 LBPCQOAYSWJVCM-LJQANCHMSA-N 464.549 2.205 30 10 JEEE C=CCOc1ccccc1Cn1c(-c2cccn2C)nnc1N1CCO[C@H](CNC(C)=O)C1 1595648933 JRRLGDJSSQPPKB-HXUWFJFHSA-N 450.543 2.238 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccoc1 1595659484 ZSOINPUNSVTXCZ-OAQYLSRUSA-N 487.582 2.454 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C(C)C)N2CCOCC2)C1 1595674464 QBCLLEDFMFTZKQ-VQTJNVASSA-N 469.590 2.064 30 10 JEEE CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(C)n(C)c1=O 1617267431 DKUMDVWCLCRFJY-QGZVFWFLSA-N 468.583 2.132 30 10 JEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCc1cnc(SC2CCCC2)nc1 1637784687 FNMFYGSQLCLCCF-OAHLLOKOSA-N 459.597 2.409 30 10 JEEE C#CCN1CCC(NC(=O)c2nnn([C@@H]3CCN(C(=O)OC(C)(C)C)C3)c2C(F)F)CC1 1638678236 DPEWEDTYIBQCRF-OAHLLOKOSA-N 452.506 2.225 30 10 JEEE N#Cc1ccc(F)c(CS(=O)(=O)N2CCNC(=O)[C@@H]2c2ccccc2Br)c1 1662609635 DWWLJYDFWHJHGJ-KRWDZBQOSA-N 452.305 2.463 30 10 JEEE C#CCOc1ccccc1CNC(=O)Nc1cccc(S(=O)(=O)N2CCCN(C)CC2)c1 1668776292 JVEQMNBQHYPBNM-UHFFFAOYSA-N 456.568 2.347 30 10 JEEE C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCN(C(=O)c2ccccc2I)CC1 1682524528 QIYPJZKLTYXRQZ-SJORKVTESA-N 469.323 2.492 30 10 JEEE C#CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCS(=O)(=O)CC1CC1 1689964529 QKQJIHZQGPYBDW-SFHVURJKSA-N 465.620 2.287 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1CCn1cc(C)cn1)[C@@H]1CCS(=O)(=O)C1 1689992585 MNEKGTLONGLTQD-OAQYLSRUSA-N 452.584 2.009 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCS(=O)(=O)N1CCSCC1 1690015792 XRNYNRFIXBOUDR-UHFFFAOYSA-N 496.618 2.052 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccn(-c2ccc(F)cc2)n1 1690047675 WTESVBMSHPRDJP-LJQANCHMSA-N 480.569 2.211 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(OCCC)c(OC)c2)CC1 1690110792 ZQHHSBNMOACYKE-UHFFFAOYSA-N 454.575 2.017 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@]2(OC)CCOC2)CC1 1690137805 JGUJYTGIKZAKSB-AVRWGWEMSA-N 485.560 2.329 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2oc(CCC)nc2C)CC1 1690411898 XHORJTIFUXOXGL-IBGZPJMESA-N 478.619 2.311 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1690677094 MSLUUQAOSSETET-FQEVSTJZSA-N 484.626 2.009 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1690715133 DPLRZPCQGCSZOF-WBVHZDCISA-N 495.989 2.313 30 10 JEEE CC(C)N1CCC[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@H](C(N)=O)C2)C1 1692486194 FKHYJCSEAJTSDJ-PMACEKPBSA-N 451.575 2.161 30 10 JEEE Cc1nn(C)c(C)c1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CC(N)=O)CC1 1693398479 DHFNJELUPGOOBP-UHFFFAOYSA-N 462.558 2.219 30 10 JEEE CCS[C@@H]1CCCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1696548507 DNOONDRJQYEDOL-DENIHFKCSA-N 475.640 2.478 30 10 JEEE C#CCN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC(=C)C)[C@@H]1CCS(=O)(=O)C1 1705562072 YIHADAGFKDBBFB-GOSISDBHSA-N 461.975 2.064 30 10 JEEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1CC1(C)COC1)[C@H]1CCS(=O)(=O)C1 1705569145 ZXKFNRPKNYBEDJ-IBGZPJMESA-N 458.584 2.137 30 10 JEEE C#CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCN1CCC[C@@H]1C 1705622335 FRBRPILGSZVWKI-SFHVURJKSA-N 473.647 2.117 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CC(=O)NCCc2ccccc2)CC1 1705646633 KXTCDQQIEGJTLF-UHFFFAOYSA-N 474.565 2.171 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2CCCc2cnn(C)c2)CC1 1705650615 VVUYNKTZVJENQX-UHFFFAOYSA-N 475.597 2.210 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](c2cccs2)N(C)C)CC1 1705651434 WRICBSPSIKMXSO-NRFANRHFSA-N 494.669 2.470 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)N1CCC[C@@H](C)C1 1705667086 NAOCDTXSVAKTKJ-KGVIQGDOSA-N 450.653 2.391 30 10 JEEE C=C(C)Cn1c([C@H]2CCCCO2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1705725295 RSKHLFPIZAFPQT-MRXNPFEDSA-N 452.606 2.372 30 10 JEEE C=CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1705816599 MESRXHWVJSGZDW-INIZCTEOSA-N 466.633 2.218 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CCN2CCCC[C@@H]2C1 1705937982 KEHWCXAONCWYSL-GOSISDBHSA-N 463.579 2.272 30 10 JEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CC[C@@H](c2cccc(F)c2)C1 1705938482 ZWYSUZORHRPYFL-GOSISDBHSA-N 461.563 2.134 30 10 JEEE C=CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1705942350 PITZMHSMVQKNAK-UHFFFAOYSA-N 471.543 2.293 30 10 JEEE Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCCS(=O)(=O)Cc1ccccc1 1707909863 GPDMQWCFNNMYSH-UHFFFAOYSA-N 465.583 2.185 30 10 JEEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1722342118 RWUMNUQMUNZSMI-IRXDYDNUSA-N 459.576 2.122 30 10 JEEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@@H](C(C)C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1722362720 OCGOQWRNANRWTQ-UGKGYDQZSA-N 489.617 2.068 30 10 JEEE C#CCN(c1nnc([C@@H](CC)c2ccccc2)n1CC1(S(C)(=O)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1722364157 JPQZCJJLHYGWJS-UXHICEINSA-N 490.651 2.024 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CCc1nccnc1C)[C@@H]1CCS(=O)(=O)C1 1722364263 FJYHNHWDQHMIMD-QGZVFWFLSA-N 486.548 2.115 30 10 JEEE C#CCN(c1nnc([C@@H](C)OCCOC)n1CC1CCC(F)(F)CC1)[C@@H]1CCS(=O)(=O)C1 1722367444 WELAIXVPDPSFLP-SJLPKXTDSA-N 474.574 2.454 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCCOc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1722368417 RDPCUJCYQUMGAN-ICSRJNTNSA-N 476.574 2.407 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2cccnc2)n1CCN1CCCS1(=O)=O 1722421569 IOAKLNXWMVLZQY-UHFFFAOYSA-N 468.558 2.078 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H]1CN(CC(C)C)CCO1 1722423712 MNRBDPAZWZGIKM-HXUWFJFHSA-N 455.559 2.117 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cccc(S(=O)(=O)NC)c1 1722468560 NMHITGAAGPTIGR-DNQXCXABSA-N 487.626 2.267 30 10 JEEE C=CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCn2nc(C)nc2C1 1722616422 SQOVEXGSZHLESA-QGZVFWFLSA-N 458.567 2.473 30 10 JEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(N2CCCCC2)CC1 1722628935 CXPPWVYKGUNNFK-IBGZPJMESA-N 451.637 2.228 30 10 JEEE C=CCn1c(C(=O)NC(CC)CC)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1722681988 HWPYJOCALYIYOD-OALUTQOASA-N 459.639 2.009 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cc(C)nn1C 1722682246 YPSRDLZKNCDBDJ-IBGZPJMESA-N 475.594 2.316 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Br)c2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1722724485 XTGJISFCGMAZCU-RDJZCZTQSA-N 494.415 2.023 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCO[C@H](c2ccc(F)cc2F)C1 1722727961 MFEWZYIQVQJNSB-KXBFYZLASA-N 468.526 2.239 30 10 JEEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1722737447 HBDYNWPSRKPASZ-UHFFFAOYSA-N 489.602 2.304 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCO[C@H](C(C)C)C1 1722751817 WBLFZOFCLIDFLA-FQEVSTJZSA-N 464.588 2.424 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](CC)N2CCCC2)c1 1740564190 DRCAXMPSDWXVPH-UNMCSNQZSA-N 498.653 2.111 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1Cc1nc(C)cs1)[C@@H]1CCS(=O)(=O)C1 1740619693 QSNAELICTXESOX-QGZVFWFLSA-N 457.581 2.394 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1cccc(CN(C)C)c1)[C@@H]1CCS(=O)(=O)C1 1740622391 CHTYLKDAWAFBEH-JOCHJYFZSA-N 478.622 2.385 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CC1(OCC)CCCC1)[C@H]1CCS(=O)(=O)C1 1740624772 ALZRQLRBPOJVBX-RBUKOAKNSA-N 450.605 2.496 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN1CCC(C)CC1 1740680886 QXVITSYGMGGXRE-UHFFFAOYSA-N 459.616 2.167 30 10 JEEE C#CCN1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CCCn2cnnn2)CC1 1740700208 KAQQHPOSQPBFJU-UHFFFAOYSA-N 457.995 2.056 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H](C)N(C)c2ccccc2)CC1 1740702951 BNPKIIFTJVDTDX-KDYSTLNUSA-N 494.640 2.421 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@@H](C(N)=O)C1 1740755383 ZYBPIYDTNMGNGV-YRNRMSPPSA-N 471.558 2.264 30 10 JEEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CN2CCOCC2)CC1 1740863541 ALDFJGKNAPTRJS-HXUWFJFHSA-N 451.637 2.085 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c(C)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1)C(C)C 1740924093 GECLYFMEEWQSMY-TUACAJSNSA-N 457.667 2.274 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCC(N(C)C(C)=O)CC1 1740989977 FAHPCGAGADHVQP-UHFFFAOYSA-N 484.626 2.485 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1740992707 LVTGMEOVAJMRFX-UHFFFAOYSA-N 492.621 2.193 30 10 JEEE Cc1nc(CCn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)cs1 1742605402 CQOGWZSHLZBXNR-LJQANCHMSA-N 472.596 2.360 30 10 JEEE CC[C@@H](C)N(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)OC)CC1 1743876125 HTYPUPGOMUXWIA-GOSISDBHSA-N 455.563 2.347 30 10 JEEE CN(C)CC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1747587477 DYRXXDPRSFKIKU-FQEVSTJZSA-N 480.617 2.357 30 10 JEEE CNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C(C)C)N2CCOCC2)CC1 1748196171 AMCQCNTUNXJSBI-JOCHJYFZSA-N 465.602 2.136 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CC3)n2CC2(CS(C)(=O)=O)CC2)c1 1748694754 NEDOEPRGCKKZRB-UHFFFAOYSA-N 455.584 2.112 30 10 JEEE C#CCCCn1c(COc2cccc(C)c2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1748759270 DRQGKKQDYPBZSP-JOCHJYFZSA-N 450.587 2.322 30 10 JEEE C#CCN(c1nnc([C@@H](C)CC)n1CC(=O)N(C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1748804444 HTTAJRARRSNJRP-ICSRJNTNSA-N 457.600 2.077 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1CCN1CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1748820487 CNODGKCLZGBNOS-SFTDATJTSA-N 471.627 2.277 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1OCC(F)(F)F 1748846315 FZLRKSJCQIWTMJ-KRWDZBQOSA-N 466.485 2.242 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCCN1C[C@@H](C)C[C@@H](C)C1 1748892068 INZJPUDPMYYORD-BDTNDASRSA-N 459.660 2.401 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CC(C)(C)CN(C)C)CC1 1749010562 NENXERMRYCDUIP-UHFFFAOYSA-N 480.613 2.270 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(OC)cc3)n2CC2([S@@](C)=O)CCC2)CC1 1749018625 BFKQEJNHCBZFEU-PGUFJCEWSA-N 499.637 2.133 30 10 JEEE C=C(C)COCCn1c(-c2cccc(C)n2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1749223122 QAORIURVOPCBAO-UHFFFAOYSA-N 495.628 2.182 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCC(=O)N2)n1CCN/C(O)=C1\N=CC=CC1=O 1749554800 ZRQQGGNMLXKECT-QQMHEVNUSA-N 467.555 2.010 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(C)nc3ccccc23)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1749652794 SXLHTPSNDHHATC-DLBZAZTESA-N 470.599 2.362 30 10 JEEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(CC)C[C@H](O)c1ccc(C)cc1 1749666144 IAOMMPSARBAGNP-IBGZPJMESA-N 466.542 2.176 30 10 JEEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)Cc2cccc(OC)c2)CC1 1749670061 QTSBGJPAGGMMPT-UHFFFAOYSA-N 468.602 2.069 30 10 JEEE C[C@H](C#N)CN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@]1(O)CCN(C)C1 1750075308 CUHZWNKIMPALQL-UZUQRXQVSA-N 461.611 2.055 30 10 JEEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1760144314 LLSZIXCMYVFHBT-UHFFFAOYSA-N 452.559 2.278 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@H](C)Oc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1760183390 BCUZAYNIEYAVDM-RBUKOAKNSA-N 453.568 2.378 30 10 JEEE C#CCN(c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C/C=C\CC)[C@H]1CCS(=O)(=O)C1 1760185755 CMSMZXUYBOTMJB-IDPBEMBBSA-N 493.630 2.179 30 10 JEEE C#CCN(c1nnc(-c2cn(C)c3ccccc23)n1C[C@H](CC)OC)[C@H]1CCS(=O)(=O)C1 1760186792 AROABUZFJXKSIE-ROUUACIJSA-N 455.584 2.489 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@H](c1ccccc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1760191603 KNFVNDSBMIRWTK-GOTSBHOMSA-N 495.653 2.069 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCOC)[C@@H]1CCS(=O)(=O)C1 1760192046 DCRJSWDKMXFYLP-MSOLQXFVSA-N 481.619 2.013 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1nccc(C(F)F)n1 1760239911 AJLPXDBABAXLIB-CQSZACIVSA-N 493.515 2.443 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccccc2Br)n1CC(=O)NCC(F)F 1760245784 LVQDQIJMGYIZKS-UHFFFAOYSA-N 456.291 2.175 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@]2(N(C)C)CCSC2)CC1 1760269654 ASMANSWOTDAXDL-SANMLTNESA-N 496.681 2.281 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3CC)n2CC[C@H]2COCCO2)CC1 1760272845 AOMSKKQFVNTUMK-QFIPXVFZSA-N 481.597 2.191 30 10 JEEE C=CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(N(C)C(=O)OCC)CC1 1760509435 FWYXORAUZBAYOV-UHFFFAOYSA-N 451.531 2.435 30 10 JEEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CCCN(C(=O)C2CC2)CC1 1760527295 RLAAZMNJFKPEHA-UHFFFAOYSA-N 450.587 2.204 30 10 JEEE COc1cc(Cl)ccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1 1769882252 BSAUJHVIFNAXEW-CYBMUJFWSA-N 452.968 2.339 30 10 JEEE N#Cc1ccc(-c2nnc(N3CCC(CCC(N)=O)CC3)n2CCCN2CCC(O)CC2)cc1 1770732669 HCSPAYDDYRRWJR-UHFFFAOYSA-N 465.602 2.145 30 10 JEEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCC(C#N)CC3)n2Cc2cccc(Cl)c2)C1 1771360926 HOBQVINCLDCOFK-GOSISDBHSA-N 464.979 2.053 30 10 JEEE C=CCNC(=O)[C@H]1C[C@H](O)CN1C(=O)c1cccn(Cc2ccc(Cl)c(Cl)c2)c1=O 1861313949 IUUWASUOYKKRSJ-KBXCAEBGSA-N 450.322 2.081 30 10 JEEE O=C(C1=C(O)C(=O)N(CCO)[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccc(F)cc1F 1862424390 YTTKVEHBUXARDY-GOSISDBHSA-N 462.361 2.215 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(O)c(O)c2)cc1OC 1862569577 PZOHOSXJEVTMKE-QHCPKHFHSA-N 498.532 2.416 30 10 JEEE C#CCOc1cn(CCc2ccc(OC)c(OC)c2)c(CN2CCC3(CC2)OCCO3)cc1=O 1870560053 ZEWLRWFQUFPFEA-UHFFFAOYSA-N 468.550 2.459 30 10 JEEE CC(=O)NCc1nnc(SCC(=O)N[C@H](C)c2ccccc2)n1/N=C/c1ccccc1C(=O)O 1874436242 RWNWKSFEORLEMB-HURLIOHXSA-N 480.550 2.464 30 10 JEEE CCOc1cc(/C=N/n2c(SCC(N)=O)nnc2[C@@H]2CCCO2)cc(Br)c1O 1874444742 JRTLNNOJOUUDKP-WUWVFJBVSA-N 470.349 2.456 30 10 JEEE CC(C)N1C(=O)CS[C@H](C(=O)N2CCC(N3CC[C@@H](O)C3)CC2)[C@H]1c1ccc(C#N)cc1 1892014760 CBEDQXXANIGIDQ-MZYLBHOOSA-N 456.612 2.009 30 10 JEEE CC1(C)OB([C@]23C[C@@H]2CCN(S(=O)(=O)CCN2C(=O)c4ccccc4C2=O)C3)OC1(C)C 1990294679 STEMQOSPTPZGQE-NYHFZMIOSA-N 460.361 2.171 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CO)CNC(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1Cl 2255544853 GXVCQHYWNDXUKY-CYBMUJFWSA-N 454.760 2.255 30 10 JEEE Cc1cc(C(=O)N[C@@H]2COC[C@@H]2NC(=O)OC(C)(C)C)sc1B1OC(C)(C)C(C)(C)O1 2255863485 WVACZFJJSNGNRO-KGLIPLIRSA-N 452.382 2.378 30 10 JEEE CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1COc1nccc(B2OC(C)(C)C(C)(C)O2)c1F 2266002119 HKSAZMRIJXYBOE-OAHLLOKOSA-N 451.348 2.450 30 10 JEEE CC1(C)OB(c2nscc2C(=O)NCC[C@H]2CN(Cc3ccccc3)CCO2)OC1(C)C 2267145936 HOTKAHGNWWQWDE-SFHVURJKSA-N 457.405 2.463 30 10 JEEE CO[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)N(C(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)C1 2267284065 XFEZHOHAKSYRIV-GJZGRUSLSA-N 450.341 2.333 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](NC(=O)c2occc2B2OC(C)(C)C(C)(C)O2)CCO1 2267490688 RUYSXNGJCOZKSW-CABCVRRESA-N 450.341 2.381 30 10 JEEE CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1csc(B2OC(C)(C)C(C)(C)O2)c1 2268723756 ZRFAYEXVCKLYFA-INIZCTEOSA-N 467.441 2.461 30 10 JEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C(C)(C)C2)n1 2281955064 GHEJEHDDXRAXMD-AWEZNQCLSA-N 463.388 2.022 30 10 JEEE Cn1cc(C(=O)N[C@@]23CCC[C@H]2N(C(=O)OC(C)(C)C)CC3)c(B2OC(C)(C)C(C)(C)O2)n1 2281965787 LRJKIYOOESBHTL-WAIKUNEKSA-N 460.384 2.381 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ncc(B3OC(C)(C)C(C)(C)O3)cn1)C2 2282030903 LVOKKWGDOZZGRC-XIRDDKMYSA-N 458.368 2.294 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C)n1 2282043535 KCGFEBFJXLAVFP-LBPRGKRZSA-N 476.305 2.295 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCOC[C@H]2CNC(=O)OC(C)(C)C)n1 2282049476 ZRAREGJPFVIKQG-MRXNPFEDSA-N 461.368 2.055 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@H]2CCN(C(=O)c3occc3B3OC(C)(C)C(C)(C)O3)C[C@H]21 2282051893 KHKSZYMGCXVDLC-IAGOWNOFSA-N 462.352 2.429 30 10 JEEE C[C@H]1CC[C@H](CNC(=O)C(F)(F)F)N(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cn2C)C1 2282190924 KKNSHYXNGIDXTQ-DZGCQCFKSA-N 457.302 2.244 30 10 JEEE CCc1nn(C)c(C(=O)N[C@@H]2CC[C@H]2CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2282559152 NMOJALUVTOLIES-GOEBONIOSA-N 462.400 2.315 30 10 JEEE Cc1ccnc(C(=O)N[C@H]2COCCN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2282565826 PLZQZYOOUNSCMB-MRXNPFEDSA-N 461.368 2.055 30 10 JEEE Cn1cc(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C(F)F)c(B2OC(C)(C)C(C)(C)O2)n1 2282586068 UCSHKJPTACPJSM-SJLPKXTDSA-N 460.334 2.215 30 10 JEEE CC(C)(C)OC(=O)NCC[C@@H]1CN(C(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)CCO1 2282685186 BBEGXNBCGVKELJ-MRXNPFEDSA-N 461.368 2.137 30 10 JEEE CC1(C)OB(c2ccc(C(=O)N[C@H]3COCCN(C(=O)OCc4ccccc4)C3)c(O)c2)OC1(C)C 2282884112 KAXUTJOXSUMYFK-HXUWFJFHSA-N 496.369 2.459 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1CCO[C@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2283956483 KTOLJCQMNSODSS-CZUORRHYSA-N 465.331 2.388 30 10 JEEE CC(C)(C)OC(=O)N[C@@]1(C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)C[C@@H](O)C1(C)C 2284058832 BSAFKDLEDABTLI-QKFKETGDSA-N 461.368 2.374 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N1C[C@H](NC(=O)C(F)(F)F)CC[C@@H]1C 2285200941 SQWMBBCTIYJAHO-DZGCQCFKSA-N 455.286 2.361 30 10 JEEE COc1ccc(CCc2nnc(SCC(N)=O)n2N=Cc2ccc(O)c([N+](=O)[O-])c2)cc1OC 2326183295 QVCNPCRHEKHRDF-UHFFFAOYSA-N 486.510 2.154 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](C1)[C@H](NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C2 2359265826 OKKBCXVIBXMDOR-BFYDXBDKSA-N 460.384 2.474 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@@]2(COCCN2C(=O)[C@@H]2C[C@@H]2B2OC(C)(C)C(C)(C)O2)C1 2359266274 NTWGTNXTGYXZSM-SAHWJRBASA-N 466.384 2.334 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@H]2C[C@@H](NC(=O)c3cnsc3B3OC(C)(C)C(C)(C)O3)C[C@H]21 2369093101 RPRAITJJKNQGPR-NUEKZKHPSA-N 479.408 2.339 30 10 JEEE C#CCn1/c(=N\C(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)sc2cc3c(cc21)OCCO3 101132752 AUPPCOMKYTWPRE-CTBAPTLKSA-N 489.600 2.449 30 10 JEEE COCCCN1C(=O)C(=O)/C(=C(\O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@@H]1c1ccc(O)cc1 102911054 FHUNSXWVPIYAEE-LCPUNJGISA-N 474.535 2.101 30 10 JEEE CCOCCCn1c(=C(C#N)C(=O)Nc2ccc3c(c2)OCCO3)sc(=Cc2ccccc2)c1=O 480177316 BTBNJFIZALSIQO-UHFFFAOYSA-N 491.569 2.249 30 10 JEEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(=O)n(Cc3ccc(Cl)c(Cl)c3)c2)C1=O 523413802 MLOOUYPZWYEYBS-UHFFFAOYSA-N 463.277 2.119 30 10 JEEE N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccccc2)c(=O)n1-c1ccc2ccccc2c1 603998566 COCQQOGXXWMWMK-UHFFFAOYSA-N 467.550 2.414 30 10 JEEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1-c1ccc(OC)c(F)c1 608827899 BQTANNYDHRFCQM-UHFFFAOYSA-N 451.523 2.466 30 10 JEEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C\c1ccccc1 1148506280 WAAOLIFIFOBGDM-FPSYCBIVSA-N 452.598 2.090 30 10 JEEE C#CCCCn1c(Cc2c(F)cccc2F)nnc1N1CCC(CNS(C)(=O)=O)CC1 1286351409 QPQLIWISVPAVCM-UHFFFAOYSA-N 451.543 2.326 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCO[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1286385159 VEILMCNCNHDJMG-MBOZVWFJSA-N 473.555 2.295 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1CC1(CCOC)CCCC1)[C@H]1CCS(=O)(=O)C1 1286398676 MKDLKUJVTPIVEY-RBUKOAKNSA-N 450.605 2.353 30 10 JEEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCc1ccc(S(C)(=O)=O)cc1 1286400405 FPGYMGRTLBYHML-XMMPIXPASA-N 470.595 2.038 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1c(C)nn(Cc2ccccc2)c1C 1286464941 HHUZDSIVZSGVTR-QFIPXVFZSA-N 461.570 2.225 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2cccnc2OCCC)CC1 1286495290 XYDGSEKGIHJSTA-OAQYLSRUSA-N 466.586 2.370 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(CC)CC)n1CC1CCN(CCN(C)C)CC1 1286514356 FPJHSXUYTFOPNL-RUZDIDTESA-N 457.667 2.462 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1286778862 BLSRJOWKTYSFHX-CYBMUJFWSA-N 475.351 2.413 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@@H](C)[C@@H](O)C1 1286782398 SUNNEBMQLIOQNL-DYVFJYSZSA-N 464.364 2.226 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCN(Cc2csc(C)n2)CC1 1286793372 WZRXUCCXZKFFNC-UHFFFAOYSA-N 485.589 2.386 30 10 JEEE C[C@H](C#N)CN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ccc(S(C)(=O)=O)cc1 1286967395 DMOUXTOIJUPZGY-GOSISDBHSA-N 494.625 2.500 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCS(C)(=O)=O)C1 1287071828 CIJDVRIDOCTGQV-SFHVURJKSA-N 474.587 2.355 30 10 JEEE CC[C@H](C)N(C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1291773288 FLUUUBVHNKNTKK-NZQKXSOJSA-N 499.685 2.104 30 10 JEEE CCS(=O)(=O)N(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCOC2(CCC2)C1 1297729267 FKBLRYFYIWYUAB-UHFFFAOYSA-N 458.588 2.248 30 10 JEEE CN(C)C(=O)COc1cccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCC[C@@](C)(C#N)C2)c1 1298016760 BOCZDIXMJNHESZ-VWLOTQADSA-N 479.585 2.159 30 10 JEEE CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nccc(C(F)F)n2)CC1 1299273553 DVBZJEYJNKDLLX-UHFFFAOYSA-N 453.457 2.054 30 10 JEEE C#CCN(c1nnc(C2CCN(c3ncccn3)CC2)n1CCCCC=C)[C@H]1CCS(=O)(=O)C1 1300495039 BYMHGUVUOCHCJS-NRFANRHFSA-N 483.642 2.435 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CCc1ccc(OC)c(Br)c1 1300665458 JSOAJCOUIUJLKM-KRWDZBQOSA-N 476.375 2.329 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Br)n2CC(C)(C)O)CC1 1300719245 SZULRMYOKJFJCB-UHFFFAOYSA-N 460.376 2.444 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)Nc2ccccn2)n1C[C@@]1(O)CCOC1 1301348625 AJSGRIGYZXVKPG-QHCPKHFHSA-N 452.490 2.409 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](C(=O)OC)C1 1301520956 VJNSLFTWZHGPDT-IRXDYDNUSA-N 476.578 2.042 30 10 JEEE C=CCOc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C2CCC2)cc1 1301525007 FLRUPTVVSWBFFU-HXUWFJFHSA-N 461.588 2.213 30 10 JEEE N#Cc1ccc(OCc2nnc(N3CCC[C@@H](N4CCCS4(=O)=O)C3)n2CC(F)(F)F)cc1 1302993564 DTMYJWRSVANGIX-MRXNPFEDSA-N 484.504 2.295 30 10 JEEE C#CCN1CCC[C@@H](NC(=O)N2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)C1 1313282355 OLJHCPFRADHIBH-MRXNPFEDSA-N 459.399 2.107 30 10 JEEE C#CCN(c1nnc(-c2csc(N3CCOCC3)n2)n1CCCCC=C)[C@H]1CCS(=O)(=O)C1 1358960931 OKMRTJNYOMIFOH-SFHVURJKSA-N 490.655 2.221 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CCc1cc(C)ccc1OC)[C@@H]1CCS(=O)(=O)C1 1358965126 OKARSIPAYIEODG-JOCHJYFZSA-N 479.606 2.450 30 10 JEEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1C[C@H](c1ccc(OC)cc1)N1CCCC1 1358981591 PZFZKLJSJAEDOW-HSZRJFAPSA-N 460.582 2.319 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccncc1 1359016984 QKMZIMXJUXPSMJ-QFIPXVFZSA-N 498.584 2.028 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC(=O)NCc2ccco2)CC1 1359036755 HWFQUKBYXYMIJE-UHFFFAOYSA-N 452.946 2.187 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(OC)cc2)CC1 1359037897 BXIYNNANRCRTBC-UHFFFAOYSA-N 450.568 2.082 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC2([S@](C)=O)CCC2)CC1 1359042779 UAHLXIPUDSTAJI-YTTGMZPUSA-N 475.018 2.261 30 10 JEEE C=C(Br)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1359078382 ACRJGPXOIAMQMW-UHFFFAOYSA-N 484.402 2.470 30 10 JEEE C=C(C)COCCn1c([C@H]2CCCCO2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1359133573 VFSCNKOAWRSRMD-OAQYLSRUSA-N 460.623 2.247 30 10 JEEE C=C(Cn1c([C@H](C)OCCOC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1)c1ccccc1 1359137774 ANEQOUKLKQUWAG-AZUAARDMSA-N 468.558 2.188 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC1(O)CCC1 1359261129 XOLQKCYUUVEVCG-FQEVSTJZSA-N 493.605 2.248 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1359295052 NTJLLKWDEXWVTI-QGZVFWFLSA-N 489.418 2.168 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2ccc(OC)c(OC)c2)C1 1359321390 FWBOAGIEWFFJNW-RBUKOAKNSA-N 476.599 2.221 30 10 JEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1359342901 HEPBANJBCKXTRM-ZWKOTPCHSA-N 453.678 2.410 30 10 JEEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)cc1 1442268269 VBQBCKSRSFVSAV-QHCPKHFHSA-N 454.527 2.055 30 10 JEEE N#C[C@]1(F)CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Br)s3)C2)C1 1459015549 GVUQJSBSHZXCMQ-XHDPSFHLSA-N 450.355 2.375 30 10 JEEE C#CC[C@@]1(C(=O)NCc2ccc(CN3C(=O)CNC3=O)cc2)CCCN1C(=O)OC(C)(C)C 1471270701 DNTSHEDVPHVDQC-DEOSSOPVSA-N 454.527 2.148 30 10 JEEE CO[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2C#N)CC1)C(C)(C)C 1503983557 CICSBFVGQQRFMW-TZIWHRDSSA-N 486.642 2.440 30 10 JEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1nc(O)c2sccc2n1 1507555783 BLNAEWWPGVIKMB-ZDUSSCGKSA-N 463.589 2.039 30 10 JEEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCNc1ccc(C(F)(F)F)cn1 1507616548 KUAMGKONGTZOJQ-CQSZACIVSA-N 456.494 2.166 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccc(C(F)(F)F)cc1C)[C@@H]1CCS(=O)(=O)C1 1507623098 RBHSKDIZFPAFRC-GOSISDBHSA-N 497.543 2.419 30 10 JEEE C#CCN(c1nnc(CC2CCCC2)n1CC1(C(=O)N(C)C)CCCC1)[C@H]1CCS(=O)(=O)C1 1507635047 PDLODDCSERYXTJ-FQEVSTJZSA-N 475.659 2.286 30 10 JEEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1Cc1nc2cc(OC)ccc2n1C 1507661129 NHOQJDSPRBTNFO-VWLOTQADSA-N 462.554 2.337 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccn2C)n1CCNS(=O)(=O)c1ccc(C)s1 1507667933 YQCYKBNWQBDLCJ-UHFFFAOYSA-N 456.597 2.095 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(Br)cc2)n1CCCS(C)(=O)=O 1507705479 DKVMTECNRBNOMV-UHFFFAOYSA-N 455.378 2.228 30 10 JEEE C#CCSCCn1c(N2CCN3C(=O)OC[C@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1507758962 WQWXOOAJYAPLMA-IXDOHACOSA-N 476.603 2.056 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](O)(c2ccc(C)cc2)C1 1507806034 NWFXLTKEYZLZLV-OBFMXLEASA-N 489.642 2.276 30 10 JEEE C=CCC(C)(C)Cn1c(-c2cccc(Br)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1507911121 HKWLXTYJEOGQGR-KRWDZBQOSA-N 487.402 2.457 30 10 JEEE C=CCC(C)(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)CC(=O)N1CCOCC1 1507912069 DDAZEEBMJFMOEJ-UHFFFAOYSA-N 489.646 2.136 30 10 JEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1507953216 FFSBDHNOBQFZKZ-QZTJIDSGSA-N 498.650 2.023 30 10 JEEE C=CCn1c(COc2ccccc2OCC)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1508070534 AIYXPPBTCMUOOB-GOSISDBHSA-N 461.588 2.446 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 1508084941 DIVVCBMDAFXHGO-FQEVSTJZSA-N 452.481 2.480 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H](C)N(C)C)C1 1508121738 ABPKSPGAXHCFPR-IPMKNSEASA-N 464.611 2.318 30 10 JEEE Cc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CC[C@@](F)(C#N)C2)c(O[C@H]2CCOC2)c1 1510860979 FUPRHWVGJKEGKX-FDDCHVKYSA-N 456.522 2.383 30 10 JEEE CCc1ccc(-c2nnc(N3CCN(c4c(C#N)c(C)nn4C)CC3)n2CC(=O)NCC(F)F)cc1 1513650252 CPOQHPCCFTYWSI-UHFFFAOYSA-N 497.554 2.129 30 10 JEEE CN(C)CCOc1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CC[C@](F)(C#N)C2)cc1 1517008501 CTEZCEWJMPIFAH-DEOSSOPVSA-N 478.532 2.356 30 10 JEEE N#C[C@H]1CN(c2nnc(-c3ccc(Br)s3)n2Cc2ccc(C(N)=O)nc2)CCO1 1521121099 GZQPEQUSPGAOAB-LBPRGKRZSA-N 474.344 2.040 30 10 JEEE C=CC[C@@H](Cc1ccccc1)NC(=O)c1cccc(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 1525236815 ZPMHPCRLAXJORX-QFIPXVFZSA-N 455.580 2.457 30 10 JEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2cccc(Cl)c2)CC1 1539053186 MFEDYPCLIOMCFI-QGZVFWFLSA-N 493.033 2.308 30 10 JEEE C#CCCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1539059500 QCIPXTZDIDPATD-LJQANCHMSA-N 454.552 2.147 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CC(C)(C)OCC)[C@@H]1CCS(=O)(=O)C1 1539204766 DBZIKDNEJIRYDX-OAHLLOKOSA-N 484.420 2.478 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCCOCC)[C@@H]1CCS(=O)(=O)C1 1539206765 VVMXSWPYYDLPLO-OAHLLOKOSA-N 470.393 2.089 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1CCOc1ncccc1Cl)[C@@H]1CCS(=O)(=O)C1 1539210581 FFZJZHDOJYGUQN-MRXNPFEDSA-N 474.974 2.038 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H](C)COc1ccccc1OC)[C@H]1CCS(=O)(=O)C1 1539219796 FMHFFHKOLDETFE-ZCNNSNEGSA-N 488.610 2.132 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1Cc1ccc(F)cn1)[C@@H]1CCS(=O)(=O)C1 1539229773 IBTKIHVOQFUGOO-HXUWFJFHSA-N 469.542 2.375 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1539612782 PUBJLGGBQHXYCD-PMACEKPBSA-N 473.622 2.079 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(OCCN2CCCC2)CC1 1539803076 DJIPQJQYSGMBQR-QGZVFWFLSA-N 458.028 2.014 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC2(CC1)CNC(=O)C2)C(C)C 1540152139 QCELIINFYCFYRT-UXHICEINSA-N 469.634 2.034 30 10 JEEE C=CCN(CC=C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN1CCOCC1(C)C 1540164805 WKJJDWLGWKRUQM-UHFFFAOYSA-N 463.586 2.481 30 10 JEEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCOCC2(CC2)C1 1540870025 CVBCKRJDKWIIBF-UHFFFAOYSA-N 474.606 2.312 30 10 JEEE CC(=O)N[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)NC(C)(C)C)C1 1541039846 IAILGIAKGJHKJC-LJQANCHMSA-N 467.574 2.138 30 10 JEEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)C2CC2)CCN1CC(F)(F)F 1544721914 DHAXFGASDNNCQA-HNNXBMFYSA-N 461.492 2.416 30 10 JEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](CNS(=O)(=O)C2CC2)C1 1556897647 PNVPDOKFZRLGEZ-ZBFHGGJFSA-N 450.001 2.343 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1[C@@H]1C[C@H]1CF)[C@H]1CCS(=O)(=O)C1 1588034625 JIECHBLTYBUTIT-YESZJQIVSA-N 478.546 2.128 30 10 JEEE C#CCN(c1nnc(COc2ccccc2OCC)n1C[C@@]1(C)CCCO1)[C@H]1CCS(=O)(=O)C1 1588069704 SPRWINZPWTVUKU-YADARESESA-N 488.610 2.452 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCCN1CCCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1588073705 BSTIURAJHKLLFK-NJDAHSKKSA-N 463.648 2.411 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2CCCN2C[C@@H](C)O[C@H](C)C2)CC1 1588780971 ZHBOPKQMPOJMCX-NHCUHLMSSA-N 452.603 2.208 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2Cc2c(CC)nn(C)c2OC)CC1 1588955454 XRKLXNFJTOLKJI-UHFFFAOYSA-N 489.624 2.382 30 10 JEEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1589088585 AUPRCNQRFNUTKV-UHFFFAOYSA-N 496.662 2.282 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)NC)CC1)C(C)C 1595171354 UWUXOPNWOFNYSA-RTWAWAEBSA-N 459.639 2.332 30 10 JEEE C=CCNC(=O)Cn1c(Cn2ccc3ccccc32)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1595569147 ASUNTCVOXPLJHF-BGYRXZFFSA-N 465.602 2.129 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1595772569 CRGNBYXFQNHCTB-SFHVURJKSA-N 495.049 2.143 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1595776472 APTPPHBPSPLUED-GOSISDBHSA-N 457.600 2.349 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC(n2cc(Cl)cn2)CC1 1595797723 IABFTOFAUGXARW-HNNXBMFYSA-N 454.984 2.074 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N(C)CC(=O)Nc1cccc(C)c1C 1595831957 ZYNWYUZHDKITFK-LJQANCHMSA-N 461.588 2.422 30 10 JEEE C=CCSCCn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1595878347 NVHUALWMRRPRLQ-NRSPTQNISA-N 462.664 2.080 30 10 JEEE CN(C)C(=O)C1(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CC[C@@](F)(C#N)C2)CCCC1 1617563946 HEBYSRCQFZENOD-HSZRJFAPSA-N 488.589 2.439 30 10 JEEE COCC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC2CCOCC2)CC1 1619553068 BJYREFQGEPMZLE-UHFFFAOYSA-N 452.559 2.365 30 10 JEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC([C@@H]2C(=O)Nc3ccccc32)CC1 1632084097 BWMOCKOOCMTXKA-VFNWGFHPSA-N 452.536 2.200 30 10 JEEE C#CCNS(=O)(=O)N1CCN(C(=O)c2csc(-c3cccc(C(F)(F)F)c3)n2)CC1 1636475631 QKIOFIBUJQUULF-UHFFFAOYSA-N 458.487 2.054 30 10 JEEE C=CCN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2COC[C@H]2O)c1 1636758848 ZLAJAEIIUOANNB-WOJBJXKFSA-N 466.943 2.219 30 10 JEEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1689921140 WACKMLDFOGBOQP-UHFFFAOYSA-N 463.546 2.391 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1CC1CCN(C(C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1689986496 REKQTKOWIMVXOW-NRFANRHFSA-N 469.611 2.139 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)s3)n2CCCC(=O)N(C)C)CC1 1690115743 REZASFOSWBUNMR-UHFFFAOYSA-N 465.421 2.393 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(CC(N)=O)CC1 1690251352 TXEDDPHTTOHNHK-UWJYYQICSA-N 472.615 2.343 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2cc(C)no2)CC1 1690420000 HVRHNQPOGPQJKU-QGZVFWFLSA-N 465.624 2.109 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[C@H](N2CCCC2)C1 1690661690 DHYRKNUHYOGTOW-IBGZPJMESA-N 484.601 2.338 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Br)cc2)nnc1N1CC[C@@](F)(C#N)C1 1690676018 MZSPYDBRRSAATC-LJQANCHMSA-N 463.311 2.364 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCN(Cc2cccs2)CC1 1690727205 XBSDXWUXENLFBG-UHFFFAOYSA-N 472.640 2.248 30 10 JEEE CO[C@]1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCCC[C@@H](S(C)(=O)=O)C2)CCOC1 1697227658 BDSLBXXCFPZFNZ-KNQAVFIVSA-N 459.572 2.026 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(I)cc1 1705494512 BCGKCRIKZVBYRN-UKRRQHHQSA-N 484.363 2.291 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(CSc2ccccc2OC)n1C[C@H]1CCN(S(C)(=O)=O)C1 1705506390 XCPKEMIWNPPRCU-SJORKVTESA-N 463.629 2.318 30 10 JEEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1705519923 BNUGRYJVWRHROL-INIZCTEOSA-N 455.544 2.342 30 10 JEEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCn1cc([C@H]2CCOC2)cn1 1705544276 KRBNLKUPCAQZFH-KRWDZBQOSA-N 466.542 2.441 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCOC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1705562127 XYLGXEFOOXYHEK-SFHVURJKSA-N 461.544 2.295 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC1(CCOC)CCCC1)[C@H]1CCS(=O)(=O)C1 1705566676 PIQKZXJIPWITMV-UXHICEINSA-N 464.632 2.396 30 10 JEEE C#CCN(c1nnc(CCOc2ccccc2)n1C[C@@H]1CCC[C@@H]1OC)[C@@H]1CCS(=O)(=O)C1 1705568270 KANLIKXECVZDPB-VWPQPMDRSA-N 472.611 2.341 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@@H]1CC=CCO1)[C@@H]1CCS(=O)(=O)C1 1705569526 DPBAEPDEJALEIT-SJORKVTESA-N 462.522 2.119 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1705592916 YCQIUIBOOLBTCH-OAQYLSRUSA-N 491.411 2.029 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccn3C)n2CC2CCN(C(C)=O)CC2)n1 1705631936 SQYNNSMYXITCIF-UHFFFAOYSA-N 478.601 2.025 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(S(C)(=O)=O)CCC1 1705669598 QICVIQRJCYTRGR-IFMALSPDSA-N 450.605 2.278 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3ccccc3n2)nnc1N1CCN(C(=O)C(C)C)CC1 1705933153 WHYBZDAVBJKCNF-UHFFFAOYSA-N 482.610 2.399 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCN(c2cccc(O)c2)CC1 1705933314 BUUYLPVVFUFNDM-UHFFFAOYSA-N 457.556 2.480 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@H](NC(C)=O)C1 1705934299 IFTWKGORVQBIKW-KRWDZBQOSA-N 456.572 2.132 30 10 JEEE Cc1ccc(NC(=O)c2nnc(N3CCO[C@H](C#N)C3)n2CCNC(=O)C(C)(C)C)cc1C 1707521709 ANEDYTIQZZGKMR-GOSISDBHSA-N 453.547 2.038 30 10 JEEE CCC[C@H](C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N2CCNC2=O)CC1 1709459466 BMWCMVOKZZFMGH-SFHVURJKSA-N 478.601 2.363 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CC(C)(C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1722360908 WVPTTWPKBQAWDX-QFIPXVFZSA-N 485.654 2.245 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CC(C)(C)c1ccccn1)[C@@H]1CCS(=O)(=O)C1 1722369270 XBXMKJWCDUUFMI-RBUKOAKNSA-N 457.600 2.172 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2cccc(C(C)(C)O)c2)CC1 1722452013 AOYTYVQVIVPCFN-GMAHTHKFSA-N 495.624 2.244 30 10 JEEE C#CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCNC(=O)[C@H]1CC 1722464573 KIYFNYRBEDVSMX-SJORKVTESA-N 462.620 2.431 30 10 JEEE C#CCSCCn1c(COc2ccc(OC)cc2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1722465216 GEKYQTSBYWHPPK-UGKGYDQZSA-N 471.627 2.389 30 10 JEEE C=C(Br)Cn1c(C2CC2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1722482902 DFLYCYUIOPTQME-RDTXWAMCSA-N 451.413 2.443 30 10 JEEE C=C(Br)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@H](C)[C@@H](O)C1 1722485347 RRTDYWIBHPNVOK-WBMJQRKESA-N 459.348 2.308 30 10 JEEE C=C(C)COCCn1c(-c2cccc(OC)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1722530979 KXEDRIOSSUWCLN-IBGZPJMESA-N 454.531 2.019 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1722581539 DOBQPAQLZMJKKR-SJORKVTESA-N 454.641 2.232 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@](C)(O)c2ccc(F)cc2)CC1 1722582191 MKFNECNEPUPXNQ-NFBKMPQASA-N 493.605 2.060 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(c2ncc(F)cn2)CC1 1722689699 XHHLQHMUBJKEBP-FQEVSTJZSA-N 464.549 2.378 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(Cc2cc(C)no2)CC1 1722689992 CFGABRSGHCHZOK-GOSISDBHSA-N 483.548 2.478 30 10 JEEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNC(=O)c2occc2C)CC1 1722781946 LMHYYJXLFKTPQO-UHFFFAOYSA-N 461.526 2.207 30 10 JEEE C[C@H](Oc1ccccc1F)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@]1(O)CCS(=O)(=O)C1 1724004467 BFFNWKLQWCUSCD-USCONSEESA-N 477.562 2.237 30 10 JEEE COCC[C@](C)(O)Cn1c(-c2cccn2C)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1730628597 FFJLPESSAAZTEP-DEOSSOPVSA-N 467.549 2.408 30 10 JEEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCN(C(C)=O)C2)C[C@H]1C 1730788336 FQOFCVPIFBIHKB-KNQAVFIVSA-N 465.602 2.232 30 10 JEEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1740567209 OWHNSQCCTPNAAI-KRWDZBQOSA-N 463.546 2.304 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1CCC1(O)CCC1)[C@H]1CCS(=O)(=O)C1 1740619372 NSZFONSDPDWDKH-KRWDZBQOSA-N 480.537 2.478 30 10 JEEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1CCn1cc(Br)cn1 1740658875 QWZFEJCKSOCVBP-UHFFFAOYSA-N 486.399 2.392 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@](C)(O)c2ccco2)CC1 1740701364 DVRYACQFSUCNLY-RUZDIDTESA-N 458.522 2.283 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCCN2CCC(O)CC2)CC1 1740707263 WDSVFVXOOPHMON-UHFFFAOYSA-N 499.059 2.335 30 10 JEEE C#CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1C[C@H](C)O[C@@H](COC)C1 1740715592 CJRFCIKIVMPPDV-JKSUJKDBSA-N 454.556 2.200 30 10 JEEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H](C)CS(C)(=O)=O 1740822741 OMYBKYBJBUCBQR-CABCVRRESA-N 478.015 2.208 30 10 JEEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@]1(O)CCS(=O)(=O)C1 1740928763 UJOGWLSFLGVDDX-HXUWFJFHSA-N 452.964 2.335 30 10 JEEE C=CCOc1ccc(Cn2c(-c3ccc[nH]3)nnc2N2CCCN(S(C)(=O)=O)CC2)cc1 1740965549 APWUDQWPOOEPOZ-UHFFFAOYSA-N 456.572 2.358 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Br)c2)nnc1N1CCN(CCOC)CC1 1740987867 ZLIHCHQKBCYFMA-UHFFFAOYSA-N 498.447 2.077 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1740991687 BQWTXCKVJXCATB-OALUTQOASA-N 497.662 2.466 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@@H](OCC)C1 1740992511 HMGWJPKJWJCTNL-LJQANCHMSA-N 458.588 2.123 30 10 JEEE CC(C)C(=O)NC[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N2CCOCC2)C1 1741281752 HGCIWHKVEKLVRR-OAQYLSRUSA-N 493.612 2.054 30 10 JEEE CC(C)CC[C@@](C)(O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1741497577 FQRUESUSQODNIS-NTKDMRAZSA-N 466.590 2.010 30 10 JEEE CC[C@@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1743886612 AZUHDOQHSHLESB-VQIMIIECSA-N 458.588 2.135 30 10 JEEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(c2cnn(C)c2)CC1 1748703665 VZCQKOLGOMPKNR-UHFFFAOYSA-N 496.641 2.059 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1CCCSC)[C@H]1CCS(=O)(=O)C1 1748804471 IGRWXZSAVZXEOY-HNNXBMFYSA-N 486.461 2.426 30 10 JEEE C#CCN(CCOC)c1nnc(COc2ccc(Br)cc2)n1C[C@H]1CCS(=O)(=O)C1 1748969767 ZUQKDRPJDXMEOP-MRXNPFEDSA-N 497.415 2.140 30 10 JEEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1749032173 XGYSKEHIUODDNS-UHFFFAOYSA-N 486.598 2.357 30 10 JEEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1749115905 XENMFMJCMIURHO-IHRRRGAJSA-N 496.328 2.416 30 10 JEEE COCCN(CCC#N)c1nnc(-c2cc(OC)ccc2Br)n1C[C@]1(O)CCN(C)C1 1749824387 GXTXCNZDPSMSLH-NRFANRHFSA-N 493.406 2.149 30 10 JEEE Cc1cccc(OCCn2c(C(=O)NC(C)C)nnc2N2CCN(c3nccnc3C#N)C[C@@H]2C)c1 1751651894 GNABPRRTUWHYBU-IBGZPJMESA-N 489.584 2.181 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1Cc1cc(F)ccc1F)[C@H]1CCS(=O)(=O)C1 1760182341 IRSCVPYQNZIPLY-SFHVURJKSA-N 479.553 2.150 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1cccc(OCC)c1)[C@@H]1CCS(=O)(=O)C1 1760191053 ZXZORIGHSACTJV-OAQYLSRUSA-N 465.579 2.338 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1(O)CCN(C(C)C)CC1 1760208135 KIXGZJXHKNSQKN-OYRHEFFESA-N 484.645 2.357 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H]2CCN(CC)C2)CC1 1760266956 BZRODUKNMDYTSG-KRWDZBQOSA-N 455.994 2.301 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@@H](c2ccc(F)c(F)c2)C1 1760514482 HEHXFGHGHRTRJX-LJQANCHMSA-N 476.528 2.355 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2nccc(C(F)(F)F)n2)C1 1760542935 OOYMORRVMSTKQO-UONOGXRCSA-N 451.453 2.062 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(OC)cc2)nnc1N1CCOCC2(CCC2)C1 1760558286 LHZLERLOHGINSR-UHFFFAOYSA-N 476.599 2.473 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1764127129 BMZHJFOIBKRQCD-MZNJEOGPSA-N 484.580 2.307 30 10 JEEE CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H]1CCCc2c1cnn2C 1768258429 DFTLIBJBRSCXTH-FQEVSTJZSA-N 483.598 2.411 30 10 JEEE CN(CCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCO[C@H](C#N)C1)CC(F)(F)F 1768888736 FLJAHLNUWZMDCC-CQSZACIVSA-N 476.463 2.207 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)C(=O)Nc2ccc(C(N)=O)cc2)c(C(=O)OCC)c1C 1860748898 MRLHJMWCWOUEJU-UHFFFAOYSA-N 459.480 2.252 30 10 JEEE COC(=O)c1ccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2CCCN2CCOCC2)cc1 1862563316 AJXKPVNBDVJEKB-JOCHJYFZSA-N 479.533 2.356 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(OC)c(O)c2)cc1 1862692026 BNNQIUTXUSDHRQ-JOCHJYFZSA-N 468.506 2.320 30 10 JEEE Cc1nnc2sc(CCC(=O)N[C@H](Cc3ccc(O)cc3)C(=O)Nc3cccc(C#N)c3)nn12 1867041818 JNSBLUSVMLKLAD-LJQANCHMSA-N 475.534 2.370 30 10 JEEE Cc1cc(C(=O)Nc2c(C#N)nnn2Cc2cc([N+](=O)[O-])cc3c2OCOC3)ccc1[N+](=O)[O-] 1870111178 BTFMEARHFXPNKL-UHFFFAOYSA-N 465.382 2.442 30 10 JEEE C=CCn1cc(OCC(=O)Nc2ccc(F)cc2)c(=O)cc1CN1CCN(C(=O)OCC)CC1 1870732427 GTSWSNPJJPLYHM-UHFFFAOYSA-N 472.517 2.465 30 10 JEEE CCCCCCCCN1C[C@@H](C(=O)N2CCC(C(=O)NCCN3C(=O)CSC3=O)CC2)CC1=O 1872926256 NHYXNSIFZJNDIR-IBGZPJMESA-N 494.658 2.246 30 10 JEEE CCOc1cc(/C=N/n2c(CCOC)nnc2SCC(=O)NCc2ccco2)ccc1O 1874470630 FJKASAYATJHNGS-FSJBWODESA-N 459.528 2.455 30 10 JEEE CC(C)(C)OC(=O)N[C@]1(C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2F)C[C@H](O)C1 1879110140 VKDPISHVICNSDZ-XLOAEROZSA-N 450.316 2.482 30 10 JEEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)c1cc(Br)nn1C 1965778409 YOKUJCGEXSZBCF-UHFFFAOYSA-N 461.382 2.206 30 10 JEEE C=CCNC(=O)[C@@H](C)S(=O)(=O)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 2019021002 RZDKJPBFYRLGAX-VFNWGFHPSA-N 486.546 2.084 30 10 JEEE CN(C(=O)OC(C)(C)C)C1CN(S(=O)(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2255751228 XJNINIGEQCSARP-UHFFFAOYSA-N 452.382 2.226 30 10 JEEE CC1(C)OB(c2cnsc2C(=O)N[C@H]2CCOC[C@@H]2NC(=O)OCc2ccccc2)OC1(C)C 2255842980 ZVWKLVMDDJKNPB-ROUUACIJSA-N 487.387 2.256 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@H]1NS(=O)(=O)c1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2255951223 AXYPVMPMYWUAKF-JKSUJKDBSA-N 456.345 2.069 30 10 JEEE C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)n1 2256619493 ZJBPWHFNERTYPH-BXUZGUMPSA-N 455.748 2.247 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(CNC(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)s1 2256666367 RTCQWKVHMNAEAO-HNNXBMFYSA-N 454.398 2.248 30 10 JEEE CC(C)(C)OC(=O)NCC1(NC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)CCOCC1 2267170601 XVMWSPRRZDHFKM-UHFFFAOYSA-N 467.397 2.246 30 10 JEEE CNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2267361685 GLXJKGCMIOJIKN-UHFFFAOYSA-N 462.352 2.062 30 10 JEEE CC(C)(C)OC(=O)NCC1(O)CN(C(=O)c2cc(Cl)ccc2B2OC(C)(C)C(C)(C)O2)C1 2267493259 HDEVFDGPQWGDIO-UHFFFAOYSA-N 466.771 2.351 30 10 JEEE CC1(C)OB(c2cccc(S(=O)(=O)NC3[C@@H]4CN(Cc5ccccc5)C[C@@H]34)c2)OC1(C)C 2267714373 XIPKBPAUOQHVGM-NHCUHLMSSA-N 454.401 2.395 30 10 JEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N=c1nc(CNC(=O)OC(C)(C)C)[nH]n1C 2281971052 GORJKCKKYPVCDD-UHFFFAOYSA-N 477.396 2.183 30 10 JEEE CCn1cc(C(=O)N[C@@H]2C[C@H](F)CN(C(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2282033339 SDZVOBSIHSVYLL-LSDHHAIUSA-N 466.363 2.280 30 10 JEEE C[C@H]1CC[C@@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282035057 PUAXGKPFQPRXKM-HOTGVXAUSA-N 462.400 2.485 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@]2(CCN(C(=O)c3nscc3B3OC(C)(C)C(C)(C)O3)C2)C1 2282151549 SGKOWRFVBCMVOW-JOCHJYFZSA-N 479.408 2.294 30 10 JEEE C[C@@H]1CCN(C(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)C[C@@H]1CNC(=O)OC(C)(C)C 2282553223 WITNMYZRSAIGOI-CVEARBPZSA-N 462.400 2.342 30 10 JEEE CC[C@@H]1CC[C@H](NC(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)CN1C(=O)OC(C)(C)C 2282612358 SWFAXDVHCNIXKQ-LSDHHAIUSA-N 463.388 2.022 30 10 JEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2CN(Cc3ccccc3)CC2(C)C)n1 2282612906 WTTFYRLYPQEMID-GOSISDBHSA-N 453.396 2.002 30 10 JEEE CC(C)(C)OC(=O)N1CC2(COC[C@H](CNC(=O)[C@H]3C[C@H](B4OC(C)(C)C(C)(C)O4)C3)O2)C1 2282626123 DVWCHBGCUUDVCX-ULQDDVLXSA-N 466.384 2.380 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)CC[C@@H]1CO 2282658605 YZOFLUWCDUWLAP-VQIMIIECSA-N 460.380 2.334 30 10 JEEE CC1(C)OB(c2scnc2CS(=O)(=O)N2C[C@H]3CN(Cc4ccccc4)C[C@@H]3C2)OC1(C)C 2282831383 JOQBVKJTGSQSIB-RTBURBONSA-N 489.472 2.336 30 10 JEEE CC[C@@H](CN(CC)S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2282837636 WENGHVWEDIOTAU-HNNXBMFYSA-N 486.444 2.033 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C1 2283946994 UYJNAMFGDZZMAY-RBUKOAKNSA-N 458.364 2.198 30 10 JEEE Cn1cc([C@@H](NC(=O)OC(C)(C)C)C(=O)NCc2sccc2B2OC(C)(C)C(C)(C)O2)nn1 2283968412 KJWNANDWAIFOOY-MRXNPFEDSA-N 477.396 2.058 30 10 JEEE CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1CCc2cccc(B3OC(C)(C)C(C)(C)O3)c2C1 2284040760 OWQHORSJMYKDDM-IBGZPJMESA-N 460.380 2.146 30 10 JEEE CC(C)(C)OC(=O)N1CCN(c2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)[C@](C)(CO)C1 2345737625 YJNSGXHMRRYYAT-QFIPXVFZSA-N 451.348 2.328 30 10 JEEE COc1nc(N2CCO[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)ccc1B1OC(C)(C)C(C)(C)O1 2365343956 HRHRSPCIMHRISZ-IAGOWNOFSA-N 461.368 2.214 30 10 JEEE C[C@H](OC(=O)c1ccc(CN2C(=O)CNC2=O)cc1)C(=O)Nc1sc2c(c1C#N)CCC2 26691907 BRETWEAYWXWXAF-LBPRGKRZSA-N 452.492 2.344 30 10 JEEE N#C[C@H]1C(=O)Nc2nc(N3CCc4ccccc4C3)[nH]c(=O)c2[C@H]1c1ccc2c(c1)OCCO2 101422854 HNBBYKWIAJLEEB-XLIONFOSSA-N 455.474 2.328 30 10 JEEE C=CCSC1=NC(=O)C2=c3cc(Br)ccc3=N[C@H](/C=C/c3ccc([N+](=O)[O-])o3)N2N1 588226752 YKLHASSZWXMROG-SZTZYQKNSA-N 488.323 2.353 30 10 JEEE C#CCN(C(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2C)cc1)[C@H]1CCS(=O)(=O)C1 729330687 HQADBCOMZRXMEA-IBGZPJMESA-N 464.540 2.197 30 10 JEEE CCOCCCn1c(=C(C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)sc(=Cc2cnn3ccccc23)c1=O 729671700 VWIMLGFPRSASMU-GHTZIAJQSA-N 493.633 2.182 30 10 JEEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCc1nccn1CCCc1ccccc1 1137267580 BEIUWHDDJGQZHL-UHFFFAOYSA-N 451.552 2.261 30 10 JEEE C=CCOC[C@@H](NC(=O)c1cc(C)c(C)c(S(=O)(=O)N2CCC(C)CC2)c1)C(=O)OC 1139175715 KDCYITFKDPIZJJ-LJQANCHMSA-N 452.573 2.198 30 10 JEEE C#CCNC(=O)C1CCN(C(=O)N[C@@H](CC)c2ccccc2OCC(=O)N2CCCC2)CC1 1221165022 CKLMYTQPPPIERS-NRFANRHFSA-N 454.571 2.310 30 10 JEEE C#CCN(c1nnc(CC)n1C[C@H](c1ccccc1OC)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1286393919 MAWQQIFFRQGMCN-TZIWHRDSSA-N 471.627 2.313 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCNC(=O)C(C)C 1286470552 ZLXMYQCKGRBZTB-SFHVURJKSA-N 462.595 2.208 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc(Cl)nc3)n2C[C@]2(O)CCO[C@@H]2C)n1 1286472533 YWIDSOLGMGKWJW-UZUQRXQVSA-N 485.976 2.016 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](C(C)C)N2CCCC2)CC1 1286495092 XKHYCVQUFFSRCV-FGZHOGPDSA-N 456.635 2.258 30 10 JEEE C=CCSCCn1c(-c2ccccn2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1286828827 BDHPRSFWLKQIDN-UHFFFAOYSA-N 483.642 2.200 30 10 JEEE C[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(NC(=O)C2CC2)CC1)N(C)C 1288672821 DSWVPZLWXNMRKA-KRWDZBQOSA-N 451.575 2.174 30 10 JEEE CCCC(O)(CCC)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(C#N)C1 1294005051 AHKZFTJHFAOZQX-RXVVDRJESA-N 482.651 2.072 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2C[C@]2(N(C)C)CCSC2)c1 1300334597 RESFFGCPQQXOCD-NTKDMRAZSA-N 468.627 2.276 30 10 JEEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1300345440 WXBPCRLQBMWQEB-PMACEKPBSA-N 455.584 2.400 30 10 JEEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCCN1CCCO[C@@H](C)C1 1300433082 XTRVKTRMWJONHV-SFHVURJKSA-N 458.994 2.432 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1CC1([S@@](C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1300489920 WCEMZTCBJPYBOF-DHMKHTPVSA-N 485.006 2.275 30 10 JEEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 1300928857 OCFLSFNXOIDXRH-CVEARBPZSA-N 456.613 2.206 30 10 JEEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nc(CC)ns2)CC1 1301188431 JOPOVWWAHOFVOT-INIZCTEOSA-N 465.649 2.277 30 10 JEEE C=CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1301218741 SSKOKFNWFWKPKU-UHFFFAOYSA-N 499.641 2.409 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCOC[C@@H]1OC 1301338321 VRSIWWZPSTXYJW-JBACZVJFSA-N 455.559 2.482 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)nc1 1301410333 CARQLWPTQANWOS-NRFANRHFSA-N 486.598 2.191 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)nc1 1301410334 CARQLWPTQANWOS-OAQYLSRUSA-N 486.598 2.191 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1301481252 KBDJOFPNSKJJDA-DGGJZMOXSA-N 459.522 2.244 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCN(c2nc(C)cs2)CC1 1301514290 IQUGFQPCVABJQM-UHFFFAOYSA-N 483.598 2.259 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC(C(=O)NC2CCCCC2)CC1 1301588208 DBSXSIAZZDONTB-FQEVSTJZSA-N 493.674 2.438 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1301593921 XUTFZGCTZDNSBK-CTNGQTDRSA-N 471.583 2.335 30 10 JEEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(C2CCCC2)CC1 1301594602 HJZABYBPQQVUCB-QGZVFWFLSA-N 456.682 2.262 30 10 JEEE CN(c1nnc(-c2ccc(C#N)cc2)n1CCC1CCOCC1)C1CCN(S(C)(=O)=O)CC1 1314683234 HFQQPMZPQDXEQR-UHFFFAOYSA-N 472.615 2.494 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1CCOCCS(C)(=O)=O 1358877592 HJPCBNXKVBDXFV-AWEZNQCLSA-N 455.378 2.227 30 10 JEEE C#CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1358924871 MCZQGTWQFVFGCS-UHFFFAOYSA-N 493.568 2.433 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H]1CCC[C@H](O)C1)[C@@H]1CCS(=O)(=O)C1 1358959318 GLAVHSLYFJGUJG-QRVBRYPASA-N 488.610 2.140 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(COCC)cc1)[C@H]1CCS(=O)(=O)C1 1358966181 JIBNZHMRJSNPRK-QHCPKHFHSA-N 496.637 2.351 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](C)CNC(=O)OC(C)(C)C 1358968405 KSELSHLSSJNFKQ-QGZVFWFLSA-N 451.531 2.159 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1c[nH]c2cccc(C)c12 1358994666 SZZOEVSRUWSAIU-JOCHJYFZSA-N 494.621 2.106 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2CC2(C(=O)NCC)CCC2)CC1 1359046222 JIDHEESQKFQJCC-UHFFFAOYSA-N 492.624 2.150 30 10 JEEE C=C(Br)Cn1c(-c2cccnc2)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1359081195 SCQMDDORZCJYIQ-INIZCTEOSA-N 470.393 2.279 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CC(=O)NC(C)C 1359098294 ZNTUBPAGRYTDHV-VGSWGCGISA-N 479.585 2.134 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCN2CCC(O)CC2)C1 1359315133 ORHWIVXKGYTHRF-OAQYLSRUSA-N 456.547 2.481 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCN(Cc2cscn2)CC1 1359334196 WUZFWNVFOSOBGP-UHFFFAOYSA-N 490.630 2.388 30 10 JEEE C#CCN(C(=O)c1ccc(S(N)(=O)=O)nc1)[C@H]1CCOc2ccc(Br)cc21 1444125707 UQPYZWRIZUMCRY-HNNXBMFYSA-N 450.314 2.091 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H](OC)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1507630201 URVGJJXSSWYCMT-XLIONFOSSA-N 474.583 2.362 30 10 JEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1C[C@@](C)(O)C(C)C)[C@H]1CCS(=O)(=O)C1 1507634688 LKDFOTQCPGAXNI-GBXCKJPGSA-N 474.627 2.106 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCc1sccc1C)[C@@H]1CCS(=O)(=O)C1 1507637064 GQYPQJQZFZZQCE-NSHGMRRFSA-N 478.640 2.241 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CCC(=O)Nc2ccccc2)CC1 1507736540 MLGQYRYPQHKSME-UHFFFAOYSA-N 457.538 2.335 30 10 JEEE C#CCSCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CC(=O)N(C)[C@@H](C)C1 1507752478 YMIRLGVATNRDDW-KRWDZBQOSA-N 479.610 2.098 30 10 JEEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2ccc(F)cc2F)C1 1507837201 KIPWCIXQBZQXPZ-DNVCBOLYSA-N 485.557 2.337 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CCCN(CC)C(=O)C1 1508071288 AOCKEHKIVUXCHR-UHFFFAOYSA-N 461.364 2.068 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1508072880 LACRAVRQWNHFSB-CJNGLKHVSA-N 491.365 2.111 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1508091528 VCYPBRXXHGRSRF-MSOLQXFVSA-N 462.595 2.168 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2OCC)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1508094064 MHLMMSVITDBETJ-OALUTQOASA-N 454.575 2.231 30 10 JEEE COCC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2csc(COC)n2)CC1 1518658357 GGKKGLYDDGMZCB-UHFFFAOYSA-N 481.582 2.199 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(C2CCCC2)n1C[C@]1(O)CCS(=O)(=O)C1 1519149784 BXHGDILXPXPUFH-HSZRJFAPSA-N 473.599 2.010 30 10 JEEE C=CCS(=O)(=O)CCNC(=O)c1cc(CN2C(=O)c3ccccc3C2=O)ccc1OCC 1526694193 RQPHTZWPLCIXHM-UHFFFAOYSA-N 456.520 2.212 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1c[nH]c2c(C)cccc12 1539016328 TWOSJWWLKFVNTK-YLJYHZDGSA-N 470.599 2.101 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccccc1Cn1cccn1)[C@@H]1CCS(=O)(=O)C1 1539202165 GLVGYIDLZQEGHF-OAQYLSRUSA-N 466.611 2.495 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@]2(OCC)CCOC2)n1C[C@H](C)N1CCOCC1 1539385098 WUKRQCXESFWZEY-CPJSRVTESA-N 471.577 2.430 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(CC(C)(C)C)n2C[C@@H]2CCCCS2(=O)=O)n1 1539424937 YUNRRLJWLSYTHA-FQEVSTJZSA-N 476.647 2.317 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCNC(=O)c2occc2C)CC1 1539460122 WZKYTXQYKQEPJB-UHFFFAOYSA-N 487.564 2.206 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H](C)c2ncc(C)s2)CC1 1539469247 PMAZFKRVHBEOJE-MZNJEOGPSA-N 486.642 2.465 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1CCc1c(OC)cc(OC)cc1OC 1539556570 RCJITCIZDOVUKW-MHECFPHRSA-N 453.543 2.490 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCNS(=O)(=O)CC 1539557491 VKFZHXLDGSNJSW-HSZRJFAPSA-N 494.662 2.324 30 10 JEEE C=C(Br)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@]2(CCOC2)C1 1539581160 YKVSWTOSJVDECE-IBGZPJMESA-N 483.388 2.253 30 10 JEEE C=C(Cl)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1539813173 VZHITNYQBSPIED-QAPCUYQASA-N 492.049 2.011 30 10 JEEE C=CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCCN(C(C)=O)C1 1540191068 BLZJWOKVEZUEIO-IBGZPJMESA-N 475.615 2.246 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ccc(O)cc2)CC1 1540902227 DJSUFNOBXFFWNN-FQEVSTJZSA-N 461.588 2.153 30 10 JEEE C=CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1540911250 VKQXOKANPCJDSL-UHFFFAOYSA-N 453.572 2.460 30 10 JEEE CCC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C(=O)COC)CC2)CCOCC1 1546153913 DZPWRXKZRVRROB-UHFFFAOYSA-N 482.585 2.231 30 10 JEEE C=C[C@H](COC)NC(=O)N1CCCN(S(=O)(=O)c2ccc(Br)s2)CC1 1564617179 CVISTPUUGUOAJV-GFCCVEGCSA-N 452.396 2.118 30 10 JEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC(n2ccc(C(F)(F)F)n2)CC1 1566891201 HRBMEYKURMMISM-CYBMUJFWSA-N 455.462 2.304 30 10 JEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2C[C@@H](CC(=O)N(C)C)c3cc(Cl)ccc32)c1 1586611635 WELKXRAMZASFEQ-MRXNPFEDSA-N 459.955 2.474 30 10 JEEE C#CCCCCn1c(N2CCC3(CC2)NC(=O)N(C)C3=O)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1587792924 DHUJTDLLHRIFTP-HDICACEKSA-N 499.616 2.373 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCc2ccc(C)c(OC)c2)CC1 1588929782 GSGPGWFXGAUZCJ-NRFANRHFSA-N 451.571 2.308 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H](C)[C@@H](O)c2cc(OC)ccc2OC)ccc1F 1595032570 XKMWWLWLHPZFFQ-RNODOKPDSA-N 452.504 2.159 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@H](C)[C@@H]2C)cc1 1595613299 BZCWFFXNWUKGIA-LQWHRVPQSA-N 475.615 2.459 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1595701203 XVEGPQAREDMITP-WMZOPIPTSA-N 462.572 2.178 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@H]2CCS(=O)(=O)C2)C1 1595745202 RERORXNUINYAMG-CTNGQTDRSA-N 460.600 2.288 30 10 JEEE C#CC[C@H](COC)NC(=O)c1cccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1 1595817132 INSCMTUETOMIPS-HXUWFJFHSA-N 459.543 2.105 30 10 JEEE COc1ccc(CCc2nnc(N3CCN(c4nccnc4C#N)C[C@H]3C)n2C[C@H](C)OC)cc1 1619238545 BKYRBVUPTKFPDB-MOPGFXCFSA-N 476.585 2.484 30 10 JEEE N#C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2Cc2cc(Br)cs2)CCO1 1620356749 HUXVQQUMJJCWEE-CYBMUJFWSA-N 451.350 2.002 30 10 JEEE CC#CCN(C)C(=O)c1ccc(S(=O)(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 1628796979 VQGKHTDKFSYZRX-UHFFFAOYSA-N 452.536 2.381 30 10 JEEE C=C[C@@H]1OCC[C@H]1CNC(=O)c1cc(S(=O)(=O)NC[C@H]2CCCO2)ccc1Br 1630442387 TXDOSBSVGYSUOV-IYOUNJFTSA-N 473.389 2.227 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H](c1ccc(C)o1)N1CCOCC1 1649537807 FLYDUKIQNAANJE-VAXXYWNWSA-N 457.575 2.363 30 10 JEEE C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)Nc2ccc3c(c2)c2ccccc2n3CC)c1=O 1651693637 HZBZXDNVJXLXRF-UHFFFAOYSA-N 459.506 2.310 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1689851459 RDIGEQWPCSSSEG-OKZBNKHCSA-N 465.620 2.285 30 10 JEEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)COc2ccc(F)cc2)CC1 1689901054 ADYSGVRGYNTBFV-UHFFFAOYSA-N 482.560 2.071 30 10 JEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1689936726 AWMIOAGOFQEJFC-UHFFFAOYSA-N 468.587 2.087 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H](C)COCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1689989147 BKAAFXDZVFJGEA-CEMLEFRQSA-N 472.611 2.262 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1Cc1c(CC)nn(C)c1OC 1690003821 ZBWMRJBCWMOQRB-UHFFFAOYSA-N 470.375 2.472 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccsc1Br 1690103681 GIFNQHHYZTXALF-AWEZNQCLSA-N 473.418 2.139 30 10 JEEE C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C(C)C)C1 1690228721 DFZYESLIXJJQEJ-CVEARBPZSA-N 476.441 2.392 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1690236843 RSKTZPFZTLVEMQ-WMQCIHAUSA-N 455.607 2.354 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1690237169 WEYVYODYOAZQKO-GHTZIAJQSA-N 482.585 2.066 30 10 JEEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1690313273 PIFWFXOSZGZOBC-BDTNDASRSA-N 474.650 2.001 30 10 JEEE C=C(Cl)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1690350467 KXXZROPMYQUZHJ-UHFFFAOYSA-N 469.977 2.276 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCN(C(C)=O)C1 1690563057 GANODGQCZYMUDE-NQIIRXRSSA-N 474.631 2.339 30 10 JEEE CC[C@@H](C)NC(=O)c1cccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)c1 1694209336 AXEPYQIBNPAJPN-UTKZUKDTSA-N 484.626 2.497 30 10 JEEE COc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1CCCN1CCCO[C@@H](C)C1 1697617573 CXHMFQRKEPGLPW-PMACEKPBSA-N 470.574 2.095 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1Cc1nnc(CC)s1)[C@@H]1CCS(=O)(=O)C1 1705570194 LEGJPMMEVGHSJZ-CQSZACIVSA-N 492.577 2.236 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@H]1COCCO1 1705596156 VBBNPSBCSLNDBT-LJQANCHMSA-N 460.538 2.114 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2Cc2ccnc(OC(F)F)c2)CC1 1705649191 NVCHTLYJCBMSFK-UHFFFAOYSA-N 467.480 2.351 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2CCCN2C[C@@H](C)O[C@H](C)C2)CC1 1705650797 ZQFJDIOEHRXWLU-NHCUHLMSSA-N 496.631 2.473 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2CC2([S@@](C)=O)CCC2)CC1 1705650898 BSUXKVPUVYODNK-UUWRZZSWSA-N 483.638 2.433 30 10 JEEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1705738559 BPQIHQJEUYGPNZ-JOCHJYFZSA-N 481.645 2.380 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@]1(C)COCCO1 1705863553 XDEDIESCSATYKY-IIBYNOLFSA-N 467.567 2.026 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC(Cn2cncn2)CC1 1705897883 WBJBJDLCGAMMJR-KRWDZBQOSA-N 468.537 2.368 30 10 JEEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCC(O)(C(F)(F)F)CC1 1705906995 WXIIUIYWPVLRJQ-UHFFFAOYSA-N 453.465 2.361 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](C)N2CCC(C)CC2)C1 1705925825 UWJIOFRMSBQTRA-HSALFYBXSA-N 451.637 2.082 30 10 JEEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H]1CCCS(=O)(=O)C1 1706190292 GILZDRJEDRNANK-WCLQXYBISA-N 453.584 2.463 30 10 JEEE CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)C1CCN(CCn2cccn2)CC1 1709900518 AHFFWENZLJUBQJ-UHFFFAOYSA-N 475.601 2.092 30 10 JEEE CN(C)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1)c1ccc(F)cc1 1710996273 CTJJGMRMMLQCQH-CDXJDZJCSA-N 464.542 2.064 30 10 JEEE C#CCN(c1nnc([C@H]2COc3ccccc3O2)n1CCCCCOC)[C@@H]1CCS(=O)(=O)C1 1722368423 RGFWGHSJQGJVLU-WIYYLYMNSA-N 474.583 2.234 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2Cc2csc(COC)n2)CC1 1722442864 FVDHMCQJSGXBNZ-UHFFFAOYSA-N 454.556 2.464 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(Br)cc3)n2CC2(O)CC2)CC1 1722449518 LFDRMUHVHMOHSD-UHFFFAOYSA-N 488.386 2.110 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2C[C@@]2(O)CCC[C@@H]2C)CC1 1722449719 OQWVHYOINKIPIV-FNZWTVRRSA-N 465.598 2.417 30 10 JEEE C=CCC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1722589388 RAKIDJICRVGZQQ-OAQYLSRUSA-N 468.650 2.485 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 1722697787 PMGDBEDLTVWBCA-UHFFFAOYSA-N 455.563 2.478 30 10 JEEE CCN(c1nnc(-c2cccc(C#N)c2)n1CCCc1nc(C)no1)[C@H]1CCS(=O)(=O)C1 1728297339 GFRGHOITTZMIKO-SFHVURJKSA-N 455.544 2.154 30 10 JEEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2C[C@@H](C)C[C@@H](C)C2)CC1=O 1730784486 AQZZBMVJXKPBRV-OYRHEFFESA-N 479.629 2.480 30 10 JEEE N#Cc1ccc(-c2nnc(N3CCO[C@H](C(F)(F)F)C3)n2C[C@H]2CCCS(=O)(=O)C2)cc1 1731184103 AHYTZQIYJGCNKF-WBVHZDCISA-N 469.489 2.409 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OC)cc1C(F)(F)F 1740533992 WCWVVUFJJUPTOL-STQMWFEESA-N 459.494 2.422 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1cccc(N2CCOCC2)n1 1740540676 XXQQLHQDFWWLDL-SFHVURJKSA-N 480.594 2.086 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC1(C)C 1740679062 MSPWOEZMEJYVGA-QUCCMNQESA-N 475.590 2.436 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2cccc(C(=O)NCCC)c2)CC1 1740692190 FSBWZNKWSJZUTF-HHHXNRCGSA-N 494.640 2.262 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Cl)c3)n2CCOCCN(C)C)CC1 1740703123 GZALFNNZHNOGFX-UHFFFAOYSA-N 458.994 2.143 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@H]2CCOC2)CC1 1740704286 NBTNXZVWNRUAPV-GOSISDBHSA-N 467.570 2.355 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCc2cccc(F)c2F)CC1 1740704982 ZXBGLJOEVAKLEU-UHFFFAOYSA-N 451.481 2.222 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2CCN(C)C(C)C)CC1 1740707605 IUKKZSDLNBVYMM-UHFFFAOYSA-N 456.566 2.302 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCc2cc(C)cc(C)c2)CC1 1740708598 VQAXMDLWLUJYOC-UHFFFAOYSA-N 462.598 2.226 30 10 JEEE C=C(Cl)Cn1c(COc2ccc(OC)cc2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1740814877 GJROVEKBWZKHBJ-UHFFFAOYSA-N 474.993 2.363 30 10 JEEE C=C(Cl)Cn1c(N2CCC3(CC2)NC(=O)N(C)C3=O)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740816721 LJXWEFOAHYRUGM-GASCZTMLSA-N 493.996 2.322 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2cnn(C)c2)C1 1740981529 PJSXHTLPZGYNGL-RBUKOAKNSA-N 473.578 2.150 30 10 JEEE CN(Cc1cscn1)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1747788720 ALZZISDUXHWTRJ-GOSISDBHSA-N 457.585 2.334 30 10 JEEE CN(CCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccccc2C#N)CC1)CC(F)(F)F 1747953653 BZPJPZIUCUXBMX-GOSISDBHSA-N 463.508 2.474 30 10 JEEE CO[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1)C(C)C 1748423515 DZMCSPWASYTZMU-FCHUYYIVSA-N 465.602 2.231 30 10 JEEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@H](C)c2nc(C(C)C)no2)CC1 1748710336 MTAMTHPUKJXSBC-MSOLQXFVSA-N 454.579 2.422 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H](Cc1ccccc1)OC)[C@@H]1CCS(=O)(=O)C1 1748823765 BIKCWGMZEGSAII-NJDAHSKKSA-N 458.584 2.014 30 10 JEEE C#CCN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCc1ccc(S(C)(=O)=O)cc1 1748912713 HKOZERPPMVSJLG-HSZRJFAPSA-N 460.600 2.424 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCO2)n1CCN1CCN(C(C)=O)CC1 1748947969 BOIWNRWABXGRHH-JOCHJYFZSA-N 454.550 2.073 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCC(=O)N(C)C)CC1 1749005650 YLRMTTCNSFBLNX-FQEVSTJZSA-N 480.613 2.479 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2Cc2cccnc2OCCOC)CC1 1749009428 IQOPPBGCJWTOIW-UHFFFAOYSA-N 466.586 2.370 30 10 JEEE C=C(Cl)Cn1c(N2C[C@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1749282506 ZKOSTTGCOBAUSC-VNZMSGEBSA-N 495.068 2.450 30 10 JEEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1749414999 LTALRQKLMPBORU-UHFFFAOYSA-N 481.644 2.080 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C(N)=O)nc1 1749546566 ASMYFRLNSKYAPX-GOSISDBHSA-N 484.557 2.054 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1749671899 NBBDXVDMGYOACZ-LJQANCHMSA-N 456.566 2.441 30 10 JEEE CC(C)Cc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1750743904 AMSHVFMYWMIOCS-QHCPKHFHSA-N 499.685 2.342 30 10 JEEE C[C@@]1(C#N)CCCN(c2nnc(CNC(=O)c3cccs3)n2CCS(=O)(=O)CC2CC2)C1 1751276044 CKJDHPSNSFYXSI-NRFANRHFSA-N 476.628 2.224 30 10 JEEE CC1=C(Br)CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1751310541 GJYDYLSQJVUSAC-HXUWFJFHSA-N 492.399 2.245 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2C[C@@H]2CC(F)(F)CO2)c1 1760125153 FZLKLRSBZPMXKP-SFHVURJKSA-N 455.469 2.159 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@](C)(O)c1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 1760183999 FXKMARILZWSCOV-SBUREZEXSA-N 488.013 2.471 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H](c1cccc(F)c1)N(C)C)[C@H]1CCS(=O)(=O)C1 1760192077 DNITZZPNMRTOLR-PCCBWWKXSA-N 475.590 2.198 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCSC1 1760245236 WRAPUPKNRHKKOR-QGZVFWFLSA-N 463.629 2.035 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCOc2ncccc2Cl)CC1 1760260665 BEWXFENCRUWPFH-UHFFFAOYSA-N 486.001 2.152 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1760263420 AIMSFACASPEXOZ-OALUTQOASA-N 485.633 2.020 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCC(=O)NC(C)C)CC1 1760271110 MAICIRUKYAXLFU-UHFFFAOYSA-N 480.613 2.354 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1760306661 JGBBULWTEJGQGG-UXHICEINSA-N 497.482 2.312 30 10 JEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cccc(OCC)n2)CC1 1760348920 RBUBDABQSUWFIC-UHFFFAOYSA-N 469.590 2.227 30 10 JEEE C=CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@]2(CCC(=O)N2)C1 1760440631 NOWCNGOOUIEVFC-GAJHUEQPSA-N 460.579 2.412 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 1760519376 BGGPNKNOLPFKLD-VQIMIIECSA-N 465.558 2.468 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCC(c3cnn(C)c3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1760558075 FOIITMOGZVPAQF-QHCPKHFHSA-N 492.646 2.037 30 10 JEEE CC(=O)N1CCN([C@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCOCC(F)F)C[C@H]2C)CC1 1760621457 HJLFKJMJJDXWOP-UTKZUKDTSA-N 487.555 2.087 30 10 JEEE CC[C@@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1Cc1cccn(CC)c1=O 1761884147 FYNWYDGXLGMWPH-QZTJIDSGSA-N 461.574 2.398 30 10 JEEE CN(C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCCO2)CC1)S(C)(=O)=O 1767000292 DLVQKPKECOCUMV-FQEVSTJZSA-N 458.588 2.246 30 10 JEEE CO[C@@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1769564117 BLEFZNKFTROSOR-HNNXBMFYSA-N 487.611 2.128 30 10 JEEE N#Cc1cccc(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)NCc3ccccn3)cc2)c1 1858977742 RWXMPONRGAKELC-UHFFFAOYSA-N 463.519 2.114 30 10 JEEE CCCCCCCCNC(=O)[C@H](CC(N)=O)NC(=O)c1ccc(=O)n(Cc2ccccc2F)c1 1861262555 UORZDHDXZXDIDI-NRFANRHFSA-N 472.561 2.486 30 10 JEEE C=CCn1cc(OCC(=O)N(CCC)CCC)c(=O)cc1CN1CCN(c2ncccn2)CC1 1870460375 DCQSUBJYTHMYCD-UHFFFAOYSA-N 468.602 2.174 30 10 JEEE COc1cc(/C=N/Nc2cnn([C@H]3CCS(=O)(=O)C3)c(=O)c2Cl)ccc1OC(C)C 1873529326 QKPUNHDHCNFWLI-SLSPDHCBSA-N 454.936 2.498 30 10 JEEE C=CCn1c(C(=O)NC[C@@H](O)c2ccc(Cl)cc2)cc2c(N3CCN(C(C)=O)CC3)ncnc21 1873595093 OLQKQQIGROAPKT-OAQYLSRUSA-N 482.972 2.403 30 10 JEEE COc1ccc(OCc2nnc(SCC(N)=O)n2/N=C/c2cc(OC)c(OC)c(OC)c2)cc1 1874292573 KXDBNNLZCIZGDW-BHGWPJFGSA-N 487.538 2.351 30 10 JEEE CCN(CC)C(=O)CSc1nnc(COC)n1/N=C/c1cc(OC)c(OC)cc1OC 1874499431 QUMTUXPLYQPLEN-SRZZPIQSSA-N 451.549 2.293 30 10 JEEE C[C@]12C[C@@H](OC(=O)[C@@]1(C)O)[C@@H]([C@@H]1CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC(=O)[C@@]31C)C2 2043444409 XTQKMXGXXCXGMX-XGLLJOPLSA-N 484.589 2.364 30 10 JEEE N#C[C@H]1CN(S(=O)(=O)c2ccc(CO)c(Br)c2)CCN1Cc1ccccc1 2157779894 LHFITDPYXXYVTF-KRWDZBQOSA-N 450.358 2.340 30 10 JEEE Cc1csc(C(=O)NCC2(O)CN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2255634772 UYNHGVRKCQJDAF-UHFFFAOYSA-N 452.382 2.067 30 10 JEEE CN(C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1)[C@@H]1CC[C@@H]1NC(=O)OCc1ccccc1 2255657353 NYXSXZMKKANUJO-RBUKOAKNSA-N 468.363 2.249 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)NCc1sccc1B1OC(C)(C)C(C)(C)O1 2256604861 HCDRNPSKALIJDG-HNNXBMFYSA-N 452.382 2.299 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]1C(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)cs1 2256615645 WDFINJFHNZPTFW-HZPDHXFCSA-N 452.382 2.346 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@H](CCNC(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)C1 2267001951 RWDGSWGRDCMYGS-CQSZACIVSA-N 467.397 2.198 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]1CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2267376617 YTHTZWUVCDUMMJ-JKSUJKDBSA-N 466.409 2.425 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)Nc1ccc(F)c(F)c1B1OC(C)(C)C(C)(C)O1 2268653869 SEYSHOAEKSOJOJ-ZBEGNZNMSA-N 456.295 2.477 30 10 JEEE CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2B2OC(C)(C)C(C)(C)O2)C1 2281930025 HGTILVNETRRXMZ-BRWVUGGUSA-N 465.400 2.348 30 10 JEEE Cn1nc(C(=O)N[C@@H]2CC23CCN(C(=O)OC(C)(C)C)CC3)cc1B1OC(C)(C)C(C)(C)O1 2281973516 SSSXQCQXDLDBRC-MRXNPFEDSA-N 460.384 2.239 30 10 JEEE Cn1nc(C(=O)N[C@@]23CCCN(C(=O)OC(C)(C)C)C[C@H]2C3)cc1B1OC(C)(C)C(C)(C)O1 2281977635 RYGDEVPJYLRQDC-IQMFZBJNSA-N 460.384 2.239 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1[C@H]2CCC[C@H]1CN(C(=O)OC(C)(C)C)C2 2282025874 UXTZHDGRXVIAMU-HOTGVXAUSA-N 460.384 2.333 30 10 JEEE CN(C[C@@H]1CCCN1S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)OC(C)(C)C 2282351028 VOYKDJJUFJUONL-KRWDZBQOSA-N 481.424 2.401 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N(Cc2ccccc2)[C@@H]2COC(C)(C)C2)n1 2282503989 IKGBMACHRUILCH-SFHVURJKSA-N 475.420 2.478 30 10 JEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CCN(C(=O)OC(C)(C)C)[C@H]2COC[C@H]21 2282558762 KUTFKWOFECKFOL-SJORKVTESA-N 462.352 2.348 30 10 JEEE Cn1cc(C(=O)N[C@@]23CCC[C@H]2CN(C(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)n1 2282584029 AUSZFZMFOHIRKD-NPMXOYFQSA-N 460.384 2.239 30 10 JEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CN(Cc3ccccc3)CC(C)(C)C2)n1 2282610690 AHLZSMRBOZDFOR-GOSISDBHSA-N 453.396 2.145 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2[C@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2282668756 JPJXVWZVMXEGPH-RDGPPVDQSA-N 458.364 2.396 30 10 JEEE CC(C)(C)OC(=O)N1CC([C@@H](F)CNS(=O)(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2282845574 VRKRTAPITYIGEE-KRWDZBQOSA-N 484.399 2.469 30 10 JEEE CO[C@@H]1C[C@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)c(C)n2)N(C(=O)OC(C)(C)C)C1 2283964944 QKBWLMDVGKNGTH-GDBMZVCRSA-N 462.356 2.047 30 10 JEEE COC[C@](C)(CC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)c(C)n1)NC(=O)OC(C)(C)C 2283988855 BRWRWYJMQREQBJ-QFIPXVFZSA-N 464.372 2.343 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N1CCc2cccc(B3OC(C)(C)C(C)(C)O3)c2C1 2284049137 PKRGTSGXBBCKTM-IBGZPJMESA-N 460.380 2.146 30 10 JEEE C[C@@H](NC(=O)[C@@H](CCN(C)C)NC(=O)OC(C)(C)C)c1nscc1B1OC(C)(C)C(C)(C)O1 2284054428 CEPPHRNKNMVMGX-GDBMZVCRSA-N 482.456 2.465 30 10 JEEE CC(C)(C)OC(=O)N1CCN(CC(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)CC1 2284055057 NLNZJJXNOLYJAS-UHFFFAOYSA-N 464.347 2.011 30 10 JEEE CCn1c(N2CCN(CCO)CC2)c(C=C2SC(=S)N(CC(C)C)C2=O)c(C)c(C#N)c1=O 2314426341 YBOBYYYCGCRVHU-UHFFFAOYSA-N 489.667 2.020 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(=NCCn2cnc(I)c2)[nH]1 2337030740 VFGRVCKZNAILHT-UHFFFAOYSA-N 454.121 2.024 30 10 JEEE COc1ccc(NC(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2339739876 ZCHNGNOJGOQSKC-MRXNPFEDSA-N 450.341 2.209 30 10 JEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C(=O)N2CC[C@@H](B3OC(C)(C)C(C)(C)O3)C2)[C@H]1OC 2342482696 OFXBQGCVQIXXTK-NCOADZHNSA-N 454.373 2.330 30 10 JEEE 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)ncn1C 2362454940 FRYYCQYSVSLGMN-ZSHCYNCHSA-N 462.400 2.341 30 10 JEEE CC1(C)OB(c2cc(F)ccc2S(=O)(=O)N[C@H](CCO)COCc2ccccc2)OC1(C)C 2369628690 GGIJGTKEDZMCCM-LJQANCHMSA-N 479.379 2.371 30 10 JEEE COc1ccc(OC)c(CCNC(=O)c2cccc(/N=C3/N[C@@H]4CS(=O)(=O)C[C@@H]4S3)c2)c1 9530072 MHJSWNBUEOIGBM-QUCCMNQESA-N 475.592 2.166 30 10 JEEE COc1ccc(OC)c([C@@H]2c3c(nc(NCc4ccc5c(c4)OCCO5)[nH]c3=O)NC(=O)[C@H]2C#N)c1 72472408 SOVHZBNNALWSEV-JXFKEZNVSA-N 489.488 2.394 30 10 JEEE COc1cc(/C=C\C(=O)OCC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)ccc1OCC#N 97642962 KPGHEZUBGPODCH-YFHOEESVSA-N 487.534 2.351 30 10 JEEE CC(/C=C/c1ccccc1)=N\Nc1nnc(SCC(=O)N2CCN(CC(=O)NC(C)C)CC2)[nH]1 253561164 BUHYEUSZGCMLIM-RLQUMWSVSA-N 484.630 2.067 30 10 JEEE Cc1ccc(C(=NNc2nc3c(c(=O)n(C)c(=O)n3C)n2C/C=C\c2ccccc2)C(=O)O)cc1 606351488 FTDVJPTXOGNOGI-IGHJYILDSA-N 472.505 2.356 30 10 JEEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(CS(=O)(=O)c3ccc(C)cc3)cc2)CC1 611792263 YPMLFEDANADYFC-UHFFFAOYSA-N 455.580 2.029 30 10 JEEE CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)/C(=C(/C)NCCc3nc(C)no3)C(=O)[C@]12C 1075950841 OLLYFGPMSYKNJG-PVBBERPISA-N 453.451 2.092 30 10 JEEE C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)N(C)CCCc3[nH]nc(N)c3C#N)cc2)C1 1151151010 CYWZFYUUFNBXAT-HZPDHXFCSA-N 458.588 2.235 30 10 JEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCn2ncc(I)c2C1 1156647806 WIAJJMVLWIRANI-CYBMUJFWSA-N 458.300 2.137 30 10 JEEE C=CCCOCCNS(=O)(=O)c1cc(C)c(I)c(C(=O)OC)c1 1188894828 LOBGTZNYIJOSAS-UHFFFAOYSA-N 453.298 2.257 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC1([S@@](C)=O)CC1 1286288590 HZDIPVQCLMJSHC-MWOWJKGTSA-N 452.584 2.434 30 10 JEEE C#CCN(c1nnc(C2CCC2)n1CCc1ccc(NC(C)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1286393167 KLKAXPVWOYAQNV-OAQYLSRUSA-N 455.584 2.373 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCS(=O)(=O)N1CCSCC1 1286399643 KWUBNPFJZJFWED-GOSISDBHSA-N 491.614 2.009 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCN1CCN(C)C(C)(C)C1 1286416617 PXAVTWDYKWLMMV-NRFANRHFSA-N 483.661 2.449 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@H]2CCOC[C@@H]2OC)CC1 1286472888 WRIXHUHIQDCUGN-IPJJNNNSSA-N 457.550 2.364 30 10 JEEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(N2CCCCC2)CC1 1286535340 HREYMHDSBKEFRO-OAHLLOKOSA-N 475.457 2.252 30 10 JEEE C=C(Cl)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1286618519 BPSYIOLTOCNDFT-QGZVFWFLSA-N 471.949 2.372 30 10 JEEE C=CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCCN(C(C)=O)C1 1286768323 YVLCLNKBUAWMEX-IBGZPJMESA-N 489.646 2.136 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](c2ccccc2Br)C1 1286780828 IWMMZDZSHWTWNR-QGZVFWFLSA-N 491.390 2.059 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)nnc1[C@@]1(OCC)CCOC1 1286793032 PKDBVFVJFIUMEY-KBMIEXCESA-N 485.560 2.471 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCSC[C@@H]1C 1286819159 BYJIRMZIWZSEPB-INIZCTEOSA-N 488.639 2.217 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCCc2ccccc2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1286823312 UJQBUGFOSVJTEQ-MOPGFXCFSA-N 460.556 2.168 30 10 JEEE C[C@H](CN1CCCC1)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(S(C)(=O)=O)CC1 1288695810 DSZIIBZESPUCOK-LJQANCHMSA-N 486.642 2.474 30 10 JEEE CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1297705434 DVIMIUBBYURYBU-FQEVSTJZSA-N 476.578 2.292 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccccc1C1OCCO1 1300554894 LYLZKBMMRWQEIP-UHFFFAOYSA-N 456.506 2.482 30 10 JEEE C#CCN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@]1(C)CN(C2CC2)C1=O 1300597832 VNGGWYUGFPJIDB-HSZRJFAPSA-N 454.962 2.332 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCSC2(CCCCC2)C1 1300952573 YSHKVRIPDWVKOJ-QGZVFWFLSA-N 455.650 2.443 30 10 JEEE C=C(Cl)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1301052354 XKEULDLVVGVBBW-QGZVFWFLSA-N 472.977 2.188 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCc1nccs1 1301151748 QGTGREBPIMZZRM-MRXNPFEDSA-N 468.649 2.349 30 10 JEEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1301207299 SSIXPUOESVRMHB-SFHVURJKSA-N 495.671 2.423 30 10 JEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2cccc(F)c2)C1 1301223170 OHKFPINAAZIYLU-WOJBJXKFSA-N 479.578 2.294 30 10 JEEE C=CCCCn1c(N2CCC(C(=O)N3CCOCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1301233968 AKFVSAGKLXQSGK-XMMPIXPASA-N 461.607 2.360 30 10 JEEE C=CCN(CCc1ccco1)c1nnc(Cc2ccncc2)n1CC1(O)CCS(=O)(=O)CC1 1301412388 BBONVGYEXGALJL-UHFFFAOYSA-N 471.583 2.032 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N(C)C1CCN(CCC)CC1 1301500434 MLQNIPHEENRFSL-NRFANRHFSA-N 454.575 2.403 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCN1CCN(C)C(C)(C)C1 1305766392 GFLFEIPSQXCZHC-XMMPIXPASA-N 458.655 2.353 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCCN1c1cnn(C)c1 1358896991 QKIKYBIGXJYNNW-IAGOWNOFSA-N 452.588 2.130 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccc(C)n3)n2CC(C)(C)C(=O)NC)c1 1358902340 KYZJSNBQCVMVDS-UHFFFAOYSA-N 459.554 2.477 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@H](C(C)C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1358959561 LKFNDFGCQAZVPJ-JTHBVZDNSA-N 485.654 2.237 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](C)c2ccc(F)cc2)CC1 1359045387 FSXJBSHMKXHDTB-XLIONFOSSA-N 487.601 2.089 30 10 JEEE C=C(C)Cn1c(Cc2ccccc2F)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1359122598 FOOFLXINPHESSO-LJQANCHMSA-N 463.579 2.215 30 10 JEEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCN1CCN(c2ccccc2)CC1 1359150686 DLCUSKVQKWBTHH-IBGZPJMESA-N 479.050 2.191 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCO[C@@H](c2ccccc2)C1 1359333915 NWDZCARAPJKZMQ-OAQYLSRUSA-N 453.568 2.443 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1359334187 WKEVPFFKBJZWQJ-INIZCTEOSA-N 466.007 2.180 30 10 JEEE CCCS(=O)(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2([S@@](C)=O)CC2)CC1 1501332434 FCYRDQLMEKLBTJ-JGCGQSQUSA-N 490.655 2.026 30 10 JEEE COCCN1C[C@H](Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)[C@H](C)CC#N)CC1=O 1504901705 GOQZOJIPORBVEA-ZIAGYGMSSA-N 464.368 2.269 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1nnc2n1CCC2 1507531108 AOUWFJRRHUFSOC-IRXDYDNUSA-N 454.579 2.437 30 10 JEEE C#CCN(c1nnc(-c2cccc(Br)c2)n1C[C@@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1507626303 NJNDGYQRZQAXOG-PXNSSMCTSA-N 481.416 2.495 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCc1ccc(N(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 1507632166 JLPITYLHTIODAP-YADHBBJMSA-N 471.627 2.455 30 10 JEEE C=C(C)COCCn1c(-c2ccc(C)o2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1507838692 WAHWRBRMBKRYKX-UHFFFAOYSA-N 476.559 2.079 30 10 JEEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1507930075 YPYJADOXSOVBKQ-UHFFFAOYSA-N 461.592 2.142 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC(C(N)=O)CC1 1508129372 BUFUQZKLTAYJLR-GOSISDBHSA-N 475.615 2.337 30 10 JEEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CN2C[C@H](C)O[C@H](C)C2)CC1 1508158418 GQWPWQJQSQLYSW-NSHGMRRFSA-N 462.664 2.474 30 10 JEEE CC(C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@H](N1CCOCC1)C(F)(F)F 1508998363 AARIIVYHBOOSLU-SFHVURJKSA-N 478.523 2.258 30 10 JEEE C[C@@H]1CCC[C@@](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(S(C)(=O)=O)CC2)(N(C)C)C1 1512095088 GHLMCJKYZYVTHU-NTKDMRAZSA-N 485.658 2.409 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1cc(C(C)(C)C)no1)[C@H]1CCS(=O)(=O)C1 1539220459 JMOZEHMXKVSMIQ-SJORKVTESA-N 461.588 2.133 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1csc(COC)n1 1539305259 UZHMJPAKBPDFRT-UHFFFAOYSA-N 469.592 2.463 30 10 JEEE C=C(C)COCCn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1539743470 HLVDICWCMWGKCG-UHFFFAOYSA-N 472.977 2.118 30 10 JEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CC[C@H](C(=O)N(C)c2ccccc2)C1 1539757851 BHKOTXPXJNAPOQ-FQEVSTJZSA-N 466.586 2.483 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCn1ccnc1C 1540128773 OYWNMUAUSJTXEE-OAQYLSRUSA-N 465.583 2.450 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1540862850 KNWCQKFSVYHPIH-JKSUJKDBSA-N 460.966 2.431 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1540874999 YNKSRYHWTDQENN-RUZDIDTESA-N 468.602 2.077 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C/C=C/c2ccccc2)C1 1540892930 UGZAAFOGIXEOHI-PLNVDBEDSA-N 473.599 2.106 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(F)c(COC)c2)C1 1540893123 XOVUDXIIBBZFFC-PKOBYXMFSA-N 464.563 2.295 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCC(N2CCCC2=O)CC1 1540899983 HPFPXQFJOTYBJI-UHFFFAOYSA-N 457.600 2.446 30 10 JEEE CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C(C)C)N2CCCC2)CCO1 1541072392 HGMNGHHVYHITKD-XZOQPEGZSA-N 465.602 2.278 30 10 JEEE CC(C)CCOc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCC(=O)N2CCOCC2)cc1 1541524962 BPGPFRJKLFWCCW-QFIPXVFZSA-N 482.585 2.348 30 10 JEEE Cc1cc(Cn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N2CCC(C#N)CC2)n(C)n1 1542998706 ABGOAICMVSYDFZ-UHFFFAOYSA-N 468.587 2.026 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCO[C@H]1CCOC1 1587574138 CAQDDTUSCAKBDD-WMZOPIPTSA-N 460.604 2.200 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1ccc(OCCC)nc1)[C@@H]1CCS(=O)(=O)C1 1588050910 XRPWWGRAVXLZDT-GOSISDBHSA-N 454.556 2.132 30 10 JEEE C#CCN(CC#CC)c1nnc(Cc2ccccc2C)n1CCS(=O)(=O)N1CCSCC1 1588237420 APJZRPKEFAEYAL-UHFFFAOYSA-N 471.652 2.019 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccc(NC(=O)NC(C)C)cc2)CC1 1588752826 WXJQPVKRAYEZCV-AREMUKBSSA-N 495.628 2.264 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(=O)NCC(F)(F)F 1589163913 OGBURLJQEQKVEV-HXUWFJFHSA-N 497.547 2.217 30 10 JEEE C=CCN(CC=C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCN1CCN(C(C)=O)CC1 1595200645 LHRWHLSRQIBKOG-UHFFFAOYSA-N 460.586 2.473 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCN(C(=O)OCC(C)C)CC1 1595523066 OTJWXMUOJIRQJJ-UHFFFAOYSA-N 456.547 2.171 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(C)[C@@H](C)c1cccc(N2CCOC2=O)c1 1595784960 OZICEVOECDWNJR-KRWDZBQOSA-N 499.597 2.433 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCO[C@H](c2ccccc2F)C1 1595837971 HMYANIQUFQIXLJ-MOPGFXCFSA-N 450.536 2.447 30 10 JEEE C=CCSCCn1c(-c2cccnc2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1595866520 NXTNIOLXOUJLTR-QGZVFWFLSA-N 450.634 2.367 30 10 JEEE CCCC(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC2CC2)C1 1614316767 FMZQCKZNCMWXCP-HXUWFJFHSA-N 463.586 2.476 30 10 JEEE N#C[C@H]1CN(c2nnc(-c3ccc(F)cc3Br)n2C[C@@H]2CCCS(=O)(=O)C2)CCO1 1620354293 BFIGYOBNIQNVIH-ZFWWWQNUSA-N 498.378 2.400 30 10 JEEE C#CC[C@H]1CCN(C(=O)c2cc(S(=O)(=O)NC[C@@H]3CCCO3)ccc2Br)C1 1642245253 BWGCHVNPIBEWCP-GJZGRUSLSA-N 455.374 2.392 30 10 JEEE C=CCN([C@H](Cc1ccccc1)C(=O)OCC)S(=O)(=O)c1cccc(-c2nnnn2C)c1 1661407899 CWEVMMZGTCLWTI-HXUWFJFHSA-N 455.540 2.228 30 10 JEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(c2nccnc2C)CC1 1689916345 HQHHNPGKFXPSKA-UHFFFAOYSA-N 465.583 2.187 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1689988766 VYTCFYOLWGMMRL-LJQANCHMSA-N 451.552 2.332 30 10 JEEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1CC1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1689996179 DUGNWPNJHKRLEZ-GOSISDBHSA-N 475.640 2.477 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1690039985 ZZMQQHNGDSEZDH-QHCPKHFHSA-N 462.598 2.359 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](C)N1CCOCC1 1690087126 LELXQOPGYVKFDX-LJQANCHMSA-N 477.544 2.425 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ncccc1N(C)C 1690088524 ODNYAXGDJDQPRL-KRWDZBQOSA-N 485.589 2.177 30 10 JEEE C=C(Br)Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1690232179 BHBJNWAQAGVXII-IRXDYDNUSA-N 451.369 2.433 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1690249308 WXIBYXMTVDMQAH-AUSIDOKSSA-N 488.658 2.495 30 10 JEEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)CC(=O)N(C)[C@@H](C)c1ccccc1 1690327978 BYUCYHFLXUUXFE-HOTGVXAUSA-N 469.011 2.297 30 10 JEEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 1690484810 DVDWSRVVLAUZJB-KRWDZBQOSA-N 452.602 2.186 30 10 JEEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1690497101 HMUNJANTLKWGML-FQEVSTJZSA-N 456.595 2.232 30 10 JEEE C=CCCOCCn1c(-c2ccc(Br)s2)nnc1N1CCN(S(C)(=O)=O)CC1 1690499950 GYFWYLKXMGVOBK-UHFFFAOYSA-N 490.449 2.443 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2c(C)cc(C)cc2C)C1 1690700326 QRMSRBZZZNHHJE-RBBKRZOGSA-N 489.642 2.366 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@@H](C(=O)OC)C1 1690717464 GYKVNJSHOOOOIK-OAHLLOKOSA-N 483.388 2.308 30 10 JEEE CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCCCS(C)(=O)=O)[C@H](C)C1 1690840262 JHZLSHOEACRITE-QGZVFWFLSA-N 458.588 2.089 30 10 JEEE CC(C)NC(=O)c1nnc(N(C)C[C@@H](C)C#N)n1Cc1cccc(CN2CCO[C@@H](C)C2)c1 1690993290 HXEGAROBYZXKCK-OALUTQOASA-N 453.591 2.281 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCc1ccc(OC(F)(F)F)cc1 1692779120 BOXIURNNQBZMEJ-SCLBCKFNSA-N 490.483 2.472 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1Cc1ccc2ncccc2c1)[C@@H]1CCS(=O)(=O)C1 1705558990 NRZIKTWUIBMGFJ-OAQYLSRUSA-N 494.621 2.420 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H](C)CN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1705566062 LREJAQUKBKLOEF-HBMCJLEFSA-N 463.648 2.268 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1CCNC(=O)c1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1705571355 YWEUIMLDERLUFV-OAQYLSRUSA-N 497.646 2.296 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@H]2CCCSC2)CC1 1705634328 RPZNFUXEWJYQQK-LJQANCHMSA-N 488.683 2.094 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)ccc3Br)n2CC[S@](=O)CC)CC1 1705634526 ZUBXOGIVUJRYDQ-GDLZYMKVSA-N 480.432 2.240 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2nc3c(s2)C[C@H](C)CC3)CC1 1705635034 PIBDDGCPGIOGAI-QZTJIDSGSA-N 458.632 2.387 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](CC)c2ccccc2)CC1 1705648307 QPAQRVVXJABCPB-DENIHFKCSA-N 483.638 2.340 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CC[C@](C)(O)c2ccccc2)CC1 1705648550 UIHUGDPLMJUFJR-CPJSRVTESA-N 451.571 2.046 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CCCN2CCCC[C@H]2C)CC1 1705649999 KTTIDEFJPPGZSZ-OAQYLSRUSA-N 463.630 2.494 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CC(F)(F)c2ccccc2)CC1 1705650996 GCFJOWYNMTXBCZ-UHFFFAOYSA-N 470.524 2.158 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CC[C@@](C)(O)c2ccccc2)CC1 1705652486 AYFDTNHHMXFEIJ-PXDATVDWSA-N 451.571 2.393 30 10 JEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCCN(c2ccccc2C#N)CC1 1705664478 QDNOGHWJYMYWRP-UHFFFAOYSA-N 463.611 2.355 30 10 JEEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1ncnn1CC(F)F 1705891082 YBMKXNXJDABLAF-CQSZACIVSA-N 468.509 2.266 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](OCC=C)C1 1705903120 QOKUEZWRHSDGKE-RTBURBONSA-N 474.606 2.476 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 1705905776 GPJGQTQGTHIRQM-UHFFFAOYSA-N 466.615 2.473 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2c(ccnc2O)C1 1705912834 VTALYEFCJNPNIJ-INIZCTEOSA-N 484.582 2.165 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(CC)cc3)n2CCN2CCN(C(C)=O)CC2)C1 1705920158 RLZBMKMBGACDKM-QHCPKHFHSA-N 452.603 2.453 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 1705927658 CUBYAPPAXPEJMW-SFHVURJKSA-N 491.589 2.256 30 10 JEEE CCNC(=O)C(C)(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(C#N)CC1 1710311512 FEOULSMWWXMXHV-UHFFFAOYSA-N 465.606 2.354 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1CCN1CCN(C(C)=O)CC1 1722277298 MCROQZFWJPVBKE-UXHICEINSA-N 468.602 2.439 30 10 JEEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(Cc2nc([C@H](C)OCC)no2)CC1 1722334245 VDPJANODTCYNFC-RBUKOAKNSA-N 457.579 2.388 30 10 JEEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCNC(=O)c1cccs1 1722341858 FGMKSAHTTPIDTA-UHFFFAOYSA-N 456.959 2.422 30 10 JEEE C#CCN(c1nnc(-c2ccccc2)n1CCCN1CCCO[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1722363741 VDNZWELLTZAZBT-UNMCSNQZSA-N 471.627 2.073 30 10 JEEE C#CCN(c1nnc(-c2noc3c2COCC3)n1CC(C)(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1722368354 QHHRSHSARHDZAO-INIZCTEOSA-N 461.588 2.315 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@H]1CCCN1CC)[C@H]1CCS(=O)(=O)C1 1722371782 LNCYJSKSTSDYFI-RTWAWAEBSA-N 471.627 2.277 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ncnn1C(C)(C)C 1722382658 BRTTWTQCZQBMHR-GOSISDBHSA-N 482.589 2.054 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1722382830 OSIQJIIOPYSCPJ-GOSISDBHSA-N 461.595 2.375 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC(=O)NCc1ccco1 1722390620 STBKNXKZDFUFGV-UHFFFAOYSA-N 478.940 2.234 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCN1CCCO[C@H](C)C1 1722430202 APVIKWYXDSPPEW-LJQANCHMSA-N 463.586 2.152 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2ccc(OC)nc2OC)CC1 1722434727 YLVVBYQRLHGNOI-UHFFFAOYSA-N 463.498 2.069 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2Cc2ccc(N3CCN(CC)CC3)nc2)CC1 1722444382 IZTDRPKQHNPZIO-NRFANRHFSA-N 492.672 2.343 30 10 JEEE C#CCSCCn1c(-c2ccc(C)o2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1722456082 OXCJZUMVFDJGIA-UHFFFAOYSA-N 451.618 2.463 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1722500928 NMHIYVMOPHEWAL-SVMVAKDDSA-N 493.605 2.448 30 10 JEEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1722535839 PBNYAKSPZYUGFS-FGZHOGPDSA-N 457.623 2.279 30 10 JEEE C=CCn1c(-c2cc(OC)ccc2Br)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1722683458 PLWDVGUQXJKWFF-INIZCTEOSA-N 475.347 2.375 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1722699019 QMTKOFFQYYVGIK-JOCHJYFZSA-N 463.586 2.058 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 1722726918 CYFIAOCSEGFDLC-UHFFFAOYSA-N 451.553 2.024 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](c2ccc(F)cc2F)C1 1722727893 MFEWZYIQVQJNSB-BEFAXECRSA-N 468.526 2.239 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 1722729604 QPTSDFJCYJGNOE-UHFFFAOYSA-N 496.641 2.105 30 10 JEEE Cc1cccc(CCn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@H](S(C)(=O)=O)C2)n1 1724527790 DQVILTSAKDNFBJ-NRFANRHFSA-N 466.567 2.298 30 10 JEEE CC[C@@H]1CCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1727700826 HLAGPAWMKPDZKY-RLLQIKCJSA-N 486.646 2.308 30 10 JEEE COCCN(CCC#N)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H]1COCCO1 1730763281 DSLFFDHCJZJRPF-ROUUACIJSA-N 464.567 2.132 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC1([S@](C)=O)CC1 1740561214 YXDBAMALFGPYSK-CGKQSPDFSA-N 454.644 2.012 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1ccc(COC)cc1)[C@H]1CCS(=O)(=O)C1 1740626091 RYOIZPITXXMSCA-QFIPXVFZSA-N 465.579 2.085 30 10 JEEE C#CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC2(CC1)COC(=O)N2 1740710142 VPIMPYCCNHZCNY-UHFFFAOYSA-N 489.001 2.307 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](CC)NC(=O)OC(C)(C)C 1740730539 BJVBNVKLVUWWGX-PNLZDCPESA-N 465.620 2.476 30 10 JEEE C=CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1740871769 NQGWRLUSSKEWHR-INIZCTEOSA-N 475.479 2.392 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc3c(c2)OC(C)(C)O3)C1 1740971913 AFVIIKQWPMNTOR-DOTOQJQBSA-N 477.587 2.225 30 10 JEEE CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C 1741657630 AFIRROLWCDRTGM-VFNWGFHPSA-N 451.547 2.408 30 10 JEEE CCN1CCN(CCCn2c(-c3cccc(C#N)c3)nnc2N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)CC1 1746467193 BIJKJILSPGQEQY-PMACEKPBSA-N 487.674 2.102 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2CC2(S(C)(=O)=O)CCC2)c1 1748698313 SUVJDVVKYGUUAL-LJQANCHMSA-N 471.583 2.153 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccc(Cl)cc2C1 1748752086 RPGVWHZFJFVCKL-IBGZPJMESA-N 463.991 2.241 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCCc1nnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1748815364 PPZFERFMJJOINO-QGZVFWFLSA-N 471.612 2.068 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCSC1 1748881551 HTWUMRZDZKHQRQ-GOSISDBHSA-N 457.625 2.411 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H]2CCC[C@H]2OC)CC1 1748972739 POAVJKRVQIKWLH-PZJWPPBQSA-N 471.005 2.432 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2Cc2ccnc(-n3cccn3)c2)CC1 1749015622 ZECXNCPLLPKEDO-UHFFFAOYSA-N 460.586 2.462 30 10 JEEE C#CCSCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCCOCC1 1749044258 PPQAWCWATGVIJG-UHFFFAOYSA-N 454.644 2.236 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)N1CCc2ccccc2C1 1749054264 QQNSCJDHADEBQQ-XLNZFTOWSA-N 470.643 2.327 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1CCNS(=O)(=O)c1ccc(C)s1 1749056443 YWRZFQDUIGNSTL-YADHBBJMSA-N 493.655 2.271 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCCN(S(C)(=O)=O)CC1 1749127109 JUACDIXLONEOPR-AZUAARDMSA-N 460.604 2.101 30 10 JEEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1749488981 PXVXHMUAXPCIFM-GOSISDBHSA-N 480.539 2.337 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1C 1749689826 KWSLARFGOVLJMX-FXAWDEMLSA-N 461.588 2.213 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@H](CNC(C)=O)C1 1749723611 AFYXJVRHKXHNLD-HXUWFJFHSA-N 459.616 2.461 30 10 JEEE CC(C)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1750673018 ADIXSIFIEZSMPN-HSZRJFAPSA-N 473.599 2.151 30 10 JEEE CC(C)NC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1750994981 FLTATWRVCBLEAQ-IBGZPJMESA-N 493.593 2.244 30 10 JEEE C[C@](O)(Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1)C1CC1 1751241022 DEBOTTHXXWDCNT-IERDGZPVSA-N 462.476 2.483 30 10 JEEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1760162134 ZRULIHODOUQENR-KHUIQGCPSA-N 486.661 2.042 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCOc1ccc(F)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 1760188210 NLVPVHVGVLHJPF-HZPDHXFCSA-N 482.965 2.280 30 10 JEEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1CCc1cc(C(F)(F)F)ccn1 1760251242 TUMGKTICVJBGMG-UHFFFAOYSA-N 450.465 2.143 30 10 JEEE C#CCN1CCN(c2nnc(CSc3ccccc3OC)n2C[C@]2(O)CCSC2)CC1 1760263951 VXFGNYBNLNDFKW-JOCHJYFZSA-N 459.641 2.202 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCCNC(=O)OC(C)(C)C)CC1 1760389848 VPFDWSOKUFKNJC-GOSISDBHSA-N 498.650 2.072 30 10 JEEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1760433636 JLMHOUZGFQXFGK-MSOLQXFVSA-N 461.544 2.276 30 10 JEEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCNC(=O)c1ccccc1F 1760461526 XJDFSFLYEQSYKQ-UHFFFAOYSA-N 471.562 2.430 30 10 JEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 1760510165 IRKBKLZNNOFQIE-MSOLQXFVSA-N 485.969 2.167 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(CCOC)[C@@H](C)C1 1760518309 PTLYTADGEDKWHV-HNNXBMFYSA-N 450.946 2.197 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1760525019 QSYWLFNUPFXMLF-KRWDZBQOSA-N 456.978 2.320 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1760525203 XNQZNBNCQCCLAH-UHFFFAOYSA-N 494.518 2.075 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1760527761 HUTZVWJSQZVZJW-QGZVFWFLSA-N 463.629 2.194 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)CCC(F)(F)F 1760554115 RWAWNFQHFYKVCI-UHFFFAOYSA-N 494.565 2.228 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCCN(C(=O)c2ccsc2)CC1 1760555465 GGRJMRZIWSXFEL-SFHVURJKSA-N 493.655 2.187 30 10 JEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N(C)[C@H](C)c1cc(F)ccc1F 1760557193 CKFZTEJOBNHRRS-OAHLLOKOSA-N 467.542 2.477 30 10 JEEE CCN(CC)C(=O)CN1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCOC2)CC1 1764881268 HBYKCFCPHRCUTD-NRFANRHFSA-N 465.602 2.234 30 10 JEEE COc1ccc(CCn2c(-c3cnccn3)nnc2N2CCO[C@@H](C#N)C2)cc1Br 1770154371 CZCSOULYSIJTED-HNNXBMFYSA-N 470.331 2.478 30 10 JEEE CN(c1ccc(NC(=O)c2cccc(C#N)c2)cn1)S(=O)(=O)CCN1C(=O)c2ccccc2C1=O 1858257687 UJPHXUVVGCGUQJ-UHFFFAOYSA-N 489.513 2.268 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)C(=O)N[C@@H](CCCC)C(=O)O)c(C(=O)OCC)c1C 1860761181 PEJPFIZIJMEMFS-LBPRGKRZSA-N 454.501 2.274 30 10 JEEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@@H]1c1ccc(O)c([N+](=O)[O-])c1 1862467099 ICSHHXPEOOXVAY-SFHVURJKSA-N 479.367 2.432 30 10 JEEE O=C(C1=C(O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccc2c(c1)OCCO2)c1cccc(O)c1 1862593292 RHCPAPLUKBBCBV-JOCHJYFZSA-N 466.490 2.074 30 10 JEEE COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CCNC(C)=O)cc(Cl)c1O 1862634671 QWSZVQLYHMIHGG-LJQANCHMSA-N 488.880 2.497 30 10 JEEE COc1cc(C(=O)NCC(=O)Nc2c(C#N)nnn2-c2ccc3cc[nH]c3c2)cc(OC)c1OC 1870140284 ISSAYDBBEPDRQZ-UHFFFAOYSA-N 475.465 2.015 30 10 JEEE C=CCn1cc(OCC(=O)Nc2sc3c(c2C#N)CCC3)c(=O)cc1CSc1nnnn1C 1870223634 DKCLKNAFJRNVDP-UHFFFAOYSA-N 483.579 2.289 30 10 JEEE CCOc1cc(/C=N/Nc2cnn([C@@H]3CCS(=O)(=O)C3)c(=O)c2Br)ccc1OC 1873527438 ZIIZBHBGLVEMEU-PCQWDSEFSA-N 485.360 2.219 30 10 JEEE CC(C)N1CCN(CC#CCOC2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)CC1 1890454257 QHWGAJRTQYRLMK-UHFFFAOYSA-N 455.571 2.164 30 10 JEEE CC(C)(C)OC(=O)NC1CC(O)(C(=O)NCCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2184213851 LOGVOGXOIOPNOG-UHFFFAOYSA-N 460.380 2.063 30 10 JEEE CC(C)(C)OC(=O)NC[C@]1(O)C[C@H](C(=O)NCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2185161672 VHKRFNZUKGDESV-WVQHILGCSA-N 460.380 2.268 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@](CO)(NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2255707082 RLBRPJFEJHRJSP-OAQYLSRUSA-N 452.382 2.149 30 10 JEEE Cc1c(B2OC(C)(C)C(C)(C)O2)csc1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O 2255871935 PWNXYWNVSMURAV-LSDHHAIUSA-N 452.382 2.066 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H]1CNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2255950505 OUIYAIUKPKUBCR-KGLIPLIRSA-N 472.438 2.486 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2O)s1 2267105158 IEJYEBNBJFNVAA-HOTGVXAUSA-N 466.409 2.456 30 10 JEEE C[C@H](CNS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1)CN(C)C(=O)OC(C)(C)C 2267375354 GGOQJOTYQOOGGV-OAHLLOKOSA-N 469.413 2.162 30 10 JEEE COC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1ccoc1B1OC(C)(C)C(C)(C)O1 2267550571 BICBWDKBKXARDT-OAHLLOKOSA-N 450.341 2.287 30 10 JEEE C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2sc(B3OC(C)(C)C(C)(C)O3)cc2C1 2268642822 HZIAFFGGQVXTKB-CXAGYDPISA-N 466.409 2.206 30 10 JEEE CC(C)(C)OC(=O)N1CC(N2CCC[C@@H]2C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C1 2271806452 GISKEYRAGCNXIR-RBBKRZOGSA-N 453.587 2.307 30 10 JEEE Cc1c(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2F)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281991127 WLSVYMWTDXRNSE-GJZGRUSLSA-N 466.363 2.105 30 10 JEEE Cc1cccc(C(=O)NCCC2(O)CN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2282094230 NFEIXIGRBPOUDH-UHFFFAOYSA-N 460.380 2.396 30 10 JEEE CO[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)N(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2282176614 VKOSUOICQAHZGQ-IAGOWNOFSA-N 461.368 2.135 30 10 JEEE CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn1C 2282186349 SYTUPHSHYUKYJC-VWLOTQADSA-N 453.392 2.033 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc(B3OC(C)(C)C(C)(C)O3)o1)CCO2 2282201420 WEVWJHWYGXEREK-HSZRJFAPSA-N 462.352 2.431 30 10 JEEE CN(C[C@@H](O)CNC(=O)OC(C)(C)C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn1C1CC1 2282542528 FNRHBTIRCUYEOR-KRWDZBQOSA-N 463.384 2.080 30 10 JEEE Cc1c(C(=O)N2C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282590835 HQBALBAQXNHPFI-OAHLLOKOSA-N 462.400 2.403 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)c3sccc3B3OC(C)(C)C(C)(C)O3)C[C@@H]2[C@@H]1CO 2282686195 PGWUUQCFVWRUIX-ZOBUZTSGSA-N 478.420 2.347 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@](O)(CC(=O)N=c2ccc(Cl)c(B3OC(C)(C)C(C)(C)O3)[nH]2)C1 2283979511 NUMLSDZZLAJQJP-QFIPXVFZSA-N 481.786 2.157 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@@H]1CC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2283987966 OWRQRAIBFIWVSL-HNNXBMFYSA-N 465.331 2.484 30 10 JEEE CO[C@H](CNC(=O)OC(C)(C)C)C(=O)N1CCc2cccc(B3OC(C)(C)C(C)(C)O3)c2C1 2284003719 ICBQXWGCHPKZOR-LJQANCHMSA-N 460.380 2.410 30 10 JEEE CC(C)(C)OC(=O)N[C@H](C(=O)N1Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C1)C1COC1 2284018218 RYVSTIRTEFVEAE-IBGZPJMESA-N 458.364 2.368 30 10 JEEE CN(C)CCN(CC(=O)N=c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)[nH]1)C(=O)OC(C)(C)C 2284067364 KOLYBTYTLZNQGT-UHFFFAOYSA-N 482.818 2.193 30 10 JEEE CC(C)(C)OC(=O)N[C@H](C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1)[C@H](O)C(F)(F)F 2284131380 ZYHQXVIOCYDQHS-KBPBESRZSA-N 475.273 2.136 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CC(=O)N(Oc2ncc(Cl)cc2B2OC(C)(C)C(C)(C)O2)C1 2317252232 UKRIMGXEVWKHMP-CYBMUJFWSA-N 453.732 2.454 30 10 JEEE Cc1cccc(OC[C@@H](O)Cn2c(NN=Cc3ccccc3Cl)nc3c2c(=O)n(C)c(=O)n3C)c1 2327753939 PAEVUVGRKKXLPC-KRWDZBQOSA-N 496.955 2.281 30 10 JEEE C=CCNC(=O)NS(=O)(=O)c1ccc(CCNC(=O)C=Cc2ccc([N+](=O)[O-])s2)cc1 2330492667 OWEGJKMJCMYIJL-UHFFFAOYSA-N 464.525 2.202 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCN(c2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)C[C@H]1CO 2345725211 UTKFXMCBJWLAPD-YOEHRIQHSA-N 451.348 2.232 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H]3CC[C@H]2[C@H]3NC(=O)OC(C)(C)C)n1 2359278280 IUIXXVIFYMYKDA-XIRDDKMYSA-N 460.384 2.330 30 10 JEEE CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CCCN(C(=O)[C@@H]2C[C@@H]2B2OC(C)(C)C(C)(C)O2)C1 2359278633 HGTILVNETRRXMZ-BBWFWOEESA-N 465.400 2.348 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2C[C@@H](CN(Cc3ccccc3)C2)C1 2362351130 AYSAVLOXCPCMTG-PMACEKPBSA-N 450.392 2.313 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC[C@H]2CCN(C(=O)OC(C)(C)C)C2)n1C 2362483972 WLUNKQZTQHHJSN-INIZCTEOSA-N 462.400 2.405 30 10 JEEE Cn1cc(C(=O)N2CC[C@H]3C[C@]2(CNC(=O)OC(C)(C)C)C3)nc1B1OC(C)(C)C(C)(C)O1 2366379536 BIUKZRDOAAWWFL-GUJKFWMDSA-N 460.384 2.239 30 10 JEEE Cc1c(C(=O)N[C@@H]2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2366673758 DKQNIGCAAYZHRP-HRCADAONSA-N 460.384 2.155 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)Nc3cc(S(=O)(=O)N4CCOCC4)ccc3OCC)cc2C1=O 15989182 MEFNXIUDBPNKNG-UHFFFAOYSA-N 499.545 2.141 30 10 JEEE CCCNC(=O)CN1CCN(/C(=N/c2ccc(C(=O)O)cc2)NCc2ccc(F)cc2)CC1 21047085 QGEIAUZCVBONJR-UHFFFAOYSA-N 455.534 2.445 30 10 JEEE COc1c(C=NNc2nc(Nc3ccccc3)nc(N3CCOCC3)n2)cccc1[N+](=O)[O-] 252591891 BCXMWLXODHNMRA-UHFFFAOYSA-N 450.459 2.815 30 10 JEEE C=C1C(=O)O[C@@H]2C=C(C)[C@H](OC(C)=O)CC=C(COC(C)=O)C[C@H](OC(=O)/C(C)=C/CO)[C@@H]12 256068602 HPWMABTYJYZFLK-NOQOMJNSSA-N 462.495 2.096 30 10 JEEE biogenic N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccccc2)c(=O)n1CCc1ccc2c(c1)OCCO2 608855256 FAANLWKBYURNDA-UHFFFAOYSA-N 487.581 2.049 30 10 JEEE CN(C)[C@H](CNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)c1cccc(F)c1 616172807 UHHJEILERQDEJJ-HXUWFJFHSA-N 459.547 2.016 30 10 JEEE C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H](CO)Cc2ccccc2C(F)(F)F)cc1 1150029448 GCAQWFDDCFDKDY-HNNXBMFYSA-N 454.470 2.198 30 10 JEEE C#Cc1cccc(NC(=O)CNC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C(F)(F)F)c2)c1 1182414282 SIPRUNKDYVEGDN-CYBMUJFWSA-N 453.442 2.108 30 10 JEEE C#CCNC(=O)C1CCN(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)CC1 1220782283 GFVYXSRRQDDLDT-UHFFFAOYSA-N 452.477 2.213 30 10 JEEE C#CCN(c1nnc(-c2ccccc2)n1C[C@@H](c1ccco1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1286387979 JMOQMLKBHTYCHC-UXHICEINSA-N 453.568 2.468 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1CC[S@](=O)CC)[C@@H]1CCS(=O)(=O)C1 1286388335 NNLODLVXHXJWQD-XHDOVSQSSA-N 485.031 2.002 30 10 JEEE C#CCN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1(CS(C)(=O)=O)CC1 1286453337 ZGABMOFXBFGJIS-CALCHBBNSA-N 465.620 2.333 30 10 JEEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1286506903 PMMGSTPHBYZQRS-FPOVZHCZSA-N 474.675 2.455 30 10 JEEE C=C(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1286584996 SKGMWPMVXUQFDV-QGZVFWFLSA-N 481.022 2.203 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@H](N2CCCC2)C1 1286783074 FWDSLFGSSDIAPE-SFHVURJKSA-N 454.575 2.329 30 10 JEEE CCC[C@H](C)C(=O)NCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1293861609 FLXRYNDCSMLFOJ-FXAWDEMLSA-N 496.591 2.119 30 10 JEEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCCN(CCC)C(=O)C1 1300404261 USYAECXNEBPZFU-UHFFFAOYSA-N 457.604 2.100 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC(=O)Nc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1300490964 DALGLBZNKVDQCJ-IBGZPJMESA-N 482.541 2.053 30 10 JEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](C2CCCCC2)N(C)C)CC1 1300705927 DWHXWUKRCVRRHU-HSZRJFAPSA-N 452.651 2.405 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(=O)NC(C)C 1300806022 OLIZETNONQXZBQ-MHECFPHRSA-N 474.606 2.493 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C1CCN(CCC)CC1 1300886050 VIWJESNGCGYMIT-ZVDOUQERSA-N 465.664 2.472 30 10 JEEE C=C(C)COCCn1c(-c2cccnc2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1300983501 KELIUKUZAAGMAO-IBGZPJMESA-N 450.547 2.330 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCNC(=O)C1CCC1 1358886070 XFIRIIDXNHJARY-KRWDZBQOSA-N 461.570 2.439 30 10 JEEE C#CCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1358921186 QOSONDZYEPJBEF-GOSISDBHSA-N 470.549 2.144 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1cn2ccc(C)cc2n1)[C@@H]1CCS(=O)(=O)C1 1358963621 LEGVAWFXZPXQLK-LJQANCHMSA-N 454.600 2.498 30 10 JEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCN(C)[C@H](C)CC 1358971526 YWMJLUJVNKAODZ-GOSISDBHSA-N 455.632 2.350 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCOC(C)(C)C 1359025453 PAJSLKISOLCVFY-SFHVURJKSA-N 465.595 2.488 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2C[C@H](C(C)C)N2CCOCC2)CC1 1359043477 VJTRWNYRLHJODU-HSZRJFAPSA-N 464.614 2.268 30 10 JEEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1359056103 XYCGTLXEEVXMTH-MRXNPFEDSA-N 458.588 2.113 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCC(OC)CC1 1359114084 XFFGANJEOKZENO-ACBHZAAOSA-N 455.625 2.219 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCN(CC(=O)N(C)C2CCCCC2)CC1 1359297381 OOKYAOFDSOFNBK-UHFFFAOYSA-N 493.656 2.469 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)C[C@@H]1CCOC1 1359299099 VIBJMYGWEZIOOO-KRWDZBQOSA-N 465.558 2.011 30 10 JEEE C=CCSCCn1c(-c2ccccc2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1359339333 ASQNDGONQFQRMY-HXUWFJFHSA-N 477.656 2.495 30 10 JEEE C#Cc1cccc(NC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c2ccccc2C(F)(F)F)c1 1440333761 HRPHGORWDZZXHT-INIZCTEOSA-N 453.442 2.238 30 10 JEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1cccc(CN2CCC(CO)CC2)c1 1446029290 DBFKGRMKIKZXON-KRWDZBQOSA-N 456.568 2.068 30 10 JEEE COCCN(CCC#N)S(=O)(=O)N1CCC[C@@H]([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 1463772367 CXEZKOWOFKXLNV-RTBURBONSA-N 458.625 2.452 30 10 JEEE COc1cc(OC)cc(N2C[C@@H](C(=O)N3CCN(c4cccc(F)c4C#N)CC3)CC2=O)c1 1463870192 DOPWFWGLXZCFDE-INIZCTEOSA-N 452.486 2.416 30 10 JEEE N#Cc1cccc(NC(=O)C2CCN(C(=O)[C@@H](O)[C@@H](O)c3nc4ccccc4s3)CC2)c1 1464692630 HLJWIEGLCQEOPT-UXHICEINSA-N 450.520 2.440 30 10 JEEE CO[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1)C(C)C 1504001783 FJVFZKUATAUSOO-UXHICEINSA-N 461.588 2.413 30 10 JEEE C#CCCCn1c(COc2ccc(OC)cc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1507595079 MOFICTLXAAFWCS-UHFFFAOYSA-N 461.588 2.139 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H](C)N(C)C1CC1)[C@@H]1CCS(=O)(=O)C1 1507625154 HJWJQWGMJGVFNT-FXAWDEMLSA-N 487.626 2.072 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1cc(OC)c(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1507630640 DWTJINVTEKJSPZ-IBGZPJMESA-N 497.577 2.041 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@@]1(C)CCCO1)[C@@H]1CCS(=O)(=O)C1 1507640823 WPORUVGBLFCXNS-AUSIDOKSSA-N 458.584 2.361 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@H]1CC[C@]2(CCOC2)O1 1507643709 QOQMQXPFDGFAQZ-KBMIEXCESA-N 466.538 2.382 30 10 JEEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCN1C[C@H](C)O[C@H](C)C1 1507669227 JVFFQLXBLLQLFW-ZRZAMGCNSA-N 490.656 2.414 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCN1CCCO[C@@H](C)C1 1507680870 ONAMQVGTBBGWSY-IBGZPJMESA-N 459.616 2.309 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@]1(C)CCCO1 1507710105 IRUMPHDGOHNQEQ-DEOSSOPVSA-N 450.543 2.330 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Cl)c3)n2Cc2ccc(C(N)=O)nc2)CC1 1507734851 ZZRYTXHLRPNFON-UHFFFAOYSA-N 477.956 2.107 30 10 JEEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1507756043 XSQQMXCGSYMYHN-SFHVURJKSA-N 455.650 2.136 30 10 JEEE C#CCSCCn1c(N2CCN(c3cccc(O)c3)CC2)nnc1[C@@]1(OCC)CCOC1 1507758450 MXTKPGBGWJQAJT-HSZRJFAPSA-N 457.600 2.329 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCOc1ccc(F)cc1 1507773928 YKLXRYKDBZFUHF-NFBKMPQASA-N 491.589 2.211 30 10 JEEE C=CCn1c(N2C[C@@H](C)[C@@H](N3CCN(C(C)=O)CC3)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1508066276 NJIBEYYHRWVXRJ-PBASOCQRSA-N 487.649 2.224 30 10 JEEE C=CCn1c(COc2ccccc2F)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1508070684 DXFAWOXNRVWJFH-FQEVSTJZSA-N 458.582 2.413 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCC(CC(=O)N(C)C)CC1 1508144512 FISAJIKKZDIARL-UHFFFAOYSA-N 477.606 2.304 30 10 JEEE COCCN(C)CCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](C#N)C1 1519113204 CMZWNOHBWWQXOT-OALUTQOASA-N 477.610 2.047 30 10 JEEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1539155574 XKBLYVMJACBDBZ-GOSISDBHSA-N 480.594 2.086 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2ccccc2F)n1CCCOC)[C@H]1CCS(=O)(=O)C1 1539206808 WDFNCBSDGPTYBX-SJORKVTESA-N 450.536 2.220 30 10 JEEE C#CCN(c1nnc(-c2ccccc2)n1CCCOCC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1539210061 AMUORKGVORYQOO-JOCHJYFZSA-N 472.611 2.405 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1Cc1cccc(N(C)C)c1)[C@@H]1CCS(=O)(=O)C1 1539212158 SRDMMQQQHKJSNZ-HXUWFJFHSA-N 452.584 2.025 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1CC[C@@H]1CCO[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1539225830 QHUFYWLOYVIGFW-ILZDJORESA-N 477.656 2.466 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnn(C)c2)n1C[C@@H](C)N1CCN(CC)CC1 1539390534 QPJKLGWUCZYTQP-HXUWFJFHSA-N 464.593 2.484 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CC[C@]2(CCOC2)O1 1539423240 UXKAKVVEKASPMN-XZWCOCNFSA-N 489.617 2.473 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2oc(CC)nc2C)CC1 1539469254 PXDHIEHDUZSTQQ-VWLOTQADSA-N 484.601 2.192 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@]2(OC)CCOC2)CC1 1539476310 VFGTXFJFRBMCEO-QHCPKHFHSA-N 457.962 2.370 30 10 JEEE C#CCSCCn1c(Cc2cn3ccccc3n2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1539520716 SSOYTGVZQJJIEC-LJQANCHMSA-N 451.600 2.188 30 10 JEEE C=C(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1539684955 OQYNXYZDKBKRMC-JOCHJYFZSA-N 452.603 2.377 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(c2nccnc2C)CC1 1539688766 NRVUWHWRCHVLTP-UHFFFAOYSA-N 482.614 2.197 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 1539803587 JQBLJASWAGVWLA-OAHLLOKOSA-N 469.970 2.407 30 10 JEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H]1COc2ccccc2O1 1540035984 IZKGKFFLMSNSBM-QZTJIDSGSA-N 462.572 2.049 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H](C)O[C@H](C)C1 1540898199 CKOFEBBYOIZJSX-ZIAGYGMSSA-N 472.409 2.261 30 10 JEEE COc1ccc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)cc1N1CCCCC1=O 1544037279 HOQNEEZASIBNEK-OAHLLOKOSA-N 456.524 2.389 30 10 JEEE CCNC(=O)C1(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)CCC1 1547751511 BWTTUSICJSKMIJ-IAGOWNOFSA-N 472.615 2.381 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1cnn(CC(C)C)c1C)[C@H]1CCS(=O)(=O)C1 1588053343 CRQBBDHBJORUSQ-LEWJYISDSA-N 474.631 2.356 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCO[C@@H]1CCOC1 1588233583 LPDPWDYJYTWUNL-NHCUHLMSSA-N 487.601 2.245 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCCOc2ccc(C)cc2)CC1 1588811806 NCRJYXBAAMWEPK-NRFANRHFSA-N 471.627 2.103 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cc2ccccc2[nH]1 1593884369 HAQHONFAVDXBRF-SFHVURJKSA-N 464.979 2.481 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC(=O)NC(C)C 1595100889 WODDWMXYFNZAHH-FQEVSTJZSA-N 470.599 2.159 30 10 JEEE C[C@H](CC(=O)N(C)Cc1cc(Br)cn1C)/N=C1/NS(=O)(=O)c2ccccc21 1630594271 AJGCQCGOJJBHRW-GFCCVEGCSA-N 453.362 2.263 30 10 JEEE CCc1nnc(NC(=O)[C@@H](C)[C@H](C)NC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)s1 1630999406 FCMSOJWPUQKFIU-KBPBESRZSA-N 456.576 2.298 30 10 JEEE C=CCCC[C@@H](NC(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1)C(=O)OC 1634884392 IIMWVVXJIIOJBD-CQSZACIVSA-N 454.453 2.374 30 10 JEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Nc1cnc(N2CCOCC2)c(Br)c1 1671209186 FGARJJHTPDRRQP-UHFFFAOYSA-N 453.337 2.490 30 10 JEEE C#CCN(C(=O)NCc1ccc(CNC(=O)OC(C)(C)C)cc1F)[C@@H]1CCS(=O)(=O)C1 1674133927 LVBAMCDHVDNMBQ-QGZVFWFLSA-N 453.536 2.182 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H](CC)Oc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1689987860 DGUQPVMNCCGNCS-RTBURBONSA-N 484.557 2.359 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1Cc1ccc(N(C)C)nc1)[C@H]1CCS(=O)(=O)C1 1689993710 JYKJWGKEVLMXMF-QFIPXVFZSA-N 478.622 2.199 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1nnc(CC)s1 1690013399 NFKCZXAYNDTJKX-UHFFFAOYSA-N 458.551 2.210 30 10 JEEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cccc(CN2CCOCC2)c1 1690087106 KMTCKFQOIGOIDA-GOTSBHOMSA-N 453.587 2.342 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H](C)Oc2ccccc2C)CC1 1690113627 PDZOJTGPLAJDPT-BWKNWUBXSA-N 453.587 2.461 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2CCCNC(=O)C(C)C)CC1 1690148359 DPHXHQZNEVULDY-UHFFFAOYSA-N 464.614 2.305 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1690676224 UBNZJODVNAPCEI-DVECYGJZSA-N 455.559 2.160 30 10 JEEE CC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1)OC 1694375078 DSEAQLCATLCAER-JOCHJYFZSA-N 493.612 2.182 30 10 JEEE COCC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCCC2)CC1 1697714663 DEDQGMXALNTQSA-UHFFFAOYSA-N 451.575 2.034 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2CC2(SC)CC2)c1 1705508677 ZWJZGIPDQKRIDB-UHFFFAOYSA-N 452.584 2.352 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1csc([C@H](C)OC)n1)[C@@H]1CCS(=O)(=O)C1 1705562139 YQSRIHHKWCNYJS-GOEBONIOSA-N 451.618 2.415 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H](c1ccccc1Cl)N(C)C)[C@@H]1CCS(=O)(=O)C1 1705565470 ILXQGDOZYVTTFG-DBXWQHBBSA-N 492.045 2.365 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1Cc1nnc(CC)s1)[C@@H]1CCS(=O)(=O)C1 1705570016 JMLQKULTSHFOMX-GOSISDBHSA-N 470.624 2.266 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCC2(C1)OCCO2 1705619163 JBPQWLOAMIEDAU-MJGOQNOKSA-N 491.589 2.210 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CC12CCOCC2 1705619304 MVWNFNIBNWAQEY-HKUYNNGSSA-N 475.590 2.484 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCN1CCOC1=O 1705627597 LMUMZXICHZMXBZ-IBGZPJMESA-N 490.605 2.321 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CC(=O)Nc2c(C)cccc2C)CC1 1705650480 RMRCXNYGINIQTD-UHFFFAOYSA-N 485.592 2.485 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@@]2(C)COCCO2)CC1 1705650911 CHUGGQAACFSHMJ-SANMLTNESA-N 481.597 2.245 30 10 JEEE C=C(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1705720228 FZDYAGGFSHIUPP-NRFANRHFSA-N 463.991 2.453 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1)C(C)C 1705867921 XYEBOECXVFWWHC-VAMGGRTRSA-N 472.590 2.327 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Br)s3)n2CCNS(C)(=O)=O)C1 1705919580 HBBNBOSGMNSSCI-LBPRGKRZSA-N 476.422 2.100 30 10 JEEE CC(=O)N[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2C[C@H](C)O[C@H](C)C2)C1 1706026252 ARGQGAGJDRNNEV-ZRCGQRJVSA-N 495.628 2.333 30 10 JEEE Cc1nn(C)c(C)c1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(C#N)CC1 1707800035 HUOSFYFTKNCNFY-UHFFFAOYSA-N 453.572 2.487 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CCCc2nc(C)no2)c1 1722310099 SMVFHMDNLIHPOV-UHFFFAOYSA-N 459.514 2.059 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H](CC(C)C)NC(=O)OCC)[C@@H]1CCS(=O)(=O)C1 1722361388 MPJDDCPTOQBIOO-VQTJNVASSA-N 488.614 2.128 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H]1CCCO[C@@H]1C(C)C)[C@H]1CCS(=O)(=O)C1 1722369744 FTMSYDIWWPUIFM-VNTMZGSJSA-N 450.605 2.208 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCN1CCCCC1=O 1722395664 ABELGEAOUXWKSY-OAQYLSRUSA-N 498.628 2.452 30 10 JEEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1C[C@@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1722403384 ZIQVWUKJEYJVLL-QYZOEREBSA-N 495.584 2.409 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2CCN2CCOC[C@@H]2C)CC1 1722432187 WFPKSCAYOXJAGM-VXKWHMMOSA-N 482.629 2.293 30 10 JEEE C#CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC(=O)N(C)[C@@H](C)C1 1722464380 DLHDIWGNBJVIKF-IRXDYDNUSA-N 462.620 2.383 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N(C)CCN2C[C@H](C)O[C@H](C)C2)nnc1[C@]1(OCC)CCOC1 1722501833 QHLPHUSHOGEICF-SDPNRYTFSA-N 477.650 2.457 30 10 JEEE C=C(C)COCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)[C@H](C)CS(C)(=O)=O 1722532214 GACQWLPTHAXPJI-OAHLLOKOSA-N 460.560 2.056 30 10 JEEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1722534083 IPLXQYLMAYVSLO-UHFFFAOYSA-N 452.563 2.260 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](COCc2ccccc2)C1 1722553869 ALEVEQQTNZJTKV-UXHICEINSA-N 496.033 2.407 30 10 JEEE C=CCn1c(-c2cccc(OC)c2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1722683658 VKKAIQASDOGKEP-UHFFFAOYSA-N 452.559 2.080 30 10 JEEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](c2cccs2)N(C)C)CCO1 1729679450 HTJBKGSXIFVDTK-OALUTQOASA-N 465.583 2.132 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1[C@@H]1C[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1740618552 IZFYTFSZJLCBDJ-BHYGNILZSA-N 460.556 2.179 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccnc2)n1Cc1ccc(N2CCOCC2)c(F)c1 1740683457 HQGSDMRAYWTXEE-UHFFFAOYSA-N 450.518 2.450 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2Cc2oc(CCC)nc2C)CC1 1740705880 NOTMULLZATXXIB-IBGZPJMESA-N 454.575 2.435 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCC[C@H]2OC)CC1 1740708044 AEAKRWJBOXCILI-RTBURBONSA-N 484.626 2.051 30 10 JEEE C=C(C)COCCn1c(-c2cccc(C#N)c2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1740790491 SRTIFUKSSQOEFE-DEOSSOPVSA-N 463.542 2.224 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)C1CCCCC1)C1CC1 1740910098 JHBXTACBPMUSKB-SIKLNZKXSA-N 467.636 2.097 30 10 JEEE C=CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(CCCOCC(F)(F)F)CC1 1740945958 BKQNPCBNTPNIJV-UHFFFAOYSA-N 491.518 2.469 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@H](C(C)C)C1 1740990414 UHBWZBBRMQBQDL-KRWDZBQOSA-N 470.599 2.275 30 10 JEEE CC(=O)N(C)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCOC(C)(C)C2)CC1 1741011984 AJAGMWVBTYWEGI-UHFFFAOYSA-N 495.628 2.287 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(SC)CCC2)c1 1748691641 IFOGNNQCAHVQMI-MRXNPFEDSA-N 490.655 2.230 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2CCCN2CCOC2=O)c1 1748692041 BYDXKANQLYIZAN-LJQANCHMSA-N 466.542 2.071 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1CCC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1748808695 GEKRNLZTCFMPLM-KRWDZBQOSA-N 494.017 2.149 30 10 JEEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(SCC)c1)[C@@H]1CCS(=O)(=O)C1 1748815569 RIJNVPKLMGPTTR-MJGOQNOKSA-N 473.624 2.016 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1CCc1ccncc1)[C@@H]1CCS(=O)(=O)C1 1748823741 ASECBJFYMGLBBZ-LJQANCHMSA-N 469.542 2.261 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCc1cnn(C)c1 1748914748 IRLOQRYVLNFBFP-UHFFFAOYSA-N 455.588 2.021 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](CC)N1CCc2ccccc2C1 1748924948 AIKXORAINFRGGF-FCHUYYIVSA-N 455.628 2.477 30 10 JEEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2Cc2nccc(C(F)F)n2)CC1 1748995017 WIXZVERYDTZHST-UHFFFAOYSA-N 453.497 2.431 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2Cc2ccc(C)n(C)c2=O)CC1 1749015184 AHQPULMTVOEUGZ-UHFFFAOYSA-N 488.592 2.187 30 10 JEEE C=C(C)COCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@@H](CC(N)=O)C1 1749213447 KKXBETVUQOJLBG-SFHVURJKSA-N 489.646 2.231 30 10 JEEE C=C1CCN(c2nnc(Cc3ccsc3)n2Cc2ccc(C(=O)NCC(N)=O)cc2)CC1 1749304766 FZAXWDBAIVHTAW-UHFFFAOYSA-N 450.568 2.350 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cc2ccncc2)n1C[C@]1(O)CCS(=O)(=O)C1 1749529252 ALFKYADQDZHGAN-XMMPIXPASA-N 483.594 2.015 30 10 JEEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(S(=O)(=O)CC)CC1 1749740933 KYUBNLANYKKGNI-UHFFFAOYSA-N 464.617 2.248 30 10 JEEE CC(C)[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1750576887 AIWLWLMPDNAQSA-SANMLTNESA-N 479.629 2.358 30 10 JEEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCc1noc(CC)n1 1760121089 SBMXVSBGDVNPJO-FQEVSTJZSA-N 462.602 2.289 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1ccc(OC)cc1 1760155202 TTXAGVRRLVGOFR-NHCUHLMSSA-N 473.599 2.375 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCc1ccn(C)n1 1760253101 MRHNYKPHTIOHDV-IZAXUBKRSA-N 457.579 2.111 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2CCn2cc(Cl)cn2)CC1 1760271651 FKYCVANQXRMHLB-UHFFFAOYSA-N 457.991 2.446 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCc2cccc(F)c2)CC1 1760273161 KBXIJDNGNKZJOO-UNMCSNQZSA-N 469.561 2.350 30 10 JEEE C=CCCOCCn1c(-c2noc3c2COCC3)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1760449410 JAYZTXWIADBWEU-CQSZACIVSA-N 484.479 2.103 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1CC(=O)NCC(F)(F)F 1760478617 NIEVPZLMAOODAJ-UHFFFAOYSA-N 475.475 2.257 30 10 JEEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@H](CN(C)CCC)C1 1760521512 VLLJQKTZKBTFPA-QGZVFWFLSA-N 464.574 2.064 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@H](n2cncn2)C1 1760524285 UJMHNSIGXFHCNB-OALUTQOASA-N 499.620 2.128 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H]3COCCN3C(=O)OC(C)(C)C)nnc2N2CCNC(=O)C2)cc1 1760529474 HSORJDNWUPPVRF-FQEVSTJZSA-N 498.584 2.136 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)cc1 1760529959 MXFOTOVRCZXSID-BXWFABGCSA-N 461.588 2.100 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(Cc1cccc(F)c1)C1CC1 1760554372 BDKGDCCDCVDFPJ-QGZVFWFLSA-N 482.603 2.089 30 10 JEEE CCN(CC)c1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@@H](CNC(C)=O)C2)cn1 1764933939 CLAVBJVZPRKVKM-QHCPKHFHSA-N 488.596 2.448 30 10 JEEE CCN(CCCn1c(C(C)C)nnc1N1CCN(c2cccc(F)c2C#N)CC1)S(C)(=O)=O 1765212227 FVSTUAKJMVNJSW-UHFFFAOYSA-N 477.610 2.410 30 10 JEEE C[S@](=O)C1(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCO[C@H](C#N)C2)CCC1 1771368168 BNPPHPFEQLLOSO-QWVSSGJLSA-N 453.366 2.066 30 10 JEEE COc1ccc2nc(N3CCN(S(=O)(=O)c4ccc5c(c4)oc(=O)n5C)CC3)c(C#N)cc2c1 1857959830 VNELDAQBTZBQHP-UHFFFAOYSA-N 479.518 2.071 30 10 JEEE CCN(C(=O)c1nc(C(=O)Nc2ccccc2C#N)n2ccccc12)[C@@H]1CCS(=O)(=O)C1 1858242985 KDNLBQYODDERPK-MRXNPFEDSA-N 451.508 2.107 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)nc1C 1859757538 YRJGCTXJMBBLOE-UHFFFAOYSA-N 451.526 2.068 30 10 JEEE CCCCCCCCNC(=O)[C@H](CC(N)=O)NC(=O)c1ccc(=O)n(Cc2cccc(F)c2)c1 1861251570 GABUKVJYULYHMF-NRFANRHFSA-N 472.561 2.486 30 10 JEEE CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(O)c([N+](=O)[O-])c1 1862759551 URHZVXZIMNZLNV-GOSISDBHSA-N 456.411 2.349 30 10 JEEE CC(C)(C)c1ccc(S(=O)(=O)CCC(=O)N[C@H](CO)C(=O)Nc2ccc(C#N)cc2)cc1 1866809403 HTMVFBFRESHNNK-HXUWFJFHSA-N 457.552 2.135 30 10 JEEE C=CCn1cc(OCC(=O)NCCC)c(=O)cc1CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1870681891 KJUNSEASACAQTB-UHFFFAOYSA-N 469.542 2.170 30 10 JEEE C=CCn1c(C(=O)NCCOc2ccc(OC)cc2)cc2c(N3CCN(C(C)=O)CC3)ncnc21 1873595397 ATHGNPJTUKMPPV-UHFFFAOYSA-N 478.553 2.103 30 10 JEEE CC(C)N1C[C@@H](C(=O)NC2=C(c3nc4ccccc4s3)C(=O)CN2C[C@H]2CCCO2)CC1=O 1873711418 SPNVTQHMCPWRIH-JKSUJKDBSA-N 468.579 2.402 30 10 JEEE CN1CCN(CC#CCOC2CCN(C(=O)c3cc(-c4ccc(F)c(F)c4)on3)CC2)CC1 1889567951 IYIOVXPRJRSMMF-UHFFFAOYSA-N 458.509 2.492 30 10 JEEE Cc1ccc(-c2ccc(=O)n([C@H](C)C(=O)N3CCC(OCC#CCN4CCN(C)CC4)CC3)n2)cc1 1889636487 UNZSLAMQYPVYSF-HSZRJFAPSA-N 491.636 2.038 30 10 JEEE CCOc1ccc(-n2nnc3c(N4CCN(C(=O)c5ccc(C#N)cc5)CC4)ncnc32)cc1 1891171810 VFVWRBVZPRRXOO-UHFFFAOYSA-N 454.494 2.443 30 10 JEEE CC=Cc1ccc(OC[C@@H](O)CN2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c(OC)c1 2040444005 CMVOUJNHPGNWML-NRFANRHFSA-N 471.579 2.346 30 10 JEEE C=C[C@@]1(CO)COCCN1C(=O)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2135108528 ONKYJPDVVFEBDF-XMMPIXPASA-N 459.587 2.322 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](C[C@@H]1CCCO1)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2180981059 PSQBIYYUJPTNBF-HOTGVXAUSA-N 462.356 2.177 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@H]2[C@@H](C(=O)NCc3cccc(B4OC(C)(C)C(C)(C)O4)c3)[C@@H]21 2180981557 VOOOPXRNDXVWOO-GBESFXJTSA-N 458.364 2.236 30 10 JEEE Cn1c(C(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)cnc1CNC(=O)OC(C)(C)C 2206633497 YSPCVRMPDDCLLF-UHFFFAOYSA-N 457.340 2.391 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NCC[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)C1 2255199759 CFLBZMFKXPRGKZ-AVBDTAHFSA-N 451.564 2.171 30 10 JEEE C[C@@H]1CCC[C@@]1(NC(=O)OC(C)(C)C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2256676780 ZWMUSMVSORUWCK-ODXCJYRJSA-N 452.386 2.281 30 10 JEEE CO[C@H]1C[C@@H](CNC(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)N(C(=O)OC(C)(C)C)C1 2267009801 QLSIJMAZMQATED-HOTGVXAUSA-N 450.341 2.333 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](CNC(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)CO1 2267012961 CTEZCHYRCWRAFO-GDBMZVCRSA-N 450.341 2.238 30 10 JEEE Cc1cnc(C(=O)N=[S@](C)(=O)CCNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2267118565 LFBYZHUAXWMMOS-JGCGQSQUSA-N 467.397 2.452 30 10 JEEE CC(C)(C)OC(=O)N1CC([S@@](C)(=O)=NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267275917 VAFGPYGPNIYWQY-JGCGQSQUSA-N 465.381 2.238 30 10 JEEE CC(C)(C)OC(=O)NCCc1nc(=NC(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)s[nH]1 2267279747 KDIAYJGALPZIDD-UHFFFAOYSA-N 464.353 2.172 30 10 JEEE Cc1sc(C)c(S(=O)(=O)NOC2CN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267708162 FRIWEDGKGBKSHW-UHFFFAOYSA-N 488.437 2.493 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC1(CCOCc2ccccc2)CC1 2267716332 LTJRHELHVJORGD-UHFFFAOYSA-N 461.393 2.137 30 10 JEEE CC(C)(C)OC(=O)N[C@H](C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)C1C[C@@H]2C[C@H]2C1 2268709439 BMHYEFLKERUVIM-OBJOEFQTSA-N 464.397 2.137 30 10 JEEE CN(C(=O)OC(C)(C)C)[C@H](CC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)C(F)(F)F 2268714437 KFASWMZVYODQRF-SNVBAGLBSA-N 480.318 2.386 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(CN(C)C(=O)[C@H](CO)CNC(=O)OC(C)(C)C)s1 2268716770 VMPAPHMYURZAIO-HNNXBMFYSA-N 468.425 2.447 30 10 JEEE CC(C)(C)OC(=O)N[C@]1(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C[C@H]2CCC[C@H]21 2272679894 MIZPUDLISFCBJL-SQHYZVFZSA-N 464.397 2.281 30 10 JEEE C=C(CS(=O)(=O)N1C[C@H](COC)C[C@H]1CNC(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2273806873 DXOHOQDQBOGSMY-SJORKVTESA-N 474.429 2.365 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CO1 2279448185 KSMLPHZUHFJLBM-GOEBONIOSA-N 462.356 2.034 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cc(F)ccc2B2OC(C)(C)C(C)(C)O2)C1 2281761218 CPZZJUJMIQTBJU-KDOFPFPSSA-N 464.343 2.083 30 10 JEEE C[C@H]1CCCN(C(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)[C@H]1CNC(=O)OC(C)(C)C 2281827244 SUZBGVYFJLEBPN-RDJZCZTQSA-N 462.400 2.485 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@]2(CNC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2282018565 YNBKBMYCVJQOOP-WNSKOXEYSA-N 458.368 2.153 30 10 JEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC2(CC(OCc3ccccc3)C2)C1 2282330459 ZWJORVSFKXYYKU-UHFFFAOYSA-N 473.404 2.089 30 10 JEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H]1CC(C)(C)[C@H]1OCc1ccccc1 2282335486 QCUZFBZPMWOTSJ-PXNSSMCTSA-N 475.420 2.382 30 10 JEEE COCCN(C(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1)C1CN(C(=O)OC(C)(C)C)C1 2282511634 CQQJWTGYACGRSJ-UHFFFAOYSA-N 461.368 2.089 30 10 JEEE CC(C)(C)OC(=O)N1[C@H](CNC(=O)c2occc2B2OC(C)(C)C(C)(C)O2)C[C@H]2COC[C@@H]21 2282528882 YHVUTOANPKDIIZ-ZOBUZTSGSA-N 462.352 2.333 30 10 JEEE CC[C@@H]1CN(C(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)CC[C@@H]1NC(=O)OC(C)(C)C 2282550539 AACDWYSLJKPUEB-CVEARBPZSA-N 462.400 2.485 30 10 JEEE CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1nccc(C)c1B1OC(C)(C)C(C)(C)O1 2282570375 GGYRBNNRPCRQOD-HOTGVXAUSA-N 461.368 2.053 30 10 JEEE Cc1cnc(C(=O)N2CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]2C)c(B2OC(C)(C)C(C)(C)O2)c1 2282644671 MXGMNVNAYFAECB-DZGCQCFKSA-N 455.286 2.361 30 10 JEEE CN(C1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12)S(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2282858877 DPXAWEUKIMFVOR-ROUUACIJSA-N 478.420 2.472 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C2(CCC2)C1 2283057493 ANZZVWFDFRVYBC-HNNXBMFYSA-N 458.368 2.438 30 10 JEEE C[C@H](NC(=O)c1cn(C)[nH]c1=NC(=O)OC(C)(C)C)c1nscc1B1OC(C)(C)C(C)(C)O1 2283965135 VXTBNJNUMBOFCU-LBPRGKRZSA-N 477.396 2.436 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2OCC[C@@]2(C(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)C1 2296391686 JYLBMPNWVXCMQW-WAIKUNEKSA-N 459.352 2.345 30 10 JEEE COC(=O)c1ccc([C@H]2C(=C(O)c3cnc(C)nc3C)C(=O)C(=O)N2CCCN(C)C)cc1 2296625766 AACDPTKPIFGPRY-FQEVSTJZSA-N 452.511 2.253 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1[C@@H]2C[C@@H]2CN1S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2359282681 GYRUDVJCWCFEMR-FMKPAKJESA-N 499.464 2.117 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC(C3(NC(=O)OC(C)(C)C)CC3)C2)n1C 2362569130 VLQOAYSWSVNBGG-UHFFFAOYSA-N 460.384 2.157 30 10 JEEE CCn1cc(C(=O)N[C@@]23CC[C@@H](C2)N(C(=O)OC(C)(C)C)C3)nc1B1OC(C)(C)C(C)(C)O1 2369667957 WBAGGEOGIWADCN-WNSKOXEYSA-N 460.384 2.474 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@@](Oc2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)(C(N)=O)C1 2371931258 QUQBPLGZLVAQLB-QFIPXVFZSA-N 465.331 2.154 30 10 JEEE Cc1cc(C)n(CC(=O)Nc2ccc(C(=O)N3CCN(C(=O)c4ccco4)CC3)cc2)c(=O)c1C#N 21354834 OGWZKPOAXRHCIX-UHFFFAOYSA-N 487.516 2.167 30 10 JEEE CC/C(C)=N/Nc1nc(SCCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)n[nH]1 59889325 NQQSYCUMMXKDFM-HYARGMPZSA-N 481.604 2.144 30 10 JEEE COc1ccc(N2CCCC2=O)cc1S(=O)(=O)N(CCNC(C)=O)Cc1cccc(C#N)c1 586150460 FGGWLFVSOJVZOK-UHFFFAOYSA-N 470.551 2.021 30 10 JEEE CCN1C(=O)[C@@H](CC(=O)Nc2ccc(C(C)=O)cc2)S/C1=N\Cc1ccc(S(N)(=O)=O)cc1 726402306 FCMZYRVNNGACRK-MAVBTGMRSA-N 488.591 2.385 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1C[C@H](F)CN1Cc1cccs1 1286279364 VEMJSNVTJUHFGQ-QZWWFDLISA-N 468.624 2.020 30 10 JEEE C#CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1286349459 XKFFZMCRBYNRAV-QZTJIDSGSA-N 450.543 2.328 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1CCCOc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1286387495 RVMPUZFWVYFEAV-LJQANCHMSA-N 453.568 2.379 30 10 JEEE C#CCN(c1nnc(COCC)n1Cc1csc(-c2ccco2)n1)[C@H]1CCS(=O)(=O)C1 1286395784 NKXXELPOEUYMEW-INIZCTEOSA-N 461.569 2.206 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(F)cc3Br)n2CC[C@@H]2COCCO2)CC1 1286474169 CYLMZOIOXJXZER-QGZVFWFLSA-N 478.366 2.407 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2Cc2c(CC)nn(C)c2OC)CC1 1286483982 BVDDMCKIDJDAQK-UHFFFAOYSA-N 463.586 2.274 30 10 JEEE C#CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@@H](COC(C)C)C1 1286507781 CDIJPYCTSRCTQI-OAQYLSRUSA-N 485.658 2.449 30 10 JEEE C=C(Br)Cn1c(CC(C)C)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1286540422 AWRYFXUIMCHAPP-INIZCTEOSA-N 476.441 2.016 30 10 JEEE C=C(C)COCCn1c(N2CCN3C(=O)CC[C@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1286614813 YGSIBOTUWGUNBV-OTWHNJEPSA-N 474.606 2.453 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ccccc2OCC)CC1 1286645762 HZMJUYALINRQRC-OAQYLSRUSA-N 475.615 2.409 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@@H](C)C[C@@H](C)C1 1286815541 ATCRAXPDJZCQCL-CALCHBBNSA-N 456.576 2.004 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C)C(=O)[C@@H]1C 1286817052 OPHAYOAZJQJNMT-ZDUSSCGKSA-N 455.943 2.005 30 10 JEEE C[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1)N(C)C 1288651018 CXDZGOXVRKNXJS-DYESRHJHSA-N 454.600 2.296 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCN1S(C)(=O)=O 1300327997 GRRZJKLMYMAZDD-KSZLIROESA-N 480.635 2.232 30 10 JEEE C#CCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1300348374 JURMQRPXOHTPQC-NRFANRHFSA-N 465.558 2.400 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@](C)(O)c1ccco1)[C@H]1CCS(=O)(=O)C1 1300504166 KIKNDUIFLBJYBS-SBUREZEXSA-N 488.541 2.124 30 10 JEEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1C[C@H](CC)NC(=O)OC(C)(C)C 1300528100 PGDWMDDJFYJLIY-INIZCTEOSA-N 454.531 2.382 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C(F)(F)F)cc1 1300671470 JMBXBRBFJFXSKM-INIZCTEOSA-N 456.490 2.333 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@H]2CCO[C@H](C)C2)CC1 1300700064 LGSOKRBKLIIMGE-NJYVYQBISA-N 488.633 2.157 30 10 JEEE C#CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@](C)(C(N)=O)C1 1300741290 RRBGAHNYAXUYEK-GOSISDBHSA-N 451.394 2.114 30 10 JEEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)CCc2ccc(OC)cc2)CC1 1301216303 IDERIIQMJYODRN-NRFANRHFSA-N 466.586 2.485 30 10 JEEE C=CCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1301240573 CRDPNWZFSONHCE-RDPSFJRHSA-N 477.613 2.398 30 10 JEEE C=CCCOCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@]2(CCC(=O)N2)C1 1301258395 RIOZPDQKJUVGGX-MHECFPHRSA-N 490.605 2.038 30 10 JEEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCCN(c2nccc(OCC)n2)CC1 1301498960 VPRPDIXWHDCLET-UHFFFAOYSA-N 454.579 2.143 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCNC(=O)[C@H]1CC 1301576419 UQWVXNBMUYVFFU-QGZVFWFLSA-N 496.431 2.332 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCN(c2oc(C3CC3)nc2C#N)CC1 1301586926 KQEZRDZVCBEJNH-UHFFFAOYSA-N 473.603 2.141 30 10 JEEE C=CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@H](CC(N)=O)C1 1301611473 CDCFPWISRUMGAX-GOSISDBHSA-N 470.647 2.463 30 10 JEEE CC(=O)NC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@](C)(O)c2cccs2)CCO1 1301910647 FENBSLGPAJVPRS-HYBUGGRVSA-N 496.593 2.039 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCCCS1(=O)=O 1303627167 FLFJAVDAFMIOAN-YJBOKZPZSA-N 465.601 2.054 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N2CCc3c(cccc3N3CCOC3=O)C2)C1 1312467932 DAZXJCGESICKKE-WMZOPIPTSA-N 455.515 2.470 30 10 JEEE CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)c2nccs2)CC1 1313989449 BMBAZQCVGZIETF-KRWDZBQOSA-N 464.599 2.335 30 10 JEEE CN(C)C(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](N2CCCC2)C1 1314636417 ICSDIPNOYDPEPV-FQEVSTJZSA-N 451.575 2.272 30 10 JEEE C#CCCCCn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1358914771 GLFPRAVNUPLSTC-HXUWFJFHSA-N 455.632 2.180 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1nc2ccccc2s1 1358930561 XRXZTXFHWBFLIZ-KRWDZBQOSA-N 474.612 2.271 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC1(S(C)(=O)=O)CCC1 1359022928 RAXGQAUYCGUZOM-UHFFFAOYSA-N 468.583 2.184 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCN(CC)C1 1359025087 CJUZJUKEEOYXMW-UXHICEINSA-N 476.622 2.014 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2CCNC(=O)c2cccc(OC)c2)CC1 1359040804 GWNMUSORUCZDBG-SFHVURJKSA-N 466.586 2.196 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCCn2nc(C)cc2C)CC1 1359044887 QXNZETMZKOOWEG-OAQYLSRUSA-N 453.591 2.389 30 10 JEEE C#CCSCCn1c(N2CCC(CN3CCOCC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1359061743 LERXMQPJHPIXNX-DEOSSOPVSA-N 477.675 2.234 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1359102772 FQZPCHFAVXVGSU-PXNSSMCTSA-N 498.550 2.277 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@]2(OCC)CCOC2)n1C[C@]1(C)CN(C)C1=O 1359255957 PKDOOJGXTASTQY-LOSJGSFVSA-N 464.570 2.473 30 10 JEEE C=CCN(CC=C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1CCS(=O)(=O)C1 1359272277 ODLZJOFLKPMBDT-GOSISDBHSA-N 457.604 2.065 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1ccn(C)n1 1359282000 ORDQHGYMJWFQPK-IBGZPJMESA-N 475.594 2.202 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1359295203 UCYRTZSDXOMBGF-APWZRJJASA-N 465.558 2.468 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCCN2C(=O)OC(C)(C)C)C1 1359312913 CPEQLMRGODJSFR-RCCFBDPRSA-N 498.650 2.069 30 10 JEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2ccc(N3CCOCC3)c(F)c2)c1 1434894865 NQMKZNJBOVBZND-UHFFFAOYSA-N 451.498 2.149 30 10 JEEE C=CC[S@@](=O)(=NC(=O)C1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1)c1ccccc1 1463272467 RYLMNDJNKHYLDP-LJAQVGFWSA-N 450.586 2.369 30 10 JEEE Cc1ccc(CC(=O)N2CCN(C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC2)cc1 1478402485 AYRGDYNHLPSZIM-VQTJNVASSA-N 455.559 2.150 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@]1(O)CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1507630172 ULUSHTPMXZJZEI-IUKKYPGJSA-N 458.584 2.132 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1csc([C@H](C)OC)n1)[C@H]1CCS(=O)(=O)C1 1507631225 CDGZKCWIBMTVEQ-JZXOWHBKSA-N 479.628 2.011 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@H](C)N1CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1507631791 GFIQMGSQNRFJSX-TUFLPTIASA-N 463.648 2.267 30 10 JEEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCN(CC(=O)NCc2ccccc2)CC1 1507750063 HHASBXWMRFKAHH-UHFFFAOYSA-N 477.638 2.088 30 10 JEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](CNC(=O)c2ccccc2)C1 1507752577 BXIICFCIEPKTGE-FQEVSTJZSA-N 480.638 2.413 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccn2C)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1507801945 ZGXAHQXJHLBJBB-FXAWDEMLSA-N 462.620 2.125 30 10 JEEE C=C(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1507825153 RPNCCQCWXVJTPS-QGZVFWFLSA-N 458.538 2.307 30 10 JEEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1507941096 BKVYDYVQMDARJC-FQEVSTJZSA-N 488.658 2.320 30 10 JEEE C=CCN(c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@]1(O)CCS(=O)(=O)C1)C1CC1 1507992669 DAWRZRRBIYTKGQ-SBUREZEXSA-N 495.646 2.097 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CC=CCO1 1507995948 FESIWXULOFETMK-XLIONFOSSA-N 456.572 2.298 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCC[C@H](COC)C1 1508089857 GKHHAQQLPUPCTO-RBUKOAKNSA-N 492.621 2.142 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1508144952 VGJBWUYSVXBQOH-LJQANCHMSA-N 458.632 2.175 30 10 JEEE CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 1517598740 CLELJTCYMJRRGW-GOSISDBHSA-N 483.573 2.358 30 10 JEEE N#Cc1ccc(OCc2nnc(N3CCC(CO)CC3)n2C[C@@H](N2CCOCC2)C(F)(F)F)cc1 1521101744 HWCHRDQJRGRUDA-HXUWFJFHSA-N 494.518 2.201 30 10 JEEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1539044784 ICDVMSPRHMTTDG-UHFFFAOYSA-N 458.526 2.086 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCCOC[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1539210925 FJFMLEONAFRFLZ-IEBWSBKVSA-N 494.017 2.063 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1Cc1oc(CC)nc1C)[C@H]1CCS(=O)(=O)C1 1539213117 WAQWCEZXDSYFIK-SFHVURJKSA-N 469.567 2.488 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H](OC)c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1539231076 OBPZUIVDSCFYIE-ZCNNSNEGSA-N 462.547 2.283 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2Cc2ccc(COC)cc2)CC1 1539483323 XFRPCFYSHLCSMO-UHFFFAOYSA-N 458.566 2.424 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1539637604 RLUWIVCGAFBMCL-AVRDEDQJSA-N 474.631 2.153 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCOCc1ccccc1 1539803971 PJKMRWXWKJOGMV-SFHVURJKSA-N 469.995 2.017 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)OC1CCCC1 1540869259 HGBTVCMOLGMXCM-UHFFFAOYSA-N 451.531 2.288 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(Cc2cc(C)on2)CC1 1540900213 OGSLZCHOXNQMMB-UHFFFAOYSA-N 492.005 2.213 30 10 JEEE C=CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@@](C)(C(N)=O)C1 1540917544 ZIIKAYRXFQPVAS-JOCHJYFZSA-N 456.620 2.073 30 10 JEEE C[C@H](C#N)CN(C)c1nnc(COc2ccc(Br)cc2)n1CCN1CCCS1(=O)=O 1541118477 ASSZJUOIHOYOPW-OAHLLOKOSA-N 497.419 2.251 30 10 JEEE Cc1nn(C)c(N2CCN(c3nnc(CCc4ccccc4)n3CCC(C)(C)O)CC2)c1C#N 1543001786 BULUAIVNBGAAPF-UHFFFAOYSA-N 462.602 2.465 30 10 JEEE CCn1cc([C@H]2CN(c3nnc(COc4ccc(C#N)cc4)n3C[C@@H](C)N(C)C)CCO2)cn1 1547609985 HVLFYCGGSVAAMW-XMSQKQJNSA-N 464.574 2.473 30 10 JEEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2cc(Br)ccc2OC)CCOC1 1547918458 FNHRUAMIWNNZEX-LAUBAEHRSA-N 492.374 2.478 30 10 JEEE CN(C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(F)(F)F)CC1)S(C)(=O)=O 1554124937 HJVPWNHGQLIIDS-UHFFFAOYSA-N 472.493 2.151 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@]1(C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CCO1 1556399371 LGLSTNSJQBWDLB-DGGJZMOXSA-N 454.564 2.432 30 10 JEEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1587719319 ZKBRXADSNKWHBB-LJQANCHMSA-N 470.555 2.421 30 10 JEEE C#CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1C[C@@H]1CC(=O)N(CCOC)C1 1587931712 AVTCARNCZMPSDY-OAHLLOKOSA-N 476.375 2.281 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CC(C)(C)c1ccccn1)[C@@H]1CCS(=O)(=O)C1 1588029610 JLVYJWMHYGVRPS-LJQANCHMSA-N 486.642 2.196 30 10 JEEE C#CCN(c1nnc(-c2ccccc2)n1CC1(COC)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1588045611 NJGXHMQVNVBONS-HXUWFJFHSA-N 458.584 2.015 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H](c1cccs1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1588054197 LJCPAVKHHFTBQZ-QRVBRYPASA-N 477.656 2.163 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@H](C)N(C)C1CC1)[C@H]1CCS(=O)(=O)C1 1588069404 MWSXQJVNZQMAOG-UGKGYDQZSA-N 455.628 2.173 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1ccnc(OC(F)F)c1 1588628471 JLHVODZHHJXCJV-UHFFFAOYSA-N 495.490 2.323 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H]2CCN(CC)C2)CC1 1588763435 XQGNMZMVDZAZBL-QGZVFWFLSA-N 460.424 2.143 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@H]2CCOC2)CC1 1588954301 DPXPBWSJRZJESH-HXUWFJFHSA-N 451.571 2.074 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCc2ccc(F)cc2C)CC1 1588961680 ILBUPVSQFDITGF-UHFFFAOYSA-N 466.561 2.057 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCO[C@@H]1CCCC[C@@H]1C 1589215619 CFTPSPIDMKEHDK-FAKFISEUSA-N 479.647 2.198 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)CC(=O)N1CCOCC1 1589505339 LUEYYICFAWBFAH-RXVVDRJESA-N 470.530 2.130 30 10 JEEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(=O)c2cccc(F)c2)CC1 1593637156 YWLRQSJYQULHNR-GOSISDBHSA-N 461.563 2.248 30 10 JEEE C=C(Cl)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](C(N)=O)C1 1593884140 CSIIANGWEPONCA-HUUCEWRRSA-N 454.959 2.041 30 10 JEEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cc2ccccc2[nH]1 1593884279 HAQHONFAVDXBRF-GOSISDBHSA-N 464.979 2.481 30 10 JEEE C=CCC(C)(C)Cn1c(N2CCC3(CC2)NC(=O)N(C)C3=O)nnc1[C@]1(OCC)CCOC1 1594528244 HGBBGVRSOUGLOS-QHCPKHFHSA-N 460.579 2.053 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1)C(C)C 1595171174 QTLKAFIXHVQRIZ-YUMYIRISSA-N 456.635 2.443 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1595489729 IFAXMVUZYSTURK-JOCHJYFZSA-N 455.950 2.386 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@]2(O)CCOC2)C1 1595721184 CVBKZABAOYLMJH-GLDPYIMESA-N 477.606 2.325 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCCN(c2ccc(OC)cc2)CC1 1595797828 JCWCZPCYRBMENT-HXUWFJFHSA-N 489.642 2.498 30 10 JEEE CCOC(=O)[C@@H]1S/C(=N/C(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)N(C)[C@H]1C 1613895726 LRBUKJPGRCUIOB-YDEZNLTBSA-N 480.033 2.436 30 10 JEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1 1636087263 FURRURFCYRVJGT-OAHLLOKOSA-N 456.499 2.306 30 10 JEEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN(C)C[C@@H](O)COc2ccccc2C(F)(F)F)CC1 1653363292 ASAPDCPLVCFXAW-IEBWSBKVSA-N 456.509 2.069 30 10 JEEE C=CCN(CCc1ccco1)S(=O)(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 1661129061 MCSDRMSBNGWVOM-UHFFFAOYSA-N 454.570 2.028 30 10 JEEE N#Cc1c(Cl)cccc1S(=O)(=O)N1CCC[C@H](NS(=O)(=O)c2cccc(F)c2)C1 1662013175 BQQGENLNLQOLNC-AWEZNQCLSA-N 457.936 2.482 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)c1 1689872385 XGRZEUXURNVYRT-WCWDXBQESA-N 475.553 2.059 30 10 JEEE C#CCCCCn1c(COc2ccccc2OC)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1689904363 UAGVZODPSYOYBC-JOCHJYFZSA-N 480.569 2.436 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H](CC=C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1689977904 GUNJULOREAIVEA-NHCUHLMSSA-N 469.611 2.403 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1Cc1nccs1)[C@@H]1CCS(=O)(=O)C1 1689982936 XMEURFCPWGQMOT-MRXNPFEDSA-N 473.580 2.094 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCN1CCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1689991789 CKSLGINXYZVHLM-WIYYLYMNSA-N 459.591 2.119 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H](c1ccc(F)cc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1689994276 VKZUXUXCGGKQRG-GOTSBHOMSA-N 496.612 2.333 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC[C@@H]1CCOC1 1690034768 QVWZHNIQQHANFV-LJQANCHMSA-N 454.600 2.436 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H](C(C)C)N2CCCC2)CC1 1690113385 ICFXMFKIVMXZOL-RCZVLFRGSA-N 458.651 2.194 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2CCCO[C@@H]2CCOC2)CC1 1690148601 MIYCSXURSCQAPG-HSZRJFAPSA-N 465.598 2.339 30 10 JEEE C#CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(CO)CC1 1690174447 DLRAEBWKHOSEQD-GOSISDBHSA-N 465.620 2.162 30 10 JEEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1690189412 ZBVCPCCXFBRDBS-PXNSSMCTSA-N 488.614 2.064 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(OC)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1690214849 ZJJIIQVCZDWVLD-WZONZLPQSA-N 473.599 2.282 30 10 JEEE C=C(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1690273252 JPJPMUOUQKYSAI-UHFFFAOYSA-N 467.574 2.298 30 10 JEEE C=C(C)COCCn1c(Cn2ccc3ccccc32)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1690316755 LRTSDMDGYOPEPF-TZIWHRDSSA-N 453.543 2.234 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2cscn2)CC1 1690420237 KYONQFRLNIVFBG-MRXNPFEDSA-N 467.665 2.269 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCN(c2nc(C)cs2)CC1 1690677045 LHZUDWZWPFNWGA-UHFFFAOYSA-N 471.562 2.390 30 10 JEEE C=CCSCCn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1690744654 RABIELYGGGVOKK-ROUUACIJSA-N 457.666 2.199 30 10 JEEE C=CCSCCn1c(N2CCC[C@H](S(C)(=O)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1690752754 PTTBVIGSTCKLKW-PXNSSMCTSA-N 458.650 2.251 30 10 JEEE C#CCCCCn1c(-c2nnc(O)c3ccccc23)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1705514849 KMZYVIGTYTXUJG-INIZCTEOSA-N 454.556 2.411 30 10 JEEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1705525572 NJONUTNQOXGGPB-SFHVURJKSA-N 475.391 2.287 30 10 JEEE C#CCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(CC(=O)NCCOC)CC1 1705527845 LZOBBZLMRBTPCP-UHFFFAOYSA-N 462.957 2.036 30 10 JEEE C#CCN(c1nnc(COCC)n1C[C@@H]1[C@H](C)CCN1C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1705568651 SLLMYLUOKMHIAT-GUDVDZBRSA-N 495.646 2.087 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2OC)n1Cc1cccnc1N1CCOCC1 1705578314 NVNJKZBYQUEVGW-UHFFFAOYSA-N 472.549 2.315 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCc2nccn2C1 1705591096 FVQZUAMAPVFHNB-IBGZPJMESA-N 462.579 2.271 30 10 JEEE C#CCN(CCOC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@]1(C)COCCO1 1705629107 XIMUMRVMMVKJQE-XMMPIXPASA-N 477.606 2.284 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2C[C@H]2CCC(=O)N2)CC1 1705644730 AINGMKOVPSPJHJ-TZIWHRDSSA-N 478.597 2.279 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCN2CCC[C@H]2C)CC1 1705646018 NOQUXLVIVQIRDN-LJQANCHMSA-N 480.613 2.412 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(OCCN(C)C)cc2)CC1 1705648829 ZYOYNRFBYHGCSC-HSZRJFAPSA-N 494.640 2.127 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)Cc1ccc(C(=O)NC)cc1 1705693554 HXTHHSJUCYPBGR-UXHICEINSA-N 454.575 2.394 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2OC)nnc1N1CCO[C@@H](CNC(C)=O)C1 1705701539 CDGASJHRSINNBT-IPJJNNNSSA-N 455.559 2.276 30 10 JEEE C=C(C)COCCn1c(Cc2ccc(F)cc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1705739053 UFORZQAFRQSPGS-UHFFFAOYSA-N 456.522 2.121 30 10 JEEE C=C(Cn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1)c1ccccc1 1705742837 HBWNHYIASGXNPW-NRFANRHFSA-N 466.586 2.059 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1705791927 IKRMANDNXXRUBO-GOSISDBHSA-N 489.646 2.216 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](N2CCCC2)C1 1705792530 VIIDALBGFOZIOP-PMACEKPBSA-N 480.679 2.278 30 10 JEEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1705814097 CTQWTTAEOPWMMJ-WIYYLYMNSA-N 459.616 2.472 30 10 JEEE C=CCCOCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1705826501 WYHRSQQDDQGSSM-INIZCTEOSA-N 459.938 2.059 30 10 JEEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(N(C)C)CCOCC1 1705843290 BHLRCPPQSVMSSF-SFHVURJKSA-N 464.611 2.320 30 10 JEEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C)C(C)(C)C1 1705946753 QFIHFXZUYUFMIW-DLBZAZTESA-N 457.666 2.403 30 10 JEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 1705947048 YLPIZOTWCJJOOE-RDJZCZTQSA-N 494.639 2.170 30 10 JEEE CCCCN(C)C(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)CC1 1709587696 DPKLSTHIGALWJA-UHFFFAOYSA-N 493.612 2.150 30 10 JEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(Oc2cncc(Cl)n2)CC1 1722308877 RDHXYEBUBQWTDT-OAHLLOKOSA-N 482.010 2.183 30 10 JEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2cccc(F)c2)C1 1722317101 QKGGWRIWHCMKHS-LEWJYISDSA-N 491.589 2.132 30 10 JEEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1722324716 WVRVKRLMTTVYRF-NQIIRXRSSA-N 471.005 2.432 30 10 JEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCNC(=O)c1cccs1 1722355300 SPQULPDNNMBFOJ-MRXNPFEDSA-N 474.587 2.147 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 1722371314 VGPKCTGMFUXSJV-IHPCNDPISA-N 479.002 2.331 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC1(S(C)(=O)=O)CC1 1722390307 QDXHXAFIJOVQSE-UHFFFAOYSA-N 472.567 2.011 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@](C)(O)CCOC)CC1 1722432869 HVTVXYUSNVHAPE-OAQYLSRUSA-N 480.382 2.389 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1722494253 ODPSBMDPMLYMIA-ULQDDVLXSA-N 458.529 2.470 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccc2C)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1722497508 XCDPMUDPZWJJSJ-IFMALSPDSA-N 480.613 2.408 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](COc2ccccc2)C1 1722536973 JOHDJNNMIKEKFE-PZJWPPBQSA-N 476.599 2.057 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1722690516 JYFAVIXXNQWQDO-OALUTQOASA-N 475.615 2.351 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 1722691493 QUYVPOZYHPZXTE-KRWDZBQOSA-N 498.588 2.063 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1722695773 PLUUOJKVXGGOSW-HNNXBMFYSA-N 495.950 2.417 30 10 JEEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC(Nc2cccc(C)c2)CC1 1722702548 PJMUDGXLVYWPKD-UHFFFAOYSA-N 451.575 2.092 30 10 JEEE CCN(C)C(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@](C)(C#N)C1 1728255774 HAHYWTALMLTWPB-JOCHJYFZSA-N 472.619 2.155 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2CCN2CCSCC2)c1 1740564408 MEWQEFBFVPHWSB-UHFFFAOYSA-N 475.622 2.369 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCCN1CC)[C@H]1CCS(=O)(=O)C1 1740618883 CULLZDQSBKGKSN-MSOLQXFVSA-N 463.007 2.105 30 10 JEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1C[C@H]1CC=CCO1)[C@@H]1CCS(=O)(=O)C1 1740625120 OEHHGJCQDQMUKY-IFMALSPDSA-N 470.595 2.044 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CCCN1CCCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1740625509 OGTJWWNULRLAME-UNMCSNQZSA-N 470.643 2.155 30 10 JEEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](CC)N1CCc2ccccc2C1 1740661899 LZSYSHVJRVAXIO-WIYYLYMNSA-N 458.632 2.185 30 10 JEEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCN1CCC[C@H]1C 1740685835 RKLFEGDACJBDKB-HXUWFJFHSA-N 452.607 2.022 30 10 JEEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CC[C@@H](C)N(C)Cc2ccccc2)CC1 1740698887 OPDPCXXJGIHUQX-JOCHJYFZSA-N 463.630 2.066 30 10 JEEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1 1740779167 RPFUUUIYGXHXPW-OAHLLOKOSA-N 466.995 2.080 30 10 JEEE C=C(Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](COCCOC)C1)c1ccccc1 1740801832 DGCWQKJYGQTZKF-TZIWHRDSSA-N 460.600 2.383 30 10 JEEE C=CCC(C)(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCS(=O)(=O)CC1 1740844561 MFFFVBGFYPTOBK-UHFFFAOYSA-N 452.602 2.186 30 10 JEEE C=CCn1c(COc2ccc(Br)cc2)nnc1N(C)CC(=O)N1CCOCC1 1740949144 JNBKCVWHYRTJGY-UHFFFAOYSA-N 450.337 2.101 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 1740950779 HKVXJJNMBBHQGC-KRWDZBQOSA-N 464.929 2.089 30 10 JEEE C=CCNC(=O)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC[C@H](C(=O)NCCC)C1 1740962339 ATLJGJDCYBFTGD-SFHVURJKSA-N 463.586 2.395 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(c2cnn(C)c2)CC1 1740988885 SDQJFOKQRXRUCE-UHFFFAOYSA-N 493.996 2.399 30 10 JEEE CC(C)COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCO[C@H]2C)CC1 1741576157 BSGRGADJQXRQRM-UUOWRZLLSA-N 468.558 2.271 30 10 JEEE CCC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CCO1 1745355370 AGICCRCXRXQZAN-PZJWPPBQSA-N 488.614 2.016 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc(S(C)(=O)=O)cc1 1748666205 ZRTGCEIUQZUFOX-MRXNPFEDSA-N 486.623 2.148 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC1(CCOC)CCCCC1)[C@H]1CCS(=O)(=O)C1 1748811782 LHKDENCQNIPKJQ-FQEVSTJZSA-N 474.631 2.292 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H](c1ccccc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1748811797 LOTWBMOSESILFE-UNMCSNQZSA-N 466.611 2.213 30 10 JEEE C#CCN1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CC[C@@H](OCC)C(C)C)CC1 1748986480 AOGISOQFOBQGKA-JOCHJYFZSA-N 477.613 2.398 30 10 JEEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1749024448 QRGJHELYZWXVRV-IBGZPJMESA-N 471.627 2.487 30 10 JEEE C=CCNC(=O)Cn1c(N2CCN(c3ccccc3C)CC2)nnc1[C@]1(OC(C)C)CCOC1 1749682349 SFRCAIXQOGYQQN-VWLOTQADSA-N 468.602 2.256 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC(CNC(C)=O)CC1 1749730707 NQBWBCNPSSFWNC-UHFFFAOYSA-N 470.599 2.380 30 10 JEEE N#C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CCc2ccc(Br)s2)CCO1 1750387773 AQJBFIONCQUMJH-CYBMUJFWSA-N 465.377 2.196 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1CCN(C(C)=O)CC1 1760112688 LECDSLZVZLXDFB-SFHVURJKSA-N 450.591 2.169 30 10 JEEE C#CCCCn1c(N2CCN(C(=O)c3ccccc3O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1760160081 YNTXEVOGKXRGRG-VWLOTQADSA-N 467.570 2.400 30 10 JEEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCOc1cccc(C(F)(F)F)n1 1760167977 JPVZZBHWFZDXRY-UHFFFAOYSA-N 469.431 2.483 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccccc2COC)CC1 1760271277 SEWBXABDKPRIGJ-UHFFFAOYSA-N 475.597 2.300 30 10 JEEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H]2CCCN2C[C@H]1C 1760276065 RORVCLYNYYMOIM-IEBWSBKVSA-N 459.641 2.388 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2ccccc2)C[C@@H]1C 1760357375 IRPFHDGNJVQDHX-UNMCSNQZSA-N 473.643 2.484 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@H]1CCCN(Cc2ccccc2)C1 1760514900 NZWWRFKDDLLIOX-NRFANRHFSA-N 488.596 2.328 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(Cc3csc(C)n3)n2CCc2ccc(S(N)(=O)=O)cc2)C1 1760545726 AKTODBZKDUQEEE-LJQANCHMSA-N 488.639 2.305 30 10 JEEE C[C@@H]1C[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N(C)C2CCN(S(C)(=O)=O)CC2)CCO1 1762742488 IAOBDQUNWFKQEH-IEBWSBKVSA-N 472.615 2.492 30 10 JEEE COc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@H]2CCCCS2(=O)=O)cc1OC 1768495473 GRYJQQSQJUZZJK-HRAATJIYSA-N 463.535 2.372 30 10 JEEE CO[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)c2cccs2)C[C@H]1OC 1770297954 BODYCARERBYDSC-HDICACEKSA-N 452.540 2.158 30 10 JEEE CS(=O)(=O)N1CCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](C(F)(F)F)C1 1771360931 GWOXUAFBAVOOGK-SJORKVTESA-N 484.504 2.008 30 10 JEEE COc1ccc(-n2nnc(C#N)c2NC(=O)[C@H](C(C)C)N2C(=O)c3ccccc3C2=O)cc1OC 1870143528 PZDBQIXVMPBEOB-FQEVSTJZSA-N 474.477 2.415 30 10 JEEE N#Cc1c(NC(=O)COc2cn(Cc3ccco3)c(CN3CC(O)C3)cc2=O)sc2c1CCC2 1870324525 NXFXBDKUSNVWRU-UHFFFAOYSA-N 480.546 2.105 30 10 JEEE C=CCn1c(C(=O)N2CCN(C)CC2)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873560835 OMJDODQFMUUDSD-UHFFFAOYSA-N 475.597 2.340 30 10 JEEE CCOc1ccccc1OCc1nnc(SCC(N)=O)n1/N=C/c1ccc(OC)c(O)c1 1874241181 SWPBUKSNKXKZCE-FOKLQQMPSA-N 457.512 2.430 30 10 JEEE CCOc1cc(/C=N/n2c(CNC(C)=O)nnc2SCC(N)=O)ccc1OCc1ccccc1 1874432540 LBJDRPZFIXSGHR-RPPGKUMJSA-N 482.566 2.352 30 10 JEEE CNc1ncnc(-n2c(C)nc(I)c2I)c1C#N 2038220452 AHEGUWNGWIDLGV-UHFFFAOYSA-N 466.024 2.093 30 10 JEEE CC1(C)OB(c2scnc2C(=O)NCC2CN(C(=O)OCc3ccccc3)C2)OC1(C)C 2243389137 HFKCORVUZXHDHO-UHFFFAOYSA-N 457.361 2.441 30 10 JEEE CC1(C)OB(c2cscc2S(=O)(=O)N(CCC(N)=O)Cc2ccccc2)OC1(C)C 2247894593 ITEPAUXDFUZRBG-UHFFFAOYSA-N 450.391 2.114 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N[C@]2(C(=O)O)CCCN(C(=O)OC(C)(C)C)C2)C1 2266505832 HFVMDQYDKLTOQO-LAIYQSPOSA-N 465.547 2.264 30 10 JEEE Cn1nc(C(=O)N[C@H]2CC[C@@H]2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2267197420 KTJASFGDWKZSOF-OLZOCXBDSA-N 468.791 2.406 30 10 JEEE COc1ccc(S(=O)(=O)NC[C@H](C)NC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2267466093 VFLBLVTXTIRPCG-AWEZNQCLSA-N 470.397 2.186 30 10 JEEE CC(C)(C)OC(=O)NC1CCS(=O)(=NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CC1 2267522804 WOYUZFAFFSBZRP-UHFFFAOYSA-N 468.385 2.004 30 10 JEEE COC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)Oc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2269019389 FEXCZACTBZXLFV-SWLSCSKDSA-N 454.304 2.354 30 10 JEEE Cc1cnc(C(=O)NC[C@@H]2COCCN2Cc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)c1 2281956290 WKWGRYAQPBYFQP-HXUWFJFHSA-N 451.376 2.320 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(C)C[C@]1(O)CCN(Cc2ccccc2)C1 2281958491 GUWLZZLNPZKHTQ-XMMPIXPASA-N 471.432 2.460 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H](NC(=O)OC(C)(C)C)C2(CC2)C1 2281970847 SOQJCMHYXOAGJH-MRXNPFEDSA-N 460.384 2.332 30 10 JEEE CCn1cc(C(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)nc1B1OC(C)(C)C(C)(C)O1 2282033464 UNFZYSFMNGBFLY-CVEARBPZSA-N 462.400 2.435 30 10 JEEE CC1(C)OB(c2cnc(C(=O)N[C@@H]3COCCN(C(=O)OCc4ccccc4)C3)c(F)c2)OC1(C)C 2282034994 PECUBIJYGSAIKY-IBGZPJMESA-N 499.348 2.287 30 10 JEEE Cn1ncc(C(=O)N2C[C@H](NC(=O)OC(C)(C)C)C3(CCC3)C2)c1B1OC(C)(C)C(C)(C)O1 2282058523 VRDJDBLVXKOMEE-INIZCTEOSA-N 460.384 2.239 30 10 JEEE Cc1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H](O)C2)ccc1B1OC(C)(C)C(C)(C)O1 2282120224 DACOEBSKQSTMQV-GOSISDBHSA-N 460.380 2.348 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2CN(C(=O)C3(B4OC(C)(C)C(C)(C)O4)CCC3)CCN2C1=O 2282485212 OSMJVOSOVXDHSL-JKSUJKDBSA-N 463.384 2.339 30 10 JEEE CCCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NCCOCCNC(=O)OC(C)(C)C 2282528038 LSOSETUWWSRLMR-UHFFFAOYSA-N 465.400 2.468 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC12CC(CN1C(=O)OC(C)(C)C)C2 2282586684 BRAWORCVKDZXJW-UHFFFAOYSA-N 460.384 2.157 30 10 JEEE COCC1(CNC(=O)c2c(C)nsc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2282595846 ZMUPDIZAORKFKG-UHFFFAOYSA-N 481.424 2.364 30 10 JEEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)CC1(C)C 2282698999 GOLTYUNMJAPFKR-CQSZACIVSA-N 463.388 2.022 30 10 JEEE Cc1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC1(CNC(=O)OC(C)(C)C)COC1 2285965903 MXRQVXYPAVZSFN-UHFFFAOYSA-N 464.343 2.457 30 10 JEEE CC(C)(C)OC(=O)NC[C@]12C[C@H]1CN(S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1)C2 2288266526 LJJLCQHOXIUGAL-QKKBWIMNSA-N 499.464 2.119 30 10 JEEE Cc1ccc([C@H]2C(=C(O)c3ccc(S(=O)(=O)N(C)C)cc3)C(=O)C(=O)N2CCN(C)C)cc1 2296091477 QGJQFCZJBLRZLP-NRFANRHFSA-N 471.579 2.229 30 10 JEEE COc1ccc2[nH]c(C(=O)O)c(C=Nn3c(SCC(=O)NC4CCCC4)nnc(C)c3=O)c2c1 2321655265 SPNCYZHRVSMVOD-UHFFFAOYSA-N 484.538 2.168 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@H]2C[C@H](NC(=O)c3nscc3B3OC(C)(C)C(C)(C)O3)C[C@@H]21 2369087219 BRGHWQLAWLTVSK-VNQPRFMTSA-N 479.408 2.339 30 10 JEEE Cn1c(=O)c2c(nc(NN=C(C(=O)O)c3ccccc3)n2C/C=C/c2ccccc2)n(C)c1=O 606351501 MDOVKAOSVUNNHC-RLLJJEIQSA-N 458.478 2.048 30 10 JEEE N#Cc1ccc(OC(F)F)c(NS(=O)(=O)c2ccc(N3C[C@H](C(=O)O)CC3=O)cc2)c1 609068933 ADCUUDMTMSEJQV-GFCCVEGCSA-N 451.407 2.398 30 10 JEEE COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)ON=Cc1ccc(N2CCOCC2)cc1 852054668 DWTCEPNFFOSKCI-KRWDZBQOSA-N 490.582 2.160 30 10 JEEE N#CCc1ccc(OC[C@@H](O)CN2CCC[C@H](S(=O)(=O)N3CCc4ccccc43)C2)cc1 1169078448 HLSMZWPIQIOEMI-GMAHTHKFSA-N 455.580 2.349 30 10 JEEE C#CCN(c1nnc(-c2ccccc2)n1CCCC(=O)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1286387262 PJJPYGGUFQOKKR-FQEVSTJZSA-N 457.600 2.220 30 10 JEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1CC1(N2CCSCC2)CCCC1 1286432342 GBZZTMFMXRBVRB-UHFFFAOYSA-N 454.644 2.225 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC[C@H](S(=O)(=O)N(C)CCOC)C2)nnc1C(C)(C)C 1286561651 FVOSVQOTVHGBSL-AABGKKOBSA-N 483.679 2.434 30 10 JEEE C=C(Cl)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1286623428 RQRODRHODFHVMY-KXBFYZLASA-N 466.007 2.258 30 10 JEEE C=CCCCn1c(N2CCN(c3ccc(C(N)=O)cc3)CC2)nnc1[C@@]1(OCC)CCOC1 1286705293 XBCQWZCWVBLMHY-XMMPIXPASA-N 454.575 2.322 30 10 JEEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CC(=O)N(c2ccccc2)C1)C1CC1 1286732332 PWUJFCANNHVGEA-SJORKVTESA-N 458.588 2.096 30 10 JEEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN([C@@H](C)c2ccc(F)cc2F)CC1 1286770935 OCUGOENASSAFGW-CABCVRRESA-N 454.547 2.236 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@@H](C)[C@H](C)C1 1286818259 FGSWESALKPVXNT-IAGOWNOFSA-N 480.660 2.321 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1286824011 UATHPHKPQHSUBN-DEOSSOPVSA-N 489.642 2.067 30 10 JEEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1286829491 DLMLXHGBVVIVTE-JYJNAYRXSA-N 450.609 2.498 30 10 JEEE CCN(CC)[C@H](C)Cn1c(-c2cccn2C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1295369214 AXRXMZKIWPXMAF-RTBURBONSA-N 462.606 2.391 30 10 JEEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1300344824 JIZAAHPRZPZCDC-IBGZPJMESA-N 464.613 2.166 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CCc1ccc(C=C)cc1)[C@@H]1CCS(=O)(=O)C1 1300482845 IDXYZICRHSSLBZ-RDGATRHJSA-N 484.622 2.443 30 10 JEEE C#CCN(c1nnc([C@@H](C)CC)n1CCc1cnc2c(Cl)cnn2c1)[C@@H]1CCS(=O)(=O)C1 1300483363 JPIWZGUOGLHIBF-DOTOQJQBSA-N 476.006 2.357 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1CCOCC)[C@H]1CCS(=O)(=O)C1 1300485306 YTNYHIYNJUOCFT-INIZCTEOSA-N 454.499 2.210 30 10 JEEE C#CCN(c1nnc(-c2cc(-c3ccccc3)on2)n1CCC(=O)NCCC)[C@@H]1CCS(=O)(=O)C1 1300493083 QLKCZOHRYYRDLA-LJQANCHMSA-N 496.593 2.143 30 10 JEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CCn1c(O)nc2ccccc21 1300544754 DROJMPYOVXBMOD-UHFFFAOYSA-N 459.535 2.098 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)N2C[C@@H](C)O[C@H](C)C2)CC1 1300708380 RQPGXBIBJSVRJQ-FGZHOGPDSA-N 491.640 2.372 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H](C2CCCCC2)N(C)C)CC1 1300726182 MISIPCMIDJOQJQ-FGZHOGPDSA-N 456.635 2.258 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2CC[S@@](=O)C(C)(C)C)CC1 1300728625 BUYWMRQYMIFITA-UUWRZZSWSA-N 485.654 2.413 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(Br)cn2C)nnc1N1CCN(C)C(=O)C1 1300868880 IBXBPYUPNNSGAG-KDOFPFPSSA-N 463.380 2.306 30 10 JEEE C=C(C)Cn1c(N2CCN(CC(=O)N3CCCCCC3)CC2)nnc1[C@]1(OCC)CCOC1 1300970075 JKZAQXNYLHKEHM-DEOSSOPVSA-N 460.623 2.031 30 10 JEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2cccc(F)c2)C1 1301223168 OHKFPINAAZIYLU-UXHICEINSA-N 479.578 2.294 30 10 JEEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2c(F)cccc2OC)CC1 1301251225 ACGLSXQJNYFTGA-SFHVURJKSA-N 458.538 2.296 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1301485155 SAHDFCOZSWWHAY-YJYMSZOUSA-N 482.404 2.456 30 10 JEEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2c(C)cccc2C1 1301611274 ANEUNHXNVCSUOO-FQEVSTJZSA-N 477.656 2.401 30 10 JEEE CCN(CC)[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)C1)c1ccco1 1313672673 AHCIPMSHUJGFMO-FQEVSTJZSA-N 463.542 2.341 30 10 JEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)[C@@H]2CCO[C@@H]2CNC(=O)OC(C)(C)C)cc1 1355508324 MNZAVLLYXDZGJQ-QZTJIDSGSA-N 453.561 2.361 30 10 JEEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@@]1(O)CCS(=O)(=O)C1 1358896414 CSAVOPJQLVKOHC-MBSDFSHPSA-N 460.600 2.296 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CC1CCC(OC)CC1)[C@H]1CCS(=O)(=O)C1 1358955724 RWCVRJTVHYZBCR-SYYJFZTOSA-N 479.647 2.028 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCN(C)Cc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1358964024 RSURASLIOUJPDG-RBBKRZOGSA-N 489.617 2.070 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(OC)c(Br)c1 1358978317 JFXXOQBYPJNMQP-QGZVFWFLSA-N 491.411 2.267 30 10 JEEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1cccnc1OC 1358993850 YFILDQUTYROPSG-UHFFFAOYSA-N 456.554 2.367 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1359090224 XHGAEHQGZOZFKD-IKGGRYGDSA-N 484.523 2.000 30 10 JEEE C=C(Cl)Cn1c(N2CCN3C(=O)NC[C@@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1359157717 RSIUCHZVWRINCO-QLFBSQMISA-N 451.959 2.015 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1359295235 VIYGEZFIWHXKEM-HYBUGGRVSA-N 493.656 2.189 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1359304193 PUMDSZLSABFSGO-CYFREDJKSA-N 455.559 2.160 30 10 JEEE C=CCSCCn1c(-c2ccccn2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1359340783 ZOWVLRQMRSIFNA-IBGZPJMESA-N 455.632 2.392 30 10 JEEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1507558451 QXKYXAKTCFGTCY-DENIHFKCSA-N 471.627 2.309 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCc1ccc(Cl)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1507631583 QTTKRBUGHMMRHX-SFHVURJKSA-N 489.001 2.210 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc[nH]2)n1C[C@@H]1C[C@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1507708250 FTKYWWOVNSXMSQ-CMKODMSKSA-N 470.574 2.384 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)N2CCC(OC)CC2)CC1 1507722604 BHFVLXRMYVXTKA-UHFFFAOYSA-N 461.614 2.461 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2ccc(-n3ccnc3C)c(F)c2)CC1 1507741127 MFQNDKFKNBHGJM-UHFFFAOYSA-N 479.560 2.462 30 10 JEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2ccc(-n3cccn3)cc2)CC1 1507882851 XBPGIXQDRRCKRG-GOSISDBHSA-N 455.588 2.473 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1-n1cccn1 1508022470 ZDHXRSUTRONREG-NRFANRHFSA-N 483.598 2.023 30 10 JEEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCC(CC(=O)N2CCN(CC)CC2)CC1 1508095025 KOBICRQPEFLLAD-UHFFFAOYSA-N 485.677 2.084 30 10 JEEE C=CCOc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(C(=O)OC)CC2)cc1 1508099993 AVAGMESMHIPCNT-IBGZPJMESA-N 474.583 2.183 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@@H](CC(N)=O)C1 1508134663 VCKIRUUYCUKZAM-HNNXBMFYSA-N 451.980 2.291 30 10 JEEE CSC1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@](C)(C(N)=O)C2)CCN(C)CC1 1519914372 BQTACLHAIWZDJM-JOCHJYFZSA-N 453.616 2.346 30 10 JEEE C#CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1539097209 FXWZLFXZBDWPGN-DVECYGJZSA-N 480.613 2.365 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(Br)cc2Cl)n1CCCNS(C)(=O)=O 1539246843 RTZANGLRYHSULV-UHFFFAOYSA-N 484.807 2.373 30 10 JEEE C#CCN(CCOC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@H]1CCCS(=O)(=O)C1 1539395909 KAZBGBRYLXIEHU-ZWKOTPCHSA-N 464.563 2.468 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCCO3)n2C[C@H]2CCCN(C(C)=O)C2)n1 1539424179 NDKMAYAGMPNRLU-JTHBVZDNSA-N 483.617 2.261 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1539622181 DTOMICARZWIVCP-YYWHXJBOSA-N 470.599 2.268 30 10 JEEE CC(C)[C@H](NC(=O)COc1ccccc1)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 1540590769 ABTNJDMMGFCGGN-NRFANRHFSA-N 451.527 2.292 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCCC(F)(F)F 1541942406 CYBPZERNAWCIKR-OAHLLOKOSA-N 485.536 2.429 30 10 JEEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC(=O)NCCO 1566308578 YMCPXKLAVSLIAF-JOCHJYFZSA-N 451.523 2.085 30 10 JEEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1587697833 YSYQIBXRYQVNPD-UHFFFAOYSA-N 452.559 2.490 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CCCCCS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 1588041133 UYHDNDJJPRVFDP-LJQANCHMSA-N 499.058 2.440 30 10 JEEE C#CCN(c1nnc(CCOc2ccccc2)n1CC[C@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1588069059 GLHXIWBOHOQPKX-IFMALSPDSA-N 472.611 2.486 30 10 JEEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1588089380 KHFJLFGMMSQEEZ-BKSPAHHJSA-N 457.619 2.279 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@](O)(c1ccccc1)C(F)(F)F 1588385553 IJYIPSXMUJJZJM-DNVCBOLYSA-N 456.490 2.090 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1CCCC1 1588550267 LRCABDUDDQLXLK-HXUWFJFHSA-N 459.591 2.445 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCCCCS(C)(=O)=O)CC1 1588848906 QKMUWUCAXFAFHI-UHFFFAOYSA-N 464.035 2.492 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2CC2C[C@H](C)O[C@@H](C)C2)CC1 1588884551 DWQYVMSPSKFVAF-ROUUACIJSA-N 472.634 2.366 30 10 JEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC(NC(=O)c2ccccc2C)CC1 1589109576 GIGUYHPFNBKWDH-UHFFFAOYSA-N 480.638 2.474 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1589731738 UWSHAGMBBCDFRN-HOTGVXAUSA-N 469.633 2.029 30 10 JEEE C=C(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1593600029 BAKHDUKBNQFJST-LJQANCHMSA-N 491.614 2.169 30 10 JEEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(-c2ccccn2)n1CCN(C)CC(F)(F)F 1612884851 HNAUIYWBTQUFQU-INIZCTEOSA-N 486.506 2.211 30 10 JEEE COc1cccc(CCn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@H](C#N)C2)c1 1619363199 CWLQPSKQLULRAQ-GOSISDBHSA-N 452.540 2.250 30 10 JEEE C=CCOC[C@@H](NC(=O)c1cc(S(=O)(=O)Nc2cccc(F)c2)ccc1F)C(=O)OC 1634063587 LUZZLWIFEPORIU-GOSISDBHSA-N 454.451 2.240 30 10 JEEE Cn1cc(CN(CCn2ccnc2)C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)cn1 1636222271 GGYSVCKEZUGSSO-SFHVURJKSA-N 451.918 2.224 30 10 JEEE C=C[C@@H]1OCC[C@H]1NC(=O)c1cc(Br)cn(CCNC(=O)OC(C)(C)C)c1=O 1636857097 WIHOAOFWLCEEMO-CABCVRRESA-N 456.337 2.209 30 10 JEEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CC2(O)CCCCC2)c1 1649663953 HBDJQRYZTZAVOR-NRFANRHFSA-N 476.578 2.333 30 10 JEEE Cc1ccc(S(=O)(=O)NC[C@@H](NS(=O)(=O)N(C)CCC#N)c2ccccc2)c(C)c1 1660240729 GQSQOUSBBWXFHU-LJQANCHMSA-N 450.586 2.003 30 10 JEEE C=CCCc1ccc(S(=O)(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)cc1 1661419069 LGEBOYPHEBYBBX-HXUWFJFHSA-N 457.600 2.379 30 10 JEEE C#CC[C@H](CCOC)NC(=O)N1CCN(C(=O)COc2ccc(Br)cc2)CC1 1684426244 VGXCLDFLDBNGEB-QGZVFWFLSA-N 452.349 2.110 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)Nc3ccccn3)n2CCN2CC=CCC2)c1 1689868246 ANVCQSVIDRDYJT-UHFFFAOYSA-N 484.564 2.244 30 10 JEEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(C)=O)C[C@H]1C 1689931729 GOEAELMMPWKMHF-IEBWSBKVSA-N 460.579 2.057 30 10 JEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1CCN1CCSCC1)[C@@H]1CCS(=O)(=O)C1 1689991965 FCEVYQGCZAJZJD-HXUWFJFHSA-N 494.086 2.198 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@@H](C2CC2)N(C)C)CC1 1690115072 QIXVCZKNGIWEEH-FQEVSTJZSA-N 468.602 2.066 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H](C)Oc2ccccc2)CC1 1690132407 PJBHVLMZNJKIJU-LJQANCHMSA-N 464.595 2.492 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2Cc2cccc(N3CCOCC3)n2)CC1 1690136565 HGHVGEDBEYGVTE-LJQANCHMSA-N 465.602 2.037 30 10 JEEE C#CCSCCn1c(COc2ccccc2F)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1690185264 WGJDFEKENPOCHK-UHFFFAOYSA-N 487.601 2.438 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N1CCO[C@H](CNC(C)=O)C1 1690252544 GBEBMWQAJANZAY-PWHSHALESA-N 473.549 2.319 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1690253645 RZRXDPHGKGXVRM-WPYKKVEZSA-N 469.586 2.406 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 1690313296 PRNNZJPEQUMQLG-MSOLQXFVSA-N 483.635 2.124 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@]2(O)CCO[C@H]2C)C1 1690684626 JPKMZKLMLAHPBV-NRYAXDJKSA-N 455.559 2.468 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1690729256 KDCLGTIBHCSSNR-HXUWFJFHSA-N 487.626 2.358 30 10 JEEE CCN1C[C@@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2CC2CCS(=O)(=O)CC2)C[C@@H]1C 1695813208 FENOFZHJZISCBY-RBUKOAKNSA-N 486.642 2.472 30 10 JEEE CS(=O)(=O)C1(Cn2c(-c3ccc(F)cc3Br)nnc2N2CCO[C@@H](C#N)C2)CC1 1698292698 AZNZADCLFPVRKB-ZDUSSCGKSA-N 484.351 2.153 30 10 JEEE C#CCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1705510409 ZPAXDFFETHGXLT-UHFFFAOYSA-N 453.547 2.303 30 10 JEEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCNC(=O)c1cccc(O)c1 1705553301 WPPCELKSVTTZEY-UHFFFAOYSA-N 474.569 2.047 30 10 JEEE C#CCN(c1nnc(C2CCC2)n1CCN(C)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1705565901 KPABVSNBWUGUBR-QGZVFWFLSA-N 451.593 2.039 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1NC(=O)CC1(C)C 1705878234 LQSCUXNJRCANPC-UXHICEINSA-N 471.627 2.330 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1705897648 QUKDYSGJFOOGSB-GJZGRUSLSA-N 498.481 2.364 30 10 JEEE C[C@@](O)(Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(NS(C)(=O)=O)CC1)c1cccs1 1706897586 DBTZFZXXVPIWBE-JOCHJYFZSA-N 486.623 2.304 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1cccc(CN2CCOCC2)c1 1722282551 ZEDDKBDHNPDNDG-NLFFAJNJSA-N 453.587 2.269 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1[C@H]1C[C@H](c2ccccc2C)C1 1722296978 WVVYACKJEFHFQG-ANTGDGSKSA-N 457.600 2.496 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1CCc1ccc(OCC(F)(F)F)nc1 1722299586 QXFZGZIKIIRVCV-OAHLLOKOSA-N 450.465 2.437 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCc1nc(C(C)(C)C)cs1)[C@H]1CCS(=O)(=O)C1 1722361422 NBCYBOHXQMMMLX-KRWDZBQOSA-N 487.655 2.302 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(C)CCOCC1 1722390977 YXFTWFVPTOLVHN-UHFFFAOYSA-N 469.611 2.475 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCN1CCSCC1 1722419342 XWSPGFMHMWWMMX-UHFFFAOYSA-N 456.616 2.282 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1CCCN1CCCO[C@@H](C)C1 1722426305 GFZQBRYJIPZICJ-REWPJTCUSA-N 469.586 2.378 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCC[C@@H]2C(F)(F)F)CC1 1722432196 WMDUGRJQSJRPAU-ULQDDVLXSA-N 476.569 2.012 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCc2c(ccnc2N(C)C)C1 1722495675 YHYWOFNTPATXLE-QUCCMNQESA-N 453.591 2.421 30 10 JEEE C=C(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 1722519724 QCTDZGLBVUHANJ-IBGZPJMESA-N 478.575 2.306 30 10 JEEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1722607154 NUVVCELGBGJTQJ-NRFANRHFSA-N 464.613 2.330 30 10 JEEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1722686140 RKABLNUMTVAIDJ-RBUKOAKNSA-N 489.621 2.355 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC([C@H](O)c2ccc(F)cc2)CC1 1722697115 FXNVEWHGDCILAJ-OAQYLSRUSA-N 453.522 2.070 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(N(C)C)CCCCC2)C1 1722718748 MNPAUCDHSTWBFU-OALUTQOASA-N 451.637 2.226 30 10 JEEE CC(=O)N1CC[C@@H](CN(C)c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC=CCO2)C1 1722760041 MXJDSKJULLDTBO-UNMCSNQZSA-N 450.543 2.378 30 10 JEEE CC(C)[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1)N1CCCC1 1723122696 AIXWSTJACNGGBK-UNMCSNQZSA-N 486.642 2.472 30 10 JEEE CCOCc1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1C[C@@H](C)N1CCN(CC)CC1 1729081653 GSTFEUCUNYYHHP-NFBKMPQASA-N 467.618 2.290 30 10 JEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC(=O)NC2CCCC2)CC1 1740592377 WPXJIRNEDULLGN-LJQANCHMSA-N 461.632 2.259 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1CC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1740620206 ORCDUVWZLCHFMB-SFHVURJKSA-N 474.583 2.016 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCc1ccccc1OCC)[C@@H]1CCS(=O)(=O)C1 1740626201 KFOSCDHJXFRIBU-WOJBJXKFSA-N 458.584 2.050 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CC1CCC(OC)CC1)[C@@H]1CCS(=O)(=O)C1 1740627855 SWAMSAJKDHCRNI-CQJJOKNBSA-N 450.605 2.352 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H](OC)C(C)C 1740647541 QGVUQWIUWBDTQV-NRFANRHFSA-N 457.600 2.329 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccnc2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1740758590 ZMNWVBNCYINYAH-LSWJPFSZSA-N 467.618 2.358 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1740767175 MZJXFSCVJDXLGE-YLJYHZDGSA-N 496.659 2.072 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@]2(C)[C@H](C1)C2(Cl)Cl 1740811185 NHKRTTQKJSFLIR-XEZPLFJOSA-N 484.837 2.384 30 10 JEEE C=CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC(CC(=O)N(C)C)CC1 1740943847 BCBBDEZTETZDIE-UHFFFAOYSA-N 459.620 2.427 30 10 JEEE CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCSC(F)(F)F 1747187279 GVKLGGLPIWHQOP-UHFFFAOYSA-N 458.514 2.308 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1748808252 IYTZIPDAWCLLBT-NVXWUHKLSA-N 467.542 2.123 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1CCCOC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1748809360 LQIINNKAWAOHCZ-HXUWFJFHSA-N 472.611 2.466 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(Br)c2)n1Cc1nnc2n1CCC2 1748835837 KCKKUWWMAQDPST-UHFFFAOYSA-N 466.343 2.375 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1Cn1cccn1 1749054272 QSTRQQWPOBOCDV-FDDCHVKYSA-N 467.599 2.174 30 10 JEEE C=C(Br)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1749085114 YDBCNYRSDAYAIU-SFHVURJKSA-N 455.357 2.136 30 10 JEEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1749213203 HDEAFMZFYLTLNA-CQSZACIVSA-N 458.382 2.252 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(O)CCC[C@@H]1C 1749554176 PZFDJIYFVHXSLC-LQBOVUBWSA-N 495.671 2.416 30 10 JEEE COCCN(CCC#N)c1nnc(-c2ccc(F)cc2Br)n1C[C@@]1(O)CCN(C)C1 1749827640 GPNVGMGDNZUZMJ-HXUWFJFHSA-N 481.370 2.280 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CN(CC(C)C)CCO1 1760111421 MNHGULHWUIKBRF-MOPGFXCFSA-N 463.586 2.007 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CC(=O)NC2CCCCC2)c1 1760127135 RNIGFINMYWBMLE-UHFFFAOYSA-N 491.596 2.019 30 10 JEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)O[C@H](c2ccsc2)C1 1760137935 OHGYWHYDWBYMOD-HOJAQTOUSA-N 493.655 2.442 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCO[C@H]1C(=C)C 1760247728 MSGRAYOTHSGREV-AVRDEDQJSA-N 462.554 2.259 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC2(S(C)(=O)=O)CCCC2)CC1 1760254576 BNWXVAYIMDCSEP-UHFFFAOYSA-N 487.626 2.075 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCCOC2CCCC2)CC1 1760261604 UHWQBMKHDVUDLC-UHFFFAOYSA-N 456.616 2.374 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCC2CCC(OC)CC2)CC1 1760268606 MKMNXGDKEWZBRX-UHFFFAOYSA-N 451.575 2.296 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCCN(CC(F)(F)F)CC1 1760325415 QRWVGOGAAUBOFJ-XLIONFOSSA-N 470.540 2.456 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nnc(C(C)(C)C)s1 1760504915 FYXTWWGZPKUONU-AWEZNQCLSA-N 454.622 2.016 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCN(c2nccnc2C)CC1 1760520468 OKZWEOBNRSWNEN-UHFFFAOYSA-N 452.950 2.326 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1 1760524088 OWZMADMLHWEMCC-QGZVFWFLSA-N 462.595 2.358 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1760552998 IWYFBXWXIGJHMD-GOSISDBHSA-N 475.615 2.248 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCO[C@@H](c2cccc(OC)c2)C1 1760556534 HBEQLQWLVJSLFE-JOCHJYFZSA-N 483.594 2.451 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1760557813 WYNBYNWBRLLFBS-BGYRXZFFSA-N 476.599 2.317 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)nc1C 1858634699 MWQBWLPFMDWXSE-UHFFFAOYSA-N 499.014 2.393 30 10 JEEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCNC(C)=O)[C@H]2c2ccc(OC)c(OC)c2)c1 1862706876 HVOFBGSOYYDLJJ-NRFANRHFSA-N 454.479 2.427 30 10 JEEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc2c(c1)OCCO2 1862756196 JSPIYZUFJQTNLH-HXUWFJFHSA-N 467.434 2.080 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)COc2cn(CCC)c(CN3CCOCC3)cc2=O)nc1C 1870323165 JYYSUCCGEPBILX-UHFFFAOYSA-N 490.582 2.216 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)COc2cn(CCOC)c(CN(CC)CC)cc2=O)nc1C 1870323410 PMXXJSLSWHKBRT-UHFFFAOYSA-N 492.598 2.462 30 10 JEEE C=CCn1c(C(=O)N2CCN(C)CC2)cc2c(N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)ncnc21 1873561216 UFFHVGLFQYGSRR-UHFFFAOYSA-N 490.568 2.240 30 10 JEEE COc1cc(Br)cc(/C=N/n2c(SCCO)nnc2[C@H]2CC(=O)N(C(C)C)C2)c1O 1874341133 BXQQBOSFPRXGIE-UWPAOYMWSA-N 498.403 2.446 30 10 JEEE O=C1CCC(C(=O)Oc2ccc(/C=C/C(=O)c3ccc4c(c3)OCCO4)cc2[N+](=O)[O-])=NN1 1875146299 NJSNTUJMPQPPSB-ORCRQEGFSA-N 451.391 2.434 30 10 JEEE CS(=O)(=O)c1ccc2nc(N3CC(C(=O)NCC#CCN4CCCCCC4)C3)sc2c1 1889421408 GYIRPEHNXUHIOE-UHFFFAOYSA-N 460.625 2.132 30 10 JEEE CS[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2086010553 GZXXDSBTJSYJOO-JSGCOSHPSA-N 452.386 2.359 30 10 JEEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cc(N)c(Br)cc2F)[C@H](C#N)C1 2162920430 DUZVTTQRPUWVRT-SNVBAGLBSA-N 463.329 2.304 30 10 JEEE CC1(C)OB(c2csnc2C(=O)NC[C@@H]2CN(C(=O)OCc3ccccc3)CCO2)OC1(C)C 2255811393 RHLVMYRJFJHTIE-QGZVFWFLSA-N 487.387 2.210 30 10 JEEE C[C@H]1COC[C@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)s2)N1C(=O)OC(C)(C)C 2256628103 DWJKEMNIBHJCON-QWHCGFSZSA-N 453.370 2.405 30 10 JEEE CO[C@@H]1C[C@H](CNC(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)N(C(=O)OC(C)(C)C)C1 2267288052 YFROSAMHOBMFIN-HUUCEWRRSA-N 450.341 2.333 30 10 JEEE Cc1c(C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267528197 BNLKPKGZEIHQQI-HNNXBMFYSA-N 450.389 2.307 30 10 JEEE Cn1ncc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)[C@H]3CCC[C@H]23)c1B1OC(C)(C)C(C)(C)O1 2281816676 ZZPPULWFYMQPPW-OIISXLGYSA-N 460.384 2.237 30 10 JEEE C=CCC1(NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)c(C)nn2C)CN(C(=O)OC(C)(C)C)C1 2281987509 ZJSLNASGHPMPTA-UHFFFAOYSA-N 460.384 2.323 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@H]3CCN(C(=O)OC(C)(C)C)[C@@H]3C2)n1 2282043840 PTWKXCGRYGXTRH-DOTOQJQBSA-N 460.384 2.191 30 10 JEEE CO[C@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2F)C[C@@H]1NC(=O)OC(C)(C)C 2282403843 YPNWKSZYUBRTSD-ROUUACIJSA-N 464.343 2.489 30 10 JEEE CO[C@H]1CN(C(=O)c2ccc(F)c(B3OC(C)(C)C(C)(C)O3)c2)C[C@H]1NC(=O)OC(C)(C)C 2282475409 OQNYXMHZVLUJPZ-MSOLQXFVSA-N 464.343 2.489 30 10 JEEE C[C@@H](CNC(=O)c1coc(B2OC(C)(C)C(C)(C)O2)c1)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 2282534850 ITYGNJRKBNSEFX-NPMXOYFQSA-N 464.368 2.317 30 10 JEEE Cn1cc(C(=O)N2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@]3(C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2282578957 YMMSGKNNPQYLRC-IQMFZBJNSA-N 460.384 2.048 30 10 JEEE CC(C)(C)OC(=O)N1CCC2(CC1)CN(C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)C2 2282650493 NLHHZJMJZPSBOH-UHFFFAOYSA-N 458.368 2.249 30 10 JEEE C[C@@H](NC(=O)OC(C)(C)C)c1nc(NC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)n[nH]1 2282667504 RVOPPYHIZJGAPI-GFCCVEGCSA-N 458.328 2.337 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)CO1 2282710025 INBAIHZAFUUUMO-RDJZCZTQSA-N 461.368 2.040 30 10 JEEE CN(C)C(=O)CN(Cc1ccccc1)S(=O)(=O)Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2282845411 SEZMSCJNBDAHCQ-UHFFFAOYSA-N 472.416 2.406 30 10 JEEE CC(C)(C)OC(=O)N1CC2(CC2)C[C@H]1CNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2283059556 DSJAPPHEKJXEGW-HNNXBMFYSA-N 458.368 2.295 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H]2CN(C(=O)c3nccnc3B3OC(C)(C)C(C)(C)O3)C[C@H]2C1 2283069742 SRHBIGRYAXJXGB-JKSUJKDBSA-N 458.368 2.105 30 10 JEEE CO[C@H]1C[C@@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)c(C)n2)N(C(=O)OC(C)(C)C)C1 2283948740 QKBWLMDVGKNGTH-HOCLYGCPSA-N 462.356 2.047 30 10 JEEE CC(C)(C)OC(=O)N(CC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F)[C@@H]1CCOC1 2288186810 OGHCGVZTEIZXQQ-OAHLLOKOSA-N 465.331 2.484 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2C[C@@]2(CNC(=O)OC(C)(C)C)C1 2288259570 DYSYFILMJHLBON-NPMXOYFQSA-N 460.384 2.015 30 10 JEEE C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CN(C(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)CCO1 2337395714 DCRRXEPISJHTHE-UKRRQHHQSA-N 467.397 2.197 30 10 JEEE CN(C(=O)OC(C)(C)C)[C@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)CC1(C)C 2361517474 YSPSTHLWSMAJJF-INIZCTEOSA-N 462.400 2.437 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)n1C 2362495578 YMNLQOMTMJUPMI-INIZCTEOSA-N 462.400 2.405 30 10 JEEE CN1CCN(S(=O)(=O)c2cccc(C(=O)N3CCS/C3=N\CCc3ccccc3)c2)CC1 16050743 RDAOXOHARHXUIE-VHXPQNKSSA-N 472.636 2.410 30 10 JEEE CCOC(=O)/C=c1\s/c(=C\c2ccc(C#N)cc2)c(=O)n1CC(=O)Nc1cccc(C)c1C 18085006 DJTRBWDKNXWZJF-JNCKMVCSSA-N 461.543 2.209 30 10 JEEE CCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(C)c2N2CCN(C(=O)OCC)CC2)SC1=S 33460095 PTAHMHZEUHSBLE-ATVHPVEESA-N 489.623 2.455 30 10 JEEE COC(=O)c1ccc([C@@H]2/C(=C(/O)c3c(C)nn(C)c3C)C(=O)C(=O)N2CCCN(C)C)cc1 102744189 VIJJKWGNACLIEU-GOBJLOIFSA-N 454.527 2.197 30 10 JEEE C=CCN(Cc1cccc([N+](=O)[O-])c1)S(=O)(=O)c1cccc(S(=O)(=O)NC2CC2)c1 508031011 RCNWOWNVSFCUPT-UHFFFAOYSA-N 451.526 2.412 30 10 JEEE Cc1cccc(-n2c(=C(C#N)C(=O)NCC(C)C)sc(=Cc3cnn4ccccc34)c2=O)c1 729668830 RWQLEGUNMDPMCH-UHFFFAOYSA-N 457.559 2.130 30 10 JEEE Cc1csc([C@@](O)(CC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C(F)(F)F)n1 1139811135 FGQNWMBTHWTLPQ-KXBFYZLASA-N 452.458 2.381 30 10 JEEE C#CC[C@@H](NC(=O)Cc1ccc(I)c(Br)c1)C(=O)OC 1161364996 MOVXHAHRVXYYDQ-GFCCVEGCSA-N 450.070 2.277 30 10 JEEE C#CCN(CC(=O)Nc1ccccc1C(=O)Nc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1167958893 LYZWLOZOHVZYDF-GOSISDBHSA-N 455.536 2.008 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CC[S@@](=O)C(C)(C)C)c1 1286309611 SRMCCHIBKOQXGX-MGBGTMOVSA-N 472.615 2.020 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ncccc1N(C)C 1286421202 OEGPAAIIRTWSOG-UHFFFAOYSA-N 462.579 2.321 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCOc2cccc(C(F)(F)F)n2)CC1 1286469285 DAMPNYQXGQGLPV-UHFFFAOYSA-N 493.534 2.445 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](c2cccnc2)C(C)C)CC1 1286490714 PSKQLGCNXSFZSO-NHCUHLMSSA-N 463.586 2.030 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCOC2)n1Cc1ccccc1S(=O)(=O)N(C)C 1286526055 OVDFSIFDPHSUGV-WMZHIEFXSA-N 457.600 2.463 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1286549618 APFWMWLAJOMVLU-IVOMFYJKSA-N 489.642 2.384 30 10 JEEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CC(C)C)C(=O)C1 1286592351 AFQCJVONORGGIA-SFHVURJKSA-N 462.595 2.467 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(C(=O)NCC)c2)C1 1286799741 ZMDQHRSYEVNWTO-FQEVSTJZSA-N 452.559 2.093 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@@H](OC)C1 1286815610 XPIAPQUDSROKMJ-QGZVFWFLSA-N 450.561 2.178 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1286816816 LZTFBYQSLOSAKR-NRFANRHFSA-N 480.598 2.467 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 1286817583 UVROJPKKOLTPDI-GOSISDBHSA-N 474.631 2.320 30 10 JEEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(c2nccc(OCC)n2)CC1 1286831026 SEMQATFJQGSLGS-KRWDZBQOSA-N 472.619 2.054 30 10 JEEE Cc1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(NS(C)(=O)=O)CC2)cn1 1289668511 BICMCEMANYEHJV-UHFFFAOYSA-N 451.556 2.087 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1cccc(C(C)(F)F)c1)[C@H]1CCS(=O)(=O)C1 1300479250 KFKTZVKKTPFXFB-SFHVURJKSA-N 479.553 2.203 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1300485845 ZNCHJRCIGOZZDS-HKUYNNGSSA-N 491.589 2.099 30 10 JEEE C#CCN(c1nnc([C@H]2COc3ccccc3O2)n1CC(=C)Br)[C@@H]1CCS(=O)(=O)C1 1300496435 RICDXZPLJRXPEL-CRAIPNDOSA-N 493.383 2.326 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCN(CC)C1 1300574686 GMXJHBGKYJKMGF-IBGZPJMESA-N 453.616 2.043 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Cc1cccs1 1300631613 UFMLOENMCXRXQA-FUHWJXTLSA-N 451.618 2.011 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)Oc1ccc(C)cc1 1300806464 WAWIBOCYYAZGLM-ZCVJKFOLSA-N 487.626 2.379 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1300848017 ACOZPYUKKRTNHE-ZWKOTPCHSA-N 481.439 2.214 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1300888125 HZMCOPJJFRURMI-FUDKSRODSA-N 488.658 2.353 30 10 JEEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccc(C)c2)CC1 1300971821 GPBJGWPGQMCVFH-IBGZPJMESA-N 462.620 2.116 30 10 JEEE COC[C@H]1CCCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1301250775 HAWWJEUCLAXSHC-PMACEKPBSA-N 473.599 2.416 30 10 JEEE C=CCN(CC=C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCCCS1(=O)=O 1301379843 VSPNBQRVWSCQQD-IBGZPJMESA-N 454.560 2.067 30 10 JEEE COCC[C@](C)(O)Cn1c(CC2CCCC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1301455252 BETVBVQTKDMBSK-DEOSSOPVSA-N 470.622 2.039 30 10 JEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](c2ccc(F)cc2F)C1 1301510344 UTJJPLHQBOXRQN-FQEVSTJZSA-N 471.512 2.298 30 10 JEEE CC(=O)N1CCC[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(N(C)C(C)=O)CC2)C1 1301686105 DHZYWSUSILBEQK-JOCHJYFZSA-N 493.612 2.434 30 10 JEEE C#CCCCn1c(N2CCN(CC(=O)NC3CCCCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1358936150 FBOLCKCUDBGHGT-AREMUKBSSA-N 486.661 2.303 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H]1CCOC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1358955584 OZRFNQGNVVYWME-JAXLGGSGSA-N 499.637 2.447 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@H](C)N(C)C1CC1)[C@@H]1CCS(=O)(=O)C1 1358967081 CYHHLYOEQQANBO-PKOBYXMFSA-N 475.590 2.106 30 10 JEEE C#CCN(CC)c1nnc(-c2ccccc2Br)n1CCN1CCN(C(C)=O)CC1 1359005740 UAHOOEKARFDXCL-UHFFFAOYSA-N 459.392 2.331 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CC[C@@H]2CCO[C@H](C)C2)CC1 1359038182 MTUDSPGIQPVSJN-RTBURBONSA-N 456.616 2.230 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2CCCc2cnn(C)c2)CC1 1359046797 GIJUHJCMTKCZGL-UHFFFAOYSA-N 475.597 2.498 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCO2)n1CCN1CCCS1(=O)=O 1359257608 PMJOUHABWPIURF-HXUWFJFHSA-N 456.572 2.229 30 10 JEEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(OC(C)C)CC1 1359298603 GEHBMOKYGNKWIU-UHFFFAOYSA-N 451.531 2.290 30 10 JEEE COc1ccc(NC(=O)[C@H]2CSCN2C(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)cc1 1360002070 GLDBZKNFHNBONY-OXJNMPFZSA-N 450.520 2.460 30 10 JEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCN(c3nc(CC)ns3)CC2)cc1 1465257337 IJLJYFKIAPWUFC-UHFFFAOYSA-N 450.590 2.261 30 10 JEEE COc1cccc(O[C@@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)c1 1504363007 GRFMBBSOCLAPDN-HOTGVXAUSA-N 462.576 2.104 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Cl)n1C[C@@H]1CCCN(C(C)=O)C1)[C@@H]1CCS(=O)(=O)C1 1507628756 IDSFPNTWOJXGBM-RTBURBONSA-N 490.029 2.484 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@@H]1CCO[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1507634525 KVGNAOJEROTTMD-SFHLNBCPSA-N 472.611 2.319 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@@H]1CCCCN1CC)[C@@H]1CCS(=O)(=O)C1 1507639969 NQVGRLNTWHVIIE-LEWJYISDSA-N 489.617 2.497 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)CN1CCOCC1 1507691877 OXKGXTDBUQPZAQ-PMACEKPBSA-N 476.622 2.014 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CC2CCN(C(=O)OC)CC2)CC1 1507734587 PHTWZYCRPWCTJP-UHFFFAOYSA-N 468.558 2.291 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 1507740737 DYYJHPBDOSBXCH-LJQANCHMSA-N 488.633 2.428 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2CCC(=O)N2CCCCC2)CC1 1507742228 CXXRPTBFPHSILW-UHFFFAOYSA-N 480.588 2.376 30 10 JEEE C#CCSCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1507754929 QHDARYFBQUJKMA-MSOLQXFVSA-N 497.687 2.382 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](CC)C1 1507799799 SKSFYWGHSZPZHE-WTGUMLROSA-N 467.636 2.219 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccc2OC)nnc1N1CCN(C(=O)NC)CC1 1507804352 KMGBAPDBBXDTOM-KNQAVFIVSA-N 454.575 2.320 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1N(C)CCCC1(C)C 1507821320 YVAUSQOZZNHZDW-RTBURBONSA-N 468.668 2.134 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC(OCC(N)=O)CC1 1508078598 ZZPCJTWFBPCXMC-UHFFFAOYSA-N 454.575 2.016 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1508092868 RRXFAXNORLPTEI-UHFFFAOYSA-N 454.575 2.162 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC(CN2CCOCC2)CC1 1508092994 SLVKDOQQLWIZTP-UHFFFAOYSA-N 482.629 2.325 30 10 JEEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1508095459 PKLFZCGAONTQBA-GOSISDBHSA-N 470.574 2.305 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1Cc1ccc2nsnc2c1 1510185931 FQVGUJVZQMTCSM-ZDUSSCGKSA-N 460.589 2.071 30 10 JEEE CCN(c1nnc(-c2ccc(C#N)cc2)n1Cc1ncnn1C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1515392803 GKFQNGNBYGQAKN-SFHVURJKSA-N 468.587 2.225 30 10 JEEE CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](c2ccsc2)N(C)C)CC1 1515990395 HUUNKQUIVLVMBB-QFIPXVFZSA-N 492.653 2.439 30 10 JEEE CN(C)CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC#N)CC1 1517018704 GOOUYQGSHBUQRL-OAQYLSRUSA-N 486.642 2.299 30 10 JEEE CS(=O)(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2ccccn2)C1 1519507945 FHKKHZITPRAQLE-NRFANRHFSA-N 466.567 2.380 30 10 JEEE C#CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC(CNC(C)=O)CC1 1539117119 TXQWYFSDDPUDGO-UHFFFAOYSA-N 461.570 2.441 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCCN1CCCO[C@H](C)C1 1539232900 UADXRMJDCOPVJZ-HXUWFJFHSA-N 483.016 2.435 30 10 JEEE C#CCN(CC#CC)c1nnc(Cc2ccccn2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1539327713 DBIZVGBPZQIBMU-NRFANRHFSA-N 455.570 2.228 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCN2CCOCC2(C)C)CC1 1539430915 ONRHDOMFOFWGRJ-FQEVSTJZSA-N 470.593 2.423 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Br)n2CC(=O)NCCC)CC1 1539473764 AEPARPJLOVSRKO-UHFFFAOYSA-N 487.402 2.200 30 10 JEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cccc(F)c2F)CC1 1539489107 GTLWRMPILKQABC-UHFFFAOYSA-N 460.554 2.485 30 10 JEEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2cccc(F)c2[C@@H]1C 1539517973 USQMPGFIBRQKOK-LPHOPBHVSA-N 493.630 2.240 30 10 JEEE C=C(Br)Cn1c(COCC)nnc1N1C[C@H](OC)C[C@H]1c1nnc2n1CCC2 1539610189 VUMDTVQCYJFPQV-KGLIPLIRSA-N 452.357 2.227 30 10 JEEE C=CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1540855244 JFBIXKGIYYNPHW-UHFFFAOYSA-N 455.569 2.279 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CC[C@H](S(C)(=O)=O)C1 1540899263 ISCDSAUJJPBCAH-WBVHZDCISA-N 498.696 2.356 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 1540902676 OFFVDPZRZSTRCZ-HNAYVOBHSA-N 480.553 2.303 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1540906828 CWHXXPWVBWRJPP-HYBUGGRVSA-N 490.626 2.459 30 10 JEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1 1587807842 JLGUUWPXSDYPPN-MRXNPFEDSA-N 468.624 2.185 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 1588034998 OCWOPNPKEKUWCL-RDPSFJRHSA-N 488.610 2.002 30 10 JEEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1588035826 YAWDUFOJCMVKKB-IHPCNDPISA-N 490.651 2.412 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC[C@H](OCC)C1CCCC1)[C@H]1CCS(=O)(=O)C1 1588049315 FAAHWXIBKLULNL-SFTDATJTSA-N 474.631 2.291 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1CCC(=O)NC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1588060078 ZALSAKXAWCZRFT-FQEVSTJZSA-N 471.627 2.109 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1Cc1ccc(N2CCSCC2)cc1 1588173974 OEMKPUMWHZWATQ-UHFFFAOYSA-N 450.612 2.481 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(C)(C)C(=O)NCC 1588186048 QIQMJEIWNWISHW-UHFFFAOYSA-N 483.642 2.172 30 10 JEEE C#CCN(CCOC)c1nnc(CC(C)(C)C)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1588646479 KZIZORLIVNCPBQ-RBUKOAKNSA-N 451.637 2.157 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2snnc2C)CC1 1588899012 KMEJCLVTKDDICW-UHFFFAOYSA-N 489.403 2.210 30 10 JEEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C[C@H]2CCOC2)CC1 1593887344 YOBLFPWDDIZHFW-MOPGFXCFSA-N 497.040 2.498 30 10 JEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCOc2ccc3c(c2)OCO3)CC1 1594194021 UXSPVFGMZRUNBF-HNNXBMFYSA-N 463.560 2.098 30 10 JEEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 1595434534 DZEZVFKKXLXFMN-QGZVFWFLSA-N 478.644 2.286 30 10 JEEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)COc2ccc(F)cc2)CC1 1595434776 QSBCDWLSHWBRSK-UHFFFAOYSA-N 484.557 2.322 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCSC2(CCOCC2)C1 1595497040 OGJKCCTUYVTMOO-UHFFFAOYSA-N 473.599 2.367 30 10 JEEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1595529980 OPOGQRWGKPJMGI-UHFFFAOYSA-N 464.574 2.359 30 10 JEEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@H](COCC)C1 1595543999 DPFBNSVNGLPISS-IBGZPJMESA-N 468.606 2.007 30 10 JEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 1595569903 QMVSHMVWKYFNEU-UHFFFAOYSA-N 486.621 2.278 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1595765494 BHTAWCFFNCERRU-WBVHZDCISA-N 497.463 2.320 30 10 JEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(c2nccs2)CC1 1595885035 ZBPFOOMWKIHSNP-INIZCTEOSA-N 468.674 2.273 30 10 JEEE CCC(CC)NC(=O)c1nnc(N(C)C[C@@H](C)C#N)n1C[C@H](N1CCOCC1)C(F)(F)F 1613527952 DTIQZRQOUQEAKE-HOCLYGCPSA-N 459.517 2.055 30 10 JEEE CO[C@@H]1O[C@H](COS(=O)(=O)c2ccc(C)cc2)[C@H](OC(C)=O)[C@@H]2OC(c3ccccc3)=N[C@H]12 1615946137 BOYDSGVAFVWMGZ-DLBZZEGUSA-N 475.519 2.218 30 10 JEEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCC[C@H](C)C2)C1 1615972418 CQWDCWQDTQSDDW-GHTZIAJQSA-N 471.631 2.067 30 10 JEEE C#Cc1cccc(NC(=O)CNS(=O)(=O)c2cc(Br)c(OC)cc2OC)c1 1621671593 AKUOACJZKHPINZ-UHFFFAOYSA-N 453.314 2.365 30 10 JEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2C[C@@H](C(=O)OC)[C@H](c3ccc(Cl)cc3)C2)c1 1639456160 AEHZNBVAIHQXFW-VQTJNVASSA-N 460.939 2.280 30 10 JEEE C=CCNC(=O)c1ccc(NC(=O)N2CCN(c3ccc(NS(C)(=O)=O)cc3)CC2)cc1 1673643681 NKFFQOJLLOTDLV-UHFFFAOYSA-N 457.556 2.328 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H](C)CN1CCN(CC)CC1 1689841414 GBVXWZLEJUOBCI-WOJBJXKFSA-N 452.603 2.448 30 10 JEEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1C[C@H](c1ccc(C)cc1)N1CCOCC1 1689860764 HCTFJUWTAKIBJE-RBBKRZOGSA-N 450.587 2.240 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H]1SCCc2ccccc21)[C@H]1CCS(=O)(=O)C1 1689977758 CCZLWDYSNYZURL-ICSRJNTNSA-N 487.651 2.074 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@](C)(O)c1cccs1)[C@@H]1CCS(=O)(=O)C1 1689988495 QAQVQBDGHPUOHA-VGOFRKELSA-N 471.608 2.244 30 10 JEEE C#CCN(CCOC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@]1(O)CCc2ccccc21 1690094260 XPZUKBFIPGBUOF-LOSJGSFVSA-N 454.571 2.239 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2c(C)nn(Cc3ccccc3)c2C)CC1 1690109020 CUXMKZSBBQFQBN-UHFFFAOYSA-N 474.613 2.081 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCc2ccccc2OC)CC1 1690137608 DPHQKANACQZQHR-SANMLTNESA-N 481.597 2.147 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CCCN2CCC(C)CC2)CC1 1690150380 FRSIJZBPPNHVDP-UHFFFAOYSA-N 463.630 2.352 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1690237172 WEYVYODYOAZQKO-WIYYLYMNSA-N 482.585 2.066 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1690249309 WXIBYXMTVDMQAH-CVDCTZTESA-N 488.658 2.495 30 10 JEEE C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1690326928 HWGROCISVBKSPS-GFCCVEGCSA-N 457.844 2.183 30 10 JEEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1690361516 XCORACIEBXBBMA-XSLAGTTESA-N 455.987 2.122 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](OC)C(C)(C)C1 1690432563 GNOYXRUYKYTJQQ-IAGOWNOFSA-N 455.625 2.075 30 10 JEEE C=CCC(C)(C)Cn1c(N2CCC([C@]3(C)NC(=O)NC3=O)CC2)nnc1[C@]1(OCC)CCOC1 1690439748 OHTKWMSKNIASJM-ZEQRLZLVSA-N 474.606 2.347 30 10 JEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C[C@H]2CCOC2)C1 1690508891 RZYGFVVGLSBWBU-XUVXKRRUSA-N 452.621 2.416 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCNC(=O)[C@@H]1CC 1690676341 WYYWWWAHHYPMNE-IBGZPJMESA-N 454.575 2.172 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@@H]2CCC[C@H]21 1690715723 SJFOOASGLPZTTL-FUHWJXTLSA-N 463.991 2.451 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CCc2c(C)noc2C)c1 1705504755 CTIBBOXHOITMCS-HXUWFJFHSA-N 461.526 2.133 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2CCc2ccn(C)n2)c1 1705506676 FAWYSCAWRBPNPT-UHFFFAOYSA-N 454.538 2.296 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccc(C#N)o1)[C@@H]1CCS(=O)(=O)C1 1705559982 CSOSOIHXSVQCCT-CQSZACIVSA-N 489.355 2.175 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cn(C)nc1-c1ccccc1 1705598730 PRLSPGVHSCKQDV-FQEVSTJZSA-N 462.579 2.092 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1705629008 VEHPBVGLPXLGQC-PKTZIBPZSA-N 453.587 2.159 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)N2CCC[C@@H](C)C2)CC1 1705769119 JCTLWPNTFABDIG-WOJBJXKFSA-N 480.679 2.278 30 10 JEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 1705811625 GWVLWFXQUGZMPP-CVEARBPZSA-N 456.613 2.300 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1705908675 SYLUNHBTJQRPLA-MFEFFIJZSA-N 459.522 2.071 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2csc([C@H](C)OC)n2)C1 1705925289 NIQAARXOZFERNL-YQQAZPJKSA-N 467.617 2.174 30 10 JEEE CC(=O)N1CCCN([C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCC(C)(C)O)C[C@H]2C)CC1 1705982230 CMKDCUXADCEGJW-XXBNENTESA-N 479.629 2.357 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1CCN(CCN(C)C)CC1 1706072366 CDIIEYXJJRDHIH-IBGZPJMESA-N 491.644 2.061 30 10 JEEE CCN(CC)C(=O)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C 1709996960 IDTSCPBFOJAPEV-SFHVURJKSA-N 467.574 2.044 30 10 JEEE CN(C)C(=O)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](C(F)(F)F)C1 1710979124 FKCMDKNCVBIXMV-KRWDZBQOSA-N 466.464 2.365 30 10 JEEE C#CCCCn1c(-c2cccn2C)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1722331361 FBMFSPOVKAUXGK-UHFFFAOYSA-N 452.584 2.349 30 10 JEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CC)Cc1ccc(C(=O)N(C)C)cc1 1722333085 ROOQVXLUCYDVMG-FQEVSTJZSA-N 457.600 2.322 30 10 JEEE C#CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CC[C@](C)(C(=O)NC)C1 1722335041 AMCJBWOVDWDGCZ-VWLOTQADSA-N 461.570 2.441 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)ccc2Br)n1CCCOC)[C@@H]1CCS(=O)(=O)C1 1722358518 CDADATAOPXYARB-OAHLLOKOSA-N 497.415 2.379 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H](C(CC)CC)N(C)C)[C@H]1CCS(=O)(=O)C1 1722359762 ATRXKQQDUUMYOC-SFTDATJTSA-N 458.632 2.333 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H](C)c1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1722365518 MKZPDIMHVOTBOX-UZLBHIALSA-N 468.583 2.299 30 10 JEEE C#CCN(c1nnc(C2CCC2)n1C[C@@H](CC)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1722369319 XOGFPASSKNYDKK-QZTJIDSGSA-N 465.620 2.476 30 10 JEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1C[C@@H]1CCOC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1722372124 PPMFZJSJLWABGG-BAGYTPMASA-N 486.638 2.371 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccccc2Br)n1Cc1nnnn1CC1CC1 1722377898 ITFGMTVDIORTTD-UHFFFAOYSA-N 451.332 2.225 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2CCCN2CCCC2)CC1 1722450445 IZVUVXZDMNOXEA-UHFFFAOYSA-N 468.577 2.448 30 10 JEEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(C(=O)NCCOC)CC1 1722453371 ZBYCWBGNFMPBTB-UHFFFAOYSA-N 495.447 2.381 30 10 JEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)NC2CCCCC2)CC1 1722458431 JOCDCZPMTIXHTQ-LJQANCHMSA-N 473.647 2.196 30 10 JEEE C=C(C)COCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1722536279 MGJQBCWTEHXDAK-QHCPKHFHSA-N 452.515 2.352 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCOc2ccc(F)c(F)c2)C1 1722719548 VVDDXLMSQPUKDG-NVXWUHKLSA-N 468.526 2.319 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC(NC(=O)c2ccccc2C)CC1 1722727481 IWVHAFPKDWVAOE-IBGZPJMESA-N 487.626 2.090 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1C[C@]1(O)CCSC1)[C@H]1CCS(=O)(=O)C1 1740619394 IJLYYASKCFZCSD-FXAWDEMLSA-N 467.016 2.093 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1c(Cl)cccc1OC)[C@@H]1CCS(=O)(=O)C1 1740628054 MWEXDTXNIOTAMU-DNVCBOLYSA-N 464.975 2.467 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCS(=O)(=O)C1 1740675943 LNKFPNOJMFIJDH-LJQANCHMSA-N 473.574 2.118 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1740756210 OOCZVTLPDXBKKJ-GGPKGHCWSA-N 460.966 2.316 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](c2ccccc2)N(C)C)CC1 1740825936 VJDGBWUGHFMXIB-LEWJYISDSA-N 474.631 2.070 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1740963979 DBSXXRUVOVXNFZ-ZBFHGGJFSA-N 493.395 2.429 30 10 JEEE C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC(CC#N)CC2)n1CCNS(C)(=O)=O 1741959560 BIKPRSQIEGUYAY-HNNXBMFYSA-N 450.540 2.236 30 10 JEEE CC1(C)CN(CCn2c(-c3cccc(OC(F)F)c3)nnc2N2CCO[C@@H](C#N)C2)CCO1 1742006726 DFNFDZIKOXWSSN-SFHVURJKSA-N 462.501 2.386 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@]1(C)COCCO1 1748663809 AHBUCAXVPGSAJG-XDHUDOTRSA-N 450.543 2.328 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1CCc1cccnc1)[C@@H]1CCS(=O)(=O)C1 1748807650 AKNKGUBNHOLDPC-HXUWFJFHSA-N 481.578 2.227 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1Cc1nnc(CC)s1)[C@H]1CCS(=O)(=O)C1 1748818788 GKWPLJVYNDTRES-INIZCTEOSA-N 474.587 2.097 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@H](C)N(C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1748820896 JBZRZDZRUOVGBQ-GGAORHGYSA-N 495.653 2.291 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)N1CCOCC1 1748858859 JPQQAHNLKWWHCZ-UXHICEINSA-N 456.591 2.144 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CC(=O)N(CCOC)C1 1748901827 AQYXGDKOXWWQAN-KCZVDYSFSA-N 455.603 2.155 30 10 JEEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC(F)(F)F)CC1 1749037556 FEWCWVUTQWPYLR-INIZCTEOSA-N 495.593 2.146 30 10 JEEE C=C(Br)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1749083284 CTELGPOMESCJNG-HNNXBMFYSA-N 495.765 2.411 30 10 JEEE C=C(C)COCCn1c(Cc2cn3ccccc3n2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1749232021 BCJOGNYSPJNUKB-LJQANCHMSA-N 458.588 2.123 30 10 JEEE C=C(Cl)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1749257918 GBIWAJZCZATSEK-OAHLLOKOSA-N 455.968 2.233 30 10 JEEE C=CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCc2nn(C)c(=O)cc2C1 1749390231 BEENPRSALYUCOU-UHFFFAOYSA-N 468.583 2.361 30 10 JEEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCC(S(=O)(=O)CC)CC1 1749666201 JFIRNDPTMKYJLY-UHFFFAOYSA-N 456.572 2.132 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC(C(=O)NC)CC1 1749725826 VFUDPQZFKBINRP-UHFFFAOYSA-N 483.541 2.110 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CCC(F)(F)F 1749730786 QNLFUVVPAJMPGC-UHFFFAOYSA-N 484.504 2.181 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN([C@H](C)c2nccs2)CC1 1749732491 XJPSCUADPGACFU-QZTJIDSGSA-N 480.660 2.113 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2C[C@H](C)O[C@H](C(F)(F)F)C2)nnc1[C@@]1(OC(C)C)CCOC1 1749739968 ONLIYVPGWAOOCB-TXPKVOOTSA-N 496.552 2.076 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccsc3)n2CCCS(C)(=O)=O)c1 1760127830 NMUIFHYDNOJNOK-UHFFFAOYSA-N 471.608 2.421 30 10 JEEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2c(CC)nn(C)c2Cl)CC1 1760137256 QACBNRHFLIHHFB-LJQANCHMSA-N 473.025 2.304 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CC1(C)CCCC1)[C@H]1CCS(=O)(=O)C1 1760182370 JDFHBXDAZUUOAW-KRWDZBQOSA-N 456.572 2.132 30 10 JEEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@H]1CCCN1CC 1760206723 JQKFOZWDRGUHCG-RUZDIDTESA-N 459.642 2.200 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1Cc1c(CC)nn(C)c1OC 1760250230 XMSKYQVHLYCKAD-NRFANRHFSA-N 466.542 2.229 30 10 JEEE C#CCN1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2C[C@@H](OC)[C@H](C)CC)CC1 1760260598 YVCILUPUQOIRDB-UYAOXDASSA-N 473.647 2.055 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1760517481 NQPITYVSJBUJDJ-SRGWNRLKSA-N 471.558 2.037 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(C)[C@H]1CCCN(Cc2ccccc2)C1 1760552110 BXFSPTRUJRKGNV-QFIPXVFZSA-N 483.642 2.380 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CC[C@H](C)N(Cc2ccccc2)CC1 1760553926 MCWCBUNLPJMVJP-FQEVSTJZSA-N 481.626 2.437 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1760556781 PWHCVHFULVSCOZ-CVDCTZTESA-N 460.600 2.162 30 10 JEEE CN1CC[C@@](O)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC([C@@](C)(O)C(F)(F)F)CC2)C1 1767509810 HMXPKEXSTNHRBH-YADHBBJMSA-N 478.519 2.413 30 10 JEEE CNC(=O)CC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1769267498 BLCMANIAHTYQBK-NRFANRHFSA-N 463.586 2.428 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)[C@@H](CCC(N)=O)NC(=O)OCc2ccccc2)nc1C 1866117045 SJIMMNSLOOVHCJ-OAHLLOKOSA-N 460.512 2.293 30 10 JEEE CCOC(=O)CN(C)C(=O)[C@@H](CCSC)NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1 1868781876 BRMXYCCOTSXGMV-QZTJIDSGSA-N 480.656 2.284 30 10 JEEE C=CCn1c(C(=O)N2CCN(C)CC2)cc2c(N3CCN(c4ccccc4F)CC3)ncnc21 1873562578 JYKDHKMQMAYKSR-UHFFFAOYSA-N 463.561 2.471 30 10 JEEE CC(C)N1C(=O)CS[C@@H](C(=O)N2CCN(c3ccnc(N(C)C)n3)CC2)[C@H]1c1ccc(C#N)cc1 1889638142 MNPZMWHMFWGOBE-DHIUTWEWSA-N 493.637 2.157 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CC(C(=O)NCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)=C[C@H]1O 2188035102 YWFDLTKTLWDEHN-RBUKOAKNSA-N 458.364 2.186 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](O)CN1C(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2255672017 ZTNDWMKWHXTGFP-ZIAGYGMSSA-N 452.382 2.147 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@](CO)(NC(=O)c2csc(B3OC(C)(C)C(C)(C)O3)c2)C1 2255702178 BYTVVZCDAVTQLW-NRFANRHFSA-N 452.382 2.149 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1CCN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2255754288 XJVWRLFPZPDFMS-MRXNPFEDSA-N 452.382 2.274 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@H](CCN=c2[nH]ccc(B3OC(C)(C)C(C)(C)O3)c2F)C1 2266056829 INIUKKHWCCCIFY-OAHLLOKOSA-N 451.348 2.380 30 10 JEEE CC(C)(C)OC(=O)NCC1(NC(=O)c2ccc(F)cc2B2OC(C)(C)C(C)(C)O2)COC1 2266985944 CCMGXSLBJMIFJB-UHFFFAOYSA-N 450.316 2.148 30 10 JEEE CCC[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C 2266990031 MJKBJNFVFIKJHI-OAHLLOKOSA-N 450.389 2.451 30 10 JEEE Cc1cc(C(=O)N2CCOC[C@H](NC(=O)OC(C)(C)C)C2)oc1B1OC(C)(C)C(C)(C)O1 2267129256 YWXMBUWFEZESNX-OAHLLOKOSA-N 450.341 2.253 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1CN(Cc2ccccc2)CCO1 2267195789 MGLUNBAKBTYYSM-SFHVURJKSA-N 457.405 2.382 30 10 JEEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCN(Cc4ccccc4)[C@H](C#N)C3)s2)OC1(C)C 2267375133 CMDHVUDHGKLTKJ-GOSISDBHSA-N 473.429 2.446 30 10 JEEE CN(C(=O)OC(C)(C)C)C1CN(S(=O)(=O)c2ccc(F)cc2B2OC(C)(C)C(C)(C)O2)C1 2267468806 NERHHMRRDXOJGT-UHFFFAOYSA-N 470.372 2.365 30 10 JEEE Cc1nc(S(=O)(=O)N[C@H](C)CCOCc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)n1C 2267473819 KZWGMQJOKXUDLN-MRXNPFEDSA-N 463.409 2.301 30 10 JEEE CCN(C1CN(C(=O)OC(C)(C)C)C1)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2267474590 XPPBXRALCXIRHP-UHFFFAOYSA-N 487.453 2.213 30 10 JEEE C=C(CS(=O)(=O)N[C@H](CCCCNC(=O)OC(C)(C)C)C(=O)O)B1OC(C)(C)C(C)(C)O1 2273888548 UPYYXCZDQFYKJK-OAHLLOKOSA-N 476.401 2.242 30 10 JEEE CO[C@H]1[C@H](CNc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)N(C(=O)OC(C)(C)C)C[C@H]1OC 2279465334 KVQQKIDBQOWADL-SCTDSRPQSA-N 463.384 2.442 30 10 JEEE CC[C@@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2CN1C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2281991328 YRQMTGIVVZYPBC-BFYDXBDKSA-N 460.384 2.426 30 10 JEEE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1N(C)C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2282015877 PUWUKKLTLJMWTQ-NVXWUHKLSA-N 460.384 2.493 30 10 JEEE COC[C@@]1(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cn2C)CCN(C(=O)OC(C)(C)C)C1 2282181991 NPCSKQKNIXHATC-HSZRJFAPSA-N 463.384 2.080 30 10 JEEE CN(Cc1ccccc1)[C@@H]1CCCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)nn2C)C1 2282417315 HGHMUQOULMAJTO-LJQANCHMSA-N 474.436 2.004 30 10 JEEE CC(C)(C)OC(=O)NCCO[C@H]1CCN(C(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)C1 2282517672 BXMVSSXLAYIBMT-INIZCTEOSA-N 461.368 2.137 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C(=O)O)N(C(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)C1 2282528089 MPGQAQZNLYQVPL-TZMCWYRMSA-N 481.380 2.025 30 10 JEEE Cn1ncc(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 2282534409 FYGOGWOPQCQLOM-ABFRBSLYSA-N 460.384 2.141 30 10 JEEE CCn1cc(C(=O)N=[S@@](C)(=O)C[C@@H](C)NC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2282535891 VELQWOOBNHLPQW-GSLRCMBYSA-N 484.428 2.353 30 10 JEEE C[C@H]1CCCN(C(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)[C@@H]1CNC(=O)OC(C)(C)C 2282551536 KBTKHKOIQSXZCV-DOTOQJQBSA-N 462.400 2.485 30 10 JEEE Cn1cc(C(=O)N2C[C@@H](NC(=O)OC(C)(C)C)CC(C)(C)C2)nc1B1OC(C)(C)C(C)(C)O1 2282551643 LEUZSUJONABBHM-HNNXBMFYSA-N 462.400 2.485 30 10 JEEE Cn1cc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]3CC[C@H]32)nc1B1OC(C)(C)C(C)(C)O1 2282552657 LRUMVIUDQUUIMT-UXLLHSPISA-N 460.384 2.237 30 10 JEEE CC(C)(C)OC(=O)N(CCO)[C@H]1CCCN(C(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C1 2282627016 FWUFWWRHOHWFRK-HNNXBMFYSA-N 481.424 2.276 30 10 JEEE CC(C)(C)OC(=O)NCCO[C@@H]1CCN(C(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2282666625 YOKDDGDUWMGYKL-MRXNPFEDSA-N 461.368 2.137 30 10 JEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1C[C@@H](NC(=O)C(F)(F)F)C[C@@H](C)C1 2282831989 HQOWNMOAHLANBD-YPMHNXCESA-N 496.382 2.433 30 10 JEEE CN(C)C(=O)CN(Cc1ccccc1)S(=O)(=O)Cc1ccccc1B1OC(C)(C)C(C)(C)O1 2282843747 RSCBEDFWFDTCNQ-UHFFFAOYSA-N 472.416 2.406 30 10 JEEE CC1(C)OB(c2cncc(S(=O)(=O)NCCc3nccn3Cc3ccccc3)c2)OC1(C)C 2282863659 VEJGQXGWGCUSDL-UHFFFAOYSA-N 468.388 2.147 30 10 JEEE C[C@H]1C[C@H](NC(=O)C(F)(F)F)CCN1S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282875056 JWNFWAXEZOWOHL-GXTWGEPZSA-N 496.382 2.409 30 10 JEEE C[C@H](NC(=O)CN(CCN(C)C)C(=O)OC(C)(C)C)c1nscc1B1OC(C)(C)C(C)(C)O1 2284067425 LVYUCQKFLVWMPO-HNNXBMFYSA-N 482.456 2.418 30 10 JEEE COc1ccc(C=Nn2c(CNC(C)=O)nnc2SCC(=O)NCc2ccccc2)c(OC)c1 2330794303 SAKXSUXNPIJMDP-UHFFFAOYSA-N 482.566 2.222 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CS(C)(=O)=O)C(=O)N1CC[C@@H]2C[C@]2(B2OC(C)(C)C(C)(C)O2)C1 2335399045 FPGGEHZMKCDZAP-PZPWOCDFSA-N 472.413 2.009 30 10 JEEE COc1nc(OC[C@@H]2COC[C@@H]2NC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2339826118 SAVYZTLVWXZDDI-HOCLYGCPSA-N 450.341 2.308 30 10 JEEE CC(=O)c1cccc(S(=O)(=O)NCCC(=O)O[C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)c1 922222651 CDBKPTISHJXLQT-HRZDDSQGSA-N 477.583 2.420 30 10 JEEE COc1ccc(C=NNc2nnc(SCC(=O)Nc3cc(OC)cc(OC)c3)n2N)cc1 1084239632 PVOTUMYWFYIHCF-UHFFFAOYSA-N 457.516 2.195 30 10 JEEE C#C[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1)[C@H]1CCCO1 1128169482 BNKREXJOMXCNSM-JCGIZDLHSA-N 455.374 2.147 30 10 JEEE COC(=O)N1CCN(c2ccc(NC(=O)[C@@H]3CCN(c4ccc(C#N)cc4F)C3)cn2)CC1 1129162972 DQJCHBOLTXJQGY-QGZVFWFLSA-N 452.490 2.446 30 10 JEEE C=C(C)C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1)C(=O)OCC 1133157890 VCDMWZGJBOUCFT-HXUWFJFHSA-N 450.557 2.304 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](CO)c2ccc(Br)cc2)s1 1160058911 FXCZYNOFMHUDJU-HNNXBMFYSA-N 459.387 2.367 30 10 JEEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccccc1OCC)[C@H]1CCS(=O)(=O)C1 1286385328 WLFRVZSQIROQSM-GBXCKJPGSA-N 488.610 2.004 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2cccc(C)c2C)n1Cc1nncn1CC)[C@H]1CCS(=O)(=O)C1 1286385962 RSEPKTFPDUYBGH-PMACEKPBSA-N 497.625 2.321 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1Cc1cccc(COC)c1)[C@H]1CCS(=O)(=O)C1 1286386548 CNXJVLWDBUCOSE-FQEVSTJZSA-N 453.568 2.105 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1286486780 BCSLSAQLCMMWGO-KRWDZBQOSA-N 490.029 2.389 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2C[C@H](OC)C2CC2)CC1 1286492629 OIZHMCJYYUGURF-NRFANRHFSA-N 455.534 2.387 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@]2(O)CCC[C@@H]2C)CC1 1286494758 QVGQXTJPQLSJGQ-QMHKHESXSA-N 456.616 2.151 30 10 JEEE C#CCSCCn1c(-c2ccc(CC)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1286501262 RJAOVNZCPDGDQS-IBGZPJMESA-N 452.584 2.347 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CC(=O)N1CCOCC1 1286565257 ZPFUBJAQLFUQOL-YVNJGZBMSA-N 475.634 2.473 30 10 JEEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(c2cnccn2)CC1 1286592604 MXBHSHWPUBAPOC-SFHVURJKSA-N 470.578 2.279 30 10 JEEE C=CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1286700230 GCLNNYHOXANCMX-HNNXBMFYSA-N 457.560 2.078 30 10 JEEE C=CCn1c(Cc2ccccc2C)nnc1N1C[C@@H]2[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1286775896 MHWCYWAHWBYBHC-HSALFYBXSA-N 487.626 2.490 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC(CCCN2CCOCC2)CC1 1286788015 OLCHYCKFPSPMIB-NRFANRHFSA-N 460.623 2.151 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Br)cc2)nnc1N(C)CC(=O)NC(C)(C)C 1286791851 FHFMWXBLFGWMID-UHFFFAOYSA-N 493.406 2.273 30 10 JEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCSC(CC)(CC)C1 1286823170 LKDDJLRSAGYXSA-UHFFFAOYSA-N 455.650 2.113 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC=C(Br)C1 1286825890 ZCSNYKRDKXQNQR-HOCLYGCPSA-N 475.409 2.092 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)o2)n1Cc1nccc(C(F)F)n1)[C@@H]1CCS(=O)(=O)C1 1300485184 YCARHUOHEOWSSF-CQSZACIVSA-N 462.482 2.249 30 10 JEEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(N2CCOCC2)c(F)c1 1300558846 DUGBGIJSDUWSMI-SANMLTNESA-N 481.572 2.417 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccc3)n2C[C@H]2CCCS(=O)(=O)C2)n1 1300680470 CMHUHMKJPKQEFV-HXUWFJFHSA-N 482.610 2.253 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2OCCC2(C)C)CC1 1300731455 PUFZQTJBBCLGDM-IBGZPJMESA-N 484.626 2.051 30 10 JEEE C=C(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1300927687 YHVAUVXLTKFBQG-UHFFFAOYSA-N 494.987 2.258 30 10 JEEE C=C(C)COCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1300981367 ZBTYAPLSVYFSQM-UHFFFAOYSA-N 451.575 2.056 30 10 JEEE C=CCCCn1c(N2CCC(C(=O)N3CCOCC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1301233967 AKFVSAGKLXQSGK-DEOSSOPVSA-N 461.607 2.360 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)Cc1cscn1 1301584909 GDSRUYRMJFKVNG-UHFFFAOYSA-N 471.568 2.288 30 10 JEEE C=CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C2CC2)C(=O)C1 1301611410 MBWBSOQUCWSUTP-SFHVURJKSA-N 492.646 2.317 30 10 JEEE C=CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](COC)C1 1301612112 VSEBWXZTYXHVNL-ZWKOTPCHSA-N 483.635 2.357 30 10 JEEE N#Cc1cccc(-c2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2CCCN2CCOCC2)c1 1302989144 IEWVUUAFSMDGGV-GOSISDBHSA-N 450.465 2.307 30 10 JEEE CCC[C@H](C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cnn(C)c2)CC1 1306546998 FMOQANWRCZOADB-IBGZPJMESA-N 475.601 2.429 30 10 JEEE COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)c1ccc2c(c1)OCO2 1316101229 FNERYFWKEVYOFD-KRWDZBQOSA-N 489.598 2.253 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CCCC3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)c1 1358901926 ACHLYQYUVRNPKA-LJQANCHMSA-N 484.626 2.273 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2C[C@](C)(O)CCOC)c1 1358902050 DBCZLYPTDRWCSB-NTKDMRAZSA-N 455.559 2.016 30 10 JEEE C#CCCCCn1c(Cc2ccncc2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1358915268 XUMUGXTZNPBKOA-XUZZJYLKSA-N 463.630 2.446 30 10 JEEE C#CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1358926952 HWAAITHMWYEVDK-QGZVFWFLSA-N 468.583 2.273 30 10 JEEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 1358937028 GGEJNJWASFEKIV-CVDCTZTESA-N 484.576 2.315 30 10 JEEE C#CCN(C)c1nnc(CCc2ccc(OC)cc2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1358951746 KQPODIDFDJADAX-SFTDATJTSA-N 465.577 2.487 30 10 JEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCc1ccc(F)cc1Cl)[C@@H]1CCS(=O)(=O)C1 1358955874 VJBINIRWFIVTSU-GOSISDBHSA-N 493.992 2.176 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@H]1CCCN(C(C)=O)C1)[C@@H]1CCS(=O)(=O)C1 1358968102 ZMENWTNPYWPFSQ-FCHUYYIVSA-N 499.637 2.051 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1358990978 JLUGSJXMEKHFLZ-JOCHJYFZSA-N 477.594 2.018 30 10 JEEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1Cc1cccnc1-n1cccn1 1358997372 QDGNLRGXTKKRMV-UHFFFAOYSA-N 470.562 2.362 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3OCC)n2CC(C)(C)N2CCOCC2)CC1 1359039748 UKDLBBJVOLMBLJ-UHFFFAOYSA-N 482.629 2.122 30 10 JEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)Nc2ccc(C)cn2)CC1 1359060011 HJBJOHXRQQZNQY-UHFFFAOYSA-N 481.626 2.325 30 10 JEEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(C)(C)N2CCC(OC)CC2)CC1 1359165723 VLMGFAQJGIJMPU-SFHVURJKSA-N 451.637 2.226 30 10 JEEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1359201946 FERASNYSBPOFIQ-PMACEKPBSA-N 457.623 2.109 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(F)cccc1N1CCCC1 1359240417 NTYZWDNYVQPHCU-FQEVSTJZSA-N 478.594 2.021 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccnc(N3CCCCC3)c2)C1 1359313267 JKVUWVYAHPOEQN-UYAOXDASSA-N 489.646 2.103 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cccnc2OCCC)C1 1359321790 LSEJRRJJKVQWBH-MOPGFXCFSA-N 461.588 2.194 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCCN(c2ccccc2)CC1 1359332522 ZNXGFXKVUZYGAH-HXUWFJFHSA-N 459.616 2.490 30 10 JEEE CC(C)C(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCC2)CC1 1359626218 GWDNKNYDQQMPKN-UHFFFAOYSA-N 452.559 2.385 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1C[C@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1507626335 NNSXHJPDLFJLNU-YESZJQIVSA-N 450.536 2.219 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1CCOC(C)C)[C@H]1CCS(=O)(=O)C1 1507627152 RARMXSGXPLGJRW-INIZCTEOSA-N 484.420 2.098 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@H](c1ccc(CC)cc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1507630674 FHORWWYAGKSIFU-DHIUTWEWSA-N 495.653 2.171 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CC=CCO1 1507660824 DWDZCNOYLVBVPH-IBGZPJMESA-N 452.584 2.355 30 10 JEEE C#CCN(CC#CC)c1nnc(Cc2cccnc2)n1Cc1ccccc1CN1CC[C@H](O)C1 1507670053 AOXWXGXAWIWXPX-VWLOTQADSA-N 454.578 2.342 30 10 JEEE C=C(C)Cn1c(Cc2csc(C)n2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1507832666 LDUYXYKHXQXFBX-OAQYLSRUSA-N 459.664 2.441 30 10 JEEE C=C1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CC(=O)NCC(F)(F)F)CC1 1507882849 NRTFFRKEUJGZKS-UHFFFAOYSA-N 471.509 2.073 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCN2CCCC[C@H]2CC)CC1 1507902019 HKCPVEDYULEMIH-RTWAWAEBSA-N 480.679 2.278 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](C)N1CCN(CC)CC1 1539015639 QKOSMCJXPZQCSV-ACRUOGEOSA-N 489.665 2.070 30 10 JEEE C#CCCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1539049574 PSMKKROTFOSKCQ-INIZCTEOSA-N 480.660 2.219 30 10 JEEE C#CCCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CC[C@@](C)(C(N)=O)C1 1539078884 HMMYTQDCNPCRTG-AREMUKBSSA-N 463.630 2.148 30 10 JEEE C#CCN(c1nnc(CC)n1CC(C)(C)c1ccc(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1539218933 GBXCTJXZCKHSPT-GOSISDBHSA-N 460.600 2.462 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1539231559 VZKVVAHZQQOGFK-QUCCMNQESA-N 462.547 2.192 30 10 JEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCn1cc(Cl)cn1 1539237639 HREKUSXMXFPJJS-UHFFFAOYSA-N 470.990 2.170 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@](C)(O)CC)CC1 1539470499 RTGATLHBCFBJPH-HXUWFJFHSA-N 463.380 2.163 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCC(=O)NC2CCCCC2)CC1 1539476311 VGNGYZCGRPGOLS-UHFFFAOYSA-N 463.586 2.145 30 10 JEEE C=C(C)CN(CC)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1539645681 PLFFXQSAQVFYFW-GOSISDBHSA-N 453.595 2.417 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)c1ccc([S@](C)=O)cc1 1539705443 TXPGHOVQVMVETQ-LPGCABEGSA-N 481.644 2.122 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1539744235 GGFJRKKMOQGYBP-IBGZPJMESA-N 455.519 2.057 30 10 JEEE C=C(Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(CNS(C)(=O)=O)CC1)c1ccccc1 1539770917 RTWHQPBWSFQSAW-VXKWHMMOSA-N 489.642 2.481 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)CN1CCOCC1 1540146535 GQELSEBYUANGJH-RTBURBONSA-N 479.672 2.403 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 1540898530 MYLWVMVMMPINJW-HNAYVOBHSA-N 461.544 2.458 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CC[C@H](C(=O)N(C)c2ccccc2)C1 1540904278 LDQMGDJTZHQCFA-NRFANRHFSA-N 494.621 2.354 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc(COc2ccccc2F)n1C[C@H]1CCCN1S(C)(=O)=O 1541806274 HTBQXNHZZCWVLO-JKSUJKDBSA-N 450.540 2.159 30 10 JEEE N#Cc1ccc(O[C@@H]2CCN(C(=O)CCNS(=O)(=O)c3ccc4c(c3)CCCC4)C2)nc1 1569817841 DQHLYSZCPKTKJC-HXUWFJFHSA-N 454.552 2.180 30 10 JEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1587766849 ZNPSYRLOWWTFRX-BHIFYINESA-N 482.610 2.158 30 10 JEEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1CCc1ccccn1)[C@@H]1CCS(=O)(=O)C1 1588069262 KQBHCQDDKIMOMH-HXUWFJFHSA-N 481.578 2.130 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2Cc2cccc(C(=O)NCCC)c2)CC1 1588955194 QNQDUKGBXPKQCD-UHFFFAOYSA-N 499.619 2.418 30 10 JEEE C#CCSCCn1c(-c2cccnc2)nnc1N1CCN(c2nccc(OCC)n2)CC1 1589048197 XRRZTENKEDHHPF-UHFFFAOYSA-N 450.572 2.222 30 10 JEEE C=CCCCn1c(Cc2ccccc2OC)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1594744604 VITVMQZPRBTJFG-UHFFFAOYSA-N 454.575 2.017 30 10 JEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1ccc(C)cc1)N1CCCC1 1594963639 WBVCYJSYZSCGLC-FCHUYYIVSA-N 488.658 2.379 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CCC(N2CCNC2=O)CC1 1595501297 OVZSNPQEUJNRES-UHFFFAOYSA-N 494.419 2.065 30 10 JEEE C=CCNC(=O)Cn1c(N2CCO[C@H](CCC)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1595602032 DFQFNIQBVLTQNH-FGTMMUONSA-N 462.595 2.356 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCN(c2ccccn2)CC1 1595811808 BQXIUWPBRWBJFU-UHFFFAOYSA-N 458.613 2.253 30 10 JEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](CCO)c2ccccc2Br)cc1 1611468256 NZVBZVJWHPPKHE-GOSISDBHSA-N 451.342 2.214 30 10 JEEE CC[C@H](C)[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCn2nc(C)nc2C1 1613123529 HEURYTBRJWVLCA-HJPURHCSSA-N 450.547 2.446 30 10 JEEE CCOc1ccc(-c2nnc(N(C)[C@H](C)CC#N)n2C[C@@H]2CCN(S(C)(=O)=O)C2)cc1OC 1616330526 ARRJRUYBXHVLHC-IAGOWNOFSA-N 476.603 2.372 30 10 JEEE CCOc1ccc(O[C@@H](C)c2nnc(N3CCO[C@H](C#N)C3)n2CCC(=O)NC(C)C)cc1 1616416275 FILIBZUWNGGSLF-FXAWDEMLSA-N 456.547 2.460 30 10 JEEE CNC(=O)CCCN(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(N2CCOCC2)nc1 1618736054 BBFZIBJEKGKFHB-UHFFFAOYSA-N 474.569 2.059 30 10 JEEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2cccc(CN3CCC(C(N)=O)CC3)c2)c1 1630376733 CZIWWFDYQNXVLT-UHFFFAOYSA-N 453.564 2.433 30 10 JEEE C=CCc1cc(CNC(=O)N2CCN(c3nccn4cnnc34)[C@@H](C)C2)cc(OC)c1OC 1630469239 PKVGNZFBHYYRGH-INIZCTEOSA-N 451.531 2.290 30 10 JEEE C#CCN1CCN(C(=O)c2ccc(NS(=O)(=O)c3ccc4c(c3)OCCCO4)cc2)CC1 1631503745 JVUVYMMJZHHPAG-UHFFFAOYSA-N 455.536 2.040 30 10 JEEE C#CCN1CCN(C(=O)CSc2nnc(-c3ccc(OC)cc3)n2Cc2ccco2)CC1 1640638003 HMKJHOKCCMWRIC-UHFFFAOYSA-N 451.552 2.465 30 10 JEEE CC(C)(C)OC(=O)N1CC(CS(=O)(=O)NC2CCC(Oc3ncccc3C#N)CC2)C1 1661502734 DKJCHRXOPPZSKZ-UHFFFAOYSA-N 450.561 2.430 30 10 JEEE C=C[C@@H]1OCC[C@H]1NC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(F)(F)F 1665314708 GKVBIMKSFDFETH-ZBFHGGJFSA-N 479.477 2.114 30 10 JEEE C#CCn1ccc(CN(CC)C(=O)NC[C@H](c2ccc(OC)c(OC)c2)N2CCOCC2)n1 1665487995 GUQBIAIAZTXGTC-OAQYLSRUSA-N 455.559 2.139 30 10 JEEE C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCN(S(=O)(=O)c2ccc(OCC)c(OCC)c2)CC1 1683310150 TXOLAIRJWZFTCG-HKUYNNGSSA-N 467.588 2.091 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1Cc1ccc(OC)nc1OC)[C@@H]1CCS(=O)(=O)C1 1689982822 VLBKSYZQXBXOOG-LJQANCHMSA-N 497.577 2.041 30 10 JEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCN(CCC)C1 1690013265 IJHSEUJSAFMRIT-IBGZPJMESA-N 453.616 2.043 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC1(C(N)=O)CCCC1 1690013452 OTXVIIWTFMTEMP-UHFFFAOYSA-N 471.565 2.184 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CC12CCOCC2 1690095747 BPJSPAADWXPKBI-LJQANCHMSA-N 458.584 2.251 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@@]2(C)COCCO2)CC1 1690115551 KGBYQGOKPGWGLA-IBGZPJMESA-N 466.405 2.330 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCn2cc(Cl)cn2)CC1 1690117784 VUBHLMFJFHMTCD-UHFFFAOYSA-N 455.950 2.268 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2Cc2csc(COC)n2)CC1 1690133658 OXGVJSVUFVNSSA-UHFFFAOYSA-N 456.547 2.403 30 10 JEEE C#CCN1CCN(c2nnc(CSc3ccccc3OC)n2CC2(C(N)=O)CCCC2)CC1 1690134891 JJJRXMZEJGGLTO-UHFFFAOYSA-N 468.627 2.380 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(N3CCOCC3)nc2)CC1 1690146595 RMWOEIAUDSDSNI-UHFFFAOYSA-N 479.629 2.112 30 10 JEEE C=C(C)Cn1c(COc2ccccc2OC)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1690295599 DIOVJYDWJMICRY-GOSISDBHSA-N 454.575 2.231 30 10 JEEE C=C(C)Cn1c(N2CCN(C[C@@H]3CN(C(C)C)CCO3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1690298166 RBGMPBROGQHUGR-RCZVLFRGSA-N 476.666 2.126 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCO2)n1CC1(O)CCS(=O)(=O)CC1 1690561398 OKRZFKLDOSOEPK-HXUWFJFHSA-N 471.583 2.134 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1690676067 OXRZMIDJLPVPJC-UHFFFAOYSA-N 495.628 2.450 30 10 JEEE CO[C@@]1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCCC[C@H](S(C)(=O)=O)C2)CCOC1 1697227659 BDSLBXXCFPZFNZ-SIKLNZKXSA-N 459.572 2.026 30 10 JEEE COCC1(Cn2c(-c3cccc(C#N)c3)nnc2N(C)C2CCN(S(C)(=O)=O)CC2)CCC1 1697805092 BXRATIYCDAFZQV-UHFFFAOYSA-N 472.615 2.494 30 10 JEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cccc(C(=O)NCC)c1 1705552057 VFKQFZKAMYUCNX-FQEVSTJZSA-N 482.585 2.454 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1ccc(OC)c(OCC)c1)[C@H]1CCS(=O)(=O)C1 1705566647 PGNAUMOIZVUSMI-UXHICEINSA-N 488.610 2.254 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1CCN1CCN(C)C(C)(C)C1 1705575490 MBCSVRKJFHFDCF-UHFFFAOYSA-N 458.408 2.135 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1ccc(-n2cncn2)nc1 1705587060 GMACFMSBJULCAC-FQEVSTJZSA-N 487.568 2.447 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)CC1 1705648767 YKAGJJYCKVTJHB-ONTIZHBOSA-N 486.661 2.373 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCC(C)(C)C)CC1 1705661505 CWEQTCQUNLBFDQ-SFHVURJKSA-N 453.678 2.105 30 10 JEEE C=C(Br)Cn1c(-c2noc3c2COCC3)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1705684965 ILHRKJHTSQBQCQ-CQSZACIVSA-N 465.352 2.219 30 10 JEEE C=C(C)COCCn1c(N2CCc3nn(C)c(=O)cc3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705740580 PVAQXAJAHZMRPD-IZAXUBKRSA-N 499.616 2.298 30 10 JEEE C=C(C)COCCn1c(N2CCN(C(=O)c3ccccc3)CC2)nnc1[C@@]1(OCC)CCOC1 1705740741 VVOOBJNXQOASAY-RUZDIDTESA-N 469.586 2.485 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cc(COC(C)(C)C)on2)CC1 1705768985 FWWLJZIOLYEANR-LJQANCHMSA-N 494.618 2.119 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 1705894982 PZILHGNTNAVJAO-UHFFFAOYSA-N 491.637 2.334 30 10 JEEE C[C@H]1CN(c2ccc(Cn3c(-c4cccc(C#N)c4)nnc3N(C)[C@H](C)CC(N)=O)cn2)CCO1 1708152280 CBMQJPNPOYFWAL-MSOLQXFVSA-N 474.569 2.185 30 10 JEEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(N(C)C)CCOCC2)C[C@@H](C)O1 1712282773 BHUQJOPFQVJMCV-NQIIRXRSSA-N 454.575 2.168 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1Cc1cccc(NC(C)=O)c1)[C@H]1CCS(=O)(=O)C1 1722365758 NVJTYHZUJXAAED-NRFANRHFSA-N 498.634 2.267 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H]1CN(CC(C)C)CCO1 1722423984 XBYKZQIURWWFFB-NRFANRHFSA-N 469.586 2.159 30 10 JEEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1722454262 ATPUVVAPYOTMNM-FQEVSTJZSA-N 450.568 2.011 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](COCc2ccccc2)C1 1722553868 ALEVEQQTNZJTKV-PMACEKPBSA-N 496.033 2.407 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(CS(C)(=O)=O)CC1 1722659721 ZSDFXPZIWDSGKX-LJQANCHMSA-N 478.640 2.198 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC(S(=O)(=O)CC)CC1 1722695454 DAZLAMULMUEPOC-UHFFFAOYSA-N 482.006 2.313 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(F)ccc2Br)nnc1N(C)CCC(=O)NC 1722724311 SYXDCXMNYZXBBX-UHFFFAOYSA-N 488.383 2.020 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CCN(C2CCC2)CC1 1722732430 ZBDFUWVUMADYOH-UHFFFAOYSA-N 463.579 2.272 30 10 JEEE CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCCC2)CC1 1727103158 HVZOLLLPFRMLSU-OAQYLSRUSA-N 478.645 2.339 30 10 JEEE CCOC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2nnc(C)s2)CC1 1728697036 FVVGWUISEYTHSE-UHFFFAOYSA-N 452.544 2.498 30 10 JEEE COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)N2CCC(C)CC2)CC1 1730418416 HGGLCWSHVKEHEJ-FQEVSTJZSA-N 465.602 2.232 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCN(CC)C2)c1 1740561868 JQPABZXNXQNHFJ-HXUWFJFHSA-N 486.580 2.323 30 10 JEEE C#CCCCCn1c(COc2ccccc2OC)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1740580285 UCCFBUZQAKCHMJ-UHFFFAOYSA-N 466.542 2.190 30 10 JEEE C#CCN(c1nnc(-c2ccc3ccccc3n2)n1C[C@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1740619576 KLJADFDUQFKUNB-HKUYNNGSSA-N 452.584 2.070 30 10 JEEE C#CCN(c1nnc(-c2ccccc2F)n1CCCN1C[C@H](C)O[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1740620890 HEUJWJYXTNCZQT-ZCNNSNEGSA-N 489.617 2.210 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccc(C)cc1)N1CCOCC1 1740656727 MDLNLZSLOJXNIV-BJKOFHAPSA-N 495.649 2.025 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1740679760 JHIUDOMTQPQAAF-PMPSAXMXSA-N 465.542 2.343 30 10 JEEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](C)N1CCC[C@@H](C)C1 1740683652 MHSONHWLJSIEEA-UXHICEINSA-N 487.674 2.445 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCc2nc(C)c(C)s2)CC1 1740693443 YLTDDFLOUGQYEC-HSZRJFAPSA-N 458.632 2.390 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2(N(C)C)CCCCC2)CC1 1740700724 FYRCEELVKUKRQJ-UHFFFAOYSA-N 492.628 2.156 30 10 JEEE C#CCSCCn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1740721580 NGRPLCZOILBDCQ-LJQANCHMSA-N 494.625 2.372 30 10 JEEE C=C(Br)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C 1740736185 GMPXENGQXJZXAJ-ZDUSSCGKSA-N 481.782 2.437 30 10 JEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1740864209 KFKHPIRXIOUGMF-OALUTQOASA-N 496.678 2.098 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1740954746 FPWYMMYXBQAZKU-UHFFFAOYSA-N 482.585 2.246 30 10 JEEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](c2ccc(F)cc2Cl)C1 1740963206 CVZJOOQZGNGVJL-GOSISDBHSA-N 476.940 2.073 30 10 JEEE CCOC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC2(O)CCC2)CC1 1746560760 BDOJHSCXSRRTAN-UHFFFAOYSA-N 454.531 2.312 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CCOc2ccc(Cl)cn2)c1 1748693170 ZSZFXJSNQPTHFA-IBGZPJMESA-N 493.955 2.413 30 10 JEEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1748703610 UPSWGXCWEHNADV-NHCUHLMSSA-N 484.626 2.246 30 10 JEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN([C@H](C)c2ccc(F)cc2F)CC1 1748732272 XNERIZMOQSETRI-DLBZAZTESA-N 480.585 2.463 30 10 JEEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCC(CNS(C)(=O)=O)CC1 1748735672 VRHKIMAFOZANNK-UHFFFAOYSA-N 483.436 2.225 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(C)cc1C)[C@@H]1CCS(=O)(=O)C1 1748803382 YBMIMFASICKGAC-HXUWFJFHSA-N 478.578 2.217 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H](OC)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1748812759 ZRZZSLWUQRBDIH-PZJWPPBQSA-N 453.568 2.298 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1oc2ccccc2c1OC 1748863904 KJIWCVFJVLUQEO-MRXNPFEDSA-N 455.540 2.154 30 10 JEEE C#CCN(CC)c1nnc(-c2ccc(F)cc2Br)n1CCC[C@@H]1NC(=O)NC1=O 1748916823 FNFYBPFKDOBLGZ-HNNXBMFYSA-N 463.311 2.294 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2C[C@]2(O)CCOC2)CC1 1748984717 QBWHSXIRLWNIAC-RUZDIDTESA-N 453.587 2.277 30 10 JEEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1749195316 KWECGSMJORFGBE-IRXDYDNUSA-N 464.567 2.440 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC(=O)N(C)C)C1 1749710399 WTXPPDLSELPKIL-ROUUACIJSA-N 462.595 2.262 30 10 JEEE CC(=O)N(C)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2nnc(C)s2)CC1 1749782693 AZZXBWNMNSOXIL-UHFFFAOYSA-N 466.571 2.384 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCN1CCCO[C@H](C)C1 1760110387 CWYRQRRCDJIAQP-RBUKOAKNSA-N 473.647 2.197 30 10 JEEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCO[C@@H]1c1ccc(C)cc1 1760175404 JCRFQIHAYYCNNS-BHIFYINESA-N 487.626 2.157 30 10 JEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CC[C@@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1760180369 CSWRTMFNQSFFSP-RTBURBONSA-N 464.975 2.031 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(F)ccc3Br)n2Cc2nncn2CC)CC1 1760254794 LCMVBLQPGHBKRE-UHFFFAOYSA-N 473.354 2.262 30 10 JEEE C=C(Cn1c(CC)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1)c1ccccc1 1760364171 IDFGMIDUEWVQGR-UHFFFAOYSA-N 450.587 2.494 30 10 JEEE C=CCCOCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC[C@@H](C(=O)NC)C1 1760449483 LEQRUEDPZUQPQP-GOSISDBHSA-N 479.585 2.230 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)Cc1cnn(C)c1C 1760514353 CGFXJQRZAICHCZ-UHFFFAOYSA-N 450.547 2.128 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)NC(CC)CC)nnc2N2CC(=O)N(C)C[C@@H]2C)cc1 1760530302 NLPFQLWPFDXEQW-KRWDZBQOSA-N 454.575 2.477 30 10 JEEE CC[C@H](C)N(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](C(=O)NC)C1 1762017816 HERFXZPGAUMLNM-ICSRJNTNSA-N 453.591 2.421 30 10 JEEE CCN1CCC[C@H]1Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCO[C@@H](C#N)C1 1765433474 HKFRRVBWZMMMHC-ROUUACIJSA-N 456.547 2.184 30 10 JEEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@](C)(OC)C2CC2)C1 1767252215 GSUBPYBVMMAXIS-UGKGYDQZSA-N 458.588 2.150 30 10 JEEE COCCN(C)CCn1c(-c2ccccc2C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1769785584 GSBLJIFJMMKRHA-UHFFFAOYSA-N 477.617 2.072 30 10 JEEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)c2nccs2)CC1=O 1771149821 HXFWICICAJCATB-QGZVFWFLSA-N 481.582 2.284 30 10 JEEE CN(c1ccc(NS(=O)(=O)c2ccccc2C#N)cn1)S(=O)(=O)c1ccc2nc(O)[nH]c2c1 1858272514 TXHHZSMLXUJTCB-UHFFFAOYSA-N 484.519 2.161 30 10 JEEE COCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1862614353 BRMDYNCZUVWMEP-OAQYLSRUSA-N 498.444 2.362 30 10 JEEE COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2C[C@@H](C)O)cc(OC)c1O 1862633885 HYJKKVZRUBMGMI-NSPYISDASA-N 457.435 2.097 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@H]2c2ccc3c(c2)OCCO3)cc1 1862695816 IXSUMUWJODSKBK-NRFANRHFSA-N 452.463 2.181 30 10 JEEE C=CCN1C(=O)C(Nc2ccc(S(=O)(=O)NC(C)=O)cc2)=C(c2ccc(F)c(C)c2)C1=O 1863452479 ANSAVVHFNUSNDQ-UHFFFAOYSA-N 457.483 2.337 30 10 JEEE CSCC[C@@H](NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(=O)N1CCN(C)CC1 1868781976 CRIBGOPLEALOLV-RTBURBONSA-N 463.673 2.037 30 10 JEEE COc1ccccc1N1CCN(C(=O)CNC(=O)C2CCN([C@@H](C#N)c3cccs3)CC2)CC1 1868782488 JKCJNSGJAOVOLQ-NRFANRHFSA-N 481.622 2.498 30 10 JEEE N#Cc1nnn(-c2ccc(I)cc2)c1NS(=O)(=O)c1ccccc1[N+](=O)[O-] 1870098030 JTOVQQCXNFQGNZ-UHFFFAOYSA-N 496.246 2.453 30 10 JEEE C=CCn1c(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc2c(N(CCO)CCO)ncnc21 1873645877 CBQDFAZAVYRKQL-UHFFFAOYSA-N 460.878 2.222 30 10 JEEE CC(=O)NCc1nnc(SCC(=O)Nc2ccccc2F)n1/N=C/c1ccc(C(=O)O)cc1 1874431404 RHIHVUMJXWHBFX-YSURURNPSA-N 470.486 2.365 30 10 JEEE CCCOC(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 1874435571 NHNNYLNLRBHZJR-DNTJNYDQSA-N 454.896 2.403 30 10 JEEE O=C[C@H]1CCN(C(=O)c2cc(I)cc(I)c2O)C1 2029143229 IWZXVHDFZHPJIJ-ZETCQYMHSA-N 471.032 2.262 30 10 JEEE C#CCC[C@H](NC(=O)c1cc(I)cc(I)c1O)C(=O)O 2159130931 XRTIFTWOJLSZAD-JTQLQIEISA-N 499.042 2.198 30 10 JEEE CC(C)(C)OC(=O)N1O[C@@H]2CCC[C@H]2[C@@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2180983006 ACOYGUBJFJMOQM-BZUAXINKSA-N 460.340 2.434 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@](CO)(C(=O)NCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2185172058 KDYLNOAWPRYFQR-XMMPIXPASA-N 460.380 2.222 30 10 JEEE CO[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2187895702 RLVAVVCBDBJOAT-CVEARBPZSA-N 462.356 2.129 30 10 JEEE C=C(Br)CS(=O)(=O)N1CCN([C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)CC1 2226061893 MDUHDNXOQOZDJS-LSDHHAIUSA-N 452.415 2.288 30 10 JEEE CC(C)(C)OC(=O)N1CC([C@@H](F)CNC(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)C1 2255536972 PPCJUKQMJVZHHI-AWEZNQCLSA-N 455.361 2.377 30 10 JEEE CC(C)(C)OC(=O)NCCCN(CCO)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2255702736 KRCJZGUHBXPHFK-UHFFFAOYSA-N 454.398 2.397 30 10 JEEE CO[C@@]1(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)s2)CCN(C(=O)OC(C)(C)C)C1 2256622503 IAEKSOZWYJXNSJ-FQEVSTJZSA-N 453.370 2.407 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1S(=O)(=O)NCC1CN(C(=O)OC(C)(C)C)C1 2267710553 XNEZAVVZCZVEPR-UHFFFAOYSA-N 466.409 2.439 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(CNC(=O)[C@@H](CN(C)C)NC(=O)OC(C)(C)C)s1 2268645427 PEEAEXRMGOBJFN-MRXNPFEDSA-N 467.441 2.427 30 10 JEEE CC(C)(C)OC(=O)NCC1(C(=O)NCc2ccc(B3OC(C)(C)C(C)(C)O3)s2)CC(O)C1 2268722207 WZOCVQDOEJYWFQ-UHFFFAOYSA-N 466.409 2.329 30 10 JEEE C=C(CS(=O)(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)O)B1OC(C)(C)C(C)(C)O1 2273888547 UPYYXCZDQFYKJK-HNNXBMFYSA-N 476.401 2.242 30 10 JEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1C[C@H](NC(=O)OC(C)(C)C)[C@@H]2COC[C@@H]21 2281803627 ZVALNGWPXNRFDG-ULQDDVLXSA-N 462.352 2.251 30 10 JEEE Cn1ncc(C(=O)N2C[C@@H](NC(=O)OC(C)(C)C)CC(C)(C)C2)c1B1OC(C)(C)C(C)(C)O1 2281828920 QUVZACUXZDHRLN-HNNXBMFYSA-N 462.400 2.485 30 10 JEEE COc1ccc(C(=O)NC2(CNC(=O)OC(C)(C)C)COC2)c(B2OC(C)(C)C(C)(C)O2)c1 2281937447 ZTUDGEMHPJQYOH-UHFFFAOYSA-N 462.352 2.018 30 10 JEEE C[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)N(C(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)C1 2281960982 HFROEPIPMYIXGD-HZPDHXFCSA-N 462.400 2.485 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1CC2(C1)C[C@@H]2NC(=O)OC(C)(C)C 2282003686 DSKGCZYNMHKUTE-VZSHHBOJSA-N 460.384 2.203 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)c1 2282113152 MMBUDHBLFDAITB-QFBILLFUSA-N 460.380 2.252 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@H]1CNC(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1F 2282401972 YUTRRQSJEBLKIJ-OAHLLOKOSA-N 464.343 2.491 30 10 JEEE CCc1nn(C)c(C(=O)N2C[C@H]3C[C@H]2CN3Cc2ccccc2)c1B1OC(C)(C)C(C)(C)O1 2282569220 OHZOIJLIJVLQQU-MOPGFXCFSA-N 450.392 2.381 30 10 JEEE CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2284031751 BLOPIIHAWMUNPA-IBGZPJMESA-N 461.412 2.399 30 10 JEEE CN(Cc1ccccc1)C[C@@H](NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284410191 SIQOYIPHLRAGFF-GOSISDBHSA-N 494.444 2.052 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2285181541 WVAMCIZHHSHJLL-GOSISDBHSA-N 464.343 2.377 30 10 JEEE CN[C@H](C#Cc1ccc(Br)cc1)[C@H](NC(=O)OC(C)(C)C)C1CS(=O)(=O)C1 2296291338 NJJWAIHQZAYMMQ-IAGOWNOFSA-N 457.390 2.327 30 10 JEEE CCN(CC)C(=O)COc1ccc(C=CC(=O)C(=O)N2CCN(C(=O)c3ccco3)CC2)cc1 2323178143 NDRVLEGZJZDDMP-UHFFFAOYSA-N 467.522 2.094 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)Nc3cc(S(=O)(=O)NC4CC4)ccc3OC)cc2C1=O 25891670 CIALHINWMCSVRB-UHFFFAOYSA-N 455.492 2.170 30 10 JEEE C/C(=N\Nc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 107370686 OTNHGQQZIURNBR-BRJLIKDPSA-N 451.418 2.355 30 10 JEEE NS(=O)(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@H]2c2cccnc2)cc1 170356595 PANUXUFHHRJDEY-HXUWFJFHSA-N 479.470 2.241 30 10 JEEE CCS(=O)(=O)c1ccc(N2CCC(NS(=O)(=O)c3ccc(F)c(C#N)c3)CC2)cc1 488665929 GLTLYQLARNBQKQ-UHFFFAOYSA-N 451.545 2.438 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)c(C#N)c3)C2)CC1 728583750 CLUAZOSFBBKQJS-MRXNPFEDSA-N 480.562 2.177 30 10 JEEE C#CCN(C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1CC)[C@@H]1CCS(=O)(=O)C1 729331842 QRZYERFMBYLJNC-MRXNPFEDSA-N 452.989 2.359 30 10 JEEE CN1CCC(n2c(=C(C#N)C(=O)CC(C)(C)C)sc(=Cc3cnn4ccccc34)c2=O)CC1 729669348 LVXSVVYADBLQKI-UHFFFAOYSA-N 463.607 2.333 30 10 JEEE COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)N(C)CCCc2[nH]nc(N)c2C#N)cc1 824821853 JCBVCJOJGVDJCH-UHFFFAOYSA-N 482.566 2.402 30 10 JEEE C=CCNC(=O)NC(=O)Cn1cc(C(=O)OCC)c(=O)c2c(F)ccc(Br)c21 1189921997 JYAUFUNKATXQPW-UHFFFAOYSA-N 454.252 2.092 30 10 JEEE C#C[C@@H](NC(=O)NCCCN1CCN(c2ncccn2)CC1)c1ccc(Br)cc1 1223116140 LADVZIKUMUJBBF-LJQANCHMSA-N 457.376 2.425 30 10 JEEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)Cc2cccc(OC)c2)CC1 1286355925 FUTCHWJSEOIABP-UHFFFAOYSA-N 475.597 2.453 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CCOc1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 1286396658 WTZJKNZMTMTFEA-OAQYLSRUSA-N 465.579 2.278 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cc(Cl)ccc2OC(F)F)CC1 1286478749 BXVCRNJYEKYWTF-HNNXBMFYSA-N 499.971 2.239 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2CCCc2cnn(C)c2)CC1 1286491173 IACWXFNKYATKGZ-UHFFFAOYSA-N 463.561 2.340 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccn2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1286562354 QZXISYTZQUJBJD-NFBKMPQASA-N 467.618 2.312 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc[nH]2)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1286564209 XGYFBFKTMJBYFL-NSHGMRRFSA-N 463.604 2.284 30 10 JEEE C=C(C)COCCn1c(COc2ccccc2F)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1286613263 VZFKPADSSVXWTO-DEOSSOPVSA-N 486.548 2.403 30 10 JEEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1286688915 UMTKRFDXKKOCGS-HXUWFJFHSA-N 475.663 2.209 30 10 JEEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2csc(C)n2)CC1 1286700171 KNSZQAVIOGGPFO-KRWDZBQOSA-N 450.634 2.234 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCCCC1 1286745955 LMUACRVRSUZAPG-JOCHJYFZSA-N 488.658 2.290 30 10 JEEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1286790730 OPRUSOHQDMNMSE-UHFFFAOYSA-N 454.575 2.280 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@]2(C)[C@@H](C1)C2(Cl)Cl 1286793634 IDIVWJVIZIUJLF-QMYADUOMSA-N 458.390 2.324 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1286816223 GOFSDZJTQNCSRY-INIZCTEOSA-N 471.505 2.051 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N(C)Cc1cccc(OC)c1 1286819303 GKSKAXNGGNCBJP-UHFFFAOYSA-N 473.555 2.252 30 10 JEEE CC1(C)CN(CCn2c(CNC(=O)c3cccs3)nnc2N2CCC(C#N)CC2)CCO1 1289043026 HTDRFBWPWXMRIP-UHFFFAOYSA-N 457.604 2.120 30 10 JEEE Cc1csc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)n1 1290353318 HOOPYQCFXNEHEQ-QGZVFWFLSA-N 458.569 2.165 30 10 JEEE CCOCc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CCCN1CCOCC1 1297249538 GAWXWMORPQYEQA-UHFFFAOYSA-N 467.618 2.121 30 10 JEEE COC1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(CC#N)CC2)CCC(C)CC1 1299809497 BLAQTXLODXXWON-WWAKMMQFSA-N 494.662 2.336 30 10 JEEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(Cc2nc(COC)no2)CC1 1300428542 HWEQZZFSXBVHOH-WIYYLYMNSA-N 471.606 2.462 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1cc(C(C)(C)C)no1)[C@H]1CCS(=O)(=O)C1 1300487720 LZOKYMFVSJRCAD-KRWDZBQOSA-N 454.556 2.301 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(-n2ccnc2C)c(F)c1 1300649119 KWRFCJVKYJLPDE-UHFFFAOYSA-N 465.533 2.282 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(F)cc2Br)n1C[C@@]1(O)CCO[C@H]1C 1300655184 RBZGTYPOWHLJKZ-XOBRGWDASA-N 467.339 2.473 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1Cc1cccnc1OCCOC 1300786968 IVDKVYNPGLBZRM-RPWUZVMVSA-N 455.559 2.391 30 10 JEEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(C)cc2)C(=O)C1 1300856537 FMYPBYRIXCUDCW-UHFFFAOYSA-N 473.375 2.471 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1300988792 JKWHHHVKJSLKMW-LJQANCHMSA-N 493.605 2.415 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1300991840 WDTDEFMHSQHXIC-ROUUACIJSA-N 483.635 2.219 30 10 JEEE C=CCCCn1c(-c2noc3c2COCC3)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1301216842 TVRLLKINXSPKQM-UHFFFAOYSA-N 471.606 2.353 30 10 JEEE C=CCCOCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@@](C)(C(=O)NC)C1 1301252977 UHXYYWXUEXWKGX-HSZRJFAPSA-N 451.531 2.149 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H](C(C)(C)C)C1 1301484380 GRMSENRQZWMVJV-GOSISDBHSA-N 474.631 2.370 30 10 JEEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(c2nc(CC)ns2)CC1 1301502640 NLDVFHWKSDUUPE-UHFFFAOYSA-N 488.568 2.190 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1301575507 HXZLHIILMZNEMG-UHFFFAOYSA-N 485.614 2.001 30 10 JEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1358922323 BHCGABFWONVTKG-LJQANCHMSA-N 484.626 2.104 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC=C(c2ccccc2)C1 1358930341 SXFFIMFCOVZTJP-NRFANRHFSA-N 455.584 2.318 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H]1CCCOC1)[C@@H]1CCS(=O)(=O)C1 1358959437 IUPCZWBELUIYHA-IEBWSBKVSA-N 474.583 2.016 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@](C)(O)[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1358966136 IODYPUSVTSGFGR-FPGHNAPASA-N 485.610 2.153 30 10 JEEE C#CCN(CC#C)c1nnc(C2(c3ccccc3)CCC2)n1CCS(=O)(=O)N1CCSCC1 1358970764 XCMGIIKSECBYTP-UHFFFAOYSA-N 483.663 2.200 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC[C@@H]2COCCO2)CC1 1359042938 ZWRSOTBSNBTTMG-LJQANCHMSA-N 487.988 2.378 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(Cl)ccc1OC 1359070314 KIWXSZSDVFVUHT-DENIHFKCSA-N 494.017 2.313 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCCCC2)CC1 1359091853 UAQQCIIHUCSQIC-DYXWJJEUSA-N 480.679 2.324 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1359104113 YFTCUTILDSKVBP-CBQOVEMMSA-N 455.559 2.098 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1359292545 RUZRSGXKYZENPS-NYHFZMIOSA-N 474.949 2.405 30 10 JEEE CC(C)CCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(S(C)(=O)=O)cc1 1359929327 CGTUYUAZURLIOT-LJQANCHMSA-N 493.655 2.398 30 10 JEEE CSC1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(C)C(=O)[C@@H]2C)CCN(C)CC1 1505188859 CSWWUELURGZGJZ-KRWDZBQOSA-N 453.616 2.311 30 10 JEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1507556252 GKLIOUPHNXCLEX-FXAWDEMLSA-N 456.572 2.141 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CC1(CC(C)C)CC1)[C@H]1CCS(=O)(=O)C1 1507637285 JCVPENXGRSBURV-UFYCRDLUSA-N 464.632 2.455 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCC2CCOCC2)CC1 1507720104 GZJBDUMHCBKNNZ-UHFFFAOYSA-N 471.627 2.311 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCN2CCCO[C@H](C)C2)CC1 1507720456 HBAQQANPFPMQSY-LJQANCHMSA-N 458.010 2.250 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CCN2CCC[C@H]2C)CC1 1507739923 LUTWPXUKSZFVKF-QGZVFWFLSA-N 455.632 2.084 30 10 JEEE C=C(Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(OC)C1)c1ccccc1 1507850798 BJLPFXGJRNLEKT-NFBKMPQASA-N 475.615 2.330 30 10 JEEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccnc(N2CCCCC2)c1)C1CC1 1507988800 VXWRCBTXONLAHP-KRWDZBQOSA-N 459.620 2.477 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN2C(=O)CC[C@H]2C1 1508135077 YAHVFZRYCQJZGP-HNNXBMFYSA-N 467.954 2.149 30 10 JEEE C=CCSCCn1c(COc2ccccc2F)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1508167506 MEULXJXNBIFHPZ-QGZVFWFLSA-N 474.562 2.388 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc(-c2ccccc2Cl)n1CCNS(=O)(=O)Cc1ccon1 1508415315 CNPOAFMRTJQCNL-AWEZNQCLSA-N 463.951 2.302 30 10 JEEE Cc1cc(CN2CCN(c3nnc(-c4cccc(C#N)c4)n3CCC(=O)NC(C)C)CC2)no1 1510683254 DKVHACSRVHFDQK-UHFFFAOYSA-N 462.558 2.350 30 10 JEEE Cc1nn(C)c(N2CCN(C(=O)[C@@H]3CC(=O)N(C)[C@@H]3c3ccc(Cl)c(F)c3)CC2)c1C#N 1516422590 BQOOZDNNSZZADZ-FOIQADDNSA-N 458.925 2.261 30 10 JEEE CNC(=O)C(C)(C)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N(C)[C@H](C)CC#N 1517442083 ICRKOCHELHZNLM-HXUWFJFHSA-N 466.634 2.153 30 10 JEEE N#C[C@H]1CN(c2nnc(CCCc3ccccc3)n2C[C@H](N2CCOCC2)C(F)(F)F)CCO1 1521136770 HZZKOSPIPNHXDT-PMACEKPBSA-N 478.519 2.445 30 10 JEEE C#CCN(CC#N)C(=O)c1cc(I)ccc1I 1523830883 UUIQKWJZUPCFCT-UHFFFAOYSA-N 450.017 2.495 30 10 JEEE C#CCCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1539053787 ZYCBDULDFRMEQY-QHCPKHFHSA-N 492.624 2.131 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CC1(CC)CCOCC1)[C@H]1CCS(=O)(=O)C1 1539203768 UZMKGSNNZJYFIO-IBGZPJMESA-N 479.647 2.030 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1C[C@@H](C1CC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1539229426 CQODAPVYVPBZCN-GMAHTHKFSA-N 485.654 2.441 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC2(O)CCCC2)CC1 1539462696 LHPWYIVZROQFMI-IBGZPJMESA-N 458.607 2.410 30 10 JEEE C=C(C)Cn1c(Cc2cn3ccccc3n2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1539710743 YSOTXMGFBKGFJH-MOPGFXCFSA-N 451.575 2.460 30 10 JEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 1540007251 ZUDOFHDEJRXZMK-QZTJIDSGSA-N 498.650 2.023 30 10 JEEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1540858067 GEHFNNZBDBPZLS-HXUWFJFHSA-N 486.621 2.218 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H](C)CCSC 1540871562 OIAFEJSPJBNUNE-DLBZAZTESA-N 482.651 2.467 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1540908610 JZHLHEDGXLBAOA-QAPCUYQASA-N 495.989 2.046 30 10 JEEE COc1cc(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)C[C@@H](C)C#N)ccc1Cl 1554748308 FHVUMQKQONRKJQ-KBPBESRZSA-N 454.984 2.389 30 10 JEEE COC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](N2CCCC2)C1)OC 1555260069 GMJZZHQRUXAGEB-RBBKRZOGSA-N 454.575 2.455 30 10 JEEE CS(=O)(=O)N1CCC[C@H](CN2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)C1 1559721166 FTPSLVRAQPXJJM-VQIMIIECSA-N 455.422 2.303 30 10 JEEE C#CCN(c1nnc(-c2ccc(OCCC)c(OC)c2)n1CC1(O)CCC1)[C@H]1CCS(=O)(=O)C1 1588045642 NRMUGIMMAARRKO-IBGZPJMESA-N 488.610 2.284 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1Cc1cccc(CSC)c1)[C@@H]1CCS(=O)(=O)C1 1588050885 WZBURNGKWAJFQP-LJQANCHMSA-N 468.608 2.273 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CC[C@@](C)(O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1588064360 GVNRJWZUWUDCGP-WIOPSUGQSA-N 479.606 2.188 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1nc(C(F)(F)F)cs1)[C@@H]1CCS(=O)(=O)C1 1588064568 KQPDUJJSPYKJPS-OAHLLOKOSA-N 496.540 2.414 30 10 JEEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1CC1([S@@](C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1588069355 MFNGONQXWDNLKU-AUMHUTNHSA-N 497.042 2.048 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CC(=O)Nc2c(C)cccc2C)CC1 1588930575 ZIABLWDMISSTMX-FQEVSTJZSA-N 464.570 2.003 30 10 JEEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCC(CC(=O)N(C)C)CC1 1589053281 MCLHCRKUBICACM-UHFFFAOYSA-N 458.588 2.067 30 10 JEEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1594813075 NWNTYRXIFNKFBG-GOSISDBHSA-N 479.578 2.025 30 10 JEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OCC(F)(F)F)cc1 1594962430 KSFWPKYFTBVZGF-QGZVFWFLSA-N 489.520 2.223 30 10 JEEE C=CCn1c(N2CCC(CC(=O)N3CCN(CC)CC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1595453039 KGJUSIWKXPZCJZ-VWLOTQADSA-N 474.650 2.275 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1595577412 RPBYETKQENZMKZ-YADHBBJMSA-N 482.629 2.323 30 10 JEEE CC(C)(Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1)c1ccccc1F 1597772602 FNRMTLDYVMNQAR-XMSQKQJNSA-N 494.568 2.170 30 10 JEEE CCN(C(=O)OC(C)(C)C)[C@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCNC(=O)C1 1615081930 BWJOFYSKZSBVSR-MRXNPFEDSA-N 453.547 2.398 30 10 JEEE CCN1CCN(C[C@@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@H](OC)C2)CC1 1615884662 DUVMUNMNBSTGSB-OFNKIYASSA-N 467.618 2.227 30 10 JEEE COCCN(C)CCn1c([C@@H]2CCOC2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1619880886 HLNMOQVVKQCFGL-HXUWFJFHSA-N 454.575 2.280 30 10 JEEE CC(=O)N1CCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC12CCCCC2 1624602545 PCACMIMWMXWXLP-HXUWFJFHSA-N 451.527 2.157 30 10 JEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@](C)(CO)c1cccc(C(F)(F)F)c1 1640840700 CKIYHGOXNFSIIU-DJJJIMSYSA-N 455.458 2.268 30 10 JEEE C=CCn1c(O)nnc1SCC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1C 1652723021 ATRUIARDSWTFFW-UHFFFAOYSA-N 451.574 2.384 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)(C)C)n2CCCN2CCC(O)CC2)c1 1689868281 BLYMCBJLUXSQGD-UHFFFAOYSA-N 452.603 2.479 30 10 JEEE C#CCCCn1c(N2CCN(c3nccnc3C#N)C[C@@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 1689941141 KSGCHYLQFGSOMT-YADARESESA-N 464.574 2.109 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1689996879 QDTPVFHPZFHGKD-CTNGQTDRSA-N 458.584 2.361 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cc(OC)c(OC)c(OC)c1 1690000247 WWVQZNPRGJNKER-UHFFFAOYSA-N 460.494 2.072 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@]2(O)CCC[C@@H]2C)CC1 1690113313 GJIZJNXZOIYZES-KKSFZXQISA-N 461.408 2.352 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CCCN2C[C@H](C)O[C@H](C)C2)CC1 1690144049 KIBONSVWVJKFLP-OYRHEFFESA-N 479.629 2.114 30 10 JEEE C#CCSCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CCS(C)(=O)=O 1690173014 UBTZLLOFCSEDHF-QGZVFWFLSA-N 485.676 2.240 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1690196131 ZDXOLTXYLAEGTO-RTWAWAEBSA-N 466.510 2.088 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C#N)cc2)n1CCN/C(O)=C1/N=CC=CC1=O 1690212414 LEJVWTRSEGUNFF-KVILIRJJSA-N 471.521 2.247 30 10 JEEE C=C1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCOCCCO)CC1 1690375813 VBPRAMBUQDSRLH-GOSISDBHSA-N 451.568 2.142 30 10 JEEE C=CCCOCCn1c(C2CCCC2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1690507138 DYTBPWYPCYRRQT-FQEVSTJZSA-N 467.636 2.159 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CC=CCC1 1690565140 BBIXCJKTMWWIKH-QFIPXVFZSA-N 486.642 2.066 30 10 JEEE C=CCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1690630940 AFRPABSPDGWUCO-SFHVURJKSA-N 451.980 2.415 30 10 JEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1690744565 POQZGFPQKSLBTO-ZWKOTPCHSA-N 465.649 2.149 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1690994962 AJMGFPQDJRVFCW-IRXDYDNUSA-N 468.587 2.213 30 10 JEEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN(C)[C@H](C)CC)C1 1695945217 CXUJAZGTTFSTJQ-XLIONFOSSA-N 459.620 2.065 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1705477798 SAUAWFHKGJYCLT-AVYPCKFXSA-N 452.964 2.079 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1Cc1cccnc1OC)[C@H]1CCS(=O)(=O)C1 1705561013 MSZYCACFQAOJGJ-IBGZPJMESA-N 497.577 2.041 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCO[C@H]1C(C)C)[C@@H]1CCS(=O)(=O)C1 1705567559 YSFVEMFAZWSDSL-ZVDOUQERSA-N 457.600 2.336 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H]1CN(CC(C)C)CCO1 1705580909 SLIKJUQYJDVMRK-NRFANRHFSA-N 487.608 2.105 30 10 JEEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1-n1nc(C)cc1C 1705604942 XCQXBQMCMPZEDU-SFHVURJKSA-N 455.588 2.199 30 10 JEEE C#CCN(CCOC)c1nnc(COc2ccc(Br)cc2)n1C[C@@]1(C)CN(C)C1=O 1705630270 MHVDSZHVTIDDNF-OAQYLSRUSA-N 476.375 2.184 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCc2ccccc2OC)CC1 1705642341 PZGFYHSWTLHDJK-UHFFFAOYSA-N 464.595 2.276 30 10 JEEE C=C(C)Cn1c(N2CCN(CC(=O)N3CCCCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1705728340 GUZYHHYNKPYVDO-XMMPIXPASA-N 460.623 2.029 30 10 JEEE C=CCCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1705801108 SZRTUVVULNZHPW-UHFFFAOYSA-N 485.980 2.299 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1705930898 YFBFWUCINSIKAQ-OAHLLOKOSA-N 451.553 2.339 30 10 JEEE CCCOc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@]2(O)CCO[C@@H]2C)cc1OC 1709859595 HMULLGWWGPGRLS-UQNRQAKVSA-N 457.531 2.011 30 10 JEEE COC[C@@H]1CCCCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)C1 1712234033 DBNBZWILADLXNW-LJQANCHMSA-N 458.588 2.105 30 10 JEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1722346186 OQTSTACNDRXWMR-KDURUIRLSA-N 488.658 2.153 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1722359508 NRUPNHAIMXLUJV-HXUWFJFHSA-N 458.584 2.397 30 10 JEEE C#CCN(c1nnc(-c2ccccc2)n1CCN(C)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1722360591 AYSQEDYWBUWIKW-IBGZPJMESA-N 473.599 2.439 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)N2CCCC2)CC1 1722493347 HHKDKOFKFASRNB-VQTJNVASSA-N 458.607 2.236 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1722584564 UBBTVEWRFLSBFG-HXUWFJFHSA-N 495.738 2.485 30 10 JEEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCN(CC(=O)Nc2c(C)cccc2C)CC1 1722690734 MIHXBISTVHMPDP-UHFFFAOYSA-N 453.591 2.081 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCN3C(=O)OC[C@]3(C)C2)cc1 1722701998 CKSVOEYIXKGGBJ-QHCPKHFHSA-N 454.531 2.060 30 10 JEEE C=CCOc1ccc(Cn2c(-c3noc4c3COCC4)nnc2N(C)[C@H](C)CS(C)(=O)=O)cc1 1722705559 FELUMQJGXAAUAJ-MRXNPFEDSA-N 487.582 2.488 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(C)cc2N2CCOCC2)C1 1722708908 FZSDYAGZZYPVES-OAQYLSRUSA-N 468.602 2.391 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCCN(C(=O)c2ccsc2)CC1 1722729187 XUOZOZPBBKTFQD-UHFFFAOYSA-N 465.645 2.491 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCc3cc(F)ccc3C2)nnc1[C@]1(OCC)CCOC1 1722731538 NCKHKECHYIJORL-QFIPXVFZSA-N 464.563 2.233 30 10 JEEE CCC(CC)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1)N(C)C 1727157742 ACTGYCBADFOMQJ-QFIPXVFZSA-N 467.618 2.478 30 10 JEEE C#CCCCn1c(N2CCCN(Cc3noc(C)n3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1740596368 CLEXFGOLNXWAEK-QHCPKHFHSA-N 457.579 2.136 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1CC1CCN(CC(F)(F)F)CC1)[C@H]1CCS(=O)(=O)C1 1740615963 OWDUQOWKOWNPJP-KRWDZBQOSA-N 475.581 2.477 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCNC(=O)c1cccs1)[C@H]1CCS(=O)(=O)C1 1740619605 PPLKDQRZSDUJPO-SFHVURJKSA-N 499.618 2.072 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1ccc(NC(=O)N(C)C)cc1)[C@H]1CCS(=O)(=O)C1 1740620624 FSMGIEFAKLUNTQ-NRFANRHFSA-N 493.593 2.109 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1CCC(=O)N1CCCCCC1)[C@H]1CCS(=O)(=O)C1 1740626222 KKDLIJRBOSLZBN-IBGZPJMESA-N 463.648 2.286 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2Cc2cc(C)nc(N3CCCC3)c2)CC1 1740689584 BLTTTYFTJYGIAF-NRFANRHFSA-N 467.618 2.109 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CC(=O)N(CCOC)C1 1740772821 PIKBRFCJYCZXAC-SFHVURJKSA-N 479.585 2.089 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCCS1(=O)=O 1740935201 FEYWJCFHZPMLHF-NHCUHLMSSA-N 492.667 2.383 30 10 JEEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1740943186 VOOKZNZCJOYQQS-UWJYYQICSA-N 486.020 2.036 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1740954205 FXWSWLRIEUGHSZ-VFNWGFHPSA-N 476.375 2.394 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H]2CCCN2C[C@H]1C 1740965356 OEFPZPLSQXYEMI-QRVBRYPASA-N 473.622 2.325 30 10 JEEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1741003118 OWYKHKWHDQSART-CEWLAPEOSA-N 462.664 2.080 30 10 JEEE CC(C)C(=O)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCn2ccnn2)CC1 1741269100 HXIDZMICKGRYSS-UHFFFAOYSA-N 477.573 2.105 30 10 JEEE Cc1cc(C)n(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2CC(C)(C)N2C[C@H](C)O[C@H](C)C2)n1 1742699005 CJWSGHNIGJMENQ-SELNLUPBSA-N 458.586 2.470 30 10 JEEE CN(Cc1ccc(C#N)cc1)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCCS(=O)(=O)C1 1747704152 CQCURRLBDHDSEL-LJQANCHMSA-N 479.566 2.258 30 10 JEEE C#CCN(c1nnc(-c2ccc(Br)cc2)n1CC[S@](=O)CC)[C@@H]1CCS(=O)(=O)C1 1748809466 TYQZDCGTMAGQKH-JYRCXFKTSA-N 499.456 2.103 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CC[C@H](C)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1748818792 GLLOOHKKDBLQEW-RBBKRZOGSA-N 470.643 2.155 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CC[C@H](C)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 1748818793 GLLOOHKKDBLQEW-UNMCSNQZSA-N 470.643 2.155 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCNC(=O)c1ccco1 1748858689 HMZGYVFAFKCZIK-HDICACEKSA-N 466.542 2.145 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnn(C)c2)n1CCN1CCN(C)C(C)(C)C1 1748944356 URURNIAFZHFVLA-UHFFFAOYSA-N 464.593 2.484 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccc(C(N)=O)cc1 1748950718 NMSYMNOSSLTMFO-UHFFFAOYSA-N 457.332 2.269 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(CC(C)(C)C)n2C[C@H]2NC(=O)CC2(C)C)n1 1748971604 WOOHMOGVPORHDP-LJQANCHMSA-N 455.607 2.264 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CCN2CCOC[C@H]2C)CC1 1748984679 PKDWHXBZDYGGMY-OAQYLSRUSA-N 482.629 2.217 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2c(Cl)cccc2OC)CC1 1749001068 GJVUALCSPUNYRO-UHFFFAOYSA-N 484.988 2.190 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2CCC(=O)NC)CC1 1749015294 BVCBERSGFCHLLM-UHFFFAOYSA-N 480.613 2.391 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](OCC2CC2)C1 1749119470 SJPPWPKMNUREMJ-RNQOJCNYSA-N 467.636 2.265 30 10 JEEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1749199422 QFRBQEINWZONIN-FQEVSTJZSA-N 487.674 2.077 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1749657696 BCQCLMMSTRFWBJ-PBHICJAKSA-N 464.364 2.250 30 10 JEEE C=CCOc1ccccc1Cn1c(N2CC(=O)N(C)[C@@H](C)C2)nnc1[C@]1(OCC)CCOC1 1749689888 OCYBZOMIZKJWAD-UUOWRZLLSA-N 455.559 2.210 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCCNc1ccccn1)[C@@H]1CCS(=O)(=O)C1 1760182621 HFYQOJZQZRCKHH-OAQYLSRUSA-N 475.578 2.341 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@]1(O)CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1760193423 ZJGXJUQAOQDJOC-YZZKKUAISA-N 476.574 2.174 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCCO2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1760218381 FOANHQJXUREANT-HKBOAZHASA-N 459.616 2.187 30 10 JEEE C#CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(C(C)C)CC1 1760282273 YXNAAJQMIGEGPF-UHFFFAOYSA-N 454.648 2.349 30 10 JEEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1760284856 UAAHQADYJYEDCI-UHFFFAOYSA-N 494.625 2.048 30 10 JEEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCC[C@H](CN2CCOCC2)C1 1760301838 LUIZYROLWCPQRX-QZTJIDSGSA-N 472.428 2.459 30 10 JEEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1c(C)nn(C)c1C 1760306150 CPLFOJIBHFWDSU-AWEZNQCLSA-N 457.398 2.076 30 10 JEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(O)(c2c(F)cccc2F)CC1 1760526053 BPFITKXTANYNRD-UHFFFAOYSA-N 485.539 2.208 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(F)(F)C1 1760554547 GYDXQDPFNIFGOF-HNNXBMFYSA-N 491.561 2.033 30 10 JEEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN([C@H]2C[C@H]3CC[C@H]2C3)CC1 1760559788 KTPDSSBYNCZWBO-VJANTYMQSA-N 468.693 2.118 30 10 JEEE CCn1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)cn1 1766954059 DVSSXIZZGRENCA-IBGZPJMESA-N 482.614 2.189 30 10 JEEE CN(C[C@H]1CCCCO1)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1767219083 CAOSYDVMFNCFLF-WOJBJXKFSA-N 458.588 2.246 30 10 JEEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccc(O)c([N+](=O)[O-])c1 1862610557 NYGUQOOENJANKC-WYRIXSBYSA-N 456.407 2.031 30 10 JEEE C=CCOc1ccccc1[C@H]1C(C(=O)NCCOC)=C(N)Oc2c1c(C(F)(F)F)nn2C 1864322763 UGNLYIPAURWOLE-CQSZACIVSA-N 452.433 2.461 30 10 JEEE CN(C)c1ccc(NC(=O)[C@H](CO)NC(=O)C2CCN([C@@H](C#N)c3cccs3)CC2)cc1 1866866128 DXJXYTBJBDUGHZ-PMACEKPBSA-N 455.584 2.207 30 10 JEEE CC[C@@H](NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1)C(=O)N(CCOC)CCOC 1868794268 APLMWRPIWTUBKK-MOPGFXCFSA-N 450.605 2.041 30 10 JEEE CCN(CCO)Cc1cc(=O)c(OCC(=O)Nc2sc3c(c2C#N)CCC3)cn1CCCOC 1870324050 RYAJUHREZAYCKK-UHFFFAOYSA-N 488.610 2.138 30 10 JEEE C=CCN=c1nc(N2CCN(c3ccccc3OC)CC2)[nH]c(=Nc2ccc3nc[nH]c3c2)[nH]1 1871626639 ZHLOJDMHZFCQBV-UHFFFAOYSA-N 457.542 2.268 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)COc2nonc2CC(=O)NCc2ccccc2C)nc1C 1872649406 XPUDCQUQFWJFQD-UHFFFAOYSA-N 485.522 2.362 30 10 JEEE CN(C(=O)OCc1ccccc1)C1CN(C(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2247856671 MASZCKONQUZSCW-UHFFFAOYSA-N 451.332 2.474 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CO)CNC(=O)c1cccc(Cl)c1B1OC(C)(C)C(C)(C)O1 2256090972 DVUWVTHCJVSJRN-CYBMUJFWSA-N 454.760 2.255 30 10 JEEE CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)Nc1nc(B2OC(C)(C)C(C)(C)O2)ccc1Cl 2256671906 ZJTZDJDHLQJNAV-CYBMUJFWSA-N 455.748 2.248 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NC[C@@H](C)[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)C1 2266487400 ZFOXEPYKOKUOFM-UGVDDJRBSA-N 465.591 2.417 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NC[C@@H](C)N2CCN(C(=O)OC(C)(C)C)CC2)C1 2266525236 VPXZKUALPDTRCI-MDPMHESRSA-N 464.607 2.351 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC(F)(F)CNC(=O)OC(C)(C)C)n1 2267148104 WJJWJQYDKZKMPH-UHFFFAOYSA-N 458.315 2.092 30 10 JEEE C#CCC[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 2271606538 GZQQTQYKAQVPDI-SYJLOODJSA-N 465.547 2.358 30 10 JEEE Cc1cnc(C(=O)N2C[C@@H](NC(=O)C(F)(F)F)CC[C@@H]2C)c(B2OC(C)(C)C(C)(C)O2)c1 2281951662 MDEPQOVMTZBXCZ-KBPBESRZSA-N 455.286 2.361 30 10 JEEE CC(C)(C)OC(=O)NCC1CC([S@@](C)(=O)=NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2281979910 RAUTVTQFOVNFAQ-TUICBCIOSA-N 482.412 2.250 30 10 JEEE Cc1c(C(=O)N2C[C@@H](F)C[C@@H]2CNC(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282562225 YCFIMNMEPKFQRN-LSDHHAIUSA-N 466.363 2.105 30 10 JEEE Cn1ncc(C(=O)NCC2CC3(CCN3C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2282573160 WETKYIXURZGOGA-UHFFFAOYSA-N 460.384 2.239 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CCCN(Cc2ccccc2)CCC1 2282849501 CADPBOHCCSYEQK-UHFFFAOYSA-N 474.436 2.006 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@H]2C[C@H]1C[C@H]2NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2283071149 BFVLIUKQFZEVAL-QXSJWSMHSA-N 458.368 2.197 30 10 JEEE CC1(C)OB(c2cnc(C(=O)N[C@@H](COCc3ccccc3)CC(=O)O)c(F)c2)OC1(C)C 2284338156 OOYPGCLLYRXRFX-QGZVFWFLSA-N 458.295 2.310 30 10 JEEE Cc1nnc(SCC(=O)NC2CCCCC2)n(N=Cc2cn(CC(=O)O)c3ccccc23)c1=O 2321653491 HMJWAUHDSUBFDX-UHFFFAOYSA-N 482.566 2.409 30 10 JEEE COc1cc(C=NNc2cnn([C@H]3CCS(=O)(=O)C3)c(=O)c2Br)cc(Cl)c1O 2322660043 YZDUBADVYMPMPT-JTQLQIEISA-N 491.751 2.179 30 10 JEEE CC(=O)NCc1nnc(SCC(=O)N[C@H](C)c2ccccc2)n1N=Cc1cccc(O)c1 2330794326 WZRKFMWNIPGPHF-OAHLLOKOSA-N 452.540 2.472 30 10 JEEE Cn1nc(C(=O)NC[C@H]2[C@@H]3C[C@@H]3CN2C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2359277944 ITXSFZCELJRCAM-MCIONIFRSA-N 480.802 2.358 30 10 JEEE CC(C)(C)OC(=O)N1Cc2nncn2C[C@@H]1C(=O)N1CC[C@@](C)(B2OC(C)(C)C(C)(C)O2)C1 2368335619 JKJONMKPRNWTRL-IVZQSRNASA-N 461.372 2.482 30 10 JEEE COc1ccc([C@@H]2c3c(nc(N4CCC[C@H](C)C4)[nH]c3=O)NC(=O)[C@@H]2C#N)c(OC)c1OC 72444972 LHNWXQIISATPOI-BJJXKVORSA-N 453.499 2.256 30 10 JEEE O=C(O)CN1C(=O)/C(=C2/SC(=S)N(N=Cc3cc([N+](=O)[O-])ccc3O)C2=O)c2ccccc21 254875764 IRLQCQHMGXKKFO-RMQZLEGDSA-N 484.471 2.337 30 10 JEEE N#Cc1c(CCCNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)nn(-c2ccccc2)c1N 501661679 CLOOPWYUCARRMT-IBGZPJMESA-N 484.607 2.290 30 10 JEEE CC(C)C(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccc2c(c1)OCCO2 729669542 QFZKWBMZNRLUJE-UHFFFAOYSA-N 472.526 2.046 30 10 JEEE C[C@H](OC(=O)CNS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H](C)c1cc2ccccc2o1 853721653 HXNYZKUCZOBQQJ-CABCVRRESA-N 455.492 2.392 30 10 JEEE C=CCc1cccc(C=NNc2nnc(SCC(=O)NCc3ccc(OC)cc3)n2N)c1O 1084341128 QLKJVLPPDKOKBE-UHFFFAOYSA-N 467.555 2.289 30 10 JEEE C#CCn1ccc(CN(CCOC)C(=O)C2=NOC3(CCN(C(=O)OC(C)(C)C)CC3)C2)n1 1139833170 CHTAZDMPMMNJPU-UHFFFAOYSA-N 459.547 2.037 30 10 JEEE C#C[C@H]1CCCCN1CC(=O)NCCN1C(=O)S/C(=C\c2ccc(OC)c(OC)c2)C1=O 1176832414 BNRWDDGQQQRTQY-PNWWAVQQSA-N 457.552 2.344 30 10 JEEE N#Cc1cc(CN2CCOCC2)cn(CC(=O)NCC2(c3ccc(F)cc3)CCCC2)c1=O 1189391641 DWIFBYBYTPPQSF-UHFFFAOYSA-N 452.530 2.319 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCCO3)n2C[C@@H]2CCCN2CCCO)c1 1286311565 NSTGFQWZAODEQX-XZOQPEGZSA-N 480.613 2.423 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CCO[C@@H]1CCCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1286384836 UANKYQFZRLQCTN-CTVDGRRTSA-N 494.658 2.152 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 1286398731 NTCHZNFOYUOCLG-UHFFFAOYSA-N 452.559 2.154 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC1=CCc2ccc(OC)cc21 1286448192 RCMBHWKLLWSHDJ-JOCHJYFZSA-N 485.610 2.109 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccc(NC(=O)N(C)C)cc2)CC1 1286470215 VDNPKCSCBHIKKR-UHFFFAOYSA-N 480.617 2.094 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(F)ccc3Br)n2CCN2CCOC[C@H]2C)CC1 1286473900 USVMTWNVCLLQFW-QGZVFWFLSA-N 491.409 2.323 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3noc4c3COCC4)n2CC(CC)(CC)OC)CC1 1286489782 BSPWCJUJVCIURJ-UHFFFAOYSA-N 470.574 2.177 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@@](C)(O)c2ccsc2)CC1 1286490380 SOCGXVCCTGYZBZ-HSZRJFAPSA-N 450.568 2.275 30 10 JEEE C=C(Cl)Cn1c(N2CCN(C[C@@H]3CN(C(C)C)CCO3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1286635157 KWOXPTMBYVAGDL-QPPBQGQZSA-N 497.084 2.302 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1NC(=O)CC1(C)C 1286741241 FALRVJMHDXGAGH-PMACEKPBSA-N 482.610 2.159 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCN(CC(C)C)CC1 1286786959 NCVZDTGBAXPPKL-UHFFFAOYSA-N 492.628 2.316 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1286795545 CGNFSNCLTSJQAO-GOSISDBHSA-N 461.588 2.043 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cn2ccc3ccccc32)nnc1N(C)Cc1cnn(C)c1 1286821832 BTBFNLIFMMAMIP-UHFFFAOYSA-N 453.572 2.252 30 10 JEEE CCCC(=O)N[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N(C)C)C1 1293759624 FPGOCGXXEITROC-IBGZPJMESA-N 467.574 2.092 30 10 JEEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1300386889 VXUREUKRLZFNAX-JXFKEZNVSA-N 488.434 2.438 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ccc(NC(=O)CCC)cc1)[C@@H]1CCS(=O)(=O)C1 1300490635 AEQAFJXOIHKQOF-HXUWFJFHSA-N 493.593 2.149 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H](c1ccc(CC)cc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1300496081 NVRSGCQYQMXIMM-DNVJHFABSA-N 485.654 2.274 30 10 JEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@](C)(O)c1ccccc1 1300527436 ISCIOSRVOALROK-DEOSSOPVSA-N 462.579 2.219 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2Cc2csc(COC)n2)CC1 1300710122 SRTXMEBHZYLHAQ-UHFFFAOYSA-N 468.583 2.272 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H]2CCN(CCC)C2)CC1 1300729147 OFXVWZFHSMUFRP-IBGZPJMESA-N 469.659 2.332 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)C[C@H]1CCCO[C@@H]1c1ccccc1 1301499109 XKRPSJZUANVSLL-XQBPLPMBSA-N 452.559 2.136 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2nc(C(C)C)cs2)C1 1301557073 MHIAPJSCKUHJIE-FUHWJXTLSA-N 496.659 2.021 30 10 JEEE O=C(Cn1c(COc2ccccc2F)nnc1N1CCN(CC(F)(F)F)CC1)NCC(F)(F)F 1303078245 GKIDGYYXJYPXGB-UHFFFAOYSA-N 498.403 2.359 30 10 JEEE CCOC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCO[C@H]2C)C1 1314030488 DCAQPPPDFKNMCC-QUZZAMIASA-N 454.531 2.072 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1CCCN1CCCO 1358870151 GUWRGCQBCDPJSY-YLJYHZDGSA-N 458.994 2.166 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1358890976 XYHAKGVXKSAVHC-LTIDMASMSA-N 477.553 2.438 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1conc1COC 1358895897 SUXSBXZDOKLZLA-HXUWFJFHSA-N 463.586 2.283 30 10 JEEE C#CCN(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@H]1CCCN1S(C)(=O)=O 1358941316 FGJNXMGDJXFJMR-CQSZACIVSA-N 470.368 2.340 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@](C)(O)[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1358959205 DNROUDUQIBKNPK-PDOGEWKWSA-N 490.626 2.386 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1Cc1ccc(OC)nc1OC)[C@H]1CCS(=O)(=O)C1 1358959909 RXDSAUGJDWWCGN-SFHVURJKSA-N 497.577 2.041 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1CCCN1CCCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1358961213 UJCNFQDTHNOTGW-WOJBJXKFSA-N 458.632 2.175 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cn(C)c3ccccc23)n1C[C@@H]1CCCCS1(=O)=O 1359022680 JCKLASZLVGZVLG-SFHVURJKSA-N 455.584 2.490 30 10 JEEE C#CCN(CCOC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1Cc1nncn1CC 1359024908 YKYUGPCCVUOTFX-UHFFFAOYSA-N 472.594 2.138 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC(C)(C)N2CCC[C@@H](C)C2)CC1 1359040387 SBARQHNDYOTVNC-FSSWDIPSSA-N 458.651 2.268 30 10 JEEE C=C(C)Cn1c(COc2ccc(OC)cc2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1359124671 XTHLURVZXNUQMQ-AUSIDOKSSA-N 468.602 2.431 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccoc1 1359275370 SDOJMPZMVKURCR-OAQYLSRUSA-N 471.583 2.487 30 10 JEEE C=CCN(CCOC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@H]1CCS(=O)(=O)C1 1359280372 OORAIVTXGGUCIL-SFHVURJKSA-N 456.572 2.204 30 10 JEEE C#Cc1cncc(C(=O)N2CCCN(S(=O)(=O)c3ccc(Br)s3)CC2)c1 1466272376 WUVNCJQRCYCVAO-UHFFFAOYSA-N 454.371 2.424 30 10 JEEE CCN1CCN(C[C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N(CC)[C@H]2CCS(=O)(=O)C2)CC1 1502340406 FWYJIOIHZCJGEF-REWPJTCUSA-N 499.685 2.104 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C(=O)N(CC)CC)cc1 1507538609 NYSIKNXRQXOVOO-PXNSSMCTSA-N 457.600 2.168 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2CC2([S@@](C)=O)CC2)c1 1507552132 LPHQMEXLZFFNTR-MGBGTMOVSA-N 462.579 2.231 30 10 JEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(C(=O)NCCC)CC1 1507576611 MTJKGZFUKLEESG-UHFFFAOYSA-N 486.642 2.351 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1cc(F)ccc1OC)[C@H]1CCS(=O)(=O)C1 1507634102 IYQLRLAUFWANNS-FQEVSTJZSA-N 469.542 2.087 30 10 JEEE C#CCN(c1nnc(COCC)n1C[C@@H]1CCN(c2ccccc2F)C1)[C@@H]1CCS(=O)(=O)C1 1507639128 VYSMHZZNYZEWCL-RTBURBONSA-N 475.590 2.107 30 10 JEEE C#CCN(CC#CC)c1nnc(COc2ccc(Br)cc2)n1C[C@H]1CCC(=O)N1 1507672899 LXCQALRCNJWRJY-QGZVFWFLSA-N 456.344 2.361 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@H](C2CC2)N(C)C)CC1 1507733069 OAIDWNJILLYYTK-LEWJYISDSA-N 471.650 2.446 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCO[C@@H]2C(C)C)CC1 1507739952 HEHQUTZSUBBBJZ-SIKLNZKXSA-N 498.653 2.297 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H]2CCC[C@H](O)C2)CC1 1507740369 RNJKIUIHXJQCOW-PXNSSMCTSA-N 456.616 2.151 30 10 JEEE C#CCSCCn1c(N2CCO[C@H](CNC(C)=O)C2)nnc1C1(c2ccccc2)CCC1 1507757736 BMWWEKGWCRCHLJ-OAQYLSRUSA-N 453.612 2.456 30 10 JEEE C=C(C)COCCn1c(-c2ccccc2OC)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1507839593 HEQCTYLSOMMHLI-NRFANRHFSA-N 455.559 2.374 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 1507868673 NGIXKZGQTCXHTO-NVXWUHKLSA-N 458.028 2.310 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCn1ccnc1C 1508003230 VDWBSQMDOFCLQU-OAQYLSRUSA-N 485.614 2.009 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(Cc1cccc(F)c1)C(C)C 1508145927 QZRWBGJZOZVIEF-SFHVURJKSA-N 484.619 2.335 30 10 JEEE CC(C)c1nc(CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@@H](C)C#N)cs1 1508423245 FWPVOSMUCSWYEN-DOTOQJQBSA-N 481.648 2.029 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2CCc2nnc(C)s2)c1 1539040555 WKTUDSMHOUNZAK-UHFFFAOYSA-N 459.539 2.194 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1cccc(S(=O)(=O)NC)c1 1539242617 YMOHPTLOMJVPRK-UHFFFAOYSA-N 487.383 2.065 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H](C)N1CCN(CC)CC1 1539263867 QDZOLENLQBQZFO-PKTZIBPZSA-N 497.688 2.491 30 10 JEEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCN1CCCCCC1=O 1539363161 NIPPMLSEYPVIQP-UHFFFAOYSA-N 471.631 2.490 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCS(=O)(=O)CC 1539551861 BOTVDFNTNQOYJH-XMMPIXPASA-N 482.610 2.492 30 10 JEEE C=CCN(CC=C)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@]1(O)CCS(=O)(=O)C1 1540164388 NKCDOKGGZUBHSB-QFIPXVFZSA-N 455.540 2.328 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(Cc2csc(C)n2)CC1 1540900644 CFSOLIQKXGEJMI-UHFFFAOYSA-N 473.628 2.028 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@H](C(=O)OC)C1 1540901495 FVRSQWASBLKNEV-INIZCTEOSA-N 457.556 2.417 30 10 JEEE N#Cc1ccc(N2C[C@H](C(N)=O)C3(CCN(C(=O)c4cnccn4)CC3)C2)cc1C(F)(F)F 1548377114 BZALOJHEHHTKFB-QGZVFWFLSA-N 458.444 2.211 30 10 JEEE C=CCn1c(S)nc2cc(C(=O)NCc3ccc(CN4CC[C@@H](O)C4)cc3)ccc2c1=O 1559013539 UORZXWGKFMLOAQ-LJQANCHMSA-N 450.564 2.368 30 10 JEEE C[C@@H](O)C[C@@H](CNC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)c1ccccc1 1564307482 DVQQIPVDOXVIDI-NQIIRXRSSA-N 456.568 2.129 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1ccc(C(C)(C)O)cc1)[C@@H]1CCS(=O)(=O)C1 1588055094 SCECLQZDEZWSQW-PZJWPPBQSA-N 472.611 2.075 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1CC[S@@](=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1588065488 ZVXJYQJUSLDXQB-SFNQZPIRSA-N 468.670 2.104 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1Cc1nccn1C(F)F)[C@H]1CCS(=O)(=O)C1 1588069469 OQAQTDYDTUIZQL-INIZCTEOSA-N 494.499 2.263 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(OC)ccc2Br)n1Cc1nncn1C 1588193729 KDACCMHGILUTLO-UHFFFAOYSA-N 454.332 2.356 30 10 JEEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC(=O)N(C)C[C@@H]1C 1593884786 KINAWGAISSFZJG-GJZGRUSLSA-N 454.959 2.006 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2nc(C(F)(F)F)cs2)C1 1595675031 WQMGBMHGXOBXCT-STQMWFEESA-N 494.565 2.388 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](CC)C1 1595805322 NGMJWZZLWKWSBV-MSOLQXFVSA-N 483.635 2.424 30 10 JEEE CCC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N(C)C)CCN1CCOC 1614442283 DYLNYVGXILQIDH-NRFANRHFSA-N 453.591 2.232 30 10 JEEE C#CCn1ccc(CN(CC)[C@H](C)C(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)n1 1617668055 KWAMVVNRLRAWGS-OAHLLOKOSA-N 451.980 2.269 30 10 JEEE C#CCCCn1c(N2CCC(C(=O)Nc3nncs3)CC2)nnc1[C@@]1(OCC)CCOC1 1689940710 AXLQKIGJHPETBT-OAQYLSRUSA-N 459.576 2.050 30 10 JEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1C[C@@H]1CCOC[C@@H]1OC)[C@@H]1CCS(=O)(=O)C1 1689982431 NCTTXSRKZWPXBS-SXLOBPIMSA-N 479.002 2.277 30 10 JEEE C#CCN(c1nnc(-c2nnc(O)c3ccccc23)n1CCOCCC(C)C)[C@@H]1CCS(=O)(=O)C1 1689987951 GINPLDYJTVZWFX-GOSISDBHSA-N 498.609 2.283 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CCc1cccc(C(=O)N(C)C)c1 1690044013 WAWYYYSHRGTILU-UHFFFAOYSA-N 472.549 2.413 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)c2ccc(OC)c(OC)c2)CC1 1690109494 TZCQZLVUEFZFST-UHFFFAOYSA-N 480.613 2.264 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ncnn2C(C)(C)C)CC1 1690140042 JXASXQWYGDGMQF-UHFFFAOYSA-N 471.569 2.177 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2CC[C@H]2CCO[C@H](C)C2)CC1 1690152734 WIUJINDQDMCVKT-MOPGFXCFSA-N 498.653 2.441 30 10 JEEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1CCC(C)CC1 1690312980 IBYSZBPFGRFTQY-CTWPCTMYSA-N 455.625 2.219 30 10 JEEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)Cc2ccccc2C)CC1 1690506358 LNCWIDFRZKXQLJ-UHFFFAOYSA-N 463.586 2.471 30 10 JEEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CN(C)C(=O)OC(C)(C)C)CC1 1690643824 XRMGTXARXZRRIV-KRWDZBQOSA-N 453.609 2.450 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCC(S(C)(=O)=O)CC2)nnc1C1(c2ccccc2)CCC1 1690731190 CCZWSXSNHDECQA-UHFFFAOYSA-N 492.667 2.362 30 10 JEEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(F)c1 1690746915 NOHQMMFBVAMTFS-GOSISDBHSA-N 469.608 2.306 30 10 JEEE C#CCN(c1nnc(COCC)n1C[C@@H](c1c(F)cccc1F)N(C)C)[C@@H]1CCS(=O)(=O)C1 1705568493 OPDSWOMBJZTSGZ-APWZRJJASA-N 481.569 2.022 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1C[C@@](O)(c1ccccc1)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1705569479 HOAFAZOGFHLZSY-WIYYLYMNSA-N 482.528 2.307 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CC(C)(C)c1ccccn1)[C@H]1CCS(=O)(=O)C1 1705570789 QWOFVFGNTLDSSY-FQEVSTJZSA-N 464.595 2.263 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2CC2(C(N)=O)CCCC2)CC1 1705650309 PANXXXGYAVATCI-UHFFFAOYSA-N 484.551 2.159 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CCC(CNC(C)=O)CC1 1705895740 QNYHSIUMBKBJPT-UHFFFAOYSA-N 475.391 2.362 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CCN(c2ccnc(C)n2)CC1 1705908252 LZGUXYWNFJFGRS-UHFFFAOYSA-N 476.585 2.147 30 10 JEEE COCC1(Cn2c(C(=O)NC(C)C)nnc2N2CCN(Cc3ccc(C#N)cc3)CC2)CCC1 1712196303 GEEAHQMZBMXHBT-UHFFFAOYSA-N 465.602 2.427 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@@](C)(O)c1ccsc1)[C@@H]1CCS(=O)(=O)C1 1722358719 FCIAKROKJHWQON-DYESRHJHSA-N 460.581 2.442 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@@H]1CN(CC(C)C)CCO1)[C@H]1CCS(=O)(=O)C1 1722361961 LBNJYJQIAOJPLF-VXKWHMMOSA-N 485.654 2.237 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCC1(COC)CCC1)[C@@H]1CCS(=O)(=O)C1 1722366648 ISHMMGJMLFVTNJ-RTBURBONSA-N 450.605 2.353 30 10 JEEE C#CCN(CC#C)c1nnc(CCCOc2ccc(Cl)cc2C)n1CC(=O)N1CCOCC1 1722385210 DNAOGPGRDWLBQR-UHFFFAOYSA-N 469.973 2.183 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2cccc(N(C)C)c2)CC1 1722430615 GWWQRXZWBWIRPU-VWLOTQADSA-N 452.603 2.188 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@@]2(C)CN(C)C2=O)CC1 1722444376 IVRTWEBTEIENST-CRICUBBOSA-N 482.560 2.001 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1(N(C)C)CCC1 1722449264 SEHPZXUYIBFPJN-UHFFFAOYSA-N 463.586 2.245 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1722450081 WPKLXWWPENQAGF-QFIPXVFZSA-N 492.624 2.124 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(c2cnn(C)c2)CC1 1722588196 MVGCFMDRUYTOTR-FQEVSTJZSA-N 491.662 2.331 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2ccc(F)cc2F)CC1 1722867374 GCEDSOWYRGZIPO-KXBFYZLASA-N 494.568 2.217 30 10 JEEE N#Cc1cccc(-c2nnc(N3CC[C@@H](C(=O)NCC(F)(F)F)C3)n2CC2(C(N)=O)CCCC2)c1 1731178559 ANESUGWUOIBBCE-QGZVFWFLSA-N 489.502 2.367 30 10 JEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccc(F)c2F)CC1 1740566231 DRZBSGOQOYGOGZ-INIZCTEOSA-N 466.558 2.297 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccccc1Br)[C@H]1CCS(=O)(=O)C1 1740621863 PKBCZKZDNVDPDF-KRWDZBQOSA-N 489.399 2.116 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1c(F)cc(F)c(F)c1F)[C@@H]1CCS(=O)(=O)C1 1740624410 GPHBJLQOHGHMPL-OAHLLOKOSA-N 493.486 2.495 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2cc(C)nc(N3CCCC3)c2)CC1 1740689588 BLTTTYFTJYGIAF-OAQYLSRUSA-N 467.618 2.109 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@](C)(O)CCC)CC1 1740702151 WXUZPHRLRJOZSR-VWLOTQADSA-N 469.586 2.479 30 10 JEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(Cc2ccc(F)cc2)CC1 1740709607 PPDIZWTZYGNREF-GOSISDBHSA-N 494.662 2.106 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 1740749606 AFMLBFXLLYMIQW-GGAORHGYSA-N 480.613 2.289 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C(=O)NCC)cc2)C1 1740971320 WAPGZUOGVUVLLZ-HXUWFJFHSA-N 452.559 2.093 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1740988647 LJEPUWCGPOCLHX-SJORKVTESA-N 451.980 2.457 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N(C)[C@H]1CCCN(Cc2ccccc2)C1 1740992698 SWOAJHOIDZUZOV-YADHBBJMSA-N 473.643 2.484 30 10 JEEE C#CCCCCn1c(N2CCC[C@H](n3ccc(C(=O)NC)n3)C2)nnc1[C@@]1(OCC)CCOC1 1748730667 POVHTOWMWJNRTP-YADARESESA-N 469.590 2.131 30 10 JEEE C#CCCCn1c(COc2ccc(F)cc2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1748761372 VWLVLLFBMJINHJ-SFHVURJKSA-N 454.550 2.199 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(C)cc1C)[C@H]1CCS(=O)(=O)C1 1748803380 YBMIMFASICKGAC-FQEVSTJZSA-N 478.578 2.217 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@@](C)(O)c1ccco1)[C@@H]1CCS(=O)(=O)C1 1748808730 GRFJQRRSXBPLDG-UZUQRXQVSA-N 470.551 2.081 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@H](C(CC)CC)N(C)C)[C@@H]1CCS(=O)(=O)C1 1748812127 QNLFNUZVGNNPJN-TZIWHRDSSA-N 460.648 2.277 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1Cc1ccc(N2CCCC2)nc1)[C@H]1CCS(=O)(=O)C1 1748817580 MTFCYINHNABBDV-FQEVSTJZSA-N 456.616 2.147 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1CC1(C(=O)NCC)CCC1)[C@H]1CCS(=O)(=O)C1 1748819132 LHGALNUIKMLMPD-NRFANRHFSA-N 483.638 2.110 30 10 JEEE C=C(C)COCCn1c(-c2cccc3cccnc23)nnc1N1CCN(C(=O)COC)CC1 1749219968 YTXHMLIGTHZGFH-UHFFFAOYSA-N 450.543 2.381 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@H]2c2nncn2C)cc1 1749683176 LFBAZJJAWHFSQA-IBGZPJMESA-N 450.547 2.499 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCC[C@H](N2CCCC2=O)C1 1749729439 JNYNWPFZXOLPGO-IBGZPJMESA-N 457.600 2.446 30 10 JEEE CC(C)N(C)C(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1750873108 DLWDFHJNVIUSNP-CJAUYULYSA-N 466.586 2.440 30 10 JEEE CC(C)OC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)CC1 1751033171 GBJBCXVYWHVOPM-UHFFFAOYSA-N 458.588 2.246 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CCc1cn[nH]c1)[C@@H]1CCS(=O)(=O)C1 1760183993 SIDIYFMWDMCCRT-HXUWFJFHSA-N 498.609 2.333 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1C[C@@H](C)COC)[C@H]1CCS(=O)(=O)C1 1760191092 AHDJUFVSMPPLEP-XLIONFOSSA-N 460.600 2.383 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC(C)(C)N2C[C@H](C)C[C@@H](C)C2)CC1 1760257189 QRUQQXUYNGSDEV-DRLORSAXSA-N 472.678 2.442 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H](C(C)C)N2CCCC2)CC1 1760266344 WGVOGPLQZQSCHF-ATIYNZHBSA-N 486.661 2.016 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H](C2CC2)N(C)C)CC1 1760266953 BYKGFLWOZURHEV-OAQYLSRUSA-N 480.613 2.268 30 10 JEEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)CCc1cccc([N+](=O)[O-])c1 1760301383 ZKXRRHWIXNSUNA-ZDUSSCGKSA-N 487.380 2.384 30 10 JEEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCC[C@H](CN2CCOCC2)C1 1760301839 LUIZYROLWCPQRX-ZWKOTPCHSA-N 472.428 2.459 30 10 JEEE C=CCC(C)(C)Cn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1760413290 DFIDQRNMLHWCNL-UHFFFAOYSA-N 498.603 2.118 30 10 JEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1c[nH]c2cc(C)ccc12 1760464240 CNIZNNFCAUPUJX-HXUWFJFHSA-N 458.588 2.266 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1760514993 IVVAXHUFBIZODT-RHSMWYFYSA-N 463.380 2.354 30 10 JEEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1760516595 RDHRERUPMJEGMY-TUACAJSNSA-N 493.656 2.111 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1760517926 CENPGDPMLXRDBF-LJQANCHMSA-N 450.547 2.306 30 10 JEEE CN(C(=O)OC(C)(C)C)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ncn(C)n2)C1 1768420286 GIURSMXOYTXEJD-SFHVURJKSA-N 463.546 2.439 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCNC(C)=O)[C@@H]2c2ccc(O)c([N+](=O)[O-])c2)cc1OC 1862577941 BCBXNTHVLYPNOR-HXUWFJFHSA-N 485.449 2.032 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccccc2C(=O)O)cc1 1862690946 GMEPMIQTLDIXHJ-NRFANRHFSA-N 466.490 2.304 30 10 JEEE CCC[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1)C(=O)Nc1cccc(C#N)c1 1866592217 AFQZEIGGGBSFNC-JOCHJYFZSA-N 483.594 2.032 30 10 JEEE O=C(NC[C@H]1CCCO1)[C@@H](CSCc1ccccc1)N=C1NS(=O)(=O)c2ccccc21 1869931841 JIYMYTFWAYVZOH-IEBWSBKVSA-N 459.593 2.322 30 10 JEEE CC(C)N1C(=O)CS[C@@H](C(=O)N2CCN(c3ccc(N(C)C)nn3)CC2)[C@@H]1c1ccc(C#N)cc1 1889627015 HOQOOZPZOBIDFI-BJKOFHAPSA-N 493.637 2.157 30 10 JEEE COc1ccnc(N2CCN(C(=O)[C@@H]3SCC(=O)N(C(C)C)[C@@H]3c3ccc(C#N)cc3)CC2)n1 1889660697 MGVAWYVBKPOTHM-FGZHOGPDSA-N 480.594 2.099 30 10 JEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C=Cc2ccc3c(c2)OCCCO3)CC1 2042442833 FPNOJGVGQLIBJD-UHFFFAOYSA-N 453.520 2.266 30 10 JEEE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@H](CNS(=O)(=O)c2cncc(C#N)c2)C1 2140608507 ZKUXCKGPBZXMIA-HXUWFJFHSA-N 471.583 2.353 30 10 JEEE CC(C)C[C@H](CNC(=O)OC(C)(C)C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2256628610 KJNYLMOAVHDJOM-CYBMUJFWSA-N 454.402 2.385 30 10 JEEE C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CN(C(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)CCO1 2267001282 JEIINKUSDWKSSC-UKRRQHHQSA-N 467.397 2.197 30 10 JEEE C[C@H](CCN(C)C(=O)OC(C)(C)C)N(C)C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2267181470 SQPHNSFOUIVUPU-OAHLLOKOSA-N 450.389 2.437 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)[C@H](CO)C1 2267286579 PKGCREPSMZKOTN-GOEBONIOSA-N 466.409 2.395 30 10 JEEE Cc1ccc(S(=O)(=O)N(CCC(N)=O)Cc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)c1 2267352970 NMJSVOVHKDKWBP-UHFFFAOYSA-N 458.389 2.361 30 10 JEEE CN(CCOCCNC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2267369360 WEGSMDICGKNQRS-UHFFFAOYSA-N 490.453 2.209 30 10 JEEE C[C@H](NC(=O)[C@@H]1OCC[C@@H]1NC(=O)OC(C)(C)C)c1nscc1B1OC(C)(C)C(C)(C)O1 2268634155 GTTZHOKRJKVULM-DUVNUKRYSA-N 467.397 2.302 30 10 JEEE CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H]2CNC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2281932094 YGTSAHMZBQFIPM-OAHLLOKOSA-N 460.384 2.476 30 10 JEEE Cn1ncc(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 2282042894 KGAWQIULMJDWST-UXLLHSPISA-N 460.384 2.095 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H](NC(=O)OC(C)(C)C)CC(C)(C)C2)n1 2282043689 OVDHWABFBCLGTH-OAHLLOKOSA-N 462.400 2.485 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC3(CC3)C2)n1 2282045778 BOZONJUJUUMOGY-OAHLLOKOSA-N 460.384 2.239 30 10 JEEE CC(C)(C)OC(=O)NCC1(NC(=O)c2c(F)cc(B3OC(C)(C)C(C)(C)O3)cc2F)COC1 2282063559 NKWZTFQYRKYBBM-UHFFFAOYSA-N 468.306 2.288 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C[C@@H]1CO 2282175055 JALCJFLJEHMFEA-IEBWSBKVSA-N 460.380 2.334 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](F)C[C@@H](NS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282291033 XZZJHIFPQFFFTA-HZPDHXFCSA-N 485.387 2.007 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@H](CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2282396131 VPHGFDXZJBONFL-MRXNPFEDSA-N 464.343 2.491 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)CC12CC2 2282525291 PGOYKFVJVPZTPN-INIZCTEOSA-N 460.384 2.239 30 10 JEEE Cn1nc(C(=O)N[C@@]2(CF)CCN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2282552782 SFPZPMOHQDTLLL-OAQYLSRUSA-N 486.781 2.452 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H](NC(=O)C(F)(F)F)CC[C@@H]2C)n1 2282552857 NDPZUHKUQXMCMM-KBPBESRZSA-N 455.286 2.361 30 10 JEEE Cc1c(C(=O)N2C[C@@H](C)[C@H](CNC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282599005 NIAQVKSOELPLSK-GDBMZVCRSA-N 462.400 2.261 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](CNC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)OCC12CC2 2282617248 FDVQQVAHVKEDDA-CQSZACIVSA-N 479.408 2.341 30 10 JEEE C[C@H](CNC(=O)c1ccoc1B1OC(C)(C)C(C)(C)O1)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 2282627007 KIVBIVAAFWIVPQ-IQMFZBJNSA-N 464.368 2.317 30 10 JEEE Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H](O)C[C@H]1CNC(=O)OC(C)(C)C 2282650756 QQTIGSFOSOPZPO-IRXDYDNUSA-N 460.380 2.394 30 10 JEEE COC(=O)C1(NC(=O)OC(C)(C)C)CC(NC(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2282685295 CTUAVWKYCGSAIX-UHFFFAOYSA-N 480.392 2.376 30 10 JEEE C[C@H](NC(=O)CN1CC[C@@H](NC(=O)OC(C)(C)C)C1)c1nscc1B1OC(C)(C)C(C)(C)O1 2283956724 TWRGFERHIBEHDM-LSDHHAIUSA-N 480.440 2.219 30 10 JEEE C[C@@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)N1CCc2cc(B3OC(C)(C)C(C)(C)O3)ccc2C1 2283977046 LEVPAINFCYMTBO-BEFAXECRSA-N 460.380 2.145 30 10 JEEE C[C@H](NC(=O)C1CC(O)(CNC(=O)OC(C)(C)C)C1)c1nscc1B1OC(C)(C)C(C)(C)O1 2283977311 NYBUQFLMMROUJI-QSLFRCLVSA-N 481.424 2.285 30 10 JEEE CC(C=Cc1ccccc1)=NNc1nc(SCC(=O)N2CCN(CC(=O)NC(C)C)CC2)n[nH]1 2313994448 BUHYEUSZGCMLIM-UHFFFAOYSA-N 484.630 2.067 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC[C@H](NC(=O)OCc2ccccc2)C1 2315539145 SEMJDLXGZNJILQ-SFHVURJKSA-N 468.363 2.250 30 10 JEEE COC(C)(C)[C@](N)(C#N)Cn1c(C)nc(I)c1I 2318291827 YEZCTYIGFWBBDW-NSHDSACASA-N 474.084 2.047 30 10 JEEE COc1ccc(C=Nn2c(SCCO)nnc2[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1O 2325924922 FOBJAENCZQBOFO-SFHVURJKSA-N 467.551 2.475 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H](F)C[C@H]2CNC(=O)OC(C)(C)C)n1C 2362332136 LQQGGIPTXIAEBG-GJZGRUSLSA-N 466.363 2.105 30 10 JEEE COc1cc(NC(=O)CSc2nnc(N/N=C(\C)c3ccc4c(c3)OCO4)n2N)cc(OC)c1 21318342 GZBHBRQGHVQKHG-WYMPLXKRSA-N 485.526 2.305 30 10 JEEE COc1ccc(OC)c([C@H]2/C(=C(/O)c3ccco3)C(=O)C(=O)N2CCCN2CCOCC2)c1 103114352 PZYOVKDFKDVGPU-AGGMBTAESA-N 456.495 2.441 30 10 JEEE Nn1c(N/N=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)nnc1SCC(=O)Nc1c(F)cccc1F 253570838 ODOULTOAVSEEOW-QPSGOUHRSA-N 493.412 2.263 30 10 JEEE CC#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1C[C@H](O)C[C@@H]1C(=O)O 757205766 BATMYCMNSMMZIS-UZFJHSOTSA-N 462.502 2.354 30 10 JEEE CCN(C(=O)C#CCNC(=O)OCC1c2ccccc2-c2ccccc21)[C@H]1COC[C@@H]1C(=O)O 757479391 KYDQXVIEGLTFQE-GOTSBHOMSA-N 462.502 2.477 30 10 JEEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)NCC(=O)N(C)OC)c1 1162196395 IFRJCTUWXQSDPL-UHFFFAOYSA-N 451.932 2.471 30 10 JEEE CCOC(=O)Nc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1C#N 1266445927 COWCJCPNYLOKPF-UHFFFAOYSA-N 458.496 2.400 30 10 JEEE C#CCCCn1c(-c2cc(F)ccc2Br)nnc1N1CCN(CC(=O)N(C)C)CC1 1286339401 LEOUTLMDUBVOHH-UHFFFAOYSA-N 477.382 2.470 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H](C)CNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1286386769 HELBSIRDYKHBQR-SJORKVTESA-N 476.603 2.061 30 10 JEEE C#CCN(c1nnc(C2CCC2)n1Cc1ccc(OCCN(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 1286389889 SDEOISFHNHBQGP-OAQYLSRUSA-N 471.627 2.161 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1cccc(OC)c1OC)[C@@H]1CCS(=O)(=O)C1 1286395177 RCCDNTSWKJYSOO-QUCCMNQESA-N 474.583 2.212 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cccc2c1OCO2 1286408579 DMGQWMJXVDYTOR-IBGZPJMESA-N 479.537 2.436 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCN(C)CC(F)(F)F 1286410016 QQEVZTIAZKGUKC-KRWDZBQOSA-N 484.523 2.153 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2CCCNC(=O)c2occc2C)CC1 1286482467 RQMRAIIIPVPIEE-UHFFFAOYSA-N 476.581 2.354 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCN2CCOC[C@H]2C)CC1 1286492614 NNEAMQROQSFCSL-JOCHJYFZSA-N 494.640 2.160 30 10 JEEE C=C(C)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1286595028 ZWGLQUSMDUKGAV-UHFFFAOYSA-N 486.598 2.288 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cccnc2OCCOC)CC1 1286662993 DCVGQHQXIVWNHA-LJQANCHMSA-N 461.588 2.051 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CC[C@H](CO)O1 1286758979 XUGJRXTVQPLOIZ-IPMKNSEASA-N 463.579 2.305 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1286781876 CWAAHCHSOOJUOH-QWRGUYRKSA-N 468.333 2.185 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1C[C@@H](C)C[C@@H]1CC 1286818811 OXLZRBFXFCSACO-IRXDYDNUSA-N 480.660 2.464 30 10 JEEE CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1295083362 FGFYLGPYZCCQEB-WMLDXEAASA-N 466.464 2.363 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(F)cc2Br)n1CCS(=O)(=O)N(C)C 1300287312 YFQDUWBTVWHOHB-GFCCVEGCSA-N 458.357 2.196 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2C[C@H]2CN(CC(C)C)CCO2)c1 1300332423 FTIQNJXBEDDLBG-HSZRJFAPSA-N 490.612 2.092 30 10 JEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 1300338862 INJYWDISRACLPN-IAGOWNOFSA-N 468.624 2.137 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1ccc(OCC)cc1)[C@H]1CCS(=O)(=O)C1 1300486968 CMQXKFQRFPDJFV-IBGZPJMESA-N 451.552 2.414 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@H](C(CC)CC)N2CCOCC2)CC1 1300698592 VTOHUWFDCNWQOH-XZOQPEGZSA-N 458.651 2.412 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H](OC)C(C)C)CC1 1300718718 VOSVNKPZZAYWGN-FQEVSTJZSA-N 454.531 2.490 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CCCC(=O)NC 1300882498 VEGLEEVFFYEUCO-VGSWGCGISA-N 479.585 2.136 30 10 JEEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CCOC)[C@@H](C)C1 1300952575 YTPGVBUAJHCMCF-OALUTQOASA-N 464.611 2.320 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(CC(F)(F)F)CC1 1301482720 BAACVALLQDKTNU-UHFFFAOYSA-N 476.301 2.022 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCC(c2nc(C)no2)CC1 1301588186 CQKOOELIMZWYEX-KRWDZBQOSA-N 450.565 2.196 30 10 JEEE C=CCS(=O)(=O)CCn1c(N(C)C2CCC3(CC2)OCCO3)nnc1[C@]1(OC(C)C)CCOC1 1301593699 SONJRCKUFZAEKF-QFIPXVFZSA-N 498.646 2.041 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@@H](c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2cccc(C(N)=O)c2)C1 1302223217 DAJXEKYJIYRZLO-UXHICEINSA-N 495.584 2.269 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@H](c2nnc(N3CCO[C@H](C#N)C3)n2Cc2cccc(C(N)=O)c2)C1 1302223218 DAJXEKYJIYRZLO-VQTJNVASSA-N 495.584 2.269 30 10 JEEE C=CCC[C@H]1CCCN1C(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 1312979055 ZEPPTQCVSZGRQR-FQEVSTJZSA-N 450.605 2.287 30 10 JEEE CCCNC(=O)c1cccc(Cn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@@H](C#N)C2)c1 1313455568 FXILCINFYUBXHS-IBGZPJMESA-N 493.593 2.186 30 10 JEEE CCNC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2C[C@@H](C)O[C@H](C)C2)CC1 1313989007 HTPHHDQEIBJDHR-WOJBJXKFSA-N 495.628 2.190 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cccnc1OC 1358890199 MIZNPNCNBQFPCQ-WMZOPIPTSA-N 456.547 2.496 30 10 JEEE C#CCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1358916198 CZTIXXNLMODNQD-UHFFFAOYSA-N 484.564 2.353 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCc1ccccc1C)[C@@H]1CCS(=O)(=O)C1 1358966504 QLAJZGIQXVXTKN-JOCHJYFZSA-N 466.611 2.318 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1noc(CC)n1 1358994246 ILNUNZOFENLENR-GOSISDBHSA-N 483.573 2.238 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2Cc2ccc(OC)nc2)CC1 1359028478 UCDJYLOAEDJYHO-UHFFFAOYSA-N 459.554 2.354 30 10 JEEE C#CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1359060618 BKTCINBMBPLQEW-WOJBJXKFSA-N 455.584 2.480 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)OCCOC)n1Cc1cccnc1N1CCOCC1 1359064915 CPZLYTFDQQXIHG-YADARESESA-N 454.575 2.274 30 10 JEEE C=C(Br)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCS(=O)(=O)CC1 1359077586 GPSYQNZSTJOALZ-UHFFFAOYSA-N 465.171 2.179 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@@H](C(C)C)C1 1359098832 GVEUALBBPFIPKD-WCIQWLHISA-N 499.703 2.170 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(=O)N2CCCC2)n1C[C@H](C)N1CCOCC1 1359254297 LOUAIBACMUPBHA-FQEVSTJZSA-N 468.602 2.436 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC(O)(Cc2ccc(F)cc2)CC1 1359302704 QVXYRPYNLZNHJK-UHFFFAOYSA-N 464.545 2.279 30 10 JEEE C=CCOc1ccccc1Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1359310318 SKRPUFKCJWPKPU-UHFFFAOYSA-N 480.613 2.407 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccnc(N3CCCCC3)c2)C1 1359313266 JKVUWVYAHPOEQN-QUCCMNQESA-N 489.646 2.103 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1359329595 OGUWNCXFLVWXIS-IBGZPJMESA-N 489.642 2.244 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 1359330416 QVVSAACXXAFQAJ-NVXWUHKLSA-N 464.592 2.223 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 1359330726 AXELWRIGBUBOIY-MRXNPFEDSA-N 464.592 2.320 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(F)cc1Cl 1359473559 DSYPVFWKKLDKEO-KDOFPFPSSA-N 484.985 2.242 30 10 JEEE CC(C)(C)c1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1C[C@]1(O)CCS(=O)(=O)C1 1359506267 GCYLOYAHBOCYHJ-HSZRJFAPSA-N 473.599 2.045 30 10 JEEE CC(C)(C)OC(=O)NCCn1c(-c2cccnc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1359573017 GWYSAILHSWAIBQ-UHFFFAOYSA-N 475.557 2.458 30 10 JEEE C[C@H](NC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1)c1ccccc1 1360644975 FCKXJXNSRVVHHL-GSHUGGBRSA-N 477.610 2.460 30 10 JEEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1473324674 DBJQGKUVXCNKSP-QGZVFWFLSA-N 451.527 2.368 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CCNS(=O)(=O)CC 1507522711 FMVFLFDGZRPPEW-CYBMUJFWSA-N 470.393 2.113 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1cccnc1N1CCOCC1 1507543140 OCPCHWIMORMUAI-LJQANCHMSA-N 457.538 2.467 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2C[C@H](C)CN2CCOCC2)c1 1507548630 BOWUQEIOVFQCSD-HXUWFJFHSA-N 473.581 2.365 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](COCc2ccccc2)C1 1507588061 FGRODHWKIQFEDA-VXKWHMMOSA-N 487.626 2.068 30 10 JEEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1C[C@H](C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1507625542 KCHXWULOLCBZJU-ACIOBRDBSA-N 485.654 2.167 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@H]1CCN(CC)C1)[C@H]1CCS(=O)(=O)C1 1507639106 JLRXEVOEODNERH-SFTDATJTSA-N 471.627 2.134 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc(F)c(F)c1F 1507660105 MDOZZWUBJYGXKB-AWEZNQCLSA-N 453.490 2.011 30 10 JEEE C#CCSCCn1c(-c2ccc(Br)s2)nnc1N(C)CC(=O)N1CCOCC1 1507749131 UDDWGCDMNVGVFY-UHFFFAOYSA-N 484.445 2.431 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(CCOC)C(=O)C1 1507807256 LUVLYGSCNRPCRM-KRXUUXHPSA-N 475.634 2.473 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(F)ccc1F 1507820204 AWCNZQPFMZBIEW-GOSISDBHSA-N 455.531 2.340 30 10 JEEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CC)CCS(C)(=O)=O 1507830539 GIQAAFCPRRBQCV-MRXNPFEDSA-N 457.597 2.034 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCCCO2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1507844895 RUPFKFLWEZXIKN-MZYLBHOOSA-N 474.650 2.491 30 10 JEEE C=C(C)COCCn1c(N2C[C@@H]3CCC(=O)N[C@@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1507847205 DASUNCPWKHHQKW-INDMIFKZSA-N 474.606 2.356 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC(c2cnn(C)c2)CC1 1508070975 HDHPHAZECCTIQT-UHFFFAOYSA-N 497.003 2.281 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 1508083037 ZPBIWDMYAOCNPJ-UHFFFAOYSA-N 451.575 2.117 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@]2(CCOC2)C1 1508149230 RGIGHAIPVAQDEV-HMFYCAOWSA-N 452.621 2.414 30 10 JEEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCOC[C@@H]2CCOC2)[C@H](C)C1 1508235389 DZRPUMXWXXJEGO-NQIIRXRSSA-N 452.559 2.317 30 10 JEEE CCO[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC(=O)N(CCOC)C2)C1 1516405619 GPBWRJMOIYHBJW-CTNGQTDRSA-N 452.559 2.317 30 10 JEEE COCC[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1519007152 GBGJVEAESBEPGD-MOPGFXCFSA-N 459.572 2.026 30 10 JEEE C#CCOc1ccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)cc1 1526046226 MMYSCPZOXUZDOS-GOSISDBHSA-N 457.508 2.324 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CCCCS1)[C@H]1CCS(=O)(=O)C1 1539201940 CXOVEAUGVHHBQB-ROUUACIJSA-N 467.661 2.109 30 10 JEEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(C)CCC1)[C@H]1CCS(=O)(=O)C1 1539205030 FHPZVQLWUHKIOF-SFHVURJKSA-N 476.624 2.166 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1CC1(O)CC(OCC)C1)[C@H]1CCS(=O)(=O)C1 1539211694 JZMWMYYYDOGPBK-YPHUNTSASA-N 496.992 2.294 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCCCN2CCOCC2)CC1 1539429836 CVUDCXRWBOFERD-NRFANRHFSA-N 470.593 2.425 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H]1CCN(S(C)(=O)=O)C1 1539659127 KINLYKVRSAZULJ-KRWDZBQOSA-N 461.588 2.400 30 10 JEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1 1540036800 VBFSBMUCVPQORQ-JTSKRJEESA-N 464.563 2.010 30 10 JEEE C=CCN(CCOC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@]1(O)CCN(C)C1 1540200532 CCVZSEGLLDPTGP-DEOSSOPVSA-N 478.638 2.098 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](c2ccc(Cl)s2)C1 1540861675 BJIRSAPWOYPXAC-CQSZACIVSA-N 464.979 2.109 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1540873475 YVAHRZHCUZKXHW-GOSISDBHSA-N 455.563 2.012 30 10 JEEE CC[C@@H](C)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1)OC 1545282121 CEFMFZLKXJKTCJ-YLJYHZDGSA-N 460.604 2.350 30 10 JEEE CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nccn2C(F)F)CC1 1547474785 DVMIWLMJASIDRQ-UHFFFAOYSA-N 497.554 2.447 30 10 JEEE CCOc1ccc(O[C@H](C)c2nnc(N3CCO[C@H](C#N)C3)n2CCCC(=O)N(C)C)cc1 1547978217 GREUPAOKMOWHPS-YLJYHZDGSA-N 456.547 2.414 30 10 JEEE C#CCOc1cccc(NC(=O)N2CCN([C@H]3CCCN(c4cc(C)nn4C)C3=O)CC2)c1 1562370335 DZPUJGGQRHZADJ-NRFANRHFSA-N 450.543 2.086 30 10 JEEE C#CCCCn1c(-c2ccc(Br)s2)nnc1N1CCN(CCOC)C(=O)C1 1587823691 WBRQQRUHYPQLLJ-UHFFFAOYSA-N 452.378 2.478 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H](OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1588028985 BMUFYAYRPHNVIB-LEWJYISDSA-N 485.610 2.199 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCC1CC(OCC)C1)[C@@H]1CCS(=O)(=O)C1 1588055770 ZAURDEIIYFYHFE-FUFFSDJGSA-N 450.605 2.004 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1cc(COC(C)(C)C)on1)[C@@H]1CCS(=O)(=O)C1 1588075175 ZTVQNRUBBDXJSP-IEBWSBKVSA-N 477.587 2.108 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1588219175 NZTOUIZQSKDQAC-LJQANCHMSA-N 478.578 2.345 30 10 JEEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1nc(C(F)(F)F)cs1 1588266071 LIKFRESQSVNSIS-LLVKDONJSA-N 450.512 2.066 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCSCc2ccccc2)CC1 1588924007 UGYYEYBHCWYPJK-HXUWFJFHSA-N 466.611 2.128 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2CCc2nccnc2C)CC1 1588954306 DZCHTLCXILMCMU-UHFFFAOYSA-N 457.582 2.370 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C(F)F)C1 1589544471 HVAYJKNVFUMQBD-OWSLCNJRSA-N 489.589 2.074 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC=CCO1 1595133050 CCWLIBARALGESE-CTNGQTDRSA-N 491.589 2.288 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1595490414 QXPBIUUUGZPKRM-INIZCTEOSA-N 488.346 2.279 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCN(CC(F)F)CC1 1595789299 QOYNPLXKFQZXHP-UHFFFAOYSA-N 491.568 2.119 30 10 JEEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N(C)C1Cc2ccccc2C1 1595821351 BEGDXPGYOGKCCW-UHFFFAOYSA-N 485.635 2.474 30 10 JEEE C[C@@H](CN1CCOCC1)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1cccc(C#N)c1 1611618685 ATEOCVZDTNZVGK-IBGZPJMESA-N 474.569 2.402 30 10 JEEE C=CCc1ccc(OCC(=O)N2CCN(c3ccc(S(=O)(=O)NC)cc3)CC2)c(OC)c1 1625224027 LFHBGZXEJUCKCS-UHFFFAOYSA-N 459.568 2.059 30 10 JEEE CC[C@H](C#N)Oc1cc(CNC(=O)[C@H]2CCCCN2C(=O)c2ccc(O)nn2)ccc1OC 1633486053 ACHNSFWKUFDCPS-SJLPKXTDSA-N 453.499 2.183 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCNC(=O)c1cccc(OC)c1 1649539279 ZKYWWSJKENQDEL-MHECFPHRSA-N 455.559 2.215 30 10 JEEE C[C@H]1CN(CCCn2c(-c3cccc(C#N)c3)nnc2N2CCC(CC(N)=O)CC2)CCCO1 1649557401 FPALTNLIIYFRBD-IBGZPJMESA-N 465.602 2.409 30 10 JEEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1689932379 ZESRLLFLMYMWBT-UXHICEINSA-N 485.589 2.311 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H](C(C)C)N1CCOCC1 1690098528 LYWHNVFWBIZBOS-NRFANRHFSA-N 469.586 2.159 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCCC)CC1 1690145959 BSCQAQSGCSYQOS-LJQANCHMSA-N 474.606 2.352 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2C[C@H](OC)C(C)C)CC1 1690146230 ITISTNNNTDZRBF-QFIPXVFZSA-N 494.644 2.089 30 10 JEEE C=C(Br)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN2C(=O)NC[C@H]2C1 1690230104 RJAYIRHLLAASSG-LBPRGKRZSA-N 453.291 2.270 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CC[C@@H](C(N)=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1690254182 YMZRGDCWXBMIRL-QQXKLLMISA-N 474.606 2.342 30 10 JEEE C=C(C)COCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1690319511 PNCIHMZUXBQMPF-REWPJTCUSA-N 466.586 2.478 30 10 JEEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1690361191 KCEJMOQRZKJWJS-JEEBJRHZSA-N 495.068 2.381 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1690661661 CQKKRTBDMJVHSJ-KGLIPLIRSA-N 484.420 2.268 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1690676870 GYEZTYMSBGHVQM-KRWDZBQOSA-N 458.588 2.458 30 10 JEEE C=CCOc1ccc(Cn2c([C@H]3CCCOC3)nnc2N(C)CC(=O)N2CCOCC2)cc1 1690680465 SLTDVYTWADNXTQ-FQEVSTJZSA-N 455.559 2.080 30 10 JEEE CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCn2cc(Cl)cn2)CC1 1694223870 CWJLNNMKPJFRIN-SFHVURJKSA-N 496.019 2.404 30 10 JEEE CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1CC(=O)N(C)C1CCCCC1 1694789691 BXYUQHIHOCVLFS-OAQYLSRUSA-N 479.585 2.235 30 10 JEEE CO[C@@](C)(Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1)C1CC1 1697098015 FUFFCHZJNCMDSS-AOMKIAJQSA-N 458.588 2.102 30 10 JEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2ccc(F)cc2)C1 1705516568 DZWXARJCMNZCRQ-LEWJYISDSA-N 491.589 2.132 30 10 JEEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc(Cl)nc1 1705626917 NPXRUAFPTKEOJR-UHFFFAOYSA-N 473.990 2.421 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2=CCCCC2)n1 1705631738 OVYFOMAKYPJLOH-HXUWFJFHSA-N 472.615 2.163 30 10 JEEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](Cn2cccn2)C1 1705725489 DKXYETZAFLZWBL-RTBURBONSA-N 473.578 2.265 30 10 JEEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1705738671 GTNGLXKMNSCWJZ-UHFFFAOYSA-N 461.570 2.282 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC(C)(C)OC[C@@H]1C 1705894772 KKGZGPBZFMLBCQ-HNNXBMFYSA-N 460.966 2.167 30 10 JEEE C=CCNC(=O)Cn1c(N2CCN(Cc3cccc(C)c3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1705908799 HUWFMTQAHOIQHM-AREMUKBSSA-N 482.629 2.252 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1705930960 AGIITNZMHUUUAF-LJQANCHMSA-N 460.991 2.376 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1705933909 VNOIMQGPHRNIQU-NRFANRHFSA-N 492.005 2.080 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CC[C@H](C)C1 1705938424 YACSVLQVZRZSSD-NRFANRHFSA-N 472.659 2.090 30 10 JEEE C[C@H]1CN(CCCn2c(CNC(=O)c3cccs3)nnc2N(C)C[C@@H](C)C#N)CCCO1 1706076850 DGGFBVFNOJEUOO-ROUUACIJSA-N 459.620 2.366 30 10 JEEE C[C@H]1C[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)CCO1 1707983986 HJULDWBRNKXVHR-JENIJYKNSA-N 458.588 2.102 30 10 JEEE COc1ccc(OCc2nnc(N3CCC(CC#N)CC3)n2CCN2CCN(C(C)=O)CC2)cc1 1711879174 DDJSXRUCKFWULL-UHFFFAOYSA-N 481.601 2.160 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCN1CCCCC1=O 1722278674 MVEIDGXXOZNISL-KRWDZBQOSA-N 471.631 2.407 30 10 JEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2OCC)CC1 1722322941 AASWNADMKZVLQE-GOSISDBHSA-N 460.604 2.027 30 10 JEEE C#CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CC1(O)CCS(=O)(=O)CC1 1722344154 MNBASPRHXRXFHF-UHFFFAOYSA-N 471.608 2.386 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 1722371315 VGPKCTGMFUXSJV-SXLOBPIMSA-N 479.002 2.331 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2cccc(NC(C)=O)c2)CC1 1722449399 IZAWKPZKOOGZSJ-UHFFFAOYSA-N 488.596 2.112 30 10 JEEE C#CCSCCn1c(Cc2ccccc2C)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1722460261 DNXIEKIJMTUPET-XMMPIXPASA-N 466.611 2.358 30 10 JEEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1722536982 JTEBXMOYAYFNCZ-OALUTQOASA-N 465.595 2.495 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1NC(=O)CC1(C)C 1722654194 JVLIIOXMDNNKQD-UYAOXDASSA-N 487.626 2.296 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1722750217 LWMIIUXKSXUYLU-UHFFFAOYSA-N 464.592 2.077 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1CCCN1CCc2ccccc2C1 1723909058 AMHZERIUONOWFR-MSOLQXFVSA-N 459.620 2.075 30 10 JEEE Cc1ccc(C)c(OCc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H]2CCN(S(C)(=O)=O)C2)c1 1724274894 GJXWRUXRUFONPM-AVRDEDQJSA-N 476.578 2.197 30 10 JEEE CS[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1731047058 CXMWOHNDMFOQNF-QGZVFWFLSA-N 492.609 2.301 30 10 JEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(=O)N1CCCCCC1 1740610599 GMJKKFOEMCAUQL-LJQANCHMSA-N 474.606 2.449 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1CCCN1CCN(c2ccncc2)CC1 1740642191 LNVPWWWZKCQCIV-UHFFFAOYSA-N 474.638 2.314 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H](c2ccco2)N2CCCC2)CC1 1740689506 XTYPTTOUOLODOT-NRFANRHFSA-N 467.618 2.382 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CCN(C)C2CCCC2)CC1 1740706950 JLTSVQNMQFPWJP-UHFFFAOYSA-N 469.659 2.474 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1scnc1C 1740774163 NENVAWLAGLHRGD-INIZCTEOSA-N 454.622 2.021 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@](C)(CC)C1 1740951210 DAVYFWURAIGHTO-JOCHJYFZSA-N 460.966 2.169 30 10 JEEE C=CCNC(=O)Cn1c(N2CCN(c3ccc(F)cc3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1740964632 FWKZRENDJCRFRH-XMMPIXPASA-N 472.565 2.087 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@@H](C)[C@H](C)C1 1740988715 NLZFPRPFFFRYCV-IAGOWNOFSA-N 456.576 2.004 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](Cc2ccccc2)C1 1740993673 BVCOXZRIHDOVEU-QFIPXVFZSA-N 484.626 2.188 30 10 JEEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1740997279 WVAMVJHWSBJIPU-JKSUJKDBSA-N 488.680 2.253 30 10 JEEE CCCCN1CCCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1 1745488781 GFJVJRHVCDHYPZ-MJGOQNOKSA-N 451.641 2.283 30 10 JEEE CCN(C1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cc(C)nn2C)CC1)S(C)(=O)=O 1746004568 HCVUCHQXNQCYSK-UHFFFAOYSA-N 482.614 2.157 30 10 JEEE C#CCCCCn1c(CCc2ccccc2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1748725339 ZYRHAJYNWZCQQN-HSZRJFAPSA-N 485.654 2.498 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(N(C)C)cc2C)CC1 1749011033 YKDSXHUQHRVJAX-OAQYLSRUSA-N 450.587 2.171 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCN1CCOC[C@H]1C 1749146555 HQJUAYILEMVUQP-LJQANCHMSA-N 476.647 2.319 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2c(c1)[C@@H](C)[C@@H](C)O2 1749487038 AKEOPNCAMQBRLQ-YRNRMSPPSA-N 461.588 2.166 30 10 JEEE C=CCN(CCOC)c1nnc(-c2ccccc2Br)n1C[C@]1(O)CCN(C)C1 1749595667 DNGQCCSZARSIAD-FQEVSTJZSA-N 450.381 2.413 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1749661084 XQLNKSFORUEJLG-PKOBYXMFSA-N 454.575 2.328 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1749725142 QTNPXXKUKFLQSX-FDDCHVKYSA-N 471.583 2.192 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CCC(=O)N[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1760186006 ITLJNWDVXFMIOC-DLBZAZTESA-N 493.580 2.079 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1cccc(OC)c1)N1CCCC1 1760234040 RYFLOFKYXWOARU-RBBKRZOGSA-N 471.627 2.485 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCN2CCCC[C@H]2CC)CC1 1760257306 TUSGKWJTNXHXJV-RCZVLFRGSA-N 458.651 2.338 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](C)c2nccs2)CC1 1760271400 WXHAJOUCEZKQCR-INIZCTEOSA-N 466.615 2.366 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(OC)c(OC)c1OC 1760295243 QZFYWSFMORDBMB-HOYKHHGWSA-N 488.610 2.441 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)cc1 1760529481 HXCAAFBHAYKENP-JENIJYKNSA-N 496.655 2.051 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CCC[C@H]1c1nncn1C 1760557102 ADSMKBJYXPHGTE-IBGZPJMESA-N 455.588 2.134 30 10 JEEE C=CCSCCn1c(-c2cccn2C)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1760562785 VWBMRCWENYDOKG-KRWDZBQOSA-N 450.634 2.207 30 10 JEEE CC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(C)=O)CC1)N1CCCC1 1762416757 DVEGPDZKPFJFCB-NRFANRHFSA-N 451.575 2.272 30 10 JEEE CCN(CC)C(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2([S@](C)=O)CC2)CC1 1766581274 DGYSLLVZISETRP-DHUJRADRSA-N 499.641 2.224 30 10 JEEE CNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CN(CC(C)C)CCO2)C1 1767655670 DBUYMMJOTQURNE-VXKWHMMOSA-N 465.602 2.136 30 10 JEEE CO[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC=C(c2ccc(C#N)cc2)CC1)C1CC1 1768076917 BYIAFHLMAVWJPT-KKSFZXQISA-N 470.599 2.479 30 10 JEEE Cc1nc2c([N+](=O)[O-])c(Cl)c(Cl)cc2n1Cc1ccc([B-]23OC(=O)C[N+]2(C)CC(=O)O3)cc1 1775962367 HWFRCQHNILGMLL-UHFFFAOYSA-N 491.096 2.314 30 10 JEEE CCCCCCCCNC(=O)[C@H]1C[C@@H](O)CN1C(=O)c1ccc2c(c1)C(=O)N(CCCOC)C2=O 1861516501 JSXOIALEUVWBFN-DENIHFKCSA-N 487.597 2.371 30 10 JEEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccccc1C(=O)O 1862739894 JCRPVPRBRIKLNF-GOSISDBHSA-N 453.407 2.007 30 10 JEEE COc1cc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2CCN(C)C)cc(OC)c1O 1862761521 MJFNCSFIISQASD-IBGZPJMESA-N 471.466 2.458 30 10 JEEE C=CCOc1ccccc1OCC(=O)Oc1cccc2c1C(=O)N(CCN1CCOCC1)C2=O 1865799355 LCBUAQLRWWJZDZ-UHFFFAOYSA-N 466.490 2.164 30 10 JEEE CCC[C@@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)N1CCN(c2ccccc2OC)CC1 1869929271 DVQOQBNGRDUCPF-GOSISDBHSA-N 456.568 2.251 30 10 JEEE C=CCN(CC=C)c1nc(NC(=O)COc2c(C)cccc2C)n([C@@H]2CCS(=O)(=O)C2)n1 1870004605 FTTHFVUCDVWNNA-GOSISDBHSA-N 459.572 2.450 30 10 JEEE N#Cc1c(NC(=O)COc2cn(CCO)c(CN3CCCCC3)cc2=O)sc2c1CCC2 1870324313 FKPYRMFUIRJPGI-UHFFFAOYSA-N 456.568 2.266 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)N2CCOCC2)cn1Cc1ccc(OC)cc1 1870584083 MSNNDRWCAAMCJY-UHFFFAOYSA-N 467.566 2.317 30 10 JEEE COc1cc(/C=N/n2c(CNC(C)=O)nnc2SCC(=O)NCc2ccco2)cc(Cl)c1O 1874433514 ORPBLXFGDKHQMR-KTZMUZOWSA-N 492.945 2.166 30 10 JEEE CCN1CCN(CC#CCOC2CCN(S(=O)(=O)c3cccc4cc(C)cnc34)CC2)CC1 1889805578 KZEXWOXPILKPLI-UHFFFAOYSA-N 470.639 2.354 30 10 JEEE C#CCO[C@H]1CCN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc(Br)cc2)C1 1891738003 LNMFDMXOWFRKCA-FUHWJXTLSA-N 455.374 2.243 30 10 JEEE CC(C)(C)OC(=O)N[C@]1(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CCN(Cc2ccccc2)C1 2124734373 VZVSQHQZKSUDLN-SQJMNOBHSA-N 453.587 2.355 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1S(=O)(=O)N(C)CCNC(=O)OC(C)(C)C 2255794076 HARRRTHGAVJJQJ-UHFFFAOYSA-N 454.398 2.439 30 10 JEEE CO[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)N(C(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267011045 ZQQJCLMIRIKEOZ-JKSUJKDBSA-N 450.341 2.333 30 10 JEEE CC(C)(C)OC(=O)N1[C@H]2C[C@H]1CN(S(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1)C2 2267373494 DRPRWHGRAFETPK-HOTGVXAUSA-N 464.393 2.368 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@@H]2NS(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2267379492 RQANFKHVLSKXMZ-UWWQBHOKSA-N 464.393 2.272 30 10 JEEE CC1(C)OB(c2scnc2CS(=O)(=O)NC[C@H]2CCN(Cc3ccccc3)C2)OC1(C)C 2267472855 WXQZAIYSMFGPOD-GOSISDBHSA-N 477.461 2.384 30 10 JEEE CC(C)(C)OC(=O)N1CC([S@](C)(=O)=NC(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)C1 2267476514 YXMRUTNVZMQBTK-YTTGMZPUSA-N 465.381 2.238 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@@H]1C[C@@H]1NC(=O)OC(C)(C)C 2267707022 JSKDKPBGGXIQQO-RDJZCZTQSA-N 466.409 2.486 30 10 JEEE CO[C@@H](CCNC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2268644858 CNQQAABOSRTSQS-HNNXBMFYSA-N 453.320 2.388 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2268651020 SUYRIXJLVIHCFG-YOEHRIQHSA-N 450.316 2.434 30 10 JEEE CC(C)(C)OC(=O)N[C@H](C(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)cs1)C1(O)CCC1 2268721091 GUYXWTUZFMQQSR-MRXNPFEDSA-N 466.409 2.472 30 10 JEEE C[C@@H](OCc1ccccc1)[C@@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(=O)O 2269038906 QGDXZWVISIAYIW-RDTXWAMCSA-N 481.401 2.384 30 10 JEEE Cn1ncc(C(=O)N2C[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@H]3C2)c1B1OC(C)(C)C(C)(C)O1 2281830343 KUHZXXJHNSWKJK-HOTGVXAUSA-N 460.384 2.048 30 10 JEEE Cn1nc(C(=O)N2CC3(CCN(C(=O)OC(C)(C)C)C3)C2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2282042987 KIKUPGNIWRELKC-UHFFFAOYSA-N 480.802 2.456 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H](O)C[C@@H]2CNC(=O)OC(C)(C)C)c1 2282109394 DVCXNFVCVNNNHS-IAGOWNOFSA-N 460.380 2.394 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)C[C@]12CCOC2 2282151783 WCBNESTZNFOWIR-FPTDNZKUSA-N 479.408 2.341 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)CC12CC2 2282179296 SPIZZMCDJBRQKM-OAHLLOKOSA-N 458.368 2.438 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@H]2CCN(C(=O)c3coc(B4OC(C)(C)C(C)(C)O4)c3)C[C@H]21 2282531919 POTLKZDLZXDJQE-SJORKVTESA-N 462.352 2.429 30 10 JEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NCCN1CCN(C(=O)OC(C)(C)C)CC1 2282549717 ORLGYCRIGCTPCO-UHFFFAOYSA-N 463.384 2.170 30 10 JEEE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1N(C)C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282550192 VUEZBCMHTQAAEN-DOTOQJQBSA-N 462.400 2.437 30 10 JEEE CCc1nn(C)c(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C)c1B1OC(C)(C)C(C)(C)O1 2282558131 FWDMRTQWGSWCJV-GDBMZVCRSA-N 462.400 2.409 30 10 JEEE Cc1nn(C)c(C(=O)N2CC[C@H](CCNC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2282559370 OWEALBYXYKTLBU-INIZCTEOSA-N 462.400 2.405 30 10 JEEE C[C@@H]1CN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C[C@]1(C)CNC(=O)OC(C)(C)C 2282629711 ZHBUKLOLLZGERO-CMJOXMDJSA-N 460.384 2.399 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](OCCNC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2282668838 LJPOLMOTGPVFSY-MRXNPFEDSA-N 461.368 2.137 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1NC(=O)CN(C)CCNC(=O)OC(C)(C)C 2284049239 RZCUSTLERCWNPM-UHFFFAOYSA-N 463.384 2.389 30 10 JEEE Cc1cc(CNC(=O)CN(C)CCNC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2289456772 DMYAJUSVEUUELW-UHFFFAOYSA-N 461.412 2.367 30 10 JEEE C#CCOc1c(I)cc(C=C2SC(NC(C)=O)=NC2=O)cc1OC 2294208454 DHCXEYHZFDKELT-UHFFFAOYSA-N 456.261 2.418 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2OCC[C@]2(C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)C1 2296393433 VUFMUWNVSIVSEU-WNSKOXEYSA-N 459.352 2.345 30 10 JEEE CCOc1c(C=NNc2cnn([C@H]3CCS(=O)(=O)C3)c(=O)c2Br)cccc1OC 2322659960 LVWLIVGCWQGCCN-ZDUSSCGKSA-N 485.360 2.219 30 10 JEEE NC(=O)CSc1nnc(CCCOc2ccccc2)n1N=Cc1ccc(O)c([N+](=O)[O-])c1 2328727701 UAWKDWATDJSANQ-UHFFFAOYSA-N 456.484 2.363 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@H](CNC(=O)OC(C)(C)C)OC 2339877792 DTBJGUIEPUVQCE-MRXNPFEDSA-N 451.373 2.077 30 10 JEEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@H]2CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2359267196 SUPRJCKPKXFLJE-UAGQMJEPSA-N 458.368 2.294 30 10 JEEE CC(C)(C)OC(=O)N1CC2(CC[C@H](NC(=O)c3occc3B3OC(C)(C)C(C)(C)O3)CO2)C1 2362300477 XXCGWQGGHLSUOF-HNNXBMFYSA-N 462.352 2.477 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(Cc2ccccc2)CC(F)(F)C1 2362327679 GJMGGEJVXQJUFS-UHFFFAOYSA-N 460.334 2.313 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@]1(F)CCCN(C(=O)OC(C)(C)C)C1 2362337218 KKFYSYGZNOYLAV-JOCHJYFZSA-N 466.363 2.188 30 10 JEEE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2B2OC(C)(C)C(C)(C)O2)[C@H](CC(N)=O)C1 2369314994 BALBEGXYHQYNAI-GOSISDBHSA-N 459.396 2.283 30 10 JEEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@@H](CCO)COCc3ccccc3)c(F)c2)OC1(C)C 2369619432 UAEDNRLAFVMJBT-IBGZPJMESA-N 479.379 2.371 30 10 JEEE COCCn1cc(/C=N/Nc2nc(SCC(=O)Nc3ccc(Cl)c(OC)c3)n[nH]2)cn1 59887133 CDHCFDRHDIJAMK-DNTJNYDQSA-N 464.939 2.486 30 10 JEEE N#C[C@H]1C(=O)Nc2nc(N3CCC(C(N)=O)CC3)[nH]c(=O)c2[C@@H]1c1ccc(OCc2ccccc2)cc1 72443836 ONPXGLJDEGBMBQ-NHCUHLMSSA-N 498.543 2.274 30 10 JEEE COc1cccc([C@H](CNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)N2CCCC2)c1 514458871 DTUARFFUESJJQA-QHCPKHFHSA-N 497.621 2.420 30 10 JEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1cccc(C(F)(F)F)c1 729672099 XBGSCZCFNPFGLV-UHFFFAOYSA-N 495.486 2.371 30 10 JEEE C#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCN(CC(=O)O)CC1 757273247 HZOQHOKIHLNDHH-QHCPKHFHSA-N 461.518 2.146 30 10 JEEE Cn1nc(CNC(=O)OCC2c3ccccc3-c3ccccc32)cc1C(=O)NCC#CC(=O)O 757541084 QVHROCAASZVESE-UHFFFAOYSA-N 458.474 2.277 30 10 JEEE COC(=O)CCNC(=O)[C@H]1CS[C@H](C)N1C(=O)c1ccc(COc2ccccc2C#N)o1 1161022484 BURLDHYBLOKCCX-RHSMWYFYSA-N 457.508 2.313 30 10 JEEE CC(C)(CC#N)CS(=O)(=O)NC[C@@H](N1CCN(C(=O)OC(C)(C)C)CC1)C(F)(F)F 1189577964 HBOAHVMVGRXCRJ-CQSZACIVSA-N 456.531 2.329 30 10 JEEE C=CCn1ncc2ccc(NC(=O)N3CCN(S(=O)(=O)NCc4ccccc4)CC3)cc21 1220204438 NAIRORRUWXDIJV-UHFFFAOYSA-N 454.556 2.406 30 10 JEEE C#CCCCCn1c(Cc2csc(C)n2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1286328733 PRLPECYEFRMXRC-AVRDEDQJSA-N 469.659 2.426 30 10 JEEE C#CCN(c1nnc(CC)n1CCC1CCN(CC(F)(F)F)CC1)[C@@H]1CCS(=O)(=O)C1 1286391930 FZNSPRAIRZQADR-QGZVFWFLSA-N 461.554 2.132 30 10 JEEE C#CCN(c1nnc(COc2ccccc2OC)n1CC(=C)Cl)[C@H]1CCS(=O)(=O)C1 1286395798 OCWFGYSEUSHZHP-INIZCTEOSA-N 450.948 2.245 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccc3F)n2C[C@]2(C)COCCO2)n1 1286471125 JCLXSVQYRBJSCH-XMMPIXPASA-N 468.533 2.372 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2CCCN2C[C@@H](C)O[C@H](C)C2)CC1 1286478971 MUMROMLGCIBKSV-NHCUHLMSSA-N 454.594 2.263 30 10 JEEE C=CC[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOC)CC1)c1ccccc1 1286679351 NYPBQABRZSJUPG-FGZHOGPDSA-N 473.643 2.309 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C#N)o1 1286749266 OEUZYBOAZFBPAI-IBGZPJMESA-N 488.595 2.378 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)C(=O)NC 1286763297 WJLFRXHDILTSIR-LJQANCHMSA-N 459.616 2.188 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)O[C@@H](c2ccccc2)C1 1286814099 JXIXXOIUYYWNHC-AZUAARDMSA-N 473.599 2.081 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](C)c1ncc(C)s1)[C@@H]1CCS(=O)(=O)C1 1300479634 QTSSNCHIZNETRW-NVXWUHKLSA-N 499.622 2.121 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H](C(C)C)N2CCOCC2)CC1 1300711059 RTIUJKSFGCYRDU-XPWALMASSA-N 472.678 2.309 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(CC)CC)n1CCNS(=O)(=O)c1ccccc1 1300779350 VOQWELFUEXIVAL-HSZRJFAPSA-N 472.615 2.167 30 10 JEEE C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1300927526 LKIIETGMUZFYJR-UHFFFAOYSA-N 452.607 2.496 30 10 JEEE C=C(C)Cn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1300929002 VGNKKFRMYTYTLM-AEFFLSMTSA-N 472.977 2.411 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](COCC)C1 1301502277 FMFFASRZSGSEIQ-MOPGFXCFSA-N 492.621 2.142 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 1301585829 FNBSJQXUNUWWFQ-DOTOQJQBSA-N 453.609 2.181 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1301589776 WXOBGDVQNOZBLV-MOPGFXCFSA-N 467.636 2.109 30 10 JEEE C=CCn1c(S)nc2cc(C(=O)N3CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C3)ccc2c1=O 1306882019 PQWRWCSLYMSBOZ-ABAIWWIYSA-N 454.474 2.400 30 10 JEEE COCCN1C[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@H]2CCSC2)CC1=O 1316119774 AGMVWDGQPUIMSA-OALUTQOASA-N 470.599 2.165 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C 1358890231 MOGAWNUKSGZFHJ-YESZJQIVSA-N 453.609 2.187 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2CCCN2CCOCC2)c1 1358902976 HDLNQPFDTDTXFM-UHFFFAOYSA-N 473.581 2.042 30 10 JEEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC1(O)CC(OCC)C1 1358947332 ZPWZSJBYYHIRSW-UHFFFAOYSA-N 450.543 2.064 30 10 JEEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1Cc1cccc(N2CCOCC2)c1 1358952668 TZAJINCWVSNCJL-UHFFFAOYSA-N 450.568 2.224 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC(C)(C)C(=O)NCC 1358968250 DUOWYRIICKISKU-UHFFFAOYSA-N 454.962 2.097 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@]1(O)CCO[C@@H]1C 1358974002 NHIVFQDHITXAHT-QVKFZJNVSA-N 459.344 2.329 30 10 JEEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1C[C@@H](c1ccc(OC)cc1)N1CCCC1 1358981592 PZFZKLJSJAEDOW-QHCPKHFHSA-N 460.582 2.319 30 10 JEEE C#CCN(CC)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(N2CCOCC2)CCSC1 1359013103 KUZSFORXOGSSCZ-XMMPIXPASA-N 466.611 2.396 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCCn2cnnn2)CC1 1359041430 WEALRXQGCHHBNT-KRWDZBQOSA-N 497.991 2.114 30 10 JEEE C#CCSCCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1359049928 YZIOCGDVKDBFMY-ROUUACIJSA-N 470.599 2.397 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(O)CCC[C@@H]1C 1359259337 SPYFNKDGSCAOIJ-PTLVVNQVSA-N 489.642 2.355 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@H](CC)C1 1359328482 FHSGEZIYDAGTIZ-GOSISDBHSA-N 495.671 2.423 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1359328868 QDIBZUWCHRYHOL-HUUCEWRRSA-N 475.036 2.457 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N(C)CC(=O)Nc1cccc(C)c1C 1359332979 LMKGWTWQUVAIET-SFHVURJKSA-N 461.588 2.075 30 10 JEEE CC#CC[C@@H](CO)NC(=O)NC[C@@H]1CCCN1Cc1ccc(I)cc1 1469956280 MVDLGSSRLKYTPA-ROUUACIJSA-N 455.340 2.329 30 10 JEEE C[C@H]1CCCCN1CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1493659796 CDHFINKYDVQCQF-IBGZPJMESA-N 471.631 2.163 30 10 JEEE COC(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCCO[C@@H](C)C2)C1 1503862315 FLOUOVWEMJYVMT-GHTZIAJQSA-N 452.559 2.317 30 10 JEEE C#CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1507583057 MXNWSVIGLLYLSH-QGZVFWFLSA-N 468.583 2.102 30 10 JEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc(NC(C)=O)cc1 1507609132 XIUXWMSBVFHCTF-UHFFFAOYSA-N 451.556 2.314 30 10 JEEE C#CCN(c1nnc(C2CCCC2)n1CCNC(=O)c1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 1507631838 GQAPDZIDCBPHCK-OAQYLSRUSA-N 469.611 2.301 30 10 JEEE C#CCN1CCN(c2nnc(CCCOc3ccc(Cl)cc3C)n2C[C@]2(O)CCOC2)CC1 1507728140 OWDYZKFKWPEEOK-XMMPIXPASA-N 474.005 2.158 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2CC[C@@H](N2CCOCC2)C(F)(F)F)CC1 1507733613 GALOHOSPNUNNSE-GOSISDBHSA-N 470.540 2.021 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCOC)CC1 1507740265 ZNHOKTGTHFWBDQ-LJQANCHMSA-N 474.606 2.005 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2CC[C@H](C(F)F)N2CCOCC2)CC1 1507740735 XXOICSIXVRHKJF-OAQYLSRUSA-N 492.615 2.333 30 10 JEEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCN(C(=O)COc2ccc(F)cc2)CC1 1507757501 YZUHVZZYYGHOIQ-UHFFFAOYSA-N 494.596 2.497 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1507802696 COSNSDWKRBUMMS-NLEAXPPASA-N 473.549 2.490 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H](C)CC(C)(C)C1 1508073478 NSAFRYDRLZZHCQ-KRWDZBQOSA-N 474.631 2.370 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@@H]1C[C@@H](OCC)C1(C)C 1508083876 DIKHWJBJVKGHJY-RTBURBONSA-N 451.575 2.459 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@]2(CCOC2)C1 1508149231 RGIGHAIPVAQDEV-JBYIUTFZSA-N 452.621 2.414 30 10 JEEE C=CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(NC(C)=O)CC1 1508149516 AVWUMXNHAUUCRK-UHFFFAOYSA-N 492.671 2.220 30 10 JEEE CC[C@@H](C)NC(=O)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](C#N)C1 1513192483 CGKWQEHAXVWWIC-SQNIBIBYSA-N 475.594 2.384 30 10 JEEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2([S@@](C)=O)CCC2)C[C@H]1C 1519227355 FQKYAEZCMJUVEJ-ZUQCGGBESA-N 456.616 2.275 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H]2CCN(c3c(F)cccc3F)C2=O)ccc1F 1525344642 MRGKPAUSBLTRHQ-MRXNPFEDSA-N 453.442 2.104 30 10 JEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1C[C@@H](OCC)C1(C)C 1539072935 ZFWJEBMZGRGBHC-IPMKNSEASA-N 467.636 2.054 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC(F)(F)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1539220807 LXBXHTNOFPSWMM-AEFFLSMTSA-N 450.511 2.201 30 10 JEEE C#CCN(c1nnc(CN2CCCC2=O)n1CC1(CCOC)CCCCC1)[C@H]1CCS(=O)(=O)C1 1539230654 OOPPRORYEAKISX-FQEVSTJZSA-N 491.658 2.014 30 10 JEEE C#CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccco1)[C@H]1CCS(=O)(=O)C1 1539230819 KYVCGIZYJNVAQW-KSZLIROESA-N 489.598 2.317 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CC[C@H](F)C2)CC1 1539489176 RIYAZZUZOJOMQB-WMZOPIPTSA-N 472.590 2.374 30 10 JEEE C#CCSCCn1c(N2CCO[C@H](Cn3cc(C)cn3)C2)nnc1[C@]1(OC(C)C)CCOC1 1539530608 JYJPRDAPBFALEC-REWPJTCUSA-N 474.631 2.095 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccn2C)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1539627371 JMRLRTJVDGMQTP-ZVDOUQERSA-N 477.631 2.295 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)C(C)C)CC1 1539644937 PMSQINZVECOKHN-IRLDBZIGSA-N 455.607 2.426 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)c1cc(C)oc1C 1539668736 DENOXYSQRBIECF-KNQAVFIVSA-N 481.619 2.131 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c(C(C)C)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1)C(C)C 1540146497 CCVXBHVBZINDII-QFIPXVFZSA-N 485.677 2.371 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ccccc2F)C[C@H]1C 1540862003 ODTKHMGOLFBTQE-QGZVFWFLSA-N 478.532 2.082 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1540862747 IHLIDRWHHJSGRV-RBBKRZOGSA-N 499.635 2.464 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1CCC[C@@H](n2cncn2)C1 1540875167 CTKRPTIISLJUMU-QGZVFWFLSA-N 468.587 2.314 30 10 JEEE C=CCNC(=O)Cn1c(N2CCO[C@H](c3ccc(F)cc3)C2)nnc1[C@]1(OC(C)C)CCOC1 1540875907 BDRAYCMFVGRXDO-RDPSFJRHSA-N 473.549 2.338 30 10 JEEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 1540909983 UAGDNRQKTFDWNU-QZTJIDSGSA-N 467.665 2.462 30 10 JEEE C=CCN1CCC(NC(=O)c2ccc(NS(=O)(=O)c3ccc4nc(O)[nH]c4c3)cc2)CC1 1542975044 KYVKWNHBUODFSK-UHFFFAOYSA-N 455.540 2.450 30 10 JEEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)c1coc(C(=O)N(C)C)c1C 1561922483 OAYBPJKINRNOAC-UHFFFAOYSA-N 453.561 2.313 30 10 JEEE C#CCN(c1nnc(-c2cccc3cccnc23)n1CCC(=O)N[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1588044728 BJSZAKJINUPKIN-ICSRJNTNSA-N 494.621 2.425 30 10 JEEE C#CCSCCn1c(Cc2ccccc2F)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1589088854 KTPIJSFWUQWGSR-UHFFFAOYSA-N 479.585 2.195 30 10 JEEE C#CCSCCn1c(N2CCN(Cc3cccc(F)c3)C(=O)C2)nnc1[C@@]1(OCC)CCOC1 1589124882 DBKPVYSXUUJJEP-XMMPIXPASA-N 487.601 2.285 30 10 JEEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2nccc(OC)n2)CC1 1589404532 KKPOKNFMFXDXLR-HNNXBMFYSA-N 464.368 2.206 30 10 JEEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2ccccc2C)C1 1593696188 KUCYDZZSQDENSU-QUCCMNQESA-N 463.604 2.367 30 10 JEEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1593764022 UVQIXTDGFIVINJ-QGZVFWFLSA-N 458.588 2.063 30 10 JEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2ccccc2C)C1 1594732953 JTAPAWLEUDKNLG-SFTDATJTSA-N 475.615 2.464 30 10 JEEE C=CCCOCCn1c(Cc2ccc(F)cc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1594819917 OPBITUHUOVJMEA-UHFFFAOYSA-N 456.522 2.121 30 10 JEEE C=CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1CC1CCN(C(=O)OC)CC1 1595266894 MJJDUBCRUARWOC-UHFFFAOYSA-N 457.535 2.043 30 10 JEEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@@H](COCC)C1 1595490282 ONOOPPGOSLBMIY-GOSISDBHSA-N 489.646 2.102 30 10 JEEE C=CCOc1ccc(Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCN(C(=O)NCC)CC2)cc1 1595639534 BJHJDFRHUFQDFP-UNMCSNQZSA-N 484.601 2.467 30 10 JEEE C=CCOc1ccccc1Cn1c(N2CCN(C(=O)NC)CC2)nnc1[C@]1(OC(C)C)CCOC1 1595664833 LCPPQHWWPWBLCB-VWLOTQADSA-N 484.601 2.393 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCN(C(C)C)C2)C1 1595722991 PQGLIOQINUJFRD-SLFFLAALSA-N 451.637 2.082 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(CN2CCCCC2)cc1 1609506548 BZWWSZKGKLEGSV-OAQYLSRUSA-N 451.575 2.179 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1ccc(N2CCCC2)nc1 1611696249 DUFKFLBBIFSGLS-VGSWGCGISA-N 472.619 2.062 30 10 JEEE COc1cc(N=C2N[C@@H]3[C@H](O)[C@H](O)C[C@H](C(=O)N(C)Cc4ccccc4)[C@@H]3S2)cc(OC)c1 1614399297 FFVCFUPHXIKICE-POHUPDAJSA-N 471.579 2.165 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC(c3nnc(S)n3CC)CC2)ccc1F 1616354286 SEYXXDGIPRYGAX-UHFFFAOYSA-N 453.565 2.210 30 10 JEEE CC(C)(C)OC(=O)NCc1cn([C@H]2CCCN(CC(=O)NCc3ccc(C#N)cc3)C2)nn1 1618346380 CWYXLRYPIYKUNU-FQEVSTJZSA-N 453.547 2.128 30 10 JEEE CCC(CC)NC(=O)[C@@H]1CN(CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)c2ccccc2O1 1657766641 HIOFMOAYICDKAH-GGAORHGYSA-N 455.603 2.251 30 10 JEEE C=CCn1ncc2ccc(NC(=O)N[C@H](C)C(=O)Nc3cccc(S(=O)(=O)NC)c3)cc21 1664929753 URLMUJZPUPEFPQ-CQSZACIVSA-N 456.528 2.279 30 10 JEEE COc1ccc([C@@H](CNC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)N2CCOCC2)cc1 1673901649 BJZVSDGNRUYFOH-FCHUYYIVSA-N 451.527 2.198 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1cnccc1OC 1689831712 PWMMTIMGAQRUMJ-HNNXBMFYSA-N 453.572 2.456 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)CC1 1690146066 DXBVOWQDBVGNJL-UYAOXDASSA-N 488.633 2.393 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC[C@@H](O)C2)CC1 1690152794 XUAMYZOMVWWXDG-RBBKRZOGSA-N 476.581 2.246 30 10 JEEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1690671246 RWPFJQACKQUVDO-XUVXKRRUSA-N 488.633 2.414 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H]2CCC[C@H]21 1690672401 QOFSQLKWZPDJFV-KURKYZTESA-N 460.579 2.268 30 10 JEEE C=CCOc1ccccc1Cn1c(-c2ccc[nH]2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1690682246 JHJUZRBJKAGCHT-KRWDZBQOSA-N 456.572 2.356 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cc3c(cc2OC)C[C@@H](C)O3)C1 1690685938 GKKBMNJUZJKUEB-GPMSIDNRSA-N 491.614 2.050 30 10 JEEE C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CCS(=O)(=O)C1 1692828485 AIZRYPDPTIRFSQ-HDMKZQKVSA-N 465.963 2.235 30 10 JEEE CCNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1695911942 CDELBCIXKVEVDV-JKSUJKDBSA-N 460.604 2.237 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1CCNS(=O)(=O)Cc1ccon1 1705484723 VAHSZXAPQFPPPD-AWEZNQCLSA-N 478.962 2.173 30 10 JEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1705516927 LLFQFXKGPQQCSW-KRWDZBQOSA-N 463.007 2.359 30 10 JEEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)Cc2cccc(OC)c2)CC1 1705539978 JEKSHQIOHGGGBB-URXFXBBRSA-N 481.597 2.315 30 10 JEEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1cccc(-n2cncn2)c1)[C@H]1CCS(=O)(=O)C1 1705562320 ZUDPLOWGBLOSET-PXNSSMCTSA-N 453.572 2.047 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CCSCCCO)[C@@H]1CCS(=O)(=O)C1 1705563357 VUNVETSRLVOVMF-GOSISDBHSA-N 469.032 2.341 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1CCN1CCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1705569623 FGYOSSVWRPGCPU-IFMALSPDSA-N 455.628 2.288 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@H]2CN(CC(C)C)CCO2)CC1 1705646198 UGIBMRDDKCSYGG-XMMPIXPASA-N 494.640 2.276 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCc2nccc(C(F)(F)F)n2)CC1 1705649444 YBFFAOZTNYWDRD-UHFFFAOYSA-N 472.475 2.291 30 10 JEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2ccccc2OC)CC1 1705652773 MQNYBBMBFLCBSJ-UHFFFAOYSA-N 468.627 2.211 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc(C)c2C)CC1 1705661654 HGNLQKNRSFYNPD-FQEVSTJZSA-N 473.668 2.490 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC[C@@H]1COCCO1 1705713064 RDXQNWBLGQYZNQ-LJQANCHMSA-N 463.604 2.403 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1705896710 VWCLVJUTTXZXHI-LJQANCHMSA-N 477.529 2.051 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N(C)Cc1cnn(C)c1 1705898252 GSMBXZBJKMGEMI-UHFFFAOYSA-N 474.363 2.388 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCOc2ccc(OC)cc2)C1 1705925462 PPZFUSOLKZPBIY-PXNSSMCTSA-N 462.572 2.049 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1705935476 SJHUXOYFZGQMEL-UHFFFAOYSA-N 463.579 2.179 30 10 JEEE C[C@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCN(CC(F)(F)F)C1 1706069574 FTVRZWMZYGWSJD-CABCVRRESA-N 450.469 2.405 30 10 JEEE CC(C)n1nc(-c2nnc(N(CCC#N)CC3CC3)n2CC(=O)N(C)C)c2ccccc2c1=O 1706577396 GZPNNSFSOUXJAF-UHFFFAOYSA-N 462.558 2.454 30 10 JEEE CNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(N(C)C)CCSC2)CC1 1711350779 BWJIEDHYWDPHAN-QHCPKHFHSA-N 453.616 2.216 30 10 JEEE COc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCCN2C[C@H](C)O[C@H](C)C2)cc1 1711884843 HSVQNZKXLCPVOL-XQBPLPMBSA-N 470.574 2.094 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCN1C[C@H](C)O[C@H](C)C1 1722279401 HFDFTUNPJFDMSZ-QRVBRYPASA-N 459.616 2.306 30 10 JEEE C#CCCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@H](C(=O)NC)C1 1722310313 JKKCHFLLESLGMB-SFHVURJKSA-N 471.631 2.313 30 10 JEEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)c2c(F)cccc2F)CC1 1722321493 GKZUPUKJGUSYQA-UHFFFAOYSA-N 456.497 2.168 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1CCN1CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1722366959 UHLCOTPIQJNJSC-ICSRJNTNSA-N 459.591 2.119 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCOc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1722369111 YQBZCFDTKLDSCY-WOJBJXKFSA-N 458.584 2.186 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1722387112 GNKCOZKJHAAEDT-HSZRJFAPSA-N 483.576 2.003 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1c(C)nn(-c2ccccc2)c1C 1722391170 YBHAXLKRPUYJAD-IBGZPJMESA-N 479.610 2.202 30 10 JEEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1Cc1cccc(CS(C)(=O)=O)c1 1722417080 UOUDCAUMSVXROU-UHFFFAOYSA-N 471.608 2.322 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCc2ccc(S(C)(=O)=O)cc2)CC1 1722448854 ZTFURIDSXZVFBB-QFIPXVFZSA-N 499.637 2.132 30 10 JEEE C#CCSCCn1c(-c2ccc(F)cc2Br)nnc1N1CCO[C@@H](C(=O)NC)C1 1722453844 DAQCQGGAXXZYGK-MRXNPFEDSA-N 482.379 2.164 30 10 JEEE C#CCSCCn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1722460883 MHBCAKMQMOELSY-FQEVSTJZSA-N 457.575 2.202 30 10 JEEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1722581100 APVXOZNKAQBUJO-FUHWJXTLSA-N 465.624 2.285 30 10 JEEE C=CCN(CC=C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1(C(N)=O)CCOCC1 1722665331 JWBDSCTVBPCDEJ-UHFFFAOYSA-N 487.630 2.007 30 10 JEEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC(N2CCCC2=O)CC1 1722699971 RKMRWPOYGACGIG-UHFFFAOYSA-N 458.513 2.041 30 10 JEEE C=CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2cnn(C)c2)CC1 1722742746 FRPMQKPYAPESNY-UHFFFAOYSA-N 472.644 2.249 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCN1Cc1ccccc1 1722862835 FNVPUXSBXGALLV-HBFSDRIKSA-N 459.620 2.149 30 10 JEEE CC(C)(C)C(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCC2)CC1 1722884161 HIGNAZSJGWJYQW-UHFFFAOYSA-N 452.559 2.338 30 10 JEEE COCC[C@](C)(O)Cn1c(Cc2cccnc2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1730631752 AWYRMJJOIPSUBB-SANMLTNESA-N 475.597 2.245 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)cc(OC)c2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1740536401 GEKQAXXZTLDFEU-XMSQKQJNSA-N 468.602 2.363 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCC(=O)NC(C)C 1740560895 RQXQCVLGOCEHAE-OAQYLSRUSA-N 451.619 2.015 30 10 JEEE C#CCCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCN(S(C)(=O)=O)CC1 1740566642 WYQHXNGTKNYRKZ-UHFFFAOYSA-N 453.572 2.220 30 10 JEEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccnc1Oc1cccc(F)c1 1740600650 MUFBEUDRBFQAEK-HNNXBMFYSA-N 458.519 2.332 30 10 JEEE C#CCN(c1nnc(CCCc2ccccc2)n1Cc1ccc(C)n(C)c1=O)[C@H]1CCS(=O)(=O)C1 1740623752 AIPLZCKHSQJOAG-QHCPKHFHSA-N 493.633 2.136 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)c1nc(-c2ccccc2)no1 1740657626 UPSBXKXPSQTQBP-AZUAARDMSA-N 478.578 2.497 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCC(=O)NCCC)CC1 1740702084 VPPNTWMUMYHFLB-UHFFFAOYSA-N 487.004 2.489 30 10 JEEE C=CC1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC2(O)CCOCC2)CC1 1740836208 RIGIPBSJOLDOOX-UHFFFAOYSA-N 475.615 2.139 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)OC)CC1 1740969154 KQTKNXMMFMACCS-IBGZPJMESA-N 474.583 2.183 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ccccc2Cl)C1 1740982456 UMMMGTNPOHRZCK-QUCCMNQESA-N 496.033 2.288 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1740991428 WNIQSNGFEHTMNI-MSOLQXFVSA-N 467.636 2.252 30 10 JEEE COc1ccc(Br)c(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCN2CCSCC2)c1 1748587771 DHBJSNWZQHFTTI-INIZCTEOSA-N 493.431 2.494 30 10 JEEE C#CCCCCn1c(COc2ccc(C)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1748724261 QBEFIKYKUPJLQG-HXUWFJFHSA-N 450.543 2.442 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1cccnc1OCC(F)F 1748836246 SDWCKNUPFNRWLA-UHFFFAOYSA-N 475.463 2.081 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CCC[C@@H]1C 1748858656 RHCFXHDZGCTOJE-AXHZCLLHSA-N 457.575 2.210 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(Cl)c(OC)c(OC)c1 1748930030 WHMUSXACOBEVAE-OAHLLOKOSA-N 452.964 2.359 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H](c2cccs2)N(C)C)CC1 1748979612 GXFAVQDRLQBDJA-NRFANRHFSA-N 498.678 2.468 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CSc3ccc(Cl)cc3)n2Cc2nncn2C)CC1 1749019213 PEBAQWKDZAZDAX-UHFFFAOYSA-N 485.017 2.366 30 10 JEEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1749352322 LFIYEBLXLZHNMN-TZIWHRDSSA-N 471.650 2.105 30 10 JEEE C=CCCOCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@](C)(C(=O)NC)C1 1749457709 OQPVDNKTBHUGHS-UUOWRZLLSA-N 492.621 2.142 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@@H](CNC(=O)CCC)C1 1749670432 TUNBQSGXINWACX-RXVVDRJESA-N 482.585 2.226 30 10 JEEE C=CCNC(=O)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCS[C@H](C)[C@@H]1C 1749676730 BDCDOZKJSZNEJB-LEWJYISDSA-N 483.686 2.275 30 10 JEEE CC(=O)N1CCC[C@@H](Cn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N(C)[C@H](C)CC#N)C1 1749817136 IFWUORQTZKUNGQ-IEBWSBKVSA-N 487.630 2.192 30 10 JEEE CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCOC[C@H]2CCCO2)[C@@H](C)C1 1749850685 DHDWHFVESYCNCU-PGRDOPGGSA-N 452.559 2.459 30 10 JEEE CC(C)CCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1750788765 DMIZIXRDTXDBNB-LJQANCHMSA-N 460.604 2.493 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCC(=O)N[C@@H](C)CC 1760101430 PMCIBDYVDHWVIJ-JKSUJKDBSA-N 459.620 2.309 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C(CC)CC)no1 1760117125 MSALUSBIEFSOTR-HNAYVOBHSA-N 464.592 2.009 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CC1CCN(C(C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1760183295 OBUGMJNYAHAUTR-OAQYLSRUSA-N 490.029 2.484 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1Cc1cccc(OCC(=O)N(C)C)c1 1760205316 XNBJGCRSQWLDGB-UHFFFAOYSA-N 462.579 2.222 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CCCN(C(C)=O)C1 1760211966 OXNOGAABHOYPAY-OAQYLSRUSA-N 495.653 2.268 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)ccc3C)n2CCc2n[nH]c(C)n2)CC1 1760271180 OOJYVPISBXDNJT-UHFFFAOYSA-N 476.585 2.109 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[S@@](=O)CC 1760480089 KLVWXAYCVIBOOP-QTEAWJPNSA-N 461.613 2.013 30 10 JEEE C=CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1760507911 PZSWTTXSYNNFSH-UHFFFAOYSA-N 492.005 2.346 30 10 JEEE C=CCn1c(COc2ccc(OC)cc2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1760512789 KFBBBXXEXHLZLQ-AUSIDOKSSA-N 468.602 2.431 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CC[C@H](N2CCCC2=O)C1 1760519787 PPUVWPJBJGXINU-HNNXBMFYSA-N 473.375 2.211 30 10 JEEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)CC(C)(C)C1 1760565704 CQKCQVHPEBFGOY-IAGOWNOFSA-N 457.666 2.403 30 10 JEEE CCO[C@@]1(c2nnc(N(C)C[C@@H](C)C#N)n2Cc2cccc(CN3CCOCC3)c2)CCOC1 1765817585 HYGKEDJOZFCEBY-CPJSRVTESA-N 468.602 2.407 30 10 JEEE COCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 1769866224 CWNSGLDNGRMGNY-NRFANRHFSA-N 488.614 2.206 30 10 JEEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)c2nccs2)CC1=O 1771149820 HXFWICICAJCATB-KRWDZBQOSA-N 481.582 2.284 30 10 JEEE Cc1nnc2sc(CCC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)Nc3cccc(C#N)c3)nn12 1867041817 JNSBLUSVMLKLAD-IBGZPJMESA-N 475.534 2.370 30 10 JEEE CCN1CCN(Cc2cc(=O)c(OCc3ccc(C#N)cc3)cn2CCCN2CCCC2=O)CC1 1870347852 WEYGGVHYRJZZTP-UHFFFAOYSA-N 477.609 2.449 30 10 JEEE CC(C)N1C[C@H](c2nnc(SCC(=O)NCc3ccco3)n2/N=C/c2cccnc2)CC1=O 1874333717 WKJKHELFUWDMTG-LHSRNITLSA-N 467.555 2.281 30 10 JEEE Cc1c(N)cc(Br)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N 2162921262 JSIHOYIDUVUEBR-CYBMUJFWSA-N 459.366 2.473 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCN(CC(=O)NCc2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2180981115 QEJCMBXYWCAGAG-LJQANCHMSA-N 459.396 2.201 30 10 JEEE CC1(NC(=O)OC(C)(C)C)CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2255949201 VUTVOBPDNWEUAP-UHFFFAOYSA-N 452.382 2.274 30 10 JEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O 2267130396 NYPJVIDZRDPEEB-HOTGVXAUSA-N 466.409 2.456 30 10 JEEE CN1CCN(C(=O)OC(C)(C)C)[C@@H](CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2267217336 GEYWTFBNEVJQOV-HNNXBMFYSA-N 465.425 2.328 30 10 JEEE COCCN(C(=O)c1ccoc1B1OC(C)(C)C(C)(C)O1)C1CN(C(=O)OC(C)(C)C)C1 2267281209 SWPNQTSYSIKANW-UHFFFAOYSA-N 450.341 2.287 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@H]2NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2267465486 OTARNRIBWDMCEW-PMPSAXMXSA-N 484.449 2.475 30 10 JEEE CC(C)(C)OC(=O)N[C@]1(C(=O)O)CCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2267591110 XKSCDCHARGZKAX-OAQYLSRUSA-N 466.365 2.241 30 10 JEEE C[C@H](NC(=O)[C@]1(NC(=O)OC(C)(C)C)CCOC1)c1nscc1B1OC(C)(C)C(C)(C)O1 2268645380 UOPAVSVVORDCJP-ZSEKCTLFSA-N 467.397 2.303 30 10 JEEE CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1CC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2268706827 RCFBYOHSHOKFBA-NSHDSACASA-N 474.339 2.233 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2COC[C@@H]2NC(=O)OC(C)(C)C)c1 2281823057 WQAIGHRMGVAASS-ROUUACIJSA-N 462.352 2.016 30 10 JEEE Cc1c(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281984777 FPRKDBFGXCNWBI-ZBFHGGJFSA-N 462.400 2.403 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(C(=O)OC(C)(C)C)CC[C@H]1C 2282004617 KSJGIAQQMNFMCQ-OAHLLOKOSA-N 462.400 2.499 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@@H](C)[C@H](NC(=O)C(F)(F)F)C2)n1 2282038910 OOPQUVPGIXXSBR-IUODEOHRSA-N 455.286 2.218 30 10 JEEE C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)CCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2282052725 CAZOTKDAKJJWBM-HZPDHXFCSA-N 462.400 2.485 30 10 JEEE Cn1ncc(C(=O)NC[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2282054502 RJEMKMKUMBTXSM-GFCCVEGCSA-N 476.305 2.295 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O 2282125628 ZJHWPPXOWIJVAU-OALUTQOASA-N 460.380 2.394 30 10 JEEE 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)c[nH]1 2282200899 PCEIBSQGFZGLGJ-HPBDAGMYSA-N 461.368 2.114 30 10 JEEE CCc1nc(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 2282521977 DWLYRQQBAXDLRJ-UONOGXRCSA-N 481.424 2.105 30 10 JEEE CC[C@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CC[C@H]1NC(=O)OC(C)(C)C 2282533374 KLIREFLTTIPQJV-DOTOQJQBSA-N 462.400 2.485 30 10 JEEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)C1NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282537344 OUUSQERIPZWRDD-HUUCEWRRSA-N 462.400 2.341 30 10 JEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CC[C@@H](CO)[C@H](NC(=O)OC(C)(C)C)C1 2282549531 MCBMVNRQPPPQCB-DOTOQJQBSA-N 464.368 2.235 30 10 JEEE CC[C@@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)CC[C@H]1NC(=O)OC(C)(C)C 2282627154 GQAZYPILHASNMP-HZPDHXFCSA-N 462.400 2.485 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)[C@@](C)(CO)C1 2282678054 HLVGUAZAYZKKIY-XMMPIXPASA-N 460.380 2.430 30 10 JEEE CO[C@H](C)[C@H](CC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)c(C)n1)NC(=O)OC(C)(C)C 2283984281 UNYULDOETGWBHV-ZBFHGGJFSA-N 464.372 2.341 30 10 JEEE C[C@H](O)CN(CCNC(=O)OC(C)(C)C)C(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1F 2285414400 YMZXOFQBXUIDMZ-HNNXBMFYSA-N 466.359 2.473 30 10 JEEE CN(C(=O)c1nscc1B1OC(C)(C)C(C)(C)O1)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1F 2320550458 DGXWLDSZVUDGDN-KBPBESRZSA-N 455.361 2.472 30 10 JEEE COc1cc(C=NNc2cnn([C@H]3CCS(=O)(=O)C3)c(=O)c2Cl)cc(Cl)c1OC 2322614709 VOPIDRDYGXDZOP-NSHDSACASA-N 461.327 2.373 30 10 JEEE C[C@@H](NC(=O)[C@@H]1C[C@@H](O)CCN1C(=O)OC(C)(C)C)c1nscc1B1OC(C)(C)C(C)(C)O1 2359385603 VQWUNYKKOJRICW-YCPHGPKFSA-N 481.424 2.380 30 10 JEEE CC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2362352430 DHTLOYPGLFVBAN-HZPDHXFCSA-N 462.400 2.485 30 10 JEEE 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)ncn1C 2362354210 QSBAFKRPRFNSQI-CVEARBPZSA-N 462.400 2.437 30 10 JEEE CN1CCC(CNC(=O)OC(C)(C)C)(NC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)CC1 2362498974 OPLBRIRHTPNIEE-UHFFFAOYSA-N 480.440 2.161 30 10 JEEE Cc1nn(C(C)C)c(C)c1/C=N/Nc1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)n1N 20805428 DGEBVJLMKZTPRN-ZVBGSRNCSA-N 472.535 2.471 30 10 JEEE COC(=O)c1ccc(/C=N/Nc2nnc(SCCC(=O)Nc3cccc(OC)c3)n2N)cc1 20914013 VUJRSSIKGCLQAQ-YDZHTSKRSA-N 469.527 2.354 30 10 JEEE CCN1C(=O)[C@]2(/C(=C(/O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCCOC)c2ccccc21 102550143 MVQZQRVXTDJHAS-VYNOCKSYSA-N 478.501 2.437 30 10 JEEE Nn1c(N/N=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)nnc1SCC(=O)Nc1cccc(F)c1 253567491 KCLHBQQIJPYBBZ-DNTJNYDQSA-N 475.422 2.124 30 10 JEEE CCc1cccc(OC[C@H](O)Cn2c(NN=Cc3cccc(OC)c3)nc3c2c(O)nc(=O)n3C)c1 606629722 FUBCKYIQICZUIB-GOSISDBHSA-N 492.536 2.293 30 10 JEEE CCc1cccc(OC[C@@H](O)Cn2c(NN=Cc3cccc(OC)c3)nc3c2c(O)nc(=O)n3C)c1 606629723 FUBCKYIQICZUIB-SFHVURJKSA-N 492.536 2.293 30 10 JEEE C[C@H]1C[C@@H]1c1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(Cc3ccccc3)c2=O)o1 610487516 OBCZUDRXJLZLLW-PXNSSMCTSA-N 475.570 2.036 30 10 JEEE C=CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(C(=O)N[C@H](C)C(=O)OCC)cc2)c1 1148379213 PTGWHIIIKKNCGE-OAHLLOKOSA-N 459.524 2.085 30 10 JEEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCCN(C(=O)CCc3ccccc3)CC2)c1 1149101959 LKIOYSWKSFRXAB-UHFFFAOYSA-N 455.580 2.458 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2Cc2c(C)nn(C)c2C)CC1 1286473772 SVQVCKBCISLZFN-UHFFFAOYSA-N 479.585 2.125 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CC2CCN(CCC(C)C)CC2)CC1 1286494370 MSOJCYYGQPCMRO-UHFFFAOYSA-N 497.688 2.124 30 10 JEEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1286511036 FVAREKVPLPGCTO-LEWJYISDSA-N 457.648 2.053 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1286781561 UJXIDDJSWNBTPX-RBUKOAKNSA-N 453.591 2.368 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CCN(C2CCOCC2)CC1 1286782447 VIJQRSGBOIUSIC-UHFFFAOYSA-N 489.418 2.311 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCc2n[nH]c(C)n2)C1 1286814457 SKHLEOCPQULINP-KSZLIROESA-N 472.594 2.499 30 10 JEEE CC(C)NS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)[C@@H](C)CC#N 1288268596 GBPPVMHGGIJSIR-INIZCTEOSA-N 456.576 2.401 30 10 JEEE CCOCc1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCN1CCOCC1(C)C 1297278630 CMQRKCVBOYFVKA-UHFFFAOYSA-N 453.591 2.124 30 10 JEEE C#CCCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1300348660 OEYVIWZBAIGRDF-SFHVURJKSA-N 476.375 2.471 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2CCC=CO2)CC1 1300718390 MIZZYGQRYWPESR-HXUWFJFHSA-N 483.594 2.007 30 10 JEEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1300997279 SPAHCTZAVVROLK-UHFFFAOYSA-N 479.585 2.400 30 10 JEEE C=C1CCN(c2nnc(CNC(=O)c3cccs3)n2CCN2CCN(C)C(C)(C)C2)CC1 1301091575 JINPLQFWFDWBCY-UHFFFAOYSA-N 457.648 2.452 30 10 JEEE C=CCCOCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1301239724 RYYXGVURFUWDML-HSZRJFAPSA-N 472.977 2.313 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2oc3ccccc3c2OC)C1 1301540145 ZOORIIBHFWQMDB-HZPDHXFCSA-N 475.571 2.473 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N(C)CC1COC(C)(C)OC1 1301576053 QOBJAKXEKLNQBN-UHFFFAOYSA-N 464.588 2.390 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@@](C)(OC)C1 1301589648 VNCYOVTZNRTBTB-HSZRJFAPSA-N 489.646 2.058 30 10 JEEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1301596299 KQVQBPPMIHJJSY-HXUWFJFHSA-N 461.680 2.038 30 10 JEEE CC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCOCC2)CCN1CCOC 1306409155 HZMPJMXGRQITQP-QHCPKHFHSA-N 467.618 2.086 30 10 JEEE C#CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CCNS(C)(=O)=O 1358918308 QHOFSQGWIBGIRL-KRWDZBQOSA-N 468.624 2.139 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1Cc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1358965356 SXHLVYSDVOLALI-IBGZPJMESA-N 471.608 2.317 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@H]1CC(=O)N(CCOC)C1 1358986617 BDARZYNROBOOAD-HXUWFJFHSA-N 471.565 2.293 30 10 JEEE C=C(C)COCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](C(=O)NC)C1 1359133161 MMUWKSHSDHJJER-MOPGFXCFSA-N 492.621 2.142 30 10 JEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccccc2F)CC1 1359215460 BXJCLHBROPMGSF-HXUWFJFHSA-N 478.594 2.043 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1=CCCOC1 1359256992 WNVXHAHYHBBKHG-JOCHJYFZSA-N 498.609 2.022 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 1359302412 HAJBOQDWQGBMSV-FQEVSTJZSA-N 478.532 2.106 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@](O)(c2ccccc2)C(F)(F)F)C1 1359320488 RASFBKATQUYGIY-LZJOCLMNSA-N 465.476 2.461 30 10 JEEE C=CCn1cc(C(=O)NC[C@@H]2CCCN2Cc2ccc(I)cc2)nn1 1459546890 JOEAZKGEKPRXPE-INIZCTEOSA-N 451.312 2.463 30 10 JEEE CCOC(=O)N[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2ccn(C)n2)C1 1502534443 HLLMPBROPVNYEU-HXUWFJFHSA-N 478.557 2.420 30 10 JEEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccccc2Br)C1 1505314527 FTVISNGRZCSOQG-KBXCAEBGSA-N 468.352 2.433 30 10 JEEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1507579431 WMIXKBULACULPE-HNNXBMFYSA-N 483.436 2.225 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC[C@@H](OC)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1507630664 FCWMWIFBJRRWBI-DOTOQJQBSA-N 471.505 2.243 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1Cc1cccn(CC)c1=O)[C@H]1CCS(=O)(=O)C1 1507637327 AKWZCOKWTPPKMR-NRFANRHFSA-N 495.605 2.022 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1C[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 1507710228 DFCMIKRZXXESQN-FUMNGEBKSA-N 459.591 2.371 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCN2CCOCC2(C)C)CC1 1507724067 FTDHVPKLDOJKBL-UHFFFAOYSA-N 457.022 2.388 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1507731744 CAWNZJFLUXTOMK-FQEVSTJZSA-N 454.550 2.010 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccnc(SC)c2)CC1 1507740674 PABFDQJTIFIRDO-UHFFFAOYSA-N 478.626 2.271 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCCN(C)C)cc1 1507773557 SZXZFFZBDBHKCS-GBXCKJPGSA-N 471.627 2.161 30 10 JEEE C=CCCOCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(CC(C)C)C(=O)C1 1507961699 CRGWOYLUKFJYMY-UHFFFAOYSA-N 479.585 2.089 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCS(=O)(=O)C1 1508004185 AICFVPQEZLWGLG-SJORKVTESA-N 499.634 2.045 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(CCN2[C@@H](C)CC[C@H]2C)CC1 1508072773 KJTXOIVQNUKEFC-OYRHEFFESA-N 481.645 2.251 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCC(N(C)C(=O)OCC)CC1 1508095639 YVLOQGSCVVOFLK-UHFFFAOYSA-N 474.537 2.356 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1508106106 UURXWEXJRINSFD-UYAOXDASSA-N 475.615 2.161 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1508135030 DDZIVAYPTBKHNM-QYWGDWMGSA-N 482.006 2.367 30 10 JEEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H](C)[C@@H]1CC 1508142654 FOKLRKINSCNCOB-CVEARBPZSA-N 451.618 2.495 30 10 JEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1508163579 VVJAJRSLEMAAMB-INIZCTEOSA-N 484.717 2.103 30 10 JEEE CCOCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1516428424 BPAYXBCVKWHYNB-QZTJIDSGSA-N 454.579 2.221 30 10 JEEE COc1cc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CC2(CS(C)(=O)=O)CC2)cc(OC)c1OC 1517962330 DTQWPFVREKSUHE-QFIPXVFZSA-N 493.561 2.238 30 10 JEEE C#CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCN(CCOC)CC1 1539116408 NVMXFWHFNWAZAA-UHFFFAOYSA-N 463.586 2.247 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCSC1 1539392327 OSGHBZDZUZCWRS-UYAOXDASSA-N 493.630 2.143 30 10 JEEE C#CCN(CCOC)c1nnc([C@H](C)Oc2ccccc2F)n1CC1CCS(=O)(=O)CC1 1539396881 SWZZEGJJDWREGQ-KRWDZBQOSA-N 464.563 2.468 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC2CCN(CCC)CC2)CC1 1539469988 WPINOTRVKSPXBV-AREMUKBSSA-N 486.661 2.018 30 10 JEEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(CC(C)C)C(=O)C1 1539499324 ILUFLHSEANACAZ-UHFFFAOYSA-N 475.640 2.020 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC(=O)Nc1cccc(Cl)c1C 1540072775 NMMQENCQWUGUBC-SFHVURJKSA-N 497.021 2.224 30 10 JEEE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3cccc(C#N)c3)n2CCC2(O)CCOCC2)C1 1540937956 HOMDCTGRFWCNOG-FQEVSTJZSA-N 452.559 2.053 30 10 JEEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCOC[C@@H]2C)C1 1547779520 FATPXXNJQBIPGJ-FFZOFVMBSA-N 458.588 2.007 30 10 JEEE COCC1(CCn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCO[C@@H](C#N)C2)CCC1 1555290850 HMSJRUOCWMWSQP-SFHVURJKSA-N 459.572 2.284 30 10 JEEE COc1ccc(CC(=O)Nc2ccccc2O[C@H](C)C#N)cc1S(=O)(=O)N1CCOCC1 1583239916 FBPNIIPGPXZHRW-MRXNPFEDSA-N 459.524 2.188 30 10 JEEE CC(=O)c1ccc(S(=O)(=O)NCC(=O)N[C@@H](C#N)c2ccccc2Br)cc1 1585455201 BXKRJQBMWKHSBN-KRWDZBQOSA-N 450.314 2.311 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCSCCCO 1587638350 DFFCSIFQAJBNLQ-DLBZAZTESA-N 453.609 2.160 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCSc1ccc(C)cc1 1587638428 DVBVRAHIKWKEKH-HKUYNNGSSA-N 463.629 2.170 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CC1(OC)CCCCC1)[C@H]1CCS(=O)(=O)C1 1588064551 KKANYUKFIMPYJR-FQEVSTJZSA-N 457.600 2.240 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1Cc1cccc(CN2CCOCC2)c1 1588647063 QSSZVGWWNRNENT-QHCPKHFHSA-N 453.587 2.139 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCc2ccc(N(C)C)cc2)CC1 1588877312 ZCJXRNCMKLCAIZ-GMAHTHKFSA-N 452.603 2.066 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)N[C@H](C)c2ccccc2)CC1 1588923918 QJMVGYDPJUYJJN-KNQAVFIVSA-N 491.640 2.324 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1csc([C@H](C)OC)n1 1589149829 AHWWBPIVUPCDKN-CKFHNAJUSA-N 452.606 2.093 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN(CC)CCC(F)(F)F 1589151045 QDOMHKLJFWAYNO-CRAIPNDOSA-N 464.558 2.155 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(F)cc2F)CC1 1594097407 SMICXUJAQUXREF-SFHVURJKSA-N 453.515 2.094 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ncnn1CC(F)F 1594498105 QGCSRPVZCZUXJW-CQSZACIVSA-N 457.551 2.276 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1cccc(Br)c1 1595788700 HIYLIELAIHTETD-INIZCTEOSA-N 482.404 2.229 30 10 JEEE CC(C)(C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1597414592 ICYDFWDFNHRLTO-UHFFFAOYSA-N 486.580 2.479 30 10 JEEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCC[C@@H](NC(=O)c3cc4ccccc4o3)C2)CC1 1616059041 FWRXRWBIBMMCMA-RTWAWAEBSA-N 451.571 2.319 30 10 JEEE N#Cc1ccc(CN2CC[C@@H](NC(=O)N[C@H]3CCN(c4ccc(Cl)cc4)C3=O)C2=O)cc1 1632032584 BUJDNPHPVMZGNW-UXHICEINSA-N 451.914 2.417 30 10 JEEE C=CCN(C(=O)c1cc(-c2ccc3c(c2)OCO3)nc2c1c(O)nc(=O)n2C)[C@H](C)COC 1632751657 FLAKBKOGRIHSIQ-CYBMUJFWSA-N 452.467 2.093 30 10 JEEE C#CC[C@]1(C(=O)NCCOCCOCC(=O)OC(C)(C)C)CCCN1C(=O)OC(C)(C)C 1648542048 BFECZJAKYRUFLV-HSZRJFAPSA-N 454.564 2.271 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2Cc2ncccc2N(C)C)c1 1689868458 HQTDVRQFRGLVCR-UHFFFAOYSA-N 486.580 2.080 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCCC2 1689930545 ULAVTBJPMIKSLH-HSALFYBXSA-N 479.647 2.198 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1CCc1ccc(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1689992388 KHXXVYFTKXLFBS-IBGZPJMESA-N 460.600 2.363 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCOc1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 1689998672 SOQDJYOWTOABMP-VQIMIIECSA-N 464.975 2.489 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2)n1CC1(N2CCOCC2)CC(OCC)C1 1690009634 DUEIWLKFBFJAMO-UHFFFAOYSA-N 463.582 2.296 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC1(CS(C)(=O)=O)CC1 1690072636 ONAKEFXXVUAFOY-UHFFFAOYSA-N 482.610 2.349 30 10 JEEE C#CCN(CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1ncnn1C(C)(C)C 1690082784 ODZOSDKDUKYHTQ-UHFFFAOYSA-N 475.645 2.497 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@](C)(O)c2ccco2)CC1 1690133654 OVDFCXNZCWIPGD-XMMPIXPASA-N 451.527 2.122 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C)cc2SC)CC1 1690143921 GPHJUXKQMITGPU-IBGZPJMESA-N 466.611 2.274 30 10 JEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(c2cc(OC)cc(OC)c2)CC1 1690170997 UEVNNZSHLZYHGM-OAQYLSRUSA-N 484.626 2.330 30 10 JEEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(Cc2cc(C)on2)CC1 1690183262 RLZMDDQKBIBIMV-UHFFFAOYSA-N 485.639 2.255 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1690663874 HFEAUOCJLBUICL-LBPRGKRZSA-N 460.387 2.423 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2cccc(C)c2)CC1 1690731870 SDOXQFKEVHGZBV-UNMCSNQZSA-N 489.642 2.238 30 10 JEEE CCCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@@](C)(C#N)C1 1695435698 GRGMNWRZEHEOCY-QFIPXVFZSA-N 472.619 2.203 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(COC)CCOCC1 1705494551 BVYLUMZPGNVEQY-OALUTQOASA-N 477.606 2.488 30 10 JEEE C#CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1cccc(S(=O)(=O)NC)c1 1705544002 BQJLIOXNXFNJRE-UHFFFAOYSA-N 463.361 2.062 30 10 JEEE C#CCN(C)c1nnc(COc2ccc(Br)cc2)n1Cc1ccc(C(N)=O)nc1 1705556548 SIJHXYWPMUOKCL-UHFFFAOYSA-N 455.316 2.231 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCCNc1ccccn1)[C@H]1CCS(=O)(=O)C1 1705564192 AXIFVAGJPNUUPG-RBUKOAKNSA-N 458.588 2.044 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H]1CCCN(C(C)=O)C1 1705623253 LLXGOUOPVPDNLW-IBGZPJMESA-N 455.559 2.307 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccccc3Cl)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC1 1705636962 DJOKPMOMMMCQTN-JOCHJYFZSA-N 484.048 2.296 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C)Cc2cccs2)CC1 1705647833 MLIFJZBGVNSZJL-LPHOPBHVSA-N 454.600 2.135 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCS(=O)(=O)c1ccccc1 1705674404 ILEKKZMEKHGNEQ-PGRDOPGGSA-N 476.624 2.036 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N(C)CC(=O)NC(C)C 1705705647 JXRVWWBJAWJHDJ-OXJNMPFZSA-N 460.604 2.212 30 10 JEEE C=C(Cl)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(N2CCCNC2=O)CC1 1705749735 GOYMNWBOIWDDHS-UHFFFAOYSA-N 479.006 2.485 30 10 JEEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(CCOC(C)C)CC1 1705901066 ZIRLZPBUWCAABR-UHFFFAOYSA-N 465.602 2.286 30 10 JEEE CC(=O)N1CCN(CCn2c(COc3cccc(C)c3)nnc2N2CCC(CC#N)CC2)CC1 1706004190 FENQBUKBOWHIHT-UHFFFAOYSA-N 465.602 2.460 30 10 JEEE C[C@H]1C[C@@H](C)CN(CCCn2c(-c3cccc(C#N)c3)nnc2N(C)CC(=O)N2CCOCC2)C1 1707971935 HGFSDPFDFWCPOQ-OYRHEFFESA-N 479.629 2.480 30 10 JEEE CN1CCN(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCC(CCC(N)=O)CC2)CC1(C)C 1711281128 HTHIRQGMSHZHGV-UHFFFAOYSA-N 478.645 2.325 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCOC1CCOCC1 1722278389 DJNKVLAMHHHTHJ-SFHVURJKSA-N 475.615 2.239 30 10 JEEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1ncnn1C(C)(C)C 1722300597 FDESZQPMAZSUSU-NRFANRHFSA-N 475.645 2.496 30 10 JEEE C#CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(NS(=O)(=O)CC)CC1 1722330898 XSDPKHDAVQBFAI-UHFFFAOYSA-N 461.588 2.284 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCOc1ncccc1F)[C@H]1CCS(=O)(=O)C1 1722359966 QXFCSICPCABJMS-INIZCTEOSA-N 459.503 2.086 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@]1(C)CCCS1)[C@@H]1CCS(=O)(=O)C1 1722365807 PKOADJYCUZFDCI-QIJUGHKUSA-N 482.672 2.231 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@@H]1CCO[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1722369751 GBKKTQSMTNBMRT-NSHGMRRFSA-N 476.574 2.438 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC[C@](C)(O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1722372558 ZBOADNMJRLTZGP-RDGATRHJSA-N 496.637 2.064 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCCN2CCC(O)CC2)CC1 1722438972 JHPKMINFSIEITP-UHFFFAOYSA-N 457.022 2.124 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2CCN2CCOCC2(C)C)CC1 1722445638 UIITVDOSGCYGDK-UHFFFAOYSA-N 464.614 2.330 30 10 JEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 1722458410 IXOHMXNCDWGDBU-DOTOQJQBSA-N 488.017 2.499 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1722495152 PZEHTRDJAJUYMK-UHOSZYNNSA-N 477.512 2.479 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1722508548 JMURPMFMDJQIKT-KNQAVFIVSA-N 474.631 2.105 30 10 JEEE C=CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cnccn2)CC1)c1ccccc1 1722594020 DQHRGRRWDWYENF-TZIWHRDSSA-N 496.641 2.365 30 10 JEEE C=CCCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1722600819 BLSRWBHVESINJN-INIZCTEOSA-N 458.950 2.110 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCN(c2nc(CC)ns2)CC1 1722696581 PBALRUIRXRSGRA-UHFFFAOYSA-N 456.551 2.127 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CCC(N)=O)CC1 1722707405 OIOHWAXKTCHUFQ-LJQANCHMSA-N 452.559 2.324 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCC(C(=O)N2CCCC2)CC1 1722726469 ANESNUHZCIOKPJ-UHFFFAOYSA-N 472.615 2.088 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CC[C@@](O)(c2ccc(C)cc2)C1 1722729527 NQLZQCQUURAHFA-DEOSSOPVSA-N 467.595 2.271 30 10 JEEE C[C@@H](CCn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1)N1CCCCC1 1723798820 DVSNPMRNWUSURS-IBGZPJMESA-N 451.575 2.320 30 10 JEEE COCCn1cc(Cn2c(COc3ccc(OC)cc3)nnc2N2CC[C@@](F)(C#N)C2)cn1 1730773080 CQOAXOQPHJNCQZ-JOCHJYFZSA-N 455.494 2.199 30 10 JEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)NC2CCCCC2)CC1 1740589750 BBKRCUAMHHZKDW-IBGZPJMESA-N 461.632 2.259 30 10 JEEE C#CCCCn1c(COc2ccccc2F)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1740596207 WYCQFSBXNDZNCH-SFHVURJKSA-N 461.563 2.414 30 10 JEEE C#CCN(CCOC)c1nnc(Cc2c[nH]c3ccccc23)n1CC1(S(C)(=O)=O)CCC1 1740686486 JRNPPJIJXKTUJX-UHFFFAOYSA-N 455.584 2.404 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OC)n2CC(F)(F)F)CC1 1740707824 RJJFIHYFICXFMG-UHFFFAOYSA-N 451.449 2.394 30 10 JEEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1740713014 BUWFBXMQDWIQPD-UHFFFAOYSA-N 483.001 2.180 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 1740750375 PLMMRCDQZWUNQR-TZIWHRDSSA-N 480.613 2.421 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccn2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1740757795 RRPOPJOFJMCHRM-AZUAARDMSA-N 460.604 2.087 30 10 JEEE C=C(Cl)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@H](NC(C)=O)C1 1740808969 FHJGWVLRHUOSDA-HNNXBMFYSA-N 451.984 2.096 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](OCC(C)C)C1 1740850424 GCEVBFBMMOPPPA-OALUTQOASA-N 469.652 2.465 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccccc1)N1CCOCC1 1740932771 VNFPFPQVJIEZAC-VXKWHMMOSA-N 471.627 2.432 30 10 JEEE C=CCN(CCOC)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1740939037 PHGVOGXKVHRYBF-FQEVSTJZSA-N 499.431 2.204 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC(O)(c2ccccc2)CC1 1740992603 RLOQXEPHYZZCKF-IBGZPJMESA-N 460.600 2.261 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCN(CC(C)C)C(=O)C1 1740994504 PTPVJFCVYDLHRY-UHFFFAOYSA-N 484.626 2.256 30 10 JEEE C=CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1740996442 BXSNALVDVOAXTD-UHFFFAOYSA-N 486.598 2.402 30 10 JEEE C=CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1741005705 ORULACKLUPEEHD-OAQYLSRUSA-N 482.610 2.476 30 10 JEEE C[C@H](CC#N)N(C)c1nnc(-c2cc(F)ccc2Br)n1CCS(=O)(=O)N(C)C 1741797792 APDHQQROJAXWJY-GFCCVEGCSA-N 473.372 2.476 30 10 JEEE CCS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CC(C)(C)OC(C)(C)C1 1747447512 GLWFKYBUZXSQBW-UHFFFAOYSA-N 476.603 2.062 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(OC)c(OC)c1OC 1748637528 BIRGMHYLIVTUNN-HNNXBMFYSA-N 450.499 2.457 30 10 JEEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](COC)O[C@H](C)C1 1749195724 YSUVJICMJJKFSS-SQNIBIBYSA-N 451.568 2.403 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cnccn2)n1CC1(C(N)=O)CCOCC1 1749532506 WZPPDSMVWLZQBO-UHFFFAOYSA-N 458.526 2.081 30 10 JEEE C[C@H]1CN(CCCn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H](C(N)=O)C2)C[C@@H](C)O1 1752397653 GRXJNAZBEPPJHU-LVCYWYKZSA-N 451.575 2.018 30 10 JEEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1C[C@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1760179714 XQQUVZPWEVZOEY-FSGKZVOOSA-N 475.590 2.096 30 10 JEEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1cc(F)ccc1N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1760181782 BOAFYSITFBOYCC-GHTZIAJQSA-N 489.617 2.442 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCN1CCC[C@H]1C(=O)N(C)C 1760214344 KORPJJUOSXEXHT-QFIPXVFZSA-N 490.608 2.122 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2OCC[C@H]2COC)n1CCc1n[nH]c(C)n1 1760244101 XSPJFBRWSWBOBO-RXVVDRJESA-N 453.522 2.450 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccc(S(C)(=O)=O)c3)n2[C@@H]2C[C@@H]2C)n1 1760252884 SRPHDCOOZWALQR-LAUBAEHRSA-N 468.583 2.412 30 10 JEEE C#CCN1CCN(c2nnc(CCCc3ccccc3)n2C[C@H](C)N2CCN(CC)CC2)CC1 1760263308 WCYRSKSYNAHMHB-DEOSSOPVSA-N 463.674 2.235 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](OC)c2ccc(F)cc2)CC1 1760268587 LVIJMELDBQYWND-OAQYLSRUSA-N 465.533 2.171 30 10 JEEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1760275769 IHLQQTCUGHHOMB-JOCHJYFZSA-N 483.554 2.034 30 10 JEEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2cc(OC)cc(OC)c2)CC1 1760346257 PSCXMKJWESOBSP-LJQANCHMSA-N 475.615 2.096 30 10 JEEE C=C(Cl)Cn1c(-c2ccccn2)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1760371642 GROCUYBHTZDYMU-OIISXLGYSA-N 495.005 2.219 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccccc2Cl)C1 1760542565 IMUNIGZCBJOUOT-MJGOQNOKSA-N 482.006 2.094 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1760552404 MJNDESAQIUDYOD-KKSFZXQISA-N 450.536 2.069 30 10 JEEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC=C(Br)C1 1760560573 YTSXUMUHSPDGPB-GFCCVEGCSA-N 450.428 2.296 30 10 JEEE O=C(C1=C(O)C(=O)N(CCCO)[C@H]1c1ccc(O)c([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 1862609998 AFDAKGXBMCFEFC-IBGZPJMESA-N 456.407 2.032 30 10 JEEE CCOc1ccc(-n2nnc(C#N)c2NC(=O)c2ccc(N3C[C@H](C(=O)O)CC3=O)cc2)cc1 1870150711 HPOXXXGPDKUWKI-OAHLLOKOSA-N 460.450 2.227 30 10 JEEE CC(=O)Nc1cccc(-n2nnc(C#N)c2NC(=O)CN2C(=O)COc3ccc(Cl)cc32)c1 1870156249 CTPQRNOXNDHKHE-UHFFFAOYSA-N 465.857 2.115 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)COc2cn(CCOC)c(CN3CCCC3)cc2=O)nc1C 1870323532 VVFYWSYNGPFAMN-UHFFFAOYSA-N 490.582 2.216 30 10 JEEE C=CCn1cc(OCC(=O)Nc2cc(C)ccc2OC)c(=O)cc1CN1CCC(C(N)=O)CC1 1870425145 YTFQQGXHRXOPRO-UHFFFAOYSA-N 468.554 2.066 30 10 JEEE CCCCCCCCn1cc(OCC(=O)NCCOC)c(=O)cc1CN1CCN(C)CC1 1870519653 APXJYKQLSYXOFA-UHFFFAOYSA-N 450.624 2.098 30 10 JEEE C=CCn1c(C(=O)NC[C@@H](c2ccc(O)cc2)N(C)C)cc2c(N(CCOC)CCOC)ncnc21 1873595852 VJDBHLMKDPBWSG-QHCPKHFHSA-N 496.612 2.455 30 10 JEEE CCCCc1nnc(SCC(=O)OC)n1/N=C/c1ccc(OCCN2CCOCC2)c(OC)c1 1874478709 NVIOILDLSHMKGC-LFVJCYFKSA-N 491.614 2.488 30 10 JEEE N#Cc1cccnc1OCC1CCN(S(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)CC1 1891674995 LRSHIBXDZIWXLZ-UHFFFAOYSA-N 454.508 2.086 30 10 JEEE N#Cc1ccnc(OCC2CCN(C(=O)CNS(=O)(=O)c3ccc(Br)cc3)CC2)c1 1892034994 NFMLRBOLKQHQOB-UHFFFAOYSA-N 493.383 2.312 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2[C@H](NS(=O)(=O)c3sccc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2255748684 HCYLENLEGAZAFW-NHAGDIPZSA-N 470.422 2.191 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]1NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2255751128 VKNQUYHEPVUOQR-SJORKVTESA-N 452.382 2.320 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](NS(=O)(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2255752676 LFJKJHAZUDMUHY-IYBDPMFKSA-N 452.382 2.320 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H]1C[C@@](F)(CNC(=O)OC(C)(C)C)C1 2267218066 PUBCZMCJOWOFKD-VVONHTQRSA-N 451.348 2.450 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@](O)(CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)C1 2267278581 ANJRTMMOZIUWJI-QFIPXVFZSA-N 450.341 2.071 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CNS(=O)(=O)c3cc(B4OC(C)(C)C(C)(C)O4)cs3)[C@@H]2C1 2267367938 AZNYVDDRRKXOJV-PHZGNYQRSA-N 484.449 2.439 30 10 JEEE COc1ccc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)O)c(B2OC(C)(C)C(C)(C)O2)c1 2268656700 ZVUOEXWJRYHDDK-DYVFJYSZSA-N 450.341 2.207 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@]2(C[C@H]2C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2268705521 IHRARXISSYMGNC-ZSEKCTLFSA-N 464.397 2.235 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)c(F)c2)C1 2281757019 BVAQPPQAGNQWHM-QAPCUYQASA-N 464.343 2.083 30 10 JEEE CC(C)(C)OC(=O)N1CC(CCO)(NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)c(F)c2)C1 2281791935 HAQBDHJIVYPYFE-UHFFFAOYSA-N 464.343 2.227 30 10 JEEE Cc1cc(C(=O)NC[C@H]2C[C@H](NC(=O)OC(C)(C)C)[C@H](O)C2)oc1B1OC(C)(C)C(C)(C)O1 2281965630 CXWMKRVVOMYQKL-HRCADAONSA-N 464.368 2.281 30 10 JEEE Cn1nc(C(=O)N2C[C@@H]3CC[C@H](C2)C3NC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2281976538 CSHBOPUXANCNOK-MVVMVCHASA-N 460.384 2.095 30 10 JEEE C[C@@H](CNC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 2282014844 JBCRZOSCUGQEJY-FPTDNZKUSA-N 481.424 2.180 30 10 JEEE Cc1nc(C(=O)NC2(CN)CCN(Cc3ccccc3)CC2)c(B2OC(C)(C)C(C)(C)O2)s1 2282025308 NBDGQDREPHYJJM-UHFFFAOYSA-N 470.448 2.474 30 10 JEEE CC(C)(C)OC(=O)N1CCC(CO)(CNC(=O)c2occc2B2OC(C)(C)C(C)(C)O2)CC1 2282035667 YFOAYHRGKUMGPO-UHFFFAOYSA-N 464.368 2.318 30 10 JEEE CC(C)(C)OC(=O)N1[C@H]2CCC[C@H]1CN(C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)C2 2282173489 JRFFUYJLVXMGSN-HOTGVXAUSA-N 458.368 2.390 30 10 JEEE CC(C)(C)OC(=O)NCC[C@H]1CN(C(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CCO1 2282188766 AJLJBZYTDBWOSC-SFHVURJKSA-N 461.368 2.137 30 10 JEEE C[C@H](NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)o1)C1(O)CCN(C(=O)OC(C)(C)C)CC1 2282196067 VQMVKZPSKNILNN-HNNXBMFYSA-N 464.368 2.459 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@@](F)(CNC(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)C1 2282197166 KQLFQRQSEPIFCN-JOCHJYFZSA-N 468.331 2.284 30 10 JEEE C[C@@H]1CN(S(=O)(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)CC[C@@H]1NC(=O)C(F)(F)F 2282345066 NQQNYBVNOQVDPQ-CJNGLKHVSA-N 476.326 2.063 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(F)ccc2B2OC(C)(C)C(C)(C)O2)[C@@H](CO)C1 2282395133 IJHIJJURGOLPHR-MRXNPFEDSA-N 464.343 2.179 30 10 JEEE CN(C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1)[C@H]1CCC[C@H]1CNC(=O)OC(C)(C)C 2282554140 YVHOTOLPQSKJND-RDJZCZTQSA-N 462.400 2.485 30 10 JEEE CC(C)(C)OC(=O)N1CC2(CC[C@@H](CNC(=O)c3csnc3B3OC(C)(C)C(C)(C)O3)O2)C1 2282614913 VSCUGNGQFHJNEU-AWEZNQCLSA-N 479.408 2.341 30 10 JEEE Cn1nc(C(=O)Nc2ncccc2CNC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2282627807 JUFYWDMWHSYYCS-UHFFFAOYSA-N 457.340 2.391 30 10 JEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H](CC(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)O1 2283976301 BOMIWIJFKSAJFM-LSDHHAIUSA-N 481.424 2.473 30 10 JEEE C[C@@H](NC(=O)[C@@H](C)N1CC(NC(=O)OC(C)(C)C)C1)c1nscc1B1OC(C)(C)C(C)(C)O1 2284061744 YZCAWUNLAHIMKU-ZIAGYGMSSA-N 480.440 2.217 30 10 JEEE COc1ccc([C@@H]2C(=C(O)c3ccc([N+](=O)[O-])cc3)C(=O)C(=O)N2CCOCCO)cc1OC 2296938559 SDECZCAXCXKPPP-HXUWFJFHSA-N 472.450 2.043 30 10 JEEE CN(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C)[C@@H](CNC(=O)OC(C)(C)C)C(F)(F)F 2362464485 IIWNTKJSKRNVLP-LBPRGKRZSA-N 476.305 2.247 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@H]2C[C@H](NC(=O)c3coc(B4OC(C)(C)C(C)(C)O4)c3)C[C@@H]21 2368868487 YVZAIBGZDXOZNU-IXDOHACOSA-N 462.352 2.476 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)[C@@H](CC)n2c(N)nnc2SCC(=O)OCC)nc1C 32535787 LJQBLKMMLUWVHK-LLVKDONJSA-N 468.561 2.213 30 10 JEEE C=CCn1nc(C)c(/C=N/Nc2nc(SCC(=O)NCc3ccc4c(c3)OCO4)n[nH]2)c1C 59831138 WXTRLGHZEBLCGR-AUEPDCJTSA-N 468.543 2.387 30 10 JEEE COC(=O)c1c(C)oc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)c1C#N 170521578 IYMDEPSCOKNMBJ-UHFFFAOYSA-N 467.887 2.173 30 10 JEEE C=CCN1C(=O)C(=c2sc3n(c2=O)[C@@H](c2cccs2)C(C(=O)OC)=C(C)N=3)c2ccccc21 252671317 NGBNYEPCCQWNCS-IBGZPJMESA-N 477.567 2.373 30 10 JEEE CN(C)c1ccc(N2C(=NC(=O)c3ccc4c(c3)OCO4)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 254383279 BIEDCAJMZLHPNA-LPHOPBHVSA-N 459.549 2.397 30 10 JEEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCCCCNC(=O)C[C@@H]2c2ccccc2)cc1 257177327 DTMXPIASQGTYAT-OAQYLSRUSA-N 454.552 2.097 30 10 JEEE C=CCNC(=O)CN1CCN(C(=O)c2cccn2-c2cccc(I)c2)CC1 521799549 STCMYQGCPRGBCX-UHFFFAOYSA-N 478.334 2.142 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)C[S@](=O)CC(=O)Nc3nnc(C(C)C)s3)cc21 586307883 VBQRPQBMRRUZJX-HKBQPEDESA-N 462.553 2.143 30 10 JEEE C#Cc1cccc(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3cc(C(=O)OC)c(C)o3)c2=O)c1 726579792 FSIDIPPQELQLEF-UHFFFAOYSA-N 472.522 2.441 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)N(C)CCN3CCN(C(=O)OC(C)(C)C)CC3)cc2C1=O 729397556 JMDXWEPVORQGBS-UHFFFAOYSA-N 456.543 2.093 30 10 JEEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1[C@H](C)c1ccccc1 729668704 BZPOXUBKKDKYIU-QGZVFWFLSA-N 457.559 2.194 30 10 JEEE C#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC[C@](O)(C(=O)O)C1 757344915 FCEIUTBVAYGHRM-BKMJKUGQSA-N 462.502 2.355 30 10 JEEE COc1ccc(NC(=O)CSc2nnc(NN=C(C)c3ccc4c(c3)OCO4)n2N)c(OC)c1 1083852559 TYEPLAXKCAZMEW-UHFFFAOYSA-N 485.526 2.305 30 10 JEEE C#CCNC(=O)C1CCN(C(=O)N[C@H](CC)c2ccccc2OCC(=O)N2CCCC2)CC1 1221165023 CKLMYTQPPPIERS-OAQYLSRUSA-N 454.571 2.310 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2nncn2CC)c1 1286310496 ZEKNGALXZFHYJK-VWLOTQADSA-N 492.584 2.035 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCS2)c1 1286312416 XTHCFCQZTMBMKX-MJGOQNOKSA-N 473.624 2.132 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@]2(OCC)CCOC2)n1C[C@@]1(O)CCO[C@H]1C 1286455171 SJJUIUNPHKMDFV-NWVWQQAFSA-N 458.534 2.249 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CCCN2C[C@H](C)O[C@@H](C)C2)CC1 1286492758 AAMPZTACYHHTQY-OALUTQOASA-N 499.685 2.099 30 10 JEEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1286535894 LVMFQPMTLRDZBV-HOTGVXAUSA-N 496.410 2.308 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1286550581 IUJXSUAVOFUTFD-FKBYEOEOSA-N 450.543 2.139 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1286781559 UJXIDDJSWNBTPX-MOPGFXCFSA-N 453.591 2.368 30 10 JEEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCS[C@@H](CC)C1 1286788126 QLOYCUMLKFEZHB-SFHVURJKSA-N 456.620 2.086 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Br)cc2)nnc1N1CCCN(CC)C(=O)C1 1286815228 PAPLXXXRZOLNBX-UHFFFAOYSA-N 496.431 2.367 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@H](C)[C@@H](C)C1 1286818261 FGSWESALKPVXNT-IRXDYDNUSA-N 480.660 2.321 30 10 JEEE Cc1cccc(-c2nnc(N3CCC(Oc4cccc(C#N)c4)CC3)n2CCNS(C)(=O)=O)n1 1289959093 GYYIHBGYGJMIJP-UHFFFAOYSA-N 481.582 2.117 30 10 JEEE CCN(CC)[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1295569846 HWIVHTPVVXMMKK-QUCCMNQESA-N 466.590 2.015 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(NC(=O)C2CCC2)c1 1300308783 QDLPMWKISPAQJH-APWZRJJASA-N 455.584 2.425 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCCCC1(F)F)[C@@H]1CCS(=O)(=O)C1 1300480028 WZZKQXLJEMVDBH-IAGOWNOFSA-N 492.552 2.378 30 10 JEEE C#CCN(c1nnc(C2CCCC2)n1CCCOC[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 1300495075 CKGYQVDRPWFDAN-VQTJNVASSA-N 450.605 2.148 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@](C)(O)c1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 1300503249 BWFZYIKGBVHPSM-WOIUINJBSA-N 479.002 2.317 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1CC1([S@@](C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1300503841 GHGYKKPZIZNNQE-PSTIOWGYSA-N 490.651 2.012 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccccc1OC)N1CCCC1 1300537464 HKWUCIAASYDYJM-RBBKRZOGSA-N 481.622 2.099 30 10 JEEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](CC)Oc2cccc(F)c2)CC1 1300707070 VJNAZDUKURBNFY-FQEVSTJZSA-N 454.550 2.152 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(O)(c2ccccc2)CC1 1300761730 FAIGHVODWPYEMZ-SFHVURJKSA-N 460.625 2.035 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(CC)CCS(C)(=O)=O 1300869595 MUNCXVKTBLQQNH-ICSRJNTNSA-N 496.655 2.201 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CCOC)CC1 1300897758 UUKILMPECUVFAX-ZJSXRUAMSA-N 466.586 2.478 30 10 JEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1ccccc1)CC1CCOCC1 1301458889 ILJHXYIECSKKRS-OAQYLSRUSA-N 475.615 2.230 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1301484188 CVJZJSJNBWDXRG-GOSISDBHSA-N 488.658 2.310 30 10 JEEE Cc1cc(C)n(Cc2nnc(N3CCC[C@@](C)(C#N)C3)n2CCc2ccc(S(N)(=O)=O)cc2)n1 1304754235 HFHIEDBLGFPNMZ-QHCPKHFHSA-N 482.614 2.160 30 10 JEEE CCOC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1314043468 FUFMVBJHRZQJEU-MRXNPFEDSA-N 493.609 2.041 30 10 JEEE COCCN1C[C@@H](Cn2c(CCCc3ccccc3)nnc2N2CC[C@](F)(C#N)C2)CC1=O 1316120962 FCCPMALZBOAADO-RDPSFJRHSA-N 454.550 2.390 30 10 JEEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1358903853 LWBQWFLZIKAPEE-SFHVURJKSA-N 483.573 2.459 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)c(Br)c2)n1CC1(O)CC1)[C@H]1CCS(=O)(=O)C1 1358958950 YVFGFHIEMNUTKH-INIZCTEOSA-N 479.400 2.168 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCN(CC(F)(F)F)C1)[C@@H]1CCS(=O)(=O)C1 1358962786 WZCGUNBVZLHYDM-KURKYZTESA-N 489.564 2.031 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CCCN1C[C@H](C)C[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1358965577 XJXZBWVSWIRGTG-MQSCRBSSSA-N 484.670 2.259 30 10 JEEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC[S@](=O)C(C)(C)C 1358981832 ZHPUMQIHBBASCS-UMSFTDKQSA-N 480.682 2.263 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2Cc2nccc(C(F)F)n2)CC1 1359036622 BYIHRLNFJGPRDO-UHFFFAOYSA-N 453.497 2.409 30 10 JEEE C=CCCCCn1c(CSc2ccc(C)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1359207043 XHABIALYHBNNMY-SFHVURJKSA-N 454.600 2.382 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCN([C@H](C)c2ccc(F)cc2F)CC1 1359298051 KSSGTVDVNQDNPT-MRXNPFEDSA-N 470.528 2.142 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H](C(N)=O)C1 1359304430 XYQINDRZKCZVIO-KRWDZBQOSA-N 454.575 2.159 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccn3C)n2CCNS(=O)(=O)c2ccc(C)s2)C1 1359319321 XGXNGMMQVAZFBJ-QGZVFWFLSA-N 476.628 2.413 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1359331953 LEBDHTAUJHEZFZ-IRXDYDNUSA-N 469.608 2.224 30 10 JEEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 1359341337 SYPMOVKVUBSBNR-HNNXBMFYSA-N 461.617 2.443 30 10 JEEE C=CCSCCn1c(N2CCN(S(=O)(=O)Cc3ccon3)CC2)nnc1C(C)(C)C 1359346366 JSWPMOIYDZJXHD-UHFFFAOYSA-N 454.622 2.135 30 10 JEEE CC(C)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1)N1CCCC1 1359658486 CNSMMFCYHWWCSU-JOCHJYFZSA-N 485.658 2.409 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCCN1CCCC[C@@H]1C 1360237534 HYPJUQKAPWWRPD-FQEVSTJZSA-N 479.633 2.274 30 10 JEEE CS(=O)(=O)C1(Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CCC(C#N)CC2)CC1 1505118241 GWJNTRHDMJNCTK-UHFFFAOYSA-N 476.990 2.179 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(N2CCN(CC)CC2)nc1 1507543612 WYZFSRAQUHPZLC-HXUWFJFHSA-N 461.618 2.183 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H](CC)Oc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1507622331 FDSUSEFCVJJKTJ-MSOLQXFVSA-N 491.589 2.040 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1Cc1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 1507623889 YTYQLVRAHUEHDM-QGZVFWFLSA-N 484.969 2.254 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1CCCCN1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1507627129 CRGZVHBKMHINNL-OAQYLSRUSA-N 470.643 2.479 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1C[C@@H](c1cccs1)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1507635533 WWWAXVVQPCLXOE-PMACEKPBSA-N 491.683 2.238 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN1CCC[C@@H](C)C1 1507707597 XWNBWJIIMAGZDC-LJQANCHMSA-N 459.616 2.167 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(c2ccc(OC)cc2)CCC1 1507710880 LKLLHUZYCVODFL-LJQANCHMSA-N 472.611 2.397 30 10 JEEE C=CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1508065638 PQRLNRBCLWBYQP-QHCPKHFHSA-N 465.602 2.146 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC[C@H](Oc3ccccc3)C2)nnc1[C@@]1(OCC)CCOC1 1508096981 FFLJVRXXDCYBOH-GBXCKJPGSA-N 455.559 2.280 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(Oc2ccc(C)cc2)CC1 1508140028 GAOHQAGIQYVOGM-FQEVSTJZSA-N 473.599 2.186 30 10 JEEE CC(C)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)N1CCOCC1 1508862703 GINJFQGRDQQEDI-KNKQGSTJSA-N 488.658 2.431 30 10 JEEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1)[C@@H]1CCS(=O)(=O)C1 1539216248 PUQXRUHJJYCZMK-FPCVCCKLSA-N 473.521 2.150 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@H](CC)OC)[C@@H]1CCS(=O)(=O)C1 1539230286 LIGOUBVXVNMGQA-MSOLQXFVSA-N 450.536 2.048 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[C@@H](C)N(C)Cc2ccccc2)CC1 1539477730 WVYLGWJQXNBICP-OFNKIYASSA-N 491.640 2.106 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2CCCCN2CCOCC2)CC1 1539481837 GUGVHCIDWBYEQP-UHFFFAOYSA-N 478.641 2.256 30 10 JEEE C#CCSCCn1c(N2CCN(C3CCN(C(C)C)CC3)CC2)nnc1[C@@]1(OCC)CCOC1 1539531237 SOCJKKXRTJDTFP-RUZDIDTESA-N 490.718 2.291 30 10 JEEE C=C(C)Cn1c(COc2ccccc2OCC)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1539717779 YGMDRCROSDIVND-UHFFFAOYSA-N 470.574 2.406 30 10 JEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1539722081 JWAQJAGPQNTJGD-UHFFFAOYSA-N 462.595 2.412 30 10 JEEE C=CCN1CC[C@H](N(C)C(=O)C2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)C1=O 1539965245 YFKKDNXWGUPYKB-QFIPXVFZSA-N 455.580 2.486 30 10 JEEE C=CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCCCS1(=O)=O)C1CC1 1540099179 SEIBKKDZRIRQIM-LJQANCHMSA-N 464.613 2.471 30 10 JEEE C=C(C)Cn1c(SCC(=O)N2CCC(NS(=O)(=O)CC)CC2)nnc1-c1ccco1 1540799855 WSGNOTUKCSUWMO-UHFFFAOYSA-N 453.590 2.137 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N(C)CCN1CCOCC1 1540864429 ZVRGXTOBCNLLFS-UHFFFAOYSA-N 477.613 2.423 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1540874956 XAPREPYQZFZDCS-UHFFFAOYSA-N 459.510 2.003 30 10 JEEE C=CCNC(=O)Cn1c(N2CCN(Cc3ccccc3)C[C@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 1540876164 JBWNVDOUQUNAMQ-QFQXNSOFSA-N 482.629 2.332 30 10 JEEE COCC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCCN(C(=O)C(C)C)CC1 1555420710 FXJGXVCQXQHKEU-XMMPIXPASA-N 454.575 2.299 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2N(C)CCCC2(C)C)c1 1587692880 LTGACQYMUFHCEE-RTWAWAEBSA-N 477.613 2.406 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC(C)(C)OC)[C@@H]1CCS(=O)(=O)C1 1588035419 UETQPBDNVAONKM-QGZVFWFLSA-N 492.598 2.023 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C)N2CCC[C@@H](C)C2)CC1 1588884716 KYWKDXGZEYJZEA-WOJBJXKFSA-N 492.628 2.012 30 10 JEEE C#CCSCCn1c(-c2ccccc2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1589037333 XWWQEFHCQFDBDR-KNQAVFIVSA-N 452.628 2.300 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCNC(=O)c2ccc(C)c(F)c2)CC1 1594237204 NSCVMSZPJRGJGZ-LJQANCHMSA-N 475.590 2.460 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1595497190 SLZGTQQNZRGJMH-UHFFFAOYSA-N 494.506 2.442 30 10 JEEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(S(C)(=O)=O)cc1 1597739264 AWNKAFCYPULQBA-MISYRCLQSA-N 473.599 2.377 30 10 JEEE CN(C[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@](C)(O)c2ccco2)C1)S(C)(=O)=O 1618101603 GRKKGCMOFMVMSO-YADARESESA-N 498.609 2.425 30 10 JEEE COc1ccc(O[C@H](C)Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@@H](C#N)C2)cc1 1619301977 FAAGEASIWGOXMB-APWZRJJASA-N 463.498 2.130 30 10 JEEE C=CCC[C@@H](NC(=O)c1cc(S(N)(=O)=O)cc(Br)c1Cl)C(=O)OCC 1635698937 QGNFPWRJMUKGNM-GFCCVEGCSA-N 453.742 2.378 30 10 JEEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2n[nH]c(C)c2-c2ccc3c(c2)OCCO3)cc1 1637959203 VVXACMFVXLFHBM-UHFFFAOYSA-N 452.492 2.320 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2ccccc2)CCC1 1689852654 IQJBNUGNOUSXOQ-ICSRJNTNSA-N 457.600 2.191 30 10 JEEE C#CCCCCn1c(N2CCN3C(=O)N(CC(C)C)C[C@H]3C2)nnc1[C@@]1(OCC)CCOC1 1689907077 ZUSXPTUMSZPYEI-HYBUGGRVSA-N 458.607 2.316 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@]2(O)CCO[C@@H]2C)CC1 1690132412 PJCMTGNEXREWFI-FQRUVTKNSA-N 467.614 2.450 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(N(C)C)cc2C)CC1 1690135263 TUGDQIYWIIJWBD-GMAHTHKFSA-N 452.603 2.180 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2CCNC(=O)C(C)(C)C)CC1 1690148792 VGSWOIOPDZCVKG-UHFFFAOYSA-N 480.613 2.006 30 10 JEEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)Cc2cccc(OC)c2)CC1 1690169953 UFVJUOQXFMBISJ-UHFFFAOYSA-N 477.594 2.001 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCCN1CCC[C@H](C)C1 1690189968 HTQATFXOCJFZMR-NNMXDRDESA-N 450.653 2.393 30 10 JEEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1690230484 FRFOBTPRDNOYSB-UHFFFAOYSA-N 489.465 2.403 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C2CCC2)nnc1N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 1690245408 IAFLOFGZIHNVFB-ACRUOGEOSA-N 481.663 2.404 30 10 JEEE Cc1cc2cc(Cn3c([C@H]4CN(S(C)(=O)=O)CCO4)nnc3N(C)C[C@@H](C)C#N)ccc2[nH]1 1693013486 CVGYNTCMXSJXMN-MGPUTAFESA-N 471.587 2.045 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cccc(C(=O)NC)c1 1705489607 SAYUUBBXVKJJCW-MRXNPFEDSA-N 465.583 2.104 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCc1nnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1705570435 NLJCBDGORMSUNL-GOSISDBHSA-N 474.587 2.037 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1705583510 ZTEULBQDMGLVCK-OKZBNKHCSA-N 487.548 2.053 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccc(Cn3cccn3)cc2)CC1 1705632428 PRINDZOPJXHSFK-UHFFFAOYSA-N 474.613 2.245 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@H]2CCCSC2)CC1 1705634327 RPZNFUXEWJYQQK-IBGZPJMESA-N 488.683 2.094 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2C[C@@H]2CCOC[C@@H]2OC)CC1 1705651061 IGJBATJRQDKQQU-UGKGYDQZSA-N 485.560 2.014 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1705898572 QCWQLVVNMMFEBB-HOTGVXAUSA-N 456.572 2.053 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)C(C)C)C1 1705925687 SOLRFTWUBWHUEL-ROUUACIJSA-N 455.625 2.075 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1705932391 SFPRDJWPWOTJHU-UHFFFAOYSA-N 483.554 2.176 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1705936251 MNYCFIMDRPXYBN-ROUUACIJSA-N 483.635 2.076 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N(C)Cc1ccc(OC)c(O)c1 1705936695 WPOGVHMOCNJAQN-LJQANCHMSA-N 450.561 2.471 30 10 JEEE C=CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)OC)CC1 1705946955 VRTNGWJOUBTGTP-KRWDZBQOSA-N 496.634 2.394 30 10 JEEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1722326125 FHCOOKLMEYWLQX-IBGZPJMESA-N 461.574 2.465 30 10 JEEE C#CCCCn1c(-c2ccc3c(c2)OCO3)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1722329984 OQNOLJFQRIDIKB-GOSISDBHSA-N 460.556 2.117 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CCN2CCC[C@@H]2C)CC1 1722434326 PNKRIEQNLCDWLZ-IBGZPJMESA-N 468.602 2.210 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(OCCC)c(OC)c2)CC1 1722448454 UUMLTBDPZIEGNO-HXUWFJFHSA-N 494.596 2.041 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCOc2ccc(F)c(F)c2)C1 1722719549 VVDDXLMSQPUKDG-RDJZCZTQSA-N 468.526 2.319 30 10 JEEE C=CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1722738410 JBCJFKJYMSEBRM-KRWDZBQOSA-N 498.700 2.367 30 10 JEEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC2CC2)C[C@@H](C(F)(F)F)O1 1726722063 CKWRFKUTBGXAKR-KSSFIOAISA-N 478.475 2.411 30 10 JEEE CC[C@@H](C)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCN1CCN(C(C)=O)CC1 1727004983 CNYXZZIEOSFYJS-HXUWFJFHSA-N 464.618 2.154 30 10 JEEE CCN(CCCn1c(Cn2ccc3ccccc32)nnc1N1CC[C@](F)(C#N)C1)S(C)(=O)=O 1728497903 HNLKACBBTRLLSL-QFIPXVFZSA-N 473.578 2.395 30 10 JEEE COC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(CS(C)(=O)=O)CC2)C1 1729748855 FUOHUFVCCDVRHP-SFHVURJKSA-N 457.556 2.031 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H](OC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1740619175 MNDGPNDVRRLAIC-NQIIRXRSSA-N 476.599 2.260 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCO[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1740620819 RRXAKXWNDXQSPB-JZXOWHBKSA-N 463.991 2.435 30 10 JEEE C#CCN(c1nnc(COc2ccccc2CC)n1C[C@H]1OCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1740627298 GGKIMLJHMWLQPB-KAGYGMCKSA-N 472.611 2.471 30 10 JEEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1C[C@H](C1CC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1740628900 WEIJTXJTOKIVLM-FGZHOGPDSA-N 485.654 2.441 30 10 JEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1ccc(F)cn1 1740632311 HWSMDVAKYBFUBE-UHFFFAOYSA-N 451.531 2.202 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCC2CCOCC2)CC1 1740690091 NKOKHLIQUZWFHB-UHFFFAOYSA-N 471.005 2.433 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2Cc2nccn2C(F)F)CC1 1740700046 DGXJIXCXPDLMPC-UHFFFAOYSA-N 457.485 2.261 30 10 JEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 1740716673 WQENVSDQQNTALU-ROUUACIJSA-N 467.599 2.154 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1740761247 VCWOCANVYQSXJP-UNMCSNQZSA-N 474.631 2.011 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCOC2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1740763101 YQRMYLFZLLGBAJ-ZJOUEHCJSA-N 481.663 2.404 30 10 JEEE C=C(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1740777704 ZYHIYDNSFYIEHY-UHFFFAOYSA-N 488.036 2.428 30 10 JEEE C=CCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1740884196 SOFLFQQZRDTWHC-RTWAWAEBSA-N 476.599 2.326 30 10 JEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1740963708 UPMUNKTZSRQMOW-MOPGFXCFSA-N 486.621 2.181 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC(n3ccc(C(F)(F)F)n3)CC2)nnc1[C@]1(OCC)CCOC1 1740965698 RPTMOXUERFNMSX-NRFANRHFSA-N 497.522 2.289 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2C[C@H](OC)C(C)(C)C2)cc1 1740966399 SKTBMSPHEALGFU-APWZRJJASA-N 463.604 2.363 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(F)(F)C1 1740970082 ZXYVJRNMXNCILE-GOSISDBHSA-N 483.541 2.070 30 10 JEEE Cc1cc(NC(=O)CN2CCN(c3nnc(-c4ccc(C#N)cc4)n3CCC(C)(C)O)CC2)no1 1742143389 CENYLIGIFHHGHO-UHFFFAOYSA-N 478.557 2.035 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccc(OC)cc2)n1CC1(O)CCN(C(C)C)CC1 1748860455 ZROVCYROYWETLK-UHFFFAOYSA-N 451.571 2.174 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(C(=O)N3CCCC3)n2C[C@H]2C[C@H](C)O[C@H](C)C2)n1 1748970433 DBDZDLNUCZIERH-WKCHPHFGSA-N 483.617 2.200 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H](C)Oc2ccc(C)cc2)CC1 1748978547 MHDAKMKRFYUZDN-BWKNWUBXSA-N 453.587 2.461 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2Cc2c(C)noc2C)CC1 1749016965 RFJYAVQLRUUHHM-UHFFFAOYSA-N 462.554 2.496 30 10 JEEE C=C(C)Cn1c(Cc2ccccc2OC)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1749196482 PVLGFTARZNBUJK-KNQAVFIVSA-N 452.603 2.442 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](C(F)(F)F)C1 1749655213 FECDTBCOMOFGRP-OAHLLOKOSA-N 471.505 2.430 30 10 JEEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2c(C)noc2C)CC1 1749898149 APBRMMKDHOVHKK-UHFFFAOYSA-N 451.531 2.150 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2CCN2CCOC[C@H]2C)c1 1760127990 SWPUOIZNUDGKNT-HXUWFJFHSA-N 473.581 2.041 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2CC2([S@@](C)=O)CCC2)c1 1760128863 VBQRESAIXJJFMJ-ZUQCGGBESA-N 455.584 2.139 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCN1CCOCC1(C)C 1760233028 OZBUNDHDCKSEHO-UHFFFAOYSA-N 463.586 2.245 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCCN(C)CC(F)(F)F)CC1 1760269251 CDJDQXKUKQIIQQ-SFHVURJKSA-N 470.540 2.022 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2CCCC2CCOCC2)CC1 1760271087 LDTFTNIPHCDOFE-UHFFFAOYSA-N 498.653 2.442 30 10 JEEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1760299641 BVKXIQVYMWQFFR-UHFFFAOYSA-N 463.384 2.058 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCN(c2cnccn2)CC1 1760316734 WJGFVLVGHPTWBX-SBHAEUEKSA-N 457.579 2.100 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCc2cccc(C(N)=O)c2)C1 1760534849 HLEJSMZZGPQBCM-IBGZPJMESA-N 461.526 2.048 30 10 JEEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCN(CCOc2ccccc2Cl)CC1 1760550626 DMBGGZZVNXAWQW-UHFFFAOYSA-N 453.996 2.042 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@]2(CCOC2)C1 1760551094 TVBMCCGXIXBIMC-GOSISDBHSA-N 470.393 2.253 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1C[C@H](OC)C(C)(C)C1 1760552905 FOMYBTXTYQBJBK-IBGZPJMESA-N 462.572 2.178 30 10 JEEE C=CCSCCn1c(COc2ccc(F)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1760569572 SHGNZQJJMUZCJU-UHFFFAOYSA-N 469.608 2.387 30 10 JEEE CC(C)C(=O)NCCn1c([C@H]2CCCCO2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1760855783 GCQMFQSBEDGJRB-JOCHJYFZSA-N 465.602 2.486 30 10 JEEE CCN(Cc1cnn(C)c1)c1nnc(-c2cccc(C#N)c2)n1CCS(=O)(=O)CC1CC1 1766758130 CAOKLDHCJDDJOR-UHFFFAOYSA-N 453.572 2.402 30 10 JEEE COc1ccc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(NC(C)=O)CC2)cn1 1768682915 CMIMSQIXFPWWOF-UHFFFAOYSA-N 461.526 2.286 30 10 JEEE CNC(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1CC1CN(C(=O)OC(C)(C)C)C1 1769302163 HNJSVBHFJBDXPO-UHFFFAOYSA-N 453.547 2.256 30 10 JEEE COCC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C(=O)OC)CC2)CCC1 1769338708 GSPFNVUWTPLORH-UHFFFAOYSA-N 454.531 2.434 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCNC(C)=O)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1 1862697923 VTEGTZRDXIFOHV-OAQYLSRUSA-N 484.505 2.435 30 10 JEEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(C(=O)O)cc2)c1 1862701523 HBXRZFXLNJUTSX-OAQYLSRUSA-N 466.490 2.304 30 10 JEEE CC[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(CCCN(C)C)C2=O)C(=O)Nc1ccc(C#N)cc1 1866610037 JUFUCZFYLFOKIJ-OAQYLSRUSA-N 461.522 2.253 30 10 JEEE CC(=O)Nc1cccc(-n2nnc(C#N)c2NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)c1 1870156064 UBBVBDREOHGAQB-UHFFFAOYSA-N 450.371 2.475 30 10 JEEE CCCn1cc(OCC(=O)Nc2sc3c(c2C#N)CCC3)c(=O)cc1CN1CCC(C(N)=O)CC1 1870323664 BNRYTXKAATWRBS-UHFFFAOYSA-N 497.621 2.395 30 10 JEEE CN(c1cc(C#N)ccn1)C1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)CC1 1891282024 HFPQYEIYEJLCCU-GOSISDBHSA-N 461.522 2.205 30 10 JEEE C[C@]12C[C@@H](OC(=O)[C@]1(C)O)[C@@H]([C@@H]1CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC(=O)[C@@]31C)C2 2043444408 XTQKMXGXXCXGMX-UXWOTWKYSA-N 484.589 2.364 30 10 JEEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C(=O)O)C1 2062870714 AJRWHHRLUPOWQA-HNNXBMFYSA-N 453.536 2.380 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H](O)CCC(=O)NCCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2180969973 IDQBOWUVVVLVJI-IBGZPJMESA-N 462.396 2.310 30 10 JEEE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@H](CNS(=O)(=O)CC2(C#N)CCOCC2)C1 2205549122 OCMALIQICWFTBK-OAQYLSRUSA-N 492.642 2.348 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H](O)CNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(Cl)c1 2255538222 HSTPBNGSUHANFW-AWEZNQCLSA-N 454.760 2.255 30 10 JEEE CC(C)(C)OC(=O)N1CCC(C)(C)[C@@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2256677718 YUTQRESXOOLYPP-LBPRGKRZSA-N 452.386 2.233 30 10 JEEE COC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1coc(B2OC(C)(C)C(C)(C)O2)c1 2267008439 GYTFNNBBOHHAKD-MRXNPFEDSA-N 450.341 2.287 30 10 JEEE CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)[C@H]1C[C@@H]1B1OC(C)(C)C(C)(C)O1 2267098143 WMPNNOPVHKENDY-JYJNAYRXSA-N 452.357 2.480 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](CNC(=O)c2ccsc2B2OC(C)(C)C(C)(C)O2)C[C@H]1O 2267162877 SLSFQSDHMJAZCB-FVQBIDKESA-N 466.409 2.441 30 10 JEEE Cc1cc(S(=O)(=O)N2CC[C@](C)(NC(=O)C(F)(F)F)C2)sc1B1OC(C)(C)C(C)(C)O1 2267365454 PJTUPNSQNURFMT-KRWDZBQOSA-N 482.355 2.187 30 10 JEEE Cc1csc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2O)c1B1OC(C)(C)C(C)(C)O1 2267539501 QZWSVPYSKFLYBW-LSDHHAIUSA-N 466.409 2.456 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2CN(C(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)C[C@H]2C1 2281928756 RBGRITBOKMGVIV-BZUAXINKSA-N 460.384 2.474 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2C[C@H]2[C@H]1CNC(=O)OC(C)(C)C 2281971992 YRFHPSCHFPZLTC-ZMSDIMECSA-N 460.384 2.187 30 10 JEEE C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)C1 2281983006 XJZMVRDRIVLUFB-CVEARBPZSA-N 462.400 2.485 30 10 JEEE CC(C)(C)OC(=O)N1CC2(CCCCN2C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2282015650 ZPRZAAKNFWZFJP-UHFFFAOYSA-N 458.368 2.391 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2C[C@@H](NC(=O)c3ncc(B4OC(C)(C)C(C)(C)O4)cn3)C[C@@H]21 2282019294 JOJAIJKICBMWCE-PQEBFOHHSA-N 458.368 2.197 30 10 JEEE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1N(C)C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2282192623 ZUOJVCBWDXXGTO-RDJZCZTQSA-N 460.384 2.493 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@](O)(CNC(=O)c2ccc(F)c(B3OC(C)(C)C(C)(C)O3)c2)C1 2282463965 HQVNPYUTDXBONX-QHCPKHFHSA-N 464.343 2.227 30 10 JEEE CCn1cc(C(=O)N[C@H]2C[C@@](F)(CNC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2282536432 CHZJISTXIHCRIZ-CAJLXGCNSA-N 466.363 2.327 30 10 JEEE Cn1cc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)[C@H]3CCC[C@H]23)c(B2OC(C)(C)C(C)(C)O2)n1 2282575744 HSLMPQVMNPRFSN-OIISXLGYSA-N 460.384 2.237 30 10 JEEE CC(C)(C)OC(=O)N1CCC([C@@H](F)CNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CC1 2282580275 RBCGENQIZPLNPA-INIZCTEOSA-N 466.363 2.424 30 10 JEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1CCNC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2282585895 RGZSTGHRGQYVKD-HOTGVXAUSA-N 462.400 2.342 30 10 JEEE CN(Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)[C@@H]1C[C@H](O)CN1C(=O)OC(C)(C)C 2283973863 RXDJKCDUMMFXQG-OALUTQOASA-N 460.380 2.315 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC(F)(F)C[C@@H]2CNC(=O)OC(C)(C)C)n1 2296422078 XHERDQOXUBZOGX-CYBMUJFWSA-N 470.326 2.094 30 10 JEEE Cn1nc(C(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)CC23CC3)cc1B1OC(C)(C)C(C)(C)O1 2361528829 ZQEUJYBFAKQFKT-HNNXBMFYSA-N 460.384 2.096 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 2362355266 ZXLUQCRKDBSWIA-ZSHCYNCHSA-N 460.384 2.095 30 10 JEEE CC1(C)OB(c2cc(S(=O)(=O)N[C@@H](CCO)COCc3ccccc3)ccc2F)OC1(C)C 2369619888 YPBFBJUUKSUTNB-SFHVURJKSA-N 479.379 2.371 30 10 JEEE CCCCCCCCO[C@@H]1O[C@@H]([C@@H](COC(C)=O)OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 145832697 YQYGIWWSRQRBBQ-CDJZJNNCSA-N 460.520 2.447 30 10 JEEE CC(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 208072506 OTYOOLOCXXRJOS-QZTJIDSGSA-N 489.426 2.020 30 10 JEEE CC[C@@H]1c2ccsc2CCN1C(=O)CN1CCN(S(=O)(=O)c2ccccc2C#N)CC1 501574558 QBQRARKZQKRCAI-LJQANCHMSA-N 458.609 2.462 30 10 JEEE CC(=O)Nc1cccc(-n2c(=C(C#N)C(=O)Nc3ccccn3)sc(=Cc3ccccc3)c2=O)c1 603495368 FFFWUOHBYSSHPY-UHFFFAOYSA-N 481.537 2.394 30 10 JEEE C#CC1(O)CCN(C(=O)c2cc(I)cc(I)c2O)CC1 708135039 ZEZQPYKFNPBXJA-UHFFFAOYSA-N 497.070 2.202 30 10 JEEE CN(C)c1ccc(C=NNc2nc(SCC(=O)NCc3ccc4c(c3)OCO4)n[nH]2)cc1 1084397116 NEGVOAQCCVCWOP-UHFFFAOYSA-N 453.528 2.454 30 10 JEEE CCc1nnc(CN(C)C(=O)CSc2n[nH]c(NN=Cc3c(C)nn(C(C)C)c3C)n2)o1 1084421723 FXCVTTYHDIESMP-UHFFFAOYSA-N 460.568 2.341 30 10 JEEE C#CCOc1ccc(COC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@@H]2CCCO2)C3=O)cc1 1127966970 DREDFBPDKLLNAJ-IBGZPJMESA-N 455.488 2.379 30 10 JEEE C=CC[C@H](CC)NC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 1196400798 XMQDUHHNWQZJCH-KRWDZBQOSA-N 452.577 2.020 30 10 JEEE COCCN(CCC#N)S(=O)(=O)N[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 1210785963 FYZSHUOHXNRDDF-ZDUSSCGKSA-N 455.890 2.029 30 10 JEEE C#C[C@@H](NC(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1)c1ccc(Cl)cc1F 1222199575 JCYQKGLAGMBWHF-GOSISDBHSA-N 453.927 2.039 30 10 JEEE COc1ccc(S(=O)(=O)N2CC(NC(=O)N3CC=C(c4ccc(C#N)cc4)CC3)C2)cc1 1227950301 GZPJAMLZOCPIPM-UHFFFAOYSA-N 452.536 2.439 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(-n2ccnc2C)c(F)c1 1286275473 SHAKPMQRWFETAC-GJZGRUSLSA-N 459.551 2.028 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(CC(=O)NC)CC1 1286547308 OCOSWEDZZHPLRQ-NQIIRXRSSA-N 467.574 2.259 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccs2)CC1 1286607903 LQFWTNOKDLNVTL-QGZVFWFLSA-N 451.618 2.161 30 10 JEEE C=CCC(C)(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1286665916 AGJRHXXALMGWPJ-LJQANCHMSA-N 485.618 2.041 30 10 JEEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)[C@@H]1C[C@H](OCC)C1(C)C 1286788161 QXOFJRNIQHTNCF-UXHICEINSA-N 482.633 2.394 30 10 JEEE C=CCNC(=O)Cn1c(N2CC[C@](O)(c3ccc(C)cc3)C2)nnc1[C@]1(OC(C)C)CCOC1 1286792769 HGHBXXYDOHGGSM-RPBOFIJWSA-N 469.586 2.027 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2CCS(=O)(=O)CC2)C1 1286801651 FHKDTRBWOMRISM-IBGZPJMESA-N 461.544 2.459 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCN2CCC[C@@H]2C)C1 1286806672 ZMAUHSHVEQNGGW-PZJWPPBQSA-N 488.658 2.461 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCC(CC(=O)N(C)C)CC1 1286815473 VYQFOQXCWSAIHJ-UHFFFAOYSA-N 475.615 2.249 30 10 JEEE C[C@H](C#N)CN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1nnc2n1CCCCC2 1286960533 GROOFNIRQUOECB-QGZVFWFLSA-N 497.629 2.157 30 10 JEEE CC(C)NC(=O)c1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1C[C@@H]1CCS(=O)(=O)C1 1288079145 IBLFKBZWLLCVPH-SFHVURJKSA-N 468.583 2.016 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CCCN1CCCCC1=O 1288173281 BOGOYNDMBBVKPO-NRFANRHFSA-N 479.585 2.268 30 10 JEEE CC[C@H](C)NC(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1291816131 CHHPDDLXCHTTSN-ZWKOTPCHSA-N 469.565 2.424 30 10 JEEE C#CCC1(C(=O)N2CC(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)C2)CCCCC1 1293999785 IPYCBUALVFDQAU-UHFFFAOYSA-N 453.605 2.054 30 10 JEEE N#Cc1ccc(N2CCN(C(=O)CCC(=O)Nc3ccc4nc(O)[nH]c4n3)CC2)c(Cl)c1 1297133016 FQSCPINWGZYUIP-UHFFFAOYSA-N 453.890 2.256 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@]1(N(C)C)CCSC1 1300306952 ATXBOPNQGWKMFA-JPYJTQIMSA-N 454.648 2.347 30 10 JEEE C#CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(c2cnn(C)c2)CC1 1300365187 QZMJRJWRTJVUKI-NRFANRHFSA-N 498.632 2.450 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1Cc1nc(C)c(C)s1)[C@H]1CCS(=O)(=O)C1 1300500956 GGLUXEXGHGDGGC-KRWDZBQOSA-N 476.653 2.382 30 10 JEEE C#CCN(c1nnc(Cc2c[nH]c3ccccc23)n1C[C@H](CC)OC)[C@@H]1CCS(=O)(=O)C1 1300501098 GXCGWNSGNOBLDH-MOPGFXCFSA-N 455.584 2.402 30 10 JEEE C#CCN(c1nnc(CCOc2ccccc2)n1CC1(N(C)C)CCCC1)[C@@H]1CCS(=O)(=O)C1 1300502847 YNJYQBOOHBXZNS-OAQYLSRUSA-N 485.654 2.401 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1300504353 MMBNPHGEVDDNDV-PZJWPPBQSA-N 458.584 2.361 30 10 JEEE C#CCN(CCOC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC1(O)CCS(=O)(=O)CC1 1300652910 FPCHDJUSWRGFHG-KRWDZBQOSA-N 497.017 2.097 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2sccc2Br)CC1 1300711307 XHYMVSXBEZXFNG-UHFFFAOYSA-N 493.431 2.254 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H]2CCN(CCC)C2)CC1 1300729149 OFXVWZFHSMUFRP-LJQANCHMSA-N 469.659 2.332 30 10 JEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC2(CC1)OCc1ccccc12 1300734071 PXYYHWDYBRTORR-KRWDZBQOSA-N 475.640 2.281 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H]2CCCOC2)nnc1N1CCN(CCOC)C(=O)C1 1301531397 LLXBPPGKSJLECH-FQEVSTJZSA-N 455.559 2.080 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN2CCCC[C@@H]2C1 1301575374 FOBHUCCSKOYOLM-MRXNPFEDSA-N 483.436 2.311 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1301587093 XMZISPGXBYCHKJ-IBGZPJMESA-N 464.636 2.119 30 10 JEEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1301596767 XYUODOJRMWRWCJ-UHFFFAOYSA-N 450.609 2.490 30 10 JEEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(-c3ccccc3OC(F)(F)F)o2)CC1 1302924636 QAMQCWMQLXFZOG-UHFFFAOYSA-N 457.430 2.071 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1CCCOc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1358960860 MZDCDJBAWCRHHW-IBGZPJMESA-N 483.594 2.388 30 10 JEEE C#CCN(CC#CC)c1nnc(Cc2cccnc2)n1CCCN1CCN(c2ccncc2)CC1 1358995939 LVEOOFYRRULAQN-UHFFFAOYSA-N 468.609 2.334 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(C)C)n1Cc1ccc(-n2cncn2)nc1 1359015344 QMJCWSVJOJPIGS-UHFFFAOYSA-N 473.516 2.219 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2Cc2cc3c(cc2OC)C[C@@H](C)O3)CC1 1359030022 MKLVFMCMGAEISM-MOPGFXCFSA-N 469.586 2.138 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccccc2OCC(C)C)CC1 1359036389 VNUCKHYTNALFAM-NRFANRHFSA-N 471.627 2.019 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H](C)N(CC)CC)CC1 1359046384 PPNNTQNWQYSMPY-KRWDZBQOSA-N 457.648 2.330 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@H]1c1nncn1C 1359118464 KPXXWDUXUNLPBM-SFHVURJKSA-N 456.576 2.242 30 10 JEEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1359134926 LVPJXMCHHPIZMA-LJQANCHMSA-N 459.558 2.233 30 10 JEEE C=CC[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC(=O)N(C)C[C@H]1C)c1ccccc1 1359195418 MAUOOQSIGQOETF-RLLQIKCJSA-N 457.600 2.207 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1ccco1)N1CCCCC1 1359240421 NXELDMFQEDYNFK-ICSRJNTNSA-N 478.619 2.053 30 10 JEEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(c2nccs2)CC1 1359304335 VSMYOVXOEYOVPF-UHFFFAOYSA-N 471.612 2.412 30 10 JEEE C=CCNC(=O)Cn1c(N2CCN(c3ccccn3)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1359305825 NVZBJMBYAFGXIW-KDURUIRLSA-N 496.616 2.073 30 10 JEEE Cc1cc(C)cc(CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@H](C)C#N)c1 1361016674 DYILMKIQHQSXQP-UYAOXDASSA-N 460.604 2.066 30 10 JEEE C=CCN1CC[C@H](N(C)C(=O)CSc2nnc(-c3ccncc3)n2Cc2ccco2)C1=O 1436053751 NFVOPPJFQSXGKH-SFHVURJKSA-N 452.540 2.319 30 10 JEEE C#C[C@H](NC(=O)c1ccc(S(=O)(=O)N(C)CCO)cc1)c1ccc(Br)cc1 1450271767 LIKMRGIXCSLJNI-SFHVURJKSA-N 451.342 2.166 30 10 JEEE C=CCNC(=O)c1cccc(S(=O)(=O)N(C)Cc2nnc3n2C[C@H](C(F)(F)F)CC3)c1 1475679676 SIFUSHFJMYGGRY-CQSZACIVSA-N 457.478 2.139 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCN(c2sccc2C(=O)OC)C1=O 1478116707 GGSUDKXRYVQOTA-GOSISDBHSA-N 456.524 2.370 30 10 JEEE CCOCc1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1CC1(S(C)(=O)=O)CC1 1503065294 DNZDPXPQKMBQIF-UHFFFAOYSA-N 459.572 2.311 30 10 JEEE CNS(=O)(=O)CCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CC[C@@](F)(C#N)C1 1503830334 IFAISKNNLYRIDB-BFUOFWGJSA-N 452.581 2.123 30 10 JEEE CS(=O)(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2CCOCC2)C1 1505128683 CJZGPSPZNZVJNZ-FQEVSTJZSA-N 459.572 2.169 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CC[C@]2(CCOC2)O1 1507539242 SVUFAHPDIUHLFH-UAKAABGRSA-N 475.590 2.383 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@H]1OCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1507627109 IRMLOOLOHMZFNJ-AZUAARDMSA-N 458.584 2.396 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1Cc1cc(C(C)(C)C)no1)[C@@H]1CCS(=O)(=O)C1 1507629260 LSMMZFZBUWYWRG-MRXNPFEDSA-N 456.572 2.244 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1CCCN(CC)CC)[C@@H]1CCS(=O)(=O)C1 1507630475 ZZODCTLBNAQKGO-LJQANCHMSA-N 473.599 2.032 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H](CC)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1507634261 YDENPEIWYHXVLX-QYZOEREBSA-N 495.646 2.450 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1CC1=CCCOC1)[C@@H]1CCS(=O)(=O)C1 1507639285 KCESYVOSOPUMFZ-HXUWFJFHSA-N 456.568 2.139 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cccn(CC)c1=O 1507691339 GBURTOMWYXJDCO-IBGZPJMESA-N 470.574 2.276 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2CCN2CCSCC2)CC1 1507736865 ULKCGUDQYVYYCW-UHFFFAOYSA-N 452.628 2.268 30 10 JEEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1507838391 BFRGCWXPELCGGN-SFTDATJTSA-N 476.599 2.326 30 10 JEEE C=C(C)COCCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1507846024 WVIRSCKQAKDFTB-LJQANCHMSA-N 468.537 2.133 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CC1 1507999380 MIZXCHHSNKWDGR-FQEVSTJZSA-N 456.572 2.085 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C)no1 1507999437 NCJQXQKXSWXXDJ-OAQYLSRUSA-N 497.581 2.020 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1508072677 FDZKRPMEPYITQG-CYBMUJFWSA-N 458.371 2.177 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](c2noc(C(C)C)n2)C1 1508139463 AALFLVBEMGNPLY-SJORKVTESA-N 464.592 2.273 30 10 JEEE C=CCSCCn1c(-c2cccn2C)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1508152983 FHMXTNIWQAWOCG-UHFFFAOYSA-N 485.658 2.143 30 10 JEEE Cc1nc2ccccc2n1CCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@H](C)CC#N 1511575345 CYEAOHAZPBJIBE-CVEARBPZSA-N 458.592 2.375 30 10 JEEE Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)cc1 1520444802 CUCDTHWLVRRLFG-NRFANRHFSA-N 453.568 2.200 30 10 JEEE C#CCCCCn1c(COc2ccccc2OC)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1539082346 RPDAGLQBOWKZLX-QFIPXVFZSA-N 467.570 2.497 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CC1(N(C)C)CCCC1)[C@@H]1CCS(=O)(=O)C1 1539206997 YOQKSURGXSFURR-HXUWFJFHSA-N 471.627 2.455 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCNC(=O)[C@H](C)CCC)[C@@H]1CCS(=O)(=O)C1 1539211076 FVKRYVXPAXEHGB-SJLPKXTDSA-N 461.588 2.026 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1CCc1cn[nH]c1)[C@H]1CCS(=O)(=O)C1 1539213188 WSQAUUACJVJXDK-KRWDZBQOSA-N 474.974 2.200 30 10 JEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1Cc1cc(C)on1)[C@H]1CCS(=O)(=O)C1 1539225029 LINMWQWAJRUVRH-FQEVSTJZSA-N 469.567 2.043 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccco1)N1CCCC1 1539322935 AUDLYALNMKRFBP-VQTJNVASSA-N 455.584 2.073 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(C)(C)C(=O)NCC 1539325622 KBBOIKCPXVQECC-LJQANCHMSA-N 486.617 2.212 30 10 JEEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1539334265 YLXKBSYRJNAUQI-WOJBJXKFSA-N 468.627 2.232 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2Cc2ccc(OCCN(C)C)cc2)CC1 1539453790 RQVVQKMVDDZHBU-UHFFFAOYSA-N 459.598 2.008 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2CC(C)(C)N2CCOCC2)CC1 1539484169 FNKZEGJLAJJUQX-UHFFFAOYSA-N 470.643 2.007 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)C(C)C)CC1 1539644938 PMSQINZVECOKHN-RBBKRZOGSA-N 455.607 2.426 30 10 JEEE C=CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(CC)C(=O)C1)c1ccccc1 1539940033 MWOFPHRHFSZDMZ-UYAOXDASSA-N 474.631 2.307 30 10 JEEE C=CCOc1ccc(Cn2c(N3CC(=O)N(C)C[C@@H]3C)nnc2[C@]2(OCC)CCOC2)cc1 1540879288 YRRYRKDWUMSLML-UUOWRZLLSA-N 455.559 2.210 30 10 JEEE CCN1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)CC1=O 1546185046 FZKMXSBZDYABTL-RBBKRZOGSA-N 451.571 2.068 30 10 JEEE CN(C)[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1)c1ccco1 1552794748 IAFBKVSHNXQDOY-WOJBJXKFSA-N 484.582 2.248 30 10 JEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1587706459 PJLHIUWJJCHXGH-QZTJIDSGSA-N 482.651 2.385 30 10 JEEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1587804331 YWDSCAZLWXYYEU-IBGZPJMESA-N 469.977 2.315 30 10 JEEE C#CCN(c1nnc(C(C)C)n1CC1(N2CCOCC2)CCCCC1)[C@H]1CCS(=O)(=O)C1 1588030027 OENYHGIJTQABHF-FQEVSTJZSA-N 463.648 2.063 30 10 JEEE C#CCN(c1nnc(CC)n1CC(C)(C)c1ccc2c(c1)OCCO2)[C@@H]1CCS(=O)(=O)C1 1588059060 IQUJRKFKOKDSDD-GOSISDBHSA-N 458.584 2.216 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@H](C)CN2CCOCC2)CC1 1588768011 ACGRCPPNVFXTIY-LJQANCHMSA-N 487.446 2.431 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc4c(s3)CCCCC4)n2CCS(=O)(=O)CC)CC1 1588769660 WLRVEJNEFAUMLC-UHFFFAOYSA-N 461.657 2.465 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2cc(C)no2)CC1 1588968030 FNVYPHBGYVSJDY-KDURUIRLSA-N 497.600 2.359 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(Cn2nc(C)cc2C)n1C[C@@H](C)CN1CCN(CC)CC1 1589234575 UYIZAIRIAJNGKU-NBGIEHNGSA-N 452.651 2.405 30 10 JEEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1589296383 RHTRNPABXNNDLF-DYVFJYSZSA-N 464.430 2.438 30 10 JEEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(=O)Cc2cccc(F)c2)CC1 1593884217 FMPSCRZFBFIGSZ-SFHVURJKSA-N 496.008 2.353 30 10 JEEE C=CC[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](CNC(C)=O)C1)c1ccccc1 1594552728 RLAQHOYUWVAWJJ-YADHBBJMSA-N 466.586 2.102 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc(Cn2nc(C)cc2C)n1CC(=O)N1CCOCC1 1595239237 HNSHJBCEEDQLMW-UHFFFAOYSA-N 463.586 2.234 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN(Cc2ccsc2)CC1 1595784396 FGGVYOWFSKAWEI-UHFFFAOYSA-N 458.613 2.325 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 1595797124 DWHUIEGCLGLZRO-RBUKOAKNSA-N 481.663 2.152 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1595805206 LVDGBLPXKBHXOO-YZZKKUAISA-N 478.590 2.382 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCO[C@@H](C#N)C1 1595823870 TZJQTERFYMQLSS-HNNXBMFYSA-N 486.381 2.493 30 10 JEEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1595838519 VNTDCWDFQPPKMC-GOSISDBHSA-N 468.587 2.255 30 10 JEEE CC(C)Oc1ccc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCS(=O)(=O)CC2)cn1 1610934669 DTQYAMAOQNPSNH-UHFFFAOYSA-N 482.566 2.194 30 10 JEEE N#Cc1nc(C2CC2)oc1N1CCN(C(=O)Cc2ccccc2S(=O)(=O)C(F)F)CC1 1624692287 IEHWYSUTHDPQEV-UHFFFAOYSA-N 450.467 2.311 30 10 JEEE C#CCN1CCN(C(=O)CN(CCO)Cc2cccc(OCc3ccccc3Cl)c2)CC1 1644533130 NSWHJWCUMVTAQK-UHFFFAOYSA-N 455.986 2.491 30 10 JEEE N#Cc1cc(F)c(S(=O)(=O)N2CCc3ccc(S(=O)(=O)N4CCCC4)cc32)c(F)c1 1662416076 GDPRQKGSLVOJGW-UHFFFAOYSA-N 453.492 2.372 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccc(Cl)c2)n1 1690109622 YFAQWOPDZSCZHD-FQEVSTJZSA-N 467.961 2.414 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(CC)cc3)n2CC2(O)CC(OCC)C2)CC1 1690139296 GUGJQBPZGILTCO-UHFFFAOYSA-N 465.598 2.403 30 10 JEEE C=C(C)COCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1690306634 ZJFIUYNHGZDEKV-UHFFFAOYSA-N 479.603 2.027 30 10 JEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccnc(OCC(F)(F)F)c2)CC1 1690364896 ZTLICAAYACKRCY-CQSZACIVSA-N 474.509 2.429 30 10 JEEE C=CCCOCCn1c(-c2cnccn2)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 1690506518 PRCCEHKLXDKVRI-SFHVURJKSA-N 452.515 2.399 30 10 JEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1690509217 ZWRYHRWFUIHYPE-KSZLIROESA-N 483.635 2.122 30 10 JEEE C=CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1690636008 AGLPXMFFAUTYMW-UHFFFAOYSA-N 490.611 2.424 30 10 JEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1690644472 NIWAWCALWXLOFB-RTWAWAEBSA-N 489.665 2.377 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCc2cccc(Br)c2C1 1690655519 YRUGJYFHBIFEKA-UHFFFAOYSA-N 473.375 2.142 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC(C(=O)NCc2ccc(F)cc2)CC1 1690672841 FUWLWLNFWLQYHN-UHFFFAOYSA-N 491.571 2.238 30 10 JEEE C=CCNC(=O)Cn1c(N2CCCN(Cc3ccccc3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1690677248 SFLGNOGBNYOLQH-AREMUKBSSA-N 482.629 2.333 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CC[C@](O)(c2ccccc2F)C1 1690725104 FUSKSVYIWYBBLO-HSZRJFAPSA-N 471.558 2.102 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCN(c2ccccc2OC)CC1 1690726471 BJWLBBSEEIITSP-UHFFFAOYSA-N 482.610 2.200 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1CCCC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1705563145 RJHHOIQXBPLWFU-KRWDZBQOSA-N 494.017 2.102 30 10 JEEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1Cc1cnn(CC)c1)[C@H]1CCS(=O)(=O)C1 1705568809 VNYQWSFXKPCDQG-IBGZPJMESA-N 489.001 2.402 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCCO[C@H]2C(C)(C)C)CC1 1705644551 UNUXONIOYDHERS-WOJBJXKFSA-N 472.634 2.223 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc4ccccc4o3)n2CCNC(=O)C(C)C)CC1 1705646696 NQVRXUNPQDJIBH-UHFFFAOYSA-N 462.554 2.429 30 10 JEEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@H](c2ccccc2)C1 1705731388 VAOMEQQDJVSRGG-BJLQDIEVSA-N 463.604 2.447 30 10 JEEE C=C(Cl)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@H](OCCOC)C1 1705752521 YUUHRYTWNVRLLC-HNNXBMFYSA-N 454.984 2.232 30 10 JEEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1705812687 JAZFITOTJBLFAJ-LJQANCHMSA-N 487.586 2.431 30 10 JEEE C=CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CC1(O)CCN(C(C)C)CC1 1705883243 BCQCLPIDXOVFNK-UHFFFAOYSA-N 481.601 2.468 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1705898571 QCWQLVVNMMFEBB-CVEARBPZSA-N 456.572 2.053 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCN(CC2CCOCC2)CC1 1705903727 RUHPMDFIEGJQIQ-UHFFFAOYSA-N 452.603 2.358 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)ccc2C)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1705938478 ZTFQOVSDGPYVQT-HKUYNNGSSA-N 476.555 2.189 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1Cc1cccc(OCCN(C)C)c1 1722289817 AYMWMMKUBIADAL-KRWDZBQOSA-N 450.543 2.452 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2CC[C@@H]2COCCO2)c1 1722306517 BNGWHQQDQILGBZ-JOCHJYFZSA-N 460.538 2.126 30 10 JEEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](Cn2cccn2)C1 1722333265 UGKYWBUNZGDGML-WOJBJXKFSA-N 485.589 2.102 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1CC1(C)COC1)[C@@H]1CCS(=O)(=O)C1 1722358669 DZYDRUBQHYKXMW-OAHLLOKOSA-N 452.939 2.401 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1CC(C)(C)COC)[C@H]1CCS(=O)(=O)C1 1722360275 SJVIRTGJSBIHAL-SFHVURJKSA-N 476.599 2.262 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1CC(=O)N(C)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 1722364941 JPMSXHLVLCBQJQ-FQEVSTJZSA-N 489.667 2.348 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H](C)c1nccs1)[C@@H]1CCS(=O)(=O)C1 1722366847 SZKTZQCAFLMQDY-SVMVAKDDSA-N 493.655 2.206 30 10 JEEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(NC(N)=O)cc1 1722390696 FAIOPKNFOQZJNV-DEOSSOPVSA-N 450.543 2.321 30 10 JEEE C#CCSCCn1c(CSc2ccccc2OC)nnc1N1CCN2CCOC[C@H]2C1 1722463828 NQBIJSUDGAQDGZ-GOSISDBHSA-N 459.641 2.466 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)N(C)c1ccccc1 1722475411 UYRFOYFMWCBIEI-ZCVJKFOLSA-N 486.642 2.128 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CCc2ccccc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1722505633 RTERAWQSLSUEIZ-RCZVLFRGSA-N 466.630 2.255 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(Cn2ccnc2)c1 1722517360 KDNVWEXOZWGKPM-QFIPXVFZSA-N 499.641 2.307 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ccccc1C 1722518152 VIWGLHVWXLVQJJ-FQEVSTJZSA-N 463.604 2.401 30 10 JEEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(c2ccccn2)CC1 1722686317 WNMIVEXZOBHODR-GOSISDBHSA-N 455.563 2.494 30 10 JEEE C=CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1722741036 YSPPHRDRLCXESZ-ROUUACIJSA-N 455.650 2.443 30 10 JEEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1722743521 CVYADNWZDGGXFB-MUGJNUQGSA-N 451.637 2.078 30 10 JEEE CC[C@H](C)[C@](C)(O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@](F)(C#N)C1 1726829689 GYYDAHCQNDMBGX-RVHYNSKXSA-N 463.583 2.477 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(N2CCC(CO)CC2)cc1 1740558696 VAELOWDWAUOYTB-LJQANCHMSA-N 450.587 2.115 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)(C)C)n2C[C@H]2CCS(=O)(=O)C2)c1 1740564338 KAVLTVGFCUKNNM-GOSISDBHSA-N 457.600 2.358 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3OCC[C@H]3COC)n2C[C@](C)(O)CC)c1 1740564966 DZOROVGEQCKHMO-NSXLHWASSA-N 455.559 2.219 30 10 JEEE C#CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC(OCC(N)=O)CC1 1740589656 DSTFIUVQVXXLGM-SFHVURJKSA-N 474.606 2.277 30 10 JEEE C#CCN(c1nnc(C2CCCC2)n1CCCN1CCCO[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1740623714 ZOAINQWQMSHNMS-TZIWHRDSSA-N 463.648 2.063 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1ccc(C#N)o1 1740678757 RCWFQAFQTWTWDJ-UHFFFAOYSA-N 452.902 2.460 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCCOC3)n2C[C@@H]2CCO[C@H](C)C2)n1 1740688487 GDYPUDXACAYMOD-NJDAHSKKSA-N 456.591 2.470 30 10 JEEE C=CCC(C)(C)Cn1c(Cc2ccccn2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1740849165 ADDMPFGXLJOKPV-UHFFFAOYSA-N 498.657 2.419 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(c2ncc(F)cn2)CC1 1740951731 MEQJXOMVFMBDAZ-MRXNPFEDSA-N 484.511 2.115 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC(C#N)CC1 1740987779 MBTZTQCHYYKQQB-UHFFFAOYSA-N 475.571 2.312 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1740989711 VTSPCLYEQGVRNR-UHFFFAOYSA-N 479.488 2.312 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CC[C@@H](N(C)Cc2ccccc2)C1 1740993091 YELHJKGGZIWIBE-NHCUHLMSSA-N 459.616 2.094 30 10 JEEE CC(=O)N1CCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CC12CCCCC2 1741040330 GVWRVVHRZGSSGC-MRCUWXFGSA-N 483.617 2.473 30 10 JEEE C[C@H](Oc1ccccc1F)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H](C)CN1CCOCC1 1741876731 GQYKRDJXFROLQI-QYZOEREBSA-N 458.538 2.254 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC[C@](C)(O)c1ccccc1 1741929719 BCZOLNNQOMHOQO-HSQYWUDLSA-N 460.604 2.316 30 10 JEEE Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCN2CCN(C)C(C)(C)C2)cc1C 1742283313 GUYQFKIFOKSWSL-JOCHJYFZSA-N 467.618 2.229 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1CC(F)(F)CO1)[C@H]1CCS(=O)(=O)C1 1748808022 GGDNEPXEMUYYRH-LPHOPBHVSA-N 496.536 2.013 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1CC[S@](=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1748810413 VVGDXQMDZXEYAZ-JJCDCTGGSA-N 462.641 2.427 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1CC1(O)CCN(C(C)C)CC1 1748965618 TXIMDRYXFXFQQH-QFIPXVFZSA-N 469.586 2.112 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccnc(SCC)c2)CC1 1748977758 BXJAQZRMYRXTHY-HSZRJFAPSA-N 456.616 2.241 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cscc2C(F)(F)F)CC1 1748989948 RXJGVKNBXUXRFH-AWEZNQCLSA-N 473.546 2.064 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@](C)(O)c2ccccc2Cl)CC1 1749000899 DABMRVAJMPLLTF-XZOYJPPVSA-N 474.005 2.318 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCN2CC=CCC2)CC1 1749006619 UVTVWOWTEQSSBC-UHFFFAOYSA-N 478.597 2.190 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@@H](c2ccccc2)N(C)C)CC1 1749008523 AUZQQYMAHHHKSH-QFIPXVFZSA-N 458.570 2.004 30 10 JEEE C=C(Cl)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1749280123 DSANCWAJQOORJV-UHFFFAOYSA-N 487.004 2.497 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(C(=O)C(C)C)CC1 1749677906 ONTGDPFOEVLDTQ-UHFFFAOYSA-N 454.575 2.081 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1749738361 KNJCKRVQSUBKEK-KRWDZBQOSA-N 460.629 2.334 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC(F)(F)CNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1760190241 UTFKDJKMBKDYEN-HNNXBMFYSA-N 498.556 2.060 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ncc(CC)s2)CC1 1760265142 PBTFPBJKPYNFAH-UHFFFAOYSA-N 471.631 2.230 30 10 JEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)NCc2ccc(C)cc2)CC1 1760281246 PJYYQFWAUZUNGA-OAQYLSRUSA-N 480.638 2.437 30 10 JEEE C=C(C)COCCn1c(-c2cc(Br)cn2C)nnc1N1C[C@H](OC)[C@H](OC)C1 1760350767 RXIAOAKXVQTBQL-CALCHBBNSA-N 454.369 2.489 30 10 JEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCC[C@]3(CCOC3)O2)CC1 1760397693 ZRMIVTFGOQGQDI-YRISNDGFSA-N 453.609 2.019 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CCN(C(=O)C(C)C)CC1 1760514833 GTRYLVAYSOSBFP-UHFFFAOYSA-N 461.570 2.409 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N(C)CC(F)(F)F 1760520976 GKMCTNBAYNRGQJ-UHFFFAOYSA-N 463.464 2.366 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CCC(=O)NC(C)(C)C 1761239841 DCPZOTJCXQJWAN-LJQANCHMSA-N 467.574 2.171 30 10 JEEE CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1Cc1ccc(F)c(COC)c1 1767930259 AEMPKYHHWHJVEP-UHFFFAOYSA-N 482.564 2.389 30 10 JEEE O=C(C1=C(O)C(=O)N(CCCN2CCOCC2)[C@H]1c1ccccc1C(=O)O)c1cccc(O)c1 1862598414 UXKQDCVWDMAYCM-NRFANRHFSA-N 466.490 2.391 30 10 JEEE O=C(C1=C(O)C(=O)N(CCCO)[C@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2)c1cccc([N+](=O)[O-])c1 1862743510 YWJCJTPGQNSUND-IBGZPJMESA-N 485.405 2.235 30 10 JEEE COc1cc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2C[C@H](C)O)cc(OC)c1O 1862761329 IQOATQJNDKIFDW-VOJFVSQTSA-N 458.423 2.277 30 10 JEEE N#Cc1nnn(Cc2ccc(F)cc2)c1NC(=O)CCCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 1870110703 FIALAYFIAWKXOD-UHFFFAOYSA-N 477.412 2.260 30 10 JEEE C=CCOc1cn(Cc2ccc(S(N)(=O)=O)cc2)c(CN2CCN(c3ccccc3)CC2)cc1=O 1870384965 ATNINFKPTXSVKG-UHFFFAOYSA-N 494.617 2.431 30 10 JEEE CN(C(=O)[C@H]1CCCN1S(=O)(=O)c1c(Cl)cccc1Cl)C1CN(c2nccnc2C#N)C1 1892162200 YDSNCTLQVYFZAQ-QGZVFWFLSA-N 495.392 2.155 30 10 JEEE COCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2124524075 NWGZHOYRVHZNQT-OAHLLOKOSA-N 450.345 2.034 30 10 JEEE 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 2223126579 WKPHLDOSCOQUCD-VUHPKUFZSA-N 453.580 2.390 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2CCC[C@](O)(CNC(=O)OC(C)(C)C)C2)C1 2255194171 UOXLEZRPIUONGF-HESYMAFGSA-N 451.564 2.171 30 10 JEEE CC1(C)OB(c2cnc(C(=O)N[C@]3(C)CCN(C(=O)OCc4ccccc4)C3)nc2)OC1(C)C 2255650564 CNUMWWZXDYFMJT-XMMPIXPASA-N 466.347 2.307 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H](CO)NC(=O)c1cccc(Cl)c1B1OC(C)(C)C(C)(C)O1 2256088679 KPOSEOZFHMDSLJ-ZDUSSCGKSA-N 454.760 2.255 30 10 JEEE CO[C@H]1C[C@@H](CNC(=O)c2occc2B2OC(C)(C)C(C)(C)O2)N(C(=O)OC(C)(C)C)C1 2267183633 HGVZSNGEVDIHSL-GJZGRUSLSA-N 450.341 2.333 30 10 JEEE CC1(C)OB(c2ccsc2S(=O)(=O)NCC2CCN(C(=O)C(F)(F)F)CC2)OC1(C)C 2267368598 LIUQBARJFZCQKM-UHFFFAOYSA-N 482.355 2.127 30 10 JEEE CC1(C)OB(c2ccccc2S(=O)(=O)N[C@H]2[C@@H]3CN(Cc4ccccc4)C[C@@H]32)OC1(C)C 2267376314 UDALDWDJWRHLTP-NGRWLJPCSA-N 454.401 2.395 30 10 JEEE CN(C[C@@H](O)COCc1ccccc1)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2267377686 KEDCIPMRMKNHGZ-HXUWFJFHSA-N 461.389 2.184 30 10 JEEE Cc1nc(C(=O)N(C)CCOCCNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2267486223 NNPQVGLVGSQZCD-UHFFFAOYSA-N 469.413 2.364 30 10 JEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)c1coc(B2OC(C)(C)C(C)(C)O2)c1 2267494607 GGPXGSPYKWLMRA-HZPDHXFCSA-N 450.341 2.333 30 10 JEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)c1C 2267507807 UYNZOGVOUDUCPV-LSDHHAIUSA-N 466.409 2.374 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@@](F)(CNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2267523371 AKJNCYIZJYELMB-OAQYLSRUSA-N 452.336 2.178 30 10 JEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2267547195 HJQWPTXCYPSJMP-LSDHHAIUSA-N 467.397 2.197 30 10 JEEE CC[C@@](NC(=O)OC(C)(C)C)(C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)C(F)(F)F 2268608849 VXIVKLUVKBEIMN-QGZVFWFLSA-N 480.318 2.434 30 10 JEEE Cn1ncc(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)s2)c1CNC(=O)OC(C)(C)C 2268633071 PZKBBAWZEVYERA-UHFFFAOYSA-N 463.369 2.453 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2CCO[C@@]2(CNC(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)C1 2281804712 OSNOYBZEVPTPLO-MWTRTKDXSA-N 462.352 2.335 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C12CCC2 2282026085 WWIJJIYABPTPLL-HZPDHXFCSA-N 458.368 2.342 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)cs3)C[C@@H]2[C@H]1CO 2282059121 FBPNWZNALJQKRC-BHYGNILZSA-N 478.420 2.347 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](CNC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)CO1 2282171131 GHIVBRFLNPOGSO-HOTGVXAUSA-N 461.368 2.040 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CC[C@H]1CO 2282174683 HDJXFOHRSOXYLG-PKOBYXMFSA-N 460.380 2.334 30 10 JEEE C[C@@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2CN1C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2282188096 QYFZMQNHLYHIBY-OAGGEKHMSA-N 458.368 2.103 30 10 JEEE COc1ccc(S(=O)(=O)N[C@H]2C[C@H]2CNC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2282492867 QWQOOMOLYUCJBE-YOEHRIQHSA-N 482.408 2.186 30 10 JEEE C=C(CS(=O)(=O)N1CC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1)B1OC(C)(C)C(C)(C)O1 2282504044 JCPGNIKQAIRUFW-SFHVURJKSA-N 485.456 2.131 30 10 JEEE Cc1ccnc(C(=O)N2[C@H]3CC[C@H]2CN(C(=O)C(F)(F)F)C3)c1B1OC(C)(C)C(C)(C)O1 2282566776 DIVOHNGASSCABO-KBPBESRZSA-N 453.270 2.067 30 10 JEEE Cn1cc(C(=O)N[C@@H]2C[C@@H]3C[C@@H](NC(=O)OC(C)(C)C)[C@@H]3C2)c(B2OC(C)(C)C(C)(C)O2)n1 2282575470 CWXVKONFZVAYES-KCYZZUKISA-N 460.384 2.141 30 10 JEEE Cn1cc(C(=O)NCc2ccc(NC(=O)C(F)(F)F)cc2)c(B2OC(C)(C)C(C)(C)O2)n1 2282584864 HKVNMQYEIHPRAQ-UHFFFAOYSA-N 452.242 2.150 30 10 JEEE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1N(C)C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2282588832 IZQFTJVHDABOCI-NVXWUHKLSA-N 462.400 2.437 30 10 JEEE CN1CCC(CNC(=O)OC(C)(C)C)(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)CC1 2282605718 KOWKMPNLUUFZAD-UHFFFAOYSA-N 480.440 2.161 30 10 JEEE C[C@@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)C[C@@H]1CCNC(=O)OC(C)(C)C 2282612649 HAUIPRNRLGQBKA-CVEARBPZSA-N 462.400 2.342 30 10 JEEE CN(CC1CCN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CC1)C(=O)OC(C)(C)C 2282629049 RGDMKIVSVGDRDE-UHFFFAOYSA-N 460.384 2.495 30 10 JEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1ncc(C)cc1B1OC(C)(C)C(C)(C)O1 2282646124 XIEJQZSTSRLBOE-IAGOWNOFSA-N 461.368 2.053 30 10 JEEE CC(C)(C)OC(=O)N[C@]1(CO)CCCN(C(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2282648737 RWVVMKGGTBMFRV-XMMPIXPASA-N 460.380 2.478 30 10 JEEE CC1(C)OB(c2cccc(S(=O)(=O)NCC3CCN(C(=O)C(F)(F)F)CC3)c2)OC1(C)C 2282859518 NKRRQWSOLBLBBU-UHFFFAOYSA-N 476.326 2.065 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@]1(C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2284118428 KJUCGWYFOFRCDH-JOCHJYFZSA-N 465.331 2.484 30 10 JEEE COc1ccc(C(=O)N[C@@H](COCc2ccccc2)C(=O)O)cc1B1OC(C)(C)C(C)(C)O1 2284470472 ZVTUNIACCLQKSF-IBGZPJMESA-N 455.316 2.394 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2OCC[C@]2(C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)C1 2296392220 NUMQYGINZXHWEN-QRQCRPRQSA-N 479.408 2.085 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@H]2NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2312857501 HRQWFAUNRCELGR-QEJZJMRPSA-N 470.422 2.333 30 10 JEEE CCCNC(=O)CSc1nnc(CNC(C)=O)n1N=Cc1cccc(OC)c1OCCC 2330742740 JCWCKECVNDHAAD-UHFFFAOYSA-N 462.576 2.212 30 10 JEEE Cc1nsc(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 2359278301 JLSWRKBPVOKVRW-RBSFLKMASA-N 481.424 2.145 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CS(C)(=O)=O)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2360636003 LZPDTKCNILIHJD-MRXNPFEDSA-N 486.371 2.001 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC2(CCN(C(=O)OC(C)(C)C)CC2)C1 2362342102 QTSCRDINBSPKDJ-UHFFFAOYSA-N 460.384 2.192 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H](C)[C@H](CNC(=O)OC(C)(C)C)C2)n1C 2362491074 ZHUBLSIXGBMVNY-GOEBONIOSA-N 462.400 2.261 30 10 JEEE C=CCNC(=O)[C@@H](NC(=O)c1ccc2c(c1)OCO2)C1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 36211668 YMPQRWXCWFKONB-QHCPKHFHSA-N 493.516 2.097 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@H](CS(=O)(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 208061936 ZNOKFXOQDZHPTK-HNNXBMFYSA-N 467.397 2.197 30 10 JEEE COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc(C=NNc3nc(N)ncc3[N+](=O)[O-])c2C)c1 254493951 SUWXPXSETZSNCM-UHFFFAOYSA-N 467.442 2.394 30 10 JEEE Cc1cc(C=NNc2nc(N3CCOCC3)nc(N3CCOCC3)n2)c(C)n1-c1ccccc1 254527315 INEBTRUJHUYRQT-UHFFFAOYSA-N 462.558 2.398 30 10 JEEE COc1ccc(N2CCN(CC(=O)NC3CCC(Oc4nccnc4C#N)CC3)C2=O)cc1 585355664 NCKJXVRXYBLYSW-UHFFFAOYSA-N 450.499 2.105 30 10 JEEE CC(C)Oc1ccc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3ccccc3)c2=O)cc1 608828603 GEINLFGSPIZSGR-UHFFFAOYSA-N 475.570 2.048 30 10 JEEE C#CCOc1ccc(COC(=O)Cc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)cc1 1127864319 NLUUPVSTGGNZOE-UHFFFAOYSA-N 459.520 2.014 30 10 JEEE C=CCN1CC[C@@H](N(C)C(=O)Nc2ccc(OCC)c(S(=O)(=O)N3CCCC3)c2)C1=O 1214340440 YLNPWMFOSCTLOT-QGZVFWFLSA-N 450.561 2.120 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNc1ncc(Cl)cc1Cl 1286295623 JTFZXFRNIJHTOY-CHWSQXEVSA-N 457.387 2.452 30 10 JEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cc(C)nc(C(C)C)n2)CC1 1286314958 ANHZDOPKZZLVRO-IBGZPJMESA-N 488.662 2.240 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccc(N2CCCC2)nc1)[C@@H]1CCS(=O)(=O)C1 1286386277 XVSDSCRFPDNVNE-LJQANCHMSA-N 456.616 2.246 30 10 JEEE C#CCN(c1nnc(-c2ccccc2F)n1CC1(S(C)(=O)=O)CCCC1)[C@H]1CCS(=O)(=O)C1 1286388167 YYKWETNVTYULND-KRWDZBQOSA-N 494.614 2.068 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H]1CCCO[C@@H]1C(C)C)[C@H]1CCS(=O)(=O)C1 1286394942 YHSOQZMYNAHIBH-QNWVGRARSA-N 471.627 2.342 30 10 JEEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(NC(C)=O)nc1 1286448156 QLYDXANMAQEBAA-LJQANCHMSA-N 483.573 2.448 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CC(=O)NCC(F)(F)F)CC1 1286470715 BTZQMEFTWMILCN-GOSISDBHSA-N 478.519 2.469 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](OC)c1ccc(F)cc1 1286522077 GOPMYXIAKZEYFT-TXTKFYIRSA-N 491.589 2.130 30 10 JEEE C=C(C)COCCn1c(-c2ccc(C)o2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1286603626 VKWIPVGYRQFYNW-RXVVDRJESA-N 456.591 2.428 30 10 JEEE C=CCCCn1c(Cc2cccnc2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1286702403 QWBSQBPFTGAGNK-HSZRJFAPSA-N 453.635 2.461 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N1CCOCC1 1286745148 QIFMVCQBTGEUST-UYAOXDASSA-N 477.606 2.233 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCOC[C@H]1C 1286749478 TUYKRHBRMDMPPV-QZTJIDSGSA-N 465.645 2.155 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1286779117 FDDVETONDJBENL-GOEBONIOSA-N 462.396 2.021 30 10 JEEE C=CCNC(=O)Cn1c(N2CCO[C@H](c3cccc(OC)c3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1286794175 YQJRECZIGJFWIZ-SQJMNOBHSA-N 485.585 2.207 30 10 JEEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1286824666 ZQZADFUDPWXMDE-RTBURBONSA-N 471.631 2.392 30 10 JEEE CCN(CC)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2nnc(C)s2)CC1 1295335579 BTRWTXMLXSXOEL-UHFFFAOYSA-N 493.641 2.210 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OCC)CCOC3)n2Cc2nnc(C)s2)c1 1300331501 LUJQTRUODLCJRA-QHCPKHFHSA-N 481.582 2.195 30 10 JEEE C#CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](COC)C1 1300362798 AESGGCXTWUIWPJ-RTBURBONSA-N 463.579 2.242 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccc(C)cc1OCC)[C@@H]1CCS(=O)(=O)C1 1300488580 STQVWVQWTUSUDL-HXUWFJFHSA-N 468.583 2.061 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(OC)c(O)c1)[C@H]1CCS(=O)(=O)C1 1300489322 MDMJDBZMJFOWFH-KRWDZBQOSA-N 487.969 2.383 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2Cc2ccc(N(C)C)nc2)CC1 1300683014 VBNJQFSBVWNRDR-UHFFFAOYSA-N 493.015 2.126 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@H]2C[C@H](C)O[C@H](C)C2)CC1 1300716793 RDNPFQQLPBRHHW-IYWMVGAKSA-N 461.607 2.172 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2CC2(S(C)(=O)=O)CCCC2)CC1 1300719174 QLEPCRNTNPPSSS-UHFFFAOYSA-N 499.637 2.277 30 10 JEEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1300753855 CEDLFNXBSWRFIQ-OYRHEFFESA-N 483.686 2.277 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1300892472 SVDGZRYMXWDVMH-QKLQHJQFSA-N 493.655 2.264 30 10 JEEE C=C(C)Cn1c(N2CCN([C@@H](C)C(=O)NC3CCCC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1300970043 IUDTUBNABIBEKD-CPJSRVTESA-N 474.650 2.464 30 10 JEEE C=CCCOCCn1c(-c2cc(Br)cn2C)nnc1N1CCN2CCOC[C@H]2C1 1301241073 MRFDXCQLRMUEKR-QGZVFWFLSA-N 465.396 2.160 30 10 JEEE C=CCn1c(N2CCN(C(=O)Cc3cccc(OC)c3)CC2)nnc1[C@@]1(OCC)CCOC1 1301473404 ANAUCAAKVNJSGU-XMMPIXPASA-N 455.559 2.016 30 10 JEEE C=CCNC(=O)Cn1c(Cn2ccc3ccccc32)nnc1N1CCO[C@H](COC(C)C)C1 1301509887 PCRBALFNOOJDHP-FQEVSTJZSA-N 452.559 2.214 30 10 JEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1301611855 HOHSJGHOAUNJHW-GOSISDBHSA-N 493.655 2.272 30 10 JEEE CCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1306528678 GUKFXHKHOJRXFY-VWLOTQADSA-N 467.618 2.358 30 10 JEEE CN(c1nnc(COc2ccc(C#N)cc2)n1CCCS(C)(=O)=O)[C@@H]1CCCc2c1cnn2C 1314700331 ASYGAFOUTAUHRW-HXUWFJFHSA-N 483.598 2.411 30 10 JEEE CN(CCNS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(C)OCCc2sccc21 1314873255 AFFDNDWHWLMIFQ-JOCHJYFZSA-N 486.623 2.352 30 10 JEEE CS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)C3(c4cc(F)cc(C#N)c4)CC3)CC2)c1 1353773287 DMRYTMVMMXWPNY-UHFFFAOYSA-N 455.511 2.117 30 10 JEEE C#CCCCn1c(CC(C)(C)C)nnc1N1C[C@@H]2[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1358930492 WOVPDBRESKUOTF-FGTMMUONSA-N 479.647 2.407 30 10 JEEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@H](C)CN1CCN(CC)CC1 1358941035 WHXXWPYDPHWURL-QGZVFWFLSA-N 462.440 2.389 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CC1C[C@H](C)O[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1358956106 AIJFOFLYMNCXAB-RSKVWTTASA-N 494.658 2.149 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@](C)(O)[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1358959207 DNROUDUQIBKNPK-YJLYGGOZSA-N 490.626 2.386 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(Br)cn2C)n1CCN/C(O)=C1\N=CC=CC1=O 1358986750 GPFTYUNZYHJFNQ-XUTLUUPISA-N 496.369 2.035 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC(=O)N1CCOCC1 1359009055 HJIGWLWZJIXZTC-IBGZPJMESA-N 474.606 2.101 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc4c(s3)CCCCC4)n2CCCNS(=O)(=O)CC)CC1 1359031541 GXUWAKSXVRHMRN-UHFFFAOYSA-N 490.699 2.360 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@](C)(O)c2ccsc2)CC1 1359046760 FAPJGUQITVQCFD-XMMPIXPASA-N 481.626 2.075 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCSCC(F)(F)F)CC1 1359179372 TWGMMQSLONOMOK-HNNXBMFYSA-N 483.582 2.309 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1359245314 KASODGVLEXSQAN-RJCBAWPRSA-N 471.562 2.499 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1359291922 DWGPNWWNUYJRSY-GHTZIAJQSA-N 483.548 2.270 30 10 JEEE COCCN(CCC#N)S(=O)(=O)N1CCC[C@H]([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 1463772353 CXEZKOWOFKXLNV-MOPGFXCFSA-N 458.625 2.452 30 10 JEEE C#Cc1cncc(C(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2N2CCN(C)CC2)c1 1465062944 HNEDIBAHNNSCGE-UHFFFAOYSA-N 455.584 2.098 30 10 JEEE COc1ccccc1Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@@H](C)OC 1504409261 DCKKHHYDSMCMDE-ZWKOTPCHSA-N 462.558 2.289 30 10 JEEE C#CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(CCS(C)(=O)=O)C1CC1 1507561456 WILMUZPADBNYHL-UHFFFAOYSA-N 468.583 2.009 30 10 JEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](CN2CCCCCC2)C1 1507574260 MHKJXBNBRMCGEM-WOJBJXKFSA-N 450.653 2.394 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](COCc2ccccc2)C1 1507588060 FGRODHWKIQFEDA-FGZHOGPDSA-N 487.626 2.068 30 10 JEEE C#CCCCn1c(N2C[C@H](C)[C@@H](N3CCCN(C(C)=O)CC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1507598155 CLPLNVCOPJHQFD-KJOQGJGQSA-N 486.661 2.111 30 10 JEEE C#CCN(c1nnc(-c2ccccc2)n1CCNC(=O)c1cccs1)[C@H]1CCS(=O)(=O)C1 1507629187 KIDOEBRBXSVWBW-SFHVURJKSA-N 469.592 2.063 30 10 JEEE C#CCN(c1nnc(C2CCC2)n1C[C@H](C(CC)CC)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1507632032 IKJILQJUWTWDJF-FGZHOGPDSA-N 477.675 2.309 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1CCCOC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1507633851 JWTHBYGEDCAZTC-QFIPXVFZSA-N 486.638 2.390 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccc(Br)cc2)n1C[C@H](C)N1CCOCC1 1507654252 BXQGUOCRQUGEEU-SFHVURJKSA-N 472.387 2.413 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H](C)COC)CC1 1507733945 OPFDOAWHFBLXHQ-KRWDZBQOSA-N 466.586 2.396 30 10 JEEE C=C(Br)Cn1c(-c2ccccc2OC)nnc1N1CCC(OCC(N)=O)CC1 1507784107 HZEGVQVHULXIIS-UHFFFAOYSA-N 450.337 2.333 30 10 JEEE C=CC1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CCNC(=O)C(C)C)CC1 1507906865 OJWQNKUTWOLKRG-UHFFFAOYSA-N 459.620 2.413 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CCN(CC(F)F)CC1 1508075917 BYGCUJPTHPZPEJ-UHFFFAOYSA-N 469.334 2.397 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cccc(C)c2C)CC1 1508130682 IRUVHDRNFFLMIY-UHFFFAOYSA-N 486.642 2.058 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCN(CCOC)CC1 1508137202 ZICJMVSWFNJZIR-UHFFFAOYSA-N 484.626 2.171 30 10 JEEE CO[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)C(C)(C)C 1517861010 APNDGRMZBOQSFV-IEBWSBKVSA-N 461.588 2.413 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CCOCC)CCCC1 1539017005 XCEDJQNNLDHPFL-OALUTQOASA-N 467.636 2.056 30 10 JEEE C#CCCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN(CCOC)C(=O)C1 1539071779 DPSYGZXQAFFNCM-UHFFFAOYSA-N 488.633 2.491 30 10 JEEE C#CCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1539102516 GIXYKJIUQCVRGV-UHFFFAOYSA-N 490.612 2.123 30 10 JEEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1cc(Br)ccc1F 1539177841 BWOVFEFTPALCMB-CQSZACIVSA-N 455.353 2.394 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ncnn1C(C)(C)C 1539391370 CFCKJDRPOZGRJI-SFHVURJKSA-N 485.589 2.354 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2ccc(-n3ccnc3)c(F)c2)CC1 1539430944 PEDYTOMCPCUPKJ-LJQANCHMSA-N 467.549 2.130 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H](c2ccco2)N(CC)CC)CC1 1539482179 RMKORBPMWYUENU-SFTDATJTSA-N 468.602 2.424 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 1539490361 BCEFCGLJFWJSMG-OAQYLSRUSA-N 491.621 2.147 30 10 JEEE C=C(Br)Cn1c(COc2ccccc2F)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1539607400 FCWIKEWIMNITAG-AWEZNQCLSA-N 488.383 2.375 30 10 JEEE C=C(C)COCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCN(CC(=O)N(C)C)CC1 1539758695 RJGOYAQJVKNQPH-UHFFFAOYSA-N 465.602 2.153 30 10 JEEE C[C@@H]1CCCN(c2cc(C(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)ccn2)C1 1540728345 CWQYUNYFVMTUFI-GOSISDBHSA-N 453.568 2.336 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1540875446 MBPSBDRLQMXUEL-UHFFFAOYSA-N 480.548 2.032 30 10 JEEE C=CCOc1ccc(Cn2c(Cc3csc(C)n3)nnc2N2CCO[C@@H](C(=O)NC)C2)cc1 1540878902 MBDMGUZPURXFBU-HXUWFJFHSA-N 468.583 2.198 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1540896372 KWOLNAXOHZOSQX-IYWMVGAKSA-N 481.663 2.402 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCO[C@H](c2ccccc2C)C1 1540901497 FXCUBFNKSFAWHF-FQEVSTJZSA-N 454.556 2.222 30 10 JEEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCCSC2)c1 1552880277 GGEZOCGREIETPU-SJLPKXTDSA-N 476.628 2.067 30 10 JEEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)c1 1567282828 KHDYNXAMSDOJCD-SFHVURJKSA-N 451.907 2.479 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCCCS(C)(=O)=O 1587638313 CVEABYJBEZOAKM-ZWKOTPCHSA-N 483.635 2.259 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1c[nH]c2cc(C)ccc12 1587638318 CVVGPJIQDPVGFU-DYESRHJHSA-N 470.599 2.101 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCn1cc(C)cn1)[C@H]1CCS(=O)(=O)C1 1588029408 HMNPYVIQXKPLEN-ICSRJNTNSA-N 486.573 2.389 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC2(COC)CCCCC2)CC1 1588890497 AIJQTMRUAIIDID-AREMUKBSSA-N 487.645 2.493 30 10 JEEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2cccs2)CC1 1589403675 BBVAPKHAAIWQKO-HNNXBMFYSA-N 486.461 2.473 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](c2nc(C)cs2)C1 1593636163 IFZLEPFIBGQOPO-IRXDYDNUSA-N 466.633 2.336 30 10 JEEE C=CCC(C)(C)Cn1c(N2CCN(C(=O)N3CCOCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1594528861 NEKJQWJWBMUDKK-RUZDIDTESA-N 490.649 2.495 30 10 JEEE C=CCCOCCn1c(Cc2cccnc2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1594819817 MOHYQWLIOAUUJU-XUZZJYLKSA-N 481.645 2.236 30 10 JEEE C=CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@H]1CCN(S(C)(=O)=O)C1 1594943643 VLLBWDVREGSVFS-KRWDZBQOSA-N 485.614 2.140 30 10 JEEE C=CCn1c(CCc2ccc(OC)cc2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1595427943 AQBOEEJOZZUWAA-FQEVSTJZSA-N 452.603 2.391 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1595477711 XXQRFVRMNKJIOU-PMACEKPBSA-N 485.608 2.076 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)C[C@H]1CC=CCC1 1595777386 MAIPRQVVJOWVQI-SFHVURJKSA-N 468.587 2.314 30 10 JEEE N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)NCCn1cc(Br)ccc1=O 1622184629 BDFGLUBFXRDTJZ-UHFFFAOYSA-N 450.236 2.480 30 10 JEEE C=CCn1c(SCC(=O)N2CCC(OC)(OC)[C@H](O)C2)nnc1-c1ccc(Cl)cc1 1627280517 RWCVNGKPIUZJPO-MRXNPFEDSA-N 452.964 2.459 30 10 JEEE CNS(=O)(=O)c1ccc2c(c1)N(C(=O)COc1cccc(Br)c1C#N)CC2 1630318309 DVVSVMVAAWCLRE-UHFFFAOYSA-N 450.314 2.197 30 10 JEEE C=C(C)C[C@H](CO)NC(=O)C1CCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)CC1 1636699100 BDBPNTLVVNVUIU-OAHLLOKOSA-N 450.479 2.429 30 10 JEEE Cc1[nH]nc(NC(=O)CCc2nc3cc(S(=O)(=O)N4CCCCC4)ccc3n2C)c1C#N 1641600268 AIRIPEQRRVJRBQ-UHFFFAOYSA-N 455.544 2.222 30 10 JEEE CCC[C@H](C)C(=O)NCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@](F)(C#N)C1 1649622172 CWWUBDYXCIWBPV-AOMKIAJQSA-N 476.578 2.343 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2F)ccc1F 1654004654 PMBJRKZLJFGFPJ-HZPDHXFCSA-N 459.515 2.367 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2c(F)cc(F)cc2[C@@H]1C 1689930594 VONDRLJOPYTWKY-YWZLYKJASA-N 479.553 2.426 30 10 JEEE C#CCN(c1nnc(-c2cccc(Br)c2)n1C[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1689981823 BXEJNVGXZXNWOX-CRAIPNDOSA-N 479.400 2.371 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1CCCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1689993759 KTYBGSNRUOULTJ-JOCHJYFZSA-N 455.628 2.176 30 10 JEEE C#CCN(c1nnc(COCC)n1CC1(c2cccc(OC)c2)CC1)[C@@H]1CCS(=O)(=O)C1 1689997224 YCIVMYCQRANWLR-LJQANCHMSA-N 458.584 2.182 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1690011755 BXWRVYNMEDKVDW-OAQYLSRUSA-N 483.498 2.467 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)C(=O)NCC 1690091178 LCOTVYKAEUZHPH-GOSISDBHSA-N 475.590 2.121 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCCCNC(=O)OC(C)(C)C)CC1 1690113470 KOLQZVAVLPVUHH-RUZDIDTESA-N 490.649 2.379 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2Cc2ncnn2C(C)(C)C)CC1 1690133709 QTBVZSGXXDCOPZ-UHFFFAOYSA-N 464.574 2.016 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(C)nc4ccccc34)n2CCS(=O)(=O)CC)CC1 1690137712 HFKIQALSIFGREF-UHFFFAOYSA-N 494.621 2.202 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCCn2ccnn2)CC1 1690152710 VLZGBSOXLSYFBF-UHFFFAOYSA-N 476.585 2.122 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H](N1CCOCC1)C(F)(F)F 1690216487 QDBYLJVCEIPRJT-RYLXDESZSA-N 471.524 2.257 30 10 JEEE C=CCCCCn1c(N2CCN(C(=O)[C@H]3CCCN3C)CC2)nnc1[C@]1(OCC)CCOC1 1690468373 ZWVWGOPFENSTFB-YKSBVNFPSA-N 460.623 2.029 30 10 JEEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CCCN1CCCO 1690517198 ZSWIRBMHLZFYGH-SFHVURJKSA-N 461.636 2.016 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1690667248 WTODIHJYZVHIIU-KRWDZBQOSA-N 489.418 2.168 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1690673451 WEUVRUXVGXZLPA-HXUWFJFHSA-N 453.522 2.105 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC(n2cc(Cl)cn2)CC1 1690731574 MLJGSKOLLCGMCL-QGZVFWFLSA-N 454.984 2.422 30 10 JEEE Cc1nc(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCN(CC(F)(F)F)[C@H](C)C2)n[nH]1 1693366365 AOPLBRDXBWYRGN-OAHLLOKOSA-N 489.506 2.471 30 10 JEEE CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@](C)(O)CCC(C)C 1696328346 DCTOVHMKVLSYIA-HSZRJFAPSA-N 458.611 2.242 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1CCCN1CCCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1705563642 BKPBVRSZGPYKNM-WOJBJXKFSA-N 456.616 2.231 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@H]2CCC[C@H](O)C2)CC1 1705633961 DFVZTTDHVYYZMM-ICSRJNTNSA-N 469.586 2.277 30 10 JEEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2CC2(SC)CCN(C)CC2)CC1 1705641899 YKDALIMACGPAOZ-UHFFFAOYSA-N 468.671 2.482 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2CC2CC3(CCOCC3)C2)CC1 1705643995 FEMJTPNFQHZEOM-UHFFFAOYSA-N 484.645 2.369 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2c(F)cc(F)c(F)c2F)CC1 1705644105 YIKDJYAEFJIEFJ-XOBRGWDASA-N 467.467 2.362 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2Cc2ccccc2OCCOC)CC1 1705649362 USCUQWNUIAMIES-UHFFFAOYSA-N 474.565 2.379 30 10 JEEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1705662809 LZILPUWYMNJKNV-IBGZPJMESA-N 464.599 2.028 30 10 JEEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)Nc2ccccc2CC)CC1 1705724889 WYNJVOSQMYDPSU-HXUWFJFHSA-N 451.575 2.128 30 10 JEEE C=C(C)COCCn1c(-c2ccccc2OC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1705733671 WIVILPHFPGJAQV-SFHVURJKSA-N 454.531 2.019 30 10 JEEE C=CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1705825460 ULSGJDYEBJHIER-GMAHTHKFSA-N 474.650 2.493 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)NCC(F)(F)F 1705861509 HMTXITRSAVJYTL-INIZCTEOSA-N 471.505 2.051 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2CCCN2C(=O)OC(C)(C)C)C1 1705922381 LUWRXIPJNUEPDN-KZNAEPCWSA-N 460.579 2.410 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cc(OC)ccc2OC)C1 1705925085 LBUISLGFZKZICL-APWZRJJASA-N 462.572 2.027 30 10 JEEE CC(C)NC(=O)CN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(N(C)C)CCSC1 1706641457 FTXGYMWEZGAEAY-HSZRJFAPSA-N 471.631 2.127 30 10 JEEE CCn1cc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)CC2CC2)cn1 1710179188 AITCILNDSTXODD-UHFFFAOYSA-N 453.572 2.494 30 10 JEEE CCN1CCN([C@H](C)Cn2c(CNC(=O)c3cccs3)nnc2N(C)[C@H](C)CC#N)CC1 1710269917 GDBHRWPZGRYMIG-QZTJIDSGSA-N 458.636 2.034 30 10 JEEE CCS(=O)(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2ccncc2)CC1 1710890904 HUDAIAJZQFLDAE-UHFFFAOYSA-N 495.609 2.275 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CCOC)CCCCC1 1722295133 JDWISTBHTNSRCY-OALUTQOASA-N 467.636 2.056 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(CC)CCOCC2)c1 1722308558 CFHMNOBIGUYWEU-HXUWFJFHSA-N 499.637 2.443 30 10 JEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CCCN1CCCCCC1=O 1722386819 LYKQPMBQCDONEM-UHFFFAOYSA-N 452.584 2.135 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCN(C)C(=O)OC(C)(C)C)CC1 1722445976 HVPSQNOLIHAERM-UHFFFAOYSA-N 469.590 2.116 30 10 JEEE C#CCSCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC(=O)N(C)[C@H](C)C1 1722453853 DYQAQPSLTXFYAQ-OAHLLOKOSA-N 459.572 2.004 30 10 JEEE C=C(Cn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1)c1ccccc1 1722539018 DHGKHUGXGFLNPQ-HXUWFJFHSA-N 491.600 2.442 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCCN(c2nc(CC)ns2)CC1 1722695510 GDDCXIDAYVEAPN-UHFFFAOYSA-N 488.021 2.426 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC[C@H](CC(N)=O)C1 1722724432 WRVYHKLOURGAPG-QGZVFWFLSA-N 483.598 2.028 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCN(c2ccccc2F)CC1 1722729625 RIPLENTXIBHFEI-UHFFFAOYSA-N 470.574 2.330 30 10 JEEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1722740727 SDHHWTAODLUKFD-GOSISDBHSA-N 457.560 2.383 30 10 JEEE CCOCc1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1C[C@H]1CCS(=O)(=O)C1 1729066546 FXIKJMRHWRBYHO-QGZVFWFLSA-N 479.006 2.101 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1ccc(C(=O)NCC)cc1)[C@H]1CCS(=O)(=O)C1 1740622628 FFWQQXIRMIJWOO-NRFANRHFSA-N 492.605 2.073 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1Cc1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1740628497 QOBHCVLMLQCEEB-KRWDZBQOSA-N 473.530 2.276 30 10 JEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@H]1CN(Cc2ccccc2)CCCO1 1740659145 VBYINBLIQUXTSW-XMMPIXPASA-N 474.609 2.155 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C(=O)N(C)c2ccccc2)C1 1740717470 SWRQECQPCGWPFJ-OALUTQOASA-N 487.651 2.036 30 10 JEEE C#CCSCCn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1740721579 NGRPLCZOILBDCQ-IBGZPJMESA-N 494.625 2.372 30 10 JEEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1740880899 QHPMGOYOUACZHF-UHFFFAOYSA-N 461.636 2.110 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(N2CCNC2=O)CC1 1740952815 OLOLVSSBRPUWIG-MRXNPFEDSA-N 487.992 2.368 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC(NC(=O)c2ccccc2C)CC1 1740962126 TYDHUHGIKMEXNG-UHFFFAOYSA-N 473.581 2.273 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCCC(=O)N(C)C)C1 1740980731 MGAZQBFJXOHOEY-RBUKOAKNSA-N 492.621 2.236 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H]1c1ccc(COC)o1 1740985348 FWJRKYDSBGLSQY-SFHVURJKSA-N 477.587 2.196 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@@H](CN2CCOCC2)C1 1740988537 INJFIJLAIPEJFQ-KRWDZBQOSA-N 498.024 2.497 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N(C)[C@@H]1CCCN(Cc2ccccc2)C1 1740992694 SWOAJHOIDZUZOV-FCHUYYIVSA-N 473.643 2.484 30 10 JEEE CC(C)(O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1741253318 GBGOUVQSIKYNOI-UHFFFAOYSA-N 465.602 2.112 30 10 JEEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 1745883235 BZLKLJHXKTUNGA-SFHVURJKSA-N 464.530 2.379 30 10 JEEE CCN(CC)C[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N2CCOCC2)C1 1746147819 APEGLELBNXFBJR-OAQYLSRUSA-N 465.602 2.234 30 10 JEEE CCOc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1CCN1CCN(C)C(C)(C)C1 1746888796 GTTKKSIMXWAIIM-FQEVSTJZSA-N 483.617 2.011 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2CCCN2CCCCC2=O)c1 1748693163 ZODGVHLJPVQBGI-UHFFFAOYSA-N 472.553 2.194 30 10 JEEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1C[C@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1748766312 MPBYHCKKOSBCDP-OKZBNKHCSA-N 481.557 2.019 30 10 JEEE C#CCN(c1nnc(CSc2ccc(C)cc2)n1CC1(O)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1748824511 POXCXPGRYMRIIA-LJQANCHMSA-N 490.651 2.047 30 10 JEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@H]1CCCN1C(=O)OC(C)(C)C 1748901267 VQNKMGRLPWYOEX-LJQANCHMSA-N 454.575 2.263 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc(NC(=O)N(C)C)cc2)CC1 1748978573 NCJDTGHPYPRBDL-SANMLTNESA-N 495.628 2.216 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1749133361 KWASZUIHOWEBRU-ONTIZHBOSA-N 474.631 2.011 30 10 JEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C[C@H]2CCOC2)C1 1749428096 YOJZPGGNMPOQDZ-ZCNNSNEGSA-N 467.636 2.220 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)C1 1749707454 FGLHDSPHBYKZRB-SVFBPWRDSA-N 457.550 2.437 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1749724369 INRFMCRKSSKXKE-ZWKOTPCHSA-N 477.631 2.482 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(NC(C)=O)CC1 1749726685 AMRFASDYNNCYOI-UHFFFAOYSA-N 469.970 2.443 30 10 JEEE Cc1ccc(CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@@H](C)CC#N)c(C)c1 1751502426 DSOGLVFIMMIEFS-AZUAARDMSA-N 460.604 2.209 30 10 JEEE CC[C@@H](C)[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1752550958 GZKYRSALAVJPNC-KBMIEXCESA-N 467.618 2.260 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2CCN2CCOCC2(C)C)c1 1760128589 MTGFMYABUKCHMC-OAQYLSRUSA-N 480.613 2.339 30 10 JEEE C#CCCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(C(C)=O)CC1 1760130682 NTBHXLMIJGWWOH-UHFFFAOYSA-N 457.604 2.019 30 10 JEEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1760143449 GZSKRKYFVROAMK-UNMCSNQZSA-N 466.586 2.231 30 10 JEEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)[C@H](C)CS(=O)(=O)CC 1760162188 NUIHQBMBVRLEKJ-GOSISDBHSA-N 459.620 2.125 30 10 JEEE C#CCN(c1nnc(CCCc2ccccc2)n1CCN1CCSCC1)[C@@H]1CCS(=O)(=O)C1 1760192877 ZABBIZPHELHCOK-JOCHJYFZSA-N 487.695 2.129 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCc2cc(OC)ccc21 1760206377 XZBOURAHSAUOQW-VQTJNVASSA-N 452.580 2.382 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ccc(N(C)C)nc1 1760213116 QCRUMVVFKMAYNE-UHFFFAOYSA-N 491.621 2.168 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)N1CCc2ccccc2C1 1760218215 ATDBHFFRCCERCQ-NZQKXSOJSA-N 465.623 2.090 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCS(=O)CC1 1760313064 IHNWTTZKVYSILU-PKOBYXMFSA-N 478.018 2.411 30 10 JEEE C=CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1760421290 JZPGMLZXYKASTN-GOSISDBHSA-N 460.966 2.169 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](OCc2ccccc2)C1 1760514966 PUEZQZWZPUVJJH-LJQANCHMSA-N 461.526 2.023 30 10 JEEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 1760527206 OXBPQIRJJHJZOS-HSZRJFAPSA-N 487.004 2.306 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCN(C(=O)NCC)CC1 1760528113 SGCIVQKIFLVPNI-UHFFFAOYSA-N 496.399 2.318 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC2CCN(C(=O)OC)CC2)C1 1760536163 DKCQPBPAWQTEIN-AUSIDOKSSA-N 463.579 2.190 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1760551889 VQKDPTGKBFFTKO-ROUUACIJSA-N 494.017 2.455 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCOC[C@H]1C 1760554316 ZKGNBSDXBMQBOM-QGZVFWFLSA-N 486.598 2.062 30 10 JEEE COc1ccc(-c2nnc(N3CCN(CC(=O)[C@H](C#N)c4nc5ccccc5n4C)CC3)nc2O)cc1 1859428138 MBLSMAVYWMJSCS-IBGZPJMESA-N 498.547 2.138 30 10 JEEE N#Cc1ccc(COc2cn(Cc3ccncc3)c(CN3CCC(C(N)=O)CC3)cc2=O)cc1 1870348151 LGJPMSGVZLDHBO-UHFFFAOYSA-N 457.534 2.440 30 10 JEEE C#CCOc1cn(CCc2ccc(OCC)c(OCC)c2)c(CN2CCN(CCO)CC2)cc1=O 1870563955 UTBSPOKRDHVHNR-UHFFFAOYSA-N 483.609 2.010 30 10 JEEE CCCN(CCC)C(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1cc(OC)c(O)c(OC)c1 1874434529 JSODUXRRSHQOES-WYMPLXKRSA-N 492.602 2.260 30 10 JEEE Cc1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2CO)cc1B1OC(C)(C)C(C)(C)O1 1963042477 RPUJQXAPMSNJQS-SFHVURJKSA-N 460.380 2.348 30 10 JEEE CN[C@](C#N)(Cn1cnc(I)c1I)C1(C)CC1 2018305578 COJJBCOSTRQZJV-LLVKDONJSA-N 456.069 2.374 30 10 JEEE C#CCN(C(=O)[C@@H](F)C1(O)CN(C(=O)OC(C)(C)C)C1)C1CCN(C(=O)OC(C)(C)C)CC1 2136185512 JFRAQZLBOIKFFC-QGZVFWFLSA-N 469.554 2.168 30 10 JEEE CCn1cc(C(=O)NCC2CN(C(=O)OCc3ccccc3)C2)nc1B1OC(C)(C)C(C)(C)O1 2255815287 LOZYTHRZEKQTCG-UHFFFAOYSA-N 468.363 2.201 30 10 JEEE CC[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 2256639664 DUEUJYHGWCRFQF-QWHCGFSZSA-N 452.386 2.233 30 10 JEEE Cc1nn(C)c(C(=O)N[C@@H](C)C(C)(C)NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267142675 XLLZJJDDHFQFFZ-AWEZNQCLSA-N 450.389 2.449 30 10 JEEE Cc1nn(C)c(C(=O)NC[C@H](NC(=O)OC(C)(C)C)C(C)C)c1B1OC(C)(C)C(C)(C)O1 2267146725 OZXRMAQWOCMKNC-HNNXBMFYSA-N 450.389 2.307 30 10 JEEE COCC1(NC(=O)OC(C)(C)C)CC(NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)C1 2267281487 VMGHUKLFDJCAON-UHFFFAOYSA-N 450.341 2.381 30 10 JEEE CCN(CCN(CC)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)C(=O)OC(C)(C)C 2267496963 HCIKZCKXXCYPEK-UHFFFAOYSA-N 450.389 2.438 30 10 JEEE CN(Cc1csc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)[C@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C 2268646166 SUOUQMNJSGANAB-HZPDHXFCSA-N 466.409 2.376 30 10 JEEE CC(C)(C)OC(=O)NCC1(C(=O)NCc2cc(B3OC(C)(C)C(C)(C)O3)cs2)CC(O)C1 2268707944 WSKRNWGMCXMLJN-UHFFFAOYSA-N 466.409 2.329 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@@H]1CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1F 2281786721 HHBVKFXTNJHGDH-INIZCTEOSA-N 464.343 2.491 30 10 JEEE CC(C)n1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O 2281821980 HIKKCHYALLVLJX-SJLPKXTDSA-N 463.384 2.078 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](C1)C2NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2282172251 UHYWDRYDRFXPJM-FKEKPDDDSA-N 458.368 2.151 30 10 JEEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)Nc1nc2c(s1)CN(C(=O)OC(C)(C)C)C2 2282177456 ZQXZEOMBIAPUAY-UHFFFAOYSA-N 476.368 2.074 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC1(O)CCN(C(=O)OC(C)(C)C)CC1 2282577209 BIUASKRUAWDCCT-UHFFFAOYSA-N 481.424 2.243 30 10 JEEE Cc1c(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282598626 MGJQWNLTSMEJAO-GDBMZVCRSA-N 462.400 2.403 30 10 JEEE Cn1nc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]3CC[C@H]32)cc1B1OC(C)(C)C(C)(C)O1 2282618774 OJRJFULWPZBLGB-UXLLHSPISA-N 460.384 2.237 30 10 JEEE CC1(C)OB(c2cncc(S(=O)(=O)N[C@@H]3CCOC[C@@H]3OCc3ccccc3)c2)OC1(C)C 2282864157 ZNHHWWQYGALNCD-RTWAWAEBSA-N 474.388 2.033 30 10 JEEE CC(C)(C)OC(=O)N1[C@H](C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)C[C@H]2OCC[C@@H]21 2283963172 IFDXXHWRZBXPQN-HRCADAONSA-N 459.352 2.486 30 10 JEEE COC1(C(=O)NCCc2ccccc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2283989373 LYHFJUBMGXPPNE-UHFFFAOYSA-N 460.380 2.280 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@@](O)(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2284049080 OVCVBPJJNTZWDF-QFIPXVFZSA-N 465.331 2.220 30 10 JEEE Cc1nc(NC(=O)[C@@H]2C[C@@H](NC(=O)OC(C)(C)C)CCO2)ncc1B1OC(C)(C)C(C)(C)O1 2284136984 IYUZQXFTABOTLL-HOCLYGCPSA-N 462.356 2.095 30 10 JEEE COC(=O)C1(C(=O)NCCC#CB2OC(C)(C)C(C)(C)O2)CCN(C(=O)OC(C)(C)C)CC1 2287047356 UBFOSWRJDZVZDY-UHFFFAOYSA-N 464.368 2.318 30 10 JEEE CCOc1ccc(OCc2nnc(SCC(N)=O)n2N=Cc2ccc(OC)c(O)c2)cc1 2326660420 ZXTSLGSWXZEKEK-UHFFFAOYSA-N 457.512 2.430 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2C[C@H](C)CN(C(=O)OC(C)(C)C)C2)n1C 2362334182 WTLJMCIJBYSLIA-GOEBONIOSA-N 462.400 2.403 30 10 JEEE COC(=O)c1ccc(/C=N/Nc2nnc(SCC(=O)NCc3ccccc3Cl)n2N)cc1 20913301 NDJVVWYRFSWPLW-YSURURNPSA-N 473.946 2.286 30 10 JEEE COC(=O)c1[nH]c(C)c(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccc(F)c2)c1C 103098445 BUBMPIQAIOWBLO-NNWMPZTLSA-N 485.512 2.311 30 10 JEEE CCCCCCCCO[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 105496057 RNGLREVZONTJLS-CDJZJNNCSA-N 460.520 2.447 30 10 JEEE in-vitro C=CCN1C(=O)c2ccc(C(=O)NCc3ccc(S(=O)(=O)N4CCCC4)cc3)cc2C1=O 499965781 PCQYAUZOHURQSN-UHFFFAOYSA-N 453.520 2.183 30 10 JEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2csc(I)c2)CC1 502917227 CAOMYCOYLYNWFI-UHFFFAOYSA-N 487.344 2.371 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)C[S@](=O)CC(=O)Nc3nc(C)c(C(C)=O)s3)cc21 586354654 FEBURJIMFUIFQS-YTTGMZPUSA-N 475.548 2.136 30 10 JEEE C=CCN1C(=O)c2ccc(-c3nc(CC(=O)Nc4c(C)n(C)n(-c5ccccc5)c4=O)no3)cc2C1=O 904264455 WRUMLWJOYURZGH-UHFFFAOYSA-N 498.499 2.498 30 10 JEEE COC(=O)c1ccc(C=NNc2nnc(SCCC(=O)NCc3ccc(F)cc3)n2N)cc1 1084092096 PFRXIZSGFSOHRR-UHFFFAOYSA-N 471.518 2.162 30 10 JEEE COc1ccc(C=NNc2nnc(SCC(=O)Nc3nc4ccccc4s3)n2N)cc1O 1084597726 DYMLFCDCIIBLOC-UHFFFAOYSA-N 470.540 2.493 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCC[C@@H](O)C1)[C@H]1CCS(=O)(=O)C1 1286383994 OTYKUEGVFBLVJB-HYVNUMGLSA-N 496.431 2.214 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H]1CCCO[C@@H]1C(C)C)[C@H]1CCS(=O)(=O)C1 1286387358 QDWZUMDBHHBLOA-PCCBWWKXSA-N 457.600 2.418 30 10 JEEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCCN1CCC(O)CC1 1286413845 OGMVPVRHBGRLPF-UHFFFAOYSA-N 484.645 2.312 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2CC2(SC)CCC2)CC1 1286485949 DGIBEPBTSJIFII-UHFFFAOYSA-N 460.648 2.448 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C/C=C/CC)CC1 1286486739 IAAHZEMOBWIJPW-BQYQJAHWSA-N 484.626 2.127 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2ccco2)CC1 1286492459 GBOQZNQWNVWCIE-FQEVSTJZSA-N 498.584 2.194 30 10 JEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1286600690 CVIYCTYLXOXJBA-UHFFFAOYSA-N 469.546 2.342 30 10 JEEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1286675158 LUSUKCHFHIDSTN-JOCHJYFZSA-N 487.693 2.234 30 10 JEEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(S(C)(=O)=O)CCCC1 1286722844 UWYSHFXGPASJTC-UHFFFAOYSA-N 456.572 2.172 30 10 JEEE C=CCOc1ccccc1Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1286798144 CTBGRYINYIYUJJ-UHFFFAOYSA-N 496.656 2.461 30 10 JEEE CC(C)(C)OC(=O)NCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccccc2C#N)CC1 1287069980 BTCXPTOBOHETNW-UHFFFAOYSA-N 494.600 2.123 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCN1CCN(C)C(C)(C)C1 1300270096 BCILCXUBQNLGER-SFHVURJKSA-N 472.037 2.345 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@H]1CCCSC1)[C@H]1CCS(=O)(=O)C1 1300500893 FTXYDFAMCLAOHZ-AEFFLSMTSA-N 465.670 2.404 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1nnc2n1CCC2 1300625262 DOBDTGNRFCDZOJ-KRWDZBQOSA-N 454.579 2.438 30 10 JEEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1300763000 SXFYRVGEQXIROK-INIZCTEOSA-N 459.538 2.433 30 10 JEEE C=C(Br)Cn1c(N2CCN(C(=O)[C@H]3CCCO3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1300862708 CNAQIUKVUZWXEN-DYESRHJHSA-N 498.422 2.055 30 10 JEEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1CCCc2c1cnn2C 1301188207 HMJVOXLCPWOACB-AZUAARDMSA-N 477.635 2.215 30 10 JEEE C=CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1301452445 NMKSZNFXYFUDAW-ZWKOTPCHSA-N 482.651 2.344 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1301483936 YLPCYVATDCCTJZ-IBGZPJMESA-N 480.573 2.314 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1301492336 FOIOLUUJDRBRNJ-KRWDZBQOSA-N 456.938 2.090 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H](NC(C)=O)C1 1301567923 AODWULAMNFLQQR-VQIMIIECSA-N 479.578 2.263 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCC(NC(=O)c2ccsc2)CC1 1301568045 CERWELZYYIZFOL-UHFFFAOYSA-N 451.618 2.463 30 10 JEEE C=CCSCCn1c(CC2CC2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1301618652 TYJNUMZSLXXHLY-UHFFFAOYSA-N 460.648 2.090 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCC[C@H](O)C1 1301772066 CQTLSQNTRCRAKO-RTWAWAEBSA-N 454.575 2.492 30 10 JEEE Cc1nsc(N2CCN(C(=O)N[C@H]3CCCN(C(=O)Cc4ccccc4)C3)CC2)c1C#N 1312568352 FWTYGPVVMQGCCV-IBGZPJMESA-N 452.584 2.389 30 10 JEEE CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)c2nccs2)CC1 1313989450 BMBAZQCVGZIETF-QGZVFWFLSA-N 464.599 2.335 30 10 JEEE CN(C)C(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1314631080 ADFYAPSXIFQWGA-UHFFFAOYSA-N 469.553 2.278 30 10 JEEE CN(c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CCCCCC1)[C@@H]1CCS(=O)(=O)C1 1314700872 HHGJCHXFGFETQA-LJQANCHMSA-N 473.599 2.437 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1CCCNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1358955446 LZZXXYQLLRVROK-INIZCTEOSA-N 453.609 2.117 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC(C)(C)c1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1358955575 ORLOSMQGQUXAHI-LJQANCHMSA-N 487.626 2.029 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCc1ccc(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1358961991 ICIRSMQAWHJXQJ-TZIWHRDSSA-N 488.610 2.406 30 10 JEEE C#CCN(CC#CC)c1nnc(COc2ccc(C#N)cc2)n1C[C@H](N1CCOCC1)C(F)(F)F 1358998094 PTQPEXSLYITPHF-NRFANRHFSA-N 486.498 2.455 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H](C)c1ccc(OC)cc1 1359010580 UCYKVBCFAWAFIY-WIYYLYMNSA-N 475.615 2.273 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C)C(=O)C1 1359089165 CMUJLJLOALRBGL-WIYYLYMNSA-N 452.559 2.407 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(C)CC1 1359099213 LFOCFGJKZYPEFK-QRVBRYPASA-N 467.636 2.219 30 10 JEEE C=C(C)COCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](C(=O)NC)C1 1359133163 MMUWKSHSDHJJER-RBUKOAKNSA-N 492.621 2.142 30 10 JEEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C)cc2)C(=O)C1 1359198350 ONEPLWALYRXNRL-SFHVURJKSA-N 460.604 2.406 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1359296761 TWYFONGHMJEKDB-MJGOQNOKSA-N 482.585 2.007 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccccc1Cl 1359326688 HXOFCDPSPUMPFG-UHFFFAOYSA-N 451.980 2.405 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCN2CCOC[C@@H]2C1 1359327612 GJXKLNBFWXAZPC-MJGOQNOKSA-N 496.033 2.193 30 10 JEEE CC(C)(C)S(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1359586908 BFXDHSOELWZEBS-OAQYLSRUSA-N 486.642 2.189 30 10 JEEE C=CCN(C(=O)c1cnn([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1)[C@H]1CCS(=O)(=O)C1 1464402639 UKKXBZVLHQQTDH-MSOLQXFVSA-N 452.577 2.270 30 10 JEEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2ccc(OC)c(F)c2)CC1 1507572085 XAGDOWQDFAKUHJ-UHFFFAOYSA-N 454.550 2.397 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1507626241 DPWKVIHBDOVXGA-SFHVURJKSA-N 489.598 2.105 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCC1CCC(OC)CC1)[C@H]1CCS(=O)(=O)C1 1507631335 CTGLYHPPXDNPRD-KAXARAQCSA-N 450.605 2.004 30 10 JEEE C#CCN(c1nnc(CSc2ccc(C)cc2)n1CC[S@](=O)CC)[C@@H]1CCS(=O)(=O)C1 1507638411 QMBDPIPLZGHVOM-VPTFNQTCSA-N 480.681 2.274 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCO[C@H]2CCCC[C@H]2C)CC1 1507715674 GPEONPCOKDBGHG-UXHICEINSA-N 451.575 2.276 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2cc3ccccc3s2)CC1 1507721235 ICRHWFQVWOKLIJ-KRWDZBQOSA-N 472.640 2.101 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CCCOC(F)(F)F)CC1 1507740391 SAFOTPDSBUNLQM-UHFFFAOYSA-N 450.465 2.156 30 10 JEEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1cccs1 1507751871 SKDDFONATPBHLJ-IRXDYDNUSA-N 481.669 2.380 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCNC(=O)C(C)(C)C 1507764291 MJOIZUXAXDFEDV-XMMPIXPASA-N 486.642 2.350 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1507805262 OTMUQAJBJKOXJK-OFNKIYASSA-N 488.658 2.495 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1507808711 UVOZYWRLAOQHKS-BPDSMXLESA-N 450.580 2.368 30 10 JEEE C=C(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1507832153 PMOQMSIHCRKTQK-IBGZPJMESA-N 459.620 2.432 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CCSC1 1508040176 UDPSZQQIHGFPTC-HTAPYJJXSA-N 483.635 2.093 30 10 JEEE C=CCNC(=O)Cn1c(N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)nnc1[C@]1(OC(C)C)CCOC1 1508098305 OGNUAGLJIMUTCZ-UUOWRZLLSA-N 492.621 2.067 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H]2CCOC2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1508103648 HKIAVPKLGODNGB-IBGZPJMESA-N 475.615 2.255 30 10 JEEE C[C@H](Cn1c(-c2ccc(F)cc2Br)nnc1N1CCO[C@H](C#N)C1)N1CCOCC1 1510023816 DDHFMGYSFILKBK-GDBMZVCRSA-N 479.354 2.296 30 10 JEEE C#CCCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1539044523 CKNPHFCSCDXTOT-GOSISDBHSA-N 463.590 2.377 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC(C)(C)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1539220330 ISGWGHKUTLEHFV-QZTJIDSGSA-N 495.646 2.102 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(Cl)cc2)CC1 1539467143 NNGBOEAUGOUQEZ-UHFFFAOYSA-N 454.962 2.182 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2Cc2c(CC)nn(C)c2OC)CC1 1539470520 SRHZFELGMRLLPR-UHFFFAOYSA-N 491.596 2.272 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1539624281 RLYRFZIFQLEUHR-QFBILLFUSA-N 481.022 2.493 30 10 JEEE C=CC1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCS(=O)(=O)N(C)C)CC1 1539884378 IXTAZBYLMKBABW-UHFFFAOYSA-N 455.588 2.425 30 10 JEEE C=CCCCCn1c([C@H]2CCCO2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1539975564 WHSYXKSCGCENMM-GOSISDBHSA-N 463.608 2.039 30 10 JEEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)c2c(F)cccc2F)CC1 1540040348 SAHHFEQEJOZYEZ-UHFFFAOYSA-N 488.539 2.234 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC(=O)NC(C)C 1540147261 OJYPQRAQXJYQEF-INIZCTEOSA-N 451.618 2.349 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCCN(C(=O)CCc2ccccc2)CC1 1540870822 XTUUVMBWXGKREA-QFIPXVFZSA-N 480.613 2.493 30 10 JEEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N(C)Cc1ccc(Br)cc1 1540874206 YDIKJGLJQFESIM-UHFFFAOYSA-N 461.364 2.102 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1540896025 DUDFROZLYZEZFI-VNTMZGSJSA-N 481.663 2.260 30 10 JEEE CC(C)NC(=O)CN(C)c1nnc(-c2ccc(C#N)cc2)n1CC1CCN(CCN(C)C)CC1 1541692818 FAQNOCVXDMYVGG-UHFFFAOYSA-N 466.634 2.051 30 10 JEEE C=CCNc1ncc(C(=O)N2CC[C@@H](N3C(=O)O[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]43)C2)s1 1558066608 VURAILMUPMVPDA-KFWWJZLASA-N 463.560 2.396 30 10 JEEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2cc(C(F)(F)F)cc3c2OCC(=O)N3)cc1 1558945630 UKCKBWGSEZGSEA-UHFFFAOYSA-N 453.398 2.200 30 10 JEEE C#CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1587765977 NIHCKNIPFUTWSI-FCHUYYIVSA-N 456.635 2.499 30 10 JEEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1587818288 UHXUJXRROCBBGS-INIZCTEOSA-N 481.420 2.453 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ccc(OC(F)F)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1588049649 KJXBGIAXNQUAMV-OAHLLOKOSA-N 492.483 2.151 30 10 JEEE CC(=O)c1ccc(S(=O)(=O)NCC(=O)N[C@@H](C#N)c2ccc(Br)cc2)cc1 1588244461 IHRWXOZNQQCGNG-KRWDZBQOSA-N 450.314 2.311 30 10 JEEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1(OC)CCCC1 1588646034 GERURBJUINORNG-UHFFFAOYSA-N 453.591 2.497 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(C(=O)N3CCCC3)n2Cc2c(C)coc2C)n1 1588695901 JOKOYSWQAHTELU-UHFFFAOYSA-N 465.558 2.255 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2Cc2ccc(-n3nc(C)cc3C)nc2)CC1 1588752785 VTKHQVPBUXRPCQ-NRFANRHFSA-N 478.601 2.003 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCC[C@H]2CCCCO2)CC1 1588864919 LVEBCIMGMCBCIT-LJQANCHMSA-N 456.616 2.374 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1589496233 WTVTVQXEVZNVDN-RDGPPVDQSA-N 451.568 2.260 30 10 JEEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2cc(C)ccc2OC)CC1 1589708614 QSTUJJOTZDRFKB-GOSISDBHSA-N 462.620 2.104 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCCN(C(=O)CCc2ccccc2)CC1 1595523072 OVFLKAMWWFQATJ-UHFFFAOYSA-N 473.581 2.314 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H]3CCOC3)nnc2N2CCC[C@H](CNS(C)(=O)=O)C2)cc1 1595614563 XNGUEKCMTSPIHQ-WOJBJXKFSA-N 475.615 2.161 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCC(=O)NC(C)(C)C)C1 1595700616 PYVFTJAIPUQANA-IBGZPJMESA-N 465.562 2.007 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1C[C@@H](C)N(C)C1CC1 1609508691 DYLDDBZSHZPRRX-UTKZUKDTSA-N 451.575 2.349 30 10 JEEE CC[C@@H](C)[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCn2nc(C)nc2C1 1613123533 HEURYTBRJWVLCA-WAIKUNEKSA-N 450.547 2.446 30 10 JEEE N#Cc1cccc(S(=O)(=O)NCC(=O)Nc2ccc(=O)n(Cc3ccccc3Cl)c2)c1 1638196110 AZMMQLKVQIHTPP-UHFFFAOYSA-N 456.911 2.339 30 10 JEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@@]2(CC(=O)c3ccccc3O2)C1 1645462581 BDZZVRHNYAYMIR-QMHKHESXSA-N 453.520 2.252 30 10 JEEE C#CCN1CCC(NC(=O)c2ccc(OS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)cc2)CC1 1645781757 QLCZHFWOIQKWGP-UHFFFAOYSA-N 457.508 2.498 30 10 JEEE COC(=O)c1ccc2c(c1)CN(CC(=O)N1CCN([C@@H](C#N)c3ccc(F)cc3)CC1)CC2 1652989602 CWRYRTVMHLVTIV-QHCPKHFHSA-N 450.514 2.379 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCN(C)CCCOC 1689853458 TYIQYNXKHWNLOX-OALUTQOASA-N 464.611 2.013 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)CC)n2CCC(=O)N2CCOCC2)c1 1689868242 ALCXACWGIDCGMH-SFHVURJKSA-N 452.559 2.097 30 10 JEEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(F)(F)C1(OC)CCOCC1 1689951288 ROQZQRVIXBJFRH-UHFFFAOYSA-N 468.526 2.249 30 10 JEEE C#CCN(C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1689955382 FKESNJSYPIASEO-FXAWDEMLSA-N 473.599 2.236 30 10 JEEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1689978228 POEYWFNHQLBTJA-HSALFYBXSA-N 487.649 2.061 30 10 JEEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1689982317 KRKZTBPWRQINTG-AUSIDOKSSA-N 476.574 2.133 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1(C(=O)N(C)C)CCCC1 1690042980 KXKMISHFSQROML-UHFFFAOYSA-N 495.653 2.350 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccc(CSC)c2)CC1 1690144254 RJKJHPNMYPNVCK-FQEVSTJZSA-N 466.611 2.106 30 10 JEEE C#CCSCCn1c(COc2ccc(C)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1690182978 IWFWTSFWVMKLNN-NRFANRHFSA-N 469.611 2.360 30 10 JEEE C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C)C(C)(C)C1 1690228705 CYKIHAMCTWXSBA-ZFWWWQNUSA-N 476.441 2.392 30 10 JEEE C=C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)N2CCSCC2)CC1 1690369047 WAYHVHKZYPKUAY-UHFFFAOYSA-N 458.613 2.352 30 10 JEEE C=CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1690471014 RLCOYHUXVOBCPW-UHFFFAOYSA-N 493.612 2.384 30 10 JEEE C=CCCCn1c(Cc2ccccn2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1690486775 TXHNOXASKCYUEG-HSZRJFAPSA-N 453.635 2.461 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1690664209 LGGQUWBHHFEIJK-IFMALSPDSA-N 452.603 2.357 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1 1690672943 ITBPJURVWBTLHV-UHFFFAOYSA-N 479.972 2.182 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl 1690714112 FEVSCKWZYFZUGL-DYVFJYSZSA-N 464.419 2.037 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N(C)CC(=O)Nc1cc(F)cc(F)c1 1690723697 YNBHFHFXBAIXHH-UHFFFAOYSA-N 453.515 2.500 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 1690726563 DPTGNGMZWHCGPT-IBGZPJMESA-N 490.630 2.358 30 10 JEEE CN1CC[C@@](O)(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H](OCC(F)(F)F)C2)C1 1696874944 AGIWOXRRFMRTJD-RXVVDRJESA-N 464.492 2.431 30 10 JEEE COc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@@](C)(C#N)C2)cc1OC 1697452746 CUNRVJUIXAJRLA-JTSKRJEESA-N 459.572 2.376 30 10 JEEE COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2C[C@@H](C)C[C@H](C)C2)CC1 1697707760 HJAXIXQKKVKJPP-SFTDATJTSA-N 479.629 2.480 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccncc2Cl)c1 1705506900 LRHFNZSVVXJCMN-SFHVURJKSA-N 498.996 2.333 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCN(C)[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1705570184 KZPUGRVOXXLGSM-NQIIRXRSSA-N 461.607 2.365 30 10 JEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1CCCn1cccn1)[C@H]1CCS(=O)(=O)C1 1705571241 XEVZWVUKYJLXFK-FQEVSTJZSA-N 473.002 2.436 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cc(OC)ccc2OC(F)F)CC1 1705632704 ZKMMWCSRIPHFSL-UHFFFAOYSA-N 497.506 2.339 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CC[C@H](OC)C(F)(F)F)CC1 1705637270 PISXYLUWTJKZSE-IBGZPJMESA-N 465.476 2.439 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCc2ccc(F)c(F)c2F)CC1 1705643598 LVKIEPUABURAPQ-UWJYYQICSA-N 463.504 2.417 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](CC)c2ccccc2)CC1 1705648309 QPAQRVVXJABCPB-SIKLNZKXSA-N 483.638 2.340 30 10 JEEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1705664957 GKZXFWGPNRUXGW-CEWLAPEOSA-N 488.702 2.352 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@@H](C(=O)NC)C1 1705700970 AXQCZCSZHPWMTP-DLVCFXQMSA-N 461.513 2.080 30 10 JEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](c2nc(CC)cs2)C1 1705890888 OIGMKZLPXHMNSA-RDJZCZTQSA-N 466.633 2.200 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1705907081 ZIFZNJLMLTUSMT-UHFFFAOYSA-N 477.569 2.012 30 10 JEEE CC(=O)NC[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2ccn(C)n2)C1 1706040475 FQAYXUHQMQJLJI-HXUWFJFHSA-N 462.558 2.057 30 10 JEEE CC(C)N1CCC[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)C1 1706570861 CAANYNWWWZULIN-PZJWPPBQSA-N 485.658 2.407 30 10 JEEE CN(C)C(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(c2ccnn2C)CC1 1710983814 HHORSFIZJYXBKW-UHFFFAOYSA-N 462.558 2.325 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CC[S@](=O)C(C)(C)C 1712442580 BWNBVOYEMHDAEG-FPYOTAMTSA-N 472.615 2.301 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCC(=O)N2)n1CC1(O)CCCCC1 1712442613 DAEMAFXGTAUSLO-HXUWFJFHSA-N 452.559 2.449 30 10 JEEE C#CCCCn1c(COc2ccccc2F)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1722340399 WPSGFXSDJMFSKA-FQEVSTJZSA-N 454.506 2.176 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1Cc1c(F)cccc1Cl)[C@H]1CCS(=O)(=O)C1 1722360468 IBKLVAXYNDAHTP-AWEZNQCLSA-N 460.922 2.203 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3)n2CC(C)(C)C(=O)NC)CC1 1722434171 LQPWXFDOIWIZHE-UHFFFAOYSA-N 459.392 2.235 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2Cc2nncn2CC)CC1 1722435967 SWRCZRDKVVVBBM-UHFFFAOYSA-N 464.574 2.157 30 10 JEEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2Cc2ccccc2OCCOC)CC1 1722439477 DDUSHYMAJVZBOG-UHFFFAOYSA-N 466.611 2.463 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@H]2CCCOC2)CC1 1722450098 XIPRNEZMPAJIDO-OAQYLSRUSA-N 465.598 2.464 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCN(Cc3nc(COC)no3)CC2)nnc1C(C)(C)C 1722499321 IKRALNGPEOJQOW-PXNSSMCTSA-N 459.595 2.408 30 10 JEEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2cccc(F)c2[C@@H]1C 1722630165 WVGUYGZTPKSWDA-FXAWDEMLSA-N 493.605 2.467 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)cn1 1722664260 UXCNECHVJCJHIG-LJQANCHMSA-N 492.602 2.448 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCOc2ccccc2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1722730043 GNQHPKIBBRXJFM-XMMPIXPASA-N 490.626 2.275 30 10 JEEE CCNC(=O)C(C)(C)Cn1c(-c2cccc(C)n2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1728645770 CLLZAPURFCOQOT-SFHVURJKSA-N 488.600 2.188 30 10 JEEE CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCOC1 1729189226 ALSOQQYZFGFSBH-IEBWSBKVSA-N 461.588 2.415 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1coc(-c2ccc(C)cc2)n1 1740554392 YXVDTZBKSBSAFH-FXAWDEMLSA-N 484.582 2.081 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(Oc2ccc(C)cc2)CC1 1740589796 BPCAGBGNTZZIFD-QFIPXVFZSA-N 487.626 2.381 30 10 JEEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CCCC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1740619645 QBNDLPWKETWXDS-PGRDOPGGSA-N 452.621 2.383 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1ccccc1OCC)[C@@H]1CCS(=O)(=O)C1 1740624776 JWIVVSOXDYXNBW-OAQYLSRUSA-N 465.579 2.338 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1oc(CCC)nc1C)[C@@H]1CCS(=O)(=O)C1 1740624813 KLYNNZWDXYSQMD-LJQANCHMSA-N 468.583 2.188 30 10 JEEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1C[C@](C)(O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1740627534 IESYGGXIQHKTSC-YKSBVNFPSA-N 472.611 2.262 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1CCNS(=O)(=O)c1ccccc1 1740631902 YILGWRHVUHIUTA-UHFFFAOYSA-N 487.383 2.087 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(F)c(Cl)c2)CC1 1740706162 QJTXZSOSXOZXPE-GOSISDBHSA-N 458.925 2.036 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OCC)n2Cc2ccn(C)n2)CC1 1740707806 QIOFUUSCOGDKCX-UHFFFAOYSA-N 477.569 2.003 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(N(C)C(=O)OCC)CC1 1740756031 DYJOBOCUWVZMIJ-QRFRQXIXSA-N 460.579 2.268 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(N2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)nnc1C(C)(C)C 1740766978 LXTIPXWZSYIXEY-UYAOXDASSA-N 491.662 2.110 30 10 JEEE C=CCOc1ccc(Cn2c(C(C)C)nnc2N2CCN(C(=O)C(=O)NC(C)C)CC2)cc1 1740965416 JANWJGFIGUZPIL-UHFFFAOYSA-N 454.575 2.188 30 10 JEEE C=CCNC(=O)Cn1c(N2CCO[C@@H](Cc3ccccc3)C2)nnc1[C@]1(OC(C)C)CCOC1 1740966205 WVEHLHATRBUPLT-OFVILXPXSA-N 469.586 2.069 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 1740986087 RTNRBAYJFNIBSF-LJQANCHMSA-N 498.613 2.181 30 10 JEEE CCO[C@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@H]2CN(CC(C)C)CCO2)CCOC1 1746710556 ICLMTEKYNIAWLU-FGCOXFRFSA-N 460.623 2.417 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OCC)CCOC3)n2CCN2CCCCC2)c1 1748692506 YJQVVOWLCICAMX-SANMLTNESA-N 480.613 2.472 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H](C1CC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1748802881 SOWMPBIVGRUPLA-YADHBBJMSA-N 498.653 2.114 30 10 JEEE C#CCN(c1nnc(C(C)C)n1CCc1cnn(-c2ccccc2)c1)[C@@H]1CCS(=O)(=O)C1 1748802921 UAOGEMZTSSZFPC-OAQYLSRUSA-N 452.584 2.457 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@@H]1CSCCS1)[C@@H]1CCS(=O)(=O)C1 1748818977 IEESZUSTQGFIFM-QZTJIDSGSA-N 480.656 2.483 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC[C@@H]2CCO[C@@H](C)C2)CC1 1749003588 ODOULRBGOCDDHB-UZINWLIJSA-N 487.645 2.490 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H](C)COC)CC1 1749003736 UCZHSIJNSCMXMO-CQSZACIVSA-N 463.380 2.284 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1749141269 XYCGPHBXXXQKNG-URXFXBBRSA-N 474.650 2.320 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@]1(OC)CCOC1 1749547061 KANMZJZMXXFNMG-PGRDOPGGSA-N 464.563 2.317 30 10 JEEE C=CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1749627628 SXVCJGOFXRAMOZ-QGZVFWFLSA-N 482.651 2.439 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 1749658250 IULINNFJCILIJW-GOSISDBHSA-N 462.514 2.203 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCC(Oc2cncc(Cl)n2)CC1 1749666142 IAELIHAXRKZPLI-UHFFFAOYSA-N 468.949 2.442 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CC[C@H](CN2CCOCC2)C1 1749679765 AOEQHHWKLYKRFK-HXUWFJFHSA-N 470.643 2.340 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(C(=O)C(C)C)CC2)cc1 1749683262 NTNZJIOJRLOPQJ-UHFFFAOYSA-N 454.575 2.334 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN([C@@H](C)c2cccc(OC)c2)CC1 1749683325 POOIOYNPNKOEEL-GHTZIAJQSA-N 454.575 2.324 30 10 JEEE N#C[C@]1(F)CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCC2(O)CCOCC2)C1 1750379242 DBLLKFHQFGCNGO-QGZVFWFLSA-N 453.316 2.409 30 10 JEEE CC(C)(C)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CCCN1CCOCC1 1750449772 BLKUTRWANYCSKQ-UHFFFAOYSA-N 451.619 2.492 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCc1cnn(C)c1 1760100737 DUYTWVTWJTWAHL-INIZCTEOSA-N 454.604 2.371 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H](c1ccc(F)cc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1760189398 OTKCUPJVHUQSJV-FCHUYYIVSA-N 482.585 2.409 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1CC[C@H](C(F)F)N1CCOCC1 1760196079 OEHVIHPUZWOKHO-QGZVFWFLSA-N 481.345 2.465 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1N1CCCCC1 1760206289 VMXINVMAWFQJGE-OAQYLSRUSA-N 451.596 2.292 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2Cc2ccc(NC(C)=O)nc2)CC1 1760254894 OYDQCPLQVRFPNR-UHFFFAOYSA-N 475.553 2.119 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccccc3Br)n2CCCc2cnn(C)n2)CC1 1760257794 ABVZJOSRBYDQQH-UHFFFAOYSA-N 469.391 2.224 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)C(F)(F)F)CC1 1760265048 MCPSIJMOEZZKLH-UHFFFAOYSA-N 454.497 2.068 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCc2ccc(OC)c(F)c2)CC1 1760273492 WKALGNLOWWZUCL-OAQYLSRUSA-N 455.534 2.486 30 10 JEEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1760284281 KADBTHNINYEHPP-UHFFFAOYSA-N 453.616 2.357 30 10 JEEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2ncccc2F)CC1 1760310411 DOAYXQJVHXNGCR-UHFFFAOYSA-N 464.343 2.170 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1CC1CCS(=O)(=O)CC1 1760478993 YVECXTDIZIKOEW-UHFFFAOYSA-N 482.610 2.403 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCSC2(CCOCC2)C1 1760516194 XTCGOKBETAQHEI-UHFFFAOYSA-N 481.420 2.440 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(CCOC)[C@@H]1CC[C@@H](C)C1 1760521226 NBXZRQOTRDSYAW-QZTJIDSGSA-N 479.585 2.136 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 1760556617 KEDPQROHIMZSGB-UHFFFAOYSA-N 496.641 2.105 30 10 JEEE CC(C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](c2ccco2)N(C)C)CC1 1761262899 GLCSDARPYKXNKM-QFIPXVFZSA-N 490.612 2.359 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@@H]1CSCCS1 1761465747 FHUNHHNGYKNQMQ-RHSMWYFYSA-N 466.658 2.245 30 10 JEEE CN(C)C(=O)COc1cccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCC(CC#N)CC2)c1 1768464200 CIBGOSSIIBEFJJ-UHFFFAOYSA-N 479.585 2.159 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)OCc2ccccc2)CC1 1772567185 SLLIEWVJUCVUMV-HXUWFJFHSA-N 468.558 2.281 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)N(C)C[C@@H]2CCCO2)cn1C[C@H]1CCCO1 1870550168 LXMLCIHOVZQDBY-FCHUYYIVSA-N 459.587 2.218 30 10 JEEE COCCN1CC(=O)C(c2nc3ccccc3s2)=C1NC(=O)CCc1nc2ccccc2[nH]c1=O 1873711370 QKLRJDYMEVMKNX-UHFFFAOYSA-N 489.557 2.482 30 10 JEEE O=C1C[C@H](c2nnc(SCCO)n2/N=C/c2ccc(O)c(O)c2)CN1Cc1ccccc1 1874208712 MSMURHHVNZIYBT-FZJZADEZSA-N 453.524 2.172 30 10 JEEE CC(C)(C)OC(=O)NCCCN(CCO)C(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2255534731 LCJABTZFMPMHMN-UHFFFAOYSA-N 454.398 2.397 30 10 JEEE CN(CCNS(=O)(=O)Cc1ccccc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2255776176 BEUTUOOKGRZRMF-UHFFFAOYSA-N 454.398 2.272 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CC[S@](=O)(=NC(=O)c2occc2B2OC(C)(C)C(C)(C)O2)C1 2255812569 JABCQKAYESSDBS-CQMWEUJXSA-N 454.354 2.484 30 10 JEEE CC(C)(C)OC(=O)NC1CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2255933343 NXUOZNWPTLTBEN-UHFFFAOYSA-N 456.345 2.023 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@](C)(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2256620819 NHNKVLNMGBNYCO-FQEVSTJZSA-N 452.386 2.235 30 10 JEEE CC(C)(C)OC(=O)N1CCC=C[C@@]1(C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2256679492 XEBOMJQZXRHEAP-FQEVSTJZSA-N 450.370 2.153 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@](CF)(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2266728648 PYNDXDNWAPXENO-OAQYLSRUSA-N 450.320 2.311 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1COC[C@H]1NC(=O)c1cccc(F)c1B1OC(C)(C)C(C)(C)O1 2266982373 QIHDANTXASEQLQ-CVEARBPZSA-N 450.316 2.147 30 10 JEEE CC(C)(C)OC(=O)NCC[S@](C)(=O)=NS(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2267376169 ROQIZSUCGFNWAL-HKBQPEDESA-N 488.437 2.297 30 10 JEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC1(CCO)CN(C(=O)OC(C)(C)C)C1 2267521275 QTNYMVRZCVEYGO-UHFFFAOYSA-N 466.409 2.457 30 10 JEEE CNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2267705743 LJCGLPVVAYFJOS-UHFFFAOYSA-N 462.352 2.062 30 10 JEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CCC[C@@](CO)(NC(=O)OC(C)(C)C)C1 2281796871 OSFSGTHJKCIPJN-HSZRJFAPSA-N 464.368 2.379 30 10 JEEE CC(C)[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2281825555 UMUSAANNFYPYDN-KRWDZBQOSA-N 462.400 2.437 30 10 JEEE Cn1cc(C(=O)N2C[C@H]3CN(C(=O)OC(C)(C)C)CC[C@H]3C2)c(B2OC(C)(C)C(C)(C)O2)n1 2281961111 ITQMIEUIHVYBBS-JKSUJKDBSA-N 460.384 2.048 30 10 JEEE Cn1cc(C(=O)N[C@@H]2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)c(B2OC(C)(C)C(C)(C)O2)n1 2281980075 IDRDKTMEUMLGFX-HLLBOEOZSA-N 460.384 2.095 30 10 JEEE Cc1ccnc(C(=O)NC[C@H]2CCCCN2C(=O)C(F)(F)F)c1B1OC(C)(C)C(C)(C)O1 2282004737 LNBGYEKKPWTWJF-CQSZACIVSA-N 455.286 2.362 30 10 JEEE Cc1c(B2OC(C)(C)C(C)(C)O2)cccc1C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O 2282121767 UQLGXFDWPMOQDK-OALUTQOASA-N 460.380 2.394 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)[C@H]2CCC[C@H]12 2282536901 IVKGFJOQEINATA-OIISXLGYSA-N 460.384 2.237 30 10 JEEE C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)CCN1C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2282577800 JZVXSAGCPCFGDY-HZPDHXFCSA-N 462.400 2.485 30 10 JEEE Cn1cc(C(=O)NC[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2282584699 WIUCNSPCAMGJKW-GDBMZVCRSA-N 462.400 2.389 30 10 JEEE CN(C1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282856884 ZUTPOAJCCXADIK-UHFFFAOYSA-N 474.436 2.004 30 10 JEEE CC(C)(C)OC(=O)N1CC(O)(CC(=O)N2Cc3ccc(B4OC(C)(C)C(C)(C)O4)cc3C2)C1 2283965510 XFDTVVVEHLWOPS-UHFFFAOYSA-N 458.364 2.200 30 10 JEEE C[C@@H](O)CN(CCNC(=O)OC(C)(C)C)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2285350412 NQTQWKVYTDMTRX-OAHLLOKOSA-N 466.359 2.473 30 10 JEEE C[C@H]1CN(C(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)CC2(CN(C(=O)OC(C)(C)C)C2)O1 2288585617 GULUCZPTUQLBAL-HNNXBMFYSA-N 462.352 2.429 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@H](CCC(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2294992019 QKJZOBCQMUDNJB-MRXNPFEDSA-N 462.356 2.130 30 10 JEEE CCCn1c(N2CCN(C)CC2)c(C=C2SC(=S)N(CCOC)C2=O)c(C)c(C#N)c1=O 2314461369 JUQCWADYKPZSEI-UHFFFAOYSA-N 475.640 2.038 30 10 JEEE CCOc1ccc(OCc2nnc(SCC(N)=O)n2N=Cc2ccc(O)c(OC)c2)cc1 2326655789 SAUCSZPSLQLJSD-UHFFFAOYSA-N 457.512 2.430 30 10 JEEE Cc1c(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H]3C[C@H]23)c(B2OC(C)(C)C(C)(C)O2)nn1C 2359267991 NLPSKZAQFZHMHA-OWCLPIDISA-N 460.384 2.155 30 10 JEEE Cn1nc(C(=O)NC[C@@H]2[C@@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2359277951 JPBONNHDZOOLCZ-MGPQQGTHSA-N 480.802 2.358 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)CC12CC2 2362452446 OWVDLTKCDMWSAO-HNNXBMFYSA-N 460.384 2.381 30 10 JEEE CC(C)(C)OC(=O)NCC1(O)CN(c2cc(B3OC(C)(C)C(C)(C)O3)cc(C(F)(F)F)n2)C1 2365122858 ZNQDFFVJSOUVPQ-UHFFFAOYSA-N 473.301 2.475 30 10 JEEE CC(C)(C)OC(=O)N1Cc2nncn2C[C@@H]1C(=O)N1CC[C@](C)(B2OC(C)(C)C(C)(C)O2)C1 2368335629 JKJONMKPRNWTRL-QRQCRPRQSA-N 461.372 2.482 30 10 JEEE COc1cccc(/C=N/Nc2nnc(SCCC(=O)Nc3ccc(S(N)(=O)=O)cc3)[nH]2)c1 20832388 FFMSRMVNHKOWAU-CIAFOILYSA-N 475.556 2.028 30 10 JEEE C=CCn1c(=O)c2ccccc2n2c(S[C@@H](C)C(=O)NC(=O)NCC(F)(F)F)nnc12 24233075 AMALWHMXKWIBRT-JTQLQIEISA-N 454.434 2.099 30 10 JEEE NS(=O)(=O)c1ccc(NC(=O)C[C@H]2S/C(=N\C34CC5CC(CC(C5)C3)C4)NC2=O)cc1 72434764 CNWLHZNSLJEIIT-KLXDDXCJSA-N 462.597 2.219 30 10 JEEE CCOC(=O)c1ccc(/N=C2/S/C(=C/C(=O)OC)C(=O)N2CCCN2CCOCC2)cc1 101661730 DQTLHBLRTAKXRH-CMUDPEKHSA-N 461.540 2.205 30 10 JEEE CCOCCOCCOC(=O)C[S@](=O)CC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 586298583 HBGNHCBTKJVKFI-NGFNCXNUSA-N 456.586 2.028 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCC(F)(F)CNC(=O)OC(C)(C)C)s1 1138464503 BRXGCHWKWREGQN-UHFFFAOYSA-N 453.533 2.031 30 10 JEEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCN(C(=O)CCC4CCCCC4)CC3)CC2)o1 1167122227 CSMCCOILXISROA-UHFFFAOYSA-N 456.591 2.008 30 10 JEEE C#Cc1cccc(NC(=O)NC(=O)CN2CCN(Cc3cn4cc(Cl)ccc4n3)CC2)c1 1167294839 XMLZFHLNKKLJEV-UHFFFAOYSA-N 450.930 2.435 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1CC(C)(C)N1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1286386722 GLXGLJXHASZHDL-VQTJNVASSA-N 470.643 2.477 30 10 JEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(=O)Nc1ccc(F)cc1 1286414262 UNFNVORGEVHGAR-UHFFFAOYSA-N 472.528 2.303 30 10 JEEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCN1CCCCC1=O 1286432062 WPNBGRHWVAMIOC-UHFFFAOYSA-N 474.613 2.318 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(Br)cc3)n2C[C@](C)(O)CCOC)CC1 1286484273 HIQVIMPGYTUAOO-JOCHJYFZSA-N 492.418 2.162 30 10 JEEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1286500831 ZZCATGRKRJYTOZ-VGSWGCGISA-N 476.624 2.099 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)NCC)CC1 1286552874 SJCQLCZZLKIEDB-GGAORHGYSA-N 463.586 2.056 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1286568169 XVYMSGNFXLFJLZ-SIKLNZKXSA-N 474.631 2.105 30 10 JEEE C=C(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1286600702 FOPQOHCPLMKNJW-HXUWFJFHSA-N 463.586 2.438 30 10 JEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)cc1SC 1286726226 BYKXFZYRLXKSPS-QGZVFWFLSA-N 451.618 2.312 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCOC2=O)cc1 1286757465 OTWOLKWUVFXGML-SFHVURJKSA-N 457.556 2.364 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCN(C2CCCC2)CC1 1286779684 LRYHQLFBGJVKAP-UHFFFAOYSA-N 476.423 2.413 30 10 JEEE C=CCOc1ccccc1Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](C(=O)OC)C1 1286798493 IHBHYHMRBRZZKZ-LJQANCHMSA-N 453.543 2.403 30 10 JEEE CC(C)NS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 1288268031 AJMBPLAMDLUJBF-UZLBHIALSA-N 458.588 2.148 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1CN(C(=O)OC(C)(C)C)C1 1300287182 VPRUXQMWWAYPSM-INIZCTEOSA-N 463.546 2.246 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1ccc(NC(=O)N(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 1300489065 ZVKRGSSNUQOMGK-HXUWFJFHSA-N 493.593 2.109 30 10 JEEE C#CCN(c1nnc(CN2CCCC2=O)n1CCc1ccc(F)cc1Cl)[C@H]1CCS(=O)(=O)C1 1300501048 GRYZXXQXOZKCGH-SFHVURJKSA-N 493.992 2.062 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H](C)Oc2cccc(OC)c2)CC1 1300685030 DPQKRJBPCGLEJH-NLFFAJNJSA-N 469.586 2.162 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2Cc2ccc(C)n(C)c2=O)CC1 1300691450 ZGYFMHZRJPFHRW-UHFFFAOYSA-N 466.973 2.418 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2Cc2csc([C@H](C)OC)n2)CC1 1300725799 DPXBIDMQPOFACO-KRWDZBQOSA-N 479.610 2.442 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@H](Cc2ccccc2)OC)CC1 1300726392 OGDGKXIETZFUJU-VXKWHMMOSA-N 451.571 2.006 30 10 JEEE C#CCSCCn1c(Cc2ccccc2F)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1300765744 JSSLTQGBGVOOJP-CVDCTZTESA-N 484.645 2.363 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)Oc1ccc(C)cc1 1300806463 WAWIBOCYYAZGLM-XZDHIHRUSA-N 487.626 2.379 30 10 JEEE CC(C)NS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCCN(c2ccccc2C#N)CC1 1303471036 CKSKVGZMMIIMGC-UHFFFAOYSA-N 471.631 2.462 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC[S@](=O)C(C)(C)C 1358878486 XMDQSNXITLRVQT-JTBPQFFMSA-N 465.645 2.201 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC)n2CCNS(=O)(=O)c2ccc(C)s2)c1 1358902897 DIVKHDJJJNQNDC-UHFFFAOYSA-N 486.623 2.245 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCC[C@@H]1OC)[C@@H]1CCS(=O)(=O)C1 1358958917 YJCKQISHQPWRFY-HBMCJLEFSA-N 453.568 2.259 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCc1csc(C(C)(C)C)n1)[C@@H]1CCS(=O)(=O)C1 1358960918 OEGWRTVDANIKFU-GOSISDBHSA-N 487.655 2.302 30 10 JEEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1C[C@@H](c1ccc(C)o1)N1CCOCC1 1358982209 NXIUTFBVPJUJFT-QFIPXVFZSA-N 461.570 2.187 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCC2Cc3ccccc3C2)CC1 1359040300 OPOGSGSLPZJMHK-UHFFFAOYSA-N 462.598 2.187 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(C)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1359104116 YFTCUTILDSKVBP-VCOUNFBDSA-N 455.559 2.098 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1CCN(Cc2ccccc2)CC1 1359121666 BGINALMBHQDGQV-QFIPXVFZSA-N 488.658 2.288 30 10 JEEE C=C(Cl)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1359146216 RASZBRIBNVCBAV-QGZVFWFLSA-N 455.954 2.414 30 10 JEEE C=CCNC(=O)Cn1c(N2CCN(Cc3ccccc3C)CC2)nnc1[C@]1(OC(C)C)CCOC1 1359306169 YAOLNRCMBLDDBS-SANMLTNESA-N 482.629 2.252 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1359334301 ADMSICVUCGKIAC-UHFFFAOYSA-N 480.660 2.161 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1cccc(N(C)C)c1)[C@@H]1CCS(=O)(=O)C1 1507631550 FIWGGHPIMWCLJO-NHCUHLMSSA-N 457.600 2.261 30 10 JEEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(COC(C)(C)C)c1)[C@@H]1CCS(=O)(=O)C1 1507631785 GFEVMOFNPQWJQA-NHCUHLMSSA-N 499.637 2.219 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1CCC[C@H]1OC)[C@H]1CCS(=O)(=O)C1 1507634411 NFHFUJMZLGYHIC-SESVDKBCSA-N 460.575 2.450 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOc1ccc(F)c(Cl)c1 1507711096 NRBJWHGKLSYOBA-HNNXBMFYSA-N 470.954 2.138 30 10 JEEE C#CCN(CCOC)c1nnc(Cc2c(F)cccc2F)n1CC1(S(C)(=O)=O)CCC1 1507712434 YBYUPIXFOPPKNW-UHFFFAOYSA-N 452.527 2.200 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCCCOCC)CC1 1507734890 BOTXYQOYJVOALW-UHFFFAOYSA-N 453.543 2.456 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H](c2ccccc2)N(C)C)CC1 1507736470 PUMDCVOPZLKBEG-KCWPFWIISA-N 494.640 2.199 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2cccc(Cl)c2)C1 1507830630 NJYKBOALEBIOKG-OALUTQOASA-N 482.006 2.418 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1SCCc2ccccc21 1507983486 QNYTVPXGUAWZGB-OALUTQOASA-N 463.629 2.264 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)SC 1507997995 APKKUNBVTZMTDX-YLJYHZDGSA-N 490.655 2.427 30 10 JEEE C=CCn1c(C(=O)NC(CC)CC)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 1508042636 UYFXZOAJPOJPKD-UYAOXDASSA-N 459.639 2.199 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCS(=O)(=O)C2)C1 1508129889 FXAXUXZNGJEZIL-FPOVZHCZSA-N 471.583 2.335 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCS[C@H](C)[C@H]1C 1508136519 SNOCRMHCLALWOR-HZPDHXFCSA-N 484.669 2.280 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@](O)(c2ccc(C)cc2)C1 1508143122 JMKPHNAYELHVDI-DEOSSOPVSA-N 484.626 2.147 30 10 JEEE Cc1cc(C)n(Cc2nnc(N3CCN(c4ccc(C#N)cc4Cl)CC3)n2CC(=O)N(C)C)n1 1511710391 FWAUISWDXLIPFJ-UHFFFAOYSA-N 481.992 2.080 30 10 JEEE CCS(=O)(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCSC2)CC1 1516774991 FSGRAXRIMLHNIV-NRFANRHFSA-N 461.613 2.088 30 10 JEEE CSC1(Cn2c(C(C)C)nnc2N2CCN(c3c(C#N)c(C)nn3C)CC2)CCN(C)CC1 1519890714 BWXLEJCBUPIYHM-UHFFFAOYSA-N 471.679 2.469 30 10 JEEE C#CCN(c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C/C=C/CC)[C@@H]1CCS(=O)(=O)C1 1539215357 ALRYJQCUQOAXGO-RUJXFNLJSA-N 480.594 2.268 30 10 JEEE C#CCN(c1nnc(C2CC2)n1Cc1ccc(OCC(F)(F)F)nc1)[C@H]1CCS(=O)(=O)C1 1539216432 RQVTYKOBSWFLSB-INIZCTEOSA-N 469.489 2.167 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1C[C@](C)(O)C1CC1)[C@H]1CCS(=O)(=O)C1 1539229470 DTYGYLCYAIGOSM-RDPSFJRHSA-N 472.611 2.262 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Br)n2C[C@@H]2COCCO2)CC1 1539474720 XMNMKBIANXSUKY-QGZVFWFLSA-N 488.386 2.089 30 10 JEEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(CC#C)CC#CC 1539499382 JXYVXTNOXXXIRU-UHFFFAOYSA-N 455.609 2.025 30 10 JEEE C#CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1539505681 CQERQRAFAPPTFZ-AZUAARDMSA-N 499.637 2.450 30 10 JEEE C#CCSCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCC(OCC(N)=O)CC1 1539512972 JVCXXAOPZBWXCO-UHFFFAOYSA-N 452.584 2.274 30 10 JEEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1539730019 VTTDCKNVNPQSJZ-KNQAVFIVSA-N 489.642 2.098 30 10 JEEE C=C(Cl)Cn1c(-c2ccccc2F)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1539790318 HFBXMCTVZMQQLG-UHFFFAOYSA-N 466.926 2.477 30 10 JEEE C=CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1539974726 FXWMZTQKSDKKIE-OTWHNJEPSA-N 460.579 2.125 30 10 JEEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C)nc(C(C)C)n2)CC1 1540033998 SSLJZHVVTGOBFP-LJQANCHMSA-N 468.606 2.370 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1540875712 VRRFCTYGRNNYIS-RTBURBONSA-N 454.600 2.428 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(C)nc3ccccc23)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1540898787 UZOPPADMNGNTLD-KRWDZBQOSA-N 489.623 2.026 30 10 JEEE CC(=O)N(C)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC2(O)CCOCC2)CC1 1540928610 GAVIAVIDPHUIRC-UHFFFAOYSA-N 452.559 2.195 30 10 JEEE CC(C)CC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(OCC(N)=O)CC1 1541492234 GAZIPCSYMOSNDM-DEOSSOPVSA-N 454.575 2.475 30 10 JEEE Cc1cccc(-c2nnc(N3CCN(c4nccnc4C#N)C[C@H]3C)n2CCNC(=O)C(C)(C)C)n1 1542628277 CMBAEPYZVPUANV-GOSISDBHSA-N 488.600 2.188 30 10 JEEE C=CC[C@@H](C)NC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 1543657379 YNDRQFYUPOTRJO-YGRLFVJLSA-N 455.886 2.352 30 10 JEEE C=CCn1nc(C)c(-c2cc(C(=O)NCC[C@](O)(c3nccn3C)C(F)(F)F)n[nH]2)c1C 1545050487 QPBHGKWBCLRLDB-IBGZPJMESA-N 451.453 2.380 30 10 JEEE CNC(=O)[C@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCC[C@@H]2C)C1 1554404936 ALGPWLJEPGTNQS-MHECFPHRSA-N 451.575 2.175 30 10 JEEE CS(=O)(=O)c1cccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCOc2ncccc2F)c1 1555792608 FMVJIDJIVCCUGI-NRFANRHFSA-N 474.493 2.404 30 10 JEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](Nc3cc(OC)cc(OC)c3)C2)cc1 1566317500 AKRPQQBLLNWCEC-GOSISDBHSA-N 457.552 2.332 30 10 JEEE C#CCn1ccc(CN(CCOC)C(=O)COc2ccc(I)cc2)n1 1586565058 KLYPBKIOABDQBX-UHFFFAOYSA-N 453.280 2.175 30 10 JEEE C#CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1587701555 GNAQYVGNWKETGV-FQEVSTJZSA-N 472.615 2.469 30 10 JEEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2nccc(OC)n2)CC1 1587783412 QIVOYLWEGMPCEW-UHFFFAOYSA-N 480.598 2.198 30 10 JEEE C#CCN(c1nnc(-c2cccc3cccnc23)n1C[C@@H](C)COC)[C@@H]1CCS(=O)(=O)C1 1588046057 WEAWQIPLIXQWOW-IEBWSBKVSA-N 453.568 2.403 30 10 JEEE C#CCN(c1nnc(C2CCC2)n1Cc1ccc(N(CC)CC)nc1)[C@@H]1CCS(=O)(=O)C1 1588055831 ZZJFPDQNUQNKQD-HXUWFJFHSA-N 456.616 2.462 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1ccc(OC)nc1OC 1588128133 DCXSSAOGGGMDDN-UHFFFAOYSA-N 455.478 2.127 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1C[C@H](c1ccc(C)o1)N1CCOCC1 1588646396 JJBSQLFFUHPUPV-NHCUHLMSSA-N 457.575 2.233 30 10 JEEE C#CCN(CCOC)c1nnc(COc2ccc(Cl)cc2)n1C[C@@H]1CCS(=O)(=O)C1 1588697762 VVSPGCSSSDRNOL-INIZCTEOSA-N 452.964 2.031 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1CCc1ccc(S(N)(=O)=O)cc1 1589163717 MSLLTAFWVSAQNA-RPWUZVMVSA-N 487.626 2.201 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(Cl)c1 1589216833 YODMKWHGFVZXGR-GHTZIAJQSA-N 463.991 2.305 30 10 JEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)OCc2ccccc2)CC1 1593741300 MHMYSPQOLWZCPS-HXUWFJFHSA-N 468.558 2.281 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N(C)CC1CN(C(=O)OCc2ccccc2)C1 1595522598 GOBQPFNRUSAQRV-UHFFFAOYSA-N 477.569 2.291 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(Cc2cc(OC)cc(OC)c2)CC1 1595529611 AUIAHZWRZHNOMC-UHFFFAOYSA-N 491.596 2.290 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2OC)nnc1N1C[C@H](C)O[C@H](C)C1 1595831924 ZMPPQMFGNSDHOK-CALCHBBNSA-N 450.561 2.080 30 10 JEEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccc(C)c2)CC1 1595844584 DUKFABUFVHOJGT-GOSISDBHSA-N 464.661 2.443 30 10 JEEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1595866501 NCAVIIAHURCMOD-UHFFFAOYSA-N 491.618 2.248 30 10 JEEE C#CC1(O)CCN(C(=O)CCc2nc3c(c(O)nc(=O)n3CCCC)n2CCCCC)CC1 1630039618 ZLSIUUCNNCVLHZ-UHFFFAOYSA-N 457.575 2.208 30 10 JEEE CS(=O)(=O)Cc1ccc(S(=O)(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)cc1 1655163165 GTJPPAYXUMHEEA-UHFFFAOYSA-N 453.973 2.267 30 10 JEEE N#Cc1ccc(N2CCN(C(=O)NCCN3CCN(c4cccc(Cl)c4)CC3)CC2)cn1 1685839253 GNYYPSZIIDDYDY-UHFFFAOYSA-N 453.978 2.260 30 10 JEEE C#CCN(c1nnc(CCOc2ccccc2)n1C[C@H]1CCCCN1CC)[C@@H]1CCS(=O)(=O)C1 1689993810 MAKHPXCJCDWYEK-FGZHOGPDSA-N 485.654 2.401 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CC[C@@H](OC)C(F)(F)F)CC1 1690148571 LGRLMYYZHZDMGD-GOSISDBHSA-N 464.492 2.197 30 10 JEEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1690170581 NHZWBEJONKLZSZ-ROUUACIJSA-N 465.627 2.477 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCN(CCOC)C(=O)C1 1690253469 QYQYSLIPQZZLLR-MBSDFSHPSA-N 473.549 2.272 30 10 JEEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCO[C@H](c2ccccc2)C1 1690300748 JIORKGGDAZBIQA-ICSRJNTNSA-N 463.604 2.449 30 10 JEEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(-n2ccnc2)c(F)c1)C1CC1 1690537621 QSSICXXVUSCYBU-OAHLLOKOSA-N 459.551 2.416 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(S(C)(=O)=O)CC1 1690597165 LLLDXJXFVVCYPR-QGZVFWFLSA-N 481.619 2.342 30 10 JEEE C=CCn1c(N2CCN(C(=O)COc3ccc(F)cc3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1690653177 GQUWNEFSRYKTJZ-DEOSSOPVSA-N 473.549 2.371 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC(OCc2ccccc2F)CC1 1690668763 IIYHNHVTZVVDAV-UHFFFAOYSA-N 451.506 2.362 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(C)(C#N)CC1 1690724071 HNIBVJUAZFASOA-UHFFFAOYSA-N 484.630 2.183 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 1690724083 HVZOUPBSHMMRRA-KRWDZBQOSA-N 461.544 2.244 30 10 JEEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2cn3ccccc3n2)CC1 1690733958 RNZQFJDOOJYVLQ-UHFFFAOYSA-N 468.631 2.305 30 10 JEEE C=CCSCCn1c(-c2cccc(C)n2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1690742366 OBJAFDHCVHPNQQ-GOSISDBHSA-N 455.632 2.357 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@](C)(O)CCC)[C@@H]1CCS(=O)(=O)C1 1705559737 FGOKPECBKXRDCQ-HYBUGGRVSA-N 487.626 2.325 30 10 JEEE C#CCN(c1nnc(Cc2c[nH]c3ccccc23)n1CCOC(C)C)[C@@H]1CCS(=O)(=O)C1 1705570609 RTNASNRNLLMZIJ-LJQANCHMSA-N 455.584 2.402 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC[C@@H]1COCCO1 1705596127 TVCKUTAPXJBARN-HXUWFJFHSA-N 474.565 2.333 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1705698657 WXSOHLACOBWDTP-IEZWGBDMSA-N 493.406 2.358 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1cn[nH]c1 1705856694 BOZHHTMOSCPVIZ-LJQANCHMSA-N 456.572 2.347 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N1CCC(F)(F)C1 1705931013 BXDXGATWGJUAIN-UHFFFAOYSA-N 464.336 2.492 30 10 JEEE CC(C)Cc1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CCNC(=O)c1cc[nH]n1 1706414085 BRINACPSMSOBFY-UHFFFAOYSA-N 461.574 2.218 30 10 JEEE CC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCOCC2)C[C@@H](C)O1 1709372852 DCWCHGCNRMSMBA-CTNGQTDRSA-N 454.575 2.455 30 10 JEEE CO[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1)C(C)C 1711551308 BZSIGNCVCRTPRP-QUCCMNQESA-N 460.604 2.253 30 10 JEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1722326767 WHWGBMPOZBGDTI-SFHVURJKSA-N 459.572 2.477 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H](C)Oc1ccccc1C)[C@H]1CCS(=O)(=O)C1 1722359977 BTIQILMOMJXLLK-MOPGFXCFSA-N 466.567 2.138 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccc(OC(F)F)c(F)c1)[C@H]1CCS(=O)(=O)C1 1722362093 RZWQARJATHDFNM-INIZCTEOSA-N 494.499 2.094 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC1(CCOCC)CCCC1)[C@H]1CCS(=O)(=O)C1 1722363237 ZKSOBLQBZLZOQI-FQEVSTJZSA-N 474.631 2.292 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@@](C)(OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1722370807 QQBFOZCYRJLCBE-FDDCHVKYSA-N 476.574 2.438 30 10 JEEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H]1CN(Cc2ccccc2)CCO1 1722405550 MTWOWOMTWRRFPA-RCZVLFRGSA-N 453.587 2.291 30 10 JEEE C=C(Br)Cn1c(N2CCN(C[C@H]3CCOC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1722490012 VPOYRPGCEQZAEQ-WIYYLYMNSA-N 484.439 2.386 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@H](n2cncn2)C1 1722519870 SVCMYUZTFXMROJ-SFHVURJKSA-N 456.576 2.205 30 10 JEEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1722534818 WZQOTYIUNINMKK-INIZCTEOSA-N 452.481 2.361 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccco1 1722672894 BVRLLUYZXSZHNK-NRFANRHFSA-N 471.583 2.487 30 10 JEEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCCN(c2nccc(OCC)n2)CC1 1722736665 DWDWMTHCJPKZGT-UHFFFAOYSA-N 486.646 2.339 30 10 JEEE Cn1cc(CCCn2c(-c3cccc(C#N)c3)nnc2N2CCC(S(C)(=O)=O)CC2)cn1 1729575909 DABGYWKZFVSOGL-UHFFFAOYSA-N 453.572 2.196 30 10 JEEE COCC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)N(C)C2CC2)CC1 1730420992 GBAHOUUKEJCLCI-QGZVFWFLSA-N 451.575 2.031 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C)s2)c1 1740562457 NLPBGCDPWPSLKA-INIZCTEOSA-N 486.623 2.363 30 10 JEEE C#CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1740589122 PLTPCKZNENRXKG-KRWDZBQOSA-N 468.583 2.102 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCc1ccc(F)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1740625132 OFRIWCPJVAHNKR-LJQANCHMSA-N 488.564 2.287 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1CCc1ccc(OCC(F)(F)F)nc1 1740653513 OQUNGFNZOUCGGT-QGZVFWFLSA-N 460.460 2.271 30 10 JEEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCC(=O)NC(C)(C)C 1740657866 ZZHNBKRALGWTLR-UHFFFAOYSA-N 462.602 2.220 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1C[C@H](F)CN1Cc1cccs1 1740672151 XWHRXHAXGCALRM-SQNIBIBYSA-N 465.620 2.314 30 10 JEEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 1740737254 FQGNOKWJEQXKIO-UHFFFAOYSA-N 491.365 2.411 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1740774158 NASUKQHZXAWOHO-YADHBBJMSA-N 473.643 2.484 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 1740989535 PXYUFAOUJGRHLY-IBGZPJMESA-N 495.609 2.499 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N(C)CC(=O)Nc1cc(F)cc(F)c1 1740991527 YIYQRMIBTFXJHI-GOSISDBHSA-N 483.541 2.474 30 10 JEEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1741005303 HYLHRPMBIRDILH-IBGZPJMESA-N 459.620 2.038 30 10 JEEE C[C@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 1741134461 BGSMLKOXBKTDHZ-IRLDBZIGSA-N 465.602 2.287 30 10 JEEE CC(C)(C)NC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCSCC2)CC1 1741210131 CFSLLEQZCDAFDH-UHFFFAOYSA-N 482.658 2.496 30 10 JEEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1747729996 AKTDBBJBOASQGX-ZWKOTPCHSA-N 477.491 2.000 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@](C)(O)CCC)[C@@H]1CCS(=O)(=O)C1 1748804438 HSZXLPKZDQHSRY-DNVCBOLYSA-N 484.420 2.214 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC(C)(C)N1CCOCC1 1748825041 NZBLJVMEPOORJB-UHFFFAOYSA-N 468.989 2.045 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@]1(C)CN(C2CC2)C1=O 1748859136 QIQDUEITEYVTRV-ATLLOTDBSA-N 466.586 2.133 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2Cc2cc(OC)c(OC)c(OC)c2)CC1 1749015711 KIVRPCCVBQGQLX-UHFFFAOYSA-N 467.570 2.271 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CCN(C)[C@@H](C)CC)CC1 1749017266 ZJFJWDXPWBNHAG-KRWDZBQOSA-N 457.648 2.330 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@](C)(CC)C1 1749368922 UFUNORKHQSHUPW-DYESRHJHSA-N 455.625 2.219 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCN(CC)C1 1749538437 VZFDHGDPTDTIRT-YADHBBJMSA-N 488.658 2.145 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCCN(C(=O)c2ccccc2)CC1 1749669145 CDKYTTFKCJPNJK-HXUWFJFHSA-N 452.559 2.174 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1749739337 APMOUPFMMIKKRC-GOSISDBHSA-N 491.589 2.188 30 10 JEEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(Br)ccc1OC 1760173731 BBUSZJMOKMSFKT-ZDUSSCGKSA-N 453.362 2.069 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1ccccc1OCCOC)[C@@H]1CCS(=O)(=O)C1 1760186321 BQAOVFXPOBHPCH-IFMALSPDSA-N 488.610 2.220 30 10 JEEE C=C(Br)Cn1c(N(CCS(C)(=O)=O)C2CC2)nnc1[C@]1(OC(C)C)CCOC1 1760314980 XMYSKGJAFADRBR-SFHVURJKSA-N 477.425 2.241 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(=O)NCCCC)C1 1760322913 ZBLLQTXVTLYOTP-MHTWAQMVSA-N 493.674 2.294 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccc(F)c(OC)c2)CC1 1760556116 VIYCQZIHTJCVIQ-SFHVURJKSA-N 493.605 2.247 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1760556352 AOXCCIXACQMYNM-KRWDZBQOSA-N 473.521 2.412 30 10 JEEE CC(C)(C)NC(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1760770939 HEYLPUSYPMMCOO-LJQANCHMSA-N 466.590 2.418 30 10 JEEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C 1762610741 DUHTUKCLTAITNO-IRXDYDNUSA-N 469.594 2.466 30 10 JEEE CO[C@@H]1COCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1770666695 AEPQOHYBAIVJLT-IFMALSPDSA-N 496.612 2.475 30 10 JEEE COC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1)OC 1770761119 GYOQCRMAORQQHF-LEWJYISDSA-N 462.558 2.373 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCc2c(ccnc2O)C1 1772660126 KSMONXCXTRWJKU-UHFFFAOYSA-N 485.566 2.226 30 10 JEEE COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2C[C@H](C)O)cc1 1862574851 VIORCQBQQWNPEO-RNODOKPDSA-N 455.463 2.450 30 10 JEEE CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CCNC(C)=O)ccc1O 1862634353 WRIVXXKTSUCVIY-OAQYLSRUSA-N 468.462 2.234 30 10 JEEE COc1cc([C@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2CCCNC=O)cc(OC)c1OC 1862742176 JCFHUWFDIZGRPC-FQEVSTJZSA-N 499.476 2.335 30 10 JEEE CC(=O)Nc1ccc(C)c(NC(=O)[C@@H](CO)NC(=O)C2CCN([C@@H](C#N)c3cccs3)CC2)c1 1866866218 FYZPNDNNNVQSTA-RTWAWAEBSA-N 483.594 2.407 30 10 JEEE N#Cc1nnn(-c2ccc3cc[nH]c3c2)c1NC(=O)c1ccc(N2C[C@@H](C(=O)O)CC2=O)cc1 1870150688 HDYUOAHGMNJUPT-HNNXBMFYSA-N 455.434 2.310 30 10 JEEE C=CCn1cc(OCC(=O)N[C@H](C)c2ccccc2)c(=O)cc1CN(CCOC)CCOC 1870414899 PHUMXJRWDCMSSK-HXUWFJFHSA-N 457.571 2.385 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)Nc2cccc(C)c2)cn1CCNC(C)=O 1870731832 DWKTWMZSWFFVOV-UHFFFAOYSA-N 452.555 2.484 30 10 JEEE C=CCn1cc(OCC(=O)Nc2nnc(C)s2)c(=O)cc1CNc1ccc2c(c1)C(=O)N(C)C2=O 1871021493 SYERFVKTHMPHLO-UHFFFAOYSA-N 494.533 2.050 30 10 JEEE C=CCn1c(C(=O)NCCOCCO)cc2c(N3CCN(c4cccc(Cl)c4)CC3)ncnc21 1873594767 BFRFUQVECUKIGB-UHFFFAOYSA-N 484.988 2.336 30 10 JEEE CCN1CCN(CC#CCOC2CCN(S(=O)(=O)c3cc(Cl)ccc3C)CC2)CC1 1889672061 WOZNPUGOVVPQET-UHFFFAOYSA-N 454.036 2.459 30 10 JEEE CCN1CCN(CC#CCOC2CCN(C(=O)[C@H](NC(=O)NC(C)(C)C)C(C)(C)C)CC2)CC1 1889703280 CGRSHOIGLLGXSB-QFIPXVFZSA-N 477.694 2.147 30 10 JEEE N#CC1CCN(CCNC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc(Br)cc2)CC1 1890577220 JYKWAHHLDPSAEQ-LJQANCHMSA-N 483.432 2.344 30 10 JEEE N#CC1CC(O)(C[S@@](=O)C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)C1 1990676834 GPLMKDFBFUWUKH-KLFPIHQNSA-N 468.531 2.392 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2CCC(CO)(NC(=O)OC(C)(C)C)CC2)C1 2255183849 DOFOXDQARRLVKW-UHFFFAOYSA-N 451.564 2.171 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCOC[C@H]1NC(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2255538509 LRSQMCNAXJISQT-JKSUJKDBSA-N 452.382 2.459 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1COC[C@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2255611578 VHRDHERTYLTADP-UKRRQHHQSA-N 452.382 2.317 30 10 JEEE C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1csc(B2OC(C)(C)C(C)(C)O2)c1 2256618519 QTAMBWHRRGVEKJ-CZUORRHYSA-N 454.398 2.280 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(CNC(=O)[C@H](CCO)NC(=O)OC(C)(C)C)s1 2256672296 FNXOYDRQPCCAFT-HNNXBMFYSA-N 454.398 2.248 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@](O)(CCNC(=O)c2occc2B2OC(C)(C)C(C)(C)O2)C1 2267197468 YUVUDOOWHDPYGF-JOCHJYFZSA-N 450.341 2.071 30 10 JEEE CC(C)(C)OC(=O)N1CCC(NC(=O)C2CC(B3OC(C)(C)C(C)(C)O3)C2)(C(N)=O)CC1 2267585746 ZGVXSCGKNCMQKV-UHFFFAOYSA-N 451.373 2.230 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)CC[C@H]1CO 2267612714 NJFACCJYCWEGLV-GJZGRUSLSA-N 466.409 2.395 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H]1C[C@H]1CNC(=O)OC(C)(C)C 2267703358 VECXNEXTJPBVCM-RDJZCZTQSA-N 466.409 2.486 30 10 JEEE C[C@@H](N(Cc1ccccc1)S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)C(C)(C)O 2267709377 AOUKLJOPQCWMLF-MRXNPFEDSA-N 463.409 2.070 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)c2ccc(F)cc2B2OC(C)(C)C(C)(C)O2)CCO1 2281759414 LQXJMTFQMCWCOU-INIZCTEOSA-N 464.343 2.491 30 10 JEEE Cc1c(C(=O)N[C@H]2[C@@H]3[C@@H]2CCCN3C(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281803382 WJBXAMPMHISVTD-OIISXLGYSA-N 460.384 2.155 30 10 JEEE C[C@@H](CNC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 2282014853 JBCRZOSCUGQEJY-RCDICMHDSA-N 481.424 2.180 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1CC(F)(F)CN1C(=O)OC(C)(C)C 2282036470 JSCRUEHTSYOZGU-CYBMUJFWSA-N 470.326 2.094 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2CCN(C(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)CC[C@H]2C1 2282062967 GCKSVJWGMZXQKZ-IYBDPMFKSA-N 460.384 2.428 30 10 JEEE Cn1cc(C(=O)N2CCC[C@H]3[C@@H]2CCN3C(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2282062977 GGVWTBAUWVAIMS-IRXDYDNUSA-N 460.384 2.333 30 10 JEEE Cc1ccnc(C(=O)N2CCC(CNC(=O)C(F)(F)F)CC2)c1B1OC(C)(C)C(C)(C)O1 2282566774 DENTXXGANIJECY-UHFFFAOYSA-N 455.286 2.220 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C 2282581702 LHQIEUNBVLTMRH-JKSUJKDBSA-N 462.400 2.435 30 10 JEEE Cc1c(C(=O)NC[C@H](NC(=O)OC(C)(C)C)C(F)(F)F)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282591875 WCMSPZJLTGVXLN-LBPRGKRZSA-N 476.305 2.213 30 10 JEEE Cn1cc(C(=O)N2C[C@H]3CN(Cc4ccccc4)C[C@]3(C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2282598472 LPEBWBNDEBULBC-KBMIEXCESA-N 450.392 2.313 30 10 JEEE CC[C@]1(NC(=O)OC(C)(C)C)CCCN(C(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)C1 2282617119 DRAFIIUKBCJTNG-QFIPXVFZSA-N 463.388 2.024 30 10 JEEE COC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(OC)c(B2OC(C)(C)C(C)(C)O2)c1 2282881483 YKFFALSLHQDXJW-UHFFFAOYSA-N 475.372 2.358 30 10 JEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)CN1C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2283064536 ZQQJWCZGFPXUJY-HOTGVXAUSA-N 460.384 2.493 30 10 JEEE Cc1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1C[C@H]2C[C@H]1CN2C(=O)C(F)(F)F 2285945389 GVYRYPFSAAAQDG-QWHCGFSZSA-N 456.245 2.421 30 10 JEEE COC[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)N(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2289506193 JDRIFHGXWQFGTH-WBVHZDCISA-N 463.384 2.316 30 10 JEEE CO[C@H](CNC(=O)OC(C)(C)C)C(=O)NCCc1c(F)cccc1B1OC(C)(C)C(C)(C)O1 2289646361 OZUMHOQGFYEUTQ-GOSISDBHSA-N 466.359 2.323 30 10 JEEE Cc1nc(I)c(I)n1C[C@](N)(C#N)[C@H]1CC1(F)F 2327121548 FGQKKYMRDSRCTM-HZGVNTEJSA-N 478.022 2.277 30 10 JEEE O=C(N[C@H]1CCNC[C@@H]1C(=O)C=Cc1ccc([N+](=O)[O-])s1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 2328198393 MQJSXRGXBMOWLU-HOTGVXAUSA-N 475.439 2.463 30 10 JEEE COCc1nnc(SCC(=O)NCc2ccco2)n1N=Cc1cc(OC)c(O)c(OC)c1 2331571153 VNTLYCRAVPGXHM-UHFFFAOYSA-N 461.500 2.031 30 10 JEEE CC1(C)OB(c2cc(F)ccc2S(=O)(=O)N[C@@H](CCO)COCc2ccccc2)OC1(C)C 2369631784 GGIJGTKEDZMCCM-IBGZPJMESA-N 479.379 2.371 30 10 JEEE COc1ccc(/C(C)=N/Nc2nnc(SCC(=O)Nc3ccccc3[N+](=O)[O-])n2N)cc1 21328141 UBWFNSJHPLAFBN-WSDLNYQXSA-N 456.488 2.476 30 10 JEEE Cc1ccc(S(=O)(=O)/N=C(\O)N(Cc2ccc(N(C)C)cc2)[C@H]2CCS(=O)(=O)C2)cc1 39915172 ALVCZPBPAICORI-IBGZPJMESA-N 465.597 2.353 30 10 JEEE COc1cccc(C(=O)/C=C2\N=c3ccc(C(=O)N4CCN(c5ccccc5F)CC4)cc3=NC2=O)c1 211042747 FNBGIIMWCKPYBV-ULJHMMPZSA-N 498.514 2.343 30 10 JEEE C=CCNC(=O)CN1CCN(C(=O)c2ccccc2SCC(=O)N2CCc3ccccc32)CC1 512718447 NNXMILGSFKQAQE-UHFFFAOYSA-N 478.618 2.428 30 10 JEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(F)c(F)c(F)c2)c(=O)n1Cc1ccccc1 524121839 JJUQQMOTTUTXPO-UHFFFAOYSA-N 455.461 2.181 30 10 JEEE C=CCNC(=O)CN1CCN(C(=O)c2cccc(S(=O)(=O)Nc3ccccc3Cl)c2)CC1 680516412 CLSBJORQGXCGDZ-UHFFFAOYSA-N 476.986 2.201 30 10 JEEE COc1cc2c(cc1OC)CN(C(=O)CSc1nnc(NN=Cc3ccc(C)cc3)n1N)CC2 1084628614 LDDRZCCKTWRQJS-UHFFFAOYSA-N 481.582 2.441 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)Nc3cc(F)ccc3C(=O)N[C@@H](C)C(=O)OC)cc2C1=O 1127312747 YONVJHCTJRKELL-LBPRGKRZSA-N 453.426 2.151 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1cccc(OCC(N)=O)c1 1286274305 LHXNPEJSQGFKHV-CYBMUJFWSA-N 457.332 2.406 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1286281773 IXBUCSZWCLMDRK-WZONZLPQSA-N 460.600 2.378 30 10 JEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCCn2ccnc21 1286377088 RQZHRUAACGJHRW-ZWKOTPCHSA-N 455.563 2.430 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1286390695 BDQZXFNENQJBQA-FHWLQOOXSA-N 495.646 2.402 30 10 JEEE C#CCN(CC#CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC(=O)N(C)CC 1286431921 SWUPVASTFLPMIV-UHFFFAOYSA-N 456.591 2.334 30 10 JEEE C#CCN1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCSC(F)(F)F)CC1 1286478825 GWWDERBYSTXSMJ-UHFFFAOYSA-N 477.516 2.200 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2CC2CCN(C(C)=O)CC2)CC1 1286484862 YPDCZDGUMFGYJK-UHFFFAOYSA-N 454.550 2.010 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCN2CCC[C@@H](C)C2)CC1 1286486692 AKFQLSLSGWZEOA-QFQXNSOFSA-N 486.661 2.016 30 10 JEEE C#CCSCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N(C)[C@@H]1CCOC1 1286508182 JVVSLMWJACOOGF-JOCHJYFZSA-N 454.644 2.234 30 10 JEEE C=C(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1286592194 PPFNFTWROYOWHU-INIZCTEOSA-N 456.572 2.264 30 10 JEEE C=C1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC2(O)CCOCC2)CC1 1286646653 UEWWFFSMBAJNND-SFHVURJKSA-N 463.579 2.284 30 10 JEEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 1286829487 DLMLXHGBVVIVTE-HRCADAONSA-N 450.609 2.498 30 10 JEEE CCN(c1nnc(-c2cccc(C#N)c2)n1CC1([S@](C)=O)CCC1)[C@H]1CCS(=O)(=O)C1 1295173572 DQXBXKGMXSZNKU-PBYQXAPXSA-N 461.613 2.131 30 10 JEEE C#CCCCCn1c(N(C)[C@@H]2CCS(=O)(=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1300373422 YOXAGIBQLGTDRJ-FGTMMUONSA-N 465.620 2.476 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1Cc1ccc(C)nc1)[C@H]1CCS(=O)(=O)C1 1300489316 LZRQHLHQHGDJRS-IBGZPJMESA-N 481.578 2.341 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCNC(=O)c1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1300489969 WSRUYBVPEOFAHK-QGZVFWFLSA-N 485.541 2.042 30 10 JEEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCc1nnc(C)s1 1300545209 LEBGUGSSNIGWNU-UHFFFAOYSA-N 474.638 2.118 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1C[C@H]1[C@H](C)CCN1C(=O)OC(C)(C)C 1300649153 LJIZPWJXUYGOPO-MSOLQXFVSA-N 462.595 2.148 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2cnn(CC(C)C)c2C)CC1 1300725855 KUIGSIJUNNTLEL-OAQYLSRUSA-N 467.618 2.347 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 1300761384 CENUPQJVEPNZNR-GOSISDBHSA-N 497.687 2.288 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1300848013 ACOZPYUKKRTNHE-QZTJIDSGSA-N 481.439 2.214 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(CC(=O)NC)CC1 1300895025 LCYWYAWNCOXFPW-WAGURGNTSA-N 461.607 2.336 30 10 JEEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1300981294 XKFGUQRTKTXVTP-UHFFFAOYSA-N 482.976 2.407 30 10 JEEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@H](NC(C)=O)C1 1301206952 MDDOURDKRJXCFC-LJQANCHMSA-N 460.604 2.267 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1301588856 KTDUDQWDSNDCJT-HZPDHXFCSA-N 465.542 2.193 30 10 JEEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2nc(C)c(C)s2)CC1 1301595626 YJLSKPQEDDTYEU-HNNXBMFYSA-N 485.705 2.207 30 10 JEEE COCCN1C[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(C(C)(C)C)CC2)CC1=O 1301860174 IBSQVYCQNLXOLN-HXUWFJFHSA-N 465.602 2.232 30 10 JEEE COCCN1C[C@@H](Cn2c(Cc3ccncc3)nnc2N(C)Cc2cccc(C#N)c2)CC1=O 1301862041 CWUQXAAIWHATBY-QFIPXVFZSA-N 459.554 2.267 30 10 JEEE C[C@H](C#N)CN(C)c1nnc(COc2ccc(Cl)cc2)n1CC1(O)CCS(=O)(=O)CC1 1301970524 GFVPLTRDNQQOHX-OAHLLOKOSA-N 467.979 2.046 30 10 JEEE CNS(=O)(=O)CCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC(CC#N)CC1 1315062762 HQEWWMHQDMKHEM-UHFFFAOYSA-N 453.572 2.481 30 10 JEEE CC[C@@H](C#N)Oc1cc(CNC(=O)CN(C)C2=NS(=O)(=O)c3ccccc32)ccc1OC 1353363696 AYOZNDUNOCBPCQ-INIZCTEOSA-N 456.524 2.073 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1cccnc1 1358979171 FGTPHESEHLINFC-HXUWFJFHSA-N 450.543 2.297 30 10 JEEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 1358982312 RHGZEDCJKAMJSA-QHCPKHFHSA-N 471.565 2.378 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](C)Cc2ccc(OC)c(OC)c2)CC1 1359027940 AXDPKLXOEUMDSP-LJQANCHMSA-N 468.602 2.068 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H](C)N(C)C)CC1 1359034968 HTVUEYAMWFEBSO-VQTJNVASSA-N 459.639 2.098 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2[C@H]2C[C@H](c3ccccc3C)C2)CC1 1359041293 SIDIYIOBWOFWNU-JBACZVJFSA-N 498.653 2.281 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCOC1CCCCC1 1359070371 LOZKSJUFOQSMQO-NFBKMPQASA-N 479.647 2.343 30 10 JEEE C=C1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@]2(O)CCO[C@@H]2C)CC1 1359165840 YHJYBYLBBFOPSH-IEGUWTFLSA-N 463.579 2.283 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@]2(O)CCOC2)C1 1359320049 KWXSXWWXUMPPDJ-YADARESESA-N 477.606 2.325 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Br)c2)nnc1N1CCC(NC(C)=O)CC1 1359328318 ZSNNMXRYTWBYFH-UHFFFAOYSA-N 496.431 2.413 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCCN(C(=O)c2ccccc2F)CC1 1359331071 MUAHBWDQKSTCFZ-UHFFFAOYSA-N 486.573 2.366 30 10 JEEE C=CCSCCn1c(Cc2ccccc2F)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1359343834 CPNAAZUPYNXILT-GOSISDBHSA-N 458.563 2.400 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1Cc1cc2c(cc1OC(F)F)OCO2 1360671155 CRYNCFVQKAGFKN-GFCCVEGCSA-N 498.512 2.007 30 10 JEEE CN(C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC=CO2)CC1)S(C)(=O)=O 1503436252 DCXZBSGPRSVBCO-OAQYLSRUSA-N 486.598 2.282 30 10 JEEE CO[C@]1(Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CC[C@](F)(C#N)C2)CCOC1 1504046395 DWWPBQFVJFRLDO-SFTDATJTSA-N 462.913 2.109 30 10 JEEE COC[C@@H](C)Cn1c(CN2CCCC2=O)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1504570360 DNMOUPLEUBLPNK-FQEVSTJZSA-N 465.602 2.267 30 10 JEEE COCCn1cc(Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CCO[C@@H](C#N)C2)cn1 1504896456 DEBOXZHHLNFMEL-JXFKEZNVSA-N 455.494 2.177 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CCOC)[C@@H]1CCS(=O)(=O)C1 1507628537 PCDKHVSOKUTDCM-GOSISDBHSA-N 462.572 2.014 30 10 JEEE C#CCN(c1nnc(-c2ccccc2F)n1CCc1nccnc1C)[C@@H]1CCS(=O)(=O)C1 1507629949 RKCDEMVDFABBBX-QGZVFWFLSA-N 454.531 2.052 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](OC)C1CC1 1507672005 SPZVEGPFCQJRQY-UXHICEINSA-N 457.575 2.474 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H](C)N2CCN(CC)CC2)CC1 1507733022 WQQQVLSJRXQYOE-OAQYLSRUSA-N 486.064 2.292 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCS(C)(=O)=O)CC1 1507733893 CYDHTMNIFJOURD-UHFFFAOYSA-N 471.627 2.253 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2CCSC(F)(F)F)CC1 1507733966 PGEDWVVBHSAGEH-UHFFFAOYSA-N 474.553 2.415 30 10 JEEE C=C(C)COCCn1c(N2CCC[C@@H](C(N)=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1507849355 WKXNTWPZMPILRR-KURKYZTESA-N 462.595 2.343 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1508089162 AWFKMZZACNNZRL-HXUWFJFHSA-N 495.628 2.497 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(C2CCOCC2)CC1 1508090125 CWZAIJOHSJXQAA-UHFFFAOYSA-N 468.602 2.077 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCOCC(F)F)C1 1508117004 KIRKSUSMLDWLPP-HNNXBMFYSA-N 460.485 2.255 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(c2cccc(OCC)n2)CC1 1508141195 LQKHTQWBRNWHPK-LJQANCHMSA-N 490.630 2.241 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCS[C@H](C)C1 1508141805 ZSMMHLVWDMRUPQ-CQSZACIVSA-N 460.585 2.136 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@H](NC(C)=O)C1 1508144849 YJOWHAUJXULFJH-FQEVSTJZSA-N 475.615 2.180 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1508146415 XIFQHTZYXIIGAT-UHFFFAOYSA-N 495.596 2.443 30 10 JEEE CC(C)[C@@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@H](C#N)C1)N1CCOCC1 1508886101 GDLBIIPREZZKKY-XRXFAXGQSA-N 460.623 2.282 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(C(C)(C)C)n1CC1(C(N)=O)CCOCC1 1519130493 IAKREKMVFWFZDD-UHFFFAOYSA-N 454.575 2.382 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1Cc1cc(Cl)c2c(c1)OCCO2 1539284584 ROZIJHWPSUIFDO-UHFFFAOYSA-N 453.930 2.450 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2OC)n1Cc1cn(C2COC2)nn1 1539306392 HPDHYLIXOPSJKJ-UHFFFAOYSA-N 451.918 2.281 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@@H](C(CC)CC)N2CCOCC2)CC1 1539475637 KQRYBMPIFPSIAS-DEOSSOPVSA-N 493.656 2.443 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2Cc2c(C)nn(C)c2C)CC1 1539483410 YSTLSSNUSVPTAV-UHFFFAOYSA-N 475.597 2.242 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCOC(C)(C)C1)C(C)C 1540152366 SPZJCDCGMZPTLG-PMACEKPBSA-N 465.664 2.494 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(Cc2cscn2)CC1 1540867565 ZSDWZSOWFKMCHZ-UHFFFAOYSA-N 453.572 2.035 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCCn2cc(Br)cn2)C1 1540881677 PKYYUCRVMYZVQY-QGZVFWFLSA-N 478.395 2.345 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 1540902675 OFFVDPZRZSTRCZ-DNVCBOLYSA-N 480.553 2.303 30 10 JEEE CC(C)(C)C(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC2(O)CCOCC2)CC1 1541131424 FVGSFCWVKIQOKU-UHFFFAOYSA-N 466.586 2.443 30 10 JEEE CCc1nc(CN(C)c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)cs1 1546381275 DPQHEZSRAQRAAH-UHFFFAOYSA-N 481.582 2.243 30 10 JEEE CCN(CC)C(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(OC)CCOC2)CC1 1547417437 CHSBTCINSROFEB-DEOSSOPVSA-N 467.574 2.206 30 10 JEEE CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@](C)(O)c2ccco2)CC1 1547474750 CTLQIGSCXILOAJ-SANMLTNESA-N 491.596 2.308 30 10 JEEE N#Cc1ccc(N2CCC3(CC2)C[C@@H](C(N)=O)N(C(=O)c2ncccn2)C3)cc1C(F)(F)F 1548379575 FDAZUXGLKZMJRY-KRWDZBQOSA-N 458.444 2.354 30 10 JEEE COc1cccc(CN(CCN(C)C)C(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)c1 1567586644 GTSKXAUSXNULLO-KRWDZBQOSA-N 458.584 2.103 30 10 JEEE C#CCCCCn1c(Cc2ccccc2F)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1587773251 GGXAYEMSOTVSSV-GOSISDBHSA-N 450.522 2.343 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](c2ccccc2C)C1 1587860811 BTOPNPBLOVDQHM-TZIWHRDSSA-N 457.600 2.327 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@@H](SC)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1588035845 YGWFTAUAZGPDQA-SVMVAKDDSA-N 484.688 2.335 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1CCCCCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1588045761 QFIGVURKOIJTMN-HXUWFJFHSA-N 456.616 2.233 30 10 JEEE C#CCN(CC)c1nnc(-c2ccc(F)cc2Br)n1CCN1CCN(C(C)=O)CC1 1588289123 YHQDNUZKSHOPAN-UHFFFAOYSA-N 477.382 2.470 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@](C)(O)c2ccco2)CC1 1588762817 MOAYMFYBZJJLNX-XMMPIXPASA-N 451.527 2.218 30 10 JEEE C#CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1588994430 VWLIAPVVWHNBLO-CQSZACIVSA-N 472.434 2.036 30 10 JEEE C=C(Br)Cn1c(-c2cnccn2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1589381457 CTSWXOBAJQJALC-LLVKDONJSA-N 460.258 2.149 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCCS(=O)(=O)C1 1589641916 RCRQDTIJKJRCOT-QGZVFWFLSA-N 470.599 2.419 30 10 JEEE C=C(C)COCCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@H](S(C)(=O)=O)C1 1593718437 YHODFXMAUYHRKY-KRWDZBQOSA-N 450.561 2.178 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1C[C@H](F)CN1Cc1cccs1 1594961637 DJTNIHMXHIZOMW-IKGGRYGDSA-N 453.609 2.477 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@H](C(C)(C)C)C1 1595465938 BMFBHWUSWNOPCH-SFHVURJKSA-N 474.993 2.415 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CNC(C)=O)CC1 1595658836 LFQOSLBAAGIHDJ-FQEVSTJZSA-N 452.559 2.195 30 10 JEEE CC(=O)NC[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)C(C)(C)C)C1 1596539754 BQDLRFXCZDSAFO-LJQANCHMSA-N 451.575 2.332 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCN1CCC(O)CC1 1649540073 UDYIBKNEIUUPBI-UHFFFAOYSA-N 475.663 2.487 30 10 JEEE C#CCN(C(=O)NC[C@H](C(=O)OCc1ccccc1)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1680235640 ZDCLCPQRVOSQAJ-YADHBBJMSA-N 454.548 2.346 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1cccc(C(=O)NCC)c1)[C@@H]1CCS(=O)(=O)C1 1689990518 PLINZZZXQNXTLA-HXUWFJFHSA-N 471.627 2.291 30 10 JEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC([C@@H](O)c2ccc(F)cc2)CC1 1690155465 KFNRNRHRZGTKOT-UZLBHIALSA-N 495.646 2.344 30 10 JEEE C=CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)OC[C@H]2C1 1690746870 LTFWFYBLAUBFDB-IAGOWNOFSA-N 494.618 2.147 30 10 JEEE CC(C)(C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ncccn2)CC1 1691204257 FVICGLWZRSEXCW-UHFFFAOYSA-N 459.558 2.238 30 10 JEEE C[C@@H]1SCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCS(=O)(=O)C2)[C@@H]1C 1693880971 AFUYUMNYSPXENM-RYRKJORJSA-N 461.613 2.494 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@](C)(O)CCOC 1705490062 BLQCNKHNVCBANB-OSPHWJPCSA-N 452.559 2.310 30 10 JEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 1705532709 QIDUHGFFMCOSGU-AZUAARDMSA-N 461.632 2.069 30 10 JEEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CCc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1705561450 QJUYYDFSLXTPBF-XUZZJYLKSA-N 490.601 2.327 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@@H](C)OC)[C@H]1CCS(=O)(=O)C1 1705563446 XZMJHMIKMGTHBS-ZBFHGGJFSA-N 497.415 2.378 30 10 JEEE C#CCN(c1nnc(C2CCCC2)n1Cc1ccc(C[S@](C)=O)cc1)[C@H]1CCS(=O)(=O)C1 1705567395 VWMHFGFZNCIBNW-BGOLNKOXSA-N 474.652 2.489 30 10 JEEE C#CCN(c1nnc(CC)n1C[C@H](c1c(F)cccc1F)N(C)C)[C@@H]1CCS(=O)(=O)C1 1705570586 OWFHCVUYTVAAFY-CRAIPNDOSA-N 451.543 2.048 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CN2C[C@H](C)O[C@H](C)C2)CC1 1705737205 LZNWAKFEJXWWNM-RZUBCFFCSA-N 495.690 2.099 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c(N2CCN(C(=O)C(=O)NC3CC3)CC2)nnc1C(C)(C)C)C(C)C 1705869203 OXUOYFYJCOFVKQ-OAQYLSRUSA-N 485.677 2.201 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1705899840 ILBHCJZPMFBCLM-UHFFFAOYSA-N 462.945 2.494 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)Cc1cnn(C)c1C 1705900944 VEIXCNBMUOZNQH-UHFFFAOYSA-N 489.584 2.216 30 10 JEEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CC[C@@H](Oc2ccccc2Cl)C1 1705907853 ZSRRLENIBNKHIX-MRXNPFEDSA-N 458.950 2.014 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@@H](CC)C1 1705933333 CKZIGPHBWHXSRG-KRWDZBQOSA-N 450.561 2.178 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N(C)Cc1ccc(OC)c(O)c1 1705936694 WPOGVHMOCNJAQN-IBGZPJMESA-N 450.561 2.471 30 10 JEEE C=CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@H](C)C1 1705942658 ZHRDFZLRNCAPLP-INIZCTEOSA-N 451.618 2.340 30 10 JEEE CC(C)CCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCS(=O)(=O)C1 1706462147 AOVYDGVKCFATCG-GOSISDBHSA-N 450.609 2.105 30 10 JEEE CC(C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1706633369 CMNRSPMGLJCZHM-OAQYLSRUSA-N 463.586 2.474 30 10 JEEE C[C@H](CC#N)N(C)c1nnc(-c2ccc3ccccc3n2)n1CC1(O)CCS(=O)(=O)CC1 1706743242 GIYGNZWVLHFJCG-MRXNPFEDSA-N 454.556 2.171 30 10 JEEE Cc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)C[C@@H](C)C#N)c(O[C@H]2CCOC2)c1 1707492304 GUMZMUYQJFSCLT-LNLFQRSKSA-N 476.603 2.009 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCCN1CCC(O)CC1 1722277845 NXDKMJKNAMBCPQ-KRWDZBQOSA-N 457.575 2.276 30 10 JEEE C#CCN(c1nnc(C(C)C)n1CC1CCN(c2ccncc2)CC1)[C@H]1CCS(=O)(=O)C1 1722358472 HXVQKMVHKYRDMX-NRFANRHFSA-N 456.616 2.340 30 10 JEEE C#CCN(c1nnc(-c2ccccc2)n1C[C@@]1(N(C)C)CCSC1)[C@H]1CCS(=O)(=O)C1 1722363782 VMDKMKVEZHGTKQ-UGKGYDQZSA-N 459.641 2.009 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1C[C@@H]1CCC[C@@]2(CCOC2)O1)[C@@H]1CCS(=O)(=O)C1 1722367340 VYCXUYPSXSCAAI-IWQHBPENSA-N 450.605 2.147 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CCCn1cccn1)[C@H]1CCS(=O)(=O)C1 1722369649 DCEUQTJNLGACMN-FQEVSTJZSA-N 468.583 2.079 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@]1(O)CCC[C@@H]1C 1722417782 SRSDPQNHTXUJTN-HOIFWPIMSA-N 463.579 2.218 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(CC(C)(C)C)n2Cc2ccc(C)n(C)c2=O)n1 1722428796 ASUMOJVVTGNVSO-UHFFFAOYSA-N 465.602 2.405 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@]2(C)CN(C)C2=O)CC1 1722433909 GNLLUTIRNXRAKK-QFIPXVFZSA-N 471.403 2.250 30 10 JEEE C#CCSCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC(CO)CC1 1722461481 GKBJFYQUJBWOPQ-UHFFFAOYSA-N 468.671 2.218 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(Cn2ccnn2)CC1 1722519943 YDFKIKMDENPBLF-UHFFFAOYSA-N 470.603 2.280 30 10 JEEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 1722542985 JXETZPBJBKBXEZ-CABCVRRESA-N 461.032 2.018 30 10 JEEE C=C(Cl)Cn1c(-c2cc(Br)cn2C)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1722546455 LZZLEPRQLJVOFW-UHFFFAOYSA-N 498.813 2.373 30 10 JEEE C=CCCCn1c(-c2cccc(OC)c2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1722606918 KPEMJCMIWONYMX-UHFFFAOYSA-N 485.614 2.473 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 1722698545 HLFDOUCYYAFEHS-MRXNPFEDSA-N 490.967 2.229 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(N(C)C)CCCCC2)C1 1722718747 MNPAUCDHSTWBFU-MOPGFXCFSA-N 451.637 2.226 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(OC)cc2)nnc1N1CC[C@]2(CCCOC2)C1 1722732045 TYKBSKFMGJVWJT-HSZRJFAPSA-N 476.599 2.473 30 10 JEEE CSC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC(=O)N(C)C[C@@H]2C)CCOCC1 1731067441 FIIVSQIXSJKCMW-KRWDZBQOSA-N 470.599 2.308 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccc(N2CCOCC2)nc1 1740538995 MEMAEGKDSWGLLS-GOSISDBHSA-N 480.594 2.086 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](OC)[C@@H](C)CC)c1 1740562880 NRZMPQIQLKKAIU-VDGAXYAQSA-N 452.559 2.347 30 10 JEEE C#CCN(c1nnc(COCC)n1CC1CCN(Cc2cccs2)CC1)[C@H]1CCS(=O)(=O)C1 1740629085 ZZPQYHZSEUZKSR-FQEVSTJZSA-N 491.683 2.415 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN1C(=O)OC(C)(C)C 1740671360 FRZJWCQRRWUEJP-IAGOWNOFSA-N 451.593 2.039 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2CCN2c3ccccc3C[C@H]2C)CC1 1740691078 UCOQVTQUDNLKRG-NHCUHLMSSA-N 452.603 2.209 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCOC2CCCC2)CC1 1740701086 UEPXNZWRUUMSNH-UHFFFAOYSA-N 479.585 2.241 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2CCS(=O)(=O)C(C)(C)C)CC1 1740706970 KCCYWJSUZVWZDB-UHFFFAOYSA-N 489.617 2.187 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC(OCC(N)=O)CC1 1740755710 LFKKZJIEKMJTJW-FDDCHVKYSA-N 485.585 2.414 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(OCC(N)=O)CC1 1740755893 MEQSHCHPOGXEEY-UGKGYDQZSA-N 450.543 2.269 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1740767702 QERBZQWVALGXSS-PGRDOPGGSA-N 493.605 2.449 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1nc2cc(OC)ccc2n1C 1740767742 ZCASAGHYHAKZQA-HNNXBMFYSA-N 461.592 2.234 30 10 JEEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1740817934 YUXRJANIYRJZNX-PVAVHDDUSA-N 451.959 2.329 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(S(=O)(=O)CC)CC1 1740851086 QCPVUVSVZFMQBW-INIZCTEOSA-N 458.650 2.186 30 10 JEEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCc2cc(OC)c(OC)c(OC)c2CC1 1740958334 NJVXGYFBMVUSQE-UHFFFAOYSA-N 455.559 2.479 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2OCC)nnc1N1CCN2CCCC[C@@H]2C1 1740964331 NOXPWSLBNZLAED-LJQANCHMSA-N 454.575 2.233 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](c2ccc(F)cc2)N(C)C)C1 1740980052 GZSCMGBOVQILOK-NRSPTQNISA-N 477.606 2.404 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@@H](C)[C@@H](C)C1 1740988717 NLZFPRPFFFRYCV-SJORKVTESA-N 456.576 2.004 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1740989863 ZJSVSEBSDOQNGH-PNLZDCPESA-N 464.563 2.458 30 10 JEEE CCC(O)(CC)Cn1c(Cc2cccnc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1744195156 GQFJDXRVFKFVJG-SFHVURJKSA-N 461.574 2.192 30 10 JEEE COc1cc(OC)cc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCN2CCN(C)C(C)(C)C2)c1 1748571688 DTQKRKPIEYBFGQ-DEOSSOPVSA-N 471.581 2.430 30 10 JEEE C#CCN(C)c1nnc(-c2ccccc2Br)n1C[C@H]1CCCN1S(C)(=O)=O 1748780414 WXCVAHTUHTYMSP-CQSZACIVSA-N 452.378 2.201 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1Cc1nccc(C(F)F)n1)[C@H]1CCS(=O)(=O)C1 1748810436 WFEBKXZRGXEHBF-INIZCTEOSA-N 488.520 2.356 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1CCN1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1748811486 HUVJGZUWNTVKIO-FQEVSTJZSA-N 471.627 2.312 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCN(CC)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1748814879 KOIQRLLQTCXMRS-RBUKOAKNSA-N 495.646 2.403 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCn1ccnn1 1748847344 SJKGUACBXZQHFQ-IBGZPJMESA-N 452.563 2.147 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cnc(C)s1 1748964990 OGOBLBIXQNBQIH-GOSISDBHSA-N 476.603 2.486 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2Cc2cnn(CCOC)c2)CC1 1748978591 NTHJNWJOBJARBT-UHFFFAOYSA-N 471.512 2.193 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCCOCC2CCOCC2)CC1 1749009940 XVDBMIKIXYFIDD-UHFFFAOYSA-N 454.575 2.072 30 10 JEEE C#CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1749022493 BNOMCBBEWHXGJZ-OAHLLOKOSA-N 486.461 2.426 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](OCCOC)C1 1749117927 AKJDTDDSZTWNFA-HBFSDRIKSA-N 456.547 2.148 30 10 JEEE C=C(Cn1c([C@H](C)OCCOC)nnc1N1CCN(c2cnn(C)c2)C(=O)C1)c1ccccc1 1749242116 BZJCJGLNXKMSNW-IBGZPJMESA-N 465.558 2.302 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1749351901 DGIDGNULNLZFQX-JBYIUTFZSA-N 452.621 2.149 30 10 JEEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1749353849 BVNNRCQDMMBSQK-UHFFFAOYSA-N 482.589 2.102 30 10 JEEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1cccc(C)c1)N1CCOCC1 1749488943 PGWWREKYAQPGTG-SFTDATJTSA-N 459.616 2.184 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCC(CO)CC1 1749658666 UAFQDRYZYSGBNT-UHFFFAOYSA-N 452.328 2.358 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCCN2CCC[C@@H](C)C2)C1 1749713253 QPTMMQNMCKCFHC-QHAWAJNXSA-N 465.664 2.474 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1Cc1ncnn1C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1760192301 SNALLBYDYUIMCQ-IBGZPJMESA-N 497.625 2.187 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@](C)(O)C(C)C 1760248008 XSHDEYOZSCQZEB-DEOSSOPVSA-N 452.559 2.168 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@]2(O)CCC[C@H]2C)CC1 1760266663 IAKBZMRQQAYFED-OSPHWJPCSA-N 466.542 2.370 30 10 JEEE C=C(C)COCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1760351526 IMKWDWJPMOEBEQ-DEOSSOPVSA-N 452.559 2.456 30 10 JEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](Oc2ncccc2F)C1 1760433290 RDIRSMMWRWADTH-JKSUJKDBSA-N 452.556 2.436 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 1760514934 OYSYDCKRHLKLAF-HXUWFJFHSA-N 474.528 2.028 30 10 JEEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N(C)C[C@H]1CCCO[C@H]1c1ccccc1 1760527434 WWWSWVSFCMFSSV-YKSBVNFPSA-N 466.586 2.307 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1760553417 UECOVHPMTMIWMF-OAQYLSRUSA-N 472.659 2.071 30 10 JEEE CC(C)C(=O)NC[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCO[C@H]2C)C1 1760843246 AHSMSCRKVUDTLD-ZVOVDXHFSA-N 496.612 2.257 30 10 JEEE CCOc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CN(CC(C)C)CCO1 1766089591 GNGMOHHNVGVJIM-NHCUHLMSSA-N 484.601 2.341 30 10 JEEE CCO[C@@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCn2cc(Br)cn2)CCOC1 1767438314 FCZMSTANUCSPJG-MSOLQXFVSA-N 468.331 2.031 30 10 JEEE C=CCN(CC=C)C(=O)[C@H]1CSCN1C(=O)[C@H]1CC(=O)N(CCc2ccc(OC)c(OC)c2)C1 1862162605 QTZZWASUXQEREW-VQTJNVASSA-N 487.622 2.197 30 10 JEEE CN(C)CCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(O)c([N+](=O)[O-])c1 1862745211 DFPFAGFPKLTEHG-SFHVURJKSA-N 456.411 2.349 30 10 JEEE COC(=O)c1ccc(CSc2nnc(CNC(C)=O)n2/N=C/c2cccc([N+](=O)[O-])c2)o1 1874433291 JIDDWOHJPWFIIL-ZVBGSRNCSA-N 458.456 2.377 30 10 JEEE CC1(C)[C@@H](O)CC[C@]2(C)C3=C([C@@H](O)C[C@@H]12)[C@]1(C)C(=O)C[C@H]([C@](C)(O)C[C@H]2OC2=O)[C@@]1(C)CC3=O 2069566416 HNPBELHZISIXLS-TUGPZPATSA-N 474.594 2.492 30 10 JEEE C[C@@H]1CC[C@@H]([C@H](NC(=O)OC(C)(C)C)C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)O1 2180991080 JHLKHODUJIJQFL-KBMXLJTQSA-N 462.356 2.175 30 10 JEEE CC(C)(C)OC(=O)N1CC(n2cc(C(=O)N3CCC=C(B4OC(C)(C)C(C)(C)O4)C3)nn2)C1 2189209448 LNUAVNJVYWJPDE-UHFFFAOYSA-N 459.356 2.474 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2CCO[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)C1 2255196240 BHQCHJOTSUGZSP-LQIMFHHOSA-N 451.564 2.434 30 10 JEEE C=C(CS(=O)(=O)N[C@H]1CCO[C@H](CNC(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2255801383 LWIYLSRGIGYNGH-HOTGVXAUSA-N 460.402 2.166 30 10 JEEE CC(C)(C)OC(=O)N1[C@H]2C[C@@H]1CN(S(=O)(=O)c1ccc(B3OC(C)(C)C(C)(C)O3)s1)C2 2255950374 MGYBMBFIMOKQDK-OKILXGFUSA-N 470.422 2.430 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(CNC(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)s1 2256671369 RTCQWKVHMNAEAO-HNNXBMFYSA-N 454.398 2.248 30 10 JEEE COCCN(C(=O)c1occc1B1OC(C)(C)C(C)(C)O1)C1CN(C(=O)OC(C)(C)C)C1 2267181842 YCKGSAZHJMHVDF-UHFFFAOYSA-N 450.341 2.287 30 10 JEEE CN1CCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)[C@H](CNC(=O)OC(C)(C)C)C1 2267290616 FNHOFLOZUZAWCZ-OAHLLOKOSA-N 465.425 2.328 30 10 JEEE C[C@@H](CCCN(C)C(=O)OC(C)(C)C)NC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2267502492 OQCUKXOXTBFVLD-HNNXBMFYSA-N 450.389 2.485 30 10 JEEE CN(Cc1ccccc1)[C@H]1CCN(S(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267718457 UBGYNHNGTDVNSY-FQEVSTJZSA-N 457.405 2.276 30 10 JEEE COc1ccc(NC(=O)[C@@H](CO)CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2268716154 MIZSYDZGLXMISY-CQSZACIVSA-N 450.341 2.066 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C1 2268778988 WWEJRHXPSRVEOV-UHFFFAOYSA-N 461.393 2.365 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H](F)C2CN(C(=O)OC(C)(C)C)C2)n1 2281993169 XJMNIHBOUSJRRR-INIZCTEOSA-N 466.363 2.137 30 10 JEEE Cc1nc(C(=O)N[C@@H]2CO[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)c(B2OC(C)(C)C(C)(C)O2)s1 2282014152 OIIPHNYUTYZGHF-ZNMIVQPWSA-N 479.408 2.115 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C(F)(F)C2)n1 2282039436 VIEBVRJJWJCKJE-AWEZNQCLSA-N 470.326 2.094 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@@H]2[C@@H](NS(=O)(=O)Cc3ncsc3B3OC(C)(C)C(C)(C)O3)[C@@H]21 2282503561 BVOLHQXXHAVWDS-FVQBIDKESA-N 499.464 2.260 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@]12CCN(S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1)C2 2282504399 OHFQBYGTTWRQPR-NRFANRHFSA-N 499.464 2.357 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1[C@H]2CC[C@H]1CN(C(=O)OC(C)(C)C)CC2 2282541499 YWQSPNLIEKWLEQ-HOTGVXAUSA-N 460.384 2.333 30 10 JEEE Cn1ncc(C(=O)N[C@H]2C[C@H]3CC[C@H]2N(C(=O)OC(C)(C)C)C3)c1B1OC(C)(C)C(C)(C)O1 2282575006 WZENOCMHLXFQEW-HYVNUMGLSA-N 460.384 2.237 30 10 JEEE Cc1cc(C(=O)N2C[C@H](NC(=O)OC(C)(C)C)[C@@H]3COC[C@H]32)oc1B1OC(C)(C)C(C)(C)O1 2282585974 SFTOQWDXKCNUJU-HRCADAONSA-N 462.352 2.251 30 10 JEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC2CC3(C2)CC(OCc2ccccc2)C3)n1 2282623332 DUEYNCUVHUQCOL-UHFFFAOYSA-N 452.364 2.372 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)[C@@H]2COC[C@@H]12 2282655987 FHQFRCTZIGMFTC-QXAKKESOSA-N 458.364 2.350 30 10 JEEE CC(C)(C)OC(=O)N[C@H](C(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)cs1)[C@@H](O)C(F)(F)F 2284129238 MHCXZNVKWMIPPT-UONOGXRCSA-N 494.341 2.480 30 10 JEEE COC(=O)c1ccc(C=Nn2c(SCC(N)=O)nnc2[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1 2325917534 BZWFFEGDDPHBRZ-LJQANCHMSA-N 492.561 2.040 30 10 JEEE COC[C@@]1(C(=O)N2CC[C@@H](B3OC(C)(C)C(C)(C)O3)C2)CN(C(=O)OC(C)(C)C)CCO1 2342564200 HIRHTIPHHUPZHL-OPAMFIHVSA-N 454.373 2.334 30 10 JEEE Cn1ncc(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 2359268233 APWPAPUFAAMUDF-YQQAZPJKSA-N 460.384 2.095 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N=[S@@](C)(=O)C[C@H](C)NC(=O)OC(C)(C)C)n1C 2362324384 RFVIXGFAGMXXDU-KMWOBCOYSA-N 484.428 2.179 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1CC(C)(C)CN1C(=O)OC(C)(C)C 2362356163 OOKVKGYPBZLYDJ-HNNXBMFYSA-N 462.400 2.485 30 10 JEEE COC(=O)c1ccccc1NC(=O)CSc1nnc(N/N=C/c2cc([N+](=O)[O-])ccc2O)[nH]1 21075416 LHRIXTVKGYQRPA-AWQFTUOYSA-N 471.455 2.382 30 10 JEEE C=CCSc1nnc(NC(=O)CSc2nnc(-c3cccc([N+](=O)[O-])c3)n2N)s1 59046247 QDFSUXMHKOZXJL-UHFFFAOYSA-N 450.531 2.428 30 10 JEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OCCOC)cc2)c(=O)n1-c1ccccc1C 501220741 BBJCQABCPXLDAZ-UHFFFAOYSA-N 475.570 2.038 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)C[S@](=O)CC(=O)OCCOc3ccccc3)cc21 586351575 RUNYBBDJBGSAQS-YTTGMZPUSA-N 457.504 2.152 30 10 JEEE CCCCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1cccc(C)c1 729668295 FXLCRQTYIIARDW-UHFFFAOYSA-N 457.559 2.275 30 10 JEEE COc1ccc(NC(=O)CSc2nnc(NN=Cc3ccccc3[N+](=O)[O-])n2N)cc1OC 1084114648 BBINPMXPKRNVGN-UHFFFAOYSA-N 472.487 2.094 30 10 JEEE COc1ccc(C(C)=NNc2nc(SCC(=O)Nc3ccc4c(c3)C(=O)NC4=O)n[nH]2)cc1OC 1084127026 XMXDGXQMBVMXLD-UHFFFAOYSA-N 495.521 2.272 30 10 JEEE C#CCN1C(=O)[C@@H]2[C@H](c3coc4cc(C)c(Cl)cc4c3=O)N[C@@](CCSC)(C(=O)O)[C@@H]2C1=O 1088595065 CFCRQBWWSJKHCY-DWKCODDLSA-N 488.949 2.210 30 10 JEEE CN(CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 1167499175 DCUWEIUBAMZTLW-SFTDATJTSA-N 459.566 2.476 30 10 JEEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2C[C@H](O)[C@H](O)C2)c1 1178286639 JTUNEIVRZKCPTB-DVEQWEMESA-N 450.944 2.335 30 10 JEEE N#Cc1cccc(-c2cnc(CNS(=O)(=O)C3CN(C(=O)OCc4ccccc4)C3)[nH]2)c1 1211258524 GUXPSIQMPCZBEF-UHFFFAOYSA-N 451.508 2.389 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H](C)CNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1286386768 HELBSIRDYKHBQR-IRXDYDNUSA-N 476.603 2.061 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CC1(O)CCCC1)[C@H]1CCS(=O)(=O)C1 1286397204 RZOQDOVAUGSSIH-IBGZPJMESA-N 458.584 2.097 30 10 JEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@]2(N(C)C)CCC[C@@H](C)C2)CC1 1286483986 BVPYHVJNGZHYJB-NLFFAJNJSA-N 452.651 2.405 30 10 JEEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1286498902 BSONLFNDCNOWJD-FDDCHVKYSA-N 490.651 2.489 30 10 JEEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1286503792 JIWSPIJDFYPRMQ-LJQANCHMSA-N 469.659 2.219 30 10 JEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccccc1N1CCOCC1 1286505007 UKADTWHHESVCBY-LJQANCHMSA-N 454.600 2.069 30 10 JEEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1286511717 OFOVDCYVKUQSJI-KRWDZBQOSA-N 474.656 2.377 30 10 JEEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1286530020 DGRCUDCPRVQLRA-UHFFFAOYSA-N 480.411 2.151 30 10 JEEE C=C(Cl)Cn1c(-c2noc3c2COCC3)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1286628123 YBIDIACOBVGTBU-UHFFFAOYSA-N 470.983 2.057 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(C)cc2OC)CC1 1286647121 ZVOKLCNGXFANNF-HXUWFJFHSA-N 461.588 2.133 30 10 JEEE C=CCNC(=O)Cn1c(N2CC[C@](O)(c3ccc(C)cc3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1286792767 HGHBXXYDOHGGSM-JWQCQUIFSA-N 469.586 2.027 30 10 JEEE CN(C[C@@H]1CCCCO1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1298535543 GLRCWZSLLXVQBA-UXHICEINSA-N 458.588 2.246 30 10 JEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CCO)Cc1ccc(Br)s1 1300411476 SLPLAVOPTDNJOX-AWEZNQCLSA-N 487.445 2.417 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@](C)(O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1300482514 GIUOFZUCLQFXQE-XXBNENTESA-N 454.552 2.381 30 10 JEEE C#CCN(c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1300492845 OYKNBXHCMOZNJB-WZONZLPQSA-N 469.567 2.388 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H](C)c1nc(C)cs1)[C@H]1CCS(=O)(=O)C1 1300495974 LZDWGBIRHAVURT-NXHRZFHOSA-N 463.629 2.367 30 10 JEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCN1CCCO[C@@H](C)C1 1300534447 BRNNTJDVTJOULB-QFIPXVFZSA-N 476.629 2.026 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H](C)c1ccc(OC)cc1 1300578071 GWKVBYRDURKNER-NFBKMPQASA-N 499.637 2.276 30 10 JEEE C#CCSCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1300732646 BZXPLGFLBUGDEO-QGZVFWFLSA-N 481.619 2.395 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1301515372 UAWBHMNLDFBJNO-QGZVFWFLSA-N 458.538 2.039 30 10 JEEE C[C@H]1CN(CCN(C)c2nnc(-c3cccc(C#N)c3)n2CCCC(=O)N(C)C)C[C@@H](C)O1 1302901234 HAQDHVFGILAZLJ-KDURUIRLSA-N 453.591 2.231 30 10 JEEE CC(C)N(C)C(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1303251413 CBPHUMQLWAGYSO-IBGZPJMESA-N 484.626 2.335 30 10 JEEE C#Cc1cccc(NC(=O)NC(=O)Cn2nnc(C3(NC(=O)c4ccccc4)CCCC3)n2)c1 1307306215 SUUJOTAJBGHSQQ-UHFFFAOYSA-N 457.494 2.202 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H]1CCCOC1)[C@H]1CCS(=O)(=O)C1 1358959438 IUPCZWBELUIYHA-MJGOQNOKSA-N 474.583 2.016 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCN1CCN(C(C)=O)CC1 1358984981 MERNNUNPCRPPTR-FQEVSTJZSA-N 466.561 2.184 30 10 JEEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1358985883 JIMBOIOAKSEZKA-LVXARBLLSA-N 478.597 2.062 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccccc2COCC)CC1 1359044092 VIGQWHXQBBXCBR-UHFFFAOYSA-N 461.570 2.229 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccc(OC)cc3)n2Cc2cc(C)on2)CC1 1359047155 TXLJAYYQTDHYOB-UHFFFAOYSA-N 462.554 2.382 30 10 JEEE C#CCSCCn1c(-c2ccccc2F)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1359053075 AIGPUWAVVGLUJH-SFHVURJKSA-N 456.547 2.217 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC(Cn3cc(C)cn3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1359305902 QDJRBRGIKWESAP-XMMPIXPASA-N 471.606 2.042 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(C(=O)OCc2ccccc2)CC1 1359326538 CHICEPYGZOZXKK-UHFFFAOYSA-N 461.588 2.461 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1359335321 IATJBWOODZCYOX-FGZHOGPDSA-N 490.626 2.459 30 10 JEEE COC(=O)c1cc2ccccc2cc1S(=O)(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 1475099394 BQUNHQMIGAKEMB-HNNXBMFYSA-N 451.508 2.187 30 10 JEEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)C[C@H]1COc2ccccc2O1 1475678069 XKTZWPXLOPDJAG-GOSISDBHSA-N 450.557 2.491 30 10 JEEE CCN(CC)C(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2nnc(C)s2)CC1 1501779867 AXLAWAFXMFNRST-UHFFFAOYSA-N 493.641 2.210 30 10 JEEE CN(C)C1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@@H](CC(N)=O)C2)CCC1 1503389319 BODCSEUOTVBFMR-IBGZPJMESA-N 451.575 2.305 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)ccc2Br)n1CCOCC)[C@@H]1CCS(=O)(=O)C1 1507625165 HMRBUELNNLFQPY-OAHLLOKOSA-N 497.415 2.379 30 10 JEEE C#CCN(c1nnc(C)n1CCc1ccc(OC)c(OC)c1Cl)[C@@H]1CCS(=O)(=O)C1 1507626799 OZHWBYQKJAMVBM-MRXNPFEDSA-N 452.964 2.127 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H](OC)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1507630203 URVGJJXSSWYCMT-YLJYHZDGSA-N 474.583 2.362 30 10 JEEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1CCn1cc(Br)cn1 1507661248 PZHIQTSSBDWUOR-FQEVSTJZSA-N 461.364 2.052 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2Cc2conc2COC)CC1 1507719987 QZHBRSKFIANLSI-QGZVFWFLSA-N 454.506 2.495 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2Cc2ccc(OC)cc2F)CC1 1507739199 ASNZPPJEXAHAIG-UHFFFAOYSA-N 462.529 2.426 30 10 JEEE C#CCSCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1507756806 MWOVTGZDIKYKAU-UHFFFAOYSA-N 479.610 2.427 30 10 JEEE C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CCSCC 1507785114 NEBUMURSVMORES-GJZGRUSLSA-N 496.497 2.488 30 10 JEEE C=CCCOCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1507965486 HAIZFSMAPYTOHW-SOAMZJECSA-N 450.580 2.150 30 10 JEEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC[C@H](C(F)F)N1CCOCC1 1507978968 WQEUMLABWGWJQB-QGZVFWFLSA-N 483.589 2.216 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c(-c2ccccn2)nnc1N1CCN2C(=O)NC[C@@H]2C1)C(C)C 1508011630 UPHTZRTXVMNIQR-TZIWHRDSSA-N 450.591 2.253 30 10 JEEE C=CCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCN(C(=O)NCC)CC1 1508057690 HVNWPJLEUPAVJP-UHFFFAOYSA-N 450.547 2.273 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCO[C@@H](c2nccs2)C1 1508087516 SNDXJDMVDQBHFG-GOSISDBHSA-N 454.556 2.214 30 10 JEEE C=CCOc1ccccc1Cn1c(-c2cccn2C)nnc1N1CCC(OCC(N)=O)CC1 1508107129 YNDUURSXRMDEDD-UHFFFAOYSA-N 450.543 2.367 30 10 JEEE C=CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)Cc1cnn(C)c1 1508155474 NMHPBHCTBSOPLX-UHFFFAOYSA-N 450.572 2.481 30 10 JEEE C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)[C@@H](C)CC#N)n1C[C@@]1(O)CCS(=O)(=O)C1 1510255744 HRAUGQQVOWJKRX-AVYPCKFXSA-N 467.979 2.359 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCOC(F)(F)F 1539409274 VDYUISDOMQCATR-UHFFFAOYSA-N 464.448 2.205 30 10 JEEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1CCC[C@H](O)C1 1539416500 OQPAAKADFVCIEL-CTNGQTDRSA-N 453.591 2.089 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2CCN2CCCCCC2)CC1 1539462310 SJYHEEGCBBXROD-UHFFFAOYSA-N 452.603 2.497 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCOc2ncccc2Cl)CC1 1539481985 QMLBEODWYSZAFD-GOSISDBHSA-N 472.977 2.265 30 10 JEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](Nc2ccccc2)C1 1539497013 JHDZFWPZEHCAPU-MJGOQNOKSA-N 462.645 2.336 30 10 JEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(c2cc(F)ccc2F)CC1 1539526889 WCJYGQFBVATNIJ-UHFFFAOYSA-N 460.554 2.372 30 10 JEEE C=C(C)COCCn1c(N2CCN(c3ccc(F)cn3)CC2)nnc1[C@]1(OCC)CCOC1 1539758924 CHKNRRVXFVTSOO-QHCPKHFHSA-N 460.554 2.384 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1539903558 ZXBDEGYVZWFHIQ-AEFFLSMTSA-N 470.549 2.307 30 10 JEEE C=CCCOCCn1c(-c2ccccc2OC)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1540027211 SBCGMQUZIBNTMD-OAQYLSRUSA-N 468.602 2.289 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCOC[C@H]1C 1540902584 MJSAUJQXRLFTSU-QGZVFWFLSA-N 483.635 2.219 30 10 JEEE CC(=O)N(C)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCO[C@H]2CCOC2)CC1 1540933119 FKLRHSNIMPZFGB-QHCPKHFHSA-N 482.585 2.371 30 10 JEEE CC(C)CCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCn1cc(Cl)cn1 1541513783 FJYZJESOIMBVQR-MRXNPFEDSA-N 454.000 2.496 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CC1(N(C)C)Cc2ccccc2C1 1541925542 DZXAYKUXDBWUEP-SFHVURJKSA-N 485.658 2.118 30 10 JEEE CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1547319769 BDSPZZOWESJDCE-IBGZPJMESA-N 478.557 2.358 30 10 JEEE CCNC(=O)C(C)(C)Cn1c(-c2ccc(C)o2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1547742199 DTZBPTZSOPIBLM-MRXNPFEDSA-N 477.573 2.386 30 10 JEEE CCNC(=O)C1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)CCC1 1547754062 DAIAQCJCKNEDHY-IBGZPJMESA-N 470.599 2.137 30 10 JEEE Cc1cc(C(=O)N2C[C@H](C(N)=O)C3(CCN(c4ccc(C#N)c(C(F)(F)F)c4)CC3)C2)n(C)n1 1548375127 DCVHKOUCMXSOQO-GOSISDBHSA-N 474.487 2.463 30 10 JEEE COCC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CN2CCOCC2)CC1 1555418682 CYSSKALJOXJVHT-VWLOTQADSA-N 468.602 2.153 30 10 JEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(CCO)Cc1ccc(OC)cc1 1558104471 HMYJFSDLSKNWOF-FQEVSTJZSA-N 459.568 2.314 30 10 JEEE C=CCn1cc2ccc(NC(=O)CN3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)cc2n1 1558514716 YAITXGNLQPCUJM-UHFFFAOYSA-N 453.568 2.476 30 10 JEEE CC(C)N1CCC(N2CCN(S(=O)(=O)c3ccc(C#N)c(Br)c3)CC2)CC1 1561394766 BMFDHVLJSOOOKR-UHFFFAOYSA-N 455.422 2.500 30 10 JEEE N#C[C@@H](c1cccc(Cl)c1)N1CCN(S(=O)(=O)c2ccc3nc(O)nc(O)c3c2)CC1 1561529858 ASFBDQVAEJZPJS-SFHVURJKSA-N 459.915 2.266 30 10 JEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](CC)[C@H](c2ccc(C)cc2)n2cncn2)c1 1566470814 ZGFSXWMFLWARPV-VXKWHMMOSA-N 451.552 2.296 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCOc1ccccc1C)[C@H]1CCS(=O)(=O)C1 1588054970 QTGUCEFOPJEMMB-PMACEKPBSA-N 458.584 2.186 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H](C)Oc2ccccc2F)CC1 1588752820 WWWDYHZVDCOFEJ-DVECYGJZSA-N 457.550 2.292 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2CC2CCN(C(=O)OC)CC2)CC1 1588849090 YLZZYKQTAPHXNT-UHFFFAOYSA-N 454.550 2.242 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H](C)N(C)C2CC2)CC1 1588898864 FVOZFZHDTLJEDQ-SFHVURJKSA-N 480.613 2.411 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(Cl)cc2OC)CC1 1588923762 LKYWJMIPLOOMEC-UHFFFAOYSA-N 465.945 2.411 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2CCNC(=O)c2ccco2)CC1 1588961512 BPKKDYCFCZLGTQ-UHFFFAOYSA-N 474.565 2.052 30 10 JEEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 1589069917 OSTGCZVKRPRTLV-QKNQBKEWSA-N 457.648 2.401 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2ccc(Cl)nc2C1 1589492689 CNIAFEBQYNICMB-QOKNQOGYSA-N 481.022 2.481 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCCS(=O)(=O)C1 1589641915 RCRQDTIJKJRCOT-KRWDZBQOSA-N 470.599 2.419 30 10 JEEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H](N2CCCC2=O)C1 1593764021 UVQIXTDGFIVINJ-KRWDZBQOSA-N 458.588 2.063 30 10 JEEE C=C(C)COCCn1c(COc2ccc(F)cc2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1593769460 NJOAATKRZVRVPH-OAQYLSRUSA-N 486.548 2.356 30 10 JEEE C=C(Cl)Cn1c(-c2cccc(Br)c2)nnc1N1CCN(CC(=O)NCCOC)CC1 1593826936 UCDIXMAMBWNUBM-UHFFFAOYSA-N 497.825 2.345 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCOCCC(C)C)CC1 1594097402 SLEGDTQNKVKBCA-LJQANCHMSA-N 455.625 2.220 30 10 JEEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1595434802 SWKAREZPWUHZQU-RTBURBONSA-N 485.658 2.082 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(Cc2ccccc2OC)CC1 1595545457 XKGONOHMVSGGQV-NRFANRHFSA-N 454.575 2.153 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1595777399 MFKNJVXBBAQSEM-FQEVSTJZSA-N 472.615 2.128 30 10 JEEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@](C)(O)C2CC2)C[C@@H]1C 1619951450 DSEJXIQGXHGIRY-MHECFPHRSA-N 454.575 2.047 30 10 JEEE C=CCNS(=O)(=O)c1cccc(C(=O)N(C[C@H](O)CC(C)(C)C)C2CCN(C)CC2)c1 1640528239 ZVPAPSYSIWTKFM-HXUWFJFHSA-N 451.633 2.484 30 10 JEEE CS(=O)(=O)c1ccc(F)c(C(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)c1 1640947110 GXRANASEZNAROV-UHFFFAOYSA-N 453.499 2.453 30 10 JEEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)c1 1661142707 QHQQFHHKHXALJD-SFHVURJKSA-N 451.907 2.479 30 10 JEEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)CC1 1666307367 LIDLIBZWEPVCED-UHFFFAOYSA-N 453.524 2.276 30 10 JEEE C#CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1689892593 IQIKMKSWMDKFFN-HXUWFJFHSA-N 471.631 2.269 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CCCO[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1689983980 IROFXAYHEYZNOE-FGZHOGPDSA-N 472.611 2.330 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1Cc1nc(C(C)(C)C)cs1)[C@@H]1CCS(=O)(=O)C1 1689988004 HKARGFUSHMWLCO-OAHLLOKOSA-N 471.612 2.164 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1ccc(OCCC)nc1)[C@@H]1CCS(=O)(=O)C1 1689991609 AJLLKOATTBZBSI-OAQYLSRUSA-N 480.594 2.123 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN1CCC(C)CC1 1690100839 DXUMNQLCRGEOTH-UHFFFAOYSA-N 463.586 2.010 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@](C)(O)c2cccc(Cl)c2)CC1 1690111871 LGQQOFJHAORYEI-MBSDFSHPSA-N 461.994 2.318 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2Cc2cnccc2OC)CC1 1690114813 IGSFGNXDZJQGDI-UHFFFAOYSA-N 478.553 2.178 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CC(=O)NCC)CC1 1690241891 YRKGESNHWKBMAX-KNQAVFIVSA-N 483.573 2.093 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(CC(=O)NCC)CC1 1690254891 KBQZQRRFZUXBJI-PABCKOPISA-N 488.677 2.436 30 10 JEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(OC)c(OC)c2OC)CC1 1690363961 GEPSYVFSYSYRPC-HNNXBMFYSA-N 465.576 2.119 30 10 JEEE C=CCCCCn1c([C@H]2CCCO2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1690469487 QRAVWOSXEPCUTC-RBUKOAKNSA-N 453.609 2.117 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCN(C(=O)OC)CC2)cc1 1690678204 OLAFPSDIJXJHJT-UHFFFAOYSA-N 454.531 2.016 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](C)Oc2ccccc2OC)C1 1690699891 KOXFFEXZPWFZCM-GBESFXJTSA-N 476.599 2.438 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCS(=O)(=O)C(C)(C)C)C1 1690712657 ZXOPPSPLDNIZGG-SFHVURJKSA-N 450.609 2.134 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCC[C@H](c2nnc3n2CCC3)C1 1690723782 AYKVCGMVHZIHFD-KRWDZBQOSA-N 461.636 2.389 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1Cc1ccc(F)cc1F)[C@@H]1CCS(=O)(=O)C1 1705559041 OYRJECPZVBPCGR-GOSISDBHSA-N 479.553 2.150 30 10 JEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1705581623 GVTNLDFFOXYINY-VXKWHMMOSA-N 490.656 2.413 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1([S@@](C)=O)CCC1 1705595601 YIRFODLWWFRGAV-JGCGQSQUSA-N 472.640 2.002 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCCN(C(C)=O)C1 1705597687 NRCOYJNQNDOZRM-YADHBBJMSA-N 498.628 2.308 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](c2ccsc2)N(CC)CC)CC1 1705632586 VGRNBNCHSYIBJU-FQEVSTJZSA-N 457.648 2.316 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCCC2CCOCC2)CC1 1705645395 SINZPKVSXMAZQG-RUZDIDTESA-N 473.618 2.103 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCN(C(=O)C(C)C)CC2)nnc1[C@]1(OCC)CCOC1 1705707532 MVUGLOPXTOGICL-NMMYMHLASA-N 461.607 2.216 30 10 JEEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCCOc1ccc(F)cc1 1705755340 RPZFVYPGLXDYCM-GOSISDBHSA-N 487.985 2.408 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCN(C(C)C)C(C)C)CC1 1705782284 SWXMTVFKFFIKBX-FQEVSTJZSA-N 468.668 2.132 30 10 JEEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(C)cc1N1CCOCC1)C1CC1 1705849410 LVMUDFVHKIFEDN-GOSISDBHSA-N 474.631 2.236 30 10 JEEE C=CCN(c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](C)N1CCOCC1)C1CC1 1705853692 DNBFSCVVLSVPLH-ICSRJNTNSA-N 476.622 2.462 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1)C(C)C 1705869569 YNOQSSMGUWWGNH-QHAWAJNXSA-N 457.623 2.037 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCO[C@@H](c3noc(C(C)C)n3)C2)nnc1C(C)(C)C 1705938708 HRMXNGGFRJYMAD-OAHLLOKOSA-N 452.581 2.261 30 10 JEEE C=CCSCCn1c(N2CCN(c3cnccn3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1705950345 YGWGZDFSMCVQLD-JOCHJYFZSA-N 459.620 2.355 30 10 JEEE C=CCSCCn1c(N2CCN(c3cnccn3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1705950346 YGWGZDFSMCVQLD-QFIPXVFZSA-N 459.620 2.355 30 10 JEEE CN(CCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](C#N)C1)c1ccccc1 1711213953 GJHQLHYIVHVJEF-SFHVURJKSA-N 451.556 2.135 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc(C)o3)n2CCN/C(O)=C2/N=CC=CC2=O)c1 1722306172 ZGYFHUFQVGUIIP-BZZOAKBMSA-N 499.531 2.429 30 10 JEEE C#CCCCn1c(COc2ccccc2OC)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1722340261 SPAKJGAUVCZBBX-LJQANCHMSA-N 473.599 2.283 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1722362055 MHWSLIZEWHIWFD-DOTOQJQBSA-N 464.975 2.270 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1cccc(C(F)(F)F)n1)[C@H]1CCS(=O)(=O)C1 1722365938 GISXAELTXFSDQL-WBVHZDCISA-N 483.516 2.261 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CC1(N(C)C)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1722369383 YNEGEFOGXLEZNS-WOJBJXKFSA-N 463.648 2.411 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1nccc(C(F)F)n1 1722394297 RODSIIPJWRXGKG-UHFFFAOYSA-N 484.536 2.477 30 10 JEEE C#CCN(CC)c1nnc(-c2ccccc2Br)n1CCNS(=O)(=O)Cc1ccon1 1722408854 VCZGSYRHSSFBRB-UHFFFAOYSA-N 493.387 2.275 30 10 JEEE C=CCC(C)(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1722581421 VHPQBHAWZGKWTL-UHFFFAOYSA-N 459.595 2.319 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1722695603 JNOMGUBDRZANJB-UHFFFAOYSA-N 475.878 2.318 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccnc(OCC(F)(F)F)c2)C1 1722715519 TVWCCBVDSIEYGK-HOTGVXAUSA-N 466.464 2.395 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](C)C1 1722751755 UDHQJOBPVUVJKO-MRXNPFEDSA-N 452.602 2.186 30 10 JEEE CC(C)CCN(CCC#N)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@]1(O)CCO[C@@H]1C 1723419108 CAAGQIWWUDSVKD-CJAUYULYSA-N 479.585 2.498 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C(F)(F)F)c1 1740550933 JXFNTAOBGDWWKT-YOEHRIQHSA-N 471.505 2.136 30 10 JEEE C#CCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1740572275 GEXFXDVPBXRXRC-UHFFFAOYSA-N 454.538 2.441 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H](C)N1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1740622069 SYHNEMDEFNDNDQ-SLFFLAALSA-N 456.616 2.087 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H]1CCCCN1CCCC)[C@@H]1CCS(=O)(=O)C1 1740622369 BXFPKYMMQMTVPK-VQTJNVASSA-N 471.631 2.016 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1CCc1nccs1)[C@@H]1CCS(=O)(=O)C1 1740628409 QBSOFNPJKWUXLB-GOSISDBHSA-N 471.608 2.491 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)c(OC(F)F)c1 1740656285 JWXHYRQAGLODIJ-KRWDZBQOSA-N 478.521 2.301 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCS(=O)(=O)C1 1740676271 XYFWWKVIWYLKLT-SFHVURJKSA-N 482.541 2.139 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2CCCNC(=O)C2CCC2)CC1 1740700443 UIAQRDMRZACBFZ-UHFFFAOYSA-N 454.550 2.058 30 10 JEEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2nccc(OC)n2)CC1 1740712408 HMQNRZWVCJKSMT-UHFFFAOYSA-N 460.567 2.308 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(OC)CCOC1 1740732159 TWXJENODGJODIR-NTUVXCKYSA-N 475.590 2.384 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCC(S(=O)(=O)CC)CC2)nnc1[C@]1(OCC)CCOC1 1740767573 PQKKZZBCURTUKB-LEDOBFOHSA-N 482.647 2.315 30 10 JEEE C=CCn1c(COc2ccccc2OCC)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1740948717 ALZUKKHWSWFDGG-UHFFFAOYSA-N 454.575 2.186 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCO[C@H](c2ccco2)C1 1740964271 MWCOYSBXZOLDOW-FQEVSTJZSA-N 453.499 2.339 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](C)N(C)Cc2ccccc2)C1 1740979348 CXPXTLYUCYDMEK-ILWGZMRPSA-N 473.643 2.482 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(C(=O)Cc2ccccc2C)CC1 1740989253 GTMZMWCGYJAGPC-UHFFFAOYSA-N 494.621 2.141 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC[C@@](C)(C#N)C1 1740990744 YWMIIXGCFJGOLX-DEOSSOPVSA-N 495.609 2.406 30 10 JEEE C=CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1740999012 WCUIBAPMDYSUNG-KRWDZBQOSA-N 458.588 2.438 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cnn(Cc2ccccc2)c1 1741801767 CIUYXAJFZWLHBG-PXNSSMCTSA-N 453.572 2.212 30 10 JEEE Cc1cc(C)n(Cc2nnc(N3CC[C@](F)(C#N)C3)n2CC(C)(C)N2C[C@@H](C)O[C@H](C)C2)n1 1742699004 CJWSGHNIGJMENQ-PWHSHALESA-N 458.586 2.470 30 10 JEEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1CCNS(=O)(=O)c1ccc(C)s1 1748774014 PFBKKVGFJNLIIX-UHFFFAOYSA-N 497.444 2.464 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1CCCOC(F)F)[C@@H]1CCS(=O)(=O)C1 1748811354 FGHNZXQLXQYFMQ-OAHLLOKOSA-N 454.499 2.210 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1Cc1ccn(Cc2ccccc2)n1)[C@H]1CCS(=O)(=O)C1 1748818141 WHDAZTMEHWYDST-QFIPXVFZSA-N 466.611 2.396 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC(C)(C)COCC)CC1 1748989061 DLCYETYOCLYDMZ-FQEVSTJZSA-N 490.649 2.404 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC[C@H]2CCO[C@H](C)C2)CC1 1749003587 ODOULRBGOCDDHB-SWYRRKHMSA-N 487.645 2.490 30 10 JEEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1749039693 ZEZJYXKVYMJRFW-KRWDZBQOSA-N 453.568 2.271 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCN(CCOC)[C@@H](C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1749141311 YNOVCENNZAOQMQ-XOEOCAAJSA-N 477.650 2.457 30 10 JEEE C=C(C)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1749200875 ZYGRWZFIOMEOKH-XMMPIXPASA-N 452.559 2.463 30 10 JEEE C=C(C)COCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1749235624 UYNQUXMQIFLLLV-UHFFFAOYSA-N 498.628 2.240 30 10 JEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(CC(F)(F)F)CC1 1749402298 LLZHSKRRHPEEOS-KRWDZBQOSA-N 494.584 2.042 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1749655086 CIVPFCZTLSFLDK-SFHVURJKSA-N 479.545 2.280 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(c2cnn(C)c2)CC1 1749658063 KVFOVRDSIYKQRM-UHFFFAOYSA-N 458.929 2.100 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCO[C@@H](C(C)(C)C)C1 1749666088 GTIUFYHHGUZFHT-LJQANCHMSA-N 479.585 2.228 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC(Nc2cc(OC)cc(OC)c2)CC1 1749668759 DXOYHXINKXSHHM-KRWDZBQOSA-N 470.574 2.182 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](CC)c2ccccc2)nnc1N1CCC(S(C)(=O)=O)CC1 1749725846 VNSBDTXVHCKGRB-HXUWFJFHSA-N 480.656 2.434 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1749738074 DOIBAGVQYDOYFM-CVDCTZTESA-N 460.600 2.048 30 10 JEEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1760132346 HLABMUKIKODQNT-HXUWFJFHSA-N 486.642 2.304 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2CCOc2cccc(C(F)(F)F)n2)CC1 1760263737 NLSMCCDDZFMEHY-MRXNPFEDSA-N 450.465 2.378 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@H]2C[C@H]2C)CC1 1760269644 NLIKLZYQMHFELY-HOJAQTOUSA-N 486.617 2.208 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](OCC)c1ccccc1 1760295786 WILUYSSKAMHMDC-YZUZCNPQSA-N 487.626 2.381 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1760313286 LWEZPZVIYGOHSG-NBMJBFSESA-N 460.579 2.112 30 10 JEEE C=CC[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@H]1CCS(=O)(=O)C1)c1ccccc1 1760416331 ARQCQUMSJBNCCK-PMACEKPBSA-N 457.600 2.497 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CCC(NC(C)=O)CC1 1760515394 NAOJQSBSLSDEJL-UHFFFAOYSA-N 461.364 2.115 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC(O)(c2c(F)cccc2F)CC1 1760524038 NYWDAXJBOPGDPZ-INIZCTEOSA-N 461.513 2.241 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc3ncccc3c2)C1 1760534879 IGKQPNFQPVGKKA-QFBILLFUSA-N 456.572 2.266 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[C@@H](C(=O)OC)C1 1760548282 CINFYXSRRXWWGG-HZPDHXFCSA-N 466.535 2.157 30 10 JEEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)CC(C)(C)C1 1760565705 CQKCQVHPEBFGOY-IRXDYDNUSA-N 457.666 2.403 30 10 JEEE CN(C)C(=O)CC1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(S(C)(=O)=O)CCC2)CC1 1768431996 GKYMBUFJPXMSPR-UHFFFAOYSA-N 484.626 2.479 30 10 JEEE O=C(C1=C(O)C(=O)N(CCCN2CCOCC2)[C@H]1c1ccc(O)cc1)c1ccc2c(c1)OCO2 1862626067 SYGPYZZACMCIFN-QFIPXVFZSA-N 466.490 2.422 30 10 JEEE C=CCn1cc(OCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c(=O)cc1CN1CCCC1 1870598372 DGAGYISFAYEWKS-UHFFFAOYSA-N 477.565 2.445 30 10 JEEE CCN1CCN(CC#CCOC2CCN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC2)CC1 1889807181 CGSIULBHZUELBJ-UHFFFAOYSA-N 489.560 2.396 30 10 JEEE CC(C)(C)OC(=O)NCCN1CCC(C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)CC1 2124681853 WTCJSIFNYMWTDJ-QFIPXVFZSA-N 455.603 2.460 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1COCCN1C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2255707858 BTADYAMDEKNMBB-CQSZACIVSA-N 452.382 2.413 30 10 JEEE Cn1nc(C(=O)NCc2csc(NC(=O)OC(C)(C)C)n2)cc1B1OC(C)(C)C(C)(C)O1 2267120698 NYMJPYNGTJDECJ-UHFFFAOYSA-N 463.369 2.453 30 10 JEEE Cc1csc(C(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)c1B1OC(C)(C)C(C)(C)O1 2267151494 JKIDUCSVCQBCSH-LSDHHAIUSA-N 466.409 2.313 30 10 JEEE Cc1nn(C)c(C(=O)N[C@H](CNC(=O)OC(C)(C)C)C(C)C)c1B1OC(C)(C)C(C)(C)O1 2267521249 OOSCEOVEEXWRFC-OAHLLOKOSA-N 450.389 2.307 30 10 JEEE CC1(C)OB(c2scnc2CS(=O)(=O)N2CCCN(Cc3ccccc3)CC2)OC1(C)C 2267704441 NPHCUAITDIFIJJ-UHFFFAOYSA-N 477.461 2.480 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](CNC(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)OCC12CC2 2281830397 LMEGPMGVFJCEEI-MRXNPFEDSA-N 462.352 2.477 30 10 JEEE CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1CCNC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2281925273 XJLQGUBTFABQGK-ZDUSSCGKSA-N 470.326 2.474 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)[C@H](C(=O)O)C1 2281946043 JFCPQCNWZQDZHE-KRWDZBQOSA-N 460.336 2.132 30 10 JEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2282396201 WMGUCSKXQOMVNX-ZWKOTPCHSA-N 464.343 2.489 30 10 JEEE CCc1nc(C(=O)NCC2(O)CC(NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2282527039 XQOGZJPTJNMTGR-UHFFFAOYSA-N 481.424 2.153 30 10 JEEE Cn1ncc(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 2282534415 FYGOGWOPQCQLOM-XOSAIJSUSA-N 460.384 2.141 30 10 JEEE CC(C)CN(C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1)C1CN(C(=O)OC(C)(C)C)C1 2282571447 CEZOGHWXLJNYPD-UHFFFAOYSA-N 462.400 2.437 30 10 JEEE Cn1nc(C(=O)NC[C@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2282624961 PBYMWEUECGNGLE-CYBMUJFWSA-N 470.326 2.094 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1NS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282829619 HMJIQQKCQQTCFE-ZWKOTPCHSA-N 481.424 2.495 30 10 JEEE CC(C)(C)OC(=O)N1CC(N(CC2CC2)C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2283071904 KCNCLBNXCZZKTI-UHFFFAOYSA-N 458.368 2.247 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H](COCc2ccccc2)C(=O)O)c1 2284462346 GUKKKJPBPICCLY-HXUWFJFHSA-N 455.316 2.394 30 10 JEEE CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)C(=C(C)NCCn3ccc(C)n3)C(=O)[C@@]12C 2297591212 GSGQIGPKDOZXIF-DEOSSOPVSA-N 451.479 2.363 30 10 JEEE CC1(C)OB(c2sncc2C(=O)NC[C@@H]2CN(C(=O)OCc3ccccc3)CCO2)OC1(C)C 2315695591 QBHDDECHQOYYKU-QGZVFWFLSA-N 487.387 2.210 30 10 JEEE N#Cc1ccccc1S(=O)(=O)N1CC[C@@H](C(=O)N2CCN(CC=Cc3ccccc3)CC2)C1 2329699512 NUQFVPFPAKLZAV-HSZRJFAPSA-N 464.591 2.426 30 10 JEEE COCCc1nnc(SCC(=O)NCc2ccccc2)n1N=Cc1cc(OC)c(O)c(OC)c1 2331310846 OOSYFYHJZOZDKV-UHFFFAOYSA-N 485.566 2.481 30 10 JEEE CO[C@H](CNC(=O)OC(C)(C)C)CNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2339877927 FZTWPJQQAFUPAE-HNNXBMFYSA-N 452.332 2.394 30 10 JEEE C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(F)c(B2OC(C)(C)C(C)(C)O2)c(F)c1 2341180172 XWLNLJRYLAGXBF-ZBEGNZNMSA-N 456.295 2.477 30 10 JEEE Cc1c(C(=O)N2C[C@@H]3CC[C@H]2[C@H]3NC(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2359263581 XNPWFAOESYMEGG-ZOBUZTSGSA-N 460.384 2.155 30 10 JEEE COCCSc1nnc(NC(=O)CSc2n[nH]c(N/N=C/c3ccc([N+](=O)[O-])cc3)n2)s1 21037388 LFTLXLCDVFLVKK-CAOOACKPSA-N 495.572 2.480 30 10 JEEE COC(=O)c1cc(Nc2ncnc(N(CCC#N)CCC#N)c2[N+](=O)[O-])cc(C(=O)OC)c1 40593841 WFOGNQJLZLSYLK-UHFFFAOYSA-N 453.415 2.335 30 10 JEEE C[C@H]1C[C@H]2[C@@H]3CC[C@@](OC(=O)CCC(=O)O)(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12 118939063 VDJNUHGXSJAWMH-SQHSCLBMSA-N 474.550 2.219 30 10 JEEE C=CCN(C(=O)CCc1c(C)nc(N2CCOCC2)nc1O)c1nc(C(=O)OCC)cs1 409816547 NLEFRBJCKRETDN-UHFFFAOYSA-N 461.544 2.112 30 10 JEEE C=CCn1c(=C(C#N)C(=O)CC(C)(C)C)sc(=Cc2cc(OC)c3c(c2)OCCO3)c1=O 497566540 WNIIRSLQCUHKIG-UHFFFAOYSA-N 454.548 2.384 30 10 JEEE C=CCNC(=O)c1ccccc1NC(=O)c1cc(O)nc2ccc(S(=O)(=O)N3CCOCC3)cc12 728074484 BEIFPNBUGFFNJS-UHFFFAOYSA-N 496.545 2.129 30 10 JEEE CCOc1ccc(OCC)c(-n2c(=C(C#N)C#N)sc(=Cc3cnn4ccccc34)c2=O)c1 729672527 SBMIEOWYHZOXKX-UHFFFAOYSA-N 457.515 2.371 30 10 JEEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CCc1cccnc1 729673271 WLIMXXHHTSPSPC-QGZVFWFLSA-N 457.559 2.313 30 10 JEEE CC(=NNc1c(F)c(F)nc(F)c1F)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 729816111 CMKRWAYALZGBQJ-UHFFFAOYSA-N 454.427 2.200 30 10 JEEE COc1ccc(C(C)=NNc2nc(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)n[nH]2)cc1 1084072164 ZICCTSWGEWLUPI-UHFFFAOYSA-N 475.556 2.028 30 10 JEEE C#Cc1cccc(NC(=O)NC(=O)CN2CCNC(=O)[C@@H]2c2ccc(Br)cc2)c1 1169676242 QEUBGSOSRDTYPN-IBGZPJMESA-N 455.312 2.252 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1CCc1cn[nH]c1)[C@H]1CCS(=O)(=O)C1 1286383404 MJVGWHNBHIJPTB-KRWDZBQOSA-N 476.509 2.139 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCN1CCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1286387603 GQNBYZHRMBLYTJ-SJLPKXTDSA-N 463.007 2.105 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC[C@@H](C)N(C)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1286392698 JKEFMZALVBVSGE-YMPZKCBVSA-N 485.654 2.319 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CC1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1286398705 MXMVFLIRAPPESY-ZCNNSNEGSA-N 450.605 2.209 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3OCC)n2CCN2CCCCC2)CC1 1286484106 HXAYZBHFJNBGMD-UHFFFAOYSA-N 452.603 2.497 30 10 JEEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](C(F)(F)F)C1 1286511169 GOHXKODPGVUYRQ-AWEZNQCLSA-N 459.519 2.404 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(CN(C)C)c1 1286582288 VTUGEWQZCDQLGM-NRFANRHFSA-N 476.647 2.123 30 10 JEEE C=CCCOCCn1c(-c2cccc(C)n2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1286711498 OYHTXOBCSIRFJY-UHFFFAOYSA-N 495.628 2.182 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc(Cc2ccncc2)n1C[C@]1(O)CCS(=O)(=O)C1 1286763135 UDPMDUKTMFBVMV-XMMPIXPASA-N 467.595 2.049 30 10 JEEE C[C@H](CC#N)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCN1CCC(O)CC1 1288517718 FMTFJSYXKBERML-LJQANCHMSA-N 467.622 2.037 30 10 JEEE CCC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1)OC 1293957241 BQMKMJXHWCDLHO-XMSQKQJNSA-N 465.602 2.421 30 10 JEEE C#CCN(c1nnc(-c2ccc3ccccc3n2)n1CCC(=O)NC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1300488242 CFEBGXRIYMGOAP-IBGZPJMESA-N 494.621 2.425 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1Cc1cnn(Cc2ccccc2)c1)[C@H]1CCS(=O)(=O)C1 1300495012 BEDXKZGQENLSLJ-QFIPXVFZSA-N 466.611 2.396 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1cc(C)ccc1OC(F)F)[C@@H]1CCS(=O)(=O)C1 1300496126 OGTVRDBBOUISBT-FUHWJXTLSA-N 480.537 2.367 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@@H]1CCOC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1300498177 IGMBJFKXPKZIHG-BZSNNMDCSA-N 478.565 2.446 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(C)(C)N1CCC(OC)CC1 1300569263 IMULTXIHUYEQIQ-UHFFFAOYSA-N 487.612 2.273 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@@]2(OC)CCOC2)CC1 1300719027 LTELSQUBMPEHJL-SANMLTNESA-N 497.596 2.124 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2C[C@H](F)COC)CC1 1300719673 LKEQJOCCVLEUAS-FQEVSTJZSA-N 465.533 2.081 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2noc3c2COCC3)nnc1N(C)CC(=O)NC(C)(C)C 1300880263 HQIUOSIYGLSPNP-FOIQADDNSA-N 458.563 2.338 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2OCC[C@H]2COC)n1CC1(O)CCS(=O)(=O)CC1 1301350392 WNOOVRZUKUILQX-SFTDATJTSA-N 490.626 2.134 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N(C)[C@H]1CCCN(c2ccccc2)C1 1301578850 JMUQRSFXCPKZRK-FQEVSTJZSA-N 467.599 2.441 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1OCC(F)(F)F 1301951603 BSFQVIFOJOAXLS-UONOGXRCSA-N 474.509 2.474 30 10 JEEE CC(C)NC(=O)c1nnc(N(CCC#N)CC2CC2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1303346779 AVDFBWIVVCEHIW-SFHVURJKSA-N 466.590 2.215 30 10 JEEE C[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1)N1CCC[C@@H](C)C1 1305027772 ASXPWZNGJPUCOA-MOPGFXCFSA-N 472.615 2.084 30 10 JEEE CCN(CC)C(=O)CCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@H](C#N)C1 1313635634 DMNQWKWUWSLTMO-OAHLLOKOSA-N 464.368 2.413 30 10 JEEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1314556861 AYLINHZJFSXQAJ-KRWDZBQOSA-N 486.520 2.304 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2C[C@H]2CCN(CCC)C2)c1 1358902427 NYZDGXILVBWCHK-FQEVSTJZSA-N 460.586 2.467 30 10 JEEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1CCC=C(C)C)[C@H]1CCS(=O)(=O)C1 1358965520 WQVPMFZTRRPOAL-FQEVSTJZSA-N 452.584 2.500 30 10 JEEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(C(F)(F)F)cc1C 1358969373 NULINWKNSXDZIE-HNNXBMFYSA-N 453.490 2.337 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@H](c1cccs1)N1CCCC1 1359018433 PCBQGTZXHOLVEQ-IBGZPJMESA-N 456.616 2.499 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnccn3)n2C[C@@H]2CCO[C@@H](C)C2)n1 1359027854 YCCXJGXANBWZBE-RBUKOAKNSA-N 450.547 2.033 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2Cc2sc(C)nc2C)CC1 1359031739 NWDKVRLDVRUHOD-UHFFFAOYSA-N 499.666 2.072 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC2(S(C)(=O)=O)CCCC2)CC1 1359039445 JLECTVCJJBQXLV-WOJBJXKFSA-N 477.675 2.309 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1359042150 UMSGGVLNZAWBTN-IBGZPJMESA-N 468.989 2.479 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@H](C)CN(C)C(=O)OC(C)(C)C)CC1 1359043690 DSFQLTLRPLOCHK-GOSISDBHSA-N 496.616 2.204 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCc2cc(C)ccc2OC)CC1 1359043820 KFVXFTBTEUTSFC-UHFFFAOYSA-N 461.570 2.204 30 10 JEEE C#CCSCCn1c(-c2cccn2C)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1359053970 GEHLSURAZAMPDA-KNQAVFIVSA-N 469.659 2.029 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)COC)CC1 1359096253 YQSKOGMYRXAOHC-FXAWDEMLSA-N 460.966 2.270 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](CC(C)C)C1 1359099519 PJFPTVPKTJKCFR-NCYKPQTJSA-N 481.663 2.465 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O)C(C)C 1359266228 WUCIZFRTFQHZFU-HOJNNBGMSA-N 491.702 2.476 30 10 JEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1cccc(F)c1)C[C@@H]1CCCO1 1359287673 PYWNBQAVDOQLBB-VQTJNVASSA-N 479.578 2.122 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCN(C(=O)NCC)CC1 1359294216 OBMMDRDYJDGYIH-MRXNPFEDSA-N 471.631 2.285 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CCO[C@H](c2noc(C)n2)C1 1359295104 QEOVCRKCWUBDSB-INIZCTEOSA-N 488.346 2.279 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCCN(c2nc(CC)ns2)CC1 1359296309 FBLIYAMUTGFZQA-UHFFFAOYSA-N 477.598 2.250 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2(C(=O)N(C)C)CCCC2)C1 1359311853 JRKPBRQSAUTWSV-SFHVURJKSA-N 467.574 2.355 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CCCN1CCCC[C@H]1C 1360677745 GLVNPXVDQHQPOX-MSOLQXFVSA-N 451.641 2.283 30 10 JEEE Cc1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCCN(S(C)(=O)=O)CC2)cn1 1361272097 HZEOWWYFBPHADG-UHFFFAOYSA-N 451.556 2.040 30 10 JEEE CN(C)[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(S(C)(=O)=O)CC1)C1CC1 1503380083 GBNLWMVRLYSTFU-NRFANRHFSA-N 472.615 2.082 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1CCCOC[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 1507630140 UIGFIAXSKGSECU-LEWJYISDSA-N 472.611 2.466 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1CCC1CCC(OC)CC1)[C@@H]1CCS(=O)(=O)C1 1507631333 CTGLYHPPXDNPRD-FUFFSDJGSA-N 450.605 2.004 30 10 JEEE C#CCN(c1nnc(COCC)n1C[C@](C)(O)c1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 1507636825 DRNAXZXNUNDGHH-IERDGZPVSA-N 466.991 2.002 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC(=O)N1CCOCC1 1507670242 ZZNPSZFEZHSGNG-NRFANRHFSA-N 498.628 2.104 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H](C)N2CCC[C@H](C)C2)CC1 1507736734 SMRMIMHYEITVAA-UZINWLIJSA-N 486.661 2.016 30 10 JEEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 1507756347 MVOMJQHWWIQPFK-GGAORHGYSA-N 495.697 2.447 30 10 JEEE C=C(Br)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CC(=O)N(C)C[C@H]1C 1507781726 HCMCUONCGYEWTM-GFCCVEGCSA-N 458.320 2.169 30 10 JEEE C=C(C)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1507830259 ZRZNFSGSWGHYFG-KRWDZBQOSA-N 485.614 2.330 30 10 JEEE C=CCCOCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1507965552 SSTPPRIJDHPBCD-UHFFFAOYSA-N 453.996 2.197 30 10 JEEE C=CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1508048721 WRYCRWZDFXMXDU-UHFFFAOYSA-N 493.540 2.285 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 1508086048 KMUIFNOIQLEUNF-UHFFFAOYSA-N 480.529 2.126 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)CN1C(=O)N[C@](C)(c2ccc(Br)cc2)C1=O 1538571840 JKJSIYAJTHLXMA-ASUYLVSUSA-N 450.333 2.314 30 10 JEEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)Cc2cccc(OC)c2)CC1 1539089201 JNKQPTMDNDCTKL-UHFFFAOYSA-N 487.564 2.239 30 10 JEEE C#CCN(C)c1nnc(-c2ccccc2Br)n1CCCN(C)S(=O)(=O)CC 1539165988 UUBYDLFCJQDFIR-UHFFFAOYSA-N 454.394 2.449 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H]1OCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1539213368 YIQFKKLUUKFYIM-UTKZUKDTSA-N 488.610 2.404 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1CCc1nccc(C(F)(F)F)n1)[C@H]1CCS(=O)(=O)C1 1539216256 PWLNZZFQUHSSQK-INIZCTEOSA-N 491.499 2.018 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccccc1CN(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1539216497 SXPJDOAAEMHAFL-QHCPKHFHSA-N 495.653 2.194 30 10 JEEE C#CCN1CCN(c2nnc(CC(C)C)n2Cc2ccccc2CN2CCC[C@@H]2CO)CC1 1539452325 OXTFGDZDSUVYOA-XMMPIXPASA-N 450.631 2.237 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CC)Cc1ccc2c(c1)OCO2 1539517097 ILSGJDXITWJSRH-QGZVFWFLSA-N 462.597 2.302 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1539517566 POVHXVSQBSOPCT-MSOLQXFVSA-N 497.687 2.240 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2ccccc2CC1 1539616605 ROJHDUIECAGEQV-WMQCIHAUSA-N 459.616 2.475 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(CC(=O)N(C)C)CC1 1539636220 JZYDZJDOCIHIMP-UUOWRZLLSA-N 488.583 2.339 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1539659128 KINLYKVRSAZULJ-QGZVFWFLSA-N 461.588 2.400 30 10 JEEE C=C(C)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1539693797 ZRRSKCSREJWTRT-UHFFFAOYSA-N 491.365 2.350 30 10 JEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1539810668 CTYJUJVUEJACDK-QZTJIDSGSA-N 450.967 2.393 30 10 JEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1540004647 DADUNFGUCGPILF-LEWJYISDSA-N 486.598 2.027 30 10 JEEE C=CCN(c1nnc(-c2cc(Br)cn2C)n1C[C@H]1CCN(S(C)(=O)=O)C1)C1CC1 1540095559 SEDUZUWFRMNICI-AWEZNQCLSA-N 483.436 2.482 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC(Nc2cc(OCC)ncn2)CC1 1540870059 DOUKCCUCKOCJRB-GOSISDBHSA-N 470.578 2.092 30 10 JEEE C=CCOc1ccccc1Cn1c(N2CCN(C)C(=O)[C@@H]2C)nnc1[C@]1(OCC)CCOC1 1540881419 ITNBVTQXMIRADE-UUOWRZLLSA-N 455.559 2.210 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1540907011 JFESMXVXSBZAGZ-UXHICEINSA-N 459.616 2.439 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1540908949 SKJYJYULNCYMAJ-UXHICEINSA-N 497.017 2.496 30 10 JEEE CC(C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@](C)(O)c2ccsc2)CC1 1541703907 CGUSCFCHAYIMFX-VWLOTQADSA-N 493.637 2.433 30 10 JEEE C=CCNS(=O)(=O)c1cccc(C(=O)Nc2ccccc2C(=O)N[C@H]2CC[C@H](O)CC2)c1 1570743474 QJNSRIHOCQCUHG-IYARVYRRSA-N 457.552 2.437 30 10 JEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@H](c1ccc(Cl)cc1)n1cccn1 1587527533 GSAUBKUSWBDEGN-MGPUTAFESA-N 457.943 2.481 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CCCCS1)[C@@H]1CCS(=O)(=O)C1 1588034510 HNHOHLVSPPVHFM-DXIQSLLYSA-N 482.672 2.231 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@H]2CC(F)(F)CO2)CC1 1588907780 GFFUNPOQZFTMGC-LJQANCHMSA-N 459.497 2.344 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCC(=O)Nc2ccccc2)CC1 1588969194 WWHXGXGIRPHJSN-HXUWFJFHSA-N 450.543 2.124 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N(C)CCNS(=O)(=O)c1ccc(C)cc1 1589528453 GKARSDABYIUIJN-SIKLNZKXSA-N 499.641 2.383 30 10 JEEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 1594807437 OVJSCYZSQQJOEC-IBGZPJMESA-N 456.547 2.122 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 1595537640 UYBISVBQKQENTM-WIYYLYMNSA-N 472.977 2.135 30 10 JEEE CN(C)C(=O)CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCN2CCCO)CC1 1617575200 GUKHRBPEGSDQAV-QHCPKHFHSA-N 479.629 2.358 30 10 JEEE C#CCNC(=O)CN1CCN(C(=O)c2cc(COc3ccc(Cl)cc3Cl)on2)CC1 1640201375 DPBWDHAQYVQKSB-UHFFFAOYSA-N 451.310 2.068 30 10 JEEE C=CCn1c(SCCOC2CC2)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 1640709441 FJZNQZOQLVYSMI-UHFFFAOYSA-N 450.586 2.423 30 10 JEEE C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)NCC[C@](O)(c2nccn2C)C(F)(F)F)cc1 1670762347 FOMICEWCTMMFRN-PXAZEXFGSA-N 459.450 2.068 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H](C)N(C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1689992965 RTUOAYGGPUNLLR-OFNKIYASSA-N 478.622 2.416 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1Cc1ccccc1COC)[C@H]1CCS(=O)(=O)C1 1689994153 SGNOJOXBGQIHBR-NRFANRHFSA-N 485.635 2.455 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H]1CCCOC1 1690101118 ORROLBWBSKXXQM-GOSISDBHSA-N 450.543 2.188 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@](C)(O)c1ccsc1 1690101311 WQALTDQMGMHBCG-XMMPIXPASA-N 478.578 2.247 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCOC(C)(C)C)CC1 1690139532 QNHBUPJZHVRXGJ-UHFFFAOYSA-N 487.626 2.130 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2Cc2ccc(F)cn2)CC1 1690150639 OXCNNWKSZLKSJO-UHFFFAOYSA-N 462.529 2.448 30 10 JEEE C=CCCCn1c(-c2noc3c2COCC3)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1690482077 YISAEOOJNJHUHT-UHFFFAOYSA-N 464.592 2.222 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)C(C)C 1690565805 TXMBANBXBUGHQT-NFBKMPQASA-N 477.631 2.211 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(c2ccc(C(C)=O)cc2F)CC1 1690667901 LRQIANOOUVJEFN-UHFFFAOYSA-N 463.517 2.311 30 10 JEEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(Cl)=C(Cl)C1 1690674987 MKPVBSWITXGPNL-UHFFFAOYSA-N 455.371 2.471 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CC[C@H]2OCCC[C@H]2C1 1690725524 SWQIGSDZLNQJFW-PZJWPPBQSA-N 460.600 2.484 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1690725530 TUPHPXJHYHMMOD-IUKKYPGJSA-N 478.590 2.382 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCCN(CCC)C(=O)C1 1690726800 LTISMUBNHJCHFM-UHFFFAOYSA-N 484.626 2.400 30 10 JEEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCN(c2cc(F)cc(F)c2)CC1 1690729117 GYPLWTRIBMBVJY-UHFFFAOYSA-N 455.531 2.020 30 10 JEEE CC(C)(C)Cc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CC1(C(N)=O)CCOCC1 1691176257 FKYCZFUKGZWCBO-UHFFFAOYSA-N 483.592 2.486 30 10 JEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCc1c(C)noc1C 1705574785 NFYQOLKWDQJFOC-UHFFFAOYSA-N 465.583 2.467 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCCc2ccc(OC)cc2)CC1 1705635267 VJCOLVKYOCPKIQ-RUZDIDTESA-N 453.587 2.327 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2Cc2cccnc2OC)CC1 1705648929 DKAPLOVYCRWJPV-UHFFFAOYSA-N 460.538 2.371 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@H](C(=O)NC)C1 1705700971 AXQCZCSZHPWMTP-JJXUHFIVSA-N 461.513 2.080 30 10 JEEE C=C(C)COCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC(C)(OC)C1 1705736784 CKSINVZNZCQQMI-KRWDZBQOSA-N 451.568 2.404 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@H](C)O[C@@H](C)C1 1705928133 LTFNJWPJHPWCMU-ROUUACIJSA-N 461.588 2.362 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(COC)CC1 1705936669 WDIOGTNEQNJHHF-FQEVSTJZSA-N 462.572 2.254 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1705938079 MJIPSBWWQNFVNX-PMACEKPBSA-N 473.599 2.014 30 10 JEEE COc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCS(=O)(=O)CC2CC2)cc1OC 1711756255 CCHQUXYRNPYFER-NRFANRHFSA-N 463.535 2.229 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1ccccc1)C[C@@H]1CCCO1 1722333889 ZULQZCYYAGESPI-VXKWHMMOSA-N 487.626 2.210 30 10 JEEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H](c1ccc(C)cc1)N1CCOCC1 1722357562 JCEOTAHKQQRHJV-ZRBLBEILSA-N 453.587 2.453 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1ccccc1)C1CC1 1722414095 VNXOHMXEWVLXMW-RTWAWAEBSA-N 457.600 2.264 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CC2CCN(CC(F)(F)F)CC2)CC1 1722447852 NWCGIQVETVSUBO-HXUWFJFHSA-N 496.578 2.412 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@H]2CCO[C@@H]2C(C)C)CC1 1722448593 FBXPUZPVHPXLON-FYYLOGMGSA-N 450.587 2.291 30 10 JEEE C=C(Br)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCO[C@H](COC)C1 1722482505 AYNHKYSIHTZFPU-HNNXBMFYSA-N 489.374 2.435 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@H](CNC(C)=O)C1 1722511334 YCYZGWSTXHMDQO-IXFSTUDKSA-N 475.540 2.470 30 10 JEEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1722524266 XLGHSTNVXZFBEO-RTBURBONSA-N 462.595 2.467 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)C[C@H]1c1cccc(OC)c1 1722728145 UMLAHKDOPCUMHM-UXPWSPDFSA-N 473.599 2.426 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCC(Cn2ccnn2)CC1 1722729393 JPMOFJZVOFIDOU-UHFFFAOYSA-N 473.578 2.117 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1C[C@H](C2CC2)O[C@H](C)C1 1722729446 KVGBOWTXCNXOSS-RDTXWAMCSA-N 451.618 2.238 30 10 JEEE C[C@@]1(C#N)CCCN(c2nnc(COc3ccc(F)cc3)n2CCN2CCCS2(=O)=O)C1 1724014342 ATVZEYADRLJEPA-NRFANRHFSA-N 462.551 2.162 30 10 JEEE Cc1cc(C)n(CCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)Cc2cccc(C#N)c2)n1 1726208695 AAIIWAGCUZNUNI-GOSISDBHSA-N 470.603 2.300 30 10 JEEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC1([S@@](C)=O)CC1 1740561215 YXDBAMALFGPYSK-MQFAKOPTSA-N 454.644 2.012 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cn3nc(C)cc3C)n2C[C@H]2NC(=O)CC2(C)C)c1 1740564886 AVCINLOXYXDCKF-OAQYLSRUSA-N 488.596 2.111 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@](C)(O)CC)c1 1740564967 DZOROVGEQCKHMO-XZOYJPPVSA-N 455.559 2.219 30 10 JEEE C#CCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1740572671 SDUFQDZBRKZQBW-JOCHJYFZSA-N 482.610 2.251 30 10 JEEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1740577406 CFFGMAGVNUUTKW-KRWDZBQOSA-N 455.588 2.113 30 10 JEEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1Cc1ccccc1S(=O)(=O)N(C)C 1740602706 ZKORFIVGFXMVOU-UHFFFAOYSA-N 491.415 2.414 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1740636398 YXMAQZCPCJTZQD-HXUWFJFHSA-N 485.610 2.238 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCCNC(=O)C(C)C)CC1 1740690414 UFUZCHCKTYXFNH-UHFFFAOYSA-N 465.602 2.065 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3)n2CCOCCN(C)C)CC1 1740699013 YCCZSFBGVRNJAA-UHFFFAOYSA-N 461.408 2.041 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(Br)cc3)n2Cc2cc(C)nn2C)CC1 1740699444 HELUQVSGDLUEGY-UHFFFAOYSA-N 484.402 2.465 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(S(C)(=O)=O)CC1 1740754980 HSNXPOOCSXPDEP-DYESRHJHSA-N 491.614 2.025 30 10 JEEE C=C(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(S(C)(=O)=O)CC1 1740786123 QSFKQVMUKTUYHP-INIZCTEOSA-N 454.597 2.008 30 10 JEEE C=C(Cl)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](CN2CCOCC2)C1 1740823133 YDADAVUOWZFOMV-RTBURBONSA-N 497.040 2.498 30 10 JEEE C=CCCCCn1c(-c2noc3c2COCC3)nnc1N1CCC(CNS(C)(=O)=O)CC1 1740862380 QPIACKZOVAHJDY-UHFFFAOYSA-N 464.592 2.128 30 10 JEEE C=CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@H](CNC(C)=O)C1 1740864343 LYIKNJODRIPAFC-OAQYLSRUSA-N 468.606 2.150 30 10 JEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](OC)c1ccc(F)cc1)C1CC1 1740911048 VUFNSNOAMBCKNX-VQTJNVASSA-N 479.578 2.293 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1740955551 XOQAVAKBSWWIBQ-UHFFFAOYSA-N 484.601 2.349 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCOC2CCCCCC2)C1 1740981422 OSHHMVBKGODUJO-SFTDATJTSA-N 497.662 2.132 30 10 JEEE Cc1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](CN(C)S(C)(=O)=O)C2)no1 1742128123 DLWKBZDPFZLCCB-GOSISDBHSA-N 469.571 2.269 30 10 JEEE C[C@@H]1C[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(NS(C)(=O)=O)CC2)CCO1 1742962085 GUYLGAWQVNCARR-IEBWSBKVSA-N 488.614 2.062 30 10 JEEE CN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CCC(=O)N1CCCCCC1 1747994929 AKUGMYFVPKIMCW-UHFFFAOYSA-N 458.588 2.090 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1(C(=O)NCC)CCC1 1748666008 YVBJTPWZSYFJJP-INIZCTEOSA-N 457.604 2.003 30 10 JEEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCS(=O)(=O)C(C)(C)C 1748766118 GDBZIKWCASMIAF-UHFFFAOYSA-N 451.980 2.144 30 10 JEEE C#CCN(c1nnc(-c2cc(C)nc3ccccc23)n1C[C@H](COC)OC)[C@@H]1CCS(=O)(=O)C1 1748803881 ASNAJEJDMOAXKY-RTBURBONSA-N 483.594 2.090 30 10 JEEE C#CCN(c1nnc(COCC)n1Cc1cc(-c2ccccc2)no1)[C@@H]1CCS(=O)(=O)C1 1748825325 XQKAKISVOBHJDZ-GOSISDBHSA-N 455.540 2.145 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1748918688 NGXNAADVCLWVDT-SFTDATJTSA-N 452.584 2.480 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@@H]2CCCN2CCCO)CC1 1749006137 JHEQPAKIEOWCCB-DEOSSOPVSA-N 478.641 2.320 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Cl)n2CC2(O)CC(OCC)C2)CC1 1749010645 OPGZPSZVFIJJKR-UHFFFAOYSA-N 471.989 2.494 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC)n2Cc2ccc(N3CCSCC3)cc2)CC1 1749015519 XWAGTXDEOXIGIP-UHFFFAOYSA-N 452.628 2.408 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(OC)cc2F)CC1 1749016068 YKPGKPIWDXMOBW-UHFFFAOYSA-N 479.560 2.302 30 10 JEEE C#CCSCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[C@H](NC(C)=O)C1 1749024394 PDASPNMEIIWIPP-SFHVURJKSA-N 473.599 2.442 30 10 JEEE C#CCSCCn1c(CC(C)C)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1749037360 BQIBGNIYJLCUCP-OYRHEFFESA-N 460.692 2.470 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)COC)CC1 1749134025 TUEOIAMASMBDGJ-XUZZJYLKSA-N 453.587 2.454 30 10 JEEE C=C(C)COCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](C(=O)OC)C1 1749228798 CWASKGCHJCXIJB-QZTJIDSGSA-N 479.578 2.179 30 10 JEEE C=CCCOCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](C(N)=O)C1 1749457112 ODTYBYWOIKLJQL-QZTJIDSGSA-N 462.595 2.297 30 10 JEEE C=CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1CCNC(=O)c1cc[nH]n1 1749472046 YXKJOZHBFFNYRL-UHFFFAOYSA-N 460.336 2.492 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H](C)N2CCOCC2)C1 1749701794 YSWDBWRRUCGPMT-AZUAARDMSA-N 457.575 2.464 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCCN2CCC[C@H](C)C2)C1 1749713252 QPTMMQNMCKCFHC-PWRODBHTSA-N 465.664 2.474 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@@H](C(=O)NC)C1 1749738518 OHKAHXMXHQHFPF-LJQANCHMSA-N 475.615 2.037 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCOC2)n1CC1CCS(=O)(=O)CC1 1749806002 DOVWJSQGDMNBFJ-NRFANRHFSA-N 473.599 2.131 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1CCO[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1760182206 CBQIWOCETYZUGC-NSHGMRRFSA-N 488.610 2.404 30 10 JEEE C#CCN(c1nnc(C(C)C)n1Cc1ccnc(OC2CCOCC2)c1)[C@H]1CCS(=O)(=O)C1 1760184693 YBHKSAZELLRANV-IBGZPJMESA-N 473.599 2.029 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1Cc1cccc(C(=O)N[C@@H](C)CC)c1)[C@H]1CCS(=O)(=O)C1 1760189274 HAVDTIBWPSSLJF-AVRDEDQJSA-N 483.638 2.434 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc(Cl)c(OC)c1 1760210575 TZLVCMAEZDCKNO-INIZCTEOSA-N 463.991 2.256 30 10 JEEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CN(CC(C)C)CCO1 1760225988 FXUSHSQXPWAWLX-FQEVSTJZSA-N 487.674 2.363 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCCN(CCC)C(=O)C1 1760313315 LZVVAGICYQYOPF-WIYYLYMNSA-N 467.574 2.355 30 10 JEEE C=CCC(C)(C)Cn1c(-c2noc3c2COCC3)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1760411072 BHBMBPOBXHKHAS-HNNXBMFYSA-N 464.592 2.126 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1C[C@@H](C)[C@@H](C)C1 1760553300 AGYSMZPLFGOCHP-CALCHBBNSA-N 470.599 2.368 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCCN(C(C)(C)C)CC2)nnc1[C@]1(OC(C)C)CCOC1 1760557954 BEFXESXXXSNKIJ-QHCPKHFHSA-N 483.679 2.230 30 10 JEEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1760562273 CYBRKCPCCCFPNN-UHFFFAOYSA-N 453.572 2.266 30 10 JEEE COCCN(C)CCn1c(Cc2cccnc2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1769792744 BBBXTPKDCDIWIR-UHFFFAOYSA-N 478.576 2.179 30 10 JEEE N#Cc1ccc(OCc2nnc(N3CCC[C@@H]3[C@H]3CCCO3)n2CC(=O)NCC(F)F)cc1 1771534584 HGUIYRMDRCRZEN-QZTJIDSGSA-N 460.485 2.258 30 10 JEEE COc1ccc2nc(N3CCN(S(=O)(=O)c4ccc5c(c4)CC(=O)N5C)CC3)c(C#N)cc2c1 1857959646 KTXNHRUJHCGOLJ-UHFFFAOYSA-N 477.546 2.145 30 10 JEEE N#Cc1ccc(NC(=O)c2nc(C(=O)N3CCN(c4ncccn4)CC3)n3ccccc23)cc1 1858245282 UQNANYBWQBRTTK-UHFFFAOYSA-N 452.478 2.211 30 10 JEEE CC(=O)Oc1ccc(C[C@@H](NC(=O)CC[C@@H]2CCS(=O)(=O)C2)C(=O)Nc2ccc(C#N)cc2)cc1 1866928804 HGYVDTAZFWDLIW-NFBKMPQASA-N 497.573 2.364 30 10 JEEE CN1C(=O)c2ccc(-n3nnc(C#N)c3NS(=O)(=O)c3ccc(Cl)c(Cl)c3)cc2C1=O 1870099684 RYJJISPHJYFDNU-UHFFFAOYSA-N 477.289 2.472 30 10 JEEE CCOC(=O)c1ccc(N2C[C@@H](C(=O)Nc3c(C#N)nnn3-c3cccc(F)c3)CC2=O)cc1 1870151363 UKPXALGJKLNDEM-HNNXBMFYSA-N 462.441 2.446 30 10 JEEE C=CCn1cc(OCC(=O)Nc2ccc3c(c2)OCO3)c(=O)cc1CN1CCN(C(=O)OCC)CC1 1870434342 JCYQDKXGKGFZJA-UHFFFAOYSA-N 498.536 2.055 30 10 JEEE C=CCn1c(C(=O)NCCN(CC)CC)cc2c(N3CCN(c4ccccn4)CC3)ncnc21 1873593235 JZRMPVHBZHKJBK-UHFFFAOYSA-N 462.602 2.411 30 10 JEEE Cc1c(C(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)nnn1-c1ccc(Cl)cc1 1889579101 IBHKYJWILYZYRU-UHFFFAOYSA-N 471.005 2.101 30 10 JEEE CCN1CCN(CC#CCOC2CCN(S(=O)(=O)c3ccc(C)c(Cl)c3)CC2)CC1 1889671559 ABVAQCFZKHEWOR-UHFFFAOYSA-N 454.036 2.459 30 10 JEEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)N(C)C3CN(c4ccc5nnc(C)n5n4)C3)n[nH]2)c1C 1890309819 GCXZDOAQPSMRDB-UHFFFAOYSA-N 460.546 2.173 30 10 JEEE CCN1CCN(CC#CCOC2CCN(C(=O)C3CCN(C(=O)c4ccccc4)CC3)CC2)CC1 1890565133 SPIIQWRNSXRUMQ-UHFFFAOYSA-N 480.653 2.187 30 10 JEEE CC(C)N1C(=O)CS[C@H](C(=O)N2CCC(N3CC[C@H](O)C3)CC2)[C@@H]1c1ccc(C#N)cc1 1892014762 CBEDQXXANIGIDQ-PMVMPFDFSA-N 456.612 2.009 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H]1NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2247952993 RAWPSLZAQNKCJL-OCCSQVGLSA-N 458.411 2.239 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)[C@@H](CO)C1 2255810243 AWCVTXYWKRLDDD-CQSZACIVSA-N 452.382 2.101 30 10 JEEE C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc(B2OC(C)(C)C(C)(C)O2)ccc1Cl 2256622759 LJRLXJFKDSLHII-SMDDNHRTSA-N 455.748 2.247 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)CC1 2256623054 PDIGNZAJHWTDGD-JOCQHMNTSA-N 452.386 2.281 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)Nc1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)n1 2256674116 XUAACOHIWTYAKR-ZDUSSCGKSA-N 455.748 2.248 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@H]1NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2267151637 ZGRMDVIAOQTURK-HUUCEWRRSA-N 467.759 2.056 30 10 JEEE Cc1nc(S(=O)(=O)Nc2cnn(Cc3ccccc3)c2)c(B2OC(C)(C)C(C)(C)O2)n1C 2267410715 NUZBVEQJFSBJSZ-UHFFFAOYSA-N 457.365 2.073 30 10 JEEE CC(C)(C)OC(=O)NCC1(C(=O)NCc2sccc2B2OC(C)(C)C(C)(C)O2)CC(O)C1 2268721743 PMVRDBBGLVCMTO-UHFFFAOYSA-N 466.409 2.329 30 10 JEEE Cc1csc(CNC(=O)CN(C)CCNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2268724104 HKSVETBBGXZJAS-UHFFFAOYSA-N 467.441 2.428 30 10 JEEE CC1(C)OB(c2ccc(C(=O)NC[C@@H]3CNCCN3Cc3ccccc3)c(F)c2)OC1(C)C 2281758096 GGOUDPVFIWHYGW-FQEVSTJZSA-N 453.367 2.329 30 10 JEEE Cn1cc(C(=O)NCCCCC2CN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2281974096 CYHRFVJRGUYAMJ-UHFFFAOYSA-N 462.400 2.486 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1COC[C@H]1NC(=O)c1cc(F)ccc1B1OC(C)(C)C(C)(C)O1 2282406900 QFAGVGSBYOQUJY-RDTXWAMCSA-N 464.343 2.394 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(F)c(B3OC(C)(C)C(C)(C)O3)c2)C[C@@H](O)C1 2282477447 PXLIOERCNAIWKK-MRXNPFEDSA-N 464.343 2.179 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C 2282536488 CYEPPAMZRGMFIM-GFCCVEGCSA-N 476.305 2.295 30 10 JEEE Cn1cc(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 2282544041 RCPACQYDCUVLIP-UAGQMJEPSA-N 460.384 2.237 30 10 JEEE C[C@@H](NC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 2282546913 NGMXZIATUBOFLF-HZPDHXFCSA-N 462.400 2.485 30 10 JEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)N(C(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C1 2282551664 LHPIFLFWEIEOBH-JKSUJKDBSA-N 462.400 2.437 30 10 JEEE CCc1nn(C)c(C(=O)N[C@@H](C)C2CN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2282558897 FUSVRSHUMPSYBP-AWEZNQCLSA-N 462.400 2.267 30 10 JEEE C[C@@H]1C[C@@H](NC(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)CCN(C(=O)OC(C)(C)C)C1 2282588884 JHOMHYROUPMZFL-CVEARBPZSA-N 462.400 2.485 30 10 JEEE Cc1c(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H](C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282596970 DTGWYXIVJYRGQR-OAHLLOKOSA-N 462.400 2.357 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@H]2NS(=O)(=O)Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2282844480 DLDMVALYXTVRLL-NEWSRXKRSA-N 478.420 2.413 30 10 JEEE CC1(C)OB(c2ccsc2S(=O)(=O)N[C@@]2(C(=O)O)CCN(Cc3ccccc3)C2)OC1(C)C 2284401087 DNIAPQJMVNJMJW-QFIPXVFZSA-N 492.428 2.055 30 10 JEEE CCc1nn(C)c(C(=O)N[C@@H]2[C@@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)c1B1OC(C)(C)C(C)(C)O1 2359267994 NSQPIINQKZCRHG-FRFSOERESA-N 460.384 2.019 30 10 JEEE C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(OC)cc2)S/C1=N\c1ccc(S(N)(=O)=O)cc1 101694716 STVQECJDDFDOJU-GOTYSUTNSA-N 474.564 2.489 30 10 JEEE CCN1C(=O)[C@@]2(/C(=C(/O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCCOC)c2ccccc21 102550139 MVQZQRVXTDJHAS-RFJJORBGSA-N 478.501 2.437 30 10 JEEE N#CCC(=O)Nc1ccccc1CNC(=O)CN1C(=O)c2ccc(Br)cc2C1=O 219699226 KXBBNIFBZDVVLP-UHFFFAOYSA-N 455.268 2.214 30 10 JEEE C=CCNC(=O)CN1CCN(C(=O)[C@H]2CC(=O)N(c3ccc4c(c3)Cc3ccccc3-4)C2)CC1 512713436 BDWYYUFQCVDINH-NRFANRHFSA-N 458.562 2.057 30 10 JEEE C=CCNC(=O)CN1CCN(C(=O)[C@H]2CCC(=O)N(CCCC)[C@H]2c2ccccc2OC)CC1 512718326 LZUGIJJTYFGBPN-OFVILXPXSA-N 470.614 2.221 30 10 JEEE CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2C)c(=O)n1Cc1ccccc1 523465359 GQQAGTSHQLCOJB-UHFFFAOYSA-N 479.577 2.452 30 10 JEEE N#Cc1cn(-c2cc(I)cc(I)c2)c(=O)nc1O 690348705 LYKJNILEPOCIBU-UHFFFAOYSA-N 464.988 2.019 30 10 JEEE COC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1OS(=O)(=O)c1ccc(F)c(C#N)c1 728581420 IHSRDJXZZWAJTQ-UHFFFAOYSA-N 468.484 2.036 30 10 JEEE COC(=O)c1ccc(C=NNc2nc(SCC(=O)Nc3ccc4c(c3)OCO4)n[nH]2)cc1 1083949725 HISKVDZNFAUVIG-UHFFFAOYSA-N 454.468 2.497 30 10 JEEE Cc1nn(CCO)c(C)c1C=NNc1nc(SCC(=O)NCCc2ccccc2Cl)n[nH]1 1084008254 XCHDCXBOBBDLHT-UHFFFAOYSA-N 476.994 2.161 30 10 JEEE C=CCOC[C@H](NC(=O)CSCc1nc(O)c2c3c(sc2n1)CCCC3)C(=O)OC 1139175985 OZNPSFFPNGBYPB-ZDUSSCGKSA-N 451.570 2.369 30 10 JEEE C#CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccc(N2CCOCC2)nc1 1286365053 QATQAIJLANBGPP-UHFFFAOYSA-N 456.348 2.385 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CCNC(=O)c1ccc(C)cc1 1286426570 ZNULRIUTNBGOTL-UHFFFAOYSA-N 458.522 2.207 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H](c2ccccc2)N2CCOCC2)CC1 1286469207 BTELVSWTBRHQLU-XMMPIXPASA-N 493.656 2.025 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CC(=O)N1CCOCC1 1286565252 ZPFUBJAQLFUQOL-KRXUUXHPSA-N 475.634 2.473 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCSC2(CCOCC2)C1 1286671918 BPIGZDGWLNSWMC-SFHVURJKSA-N 499.703 2.316 30 10 JEEE C=CCN(CCc1ccco1)c1nnc(-c2cc(Br)c[nH]2)n1Cc1nnn(C)n1 1286763760 SKDSTXLZVYNCQA-UHFFFAOYSA-N 458.324 2.436 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@@H](Oc2ccccn2)C1 1286780262 SEYCZXMPMPPRBK-GOSISDBHSA-N 464.526 2.317 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@H](CNC(C)=O)C1 1286782007 HIQCRVYAMLWOBD-MRXNPFEDSA-N 475.391 2.362 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1286816949 OHKHEVASDKZUHB-IXDOHACOSA-N 451.980 2.456 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc(COc2ccc(Br)cc2)n1C[C@@]1(O)CCN(C)C1 1286969309 FTLLNPUVPARKCH-MGPUTAFESA-N 463.380 2.282 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1CCN1CCN(Cc2ccccc2)CC1)[C@H]1CCS(=O)(=O)C1 1300481625 AUZZCTBFIQSSLO-QHCPKHFHSA-N 498.697 2.020 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cc(Br)cn3C)n2CC2(O)CC2)n1 1300675416 BJKGRQLJOIXDPM-UHFFFAOYSA-N 488.390 2.054 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@H]2CC=CCO2)CC1 1300730633 DEUCKEMGEAHFOE-QFIPXVFZSA-N 465.554 2.177 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1300868291 CWPGPKMLVGNGFR-HQRMLTQVSA-N 490.586 2.305 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1)C(C)C 1301367528 PQUFMFAEEBCKPP-NNWRFLSQSA-N 466.634 2.434 30 10 JEEE C=CCn1c(Cc2csc(C)n2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1301462969 GOEUEXAYCLIBJN-UHFFFAOYSA-N 465.630 2.096 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCC[C@@H](C(=O)OC)C1 1301492342 FTEITMGIEBNBKY-OAHLLOKOSA-N 492.374 2.408 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCS(=O)(=O)CC=C)C1 1301547382 ZEEGYMMMGGWBKR-GOSISDBHSA-N 460.556 2.098 30 10 JEEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1301594464 CZYLBWQUPUZCBB-QZTJIDSGSA-N 457.604 2.002 30 10 JEEE CC(=O)NC[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCCCC2=O)C1 1301871004 CDWQPBACBDKEIO-JOCHJYFZSA-N 493.612 2.484 30 10 JEEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2cccn(Cc3cccc(OC)n3)c2=O)cc1 1305609125 AJIMSCCXEWMXKV-UHFFFAOYSA-N 454.508 2.017 30 10 JEEE C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCN(Cc2nnnn2-c2ccccc2)CC1 1307553125 FSCONEHLYBVWBZ-INIZCTEOSA-N 450.934 2.332 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1358897052 SAFSQISMWGVJPV-SJLPKXTDSA-N 453.513 2.251 30 10 JEEE C#CCN(C)c1nnc(COc2ccccc2F)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1358954027 SDEWDPMWAVXAOH-HKUYNNGSSA-N 461.563 2.270 30 10 JEEE C#CCN(c1nnc(COc2cc(C)ccc2C(C)C)n1CC1(O)CC1)[C@@H]1CCS(=O)(=O)C1 1358965747 AJPAYLDQSGHUIH-LJQANCHMSA-N 472.611 2.441 30 10 JEEE C#CCN(c1nnc(CN2CCCC2=O)n1CC[C@@H](C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1358966659 TVFWFAHASHADAZ-TZIWHRDSSA-N 469.611 2.221 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1Cc1csc(COC)n1 1359021483 QKUNFIUAAVVQOK-UHFFFAOYSA-N 455.540 2.454 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1359098506 BQOUSAVFJMCAMH-JTHBVZDNSA-N 486.661 2.398 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1359293014 DKBRJRNBWNIOBB-FQEVSTJZSA-N 494.415 2.025 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CC[C@](O)(Cc2cccc(Cl)c2)C1 1359302284 BICGOJLRLZJLBK-DEOSSOPVSA-N 466.973 2.403 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl 1359326545 CIZNZNZRPZIOHY-KBXCAEBGSA-N 476.430 2.135 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCN([C@@H](C)c2nccs2)CC1 1359333786 JXKCPDWJTFOGEM-SFHVURJKSA-N 487.655 2.204 30 10 JEEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCCN2CCC[C@H]2CO)[C@@H](C)C1 1359385427 AFLUMNCHJOMQKR-CVDCTZTESA-N 465.602 2.111 30 10 JEEE COc1cc(CNC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)cc(Cl)c1OC 1457373369 DHCJFNAFYZHURY-LBPRGKRZSA-N 451.932 2.491 30 10 JEEE CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N(O)Cc3ccccc3Cl)c2)CC1 1458000560 BMVZWWNHSWNWDW-UHFFFAOYSA-N 451.932 2.224 30 10 JEEE Cc1cc(NC(=O)NCc2cn(C)nc2-c2ccc(C#N)cc2)n([C@H]2CCS(=O)(=O)C2)n1 1465064353 DIEDJAKTPDUYTP-SFHVURJKSA-N 453.528 2.145 30 10 JEEE Cc1cccnc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1492604751 DFJMIFZWGWJNJE-UHFFFAOYSA-N 465.583 2.429 30 10 JEEE CCN(CC)C(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCOC[C@@H]2OC)CC1 1501789806 DMVJGTUICYUXHP-VXKWHMMOSA-N 481.601 2.452 30 10 JEEE CCNC(=O)C(C)(C)Cn1c(C2CCC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1502381233 FZHWELPTRHXXHE-INIZCTEOSA-N 451.579 2.085 30 10 JEEE CO[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1)C(C)C 1504001782 FJVFZKUATAUSOO-PMACEKPBSA-N 461.588 2.413 30 10 JEEE COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1c(F)cccc1SC 1504887589 CNQWNHMCNYVJCP-HNNXBMFYSA-N 467.592 2.456 30 10 JEEE C#CCCCCn1c(Cc2ccccc2OC)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1507565475 CDMREAPEBCGPHT-RUZDIDTESA-N 464.570 2.496 30 10 JEEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](C(=O)OC)C1 1507588701 PKUCYWVZNAYJDJ-MSOLQXFVSA-N 461.563 2.389 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC[C@@H](C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1507623129 OVLDEJUAFXNMJM-QUCCMNQESA-N 457.600 2.237 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1CCCc1nnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1507633799 HXNMGHBPVQSNHA-MRXNPFEDSA-N 450.634 2.286 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCNC(=O)C2CC2)CC1 1507739842 GCRHXCPKILMGJJ-UHFFFAOYSA-N 484.988 2.003 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1CCCC1 1507800341 VAUNBPZCQDYCME-UFYCRDLUSA-N 467.636 2.219 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1C[C@@]1(O)CCO[C@@H]1C 1507996918 MGVOFYMQHBXDOR-KOSHJBKYSA-N 450.543 2.118 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC(=O)NC(C)(C)C 1508031802 AGJLHVZGUFCBJS-QGZVFWFLSA-N 463.604 2.313 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCN(CC(F)(F)F)C2)C1 1508131290 LQMJZMUCCKJVMR-SJORKVTESA-N 456.513 2.066 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@H](C)N1CCc2ccccc2C1 1510192508 BWSRTUHAMSYHPE-AXHZCLLHSA-N 485.658 2.465 30 10 JEEE Cc1csc(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@@H](C)CS(C)(=O)=O)n1 1511474317 FAUFHVHEYGIYLS-HNNXBMFYSA-N 460.585 2.411 30 10 JEEE Cc1nn(C)c(N2CCN(c3nnc(C(C)(C)C)n3CC3(C(=O)N(C)C)CCCC3)CC2)c1C#N 1511663393 FXVKHLRVZWVXGJ-UHFFFAOYSA-N 481.649 2.464 30 10 JEEE C#CC[C@@H](NC(=O)c1ccc(F)c(S(=O)(=O)N2CCN(C(C)=O)CC2)c1)c1ccccc1 1526258958 VHJITGSKVGYEGE-OAQYLSRUSA-N 457.527 2.173 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1538974165 SLQQRPRPYFHTRK-QAPCUYQASA-N 476.423 2.436 30 10 JEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2OC)CC1 1539072876 XTAIEFAZWSTQDY-IBGZPJMESA-N 457.600 2.319 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1Cc1cc(C)on1)[C@H]1CCS(=O)(=O)C1 1539201605 ATDFNUGMYVYWAE-FQEVSTJZSA-N 482.566 2.119 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@H](C)c1nc(C)cs1)[C@@H]1CCS(=O)(=O)C1 1539224474 HKQCHJDDKGKUHY-QFBILLFUSA-N 470.624 2.459 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCN2C[C@@H](C)C[C@@H](C)C2)CC1 1539428447 RMIHYLBJOJROSQ-OYRHEFFESA-N 464.618 2.049 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCc2cccc(OC)c2)CC1 1539429687 BMJLBEJQZMDYJG-VWLOTQADSA-N 453.587 2.325 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(CN(C)CC)c1 1539538087 BQMSDVNARUGLDV-FDDCHVKYSA-N 458.632 2.380 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCS(=O)(=O)C1 1540147096 NHIITWPQJNWUQP-DLBZAZTESA-N 484.669 2.259 30 10 JEEE Cc1cn(-c2ccc(F)cc2)nc1C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1540728319 CAJAGOQCOLERTR-UHFFFAOYSA-N 453.499 2.338 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1540866680 WNVGXNKAHJUWBP-UHFFFAOYSA-N 482.976 2.334 30 10 JEEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCCC[C@H](COC)C1 1540869460 OANUZVVWNWJMCW-INIZCTEOSA-N 451.531 2.149 30 10 JEEE C=CCNC(=O)Cn1c(N2C[C@H](C)O[C@@H](c3ccsc3)C2)nnc1[C@]1(OCC)CCOC1 1540876690 YHXVQBYKRDSNPM-CECAUBDESA-N 461.588 2.260 30 10 JEEE Cc1nn(C)c(N2CCN(c3nnc(C)n3CC3CCN(CC(F)(F)F)CC3)CC2)c1C#N 1543001863 FUESUACIMBAARI-UHFFFAOYSA-N 465.528 2.101 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCNC(=O)c1cccc(OC)c1 1545877365 ALGFVVFFGJCTFV-HSZRJFAPSA-N 471.537 2.077 30 10 JEEE N#Cc1ccc(N2CCC3(CC2)CN(C(=O)c2ccncn2)C[C@@H]3C(N)=O)cc1C(F)(F)F 1548375208 FSDRKZFEZPOFJS-QGZVFWFLSA-N 458.444 2.211 30 10 JEEE N#Cc1ccc(N2CCC3(CC2)CN(C(=O)c2ccc(O)nn2)C[C@@H]3CO)cc1C(F)(F)F 1548402628 NYWYIIXVYDYMIY-OAHLLOKOSA-N 461.444 2.424 30 10 JEEE CN(C)[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1)c1ccco1 1552794746 IAFBKVSHNXQDOY-VQTJNVASSA-N 484.582 2.248 30 10 JEEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CC[C@@](F)(C#N)C3)n2CCc2ccc(Cl)s2)C1 1555812336 DDTKDCBNBXQALA-RDTXWAMCSA-N 488.998 2.011 30 10 JEEE CC(C)CNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 1567507396 FAZFIRHLHNPVEJ-NRFANRHFSA-N 454.552 2.418 30 10 JEEE C#CCCCCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1587770269 XNTSDUGIKZMEAW-QFIPXVFZSA-N 489.617 2.442 30 10 JEEE C#CCN(C)c1nnc(COc2ccccc2F)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1588020532 QMARSQANFPRHFK-ROUUACIJSA-N 455.513 2.412 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H](CC)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1588045887 SNCLIZAJMHYXAZ-FGZHOGPDSA-N 466.611 2.318 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@]1(C)COCCO1 1588628189 FPXCAYDDWYJZBA-VWLOTQADSA-N 480.569 2.127 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@H]2CCCN2CCCO)CC1 1588779743 BFDJOWDEZXYDAN-IBGZPJMESA-N 460.985 2.340 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H](c2cccc(OC)c2)N(C)C)CC1 1588930254 QZBRKIWURGSZES-GMAHTHKFSA-N 480.613 2.059 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2Cc2csc([C@H](C)OC)n2)CC1 1588930492 XKSAZDFVOWHMLI-WMZOPIPTSA-N 472.615 2.350 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2C[C@]2(C)CCCO2)CC1 1588961880 PTDINDOSTJVZST-VWLOTQADSA-N 451.571 2.435 30 10 JEEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1589088781 IOJIIMBWVQJMEH-OAQYLSRUSA-N 469.611 2.072 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](NC(=O)CCC)C1 1594497191 BWMVEDDSSPCFLQ-OALUTQOASA-N 496.678 2.098 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1595822741 JTYSDHXHBSZGBX-YKSBVNFPSA-N 490.626 2.459 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CCOC2(CCOCC2)C1 1595823715 RUZWNXFJCPRGFP-UHFFFAOYSA-N 460.600 2.050 30 10 JEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C1CCC2(CC1)OCCO2 1595884740 RQJRDIPIQDTBGY-INIZCTEOSA-N 456.634 2.221 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1Cc1ccc(OCC2CC2)nc1 1611683850 AODJOTZOQKJEIS-MRXNPFEDSA-N 473.603 2.250 30 10 JEEE CCS(=O)(=O)N(C)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCO2)CC1 1617334040 DJENHWAIUCOSJE-FQEVSTJZSA-N 458.588 2.246 30 10 JEEE C#CCN1CCCN(C(=O)[C@@H](CCSC)NC(=O)c2ccccc2Br)CC1 1629536919 JEBIUWHMOLSDHO-GOSISDBHSA-N 452.418 2.468 30 10 JEEE C=CCC1(O)CCN(C(=O)CCCCCNS(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1638656205 IZAFMKLYDRVVFD-UHFFFAOYSA-N 452.573 2.226 30 10 JEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](C)N(Cc2ccccc2)CC1 1689912806 AZTVUFHOMVENDN-VQTJNVASSA-N 458.632 2.403 30 10 JEEE C#CCN(c1nnc(-c2ccccc2)n1Cc1cccnc1OCCOC)[C@H]1CCS(=O)(=O)C1 1689984329 NJSCXTYRXNUYGR-NRFANRHFSA-N 481.578 2.040 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H](CC)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1689998482 NHAYWWANCLUVQP-OKZBNKHCSA-N 481.619 2.060 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2ccccc2F)n1CCC[C@@H]1NC(=O)NC1=O 1690033152 RPBZYEGMJWHEOP-AEFFLSMTSA-N 452.490 2.008 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(Br)cc2)n1CCCNS(=O)(=O)CC 1690036934 GVHUJGMVZZHVTP-UHFFFAOYSA-N 478.416 2.500 30 10 JEEE C#CCN(CCOC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@]1(O)CCc2ccccc21 1690094259 XPZUKBFIPGBUOF-JWQCQUIFSA-N 454.571 2.239 30 10 JEEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCc2ccccc2C(F)(F)F)CC1 1690130589 IZGOPOFZOYDEHU-UHFFFAOYSA-N 460.504 2.417 30 10 JEEE C#CCSCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCNC(=O)CC1 1690172992 SRFYIVMPRYYUOH-QGZVFWFLSA-N 462.620 2.085 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cn(C)c3ccccc23)nnc1N(C)CCNS(C)(=O)=O 1690242946 FKIPEXAPAYUZEF-UTKZUKDTSA-N 472.615 2.403 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2OC)nnc1N1CCN(C(=O)COC)CC1 1690244302 VZBBPGJTWFBHJH-AVRDEDQJSA-N 455.559 2.230 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(OC)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1690252142 AHAXNVLJJGHGDE-CKUXNOBLSA-N 485.585 2.188 30 10 JEEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)CC2CCCCC2)CC1 1690328004 CIVTYZBFIQAFIC-INIZCTEOSA-N 473.043 2.260 30 10 JEEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC[C@@H](C(F)F)N1CCOCC1 1690518377 HLMVMAPZLHMJTI-SFHVURJKSA-N 469.558 2.327 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCc2cc(OC)c(OC)c(OC)c2CC1 1690668120 SXRULEUWTPKWQZ-UHFFFAOYSA-N 478.553 2.273 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCc2n[nH]c(C)n2)C1 1690700727 WQAMSAKQBGTYLG-ZWKOTPCHSA-N 488.593 2.037 30 10 JEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC(c2ccc(O)cc2)CC1 1690729872 UMJNARMFNYEWEL-UHFFFAOYSA-N 473.599 2.091 30 10 JEEE CC(C)OC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCSCC2)CCO1 1692602087 APMHGVJVZVYBGO-QFIPXVFZSA-N 486.642 2.408 30 10 JEEE C[C@H](CN(C)C(=O)OC(C)(C)C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1 1692682249 GISSIYHMXFHBCJ-AEFFLSMTSA-N 480.635 2.423 30 10 JEEE CC(C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCCN1C[C@H](C)O[C@@H](C)C1 1693837842 DFGMYBDWLHBDBJ-PMACEKPBSA-N 452.607 2.494 30 10 JEEE CCOC1CC(Cn2c(C(=O)NC(C)C)nnc2N(C)Cc2ccc(C#N)cc2)(N2CCOCC2)C1 1696183507 BNGSJPWCZKSUCO-UHFFFAOYSA-N 495.628 2.194 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CCc1ccc(O)cc1 1705533238 WBSMZVGQMWEBLX-WIYYLYMNSA-N 475.615 2.188 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCc1ccncc1)[C@@H]1CCS(=O)(=O)C1 1705560488 HMPAIDJGCLQGAJ-HXUWFJFHSA-N 451.552 2.218 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1nc(C)cs1)[C@@H]1CCS(=O)(=O)C1 1705562192 YNTSHJYQPUTVQL-QGZVFWFLSA-N 472.552 2.293 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H](C(C)C)N1CCOCC1 1705607318 YLOMKKCCXCFIBH-QFIPXVFZSA-N 488.658 2.012 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(CNC(=O)c2cccs2)n1Cc1cnnn1C 1705620800 GUNNMAYDNZBZHO-UHFFFAOYSA-N 464.530 2.225 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](OCC)c2ccccc2)CC1 1705644714 ZXHZBBQCUIYBIP-OAQYLSRUSA-N 466.586 2.160 30 10 JEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2cc(C)nc(C(C)C)n2)CC1 1705652250 SYNNMQQDZVHVDN-UHFFFAOYSA-N 470.647 2.331 30 10 JEEE C#CCSCCn1c(N2CCN(c3ccc(C#N)cn3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1705665322 QJZSKTSJQPFFQJ-DEOSSOPVSA-N 481.626 2.278 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1CC[C@H](SCC)C1 1705754645 CJKIANPTTGLBDD-JYJNAYRXSA-N 464.057 2.474 30 10 JEEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@](O)(c1ccccc1)C(F)(F)F)C1CC1 1705849419 MAWRGXFRSUTPLK-KUHUBIRLSA-N 473.521 2.493 30 10 JEEE C=CCN(Cc1cccs1)c1nnc(C(=O)Nc2ccccn2)n1CCC(=O)N1CCOCC1 1705863959 MEAPBSHYKARUKD-UHFFFAOYSA-N 481.582 2.428 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1705896171 DIFXLXKPNFVNHI-UHFFFAOYSA-N 491.474 2.500 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC2(N(C)C)CCOCC2)C1 1705917951 ZSVXTDWARDRUOE-GBXCKJPGSA-N 463.623 2.211 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1705936250 MNYCFIMDRPXYBN-QZTJIDSGSA-N 483.635 2.076 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](N2CCCC2)C1 1705937790 FFKNXYFWZPHZKR-NRFANRHFSA-N 484.626 2.394 30 10 JEEE CC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)OC)CC1)N1CCCC1 1708807815 BIFRYYRGQOIVEN-FQEVSTJZSA-N 467.574 2.492 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 1722296519 QYYNNOZEFVPBKJ-FUHWJXTLSA-N 463.604 2.205 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCCO3)n2C[C@@H]2CCCS(=O)(=O)C2)c1 1722310390 VINRAVWRORHZDS-PZJWPPBQSA-N 485.610 2.401 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H](CC)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1722362339 SULLKOPPKDPHBV-MSOLQXFVSA-N 490.630 2.214 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1Cc1ncccc1C)[C@@H]1CCS(=O)(=O)C1 1722364598 LYVPQYRLQIDYPL-MRXNPFEDSA-N 489.399 2.414 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CCc1ccc(NC(C)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1722365271 MERNDGSBDIYPKD-HSZRJFAPSA-N 492.605 2.092 30 10 JEEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1CC(F)(F)C1 1722425316 VCCNOWYVLOQBFX-UHFFFAOYSA-N 452.531 2.370 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCN2CCCC2)CC1 1722442785 CGDKRSROYCZTHX-UHFFFAOYSA-N 466.586 2.024 30 10 JEEE C#CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCn2nc(C)nc2C1 1722452058 ASGJXPMKGRROAX-UHFFFAOYSA-N 470.990 2.148 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCN1CCOCC1 1722472200 ADFNGUPUQVFZLM-CJFMBICVSA-N 488.633 2.301 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C)cc2)nnc1N1CCN(CC(=O)NCC)CC1 1722503374 KUWASFNCHAQJQD-BWKNWUBXSA-N 482.629 2.405 30 10 JEEE C=C(Cl)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1722545518 HVPWNSJQYDNHCV-DOTOQJQBSA-N 469.995 2.188 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2ccco2)CC1 1722582867 KZXKYCQTZZGNBI-MRXNPFEDSA-N 464.592 2.046 30 10 JEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2F)CC1 1722630054 UGTZLOVZFCHZCA-SFHVURJKSA-N 463.579 2.239 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1722690382 JAVKEIUYIWTHRS-JQVVWYNYSA-N 486.592 2.406 30 10 JEEE C[S@](=O)C1(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CC[C@](F)(C#N)C2)CCC1 1731019854 CVOIGJPIQOTBCA-ADSBAMQRSA-N 465.576 2.092 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2C[C@@H]2CCCN(C(C)=O)C2)c1 1740563229 RHVIBMQLSFCHIA-FGZHOGPDSA-N 478.597 2.487 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@H]2CCCn3ccnc32)c1 1740563368 XDPKBXFQZGESQT-LJQANCHMSA-N 474.569 2.247 30 10 JEEE C#CCCCn1c(-c2noc3c2COCC3)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1740589301 URHNHDMJXYIXPK-UHFFFAOYSA-N 456.444 2.442 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC(C)(C)c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1740622155 VTKDIVITNMAHNJ-FQEVSTJZSA-N 470.574 2.422 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1Cc1c(C)cc(C)cc1C)[C@H]1CCS(=O)(=O)C1 1740623369 SIBSBUXSAURDJD-IBGZPJMESA-N 450.568 2.335 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCC1CC(OC(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1740626640 MTUZVNGPDBFZSG-WBFXSEPVSA-N 464.632 2.393 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccc(OC)cc2)n1C[C@H](N1CCOCC1)C(F)(F)F 1740643593 LBUIMWHGRQTTIQ-FQEVSTJZSA-N 477.487 2.202 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1snnc1C 1740657680 VRKFAXUFFPIZCC-QGZVFWFLSA-N 471.587 2.258 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(F)ccc3Br)n2CCNC(=O)C2CC2)CC1 1740697861 NODQPFLVTRYRJG-UHFFFAOYSA-N 475.366 2.128 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3F)n2Cc2ccn(C)n2)CC1 1740702261 YQZKPMGAZHBSPK-UHFFFAOYSA-N 455.925 2.485 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@](C)(O)c2ccco2)CC1 1740704399 ORINKHQGJREHSK-VWLOTQADSA-N 458.522 2.283 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H](C)CNC(=O)OC(C)(C)C)CC1 1740704845 UUHODHPQTBKTKX-KRWDZBQOSA-N 469.590 2.400 30 10 JEEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1740788614 XQIYVENFCVWVAC-IBGZPJMESA-N 487.626 2.436 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc(Cn2nc(C)cc2C)n1CCN1CCN(C(C)=O)CC1 1740918162 MBSOLKFZUKIQFC-UHFFFAOYSA-N 476.629 2.496 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)CC2CC2)cc1 1740967927 UTIYFEUCZFAEHF-FQEVSTJZSA-N 461.588 2.070 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2Cc2ccc(C(N)=O)nc2)C1 1740975891 YIPUJBKAIFGBCF-SFHVURJKSA-N 464.526 2.286 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCCN(C(C)=O)CC1 1740986638 CKQUFVYQUVHOQG-KRWDZBQOSA-N 479.578 2.217 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1740988646 LJEPUWCGPOCLHX-IRXDYDNUSA-N 451.980 2.457 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1740989663 USDKOYMRBLFZDV-UHFFFAOYSA-N 481.557 2.278 30 10 JEEE C#CCN(c1nnc(C(C)C)n1Cc1ccc(OCCN(C)C)cc1)[C@H]1CCS(=O)(=O)C1 1748802385 OVFQLCSSCWFGQF-FQEVSTJZSA-N 459.616 2.017 30 10 JEEE C#CCN(c1nnc(-c2ccc(OCC)c(OC)c2)n1CC[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1748809605 OKCBMHOLHNIQHR-QUCCMNQESA-N 488.610 2.406 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCOc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1748814989 MKDXKWWWISPHQD-IBGZPJMESA-N 481.578 2.363 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1cc(OC)ccc1OC)[C@H]1CCS(=O)(=O)C1 1748815520 RBRMWUPAVYSXCK-GHTZIAJQSA-N 474.583 2.212 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCN1CCCC[C@H]1CC)[C@H]1CCS(=O)(=O)C1 1748820981 KRUGBBFWHVASJD-YADHBBJMSA-N 487.674 2.031 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(=O)NCC=C 1748890980 XHGRAALDQVPCPI-LJQANCHMSA-N 454.575 2.158 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(C)cc1N1CCOCC1 1748948606 TVEIDBXRAUKMQN-UHFFFAOYSA-N 489.580 2.205 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN(C)C1CCCC1 1748961117 VOVZCJUIQNVSAD-UHFFFAOYSA-N 463.586 2.152 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2Cc2cccn(CC)c2=O)CC1 1748971247 JDZBXBJHRBZVCD-UHFFFAOYSA-N 473.581 2.132 30 10 JEEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1748992643 CQBDMRLNPBIUET-IBGZPJMESA-N 456.541 2.161 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC2(C(=O)NCC)CCC2)CC1 1749000413 VNDRGSOPOWOXSB-FQEVSTJZSA-N 499.660 2.412 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Oc1ccc(F)cc1 1749066034 GIPDKHFCRRWOLB-HCLVMJGWSA-N 491.589 2.210 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1749176088 YJWBYXMRAJOHLO-SFHVURJKSA-N 476.603 2.486 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CCSC1 1749529801 LKIPPYLHMGPMLB-PGRDOPGGSA-N 478.640 2.249 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2ccncc2)n1CC(=O)N1CCOCC1 1749532121 QTAXSRQALKPAIH-UHFFFAOYSA-N 457.538 2.187 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCC(Nc2cccnn2)CC1 1749680817 SCPZQJODEIDRPC-UHFFFAOYSA-N 462.558 2.339 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1nc(C(C)(C)C)cs1 1760116540 IHISDISCBIJEIG-HZPDHXFCSA-N 480.660 2.066 30 10 JEEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(c2cnccn2)CC1 1760132722 MVSACPMWAPZOPM-UHFFFAOYSA-N 494.625 2.116 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CC1(COC)CCCCC1)[C@H]1CCS(=O)(=O)C1 1760193027 RIMBZVLDSIQNNQ-ACRUOGEOSA-N 494.658 2.226 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCC(=O)NC1CCCCC1 1760216448 NWHIJWWFWBJSAV-UHFFFAOYSA-N 485.592 2.494 30 10 JEEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CC(F)(F)CO1 1760226203 OCPSYWUHNXZSAD-HNNXBMFYSA-N 452.531 2.430 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1CCCN1CCCCC1=O 1760240738 AHWLWPFKRZLNSE-HXUWFJFHSA-N 452.534 2.411 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@]2(N(C)C)CCSC2)CC1 1760254629 CXVNIBMTAOICJU-XMMPIXPASA-N 470.643 2.155 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCCn2cc(Br)cn2)CC1 1760267954 HRAVMBRXOFDRRV-UHFFFAOYSA-N 499.417 2.299 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2Cc2ncnn2C(C)(C)C)CC1 1760271351 VMLUYBDYQCXJBU-UHFFFAOYSA-N 490.612 2.260 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1760312909 GLXBVBNYOSASDT-VQTJNVASSA-N 473.622 2.125 30 10 JEEE C=CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCS(=O)(=O)CC1 1760437612 JDGIOIKUSATGMX-UHFFFAOYSA-N 456.572 2.437 30 10 JEEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cccc(CS(C)(=O)=O)c1 1760461144 LFLZHXSIVDORHK-UHFFFAOYSA-N 488.639 2.453 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1760525035 RGHJHLNJOLRUPE-UHFFFAOYSA-N 475.590 2.248 30 10 JEEE C=CCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCN(C(=O)C(C)C)CC2)cc1 1760529966 MZPIEVPGOQJQFK-HXUWFJFHSA-N 452.559 2.147 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCO[C@@](C)(C(C)(C)C)C2)nnc1[C@@]1(OCC)CCOC1 1760558564 SICXCWGDUOIFKZ-FGZHOGPDSA-N 470.636 2.172 30 10 JEEE Cc1noc(C)c1S(=O)(=O)N1CCN(c2ccc(NC(=O)c3cccc(C#N)c3)cn2)CC1 1858450507 ANJFXGXVDIWKEW-UHFFFAOYSA-N 466.523 2.321 30 10 JEEE COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2CCCNC=O)cc1 1862696271 OMCLBSLAIRDGQL-HXUWFJFHSA-N 452.463 2.196 30 10 JEEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1862746912 FRBTURPGVYWSBX-WYRIXSBYSA-N 485.405 2.233 30 10 JEEE CCCC[C@@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O 1869934892 VHKGVKSQGXCEPR-QGZVFWFLSA-N 454.508 2.148 30 10 JEEE CCCCCCCCC(=O)Nc1nc(N(CCOC)CCOC)nn1[C@H]1CCS(=O)(=O)C1 1870078181 BXEAZOOMKAZESV-SFHVURJKSA-N 473.640 2.426 30 10 JEEE N#Cc1nnn(Cc2ccc([N+](=O)[O-])cc2)c1NC(=O)CCCN1C(=O)c2ccccc2C1=O 1870107289 BUPIMJJDRGTNSW-UHFFFAOYSA-N 459.422 2.121 30 10 JEEE C=CCn1c(C(=O)NC[C@H](c2ccc(O)cc2)N(C)C)cc2c(N3CCN(C(C)=O)CC3)ncnc21 1873595259 VRAAVDWGHZCPDH-HSZRJFAPSA-N 491.596 2.024 30 10 JEEE COc1ccc(CCc2nnc(SCC(N)=O)n2/N=C/c2ccc([N+](=O)[O-])cc2)cc1OC 1874218750 BQCDOLJQGMAZCT-FSJBWODESA-N 470.511 2.448 30 10 JEEE C#CCO[C@H]1CCN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc(Br)cc2)C1 1891738005 LNMFDMXOWFRKCA-WMZOPIPTSA-N 455.374 2.243 30 10 JEEE C=C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1nn(C)c(Cl)c1I 1986051159 VIOFSEASNOIZRX-MRVPVSSYSA-N 454.696 2.374 30 10 JEEE CC(C)(C)OC(=O)N[C@@]1(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CCN(Cc2ccccc2)C1 2124734369 VZVSQHQZKSUDLN-OFVILXPXSA-N 453.587 2.355 30 10 JEEE CC(C)(C)OC(=O)NC(C)(C)[C@H](O)C(=O)NCCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2180969689 GZATXPFHKJENSJ-GOSISDBHSA-N 462.396 2.309 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)[C@@H]2COC[C@@H]12 2266997533 MZBUOYAOIWSXAD-IAOVAPTHSA-N 464.393 2.411 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCOCCN(C)C(=O)OC(C)(C)C 2267134125 LGFURLTZCMEKPC-UHFFFAOYSA-N 469.413 2.364 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N=c1nc(CNC(=O)OC(C)(C)C)[nH]s1 2267134136 LMWMQINVBCPIBY-UHFFFAOYSA-N 481.409 2.301 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CCO1 2267136882 JAAHVTVRLPGWRY-AWEZNQCLSA-N 467.397 2.116 30 10 JEEE CCc1nc(C(=O)NC2(CNC(=O)OC(C)(C)C)COC2)c(B2OC(C)(C)C(C)(C)O2)s1 2267172233 VFYWLMMIKFFKJT-UHFFFAOYSA-N 467.397 2.028 30 10 JEEE C=C(CS(=O)(=O)Nc1n[nH]c(C2CN(C(=O)OC(C)(C)C)C2)n1)B1OC(C)(C)C(C)(C)O1 2267411712 CLNGXBJJPBXEAQ-UHFFFAOYSA-N 469.373 2.068 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NCC1(F)CC(NC(=O)OC(C)(C)C)C1 2267575182 CFIBPFVIXUXHHU-UHFFFAOYSA-N 451.348 2.450 30 10 JEEE COC1CC(NC(=O)OC(C)(C)C)(C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C1 2268705324 HBWRBJHXJPBLEA-UHFFFAOYSA-N 467.397 2.131 30 10 JEEE CC1(C)OB(c2cnc(C(=O)N3CCC(NC(=O)C(F)(F)F)CC3)c(Cl)c2)OC1(C)C 2270591593 NEVDWYWDDJRROW-UHFFFAOYSA-N 461.677 2.317 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2F)[C@@H](CO)C1 2281760858 YSZUPIGZSWCTQN-OAHLLOKOSA-N 464.343 2.179 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2281767448 GTMVWNXEYKQIIY-ZWKOTPCHSA-N 464.343 2.225 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2F)C1 2281791029 WLWUIOKZZKLXDY-QZTJIDSGSA-N 464.343 2.225 30 10 JEEE Cc1c(C(=O)N2C[C@@H]3CCN(C(=O)OC(C)(C)C)[C@@H]3C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281801980 IISAKIRDOVAWIY-JKSUJKDBSA-N 460.384 2.109 30 10 JEEE Cn1cc(C(=O)NC[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2281969612 BJMZBBRUIXWEAV-LBPRGKRZSA-N 476.305 2.295 30 10 JEEE CO[C@@](C)(CNC(=O)c1c(C)nn(C)c1B1OC(C)(C)C(C)(C)O1)COCc1ccccc1 2282002002 IZMNLEMDTAIQQP-DEOSSOPVSA-N 457.380 2.379 30 10 JEEE COC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2282100547 VZQQPCFMANXDFA-QGZVFWFLSA-N 461.368 2.089 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O 2282129851 GMZHHYCDZJTAGS-OALUTQOASA-N 460.380 2.394 30 10 JEEE C=C(CS(=O)(=O)N1C[C@@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C(F)(F)F)C1)B1OC(C)(C)C(C)(C)O1 2282491835 MPXPOUXYOBXVDP-JONQDZQNSA-N 478.342 2.235 30 10 JEEE CCc1nc(C(=O)N2C[C@@H](O)C[C@H](NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2282521975 DWLYRQQBAXDLRJ-KBPBESRZSA-N 481.424 2.105 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2C[C@H](NC(=O)OC(C)(C)C)C[C@H]1C2 2282535537 PNXQHUZTJYEMHU-HRCADAONSA-N 460.384 2.237 30 10 JEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CCC[C@](O)(CNC(=O)OC(C)(C)C)C1 2282569011 LBKLUPRDQCWUOG-QHCPKHFHSA-N 464.368 2.379 30 10 JEEE Cc1cc(C(=O)N2C[C@H](NC(=O)OC(C)(C)C)[C@H]3COC[C@@H]32)oc1B1OC(C)(C)C(C)(C)O1 2282585977 SFTOQWDXKCNUJU-PMPSAXMXSA-N 462.352 2.251 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2[C@@H]3CCCN(C(=O)OC(C)(C)C)[C@H]32)n1 2282588135 DIXUQIUWBRNRLO-YXJHDRRASA-N 460.384 2.330 30 10 JEEE CCON(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1CC)C1CN(C(=O)OC(C)(C)C)C1 2282598718 MMNCQKMSRDNDAU-UHFFFAOYSA-N 464.372 2.215 30 10 JEEE CC(C)(C)OC(=O)N1CC(C)(C)OC[C@@H]1CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2282634170 IQYLXSBCRPIXKZ-INIZCTEOSA-N 463.384 2.458 30 10 JEEE Cc1cnc(C(=O)N2CCC[C@@H](NC(=O)C(F)(F)F)[C@H]2C)c(B2OC(C)(C)C(C)(C)O2)c1 2282644675 MXGMNVNAYFAECB-UKRRQHHQSA-N 455.286 2.361 30 10 JEEE C[C@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C)c1cnn(Cc2ccccc2)c1 2282855879 KKBBJZPQJDRXCM-INIZCTEOSA-N 471.392 2.004 30 10 JEEE CC(C)(C)OC(=O)N1CC(c2nc(=NC(=O)c3ncsc3B3OC(C)(C)C(C)(C)O3)s[nH]2)C1 2296443374 BBUFIYYVQKRCMF-UHFFFAOYSA-N 493.420 2.302 30 10 JEEE COc1ccc(NC(=O)CSc2nnc(C)c(=O)n2N=Cc2cnc(N(C)C)nc2)cc1Cl 2321647875 UYAISAVSGZSUOW-UHFFFAOYSA-N 488.961 2.078 30 10 JEEE COc1cc(C=Nn2c(SCCO)nnc2[C@H]2CC(=O)N(C(C)(C)C)C2)cc(OC)c1OC 2327902112 ZKMCROIVVRZDIG-HNNXBMFYSA-N 477.587 2.385 30 10 JEEE CC(=O)NCc1nnc(SCC(=O)N[C@@H](C)c2ccccc2)n1N=Cc1ccc(O)cc1O 2330794219 CEXSAEVEATVRHO-AWEZNQCLSA-N 468.539 2.177 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](O)[C@@H]1CNc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2365059669 UUYBAMTYIVQKDW-LNLFQRSKSA-N 461.368 2.479 30 10 JEEE CCCNC(=O)CN1CCN(/C(=N/c2ccc(C(=O)O)cc2)NCc2cccc(OC)c2)CC1 21047078 UMWAFWJSRINLPN-UHFFFAOYSA-N 467.570 2.315 30 10 JEEE COc1ccccc1NC(=O)CCSc1n[nH]c(N/N=C/c2c(C)nn(CCO)c2C)n1 59888113 VNWIMOFUHJPRRH-CIAFOILYSA-N 458.548 2.186 30 10 JEEE COCCn1cc(/C=N/Nc2nnc(SCC(=O)Nc3cccc(C(F)(F)F)c3)n2N)cn1 59914175 IHZBILOVPLOWHQ-LIMNOBDPSA-N 483.480 2.030 30 10 JEEE N#Cc1cnc(-n2cnc(I)c2I)c([N+](=O)[O-])c1 385520424 ZFFSQNFIQNXVMP-UHFFFAOYSA-N 466.964 2.256 30 10 JEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)Nc3ccc4c(c3)OCC(=O)N4)nnc12 617183618 AKOOGUUFNUYMHM-UHFFFAOYSA-N 462.491 2.292 30 10 JEEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccc(F)c(Cl)c1 729669015 HMVVWOFKXHTKRR-UHFFFAOYSA-N 479.924 2.121 30 10 JEEE C#CCC[C@H](O)CNC(=O)[C@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 757487716 VXCGPHWMXIRAIH-AOMKIAJQSA-N 450.491 2.259 30 10 JEEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)NCCNC(=O)NC)c1 1142850440 DOARMNCXAVVWDR-UHFFFAOYSA-N 450.948 2.380 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CCc1cc(F)cc(F)c1)[C@H]1CCS(=O)(=O)C1 1286393922 MBKGZCZHJCQODG-NRFANRHFSA-N 471.533 2.412 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC1(SC)CCC1)[C@H]1CCS(=O)(=O)C1 1286396608 QRODEUXEXZQZPR-SFHVURJKSA-N 462.645 2.052 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(N2CCOCC2)c(F)c1 1286418430 BWGAHNSPEMSHPD-UHFFFAOYSA-N 487.539 2.412 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)Oc1ccc(Cl)cc1 1286420420 QEAMROBMCUKESC-DLBZAZTESA-N 463.991 2.472 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cn(CCCCC)nc1C 1286429603 CRDUPIVAWSDHAJ-HXUWFJFHSA-N 456.616 2.387 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2CCCN2C[C@H](C)O[C@H](C)C2)CC1 1286478972 MUMROMLGCIBKSV-OYRHEFFESA-N 454.594 2.263 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H](C)Oc2cccc(F)c2)CC1 1286485414 KLQDTHRIDBHPBI-IPJJNNNSSA-N 457.550 2.364 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1286555923 MJUKCSNIRPPBAJ-TVFCKZIOSA-N 491.580 2.234 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc(CN2CCCC2=O)n1C[C@H]1CCCN1S(C)(=O)=O 1286745278 SKBPRGVRAGNFPW-LJQANCHMSA-N 490.605 2.156 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O)C(C)C 1286752016 QCWWWEMTBXUJKW-VQTJNVASSA-N 485.633 2.349 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCNC(=O)c2cc[nH]n2)C1 1286806108 AFMLQBMEKIKLGT-GOSISDBHSA-N 455.950 2.457 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1cccc(C(N)=O)c1 1286817816 ZYFMGBLQDOQZKC-UHFFFAOYSA-N 474.974 2.330 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC(C(=O)Nc2ccc(C)cn2)CC1 1286818998 VZSNOEYQDHUWAX-UHFFFAOYSA-N 497.625 2.443 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCC(N2CCCC2=O)CC1 1286821495 NLTRHMNGSRCEIM-UHFFFAOYSA-N 475.590 2.200 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCN(c2cc(F)ccc2F)CC1 1286821835 BTQQRYRGYRSEGQ-UHFFFAOYSA-N 488.564 2.470 30 10 JEEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 1286829494 DLMLXHGBVVIVTE-OWCLPIDISA-N 450.609 2.498 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@H]1CCCCN1C1CC1 1288775040 BNGAPRDLWFFKMG-DYESRHJHSA-N 471.631 2.413 30 10 JEEE C[C@H]1CCCN([C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCCN(S(C)(=O)=O)CC2)C1 1291105306 HJJSWVVXDHSOQL-VQTJNVASSA-N 485.658 2.409 30 10 JEEE C[C@@H]1OCC[C@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(C)(C)C)CC1 1291322994 DMAHAYLVYXZFTN-UUOWRZLLSA-N 454.575 2.189 30 10 JEEE C#C[C@H](NC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(Br)cc1 1298541319 FOLMPTYTWPLJQW-AWEZNQCLSA-N 452.286 2.126 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@H](SC)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1300488367 RGSIFFICVXBKTH-IRXDYDNUSA-N 450.634 2.083 30 10 JEEE C#CCN(c1nnc(C2CCN(c3ncccn3)CC2)n1C/C=C/CC)[C@@H]1CCS(=O)(=O)C1 1300495328 GFPXYWBEUOOHQW-RRFGBZISSA-N 469.615 2.045 30 10 JEEE C#CCN(c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1300503834 GENIJOGYKWFEHV-ZWKOTPCHSA-N 497.042 2.266 30 10 JEEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1CN(CC(C)C)CCO1 1300578229 JQNKYVHXBAPNDV-DEOSSOPVSA-N 490.656 2.272 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@H]1CCCN1S(C)(=O)=O 1300578810 HISRVUPPLFIYKW-HXUWFJFHSA-N 478.578 2.487 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCOCC(=C)C)CC1 1300718147 CNZUVQIBCVRPRP-UHFFFAOYSA-N 452.515 2.412 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1300872620 GIMYMIOQTVYQCP-QRQLOZEOSA-N 473.578 2.447 30 10 JEEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@]1(N(C)C)CCSC1 1301422724 VFBVTYBTFLBYDW-XMMPIXPASA-N 483.642 2.268 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1301578461 BGNZGHUYVWZQBQ-KRWDZBQOSA-N 486.598 2.315 30 10 JEEE C=C(Cl)C[C@@H](NC(=O)c1cc(Br)cc(S(N)(=O)=O)c1C)C(=O)OCC 1302419506 MQFHZLUFBYEZND-GFCCVEGCSA-N 453.742 2.209 30 10 JEEE C#CCOc1ccccc1NC(=O)N1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1 1310573168 QQHFTSUSLQEZKY-UHFFFAOYSA-N 459.524 2.254 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2C[C@H]2OCCC2(C)C)c1 1358902877 CKYSHQUGIWIXQT-HXUWFJFHSA-N 464.570 2.272 30 10 JEEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1358933445 UHPPKJFWOXANJG-NRFANRHFSA-N 466.634 2.122 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1ccnc(SCC)c1)[C@H]1CCS(=O)(=O)C1 1358964592 BVQRHBHJVJSUSY-FQEVSTJZSA-N 482.635 2.446 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@]1(N(C)C)CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1358965462 VLSUDVNMZVNRBJ-LFAGZIFBSA-N 484.670 2.401 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H](c2ccc(C)cc2)N(C)C)CC1 1359045069 VWEZQIAWXMTHHV-DHIUTWEWSA-N 464.614 2.359 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2Cc2cccnc2OC)CC1 1359046037 BMNUZCJEYLKFDG-UHFFFAOYSA-N 450.568 2.348 30 10 JEEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1359122158 ALHIDMOWQNPPJT-AQNXPRMDSA-N 476.622 2.320 30 10 JEEE C=C(C)COCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCN(C(C)=O)CC1 1359133321 PQOHKJPMLGRGQZ-FQEVSTJZSA-N 492.621 2.238 30 10 JEEE C=C(C)COCCn1c(COc2ccc(F)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1359136121 ADWHUJDVVRSBCN-LJQANCHMSA-N 472.521 2.062 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1359304160 OHZZXPYFAVDJOQ-VQTJNVASSA-N 452.559 2.024 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCNC(=O)C(C)(C)C)C1 1359321941 NRTPPWAFRVFQGI-HXUWFJFHSA-N 482.633 2.396 30 10 JEEE C#CC[C@@H](CCOC)NC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 1461936409 UJYYDMPCCBTIQQ-HNNXBMFYSA-N 457.936 2.194 30 10 JEEE CN(Cc1ccc(C#N)cc1)c1nnc(CN2CCCC2=O)n1CCN1CCOC(C)(C)C1 1503463715 FXZFFPKLCKKLFL-UHFFFAOYSA-N 451.575 2.019 30 10 JEEE CNS(=O)(=O)c1cccc(Cn2c(-c3ccccn3)nnc2N2CCC[C@](C)(C#N)C2)c1 1503828100 FNGFFKVZBNFPSW-JOCHJYFZSA-N 451.556 2.427 30 10 JEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(Cc2cscn2)CC1 1507593130 ILPAHJUTEZPMLD-UHFFFAOYSA-N 455.613 2.462 30 10 JEEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1C[C@H]1CCSC1)[C@@H]1CCS(=O)(=O)C1 1507637835 BXAJMCJSGRTTTI-QZTJIDSGSA-N 476.624 2.246 30 10 JEEE C#CCN(c1nnc(CN2CCCC2=O)n1CCSc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1507640088 PEQIMKAOTUQIQL-LJQANCHMSA-N 487.651 2.128 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CC(F)(F)CO1 1507665522 PKSXQXODFAVLAV-MRXNPFEDSA-N 462.526 2.125 30 10 JEEE C#CCN(CC)c1nnc(-c2cc(Br)cn2C)n1CC1(CS(C)(=O)=O)CC1 1507681470 UPOSDZFTXHWLPN-UHFFFAOYSA-N 454.394 2.330 30 10 JEEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1507750209 MGXSJGBZORENRT-IBGZPJMESA-N 455.632 2.163 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCS(C)(=O)=O 1507767987 KDQUGLMPMUEDHW-VGOFRKELSA-N 465.620 2.429 30 10 JEEE C=C(Cn1c([C@@H](C)OCCOC)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1)c1ccccc1 1507856534 ZZAUIJHKLKAFCS-FYYLOGMGSA-N 482.629 2.458 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](c2ccco2)N(CC)CC)CC1 1507883823 ADFTUMFPWOYDDR-TZIWHRDSSA-N 492.646 2.444 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1CN(C)C(C)C 1507984367 VIRNKHIQNZCQHP-NRFANRHFSA-N 476.647 2.122 30 10 JEEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CN(Cc2ccccc2)CCCO1 1509949244 CHJZXZWMBUTWPO-CEMLEFRQSA-N 486.642 2.210 30 10 JEEE CCCC(O)(CCC)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@@H](C#N)C1 1514346500 FDNVCXMVOLJAIA-KRWDZBQOSA-N 465.558 2.252 30 10 JEEE CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](OCC2CC2)C1 1516846614 GVRHYMDFCGYSMW-FQEVSTJZSA-N 458.588 2.151 30 10 JEEE C#CCNC(=O)C1CCN(C(=O)CCc2nc(-c3cc(Br)cs3)no2)CC1 1524477863 QTNRBCNIKIOIBM-UHFFFAOYSA-N 451.346 2.481 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cccc(N2CCOCC2)n1 1538977986 ZEQJZOPGBVOJPO-NTKDMRAZSA-N 454.575 2.057 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1539039189 ZOQFHMXGAIGFTQ-FJIDUMEYSA-N 459.513 2.113 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCc1ccccc1OC)[C@@H]1CCS(=O)(=O)C1 1539221589 QIRHVOYOLXDFPJ-CTNGQTDRSA-N 458.584 2.398 30 10 JEEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCC(=O)N[C@H](C)CC 1539346780 JKRGRNHPBMSNSF-MRXNPFEDSA-N 459.620 2.311 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCN(C)C(=O)OC(C)(C)C)CC1 1539482211 RVKZFQPZUHTFQO-LJQANCHMSA-N 474.606 2.005 30 10 JEEE C=C(C)COCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)OC)CC1 1539750853 WDCVYPUTVNXVOX-GOSISDBHSA-N 494.593 2.068 30 10 JEEE C=C(Cl)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1539811141 BYMKVRZPJXBEGV-UHFFFAOYSA-N 461.010 2.471 30 10 JEEE C=C(Cl)Cn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1539811441 FHNOHSZLGNEWHA-KRWDZBQOSA-N 450.012 2.129 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@](C)(O)c2ccccc2Cl)CC1 1539849502 XSWDARQMAVHUSL-DENIHFKCSA-N 496.033 2.329 30 10 JEEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 1540040307 RHWQQFDUEMMHRM-SFHVURJKSA-N 462.595 2.439 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@H](C(=O)OC)C1 1540865515 JNANQWWJSIXNSA-HNNXBMFYSA-N 462.348 2.399 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1540866485 OOQOUVFLQICGRA-GOSISDBHSA-N 458.994 2.449 30 10 JEEE C=CCSCCn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1540919200 JJHLETJKSSLCPA-LJQANCHMSA-N 475.688 2.296 30 10 JEEE CC(=O)N1CC[C@H](CN(C)c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)C(C)(C)C)C1 1540946349 AQECUZZKFOJDMO-HXUWFJFHSA-N 481.601 2.196 30 10 JEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(CNC(=O)c2cnn(C)c2)CC1 1544721048 HXJYRMBCBGTQIJ-KRWDZBQOSA-N 453.971 2.424 30 10 JEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1587765528 HOJPQVJWTYZGIN-GCJKJVERSA-N 467.636 2.056 30 10 JEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(n2ncc3ccccc32)CC1 1587807937 LEUHOBJMIPQKBC-KRWDZBQOSA-N 455.588 2.493 30 10 JEEE C#CCN(c1nnc(-c2cccc(Br)c2)n1CC[S@](=O)CC)[C@H]1CCS(=O)(=O)C1 1588035161 PMCMKMQZMMGLKZ-YMGMXPECSA-N 499.456 2.103 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCCNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1588045742 PTHJNLZCIXIGRS-FQEVSTJZSA-N 498.609 2.358 30 10 JEEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1C[C@H](OC)[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1588064511 JKFBCPWGHPOVJD-NRSPTQNISA-N 484.626 2.204 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@H](C)Oc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1588065471 ZBUTYQRBGHDBBR-GHTZIAJQSA-N 483.569 2.497 30 10 JEEE C#CCSCCn1c(-c2ccc(Br)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1589006785 IJYCPFFXWLMNPB-UHFFFAOYSA-N 491.459 2.284 30 10 JEEE C=C(C)CN(CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@]1(O)CCN(C)C1 1589676337 QRQGDESDVHQYJL-SANMLTNESA-N 467.662 2.112 30 10 JEEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(c2nccs2)CC1 1594566698 JPYLDFZSGQELKC-MRXNPFEDSA-N 453.638 2.418 30 10 JEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCCCC2)CC1 1594813797 YWVLZJVGKYZKGS-IBGZPJMESA-N 451.637 2.228 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCN2C(=O)NC[C@@H]2C1)C(C)C 1595170784 JULRDFADDKNJBS-NJDAHSKKSA-N 457.623 2.085 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C)CCOCC1 1595260051 GOEIQTJZHXCSPB-FQEVSTJZSA-N 493.630 2.256 30 10 JEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2c(F)cc(F)cc2[C@H]1C 1595405369 MEUQGKZWNLZPGS-FZKQIMNGSA-N 453.515 2.199 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2(COC)CCOCC2)C1 1595674804 UNJPYRLKJSFJOK-GOSISDBHSA-N 456.547 2.150 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)c2ccc(C)cc2)CC1 1595797132 FAXYQUKUDDLEQR-NRFANRHFSA-N 487.626 2.391 30 10 JEEE Cc1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)n(C)n1 1612469195 BASRFXZNXPZJKS-DLBZAZTESA-N 471.587 2.077 30 10 JEEE CCCNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCOC[C@H]2C)C1 1614908737 HAJSMNPFQUCMOQ-KNQAVFIVSA-N 465.602 2.280 30 10 JEEE CN(C[C@H]1CCOC1)c1nnc(COc2ccc(C#N)cc2)n1CC1(S(C)(=O)=O)CCC1 1618135457 GFQRJBJBBOTURH-GOSISDBHSA-N 459.572 2.169 30 10 JEEE COC[C@@H](C)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCO[C@@H](C#N)C1 1619581880 GAJBHSPSCMGGHO-IRXDYDNUSA-N 451.531 2.247 30 10 JEEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)c2ccccn2)CC1=O 1619951316 CWBKAPKDZVAVOW-UHFFFAOYSA-N 489.580 2.397 30 10 JEEE C#CCN(C(=O)c1cc(Br)cc(Br)c1N)[C@H]1CCS(=O)(=O)C1 1630830553 QMFWYHBVDKLYTA-JTQLQIEISA-N 450.152 2.056 30 10 JEEE C#CC[C@H](NCC(=O)N1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1)c1ccccc1 1645100317 MFTBZJBOHRUHEK-QHCPKHFHSA-N 453.564 2.076 30 10 JEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCC[C@H](c3nnc(S)n3C)C2)cc1 1667956197 LCJDEOATWPBYOC-AWEZNQCLSA-N 450.590 2.322 30 10 JEEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CN(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CCO1 1668264667 CXKNNJLAWFPYFO-APWZRJJASA-N 458.563 2.246 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2Cc2cnc(C)s2)c1 1689873497 LPCGWXFMQHMCHN-UHFFFAOYSA-N 463.567 2.270 30 10 JEEE C#CCCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCO[C@@H](C(=O)NC)C1 1689878911 YQKZCTJLQGESPH-GOSISDBHSA-N 476.375 2.471 30 10 JEEE C#CCN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1[C@@H]1C[C@H]1CF)[C@@H]1CCS(=O)(=O)C1 1689980764 XBIQSGCLTVUBBH-CGTJXYLNSA-N 479.965 2.019 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CCC1(COC)CCCC1)[C@H]1CCS(=O)(=O)C1 1689993331 AZNVSZXRMNKNBB-NRFANRHFSA-N 471.627 2.488 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCN(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1689998274 HOQIRJPMPODVNX-XUVXKRRUSA-N 465.664 2.164 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCCn2ccnc21 1690019131 BEOPEXUQNDNAHP-VQTJNVASSA-N 479.585 2.433 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1ccccc1)C1CC1 1690046758 GRHUAZRMVRVWNE-PKTZIBPZSA-N 481.622 2.268 30 10 JEEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1690163345 BLRLQXVOSLGVIR-HXUWFJFHSA-N 498.609 2.095 30 10 JEEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1690163688 NQNAIIICLAXOPH-YLJYHZDGSA-N 488.061 2.349 30 10 JEEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1690671917 CHIAAYRZBISXJC-UHFFFAOYSA-N 478.507 2.043 30 10 JEEE C=CCS(=O)(=O)CCn1c(N(C)C2Cc3ccccc3C2)nnc1[C@]1(OCC)CCOC1 1690731556 LNRDIMREAHCOKY-QHCPKHFHSA-N 460.600 2.135 30 10 JEEE Cc1ccc(OCc2nnc(N3CCN(c4c(C#N)c(C)nn4C)CC3)n2CC(C)(C)O)cc1C 1693144889 AAZZWYPMEKWKTL-UHFFFAOYSA-N 478.601 2.485 30 10 JEEE CCNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1695912146 DBQGNZVBBFTNHK-IBGZPJMESA-N 451.575 2.332 30 10 JEEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1696902631 HLZSXFYNJSEYOU-RBUKOAKNSA-N 488.596 2.303 30 10 JEEE N#Cc1ccc(OCc2nnc(N3CCN(c4ncccc4C(N)=O)CC3)n2CC(F)(F)F)cc1 1698488548 DZAJLNNTRFAIPC-UHFFFAOYSA-N 486.458 2.112 30 10 JEEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1(O)CCN(C(C)C)CC1 1705559192 UCKOBMZSAJRBFH-KDURUIRLSA-N 460.623 2.354 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCOc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1705569195 DLXRZXKDRMRHCW-IBGZPJMESA-N 489.598 2.479 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1CCc2ccccc2C1 1705598106 BEKOVFZAHFHDAF-HSZRJFAPSA-N 479.650 2.480 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCN(c2ccccc2F)C1 1705598128 BSGKXMTYDWGKDF-PMACEKPBSA-N 469.586 2.309 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](c2ccco2)N(C)C)CC1 1705648108 NVGFTJFOKZSECI-WOJBJXKFSA-N 454.575 2.034 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2Cc2cccnc2OC)CC1 1705650941 DLDXIFAZYYANID-UHFFFAOYSA-N 478.528 2.414 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1705693769 KFQUZSJUWRMLFH-DYXWJJEUSA-N 467.574 2.211 30 10 JEEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 1705720938 ILEBDERLSSOXCG-AWEZNQCLSA-N 484.985 2.219 30 10 JEEE C=CC1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1705784525 ZCFTWCBEPTWRGH-QGZVFWFLSA-N 463.629 2.497 30 10 JEEE CCN(C[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)NC)C1)CC(F)(F)F 1710126107 GUOKOBFOOIGQKP-QGZVFWFLSA-N 499.563 2.076 30 10 JEEE COC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCN2CCCO)CC1 1711444146 BPYKETGQQKALJE-OAQYLSRUSA-N 452.559 2.053 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccccc1CN1CCOCC1 1722284330 MJDUVYPYJKRWLO-LJQANCHMSA-N 459.554 2.264 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CC1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1722365464 OILBCQAWEZQUGF-KNQAVFIVSA-N 450.605 2.137 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC(C)(C)c1ccccn1)[C@@H]1CCS(=O)(=O)C1 1722369272 XBXMKJWCDUUFMI-RTBURBONSA-N 457.600 2.172 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCCCS(C)(=O)=O 1722392563 OOCDUVSWPTZJKC-UHFFFAOYSA-N 456.568 2.394 30 10 JEEE C#CCN1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2C[C@@H](CC(C)C)N(C)C)CC1 1722438629 VPFJNPPZOSDKCM-OAQYLSRUSA-N 490.656 2.406 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CC(F)(F)F)CC1 1722443495 KJNKIPPXBFYUJS-UHFFFAOYSA-N 481.475 2.499 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2cccc(OC)c2)CC1 1722443953 QZQLSYRDJHIQOW-AREMUKBSSA-N 481.597 2.341 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CC2(CCOC)CC2)CC1 1722449319 PPQKMGCMWLBMJI-UHFFFAOYSA-N 456.616 2.416 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC(=O)NC2CCCC2)CC1 1722460278 WZYIMILPFPOTDN-IBGZPJMESA-N 493.699 2.212 30 10 JEEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2cccc(O)c2)CC1 1722486582 AIBOOJIWDUIXLY-UHFFFAOYSA-N 461.364 2.341 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(=O)OC)CC1 1722495029 PINMKPZZLIFFGZ-QUCCMNQESA-N 489.598 2.218 30 10 JEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C)CNC(=O)OC(C)(C)C)CC1 1722574929 TYLMRIFITWRDIX-CVEARBPZSA-N 470.640 2.452 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1ccc(OC)c(F)c1 1722689782 ABWGYQLPMIGQSE-UHFFFAOYSA-N 453.478 2.012 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1722693438 NXOZTNMBZPKKLI-UHFFFAOYSA-N 485.442 2.178 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N(C)CCNC(=O)C(C)C 1722694569 ZTAJBYFKEHHEHS-UHFFFAOYSA-N 469.409 2.280 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCS(=O)(=O)CC)C1 1722716459 VIXPSZZNADRQQO-AWEZNQCLSA-N 458.382 2.252 30 10 JEEE C[C@H](CC#N)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCS(=O)(=O)CC1CC1 1723771780 HSBPOMNIHLZGHZ-CQSZACIVSA-N 455.544 2.157 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@H](C1CC1)N(C)Cc1ccccc1 1723932306 BFVCINGHWKZMLY-XTQVGHSUSA-N 489.621 2.241 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCc1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1740621245 VBQRBQIBHZRLKK-KRWDZBQOSA-N 474.974 2.468 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2(CC)CCOCC2)CC1 1740701252 ZOIMLZCMAQMTLP-UHFFFAOYSA-N 479.585 2.098 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](C)COc2ccccc2OC)CC1 1740704852 VAMBAPBSBATLFM-IBGZPJMESA-N 491.596 2.368 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCCCN2CCCC)CC1 1740708548 TUNOBYCCQVQDMX-QFIPXVFZSA-N 483.661 2.021 30 10 JEEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 1740720751 LJACLDUFWCGWCU-QHCPKHFHSA-N 462.623 2.486 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1740759043 FFZFOICJBATHPO-KNQAVFIVSA-N 474.631 2.105 30 10 JEEE C=CCC(C)(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(C(=O)COC)CC1 1740847609 OECMMRAQVXROEH-UHFFFAOYSA-N 479.585 2.089 30 10 JEEE C=CCCCCn1c(-c2cnccn2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1740861543 QQXYJHBZYSGOGX-OAQYLSRUSA-N 454.623 2.323 30 10 JEEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(=O)c2ccccc2)CC1 1740876783 WLZAGIYQWKFDRS-FQEVSTJZSA-N 457.600 2.499 30 10 JEEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1740943169 UPSPFVCRTYFNGP-UHFFFAOYSA-N 481.022 2.346 30 10 JEEE C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1740943786 ABCWTCUASFYMBS-UHFFFAOYSA-N 498.432 2.498 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1740960857 DNLBUAVOICCRJN-CTNGQTDRSA-N 473.021 2.372 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OCC)CCOC3)n2CCc2nccnc2C)c1 1748691259 BPXBPYGGBTVJLY-SANMLTNESA-N 489.580 2.328 30 10 JEEE C#CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@H](CNC(C)=O)C1 1748713009 NHNAIHGKJLZCSR-LJQANCHMSA-N 461.570 2.348 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCN1CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1748824011 HEJCLMJBQPXMFV-UWHLTILDSA-N 477.675 2.308 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(c2cccc(OC)c2)CC1 1748864305 UYMLLYSULJGRTK-SFHVURJKSA-N 455.584 2.092 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1CC1(C(=O)NCC)CCC1 1748946524 IVBOFIGCKXKKGJ-UHFFFAOYSA-N 466.561 2.486 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1748984868 ULPHFCMTJHOQGY-NRFANRHFSA-N 480.613 2.366 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[C@@H](C)c2ccc(OC)cc2)CC1 1748990218 WDSCPQFRHFJPBT-CTNGQTDRSA-N 471.627 2.138 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2CCN2CCCCC2)CC1 1749016408 DELWWXCPVGXQJJ-UHFFFAOYSA-N 464.614 2.329 30 10 JEEE C=C(C)Cn1c(-c2ccccn2)nnc1N1C[C@@H]2[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1749186321 GVRCUGOMWFOKDI-BPQIPLTHSA-N 474.587 2.043 30 10 JEEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1749232571 PHPFBNLIWNSKDB-IBGZPJMESA-N 460.604 2.054 30 10 JEEE C=CCN(c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCS(=O)(=O)NC)C1CC1 1749517261 MESKWAJVZJQKAF-MRXNPFEDSA-N 468.624 2.097 30 10 JEEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 1749640435 YDPBIFVKQNLOQK-UHFFFAOYSA-N 468.558 2.486 30 10 JEEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(CC)C[C@@H](O)c1ccc(C)cc1 1749666146 IAOMMPSARBAGNP-LJQANCHMSA-N 466.542 2.176 30 10 JEEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCCN(C(C)(C)C)CC1 1749667271 WRKNPPLYUXVGQA-UHFFFAOYSA-N 464.574 2.207 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCC([C@@H]3CC3(F)F)CC2)nnc1[C@@]1(OCC)CCOC1 1749739571 GTBMYJPXAFYWTJ-FXAWDEMLSA-N 474.574 2.403 30 10 JEEE CC(C)N(C)CCn1c(-c2cnn(C)c2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1750882320 CLEYEPBKRIJBAM-UHFFFAOYSA-N 451.554 2.356 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2F)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1760123376 DUMJCHNSIOSICB-UYAOXDASSA-N 456.566 2.397 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@@](C)(O)c1ccco1)[C@H]1CCS(=O)(=O)C1 1760185050 OMQFCCDUDRLVNK-FDDCHVKYSA-N 454.552 2.381 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2Cc2cccs2)CC1 1760256345 VUTCRMJHMOTNPC-UHFFFAOYSA-N 470.624 2.060 30 10 JEEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C)C(C)(C)C1 1760358618 XKHRPMRSOKEQSY-ZWKOTPCHSA-N 455.625 2.076 30 10 JEEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1760527145 NOQXLSDKYZFSMC-UHFFFAOYSA-N 483.617 2.004 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(C)(C)C)CC1 1760532092 KVIXAJXHWWLFFP-GOSISDBHSA-N 476.647 2.422 30 10 JEEE C=CCOc1ccccc1Cn1c(-c2cccc(C)n2)nnc1N1CCN(CC(=O)N(C)C)CC1 1760532935 JRSNILDHBSZJKS-UHFFFAOYSA-N 475.597 2.472 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@H]2CCC(=O)N2)C1 1760539098 KCDYUTMOVQGDIS-SJORKVTESA-N 457.531 2.031 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(F)cc2Br)nnc1N1CCO[C@H](C#N)C1 1760553794 ZPXDEJDMDZMRMT-CQSZACIVSA-N 484.351 2.176 30 10 JEEE C=CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1760562161 YXYOXKQNMQNDPR-AWEZNQCLSA-N 457.025 2.383 30 10 JEEE CN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 1768456186 GOMGTRVPDIHYNH-HXUWFJFHSA-N 450.465 2.435 30 10 JEEE CCO[C@]12O[C@@H]1C[C@@]1(CC[C@H]3[C@H]4[C@H](C(=O)OC)[C@@H](O)C5=CC(=O)CC[C@]5(C)[C@]45O[C@@H]5C[C@@]31C)O2 1848433029 UEHLHDISHRGLLG-UIDHBNPOSA-N 474.550 2.268 30 10 JEEE CCOc1cc(C)c(S(=O)(=O)N[C@@H]2CCN(S(=O)(=O)c3ccccc3C#N)C2)cc1C 1858334439 HTVRLJLQOJKDSE-GOSISDBHSA-N 463.581 2.315 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)CN3CCN(S(=O)(=O)c4cc(C)ccc4OC)CC3)cc21 1858632230 ZVGZACWBYBWCLP-UHFFFAOYSA-N 499.589 2.104 30 10 JEEE N#Cc1c(NC(=O)COc2cccnc2NC(=O)NCCCN2CCOCC2)sc2c1CCC2 1858788670 JWXKJKDLTRVHKA-UHFFFAOYSA-N 484.582 2.365 30 10 JEEE COc1ccc(-c2nnc(N3CCN(CC(=O)Nc4sc5c(c4C#N)CCC5)CC3)nc2O)cc1 1859430612 DKXLVKXPXXLTDY-UHFFFAOYSA-N 491.577 2.435 30 10 JEEE C=CCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2C)[C@@H]1c1cc(OC)c(O)c(OC)c1 1864957703 CUYZNBJLBWJCRE-LBPRGKRZSA-N 454.405 2.159 30 10 JEEE CC(=O)Oc1ccc(C[C@@H](NC(=O)CC[C@@H]2CCS(=O)(=O)C2)C(=O)Nc2ccccc2C#N)cc1 1866928224 ARORQFVFFDYBJM-AUSIDOKSSA-N 497.573 2.364 30 10 JEEE CCC[C@H](NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1)C(=O)N(CCOC)CCOC 1868795128 JGARSFZRZWGMFP-PMACEKPBSA-N 464.632 2.431 30 10 JEEE N#Cc1nnn(Cc2c(F)cccc2Cl)c1NC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 1870111122 ZGOJGDWZGQNUPA-UHFFFAOYSA-N 483.803 2.133 30 10 JEEE COc1cccc(/C=N/n2c(SCC(N)=O)nnc2[C@H]2CC(=O)N(Cc3ccccc3)C2)c1 1874209364 BYYIFNJEIUMVEZ-SAMQYFKISA-N 464.551 2.262 30 10 JEEE CCOc1cc(/C=N/n2c(SCC(N)=O)nnc2[C@@H]2CC(=O)N(Cc3ccccc3)C2)ccc1O 1874210293 PMQXTCGSCIJWSD-ROJKJRQJSA-N 494.577 2.358 30 10 JEEE CCN1CCN(CC#CCOC2CCN(C(=O)[C@H]3CC(=O)N(c4ccc(Cl)cc4)C3)CC2)CC1 1889547286 DXMLMKUNPDBTFG-NRFANRHFSA-N 487.044 2.341 30 10 JEEE CC(C)N1C(=O)CS[C@@H](C(=O)NCc2nnnn2-c2ccc(F)cc2)[C@@H]1c1ccc(C#N)cc1 1891737614 WOFWJMBRDBIKGN-FCHUYYIVSA-N 479.541 2.383 30 10 JEEE CC(C)N1C(=O)CS[C@@H](C(=O)NCc2ccc(N3CCOCC3)nc2)[C@@H]1c1ccc(C#N)cc1 1892063870 YIHAGXIUIQCCEG-BJKOFHAPSA-N 479.606 2.500 30 10 JEEE CC(C)(C)OC(=O)NCC(CNC(=O)OC(C)(C)C)NS(=O)(=O)c1cc(F)cc(C#N)c1 2054408213 OMFJEDKODRYTJH-UHFFFAOYSA-N 472.539 2.394 30 10 JEEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cc(N)cc(Br)c2F)[C@H](C#N)C1 2162920862 HGSPQPDZDHZZRU-LLVKDONJSA-N 463.329 2.304 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)S(=O)(=O)C(C)(C)C1 2197738687 FGVYWOZREYYSIE-VQTJNVASSA-N 490.626 2.036 30 10 JEEE CC1(C)OB(c2c[nH]nc2C(=O)NC2CCN(C(=O)OCc3ccccc3)CC2)OC1(C)C 2247829059 QZFJDRTXQOUEBR-UHFFFAOYSA-N 454.336 2.240 30 10 JEEE C#CCN(OC)C(=O)c1cc(I)cc(I)c1O 2249503992 YDNXUMFYFSYBFH-UHFFFAOYSA-N 457.005 2.238 30 10 JEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)CCN1C(=O)[C@H]1C[C@@H](B2OC(C)(C)C(C)(C)O2)C1 2255850838 KBIZZCFRMHSREP-GASCZTMLSA-N 458.386 2.268 30 10 JEEE C[C@H](c1cc(B2OC(C)(C)C(C)(C)O2)cs1)N(C)C(=O)[C@@H](O)CNC(=O)OC(C)(C)C 2256625154 SCQRTZQQRSYMQW-HIFRSBDPSA-N 454.398 2.452 30 10 JEEE CC(C)(C)OC(=O)NCCN1CCN(c2nccc(B3OC(C)(C)C(C)(C)O3)c2F)CC1 2266058914 GJHMVPCVJPSHSG-UHFFFAOYSA-N 450.364 2.167 30 10 JEEE CC(C)CN(CCNC(=O)OC(C)(C)C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2267121231 VLEFMWCDAFGASN-UHFFFAOYSA-N 450.389 2.342 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)c1nc(NC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)n[nH]1 2267174045 BOWHVOIXSHBGOR-JTQLQIEISA-N 464.357 2.398 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1)CC(F)(F)F 2267513968 ZHMHPTCPZUBTAO-NSHDSACASA-N 462.278 2.284 30 10 JEEE Cn1cc(C(=O)N[C@H](CNC(=O)OCc2ccccc2)C(F)(F)F)c(B2OC(C)(C)C(C)(C)O2)n1 2267518207 AYDUYKMVFUUDND-MRXNPFEDSA-N 496.295 2.306 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@](CO)(C(=O)NCc2sccc2B2OC(C)(C)C(C)(C)O2)C1 2268653723 QQLLIOLZFSXLKX-JOCHJYFZSA-N 466.409 2.283 30 10 JEEE C[C@H](OCc1ccccc1)[C@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(=O)O 2269038905 QGDXZWVISIAYIW-KSSFIOAISA-N 481.401 2.384 30 10 JEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H]1[C@H]2OCC[C@@H]2[C@H]1NC(=O)OC(C)(C)C 2281810221 MMIBUCSARVHRJO-PILAGYSTSA-N 462.352 2.298 30 10 JEEE C[C@@H]1CCCN(C(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)[C@H]1CNC(=O)OC(C)(C)C 2281827245 SUZBGVYFJLEBPN-WBVHZDCISA-N 462.400 2.485 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2CC[C@@]2(NC(=O)OC(C)(C)C)C1 2281968728 FSUXBDSACMZNBR-NPMXOYFQSA-N 460.384 2.332 30 10 JEEE CCC1(CNC(=O)c2c(B3OC(C)(C)C(C)(C)O3)c(C)nn2C)CN(C(=O)OC(C)(C)C)C1 2281991885 GZADYFXQGHTPHQ-UHFFFAOYSA-N 462.400 2.405 30 10 JEEE CC1(C)OB(c2scnc2C(=O)N2CC[C@@](CNC(=O)C(F)(F)F)(C3CC3)C2)OC1(C)C 2282014300 PDXRNBSXLFRSIX-IBGZPJMESA-N 473.326 2.363 30 10 JEEE CCn1cc(C(=O)N=[S@@]2(=O)CC[C@@H](NC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2282042519 COOJITLFYBXUJY-LHRCYKKBSA-N 482.412 2.107 30 10 JEEE CC(C)(C)OC(=O)N1[C@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)C[C@H]2OCC[C@@H]21 2282057919 NBBTVAJGDHOIAZ-CWRNSKLLSA-N 479.408 2.339 30 10 JEEE CN(C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2282552788 SIERAOXTTHOKED-MRXNPFEDSA-N 462.400 2.438 30 10 JEEE CC(C)(C)OC(=O)N(CCO)[C@@H]1CCCN(C(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C1 2282627018 FWUFWWRHOHWFRK-OAHLLOKOSA-N 481.424 2.276 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2C[C@@H](NC(=O)c3nccnc3B3OC(C)(C)C(C)(C)O3)C[C@H]21 2283068323 LFJKQTYBCWCDJH-ZJIFWQFVSA-N 458.368 2.197 30 10 JEEE CN(Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)[C@@H]1C[C@H](O)CN1C(=O)OC(C)(C)C 2283953346 RXDJKCDUMMFXQG-OALUTQOASA-N 460.380 2.315 30 10 JEEE CC(C)(C)OC(=O)NOCc1ccc(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)cc1 2283965943 UQVAJQRFKRLUJF-UHFFFAOYSA-N 476.364 2.468 30 10 JEEE CO[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2284040380 LBGHGSZOURZIEB-LSDHHAIUSA-N 481.424 2.331 30 10 JEEE C[C@H](c1nscc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)C1(NC(=O)OC(C)(C)C)CC(O)C1 2284050453 YHJPSCHNMOXVGL-JSBZPRQMSA-N 481.424 2.380 30 10 JEEE Cc1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@@](C)(CO)NC(=O)OC(C)(C)C 2285951947 FASSVCHFYNVQMK-QHCPKHFHSA-N 466.359 2.439 30 10 JEEE COc1cc(C=Nn2c(C)nnc2SCC(=O)OCC(C)C)ccc1OCCN1CCOCC1 2321181261 NCXXZZPOVIEPIY-UHFFFAOYSA-N 491.614 2.480 30 10 JEEE CC(=O)NCc1nnc(SCC(=O)Nc2ccccc2F)n1N=Cc1ccc(O)cc1O 2330721839 AWKWDNLOFQRONY-UHFFFAOYSA-N 458.475 2.078 30 10 JEEE COc1cc(C=Nn2c(SCCO)nnc2-c2ccco2)ccc1OCCN1CCOCC1 2331231442 DHNBQOQFDXJORB-UHFFFAOYSA-N 473.555 2.224 30 10 JEEE CC(C)(C)OC(=O)N1CC(OCCCNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2362389697 WQPAMGRFPKYJQY-UHFFFAOYSA-N 461.368 2.137 30 10 JEEE CO[C@H](CNC(=O)OC(C)(C)C)CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1C 2365423083 CCGOXFUZUCZVFR-QGZVFWFLSA-N 484.424 2.112 30 10 JEEE COC(=O)c1ccc(/C=N/Nc2nnc(SCC(=O)N[C@@H](C)c3ccccc3)n2N)cc1 20806125 PNXFMPSFCIVBMN-XMTZNVEYSA-N 453.528 2.194 30 10 JEEE COc1ccc(C(=O)CSc2nnc(N/N=C/c3cc(OC)c(OC)c(OC)c3)n2N)cc1 20827161 PUWGZOKFIODAAM-FOKLQQMPSA-N 472.527 2.447 30 10 JEEE COc1ccc(OC)c(N2C(=NC(=O)c3ccc4c(c3)OCO4)S[C@H]3CS(=O)(=O)C[C@@H]32)c1 254307596 LNHTVJZVQZZTNM-KXBFYZLASA-N 476.532 2.348 30 10 JEEE C=CCN(C(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1nc(C(=O)OCC)cs1 501958377 YIKDDOXGHZOKGK-UHFFFAOYSA-N 493.607 2.493 30 10 JEEE C=CCNC(=O)CN1CCN(C(=O)c2ccc3c(c2)C(=O)N(c2cc(C)ccc2C)C3=O)CC1 512717585 ABNPQOVXKGQDTJ-UHFFFAOYSA-N 460.534 2.164 30 10 JEEE CC1CCC(C#N)(N(C)C(=O)[C@@H](C)OC(=O)CCNS(=O)(=O)c2ccc(F)cc2)CC1 914291141 HTTZGEZGQRDSTO-ZGOJQLDESA-N 453.536 2.357 30 10 JEEE Cc1nn(CCO)c(C)c1C=NNc1nc(SCC(=O)Nc2nnc(SC(C)C)s2)n[nH]1 1084114669 KCLRJCKHCBFGIV-UHFFFAOYSA-N 496.648 2.139 30 10 JEEE C#CCC1(NC(=O)NCCCNC(=O)c2cc(OC)ccc2Br)CCOCC1 1226305604 IWPZRPDVZZCFCS-UHFFFAOYSA-N 452.349 2.449 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)NCCn2cnc(C#N)n2)C1 1248551732 CTTVZFBZVRGNFQ-QZTJIDSGSA-N 457.510 2.381 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)c1ccccc1F 1286296253 NLWYAGGDDNGZAD-VQIMIIECSA-N 463.579 2.186 30 10 JEEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1286300545 BBELLFWOEIPWRD-JKSUJKDBSA-N 496.431 2.359 30 10 JEEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 1286393623 FNUNRFHLLWXFKX-OAHLLOKOSA-N 475.621 2.006 30 10 JEEE C#CCN(c1nnc(CSc2ccc(C)cc2)n1C[C@@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1286398648 ZOZWVGJKFXRHKO-MOPGFXCFSA-N 461.657 2.456 30 10 JEEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(N2CCC(CO)CC2)cc1 1286415060 GSMPJHFXUBXTLG-UHFFFAOYSA-N 471.609 2.470 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2CCC(=O)NCCC)CC1 1286491146 HHDIQGFRCFVVQG-UHFFFAOYSA-N 472.540 2.029 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)CC(=O)N1CCOCC1 1286546373 IVPFMHHKTWFTQM-NZQKXSOJSA-N 496.612 2.423 30 10 JEEE C=CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC1(C(N)=O)CCOCC1 1286724015 CHEWONLUGRFFFS-UHFFFAOYSA-N 462.595 2.297 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC(F)F)cc1)C1CC1 1286737925 PDOVPOAFFFUVOU-SFHVURJKSA-N 483.541 2.416 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@@H]1c1nncn1C 1286792024 KJHBUTDFJUGINA-LJQANCHMSA-N 450.547 2.246 30 10 JEEE C=CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(CCOC)CC1 1286831081 SXJPPRFAQAZOIK-UHFFFAOYSA-N 455.588 2.282 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CC1(C)CCOCC1 1288161202 DDJWSTBHLSUZQP-UHFFFAOYSA-N 465.602 2.427 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccccc1Cl)N(C)C 1300270370 BTPOTHXCDCYLQW-MPGHIAIKSA-N 453.012 2.303 30 10 JEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H](CC)N1CCCC1 1300512744 MHJHETAOAKMADT-HXUWFJFHSA-N 467.643 2.494 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)c1nc(-c2ccccc2)no1 1300557228 RDCVHTKZIFHWJR-ROUUACIJSA-N 481.582 2.205 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(F)cc2Br)n1CCNC(=O)c1cc[nH]n1 1300569253 IIHAVMYONTVZJX-UHFFFAOYSA-N 484.333 2.463 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(N3CCC(C)CC3)cc2)CC1 1300681643 WOACXCOLZMALLL-UHFFFAOYSA-N 463.630 2.456 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(OC)cc3)n2CC2(O)CCCC2)CC1 1300731835 XADWIPDUODTHKG-UHFFFAOYSA-N 467.570 2.137 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCNC(=O)c1ccco1 1300789450 MMDXJMLZOHCYAO-HSZRJFAPSA-N 467.551 2.364 30 10 JEEE C=CC1CCN(c2nnc(CN3CCCC3=O)n2CCCNC(=O)c2cccc(O)c2)CC1 1301130341 XFWSABVLZUWKQX-UHFFFAOYSA-N 452.559 2.329 30 10 JEEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(O)(C(F)(F)F)CC1 1301137634 UDBWUCXCVTYCDA-ZDUSSCGKSA-N 453.531 2.384 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC(C(=O)Nc3ccccc3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1301518922 KXQDSDQTVGQYRB-AREMUKBSSA-N 496.612 2.476 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1358985884 JIMBOIOAKSEZKA-QFQXNSOFSA-N 478.597 2.062 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cn(C)c3ccccc23)n1C[C@H]1CCCCS1(=O)=O 1359022679 JCKLASZLVGZVLG-GOSISDBHSA-N 455.584 2.490 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCC[C@@H]1OC 1359023430 KIVSCDIHXLFAAK-XLIONFOSSA-N 450.543 2.093 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(OCC)c1 1359070136 GDNSSOGAVRZCFH-NFBKMPQASA-N 473.599 2.050 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOCC)[C@@H](CC)C1 1359100029 WBJIMVOEFFYTRH-CZYKHXBRSA-N 495.690 2.099 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)O[C@@H](COC)C1 1359104476 BRZGHMPBHVDJFM-ZJKGHYPUSA-N 450.580 2.223 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNC(=O)C(C)(C)C 1359256451 GAMYYLLGIZMPFP-FQEVSTJZSA-N 484.626 2.407 30 10 JEEE CC(C)(Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1)N1CCCCC1 1359593851 DASMZVGUTIKUMR-UHFFFAOYSA-N 471.631 2.163 30 10 JEEE C#CC[C@@H]1CCCN(C(=O)c2ccc(Br)c(S(=O)(=O)N3CCOCC3)c2)C1 1461141644 STPHLLMSDCDXLG-OAHLLOKOSA-N 455.374 2.346 30 10 JEEE Cc1ccc(S(=O)(=O)NCCn2c(-c3cnccn3)nnc2N2CCC(CC#N)CC2)s1 1492437455 APZIZMLOHSSDJG-UHFFFAOYSA-N 472.600 2.214 30 10 JEEE CN(C)C1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)CCC1 1503389559 GVAABXBNSGXKBP-FQEVSTJZSA-N 472.615 2.226 30 10 JEEE C#CCCCn1c(N2C[C@H](C)[C@@H](N3CCCN(C(C)=O)CC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1507598157 CLPLNVCOPJHQFD-RZPFDVGOSA-N 486.661 2.111 30 10 JEEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1c(C)sc(C)c1Br 1507601390 POHKUIYKDVVTDU-SNVBAGLBSA-N 460.423 2.447 30 10 JEEE C#CCN(C)c1nnc(COc2ccccc2F)n1CC1(N2CCOCC2)CC(OCC)C1 1507618801 QBWBLFWXNPZUOO-UHFFFAOYSA-N 457.550 2.336 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc3ccccc3n2)n1C[C@H]1CC(=O)N(CCOC)C1 1507669310 VOAGQGBSSVIFFA-FQEVSTJZSA-N 456.550 2.451 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CCOCC)CCC1 1507772408 KFPMYCMMYMVGCW-DENIHFKCSA-N 479.647 2.200 30 10 JEEE C=C(Br)Cn1c(-c2ccccc2OC)nnc1N1CCO[C@H](CNC(C)=O)C1 1507783591 GJSWMMRTZBIOPL-OAHLLOKOSA-N 450.337 2.204 30 10 JEEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C[C@H]2CCOC2)CC1 1507791256 JVXZIKKPNQOAGB-SQNIBIBYSA-N 470.412 2.069 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCN2CCOC[C@H]2C1 1508092699 FWNHTTZKYRDTNI-QGZVFWFLSA-N 463.007 2.047 30 10 JEEE CN(CCC1CC1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1517280430 FCSXWZJITJBSFI-LJQANCHMSA-N 458.588 2.247 30 10 JEEE CC(C)N(C)S(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c1 1534303809 FGXUZCFDUCZBFM-KRWDZBQOSA-N 450.561 2.301 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2C[C@@H]2CCO[C@@H](C)C2)c1 1539046055 LUCLORYKTKFJDY-AZUAARDMSA-N 464.570 2.272 30 10 JEEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCCN(C(C)=O)CC1 1539052143 NCQDBOGXSWFLAJ-UHFFFAOYSA-N 472.615 2.058 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@](C)(O)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1539212590 VZVUAUBGQTZNGV-AUSIDOKSSA-N 459.616 2.242 30 10 JEEE C#CCN(c1nnc(C2CCCC2)n1Cc1ccc(NC(N)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1539220790 LSLAMLZAGOJOHE-LJQANCHMSA-N 456.572 2.101 30 10 JEEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCN1CCC[C@H](C)C1 1539272762 ATFFVZFPBKONFW-VWLOTQADSA-N 473.669 2.448 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](CC)c1ccccc1 1539325676 LNYNWLINVUEIAO-RBBKRZOGSA-N 469.611 2.268 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CCC(=O)NC2CCCCC2)CC1 1539476525 ZQUFFBRUOGTSRI-UHFFFAOYSA-N 463.586 2.145 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@H](C)CC(N)=O 1539621076 PHMSVUPUEIFQCA-SYNHAJSKSA-N 461.588 2.030 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1cccc(F)c1)N(C)C 1539669851 VKUGGNATDCDJGU-NHCUHLMSSA-N 494.637 2.455 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1539917573 FPHKWLLDCQMSJZ-PZJWPPBQSA-N 465.602 2.180 30 10 JEEE CCS(=O)(=O)N(C)CCCn1c(CC2CC2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1548327765 AFDMFZTWIDJMIP-UHFFFAOYSA-N 489.621 2.240 30 10 JEEE C=C(C)C[C@H](NC(C)=O)C(=O)N1CCN([C@@](C)(CO)c2ccc(Br)cc2)CC1 1558685656 YJVZOTDUPOOFIX-FPOVZHCZSA-N 452.393 2.272 30 10 JEEE C=CCC1(NC(=O)CN2C(=O)N[C@](C)(c3ccc(Br)cc3)C2=O)CCOCC1 1585719756 QOWJEBFOLIDREL-LJQANCHMSA-N 450.333 2.458 30 10 JEEE C#CCCCCn1c(Cc2ccccc2OC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1587773881 YMRRLUITIAFYIE-IBGZPJMESA-N 450.543 2.154 30 10 JEEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(C(N)=O)CCCC1 1588400124 WVFLNUJPEKXSHH-QGZVFWFLSA-N 460.579 2.092 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCc2ccc3[nH]ccc3c2)CC1 1588885316 VFBAIYIVXBBENI-UHFFFAOYSA-N 461.570 2.106 30 10 JEEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1589134237 HLZKNWPNFSUCFF-ZVDOUQERSA-N 471.631 2.264 30 10 JEEE C=C(C)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC(CC(=O)NC)CC1 1589715551 NUNZTWMTRJTFQW-UHFFFAOYSA-N 459.620 2.475 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@H](C)c1ccc([S@](C)=O)cc1 1595466134 FHURVWCPYOZECM-RZCFMFBHSA-N 481.582 2.162 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 1595496854 IUSBWTOSTNMPFE-QGZVFWFLSA-N 470.530 2.177 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1595517426 YEVYGWKVTMAGCC-IBGZPJMESA-N 451.575 2.138 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCC(N(C)C(=O)OCC)CC1 1595523300 SIPDTIPSOJRCCF-UHFFFAOYSA-N 456.547 2.313 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)C(C)C 1595658883 MFHVGDLXZYYZIE-HXUWFJFHSA-N 463.604 2.459 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCCN(c2cc(OC)cc(OC)c2)CC1 1595788498 BFDIJNNEGLVZAQ-UHFFFAOYSA-N 475.615 2.490 30 10 JEEE C=CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@](C)(C(N)=O)C1 1595884785 SUZRMIXQZZOXQZ-AOMKIAJQSA-N 480.635 2.207 30 10 JEEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(C(N)=O)CCOCC2)C[C@@H](C(F)(F)F)O1 1612908784 AYKJVRQNUVRVIY-YOEHRIQHSA-N 478.475 2.255 30 10 JEEE C#CCC1(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)c2)CCOCC1 1616762132 HCAYOOHKBUKCBF-HZPDHXFCSA-N 454.976 2.440 30 10 JEEE C=CCOC[C@H](NC(=O)c1cccc(NS(=O)(=O)c2ccc(C)c(F)c2)c1)C(=O)OC 1617949255 ALSNOODPOJIHFO-IBGZPJMESA-N 450.488 2.409 30 10 JEEE C#CCN(C(=O)N[C@@H](C)c1cc2c(cc1Br)OCCO2)[C@@H]1CCS(=O)(=O)C1 1675471048 NSSJMGKGFOBZOC-QWHCGFSZSA-N 457.346 2.113 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](C)c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1689978504 WWPUIWCSUJAHNG-YLJYHZDGSA-N 496.568 2.495 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H](C)Oc1ccccc1F)[C@H]1CCS(=O)(=O)C1 1689990110 LPWRRZCHPCWOET-OTWHNJEPSA-N 476.574 2.405 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cn(C)c3ccccc23)n1C[C@@H]1CC(=O)N(CCOC)C1 1690043242 UVFKAQDAYAOTNV-HXUWFJFHSA-N 458.566 2.395 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccnc2)n1CC1(O)CCS(=O)(=O)CC1 1690090107 WMHQJGOHXCJRGI-UHFFFAOYSA-N 469.542 2.059 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCCCN2C[C@H](C)C[C@@H](C)C2)CC1 1690109039 DNTQOTNANWXEHN-FGZHOGPDSA-N 455.651 2.027 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@H](C)CN2CCCC2)CC1 1690114636 BJFIIRYACWACFH-HXUWFJFHSA-N 482.629 2.458 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CCCS(=O)(=O)c2ccccc2)CC1 1690150796 VPNVWUZFZZDAAI-UHFFFAOYSA-N 469.611 2.060 30 10 JEEE C=C(C)Cn1c(N2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)nnc1[C@]1(OCC)CCOC1 1690297692 CGRFRPUNASBJGG-UGKGYDQZSA-N 467.636 2.337 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ccc(F)cc2)CC1 1690411117 FMWCZZCSMBDHPO-FQEVSTJZSA-N 463.579 2.395 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@@H]1c1cnn(C)c1 1690665638 KRUAWHCPDAFILR-GOSISDBHSA-N 451.531 2.340 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@H](C)C1 1690717352 CSBQQURCJVTEAK-QGZVFWFLSA-N 481.644 2.033 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1ccoc1 1690723806 BLIPDZUOAXSPNF-GOSISDBHSA-N 495.602 2.417 30 10 JEEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(OCCOC)CC1 1705532598 OZSIGSZDLUHKCS-UHFFFAOYSA-N 453.591 2.497 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1705709351 NUVGPSIXPDFQSK-XMSQKQJNSA-N 455.559 2.464 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@H](C(=O)OC)C1 1705932942 PBMFIEVZURAOCZ-SFHVURJKSA-N 469.567 2.484 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2OC)nnc1N1CCOC(C)(C)[C@H]1C 1705937747 CXLNUVWOSHYBJV-QGZVFWFLSA-N 464.588 2.470 30 10 JEEE CCOC1(Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3nccnc3C#N)C[C@H]2C)CCCC1 1710491674 BBKSKVRSNNORRU-GOSISDBHSA-N 481.605 2.142 30 10 JEEE C#CCN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H](C)SC)[C@H]1CCS(=O)(=O)C1 1722359367 SEXJCTZXKIWZLX-YJBOKZPZSA-N 496.058 2.240 30 10 JEEE C#CCSCCn1c(-c2ccc(F)cc2Br)nnc1N1CCO[C@H](C(=O)NC)C1 1722453838 DAQCQGGAXXZYGK-INIZCTEOSA-N 482.379 2.164 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1722494887 SUSBUIZNGVSYAX-PZJWPPBQSA-N 471.606 2.325 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2)nnc1N1CCC(OCC(N)=O)CC1 1722497265 UASVMCBMCMDARH-XMSQKQJNSA-N 455.559 2.406 30 10 JEEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1Cc1ccccc1 1722538312 WSJXFQMHUBMQMA-VXKWHMMOSA-N 489.642 2.415 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCc2c(F)cc(F)cc2C1 1722690086 FKFCMRLZBAERGY-UHFFFAOYSA-N 453.453 2.069 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCCC2(C)C)C1 1722719590 WXLCSCLBDAPHFA-QRVBRYPASA-N 467.636 2.219 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCC(C)(COC)CC1 1722728740 AWPUYTWQMMMXFL-UHFFFAOYSA-N 472.615 2.370 30 10 JEEE CC(C)(C)[S@](=O)CCn1c(-c2cccc(C#N)c2)nnc1N(CCS(C)(=O)=O)C1CC1 1723018861 FKFQTAGQAADBAH-SSEXGKCCSA-N 463.629 2.377 30 10 JEEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1cnn(-c2ccccc2)c1 1723778132 CYBHQQLLPFSIII-IEBWSBKVSA-N 453.572 2.347 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1Cc1c(CC)nn(C)c1OC)[C@@H]1CCS(=O)(=O)C1 1740625582 OLVKEMYMVRVKOU-HXUWFJFHSA-N 496.637 2.157 30 10 JEEE C#CCN(c1nnc(COCC)n1C[C@@H](CC)N1CCc2ccccc2C1)[C@@H]1CCS(=O)(=O)C1 1740627254 FTRGNWMFCNOECU-DHIUTWEWSA-N 485.654 2.278 30 10 JEEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1C[C@@H](C1CC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1740628902 WEIJTXJTOKIVLM-YADHBBJMSA-N 485.654 2.441 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N(C)C)nc1 1740676756 LONGQVAJBQEOLT-FQEVSTJZSA-N 482.585 2.468 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC[C@H]1COCCO1 1740685766 QRLFJWNSHCVYPQ-UXHICEINSA-N 477.606 2.284 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccc(C[S@@](C)=O)cc2)CC1 1740692277 ICAAOMSJYIUWBZ-QCBOHVIISA-N 485.654 2.001 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCc2c(F)cccc2F)CC1 1740700551 CIHXEWDIYXARMO-UHFFFAOYSA-N 493.518 2.412 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C(CC)CC)N1CCOCC1 1740726228 ZJAMFESYQFRJPA-QMHWCDLVSA-N 480.679 2.017 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(S(=O)(=O)CC)CC1 1740751529 LIHYEXVWAZZSTQ-YLJYHZDGSA-N 488.614 2.310 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CCCS(C)(=O)=O 1740754849 WJPTVZIODGZELE-AZUAARDMSA-N 496.655 2.201 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(c2ccnc(C)n2)CC1 1740778614 NUIVYKFHFXYFGN-UHFFFAOYSA-N 453.572 2.350 30 10 JEEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@H](SCC)C1 1740792026 DFJJJWJLGINTOX-RBUKOAKNSA-N 487.692 2.316 30 10 JEEE C=CCCOCCn1c(-c2ccc(C)o2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1740883988 LQUDVUOOAIFSMV-WIYYLYMNSA-N 456.591 2.428 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCS(=O)(=O)Cc1ccccc1 1748641606 IREQINMEGPVYJE-AUSIDOKSSA-N 460.600 2.392 30 10 JEEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 1748698325 UDRGTSTXWBUHNZ-UHFFFAOYSA-N 472.615 2.121 30 10 JEEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1748745907 YZKWSQCDGOVYRV-QGZVFWFLSA-N 478.644 2.055 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1Cc1nnc(CC)s1)[C@@H]1CCS(=O)(=O)C1 1748809836 WNUGWLOKXIUMTJ-MRXNPFEDSA-N 472.596 2.043 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1748810503 XEQHEAUPQGNPHN-DOTOQJQBSA-N 466.007 2.184 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@H]1C[C@H](C)O[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1748815654 SONBPEMCTWJNKT-WPVAHCMFSA-N 450.605 2.350 30 10 JEEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccccc2OC(F)(F)F)CC1 1748994593 KRLVDWRVSQHRJG-UHFFFAOYSA-N 462.476 2.103 30 10 JEEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@H](OCC=C)C1 1749032786 PRPBSJAEFVQKMC-QGZVFWFLSA-N 450.568 2.340 30 10 JEEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 1749049704 PBKPWWQROAXLCD-FPOVZHCZSA-N 487.601 2.470 30 10 JEEE C=C(C)COCCn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1749232310 JQIYXKVVZFYMQO-JOCHJYFZSA-N 470.593 2.344 30 10 JEEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCc1ccccc1OC 1749269793 WNUXQNQGKPTHEB-GOSISDBHSA-N 469.995 2.051 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(OC)ccc1OC(F)F 1760115670 BKUQJCZPTOZEES-KGLIPLIRSA-N 454.499 2.296 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCOc1ccc(Cl)cn1)[C@@H]1CCS(=O)(=O)C1 1760186825 GRAMVMWFQMJMKS-QZTJIDSGSA-N 479.990 2.274 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCOc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1760192802 OBXQISDSXMGXDY-ONTIZHBOSA-N 488.610 2.016 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2)n1CC1(NC(=O)OC(C)(C)C)COC1 1760199523 XZZPXJMWPMREAM-UHFFFAOYSA-N 451.527 2.320 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H]2CN(CC(C)C)CCO2)CC1 1760256084 LENZRYSWWXSZBR-FQEVSTJZSA-N 458.010 2.106 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CCCC=C)CC1 1760265869 KQFWUAXPRQNXQI-UHFFFAOYSA-N 483.642 2.479 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2CCN(CC)C2)CC1 1760267204 VEKVPWMDAFFJTL-MRXNPFEDSA-N 488.434 2.343 30 10 JEEE C#CCSCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1760280068 HOHNRRZSUXYHGA-ROUUACIJSA-N 490.630 2.400 30 10 JEEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1760280468 QMJZBPIFVGTQRR-OAHLLOKOSA-N 460.560 2.087 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)Nc1c(C)cccc1C 1760280530 GLWVAPZOEJEUOX-SFHVURJKSA-N 475.640 2.238 30 10 JEEE C=CCC(C)(C)Cn1c(CC2CCCC2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1760415415 YGDKWSUBBLZSNP-UHFFFAOYSA-N 472.634 2.121 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2nc(C(C)C)cs2)C1 1760535647 UWUCYSLZLCVXPJ-HUUCEWRRSA-N 454.622 2.298 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(C)C(=O)[C@H]1C 1760548449 GVSSBUFTCHBPAY-HZPDHXFCSA-N 482.006 2.339 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@H](C(=O)NC)C1 1760551571 KPVMYGCESNMQMT-CQSZACIVSA-N 469.970 2.301 30 10 JEEE CC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1)OC 1762343516 HQBNRBWVUBGXJF-HXUWFJFHSA-N 460.604 2.492 30 10 JEEE CCN(c1nnc(COc2ccc(C#N)cc2)n1CC1([S@](C)=O)CCC1)[C@H]1CCS(=O)(=O)C1 1764823327 HCPYLBSZBAHEMV-UPTQXZAWSA-N 491.639 2.043 30 10 JEEE CCOC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)NC(C)C)C1 1767304212 FPFVMCFNJSMWEQ-LJQANCHMSA-N 453.547 2.446 30 10 JEEE CCS(=O)(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCc2cnn(C)c2)CC1 1768207166 CIRIGWIIZFUAMT-UHFFFAOYSA-N 497.625 2.499 30 10 JEEE NC(=S)N/N=C\c1cn(-c2ccc(N3CCOCC3)cc2)nc1-c1ccc2c(c1)OCCO2 1857807633 SWKDHVLEASXLCZ-QFEZKATASA-N 464.551 2.314 30 10 JEEE C=CCNC(=O)[C@@H]1CCCN1C(=O)c1ccc2c(c1)C(=O)N(Cc1ccc3c(c1)OCO3)C2=O 1861508389 OBRCADFCNSPKJF-IBGZPJMESA-N 461.474 2.118 30 10 JEEE COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CCCNC=O)cc1OC 1862633540 MJOSIQZUTXWUPQ-NRFANRHFSA-N 468.462 2.147 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1 1862697526 MCELYEOSCZXWAO-NRFANRHFSA-N 484.505 2.435 30 10 JEEE COc1ccc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2CCCNC=O)cc1OC 1862759625 WBTNWKFCPMABIJ-FQEVSTJZSA-N 469.450 2.326 30 10 JEEE C[C@@H](NC(=O)C[C@H](c1cccc(Br)c1)c1nn[nH]n1)C(=O)Nc1ccc(C#N)cc1 1867248067 UZGHBYIRYDFYNR-SJKOYZFVSA-N 468.315 2.499 30 10 JEEE C=CCN(CC=C)c1nc(NC(=O)/C=C/c2ccc(C(=O)OC)cc2)n([C@H]2CCS(=O)(=O)C2)n1 1870004694 IAXKVLJDCYVQQU-BLRBJFNZSA-N 485.566 2.255 30 10 JEEE N#Cc1nnn(Cc2cc([N+](=O)[O-])cc3c2OCOC3)c1NC(=O)Cc1ccccc1[N+](=O)[O-] 1870110013 VRWYCJRDCRITPK-UHFFFAOYSA-N 465.382 2.062 30 10 JEEE C=CCNC1=C(c2ccccc2Br)C(=O)N(Cc2ccc(S(N)(=O)=O)cc2)C1=O 1873070273 RFJTYCUOYSKLTJ-UHFFFAOYSA-N 476.352 2.152 30 10 JEEE COC(=O)c1ccc(/C=N/n2c(CNC(C)=O)nnc2SCc2ccc(C(=O)OC)o2)cc1 1874433129 FTPGYIDLERDTEU-AUEPDCJTSA-N 471.495 2.255 30 10 JEEE CCN1CCN(CC#CCOC2CCN(C(=O)c3cnn4ccc(C(F)(F)F)nc34)CC2)CC1 1889485904 BMMMAHDWSNHZHG-UHFFFAOYSA-N 478.519 2.010 30 10 JEEE CN(CC1CCN(C(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)CC1)c1ncccc1C#N 1891807992 IYRUJOBDZONZJE-IBGZPJMESA-N 461.522 2.410 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]1NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2247881282 VETHALXCJHSYPH-KGLIPLIRSA-N 458.411 2.381 30 10 JEEE Cn1cc(C(=O)NC2CCN(C(=O)OCc3ccccc3)CC2)nc1B1OC(C)(C)C(C)(C)O1 2255648507 CTBLGLMUHZEBIL-UHFFFAOYSA-N 468.363 2.250 30 10 JEEE CO[C@H]1C[C@](NC(=O)OC(C)(C)C)(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C1 2256681445 LERYIYKRCVLRTR-KWUMSVIQSA-N 453.370 2.453 30 10 JEEE CC(C)(C)OC(=O)NC1(CO)CCN(c2nccc(B3OC(C)(C)C(C)(C)O3)c2F)CC1 2266056475 AZLXWVKQDTXMLN-UHFFFAOYSA-N 451.348 2.376 30 10 JEEE CN(C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)[C@@H](CNC(=O)OC(C)(C)C)C(F)(F)F 2267139728 KIGTZCHXSKWIMJ-LBPRGKRZSA-N 462.278 2.237 30 10 JEEE C=C(CS(=O)(=O)NCCN1CCCN(C(=O)OC(C)(C)C)CC1)B1OC(C)(C)C(C)(C)O1 2267464620 PZDOIJMPMRGIEG-UHFFFAOYSA-N 473.445 2.036 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](NS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2267473550 HPICFVZJWJDBRV-ZIAGYGMSSA-N 487.453 2.308 30 10 JEEE Cc1nn(C)c(C(=O)NCC[C@H](C)N(C)C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267509453 WFQFRTQOSDCOBF-AWEZNQCLSA-N 450.389 2.403 30 10 JEEE CC(C)(C)OC(=O)NC[C@]1(O)CCCN(C(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)C1 2267556149 UTIQRZLGCWWHSQ-JOCHJYFZSA-N 450.341 2.071 30 10 JEEE CC1(C)OB(c2cncc(C(=O)N[C@@H]3CCOC[C@@H]3NC(=O)OCc3ccccc3)c2)OC1(C)C 2267587964 FFTIXDLJGHYVGB-RTWAWAEBSA-N 481.358 2.195 30 10 JEEE CC(C)(C)OC(=O)N1[C@H](COc2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)CCS1(=O)=O 2267824270 GVLOSESCIABCER-AWEZNQCLSA-N 468.381 2.286 30 10 JEEE Cc1c(C(=O)NC[C@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281990058 ICZYGLGXYKUOHI-CVEARBPZSA-N 462.400 2.451 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1CCC[C@@H]1NC(=O)OC(C)(C)C 2282006547 WKBZYRLTKIFMIL-CVEARBPZSA-N 462.400 2.451 30 10 JEEE CCn1cc(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 2282007480 CFDPSYQHULIFNL-GJZGRUSLSA-N 466.363 2.280 30 10 JEEE CC1(C)OB(c2cnsc2C(=O)N2C[C@@H](CNC(=O)C(F)(F)F)C3(CCC3)C2)OC1(C)C 2282016173 URNYNEDWUMHNKA-GFCCVEGCSA-N 473.326 2.363 30 10 JEEE C[C@H](NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 2282042768 FIBCYEZRVRFAKL-JKSUJKDBSA-N 462.400 2.485 30 10 JEEE CC(C)[C@H](CCN(C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)NC(=O)OC(C)(C)C 2282179853 OXPPXAXIGGYRHO-HNNXBMFYSA-N 465.404 2.126 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](CCNS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282287535 ARFITQFYARBJIV-MRXNPFEDSA-N 481.424 2.306 30 10 JEEE CC1(C)OB(c2ccc(F)cc2C(=O)NC[C@H]2CNCCN2Cc2ccccc2)OC1(C)C 2282397974 VASLPACLTJVJHS-HXUWFJFHSA-N 453.367 2.329 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@H]2CCN(C(=O)c3coc(B4OC(C)(C)C(C)(C)O4)c3)C[C@H]21 2282531917 POTLKZDLZXDJQE-IAGOWNOFSA-N 462.352 2.429 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(C(=O)OC(C)(C)C)[C@H]2CC[C@H]21 2282582717 ZGYSFPYDXVHREF-SJORKVTESA-N 460.384 2.426 30 10 JEEE CN1CCC(CNC(=O)OC(C)(C)C)(NC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)CC1 2282617752 IKPWSCCFXPHLNW-UHFFFAOYSA-N 480.440 2.161 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H]2CCN(C(=O)c3nccnc3B3OC(C)(C)C(C)(C)O3)C[C@H]21 2283068410 LZMFBDXWSFVIAF-HZPDHXFCSA-N 458.368 2.247 30 10 JEEE CO[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2283926690 RAOVJYJWYUGJPE-GJZGRUSLSA-N 481.424 2.331 30 10 JEEE CN(C(=O)OC(C)(C)C)[C@]1(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)CCOC1 2283972506 MSKWDSFTIRDVST-JOCHJYFZSA-N 465.331 2.484 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCCN(CC(=O)O)Cc2ccccc2)n1 2284340206 VSZBULKUDAMHQS-UHFFFAOYSA-N 453.348 2.006 30 10 JEEE CCOc1ccccc1C=NNc1cnn([C@H]2CCS(=O)(=O)C2)c(=O)c1Br 2322659837 UJZZILBPOSBBNA-ZDUSSCGKSA-N 455.334 2.210 30 10 JEEE COc1ccc(N2C[C@@H](c3nnc(SCC(N)=O)n3N=Cc3cccc(F)c3)CC2=O)cc1 2325880706 RZJLXIKLKXOMLJ-HNNXBMFYSA-N 468.514 2.406 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@@]12COCCN(C(=O)[C@@H]1C[C@H]1B1OC(C)(C)C(C)(C)O1)C2 2359280267 LKRBRPJHUIKZMT-SEPYTNNBSA-N 466.384 2.334 30 10 JEEE Cc1nc(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)n1C 2362338189 CJADJTTVCBJKQE-GJZGRUSLSA-N 466.363 2.105 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@]12CCC[C@@H]1CN(C(=O)OC(C)(C)C)C2 2362343472 GXJLMOUKXZFOBZ-IQMFZBJNSA-N 460.384 2.239 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1[C@@H]2CCCCN(C(=O)OC(C)(C)C)[C@@H]21 2362356081 NYLGHUQNFYSFBI-XHSDSOJGSA-N 460.384 2.237 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@]2(CNC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C1 2362566167 FOXFTFDIFLENIT-RCDICMHDSA-N 479.408 2.198 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@H]2C[C@@H](NC(=O)c3csnc3B3OC(C)(C)C(C)(C)O3)C[C@@H]21 2368862247 AOZPDJKIMKKWCX-CWRNSKLLSA-N 479.408 2.339 30 10 JEEE C/C(=N\Nc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@H](O)COc1ccc(C)cc1)c1ccccc1 107133395 LFVAFDYHHSQWJA-NLTKLDOMSA-N 462.510 2.008 30 10 JEEE Cc1cc(C)nc(SC2=C(N3CCN(c4ncccn4)CC3)C(=O)N(c3ccccc3C#N)C2=O)n1 526699776 MBQVRUCUZHSIIL-UHFFFAOYSA-N 498.572 2.454 30 10 JEEE O=C(CSc1n[nH]c(NN=Cc2cc(Cl)ccc2O)n1)Nc1ccc2c(c1)C(=O)NC2=O 1084422571 GAGINMODIKSNNY-UHFFFAOYSA-N 471.886 2.224 30 10 JEEE Cc1nn(CCO)c(C)c1C=NNc1nnc(SCC(=O)Nc2ccc(Cl)cc2Cl)n1N 1084567067 ITLZXTDSNSQDLR-UHFFFAOYSA-N 498.400 2.281 30 10 JEEE CCn1cc(-n2c(=C(C#N)C(=O)c3ccccc3C)sc(=Cc3cnn4ccccc34)c2=O)cn1 1116000889 PLWGLRNVRMEPPZ-UHFFFAOYSA-N 480.553 2.458 30 10 JEEE C=CCNC(=O)c1ccc(NC(=O)CN2C(=O)N[C@](C)(c3cc(C)ccc3OC)C2=O)cc1 1125250725 VYIDZVZMUGRZNL-XMMPIXPASA-N 450.495 2.325 30 10 JEEE CC(C)(C)OC(=O)N(CC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N)C[C@H]1CCCO1 1265833379 DCJPEHMAUCWNED-DLBZAZTESA-N 452.552 2.374 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C(C)C 1286349981 RRMYQHVVMZQJFE-FQEVSTJZSA-N 490.586 2.348 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCc1cc(C)cc(C)c1)[C@H]1CCS(=O)(=O)C1 1286383069 VKOINCZHXNIZAR-NRFANRHFSA-N 492.605 2.412 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2)n1C[C@@]1(N2CCOCC2)CCSC1 1286404839 YNKKDTMSDGXTBG-DEOSSOPVSA-N 451.596 2.234 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccccc2OC)n1CC1(NC(=O)OC(C)(C)C)COC1 1286417080 WKZCEDQUOKIZBY-UHFFFAOYSA-N 481.553 2.232 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CC[C@@H]2CCO[C@@H](C)C2)CC1 1286493377 UVKKDODWOICKOE-LEWJYISDSA-N 467.618 2.311 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1286556055 AZCULHMMQVOGKJ-KNKQGSTJSA-N 474.631 2.011 30 10 JEEE C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC(NS(C)(=O)=O)CC1 1286584847 UNDXHWRZIBLPHL-UHFFFAOYSA-N 457.398 2.140 30 10 JEEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](Cn2cccn2)C1 1286630349 SCTBIHFUAUDQSJ-MSOLQXFVSA-N 493.996 2.441 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)O[C@H](CC)C1 1286671985 DKOYJJVESZOHOV-KSZLIROESA-N 455.625 2.217 30 10 JEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 1286692757 HMXBXPTUSHNDAQ-YJBOKZPZSA-N 479.582 2.394 30 10 JEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCSc1ccc(C)cc1 1286726094 AYUGXOAGVRMERD-GOSISDBHSA-N 451.618 2.334 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(N3CCOCC3)cc2)C1 1286798062 HDQDKGKKWKLDNH-OAQYLSRUSA-N 454.575 2.083 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCC(NC(=O)NC2CCCCC2)CC1 1286819442 KWOASOCLUOAYME-UHFFFAOYSA-N 464.636 2.357 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N(C)CC(=O)Nc1cccc(Cl)c1 1286820875 UMIKVVFXKBTIKT-HNNXBMFYSA-N 467.979 2.111 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1Cc1cn(C)nc1-c1ccccc1 1288816358 CVTDVMJMGGNYLR-QGZVFWFLSA-N 482.614 2.467 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@](C)(O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1300482500 GIUOFZUCLQFXQE-CVDCTZTESA-N 454.552 2.381 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1Cc1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1300498451 KJRLLNWAOILZBO-HXUWFJFHSA-N 453.568 2.457 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(OC)nc1)[C@@H]1CCS(=O)(=O)C1 1300504384 MXBZXXAQPUIKQX-SFHLNBCPSA-N 487.626 2.275 30 10 JEEE C#CCSCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@@](C)(C(N)=O)C1 1300760483 CGJZWUOWXMAWFH-HSZRJFAPSA-N 476.647 2.461 30 10 JEEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1300760539 DHCQRTGIBLEVGQ-IBGZPJMESA-N 454.604 2.126 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCCCC2)nc1 1300780541 SKVFAUZUDUTUIN-WZONZLPQSA-N 471.631 2.314 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)NCCC)CC1 1300863439 OEXGOIWQDCSZTN-UXHICEINSA-N 458.607 2.238 30 10 JEEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(=O)c2cccc(C)c2)CC1 1300928592 HWNOLXLHVZXFPU-SFHVURJKSA-N 460.604 2.125 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCCOC2)n1CC1(O)CCS(=O)(=O)CC1 1301403271 WZYLQACQBGYOJW-NRFANRHFSA-N 474.627 2.347 30 10 JEEE C=CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1301454284 RNMLSQTUXUNIKA-HNNXBMFYSA-N 451.531 2.481 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCN(C)C(=O)[C@H]1C 1301480583 AWTXBJLACZOHTP-LJQANCHMSA-N 461.570 2.322 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CCC(CC(N)=O)CC1 1301483997 ZCRJGNVQJLNDHR-UHFFFAOYSA-N 461.364 2.102 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccc1Cl 1301588772 JGKPKBLHGCYWKP-INIZCTEOSA-N 473.020 2.071 30 10 JEEE C[C@@]1(C#N)CCCN(c2nnc(-c3cnccn3)n2C[C@@H](N2CCOCC2)C(F)(F)F)C1 1303932982 DMVIMHIZZKVZOK-APWZRJJASA-N 450.469 2.128 30 10 JEEE C[C@@]1(C#N)CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2cccc(F)c2F)C1 1303939164 ACQUDEQKGQAFIR-AVRDEDQJSA-N 494.568 2.262 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1cnn(CCOC)c1 1358870327 KODUSBXWZIAHBB-MRXNPFEDSA-N 455.950 2.211 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1CC(=O)Nc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1358964834 IFNNQOHJDFZTRG-IBGZPJMESA-N 487.582 2.335 30 10 JEEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1nncn1-c1ccccc1 1358986468 XMOSIXGLKNRVIE-VWLOTQADSA-N 459.554 2.411 30 10 JEEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCOc1ncccc1F 1359006875 MDEQXXOSOGUPSU-UHFFFAOYSA-N 457.535 2.311 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(Br)c3)n2CC2(O)CC(OCC)C2)CC1 1359031241 VIUFKCBUOWGFQK-UHFFFAOYSA-N 474.403 2.393 30 10 JEEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2CCS(=O)(=O)CC)CC1 1359038748 IWCJCNGYKIXFPG-UHFFFAOYSA-N 473.643 2.479 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@H]1c1nncn1C 1359118463 KPXXWDUXUNLPBM-GOSISDBHSA-N 456.576 2.242 30 10 JEEE C=CCCOCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCN(C)C(=O)[C@H]1C 1359225682 HTDWHRZQKODZKH-GOSISDBHSA-N 479.585 2.496 30 10 JEEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(NC(=O)OC(C)(C)C)COC1 1359238060 XWTGSHBSLRAHJR-UHFFFAOYSA-N 481.557 2.108 30 10 JEEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@H]2CCCN2C[C@H]1C 1359301208 UZWPGOITEOLRRK-UYAOXDASSA-N 487.649 2.368 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N(C)C1CCC(NC(C)=O)CC1 1359304865 LZAIZXYZDZXEKL-UHFFFAOYSA-N 458.538 2.182 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1359333774 JLUPQEPIZGDHOV-SFHVURJKSA-N 471.587 2.015 30 10 JEEE C#CCN(CC(=O)N1CCN([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1)C(=O)OC(C)(C)C 1450825899 JIEMLHOIJJDWRB-SFHVURJKSA-N 450.580 2.010 30 10 JEEE CC[C@@H](NCCS(=O)(=O)c1ccc(C#N)cn1)c1ccccc1OCC(=O)N1CCCC1 1459850155 BRKJXCYWISLCAH-HXUWFJFHSA-N 456.568 2.469 30 10 JEEE C#CCNS(=O)(=O)N1CCN(Cc2cnc(-c3ccc(Br)cc3)s2)CC1 1474681246 AIZYLMLXLAUPLU-UHFFFAOYSA-N 455.403 2.158 30 10 JEEE CCN(CC)[C@H](C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@](F)(C#N)C1 1501973678 GLAMOXKUFDFQPG-VGSWGCGISA-N 477.610 2.368 30 10 JEEE C#CCN(c1nnc(-c2cc3ccccc3o2)n1CC[S@](=O)CC)[C@@H]1CCS(=O)(=O)C1 1507630012 YELHPTHIMXRWIE-BJLXPSRBSA-N 460.581 2.087 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1CCNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1507634313 JRNSWEDSXMRVOB-SFHVURJKSA-N 491.589 2.159 30 10 JEEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1C[C@H](N1CCOCC1)C(F)(F)F 1507671288 HFRPSGPQCXFIKY-FQEVSTJZSA-N 485.514 2.243 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1Cc1ccc(N2CCC(CO)CC2)cc1 1507709920 FBUMJWLIDJDJRI-UHFFFAOYSA-N 461.570 2.078 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2CCN2CCSCC2)CC1 1507743006 VIUIWLHOCDJGJL-UHFFFAOYSA-N 470.618 2.023 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 1507751805 REQPFDGULHIFKT-ZWKOTPCHSA-N 497.687 2.288 30 10 JEEE C=C(Br)Cn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@H](C(=O)NC)C1 1507788917 UOEJNCITIKINOK-HNNXBMFYSA-N 456.291 2.007 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)CCC1CC1 1507800916 ZMLDWAGENJTYHW-UFYCRDLUSA-N 467.636 2.219 30 10 JEEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1507936082 XPYSJZPFIIVXHG-PMACEKPBSA-N 492.690 2.106 30 10 JEEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(c2nc(CC)ns2)CC1 1508047748 HQDMYAPKOOTENE-UHFFFAOYSA-N 488.643 2.122 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@H](N2CCCC2)C1 1508072370 HUNRIKVEULFBAF-KRWDZBQOSA-N 476.423 2.413 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCN2CCOC[C@@H]2C1 1508092698 FWNHTTZKYRDTNI-KRWDZBQOSA-N 463.007 2.047 30 10 JEEE C=CCOc1ccccc1Cn1c(CN2CCCC2=O)nnc1N1CCCN(CC)C(=O)C1 1508109140 OUAIGKNHILKATR-UHFFFAOYSA-N 452.559 2.072 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2csc(-c3ccco3)n2)C1 1508118105 WRTGYNYVNIPTAF-GDBMZVCRSA-N 478.600 2.434 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccc2sccc2c1)[C@@H]1CCS(=O)(=O)C1 1539200975 UGHVCIZTYISSGN-GOSISDBHSA-N 471.608 2.306 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1CCc1ccc(F)c(F)c1)[C@H]1CCS(=O)(=O)C1 1539211627 MUVPMHATBCYDJW-KRWDZBQOSA-N 457.506 2.488 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2cscc2C)CC1 1539468805 ITYMATNCSSPYDC-QHCPKHFHSA-N 457.600 2.314 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H](C)N2CCC(C)CC2)CC1 1539490016 QTEYUGBQYPXZBI-PMVMPFDFSA-N 486.661 2.088 30 10 JEEE C#CCSCCn1c(-c2ccc(F)cc2Br)nnc1N1CCS(=O)(=O)CC1 1539504696 LVVZDQHLHWLTKU-UHFFFAOYSA-N 473.393 2.448 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1539534034 KAYHLDIZENDEDH-YADARESESA-N 484.626 2.421 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCOC2(CCOCC2)C1 1539614740 BNXJLIOCMNRNDH-UFYCRDLUSA-N 450.580 2.369 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CC(C)(C)C(=O)NC)C1 1540883924 HATOSWIKOWCDJY-KRWDZBQOSA-N 489.646 2.100 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCCN(c3ccccc3C#N)CC2)n1C[C@@]1(O)CCO[C@@H]1C 1545909414 GCBQUFODBBLRPU-BCHFMIIMSA-N 495.628 2.325 30 10 JEEE CCc1nc(CCn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CCO[C@@H](C#N)C2)no1 1546366143 DFCKAKDNUXFWNX-KRWDZBQOSA-N 450.503 2.064 30 10 JEEE C=CCN([C@@H](Cc1ccccc1)C(=O)OCC)S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 1561471341 WXDYEINYJOOLDP-FQEVSTJZSA-N 451.566 2.441 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2C[C@@H]2CCCCS2(=O)=O)c1 1587697351 ONEKUXDNSLCCHB-VQTJNVASSA-N 471.583 2.153 30 10 JEEE C#CCCCCn1c(Cc2cccnc2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1587773290 HNARAVFVSZHSGV-UHFFFAOYSA-N 462.558 2.125 30 10 JEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCOC[C@H]1CCOC1 1587988837 CKNSXHUWQRHMBY-RTBURBONSA-N 463.579 2.099 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CCSC1(C)C)[C@@H]1CCS(=O)(=O)C1 1588030402 ULRSJVXAOCPUJR-FUHWJXTLSA-N 481.688 2.355 30 10 JEEE C#CCN(c1nnc(CN2CCCC2=O)n1CC(C)(C)c1cccs1)[C@@H]1CCS(=O)(=O)C1 1588069710 SRUJDSUBOFCISR-QGZVFWFLSA-N 475.640 2.067 30 10 JEEE C=C(Cl)C[C@H](NC(=O)[C@@H]1CC(=O)N(c2cc(OC)c(OC)c(OC)c2)C1)C(=O)OCC 1588121539 GIBZSDXVEXIUKT-HIFRSBDPSA-N 454.907 2.256 30 10 JEEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(=O)c2cc(C)oc2C)CC1 1589708240 HMMFKJOKQOYELZ-OAHLLOKOSA-N 464.592 2.073 30 10 JEEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1593741296 MBJDHKRXIGZXPD-SFHVURJKSA-N 453.543 2.497 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1595805197 LVDGBLPXKBHXOO-BSRJHKFKSA-N 478.590 2.382 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CC[C@@H](C(=O)N(C)c2ccccc2)C1 1595811775 ADWRMBVAAFFTHI-LJQANCHMSA-N 457.600 2.321 30 10 JEEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCOC[C@H]2OC)C[C@@H]1C 1619937246 DWIRSPXIQLXIFV-YUXAGFNASA-N 454.575 2.025 30 10 JEEE C#CCN(C(=O)NCc1ccc(CNC(=O)OC(C)(C)C)cc1F)[C@H]1CCS(=O)(=O)C1 1674133925 LVBAMCDHVDNMBQ-KRWDZBQOSA-N 453.536 2.182 30 10 JEEE N#Cc1cn(CCNC(=O)N[C@@H]2CCCc3nc(-c4ccc(F)cc4)sc32)c(=O)nc1O 1677175270 FFFVORJMNIQQMQ-MRXNPFEDSA-N 454.487 2.460 30 10 JEEE C#CCN(C(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1)[C@H]1CCCc2ccccc21 1677957596 SFWCPALUAXFAQL-QFIPXVFZSA-N 455.584 2.296 30 10 JEEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCNC(=O)C(C)(C)C 1689861066 NMZDSKHKLUUJIR-NRFANRHFSA-N 465.646 2.263 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1Cc1ccc(COCC)cc1)[C@@H]1CCS(=O)(=O)C1 1689986279 MIAMSKPYDLPMNO-OAQYLSRUSA-N 467.595 2.495 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCO[C@@H]1C(C)C)[C@H]1CCS(=O)(=O)C1 1689990421 OCIFTFFYSCHYHV-LWYYNNOASA-N 450.605 2.208 30 10 JEEE C#CCSCCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1690185236 VOMNBRFTFVXMON-GOSISDBHSA-N 452.577 2.376 30 10 JEEE C=CCC(C)(C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1690437638 KMDBCHBSOUWDFV-UHFFFAOYSA-N 493.616 2.412 30 10 JEEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCN1CCCO[C@@H](C)C1 1690523469 BCJPCXNYKGRRKM-SFHVURJKSA-N 451.575 2.315 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1690711848 JNKSYTRTHWWZAS-PZJWPPBQSA-N 475.615 2.228 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCOCC(F)(F)C(F)F 1705485891 RNDOGFUMYIGYFY-ZDUSSCGKSA-N 452.416 2.296 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CC(=C)Br)[C@@H]1CCS(=O)(=O)C1 1705559796 BLGWOKWMZJYREZ-QGZVFWFLSA-N 460.357 2.352 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CCCc1c[nH]nc1C)[C@H]1CCS(=O)(=O)C1 1705568363 LZMOYXFUIAZLSJ-NRFANRHFSA-N 482.610 2.457 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(Br)ccc1OC 1705588609 HJQYRKXMJNNJSQ-HNNXBMFYSA-N 494.415 2.171 30 10 JEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2cccc(Cl)c2)CC1 1705659621 BHUXKHYGWNPCBB-GOSISDBHSA-N 473.002 2.211 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(=C)c1ccccc1 1705675235 ZAJVGNSNTQYREE-NFBKMPQASA-N 455.584 2.317 30 10 JEEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@H](C)c2nc(C(C)C)no2)CC1 1705725866 VWVSKLRLVCQKCV-IAGOWNOFSA-N 463.608 2.146 30 10 JEEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@](C)(O)c1ccco1 1705883344 FHQZGXRNCDAKBU-DEOSSOPVSA-N 464.526 2.332 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCCN(Cc2ccc(F)cc2)CC1 1705900325 YVLYHACIIPCGCX-UHFFFAOYSA-N 451.550 2.437 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC[C@@H](Nc3ccccc3)C2)nnc1[C@@]1(OCC)CCOC1 1705909367 VCVIFEMQRRUAQU-HYBUGGRVSA-N 454.575 2.313 30 10 JEEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 1705948211 LFOQCFZIUPUUJL-INIZCTEOSA-N 461.592 2.404 30 10 JEEE CC(C)Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCNC(=O)c1ccccc1F 1706421814 CSMRBLTWFREREW-GOSISDBHSA-N 491.575 2.422 30 10 JEEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1722313702 CRYWDXBZWIKTOL-UHFFFAOYSA-N 471.562 2.132 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1C[C@@H](c1cccc(OC)c1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1722370675 DRUZDLQPYYQRHG-IRLDBZIGSA-N 471.627 2.169 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2c(c1)[C@H](C)[C@H](C)O2 1722414297 ZDBVLQDRPRZGLL-WWMYMODYSA-N 473.599 2.003 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1c(C)nn(-c2ccccc2)c1C 1722429495 RTQNYIFCCDPWLX-FQEVSTJZSA-N 482.610 2.117 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2CCC(=O)NC(C)(C)C)CC1 1722444349 XQNKGEXRRBSMBY-UHFFFAOYSA-N 466.586 2.224 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CC1(c2ccccc2C)CCOCC1 1722446721 JSPQOIDLIYTQBK-NRFANRHFSA-N 451.571 2.372 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN(C(=O)OC(C)(C)C)C1CC1 1722467051 KZAPFFVKJDNPTC-OPAMFIHVSA-N 480.635 2.280 30 10 JEEE C=C(C)COCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1722527733 ACXXRNIQGCPBFX-LJQANCHMSA-N 463.586 2.199 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1c[nH]c2ccc(F)cc12 1722640864 SVJWLGOMLFERGD-IBGZPJMESA-N 462.551 2.096 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1722696244 GKJUPXVVUVRRFT-UHFFFAOYSA-N 479.629 2.080 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCc2ccccc2CC1 1722730054 GWJCLTUJPUHTII-UHFFFAOYSA-N 454.600 2.346 30 10 JEEE CCCNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1728185741 DWRWKBHGGZJVCN-QGZVFWFLSA-N 477.573 2.308 30 10 JEEE CCN1CCN([C@H](C)Cn2c(-c3ccc(OC(C)C)c(OC)c3)nnc2N2CCO[C@H](C#N)C2)CC1 1728600935 ANAMXRJRJTTXKP-IFMALSPDSA-N 497.644 2.496 30 10 JEEE CCS(=O)(=O)C[C@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1c(C)nn(C)c1C 1729189882 CKGSCBPCPXCEMS-INIZCTEOSA-N 485.614 2.387 30 10 JEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](Oc2ccccc2)C1 1740574854 OGFKXMSJIWMMSL-FGZHOGPDSA-N 487.626 2.462 30 10 JEEE C#CCCCCn1c(CC2CCCC2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1740576612 BHKNCXCZEVTGPP-UHFFFAOYSA-N 460.604 2.454 30 10 JEEE C#CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1CCCS(=O)(=O)C1 1740607825 DYHIRBUEGAQWCZ-ROUUACIJSA-N 465.620 2.287 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCOC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1740618242 FPSBPZVIADVBOA-HNNXBMFYSA-N 484.420 2.478 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@H](C)N1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1740623391 SOOYZUONOOZKSW-LEWJYISDSA-N 470.643 2.396 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN1CCC[C@@H]1C 1740652698 KGCQLMXNQFLCCR-IBGZPJMESA-N 453.616 2.185 30 10 JEEE C#CCN(CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCS(=O)(=O)C(C)(C)C 1740674019 PVVVSWYPQIFOQR-UHFFFAOYSA-N 486.686 2.316 30 10 JEEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(c2cnn(C)c2)CC1 1740710777 CCRCCYVLHSWXJT-UHFFFAOYSA-N 452.544 2.280 30 10 JEEE C#CCSCCn1c(N2C[C@H](C)O[C@@]3(CCCOC3)C2)nnc1[C@@]1(OCC)CCOC1 1740722014 AYAJIGINIJGRIP-YUXAGFNASA-N 450.605 2.071 30 10 JEEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1740875610 GRFKSNZVQXEJIW-KRWDZBQOSA-N 460.560 2.381 30 10 JEEE C=CCCOCCn1c(-c2noc3c2COCC3)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1740885089 WULSWOKIEBTBLR-UHFFFAOYSA-N 498.506 2.493 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1740955464 VGHBZMACSCZOQP-LMKMVOKYSA-N 498.584 2.368 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1740959503 XXKBDUFXKFGZJV-IAGOWNOFSA-N 470.578 2.167 30 10 JEEE C=CCNC(=O)Cn1c(N2CCN(c3cc(C)ccc3C)CC2)nnc1[C@]1(OCC)CCOC1 1740964621 FTFPMDHOYRAWMG-VWLOTQADSA-N 468.602 2.176 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCCc2ccccc2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1740994850 VNBGBHZWJYYUTM-HSZRJFAPSA-N 473.599 2.085 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CC(=O)NC(C)C 1744079519 IBWJTUWOGGGCBU-UHFFFAOYSA-N 480.617 2.309 30 10 JEEE CNC(=O)CCCN(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1c(C)nn(C)c1C 1748247036 ARGAWJSWHJJFCH-UHFFFAOYSA-N 450.547 2.090 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCCCNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1748814589 GXGMDNUYAJFRBX-RBUKOAKNSA-N 495.646 2.451 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC1(SC)CCOCC1)[C@H]1CCS(=O)(=O)C1 1748814815 JJYSSBPPGAORFX-ROUUACIJSA-N 468.645 2.059 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCN1CCCC[C@@H]1CC)[C@H]1CCS(=O)(=O)C1 1748820980 KRUGBBFWHVASJD-VXKWHMMOSA-N 487.674 2.031 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC1(O)CCS(=O)(=O)CC1 1748950110 FBEFTHVAZXGYOR-QGZVFWFLSA-N 492.667 2.157 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cnc(C)s1 1748964992 OGOBLBIXQNBQIH-SFHVURJKSA-N 476.603 2.486 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cccc(C(OC)OC)c2)CC1 1748972671 NNKDNBBJMYYXEH-UHFFFAOYSA-N 475.553 2.020 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@H]2CCCN2CCCO)CC1 1748979243 WMDFVXRJXUDIQD-HXUWFJFHSA-N 474.556 2.149 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2cc(C(C)(C)C)no2)CC1 1749003208 BDCRWCUAVJIXQV-RUZDIDTESA-N 484.601 2.230 30 10 JEEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1749043947 MBAZLOBWFXHIKK-LJQANCHMSA-N 488.683 2.185 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(F)c(F)c1F 1749066592 LHIXISHSANYTJQ-HTAPYJJXSA-N 497.543 2.263 30 10 JEEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1749116083 ZNZQVSKANNHQKC-LSDHHAIUSA-N 463.398 2.068 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ccc(OC)c(OC)c2)CC1 1749302964 BYMJFBINNXLYBG-OAQYLSRUSA-N 491.614 2.027 30 10 JEEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1749672059 OPNZEDPMKHODKG-QGZVFWFLSA-N 470.528 2.499 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1749682168 PAGHIYJQUDLFPT-QUCCMNQESA-N 498.632 2.455 30 10 JEEE C=CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2cccnn2)CC1 1749760912 QYQFATGCTKKCFH-UHFFFAOYSA-N 470.628 2.305 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(Oc2ccccc2)nc1 1760117386 OEVLQJSUMXVNDL-WIYYLYMNSA-N 496.593 2.305 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1oc2ccccc2c1C 1760117403 OKLOLJOQBAQDQQ-FOIQADDNSA-N 457.556 2.172 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2C[C@@](C)(O)c2ccsc2)c1 1760128077 XRXUNWICPDTVJC-RUZDIDTESA-N 492.605 2.426 30 10 JEEE C#CCN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 1760182798 MHIJEQPCTZVFNT-GOSISDBHSA-N 487.969 2.130 30 10 JEEE C#CCN(c1nnc(C2CCC2)n1Cc1ccccc1OCCOC)[C@@H]1CCS(=O)(=O)C1 1760186639 FBQYTRDPFCNLIX-HXUWFJFHSA-N 458.584 2.246 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@]2(OC(C)C)CCOC2)n1CCS(C)(=O)=O 1760240540 UQMZSWVKTLUUCL-QFIPXVFZSA-N 464.563 2.142 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N(C)[C@@H](C)CS(C)(=O)=O)nnc1[C@@]1(OC(C)C)CCOC1 1760327416 GXTWDCPSZHSHLU-LMVRJCEZSA-N 470.636 2.169 30 10 JEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCCN(Cc2ccc(OC)cc2)C(=O)C1 1760348903 QMNBYGYBQJBEBF-UHFFFAOYSA-N 496.612 2.354 30 10 JEEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1760514013 NSEXENZHSLPYHI-IRXDYDNUSA-N 468.624 2.302 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CCC[C@@H](C(=O)OC)C1 1760517673 UYEURBJQKLQHMQ-CQSZACIVSA-N 492.374 2.408 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(OCCN2CCCC2)CC1 1760518783 GUSBWBNRJNKMKH-UHFFFAOYSA-N 463.586 2.200 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(F)ccc3Br)n2CCNS(C)(=O)=O)C1 1760538189 CPBWAVQFDWUQQN-CQSZACIVSA-N 488.383 2.177 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCC2(O)CCOCC2)C1 1760538876 HTPZJPGNQPVDEI-LJQANCHMSA-N 476.599 2.062 30 10 JEEE Cc1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@H](CN(C)S(C)(=O)=O)C2)on1 1762683073 AEFQTONYBJSLDA-LJQANCHMSA-N 499.597 2.181 30 10 JEEE CCN1CCN(C[C@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](CC(N)=O)C2)CC1 1765552167 DVSVGFUHJDMVEC-UNMCSNQZSA-N 478.645 2.182 30 10 JEEE CCn1cccc(Cn2c(N3CCN(c4c(C#N)c(C)nn4C)CC3)nnc2C(C)(C)C)c1=O 1766970787 GOSMRMDYOOCRFS-UHFFFAOYSA-N 463.590 2.046 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCO[C@H](C(C)C)C1 1772660118 LPVAESRAVSHLBI-FQEVSTJZSA-N 462.572 2.178 30 10 JEEE N#Cc1ccc(NC(=O)CCc2nnc(=NC(=O)c3ccc(Br)cc3)[nH]c2O)cc1 1860872527 PHKPSLCEJFNHKA-UHFFFAOYSA-N 467.283 2.457 30 10 JEEE C=CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H]1CC(=O)N(c2ccc(C(=O)OCC)cc2)C1 1861607905 BWSNROPORIUJDO-RBBKRZOGSA-N 463.534 2.246 30 10 JEEE COc1cc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCN2CCOCC2)cc(OC)c1O 1862601004 UCPSVVQPULRWKD-NRFANRHFSA-N 484.505 2.026 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)Cn2cnc3c(nnn3Cc3cccc(Cl)c3)c2=O)nc1C 1870103718 HOTIFTBORSBSDQ-UHFFFAOYSA-N 499.940 2.436 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCCN(CC)CC)cn1CCCn1ccnc1 1870536281 FRRMGABVDTYZIF-UHFFFAOYSA-N 484.645 2.146 30 10 JEEE C=CCN(CC=C)c1nc(=NCCCOCCCC)nc(Nc2ccc(S(N)(=O)=O)cc2)[nH]1 1871506007 GQYHJFKQOUADMO-UHFFFAOYSA-N 475.619 2.482 30 10 JEEE C=CCN(CC=C)c1nc(=NCc2ccc(O)cc2)[nH]c(=Nc2ccc3c(c2)C(=O)N(C)C3=O)[nH]1 1871630794 FUDHFWXHQYWZDW-UHFFFAOYSA-N 471.521 2.181 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)COc2nonc2CC(=O)NCc2ccc(C)cc2)nc1C 1872649114 KQZFXYDDIHOLLH-UHFFFAOYSA-N 485.522 2.362 30 10 JEEE COC(=O)c1[nH]c2cc(OC)c(OC)cc2c1/C=N/n1cnnc1SCC(=O)NCc1ccco1 1873504691 HUKQCGDWTRQHQD-KIBLKLHPSA-N 498.521 2.447 30 10 JEEE C=CCn1c(C(=O)N2C[C@H](C)O[C@H](C)C2)cc2c(NCCc3ccc(S(N)(=O)=O)cc3)ncnc21 1875231150 BVKPRCWVMIZDNA-CALCHBBNSA-N 498.609 2.169 30 10 JEEE CC(C)(C)OC(=O)NC[C@]1(CO)COCCN1Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2162867269 GKTHSTRKMUNADI-DEOSSOPVSA-N 462.396 2.074 30 10 JEEE CC(C)(C)OC(=O)N[C@@]1(C(=O)NCCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CCOC1 2180972634 NLPDDMDKGIHTPQ-DEOSSOPVSA-N 460.380 2.328 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2COC)C1 2255156352 NPRROTBXSFJEHQ-BNGSBABLSA-N 451.564 2.387 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2CO)C1 2255200443 HSPFDTDILHJNOC-GBXAEXGJSA-N 451.564 2.027 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@H](NC(=O)c2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2255652788 ZHIZWOGGEQLOPF-CQSZACIVSA-N 452.382 2.413 30 10 JEEE CCn1cc(C(=O)N[C@H]2CCN(C(=O)OCc3ccccc3)C2)nc1B1OC(C)(C)C(C)(C)O1 2255814794 DNKSTKRBCFWXGE-SFHVURJKSA-N 468.363 2.343 30 10 JEEE Cc1cc(C(=O)N[C@H]2COC[C@@H]2NC(=O)OC(C)(C)C)sc1B1OC(C)(C)C(C)(C)O1 2255863484 WVACZFJJSNGNRO-KBPBESRZSA-N 452.382 2.378 30 10 JEEE C[C@H](CNC(=O)OC(C)(C)C)CNS(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2255948686 ONRPVGMWEFHEAG-OAHLLOKOSA-N 454.398 2.425 30 10 JEEE C[C@@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)O)c1cscc1B1OC(C)(C)C(C)(C)O1 2256620296 GXGBSNAPVAJMKK-IOASZLSFSA-N 454.398 2.499 30 10 JEEE C[C@@H](NC(=O)OC(C)(C)C)c1n[nH]c(NC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)n1 2267167000 AATBYXPVYQXXLO-SNVBAGLBSA-N 464.357 2.398 30 10 JEEE CCn1cc(C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C(C)C)nc1B1OC(C)(C)C(C)(C)O1 2267184423 MOFILCRRCMCOIB-HNNXBMFYSA-N 450.389 2.481 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N(Cc2ccccc2)C[C@H]2CCCO2)n1 2267474434 UYRSSRBPCUGLIU-GOSISDBHSA-N 461.393 2.089 30 10 JEEE CC1(C)OB(c2cncc(S(=O)(=O)N(Cc3ccccc3)Cc3cn[nH]c3)c2)OC1(C)C 2267722246 VBEVWPYHILRCOJ-UHFFFAOYSA-N 454.361 2.495 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CCO)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1F 2268714075 FXZVYBFUVFROHA-CQSZACIVSA-N 456.295 2.478 30 10 JEEE CC1(C)OB(c2ccc(F)c(C(=O)NC[C@]3(O)CCN(Cc4ccccc4)C3)c2)OC1(C)C 2281786070 CVGZVTKRYBXOBY-RUZDIDTESA-N 454.351 2.492 30 10 JEEE Cn1ncc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]3CC[C@@H]23)c1B1OC(C)(C)C(C)(C)O1 2281810017 YUYWBBLBKBASSE-USXIJHARSA-N 460.384 2.237 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC[C@@H]1CN(C)C(=O)OC(C)(C)C 2282004957 NAEYCKRLQZRQHW-MRXNPFEDSA-N 462.400 2.499 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC(C3(NC(=O)OC(C)(C)C)CC3)C2)n1 2282065446 MPZWVQBCBQQEHO-UHFFFAOYSA-N 460.384 2.332 30 10 JEEE CC(C)(C)OC(=O)NC1[C@@H]2CN(S(=O)(=O)Cc3ccc(B4OC(C)(C)C(C)(C)O4)cc3)C[C@@H]12 2282500823 OCWKESZJDKSMGA-QZTJIDSGSA-N 478.420 2.271 30 10 JEEE Cc1c(C(=O)N2C[C@H]3CC[C@H]2CN3C(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282551680 FKSIEHCQKUXSFV-JKSUJKDBSA-N 460.384 2.252 30 10 JEEE Cn1cc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C3(CCC3)C2)nc1B1OC(C)(C)C(C)(C)O1 2282554546 FWVNGHUBQVXALL-HNNXBMFYSA-N 460.384 2.381 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCC[C@@]23CCN(C(=O)OC(C)(C)C)C3)n1 2282555126 OBCDVAOXOKXBPP-QHCPKHFHSA-N 460.384 2.335 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N=[S@@](C)(=O)CCN(C)C(=O)OC(C)(C)C 2282581629 KIPUYPUOIZXMRQ-XIFFEERXSA-N 484.428 2.133 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1CO 2282658264 VHPSNWMPSCHQPK-VQIMIIECSA-N 460.380 2.334 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)[C@@H]2CC[C@H]21 2282696783 ILBSUDWMYMRSKA-BHYGNILZSA-N 458.368 2.294 30 10 JEEE C[C@H]1[C@H](C)N(S(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CCN1C(=O)OC(C)(C)C 2282832662 QRGFUYNPCNZGEX-HOTGVXAUSA-N 481.424 2.399 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](NS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)[C@H]2C[C@@H]21 2282868816 SRVSQYFSKDJDOS-SQNIBIBYSA-N 479.408 2.057 30 10 JEEE Cc1ccc(S(=O)(=O)N[C@@H](COCc2ccccc2)C(=O)O)c(B2OC(C)(C)C(C)(C)O2)c1 2284400803 YLBWWCSLXVYQAE-IBGZPJMESA-N 475.372 2.243 30 10 JEEE CC(C)(C)OC(=O)N1CC(c2nc(=NC(=O)c3coc(B4OC(C)(C)C(C)(C)O4)c3)s[nH]2)C1 2296443853 DKTOALUNDZEZCB-UHFFFAOYSA-N 476.364 2.439 30 10 JEEE COc1ccc(OCc2nnc(SCC(N)=O)n2N=Cc2ccc3c(c2)OCCO3)cc1 2328371823 NVRRZPWDNMTWMN-UHFFFAOYSA-N 455.496 2.097 30 10 JEEE CCN(CC)C(=O)CSc1nnc(CNC(C)=O)n1N=Cc1cc(Br)ccc1O 2330718139 MRALYZPJRXTEHB-UHFFFAOYSA-N 483.392 2.225 30 10 JEEE CCCOc1c(Br)cc(C=Nn2c(CNC(C)=O)nnc2SCCO)cc1OC 2330794610 AJVBSTROMODLNL-UHFFFAOYSA-N 486.392 2.441 30 10 JEEE C=CC1(N[C@@]2(C(=O)O)CN(C(=O)OC(C)(C)C)[C@@]3(CCOC3)C2)CN(C(=O)OC(C)(C)C)C1 2350975377 DXBYFETXNAPAGV-XZOQPEGZSA-N 467.563 2.375 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2C[C@H](C)N(C(=O)OC(C)(C)C)C2)n1C 2362323445 DUQZFNMYKBWFBH-GOEBONIOSA-N 462.400 2.403 30 10 JEEE Cn1cnc(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 2362355000 FZSPRLFAFKWLNS-ARFHVFGLSA-N 460.384 2.095 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)CC12CC2 2362452447 OWVDLTKCDMWSAO-OAHLLOKOSA-N 460.384 2.381 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)[C@@H](C)S(=O)(=O)CC(=O)Nc3ccccc3OC)cc21 19951393 FWNSMEAEOZMJRT-OAHLLOKOSA-N 472.519 2.231 30 10 JEEE CCOCCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(C)c2N2CCOCC2)SC1=S 33390509 ZJJCWVHOTBEGIF-ATVHPVEESA-N 462.597 2.030 30 10 JEEE Cc1c(NC(=S)N/N=C/c2c(O)c3ccccc3n(C)c2=O)c(=O)n(-c2ccccc2)n1C 100271246 YCAHSRODRBVSNY-ZMOGYAJESA-N 462.535 2.362 30 10 JEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)cc1 500489693 ZTEDVDUZNCXLQA-UHFFFAOYSA-N 493.607 2.075 30 10 JEEE COC(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)OC 504589047 XWFDREYZNGAQBP-ALDDDCSDSA-N 491.625 2.389 30 10 JEEE COc1ccccc1N1CCN(C(=O)C(C#N)=c2sc(=Cc3ccccc3)c(=O)n2C2CC2)CC1 590996923 GXZIXANLQBFCAT-UHFFFAOYSA-N 486.597 2.105 30 10 JEEE CC1(C)OB(c2ccccc2CNS(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)OC1(C)C 704311491 UJOFNJDFXPGIPI-UHFFFAOYSA-N 484.383 2.092 30 10 JEEE N#Cc1cc(S(=O)(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)ccc1Br 1209989548 DNTZFSDNFKXUEJ-LJQANCHMSA-N 450.358 2.236 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCC(=O)N1CCCCC1 1286278339 CEMNLGKMKMFFHH-SFHVURJKSA-N 472.615 2.056 30 10 JEEE C#CCN(c1nnc(-c2ccc(Br)s2)n1Cc1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 1286384356 QHFNIWSGXOPAAU-AWEZNQCLSA-N 495.428 2.178 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@H](C)Oc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1286390905 AOLRUOKBKITNAR-AZUAARDMSA-N 483.569 2.497 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C)c2cccc(C)c2)CC1 1286492227 FCAAOQZBBHBDQJ-SIKLNZKXSA-N 483.638 2.258 30 10 JEEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 1286514830 QJIOEXZJRONCRH-HXUWFJFHSA-N 475.640 2.397 30 10 JEEE C=CCCOCCn1c(N2CC(C)(C)O[C@]3(CCOC3)C2)nnc1[C@]1(OCC)CCOC1 1286714769 WDMVROOIZJSCDB-PKTZIBPZSA-N 450.580 2.297 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCc2nccn2C1 1286742215 HLVGABZPQIZXLC-GHTZIAJQSA-N 494.625 2.412 30 10 JEEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN(c2ccc(F)cn2)CC1 1286789713 HEKJPMGRRBRGSX-UHFFFAOYSA-N 479.560 2.235 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 1286791117 NIFPCHOBKQKULT-RXVVDRJESA-N 496.612 2.472 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1286817433 VHPNRAVLZTWVEW-UHFFFAOYSA-N 491.614 2.469 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCCN(CC(F)(F)F)CC1 1286817448 SOQWNNHBMBUEHJ-UHFFFAOYSA-N 458.510 2.015 30 10 JEEE CC(C)OC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCSCC2)CCO1 1288353091 HXZMJYFHSYAANU-OAQYLSRUSA-N 456.616 2.496 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(F)cc2Br)n1CCC[C@@H]1NC(=O)NC1=O 1300286613 LMGDDJBSWKATHB-NHYWBVRUSA-N 463.311 2.293 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCNC(=O)OC(C)(C)C 1300304024 MEPLVIMIYLNDGI-OAHLLOKOSA-N 451.531 2.175 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@]2(C)CCCS2)c1 1300331893 UAQAAHNYSBADBN-KSFYIVLOSA-N 490.655 2.230 30 10 JEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)c2cc(C)oc2C)CC1 1300409313 HJLJYUDVPYUWQR-SFHVURJKSA-N 473.599 2.202 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](c2ccc(F)cc2)O[C@H](C)C1 1300411491 SMUKSBHYOPPTJO-DUXKGJEZSA-N 491.589 2.130 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(OC)cc2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1300654853 JNBDLOHKZUPIIF-UNMCSNQZSA-N 487.626 2.244 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCCO2)n1Cc1ccccc1CN1CCC(O)CC1 1300675771 HNNOYDXHOGNKEP-HSZRJFAPSA-N 453.587 2.221 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2OCCC2(C)C)CC1 1300731457 PUFZQTJBBCLGDM-LJQANCHMSA-N 484.626 2.051 30 10 JEEE C=C(Br)Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1300843393 AUVGPIJYANXMAJ-LBPRGKRZSA-N 481.376 2.372 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC(NC(=O)c2ccc(F)cc2)CC1 1301506775 SAMQDAYIOGMRMK-UHFFFAOYSA-N 477.544 2.104 30 10 JEEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN(c2ncccc2F)CC1 1301508419 KRDJZMJUYZKISO-UHFFFAOYSA-N 479.560 2.235 30 10 JEEE CC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1)OC 1305816879 CEHCDPMSSFTSIY-DENIHFKCSA-N 465.602 2.375 30 10 JEEE C=CCn1c(S[C@@H](CO)C(=C)C)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 1307264425 XAWDEQNNFVFBFC-SFHVURJKSA-N 450.586 2.181 30 10 JEEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN2CCS(=O)(=O)C[C@H]2C2CC2)cc1 1307776985 CUPSSHYVGLRFLX-NRFANRHFSA-N 456.568 2.422 30 10 JEEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCN1CCCCC1 1358981372 HQURLVGYPUOIFW-UHFFFAOYSA-N 459.642 2.202 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCn1ccnn1 1358999026 AHUCPCDDRCJSHE-KDURUIRLSA-N 452.563 2.194 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCC2CCOCC2)CC1 1359036034 KXUCNAMYFFHMMK-OAQYLSRUSA-N 488.633 2.158 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2Cc2cccc(C(=O)NCC)c2)CC1 1359043857 LSHUBWIYABEJFA-UHFFFAOYSA-N 485.592 2.412 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2Cc2ccc(C(=O)NCC)cc2)CC1 1359046096 DPTDRWQWGCQUGA-UHFFFAOYSA-N 485.592 2.028 30 10 JEEE C#CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)COC)CC1 1359062380 FZIKZOCQWALBHM-SFHVURJKSA-N 492.646 2.012 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1359327554 FDUHNUPYWKKIQL-GJZGRUSLSA-N 484.420 2.499 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](c2ccccc2F)C1 1359333074 NNTCCXBLOMVEHQ-VQIMIIECSA-N 450.536 2.100 30 10 JEEE C[C@H](CN1CCOCC1)Cn1c(CC(C)(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1360605953 IDCGEHKLSBZROE-WOJBJXKFSA-N 481.649 2.212 30 10 JEEE COC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1503909700 FTXYKYSLSULDBO-HXUWFJFHSA-N 488.614 2.077 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OCC)CCOC3)n2C[C@H]2CCCN2CC)c1 1507548836 DCQGMFRYHZIZAY-ATIYNZHBSA-N 480.613 2.471 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1507632112 XAOKWLITBOBXNK-MJGOQNOKSA-N 490.630 2.449 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@@H]1CCOC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1507635825 ZQQGEONWDRTDMD-IHPCNDPISA-N 460.575 2.307 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2C[C@@H](c2ccc(C)o2)N2CCOCC2)CC1 1507734291 UGHVTSWNMDAEAR-NRFANRHFSA-N 468.602 2.342 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CC(C)(C)c2ccc(F)cc2)CC1 1507734322 VAHBKXJOKREIJV-UHFFFAOYSA-N 468.577 2.499 30 10 JEEE C=C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1507880048 ZJTNJBNKQKZUFX-KRWDZBQOSA-N 461.588 2.400 30 10 JEEE C=CCn1c(-c2cc(Br)cn2C)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1508049948 NVCYATLJTKENPA-IBGZPJMESA-N 492.466 2.463 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Br)c2)nnc1N1CCCN(C(C)=O)CC1 1508133984 AITXUFCWQBLZGM-UHFFFAOYSA-N 496.431 2.367 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)CC1COC(C)(C)OC1 1508135140 DSSXFYREZVLSLP-UHFFFAOYSA-N 492.598 2.152 30 10 JEEE C=CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)CC[C@H]2C1 1508160756 ITOAEYGXIRVOHJ-ZWKOTPCHSA-N 492.646 2.317 30 10 JEEE C[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CCC(N)=O)CC1)N1CCOCC1 1510027767 BFQILMNHIFXXRB-SFHVURJKSA-N 451.575 2.019 30 10 JEEE CCS(=O)(=O)CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@H](C#N)C1 1516811500 FGUACVDTSLPQCO-LJQANCHMSA-N 461.588 2.318 30 10 JEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)c1 1535259763 RVXZPEDLARSDEQ-UHFFFAOYSA-N 459.462 2.267 30 10 JEEE C#CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C)C(=O)[C@@H]1C 1539071069 KXEURUVIPZJVSD-ZWKOTPCHSA-N 460.579 2.057 30 10 JEEE C#CCN(c1nnc(C(C)C)n1Cc1cccc(Br)n1)[C@@H]1CCS(=O)(=O)C1 1539203751 UNBFIMVLFGFDAO-OAHLLOKOSA-N 452.378 2.234 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H](c1cccs1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1539212352 VITWBNVVPSWAKV-MJGOQNOKSA-N 470.624 2.331 30 10 JEEE C#CCN(c1nnc(-c2nnc(O)c3ccccc23)n1CCCCOC(C)C)[C@@H]1CCS(=O)(=O)C1 1539215392 AXJXTLPJADVEQJ-GOSISDBHSA-N 498.609 2.426 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC2([S@@](C)=O)CC2)CC1 1539466989 LAXAUMVSSDOLMZ-PGUFJCEWSA-N 496.637 2.024 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCOc2ncccc2Cl)CC1 1539488560 LVZXBNOFVWTSMI-UHFFFAOYSA-N 497.003 2.233 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1OC(C)C 1539557736 YVSFSFZLFFPGPX-XUZZJYLKSA-N 487.626 2.439 30 10 JEEE C=CCC(C)(C)Cn1c(-c2ccccc2Br)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1539910689 MPCJGKYOELAKPU-OAHLLOKOSA-N 487.402 2.457 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1NC(=O)CC1(C)C 1540146316 CVVCHCSPBQFJMP-WBVHZDCISA-N 463.629 2.349 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@H](C)C1 1540881081 XYECXGPLUNAEEX-YLJYHZDGSA-N 493.655 2.166 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCN(c2cc(F)cc(F)c2)CC1 1540905717 ZBHJUNOZGDHKGZ-UHFFFAOYSA-N 488.564 2.470 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2CC)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1540908821 OOEUGYKBGOISNO-NTKDMRAZSA-N 490.626 2.405 30 10 JEEE CS(=O)(=O)c1ccc2c(c1)N(CC(=O)N1CCN([C@@H](C#N)c3cccs3)CC1)CCC2 1559643478 AFUOPRGWLHNXMX-FQEVSTJZSA-N 458.609 2.313 30 10 JEEE CCOC(=O)c1cc(S(=O)(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)cn1C 1561210726 DENSZDDOPOHQHZ-UHFFFAOYSA-N 453.524 2.133 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC)n2CC[C@@H](C(F)F)N2CCOCC2)c1 1587693964 YNTJZWZZKGONJM-IBGZPJMESA-N 460.529 2.253 30 10 JEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 1587766193 QDJVHJWFWJTWHH-QZTJIDSGSA-N 465.620 2.335 30 10 JEEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1587847209 FIIMWDWTNUYJBR-UHFFFAOYSA-N 486.646 2.235 30 10 JEEE C#CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1587855795 BIBFTFDYJBZXOJ-SFHVURJKSA-N 458.563 2.447 30 10 JEEE C#CCN(c1nnc(COCC)n1Cc1cn2cc(Cl)cc(Cl)c2n1)[C@H]1CCS(=O)(=O)C1 1588073682 BDKKVISDAUEQHM-INIZCTEOSA-N 497.408 2.444 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2sccc2Br)CC1 1588924213 XLMOJJRIKGIXDT-HNNXBMFYSA-N 491.415 2.067 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CC(C)(C)N2CCCCC2)CC1 1588961657 HLGWJWTXPMELES-UHFFFAOYSA-N 480.661 2.370 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@](C)(O)C(C)C)CC1 1588962005 RCAAWVYBBCYTPA-XMMPIXPASA-N 457.550 2.369 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)N2Cc3ccccc3C[C@@H]2C(=O)NC2CC2)ccc1F 1628610849 CXBUYANIUMWULK-HXUWFJFHSA-N 457.527 2.136 30 10 JEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1O 1637881647 MAAKJZAVCHLYEO-MRXNPFEDSA-N 451.545 2.422 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](c2nc(CC)cs2)C1 1689930325 PHUKTMNMDUFMID-HKUYNNGSSA-N 492.671 2.427 30 10 JEEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ccc(C(=O)NCC)cc1 1689964363 MBTUDLMTJGGXAT-UHFFFAOYSA-N 458.570 2.320 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cnn2ccccc12 1690019095 APXSYYSHCRZBGL-OAQYLSRUSA-N 475.553 2.355 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCCn2cc(CO)nn2)CC1 1690115773 TTWCBMCVFSXGFB-UHFFFAOYSA-N 462.602 2.172 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CC(C)(C)N2C[C@@H](C)C[C@@H](C)C2)CC1 1690135390 VQDSSDXJFFZBIH-BGYRXZFFSA-N 485.677 2.139 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccccc2OC)CC1 1690137236 RASNMDORMHTQPZ-UHFFFAOYSA-N 466.586 2.219 30 10 JEEE C#CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1C[C@@H](OC)C(C)(C)C1 1690169670 KGNJJHGWTJTZHB-QGZVFWFLSA-N 462.645 2.466 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2cccc(C)c2)nnc1N1CCN(C(=O)COC)CC1 1690252399 DBKQNVQOGXYMRB-RDPSFJRHSA-N 469.586 2.442 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cscn1 1690432717 JUUNRTZQGLUWHO-MRXNPFEDSA-N 454.622 2.306 30 10 JEEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C(C)(C)C)C1 1690509100 WVLNPPQEOWABDX-ZWKOTPCHSA-N 455.625 2.076 30 10 JEEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1705509957 QNWMXRBVTJDKNO-NRFANRHFSA-N 481.626 2.175 30 10 JEEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1705523136 LMIBKDFPUVCGGA-JOCHJYFZSA-N 456.934 2.306 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCCO[C@@H]1c1ccccc1)[C@H]1CCS(=O)(=O)C1 1705559348 YQFJFYMNRQVEAJ-FDFHNCONSA-N 499.637 2.211 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCOC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1705563024 PDKJEDOFLUUGEO-MRXNPFEDSA-N 451.980 2.435 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(OC)ccc2Br)n1C[C@]1(O)CCO[C@@H]1C 1705576490 LRBCIOYEVLZNEV-QVKFZJNVSA-N 459.344 2.329 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC2(O)CC(OCC)C2)CC1 1705644767 BGFVVVBLHDPLNT-ZSNWSCRSSA-N 499.587 2.453 30 10 JEEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1705667856 WQULAPUNHNEGEF-FPOVZHCZSA-N 474.631 2.296 30 10 JEEE C=C(Br)Cn1c(Cc2ccccn2)nnc1N1CCC(C(=O)NCCOC)CC1 1705689713 WTVLONMYOXVGPJ-UHFFFAOYSA-N 463.380 2.152 30 10 JEEE C=C(Br)Cn1c(N2CCN(C3CC3)[C@@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1705692904 XHECVMWUUBGECA-PXNSSMCTSA-N 465.396 2.404 30 10 JEEE C=C(Cl)Cn1c(CC2CC2)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1705757446 LPJXBLQVRDHVFB-OAGGEKHMSA-N 472.011 2.110 30 10 JEEE C=CCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1705892458 IGBODWKQLRCZFK-QFIPXVFZSA-N 451.619 2.181 30 10 JEEE C=CCn1c(CCCc2ccccc2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1705892462 INTLFMLTNRVOIE-NRFANRHFSA-N 459.616 2.270 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2sccc2[C@H]1CC 1705936119 KIRVTYHFQWSXHG-NVXWUHKLSA-N 484.669 2.356 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1CC(C)(C)c1ccc2c(c1)OCCO2 1706848665 GUFQNVINBRLEJL-CVEARBPZSA-N 476.603 2.376 30 10 JEEE CC[C@H](Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@](F)(C#N)C1)OC 1708776688 DJTLCXWTIYWFRQ-UZLBHIALSA-N 450.540 2.062 30 10 JEEE COCC[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1712317852 CGCBPUVPBYKGOZ-ZJSXRUAMSA-N 465.558 2.015 30 10 JEEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@@H](C(=O)NCCCC)C1 1722326580 IQIYGJYNBAKGHU-HXUWFJFHSA-N 461.574 2.467 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCSCC=C)[C@@H]1CCS(=O)(=O)C1 1722358335 AKBSPXLDYHNDIA-GOSISDBHSA-N 461.569 2.399 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCCCNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1722360147 DQRQLENZXXCTEE-QGZVFWFLSA-N 476.603 2.205 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@H](c1ccco1)N(C)C)[C@H]1CCS(=O)(=O)C1 1722361386 HSMTYVDCHPXKDV-PZJWPPBQSA-N 483.594 2.476 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCCOC(F)F)[C@H]1CCS(=O)(=O)C1 1722367131 UVXBPVRXQBCHOO-KRWDZBQOSA-N 456.490 2.264 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CCC(=O)NC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1722371677 XOILZFQFWRTASC-LJQANCHMSA-N 487.626 2.097 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2c(F)cccc2F)n1Cc1cccc(N2CCOCC2)n1 1722384266 RLHGLPRUHVDHHW-UHFFFAOYSA-N 462.504 2.500 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccnc(OC2CCCC2)c1 1722397515 RECAOLNFQOJMBV-FQEVSTJZSA-N 467.595 2.408 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)N(C)Cc2ccccc2)CC1 1722440382 DYDGPWHGYTVDCB-NRFANRHFSA-N 491.640 2.000 30 10 JEEE C=C(Br)Cn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1722489053 OTZJHILFLXDGTR-UHFFFAOYSA-N 489.418 2.259 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCOC(C)(C)[C@H]1C 1722693196 GKIXOOYMAWYWEJ-OAHLLOKOSA-N 459.547 2.277 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(C)=C(Br)C1 1722702518 LZXFVDODPKHADV-YOEHRIQHSA-N 454.369 2.183 30 10 JEEE C=CCNC(=O)Cn1c(N2Cc3ccccc3O[C@@H](C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1722704204 QFWFYGNHGAGNLF-MHECFPHRSA-N 455.559 2.408 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1722729041 WDMGBQNUHSMZIR-UHFFFAOYSA-N 466.696 2.072 30 10 JEEE CC(=O)Nc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(CC#N)CC2)cc1 1722800673 ASHBGZZGEPGZCN-IBGZPJMESA-N 456.572 2.317 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2CCS(=O)(=O)CC2CC2)c1 1740562582 KMGHNECXBKGITQ-UHFFFAOYSA-N 480.594 2.165 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)ccc2Br)n1C[C@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1740618864 KZIUFSYXVHTIFJ-LSDHHAIUSA-N 497.415 2.378 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCCCCOC)[C@H]1CCS(=O)(=O)C1 1740620981 YXMFCIKVLYHROY-INIZCTEOSA-N 484.420 2.479 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCc1nccs1)[C@@H]1CCS(=O)(=O)C1 1740627102 YCHZSAGWCVPRSC-GOSISDBHSA-N 459.572 2.334 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CCC2CCOCC2)CC1 1740706868 GLCNZCVOHRIJOM-UHFFFAOYSA-N 456.616 2.416 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](c2nccs2)C1 1740709291 LUUPTVULHDJYEH-OAHLLOKOSA-N 455.569 2.326 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(CC(=O)NCC)CC1 1740761333 VVINIJRXKRNMEV-RDPSFJRHSA-N 470.593 2.247 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1740762271 CQEZUKCNCKYIDM-BVZALQNUSA-N 472.615 2.213 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1740778541 JMSYUCIDPPQZGG-UHFFFAOYSA-N 466.567 2.282 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](c2ccc(OC)cc2)C1 1740782614 WTQGCSXPPFYUCQ-QUCCMNQESA-N 461.588 2.190 30 10 JEEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCS(=O)(=O)C(C)(C)C 1740900233 NLOVXWVHBONFPI-MRXNPFEDSA-N 471.624 2.422 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CN2CCCC2=O)n1C[C@@]1(O)CCSC1 1740914337 PMEAOXGNSZHLTE-QHCPKHFHSA-N 457.600 2.470 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cnccn2)n1CCC(=O)N1CCOCC1 1740915565 LBGZACCAQQZYCU-UHFFFAOYSA-N 463.542 2.185 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)C1CCN(C(=O)c2ccccc2)CC1 1740965103 DEXWOPWOSGNZLF-REWPJTCUSA-N 496.612 2.045 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)CCC(=O)NC 1740987196 BUNRFLWFLYVWFG-OAHLLOKOSA-N 465.645 2.305 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1C[C@@H]2OCO[C@@H]2C1 1740987699 XQFXJOVFLJBPPP-RLLQIKCJSA-N 462.572 2.197 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1C[C@@H]1CCN(CCc2ccccc2)C1 1741917434 FHEASJJLSWLOMV-SIKLNZKXSA-N 485.658 2.193 30 10 JEEE C[C@H]1CN(CCCn2c(-c3cc(Br)c[nH]3)nnc2N2CCO[C@H](C#N)C2)CCCO1 1743334627 CHNNUVOXKCTWQO-DOTOQJQBSA-N 478.395 2.265 30 10 JEEE C#CCCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCO[C@H](CNC(C)=O)C1 1748710733 ZKGGYANEAOWBDE-HXUWFJFHSA-N 491.596 2.210 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCc1c[nH]c2cccc(C)c12)[C@@H]1CCS(=O)(=O)C1 1748801652 DDRUHIOHZHCVAX-LJQANCHMSA-N 482.610 2.075 30 10 JEEE C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@@H]1CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1748804173 DZRZDRHSRCMGID-FHWLQOOXSA-N 452.621 2.455 30 10 JEEE C#CCN(c1nnc(-c2c[nH]c3ccccc23)n1CCNC(=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1748811190 DAADJCGMSMQJPA-QGZVFWFLSA-N 482.610 2.215 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CCc1ccccn1)[C@@H]1CCS(=O)(=O)C1 1748824941 UNFOYLMTRUZAJK-HXUWFJFHSA-N 469.542 2.261 30 10 JEEE COc1cccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@](C)(C#N)C2)c1OC 1748954641 BADOKVVNALMXBC-VGOFRKELSA-N 459.572 2.376 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCOCCC=C)CC1 1749010288 KUCUMQFODSDNBV-UHFFFAOYSA-N 465.554 2.275 30 10 JEEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2ccccc2)CC1 1749392001 XFQRBUISRWHFGJ-SFHVURJKSA-N 460.604 2.207 30 10 JEEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1749459249 CWUCUHLDVZRAAY-IBGZPJMESA-N 450.609 2.136 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC(c3nccs3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1749682087 OGJNNRMNCBGGBF-JOCHJYFZSA-N 460.604 2.461 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCN2CCOC[C@H]2C)C1 1749701821 ZCZBERZBBVPUES-UYAOXDASSA-N 457.575 2.464 30 10 JEEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCN(CC(F)(F)F)C2)CC1 1749873460 HIGZEXLMCIUPQL-IBGZPJMESA-N 477.535 2.469 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCN1CCN(C)C(C)(C)C1 1750066054 FZOPCTPBFYAMEU-SFHVURJKSA-N 453.591 2.338 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCc1ccc(F)c(F)c1)[C@H]1CCS(=O)(=O)C1 1760188204 NJSPGOKMDIEGEX-MSOLQXFVSA-N 464.538 2.320 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@H]1CCCN(C(C)=O)C1)[C@@H]1CCS(=O)(=O)C1 1760191970 ORKNBTNHMJIRDZ-FCHUYYIVSA-N 499.637 2.051 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC1([S@@](C)=O)CCC1 1760197493 YPBAGWZMCUUENC-JGCGQSQUSA-N 456.568 2.345 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CN(CC(C)C)CCO1 1760240929 IJXNKPUXFIRQFS-FGZHOGPDSA-N 468.577 2.365 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(F)cc3Br)n2CC(=O)NCC2CC2)CC1 1760256082 LDIOPVPOERIJCS-UHFFFAOYSA-N 475.366 2.128 30 10 JEEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@@H]2CN(CC(C)C)CCO2)CC1 1760262919 GTQCXBLCGBNODO-VWLOTQADSA-N 480.657 2.184 30 10 JEEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1760287082 FQLITQXVKRMNTB-ROUUACIJSA-N 478.688 2.372 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1CCN(Cc2ccccc2)C1 1760374343 MVEQTNLYYWZACC-UXHICEINSA-N 495.049 2.074 30 10 JEEE C=CCN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCC(=O)N1CCOCC1)C1CC1 1760470048 KHTZVAWLSVGBOB-UHFFFAOYSA-N 472.977 2.265 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 1760549031 VFVGQSKTOHEHLO-HOTGVXAUSA-N 452.581 2.477 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(F)cc2Br)nnc1N1CCO[C@@H](C#N)C1 1760553790 ZPXDEJDMDZMRMT-AWEZNQCLSA-N 484.351 2.176 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCN(CC(F)F)CC1 1760554331 ABTXZAQHNNOHJJ-UHFFFAOYSA-N 475.512 2.135 30 10 JEEE CC[C@@H](C)NC(=O)CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCO[C@@H](C#N)C1 1762031502 DZJOUTOYXNZLPA-WBVHZDCISA-N 472.546 2.004 30 10 JEEE COc1ccc([C@H](C)CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)cc1 1768425235 AGDZOURPWJKGFT-IMFGXOCKSA-N 459.572 2.111 30 10 JEEE COCCN(CCC#N)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H]1CCCCS1(=O)=O 1769845034 GGKOBGHTTYKCCR-XLIONFOSSA-N 475.571 2.124 30 10 JEEE COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC(C)(C)C)nc1 1771111976 BYJXYRIUHVASLO-SFHVURJKSA-N 476.603 2.167 30 10 JEEE COc1cc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCNC(C)=O)cc(OC)c1O 1862487666 GRAAOPXLJNTBAY-FQEVSTJZSA-N 454.479 2.432 30 10 JEEE Cc1ccc([C@@H](C#N)NC(=O)[C@@H](CO)NC(=O)c2ccccc2I)cc1 1867859978 CORDIAKGHFWYNZ-IAGOWNOFSA-N 463.275 2.071 30 10 JEEE COc1cc(-n2nnc(C#N)c2NC(=O)c2cccc3c2cnn3C(C)=O)cc(OC)c1OC 1870158426 WNSRGLVJGPGUQX-UHFFFAOYSA-N 461.438 2.427 30 10 JEEE C=CCn1cc(OCC(=O)OCCOCC)c(=O)cc1CN1CCN(c2ccccc2OC)CC1 1870670981 LHIPKGQXMJVZBH-UHFFFAOYSA-N 485.581 2.324 30 10 JEEE C=CCn1c(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc2c(N3CCN(CCO)CC3)ncnc21 1873661477 UKMWCYMUMVXKBD-UHFFFAOYSA-N 465.514 2.201 30 10 JEEE C=CCn1c(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)cc2c(N(CC)CCO)ncnc21 1873670266 NMSOPUCTYJHINL-UHFFFAOYSA-N 463.586 2.440 30 10 JEEE COC(=O)c1ccc(/C=N/n2c(Cc3ccc(OC)c(OC)c3)nnc2SCC(N)=O)cc1 1874237616 BQABPHRTWMHOGQ-WYMPLXKRSA-N 469.523 2.132 30 10 JEEE CC(C)N1C(=O)CS[C@H](C(=O)N(C)C2CN(c3cnccn3)C2)[C@H]1c1ccc(C#N)cc1 1890394650 IIWISOVESNESAZ-YADHBBJMSA-N 450.568 2.089 30 10 JEEE CC1(C)OB(C#CCNS(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)OC1(C)C 1992142733 KKOBHOGEOGVDIM-UHFFFAOYSA-N 460.361 2.007 30 10 JEEE CC(C)(C)OC(=O)N[C@H](C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1)[C@@H](O)C(C)(C)C 2192859966 MQLLESVNODXPSE-LSDHHAIUSA-N 464.372 2.015 30 10 JEEE CC(C)(C)OC(=O)NC/C=C/CNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2247953934 XLXRUWBANYVWOF-CMDGGOBGSA-N 458.411 2.407 30 10 JEEE C[C@@H](CNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)OC(C)(C)C 2255795198 TYBNYHMFVUFVEK-ZDUSSCGKSA-N 475.442 2.117 30 10 JEEE Cc1c(B2OC(C)(C)C(C)(C)O2)csc1C(=O)N[C@@H]1COC[C@@H]1NC(=O)OC(C)(C)C 2255871946 PZVOZRUDRRYBMQ-CABCVRRESA-N 452.382 2.378 30 10 JEEE CC1(C)OB(c2cc(F)ccc2S(=O)(=O)N2CC(NC(=O)OCc3ccccc3)C2)OC1(C)C 2255933924 WBPZQVDAFYHRLV-UHFFFAOYSA-N 490.362 2.424 30 10 JEEE C[C@H](CCCN(C)C(=O)OC(C)(C)C)NC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2267125459 FKCMTPPDXBPWAV-OAHLLOKOSA-N 450.389 2.485 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@](F)(CNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2267140887 UJFDOYXJWOOCCK-KIFPSNHUSA-N 452.336 2.082 30 10 JEEE Cn1nc(C(=O)N2CCC23CN(C(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2267503029 WWQWXRBHEFNWBD-UHFFFAOYSA-N 466.775 2.208 30 10 JEEE CC(C)(C)OC(=O)N1CCOCCN1S(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2267714054 UALAQJCVHZDEQW-UHFFFAOYSA-N 468.381 2.159 30 10 JEEE CN(C(=O)OC(C)(C)C)[C@@]1(C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)CCOC1 2268643000 IPUQSQXGWUGSSL-NRFANRHFSA-N 467.397 2.085 30 10 JEEE CC1(C)OB(c2cnccc2C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)OC1(C)C 2281804775 PMYMAPBXXRCDIN-FQEVSTJZSA-N 451.376 2.402 30 10 JEEE Cn1ncc(C(=O)N2C[C@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]3C2)c1B1OC(C)(C)C(C)(C)O1 2281830344 KUHZXXJHNSWKJK-HZPDHXFCSA-N 460.384 2.048 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](NC(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)C(C)(C)[C@H]21 2281923076 BDBYNDRTNIJTKN-KBMXLJTQSA-N 460.384 2.473 30 10 JEEE CN(C)CCCN(CCNC(=O)OC(C)(C)C)C(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2282020096 UVMOSPYNGWTIAJ-UHFFFAOYSA-N 482.456 2.361 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1C[C@H]2[C@H]1CCN2C(=O)OC(C)(C)C 2282023762 QZWIYQRIYUMFGW-ZOBUZTSGSA-N 460.384 2.095 30 10 JEEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1CCN(Cc2ccccc2)C1(C)C 2282188557 XKSGBYLPHBNDCI-SFHVURJKSA-N 453.396 2.145 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H](NC(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)C[C@H]2C1 2282582648 YNYNNZDLPKWPOQ-HRCADAONSA-N 460.384 2.474 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCC1CC(NC(=O)OC(C)(C)C)C1 2282586950 GHUCVLBDDMVGIQ-UHFFFAOYSA-N 462.400 2.451 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1(C)C 2282589335 MLPWBXPPLJPYJL-UHFFFAOYSA-N 462.400 2.499 30 10 JEEE CC(C)(C)OC(=O)N1CC(C[S@](C)(=O)=NC(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282664765 HMRQKKVWESDYNR-XIFFEERXSA-N 479.408 2.486 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1C[C@H]2NS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282827758 CWFLKOYMWCJNGC-UWWQBHOKSA-N 479.408 2.057 30 10 JEEE CC(C)(C)OC(=O)NC1(C2CN(S(=O)(=O)Cc3ncsc3B3OC(C)(C)C(C)(C)O3)C2)CC1 2282832306 MZENTMGKYAAUBI-UHFFFAOYSA-N 499.464 2.261 30 10 JEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@H]1CCCCN1Cc1ccccc1 2282858122 RXCXUGQRNOKEJZ-LJQANCHMSA-N 474.436 2.052 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCOC[C@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1O 2282883711 DYUNNPRXEYEWGL-IAGOWNOFSA-N 462.352 2.103 30 10 JEEE COCC1(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2O)CN(C(=O)OC(C)(C)C)C1 2282988293 PGWWIVOHGRDASN-UHFFFAOYSA-N 462.352 2.057 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2CCC[C@]2(NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2283071655 HNCFDUSJQXHZOP-CMJOXMDJSA-N 458.368 2.295 30 10 JEEE CC(C)(C)OC(=O)N[C@H](Cc1cnc[nH]1)C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2283945308 AKYCZLMIQGBYDV-MRXNPFEDSA-N 457.340 2.178 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@](C)(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2283955360 LGBNGOLBNHPZTL-QFIPXVFZSA-N 465.331 2.484 30 10 JEEE CC(C)(C)OC(=O)N1CCN(CC(=O)Nc2ccccc2B2OC(C)(C)C(C)(C)O2)C(=O)C1 2283960531 YWOCMSVJDGYOGG-UHFFFAOYSA-N 459.352 2.004 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCOC[C@@H]1CC(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2283975958 WROXKIPCLWNXBS-HOCLYGCPSA-N 481.424 2.378 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@H]2[C@@H]1[C@H]2C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2284039083 WXJZZLYCXQPONV-OWCLPIDISA-N 463.315 2.093 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC(F)(F)C[C@H]2CNC(=O)OC(C)(C)C)n1 2296414673 XHERDQOXUBZOGX-ZDUSSCGKSA-N 470.326 2.094 30 10 JEEE COc1ccc(Cc2nnc(SCC(N)=O)n2N=Cc2ccc(C(=O)O)cc2)cc1OC 2326736120 LXAGQYXUMSKJJT-UHFFFAOYSA-N 455.496 2.044 30 10 JEEE CCN(CC)C(=O)CSc1nnc(COC)n1N=Cc1cc(OC)c(OC)c(OC)c1 2331549040 NHZAHQKADZMZLL-UHFFFAOYSA-N 451.549 2.293 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1Oc1ncc(Cl)cc1B1OC(C)(C)C(C)(C)O1 2339440599 LKMLLQBVOMSFFW-HUUCEWRRSA-N 488.799 2.103 30 10 JEEE CC(C)(C)OC(=O)N(CCO)[C@@H]1CCCN(C(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C1 2362573558 NFEMZAJJZLWDBV-OAHLLOKOSA-N 481.424 2.276 30 10 JEEE COc1nc(N2CCC[C@](CO)(NC(=O)OC(C)(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2365347088 BJHUXAMUIPTCAE-QHCPKHFHSA-N 463.384 2.245 30 10 JEEE CCCSc1nnc(NC(=O)CSc2n[nH]c(N/N=C/c3c(C)nn(CCO)c3C)n2)s1 59887919 LNTPZZOKERBIHM-QGMBQPNBSA-N 496.648 2.141 30 10 JEEE COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCN(C)C)cc1O 170111780 JQYNZTWNYXMBQE-NRFANRHFSA-N 454.479 2.312 30 10 JEEE N#Cc1ccc(OC2CCC(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)nc1 585353331 CTGOWAKZXNKKJL-UHFFFAOYSA-N 470.551 2.094 30 10 JEEE CC(C)NC(=O)Nc1ccccc1C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 610887296 JURLXYBOOLYBOF-UHFFFAOYSA-N 455.540 2.235 30 10 JEEE C#CCN(C(=O)c1ccc(Br)cc1I)[C@@H]1CCS(=O)(=O)C1 729333084 KTVHPRIQZUPDIE-LLVKDONJSA-N 482.137 2.316 30 10 JEEE Cc1nc(S(=O)(=O)N2CCC(C(=O)N3CCC[C@@H]3[C@H](C#N)c3ccccc3)CC2)cn1C 1136915299 BGTNDEZYXNCWKI-NHCUHLMSSA-N 455.584 2.428 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@H](C)CNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1286384321 HRHZSKVFILWOKX-IRXDYDNUSA-N 467.636 2.363 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CSCCS1)[C@H]1CCS(=O)(=O)C1 1286387396 DBVIAZNJYITMBZ-OALUTQOASA-N 473.649 2.292 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCC(=O)N2CCCCC2)CC1 1286474402 IVLQUHRBWVBLSG-UHFFFAOYSA-N 466.586 2.120 30 10 JEEE C=C(Br)Cn1c(N2CCC[C@H](NC(C)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1286547511 HKHBZLRVXYIUSW-LPHOPBHVSA-N 456.385 2.332 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC[C@H](O)C1 1286749758 YPQKEXDEPYPJMD-BJLQDIEVSA-N 495.671 2.416 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CC[C@@H](OCc2ccccc2)C1 1286818483 JEMXZMRIKMTSND-HXUWFJFHSA-N 456.572 2.075 30 10 JEEE C[C@H]1COCCN1CCn1c(CC(C)(C)C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1291308085 HLBWRJVUBKIOKC-IBGZPJMESA-N 452.607 2.181 30 10 JEEE CN(C)C(=O)[C@@H]1CCCN1CCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@@H](C#N)C1 1297953942 AOYITPUBFVORIC-PXNSSMCTSA-N 489.983 2.409 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1C[C@@H]1NC(=O)CC1(C)C)[C@H]1CCS(=O)(=O)C1 1300504360 MPNMCYZBQBHVHH-FPOVZHCZSA-N 499.637 2.015 30 10 JEEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H](c1ccccc1)N1CCOCC1 1300512710 LRWZBOYOIXCPAR-ZEQKJWHPSA-N 463.582 2.077 30 10 JEEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OC)cc1C(F)(F)F 1300602554 RSLGKQQXJAVJOW-ZDUSSCGKSA-N 459.494 2.424 30 10 JEEE C=C(C)COCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1300980041 CLGMFBFBVSGURC-OAQYLSRUSA-N 498.584 2.322 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1301501450 XFWDMNXXVYFAFI-ROUUACIJSA-N 462.595 2.168 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1301509296 FSYXJXFLZRHXMK-UHFFFAOYSA-N 473.537 2.311 30 10 JEEE C=CCS(=O)(=O)CCNC(=O)N1CCC[C@H]([C@@H]2C[C@H](NC(=O)OC(C)(C)C)CCO2)C1 1312353273 FWMKQGRTKMGAAT-KSZLIROESA-N 459.609 2.081 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1CCC=CO1)[C@@H]1CCS(=O)(=O)C1 1358960188 YYQUMMWUAXCPAE-MOPGFXCFSA-N 472.567 2.282 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CC1(CC)CCOCC1)[C@H]1CCS(=O)(=O)C1 1358965118 OGHXHHTZLCECRZ-FQEVSTJZSA-N 457.600 2.097 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1nccnc1C 1359010654 VVMQRMNOBMCTBC-IBGZPJMESA-N 455.563 2.387 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCc2cc(C)ccc2OC)CC1 1359041647 DLOFXXONOVBPJC-MHZLTWQESA-N 495.624 2.456 30 10 JEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(F)cccc1N1CCCC1 1359240418 NTYZWDNYVQPHCU-HXUWFJFHSA-N 478.594 2.021 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCCS(=O)(=O)C1 1359254657 YXNFHLFJZUUWKH-QUCCMNQESA-N 473.599 2.255 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCCS1(=O)=O 1359263961 QQTHTCNVNZNKKC-AEFFLSMTSA-N 484.669 2.402 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC(Cn3cc(C)cn3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1359305901 QDJRBRGIKWESAP-DEOSSOPVSA-N 471.606 2.042 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2N(C)CCCC2(C)C)C1 1359322454 VXZOFSHMNQEYKD-OTWHNJEPSA-N 451.637 2.082 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@@H](C(N)=O)C1 1359328173 WENPYPAKZMNDOG-JKSUJKDBSA-N 482.006 2.374 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1ccccc1CN1CCCC1=O 1360692857 AOHJYKXEKQZFNG-UUOWRZLLSA-N 499.641 2.189 30 10 JEEE COC(=O)N1CCC(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCOC[C@@H]2C)CC1 1503886621 AVKHVAXIIQBWIF-KRWDZBQOSA-N 454.531 2.432 30 10 JEEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC2CCOCC2)CCN1S(C)(=O)=O 1505282482 HSYFDJLCVJZNNX-KRWDZBQOSA-N 458.588 2.104 30 10 JEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1CC2(CCOCC2)C1 1507606437 LUGKDWZUPQXRLP-UHFFFAOYSA-N 457.600 2.472 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1Cc1nc(C)cs1)[C@H]1CCS(=O)(=O)C1 1507624598 CCCPGNCLSUVHDE-KRWDZBQOSA-N 487.607 2.402 30 10 JEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1Cc1cccc(CN2CCOCC2)c1 1507656279 DYRIMWTYNPSDQJ-UHFFFAOYSA-N 488.617 2.223 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](OC)c1ccc(Cl)cc1 1507690690 VEARRZBNVZXUOX-RTBURBONSA-N 482.006 2.112 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(C3CC3)n2CC2CCN(C(=O)OC)CC2)n1 1507716998 PPTUYERVFQBWRG-UHFFFAOYSA-N 455.563 2.117 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1507799256 VQEBBRXWJPBQQG-REWPJTCUSA-N 468.602 2.145 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccccc2OC)nnc1N1CCN(C(=O)NC)CC1 1507804351 KMGBAPDBBXDTOM-DENIHFKCSA-N 454.575 2.320 30 10 JEEE C=CCCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1507953002 ZKWSLKXULGRZQH-PGRDOPGGSA-N 454.623 2.095 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1508073329 JVBAXQDEOFEEQI-CJAUYULYSA-N 485.585 2.427 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N(C)CCc1nccs1 1508074280 RJHHAABRDMIUPU-UHFFFAOYSA-N 464.393 2.484 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1508092409 BTAQCTGGVUVVGQ-KRWDZBQOSA-N 459.522 2.073 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Br)cc3)n2CC(=O)N2CCOCC2)C1 1508118394 RSJCOGLNQYEMIF-GOSISDBHSA-N 476.375 2.348 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCN(c2ccc(F)cn2)CC1 1508135720 OGJLEKSBIRIHNY-UHFFFAOYSA-N 486.573 2.415 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(C(N)=O)CCOCC1 1539012761 KQUIIDFMQGZTAE-QZTJIDSGSA-N 474.606 2.133 30 10 JEEE C#CCCCCn1c(COc2cccc(C)c2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1539078575 ABNIIOAJJWNMEU-UHFFFAOYSA-N 466.586 2.142 30 10 JEEE C#CCCCn1c(N2CCC(CC(=O)N3CCN(CC)CC3)CC2)nnc1[C@]1(OCC)CCOC1 1539141616 WIVRTYHNRLGJIB-SANMLTNESA-N 486.661 2.114 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CC[C@@H]1CCO[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1539224020 BRRXQWIPSURVMC-ZVDOUQERSA-N 457.600 2.096 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC[S@](=O)C(C)(C)C 1539305278 VLMGIAQTWOSBBB-PMERELPUSA-N 460.625 2.359 30 10 JEEE C#CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1(N(C)C)CCC1 1539400693 JZUIXWZSZFYWPI-UHFFFAOYSA-N 473.647 2.117 30 10 JEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2nnc(C(C)(C)C)s2)CC1 1539459297 COULKSDVINXSNA-UHFFFAOYSA-N 453.620 2.092 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCCc2ccccc2F)CC1 1539467359 RWKVFJXPMZCQIF-UHFFFAOYSA-N 454.550 2.154 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2Cc2cccnc2OCCC)CC1 1539484437 PAQUVGQITJKPQJ-UHFFFAOYSA-N 473.581 2.462 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2ccccc2-c2cnn(C)c2)CC1 1539488888 DRXYCWNIVMQMDW-UHFFFAOYSA-N 461.570 2.229 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN(C)C(=O)OC(C)(C)C 1539556832 ICLNBNKTRKPCFX-HTAPYJJXSA-N 465.620 2.429 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@H]1[C@H]1CCCO1 1540864231 SUFHLZLNONVVMZ-DOTOQJQBSA-N 463.380 2.496 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N(C)[C@@H]1CCN(Cc2ccccc2)C1 1540903011 WGSBSUXPTYTHRV-NHCUHLMSSA-N 459.616 2.094 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cn2ccc3ccccc32)nnc1N1CCCN(CCC)C(=O)C1 1540907528 ZKONGQHPRLDNQA-UHFFFAOYSA-N 484.626 2.331 30 10 JEEE CCO[C@@]1(c2nnc(N3CCC(CC#N)CC3)n2C[C@H](C(C)C)N2CCOCC2)CCOC1 1547887610 AONKTVWYLSEGRB-QPPBQGQZSA-N 460.623 2.417 30 10 JEEE COC[C@@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1555230786 AJQNZKXUYXBPDB-SFHVURJKSA-N 452.559 2.174 30 10 JEEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 1587783609 UUSCROGYKQLJDX-FGZHOGPDSA-N 483.661 2.021 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCCC(=O)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1588040113 IGZYREKBVJFONP-GOSISDBHSA-N 493.033 2.269 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1CCOC(C)C)[C@H]1CCS(=O)(=O)C1 1588040569 OPGQYWDXVHNHKD-KRWDZBQOSA-N 462.572 2.014 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1ccc(OC)c(OCC)c1)[C@@H]1CCS(=O)(=O)C1 1588065204 VYBOARYBCSAOKL-OAQYLSRUSA-N 495.605 2.346 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC(C)(C)C(=O)NC 1589197506 GOXKJGFVVUNFLJ-RUZDIDTESA-N 461.570 2.439 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc3c(c2)CCCN3C)C1 1595672896 DIMKUWKDIDIBMI-FXAWDEMLSA-N 474.631 2.100 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CC[S@](=O)CC)C1 1595682223 YXESZNMBJJCMRX-HYJWCJBQSA-N 480.660 2.097 30 10 JEEE C=CCn1c(S)nc2cc(C(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)ccc2c1=O 1611237661 MYWJDRKBKWQJRB-LJQANCHMSA-N 459.531 2.274 30 10 JEEE CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)N2CCC(C)CC2)CC1 1615938272 CSCWQLVFSBYHRJ-NRFANRHFSA-N 478.645 2.195 30 10 JEEE N#CCC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCn2cc(Br)cn2)CC1 1620357199 CPRWBPWKWDVLLJ-MRXNPFEDSA-N 496.435 2.360 30 10 JEEE C#CCNC(=O)CN1CCCN(C(=O)c2nc(-c3ccc(F)cc3)n3c2CCCCC3)CC1 1628143326 LQTOOVPSHOEJGH-UHFFFAOYSA-N 451.546 2.313 30 10 JEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C[C@H]2CCCc3ccccc32)C(=O)OC)c1 1638154826 AZVLHJXTMLPOHP-GCJKJVERSA-N 454.548 2.380 30 10 JEEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1ccccc1CC(=O)OC 1640512448 CVOJMNLVZJDSLH-LJQANCHMSA-N 457.552 2.316 30 10 JEEE C#Cc1cccc(NC(=O)NC(=O)CN2CCNC(=O)[C@H]2c2ccccc2Br)c1 1645178511 PEOBFBJHDVSRGK-LJQANCHMSA-N 455.312 2.252 30 10 JEEE C=CCOc1ccc(Br)cc1NC(=O)NCCC(=O)N1CCN(C(C)=O)CC1 1672708034 CMFHTZCMPPQNDT-UHFFFAOYSA-N 453.337 2.216 30 10 JEEE CNS(=O)(=O)NC1CCN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CC1 1673627424 BCDPXCWYYXVWIJ-UHFFFAOYSA-N 457.556 2.382 30 10 JEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@H]3CCCN(c4ccccc4)C3)CC2)cc1 1677711174 BPCVRAKZYPNDKG-FQEVSTJZSA-N 453.568 2.243 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@@H]1CCCN1CCC)[C@@H]1CCS(=O)(=O)C1 1689997154 WRZMFARIBGBTGS-VQTJNVASSA-N 489.617 2.497 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H]2CCN(CCC)C2)CC1 1690117468 IVZJJTJNIBNIQS-FQEVSTJZSA-N 452.603 2.449 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2CCCN2CCCO[C@@H](C)C2)CC1 1690150397 GFULHVQIVIFDIR-NRFANRHFSA-N 470.662 2.478 30 10 JEEE C#CCSCCn1c(N2CCC[C@H](NC(=O)OCC)C2)nnc1[C@]1(OCC)CCOC1 1690186093 LIDMYKQYMMGKOT-UWJYYQICSA-N 451.593 2.012 30 10 JEEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1690321955 PRSYGPYPIIOUKE-MXBUBSDBSA-N 450.580 2.369 30 10 JEEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CN(C)C(=O)OC(C)(C)C)CC1 1690643825 XRMGTXARXZRRIV-QGZVFWFLSA-N 453.609 2.450 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1690660916 QVNWUJUEUOZXJU-RBBKRZOGSA-N 496.612 2.165 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](CN2CCC(C)CC2)C1 1690714626 QDSOEGMQNUNQML-OAQYLSRUSA-N 492.690 2.063 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](CC)c2ccccc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1690715330 IZOJPWZLYIBJKM-OAQYLSRUSA-N 497.625 2.008 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2OC)nnc1N1CCS[C@H](C)C1 1690729536 PFESEWJAGONITC-MRXNPFEDSA-N 452.602 2.408 30 10 JEEE COCC[C@](C)(O)Cn1c(COc2ccc(Br)cc2)nnc1N1CCO[C@@H](C#N)C1 1697934327 CDLNUQKIDQWQPF-PXNSSMCTSA-N 480.363 2.136 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCCOCC1CC1)[C@H]1CCS(=O)(=O)C1 1705563396 WSDUADXKISBBBF-SFHVURJKSA-N 463.991 2.437 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCN(CC)CCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1705566760 PZOXJJHEJNNFFO-MSOLQXFVSA-N 491.580 2.073 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H](C)N(C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1705567411 XUJCOGQOLBIXCX-ICSRJNTNSA-N 452.584 2.425 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CCC1(OC)CCC1)[C@H]1CCS(=O)(=O)C1 1705569044 YOUVYVBTIBOFDH-FQEVSTJZSA-N 483.594 2.315 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CCN(CC)C1CC1)[C@H]1CCS(=O)(=O)C1 1705571432 ZGRATZILSNNCRJ-SFHVURJKSA-N 477.581 2.258 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@]1(O)CCN(C)C1 1705619695 ZCJAIEBUMXKBQM-DQEYMECFSA-N 471.577 2.164 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@@H]2CCC[C@@H](O)C2)CC1 1705633963 DFVZTTDHVYYZMM-UYAOXDASSA-N 469.586 2.277 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H]2CCOC[C@H]2C)CC1 1705635175 SNMZVBVMSOYIRJ-IAGOWNOFSA-N 461.408 2.474 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H](OC)C(C)(C)C)CC1 1705640270 LVGCYJNLSZKGGO-UXHICEINSA-N 490.649 2.403 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H]2CCCCO2)CC1 1705643639 NMVLVCXHDDEAKA-HSALFYBXSA-N 458.607 2.373 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC(C)(C)CN2CCCC2)CC1 1705652578 FKBPJWZRXXCUBX-VXKWHMMOSA-N 486.661 2.090 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1CC[C@@H](SCC)C1 1705754648 CJKIANPTTGLBDD-XHSDSOJGSA-N 464.057 2.474 30 10 JEEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1705907073 YYXBXVXCQGEBDO-HXUWFJFHSA-N 468.602 2.157 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)N2CCc3ccccc32)C1 1705917710 YSCMYSVDMGKHQQ-WSTZPKSXSA-N 474.631 2.121 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCC(CC(=O)N(C)C)CC1 1705934940 BJQKZJAKHHMBCP-UHFFFAOYSA-N 477.606 2.304 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1705938002 KOJKZWMPPBJSFP-WMZHIEFXSA-N 476.599 2.151 30 10 JEEE Cc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H](C(C)C)N2CCOCC2)cc1 1707550639 DEQWZXUBZFXRKY-FCHUYYIVSA-N 454.575 2.251 30 10 JEEE CCNC(=O)C1(Cn2c(-c3sc(N4CCOCC4)nc3C)nnc2N(C)C[C@H](C)C#N)CCC1 1710317526 GIPKFVJTCHDSBS-MRXNPFEDSA-N 486.646 2.449 30 10 JEEE CO[C@@H](C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1711506338 HEPZZKKDQRDSKW-KRWDZBQOSA-N 494.987 2.490 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1722276203 GEQTWJCEQUDEPM-LSDHHAIUSA-N 496.431 2.456 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(COC)CCOCC1 1722280916 YTPYPTGCYURFMA-SFHVURJKSA-N 475.615 2.097 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCCO3)n2CC[C@@H]2COCCO2)c1 1722308966 IDDQJVDQZCPFRE-NHCUHLMSSA-N 453.543 2.381 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1C[C@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1722364602 LZZXXOHBRQFFGC-OKZBNKHCSA-N 463.579 2.134 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccccc2Cn2cccn2)CC1 1722430130 YCHTVGUIKLZXKU-UHFFFAOYSA-N 474.613 2.245 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC(=O)N(C)C)CC1 1722443579 WGAOOQPHLWVRDL-UHFFFAOYSA-N 450.587 2.297 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CCOc2cccc(F)c2)CC1 1722448632 FHGKSVLHEVAZTG-UHFFFAOYSA-N 462.529 2.448 30 10 JEEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](COC(C)C)C1 1722455779 VYKXGALBQVUQEH-LJQANCHMSA-N 478.640 2.345 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCn2cc(C)nc21 1722517904 PEYXTKQYAJVHKH-MOPGFXCFSA-N 477.635 2.096 30 10 JEEE C=C(C)COCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C(=O)NCC)CC1 1722530304 RBBNRFSGOKMGPP-UHFFFAOYSA-N 458.563 2.407 30 10 JEEE C=C(C)COCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](OC)[C@H](OC)C1 1722533049 FUFKPPGVHCHBII-GBESFXJTSA-N 481.594 2.029 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1722536147 CALSTFNMYFMBAG-WWNPGLIZSA-N 474.650 2.144 30 10 JEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](C)CNC(=O)OC(C)(C)C)CC1 1722574931 TYLMRIFITWRDIX-HZPDHXFCSA-N 470.640 2.452 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCC2(CC1)CNC(=O)C2)C(C)C 1722663280 UGLSYFXHYUCTMF-NRFANRHFSA-N 483.661 2.319 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1722695988 WWKGQFMYOLISJF-KRWDZBQOSA-N 469.981 2.421 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCOC[C@@H]2C)C1 1722721115 CMUZNZNXGSDVPM-SIKLNZKXSA-N 452.559 2.231 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1722752171 XRHAVQLOCXMXQP-UHFFFAOYSA-N 489.520 2.342 30 10 JEEE C[C@@H]1C[C@@H](CCn2c(-c3cccc(C#N)c3)nnc2N2CCCN(S(C)(=O)=O)CC2)CCO1 1726471234 GDHIBKKDCUBROM-MOPGFXCFSA-N 472.615 2.494 30 10 JEEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 1729220543 ALPCNRBGPDEZER-NRFANRHFSA-N 482.614 2.411 30 10 JEEE CO[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2C#N)CC1)C(C)(C)C 1729879334 GMDNCHLJOUEJMB-UYAOXDASSA-N 451.575 2.489 30 10 JEEE N#Cc1ccc(-c2nnc(N3CCNC(=O)C3)n2Cc2ccnc(OCC(F)(F)F)c2)cc1 1731184117 ASJDOXDCNZJECS-UHFFFAOYSA-N 457.416 2.137 30 10 JEEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1740596925 NDUMFIPTCMOWJP-IFMALSPDSA-N 456.635 2.355 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1740616733 FYUXBTXXFJGLOU-XKGZKEIXSA-N 495.001 2.114 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@](C)(OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1740618202 DZLRRPYGAXVJCM-DENIHFKCSA-N 473.555 2.295 30 10 JEEE C#CCN(c1nnc(-c2cc(C)nc3ccccc23)n1CCOCCOC)[C@@H]1CCS(=O)(=O)C1 1740619407 OBFJYLGPAWREOO-LJQANCHMSA-N 483.594 2.091 30 10 JEEE C#CCN(c1nnc(COCC)n1Cc1coc(-c2ccc(C)cc2)n1)[C@@H]1CCS(=O)(=O)C1 1740628119 NOLYXPHZLWQJSU-HXUWFJFHSA-N 469.567 2.453 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(S(C)(=O)=O)CC1 1740638570 ODPIHDJGEYHEOS-GOSISDBHSA-N 475.615 2.043 30 10 JEEE C=C(Br)Cn1c(-c2cccnc2)nnc1N1CCN(c2nccc(OC)n2)CC1 1740742197 GJHVVMRCMLQVSI-UHFFFAOYSA-N 457.336 2.374 30 10 JEEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C)C1CC1 1740905638 DESMWXNFHMIIGT-CABCVRRESA-N 456.613 2.299 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cc2ccccn2)n1C[C@@]1(O)CCS(=O)(=O)C1 1740913181 AABONHOTEYALOD-DEOSSOPVSA-N 483.594 2.015 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@H]2CCC[C@@H]21 1740953800 RGLPLFYTVTZWLX-XLIONFOSSA-N 472.615 2.267 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC2CCN(C(C)=O)CC2)C1 1740973318 VJBDIZXSWMSCMY-QPPBQGQZSA-N 461.607 2.359 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1740986419 XDCSXKPQLRCUPM-PMSBKCLSSA-N 487.626 2.345 30 10 JEEE Cc1cccc([C@H](Cn2c(C(=O)NC(C)C)nnc2N2CC[C@@](F)(C#N)C2)N2CCOCC2)c1 1742303671 AAXKMEKNLZRFHW-GBXCKJPGSA-N 469.565 2.240 30 10 JEEE C#CCCCCn1c(Cc2cn3ccccc3n2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1748719303 WRJRYLDTPYWRIC-UHFFFAOYSA-N 469.615 2.180 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1CCCC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1748809935 RCDNTSIJVBRQEI-INIZCTEOSA-N 481.981 2.233 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@H](C)CN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1748818388 BEJBOWOSJZNRRB-IRLDBZIGSA-N 470.643 2.013 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(Br)c2)n1CC1(C(N)=O)CCOCC1 1748951692 YTWKYSAFXRVNGP-UHFFFAOYSA-N 476.375 2.076 30 10 JEEE C=C(C)CN(CC)c1nnc(Cc2csc(C)n2)n1CCS(=O)(=O)N1CCSCC1 1749163011 ACVPEGOYEYLZOH-UHFFFAOYSA-N 470.690 2.415 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](CN2CCCCC2)C1 1749230285 WKPRVZIIRPWWCS-UXHICEINSA-N 451.637 2.085 30 10 JEEE C=CCCOCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1749456794 ATXMLCSPPZXSOU-NRFANRHFSA-N 457.550 2.428 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nc(C(C)(C)C)cs1 1749600329 WCHHIZKZAVALMF-INIZCTEOSA-N 498.675 2.052 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1749682047 NPODURZZEGBJOF-GAJHUEQPSA-N 473.599 2.265 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCCSc1ccccc1)[C@H]1CCS(=O)(=O)C1 1760181863 COMLUQUBUFIZJW-SFHVURJKSA-N 475.640 2.225 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@](C)(OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1760189005 FHAFTEZJRDXRAF-XXBNENTESA-N 460.575 2.450 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1CCc1ccccn1)[C@H]1CCS(=O)(=O)C1 1760191162 BURYUONDWFHSRM-NRFANRHFSA-N 465.579 2.430 30 10 JEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCN1CCC[C@H]1C 1760195488 COQOXGJBDNFMEW-GOSISDBHSA-N 453.616 2.104 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)N2C[C@@H](C)O[C@H](C)C2)CC1 1760256068 SDVXTTGOWOYHDF-NHCUHLMSSA-N 461.614 2.460 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@H](C)N2CCOCC2)CC1 1760267693 WRCAMJAMKXENHY-QGZVFWFLSA-N 488.995 2.424 30 10 JEEE C#CCSCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CC[C@@H](OC)C1 1760284374 LLWVMEKLEDKRCL-JOCHJYFZSA-N 454.644 2.234 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)c(OC)c2)n1CC1(C(N)=O)CCOCC1 1760292164 RPXXWLAIHVBGBI-HSZRJFAPSA-N 453.543 2.237 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1760358583 XAUZYRAIRAYSPJ-HNNXBMFYSA-N 464.510 2.121 30 10 JEEE C=CC1CCN(c2nnc(CNC(=O)c3cccs3)n2CC2CCS(=O)(=O)CC2)CC1 1760405607 ZBQVZTIIOGZHRV-UHFFFAOYSA-N 463.629 2.497 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1760517366 KTBNRFQJLIODSV-SJLPKXTDSA-N 471.558 2.278 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 1760552631 VMTPWYPHEYXTPP-SFHVURJKSA-N 461.510 2.404 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C/C(C)=C\c1ccccc1 1760554907 QKOIZPQMFDDRMT-XLEPWJDSSA-N 478.640 2.321 30 10 JEEE CCN(CC)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1765017016 HUQLIBIRQDFCSH-HXUWFJFHSA-N 476.589 2.081 30 10 JEEE CO[C@]1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(CC(=O)N(C)C)CC2)CCOC1 1768213030 HMCOJCCKRQDLKI-DEOSSOPVSA-N 452.559 2.317 30 10 JEEE CN(CCC1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1CCC(=O)N1CCOCC1 1768866704 BCZYIKAMMHSKGQ-UHFFFAOYSA-N 452.559 2.319 30 10 JEEE N#Cc1ccc(N2CCN(c3nnc(-c4cccnc4)n3CC(=O)NCC(F)F)CC2)c(F)c1 1771533315 HEIFEIBOOQNMKP-UHFFFAOYSA-N 470.459 2.059 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)COc3cccnc3NC(=O)N3CCN(CC)CC3)cc21 1858829375 KNKCQZNTTFBRAH-UHFFFAOYSA-N 479.537 2.424 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)COc3cccnc3NC(=O)N3CCCNCC3)cc21 1858829630 NIULYVGTMAGPAQ-UHFFFAOYSA-N 465.510 2.082 30 10 JEEE C=CCNC(=O)[C@H](CCSC)NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccc3c(c1)OCO3)C2=O 1861509882 YOHNQUXLUDSLAX-IBGZPJMESA-N 495.557 2.365 30 10 JEEE C=CCNC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@@H]1CC(=O)N(c2ccc(C(=O)OCC)cc2)C1 1861612059 ZYGCLWLWIRWGMT-DENIHFKCSA-N 481.524 2.385 30 10 JEEE C=CCn1c(C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc2c(N3CCC[C@H](C)C3)ncnc21 1873593051 CNMNBVJWDYVYSV-INIZCTEOSA-N 468.583 2.431 30 10 JEEE CC(C)(C)OC(=O)NCCN(CCNC(=O)OC(C)(C)C)S(=O)(=O)CC1(C#N)CCC1 2006286490 GJIVIJSFVYLRQE-UHFFFAOYSA-N 460.597 2.361 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@@](O)(C(=O)NCc2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2183289853 VWBYECFBNGDFIC-DEOSSOPVSA-N 460.380 2.364 30 10 JEEE CS[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2255703496 SWYTXXFGGOYWMR-CVEARBPZSA-N 451.398 2.395 30 10 JEEE CC1(C)OB(c2n[nH]cc2C(=O)N2CCC[C@H](CNC(=O)OCc3ccccc3)C2)OC1(C)C 2255827851 NTWKQPOZIWKPAK-GOSISDBHSA-N 468.363 2.488 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](NC(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2Cl)C1 2267007962 BBHCBMGRNUQRII-CVEARBPZSA-N 466.771 2.349 30 10 JEEE CC1(C)OB(c2ccc(C(=O)NC[C@H]3CN(C(=O)OCc4ccccc4)CCO3)nc2)OC1(C)C 2267270550 LUSLMKCVZOVMJB-FQEVSTJZSA-N 481.358 2.148 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)[C@@H]2COC[C@H]12 2267287352 USRHEZPRQBZULF-RBSFLKMASA-N 464.393 2.411 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](CNS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2267467777 FYBKNPZSSMKNTB-AWEZNQCLSA-N 487.453 2.119 30 10 JEEE CCN(C(=O)OC(C)(C)C)[C@@H](C)CNC(=O)c1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C 2267503412 CVLAFBJYSJREGI-AWEZNQCLSA-N 450.389 2.403 30 10 JEEE CC(C)(C)OC(=O)NCC1CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)c(F)c2)C1 2267709320 ZKJNOCJAFIIROH-UHFFFAOYSA-N 470.372 2.270 30 10 JEEE CC(C)(C)OC(=O)NC1(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)CC(C(F)F)C1 2268672914 WBEMGZUGCFCQKQ-UHFFFAOYSA-N 474.339 2.136 30 10 JEEE C=C(CS(=O)(=O)N1C[C@@H](COC)C[C@@H]1CNC(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2273806870 DXOHOQDQBOGSMY-DLBZAZTESA-N 474.429 2.365 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NC[C@@H]2[C@@H](OC)[C@H](OC)CN2C(=O)OC(C)(C)C)C1 2281273886 YQLRMYMHNVQNMV-LDVHVOOHSA-N 481.590 2.059 30 10 JEEE Cc1c(C(=O)N[C@H]2C[C@H](C)CN(C(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281806671 LDXOYGDQKABLCH-HOCLYGCPSA-N 462.400 2.403 30 10 JEEE C[C@H]1C[C@H](CNC(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2281808830 DROGREFUSDTILE-JKSUJKDBSA-N 462.400 2.485 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(F)c(C(=O)N[C@H]2COC[C@@H]2NC(=O)OC(C)(C)C)c1 2282019893 RQCIEABKMXBWIL-IRXDYDNUSA-N 464.343 2.455 30 10 JEEE CC(C)(C)OC(=O)NC[C@]1(C)CCN(S(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282297280 DUAWDZIECVKSCH-QFIPXVFZSA-N 481.424 2.306 30 10 JEEE C[C@@H]1CCN(S(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C[C@H]1NC(=O)OC(C)(C)C 2282350566 OVINTRVONQALCG-CRAIPNDOSA-N 481.424 2.305 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](O)CN1C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2282475618 RBGFOPTXDOZBGP-HZPDHXFCSA-N 464.343 2.225 30 10 JEEE COc1ccc(S(=O)(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2282505238 APBQZPVDUPHDHA-OAHLLOKOSA-N 482.408 2.282 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2CCO[C@@]2(CNC(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)C1 2282517351 ANMXNDWAKSWMPJ-PEBXRYMYSA-N 479.408 2.198 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1[C@H]2CCCN(C(=O)OC(C)(C)C)[C@H]21 2282590260 YSGFYUGTLUSLBX-DJIMGWMZSA-N 460.384 2.330 30 10 JEEE CC(C)(C)OC(=O)NC1[C@H]2CC[C@H]1CN(C(=O)c1ncc(B3OC(C)(C)C(C)(C)O3)cn1)C2 2282624884 OHHLKGDNDOAVNQ-GJZGRUSLSA-N 458.368 2.151 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(O)cc2O)C1 2282969105 YXDDQXPTYVCLSS-JCQPUDPBSA-N 460.336 2.136 30 10 JEEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)C2 2283056646 PGPMRSBRZQAJMJ-MUJYYYPQSA-N 458.368 2.436 30 10 JEEE C[C@H](NC(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O)c1nscc1B1OC(C)(C)C(C)(C)O1 2284012503 WRCUXJCHFHWQQG-SQWLQELKSA-N 481.424 2.237 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)OC(C)(C)C1 2284136670 FGZNSYINNCWASB-OLZOCXBDSA-N 482.412 2.049 30 10 JEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C(=O)N[C@H]2CCC=C2B2OC(C)(C)C(C)(C)O2)[C@H]1OC 2284144471 YIADYLKKTLVJHN-MHORFTMASA-N 466.384 2.472 30 10 JEEE CC1(C)OB(c2cnc(C(=O)N3CCC[C@@H](NC(=O)C(F)(F)F)CC3)c(F)c2)OC1(C)C 2286118327 ZKKGWUXNEVOFLN-CYBMUJFWSA-N 459.249 2.193 30 10 JEEE Cn1nc(C(=O)NCc2csc(CNC(=O)OC(C)(C)C)n2)cc1B1OC(C)(C)C(C)(C)O1 2286751124 NNGOUBXHHPPKBG-UHFFFAOYSA-N 477.396 2.131 30 10 JEEE CC(C)(C)OC(=O)N(CC(=O)N=c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)[nH]1)[C@H]1CCOC1 2288187082 RGOAYRBFJQKADJ-AWEZNQCLSA-N 481.786 2.421 30 10 JEEE COc1ccc(F)cc1C(O)=C1C(=O)C(=O)N(CCCN2CCOCC2)[C@H]1c1ccncc1 2296612507 WJRYOABEYJFJJB-NRFANRHFSA-N 455.486 2.373 30 10 JEEE O=C(O)c1ccccc1C=Nn1c(SCCO)nnc1[C@H]1CC(=O)N(Cc2ccccc2)C1 2325924948 IPVGABDZFBFTGZ-SFHVURJKSA-N 465.535 2.459 30 10 JEEE CN(C)[S@@](=O)(=NC(=O)[C@@H]1C[C@H]1B1OC(C)(C)C(C)(C)O1)N1CCN(C(=O)OC(C)(C)C)CC1 2359265975 WKYRPXOPDWKRIO-CLHSSPKMSA-N 486.444 2.408 30 10 JEEE COc1nc(N2CCO[C@@H](CN(C)C(=O)OC(C)(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2365343767 FCZODBFYNXWPEQ-INIZCTEOSA-N 463.384 2.462 30 10 JEEE CC1(C)OB(c2cc(C(=O)N[C@H](CCO)COCc3ccccc3)c(O)cc2O)OC1(C)C 2369538792 VFPPGBVPGBMVDZ-QGZVFWFLSA-N 457.332 2.095 30 10 JEEE COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(O)c(OC)c2)cc1C 6320353 WGRYJWRVHJQWBJ-UGUGFTGJSA-N 482.533 2.472 30 10 JEEE COc1cc([C@@H]2c3c(nc(N4CCC[C@H](C)C4)[nH]c3=O)NC(=O)[C@@H]2C#N)cc(OC)c1OC 72444996 QBLNWRKQHMITLI-QEORTHHSSA-N 453.499 2.256 30 10 JEEE NC(=O)c1ccccc1OCC#CCNC(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 90743711 XVWDFTDJODHCOP-OAHLLOKOSA-N 470.323 2.100 30 10 JEEE C#CC[C@]1(C(=O)NCc2cccc(C(=O)NCCN(C)C)c2)CCCN1C(=O)OC(C)(C)C 1125755760 OTIWHXCHLNXMHF-RUZDIDTESA-N 456.587 2.387 30 10 JEEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccc(CN3CCN(C(C)=O)CC3)cc2)c1 1152621112 MTKOIYKPMLLVIG-UHFFFAOYSA-N 453.564 2.400 30 10 JEEE C=CC[C@H]1CCCC[C@H]1NCC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 1171921103 SIORCVAJEOBVQU-FXAWDEMLSA-N 450.561 2.152 30 10 JEEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)Nc1cccc(C(=O)N2CCSCC2)c1 1199266950 CPFQBFCCJRBVEE-MRXNPFEDSA-N 451.556 2.280 30 10 JEEE C#CCCCCn1c(COc2ccc(OC)cc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1286334737 NAARZQDTYKVWSV-UHFFFAOYSA-N 463.542 2.256 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1CC[C@@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1286388339 NPJHDECBGZERLC-IAGOWNOFSA-N 482.965 2.170 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1Cc1nccc(C(F)F)n1)[C@H]1CCS(=O)(=O)C1 1286393988 SMQARUFTBUHBER-HNNXBMFYSA-N 493.565 2.036 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(C3CCCC3)n2C[C@H]2CCCCS2(=O)=O)n1 1286471187 JTZZJVQQHVIWQX-OAQYLSRUSA-N 474.631 2.386 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)s3)n2CC(=O)N(C)CC)CC1 1286475267 VFZNTNXKCBOTCQ-UHFFFAOYSA-N 451.394 2.003 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(O)CCOCC1 1286522327 IWTKUYPZMLPKMD-FDDCHVKYSA-N 475.590 2.120 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(CC(F)(F)F)CC1 1286554308 HAEBLXMWNSQXPR-BQFCYCMXSA-N 456.513 2.285 30 10 JEEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)N(C)C2CCCCC2)CC1 1286701180 WKFPYTANPQIBQU-FQEVSTJZSA-N 492.690 2.060 30 10 JEEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCN1C[C@H](C)O[C@@H](C)C1 1286722567 MLRVBWCZDKSDNQ-ROUUACIJSA-N 451.575 2.314 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)Nc2ccccn2)n1CCn1cncn1 1286741745 CVONVBYRKZBBIY-UHFFFAOYSA-N 454.498 2.281 30 10 JEEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCC(=O)N1CCCCC1 1286768281 XCUKHSUARATARD-UHFFFAOYSA-N 479.585 2.233 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1286783260 IMALLYPVOVNMOA-MOPGFXCFSA-N 482.585 2.291 30 10 JEEE C=CCNC(=O)Cn1c(N2CCO[C@@](C)(c3ccccc3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1286793995 RUWVBBPKAWLYMX-JWQCQUIFSA-N 469.586 2.373 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3ccccc3n2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1286816067 HYRHNOFZFSGMFD-HSZRJFAPSA-N 468.583 2.057 30 10 JEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 1286832295 JJKHOOOOBODEJY-QGZVFWFLSA-N 484.669 2.139 30 10 JEEE C[C@@H]1OCC[C@]1(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1291223462 HLPRHLCHIMNIQC-XFQAVAEZSA-N 464.492 2.429 30 10 JEEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(COCC(F)(F)F)cc1 1300430471 MZVGQLGVULGPJG-AWEZNQCLSA-N 459.494 2.085 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CC1(SC)CCOCC1)[C@H]1CCS(=O)(=O)C1 1300489816 SXIUGBUFJOTFSQ-IBGZPJMESA-N 490.651 2.493 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H](C)c1nc(C)cs1)[C@@H]1CCS(=O)(=O)C1 1300495971 LZDWGBIRHAVURT-CGTJXYLNSA-N 463.629 2.367 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@](C)(O)c1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 1300503244 BWFZYIKGBVHPSM-JQVVWYNYSA-N 479.002 2.317 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCN1CCCC1 1300558788 BVGSEKDIWOWARK-UHFFFAOYSA-N 453.616 2.105 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNc1ncc(Cl)cc1Cl 1300631599 TXUAPEJSQQHILQ-ZDUSSCGKSA-N 457.387 2.454 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1-n1nc(C)cc1C 1300671774 OUYCSKZEPJFWBR-OAQYLSRUSA-N 482.610 2.117 30 10 JEEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1CC1(c2ccc(F)cc2)CCOCC1 1300676031 YNKVMGJAEMPZIC-UHFFFAOYSA-N 469.561 2.374 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H](c2ccccc2)N(C)C)CC1 1300710606 IJJQBESDCLHWNW-VABKMULXSA-N 452.603 2.060 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2Cc2ccc(OC(C)C)nc2)CC1 1300725911 GDODZHHYQQZJQF-UHFFFAOYSA-N 473.581 2.460 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CC=CCO2)CC1 1300730928 HFEUSEGZQJBDRC-JOCHJYFZSA-N 460.538 2.040 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2csc(C)n2)CC1 1300876874 VCENNKLRWMPIGM-UYAOXDASSA-N 473.647 2.485 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1300895327 PRMFEONPRNRCSZ-MJUPKGCFSA-N 470.636 2.241 30 10 JEEE C=CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1301189320 UUKAXVZYWJTUCL-GUDVDZBRSA-N 493.605 2.303 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c(-c2cnccn2)nnc1N1CCO[C@]2(CCOC2)C1)C(C)C 1301368009 WUWHIPISBFPJRL-XUZZJYLKSA-N 453.591 2.429 30 10 JEEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCC[C@H](C(=O)NCCC)C1 1301491612 UNCIMGJFBCOEKV-SFHVURJKSA-N 463.586 2.482 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 1301499978 IBSHMKXKYTZUSQ-LJQANCHMSA-N 454.579 2.062 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1301514191 GJNMMQBMKVTDCC-IBGZPJMESA-N 481.601 2.013 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@@H](CC(N)=O)C1 1301588394 YQEXFVNNKXLEEZ-KRWDZBQOSA-N 466.007 2.215 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](Oc2ncccc2F)C1 1301588797 JMNPFRVFANUDAF-ZWKOTPCHSA-N 479.578 2.355 30 10 JEEE CC(C)(C)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCN2S(C)(=O)=O)CCO1 1302119707 DZXRTPHALQRUAH-WOJBJXKFSA-N 472.615 2.492 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1c(CC)nn(C)c1OC 1358895635 NNRYOSHTZIIMTF-OAQYLSRUSA-N 490.656 2.454 30 10 JEEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@H](C(=O)OC)C1 1358906396 HAHXKXPIFNYXQE-LJQANCHMSA-N 473.599 2.388 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cc(F)c(F)c(F)c1 1358930600 YOLILVUBBQAYDI-KRWDZBQOSA-N 471.505 2.078 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1ccc(N(CC)CC)nc1)[C@H]1CCS(=O)(=O)C1 1358964617 CHHMQQKCQWCZSJ-QFIPXVFZSA-N 493.637 2.180 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)nc2)n1CC(=O)N1CCN(c2ccccc2)CC1 1358973473 SUUAIJPKANAYCT-UHFFFAOYSA-N 473.968 2.415 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2Cc2cnn(CCOC)c2)CC1 1359029725 GGYPVRONWFHDSG-IBGZPJMESA-N 467.549 2.204 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCN(c2cccnn2)CC1 1359090710 FNHQUFXAIWPGPP-SBHAEUEKSA-N 457.579 2.100 30 10 JEEE C=C(C)COCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN2CCOC[C@H]2C1 1359127913 DPQZOSIFHTWFFY-LJQANCHMSA-N 473.574 2.084 30 10 JEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](c2ccc(F)cc2)N(C)C)CC1 1359159526 YCNXEJHBQMTBNJ-LPHOPBHVSA-N 450.584 2.487 30 10 JEEE C=C1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1359161117 QCVWJDJESKPWGD-QGZVFWFLSA-N 491.614 2.409 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cccc(C(F)(F)F)n2)CC1 1359164958 DGTLEKRAQJCRDN-MRXNPFEDSA-N 486.520 2.230 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CC[C@H](S(C)(=O)=O)C1 1359303909 FJKXEOCVHWXMMD-SFHVURJKSA-N 475.615 2.214 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C1CCC1 1359333075 NOMPCXXRWPWQJP-KRWDZBQOSA-N 469.608 2.176 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCO[C@H](c2ccccc2)C1 1359333914 NWDZCARAPJKZMQ-NRFANRHFSA-N 453.568 2.443 30 10 JEEE CC(C)C[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1)N(C)C 1359771834 FDHYBTJXVQPZRK-NHCUHLMSSA-N 480.617 2.261 30 10 JEEE C#CCn1ccc(CN(CCOC)C(=O)c2nnn(-c3cccc(Br)c3)c2C)n1 1436119684 HXBRNZWDLUEERQ-UHFFFAOYSA-N 457.332 2.457 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@@H]3Oc4c(F)ccc(F)c4O[C@@H]3C2)s1 1451871247 JPQWMQRJYFPDGV-GASCZTMLSA-N 456.492 2.084 30 10 JEEE C=CCC1(O)CCN(C(=O)c2cccc(NS(=O)(=O)c3ccc4nnn(O)c4c3)c2)CC1 1458028604 QNLOECOPZMEMBL-UHFFFAOYSA-N 457.512 2.013 30 10 JEEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Br)ccc1OCCC 1462874260 NKHASDJCEYZVAG-CQSZACIVSA-N 450.376 2.049 30 10 JEEE C#CCOc1ccccc1CNC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C 1465188413 CFNOEWORALDHBY-UHFFFAOYSA-N 454.552 2.085 30 10 JEEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@@H]1CCCN1C(=O)/C=C/c1ccc(C(N)=O)cc1 1467932477 MRTLWGWJSFIENB-CGIBVWHJSA-N 451.523 2.480 30 10 JEEE C=CC[S@@](=O)(=NC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1)c1ccccc1 1472275099 GZVRFMOFPFMJSL-SKBDVJSQSA-N 452.529 2.189 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(N2CCSCC2)CCCCC1 1507516646 LUQGHMVUFGPMGW-ROUUACIJSA-N 468.693 2.098 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](c2nc(C)cs2)C1 1507588201 HIVFHFUOHQLVGT-QZTJIDSGSA-N 478.644 2.173 30 10 JEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCc1c(C)cccc1C)[C@@H]1CCS(=O)(=O)C1 1507622557 IWVOUXNOHJSHTD-HXUWFJFHSA-N 469.611 2.000 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccc(Cl)cc1F)[C@H]1CCS(=O)(=O)C1 1507632228 JYQRXXLPQBIUJB-WBVHZDCISA-N 452.939 2.250 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(=O)N(C)C1CCCCC1 1507644985 QVXKHKPQTPFVJN-UHFFFAOYSA-N 467.595 2.213 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1C[C@@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1507658504 CHCVYTORPXBKPZ-WIYBCGNWSA-N 499.612 2.099 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)[C@@H](C)[C@@H](C)O2 1507710526 HPTZWPAEUUMQJU-YQVWRLOYSA-N 458.584 2.199 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(CCC)CCC2)CC1 1507737639 BAUWNLIFWIEOIE-IBGZPJMESA-N 461.632 2.116 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1507824543 CGPFBZZWGGZHTF-GOSISDBHSA-N 452.602 2.328 30 10 JEEE C=CCN(CC=C)c1nnc(C(=O)Nc2ccccn2)n1C[C@]1(N2CCOCC2)CCSC1 1508014779 WZYDCMNLSNSPQX-HSZRJFAPSA-N 469.615 2.312 30 10 JEEE C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1508049840 JCIWSTIDTYBVQC-GOSISDBHSA-N 478.439 2.453 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1508074655 NKFOQLNBUFQPNW-SFHVURJKSA-N 493.543 2.217 30 10 JEEE C=CCOc1ccccc1Cn1c(CC)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1508106172 WQONKTQMMVALHO-FQEVSTJZSA-N 475.615 2.084 30 10 JEEE C[C@](O)(Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](C#N)C1)c1cccs1 1510231237 AWNYEQNNWURTIQ-KKSFZXQISA-N 473.580 2.047 30 10 JEEE COc1ccccc1OCc1nnc(N2CC[C@](F)(C#N)C2)n1CC1CCS(=O)(=O)CC1 1518514250 DRKDQWRDVYKVAP-NRFANRHFSA-N 463.535 2.132 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1539212231 NWJCFDIHUJGFHR-KKSFZXQISA-N 466.991 2.395 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCc1ccc(NC(C)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1539220038 HDEQMQYOPMHENU-YADHBBJMSA-N 485.610 2.348 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)(C)C)n2C[C@@H]2CCCN(C(C)=O)C2)n1 1539424170 MYHVRTBLDZYDLN-HXUWFJFHSA-N 455.607 2.317 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC)n2C[C@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)CC1 1539483523 ZTZKMLTXNRYSPH-MJGOQNOKSA-N 458.607 2.452 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccccc1[N+](=O)[O-] 1539614887 DTPKUEKGXCMZCV-IEZWGBDMSA-N 478.575 2.414 30 10 JEEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN2CCOC[C@H]2C1 1539730252 WQYJFUVYZMZXAS-MRXNPFEDSA-N 451.369 2.149 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1COCCO1 1540121330 KEKJBUUYAQJITO-QPPBQGQZSA-N 453.543 2.410 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCCS1(=O)=O 1540126170 BKRZFVJJYXIWBH-HKUYNNGSSA-N 481.644 2.048 30 10 JEEE C=CCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 1540857909 VVNYXUWWIWOLFV-KRWDZBQOSA-N 482.614 2.483 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc3ccccc3o2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1540865663 OKABKPMKXHBRSU-UHFFFAOYSA-N 493.612 2.374 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@]2(CCSC2)C1 1540871653 QFAPIVUSPDOFHE-UZUQRXQVSA-N 492.646 2.222 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CC(C)(C)C(=O)NC)C1 1540883925 HATOSWIKOWCDJY-QGZVFWFLSA-N 489.646 2.100 30 10 JEEE COCCN(CCC#N)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@]1(O)CCC[C@H]1C 1555557971 IFPHXFLFMPEOTM-NTKDMRAZSA-N 468.606 2.370 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCN1CCOCC1(C)C 1587620187 BBAGPJZXWYRVTG-SFHVURJKSA-N 463.586 2.244 30 10 JEEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1587702579 ZMLXFJCRSPGHFL-GOSISDBHSA-N 475.557 2.127 30 10 JEEE C#CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](Cn2cccn2)C1 1587769437 HGFGWCTWWYLEEW-NHCUHLMSSA-N 499.616 2.492 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1Cc1ccn(C)n1)[C@@H]1CCS(=O)(=O)C1 1588030300 SFIWLMVWNTVXFL-UYAOXDASSA-N 498.609 2.225 30 10 JEEE C#CCN(c1nnc(C(C)C)n1C[C@@H](C)N1CCc2ccccc2C1)[C@H]1CCS(=O)(=O)C1 1588030350 SWQILVXDRUPYBJ-KNQAVFIVSA-N 455.628 2.475 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2ccccc2F)n1Cc1nnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1588034534 IGIMPLZEIFJEGG-GDBMZVCRSA-N 490.586 2.392 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@H](C1CCCCC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1588045994 VJWWZDLUNDBFCO-IFMALSPDSA-N 472.659 2.421 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H](OC)c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1588065456 YWBBCSRNEREYGP-FGZHOGPDSA-N 483.569 2.417 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(Br)s2)n1C[C@H]1CC(=O)N(CCOC)C1 1588105209 PMVQDSPZTJZGGQ-HNNXBMFYSA-N 476.400 2.337 30 10 JEEE C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](CC(C)C)C1 1589404067 GRPKFOFUKMENCA-HOTGVXAUSA-N 476.441 2.392 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(O)(C(F)(F)F)CC1 1589546407 QBPJPJWPZUAIAD-OAGGEKHMSA-N 478.537 2.055 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)C[C@@H]1CC 1589547574 VBGGYJZSPJWHPD-WPVAHCMFSA-N 467.636 2.217 30 10 JEEE C=C(C)COCCn1c(-c2ccccc2Br)nnc1N1CCO[C@H](C(=O)NC)C1 1593722606 UGWFQUWSTDOMKP-KRWDZBQOSA-N 464.364 2.252 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@H]2COCCO2)CC1 1594241615 WEOLEHXFAOQXLY-MOPGFXCFSA-N 463.579 2.404 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N(C)Cc1ncc(Cl)n1C 1595506842 NWNOYZIUXSCOEO-UHFFFAOYSA-N 459.938 2.288 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1595562246 RFZQCIUILZRZIJ-UHFFFAOYSA-N 476.972 2.418 30 10 JEEE C=CCOc1ccccc1Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1595664848 LHJMCRVZHAJBTK-SFHVURJKSA-N 468.558 2.291 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1595785351 XQBOVJNYSUVZTP-GOSISDBHSA-N 476.599 2.329 30 10 JEEE C=CCn1c(S)nc2cc(C(=O)NCC(=O)Nc3cc(OC)cc(OC)c3)ccc2c1=O 1610986525 IPPZSFQXNBZQSL-UHFFFAOYSA-N 454.508 2.257 30 10 JEEE CCC(O)(CC)Cn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1613662487 GJPAGBQGFIOBSB-UHFFFAOYSA-N 453.591 2.161 30 10 JEEE CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1618794236 CHCLMGMMTWHCLN-KDURUIRLSA-N 465.558 2.256 30 10 JEEE CSC1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@H](CNC(C)=O)C2)CCOCC1 1620220090 GHEICGYYCNIRIF-HXUWFJFHSA-N 470.599 2.070 30 10 JEEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](COC)C(N)=O 1632001145 SHDNOYDXLWXPFM-YADHBBJMSA-N 451.523 2.476 30 10 JEEE Cc1nn(C)c2sc(C(=O)N[C@@H](C)C(=O)NC3CCN(c4ccc(C#N)cn4)CC3)cc12 1632292299 HHUXRBNZKRZXOQ-AWEZNQCLSA-N 451.556 2.113 30 10 JEEE COC(=O)[C@@H]1CN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C[C@H]1c1ccccc1 1654056247 DBOOITUKQRFPST-HBMCJLEFSA-N 452.580 2.346 30 10 JEEE CC(=O)N1CCc2ccc(S(=O)(=O)N3CCN(c4ccc(C#N)cc4F)CC3)cc2CC1 1659940378 IBAWWYAVEOSXBV-UHFFFAOYSA-N 456.543 2.155 30 10 JEEE N#Cc1ccc(N2CCC[C@@H](NC(=O)N3CCC(CNC(=O)C(F)(F)F)CC3)C2=O)cc1 1671576045 BNLADMAYFXIKHG-QGZVFWFLSA-N 451.449 2.154 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H](c1ccc(F)cc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1689994277 VKZUXUXCGGKQRG-PKTZIBPZSA-N 496.612 2.333 30 10 JEEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCCCCC2)nc1 1690059823 YPFRFFSUVQERDK-SFHVURJKSA-N 459.620 2.172 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2Cc2cccnc2OCCOC)CC1 1690125075 APUFHZZHQBTIQW-UHFFFAOYSA-N 460.582 2.401 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCC[C@@H](O)C2)CC1 1690152792 XUAMYZOMVWWXDG-IFMALSPDSA-N 476.581 2.246 30 10 JEEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1690163687 NQNAIIICLAXOPH-XLIONFOSSA-N 488.061 2.349 30 10 JEEE C=C(C)Cn1c(N2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)nnc1[C@]1(OCC)CCOC1 1690297690 CGRFRPUNASBJGG-KNQAVFIVSA-N 467.636 2.337 30 10 JEEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(NC(C)=O)CC1 1690302344 BMSLBWXELFNUMV-UHFFFAOYSA-N 461.588 2.046 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC(O)(c3ccccc3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1690677275 SYSQVJVDLHTZGY-RUZDIDTESA-N 469.586 2.109 30 10 JEEE C=CCOc1ccc(Cn2c(CNC(=O)c3cccs3)nnc2N2CC[C@@H](C(N)=O)C2)cc1 1690681322 NAUPCFNWMUGPGQ-QGZVFWFLSA-N 466.567 2.194 30 10 JEEE C=CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCS(=O)CC1 1690733981 SDDOBZAOXJTSKD-UHFFFAOYSA-N 454.021 2.349 30 10 JEEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCNS(C)(=O)=O)C[C@H](c2ccsc2)O1 1693782190 CJQLVXKMBRNDMY-HNAYVOBHSA-N 472.596 2.394 30 10 JEEE CN(CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](Cn2cccn2)C1)CC(F)(F)F 1696811119 CRYFWCZNAIWDJH-IBGZPJMESA-N 474.491 2.413 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)c1nc(-c2ccccc2)no1 1705477214 KRTYCXYBZZSZHS-JYJNAYRXSA-N 457.560 2.200 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCN1C[C@H](C)O[C@H](C)C1 1705490107 CFSQKSWGWJILAU-GBESFXJTSA-N 463.586 2.149 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2CC2(S(C)(=O)=O)CCC2)c1 1705504584 BCPJZAIZERCBOH-UHFFFAOYSA-N 466.567 2.297 30 10 JEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2c(F)cccc2Cl)CC1 1705533245 WILFLABZSCITSJ-MRXNPFEDSA-N 493.992 2.349 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCc1csc(CC)n1)[C@@H]1CCS(=O)(=O)C1 1705567040 SQWMVFUNJAANCS-QZTJIDSGSA-N 463.629 2.408 30 10 JEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(=O)N(C)C1CCCCC1 1705581915 OKAQTMQNNQZZJP-UHFFFAOYSA-N 474.613 2.316 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2CC[C@@H](C(F)F)N2CCOCC2)CC1 1705640848 IEIIFVYBTKYAER-QFIPXVFZSA-N 472.584 2.289 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2cn3ccccc3n2)nnc1N(C)CCCS(C)(=O)=O 1705706390 TVAMIESMZAOIQP-PGRDOPGGSA-N 472.615 2.369 30 10 JEEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 1705737002 HWNHSVZYLBGSTG-FQEVSTJZSA-N 454.575 2.135 30 10 JEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](c2nc(CC)cs2)C1 1705890887 OIGMKZLPXHMNSA-NVXWUHKLSA-N 466.633 2.200 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC[C@H](n3nc(C)cc3C)C2)nnc1[C@]1(OC(C)C)CCOC1 1705909126 NXYLLWGMWDOCMK-RDPSFJRHSA-N 471.606 2.276 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCN(C(C)=O)CC1 1705938054 LQIHEOJGSKWTQA-UHFFFAOYSA-N 489.642 2.424 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2CCCO[C@H]2CCOC2)c1 1722309203 KWWWKLGKHRLPMA-IRLDBZIGSA-N 467.570 2.424 30 10 JEEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H](C(CC)CC)N1CCOCC1 1722347650 LKJIMQKVPYMOCF-QFIPXVFZSA-N 463.590 2.127 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCC[C@H]1OC)[C@H]1CCS(=O)(=O)C1 1722362802 BYFKFDVQYZLECX-QILLFSRXSA-N 496.431 2.478 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)nc2)n1CC1(NC(=O)OC(C)(C)C)COC1 1722375519 NHGIXQZRRMPLLQ-UHFFFAOYSA-N 456.934 2.360 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1Cc1cccc(N2CCOCC2)n1 1722423820 QEYQPIXOIBAIQC-UHFFFAOYSA-N 467.961 2.359 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2CCCN2CCCCCC2=O)CC1 1722442092 SMZUKOQXDMUZDE-UHFFFAOYSA-N 480.613 2.414 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2C[C@H](C)O[C@H](C)C2)CC1 1722452757 KOJTZXZQDRDFNZ-AINOVGTFSA-N 473.618 2.172 30 10 JEEE C#CCSCCn1c(N2CCN(C(=O)c3ccsc3)CC2)nnc1[C@]1(OCC)CCOC1 1722464262 ZPGZHWWUHNFGDQ-QFIPXVFZSA-N 475.640 2.321 30 10 JEEE C=C(Cl)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1722551786 GPSMKMLUUMCNHV-LJQANCHMSA-N 460.966 2.190 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3OCC[C@H]3COC)n2Cc2cnn(CC)c2)c1 1740565621 YSQGFQDPVQFBGF-REWPJTCUSA-N 477.569 2.323 30 10 JEEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1CCCN1c1cnn(C)c1 1740598911 JFWYZBYPWRBGCV-LJQANCHMSA-N 466.977 2.333 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1Cc1cccnc1-n1cccn1)[C@H]1CCS(=O)(=O)C1 1740617726 WKHQKBLSQGJZIV-MJGOQNOKSA-N 453.572 2.047 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CC1(COC)CCOCC1)[C@H]1CCS(=O)(=O)C1 1740618665 AJEJVWUHOVLCPF-FQEVSTJZSA-N 488.610 2.024 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CC(O)(CC)CC)[C@H]1CCS(=O)(=O)C1 1740624637 JDZNPSSSDOWBGC-INIZCTEOSA-N 466.554 2.325 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccc(CSC)cc1)[C@H]1CCS(=O)(=O)C1 1740626577 LXDCEAAMXOFAPI-UXHICEINSA-N 460.625 2.320 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCN1CCOCC1(C)C 1740630122 FQZQQQOGZFMXDO-UHFFFAOYSA-N 467.570 2.155 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCn1cc(Br)cn1 1740634035 CIBFVWSMGUVWNS-UHFFFAOYSA-N 467.327 2.448 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1nc2c(s1)CCCC2 1740657726 WVEACJQERCBRPD-QGZVFWFLSA-N 457.625 2.221 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H]2N(C)CCCC2(C)C)CC1 1740693429 YAFOUPSTOATYPU-PXDATVDWSA-N 458.651 2.194 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2CC2CCN(C(=O)OC)CC2)CC1 1740696997 NVBWQTJYICHHNV-UHFFFAOYSA-N 466.586 2.111 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CC2(c3ccc(F)cc3F)CC2)CC1 1740700967 PFGVEHRLPTXCGO-UHFFFAOYSA-N 484.551 2.392 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Br)cc3)n2Cc2ccn(C)n2)CC1 1740701493 JKYPQGPAXWNZLB-UHFFFAOYSA-N 482.386 2.455 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(OC)c(OC)c1 1740717679 YMSNJTULYYEBDI-KRWDZBQOSA-N 464.613 2.200 30 10 JEEE C=C(Br)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1740735992 DIAIZGPAUUGFPT-NVXWUHKLSA-N 492.374 2.416 30 10 JEEE C=C(Br)Cn1c(Nc2cnn([C@H]3CC3(F)F)c2)nnc1[C@@H](C)NS(C)(=O)=O 1740750366 PKRKQXAIMSROMO-KOLCDFICSA-N 466.312 2.317 30 10 JEEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1740788326 RPEZDZGIURHDQZ-UHFFFAOYSA-N 492.378 2.149 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1740830100 VKRWVOFPTFSQBC-IRXDYDNUSA-N 473.578 2.495 30 10 JEEE C=CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN/C(O)=C1/N=CC=CC1=O)C1CC1 1740908488 ZMBSPGMWMSDHJH-XDOYNYLZSA-N 482.566 2.030 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1740953592 LJIIRRPDXBAILA-OAHLLOKOSA-N 492.422 2.027 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@@H](c2nccs2)C1 1740955434 UOWXZRWIVILEFK-GOSISDBHSA-N 470.555 2.299 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@](C)(O)C2CCCCC2)C1 1740972943 PDHYGAFKCBZIGL-BLIXFSHQSA-N 455.625 2.001 30 10 JEEE CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C 1741657629 AFIRROLWCDRTGM-QVKFZJNVSA-N 451.547 2.408 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CC[C@@H]1CCCCO1 1741942433 BQOMNQJHRMEBQJ-YYWHXJBOSA-N 488.614 2.297 30 10 JEEE CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN([C@H](C)c2nccs2)CC1 1748278211 HADHPORRZIFWGG-QGZVFWFLSA-N 480.598 2.205 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1N1CCCCC1 1748672298 RQIDVURVCDHUQR-KNQAVFIVSA-N 486.642 2.108 30 10 JEEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1748738625 KEZJQCQYOXCSHV-UHFFFAOYSA-N 463.546 2.249 30 10 JEEE C#CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1748739674 GBVIEQSUVMDRSC-FQEVSTJZSA-N 466.542 2.142 30 10 JEEE C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@@H]1CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1748804175 DZRZDRHSRCMGID-GBESFXJTSA-N 452.621 2.455 30 10 JEEE C#CCN(c1nnc([C@@H](C)OCCOC)n1Cc1ccc(Cl)s1)[C@@H]1CCS(=O)(=O)C1 1748805511 SZBLGXPGSCOOKC-HUUCEWRRSA-N 473.020 2.392 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H]1N(C)CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1748811860 MQKRABKKKRERFP-QUCCMNQESA-N 456.616 2.087 30 10 JEEE C#CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCC)[C@H]1CCS(=O)(=O)C1 1748824358 ONZOXMIEZOPORS-KSZLIROESA-N 465.620 2.476 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(F)(F)C1(OC)CCOCC1 1748831345 LNZJSAVFFLGTIB-UHFFFAOYSA-N 492.548 2.252 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)N(C)C1CC1 1748945741 YUQQNPQVMMSJAJ-HKUYNNGSSA-N 459.591 2.442 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1COc2ccccc21 1749159845 ZZERCPGGEIKJJD-FXAWDEMLSA-N 461.588 2.190 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCC[C@H](c2ccnn2C)C1 1749680330 JFXAXICKKGAKAC-SFHVURJKSA-N 465.558 2.285 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1cnn(C)c1 1749724210 HUQNOILEJCDPDK-UHFFFAOYSA-N 468.381 2.006 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@](C)(CC)C1 1749725419 UCRXVWAWITXUFO-QFIPXVFZSA-N 495.671 2.423 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@@H](C(N)=O)C1 1749727240 QRYLETZQMWWPRC-GFCCVEGCSA-N 458.371 2.164 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1coc(-c2ccccc2)n1 1751095761 GPQDAKFFYHQBGJ-QFBILLFUSA-N 485.570 2.053 30 10 JEEE C[C@@H]1CCCN(CCn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@](C)(C(N)=O)C2)C1 1752182212 CFAHBOYHIXNHLR-HOYKHHGWSA-N 451.575 2.162 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCN1CCCO[C@H](C)C1 1760112019 ZAZCPIDEOUHWOS-RBUKOAKNSA-N 463.586 2.151 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCS(=O)(=O)CC=C 1760113959 ZSXZHPRSLDWFBC-MSOLQXFVSA-N 465.620 2.451 30 10 JEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](c2ccc(OC)cc2)C1 1760136957 DGYOCHXYOGFTGY-IRLDBZIGSA-N 487.626 2.417 30 10 JEEE C#CCCCn1c(CSc2ccccc2OC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1760159512 IXMWPIYDTDWDHD-QGZVFWFLSA-N 468.583 2.465 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1CC[C@@H](N1CCOCC1)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1760181824 BZHCOQFYXCRAQQ-KZNAEPCWSA-N 491.580 2.072 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1Cc1cccc(C(=O)N[C@H](C)CC)c1)[C@@H]1CCS(=O)(=O)C1 1760189280 HAVDTIBWPSSLJF-XMSQKQJNSA-N 483.638 2.434 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccnc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1760241186 RMXNQPSCPSRCCE-LJQANCHMSA-N 468.558 2.401 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2ccc3c(c2)CCCN3C)CC1 1760257448 WXNVVZFALSPMSX-HXUWFJFHSA-N 452.603 2.188 30 10 JEEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2C[C@]2(O)CCN(C)C2)CC1 1760260913 HMNIVPXGSFWBRQ-SANMLTNESA-N 466.630 2.111 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCO[C@H]2C(C)C)CC1 1760261007 IULJZZZHWGQWEM-NQIIRXRSSA-N 456.616 2.086 30 10 JEEE C=C(C)COCCn1c(-c2cccc(C)n2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1760355510 MVWRRNVFKMOQPC-CVDCTZTESA-N 467.618 2.230 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ccc(Cl)cc1)C1CC1 1760477110 PMMKUDZKJSMXEI-IBGZPJMESA-N 482.006 2.498 30 10 JEEE C=CCOc1ccc(Cn2c(COCC)nnc2N2CCN(C(=O)[C@@H]3CCCN3C)CC2)cc1 1760531316 KUIMQFVGBPCCOT-QFIPXVFZSA-N 468.602 2.171 30 10 JEEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccncc2Cl)CC1 1760618609 LYIRSTKMWYPCCK-UHFFFAOYSA-N 451.918 2.494 30 10 JEEE Cc1csc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](c3cccc(C#N)c3)C2)n1 1762232933 CKPKJXNRAJHMSE-YJBOKZPZSA-N 487.611 2.151 30 10 JEEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCO[C@H]2C(C)C)CCO1 1769239785 BRLARFCNYGPFRX-HKBOAZHASA-N 452.559 2.219 30 10 JEEE COCC[C@](C)(O)Cn1c(CC(C)(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1770983915 CXXLZIMQNMDSNK-SBUREZEXSA-N 456.595 2.031 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1F 1862641923 DSGRRDQCNGVYQG-LJQANCHMSA-N 457.414 2.457 30 10 JEEE O=C(C1=C(O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccc(O)cc1)c1ccc([N+](=O)[O-])cc1 1862746555 GUCAFCQXAPDAHY-HXUWFJFHSA-N 453.451 2.211 30 10 JEEE CCOc1ccc(S(=O)(=O)Nc2c(C#N)nnn2-c2ccc(N3CCN(C)CC3)cc2)cc1 1870098592 MJGQVSGSLHWWKR-UHFFFAOYSA-N 467.555 2.090 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)COc2nonc2C(=O)NCc2ccccc2F)nc1C 1872706643 IGEBSLBUMJTVOJ-UHFFFAOYSA-N 475.458 2.264 30 10 JEEE N#Cc1nccnc1OCC1CCN(C(=O)[C@H]2SCC(=O)N(C3CC3)[C@H]2c2cccnc2)CC1 1891455337 PLTZHYGKGOADBD-VXKWHMMOSA-N 478.578 2.208 30 10 JEEE N#Cc1nc(-c2cccs2)oc1N1CCC(C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 1892319492 HYBMXOWECKLADM-GOSISDBHSA-N 469.567 2.341 30 10 JEEE CC[C@@](COC)(NC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2124523285 DLLTWLOVZQOOSJ-NRFANRHFSA-N 450.345 2.034 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@](O)(C(=O)NCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2185161016 GTLYARGWCNKXMW-XMMPIXPASA-N 460.380 2.364 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H]1NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2247901171 GIDRLESFKQQEOK-KBPBESRZSA-N 458.411 2.381 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H]1NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2247962244 MAYVZMIOWVXJDY-OCCSQVGLSA-N 458.411 2.239 30 10 JEEE CC(C)(C)OC(=O)N1CC(O)(CNC(=O)c2scc(B3OC(C)(C)C(C)(C)O3)c2Cl)C1 2255597891 MAVAUGZPDRFPAT-UHFFFAOYSA-N 472.800 2.412 30 10 JEEE CC1(C)OB(c2cncc(S(=O)(=O)N[C@@H]3CC[C@H]3NC(=O)OCc3ccccc3)c2)OC1(C)C 2255753816 WFZMHOPKWWFPKQ-WOJBJXKFSA-N 487.387 2.117 30 10 JEEE C=C(CS(=O)(=O)N[C@@H]1CCO[C@@H](CNC(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2255801384 LWIYLSRGIGYNGH-HZPDHXFCSA-N 460.402 2.166 30 10 JEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H](O)C1 2267134097 KVUMXDVJOJYIMN-OAHLLOKOSA-N 466.409 2.410 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2[C@H](NC(=O)c3ccsc3B3OC(C)(C)C(C)(C)O3)CO[C@H]2C1 2267243847 BIUDYWXRTBACML-XHSDSOJGSA-N 464.393 2.411 30 10 JEEE COCCCN(Cc1ccccc1)S(=O)(=O)c1nc(C)n(C)c1B1OC(C)(C)C(C)(C)O1 2267466776 HEIQUEKXHBMCFA-UHFFFAOYSA-N 463.409 2.255 30 10 JEEE CC(C)(C)OC(=O)N1CC([S@@](C)(=O)=NC(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)C1 2267476513 YXMRUTNVZMQBTK-JGCGQSQUSA-N 465.381 2.238 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2csc(B3OC(C)(C)C(C)(C)O3)c2)[C@H]2COC[C@@H]12 2267561121 LRFITZUQVYRCNH-XHSDSOJGSA-N 464.393 2.411 30 10 JEEE CC1(C)OB(c2csc(S(=O)(=O)NC[C@H]3COCCN3Cc3ccccc3)c2)OC1(C)C 2267715933 FRCWTIRTYCVBNE-IBGZPJMESA-N 478.445 2.227 30 10 JEEE COC(C)(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2268648549 AJFWISUTYACUMJ-HNNXBMFYSA-N 469.413 2.377 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@@](O)(C(=O)NCc2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2268712279 RWADUKLUFOFZNT-QFIPXVFZSA-N 466.409 2.426 30 10 JEEE C[C@@H](c1nscc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)[C@H](CCO)NC(=O)OC(C)(C)C 2268717934 NHUPZKJLGKPMRV-ZFWWWQNUSA-N 469.413 2.237 30 10 JEEE Cc1cc(S(=O)(=O)N[C@@H](COCc2ccccc2)C(=O)O)sc1B1OC(C)(C)C(C)(C)O1 2269032146 ORBVJWBDMZTLAJ-INIZCTEOSA-N 481.401 2.304 30 10 JEEE C[C@@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2CN1C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2282030162 BFNYLUKNCMQBRQ-INMHGKMJSA-N 458.368 2.103 30 10 JEEE CCn1cc(C(=O)N2C[C@@H]3CC[C@]3(NC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2282039079 QERWLSCFSWCVKO-WNSKOXEYSA-N 460.384 2.332 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1COCCN1C(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1F 2282146928 GQVMWYYUSSMZBK-HNNXBMFYSA-N 464.343 2.491 30 10 JEEE C[C@H]1C[C@H](N(C)S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CN1Cc1ccccc1 2282350638 PUNJKUUPDDHFRC-HKUYNNGSSA-N 474.436 2.003 30 10 JEEE CO[C@H]1CN(C(=O)c2c(F)cccc2B2OC(C)(C)C(C)(C)O2)C[C@H]1NC(=O)OC(C)(C)C 2282466194 ZBFCJLNRVUPVRD-SJORKVTESA-N 464.343 2.489 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C2CC2)n1 2282532991 FYNCZJWUSJTYER-SJLPKXTDSA-N 460.384 2.237 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@@](F)(CNC(=O)c2occc2B2OC(C)(C)C(C)(C)O2)C1 2282533410 KYZRHFKWPAIREQ-JOCHJYFZSA-N 468.331 2.284 30 10 JEEE CCc1nn(C)c(C(=O)N2C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2282561729 UJKFBYKJWBPSSF-GOEBONIOSA-N 462.400 2.267 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CSCCN(C(=O)OC(C)(C)C)C2)n1 2282589801 SGWHZHQFMYKCKB-HNNXBMFYSA-N 480.440 2.285 30 10 JEEE CC(C)(C)OC(=O)N1CC(C)(C)OC[C@H]1C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2283947175 XCDFASZVSMXKAL-AWEZNQCLSA-N 481.424 2.473 30 10 JEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C(=O)N2CCC(=CB3OC(C)(C)C(C)(C)O3)C2)[C@H]1OC 2284039969 LXYDZVHUJUUMBD-KURKYZTESA-N 466.384 2.426 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N[C@@H]1COCC[C@@H]1NC(=O)OC(C)(C)C 2285206135 UTHPFZARONAVMP-DLBZAZTESA-N 461.368 2.101 30 10 JEEE COCC[C@@H](CNC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2315642317 VGZZYZTYSFYWGI-ZDUSSCGKSA-N 455.386 2.102 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](C1)[C@@H](NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C2 2359265827 OKKBCXVIBXMDOR-INMHGKMJSA-N 460.384 2.474 30 10 JEEE NS(=O)(=O)c1ccc(NC(=O)CCSc2n[nH]c(N/N=C/c3ccccc3F)n2)cc1 20833340 VDGZXMZJPGJVLZ-SRZZPIQSSA-N 463.520 2.158 30 10 JEEE C/C(=N\Nc1nc(Sc2nc3c(c(=O)n(C)c(=O)n3C)n2C)n[nH]1)c1ccc2ccccc2c1 21082196 SHWQQBYZVBBTCP-BRJLIKDPSA-N 475.538 2.229 30 10 JEEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C#N)cc2)cc1 502439033 HYKICCNUJYSUAA-LJQANCHMSA-N 456.549 2.176 30 10 JEEE COc1cccc(NC(=O)C(C#N)=c2sc(=Cc3ccccc3)c(=O)n2C2CCN(C)CC2)c1 516372420 GISLEWBYCNMDMA-UHFFFAOYSA-N 474.586 2.327 30 10 JEEE Cc1nc(S(=O)(=O)N2CCC(C(=O)N3CCC[C@H]3[C@H](C#N)c3ccccc3)CC2)cn1C 1136915300 BGTNDEZYXNCWKI-RTWAWAEBSA-N 455.584 2.428 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@H](C)N(C)C1CC1)[C@@H]1CCS(=O)(=O)C1 1286388415 OTGUNIFVBJFKSJ-MAUKXSAKSA-N 463.007 2.103 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccccc2F)n1Cc1cccc(N2CCOCC2)n1 1286415757 GGZCCYYLXHGUDQ-UHFFFAOYSA-N 460.513 2.349 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC2(SC)CC2)CC1 1286488869 WPYATFJMOLIYIM-QHCPKHFHSA-N 461.632 2.180 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCNC(=O)c2ccc(C)cc2)CC1 1286490197 NTTUQUNJNPJXHO-UHFFFAOYSA-N 471.565 2.044 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(c2cnn(C)c2)CC1 1286496084 MXYOEISPHLSGCX-UHFFFAOYSA-N 450.572 2.409 30 10 JEEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1286667477 KHLBIUKQMCDVAV-DLBZAZTESA-N 452.625 2.082 30 10 JEEE C=CCC(C)(C)Cn1c(N2CCN(S(C)(=O)=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1286676916 UROXENMVISRSAG-NRFANRHFSA-N 455.625 2.003 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)NC)CC1 1286796341 JPMRMYCYLBDASW-UHFFFAOYSA-N 469.590 2.271 30 10 JEEE C=C(C)Cn1c(SCC(=O)NC[C@H]2CCC[C@H]2NS(C)(=O)=O)nnc1-c1ccco1 1295044624 RNKBSHJMULFNSQ-HUUCEWRRSA-N 453.590 2.040 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(Cl)s1)[C@H]1CCS(=O)(=O)C1 1300482712 GZYXPHMKRGWDEJ-YWZLYKJASA-N 485.031 2.320 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1CCCN1C[C@@H](C)C[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1300487176 HHVOYSAUVJGQDT-RZUBCFFCSA-N 470.643 2.335 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CCCN(C)CC(F)(F)F)CC1 1300725933 GVRTZLJOFONLRB-UHFFFAOYSA-N 477.535 2.114 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2CCO[C@H]2C(=C)C)CC1 1300728706 DNCHNCAFBKRAQT-GMAHTHKFSA-N 465.602 2.087 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccccc2OC)nnc1N1CCN(C(=O)COC)CC1 1300896933 LZMHRXHQSBJXGW-NTKDMRAZSA-N 485.585 2.142 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1N1CCOCC1 1300914586 DYJORRJRKFWJCB-HXUWFJFHSA-N 459.616 2.468 30 10 JEEE C=CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1301196518 CTZIGRMOXBUUFS-IBGZPJMESA-N 460.966 2.169 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@@H]1COCCO1 1301402687 QAWKVFDGZLFGMI-NHCUHLMSSA-N 460.600 2.221 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1301477918 FUUJXGAGRXEWLZ-MSOLQXFVSA-N 472.977 2.027 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1301489959 IHQNCKFKVSOHRE-KRWDZBQOSA-N 455.950 2.086 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@@H]1C 1301569220 TTYRFQAELBCVGM-HNNXBMFYSA-N 466.633 2.136 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CC[C@H](Oc2ccccn2)C1 1301587622 WAEIJMFNHBPJFP-SFHVURJKSA-N 474.612 2.287 30 10 JEEE CS(=O)(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@@H]2CCCCO2)C1 1302448774 FHGJHANZVLKCQI-ICSRJNTNSA-N 459.572 2.311 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1([S@@](C)=O)CCC1 1303627104 DGPCQHMJTKIKNK-AZYRPFHASA-N 478.644 2.235 30 10 JEEE C[C@H](CC#N)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1([S@@](C)=O)CCC1 1303627106 DGPCQHMJTKIKNK-RKXCMPKHSA-N 478.644 2.235 30 10 JEEE Cc1ccc(C)c(OCc2nnc(N3CC[C@](F)(C#N)C3)n2CCC(=O)N2CCOCC2)c1 1304285025 DGAVTFDXQXQBNB-QHCPKHFHSA-N 456.522 2.165 30 10 JEEE CCN(C)C(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1313549894 ASIWQIWSTLGVQT-UHFFFAOYSA-N 490.568 2.034 30 10 JEEE CNC(=O)C(C)(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@](C)(C#N)C1 1314933667 GMCCKIXYDULLRE-QHCPKHFHSA-N 487.630 2.098 30 10 JEEE CNC(=O)[C@@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCCO[C@@H](C)C2)C1 1314960465 COQQLGQPUZDADC-DFBJGRDBSA-N 465.602 2.280 30 10 JEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCN1CCCO[C@H](C)C1 1358949534 FZNUPMHBBHGGRL-UXHICEINSA-N 476.622 2.157 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccnc(OC2CCOCC2)c1)[C@H]1CCS(=O)(=O)C1 1358955561 OHRIFTZKAKDQMD-IBGZPJMESA-N 487.626 2.203 30 10 JEEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(C(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 1358957224 RICHWJOOFPDBDU-AUSIDOKSSA-N 464.632 2.382 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2CCOc2ncccc2F)CC1 1359030724 CWWYIASQERLVIX-UHFFFAOYSA-N 488.365 2.414 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2cccnc2OC)CC1 1359042325 BFXRUKAQNGXZJM-UHFFFAOYSA-N 465.945 2.411 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H](C)NC(=O)OC(C)(C)C)CC1 1359044843 PVCIHLOPSWBXNK-MJGOQNOKSA-N 474.606 2.399 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CCN(C(C)C)C(C)C)CC1 1359046002 ADUQFGVKEBJJFG-UHFFFAOYSA-N 451.619 2.349 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2csc(CC)n2)CC1 1359046897 KBJRPUJLNNVZCU-UHFFFAOYSA-N 466.615 2.173 30 10 JEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCCN(C(=O)c2ccsc2)CC1 1359048501 SPHNSUAZBUBRDR-UHFFFAOYSA-N 472.640 2.295 30 10 JEEE C#CCSCCn1c(-c2ccccc2F)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1359053352 KMWZZRJPBWDWTC-XMSQKQJNSA-N 470.618 2.439 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCOc1ccccc1F 1359057024 QDUTUZVNKLWSMQ-INIZCTEOSA-N 452.577 2.201 30 10 JEEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C[C@@H](c1cccs1)N1CCOCC1 1359117142 HQIKIJMMHHASIA-IRXDYDNUSA-N 468.649 2.036 30 10 JEEE C=CCCCn1c(N2CCC[C@H](n3ccc(C(=O)NC)n3)C2)nnc1[C@]1(OCC)CCOC1 1359220948 NMSNKVGUDCPCOG-MBSDFSHPSA-N 457.579 2.294 30 10 JEEE C=CCN(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@@]1(O)CCS(=O)(=O)C1 1359234010 ZMCXUBLIXYGQCG-KRWDZBQOSA-N 459.341 2.019 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCN(CC(=O)NC(C)C)CC1 1359294148 LSZCNIHAOZPCLV-GOSISDBHSA-N 499.685 2.080 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2CC[C@@H](N2CCOCC2)C(F)(F)F)C1 1359319198 UYLXXWITBUAISH-SJLPKXTDSA-N 467.496 2.170 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCO[C@H](c2ccccc2F)C1 1359333072 NNTCCXBLOMVEHQ-LPHOPBHVSA-N 450.536 2.100 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1C[C@@H](C)N1CCc2ccccc2C1 1360671112 CLYIZPSVFQBLGR-MSOLQXFVSA-N 471.631 2.075 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CC1CCN(c2ccncc2)CC1 1360693368 HOALCOXAZFQHFO-FDDCHVKYSA-N 486.646 2.330 30 10 JEEE N#Cc1ccc(N2C[C@@H](C(=O)N3CCN(C(=O)Cc4ccccc4)CC3)CC2=O)cc1Cl 1459747276 FXEQJHWXRCIABA-IBGZPJMESA-N 450.926 2.478 30 10 JEEE C=CC[S@](=O)(=NC(=O)Cn1cnc2c(c(Br)nn2C)c1=O)c1ccccc1 1463270305 JDRCTDCRLABPNY-HHHXNRCGSA-N 450.318 2.132 30 10 JEEE CCCn1nc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@](C)(O)C(C)C)c2ccccc2c1=O 1501078421 BWSDKYDXXOJLBF-MZNJEOGPSA-N 465.558 2.201 30 10 JEEE C#CCCCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCN(S(C)(=O)=O)CC1 1507561249 SEQGQUBILOYUJX-UHFFFAOYSA-N 454.556 2.485 30 10 JEEE C#CCCCn1c(CCCc2ccccc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1507594541 QIQGAAQGISUKQV-UHFFFAOYSA-N 450.587 2.441 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CCc1ccn(C)n1)[C@@H]1CCS(=O)(=O)C1 1507630079 ZDRCYADJSOSDTC-LJQANCHMSA-N 458.975 2.201 30 10 JEEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCCCC(F)(F)C1)[C@@H]1CCS(=O)(=O)C1 1507631833 GQABJLIPXIRJNU-ZACQAIPSSA-N 469.558 2.072 30 10 JEEE C#CCN(c1nnc(COCC)n1CC1(c2ccccc2OC)CC1)[C@H]1CCS(=O)(=O)C1 1507639041 UUKNKYUMJYWZQA-SFHVURJKSA-N 458.584 2.182 30 10 JEEE C#CCN1CCN(c2nnc(-c3nn(C(C)C)c(=O)c4ccccc34)n2CCSCCCO)CC1 1507723747 STWZXLDVGAMBKP-UHFFFAOYSA-N 495.653 2.107 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H]2CCC[C@H](O)C2)CC1 1507734990 GOBIJWDLQOERCQ-ICSRJNTNSA-N 481.597 2.479 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C/C=C/c1ccccc1 1507773024 OPRCGDINSOZNSV-JAUPHYAYSA-N 455.584 2.317 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ncccc1Cl 1507820620 IOOZOPMMZDBTGZ-QGZVFWFLSA-N 485.010 2.141 30 10 JEEE C=C(Cl)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1507857566 WFZFYKBGBWNRAK-CYBMUJFWSA-N 468.743 2.261 30 10 JEEE C=CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1507939331 MFQFXVFQPUYOPD-MRXNPFEDSA-N 466.633 2.136 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1nc2c(s1)CCCC2 1507983287 PRNWBHUHQVZHHJ-KRWDZBQOSA-N 480.660 2.201 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCC(=O)N2)n1CC(=O)NCC(F)(F)F 1508023695 FLLMKGIIYLDJCQ-MRXNPFEDSA-N 450.465 2.143 30 10 JEEE C=CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1508049805 ZONYTQWRBKMRNL-GOSISDBHSA-N 452.559 2.148 30 10 JEEE C=CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1508065642 QFUXMZDAUPJXPG-UHFFFAOYSA-N 459.510 2.456 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CCN(C(=O)C(C)C)CC1 1508076582 HCCKGTPOVNUWCU-UHFFFAOYSA-N 475.391 2.314 30 10 JEEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N(C)Cc1cc(F)cc(F)c1 1508092396 PMJUOVNBCOYKHC-UHFFFAOYSA-N 460.510 2.486 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@@]2(CCOC2)C1 1508133957 ABOYUQQMDNJRHW-HSZRJFAPSA-N 492.598 2.189 30 10 JEEE C=CCSCCn1c(-c2ccccc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1508159278 SFNYUTMBDMPLDS-UHFFFAOYSA-N 454.600 2.135 30 10 JEEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)N(CC)CC)C1 1516020666 AFYZKWZRXNEIDL-XLIONFOSSA-N 459.620 2.065 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)CC)n2CCN/C(O)=C2/N=CC=CC2=O)c1 1539037087 BMJOSJHINSHTHK-ISWCOFGISA-N 475.553 2.374 30 10 JEEE C#CCCCCn1c(COc2ccccc2F)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1539082218 NNKRBCRWEVELRC-KRWDZBQOSA-N 466.521 2.332 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CC(C)(C)N1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1539225623 PRVXFOBOWGCJTK-RBBKRZOGSA-N 484.670 2.401 30 10 JEEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1C[C@H](F)COC)[C@H]1CCS(=O)(=O)C1 1539230322 LTWJLJLLEVIZRX-OALUTQOASA-N 464.563 2.085 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1sccc1Br 1539297026 XSUQBJQDIYQWPU-CYBMUJFWSA-N 470.418 2.224 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1OCCC1(C)C 1539304637 DGTRPSHXJMMHNA-OAQYLSRUSA-N 469.611 2.473 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1539470370 NCGQNEKQJFBIMC-MWTRTKDXSA-N 457.962 2.104 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@H]2COCCO2)CC1 1539474727 XPRVJHJTFFSVKJ-QGZVFWFLSA-N 461.925 2.119 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1539644462 OVRUHGZWPHYUFD-IRFCIJBXSA-N 457.579 2.398 30 10 JEEE C=C(C)COCCn1c(N2CCN(C(=O)NCC)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1539760152 WFKUJGRUDDPEMN-KDURUIRLSA-N 491.637 2.493 30 10 JEEE C=C(Cl)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(CCOCC)CC1 1539778889 JNLFOYAVMHYNOC-UHFFFAOYSA-N 482.054 2.458 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@@](C)(C(N)=O)C1 1540865308 BECILHOXPIXIKB-HXUWFJFHSA-N 461.364 2.020 30 10 JEEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)c2c(F)cccc2F)CC1 1540871700 RLPLOTKQLIAFSN-UHFFFAOYSA-N 460.529 2.410 30 10 JEEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1ccc(S(=O)(=O)NCC2CC2)cc1 1543447206 AOHYTJGHRJMWMR-UHFFFAOYSA-N 452.540 2.477 30 10 JEEE CCS(=O)(=O)N(C)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCS[C@@H](C)C1 1548329603 BYGWBEIHFIBKLW-KRWDZBQOSA-N 478.644 2.342 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CC[C@@H]1CCO[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1588065319 WUAFAROFCFEONE-SFHLNBCPSA-N 457.600 2.096 30 10 JEEE C#CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CCC[C@@H]1OC 1588581114 HDTSAILMBHSONC-OALUTQOASA-N 474.631 2.448 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccnc1 1595116170 PZZHLWFSJSFFRH-JOCHJYFZSA-N 482.610 2.441 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1595477074 QIXMSNMDQFVXOQ-XKQJLSEDSA-N 461.906 2.488 30 10 JEEE C=CCOc1ccccc1Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1595665051 NOGICTBNNKMHGK-HXUWFJFHSA-N 470.599 2.376 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN(C)Cc2ccc(F)cc2)C1 1595722540 KTGMDCQEEGYVRY-PZJWPPBQSA-N 477.606 2.233 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CCN2CCSCC2)C1 1595743953 HYNJEPIZONRTAY-KRWDZBQOSA-N 462.645 2.100 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1595776693 CXUBZLBZHHEPIS-ZWKOTPCHSA-N 476.599 2.426 30 10 JEEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1Cc1ccc(C[S@@](C)=O)cc1 1614028414 CNEQRCCONSNBNV-UGAOPGRHSA-N 464.599 2.144 30 10 JEEE CCN1CCN([C@@H]2CCN(c3nnc(COc4ccc(C#N)cc4)n3CCN(C)C(C)C)C2)CC1 1615875715 HXKRJCJDADECEW-HSZRJFAPSA-N 480.661 2.285 30 10 JEEE C=CCOC[C@H](NC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)c(C)c1)C(=O)OC 1635159146 UCMFTLMKGBLAMA-IBGZPJMESA-N 450.488 2.409 30 10 JEEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCO[C@H]3CCN(Cc4ccccc4)C[C@H]32)cc1 1640753269 HORFDKSYZOUGSC-PKTZIBPZSA-N 455.580 2.266 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)N3C[C@@H](OCC)[C@H](CNC(=O)OC(C)(C)C)C3)cc2C1=O 1644486757 ASFPSYQUAHMXGG-VQIMIIECSA-N 457.527 2.470 30 10 JEEE C=CCC1(O)CCN(C(=O)[C@@H](NS(=O)(=O)c2ccc3c(c2)OCCCO3)C(C)C)CC1 1644942774 JVMYRLQYGUFEJL-FQEVSTJZSA-N 452.573 2.080 30 10 JEEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CC2(O)CCCCC2)c1 1649663971 HBDJQRYZTZAVOR-OAQYLSRUSA-N 476.578 2.333 30 10 JEEE C=CCn1c(O)nnc1SCC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 1656378286 LCUVMENNOUBGIM-UHFFFAOYSA-N 451.574 2.465 30 10 JEEE C#CCCCn1c(COc2ccc(F)cc2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1689938124 AHYIYQVYVHTTTB-QHCPKHFHSA-N 454.506 2.224 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)on2)n1CCN1CCOC[C@@H]1C 1690100832 DSMYJGDIJNCSFO-IBGZPJMESA-N 450.543 2.407 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC(C)(C)N2CCCCC2)CC1 1690113709 RJSWFKXNMGJCHS-RUZDIDTESA-N 458.651 2.338 30 10 JEEE C#CCSCCn1c(-c2ccc(Br)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1690161815 QUXQETWBCMQDGZ-MRXNPFEDSA-N 461.389 2.288 30 10 JEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCN(c2cccc(OCC)n2)CC1 1690674363 YDBSNHWHLRDTQD-UHFFFAOYSA-N 482.614 2.056 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H](N2CCOCC2)C(F)(F)F)C1 1690714763 UHIRZFKUAMUCID-RDGPPVDQSA-N 489.539 2.047 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1690726950 QWQFWPNVXOSPHB-UHFFFAOYSA-N 492.671 2.259 30 10 JEEE CCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1694737980 CKLJDDNZKZBWHY-KDURUIRLSA-N 452.607 2.322 30 10 JEEE CSC1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(OCC(N)=O)CC2)CCN(C)CC1 1698359815 GLOJNYYGOSTBRR-UHFFFAOYSA-N 483.642 2.115 30 10 JEEE C#CCN(c1nnc(C(C)C)n1C[C@H](c1cccc(C)c1)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1705561701 VXRGXSBPCAPYRV-DHIUTWEWSA-N 485.654 2.410 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1CC1(COC)CCCCC1)[C@H]1CCS(=O)(=O)C1 1705565246 HMBLWHZKIDJTLK-OALUTQOASA-N 450.605 2.006 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@H](C)N2CCc3ccccc32)CC1 1705635327 WEXFSLKRLXYFIW-LEWJYISDSA-N 452.603 2.209 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccn3C)n2C[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 1705637697 IQBBDVLIPZHKBX-IBGZPJMESA-N 453.591 2.438 30 10 JEEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCc2cccc(Br)c2C1 1705907827 YTRPNGYWSZHQSU-UHFFFAOYSA-N 473.375 2.028 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1705933217 YBSLVCQQVYDFQS-OAQYLSRUSA-N 492.609 2.313 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCO[C@H](c3ccc(F)cc3)C2)nnc1[C@@]1(OCC)CCOC1 1705939061 RARAEEKXCJILLT-NZQKXSOJSA-N 494.589 2.248 30 10 JEEE CCN(c1nnc(-c2ccc(C#N)cc2)n1CCC(=O)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 1709937821 AJRGGUGHAXUAPC-FQEVSTJZSA-N 470.599 2.233 30 10 JEEE CCn1cc(Cn2c(C(=O)NC(C)C)nnc2N2CCCN(c3ccccc3C#N)CC2)cn1 1710184088 FMLWJPMGMKMAQY-UHFFFAOYSA-N 461.574 2.269 30 10 JEEE COCCN1C[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(CC(=O)N(C)C)CC2)CC1=O 1712468270 ADIBUSZSTUNVTK-OAQYLSRUSA-N 493.612 2.006 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@H](C)c1ncc(C)s1)[C@@H]1CCS(=O)(=O)C1 1722367064 UUFMSJLIDDLYPI-CECAUBDESA-N 493.655 2.126 30 10 JEEE C#CCN(c1nnc(Cn2ccc3ccccc32)n1CC(C)(C)CN(C)C)[C@@H]1CCS(=O)(=O)C1 1722370231 ATFSRGYBTMOKAO-OAQYLSRUSA-N 482.654 2.496 30 10 JEEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1CCc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1722372159 QLVYYWSESPZULV-HXUWFJFHSA-N 497.646 2.447 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2Cc2c(C)nn(C)c2C)CC1 1722450840 RYSDGRJBUSDANW-UHFFFAOYSA-N 479.560 2.361 30 10 JEEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1722537418 OBPXAQTUZDLXNP-MOPGFXCFSA-N 452.563 2.142 30 10 JEEE C=CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C)C(=O)[C@@H]1C 1722597656 PPHLZKWGUTYYNP-KRWDZBQOSA-N 460.604 2.219 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(OCC(F)(F)F)nc2)C1 1722712963 CDZTUZMOQVQOML-JKSUJKDBSA-N 466.464 2.395 30 10 JEEE Cc1nccnc1CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1725764778 FEIQCDBIDJIHJT-LJQANCHMSA-N 451.556 2.171 30 10 JEEE COCCn1cc(Cn2c(COc3ccc(OC)cc3)nnc2N2CC[C@](F)(C#N)C2)cn1 1730773081 CQOAXOQPHJNCQZ-QFIPXVFZSA-N 455.494 2.199 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc(OC(F)(F)F)cc1 1740533084 ONBVCYHPVZGFPM-KBPBESRZSA-N 459.494 2.488 30 10 JEEE C#CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCCN(CC)C(=O)C1 1740573839 BNUCGUFWYFVZFT-UHFFFAOYSA-N 450.591 2.314 30 10 JEEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1CCc1cn[nH]c1)[C@@H]1CCS(=O)(=O)C1 1740617401 QNXXISUVUYIKJF-NHCUHLMSSA-N 452.584 2.413 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H](C)N1CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1740622067 SYHNEMDEFNDNDQ-AABGKKOBSA-N 456.616 2.087 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1CC1(COC)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1740627192 ZBPUXMQYPWYWKE-JOCHJYFZSA-N 486.638 2.247 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1cc(F)ccc1F)[C@H]1CCS(=O)(=O)C1 1740628580 ZAXSCABKKSDQAR-HKUYNNGSSA-N 450.511 2.473 30 10 JEEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1CCc1cccc(C(=O)N(C)C)c1 1740646560 DOTDTCCFKXTXRW-SANMLTNESA-N 463.582 2.338 30 10 JEEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1740718125 IFNSRLNSQJDZJM-NHCUHLMSSA-N 474.675 2.409 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1740761288 MTELFYQUNWDXBU-XPNTWCBSSA-N 474.650 2.491 30 10 JEEE C=C(C)COCCn1c(-c2ccc(F)cc2Br)nnc1N1CCO[C@H](C(=O)NC)C1 1740790280 QDVYUKYESYNHNZ-KRWDZBQOSA-N 482.354 2.391 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(OCc2ccccc2)CC1 1740952304 ZKRRKFYKIIWXLI-UHFFFAOYSA-N 475.553 2.413 30 10 JEEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(Cc2ccccc2C)CC1 1740963277 GESVHOIHOFNVLH-UHFFFAOYSA-N 493.637 2.202 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCC(C)(C)C2CC2)C1 1740982198 SBNUHWJRVGSOFX-OALUTQOASA-N 467.636 2.219 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCS(=O)(=O)N(C)C)C1 1740984953 MSNVFEIWEJRIAT-ROUUACIJSA-N 498.650 2.023 30 10 JEEE C#CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@]1(C)CN(C2CC2)C1=O 1748789112 VUICMFQNGJZFDU-OSPHWJPCSA-N 456.591 2.473 30 10 JEEE C#CCN(c1nnc([C@@H](C)CC)n1CCN1CCc2ccccc2C1)[C@H]1CCS(=O)(=O)C1 1748804652 JPDNVLVQWXRZMG-UGKGYDQZSA-N 455.628 2.477 30 10 JEEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1nnc(C)s1 1748930126 YEYAETXPYGHSBU-MRXNPFEDSA-N 461.592 2.449 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnn(C)c3)n2C[C@@H]2CCCCS2)n1 1748970883 WFSLVIPMMXBXNW-FQEVSTJZSA-N 454.604 2.447 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccccc2F)CC1 1749000997 DQOBIKWBOJIWIN-UHFFFAOYSA-N 461.501 2.079 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cn(C)nc1-c1ccccc1 1749053272 FGGIAWMVLBYDKO-UZUQRXQVSA-N 467.599 2.329 30 10 JEEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1749115862 WLORKESVKJELKB-PVAVHDDUSA-N 496.410 2.485 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCS(=O)CC1 1749129080 AKRBSCNTWVZEDR-OTWHNJEPSA-N 495.646 2.136 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCc2ccccc2)CC1 1749268710 GCBFAXMQPIIZSO-LJQANCHMSA-N 450.008 2.297 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](COC)C1 1749368618 NURLGVTUJYEJHP-ZWKOTPCHSA-N 455.625 2.076 30 10 JEEE C=CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1749425153 WYMOFPSRYHDLLV-KRWDZBQOSA-N 485.614 2.159 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@H]1CCCS(=O)(=O)C1 1749599372 CVVSVQNEHQOVFH-YLJYHZDGSA-N 462.572 2.254 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc4ccccc4n3)n2CCCNS(C)(=O)=O)C1 1749703331 GNPNOWICMBKZQU-GOSISDBHSA-N 456.572 2.214 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CCN2CCC[C@H](C)C2)c1 1760127312 WDJZOINWFDNHNG-IBGZPJMESA-N 465.602 2.204 30 10 JEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2OC)CC1 1760131578 VRUORKZSEHCQBO-SFHVURJKSA-N 460.604 2.027 30 10 JEEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN(c2cc(C)nc(C(C)C)n2)CC1 1760157528 SERZANBFIBJPDP-UHFFFAOYSA-N 450.591 2.362 30 10 JEEE C#CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(=O)NCC(F)(F)F 1760172543 SNOGCKRVCHNCDL-CQSZACIVSA-N 458.485 2.141 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1CCc1ccncc1)[C@H]1CCS(=O)(=O)C1 1760183906 DNPIDJPRNCKPKQ-IBGZPJMESA-N 481.578 2.227 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@](C)(O)c1cc(C)oc1C)[C@H]1CCS(=O)(=O)C1 1760186311 BNTRAHNLVBXPTQ-LEDOBFOHSA-N 476.599 2.264 30 10 JEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CSCCS1 1760201027 ZKDYBQHSHGGPCK-INIZCTEOSA-N 460.654 2.160 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1CC1(N2CCC(OC)CC2)CCCC1 1760217928 ROEMCKVFYZTHQT-OAQYLSRUSA-N 452.603 2.116 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1760326381 WOKFRSNCYRYLJL-SIKLNZKXSA-N 474.631 2.153 30 10 JEEE C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1760342387 KLQAYROGNVWSQE-UHFFFAOYSA-N 462.396 2.356 30 10 JEEE C=CCCCn1c(-c2cnccn2)nnc1N1C[C@@H](C(=O)OC)[C@H](CNC(=O)OC(C)(C)C)C1 1760436586 VXBMCKWRAMUQGC-IAGOWNOFSA-N 471.562 2.451 30 10 JEEE C=CCN(c1nnc(C(=O)N2CCCC2)n1Cc1cccc(OCC(=O)N(C)C)c1)C1CC1 1760469187 XLCPGERYZKLRHR-UHFFFAOYSA-N 452.559 2.184 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1nc2c(s1)CCCC2 1760495234 IFJWEXPLVYGZEY-GOSISDBHSA-N 492.671 2.367 30 10 JEEE C=CCNC(=O)Cn1c(Cn2ccc3ccccc32)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1760527066 MGJPIDRTWFMNDW-HXUWFJFHSA-N 463.586 2.324 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1764127131 BMZHJFOIBKRQCD-XDHUDOTRSA-N 484.580 2.307 30 10 JEEE CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 1766877819 IEJSRLXKIRYRSC-NRFANRHFSA-N 480.491 2.347 30 10 JEEE Cn1c([C@H](C#N)C(=O)CN2CCN(c3nc(O)cc(C(F)(F)F)n3)CC2)nc2ccccc21 1859427978 DEUJMXVSKAGDOU-CYBMUJFWSA-N 459.432 2.086 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@@H]2c2ccccc2[N+](=O)[O-])cc1F 1862643095 SXKTVXKWJYFJRN-LJQANCHMSA-N 457.414 2.457 30 10 JEEE N#Cc1nnn(-c2ccc(Br)cc2)c1NC(=O)CN1C(=O)c2ccccc2C1=O 1870141907 QCMRWDZTPONHDU-UHFFFAOYSA-N 451.240 2.136 30 10 JEEE CS(=O)(=O)Nc1ccc(C(=O)Nc2c(C#N)nnn2-c2ccc(N3CCCC3)cc2)cc1 1870143187 AWKGWGSUSGHGBU-UHFFFAOYSA-N 451.512 2.363 30 10 JEEE C=CCN(CC=C)c1nc(=NCCN2C(=O)CSC2=O)[nH]c(=Nc2cc(NC(C)=O)ccc2C)[nH]1 1871623897 WZXXSIDDDXEDOL-UHFFFAOYSA-N 496.597 2.012 30 10 JEEE COc1ccccc1OCc1nnc(SCC(N)=O)n1/N=C/c1ccc2c(c1)OCCO2 1874289404 CHLCFRBHFJBHRL-FOKLQQMPSA-N 455.496 2.097 30 10 JEEE CN[C@H](C#Cc1ccccc1Br)[C@]1(NC(=O)OC(C)(C)C)CCS(=O)(=O)C1 2235717463 BDSIKYJSJYGKIH-APWZRJJASA-N 457.390 2.471 30 10 JEEE CN(CCN(C)C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1)C(=O)OCc1ccccc1 2247915548 DXROFQJFYLTMII-UHFFFAOYSA-N 456.352 2.060 30 10 JEEE CC(C)SC[C@H](NC(=O)OC(C)(C)C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2256637124 SCBZDOUNABUXMG-LBPRGKRZSA-N 472.442 2.233 30 10 JEEE Cc1cc(CNC(=O)C[C@H](O)CNC(=O)OC(C)(C)C)sc1B1OC(C)(C)C(C)(C)O1 2256679914 OOVIJRBMCNDLQY-AWEZNQCLSA-N 454.398 2.248 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](CNC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)CO1 2267167493 GWANYMDBUYTEAO-KBPBESRZSA-N 467.397 2.102 30 10 JEEE CC(C)(C)OC(=O)NCC[C@H]1CN(C(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)CCO1 2267170020 PRXITLUXTXVNNG-AWEZNQCLSA-N 467.397 2.198 30 10 JEEE CC(C)[C@H](CCNC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2267515508 POSOEPLKXIIDAP-INIZCTEOSA-N 450.389 2.389 30 10 JEEE Cc1nc(NC(=O)[C@@H]2C[C@H](F)CN2C(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2268641024 KYSVUIMPOKJASF-ZFWWWQNUSA-N 450.320 2.370 30 10 JEEE Cc1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H](CO)CNC(=O)OC(C)(C)C 2270440304 AUSVLBRUBNWBCC-CQSZACIVSA-N 452.332 2.049 30 10 JEEE Cc1c(C(=O)N2C[C@H]3CC[C@@]3(NC(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281806495 KFYNQTAODBOYQG-IQMFZBJNSA-N 460.384 2.157 30 10 JEEE CCc1nn(C)c(C(=O)N[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2281982878 QACPLXLDPZUOJP-OAHLLOKOSA-N 462.400 2.411 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]2C[C@H]21 2281998453 PABHRIRKNWLQTK-XHSDSOJGSA-N 460.384 2.155 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H]3C[C@@H](CN(Cc4ccccc4)C3)C2)n1 2282037721 ZCPURDXFSKJYSY-PMACEKPBSA-N 450.392 2.313 30 10 JEEE Cn1cc(C(=O)N2CC([C@H]3CCN(C(=O)OC(C)(C)C)C3)C2)nc1B1OC(C)(C)C(C)(C)O1 2282054061 LVLNMVDPQSXETF-HNNXBMFYSA-N 460.384 2.048 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)CCO1 2282180860 YEIMPNSRFIHEAA-DLBZAZTESA-N 461.368 2.183 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](NS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C(C)(C)C1 2282352739 BODDUSADOAVNEZ-KRWDZBQOSA-N 481.424 2.305 30 10 JEEE CC(C)(C)OC(=O)NCC1(NC(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)CCOCC1 2282514218 ACZPROCLYAYEAB-UHFFFAOYSA-N 461.368 2.185 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@]23CC[C@H]2CN(Cc2ccccc2)C3)n1 2282536347 BCVVGCGARHVCLT-DFBJGRDBSA-N 450.392 2.361 30 10 JEEE CCc1nn(C)c(C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C2CC2)c1B1OC(C)(C)C(C)(C)O1 2282557833 ANNNJQQXWBHQMC-INIZCTEOSA-N 462.400 2.315 30 10 JEEE CCc1nn(C)c(C(=O)N[C@@H]2C[C@H](C)N(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2282560184 TUYAUDSZMTUKEC-LSDHHAIUSA-N 462.400 2.409 30 10 JEEE CN(Cc1ccccc1)[C@H]1CCCCN(C(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)C1 2282615261 XLCBKQPFUXCJOF-IBGZPJMESA-N 453.396 2.241 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](CC(=O)NCc2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2283943683 CMBAOPZCSPSOCF-IEBWSBKVSA-N 460.380 2.220 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC(COCc2ccccc2)(C(=O)O)C1 2284452275 DLTBMZJNUOHPJB-UHFFFAOYSA-N 472.372 2.494 30 10 JEEE Cc1ccnc(C(=O)N[C@H](COCc2ccccc2)CC(=O)O)c1B1OC(C)(C)C(C)(C)O1 2284473416 XMHXWSABNNRJPX-SFHVURJKSA-N 454.332 2.479 30 10 JEEE C=CCN(CC=C)c1nc(NC(=O)C=Cc2cccc([N+](=O)[O-])c2)n([C@@H]2CCS(=O)(=O)C2)n1 2331675905 RQESSKAIVFFQLW-GOSISDBHSA-N 472.527 2.376 30 10 JEEE CC(C)(C)OC(=O)N[C@@]1(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C[C@@H]2CCC[C@@H]21 2334698218 MIZPUDLISFCBJL-BYVOGVQKSA-N 464.397 2.281 30 10 JEEE C[C@H](CNC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 2362504539 DFFRADMHDXPJNH-PEBXRYMYSA-N 481.424 2.180 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)N2CC[C@H]1C2 2368741948 HHJSQIIMHXYCJD-IRXDYDNUSA-N 477.436 2.471 30 10 JEEE CN(C(=O)c1nn(C)c(Cl)c1B1OC(C)(C)C(C)(C)O1)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1F 2369667020 HAHCBBJKMJRNGW-CHWSQXEVSA-N 486.781 2.402 30 10 JEEE COc1ccc(NC(=O)CSc2nnc(N/N=C(\C)c3ccc4c(c3)OCO4)n2N)cc1OC 21318334 MDAOJYLSFLAFLY-WYMPLXKRSA-N 485.526 2.305 30 10 JEEE Nn1c(N/N=C/c2cc(Cl)ccc2O)nnc1SCC(=O)Nc1ccc2c(c1)OCCO2 21320182 HNXHKCCQJSSIFK-LSFURLLWSA-N 475.918 2.299 30 10 JEEE CN(C)c1ccc([C@H]2c3c(nc(NCc4ccc5c(c4)OCCO5)[nH]c3=O)NC(=O)[C@@H]2C#N)cc1 72472491 GKMMLDJJIJMZBO-YLJYHZDGSA-N 472.505 2.443 30 10 JEEE C=CCN(C(=O)CN(C)S(=O)(=O)c1ccc(NC(C)=O)cc1)c1nc(C(=O)OCC)cs1 409825061 NDFJELXIIONOKW-UHFFFAOYSA-N 480.568 2.118 30 10 JEEE Cc1c(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)nnn1-c1cccc2cnccc12 521264280 AIHFWSKVNZJWEN-UHFFFAOYSA-N 487.545 2.142 30 10 JEEE COCCNS(=O)(=O)c1ccc(C)c(C(=O)O[C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)c1 923251554 FBJYYXCKGJQHKR-HRZDDSQGSA-N 479.599 2.396 30 10 JEEE CCOC(=O)c1c(NC(=O)CSc2n[nH]c(NN=Cc3cnn(C)c3)n2)sc2c1CCC2 1084032801 MPUNIMRKSNDJBW-UHFFFAOYSA-N 474.572 2.442 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 1128538346 MGRRBSGNKUCGDJ-DYESRHJHSA-N 452.573 2.202 30 10 JEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCNC(=O)c1cccc(C)c1 1286376132 FYCMOUXOVMOXAL-HXUWFJFHSA-N 482.585 2.394 30 10 JEEE C#CCN(c1nnc(-c2cc3c(s2)CCCCC3)n1CCOCCCO)[C@H]1CCS(=O)(=O)C1 1286385314 WIAUVQBUAIEYTO-IBGZPJMESA-N 492.667 2.301 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H](C)CN1CCN(CC)CC1 1286408538 CVHISRNCWLUGOO-QPPBQGQZSA-N 462.598 2.137 30 10 JEEE C=C(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1)c1ccccc1 1286614890 DHWPHHKGXAPGBG-IEBWSBKVSA-N 481.644 2.005 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCS[C@@H](C(C)C)C1 1286791692 ZHXKJCRJLPOJLG-QZTJIDSGSA-N 494.662 2.467 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(CCOC)[C@@H](C)C1 1286815772 DUCMISNJRQSRGY-KRWDZBQOSA-N 468.023 2.356 30 10 JEEE C=CCSCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCS(=O)CC1 1286825839 QDEWSJHEQQSKID-UHFFFAOYSA-N 468.674 2.035 30 10 JEEE CC(C)NS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1288271931 CCIYJCXMKDNFSE-LJQANCHMSA-N 458.588 2.150 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1C[C@H]1CCN(CC(F)(F)F)C1)[C@H]1CCS(=O)(=O)C1 1300483156 IHXCARMBBRXIPL-IKGGRYGDSA-N 461.554 2.303 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@]1(OC)CCOC1 1300676398 ONQWHOHGTUTWAY-MBSDFSHPSA-N 463.579 2.242 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](c2ccco2)N(CC)CC)CC1 1300682451 MOOPFXUOPFNYGB-HXUWFJFHSA-N 476.585 2.357 30 10 JEEE C#CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(CC(C)C)C(=O)C1 1300750719 ADNJIIOTPVBDSY-UHFFFAOYSA-N 455.584 2.387 30 10 JEEE C=C(Br)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1300857780 GLKGAWXOPKSXKX-QGZVFWFLSA-N 464.364 2.334 30 10 JEEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 1300950380 BXSWIGMHKMWDSJ-MAUKXSAKSA-N 462.551 2.296 30 10 JEEE C=C(C)COCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1300972842 QZUILKIRCQXMNI-HXUWFJFHSA-N 495.584 2.213 30 10 JEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(NC(=O)N(C)C)cc2)CC1 1301105527 KPQJJRLWIGVTIQ-INIZCTEOSA-N 475.619 2.433 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCC[C@H]1c1cnn(C)c1 1301519608 QAWGCOSVXILPQO-SFHVURJKSA-N 451.531 2.243 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(C)nc3ccccc23)nnc1N1CC[C@H](C(=O)OC)C1 1301569349 WQMNAIBWCWGAEI-KRWDZBQOSA-N 469.567 2.402 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1301576581 FHQLGSIKOZKEIL-INIZCTEOSA-N 496.996 2.379 30 10 JEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCC(=O)N(CC)CC 1358949898 QOFVXRIYEJWEBI-SFHVURJKSA-N 462.595 2.305 30 10 JEEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H](N1CCOCC1)C(F)(F)F 1358954587 NPVWDFSOBNHKPC-BBWFWOEESA-N 486.539 2.381 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CCCN1C[C@@H](C)C[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1358965578 XJXZBWVSWIRGTG-XJUOHMSHSA-N 484.670 2.259 30 10 JEEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1359055324 ANCIKAIQTVJLPE-AWEZNQCLSA-N 470.521 2.445 30 10 JEEE C=C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCN2CCC(O)CC2)CC1 1359161369 AOIKESBCYHUAGZ-UHFFFAOYSA-N 459.616 2.352 30 10 JEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(-c3n[nH]c(C)n3)cc2)CC1 1359174236 YMXMQVNIVHZBNI-OAHLLOKOSA-N 470.603 2.433 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(F)(F)C2(OC)CCOCC2)CC1 1359179306 QYWFZYNQTCQJKH-KRWDZBQOSA-N 474.574 2.414 30 10 JEEE C=CCCOCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@H](C(N)=O)C1 1359226511 HCBBUABXFSRUAZ-SFHVURJKSA-N 462.595 2.297 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCOC[C@@H]1OC 1359254756 BWWOPRBOEGGVNQ-VWPQPMDRSA-N 490.626 2.433 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)Cc1cnc(C)s1 1359328723 MMYBZNQNCRSLJI-UHFFFAOYSA-N 495.652 2.351 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1359332528 ZTBLNTVBIHWBJM-UXHICEINSA-N 477.635 2.245 30 10 JEEE CC(C)C[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1)N(C)C 1359771836 FDHYBTJXVQPZRK-SFTDATJTSA-N 480.617 2.261 30 10 JEEE CC(C)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCO[C@H]2C)[C@@H](C)C1=O 1360017012 AKDPYYRLLVGPJY-LLJLJFOGSA-N 452.559 2.050 30 10 JEEE CC#CCS(=O)(=O)c1cccc(C(=O)NCc2ccccc2N2CCN(C(C)=O)CC2)c1 1442764135 ZEHPJNAGQWFNST-UHFFFAOYSA-N 453.564 2.082 30 10 JEEE Cc1ccc(C)c(C2=NO[C@H](C(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)C2)c1 1464022212 BWMADWUNWBXVMK-QFIPXVFZSA-N 452.536 2.201 30 10 JEEE CCCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCOCC2)C1 1499877145 AKWLHQVMSWNHRB-HXUWFJFHSA-N 452.559 2.243 30 10 JEEE COC[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1504569221 AWJCUQZQMPGMAQ-DENIHFKCSA-N 465.558 2.422 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CCc2cccc(C)n2)c1 1507550358 JFSOETIKZXGING-NRFANRHFSA-N 457.538 2.232 30 10 JEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC2CCCCC2)CC1 1507557377 PZUOIMVQSYSOKN-IBGZPJMESA-N 450.653 2.394 30 10 JEEE C#CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1507580119 SVSMSDAUOMLSHW-NRFANRHFSA-N 466.586 2.119 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1507629708 WDXADTRLCXJXJM-OAQYLSRUSA-N 463.567 2.039 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@](C)(O)c2cccc(Cl)c2)CC1 1507718352 CNZFGEUULYNHEY-RPWUZVMVSA-N 474.005 2.247 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCN(C(C)C)CC2)CC1 1507735532 XXLRRASHYMPCJH-UHFFFAOYSA-N 489.624 2.018 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1507743456 BXDSOSHTAHLIQI-MRXNPFEDSA-N 471.587 2.395 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(C(=O)OCc2ccccc2)CC1 1508081533 LBZUGEIEOKFGFL-UHFFFAOYSA-N 463.542 2.045 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1508141068 LAPHIMXRKQSUQF-QHCPKHFHSA-N 498.653 2.357 30 10 JEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC(c2cccc(OC)c2)CC1 1508144629 VTAXTFDTHRIASB-UHFFFAOYSA-N 487.626 2.394 30 10 JEEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C(F)(F)F)c1 1509949079 CAOHDWHLLKZNTL-PBHICJAKSA-N 486.520 2.416 30 10 JEEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccnc(-n2cccn2)c1 1517449538 DFXPHVWFUJORHK-QGZVFWFLSA-N 455.526 2.264 30 10 JEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 1539071590 CKYGZJCMHSIGSH-TZIWHRDSSA-N 475.659 2.459 30 10 JEEE C#CCN(CC)c1nnc(Cc2cn3ccccc3n2)n1CCNC(=O)Cc1cccc(F)c1 1539375905 KAZMPECFCPKWAX-UHFFFAOYSA-N 459.529 2.474 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H]2CCCO2)CC1 1539467576 VUCKCZLWGZZERX-OAQYLSRUSA-N 464.570 2.292 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H](C)N1CCOCC1 1539540810 VEJIGHPSUNTKSX-WZONZLPQSA-N 457.600 2.061 30 10 JEEE C=CCC(C)(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(C(N)=O)CC1 1539907048 WRQABVJEOJWOAG-UHFFFAOYSA-N 474.631 2.499 30 10 JEEE C=CC[C@@H](Cn1c(Nc2cnn(C)c2)nnc1[C@H]1CN(S(C)(=O)=O)CCO1)c1ccccc1 1539948777 RTWDBWJMVVSODI-AZUAARDMSA-N 471.587 2.448 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCC(C)CC2)nc1 1540201263 REYBUULUHCDHMR-OAQYLSRUSA-N 488.658 2.499 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCN2CCN(C(C)=O)CC2)C1 1540896546 NYYJJMOGHRJQDU-YPAWHYETSA-N 474.650 2.142 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1540900673 DHKDLWALOPIUST-HXUWFJFHSA-N 485.031 2.214 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1540902721 OVHXYODXXODSDS-LJQANCHMSA-N 483.635 2.425 30 10 JEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1540916717 FIMULNLHUDRQNX-LJQANCHMSA-N 481.688 2.328 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCn2cncn2)C1 1541213013 FHZKUQZOBBXSCR-SFHVURJKSA-N 463.546 2.459 30 10 JEEE CNC(=O)[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CC12CCN(C(=O)Cn1cccn1)CC2 1548378123 VEXQJCQIJMOXJJ-IBGZPJMESA-N 474.487 2.265 30 10 JEEE N#Cc1ccc(N2CCC([C@@H]3CN(C(=O)Cn4cccn4)C[C@H]3C(N)=O)CC2)cc1C(F)(F)F 1548393487 YZWABEUGLTXSCT-RBUKOAKNSA-N 474.487 2.250 30 10 JEEE CN(C)C(=O)[C@@H]1CCCN1CCCn1c(-c2ccc(C#N)cc2)nnc1N(C)CCn1cccn1 1552662069 GOYKBRUCUNZCFI-QFIPXVFZSA-N 475.601 2.092 30 10 JEEE Cc1nsc(N2CCN(C(=O)NC[C@@H]3CN(Cc4ccccc4)CCCO3)CC2)c1C#N 1564560561 GKFUTEVAXZPMFR-HXUWFJFHSA-N 454.600 2.446 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@]1(C)CCCO1)[C@H]1CCS(=O)(=O)C1 1588034438 FZZQACGCWXEJSM-MBSDFSHPSA-N 474.583 2.158 30 10 JEEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(N2CCOCC2)c(F)c1 1588089393 KRYCJFIYENXFMV-SANMLTNESA-N 481.572 2.416 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC(=O)N1CCOCC1 1588594502 HXVLCYNIPRANDK-KRWDZBQOSA-N 457.600 2.076 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@H]2NC(=O)CC2(C)C)CC1 1588741549 DTLFJHCKDUZSJL-FXAWDEMLSA-N 454.550 2.227 30 10 JEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCC(=O)NC2CCCCC2)CC1 1594192505 JZQMDYDSZPKJDS-INIZCTEOSA-N 452.625 2.130 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 1595523499 WNYMKRIOMVSQPY-LJQANCHMSA-N 460.542 2.201 30 10 JEEE C=CCNC(=O)Cn1c(N2CCc3ccc(OC)cc3C2)nnc1[C@@]1(OC(C)C)CCOC1 1595603104 XUNYLJAIPKYZNJ-XMMPIXPASA-N 455.559 2.192 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(N3CCSCC3)CCCC2)C1 1595672694 BSCVMIQDLVQDJA-OALUTQOASA-N 498.719 2.031 30 10 JEEE CC(C)NC(=O)c1nnc(N(C)C[C@@H](C)C#N)n1Cc1ccccc1CN1CCC(O)CC1 1596781410 BDERMJILYWBBLC-SFHVURJKSA-N 453.591 2.017 30 10 JEEE CC(C)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC2(O)CCOCC2)[C@H](C)C1=O 1607567018 HHXYFSSQGAFNHK-HXUWFJFHSA-N 496.612 2.353 30 10 JEEE CCCc1nc(C)c(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCS(=O)(=O)CC2)o1 1614434372 GEUUNTSLBKFDSN-UHFFFAOYSA-N 470.555 2.261 30 10 JEEE CCN(CC)C(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)COC)CC1 1615328588 GLSNBNVJDPDSBB-UHFFFAOYSA-N 467.618 2.480 30 10 JEEE COCCN1C[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2C[C@@H](C)[C@@H](C)C2)CC1=O 1619930552 BTADETBZBXWLMJ-WSTZPKSXSA-N 452.559 2.316 30 10 JEEE C[C@H](CC(=O)N1CC[C@@H](N(C)CCc2ccccc2)C1)/N=C1/NS(=O)(=O)c2ccccc21 1640006166 FLPPQGHOTWUUCH-UYAOXDASSA-N 454.596 2.279 30 10 JEEE N#Cc1cc(F)ccc1N1CCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CC1 1648066925 IDJROQCUOIKXRG-OAQYLSRUSA-N 452.559 2.290 30 10 JEEE COc1ccc(CN2CCCN(C(=O)CN3CCN(c4ccsc4C#N)CC3)CC2)cc1 1654225820 HHZBPXQDLKYWID-UHFFFAOYSA-N 453.612 2.485 30 10 JEEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 1689873846 ZAVCTPKEHVPTGT-UHFFFAOYSA-N 483.661 2.135 30 10 JEEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(C(F)(F)F)cc1C)[C@@H]1CCS(=O)(=O)C1 1689987748 BQNVMWDOLRMLBJ-QZTJIDSGSA-N 495.527 2.231 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(OC)cc(OC)c2)n1CCN1CCN(C)C(C)(C)C1 1690036080 UVDDGOLLLOSLHO-UHFFFAOYSA-N 464.614 2.451 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CC(=O)NCC(F)F)CC1 1690137687 GNOZYDGWROKHCJ-IBGZPJMESA-N 472.540 2.167 30 10 JEEE C#CCSCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCCN(S(C)(=O)=O)CC1 1690181303 TYTOGBSDUXIXLC-UHFFFAOYSA-N 472.640 2.188 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1690250632 JWSXSNOFOFPVDT-NZQKXSOJSA-N 472.634 2.465 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCN2CCCC2)C1 1690700423 SAYYEHHTPVNILF-UXHICEINSA-N 476.622 2.464 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CC[C@]2(C)[C@@H](C1)C2(Cl)Cl 1690714111 FEVSCKWZYFZUGL-CXAGYDPISA-N 464.419 2.037 30 10 JEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(c2ncccc2F)CC1 1690744255 LDGNQFVFCHCSLE-QGZVFWFLSA-N 480.635 2.350 30 10 JEEE CCOC(=O)N(C)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(C(N)=O)CCOCC2)CC1 1695948893 HQTXAUGEDXDFKB-UHFFFAOYSA-N 495.584 2.156 30 10 JEEE CN(c1nnc(-c2ccc(C#N)cc2)n1Cc1ncnn1C(C)(C)C)C1CCN(S(C)(=O)=O)CC1 1696628377 CAKWVQKNNZVIFS-UHFFFAOYSA-N 497.629 2.072 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1CCn1cc(Cl)cn1)[C@H]1CCS(=O)(=O)C1 1705565463 USVSWXXECJPUHR-SFHVURJKSA-N 458.975 2.430 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1Cc1cscc1C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1705566918 RQAUIYZQOOVTED-AWEZNQCLSA-N 482.513 2.490 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1CC[C@@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1705569170 CYYLVWHRJHFVDD-OALUTQOASA-N 463.629 2.220 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@@]2(C)CN(C)C2=O)CC1 1705633922 BUBGBNBCKLQZCE-OAQYLSRUSA-N 475.366 2.080 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC2CCN(C(=O)OC)CC2)CC1 1705636395 IMDNKPNMQNYVDN-UHFFFAOYSA-N 482.585 2.196 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@]2(N(C)C)CCSC2)CC1 1705649741 DRSRUFUFJVWLFT-HSZRJFAPSA-N 487.699 2.037 30 10 JEEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](NC(=O)CCC)C1 1705679132 CGXBKCWRVKCOFG-HNNXBMFYSA-N 453.385 2.308 30 10 JEEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1CCC(OCC(N)=O)CC1 1705689419 LZOXHHIXWJIIJV-UHFFFAOYSA-N 455.382 2.013 30 10 JEEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 1705720939 ILEBDERLSSOXCG-CQSZACIVSA-N 484.985 2.219 30 10 JEEE C=C(Cl)Cn1c(N2CCN3CCOC[C@@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705761001 XUCNICGLWAJSTI-BBWFWOEESA-N 452.987 2.322 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(F)c(COC)c2)CC1 1705769017 GQQWPASHJBMHRY-FQEVSTJZSA-N 479.578 2.101 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)N2CCC[C@H](C)C2)CC1 1705769116 JCTLWPNTFABDIG-PMACEKPBSA-N 480.679 2.278 30 10 JEEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(Cc2cc(C)on2)CC1 1705888295 PXOUARWDFIDQBU-UHFFFAOYSA-N 471.587 2.000 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1705896709 VWCLVJUTTXZXHI-IBGZPJMESA-N 477.529 2.051 30 10 JEEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1722318661 QQBZKLPVVJNVOW-RTBURBONSA-N 456.616 2.230 30 10 JEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(CC(F)(F)F)CC1 1722325271 HZRNWKCXQUBFHF-UHFFFAOYSA-N 484.548 2.293 30 10 JEEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1722327620 RJPFBSHGQMBGSP-UHFFFAOYSA-N 487.490 2.229 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CC(F)(F)CO1)[C@H]1CCS(=O)(=O)C1 1722371346 VKLFECKWPPONCO-WNRNVDISSA-N 486.585 2.248 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CN(CC(C)C)CCO1 1722404996 ISHSKIFSCYJVPL-HXUWFJFHSA-N 459.616 2.165 30 10 JEEE C#CCN(CC)c1nnc(-c2cc(F)ccc2Br)n1CCCn1cc(CO)nn1 1722406110 KRQLZBBJTBDSDB-UHFFFAOYSA-N 462.327 2.480 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCc2nnc(C)s2)CC1 1722433587 AUBDQUWYAQMHST-UHFFFAOYSA-N 452.544 2.401 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC)c(Cl)c1 1722672430 QENBDOCSFIBSQT-LJQANCHMSA-N 482.006 2.500 30 10 JEEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 1722742817 ICIWXKCUXHXZMK-KRWDZBQOSA-N 473.599 2.391 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccc(C(C)(F)F)cc1)[C@H]1CCS(=O)(=O)C1 1740615826 LYFOTKCMXXQPJI-SFHVURJKSA-N 479.553 2.203 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@H](c1ccccc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1740623450 UCTLMSXBLMFYFA-VSKRKVRLSA-N 471.627 2.449 30 10 JEEE C#CCN(CC)c1nnc(COc2cc(C)cc(C)c2)n1CCS(=O)(=O)N1CCSCC1 1740674096 UAKGZQVUNJQFHS-UHFFFAOYSA-N 477.656 2.312 30 10 JEEE C#CCN1CCN(c2nnc(CSc3ccccc3OC)n2CC(C)(C)N2CCOCC2)CC1 1740700051 DJBBEHZSXTXFOA-UHFFFAOYSA-N 484.670 2.445 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCCCN2CCC[C@@H](C)C2)CC1 1740703795 AKJRDSPHHTWBFH-HXUWFJFHSA-N 464.618 2.213 30 10 JEEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1740714702 HXRUNIFNCDWWNI-WOJBJXKFSA-N 469.659 2.266 30 10 JEEE C#CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1740720483 ADBZJKWCOVMESQ-MRXNPFEDSA-N 491.543 2.388 30 10 JEEE C=C(Cl)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1740804555 ABDONGCKCXWBLT-AWEZNQCLSA-N 454.940 2.371 30 10 JEEE C=CCCOCCn1c(-c2ccccn2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1740883154 KUKLVCNBPMPSFA-GOSISDBHSA-N 450.547 2.330 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1740960975 IDQUPVVLSDAGQT-UHFFFAOYSA-N 495.049 2.075 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1740992890 OXEJCVJATXTJHI-UHFFFAOYSA-N 495.584 2.202 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCO[C@@](C)(CC)C1 1740993139 YUCONETYSBDXNS-KNQAVFIVSA-N 462.572 2.397 30 10 JEEE CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C2CCOCC2)C1 1745894017 FJHKCFVFBRBQLQ-FQEVSTJZSA-N 452.559 2.460 30 10 JEEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 1748730288 ILPOZKFRALPWII-UHFFFAOYSA-N 490.543 2.239 30 10 JEEE C#CCCCn1c(CSc2ccc(C)cc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1748763106 XIJXQQKCSJWMFN-UHFFFAOYSA-N 482.654 2.273 30 10 JEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC[C@H](C(F)F)N1CCOCC1 1748789443 JWPRUIDYWRNEFK-QZTJIDSGSA-N 498.575 2.012 30 10 JEEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1748821003 LEUCVHALCDSEHD-SFHVURJKSA-N 487.582 2.084 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(OCC)cc1)[C@H]1CCS(=O)(=O)C1 1748821656 SAJLOVKFAISYIS-NRFANRHFSA-N 482.610 2.213 30 10 JEEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1Cc1cccc(OCCN(C)C)c1 1748842203 GWPHNYLAZDJGGH-UHFFFAOYSA-N 460.538 2.067 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(C)(C)COC 1748963853 CHWKHBQNRANRRB-GOSISDBHSA-N 465.595 2.345 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(F)c(F)c2)n1 1748971088 CEZDYBVCBRWNIR-HXUWFJFHSA-N 469.496 2.038 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2CCCN2CCCCCC2=O)CC1 1748999020 FZYSIVXHEVWBDX-UHFFFAOYSA-N 480.613 2.414 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1749141268 XYCGPHBXXXQKNG-QPPBQGQZSA-N 474.650 2.320 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCN(CC(C)C)C1 1749159811 ZFQQCKWHUFRDHF-RTWAWAEBSA-N 482.695 2.381 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 1749676367 NYFYCXQVHJPUTK-UHFFFAOYSA-N 479.972 2.068 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(C)Cc1nc(C(F)(F)F)cs1 1749730787 QOPOAALAUITITJ-UHFFFAOYSA-N 475.522 2.391 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1749738546 PEXBOEVTQKQLQW-QFIPXVFZSA-N 478.707 2.216 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(CN2CCO[C@@H](C)C2)c1 1750068387 BUNQYHCDYQSWPD-LQWHRVPQSA-N 451.575 2.094 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1CCOCCS(C)(=O)=O 1760103949 OODMJNGREIUURS-GFCCVEGCSA-N 461.407 2.288 30 10 JEEE C#CCCCCn1c([C@H](CC)c2ccccc2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1760131478 TWHXRBLWQONCQS-OAQYLSRUSA-N 490.612 2.090 30 10 JEEE C#CCCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1760132234 FWEHUSDCLHJIOX-GOSISDBHSA-N 478.557 2.298 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CC1(O)CC(OCC)C1)[C@@H]1CCS(=O)(=O)C1 1760183383 OSLSASPAVHDLDW-FLPIEVNYSA-N 479.002 2.155 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1CCOc1ncccc1F)[C@H]1CCS(=O)(=O)C1 1760184517 JDIXNMOYERDFKW-KRWDZBQOSA-N 485.541 2.194 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@]1(N(C)C)CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1760185304 VBYKZLDULCZBTQ-ROKPMTFOSA-N 472.659 2.421 30 10 JEEE C#CCN(c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C/C=C/CC)[C@@H]1CCS(=O)(=O)C1 1760185754 CMSMZXUYBOTMJB-HKVOBHHDSA-N 493.630 2.179 30 10 JEEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)CCCc1ccccn1 1760300740 KXOAZXTVMPYUEP-CQSZACIVSA-N 457.398 2.261 30 10 JEEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCC(NC(=O)C2CC2)CC1 1760301479 BXTMOGJZUZOWQR-CQSZACIVSA-N 456.385 2.406 30 10 JEEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1C[C@H](C)S[C@@H](C)C1 1760515742 RFYLFHJZHSFZEI-GJZGRUSLSA-N 477.660 2.179 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H]1c1ccc(OC)cc1OC 1760523142 NJXTWRHASZVFBC-IBGZPJMESA-N 451.531 2.340 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)NC(CC)CC)nnc2N2CC(=O)N(C)C[C@H]2C)cc1 1760530304 NLPFQLWPFDXEQW-QGZVFWFLSA-N 454.575 2.477 30 10 JEEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC2(CCCC2)C1 1760566551 WTRNBKNPXJIGBO-KRWDZBQOSA-N 455.650 2.301 30 10 JEEE CC[C@H](C)N(C)CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCO[C@H](C#N)C1 1762005357 DJMFIHYPOTUVCB-ZWKOTPCHSA-N 464.574 2.134 30 10 JEEE Cc1cc(C)n(Cc2nnc(N3CCN(c4ccc(C#N)cc4Cl)CC3)n2CCC(=O)N(C)C)n1 1762454501 FQRAUEXIAQDKAU-UHFFFAOYSA-N 496.019 2.470 30 10 JEEE CCC1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(S(C)(=O)=O)CC2)CCOCC1 1764408105 HSKNCUGPFCLKQA-UHFFFAOYSA-N 458.588 2.105 30 10 JEEE CS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCCCCC[C@H]21 1771368382 CPUSCPIQVGPCAL-AZUAARDMSA-N 458.588 2.437 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCO[C@@H](C(C)C)C1 1772660120 LPVAESRAVSHLBI-HXUWFJFHSA-N 462.572 2.178 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)CN2CCN(S(=O)(=O)c3ccccc3Cl)CC2)nc1C 1858634961 KEZBGTHKABWKMA-UHFFFAOYSA-N 499.014 2.393 30 10 JEEE C[C@H](C(=O)Nc1ccc(C#N)cc1)N1CCN(c2nnc(Cc3ccc(F)cc3)c(O)n2)CC1 1859430375 YYVYKINWEBKYQO-MRXNPFEDSA-N 461.501 2.328 30 10 JEEE O=C([C@@H](Cc1ccc(F)cc1)N=C1NS(=O)(=O)c2ccccc21)N(CCO)Cc1ccccc1 1869929509 IOQDQVPJPROMTA-JOCHJYFZSA-N 481.549 2.497 30 10 JEEE CN1C(=O)c2ccc(NC(=O)[C@@H](N=C3NS(=O)(=O)c4ccccc43)c3ccccc3)cc2C1=O 1869934907 VTWRCBYEUUSPCK-FQEVSTJZSA-N 474.498 2.331 30 10 JEEE C=CCn1cc(OCC(=O)NC[C@H]2CCCO2)c(=O)cc1CN(CC)CCc1ccncc1 1870542009 LTXFGBWMQLXBHU-JOCHJYFZSA-N 454.571 2.168 30 10 JEEE C=CCn1cc(OCC(=O)N=c2nc3nc(C)cc(C)n3[nH]2)c(=O)cc1CNc1ccc2c[nH]nc2c1 1870852666 JUBFSPKWSYKANT-UHFFFAOYSA-N 499.535 2.017 30 10 JEEE C#CCO[C@@H]1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(Oc3ccccc3OC)cc2)C1 1892109126 ZRTMYSYCWPKFBC-PKOBYXMFSA-N 458.536 2.405 30 10 JEEE Cc1nc(I)c(I)n1C[C@](N)(C#N)CC1CC1 2026499344 FDVVYNIKWZXUPH-LLVKDONJSA-N 456.069 2.422 30 10 JEEE N#CCNC(=O)C(=O)Nc1cc(Br)c(I)c(Br)c1 2034335838 VRGKUAMQUGCWEB-UHFFFAOYSA-N 486.889 2.394 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)NCCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2183288637 DXIBNIBTZVOQLR-DEOSSOPVSA-N 460.380 2.016 30 10 JEEE CC(C)(C)OC(=O)N[C@H](Cc1ncns1)C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2206636517 TZKTVKIHXUOVIB-CQSZACIVSA-N 475.380 2.307 30 10 JEEE CC1(C)OB(c2cccc(CS(=O)(=O)N3CC(NC(=O)OCc4ccccc4)C3)c2)OC1(C)C 2255794691 AWZGHJVUXUTSSF-UHFFFAOYSA-N 486.399 2.426 30 10 JEEE CO[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)N(C(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2267165075 ZUXMEYFWDOTZAJ-UONOGXRCSA-N 467.397 2.197 30 10 JEEE CO[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)N(C(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)C1 2267284067 XFEZHOHAKSYRIV-LSDHHAIUSA-N 450.341 2.333 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]1NS(=O)(=O)c1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2267469173 RHHIWOBDPGKRDJ-CVEARBPZSA-N 470.372 2.459 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@H](CNC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)C1 2267542185 NYGGTZZUTCVMHN-CQSZACIVSA-N 467.397 2.056 30 10 JEEE COC[C@H](ONC(=O)OC(C)(C)C)C(=O)N(C)Cc1csc(B2OC(C)(C)C(C)(C)O2)c1 2268631450 YNRADCYMNGDPNC-HNNXBMFYSA-N 470.397 2.477 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)O 2268638270 SABUKXQHSILTER-CXAGYDPISA-N 450.341 2.207 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)Nc1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2268642289 DVEBXYBLHIXXAC-YOEHRIQHSA-N 450.316 2.434 30 10 JEEE CO[C@H]1C[C@@H](C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)N(C(=O)OC(C)(C)C)C1 2268655156 ILJNLFQDJOGXNI-KBPBESRZSA-N 467.397 2.083 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)[C@H]2COC[C@@H]21 2281948315 UHENLSWKYSPPQI-OALUTQOASA-N 458.364 2.446 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2COCCN2C(=O)OC(C)(C)C)n1 2282042420 GXTVYTJBLJAELH-INIZCTEOSA-N 461.368 2.055 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCCN(C[C@H](C)O)C(=O)OC(C)(C)C)n1 2282045244 ZJENEJRMTWKPGB-INIZCTEOSA-N 463.384 2.037 30 10 JEEE Cc1cc(C(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)ccc1B1OC(C)(C)C(C)(C)O1 2282114295 YWHFODBOOAMROG-PKOBYXMFSA-N 460.380 2.252 30 10 JEEE C[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1CNS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282424019 WOSXXNWZUXYPTO-MAUKXSAKSA-N 481.424 2.305 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2CC[C@@]2(CNC(=O)OC(C)(C)C)C1 2282485012 NPHREYIIZOTKBD-NPMXOYFQSA-N 460.384 2.096 30 10 JEEE CC(C)(C)OC(=O)N(CCO)[C@@H]1CCCN(C(=O)c2occc2B2OC(C)(C)C(C)(C)O2)C1 2282525259 PBUOQXBZGBLESV-MRXNPFEDSA-N 464.368 2.413 30 10 JEEE Cn1ncc(C(=O)NC[C@@H]2CC(C)(C)CN2C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2282574440 OWXKPGWRHAMEPL-HNNXBMFYSA-N 462.400 2.485 30 10 JEEE CC1(C)OB(c2cc(C(=O)N3Cc4ccc(NC(=O)C(F)(F)F)cc4C3)[nH]n2)OC1(C)C 2282580609 WBMSUIMNLJZZKJ-UHFFFAOYSA-N 450.226 2.366 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CCC[C@H]2NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2282581221 FFZAYUHPPHTEGZ-ZMSDIMECSA-N 460.384 2.474 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@@](C)(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2282633645 BBJIWKNRJNMRFJ-QHCPKHFHSA-N 463.384 2.317 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](CNC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1(C)C 2282694498 HFBWANQFJDCOSB-GDBMZVCRSA-N 460.384 2.445 30 10 JEEE COCC[C@@H](CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1)NC(=O)OC(C)(C)C 2282868487 NZQMKLYGJDGDAM-KRWDZBQOSA-N 484.424 2.194 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CCC(N)=O)C(=O)Nc1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2284134651 GHLWEFAXBVFIAW-MRXNPFEDSA-N 465.331 2.222 30 10 JEEE C[C@H](OCc1ccccc1)[C@H](NS(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)O 2284416677 ATGHLFIZRONQNO-JXFKEZNVSA-N 475.372 2.323 30 10 JEEE Cc1nc2c(C)cccn2c1C(O)=C1C(=O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccco1 2296933366 ICGBAZVKEWVXKB-HXUWFJFHSA-N 450.495 2.298 30 10 JEEE Cc1nc2c(C)cccn2c1C(O)=C1C(=O)C(=O)N(CCN2CCOCC2)[C@H]1c1cccnc1 2296935722 BHSPWXDEHSAIIP-NRFANRHFSA-N 461.522 2.100 30 10 JEEE CC(C)(C)OC(=O)NCC[S@](C)(=O)=NC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2300340686 CHYYQSHBWGWGBH-PMERELPUSA-N 459.399 2.205 30 10 JEEE Cn1cc(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 2359277556 BYDLTAKVKKLCAK-JYYAWHABSA-N 460.384 2.141 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC2CC3(C2)C[C@@H]3NC(=O)OC(C)(C)C)n1C 2362493478 IVAKRNAJQXQEIP-VZSHHBOJSA-N 460.384 2.203 30 10 JEEE C/C(=N\Nc1nc2c(c(=O)n(C)c(=O)n2C)n1C[C@H](O)COc1cccc(C)c1)c1ccccc1 34258609 XHRSPKYFHGZLPS-VEMGOHLESA-N 476.537 2.018 30 10 JEEE COc1ccc(CNc2nc3c(c(=O)[nH]2)[C@H](c2ccc4c(c2)OCCO4)[C@@H](C#N)C(=O)N3)cc1 72472368 IPTCJAUCQDXDFB-VQIMIIECSA-N 459.462 2.386 30 10 JEEE COc1ccc(C=NOCC(=O)NCCCCNC(=O)CON=Cc2ccc(OC)cc2)cc1 254514310 TWZDBHBPVDDHKZ-UHFFFAOYSA-N 470.526 2.118 30 10 JEEE COc1ccc(C=NNc2nc3c(c(O)nc(=O)n3C)n2CCOc2ccccc2)cc1OC 254832816 ORJYURLRJBBYTE-UHFFFAOYSA-N 464.482 2.378 30 10 JEEE N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCCCN2CCCS2(=O)=O)cc1Cl 608798423 HMRDXISXKDVSNO-LJQANCHMSA-N 474.970 2.476 30 10 JEEE Cc1ccc(C=NNc2nc(SCC(=O)N3CCCN(Cc4nnc(C)o4)CC3)n[nH]2)cc1 1084120410 POZWBKVFUZXROM-UHFFFAOYSA-N 469.575 2.077 30 10 JEEE C#CCN(c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H](C)COC)[C@H]1CCS(=O)(=O)C1 1286389428 JYEGAAFYCQQFAH-RXVVDRJESA-N 468.583 2.040 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1286393655 LWBXZNDOVOIDAB-TZIWHRDSSA-N 458.584 2.398 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](CC=C)c1ccccc1 1286429953 DXKBJEQMHKVBSE-DHIUTWEWSA-N 481.622 2.434 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCc2ccccc2OCC)CC1 1286489823 CLLWQYZFEVDMAH-UHFFFAOYSA-N 459.554 2.342 30 10 JEEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2nnc(C(C)C)o2)C1 1286537523 DWWFMDNZMKSXFE-CHWSQXEVSA-N 466.340 2.222 30 10 JEEE C=C(C)COCCn1c(COc2ccc(F)cc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1286612585 GXYLBTCZXUWAAA-UHFFFAOYSA-N 454.506 2.245 30 10 JEEE C=CCC(C)(C)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1286668971 WSXKAKKHMUTRBJ-UHFFFAOYSA-N 466.586 2.483 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CC[C@H](CO)O1 1286758980 XUGJRXTVQPLOIZ-OTWHNJEPSA-N 463.579 2.305 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1286816663 KPKAUJWUZWVWOS-UHFFFAOYSA-N 484.582 2.241 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@H](C)c1cc(F)ccc1F 1286819914 ZKWBACLVQDOKPR-CXAGYDPISA-N 453.515 2.306 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(Cc2ccccc2)C[C@H]1C 1286821032 YRBLLPCRMDIXQS-CTNGQTDRSA-N 459.616 2.094 30 10 JEEE C[C@H](Cn1c(CC(C)(C)C)nnc1N1CCN(c2ccc(C#N)cn2)CC1)N1CCOCC1 1288652189 GXLREBJJXYXEAI-LJQANCHMSA-N 452.607 2.181 30 10 JEEE C[C@H]1CCCN1CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@H](C#N)C1 1291135380 AOFWEZDALOGQCE-QFBILLFUSA-N 457.966 2.075 30 10 JEEE CCn1cccc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C(C)C)CC2)c1=O 1295950147 BQFBXNWSQHIKJY-UHFFFAOYSA-N 461.570 2.489 30 10 JEEE C#CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H]1CCCCS1(=O)=O 1300459217 PLPYIPHOYONMIQ-SFHVURJKSA-N 465.620 2.429 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H](C)c1nc(C)cs1)[C@H]1CCS(=O)(=O)C1 1300495972 LZDWGBIRHAVURT-JQHSSLGASA-N 463.629 2.367 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(N(C)C)nc1 1300644058 XLQNAMIHSPEQLH-KRWDZBQOSA-N 485.589 2.177 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(C)n2)n1Cc1ccc(CS(C)(=O)=O)cc1 1300664255 QASCKGXVMFFXBF-UHFFFAOYSA-N 453.568 2.327 30 10 JEEE C#CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@H](C(=O)NC)C1 1300732934 FTUIRPMONJWVEN-KRWDZBQOSA-N 475.018 2.190 30 10 JEEE C#CCSCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1C[C@H](OC)[C@H](OC)C1 1300756044 CQSKVMASIJIWAF-BGYRXZFFSA-N 482.610 2.281 30 10 JEEE C#CCSCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCC[C@H](C(N)=O)C1 1300756889 VMORADKNHBNECO-KRWDZBQOSA-N 479.610 2.133 30 10 JEEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(=O)NC2CCCCC2)CC1 1300928684 LOYRWEFIEOVNIB-MRXNPFEDSA-N 467.640 2.065 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)Cc1cc(Cl)ccn1 1301496646 DVVUPFJLPZGRBA-UHFFFAOYSA-N 478.944 2.179 30 10 JEEE C[C@@]1(C#N)CCCN(c2nnc(CN3CCCC3=O)n2Cc2cccc(CS(C)(=O)=O)c2)C1 1303939273 BWXVLYQEIDGPIV-QHCPKHFHSA-N 470.599 2.123 30 10 JEEE C#CCN(C)c1nnc(COc2cc(C)cc(C)c2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1358952300 FRYIOCZFAAVJSE-JOCHJYFZSA-N 452.603 2.486 30 10 JEEE C#CCN(CC#C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CC(=O)N1CCOCC1 1358970158 HJENHFWHMURQJH-UHFFFAOYSA-N 460.563 2.309 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1Cc1cccc(C(N)=O)c1 1358971207 LUPBNEJPPMJFIT-UHFFFAOYSA-N 451.328 2.266 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CC=CCC1 1359016972 QCGHMHPDHDUZLB-HXUWFJFHSA-N 457.575 2.221 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1(COC)CCOCC1 1359021202 GHJZBBWZSBMMDM-UHFFFAOYSA-N 456.543 2.246 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@@](C)(O)c2cccs2)CC1 1359043473 VHZISADTJBAPPS-HSZRJFAPSA-N 450.568 2.275 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCCOc2ccc(OC)cc2)CC1 1359044735 NEPJWZXFSXXQDA-HXUWFJFHSA-N 467.570 2.226 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)CCCN2C 1359064696 YIXFHFMBEAAWJX-GAJHUEQPSA-N 456.616 2.311 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](C(N)=O)C1 1359103856 UOTPUKWZPZOGRT-DXIQSLLYSA-N 450.543 2.412 30 10 JEEE C=CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1359287104 NBAVJPMVLRNKIW-GOSISDBHSA-N 496.616 2.399 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(=O)c2ccco2)CC1 1359294417 SOQUBUPIYLURLT-UHFFFAOYSA-N 454.918 2.456 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl 1359326546 CIZNZNZRPZIOHY-KDOFPFPSSA-N 476.430 2.135 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCN(c2nc(C)cs2)CC1 1359330866 FTDSYVSPSPVPGB-UHFFFAOYSA-N 473.628 2.341 30 10 JEEE CCN(CCS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CCCCC1 1502212604 BHWORGQVPHTLQZ-UHFFFAOYSA-N 461.588 2.295 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1Cc1conc1COC 1507648898 VFHPEAYHYPYQDL-UHFFFAOYSA-N 471.521 2.491 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@]2(OCC)CCOC2)n1CCN1CCOC[C@@H]1C 1507700757 UZTNOJARIQDQLQ-NBGIEHNGSA-N 471.577 2.430 30 10 JEEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2cc(Br)cs2)CC1 1507727872 UTIRZMFXZCXORC-UHFFFAOYSA-N 463.405 2.028 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1507782786 ANTZOWIOHWWNEZ-JKSUJKDBSA-N 473.379 2.457 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCCCO2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1507844896 RUPFKFLWEZXIKN-PMVMPFDFSA-N 474.650 2.491 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@H](CC)C1 1508074665 SMJWOFPQWYWRDH-KRWDZBQOSA-N 460.604 2.124 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(c2cc(C)nc(C(C)C)n2)CC1 1508083805 CUZJEDYXWBWTQC-UHFFFAOYSA-N 475.601 2.115 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1508092957 SQYGWLOARVBSHX-YLJYHZDGSA-N 482.585 2.224 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2ccc(Cl)s2)C1 1508140086 GGGVUGHDPIFVLM-ZIAGYGMSSA-N 486.019 2.123 30 10 JEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C)cc2)C(=O)C1 1508161454 MBAHJIUSIJZXNN-SFHVURJKSA-N 475.640 2.261 30 10 JEEE COC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(N(C)C)CCCC2)CC1 1517720367 FXVURUVSJFKDLH-UHFFFAOYSA-N 467.574 2.492 30 10 JEEE CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccn(CCC#N)n3)CC2)cc1 1532191473 HMFKARJKIRIVTA-UHFFFAOYSA-N 459.528 2.013 30 10 JEEE C#CCC1(NC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)CCC1 1535862711 LZZXMLLGMZQSOC-UHFFFAOYSA-N 451.976 2.015 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H]2CCC[C@H](O)C2)CC1 1539427666 GMVCTRWVMSJLKF-UNMCSNQZSA-N 450.587 2.454 30 10 JEEE C=C(Br)Cn1c(-c2cnccn2)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1539593085 RYZIVNLCJPBMCY-UHFFFAOYSA-N 468.315 2.376 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCC(C)(C)C)CC1 1539751566 PMWBAQLNMJTZQR-IBGZPJMESA-N 453.653 2.331 30 10 JEEE C=C(C)COCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1539758031 AJCRRVPFSZRWTR-UHFFFAOYSA-N 463.604 2.148 30 10 JEEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(N2CCOCC2)cc1 1539804191 SDMNVMRHOSSBDJ-SFHVURJKSA-N 466.007 2.406 30 10 JEEE C=C(Cl)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1539809853 AVJHXDLJSDKXLB-KRWDZBQOSA-N 478.022 2.377 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(COc3ccccc3OC)n2C[C@H]2CCS(=O)(=O)C2)C1 1540896406 LCMRFEKAVQHHLU-MSOLQXFVSA-N 462.572 2.082 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCCN(C(=O)c2cccc(Cl)c2)CC1 1540903194 AJVLWAFGJNYLDZ-UHFFFAOYSA-N 466.007 2.447 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CC[C@H](C2CCOCC2)C1 1540905223 UZVBGKOXMPDKNR-SFHVURJKSA-N 465.645 2.488 30 10 JEEE CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](OC)C(C)(C)C)CC1 1547764132 BPCYAZZOIBWAQW-HXUWFJFHSA-N 453.591 2.136 30 10 JEEE CNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1554369981 AJAQURRAOARQIS-UHFFFAOYSA-N 466.590 2.219 30 10 JEEE CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(OC)CCC(C)CC2)CCO1 1554443154 FCUSKZIZNWBQHQ-STWKMJTMSA-N 452.559 2.363 30 10 JEEE C=C[C@H](C)ONC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCN(C)CC1 1562064199 MYRFQAKFUNENKG-KRWDZBQOSA-N 451.593 2.241 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2CCOC[C@@H]2OC)c1 1587697264 LPVDSZWZPGSGPA-GMAHTHKFSA-N 491.596 2.247 30 10 JEEE C#CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCN1CCN(C(C)=O)CC1 1588016100 KCAJOWHMDCXJPV-UHFFFAOYSA-N 452.603 2.388 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1C[C@](C)(O)CCOC)[C@@H]1CCS(=O)(=O)C1 1588041329 WHNBYQWOSMYKTK-VGOFRKELSA-N 497.017 2.021 30 10 JEEE C#CCN(c1nnc(-c2cn(C)c3ccccc23)n1CCC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1588050655 UHNCFUKQWHLXDA-KRWDZBQOSA-N 455.584 2.225 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCc1csc(CC)n1)[C@H]1CCS(=O)(=O)C1 1588069257 KPFHZYJTNCGWGM-IBGZPJMESA-N 487.655 2.028 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@](C)(O)c2cccs2)CC1 1588961887 PUGMUQJIIBFPRA-XMMPIXPASA-N 481.626 2.075 30 10 JEEE C=C(C)COCCn1c(CCc2ccccc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1593758449 ZLEVNBHSDITXEY-QHCPKHFHSA-N 466.630 2.399 30 10 JEEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCc2nccn2C1 1594895863 PLUACYCEQIQMPX-QGZVFWFLSA-N 455.588 2.277 30 10 JEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCCC[C@H]1CC)C1CC1 1595058971 YNWDFTQVAJJVCU-UYAOXDASSA-N 466.652 2.030 30 10 JEEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2F)n1C[C@@]1(O)CCS(=O)(=O)C1 1595251223 PSNISHPYIUJXSF-QFIPXVFZSA-N 460.531 2.462 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CCC)Cc1ccc(F)cc1C 1595550708 HVTMNUYBMMOGEH-SFHVURJKSA-N 463.579 2.347 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1nc2cccc(Cl)c2n1C 1596782179 GTJUHVGGXYTQKN-QWHCGFSZSA-N 464.983 2.073 30 10 JEEE Cc1nc(=NC(=O)c2cccc(NS(=O)(=O)C(F)(F)F)c2)n(-c2ccc(C#N)cc2)[nH]1 1610924757 AVAGVHZNZVDKFK-UHFFFAOYSA-N 450.402 2.383 30 10 JEEE C#CCN(CC(=O)N1CCNC(=O)[C@H]1c1ccccc1Br)C(=O)OC(C)(C)C 1611006922 HGLSRNDKZSBYKG-QGZVFWFLSA-N 450.333 2.319 30 10 JEEE Cc1cccc(O[C@@H](C)c2nnc(N3CC[C@@](F)(C#N)C3)n2CC2(O)CCS(=O)(=O)CC2)c1C 1611824844 HBFFJQSLOUFHJV-PGRDOPGGSA-N 491.589 2.417 30 10 JEEE CCCNC(=O)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N(C)[C@@H](C)CC#N 1614979087 BBXGKFCIJSIGFB-INIZCTEOSA-N 450.547 2.330 30 10 JEEE COc1ccc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@H](CC(N)=O)C2)cn1 1619290239 FYUQORNXTMMZAB-GOSISDBHSA-N 461.526 2.272 30 10 JEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC(n3cc(Br)cn3)CC2)c1 1627068794 OCPWPCWALYSBCA-UHFFFAOYSA-N 451.346 2.034 30 10 JEEE C=CC1(CC(=O)NCCOc2ccc(NS(C)(=O)=O)cc2)CN(C(=O)OC(C)(C)C)C1 1632678864 UQWYPCICLNYPOX-UHFFFAOYSA-N 453.561 2.366 30 10 JEEE C=CCNS(=O)(=O)c1ccc(C(=O)N(C)CCN2CCN(Cc3ccccc3)CC2)cc1 1635183423 NOPHLWXEJIVQAW-UHFFFAOYSA-N 456.612 2.041 30 10 JEEE CCOC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)c1ccc(Cl)cc1C#N 1660589530 CJYMHHCQDNSKNW-OAHLLOKOSA-N 457.936 2.385 30 10 JEEE C=C[C@@H](COC)NC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1 1673330303 OIHZMUGRMPHZEE-KRWDZBQOSA-N 452.577 2.020 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H](C)N1CCN(CC)CC1 1689825801 CYKICBWCWBLTFM-MOPGFXCFSA-N 472.037 2.345 30 10 JEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(S(=O)(=O)c2ccccc2)CC1 1689874865 CUWLOIUUBOKLCX-SFHVURJKSA-N 493.655 2.135 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCN(CCC)C1)[C@@H]1CCS(=O)(=O)C1 1689983987 IXVYUCKWIFTTRM-IFMALSPDSA-N 466.611 2.175 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCc1ccc(Cl)s1)[C@@H]1CCS(=O)(=O)C1 1689988604 SKVAHLHMBAMUPV-OAHLLOKOSA-N 465.004 2.263 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(F)ccc2Br)n1Cc1cn(C2COC2)nn1 1690004845 IFILQOZNNVMYMR-UHFFFAOYSA-N 470.306 2.131 30 10 JEEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCc1nccc(C(F)(F)F)n1 1690066230 CJMGYAPWSDWWEP-UHFFFAOYSA-N 468.447 2.432 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(OC)c(Br)c2)n1CC(=O)NC(C)C 1690098081 UTPHIYGFFVZDFO-UHFFFAOYSA-N 464.364 2.327 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCNC(C)=O 1690102386 JWYGIEAIQVUVJE-IBGZPJMESA-N 462.595 2.005 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2CCCN2CCCCC2=O)CC1 1690133889 YBFRBRQXEAWTRC-UHFFFAOYSA-N 454.550 2.154 30 10 JEEE C#CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CCN2C(=O)CC[C@H]2C1 1690159805 NAVWEAFUFALJJW-HNNXBMFYSA-N 463.405 2.224 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(Cn2nc(C)cc2C)n1CC[C@@H](C(F)F)N1CCOCC1 1690211016 QMFMKFWSGISLSP-WMZHIEFXSA-N 461.561 2.488 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCSC(F)(F)F 1690267009 QKTGQBDSOPSOEO-ZDUSSCGKSA-N 457.544 2.266 30 10 JEEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1690627605 KSMMZGDCKYLSKY-QGZVFWFLSA-N 451.980 2.451 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 1690672723 AWMWYJQSKTZZPN-FQEVSTJZSA-N 478.532 2.106 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2c(F)cccc2F)C1 1690686236 KWPOHNJRIGPYMI-LSDHHAIUSA-N 455.531 2.191 30 10 JEEE CN(c1nnc(-c2cccc(C#N)c2)n1CC(=O)NCC(F)(F)F)[C@H]1CCCN(c2cccnn2)C1 1696630388 AOKACTJYGBGNHZ-SFHVURJKSA-N 499.501 2.390 30 10 JEEE C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1705747037 CXERKJPMKQUZOR-UHFFFAOYSA-N 452.906 2.035 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1705792701 YOEWSFDZEBGVTG-XUVXKRRUSA-N 465.664 2.330 30 10 JEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(Br)s1 1705843497 HALOHDUPVFGMMO-CQSZACIVSA-N 490.449 2.300 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCC2(CC1)COC(=O)N2)C(C)C 1705867710 UCXLGFJETSDQKY-HXUWFJFHSA-N 485.633 2.292 30 10 JEEE C=CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1CCCN(C(C)=O)C1 1705884301 LJKSJGSCWNVXIF-NRFANRHFSA-N 482.633 2.349 30 10 JEEE C=CCn1c(COc2ccccc2OCC)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1705893137 LLPSSIOVYYUJEP-UHFFFAOYSA-N 496.612 2.382 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 1705898576 QDJXXEAINXINDE-INIZCTEOSA-N 484.944 2.367 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC(=O)NC2CCCCC2)C1 1705929489 RKUKDRZZMOYHJZ-GOSISDBHSA-N 472.615 2.500 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nc2cccc(Cl)c2n1C 1706074966 HKERFDBYCRSJQT-ZIAGYGMSSA-N 461.979 2.364 30 10 JEEE COCC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1712328969 FJMIBJGGKGUHAF-PNTFMKQHSA-N 485.585 2.291 30 10 JEEE C#CCCCn1c(N2CCN([C@H](C)c3nc(C)no3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1722341441 XZMHUQJYIUYKGO-WZONZLPQSA-N 457.579 2.307 30 10 JEEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1C[C@]1(C)CCCS1)[C@@H]1CCS(=O)(=O)C1 1722372137 QEGHNVXJPFMJSV-IERDGZPVSA-N 493.680 2.182 30 10 JEEE C=C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2Cc2cc(C)nn2C)CC1 1722560853 FJWAUZYVRXVEIU-UHFFFAOYSA-N 455.588 2.442 30 10 JEEE C=CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC[C@@H]1NC(=O)NC1=O 1722640329 DDCLZNGUAXHODT-HOTGVXAUSA-N 461.567 2.003 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1722695488 FMEDESCUAIWALF-CQSZACIVSA-N 455.943 2.053 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)COC)CC1 1722707806 ZJRVYVNLEWXRMV-FQEVSTJZSA-N 455.559 2.080 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC2(S(C)(=O)=O)CC2)C1 1722713285 CYMADNUSDSIUBL-AWEZNQCLSA-N 470.393 2.394 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2CCN(CCC)CC2)C1 1722719324 STWDRMFYGFWOJB-WOJBJXKFSA-N 451.637 2.084 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1CN1CCC[C@H]1CO 1722861041 AJLDUUULGHDCDF-UGKGYDQZSA-N 465.602 2.115 30 10 JEEE CC(C)C[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2C#N)CC1)N(C)C 1723254518 CHTXOFBYUHGMIF-LEWJYISDSA-N 464.618 2.404 30 10 JEEE CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCCC[C@@H]2C)CCO1 1729679655 AMYHTNKPELJRPB-GHTZIAJQSA-N 451.575 2.032 30 10 JEEE COCC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1730628783 AIANCHZZQKLUMJ-RUZDIDTESA-N 481.601 2.332 30 10 JEEE CS(=O)(=O)CCn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@](F)(C#N)C1 1731006886 DCFJXTJEOVDKEY-INIZCTEOSA-N 460.304 2.333 30 10 JEEE C#CCN(C)c1nnc(-c2ccc(Br)s2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1740602994 CDDQOAZLEFBFPS-LBPRGKRZSA-N 458.407 2.120 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H](C)N(CC)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1740629750 YIBMCDJJZDZZTH-GUDVDZBRSA-N 495.646 2.402 30 10 JEEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 1740641652 MJVNJUHHDUEGAQ-UHFFFAOYSA-N 452.559 2.041 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1CCCNC(=O)c1occc1C 1740642906 ZDAUQZFCQVNBQO-UHFFFAOYSA-N 455.522 2.311 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCCC(=O)NC2CC2)CC1 1740692247 UEXMRLGRRAAQPR-UHFFFAOYSA-N 456.978 2.421 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CCCNc2ccccn2)CC1 1740707206 TZWUCFTZUIGHAK-UHFFFAOYSA-N 478.626 2.497 30 10 JEEE C=C(C)COCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1740788071 OUQWLXUAPGMUHZ-KRWDZBQOSA-N 467.567 2.232 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 1740957479 PDSZPRGUCSLDSB-KRWDZBQOSA-N 455.563 2.383 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2C[C@@](C)(O)C(C)C)C1 1740979420 JAFSNIYTHCPRAI-MZNJEOGPSA-N 452.559 2.380 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN2CCCC[C@@H]2CC)C1 1740982769 WPUXPTQYROAVFA-SLFFLAALSA-N 451.637 2.226 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1740994970 ZEWSQVKCQGZLPB-QHCPKHFHSA-N 489.598 2.106 30 10 JEEE CC(=O)N1CCN(CCn2c(COc3cc(C)ccc3C(C)C)nnc2N2CCO[C@H](C#N)C2)CC1 1741056977 FJNXATYDSSMDSD-JOCHJYFZSA-N 495.628 2.182 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1C[C@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1748638828 XDWKECWSFCTFIJ-CADBVGFASA-N 495.584 2.408 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2Cc2nccn2C(F)F)c1 1748690472 SLHODEUIZKPNCN-UHFFFAOYSA-N 470.484 2.112 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1CCCc1cccc(C)n1)[C@@H]1CCS(=O)(=O)C1 1748811172 CTZHBDIOKWREKN-HXUWFJFHSA-N 452.584 2.247 30 10 JEEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCC(=O)N1CCCCC1 1748913436 VOEFBGOSAXPLAR-UHFFFAOYSA-N 471.631 2.409 30 10 JEEE C#CCN(CCOC)c1nnc(Cc2ccsc2)n1C[C@H](N1CCOCC1)C(F)(F)F 1748964555 GETFCOOTMMDMTQ-KRWDZBQOSA-N 457.522 2.280 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCCN(C)c2ccccc2F)CC1 1749015597 YIVHVDFGPMWBOU-HXUWFJFHSA-N 468.577 2.413 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(=O)C(C)C)CC1 1749368205 DXFREEFCJCKDGC-GOSISDBHSA-N 451.637 2.477 30 10 JEEE C=CCCCn1c(N2CCN(C(=O)[C@H]3CCCN3C)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1749439999 OXLYWYHPCNRDEX-HYBUGGRVSA-N 460.623 2.028 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC(Oc2cncc(Cl)n2)CC1 1749664455 OBCIDJHULZLDRU-UHFFFAOYSA-N 456.938 2.077 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1749680146 FEASSMNCFHVZIH-UHFFFAOYSA-N 484.492 2.245 30 10 JEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1749755380 GIHSCVXJBDNNSV-ROUUACIJSA-N 450.634 2.446 30 10 JEEE C=CCSCCn1c(COc2cccc(C)c2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1749761199 XMSGIFGJYGUJCJ-UHFFFAOYSA-N 486.642 2.258 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)cc2Cl)n1CCS(=O)(=O)NC 1760103732 LBNIVFRZCHIASW-NSHDSACASA-N 460.785 2.368 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2CC2CCS(=O)(=O)CC2)c1 1760125975 OLOYMWVSTUNBIR-UHFFFAOYSA-N 480.594 2.165 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@H]1C[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1760181090 PIDQZQAEUVVQNP-RYQLBKOJSA-N 474.583 2.254 30 10 JEEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@](O)(c1ccccc1)C(F)(F)F 1760196157 LKSRILLJVASXKM-YADHBBJMSA-N 462.472 2.453 30 10 JEEE C#CCN(CCOC)c1nnc([C@]2(OCC)CCOC2)n1Cc1cccc(Br)n1 1760244517 XSHBCLARALVWEC-FQEVSTJZSA-N 464.364 2.222 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1cnn2ccccc12 1760244840 IYIWUGMIKLJYPZ-UHFFFAOYSA-N 464.551 2.131 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CCOC[C@H]1OC 1760253976 ZVGZEHTVSSICED-YSTOQKLRSA-N 477.606 2.186 30 10 JEEE C=CCn1c(-c2cc(OC)ccc2Br)nnc1N1CCCN(S(C)(=O)=O)CC1 1760507574 PENWSDCAUREPGM-UHFFFAOYSA-N 470.393 2.374 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CC[C@H](NC(=O)NC3CC3)C2)cc1 1760529782 GOGLXMAAGYSVER-IBGZPJMESA-N 467.574 2.070 30 10 JEEE CC(=O)N[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@](C)(O)c2ccco2)C1 1760643672 BMWDOYCVNIOPPW-CYFREDJKSA-N 464.526 2.334 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)C(=O)N[C@H](CCCC)C(=O)O)c(C(=O)OCC)c1C 1860761180 PEJPFIZIJMEMFS-GFCCVEGCSA-N 454.501 2.274 30 10 JEEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1cccc([N+](=O)[O-])c1 1862630119 MXHNDKFMRAEHQU-LJQANCHMSA-N 453.407 2.038 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)Cn2cnc3c(nnn3Cc3c(C)cccc3C)c2=O)nc1C 1870103356 CTIBSSJADNAGHS-UHFFFAOYSA-N 493.549 2.400 30 10 JEEE C=CCn1cc(OCC(=O)Nc2sc3c(c2C#N)CCC3)c(=O)cc1CN1CCN(C)CC1 1870324606 RNVBPAGTHKKRAM-UHFFFAOYSA-N 467.595 2.221 30 10 JEEE CC(C)N1C[C@@H](C(=O)NC2=C(c3nc4ccccc4s3)C(=O)CN2C[C@@H]2CCCO2)CC1=O 1873711416 SPNVTQHMCPWRIH-HOTGVXAUSA-N 468.579 2.402 30 10 JEEE COc1cccc(CC(=O)N2CCC(OCC#CCN3CCN(C(C)C)CC3)CC2)c1OC 1890335372 QHVSLTHXRKFGAE-UHFFFAOYSA-N 457.615 2.283 30 10 JEEE Cn1ncc(I)c1CNC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C 1963658527 OBMAADIMVUTLLI-GFCCVEGCSA-N 461.304 2.228 30 10 JEEE N#C[C@H]1CN(S(=O)(=O)c2cc(CO)ccc2Br)CCN1Cc1ccccc1 2157779625 JVHMCNHYUMJHQL-KRWDZBQOSA-N 450.358 2.340 30 10 JEEE C#CCn1ncc(NCCC2(OC)CN(C(=O)OCc3ccccc3)C2)c(Br)c1=O 2167649785 YGILVKYCYADOLX-UHFFFAOYSA-N 475.343 2.479 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N[C@H](CCCNC(=O)OC(C)(C)C)C(=O)O)C1 2255158141 BDAJRBGEPHSVFP-HEOKHYPTSA-N 453.536 2.167 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)sc1CNC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)O 2256626148 GOCMKQKKXMDMDP-CZUORRHYSA-N 454.398 2.246 30 10 JEEE C=C(CN(C)C(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](O)C(F)(F)F)B1OC(C)(C)C(C)(C)O1 2256677553 FQCGYEHESBLIBW-STQMWFEESA-N 452.279 2.449 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC[C@@H](NC(=O)OCc2ccccc2)C1 2264008778 FOYAQJFXFDCVDB-GOSISDBHSA-N 468.363 2.250 30 10 JEEE 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)sn1 2267155645 WVOISGGOMLXOHC-SUNKGSAMSA-N 461.315 2.360 30 10 JEEE CC1(NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2F)CN(C(=O)OC(C)(C)C)C1 2267354305 UVHFFHIRAOKCKT-UHFFFAOYSA-N 470.372 2.413 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2267468778 MVBVGOAKXMLJTD-ZIAGYGMSSA-N 487.453 2.308 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2C[C@H]1[C@@H]2NC(=O)OCc1ccccc1 2267523964 IZJGPSQKNKLBCY-YZGWKJHDSA-N 480.374 2.342 30 10 JEEE C[C@H](NC(=O)C1(CO)CN(C(=O)OC(C)(C)C)C1)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2268640880 ZMSKYPPBTBQLSR-AWEZNQCLSA-N 466.409 2.454 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)[C@@H](C(=O)O)C1 2281946046 JFCPQCNWZQDZHE-QGZVFWFLSA-N 460.336 2.132 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2C[C@H](NC(=O)OC(C)(C)C)C2(C)C)n1 2282039128 QNCYLXQPHQDKJO-HOCLYGCPSA-N 462.400 2.389 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1COC(C)(C)CN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2282198222 YLZDUGAWGGHZKF-INIZCTEOSA-N 463.384 2.458 30 10 JEEE Cc1nc(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)s1 2282522586 MQDVXKZDVGZMKR-RRFJBIMHSA-N 481.424 2.145 30 10 JEEE Cn1ncc(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 2282523594 ADLFZUYYEGFXTH-UAGQMJEPSA-N 460.384 2.237 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@]2(CNC(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)C1 2282622608 IPGWJSVZPZETKM-NPMXOYFQSA-N 462.352 2.335 30 10 JEEE CC(C)(C)OC(=O)NCCO[C@@H]1CCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2282668780 KEWSLEPPJDBCLS-QGZVFWFLSA-N 461.368 2.137 30 10 JEEE Cc1ccc(NC(=O)[C@@H](CCC(N)=O)NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2284053762 SLSVWYCSOUYLIT-QGZVFWFLSA-N 461.368 2.392 30 10 JEEE C[C@@H](NC(=O)[C@]1(O)CCCN(C(=O)OC(C)(C)C)C1)c1nscc1B1OC(C)(C)C(C)(C)O1 2284065739 LBFRUPZHCBVHAQ-PEBXRYMYSA-N 481.424 2.382 30 10 JEEE COC1(CNC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2C)CN(C(=O)OC(C)(C)C)C1 2285214086 CUAKFAKJSJAKPY-UHFFFAOYSA-N 461.368 2.055 30 10 JEEE C[C@H](NS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1)[C@@H]1CCCN1C(=O)OC(C)(C)C 2286900201 FCVCFBAJLSOQBH-YJBOKZPZSA-N 481.424 2.447 30 10 JEEE Cn1nc(C(=O)N2C[C@@H]3C[C@@]3(CNC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2288253382 WSJLYQBPMXXWKN-WHEQGISXSA-N 480.802 2.360 30 10 JEEE COc1cc(OC)c(OC)cc1C=Nn1c(COc2ccccc2OC)nnc1SCC(N)=O 2328261353 QETPSCKLFZFZFJ-UHFFFAOYSA-N 487.538 2.351 30 10 JEEE COc1ccccc1OCc1nnc(SCC(N)=O)n1N=Cc1cc(OC)c(OC)c(OC)c1 2328261428 LGUNDEWEVCVGFZ-UHFFFAOYSA-N 487.538 2.351 30 10 JEEE CC(=O)NCc1nnc(SCC(=O)Nc2nccs2)n1N=Cc1ccc(F)cc1F 2330748000 IAUGGDWBOVLPMV-UHFFFAOYSA-N 451.484 2.262 30 10 JEEE Cc1c(C(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)nn1C 2359268101 UOKVLOQTDDJWDY-BZUAXINKSA-N 460.384 2.155 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2C[C@H](C)N(C(=O)OC(C)(C)C)C2)n1C 2362323446 DUQZFNMYKBWFBH-HOCLYGCPSA-N 462.400 2.403 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)n1C 2362338401 DYAYKTKKDCRKFK-ARFHVFGLSA-N 460.384 2.013 30 10 JEEE COc1ccc(Br)cc1/C=N/Nc1nnc(SCC(=O)NCc2ccco2)n1N 21320652 FAZIDOBKPGPEGB-ODCIPOBUSA-N 480.348 2.211 30 10 JEEE Cc1nn(-c2ccccc2)c(N(C)C)c1/C=N/Nc1nnc(SCCN2CCOCC2)[nH]1 253579266 ZKPSMFNJCTZRBD-PXLXIMEGSA-N 455.592 2.235 30 10 JEEE Cn1c(=O)c2c(nc(NN=Cc3cccc([N+](=O)[O-])c3)n2CCCc2ccccc2)n(C)c1=O 254405593 PGRVDONVJCEEBU-UHFFFAOYSA-N 461.482 2.421 30 10 JEEE CN(Cc1ccccc1B1OC(C)(C)C(C)(C)O1)S(=O)(=O)CCN1C(=O)c2ccccc2C1=O 704369349 YPJMJQHIVCBURD-UHFFFAOYSA-N 484.383 2.044 30 10 JEEE C#CCN(C(=O)c1cccc(NS(=O)(=O)c2cc(C)ccc2C)c1)[C@H]1CCS(=O)(=O)C1 729332049 UEBBNNFXSRUUHN-FQEVSTJZSA-N 460.577 2.367 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)N3CCN(Cc4ccsc4)CC3)cc2C1=O 918812325 LQGOOKBZGMRTSI-UHFFFAOYSA-N 453.520 2.031 30 10 JEEE C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)OCC(=O)N1CCC[C@H](C(F)(F)F)C1 919014344 QQNUDIHORWWTPJ-OYHNWAKOSA-N 479.455 2.496 30 10 JEEE CC(=O)c1cccc(S(=O)(=O)NCCC(=O)O[C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)c1 922222650 CDBKPTISHJXLQT-BISSLNBESA-N 477.583 2.420 30 10 JEEE COC(=O)c1ccc(C=NNc2nnc(SCC(=O)Nc3ccc(C)cc3F)n2N)cc1 1084167638 KQJVNIIROYUGCR-UHFFFAOYSA-N 457.491 2.403 30 10 JEEE Nn1c(NN=Cc2cc([N+](=O)[O-])ccc2O)nnc1SCC(=O)Nc1cccc(Cl)c1 1084445577 IPJKHHWICGCDIN-UHFFFAOYSA-N 462.879 2.436 30 10 JEEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCn3c(CCc4ccccc4)nnc3C2)c1 1153502763 VQZUDHUOCCOZBI-UHFFFAOYSA-N 451.552 2.184 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CC1(OCCOC)CCOCC1 1286289375 LBNQTAWFAGYCDG-KRWDZBQOSA-N 466.542 2.264 30 10 JEEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(C)(C)N1CCC(OC)CC1 1286366235 YSGOEDDNAQCZHH-UHFFFAOYSA-N 459.616 2.307 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CCc1ccccc1C)[C@H]1CCS(=O)(=O)C1 1286383046 VGZNBXUIGFVKQV-NRFANRHFSA-N 471.627 2.374 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@](C)(O)c1cccs1 1286401058 IKYGWVGRZAIESW-JOCHJYFZSA-N 454.577 2.391 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Cl)n2CC2([S@](C)=O)CC2)CC1 1286489532 WPZHGDGLACGKLX-HKBQPEDESA-N 460.003 2.475 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1scnc1C 1286546243 HUNDNOBCWWRPRV-ZOBUZTSGSA-N 454.622 2.271 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1286549209 WKOQEPSVGYWLAJ-WWNPGLIZSA-N 487.693 2.394 30 10 JEEE C=C(C)COCCn1c(Cn2ccc3ccccc32)nnc1N1CCO[C@H](CNC(C)=O)C1 1286611358 IJTZMGRYIACNHG-OAQYLSRUSA-N 452.559 2.215 30 10 JEEE C=CCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1286695963 OQQZRRYSIZXXQF-UHFFFAOYSA-N 488.955 2.170 30 10 JEEE C=CCCOCCn1c([C@@H]2CCCCO2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1286709898 HYUOHTDFZGFCSN-PUHATCMVSA-N 474.650 2.491 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCC(=O)N1CCOCC1 1286769150 NRKUXSKJIJZHKX-IBGZPJMESA-N 492.621 2.238 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCC(=O)N2CCOCC2)C1 1286797934 FCXWHEGGOPKUQL-OAQYLSRUSA-N 482.585 2.177 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(C)(C)CC1 1286815607 BPAYRTAUMPBRSX-UHFFFAOYSA-N 456.576 2.148 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)OC)CC1 1286815915 CHTDPWLLTPBQBL-UHFFFAOYSA-N 453.952 2.088 30 10 JEEE CCN(CC)[C@H](C)Cn1c(-c2cccn2C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1295369211 AXRXMZKIWPXMAF-MOPGFXCFSA-N 462.606 2.391 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@H](c1cccc(F)c1)N(C)C)[C@H]1CCS(=O)(=O)C1 1300486964 CLQLVOHHCABDBY-RBBKRZOGSA-N 484.601 2.352 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1CCCCCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1300488591 SXZZVFOVIZZPAW-OAQYLSRUSA-N 456.616 2.233 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCc1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1300490025 XPRHPUKZVOUWJH-LJQANCHMSA-N 469.567 2.428 30 10 JEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1C[C@@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1300499798 XDMXOJIYLXJKGF-RXVVDRJESA-N 450.992 2.310 30 10 JEEE C#CCN(CC#C)c1nnc(CSc2ccc(Cl)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1300547368 KVSOQIJSEBCCRR-KRWDZBQOSA-N 456.959 2.285 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccccc2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1300665758 PPWNMBUJPZQNGH-UHFFFAOYSA-N 450.543 2.286 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CC(F)(F)Br)CC1 1300707067 AZCMCEPZTZKBPX-UHFFFAOYSA-N 473.347 2.013 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CC(C)(C)N2CCCCC2)CC1 1300726532 PHBZERAWCKEYQR-NRFANRHFSA-N 456.635 2.402 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(CNC(C)=O)CC1 1300875347 OVKIEEXFNKMEGF-TZIWHRDSSA-N 467.574 2.259 30 10 JEEE C=C(C)COCCn1c([C@H]2CCCO2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1301001714 MKUKDDRRHHPWPY-KSEOMHKRSA-N 460.623 2.101 30 10 JEEE C=CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@H]1NC(=O)CC1(C)C 1301305752 NMCOALDCFAPWEL-NRFANRHFSA-N 451.619 2.180 30 10 JEEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 1301429279 PLJPXUMUSYIJEO-CQSZACIVSA-N 450.521 2.030 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCCN(c2ccccc2C#N)CC1 1301506367 JPPQPFNEXJPNJW-UHFFFAOYSA-N 456.554 2.154 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 1301586892 VFXRHINNBYYLBL-MJGOQNOKSA-N 489.573 2.068 30 10 JEEE CC[C@H](c1ccccc1)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCS(C)(=O)=O 1305673925 GYWQIOGRUPHACK-UYAOXDASSA-N 494.625 2.241 30 10 JEEE CCS(=O)(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCC(=O)N(C)C)CC1 1314504453 GWFIADATKONCDS-UHFFFAOYSA-N 458.588 2.089 30 10 JEEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C(C)C)N2CCOCC2)C[C@@H]1C 1316125975 AYWRPRLOTMWHTB-URXFXBBRSA-N 481.645 2.330 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1CCOCCS(C)(=O)=O 1358877593 HJPCBNXKVBDXFV-CQSZACIVSA-N 455.378 2.227 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@]1(O)CCO[C@H]1C 1358885101 CUUBMDWZOIAJPA-WOGXIUBCSA-N 450.543 2.063 30 10 JEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC#C)Cc1ccc(F)cc1 1358913230 IZQDYIIFJLDWMW-OAQYLSRUSA-N 473.574 2.193 30 10 JEEE C#CCN(C)c1nnc(-c2ccc(Br)s2)n1CCN1CCN(C(C)=O)CC1 1358942532 YRVNKKDWEKSFAT-UHFFFAOYSA-N 451.394 2.003 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2c(Cl)cccc2OC)CC1 1359043834 KVBRRTLNJSNOHI-UHFFFAOYSA-N 465.945 2.411 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)CC(C)(C)CN1CCOCC1 1359089104 BIKBAZNPLLSEEU-RTWAWAEBSA-N 474.650 2.290 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1359105217 LQKOJZVLRZBRCG-OFNKIYASSA-N 457.623 2.468 30 10 JEEE C=CCN(c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCOC[C@@H]1OC)C1CC1 1359248000 XBKRELUFUFFKLU-RXVVDRJESA-N 475.615 2.402 30 10 JEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(OCC)CCCC1)C1CC1 1359251412 KOSQJSIOWOSZOY-GOSISDBHSA-N 453.609 2.115 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CC(F)(F)CO1 1359255581 DBYXNXHLHZNIRN-YJBOKZPZSA-N 480.541 2.377 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCN(C(C)=O)C[C@H]1C 1359296075 WDSGUELVCWVAHI-QGZVFWFLSA-N 470.574 2.100 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCCN(c2nccs2)CC1 1359296558 MYWVVMGROHZATP-UHFFFAOYSA-N 483.598 2.438 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 1359302472 INFHKVDPRDFGMC-PKOBYXMFSA-N 494.600 2.168 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)NC(CC)CC)nnc1N1CC(=O)N(C)[C@H](C)C1 1359309357 PMMMHJHTEVTDQA-QGZVFWFLSA-N 454.575 2.477 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@]2(C)[C@@H](C1)C2(Cl)Cl 1359326548 CIZNZNZRPZIOHY-RDTXWAMCSA-N 476.430 2.135 30 10 JEEE C[C@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1Cc1ccnc(OCC(F)(F)F)c1 1359476515 GJSZICVIYZPZGQ-CQSZACIVSA-N 451.453 2.381 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@H](c1cccc(F)c1)N(C)C 1360677757 GTDZSUPVAXAYFV-OXQOHEQNSA-N 477.610 2.460 30 10 JEEE C=C[C@@H]1OCC[C@H]1CNC(=O)CS[C@H](C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 1451868810 MIUQQHMCLKOWKW-AOIWGVFYSA-N 458.584 2.252 30 10 JEEE Cc1nc(C#N)c(N2CCN(C(=O)CN3C[C@H](C)N(Cc4ccccc4)[C@@H](C)[C@@H]3C)CC2)o1 1460337952 AMOYGJUTQXTGNO-UFYCRDLUSA-N 450.587 2.487 30 10 JEEE CNC(=O)CCCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1503792225 CDTNJPPRDSJPLV-GOSISDBHSA-N 479.507 2.042 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1C[C@H]1CCCN1c1cc(NC)ncn1 1507514571 OKKWDVUOFQLHOM-SJLPKXTDSA-N 453.595 2.155 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1CCCc1c[nH]nc1C)[C@@H]1CCS(=O)(=O)C1 1507633316 CSGDFDMYXKMFSK-LJQANCHMSA-N 458.613 2.221 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H]2Cc3ccccc3O2)CC1 1507733769 LQSLDNBMXWYCJR-NRFANRHFSA-N 478.597 2.166 30 10 JEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)CC1 1507896517 KITKVHDWGXEUTP-BZSNNMDCSA-N 468.668 2.179 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C(C)(C)C)no1 1508022401 YHZFBAQVZYMEIE-KRWDZBQOSA-N 464.592 2.123 30 10 JEEE C=CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1508061625 UODWBZIRLLTNCH-LJQANCHMSA-N 475.638 2.225 30 10 JEEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@H]1CSC 1508072352 HTSYDRCEUGYJBC-INIZCTEOSA-N 477.660 2.181 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1508085800 JHGHZKWUGWXQOO-HXUWFJFHSA-N 452.603 2.468 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC(C)(NC(=O)OC(C)(C)C)CC2)nnc1[C@@]1(OCC)CCOC1 1508098004 MTDHCAPKRZTDAP-XMMPIXPASA-N 492.621 2.116 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCC[C@@H](CC(N)=O)C2)cc1 1508098215 YPNCAHVUSORKEU-IBGZPJMESA-N 452.559 2.219 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCN(Cc2cccc(Cl)c2)CC1 1508141078 SISWGSFZFIEMJG-UHFFFAOYSA-N 488.017 2.312 30 10 JEEE C=CCSCCn1c(COc2ccc(C)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1508168424 VJACUZATLOWSLM-UHFFFAOYSA-N 451.618 2.166 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)C[C@@H](C)C#N)n1CCc1nc(C(C)(C)C)cs1 1508410754 GABQRTMHMJSXGL-KBPBESRZSA-N 453.638 2.481 30 10 JEEE CCOC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1516086654 AZGYZEGUOCGLGU-UHFFFAOYSA-N 453.591 2.278 30 10 JEEE COc1cc(C(=O)N2CCN(c3snc(C)c3C#N)CC2)ccc1OCC(=O)NC(C)C 1527234193 CSVFRCJAXAWVPM-UHFFFAOYSA-N 457.556 2.198 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCc1cnn(C)c1 1538983482 SRUKJSGWMABABQ-KRWDZBQOSA-N 455.588 2.020 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCc2ccccc21 1539013890 KNCYGJGVFNBNAH-CUWPLCDZSA-N 457.600 2.189 30 10 JEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1CC1=CCCOC1)[C@H]1CCS(=O)(=O)C1 1539218609 BHZGJAKHUQLHHO-FQEVSTJZSA-N 460.987 2.496 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1ccc(F)cc1F)[C@H]1CCS(=O)(=O)C1 1539222210 UNNLFBMMVSQIBS-WMZOPIPTSA-N 450.511 2.125 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(N2CCSCC2)CCCCC1 1539296138 MPMGFWTXYWITGX-HXUWFJFHSA-N 492.715 2.103 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccccc1CN1CCC(O)CC1 1539338258 SUSZMARDOFMBDJ-AHWVRZQESA-N 491.636 2.470 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CC1CCN(Cc2cccs2)CC1 1539414248 SPJGETYUOKGHSR-HXUWFJFHSA-N 456.616 2.289 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2CC2CCN(CC(F)(F)F)CC2)CC1 1539430446 KAAGCKZAAOWNAT-GOSISDBHSA-N 472.556 2.032 30 10 JEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(c2ncc3n2CCCC3)CC1 1539497725 OVXYNTDPSCUUCF-QGZVFWFLSA-N 491.687 2.172 30 10 JEEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1539499018 BHFYNZOFCCUQDM-UHFFFAOYSA-N 478.600 2.128 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(C)CCO[C@@H]1C1CC1 1539668815 GOLWUVOERPRELX-NNMXDRDESA-N 467.636 2.219 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(OCc2ccccc2)CC1 1539705467 VFVDIMXDDDNMRS-NRFANRHFSA-N 475.615 2.373 30 10 JEEE C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1CCC(Nc2cc(OCC)ncn2)CC1 1539811628 FZCBMSHDPITKOC-UHFFFAOYSA-N 460.970 2.423 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2ccc(NC(C)=O)cc2)C1 1540881580 NAYGVGIFCPHKTG-OAQYLSRUSA-N 452.559 2.497 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(C)cc2C)C1 1540893012 VFVMUTVDIDGHJX-LEWJYISDSA-N 475.615 2.057 30 10 JEEE C[C@H]1CCCN1CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1544241550 DBGJNQIJNPEUPB-SFHVURJKSA-N 471.631 2.161 30 10 JEEE CN(C)[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1)c1ccco1 1552794089 CZDFHIMCLFVBDM-ICSRJNTNSA-N 484.582 2.248 30 10 JEEE N#Cc1c(F)cccc1S(=O)(=O)N1CCN([C@H]2CCCN(Cc3ccccc3)C2=O)CC1 1561561832 IEILPIDUJPVTOF-NRFANRHFSA-N 456.543 2.195 30 10 JEEE C=CC[C@]1(C(=O)N2CCC(NC(=O)N3CCOCC3)CC2)CCCN1C(=O)OC(C)(C)C 1570544354 XQTROHRBKOPQNJ-HSZRJFAPSA-N 450.580 2.365 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(Sc2ccccc2)CC1 1587638330 CYMFDNGHWYXTQD-HKUYNNGSSA-N 475.640 2.394 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCC1(O)CCC1)[C@H]1CCS(=O)(=O)C1 1588029773 LUTNOUQHNWFIAZ-MJGOQNOKSA-N 476.574 2.489 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H](C)SC)[C@H]1CCS(=O)(=O)C1 1588034780 LUSATGVFYFRMJT-OCCSQVGLSA-N 472.434 2.414 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1Cc1cccc(C(=O)NCC)c1)[C@@H]1CCS(=O)(=O)C1 1588064354 GUJMUVNSQUUQNW-OAQYLSRUSA-N 497.646 2.355 30 10 JEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@](C)(O)c1cc(C)oc1C 1588124416 KZVBDDQWNYTLDE-DEOSSOPVSA-N 480.594 2.429 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1snnc1C 1588550578 VDPXAESIZSABAH-MRXNPFEDSA-N 460.560 2.167 30 10 JEEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)c1cc(F)ccc1F 1589070122 QUXZVAYAKMSVAJ-KXBFYZLASA-N 499.609 2.453 30 10 JEEE C=C(C)COCCn1c(Cc2ccccc2F)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1593751995 BOBPRLHUNGFFHY-XMMPIXPASA-N 470.549 2.415 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](Cc2ccccc2)OC)CC1 1594097208 NQXUESAREYKRND-LEWJYISDSA-N 475.615 2.025 30 10 JEEE C=CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)CC(=O)N1CCOCC1 1594627248 SQPPFFNPYZXSKJ-UHFFFAOYSA-N 468.606 2.103 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CN2CCCC2=O)n1CC[C@@H]1COCCO1 1595100825 UQDWNZDGHNBGQT-OAQYLSRUSA-N 450.543 2.270 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1595506774 MGKKKTZCKUGDDE-HXUWFJFHSA-N 479.585 2.220 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCNC(=O)CC1 1595773041 NJIKEXPQZSCULZ-UHFFFAOYSA-N 485.566 2.044 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CC[C@H](C(=O)N(C)c2ccccc2)C1 1595811774 ADWRMBVAAFFTHI-IBGZPJMESA-N 457.600 2.321 30 10 JEEE C=C(C)C[C@@H](NC(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1)C(=O)OCC 1598350815 UHEQHFKRNJNDRQ-CQSZACIVSA-N 454.453 2.374 30 10 JEEE CC(C)NC(=O)c1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1C[C@@H]1CCCN1CCCO 1608341028 FJRUSIJFSMQNAL-QHCPKHFHSA-N 477.613 2.428 30 10 JEEE CC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)C(C)C)CCN1CCOC 1614215033 CXQFVLJVAVDRDL-OAQYLSRUSA-N 453.591 2.136 30 10 JEEE C#CCN(C(=O)c1cccc(-n2[nH]nnc2=N)c1)[C@H]1CCOc2ccc(Br)cc21 1617601506 SREKIFBIEOGCBO-KRWDZBQOSA-N 453.300 2.437 30 10 JEEE C=CC(C)(C)CC(=O)N(C)CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 1624974465 QXIMQEAINRPVKE-UHFFFAOYSA-N 457.980 2.360 30 10 JEEE C#C[C@@H](NC(=O)c1ccccc1NS(=O)(=O)c1ccc2nc(O)[nH]c2c1)C1CCOCC1 1640925709 PFQLXPFADFDWFE-QGZVFWFLSA-N 454.508 2.228 30 10 JEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCC[C@H](OC)C(F)(F)F)nnc12 1648717211 RMBDMLVYBQBIRE-AWEZNQCLSA-N 455.462 2.406 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1(O)CCN(C(C)C)CC1 1649538588 FHTMFQRJFVEEAH-SFHVURJKSA-N 487.674 2.240 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1ccc(OC(C)C)nc1)[C@H]1CCS(=O)(=O)C1 1689989333 DHMLXLIBWMSIQG-VQTJNVASSA-N 473.599 2.377 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CCCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1689991591 ADERTRKIDWNKNY-SFHVURJKSA-N 477.581 2.260 30 10 JEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCC(=O)NCc1ccccc1 1690013670 YGEJUBVHECLQKT-UHFFFAOYSA-N 489.605 2.018 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2Cc2nncn2CC)CC1 1690115312 ATGAQDKYEMPWFJ-UHFFFAOYSA-N 469.391 2.431 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H]2CCO[C@H]2C(=C)C)CC1 1690137107 NUFOOMOSWNEZOW-FPOVZHCZSA-N 470.618 2.144 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC(=O)NCc2ccco2)CC1 1690148717 REVGRRQGXDHRQQ-UHFFFAOYSA-N 494.983 2.398 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1OCCN(C)C 1690206757 YZLXOISHTVAZDB-HYBUGGRVSA-N 471.627 2.161 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N(CC)Cc1nc(O)c2ccccc2n1 1690670633 GERCRCBAIUDKLT-INIZCTEOSA-N 451.531 2.150 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 1690722406 IDPVUVOLNBMXFH-IBGZPJMESA-N 475.537 2.414 30 10 JEEE CC(C)(C)NC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(S(C)(=O)=O)CC1 1691210849 BVHSJPJQCJJHOQ-UHFFFAOYSA-N 488.614 2.047 30 10 JEEE CC(C)(CN1CCCC1)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)CC1 1691350541 FTPIQCBEXYODSD-UHFFFAOYSA-N 456.616 2.419 30 10 JEEE COCCN(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2nccnc2C)CC1 1698023669 ACJFXTFWSINRRI-UHFFFAOYSA-N 475.601 2.210 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1c(C)nn(C)c1C 1705495141 LGHPAXRZPOPIFI-DNVCBOLYSA-N 457.579 2.443 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2CCS(=O)(=O)C(C)(C)C)c1 1705505015 HHJFJJKNMHYUAP-UHFFFAOYSA-N 481.582 2.005 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc2c(c1)OCCCO2 1705631269 YTHKAUAMSXSVBX-UGKGYDQZSA-N 456.543 2.298 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C2CCN(c3ncccn3)CC2)n1CCC(=O)NCCC 1705674813 ROZWZJWOBNTRGM-XMMPIXPASA-N 450.591 2.361 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1705898598 QWSFZJJWJQGQCW-JOCHJYFZSA-N 495.584 2.355 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCC2(CCOCC2)C1 1705937004 FELLSTSRULLJCR-UHFFFAOYSA-N 451.618 2.242 30 10 JEEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1705942984 KQTHMRAWRQZLBE-LJQANCHMSA-N 470.647 2.177 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OCC)CCOC3)n2CCn2cc(C)cn2)c1 1722304739 FHZXBCJVGBGBTJ-VWLOTQADSA-N 477.569 2.192 30 10 JEEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H](C(C)C)N1CCOCC1 1722357465 DTJCJMLMRBHLLS-ZCNNSNEGSA-N 460.623 2.475 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccc(N2CCOC2=O)cc1)[C@@H]1CCS(=O)(=O)C1 1722359347 RZLSOJUGLKJZNS-LJQANCHMSA-N 471.583 2.207 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@H](C)c1nc(C)cs1)[C@@H]1CCS(=O)(=O)C1 1722370397 BTRRDEQMNOQFLW-DNVCBOLYSA-N 487.655 2.335 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CC1(c2ccccc2)CCOCC1 1722419190 REYLJGJYXATCEV-UHFFFAOYSA-N 451.571 2.349 30 10 JEEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 1722527563 NWGXQRQZPDSCNO-UHFFFAOYSA-N 458.563 2.309 30 10 JEEE C=CCN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1)C1CC1 1722644328 WRSATQRMDAHROC-QGZVFWFLSA-N 493.033 2.298 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCCN1CCC)C1CC1 1722650606 GSSCFQBHBCOEKJ-PMACEKPBSA-N 466.652 2.030 30 10 JEEE C=CCN(Cc1cccs1)c1nnc(CN2CCCC2=O)n1Cc1ccc(C(N)=O)nc1 1722661982 DQJFYBYBBZFMOZ-UHFFFAOYSA-N 451.556 2.197 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN([C@@H](C)c2nc(CC)no2)CC1 1722699749 NCGQIUDTESHOQI-KRWDZBQOSA-N 482.564 2.139 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CCNC(=O)C(C)C)C1 1722710478 JMUHUEPDNFTGIV-SFHVURJKSA-N 489.646 2.100 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cccc(Cl)c2)C1 1722717948 FOVVCWMUTIJNKY-MOPGFXCFSA-N 482.006 2.094 30 10 JEEE COCC1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1730500100 FUBYMLGBNRKYNZ-HXUWFJFHSA-N 472.615 2.494 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1CCS(=O)(=O)CC1CC1 1740537386 UKXVYZBAMBXBQW-CYBMUJFWSA-N 454.394 2.329 30 10 JEEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(c2ncccn2)CC1 1740566221 QKSGCIDPBCMFSY-UHFFFAOYSA-N 494.625 2.116 30 10 JEEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H](C)N1CCN(c2ccccc2)CC1 1740601055 WDIHZACCXYLHTC-PXDATVDWSA-N 452.603 2.210 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CC(C)(C)COC)[C@H]1CCS(=O)(=O)C1 1740619902 RKLZBOYLBUMIHU-HNNXBMFYSA-N 484.420 2.335 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1c(Cl)cccc1OC)[C@H]1CCS(=O)(=O)C1 1740626214 KKBRQJKLOHKKBT-CVEARBPZSA-N 464.975 2.119 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN(C)CC(F)(F)F 1740677166 QPIVXIBGBMFXJN-QGZVFWFLSA-N 487.523 2.453 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2CCCN2CCCO[C@H](C)C2)CC1 1740697253 XNLCILFIDRLTDB-HSZRJFAPSA-N 450.631 2.433 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2CC2(C(N)=O)CCCC2)CC1 1740707551 GZGUFMYOKHZHLO-UHFFFAOYSA-N 482.560 2.008 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1740987979 PTODEXTZPRXNQK-HXUWFJFHSA-N 489.642 2.103 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](c2ccccc2F)C1 1740995341 IRYBDMOTZXPBDJ-WMQCIHAUSA-N 494.589 2.320 30 10 JEEE C[C@@H]([C@@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H](C)CN1CCOCC1)S(C)(=O)=O 1741875962 AVJCZVAHQXNEDO-QRVBRYPASA-N 474.631 2.043 30 10 JEEE CNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(Cc2cscn2)CC1 1748077363 AAIWCYUIQFQYAI-UHFFFAOYSA-N 464.599 2.368 30 10 JEEE CO[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(c2ccccc2C#N)CC1)C(C)C 1748415487 AMJCUZKAMMFZQD-RXVVDRJESA-N 489.646 2.148 30 10 JEEE C#CCN(c1nnc(-c2cc(-c3ccccc3)on2)n1CCC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1748815477 QNWSEIBROCUZBE-SFHVURJKSA-N 469.567 2.388 30 10 JEEE C#CCN(c1nnc(CCOc2ccccc2)n1C[C@@H]1CCOC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1748820554 DQZGTTBLVFXTEA-PCCBWWKXSA-N 472.611 2.199 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCc1nnc(C)s1 1748859547 USXPADJHAKPFLK-SFHVURJKSA-N 485.614 2.452 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H](C)N1CCC[C@H](C)C1 1748957133 WBTVKGKLGPSNAC-VQTJNVASSA-N 463.590 2.127 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC[C@](C)(O)c2ccccc2)CC1 1748979279 XFRAQQVZUJBMQT-IZZNHLLZSA-N 467.614 2.372 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H](C)Oc2ccccc2)CC1 1749003187 AQWKYNBJLWEMGM-FQRUVTKNSA-N 481.597 2.364 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2cccc(C(=O)N[C@@H](C)CC)c2)CC1 1749010607 TZVFQTCKPVBALY-WMZHIEFXSA-N 492.624 2.324 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2Cc2cccc(NC(C)=O)c2)CC1 1749011014 XZIYDGSVWJXGDY-NRFANRHFSA-N 464.570 2.145 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@]2(O)CCC[C@H]2C)CC1 1749019276 RFTGXJZHRHVFJD-BCHFMIIMSA-N 481.597 2.383 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(S(C)(=O)=O)CC1 1749121573 NSLVJJKHOZAUFQ-PBHICJAKSA-N 499.435 2.099 30 10 JEEE C=C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1749286921 VHCJTRNIUFOQPD-KRWDZBQOSA-N 463.991 2.453 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1CCOCC1 1749368780 QAWUNYYXEBNGEP-GOSISDBHSA-N 455.625 2.076 30 10 JEEE C=CCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H]2[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1749617898 YBKMXFSYDYFGAU-OWCLPIDISA-N 495.005 2.306 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](CNC(=O)Nc2ccc(C)cc2)C1 1749650364 UHUDOFLCZAAQHG-LJQANCHMSA-N 496.616 2.065 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(Cn2cccn2)CC1 1749678226 ZSTZAVSDKQUCTC-UHFFFAOYSA-N 460.542 2.144 30 10 JEEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@H]([C@H]3CCOC3)C2)cc1 1749683456 UFPHASQVZHYQFG-IHPCNDPISA-N 475.615 2.364 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCN(CC(F)F)CC2)cc1 1749686271 SGBJYIKYNABNBR-GOSISDBHSA-N 481.569 2.180 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCN2CCCS2(=O)=O)C1 1749719437 VJATXOJSGUXQGH-NRFANRHFSA-N 475.615 2.291 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(C2CCC2)n1CCC(=O)N1CCOCC1 1749806011 DUSIGQMWGYSSDG-UHFFFAOYSA-N 452.559 2.319 30 10 JEEE CC(=O)NC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCc2csc(C)n2)CCO1 1750021283 BAYRTIHBDOGXHS-NRFANRHFSA-N 481.582 2.078 30 10 JEEE CC(C)OC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCS(=O)(=O)C2)CCO1 1751036674 BNESNOPPAYWGEU-CTNGQTDRSA-N 473.599 2.272 30 10 JEEE C#CCCCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1760133958 VPJZORGVBNUDEG-UHFFFAOYSA-N 494.596 2.083 30 10 JEEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1760141414 ULUVYKJEYMGPTF-HXUWFJFHSA-N 463.590 2.341 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCOc1ncccc1Cl)[C@@H]1CCS(=O)(=O)C1 1760188424 KOKHJIGMQBFATC-OAHLLOKOSA-N 460.947 2.027 30 10 JEEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCCC(=O)N(C)C 1760205879 LXZWBJUFOALSGF-UHFFFAOYSA-N 456.591 2.334 30 10 JEEE C#CCSCCn1c([C@@H](C)CC)nnc1N1CCN(c2cc(N3CCOCC3)ncn2)CC1 1760274318 INXGFHPOBUVYIK-IBGZPJMESA-N 470.647 2.111 30 10 JEEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1760422266 KEQAYPPVHLTTCG-MAUKXSAKSA-N 450.613 2.294 30 10 JEEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCCn1cc(Br)cn1 1760464968 SUKCQWVMPSLULE-AWEZNQCLSA-N 457.398 2.242 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC(CN(C)C(=O)OC(C)(C)C)CC1 1760522047 KPVPWDOPDDTCIR-SFHVURJKSA-N 462.595 2.168 30 10 JEEE CC(C)OC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCN(C)C(C)(C)C2)CCO1 1761303686 HFRCKMBSXXUXKK-HSZRJFAPSA-N 481.645 2.473 30 10 JEEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC[C@H](C)N2CCCCC2)CCO1 1767712196 GPIQRDHUFSRSNC-RXVVDRJESA-N 451.575 2.032 30 10 JEEE COc1ccccc1OCc1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@H]1CCCN1S(C)(=O)=O 1770511539 FVFUPODIQFLTJK-JPYJTQIMSA-N 488.614 2.420 30 10 JEEE COCCN(C)S(=O)(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCC2CC2)C1 1771085600 DXYAYBDMQLTYCZ-OAQYLSRUSA-N 472.615 2.494 30 10 JEEE COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CCNC(C)=O)cc1OC 1862633175 HHYGBOITNCJVPU-OAQYLSRUSA-N 468.462 2.147 30 10 JEEE O=C(NCCCCN1CCCC1)[C@@H](Cc1ccc(F)cc1)N=C1NS(=O)(=O)c2ccccc21 1869934094 YSKDUGFKYCXPSP-OAQYLSRUSA-N 472.586 2.468 30 10 JEEE CCN(CC)CCNC(=O)c1ccc(-n2nnc(C#N)c2NC(=O)COCc2ccccc2)cc1 1870158431 WPWFQOTVIGBJMD-UHFFFAOYSA-N 475.553 2.366 30 10 JEEE C=CCn1cc(OCC(=O)NCc2ccccc2OC)c(=O)cc1CN1CCC(N(C)C)CC1 1870641258 UOEFSZVEIJFBOE-UHFFFAOYSA-N 468.598 2.264 30 10 JEEE C=CCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2cccc(N(C)C)c2)[nH]1 1871618864 NBMIMNOGUMLUBF-UHFFFAOYSA-N 460.586 2.458 30 10 JEEE CC(C)N1C[C@@H](c2nnc(SCC(N)=O)n2/N=C/c2ccc(Br)cc2)CC1=O 1874337935 LSXIBWYJWZZPLA-OOMAIKSQSA-N 465.377 2.225 30 10 JEEE C[C@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2256618114 OPKVGGSTIWRECF-HEHGZKQESA-N 454.398 2.499 30 10 JEEE CCc1nn(C)c(C(=O)N[C@@H]2CCN(C(=O)OCc3ccccc3)C2)c1B1OC(C)(C)C(C)(C)O1 2267506552 ZLYXKUIYIBTMBC-GOSISDBHSA-N 482.390 2.423 30 10 JEEE CC1(C)OB(c2cscc2S(=O)(=O)N2CCC[C@@H](NC(=O)C(F)(F)F)CC2)OC1(C)C 2270596166 AEULKEXEBMZDFN-GFCCVEGCSA-N 482.355 2.269 30 10 JEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](COc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)[C@H]1OC 2280558405 WTVXQGXCMLLJOZ-YQVWRLOYSA-N 464.368 2.409 30 10 JEEE Cn1ncc(CNC(=O)OC(C)(C)C)c1NC(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1 2281803458 XHRALOWEFMDRGV-UHFFFAOYSA-N 457.340 2.391 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)O)N(C(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)C1 2281831009 SZDLYOGYIUVAQO-LSDHHAIUSA-N 464.324 2.161 30 10 JEEE Cn1ncc(C(=O)N2CC([C@@H]3CCN(C(=O)OC(C)(C)C)C3)C2)c1B1OC(C)(C)C(C)(C)O1 2281833041 VTOHHQJKRHBJOK-OAHLLOKOSA-N 460.384 2.048 30 10 JEEE CC(C)(C)OC(=O)NCCOCCCNS(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2282349941 FXAAIFPJRUTZQQ-UHFFFAOYSA-N 484.424 2.196 30 10 JEEE Cn1ncc(C(=O)NC[C@@H]2C[C@@H]3[C@@H]2CCN3C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2282540443 KCQNLIDYKNUNPQ-ZMSDIMECSA-N 460.384 2.095 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2282591030 KFFBCFDFHCPQKO-YQQAZPJKSA-N 460.384 2.187 30 10 JEEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1(CNC(=O)OC(C)(C)C)CCCCC1 2282695120 LALJADTVNGNYCE-UHFFFAOYSA-N 463.388 2.072 30 10 JEEE CC1(C)OB(c2scnc2CS(=O)(=O)N2C[C@H]3C[C@H]2CN(Cc2ccccc2)C3)OC1(C)C 2282833204 VJBDQJBFDGWXJY-OALUTQOASA-N 489.472 2.478 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CC2(CC2)C1 2283070404 VWUSETMFOVDHSG-HNNXBMFYSA-N 458.368 2.295 30 10 JEEE COCC[C@]1(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)CCCN1C(=O)OC(C)(C)C 2284052162 CUEVSUADPDEXRX-NRFANRHFSA-N 482.412 2.004 30 10 JEEE Cc1cnc(C(=O)N2CCC[C@H](NC(=O)C(F)(F)F)CC2)c(B2OC(C)(C)C(C)(C)O2)c1 2286119626 GCZJQEGZFJKNCY-AWEZNQCLSA-N 455.286 2.362 30 10 JEEE Cc1c(C(=O)N2C[C@H]3C[C@]3(CNC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2288252964 SGBSEHPZRGAGIE-CMJOXMDJSA-N 460.384 2.015 30 10 JEEE Cc1c(C(=O)N2C[C@H]3C[C@@]3(CNC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2288252965 SGBSEHPZRGAGIE-IQMFZBJNSA-N 460.384 2.015 30 10 JEEE COC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(OC)c(B2OC(C)(C)C(C)(C)O2)c1 2296181160 WZQGNFJMBJQQNP-QGZVFWFLSA-N 464.368 2.150 30 10 JEEE CC(=O)NCc1nnc(SCC(=O)NCc2ccco2)n1N=Cc1cn(C)c2ccccc12 2330749769 DFUQSOSTCYDDCB-UHFFFAOYSA-N 465.539 2.290 30 10 JEEE C=C(C)CN(CC)C(=O)COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Br 11623333 OXFKLHIYXNBRIN-UHFFFAOYSA-N 489.388 2.051 30 10 JEEE CC(C)CCOc1ccccc1C(=O)NC(=S)Nc1ccc(S(=O)(=O)N=C(N)N)cc1 14034172 JVKRQAWYIJDJRY-UHFFFAOYSA-N 463.585 2.200 30 10 JEEE C=CCc1cc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc(OC)c1OC 16203651 BFHIFNHCIUIZHI-UHFFFAOYSA-N 455.536 2.451 30 10 JEEE C=CCn1cc(/C=N/Nc2nc(SCC(=O)Nc3nnc(SCC)s3)n[nH]2)cn1 59831961 FBMPSRNAXKANFE-OMCISZLKSA-N 450.579 2.328 30 10 JEEE COc1cc(/C=c2/s/c(=C(/C#N)C(=O)N3CCCC3)n(-c3ccccc3)c2=O)cc(OC)c1OC 96793268 BVKKWSLFOPKYSJ-WSZSTFCWSA-N 491.569 2.050 30 10 JEEE C[C@H]1CCc2c(sc(NC(=O)C[S@@](=O)CC(=O)Nc3ccccc3C(N)=O)c2C#N)C1 586341554 BSLAKCZBJCJFSM-ICNDJQDOSA-N 458.565 2.169 30 10 JEEE CC1(C)Cc2cc(C=c3sc(=C(C#N)C(=O)NC4CC4)n(Cc4ccccc4)c3=O)ccc2O1 609219991 RTNZGGHMAHAVBO-UHFFFAOYSA-N 471.582 2.453 30 10 JEEE C#CCN(C(=O)c1ccc(S(=O)(=O)N(CC)c2ccccc2)cc1)[C@H]1CCS(=O)(=O)C1 729330941 IQONCRRJATWBAP-FQEVSTJZSA-N 460.577 2.164 30 10 JEEE COc1cccc(NC(=O)C(C#N)=c2sc(=Cc3cnn4ccccc34)c(=O)n2CC(C)C)c1 729672096 WWITYIMVBLZHLQ-UHFFFAOYSA-N 473.558 2.364 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1CCc1ccn(C)n1)[C@@H]1CCS(=O)(=O)C1 1286383649 DNQYCLFTUYYHIC-PKOBYXMFSA-N 486.573 2.160 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@H]1CCN(CCC)C1)[C@H]1CCS(=O)(=O)C1 1286390705 FERHAKOYHDROEK-PMACEKPBSA-N 461.657 2.289 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)cn3C)n2CC[C@@H]2CCOC2)CC1 1286488874 WUBCQBNXVHSWHX-MRXNPFEDSA-N 489.418 2.439 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(OC)c2)nnc1N(C)CC(=O)N1CCOCC1 1286554207 SWKQZQBXUXATKQ-UGKGYDQZSA-N 455.559 2.230 30 10 JEEE C=CC1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCCn2ccnn2)CC1 1286654355 HEOQQCONOIUHRA-UHFFFAOYSA-N 470.603 2.280 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCOC2(CCCCCC2)C1 1286781603 VFQYHNAQRTVGNN-UHFFFAOYSA-N 453.547 2.157 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1286814696 DSSKXHROXRVQTA-MRXNPFEDSA-N 460.478 2.322 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc(Cc2cn3ccccc3n2)n1CC1CCN(CCN(C)C)CC1 1286967528 HPPQBAQXNZDTNE-FQEVSTJZSA-N 463.634 2.386 30 10 JEEE CC(C)OC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1288344389 FYPVUZPTSXZHJG-IBGZPJMESA-N 472.615 2.492 30 10 JEEE C[C@@H](CN1CCOCC1)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1288704869 GKKHDQPUFZBXPL-SIKLNZKXSA-N 486.642 2.189 30 10 JEEE C#CCCCn1c(N2C[C@@H]3[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]3C2)nnc1C(C)(C)C 1300424463 IAYHFTYVAMJJGJ-ZACQAIPSSA-N 465.620 2.116 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1Cc1cccnc1OCC)[C@H]1CCS(=O)(=O)C1 1300484448 SGOIVPMVCHWYKQ-FQEVSTJZSA-N 481.578 2.422 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC1(S(C)(=O)=O)CCCC1 1300512361 WVTKZIMIHRIQOY-UHFFFAOYSA-N 486.594 2.401 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2COc3ccccc3O2)n1CC1(S(C)(=O)=O)CCC1 1300578096 HNSFUOKPCRHVJW-FQEVSTJZSA-N 454.552 2.221 30 10 JEEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1CCn1cc([C@H]2CCOC2)cn1 1300635620 SQMKDAJGAAWNHI-KRWDZBQOSA-N 453.572 2.130 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(OC)cc2)n1C[C@H](N1CCOCC1)C(F)(F)F 1300655111 OQFXCISAVDRIEX-IBGZPJMESA-N 467.492 2.303 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCNC(=O)c2occc2C)CC1 1300688673 IOJFEIOLEAVTLY-UHFFFAOYSA-N 477.525 2.330 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@](C)(O)C(C)C)CC1 1300731291 NCHGWCWJOQVKQO-VWLOTQADSA-N 464.570 2.102 30 10 JEEE C#CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC(CC(N)=O)CC1 1300732545 BSHFIDJLQVNYNL-UHFFFAOYSA-N 475.018 2.320 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1300895329 PRMFEONPRNRCSZ-XGXHKTLJSA-N 470.636 2.241 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCOc2ccc(F)c(F)c2)CC1 1301124137 GHYRKZDVXFSGHO-HXUWFJFHSA-N 497.568 2.371 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCC[C@H](C(=O)OC)C1 1301492341 FTEITMGIEBNBKY-HNNXBMFYSA-N 492.374 2.408 30 10 JEEE C=CCNC(=O)Cn1c(N2CCO[C@@H](c3ccc(F)cc3F)C2)nnc1[C@@]1(OC(C)C)CCOC1 1301520832 QJHDCBHBLDIINP-HYBUGGRVSA-N 491.539 2.477 30 10 JEEE C=CCOc1ccccc1Cn1c(Cc2ccccn2)nnc1N1CCO[C@H](CNC(C)=O)C1 1301531248 GWZYXDBPCHUSRC-JOCHJYFZSA-N 462.554 2.218 30 10 JEEE C[C@H](CN1CCOCC1)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(C#N)CC1 1303754218 GSIDEZOILKDZLW-GOSISDBHSA-N 472.615 2.057 30 10 JEEE CC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NC(=O)COC)CC1)N1CCCC1 1305812501 BCOJUAHVCCWLFI-QFIPXVFZSA-N 465.602 2.423 30 10 JEEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](c2ccco2)N(C)C)C[C@H]1OC 1316332881 HULTUTDHGOJIOV-FCEUIQTBSA-N 466.542 2.475 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1358882198 VETSQNLQSXSGMV-CQLPTELBSA-N 464.526 2.337 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1ccc(N(C)C)cc1C)[C@@H]1CCS(=O)(=O)C1 1358962810 XPMKHEVGUVABRN-RBBKRZOGSA-N 471.627 2.222 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCS(=O)(=O)NC(C)C 1358976383 CBGNDWWRKDRJLL-UHFFFAOYSA-N 452.540 2.001 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCCCS1(=O)=O 1358986664 CSKMLBLUOQZLTD-INIZCTEOSA-N 464.389 2.466 30 10 JEEE C#CCN(CC#CC)c1nnc(CCOc2ccccc2)n1Cc1ccc(-n2cncn2)nc1 1358996727 PGYBCFQVZCAQFX-UHFFFAOYSA-N 452.522 2.387 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCCOc2ccc(C)cc2)CC1 1359031171 RXRVGSYYPUJMAF-VWLOTQADSA-N 453.587 2.463 30 10 JEEE C#CCN1CCN(c2nnc(COCC)n2C[C@@H](c2cccc(OC)c2)N2CCCC2)CC1 1359039872 ZMGGGWRTIZHHDI-QHCPKHFHSA-N 452.603 2.416 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCCn2cccn2)CC1 1359042168 VDKGDFKRHPNZHL-UHFFFAOYSA-N 477.569 2.215 30 10 JEEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 1359054555 ZABQAVWQOZKYSQ-IBGZPJMESA-N 476.672 2.481 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCCCO2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1359133102 LRXNAHMHDWPKHN-NRFANRHFSA-N 460.623 2.247 30 10 JEEE C=C1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1359161116 QCVWJDJESKPWGD-KRWDZBQOSA-N 491.614 2.409 30 10 JEEE C=CCC(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1359190923 IGYUSGUOESIPKZ-INIZCTEOSA-N 457.604 2.428 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC=CCC1 1359331119 NYGIQXVDNWXSQF-UHFFFAOYSA-N 454.556 2.042 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1359333683 GSBOTNZAUTXMNC-SFHVURJKSA-N 494.524 2.017 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@](C)(O)c1ccco1 1507662301 IHGSTMWSVBYAGY-XMMPIXPASA-N 481.578 2.159 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)c1ccc(OC)cc1 1507711665 XWVDAGKMMIJVPR-GOSISDBHSA-N 460.600 2.253 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](CC)OC 1507711752 YYUWTCKUZDGALI-ROUUACIJSA-N 451.568 2.098 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC(=O)NCCc2ccccc2)CC1 1507718930 WWGNGJKMHSJWAP-UHFFFAOYSA-N 496.413 2.150 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H](C)CN2CCCC2)CC1 1507722678 DZWMYDLVEIUGQM-HXUWFJFHSA-N 452.603 2.449 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2Cc2ccc(C[S@@](C)=O)cc2)CC1 1507739798 KRRJMHVUZXAQLW-JGCGQSQUSA-N 453.612 2.123 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)OCCOC)n1CCCN1C(=O)NC2(CCCC2)C1=O 1507764044 IWNJZVIJPKQHPZ-WZONZLPQSA-N 472.590 2.249 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OCC=C)cc1 1507772456 LDVGFVZXKSZKJJ-XUZZJYLKSA-N 485.610 2.216 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(Cc2cc(C)no2)CC1 1507824566 DEXUAOZYRDGXTQ-UHFFFAOYSA-N 485.614 2.390 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCCN2CCN(CC)CC2)CC1 1507903991 WCSYLSBCHBPFGG-OAQYLSRUSA-N 464.680 2.000 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1508095054 RTYOEBWXBGATCW-SFHVURJKSA-N 480.548 2.194 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCS(=O)(=O)CC)C1 1508126314 HIAPZNOKZVFHSR-KSZLIROESA-N 483.635 2.265 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1508147964 DLKBLZBVXDTQFL-QRTHJKPMSA-N 464.563 2.194 30 10 JEEE CN(C)S(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(n2cc(Cl)cn2)CC1 1517022370 IDISISRNRSTIGK-UHFFFAOYSA-N 489.005 2.400 30 10 JEEE CNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1517429906 HFXCNKNULQYWDR-QGZVFWFLSA-N 452.559 2.363 30 10 JEEE N#Cc1ccc(-c2nnc(N3CCC(O)(C(F)(F)F)CC3)n2CCCN2CCOCC2)cc1 1521089442 DKAYJDWRMNJVOU-UHFFFAOYSA-N 464.492 2.433 30 10 JEEE C#CCCCCn1c([C@H]2CCCO2)nnc1N1C[C@@H]2[C@H](C1)[C@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1539085573 NEGJHEHNSHNUPY-NCXUSEDFSA-N 493.630 2.060 30 10 JEEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H](CC)NC(=O)OC(C)(C)C 1539162529 UJBDDKGXHYFIDY-KRWDZBQOSA-N 451.535 2.294 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H](C1CCCCC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1539215925 LPHDCTWIWKQGMW-FPOVZHCZSA-N 458.632 2.410 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCc1ccc(Br)cc1)[C@@H]1CCS(=O)(=O)C1 1539220271 HUUAFVHFPCOKNQ-IEBWSBKVSA-N 493.427 2.414 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2CC2CC3(CCOCC3)C2)CC1 1539470031 XKOVZMWXXACOHX-IBGZPJMESA-N 473.618 2.175 30 10 JEEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(c2cccnn2)CC1 1539706309 GFAKESLQIHKLTP-GOSISDBHSA-N 470.578 2.279 30 10 JEEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(OCCOC)CCOCC1 1540076853 BQVFCBCFKJARQC-IBGZPJMESA-N 495.621 2.421 30 10 JEEE C=CCN(CC=C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCN1CCOC[C@@H]1C 1540154489 YNDLQKHDQBJLRC-SFHVURJKSA-N 473.647 2.446 30 10 JEEE CN(CCN1CCOC(C)(C)C1)c1nnc(COc2ccc(C#N)cc2)n1CCc1ccn(C)n1 1554300369 GKABESYMFLGCRE-UHFFFAOYSA-N 478.601 2.252 30 10 JEEE C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)S(=O)(=O)c1cc(Br)ccc1C#N 1561219902 BVXWRIJNXMCSRN-LLVKDONJSA-N 458.359 2.350 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](C)CS(=O)(=O)c2ccc(C)cc2)s1 1567794142 UFKLQUVRRVFNBX-HNNXBMFYSA-N 456.611 2.042 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OCC)CCOC3)n2Cc2cnccc2OC)c1 1587689988 VVAGTSOOOPUZTF-AREMUKBSSA-N 490.564 2.438 30 10 JEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CC(=O)NCc1ccco1)[C@H]1CCS(=O)(=O)C1 1588035583 VRGWOKVUJDQHRY-SFHVURJKSA-N 487.969 2.135 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1CC1CCN(c2ccncc2)CC1)[C@H]1CCS(=O)(=O)C1 1588059577 QKZFUTCYTAQJOH-QFIPXVFZSA-N 470.643 2.415 30 10 JEEE C#CCN(c1nnc(CCCc2ccccc2)n1CC1([S@@](C)=O)CCC1)[C@H]1CCS(=O)(=O)C1 1588069359 MFSUYJMPHUSACD-GFJKYASSSA-N 488.679 2.381 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2cccc(Cn3cccn3)c2)CC1 1588733581 WFQDYCGZEGDZBY-UHFFFAOYSA-N 474.613 2.245 30 10 JEEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1593689643 BWBSZKUNALENHA-UHFFFAOYSA-N 455.538 2.346 30 10 JEEE C=C(Cl)Cn1c(N2CCN(c3ncc(F)cn3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1593932574 KQGFLBWPTBFAHM-HXUWFJFHSA-N 451.934 2.327 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1594491607 GEELQWAYAKIHPY-QGZVFWFLSA-N 452.625 2.130 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1595477804 ZTVSPDRUWSTXNZ-ZWKOTPCHSA-N 470.549 2.451 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(C)[C@H](C)c1cccc(N2CCOC2=O)c1 1595784961 OZICEVOECDWNJR-QGZVFWFLSA-N 499.597 2.433 30 10 JEEE COc1cc(OC)cc(N2CC[C@@H](CNC(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)C2)c1 1596020594 DYQUDJNAWUZMND-IBGZPJMESA-N 457.552 2.133 30 10 JEEE C[C@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1CCN(C)C(=O)OC(C)(C)C 1612877318 HPWQEJYCQCZGLJ-INIZCTEOSA-N 453.547 2.351 30 10 JEEE C[C@H]1OCC[C@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1613025697 GKAUFCQDPVAHNM-QRQCRPRQSA-N 492.502 2.252 30 10 JEEE CCNC(=O)C(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(N(C)C(C)=O)CC1 1615916777 FSEMLOFPPZCDLF-UHFFFAOYSA-N 481.601 2.338 30 10 JEEE COc1cccc(-c2nnc(N3CCN(c4cc(C#N)ccn4)CC3)n2CCNC(=O)C(C)C)c1 1619352436 BOAOVPBAFHUVJQ-UHFFFAOYSA-N 474.569 2.319 30 10 JEEE COCC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2c(C)noc2C)CC1 1619553102 CRDFSEZXPUIFES-UHFFFAOYSA-N 463.542 2.396 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@H](OCC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)C1 1633661964 BPELWIPGZQOXCZ-IKGGRYGDSA-N 452.552 2.278 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2noc3c2COCC3)n1CCCN1CCC[C@H]1C(=O)N(C)C 1649541887 IZUKPFKOFCXVKN-IBGZPJMESA-N 471.606 2.351 30 10 JEEE C=C(C)CN(Cc1ccc(CO)o1)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1 1655467585 QJGCSGGTRAVXTK-UHFFFAOYSA-N 451.501 2.284 30 10 JEEE C#CCN(CC(=O)NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S)C(C)(C)C 1655636814 GOGQUUJLGQQFEP-LDADJPATSA-N 459.593 2.466 30 10 JEEE COC(=O)[C@H](c1cccc(C#N)c1)N1CCC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2=O)C1 1658326581 HFHCYDWQXOYVQQ-CTNGQTDRSA-N 456.543 2.316 30 10 JEEE N#Cc1ncccc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 1661480736 HCIHNJJNGWBLPC-GFCCVEGCSA-N 450.318 2.150 30 10 JEEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCOC[C@H]2c2noc(-c3ccccc3)n2)c1 1668530677 DCIILPOYTDUZRR-IBGZPJMESA-N 454.508 2.415 30 10 JEEE C#CCN(C(=O)NCc1ccc(-c2nncnn2)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 1683564768 IGVABSKIQUZZLK-UHFFFAOYSA-N 451.531 2.478 30 10 JEEE C#CCCN(CCOC)C(=O)NC1CCN(C(=O)CCCN(C)C(=O)OC(C)(C)C)CC1 1684006614 CJFDXYPPDHHSQG-UHFFFAOYSA-N 452.596 2.306 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCN1CCOC(C)(C)C1 1689847601 CQUGAPZRBWBYHF-SFHVURJKSA-N 463.586 2.244 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(=O)NCCc1ccccc1 1689851044 LCQGZIOKPOCYAG-HXUWFJFHSA-N 472.597 2.269 30 10 JEEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CCNC(=O)Cc1cccc(F)c1 1689861288 SCZZCJJWWGDSGE-INIZCTEOSA-N 468.558 2.226 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H]1N(C)CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1689990063 LFMSAUUGUJEYSW-AABGKKOBSA-N 463.648 2.267 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1Cc1ccc(C(=O)NCC)cc1)[C@H]1CCS(=O)(=O)C1 1689993573 HDHDGURLTINGNF-NRFANRHFSA-N 497.646 2.355 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCC2(C1)OCCO2 1690037470 VXCJAYLFTFVDIQ-HXUWFJFHSA-N 497.621 2.202 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1CCN(Cc2ccccc2)CC1 1690104157 OFRJBVLDBBNENH-HSZRJFAPSA-N 485.654 2.178 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCN1CCOCC1(C)C 1690108429 YNSPCBWDDZMUNL-BGYRXZFFSA-N 490.649 2.246 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccc3Cl)n2C[C@H]2CCC(=O)N2)n1 1690109468 SIKBZGMOMVLAQA-QGZVFWFLSA-N 467.961 2.360 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@]2(O)CCOC2)CC1 1690139714 YFZIBPLKLPKVNC-SANMLTNESA-N 465.598 2.360 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2C[C@@H](OC)C(C)C)CC1 1690146229 ITISTNNNTDZRBF-JOCHJYFZSA-N 494.644 2.089 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OC)n2CCc2ccncc2)CC1 1690152546 OYMCKBPHADASNF-UHFFFAOYSA-N 474.565 2.469 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc(C(N)=O)cc1 1690234526 HHKUYPPEQYSEIJ-PMACEKPBSA-N 452.559 2.231 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 1690313540 WQEBGBNHLVFHLF-GOSISDBHSA-N 490.586 2.008 30 10 JEEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1690319830 ZWTWBDIDGQNJBH-OAQYLSRUSA-N 470.622 2.315 30 10 JEEE C=CC1CCN(c2nnc(CN3CCCC3=O)n2CCNC(=O)Cc2cccc(F)c2)CC1 1690415078 WJFHTFLICPNMOJ-UHFFFAOYSA-N 454.550 2.301 30 10 JEEE C=CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC2(CC1)CNC(=O)C2)c1ccccc1 1690441893 ILLRMFHDVRAMIQ-UYAOXDASSA-N 486.642 2.355 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCC[C@@H]1C 1690577765 MGDOJLRIURYSMW-ICSRJNTNSA-N 494.687 2.349 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(CC)Cc1cnn(C)c1 1690668636 CMNPBQITJRMINL-UHFFFAOYSA-N 489.584 2.298 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1690675788 FJBUGKQGKWPBLK-CJNGLKHVSA-N 479.368 2.181 30 10 JEEE C=CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@@H](C(=O)NC)C1 1690742557 UODLWVAUWBYWHC-OAHLLOKOSA-N 453.572 2.476 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H](C)Oc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1705565157 GRQCJMSNEIWWOI-RCCFBDPRSA-N 462.547 2.015 30 10 JEEE C#CCN(c1nnc(C2CC2)n1CC[C@H]1CCN(C(=O)OC(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1 1705567572 YWDJICLKDFJHDD-MJGOQNOKSA-N 477.631 2.429 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@H](C)Oc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1705570058 JXZMMXFKUHQJFC-RXVVDRJESA-N 483.569 2.497 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@H](C)N1CCOCC1 1705595940 MAVFBOWPGIMSFO-OAQYLSRUSA-N 487.608 2.420 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)ccc3Br)n2C[C@@H](C)N(C)C)CC1 1705633992 FEPAKUVQXGNVHB-MRXNPFEDSA-N 461.408 2.422 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1705698656 WXSOHLACOBWDTP-AYBZRNKSSA-N 493.406 2.358 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1705907049 YNARKOGVPDBGGR-HSZRJFAPSA-N 459.522 2.073 30 10 JEEE C=CCSCCn1c(N2CCN(C(=O)[C@H]3CCCO3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1705949799 JONTYECNZKYSPC-XXBNENTESA-N 479.647 2.066 30 10 JEEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(N(C)C)CCSC2)CCO1 1712302748 ADBFPVVZGCCTLC-NZQKXSOJSA-N 472.615 2.018 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CC[C@H](N1CCOCC1)C(F)(F)F 1722291347 IZQRSJAQOZKADR-PBHICJAKSA-N 468.480 2.117 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCCCS1(=O)=O 1722293388 ZTLZXYNSTPIQSH-OKZBNKHCSA-N 481.619 2.012 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](OC(C)C)c2ccccc2OC)CC1 1722437987 XRIQFQRFPUBZQB-UNMCSNQZSA-N 466.586 2.159 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)Oc2cccc(C)c2)CC1 1722441194 NIEDMTLAXMNFCA-HXUWFJFHSA-N 478.597 2.256 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CCCN2CCCCCC2=O)CC1 1722446421 VZPLZHZFXLBBTR-UHFFFAOYSA-N 463.586 2.099 30 10 JEEE C#CCSCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCS(=O)CC1 1722460556 YJLFZXOBWZEOLF-KRWDZBQOSA-N 467.661 2.328 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCOC2)nnc1N1CCC(C(=O)NCCCOC)CC1 1722506734 GAHVLMNEHGUUSK-ACRUOGEOSA-N 461.607 2.132 30 10 JEEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2ccccc2OCC)CC1 1722523368 PRKOJWPCSCGJTP-GOSISDBHSA-N 473.599 2.117 30 10 JEEE C=CCCCn1c([C@H]2CCOC2)nnc1N1C[C@@H](C(=O)OC)[C@H](CNC(=O)OC(C)(C)C)C1 1722618111 OWDGFHHSKSTCAF-RCCFBDPRSA-N 463.579 2.498 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c(-c2cccnc2)nnc1N1CCN2C(=O)NC[C@@H]2C1)C(C)C 1722667534 VXMIWFGIHDEJRH-NHCUHLMSSA-N 450.591 2.253 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CN(Cc2ccccc2)CCO1 1722671656 AZKVUEDBNJEXTD-FCHUYYIVSA-N 471.627 2.260 30 10 JEEE C=CCn1c(N2CCN(C(=O)CN(CC)CC)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1722691288 RFEYCTINWLICPK-KDURUIRLSA-N 475.638 2.225 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CCC[C@@H]1c1nncn1C 1722697268 YTMHUMPVHDPDBR-MRXNPFEDSA-N 471.363 2.480 30 10 JEEE C[C@H](CCn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1)N1CCCCC1 1723798821 DVSNPMRNWUSURS-LJQANCHMSA-N 451.575 2.320 30 10 JEEE N#C[C@@]1(F)CCN(c2nnc(-c3cccc(Br)c3)n2CCC(=O)N2CCOCC2)C1 1731178001 BRMAWNVAXOORPS-FQEVSTJZSA-N 477.338 2.398 30 10 JEEE C#CCCCn1c(COc2ccc(C)cc2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1740596090 SBOPEFQJXPJTRD-UHFFFAOYSA-N 459.554 2.399 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccco1)[C@H]1CCS(=O)(=O)C1 1740619624 PXBIIADYQZSOBK-AWEZNQCLSA-N 464.345 2.304 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1ccc(OC)c(F)c1)[C@H]1CCS(=O)(=O)C1 1740621321 LOSYSZPSPAIIRP-SFHVURJKSA-N 455.515 2.163 30 10 JEEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H]1CCCN1C(=O)OC(C)(C)C 1740632604 MMRJRIWADPIIMD-NTKDMRAZSA-N 457.575 2.403 30 10 JEEE C#CCN(CC)c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1740666566 ULCZDEBDTCEYKF-HSZRJFAPSA-N 460.600 2.379 30 10 JEEE C#CCSCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCO[C@H](CNC(C)=O)C1 1740721216 BIPQEIRBIYOSDQ-OAQYLSRUSA-N 457.600 2.182 30 10 JEEE C=CC1CCN(c2nnc(C(=O)NC(C)C)n2CC2(N3CCOCC3)CC(OCC)C2)CC1 1740834392 VCUDCALBBBYCKH-UHFFFAOYSA-N 460.623 2.089 30 10 JEEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)Cc2cccc(OC)c2)CC1 1740875450 DBKAHLORFGARJE-HXUWFJFHSA-N 487.626 2.046 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(C)OCCc2sccc21 1740932244 KCZKMZLVDYKQEJ-PGRDOPGGSA-N 493.655 2.339 30 10 JEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(N2CCCC2=O)CC1 1740950569 XYRAZKFPACIEGE-SFHVURJKSA-N 460.579 2.364 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H]2CCOC2)nnc1N1CCC(NC(=O)COC)CC1 1740968987 IRGKRMCOYAICPY-IBGZPJMESA-N 455.559 2.127 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2cccc(C(=O)NC)c2)C1 1740972810 NCURYLSIPKJCHP-HYBUGGRVSA-N 455.559 2.119 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2cc(C)nn2C)C1 1740979911 GWHZHVDBAPLRRO-VQTJNVASSA-N 487.605 2.458 30 10 JEEE CC(=O)N1CC[C@H](CN(C)c2nnc(COc3ccc(C#N)cc3)n2CCn2cc(C)cn2)C1 1741030399 FHDLAAQZOSEPEU-OAQYLSRUSA-N 462.558 2.239 30 10 JEEE Cc1ccc(NC(=O)c2nnc(N3CC[C@](F)(C#N)C3)n2CCCN2CCOCC2)cc1C 1742249690 HTYIIMDLSFUXMC-QHCPKHFHSA-N 455.538 2.312 30 10 JEEE CCCN1CCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1745747648 DSIHOTAVONWNSM-PMACEKPBSA-N 472.615 2.226 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ncccc1N(C)C 1748665151 ODMCZDPMVTVTDK-INIZCTEOSA-N 452.588 2.205 30 10 JEEE C#CCCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1748702697 AXNZXDVXNQDUEM-SJLPKXTDSA-N 453.543 2.489 30 10 JEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1CCCNC(=O)C(C)C)[C@H]1CCS(=O)(=O)C1 1748818348 AOQYBTQNIYKIAL-FQEVSTJZSA-N 492.045 2.311 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1CC[C@H](CO)O1 1748846688 JOKRMRJWKXWVGY-HSALFYBXSA-N 457.575 2.005 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@H]1CCN(S(C)(=O)=O)C1 1748868165 SLGQWAFVHAFOGK-OALUTQOASA-N 473.574 2.302 30 10 JEEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@]1(N(C)C)CCSC1 1748912471 DTJOCPUNQGXHDO-JOCHJYFZSA-N 475.688 2.443 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2CC(=O)NC2CCCCC2)CC1 1749000282 QRMHXVSJDJPYOM-UHFFFAOYSA-N 466.586 2.070 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2cccnc2OCCCC)CC1 1749010343 QKJKXFYVMYFFIJ-OAQYLSRUSA-N 466.586 2.370 30 10 JEEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(OC)c(C)c1 1749268557 CJNQFOKWEJJTSQ-GOSISDBHSA-N 469.995 2.317 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1749363845 JFKFEHGAPKRFIS-GIVPXCGWSA-N 471.650 2.210 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1749364300 PDUQEEIGSFRCMN-QGZVFWFLSA-N 452.625 2.082 30 10 JEEE C=CCCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1749390691 HHHYTTXCYKOEBU-IRXDYDNUSA-N 456.522 2.061 30 10 JEEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1(S(C)(=O)=O)CCCC1 1749489382 VCWSHWBJIYDHDP-UHFFFAOYSA-N 459.620 2.432 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@@H](c2ccco2)C1 1749660503 RIZHNCYSLPDSFB-HXUWFJFHSA-N 453.499 2.435 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCCN(C(=O)c2cccc(F)c2)CC1 1749664759 YXLPTQDGHAMGSR-UHFFFAOYSA-N 463.517 2.134 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 1749666128 HRUDCPKXOUEZQG-TYPHKJRUSA-N 465.602 2.021 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1749726102 XKNMZCSNVDFXON-ZHRRBRCNSA-N 477.562 2.017 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(Cl)=C(Cl)C1 1749726672 AAJFKIXLAOFLAI-UHFFFAOYSA-N 495.396 2.421 30 10 JEEE CC(C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1750980091 CINBXPPKJABJAA-IBGZPJMESA-N 465.602 2.421 30 10 JEEE Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)CC#N)n2CCCN2CCN(c3ccncc3)CC2)n1 1751832409 HSWCTYOSCUEUGL-NRFANRHFSA-N 476.633 2.485 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CNC(=O)c3cccs3)n2CC2(O)CCC2)c1 1760128134 ZNXFRQXKLXKUIJ-UHFFFAOYSA-N 478.578 2.241 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2CCCC(=O)N(C)C)c1 1760129104 XXHVPFZVKWYORW-IBGZPJMESA-N 452.559 2.097 30 10 JEEE C#CCN(c1nnc(C(C)C)n1CCCN(C)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1760181913 DMNHCTKAKFGSKY-QGZVFWFLSA-N 453.609 2.285 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1cc(COC(C)(C)C)on1)[C@H]1CCS(=O)(=O)C1 1760185325 VHLBMGOGDKZOHJ-SFHVURJKSA-N 484.582 2.318 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@]1(O)CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1760189492 PSSPVWQZGZREPH-FDDCHVKYSA-N 457.600 2.216 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@@H](C1CC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1760191085 AGOQLGWIUQZKOO-IRLDBZIGSA-N 471.627 2.132 30 10 JEEE C#CCN(c1nnc(COCC)n1CCc1c[nH]c2cccc(C)c12)[C@H]1CCS(=O)(=O)C1 1760192928 POCMDESMDFWBNG-IBGZPJMESA-N 455.584 2.474 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H](c2ccsc2)N(C)C)CC1 1760255316 HEHZQDPIZVUETK-QFIPXVFZSA-N 498.678 2.468 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCCCN2CCCC[C@H]2C)CC1 1760271117 MPYOARBKQDHUOF-OAQYLSRUSA-N 483.661 2.021 30 10 JEEE C#CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1760281898 RSHDBHKLQXRABK-APWZRJJASA-N 462.597 2.170 30 10 JEEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC2(CCCCC2)C1 1760357783 NISJDVZDPSAFTJ-LJQANCHMSA-N 467.636 2.364 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nc2c(s1)C[C@H](C)CC2 1760495705 VAQXQZJBWBYOJU-SJLPKXTDSA-N 492.671 2.419 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1760522755 DDMRCOIKVSCOEE-QGZVFWFLSA-N 470.578 2.121 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1760553479 DGEOYHSTPMVEGI-WBVHZDCISA-N 453.609 2.496 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2C[C@@H](O)CC3(CCCC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1760558300 LQTPHXPEVRRORC-WMZHIEFXSA-N 482.647 2.051 30 10 JEEE CC(C)(C)c1ccc(OCc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@]2(O)CCS(=O)(=O)C2)cc1 1760719126 BTRVPONFWYNYLY-GOTSBHOMSA-N 491.589 2.146 30 10 JEEE CC[C@H](C)[C@@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1869930252 VSHHSOVWPJEBOJ-HTAPYJJXSA-N 470.595 2.497 30 10 JEEE CNC(=O)COc1cn(CCCN2CCOCC2)c(CSc2nc(C)c(C)c(C)c2C#N)cc1=O 1870303910 QKLZTOQAIZNCDA-UHFFFAOYSA-N 499.637 2.180 30 10 JEEE CC(C)N1C(=O)CS[C@@H](C(=O)N2CCC(C(=O)NC3CC3)CC2)[C@@H]1c1ccc(C#N)cc1 1890192922 KOYQHTNNPPOQSY-FCHUYYIVSA-N 454.596 2.469 30 10 JEEE CCN1CCN(CC#CCOC2CCN(C(=O)c3cc(-c4cccc(OC)c4)nn3C)CC2)CC1 1890479105 FIQTWPQVIOXUIB-UHFFFAOYSA-N 479.625 2.358 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)N[C@H](C(=O)O)C(C)(C)S 2019058149 MSHBBWVNJRQXFR-GOEBONIOSA-N 454.545 2.291 30 10 JEEE Cc1c(C(=O)N2CCN(C(=O)OCc3ccccc3)CC2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2255822721 OSSVAYCGVORNQQ-UHFFFAOYSA-N 468.363 2.122 30 10 JEEE C=C(CS(=O)(=O)NC[C@@]1(N(C)Cc2ccccc2)CCOC1)B1OC(C)(C)C(C)(C)O1 2255955205 KCTSSCVLICJNKQ-QFIPXVFZSA-N 450.410 2.385 30 10 JEEE CC1(C)OB(c2cc(Cl)c(C(=O)N3CC(NC(=O)C(F)(F)F)C3)cc2F)OC1(C)C 2256010892 XGWWDSRQSNWAHM-UHFFFAOYSA-N 450.625 2.281 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)[C@@H](C(=O)O)C1 2266998841 IZJVKESKAIIJEN-OAHLLOKOSA-N 466.365 2.193 30 10 JEEE CC(C)[C@@](C)(CNC(=O)OC(C)(C)C)NC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2267190863 UTGKDQQIYPLOES-JOCHJYFZSA-N 450.389 2.389 30 10 JEEE CN(CC[S@](C)(=O)=NC(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2267259706 DFUCYABOPAVLFY-YTTGMZPUSA-N 467.397 2.486 30 10 JEEE CC(C)(C)OC(=O)NCC(F)(F)CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2267497929 GEKIXFBXRBYMOT-UHFFFAOYSA-N 459.274 2.410 30 10 JEEE Cc1sc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)c(B2OC(C)(C)C(C)(C)O2)c1C 2267564564 ILMIDZHIYXANNE-LSDHHAIUSA-N 466.409 2.374 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCOC[C@@H]1NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2267729818 QGHDABLQZMPZDD-CABCVRRESA-N 488.437 2.008 30 10 JEEE C[C@@H](NC(=O)[C@H]1COCCN1C(=O)OC(C)(C)C)c1nscc1B1OC(C)(C)C(C)(C)O1 2268603437 QQJCANDMKBVFTP-UKRRQHHQSA-N 467.397 2.255 30 10 JEEE C[C@@H](NC(=O)CC[C@H](O)CNC(=O)OC(C)(C)C)c1nscc1B1OC(C)(C)C(C)(C)O1 2268643871 MEQBHYKJCXEQAS-KGLIPLIRSA-N 469.413 2.285 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CN(c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)CC[C@@H]1CO 2268997589 KITCKOCHWKPQIF-PBHICJAKSA-N 451.348 2.232 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1C[C@H](O)C[C@H]1CNC(=O)OC(C)(C)C 2282122755 LKVMQUPHOCDWEF-ZWKOTPCHSA-N 460.380 2.394 30 10 JEEE Cc1cc(S(=O)(=O)NC[C@H]2CNCCN2Cc2ccccc2)sc1B1OC(C)(C)C(C)(C)O1 2282304520 LGURTKSJJWGEQQ-LJQANCHMSA-N 491.488 2.108 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2c(F)cccc2B2OC(C)(C)C(C)(C)O2)[C@H](CO)C1 2282466407 DKWRTRPPAZJFQE-HNNXBMFYSA-N 464.343 2.179 30 10 JEEE COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)N[C@@H]1COC[C@@H]1NC(=O)OC(C)(C)C 2282527531 DQCJSHHKXXUQOR-SJORKVTESA-N 462.352 2.016 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC2CC1(CNC(=O)OC(C)(C)C)C2 2282588956 JVASPGIDMNFOLO-UHFFFAOYSA-N 460.384 2.157 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C[C@H]1C(F)F 2282623724 HSUXFCSVNZXSME-ZIAGYGMSSA-N 468.310 2.006 30 10 JEEE COC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2c(cccc2B2OC(C)(C)C(C)(C)O2)C1 2283927036 VXPQHDQYXWBOBC-LJQANCHMSA-N 460.380 2.410 30 10 JEEE C[C@H](OCc1ccccc1)[C@H](NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1F)C(=O)O 2284474954 QPJWUJNHPCAUEG-KSSFIOAISA-N 458.295 2.308 30 10 JEEE CN(C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1)[C@H]1CN(C(=O)OC(C)(C)C)CC12CC2 2287008781 INPZCETWAVGREF-INIZCTEOSA-N 460.384 2.191 30 10 JEEE COC[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)N(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2289506187 JDRIFHGXWQFGTH-NVXWUHKLSA-N 463.384 2.316 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2OCC[C@@]2(C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2296392050 MSGJPQXYHOATFO-WAIKUNEKSA-N 459.352 2.345 30 10 JEEE CNC(=O)[C@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@@H]1C1CCN(S(C)(=O)=O)CC1 2297650784 SIXLDDAHBUUIQG-SJORKVTESA-N 458.506 2.047 30 10 JEEE COc1ccc(N2C[C@@H](c3nnc(SCC(N)=O)n3N=Cc3ccccc3[N+](=O)[O-])CC2=O)cc1 2325880551 DNNIBONTOPZAGC-HNNXBMFYSA-N 495.521 2.175 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H](CNC(=O)OC(C)(C)C)C(C)(C)C1 2362342028 PVHJALMCQUZGDH-HNNXBMFYSA-N 462.400 2.342 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)[C@@H]2CCC[C@@H]21 2367686611 HXVLRIYLGKYWTJ-SJORKVTESA-N 458.368 2.390 30 10 JEEE Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1/C=C\C(=O)OCC(=O)Nc1sccc1C#N 96491988 NTPZGOQSTVYLGE-XQJDBVBESA-N 468.944 2.333 30 10 JEEE CO/N=[N+](\[O-])CC(=O)N1CCCN(S(=O)(=O)c2ccccc2)[C@H]1c1cccc([N+](=O)[O-])c1 103937084 BFGHMYQEGSDJCH-OBOGJDLMSA-N 463.472 2.041 30 10 JEEE C=CCN(CC(F)(F)F)C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 521806807 QUTJYYZFIDVNIC-UHFFFAOYSA-N 461.506 2.185 30 10 JEEE C#CCN(C(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 729330399 CMRMDMKIPKUBMS-FQEVSTJZSA-N 495.022 2.180 30 10 JEEE C#CCN(CCC(=O)Nc1ccc(C(=O)Nc2ccccc2OC)cc1)[C@@H]1CCS(=O)(=O)C1 731213605 HKOAEXNWPPFQCU-HXUWFJFHSA-N 469.563 2.398 30 10 JEEE CC#CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NO[C@H](COC)C(=O)O 757202843 VGGPSLWRUHRGJO-FGZHOGPDSA-N 466.490 2.455 30 10 JEEE Cn1cc(C=NNc2nc(SCC(=O)Nc3nc4ccc([N+](=O)[O-])cc4s3)n[nH]2)cn1 1084460824 FEZXVVJBROKNDI-UHFFFAOYSA-N 458.489 2.233 30 10 JEEE N#C[C@@H]1CN(C(=O)c2ccc(-n3cc(Br)cn3)nn2)CCN1Cc1ccccc1 1126112100 CGAXMARXHXGAAK-QGZVFWFLSA-N 452.316 2.275 30 10 JEEE C=CC[S@@](=O)(=NC(=O)c1ccccc1S(=O)(=O)CCS(C)(=O)=O)c1ccccc1 1134655198 ZBJBIVVPWWBWBO-NDEPHWFRSA-N 455.579 2.358 30 10 JEEE C=C(C)CN1CCC(NC(=O)CCc2c(C)nn(-c3ccc(S(N)(=O)=O)cc3)c2C)CC1 1136669689 LUGLUHXCEVTAPV-UHFFFAOYSA-N 459.616 2.226 30 10 JEEE C=CCCC[C@@H](NC(=O)C1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1)C(=O)OC 1155466853 MEOSCLYGUBXXCR-HXUWFJFHSA-N 450.557 2.304 30 10 JEEE C=CCC[C@H](NC(=O)C1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1)C(=O)OCC 1158280971 NDAZLDWSTLETHX-FQEVSTJZSA-N 450.557 2.304 30 10 JEEE COC(=O)C1(c2ccc(S(=O)(=O)N[C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)cc2)CC1 1211491170 FKQFVWLAITYODL-HXUWFJFHSA-N 453.520 2.237 30 10 JEEE N#Cc1ccccc1N1CCC(NS(=O)(=O)c2ccc(OCC(=O)NC3CC3)cc2)CC1 1213308030 BATMQCPXNIJHAT-UHFFFAOYSA-N 454.552 2.163 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CC2(C)C)c1 1286311570 NYJXYORDTPBSPL-MSOLQXFVSA-N 455.584 2.283 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2Cc2ncccc2C)c1 1286311845 MYYLKSQFRAHFLD-UHFFFAOYSA-N 457.538 2.208 30 10 JEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(=O)CC2CCCC2)CC1 1286314272 MSIJXTJDDNCZIU-LJQANCHMSA-N 478.663 2.311 30 10 JEEE C#CCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1286335597 CZZPWSITVPYYIL-JOCHJYFZSA-N 462.554 2.360 30 10 JEEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1Cc1cnn(CCOC)c1 1286369091 CDWFQONYRWOLJC-UHFFFAOYSA-N 460.542 2.026 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCCN(CC)CC)[C@H]1CCS(=O)(=O)C1 1286389251 ZXSOHPMDZODPJV-SFHVURJKSA-N 465.023 2.352 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CCc1cccnc1)[C@H]1CCS(=O)(=O)C1 1286395215 LSMZLJRQTLRDKC-NRFANRHFSA-N 465.579 2.430 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC1(SC)CCC1)[C@@H]1CCS(=O)(=O)C1 1286396585 QRODEUXEXZQZPR-GOSISDBHSA-N 462.645 2.052 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC2([S@@](C)=O)CCC2)CC1 1286489402 RFEXHOCEKYFONU-PGUFJCEWSA-N 499.637 2.229 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2)CC1 1286546133 GNZHMQAWLXKGSR-SBHAEUEKSA-N 474.631 2.196 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)C[C@H]1CCCO1 1286672051 FZIWEGLJCZZFEJ-MSOLQXFVSA-N 455.625 2.219 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C2CCOCC2)C1 1286792056 LEKKVOPTJUWXFT-FQEVSTJZSA-N 450.543 2.284 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 1286816451 JFTBXCQXMVZGLS-GOSISDBHSA-N 485.566 2.012 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[C@@H](C)[C@@H](O)C1 1286818116 UHGUVXDFCGSCSM-NUJGCVRESA-N 452.552 2.365 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCCN(c2ccccc2C#N)CC1 1286820216 HIARVYYXQLGSIV-OAQYLSRUSA-N 484.626 2.361 30 10 JEEE CC[C@H]1CCCCN1CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1293362659 FWSVATNFOHXORM-XZOQPEGZSA-N 465.602 2.423 30 10 JEEE CNC(=O)[C@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)CN2CCCC2)C1 1299032491 HFRABELMESLNMR-KBMIEXCESA-N 465.602 2.423 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1Cc1cc(C)on1)[C@@H]1CCS(=O)(=O)C1 1300484683 UPHKRTXNBJSOPX-OAHLLOKOSA-N 479.360 2.007 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H](c1cccc(F)c1)N(C)C)[C@H]1CCS(=O)(=O)C1 1300487951 NQBKPYXWPKREFE-RBBKRZOGSA-N 482.585 2.409 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cccc(CS(C)(=O)=O)c1 1300559605 VESJZQNHEKXHKQ-RUZDIDTESA-N 484.622 2.375 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CCCCS1(=O)=O 1300657299 KKZRIUPYHYTJOG-INIZCTEOSA-N 484.420 2.099 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCCCCC2=O)CC1 1300707817 KOEAMFWAYUFGSM-UHFFFAOYSA-N 475.597 2.277 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2CCN2CCCC(C)(C)C2)CC1 1300711321 XWJIGYHDPBUBAA-UHFFFAOYSA-N 485.677 2.284 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1300876882 VDNWOSNCSOKRSL-QYZOEREBSA-N 492.621 2.127 30 10 JEEE C=CCCCCn1c(Cc2cccnc2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1301190610 VUZFPOGUGOWCFZ-NRFANRHFSA-N 474.631 2.251 30 10 JEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCn1ccc2ccccc21 1301297909 WDYZWBGIVVSTID-HXUWFJFHSA-N 458.588 2.278 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(c2ncc(F)cn2)CC1 1301489815 CPRLWWFRHIBPEQ-UHFFFAOYSA-N 456.913 2.156 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@H](CN(C)CCC)C1 1301502561 KOERZDRWCZUXEZ-NQIIRXRSSA-N 454.575 2.261 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H](C)Oc1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1358960416 DPZCZWMEVNBLNZ-AZUAARDMSA-N 481.578 2.443 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1cnn(CC(C)C)c1C)[C@@H]1CCS(=O)(=O)C1 1358962189 LZTALRVMWPELRW-TZIWHRDSSA-N 474.631 2.008 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1CCCNc1ccccn1)[C@H]1CCS(=O)(=O)C1 1358965466 VNSLRFGBLDBRGH-IBGZPJMESA-N 470.624 2.454 30 10 JEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](c1ccco1)N(C)C 1358976279 XWNNFBXCFIWDSN-IBGZPJMESA-N 465.583 2.207 30 10 JEEE C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1359117344 VTBXCNNEOLXWLU-LJQANCHMSA-N 466.590 2.025 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1NC(=O)CC1(C)C 1359259937 NDZGNMGWQOEAEH-YJBOKZPZSA-N 478.594 2.135 30 10 JEEE C=CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1359286451 RNMLSQTUXUNIKA-OAHLLOKOSA-N 451.531 2.481 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCNC(=O)c2ccco2)C1 1359314746 HJGPQCUAFRKRCB-GOSISDBHSA-N 485.566 2.153 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1(CS(C)(=O)=O)CC1 1360475587 BXDAXJGICPUSKF-KRWDZBQOSA-N 472.619 2.015 30 10 JEEE Cc1ccn2cc(Cn3c([C@@H](C)NS(C)(=O)=O)nnc3N3CCC(CC#N)CC3)nc2c1 1361115189 AKEZRLDCZGZHTA-MRXNPFEDSA-N 456.576 2.023 30 10 JEEE CCOC(=O)c1c(NC(=O)N[C@@H]2C[C@@H](C)N(c3ccccc3)C2=O)c(C#N)cn1CCOC 1466104031 BACBUCLQHSWHSA-CRAIPNDOSA-N 453.499 2.498 30 10 JEEE C[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)N1CCc2c(sc(N)c2C#N)C1 1472224774 HLJVXZDUZJUXLD-JTQLQIEISA-N 458.487 2.472 30 10 JEEE CNC(=O)[C@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCc2c[nH]nc2C)C1 1503731532 CVINDBFEZJQSTI-XMMPIXPASA-N 462.558 2.356 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2ccc(OC)cc2)CCC1 1507538288 LGDYAFSOUKWLQL-NQIIRXRSSA-N 487.626 2.199 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1c[nH]c2cccc(C)c12 1507539489 WCCUGZLGMYHBPZ-XLIONFOSSA-N 470.599 2.101 30 10 JEEE C#CCN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1CCS(=O)(=O)N(C)C 1507681974 FFKBUDPBDBTXKY-UHFFFAOYSA-N 454.394 2.367 30 10 JEEE C=CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](CNC(C)=O)C1)c1ccccc1 1507920544 MLUVQLQEDVPQHH-RTWAWAEBSA-N 454.575 2.118 30 10 JEEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N(C)C2CCCCC2)CC1 1507935357 OEVQFPWJEFABJI-NRFANRHFSA-N 471.650 2.499 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(O)CCSC1 1508040182 UDPSZQQIHGFPTC-VGSWGCGISA-N 483.635 2.093 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1c1nc2ccccc2s1 1508074846 NSYXSSQJSIWYOJ-GOEBONIOSA-N 489.627 2.142 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(c2ccc(F)cn2)CC1 1508079506 XSMMAJFRVSTEFQ-UHFFFAOYSA-N 481.532 2.125 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1508093272 HRVRYEURMWMWRK-KOSHJBKYSA-N 455.559 2.106 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCc1ccccc1OC(F)F 1510187938 AZPDSFVHGSXMMK-ORAYPTAESA-N 472.493 2.174 30 10 JEEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1539096347 YZRGPQUEHNFDLB-UHFFFAOYSA-N 490.450 2.450 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1CCc1ccccc1OC(F)F)[C@H]1CCS(=O)(=O)C1 1539215574 FVCNHBUXAQAKKU-KRWDZBQOSA-N 488.520 2.206 30 10 JEEE C#CCN(c1nnc(COCC)n1CCOc1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 1539232038 YSHMEMFYIRWRLG-KRWDZBQOSA-N 452.964 2.174 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1c(CC)nn(C)c1OC 1539266859 TWRBPPYVYVWVDM-HXUWFJFHSA-N 497.600 2.012 30 10 JEEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1539612513 MPOMSCZBZSWBQB-KNBMTAEXSA-N 481.395 2.396 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1540869520 PCQSBBIWRNCHJA-MOPGFXCFSA-N 492.628 2.286 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@](C)(C(N)=O)C1 1540874356 CXOBHKNNBZEZDO-DEOSSOPVSA-N 454.575 2.159 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1C[C@@H]1CCN(c2ccccc2F)C1 1541920732 CKLKRSQXSIOIKP-FUHWJXTLSA-N 475.594 2.294 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCCN1CCc2ccccc2C1 1541934673 CHONDMXFWCCRLY-DVECYGJZSA-N 485.658 2.467 30 10 JEEE CCc1ccccc1OCc1nnc(N(C)[C@H](C)CC#N)n1CC1(O)CCS(=O)(=O)CC1 1546277288 AOUPUBODIMJSNF-QGZVFWFLSA-N 461.588 2.098 30 10 JEEE CN(Cc1cnn(C)c1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H](N1CCOCC1)C(F)(F)F 1554184125 CKJKFWIFBHZIBP-IBGZPJMESA-N 474.491 2.450 30 10 JEEE COc1cc(Cl)ccc1-c1nnc(N2CC[C@@](F)(C#N)C2)n1CC1(C(N)=O)CCOCC1 1554767359 ANIVZHLGOBBRKW-OAQYLSRUSA-N 462.913 2.331 30 10 JEEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H](c1cccc(C)c1)N1CCOCC1 1587921939 NEPKOKFFQIQGSE-WIOPSUGQSA-N 453.587 2.382 30 10 JEEE C#CCN(c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC(=O)NCCC)[C@H]1CCS(=O)(=O)C1 1588035311 RHDUTXUCYQOFAN-WMZOPIPTSA-N 489.667 2.284 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@](C)(O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1588035766 XRQGIGNJESMEEP-BEFAXECRSA-N 484.420 2.069 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CC2CCN(C(=O)OC)CC2)CC1 1588955302 VEDSSJSHGHWLLN-UHFFFAOYSA-N 499.641 2.078 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2CC2(N(C)C)CCOCC2)CC1 1588962243 YJUPDQXUTRNQKE-UHFFFAOYSA-N 494.640 2.242 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCCN(C(C)=O)CC1 1589504024 GPDZBUMXYYPLAZ-UNMCSNQZSA-N 487.626 2.388 30 10 JEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2ccccc2C)CC1 1594813144 PFJVHADZQCJFNN-QFIPXVFZSA-N 473.643 2.404 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)c1nccs1 1595218240 IASSZZLFFGIMPF-HZPDHXFCSA-N 452.606 2.050 30 10 JEEE CC(=O)NC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)CCO1 1596640666 AYBJAHJZEHLZBI-UWJYYQICSA-N 497.600 2.413 30 10 JEEE CC[C@H](C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NC2CC2)CC1)OC 1613129861 AHYIDZPXUHRVCS-AVRDEDQJSA-N 465.602 2.278 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2cnccn2)n1C[C@H]1CCCCS1(=O)=O 1619899564 BDZHAEVPAQMIBU-HXUWFJFHSA-N 481.582 2.227 30 10 JEEE CC(C)(C)OC(=O)N(CC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1)C[C@H]1CCCO1 1629027553 BFSDHCOIKJFDDT-QGZVFWFLSA-N 459.547 2.488 30 10 JEEE C#C[C@H](NC(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccc(Cl)cc1F 1635191419 HHWAQTMNUNFQMB-OLMMMNRUSA-N 454.951 2.379 30 10 JEEE C=CCn1cc(CNC(=O)c2ccc(CNS(=O)(=O)c3ccc(C(C)=O)cc3)cc2)nn1 1638491498 AFXGUDNCBHKHSB-UHFFFAOYSA-N 453.524 2.075 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(c3ccc(F)c(OC)c3)CC2)s1 1639470523 MQCLJBQWYRYHRO-UHFFFAOYSA-N 453.561 2.251 30 10 JEEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccccc2S(=O)(=O)N2CCCCC2)n1 1666527676 QFNVIVYYLYDNGH-UHFFFAOYSA-N 459.572 2.371 30 10 JEEE C#C[C@H](NC(=O)N(CC)[C@H](C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)[C@H]1CCCO1 1681811983 GOEAMRNQZNBAOU-CEXWTWQISA-N 450.580 2.057 30 10 JEEE C#CCCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1689933186 CUCJMGKNNBEEPE-UHFFFAOYSA-N 472.546 2.061 30 10 JEEE C#CCN(c1nnc(-c2cc(C)nc3ccccc23)n1C[C@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1689982186 JDMJWFWZQNFCLA-ZWKOTPCHSA-N 453.568 2.463 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CCCO[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1689983981 IROFXAYHEYZNOE-VXKWHMMOSA-N 472.611 2.330 30 10 JEEE C#CCN(c1nnc(C2CCC2)n1CCc1nccc(C(F)(F)F)n1)[C@H]1CCS(=O)(=O)C1 1689989272 CSLDGJRXUZFMDC-HNNXBMFYSA-N 468.505 2.224 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@@H]1CCCN1CC)[C@H]1CCS(=O)(=O)C1 1689993037 ULKXSRAKHOGARS-VXKWHMMOSA-N 455.628 2.288 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(CN2CCCCC2)cc1 1690019386 HBTATRJLCLTWJI-HSZRJFAPSA-N 465.623 2.287 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](CC)N1CCc2ccccc2C1 1690020060 XXGPJXCFKIRLQE-GOTSBHOMSA-N 465.623 2.090 30 10 JEEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1690052241 DNZNIRWTYSCBKC-NRFANRHFSA-N 461.545 2.086 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H]1CCCOC1 1690101119 ORROLBWBSKXXQM-SFHVURJKSA-N 450.543 2.188 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1([S@](C)=O)CC1 1690102044 AUWLLEPKLHIEDL-GDTDKIKOSA-N 479.647 2.390 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](C)Oc2ccc(OC)cc2)CC1 1690141968 GBBOXDZYTJHTGU-GOSISDBHSA-N 477.569 2.121 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CCNC(=O)c2ccc(C)c(F)c2)CC1 1690150760 UGVNXVISDMXEJG-UHFFFAOYSA-N 466.561 2.074 30 10 JEEE C#CCSCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCC[C@H](C(=O)NC)C1 1690170697 OQRHJIGGXOJUHA-SFHVURJKSA-N 493.637 2.394 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cccc(OCC(=O)N(C)C)c2)CC1 1690410973 BYSAWDWGXJQQMM-HXUWFJFHSA-N 487.626 2.098 30 10 JEEE C=CCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1690489765 BSTGNGTYYDPPMX-JOCHJYFZSA-N 472.659 2.232 30 10 JEEE C=CCNC(=O)Cn1c(N2CC[C@H](C(=O)N(C)c3ccccc3)C2)nnc1[C@]1(OC(C)C)CCOC1 1690676950 JGTITMZXZDFLRM-FNZWTVRRSA-N 496.612 2.110 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)Cc1ccc2cnccc2c1 1690678413 VSJKRAVMSHWEPP-UNMCSNQZSA-N 450.543 2.489 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](c2ccccc2)C[C@H]1C 1690723993 FWNCYVVCGKHXLE-RLLQIKCJSA-N 478.640 2.163 30 10 JEEE CCCn1nc(-c2nnc(N3CCC(C#N)CC3)n2CCS(=O)(=O)CC)c2ccccc2c1=O 1695399619 BHHUXIYBVOCNLX-UHFFFAOYSA-N 483.598 2.240 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2CCCN2CCCO[C@H](C)C2)c1 1705506763 HYFUSPYKFSJDCO-IFMALSPDSA-N 480.613 2.339 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@@H]1CSCCS1)[C@H]1CCS(=O)(=O)C1 1705570327 OVKIMMXAGRCHCV-DLBZAZTESA-N 483.710 2.109 30 10 JEEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1CCn1cc([C@H]2CCOC2)cn1 1705601676 RIEAMKAIJXTTNS-IBGZPJMESA-N 477.594 2.133 30 10 JEEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2CC(=O)NCC=C)CC1 1705642174 JIJCSOOYIMQYAA-UHFFFAOYSA-N 450.587 2.346 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2Cc2ccccc2CN2CC[C@H](O)C2)CC1 1705649627 CXCOBEMQFNLCIX-DEOSSOPVSA-N 478.641 2.057 30 10 JEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2ccc(Cl)cc2)C1 1705653841 QVXGDFAALRVJLZ-QAPCUYQASA-N 484.047 2.486 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCN(c2cccnn2)CC1 1705897878 VYDKVEOZQAGWEU-HXUWFJFHSA-N 476.585 2.454 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1705909400 WDNJYAYJJKMCIH-YLJYHZDGSA-N 465.558 2.034 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2C[C@H]3CC[C@@H](OC)[C@H]3C2)cc1 1705909911 LMPGLNVLDFUSPH-FRTACKCFSA-N 475.615 2.363 30 10 JEEE CC(C)C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1)N(C)C 1706364709 BEKCIOYJGMJBPU-NRFANRHFSA-N 475.601 2.380 30 10 JEEE CC(C)NC(=O)CN(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1ccnc(-n2cccn2)c1 1706641344 ALPCSQJDPKGAHZ-UHFFFAOYSA-N 485.552 2.319 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1722302592 JPBYRONCOUUXIZ-GFGLJSBJSA-N 483.573 2.334 30 10 JEEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)COc2ccc(F)cc2)CC1 1722305655 CDSURAPEHPZBEW-UHFFFAOYSA-N 470.549 2.087 30 10 JEEE C#CCCCn1c(COc2ccc(OC)cc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1722340097 NBYNBWRNKWKKTE-OAQYLSRUSA-N 453.543 2.107 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCOc2ccc(Cl)cc2)CC1 1722446386 USFPCMYPTZCUJC-UHFFFAOYSA-N 465.945 2.433 30 10 JEEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 1722523121 BKJMENCELQWMTG-NVXWUHKLSA-N 452.602 2.357 30 10 JEEE C=C(Cl)Cn1c([C@H](C)OCCOC)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1722543529 QOKKTBCXIQVZPT-QRFRQXIXSA-N 469.030 2.134 30 10 JEEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cc(F)cc(F)c1 1722554759 HIXAEGJZRPLBDA-MRXNPFEDSA-N 461.922 2.278 30 10 JEEE C=CCCOCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1722625584 XDFMBPKLNBJQRD-MRXNPFEDSA-N 460.535 2.313 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1C[C@H](C)O[C@@H](C)C1 1722727644 NVQMBDIMTHMMMF-ROUUACIJSA-N 456.572 2.345 30 10 JEEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1722736944 NQJCLODDJVJHAT-KRWDZBQOSA-N 480.635 2.163 30 10 JEEE CCC(CC)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)COC)CC1)N(C)C 1727163606 DWYOPFDBVQYBDZ-QFIPXVFZSA-N 467.618 2.478 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)cc(OC)c2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1740536399 GEKQAXXZTLDFEU-GCJKJVERSA-N 468.602 2.363 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@](C)(O)c1ccco1 1740538959 LUGUWRXRSATVMF-ZHRRBRCNSA-N 457.556 2.154 30 10 JEEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1740565738 GAGCMTYKIAYVBX-UHFFFAOYSA-N 493.655 2.012 30 10 JEEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1Cc1cccc(C(=O)NC)c1 1740655026 VXTJWGTYNDLAQC-UHFFFAOYSA-N 451.534 2.387 30 10 JEEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc(NC(C)=O)nc1 1740668812 ATOYCXPUAPZLMY-UHFFFAOYSA-N 466.571 2.099 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCC[C@@H]1C 1740676807 MVMWINNWZJUUHI-ICSRJNTNSA-N 459.591 2.443 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc(C[S@](C)=O)cc2)CC1 1740692279 ICAAOMSJYIUWBZ-XDCSYDRFSA-N 485.654 2.001 30 10 JEEE C=C(Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](COCCOC)C1)c1ccccc1 1740801830 DGCWQKJYGQTZKF-FPOVZHCZSA-N 460.600 2.383 30 10 JEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)C1CCCCC1)C1CC1 1740910096 JHBXTACBPMUSKB-DENIHFKCSA-N 467.636 2.097 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1740954206 FXWSWLRIEUGHSZ-YCRPNKLZSA-N 476.375 2.394 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1740964496 PQGVUCMEAZLHEC-UHFFFAOYSA-N 485.564 2.026 30 10 JEEE CC(C)COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1741576151 BSGRGADJQXRQRM-KOSHJBKYSA-N 468.558 2.271 30 10 JEEE C#CCCCCn1c(-c2cccc3cccnc23)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1748709020 NLCAFBVSJJKFCN-UHFFFAOYSA-N 473.581 2.470 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1CCCSC)[C@@H]1CCS(=O)(=O)C1 1748804472 IGRWXZSAVZXEOY-OAHLLOKOSA-N 486.461 2.426 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CC1(C(=O)N(C)C)CCCC1)[C@@H]1CCS(=O)(=O)C1 1748808816 ODQRGDQHBWKLCI-HXUWFJFHSA-N 499.637 2.229 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1Cc1cccnc1OCC)[C@H]1CCS(=O)(=O)C1 1748810089 RWCKWGCBAHYLCR-NRFANRHFSA-N 476.562 2.285 30 10 JEEE C#CCN(c1nnc(-c2nnc(O)c3ccccc23)n1C/C=C/CC)[C@@H]1CCS(=O)(=O)C1 1748814809 JFXCHYBWUMSGDZ-CDVVCGDMSA-N 452.540 2.187 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccc(OCC(F)(F)F)cc1)[C@H]1CCS(=O)(=O)C1 1748817748 PSWFZAICQWDFHP-MSOLQXFVSA-N 498.527 2.398 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1CCS(=O)(=O)C1 1748926911 YCKHWGSZOSNVJF-ROUUACIJSA-N 465.620 2.287 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(=O)N(C)C1CCCCC1 1748950748 NYEQVWKXOQNORT-UHFFFAOYSA-N 487.626 2.226 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 1749000865 BZROUULJQIDPQE-ACRUOGEOSA-N 488.633 2.157 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCOc2c(C)cccc2C)CC1 1749001135 JRPBNZMWWQMXLZ-UHFFFAOYSA-N 478.597 2.176 30 10 JEEE C=C(Br)Cn1c(-c2noc3c2COCC3)nnc1N1CC[C@H](COCCOC)C1 1749097729 HZZBBCWNIVKCTI-AWEZNQCLSA-N 468.352 2.404 30 10 JEEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2ncc(F)cn2)CC1 1749101848 GZNWQDKOKVTOPJ-AWEZNQCLSA-N 452.332 2.336 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1749115247 OFKWTZXQQDARHI-ZJOUEHCJSA-N 460.623 2.087 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@](C)(O)c1ccccc1 1749159154 PXQWSMCDBDMKJU-OFNKIYASSA-N 477.631 2.311 30 10 JEEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1749271439 VJHPCYDFSIHTBF-IRXDYDNUSA-N 496.012 2.379 30 10 JEEE C=C1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@@]2(N3CCOCC3)CCSC2)CC1 1749291256 CILMUNNMGKMKRH-KNQAVFIVSA-N 451.637 2.366 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 1749663880 BAOIYXPTCVLUNF-KRWDZBQOSA-N 455.494 2.471 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CCc1cnccn1 1749669293 GKWVZBLXKXYTMM-GOSISDBHSA-N 484.605 2.164 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC1CCS(=O)(=O)CC1 1760111292 LJAKNWBTOZVEIR-KRWDZBQOSA-N 482.610 2.348 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1oc2ccccc2c1C 1760117404 OKLOLJOQBAQDQQ-MGPUTAFESA-N 457.556 2.172 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Cl)n1CCCCN1CCOCC1)[C@H]1CCS(=O)(=O)C1 1760184820 MJKSDFROXOFTQH-IBGZPJMESA-N 492.045 2.338 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H]1CCCCS1(=O)=O 1760245614 JPNASIBWNYFXMC-SFHVURJKSA-N 462.572 2.016 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2cc(Cl)ccc2OC)CC1 1760263886 SSLVJSXSBWEDDE-UWJYYQICSA-N 459.978 2.468 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2CC[S@](=O)CC)CC1 1760268618 MTIOQPJMXJRFOB-UUWRZZSWSA-N 480.594 2.335 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3noc4c3COCC4)n2CC(C)(C)CCOC)CC1 1760268700 OOHPHAHKTNXYCQ-UHFFFAOYSA-N 470.574 2.034 30 10 JEEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1760275885 MHDAWEMMGYEYNY-MOPGFXCFSA-N 490.699 2.481 30 10 JEEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1760279887 ARRVIXOAVAHTOH-FQEVSTJZSA-N 457.648 2.211 30 10 JEEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1760284725 QQDSVKKVVDRJBD-IBGZPJMESA-N 489.646 2.236 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 1760312844 FLGICRZWLQTJNW-SQNIBIBYSA-N 473.578 2.482 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCC[C@](C)(OC)C1 1760521303 PFJBEVGRFCRHMS-VWLOTQADSA-N 479.585 2.373 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1760526028 AQHUOWPWBMKOJK-GOSISDBHSA-N 462.514 2.106 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2Cc2nncn2CC)C1 1760534517 AIQIVCPWLZXDFX-GOSISDBHSA-N 470.965 2.303 30 10 JEEE C=CCSCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1760559263 FMDZQWCOLCEYPF-RDJZCZTQSA-N 491.017 2.138 30 10 JEEE CCCNC(=O)CCn1c(N2CCO[C@@H](c3cccc(C#N)c3)C2)nnc1[C@@]1(OCC)CCOC1 1764556747 FDSHURNFCXVCPQ-PXDATVDWSA-N 482.585 2.296 30 10 JEEE CCN1CCN(C[C@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](C(=O)OC)C2)CC1 1767144382 GRGJFZXDRYAREK-NZQKXSOJSA-N 479.629 2.480 30 10 JEEE CCOC(=O)[C@@H]1CCCN(C(=O)NS(=O)(=O)c2ccc(CNC(=O)c3cccc(C#N)c3)cc2)C1 1858661413 GFMNNBDCPXAVST-HXUWFJFHSA-N 498.561 2.162 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(O)c(O)c2)cc1F 1862637784 LYINKURIJMMFGT-NRFANRHFSA-N 472.469 2.156 30 10 JEEE N#Cc1nnn(-c2ccc3[nH]ncc3c2)c1NC(=O)CN1C(=O)c2ccc(Br)cc2C1=O 1870155612 WKUJCASPJMNBAW-UHFFFAOYSA-N 491.265 2.012 30 10 JEEE C=CCn1cc(OCC(=O)NC[C@@H]2CCCO2)c(=O)cc1CN1CCN(c2ccccc2)CC1 1870542445 UBRUFFXHUOMWSM-QHCPKHFHSA-N 466.582 2.031 30 10 JEEE C=CCn1cc(OCC(=O)NCCCO)c(=O)cc1CNc1ccc(I)cc1 1871260651 TVEJOYPMZNFQKB-UHFFFAOYSA-N 497.333 2.128 30 10 JEEE N#Cc1ccc(OC2CCN(C(=O)c3c4c(nn3[C@H]3CCS(=O)(=O)C3)CCC4)CC2)cc1 1890837282 PVPQUNKDNCYTMZ-KRWDZBQOSA-N 454.552 2.287 30 10 JEEE CC1(C)OB(c2ccccc2S(=O)(=O)NC2CN(C(=O)OCc3ccccc3)C2)OC1(C)C 2247882601 RGIHZALDGTUAKB-UHFFFAOYSA-N 472.372 2.285 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@H](NS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2247901752 PEDQKKHCMHMLSS-JOCQHMNTSA-N 458.411 2.381 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CO)CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1Cl 2255543763 NYNPZWVQJLVVAT-AWEZNQCLSA-N 454.760 2.255 30 10 JEEE CC1(C)OB(c2cnsc2C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)OC1(C)C 2267163931 KTVYLORXPXIENQ-GOSISDBHSA-N 457.405 2.463 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)[C@H](CO)C1 2267277322 NPRGNOKPOREOKN-GJZGRUSLSA-N 466.409 2.395 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)c(F)c2)C1 2267365959 YCEVBWRZLMCIJH-OKILXGFUSA-N 470.372 2.459 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1CNS(=O)(=O)Cc1ccccc1B1OC(C)(C)C(C)(C)O1 2267411885 FQXGJJCPHFUHIK-SJLPKXTDSA-N 466.409 2.318 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](NS(=O)(=O)c2ccc(F)cc2B2OC(C)(C)C(C)(C)O2)C1 2267469023 ZUPZXEAQZOGFGT-HNNXBMFYSA-N 470.372 2.413 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2CCC[C@@H](OCc3ccccc3)C2)n1 2267472111 NGGQNYNDQMOXOC-GOSISDBHSA-N 461.393 2.089 30 10 JEEE CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1nc(C)sc1B1OC(C)(C)C(C)(C)O1 2267478197 VCQVPLNHAZNQNA-KBPBESRZSA-N 467.397 2.115 30 10 JEEE C[C@H]1CC[C@@H](CNC(=O)C(F)(F)F)N(C(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)C1 2267544569 WKNAXEJHFGTHRG-RYUDHWBXSA-N 461.315 2.362 30 10 JEEE CO[C@@H]1C[C@@H](C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)N(C(=O)OC(C)(C)C)C1 2268649266 ILJNLFQDJOGXNI-KGLIPLIRSA-N 467.397 2.083 30 10 JEEE C[C@H]1OCCN(C(=O)OC(C)(C)C)[C@H]1C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2268654950 GFEVJPVIWYXJKI-CZUORRHYSA-N 467.397 2.083 30 10 JEEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@@H](COCc3ccccc3)CC(=O)O)s2)OC1(C)C 2269037859 LTKSISVMTROKGU-MRXNPFEDSA-N 481.401 2.386 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)CC[C@@H]1C(=O)NCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2279285972 NBMQVIMNBXBIFO-RBUKOAKNSA-N 460.380 2.362 30 10 JEEE CO[C@H]1CN(C(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2F)C[C@@H]1NC(=O)OC(C)(C)C 2281781454 KCAPFAZWZMFTBL-IRXDYDNUSA-N 464.343 2.489 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@@H](NC(=O)c2ccc(F)cc2B2OC(C)(C)C(C)(C)O2)C1 2281783139 GZWHZGBNCFWOFN-INIZCTEOSA-N 464.343 2.491 30 10 JEEE Cn1ncc(C(=O)N2CC3(CCC[C@H]3NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2281825895 CJKQUCRGQQHWSG-MRXNPFEDSA-N 460.384 2.239 30 10 JEEE Cn1nc(C(=O)N2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)cc1B1OC(C)(C)C(C)(C)O1 2281981432 NQVKQBXPRLEFMT-HOTGVXAUSA-N 460.384 2.048 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@@]2(CCN2C(=O)OC(C)(C)C)C1 2282006410 UNKVIUJWZFKPRR-HSZRJFAPSA-N 460.384 2.253 30 10 JEEE C[C@H]1C[C@@H](CNC(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CCN1C(=O)OC(C)(C)C 2282039205 RMWBRVIFJQQPFU-HOTGVXAUSA-N 462.400 2.485 30 10 JEEE CCn1cc(C(=O)N(C2CC2)C2CN(C(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2282042089 AKKWJXOZEXFFTM-UHFFFAOYSA-N 460.384 2.426 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@H]3CCN(C(=O)OC(C)(C)C)[C@H]3C2)n1 2282043842 PTWKXCGRYGXTRH-RDJZCZTQSA-N 460.384 2.191 30 10 JEEE CCn1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H]3CC[C@H]32)nc1B1OC(C)(C)C(C)(C)O1 2282052945 RJSPLFMNOKVKEH-SJORKVTESA-N 460.384 2.426 30 10 JEEE C[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282498105 YZKBGPZVUFQOCB-OCCSQVGLSA-N 496.382 2.409 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCCO[C@@H]2[C@@H]1NC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2282514472 DIKHQOCCSMKZLI-NHIYQJMISA-N 479.408 2.243 30 10 JEEE Cn1cc(C(=O)N[C@@H]2C[C@@H]3C[C@H](NC(=O)OC(C)(C)C)[C@@H]3C2)nc1B1OC(C)(C)C(C)(C)O1 2282547440 QNYJYYKZLXRDKY-FPCVCCKLSA-N 460.384 2.141 30 10 JEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@]12CO[C@@H](C1)[C@H](NC(=O)OC(C)(C)C)C2 2282561925 NBVQJPCGSKRJJQ-VBURHUQHSA-N 462.352 2.442 30 10 JEEE CC[C@@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2CN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2282563994 NHMCVWDISTUHKY-ZMSDIMECSA-N 460.384 2.426 30 10 JEEE Cc1oc(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 2282575046 XOAKTGBOEYDSAS-USXIJHARSA-N 464.368 2.281 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N=[S@](C)(=O)C[C@H](C)NC(=O)OC(C)(C)C 2282607826 ZHPQNXAKCJJYDE-RPLXOIEJSA-N 484.428 2.353 30 10 JEEE CC(C)(C)OC(=O)N[C@@]12CCC[C@@H]1CN(C(=O)c1ncc(B3OC(C)(C)C(C)(C)O3)cn1)C2 2282611821 AXQQBKSJGQKOBO-IQMFZBJNSA-N 458.368 2.295 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]1CCCN2C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2283061815 NEKWMTLMBHSHMG-HOTGVXAUSA-N 458.368 2.390 30 10 JEEE COc1cccc([C@@H]2C(=C(O)c3c(C)nn(C)c3C)C(=O)C(=O)N2CCCN(C)C)c1OC 2296624977 YWIVPZWQIBYXGL-HXUWFJFHSA-N 456.543 2.428 30 10 JEEE CCOc1ccc(C=Nn2c(SCC(N)=O)nnc2[C@@H]2CC(=O)N(C(C)(C)C)C2)cc1OC 2327840281 NQBMIUHYSBSKAU-OAHLLOKOSA-N 474.587 2.259 30 10 JEEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)[C@H](CN)c1cc(I)nn1C 2361023929 BZHQPBNCTZBCKL-MRXNPFEDSA-N 487.386 2.359 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2C[C@@H]3[C@H]2CCN3C(=O)OC(C)(C)C)n1C 2362338442 FIFLGJPYRHKYQN-HRCADAONSA-N 460.384 2.155 30 10 JEEE COc1ccc(NC(=O)C2(CNC(=O)OC(C)(C)C)COC2)cc1B1OC(C)(C)C(C)(C)O1 2365291398 DIGLASFWUJEDLH-UHFFFAOYSA-N 462.352 2.474 30 10 JEEE COc1cc(/C=c2\s/c(=C(/C#N)c3nnc4n3CCCCC4)n(-c3ccccc3)c2=O)ccc1O 13306427 LJODITXVQMGXGH-SKGUDZDDSA-N 485.569 2.482 30 10 JEEE Cc1ccc([C@@H]2/C(=C(/O)c3c(C)nc4ccccn34)C(=O)C(=O)N2CCN2CCOCC2)o1 102505536 AWXUBEZCPZXQDZ-DQVIVYRFSA-N 450.495 2.298 30 10 JEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1-c1ccc(OC(F)F)cc1 480213150 AYEWNYKNUNFUBF-UHFFFAOYSA-N 453.470 2.306 30 10 JEEE CCOC(=O)c1c(NC(=O)C[S@@](=O)CC(=O)N(C)CCC#N)sc2c1CC[C@H](C)C2 586294734 PVXYXHAMBWCDCI-GNDSEDMPSA-N 453.586 2.109 30 10 JEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)c(Cl)c2)c(=O)n1C[C@@H]1CCCO1 603798172 KAPPZHIWSHFCLM-AWEZNQCLSA-N 464.374 2.201 30 10 JEEE C#CCNS(=O)(=O)c1cccc(C(=O)NCc2nc(-c3ccc(Br)cc3)n[nH]2)c1 726780580 PHGNQDHNHYPYES-UHFFFAOYSA-N 474.340 2.076 30 10 JEEE COc1ccc(C=NNc2nnc(SCC(=O)Nc3ccc(C(C)=O)cc3)n2N)cc1OC 1084463539 XGOWVBSRDOFMLN-UHFFFAOYSA-N 469.527 2.389 30 10 JEEE COC1(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CCN(C(=O)OC(C)(C)C)CC1 1138107967 GRVMQXYQAWOEKX-HOTGVXAUSA-N 452.552 2.278 30 10 JEEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1286314506 PIRKTASOQDUVLH-UHFFFAOYSA-N 464.574 2.455 30 10 JEEE C#CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1286339924 TXVYGGTWHOUIQP-SFHVURJKSA-N 451.487 2.033 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@]1(O)CCO[C@@H]1C 1286434318 JJUFRPPCWSNECX-IMWIBFENSA-N 457.575 2.353 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCOC2)n1C[C@@H]1CC(=O)N(CCOC)C1 1286458169 LSGVVLQDIMEZSD-UXHICEINSA-N 455.534 2.056 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2CCCc2cnn(C)c2)CC1 1286493465 VSJWXTQUXSVTOZ-UHFFFAOYSA-N 479.560 2.328 30 10 JEEE C=C(Br)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CC(=O)NC(C)(C)C 1286530267 KNDYQVJTYQAYEY-UHFFFAOYSA-N 450.341 2.185 30 10 JEEE C=C(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1286584557 GKQMJOZARWLZQG-UHFFFAOYSA-N 451.531 2.244 30 10 JEEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2ccccc2F)C1 1286601332 UIXIHDWGBVKMEO-APWZRJJASA-N 467.567 2.198 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2cc(OC)c(OC)cc2CC1 1286606514 RWZQRIVAXDCCMA-IBGZPJMESA-N 455.559 2.444 30 10 JEEE C=CCCCn1c(Cc2cccnc2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1286702404 QWBSQBPFTGAGNK-QHCPKHFHSA-N 453.635 2.461 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCC(NC(=O)C(C)C)CC1 1286792384 WGUAFDGCCDNTTM-UHFFFAOYSA-N 458.538 2.039 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CC(=O)N2CCOCC2)C1 1286804277 JSRVKVFVICAKOO-FQEVSTJZSA-N 485.585 2.381 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CCC(N2CCCC2=O)CC1 1286823979 SGFOVTLKXOIUMQ-UHFFFAOYSA-N 487.626 2.358 30 10 JEEE COC(=O)[C@H](CNC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)Cc1ccc(O)cc1 1292984365 BUAAPDWQCJQCFP-DLBZAZTESA-N 455.898 2.418 30 10 JEEE CCCN1CCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1294744733 BMCPWYPKDXKXSM-UNMCSNQZSA-N 485.658 2.457 30 10 JEEE CN(CCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@@](F)(C#N)C1)CC(F)(F)F 1298666531 GCILKJYCNAOHMV-LJQANCHMSA-N 478.458 2.247 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@]2(OC)CCOC2)c1 1300332160 YTMGEMNXHDZXSA-CLJLJLNGSA-N 497.596 2.180 30 10 JEEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(CN2CCC(O)CC2)cc1 1300430814 APIWFYFONYMEFV-SANMLTNESA-N 467.614 2.393 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 1300575169 SLZHCHZGTTXOJV-DEOSSOPVSA-N 457.582 2.433 30 10 JEEE C#CCSCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(C(C)=O)C[C@H]1C 1300743266 KLMDGLGYEKXQTG-MRXNPFEDSA-N 473.599 2.394 30 10 JEEE C=C(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(CCOCC)CC1 1300946202 PMQKZYAOIJKDEX-UHFFFAOYSA-N 451.575 2.410 30 10 JEEE C=C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2(NC(=O)OC(C)(C)C)COC2)CC1 1301064465 USHUAAMARUOVPS-UHFFFAOYSA-N 469.546 2.376 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C)(COC)CC1 1301502756 OVQHFAQUIOKDIN-SFHVURJKSA-N 492.621 2.142 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCN(C2CC2)C(=O)C1 1301514244 HGLXDYJYUVYKFD-UHFFFAOYSA-N 479.368 2.277 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)OCC)CC1 1301529591 NEGWEMXPLFOYQY-SFHVURJKSA-N 454.531 2.121 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)Cc1scnc1C 1301576454 VCQPOWKYGJTQNN-UHFFFAOYSA-N 495.652 2.351 30 10 JEEE C=CCc1cc(CNC(=O)NCc2cccc([C@]3(C)NC(=O)NC3=O)c2)cc(OC)c1OC 1338271499 SXFDOKQAXREYOR-DEOSSOPVSA-N 452.511 2.486 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CCCc1ccccc1F)[C@H]1CCS(=O)(=O)C1 1358956256 CMYRSVMVSGNFSB-RDPSFJRHSA-N 490.601 2.329 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H]1CCCN1CCCO 1358984359 ROZIGJOWRYWWLJ-QHCPKHFHSA-N 462.598 2.457 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](C)N1CCN(CC)CC1 1359017137 VHAWNRVZJALGBL-DENIHFKCSA-N 467.593 2.034 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(OC)cc2)n1Cc1ccc(N2CCOCC2)nc1 1359021553 SYGIKYJJBLGMNN-UHFFFAOYSA-N 462.554 2.320 30 10 JEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CCc1ccc(N(C)C)cc1 1359023643 QMUHFJQZYVYPGN-UHFFFAOYSA-N 450.543 2.401 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCc2ccc(N(C)C)cc2)CC1 1359044789 ORCQKMWTJBRVQM-OAQYLSRUSA-N 450.587 2.057 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C1CCCCC1)N(C)C 1359064780 ZQVVQYSITLQOCI-ZWCUEREDSA-N 450.653 2.391 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1359103636 QUIVUNDWFWHSKU-DVECYGJZSA-N 486.592 2.188 30 10 JEEE C=C(C)COCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1359131574 YGZKVFNHFLRYDA-IBGZPJMESA-N 485.614 2.194 30 10 JEEE C=C(Cl)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1359146623 DVWPPGCQSVEDGA-UHFFFAOYSA-N 478.962 2.346 30 10 JEEE C=CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccccc1S(=O)(=O)N(C)C 1359231872 HVYGWFQVCWIXHZ-QFIPXVFZSA-N 463.604 2.240 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCCS1(=O)=O 1359263962 QQTHTCNVNZNKKC-FUHWJXTLSA-N 484.669 2.402 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1359296402 IHMQNBCUAITTMZ-DEOSSOPVSA-N 484.557 2.076 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(Oc2cc(C)ccn2)CC1 1359306253 ACJXCXARWAAQKV-AVRDEDQJSA-N 470.574 2.056 30 10 JEEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(CC(C)(C)C)n1C[C@H](C)CN1CCOCC1 1360605951 IDCGEHKLSBZROE-UXHICEINSA-N 481.649 2.212 30 10 JEEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CCNC(=O)c1cccs1 1360618348 CEYZJOADFMHXMZ-HNNXBMFYSA-N 472.596 2.178 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1-n1nc(C)cc1C 1507518596 VTDZJSHRRGRNLW-FUHWJXTLSA-N 455.588 2.197 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1507539241 SVUFAHPDIUHLFH-LYXWCMDISA-N 475.590 2.383 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1Cc1nc(C)cs1)[C@@H]1CCS(=O)(=O)C1 1507624599 CCCPGNCLSUVHDE-QGZVFWFLSA-N 487.607 2.402 30 10 JEEE C#CCN(c1nnc(-c2ccccc2F)n1CC[S@@](=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1507629559 NYQJAHTZLWKDLF-XHDOVSQSSA-N 466.604 2.258 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(Oc2ccccc2)nc1 1507642148 HDGFMHRSNOQUJC-GOSISDBHSA-N 464.551 2.197 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccccc2F)n1C[C@H](N1CCOCC1)C(F)(F)F 1507655463 HSHAZLZMXVOTNU-IBGZPJMESA-N 465.451 2.332 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2C[C@@H](CC)OC)CC1 1507737987 FLJHLBSKNDSTCH-NQIIRXRSSA-N 453.543 2.181 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(O)(Cc2ccccc2F)CC1 1507752260 XKZMOCVIIBBALQ-IBGZPJMESA-N 492.642 2.260 30 10 JEEE C=C(C)COCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1507838046 JNQZRAUXFQCICO-HYBUGGRVSA-N 477.613 2.398 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N(C)Cc1ccc([S@](C)=O)cc1 1508141825 OXXKQOSGEMPBII-PBYQXAPXSA-N 466.629 2.147 30 10 JEEE C=CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(C(C)=O)CC1 1508154627 CWPJGBLBCJZFMI-UHFFFAOYSA-N 467.599 2.263 30 10 JEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(c2nc(C)no2)CC1 1508161364 LEGAZNWJQJBNBV-MRXNPFEDSA-N 452.606 2.175 30 10 JEEE CCc1nsc(N2CCN(c3nnc(-c4cccc(C#N)c4)n3CCNC(=O)C(C)C)CC2)n1 1513963760 ACQVSFCBHCDKKC-UHFFFAOYSA-N 479.614 2.329 30 10 JEEE CCCNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2CCS(=O)(=O)CC2)C1 1515009315 FVYKQRJVKHWNGQ-NRFANRHFSA-N 484.626 2.384 30 10 JEEE CCN1C[C@@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)CC)C[C@@H]1C 1515818702 FALRLVKCTBJVTC-ZWKOTPCHSA-N 460.604 2.082 30 10 JEEE CN1CCC2(CCN(c3nnc(-c4cccc(C#N)c4)n3CCS(=O)(=O)C(C)(C)C)CC2)C1=O 1517408859 GTRIPVOEUYFEJE-UHFFFAOYSA-N 484.626 2.479 30 10 JEEE CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 1517599341 HXDWTOPPUVJGBB-UHFFFAOYSA-N 493.593 2.197 30 10 JEEE C#CCCCCn1c(C2CC2)nnc1N1C[C@@H]2[C@@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1539068323 STOAFUJNHXFBSA-SQNIBIBYSA-N 463.604 2.086 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1CCOc1ncccc1F)[C@@H]1CCS(=O)(=O)C1 1539225482 OCUKMXLTILBMFF-QGZVFWFLSA-N 475.571 2.170 30 10 JEEE C#CCN(c1nnc(CCOc2ccccc2)n1Cc1ccc(F)cn1)[C@H]1CCS(=O)(=O)C1 1539231423 VRTOJAYCQBOWCZ-FQEVSTJZSA-N 469.542 2.109 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(N2CCOCC2)CCCCC1 1539246883 YJHBPXONYUSIGW-UHFFFAOYSA-N 495.649 2.457 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCN(C)[C@H](C)CC 1539268277 LNUFBRVUGIIUEH-WOJBJXKFSA-N 458.607 2.390 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H]1CCOC[C@H]1OC 1539315806 UZAIJLHHXBBXNQ-DENIHFKCSA-N 474.565 2.189 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccnc(OCC(F)(F)F)c2)CC1 1539490497 WOHDMEJGACYBHA-GOSISDBHSA-N 492.502 2.480 30 10 JEEE C#CCSCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC(NS(C)(=O)=O)CC1 1539527287 ZSKDLLNHECOMPN-UHFFFAOYSA-N 477.656 2.358 30 10 JEEE C#CCSCCn1c(N2CCC(NC(=O)C(C)C)CC2)nnc1[C@]1(OC(C)C)CCOC1 1539531550 WUIMWMAVHIAFPX-QHCPKHFHSA-N 463.648 2.426 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)Oc1cccc(OC)c1 1539539100 PTFXJIRRJMNABG-GSHUGGBRSA-N 461.588 2.357 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1C[C@H](C)C[C@@H](C)C1)C1CC1 1540109846 VPUOWTOHXOCWFQ-SBHAEUEKSA-N 480.679 2.134 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1c(C)nn(C)c1C 1540127542 RRTGCCPVVFHZNF-QGZVFWFLSA-N 457.604 2.480 30 10 JEEE C=CCN(CC=C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](C)N1CCOCC1 1540163961 DSDUTKSZFIGYIV-GOSISDBHSA-N 459.620 2.137 30 10 JEEE C=CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1540857891 UUILMEBNBFHJAT-KRWDZBQOSA-N 470.578 2.165 30 10 JEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 1540873053 KYOBZUSKJVYBIC-INIZCTEOSA-N 475.619 2.287 30 10 JEEE C=CCOc1ccccc1Cn1c(CC)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1540880974 VKIVYTDINAGBIL-DENIHFKCSA-N 452.603 2.442 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccn3C)n2CC[C@H](C(F)F)N2CCOCC2)C1 1540888757 XRVJCVMNGAPVQI-ZWKOTPCHSA-N 450.534 2.421 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCN(c2nccnc2C)CC1 1540907018 JJSVBBVIWCUFKQ-UHFFFAOYSA-N 459.620 2.037 30 10 JEEE Cc1nn(C)c(N2CCN(c3nnc(CCCc4ccccc4)n3CC(C)(C)O)CC2)c1C#N 1543001743 AQDQIEVBOHMYGW-UHFFFAOYSA-N 462.602 2.465 30 10 JEEE C=CCN1C(=O)C(=O)N(CC(=O)NCc2ccc(-n3cnc4ccccc43)cc2Cl)C1=O 1545985502 CSGCCBWQHZLWEC-UHFFFAOYSA-N 451.870 2.272 30 10 JEEE Cn1ccnc1C(=O)N1C[C@@H](C(N)=O)[C@H](C2CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)C1 1548393478 RODITYLEXOPKSU-ZWKOTPCHSA-N 474.487 2.401 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(Cc2cccnc2)n1C[C@@]1(O)CCO[C@@H]1C 1555545398 DLLXBFQQXDWUJS-CLOONOSVSA-N 462.554 2.328 30 10 JEEE C#Cc1ccc(NC(=O)CCN2CCN(C(=O)c3ccc(OC)c(OC)c3OC)CC2)cc1 1559585199 LTLJSMLZEUOPJH-UHFFFAOYSA-N 451.523 2.480 30 10 JEEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]2C2CCCC2)CC1 1585000109 NVZYFNOENHLASS-LOSJGSFVSA-N 450.627 2.209 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1CCN1CCOCC1(C)C 1588581411 QFFQZVKJTQYLRW-UHFFFAOYSA-N 465.396 2.233 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2Cc2cccnc2OC)CC1 1588762241 FXLXLDCVYRHLKJ-UHFFFAOYSA-N 478.553 2.178 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCCNC(=O)OC(C)(C)C)CC1 1588837572 YPLCGIDTDFJGEW-NRFANRHFSA-N 482.585 2.461 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccccc2OC)nnc1N1CCCN(S(C)(=O)=O)CC1 1589557791 IWZJDDAQRAEREE-NFBKMPQASA-N 489.642 2.330 30 10 JEEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCSC(CC)(CC)C1 1593746492 GRLBIRCNEMKZJY-SFHVURJKSA-N 487.692 2.316 30 10 JEEE C=C(C)COCCn1c(COc2ccc(F)cc2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1593769459 NJOAATKRZVRVPH-NRFANRHFSA-N 486.548 2.356 30 10 JEEE C=C(C)COCCn1c(N2CCN(C(=O)NC(C)(C)C)CC2)nnc1[C@@]1(OCC)CCOC1 1593770140 XETIFAGQZKNAFC-HSZRJFAPSA-N 464.611 2.153 30 10 JEEE C=C(Cl)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1593894769 GXMZUJPVPKKNMR-UHFFFAOYSA-N 463.995 2.129 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1595776541 BEBFIUSDWVRUTL-OAHLLOKOSA-N 473.020 2.213 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H](CNC(C)=O)C1 1595804759 GBTWFBUZJMNLDX-QGZVFWFLSA-N 481.569 2.100 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)c2ccsc2)CC1 1595805782 UPZHVIFJBBJCOC-UHFFFAOYSA-N 465.645 2.491 30 10 JEEE Cc1cccc([C@H](Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)C[C@H](C)C#N)N2CCOCC2)c1 1612173296 FPBUXABKOFDETO-GIVPXCGWSA-N 451.575 2.207 30 10 JEEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCCO[C@@H](C)C2)C[C@@H]1C 1619937175 BWBBWVBNOYXTSL-VXKWHMMOSA-N 481.645 2.475 30 10 JEEE CS(=O)(=O)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCCS2)CC1 1620169106 DXRSYGROJKDCLB-HXUWFJFHSA-N 490.655 2.486 30 10 JEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCC[C@H](NC(=O)N(C)C)C1 1626285914 AVAZVKQGYGRFAM-AWEZNQCLSA-N 453.337 2.360 30 10 JEEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@H]2c2ccc(Br)cc2OC)C1=O 1629331989 DMUKIQDQSXRWPP-AWEZNQCLSA-N 450.289 2.098 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@@H](OC)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1689993380 BUNYJECTPVMPKR-ZWKOTPCHSA-N 465.645 2.322 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccccc2F)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1690099022 ZSXBGZSLDSWJPG-GHTZIAJQSA-N 475.590 2.374 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CC2(S(C)(=O)=O)CCC2)CC1 1690131938 BAJOYQGWYUWSIS-UHFFFAOYSA-N 471.627 2.196 30 10 JEEE C#CCN1CCN(c2nnc(CSc3ccccc3OC)n2CC(=O)NCc2ccco2)CC1 1690134833 HMJRACOUXBFEIO-UHFFFAOYSA-N 480.594 2.244 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC2(N(C)C)CCOCC2)CC1 1690135024 OPPBMVLYSPONQR-NHCUHLMSSA-N 458.651 2.063 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCNS(C)(=O)=O)CC1 1690374608 WXEHHSATSASBOH-QGZVFWFLSA-N 468.624 2.098 30 10 JEEE C=CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CC(=O)N1CCOCC1 1690519938 DBJRETWDDTWUOR-UHFFFAOYSA-N 450.337 2.197 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1690717419 FPUNPHIINPZYFX-OAQYLSRUSA-N 486.598 2.349 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 1690720351 GMGTVWFFPNXSRB-SIKLNZKXSA-N 498.657 2.194 30 10 JEEE Cc1cc(C)n(Cc2nnc(N(C)C[C@H](C)C#N)n2Cc2ccc(N3CCO[C@H](C)C3)nc2)n1 1693415947 HNQJUGIBVZXEDW-YLJYHZDGSA-N 463.590 2.404 30 10 JEEE CCN(CC)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1695657870 BQWQHFGFYPWRLF-UHFFFAOYSA-N 487.612 2.369 30 10 JEEE C#CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(C(=O)NCCC)CC1 1705512267 XSEAYYZHEVEAOM-UHFFFAOYSA-N 461.574 2.467 30 10 JEEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1705523133 LIHJXLLGISZFSB-UHFFFAOYSA-N 498.031 2.019 30 10 JEEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1ccccc1C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1705568153 ILUOXXLIPCBWHH-KRWDZBQOSA-N 495.527 2.094 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@H](C)N1CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1705570480 QFFAYGMSHREPNE-LQWHRVPQSA-N 490.699 2.381 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1CC(=O)Nc1c(C)cccc1C)[C@@H]1CCS(=O)(=O)C1 1705571182 WMYPMLMCOWTXNJ-LJQANCHMSA-N 457.600 2.359 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ccc(C(N)=O)cc2)CC1 1705653104 ZDFIOLATYHXZQA-FGZHOGPDSA-N 492.624 2.310 30 10 JEEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1705658780 ATXGYBHRKHPZPK-SFHVURJKSA-N 459.583 2.392 30 10 JEEE C=C(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC(NS(C)(=O)=O)CC1 1705725386 XBIVXGYMELDGLH-UHFFFAOYSA-N 482.651 2.487 30 10 JEEE C=C(Cl)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCN1CCOCC1 1705754946 IMWAVVUCXPWCBY-QGZVFWFLSA-N 471.002 2.107 30 10 JEEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@](C)(O)c1ccco1 1705883345 FHQZGXRNCDAKBU-XMMPIXPASA-N 464.526 2.332 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1705902649 KPWPJINFJAVRMO-WBVHZDCISA-N 489.374 2.253 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C(C)(C)C)CC2)cc1 1705910099 RGHMQCHCBQBDKZ-GOSISDBHSA-N 476.647 2.422 30 10 JEEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2c(cccc2OC)C1 1705939946 QXNWHQOSSAMMHP-HNNXBMFYSA-N 451.618 2.379 30 10 JEEE C=CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(S(C)(=O)=O)CC1 1705940704 MZBIQXGOYKEWGN-UHFFFAOYSA-N 475.438 2.037 30 10 JEEE CCn1cccc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(CC(N)=O)CC2)c1=O 1710192286 DKSJKBNIBFWJIM-UHFFFAOYSA-N 475.553 2.050 30 10 JEEE COCCn1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(NC(=O)C(C)C)CC2)cn1 1712465086 GHEVYOXOPJPILF-UHFFFAOYSA-N 476.585 2.449 30 10 JEEE C#CCCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCc2nn(C)c(=O)cc2C1 1722310492 LYEUPHPYEWTDOH-UHFFFAOYSA-N 478.553 2.431 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@H](C)CN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1722361789 PIOKBSIHJUIWRW-AZUAARDMSA-N 456.616 2.007 30 10 JEEE C#CCN(c1nnc(COc2ccccc2CC)n1Cc1ccc(OC)nc1)[C@H]1CCS(=O)(=O)C1 1722371975 ZVQGXSNJTJXKII-NRFANRHFSA-N 495.605 2.498 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(Br)cc2)n1CCS(=O)(=O)N(C)C 1722389419 SQYAUCSAESAKJP-UHFFFAOYSA-N 464.389 2.062 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(Br)cc2)n1Cc1nnc2n1CCC2 1722420197 HYXZRHINGHECJM-UHFFFAOYSA-N 456.348 2.380 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2ccccc2Cl)CC1 1722448437 UPAWVKLVTWOOKC-LJQANCHMSA-N 454.962 2.091 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)c[nH]2)n1CCC[C@@H]1NC(=O)NC1=O 1722468478 PBKUKFGTAZHYIG-ORAYPTAESA-N 460.336 2.016 30 10 JEEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN([C@@H]2C[C@H]3CC[C@H]2C3)CC1 1722479029 FBDMWLIJHPHIBE-LUKYLMHMSA-N 487.468 2.108 30 10 JEEE C=CC[C@H](Cn1c(C(=O)N2CCCC2)nnc1N(C)CC(=O)N1CCOCC1)c1ccccc1 1722595545 XJZNMXKREXFTNM-OAQYLSRUSA-N 466.586 2.169 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCS(=O)(=O)C1 1722659848 DZXVNMUAHDWVKU-PKOBYXMFSA-N 496.630 2.337 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 1722696668 SFTSFGAXSNGTLE-UHFFFAOYSA-N 454.466 2.333 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCCN(C(=O)CCc2ccccc2)CC1 1722700589 NFLZTIPRISHVDN-UHFFFAOYSA-N 487.608 2.238 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CCCSC)[C@H]1CCS(=O)(=O)C1 1740628240 OPUSALZGSCVHDI-SFHVURJKSA-N 459.597 2.109 30 10 JEEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCn1cc(Br)cn1 1740631210 IREUHQUKYVKENP-FQEVSTJZSA-N 461.364 2.051 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H](N1CCOCC1)C(F)(F)F 1740651056 XOMFIQCWDWBIQI-NRFANRHFSA-N 489.498 2.442 30 10 JEEE C#CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCN1CCC[C@H](C)C1 1740680216 VJONFPMIESHOEI-IBGZPJMESA-N 487.674 2.365 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccnc2)n1C[C@@H]1C[C@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1740683885 QOUVOCBROFPFDV-ACRUOGEOSA-N 482.585 2.451 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(C(=O)N3CCCC3)n2Cc2csc(C)c2)n1 1740687347 AFUUZXFVDOCNGU-UHFFFAOYSA-N 467.599 2.415 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2CC2(C(=O)N(C)C)CCCC2)CC1 1740696822 HLKIQMBPINGKEF-UHFFFAOYSA-N 464.614 2.281 30 10 JEEE C#CCSCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1740718523 PYQRQNYOSYNILK-MHECFPHRSA-N 488.658 2.475 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1740750763 UHVWEFIXJQRGEQ-LPHOPBHVSA-N 472.550 2.344 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(F)(F)C1(OC)CCOCC1 1740774761 ZYPJLZYXNOXKDM-MRXNPFEDSA-N 462.563 2.414 30 10 JEEE C=C(C)Cn1c(CCOc2ccccc2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1740783321 FAVADAKEEUBPMH-UHFFFAOYSA-N 472.571 2.116 30 10 JEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc(C)cc2)C(=O)C1 1740786759 NUSSLVKBUTUMSA-UHFFFAOYSA-N 452.559 2.268 30 10 JEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1740796116 OOMMXPDTNYZEMM-UHFFFAOYSA-N 470.549 2.095 30 10 JEEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](OCc2ccccc2)C1 1740810479 CTLASDJMBMXYFV-RTBURBONSA-N 482.006 2.159 30 10 JEEE C=C(Cl)Cn1c(Cc2ccsc2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1740814337 RGIQMHNVQQCBRS-UHFFFAOYSA-N 482.035 2.236 30 10 JEEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(F)(F)C1(OC)CCOCC1)C1CC1 1740910591 QKIOHLPCHIZKIN-OAHLLOKOSA-N 460.547 2.166 30 10 JEEE C=CCOc1ccc(Cn2c(COCC)nnc2N2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1 1740967605 LMSYDCNKFQKDAF-NRFANRHFSA-N 455.559 2.255 30 10 JEEE C[C@H](CC#N)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCN1CCSCC1 1741802250 HDRMRDSFFSRJJJ-GOSISDBHSA-N 455.636 2.239 30 10 JEEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nncn2C)C[C@H]1NC(=O)OC(C)(C)C 1743243597 CLTICNZYNZBXMK-CRAIPNDOSA-N 463.546 2.343 30 10 JEEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](OC)C(C)(C)C)C1 1746551332 DFWNTONCNFYDRO-WOJBJXKFSA-N 490.630 2.308 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2CCS(=O)(=O)C(C)(C)C)c1 1748692602 JKAOYTZMOYZBRX-LJQANCHMSA-N 487.626 2.442 30 10 JEEE C#CCCCCn1c(N2CCC[C@@H](n3ccc(C(=O)NC)n3)C2)nnc1[C@]1(OCC)CCOC1 1748730664 POVHTOWMWJNRTP-DVECYGJZSA-N 469.590 2.131 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1C[C@H](C)N1CCN(CC)CC1)[C@@H]1CCS(=O)(=O)C1 1748809251 QUFYAAPYCNRGRZ-XUZZJYLKSA-N 498.697 2.160 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1Cc1ccc(C)n(C)c1=O)[C@H]1CCS(=O)(=O)C1 1748809476 UFUPROZBCJENSC-QFIPXVFZSA-N 479.606 2.190 30 10 JEEE C#CCN(c1nnc(-c2ccccc2F)n1CC1([S@](C)=O)CCC1)[C@H]1CCS(=O)(=O)C1 1748809845 PWJVIQKRXCTTRX-DFYVNMARSA-N 464.588 2.012 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H]1N(C)CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1748811861 MQKRABKKKRERFP-UYAOXDASSA-N 456.616 2.087 30 10 JEEE C#CCN(c1nnc(C2CCCC2)n1CCc1cccc(C(=O)NC)c1)[C@H]1CCS(=O)(=O)C1 1748814417 FQNKCXVNLZJHHT-NRFANRHFSA-N 469.611 2.165 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1csc([C@H](C)OC)n1)[C@H]1CCS(=O)(=O)C1 1748818538 CGDJICYBMQYFQT-LPHOPBHVSA-N 486.623 2.103 30 10 JEEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@H](C)CN2CCOCC2)CC1 1748999047 GIWXCOURLJPQIL-JOCHJYFZSA-N 466.630 2.197 30 10 JEEE C=C(C)Cn1c(COc2ccc(C)cc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1749203671 IAIQJYKIBIICBL-UHFFFAOYSA-N 452.559 2.013 30 10 JEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)c2ccccc2OCC)CC1 1749210987 QEASOLPFVBMJLP-UHFFFAOYSA-N 496.612 2.468 30 10 JEEE C=C(C)COCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](C(=O)OC)C1 1749228802 CWASKGCHJCXIJB-ZWKOTPCHSA-N 479.578 2.179 30 10 JEEE C=CCCOCCn1c(-c2cccc3cccnc23)nnc1N1CCN(C(=O)COC)CC1 1749449960 ZXLPOIPUTBJPRA-UHFFFAOYSA-N 450.543 2.381 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 1749650107 JVEXIMMTQDEYBL-LJQANCHMSA-N 456.595 2.154 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1Cc1coc(-c2ccccc2)n1 1751209672 HAJBOZNUNFHHEB-OAHLLOKOSA-N 455.544 2.332 30 10 JEEE C#CCCCn1c(-c2cccc(C)n2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1760152770 YRHNUKWLWZBHJC-JOCHJYFZSA-N 451.619 2.293 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Cl)n1C[C@@H]1CCOC[C@@H]1OC)[C@@H]1CCS(=O)(=O)C1 1760185385 WLTMVIZBEGCCJL-QKLQHJQFSA-N 479.002 2.277 30 10 JEEE C=CCn1c(COc2cc(C)ccc2C)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1760512374 DCLXHIUAQRAGFV-UHFFFAOYSA-N 485.614 2.213 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)O[C@@H](c2ccccc2)C1 1760515569 YAWSGYJWXCYEQY-PKOBYXMFSA-N 461.526 2.194 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(CC)CC1CCN(c2ccccn2)CC1 1760523265 RKYWEBISZUQTCL-UHFFFAOYSA-N 463.590 2.119 30 10 JEEE C=CCOc1ccc(Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCN(C(C)=O)CC2)cc1 1760531390 NTRQJMFJXYKPDB-UNMCSNQZSA-N 455.559 2.284 30 10 JEEE C[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCN2S(C)(=O)=O)[C@@H]1C 1763005955 HCDKKXGPEYZJJR-YQVWRLOYSA-N 458.588 2.387 30 10 JEEE CCOc1ncccc1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccccc2C#N)CC1 1767640712 DMFCVMKCYMQKPB-UHFFFAOYSA-N 474.569 2.457 30 10 JEEE COc1cccc(Cl)c1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@](F)(C#N)C1 1768840435 HDPOHDJWTRPEQD-XIKOKIGWSA-N 456.931 2.041 30 10 JEEE CCN1C(=O)COc2ccc(-c3nn(-c4cccc(C(=O)O)c4)cc3/C=N\NC(N)=S)cc21 1857807110 UDPTVKVGPAEXBV-VROXFSQNSA-N 464.507 2.150 30 10 JEEE O=C(C1=C(O)C(=O)N(CCCO)[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2)c1cccc(O)c1 1862603153 RZGZTSGHXKAIRH-LJQANCHMSA-N 456.407 2.032 30 10 JEEE CC(C)[C@H](C(=O)Nc1c(C#N)nnn1-c1ccc2nc[nH]c2c1)N1C(=O)c2ccccc2C1=O 1870143267 FQDAXBJVZRKLPQ-LJQANCHMSA-N 454.450 2.275 30 10 JEEE CN(C)Cc1cc(=O)c(OCC(=O)Nc2sc3c(c2C#N)CCC3)cn1CCCN1CCCC1=O 1870323716 DEMXKPOIVLGOCF-UHFFFAOYSA-N 497.621 2.362 30 10 JEEE COc1ccc(OC)c(/C=N/n2c(Cc3ccc(OC)c(OC)c3)nnc2SCC(N)=O)c1 1874238089 QCYPXVRORHQQBC-WYMPLXKRSA-N 471.539 2.363 30 10 JEEE CC(C)(C)N1C[C@H](c2nnc(SCC(N)=O)n2/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)CC1=O 1874273580 DQKXHEAEYLFWDW-QFIKJYRCSA-N 479.950 2.414 30 10 JEEE CC(=O)NCc1nnc(SCC(=O)NCc2ccco2)n1/N=C/c1cn(C)c2ccccc12 1874433099 DFUQSOSTCYDDCB-KIBLKLHPSA-N 465.539 2.290 30 10 JEEE COc1ccc(Br)cc1CC(=O)N1CCC(OCC#CCN2CCN(C)CC2)CC1 1889484464 ZAHHNEJFCUHYGN-UHFFFAOYSA-N 478.431 2.259 30 10 JEEE N#Cc1nccnc1OCC1CCN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)CC1 1892000858 NJMVGBOEQVVKLO-NRFANRHFSA-N 469.567 2.209 30 10 JEEE CC(C)([C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)[S@](=O)CC(=O)NCC#N 2019033731 UHBZSNCCFKAGKE-JTMIDMFHSA-N 483.546 2.145 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2COC[C@H]2NC(=O)OC(C)(C)C)s1 2255599035 URGOWAZXEJMTFS-LSDHHAIUSA-N 452.382 2.378 30 10 JEEE CN(CCOCCNC(=O)OC(C)(C)C)C(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2255647407 YKCQRRXVOJBFGM-UHFFFAOYSA-N 455.386 2.056 30 10 JEEE CC(C)(C)OC(=O)NCC1(CNC(=O)c2csc(B3OC(C)(C)C(C)(C)O3)c2)COC1 2255844745 BFOTXPUYYPQLPR-UHFFFAOYSA-N 452.382 2.318 30 10 JEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N=c1nc(CNC(=O)OC(C)(C)C)[nH]s1 2266996008 MEUUEUAAXMRQJF-UHFFFAOYSA-N 464.353 2.438 30 10 JEEE CCN(CCN(C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nn(C)c1C)C(=O)OC(C)(C)C 2267133786 GYIZCYAEPPLVTO-UHFFFAOYSA-N 450.389 2.357 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CO)CNC(=O)c1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1Cl 2267809175 IHPGPVMYCJNVTL-GFCCVEGCSA-N 472.750 2.394 30 10 JEEE CC(C)(C)OC(=O)N1CCN(CC(=O)NCc2ccc(B3OC(C)(C)C(C)(C)O3)s2)CC1 2268648675 BWALXABPXRMILT-UHFFFAOYSA-N 465.425 2.216 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@H](O)CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2281772133 HMGPOWDWVVMOLO-HOTGVXAUSA-N 464.343 2.225 30 10 JEEE Cc1c(C(=O)N2C[C@@H]3[C@H](CCN3C(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281801979 IISAKIRDOVAWIY-HZPDHXFCSA-N 460.384 2.109 30 10 JEEE Cn1ncc(C(=O)N2[C@H]3CCC[C@@H]2CN(C(=O)OC(C)(C)C)C3)c1B1OC(C)(C)C(C)(C)O1 2282540149 FNKNAUAZYUTDBT-IYBDPMFKSA-N 460.384 2.333 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)[C@@H](C#N)C1 2282542752 HOYUHRNGOBUCSL-HNNXBMFYSA-N 460.315 2.105 30 10 JEEE Cn1cc(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C(F)F)nc1B1OC(C)(C)C(C)(C)O1 2282543257 NTUHEIYQJDLTPW-DLBZAZTESA-N 460.334 2.215 30 10 JEEE Cn1ncc(C(=O)N[C@H]2C[C@H](CNC(=O)OC(C)(C)C)C2(C)C)c1B1OC(C)(C)C(C)(C)O1 2282558024 DIIMURKQQDTQTA-ZBFHGGJFSA-N 462.400 2.389 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@@H](CO)[C@H](NC(=O)OC(C)(C)C)C1 2282595716 XXNNXLIUIWGEDF-LSDHHAIUSA-N 481.424 2.098 30 10 JEEE CC1(C)OB(c2cc(C(=O)NC3(C(N)=O)CCN(Cc4ccccc4)CC3)cs2)OC1(C)C 2282622706 JZXXLYFAXFKJBU-UHFFFAOYSA-N 469.416 2.297 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@]1(CO)CCN(C(=O)OC(C)(C)C)C1 2282673049 QFTJDDOCVPBXTB-DEOSSOPVSA-N 460.380 2.396 30 10 JEEE CC1(C)OB(c2ccccc2S(=O)(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)OC1(C)C 2282862945 KULHAQZGPURSSJ-FQEVSTJZSA-N 472.416 2.165 30 10 JEEE CC1(C)OB(c2ccc(O)c(C(=O)N[C@H]3COCCN(C(=O)OCc4ccccc4)C3)c2)OC1(C)C 2282976199 SAQWUOMZNDTUSU-HXUWFJFHSA-N 496.369 2.459 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@](Oc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)(C(N)=O)C1 2284390177 UOLOASZQISVHFQ-JOCHJYFZSA-N 465.331 2.154 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(F)cc2Cl)[C@H](O)C1 2285941281 JKKLQGISACOTRH-DLBZAZTESA-N 484.761 2.488 30 10 JEEE CC(C)(C)OC(=O)NCc1nc(CNC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)cs1 2286745517 AIUZWNQVPAQGBV-UHFFFAOYSA-N 475.380 2.187 30 10 JEEE O=C1C(=O)N(CCCN2CCOCC2)[C@H](c2ccco2)C1=C(O)c1ccc2c(c1)OCCO2 2296560883 XBCARJGAUCOCBF-OAQYLSRUSA-N 454.479 2.195 30 10 JEEE CC(C=Cc1ccccc1)=NNc1nc2c(c(=O)n(C)c(=O)n2C)n1C[C@@H](O)COc1ccccc1 2327751651 GBYCJFDWFWSIPD-HXUWFJFHSA-N 488.548 2.375 30 10 JEEE CCCNC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1N=Cc1ccc(O)c(OC)c1 2329011984 JJXVVMDLQBXUAI-INIZCTEOSA-N 474.587 2.217 30 10 JEEE COc1cc(C=Nn2c(CNC(C)=O)nnc2SCC(=O)Nc2ccccc2)ccc1O 2330718742 BMRTVQKIJMFDCQ-UHFFFAOYSA-N 454.512 2.241 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](NS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)[C@@H]2C[C@@H]21 2359273396 SRVSQYFSKDJDOS-KSZLIROESA-N 479.408 2.057 30 10 JEEE CC[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)n1c(N)nnc1SCC#N 40173429 LZHHYBMHVWUUBL-MRXNPFEDSA-N 463.589 2.240 30 10 JEEE C=CCn1c(=O)c(N2CCC(NC(=O)N[C@@H](Cc3ccccc3)C(=O)OC)CC2)nc2cccnc21 64579406 TXSPAQDROCSTEB-NRFANRHFSA-N 490.564 2.030 30 10 JEEE COc1cc(/C=C\C(=O)OCC(=O)N2CCN(C(=O)c3cccs3)CC2)ccc1OCC#N 96862989 JKZZSKLFINQSIA-ALCCZGGFSA-N 469.519 2.200 30 10 JEEE NS(=O)(=O)c1ccc(-n2cccc2C=NN=Cc2cccn2-c2ccc(S(N)(=O)=O)cc2)cc1 252624520 PPNWPBOWIOXYKK-UHFFFAOYSA-N 496.574 2.016 30 10 JEEE CCOC(=O)C1=C(N)n2c(sc(=Cc3ccc(F)cc3)c2=O)=C(C#N)[C@H]1c1ccc(F)cc1 252671187 MXOXHZUUWARKQY-LJQANCHMSA-N 465.481 2.179 30 10 JEEE CCCCCCCCO[C@@H]1O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 253609615 RNGLREVZONTJLS-BIRZXAFVSA-N 460.520 2.447 30 10 JEEE CCOC(=O)[C@H]1CCCN(C(=O)C(/C=C2/C(=O)ONN2c2ccccc2)=NC(=O)c2ccccc2)C1 585673780 SESOZAYXXBNGHU-VYDXBLCUSA-N 490.516 2.436 30 10 JEEE COc1ccc(C=NNc2nnc(SCC(=O)c3ccc(OC)c(OC)c3)n2N)cc1O 1084046570 BSVCLCDSPSXTLG-UHFFFAOYSA-N 458.500 2.144 30 10 JEEE C=CCN(C(=O)[C@@H](Cc1cccc(OC)c1)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1264995622 NFRJPPFUOAAJJM-IEBWSBKVSA-N 452.573 2.333 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CC2(O)CCCCCC2)c1 1286310731 YJIDRHZQNWPYGP-HXUWFJFHSA-N 464.570 2.371 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1CCCOc1ccccc1)[C@H]1CCS(=O)(=O)C1 1286387493 RVMPUZFWVYFEAV-IBGZPJMESA-N 453.568 2.379 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCc1nc(C)c(C)s1)[C@@H]1CCS(=O)(=O)C1 1286397292 YWUADHJEGMAUSD-ZWKOTPCHSA-N 463.629 2.115 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CCc1nccs1)[C@H]1CCS(=O)(=O)C1 1286397989 VTNOGNGPANSFGW-KRWDZBQOSA-N 475.571 2.322 30 10 JEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccnc(SC)c1 1286409581 RNGYHSZGCQMCDR-UHFFFAOYSA-N 465.608 2.476 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCCc2nc(C)no2)CC1 1286485044 BFNKXLPGLDBLSG-KDURUIRLSA-N 484.605 2.128 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2CCc2cccc(C)n2)CC1 1286491784 BKBKXOZFXCLUAC-UHFFFAOYSA-N 491.621 2.182 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCCO2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1286555107 JWDWGLLKKBEFGY-YRXWBPOGSA-N 453.609 2.019 30 10 JEEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1286630998 XZFSELFRISMNTG-LSDHHAIUSA-N 465.954 2.235 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(CC(F)(F)F)CC1 1286780376 DZULTYWPGYVWTI-UHFFFAOYSA-N 451.453 2.396 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](c2ccco2)C1 1286790990 LUWJOWKVKFVFFG-ZWKOTPCHSA-N 486.573 2.476 30 10 JEEE C=CCSCCn1c(C2CCC2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1286831178 VUEGLHHQMBEWMP-UHFFFAOYSA-N 452.606 2.105 30 10 JEEE CC(=O)N1CCN(CCn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N(C)C[C@H](C)C#N)CC1 1286888806 GKLLZLFKHHPEAU-QZTJIDSGSA-N 457.554 2.317 30 10 JEEE CC(C)(C)[S@@](=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1287085357 CWLBXILGIBDPKQ-IIABOOAYSA-N 486.598 2.211 30 10 JEEE C#CCCCn1c(N2C[C@@H]3[C@@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]3C2)nnc1C(C)(C)C 1300424461 IAYHFTYVAMJJGJ-IKGGRYGDSA-N 465.620 2.116 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1C[C@H]1CN(CC(C)C)CCO1)[C@@H]1CCS(=O)(=O)C1 1300488855 HDEQHDFJKZNPCD-DNQXCXABSA-N 499.681 2.491 30 10 JEEE C#CCN(CCOC)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CSCCS1 1300675705 VHVHNEOWMRCJTM-HNNXBMFYSA-N 451.643 2.204 30 10 JEEE C#CCSCCn1c(COc2ccc(Cl)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1300769661 HUEZTQVXNBTPRS-CRAIPNDOSA-N 464.975 2.237 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1301001755 MVEQNINAPSOBBG-CEXWTWQISA-N 493.605 2.303 30 10 JEEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1)C1CC1 1301326758 HXPCRKQWMZIYBA-FGTMMUONSA-N 451.637 2.223 30 10 JEEE C=CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H]1CCCCS1(=O)=O 1301422207 CBUVZTTYBWSFSU-INIZCTEOSA-N 472.571 2.200 30 10 JEEE C=CCn1c(-c2cc(Br)cn2C)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1301434364 LWBNKZNWAFTQNW-UHFFFAOYSA-N 471.363 2.053 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1301483712 VCJQRLJZKHUOJQ-CABCVRRESA-N 462.304 2.124 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1301490179 MJWUKLBBGOBLLG-QFIPXVFZSA-N 451.619 2.026 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2sc(C)nc2C)C1 1301556766 JGFQKZMDUUTCOV-SJORKVTESA-N 451.618 2.278 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCc2ccc(OC)cc2)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1301585863 GCZTWGUSFCBQOE-FPOVZHCZSA-N 473.643 2.346 30 10 JEEE C=CCS(=O)(=O)CCn1c(CSc2ccc(C)cc2)nnc1N1CCN(C)C(=O)[C@@H]1C 1301592981 GZOQAGJMVVGJOC-KRWDZBQOSA-N 463.629 2.147 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CCOCC2(CC2)C1 1301593589 QCLQXTTUBWRQMR-UHFFFAOYSA-N 450.536 2.214 30 10 JEEE CC(=O)N1CC[C@@H](CN(C)c2nnc(COc3ccc(C#N)cc3)n2CCCc2cnn(C)c2)C1 1301659451 DKHXXTNZJNBBQZ-QFIPXVFZSA-N 476.585 2.400 30 10 JEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 1358930442 VTOWFTXSKMXWGP-SJORKVTESA-N 451.593 2.039 30 10 JEEE C#CCN(C)c1nnc(COc2ccc(C)cc2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1358952938 DMSOYIVKFWMARY-TZIWHRDSSA-N 457.600 2.439 30 10 JEEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1C[C@H]1CCN(CC)C1)[C@@H]1CCS(=O)(=O)C1 1358967988 WZTRAQXLUZZWBU-AZUAARDMSA-N 492.045 2.479 30 10 JEEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(N(C)C)CCSC1 1359009979 COUQFLKURSOZLX-WZONZLPQSA-N 478.663 2.483 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCC(=O)NC2CCCCC2)CC1 1359043133 IIAURMWWZDYCMW-UHFFFAOYSA-N 465.602 2.088 30 10 JEEE C#CCSCCn1c(Cc2ccccc2C)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1359058472 FGTCRHULMJCNNG-FQEVSTJZSA-N 466.655 2.333 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1359102034 VQUBFAGXPJLBEU-HMFYCAOWSA-N 472.615 2.367 30 10 JEEE C=C(Cl)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1359147054 RWJHGTBOAMDLHO-HZPDHXFCSA-N 450.923 2.465 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccc(Cl)cc2)nnc1N1C[C@H](OC)[C@H](OC)C1 1359306096 VSOJDNXRRBKMGO-CALCHBBNSA-N 451.980 2.376 30 10 JEEE C[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(C)(C)C)CC1)N1CCOCC1 1360583478 DZPZXNXGFPDZTE-HXUWFJFHSA-N 495.628 2.144 30 10 JEEE CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCC(O)CC2)CCN1CCOC 1499696072 DSYOUCSVIBZGOI-HSZRJFAPSA-N 481.645 2.211 30 10 JEEE COc1ccccc1Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@H](C)OC 1504409260 DCKKHHYDSMCMDE-ROUUACIJSA-N 462.558 2.289 30 10 JEEE COc1ccccc1Cc1nnc(N2CCO[C@H](C#N)C2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1504409648 DXJWCDIRVSXHBR-SVFBPWRDSA-N 468.602 2.494 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](Oc2ccccc2)C1 1507589429 WWBVFGVVIMHEAM-RTWAWAEBSA-N 473.599 2.072 30 10 JEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cccnc1OCC 1507616464 JOQWREZYCFKRGP-SFHVURJKSA-N 456.547 2.498 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H](OC)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1507625509 JWYWBSSFYLIQKO-PWHSHALESA-N 482.647 2.007 30 10 JEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1C[C@@H]1CCCN1CC)[C@H]1CCS(=O)(=O)C1 1507633209 CIFDENQURGZHEQ-VXKWHMMOSA-N 485.654 2.183 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc2c(cc1OC(F)F)OCO2 1507669180 IWXZKNLDBIAELD-HNNXBMFYSA-N 492.504 2.022 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3)n2CC2(O)CC(OCC)C2)CC1 1507719444 AZHXXWIJIPTRBA-UHFFFAOYSA-N 474.403 2.393 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@](C)(O)C(C)C)CC1 1507735058 IRVVFPDWVLIABO-VWLOTQADSA-N 469.586 2.335 30 10 JEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCCN(Cc2ccccc2)CC1 1507754242 VKTXDWUWDDLEFU-UHFFFAOYSA-N 452.628 2.479 30 10 JEEE C=C(Br)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCC(NC(=O)COC)CC1 1507787659 GCWMWYQEBMYRDE-UHFFFAOYSA-N 488.390 2.157 30 10 JEEE C=C1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCN(C)CCOC)CC1 1507885171 UCIZHVAUUAXFGN-LJQANCHMSA-N 464.611 2.321 30 10 JEEE C=CCCOCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCOC[C@H]1C 1507964302 ALOPKDRNLICODB-MSOLQXFVSA-N 451.568 2.404 30 10 JEEE C=CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC(=O)NCC(F)(F)F 1507981368 IGLSXMGLVBHPGS-UHFFFAOYSA-N 463.464 2.366 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N(C)Cc1ccc([S@](C)=O)cc1 1508135964 DBJXABKWFWHBSQ-PMERELPUSA-N 461.613 2.258 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1508137252 LWQJYGUSOGDTCH-GHTZIAJQSA-N 477.606 2.232 30 10 JEEE C[C@H](N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N2CCOCC2)CC1)C(F)(F)F 1510140251 GVEJTZPJMGBTEW-KRWDZBQOSA-N 491.518 2.138 30 10 JEEE CC[C@H](C)NC(=O)c1cccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)[C@H](C)CC#N)c1 1513166426 ARUDRLVODGQRQX-SQGPQFPESA-N 472.615 2.495 30 10 JEEE CC(C)N1C(=O)c2ccc(C(=O)N3CCN(Cc4ccccc4)[C@H](C#N)C3)cc2S1(=O)=O 1529236015 AMAMJFHBRMGBCT-LJQANCHMSA-N 452.536 2.090 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1ccc(NC(C)=O)cc1)[C@H]1CCS(=O)(=O)C1 1539215552 FHIIDEKVZZJVTL-NRFANRHFSA-N 478.578 2.282 30 10 JEEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1C[C@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1539273620 ZPASGOAGLPDKAM-FDFHNCONSA-N 493.612 2.237 30 10 JEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CCNC(=O)c1ccc(C)c(F)c1 1539289552 ODUQUSJMSDQPKQ-UHFFFAOYSA-N 478.553 2.220 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@](C)(O)[C@@H](C)CC 1539416851 TZCMTEIGMQOWRZ-AXHZCLLHSA-N 479.622 2.470 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H](C)CN2CCCC2)CC1 1539428711 VXODBFUDNJLNBH-HXUWFJFHSA-N 484.048 2.349 30 10 JEEE C#CCSCCn1c(N2CCO[C@H](Cn3cc(C)cn3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1539530606 JYJPRDAPBFALEC-NZQKXSOJSA-N 474.631 2.095 30 10 JEEE C=CCCOCCn1c(Cc2ccccc2OC)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1540037770 RNAHKGXWCLQZAH-QHCPKHFHSA-N 460.600 2.485 30 10 JEEE C=CCNC(=O)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC[C@H](C(F)F)C1 1540873711 HFUZBTUVTHXFAL-FQEVSTJZSA-N 487.599 2.427 30 10 JEEE CC[C@@H](C)NC(=O)CCn1c(Cc2ccncc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1545703499 HFYQXINQIOXGSX-LJQANCHMSA-N 473.585 2.162 30 10 JEEE CCC[C@H](C)C(=O)NCCn1c(-c2cccn2C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1546859062 HDUJCQQBPZKXQA-OALUTQOASA-N 490.616 2.213 30 10 JEEE CCN1CCN(C[C@H](C)Cn2c(COc3ccc(C)c(C)c3)nnc2N2CCO[C@@H](C#N)C2)CC1 1547730237 DFKWTICEQYNMSG-RDPSFJRHSA-N 481.645 2.476 30 10 JEEE CO[C@]1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(C(=O)C(C)(C)C)CC2)CCOC1 1554714530 HLHFORDLKGCQGA-DEOSSOPVSA-N 452.559 2.317 30 10 JEEE N#Cc1ccc(N2CCN(C(=O)[C@@H]3C[C@@H](O)CN3C(=O)OCc3ccccc3)CC2)c(F)c1 1584347463 FFHHHAIUUAHGJN-KNQAVFIVSA-N 452.486 2.118 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC[C@@H](C(F)F)N1CCOCC1 1587631964 HFKIUQKMDFVLAX-ICSRJNTNSA-N 488.587 2.266 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2CC2(CS(C)(=O)=O)CC2)c1 1587692640 HKVKIHRAOZJZAR-IBGZPJMESA-N 485.610 2.053 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Cl)n1C[C@@H]1CCCN1CCCO)[C@@H]1CCS(=O)(=O)C1 1588045566 MSKCRQWQTHFEHE-RBUKOAKNSA-N 492.045 2.072 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC[C@](C)(O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1588050809 VFPPWKXTCILNRZ-XXBNENTESA-N 453.568 2.198 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(C(=O)N2CCCCC2)cc1 1588180401 DVSKYGUFFQHVNA-FQEVSTJZSA-N 496.637 2.026 30 10 JEEE C#CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N(C)CCS(=O)(=O)CC 1589070436 SZVHGZBGTULXOY-GOSISDBHSA-N 450.586 2.028 30 10 JEEE C#CCSCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1589110239 RPQHPIGPMWIMDW-UHFFFAOYSA-N 482.610 2.361 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N(C)CC(=O)N1CCOCC1 1589505796 OLPZPDNNJFZIBH-JPYJTQIMSA-N 485.585 2.239 30 10 JEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(OC[C@@H]2CCCCO2)CC1 1594732517 FQQFXOITBCWSEK-LEWJYISDSA-N 497.662 2.132 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCCN(c2nccs2)CC1 1595556054 MPSMZTGNTVFUKV-UHFFFAOYSA-N 455.563 2.483 30 10 JEEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](c2ccc(F)cc2)C1 1595576910 BVOQVIDEXLQNKY-GOSISDBHSA-N 484.557 2.289 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCCN(CCC)C(=O)C2)cc1 1595607484 GHYWISWGLOKJRJ-UHFFFAOYSA-N 454.575 2.478 30 10 JEEE COC[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1)OC 1619606674 AUCQBGPSCJJDKM-DEOSSOPVSA-N 492.628 2.385 30 10 JEEE COCCN1C[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2C[C@H](C)[C@@H](C)C2)CC1=O 1619930548 BTADETBZBXWLMJ-CMKODMSKSA-N 452.559 2.316 30 10 JEEE C#CCNC(=O)C1CCN(C(=O)CSCc2nc(O)c3c4c(sc3n2)CCCC4)CC1 1633880437 OFFOKMWIEFHCAI-UHFFFAOYSA-N 458.609 2.497 30 10 JEEE C#CCN(c1nnc(C)n1Cc1ccnc(OCc2ccccc2)c1)[C@@H]1CCS(=O)(=O)C1 1689982238 JYIUZZSCZRYNIR-OAQYLSRUSA-N 451.552 2.236 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CC[C@H](OC)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1689984345 NUNTXRQINXPXHA-MSOLQXFVSA-N 481.500 2.411 30 10 JEEE C#CCN1CCN(c2nnc(-c3noc4c3COCC4)n2CC(C)(C)NC(=O)OC(C)(C)C)CC1 1690122397 PSKIPEFBHZULKQ-UHFFFAOYSA-N 485.589 2.064 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2C/C=C\CC)CC1 1690138219 WDQRKDHVUDUNLW-SREVYHEPSA-N 483.642 2.479 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1ccc(COC)o1 1690288134 JOASNPYGIWXDKV-HKUYNNGSSA-N 465.576 2.268 30 10 JEEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1690632627 GPBUIEMZOCVMEV-AWEZNQCLSA-N 457.478 2.039 30 10 JEEE C=CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1690642259 FRZUIRDZUSCUJY-MOPGFXCFSA-N 474.606 2.406 30 10 JEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1690674090 OSKOAXSSQDORSR-PBHICJAKSA-N 475.619 2.285 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(C)(C)N2C[C@@H](C)C[C@H](C)C2)C1 1690686662 RPNNCIIUQPQJGZ-LWYYNNOASA-N 482.695 2.426 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(COC)CCOCC1 1705494553 BVYLUMZPGNVEQY-RTBURBONSA-N 477.606 2.488 30 10 JEEE C#CCN(c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1705563210 SNBCCIOMQGIRBS-NHCUHLMSSA-N 472.611 2.285 30 10 JEEE C#CCN(CCOC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@H]1CCS(=O)(=O)C1 1705621613 ITHQZOWCMKBMNW-DLBZAZTESA-N 450.536 2.078 30 10 JEEE C=C(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1705728552 NZGWQEGRAGHZSA-IRXDYDNUSA-N 468.624 2.444 30 10 JEEE C=C(C)COCCn1c(COc2ccccc2F)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1705739886 UXMGUGBAFVFMLS-UHFFFAOYSA-N 469.521 2.176 30 10 JEEE C=C(Cl)Cn1c(N2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)nnc1[C@]1(OCC)CCOC1 1705760214 CVTADNJJVSXCMX-CVDCTZTESA-N 481.041 2.206 30 10 JEEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1705786359 MCTFWSIXMJEUOC-RBUKOAKNSA-N 479.651 2.209 30 10 JEEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1705799223 QDNOALSRQUORFY-UHFFFAOYSA-N 452.625 2.121 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCOC1=O 1705860148 NLBKXKYRRWMECP-FQEVSTJZSA-N 484.582 2.087 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCCS(=O)(=O)C1 1705877789 DJTFKJQODNTIML-UXHICEINSA-N 457.600 2.289 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](c2ccccc2Cl)C1 1705894926 OFTCPWIRWNWSNN-SFHVURJKSA-N 458.950 2.048 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(C(=O)NC)CC1 1705897394 LRBAZHWRRRFCHV-HNNXBMFYSA-N 460.966 2.336 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)CCc1nccs1 1705932517 FRTNYAJRHJYTNG-UHFFFAOYSA-N 461.569 2.410 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCCN(C(C)=O)CC2)nnc1C1(c2ccccc2)CCC1 1705938490 ACFUMJDCXLILLH-UHFFFAOYSA-N 471.627 2.408 30 10 JEEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@@H](C)Oc2ccccc2F)n1CC(=O)N(C)C 1706928319 BEJNQHKDGVPGCJ-DLBZAZTESA-N 493.547 2.022 30 10 JEEE Cc1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCNS(C)(=O)=O)cc(N2CCCC2)n1 1707293225 DASLOJLRUIUEJO-UHFFFAOYSA-N 494.625 2.154 30 10 JEEE Cc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCNC(=O)c2ccco2)cc1C 1707550467 BLUCFZOYAXKLSG-IBGZPJMESA-N 450.499 2.226 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1CCS(=O)(=O)N(C)C 1722278707 QQOVHYFUOFQMLL-CYBMUJFWSA-N 470.393 2.066 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(Cc2csc(C)n2)n1Cc1ccccc1S(=O)(=O)N(C)C 1722297807 OTSAYYNYQODUTD-OAHLLOKOSA-N 458.613 2.390 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H](C)CN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1722360411 HBMQTLLWWAGKBL-PZJWPPBQSA-N 456.616 2.089 30 10 JEEE C#CCN(c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCCNC(C)=O)[C@H]1CCS(=O)(=O)C1 1722360846 WNGMAUSCCDTHCX-NRFANRHFSA-N 471.627 2.396 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H](c1ccccc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1722368984 UVIUOFKSVQQCAY-YPAWHYETSA-N 471.627 2.102 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CCS(=O)(=O)Cc1ccccc1 1722396894 DRLOVKITDASIGX-UHFFFAOYSA-N 479.562 2.084 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1722502020 HORNESNESKIZAP-DXIQSLLYSA-N 458.607 2.075 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 1722699139 RRGJHEHZGARIIG-PGRDOPGGSA-N 496.612 2.470 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCn2cccn2)C1 1722715790 RDCFZOVULQRJCY-IBGZPJMESA-N 456.572 2.417 30 10 JEEE C=CCSCCn1c(N2CCCC[C@@H](S(C)(=O)=O)C2)nnc1[C@]1(OCC)CCOC1 1722739408 IMUSTMRXGYNOPH-XLIONFOSSA-N 458.650 2.253 30 10 JEEE CC(C)N1CCC(O)(Cn2c(CN3CCCC3=O)nnc2N(C)Cc2cccc(C#N)c2)CC1 1723540206 CFTQRDAQWFXMBE-UHFFFAOYSA-N 465.602 2.144 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(CSc2ccccc2OC)n1CCN1CCN(C(C)=O)CC1 1740559908 XHTOSNJTLPGIGX-GOSISDBHSA-N 456.616 2.201 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1Cc1nc(C(F)(F)F)cs1)[C@@H]1CCS(=O)(=O)C1 1740624037 CXABTEDFRQIECS-CYBMUJFWSA-N 459.519 2.381 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1nc(C(F)(F)F)cs1)[C@@H]1CCS(=O)(=O)C1 1740627920 LGORTIWEFKEYCL-CHWSQXEVSA-N 475.518 2.280 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1CCn2ccnc2C1 1740629736 XZVYBEDIUSBYQJ-LJQANCHMSA-N 461.957 2.393 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cccc(C(=O)NC)c1 1740652508 BUIFQNYAPKLFIO-UHFFFAOYSA-N 489.605 2.109 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2CCN2c3ccccc3C[C@@H]2C)CC1 1740691080 UCOQVTQUDNLKRG-SFTDATJTSA-N 452.603 2.209 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H](C)N(C)c2ccccc2)CC1 1740702949 BNPKIIFTJVDTDX-IDISGSTGSA-N 494.640 2.421 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCn1cnc2ccccc21 1740725598 SGDUMPSXKBWNGL-VGOFRKELSA-N 455.588 2.320 30 10 JEEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1740746694 OHMNSFHAXGUTMT-CQSZACIVSA-N 489.465 2.308 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCN(c3ncccc3C(N)=O)CC2)nnc1C(C)(C)C 1740765994 FNQPSOKPROTWGR-MJGOQNOKSA-N 453.591 2.377 30 10 JEEE C=C(C)COCCn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)CC(=O)N1CCOCC1 1740792982 NVNWXLNSMYCPHP-UHFFFAOYSA-N 466.542 2.488 30 10 JEEE C=CC1CCN(c2nnc(CCc3ccc(OC)cc3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1740841489 YMBXXCUFXJYUAX-UHFFFAOYSA-N 474.627 2.414 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCN(C(C)=O)C[C@H]1C 1740954826 SGXBYLNLWWKFJW-OAHLLOKOSA-N 475.391 2.375 30 10 JEEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1740962895 RPRYYYABZXYOCV-UHFFFAOYSA-N 470.574 2.259 30 10 JEEE C=CCSCCn1c(-c2cnccn2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1741000420 QPOAJXNZGPDJQO-RXVVDRJESA-N 470.647 2.033 30 10 JEEE C=CCSCCn1c(N2CCC3(CC2)COC(=O)N3)nnc1[C@@]1(OC(C)C)CCOC1 1741005028 RPMBNQNCPJPMOA-OAQYLSRUSA-N 451.593 2.317 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccnc(OCC(F)(F)F)c1 1741904100 IEKGEIVKPKDULK-QWHCGFSZSA-N 475.497 2.011 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCN1CCOC[C@@H]1C 1748665344 PPLWDPCCLOKMBK-OALUTQOASA-N 463.586 2.415 30 10 JEEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1748724801 ILFVKZIDYMAOBZ-UHFFFAOYSA-N 455.651 2.199 30 10 JEEE C=CCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1749638031 UGQLEIOWLKXZPM-FQEVSTJZSA-N 453.591 2.106 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1749689228 ASUSPTLDBSDHGZ-JOCHJYFZSA-N 482.629 2.432 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](N2CCOCC2)C(F)(F)F)C1 1749708028 HGZIBXMJUKSMDD-KZNAEPCWSA-N 459.513 2.217 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@@H](C)c1ccc(F)c(F)c1 1749731813 KXBJUIYMUIKDGN-GUYCJALGSA-N 453.515 2.306 30 10 JEEE C=CCSCCn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1749758745 WXPFXSKSYJGVFJ-UHFFFAOYSA-N 482.654 2.368 30 10 JEEE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3cccc(C#N)c3)n2CC2(S(C)(=O)=O)CCC2)C1 1749790437 HSLKKHGJUBFYTF-LJQANCHMSA-N 470.599 2.089 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2CCCNC(=O)C2CCC2)c1 1760127664 HVJLHUJCDKHVGU-OAQYLSRUSA-N 464.570 2.492 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1CC1(COC)CCOCC1)[C@H]1CCS(=O)(=O)C1 1760184017 GJOHCDGTIPIVJQ-FQEVSTJZSA-N 472.611 2.323 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H](C)Oc1ccccc1OC)[C@@H]1CCS(=O)(=O)C1 1760189210 GOIKANLXCZOETM-TZIWHRDSSA-N 495.605 2.367 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@H]2CCC[C@H]2OC)CC1 1760261484 MMYYTMNSOPNHAX-PCCBWWKXSA-N 488.633 2.157 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](C(C)C)N2CCCC2)CC1 1760271390 WSSLAAGPHXJKAY-HSZRJFAPSA-N 480.661 2.226 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2ccc3c(c2)OC(C)(C)O3)CC1 1760273387 RGJBDHDJBNEHBC-UHFFFAOYSA-N 453.543 2.336 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)c1cc(OC)cc(OC)c1 1760280696 HRUDTCHFDOXBEW-OAHLLOKOSA-N 450.586 2.332 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C)C(C)(C)C1 1760322417 SGRWDAYYZPJZJN-NMLBUPMWSA-N 481.663 2.465 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(C)C)C(=O)C1 1760327235 FANIHIQETZWKKZ-KIZRIRGWSA-N 461.607 2.288 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1760342988 SHLJYJNLNUYYJB-SIKLNZKXSA-N 488.658 2.319 30 10 JEEE C=C(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(S(=O)(=O)CC)CC1 1760344977 XMFGDPWEOOJVJM-UHFFFAOYSA-N 456.572 2.172 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@]1(O)CCOC1 1760481755 GTSMDJZFDPNADM-HFMPRLQTSA-N 453.543 2.218 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2nc(C(C)C)cs2)C1 1760535645 UWUCYSLZLCVXPJ-CABCVRRESA-N 454.622 2.298 30 10 JEEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)COc2ccc(F)cc2)CC1 1760565378 WBBFIWCIPPIGEF-IBGZPJMESA-N 488.589 2.015 30 10 JEEE CC(=O)Nc1ccc(Cn2c(COc3ccc(F)cc3)nnc2N2CCO[C@H](C#N)C2)cn1 1760630331 FGHJXQWPXXPBOE-LJQANCHMSA-N 451.462 2.127 30 10 JEEE C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCNS(C)(=O)=O 1761522103 IEKLINHKNQUELW-FOIQADDNSA-N 450.540 2.236 30 10 JEEE CCC[C@H](C)NC(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cnnn2C)C1 1765542810 FYJSRFNXAXCOBL-ICSRJNTNSA-N 491.600 2.427 30 10 JEEE CC(C)(C)OC(=O)NCCc1cnc2c(C(=O)ON3C(=O)c4ccccc4C3=O)cnn2c1 1772793225 LKMGJGKQQPQYTR-UHFFFAOYSA-N 451.439 2.165 30 10 JEEE O=C(O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCN2CCOCC2)cc1 1862608114 HBXMDVYIDGEUIM-JOCHJYFZSA-N 494.500 2.067 30 10 JEEE COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CCCNC=O)cc(OC)c1OC 1862635917 VAZRNFOAWYKGSA-OAQYLSRUSA-N 498.488 2.156 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)Nc2nc(C)c(C(C)=O)s2)cn1C[C@H](C)O 1870587019 YMECVXKSXXQQGU-HNNXBMFYSA-N 474.583 2.388 30 10 JEEE C#CCOc1cn(Cc2ccc(S(N)(=O)=O)cc2)c(CNc2ccc(NC(C)=O)cc2)cc1=O 1871008415 VHGCRJGEUIZJRM-UHFFFAOYSA-N 480.546 2.127 30 10 JEEE COc1ccc(OCCCc2nnc(SCC(N)=O)n2/N=C/c2ccc(C(=O)O)cc2)cc1 1874220187 YXTOXLQKQUHMKF-ZMOGYAJESA-N 469.523 2.456 30 10 JEEE CCN1CCN(CC#CCOC2CCN(C(=O)c3ccc(S(=O)(=O)C(C)C)cc3)CC2)CC1 1890330489 GNOWZRUVNUCMJT-UHFFFAOYSA-N 475.655 2.131 30 10 JEEE CC(C)N1C(=O)CS[C@H](C(=O)N(C)C2CN(c3cnccn3)C2)[C@@H]1c1ccc(C#N)cc1 1890394649 IIWISOVESNESAZ-VXKWHMMOSA-N 450.568 2.089 30 10 JEEE Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CCC(=O)N1CCC[C@H](COc2cc(C#N)ccn2)C1 1891392494 WSSJAPNAPSFCOR-LEWJYISDSA-N 485.610 2.376 30 10 JEEE CN(Cc1sccc1B1OC(C)(C)C(C)(C)O1)S(=O)(=O)CCN1C(=O)c2ccccc2C1=O 1950892051 BQYMAXWBYWDEBX-UHFFFAOYSA-N 490.412 2.105 30 10 JEEE CC(C)([C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)[S@](=O)CC(=O)NCC#N 2019046737 UHBZSNCCFKAGKE-ZCWHBTPQSA-N 483.546 2.145 30 10 JEEE CC(C)(C)OC(=O)N[C@H](C[C@@H]1CCCO1)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2180981061 PSQBIYYUJPTNBF-JKSUJKDBSA-N 462.356 2.177 30 10 JEEE CC1(C)OB(/C=C/CNS(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)OC1(C)C 2245252873 ICPBMCQBIYSDPT-MAIVGLDJSA-N 466.340 2.118 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2COC[C@H]2NC(=O)OC(C)(C)C)s1 2255599034 URGOWAZXEJMTFS-HUUCEWRRSA-N 452.382 2.378 30 10 JEEE CC(C)(C)OC(=O)NC1CC(O)(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2255834266 MAVFUNHPGYEMEA-UHFFFAOYSA-N 452.382 2.195 30 10 JEEE COC1(C(=O)NCc2cc(B3OC(C)(C)C(C)(C)O3)cs2)CN(C(=O)OC(C)(C)C)C1 2256604578 DXDYWUSWEBIKKQ-UHFFFAOYSA-N 452.382 2.299 30 10 JEEE C[C@@H]1C[C@@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)CN(C(=O)OC(C)(C)C)C1 2256614261 MHAWJKDXAHOAKT-CHWSQXEVSA-N 452.386 2.091 30 10 JEEE CN(C(=O)OC(C)(C)C)[C@@H]1COC[C@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2256624967 ZKAGURRONBAAQV-CHWSQXEVSA-N 453.370 2.263 30 10 JEEE CC(C)(C)OC(=O)N1CCN(c2nccc(B3OC(C)(C)C(C)(C)O3)c2F)[C@H](C(=O)O)C1 2266073230 WKACTWNVBYGXKZ-AWEZNQCLSA-N 451.304 2.030 30 10 JEEE Cc1sc(C(=O)NC2(CCO)CN(C(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2267119105 RJAYXYCGYBQTAW-UHFFFAOYSA-N 466.409 2.457 30 10 JEEE CO[C@H]1CN(C(=O)c2cc(C)c(B3OC(C)(C)C(C)(C)O3)o2)C[C@@H]1NC(=O)OC(C)(C)C 2267131141 XKHPYJQFLZSYQP-HOCLYGCPSA-N 450.341 2.251 30 10 JEEE CN(C[C@@H]1CN(C(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)CCO1)C(=O)OC(C)(C)C 2267191414 CEXYTXBQODLFLO-CQSZACIVSA-N 467.397 2.150 30 10 JEEE C[C@H]1CN(Cc2ccccc2)C[C@H]1NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2267473484 GSJZYXJUOZFKTI-FUHWJXTLSA-N 477.461 2.382 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](NC(=O)c2cccc(Cl)c2B2OC(C)(C)C(C)(C)O2)C1 2267915032 RYWONUHPJCJXGN-CVEARBPZSA-N 466.771 2.349 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](O)CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2281772135 HMGPOWDWVVMOLO-JKSUJKDBSA-N 464.343 2.225 30 10 JEEE CC(C)(C)OC(=O)N1CC(CCO)(NC(=O)c2ccc(F)cc2B2OC(C)(C)C(C)(C)O2)C1 2281785781 QBIXIZYEVNHPAH-UHFFFAOYSA-N 464.343 2.227 30 10 JEEE CC1(C)OB(c2cc(F)ccc2C(=O)NC[C@@H]2CNCCN2Cc2ccccc2)OC1(C)C 2281792239 TXCLGYIMDQWTPG-FQEVSTJZSA-N 453.367 2.329 30 10 JEEE Cn1cc(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccco2)c(B2OC(C)(C)C(C)(C)O2)n1 2281973451 ASLWCTJHJFPKEY-OAHLLOKOSA-N 460.340 2.308 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2CN(C(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)C(C)(C)[C@H]2C1 2281982416 MXGADFYDDXLSJR-GJZGRUSLSA-N 460.384 2.426 30 10 JEEE C#CCN(C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C1CCN(C(=O)OC(C)(C)C)CC1 2281990416 MVGNIBPKLWZJCQ-UHFFFAOYSA-N 458.368 2.184 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@](F)(CNC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)C1 2282014711 RXKKDQCDEWTJIY-NRFANRHFSA-N 485.387 2.148 30 10 JEEE C[C@@H](O)CN(CCNC(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1F)C(=O)OC(C)(C)C 2282400885 JMISLAMVNRNRKC-OAHLLOKOSA-N 466.359 2.473 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@]2(F)CCC[C@]2(NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2282584209 BUPMEJFFFJAVHZ-VXKWHMMOSA-N 464.347 2.320 30 10 JEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1C[C@H](C)C[C@@H](NC(=O)C(F)(F)F)C1 2282831987 HQOWNMOAHLANBD-DGCLKSJQSA-N 496.382 2.433 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCCN(CC(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)C1 2283953459 SZEXUBIJOOVCMK-OAHLLOKOSA-N 480.440 2.048 30 10 JEEE CCN(C(=O)OC(C)(C)C)[C@@H]1COC[C@@H]1C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2283961973 GOEKLARJZXVOCT-JKSUJKDBSA-N 481.424 2.331 30 10 JEEE CC(C)(C)OC(=O)NC[C@H](O)CCC(=O)NCCc1ccccc1B1OC(C)(C)C(C)(C)O1 2283973932 KIVUDVATIIAGJL-GOSISDBHSA-N 462.396 2.310 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@@H](OCC(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C1 2284050328 YQSZOWGZVAVKBD-OAHLLOKOSA-N 481.424 2.475 30 10 JEEE Cn1nccc1C(=O)N1CCC([C@@H]2CN(c3ccc(C#N)c(C(F)(F)F)c3)C[C@@H]2C(N)=O)CC1 2297650901 VZKPLIMZCOYDFD-ROUUACIJSA-N 474.487 2.401 30 10 JEEE CC#CCN(CC(=O)N1C[C@@H](NC(=O)OC(C)(C)C)CC[C@@H]1C(=O)O)C(=O)OC(C)(C)C 2316057871 QWBPANAKWJDRAN-JKSUJKDBSA-N 453.536 2.216 30 10 JEEE Cc1nn(C)c(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H]3C[C@H]23)c1B1OC(C)(C)C(C)(C)O1 2359277942 IODVCIYJOVHWLS-OWCLPIDISA-N 460.384 2.155 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(=NCCN2CCCN(C(=O)OC(C)(C)C)CC2)[nH]1 2362166253 AWFBKHAPPGQODO-UHFFFAOYSA-N 460.428 2.466 30 10 JEEE CC(C)(C)OC(=O)N1CC(OCCNC(=O)c2cc(F)ccc2B2OC(C)(C)C(C)(C)O2)C1 2362211157 WAOQWWPSRFKWGI-UHFFFAOYSA-N 464.343 2.491 30 10 JEEE COc1nc(N2CCN(CCNC(=O)OC(C)(C)C)CC2)ccc1B1OC(C)(C)C(C)(C)O1 2365347951 KGWKTHMYFYMYTI-UHFFFAOYSA-N 462.400 2.036 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(C(=O)OC(C)(C)C)[C@H]2CCC[C@H]21 2367687627 UQRYKHMLKDKQLP-SJORKVTESA-N 460.384 2.333 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](C(=O)O)N(c2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)C1 2371995892 HNDCOVZWNQQHTG-CJNGLKHVSA-N 465.331 2.467 30 10 JEEE COC(=O)c1c(NC(=O)CSc2nnc(N/N=C/c3cccc(O)c3)n2N)sc2c1CCC2 20915630 UFMPKGSKTINRPL-LSFURLLWSA-N 487.567 2.211 30 10 JEEE COc1ccc(OC)c([C@@H]2/C(=C(/O)c3c(C)nn(C)c3C)C(=O)C(=O)N2CCCN(C)C)c1 102746113 SWKFCJMAEMCTCR-SADKCHQCSA-N 456.543 2.428 30 10 JEEE N#Cc1c[nH]nc1NC(=O)c1cc(I)cc(I)c1O 701293213 UQQOOGGHDHFAGU-UHFFFAOYSA-N 480.003 2.448 30 10 JEEE Cc1nn(C)c(C)c1NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1 726315892 PNTWGAIJAWTXMB-BWAHOGKJSA-N 460.560 2.207 30 10 JEEE N#Cc1ccc(CN2C(=O)CN(CN3CCN(C(=O)COc4ccc(Cl)cc4)CC3)C2=O)cc1 726587107 UPXSBVZRBNOZAJ-UHFFFAOYSA-N 481.940 2.157 30 10 JEEE C#CCN(C(=O)c1cc(S(=O)(=O)N2c3ccccc3C[C@@H]2C)ccc1F)[C@H]1CCS(=O)(=O)C1 729333584 ZGOLTHKGOKCZSE-WMZOPIPTSA-N 490.578 2.228 30 10 JEEE COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)ON=Cc1ccc(N2CCOCC2)cc1 852054669 DWTCEPNFFOSKCI-QGZVFWFLSA-N 490.582 2.160 30 10 JEEE C=CCOC[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@@H](C)C2)c1)C(=O)OC 1155779367 KXBLEVFPWQKCAA-PBHICJAKSA-N 458.964 2.235 30 10 JEEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C)Sc1ccccc1)[C@H]1CCS(=O)(=O)C1 1286390010 VECCKSKQCTULDL-AOIWGVFYSA-N 473.624 2.037 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1C[C@@H](c1cccc(C)c1)N1CCOCC1 1286466808 KHQHUPYFBXIDJH-GOTSBHOMSA-N 453.587 2.250 30 10 JEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2csc(CC)n2)CC1 1286493584 DZFGBEPZFYELSC-UHFFFAOYSA-N 461.661 2.124 30 10 JEEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2cccc(Cl)c2)CC1 1286585421 GPXNZYZXEYTNFP-INIZCTEOSA-N 453.012 2.440 30 10 JEEE C=C(C)Cn1c(COc2cccc(C)c2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1286600716 GAUXFSPHLARMNX-NRFANRHFSA-N 475.615 2.372 30 10 JEEE C=CCCOCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(CC)[C@H](C)C1 1286709931 IRDLGVUHFBUXHY-GOSISDBHSA-N 451.575 2.315 30 10 JEEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N2C[C@@H](O)C[C@@H](O)C2)c1 1294456155 NPWVYPMPZUCJDH-KDURUIRLSA-N 450.944 2.289 30 10 JEEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 1300358457 VOCQLNSYFRCDSN-HXUWFJFHSA-N 459.620 2.313 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CCSC1(C)C)[C@@H]1CCS(=O)(=O)C1 1300482600 GUCNWMCLLBURSK-YYDVJCTNSA-N 496.699 2.477 30 10 JEEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CC1(C)C)[C@@H]1CCS(=O)(=O)C1 1300484857 UWRBCSGSDFQGLO-ZWKOTPCHSA-N 476.624 2.021 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1CCCN1CCCCCC1=O)[C@H]1CCS(=O)(=O)C1 1300501764 NKAOSZUYBDAWLR-FQEVSTJZSA-N 489.667 2.350 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccc(F)c(COC)c2)CC1 1300715854 GLJYAVHIQLXWNQ-AREMUKBSSA-N 499.587 2.230 30 10 JEEE C=C(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)CCN1CCOC(C)(C)C1 1300946176 NZPAKDHVFNNMEL-UHFFFAOYSA-N 461.636 2.361 30 10 JEEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1301135452 KTYVBFCEKDSIDU-UNMCSNQZSA-N 485.677 2.495 30 10 JEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1 1301197836 ZXJTXADDNOONDW-INIZCTEOSA-N 481.022 2.470 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)Nc2ccccn2)n1C[C@]1(O)CCOC1 1301340570 IWPISDZGZVAQHT-XMMPIXPASA-N 459.510 2.141 30 10 JEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2ccc(Cl)cc2)C1 1301458072 NDGGFVRCBLLNND-QZTJIDSGSA-N 467.979 2.028 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1301483146 IFCWUIIKBLGYLT-QGZVFWFLSA-N 468.583 2.117 30 10 JEEE CCN(C(=O)OC(C)(C)C)[C@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H](C)C#N 1313544821 HIIMUTRIHFCCEN-GVDBMIGSSA-N 468.624 2.422 30 10 JEEE CCN(CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(C#N)C1)C(=O)OC(C)(C)C 1313801585 HLJVBJVTCQKFEV-IIBYNOLFSA-N 483.639 2.275 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCN1CCCCC1=O 1358891438 GPKYLYMJUSNOTL-RBUKOAKNSA-N 474.606 2.447 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CC1(CCOC)CC1)[C@H]1CCS(=O)(=O)C1 1358959394 IDDHZPFJLIRETK-IBGZPJMESA-N 458.584 2.397 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCSCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1358963809 OITVCJHEFWLXIY-WOJBJXKFSA-N 460.625 2.342 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1c(C)nn(Cc2ccccc2)c1C 1358967643 OWBQFUSANUZOGA-UHFFFAOYSA-N 455.566 2.497 30 10 JEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN(C(C)C)C(C)C 1358975685 AJKTXORUJGUWTQ-UHFFFAOYSA-N 455.632 2.430 30 10 JEEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc2c(c1)C(=O)NCC2 1358997340 OTNOAANJBZBYAM-UHFFFAOYSA-N 472.574 2.067 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(OCC)cc3)n2CC2([S@@](C)=O)CC2)CC1 1359029848 IYZVVHIZGPOIRI-AONNBLCTSA-N 471.627 2.483 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H]2CCC[C@@H](O)C2)CC1 1359042655 ORJIMBJLLBYSKL-WIYYLYMNSA-N 481.597 2.479 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CCCc2cnn(C)c2)CC1 1359045808 UQHVYVNUGHRSGN-UHFFFAOYSA-N 463.561 2.340 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2CCCN2C[C@@H](C)O[C@H](C)C2)CC1 1359046279 LMRPHJVUWHTYPX-WOJBJXKFSA-N 484.670 2.396 30 10 JEEE C#CCSCCn1c(CC2CCCC2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1359059315 JMGSWEFFYYFLLH-UHFFFAOYSA-N 486.686 2.318 30 10 JEEE C#CCSCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCO[C@@H](CNC(C)=O)C1 1359059427 NAMRYLFGCQXSHE-IBGZPJMESA-N 452.584 2.058 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1359098505 BQOUSAVFJMCAMH-GMAHTHKFSA-N 486.661 2.398 30 10 JEEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](N2CCCC2=O)C1 1359122493 XOQLTEDGQUDDEW-ROUUACIJSA-N 460.579 2.364 30 10 JEEE C=C(C)COCCn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1359137617 VFUDSCATJGJMOA-NHCUHLMSSA-N 460.623 2.245 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(C(F)(F)F)CC1 1359329251 CUMZWNNFNFUBGO-UHFFFAOYSA-N 496.519 2.300 30 10 JEEE C=CCS(=O)(=O)CCn1c(CSc2ccc(C)cc2)nnc1N1CCC(C(N)=O)CC1 1359335954 ZROIYOSHZHOSPX-UHFFFAOYSA-N 463.629 2.181 30 10 JEEE C=CCN(CC=C)[C@@H](CNC(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)C(C)C 1464868662 GYTAWBWSQLPYCB-OALUTQOASA-N 457.637 2.225 30 10 JEEE C#CCN(C(=O)C1=NN(c2ccccc2)C(=O)[C@H](C)N1)C1CCN(C(=O)OC(C)(C)C)CC1 1471882395 MZFIVYPNOLRQGH-KRWDZBQOSA-N 453.543 2.186 30 10 JEEE CN(C)C(=O)CCn1c(Cc2ccccn2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1503367309 DQAFBABBLLYYSZ-UHFFFAOYSA-N 472.597 2.326 30 10 JEEE COCCN(CCC#N)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ccc(F)cn1 1504887952 GSOZUHNASQQQRB-UHFFFAOYSA-N 465.537 2.401 30 10 JEEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1507580339 AQGNBAKCYNWCNN-INIZCTEOSA-N 459.480 2.407 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1C[C@](C)(O)C1CC1)[C@H]1CCS(=O)(=O)C1 1507627585 KLPPDIBNMFSMFC-JTSKRJEESA-N 479.002 2.395 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCN1CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1507632879 BFFFZESGABTZCX-KNQAVFIVSA-N 473.618 2.367 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1CC1(SC)CCOCC1)[C@H]1CCS(=O)(=O)C1 1507632915 BOLIIHWNNXGHRI-KRWDZBQOSA-N 454.662 2.406 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@](C)(O)c1ccco1 1507662299 IHGSTMWSVBYAGY-DEOSSOPVSA-N 481.578 2.159 30 10 JEEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(Oc2cncc(Cl)n2)CC1 1507832313 YHOKTTCVOYHLSG-CQSZACIVSA-N 452.968 2.248 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CC[C@H](CO)O1 1507997321 RFFHBFYDVYSVIH-LEWJYISDSA-N 450.543 2.118 30 10 JEEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(NC(=O)N(C)C)cc1 1508036908 SBPFNDHQMADKCI-UHFFFAOYSA-N 455.563 2.295 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(F)(F)F)n1 1508040253 VHIUSAWRJANOPM-AWEZNQCLSA-N 459.494 2.281 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCCC1(F)F 1508040551 ZFJTVTHBJSQCJO-IAGOWNOFSA-N 477.578 2.075 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H]2CCCOC2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1508105048 OYGSIHQQXOHYME-XUVXKRRUSA-N 456.543 2.145 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1508143714 JNOJSHZNBRFZEG-LJQANCHMSA-N 475.590 2.200 30 10 JEEE CC(C)CCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1CC1(S(C)(=O)=O)CCCC1 1509296718 CFQJNBXTXLHHRW-QGZVFWFLSA-N 450.609 2.353 30 10 JEEE CS(=O)(=O)c1cccc(-c2nnc(N(CCC#N)CC3CC3)n2C[C@@H]2CCCS(=O)(=O)C2)c1 1519505427 AGZCMCUABRIZJQ-SFHVURJKSA-N 491.639 2.303 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2CCN2CCCC2)c1 1539040274 PLFIDHJHRABWBE-SANMLTNESA-N 480.613 2.471 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](C)CN1CCCC1 1539416355 MNBHLYZNWOILOW-RTWAWAEBSA-N 490.649 2.404 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](C)Oc2ccc(Cl)cc2)CC1 1539488113 HOKVLJGXTUVVMF-GOSISDBHSA-N 499.015 2.487 30 10 JEEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 1539521058 WZPBQRRSSZUYCA-NRFANRHFSA-N 488.683 2.461 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCNC(=O)c1cc[nH]n1 1539569368 CBULVTRJPOFIHC-MHECFPHRSA-N 482.589 2.495 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CCC(=O)N2)n1CCCN1CCN(c2ccncc2)CC1 1539667303 GQPVPRGBQBNTDP-NRFANRHFSA-N 452.607 2.239 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCC(=O)N2)n1CC1(S(C)(=O)=O)CCC1 1540179806 AGQHIXOBSJTEEZ-LJQANCHMSA-N 457.600 2.432 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1540902275 FMXYEIVYCGOZMO-UHFFFAOYSA-N 455.588 2.130 30 10 JEEE C=CCSCCn1c(COc2cc(C)ccc2C)nnc1N1CCN(S(C)(=O)=O)CC1 1540920557 ZATJCHNZEQWOLI-UHFFFAOYSA-N 465.645 2.475 30 10 JEEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H](c2ccc(C)cc2)[C@@H](C)S(C)(=O)=O)c1 1561518961 KWDXRVCGFOZHGS-OXQOHEQNSA-N 450.582 2.364 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1cccnc1OCCCC)[C@@H]1CCS(=O)(=O)C1 1588053579 FXHLUIYYWOYJKN-LEWJYISDSA-N 487.626 2.421 30 10 JEEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1c(C)nn(C)c1C 1588158611 ICDSQQTXVSAAJX-UHFFFAOYSA-N 470.625 2.114 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCN2C[C@H](C)O[C@@H](C)C2)CC1 1588780377 NTGUIJPQNBVQBZ-OALUTQOASA-N 458.010 2.248 30 10 JEEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCSCc2ccc(C)cc2)CC1 1588865330 TWVBRKMEXSZQMI-UHFFFAOYSA-N 452.628 2.398 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OC)n2C[C@@H]2CCC[C@@H](O)C2)CC1 1588968372 KEWMDQUWGWFQFT-TZIWHRDSSA-N 481.597 2.383 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc(OC)c(OC)c1OC 1589149902 AWAHCNDNMXQWCR-QMHKHESXSA-N 491.614 2.149 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@](C)(O)CCOC 1589163949 OTSVSCXHEYPYNG-DHIUTWEWSA-N 474.631 2.326 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(O)(c2ccccc2)CC1 1589494636 NKCWZQTZERHFEG-SBHAEUEKSA-N 489.642 2.358 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1595517427 YEVYGWKVTMAGCC-LJQANCHMSA-N 451.575 2.138 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCN2C[C@@H](C)O[C@H](C)C2)C1 1595674778 TZEXSONSOZIHKM-VAMGGRTRSA-N 469.590 2.206 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCC(c2nnc3n2CCCC3)CC1 1595805737 SWJSVGJYACXMTB-UHFFFAOYSA-N 461.636 2.389 30 10 JEEE C#CCN(C(=O)c1n[nH]cc1I)C1CCN(C(=O)OC(C)(C)C)CC1 1596147610 XQZDKHZGSSBWAT-UHFFFAOYSA-N 458.300 2.489 30 10 JEEE COc1ccccc1C1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)CC1 1619379268 BVKGVSHXCDMECR-VFNWGFHPSA-N 462.551 2.071 30 10 JEEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)NC[C@@H](O)CO)ccc1Cl 1646228246 UZPYUXIBFMQESC-CQSZACIVSA-N 459.351 2.458 30 10 JEEE C#CCN(C(=O)CNC(=O)c1ccc(OC)c(OC)c1)C1CCN(C(=O)OC(C)(C)C)CC1 1651973123 FOACXZSVTKPIMW-UHFFFAOYSA-N 459.543 2.295 30 10 JEEE C#CCN(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1689949566 IXWLSGFPRLCHRW-CYBMUJFWSA-N 470.368 2.198 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1Cc1ccc(C[S@](C)=O)cc1)[C@H]1CCS(=O)(=O)C1 1689980064 LDGBSMCABOKMRX-FNPPKIIXSA-N 462.641 2.345 30 10 JEEE C#CCN(c1nnc([C@H]2COc3ccccc3O2)n1CCCSC)[C@@H]1CCS(=O)(=O)C1 1689989608 HCFRMWHHZWFREX-VQIMIIECSA-N 462.597 2.170 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1Cc1cnccc1OC)[C@@H]1CCS(=O)(=O)C1 1689996572 KCMYQBSOALBBRP-LJQANCHMSA-N 485.541 2.075 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H](c2ccsc2)N(C)C)CC1 1690110477 NUGWPGOEVXFZTN-HXUWFJFHSA-N 457.648 2.316 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2Cc2ccc3c(c2)CCCO3)CC1 1690137521 BYDGGJQEPFGBSK-IBGZPJMESA-N 481.597 2.341 30 10 JEEE C=CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1690480898 QSUUPSBCJVPAOY-MRXNPFEDSA-N 466.633 2.218 30 10 JEEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](c2ccccc2)C1 1690508290 FPYIWCMDUTVYJK-NHCUHLMSSA-N 475.615 2.198 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccnc(C(F)(F)F)c2)C1 1690685636 AWVPWVMHYXAGJI-HIFRSBDPSA-N 474.509 2.132 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1690715642 PYQCWXOAENADRX-RBUKOAKNSA-N 496.655 2.259 30 10 JEEE C=CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)OC[C@@H]2C1 1690746871 LTFWFYBLAUBFDB-IRXDYDNUSA-N 494.618 2.147 30 10 JEEE CC(=O)NC[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCSCC2)C1 1690932805 FKNCCAIEDVYAMU-FQEVSTJZSA-N 453.616 2.218 30 10 JEEE CC(C)C(=O)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCc2cnn(C)n2)CC1 1691416812 BABGVIJKZCEQRQ-UHFFFAOYSA-N 491.600 2.185 30 10 JEEE Cc1nn(Cc2ccccc2)c(C)c1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C[C@H](C)C#N 1693407678 BWURYADITAZOMH-AEFFLSMTSA-N 484.630 2.394 30 10 JEEE CN(C)S(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(CC#N)CC1 1696622886 FLTXUEIPSGSMCL-UHFFFAOYSA-N 470.397 2.057 30 10 JEEE C#CCCCn1c(Cc2cn3ccccc3n2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1705536599 RYMSSGNJLZIFGC-VQTJNVASSA-N 463.586 2.298 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1Cc1ncccc1C)[C@@H]1CCS(=O)(=O)C1 1705560263 FNAJAFUCPWRZGZ-LJQANCHMSA-N 451.552 2.332 30 10 JEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H](c1ccc(C)o1)N1CCOCC1 1705585009 HUWDCCTXRNNMBH-FQEVSTJZSA-N 492.605 2.317 30 10 JEEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 1705637624 FLKBHVPFBJTHNK-IBGZPJMESA-N 468.606 2.081 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@](C)(O)c2ccsc2)CC1 1705648592 UYPBHMASYJCPGY-FDDCHVKYSA-N 457.600 2.107 30 10 JEEE C=C(C)Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1705728114 WNXLZABTFURUII-AVRDEDQJSA-N 454.623 2.095 30 10 JEEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](c2ccc(F)cc2)O[C@H](C)C1 1705754898 HUPJQKRLGASMOX-ATZDWAIDSA-N 499.996 2.469 30 10 JEEE C=CCCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1705817482 LIYVHWAJOAKVSZ-MOPGFXCFSA-N 453.609 2.117 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1cccc(C)c1 1705930615 RDZMRDGPNMPRKE-UHFFFAOYSA-N 454.556 2.471 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cn2ccc3ccccc32)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1705938099 MRMWWMDRIUZSRU-SFHVURJKSA-N 486.598 2.159 30 10 JEEE COC(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2C[C@H](C)O[C@H](C)C2)C1 1711444367 IEDIWZSTZSJNNT-LVCYWYKZSA-N 452.559 2.315 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H](c1ccccc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1722360204 FASANEVAQVUPSF-VXKWHMMOSA-N 464.595 2.270 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CCCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1722370489 NWLRHJVWQQMEJZ-HXUWFJFHSA-N 486.573 2.218 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H](C)CN1CCN(CC)CC1 1722376432 OHGPHIRFUSBFGG-IBGZPJMESA-N 486.462 2.393 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCCc2cccc(F)c2)CC1 1722441928 XAMRMNOZYPOAOC-UHFFFAOYSA-N 454.550 2.154 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@H]2CCN(c3ccccc3F)C2)CC1 1722450370 FZQKHIDMQCIWQD-IBGZPJMESA-N 468.577 2.446 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2OC)CC1 1722483105 FXMIWHNYOLKQCQ-HNNXBMFYSA-N 461.364 2.473 30 10 JEEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](c2nc(CC)cs2)C1 1722701971 IJMCGTISGJUSSS-MRXNPFEDSA-N 457.604 2.106 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC2(CC1)OCc1ccccc12 1722725744 RPWIIXYGIDLPCA-UHFFFAOYSA-N 473.599 2.043 30 10 JEEE COc1cc(-c2nnc(N(C)[C@@H](C)CC#N)n2C[C@]2(O)CCS(=O)(=O)C2)ccc1OC(C)C 1729961347 FKSSEGVOWUTULF-KSFYIVLOSA-N 477.587 2.029 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@]1(N(C)C)CCSC1 1740537235 BSKUPAPVHKRLBQ-ZHRRBRCNSA-N 475.688 2.442 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CCOc1ccccc1)[C@H]1CCS(=O)(=O)C1 1740616440 BBTMIRZZKYCPHA-RDPSFJRHSA-N 488.610 2.024 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1CCCn1cccn1)[C@H]1CCS(=O)(=O)C1 1740616493 BTCWBBICPREDBP-OALUTQOASA-N 486.573 2.471 30 10 JEEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(C)s1)[C@H]1CCS(=O)(=O)C1 1740617172 NGVBRVLCKYGXHH-PGRDOPGGSA-N 478.640 2.364 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@]1(O)CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1740628727 SQPOMZAEIWBOHX-UXRROIJYSA-N 478.659 2.375 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2CCCN(C(C)C)C2)CC1 1740692862 PYFYPNUTVDTDFA-RDGATRHJSA-N 458.651 2.194 30 10 JEEE C#CCSCCn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1740713816 RPZUNXQRLDRZES-CXAGYDPISA-N 452.939 2.464 30 10 JEEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2ncccc2C#N)CC1 1740795764 CUDAWTQBSYKLST-UHFFFAOYSA-N 492.609 2.456 30 10 JEEE C=CCn1c(N2CC[C@H](N3CCN(CC)CC3)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740949727 QLOZTFHHAFOZOJ-ZCNNSNEGSA-N 459.639 2.451 30 10 JEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCc2cc(OC)c(OC)cc2CC1 1740963646 RRJAVKHWCYIYKO-UHFFFAOYSA-N 479.585 2.064 30 10 JEEE C=CCOc1ccc(Cn2c(Cc3ccccn3)nnc2N2CCO[C@H](CNC(C)=O)C2)cc1 1740967491 IAWUDLVSIWJMGQ-HSZRJFAPSA-N 462.554 2.218 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)O[C@H](c2ccsc2)C1 1740985164 CUMHTICTWZADSB-RDJZCZTQSA-N 467.617 2.045 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCN(c2cccc(C)c2C)CC1 1740990409 UDYAQTKGXQNTQP-UHFFFAOYSA-N 467.599 2.279 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC[C@@H]1c1ccc(COC)o1 1740991679 BOSIQUDERSMDRC-FUHWJXTLSA-N 450.561 2.464 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCOc2ccccc2)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1740993865 FFZROTYPFBXPEV-VQTJNVASSA-N 459.616 2.173 30 10 JEEE CO[C@H](C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1748379056 BGDPJLGSPGMXFV-ZIAGYGMSSA-N 486.378 2.447 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1(S(C)(=O)=O)CCC1 1748690554 UWRVSLCFOMUCSH-YESZJQIVSA-N 465.620 2.474 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2C[C@H](C)CN2CCOCC2)c1 1748694520 IKTSBAKKXKBEOI-OAQYLSRUSA-N 487.608 2.288 30 10 JEEE C#CCN(C)c1nnc(COc2ccc(Br)cc2)n1C[C@H]1CCS(=O)(=O)C1 1748800426 WVPVTTNRBPAAFA-CQSZACIVSA-N 453.362 2.124 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(=O)NCC=C 1748890979 XHGRAALDQVPCPI-IBGZPJMESA-N 454.575 2.158 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Cl)n2CCS(=O)(=O)CC2CC2)CC1 1749010660 OYFJWYUYCJEFCG-UHFFFAOYSA-N 490.029 2.389 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(OCC(N)=O)CC1 1749120767 HHZJTFWJOOOAML-AUUYWEPGSA-N 493.406 2.488 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)COC)CC1 1749122662 ZDGSMXUFWKKFQK-UNMCSNQZSA-N 450.543 2.093 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCS(=O)(=O)C1 1749153346 TYWJEMRHWVNDAK-MRXNPFEDSA-N 466.633 2.075 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCN1CCN(CC)CC1 1760116937 LMZLIZCYFRTVRU-LEWJYISDSA-N 489.665 2.072 30 10 JEEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1760122301 JBUNPQHMCJOKDH-GHTZIAJQSA-N 478.622 2.342 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1CCO[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1760182204 CBQIWOCETYZUGC-GGPKGHCWSA-N 488.610 2.404 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCc1nc(C)no1 1760216411 MRDBUXIAXMDOJW-UHFFFAOYSA-N 470.537 2.462 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ncc(Cl)n1C 1760321448 GPMYXQWVWAPABC-VKJFTORMSA-N 469.011 2.185 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccc2OC)nnc1N1CC[C@H](S(C)(=O)=O)C1 1760323568 DVVLJFFNMQXAPT-IPJJNNNSSA-N 460.600 2.482 30 10 JEEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1760359222 JLDTXHDSQKZXKP-ZRZAMGCNSA-N 495.672 2.483 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(C)COCCO1 1760480005 HWWJRNQYMHSMHI-NFBKMPQASA-N 471.583 2.050 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)NCC(F)(F)F 1760486813 ALSIWOGEEMHGPE-CYBMUJFWSA-N 477.534 2.113 30 10 JEEE C=CCNC(=O)Cn1c(-c2sc3ccccc3c2Cl)nnc1N1CCO[C@H](CNC(C)=O)C1 1760516153 WJZVQADSGASNFZ-OAHLLOKOSA-N 489.001 2.457 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCCN(C(=O)C2CC2)CC1 1760527824 JVSUHUKFGZIVGZ-UHFFFAOYSA-N 472.977 2.261 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CC)CC 1760554855 OXYFKHDMPVPGBF-MRXNPFEDSA-N 457.597 2.034 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1F 1862642472 LLFBMHLVEDFERJ-LJQANCHMSA-N 457.414 2.457 30 10 JEEE N#Cc1nnn(Cc2cc([N+](=O)[O-])cc3c2OCOC3)c1NC(=O)c1cccc([N+](=O)[O-])c1 1870108793 YLUZLIZNGBUSHG-UHFFFAOYSA-N 451.355 2.133 30 10 JEEE C=CCN(CC=C)c1nc(=NCCCn2ccnc2)[nH]c(=Nc2ccc(OC)c([N+](=O)[O-])c2)[nH]1 1871708608 TTYMKPLTWIDVNQ-UHFFFAOYSA-N 465.518 2.253 30 10 JEEE CCCCCCCCNC(=O)c1cc2c(N3CCN(CCO)CC3)ncnc2n1CCOC 1873589493 LTRREMMBSPUIHG-UHFFFAOYSA-N 460.623 2.282 30 10 JEEE C=CCOc1ccccc1OCC(=O)N1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(OC)cc3)C2)CC1 1873782019 PAORFRBCUFTRJH-FQEVSTJZSA-N 493.560 2.363 30 10 JEEE CC(=O)NCc1nnc(SCC(=O)Nc2ccc(F)cc2)n1/N=C/c1ccc(C(=O)O)cc1 1874431844 AFTJOBPQDKNLRY-YSURURNPSA-N 470.486 2.365 30 10 JEEE COc1cc(N2CCN(C(=O)[C@H]3SCC(=O)N(C(C)C)[C@H]3c3ccc(C#N)cc3)CC2)ncn1 1889660876 XVAJEADMKJOLPE-GOTSBHOMSA-N 480.594 2.099 30 10 JEEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)c3cc(-c4ccco4)nn3C)CC2)CC1 1890206437 RLXFMFDKQUIYKU-UHFFFAOYSA-N 453.587 2.331 30 10 JEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H]1C[C@H]1NC(=O)OC(C)(C)C 2247876326 NAPFQGYUJQZGAQ-OLZOCXBDSA-N 458.411 2.300 30 10 JEEE CC1(C)OB(c2sccc2CS(=O)(=O)N2CC(NC(=O)OCc3ccccc3)C2)OC1(C)C 2247949900 AZULNRMFJNIPGL-UHFFFAOYSA-N 492.428 2.488 30 10 JEEE Cc1cc(S(=O)(=O)N[C@@H]2C[C@H]2NC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2255747874 SMAUXVFWGMBEOJ-IAGOWNOFSA-N 452.382 2.238 30 10 JEEE Cn1nc(C(=O)N2CCN(C(=O)OCc3ccccc3)CC2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2255816648 IYTCGBMSAGNYBT-UHFFFAOYSA-N 488.781 2.467 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1S(=O)(=O)N[C@H]1CON(C(=O)OC(C)(C)C)C1 2267468331 VCUYUZUJNTWEHK-MRXNPFEDSA-N 468.381 2.123 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)C2(B3OC(C)(C)C(C)(C)O3)CCC2)[C@H](S(C)(=O)=O)C1 2267505688 MCPQFNMBAJDJGR-HUUCEWRRSA-N 472.413 2.152 30 10 JEEE Cc1sc(C(=O)N2C[C@@H](O)C[C@@H](NC(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2267541941 KWZZAHDBAVCDPL-CABCVRRESA-N 466.409 2.456 30 10 JEEE CN(Cc1csc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)[C@H]1C[C@H](O)CN1C(=O)OC(C)(C)C 2268631097 SUOUQMNJSGANAB-JKSUJKDBSA-N 466.409 2.376 30 10 JEEE C[C@@H]1OCCN(C(=O)OC(C)(C)C)[C@H]1C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2268634687 JKTJXKUKXITBJA-DZGCQCFKSA-N 467.397 2.083 30 10 JEEE CC(C)(C)OC(=O)N1CC(O)(CC(=O)Nc2ccc(F)c(B3OC(C)(C)C(C)(C)O3)c2)C1 2268635427 QVTZWTCODPLTHR-UHFFFAOYSA-N 450.316 2.435 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@H](COc3cccc(B4OC(C)(C)C(C)(C)O4)n3)O[C@@H]2C1 2281458410 PMISZVWRDRUWSX-IXDOHACOSA-N 462.352 2.163 30 10 JEEE Cn1nc(C(=O)NC[C@@]23CC[C@H]2CN(C(=O)OC(C)(C)C)C3)cc1B1OC(C)(C)C(C)(C)O1 2281963572 MYNMFEMYCZASFK-NPMXOYFQSA-N 460.384 2.096 30 10 JEEE Cc1nn(C)c(C(=O)NCC[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2281984918 GTUQCSUISWUDAF-INIZCTEOSA-N 462.400 2.405 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)C[C@@]12CCOC2 2282014507 QRANMLRSKQGJHH-RCDICMHDSA-N 479.408 2.341 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H]2CN(C(=O)c3ncncc3B3OC(C)(C)C(C)(C)O3)C[C@H]2C1 2282170947 DITAXUDEHICLKL-HZPDHXFCSA-N 458.368 2.105 30 10 JEEE CC(C)(C)OC(=O)NCCCC1CN(S(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282303179 SMXQGNDNXMZCPX-UHFFFAOYSA-N 481.424 2.306 30 10 JEEE CC1(C)OB(c2cccc(S(=O)(=O)N3CCC(CNC(=O)C(F)(F)F)CC3)c2)OC1(C)C 2282335940 WJEMFUVTZSOXBL-UHFFFAOYSA-N 476.326 2.065 30 10 JEEE CC(C)(C)OC(=O)NCCc1nc(NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)n[nH]1 2282338048 KUELJQUJGLMIFX-UHFFFAOYSA-N 499.424 2.033 30 10 JEEE CC(C)(C)OC(=O)NC[C@]12CCC[C@H]1CN(C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C2 2282581857 NUKRDBNMNHFERV-WNSKOXEYSA-N 460.384 2.476 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@]2(CNC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2283057436 UMPHGNSKKREENE-WNSKOXEYSA-N 458.368 2.153 30 10 JEEE C[C@@H]1CN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C[C@]1(C)CNC(=O)OC(C)(C)C 2283061762 QPUNEAFZSHONON-CMJOXMDJSA-N 460.384 2.399 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C(F)(F)C1 2283062649 PFHPRZBYJUOMOQ-ZDUSSCGKSA-N 468.310 2.150 30 10 JEEE Cc1nc(NC(=O)[C@H]2CO[C@H](C)CN2C(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2283953941 ZLFRTUNSKKIAER-CZUORRHYSA-N 462.356 2.047 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N[C@H]1COCC[C@@H]1NC(=O)OC(C)(C)C 2285206137 UTHPFZARONAVMP-IRXDYDNUSA-N 461.368 2.101 30 10 JEEE O=C1C(=O)N(CCN2CCOCC2)[C@H](c2cccc([N+](=O)[O-])c2)C1=C(O)c1ccc(F)cc1 2297740607 CPOGGRUJMGTQGI-HXUWFJFHSA-N 455.442 2.488 30 10 JEEE Cn1cnc(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 2362449886 ZWKGFWYNVSYLRI-CAOSSQGBSA-N 460.384 2.141 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2[C@@H](C)CN(C(=O)OC(C)(C)C)C[C@@H]2C)n1C 2362492636 CXPRYESNLVLDGX-GJZGRUSLSA-N 462.400 2.498 30 10 JEEE CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)OC(=O)CCN1C(=O)c2ccc(Br)cc2C1=O 11075464 JOLDXCJQNFRDHN-ODXCJYRJSA-N 464.316 2.421 30 10 JEEE COCCSc1nnc(NC(=O)CSc2nnc(N/N=C/c3ccc(C)cc3)n2N)s1 20917646 MZHXSIBEHNLGGI-DJKKODMXSA-N 479.617 2.067 30 10 JEEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCN(C(=O)c2ccc(F)c(F)c2)CC1 43841506 HANSRVRRWFOASZ-UHFFFAOYSA-N 452.465 2.413 30 10 JEEE C=CCn1nc(C)c(/C=N/Nc2nnc(SCC(=O)Nc3ccc(OC)cc3OC)n2N)c1C 59829885 AHGDQKTYJVQICM-FOKLQQMPSA-N 485.574 2.185 30 10 JEEE COc1ccc(N2CCCC2=O)cc1S(=O)(=O)NC1CCN(C(=O)c2cccc(C#N)c2)CC1 586084654 SASKIGGJRPKXFB-UHFFFAOYSA-N 482.562 2.277 30 10 JEEE CCOc1ccc(NC(=O)C(=O)NCc2ccc(C#N)cc2F)cc1S(=O)(=O)N1CCCC1 609257141 UZGVAMRJHOIMTM-UHFFFAOYSA-N 474.514 2.135 30 10 JEEE Cc1cccc(-n2c(=C(C#N)C(=O)Nc3ccccn3)sc(=Cc3cnn4ccccc34)c2=O)c1 729668581 ODIDDJNLZYDNLS-UHFFFAOYSA-N 478.537 2.392 30 10 JEEE NS(=O)(=O)c1ccc(NC(=O)CSc2n[nH]c(NN=Cc3cccc(Cl)c3)n2)cc1 1083921689 FUTGQAIAYFDGAL-UHFFFAOYSA-N 465.948 2.282 30 10 JEEE C#CCn1cc(CNC(=O)c2ccc(OS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)cc2)cn1 1156661608 AAJTUZJMDUMTHA-UHFFFAOYSA-N 454.464 2.431 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCCO[C@@H]1C1CCN(S(=O)(=O)c2ccc(C#N)nc2)CC1 1191035546 FZYCFJFRUNEYGQ-RTBURBONSA-N 450.561 2.426 30 10 JEEE N#Cc1ccc(CS(=O)(=O)N2CCN([C@@H]3CCCN(Cc4ccccc4)C3=O)CC2)cc1 1211839822 IBGWORVIOAXHEQ-HSZRJFAPSA-N 452.580 2.197 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CC[C@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1286388042 LATHDYXMTZXOLV-LEWJYISDSA-N 453.568 2.403 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccccc1COCCC)[C@H]1CCS(=O)(=O)C1 1286390189 YJXMSJVYFHQPAW-QFIPXVFZSA-N 482.610 2.280 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@]1(O)CCO[C@@H]1C 1286460914 LMJQPKHFBKOUPO-OEEWACLQSA-N 458.534 2.321 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CC(=O)NCC(F)(F)F)CC1 1286470716 BTZQMEFTWMILCN-SFHVURJKSA-N 478.519 2.469 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@](C)(O)c2ccccc2Cl)CC1 1286491787 BLKGLYTUBBDECC-QHCPKHFHSA-N 459.978 2.342 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(NC(=O)N(C)C)cc1 1286516184 CZXDPHCETXVMPK-KSFYIVLOSA-N 473.603 2.022 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CC(=O)N1CCOCC1 1286565256 ZPFUBJAQLFUQOL-YUVXSKOASA-N 475.634 2.473 30 10 JEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCc2cc(OC)c(OC)cc2CC1 1286606515 RWZQRIVAXDCCMA-LJQANCHMSA-N 455.559 2.444 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N(C)CC1CCOCC1 1286820428 LGHDHUKCDOSQSZ-HXUWFJFHSA-N 462.572 2.254 30 10 JEEE C[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1)N(C)C 1288651019 CXDZGOXVRKNXJS-LAUBAEHRSA-N 454.600 2.296 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@H]1CN(CC(C)C)CCO1 1300317241 MWUUZWHRMZOHHB-AOYPEHQESA-N 493.700 2.458 30 10 JEEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCC(N2CCNC2=O)CC1 1300386021 KHZJWHFXTZZXPP-UHFFFAOYSA-N 460.380 2.454 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(OC)cc2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1300654851 JNBDLOHKZUPIIF-IRLDBZIGSA-N 487.626 2.244 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](CC)c3ccccc3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1300716027 HWOQCCFDJGDZOQ-SIKLNZKXSA-N 483.638 2.221 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H](C)N(C)Cc2ccccc2)CC1 1300724864 CURCGFRUASHQIR-OFNKIYASSA-N 464.614 2.268 30 10 JEEE C=C(Cl)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN(CC(=O)NCC)CC1 1301028999 DLAOTAIKDAQROX-UHFFFAOYSA-N 462.982 2.363 30 10 JEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C)cc2OCCOC)CC1 1301065412 DXLIKEOPJMGVTI-GOSISDBHSA-N 463.604 2.427 30 10 JEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](c2ccc(C)o2)N2CCOCC2)CC1 1301106221 RSQZSJRMCOUQRR-AZUAARDMSA-N 492.646 2.266 30 10 JEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1nc(O)c2ccccc2n1 1301258117 LNEOQROWGFLCJL-MRXNPFEDSA-N 472.571 2.058 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1301592993 HJVVCOOWSRPPRM-OAQYLSRUSA-N 484.626 2.251 30 10 JEEE N#Cc1cccc(-c2nnc(N3CCN(C(=O)c4ccco4)CC3)n2CC(=O)NCC(F)(F)F)c1 1302985960 DGVZFCNSHQQBGZ-UHFFFAOYSA-N 487.442 2.051 30 10 JEEE C#CCN([C@@H]1CCOc2ccc(Br)cc21)S(=O)(=O)c1cc(C(=O)OC)no1 1309192952 ICHIDTOZQYFRQZ-CQSZACIVSA-N 455.286 2.371 30 10 JEEE CCN1CCN(C[C@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@](F)(C#N)C2)CC1 1313955065 DZFCGDBXJVLXAP-CPJSRVTESA-N 480.592 2.444 30 10 JEEE C#CCCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2ncnc3c2cnn3C)CC1 1358904093 UKUKMIGDPJXXPB-UHFFFAOYSA-N 478.605 2.003 30 10 JEEE C#CCCCn1c(-c2ccc(Br)cc2)nnc1N1CCN(CC(=O)NCC)CC1 1358922724 ORIBNWHTOMVJBD-UHFFFAOYSA-N 459.392 2.379 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2cccnc2)n1C[C@@H]1C[C@@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1358980045 GTGJVDYJDDIDEG-FSSWDIPSSA-N 476.581 2.361 30 10 JEEE C#CCN(CC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1359013610 FUCAHSSGRWWWFX-HSZRJFAPSA-N 460.600 2.164 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H](c2cccs2)N(C)C)CC1 1359029982 LVTKYQZSLSLSLS-RDPSFJRHSA-N 472.659 2.438 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCNC(=O)C(C)C)CC1 1359040571 ALOWLZXMCJTLBI-SFHVURJKSA-N 484.576 2.295 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](c1ccc(C)cc1)N(C)C 1359064342 QNIPGBNANSNNBB-JXHRLWIKSA-N 458.632 2.492 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)CC(C)(C)CN1CCOCC1 1359089103 BIKBAZNPLLSEEU-NHCUHLMSSA-N 474.650 2.290 30 10 JEEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1359130936 BZCKKJRMLUBCBS-UHFFFAOYSA-N 453.469 2.223 30 10 JEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CN2C[C@H](C)O[C@H](C)C2)CC1 1359131712 CGAXCZZMVFMYEA-SVFBPWRDSA-N 460.623 2.148 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2c(F)cccc2F)CC1 1359164831 AVYIZRXSGQCMAF-LJQANCHMSA-N 467.542 2.288 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CCC[C@@H](NC(C)=O)C1 1359294699 BORVTLBWDILDQS-CYBMUJFWSA-N 467.393 2.176 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 1359297237 JZTSLGYOAQAQKZ-INIZCTEOSA-N 456.572 2.187 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1359330042 FBBSPGWVHZRZSW-UHFFFAOYSA-N 499.641 2.000 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCN(Cc2ccccc2)C[C@@H]1C 1359331118 NUUBFHZXHPCXMY-IBGZPJMESA-N 467.599 2.047 30 10 JEEE C[C@@]1(C#N)CCCN(c2nnc(Cc3cccnc3)n2CCc2ccc(S(N)(=O)=O)cc2)C1 1360784559 HGECDDBQHMOETK-QHCPKHFHSA-N 465.583 2.284 30 10 JEEE CNS(=O)(=O)c1ccc(Br)c(C(=O)N2CC(Oc3ccc(C#N)cc3)C2)c1 1447455972 AJOKJUXJUVPUMP-UHFFFAOYSA-N 450.314 2.132 30 10 JEEE C=C(Cl)C[C@@H](NC(=O)[C@@H]1[C@H](C(=O)OC)[C@@H]2CC[C@@H]1N2C(=O)OC(C)(C)C)C(=O)OCC 1472608888 BYHYNIXWOAAGPW-OLMNGRFOSA-N 458.939 2.364 30 10 JEEE CCN1CCN([C@H](C)Cn2c(-c3ccc4c(c3)OCCO4)nnc2N(C)[C@@H](C)CC#N)CC1 1502310731 FKPZOBKCEGXSDH-RBUKOAKNSA-N 453.591 2.481 30 10 JEEE COCCN(C)S(=O)(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cc(C)no2)C1 1504859557 CGAMBPHYWASLNH-NRFANRHFSA-N 499.597 2.038 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1507624881 FIDAKLMKMHNTJM-OFNKIYASSA-N 476.574 2.133 30 10 JEEE C#CCN(c1nnc(Cc2c[nH]c3ccccc23)n1CC(C)(C)OC)[C@H]1CCS(=O)(=O)C1 1507633421 DMYVPXVZCLCCCM-SFHVURJKSA-N 455.584 2.402 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccc(OC)cc2OC)CC1 1507716166 NIFFSYDKPBKSOW-UHFFFAOYSA-N 454.575 2.017 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(I)cc2)CC1 1507732778 XRKSTIFIMOEZRT-KRWDZBQOSA-N 477.350 2.190 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H](C)c2nc(C)cs2)CC1 1507735492 BAAGLTKBJHLZHI-BXKMTCNYSA-N 486.642 2.465 30 10 JEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCc2cc(OC)c(OC)c(OC)c2CC1 1507753085 IRSOTMPMZBOGMK-UHFFFAOYSA-N 499.637 2.398 30 10 JEEE C=CCn1c(COc2ccc(OC)cc2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1508070994 PSTKRFXVYBQSIM-UHFFFAOYSA-N 451.531 2.485 30 10 JEEE C=CCOc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@H](NC(=O)CC)C2)cc1 1508100941 ROAMHBGZTLFKFU-PMACEKPBSA-N 487.626 2.288 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 1508142807 VHEFBXCJGRQJIA-QZTJIDSGSA-N 483.635 2.472 30 10 JEEE C=CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1508157936 HXLVVZOFVQYGPM-GOSISDBHSA-N 486.598 2.354 30 10 JEEE C[C@H]1C[C@@H](C)CN(C(C)(C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)[C@H](C)CC#N)C1 1511978095 FPQFPGVZXQPWHZ-XDNAFOTISA-N 453.657 2.383 30 10 JEEE COCC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1518958331 GASIBJYASLHYSB-GLDPYIMESA-N 456.591 2.150 30 10 JEEE CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N[C@@H]2CCc3cc(C#N)ccc32)o1 1524941228 ARTKAHCRHDBKJU-QZTJIDSGSA-N 457.508 2.285 30 10 JEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CCN1C(=O)COc2cc(Br)ccc21 1531182506 RZQXHJBNSOPMQT-UHFFFAOYSA-N 451.317 2.368 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3noc4c3COCC4)n2CCOCC(F)F)c1 1539039407 BXAPEAWIEUAOBB-UHFFFAOYSA-N 486.479 2.344 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cc(F)ccc1F)[C@H]1CCS(=O)(=O)C1 1539206183 MZDUBPFNRHKFLT-CVDCTZTESA-N 494.564 2.272 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1COCCO1 1539384359 FPJYLMYOZJFAFT-IBGZPJMESA-N 450.474 2.120 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC1 1539480651 DFNUSEDPSGOTLC-LJQANCHMSA-N 482.551 2.165 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccnc(OCC(F)(F)F)c2)CC1 1539482360 SXPFRGKJJNBMPO-GOSISDBHSA-N 492.502 2.132 30 10 JEEE C=C(C)COCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1539736239 VGJWBJSDJANSKE-UHFFFAOYSA-N 494.604 2.097 30 10 JEEE C=C(Cl)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCS(=O)(=O)CC1 1539798264 DKYHZMAYTRASFP-UHFFFAOYSA-N 462.963 2.052 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCCN(C(=O)C2CC2)CC1 1540899813 AZDXNZWDVYVBAK-UHFFFAOYSA-N 479.006 2.043 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N(C)Cc1ccc(F)cc1 1540901586 ITPAKLJPSZOJNB-UHFFFAOYSA-N 461.519 2.382 30 10 JEEE CNC(=O)[C@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CCN1S(=O)(=O)c1ccccc1 1548369146 CXDMLSHIUXVZJD-GOSISDBHSA-N 452.458 2.203 30 10 JEEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(OC)CCC(C)CC2)CCO1 1554443152 FCUSKZIZNWBQHQ-QOALBKQRSA-N 452.559 2.363 30 10 JEEE C#Cc1cccc(CNC(=O)N2CCN(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)CC2)c1 1564924842 ZRMLQNPOYOVFOO-UHFFFAOYSA-N 455.559 2.168 30 10 JEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(c3ccccc3OCCOC)CC2)c1 1566264882 KGOATIRTVJWOMY-UHFFFAOYSA-N 456.564 2.471 30 10 JEEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CCCc1ccccc1)[C@H]1CCS(=O)(=O)C1 1588034500 HGTLCYSLEIXCHR-XUZZJYLKSA-N 472.611 2.190 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCN(CC)C(C)C)[C@H]1CCS(=O)(=O)C1 1588059308 LPDKSXOFEBCLGY-NRFANRHFSA-N 461.607 2.365 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H](c1cccs1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1588074195 KTFDJFOUFUZEJY-KZNAEPCWSA-N 463.629 2.121 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(F)ccc2Br)n1C[C@@H]1CC(=O)N(CCOC)C1 1588093131 CEDZDXRNAUXINN-MRXNPFEDSA-N 488.361 2.414 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccc(Br)cc2)n1CC1(S(C)(=O)=O)CC1 1588162478 UKXKSMNGWULHMB-UHFFFAOYSA-N 477.384 2.270 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2CC[C@H]2COCCO2)CC1 1588742761 USIGFJJYUATPDH-REWPJTCUSA-N 469.586 2.378 30 10 JEEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cc2ccccc2o1 1589069548 LKYQRMMTMHFRNL-HXUWFJFHSA-N 489.623 2.360 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(N(C)C)Cc2ccccc2C1 1589590176 UIRQMBREZRMXDF-GOSISDBHSA-N 460.648 2.390 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC(=O)NCc2ccccc2)CC1 1594237336 QPACFKCEGSOGKL-HXUWFJFHSA-N 457.600 2.289 30 10 JEEE C=CCCOCCn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1594820097 TWQVDZPHUWSAQU-UHFFFAOYSA-N 472.565 2.175 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CCSC1 1595133622 JLFIIWXVQLTDNC-UTKZUKDTSA-N 466.604 2.380 30 10 JEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1595405400 NLWAIXDQSVLLIY-IBGZPJMESA-N 489.621 2.499 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccccc1Br 1595466687 LPXAGOVFTKHPAC-UHFFFAOYSA-N 461.364 2.215 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](CN2CCCCCC2)C1 1595467084 PYCXJGFGQSBRGQ-FQEVSTJZSA-N 480.617 2.320 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 1595759574 GIXDAKDECWILID-SFHVURJKSA-N 499.996 2.388 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)C[C@@H]1CCCO[C@H]1c1ccccc1 1595788635 FBEUNGILLJIUJI-ONTIZHBOSA-N 487.626 2.434 30 10 JEEE Cc1nn(C)c(N2CCN(c3nnc(CC(C)C)n3CCCN3C[C@H](C)O[C@H](C)C3)CC2)c1C#N 1612471960 BQTFLSHGRNZOJV-BGYRXZFFSA-N 483.665 2.216 30 10 JEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@]2(Cc2ccccc2)C(=O)OCC)c1 1615097704 KROGRYZOSGZBPI-XMMPIXPASA-N 454.548 2.379 30 10 JEEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1CCn1cc(Br)cn1 1617907528 GBZXECNBVAMWSM-QGZVFWFLSA-N 469.347 2.396 30 10 JEEE COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)CN2CCCCC2)CC1 1619548009 CBDJJSCMJHSCLU-HXUWFJFHSA-N 465.602 2.234 30 10 JEEE COCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1619770502 HNUTZTHPOWDEKH-BWKNWUBXSA-N 481.601 2.186 30 10 JEEE C=C(CCC(=O)OC)C(=O)N[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 1640095677 NJESQGLPVOBQDE-OAHLLOKOSA-N 459.362 2.228 30 10 JEEE C#CCn1ccc(CN(CC)CC(=O)Nc2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)n1 1658504957 NUMMNIZRAYENML-UHFFFAOYSA-N 457.600 2.460 30 10 JEEE C#CCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1689901711 PLEDINAEVSGCOS-UHFFFAOYSA-N 470.599 2.392 30 10 JEEE C#CCN(c1nnc(-c2noc3c2COCC3)n1CCCC(C)(C)COC)[C@@H]1CCS(=O)(=O)C1 1689988510 QQRFCOHULHYAKX-QGZVFWFLSA-N 491.614 2.085 30 10 JEEE C#CCN(c1nnc(COCC)n1CC1(c2cccc(OC)c2)CC1)[C@H]1CCS(=O)(=O)C1 1689997223 YCIVMYCQRANWLR-IBGZPJMESA-N 458.584 2.182 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCNC(=O)c1cc[nH]n1 1690001815 SUMVWLFBPBYZOK-MRXNPFEDSA-N 451.918 2.297 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(-c2ccccc2)no1 1690033118 QOXHTEDCKFUHAH-KRWDZBQOSA-N 452.540 2.055 30 10 JEEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CC(C)(C)c2ccc(OC)c(OC)c2)CC1 1690120303 PMNJRNKIFAXYCA-UHFFFAOYSA-N 463.586 2.429 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCc2ccccc2C)CC1 1690136402 DJNANZIWDAPVPT-UHFFFAOYSA-N 471.565 2.442 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1690174944 MRHAQFCPLFCZBT-GJZGRUSLSA-N 466.551 2.094 30 10 JEEE C=CCCCCn1c(COc2ccccc2OC)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1690467949 NIAOMKROFRJQHI-UHFFFAOYSA-N 496.612 2.493 30 10 JEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](c2noc(C(C)C)n2)C1 1690485656 ZFYVLPABXYEIGY-MSOLQXFVSA-N 493.634 2.468 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N(C)C[C@H]1CCCO[C@H]1c1ccccc1 1690655359 QKVLZJLILQGABB-CTNGQTDRSA-N 454.575 2.323 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(c2ncc(C)s2)CC1 1690659525 VQTAYBZLKVDZMD-UHFFFAOYSA-N 466.571 2.377 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCCN(CC)C(=O)C1 1690663881 HJJCBSHMPXYXDH-UHFFFAOYSA-N 478.553 2.478 30 10 JEEE CC[C@]1(C)CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC(=O)N(CCOC)C2)CCO1 1694454304 ACXKKELOVWIBOL-NTKDMRAZSA-N 452.559 2.317 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCN(C)CC(F)(F)F 1705481988 QDBONASRRLYXAS-OAHLLOKOSA-N 472.537 2.147 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 1705563026 PDVGAOTUGWNZQF-MRXNPFEDSA-N 456.524 2.230 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CSc3ccccc3OC)n2C[C@]2(OC)CCOC2)CC1 1705652488 AZZPJMHEFFZTHM-RUZDIDTESA-N 499.637 2.350 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CCO)Cc1ccccc1 1705699890 MUQDAYWXEPFUQS-HKBOAZHASA-N 460.600 2.160 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](N2CCCC2)C1 1705792531 VIIDALBGFOZIOP-UXHICEINSA-N 480.679 2.278 30 10 JEEE C=CCCCn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1705812480 AVZZSOYBRUIFRM-UHFFFAOYSA-N 452.559 2.191 30 10 JEEE C=CCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1705816894 WMZIQSYPYWATCP-UHFFFAOYSA-N 476.585 2.270 30 10 JEEE C=CCN(C)c1nnc(-c2cccc(Br)c2)n1CC1(O)CCS(=O)(=O)CC1 1705835751 SLYXAWPKBPHXTR-UHFFFAOYSA-N 455.378 2.270 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CN2CCCC2=O)n1C[C@H]1CCCS(=O)(=O)C1 1705861072 SLYLMUBUHSRNDX-OAQYLSRUSA-N 482.610 2.290 30 10 JEEE CC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCCS2(=O)=O)CCN1CCOC 1709328090 HRDWQMLTVYLOAT-YADHBBJMSA-N 486.642 2.331 30 10 JEEE CCN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CCCN1C[C@H](C)O[C@H](C)C1 1710166259 FKWHSESIMADKQY-KDURUIRLSA-N 474.631 2.187 30 10 JEEE COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1c[nH]c2ccccc12 1712453887 CJXVXKHYGAXBSI-SFHVURJKSA-N 456.572 2.271 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@H](CC)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1722362343 SULLKOPPKDPHBV-ROUUACIJSA-N 490.630 2.214 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CC=CCO1 1722398321 ZQHCGXOZTBNNIE-VQTJNVASSA-N 455.559 2.395 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2Cc2ccc(N3CCN(CC)CC3)nc2)CC1 1722444383 IZTDRPKQHNPZIO-OAQYLSRUSA-N 492.672 2.343 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(N2CCCCC2)CC1 1722459483 KXEVRLJPUKWIHS-GOSISDBHSA-N 451.662 2.001 30 10 JEEE C#CCSCCn1c(Cc2ccccc2F)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1722460190 DELQIEJTSZQCNB-UHFFFAOYSA-N 465.620 2.235 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)c(COC)c1 1722517831 ODGVNOTUCSKXKA-FQEVSTJZSA-N 481.594 2.347 30 10 JEEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1722527140 AHPQKCJFVHWLKZ-LJQANCHMSA-N 466.546 2.312 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1722694751 GUEZOWFOALIJMF-UHFFFAOYSA-N 476.629 2.114 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1722702461 OKQPGOHLPHLIKH-IBGZPJMESA-N 466.586 2.271 30 10 JEEE CCN(c1nnc(-c2ccc(C#N)cc2)n1CCCc1c[nH]nc1C)[C@H]1CCS(=O)(=O)C1 1728292889 CBICOGYIVWOOBB-FQEVSTJZSA-N 453.572 2.495 30 10 JEEE CN(C)S(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C(C)(C)C)C1 1729344697 HZWYCJSRGGJEOR-GOSISDBHSA-N 460.604 2.493 30 10 JEEE CO[C@]1(Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CCC(C#N)CC2)CCOC1 1729940178 HQUHTWFQRWUIQP-QFIPXVFZSA-N 458.950 2.407 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CCc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1740617904 YSMSDMJDRDLVCM-DHLKQENFSA-N 486.638 2.497 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCc1ccc(C)cc1C)[C@@H]1CCS(=O)(=O)C1 1740621862 PJUMXNLBVQMQPN-OAQYLSRUSA-N 452.584 2.165 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CCOc1ncccc1Cl)[C@H]1CCS(=O)(=O)C1 1740624597 IKVVBXWCGKRGLI-SFHVURJKSA-N 486.985 2.018 30 10 JEEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCCSC1)[C@@H]1CCS(=O)(=O)C1 1740625403 QKHDXEQHGZSLTB-DLBZAZTESA-N 493.680 2.040 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(CN(CC)CC)cc1 1740640419 MWGFHDUSKPWLKJ-JOCHJYFZSA-N 453.612 2.143 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCc1ccccn1 1740684692 YSICWMSTBLTWGG-UHFFFAOYSA-N 457.538 2.399 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CC(C)(C)CCOC)CC1 1740708328 LSMCEDNFGGQPFZ-UHFFFAOYSA-N 455.607 2.168 30 10 JEEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1740714969 AXQILDMXHBWIAH-SFHVURJKSA-N 493.637 2.299 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1CCc1ccc(OCCN(C)C)cc1 1740729612 ITHHNESWDVXIGW-PXDATVDWSA-N 450.587 2.404 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1740956753 PHYAOTFLCYIPDO-LJQANCHMSA-N 471.949 2.221 30 10 JEEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1740964122 IOUXPLRCZROKMH-IAGOWNOFSA-N 450.584 2.246 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CC1(N2CCOCC2)CCCCC1 1741919701 HOPWULQIFBCTHT-LJQANCHMSA-N 493.678 2.053 30 10 JEEE CCN1CCN(CCCn2c(-c3cccc(C#N)c3)nnc2N(C)[C@H](C)[C@H](C)S(C)(=O)=O)CC1 1746467194 BIJKJILSPGQEQY-UXHICEINSA-N 487.674 2.102 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1nnc(C(C)(C)C)s1)[C@H]1CCS(=O)(=O)C1 1748819166 LVIZQCWYNMOXBR-KRWDZBQOSA-N 485.639 2.088 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@]2(C)CCCO2)CC1 1749006432 NKKYPEKOXPQLEW-RUZDIDTESA-N 467.570 2.497 30 10 JEEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1749106722 JREMJUDPGPCBIZ-IBGZPJMESA-N 494.419 2.357 30 10 JEEE C=CCC(C)(C)Cn1c(N2CCN(C(=O)CN3CCCC3)CC2)nnc1[C@@]1(OCC)CCOC1 1749377237 PAYFOBGGPNHRRU-RUZDIDTESA-N 474.650 2.277 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1749658764 OELDQTNDRYQKNA-OLZOCXBDSA-N 479.404 2.034 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccnc(C(F)(F)F)c2)C1 1749711724 BLSHAPRQRZHPJF-HZPDHXFCSA-N 471.505 2.424 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(C(=O)OCC)CC1 1749725253 QEMBHOXEPAYADK-UHFFFAOYSA-N 499.540 2.426 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1749727085 MRCYLVQADJKXTM-NVXWUHKLSA-N 482.946 2.322 30 10 JEEE C[C@H](C#N)CN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCN1CCSCC1 1750075551 FXKBKHGNOWZPNC-GOSISDBHSA-N 455.636 2.097 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CCc1nccnc1C)[C@@H]1CCS(=O)(=O)C1 1760181993 AEKSXRKDHJHSEP-OAQYLSRUSA-N 464.595 2.475 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CC[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1760186847 REPBMLNPTRHVOU-SJORKVTESA-N 464.538 2.200 30 10 JEEE C#CCN(CCOC)c1nnc(CNC(=O)c2cccs2)n1Cc1cn2ccsc2n1 1760253120 NDXYHLWMJHQFJC-UHFFFAOYSA-N 455.569 2.113 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccc(F)c(F)c2)CC1 1760265400 ADGQHTMLLKFRLD-XMMPIXPASA-N 473.524 2.223 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)ccc2Br)nnc1N1C[C@H](C)O[C@H](COC)C1 1760517291 INMIQTUJCRNEBF-HOCLYGCPSA-N 494.390 2.259 30 10 JEEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1760526490 ANJFUOBNWPADRJ-UHFFFAOYSA-N 463.586 2.293 30 10 JEEE CC[C@H](C)c1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1763744544 CPRIZGVPAQHCKC-AOMKIAJQSA-N 493.033 2.193 30 10 JEEE COc1ccc(C(C)(C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)cc1 1768422459 DXNVSPCYHPYDBH-VFNWGFHPSA-N 464.567 2.317 30 10 JEEE C=CCOC(=O)c1cccc(NC(=O)CCC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)n1 1858763341 WTGQNWOREOBWAA-UHFFFAOYSA-N 480.521 2.216 30 10 JEEE C#CCOC(=O)NS(=O)(=O)c1ccc(CCNC(=O)CCC(=O)c2ccc(C)cc2)cc1 1859010169 JUCZDFAUNHWNAJ-UHFFFAOYSA-N 456.520 2.365 30 10 JEEE C=CCN(CC=C)C(=O)[C@@H](C)NC(=O)c1cc(-c2cccs2)n([C@@H]2CCS(=O)(=O)C2)n1 1868771825 UYKPMYXUTRHXBS-HZPDHXFCSA-N 462.597 2.290 30 10 JEEE C=CCN(CC=C)c1nc(NC(=O)COc2ccc(OCC)cc2)n([C@H]2CCS(=O)(=O)C2)n1 1870004640 GUPJBJMRHJVSLU-KRWDZBQOSA-N 475.571 2.232 30 10 JEEE CC(C)N1C(=O)CS[C@H](C(=O)NCc2ccc(N3CCOCC3)nc2)[C@H]1c1ccc(C#N)cc1 1892063872 YIHAGXIUIQCCEG-RPWUZVMVSA-N 479.606 2.500 30 10 JEEE CC(C)(C)OC(=O)NCC(CNC(=O)OC(C)(C)C)NS(=O)(=O)c1cccc(C#N)c1 2006286071 APUWPJZUKGITSM-UHFFFAOYSA-N 454.549 2.255 30 10 JEEE CC(C)(C)OC(=O)N1CCS[C@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2060641118 DGOSOKNAPRYFOW-AWEZNQCLSA-N 450.370 2.067 30 10 JEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)N1CCC[C@H](B2OC(C)(C)C(C)(C)O2)C1 2180985766 SWJCMHFVAHDOBD-DLBZAZTESA-N 486.440 2.495 30 10 JEEE CC1(C)OB(c2cnc(CNC(=O)C3CN(C(=O)OCc4ccccc4)C3)s2)OC1(C)C 2243702242 MKKDNRBGOHGVRE-UHFFFAOYSA-N 457.361 2.327 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1CCN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2247880269 DHAZTZJOMNHWRQ-AWEZNQCLSA-N 458.411 2.335 30 10 JEEE C=C(CS(=O)(=O)NC[C@@H]1CO[C@H](CNC(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2255795189 TWWXEJYIEWGRJM-CVEARBPZSA-N 460.402 2.023 30 10 JEEE C[C@H](NC(=O)CN(CCO)C(=O)OC(C)(C)C)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2256614711 PBHAITLCFSHCSS-AWEZNQCLSA-N 454.398 2.454 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C(C)C 2267153225 WCBRDXZLCXAYKE-HNNXBMFYSA-N 450.389 2.307 30 10 JEEE COC[C@@]1(NC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)CCN(C(=O)OC(C)(C)C)C1 2267172272 ABKFCRIXDONXCV-OAQYLSRUSA-N 467.397 2.198 30 10 JEEE CC1(C)OB(c2cnc(C(=O)N[C@H](CNC(=O)OCc3ccccc3)C(F)(F)F)nc2)OC1(C)C 2267535945 DVZAQDKZFLRYCQ-MRXNPFEDSA-N 494.279 2.363 30 10 JEEE CN(C[C@H](O)COCc1ccccc1)S(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2267710481 WMSGYFSBSWSSMD-IBGZPJMESA-N 461.389 2.184 30 10 JEEE C[C@H](CN(C)C(=O)OC(C)(C)C)N(C)S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2267722099 UIKDZDFNUQVEJW-OAHLLOKOSA-N 469.413 2.257 30 10 JEEE CO[C@]1(C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)CCN(C(=O)OC(C)(C)C)C1 2268642902 HDDDWCLBRHGHQZ-OAQYLSRUSA-N 467.397 2.085 30 10 JEEE COc1ccc(NC(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2268717488 XWGSHJZWUCGMIU-QGZVFWFLSA-N 450.341 2.209 30 10 JEEE CN(C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1F)C1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 2282034295 GFNGLWHCJACGOA-GJZGRUSLSA-N 461.343 2.457 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@H](C1)N2C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2282177565 HRINXFWRXOEKOX-IYBDPMFKSA-N 458.368 2.390 30 10 JEEE CC1(C)OB(c2cc(C(=O)NC[C@@]3(O)CCN(Cc4ccccc4)C3)ccc2F)OC1(C)C 2282466856 PCYXTQKVPGPXNQ-VWLOTQADSA-N 454.351 2.492 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(NS(=O)(=O)c2ccc(F)c(B3OC(C)(C)C(C)(C)O3)c2)C1 2282512312 RYTAYFSBGQRFRK-FPTDNZKUSA-N 482.383 2.413 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@]1(F)C[C@@H](CNC(=O)OC(C)(C)C)C1 2282535977 WGHJUDCXWCVRMX-XLOAEROZSA-N 466.363 2.092 30 10 JEEE Cc1c(C(=O)NC[C@@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282543523 OZBILMGPHIMMHF-HOTGVXAUSA-N 462.400 2.451 30 10 JEEE C[C@@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2CN1C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282552453 KFEDALRTMQOVMS-OAGGEKHMSA-N 460.384 2.047 30 10 JEEE Cc1nn(C)c(C(=O)NC[C@@H]2[C@@H](C)CCN2C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2282562989 YPBXLKYALDPFHZ-GOEBONIOSA-N 462.400 2.403 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1C[C@H](C)CN(C(=O)OC(C)(C)C)C1 2282588866 XOBXDDNMRJOVGD-GOEBONIOSA-N 462.400 2.403 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@H]2NS(=O)(=O)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2282842285 VWRJAUYYNXRGMI-NEWSRXKRSA-N 478.420 2.413 30 10 JEEE COc1ccc(S(=O)(=O)N2CC(C)(NC(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2282871658 KFDWWYLNLHUAPD-UHFFFAOYSA-N 482.408 2.282 30 10 JEEE C[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2CN1C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2283062626 UFUAWTWOPTVVOK-OWCLPIDISA-N 458.368 2.103 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CC(=O)NCc2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2283943684 CMBAOPZCSPSOCF-MJGOQNOKSA-N 460.380 2.220 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)CO1 2283969560 JFPAPBNBDMMWAC-DZGCQCFKSA-N 465.331 2.388 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)N1CCc2cc(B3OC(C)(C)C(C)(C)O3)ccc2C1 2283977049 LEVPAINFCYMTBO-KXBFYZLASA-N 460.380 2.145 30 10 JEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1C 2285198189 ONIHLLGAIIPZBB-IAGOWNOFSA-N 461.368 2.053 30 10 JEEE COC(=O)c1ccc([C@H]2C(=C(O)c3cccs3)C(=O)C(=O)N2[C@@H]2CCS(=O)(=O)C2)cc1 2296559547 PUAHSSGMDPQGAD-PBHICJAKSA-N 461.517 2.144 30 10 JEEE Cc1nn(C)c(C)c1C(O)=C1C(=O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccc(Cl)cc1 2296618940 SYDSLSWKFABTCF-HXUWFJFHSA-N 458.946 2.444 30 10 JEEE CNC(=O)[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@@H]1C1CCN(S(C)(=O)=O)CC1 2297650782 SIXLDDAHBUUIQG-IAGOWNOFSA-N 458.506 2.047 30 10 JEEE CCCNC(=O)CSc1nnc(CC)n1N=Cc1ccc(OCCN2CCOCC2)c(OC)c1 2320974537 NZGQPOPMSKCSPK-UHFFFAOYSA-N 490.630 2.061 30 10 JEEE C=CCC1(N[C@@]2(C(=O)O)CCOC[C@H]2NC(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)C1 2325128170 QDAVNBWCQCJJJH-QRQCRPRQSA-N 455.552 2.279 30 10 JEEE COc1cccc(C=Nn2c(CNC(C)=O)nnc2SCC(=O)NC2CCCCC2)c1OC 2330770374 BNWWVKOEWLQGMF-UHFFFAOYSA-N 474.587 2.355 30 10 JEEE Cn1nc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H]3CC[C@H]23)cc1B1OC(C)(C)C(C)(C)O1 2359279553 OJRJFULWPZBLGB-HLLBOEOZSA-N 460.384 2.237 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 2362358246 XWJMGKBAZHRMNS-JKSUJKDBSA-N 460.384 2.191 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)n1 2366675776 ZWKSMKTYCIDVEG-YQQAZPJKSA-N 460.384 2.330 30 10 JEEE C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)OCC(=O)Nc1ccc2c(c1)OCO2 18759890 SKESQENTKRUNAG-DEOSSOPVSA-N 463.446 2.062 30 10 JEEE C/C(=N\Nc1nnc(SCC(=O)Nc2ccc3c(c2)OCCO3)n1N)c1ccc(F)cc1 21323373 WELMJVOJKVAGMM-WYMPLXKRSA-N 457.491 2.469 30 10 JEEE CCOC(=O)[C@@H]1CCCN(C(=O)c2ccc(NC(=O)Cn3c(C)cc(C)c(C#N)c3=O)cc2)C1 21354773 BAKJYSUAYSVROP-LJQANCHMSA-N 464.522 2.391 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)Nc3cccc(S(=O)(=O)N4CCN(CC)CC4)c3)cc2C1=O 25010218 SEAPIRJEYAVYIL-UHFFFAOYSA-N 482.562 2.047 30 10 JEEE COc1cccc(/C=C/C(=O)[C@@H]2CNCC[C@H]2NC(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)c1 585830824 GQCZNELOYRHJGF-OOBHPXJCSA-N 461.518 2.057 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)C[S@@](=O)CC(=O)Nc3cccc([N+](=O)[O-])c3)cc21 586348227 FCEMUQFANWUGLF-JGCGQSQUSA-N 457.464 2.076 30 10 JEEE C=CCn1c(S)nc2cc(C(=O)N3CCN([C@@H](C)C(=O)NC4CCCC4)CC3)ccc2c1=O 728978553 IFWAROGRQAOMJJ-INIZCTEOSA-N 469.611 2.076 30 10 JEEE COc1cc(C=NNc2nnc(SCc3nnc(C(C)(C)C)o3)n2N)cc(OC)c1OC 1084013965 KHXCVZUKQVJIKZ-UHFFFAOYSA-N 462.536 2.437 30 10 JEEE C#CCN(CC#CC)C(=O)c1cccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1 1126568402 GRHQLUXHCKDTFV-UHFFFAOYSA-N 453.539 2.435 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2Cc2cccnc2OCC)c1 1286312104 RCNABEBDYLJFKE-UHFFFAOYSA-N 487.564 2.299 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(Br)cc3)n2CCC(=O)NC(C)C)CC1 1286484014 CMMJQBAVJAHMJD-UHFFFAOYSA-N 489.418 2.290 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2C[C@H](C)N2CCN(CC)CC2)CC1 1286493287 FTYDHECACONRBB-QHCPKHFHSA-N 491.684 2.055 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2CC2(COC)CCOCC2)CC1 1286495318 ZYPZUCCMRYRCNW-UHFFFAOYSA-N 471.627 2.339 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccc(C)c1 1286522171 IFSYKVQYVLHWHT-NFBKMPQASA-N 457.600 2.154 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCN(CC(=O)NCC)CC1 1286564320 GBFOTQYWPGYNHC-DVECYGJZSA-N 486.592 2.236 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2nc(C(F)(F)F)cs2)CC1 1286647077 YTAWYSJBFIRMQO-ZDUSSCGKSA-N 492.549 2.291 30 10 JEEE C=CCCCn1c(COc2ccccc2OCC)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1286706725 UJLHTFLXZDMOAQ-UHFFFAOYSA-N 496.612 2.493 30 10 JEEE C=CCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1286707130 BIFWPYHSSZBOMZ-UHFFFAOYSA-N 464.570 2.485 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1286779917 LJXCVUURIHTLIS-MOPGFXCFSA-N 499.591 2.442 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)OCCOC)nnc1N1CCC[C@]2(C1)OCc1ccccc12 1286780190 MYJVKINWINYMEK-HOYKHHGWSA-N 455.559 2.330 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cn3nc(C)cc3C)n2CC(C)(C)C(=O)NCC)c1 1300337164 UXTINGNCYNEFJM-UHFFFAOYSA-N 490.612 2.358 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@]1(N(C)C)CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1300498087 GOCCZMHOADIJKI-XTJBDQBJSA-N 484.670 2.401 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@H](Cc1ccccc1)OC)[C@H]1CCS(=O)(=O)C1 1300502779 XDZMVWAUMUDBKN-XZOQPEGZSA-N 496.637 2.024 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H](C)N1CCN(CC)CC1 1300619283 UXTZPHGJJHAULV-FQEVSTJZSA-N 476.629 2.160 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCSc2ccccc2)CC1 1300699994 KHJVEUMCFGFROS-LJQANCHMSA-N 459.641 2.118 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H](OC)c2ccc(F)cc2)CC1 1300710776 KVNBWWNJALJYMF-BVSLBCMMSA-N 457.550 2.284 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@@H](C)N2CCC[C@H](C)C2)CC1 1300719980 YARWXNKKLQRICN-VQTJNVASSA-N 451.619 2.370 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CC(F)(F)C2(OC)CCOCC2)CC1 1300722442 JSCGKCQCQGKKDA-LJQANCHMSA-N 495.571 2.316 30 10 JEEE C=C(C)COCCn1c(-c2cn(C)c3ccccc23)nnc1N(C)CC(=O)N1CCOCC1 1300983080 DLXUAVDGWIUPFU-UHFFFAOYSA-N 452.559 2.325 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@@H](C)CC[C@H]1C 1301586361 RUAWPZFKKOVLIF-DLBZAZTESA-N 470.599 2.418 30 10 JEEE CO[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(N2CCCNC2=O)CC1 1315163928 CWDNONKECQTBAV-QGZVFWFLSA-N 453.547 2.148 30 10 JEEE C#CCN(CC#C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCCNS(C)(=O)=O 1358971395 SUGYQUVKAQMTFV-UHFFFAOYSA-N 468.608 2.389 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1cccc(C)c1)N1CCOCC1 1358994211 HPGLSSGHTPWNPQ-BJKOFHAPSA-N 495.649 2.025 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CC[C@H](CO)O1 1359017883 VDFNQNNXKNWJKI-FCHUYYIVSA-N 452.534 2.459 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H]2CCN(CCC)C2)CC1 1359033107 PZAQSOFTEQAOKJ-HXUWFJFHSA-N 452.603 2.449 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CCc2cccc(C(=O)N(C)C)c2)CC1 1359046113 FMIRIODQBQZXRH-UHFFFAOYSA-N 499.619 2.174 30 10 JEEE C=C(C)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1359119589 DBDBPOBZGLAJOK-UHFFFAOYSA-N 471.587 2.083 30 10 JEEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1359203874 XQMLCIKIOMJLFE-HXUWFJFHSA-N 496.678 2.051 30 10 JEEE C=CCn1c(N2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1359290843 RZHLJHGYVSHZQS-DENIHFKCSA-N 467.636 2.336 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N(C)C1CCN(CCn2cccn2)CC1 1359297259 KNULSADRDFUJNP-UHFFFAOYSA-N 462.602 2.353 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2(CC)CCCC2)C1 1359321837 MFGGXRYZSADACE-OALUTQOASA-N 467.636 2.363 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(Cc1cccs1)C(C)C 1359333498 ZNRXVQVXRLDVOM-INIZCTEOSA-N 472.658 2.258 30 10 JEEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N2CCN(c3ccc(C(N)=O)cn3)CC2)n1 1465987607 CIGVDIPWMNTPBE-UHFFFAOYSA-N 450.890 2.245 30 10 JEEE CC(C)Cc1nnc(NC(=O)CCC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)s1 1466736102 GEKDZWZQIZTCJZ-ZIAGYGMSSA-N 450.565 2.331 30 10 JEEE CCOCc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1Cc1nnc(CC)s1 1503112756 HBSPWZAUZYNDQV-UHFFFAOYSA-N 452.588 2.471 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1CCc1ccc(F)cc1Cl)[C@@H]1CCS(=O)(=O)C1 1507631038 KYLYQXXKFUGYKG-QGZVFWFLSA-N 474.949 2.397 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCCCS1)[C@@H]1CCS(=O)(=O)C1 1507638794 GQOVGANNNPXBHE-RTBURBONSA-N 462.645 2.052 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3CC)n2C[C@H](C)N(C)C)CC1 1507741205 XMVSYTKBBULEND-IBGZPJMESA-N 452.603 2.335 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H]2CCOC[C@H]2OC)CC1 1507741410 RXCFVYXMJAGCOY-DXBBTUNJSA-N 487.645 2.214 30 10 JEEE C#CCSCCn1c(Cc2ccsc2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1507754381 DAHHVDVURHLPQV-UHFFFAOYSA-N 459.641 2.372 30 10 JEEE C=C(Br)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1507774794 CHPKACSXYQAHOR-KRWDZBQOSA-N 469.428 2.406 30 10 JEEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2Cl)CC1 1507836854 BOMHZRRRMHKENT-KRWDZBQOSA-N 483.038 2.461 30 10 JEEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1507853070 GOUGSSHWAJVNMH-AWEZNQCLSA-N 484.413 2.492 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CCN(C(=O)C(C)C)CC1 1508075456 WEIVSJHWRWFTHX-UHFFFAOYSA-N 475.391 2.314 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC(CN(C)C(=O)OC(C)(C)C)CC1 1508140858 JYGLWDGTCHJCJD-LJQANCHMSA-N 497.662 2.466 30 10 JEEE C[C@@H](CN1CCCC1)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1510082379 HIVNWFBKAUODNX-FPOVZHCZSA-N 485.658 2.314 30 10 JEEE CC[C@H](C)[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2C#N)CC1)OC 1512759805 HDGRMCODXUGUDN-DSKINZAPSA-N 451.575 2.489 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(C)s1)[C@@H]1CCS(=O)(=O)C1 1539229296 BKLHNJFNRFPNEM-GOSISDBHSA-N 458.613 2.185 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(F)ccc2Br)n1C[C@@]1(O)CCOC1 1539399516 NTIYEEZQTQQHHG-IBGZPJMESA-N 453.312 2.084 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccccc1)N1CCCC1 1539417022 WXENMOICBGPWOL-YADHBBJMSA-N 471.627 2.103 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CC2C[C@H](C)O[C@@H](C)C2)CC1 1539484300 KIRURLLULFMHKP-OALUTQOASA-N 450.587 2.433 30 10 JEEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](c2ccccc2C)C1 1539517457 OBPVGDHPXSRVNZ-FPOVZHCZSA-N 489.667 2.280 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(CC(C)C)C(=O)C1 1539614819 CRCDHIHLNVAXBK-NQIIRXRSSA-N 460.623 2.482 30 10 JEEE C#C[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c1)C1CCOCC1 1539808206 POBORJHEXLEFOA-ZRGWGRIASA-N 454.976 2.296 30 10 JEEE C=CCCOCCn1c(-c2ccccn2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1540026975 NRCQBGAHBLUJPL-HXUWFJFHSA-N 453.591 2.066 30 10 JEEE C=CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1CCCS(=O)(=O)C1 1540044164 NKEIWVKWKNKSQD-MRXNPFEDSA-N 451.980 2.309 30 10 JEEE C=CCn1c(-c2cc(Br)c[nH]2)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1540854377 BKTJVKMEFCYTDU-AWEZNQCLSA-N 458.382 2.252 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CC[C@@H](N2CCCCC2)C1 1540875109 BMPXVNLNVSZFTI-LJQANCHMSA-N 454.575 2.233 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCS(=O)(=O)CC1 1540906917 GQKLGOQBIBUVJF-UHFFFAOYSA-N 496.655 2.125 30 10 JEEE CC(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCN(C(C)=O)C2)C1 1541051582 CJLUSPCKDBECCM-FGZHOGPDSA-N 463.586 2.428 30 10 JEEE CC(C)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1541378687 GGJKHQBJELSQAT-CVDCTZTESA-N 473.599 2.151 30 10 JEEE CC(C)CN1CCC[C@@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(CC#N)CC2)C1 1541551333 CDRYUIOPRDOBDB-UYAOXDASSA-N 465.668 2.386 30 10 JEEE C[C@H](N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCS(=O)(=O)C2)CC1)C(F)(F)F 1541897251 CRWFAZIKVULXRW-RDJZCZTQSA-N 482.532 2.324 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCN(c2ccccc2OC)C1 1587640786 VHYOAIHXVPCKPS-GBESFXJTSA-N 457.600 2.173 30 10 JEEE C#CCCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(C(=O)NCC)CC1 1587712363 RSSMCCWOTUBWSW-UHFFFAOYSA-N 486.646 2.202 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc(F)cc1Cl 1588181283 QJROJEGZXFFFTE-HNNXBMFYSA-N 451.955 2.386 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCC1CCOCC1 1588647486 VSUUCBLHWJJQMD-HXUWFJFHSA-N 477.606 2.489 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccc3F)n2C[C@@]2(C)CN(C)C2=O)n1 1588723520 OCPNNJHGTWPYIA-XMMPIXPASA-N 465.533 2.045 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3OCC)n2CC2([S@@](C)=O)CCC2)CC1 1588872219 ZOAPEYXEVIFEOY-MGBGTMOVSA-N 471.627 2.312 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2cccc(F)c2)CC1 1594241191 IRWCTVSINJNWLP-HXUWFJFHSA-N 463.579 2.395 30 10 JEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](CC)N1CCc2ccccc2C1 1594963831 XXXQZEUIVCCHAL-FCHUYYIVSA-N 488.658 2.070 30 10 JEEE C=CCn1c(-c2nnc(O)c3ccccc23)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1595387131 SJYPHINAIXDNCM-HOTGVXAUSA-N 451.531 2.147 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1595577495 URTSFALZGOFYKF-UHFFFAOYSA-N 470.574 2.382 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N(C)C1CCC2(CC1)OCCO2 1595594139 KSZLFVNNDUHJSV-UHFFFAOYSA-N 471.558 2.290 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCS[C@H](C(C)C)C1 1595837702 BQZKVMDJHVWLPY-BZSNNMDCSA-N 458.650 2.181 30 10 JEEE C=CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)NCC)CC1 1595901294 SDAJBYZUNZAIBS-UHFFFAOYSA-N 455.588 2.499 30 10 JEEE CC(C)(C)[S@@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1597706072 FWFVUOXTUOQBBG-ASPBEGMCSA-N 469.615 2.404 30 10 JEEE CC(C)CCN1CCC(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCNC(=O)C2)CC1 1607157874 FYXINDGPUHLPKH-UHFFFAOYSA-N 465.602 2.423 30 10 JEEE CCN(CC)C(=O)CN1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)COC)CC1 1615325136 AUBRJYQSYWJIDE-FQEVSTJZSA-N 467.618 2.480 30 10 JEEE N#Cc1ccc(CN2CC[C@@H](NC(=O)CCS(=O)(=O)c3ccc4c(c3)CCC4)C2=O)cc1 1635701020 ICRCOTSUXSPXMF-JOCHJYFZSA-N 451.548 2.128 30 10 JEEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)N1CCN([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 1637266187 HGNKPESFOFPRIP-SFHVURJKSA-N 457.575 2.362 30 10 JEEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC(n3cnc4ccccc4c3=O)CC2)c1 1640781206 JYBDUIQWGWRFEO-UHFFFAOYSA-N 452.536 2.338 30 10 JEEE C[C@@H]1CN(CCCn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H](C(N)=O)C2)C[C@@H](C)O1 1649557690 GRXJNAZBEPPJHU-OPYAIIAOSA-N 451.575 2.018 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCC[C@H]1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1681943964 XQJCDLWHYJRZTB-QYZOEREBSA-N 450.580 2.221 30 10 JEEE C#CCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1689938317 HXUDGOKBFRHDHE-UHFFFAOYSA-N 451.980 2.396 30 10 JEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1C[C@@](C)(O)CCOC)[C@@H]1CCS(=O)(=O)C1 1689982794 USUMSENSRMEWAD-NQIIRXRSSA-N 466.991 2.013 30 10 JEEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ccc(C(N)=O)cc1 1690047639 VSNQRLZYIDCZNI-UHFFFAOYSA-N 468.565 2.062 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCSCc1ccccc1 1690047734 XSZAIDCMWLFQNF-NRFANRHFSA-N 487.651 2.007 30 10 JEEE C#CCN(CC)c1nnc(Cc2cn3ccccc3n2)n1CC[C@@H](C(F)F)N1CCOCC1 1690080212 KHHVDUZUKQGUAB-IBGZPJMESA-N 457.529 2.332 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2nccnc2C)CC1 1690152516 NZAXOIUYMDYCIM-UHFFFAOYSA-N 484.564 2.036 30 10 JEEE C#CCSCCn1c(N2CCC[C@@H](NC(=O)OCC)C2)nnc1[C@]1(OCC)CCOC1 1690186092 LIDMYKQYMMGKOT-UTKZUKDTSA-N 451.593 2.012 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(OC(F)F)cc1 1690288325 RRWLUMOHCPOISF-QGZVFWFLSA-N 471.530 2.425 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(Cc2csc(C)n2)CC1 1690662015 ONLNZIGJGWQVPT-UHFFFAOYSA-N 497.625 2.352 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCc2nc(C)no2)C1 1690689668 JMYRFTDALHVPKE-GOSISDBHSA-N 472.571 2.454 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C2CC2)C(=O)C1 1690715017 BACIQZFZBWUNIL-LJQANCHMSA-N 487.626 2.447 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N(C)C[C@@H]1COc2ccccc2O1 1690722859 YANFINYMPXGDOT-QGZVFWFLSA-N 457.556 2.161 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2c(F)cc(F)cc2[C@H]1C 1690723581 WHBVEPPDNDJURF-ACJLOTCBSA-N 465.526 2.232 30 10 JEEE CNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2cccs2)CC1 1697016207 ABKPWOQEMFYEKC-UHFFFAOYSA-N 451.556 2.494 30 10 JEEE COCC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC2CCOCC2)CC1 1697714604 BJENFLQQZMAVAE-UHFFFAOYSA-N 452.559 2.365 30 10 JEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(Cc2ccccc2)CC1 1705510732 XGOUTTWUWCOOJG-HXUWFJFHSA-N 458.632 2.404 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CCCc1c[nH]nc1C)[C@@H]1CCS(=O)(=O)C1 1705568364 LZMOYXFUIAZLSJ-OAQYLSRUSA-N 482.610 2.457 30 10 JEEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1CCCN1CCCO[C@@H](C)C1 1705600129 MXBUIBBTEYAPJR-QFIPXVFZSA-N 459.598 2.480 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CC[C@@](C)(O)c2ccccc2)CC1 1705648551 UIHUGDPLMJUFJR-NBGIEHNGSA-N 451.571 2.046 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2Cc2ccc(OC)c(OC)c2)CC1 1705649548 ATKPNDCXYRBBCR-UHFFFAOYSA-N 474.565 2.295 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCN1CCOC1=O 1705714132 FYSHLQNCGLKCLZ-UHFFFAOYSA-N 451.531 2.437 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H]1CCN(Cc2ccccc2)C1 1705736832 DPLRIRTVBNZORE-FGZHOGPDSA-N 473.643 2.484 30 10 JEEE C=CCC(C)(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C(C)=O)CC1 1705788707 KIBWHPVOLBOJPS-UHFFFAOYSA-N 474.631 2.466 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN([C@@H](C)c2nc(CC)no2)CC1 1705898108 BAVHVLOOMXQEMW-KRWDZBQOSA-N 480.573 2.085 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nc2cccc(Cl)c2n1C 1706074963 HKERFDBYCRSJQT-KBPBESRZSA-N 461.979 2.364 30 10 JEEE COc1ccc(Br)c(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2Cc2nnn(C)n2)c1 1711713427 BMICZJNSABLRLO-IBGZPJMESA-N 472.351 2.418 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCN1CCOC(C)(C)C1 1722302455 SAXIYLNXIFLOHB-HSZRJFAPSA-N 479.673 2.212 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCCOC(F)F)[C@H]1CCS(=O)(=O)C1 1722366058 QRDVJNLIWVMEBP-ZDUSSCGKSA-N 492.346 2.292 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H](c1ccccc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1722368980 UVIUOFKSVQQCAY-FSSWDIPSSA-N 471.627 2.102 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H](c1ccccc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1722368982 UVIUOFKSVQQCAY-VSKRKVRLSA-N 471.627 2.102 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](c2noc(C(C)C)n2)C1 1722460796 ZGGLGUZMKYJRPY-IAGOWNOFSA-N 478.644 2.437 30 10 JEEE C#CCSCCn1c(N2CC(C)(C)O[C@]3(CCOC3)C2)nnc1[C@@]1(OCC)CCOC1 1722464039 SXCUQVHPGHWCNS-FGZHOGPDSA-N 450.605 2.071 30 10 JEEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H]1c1nncn1C 1722494324 OVPRADIXFZVEDJ-ZNMIVQPWSA-N 452.357 2.381 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(OC)ccc1OC 1722517958 QMZNKOHCEMQDQU-FQEVSTJZSA-N 479.603 2.079 30 10 JEEE C=CCOc1ccccc1Cn1c(COCC)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1722708175 LOHZKSJXFHRDEU-OFNKIYASSA-N 482.629 2.417 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Br)c2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1722724261 RNBMUHRVJFLLDA-HZPDHXFCSA-N 497.371 2.423 30 10 JEEE C=CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1722735687 SCHQLKVRUMSMEO-UHFFFAOYSA-N 487.586 2.347 30 10 JEEE CC(=O)N1CCN(CCn2c([C@H](C)Oc3ccccc3F)nnc2N(C)C[C@H](C)C#N)CC1 1722795346 HRJFKZXNBVLQPV-MSOLQXFVSA-N 457.554 2.317 30 10 JEEE CCN1CCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1728575440 IDDABGPTZATMPO-PZJWPPBQSA-N 471.631 2.067 30 10 JEEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(C)s1)[C@@H]1CCS(=O)(=O)C1 1740617173 NGVBRVLCKYGXHH-XMSQKQJNSA-N 478.640 2.364 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(C)c(Br)c2)n1CC(=O)NCC(F)F 1740636608 WFKRIDKCYDCABT-UHFFFAOYSA-N 450.287 2.470 30 10 JEEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1CCc1cccc(C(N)=O)c1 1740655129 YLHNLOZRAMXYBX-UHFFFAOYSA-N 451.534 2.321 30 10 JEEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCc1nc2c(s1)CCCC2 1740662953 ZQIUFFRFVXWGLD-HNNXBMFYSA-N 450.634 2.316 30 10 JEEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H](C)CN1CCN(CC)CC1 1740670300 OJVNNZLCQJLOJL-JOCHJYFZSA-N 479.677 2.185 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1740701417 GTPWIDKJCMIDEN-OAQYLSRUSA-N 473.581 2.041 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CCCNc2ccccn2)CC1 1740707118 PJSRCAWENBFERZ-UHFFFAOYSA-N 458.570 2.127 30 10 JEEE C=CCCCCCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCS(=O)(=O)C1 1740857696 VRTHQYXZCYMRJV-ROUUACIJSA-N 458.650 2.188 30 10 JEEE C=CCn1c(N2CCN(Cc3cc(OC)cc(OC)c3)CC2)nnc1[C@@]1(OCC)CCOC1 1740949890 WOXDYZXSNOCNHF-XMMPIXPASA-N 457.575 2.456 30 10 JEEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1740962619 JOZKIXMRUBDXSA-UHFFFAOYSA-N 454.575 2.485 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2cccc(C(=O)NC)c2)C1 1740972809 NCURYLSIPKJCHP-GBXCKJPGSA-N 455.559 2.119 30 10 JEEE CC(C)CN1CCO[C@@H](Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)Cc2ccc(C#N)cc2)C1 1741571505 FSJHPRPSRIEJJF-RTWAWAEBSA-N 451.575 2.094 30 10 JEEE CNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCN(C(C)C)CC2)C1 1748170656 BKAQNLYILBEEFA-NRFANRHFSA-N 465.602 2.014 30 10 JEEE C#CCCCn1c([C@H]2CCCOC2)nnc1N1CCN(C[C@@H](O)COc2ccccc2)CC1 1748750783 OVZDEFMWQRKLMI-FCHUYYIVSA-N 453.587 2.147 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCN(C)[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1748810245 UXKAWILAZGOWLZ-RXVVDRJESA-N 454.600 2.174 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCN(C)CC(F)(F)F)CC1 1748971530 UJLISPODSLIXCF-UHFFFAOYSA-N 477.535 2.397 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2CCCSC2)CC1 1748979672 ISFGLTRRYZTZTG-SFHVURJKSA-N 459.641 2.247 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCOCC(C)C)CC1 1748979712 JNNWIEFPPFQTCH-UHFFFAOYSA-N 459.616 2.167 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@@H]2CCCCN2CCC)CC1 1749017033 TWGWAUVITXQHMF-QHCPKHFHSA-N 463.630 2.494 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)CCC(=O)NC 1749128103 RWJWCAAXQBONOQ-VGOFRKELSA-N 479.585 2.228 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)Cc2cccc(F)c2)CC1 1749227087 ZZSUDJZNUZVWLL-NRFANRHFSA-N 484.576 2.242 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1ccco1 1749670788 WHMBNYRLUJMGLV-KRWDZBQOSA-N 460.535 2.118 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cc(C)nc(N3CCCC3)c2)C1 1749697375 JMTPFYUIDYHHBE-QUCCMNQESA-N 489.646 2.022 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C(F)(F)F)CC1 1749721140 AYYNKBNBGNRBDC-UHFFFAOYSA-N 472.493 2.305 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H]1CC=CCO1)[C@@H]1CCS(=O)(=O)C1 1760182512 JRYUWCRKEYLNJE-RTWAWAEBSA-N 483.594 2.119 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CC1CCN(CCC)CC1)[C@@H]1CCS(=O)(=O)C1 1760187991 MPRPWNNFZYZFIL-NHCUHLMSSA-N 463.648 2.268 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1CC[C@@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1760190024 NUNIKHPXUILCGI-RTWAWAEBSA-N 472.611 2.463 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1Cc1ncc(CC)s1)[C@@H]1CCS(=O)(=O)C1 1760191013 ZGKUQRIWHPOUHY-MRXNPFEDSA-N 476.653 2.328 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccc(OC)cc2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1760209533 DNKOKDXHFYKAHA-NFBKMPQASA-N 497.621 2.143 30 10 JEEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1ccc(N2CCCCCC2)nc1 1760251269 VGQQDKJNEKXAIM-UHFFFAOYSA-N 465.602 2.310 30 10 JEEE C#CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1760281037 WSKDXNFHKITJBG-IBGZPJMESA-N 493.637 2.346 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(=O)Nc1c(C)cccc1C 1760290199 YQSLBIWHFZJFPG-VGOFRKELSA-N 458.588 2.136 30 10 JEEE C=CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1760509670 YZVLWVYUSSDHKF-UHFFFAOYSA-N 475.475 2.273 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1760520159 DNRABYIXECIQAI-UHFFFAOYSA-N 461.448 2.491 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1760551054 RXVLOJQRXWXJHK-KRWDZBQOSA-N 485.570 2.257 30 10 JEEE C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CC1(S(C)(=O)=O)CCC1 1760700464 GIEVKOXNISGYAN-HOTGVXAUSA-N 479.628 2.042 30 10 JEEE Cc1csc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCCN(S(C)(=O)=O)CC2)n1 1762236987 HHBHBQGFLWQJHQ-UHFFFAOYSA-N 457.585 2.102 30 10 JEEE CCc1ccc(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C#N)CC2)cc1 1762620238 GGVYHCAGQBHHIJ-NRFANRHFSA-N 472.615 2.156 30 10 JEEE CCC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(C(N)=O)nc2)CCO1 1763979152 GEHRVWWIJDGART-FQEVSTJZSA-N 461.526 2.276 30 10 JEEE COC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC2(O)CCOCC2)CC1 1767916548 HBGDNTOGADXNOP-UHFFFAOYSA-N 469.542 2.050 30 10 JEEE COCCN(C)S(=O)(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)SC)C1 1771085716 GSSPMOIGQYEMIE-YLJYHZDGSA-N 492.671 2.445 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2CCCC2)CC1 1772660363 LLJMTSFVFFKFPY-UHFFFAOYSA-N 454.600 2.482 30 10 JEEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1862746898 FRBTURPGVYWSBX-JEOXALJRSA-N 485.405 2.233 30 10 JEEE CCCCCCCCn1cc(OCC(=O)NC[C@@H]2CCCO2)c(=O)cc1CN(C)CCO 1870545536 WAXYJCUZORRJLK-NRFANRHFSA-N 451.608 2.307 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)COc2nonc2C(=O)N2C[C@@H](C)C[C@H](C)C2)nc1C 1872679012 VUAPQMQLJBMTKS-RYUDHWBXSA-N 463.516 2.313 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)COc2nonc2C(=O)N2C[C@H](C)C[C@@H](C)C2)nc1C 1872679014 VUAPQMQLJBMTKS-VXGBXAGGSA-N 463.516 2.313 30 10 JEEE CO[C@@H]1CN(C(=O)c2csc(B3OC(C)(C)C(C)(C)O3)c2)C[C@H]1NC(=O)OC(C)(C)C 2255844705 ASKHSUCSEWIYBT-HUUCEWRRSA-N 452.382 2.411 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)s1 2256613911 KNVNRYKHKKIUGW-UKRRQHHQSA-N 452.382 2.034 30 10 JEEE C[C@H]1C[C@@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)CN(C(=O)OC(C)(C)C)C1 2256614263 MHAWJKDXAHOAKT-QWHCGFSZSA-N 452.386 2.091 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@]2(NS(=O)(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267377824 KVKKQWLDZVMIRE-OYHNWAKOSA-N 464.393 2.274 30 10 JEEE C[C@H](c1nscc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)[C@H](CCO)NC(=O)OC(C)(C)C 2268721585 NHUPZKJLGKPMRV-HIFRSBDPSA-N 469.413 2.237 30 10 JEEE CC1(C)OB(c2cscc2S(=O)(=O)N[C@H](COCc2ccccc2)CC(=O)O)OC1(C)C 2269036512 DCGULVWWYXRYHK-INIZCTEOSA-N 481.401 2.386 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1CO[C@@H](CNC(=O)OC(C)(C)C)C1 2281963165 IRGBJASYVWEBOQ-LSDHHAIUSA-N 481.424 2.410 30 10 JEEE CC(C)[C@@H]1[C@@H](NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CCN1C(=O)OC(C)(C)C 2282063091 HMYDWSIKBIEPFK-DLBZAZTESA-N 462.400 2.483 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(C(=O)N2C[C@H](O)C[C@H]2CNC(=O)OC(C)(C)C)c1 2282108654 BGWFCMGMERZFRJ-RBUKOAKNSA-N 460.380 2.394 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1OC 2282121196 ACFZLQSFTUZCPU-AEFFLSMTSA-N 463.384 2.171 30 10 JEEE COCCN(CCNS(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)OC(C)(C)C 2282348157 IBBGXOFBEPSAGH-UHFFFAOYSA-N 484.424 2.148 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C 2282536489 CYEPPAMZRGMFIM-LBPRGKRZSA-N 476.305 2.295 30 10 JEEE Cn1nc(C(=O)NCCOCCCNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2282543484 LARCWIHDFWHGLM-UHFFFAOYSA-N 486.806 2.034 30 10 JEEE CC(C)(C)OC(=O)N1CCN(CCCNC(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)CC1 2282628372 UFGOQRAKZCADOE-UHFFFAOYSA-N 463.384 2.251 30 10 JEEE C[C@@H]1CCN(S(=O)(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)C[C@H]1NC(=O)C(F)(F)F 2282843343 LYHYUCBOAJMNJL-CZUORRHYSA-N 476.326 2.063 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2CCCN(C(=O)c3nccnc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2283068354 JEQYZTAINWQPDT-CVEARBPZSA-N 458.368 2.247 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCOC[C@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2284023756 XQXKMHMOOWBSMO-GDBMZVCRSA-N 465.331 2.388 30 10 JEEE CC(C)(C)OC(=O)N[C@H](C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)s1)[C@@H](O)C(F)(F)F 2284061104 UVGGZAOLGCVREZ-UONOGXRCSA-N 494.341 2.480 30 10 JEEE Cc1nc(C)c(C(O)=C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc([N+](=O)[O-])cc2)s1 2296079105 CRGVOEJXYIMQQG-GOSISDBHSA-N 472.523 2.422 30 10 JEEE C[C@]12CC[C@H]3[C@H](CC[C@]4(O)C[C@H](O)CC[C@]34C=NN3CCOCC3)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1 2297639206 CERLQMOZFXRTGG-WZWMQPAESA-N 488.625 2.017 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@]12CC[C@H]1CN(C(=O)OC(C)(C)C)C2 2362348467 RNIAZLNHVMZACN-WNSKOXEYSA-N 460.384 2.096 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@@]3(CCN3C(=O)OC(C)(C)C)C2)n1C 2362573224 KATMZWFITLYWGL-HSZRJFAPSA-N 460.384 2.253 30 10 JEEE C/C(=N\Nc1nnc(SCC(=O)Nc2ccc3c(c2)OCCO3)n1N)c1ccccc1O 59829722 IAYZRCRGQSFQOR-FSJBWODESA-N 455.500 2.036 30 10 JEEE Cc1ccc(S(=O)(=O)/N=C(/CN2CCCC2)N2CCN(S(=O)(=O)c3ccc(C)cc3)C2)cc1 103781247 ACFMYQMRSZJNKD-VHXPQNKSSA-N 490.651 2.450 30 10 JEEE C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(OC)cc2)SC1=Nc1ccc(S(N)(=O)=O)cc1 254385140 STVQECJDDFDOJU-SFHVURJKSA-N 474.564 2.489 30 10 JEEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2cc([N+](=O)[O-])ccc2Cl)c(=O)n1CCc1cccnc1 727814202 OFEKQFNZWAVVHJ-UHFFFAOYSA-N 497.964 2.137 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)O[C@H](C)C(=O)NCCc3ccc4c(c3)OCCO4)cc2C1=O 853260695 DRIGADVFELYIMT-OAHLLOKOSA-N 464.474 2.144 30 10 JEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 1136745241 QRIWXFFFOPVRHV-RTWAWAEBSA-N 454.571 2.243 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(C(=O)c3ccc(C)s3)CC2)s1 1142105218 RASUUUYOSGHCOW-UHFFFAOYSA-N 453.611 2.109 30 10 JEEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCC[C@@H](C(=O)N[C@H]4CCC[C@H](O)C4)C3)n[nH]2)c1C 1154356075 PYRPTGLERZTDHO-QYZOEREBSA-N 454.575 2.348 30 10 JEEE C[C@H](C(=O)Nc1ncccc1O)[C@@H](C)NS(=O)(=O)c1cc(Br)cc(C#N)c1 1193729517 FULABOZEGZCRKP-WDEREUQCSA-N 453.318 2.363 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2CC(=O)NCc2ccco2)c1 1286309515 LMTRTCNJGYURGA-UHFFFAOYSA-N 471.521 2.249 30 10 JEEE C#CCCCn1c(N2CCC(Oc3ccnc(C(N)=O)c3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1286359353 CMZVXTCAGBIDHW-RUZDIDTESA-N 482.585 2.274 30 10 JEEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCCN1CCCO[C@@H](C)C1 1286379029 CFWYPNDWIXTWMM-DEOSSOPVSA-N 479.673 2.213 30 10 JEEE C#CCN(c1nnc(-c2ccccc2F)n1CCCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1286386923 JXRJEMSKBGSGNA-SFHVURJKSA-N 456.547 2.306 30 10 JEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1CCC[C@@H]1OC 1286402431 ZMMJFZZVFHMZRW-MOPGFXCFSA-N 454.600 2.435 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc4ccccc4n3)n2CC(=O)N(C)C)n1 1286471594 NRINAEXIHFAXGH-UHFFFAOYSA-N 472.553 2.064 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2Cc2cccnc2OCC(F)(F)F)CC1 1286479325 GUSWHGFOUXOOPH-SFHVURJKSA-N 464.492 2.312 30 10 JEEE C=C(C)COCCn1c(-c2ccc(C)o2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1286603625 VKWIPVGYRQFYNW-NQIIRXRSSA-N 456.591 2.428 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCc2cc(OC)c(OC)cc2CC1 1286787226 CSWTVJSQNVCPPV-IBGZPJMESA-N 455.559 2.097 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N(C)C1CCC(NC(C)=O)CC1 1286788772 FYIDSSNWUPELRA-UHFFFAOYSA-N 454.575 2.063 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H](OC)C(C)(C)C1 1286815082 KVGHEQSOVAOSFR-OAHLLOKOSA-N 472.409 2.498 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CCC(C(=O)OC)CC1 1286822559 FYNCPYZPUPOIDN-UHFFFAOYSA-N 462.572 2.156 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCc3c(C)cccc3C2)nnc1[C@@]1(OCC)CCOC1 1286825440 RBPVYABHIQDBPQ-HSZRJFAPSA-N 460.600 2.402 30 10 JEEE CC(C)[C@@](C)(O)Cn1c(Cc2cccnc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1291194977 HYCBERSCYXQFHK-UUOWRZLLSA-N 461.574 2.048 30 10 JEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1300421792 RJJNLWFJODZZMF-QFIPXVFZSA-N 453.572 2.169 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC1(Cc2ccc(F)cc2)CC1)[C@@H]1CCS(=O)(=O)C1 1300479157 JIUQWJLZIBUXPO-HXUWFJFHSA-N 487.601 2.205 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1CC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1300488545 FDPYAMKTPPDUMO-OAHLLOKOSA-N 452.964 2.005 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCC(C)CC1 1300537724 JMVCNQKBTDWTBK-NRFANRHFSA-N 470.618 2.391 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2Cc2cc(F)ccc2N2CCOCC2)n1 1300675985 JKIGGNXXILNMMG-UHFFFAOYSA-N 467.549 2.093 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2cc(COC(C)(C)C)on2)CC1 1300681845 CWZSTMSILVNPSC-UHFFFAOYSA-N 471.606 2.303 30 10 JEEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2CCN2CCSCC2)CC1 1300708121 OGASWRUMCBDARS-UHFFFAOYSA-N 454.644 2.278 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CCO[C@@H]2C(=C)C)CC1 1300728697 DNCHNCAFBKRAQT-FYYLOGMGSA-N 465.602 2.087 30 10 JEEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1300746464 SNUIJZKYZGQPKM-UHFFFAOYSA-N 499.637 2.404 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1301485667 ZWIYDLAFNYHRSA-LSDHHAIUSA-N 462.304 2.124 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2nc(C)c(C)s2)CC1 1301588843 KPBQKPJPZGGBDF-GOSISDBHSA-N 480.660 2.173 30 10 JEEE C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(Cl)c1 1303638583 AKONEFHUDHHZPX-RHSMWYFYSA-N 452.968 2.051 30 10 JEEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CCNC(=O)OC(C)(C)C 1303770991 HIOMABPALQRQQW-HNNXBMFYSA-N 462.576 2.211 30 10 JEEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCN(C)C2CCCC2)C[C@H]1OC 1316333885 HPBMJFDXJWQEOL-SZPZYZBQSA-N 454.575 2.453 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1(O)CCN(C(C)C)CC1 1358889828 HHEMYDLFXAEBEA-FQEVSTJZSA-N 466.634 2.145 30 10 JEEE C#CCCCn1c(-c2ccccc2OC)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1358925890 VRBVNMUOZNZIRD-FQEVSTJZSA-N 450.587 2.500 30 10 JEEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ccc(CS(C)(=O)=O)cc1 1358948414 BYPPVBJXURCEBQ-UHFFFAOYSA-N 479.610 2.114 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1CC(=O)N(C)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 1358964444 ZFECWUKZJOWIOM-IBGZPJMESA-N 463.648 2.285 30 10 JEEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(N2CCOCC2)CCCCC1 1358970669 UXQQUFIOZKNJRL-SANMLTNESA-N 469.630 2.427 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCN1CCOCC1(C)C 1358976972 YQPXRFZMUPQNGR-UHFFFAOYSA-N 487.608 2.420 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2Cc2cccc(C(=O)N[C@H](C)CC)c2)CC1 1359036122 NURZRUCVDRGNAO-DENIHFKCSA-N 450.587 2.114 30 10 JEEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2CCCOC[C@@H]2CCOC2)CC1 1359037154 XSMCRQOMYIZXJH-IBGZPJMESA-N 459.541 2.346 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2cccc(F)c2)CC1 1359056718 KGKNXZGROMDKSU-IBGZPJMESA-N 477.631 2.008 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1359096416 BIRXHCYDVKDMMK-YLJYHZDGSA-N 475.619 2.015 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC(Oc2ncccc2F)CC1 1359302693 QJKWEDGALOLHAJ-UHFFFAOYSA-N 451.506 2.148 30 10 JEEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1359303756 ZWVPIOXXNHYALO-NVXWUHKLSA-N 453.465 2.358 30 10 JEEE C=CCOc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCN(CC(C)C)C(=O)C2)cc1 1359308262 IWPGCDLGHAGZIG-FQEVSTJZSA-N 487.626 2.098 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(C(=O)NC)CC1 1359328906 RLYKKZWTHDSBOP-UHFFFAOYSA-N 474.631 2.305 30 10 JEEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C(F)F)C1 1359343623 XIGPHFLWUCNTEN-CABCVRRESA-N 465.592 2.012 30 10 JEEE C[C@H]1C[C@H](NC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c2ccsc2S1(=O)=O 1470032416 HTKDVIONDXDSEM-KKXDTOCCSA-N 458.565 2.327 30 10 JEEE C=CCC1(O)CCN(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OCC)CC1 1475855905 ZAYULGKYVHWCPE-UHFFFAOYSA-N 453.561 2.041 30 10 JEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 1507563357 GCJQTXHNMPMWOP-OAQYLSRUSA-N 475.659 2.459 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCc2c(F)cccc2F)CC1 1507736855 UNUFLHXCWDGBOX-VWLOTQADSA-N 487.551 2.417 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2CC2(O)CC(OCC)C2)CC1 1507742292 GEXCBHJRIBDNPU-UHFFFAOYSA-N 487.551 2.043 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1507803807 IXTJOMCHMZZIOV-CVDCTZTESA-N 487.674 2.262 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CCN1CCOC(C)(C)C1 1508098889 SRHGTYLOPLYZFN-UYAOXDASSA-N 462.639 2.046 30 10 JEEE CCN(CC)[C@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1515593597 AFRMWJZTXRXKLS-QUCCMNQESA-N 473.647 2.313 30 10 JEEE COc1ccncc1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1518546927 CISLJZMJHJHMFC-MRXNPFEDSA-N 470.555 2.050 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC[S@](=O)C(C)(C)C 1539002941 YSJQEHICHIGPGE-JGVYIQDASA-N 450.634 2.243 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1sccc1Br)[C@@H]1CCS(=O)(=O)C1 1539216171 ONNOLBAZLLWWIV-CQSZACIVSA-N 495.428 2.178 30 10 JEEE C#CCN(CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC1([S@](C)=O)CC1 1539376813 HWURFOUNEZLGRL-YTTGMZPUSA-N 454.644 2.013 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@H]2CCSC2(C)C)CC1 1539469770 VBZOJTPKMFBBFE-HKUYNNGSSA-N 463.648 2.500 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@@]2(O)CCO[C@H]2C)CC1 1539470412 ORWGCBKBXJLDBR-BVZFJXPGSA-N 451.571 2.013 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[C@H](C)N(C)Cc2ccccc2)CC1 1539477729 WVYLGWJQXNBICP-NZQKXSOJSA-N 491.640 2.106 30 10 JEEE C=C(C)COCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCOC[C@@H]1C 1539751099 ZXSVCADKYQGLRZ-ROUUACIJSA-N 451.568 2.404 30 10 JEEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1 1540033654 OCLDEHUCQCPBQJ-IBGZPJMESA-N 472.977 2.438 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nnc(C)s1 1540133607 LWEWGRVONOQOEO-SFHVURJKSA-N 489.627 2.012 30 10 JEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC(=O)Nc1cc(Cl)ccc1Cl 1540352253 FXTFWOMJKGSDMK-LLVKDONJSA-N 455.323 2.287 30 10 JEEE CC(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)NC(C)(C)C)C1 1541051464 BBWXFYKGWXCOIR-IBGZPJMESA-N 451.575 2.474 30 10 JEEE C=CCn1c(SCC(=O)N(C)[C@@H](COC)C(N)=O)nnc1-c1ccc(Cl)cc1Cl 1556789997 YQXXZCFESUAMIL-AWEZNQCLSA-N 458.371 2.489 30 10 JEEE C=C(CC)CNC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 1570327140 DNJPUSGSVKPHKR-AWEZNQCLSA-N 455.886 2.354 30 10 JEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 1587765769 JSKSRSSEGQSCMA-SFHVURJKSA-N 472.571 2.219 30 10 JEEE C#CCCCn1c(Cc2ccncc2)nnc1N1CCCN(Cc2nc([C@H](C)OC)no2)CC1 1587869963 URYSPINBWQEEGI-IBGZPJMESA-N 464.574 2.480 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1CC1(S(C)(=O)=O)CCCC1)[C@H]1CCS(=O)(=O)C1 1588045578 MXLBRYZQSWPLGC-IBGZPJMESA-N 490.651 2.238 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 1588074134 JUHRFPXJAIMRON-LJQANCHMSA-N 454.575 2.234 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@]1(N(C)C)CCSC1 1588219097 KVOOWEOSSYHKKK-DEOSSOPVSA-N 461.595 2.494 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCN(C)c2ccccc2)CC1 1594240855 BBRFKIWYQIINLY-OAQYLSRUSA-N 474.631 2.150 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)C 1595075235 BDPWCQIUJFUSHU-FQEVSTJZSA-N 463.604 2.468 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1595250396 DKXKBKVTUGEANS-QZTJIDSGSA-N 482.507 2.320 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1595556148 PGPGVHYARWBAQA-BVZFJXPGSA-N 482.585 2.283 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 1595788476 AUEZVVCBUMESGJ-SFHVURJKSA-N 458.588 2.315 30 10 JEEE C#CCN(C)CCCNC(=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)c1 1636805869 NZJRURRSJSLBKZ-UHFFFAOYSA-N 457.552 2.334 30 10 JEEE CCOC(=O)c1cc(NC(=O)N2CCN(c3ccc(C#N)cc3)CC2)cc(S(C)(=O)=O)c1 1669092098 DVLWAXBSRAHSBJ-UHFFFAOYSA-N 456.524 2.493 30 10 JEEE C#CCN(C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H](N1CCOCC1)C(F)(F)F 1689955635 OIRDVUIBMUKKQB-SFHVURJKSA-N 453.465 2.295 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@H]1N(C)CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1689986778 WYLNGOOCFAIRLT-AZUAARDMSA-N 458.632 2.031 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1CCc1cnc2c(Cl)cnn2c1)[C@H]1CCS(=O)(=O)C1 1689990304 NPYOTBQDRKGFGE-KRWDZBQOSA-N 490.033 2.432 30 10 JEEE C#CCN(CC#CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCS(=O)(=O)CC=C 1690047350 OODOTCYEHFAQRE-UHFFFAOYSA-N 489.642 2.456 30 10 JEEE C#CCSCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1690159976 SKFFDYSUIOPEGZ-UHFFFAOYSA-N 487.536 2.500 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCNS(C)(=O)=O 1690600785 DIVPASNOJQKJOU-INIZCTEOSA-N 454.597 2.078 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCO[C@H](c2noc(C)n2)C1 1690665627 KHBOCBBUYNGWEO-KRWDZBQOSA-N 473.921 2.179 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1690684819 PFBGNELYYSVUTF-ICSRJNTNSA-N 473.599 2.363 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1690720274 DLZMRKWCZFYSSC-UHFFFAOYSA-N 483.554 2.176 30 10 JEEE CC(C)(C)S(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C#N)C1 1691320412 GAOITHYRFJDWJD-KRWDZBQOSA-N 451.980 2.464 30 10 JEEE Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C#N)C3)n2Cc2ccc(OC(C)(C)C)nc2)n1 1693428845 CQPITQIGYNDEBJ-LJQANCHMSA-N 450.547 2.489 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCn1cc([C@H]2CCOC2)cn1 1705494588 CDFFPMWSOGMQPD-IRFCIJBXSA-N 499.616 2.445 30 10 JEEE C#CCN(c1nnc(-c2ccccc2)n1CCn1cc(Br)cn1)[C@H]1CCS(=O)(=O)C1 1705564805 QIZPSTZADRNLBV-SFHVURJKSA-N 489.399 2.231 30 10 JEEE C#CCN(c1nnc(COc2ccccc2OC)n1C[C@H]1OCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1705568964 XLYPNRXBSGBDHE-GHTZIAJQSA-N 488.610 2.308 30 10 JEEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(COCC(F)(F)F)cc2)CC1 1705642582 YYXAUYSEIQJMMU-UHFFFAOYSA-N 490.530 2.283 30 10 JEEE C=C(Br)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1705681764 DBDBQOPYQPKLQV-UHFFFAOYSA-N 493.793 2.434 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C(F)(F)F)n1)C1CC1 1705854865 PXOFHJKVIZEQTN-INIZCTEOSA-N 486.520 2.228 30 10 JEEE CC(C)(Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](C#N)C1)NC(=O)OC(C)(C)C 1706196613 AAVNTVYYAGZPOR-HNNXBMFYSA-N 489.602 2.302 30 10 JEEE COc1ccc(Br)c(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@]2(O)CCSC2)c1 1711714909 CPJRGRRSLJJDOX-IFXJQAMLSA-N 480.388 2.313 30 10 JEEE CS(=O)(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCSC2)C1 1712694842 AVCDMOZTINXQQW-HKUYNNGSSA-N 461.613 2.495 30 10 JEEE C#CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(CCOC)C(=O)C1 1722307464 WRDWWYOFUHAXNY-UHFFFAOYSA-N 452.559 2.246 30 10 JEEE C#CCCCCn1c(-c2cnccn2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1722314355 LXUHLULZNFSDKL-HXUWFJFHSA-N 450.591 2.062 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1cccc(C(C)(C)O)c1)[C@H]1CCS(=O)(=O)C1 1722370557 ORJFVZPSHCBAPE-VQTJNVASSA-N 458.584 2.032 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCO[C@@H](C)C1 1722417510 KDWHPQGPNMLOKO-JENIJYKNSA-N 463.579 2.482 30 10 JEEE C#CCSCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1722454811 NNGUJQHYRSVXTB-RDJZCZTQSA-N 471.583 2.052 30 10 JEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 1722536502 XHZRTBHUUXKSBO-UHFFFAOYSA-N 468.606 2.233 30 10 JEEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1722607096 MLVVZJWDCHWQGT-LJQANCHMSA-N 493.655 2.319 30 10 JEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(=O)c2cccc(F)c2)CC1 1722608367 CBFYRNDWHXZWHE-KRWDZBQOSA-N 478.594 2.346 30 10 JEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1ccc(F)cc1F)C1CC1 1722685524 IXMIOBHVIFGLJB-SFHVURJKSA-N 453.515 2.244 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@@H](C(=O)OC)C1 1722695379 BAKWNXOIJGJTLD-GFCCVEGCSA-N 466.311 2.148 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCOC[C@@H]2C)C1 1722721117 CMUZNZNXGSDVPM-UGKGYDQZSA-N 452.559 2.231 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1722728793 YEULSGNBVURXQF-QZTJIDSGSA-N 464.592 2.271 30 10 JEEE CN(C)c1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N(C)C2CCN(S(C)(=O)=O)CC2)cn1 1729328233 GPBPFLJSNJCRFL-UHFFFAOYSA-N 494.625 2.186 30 10 JEEE CN(c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CSCCS1)[C@H]1CCS(=O)(=O)C1 1729368874 ATGVWUWPQLMRTL-WMZOPIPTSA-N 479.653 2.201 30 10 JEEE COCC(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2ccccn2)CC1 1730425485 ICQWUMDVACRWPE-UHFFFAOYSA-N 475.553 2.098 30 10 JEEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(C(N)=O)CCCC2)C[C@@H]1C 1730785109 DRWMFSUXJFIGOQ-SFHVURJKSA-N 451.575 2.019 30 10 JEEE N#Cc1ccc(OCc2nnc(N3CCS(=O)(=O)CC3)n2C[C@H]2CCC(F)(F)C2)cc1 1731184476 BLJFJKPDFHCQKC-INIZCTEOSA-N 451.499 2.399 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1CCCn1cc(Br)cn1)[C@H]1CCS(=O)(=O)C1 1740616038 QQVWQCLGBVUKKM-INIZCTEOSA-N 483.436 2.252 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CC[C@@H](C)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1740625523 OJKSDUSZPNJQJJ-IFMALSPDSA-N 470.643 2.155 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1CCC1CC(OC(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1 1740626638 MTUZVNGPDBFZSG-NUVZVAJJSA-N 464.632 2.393 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H](OC)C(C)C 1740647546 QGVUQWIUWBDTQV-OAQYLSRUSA-N 457.600 2.329 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccn(-c2ccc(F)cc2)n1 1740671304 DDPJZQCVWXLHCM-KRWDZBQOSA-N 456.547 2.207 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCN(C)c2ccccc2)CC1 1740703570 XOUXIGJJELQWKB-AREMUKBSSA-N 480.613 2.032 30 10 JEEE C#CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1740723328 QRKQHGZVRAYCIK-QFIPXVFZSA-N 457.556 2.263 30 10 JEEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cc(F)c(F)c(F)c1 1740810507 DINSFHFZSTXTKL-OAHLLOKOSA-N 479.912 2.417 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(C)(C)O 1740941840 UOFLVEBMJVINMP-QGZVFWFLSA-N 453.584 2.386 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)O[C@H](c2ccsc2)C1 1740952185 WWSRZOWZLIDATL-RDJZCZTQSA-N 467.555 2.256 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H]2CC(=O)N(CCOC)C2)C1 1740984559 FBBPXDOOSUMNLZ-XAPVIXHLSA-N 475.634 2.473 30 10 JEEE CC(=O)N1CCC[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N(C)C[C@@H]2CCOC2)C1 1741030139 DWXLFDGFDKDBJQ-SFTDATJTSA-N 452.559 2.460 30 10 JEEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCCC2(C)C)CC1 1741055190 FXUPZQFFZKORSJ-DEOSSOPVSA-N 452.559 2.338 30 10 JEEE CCCNC(=O)Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCO[C@@H](C#N)C1 1745791122 FAAQPLDUOMPGRU-IBGZPJMESA-N 450.499 2.372 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1748803972 BOBOLMGGLREZMU-KRWDZBQOSA-N 496.431 2.479 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(Br)c2)n1C[C@H]1CCS(=O)(=O)C1 1748949672 HNKOXCUSMDCCAX-OAHLLOKOSA-N 467.389 2.228 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccc(NC(=O)N(C)C)cc2)CC1 1748978572 NCJDTGHPYPRBDL-AREMUKBSSA-N 495.628 2.216 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2CN(C(=O)OC(C)(C)C)C2)CC1 1748999116 JDDFOOSIHWZZOT-UHFFFAOYSA-N 491.596 2.351 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCO[C@H]2CCCC[C@@H]2C)CC1 1749001132 JNZSZJLORYIVHH-FPOVZHCZSA-N 493.612 2.487 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](C)Oc2ccccc2C)CC1 1749015922 RWPXIEOMAFYYAG-FQEVSTJZSA-N 478.597 2.142 30 10 JEEE COC[C@@H](Cn1c(Cc2ccncc2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1)OC 1749337965 FNJUKSHVPBVQTR-HXUWFJFHSA-N 465.533 2.263 30 10 JEEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1749402579 PKEOGMRFUSGRPM-WMZOPIPTSA-N 463.608 2.111 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@]1(O)CCS(=O)(=O)C1 1749560376 LVKUVTDENGISRD-IIBYNOLFSA-N 450.536 2.285 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(c2ncccc2C#N)CC1 1749650076 ISSPOWFJYWATKH-UHFFFAOYSA-N 499.579 2.043 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCN(CC(=O)N(C)C2CCCCC2)CC1 1749651511 WUPUDDCEUKANLT-IBGZPJMESA-N 459.639 2.007 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(c2ncccc2F)CC1 1749655051 BQRTZGIIPGEQBU-UHFFFAOYSA-N 451.506 2.117 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)C[C@H]1CCCCO1 1749726768 DENVMDLNKBKQFQ-GOSISDBHSA-N 462.572 2.322 30 10 JEEE N#CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCOc2ccc(F)c(F)c2)CC1 1750385196 FIBUPGDISOILNB-HNNXBMFYSA-N 451.499 2.277 30 10 JEEE C[C@H]1C[C@H](C)CN(c2nnc(COc3ccc(C#N)cc3)n2CCCn2cc(CO)nn2)C1 1752002856 BSMAGYUIXOVDFT-ROUUACIJSA-N 450.547 2.385 30 10 JEEE C[C@@H]1CN(C(C)(C)Cn2c(-c3cccc(C#N)c3)nnc2N2CC(=O)N(C)C[C@H]2C)C[C@@H](C)O1 1752269198 GGGFNDXHJXRQBU-GUDVDZBRSA-N 465.602 2.371 30 10 JEEE C#CCN(c1nnc(C(C)C)n1Cc1cc2c(cc1OC)C[C@H](C)O2)[C@H]1CCS(=O)(=O)C1 1760183543 RDZOFHIKKHYZHU-LPHOPBHVSA-N 458.584 2.409 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2ccccc2OC)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1760204570 VJVOQXCDCCUVDN-FCHUYYIVSA-N 481.622 2.155 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H](C(C)C)N1CCOCC1 1760216673 WZVVNUIPZMSEFN-QFIPXVFZSA-N 473.581 2.414 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(-n2ccnc2)c(F)c1 1760218514 IEZILGBLNAOYPQ-LJQANCHMSA-N 466.542 2.016 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(NC(=O)C2CCC2)c1 1760233154 JGMCBLIWQMFKNO-IBGZPJMESA-N 455.584 2.427 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2CC2(COC)CCOCC2)CC1 1760264857 YBYYDWLRTDYICC-UHFFFAOYSA-N 457.550 2.195 30 10 JEEE C#CCSCCn1c(N2C[C@H](C)O[C@]3(CCCOC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1760286804 VWPZRIZAZTWRRN-WWPVKYPJSA-N 464.632 2.459 30 10 JEEE C=C(Cl)Cn1c(N2C[C@@H]3[C@@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]3C2)nnc1C(C)(C)C 1760388938 YEEMIFXKEATZOO-ILXRZTDVSA-N 474.027 2.455 30 10 JEEE C=CCCOCCn1c(-c2noc3c2COCC3)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1760449110 ATCBAIWEOPBIJA-UHFFFAOYSA-N 458.563 2.293 30 10 JEEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)NCc2ccc(C)c(F)c2)CC1 1760510415 WYLSSQTWLQQBES-IBGZPJMESA-N 475.590 2.347 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@@]2(C1)OCc1ccccc12 1760514308 AVFRIVOSWNYMNT-DEOSSOPVSA-N 452.559 2.135 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCS[C@H](C)[C@H]1C 1760521850 FTTOXUOUMMXCCV-ZACQAIPSSA-N 480.635 2.219 30 10 JEEE C=CCOc1ccccc1Cn1c(N2CCN(C)C(=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1760534094 RMUMZRZTRRVUNY-DEOSSOPVSA-N 455.559 2.210 30 10 JEEE CC(C)Oc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(CC#N)CC2)cn1 1761295528 AJPUHPBGUBQUNI-INIZCTEOSA-N 461.592 2.249 30 10 JEEE C[C@H](CC(N)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@](C)(O)c1ccsc1 1761370620 FSDXDBPSLMTIEJ-QRQCRPRQSA-N 454.556 2.398 30 10 JEEE CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)CN(C)C)CC1 1762053987 DDCNFBSGKYOJTA-HXUWFJFHSA-N 480.661 2.441 30 10 JEEE CC1(C)[C@@H](O)CC[C@]2(C)C3=C([C@@H](O)C[C@@H]12)[C@]1(C)C(=O)C[C@H]([C@@]2(C)CCC(=O)O2)[C@@]1(C)[C@H](O)C3=O 1775964514 OCCKLFZPYIWUFJ-NRDUDWBFSA-N 474.594 2.492 30 10 JEEE C=CCNC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@H]1CC(=O)N(c2ccc(C(=O)OCC)cc2)C1 1861612061 ZYGCLWLWIRWGMT-SIKLNZKXSA-N 481.524 2.385 30 10 JEEE C=CCN(CC=C)C(=O)[C@H](CCSC)NC(=O)[C@H]1CC(=O)N(c2ccccc2C(=O)OC)C1 1862182781 ZLHSVAKDLJJBAO-HKUYNNGSSA-N 473.595 2.265 30 10 JEEE CN1C(=O)c2ccc(NC(=O)[C@H](Cc3ccccc3)N=C3NS(=O)(=O)c4ccccc43)cc2C1=O 1869934895 VKXTZMBBPZORLM-FQEVSTJZSA-N 488.525 2.201 30 10 JEEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)C[C@H]3COc4ccccc4O3)CC2)CC1 1889484769 OCICSEPBUXAKHK-QHCPKHFHSA-N 455.599 2.254 30 10 JEEE N#CC1CCN(CCNC(=O)[C@H]2CCCN2S(=O)(=O)c2c(Cl)cccc2Cl)CC1 1890509286 ZCBPKAJLRNZUJG-QGZVFWFLSA-N 459.399 2.498 30 10 JEEE C#CCOC1CN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)C1 1892082753 ROMXHFBKHNCJBV-INIZCTEOSA-N 450.866 2.373 30 10 JEEE CC1(C)OB(CC2CN(S(=O)(=O)CCCCN3C(=O)c4ccccc4C3=O)C2)OC1(C)C 1924400380 LFYWDQUEVHZLLT-UHFFFAOYSA-N 462.377 2.417 30 10 JEEE C#CCN(CC(=O)NC[C@]1(O)C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C)C(=O)OC(C)(C)C 2068512908 ZBTQJWXUSOQIHO-GPVSGQMNSA-N 451.564 2.266 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H]1NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2247954117 YIADIKVBUJRPEL-QWHCGFSZSA-N 458.411 2.239 30 10 JEEE Cc1cc(S(=O)(=O)N2CC[C@@](C)(NC(=O)C(F)(F)F)C2)sc1B1OC(C)(C)C(C)(C)O1 2267365455 PJTUPNSQNURFMT-QGZVFWFLSA-N 482.355 2.187 30 10 JEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CCOC[C@@H](NC(=O)OC(C)(C)C)C1 2267506558 ZMLUKQFWVJPKAY-HNNXBMFYSA-N 450.341 2.253 30 10 JEEE CN([C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2267719525 DLQIERHWKDIAOY-FQEVSTJZSA-N 457.405 2.276 30 10 JEEE CN(Cc1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(=O)[C@@H]1C[C@H](O)CN1C(=O)OC(C)(C)C 2268638675 UXDLOMLVOLUELY-RDJZCZTQSA-N 466.409 2.376 30 10 JEEE CC1=C(B2OC(C)(C)C(C)(C)O2)CCN(C(=O)[C@H](CCC(N)=O)NC(=O)OC(C)(C)C)C1 2268711355 MFOUUAAIYAGZTL-INIZCTEOSA-N 451.373 2.325 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 2282043907 QMAOVGXHURIYLK-SVFBPWRDSA-N 450.392 2.360 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCCO[C@@H]2[C@@H]1NC(=O)c1coc(B2OC(C)(C)C(C)(C)O2)c1 2282536977 JRJZJVWTVPOUNL-HPBDAGMYSA-N 462.352 2.379 30 10 JEEE Cc1c(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2F)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282542355 IGUDACRYBMLMSA-CABCVRRESA-N 466.363 2.105 30 10 JEEE Cn1nc(C(=O)N2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2282554059 XXOIHQSPKKUHJY-KBPBESRZSA-N 480.802 2.454 30 10 JEEE Cn1nc(C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)CC23CC3)cc1B1OC(C)(C)C(C)(C)O1 2282620086 ZYVKBIPZVINFBD-HNNXBMFYSA-N 460.384 2.381 30 10 JEEE CON(C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)C1CCN(C(=O)OC(C)(C)C)CC1 2282671428 ULPJGZVLUPUIGM-UHFFFAOYSA-N 462.356 2.179 30 10 JEEE CCCC1(NS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CN(C(=O)OC(C)(C)C)C1 2282829645 HZHSIDVTQFOYNN-UHFFFAOYSA-N 481.424 2.449 30 10 JEEE C[C@H]1C[C@@H](CNC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2283054893 ALBQZEMCSZEOCJ-HOTGVXAUSA-N 460.384 2.399 30 10 JEEE C[C@H](c1nscc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)[C@@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C 2283954156 BKMCPWRDYOFEIN-FMKPAKJESA-N 481.424 2.332 30 10 JEEE CN(Cc1ccccc1B1OC(C)(C)C(C)(C)O1)C(=O)[C@@H]1C[C@H](O)CN1C(=O)OC(C)(C)C 2283974163 TXFZWSVMUHQXKY-HKUYNNGSSA-N 460.380 2.315 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(CNC(=O)[C@H](CCC(N)=O)NC(=O)OC(C)(C)C)s1 2284122918 ULNKKFKUZJMIGJ-HNNXBMFYSA-N 481.424 2.131 30 10 JEEE CCn1c(N2CCN(C)CC2)c(C=C2SC(=S)N(C[C@@H]3CCCO3)C2=O)c(C)c(C#N)c1=O 2314426160 NJYVLLCGJYGSGF-INIZCTEOSA-N 487.651 2.180 30 10 JEEE COc1cc(C=NNc2cnn([C@H]3CCS(=O)(=O)C3)c(=O)c2Cl)ccc1OC(C)C 2322614679 QKPUNHDHCNFWLI-AWEZNQCLSA-N 454.936 2.498 30 10 JEEE COc1ccc2c(c1)C(=CC(=O)Nc1c(C#N)nnn1-c1ccc3c(c1)C(=O)N(C)C3=O)CC2 2332197150 OZQTYEJCTCXSEA-UHFFFAOYSA-N 454.446 2.342 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@H]2NS(=O)(=O)Cc1ccccc1B1OC(C)(C)C(C)(C)O1 2359276612 XQKZXOQOFPKFMY-WDSOQIARSA-N 478.420 2.413 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)N1CCc2scc(B3OC(C)(C)C(C)(C)O3)c2C1 2361633247 SDDQZMHCIBOAKF-YOEHRIQHSA-N 478.420 2.302 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC(CCCNC(=O)OC(C)(C)C)C2)n1C 2362567790 OSRJWZUWJUOQMZ-UHFFFAOYSA-N 462.400 2.405 30 10 JEEE COc1nc(N2CCN(C(=O)OC(C)(C)C)[C@H](CCO)C2)ccc1B1OC(C)(C)C(C)(C)O1 2365345990 MHHAYCMBXGKFRY-MRXNPFEDSA-N 463.384 2.198 30 10 JEEE N#C[C@H]1C(=O)Nc2nc(NCc3ccc4c(c3)OCCO4)[nH]c(=O)c2[C@H]1c1cccc([N+](=O)[O-])c1 72472462 QKERCJLBFANDMT-QAPCUYQASA-N 474.433 2.285 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](CNc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 204868545 PDZAAQJBAOGCEV-DLBZAZTESA-N 489.426 2.340 30 10 JEEE C[C@H](C[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)C(C)(C)O 256501466 IJRBORPEVKCEQD-BDTCGGFISA-N 494.669 2.100 30 10 JEEE biogenic COCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1CCSc1ccccc1 501761388 FTCSAFNXPAKUIV-UHFFFAOYSA-N 479.627 2.358 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)C[S@@](=O)CC(=O)c3ccc(OC)cc3OC)cc21 586363121 XVMPQKGKBJQZSM-JGCGQSQUSA-N 457.504 2.430 30 10 JEEE CC1CCC(C#N)(N(C)C(=O)[C@@H](C)OC(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)CC1 912770621 DBNBMNLFDXYOEY-DIGGJFNOSA-N 466.538 2.242 30 10 JEEE Cc1nn(CCO)c(C)c1C=NNc1nc(SCc2nc3ccc([N+](=O)[O-])cc3[nH]2)n[nH]1 1084172062 PGOPGBIVXQQOIE-UHFFFAOYSA-N 456.492 2.133 30 10 JEEE NS(=O)(=O)c1ccc(NC(=O)CSc2n[nH]c(NN=Cc3c(O)ccc4ccccc34)n2)cc1 1084466032 HLWBVTMGTNAHPC-UHFFFAOYSA-N 497.562 2.488 30 10 JEEE N#Cc1cccc(-n2ccc(C(=O)N3CCN(S(=O)(=O)c4ccc(F)cc4F)CC3)n2)c1 1124496405 FXLUXCIFLUSRRR-UHFFFAOYSA-N 457.462 2.169 30 10 JEEE Cn1cc([C@@H]2CN(C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC23CCOCC3)cn1 1233850792 DIFIXCMBRPBKRX-YTQUADARSA-N 458.563 2.085 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CC[S@](=O)C(C)(C)C)c1 1286308537 AVTBEJFQNQFQQZ-XIFFEERXSA-N 467.599 2.282 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCS2)c1 1286312414 XTHCFCQZTMBMKX-IEBWSBKVSA-N 473.624 2.132 30 10 JEEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@H](Cn2cccn2)C1 1286316134 RYUXZRWOBOFVGW-NRFANRHFSA-N 497.625 2.101 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1C[C@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1286385205 LERZVTHYCWBDEY-PNLZDCPESA-N 464.563 2.345 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1ccnc(C(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 1286387872 VQLWKTWPYYQOMV-HNNXBMFYSA-N 464.473 2.362 30 10 JEEE C#CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CC(=O)N(C)[C@@H](C)C1 1286496912 KKRMBNDKJGTXRE-ZDUSSCGKSA-N 451.394 2.079 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1286545991 DWIGUOHDCSZKOS-AQNXPRMDSA-N 458.607 2.236 30 10 JEEE C=C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC[C@@H]2COCCO2)CC1 1286640960 QFVMOIQUFBLPMM-LJQANCHMSA-N 461.588 2.157 30 10 JEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C(=O)NCC)cc2)CC1 1286651314 APSWILNWJDSXEE-INIZCTEOSA-N 460.604 2.089 30 10 JEEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H](C)CS(=O)(=O)CC 1286776115 DWCIQBJVCVRQAE-HZPDHXFCSA-N 457.597 2.032 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1286783985 SFUNXQKTLLHFQY-CYBMUJFWSA-N 457.888 2.369 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC(NC(=O)c2ccc(F)cc2)CC1 1286785060 DMRTYSBKLIVIGE-UHFFFAOYSA-N 463.517 2.180 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccccc2S(=O)(=O)N(C)C)C1 1286811114 ZTFBHNHABCFGLK-VQTJNVASSA-N 475.615 2.252 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCC[C@@H](CNC(=O)c2ccccc2)C1 1286819529 NFFTZHWKNQUAAZ-SFHVURJKSA-N 457.600 2.403 30 10 JEEE CN(C)C(=O)C1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@](C)(C(N)=O)C2)CCCC1 1297947532 CBUYYZPDSWYNKZ-DEOSSOPVSA-N 479.585 2.079 30 10 JEEE C#CCCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1300344377 AUNOSXAEKSFNMU-UHFFFAOYSA-N 488.596 2.312 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCc1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 1300490710 CADVKDQZIKZZCW-GOSISDBHSA-N 458.975 2.201 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(C)cc1C)[C@H]1CCS(=O)(=O)C1 1300502747 WMPTYAAZXHQJQN-QFIPXVFZSA-N 466.611 2.432 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(C)o2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1300656409 GWUKVMHDFPQFJM-OALUTQOASA-N 461.588 2.137 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H](C)CNC(=O)OC(C)(C)C)CC1 1300685915 UZIWZBHZDMXPFS-CJFMBICVSA-N 490.649 2.235 30 10 JEEE C=CCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCN(C(=O)NC)CC1 1301229278 MFRBQGBYWOHXQG-UHFFFAOYSA-N 466.634 2.070 30 10 JEEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1301429345 YLXVJFQBDFDMKZ-UHFFFAOYSA-N 479.976 2.288 30 10 JEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2ccc(Cl)cc2)C1 1301458074 NDGGFVRCBLLNND-ROUUACIJSA-N 467.979 2.028 30 10 JEEE C=CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(CC(F)F)CC1 1301602729 WEQRTBBGJHZSNY-UHFFFAOYSA-N 461.546 2.227 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCCN1CCOCC1 1358886058 XADFBNNUSZKEPW-IBGZPJMESA-N 463.586 2.245 30 10 JEEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(OCCN2CCCC2)CC1 1358918738 FNYKWVIKKLJQCE-UHFFFAOYSA-N 451.575 2.420 30 10 JEEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1358936733 WKVFICZFALYUAP-ZWKOTPCHSA-N 485.589 2.236 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1CC1([S@@](C)=O)CCC1)[C@@H]1CCS(=O)(=O)C1 1358964808 HSXUEPNRIXADBQ-PLTNMMHCSA-N 474.652 2.105 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H](C)c2c(C)noc2C)CC1 1359029814 ICTRLZKWWHPIBM-UUOWRZLLSA-N 456.591 2.482 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(Cl)cc1 1359070584 PRLTZXYKMBOBEA-WIYYLYMNSA-N 463.991 2.305 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ncccc2C#N)CC1 1359188415 NARAULILUSVJSU-LJQANCHMSA-N 469.615 2.376 30 10 JEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCN(Cc2ccccc2)CC1 1359240592 SGGUFCLWXOTZPN-JOCHJYFZSA-N 488.658 2.145 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@@]2(OCC)CCOC2)n1C[C@]1(O)CCN(C)C1 1359259880 LHUYSTTVDXKNLR-BJKOFHAPSA-N 459.566 2.329 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCOC[C@H]1C 1359271882 GCAZDINQDJVOJA-WOJBJXKFSA-N 476.622 2.486 30 10 JEEE C=CCN(CCOC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H]1CCS(=O)(=O)C1 1359278279 OUGMEXKRBSSSKC-SFHVURJKSA-N 461.588 2.221 30 10 JEEE C=CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H]1CCOC[C@@H]1OC 1359281263 UEMZLVQKQXZFDM-APWZRJJASA-N 454.531 2.284 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](C)Oc2cccc(OC)c2)C1 1359322466 WDCQKLWYRARGNI-BBTUJRGHSA-N 476.599 2.438 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(C(N)=O)CC1 1359328097 SZNUMISRTKIWCU-HNNXBMFYSA-N 482.006 2.374 30 10 JEEE COc1cccc(CN(C[C@H]2CCCO2)C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)c1 1442297533 HHUCLGZRPOCSJC-LAUBAEHRSA-N 457.552 2.441 30 10 JEEE C=CC1(CC(=O)N(CCN(CC)CC)[C@@H]2CCS(=O)(=O)C2)CN(C(=O)OC(C)(C)C)C1 1446314327 UTSUOIISYCUFCN-GOSISDBHSA-N 457.637 2.157 30 10 JEEE C#CCN(c1nnc(-c2ccccc2)n1CCOc1ncccc1F)[C@@H]1CCS(=O)(=O)C1 1507629165 JYKVTZPFRLAMEI-GOSISDBHSA-N 455.515 2.185 30 10 JEEE C#CCN(c1nnc(C2CC2)n1C[C@@H](CC)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1507630795 HRZSHKJPHIOCBB-SJORKVTESA-N 451.593 2.086 30 10 JEEE C#CCN(c1nnc([C@H]2COc3ccccc3O2)n1CCOC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1507633187 DFUGHTUYTSUIRU-YLJYHZDGSA-N 474.583 2.232 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC(F)F)c(F)c1 1507654125 WEKRWANYJFUZOS-OAHLLOKOSA-N 452.458 2.042 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@H]1CCS(=O)(=O)C1 1507702488 LLZMFYVQHYRNTP-IAGOWNOFSA-N 450.536 2.078 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2C[C@]2(O)CCO[C@@H]2C)CC1 1507720903 JTPYDVYJSJCEBN-OPAMFIHVSA-N 490.402 2.011 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(OCCN2CCCC2)CC1 1507792552 ZYEWRZUFZCDHFT-UNMCSNQZSA-N 474.650 2.479 30 10 JEEE C=C(C)COCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1507838566 FBGWXEWNEVXVSJ-QFIPXVFZSA-N 485.585 2.383 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(Cl)cc1 1508021464 SUVWOBWJLXHCDA-SFHVURJKSA-N 451.980 2.491 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC(CC(=O)NC)CC1 1508075347 XNQPTJVHHKNLOZ-UHFFFAOYSA-N 462.501 2.201 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1508136419 GHDXXNZZXJPJRK-FDDCHVKYSA-N 476.599 2.329 30 10 JEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2ccccc2)CC1 1508160871 IZBXPCLKAZCZBT-IBGZPJMESA-N 475.640 2.062 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1nc(C(C)(C)C)cs1 1508410771 GABQRTMHMJSXGL-UONOGXRCSA-N 453.638 2.481 30 10 JEEE CO[C@@H]1COCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(C)C)C(=O)C1 1518637381 DOIASLYKFHAFBB-LEWJYISDSA-N 452.559 2.173 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cccc(N2CCOCC2)n1 1538977987 ZEQJZOPGBVOJPO-YADARESESA-N 454.575 2.057 30 10 JEEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1539142903 YMDZVYZGEGUAPN-MSOLQXFVSA-N 497.604 2.295 30 10 JEEE C#CCN(c1nnc(Cn2ccc3ccccc32)n1CCCOCC)[C@@H]1CCS(=O)(=O)C1 1539230488 MYGOZPKZGBXVNJ-HXUWFJFHSA-N 455.584 2.334 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H](OC)c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1539231067 OBPZUIVDSCFYIE-AQNXPRMDSA-N 462.547 2.283 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2Cc2sccc2C)CC1 1539434305 HSZAVTZGYKNCQD-UHFFFAOYSA-N 484.651 2.369 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@]2(O)CCO[C@H]2C)CC1 1539437542 DRGQFOKGEJQHFN-HTAPYJJXSA-N 474.403 2.311 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2c(F)cccc2F)CC1 1539467147 NRAIFMIHVQLNQV-UHFFFAOYSA-N 470.524 2.001 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCc2ccccc2OC(F)F)CC1 1539476896 HKHZQVOZQHGOCK-UHFFFAOYSA-N 483.523 2.489 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2Cc2ccc(C)n(C)c2=O)CC1 1539490479 WFIYGOULKKKVQF-UHFFFAOYSA-N 492.555 2.017 30 10 JEEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1539706702 PWHFSCOBECIVKA-GOSISDBHSA-N 498.650 2.023 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCOc2ccc(C)cc2)CC1 1539848784 RFDWWUIVCUBVSM-FQEVSTJZSA-N 461.588 2.155 30 10 JEEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1539966163 FXORZUGTXHRMRH-ROUUACIJSA-N 483.635 2.266 30 10 JEEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 1540859946 XODKQSUDJNTGAR-UHFFFAOYSA-N 454.531 2.444 30 10 JEEE CC(=O)N1CCC(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@H](C)[C@H](C)S(C)(=O)=O)CC1 1540948091 DCKNRYWMBXDTIT-SJORKVTESA-N 472.615 2.333 30 10 JEEE CC(C)NC(=O)c1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1C[C@]1(O)CCSC1 1541649266 BKADXNODKSJEBN-HSZRJFAPSA-N 452.584 2.450 30 10 JEEE N#Cc1cccc(-c2nnc(N3CCC(OCC(N)=O)CC3)n2CCN2CCCCCC2)c1 1555987013 GEXYUTHAUSZIGT-UHFFFAOYSA-N 451.575 2.163 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](C)CS(=O)(=O)c2ccc(C)cc2)s1 1567794143 UFKLQUVRRVFNBX-OAHLLOKOSA-N 456.611 2.042 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCCN(C)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1588055602 YGPDBKBYYYLDSQ-MOPGFXCFSA-N 495.646 2.403 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1Cc1ccnc(OC2CCOCC2)c1)[C@H]1CCS(=O)(=O)C1 1588058908 FJZLCUBVACHRJI-FQEVSTJZSA-N 487.626 2.104 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H](N1CCOCC1)C(F)(F)F 1588612935 NBFLXTKCSBMRKZ-IBGZPJMESA-N 481.475 2.023 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(Br)c3)n2CCCC(=O)N(C)C)CC1 1588763358 WCGADFNTWYKNDW-UHFFFAOYSA-N 459.392 2.331 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2Cc2cnn(CC)c2)CC1 1588763600 ZDWGZGHHHIOOJD-UHFFFAOYSA-N 457.380 2.066 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCc2ccc(OC)c(F)c2)CC1 1588923522 CCWBQZAUOMSCEQ-UHFFFAOYSA-N 465.533 2.035 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](CC(C)C)NC(=O)OCC 1589215820 DYAKKSWFICVIIR-NJNPRVFISA-N 465.620 2.333 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCN(C)C1CCCCC1 1589215881 HCMZHUKZHLWDSK-XUZZJYLKSA-N 492.690 2.258 30 10 JEEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1593712303 YGYFXERCRJKCTD-WZONZLPQSA-N 476.599 2.326 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1595765612 DXRZILHQGLCVOI-OAHLLOKOSA-N 475.449 2.222 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1595773388 ZSFKDBRNXBLLRZ-KRWDZBQOSA-N 479.006 2.186 30 10 JEEE Cc1ccc(C)c(OCc2nnc(N3CCC(CC#N)CC3)n2CCS(=O)(=O)N(C)C)c1 1611998889 CQFPHQPIYLMKDN-UHFFFAOYSA-N 460.604 2.495 30 10 JEEE Cc1nn(C)c(C)c1CN(C)c1nnc(COc2ccc(C#N)cc2)n1CCN1CCOC[C@H]1C 1612460496 DZOKOVDGJFKMBV-GOSISDBHSA-N 478.601 2.436 30 10 JEEE COC[C@@H](C)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCO[C@H](C#N)C1 1619581878 GAJBHSPSCMGGHO-DLBZAZTESA-N 451.531 2.247 30 10 JEEE C=CC1(CC(=O)Nc2ncn(CC(=O)NCc3ccccc3)n2)CN(C(=O)OC(C)(C)C)C1 1627449872 IESWANQPFJWRFD-UHFFFAOYSA-N 454.531 2.346 30 10 JEEE C#CCN([C@H]1CCOc2ccc(Br)cc21)S(=O)(=O)[C@H]1CC(=O)N(C2CC2)C1 1661573621 CCKVKJBWUJWKON-RDJZCZTQSA-N 453.358 2.301 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NS(=O)(=O)c2cc(Br)ccc2C#N)C1 1668498173 AMSIWPWBAGIAJI-OCCSQVGLSA-N 455.334 2.358 30 10 JEEE CC(C)(C)OC(=O)[C@@H]1CC(=O)N(C2CCN(C(=O)NCc3cccc(OCC#N)c3)CC2)C1 1677445271 GLUBHVCAIAEYTI-GOSISDBHSA-N 456.543 2.453 30 10 JEEE CC[C@@H](C#N)Oc1cc(CNC(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)ccc1OC 1679046688 GQEXWLJYPNIRTM-SFHVURJKSA-N 451.531 2.322 30 10 JEEE C#CCOCCNC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 1680949274 UFRMATZYGNGRMP-UHFFFAOYSA-N 453.870 2.025 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(F)cc2Br)n1CCNC(=O)c1cc[nH]n1 1689839992 QMYJCVTZXLYAHF-LBPRGKRZSA-N 460.311 2.458 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1c(Cl)c(C(F)(F)F)nn1C 1689851422 QSRRMPTXCFIUIB-MNOVXSKESA-N 464.901 2.092 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2cccs2)c1 1689868691 OQAVCHQJGXHJHY-INIZCTEOSA-N 486.623 2.249 30 10 JEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F 1689892690 LNBOARCCCOBSDE-AWEZNQCLSA-N 458.510 2.372 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCOc1ncccc1F)[C@@H]1CCS(=O)(=O)C1 1689984342 NPUSJXOXSJIYHK-LJQANCHMSA-N 480.525 2.057 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@@H](C)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1689984692 SQWMQCGMMBFQOR-NVXWUHKLSA-N 477.587 2.386 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1CCOCC(F)F)[C@H]1CCS(=O)(=O)C1 1689992884 QPCVJDCYRPNVPF-SFHVURJKSA-N 452.527 2.086 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H](c1ccco1)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1689998335 JPMSGUQUDCGFIQ-QKNQBKEWSA-N 475.615 2.432 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCN(CCC)C1 1690019884 TXJGWEPVGGVVJQ-LEWJYISDSA-N 470.618 2.391 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnccn3)n2C[C@@H]2CCCSC2)n1 1690109213 KOOPGQDUPLUGGG-SFHVURJKSA-N 452.588 2.361 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCC2CC(OC(C)(C)C)C2)CC1 1690144191 OYGREUNFROJPEH-UUKMXZOPSA-N 470.618 2.179 30 10 JEEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1690288106 IMHSFGXSYABFIO-IRXDYDNUSA-N 453.609 2.450 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccc(OCC(=O)N(C)C)c2)CC1 1690410972 BYSAWDWGXJQQMM-FQEVSTJZSA-N 487.626 2.098 30 10 JEEE C=CCCCn1c(N2CCN(S(C)(=O)=O)[C@@H](C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1690496138 KYBVRQKGZQHNMK-OKZBNKHCSA-N 482.651 2.485 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(c2ccc(O)cc2)CC1 1690678519 YSJXOYJAMCZUTH-UGKGYDQZSA-N 455.559 2.394 30 10 JEEE C[C@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CN(Cc2ccccc2)CCO1 1690992903 BKNNMSFSIMNOCT-TZIWHRDSSA-N 451.575 2.011 30 10 JEEE CCCOc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2CCCS(=O)(=O)C2)cc1OC 1695498491 BYGOOPYMQUGNIP-HKUYNNGSSA-N 489.598 2.296 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@]1(C)CN(C2CC2)C1=O 1705476029 YATDVMHJQIEPRR-IQMFZBJNSA-N 454.962 2.330 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@]1(O)CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1705568736 UOIMBHRJMSZWGX-WCAVRKLYSA-N 476.574 2.174 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(-c2ccsc2)nc1 1705628811 PXGZHHHUYARZSX-LJQANCHMSA-N 471.608 2.438 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H]2CCCn3cc(C)nc32)CC1 1705643835 BMICGVNQGMHVFB-FQEVSTJZSA-N 494.644 2.245 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2CC2CCN(C(=O)OC)CC2)CC1 1705649862 HXBZJHMRFBZLCJ-UHFFFAOYSA-N 496.587 2.452 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2Cc2nnc(CC)s2)CC1 1705650212 NVPPOHQNGJTIAU-UHFFFAOYSA-N 467.574 2.436 30 10 JEEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(CN2CCOCC2)CC1 1705692567 NCJOHLWQIZFXME-OALUTQOASA-N 484.439 2.459 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2ncccn2)CC1 1705695059 VBCJODPBAJVYCU-ICSRJNTNSA-N 468.606 2.294 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(CCOC)CC1 1705708925 ITLONGZZIMOHBH-NQIIRXRSSA-N 474.631 2.019 30 10 JEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@@H](C)c2nccs2)CC1 1705830985 ZNHLHSBMTQZIQT-ROUUACIJSA-N 480.660 2.113 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1705905417 VBAQLKRHPHVHBD-UHFFFAOYSA-N 468.602 2.263 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCSCC2)cc1 1722292602 AFDZUQQGXGCMKS-HKUYNNGSSA-N 459.641 2.240 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCCOc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1722368416 RDPCUJCYQUMGAN-AZUAARDMSA-N 476.574 2.407 30 10 JEEE C=C(Br)Cn1c(N(CC)[C@H]2CCS(=O)(=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1722489921 VCGMFEBJLUYUOK-YJBOKZPZSA-N 477.425 2.241 30 10 JEEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(CC)C[C@H]1COc2ccccc2O1 1722542564 CZINHZSSHLQKJM-GJZGRUSLSA-N 455.968 2.307 30 10 JEEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCNC(=O)[C@@H]1CC 1722551725 FJMADFNIWACIRU-GJZGRUSLSA-N 454.959 2.054 30 10 JEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)CNC(=O)OC(C)(C)C)CC1 1722574930 TYLMRIFITWRDIX-HOTGVXAUSA-N 470.640 2.452 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(S(C)(=O)=O)cc2)CC1 1722583921 WXKJKZZPJJROGI-GOSISDBHSA-N 464.613 2.034 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@@H](CC(N)=O)C1 1722689703 XLUCEDLWROIASJ-CVEARBPZSA-N 460.966 2.466 30 10 JEEE C=CCNC(=O)Cn1c(N2C[C@H](C)O[C@@H](c3ccccc3)C2)nnc1[C@]1(OCC)CCOC1 1722703727 FWHNRJONHJJGTH-NRYAXDJKSA-N 455.559 2.199 30 10 JEEE C#CCN(CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@H]1CCCS(=O)(=O)C1 1740663032 VWKIFWMGSCFGMD-MRXNPFEDSA-N 462.572 2.255 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1CN1CCCCC1 1740686145 OXESQFAARRMPRE-QHCPKHFHSA-N 485.654 2.300 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H]2CCCSC2)CC1 1740703456 TXTOWKREPWMZKV-FDDCHVKYSA-N 461.632 2.039 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CC[C@H]2CCO[C@H](C)C2)CC1 1740706887 HIJMOXRIMFVTOG-CTNGQTDRSA-N 450.587 2.435 30 10 JEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 1740709259 DJRYBNOAKMFGGJ-KRWDZBQOSA-N 462.620 2.326 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCNC(=O)c1cccc(O)c1 1740773810 DSIWKTBEDJIBRX-GOSISDBHSA-N 461.588 2.108 30 10 JEEE C=C(C)COCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(C)C(=O)[C@H]1C 1740787306 AKJSQYZLNKZKTL-MRXNPFEDSA-N 459.547 2.231 30 10 JEEE C=CC1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCOCCS(C)(=O)=O)CC1 1740838293 LMZYRYIILRGMHY-UHFFFAOYSA-N 472.571 2.058 30 10 JEEE C=CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1740858999 DNPBYMSCGFXCAD-QHCPKHFHSA-N 472.615 2.411 30 10 JEEE C=CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](CNC(C)=O)C1 1740862982 KTSZQLASZNMNIL-VQTJNVASSA-N 492.621 2.284 30 10 JEEE C=CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1740875043 PMXNANIVBBRSJO-INIZCTEOSA-N 471.587 2.326 30 10 JEEE C=CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H](C)CS(C)(=O)=O 1740877382 XXXFJWQJEVHUTF-IAGOWNOFSA-N 471.624 2.422 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1740988406 DDTJVIAFAZYKPV-PBHICJAKSA-N 495.989 2.143 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN(C(=O)OCc2ccccc2)CC1 1740989143 BBCQHEKCYLYVNA-UHFFFAOYSA-N 498.609 2.343 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(Cc2ccccc2OC)CC1 1740991353 UTIWSLWIJZSIJQ-JOCHJYFZSA-N 489.642 2.451 30 10 JEEE C[C@H](CN1CCCCC1)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(OCC(N)=O)CC1 1741871657 FCFQOVCNTFYJEG-LJQANCHMSA-N 465.602 2.409 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@@](C)(O)c1ccc(F)cc1 1741918775 DANULIUUYHBLQX-QVKFZJNVSA-N 464.567 2.065 30 10 JEEE CCc1noc([C@@H](C)N2CCN(c3nnc(-c4ccc(C#N)cc4)n3CCC(=O)N(C)C)CC2)n1 1744733972 AWWOAFCISCARGH-QGZVFWFLSA-N 477.573 2.124 30 10 JEEE C#CCCCn1c(COc2ccc(OC)cc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1748761378 WAQDIKBCMHIAHD-UHFFFAOYSA-N 461.588 2.139 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCCc1nccs1)[C@H]1CCS(=O)(=O)C1 1748819380 NYGUJZJBCGFNIJ-KRWDZBQOSA-N 476.653 2.350 30 10 JEEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](c2ccccc2)C[C@@H]1C 1749037374 CCAPEDMALKQZOK-TYPHKJRUSA-N 489.667 2.360 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(OCC(N)=O)CC1 1749120771 HHZJTFWJOOOAML-KUHUBIRLSA-N 493.406 2.488 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1CC(F)(F)C1 1749129660 GEYBFFPJOABYDM-KSZLIROESA-N 489.589 2.074 30 10 JEEE C=C(C)COCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H]1CCOC1 1749230599 ZWAZJDYPXWRFGI-MSOLQXFVSA-N 451.568 2.404 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1749368226 FPGJBQBRBWXSNV-QGZVFWFLSA-N 466.652 2.413 30 10 JEEE C=CCN(CC=C)c1nnc(CN2CCCC2=O)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1749578630 DCIBICYMDJVAOW-LJQANCHMSA-N 451.575 2.247 30 10 JEEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)CCc1cccs1 1749666806 REQZGBNSHKPQKP-UHFFFAOYSA-N 473.628 2.281 30 10 JEEE Cc1nn(C)c(N2CCN(c3nnc(-c4cccc(C#N)c4)n3CCC(C)(C)O)CC2)c1C#N 1751827393 DJYUOBWZAAJRDJ-UHFFFAOYSA-N 459.558 2.218 30 10 JEEE CC[C@H](C)[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NC(=O)COC)CC1 1752548462 GALFBJCPNQSTEE-BXKMTCNYSA-N 454.575 2.345 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(Cl)c2c(c1)OCCO2 1760117842 URXRASXWRIOTJA-ZFWWWQNUSA-N 450.948 2.111 30 10 JEEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(c2cnn(C)c2)CC1 1760154260 CFTMPCYHSNCXMG-FQEVSTJZSA-N 484.605 2.060 30 10 JEEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(O)CCCCCC1)[C@@H]1CCS(=O)(=O)C1 1760180803 LGGAUZXCAZSHSO-HYBUGGRVSA-N 494.658 2.031 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CCCCS1(=O)=O 1760253103 MVFRNCFEJXQKBV-OTWHNJEPSA-N 495.646 2.102 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCCN2CCC(C)CC2)CC1 1760270602 ZVJJQHZPZSCULN-QFIPXVFZSA-N 456.635 2.260 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)COC)CC1 1760325549 QRUDHQFUWXNNFK-AUSIDOKSSA-N 457.550 2.284 30 10 JEEE C=CCC(C)(C)Cn1c(CSc2ccccc2OC)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1760415978 QIWIBNDAYCEEQV-QGZVFWFLSA-N 484.626 2.328 30 10 JEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(Cl)=C(Cl)C1 1760441012 WFSIEHYXQKEAEZ-HNNXBMFYSA-N 450.392 2.477 30 10 JEEE C=CCCOCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(C(=O)NC)CC1 1760449863 XDODLAXXLBKRHN-UHFFFAOYSA-N 451.531 2.149 30 10 JEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1760510209 LAHWSCLRNDEFJU-SFHVURJKSA-N 498.650 2.071 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](c2nc(C)cs2)C1 1760514765 MWFVDCWGXHBHSY-MRXNPFEDSA-N 466.571 2.377 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC(O)(c2c(F)cccc2F)CC1 1760525644 MFHZYZQQWGLVCU-UHFFFAOYSA-N 468.508 2.332 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCCN(C2CCCC2)CC1 1760555475 GMZMCYKLUCQQCN-IBGZPJMESA-N 451.637 2.228 30 10 JEEE C[C@]1(C#N)CCCN(c2nnc(C(=O)Nc3ccccn3)n2CC(=O)NCCc2ccccc2)C1 1761542065 GLYLJQJEQVIUOJ-RUZDIDTESA-N 472.553 2.414 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cccc(NC(=O)[C@H]2CCCO2)c1 1764187261 HOLLBVPAXGJOHY-LEWJYISDSA-N 495.584 2.091 30 10 JEEE CN(C)CCN1CCC(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H](CC(N)=O)C2)CC1 1768513986 FIHRIACNVKTWRT-JOCHJYFZSA-N 478.645 2.182 30 10 JEEE CN(CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cccc(F)c2C#N)CC1)CC(F)(F)F 1768917180 BKSCBFJSSNLGJU-QGZVFWFLSA-N 494.497 2.061 30 10 JEEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@H]1c1ccc(O)c(O)c1 1862458296 KSXBVJUDFDLSEX-GOSISDBHSA-N 450.369 2.230 30 10 JEEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1ccccc1[N+](=O)[O-] 1862630536 WGAFSBCFWHPLFP-IBGZPJMESA-N 453.407 2.038 30 10 JEEE CN1C(=O)c2ccc(-n3nnc(C#N)c3NC(=O)c3ccc4c(c3)C(=O)N(C(C)(C)C)C4=O)cc2C1=O 1870141784 KFXAKHPWUJATFT-UHFFFAOYSA-N 497.471 2.012 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)N2CCOCC2)cn1Cc1ccc(O)cc1 1870583391 VDELVLHRPRWKLR-UHFFFAOYSA-N 453.539 2.014 30 10 JEEE C#CCOc1cn(CCCN(C)C)c(CNc2ccc(C(=O)NCCN(CC)CC)cc2)cc1=O 1871006039 MLLLMIXVXHNCIW-UHFFFAOYSA-N 481.641 2.496 30 10 JEEE C=CCn1c(C(=O)Nc2cc(NC(C)=O)ccc2C)cc2c(N3CCN(CCO)CC3)ncnc21 1873660754 BUSLNAJKRRSIEY-UHFFFAOYSA-N 477.569 2.251 30 10 JEEE C=CCn1c(C(=O)N(CC)CCO)cc2c(NC[C@@H](c3ccc(O)cc3)N(C)C)ncnc21 1875231577 UAEXSXOXGHOFMY-NRFANRHFSA-N 452.559 2.492 30 10 JEEE CCN1CCN(CC#CCOC2CCN(C(=O)NCc3ccc(OC)c(OC)c3)CC2)CC1 1890476737 AFERFSBYXXHTQX-UHFFFAOYSA-N 458.603 2.035 30 10 JEEE CC1CCN(S(=O)(=O)c2ccc(C(=O)N3CCC[C@H](Oc4nccnc4C#N)C3)cc2)CC1 1891982395 OLPRSGCTTFLAIU-IBGZPJMESA-N 469.567 2.452 30 10 JEEE C[C@H](CNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2247901429 KLDLUDMSIQGDRP-CYBMUJFWSA-N 460.427 2.380 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]1CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2247952928 QINIJYKEHTXFNA-GXTWGEPZSA-N 458.411 2.239 30 10 JEEE CN(C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCN(C(=O)OCc2ccccc2)C1 2255656977 IOHWVRARFQTJNV-SFHVURJKSA-N 468.363 2.202 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C[C@H](O)C1 2255659026 MIPQNJHVKADCSX-HNNXBMFYSA-N 452.382 2.101 30 10 JEEE CC(C)(C)OC(=O)N[C@](C)(CO)CNC(=O)c1cc(F)ccc1B1OC(C)(C)C(C)(C)O1 2267407758 WBIWDCYWRZTXFH-QFIPXVFZSA-N 452.332 2.130 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2267468775 MVBVGOAKXMLJTD-KBPBESRZSA-N 487.453 2.308 30 10 JEEE Cc1nc(C(=O)N2CCOC[C@H](NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2267476398 XJZZQYOCZRCCBS-CQSZACIVSA-N 467.397 2.116 30 10 JEEE CC(C)(C)OC(=O)N1CC(O)(CC(=O)Nc2ccc(F)cc2B2OC(C)(C)C(C)(C)O2)C1 2268657589 JMDXRKBDOCXYMX-UHFFFAOYSA-N 450.316 2.435 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@](O)(CC(=O)NCc2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2268679296 DMVBCGHDVBKRCZ-QFIPXVFZSA-N 466.409 2.426 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H](CN(C)Cc1ccccc1)C(=O)O 2269044784 CNNBUBSJFSOKEX-INIZCTEOSA-N 459.377 2.066 30 10 JEEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)N(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)C1 2281976536 CSBZAGDILUVICB-HZPDHXFCSA-N 462.400 2.437 30 10 JEEE Cc1nn(C)c(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@@H]2C)c1B1OC(C)(C)C(C)(C)O1 2281977914 VSXQJXYIXHZDAL-HOTGVXAUSA-N 462.400 2.498 30 10 JEEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@@H](F)[C@H](NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C2 2281978125 YKQXAQUCTBOWKH-UKMLZYKCSA-N 464.347 2.317 30 10 JEEE Cc1nn(C)c(C(=O)N2C[C@@H]3CC[C@@]3(NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2281988032 GTTVOKGJFZMBKU-NPMXOYFQSA-N 460.384 2.157 30 10 JEEE CC(C)(C)OC(=O)N1CC(F)(CNS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)c(F)c2)C1 2282325766 JHMYDQYISXUFRD-UHFFFAOYSA-N 488.362 2.362 30 10 JEEE CCn1cc(C(=O)NC[C@]23C[C@@H]2CN(C(=O)OC(C)(C)C)C3)nc1B1OC(C)(C)C(C)(C)O1 2282540982 RGVPSMPFSRQYIY-CMJOXMDJSA-N 460.384 2.189 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@]23CCC[C@@H]2CN(C(=O)OC(C)(C)C)C3)n1 2282551906 GSUNHFVZPHFHLT-CMJOXMDJSA-N 460.384 2.239 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2C[C@H]1CN(Cc1ccccc1)C2 2282591014 KBJANRJDISCFEV-PMACEKPBSA-N 450.392 2.374 30 10 JEEE C[C@H]1CCN(Cc2ccccc2)CCN1S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282853873 KIXGXIPICDFMNI-SFHVURJKSA-N 474.436 2.004 30 10 JEEE CC(C)(C)OC(=O)NCCCOCCNS(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2282863288 PNGVXXAFCBRHJK-UHFFFAOYSA-N 484.424 2.196 30 10 JEEE CC(C)(C)OC(=O)NCCOCCOCCC(=O)N1C[C@@H]2[C@H](C1)[C@@H]2B1OC(C)(C)C(C)(C)O1 2283452076 CUWCJWFCOBKSND-IZZQQSIFSA-N 468.400 2.485 30 10 JEEE CC(C)(C)OC(=O)NC1CN(CC(=O)N2CCc3c(B4OC(C)(C)C(C)(C)O4)cccc32)C1 2283952126 FDMQKWJLPBSWEQ-UHFFFAOYSA-N 457.380 2.084 30 10 JEEE CC1=C(B2OC(C)(C)C(C)(C)O2)CCN(C(=O)CN2CCN(C(=O)OC(C)(C)C)CC2=O)C1 2283961033 AXXPETRVZWHHED-UHFFFAOYSA-N 463.384 2.246 30 10 JEEE Cc1csc(CNC(=O)[C@H](F)C2(O)CN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2284063218 POGRDWSCZFEMTE-INIZCTEOSA-N 484.399 2.292 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H](C(=O)NCc2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2284067833 TYEXBYLEVNTDSF-ROUUACIJSA-N 460.380 2.220 30 10 JEEE CN[C@@H](C#Cc1ccc(Br)cc1)[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 2296304518 IGLVNYDRIMPYFA-IRXDYDNUSA-N 457.390 2.423 30 10 JEEE CCN(CC)S(=O)(=O)c1ccc(C(O)=C2C(=O)C(=O)N(CCOC)[C@H]2c2ccc(O)cc2)cc1 2296851851 PEUHHPWIPHHSGU-NRFANRHFSA-N 488.562 2.491 30 10 JEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2337396169 JWIXVPQFZYPLHE-HUUCEWRRSA-N 467.397 2.197 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)n1C 2362486069 NIZVDULTKHDMTB-CVEARBPZSA-N 460.384 2.109 30 10 JEEE Cc1cc(C)nc(N/C(=N\C(=O)NC23CC4CC(CC(C4)C2)C3)NCCN2CCOCC2)n1 14158281 CICXCWRHGLSTSS-UHFFFAOYSA-N 455.607 2.462 30 10 JEEE COC(=O)c1cc(NC(=S)/N=C(/Nc2nc(C)cc(C)n2)N2CCOCC2)cc(C(=O)OC)c1 14160602 PMTLYRCRQGUBAK-UHFFFAOYSA-N 486.554 2.164 30 10 JEEE Cc1nn(CCO)c(C)c1/C=N/Nc1nc(SCC(=O)Nc2sc3c(c2C#N)CCC3)n[nH]1 59887859 CEAJBQVUCBNPKA-LSFURLLWSA-N 485.599 2.209 30 10 JEEE CCOc1ccc(-n2c(=C(C#N)C(=O)N3CCCC3)sc(=Cc3cnn4ccccc34)c2=O)cc1 729670549 VPRMJNDQOIFYSN-UHFFFAOYSA-N 485.569 2.071 30 10 JEEE C#CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)O 757247928 HBMHZCKGOUCVFC-PKTZIBPZSA-N 472.501 2.452 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)COc2ccc(C#N)c(Br)c2)CCO1 1154526274 DNQHXSHIZCCXLR-HNNXBMFYSA-N 454.321 2.452 30 10 JEEE C#CCCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1286315278 LKBYQERTJIMZRF-KRWDZBQOSA-N 455.515 2.415 30 10 JEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 1286341900 JYWWNJMYPBKFFF-OAHLLOKOSA-N 494.021 2.205 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CCN1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1286392723 BWEPBPCVBRNAKI-RBBKRZOGSA-N 496.637 2.087 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1CC1CCN(CCN(C)C)CC1 1286404221 OFXWEAIRPKXXNL-UHFFFAOYSA-N 486.462 2.393 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(CNC(C)=O)CC1 1286561737 GUTLTTGKTKKAJR-MLNNCEHLSA-N 461.607 2.336 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC[C@](C)(CC)O1)C1CC1 1286738366 UBZGHCVPJDREQT-LQWHRVPQSA-N 453.609 2.114 30 10 JEEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN([C@H](C)c2ccc(F)cc2F)CC1 1286770938 OCUGOENASSAFGW-LSDHHAIUSA-N 454.547 2.236 30 10 JEEE C=CCNC(=O)Cn1c(N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)nnc1C1(c2ccccc2)CCC1 1286793440 XYOZVHZSNSKHSW-ROUUACIJSA-N 459.616 2.308 30 10 JEEE CCO[C@@]1(c2nnc(N3CCCN(c4ccccc4C#N)CC3)n2CC(C)(C)C(=O)NC)CCOC1 1296638266 HVLMDBMLUZZQLU-SANMLTNESA-N 495.628 2.291 30 10 JEEE CN(C)c1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2cccc(C#N)c2)cn1 1298055401 CLTRMDTUGDZPQU-HXUWFJFHSA-N 465.583 2.198 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1cc(C(CC)CC)no1)[C@H]1CCS(=O)(=O)C1 1300488587 SXGAOTCXZMBVAM-SFHVURJKSA-N 471.587 2.245 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCc1ccc(O)cc1)[C@@H]1CCS(=O)(=O)C1 1300491776 IQPGOUSJWDFXEO-LJQANCHMSA-N 451.552 2.224 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1ccc(OCC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1300495571 INVCLMFAXOCPJC-UXHICEINSA-N 488.610 2.254 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@@H]1CCC[C@@H]1OC)[C@H]1CCS(=O)(=O)C1 1300498998 ONHREMURVVAGJN-ONTIZHBOSA-N 472.611 2.319 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(C)c(Br)c2)n1CCCn1cc(CO)nn1 1300521899 XHPGNYVBURVMAN-UHFFFAOYSA-N 468.359 2.263 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(OC)ccc2Br)n1CCS(C)(=O)=O 1300562064 ZRHIVXDFFSTTRD-UHFFFAOYSA-N 465.373 2.224 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1300655114 OSBBGCZGWVWXAK-UHFFFAOYSA-N 485.976 2.334 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC(F)(F)F)cc1 1300671497 KEOAHVOQCVOXKH-INIZCTEOSA-N 472.489 2.213 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCCOC3)n2C[C@]2(O)CCC[C@H]2C)n1 1300680984 IMTCNJKMGOHBAX-YOSAUDMPSA-N 456.591 2.206 30 10 JEEE C#CCSCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1300742806 AHWYHRILGDLBCP-HSZRJFAPSA-N 471.583 2.196 30 10 JEEE C=C(Br)Cn1c(N2CCO[C@]3(CCOC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1300862696 CGSNYYLFKFZDGV-MOPGFXCFSA-N 457.369 2.223 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1Cc2cccc(Br)c2C1 1300952464 WJNLGWPXBLIOSV-QGZVFWFLSA-N 482.404 2.470 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](c2ccccc2)N(C)C)CC1 1301123376 BWKVKZNSMGLDCB-FGZHOGPDSA-N 488.658 2.316 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc(C(=O)NC(C)C)n1C[C@H]1CCCN1S(C)(=O)=O 1301342349 VVBCRFHCOCYUAR-LJQANCHMSA-N 460.604 2.033 30 10 JEEE COCCN(C)S(=O)(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccoc2)C1 1301739692 DAUGPSRRIWFQPD-OAQYLSRUSA-N 484.582 2.335 30 10 JEEE C#CCCOc1ccc(C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2N2CCOCC2)cc1 1357140717 KVXXAYPIGPTVIR-UHFFFAOYSA-N 457.552 2.428 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CCCC3)n2CCC(=O)N2CCOCC2)c1 1358902633 UUFIJJQTUMNUDJ-UHFFFAOYSA-N 464.570 2.241 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@](C)(O)[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1358959204 DNROUDUQIBKNPK-KDLAUNOPSA-N 490.626 2.386 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(O)CCCC1 1358994223 HSEUPWUIHBSEQR-IBGZPJMESA-N 457.575 2.355 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1359099676 RJGKGQQBDSNOBQ-UGKGYDQZSA-N 491.662 2.011 30 10 JEEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1359135231 WQANCMCYSDDGTJ-NRFANRHFSA-N 453.591 2.439 30 10 JEEE C=C(Cl)Cn1c(-c2noc3c2COCC3)nnc1N(CCO)CCOCC(F)(F)F 1359149095 NJKAVVXURFDQMT-UHFFFAOYSA-N 451.833 2.136 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 1359312912 CPEQLMRGODJSFR-OKZBNKHCSA-N 498.650 2.069 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)C1 1359325044 WVXABTKREBYMJP-MSOLQXFVSA-N 462.595 2.437 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCC(C(=O)NCCC)CC1 1359330023 DJZIGIKLUPPALQ-UHFFFAOYSA-N 463.579 2.428 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](c2nc(C)no2)C1 1359332193 RHLPFENZDZDHPO-IRXDYDNUSA-N 450.565 2.196 30 10 JEEE CC(C)N1CCC(O)(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCO[C@@H](C#N)C2)CC1 1360138108 AUHBFSBMRWSBIU-XUVXKRRUSA-N 460.623 2.161 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1C[C@@](C)(O)c1ccccc1Cl 1360671617 HIJLPWFRJUVJDJ-JLTOFOAXSA-N 466.995 2.189 30 10 JEEE Cn1nc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1-c1ccc(F)cc1 1464026772 FIYKSAUWYKBWFJ-UHFFFAOYSA-N 453.499 2.245 30 10 JEEE C#CC[C@H](NC(=O)c1cccc(S(=O)(=O)Nc2cc(Cl)ccc2OC)c1)C(=O)OC 1468872608 JLGHDSDVGAUURB-INIZCTEOSA-N 450.900 2.444 30 10 JEEE C#C[C@@H](NS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1)C1CCOCC1 1475514732 KPQFIERXRDPQSL-LLGFUMIMSA-N 454.614 2.060 30 10 JEEE CC[C@@H](C)[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1494869656 FQADQLQEKDPZQM-DWXRJYCRSA-N 488.596 2.434 30 10 JEEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1CCC1(O)CCC1)[C@H]1CCS(=O)(=O)C1 1507637878 CLQKVGLKTQQHMD-FQEVSTJZSA-N 472.611 2.406 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(OC)c2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1507644660 LHCWVQOPDUCXOZ-RBBKRZOGSA-N 467.595 2.231 30 10 JEEE C#CCN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1507679235 SNDFCOSPBNTPBU-MZLICYQSSA-N 473.597 2.124 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CC[C@@H](OC)C(F)(F)F)CC1 1507738950 IXTGELKXWNOBMY-DLBZAZTESA-N 457.497 2.105 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCOc2ccccc2)CC1 1507741372 QUQSGHZCEABYEW-UNMCSNQZSA-N 467.570 2.047 30 10 JEEE C#CCSCCn1c(Cn2ccc3ccccc32)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1507752574 BTYCBHZFEMVTLJ-UYAOXDASSA-N 453.568 2.008 30 10 JEEE C#CCSCCn1c(N2CCC[C@H](Cc3noc(C)n3)C2)nnc1[C@@]1(OCC)CCOC1 1507758257 KFBMKYWKTYINRR-XMSQKQJNSA-N 460.604 2.447 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1507804775 HURVUYIHOHPWBJ-SEINPYIVSA-N 484.597 2.413 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1507811180 OARTYSKAFDYZRP-DYESRHJHSA-N 458.563 2.491 30 10 JEEE C=C(Cn1c([C@@H](C)OCCOC)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1)c1ccccc1 1507856536 ZZAUIJHKLKAFCS-GGAORHGYSA-N 482.629 2.458 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c(C)nnc1N1CCN(c2ccc3nncn3n2)CC1)C(C)C 1508011127 MQAYMTZZIORGDT-FQEVSTJZSA-N 450.595 2.049 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCOC1 1508037919 FYBSLMSNNAOZBY-ROUUACIJSA-N 451.568 2.262 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC(c2nc(C)no2)CC1 1508072730 GGQSJOVBZOFPMZ-UHFFFAOYSA-N 467.530 2.340 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCN(c2ccc(O)cc2)CC1 1508134249 QZNZWQZYTKHXLV-UHFFFAOYSA-N 457.556 2.480 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(CC)[C@H](C)C1 1508136639 VHNVLZOQOFLBFT-QGZVFWFLSA-N 463.604 2.094 30 10 JEEE Cc1nn(C)c(N2CCN(C(=O)[C@@H]3CC(=O)N(C)[C@H]3c3ccc(Cl)c(F)c3)CC2)c1C#N 1516422592 BQOOZDNNSZZADZ-QRWLVFNGSA-N 458.925 2.261 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Cl)n1CCSCCCO)[C@@H]1CCS(=O)(=O)C1 1539210069 ANJFJEGQGPIVLL-MRXNPFEDSA-N 469.032 2.341 30 10 JEEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(S(C)(=O)=O)cc1 1539333625 IEJMHBUKCGCIJC-UHFFFAOYSA-N 481.603 2.184 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCOc2ccc(Cl)cc2)CC1 1539428598 UGELSTFGUMAHME-UHFFFAOYSA-N 465.945 2.413 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2Cc2nncn2CC)CC1 1539436253 ODEQCAHSZFIIQB-UHFFFAOYSA-N 464.574 2.156 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@]2(O)CCC[C@@H]2C)CC1 1539474626 VPUGAJLPPSAPLP-BVZFJXPGSA-N 451.571 2.471 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCN1CC=CCC1 1539540349 LUVIPWPUSHNWRP-XMMPIXPASA-N 468.627 2.449 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCS(C)(=O)=O 1539569903 LDOQZAUYKMLRNI-HYFFOGBASA-N 465.620 2.476 30 10 JEEE C=C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC2([S@](C)=O)CC2)CC1 1539835737 IIAJOMLOYMPJQO-PMERELPUSA-N 463.629 2.263 30 10 JEEE C=CCNC(=O)Cn1c(N2CCO[C@H](c3ccc(F)cc3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1540875905 BDRAYCMFVGRXDO-GBXCKJPGSA-N 473.549 2.338 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CCN(c2cnn(C)c2)CC1 1540898890 YATFVIHIROUGSB-UHFFFAOYSA-N 476.006 2.259 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCCN(C2CCCC2)CC1 1540903256 AGJIVLWHJCWTQG-UHFFFAOYSA-N 458.632 2.319 30 10 JEEE CC(C)(C)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1541193895 HAHMXBZNLTXYML-HXUWFJFHSA-N 471.631 2.161 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1Cc1ccco1 1545916279 BHRMDWTVRRXKJX-UHFFFAOYSA-N 465.562 2.078 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H](CC(C)C)NC(=O)OCC)[C@@H]1CCS(=O)(=O)C1 1588050188 PLJCTIOJCRDSMC-QZTJIDSGSA-N 476.603 2.061 30 10 JEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1CCN(CCC)CC1 1588124198 FTVWDXNVWDIISJ-UHFFFAOYSA-N 467.643 2.433 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(=O)N[C@@H](C)CC)c1 1588386212 NXZUJBCRPIIXLQ-FXAWDEMLSA-N 457.600 2.216 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCCN(C)C(=O)OC(C)(C)C 1589150779 LASLPGVNTVYULW-HRAATJIYSA-N 468.624 2.137 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccn2C)n1CCS(=O)(=O)N(C)C 1595094597 VCSCSLVGUFGTCL-UHFFFAOYSA-N 453.572 2.239 30 10 JEEE CC(=O)N1CCN([C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CC(C)(C)CN(C)C)C[C@H]2C)CC1 1596267693 KLEYTKZFGHUBTN-HYBUGGRVSA-N 492.672 2.393 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CC1([S@@](C)=O)CCC1 1608562418 CEDKQEIWKDRASS-UUWRZZSWSA-N 487.605 2.055 30 10 JEEE CN(Cc1ncnn1CC(F)F)c1nnc(-c2cccc(C#N)c2)n1CCCN1CCOCC1 1618025252 DBCANWDSPABUIV-UHFFFAOYSA-N 471.516 2.032 30 10 JEEE C=C[C@@H]1OCCC[C@H]1NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1 1624551012 PVLVZESGFOBWFD-YADHBBJMSA-N 477.627 2.273 30 10 JEEE C=CCO[C@@H]1CCN(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)c2ccc(C(C)(C)C)cc2)C1 1631483410 VVGLUSYLJKNOHR-UXHICEINSA-N 450.601 2.321 30 10 JEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2C[C@@H](F)C[C@H]2CN(C)C(=O)OC(C)(C)C)c1 1636448156 AAHJMRWOJGKQCK-IRXDYDNUSA-N 453.536 2.018 30 10 JEEE C#CC[C@]1(C(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)CCCN1C(=O)OC(C)(C)C 1649091704 YVWGCTVCHGSAKA-YGKZAACZSA-N 451.564 2.123 30 10 JEEE CN(CCNC(=O)C1CCN(S(=O)(=O)Cc2cccc(C#N)c2)CC1)Cc1ccccc1 1667650018 HIKDCQJVHJLJPV-UHFFFAOYSA-N 454.596 2.348 30 10 JEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2c(F)ccc(F)c2C1 1689892756 MWFIDAMQDWTPJM-HXUWFJFHSA-N 479.553 2.255 30 10 JEEE C#CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1689914764 CGRBIENZQLEEHA-GOSISDBHSA-N 492.671 2.364 30 10 JEEE C#CCN(c1nnc(-c2cn(C)c3ccccc23)n1CC(C)(C)OC)[C@H]1CCS(=O)(=O)C1 1689988713 UVUNOYCFXWNBKM-KRWDZBQOSA-N 455.584 2.489 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1Cc1ccc(OC)c(OC)c1OC)[C@@H]1CCS(=O)(=O)C1 1689993163 WYRMDEIFQYZETA-GOSISDBHSA-N 476.599 2.177 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCc1ccc(C)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1689997193 XOPJSRSDLPKBGX-JOCHJYFZSA-N 496.637 2.326 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1690098026 SFYFODPAWKFYKU-REPLKXPHSA-N 450.547 2.210 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1690662790 DOBZPIBFZHOJTH-KBPBESRZSA-N 484.420 2.268 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1690662947 GUPTTXHZSOIZQF-GASCZTMLSA-N 467.542 2.378 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CCN(CC(F)(F)F)CC1 1690725582 VGAGMDOOEZMNPN-UHFFFAOYSA-N 487.548 2.163 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 1690731522 KQZNGBIENNSFAK-GOSISDBHSA-N 483.635 2.472 30 10 JEEE COc1c(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)oc2ccccc12 1697239630 IEBMAKBJMNWQLN-XCLFUZPHSA-N 462.507 2.133 30 10 JEEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCN(C(C)C)CC2)C[C@H](C)O1 1697910417 GPBFEGKYCQBDBL-REWPJTCUSA-N 498.628 2.204 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1Cc1cn(C2COC2)nn1 1705481709 LKXHDIMQXSQWFZ-CYBMUJFWSA-N 472.347 2.385 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)(C)C)n2CC2(CS(C)(=O)=O)CC2)c1 1705503712 CGGHRLHRQHSHFF-UHFFFAOYSA-N 457.600 2.457 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1Cc1nnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1705568440 NOZROJNDVBSWAQ-QGZVFWFLSA-N 472.596 2.000 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCNC(=O)[C@H](C)CCC)CC1 1705631872 CFCRRSMJPCHEOG-HXUWFJFHSA-N 479.629 2.455 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccn3C)n2CCN(C(=O)OC(C)(C)C)C2CC2)CC1 1705637845 ODOBTSAQIDKMBO-UHFFFAOYSA-N 453.591 2.438 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2CC2(CC)CCOCC2)CC1 1705644618 WYXWXVZDVIVRKU-UHFFFAOYSA-N 472.634 2.369 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCNC(=O)C(C)C)CC1 1705646006 NJAUYVFNPVZVKV-UHFFFAOYSA-N 474.968 2.476 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCN(CCC)C(=O)OC(C)(C)C)CC1 1705648254 UGACBPMVJPXOSV-UHFFFAOYSA-N 496.616 2.348 30 10 JEEE C=C(C)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1705724454 OTFARYUONBYNKH-INIZCTEOSA-N 456.572 2.264 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccc(NC(N)=O)cc2)C1 1705916651 MMKBWAHXLFUXCQ-CVDCTZTESA-N 456.547 2.250 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CC(C)(C)C(=O)NCC)C1 1705925602 RIQWVBKMEBYTFV-HXUWFJFHSA-N 482.633 2.396 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)C(C)C)C1 1705925688 SOLRFTWUBWHUEL-ZWKOTPCHSA-N 455.625 2.075 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 1705932171 NVHYCMNSUWCULI-OAHLLOKOSA-N 496.519 2.393 30 10 JEEE CCN(CC)[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@H]2C1 1710015827 CMGYKZRGRIVFIA-IEBWSBKVSA-N 453.547 2.100 30 10 JEEE CNC(=O)C(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1711284223 AFUSPHKQFWVLER-UHFFFAOYSA-N 461.570 2.452 30 10 JEEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)N2C[C@H](C)O[C@H](C)C2)C[C@H]1OC 1712684720 FHEIZNFRDFEIHG-PVTAMDAMSA-N 498.628 2.467 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1Cc1cnc(C)s1)[C@H]1CCS(=O)(=O)C1 1722362626 NWEASKYGNPRETP-HNNXBMFYSA-N 462.988 2.433 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@@H]1CCN(CCC)C1)[C@H]1CCS(=O)(=O)C1 1722371493 JGFSRTNQJZONJB-PKTZIBPZSA-N 469.655 2.422 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ncc(CC)s1 1722375581 PYIJAACHFYVBFB-UHFFFAOYSA-N 468.608 2.335 30 10 JEEE C#CCSCCn1c(N2CCC[C@H](NC(=O)C(C)C)C2)nnc1[C@]1(OC(C)C)CCOC1 1722463419 BPIZAVHBRHKAPN-CVDCTZTESA-N 463.648 2.426 30 10 JEEE C=CCN(CC=C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@]1(O)CCN(C)C1 1722669300 PUOHAYLBVSXRDJ-RUZDIDTESA-N 463.586 2.481 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc(C(=O)Nc2ccccn2)n1C[C@@]1(O)CCN(C)C1 1722689120 FWIPVRWGVBIQTR-RUZDIDTESA-N 461.570 2.227 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(c2ccccc2)CC1 1722728319 PQINFBKFAAIZQJ-HXUWFJFHSA-N 478.640 2.165 30 10 JEEE C#CCCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(NS(C)(=O)=O)CC1 1740572576 PCHUORMHIKAZKX-UHFFFAOYSA-N 459.572 2.038 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@@H](C)CN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1740619834 LQMQNVQXOJWYDV-PZJWPPBQSA-N 471.627 2.312 30 10 JEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1C[C@@H]1CCCN1CCCO)[C@H]1CCS(=O)(=O)C1 1740620020 SMRJXFCNMZFHOM-SFTDATJTSA-N 492.045 2.072 30 10 JEEE C#CCN(c1nnc(-c2noc3c2COCC3)n1CC[C@@H](OCC)C(C)C)[C@H]1CCS(=O)(=O)C1 1740623492 VFIJILPYJIOMCO-PKOBYXMFSA-N 491.614 2.084 30 10 JEEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1Cc1ccc(F)cn1)[C@@H]1CCS(=O)(=O)C1 1740628311 PHFAFRUFBVURCM-LJQANCHMSA-N 485.541 2.075 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2CC2CCN(c3ccncc3)CC2)CC1 1740689853 DTKQMESNYFBUPQ-OAQYLSRUSA-N 467.618 2.069 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCC2(CC1)COC(=O)N2 1740751422 KCVLQLIWRBBCNL-AEFFLSMTSA-N 460.579 2.257 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C2CCOCC2)CC1 1740751988 QRKIKMNIPWBKSN-DENIHFKCSA-N 474.650 2.479 30 10 JEEE C=C(Cl)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1740804783 DVLYYZVYMDRNCV-KBPBESRZSA-N 461.009 2.359 30 10 JEEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1740842696 JALMAPXIPYDAPA-SFHVURJKSA-N 464.636 2.121 30 10 JEEE C=CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1740860284 YQUMOHBBJCPROE-QUCCMNQESA-N 488.614 2.486 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 1740952153 WCWGFZLZUDAGDO-UHFFFAOYSA-N 498.588 2.063 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC(C(=O)N2CCCC2)CC1 1740955362 RRCMKKKMKYENKL-UHFFFAOYSA-N 482.585 2.103 30 10 JEEE CC(C)NC(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1741685664 CYPJGCQQCFAIIN-UHFFFAOYSA-N 487.008 2.183 30 10 JEEE CC(C)NS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@@](F)(C#N)C1 1741710514 CQMVUONGLIZIIR-LJQANCHMSA-N 454.959 2.292 30 10 JEEE CC(C)OC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCSC2)CCO1 1741745641 CXKQQGHNTIRCHR-OFNKIYASSA-N 473.599 2.227 30 10 JEEE CN(C)CCOc1cccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CC[C@](F)(C#N)C2)c1 1747594340 GTGUZTWSUXDDNW-DEOSSOPVSA-N 478.532 2.356 30 10 JEEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CCS(=O)(=O)Cc1ccccc1 1748684061 BVELZBSTOKUFJI-KRWDZBQOSA-N 471.608 2.343 30 10 JEEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1748763765 ADDGRXXEKHLCSO-QZTZHPFYSA-N 456.591 2.425 30 10 JEEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@H]1CCCS(=O)(=O)C1 1748784575 PNBJXBSZQFHTOF-KRWDZBQOSA-N 468.583 2.130 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC2CCCC2)n1C[C@]1(O)CCS(=O)(=O)C1 1748946367 GXCLOLDNYLARHQ-HSZRJFAPSA-N 460.575 2.339 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CC2([S@](C)=O)CC2)CC1 1748984779 QURYTWLRRRDSCM-XIFFEERXSA-N 471.627 2.407 30 10 JEEE COc1ccccc1SCc1nnc(N2CCO[C@@H](C#N)C2)n1CCS(=O)(=O)CC1CC1 1749115311 GBBXLJBLAKWNNT-KRWDZBQOSA-N 477.612 2.133 30 10 JEEE C=CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1749633513 DMDQLXCJENLJEM-KRWDZBQOSA-N 459.620 2.413 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N(C)CC(=O)N(C)[C@H](C)c1ccccc1 1749669970 MQGJQCJKNKVERR-UYAOXDASSA-N 454.575 2.478 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)C[C@@H]1CCCOC1 1749730406 CHYSUAGAUZGSKN-INIZCTEOSA-N 472.571 2.058 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2C[C@@H]2CCOC[C@H]2OC)c1 1760127899 QCQGLHYZJPDHSL-CEWLAPEOSA-N 453.543 2.237 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2ccc(Cl)cc2)C1 1760155142 REVVBPINDRBINB-VQTJNVASSA-N 494.017 2.256 30 10 JEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@]1(C)CCO[C@@H]1C1CC1 1760172955 DXAQOIAJRRISHR-NFBKMPQASA-N 457.600 2.470 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1CCN1CCSCC1)[C@@H]1CCS(=O)(=O)C1 1760184633 XOUZVTBQPUVTLQ-QGZVFWFLSA-N 498.049 2.413 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CC(=C)Br)[C@H]1CCS(=O)(=O)C1 1760185190 RVEATPKWVIIREI-KRWDZBQOSA-N 460.357 2.352 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CC(C)(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1760191917 BILUPCKMEXYTJH-FHWLQOOXSA-N 452.621 2.311 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1760192954 PVQDGHFLNOJHCP-KURKYZTESA-N 481.619 2.012 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2OC)n1CC1(S(C)(=O)=O)CCC1 1760214671 XNJKPJDSOFOCFY-UHFFFAOYSA-N 456.568 2.393 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@H](c1ccccc1)N1CCCC1 1760243077 BSBRTROPQFOVQV-QFIPXVFZSA-N 450.587 2.437 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc(NC(C)=O)cc2)CC1 1760257533 YPPKNZYHLOFHLI-VWLOTQADSA-N 466.586 2.081 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2Cc2cccc(NC(C)=O)c2)CC1 1760268302 PREVKQQKMNEGJY-UHFFFAOYSA-N 459.554 2.256 30 10 JEEE C=C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2CCCN2CCCO)CC1 1760384488 YYTXEGBIELFLMS-FQEVSTJZSA-N 459.616 2.352 30 10 JEEE C=CC1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@]2(O)CCO[C@H]2C)CC1 1760398767 LTSKJFTXYFTRIR-SBUREZEXSA-N 475.615 2.138 30 10 JEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(OC(F)F)c1 1760510350 SUNILFFWYRBMBP-MRXNPFEDSA-N 457.503 2.035 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1760516360 LVKVDSUERBUFTA-GOSISDBHSA-N 487.580 2.443 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@H]1c1nncn1C 1760523602 CPFYNIYZNPDLAK-ROUUACIJSA-N 499.620 2.165 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1760539801 WEVLQGWVTSLARG-MOPGFXCFSA-N 476.559 2.059 30 10 JEEE CC(C)(C)C(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CCC2)CC1 1760707817 FFHQTDDKOZPLMC-UHFFFAOYSA-N 484.626 2.479 30 10 JEEE C[C@H](CC(N)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@](C)(O)c1ccsc1 1761370617 FSDXDBPSLMTIEJ-IVZQSRNASA-N 454.556 2.398 30 10 JEEE COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cc(C)nn2C)C[C@@H](C)O1 1770960268 GVEUBHUYOKZMLG-DYESRHJHSA-N 451.531 2.059 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@H](OC)C1 1772567170 MIPRJYVLPRMEKX-MSOLQXFVSA-N 462.595 2.310 30 10 JEEE N#Cc1ccccc1S(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc3c(c2)CC(=O)N3)nc1 1858293285 UIPVPSWUDLTZKT-UHFFFAOYSA-N 469.504 2.049 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)C(=O)N[C@@H](C(=O)O)[C@H](C)CC)c(C(=O)OCC)c1C 1860760698 CXFGEFVFGNFTKM-ZWNOBZJWSA-N 454.501 2.130 30 10 JEEE COc1cc([C@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2CCN(C)C)cc(OC)c1O 1862744366 XJRFTQMENWPQFD-IBGZPJMESA-N 471.466 2.458 30 10 JEEE C=CCn1c(C(=O)N2CCN(c3ccccn3)CC2)cc2c(N(CCOC)CCOC)ncnc21 1873562811 UKQLUMOZWCLBHK-UHFFFAOYSA-N 479.585 2.074 30 10 JEEE COCCN1CC(=O)C(c2nc(C)cs2)=C1NC(=O)[C@@H]1CC(=O)N([C@@H](C)c2ccccc2)C1 1873710503 HRNCVNGVSMPGEK-FUHWJXTLSA-N 468.579 2.377 30 10 JEEE COc1cc(/C=N/n2c(CNC(C)=O)nnc2SCCO)cc(Br)c1OC(C)C 1874436280 UBAKFHKJOZVFIC-ZVBGSRNCSA-N 486.392 2.439 30 10 JEEE CC(C)(C)OC(=O)N[C@H](C(=O)Nc1ccc(Br)c(C#N)c1)C1CS(=O)(=O)C1 2197508388 QOXAYVPRZKXVFP-AWEZNQCLSA-N 458.334 2.197 30 10 JEEE CC(C)(C)OC(=O)NCC12COC(C(=O)Nc3cc(B4OC(C)(C)C(C)(C)O4)ccn3)(C1)C2 2207229712 BKRKXOYYCAMADG-UHFFFAOYSA-N 459.352 2.393 30 10 JEEE CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2248430200 WALGJAGTUAFMQE-ZDUSSCGKSA-N 455.411 2.369 30 10 JEEE CN(C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCN(C(=O)OCc2ccccc2)C1 2255656976 IOHWVRARFQTJNV-GOSISDBHSA-N 468.363 2.202 30 10 JEEE CN(C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)[C@H]1CCN(C(=O)OCc2ccccc2)C1 2255838894 NDKVGVBJOUWAKZ-IBGZPJMESA-N 466.347 2.259 30 10 JEEE C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1cc(B2OC(C)(C)C(C)(C)O2)cs1 2256621745 YOPJBGLMORWPQZ-CZUORRHYSA-N 454.398 2.280 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1COC[C@@H]1C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)s1 2256623188 PMFANVOKGGNNFZ-GJZGRUSLSA-N 452.382 2.203 30 10 JEEE CC(C)[C@@H](CCNC(=O)OC(C)(C)C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2256639795 KYJGOWORTTYWRC-CYBMUJFWSA-N 454.402 2.385 30 10 JEEE CC(C)(C)OC(=O)NCC1(NC(=O)c2cc(F)ccc2B2OC(C)(C)C(C)(C)O2)COC1 2267403112 IMLYYGCCLNRBHN-UHFFFAOYSA-N 450.316 2.148 30 10 JEEE C[C@H]1CCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C[C@@H]1NC(=O)C(F)(F)F 2267412474 NMGDJIGDMMOLHY-AAEUAGOBSA-N 482.355 2.125 30 10 JEEE CC1(C)OB(c2cc(C(=O)NC[C@@H]3CN(Cc4ccccc4)CCCO3)ns2)OC1(C)C 2267533748 XOTRGARRZYPESZ-GOSISDBHSA-N 457.405 2.463 30 10 JEEE CC(C)[C@H](CCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1)NC(=O)OC(C)(C)C 2267549776 PRRDUZIWYSJTEB-HNNXBMFYSA-N 450.389 2.389 30 10 JEEE Cc1sc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)c(B2OC(C)(C)C(C)(C)O2)c1C 2267564559 ILMIDZHIYXANNE-CABCVRRESA-N 466.409 2.374 30 10 JEEE CO[C@@]1(C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)CCN(C(=O)OC(C)(C)C)C1 2268645428 PEUPXVSQYDUWLB-NRFANRHFSA-N 467.397 2.085 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@H](C(=O)N3CCC(B4OC(C)(C)C(C)(C)O4)CC3)O[C@@H]2C1 2279911000 ACZBAWWRUQESDN-RCCFBDPRSA-N 466.384 2.475 30 10 JEEE CN(C[C@H](O)CN(C)C(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1F)C(=O)OC(C)(C)C 2281776194 OTCZJEGGNOGCOP-OAHLLOKOSA-N 466.359 2.425 30 10 JEEE CN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1)[C@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C 2281959709 PQBBRJNGDANTOV-WBVHZDCISA-N 462.400 2.485 30 10 JEEE CC(C)(C)OC(=O)NCCN1CCC(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)CC1 2281993949 INIMSFUKQJHMLP-UHFFFAOYSA-N 480.440 2.161 30 10 JEEE COCCOCCN(Cc1ccccc1)C(=O)c1c(C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281999214 CGOWJFUZJBDYFD-UHFFFAOYSA-N 457.380 2.333 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2[C@H](CNC(=O)c3ncc(B4OC(C)(C)C(C)(C)O4)cc3F)[C@H]2C1 2282042546 CVYBJMKYUCPZDJ-PHZGNYQRSA-N 461.343 2.363 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H]3CC[C@@](NC(=O)OC(C)(C)C)(C3)C2)n1 2282043553 KGULIPHZVJLTHH-NPMXOYFQSA-N 460.384 2.239 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2F)[C@@H](O)C1 2282395418 MAUNKDZWQBFYSQ-KSSFIOAISA-N 464.343 2.083 30 10 JEEE CC1(C)OB(c2cnccc2C(=O)NCC2(O)CCN(Cc3ccccc3)CC2)OC1(C)C 2282513017 MQECGCZYMJORAV-UHFFFAOYSA-N 451.376 2.138 30 10 JEEE C[C@@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)C[C@]1(C)CNC(=O)OC(C)(C)C 2282532682 ASXAVUWLYDZPLN-CMJOXMDJSA-N 462.400 2.342 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1F 2282587761 PNWPEMPAOVYRKC-CVEARBPZSA-N 466.363 2.280 30 10 JEEE Cn1nc(C(=O)N[C@@]23CC[C@@H](CN(C(=O)OC(C)(C)C)C2)C3)cc1B1OC(C)(C)C(C)(C)O1 2282621800 XCKKGBUGQZLQBW-IQMFZBJNSA-N 460.384 2.239 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCCO[C@H]2[C@@H]1NC(=O)c1ccoc1B1OC(C)(C)C(C)(C)O1 2282631791 BHNASVJHLXVQRW-RKTXRCNFSA-N 462.352 2.379 30 10 JEEE CC(C)(C)OC(=O)N[C@@]12CC[C@@](CNC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)c[nH]3)(C1)OC2 2282642826 SGAPYZBDYOEJOL-GOTSBHOMSA-N 461.368 2.260 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@@](O)(CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2282685898 LPTCTHFLGUJKAM-XMMPIXPASA-N 460.380 2.478 30 10 JEEE Cc1ccc(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)cc1B1OC(C)(C)C(C)(C)O1 2282691758 OGZOBOJXYVKQAS-IEBWSBKVSA-N 460.380 2.252 30 10 JEEE C[C@H]1CN(S(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C[C@@H](C)N1C(=O)OC(C)(C)C 2282829270 CEIKPPQNRQYPDD-IYBDPMFKSA-N 481.424 2.399 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1COC[C@@H]1C(=O)N1CCc2cccc(B3OC(C)(C)C(C)(C)O3)c21 2284041764 QICDTTNEVMYIFH-WMZOPIPTSA-N 458.364 2.415 30 10 JEEE CC(C)(C)OC(=O)N[C@H](C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1)[C@H](O)C(F)(F)F 2284060780 RLSUYBKNJBRJJS-KBPBESRZSA-N 475.273 2.136 30 10 JEEE CN(Cc1ccccc1)C[C@@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1O)C(=O)O 2284495313 XVGNYKVHVJGWAO-LJQANCHMSA-N 454.332 2.006 30 10 JEEE C=CCN1C(=O)C(=Cc2cc(I)c(O)c(OCC)c2)C(=O)NC1=S 2294204962 YYNZAFJJRQGJDG-UHFFFAOYSA-N 458.277 2.208 30 10 JEEE NS(=O)(=O)c1ccc(CCNC(=O)C(=O)C=Cc2ccc(Br)cc2F)cc1 2318789517 KFHRNTALAFUWGL-UHFFFAOYSA-N 455.305 2.177 30 10 JEEE C=CC1(N[C@](C)(C(=O)O)[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)CN(C(=O)OC(C)(C)C)C1 2326232961 IMXQBAOSIXHBSF-BTYIYWSLSA-N 455.552 2.231 30 10 JEEE CC(C)(C)OC(=O)N1CC(OCCCNC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)C1 2337236256 WTWNDVPMDCONAU-UHFFFAOYSA-N 467.397 2.198 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](C1)[C@@H](NC(=O)c1cc(B3OC(C)(C)C(C)(C)O3)n[nH]1)C2 2359267833 GWAHWRMFPJCPEA-OAGGEKHMSA-N 460.384 2.474 30 10 JEEE Cn1nc(C(=O)N[C@H]2C[C@@H]3C[C@H](NC(=O)OC(C)(C)C)[C@@H]3C2)cc1B1OC(C)(C)C(C)(C)O1 2359268185 YPMRFRAWKBNPTP-QXSJWSMHSA-N 460.384 2.141 30 10 JEEE CC(C)(C)OC(=O)N1CC(OCCNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2F)C1 2362201889 KYJNKWMHNCJUDV-UHFFFAOYSA-N 464.343 2.491 30 10 JEEE N#C[C@H]1CN(C2(C(=O)O)[C@H]3COC[C@H]2CN(Cc2ccccc2)C3)CCN1Cc1ccccc1 2372471499 BKKVTJKWMLPGAC-SDHSZQHLSA-N 460.578 2.298 30 10 JEEE COCCc1nc2scc(C(=O)O)c2c(=O)n1CC(=O)Nc1sc2c(c1C#N)CCC2 40692872 KDNRTGCBAGNWLZ-UHFFFAOYSA-N 458.521 2.406 30 10 JEEE CCCCSc1nnc(NC(=O)CSc2n[nH]c(N/N=C/c3cnn(C)c3)n2)s1 59310929 NQXFBYMMIBBDSZ-OMCISZLKSA-N 452.595 2.459 30 10 JEEE C=CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)N1CCN(CC(=O)NC(C)C)CC1 253575632 UVNJVWCISBMOCJ-UHFFFAOYSA-N 485.658 2.146 30 10 JEEE CC(=O)OC[C@]12C(=O)[C@H](O)[C@H](C)[C@]3(C[C@H](c4ccoc4)O[C@@H]3OC(C)=O)[C@H]1CCC[C@]21CO1 256069501 MVZLPYVWRQUGCU-XSVRVAIESA-N 462.495 2.315 30 10 JEEE biogenic COc1ccc(OC)c(-n2c(=C(C#N)C(=O)NCc3ccco3)sc(=Cc3ccccc3)c2=O)c1 523257628 DEGYMZGJIPUVNV-UHFFFAOYSA-N 487.537 2.329 30 10 JEEE C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)cc1 1137803763 AYSVALXNKGVYOX-ZDUSSCGKSA-N 459.915 2.309 30 10 JEEE C=CCS(=O)(=O)CCNC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(OC)cc2)c1 1152043263 WDMSSJAAULHQQT-UHFFFAOYSA-N 452.554 2.135 30 10 JEEE COc1cc([C@H](C)NCC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)ccc1OCCO 1168611277 AKUFRDSDVRZHFZ-PKOBYXMFSA-N 458.584 2.187 30 10 JEEE CC1(C)CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)[C@H]1C#N 1194100864 GEPLCUCRSLWLMI-SFHVURJKSA-N 456.971 2.326 30 10 JEEE C#CCCCn1c(Cc2ccccc2OC)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1286352226 YGZGSPVEVOQRDI-OAQYLSRUSA-N 464.614 2.424 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1CC(C)(C)N1CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1286386723 GLXGLJXHASZHDL-WOJBJXKFSA-N 470.643 2.477 30 10 JEEE C#CCN(c1nnc(-c2ccccc2F)n1Cc1nccn1C(F)F)[C@@H]1CCS(=O)(=O)C1 1286387871 VQDILSNNOPTHRV-CQSZACIVSA-N 464.473 2.351 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1nc(C(F)(F)F)cs1)[C@H]1CCS(=O)(=O)C1 1286391168 GMWPVIZXPXRHCA-HNNXBMFYSA-N 496.540 2.414 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1CCc1ccc(OC)cc1OC)[C@H]1CCS(=O)(=O)C1 1286393902 LOQCJHZFDCISCU-IBGZPJMESA-N 460.600 2.363 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C)cc2OCCCOC)CC1 1286471640 PMRRDLWMFIUSQP-UHFFFAOYSA-N 480.613 2.041 30 10 JEEE C#CCSCCn1c(N2CCC[C@@H](N3CCCC3=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1286512673 MGSHEDCWCSHAJU-AUSIDOKSSA-N 461.632 2.276 30 10 JEEE C#CCSCCn1c(N2CCC[C@@H](Cn3nc(C)nc3C)C2)nnc1[C@]1(OCC)CCOC1 1286512722 NJJVVMJMMJWACN-OFNKIYASSA-N 473.647 2.422 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(CCNC(C)=O)Cc1ccsc1 1286552713 APMUTCVDVUYOFL-ZJOUEHCJSA-N 472.615 2.415 30 10 JEEE C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1286588394 DYIPFKAKPJLLPX-HSZRJFAPSA-N 454.531 2.353 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCN(S(C)(=O)=O)CC1 1286678003 NSEDWXWLLZCJEP-ROUUACIJSA-N 455.625 2.076 30 10 JEEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1286692637 KIWDHAXNCGXJFC-HXUWFJFHSA-N 485.614 2.264 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1nnn(C)n1 1286745629 YKHKRBKLAOQSOA-JOCHJYFZSA-N 456.526 2.222 30 10 JEEE C=CCN(CCc1ccco1)c1nnc(-c2cccnc2)n1CC1(O)CCS(=O)(=O)CC1 1286764484 QRBBLCFRWFQBNG-UHFFFAOYSA-N 457.556 2.108 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1286784710 RALDJBBHAMVMNV-UHFFFAOYSA-N 467.505 2.082 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1286793203 AFRQUBDFHHREQH-QZNHQXDQSA-N 487.693 2.104 30 10 JEEE CC(C)CC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1287545601 CTBMXXNYNKLAOH-QFIPXVFZSA-N 461.588 2.151 30 10 JEEE C[C@H](CC#N)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC1([S@](C)=O)CC1 1288529254 GYWFLLNMCLXSHR-BPJXYHRLSA-N 469.659 2.292 30 10 JEEE C#CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(CCC(N)=O)CC1 1300357565 QJUQTBAJACXOGR-UHFFFAOYSA-N 461.570 2.477 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@H]1N(C)CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1300499923 ZPDDYSKYHGQAQW-NHCUHLMSSA-N 470.643 2.011 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 1300501003 GKQPBZUJMPCVBH-HXUWFJFHSA-N 473.002 2.468 30 10 JEEE C#CCN(c1nnc(COCC)n1Cc1c(C)nn(Cc2ccccc2)c1C)[C@H]1CCS(=O)(=O)C1 1300504184 KKJPCLQAJXRCAZ-QFIPXVFZSA-N 496.637 2.351 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(Br)c2)n1CCC(=O)N1CCOCC1 1300559379 PHYVTXQREUZKBL-UHFFFAOYSA-N 470.371 2.419 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCOC2)n1C[C@H]1CCCN1S(C)(=O)=O 1300647241 CRHMKAWAXQKKCY-PZJWPPBQSA-N 475.590 2.375 30 10 JEEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN1CCCCCC1 1300664178 PDXBTHZTBXHOJX-UHFFFAOYSA-N 473.647 2.200 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@H](N2CCOCC2)C(F)(F)F)CC1 1300692523 IXHDSNSWUYHXNK-NRFANRHFSA-N 487.530 2.225 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CCNc2nccc(C(F)(F)F)n2)CC1 1300712126 MSPGDOCMJRORSS-UHFFFAOYSA-N 478.523 2.462 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)CC1 1300725815 DQWACCXCEGESDR-SFTDATJTSA-N 493.656 2.118 30 10 JEEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1300769870 LDERAPVTWRVZKJ-FDDCHVKYSA-N 453.568 2.479 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2C#N)CC1 1300870829 AIGPQRUBAMVUPP-DWLFOUALSA-N 499.641 2.068 30 10 JEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Oc1ccccc1)C1CC1 1301327870 ZIANDMNMXLFXHF-YLJYHZDGSA-N 461.588 2.233 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1301425306 UXELONDULZCCDF-RTBURBONSA-N 497.662 2.466 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1301485576 YOPXHQAYBGEHQE-SFHVURJKSA-N 481.376 2.102 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2nc(C(C)C)cs2)C1 1301557074 MHIAPJSCKUHJIE-SJLPKXTDSA-N 496.659 2.021 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@]2(C)CN(C)C2=O)C1 1301566623 AFXDAICFANEKKB-AIDSWVIKSA-N 474.606 2.308 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1301579119 NDIFFBNPGWHOSD-UHFFFAOYSA-N 476.603 2.246 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1Cc1ccc(NC(=O)N(C)C)cc1 1303833407 HDTCKVWXRALRAI-INIZCTEOSA-N 488.618 2.160 30 10 JEEE C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@@H](CCNC(=O)OC(C)(C)C)c3ccccc32)C1=O 1304063309 BZHYZAGFUVNUHV-OAHLLOKOSA-N 456.499 2.008 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1358877205 YSYQPTSYVPZZTQ-IAGOWNOFSA-N 453.572 2.075 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1CCCN(C(C)C)C(C)C)[C@H]1CCS(=O)(=O)C1 1358961464 ZOPWTPBFSNQSPE-NRFANRHFSA-N 458.632 2.476 30 10 JEEE C#CCN(c1nnc(COc2ccccc2OC)n1C[C@@]1(C)CCCO1)[C@@H]1CCS(=O)(=O)C1 1358967804 SLDOZQLZXFFVKU-WZONZLPQSA-N 474.583 2.062 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H](C)N1CCN(CC)CC1 1358973958 LZWOSNYROKHORG-HXUWFJFHSA-N 450.587 2.061 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc3cccnc23)n1CCN/C(O)=C1\N=CC=CC1=O 1359021176 FMLATDUGGQWTHQ-ZNTNEXAZSA-N 471.521 2.106 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H](c2cccs2)N(C)C)CC1 1359029981 LVTKYQZSLSLSLS-HYBUGGRVSA-N 472.659 2.438 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@H]2CCCSC2)CC1 1359036431 WMCZTCKCJNMHQY-VQTJNVASSA-N 490.674 2.485 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCc2n[nH]c(C)n2)CC1 1359047568 LSKGQGLGRYOKQG-UHFFFAOYSA-N 476.585 2.109 30 10 JEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](Oc2ccccc2)C1 1359049858 XGJOBWVDTAIKHA-MJGOQNOKSA-N 463.629 2.303 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1359089262 FVAAASZGQIYZII-VQTJNVASSA-N 468.606 2.131 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](OC)C(C)(C)C)CC1 1359179451 VQPPIQUTWUXICW-ROUUACIJSA-N 455.625 2.075 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CCC(N(C)C(C)=O)CC1 1359304849 LJDCMUZCIGVNNY-UHFFFAOYSA-N 454.575 2.169 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCN2CCN(C(C)=O)CC2)C1 1359315388 UBLRLMCFNFWMJS-NRFANRHFSA-N 490.555 2.492 30 10 JEEE CCn1c(CCC(=O)Nc2cnc(OC)c(C#N)c2)nc2cc(S(=O)(=O)N(C)C)ccc21 1439466683 ANBMLCZUAKWNNI-UHFFFAOYSA-N 456.528 2.153 30 10 JEEE CCCNC(=O)c1cccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(CC#N)CC2)c1 1501081767 FFUYWIKVIPOTCT-OAQYLSRUSA-N 484.626 2.498 30 10 JEEE Cn1cc(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@H](C(=O)NCC(F)(F)F)C2)cn1 1503657068 CHULAMYKGQOXKO-KRWDZBQOSA-N 458.448 2.103 30 10 JEEE C#CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](CC(N)=O)C1 1507567717 OGJMVUUICMKSKO-MOPGFXCFSA-N 474.606 2.482 30 10 JEEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1507594684 IKWWKCSUGNLHJV-UHFFFAOYSA-N 456.572 2.002 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(OC)c(Cl)c2)CC1 1507740007 WQLGHGXQNGJSQA-GOSISDBHSA-N 457.962 2.458 30 10 JEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cc(C)ccc2C)CC1 1507747147 VPLVVABUQJSYOG-LJQANCHMSA-N 476.672 2.198 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1C[C@@H](c1ccccc1)N1CCOCC1 1507760334 XVRVLBMEFUEOSZ-SQJMNOBHSA-N 450.587 2.482 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](COCC)C1 1507808094 SVSHXOUDCJQCAE-MKXGPGLRSA-N 455.625 2.122 30 10 JEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1507835634 IGMLZBIRFUTMLL-UHFFFAOYSA-N 469.546 2.342 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1508105039 OYGSIHQQXOHYME-VAMGGRTRSA-N 456.543 2.145 30 10 JEEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCC(F)(F)CC1 1508144694 XBMIVKGFECLJEY-UHFFFAOYSA-N 459.544 2.106 30 10 JEEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCCCC2)CCN1S(C)(=O)=O 1520765401 FIJCZTGHWZOWDP-IBGZPJMESA-N 471.631 2.163 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCCOCC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1539213167 WPJMXYSSVKWINB-QHCPKHFHSA-N 497.621 2.277 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1CCC(=O)N1CCCCCC1 1539260297 NANXNAUOIFIADH-UHFFFAOYSA-N 457.538 2.459 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccnc(OCC(F)(F)F)c1 1539324370 SYZYDMYYPYIMAB-KRWDZBQOSA-N 481.500 2.028 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(Br)cc2)n1CC1(C(N)=O)CCOCC1 1539399776 SNLPDTGRZYVUIA-UHFFFAOYSA-N 476.375 2.076 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc(OC)cc2F)CC1 1539430514 KPBHRWJGAAQKCK-DEOSSOPVSA-N 457.550 2.270 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCN2CCCC[C@@H]2CC)CC1 1539467236 PUYVRKQXANMTBW-NRFANRHFSA-N 492.628 2.156 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2CCn2cc([C@H]3CCOC3)cn2)CC1 1539468293 CNQMUGJFXKTNHY-QUCCMNQESA-N 453.591 2.158 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2Cc2cccc(C(=O)NCC)c2)CC1 1539475291 ARWAHADPVXMBFD-UHFFFAOYSA-N 471.565 2.104 30 10 JEEE C=C(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1539704641 GIBZAVKORUCYCC-CTNGQTDRSA-N 482.633 2.396 30 10 JEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 1539721597 CNYKCUOAORKMNY-UHFFFAOYSA-N 472.615 2.439 30 10 JEEE C=CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](COC)C1 1540004894 HWPSOZHPGZJTKC-ROUUACIJSA-N 451.568 2.404 30 10 JEEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(c2nccnc2C)CC1 1540853421 IHSOXKKXROMPKC-UHFFFAOYSA-N 452.950 2.473 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@@H]1[C@H]1CCCO1 1540864232 SUFHLZLNONVVMZ-NVXWUHKLSA-N 463.380 2.496 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(c2c(F)cccc2OC)CC1 1540868192 VRGRHCXRMCMBRE-UHFFFAOYSA-N 453.522 2.060 30 10 JEEE CC(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCN(C(C)=O)C2)C1 1541051584 CJLUSPCKDBECCM-VXKWHMMOSA-N 463.586 2.428 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1587599219 LKIKWSQAEALOCD-FUHWJXTLSA-N 461.588 2.234 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC=C(c2ccc(O)cc2)CC1 1587862354 VRDLHIVPKXGVJS-NRFANRHFSA-N 471.583 2.024 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1C[C@](C)(O)[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1588045215 HIWZLZKDAARVIL-CEXJFXJFSA-N 474.583 2.098 30 10 JEEE C#CCN(c1nnc(C2CCCC2)n1CCNC(=O)c1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1588053654 GSWFSYQQPOJQCB-OAQYLSRUSA-N 469.611 2.301 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C(C)(F)F)cc1 1588233747 PXLWAXMRHYGJRC-HXUWFJFHSA-N 491.564 2.234 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCN(C)Cc2ccc(F)cc2)CC1 1588865286 RRKSQWMLPXMBCH-UHFFFAOYSA-N 495.628 2.296 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(N(C)C)c1 1589662899 DLDUYDBWHUXYEG-HXUWFJFHSA-N 462.620 2.128 30 10 JEEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CCN(c2ncc(F)cn2)CC1 1595569380 GFYNPSZPNXSDND-UHFFFAOYSA-N 464.549 2.011 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N(C)C[C@@H]1COc2ccccc2O1 1595784066 BEUOIGYASXBABP-GOSISDBHSA-N 455.540 2.217 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCO[C@H](c2ccccc2F)C1 1595788986 MLAGDGVNZSUTGI-IBGZPJMESA-N 458.519 2.053 30 10 JEEE CC(C)SCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1611125617 DAWOUCKWQXPKCH-GOSISDBHSA-N 491.687 2.224 30 10 JEEE CCN(CC)C(=O)c1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)cc1 1615306448 BAJZTKBGJDCRGA-QGZVFWFLSA-N 487.630 2.159 30 10 JEEE CNS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCCN(c2ccccc2C#N)CC1 1618843485 CHJRBKMFQFLNEG-UHFFFAOYSA-N 457.604 2.073 30 10 JEEE COc1ncccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(C#N)cc1 1619474945 DIZRRKZXKXYCBL-IBGZPJMESA-N 452.540 2.140 30 10 JEEE CC#CC[C@@H](CO)NC(=O)[C@@H](CCSC)NS(=O)(=O)c1cc(Cl)ccc1Cl 1640795105 WYYIWWZZTCPWCM-DZGCQCFKSA-N 453.413 2.284 30 10 JEEE COc1ccc(CN([C@H]2CCS(=O)(=O)C2)S(=O)(=O)Cc2cc(C#N)ccc2F)cc1 1653562655 BMFFNONCERWHMS-SFHVURJKSA-N 452.529 2.225 30 10 JEEE C[C@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)N1CCN([C@@H](C#N)c2ccccc2)CC1 1657631789 BLHHYRANHMMCRM-GCJKJVERSA-N 455.584 2.146 30 10 JEEE N#Cc1ccc(S(=O)(=O)N2CCC(S(=O)(=O)N3CCCC3)CC2)c(C(F)(F)F)c1 1663022172 DSGZPVZBMGXBQX-UHFFFAOYSA-N 451.492 2.156 30 10 JEEE C#C[C@@H](NC(=O)NCc1cccc(-n2cc(CNC(=O)OC(C)(C)C)nn2)c1)[C@H]1CCCO1 1681593117 NMGMMSVAAHOMJQ-WOJBJXKFSA-N 454.531 2.272 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1Cc1cn(CCCC)nc1C)[C@H]1CCS(=O)(=O)C1 1689985846 CUDCPRUWEYYSJE-FQEVSTJZSA-N 469.615 2.264 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1689989730 IBTCQUBKLDHLQA-XRXFAXGQSA-N 477.675 2.165 30 10 JEEE C#CCN(c1nnc(CC)n1Cc1ccc(OCc2ccccn2)cc1)[C@@H]1CCS(=O)(=O)C1 1689991588 ACMYHKXDOKIDEY-OAQYLSRUSA-N 465.579 2.490 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1Cc1cccc(OCCN(C)C)c1 1690210760 KTDTYYHWTAEKRR-RUZDIDTESA-N 450.587 2.381 30 10 JEEE C=CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1690473751 GFMOAQSJLMETAP-KRWDZBQOSA-N 466.546 2.460 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1690663275 RGGUVEQSYLVGLZ-NVXWUHKLSA-N 477.656 2.447 30 10 JEEE C=CCNC(=O)Cn1c(N2C[C@@H](C)OC(C)(C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1690676758 CIUIVUBASHDLNO-ZACQAIPSSA-N 462.595 2.355 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCC(C)(C)C)C1 1690700440 SGORCNDPZWYNOQ-MSOLQXFVSA-N 455.625 2.219 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC(NC(C)=O)CC1 1690715773 UVKDPRWWZMWFRH-MRXNPFEDSA-N 479.578 2.263 30 10 JEEE CC(=O)N1CCN(CCn2c(COc3ccc(C#N)cc3)nnc2N(C)Cc2ccc(C)o2)CC1 1690870470 PXGMOYCIPNMODB-UHFFFAOYSA-N 477.569 2.431 30 10 JEEE CNC(=O)[C@@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCCO[C@H](C)C2)C1 1696926376 AWKMYHCLFQFMNS-IBVKSMDESA-N 495.628 2.192 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CC[C@@H](F)C2)c1 1705503701 BYUKJKOOXRAQMH-RYQLBKOJSA-N 476.578 2.083 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCC[C@@H](O)C2)c1 1705504189 PDKZLILPDZUGCZ-UYAOXDASSA-N 452.559 2.024 30 10 JEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)CCc1cnccn1 1705527313 ZIWOCDPBYLAHNW-UHFFFAOYSA-N 453.572 2.078 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@](C)(O)c1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 1705567407 XTKJESRVWWCZTE-GCJKJVERSA-N 473.986 2.461 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1cnc(C)s1 1705591738 WKMVNBFQSNRLHH-UHFFFAOYSA-N 468.608 2.472 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2cc(F)cc(OC)c2)CC1 1705648098 NOONSWUMOAHGGK-LJQANCHMSA-N 455.534 2.334 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2Cc2ccc(C[S@](C)=O)cc2)CC1 1705649795 FPXZTSAKEAZSGJ-DHUJRADRSA-N 490.633 2.157 30 10 JEEE C=C(Br)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCNC(=O)[C@H]1CC 1705688803 UYXXFNQLZWPPHL-HUUCEWRRSA-N 499.410 2.210 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CCC(OCC(N)=O)CC1 1705698140 PZQYHQZWMPCDFZ-AVRDEDQJSA-N 455.559 2.406 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1705709348 NUVGPSIXPDFQSK-AVRDEDQJSA-N 455.559 2.464 30 10 JEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1705830346 NJHDGMWNBFMTFX-MOPGFXCFSA-N 451.637 2.084 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@]1(O)CCN(C)C1 1705884535 QWSHVBVAMMNCJI-NTKDMRAZSA-N 478.638 2.098 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2OCC)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1705908219 KZQQROBRGSVBCM-UQBPGWFLSA-N 485.585 2.332 30 10 JEEE C=CCOc1ccc(Cn2c(CC)nnc2N2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)cc1 1705911925 UKOUMPLROGDZPL-UHFFFAOYSA-N 480.613 2.394 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 1705934077 ALWMZCXUWDNZIG-UHFFFAOYSA-N 459.620 2.386 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1705935373 PDPXCXLXYARKGI-UHFFFAOYSA-N 478.578 2.313 30 10 JEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(C(=O)NC)cc1 1705945451 LJHWKCSQFCJLMK-SFHVURJKSA-N 463.629 2.095 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCS(=O)(=O)CC1CC1 1722285341 VQXYQOZKXIVCOR-HNNXBMFYSA-N 463.991 2.144 30 10 JEEE C#CCCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCN(C(=O)COC)CC1 1722327748 SXXQKTLEXNLRCZ-UHFFFAOYSA-N 455.559 2.449 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CCC1CC(OCC)C1)[C@@H]1CCS(=O)(=O)C1 1722364354 FZEVEPBJSWMWHJ-VEDCXYSMSA-N 457.600 2.096 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCN(CC)C1CC1 1722382505 AJYLCKBWACVHBV-FQEVSTJZSA-N 456.591 2.144 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@@]2(O)CCO[C@H]2C)CC1 1722435323 GMQMCSMHTMNCMI-DFBJGRDBSA-N 469.586 2.036 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCCN2CCCC[C@H]2C)CC1 1722442126 XMNYUCQUMPSEBJ-HXUWFJFHSA-N 469.659 2.289 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2CCN2CC=CCC2)CC1 1722447250 KDVLXZYEUJXPQO-UHFFFAOYSA-N 468.552 2.375 30 10 JEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)CCC2CCCC2)CC1 1722458590 NZTIUBAYRRLWGD-LJQANCHMSA-N 458.632 2.215 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC(OCC(N)=O)CC1 1722496530 XTDZQNOVRZVXTF-UZUQRXQVSA-N 485.585 2.414 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc([C@@H](C)Oc2ccccc2F)n1CC1(O)CCS(=O)(=O)CC1 1723993549 DUNXQGYSPWZXLC-JKSUJKDBSA-N 465.551 2.235 30 10 JEEE Cc1cc(NC(=O)CN2CCN(c3nnc(-c4cccc(C#N)c4)n3CC(F)(F)F)CC2)no1 1724239931 HJLNRIKKQKHURC-UHFFFAOYSA-N 474.447 2.436 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC1(N2CCCC2)CCOCC1 1727198478 HKNFBCZKFTYEKF-JOCHJYFZSA-N 461.586 2.283 30 10 JEEE COCC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@H](CC(N)=O)C2)CCOCC1 1730518812 CGHWSZCPSHZCGU-HXUWFJFHSA-N 482.585 2.264 30 10 JEEE N#CCCN(CC1CC1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOc1ccc(Cl)cn1 1731187879 BOHDSNZCBJGEDV-MRXNPFEDSA-N 464.979 2.438 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2CC(=O)NCc2ccco2)c1 1740563565 VFTXGRWFGCZDOL-UHFFFAOYSA-N 457.494 2.239 30 10 JEEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1740580604 DHTFHTGSTSPSTL-UHFFFAOYSA-N 461.501 2.440 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2cccc(Cl)c2)n1Cc1ccn(C)n1)[C@@H]1CCS(=O)(=O)C1 1740617288 PAPFYHOQFROSTL-QFBILLFUSA-N 489.001 2.480 30 10 JEEE C#CCN(c1nnc(CC2CCCC2)n1CCCOC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1740624443 IUYPBLIAFKZOQN-FQEVSTJZSA-N 464.632 2.223 30 10 JEEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1CC(C)(C)CCOC)[C@H]1CCS(=O)(=O)C1 1740627068 XMZMEXUDNVVRIM-FQEVSTJZSA-N 484.626 2.206 30 10 JEEE C#CCN(c1nnc(COc2ccccc2OC)n1C[C@H]1CCSC1)[C@@H]1CCS(=O)(=O)C1 1740627751 KHGMKZLRMABHOQ-QZTJIDSGSA-N 476.624 2.246 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@]1(O)CCO[C@H]1C 1740668887 DBOFCBGDJPQNLN-BXKMTCNYSA-N 450.543 2.235 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2Cc2ccncc2Cl)CC1 1740702621 UGTDOAZLCHNRHO-INIZCTEOSA-N 460.966 2.065 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCc2ccccc2OC)CC1 1740705188 CNVMWGDCMDJZJL-NRFANRHFSA-N 451.571 2.389 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCS(=O)(=O)N(C)C 1740734757 CVKFIJISRATPNI-HTAPYJJXSA-N 480.635 2.234 30 10 JEEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1740742161 DZIGMUGJKHFMGY-SFHVURJKSA-N 463.428 2.192 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC(O)(C(F)(F)F)CC1 1740762761 GFACEQMGJBIQIU-YJBOKZPZSA-N 457.497 2.275 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C(C)C)C1 1740762835 WEFZAAPJDWIWNA-ZRNYENFQSA-N 467.636 2.075 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1740953248 ZPDXDLKMOKRGHI-HDMKZQKVSA-N 458.950 2.089 30 10 JEEE CC(C)NC(=O)c1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1C[C@@H](C)N1CCOCC1 1741648906 GWIQFKSZIPVVFF-LJQANCHMSA-N 463.586 2.302 30 10 JEEE C[C@@H]1CN(CCCn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](CC(N)=O)C2)CCCO1 1743335502 DGODLNNZXGRMPL-CTNGQTDRSA-N 465.602 2.409 30 10 JEEE CN(C[C@H]1CCCCO1)c1nnc(COc2ccc(C#N)cc2)n1CCCc1cnn(C)n1 1747843564 DWULROLXYCAQRT-OAQYLSRUSA-N 450.547 2.495 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccccc1CN1CC[C@H](O)C1 1748689386 BMAJALVPDKCNLB-PVSGBFIBSA-N 453.587 2.075 30 10 JEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCc1cccs1 1748718115 OLVFDENZDVCWEO-GOSISDBHSA-N 451.618 2.155 30 10 JEEE C#CCN(C)c1nnc(Cc2cccnc2)n1C[C@@H]1C[C@@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1748794179 XYZGGMLRYCPFID-HSALFYBXSA-N 452.559 2.358 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1CCN1CCOC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1748809923 QXSGNOBOFMVFCL-SJLPKXTDSA-N 496.008 2.085 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2ccc(OC)nc2)CC1 1748979019 TUVSWDWCYRJCPX-UHFFFAOYSA-N 456.348 2.243 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@@H](F)COC)CC1 1749015271 BCVKRVQQRUPYPA-HXUWFJFHSA-N 457.550 2.424 30 10 JEEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCN(c2ncc(F)cn2)CC1 1749043769 KNPIICVESIQJMT-UHFFFAOYSA-N 458.592 2.256 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccn2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1749127176 KFBVVRIUQMLEBW-VIZSFHNOSA-N 467.618 2.358 30 10 JEEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2ccc(F)cc2)C1 1749268502 BUMRKRAVAZMZQK-QZTJIDSGSA-N 485.969 2.081 30 10 JEEE C=CCn1c(N2CCN(CC(=O)N[C@@H]3CCC[C@@H](C)C3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1749646172 NROAWTMDAVLEKO-OTPAQWSUSA-N 474.650 2.322 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCN2C(=O)CC[C@H]2C1 1749651413 VEJFELQXTNJKLQ-MOPGFXCFSA-N 452.559 2.148 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 1749664016 DKEHHLWMMQVYPU-AWEZNQCLSA-N 484.420 2.269 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC[S@@](=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1760192984 QJNKQBKNEDDIKF-VXVSMWNASA-N 498.715 2.371 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnccn2)n1C[C@H]1CCCCS1(=O)=O 1760240753 AREMQHKVJRUVQL-LJQANCHMSA-N 454.531 2.481 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Br)s3)n2CC(=O)N(C)CC)CC1 1760267264 XPXNBQFTHWAGGV-UHFFFAOYSA-N 493.431 2.213 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)CC1 1760273073 HNHCTEWAXVFPOL-QUCCMNQESA-N 488.633 2.426 30 10 JEEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1760355385 IERILBDSBLWZPH-UHFFFAOYSA-N 456.639 2.266 30 10 JEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N(C)Cc1nc(O)c2ccccc2n1 1760360327 ZABLEBLLQDINHT-UHFFFAOYSA-N 451.531 2.278 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2sccc2C)CC1 1760402548 NAHHOWFBNFVMNS-QGZVFWFLSA-N 451.618 2.432 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C(F)(F)F)c1 1760464201 BTCDXODRHBBMJA-INIZCTEOSA-N 459.494 2.300 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(=O)N2CCCC2)n1C[C@@]1(O)CCO[C@@H]1C 1760475847 WXAMALLBMYUJQV-KOSHJBKYSA-N 455.559 2.255 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Oc1ccccc1F)C1CC1 1760477046 ODFHFOVBZLQIQL-UZLBHIALSA-N 479.578 2.372 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CCN(CC(C)C)C(=O)C1 1760519038 PWLVTIAMTPVUFM-UHFFFAOYSA-N 475.391 2.314 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(c2cc(C)nc(C(C)C)n2)CC1 1760520119 CTTDUBJHBIHVNK-UHFFFAOYSA-N 461.574 2.191 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1760531981 HOAHTINIUKNPBG-FQEVSTJZSA-N 468.602 2.188 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCC(F)(F)F)nc1 1761362502 COKCKSBZWCWKOW-ZFWWWQNUSA-N 472.493 2.303 30 10 JEEE Cc1nn(C)c(N2CCN(c3nnc(C(=O)NC(C)C)n3CC3CCCCC3)CC2)c1C#N 1762399905 GUMQWXAJOASTJM-UHFFFAOYSA-N 453.595 2.237 30 10 JEEE CN(C)C(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1768435399 APKITULNMDRHOZ-KRWDZBQOSA-N 477.491 2.190 30 10 JEEE C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)C(=O)[C@]1(O)COP(=O)(O)O 1848440273 UMDXSWFTRAIQMC-CXSFZGCWSA-N 472.446 2.013 30 10 JEEE in-vitro C=CCOC(=O)c1sc(NC(=O)CSc2nc(C)c(CC(=O)OC)c(O)n2)nc1C 1859435895 YRNBHBIOVIABFN-UHFFFAOYSA-N 452.514 2.045 30 10 JEEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccccc1[N+](=O)[O-] 1862740586 UVLKRNJYKUXHPH-GOSISDBHSA-N 454.395 2.217 30 10 JEEE CCN(CC)CCNC(=O)c1ccc(-n2nnc(C#N)c2NC(=O)COc2cccc(OC)c2)cc1 1870159859 UZKQQKZZXUTNPX-UHFFFAOYSA-N 491.552 2.237 30 10 JEEE CC(C)Cn1cc(OCC(=O)Nc2sc3c(c2C#N)CCC3)c(=O)cc1CN(C)CCO 1870324107 VLTCLFNVTBJXAL-UHFFFAOYSA-N 458.584 2.368 30 10 JEEE C=CCOc1cn(CCCN2CCOCC2)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870385096 HYIZCOLJGIDWEY-UHFFFAOYSA-N 482.625 2.466 30 10 JEEE C=CCN=c1nc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)[nH]c(=Nc2ccc(OC)c(OC)c2)[nH]1 1871540735 AQMDVDLBHIPQKC-UHFFFAOYSA-N 492.540 2.309 30 10 JEEE COC(=O)CSc1nnc([C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)n1/N=C/c1cccnc1 1874201210 VEIWBFBJPKCOMF-UPVZUOOXSA-N 466.523 2.350 30 10 JEEE CC(=O)NCc1nnc(SCC(=O)Nc2cccc(C)c2)n1/N=C/c1ccc(O)cc1O 1874431201 GFVASVDXKQVUMN-AUEPDCJTSA-N 454.512 2.247 30 10 JEEE COc1ccc(N2C[C@@H](c3nnc(S)n3/N=C/c3cc([N+](=O)[O-])c(O)cc3O)CC2=O)cc1 1874570972 QPNSCCXRUSLNQA-NLTBIBMSSA-N 470.467 2.298 30 10 JEEE C=C(CCNC(=O)OC(C)(C)C)CNS(=O)(=O)c1cc(C(=O)O)oc1Br 1888191604 ATTSYHXRGJZLEM-UHFFFAOYSA-N 453.311 2.490 30 10 JEEE C#CCOC1CN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)C1 1892082754 ROMXHFBKHNCJBV-MRXNPFEDSA-N 450.866 2.373 30 10 JEEE CO[C@@H](c1cncc(B2OC(C)(C)C(C)(C)O2)c1)[C@H](NC(=O)OCc1ccccc1)C(=O)O 1952694934 CCCDMCRNZYDUAK-OALUTQOASA-N 456.304 2.448 30 10 JEEE N#CC1CC(O)(CS(=O)(=O)C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)C1 2019017912 CIVLGZFVQHBPFE-KGNSGPCRSA-N 484.530 2.058 30 10 JEEE CC(C)(C)OC(=O)N1Cc2nncn2C[C@@H]1C(=O)N1CCC[C@H](B2OC(C)(C)C(C)(C)O2)C1 2180982504 HECXFNIOBBVFLP-JKSUJKDBSA-N 461.372 2.482 30 10 JEEE C[C@H](c1cc(B2OC(C)(C)C(C)(C)O2)cs1)N(C)C(=O)[C@@H](CO)NC(=O)OC(C)(C)C 2256614884 PWHPXRQNFIOLJW-UKRRQHHQSA-N 454.398 2.452 30 10 JEEE CN(Cc1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C 2256664603 FMRNUQJDYUVAOK-INIZCTEOSA-N 454.398 2.281 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](CO)[C@@H](NC(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2266993685 KUIAEASNKOAVLF-PBHICJAKSA-N 466.409 2.395 30 10 JEEE CC(C)(C)OC(=O)NCCO[C@H]1CCN(C(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267003473 POJHEJJGVPAOFN-INIZCTEOSA-N 450.341 2.335 30 10 JEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@@H]1COCCN1C(=O)OC(C)(C)C 2267006427 UBGSJRYIUZGWKC-OAHLLOKOSA-N 450.341 2.253 30 10 JEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O 2267130398 NYPJVIDZRDPEEB-JKSUJKDBSA-N 466.409 2.456 30 10 JEEE CCn1cc(C(=O)NCC(C)(C)CNC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2267177106 JMPMOOVEVHVDHD-UHFFFAOYSA-N 450.389 2.483 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@](O)(CCNC(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267499025 YFQHTXYTRGBHMF-JOCHJYFZSA-N 450.341 2.071 30 10 JEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](CNC(=O)C2(B3OC(C)(C)C(C)(C)O3)CC2)[C@H]1OC 2267502598 QDJUWHQAPSOOIM-ARFHVFGLSA-N 454.373 2.378 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)CC[C@@H]1CO 2267592365 MAGCDQADVAQTHQ-GDBMZVCRSA-N 466.409 2.395 30 10 JEEE CC1(NC(=O)OC(C)(C)C)CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2267704835 SWGGOEOFQTWSTL-UHFFFAOYSA-N 470.372 2.413 30 10 JEEE CN(Cc1sccc1B1OC(C)(C)C(C)(C)O1)C(=O)[C@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C 2268628684 LJTYJQGIFQHXDL-GDBMZVCRSA-N 466.409 2.376 30 10 JEEE COC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(OC)cc1B1OC(C)(C)C(C)(C)O1 2268668070 AREZPPFTEKRGNT-KRWDZBQOSA-N 450.341 2.473 30 10 JEEE CN(Cc1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(=O)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 2268722222 XEVPGSNIUNBCTC-JOCHJYFZSA-N 466.409 2.378 30 10 JEEE Cn1ncc(C(=O)NC[C@@H]2C[C@@H](NC(=O)OC(C)(C)C)C2(C)C)c1B1OC(C)(C)C(C)(C)O1 2281832695 QUMNNIFYOGGOIM-GOEBONIOSA-N 462.400 2.389 30 10 JEEE Cn1cc(C(=O)N[C@@]23CCC[C@@H]2N(C(=O)OC(C)(C)C)CC3)c(B2OC(C)(C)C(C)(C)O2)n1 2281965786 LRJKIYOOESBHTL-QMHKHESXSA-N 460.384 2.381 30 10 JEEE CCON(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nn(C)c1C)C1CN(C(=O)OC(C)(C)C)C1 2281980206 AIWJPEYYMXCOPD-UHFFFAOYSA-N 464.372 2.041 30 10 JEEE Cc1c(C(=O)N[C@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281989107 VNSWKLHUEMOHOS-HOTGVXAUSA-N 462.400 2.451 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H](C)C[C@@H](NC(=O)OC(C)(C)C)C1 2282005952 SCCOUVUEFGFFMZ-GDBMZVCRSA-N 462.400 2.403 30 10 JEEE CC(C)(C)OC(=O)NC1CCN(CCNC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)CC1 2282024725 FGSHPUJFWYJDOS-UHFFFAOYSA-N 480.440 2.161 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1[C@@H](NC(=O)c1ncc(B3OC(C)(C)C(C)(C)O3)cn1)C2 2282027937 XCORBUWWMITKFT-XIRDDKMYSA-N 458.368 2.294 30 10 JEEE C[C@H](NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)C1CCN(C(=O)OC(C)(C)C)CC1 2282029395 RJDVXMTWQKCJLU-HNNXBMFYSA-N 462.400 2.485 30 10 JEEE CC(C)(C)OC(=O)N1CCCC[C@@H]2[C@@H](NC(=O)c3ncc(B4OC(C)(C)C(C)(C)O4)cn3)[C@@H]21 2282031918 ZDRNGMILTARRIT-BRWVUGGUSA-N 458.368 2.294 30 10 JEEE Cn1cc(C(=O)N[C@@H]2C[C@H]3C[C@H]2CN(C(=O)OC(C)(C)C)C3)nc1B1OC(C)(C)C(C)(C)O1 2282036836 ODMWRBBEGVZXLH-OWCLPIDISA-N 460.384 2.095 30 10 JEEE Cn1cc(C(=O)N2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@@]3(C)C2)nc1B1OC(C)(C)C(C)(C)O1 2282062688 BUAVAKKEARTXAV-NPMXOYFQSA-N 460.384 2.048 30 10 JEEE CN(C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)[C@H](CNC(=O)OC(C)(C)C)C(F)(F)F 2282185614 JKTGHLXAPHQACL-CYBMUJFWSA-N 474.289 2.303 30 10 JEEE Cc1ccc(S(=O)(=O)N2C[C@H]3C(NC(=O)OC(C)(C)C)[C@@H]3C2)c(B2OC(C)(C)C(C)(C)O2)c1 2282308671 UVWDXIJQFBAEBW-HZPDHXFCSA-N 478.420 2.438 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2C(NS(=O)(=O)c3ccc(F)cc3B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2282495921 SZWPXSVTKJFLFH-HUUCEWRRSA-N 482.383 2.269 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(CC1CC1)C1CN(C(=O)OC(C)(C)C)C1 2282535614 QTRHIPCVFLRZEL-UHFFFAOYSA-N 460.384 2.191 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC2([C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)n1 2282554362 CKLYTOYILLDLBM-HNNXBMFYSA-N 460.384 2.239 30 10 JEEE Cn1ncc(C(=O)NC[C@@H]2CCCCN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2282565986 RMQUQIOFIGGAOF-INIZCTEOSA-N 462.400 2.486 30 10 JEEE Cc1nn(C)c(C(=O)N2C[C@@H]3C[C@H](C2)CN3C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2282584771 GHEPBLDQBBGMTE-CVEARBPZSA-N 460.384 2.109 30 10 JEEE Cn1cc(C(=O)NC[C@@H]2CCCCN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2282590241 YNACWWWIGOEDTP-INIZCTEOSA-N 462.400 2.486 30 10 JEEE C[C@@H]1CCN(Cc2ccccc2)CCN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282853115 YLHVKLRUJGHUNK-GOSISDBHSA-N 474.436 2.004 30 10 JEEE Cc1nnc(CSc2nnc(NC(=O)CSc3n[nH]c(N/N=C/c4ccncc4)n3)s2)o1 20837717 UCJHCBHLNHWEKK-NGYBGAFCSA-N 489.572 2.212 30 10 JEEE COCCSc1nnc(NC(=O)CSc2n[nH]c(N/N=C/c3ccccc3O)n2)s1 21040517 ZHTVXNWUWCQYQG-CAOOACKPSA-N 466.574 2.277 30 10 JEEE C=CCCOc1cccc(-c2nnc(CCC(=O)N3CCN(C(=O)OCC)CC3)c(O)n2)c1 34765867 BTUAYTYRGULSHJ-UHFFFAOYSA-N 455.515 2.432 30 10 JEEE N#CCC(=O)N1CCC(CNC(=O)[C@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)CC1 219528462 MJNPKNURBFOYAL-QFIPXVFZSA-N 458.518 2.162 30 10 JEEE C=CCNC(=O)c1cccc(S(=O)(=O)Nc2ccc(S(=O)(=O)C[C@H]3CCCO3)cc2)c1 520187476 OTCYKPRUBUCDRP-GOSISDBHSA-N 464.565 2.356 30 10 JEEE C=CCN(C(=O)Cn1cnc2c(cnn2C)c1=O)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 590614102 VFOGDTAMXJEPAF-UHFFFAOYSA-N 451.468 2.381 30 10 JEEE C#CCN(C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1CC)[C@H]1CCS(=O)(=O)C1 729331839 QRZYERFMBYLJNC-INIZCTEOSA-N 452.989 2.359 30 10 JEEE C=CCn1c(=C(C#N)C(=O)N[C@@H](C)c2ccccc2)sc(=Cc2cnn3ccccc23)c1=O 729671804 YKAKZQCDCRXNEL-KRWDZBQOSA-N 455.543 2.124 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)OCC(=O)N2CCN([C@H](C)c3ccccc3)CC2)ccc1F 914659174 KLRCBCVZPRZGEW-GOSISDBHSA-N 489.569 2.352 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H]2CC(=O)N(C)[C@@H]2c2ccc(F)c(F)c2)ccc1F 1133644845 OHNAYONXQVYETI-FXAWDEMLSA-N 467.469 2.270 30 10 JEEE N#Cc1cc(F)ccc1N1CCN(S(=O)(=O)[C@@H]2CCCN(C(=O)c3ccccc3)C2)CC1 1193800139 IDIMUVLAUJCHOK-OAQYLSRUSA-N 456.543 2.454 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCOC[C@H]1OC 1286295453 IYIDLHGEKKJCJV-ZSYWTGECSA-N 463.579 2.096 30 10 JEEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1286337859 XDQCVFLZRRFOLD-OAQYLSRUSA-N 488.390 2.274 30 10 JEEE C#CCN(c1nnc(CCCc2ccccc2)n1CCc1nnc(C)s1)[C@H]1CCS(=O)(=O)C1 1286392772 NRXJEEFTIUKQAD-FQEVSTJZSA-N 484.651 2.483 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1C[C@H](CC)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1286393588 QVXAYFHXPDIQBM-ROUUACIJSA-N 465.620 2.161 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@H]1CCN(CC(F)(F)F)C1)[C@@H]1CCS(=O)(=O)C1 1286394177 NTWRMGBIOTWQJY-DLBZAZTESA-N 475.581 2.378 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCc1nc(C)c(C)s1)[C@H]1CCS(=O)(=O)C1 1286397289 YWUADHJEGMAUSD-MSOLQXFVSA-N 463.629 2.115 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1CC1CCN(CC(F)(F)F)CC1)[C@@H]1CCS(=O)(=O)C1 1286398116 GNZAGVDNFKOBDZ-QZTJIDSGSA-N 489.564 2.031 30 10 JEEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1286422989 PDKWJDYVSRNHRR-KNQAVFIVSA-N 483.535 2.046 30 10 JEEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H]2CCCC[C@H]2C1 1286710633 BFYBQIGSHLSWBC-AABGKKOBSA-N 467.636 2.220 30 10 JEEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](CCN2CCCC2=O)c2ccccc21 1286768962 IWEZWKJOGHDXQJ-IRXDYDNUSA-N 458.588 2.322 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1286784205 YNBHDORPTVQHSO-UHFFFAOYSA-N 476.585 2.426 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1286792259 SCQLYJFIPPIOKL-UHFFFAOYSA-N 484.492 2.245 30 10 JEEE CN(CCNS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CCc1nc2c(s1)CCCC2 1298742146 GDXZSKYMORLXMH-UHFFFAOYSA-N 485.639 2.380 30 10 JEEE CO[C@@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2ccc(C#N)cn2)CC1)C(C)C 1299714161 FNZIDBBPXVDDMV-NRFANRHFSA-N 463.590 2.404 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(=O)NCC(F)F 1300302979 GUAXECDUTIWKQA-GJZGRUSLSA-N 454.522 2.232 30 10 JEEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1300345105 OTITVJZELKLDFN-JOCHJYFZSA-N 476.624 2.167 30 10 JEEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1CCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1300505020 XMHMXZDIICEDNI-NRFANRHFSA-N 482.610 2.306 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cn2nc(C)cc2C)n1C[C@@]1(O)CCO[C@@H]1C 1300649228 MNSRMYXVBZWDBW-DVECYGJZSA-N 452.534 2.459 30 10 JEEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1300751036 DGCKMLUNPSRZTC-UHFFFAOYSA-N 458.613 2.043 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 1301491161 FIBNVILGIXBSED-GOSISDBHSA-N 490.605 2.217 30 10 JEEE CCCN1CCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1313446666 DOQOZZJLNOPWOG-VXKWHMMOSA-N 451.575 2.032 30 10 JEEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCCC2(C)C)CCN1S(C)(=O)=O 1316494622 CYTVLCYAEHACIJ-SBUREZEXSA-N 472.615 2.228 30 10 JEEE N#Cc1ccc(OCc2nnc(N3CCOCC3)n2CCn2cc(Br)cn2)cc1 1316533206 HMTPICOSUDIOJA-UHFFFAOYSA-N 458.320 2.225 30 10 JEEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1CN(CC(C)C)CCO1 1358938308 XCJKMTAFUYGDOK-HXUWFJFHSA-N 458.994 2.288 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1cccc(CSC)c1)[C@@H]1CCS(=O)(=O)C1 1358964421 YVFQKINMJPPIGV-WOJBJXKFSA-N 460.625 2.320 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1CC1(O)CCN(C(C)C)CC1 1358973916 KGGUXITZLRHWQR-UHFFFAOYSA-N 451.571 2.270 30 10 JEEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ncccc1N(C)C 1358993354 KVPGXCUVYBBTRR-UHFFFAOYSA-N 469.597 2.424 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(C(=O)N(C)C)CCCC1 1359002895 QWUMXCSYHPVHII-UHFFFAOYSA-N 486.642 2.304 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC(=O)Nc2c(C)cccc2C)CC1 1359029559 AUFVKSGJZUCYGS-SANMLTNESA-N 480.613 2.329 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2Cc2ccc(OC(C)C)nc2)CC1 1359043343 QQKVDRSUKFRDQV-UHFFFAOYSA-N 461.570 2.480 30 10 JEEE C=C(C)COCCn1c(-c2cccc(C#N)c2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1359129704 KGXOVIWBCBYJMJ-IBGZPJMESA-N 463.586 2.199 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1359133235 NWOZWAZEOXRDRY-OAQYLSRUSA-N 457.623 2.437 30 10 JEEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1359135232 WQANCMCYSDDGTJ-OAQYLSRUSA-N 453.591 2.439 30 10 JEEE C=CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1359221548 GGPFHUBCUWJXEH-HKBOAZHASA-N 460.623 2.101 30 10 JEEE C=CCNC(=O)Cn1c(N(C)C[C@H]2CCCCO2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1359305630 JBMJMPLEZWKRCG-FGTMMUONSA-N 462.595 2.356 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2c(CC)nn(C)c2OC)C1 1359311472 BHJDKYVLNDCYOH-INIZCTEOSA-N 466.546 2.060 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCN([C@H](C)c2ccsc2)CC1 1359330826 DSQHINJLNFETQP-QGZVFWFLSA-N 473.628 2.281 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1359334603 LEXUWQTZWSJUPJ-IBGZPJMESA-N 491.614 2.352 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CC[C@@]2(CCOC2)C1 1359335941 ZMHOQROEHQXLAI-OAQYLSRUSA-N 450.536 2.214 30 10 JEEE C=CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1359339964 WUGHLQQDWWEYGJ-UHFFFAOYSA-N 481.644 2.353 30 10 JEEE C=CCSCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCN(C(C)=O)CC1 1359345862 SSAWZWLJXJDFHV-UHFFFAOYSA-N 483.686 2.231 30 10 JEEE CC(C)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCO[C@H]2C)[C@H](C)C1=O 1360017013 AKDPYYRLLVGPJY-NXMSCROESA-N 452.559 2.050 30 10 JEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@H](CCSC)NS(=O)(=O)c1ccccc1F 1452936525 PHBQOEABLFUHDW-INIZCTEOSA-N 458.577 2.029 30 10 JEEE CC(C)(C)NC(=O)CN1CCC(CNC(=O)CCC(=O)N(CCC#N)c2ccccc2)CC1 1465633964 GCEZPNHPNOQUEZ-UHFFFAOYSA-N 455.603 2.456 30 10 JEEE Cc1ccc(C(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)cc1B1OC(C)(C)C(C)(C)O1 1472444494 OGZOBOJXYVKQAS-PKOBYXMFSA-N 460.380 2.252 30 10 JEEE COc1cc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC[C@@](C)(C#N)C2)ccc1OCCO 1504086123 CFJFOMAFAWZRSV-VWLOTQADSA-N 491.552 2.483 30 10 JEEE COCCN1C[C@H](Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)[C@@H](C)CC#N)CC1=O 1504901703 GOQZOJIPORBVEA-UONOGXRCSA-N 464.368 2.269 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCCCS(C)(=O)=O 1507520605 PXOLRZOWBNZOMX-MRXNPFEDSA-N 480.660 2.219 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2CCNC(=O)C(C)C)c1 1507551559 YASYRFHJGKSLRW-LJQANCHMSA-N 452.559 2.001 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2CCNC(=O)c2ccco2)c1 1507551985 JAXWEMMOQOAHDL-LJQANCHMSA-N 462.510 2.209 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1ccc(OC)c(OC)c1OC)[C@@H]1CCS(=O)(=O)C1 1507632115 XAWABEHMSPAGPQ-LJQANCHMSA-N 497.577 2.041 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCc1csc(CC)n1)[C@H]1CCS(=O)(=O)C1 1507632529 MWMPHLGYVYBAFB-WMZOPIPTSA-N 463.629 2.060 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H](C)Oc1ccccc1OC)[C@@H]1CCS(=O)(=O)C1 1507637618 LJOOUYNKEYKYOW-WAOWUJCRSA-N 474.583 2.232 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2OC)n1CCn1cc([C@H]2CCOC2)cn1 1507645830 MCBOVQRFKQHRTK-IBGZPJMESA-N 460.538 2.436 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(OCC(F)(F)F)nc2)CC1 1507731413 IBGYNBUBBUHPFA-GOSISDBHSA-N 464.492 2.312 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(C)cc2OCC)CC1 1507737612 CREWZSZVDFQZLE-UHFFFAOYSA-N 461.570 2.400 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)C[C@H](C)C(=O)NC 1507798297 GWSUJMSWRGSKHK-YRNRMSPPSA-N 465.558 2.393 30 10 JEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(N3CCOCC3)c(F)c2)CC1 1507881565 OIDNIHXKNKGTHK-KRWDZBQOSA-N 478.594 2.069 30 10 JEEE C=CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1508065637 PQRLNRBCLWBYQP-HSZRJFAPSA-N 465.602 2.146 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCCN(C(=O)c2cccc(C)c2)CC1 1508141692 XPRXMKUUOGRPJG-UHFFFAOYSA-N 457.600 2.417 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N(C)C[C@@H]1CN(CC)c2ccccc2O1 1508141873 PNBJIQJHDRVNMM-VQTJNVASSA-N 489.642 2.497 30 10 JEEE CC(C)OC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC(F)(F)F)CCO1 1509846230 FPBAMIDCSOEDGK-SFHVURJKSA-N 496.490 2.037 30 10 JEEE COCC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)N2CCC[C@@H](C)C2)CC1 1518654395 HIEBSPODGSTLCI-RTWAWAEBSA-N 495.628 2.144 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H]2CCN(C(=O)CCc3ccccc3)C2)ccc1F 1535436977 HEBUOCAUADKOIV-IBGZPJMESA-N 459.543 2.254 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)c1nc(-c2ccccc2)no1 1539015431 QESBOGOJYUKSNL-RYRKJORJSA-N 454.556 2.492 30 10 JEEE C#CCCCn1c(N2CCN(C[C@@H](O)c3ccccc3)CC2)nnc1[C@@]1(OCC)CCOC1 1539139254 CFDFMDXGQGTSFF-RCZVLFRGSA-N 453.587 2.199 30 10 JEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCNC(=O)OC(C)(C)C 1539178628 JDWFWWKASWUVFI-INIZCTEOSA-N 464.567 2.181 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(Br)c2)n1CCn1cncn1 1539306902 MGHWTKMCAWDMTR-UHFFFAOYSA-N 454.332 2.471 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2cccc(C(=O)N[C@@H](C)CC)c2)CC1 1539429715 BVUNMFKRWIHOFA-KDYSTLNUSA-N 494.640 2.262 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@H](C)OC)CC1 1539474775 YHYKVRRUJGZQKJ-KRWDZBQOSA-N 455.559 2.353 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](O)(c2ccc(F)cc2)C1 1539614830 DEDBSVPAZVVAIM-OITUCODZSA-N 493.605 2.107 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(CCC(N)=O)CC1 1539644271 GIDPCMRCZHGPDL-WAGURGNTSA-N 461.607 2.465 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cc(C)cc(OC)c2)CC1 1539891113 YBLIRVSJZDAQHW-OAQYLSRUSA-N 475.615 2.379 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](O)CC2(CCCC2)C1 1539917297 SZEIZAXLAXKVAP-RTBURBONSA-N 481.663 2.345 30 10 JEEE CC(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(N(C)C)CCOCC2)C1 1541051540 BZSKQXRLNRYQFL-NRFANRHFSA-N 465.602 2.280 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@@H](C)Oc1ccccc1 1541675229 FCBFENJMVJEGLI-RTBURBONSA-N 489.584 2.261 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCNS(C)(=O)=O 1541991583 DWESMYJAYBQADI-KKSFZXQISA-N 481.623 2.029 30 10 JEEE CCN(CC)[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(=O)NC)C1 1547432998 FMKMBHSRRIVLNT-AZUAARDMSA-N 453.591 2.421 30 10 JEEE CNC(=O)[C@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CC12CCN(C(=O)c1nccn1C)CC2 1548378113 UEWMXFACYBNKRO-GOSISDBHSA-N 474.487 2.415 30 10 JEEE C#CCC1(O)CCN(C(=O)CCc2nc3c(c(O)nc(=O)n3CCCC)n2CCCC)CC1 1558102313 FPLBGZKHEKKZGZ-UHFFFAOYSA-N 457.575 2.208 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3noc4c3COCC4)n2C[C@](C)(O)CC)c1 1587690079 YUEVLLNPTIGPPF-XMMPIXPASA-N 464.526 2.223 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1588030293 SCGICSXAZZANMQ-PWRODBHTSA-N 488.610 2.077 30 10 JEEE C#CCN(c1nnc(-c2cccc3cccnc23)n1CCNC(=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1588045707 PDDABXMGBWUIFH-LJQANCHMSA-N 494.621 2.282 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1588069486 PBBSRRCVWBQKPV-CPJSRVTESA-N 497.621 2.297 30 10 JEEE C#CCN(CC)c1nnc(Cn2nc(C)cc2C)n1CCCN1CCN(c2ccncc2)CC1 1588446017 WBJRGGRGBMSYIE-UHFFFAOYSA-N 461.618 2.207 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccn(CC)c1=O 1588550048 GUDPSHDSMXYJAO-HXUWFJFHSA-N 483.569 2.189 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H](c2ccsc2)N(C)C)CC1 1588929810 HEHIVVIFHLQLIP-UYAOXDASSA-N 456.616 2.112 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2C[C@](C)(O)C2CC2)CC1 1588961871 PMZBDFJNAIGXSR-VWLOTQADSA-N 451.571 2.026 30 10 JEEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1588993172 FLMOUVLWMVZEMS-XMMPIXPASA-N 498.609 2.143 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1CCNC(=O)Cc1cccc(F)c1 1589142119 AYPSKWHYJGEWJZ-RUZDIDTESA-N 475.528 2.416 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H](C)OC)C1 1595728317 AWIFYIYVCLCUEP-RCCFBDPRSA-N 451.568 2.403 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1C[C@@H](C)O[C@H](c2ccsc2)C1 1595788921 KQMDKZUVPBYIIR-QAPCUYQASA-N 460.585 2.364 30 10 JEEE CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)N2CCC(C)CC2)CC1 1615937761 GQNRBNZUQJGBIV-NRFANRHFSA-N 478.645 2.195 30 10 JEEE N#Cc1cccc(NC(=O)N[C@@H]2[C@H]3CO[C@@H](O3)[C@H](N3CCC(Cc4ccccc4)CC3)[C@H]2O)c1 1616151443 BXTVZBSJMZAZID-LFCBLZOASA-N 462.550 2.488 30 10 JEEE CS[C@@H](C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1620190304 BOBXCWKMQMSPLF-INIZCTEOSA-N 463.571 2.270 30 10 JEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 1626331178 BMAJQFYSRDACOC-WBVHZDCISA-N 450.561 2.083 30 10 JEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]1C 1637388952 CGRBPWRJFVYJNP-HRCADAONSA-N 450.561 2.081 30 10 JEEE COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)NCCn1cc(C#N)c(O)nc1=O 1641029491 AOAZRJYGYSHFDC-UHFFFAOYSA-N 456.462 2.112 30 10 JEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2Cc3ccc(NC(=O)C(F)(F)F)cc3C2)c1 1645365137 QLRZXGHXZNSYSY-UHFFFAOYSA-N 451.426 2.255 30 10 JEEE N#Cc1cc(F)ccc1N1CCN(CC(=O)N2CCC(C(=O)N3CCCCCC3)CC2)CC1 1648066786 GSROGOFDDKLEEH-UHFFFAOYSA-N 455.578 2.461 30 10 JEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCNC(=O)C1 1663043449 GIYSTNGPAZQWQT-UHFFFAOYSA-N 454.449 2.450 30 10 JEEE C=CCCn1cc(CN2CCN(C(=O)c3ccccc3I)CC2)nn1 1663657496 PQSQNSOCOBMKSF-UHFFFAOYSA-N 451.312 2.417 30 10 JEEE C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 1666604427 RMAQZZNLLLDONT-NSHDSACASA-N 453.336 2.030 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccs2)c1 1689869041 ZDBNPAXWGVATCV-OAHLLOKOSA-N 472.596 2.054 30 10 JEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1689893004 RRGPITIUZYATDP-QRVBRYPASA-N 477.631 2.287 30 10 JEEE C#CCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1689913606 RJCRDGYBZXMTQA-SJLPKXTDSA-N 454.506 2.443 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CCOc1ccc(Cl)cn1)[C@@H]1CCS(=O)(=O)C1 1689994146 RXASHRMOBCUEMD-LJQANCHMSA-N 486.985 2.018 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H](C)N1CCC(C)CC1 1690006517 RHFVURYXGOOWLE-OAQYLSRUSA-N 482.654 2.389 30 10 JEEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2CCn2cc(Br)cn2)CC1 1690131083 TZLYNLCTDDRWQN-UHFFFAOYSA-N 468.403 2.478 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2Cc2ccc(N3CCOCC3)cc2)CC1 1690137391 XCNLJGBHRSDZEV-UHFFFAOYSA-N 450.587 2.252 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCCCN1CCC[C@H](C)C1 1690189967 HTQATFXOCJFZMR-CNNODRBYSA-N 450.653 2.393 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCN(CC(F)(F)F)CC1 1690250891 MSQZEMMRXCWJEQ-QFBILLFUSA-N 456.513 2.066 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCS(=O)(=O)C1 1690267283 YWXMJSVDJVLSDO-ZWKOTPCHSA-N 483.635 2.424 30 10 JEEE C=CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(NS(=O)(=O)CC)CC1 1690480644 MDZCOZOYENJCES-UHFFFAOYSA-N 485.614 2.066 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(Nc2ccccc2Cl)CC1 1690669489 HBASQHMOQYJIDR-SFHVURJKSA-N 457.966 2.266 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2cccc3[nH]ccc23)C1 1690687055 XYIUHKCIDVFDNF-AEFFLSMTSA-N 458.588 2.394 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1690727077 SVRDMSHYCJPOLU-NRFANRHFSA-N 465.664 2.160 30 10 JEEE C[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCNS(=O)(=O)Cc2ccon2)C1 1693662497 DGVCSIBAQDWCNL-INIZCTEOSA-N 455.544 2.161 30 10 JEEE C[C@H]1COCCN1CCn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1ncnn1CC(F)F 1693865150 CBDZDJVOECSRHQ-INIZCTEOSA-N 471.516 2.030 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cn3nc(C)cc3C)n2CC2([S@@](C)=O)CC2)c1 1705507482 CKQIKAGLNJNUGR-UUWRZZSWSA-N 479.610 2.107 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2CCn2ccnc2C)CC1 1705650452 RUTVSYJBIUYTKV-UHFFFAOYSA-N 461.570 2.048 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccccc2OC(F)F)CC1 1705769615 XQODYXHTVKMGFV-SFHVURJKSA-N 483.541 2.417 30 10 JEEE C=CCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC2(CC1)CNC(=O)C2 1705831870 FXFYHLLZFLPUFC-UHFFFAOYSA-N 450.543 2.428 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1705898296 HNQJTDGWLQTDMV-CXAGYDPISA-N 469.464 2.421 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCC(N2CCCC2=O)CC1 1705906847 QOHNNASKKUFMCE-UHFFFAOYSA-N 452.559 2.059 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1cc(C2CC2)ccc1F 1706870355 ALXSCYYBWGMDJN-RNODOKPDSA-N 450.515 2.395 30 10 JEEE Cc1ccc(S(=O)(=O)NCCn2c(Cc3cccnc3)nnc2N2CCC(C#N)CC2)s1 1707560397 BEDBPWNVOFXKAI-UHFFFAOYSA-N 471.612 2.352 30 10 JEEE CC[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1ccc(C#N)cc1)C1CC1)OC 1708796771 BLIQZPCPAHBCPL-NHCUHLMSSA-N 488.614 2.077 30 10 JEEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCOC2(CCCCCC2)C1 1711417894 DXOYVWMCSUOXKD-UHFFFAOYSA-N 458.588 2.296 30 10 JEEE COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)N2CCC(OC)CC2)CC1 1712102756 DWYRVDBHGONDMQ-UHFFFAOYSA-N 495.628 2.001 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2Br)n1CCCNS(=O)(=O)CC 1722287244 LEFWKXMUVZDAOC-AWEZNQCLSA-N 454.394 2.495 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H]1OCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1722359293 RORPZAZSKHAACG-JRGCBEDISA-N 485.610 2.199 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@H]1C[C@H](C)O[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1722359872 WRSPZYXOQKLPTQ-DMUMMCEESA-N 479.647 2.027 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H](CCC)OC)[C@@H]1CCS(=O)(=O)C1 1722363830 VYWVMQFVXHODIV-MOPGFXCFSA-N 474.583 2.158 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCc2ccc(Cl)cc2)CC1 1722449407 IZSYBEKFSJLPHY-UHFFFAOYSA-N 468.989 2.262 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cn4ccccc4n3)n2C[C@H](CCC)OC)CC1 1722449748 YGNXUXUKYNTJJQ-NRFANRHFSA-N 463.586 2.298 30 10 JEEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(F)cc2)CC1 1722478952 CVJDJJJVSGYXKE-AWEZNQCLSA-N 487.399 2.263 30 10 JEEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1722484408 IABVCJHYFJIIKB-CABCVRRESA-N 485.408 2.239 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(CCOC)C(=O)C1 1722491398 KUVYGCGKYYEKEK-NZQKXSOJSA-N 496.612 2.423 30 10 JEEE C=CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(NS(C)(=O)=O)CC1 1722616340 PQMVUFFICASYQL-SFHVURJKSA-N 498.650 2.071 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(CC2CCOCC2)CC1 1722691572 RQBZASVRFKFRCD-LJQANCHMSA-N 486.592 2.408 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCC[C@H](SC)C1 1722736960 NZSYXNJOWBLAGQ-BZSNNMDCSA-N 458.650 2.325 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1CCN/C(O)=C1\N=CC=CC1=O 1740537688 XVMNQCOEQUCDOY-RDCVWBNRSA-N 472.347 2.030 30 10 JEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1740581501 ZDAXKYSJSMXPSZ-ULQDDVLXSA-N 468.624 2.041 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC1(CC)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1740623084 NUCORWTWMWTJNO-LJQANCHMSA-N 457.600 2.482 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@H](c1ccco1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1740624355 FQAMRRRXVIOZTA-RTBURBONSA-N 488.639 2.156 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(OC)CCOC1 1740732157 TWXJENODGJODIR-DQMJNTIXSA-N 475.590 2.384 30 10 JEEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCc2nc(O)c(C#N)cc2C1 1740751099 XULAAZMUMDIQBP-GUYCJALGSA-N 475.347 2.446 30 10 JEEE C=C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCCCN2CCOCC2)CC1 1740820080 PVQPGLZNCJVGPM-UHFFFAOYSA-N 488.658 2.464 30 10 JEEE C=C1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CCCNS(=O)(=O)CC)CC1 1740823482 HBRPPSUIXQBXPN-UHFFFAOYSA-N 485.614 2.161 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCN(C(=O)NC)CC1 1740952213 XJZLTGHUBSQYHT-QGZVFWFLSA-N 490.008 2.452 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](c2cccc(F)c2)C1 1740964917 AYPSZQWCXFTISL-CUWPLCDZSA-N 459.522 2.021 30 10 JEEE C[C@@H]1CCC[C@]1(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1743031712 BXYFPQVORSDNTN-FHJLPGHOSA-N 472.615 2.133 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3OCC[C@H]3COC)n2CCC(C)(C)O)c1 1748698776 XVSKCMIFYOYWML-RXVVDRJESA-N 455.559 2.219 30 10 JEEE C#CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1748751014 SPWOUVBACKKSFR-IBGZPJMESA-N 494.662 2.324 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1ccnc(OC(F)F)c1)[C@H]1CCS(=O)(=O)C1 1748815315 OOEFDUJJOICALU-IRXDYDNUSA-N 481.525 2.191 30 10 JEEE C#CCN(CC)c1nnc(-c2cc(F)ccc2Br)n1CCC[C@@H]1NC(=O)NC1=O 1748914232 CIHIDAYZDXRPMW-HNNXBMFYSA-N 463.311 2.294 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2cc(OC)nc3ccccc23)CC1 1748978404 NUUFZGIISLMWGC-LJQANCHMSA-N 464.570 2.362 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC(C)(OC)C1 1749120925 JBVMYWMBNDZCMO-AZUAARDMSA-N 475.615 2.402 30 10 JEEE C=C(C)COCCn1c(N2CCC(C(=O)N3CCCC3)CC2)nnc1[C@]1(OCC)CCOC1 1749238924 DSPZJLMJXNGOPY-DEOSSOPVSA-N 461.607 2.362 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N(CCS(C)(=O)=O)C1CC1 1749664354 LDLGRSDQZZXFBE-UHFFFAOYSA-N 482.404 2.023 30 10 JEEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)CCCc1ccccn1 1749666067 FZDCAYWVVBHCGM-UHFFFAOYSA-N 458.526 2.360 30 10 JEEE Cc1cc([C@](C)(O)Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(S(C)(=O)=O)CC2)c(C)o1 1751386184 FGCVDNBQUIYHKA-HSZRJFAPSA-N 484.582 2.016 30 10 JEEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(CC(=O)Nc2cccc(C)c2C)CC1 1760144047 BFSCPUJIYRQNIT-UHFFFAOYSA-N 465.602 2.207 30 10 JEEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1CC1(N2CCOCC2)CCCCC1 1760177519 JZWVUXOEPOHNKK-UHFFFAOYSA-N 456.616 2.374 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCS(=O)(=O)CC=C 1760219229 YEIXBBZATFBVOZ-HXUWFJFHSA-N 489.642 2.456 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccccn2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1760241837 LOGDTERMULFHLP-FQEVSTJZSA-N 482.585 2.324 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)C(F)(F)F 1760295753 WCDWEAVJGQXPOO-KBXCAEBGSA-N 463.526 2.192 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1760314180 UHVJEUWKYITRTD-IRXDYDNUSA-N 486.539 2.292 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cc(F)ccc2OC)CC1 1760402840 WDUPRTVTGVWKBC-HXUWFJFHSA-N 479.578 2.209 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1760517579 QUJVVWRQSJBHSY-LJQANCHMSA-N 450.547 2.306 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CCN(c2nccnc2C)CC1 1760519815 QMHIYIFPKZYTMO-UHFFFAOYSA-N 497.401 2.435 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1760523478 ZMXALJZAUMCQQY-SJORKVTESA-N 472.594 2.110 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@@H](CC)C1 1760551033 RFDGSBMAOVTXND-QGZVFWFLSA-N 480.660 2.384 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1760552616 UWGUPOHSKDZTQM-UHFFFAOYSA-N 474.631 2.113 30 10 JEEE CC(C)Cc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@H](C(C)C)N1CCOCC1 1761035798 DNQRVIDIWDLPNG-QFIPXVFZSA-N 466.634 2.427 30 10 JEEE Cc1nccnc1CCn1c(CC(C)(C)C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1762374162 HLQLDDYAGYMYRQ-UHFFFAOYSA-N 462.606 2.448 30 10 JEEE CCN(CC)C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)c2cc[nH]n2)C1 1766666767 FXLYNKINICDFOZ-IBGZPJMESA-N 461.574 2.138 30 10 JEEE COc1cc(C)cc(Cn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@H](C#N)C2)c1 1768248953 FMNYYZVAMXEJJR-GOSISDBHSA-N 452.540 2.364 30 10 JEEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(OC(C)(C)C)nc2)CCO1 1769239636 ADLDFCUYNGTUNS-FQEVSTJZSA-N 475.553 2.389 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1CCN(c2ccccc2)CC1 1772564397 VXHCWZGMDSHMNK-HXUWFJFHSA-N 458.632 2.015 30 10 JEEE CCCCCCCCNC(=O)[C@@H](CC(N)=O)NC(=O)c1cccn(Cc2ccccc2)c1=O 1861295930 BLWRFSQCLYBILD-OAQYLSRUSA-N 454.571 2.347 30 10 JEEE CCOC(=O)c1ccc(N2C[C@H](C(=O)Nc3c(C#N)nnn3-c3cccc(OC)c3)CC2=O)cc1 1870151381 UVRIVTPZXYYLOK-MRXNPFEDSA-N 474.477 2.316 30 10 JEEE COc1cc(/C=N/n2c(COc3cc(F)ccc3F)nnc2SCC(N)=O)cc(OC)c1O 1874261855 VVSPTPOFMGZRKQ-KTZMUZOWSA-N 479.465 2.318 30 10 JEEE COc1cc(/C=N/n2c(SCCO)nnc2-c2ccco2)ccc1OCCN1CCOCC1 1874468912 DHNBQOQFDXJORB-XQNSMLJCSA-N 473.555 2.224 30 10 JEEE C=CCn1c(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc2c(NCCCO)ncnc21 1875228847 HBXDVZJGDUGTRT-UHFFFAOYSA-N 465.514 2.282 30 10 JEEE Cn1nc(C(=O)N[C@H]2C[C@@H]2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2255651466 WSDODUOGENXGPM-NEPJUHHUSA-N 454.764 2.016 30 10 JEEE CN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1)[C@@H](CNC(=O)OC(C)(C)C)C(F)(F)F 2267144005 QIGLIVWHOLPAME-LBPRGKRZSA-N 462.278 2.237 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CC(=O)NCc2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2268629415 WGFNGWRXJMWCOH-PBHICJAKSA-N 466.409 2.281 30 10 JEEE C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)ccc1F 2268634754 KDGQHVRXKMVBFZ-DYVFJYSZSA-N 452.332 2.015 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](Cc1ncns1)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2268723505 VLIUCMIMQDUKDE-NSHDSACASA-N 481.409 2.368 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)[C@@H]1C1CC1 2268724683 NWPYEMREPTWZEZ-KGLIPLIRSA-N 464.397 2.233 30 10 JEEE N#Cc1cc(Br)ccc1NS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2270531539 MSXLKTXNPBLERX-MRXNPFEDSA-N 482.312 2.442 30 10 JEEE C[C@H]1CN(C(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C[C@H](C)N(C(=O)OC(C)(C)C)C1 2282035005 PGNLESINGDHAOK-HOTGVXAUSA-N 462.400 2.437 30 10 JEEE C[C@H]1CN(C(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C[C@]1(C)CNC(=O)OC(C)(C)C 2282035736 YYPPOAHJEALMAX-WNSKOXEYSA-N 462.400 2.342 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1C[C@@H](C)N(C(=O)OC(C)(C)C)C1 2282067635 QYPRUKQLIMPELL-ZBFHGGJFSA-N 462.400 2.403 30 10 JEEE CC(C)(C)OC(=O)N1CC2(CCCN2S(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282348979 SDFPWCOIUZDBRR-UHFFFAOYSA-N 479.408 2.155 30 10 JEEE CC1(C)OB(c2cscc2S(=O)(=O)NC[C@@]2(O)CCCN(Cc3ccccc3)C2)OC1(C)C 2282413812 JWIQNHAVHBZLNE-QHCPKHFHSA-N 492.472 2.353 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](O)CN1C(=O)c1c(F)cccc1B1OC(C)(C)C(C)(C)O1 2282474847 GVQOAIQTDBEGHF-CABCVRRESA-N 464.343 2.225 30 10 JEEE Cc1nc(NC(=O)[C@H]2[C@@H](CNC(=O)OC(C)(C)C)C2(F)F)ncc1B1OC(C)(C)C(C)(C)O1 2283978056 XRLDFEGJENYKCE-TZMCWYRMSA-N 468.310 2.429 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1COC[C@H]1C(=O)N1CCc2cccc(B3OC(C)(C)C(C)(C)O3)c21 2284041756 QICDTTNEVMYIFH-AEFFLSMTSA-N 458.364 2.415 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1C(=O)N1CCc2ccc(B3OC(C)(C)C(C)(C)O3)cc21 2284044261 YBPIPHHRQAEUTQ-ZWKOTPCHSA-N 458.364 2.415 30 10 JEEE COC[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)N(C(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)C1 2289506888 MGAJSMXQIHZYBV-GJZGRUSLSA-N 481.424 2.444 30 10 JEEE C=CCN1C(=O)C(=NNc2nc3c(c(O)nc(=O)n3C)n2CC=C(C)Cl)c2ccccc21 2297450807 KAHJPHMOCXHUMP-UHFFFAOYSA-N 453.890 2.327 30 10 JEEE CC(C)(C)OC(=O)N[C@]1([C@@H](N)C#CC2(S(C)(=O)=O)CCC2)CCN(Cc2ccccc2)C1 2319392519 AYGQBWRMJXASNB-GBXCKJPGSA-N 461.628 2.454 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1[C@H]2CCC[C@H]2[C@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2334388778 LKZVWQNMTJGPSK-XJFOESAGSA-N 464.397 2.137 30 10 JEEE COc1[nH]c(=N[C@@H]2CCOC[C@H]2NC(=O)OCc2ccccc2)ccc1B1OC(C)(C)C(C)(C)O1 2339788089 KECVZBFJKIWWBR-WOJBJXKFSA-N 483.374 2.307 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@]2(NS(=O)(=O)Cc3ncsc3B3OC(C)(C)C(C)(C)O3)CC[C@H]1C2 2369644425 FWIFKEMGEBBBPZ-LHSJRXKWSA-N 499.464 2.404 30 10 JEEE CCNS(=O)(=O)c1ccc(NC(=O)CSc2n[nH]c(N/N=C/c3ccc(C)o3)n2)cc1 21080869 NOOPGNDZVQFYGF-VXLYETTFSA-N 463.545 2.181 30 10 JEEE C=CCn1c(=O)c2ccc(C(=O)NC(C)C)cc2n2c(=O)n(CC(=O)Nc3cc(C)ccc3C)nc12 64581532 NTPGAGHHRNOVNX-UHFFFAOYSA-N 488.548 2.391 30 10 JEEE Cc1nc(-c2c(C)c(C)nn(C)c2=O)sc1C(=O)N1CCCN(c2ncccc2C#N)CC1 108903976 KPRCJZDYRCCPTD-UHFFFAOYSA-N 463.567 2.448 30 10 JEEE CC(=O)c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(Cl)c(C#N)c3)CC2)cc1 515726695 MXXHQGBZLKIPBN-UHFFFAOYSA-N 467.956 2.109 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)NCc3cccc(NC(=O)CCN4CCOCC4)c3)cc2C1=O 614955822 FJJHNDSAHJMGCS-UHFFFAOYSA-N 476.533 2.059 30 10 JEEE CN(C)CC#CCNC(=O)[C@H](CCC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 757474431 JEKOAIACFFIEMV-QHCPKHFHSA-N 463.534 2.440 30 10 JEEE N#C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1)C(=O)c1ccc(Cn2cncn2)cc1 916948026 CGWFOCIHVJOVQT-JOCHJYFZSA-N 492.561 2.462 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CCCN(C)S(=O)(=O)CC 1286276924 ZTKDHQHGQXHYIA-ZDUSSCGKSA-N 457.398 2.165 30 10 JEEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1286337044 VCDJEOMLJBYBKJ-UHFFFAOYSA-N 454.497 2.099 30 10 JEEE C#CCN(c1nnc(-c2ccccc2F)n1CCCN1CCCO[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1286387298 PVUSAVYYJGHWQN-WOJBJXKFSA-N 489.617 2.212 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H]1CCCCC1(F)F)[C@@H]1CCS(=O)(=O)C1 1286390229 YTWUVUAYWZCLLG-JKSUJKDBSA-N 450.515 2.187 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1nccc(C(F)F)n1)[C@@H]1CCS(=O)(=O)C1 1286396500 VSOPEKSWNGIJOJ-CQSZACIVSA-N 452.531 2.269 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](CC)N1CCc2ccccc2C1 1286430879 KFCLCRQJFZPTCD-DNQXCXABSA-N 479.650 2.480 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CC2CCS(=O)(=O)CC2)CC1 1286484973 SLFKGIUZXFBKCX-UHFFFAOYSA-N 471.627 2.054 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCNC(=O)C(C)C)CC1 1286487976 JIRQOYSOPRMNRG-UHFFFAOYSA-N 488.539 2.285 30 10 JEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@](O)(Cc2cccc(Cl)c2)C1 1286495610 AYYPZGZHSJOZDR-IERDGZPVSA-N 498.074 2.092 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1286562940 BNPUQNDBINGMIJ-RDPSFJRHSA-N 474.650 2.367 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCN2C[C@@H](C)O[C@H](C)C2)CC1 1286663172 HUFXTPGDSZHPCG-QWFCFKBJSA-N 451.637 2.082 30 10 JEEE CC(C)COC(=O)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N(C)C)CC1 1287796990 IDIMGLGDBVTYOP-UHFFFAOYSA-N 483.573 2.122 30 10 JEEE CCN(CC)C(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](C(=O)NC)C1 1295311821 BMTMBQDSODATGS-HXUWFJFHSA-N 451.575 2.428 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1300484809 SCGICSXAZZANMQ-ACRUOGEOSA-N 488.610 2.077 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1300496905 WHRYEQHOEBDSDS-OTWHNJEPSA-N 495.646 2.054 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@H](C)SC)[C@@H]1CCS(=O)(=O)C1 1300503031 ADAHHHHEMDOBAJ-FUHWJXTLSA-N 459.597 2.107 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@]1(C)COCCO1 1300665801 OEKPQNNTOMOQGY-YADARESESA-N 477.606 2.284 30 10 JEEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2C[C@H](C(CC)CC)N2CCOCC2)CC1 1300703234 CEZZSEOONYPBMU-XMMPIXPASA-N 465.646 2.156 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1300875629 NUUHJEYLJXEWQK-GPQLQYNLSA-N 451.527 2.158 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2cc(Br)cn2C)n1CCNS(=O)(=O)CC 1300901095 LEYJRVDIJFZQPS-UHFFFAOYSA-N 459.414 2.388 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCN(CCN2[C@@H](C)CC[C@H]2C)CC1 1301491866 PIYOERMNSYMASB-OYRHEFFESA-N 481.645 2.251 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC2(CC1)Cc1ccccc1C2=O 1301568765 XTKKAMBQQOPVJH-UHFFFAOYSA-N 485.610 2.043 30 10 JEEE CCCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1306682237 DNVDHFSETJMNIT-SFHVURJKSA-N 459.620 2.019 30 10 JEEE CNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1314933519 CXTBWFHOKKLQKR-XDHUDOTRSA-N 452.559 2.363 30 10 JEEE CNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@@H]2CCCCO2)CC1 1315058619 CHWNZEYYRGENDS-IBGZPJMESA-N 453.547 2.149 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccccc1C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1358955418 LPGMJCYDYVSGOA-INIZCTEOSA-N 483.516 2.110 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1C[C@@H](C)CN1CCOCC1)[C@H]1CCS(=O)(=O)C1 1358958232 JWBHSNWOOBGFGN-RXVVDRJESA-N 492.045 2.194 30 10 JEEE C#CCN(c1nnc(COc2ccccc2OC)n1C[C@]1(C)CCCO1)[C@H]1CCS(=O)(=O)C1 1358967803 SLDOZQLZXFFVKU-MBSDFSHPSA-N 474.583 2.062 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2Cc2c(C)noc2C)CC1 1359028980 LIYIGAIAWDUCKQ-UHFFFAOYSA-N 467.961 2.270 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@H](C)NC(=O)OC(C)(C)C)CC1 1359044842 PVCIHLOPSWBXNK-IEBWSBKVSA-N 474.606 2.399 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1359090072 UKRVPYACLFUGNB-UFYCRDLUSA-N 458.607 2.140 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1359103638 QUIVUNDWFWHSKU-YADARESESA-N 486.592 2.188 30 10 JEEE C=C(C)Cn1c(N2CCC(CNC(=O)c3cnn(C)c3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1359125312 YCUUGXSELRLXFZ-DEOSSOPVSA-N 471.606 2.275 30 10 JEEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1359128026 HTLQROIHISGDHJ-QZTJIDSGSA-N 462.528 2.055 30 10 JEEE C=C(C)COCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(C(C)=O)C[C@H]1C 1359132127 ODRLXOHZLUBWAY-MRXNPFEDSA-N 451.531 2.244 30 10 JEEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](C(=O)OC)C1 1359152419 WNFPMVJAHYVTET-CABCVRRESA-N 455.943 2.338 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCN(c2cc(F)ccc2F)CC1 1359334022 QTIRKKZPILBFGP-UHFFFAOYSA-N 488.564 2.470 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCc1cccs1 1360237411 DQGOHPIXPMEJFZ-UHFFFAOYSA-N 450.572 2.314 30 10 JEEE C#CCNS(=O)(=O)N1CCN(Cc2cn(-c3ccccc3Cl)nc2C(C)(C)C)CC1 1462536544 SLVPOTBMSXFDFT-UHFFFAOYSA-N 450.008 2.408 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)cc2OC)n1CCCN1CCC[C@H]1C(=O)N(C)C 1507524553 VJLFVMKMVUQIEH-NQIIRXRSSA-N 468.602 2.363 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1507643364 LULDQUDEKWFKPF-MRXNPFEDSA-N 485.308 2.372 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)Oc1ccccc1OC 1507669669 PDJKAEQWPPPPQE-RBUKOAKNSA-N 456.568 2.119 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCOCc2ccccc2)CC1 1507733963 PFURNCBCVRNITM-UHFFFAOYSA-N 487.564 2.108 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2C[C@H](C)CN2CCN(CC)CC2)CC1 1507740189 PROUHHMDCGUCEX-OAQYLSRUSA-N 497.713 2.170 30 10 JEEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@H](OC)C1 1507747284 GKFSMJAAQNOVKB-GOSISDBHSA-N 463.629 2.177 30 10 JEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1507753746 RCSBGUQJLSBTLM-KRWDZBQOSA-N 462.620 2.213 30 10 JEEE C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1C1CCC1 1507783360 CLXAYDAWIDCLTM-HOTGVXAUSA-N 474.425 2.289 30 10 JEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)Cc1ccc(OC)cc1 1508059691 YYJUJQCYVQWKBI-FXAWDEMLSA-N 463.604 2.121 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(C(C)(C)C)CC1 1508075850 ZWFQOOUUBXBOQV-UHFFFAOYSA-N 472.590 2.194 30 10 JEEE CC(C)NS(=O)(=O)CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCO[C@H](C#N)C1 1509787193 ANSFJFSEZUKPFW-MRXNPFEDSA-N 485.035 2.280 30 10 JEEE CCCS(=O)(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC2(O)CCC2)CC1 1515234075 HIWPGVSRWHIMKR-UHFFFAOYSA-N 472.615 2.420 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(CC)CC2)c1 1539037965 JRGGPEXZLRLRND-MRXNPFEDSA-N 458.588 2.135 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CCC2CCOCC2)c1 1539038067 KXAJDMSJXXSQMH-UHFFFAOYSA-N 452.559 2.289 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@@H](C)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1539220173 QEMBEPIVOGNTAO-NQIIRXRSSA-N 461.607 2.365 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1Cc1c(CC)nn(C)c1OC)[C@@H]1CCS(=O)(=O)C1 1539229663 GJSSTSXIUOQHHM-HXUWFJFHSA-N 496.637 2.043 30 10 JEEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1C[C@@H](F)COC)[C@@H]1CCS(=O)(=O)C1 1539230324 LTWJLJLLEVIZRX-RTBURBONSA-N 464.563 2.085 30 10 JEEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(CN2CCO[C@H](C)C2)c1 1539337907 ODQOQJBVLYKWHQ-HXUWFJFHSA-N 450.587 2.243 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2cccc(C(=O)N[C@@H](C)CC)c2)CC1 1539429708 BVUNMFKRWIHOFA-IDISGSTGSA-N 494.640 2.262 30 10 JEEE C#CCSCCn1c(COc2ccc(C)cc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1539527183 WMHYDUUZMRHAJJ-JOCHJYFZSA-N 482.654 2.275 30 10 JEEE C=CCC(C)(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1539903565 ZXBDEGYVZWFHIQ-WMZOPIPTSA-N 470.549 2.307 30 10 JEEE C=CCN1CC[C@@H](N(C)C(=O)C2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)C1=O 1539965243 YFKKDNXWGUPYKB-JOCHJYFZSA-N 455.580 2.486 30 10 JEEE C=CCCOCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1540019181 CWIFAJMLVJIRIA-SFHVURJKSA-N 474.949 2.095 30 10 JEEE C=CCCOCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1540019607 BOQUSWIERDHZSR-CQSZACIVSA-N 458.382 2.252 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CC2CCN(CC(F)(F)F)CC2)C1 1540894563 AKSVTJYGUNYHFE-SFHVURJKSA-N 470.540 2.456 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(C)(C)CC1 1540902050 YPVKYAITEHNUJN-UHFFFAOYSA-N 480.660 2.465 30 10 JEEE CC(C)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCn2ccnn2)[C@@H](C)C1=O 1541566602 CYHJWOAUGYZQID-IBGZPJMESA-N 477.573 2.104 30 10 JEEE CCc1cnc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@@H](CNC(C)=O)C2)s1 1546349990 FGEYZMJQRYSWJA-SFHVURJKSA-N 451.556 2.225 30 10 JEEE CC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCN2CCCO)CCO1 1546769149 ADJNIMKIFFFPNV-RTWAWAEBSA-N 454.575 2.191 30 10 JEEE CCS(=O)(=O)N(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)OC(C)(C)C1 1548326107 COKJYSFXXZUDEH-QGZVFWFLSA-N 460.604 2.492 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OCC)CCOC3)n2Cc2cnccc2OC)c1 1587689989 VVAGTSOOOPUZTF-SANMLTNESA-N 490.564 2.438 30 10 JEEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)Nc2cccc(C)c2C)CC1 1587851044 BQPAQVHYPARRFX-NRFANRHFSA-N 463.586 2.020 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1CCc1cccc(C(=O)N(C)C)c1)[C@H]1CCS(=O)(=O)C1 1588030688 ZSHCZNDTEHYGDH-NQIIRXRSSA-N 471.627 2.363 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1CC1(N(C)C)CCC1)[C@H]1CCS(=O)(=O)C1 1588039651 BHWBMLBYJUYWGZ-SFHVURJKSA-N 487.626 2.073 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2Cl)n1CC1(O)CCOCC1)[C@H]1CCS(=O)(=O)C1 1588041148 VIONRFOUXPFVCQ-INIZCTEOSA-N 499.420 2.420 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(O)CCN(C(C)C)CC1 1588399940 UIKXFUHOAXMWFE-FQEVSTJZSA-N 490.649 2.281 30 10 JEEE C#CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1CCO[C@H](C)C1 1588581253 LXMGRHMSDGZLMK-MJGOQNOKSA-N 474.631 2.448 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2Cl)n1CCNC(=O)c1cc[nH]n1 1588605007 WCPMGPYKSAFKIP-UHFFFAOYSA-N 462.341 2.491 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H](OC)C2CC2)CC1 1588732755 FWRKGFXTYWEHAO-HXUWFJFHSA-N 456.978 2.042 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C)c(C)c2)CC1 1589070107 QMSILDCYMZCUIQ-FQEVSTJZSA-N 473.668 2.490 30 10 JEEE C=C(Br)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1589443620 VFUDOFAKGIIPSD-ZDUSSCGKSA-N 483.392 2.455 30 10 JEEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1ccco1 1593746418 DSFFHAMQQDYTJF-IEBWSBKVSA-N 465.576 2.138 30 10 JEEE C=CC1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCCN2CCC[C@H]2C(=O)N(C)C)CC1 1594202467 QWGAVGNLIQQEJS-OFVILXPXSA-N 474.650 2.275 30 10 JEEE C=CCn1c(CSc2ccccc2OC)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1595453325 ULHQEECNVSUZQN-UHFFFAOYSA-N 470.599 2.036 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@](C)(O)C(C)C)C1 1595687658 BSJLANCGXGSGRI-XXBNENTESA-N 477.631 2.384 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCN([C@H](C)c2nccs2)CC1 1595812545 XVJYIOWGAOKEEB-GOSISDBHSA-N 487.655 2.204 30 10 JEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCCN(c4ccncc4)CC3)CC2)cc1 1611480970 AZMSORKZOGOHBT-UHFFFAOYSA-N 453.568 2.093 30 10 JEEE C[C@H](CN1CCOCC1)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1cccc(C#N)c1 1611618686 ATEOCVZDTNZVGK-LJQANCHMSA-N 474.569 2.402 30 10 JEEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCCN(C)C(=O)OC(C)(C)C 1614023631 DJEZMOPAYRRKQX-UHFFFAOYSA-N 471.610 2.338 30 10 JEEE CCn1cccc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(S(=O)(=O)CC)CC2)c1=O 1615727000 ALPQXVXMADGZLE-UHFFFAOYSA-N 480.594 2.450 30 10 JEEE CN(C[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@](C)(O)c2ccco2)C1)S(C)(=O)=O 1618101600 GRKKGCMOFMVMSO-CYFREDJKSA-N 498.609 2.425 30 10 JEEE COC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(Cc2cscn2)CC1)OC 1619595813 BKOONCBJCPHFJF-HXUWFJFHSA-N 453.572 2.257 30 10 JEEE CC[C@@H](NS(=O)(=O)c1ccc(C#N)c(Br)c1)c1cccc(S(N)(=O)=O)c1 1621764935 DQPFHDOHYPUSAS-MRXNPFEDSA-N 458.359 2.398 30 10 JEEE C#CCOc1ccc(F)cc1NC(=O)N1CCN(C(=O)c2cccc(S(C)(=O)=O)c2)CC1 1623169506 YWJROCLHHSSUEC-UHFFFAOYSA-N 459.499 2.231 30 10 JEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2C[C@@H](CC(=O)N(C)C)c3cc(Cl)ccc32)cc1 1629666174 KFOXWILQKWROTG-MRXNPFEDSA-N 459.955 2.474 30 10 JEEE C=C(C)CN1CCC(NC(=O)c2ccc(I)cc2-n2cnnn2)CC1 1632863129 OWZZYZDWQIYFCY-UHFFFAOYSA-N 452.300 2.037 30 10 JEEE C#CCN1CCN(C(=O)CN2CCC[C@H]2c2nc(-c3ccccc3Br)no2)CC1 1642743570 FPZCEUQATYFGRU-SFHVURJKSA-N 458.360 2.413 30 10 JEEE C#C[C@H]1CCCCN1CC(=O)NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S 1656425922 FAPOIAAXJVKRGX-QUYZQLMHSA-N 457.577 2.220 30 10 JEEE C#CCN(C(=O)Nc1ccc(OCC(=O)N(CC)CC)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 1657927182 FMHPQZJTEXCMQZ-INIZCTEOSA-N 455.964 2.241 30 10 JEEE C#C[C@@H](NS(=O)(=O)c1cccc(S(=O)(=O)N(C)C)c1)c1ccc(Br)cc1 1662182520 WWVWOEWRMBRUMP-QGZVFWFLSA-N 457.371 2.352 30 10 JEEE N#CCCn1ccc(NC(=O)N2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)n1 1674715441 AZTGGEPZMZWHOM-UHFFFAOYSA-N 456.450 2.354 30 10 JEEE C#CCN(c1nnc(CSc2ccc(C)cc2)n1C[C@@]1(C)COCCO1)[C@@H]1CCS(=O)(=O)C1 1689996310 GYJPSWSTPYZHDN-XXBNENTESA-N 490.651 2.311 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H](CC)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1689998481 NHAYWWANCLUVQP-KZNAEPCWSA-N 481.619 2.060 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Cl)n2CC(C)(C)C(=O)NC)CC1 1690140337 VHNKIKQBELUVTQ-UHFFFAOYSA-N 456.978 2.337 30 10 JEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](C(=O)N(C)c2ccccc2)C1 1690170514 LJUCDUIXLAYBOD-MJGOQNOKSA-N 452.584 2.085 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C 1690190307 QVIRZNLPZZTYRW-GSHUGGBRSA-N 482.651 2.383 30 10 JEEE C=C(C)COCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1690312680 AKPZMDMRALTYSW-PXNSSMCTSA-N 462.572 2.397 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2(COC)CCCCC2)CC1 1690375697 RDQRIUUXRBTFQQ-LJQANCHMSA-N 467.636 2.364 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)NCC(F)(F)F 1690596785 AANUFKAQNUSETO-OAHLLOKOSA-N 488.511 2.443 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCC(S(=O)(=O)c2ccccc2)CC1 1690668559 ADGBIJPFIDEYCN-UHFFFAOYSA-N 480.594 2.393 30 10 JEEE C=CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(NS(C)(=O)=O)CC1 1690747061 SAWXRCBQMNRTNR-LJQANCHMSA-N 479.628 2.228 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@H]1CCCC1(C)C 1692793328 BDXDPWPRMDHOLT-IEBWSBKVSA-N 486.646 2.308 30 10 JEEE CCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1694737982 CKLJDDNZKZBWHY-OALUTQOASA-N 452.607 2.322 30 10 JEEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1705543794 SWDJPXMJSYXZRQ-UHFFFAOYSA-N 470.599 2.392 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1[C@@H]1C[C@H]1CF)[C@@H]1CCS(=O)(=O)C1 1705560891 LULMSIKOFBBBCJ-NJZAAPMLSA-N 456.341 2.193 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@](C)(O)c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1705566934 RWXVOPRVCWUGQM-RDPSFJRHSA-N 483.569 2.322 30 10 JEEE C#CCN(CC#CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCc1cn[nH]c1 1705600664 HSOALVWLAKWQIE-UHFFFAOYSA-N 456.598 2.072 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(Br)cs1 1705628580 KWXPXELHOCHVIZ-ZDUSSCGKSA-N 473.418 2.139 30 10 JEEE C=CCCOCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1705825436 SZQCAHGQSVTCQZ-XMMPIXPASA-N 452.559 2.456 30 10 JEEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CC(=O)N(c2ccccc2)C1 1705880228 YUAGFYBMDCKUES-LJQANCHMSA-N 452.559 2.206 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 1705933352 DFBMRKGVBVKSIG-UHFFFAOYSA-N 483.594 2.339 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(CC)[C@@H](C)C1 1705933775 RIYDOUZDBWVWNY-KRWDZBQOSA-N 463.604 2.094 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC(Oc2ccc(OC)cc2)CC1 1705935864 FLDGNBHQZOVFKS-SFHVURJKSA-N 476.599 2.439 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1ccccc1Cl 1706074707 COTSABYVCJWALK-STXHMFSFSA-N 451.980 2.337 30 10 JEEE Cc1ccc(S(=O)(=O)NCCn2c([C@@H]3CCC(=O)N3)nnc2N(C)Cc2ccc(C#N)cc2)s1 1707560493 DIMFGSOHTHFCJR-SFHVURJKSA-N 499.622 2.086 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1cc(Br)cs1)[C@H]1CCS(=O)(=O)C1 1722363275 ZUVWKWQITKGPGI-HNNXBMFYSA-N 495.428 2.178 30 10 JEEE C#CCN(c1nnc(C2CCC2)n1Cc1cccc(Br)n1)[C@H]1CCS(=O)(=O)C1 1722368374 QRUVPVPDPZNZGC-INIZCTEOSA-N 464.389 2.378 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H](OC)C1CC1 1722389354 IFBQVEMADDJTFX-OAQYLSRUSA-N 455.584 2.083 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnccn3)n2C[C@H]2N(C)CCCC2(C)C)n1 1722427997 PLIGDRZWVINPMU-JOCHJYFZSA-N 477.617 2.338 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@H]2CCCN2CC)CC1 1722442756 BHKNEJORMOYQEV-NRFANRHFSA-N 450.587 2.404 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(N(C)C)CCOCC1 1722656929 LUJBQFRPQQCGEX-JOCHJYFZSA-N 498.653 2.355 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(OC)cc2OC)C1 1722719726 YZFDUUMDHANKTA-IEBWSBKVSA-N 462.572 2.027 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 1722725498 MPBMKMOLIJZDRS-GOSISDBHSA-N 476.647 2.263 30 10 JEEE CC(=O)NC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCCC2(C)C)CCO1 1722847404 BIGZSVNEFGYVQY-PXDATVDWSA-N 482.585 2.011 30 10 JEEE CC[C@H](C)NC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1727102958 DDJVAIUTRMOPGZ-XHNVNVPESA-N 482.585 2.418 30 10 JEEE CCC[C@@](C)(O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1727898983 DDQVTNAWEPBYDW-MZNJEOGPSA-N 483.621 2.124 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCc1ccccn1)[C@@H]1CCS(=O)(=O)C1 1740615679 IWJWYDYHHZSWML-JOCHJYFZSA-N 492.605 2.412 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1CCCN1C[C@H](C)C[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1740621787 PCUJXNHASJCNRS-NJYVYQBISA-N 472.659 2.278 30 10 JEEE C#CCN(CC#CC)c1nnc(Cc2ccncc2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1740654117 DMOGIQPLWZQEDL-FQEVSTJZSA-N 460.504 2.380 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H]2CC=CCO2)CC1 1740702437 OVGVKLDANXIYFH-NRFANRHFSA-N 496.999 2.172 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC[C@H](S(C)(=O)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1740767465 OYHQPMXFAUZVRO-QTDGGUCWSA-N 482.647 2.313 30 10 JEEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC2(CC1)C(F)(F)C21CC1 1740787255 FIURNZINGBPNRN-OAHLLOKOSA-N 459.563 2.497 30 10 JEEE C=CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCN(CCOC)C(=O)C1 1740871034 ODDPOFCTQYTTQP-UHFFFAOYSA-N 451.369 2.307 30 10 JEEE C=CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1740879314 JUAVEIQHHDICLR-HSZRJFAPSA-N 462.602 2.455 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1740953247 ZPDXDLKMOKRGHI-DAYGRLMNSA-N 458.950 2.089 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(CC(=O)N(C)C2CCCCC2)CC1 1740955902 DCQBDQJLLFDRKE-UHFFFAOYSA-N 483.617 2.062 30 10 JEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1740962100 SHAJYYQKPHVWIM-UHFFFAOYSA-N 459.620 2.019 30 10 JEEE C=CCOc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCN(C(=O)OCC)CC2)cc1 1740967537 JRNKWHLZVKRWMG-IBGZPJMESA-N 489.598 2.072 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCCS(C)(=O)=O)C1 1740969916 CMBUOLWRLVHDPJ-LJQANCHMSA-N 461.588 2.363 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1Cc1ccnc(OCC(F)(F)F)c1 1741904099 IEKGEIVKPKDULK-OLZOCXBDSA-N 475.497 2.011 30 10 JEEE CCc1noc([C@H](C)N2CCN(c3nnc(-c4ccc(C#N)cc4)n3CCC(=O)N(C)C)CC2)n1 1744733971 AWWOAFCISCARGH-KRWDZBQOSA-N 477.573 2.124 30 10 JEEE C#CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@H](C(=O)NCCC)C1 1748706831 TWUPPWYULUQREY-FQEVSTJZSA-N 461.574 2.467 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCCOc1ccccc1C)[C@@H]1CCS(=O)(=O)C1 1748812750 ZRBZOTJFQNKFCL-HXUWFJFHSA-N 468.583 2.083 30 10 JEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1748845948 CHYJAIQXGFPKIU-LJQANCHMSA-N 486.546 2.409 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H](C)c1ccccc1 1748891643 BZKLLKIMLOLLGH-RBBKRZOGSA-N 469.611 2.268 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C(C)C)N1CCOCC1 1748944619 ANKCSYWAECKXAZ-FCHUYYIVSA-N 468.577 2.365 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2Cc2nnc(CC)s2)CC1 1749019139 MJONYOGAVYFEDK-UHFFFAOYSA-N 483.573 2.424 30 10 JEEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](c2ccccc2)C[C@H]1C 1749037371 CCAPEDMALKQZOK-GIVPXCGWSA-N 489.667 2.360 30 10 JEEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1ccc(CC)o1 1749037575 FUOFBDFOTSPZSB-ICSRJNTNSA-N 493.655 2.474 30 10 JEEE COc1ccccc1Cc1nnc(N2CCO[C@H](C#N)C2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1749043017 GGEIBGSKGRJRET-SFHLNBCPSA-N 454.575 2.106 30 10 JEEE C=C(Br)Cn1c(CCc2ccc(OC)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1749109646 UOARJFIWSHTTLZ-SJLPKXTDSA-N 479.375 2.341 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CCS(=O)(=O)C1 1749600308 VNUCCFSPUWCGIZ-MOPGFXCFSA-N 497.662 2.466 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H]2CC[C@H](CO)O2)C1 1749694701 VFYVKHKCSQTWOH-PCCBWWKXSA-N 455.559 2.468 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc(Cc2cn3ccccc3n2)n1Cc1cccc(OCC(N)=O)c1 1750077208 DWXRAFXSFLKXLY-KRWDZBQOSA-N 458.526 2.025 30 10 JEEE CC(C)(C)c1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CC(=O)N1CCOCC1 1750446640 CRTDVYIUJATIRA-UHFFFAOYSA-N 465.602 2.018 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@](C)(O)c2cc(C)oc2C)c1 1760129123 YNFPBSLPYQEXOM-RLWLMLJZSA-N 490.564 2.403 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H]1CC=CCO1)[C@H]1CCS(=O)(=O)C1 1760182510 JRYUWCRKEYLNJE-LEWJYISDSA-N 483.594 2.119 30 10 JEEE C#CCN(c1nnc(C(C)C)n1Cc1cc2c(cc1OC)C[C@@H](C)O2)[C@H]1CCS(=O)(=O)C1 1760183542 RDZOFHIKKHYZHU-APWZRJJASA-N 458.584 2.409 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1CCCN(C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1760183601 CBJNKRNNFTXZNG-QFIPXVFZSA-N 478.622 2.489 30 10 JEEE C#CCN(c1nnc(-c2nnc(O)c3ccccc23)n1CCSC(C)C)[C@@H]1CCS(=O)(=O)C1 1760186967 BNZJLTDDOYWDHL-MRXNPFEDSA-N 486.623 2.362 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@@H](c1ccco1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1760188990 FABQSJZJFFNJOQ-MOPGFXCFSA-N 473.624 2.453 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cccc(CO)c1 1760216244 GLLGXRZSTPZRBC-UHFFFAOYSA-N 462.579 2.242 30 10 JEEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H](C(C)C)N2CCOCC2)CC1 1760262258 WJEJWNYTHGYIOB-QHCPKHFHSA-N 472.584 2.259 30 10 JEEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2Cc2ccc(OC)c(OC)c2OC)CC1 1760262539 PLCJKDVZQIFNBD-UHFFFAOYSA-N 462.554 2.093 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccncc2Cl)CC1 1760265041 LWMHTHSMBZUXGH-UHFFFAOYSA-N 471.993 2.259 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCCO[C@@H]2C(C)(C)C)CC1 1760271166 ODCQMCNWXSAUDJ-REWPJTCUSA-N 484.645 2.208 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCN(c2ccccc2OC)C1 1760288632 HOLWWVZCGRNQIA-YDIMBITNSA-N 486.642 2.416 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC(=O)N2CCOCC2)C1 1760537650 PPXLXCCADRIZBC-YLJYHZDGSA-N 459.522 2.197 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1760553238 OZKHIZHOSQSMSP-SJORKVTESA-N 461.588 2.194 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CCC(=O)NC(C)(C)C 1761239840 DCPZOTJCXQJWAN-IBGZPJMESA-N 467.574 2.171 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCN1CCOCC1(C)C 1761362539 CZISCHYPHZMVCY-IBGZPJMESA-N 467.622 2.301 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CCCn1cnc2ccccc21 1761479672 ABNJBNYPDJIFOW-QGZVFWFLSA-N 470.603 2.458 30 10 JEEE COc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H](c1ccco1)N(C)C 1768980421 DIFZRWKKNKOKFA-ZWKOTPCHSA-N 452.515 2.490 30 10 JEEE C=CCNC1=C(c2ccc(OCCC)cc2)C(=O)N(CCc2ccc(S(N)(=O)=O)cc2)C1=O 1863685233 NHEOTOXKKUZGKU-UHFFFAOYSA-N 469.563 2.221 30 10 JEEE CCC[C@H](NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(=O)N1CCN(c2ncccn2)CC1 1868795394 KZVLRYJYLARTAQ-LEWJYISDSA-N 495.653 2.448 30 10 JEEE O=C(NCCCn1ccnc1)[C@H](Cc1c[nH]c2ccccc12)N=C1NS(=O)(=O)c2ccccc21 1869931883 KUBUPYQDACZBTL-NRFANRHFSA-N 476.562 2.221 30 10 JEEE O=C(NCc1ccc(O)cc1)[C@H](Cc1ccc(F)cc1)N=C1NS(=O)(=O)c2ccccc21 1869934049 XGHSJTGVUYJQLD-FQEVSTJZSA-N 453.495 2.498 30 10 JEEE COc1ccc(Cn2nnc(C#N)c2NC(=O)CCCN2C(=O)c3ccccc3C2=O)cc1F 1870107793 YXJZQUSXQSBNHF-UHFFFAOYSA-N 462.441 2.361 30 10 JEEE COC(=O)COc1cn(CCNC(C)=O)c(CSc2nc(C)c(C)c(C)c2C#N)cc1=O 1870265569 ODGAFECGFHYKBK-UHFFFAOYSA-N 458.540 2.020 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)N2CCOCC2)cn1CCCCN(CC)CC 1870583157 HJDUBWRBQSHWGP-UHFFFAOYSA-N 474.646 2.382 30 10 JEEE C=CCN(CC=C)c1nc(=NCCCN2CCCC2=O)[nH]c(=Nc2cc(OC)c(OC)c(OC)c2)[nH]1 1871564278 CSZLHGUQCOWSRM-UHFFFAOYSA-N 497.600 2.088 30 10 JEEE C=CCC1(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C(=O)O)CN(C(=O)OC(C)(C)C)C1 2059550129 MCBKRHYIQMXXST-HNNXBMFYSA-N 453.536 2.332 30 10 JEEE CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2124532258 JJOMKXVZMASIMB-ZDUSSCGKSA-N 454.283 2.359 30 10 JEEE COC[C@@H](ONC(=O)OC(C)(C)C)C(=O)NCCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2180991462 NJSXAHIVIOGXGN-GOSISDBHSA-N 464.368 2.116 30 10 JEEE CC(C)[C@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2256668485 AZQGHBSGKJXNFP-MPBGBICISA-N 452.386 2.137 30 10 JEEE CC[C@H](CN(C)C(=O)c1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C)NC(=O)OC(C)(C)C 2267007084 WXKDZFYAPNBYML-OAHLLOKOSA-N 450.389 2.403 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)[C@@H]2COC[C@@H]12 2267137643 OMRDDDZLVYCLBT-ARFHVFGLSA-N 464.393 2.411 30 10 JEEE CC[C@H](CN(C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nn(C)c1C)NC(=O)OC(C)(C)C 2267141763 YUUSWZWNALOKEJ-OAHLLOKOSA-N 450.389 2.403 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1CCN1S(=O)(=O)Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2267469010 ZRBXUCUMFKDWCY-GOSISDBHSA-N 466.409 2.415 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](CNC(=O)c2cc(F)ccc2B2OC(C)(C)C(C)(C)O2)[C@@H](O)C1 2281761219 CPZZJUJMIQTBJU-KSSFIOAISA-N 464.343 2.083 30 10 JEEE Cn1cc(C(=O)NCc2cncc(NC(=O)OC(C)(C)C)c2)nc1B1OC(C)(C)C(C)(C)O1 2282038451 IXJXTKNWWXVRCX-UHFFFAOYSA-N 457.340 2.391 30 10 JEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1[C@H]2CC[C@H]1CN(C(=O)C(F)(F)F)C2 2282310439 TYCFVIJSBAXVAU-STQMWFEESA-N 494.366 2.282 30 10 JEEE Cn1nc(C(=O)N2C[C@@H]3CN(Cc4ccccc4)CC[C@H]3C2)cc1B1OC(C)(C)C(C)(C)O1 2282596926 DOESOVGVXXETTQ-PMACEKPBSA-N 450.392 2.313 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H]2COC[C@@H](C1)N2C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2282607547 KWMDUESVRJMSEV-LSDHHAIUSA-N 479.408 2.293 30 10 JEEE Cn1nc(C(=O)NC[C@H]2CC(C)(C)CN2C(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2282626398 BMTXLZWQRUIOKR-OAHLLOKOSA-N 462.400 2.485 30 10 JEEE Cc1nc(S(=O)(=O)N2[C@H]3CC[C@@H](C3)N2C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1C 2282872284 UNMFTMLIEXAFCQ-GJZGRUSLSA-N 482.412 2.105 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2O)CCO1 2282986356 PGRMVSNUWSXXKX-INIZCTEOSA-N 462.352 2.057 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)OC(C)(C)C1 2284136671 FGZNSYINNCWASB-QWHCGFSZSA-N 482.412 2.049 30 10 JEEE COC(=O)c1ccc([C@H]2C(=C(O)c3ccc(OC)cc3)C(=O)C(=O)N2CCN2CCOCC2)cc1 2297056925 AGZHIRUEZSNZMK-QFIPXVFZSA-N 480.517 2.236 30 10 JEEE CCCN1C(=O)[C@]2(C(=C(O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCOC)c2ccccc21 2297746658 XRHJDDFKPVSQID-AREMUKBSSA-N 478.501 2.437 30 10 JEEE COC(=O)c1ccc(CSc2nnc(CNC(C)=O)n2N=Cc2ccc3c(c2)OCCO3)o1 2330752544 NFFNSDSXCCTFGW-UHFFFAOYSA-N 471.495 2.240 30 10 JEEE CC(C)(C)OC(=O)N1CC2(CCC[C@H]2C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2339607732 ILDPLKCHNZZDRM-ZDUSSCGKSA-N 464.397 2.235 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(C(=O)OC(C)(C)C)[C@H]2CCC[C@@H]21 2367687626 UQRYKHMLKDKQLP-IRXDYDNUSA-N 460.384 2.333 30 10 JEEE CC(C)(C)OC(=O)N(CCO)CCC(=O)N1CCc2cccc(B3OC(C)(C)C(C)(C)O3)c21 2368520897 LSYORNBZNVOBGN-UHFFFAOYSA-N 460.380 2.494 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(C)[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2F)n1C 2369674366 RPWACLZWQQQRGY-CABCVRRESA-N 466.363 2.057 30 10 JEEE COc1ccc([C@@H](NC(=O)CN2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C(C)C)cc1 28961534 MEVAMRWDOHYDOX-DEOSSOPVSA-N 470.595 2.387 30 10 JEEE COc1cc(/C=N/Nc2nc(SCC(=O)Nc3nccs3)n[nH]2)c([N+](=O)[O-])cc1O 59040049 DRLSJFWCELTQBU-UBKPWBPPSA-N 450.462 2.060 30 10 JEEE COc1ccc([C@@H]2c3c(nc(NCc4ccc5c(c4)OCCO5)[nH]c3=O)NC(=O)[C@H]2C#N)c(OC)c1 72472400 KFLYIOLSKAJSDN-JXFKEZNVSA-N 489.488 2.394 30 10 JEEE NS(=O)(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2ccccn2)cc1 170353285 OAQRIRVYTMOORJ-OAQYLSRUSA-N 493.497 2.283 30 10 JEEE N#Cc1nccnc1O[C@H]1CC[C@H](NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)CC1 238903940 RSBBDIOMLIJCML-IYARVYRRSA-N 455.540 2.253 30 10 JEEE C=CCn1c(CCc2ccccc2)nnc1SCC(=O)N1CCN(CC(=O)NC(C)C)CC1 253563321 FHRGNDPKQZDLSK-UHFFFAOYSA-N 470.643 2.010 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(O)CCN(C(C)C)CC1 1286297289 VNIDQUAKWYYHIE-VQTJNVASSA-N 490.649 2.280 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1Cc1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1286387158 AZZOTBQGPXRHAJ-SFHVURJKSA-N 455.540 2.234 30 10 JEEE C#CCN(c1nnc([C@H]2COc3ccccc3O2)n1CCCN(CC)CC)[C@@H]1CCS(=O)(=O)C1 1286391075 CLFWCDLAWRHODK-DENIHFKCSA-N 487.626 2.149 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCc2ccccc2OCC)CC1 1286494388 NEZYBIAKCGDIRM-UHFFFAOYSA-N 478.597 2.008 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@H](C)c2nc(C(C)C)no2)CC1 1286606332 MRUKNZGMKHXCLY-MSOLQXFVSA-N 472.594 2.212 30 10 JEEE C=CCC(C)(C)Cn1c(N2CCC[C@H](n3cnc(C(N)=O)n3)C2)nnc1[C@]1(OCC)CCOC1 1286675982 FNCJHCUVSWRAOD-SBUREZEXSA-N 472.594 2.064 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCCO2)n1C[C@@]1(O)CCS(=O)(=O)C1 1286749211 NFGYXHPUVLWMQM-PXNSSMCTSA-N 452.602 2.323 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1ccc(C(N)=O)cc1 1286794120 XFEQSRQXAPZWCH-UYAOXDASSA-N 454.575 2.234 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2CC)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1286822943 JJERARFWOGRKIT-PMACEKPBSA-N 487.626 2.268 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(NC(=O)[C@H]2CCCO2)c1 1300269131 ZURRYZNAVZLVOA-YLJYHZDGSA-N 450.543 2.138 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(Cl)c1C 1300309965 WARYLNSYCBTALJ-KBXCAEBGSA-N 451.980 2.079 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1CC1(C)COC1)[C@@H]1CCS(=O)(=O)C1 1300485128 ULQRMJIHFWHQRI-RTBURBONSA-N 488.610 2.480 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1nccnc1C 1300539139 ZAUSNFLIIZPGHZ-FQEVSTJZSA-N 465.558 2.000 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2C[C@]2(O)CCN(C)C2)CC1 1300690841 KECCSUUKPZWDQA-SANMLTNESA-N 466.630 2.192 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)s3)n2CCCc2cnn(C)n2)CC1 1300690906 SLWLUPBUMCIAQT-UHFFFAOYSA-N 475.420 2.286 30 10 JEEE C=C(C)COCCn1c(Cc2ccccc2OC)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1300993864 KCNRJXSAJZXMJX-URXFXBBRSA-N 496.656 2.459 30 10 JEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccccc2F)CC1 1301187922 DZKSKPYIDYZTDN-NRFANRHFSA-N 492.621 2.433 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccccn2)n1CCN1CCCS1(=O)=O 1301341204 PPLXUCQDKAPJBP-UHFFFAOYSA-N 463.567 2.440 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H](NC(=O)CC)C1 1301585866 CNWXHPCWDCJEBB-IBGZPJMESA-N 463.579 2.104 30 10 JEEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2c(C)cccc2C1 1301611275 ANEUNHXNVCSUOO-HXUWFJFHSA-N 477.656 2.401 30 10 JEEE N#C[C@@H]1CN(c2nnc(-c3cccc(Br)c3)n2C[C@@H]2CCCS(=O)(=O)C2)CCO1 1303001641 FYMWMWBSIXJTNT-WMLDXEAASA-N 480.388 2.261 30 10 JEEE C[C@@H]1C[C@@H](C)CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1304922507 ASQHZKLGEFXAAQ-QWFCFKBJSA-N 472.615 2.493 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(S(C)(=O)=O)CCCC1 1358884970 ACZRBTQDVSBGNO-INIZCTEOSA-N 468.583 2.007 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H](C(C)C)N1CCOCC1 1358889940 JIWOQMDJYYPWET-IFMALSPDSA-N 466.634 2.267 30 10 JEEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](CNC(C)=O)C1 1358936695 UWENJWVOTOIAQU-OALUTQOASA-N 460.579 2.105 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2Cl)n1CCOCCCO)[C@@H]1CCS(=O)(=O)C1 1358958515 PZZOSFUHTUWJHP-MRXNPFEDSA-N 487.409 2.278 30 10 JEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CCCN1CCC(O)CC1)[C@H]1CCS(=O)(=O)C1 1358958648 SPCFGARWMKBSHA-FQEVSTJZSA-N 492.045 2.072 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCCNc2ccc(C(F)(F)F)cn2)CC1 1359028545 WAHCUSADAJIXOU-UHFFFAOYSA-N 478.523 2.088 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@](C)(O)c2ccccc2Cl)CC1 1359043706 FFOLZRVEJKGPOI-XMMPIXPASA-N 481.988 2.206 30 10 JEEE C#CCSCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC(OCC(N)=O)CC1 1359050338 NZUZKBZPVDTADC-UHFFFAOYSA-N 465.583 2.172 30 10 JEEE C#CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@H](CC(N)=O)C1 1359056113 YLATWTZMGGSFNQ-OAHLLOKOSA-N 451.556 2.052 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCC1CCOCC1 1359099612 QOHRLHGVZOGATC-ZCNNSNEGSA-N 452.621 2.414 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1CCN(Cc2ccccc2)CC1 1359121665 BGINALMBHQDGQV-JOCHJYFZSA-N 488.658 2.288 30 10 JEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 1359228040 RYNLZJSFGCHZSB-HXUWFJFHSA-N 479.647 2.144 30 10 JEEE C=CCSCCn1c(Nc2cnn([C@@H]3CC3(F)F)c2)nnc1[C@@H]1CN(S(C)(=O)=O)CCO1 1359346437 LHMVQPJBCLIINU-LSDHHAIUSA-N 489.574 2.050 30 10 JEEE C=CCSCCn1c(N2CC[C@@H]3NC(=O)OC[C@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1359346655 REJBTNAOAYTIFQ-LLGFUMIMSA-N 451.593 2.173 30 10 JEEE C[C@H](Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C#N)C1)N(C)C1CC1 1360530661 CXCVZLJNUVPPMS-BEFAXECRSA-N 457.966 2.073 30 10 JEEE C#CCCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(NS(=O)(=O)CC)CC1 1507560716 NHXBGZIGGTULDB-UHFFFAOYSA-N 483.598 2.306 30 10 JEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1507593519 RBZRHZWYXCKPOP-TZIWHRDSSA-N 497.669 2.062 30 10 JEEE C#CCN(c1nnc(-c2cn(C)c3ccccc23)n1CCCOCC)[C@H]1CCS(=O)(=O)C1 1507630645 DWZLMKWNZVKHLT-SFHVURJKSA-N 455.584 2.490 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCC1(COC)CCCC1)[C@H]1CCS(=O)(=O)C1 1507633719 UUKPVSXDPUPEIT-PMACEKPBSA-N 464.632 2.396 30 10 JEEE C#CCN(c1nnc(COCC)n1C[C@H]1CCN(c2ccccc2F)C1)[C@H]1CCS(=O)(=O)C1 1507639124 VYSMHZZNYZEWCL-OALUTQOASA-N 475.590 2.107 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCc2cc(F)cc(F)c2)CC1 1507733664 HMFUJSGWULXLRG-UHFFFAOYSA-N 493.518 2.412 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@H](CC)NC(=O)OC(C)(C)C)CC1 1507738721 WPOKEIPBYZHREZ-SFHVURJKSA-N 482.589 2.004 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](Oc2ccccn2)C1 1507784263 HTWQPYMJDGNNKP-CABCVRRESA-N 468.377 2.142 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)CC)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1507802433 BWVIIAFOWFHJAJ-NCYKPQTJSA-N 481.663 2.404 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CCc1ccc(O)cc1 1507831576 AFLPZVYDSPXDJO-PXNSSMCTSA-N 463.604 2.350 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)Oc2ccccc2)CC1 1507884940 ODDDVQYGPJPCJM-AZUAARDMSA-N 461.588 2.235 30 10 JEEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2nc(C)cs2)CC1 1507926886 VSQFWVJOXJJPJJ-INIZCTEOSA-N 453.638 2.336 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2ccccc2C)CCOCC1 1507983322 PZPHRBKNJZTFMG-NRFANRHFSA-N 489.642 2.290 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@]1(O)CCS(=O)(=O)C1 1508017194 KYHYCCHZHYAKCD-FDDCHVKYSA-N 495.646 2.121 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(N(C)C)CCC[C@H](C)C1 1508020574 PLWHGISJMYFURW-JTAQYXEDSA-N 480.679 2.300 30 10 JEEE C=CCOc1ccccc1Cn1c(COCC)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1508108851 MVGZPIMNFSRHTF-UHFFFAOYSA-N 451.531 2.014 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCC(NC(=O)C(C)C)CC1 1508142384 CTVSIMYJOSEPGX-UHFFFAOYSA-N 451.637 2.353 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CC[C@H](C)[C@@H]1C 1508144262 SOIJNIMSXAIOOF-VXKWHMMOSA-N 486.686 2.478 30 10 JEEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1508146954 FJXZYHAUXOFBQP-UHFFFAOYSA-N 474.553 2.328 30 10 JEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(CC)Cc1nc(O)c2sccc2n1 1539094270 NFJMJWHILNMEOI-CYBMUJFWSA-N 463.589 2.039 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1CC(=O)N(C)Cc1ccccc1 1539271919 NLAXIATUDLGECF-UHFFFAOYSA-N 451.534 2.248 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H](OC)c2ccc(F)cc2)CC1 1539430539 KXYCTWBQIZDOJG-ZJSXRUAMSA-N 457.550 2.212 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CSc3ccc(C)cc3)n2CC(=O)NCCC)CC1 1539489162 ILYSZUPQLMKFJW-UHFFFAOYSA-N 468.627 2.371 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(Br)n1 1539538665 LFOSZXHOQQOWIU-SCLBCKFNSA-N 467.393 2.086 30 10 JEEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 1539606272 BUVRBXCZCIVVBP-OAHLLOKOSA-N 492.374 2.380 30 10 JEEE C=C(C)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1539706617 MRQKLUDFAVEIDE-NQIIRXRSSA-N 454.575 2.403 30 10 JEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 1540004496 ADFMFFCFWUISNB-LPHOPBHVSA-N 495.568 2.107 30 10 JEEE C=CCNC(=O)Cn1c(Cn2ccc3ccccc32)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1540873787 KACCGBKURCQYNA-LJQANCHMSA-N 463.586 2.276 30 10 JEEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1540917102 NSWMBVGWFIWFHD-UWJYYQICSA-N 487.692 2.172 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc(Cc2cn3ccccc3n2)n1CCc1ccc(S(N)(=O)=O)cc1 1541804869 FHBNCHRBGAAQRH-KRWDZBQOSA-N 478.582 2.145 30 10 JEEE Cc1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCN2C[C@H](C)O[C@H](C)C2)c(=O)n1C 1542383683 FDLCNOTUDCHHLR-BGYRXZFFSA-N 475.597 2.418 30 10 JEEE Cc1nn(C)c(C)c1Cn1c(C(=O)NC(C)C)nnc1N1CCCN(c2ccccc2C#N)CC1 1542994250 GCEFFSHODDOADE-UHFFFAOYSA-N 475.601 2.403 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CC(=O)NCC1CC1 1545916488 HLSWUYHYVFFOCW-UHFFFAOYSA-N 496.591 2.060 30 10 JEEE CCOCc1nnc(N2CCN(c3ccccc3C#N)CC2)n1Cc1c(CC)nn(C)c1OC 1548172801 DQOZVIYWBHXWBZ-UHFFFAOYSA-N 464.574 2.366 30 10 JEEE Cn1cnnc1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 1554352419 GMGMXJBIVYVWRU-IBGZPJMESA-N 491.600 2.284 30 10 JEEE COCC1(Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3ccccc3C#N)CC2)CCOCC1 1555294912 BMJDORFIFREIBG-UHFFFAOYSA-N 481.601 2.058 30 10 JEEE CC(=O)c1ccc(S(=O)(=O)NCC(=O)N[C@H](C#N)c2ccc(Br)cc2)cc1 1588244462 IHRWXOZNQQCGNG-QGZVFWFLSA-N 450.314 2.311 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(OC)c2)n1C[C@H](N1CCOCC1)C(F)(F)F 1588595231 QDNHBNVRPKBHGE-IBGZPJMESA-N 467.492 2.303 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCCOC3)n2C[C@H]2CC(F)(F)CO2)n1 1588723649 OFFYKRKUGVUBGD-IEBWSBKVSA-N 464.517 2.079 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2ccnc(C(F)(F)F)c2)CC1 1588923935 QUZYMEBUMBUQFQ-UHFFFAOYSA-N 470.459 2.163 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(OC[C@@H]2CCCCO2)CC1 1593747519 YBFSTTBISBQRLN-FPOVZHCZSA-N 482.647 2.327 30 10 JEEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(O)CC(OCC)C1 1594963503 UEIRGYFRIMSTIK-PSCUFVCCSA-N 451.568 2.139 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C2CC(C(C)(C)C)C2)C1 1595729435 MLGXLIWCDUSMMY-GMNCBBECSA-N 467.636 2.390 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@H](C(=O)OC)C1 1595823862 TWHPFXZIQRUDQV-IBGZPJMESA-N 476.599 2.464 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1c[nH]c2cc(F)ccc12 1596830564 CPMPKQKGGMFSSR-FOIQADDNSA-N 489.577 2.070 30 10 JEEE Cc1c(Cn2c(CCN3CCN(c4ccccc4)CC3)nnc2N(C)[C@@H](C)CC#N)cnn1C 1611888302 FVIHKXPOHVMNKQ-FQEVSTJZSA-N 461.618 2.471 30 10 JEEE CCOC(=O)c1c(NC(=O)N[C@@H]2CCN(c3ccccc3F)C2=O)c(C#N)cn1CCOC 1623540595 FZYRXGGGOWVXSU-MRXNPFEDSA-N 457.462 2.249 30 10 JEEE N#Cc1ccc(CN2CC[C@H](NS(=O)(=O)c3ccc(C#N)c(Br)c3)C2=O)cc1 1661765667 IFHMLBCIAFKBDW-SFHVURJKSA-N 459.325 2.272 30 10 JEEE C=C(Cl)C[C@H](NC1CCN(S(=O)(=O)c2ccc(NC(C)=O)cc2)CC1)C(=O)OCC 1665451001 ZAUCUBUHWGUHIA-IBGZPJMESA-N 457.980 2.462 30 10 JEEE C#C[C@H]1COCCN1C(=O)Nc1ccccc1OCCN1CCN(C(=O)OC(C)(C)C)CC1 1672112177 BRVGAAPYWJPEMK-IBGZPJMESA-N 458.559 2.484 30 10 JEEE CCOC(=O)C1(S(C)(=O)=O)CCN(C(=O)NCc2cccc(O[C@@H](C#N)CC)c2)CC1 1684602128 DNACNHSSACIQDW-QGZVFWFLSA-N 451.545 2.019 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)(C)C)n2CCCN(C)S(=O)(=O)CC)c1 1689868511 IXGBROZRLYKTRE-UHFFFAOYSA-N 474.631 2.303 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CC=CCO2)c1 1689868850 SDICVSOUYMHWET-FQEVSTJZSA-N 471.521 2.327 30 10 JEEE C#CCCCn1c(Cc2ccccc2F)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1689933520 PTQDZICLBRUHOP-UHFFFAOYSA-N 472.546 2.061 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCN1CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1689991788 CKSLGINXYZVHLM-RXVVDRJESA-N 459.591 2.119 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCOC[C@H]1C 1690043092 OOPYTJYDZOLFMF-RTBURBONSA-N 454.600 2.374 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@H]1CCOC[C@@H]1OC 1690099630 FXBOHXSTYLCDPS-UGKGYDQZSA-N 450.543 2.268 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@]2(O)CCO[C@@H]2C)CC1 1690113237 DODCASNKFUOOEQ-IIBYNOLFSA-N 460.376 2.003 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(OC)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1690212579 OYEMKFOGGRYRLN-FDDCHVKYSA-N 473.599 2.139 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCOc2cccc(F)c2)CC1 1690411751 TYIHWONJVBIAKS-FQEVSTJZSA-N 479.578 2.232 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](CNC(=O)CCC)C1 1690666013 WGOSEZDEHNNIEO-MRXNPFEDSA-N 459.982 2.428 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN([C@H](C)c2nccs2)CC1 1690668802 JWKVMWOAZJHHSK-QGZVFWFLSA-N 452.588 2.290 30 10 JEEE C=CCOc1ccccc1Cn1c(-c2cnn(C)c2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1690682702 WZLIKALACMQZCR-UHFFFAOYSA-N 485.614 2.152 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCOC3)n2Cc2cccc(OCC(=O)N(C)C)c2)C1 1690700141 OCXNYNVSYJCFAX-UNMCSNQZSA-N 469.586 2.469 30 10 JEEE C=CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CC(=O)NC(C)(C)C 1690742381 ORFIYQHARMGLDD-UHFFFAOYSA-N 469.615 2.462 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCN1CCCS1(=O)=O 1692659622 GRMSMRFFJHMZSL-INIZCTEOSA-N 454.560 2.109 30 10 JEEE CN(C)CC(C)(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@](F)(C#N)C1 1696613028 DNYRJSJJKAWMMJ-QHCPKHFHSA-N 452.538 2.222 30 10 JEEE C#CCCCCn1c(N2CCN([C@@H](C)C(=O)N3CCCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1705522103 VRHOIDPLZZSQDI-BKMJKUGQSA-N 486.661 2.255 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1ccc(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1705563960 IKQVOQHQCHRADH-LJQANCHMSA-N 467.551 2.032 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCCN1C[C@@H](C)C[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1705566559 ODVXLTVEAYFOEC-CIAFKFPVSA-N 477.675 2.167 30 10 JEEE C#CCN(c1nnc(COc2ccccc2CC)n1C[C@@](C)(O)C(C)C)[C@H]1CCS(=O)(=O)C1 1705568855 WIFLRUZZKGTTBG-GBXCKJPGSA-N 474.627 2.453 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CCc1c(F)cccc1F)[C@@H]1CCS(=O)(=O)C1 1705568945 BBRHXJIEYHDKGA-GOSISDBHSA-N 471.533 2.412 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@H](C1CC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1705570801 RDEORXYNQZNCAH-DYESRHJHSA-N 477.581 2.114 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@@H]1CCCN(C(C)=O)C1)[C@@H]1CCS(=O)(=O)C1 1705571237 XDBDLESAHQZACP-FYYLOGMGSA-N 483.638 2.063 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccc(Cl)cc2)n1CCN/C(O)=C1\N=CC=CC1=O 1705585924 OETSVRBFPZXVFF-QURGRASLSA-N 464.913 2.110 30 10 JEEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CCCNC(=O)c2occc2C)CC1 1705640931 KMFSSJRZXMKUME-UHFFFAOYSA-N 467.599 2.111 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCC2(F)CCC2)CC1 1705644009 FNNPBSRLOGVUSL-UHFFFAOYSA-N 453.522 2.174 30 10 JEEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1705657663 MOGPNOYAFAPWIC-KRWDZBQOSA-N 460.604 2.380 30 10 JEEE C=C(Br)Cn1c(N2CCC(CC(N)=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1705692672 PJOUYSJKLILKNU-IBGZPJMESA-N 456.385 2.319 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1705714280 LGEYNTOOUAMWJF-JOCHJYFZSA-N 456.572 2.083 30 10 JEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2ccc(F)cc2)C1 1705820064 ZZCSOGUJUMDWLR-WOJBJXKFSA-N 479.578 2.294 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1)C(C)C 1705869311 RGUXUPYPLFBKOI-NNMXDRDESA-N 464.611 2.321 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@@](C)(CC)C1 1705936546 SSWUEFCEAUHBCP-QHCPKHFHSA-N 489.646 2.058 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@]1(O)CCO[C@@H]1C 1722505403 NJOOQUZFFWFGFI-VGOFRKELSA-N 462.620 2.489 30 10 JEEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)c2ccccn2)CC1 1722588834 GDYZUEVWABNFEC-UHFFFAOYSA-N 451.575 2.360 30 10 JEEE C=CCCOCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@@H](C)[C@@H](O)C1 1722623140 YFDREFMSWMIOOQ-AEFFLSMTSA-N 462.620 2.346 30 10 JEEE C=CCCOCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN2CCCC[C@@H]2C1 1722624187 WACVWTHBMGPOMR-OAQYLSRUSA-N 488.658 2.463 30 10 JEEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1722624378 BNVDQXGHIXPQOW-UHFFFAOYSA-N 455.485 2.166 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@H]1CCCCS1(=O)=O 1722681657 PHMQQVDCJXIGIT-YLJYHZDGSA-N 462.572 2.397 30 10 JEEE C=CCn1c(C(=O)NC(CC)CC)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1722681987 HWPYJOCALYIYOD-KDURUIRLSA-N 459.639 2.009 30 10 JEEE C=CCS(=O)(=O)CCn1c(CSc2ccc(C)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C 1722732081 UTBLRPBKLTXMNW-KRWDZBQOSA-N 463.629 2.147 30 10 JEEE C[C@H]1CN(C(C)(C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCS(=O)CC2)C[C@@H](C)O1 1726633783 DYZWUMUUNYMNRQ-HDICACEKSA-N 456.616 2.273 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(F)cc1Cl 1740548805 CBYHLRRDKHIJOI-KBXCAEBGSA-N 469.970 2.104 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(OCC(C)C)c1 1740549268 DSRCILSZAGOCGA-WIYYLYMNSA-N 475.615 2.152 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1CCC(=O)NCCC)[C@H]1CCS(=O)(=O)C1 1740619914 MVNHWLNBSTZTIK-KRWDZBQOSA-N 494.017 2.150 30 10 JEEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](c1ccccc1Cl)N(C)C 1740662557 UYQUYSJZYJZIHN-CRAIPNDOSA-N 453.012 2.304 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CC12CCOCC2 1740664350 NBHGZSSPPQDOJC-IBGZPJMESA-N 457.600 2.472 30 10 JEEE C#CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CCC=CO1 1740679748 IUKIHQUEAMHXMR-SFHVURJKSA-N 458.588 2.325 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccnc(SC)c2)CC1 1740702977 CISQBNOUCSZLNH-XMMPIXPASA-N 484.626 2.061 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CCOC)[C@H](C)C1 1740750449 CBJNQLGCNANZRA-DYXWJJEUSA-N 469.590 2.064 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccn2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1740757797 RRPOPJOFJMCHRM-ICSRJNTNSA-N 460.604 2.087 30 10 JEEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2ccco2)C1 1740863376 WHHKUCKCXCEVET-RTBURBONSA-N 465.576 2.138 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCOCCS(C)(=O)=O 1740905395 VHJLTEALRWVULQ-INIZCTEOSA-N 457.597 2.034 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(-c2ccccc2)no1 1740932822 WRVNQARNHNPHFI-OAQYLSRUSA-N 484.582 2.493 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1C[C@@H](C)O[C@H](CC)C1 1740992981 QVVURBZKFUVWRD-IEBWSBKVSA-N 458.588 2.121 30 10 JEEE CC(C)OC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC(F)(F)F)CCO1 1741753699 GTDKPOIJKHMPJL-KRWDZBQOSA-N 466.464 2.125 30 10 JEEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@]2(C)CCCS2)c1 1747602064 CTZWOKPCINIJNB-LAUBAEHRSA-N 476.628 2.210 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2CCCN2CCOC2=O)c1 1748692040 BYDXKANQLYIZAN-IBGZPJMESA-N 466.542 2.071 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CCc1cc(F)cc(F)c1)[C@H]1CCS(=O)(=O)C1 1748819436 OQWBBKKZJNYIEG-NRFANRHFSA-N 471.533 2.412 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CCc1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1748819705 SAELCYNNZVTFQC-OAQYLSRUSA-N 465.579 2.142 30 10 JEEE C#CCN(c1nnc(CC2CCCC2)n1Cc1ccc(NC(C)=O)nc1)[C@H]1CCS(=O)(=O)C1 1748820536 DHPNQRMRIROZKS-FQEVSTJZSA-N 470.599 2.039 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)NC1CCCCC1 1748858203 MYKKWEONAPMDQN-FQEVSTJZSA-N 484.601 2.108 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H]1CCCN(C(C)=O)C1 1748887498 AVJRZJSMYREUOU-LJQANCHMSA-N 457.538 2.315 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(Br)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1748913113 PQKXWKZZIHKQDM-OAHLLOKOSA-N 466.405 2.449 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@H]2CCCN2CCCO)CC1 1748979241 WMDFVXRJXUDIQD-FQEVSTJZSA-N 474.556 2.149 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Cl)n2CCNC(=O)C2CC2)CC1 1749011215 ZJZKRBUNRYDKMS-UHFFFAOYSA-N 454.962 2.091 30 10 JEEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1749409731 ZHVXCGUQOHAVMM-UHFFFAOYSA-N 457.623 2.051 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1749672071 OYNTZERPUABQAY-FQEVSTJZSA-N 452.603 2.169 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCc2c(ccnc2O)C1 1749724508 KCJAXMODQJYXCA-UHFFFAOYSA-N 455.540 2.218 30 10 JEEE CC(C)(Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](C#N)C1)c1ccccn1 1750528885 GUEZBQWWTJWYBU-MRXNPFEDSA-N 451.556 2.371 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CCCNS(C)(=O)=O 1760104659 CDNPQYJLXLWWGZ-CYBMUJFWSA-N 470.393 2.113 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2CC2([S@@](C)=O)CCC2)c1 1760128861 VBQRESAIXJJFMJ-HYHKQLJDSA-N 455.584 2.139 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@H](C1CCCCC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1760190676 UBMJFGDZAHEQRA-DHIUTWEWSA-N 484.670 2.401 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H](OC)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1760192889 PFHZJHAAHJREEI-KJJMTIBFSA-N 488.610 2.017 30 10 JEEE C#CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(CCOC)[C@@H](C)C1 1760281244 LXFLVECKBXLARJ-RXVVDRJESA-N 457.600 2.314 30 10 JEEE C=C(Br)Cn1c(N(C)CCN2C[C@H](C)O[C@H](C)C2)nnc1[C@@]1(OCC)CCOC1 1760313681 DINBWKYWTUBWBF-FUHIMQAGSA-N 472.428 2.384 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)COC)CC1 1760325550 QRUDHQFUWXNNFK-CVDCTZTESA-N 457.550 2.284 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Br)cc2)nnc1N1CCNC(=O)[C@H]1CC 1760551695 OXOYZGXGXXWOBO-MRXNPFEDSA-N 482.404 2.023 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC(CC(=O)NC)CC1 1760554030 PALAOXYCSPEBLY-UHFFFAOYSA-N 470.599 2.380 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC(CC(=O)NC)CC1 1760557068 ZKAUILZGQLYTBU-UHFFFAOYSA-N 484.626 2.304 30 10 JEEE C[C@@H](CC(N)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1CC1CCN(C2CC2)CC1 1761370493 CDJUSQDQKZULGW-KRWDZBQOSA-N 451.575 2.303 30 10 JEEE COC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C(C)C)N2CCOCC2)C1 1769397495 CXGIVMLDLXCMOU-GGAORHGYSA-N 496.612 2.475 30 10 JEEE COc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@](C)(C#N)C2)c(OC)c1OC 1770199550 GGGQJWIONFDAMA-OYHNWAKOSA-N 492.602 2.092 30 10 JEEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCOc2ncccc2F)CCO1 1770960240 GAZPJJDHVVQXDL-IBGZPJMESA-N 468.489 2.193 30 10 JEEE CCN(C(=O)c1nc(C(=O)Nc2cccc(C#N)c2)n2ccccc12)[C@@H]1CCS(=O)(=O)C1 1858241945 LULCZGXMTCZXMI-QGZVFWFLSA-N 451.508 2.107 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)CN2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)nc1C 1858634976 LHTSTZKKIQJHCC-UHFFFAOYSA-N 499.014 2.393 30 10 JEEE C=CCNC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)c1ccc2c(c1)C(=O)N(CCCOC)C2=O 1861514811 JWVFGQSQNRLKKX-NRFANRHFSA-N 467.497 2.102 30 10 JEEE CC(C)(C)OC(=O)N(CCC(=O)N[C@@H](CO)C(=O)Nc1cccc(C#N)c1)Cc1ccncc1 1867084597 DLHSEPWIEZJVJQ-FQEVSTJZSA-N 467.526 2.196 30 10 JEEE CN(C)[C@@H](CNC(=O)[C@@H](Cc1ccccc1)N=C1NS(=O)(=O)c2ccccc21)c1ccc(O)cc1 1869931759 HCQYUPZXQIDNPO-PKTZIBPZSA-N 492.601 2.461 30 10 JEEE COc1ccc(CCN2C[C@@H](C(=O)Nc3c(C#N)nnn3Cc3ccc(C#N)cc3)CC2=O)cc1OC 1870109194 MPNOEFGTEPUACY-FQEVSTJZSA-N 499.531 2.117 30 10 JEEE C=CCNC(=O)c1cc2c(N3CCN(Cc4ccc5c(c4)OCO5)CC3)ncnc2n1CCOC 1873589510 MGEGMDRBTZWKIW-UHFFFAOYSA-N 478.553 2.044 30 10 JEEE COC(=O)c1ccc(CSc2nnc(CNC(C)=O)n2/N=C/c2ccccc2[N+](=O)[O-])o1 1874433180 MBHNGCWBELSKOG-ZVBGSRNCSA-N 458.456 2.377 30 10 JEEE COc1cc(/C=N/n2c(CNC(C)=O)nnc2SCC(=O)NC2CCCCC2)cc(OC)c1O 1874433913 DBRYZJYTCADSTE-BHGWPJFGSA-N 490.586 2.060 30 10 JEEE COc1cc(C=CC(=O)OCC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)ccc1OCC#N 2042437998 KPGHEZUBGPODCH-UHFFFAOYSA-N 487.534 2.351 30 10 JEEE CN1C[C@H](C(=O)N2CCC[C@@H](B3OC(C)(C)C(C)(C)O3)C2)N(C(=O)OC(C)(C)C)CC1=O 2124531088 BIHXKMSYKRTTIL-HZPDHXFCSA-N 451.373 2.149 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@@H](C(=O)NCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2185171714 GTGPASBFFXGEHR-SFHVURJKSA-N 460.380 2.486 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](NC(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2255803720 SKFMPPZFFXEYHW-JKSUJKDBSA-N 452.382 2.147 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]1CNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2255955663 RKNYZIOUZPGIHE-LSDHHAIUSA-N 472.438 2.380 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CN(C(=O)c2ccsc2B2OC(C)(C)C(C)(C)O2)CC[C@@H]1CO 2267167458 GOCYAZNSRDRKTE-ZBFHGGJFSA-N 466.409 2.395 30 10 JEEE CC(C)(C)OC(=O)N1CC(F)(CNC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2267171827 PGNODPKHTMQDIY-UHFFFAOYSA-N 453.295 2.209 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CN(C(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)CCO1 2267174779 WOBKOPNNEGORLX-ZFWWWQNUSA-N 467.397 2.197 30 10 JEEE Cn1nc(C(=O)N2CC(C)(CNC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2267180448 DXVCOGLFRHZYQU-UHFFFAOYSA-N 468.791 2.360 30 10 JEEE CC(C)(C)OC(=O)NCC(F)(F)CNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2267462872 FYNDIGTWNAYQFZ-UHFFFAOYSA-N 497.395 2.022 30 10 JEEE C[C@H]1[C@@H](NC(=O)C(F)(F)F)[C@H](C)CCN1C(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2267478513 YZOYWEWEWZQIQU-MDZLAQPJSA-N 461.315 2.360 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)CCCO1 2267535233 UJCVEPUAWDUBCX-AWEZNQCLSA-N 467.397 2.198 30 10 JEEE CS[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2267598008 YQYRVIULENDFRO-IAGOWNOFSA-N 463.409 2.462 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2C[C@@H](C(=O)N=c3nc(B4OC(C)(C)C(C)(C)O4)[nH]s3)C[C@H]21 2268716761 VLTLRQRMOCTCEK-REWJHTLYSA-N 464.397 2.137 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CO)CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(F)cc1Cl 2270446554 FWSISBNJJAQPPZ-LBPRGKRZSA-N 472.750 2.394 30 10 JEEE Cn1ncc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)[C@@H]3CCC[C@H]23)c1B1OC(C)(C)C(C)(C)O1 2281816675 ZZPPULWFYMQPPW-DJIMGWMZSA-N 460.384 2.237 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](CNC(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1O 2281935019 URDSWKDGNPYWCP-IPELMVKDSA-N 460.380 2.380 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)Nc1n[nH]c(CN(C)C(=O)OC(C)(C)C)n1 2281968334 WHDFOHICAKJTOG-UHFFFAOYSA-N 478.384 2.488 30 10 JEEE Cc1c(C(=O)NC[C@@H]2[C@@H](C)CCN2C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281992009 IHBKPBSXLPCAGT-GOEBONIOSA-N 462.400 2.403 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2occc2B2OC(C)(C)C(C)(C)O2)C[C@@]12CCOC2 2282036913 PADSXZPHLXECFI-NPMXOYFQSA-N 462.352 2.477 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H]3CCN(Cc4ccccc4)C[C@@H]3C2)n1 2282046834 QGZXNEMEIPOCHG-WOJBJXKFSA-N 450.392 2.313 30 10 JEEE Cn1cc(C(=O)N[C@H]2CC[C@H]3C[C@H]2CN3C(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2282048478 MFHDDSNINQNSDY-JYJNAYRXSA-N 460.384 2.237 30 10 JEEE C[C@H]1CN(C(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)C[C@@H](C)N(C(=O)OC(C)(C)C)C1 2282066558 KAAQVOUZZQCMST-JKSUJKDBSA-N 462.400 2.437 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCCN(OC)C(=O)OC(C)(C)C 2282494440 ZGKVNBNVLSIWDC-UHFFFAOYSA-N 486.396 2.071 30 10 JEEE CC(C)(C)OC(=O)N1CC(CNS(=O)(=O)c2c(F)cc(F)cc2B2OC(C)(C)C(C)(C)O2)C1 2282496153 WNQPMTAFRBHGJT-UHFFFAOYSA-N 488.362 2.409 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@]2(C1)CN(C(=O)c1coc(B3OC(C)(C)C(C)(C)O3)c1)CCO2 2282532056 RVQRTHZVGCDYJM-QHCPKHFHSA-N 462.352 2.431 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(C(=O)OC(C)(C)C)[C@H]2COC[C@H]21 2282597567 HXLHFAJVGUNAAY-CABCVRRESA-N 479.408 2.211 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H]2COC[C@@H](C1)N2C(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2282622894 AZGAMKYCWJYBAZ-LSDHHAIUSA-N 479.408 2.293 30 10 JEEE CC(C)(C)OC(=O)N1[C@@H](C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)COCC1(C)C 2283948118 JDVBSVHILJEKGY-OAHLLOKOSA-N 481.424 2.473 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1CCc2ccc(B3OC(C)(C)C(C)(C)O3)cc21 2283950937 QRTZLGWHVIYZDW-IEBWSBKVSA-N 458.364 2.245 30 10 JEEE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1[C@H]2CSC[C@H]1CC(=NO)C2 2296351238 WFYKDWRMPDWIBE-HUUCEWRRSA-N 451.570 2.049 30 10 JEEE CCCNC(=O)CSc1nnc(CCOC)n1N=Cc1cc(Br)c(O)c(OC)c1 2331260090 KIPKVHRAXVSIHG-UHFFFAOYSA-N 486.392 2.444 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@]2(C(=O)Nc3ccnc(B4OC(C)(C)C(C)(C)O4)c3)CO[C@H]1C2 2359392374 JSHYPGCTNVGLSY-PBPSECFOSA-N 459.352 2.392 30 10 JEEE COc1ccc(C(=O)CSc2n[nH]c(N/N=C/c3c(C)nn(CCO)c3C)n2)cc1OC 59887642 GULJDXXISSIEFT-UFFVCSGVSA-N 459.532 2.049 30 10 JEEE C#CCN(C(=O)c1ccc(OC)c(S(=O)(=O)Nc2ccc(C)cc2)c1)[C@@H]1CCS(=O)(=O)C1 729330643 GTRAFIFDBGFEQH-LJQANCHMSA-N 476.576 2.067 30 10 JEEE C=CCn1c(S)nc2cc(C(=O)N3CCC[C@](O)(Cc4nc(CC)no4)C3)ccc2c1=O 856701589 VNJGMQDGDRULEB-QFIPXVFZSA-N 455.540 2.026 30 10 JEEE C=CCn1c(S)nc2cc(C(=O)N[C@@H]3CC(=O)N(c4ccc(OC)cc4)C3)ccc2c1=O 1183952553 LOVMRARPELENTQ-OAHLLOKOSA-N 450.520 2.415 30 10 JEEE C=CCC[C@@H](NS(=O)(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1)C(=O)OCC 1211881634 YRHBDOAPIHGNBM-GOSISDBHSA-N 458.602 2.346 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(C)(C)N1CCOCC1 1286295616 JRRBAESJOLFBAC-RTBURBONSA-N 476.622 2.155 30 10 JEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1286383625 YJLKCJFFXQWEQM-KRWDZBQOSA-N 495.527 2.208 30 10 JEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1C[C@@](C)(O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1286391933 FZRRBIOIBAXPGT-DENIHFKCSA-N 463.003 2.310 30 10 JEEE C#CCN(c1nnc(CC)n1C[C@@H](C1CC1)N(C)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1286395636 RZLYDYPRWURBAA-YADHBBJMSA-N 455.628 2.378 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1CN(CC)CC 1286409323 KDHJEGMXEGWDEZ-QFIPXVFZSA-N 453.612 2.143 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCC(C)(C)O 1286462551 LYOXEKOAAZBIIX-UHFFFAOYSA-N 452.559 2.483 30 10 JEEE C#CCN(CCOC)c1nnc(COc2ccc(Cl)cc2)n1C[C@@H]1CCCS(=O)(=O)C1 1286468753 IPAQGBWLXATDOE-KRWDZBQOSA-N 466.991 2.421 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(F)c(COC)c2)CC1 1286492453 FXFMPOUCCCTCEE-FQEVSTJZSA-N 469.561 2.472 30 10 JEEE C=C(C)COCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1286605156 IHAMGKIJNJGHFW-OAQYLSRUSA-N 470.599 2.414 30 10 JEEE C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)OC2(CCOCC2)C1)c1ccccc1 1286614960 FKQUQJNTBFAYMU-MOPGFXCFSA-N 475.615 2.376 30 10 JEEE C=CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1286773637 WVRDHTCLBBEIDW-UHFFFAOYSA-N 457.560 2.078 30 10 JEEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 1286776969 PUKDFAAITYDXDS-UHFFFAOYSA-N 485.658 2.273 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1286778523 BSYNAMNZSPJFPP-OXJNMPFZSA-N 469.521 2.171 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(CC(C)C)CC1 1286788021 ONGJYGYUTAKUQQ-FQEVSTJZSA-N 489.665 2.473 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C)C(=O)[C@H]1C 1286817050 OPHAYOAZJQJNMT-CYBMUJFWSA-N 455.943 2.005 30 10 JEEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]2CCC[C@H]21 1286831719 JOWRAIRFULTPLC-KURKYZTESA-N 455.650 2.299 30 10 JEEE C=CCSCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1286834168 BYHJJDPMAGKRBH-MSOLQXFVSA-N 476.672 2.346 30 10 JEEE CCO[C@]1(c2nnc(N(CCC#N)CC3CC3)n2C[C@@H]2CCCCS2(=O)=O)CCOC1 1296568863 HSLICZBWWDWABN-GHTZIAJQSA-N 451.593 2.028 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Sc1ccccc1 1300309761 VKEDYUNDJCQTGL-SCTDSRPQSA-N 463.629 2.250 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCN1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 1300484463 PTODNVBPMRRBLV-PZJWPPBQSA-N 487.601 2.446 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1Cc1cnccc1OC)[C@@H]1CCS(=O)(=O)C1 1300489553 OUGICTHGEGHENM-LJQANCHMSA-N 451.552 2.332 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1Cc1csc(COC)n1)[C@H]1CCS(=O)(=O)C1 1300497715 CLPSMCIIFBFEMF-IBGZPJMESA-N 489.598 2.286 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1C[C@H]1NC(=O)CC1(C)C)[C@H]1CCS(=O)(=O)C1 1300504361 MPNMCYZBQBHVHH-PZJWPPBQSA-N 499.637 2.015 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H]2CCCO[C@H]2C(C)C)CC1 1300716344 LDEINRDBFBHYBM-MCEYFSPLSA-N 487.645 2.347 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCc2nccc(C(F)(F)F)n2)CC1 1300719726 NWFHLPYVASTMND-UHFFFAOYSA-N 486.502 2.301 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](OC)C(C)(C)C)CC1 1300729429 ZKSYDSMLGYYDOQ-HXUWFJFHSA-N 455.607 2.167 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1300876005 PFLMHGQHRFEANT-FPOVZHCZSA-N 475.615 2.407 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1300895493 ABJCFLVMYHYPND-XMSQKQJNSA-N 493.605 2.446 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](OC)[C@@H](C)CC)CC1 1301127083 YJHGFYXMZIYSRM-WDSOQIARSA-N 455.625 2.075 30 10 JEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 1301258007 JCRDSWMGSNSENS-VQTJNVASSA-N 462.620 2.428 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(N2CCOCC2)CCCCC1 1301390665 MIQGUBUDILHJGJ-HXUWFJFHSA-N 463.648 2.394 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1301485153 SAHDFCOZSWWHAY-DJJJIMSYSA-N 482.404 2.456 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1301490444 TWQBLMBGFNPVQP-NRFANRHFSA-N 493.656 2.333 30 10 JEEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@H](C)C(C)(C)C1 1301497664 ZTRFVEBUQQCJHO-INIZCTEOSA-N 459.620 2.413 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1301515725 YNGXFUXWKLHJEW-UHFFFAOYSA-N 479.585 2.114 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC2(CC1)COC(=O)N2 1301569481 XIGXRLZADLPZGR-INIZCTEOSA-N 493.561 2.237 30 10 JEEE C#Cc1cccc(N(CC)CC(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)c1 1307575700 HFKADNMDMNVSFN-UHFFFAOYSA-N 457.552 2.162 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1nnnn1CC1CC1 1358887796 CAQWVHZNYAZMMU-SJLPKXTDSA-N 469.594 2.295 30 10 JEEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCC[C@H]1CCCN1C(=O)OC(C)(C)C 1358939412 WLYMGWCRIQACDJ-DLBZAZTESA-N 468.624 2.137 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@](C)(O)C1CC1)[C@H]1CCS(=O)(=O)C1 1358957086 PHDJOMNQCZWFGT-TXBYWVTISA-N 476.574 2.345 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCc1ccccc1C)[C@H]1CCS(=O)(=O)C1 1358966505 QLAJZGIQXVXTKN-QFIPXVFZSA-N 466.611 2.318 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@H](C)N1CCN(CC)CC1 1358974197 VFTKZGLJVIJZSO-FQEVSTJZSA-N 450.587 2.061 30 10 JEEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CCn1cc([C@H]2CCOC2)cn1 1358986254 RHWUOGCZZFIBKY-OFVILXPXSA-N 466.586 2.182 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1nnnn1CC1CC1 1358993501 OVOANMBYDIZVQQ-HXUWFJFHSA-N 493.616 2.300 30 10 JEEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1359060285 QJQCAPWZQPLQKM-HRAATJIYSA-N 461.613 2.020 30 10 JEEE C=CCCOCCn1c(COc2cccc(C)c2)nnc1N1CCc2nn(C)c(=O)cc2C1 1359229455 JSEIDZUBGMKYHW-UHFFFAOYSA-N 450.543 2.415 30 10 JEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 1359302675 PVYHTFUIFXBRPD-MRXNPFEDSA-N 473.647 2.313 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1359303988 HNBHVMNLPQAGAC-YADARESESA-N 455.559 2.160 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)CCS(C)(=O)=O 1359328696 LPUZQNKTJKANGV-UHFFFAOYSA-N 486.685 2.357 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCOC(C)(C)[C@H]1C 1359333600 CTUWSNMCMIONTH-QGZVFWFLSA-N 458.588 2.121 30 10 JEEE CCC[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1499942601 DOXAZWYMELYDIH-JOCHJYFZSA-N 460.604 2.276 30 10 JEEE COCCn1cc(Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CCO[C@H](C#N)C2)cn1 1504896458 DEBOXZHHLNFMEL-OXJNMPFZSA-N 455.494 2.177 30 10 JEEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(OC(C)C)nc2)CC1=O 1504913331 HKUVYSDOLOLICC-UHFFFAOYSA-N 475.553 2.342 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@](C)(O)[C@H](C)CC)c1 1507548494 SPBQTWVZSZINDT-CJAUYULYSA-N 466.586 2.367 30 10 JEEE C#CCCCCn1c(COc2ccccc2OC)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1507570501 FHMTWFBODSCMPV-RUZDIDTESA-N 480.569 2.484 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1C[C@@H]1CCCCS1(=O)=O)[C@@H]1CCS(=O)(=O)C1 1507626058 CMGKDPQXXAIVEK-RTWAWAEBSA-N 490.651 2.102 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCN1CCOC(C)(C)C1 1507668188 WMQNVBKKEIYREI-UHFFFAOYSA-N 487.608 2.249 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC[C@H](OC)C(F)(F)F)CC1 1507720200 SSIMMQCRPQUOTQ-FXAWDEMLSA-N 459.513 2.041 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@](C)(O)c2cc(C)oc2C)CC1 1507721109 YOWNTESWCHVIAF-DQEYMECFSA-N 471.602 2.191 30 10 JEEE C#CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)Cc1cnn(C)c1C 1507750877 HBSRFVOCFFWHSE-UHFFFAOYSA-N 465.631 2.497 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCC(NS(C)(=O)=O)CC1 1507801372 UTBBVOZCNDDHIW-YLJYHZDGSA-N 460.604 2.148 30 10 JEEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1507844966 UGBPROPBKCFOBR-SFHVURJKSA-N 455.625 2.015 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1([S@](C)=O)CC1 1507996032 FUJCFWCCPJDVOD-OKXSDPAFSA-N 478.640 2.293 30 10 JEEE C=CCn1c(COc2ccc(Br)cc2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1508065541 IEGQCZFKRMVATG-INIZCTEOSA-N 470.393 2.324 30 10 JEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 1508086460 ZDDQNRLQZOBICB-OAHLLOKOSA-N 475.619 2.382 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccncc3)n2C[C@H](N2CCOCC2)C(F)(F)F)C1 1508128087 OQSZCGGNLOGYCQ-MOPGFXCFSA-N 466.508 2.308 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C(C)C)CC1 1508134661 HFRDNSAOOOTTNQ-UHFFFAOYSA-N 471.425 2.167 30 10 JEEE C=CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1508160470 UPQGXMKXVXNUDG-QZTJIDSGSA-N 455.650 2.096 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(C)(C)N1CCOCC1 1508420606 AJHUOYZJVYFKNG-IBGZPJMESA-N 467.622 2.159 30 10 JEEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1CCNS(=O)(=O)CC 1539031342 ZYBKXGOSUJLNAH-AWEZNQCLSA-N 470.393 2.017 30 10 JEEE C#CCCCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1539076953 YLFRUONXRCPUOD-UHFFFAOYSA-N 466.561 2.083 30 10 JEEE C#CCCCn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)N(C)C2CCCCC2)CC1 1539119704 MKRLHBDOVGJCGW-NRFANRHFSA-N 456.635 2.499 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CC[C@@H]1CCO[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1539224017 BRRXQWIPSURVMC-QKNQBKEWSA-N 457.600 2.096 30 10 JEEE C#CCN(c1nnc(CC2CCCC2)n1Cc1ccc(N(C)C)nc1)[C@@H]1CCS(=O)(=O)C1 1539226020 SLWZGTCGVYTVDD-HXUWFJFHSA-N 456.616 2.147 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@]2(O)CCC[C@@H]2C)CC1 1539428507 SHZKUHXFCWYKGA-MHECFPHRSA-N 471.005 2.168 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H](C(C)C)N2CCOCC2)CC1 1539453332 ICIBGUABTCYGEA-QHCPKHFHSA-N 454.594 2.120 30 10 JEEE C=C(C)COCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1539722475 NXYQBTCMPCSMBT-IEBWSBKVSA-N 472.977 2.169 30 10 JEEE N#Cc1ccc(N2C[C@@H](C(=O)N(Cc3ccccc3F)[C@@H]3CCS(=O)(=O)C3)CC2=O)cc1 1540022483 DKBJAWIUSGKBBX-AZUAARDMSA-N 455.511 2.266 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@]2(CCOC2)C1 1540863614 ZJXUULZLKSRUQU-OPAMFIHVSA-N 461.950 2.369 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1540867297 QXCNDWBORABPNY-INIZCTEOSA-N 488.346 2.279 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1540903864 IXMZRPGRHHHNFO-RTBURBONSA-N 453.653 2.015 30 10 JEEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(c2ccnn2C)CC1 1548315990 GMVSHRPTVAMEQA-UHFFFAOYSA-N 453.572 2.369 30 10 JEEE N#Cc1ccc(N2CCC3(CC2)CN(C(=O)c2ncccn2)C[C@@H]3C(N)=O)cc1C(F)(F)F 1548375576 RBHMXTIIEIDBOD-QGZVFWFLSA-N 458.444 2.211 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@@H]1CCC[C@@H](O)C1)[C@H]1CCS(=O)(=O)C1 1588058817 CXXPHOCXXYNITN-YZGWKJHDSA-N 460.575 2.186 30 10 JEEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(CCCc3ccccc3)C[C@@H]2CC(C)C)C1=O 1588145143 NDSVDKYQARAMEP-NRFANRHFSA-N 454.571 2.155 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H]2CCCO2)CC1 1588908884 YEPCACYPKKQWIN-IBGZPJMESA-N 453.543 2.107 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCSCC#C)CC1 1588930002 KVAMCXRWMDYVLU-OAQYLSRUSA-N 465.579 2.123 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2cnccn2)CC1 1589484158 RMIPXAAVFJLDPC-NQIIRXRSSA-N 468.606 2.294 30 10 JEEE C=C(C)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 1589715671 PPABXEFVAUOWSI-HNNXBMFYSA-N 468.649 2.382 30 10 JEEE C=CC1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@H](C)N2CCOCC2)CC1 1594202246 IQSXJPWNEISRII-LJQANCHMSA-N 488.658 2.319 30 10 JEEE C=CCN(CC=C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H]1CCCN1S(C)(=O)=O 1595205459 VSPJTVSJYRIRNP-MRXNPFEDSA-N 469.571 2.196 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1595477478 VMWNJCUORIEWAV-PZJWPPBQSA-N 485.608 2.076 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(N(C)C(C)=O)CC1 1595765487 BFRVJOXQRJILMQ-UHFFFAOYSA-N 499.435 2.084 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1C[C@@H](C)[C@@H](C)C1 1595766835 YNBCHCBDWOPFNK-IYBDPMFKSA-N 480.660 2.240 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1595777484 NXFLJCGCRCNBDK-NRFANRHFSA-N 473.643 2.403 30 10 JEEE C=CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@H](C)C(=O)NC 1595883906 DDBZFYLOCWPVTG-IRXDYDNUSA-N 482.651 2.324 30 10 JEEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@H]2CCCOC2)c1 1617705732 FELUMBWUDWZBDN-IIBYNOLFSA-N 462.551 2.064 30 10 JEEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)CC(=O)N1CCC[C@H](C(=O)OCC)C1 1631845078 JTVNTPAORHLLJR-ZWKOTPCHSA-N 453.580 2.496 30 10 JEEE COc1ccccc1-n1cc(S(=O)(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cn1 1661362030 GJBUWXHWFAGGRA-IBGZPJMESA-N 451.508 2.226 30 10 JEEE C#CC1(O)CCN(C(=O)NCc2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)cc2)CC1 1687574837 WUFJSLGOOMBDFD-UHFFFAOYSA-N 456.587 2.409 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OCC)CCOC3)n2CC2(N(C)C)CCC2)c1 1689868448 HJGVFMLTHDWEMK-SANMLTNESA-N 480.613 2.471 30 10 JEEE C#CCCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCO[C@@H](C(=O)NC)C1 1689888258 FHDYIXURROLNFT-RTBURBONSA-N 474.606 2.147 30 10 JEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H](C)N1CCC[C@@H](C)C1 1689951088 LLVRGEUEOBJLHZ-RTBURBONSA-N 458.632 2.385 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1Cc1ccc(C)n(C)c1=O)[C@H]1CCS(=O)(=O)C1 1689983975 IRGPWNKACKKREA-FQEVSTJZSA-N 485.997 2.281 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1C[C@H]1CCCN(C(C)=O)C1)[C@@H]1CCS(=O)(=O)C1 1689984755 USGVDTLLDKCGTP-JTHBVZDNSA-N 483.638 2.393 30 10 JEEE C#CCSCCn1c(COc2ccccc2OCC)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1690185442 ZFEPZKQMMJRYJW-ZWKOTPCHSA-N 455.584 2.337 30 10 JEEE C=C(Br)Cn1c([C@H]2CCOC2)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1690229006 LDQKDXMDKWMNOQ-AWEZNQCLSA-N 460.332 2.423 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccc2C)nnc1N1CCN(CC(=O)NCC)CC1 1690243228 IMKXYDFEUZQDTJ-NFBKMPQASA-N 452.603 2.493 30 10 JEEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)CC2CCCCC2)CC1 1690275095 UFCHRPHDRWGFLR-KRWDZBQOSA-N 452.625 2.083 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cc(C(C)(C)C)no2)CC1 1690410981 CEQUNZMZPRQMKV-GOSISDBHSA-N 478.619 2.347 30 10 JEEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](c2ccccc2)C1 1690508289 FPYIWCMDUTVYJK-LEWJYISDSA-N 475.615 2.198 30 10 JEEE C=CCCOCCn1c(N2C[C@@H]3[C@H](C2)[C@H](NC(=O)OC(C)(C)C)CS3(=O)=O)nnc1C(C)(C)C 1690511045 NTUZBNSSBNNVPG-KZNAEPCWSA-N 497.662 2.295 30 10 JEEE C=CCN(CCOC)c1nnc(-c2cccc3cccnc23)n1CCN1CCCS1(=O)=O 1690615852 UWSIULGKGZJKHH-UHFFFAOYSA-N 456.572 2.168 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3Br)n2CCNS(C)(=O)=O)C1 1690691533 GCXNIHNHZMZRTR-AWEZNQCLSA-N 470.393 2.038 30 10 JEEE CC(C)CC[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1692288947 FCGGWZYLDUJKHA-HSZRJFAPSA-N 474.631 2.476 30 10 JEEE N#Cc1ccc(-c2nnc(N3CCC[C@H](CC(N)=O)C3)n2C[C@@H](N2CCOCC2)C(F)(F)F)cc1 1698487136 BKXPYEMFVZKNOZ-IEBWSBKVSA-N 491.518 2.172 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1CCOCCC(C)C)[C@@H]1CCS(=O)(=O)C1 1705562840 LOKYZKHSULUPFD-HXUWFJFHSA-N 488.610 2.406 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@H]1CCCN1CC)[C@H]1CCS(=O)(=O)C1 1705569992 JDVIZOYDNVOXQL-RTWAWAEBSA-N 459.591 2.119 30 10 JEEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1C[C@H](c1ccccc1OC)N1CCCC1 1705585125 LHOSZGODUXMEEY-JOCHJYFZSA-N 460.582 2.319 30 10 JEEE C#CCN(CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1705609632 KWRWSKRWSQZCFL-HXUWFJFHSA-N 466.586 2.119 30 10 JEEE C#CCN(CCOC)c1nnc(COc2ccc(Br)cc2)n1C[C@]1(O)CCO[C@@H]1C 1705630232 LFEJOXQHLZMXDV-IIBYNOLFSA-N 479.375 2.246 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2cccc(NC(=O)OC)c2)CC1 1705642357 QMODLYVJLXFCSV-UHFFFAOYSA-N 493.593 2.251 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2CCO[C@@H](C)C2)CC1 1705644878 DUKCJNCILUOTJH-RLSLOFABSA-N 473.618 2.100 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](CC)c2ccccc2)CC1 1705648310 QPAQRVVXJABCPB-UGKGYDQZSA-N 483.638 2.340 30 10 JEEE C=CCCOCCn1c(C(C)C)nnc1N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 1705825424 SVRHTXDAJFTMJQ-UHFFFAOYSA-N 457.604 2.386 30 10 JEEE C=CCCOCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1705831900 GWWMVMPHDLVMPK-VGSWGCGISA-N 461.588 2.247 30 10 JEEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1705885684 CYWJMGJQPRZIBL-UHFFFAOYSA-N 465.945 2.405 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1705898097 ANFJCNIWKGZFJN-WBMJQRKESA-N 493.337 2.084 30 10 JEEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1705906703 MILDRNCOWBLLRE-UHFFFAOYSA-N 480.529 2.414 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1705906889 RUFGBNOSWRCBSS-DVECYGJZSA-N 455.559 2.160 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(COc3cccc(C)c3)n2CC2(C(N)=O)CCOCC2)C1 1705929433 QJAAVEGTKKFQCE-FQEVSTJZSA-N 455.559 2.229 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 1705936113 KHBLFUJDVUVZLR-QGZVFWFLSA-N 483.635 2.219 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](C[C@H]2CCOC2)C1 1705937804 FKZJEIOSSRFMCO-LEWJYISDSA-N 476.647 2.384 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2OC)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1705938266 SVHZELMOAFBSSW-MOPGFXCFSA-N 476.599 2.472 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc(CNC(=O)c2cccs2)n1CCCN1CCCO[C@H](C)C1 1706076851 DGGFBVFNOJEUOO-ZWKOTPCHSA-N 459.620 2.366 30 10 JEEE C[C@H](CC#N)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCCN1CCC(O)CC1 1706743704 DVQYEGXXXAHZJS-QGZVFWFLSA-N 474.009 2.447 30 10 JEEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CC[S@](=O)C(C)(C)C 1706832109 HYNFCCPIHHPBBN-WNNBVUDTSA-N 451.618 2.233 30 10 JEEE C[C@H]1C[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)CCO1 1707983987 HJULDWBRNKXVHR-LNLFQRSKSA-N 458.588 2.102 30 10 JEEE COC(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2C[C@@H](C)O[C@H](C)C2)C1 1711444366 IEDIWZSTZSJNNT-DBXWQHBBSA-N 452.559 2.315 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc(C)o3)n2C[C@H]2CCCN2S(C)(=O)=O)c1 1722305560 RZMNMMATULJNAL-HXUWFJFHSA-N 496.593 2.327 30 10 JEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(OC2CCCC2)CC1 1722317699 WGWVNEIPXVWQKX-NRFANRHFSA-N 479.647 2.343 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1722371154 UHXWGNFJYSMNMT-ZWKOTPCHSA-N 462.547 2.192 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(Br)cn2C)n1CCCN(CC)S(C)(=O)=O 1722394914 KAGNBNIXZOQOCT-UHFFFAOYSA-N 495.447 2.181 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2ncccc2N(C)C)CC1 1722441237 OJUIIJWMTHJGQE-BGYRXZFFSA-N 494.644 2.313 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Br)n2C[C@]2(C)CN(C)C2=O)CC1 1722445308 PDZUFURNSHXCGB-QHCPKHFHSA-N 499.413 2.152 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2CC2(O)CC(OCC)C2)CC1 1722445740 XAJJHSHXUHZHCA-UHFFFAOYSA-N 451.571 2.149 30 10 JEEE C=CC1CCN(c2nnc(-c3cccc(OC)c3)n2CCNS(=O)(=O)Cc2ccon2)CC1 1722576642 RNPOPCVEWUCGDR-UHFFFAOYSA-N 472.571 2.464 30 10 JEEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(c2ccc(F)cc2)CCOCC1 1722631316 JZTDODIIQGLEOK-INIZCTEOSA-N 451.568 2.398 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc(-c2cccn2C)n1CC1(O)CCS(=O)(=O)CC1 1722673607 XGDZBUUNMPXHMQ-UHFFFAOYSA-N 469.611 2.458 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(Cc1ccc(F)cc1)C(C)C 1722727990 MKWHQXUPPWGXQL-SFHVURJKSA-N 484.619 2.335 30 10 JEEE C=CCSCCn1c(N2CCC[C@@H](N3CCCS3(=O)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1722740790 YTRBGHOOVWVYSV-DENIHFKCSA-N 499.703 2.242 30 10 JEEE CC(C)OC1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(C(N)=O)CCOCC2)CC1 1723693996 GNQLTHSGDOLFBV-UHFFFAOYSA-N 452.559 2.493 30 10 JEEE N#C[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CCS(=O)(=O)c2ccccc2)CCO1 1731185654 AXJYLTQMSLDXGF-OAHLLOKOSA-N 491.371 2.238 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@H](C)CN1CCOCC1 1740550577 QQYRJUABSQKEMM-VQTJNVASSA-N 477.613 2.491 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](OC)[C@@H](C)CC)c1 1740562877 NRZMPQIQLKKAIU-FFZOFVMBSA-N 452.559 2.347 30 10 JEEE C#CCCCCn1c(Cc2ccccc2OC)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1740573535 QSTSUBMTRGLMFI-UHFFFAOYSA-N 466.586 2.255 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@](C)(O)c1cc(C)oc1C)[C@H]1CCS(=O)(=O)C1 1740620178 CDHJVBNLWOTMSD-HTAPYJJXSA-N 457.556 2.017 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1oc(CCC)nc1C)[C@H]1CCS(=O)(=O)C1 1740621512 MOFKJZSWGPWUAQ-KRWDZBQOSA-N 454.556 2.264 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H](C)COCc1ccccc1)[C@H]1CCS(=O)(=O)C1 1740621608 OCAIGPHXCVSOAQ-KNQAVFIVSA-N 482.610 2.158 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCc1ccccc1OCC)[C@H]1CCS(=O)(=O)C1 1740628789 ULXNKMIOMTWVKH-PZJWPPBQSA-N 458.584 2.398 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC2(N(C)C)CCCCC2)CC1 1740692781 OXYUNLGHUJOOIT-RUZDIDTESA-N 458.651 2.338 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2Cc2cc(C)nn2C)CC1 1740694753 SNTHBKHTNIHJEK-HXUWFJFHSA-N 482.633 2.238 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H](C)c2nccs2)CC1 1740700909 MZMDXHPGNBOUSX-INIZCTEOSA-N 471.631 2.423 30 10 JEEE C#CCSCCn1c(COc2ccccc2OCC)nnc1N1CC[C@]2(CNC(=O)C2)C1 1740723228 PSTVKLFLQWXXRD-QHCPKHFHSA-N 455.584 2.339 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1740735315 MOIDQFAKMZUWNY-FZONSQQESA-N 463.648 2.470 30 10 JEEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1740793843 MSWGQFSYYDSYBI-ZRZAMGCNSA-N 495.672 2.483 30 10 JEEE C=CC[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](OC)[C@H](OC)C1)c1ccccc1 1740856808 XJXWPDAILLOMRG-XSDIEEQYSA-N 460.600 2.390 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@@H](C)CCSC 1740959213 NUKCQCMVGFVFLA-HNNXBMFYSA-N 455.588 2.072 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccn3C)n2C[C@H](N2CCOCC2)C(F)(F)F)C1 1740976662 MVFOVQIGFUCFDL-AEFFLSMTSA-N 454.497 2.328 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCS(C)(=O)=O)C1 1740980942 TVILUEMIXKWJGG-MSOLQXFVSA-N 483.635 2.219 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(CC(C)C)CC1 1740988951 UWZBMKCVECGAIY-UHFFFAOYSA-N 475.615 2.095 30 10 JEEE C=CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1740995853 ZOEYLIBDMABQCT-FQEVSTJZSA-N 472.615 2.408 30 10 JEEE CC(C)OCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1741762402 ASHNPLWHTALOOB-OAQYLSRUSA-N 454.575 2.312 30 10 JEEE Cc1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(CC(=O)NC(C)C)CC2)cn1 1742225503 DBVLYFNROYXFQB-UHFFFAOYSA-N 458.570 2.215 30 10 JEEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1748703092 IVBNUMMWWJWBSA-OAQYLSRUSA-N 471.627 2.453 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H](C)N(C)C1CC1 1748882501 VKRRJNHGUXAXFL-LJQANCHMSA-N 468.627 2.141 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC(=O)N[C@@H](C)CC 1748945054 KYKSVXMDNJRSQY-PKOBYXMFSA-N 475.590 2.264 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(F)cc3Br)n2CCNC(=O)C(C)C)CC1 1748984861 UJKCJYFUQBOYPY-UHFFFAOYSA-N 477.382 2.374 30 10 JEEE C#CCN1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CC(C)(C)SC)CC1 1748990276 WRLFHHTXZJMTRL-UHFFFAOYSA-N 454.648 2.349 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@H]2CCCOC2)CC1 1749018597 AMSYUOHFENYWTP-GOSISDBHSA-N 455.534 2.389 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)CC1 1749018647 BWBUCKMKUWDDHW-QGZVFWFLSA-N 462.595 2.036 30 10 JEEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1ccc(CC)o1 1749037574 FUOFBDFOTSPZSB-AZUAARDMSA-N 493.655 2.474 30 10 JEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C[C@H]2CCOC2)C1 1749428094 YOJZPGGNMPOQDZ-AQNXPRMDSA-N 467.636 2.220 30 10 JEEE C=CCCOCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@](C)(C(=O)NC)C1 1749457706 OQPVDNKTBHUGHS-HOYKHHGWSA-N 492.621 2.142 30 10 JEEE C=CCN(C)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1CC1(O)CCS(=O)(=O)CC1 1749465770 ICIBPDXJEJBCNH-KRWDZBQOSA-N 464.588 2.379 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCN(CC)C1 1749553060 DVMNLPCAFSWAEQ-AZUAARDMSA-N 494.687 2.207 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCN(c3ccccc3F)C2)C1 1749699052 YYVRACDKQDBFEG-GBESFXJTSA-N 492.621 2.335 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCC([C@H]3CCOC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1749739354 AVRPLBKRVRCBMO-REWPJTCUSA-N 482.647 2.172 30 10 JEEE C#CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H](C)CN1CCOCC1 1760172572 UAZGGVYGDUDBQY-IBGZPJMESA-N 460.623 2.430 30 10 JEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H](CC)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1760179582 UVDZLEIVICZKIS-TZIWHRDSSA-N 469.611 2.335 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1CC(=C)Cl)[C@H]1CCS(=O)(=O)C1 1760185258 UBZPZDQFLLNYCR-HNNXBMFYSA-N 450.948 2.342 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@@H](c1ccco1)N(C)C)[C@H]1CCS(=O)(=O)C1 1760188991 FABQSJZJFFNJOQ-OALUTQOASA-N 473.624 2.453 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)NCC(F)F 1760336722 HNLOBBSJBHMBQR-HNNXBMFYSA-N 472.537 2.370 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCC1CCOCC1 1760336835 KBJITCIBUFPKGI-LJQANCHMSA-N 455.625 2.220 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cnn(CC)c1 1760487557 XQSNSBZRLMYXIN-IBGZPJMESA-N 491.643 2.130 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1)C(C)C 1760489744 JDLWPLDWSCXWDO-HULNYRCFSA-N 472.634 2.312 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN(c2nc(C)cc(OCC)n2)CC1 1760525736 PEDRNJOKFYYUMB-UHFFFAOYSA-N 482.614 2.056 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1760548708 NICKJWNVLNNOLY-FCEWJHQRSA-N 493.561 2.093 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1760551155 VIRCHJZPUBQKIV-BSRJHKFKSA-N 476.599 2.327 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CCCN1CCCC1 1761234102 CUOWOTNIWYBUTF-UHFFFAOYSA-N 468.581 2.240 30 10 JEEE COc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(CC#N)CC2)c(OC)c1OC 1768647303 HSIBZUYXSKBPDK-HNNXBMFYSA-N 492.602 2.092 30 10 JEEE CO[C@@]1(C)CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1769704326 HGBOXWXDNPPEHT-KNQAVFIVSA-N 458.588 2.246 30 10 JEEE CS(=O)(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCC2CCOCC2)CC1 1770347781 FJDZKSBGFGPQAB-UHFFFAOYSA-N 488.614 2.017 30 10 JEEE C=CCN(CC=C)C(=O)[C@@H]1CCCN1C(=O)[C@H]1CC(=O)N(CCc2ccc(OC)c(OC)c2)C1 1862163064 YARYBBWGUANBBU-SFTDATJTSA-N 469.582 2.286 30 10 JEEE COc1cc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2C[C@H](C)O)cc(OC)c1O 1862761328 IQOATQJNDKIFDW-BBATYDOGSA-N 458.423 2.277 30 10 JEEE COC(=O)c1ccc(NC(=O)[C@@H](CO)NC(=O)C2CCN([C@H](C#N)c3cccs3)CC2)c(C)c1 1866868543 UYSCOZXMNPOPNB-WOJBJXKFSA-N 484.578 2.236 30 10 JEEE O=C(N[C@H](CO)C(=O)Nc1cccc(C(F)(F)F)c1F)C1CCN(C(=O)C(F)(F)F)CC1 1867291738 QSGDUJUMPUGIDN-GFCCVEGCSA-N 473.345 2.061 30 10 JEEE N#Cc1ccc(NC(=O)CNC(=O)c2cc(-c3cccs3)n([C@@H]3CCS(=O)(=O)C3)n2)cc1 1868145344 PCUCLEORCOMMEH-MRXNPFEDSA-N 469.548 2.211 30 10 JEEE CCCc1nc(Nc2cccc(C#N)c2)cc(N2CCN(C(=O)CCN3CCOCC3)CC2)n1 1868378144 GUMIYHSVKKBVAF-UHFFFAOYSA-N 463.586 2.415 30 10 JEEE CCOC(=O)c1ccc(N2C[C@H](C(=O)Nc3c(C#N)nnn3Cc3cccc(OC)c3)CC2=O)cc1 1870108992 GBZZEFWOZPCWJW-GOSISDBHSA-N 488.504 2.375 30 10 JEEE C=CCn1cc(OCC(=O)Nc2cc(Cl)ccc2OC)c(=O)cc1CN1CCN(C(C)=O)CC1 1870703123 RCYPCMMNDLILQH-UHFFFAOYSA-N 488.972 2.378 30 10 JEEE COc1ccc(CNC(=O)c2nonc2OCC(=O)Nc2sc3c(c2C#N)CCC3)cc1 1872707376 OIIJRVDEGRTMNL-UHFFFAOYSA-N 453.480 2.448 30 10 JEEE C=CCn1c(C(=O)N2CCN(CCO)CC2)cc2c(NC[C@H](O)c3ccc(Cl)cc3)ncnc21 1875230898 ROTVGCQDCVCWLR-NRFANRHFSA-N 484.988 2.166 30 10 JEEE CC(C)N(CC#CCNC(=O)C1CN(c2nc3ccc(S(C)(=O)=O)cc3s2)C1)C(C)C 1889457415 USJKXNXIYHHNJR-UHFFFAOYSA-N 462.641 2.374 30 10 JEEE CCN1CCN(CC#CCOC2CCN(C(=O)[C@@H]3CC(=O)N(c4cc(C)ccc4C)C3)CC2)CC1 1889528103 HKOYFAUAPHWJRF-XMMPIXPASA-N 480.653 2.305 30 10 JEEE COc1ccc(O[C@@H](C)C(=O)N2CCC(OCC#CCN3CCN(C(C)C)CC3)CC2)cc1 1890336073 VKLUYJBVFNRQQB-QFIPXVFZSA-N 457.615 2.500 30 10 JEEE CCN1CCN(CC#CCOC2CCN(C(=O)c3cccn(Cc4ccccc4F)c3=O)CC2)CC1 1890470443 UVEUDPMXGUYVAR-UHFFFAOYSA-N 494.611 2.298 30 10 JEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)N1CCC[C@@H](B2OC(C)(C)C(C)(C)O2)C1 2180985767 SWJCMHFVAHDOBD-IAGOWNOFSA-N 486.440 2.495 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2CCO[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)C1 2255196242 BHQCHJOTSUGZSP-NKHRDFEZSA-N 451.564 2.434 30 10 JEEE Cc1nn(C)c(C(=O)N[C@H]2CC[C@@H]2NC(=O)OCc2ccccc2)c1B1OC(C)(C)C(C)(C)O1 2255827717 LSPINTUERZFNTG-ROUUACIJSA-N 468.363 2.215 30 10 JEEE CC(C)(C)OC(=O)NCC1(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)CC=CC1 2256640081 RDKSVYCLFHPDQD-UHFFFAOYSA-N 450.370 2.059 30 10 JEEE Cc1c(B2OC(C)(C)C(C)(C)O2)csc1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1O 2267108643 IAOKQSTUFUWJFR-HZPDHXFCSA-N 466.409 2.456 30 10 JEEE Cn1cc(C(=O)NCc2csc(NC(=O)OC(C)(C)C)n2)nc1B1OC(C)(C)C(C)(C)O1 2267180315 ZMTUVHJNTNKQJQ-UHFFFAOYSA-N 463.369 2.453 30 10 JEEE CN(C[C@H]1CN(C(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)CCO1)C(=O)OC(C)(C)C 2267280559 ORNKMQKQKDVUTQ-HNNXBMFYSA-N 450.341 2.287 30 10 JEEE CC(C)(C)OC(=O)N1CC(CNS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2267352018 HRBSHNCMDASIPD-UHFFFAOYSA-N 470.372 2.270 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCCN(S(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267378478 PPTIWQUUZDRBFX-INIZCTEOSA-N 467.397 2.059 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1S(=O)(=O)N[C@H]1C[C@H]1CNC(=O)OC(C)(C)C 2267471757 VNFZEFDAAIZBQE-RDJZCZTQSA-N 466.409 2.486 30 10 JEEE CC1(C)OB(c2cnccc2C(=O)N[C@@H]2CCOC[C@H]2NC(=O)OCc2ccccc2)OC1(C)C 2267479917 RSBYTHBJIRPNHI-NHCUHLMSSA-N 481.358 2.195 30 10 JEEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CN(C(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)CCO1 2267537132 ONIKKTLBDGVMDT-HIFRSBDPSA-N 467.397 2.197 30 10 JEEE C[C@H]1C[C@@H](NC(=O)C(F)(F)F)CCN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2267712381 DRZHUQHWDZFODN-RYUDHWBXSA-N 482.355 2.267 30 10 JEEE CC1(NC(=O)OC(C)(C)C)CN(S(=O)(=O)Cc2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267728393 ULRWOPRCNRIJDB-UHFFFAOYSA-N 466.409 2.415 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)c2F)C1 2268796156 CYPNHYWLTREXER-JOCHJYFZSA-N 450.316 2.435 30 10 JEEE CC(C)(C)OC(=O)NCc1nnc2n1CCN(c1cc(B3OC(C)(C)C(C)(C)O3)ccn1)C2 2280762030 FOONYQCVPAPBHS-UHFFFAOYSA-N 456.356 2.017 30 10 JEEE CC(C)(C)OC(=O)NCCOCCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn1C1CC1 2281827225 SPYMQCUYONQMTH-UHFFFAOYSA-N 463.384 2.393 30 10 JEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CCCCCN(Cc3ccccc3)C2)n1 2281954232 VLGKVYCXBRROKE-LJQANCHMSA-N 453.396 2.289 30 10 JEEE Cn1nc(C(=O)NC[C@]23CC[C@H]2CN(C(=O)OC(C)(C)C)C3)cc1B1OC(C)(C)C(C)(C)O1 2281963573 MYNMFEMYCZASFK-WNSKOXEYSA-N 460.384 2.096 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1CN(C)CCN1Cc1ccccc1 2281970792 FKFSZDXEBNJBPQ-IBGZPJMESA-N 470.448 2.297 30 10 JEEE Cn1nc(C(=O)N=S2(=O)CCC(NC(=O)OC(C)(C)C)CC2)cc1B1OC(C)(C)C(C)(C)O1 2281971013 TUWHMBCLMPEMDP-UHFFFAOYSA-N 482.412 2.015 30 10 JEEE Cn1nc(C(=O)N2CCC[C@H]3[C@@H]2CCN3C(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2281977306 NMOCAVAVGHGWQH-IRXDYDNUSA-N 460.384 2.333 30 10 JEEE Cc1c(C(=O)N2C[C@@H]3C[C@H]3[C@H]2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281978558 FOSDIIAXYOUXLJ-ARFHVFGLSA-N 460.384 2.013 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC1(F)CC(CNC(=O)OC(C)(C)C)C1 2282037483 WGHJUDCXWCVRMX-UHFFFAOYSA-N 466.363 2.092 30 10 JEEE CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1F 2282426221 ZOILHDIICJZHPR-IRXDYDNUSA-N 464.343 2.489 30 10 JEEE COc1ccc(S(=O)(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2282506843 YIUYVYFIRQJZHZ-HNNXBMFYSA-N 482.408 2.282 30 10 JEEE Cc1nn(C)c(C(=O)N2C[C@@H](F)C[C@@H]2CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2282573029 UDUZCASOTGLILY-LSDHHAIUSA-N 466.363 2.105 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2282589284 LRCWEZHHQAGTKP-HOCLYGCPSA-N 462.400 2.403 30 10 JEEE Cn1nc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]3CC[C@H]23)cc1B1OC(C)(C)C(C)(C)O1 2282618772 OJRJFULWPZBLGB-BFYDXBDKSA-N 460.384 2.237 30 10 JEEE CCN(C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1)C1CCN(Cc2ccccc2)CC1 2282621817 XHLUFSUJPKPGBH-UHFFFAOYSA-N 453.396 2.241 30 10 JEEE CC1(C)OB(c2ccc(O)c(C(=O)NC[C@@H]3CCCN(C(=O)C(F)(F)F)C3)c2)OC1(C)C 2282977414 ZEUSJYQMFMYXAH-ZDUSSCGKSA-N 456.270 2.222 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)ccc1F 2283963235 KSKFXWMVPUEJEF-SJLPKXTDSA-N 464.343 2.111 30 10 JEEE CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1CCc2c(cccc2B2OC(C)(C)C(C)(C)O2)C1 2284138703 DGVRMBHYKIEJJM-IBGZPJMESA-N 460.380 2.146 30 10 JEEE CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1)C(=O)O 2289798253 LYDYICZVSHTKJP-ZDUSSCGKSA-N 483.396 2.320 30 10 JEEE CCOC(=O)c1ccc(N=C2SC(=CC(=O)OC)C(=O)N2CCCN2CCOCC2)cc1 2294057958 DQTLHBLRTAKXRH-UHFFFAOYSA-N 461.540 2.205 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N1CCc2scc(B3OC(C)(C)C(C)(C)O3)c2C1 2336501270 KEIWLXQSKZNAFF-MRXNPFEDSA-N 466.409 2.208 30 10 JEEE CC(C)CN(CCNC(=O)OC(C)(C)C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2337204117 GXKHVNIDWWMRNG-UHFFFAOYSA-N 450.389 2.342 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 2362353960 ZXLUQCRKDBSWIA-HUUCEWRRSA-N 460.384 2.095 30 10 JEEE CC(C)(C)C(=O)CN(/N=C/N(C=O)CC(=O)c1ccccc1)S(=O)(=O)C1(O)CCCCC1 9086676 QDZGQPVOBQXQDW-XQNSMLJCSA-N 465.572 2.171 30 10 JEEE C/C(=N\Nc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@@H](O)COc1cccc(C)c1)c1ccccc1 33644313 SSNAIGVSWBSOST-AXNZHVIBSA-N 462.510 2.008 30 10 JEEE COc1ccc(CN(/C(O)=N/S(=O)(=O)c2ccc(C)cc2)[C@H]2CCS(=O)(=O)C2)cc1OC 39915142 BISIRNMYEBFWQM-KRWDZBQOSA-N 482.580 2.304 30 10 JEEE COc1ccc(OC)c([C@@H]2/C(=C(/O)c3ccccc3)C(=O)C(=O)N2CCN2CCOCC2)c1 102502747 IMFSDPSZAMTBOK-RKKARLDVSA-N 452.507 2.458 30 10 JEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(-c3ccc(F)cc3)o2)c(=O)n1C[C@@H]1CCCO1 603798077 IWAGUXQGKFUMGR-IBGZPJMESA-N 479.533 2.293 30 10 JEEE CC(C)n1cc(C=NNc2nc(SCCC(=O)Nc3ccc4c(c3)C(=O)NC4=O)n[nH]2)cn1 1084484655 WACGAXVDQOEIPD-UHFFFAOYSA-N 467.515 2.033 30 10 JEEE C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)c1nc(C(F)(F)F)no1 1276382537 HZQVAZJGHLVLAO-LLVKDONJSA-N 457.434 2.238 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1coc(-c2ccc(C)cc2)n1 1286298002 ZNOYQVSNNQRNRV-WIYYLYMNSA-N 498.609 2.275 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCCO3)n2CCCS(C)(=O)=O)c1 1286312279 VYTBYVUTVNKHHZ-LJQANCHMSA-N 459.572 2.011 30 10 JEEE C#CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1C[C@@H](COC)O[C@H](C)C1 1286337508 JXWIMRWTCFSXLZ-AEFFLSMTSA-N 460.604 2.200 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCC[C@H](O)C1)[C@H]1CCS(=O)(=O)C1 1286383998 OTYKUEGVFBLVJB-PVAVHDDUSA-N 496.431 2.214 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 1286385236 LQSNWOLCXHISHX-OKZBNKHCSA-N 462.547 2.363 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H](OC)c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1286391277 CHBZVIBFVKWTRY-FCHUYYIVSA-N 483.569 2.417 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1CC1(NC(=O)OC(C)(C)C)COC1 1286411132 ZJSFWMOGFVNUOR-FQEVSTJZSA-N 479.537 2.157 30 10 JEEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCCN1CCC[C@H]1CO 1286448329 SAPMZJVFBOOUNK-LEWJYISDSA-N 490.649 2.283 30 10 JEEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1286511451 LFGQJBKELVPZRP-UHFFFAOYSA-N 479.610 2.433 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc(F)c2F)CC1 1286607900 LODVIEZOUJVJFO-KRWDZBQOSA-N 481.569 2.378 30 10 JEEE C=CC[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1)c1ccccc1 1286678379 VZYYZEDTVQUZNM-FFGOWVMKSA-N 488.614 2.183 30 10 JEEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCC(CO)CC2)cc1 1286726525 FWZMQFSQISCNKM-FQEVSTJZSA-N 459.616 2.059 30 10 JEEE C=CCN(c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCS(=O)(=O)N(C)C)C1CC1 1286736174 BPVMASAMBVSXGN-QGZVFWFLSA-N 482.651 2.439 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCOC[C@@H]1OC 1286766382 QJRQBRCLECZKLQ-GGPKGHCWSA-N 464.588 2.060 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CCOC2)n1C[C@@H]1C[C@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1286773199 JTNNMWKUXSUQKU-FUMNGEBKSA-N 477.606 2.445 30 10 JEEE C=CCNC(=O)Cn1c(N2C[C@H](C)N(CC)C[C@@H]2C)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1286793640 ZVJPWSLKKIQKIJ-CADBVGFASA-N 475.638 2.270 30 10 JEEE CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H]1CN(Cc2ccccc2)CCCO1 1288099418 ARBHZGXBISIASA-YKSBVNFPSA-N 469.565 2.149 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2C[C@@H]2CN(CC(C)C)CCO2)c1 1300332424 FTIQNJXBEDDLBG-QHCPKHFHSA-N 490.612 2.092 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1(O)CCCCC1)[C@H]1CCS(=O)(=O)C1 1300482555 GMJOEKJCOUBQSG-IBGZPJMESA-N 473.555 2.175 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1CCc1ccc(N(C)C)cc1)[C@H]1CCS(=O)(=O)C1 1300487676 LBVLRDCFXZCXCH-NRFANRHFSA-N 464.595 2.276 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1nccs1 1300560615 GQPMFAHPDOYHJU-UHFFFAOYSA-N 454.581 2.163 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H]2CCOC2)CC1 1300732099 KNHAAQNKUZSFEX-YSIASYRMSA-N 486.617 2.051 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CC[C@H](CO)O1 1300905885 XRKJACWHCDUUDZ-RBUKOAKNSA-N 463.604 2.138 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCc2cc(OC)c(OC)c(OC)c2CC1 1301506283 IKKQCTZYNCKJIB-UHFFFAOYSA-N 492.580 2.197 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N(C)Cc1nc(C(F)(F)F)cs1 1301579072 MIIFJZCIRHKQAL-UHFFFAOYSA-N 473.506 2.448 30 10 JEEE CC[C@@H](C)NC(=O)c1cccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)c1 1305622638 HCTXGRYBXKKHPD-IAGOWNOFSA-N 487.630 2.205 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCCn2cc(Br)cn2)CC1 1359043788 IJIHAOUPRNDFIJ-UHFFFAOYSA-N 485.390 2.288 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCN1CCc2ccccc2C1 1359064451 SQCVIIFTYHOUEL-NTKDMRAZSA-N 470.643 2.329 30 10 JEEE C=C(Br)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCO[C@@H](C(=O)NC)C1 1359082167 AZPJSODWTOHVFH-QGZVFWFLSA-N 473.331 2.460 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(N2CCCC2=O)CC1 1359183281 HUFBLIXIWGHIHO-MRXNPFEDSA-N 452.625 2.082 30 10 JEEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C)(c2nc(C)no2)CC1 1359198353 OSTJITYVWIGRCF-OAHLLOKOSA-N 451.597 2.494 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1359296567 NEMPZVMUFQJPIZ-CJAUYULYSA-N 485.585 2.429 30 10 JEEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(c2nc(CC)ns2)CC1 1359342256 SPBCGPIWZJFXDD-OAHLLOKOSA-N 462.649 2.279 30 10 JEEE CC(C)(C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1359492197 DSRNFUBAUYNZLS-VQTJNVASSA-N 452.559 2.363 30 10 JEEE CCOC(=O)Nc1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1C#N 1458153736 AYRUCZUHJFFIEY-UHFFFAOYSA-N 458.496 2.400 30 10 JEEE C[C@H]1CN(C(C)(C)Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)C[C@@H](C)O1 1494093640 BYWSADRHPPXNTK-LVCYWYKZSA-N 486.642 2.328 30 10 JEEE CO[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1503929221 GIDSGMYETJAHHO-QHAWAJNXSA-N 479.629 2.478 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@]1(OC)CCOC1 1507533686 OPBNKVOBYXWXGE-OSPHWJPCSA-N 450.543 2.328 30 10 JEEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1507559688 UMRAYNSCSRUAPQ-HXUWFJFHSA-N 452.607 2.005 30 10 JEEE C#CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H](C)CS(C)(=O)=O 1507564525 RLSIACREWJWNAK-QZTJIDSGSA-N 483.635 2.259 30 10 JEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(OC)c(O)c1 1507616333 JBXODYMTDRLCPY-KRWDZBQOSA-N 457.531 2.418 30 10 JEEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1ccc(N2CCOC2=O)cc1)[C@H]1CCS(=O)(=O)C1 1507621726 BUZLWCJORCJFDO-PXNSSMCTSA-N 471.583 2.423 30 10 JEEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccccc1CC)[C@H]1CCS(=O)(=O)C1 1507627302 RSXHDSUQJOVOSY-XUZZJYLKSA-N 472.611 2.168 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1CCN(CC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1507629737 OZSBTPJCFDMKRL-LJQANCHMSA-N 459.616 2.311 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCCCC1(F)F)[C@H]1CCS(=O)(=O)C1 1507631392 OZSFFPZYDBZRIO-IRXDYDNUSA-N 452.531 2.131 30 10 JEEE C#CCN(c1nnc(C2CCCC2)n1CCC(=O)NCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1507633200 RMUXDSYJYHBUMW-OAQYLSRUSA-N 469.611 2.269 30 10 JEEE C#CCN(c1nnc(COCC)n1C[C@@H](c1ccc(C)cc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1507638420 QUUYPJSJOZVJSX-RTWAWAEBSA-N 459.616 2.053 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2OC)n1CCN/C(O)=C1\N=CC=CC1=O 1507644825 PRHCEFYLSHMNLV-LSDHQDQOSA-N 464.913 2.206 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)c2cccs2)CC1 1507738829 ZXIMXUDXGBXKEH-KRWDZBQOSA-N 454.600 2.234 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2CC(=O)NCc2ccco2)CC1 1507742107 AWOMOXQTTZQMSX-UHFFFAOYSA-N 496.518 2.022 30 10 JEEE C#CCSCCn1c(N2CCN(c3cccc(O)c3)CC2)nnc1[C@]1(OCC)CCOC1 1507758453 MXTKPGBGWJQAJT-QHCPKHFHSA-N 457.600 2.329 30 10 JEEE C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CCSCC 1507785115 NEBUMURSVMORES-HUUCEWRRSA-N 496.497 2.488 30 10 JEEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1507785816 TUELEQWHYXLMOT-JKSUJKDBSA-N 474.425 2.085 30 10 JEEE C=C(Br)Cn1c(COc2ccc(OC)cc2)nnc1N1CCC(OCC(N)=O)CC1 1507790201 AHDWVUYBGAVBLA-UHFFFAOYSA-N 480.363 2.245 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCN(C2CC2)C(=O)C1 1508092426 PRGMLSQXFMVZOH-UHFFFAOYSA-N 466.586 2.402 30 10 JEEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@@H](N2CCCCC2)C1 1508094868 JXOZTFINIZFSEE-OAQYLSRUSA-N 452.603 2.439 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCN(Cc2nc(O)c3ccccc3n2)CC1 1508144119 BJWJFLWOSMJRSA-UHFFFAOYSA-N 499.641 2.048 30 10 JEEE Cc1cccnc1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1511364508 ASKBLSSTIWDQHR-LJQANCHMSA-N 452.540 2.104 30 10 JEEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1Cc1cccc(NC(=O)OC)c1 1513922616 CFOJJMVHPWGEMM-MRXNPFEDSA-N 461.530 2.444 30 10 JEEE C#CCn1ccc(CN(CCOC)C(=O)c2ccc(I)cc2OC)n1 1531364112 SBJCNFZUUKHKJX-UHFFFAOYSA-N 453.280 2.418 30 10 JEEE C#CCCCCn1c(COc2ccccc2OC)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1539082345 RPDAGLQBOWKZLX-JOCHJYFZSA-N 467.570 2.497 30 10 JEEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1539095970 NPWQIEDRHRCXIM-UHFFFAOYSA-N 497.401 2.280 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H](C)CNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1539210632 FJWRJPKJGJBLDD-HKUYNNGSSA-N 488.614 2.128 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2cccc(C(=O)N[C@H](C)CC)c2)CC1 1539429716 BVUNMFKRWIHOFA-ZBLYBZFDSA-N 494.640 2.262 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(C)cc1N1CCOCC1 1539538448 IHSXJKVGFXHXHL-YADARESESA-N 486.642 2.074 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)CC(=O)N1CCOCC1 1539622460 GMPJCFASWZFJMF-XLIONFOSSA-N 460.966 2.270 30 10 JEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@](C)(c2ccccc2)C1 1540004705 DTPHNIMHQPPDHG-REWPJTCUSA-N 475.615 2.329 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN(C)C1CCCCC1)C1CC1 1540109450 QEAUBHNDUOJMED-FQEVSTJZSA-N 466.652 2.030 30 10 JEEE C=CCN(CCOC)c1nnc(-c2c[nH]c3ccccc23)n1C[C@H]1CCCN1S(C)(=O)=O 1540195955 LDWNKZJQMKAQMN-QGZVFWFLSA-N 458.588 2.489 30 10 JEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCc2c(F)cc(F)cc2[C@@H]1C 1540907290 RFSGNTWULAFZCV-HNNXBMFYSA-N 479.553 2.403 30 10 JEEE CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C(C)C)N2CCCC2)CCO1 1541072387 HGMNGHHVYHITKD-GOTSBHOMSA-N 465.602 2.278 30 10 JEEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(F)c(N3CCCS3(=O)=O)c2)cc1 1542896114 HYQDCJLIOMGBAV-UHFFFAOYSA-N 453.517 2.082 30 10 JEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC(C(=O)NCc3ccc(C)cc3)CC2)cc1 1545134348 MZVCARSSWBJQGC-UHFFFAOYSA-N 453.564 2.075 30 10 JEEE COCCN1C[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCS[C@@H](C)C2)CC1=O 1555573991 DXUCWVUHBFCAOE-PKOBYXMFSA-N 470.599 2.165 30 10 JEEE N#Cc1c(F)cccc1S(=O)(=O)N1CCN([C@@H]2CCCN(Cc3ccccc3)C2=O)CC1 1561561833 IEILPIDUJPVTOF-OAQYLSRUSA-N 456.543 2.195 30 10 JEEE C#CCCN1CCC(NC(=O)c2cc(S(=O)(=O)Nc3ccccc3OC)ccc2O)CC1 1586802757 NUACQLOTGIBBCA-UHFFFAOYSA-N 457.552 2.419 30 10 JEEE C#CCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1587809007 XGSZVBVVJALNQP-GOSISDBHSA-N 470.549 2.144 30 10 JEEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1587861897 RCXBXWBMFKHXTF-ROUUACIJSA-N 481.619 2.013 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1cccc(Cn2ccnc2)c1)[C@H]1CCS(=O)(=O)C1 1588028981 BKSCINUTUBMEGV-NRFANRHFSA-N 466.611 2.495 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1588030455 VTAGVCWGNQZKCB-SGXKBVARSA-N 464.563 2.345 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC[C@@H]1CCCCO1 1588098819 BLUDCCNRRCBZHC-FQEVSTJZSA-N 455.584 2.227 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1cccc(OC)c1)N1CCCC1 1588139160 MRPADJGBTMFQJS-GGAORHGYSA-N 481.622 2.099 30 10 JEEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2Cc2cccc(C(=O)N[C@H](C)CC)c2)CC1 1588801151 WQEGZCUGMJGRMN-LJQANCHMSA-N 460.586 2.010 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@H]2CCOC2)CC1 1588962205 XRXXZGGMKBEZTK-HXUWFJFHSA-N 451.571 2.476 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1CCNC(=O)c1ccco1 1595094706 WLZOBAQSBIMQSP-IBGZPJMESA-N 459.510 2.316 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H]3CCOC3)nnc2N(C)C2CCN(S(C)(=O)=O)CC2)cc1 1595614518 WEGAFIOUTZMGQE-LJQANCHMSA-N 475.615 2.255 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Br)c2)nnc1N1CCn2nc(C)nc2C1 1595766858 ZFCIRBFUSMFTHL-UHFFFAOYSA-N 492.403 2.229 30 10 JEEE C[C@@H]1C[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(OCC(N)=O)CC2)CCO1 1612694230 HTLXIGSNMIMCTO-MJGOQNOKSA-N 468.558 2.015 30 10 JEEE C=CCn1c(S)nnc1-c1sc(NC(=O)CNS(=O)(=O)c2ccccc2)nc1C 1616296107 VMRMSCZTOMTFSO-UHFFFAOYSA-N 450.571 2.102 30 10 JEEE CN(C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC=CO2)CC1)S(C)(=O)=O 1617788786 HEPNXZSHBWGXOW-HXUWFJFHSA-N 456.572 2.370 30 10 JEEE C#CCN(CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC(C)C)C(C)(C)C 1620594948 HCONSKTWZLTMTH-UHFFFAOYSA-N 451.589 2.167 30 10 JEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(c2ncccc2F)CC1 1632298675 BWXDSOFEGMQRKJ-SFHVURJKSA-N 459.547 2.167 30 10 JEEE C=CCOc1ccc(/C=C/C(=O)NC2CN(S(=O)(=O)c3ccc(OC)cc3)C2)cc1OC 1637657648 FYEADYKAZZKLPB-WUXMJOGZSA-N 458.536 2.471 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCNC(=O)c1ccco1 1689852101 AGKKXYGLDGFPAZ-IRXDYDNUSA-N 472.546 2.067 30 10 JEEE C#CCCCCn1c(N2CCN3C(=O)N(CC(C)C)C[C@H]3C2)nnc1[C@]1(OCC)CCOC1 1689907079 ZUSXPTUMSZPYEI-YKSBVNFPSA-N 458.607 2.316 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCN(CCC)C1 1690019887 TXJGWEPVGGVVJQ-SFTDATJTSA-N 470.618 2.391 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(OC(C)C)cc2)CC1 1690134841 HVXDLZROXGCJHL-UHFFFAOYSA-N 466.586 2.218 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@H](OC)c2ccc(F)cc2)CC1 1690146613 SDZFFQUJKDQJCG-FPOVZHCZSA-N 455.534 2.275 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(F)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1690212201 CENJVWAIFFHLRG-XMSQKQJNSA-N 461.563 2.412 30 10 JEEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOc2ccccc2)CC1 1690484714 BRPXMICHDZLPNK-FQEVSTJZSA-N 459.616 2.347 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCCOC2)n1CCN1CCN(C(C)=O)CC1 1690560238 RCKSQMCMEUJXBX-XMMPIXPASA-N 477.613 2.400 30 10 JEEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCCC[C@@H](COC)C1 1690662234 VVKFMKMXIIDHBA-GOSISDBHSA-N 489.646 2.102 30 10 JEEE CN(CCNS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CC(C)(C)N1CCCCC1 1696826281 AEDXAWRLXNHPLW-UHFFFAOYSA-N 459.620 2.067 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccnc1OCC(F)(F)F 1705495305 OCMXUJDGYVVDIT-HIFRSBDPSA-N 457.478 2.023 30 10 JEEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC2CCOCC2)CC1 1705507877 GBUUHFMBZJEVJQ-UHFFFAOYSA-N 451.575 2.278 30 10 JEEE C#CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(CCOC)[C@@H](C)C1 1705525508 LKUGUWVDHRAKAU-SFHVURJKSA-N 473.647 2.117 30 10 JEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(N(C)C)nc1 1705551347 MBWVEZFVRGAFRF-GOSISDBHSA-N 455.563 2.165 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCc2nccnc2C)CC1 1705645322 QDQFPFTVGQVVEW-UHFFFAOYSA-N 497.401 2.343 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCC(=O)NC(C)C)CC1 1705651396 VOTBLRAABYTWRI-UHFFFAOYSA-N 480.613 2.354 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1705700352 SCQLLZIPOPHWHS-RXVVDRJESA-N 474.631 2.490 30 10 JEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](O)(c2ccc(C)cc2)C1 1705830192 KSRVWPNZJDRXJC-XXBNENTESA-N 460.600 2.179 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(CCN2[C@@H](C)CC[C@H]2C)CC1 1705905203 NMNQQIOBCOEMDD-OYRHEFFESA-N 483.636 2.305 30 10 JEEE C=CCNC(=O)Cn1c(N2CCO[C@@H](c3ccc(CC)cc3)C2)nnc1[C@@]1(OCC)CCOC1 1705909336 UDOYEQNOKOKNSR-PXDATVDWSA-N 469.586 2.373 30 10 JEEE CC(=O)N[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2C[C@@H](C)O[C@H](C)C2)C1 1706026251 ARGQGAGJDRNNEV-TXTKFYIRSA-N 495.628 2.333 30 10 JEEE CCn1cnnc1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(NC(=O)C(C)C)CC1 1710198571 CNPZXRKGKNFTKH-UHFFFAOYSA-N 477.573 2.129 30 10 JEEE CN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1N(C)CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1711277223 FXEZFYYNKKCVEQ-FPOVZHCZSA-N 486.642 2.472 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2OCC[C@H]2C)c1 1722306720 VBQDINBNJGLMMA-YLJYHZDGSA-N 473.537 2.407 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCOCC(F)F)CC1 1722445648 USNCNEGXDKSROB-UHFFFAOYSA-N 456.497 2.454 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@]2(N(C)C)CCC[C@@H](C)C2)CC1 1722445729 BFSCRTNRGTWWNC-KBMIEXCESA-N 466.634 2.155 30 10 JEEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1722464630 MGYHKHOZTSRVPC-RXVVDRJESA-N 485.610 2.037 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)CCC(=O)NC 1722496726 ZMRRLNIOLVDJTL-HKUYNNGSSA-N 489.646 2.100 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC)nnc1N1CCN(CC(=O)NCc2ccccc2)CC1 1722509267 MOHOKTLPOUWSGO-XUZZJYLKSA-N 452.603 2.260 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1722688571 GHTHNKOUMQKARV-BTYIYWSLSA-N 493.406 2.123 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@H](C)O[C@H](C2CC2)C1 1722691988 DCNVUEZHTLDRDY-PXNSSMCTSA-N 452.559 2.453 30 10 JEEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCCN(c2nc(C)ns2)CC1 1722701266 LFAUUTOIANNBHP-UHFFFAOYSA-N 466.615 2.242 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2c(C)cccc2C)C1 1722719581 WOJWVZXSCAVGTI-RBBKRZOGSA-N 489.642 2.252 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC(=O)N(C)C[C@@H]1C 1722724249 RGJMOBOTYCIJLC-HKUYNNGSSA-N 475.615 2.303 30 10 JEEE C#CCCCCn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1740580465 YXTYTGZGPUQTGK-UHFFFAOYSA-N 470.549 2.374 30 10 JEEE C#CCCCn1c(COc2ccc(Br)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1740595012 IQQAJWYVZJMWSB-UHFFFAOYSA-N 482.404 2.115 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CC1(NC(=O)OC(C)(C)C)COC1 1740676671 KCCYXSIRXXUHHU-IBGZPJMESA-N 498.559 2.302 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCC[C@@H]1C 1740676806 MVMWINNWZJUUHI-AZUAARDMSA-N 459.591 2.443 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCC=CO1 1740685933 NJSPAAXLPHSQBU-OALUTQOASA-N 461.563 2.365 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1cccs1)N1CCCC1 1740686112 OOAAKYCABKVFJE-RTBURBONSA-N 477.656 2.165 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2Cc2c(Cl)c(C(F)(F)F)nn2C)CC1 1740701130 VPOIOCLKLXNNEN-CQSZACIVSA-N 457.888 2.339 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCc2ccc(Cl)c(OC)c2)CC1 1740708304 KZLSLBWGFYZQGM-UHFFFAOYSA-N 499.015 2.271 30 10 JEEE C#CCSCCn1c(N2CC[C@@H](N3CCN(C(C)C)CC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1740722160 FBXHQMYIKJTDCS-RDGATRHJSA-N 490.718 2.290 30 10 JEEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1740742759 AQQJODSEEADJKQ-MRXNPFEDSA-N 476.335 2.373 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)C1CCCCC1)C1CC1 1740910099 JHBXTACBPMUSKB-UGKGYDQZSA-N 467.636 2.097 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCO[C@@H]1C(C)C)C1CC1 1740910939 UVBJECTUIANSMA-YZGWKJHDSA-N 467.636 2.217 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(=O)NC(C)C)n1Cc1nnc2n1CCC2 1740915415 FVYCKLWJWPJJPH-UHFFFAOYSA-N 450.547 2.204 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(C)CCCO1 1740934742 PITHFMNWMKNGNC-ZJSXRUAMSA-N 489.642 2.415 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@H](N2CCCCC2)C1 1740955502 WJKGVOYRPGWRJB-IBGZPJMESA-N 454.575 2.329 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC[C@H](NC(=O)OC(C)(C)C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1740964818 IWYFLASHJCOAGY-MHECFPHRSA-N 492.621 2.114 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCS[C@@H](C(C)C)C2)nnc1[C@@]1(OCC)CCOC1 1740995546 PGHNNBSVKXTTFI-YLJYHZDGSA-N 458.650 2.109 30 10 JEEE C=CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1740996977 KQTWFKISWSZIPR-NRFANRHFSA-N 496.680 2.283 30 10 JEEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1741005628 MAFXDORHBQMKSK-NRFANRHFSA-N 486.690 2.192 30 10 JEEE CC(C)C[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C)N(C)C 1741423843 AMNPNPWMJOOXEX-ICSRJNTNSA-N 453.591 2.372 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1Cc1cccc(Cn2ccnc2)c1 1741918643 CCFMDCUDBXUEMT-GOSISDBHSA-N 482.614 2.311 30 10 JEEE CCN(CCCn1c(C2CC2)nnc1N1CCN(c2ccccc2C#N)CC1)S(C)(=O)=O 1746310091 CDDBMIUMVONIGI-UHFFFAOYSA-N 457.604 2.025 30 10 JEEE C#CCCCCn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1748706504 KWJCGJIKDGDNEI-QFIPXVFZSA-N 487.626 2.388 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCSC2(CCCCC2)C1 1748751958 OZHVFRZRQYJBEG-SFHVURJKSA-N 467.661 2.281 30 10 JEEE C#CCN(c1nnc(C(C)C)n1C[C@H](C)N(C)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1748802671 QWKSWVMMOMLNHD-IRXDYDNUSA-N 453.609 2.284 30 10 JEEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1Cc1c(F)cccc1Cl)[C@@H]1CCS(=O)(=O)C1 1748805455 SBKLHEWFHKDXRB-OPAMFIHVSA-N 496.992 2.398 30 10 JEEE C#CCN(c1nnc(CCOc2ccccc2)n1C[C@@H]1CCOC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1748820555 DQZGTTBLVFXTEA-QHAWAJNXSA-N 472.611 2.199 30 10 JEEE C#CCSCCn1c(-c2ccc(CC)cc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1749026850 ISJDJOQEGPAWOW-UHFFFAOYSA-N 468.627 2.047 30 10 JEEE C=C(C)COCCn1c([C@H]2COc3ccccc3O2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1749228959 FXDVJXCMMFNTAT-VQIMIIECSA-N 450.561 2.253 30 10 JEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCNc2nccc(C(F)(F)F)n2)CC1 1749329537 OOPNPOVEMDKHPC-ZDUSSCGKSA-N 488.540 2.212 30 10 JEEE C=CCCCn1c(N2CCC([C@H]3NC(=O)N(C)C3=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1749440349 YLHWSRDFXCGYRR-WZONZLPQSA-N 460.579 2.052 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CN(Cc3ccccc3)CCCO2)C1 1749693651 LCSNDDSCDRBBAD-PKTZIBPZSA-N 482.629 2.489 30 10 JEEE CC(C)NS(=O)(=O)CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@H](C)CC#N 1751004736 IFMPCTDIMKPUJN-MSOLQXFVSA-N 497.666 2.459 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1CCCn1cc(CO)nn1 1760123110 YHORWTKFFYVFRK-OAHLLOKOSA-N 474.363 2.252 30 10 JEEE C#CCCCCn1c(CCOc2ccccc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1760141119 JZAYCNNJEKXONR-QHCPKHFHSA-N 464.614 2.446 30 10 JEEE C#CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1760148559 FGTXOYXCTFYSQF-UHFFFAOYSA-N 461.588 2.284 30 10 JEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1CCN1CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1760191326 FNSCXUFDGQHCIH-GMAHTHKFSA-N 499.681 2.431 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCS(C)(=O)=O 1760243967 JSCRFSDYFHPIDD-UHFFFAOYSA-N 455.584 2.483 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@]2(O)CCC[C@H]2C)CC1 1760254667 FOIOOBUGWIFMNQ-IQGLISFBSA-N 469.586 2.277 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccccc2Br)CC1 1760264982 JMXNRHMQTLUECA-UHFFFAOYSA-N 487.402 2.193 30 10 JEEE C#CCSCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CC[C@@](C)(C(=O)NC)C1 1760281229 ZVGPUJZTZXXIID-RUZDIDTESA-N 493.637 2.394 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCN(CCc2ccccc2)C1 1760290212 YXKDEVRTTMPEAF-QFZWGZQFSA-N 484.670 2.445 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1760320772 XRKXKOJMTWIZNY-QTEQDKRBSA-N 485.585 2.285 30 10 JEEE CC(C)NS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC2(CCOCC2)C1 1761272601 CZDBOHDCVLMCCH-UHFFFAOYSA-N 488.614 2.063 30 10 JEEE CCCN(CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1)C(=O)OC(C)(C)C 1764362867 DJXNTWIDKDSERA-HRAATJIYSA-N 484.598 2.269 30 10 JEEE CN(C)C(=O)CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)CC2CC2)CC1 1768431688 CBQXBKJKRRHWLE-UHFFFAOYSA-N 484.626 2.336 30 10 JEEE CNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCCO[C@@H](C)C2)CC1 1769221134 BNBDORUFKIQABH-IBGZPJMESA-N 465.602 2.280 30 10 JEEE COCCN(CCC#N)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCCS1 1769843308 FTKPEOYBNZTCAB-MRXNPFEDSA-N 453.572 2.454 30 10 JEEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1862635945 VQRJWHDYXXSXKL-YBTHPKLGSA-N 484.417 2.054 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCNC(C)=O)[C@@H]2c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 1862697377 GYFYBMYVACBZRC-OAQYLSRUSA-N 497.460 2.089 30 10 JEEE COC(=O)c1ccc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2CCNC(C)=O)cc1 1862746013 WWMFQMWATUIHSI-LJQANCHMSA-N 467.434 2.096 30 10 JEEE O=C([C@H](Cc1ccc(F)cc1)N=C1NS(=O)(=O)c2ccccc21)N(CCO)Cc1ccccc1 1869929511 IOQDQVPJPROMTA-QFIPXVFZSA-N 481.549 2.497 30 10 JEEE N#Cc1nnn(-c2ccc(C(F)(F)F)cc2)c1NC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 1870155187 AIBYYBMJNBNJJH-UHFFFAOYSA-N 485.338 2.301 30 10 JEEE C#CCOc1cn(CCc2ccc(S(N)(=O)=O)cc2)c(CN2C[C@@H](C)C[C@@H](C)C2)cc1=O 1870561276 GIRIIBNZTPPOBF-KDURUIRLSA-N 457.596 2.228 30 10 JEEE C=CCn1c(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc2c(N3CCC(C)CC3)ncnc21 1873595570 JBUAYHBEQBXOCE-UHFFFAOYSA-N 482.610 2.474 30 10 JEEE CN(c1cc(C#N)ccn1)C1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2F)CC1 1891299135 NMCAPICUROYJQX-FQEVSTJZSA-N 471.558 2.373 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)NCCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2180985983 WCJLBWINUQXYRH-MOPGFXCFSA-N 460.380 2.015 30 10 JEEE CC(C)(C)OC(=O)NCC1(C(=O)NCCc2cccc(B3OC(C)(C)C(C)(C)O3)c2)COC1 2188026461 LVUYLXONHGHYRS-UHFFFAOYSA-N 460.380 2.186 30 10 JEEE CN(C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CC[C@@H]1NC(=O)OCc1ccccc1 2247826661 XZTTTXCUZLESEG-ZWKOTPCHSA-N 454.336 2.238 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H]1NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2247952425 NJILLJIAALDMMA-CHWSQXEVSA-N 458.411 2.381 30 10 JEEE CN(C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCN(C(=O)OCc2ccccc2)C1 2255613103 AAXNNLOULWFGSG-GOSISDBHSA-N 468.363 2.202 30 10 JEEE CC1(C)OB(c2n[nH]cc2C(=O)NC2CC3(C2)C[C@H]3NC(=O)OCc2ccccc2)OC1(C)C 2255620071 VNXPYJXZJYRRFO-COYKAVQBSA-N 466.347 2.286 30 10 JEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N(C)C[C@H](O)CNC(=O)OC(C)(C)C 2255829189 KPGAJAOLPTYNPJ-CQSZACIVSA-N 454.398 2.313 30 10 JEEE CC(C)(C)OC(=O)NC1(C(=O)O)CC(Oc2nccc(B3OC(C)(C)C(C)(C)O3)c2F)C1 2266000687 NKEITEYOZBMOTD-UHFFFAOYSA-N 452.288 2.409 30 10 JEEE CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)C(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2267152644 RXBACUOGDRSYBN-QHCPKHFHSA-N 457.405 2.151 30 10 JEEE CC(C)(C)OC(=O)N[C@]12C[C@H]1CN(S(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1)C2 2267416620 RWWXFQISBDXHGP-NYHFZMIOSA-N 464.393 2.274 30 10 JEEE CC(C)(C)OC(=O)N1CC=C[C@H]1CNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2267468840 NRJBWTZCGLVFLC-AWEZNQCLSA-N 485.437 2.037 30 10 JEEE Cc1nn(C)c(C(=O)N(C)CC(C)(C)NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267507429 NVGPSMFMEMIGOK-UHFFFAOYSA-N 450.389 2.403 30 10 JEEE CC(C)(C)OC(=O)NCC1CC(F)(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2267519037 FLPOZLMZACNQSR-UHFFFAOYSA-N 452.336 2.082 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)sc1CNC(=O)C1(CO)CN(C(=O)OC(C)(C)C)C1 2268637288 BHSZKMAUVWQAIU-UHFFFAOYSA-N 466.409 2.201 30 10 JEEE Cn1nc(C(=O)N2C[C@@H](NC(=O)OC(C)(C)C)C3(CCC3)C2)cc1B1OC(C)(C)C(C)(C)O1 2281961081 IKHDSYVJBDRIFQ-MRXNPFEDSA-N 460.384 2.239 30 10 JEEE Cc1cc(C(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)CCN2C)oc1B1OC(C)(C)C(C)(C)O1 2281962440 ZDJPRNBKAVIXHS-INIZCTEOSA-N 463.384 2.168 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1CC(C)(C)CN1C(=O)OC(C)(C)C 2282045046 XZTIUNQNZAAGBY-OAHLLOKOSA-N 462.400 2.485 30 10 JEEE CC(C)n1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N(C)C[C@@H](O)CNC(=O)OC(C)(C)C 2282562596 SHFNDLVADMZSBH-KRWDZBQOSA-N 465.400 2.326 30 10 JEEE CN(Cc1ccccc1)[C@]1(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cn2C)CCOC1 2282688115 PAQNLLYTSIMRCA-VWLOTQADSA-N 453.392 2.345 30 10 JEEE CC(C)(C)OC(=O)NCC[C@H]1CCN(S(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282826150 PHERAWLELWOFGF-INIZCTEOSA-N 481.424 2.306 30 10 JEEE C[C@@H]1CN(S(=O)(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)CC[C@@H]1NC(=O)C(F)(F)F 2282868563 PBWUMVZICHYHKF-HIFRSBDPSA-N 476.326 2.063 30 10 JEEE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1N(C)C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2283059165 CGSPBNUOKNBPNV-HZPDHXFCSA-N 460.384 2.493 30 10 JEEE COc1cccc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H](COCc1ccccc1)C(=O)O 2284472327 DEDBAWFQEDSLST-GOSISDBHSA-N 455.316 2.394 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(F)cc2Cl)C1 2285941284 JKKLQGISACOTRH-SJORKVTESA-N 484.761 2.488 30 10 JEEE CC(C)(C)OC(=O)N1CC(O)(C(F)(F)CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2288536839 WGNWEQIWQNKNAD-UHFFFAOYSA-N 488.362 2.394 30 10 JEEE CC(C)(C)OC(=O)NCCCC[C@@H](NC(=O)c1coc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)O 2289801915 IGYBVYGOPLOLGW-OAHLLOKOSA-N 466.340 2.457 30 10 JEEE Cc1ccc(CNC(=O)CC2(O)CN(C(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2296176104 HTDCQPWJBYNPRA-UHFFFAOYSA-N 460.380 2.282 30 10 JEEE COc1ccc(N2C[C@@H](c3nnc(SCCO)n3N=Cc3cccc(OC)c3O)CC2=O)cc1 2325882473 CJLFACIJDAKHPT-INIZCTEOSA-N 483.550 2.488 30 10 JEEE Cn1nc(C(=O)N[C@H]2C[C@@H]3C[C@H]2CN(C(=O)OC(C)(C)C)C3)cc1B1OC(C)(C)C(C)(C)O1 2359266195 JOJNVPQMSKTAAD-JYJNAYRXSA-N 460.384 2.095 30 10 JEEE 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)ncn2C)C1 2362453431 VNWPTFOLCOQCHY-JKSUJKDBSA-N 462.400 2.437 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@]23CC[C@@H](C2)N(C(=O)OC(C)(C)C)C3)n1 2369672043 HFIKKLJVCSYZIF-WNSKOXEYSA-N 460.384 2.474 30 10 JEEE COC(=O)c1ccc(/C=N/Nc2nnc(SCC(=O)Nc3cccc(F)c3C)n2N)cc1 20913387 KOXYLEJDWGHTJM-AUEPDCJTSA-N 457.491 2.403 30 10 JEEE COc1cccc([C@H]2c3c(nc(NCc4ccc5c(c4)OCCO5)[nH]c3=O)NC(=O)[C@@H]2C#N)c1OC 72472391 KTHDPVZNLQMLQO-DNVCBOLYSA-N 489.488 2.394 30 10 JEEE C#CCOC[C@H](O)CN(CCOC)CC(=O)N1CCc2sccc2[C@H]1COc1cccc(F)c1 245281367 XSAWIFCLLBFUCS-NFBKMPQASA-N 490.597 2.351 30 10 JEEE NC(=NO)c1cccc(Cn2cnc(I)c2I)c1F 311377605 LRWSLNHTOUESOT-UHFFFAOYSA-N 486.026 2.374 30 10 JEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(OCCCC#N)c2)c(=O)n1-c1ccccc1C#N 608855295 HOZZINHPOGYYNC-UHFFFAOYSA-N 495.564 2.259 30 10 JEEE Cc1nn(-c2ccccc2)c(N2CCOCC2)c1C=NNc1nc(S[C@@H](C)C(=O)NC2CC2)n[nH]1 1084450921 YOSYQAIJXDKXKK-INIZCTEOSA-N 495.613 2.341 30 10 JEEE CC(=O)Nc1cccc(NC(=O)CSc2nnc(NN=Cc3ccc([N+](=O)[O-])cc3)n2N)c1 1084475817 HMQBZYDAYJKQHV-UHFFFAOYSA-N 469.487 2.035 30 10 JEEE 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 1128806497 ZCZSBLIDFBYEHV-CXAGYDPISA-N 457.515 2.271 30 10 JEEE C=CCN(CC=C)[C@@H](CNC(=O)N1CCO[C@H](CN2C(=O)c3ccccc3C2=O)C1)C(C)C 1211221080 AJBDBNRGHIBPHI-UGKGYDQZSA-N 454.571 2.392 30 10 JEEE C#CCN(c1nnc(-c2noc3c2COCC3)n1CCCSCC(C)C)[C@@H]1CCS(=O)(=O)C1 1286389767 QEDSKYKTXQRFCV-QGZVFWFLSA-N 493.655 2.412 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccnc(C(F)(F)F)c1 1286431813 SBMXTSXCEJBGKP-MRXNPFEDSA-N 451.474 2.105 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(=O)N[C@H](C)CC 1286448303 RTQGILBZUDNCBN-MSOLQXFVSA-N 462.595 2.351 30 10 JEEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1286449867 JIPXJZBXTWOCAC-QGZVFWFLSA-N 479.614 2.230 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2CCn2cc(Br)cn2)CC1 1286481577 GFZQIEBTDWXQAZ-UHFFFAOYSA-N 472.366 2.422 30 10 JEEE C=C(Br)Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1286541938 GHIWUYGYSIHWBE-QFBILLFUSA-N 451.369 2.433 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1286563882 RNZQMFZIHSCSLX-MISYRCLQSA-N 467.636 2.361 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1286565878 QFKFJTPEDHJGNG-RIFZZMRRSA-N 480.660 2.085 30 10 JEEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1286604445 KXFDOXSYDKRHNN-UHFFFAOYSA-N 494.577 2.476 30 10 JEEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1286615086 FWJSVJQUPJKTMC-AABGKKOBSA-N 450.580 2.369 30 10 JEEE C=C(Cl)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1286619356 ADMWAIMVOADINH-MRXNPFEDSA-N 492.367 2.087 30 10 JEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCN(C(=O)OC(C)(C)C)C2CC2)CC1 1286638237 XKFGZFZCPMUKPS-INIZCTEOSA-N 468.624 2.444 30 10 JEEE C=CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCN1CCCS1(=O)=O)C1CC1 1286734593 SPHOTIHLCNNAFU-UHFFFAOYSA-N 455.382 2.226 30 10 JEEE C=CCN(CC=C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC(=O)N1CCOCC1 1286757814 WSHBEPXGLWYTEJ-UHFFFAOYSA-N 474.606 2.430 30 10 JEEE C[C@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCCC1(C)C 1291193359 ABBYHXIZLCHBQT-BXKMTCNYSA-N 452.559 2.337 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CC(C)(C)CCOC)c1 1300332451 GIEODDPRLJFJAP-LJQANCHMSA-N 452.559 2.348 30 10 JEEE C#CCN(c1nnc(C(C)C)n1Cc1cccnc1OCC(F)F)[C@H]1CCS(=O)(=O)C1 1300483360 JMESZWSIKMEJMG-INIZCTEOSA-N 453.515 2.115 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2c[nH]c3ccccc23)n1C[C@H]1CCCN1S(C)(=O)=O 1300574867 NQQOBCCNUNLMSC-GOSISDBHSA-N 450.568 2.313 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cn2nc(C)cc2C)n1C[C@]1(O)CCO[C@@H]1C 1300649230 MNSRMYXVBZWDBW-NTKDMRAZSA-N 452.534 2.459 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H]2COCCO2)n1 1300681648 WVQDBGAWEUWEIM-BHDDXSALSA-N 486.617 2.095 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCC2(OC)CCC2)CC1 1300716696 OSLDGYJONUOBJT-RUZDIDTESA-N 473.618 2.244 30 10 JEEE C#CCSCCn1c(CC2CCCC2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1300768688 VSOIMFDMUOCEGA-SIKLNZKXSA-N 458.676 2.366 30 10 JEEE C=C(C)COCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(CC(N)=O)CC1 1300991129 KKJHGERYSHKNBN-UHFFFAOYSA-N 451.531 2.278 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cscc1C(F)(F)F 1301296126 FQXOWGBOVFQKMJ-AWEZNQCLSA-N 465.523 2.362 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2cc(F)cc(F)c2)C1 1301539737 WEPVFOMGYCFTCK-KSSFIOAISA-N 455.531 2.191 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC2(O)CCS(=O)(=O)CC2)C1 1301542134 KEJLBTGTTJIIJD-MRXNPFEDSA-N 484.981 2.459 30 10 JEEE C=CCSCCn1c(CC2CC2)nnc1N1C[C@@H]2[C@H](C1)[C@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1301617688 GJUNCOFISGJVFU-KZNAEPCWSA-N 497.687 2.276 30 10 JEEE CC(=O)N1CCC[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CC(=O)NC(C)(C)C)C1 1301688134 YCBCSEFUBRBEMG-HXUWFJFHSA-N 481.601 2.338 30 10 JEEE C[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1)N(C)C 1303693120 CDXRMMNKCNMJPB-FQEVSTJZSA-N 478.645 2.338 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1cnn2ccccc12 1358876802 QLCLBXQYIXMYRJ-KRWDZBQOSA-N 463.567 2.349 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2C[C@@H]2CCCN(C(C)=O)C2)c1 1358903519 ZYFZJNSFXZGSPL-HXUWFJFHSA-N 452.559 2.129 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1Cc1ccc(C)nc1)[C@@H]1CCS(=O)(=O)C1 1358965135 OOBJQWPZSCMKMK-HXUWFJFHSA-N 453.543 2.386 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1c(CC)noc1C 1358971857 LBYLRVCJSOVRGX-UHFFFAOYSA-N 466.567 2.175 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCOc1cccc(OC)c1 1358994439 NHLZXMSSKURZOX-LJQANCHMSA-N 456.568 2.121 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC[C@H](N2CCOCC2)C(F)(F)F)CC1 1359032295 JOSRMAPKWRBPCN-SFHVURJKSA-N 497.953 2.402 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H]1CCCOC1 1359189662 QROFBFKGDLYPDT-ZWKOTPCHSA-N 455.625 2.076 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCC(=O)N2)n1CC1(S(C)(=O)=O)CCCC1 1359277382 KPQOMVMIEHQSIR-SFHVURJKSA-N 461.588 2.415 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C(C)=O)C[C@@H]1C 1359291825 CGLHPPFMMPENNR-PKOBYXMFSA-N 454.575 2.394 30 10 JEEE C=CCS(=O)(=O)CCn1c(CSc2ccc(C)cc2)nnc1N1CCC[C@@H](C(=O)NC)C1 1359335174 CMUKXZCSOVOBJU-GOSISDBHSA-N 477.656 2.442 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H]2CCCN2C[C@H]1C 1359336213 IKNCYQODLORTRR-UAFMIMERSA-N 465.664 2.470 30 10 JEEE CC(C)(C)Cc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@H]1CCCN1CCCO 1359538706 BKSUFFDUTCLKLR-NRFANRHFSA-N 466.634 2.307 30 10 JEEE CC(C)(C)S(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(C(=O)C2CC2)CC1 1359586181 BVYSTAJCVNXVOL-UHFFFAOYSA-N 484.626 2.479 30 10 JEEE C#CCN(C(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1)[C@H]1CCCc2ccccc21 1456264968 DMXVZJRLUOMLEO-GCJKJVERSA-N 451.548 2.226 30 10 JEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N(C)[C@@H](C)C(=O)NC(C)(C)C)nnc12 1457770823 DHWYVOKUVBQQTF-AWEZNQCLSA-N 456.572 2.084 30 10 JEEE Cc1c(C#N)c(NC(=O)CN(C)Cc2ccccc2S(N)(=O)=O)n(Cc2ccco2)c1C 1460147166 APDFMGRDEHOIQR-UHFFFAOYSA-N 455.540 2.336 30 10 JEEE C[C@H]1C[C@@H](CCn2c(COc3ccc(C#N)cc3)nnc2N2CCN(S(C)(=O)=O)CC2)CCO1 1493302898 BZPLYWGRIXIZOR-OALUTQOASA-N 488.614 2.016 30 10 JEEE CCC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1499949044 AUKSJUYTUVBNKM-WMZHIEFXSA-N 474.631 2.476 30 10 JEEE CCCN(CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](C(=O)NC)C1)C(=O)OC(C)(C)C 1500864169 BXBLEVYJKHCKRS-FQEVSTJZSA-N 497.600 2.415 30 10 JEEE CCN1CCN([C@@H](C)Cn2c(-c3ccc4c(c3)OCCO4)nnc2N(C)[C@@H](C)CC#N)CC1 1502310730 FKPZOBKCEGXSDH-OALUTQOASA-N 453.591 2.481 30 10 JEEE C#CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1507572877 ZVSBOQSCWIQKMP-HXUWFJFHSA-N 453.568 2.187 30 10 JEEE C#CCCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1507574361 NDVXCEPTQUEQMX-HSZRJFAPSA-N 494.640 2.429 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H](CC)Oc1ccccc1F)[C@H]1CCS(=O)(=O)C1 1507622336 FDSUSEFCVJJKTJ-ROUUACIJSA-N 491.589 2.040 30 10 JEEE C#CCN(c1nnc(-c2nnc(O)c3ccccc23)n1CCCCCOC)[C@H]1CCS(=O)(=O)C1 1507630556 CEFGTVWARYKOSC-KRWDZBQOSA-N 484.582 2.037 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@](C)(O)c1ccco1 1507663142 UNYILBKSJCSTBP-QHCPKHFHSA-N 452.536 2.312 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H]2OCCC2(C)C)CC1 1507739796 KRIUIMHYCSFULG-LJQANCHMSA-N 456.616 2.415 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCOC2)n1CCNC(=O)c1cc[nH]n1 1507999742 QLASQNJILFFSFA-FQEVSTJZSA-N 460.542 2.389 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2OCC)nnc1N1C[C@H]2CCCN2C[C@H]1C 1508094073 MHLMMSVITDBETJ-RTBURBONSA-N 454.575 2.231 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)cc1 1508097773 UNTGXVZTAPTUEU-SFHVURJKSA-N 482.566 2.162 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC(O)(CCC)CCC)[C@@H]1CCS(=O)(=O)C1 1539219002 AZUZLWCQQATOOE-MOPGFXCFSA-N 452.621 2.478 30 10 JEEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1CCC[C@@H](O)C1 1539416506 OQPAAKADFVCIEL-TZIWHRDSSA-N 453.591 2.089 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H]2CCCN(CC(C)C)C2)CC1 1539430241 HNXRJBOSAGQLPL-WIOPSUGQSA-N 458.651 2.053 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H](CC)NC(=O)OC(C)(C)C)CC1 1539482845 XNTLEUUTVPNXAF-RBUKOAKNSA-N 474.606 2.051 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1539484422 OPYUQEZGVJRVEI-HSZRJFAPSA-N 476.625 2.288 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCS(=O)(=O)CC1 1539623361 MBQQXCBNOSVLBX-XLIONFOSSA-N 462.572 2.178 30 10 JEEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCC(NC(=O)c2ccccc2)CC1 1539722456 NRYLCHKVLSRVTP-UHFFFAOYSA-N 454.575 2.408 30 10 JEEE C=C(C)COCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCOC[C@H]1C 1539751098 ZXSVCADKYQGLRZ-QZTJIDSGSA-N 451.568 2.404 30 10 JEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccc(CN3CCO[C@H](C)C3)c2)CC1 1539828379 JLNKJYYYAJVQMF-UXHICEINSA-N 488.658 2.314 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ccc(F)cc2C)CC1 1539849114 UXWZVYOQSDMQBG-FQEVSTJZSA-N 463.579 2.458 30 10 JEEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)N(C)C2CCCCC2)CC1 1539978128 XPMGRPPCNVSDGL-UHFFFAOYSA-N 471.650 2.393 30 10 JEEE C=CCN(C)c1nnc(C(=O)NC(CC)CC)n1CC(=O)N1CCN(c2ccccc2)CC1 1540043897 KTJBVZNVNXQJDA-UHFFFAOYSA-N 453.591 2.168 30 10 JEEE C=CCOc1ccccc1Cn1c(CC)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1540880975 VKIVYTDINAGBIL-KNQAVFIVSA-N 452.603 2.442 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N(C)[C@@H](C)c1ccc([S@](C)=O)cc1 1540902864 SJNIMEJDRAORIP-UGIZYKNOSA-N 466.629 2.318 30 10 JEEE CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCCN2CCC[C@H]2CO)[C@H](C)C1 1540982535 STDFYFUEJVHJNQ-XXBNENTESA-N 465.602 2.111 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCc1ccc2c[nH]nc2c1 1541934936 HLLYUXTZEIIRTB-VFNWGFHPSA-N 456.576 2.137 30 10 JEEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCS(C)(=O)=O)C[C@@H](C2CC2)O1 1545058004 CLFPXIWXVXDRSO-UZLBHIALSA-N 459.572 2.167 30 10 JEEE CCCN(CC)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2C#N)CC1 1547120884 FFIUYROFEGMYLP-NRFANRHFSA-N 485.658 2.110 30 10 JEEE CN(C)[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)c1ccco1 1552794092 CZDFHIMCLFVBDM-UYAOXDASSA-N 484.582 2.248 30 10 JEEE C[S@@](=O)C1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(C(=O)NC(C)(C)C)CC2)CC1 1555821141 HZEKPCBPNKYBFR-MGBGTMOVSA-N 469.615 2.358 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(OC)c(OCC)c(OC)c1 1587639796 NFWWXOMJBWAETP-DOTOQJQBSA-N 462.572 2.102 30 10 JEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1nc(O)c2ccccc2n1 1587766870 ZUJSEUGMVDZIEL-MRXNPFEDSA-N 454.556 2.269 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1Cc1cc(C)nn1C)[C@@H]1CCS(=O)(=O)C1 1588040478 NKRDOZFFTXBHCE-HXUWFJFHSA-N 452.584 2.224 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCC1CC(OCC)C1)[C@H]1CCS(=O)(=O)C1 1588055771 ZAURDEIIYFYHFE-KAXARAQCSA-N 450.605 2.004 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ncccc1N(C)C 1588214034 FXHXZQZGJTWXPQ-UHFFFAOYSA-N 476.610 2.210 30 10 JEEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1c(CC)nn(C)c1OC 1588384763 ATOSPIQYLBVSDD-UHFFFAOYSA-N 463.590 2.264 30 10 JEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CCc1cccc(C(=O)N(C)C)c1 1588628777 OVEIDJJIVKCWFP-UHFFFAOYSA-N 478.553 2.036 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CCn1cc(Cl)cn1 1588637523 HTZMLOCCPGDSSC-UHFFFAOYSA-N 452.906 2.230 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C2CCCCC2)C(=O)C1 1589482072 FTMWBIOVHBEPQP-WIYYLYMNSA-N 458.607 2.379 30 10 JEEE C=C(C)COCCn1c(COc2ccc(Br)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1593763507 MLHUUHVRPWMHIX-GOSISDBHSA-N 494.390 2.164 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1595785204 UMSANMBWUKFDSG-WMZOPIPTSA-N 476.603 2.290 30 10 JEEE Cc1ccc(S(=O)(=O)N[C@@H](C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)[C@H](C)O)cc1 1617824885 HFEJOCOVNZYXLD-YVEFUNNKSA-N 457.430 2.432 30 10 JEEE CNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCCN(C(=O)C(C)C)CC1 1618507215 CJZPLVGBJOQFMD-UHFFFAOYSA-N 451.575 2.284 30 10 JEEE CSC[C@H]1CCCN1c1nnc(COc2ccc(C#N)cc2)n1CCN1CCCS1(=O)=O 1620258603 HWWUXIUOIVEVGQ-GOSISDBHSA-N 476.628 2.096 30 10 JEEE CC#CCS(=O)(=O)c1cccc(C(=O)NCCc2ccc(OCC(=O)NC3CC3)cc2)c1 1626291070 YHGIUKKVLCPEKX-UHFFFAOYSA-N 454.548 2.114 30 10 JEEE C=C(C)CN1CCC(NC(=O)N2CCN(c3ncc(Br)c(OC)n3)CC2)CC1 1677105645 NYVIEEKSZWGELV-UHFFFAOYSA-N 453.385 2.120 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1nc(C(F)(F)F)cs1 1690033203 SHAIJEAYCMOCPK-ZDUSSCGKSA-N 474.534 2.069 30 10 JEEE C#CCN1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2C[C@@H](OC)C(C)(C)C)CC1 1690122045 CWJVGJHJUZKPLC-HXUWFJFHSA-N 463.586 2.008 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)CC1 1690154161 JMPHTMVGPVYCEW-IEBWSBKVSA-N 474.606 2.351 30 10 JEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(c2nccs2)CC1 1690155825 OZCJSXOHUNNXPA-AWEZNQCLSA-N 454.647 2.095 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCNC(=O)C1CCC1 1690196465 LFCTYIDVMMCKKG-RUZDIDTESA-N 498.653 2.494 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(CC)(CC)OC)CC1 1690410914 AWKDQHOKWKUBJY-SFHVURJKSA-N 455.625 2.219 30 10 JEEE C=CCCOCCn1c(Cc2cccnc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1690510208 WWRZMGBWNSLNPG-IBGZPJMESA-N 459.558 2.233 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC(Oc2ncccc2F)CC1 1690724923 ZAZJKWJTBPBIGS-QGZVFWFLSA-N 479.578 2.355 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(COC(C)(C)C)c1 1705495089 KMAPKBCDBLOTIE-WIYYLYMNSA-N 489.642 2.432 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2CC2(C(N)=O)CCCC2)c1 1705507241 WBTXQSIDHGLNRG-UHFFFAOYSA-N 471.565 2.366 30 10 JEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC([C@H]2CC2(F)F)CC1 1705516565 DYSCECQWIYSRMQ-QZTJIDSGSA-N 471.574 2.286 30 10 JEEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1705532246 JRDUPKUSUXMGSK-UNMCSNQZSA-N 494.644 2.233 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1705563444 XZMJHMIKMGTHBS-GOEBONIOSA-N 497.415 2.378 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1Cc1ccc(OC)nc1)[C@@H]1CCS(=O)(=O)C1 1705568126 HZPYDKHJRZFGGZ-HXUWFJFHSA-N 481.578 2.244 30 10 JEEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(Oc2cccc(F)c2)nc1 1705573521 IGXWYQWXSSYTQX-KRWDZBQOSA-N 482.541 2.336 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCc1csc(C)n1 1705576488 LQXWZFMZOBORTJ-UHFFFAOYSA-N 468.608 2.276 30 10 JEEE C#CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1CCCOC1 1705622306 DTZYPKXKOJUDKE-GOSISDBHSA-N 460.604 2.059 30 10 JEEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2CC2(O)CCN(C(C)C)CC2)CC1 1705642049 DXRFFYAAOFCYMX-UHFFFAOYSA-N 466.630 2.156 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCCN(C)C(C)C)CC1 1705646267 VESVGFOSLPVTQA-UHFFFAOYSA-N 480.613 2.412 30 10 JEEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@H](CN2CCOCC2)C1 1705656762 IGRWCIKJCRFTDW-LJQANCHMSA-N 471.627 2.487 30 10 JEEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1705731928 ITMQNGGVFLZABT-JPYJTQIMSA-N 476.599 2.326 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](CC)NC(=O)OC(C)(C)C)C1CC1 1705853477 BNEKPMQGTQMOPQ-AEFFLSMTSA-N 498.650 2.069 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)N2CCCC2)CC1)C(C)C 1705867566 PZHDWVOQDCELEL-VXKWHMMOSA-N 498.676 2.266 30 10 JEEE C=CCOc1ccccc1Cn1c(CN2CCCC2=O)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1705913335 LIJDGTUUPSZDTE-FQEVSTJZSA-N 466.586 2.318 30 10 JEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(=O)c2ccccc2C)CC1 1722324399 QXRYRQIZELQKPG-GOSISDBHSA-N 472.615 2.009 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1ccc(OCC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1722360211 FFKLXJMWIHJMMY-SFHVURJKSA-N 469.567 2.356 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC(C)(C)N1CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1722361670 OEFDWDROCSEMBM-RTBURBONSA-N 458.632 2.410 30 10 JEEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(N2CCOCC2)c(F)c1 1722426370 ATVPDNUIPWMRCJ-UHFFFAOYSA-N 481.576 2.250 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCCN2CCCC[C@H]2C)CC1 1722443160 DHUJLYYMQJLEKZ-RLWLMLJZSA-N 486.661 2.161 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1722445053 KBAXAKTZEMRFJH-KRWDZBQOSA-N 490.029 2.389 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1cc(C)nn1C 1722468886 WXACVLYBFHCAJE-HSZRJFAPSA-N 467.599 2.278 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1NC(=O)CC1(C)C 1722654192 JVLIIOXMDNNKQD-ICSRJNTNSA-N 487.626 2.296 30 10 JEEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCC(C(=O)NCc2ccc(F)cc2)CC1 1722699619 KZUWXFSGFADGOU-UHFFFAOYSA-N 456.566 2.451 30 10 JEEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1cnn(-c2ccccc2)c1 1723778133 CYBHQQLLPFSIII-MJGOQNOKSA-N 453.572 2.347 30 10 JEEE COC(=O)N1CCC(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CC[C@](F)(C#N)C2)CC1 1729783699 CWVQMDHQRGOAMF-QFIPXVFZSA-N 490.561 2.269 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2CCOC2)c1 1740562488 NWZMYPQOZWWKAB-CPJSRVTESA-N 467.570 2.411 30 10 JEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1740583366 XKJRGKILRGSPRK-PMSBKCLSSA-N 457.600 2.206 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(CS(C)(=O)=O)cc1 1740653206 DMAWLEDYSGTBJP-UHFFFAOYSA-N 479.562 2.062 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H](C)N(C)c2ccccc2)CC1 1740693464 ZALUIYVQCSKNLC-PXDATVDWSA-N 452.603 2.210 30 10 JEEE C#CCN1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2C[C@@](C)(O)[C@H](C)CC)CC1 1740696585 YIPYHDAKBKXEGC-CJFMBICVSA-N 466.634 2.004 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](c1cccs1)N(C)C 1740724540 FPTHUAGEBKMQRH-GQIGUUNPSA-N 450.634 2.245 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C[C@H]1COc2ccccc2O1 1740750807 FRZNTNYRZMMFLH-WIRSXHRWSA-N 491.614 2.146 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)[C@@H]1CC 1740762807 GRCWZVLGKKFGRD-VCOUNFBDSA-N 450.543 2.425 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@H](CNC(=O)CCC)C1 1740954948 JTBIFGOIIWKFDC-GOSISDBHSA-N 482.585 2.151 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCOC2(CCCC2)C1 1740959775 DWFNKFCIBZUIFC-GOSISDBHSA-N 490.605 2.038 30 10 JEEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(C)=C(Br)C1 1740963583 PFUZCTVFHNAYMC-UHFFFAOYSA-N 479.404 2.451 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(F)(F)C1 1740970084 ZXYVJRNMXNCILE-SFHVURJKSA-N 483.541 2.070 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CCS(=O)(=O)NC)C1 1740974897 KEAASHKUZNFURS-MRXNPFEDSA-N 484.420 2.347 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H]2CC(=O)N(CCOC)C2)C1 1740984558 FBBPXDOOSUMNLZ-NXLVEIQXSA-N 475.634 2.473 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1nccn1C(F)F 1741129651 GSJXMAOOCYLDNM-ZDUSSCGKSA-N 453.457 2.428 30 10 JEEE CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCOCC2)C1 1745761886 BKUQMRVJOGJMHN-JOCHJYFZSA-N 465.602 2.282 30 10 JEEE CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1CC1([S@](C)=O)CCC1 1747395533 FKCSBECOGCBANY-DFYVNMARSA-N 463.629 2.377 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCN1CCC[C@H]1C 1748881491 FUTPFCJIAXEDBJ-HXUWFJFHSA-N 468.627 2.143 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1SCCc2ccccc21 1748963150 ZFMUDZRQKCQOTK-UYAOXDASSA-N 460.625 2.297 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1CCNC(=O)OC(C)(C)C 1748965044 OWRSVVXMJKTCGJ-LJQANCHMSA-N 457.531 2.401 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)cn3C)n2Cc2cnn(C)c2C)CC1 1749003592 OJBXQGUOJYGZKC-UHFFFAOYSA-N 499.417 2.102 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2CC2(COC)CCOCC2)CC1 1749010537 MUXFQGYTUYDQOV-UHFFFAOYSA-N 451.571 2.354 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCCC[C@H](S(C)(=O)=O)C2)nnc1[C@]1(OCC)CCOC1 1749141229 XOJNGLBSKWSFES-NVJIOZQYSA-N 482.647 2.315 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1749141270 XYCGPHBXXXQKNG-XUZZJYLKSA-N 474.650 2.320 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2ccc(F)c(F)c2)C1 1749193702 LZXLDIRXMNLHQZ-MOPGFXCFSA-N 483.541 2.043 30 10 JEEE COC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](C(F)(F)F)C1)OC 1749343572 BJOCSNHOYJMYHL-IRXDYDNUSA-N 455.437 2.158 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H](NC(=O)CCC)C1 1749683331 PWNBFANIKLXEGJ-WAOWUJCRSA-N 460.623 2.384 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](C)C[C@H](C)C1 1749724085 GZDPFIMEHYYZEE-IRXDYDNUSA-N 466.629 2.432 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1CCNC(=O)Cc1cccc(F)c1 1750059846 CKCQELCUJDUQKR-INIZCTEOSA-N 464.505 2.019 30 10 JEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CC[C@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1760180367 CSWRTMFNQSFFSP-OALUTQOASA-N 464.975 2.031 30 10 JEEE C#CCN(c1nnc(C2(c3ccccc3)CCC2)n1CCC(=O)NCCC)[C@@H]1CCS(=O)(=O)C1 1760181441 VQIPUEBHCIXPBM-OAQYLSRUSA-N 483.638 2.291 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCN(C)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1760182466 GDCODNBZNVAIQN-FQEVSTJZSA-N 498.609 2.310 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H](Cc1ccccc1)OC)[C@@H]1CCS(=O)(=O)C1 1760187706 DTTGZCUITYHTKZ-FGZHOGPDSA-N 465.579 2.225 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCCNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1760188957 RRNBVOBQGBZLLD-RTBURBONSA-N 495.646 2.104 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1CCCSc1nccs1)[C@H]1CCS(=O)(=O)C1 1760189282 HAVSLPQOEGEEIP-INIZCTEOSA-N 451.643 2.496 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@H]2CCOC[C@H]2OC)CC1 1760256161 FCFFOQWEGQOHSI-NNMXDRDESA-N 457.550 2.364 30 10 JEEE CC(C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1761246154 CINBXPPKJABJAA-LJQANCHMSA-N 465.602 2.421 30 10 JEEE CC(C)NC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)c2ccsc2)CC1 1761258042 FWFVPHYQADNJJJ-UHFFFAOYSA-N 463.567 2.365 30 10 JEEE C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCCC1(F)F 1761362687 GQCXBQHLNKVMJU-OWCLPIDISA-N 460.551 2.175 30 10 JEEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCS(C)(=O)=O)C[C@H](C(F)(F)F)O1 1763178008 GLGKCPMKANSUEO-RHSMWYFYSA-N 487.504 2.319 30 10 JEEE CC[C@H](C)c1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1C[C@]1(O)CCS(=O)(=O)C1 1763744545 CPRIZGVPAQHCKC-KSFYIVLOSA-N 493.033 2.193 30 10 JEEE CCO[C@@]1(c2nnc(N(C)[C@@H](C)CC#N)n2C[C@@H]2C[C@H](F)CN2Cc2nccn2C)CCOC1 1765808777 DQHFQSHXKADHRA-KGYLXKDPSA-N 474.585 2.015 30 10 JEEE Cc1c(C(=O)NN2CCN(C)CC2)oc2c1C(=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CCC2 1772747893 POJJSBCHNQPWRQ-UHFFFAOYSA-N 471.474 2.449 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H](C)O)[C@@H]2c2cc(OC)c(O)c(OC)c2)cc1OC 1862578063 WLXLRRUIUZQOMZ-FKIZINRSSA-N 473.478 2.386 30 10 JEEE C=CCOc1ccccc1[C@H]1C(C(=O)N2CCC(C(N)=O)CC2)=C(N)Oc2c1c(CCC)nn2C 1865225475 WQRHTXMIIGBGGW-HXUWFJFHSA-N 479.581 2.356 30 10 JEEE CC[C@@](C)(NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1)C(=O)N1CCN(c2ncccn2)CC1 1868795539 LZGIEENIZIHVBD-NBGIEHNGSA-N 495.653 2.448 30 10 JEEE COc1ccc([C@@H]2[C@@H](C(=O)N3CC[C@H](Oc4cc(C#N)ccn4)C3)OCC(=O)N2C(C)C)cc1 1889702905 LWCVLIRDWQDKHL-ZTCOLXNVSA-N 464.522 2.319 30 10 JEEE CCN1CCN(CC#CCOC2CCN(C(=O)c3cccn(Cc4ccccc4C)c3=O)CC2)CC1 1890458445 SGIOFJFEFLXLIZ-UHFFFAOYSA-N 490.648 2.467 30 10 JEEE COc1ccc(OC)c(-c2ccc(=O)n(CC(=O)N3CCN(c4cccc(C#N)c4)CC3)n2)c1 1892336928 RRYZRXBWSRNPQZ-UHFFFAOYSA-N 459.506 2.148 30 10 JEEE CC1=C(CO)C(=O)O[C@H]([C@@H](CO)[C@@H]2CC[C@H]3[C@@H]4C[C@H](O)[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1 2037504644 UCOUIXCKSZUAKU-NDXDGZLUSA-N 488.621 2.309 30 10 JEEE CC(C)(C)OC(=O)N1CC(O)(CC(=O)NCCc2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2180986087 WZXJYNRWYFWWLG-UHFFFAOYSA-N 460.380 2.016 30 10 JEEE C=C(CS(=O)(=O)NC[C@H]1CN(C(=O)OCc2ccccc2)CCO1)B1OC(C)(C)C(C)(C)O1 2247903323 GIJRBFKDAVETSV-IBGZPJMESA-N 480.392 2.131 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2CO)C1 2255161972 ZSVGODGXCKAXOG-YOPALGQTSA-N 451.564 2.027 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](O)CN1C(=O)c1ccsc1B1OC(C)(C)C(C)(C)O1 2255640593 LSESVVCTLGSNNA-KGLIPLIRSA-N 452.382 2.147 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)[C@@H](O)C1 2255810153 AFIMZKBPZREFPO-CVEARBPZSA-N 452.382 2.147 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1(C)C 2256679351 KLZPAEZCFDLUJA-NWDGAFQWSA-N 452.386 2.137 30 10 JEEE COCC1(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)CN(C(=O)OC(C)(C)C)C1 2267157663 ZRTNQPWCMQYURF-UHFFFAOYSA-N 467.397 2.056 30 10 JEEE Cc1nc(S(=O)(=O)N2CC[C@H](OCc3ccccc3)C2)c(B2OC(C)(C)C(C)(C)O2)n1C 2267466521 BWZZJNHCEZRXBI-SFHVURJKSA-N 461.393 2.008 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1F 2267596399 JLHDNZIHPNQWQB-JKSUJKDBSA-N 451.348 2.402 30 10 JEEE CCN(CCCOCc1ccccc1)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2267711738 PJTHZWFQHCTXSC-UHFFFAOYSA-N 463.409 2.337 30 10 JEEE Cc1csc(CNC(=O)CN2CC(NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2268636713 GPGWJYCERIVZEV-UHFFFAOYSA-N 465.425 2.181 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@]2(C(=O)N=c3nc(B4OC(C)(C)C(C)(C)O4)[nH]s3)C[C@@H]2C1 2268720310 SPZCXTPYFJHYIU-ASSNKEHSSA-N 464.397 2.235 30 10 JEEE CCc1nc(C(=O)N2CCC(NC(=O)C(F)(F)F)CC2)c(B2OC(C)(C)C(C)(C)O2)s1 2270591611 NLCHUBTWVSAYNN-UHFFFAOYSA-N 461.315 2.288 30 10 JEEE Cc1ccnc(C(=O)N2CCOC[C@H]2CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2282010533 YKUWZSSADKBFQT-MRXNPFEDSA-N 461.368 2.055 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1COC[C@H]1NC(=O)c1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1F 2282088408 MABQUJYWZSRQKH-SJORKVTESA-N 468.306 2.286 30 10 JEEE CO[C@H]1CN(C(=O)c2ccc(F)c(B3OC(C)(C)C(C)(C)O3)c2)C[C@@H]1NC(=O)OC(C)(C)C 2282475411 OQNYXMHZVLUJPZ-ROUUACIJSA-N 464.343 2.489 30 10 JEEE CC1(C)OB(c2sccc2CS(=O)(=O)NCC2CCN(C(=O)C(F)(F)F)CC2)OC1(C)C 2282490504 HUNUCOIWTCSBBR-UHFFFAOYSA-N 496.382 2.268 30 10 JEEE Cn1cc(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 2282554555 FXMYIZVWABPVAW-WNSKOXEYSA-N 460.384 2.048 30 10 JEEE CCN(C(=O)c1c(C)nn(C)c1B1OC(C)(C)C(C)(C)O1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2282589551 PDBYCBUZPJGXOA-INIZCTEOSA-N 462.400 2.499 30 10 JEEE C[C@@H](CNC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 2282612208 CYFYWNZMJYDXKD-RCDICMHDSA-N 481.424 2.180 30 10 JEEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)C1NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2282629109 SAJZYXOVWHLBJQ-HUUCEWRRSA-N 460.384 2.397 30 10 JEEE CC1(C)OB(c2ccc(C(=O)NC[C@@]3(O)CCCN(Cc4ccccc4)C3)nc2)OC1(C)C 2282676183 ICACQLIRKNTJAC-VWLOTQADSA-N 451.376 2.138 30 10 JEEE Cc1c(B2OC(C)(C)C(C)(C)O2)cccc1C(=O)N1C[C@@H](O)C[C@H]1CNC(=O)OC(C)(C)C 2282682476 PEYGYIWHUCLZHX-IRXDYDNUSA-N 460.380 2.394 30 10 JEEE CO[C@H]1C[C@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)N(C(=O)OC(C)(C)C)C1 2283948395 MKAYPGJWWZPRLZ-GOEBONIOSA-N 465.331 2.483 30 10 JEEE CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1sc(B2OC(C)(C)C(C)(C)O2)cc1C 2283958250 XHSDLVMGXPRLRT-INIZCTEOSA-N 482.408 2.428 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@H]1CC(=O)N=c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)[nH]1 2284059875 JJSKBJCFQKROID-UKRRQHHQSA-N 481.786 2.324 30 10 JEEE CN(C[C@]1(O)CCCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)C1)C(=O)OC(C)(C)C 2286312154 HJRZQSGQXFNROP-JOCHJYFZSA-N 481.424 2.276 30 10 JEEE COc1cc(OC)c(OC)cc1C=C1Oc2c(CN3CCN(CCO)CC3)c(O)cc(C)c2C1=O 2324194682 HUHJGHCFZWJVRH-UHFFFAOYSA-N 484.549 2.453 30 10 JEEE COc1[nH]c(=NC[C@@H]2CN(C(=O)OCc3ccccc3)CCO2)ccc1B1OC(C)(C)C(C)(C)O1 2339786992 UROWJDZZPAXLPS-LJQANCHMSA-N 483.374 2.261 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](NS(=O)(=O)Cc3ncsc3B3OC(C)(C)C(C)(C)O3)[C@H]1C2 2359282013 ZSKFIHQNKQHGNG-IJEWVQPXSA-N 499.464 2.260 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H](NC(=O)OC(C)(C)C)CC(C)(C)C1 2362354318 SINCMNNAKVOHRE-HNNXBMFYSA-N 462.400 2.485 30 10 JEEE CC(C)(C)OC(=O)N[C@]1(C(=O)O)CCN(c2ccc(B3OC(C)(C)C(C)(C)O3)cc2C#N)C1 2364941144 IXFQHFUCOJLWNK-HSZRJFAPSA-N 457.336 2.416 30 10 JEEE CCNS(=O)(=O)c1ccc(NC(=O)CSc2n[nH]c(N/N=C/c3cnn(C(C)C)c3)n2)cc1 20910722 GJMPUUYDDAPDNW-AWQFTUOYSA-N 491.603 2.057 30 10 JEEE C/C(=N\Nc1nnc(SCC(=O)NCc2ccc(F)cc2)n1N)c1ccc2c(c1)OCO2 21318354 CXRUIHMGLSWDPW-WYMPLXKRSA-N 457.491 2.104 30 10 JEEE N#Cc1cccc(S(=O)(=O)N2CCC(c3ccn4ncc(C(=O)N5CCOCC5)c4c3)CC2)c1 64761696 TURWZTNBZDCZIY-UHFFFAOYSA-N 479.562 2.247 30 10 JEEE NS(=O)(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2c2cccnc2)cc1 170356512 BWEDWASNMMFHDQ-IBGZPJMESA-N 480.458 2.420 30 10 JEEE C#CCNC(=O)c1ccc2oc(N3CCN(S(=O)(=O)c4ccc(CC)cc4)CC3)nc2c1 252370753 YXZGXQFTURNRDT-UHFFFAOYSA-N 452.536 2.264 30 10 JEEE COCCn1c(NN=Cc2ccc(OCc3ccccc3)cc2)nc2c1c(=O)n(C)c(=O)n2C 254740319 PELPPZRBTBPYHQ-UHFFFAOYSA-N 462.510 2.105 30 10 JEEE N#Cc1cccc(OC[C@@H](O)Cn2cnc(I)c2I)c1 402124581 CDLDXNGJAPGIPW-JTQLQIEISA-N 495.058 2.404 30 10 JEEE CC(C)[C@H](C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)S(=O)(=O)C1CCCCC1 482026377 QVRXXVCTEBWIMO-OAQYLSRUSA-N 481.640 2.163 30 10 JEEE CC[C@@H](CCNS(=O)(=O)c1ccc(F)c(C#N)c1)NS(=O)(=O)c1ccc(F)c(C#N)c1 488885947 NSHQXUGNJGVQTD-HNNXBMFYSA-N 468.507 2.134 30 10 JEEE Cc1c(Cl)cccc1-n1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cnn3ccccc23)c1=O 729668983 WVILXGSXQJDODG-UHFFFAOYSA-N 475.961 2.290 30 10 JEEE CC(C)Cn1c(=C(C#N)C(=O)N[C@H]2CCCC[C@H]2C)sc(=Cc2cnn3ccccc23)c1=O 729671997 SKTXNCVXWUKWRK-XLIONFOSSA-N 463.607 2.411 30 10 JEEE COC(=O)c1ccc(C=NNc2nnc(SCCC(=O)NCc3ccccc3)n2N)cc1 1084049240 YNYCYTVTJLMESQ-UHFFFAOYSA-N 453.528 2.023 30 10 JEEE COCCn1cc(C=NNc2nc(SCC(=O)Nc3sc4c(c3C#N)CCC4)n[nH]2)cn1 1084436416 YNHPCNNSBSITOU-UHFFFAOYSA-N 471.572 2.246 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2Cc2nccn2C(F)F)c1 1286311139 KFYRPESJTOXTDS-INIZCTEOSA-N 455.469 2.478 30 10 JEEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc([C@H](F)C(F)(F)F)cc1 1286375985 BRKALALYIMXMGR-IRXDYDNUSA-N 489.495 2.302 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H](c1cccc(OC)c1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1286386517 BQEKHSUGGPSTDL-GGAORHGYSA-N 494.621 2.278 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1286393651 LWBXZNDOVOIDAB-CTNGQTDRSA-N 458.584 2.398 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCN1CCC[C@@H](C)C1 1286421677 QMPKDIAOQVYNOB-OAQYLSRUSA-N 482.654 2.390 30 10 JEEE C#CCN(CC)c1nnc(Cn2ccc3ccccc32)n1CCS(=O)(=O)N1CCSCC1 1286450525 ULBRNXLZXJKJNN-UHFFFAOYSA-N 472.640 2.119 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@]1(O)CCO[C@H]1C 1286460913 LMJQPKHFBKOUPO-JBIZMDSKSA-N 458.534 2.321 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CC(F)(F)Br)CC1 1286495162 XRQJFITTXWTKEF-CQSZACIVSA-N 460.323 2.473 30 10 JEEE C#CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCCN(CCC)C(=O)C1 1286503845 FYVLUSHMUXYNRV-UHFFFAOYSA-N 493.637 2.490 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(Cl)cc1F 1286521548 ACZFIDNVDFPUFX-GHTZIAJQSA-N 481.981 2.444 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1sc(C)nc1C 1286758303 JNMHKOZRQVGTAU-KRWDZBQOSA-N 466.633 2.105 30 10 JEEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@H](OCC(C)C)C1 1286786685 WWBWATRMDDFCBH-INIZCTEOSA-N 451.531 2.147 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H]2COCCO2)C1 1286798575 LMSNVDRSTDQSLK-OALUTQOASA-N 461.950 2.058 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3ccccc3n2)nnc1N1CCN(C(=O)OCC)CC1 1286816481 JPQGVKMCLIABFK-UHFFFAOYSA-N 484.582 2.373 30 10 JEEE COc1ccc(-c2nnc(N3CCC(CC#N)CC3)n2CCN2CCCS2(=O)=O)cc1OC 1300037623 BWORSGNNWQMDDX-UHFFFAOYSA-N 474.587 2.128 30 10 JEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2ccc(F)c(F)c2)C1 1300383786 HLQPHXNEOULAHW-KDOFPFPSSA-N 453.515 2.158 30 10 JEEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1300386892 VXUREUKRLZFNAX-OXJNMPFZSA-N 488.434 2.438 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1CCCCCS(C)(=O)=O 1300512520 XJFPYFSWBUHXAI-UHFFFAOYSA-N 452.378 2.323 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1CN1CCCCC1 1300557473 UMLYTUNACAYYCR-NRFANRHFSA-N 482.654 2.385 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(Br)s2)n1C[C@]1(C)CN(C)C1=O 1300656185 AUDQROMRKYRABF-SFHVURJKSA-N 452.378 2.333 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(OC)cc(OC)c2)n1Cc1ccc(C)n(C)c1=O 1300656736 ATAKAJNJIBBIIQ-UHFFFAOYSA-N 451.527 2.104 30 10 JEEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2CCN(C)CC(F)(F)F)CC1 1300701365 PYZMRKACPUUNES-UHFFFAOYSA-N 456.463 2.396 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2CCNC(=O)c2cccs2)CC1 1300721982 DZCWHIPQTRKYNN-UHFFFAOYSA-N 454.600 2.393 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3CC)n2Cc2cc(C)nn2C)CC1 1300730698 DVLGYHAURXHAMF-UHFFFAOYSA-N 475.597 2.476 30 10 JEEE COC[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1)OC 1301022881 HCJHKTLMSFRXRS-HSZRJFAPSA-N 461.570 2.119 30 10 JEEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1CCN(CC(F)(F)F)CC1)C1CC1 1301313596 CCOJDKFNUSPNFF-CQSZACIVSA-N 464.558 2.317 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc(Cc2ccccn2)n1CC1(O)CCS(=O)(=O)CC1 1301403109 VBAWGIZWDDPWNT-UHFFFAOYSA-N 481.622 2.439 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@](C)(O)CCOC 1358885201 FNJZSRMCHQJNFS-XDHUDOTRSA-N 452.559 2.481 30 10 JEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1Cc2ccccc2C1 1358913027 DGTKFAOBYLTZKX-NRFANRHFSA-N 457.600 2.018 30 10 JEEE C#CCN(c1nnc(C(C)C)n1Cc1cccc(OCCN(C)C)c1)[C@@H]1CCS(=O)(=O)C1 1358955556 OELOUOQDOSLDIP-HXUWFJFHSA-N 459.616 2.017 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@]1(N(C)C)CCSC1)[C@H]1CCS(=O)(=O)C1 1358958762 VNRSAKAPZKJSMN-WMZHIEFXSA-N 489.667 2.018 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1c(F)cccc1Cl)[C@H]1CCS(=O)(=O)C1 1358961294 VZUKQSIUZPDNFL-HNNXBMFYSA-N 462.938 2.146 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@H]2CCC[C@H](O)C2)CC1 1359042497 IUCAPIPCKOINRR-NQIIRXRSSA-N 451.571 2.471 30 10 JEEE C#CCSCCn1c(-c2cc(F)ccc2Br)nnc1N1CCN(C)C(=O)C1 1359050679 YPYCHLWIIHJZIK-UHFFFAOYSA-N 452.353 2.492 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCC(=O)N(C)C 1359071644 XYTNVLHQYYEQMV-HOYKHHGWSA-N 474.606 2.447 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN(C)C1CCCCC1 1359113636 MWEQVAFTCODBDR-HXUWFJFHSA-N 468.668 2.278 30 10 JEEE C=CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(CCC(=O)N2)C1)c1ccccc1 1359194171 QIFOLWJDXWIWLR-BOCKYXSRSA-N 472.615 2.107 30 10 JEEE C=CCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1359223489 MLBPWFSQITUUKT-KRWDZBQOSA-N 477.587 2.218 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C)Oc2cccc(OC)c2)C1 1359322467 WDCQKLWYRARGNI-DBXWQHBBSA-N 476.599 2.438 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCN(Cc3cn4ccccc4n3)CC2)nnc1C(C)(C)C 1359335914 YIYPWERVYWWDLO-UHFFFAOYSA-N 471.631 2.146 30 10 JEEE C=CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCCOCC1 1359338088 LDUJZGFJLXXWAE-UHFFFAOYSA-N 451.618 2.341 30 10 JEEE C=CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1359339086 RSYYVHJBMYKVMA-NRFANRHFSA-N 465.627 2.479 30 10 JEEE C#CCNC(=O)C1CCN(C(=O)CCCOc2ccc(I)cc2)CC1 1459464035 JGIUDXDXEKPZHD-UHFFFAOYSA-N 454.308 2.438 30 10 JEEE COCCN(CCC#N)S(=O)(=O)N1CCC[C@@H]([C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 1463772363 CXEZKOWOFKXLNV-RBUKOAKNSA-N 458.625 2.452 30 10 JEEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H]2CCCN(CCN3CCOCC3)C2)cc1 1465398666 HEZFCOLNCYGZRQ-HSZRJFAPSA-N 455.603 2.419 30 10 JEEE CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(OC)nc2)CC1 1496306172 DZUOGQLKSFXFHM-LJQANCHMSA-N 488.596 2.305 30 10 JEEE CCN(CC)C(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCOC[C@H]2OC)CC1 1501789805 DMVJGTUICYUXHP-FGZHOGPDSA-N 481.601 2.452 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(N(C)C)nc1)[C@H]1CCS(=O)(=O)C1 1507625689 ARNFABGMWDTXJB-SFHVURJKSA-N 486.001 2.130 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1CCc1nccs1)[C@H]1CCS(=O)(=O)C1 1507627830 GGRPDRNPCMLZBK-INIZCTEOSA-N 457.581 2.280 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H](c1ccccc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1507633775 GZYJFPKCLCAEDG-GOTSBHOMSA-N 478.622 2.194 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)Sc1ccccc1 1507671698 ONJGSCLJQYAMHW-FPOVZHCZSA-N 487.651 2.255 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2CC(=C)Br)CC1 1507733948 OSZRZGJPNBKWAQ-UHFFFAOYSA-N 465.396 2.071 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2Cc2cccnc2OCC)CC1 1507740429 TWTANUXOZDGRCP-UHFFFAOYSA-N 479.610 2.442 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1CCS(=O)(=O)CC 1507997638 WBTRLGPKFMICHG-UHFFFAOYSA-N 456.572 2.013 30 10 JEEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCC(C(=O)N2CCCC2)CC1 1508089643 CNXJZKPKYYOOBB-UHFFFAOYSA-N 466.586 2.307 30 10 JEEE C#CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1539071761 DHMNJGCBNPBCKR-PKTZIBPZSA-N 458.651 2.207 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(F)cc3Br)n2CCN(C)CCOC)CC1 1539436507 VCLBQZPUHRKFSZ-UHFFFAOYSA-N 479.398 2.180 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccc([C@@H](C)O)cc2)CC1 1539470206 ZEZQHHKVEFEAAP-NFQMXDRXSA-N 495.624 2.386 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2cccc(C)c2)nnc1N(C)CC(=O)N1CCOCC1 1539644439 OQJGSWSXMRBPOH-GBXCKJPGSA-N 469.586 2.442 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1540861924 LPJOTXNDYJOHAV-LJQANCHMSA-N 481.601 2.192 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2Cc2cnn(CC)c2)C1 1540885594 LZXZZCRTIORJTL-FQEVSTJZSA-N 485.614 2.241 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCN(c2ccccn2)CC1 1540901091 SEGPPPSGNAUMHE-UHFFFAOYSA-N 456.547 2.407 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCCN1CCc2ccccc2C1 1541934674 CHONDMXFWCCRLY-NTKDMRAZSA-N 485.658 2.467 30 10 JEEE CC(C)(C)OC(=O)[C@@H](Cc1ccccc1)NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1545399212 CXLQSNSLPHEKEW-GOSISDBHSA-N 457.552 2.184 30 10 JEEE CNC(=O)[C@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CCN1C(=O)c1ccc2c(c1)OCO2 1548369227 NZDXOFYVYZROBO-QGZVFWFLSA-N 460.412 2.383 30 10 JEEE CC[C@@H](C)[C@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)C(=O)NCC1(C#N)CC1 1556392677 CSSJMHDXNQCFQA-DYVFJYSZSA-N 454.980 2.155 30 10 JEEE CS(=O)(=O)Nc1cc(C(=O)N2CCN(c3ccc(C#N)nc3)CC2)cc(C(F)(F)F)c1 1558225345 GNBGRQKQMNJPTG-UHFFFAOYSA-N 453.446 2.306 30 10 JEEE C=CCN1C(=O)C(=O)N(CC(=O)Oc2ccc(OC(F)(F)F)c(Br)c2)C1=O 1585454366 LJTAUBTWABFZPW-UHFFFAOYSA-N 451.151 2.230 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H]1CCOC[C@@H]1OC)[C@@H]1CCS(=O)(=O)C1 1588040154 ISGCKPNHFOQNFM-VPWXQRGCSA-N 496.992 2.416 30 10 JEEE C#CCN(c1nnc(C2CC2)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1588050616 UAISBTFGMXPABC-AEFFLSMTSA-N 465.620 2.285 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1CCn1cc(Cl)cn1)[C@@H]1CCS(=O)(=O)C1 1588059321 LVPINVUPEJZQSX-HXUWFJFHSA-N 473.002 2.354 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1CCC(=O)NC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1588060079 ZALSAKXAWCZRFT-HXUWFJFHSA-N 471.627 2.109 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)(C)C)n2C[C@H]2CC[C@@]3(CCOC3)O2)n1 1588724201 VDXXVUCTZFZTDI-YKSBVNFPSA-N 456.591 2.396 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2CN(CC(C)C)CCO2)CC1 1588761779 AXHWFHVBHYVUOG-LJQANCHMSA-N 490.450 2.148 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@H](C)N(C)c2ccccc2)CC1 1588923883 PCEFALOEEFEMEM-IBGZPJMESA-N 458.570 2.226 30 10 JEEE C#CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1589036925 QVLUQIDNMMMKJQ-GOSISDBHSA-N 484.626 2.077 30 10 JEEE C=C(C)Cn1c(COc2ccccc2F)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1593677691 JCYNSQXWKQUJDB-UHFFFAOYSA-N 451.506 2.393 30 10 JEEE C=CC[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1CCOC1)c1ccccc1 1594545188 RHZAQNJFZWCVHH-NJDAHSKKSA-N 475.615 2.196 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCC[C@H](NC(C)=O)C1 1595506776 MKOHOUQQJICHRN-IBGZPJMESA-N 470.574 2.148 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(c2cccc(OCC)n2)CC1 1595530254 YHCXDTKLIKVTMD-UHFFFAOYSA-N 462.558 2.071 30 10 JEEE C=CCNC(=O)Cn1c(N2CCO[C@H](c3ccc(Cl)cc3)C2)nnc1[C@@]1(OCC)CCOC1 1595603184 ZFIKNZMUXBFZCC-WMZHIEFXSA-N 475.977 2.464 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)OCC)CC1 1595640032 RIVBZFJQJRDFHL-UHFFFAOYSA-N 456.547 2.308 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCN(c2ncccc2C#N)CC1 1595784879 MCRDDWSRVPSUIL-UHFFFAOYSA-N 481.557 2.278 30 10 JEEE C=CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1595850230 KLEAOQNNGMHWDT-QGZVFWFLSA-N 471.543 2.245 30 10 JEEE CC(=O)N1CCN(c2nnc(CCCc3ccccc3)n2CCN/C(O)=C2\N=CC=CC2=O)[C@H](C)C1 1596245774 WRXGNQBKISKRKS-WWDJGNSZSA-N 491.596 2.037 30 10 JEEE CCOC(=O)N[C@@H](CC(C)C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1 1616010770 GWYIWJQMIWDUJK-IBGZPJMESA-N 483.573 2.216 30 10 JEEE C[C@H]1CN(CCN(C)c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)C(C)(C)C)C[C@@H](C)O1 1620321992 CKJYYBKEWFEBCX-BGYRXZFFSA-N 497.644 2.436 30 10 JEEE CCOc1cc(CN(C)C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)ccc1OC(F)F 1624015599 BRIGGQKIYVJSRY-UHFFFAOYSA-N 453.467 2.495 30 10 JEEE CO[C@@H](CNC(=O)OC(C)(C)C)C(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1640947013 DVRPLYATDSGSFG-IBGZPJMESA-N 454.531 2.137 30 10 JEEE CC1(C)C(=O)N(C[C@](C)(O)C(=O)N2CCN(c3ccc(F)cc3C#N)CC2)c2ccccc21 1643806921 HIJPGATZVCSJBL-VWLOTQADSA-N 450.514 2.421 30 10 JEEE C=CCC[C@H](NS(=O)(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1)C(=O)OCC 1663384491 HNLQYUMCNPOXBD-IBGZPJMESA-N 458.602 2.428 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1c(CC)nn(C)c1OC 1689847602 CRVRNGNPLZONRQ-HNNXBMFYSA-N 460.542 2.003 30 10 JEEE C#CCCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)C[C@@H](C)C(=O)NC 1689876850 JZDIWLITXXVUJS-MRXNPFEDSA-N 459.620 2.168 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H](C)COC)[C@@H]1CCS(=O)(=O)C1 1689977919 HELINXLCWYRRRM-OXQOHEQNSA-N 473.599 2.056 30 10 JEEE C#CCN(c1nnc(C(C)C)n1CC(F)(F)CNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1689980611 VGPMDNVJAFUHAQ-OAHLLOKOSA-N 475.562 2.188 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1ccc(N(C)C)c(F)c1)[C@H]1CCS(=O)(=O)C1 1689989171 BUGKQLAVZHGMRG-GHTZIAJQSA-N 475.590 2.400 30 10 JEEE C#CCN(c1nnc(CSc2ccc(C)cc2)n1C[C@]1(C)COCCO1)[C@@H]1CCS(=O)(=O)C1 1689996307 GYJPSWSTPYZHDN-AUSIDOKSSA-N 490.651 2.311 30 10 JEEE C#CCN(CC)c1nnc(COc2ccc(Br)cc2)n1CCC(=O)N1CCOCC1 1690083395 DZQLTWNWQKODQF-UHFFFAOYSA-N 476.375 2.328 30 10 JEEE C#CCN1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2C[C@@H](CCC)OC)CC1 1690122500 SRAYQVVXDBEPGS-LJQANCHMSA-N 463.586 2.245 30 10 JEEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2CC2(S(C)(=O)=O)CCCC2)CC1 1690130206 BLZJWSRGFUPWCP-UHFFFAOYSA-N 485.654 2.185 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ncnn2C(C)(C)C)CC1 1690135592 ZMTSJNHNHBHLJZ-UYAOXDASSA-N 454.623 2.347 30 10 JEEE C#CCSCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[C@H](C(=O)NC)C1 1690160155 ZGJIBYVGQSXNMP-INIZCTEOSA-N 473.599 2.300 30 10 JEEE C=C(C)COCCn1c(COc2ccccc2OC)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1690319108 CYJNRYJFOKLNJW-HSZRJFAPSA-N 476.599 2.473 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(c2ncccn2)CC1 1690660826 OYNPQCROPHMHBD-QGZVFWFLSA-N 482.976 2.490 30 10 JEEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@H](C(=O)NCCCC)C1 1690669346 BCOGFPZRMCVGIN-KRWDZBQOSA-N 492.584 2.029 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC[C@H](C[C@@H]3CCOC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1690677336 UXTUIPRVLSXJMY-NMMYMHLASA-N 461.607 2.264 30 10 JEEE CC(C)OCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(N2CCNC2=O)CC1 1692621461 CGWCIMTXYZOXSC-UHFFFAOYSA-N 453.547 2.148 30 10 JEEE CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(N2CCCCC2)CC1 1696591798 AWPSQVZHUGGTCD-UHFFFAOYSA-N 451.575 2.272 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CC(=C)Br)[C@H]1CCS(=O)(=O)C1 1705559795 BLGWOKWMZJYREZ-KRWDZBQOSA-N 460.357 2.352 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCOc1ccc(Cl)cn1)[C@@H]1CCS(=O)(=O)C1 1705566307 NCAILRLYOVYTEU-MRXNPFEDSA-N 460.947 2.027 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CCN1CCN(Cc2ccccc2)CC1 1705589881 YTZHICHTWAGBSM-UHFFFAOYSA-N 496.619 2.206 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2CCN2CCCCC2)CC1 1705646434 YORZOQWAPYFUEW-UHFFFAOYSA-N 450.587 2.405 30 10 JEEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 1705658495 RGSMHAXUPLHERX-UHFFFAOYSA-N 469.659 2.457 30 10 JEEE C=CCN(C)c1nnc(-c2noc3c2COCC3)n1CC[C@H](N1CCOCC1)C(F)(F)F 1705841381 ZMDZBWUENCPMCW-INIZCTEOSA-N 456.469 2.281 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2COc3ccccc3O2)n1CCN/C(O)=C1/N=CC=CC1=O 1705875807 GUNJMLXHVWEWHU-DDYOIZNJSA-N 462.510 2.495 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCO[C@H]1C(C)C 1705876276 TURYLOXAQVEGMV-AABGKKOBSA-N 467.636 2.241 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1705906507 HPRNQECNJCHIMG-UHFFFAOYSA-N 492.971 2.406 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2CCS(=O)(=O)CC=C)C1 1705917584 WCUNZNXYOFJQFJ-MRXNPFEDSA-N 484.420 2.428 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@@H](C(C)C)C1 1705933676 OSFDSSAPMRNKSL-LJQANCHMSA-N 470.603 2.394 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc[nH]2)n1C[C@@H]1C[C@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1722377937 MBIOWODCIQGAIC-CMKODMSKSA-N 450.543 2.370 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@](C)(O)[C@@H](C)CC 1722446551 CZBRSOJVEFFSPX-XDHUDOTRSA-N 452.559 2.075 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](C)Cc2cccs2)CC1 1722448007 TYGFZLSBWMIJRQ-MJGOQNOKSA-N 489.667 2.086 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@](C)(C(N)=O)C1 1722495860 UICCIXIMMSZAQN-FHJLPGHOSA-N 473.599 2.032 30 10 JEEE C=C(Cl)Cn1c(Cc2csc(C)n2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1722578957 DXBXEJDVSNXNPK-KUHUBIRLSA-N 464.039 2.375 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CCCN(CC)C(=O)C1 1722696599 PNGLBONSZGSZFD-UHFFFAOYSA-N 461.364 2.068 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3nn(C(C)C)c(=O)c4ccccc34)n2CCC(=O)NC)C1 1722713725 JGISDIXWYGZNSD-KRWDZBQOSA-N 465.558 2.153 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H]2CCC[C@H]21 1722749665 IHAQYLIWLTZOPZ-QFBILLFUSA-N 464.613 2.328 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCO[C@@H](C(C)C)C1 1722751818 WBLFZOFCLIDFLA-HXUWFJFHSA-N 464.588 2.424 30 10 JEEE CC(C)CC[C@](C)(O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@H](C#N)C1 1723361601 CTPBRDAFPYCCHM-OSPHWJPCSA-N 465.558 2.108 30 10 JEEE CN(C)C(=O)C1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)CCCC1 1729293817 HCRPWCIQMBKGMS-LJQANCHMSA-N 470.599 2.089 30 10 JEEE CN(C)CCOc1cccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC(CC#N)CC2)c1 1729337801 DWHZJHHDKNRSIO-NRFANRHFSA-N 451.575 2.348 30 10 JEEE COC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1)OC 1730465829 AXCWPKDQNQLWFH-OFNKIYASSA-N 495.628 2.001 30 10 JEEE COCCN(C)S(=O)(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cc(C)on2)C1 1730733345 BEQWDDMVEOITLS-NRFANRHFSA-N 499.597 2.038 30 10 JEEE CS(=O)(=O)CC1(Cn2c(CNC(=O)c3cccs3)nnc2N2CCC(CC#N)CC2)CC1 1731000078 FTPFCANRUOAOMA-UHFFFAOYSA-N 476.628 2.224 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCSC1(C)C)[C@@H]1CCS(=O)(=O)C1 1740627258 OXDSXJWQBWJWTM-KZNAEPCWSA-N 452.646 2.331 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@H]1CSCCS1)[C@H]1CCS(=O)(=O)C1 1740627772 KMPHVVLHOPXOGU-HKUYNNGSSA-N 496.655 2.472 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1nnnn1CC1CC1 1740675270 LSGVSYRGTRLWNI-KRWDZBQOSA-N 455.567 2.254 30 10 JEEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2CCCN2CCCO[C@@H](C)C2)CC1 1740699245 ZHZHEICMDKFCSF-QHCPKHFHSA-N 480.657 2.328 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC(F)(F)F)CC1 1740702083 IAJBPZLIPMQGIV-UHFFFAOYSA-N 482.894 2.390 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2c(C)coc2C)CC1 1740708261 IVMKVPPQLBCGKZ-UHFFFAOYSA-N 480.594 2.494 30 10 JEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 1740709743 QTDRDQYDWUKKLE-WMZOPIPTSA-N 493.630 2.493 30 10 JEEE C=C(Br)Cn1c(-c2ccccn2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1740741600 OAHAYKYZLFAMPJ-HNAYVOBHSA-N 474.407 2.238 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1740795219 QBRMSXXFODMCKI-YADHBBJMSA-N 468.602 2.113 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 1740795307 RYQSJXAAKPDBOQ-LJQANCHMSA-N 489.646 2.013 30 10 JEEE C=CCNC(=O)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CC[C@H](C)[C@H]1C 1740962697 LSZLNQJWVUZKQQ-LEWJYISDSA-N 451.619 2.180 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCO[C@H](c2noc(C)n2)C1 1740963683 UCBWQHHPPVBEQT-IBGZPJMESA-N 467.530 2.045 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCCN2CCC)C1 1740979235 CCDVJKKURRFMLE-VAMGGRTRSA-N 451.637 2.226 30 10 JEEE C=CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(S(C)(=O)=O)CC1 1741007139 VNTWVTJSOILGTR-IAGOWNOFSA-N 457.666 2.198 30 10 JEEE CC(C)SCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1741766426 FAGWZGRGUKYBRB-GOSISDBHSA-N 465.587 2.490 30 10 JEEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2N(C)CCCC2(C)C)C1 1746536658 GUUBFBYUQJLJPL-NHCUHLMSSA-N 485.658 2.455 30 10 JEEE CNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN([C@H](C)c2nc(C(C)C)no2)CC1 1748277019 FPBOGANCGBYHCW-QGZVFWFLSA-N 477.573 2.342 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OCC)CCOC3)n2CCN2CCCCC2)c1 1748692505 YJQVVOWLCICAMX-AREMUKBSSA-N 480.613 2.472 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2Cc2c(C)nn(C)c2C)c1 1748693178 ZVEFPVVBWOVORZ-UHFFFAOYSA-N 457.542 2.133 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H]1CC(F)(F)CO1)[C@@H]1CCS(=O)(=O)C1 1748808024 GGDNEPXEMUYYRH-VQIMIIECSA-N 496.536 2.013 30 10 JEEE C#CCN(c1nnc(-c2ccc(F)cc2Br)n1CC1(O)CCC1)[C@H]1CCS(=O)(=O)C1 1748808693 GEDLBPHSAWNDET-HNNXBMFYSA-N 497.390 2.388 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CCc1ccc(OC)cc1OC)[C@@H]1CCS(=O)(=O)C1 1748820005 WYZZGDBNEILTIP-OAQYLSRUSA-N 495.605 2.151 30 10 JEEE C#CCN(c1nnc(CCOc2ccccc2)n1C[C@H]1CCCN1CC)[C@H]1CCS(=O)(=O)C1 1748820490 COLYQLYIUJPRQT-RTWAWAEBSA-N 471.627 2.011 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1C[C@H]1CCCN1C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1748822100 XQDWMFZWAPLGEH-MOPGFXCFSA-N 477.631 2.257 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@]1(C)CN(C2CC2)C1=O 1748969565 WBSLWJHFLVWJJK-DFBJGRDBSA-N 486.617 2.447 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](c2cccs2)N(C)C)CC1 1748972726 PDKNFKZHWASMSY-SFHVURJKSA-N 464.599 2.045 30 10 JEEE C=C(Br)Cn1c(-c2noc3c2COCC3)nnc1N1CC[C@@H](COCCOC)C1 1749097730 HZZBBCWNIVKCTI-CQSZACIVSA-N 468.352 2.404 30 10 JEEE C=C(Br)Cn1c(COCC)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1749112049 AAXXNDRJIPDRIJ-UHFFFAOYSA-N 469.428 2.294 30 10 JEEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1749199179 HKELZONKYCBNIX-UHFFFAOYSA-N 465.583 2.271 30 10 JEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(C)c(OC)c1)C1CC1 1749519670 PANNHRGCLKFCNT-OAQYLSRUSA-N 475.615 2.326 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1749680725 OZTCNLYSOCRSNQ-HSZRJFAPSA-N 474.993 2.114 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)c2ccccc2)CC1 1749731864 MNECGQHZVVROAT-HXUWFJFHSA-N 473.599 2.083 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1CCCN(CC)S(C)(=O)=O 1760101061 HZNKKHXIDJRZIG-AWEZNQCLSA-N 471.425 2.176 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1cccc(C)c1)N1CCOCC1 1760117523 PYIZABQZFKTGEN-KSEOMHKRSA-N 471.627 2.020 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1CCN(C)CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1760189991 NFCHZODUJYSAFU-MRXNPFEDSA-N 475.562 2.051 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@@H]1CCC[C@@H]1OC)[C@H]1CCS(=O)(=O)C1 1760190402 QEEPMVXYQWPEKW-ZJOUEHCJSA-N 460.575 2.450 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1C[C@H](c1ccc(C)cc1)N1CCOCC1 1760248877 FLIYPSDBUHMZIE-XZOQPEGZSA-N 453.587 2.250 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCOc2ccc(OC)cc2)CC1 1760270591 ZTDRVKIXOSCYTE-HXUWFJFHSA-N 467.570 2.226 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1760272270 DYYMLKMFLNUJAH-QGZVFWFLSA-N 450.572 2.094 30 10 JEEE C#CCSCCn1c(-c2ccccc2F)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1760278064 KVLXIBBGMHIQMN-UHFFFAOYSA-N 451.593 2.311 30 10 JEEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N(CCO)Cc1ccccc1OC 1760299604 AVOZAABYSZXEHH-UHFFFAOYSA-N 452.353 2.332 30 10 JEEE C=C(Cl)Cn1c(N2C[C@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)nnc1[C@]1(OCC)CCOC1 1760386614 DAFJARCKNNHYSB-WGGBDISSSA-N 481.041 2.062 30 10 JEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCNC(=O)c2cccc(C)c2)CC1 1760397351 RASOHXIBYXSSLP-QGZVFWFLSA-N 460.604 2.029 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@](O)(c1ccccc1)C(F)(F)F 1760505404 SUMYXPYWNXUVQO-OXJNMPFZSA-N 488.532 2.269 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1760520709 XOFVYSKWSRZEFB-DLBZAZTESA-N 474.993 2.268 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1760528232 WKMDPNXDSLXSLU-QFIPXVFZSA-N 456.572 2.212 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccccc2-c2cnn(C)c2)C1 1760535405 QFEXKVJGOZFBOR-FXAWDEMLSA-N 485.614 2.118 30 10 JEEE CC[C@@H](C)NC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C(=O)OC)CC1 1763943724 FTJWDDADHWPBTB-QGZVFWFLSA-N 468.558 2.423 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCOC2)n1CCN1CCOC[C@@H]1C 1769818697 CDRBEEAULRQJSD-UGKGYDQZSA-N 454.575 2.027 30 10 JEEE C=CCN(CC=C)c1nc(NC(=O)COc2cc(F)ccc2F)n([C@H]2CCS(=O)(=O)C2)n1 1870004652 HAYCLFDXXDPXAM-HNNXBMFYSA-N 467.498 2.112 30 10 JEEE COc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)NCC(=O)Nc3cccc(C#N)c3)CC2)cc1 1873866329 CHLGZEYDYISCAD-UAPYVXQJSA-N 484.578 2.406 30 10 JEEE COc1ccc(N2C[C@@H](c3nnc(SCCO)n3/N=C/c3ccc(OC)c(O)c3)CC2=O)cc1 1874198410 ZYLXLRGWFPITNO-CBFMJHRQSA-N 483.550 2.488 30 10 JEEE CCN1CCN(CC#CCOC2CCN(C(=O)CCc3cc(OC)c(OC)c(OC)c3)CC2)CC1 1890511881 KHRCQPYQLFOEAY-UHFFFAOYSA-N 487.641 2.294 30 10 JEEE N#Cc1cccnc1OCC1CCN(S(=O)(=O)c2cc3c4c(c2)CCN4C(=O)CC3)CC1 1891649529 PMRJZPYCURTIHM-UHFFFAOYSA-N 452.536 2.268 30 10 JEEE C[C@H]1C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COP(=O)(O)O 1933252273 RTGFWMCLUOVPAE-YUHMRUKNSA-N 488.901 2.282 30 10 JEEE COCCN1C(=O)C(=Cc2c(C)c(C#N)c(=O)n(C)c2N2C[C@@H](C)O[C@H](C)C2)SC1=S 2053510709 ORDSXEVMFWMMHP-CHWSQXEVSA-N 462.597 2.027 30 10 JEEE COC[C@]1(C(=O)N2CC(CB3OC(C)(C)C(C)(C)O3)C2)CN(C(=O)OC(C)(C)C)CCO1 2124539519 WMQSHOSRQQKXRU-QFIPXVFZSA-N 454.373 2.190 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H]1C(=O)NCCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2180985985 WCJLBWINUQXYRH-RBUKOAKNSA-N 460.380 2.015 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2CCO[C@@H](CN(C)C(=O)OC(C)(C)C)C2)C1 2255152423 AWVNUCNQFWVDTO-BNGSBABLSA-N 451.564 2.387 30 10 JEEE COC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)o1 2267288854 HTPFSLURAITESK-OAHLLOKOSA-N 450.341 2.287 30 10 JEEE CN(CCOCCNC(=O)OC(C)(C)C)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2267464773 JXQVARLTEQBUOP-UHFFFAOYSA-N 490.453 2.209 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(F)c(C(=O)NC[C@@H](O)CNC(=O)OC(C)(C)C)c1 2267532270 BZKFYQYLQHFBMI-CQSZACIVSA-N 452.332 2.049 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H]1C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)c1F 2268642655 GBTPFAUMUFMITG-XJKSGUPXSA-N 450.316 2.434 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1)[C@H]1CCCO1 2268700914 MORSWHZZZYJXPH-CZUORRHYSA-N 467.397 2.131 30 10 JEEE Cc1cc(CNC(=O)[C@H](CN(C)C)NC(=O)OC(C)(C)C)sc1B1OC(C)(C)C(C)(C)O1 2268707491 TUVWKBHXPSCIHU-INIZCTEOSA-N 467.441 2.427 30 10 JEEE CC(C)(C)OC(=O)N1CCCC[C@H]2[C@H]1[C@@H]2C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2268720092 PRLJUAROXJDQMF-MCIONIFRSA-N 464.397 2.233 30 10 JEEE CN(C)[S@](=O)(=NC(=O)[C@H]1C[C@@H]1B1OC(C)(C)C(C)(C)O1)N1CCN(C(=O)OC(C)(C)C)CC1 2281925067 WKYRPXOPDWKRIO-XRTHXLFNSA-N 486.444 2.408 30 10 JEEE C[C@@H]1CC[C@@H](NC(=O)C(F)(F)F)CN1C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2282050779 DGSJZILPZWIAHH-DGCLKSJQSA-N 459.249 2.192 30 10 JEEE C[C@@H]1CN(S(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C[C@H]1CNC(=O)OC(C)(C)C 2282351437 AJFVAYIPJLATRX-HZPDHXFCSA-N 481.424 2.162 30 10 JEEE C[C@@H]1C[C@H](CNC(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)CCN1C(=O)OC(C)(C)C 2282552476 KPFIMPHSCHLCPV-HZPDHXFCSA-N 462.400 2.485 30 10 JEEE C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)CCO1 2282678522 NMWDKVUQQJURKM-CRAIPNDOSA-N 461.368 2.135 30 10 JEEE C[C@H](NC(=O)C1=C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C1)c1nscc1B1OC(C)(C)C(C)(C)O1 2284046123 WBLVRJASUXNCIV-MAZHCROVSA-N 479.408 2.204 30 10 JEEE Cc1cc(CNC(=O)[C@@H](CCC(N)=O)NC(=O)OC(C)(C)C)sc1B1OC(C)(C)C(C)(C)O1 2284051844 BCDVZOLYNIOCTL-OAHLLOKOSA-N 481.424 2.131 30 10 JEEE COC(=O)c1[nH]c(C)c(C(O)=C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2cccc(OC)c2OC)c1C 2296103092 OSTXKLNZRCWPBJ-HXUWFJFHSA-N 485.537 2.419 30 10 JEEE CCOc1ccc(C(O)=C2C(=O)C(=O)N(CCOCCO)[C@@H]2c2ccccc2[N+](=O)[O-])cc1 2296185183 CNYBNPJFFCOCSD-HXUWFJFHSA-N 456.451 2.424 30 10 JEEE Cn1ccc(C(=O)N2C[C@@H](C(N)=O)[C@@H](C3CCN(c4ccc(C#N)c(C(F)(F)F)c4)CC3)C2)n1 2297650536 OYKMULBCOQCPQH-QZTJIDSGSA-N 474.487 2.401 30 10 JEEE Cn1ncc(C(=O)N2[C@H]3CC[C@@H]2C[C@H]3CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2359262889 ASRMOBDXLKEJMV-UXLLHSPISA-N 460.384 2.237 30 10 JEEE CC(C)(C)OC(=O)N1CC(N(C(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)[C@H]2CCOC2)C1 2362575007 PATRFWGWTKOFCY-AWEZNQCLSA-N 479.408 2.293 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@H]2C[C@H](NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)c[nH]3)C[C@@H]21 2368868630 ZGRJHCUBQJXHNB-BPQIPLTHSA-N 461.368 2.211 30 10 JEEE C#CCn1/c(=N/C(=O)[C@H]2CCCCN2S(C)(=O)=O)sc2cc(Br)ccc21 13794921 HTHUKVRPXXDLBO-RMYFCYLKSA-N 456.387 2.340 30 10 JEEE C=CCn1c(SCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)nnc1C(F)(F)F 20840219 BUZMMARDTPJXEW-UHFFFAOYSA-N 491.517 2.235 30 10 JEEE C[C@H](C[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)C(C)(C)O 256501470 IJRBORPEVKCEQD-HZWMATRTSA-N 494.669 2.100 30 10 JEEE biogenic COc1ccc(N2C(=O)C(Sc3nc(C)cc(C)c3C#N)=C(N3CCN(CCO)CC3)C2=O)cc1 526693933 CEKRIHPWSIHLEV-UHFFFAOYSA-N 493.589 2.066 30 10 JEEE CC(C)C(=O)N1CCCc2ccc(NC(=O)C(=O)NCC3CCN(c4nccnc4C#N)CC3)cc21 585226792 AQJJWWMGYDYJAM-UHFFFAOYSA-N 489.580 2.255 30 10 JEEE CN(C)C(=O)Cn1c(=C(C#N)C(=O)c2cccc(Cl)c2)sc(=Cc2ccccc2)c1=O 618433470 BQSRXHRTINYINF-UHFFFAOYSA-N 451.935 2.037 30 10 JEEE C=CCn1cc(C=NNc2nnc(SCC(=O)Nc3sc4c(c3C#N)CCCC4)n2N)cn1 1084425133 RMCSEVOCXDXUSP-UHFFFAOYSA-N 482.599 2.363 30 10 JEEE COc1ccc(Br)c(CNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)c1 1141865787 FDJGRBHVBUJVNV-GFCCVEGCSA-N 452.330 2.313 30 10 JEEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)c2ccccc2OCc2ccccc2)CC1 1225494840 LRGPTDQWSSLDAL-IBGZPJMESA-N 456.568 2.121 30 10 JEEE C#CCCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1286336212 ZTUWWGAQYTZYRF-UHFFFAOYSA-N 480.613 2.451 30 10 JEEE C#CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1286338812 FPUJDURNXPOWHF-QGZVFWFLSA-N 461.588 2.141 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccoc1)[C@@H]1CCS(=O)(=O)C1 1286382644 JWTPUDBICVYOBY-OAHLLOKOSA-N 464.345 2.304 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnn(C)c2)n1CC1(S(C)(=O)=O)CCC1 1286456422 RESCEZJKKFFHMV-UHFFFAOYSA-N 456.547 2.425 30 10 JEEE C=C(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)N(CC)C[C@H]1C)c1ccccc1 1286616646 AOGAVFMUYHEDEI-VWPQPMDRSA-N 488.658 2.243 30 10 JEEE C=C(Cl)Cn1c(-c2cc(Br)cn2C)nnc1N1CCCN(S(C)(=O)=O)CC1 1286622248 NIOYTAHYJZYECW-UHFFFAOYSA-N 477.816 2.270 30 10 JEEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(CC(F)(F)F)CC1 1286682707 BYVXHIIOENHKHN-OAHLLOKOSA-N 452.547 2.319 30 10 JEEE C=CCCOCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCc2nn(C)c(=O)cc2C1 1286709062 LLZFQAHGRUYKQX-UHFFFAOYSA-N 466.542 2.211 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1286778512 BOUYVECMEZZJOT-LVCYWYKZSA-N 482.585 2.176 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 1286785725 QZRVZJBPAWAGLV-MRXNPFEDSA-N 482.976 2.489 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCCN(c2ccccc2C#N)CC1 1286788654 AUFVYPQHVANZJI-UHFFFAOYSA-N 456.554 2.154 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1286815740 ADJOFTNZPUSGGN-SLFFLAALSA-N 487.626 2.351 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2CC)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1286822949 JJERARFWOGRKIT-VQTJNVASSA-N 487.626 2.268 30 10 JEEE C#CCCCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1300403147 JIYJTTQPQVYJCK-MRXNPFEDSA-N 472.546 2.149 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@](C)(O)c1cc(C)oc1C)[C@@H]1CCS(=O)(=O)C1 1300498122 HCVFYAIGWKXLLB-YKSBVNFPSA-N 483.594 2.008 30 10 JEEE C#CCN(CC#CC)c1nnc(Cc2csc(C)n2)n1Cc1ccc(N2CCOCC2)nc1 1300587408 NKCNYCLIKYAFHR-UHFFFAOYSA-N 461.595 2.377 30 10 JEEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1CCN(C(=O)OC)CC1 1300626414 SSYRLBUBYJYWRB-UHFFFAOYSA-N 466.590 2.390 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@](C)(O)c2cccs2)CC1 1300684944 CTDILYPVOQELNQ-XZOQPEGZSA-N 459.616 2.043 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC2(O)CCCC2)CC1 1300715643 AXDBIKLBICFQFA-UHFFFAOYSA-N 467.570 2.233 30 10 JEEE COCC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCO[C@H]2C(C)C)CC1 1300899344 FJSXMVCMEDNORR-BWKNWUBXSA-N 496.612 2.475 30 10 JEEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1301259779 RDPXOCDVRYZPML-MSOLQXFVSA-N 462.595 2.343 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(OC(C)(C)C)nc2)C1 1301538496 IFTXMPNRQDFMPM-FUHWJXTLSA-N 478.619 2.290 30 10 JEEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN(c3ccccc3OCCOC)CC2)c1 1309292847 PTHPVCZVFKNRGV-UHFFFAOYSA-N 459.568 2.139 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cnccc1OC 1358890130 LMQPKWQQEJYZTQ-SJLPKXTDSA-N 456.547 2.496 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@@H]1CCOC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1358959564 LNRPTCGSJFGQKP-CEXWTWQISA-N 458.584 2.253 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ccc(N(CC)CC)cc1)[C@H]1CCS(=O)(=O)C1 1358960778 LQRHRFOTIIATDY-NRFANRHFSA-N 479.610 2.256 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1cccc(SCC)c1)[C@H]1CCS(=O)(=O)C1 1358961014 QGSSJNDJESUISW-IBGZPJMESA-N 470.624 2.466 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@@H]1CC[C@H](F)C1)[C@H]1CCS(=O)(=O)C1 1358965376 UBGVCZRGTGDTCE-RYRKJORJSA-N 451.593 2.399 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2Cc2cccc(C(=O)N[C@@H](C)CC)c2)CC1 1359036124 NURZRUCVDRGNAO-SIKLNZKXSA-N 450.587 2.114 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)Nc2cccc(C)c2C)CC1 1359132116 NUUJKKPBJORKMM-QFIPXVFZSA-N 495.628 2.199 30 10 JEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(OC(C)C)CC1 1359203372 NXGSKDGNVFBRBZ-IBGZPJMESA-N 455.625 2.361 30 10 JEEE C=CCN(CCOC)c1nnc(-c2ccc(OC)c(Br)c2)n1CC(=O)N(C)C 1359279642 OCTMHTOXEIDNLB-UHFFFAOYSA-N 452.353 2.443 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)[C@@H](C)c1ccco1 1359294572 XYQCQXQQGCZQHS-INIZCTEOSA-N 472.571 2.288 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H]1c1nncn1C 1359309650 ZQSBHNHJTXCYAZ-GOSISDBHSA-N 450.547 2.499 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3OC)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1359317925 TUHLJAWDWMEDTQ-QZTJIDSGSA-N 461.588 2.159 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 1359330093 GNXSGIPMJIJUPZ-LJQANCHMSA-N 473.521 2.471 30 10 JEEE CC(C)(C)[S@@](=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@H](C#N)C1 1359588027 HKLAYZHIGRSYLK-QWVSSGJLSA-N 455.382 2.312 30 10 JEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCC[S@](=O)Cc3ccccc3)CC2)cc1 1435215464 FNBKACSMZRIPCZ-PMERELPUSA-N 459.593 2.024 30 10 JEEE C#CCN(C(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1)[C@H]1CCCc2ccccc21 1456264966 DMXVZJRLUOMLEO-AVRDEDQJSA-N 451.548 2.226 30 10 JEEE N#Cc1cccc(NC(=O)C2CCN(C(=O)[C@H](O)[C@H](O)c3nc4ccccc4s3)CC2)c1 1464692633 HLJWIEGLCQEOPT-VQTJNVASSA-N 450.520 2.440 30 10 JEEE C#CCNC(=O)CN1CCCN(C(=O)c2ccc(OCc3cn4cc(C)ccc4n3)cc2)CC1 1464845870 GYCCGVOJAFNPFN-UHFFFAOYSA-N 459.550 2.119 30 10 JEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2nc(C(=O)OCC)cs2)CC1 1472395459 ODJFNTULKZKBQB-OAHLLOKOSA-N 450.561 2.275 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2C[C@@](C)(O)c2ccco2)c1 1507550046 STAAUTSDGLCKMH-XMMPIXPASA-N 457.494 2.292 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1CCS(=O)(=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1507630453 ZAFNELFZEYNEOP-SFHVURJKSA-N 478.640 2.094 30 10 JEEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1[C@@H]1C[C@H]1CCC)[C@H]1CCS(=O)(=O)C1 1507641059 YSASGEWMBCFMMT-IXDOHACOSA-N 461.613 2.257 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CCS(=O)(=O)C1 1507700322 QGBHHJBBIJUCBQ-XXBNENTESA-N 476.574 2.144 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2Cc2nccn2C(F)F)CC1 1507723204 ZLMHAALYOGAKLL-UHFFFAOYSA-N 457.485 2.357 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H]2CCCN2CCCO)CC1 1507734027 FUQOIGGAPAFEBK-QFIPXVFZSA-N 485.032 2.411 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCCCS(C)(=O)=O)CC1 1507735122 LAKAOQZBLUGJQG-UHFFFAOYSA-N 493.033 2.174 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H]2CCOC[C@@H]2OC)CC1 1507741412 RXCFVYXMJAGCOY-LNRXMEIDSA-N 487.645 2.214 30 10 JEEE C=C(C)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCN(CC(=O)NCCOC)CC1 1507824577 DMGFSVSNLWDNCV-UHFFFAOYSA-N 495.397 2.307 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 1507842451 APLJTPFLBBVKIT-KRWDZBQOSA-N 458.588 2.154 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)C[C@H]1COc2ccccc2O1 1507868055 DVRHJAMQIYASHL-LPHOPBHVSA-N 498.005 2.030 30 10 JEEE C=C1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1507889244 DIHQFRLFQNQXQJ-BBWFWOEESA-N 473.578 2.193 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@](C)(N2CCOCC2)C1 1508074631 RFUMLJOMMHQULB-QHCPKHFHSA-N 474.993 2.210 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(Cc2ccc(OC)c(F)c2)CC1 1508080443 BBAWKJDRQRAQLG-UHFFFAOYSA-N 467.549 2.056 30 10 JEEE C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1ncccc1N(C)C 1508434320 CBQKQLRGTXHIMN-QZTJIDSGSA-N 497.625 2.496 30 10 JEEE CCCC(O)(CCC)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1514352606 BBLDGNDVUXUWRZ-LJQANCHMSA-N 466.590 2.154 30 10 JEEE CCN1CCCC[C@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C#N)C1 1515858626 ALFPARXOOPIEDH-PMACEKPBSA-N 471.993 2.465 30 10 JEEE CO[C@H]1COCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1518634385 ACLHKNSYYNOZDZ-VNHKHXMHSA-N 468.602 2.414 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1Cc1cccc(OCC)c1)[C@H]1CCS(=O)(=O)C1 1539205073 FZEHITBMSIBGDV-RDPSFJRHSA-N 488.610 2.004 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1ccc(C)cc1OCCOC)[C@H]1CCS(=O)(=O)C1 1539216701 VYZARYRPNOPQDG-QFIPXVFZSA-N 495.605 2.349 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@H]1CCOC[C@H]1OC 1539301561 QIAUGASNXPCWHY-PGRDOPGGSA-N 468.554 2.485 30 10 JEEE C#CCN(CCOC)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc2nsnc2c1 1539420557 HQIQJDJFQSJSNS-UHFFFAOYSA-N 467.580 2.409 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2Cc2ccc(NC(C)=O)nc2)CC1 1539441522 RVYZDUKZHTVSLR-UHFFFAOYSA-N 475.553 2.119 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC(=C)Br)CC1 1539451818 AXRRSIAQJIJQLA-QGZVFWFLSA-N 495.422 2.250 30 10 JEEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCC(NC(=O)C(C)C)CC1 1539511594 ZBAXQQPTXVFDKJ-UHFFFAOYSA-N 458.588 2.113 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)cn2C)n1C[C@H]1CCCN1S(C)(=O)=O 1539541136 AIODTXRCLSNDOR-OXQOHEQNSA-N 495.447 2.462 30 10 JEEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1ccc(F)cn1 1541893862 DEBHFLJLKUABSG-HNNXBMFYSA-N 458.519 2.180 30 10 JEEE CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCc2nc(C)no2)CC1 1545710720 GHDBQWLJAMXOTB-GOSISDBHSA-N 491.600 2.178 30 10 JEEE CN(C)C(=O)[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CC12CCN(S(C)(=O)=O)CC2 1548379696 YCVOBERXDWKYDG-KRWDZBQOSA-N 458.506 2.143 30 10 JEEE CNC(=O)[C@@H]1CC2(CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)CN1C(=O)Cn1cccn1 1548380386 SWGJRUIILJAIRO-IBGZPJMESA-N 474.487 2.407 30 10 JEEE CCCC[C@H](NC(=O)[C@H](C)NC(=O)C(C)(C)C)C(=O)N1CCN(c2ccc(C#N)cc2)CC1 1586110773 BHHPLGRNIWEWAZ-RXVVDRJESA-N 455.603 2.433 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccc(C)n3)n2C[C@@H]2CCS(=O)(=O)C2)c1 1587689920 SSYUWKXXWMHSTB-IBGZPJMESA-N 478.578 2.139 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2C[C@H]2CCC[C@@H]2OC)c1 1587697751 WYXBYOXUADGTBU-CTNGQTDRSA-N 464.570 2.272 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@H](C)c1nccs1)[C@H]1CCS(=O)(=O)C1 1588065334 WXIRVTDCPCRULT-WMZOPIPTSA-N 456.597 2.151 30 10 JEEE C#CCN(c1nnc(COCC)n1C[C@@H]1CCCO[C@H]1C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1588075110 XWXOIYFWFJZZNS-CMKODMSKSA-N 452.621 2.283 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(c2ccccc2C)CCOCC1 1588140454 XWPQUWOWPIBQTD-NRFANRHFSA-N 466.607 2.310 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1CCc2ccccc2C1 1588647938 ZPPHTOZATFSXSA-QFIPXVFZSA-N 485.654 2.103 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(OC)cc2C(F)(F)F)CC1 1588733710 YTNWEDIEHVDYNN-UHFFFAOYSA-N 476.503 2.345 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC2(S(C)(=O)=O)CCCC2)CC1 1588780649 UWRNYGIOGVFSEM-UHFFFAOYSA-N 487.626 2.075 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2ccc(NC(C)=O)cc2)CC1 1588930160 ORHDIILLBUIQDD-QFIPXVFZSA-N 464.570 2.492 30 10 JEEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C(C)=O)cc2F)CC1 1593806434 BGKMNXGSVADAJM-AWEZNQCLSA-N 484.985 2.309 30 10 JEEE C=C(Cl)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(C(=O)NCCOC)CC1 1593908326 JFBYZUWAZKWVDF-UHFFFAOYSA-N 466.995 2.001 30 10 JEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](Oc2ccccc2Cl)C1 1595405611 UBRUGMOVNCKONB-QAPCUYQASA-N 467.979 2.108 30 10 JEEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)Cc1ccoc1C 1595529747 FYSOVBYADNZQQV-UHFFFAOYSA-N 457.560 2.078 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCN([C@@H](C)c2nccs2)CC1 1595812547 XVJYIOWGAOKEEB-SFHVURJKSA-N 487.655 2.204 30 10 JEEE C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCC(C#N)CC2)n1CC1(O)CCS(=O)(=O)CC1 1611734520 HTDJVBBBYNZFOE-MRXNPFEDSA-N 477.562 2.237 30 10 JEEE Cc1ccc(SCc2nnc(N3CCO[C@H](C#N)C3)n2CC2CCS(=O)(=O)CC2)cc1 1612166768 BJDRSYOUXXJGAX-GOSISDBHSA-N 461.613 2.432 30 10 JEEE CCN(C)C(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1615134212 GFJLKEVXEZHCSI-IBGZPJMESA-N 493.593 2.197 30 10 JEEE C=CCCCS(=O)(=O)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1622237146 NOLNNLXXLRCFEY-ROUUACIJSA-N 456.609 2.150 30 10 JEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc([C@]2(C)NC(=O)NC2=O)c1 1626461429 ARPAOYYVPSWWMY-BTYIYWSLSA-N 450.923 2.393 30 10 JEEE C#Cc1ccc(C(=O)N2CC[C@H]3[C@@H](C2)NC(=O)N3C2CCN(C(=O)OC(C)(C)C)CC2)cn1 1642785694 UABAFAHUKBMYFY-UXHICEINSA-N 453.543 2.071 30 10 JEEE C=CC[C@@H](CC)NC(=O)N1CCN(S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)CC1 1681883704 ZIMZODIZCVRFGJ-CYBMUJFWSA-N 456.952 2.042 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1COCCC 1689852830 LERKRWILGUVCSG-NQIIRXRSSA-N 475.615 2.044 30 10 JEEE C#CCCCn1c(-c2ccc(Br)s2)nnc1N(C)CC(=O)N1CCOCC1 1689918213 VHUOZLIJMXHPQM-UHFFFAOYSA-N 452.378 2.478 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CCCCN1CCOCC1)[C@H]1CCS(=O)(=O)C1 1689984062 KOXTUDJTHUIPMU-QHCPKHFHSA-N 485.654 2.247 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)o2)n1Cc1ccc(C(=O)NCC)cc1)[C@H]1CCS(=O)(=O)C1 1689984810 VTIWJWMSFGWOOY-FQEVSTJZSA-N 481.578 2.271 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1Cc1nccn1C(F)F)[C@@H]1CCS(=O)(=O)C1 1689996872 QAHXZUOEJBYRSJ-QGZVFWFLSA-N 490.536 2.432 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCC[C@@H]2C(F)(F)F)CC1 1690124658 QERGJDZJKCGXFH-BZSNNMDCSA-N 473.565 2.304 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2Cc2nncn2C)CC1 1690139776 ZYCYWZZFSANEFP-UHFFFAOYSA-N 497.401 2.159 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2CC(C)(C)N2CCOCC2)CC1 1690140245 RPMQOLPYEYTRBR-UHFFFAOYSA-N 468.577 2.161 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@@H](C)N2CCC[C@@H](C)C2)CC1 1690148477 IOEPYJWOPRFEFQ-NHCUHLMSSA-N 463.630 2.350 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1690572018 QHZLDNXLACJION-GOSISDBHSA-N 490.605 2.014 30 10 JEEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(CC(C)(C)C)n1CCNC(=O)C(C)(C)C 1693744783 BAIJTCAZJOSSPI-KRWDZBQOSA-N 467.622 2.406 30 10 JEEE CCOCc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CCC(=O)NC(C)C 1696323110 GLUDYPAKDQPPGO-UHFFFAOYSA-N 453.591 2.313 30 10 JEEE CCS(=O)(=O)NCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@@](C)(C#N)C1 1696500934 HYMCZQVOXOAGOJ-NRFANRHFSA-N 462.576 2.032 30 10 JEEE COCC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1697725165 FAANIAJJFPAZAT-HXUWFJFHSA-N 472.615 2.494 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1Cc1ncccc1N(C)C)[C@H]1CCS(=O)(=O)C1 1705570419 MZXZSQOMJYHWCT-IBGZPJMESA-N 482.585 2.144 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@](C)(O)c2ccsc2)CC1 1705648624 UYPBHMASYJCPGY-WZONZLPQSA-N 457.600 2.107 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2CCN(C)C(C)C)CC1 1705650372 QKRXNMTWAGDXSD-UHFFFAOYSA-N 458.557 2.453 30 10 JEEE C=CCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](n2cncn2)C1 1705826358 CCLBJCSGTUIWFX-LJQANCHMSA-N 471.587 2.374 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC([C@H]3CC3(F)F)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1705908705 UJDORFBSPNFUMF-DYESRHJHSA-N 453.534 2.493 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2C[C@H](OC)[C@H](OC)C2)cc1 1705909649 CXWWJEUIXWBVFO-BGYRXZFFSA-N 464.526 2.389 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@H](C)S[C@@H](C)C1 1705934817 YIMVOGOQYYLTFS-HOTGVXAUSA-N 488.639 2.123 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N(C)C1CCC(NC(C)=O)CC1 1705937263 OLXSZOGJDGQENB-UHFFFAOYSA-N 465.645 2.415 30 10 JEEE CCN(CC)C(=O)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@H]1C 1709996959 IDTSCPBFOJAPEV-GOSISDBHSA-N 467.574 2.044 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1ccc(C)cc1OCCOC)[C@H]1CCS(=O)(=O)C1 1722362305 SRHMERWXYLJUKE-FQEVSTJZSA-N 483.594 2.282 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Br)n1C[C@@H](C)OC)[C@H]1CCS(=O)(=O)C1 1722364428 ZSVPHSNOVWCKBV-CABCVRRESA-N 467.389 2.369 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCN(C)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1722366793 KOZBCDICAAEOHQ-DHIUTWEWSA-N 485.654 2.321 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCCCN2C[C@@H](C)C[C@H](C)C2)CC1 1722440315 CIMASVNCAWIMHN-VXKWHMMOSA-N 497.688 2.238 30 10 JEEE C#CCN1CCN(c2nnc(CSc3ccccc3OC)n2CCN2CCOC[C@H]2C)CC1 1722440549 BAIYHKWFXBWESI-HXUWFJFHSA-N 470.643 2.055 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC2(O)CCCC2)CC1 1722443717 MNVTXWQFMWRWJB-UHFFFAOYSA-N 475.391 2.307 30 10 JEEE C#CCSCCn1c(Cc2ccccc2C)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1722460259 DNXIEKIJMTUPET-DEOSSOPVSA-N 466.611 2.358 30 10 JEEE C#CCSCCn1c(N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)nnc1[C@@]1(OCC)CCOC1 1722464436 GEMDUKGGJXCVSX-WZONZLPQSA-N 495.646 2.027 30 10 JEEE C=CCCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1722613654 LOASFKHLGLKBSH-WOJBJXKFSA-N 454.623 2.271 30 10 JEEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)Cc1ccccc1O 1722689562 VMHILFYMFFVQQA-UHFFFAOYSA-N 483.598 2.191 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N(C)Cc1ccccc1N1CCOCC1 1722696694 COSZNNGYUJFKID-UHFFFAOYSA-N 461.570 2.424 30 10 JEEE CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCN(C(C)=O)C1)[C@H]1CCS(=O)(=O)C1 1728293031 DUHUKWKNRTZUNU-CTNGQTDRSA-N 470.599 2.089 30 10 JEEE C[S@](=O)C1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(S(C)(=O)=O)CC2)CCC1 1731021757 GLZPWXVWLKWTQI-YTTGMZPUSA-N 491.639 2.043 30 10 JEEE C#CCCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCN(C(C)=O)CC1 1740577277 YEWJZJSMCDHXIN-UHFFFAOYSA-N 463.630 2.115 30 10 JEEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCN(Cc2noc(C)n2)CC1 1740580154 YIQDZBQWBHJQBF-FPOVZHCZSA-N 457.579 2.209 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCc1cccnc1)[C@H]1CCS(=O)(=O)C1 1740619727 QYUDBEMTINCXJB-FQEVSTJZSA-N 451.552 2.218 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(OC)ccc2Br)n1C[C@@]1(C)CN(C)C1=O 1740680705 LXIJYCKDLAQSDC-OAQYLSRUSA-N 476.375 2.281 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2CCN2CCC[C@@H]2C)CC1 1740703380 QIWUXYSXOCFDPG-IBGZPJMESA-N 450.587 2.404 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@H](C)Oc2ccccc2F)CC1 1740704179 JMFUBSHSPZUBPW-KRWDZBQOSA-N 463.517 2.308 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2C[C@H]2CC=CCO2)CC1 1740707504 FGJDQOILQDQKQL-LJQANCHMSA-N 453.518 2.307 30 10 JEEE C=C(Br)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1740744419 ATBMJUIIDLFTCT-RHSMWYFYSA-N 498.403 2.217 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(CC(=O)N(C)C)CC1 1740754913 HNCOMMMKNVDXIH-CYFREDJKSA-N 498.628 2.154 30 10 JEEE C=CCCCCCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1CCS(=O)(=O)CC1 1740857312 KLNLFLTVLBVGKE-GOSISDBHSA-N 458.650 2.188 30 10 JEEE C=CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1740944129 VHPVGDDUQYCUFD-JTSKRJEESA-N 454.575 2.137 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC2(NC(=O)OC(C)(C)C)COC2)C1 1740972337 HBOWVWJASHGNDN-HOYKHHGWSA-N 493.605 2.005 30 10 JEEE CCCNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCCN(C(=O)C(C)C)CC1 1745780977 GJYZOVRXHYHDJB-UHFFFAOYSA-N 451.575 2.428 30 10 JEEE CNC(=O)[C@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2C[C@H](C)O[C@@H](C)C2)C1 1748132934 FAGPGXSPRSGLRG-XHNVNVPESA-N 465.602 2.278 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Cl)n1CCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1748810132 SITRKZVROZCTMA-KRWDZBQOSA-N 458.975 2.430 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1ccc(NC(=O)NC(C)C)cc1)[C@H]1CCS(=O)(=O)C1 1748812384 UVDCQFAAJBLYDW-FQEVSTJZSA-N 495.609 2.478 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(OC)c2)n1CCNS(=O)(=O)c1ccc(C)s1 1748830983 CIFGXPXSHLBQLR-UHFFFAOYSA-N 469.592 2.375 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1748888135 OHCPNQSZYFYXHQ-RTBURBONSA-N 454.575 2.339 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CC2(C(N)=O)CCOCC2)CC1 1748978918 TYZMMTCWPORDKI-NRFANRHFSA-N 480.613 2.072 30 10 JEEE C#CCSCCn1c(Cn2ccc3ccccc32)nnc1N1CCN(CC(=O)NC(C)C)CC1 1749044410 QREVOTHPJKRENB-UHFFFAOYSA-N 479.654 2.294 30 10 JEEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(OC[C@H]2CCOC2)CC1 1749103813 DSFAMCYHPUFOHV-HOTGVXAUSA-N 489.436 2.111 30 10 JEEE C=C(C)CN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1cn(C2COC2)nn1 1749142332 XIIOCCZWKHEEFU-UHFFFAOYSA-N 470.965 2.475 30 10 JEEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2ccc(F)cc2)C1 1749268504 BUMRKRAVAZMZQK-ZWKOTPCHSA-N 485.969 2.081 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CCC[C@H](n2cncn2)C1 1749664541 RDUQOMSVSWGSBN-HNNXBMFYSA-N 471.363 2.443 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@]2(CCOC2)C1 1749670872 WAFWXMSMLXRTLA-UUOWRZLLSA-N 474.606 2.312 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccccc3F)n2C[C@H]2CCS(=O)(=O)C2)C1 1749718994 LFYSBHHECNXDMY-IAGOWNOFSA-N 450.536 2.212 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1cccc(C)c1)N1CCOCC1 1760117522 PYIZABQZFKTGEN-ILWGZMRPSA-N 471.627 2.020 30 10 JEEE C#CCCCCn1c(CCOc2ccccc2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1760140936 DSSAAXHCBJOZKH-QFIPXVFZSA-N 464.570 2.470 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1CC1(N(C)C)Cc2ccccc2C1)[C@H]1CCS(=O)(=O)C1 1760186874 RTJPZGFUHGWBJK-QFIPXVFZSA-N 469.655 2.203 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCCN(C)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1760187607 KKGXQSDFFIHHGC-RBBKRZOGSA-N 477.675 2.453 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCCOC2)n1CCC(=O)N1CCOCC1 1760242215 WLOHJJJEYCRYEI-HXUWFJFHSA-N 455.534 2.200 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(NC(=O)C2CCCC2)c1 1760248277 GYQYVHLLAKWXHK-NRFANRHFSA-N 464.570 2.492 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2C[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 1760261802 CPTUYIBKHNNHLS-NRFANRHFSA-N 465.602 2.419 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCn2ccnc2C)CC1 1760266488 AFTXSRDTMQHUHG-UHFFFAOYSA-N 477.569 2.133 30 10 JEEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(Cc2cc(C)on2)CC1 1760283988 DHVUGIYOXOVISF-UHFFFAOYSA-N 454.604 2.125 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(F)cc2Br)n1C[C@]1(O)CCS(=O)(=O)C1 1760292063 NYHUOUSIRWXHDO-WOJBJXKFSA-N 497.390 2.388 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCC2(CC1)CNC(=O)C2 1760313129 JVKOBPLPDCLWFW-XLIONFOSSA-N 458.607 2.284 30 10 JEEE C=C(C)COCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCOCC1 1760358058 QWIUPAQITPEAAK-SFHVURJKSA-N 451.568 2.406 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCN(c2nc(C)cs2)CC1 1760527597 BPUFPNIELFRKPW-UHFFFAOYSA-N 483.598 2.259 30 10 JEEE CC(=O)N1CCN([C@@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCOCC(F)F)C[C@@H]2C)CC1 1760621456 HJLFKJMJJDXWOP-LAUBAEHRSA-N 487.555 2.087 30 10 JEEE CC(=O)NC1CCC(N(C)c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCO[C@H]2C)CC1 1760633499 HCLURTWQLMYDLX-KIZZRDFTSA-N 452.559 2.240 30 10 JEEE CN(C)CCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1862741822 BHBQJQPECBFOKJ-FQEVSTJZSA-N 498.448 2.414 30 10 JEEE CC(C)(C)OC(=O)N(CCC(=O)N[C@@H](CO)C(=O)Nc1cccc(C#N)c1)Cc1ccccn1 1867081176 TVBQNIFVVBFGEM-FQEVSTJZSA-N 467.526 2.196 30 10 JEEE CC[C@@](C)(NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(=O)N1CCC(C(N)=O)CC1 1868794879 HIBLOVQZJLEGML-WZONZLPQSA-N 459.616 2.034 30 10 JEEE C=CCN(CC=C)c1nc(NC(=O)C2=Cc3ccccc3OC2)n([C@@H]2CCS(=O)(=O)C2)n1 1870004667 HHRUFALENROUCM-GOSISDBHSA-N 455.540 2.231 30 10 JEEE C=CCn1cc(OCC(=O)Nc2ccc(C(=O)OCCC)cc2)c(=O)cc1CN(CC)CCO 1870389540 TZQMRWCVCDKBGQ-UHFFFAOYSA-N 471.554 2.433 30 10 JEEE C=CCOc1cn(CCN2CCOCC2)c(CNc2cc(OC)c(OC)c(OC)c2)cc1=O 1870808935 HSINTLYJAFKMPN-UHFFFAOYSA-N 459.543 2.383 30 10 JEEE CCCNC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1ccc(O)c(OC)c1 1874337599 JJXVVMDLQBXUAI-JKHIYUEESA-N 474.587 2.217 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O 2060127241 GPNPTTSCJLEKFT-ZACQAIPSSA-N 454.568 2.308 30 10 JEEE C[C@H](CNC(=O)C#CC(C)(C)NC(=O)OC(C)(C)C)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 2222518469 CCVAVFVQZPZAOH-WAIKUNEKSA-N 453.580 2.417 30 10 JEEE CC(C)(C)OC(=O)NC[C@H](CO)NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(Cl)c1 2255542448 RQOIVQSSARMFBA-CQSZACIVSA-N 454.760 2.255 30 10 JEEE CCN(CCNC(=O)OC(C)(C)C)C(=O)c1nn(C)c(Cl)c1B1OC(C)(C)C(C)(C)O1 2255653733 NIMJQRRPQCCQOJ-UHFFFAOYSA-N 456.780 2.360 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2C(CNS(=O)(=O)c3cc(B4OC(C)(C)C(C)(C)O4)cs3)[C@H]2C1 2267367937 AZNYVDDRRKXOJV-HZPDHXFCSA-N 484.449 2.439 30 10 JEEE Cc1nc(S(=O)(=O)N2CC[C@@H](OCc3ccccc3)C2)c(B2OC(C)(C)C(C)(C)O2)n1C 2267466520 BWZZJNHCEZRXBI-GOSISDBHSA-N 461.393 2.008 30 10 JEEE CC[C@@](C)(CNC(=O)OC(C)(C)C)N(C)C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2267503244 AJUVAOPCHQIMMG-QFIPXVFZSA-N 450.389 2.485 30 10 JEEE Cc1nn(C)c(C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C(C)C)c1B1OC(C)(C)C(C)(C)O1 2267521248 OOSCEOVEEXWRFC-HNNXBMFYSA-N 450.389 2.307 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](CNC(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)CO1 2267558936 JCQXFWNEFQWLBD-GJZGRUSLSA-N 450.341 2.238 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](NS(=O)(=O)Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2267706206 SUULZZNZNNWMGM-SFHVURJKSA-N 466.409 2.415 30 10 JEEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)[C@H](C#N)C1 2267721599 QQPPUTCBHPGJMT-CQSZACIVSA-N 483.421 2.181 30 10 JEEE COC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(OC)cc1B1OC(C)(C)C(C)(C)O1 2268611777 AREZPPFTEKRGNT-QGZVFWFLSA-N 450.341 2.473 30 10 JEEE Cn1cc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C23CCC3)c(B2OC(C)(C)C(C)(C)O2)n1 2281962613 BFFVVFZRASNNTP-MRXNPFEDSA-N 460.384 2.381 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H](NC(=O)OC(C)(C)C)C2(CC2)C1 2281970846 SOQJCMHYXOAGJH-INIZCTEOSA-N 460.384 2.332 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2CN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)C[C@@H]2C1 2281985364 JFRTVVNROICTHB-HRCADAONSA-N 460.384 2.474 30 10 JEEE CC(C)[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282044612 UZQJFKNEJJEFDO-QGZVFWFLSA-N 462.400 2.437 30 10 JEEE CC(C)(C)OC(=O)N1[C@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)C[C@H]2OCC[C@H]21 2282057921 NBBTVAJGDHOIAZ-NUEKZKHPSA-N 479.408 2.339 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2CN(C(=O)c3ncncc3B3OC(C)(C)C(C)(C)O3)C[C@@H]21 2282187372 IGZHRFAWBCLENL-HLLBOEOZSA-N 458.368 2.151 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)C2 2282188478 WNTDSHAYLKFWNV-XHSDSOJGSA-N 458.368 2.294 30 10 JEEE CC1(C)OB(c2cncc(S(=O)(=O)NC3[C@H]4C[C@H]3CN(Cc3ccccc3)C4)c2)OC1(C)C 2282348077 HCIJOPSPKIEWHH-OALUTQOASA-N 469.416 2.180 30 10 JEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1cc(F)ccc1B1OC(C)(C)C(C)(C)O1 2282402280 CYZOMIHMWCDLHQ-QZTJIDSGSA-N 464.343 2.489 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)C(C)(C)C1 2282486863 UXGBWZQUQHLFFM-HNNXBMFYSA-N 462.400 2.485 30 10 JEEE C=C(CS(=O)(=O)Nc1n[nH]c([C@H]2CCN(C(=O)OC(C)(C)C)C2)n1)B1OC(C)(C)C(C)(C)O1 2282494817 CUKHQDRZRBOCLH-AWEZNQCLSA-N 483.400 2.458 30 10 JEEE CCn1cc(C(=O)N[C@@]23CCN(C(=O)OC(C)(C)C)C[C@H]2C3)nc1B1OC(C)(C)C(C)(C)O1 2282541411 XMMKZNFMKGSDTR-IQMFZBJNSA-N 460.384 2.332 30 10 JEEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@H](F)[C@@H](NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C2 2282585029 ICGPMIAEAGDPBG-QCEMKRCNSA-N 464.347 2.317 30 10 JEEE CC(C)(C)OC(=O)NC[C@@]12CN(C(=O)c3csnc3B3OC(C)(C)C(C)(C)O3)C[C@@H]1CCO2 2282629099 RUPIYVHUMFWCNH-RCDICMHDSA-N 479.408 2.198 30 10 JEEE CC(C)(C)OC(=O)NCC1(O)CCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CC1 2282665864 CZBPHNZJUFFFAW-UHFFFAOYSA-N 460.380 2.478 30 10 JEEE Cc1cc(C(=O)N=c2nc(CNC(=O)OC(C)(C)C)[nH]n2C)sc1B1OC(C)(C)C(C)(C)O1 2282698045 YOVGVVZYIMPKBE-UHFFFAOYSA-N 477.396 2.183 30 10 JEEE CN1C[C@H](NC(=O)OC(C)(C)C)[C@H](Oc2ccc([N+](=O)[O-])c(B3OC(C)(C)C(C)(C)O3)c2)C1 2283002414 WDPBBVGGFWPSIM-FUHWJXTLSA-N 463.340 2.480 30 10 JEEE Cc1cc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2289475331 MECQMOHKTMWOBC-MJGOQNOKSA-N 460.380 2.281 30 10 JEEE CC1(C)OB(c2ccsc2S(=O)(=O)N[C@H](CCO)COCc2ccccc2)OC1(C)C 2320501964 GMWGJWXLJSQNOD-QGZVFWFLSA-N 467.418 2.293 30 10 JEEE CC(=O)NCc1nnc(SCC(=O)Nc2nccs2)n1N=Cc1cn(C)c2ccccc12 2330749807 JTHXEIBJHDEGAF-UHFFFAOYSA-N 468.568 2.475 30 10 JEEE COC[C@@](CCCNC(=O)OC(C)(C)C)(C(=O)O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 2346917893 PYWDHRRDQLXZAN-YKSBVNFPSA-N 460.575 2.471 30 10 JEEE Cn1nc(C(=O)N2[C@H]3CC[C@@H]2C[C@H]3CNC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2359266185 JCGZYPVPRGNFMB-UXLLHSPISA-N 460.384 2.237 30 10 JEEE COc1nc(OC[C@@H]2CCS(=O)(=O)N2C(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2365376455 VJOIIPDKTCATAZ-AWEZNQCLSA-N 484.380 2.107 30 10 JEEE CC(C)(C)OC(=O)N1CC(C(=O)Nc2ccc(Br)cc2C#N)(S(C)(=O)=O)C1 2379881571 GKWGHRJNMQGYIH-UHFFFAOYSA-N 458.334 2.293 30 10 JEEE CCc1nc(C#N)cc(-n2cnc(I)c2I)n1 308268182 CCARJQHLQWZTBK-UHFFFAOYSA-N 451.009 2.306 30 10 JEEE C=CCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](OCc2ccc(OC)cc2)[C@@H]1OCc1ccc(OC)cc1 575449036 IQUHAHWLUCWASF-VAFBSOEGSA-N 460.523 2.455 30 10 JEEE C#CC[C@@H](NC(=O)Nc1cc(I)cc(I)c1)C(=O)O 690407642 HPGKIGKNLAVHHZ-SNVBAGLBSA-N 484.031 2.494 30 10 JEEE C#CCN(C(=O)c1ccc(NS(=O)(=O)c2ccc(OCC)cc2)cc1)[C@@H]1CCS(=O)(=O)C1 729332093 SZPVIJQOCWHYGO-LJQANCHMSA-N 476.576 2.149 30 10 JEEE CC(C)(C)C(=O)NCCCC(=O)[C@H](C#N)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 916948739 HNPZDSQBQYXAQY-IBGZPJMESA-N 476.599 2.451 30 10 JEEE CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)/C(=C(/C)NCCCn3cccn3)C(=O)[C@]12C 1075950883 QYMLDZUTADMLSO-VTUIFRMYSA-N 451.479 2.445 30 10 JEEE C[C@@H](C[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)C(C)(C)O 1077999129 IJRBORPEVKCEQD-COYPMXDUSA-N 494.669 2.100 30 10 JEEE Cc1nnc(NC(=O)CSc2nnc(NN=Cc3c(O)ccc4ccccc34)n2N)s1 1084481304 GJJXLLOXDJJKPK-UHFFFAOYSA-N 455.529 2.187 30 10 JEEE C#CCN(C(=O)C1=CN(C)S(=O)(=O)N=C1C)[C@H]1CCOc2ccc(Br)cc21 1136805162 VJRYBMXOICXWOZ-INIZCTEOSA-N 452.330 2.270 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccc(C)n3)n2CCN2CCOC[C@H]2C)c1 1286308669 BWBNWHAEWYBACJ-HXUWFJFHSA-N 473.581 2.425 30 10 JEEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N1CCCN(Cc2nc([C@H](C)OC)no2)CC1 1286350281 YICKGTILBPCJJL-RBUKOAKNSA-N 457.579 2.388 30 10 JEEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1C[C@@H](CC(C)C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1286390643 DBCRKGLGYGFOMC-FGZHOGPDSA-N 497.669 2.120 30 10 JEEE C#CCN(c1nnc(CCOc2ccccc2)n1CC[S@](=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1286391046 GACKCPGRKZGFQE-GTJUCTONSA-N 492.667 2.074 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCNc1ncc(Cl)cc1Cl)[C@@H]1CCS(=O)(=O)C1 1286391339 DWNGHELYCCGPCM-GDBMZVCRSA-N 499.424 2.223 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1CCCOC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1286394529 VZQZTOIJFYPGNK-IBGZPJMESA-N 478.640 2.143 30 10 JEEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccccc1CN1CCC[C@@H]1CO 1286435816 KCEFQQJVUFZAJV-JOCHJYFZSA-N 473.581 2.390 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)Oc1ccc(OC)cc1 1286516031 BFRJEIRHLISFCV-PNLZDCPESA-N 461.588 2.357 30 10 JEEE C=C(Br)Cn1c([C@H]2CCOC2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1286541159 HPPSPARWPSGHNL-ZDUSSCGKSA-N 468.381 2.397 30 10 JEEE C=CCC(C)(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@@H](CNC(C)=O)C1 1286670778 NSCNTHFXXQIZHR-SFHVURJKSA-N 479.585 2.136 30 10 JEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1CCN(Cc2ccccc2)C1 1286699649 GKLNHSRZOLFFJM-FGZHOGPDSA-N 488.658 2.288 30 10 JEEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2c(C)cccc2C1 1286712121 SHVXHIJIEANFQR-NRFANRHFSA-N 475.615 2.075 30 10 JEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCN1CCOC(C)(C)C1 1286776173 GZMXLAPIUJGZDR-SFHVURJKSA-N 464.611 2.320 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCCN(c2nccc(OCC)n2)CC1 1286784339 FFTOCZHOGSXBSQ-UHFFFAOYSA-N 487.568 2.024 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(C(=O)OCc2ccccc2)CC1 1286790793 XANRTUDTOBVZNX-UHFFFAOYSA-N 475.553 2.025 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(C2CCCC2)CC1 1286791821 DNCPVQFPXFNJDP-UHFFFAOYSA-N 463.586 2.486 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccn3)n2CCc2ccc(S(N)(=O)=O)cc2)C1 1286803241 CESNHBNGSIZFNP-GOSISDBHSA-N 454.556 2.012 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1CCc2sccc2C1 1286814182 MOIWBLDGPXFISZ-UHFFFAOYSA-N 451.618 2.422 30 10 JEEE COc1ccccc1[C@@H](CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)N1CCCC1 1290020949 DNCDHWXKJLZYQP-LAUBAEHRSA-N 456.568 2.187 30 10 JEEE C#CCN(C)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1300430142 IANBAJYJNJKGRA-ROUUACIJSA-N 461.588 2.168 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CC[C@]2(CCOC2)O1 1300554032 XWNZDIHASRLPKA-PBQROFAYSA-N 469.586 2.460 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)Oc2ccc(Cl)cc2)CC1 1300681671 YGIRGVHTRGHNIP-SFHVURJKSA-N 456.978 2.390 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 1300763739 ROMYKXZDFMZGJX-IAGOWNOFSA-N 483.660 2.040 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Oc1ccccc1 1300916586 ZBQZHAGQDHAVEJ-UYAOXDASSA-N 463.604 2.481 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1nccnc1C 1301410601 HWQNRMZHQKLYHN-SFHVURJKSA-N 456.572 2.349 30 10 JEEE C=CCN(CCOC)c1nnc(-c2cccnc2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1301420567 FWRIOQWSIJXLSD-PMACEKPBSA-N 460.604 2.183 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1301483868 XGWKTZQLFUQOSS-UONOGXRCSA-N 450.385 2.257 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1301588923 LYCJVJHGYYZBKK-DLBZAZTESA-N 467.617 2.463 30 10 JEEE CC(C)CNS(=O)(=O)c1ccc(CNC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1 1312412836 CBQFNSWWIFNOKX-LJQANCHMSA-N 457.556 2.250 30 10 JEEE CS[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1316385772 CHOKFKYMTLPOTN-XLIONFOSSA-N 470.599 2.308 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2cccc(Cl)c2)C1 1358930608 YTUIDOYAEPWTBG-VQTJNVASSA-N 494.017 2.256 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1C[C@H](c1ccccc1)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1358955551 ODFXXPUKNVOPJQ-FCHUYYIVSA-N 485.654 2.276 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2C[C@H](CC)NC(=O)OC(C)(C)C)CC1 1359037799 XSAVSYSCXDUORH-FQEVSTJZSA-N 453.591 2.322 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCC(=O)NC(C)C)CC1 1359042143 UFCWELDSOVYQRD-UHFFFAOYSA-N 488.539 2.427 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@@]2(O)CCSC2)CC1 1359042679 PLGFZJDYDYUDPF-VWLOTQADSA-N 499.637 2.186 30 10 JEEE C=C(C)Cn1c(-c2cccc(C)n2)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1359120523 FIADFOLQWWWXJX-QRQLOZEOSA-N 488.614 2.351 30 10 JEEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](N2CCCC2=O)C1 1359122491 XOQLTEDGQUDDEW-MSOLQXFVSA-N 460.579 2.364 30 10 JEEE C=C(C)COCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN2CCOC[C@@H]2C1 1359127912 DPQZOSIFHTWFFY-IBGZPJMESA-N 473.574 2.084 30 10 JEEE C=C(C)COCCn1c(CCOc2ccccc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1359136052 XWVDZMRLGBNHDB-UHFFFAOYSA-N 484.601 2.067 30 10 JEEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCC(N2CCCCC2=O)CC1 1359303330 KIIHDILZIMULDH-UHFFFAOYSA-N 466.586 2.183 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCN(C(=O)c2ccco2)CC1 1359333912 NVAOKYBTMBHDOH-UHFFFAOYSA-N 475.596 2.087 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCNC(=O)C1 1359556960 AIISTHUASYTYLI-SFHVURJKSA-N 451.531 2.152 30 10 JEEE CC(C)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCCS2(=O)=O)CC1=O 1360017015 ALHHDGCBVXVVHG-FQEVSTJZSA-N 470.599 2.089 30 10 JEEE C#CCn1ccc(CN(CC)C(=O)CNC(=O)Cn2ccc3ccc(Br)cc32)n1 1459759274 UMXCLCZUVYJXAQ-UHFFFAOYSA-N 456.344 2.398 30 10 JEEE C#CCN(CC(=O)N1CC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1)C(=O)OC(C)(C)C 1467879504 KSEZVTHUNMOZOE-SFHVURJKSA-N 450.580 2.010 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCCNS(=O)(=O)CC 1507531459 FKENOQLLJWPHAJ-KRWDZBQOSA-N 482.651 2.180 30 10 JEEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@H](NC(=O)CC)C1 1507583817 WORFUKWFCFTCCV-KRWDZBQOSA-N 457.604 2.147 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCn1cc([C@H]2CCOC2)cn1 1507680540 IPLABSCRIOZUAT-FQEVSTJZSA-N 497.625 2.056 30 10 JEEE C#CCSCCn1c(-c2ccccc2C)nnc1N1CCN(Cc2nc(COC)no2)CC1 1507748874 SIYJTOZOAYISJO-UHFFFAOYSA-N 467.599 2.472 30 10 JEEE C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1507870167 FAWCIWMQVYTEDO-IYBDPMFKSA-N 450.971 2.456 30 10 JEEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1507934585 GVKRCCGCUWCNNB-QZTJIDSGSA-N 496.659 2.310 30 10 JEEE C=CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1507937307 SIUJIAAWJBGFHK-UHFFFAOYSA-N 485.976 2.348 30 10 JEEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1507941023 AENLTAVNGPMYHA-JOCHJYFZSA-N 474.587 2.193 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(F)cc2Br)nnc1N(C)CC(=O)NC(C)C 1508073673 LOTWHHRRHMCCEY-UHFFFAOYSA-N 467.343 2.110 30 10 JEEE CC(C)(C)NC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C2CCOCC2)CC1 1508622579 GQHNQKJKVGEWRJ-UHFFFAOYSA-N 495.628 2.335 30 10 JEEE CCC[C@](C)(O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(C#N)CC1 1514253971 FWPQSHGBDGXGMB-QFIPXVFZSA-N 460.604 2.486 30 10 JEEE CCCn1nc(-c2nnc(N(C)[C@H](C)CC#N)n2C[C@H]2COCCO2)c2ccccc2c1=O 1514983108 BGYUCSHQKOPEPX-SJORKVTESA-N 451.531 2.219 30 10 JEEE CC(C)(C)OC(=O)N1CCN(CC(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C(=O)C1 1526856115 CLOWQEHZXQGQRM-UHFFFAOYSA-N 458.906 2.415 30 10 JEEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1539028880 DQVBIQWFLLEMLX-CZTZKLFOSA-N 482.610 2.391 30 10 JEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1539133252 WPWGNSFTQFYMLQ-UHFFFAOYSA-N 457.604 2.267 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1Cc1ncccc1C)[C@@H]1CCS(=O)(=O)C1 1539210895 HRKSENYSPDPFGU-GOSISDBHSA-N 451.552 2.332 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCCOC1CCCC1)[C@@H]1CCS(=O)(=O)C1 1539220538 KJVHSPRGPMZABJ-UYAOXDASSA-N 450.605 2.496 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@@H]1CCC[C@H](O)C1)[C@H]1CCS(=O)(=O)C1 1539226273 WQNLUHZRBRNTBO-GIVPXCGWSA-N 472.611 2.055 30 10 JEEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cc2c(cc1OC(F)F)OCO2 1539237493 FMKZKJGDVWIYHH-HSZRJFAPSA-N 474.464 2.381 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCNS(=O)(=O)Cc1ccon1 1539245915 GBHXLKOPQXUGEL-UHFFFAOYSA-N 480.594 2.423 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCc2ccccc2F)CC1 1539469074 NPZYBWMPZWLKPI-VWLOTQADSA-N 469.561 2.278 30 10 JEEE C#CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(CCC(N)=O)CC1 1539517711 RHNSNSSBZURJSP-UHFFFAOYSA-N 482.658 2.300 30 10 JEEE C=C(C)COCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC(CO)CC1 1539744618 RNZUXAMYOSIFSC-UHFFFAOYSA-N 452.559 2.476 30 10 JEEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1539758648 QFQZZYUJBCVOHF-DLBZAZTESA-N 458.588 2.110 30 10 JEEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1540858077 GHKMRJQKMNFDBA-QZTJIDSGSA-N 459.551 2.084 30 10 JEEE CCN(CC)C(=O)CN1CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2snnc2C)CC1 1547413427 BNMAAYJWCGRATB-UHFFFAOYSA-N 493.641 2.406 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCN(C)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1588049820 LOPAGBXDWPMMLS-JOCHJYFZSA-N 478.622 2.407 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC2(C(=O)N(C)C)CCCC2)CC1 1588791498 WZEWKPVKNWCXNK-UHFFFAOYSA-N 480.613 2.366 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(OC)c(OCC)c2)CC1 1588864242 AXOCYMWZYDYQSK-UHFFFAOYSA-N 494.621 2.480 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)ccc3C)n2Cc2ccn(C)n2)CC1 1588961483 AKIWQTWKTFKBED-UHFFFAOYSA-N 461.570 2.222 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1CCN1CCOC(C)(C)C1 1589242838 LROLHARIOKTEMT-HSZRJFAPSA-N 456.616 2.373 30 10 JEEE C=C(Br)Cn1c(N(C)CCCS(C)(=O)=O)nnc1[C@]1(OC(C)C)CCOC1 1589459937 HMYRTJPDJCKWDY-KRWDZBQOSA-N 465.414 2.098 30 10 JEEE C=C(Cl)Cn1c(C(C)C)nnc1N1C[C@@H]2[C@@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1593808079 OAFKIVKRTCNNMI-ILXRZTDVSA-N 460.000 2.281 30 10 JEEE C=CC1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1594218708 PQSONGPLZQPNPC-HSZRJFAPSA-N 476.599 2.304 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(Cc2csc(C)n2)CC1 1595593439 DLFSANWVSWLWGS-UHFFFAOYSA-N 485.589 2.386 30 10 JEEE C=C[C@@H]1OCC[C@H]1CNC(=O)c1cc(S(=O)(=O)NC[C@@H]2CCCO2)ccc1Br 1630442386 TXDOSBSVGYSUOV-DEYYWGMASA-N 473.389 2.227 30 10 JEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)OC(C)(C)C 1639593011 ABABFUQXNKXCHY-JXFKEZNVSA-N 457.552 2.294 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(CN2CCC(O)CC2)cc1 1649538962 ISEJYCKFEKHNNS-RXFWQSSRSA-N 467.614 2.393 30 10 JEEE N#Cc1c(Cl)cccc1S(=O)(=O)NCCC(=O)N1CCN(c2ccc(F)cc2)CC1 1660819958 AAIOIKDOSCLUIG-UHFFFAOYSA-N 450.923 2.368 30 10 JEEE C=CC[C@H](NC(=O)N1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1)c1ccncc1 1669193535 YEMQQPDGQLXMES-FQEVSTJZSA-N 457.556 2.407 30 10 JEEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CCOC)[C@H](C)C1 1689932064 PYWYNNSVEIUMES-WOJBJXKFSA-N 476.622 2.157 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1cccc(CN(C)CC)c1)[C@@H]1CCS(=O)(=O)C1 1689991279 ZCUVNKHNRZKCBD-XZOQPEGZSA-N 485.654 2.299 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCN(C)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1689998380 KTXDDQSULVOOBO-ZWKOTPCHSA-N 481.619 2.013 30 10 JEEE C#CCN(CC)c1nnc(-c2cc(F)ccc2Br)n1CCN1CCCS1(=O)=O 1690062466 PURQZYHTBPTSJO-UHFFFAOYSA-N 470.368 2.342 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc(Cl)cc3)n2C[C@@]2(O)CCOC2)n1 1690109071 FQDBVJWSKLUGHT-QHCPKHFHSA-N 470.961 2.233 30 10 JEEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2ccccc2CC1 1690219606 HWBGQHQXEPGYQC-AWEZNQCLSA-N 454.394 2.402 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(C)cc2)nnc1N(C)CC(=O)N1CCOCC1 1690252137 AGSRAKOCGGRDBF-GBXCKJPGSA-N 469.586 2.442 30 10 JEEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 1690275184 XTALVFHZBXYLDH-YOEHRIQHSA-N 465.555 2.004 30 10 JEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 1690299062 CWIMMRJRCFDEIE-KRWDZBQOSA-N 459.551 2.191 30 10 JEEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1690449750 PPZGNKMFKNQIHE-OAQYLSRUSA-N 465.602 2.219 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC[C@@H](CNC(C)=O)C1 1690661641 CAXOHNQYZAPDFI-IBGZPJMESA-N 461.570 2.456 30 10 JEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 1690674167 RCQPQAHXFQPIBY-GOSISDBHSA-N 498.588 2.476 30 10 JEEE C[C@H](CC#N)N(C)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@H]1CCN(S(C)(=O)=O)C1 1692660087 BSYNTKDMRKQSKN-SJORKVTESA-N 455.588 2.370 30 10 JEEE CCCC(=O)Nc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@H](C#N)C2)cc1 1695001210 HYZPORLLTDSXQZ-LJQANCHMSA-N 451.531 2.030 30 10 JEEE CNC(=O)[C@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(COC)CCOCC2)C1 1696918696 FOWXPINQSIOZGK-HSZRJFAPSA-N 452.559 2.222 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](CC)N2CCCC2)c1 1705505564 QIRGRVPEJIRGGS-RTWAWAEBSA-N 463.586 2.160 30 10 JEEE C#CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC(=O)N(C)C[C@@H]1C 1705516630 GJQUELBIOAGDTE-ROUUACIJSA-N 460.579 2.057 30 10 JEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(OC[C@@H]2CCCCO2)CC1 1705532617 PFRCFFMHAAYWIY-QUCCMNQESA-N 450.605 2.148 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1C[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1705559510 BSPPXAYEMWLYPH-UFYCRDLUSA-N 488.610 2.480 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCC(=O)NC1CCCCC1)[C@H]1CCS(=O)(=O)C1 1705563511 YWIPJRKEEZCNEG-NRFANRHFSA-N 499.637 2.419 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CCCN1CCCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1705571063 WKODRMLJNJQKNS-IFMALSPDSA-N 470.643 2.155 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCS(C)(=O)=O 1705603313 NCGGLOPKYBGWQK-SFHVURJKSA-N 463.604 2.248 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2cc(C)on2)CC1 1705694784 TTXGBGKETTWIIR-ICSRJNTNSA-N 457.579 2.016 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1705735436 QPOVWGSFBXOIRX-LJQANCHMSA-N 457.579 2.198 30 10 JEEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2ncccc2C#N)CC1 1705741635 VEDIJYAYLPLFSB-SFTDATJTSA-N 467.574 2.188 30 10 JEEE C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)Cc2cccc(OC)c2)CC1 1705757883 BGSIERVWQRRUAQ-UHFFFAOYSA-N 472.977 2.053 30 10 JEEE C=CC1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1705784524 ZCFTWCBEPTWRGH-KRWDZBQOSA-N 463.629 2.497 30 10 JEEE C=CCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1705825862 FVGFLVFDWLKUHD-HXUWFJFHSA-N 463.542 2.176 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(=O)N(C)C 1705859900 IJHQAIYRYWDIJR-UHFFFAOYSA-N 492.609 2.391 30 10 JEEE C=CCNC(=O)Cn1c(N2C[C@H]3CC[C@@H](OC)[C@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705909247 RFFPBBYMUOOVAO-ZSXDVEMLSA-N 474.606 2.212 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1705935625 XICOFEHXXLSTNW-IRXDYDNUSA-N 466.947 2.237 30 10 JEEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(OCCN2CCCC2)cc1 1706748132 GAWYKUACBKAXIH-WIYYLYMNSA-N 451.575 2.490 30 10 JEEE CC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(CC)CC)CC1)OC 1708776827 IEMSQPMGZBOTOM-OAQYLSRUSA-N 453.591 2.232 30 10 JEEE C#CCCCn1c(-c2cccnc2)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1722331762 SMAVCEHFRFGTPF-UHFFFAOYSA-N 454.531 2.404 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1-n1nc(C)cc1C 1722384346 UYUSDRTXKIVFTL-OAQYLSRUSA-N 462.579 2.104 30 10 JEEE C#CCN1CCN(c2nnc(CSc3ccc(C)cc3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1722442176 UKVKEPJLBVPNDM-VHXPQNKSSA-N 491.621 2.160 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CC[C@@H](OC)C(F)(F)F)CC1 1722449463 SMHXAISOSQURTN-GOSISDBHSA-N 464.492 2.197 30 10 JEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2c(ncn2-c2ccc(C)cc2)C1 1722451783 OIQQRSIUUGXACH-GOSISDBHSA-N 499.666 2.312 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(C)cc2)nnc1N1CCN(CC(=O)NCC)CC1 1722503384 KUWASFNCHAQJQD-SQJMNOBHSA-N 482.629 2.405 30 10 JEEE C=CCN(c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(=O)N1CCOCC1)C1CC1 1722649550 TULCTJFHLFXTMZ-GOSISDBHSA-N 474.606 2.406 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CC[C@@H](OCCOC)C1 1722688733 KBQJMMHIWSXBMN-QGZVFWFLSA-N 464.364 2.252 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N1C[C@H](C)O[C@H](COC)C1 1722693506 QBGWRCBBCOKDEY-ZFWWWQNUSA-N 482.354 2.389 30 10 JEEE C=CCOc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)CC2CCC2)cc1 1722705020 RYVVFPLLEWYTPB-OAQYLSRUSA-N 475.615 2.460 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(F)(F)CNC(=O)OC(C)(C)C)C1 1722714406 MTMZHZXWMLCJIF-HUUCEWRRSA-N 470.521 2.171 30 10 JEEE Cc1nc(C)n(C[C@H]2CCCN(c3nnc(-c4ccc(C#N)cc4)n3CCC(=O)N(C)C)C2)n1 1726171932 HAERAOBUBHXDSL-FQEVSTJZSA-N 461.574 2.420 30 10 JEEE COCCn1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@H](COC(C)C)C2)cn1 1730774202 GSVASQPWELFFHM-QFIPXVFZSA-N 465.558 2.338 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2C[C@H]2CCOC[C@H]2OC)c1 1740564811 YIVLWGSJYXGQQZ-FYYLOGMGSA-N 474.565 2.372 30 10 JEEE C#CCCCCn1c(CC2CCCC2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1740577029 PKBNDEGIOZCQFT-NRFANRHFSA-N 463.648 2.445 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(OCC)c2OC(F)F)CC1 1740688812 KEZNNNNQJQBIIL-UHFFFAOYSA-N 488.539 2.318 30 10 JEEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2cccc(OC(F)F)c2)C1 1740942906 RHANSHQHUOCIPO-CJNGLKHVSA-N 457.503 2.254 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCCN(CCC)C(=O)C1 1740951950 QRHFFMORSQXPFM-QGZVFWFLSA-N 458.538 2.308 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1cccc(C(N)=O)c1 1740953552 JPGPOOJXZITUES-UHFFFAOYSA-N 472.347 2.073 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CCN(c2cccnn2)CC1 1740965977 USFKPGHLQLWNNU-UHFFFAOYSA-N 464.599 2.298 30 10 JEEE C=CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1741003270 QKLXMFIMNAOREZ-APWZRJJASA-N 479.628 2.228 30 10 JEEE CC(=O)N1CCN(c2nnc(-c3cccc(Cl)c3)n2CCN/C(O)=C2\N=CC=CC2=O)[C@@H](C)C1 1741044073 YHUHQWLTHKMWHZ-OOHXQLJPSA-N 483.960 2.182 30 10 JEEE CC(=O)Nc1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)cn1 1741062644 BXVPWKIJQVGQFY-HZPDHXFCSA-N 481.582 2.476 30 10 JEEE CCCNC(=O)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCO[C@H](C#N)C1 1745792921 CAWMODIGQUPBHR-CYBMUJFWSA-N 451.300 2.102 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CC(F)(F)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1748804718 KGBGDMBKUORKDJ-KNQAVFIVSA-N 494.564 2.349 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H](C)CN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1748811824 LYDPEJJFJBTHBB-PMACEKPBSA-N 456.616 2.089 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@H](c1ccco1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1748815989 VGBRUVPLDXNRLH-QUCCMNQESA-N 468.583 2.171 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@]2(N(C)C)CCC[C@@H](C)C2)CC1 1748972346 GOHZZOGCGXIVKD-NLFFAJNJSA-N 464.618 2.191 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H](C)Oc2ccccc2)CC1 1749003186 AQWKYNBJLWEMGM-FNZWTVRRSA-N 481.597 2.364 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC(=O)NCC(F)(F)F)CC1 1749006536 QVLAUSIJWRPEPB-UHFFFAOYSA-N 482.894 2.243 30 10 JEEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1749039770 ASOMNCRKHOSDQQ-JOCHJYFZSA-N 453.660 2.235 30 10 JEEE C=C(C)COCCn1c(-c2cc(Br)cn2C)nnc1N1CCC(NC(=O)COC)CC1 1749214127 UYZLKGAZRWLIDC-UHFFFAOYSA-N 495.422 2.370 30 10 JEEE C=C(C)COCCn1c(Cc2ccsc2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1749232634 RHJLBEOOMPBIHP-KRWDZBQOSA-N 456.576 2.055 30 10 JEEE C=C(C)COCCn1c(COc2ccccc2F)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1749238720 BHWSLIXAIDMEAH-OAQYLSRUSA-N 486.548 2.356 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOCC2(CCC2)C1 1749368883 SKOXHUBHCHUZPI-GOSISDBHSA-N 467.636 2.220 30 10 JEEE C=CCCOCCn1c(C2CCC2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1749457847 VOMJWAANEKCKLM-UHFFFAOYSA-N 458.607 2.079 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1749650272 PTQYVSVXODPIIL-VWLOTQADSA-N 482.585 2.224 30 10 JEEE C=CCOc1ccccc1Cn1c(-c2cnccn2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1749690463 RYDSEHRFHBDVAQ-GOSISDBHSA-N 483.598 2.114 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1749740321 UKVLOWZXNOAVSV-VGSWGCGISA-N 497.017 2.496 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H](N1CCOCC1)C(F)(F)F 1760114298 KIPFZDJMFIHICH-YOEHRIQHSA-N 475.475 2.315 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1ccc(C)nc1)[C@H]1CCS(=O)(=O)C1 1760182194 BXRRTYMHFUEWOW-FQEVSTJZSA-N 466.523 2.232 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H](C)c1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1760185320 VGAGOZBFRRPFJM-CRAIPNDOSA-N 454.556 2.375 30 10 JEEE C#CCN(c1nnc(CC2CCCC2)n1Cc1nccn1C(F)F)[C@H]1CCS(=O)(=O)C1 1760190380 PUTVKICVGKZIHT-INIZCTEOSA-N 452.531 2.277 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)Oc1ccc(Cl)cc1 1760249736 RNPKUZDXQSZTIU-IAGOWNOFSA-N 466.991 2.387 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(F)ccc3Br)n2CCCc2cnn(C)n2)CC1 1760254857 NGNWXONIIBCWAE-UHFFFAOYSA-N 487.381 2.363 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc(C)c(OC)c2)CC1 1760255885 BLUHMJDNIKDRDH-VWLOTQADSA-N 453.587 2.439 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCCCn2ccnc2C)CC1 1760257222 REQVDCUNTPFQPV-XMMPIXPASA-N 455.607 2.059 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](c2cccnc2)C(C)C)CC1 1760269026 VWWJVSOYEVINHM-QFIPXVFZSA-N 460.586 2.479 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2COc3ccccc3O2)n1CCCN(C)S(=O)(=O)CC 1760294995 KXEZUCVIZQCWHP-NFBKMPQASA-N 473.599 2.454 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](OCCCc2ccccc2)C1 1760346317 RWNSAJPFKFWSPJ-VXKWHMMOSA-N 489.642 2.415 30 10 JEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CN(Cc3ccccc3)CCCO2)CC1 1760382391 PEDMBKYORLEPFT-UNMCSNQZSA-N 488.658 2.336 30 10 JEEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCCN1CCOCC1 1760454239 BPHFWRGNZDGBQO-UHFFFAOYSA-N 461.636 2.281 30 10 JEEE C=CCN(Cc1cccs1)c1nnc(Cc2cccnc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1760486848 BJNSRSWZWPPADF-NRFANRHFSA-N 459.597 2.068 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1760518180 LKRQPBXEJQRRNJ-SFHVURJKSA-N 476.000 2.256 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(Cc3ccsc3)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1760546611 RQSZKQFWEQVXSX-MSOLQXFVSA-N 451.618 2.136 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1760551365 CINHAGGVROHLNG-IBGZPJMESA-N 494.017 2.027 30 10 JEEE Cc1cccc(C(=O)NCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@](C)(C#N)C2)c1 1761891161 DYKUXUZEKDWDJG-AUSIDOKSSA-N 470.599 2.049 30 10 JEEE CCn1cc(CN(C)c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCSC2)cn1 1765319885 HWRZOKOVKKOYGR-JOCHJYFZSA-N 453.572 2.450 30 10 JEEE CN(CC(=O)N1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](c1ccsc1)N(C)C 1768586454 GFNGINOQCYGZKV-NRFANRHFSA-N 479.610 2.476 30 10 JEEE COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CCCNC=O)cc(OC)c1OC 1862635916 VAZRNFOAWYKGSA-NRFANRHFSA-N 498.488 2.156 30 10 JEEE CCOC(=O)c1ccccc1NC(=O)[C@H](CO)NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1 1866865774 AIUUACNTWRXBBP-VQTJNVASSA-N 484.578 2.317 30 10 JEEE CC(=O)NCc1nnc(SCC(=O)N[C@@H](C)c2ccccc2)n1/N=C/c1ccc(O)c([N+](=O)[O-])c1 1874436057 JYUBBBPGYQHWNB-ZFVWIKOCSA-N 497.537 2.380 30 10 JEEE C=CCn1c(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc2c(NCc3ccc(S(N)(=O)=O)cc3)ncnc21 1875229964 JDEAMDFFFSTUMJ-HZPDHXFCSA-N 484.582 2.126 30 10 JEEE CN(C(=O)c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)C1CN(c2nccnc2C#N)C1 1892252855 CIRPVDVFPOISLX-UHFFFAOYSA-N 474.546 2.060 30 10 JEEE O=C(NCCN1CCOCC1)Nc1ccc(C(=O)C=Cc2cccc(N3CCOCC3)n2)cc1 1903857782 SQTSPANZQDCPLB-UHFFFAOYSA-N 465.554 2.268 30 10 JEEE CCOc1cccc(-c2cn([C@@H]3CCCN(C(=O)C[C@@H]4S/C(=N\C)N(C)C4=O)C3)nn2)c1 2087926113 DZWLFILRQUVJHC-RTYSNNKWSA-N 456.572 2.457 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NC[C@H]2C[C@H](NC(=O)OC(C)(C)C)[C@H](O)C2)C1 2255159095 KOGQBTYKARKNEX-MDUOQUAUSA-N 451.564 2.074 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2255702382 FTZCAIVGWUEVQK-KGLIPLIRSA-N 452.382 2.147 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H]1C[C@H]1NC(=O)OC(C)(C)C 2255933871 UYCDMBXISKYKKX-HZPDHXFCSA-N 452.382 2.238 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(CNC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)O)s1 2256626040 FICITOZCQJKFQF-CJNGLKHVSA-N 454.398 2.246 30 10 JEEE CCC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C 2266990030 MJKBJNFVFIKJHI-HNNXBMFYSA-N 450.389 2.451 30 10 JEEE Cc1c(B2OC(C)(C)C(C)(C)O2)csc1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1O 2267108638 IAOKQSTUFUWJFR-CVEARBPZSA-N 466.409 2.456 30 10 JEEE COC1(CCNC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2267162458 BCYWOJNBBMKAKK-UHFFFAOYSA-N 467.397 2.198 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H]1C[C@@H](F)CN(C(=O)OC(C)(C)C)C1 2267217886 NGCFJZWRMHEADN-HZPDHXFCSA-N 451.348 2.402 30 10 JEEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCN(Cc4ccccc4)[C@@H](C#N)C3)s2)OC1(C)C 2267375134 CMDHVUDHGKLTKJ-SFHVURJKSA-N 473.429 2.446 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2C(CNS(=O)(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)s3)[C@H]2C1 2267377317 DGXSXMGGTGRLRY-HUUCEWRRSA-N 484.449 2.439 30 10 JEEE Cc1nn(C)c(C(=O)NCC(C)(C)CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267512061 KSTLHFBDFLHFBT-UHFFFAOYSA-N 450.389 2.308 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@H](NC(=O)C(F)(F)F)[C@H](C)C1 2267527528 IVYAJHJCUYBRJU-PWSUYJOCSA-N 461.315 2.280 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1COCCN1Cc1ccccc1 2267529026 INXCSQHQMQDKNS-SFHVURJKSA-N 457.405 2.382 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@@H](NC(=O)c3sccc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2267594056 PEEGDDKLIYUFTI-BMFZPTHFSA-N 464.393 2.411 30 10 JEEE C[C@@H]1CC[C@@H](NC(=O)C(F)(F)F)CN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2267717335 BIXILNLJUCZDPU-DGCLKSJQSA-N 482.355 2.267 30 10 JEEE C=C(CS(=O)(=O)NC[C@@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1)B1OC(C)(C)C(C)(C)O1 2267719333 FIAZPUUKGYTPRE-INIZCTEOSA-N 472.413 2.262 30 10 JEEE CC(C)[C@@]1(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)CCN(C(=O)OC(C)(C)C)C1 2268637097 JQUKVCDMASWMHR-OAQYLSRUSA-N 466.413 2.481 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)CC[C@@H]1C(=O)NCc1sccc1B1OC(C)(C)C(C)(C)O1 2268786542 QRSCZXCSDGSIJF-GDBMZVCRSA-N 466.409 2.424 30 10 JEEE CC1(C)OB(c2ccnc(N3CCO[C@]4(CCCN(C(=O)C(F)(F)F)C4)C3)c2)OC1(C)C 2280759157 OBIHRWCKARISHU-HXUWFJFHSA-N 455.286 2.141 30 10 JEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CCO[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 2281794935 AZBWHCJMTHFPIN-IAGOWNOFSA-N 462.352 2.348 30 10 JEEE Cc1c(C(=O)N[C@]23CCN(C(=O)OC(C)(C)C)C[C@H]2C3)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281808031 UEIRXDJKNKIJPE-CMJOXMDJSA-N 460.384 2.157 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H]2[C@H]1C(C)(C)[C@@H]2NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2281979129 LPQVUBKEHDYTEB-XYPHTWIQSA-N 460.384 2.473 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 2282005576 QEPWOKSBVONEMY-HOCLYGCPSA-N 462.400 2.403 30 10 JEEE COC1(CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)c(F)c2)CN(C(=O)OC(C)(C)C)C1 2282471796 OOZYRVNPQLDILV-UHFFFAOYSA-N 464.343 2.491 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CC[C@H]2CC[C@H]1N2C(=O)OC(C)(C)C 2282486686 ZQHCAZWFHONXKR-BHYGNILZSA-N 460.384 2.380 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N[C@H]2CCCN(Cc3ccccc3)CC2)n1 2282488005 ABADNPPOMHKTMW-IBGZPJMESA-N 474.436 2.052 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 2282535496 OVGVHADAYJBCSR-OAHLLOKOSA-N 460.384 2.239 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H]2OCCN(C(=O)c3occc3B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2282536292 AITKWOZMFNCIQR-IAGOWNOFSA-N 462.352 2.429 30 10 JEEE CC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C 2282544761 UMOSOMUNLZILPC-INIZCTEOSA-N 462.400 2.499 30 10 JEEE Cc1c(C(=O)N=[S@](C)(=O)C[C@@H](C)NC(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282551595 KSZWYWIHBVKLQD-AADXJYSNSA-N 484.428 2.179 30 10 JEEE Cn1cc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C3(CCC3)C2)nc1B1OC(C)(C)C(C)(C)O1 2282554547 FWVNGHUBQVXALL-OAHLLOKOSA-N 460.384 2.381 30 10 JEEE CO[C@H]1CN(C(=O)c2nc(C)ccc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1NC(=O)OC(C)(C)C 2282555681 XAMYPUZFGHSLHI-IRXDYDNUSA-N 461.368 2.053 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)C[C@@]12CCOC2 2282596101 ADBRHUOWRGQKQJ-JLCFBVMHSA-N 479.408 2.341 30 10 JEEE CC(C)(C)OC(=O)N[C@@]1(CNC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2Cl)CCOC1 2282610304 UWJSOIKRZHEBGI-JOCHJYFZSA-N 481.786 2.448 30 10 JEEE Cn1nc(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C(F)F)cc1B1OC(C)(C)C(C)(C)O1 2282615507 ZHDVCTVPQYYVCZ-SJLPKXTDSA-N 460.334 2.215 30 10 JEEE C[C@@H]1C[C@@H](NC(=O)C(F)(F)F)CCN1S(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2282854098 NHSMZSBCYQQXCK-HIFRSBDPSA-N 476.326 2.206 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CC2(CC2)C1 2283070541 XMGQXQGEQOXDKL-UHFFFAOYSA-N 458.368 2.249 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CC(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)=C[C@H]1O 2284058123 IMWJNMSXKSTJIT-JKSUJKDBSA-N 463.315 2.043 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@@](O)(C(=O)NCc2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2284130987 XHUCTZOWZXMHIC-DEOSSOPVSA-N 460.380 2.364 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(CNC(=O)[C@@H](CCC(N)=O)NC(=O)OC(C)(C)C)s1 2284148692 ULNKKFKUZJMIGJ-OAHLLOKOSA-N 481.424 2.131 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)N(C)CC1(O)CN(C(=O)OC(C)(C)C)C1 2287303957 NMQKRXFTQXHPGC-UHFFFAOYSA-N 460.380 2.348 30 10 JEEE CC1(C)OB(c2cscc2S(=O)(=O)N[C@@H](CCO)COCc2ccccc2)OC1(C)C 2320500886 XQCQAOZLRFZUPW-KRWDZBQOSA-N 467.418 2.293 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCN(c2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)C[C@@H]1CO 2345725209 UTKFXMCBJWLAPD-RHSMWYFYSA-N 451.348 2.232 30 10 JEEE CC(C)(C)OC(=O)NC[C@@]1(O)CCCN(c2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)C1 2345741954 WKFBRDIDWWKVAC-QFIPXVFZSA-N 451.348 2.376 30 10 JEEE COc1ccc([C@@H]2c3c(nc(N4CCC[C@@H](C)C4)[nH]c3=O)NC(=O)[C@@H]2C#N)c(OC)c1OC 72444971 LHNWXQIISATPOI-XPKDYRNWSA-N 453.499 2.256 30 10 JEEE CCCCCCCNC(=O)c1cc2c(=O)n3ccccc3nc2n(CCN2CCOCC2)c1=N 101078924 ZGTZBLVOCZIHDO-UHFFFAOYSA-N 466.586 2.161 30 10 JEEE COc1ccc(C(=O)/N=C2\S[C@H]3CS(=O)(=O)C[C@@H]3N2Cc2ccc3c(c2)OCO3)cc1 102738566 DCZYNIODNOFXNH-ODKNCQNMSA-N 460.533 2.335 30 10 JEEE CO/N=[N+](\[O-])CC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1ccc(N(C)C)cc1 103936631 YTJSMEWCPHXUOM-LXAYZEPESA-N 461.544 2.117 30 10 JEEE CS(=O)(=O)CC[C@@H](NC(=O)c1ccccc1Cl)C(=O)NCc1ccc(C#N)cc1F 609231184 NQKUERXBUNPNIJ-GOSISDBHSA-N 451.907 2.200 30 10 JEEE CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1-c1ccc(C)c(F)c1 609405739 BAGXEAUOYZKOFR-UHFFFAOYSA-N 465.550 2.392 30 10 JEEE N#Cc1ccccc1S(=O)(=O)N1CCN(CC(=O)Nc2cc3c(cc2Cl)OCCCO3)CC1 619674874 JSULRPKRRNKOHW-UHFFFAOYSA-N 490.969 2.318 30 10 JEEE CC#CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC[C@H](O)C(=O)O 757210465 MCSWOYBNMZBMRV-YADHBBJMSA-N 450.491 2.259 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)nc2)ccc1F 915605188 KBYBJYXBXRUQNP-IYBDPMFKSA-N 462.547 2.229 30 10 JEEE COc1ccc(C(C)=NNc2nc(SCCC(=O)Nc3ccc(S(N)(=O)=O)cc3)n[nH]2)cc1 1084067707 GPUIQBNEXZQDJE-UHFFFAOYSA-N 489.583 2.418 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCc1cnn(C)c1 1286294088 BGDBNNRXGUJGIL-MJGOQNOKSA-N 457.579 2.411 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2CCCc2cnn(C)n2)c1 1286310771 ZAIAUOZSMBODTF-UHFFFAOYSA-N 457.542 2.101 30 10 JEEE C#CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C(=O)NCC#C)CC1 1286325499 YNZCBLXJWDEWQN-OAQYLSRUSA-N 498.628 2.356 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1C[C@@H](F)COC)[C@@H]1CCS(=O)(=O)C1 1286394044 GIFNHMHPLZHMCS-RTBURBONSA-N 464.563 2.085 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2CCC(=O)N2CCCCCC2)CC1 1286482806 ZYEPEWBVKRIPBA-UHFFFAOYSA-N 464.614 2.425 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2C[C@H](COC)OC)CC1 1286490994 ZUWKVRHEXXTOMB-HXUWFJFHSA-N 478.553 2.227 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CC2(SC)CCN(C)CC2)CC1 1286494559 VJFVFFNKZWFOMH-HXUWFJFHSA-N 474.675 2.313 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1286820248 IBYVPPXAXUEYHS-DLBZAZTESA-N 488.488 2.159 30 10 JEEE C=CCS(=O)(=O)CCn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@@H](C(N)=O)C1 1286823375 MLVJBYZRKJLKMO-CQSZACIVSA-N 470.020 2.136 30 10 JEEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCN(C(=O)c2cccc(Cl)c2)CC1 1286824192 WTENVVQWPNHDHO-UHFFFAOYSA-N 482.006 2.031 30 10 JEEE C[C@@]1(C#N)CCCN(c2nnc(-c3cccnc3)n2CCc2ccc(S(N)(=O)=O)cc2)C1 1288976741 DDLNUIHEFXWWOT-QFIPXVFZSA-N 451.556 2.360 30 10 JEEE Cc1nc(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CC(=O)N2CCOCC2)sc1C 1289147346 ALAFXVSOIATNND-UHFFFAOYSA-N 451.556 2.233 30 10 JEEE COc1ccc(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)C[C@@H](C)C#N)cc1Br 1300141749 BWSLHPPWGCIDRG-KBPBESRZSA-N 499.435 2.498 30 10 JEEE C#CCN(c1nnc(COc2ccccc2OCC)n1C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1300504601 OQFUYFRIWXIAOO-RTBURBONSA-N 474.583 2.062 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](F)c1ccc(Br)cc1 1300509670 RODVXRWGOZWXIY-PBHICJAKSA-N 482.379 2.434 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CC(C)(C)N2C[C@H](C)O[C@H](C)C2)CC1 1300725813 DQWACCXCEGESDR-OYRHEFFESA-N 493.656 2.118 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(F)cc2)n1CCS(=O)(=O)N1CCSCC1 1300816951 YRRXGWJKFGUIPJ-JOCHJYFZSA-N 493.630 2.367 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1300893152 XWCXSOFWWIMDKA-NQIIRXRSSA-N 494.687 2.381 30 10 JEEE COCC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN(C)C2CCCC2)CC1 1300903067 CIAATOHNXMMNCG-UHFFFAOYSA-N 465.602 2.423 30 10 JEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 1301066710 TUTRIWBFCLDODF-SJORKVTESA-N 468.624 2.444 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)CC1 1301124482 JAQMVKKTCWPOCK-CMKODMSKSA-N 465.664 2.470 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@@H]1CCCN(c2ccccc2)C1 1301477559 BXVNLVHSBWMIDT-HXUWFJFHSA-N 474.569 2.333 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1301479218 WKQQWPAXXQDGGX-UHFFFAOYSA-N 499.019 2.350 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC(CC(=O)NC2CCCC2)CC1 1301498553 QLQMVMGYNMGUOB-HXUWFJFHSA-N 458.607 2.487 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1c1ccc(C)cc1 1301569082 PFKKJCQCAGZXTG-MJGOQNOKSA-N 481.644 2.139 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCc2oncc2C1 1301576099 SAAHRCHYURXCQO-UHFFFAOYSA-N 459.528 2.114 30 10 JEEE C=CCn1c(COc2ccccc2)nnc1S[C@H](C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 1307312457 QODIVYYVVZLCIG-CVEARBPZSA-N 450.586 2.169 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2CC2(N(C)C)CCC2)CC1 1359031003 MZLXEUSODRRRDJ-UHFFFAOYSA-N 460.424 2.286 30 10 JEEE C#CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CCS(C)(=O)=O 1359062550 LERHKHFPDWBSIE-INIZCTEOSA-N 471.649 2.197 30 10 JEEE C=C(Br)Cn1c(Cc2ccccn2)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1359085392 MHJQPPJVDIULEY-QGZVFWFLSA-N 484.420 2.203 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)NCCCC)CC1 1359097452 PGANNSFSTMTBGE-SBHAEUEKSA-N 458.607 2.343 30 10 JEEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1359202937 FLHJKFKFZYQDKU-RTBURBONSA-N 459.620 2.432 30 10 JEEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 1359303156 FXNWQJRMSXPEEK-IRLDBZIGSA-N 479.629 2.192 30 10 JEEE C=CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(C)C(=O)[C@@H]1C 1359340947 GLQNRXAOTIKGIR-INIZCTEOSA-N 467.599 2.261 30 10 JEEE C#C[C@H](NC(=O)c1cc(O)nc2ccc(S(=O)(=O)N3CCOCC3)cc12)c1ccccc1 1437074608 VBVLZRPVWGCKIG-FQEVSTJZSA-N 451.504 2.066 30 10 JEEE C#C[C@H](CO)NC(=O)C1(c2ccccc2)CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 1450350450 UHCWLKATMARKTK-MRXNPFEDSA-N 452.985 2.234 30 10 JEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(Cc3ccccc3)C(=O)CO2)C1 1455213045 SYAPLQPDXNUAES-CPJSRVTESA-N 455.555 2.323 30 10 JEEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1nc(C)c(C(=O)OC)s1 1457563751 AHNBIWWNBYEATJ-CYBMUJFWSA-N 450.542 2.474 30 10 JEEE C#CC1CCN(CC(=O)NCCN2C(=O)S/C(=C/c3ccc(OC)c(OC)c3)C2=O)CC1 1460291561 YDYODAROSBNUHD-XSFVSMFZSA-N 457.552 2.202 30 10 JEEE Cc1cc(O)nc(N2CCC[C@@H](NS(=O)(=O)c3cc(Br)cc(C#N)c3)C2)n1 1464525824 HXYMXKKSMNFEGO-CQSZACIVSA-N 452.334 2.072 30 10 JEEE C[C@H](CC(=O)NCCN(C(=O)OC(C)(C)C)C1CC1)/N=C1/NS(=O)(=O)c2ccccc21 1464773545 AANKYMATRPXSTK-CQSZACIVSA-N 450.561 2.019 30 10 JEEE COc1ccc(C(=O)N2CCOCC2)cc1NC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 1465446987 AVPDYXZCOTVCGI-SFHVURJKSA-N 451.483 2.119 30 10 JEEE CC(C)CS(=O)(=O)N1CCC(NS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CC1 1475144221 BCYACVNXZXTHDP-UHFFFAOYSA-N 453.508 2.306 30 10 JEEE Cc1nsc(N2CCN(S(=O)(=O)[C@@H]3CCCN(C(=O)c4ccccc4)C3)CC2)c1C#N 1475350098 DQXXEXRAICVIKU-GOSISDBHSA-N 459.597 2.080 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(N(C)C)CCC1 1507701655 NMVWISXBOQHSBU-IBGZPJMESA-N 459.591 2.443 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@H]2CCCCS2(=O)=O)CC1 1507722129 PTXRVUDPGXQLFA-RXVVDRJESA-N 475.590 2.280 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2cccc(C(C)(C)O)c2)CC1 1507739032 LAEZOELWNZLVTH-FQEVSTJZSA-N 451.571 2.024 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2Cc2cnn(CC(C)C)c2C)CC1 1507741051 KBJLIAZCYRLHRX-OAQYLSRUSA-N 453.591 2.305 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@](C)(O)C1CC1 1507763684 ADDLCFGGVCOJIM-DHIUTWEWSA-N 457.600 2.349 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(CC(N)=O)CC1 1507793685 BKKZXVZNPYEDNH-SIKLNZKXSA-N 487.626 2.422 30 10 JEEE C=C(C)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1507832989 RLWRMWLMGGBXTN-GOSISDBHSA-N 457.604 2.201 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1507916502 ROYYIVHPNVWUAU-DLBZAZTESA-N 453.609 2.497 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(=O)N2CCCC2)n1CCc1n[nH]c(C)n1 1507997727 DWUNXSFUTFRUHI-UHFFFAOYSA-N 450.547 2.385 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CCCN(C(C)=O)CC1 1508136431 GNOCGEXZDKLJNS-UHFFFAOYSA-N 451.980 2.258 30 10 JEEE C[C@](O)(Cn1c(-c2cccc(C#N)c2)nnc1N1CCCN(S(C)(=O)=O)CC1)c1ccsc1 1510233627 HMXBZQBNIPBOSM-QFIPXVFZSA-N 486.623 2.258 30 10 JEEE C#Cc1ccc(CNC(=O)c2cc(S(=O)(=O)N(CC)CC)ccc2N2CCOCC2)cc1 1526404838 RSRAQRRPHHHMLR-UHFFFAOYSA-N 455.580 2.465 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)CC)n2C[C@H]2CCN(S(C)(=O)=O)C2)c1 1539037567 HFKSVLZDSWBYIK-HKUYNNGSSA-N 472.615 2.129 30 10 JEEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 1539044667 GREUMXXORUHUAY-UHFFFAOYSA-N 469.565 2.120 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H](OC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1539204696 CABKIBHGGNZDOA-NVXWUHKLSA-N 484.420 2.333 30 10 JEEE C#CCN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1CCNS(=O)(=O)CC 1539351218 PMOOYSXOLHYYOO-UHFFFAOYSA-N 454.394 2.415 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H](C)N1CCOCC1 1539385097 WUKRQCXESFWZEY-CJFMBICVSA-N 471.577 2.430 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](C)CN1CCCC1 1539416354 MNBHLYZNWOILOW-NHCUHLMSSA-N 490.649 2.404 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCCO3)n2C[C@@H]2CCCN(C(C)=O)C2)n1 1539424176 NDKMAYAGMPNRLU-FYYLOGMGSA-N 483.617 2.261 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCC(=O)N3)n2Cc2csc(C)c2)n1 1539424743 WKXHHWDODGZOEX-LJQANCHMSA-N 453.572 2.130 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCN2CCOCC2(C)C)CC1 1539430916 ONRHDOMFOFWGRJ-HXUWFJFHSA-N 470.593 2.423 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccc(OC(F)F)cc2)CC1 1539430933 PAYCUOKPVATWTC-HSZRJFAPSA-N 461.513 2.335 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCc2ccsc2)CC1 1539466900 JDKFQBAZZVCFCR-UHFFFAOYSA-N 463.567 2.195 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H]2COc3ccccc3O2)CC1 1539467004 LJSORDPBZNCHOR-FQEVSTJZSA-N 494.596 2.002 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](C)N(C)c2ccccc2)CC1 1539476888 HEJSDIADLNELAR-LJQANCHMSA-N 460.586 2.169 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(CC)CC)n1Cc1cccc(OCC(N)=O)c1 1539533179 MAGPUARGCLRQAZ-XMMPIXPASA-N 452.559 2.101 30 10 JEEE C=C(Cl)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@](C)(C(=O)NC)C1 1539803386 ISZZBGAAPZAIAI-VFNWGFHPSA-N 468.986 2.301 30 10 JEEE C=CCCOCCn1c(-c2cc(Br)cn2C)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1540021752 YKMKHNHKLJFBBO-MRXNPFEDSA-N 478.395 2.195 30 10 JEEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCN1CCN(C)C(C)(C)C1 1540071460 GGTJJNMFIAETPX-UHFFFAOYSA-N 453.639 2.100 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ccccc1C)C1CC1 1540109571 RQCOTUHOZZXIJZ-FQEVSTJZSA-N 461.588 2.153 30 10 JEEE CC#CCS(=O)(=O)c1cccc(C(=O)NN2C(=O)N[C@](C)(CCc3ccccc3)C2=O)c1 1540521036 PCTCPZWRVWCOSP-HSZRJFAPSA-N 453.520 2.072 30 10 JEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccccc1C(=O)N1CCC(C(N)=O)CC1 1540821562 OVXQBEGZINPPRV-LJQANCHMSA-N 456.543 2.269 30 10 JEEE C=CC[C@H](C)NC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 1543657376 YNDRQFYUPOTRJO-IINYFYTJSA-N 455.886 2.352 30 10 JEEE CCCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@@](C)(C#N)C1 1547255296 GZHKBMBOERTFNI-QHCPKHFHSA-N 451.579 2.108 30 10 JEEE CN(C)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1)c1ccco1 1552748880 FBGYRWAMKRSHDS-MOPGFXCFSA-N 454.556 2.336 30 10 JEEE COc1ccc(-c2nnc(N(C)[C@H](C)CC#N)n2C[C@@]2(O)CCS(=O)(=O)C2)cc1Br 1554819953 CJFBZQFKELQSAN-YJYMSZOUSA-N 498.403 2.004 30 10 JEEE C#CCN(CC(=O)Nc1cc(-n2cnnn2)ccc1F)C1CCN(C(=O)OC(C)(C)C)CC1 1560143043 ONWPRQOJRHXVJB-UHFFFAOYSA-N 457.510 2.075 30 10 JEEE C=CCN(C(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)[C@@H]1CCS(=O)(=O)C1 1562062509 IVPSUTDVVWZPBH-GOSISDBHSA-N 455.602 2.458 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@@]1(N(C)C)CCSC1)[C@@H]1CCS(=O)(=O)C1 1588045973 UYLWASFGUPDWEF-XXBNENTESA-N 473.668 2.318 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CCN(CC)C1)[C@@H]1CCS(=O)(=O)C1 1588074527 NXRQLXFBGIHLOZ-DOIPELPJSA-N 477.675 2.165 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@](C)(O)C1CC1 1588185573 JKMUOKKZRNLWND-HSZRJFAPSA-N 454.600 2.171 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCOC[C@@H]1OC 1588472986 JYOWWQUBNKHNKT-FPOVZHCZSA-N 455.534 2.345 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccnc(OC(F)F)c2)CC1 1588865654 ZYYZAELVZRJRIZ-UHFFFAOYSA-N 487.536 2.070 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@@H](C)N(C)c2ccccc2)CC1 1588923884 PCEFALOEEFEMEM-LJQANCHMSA-N 458.570 2.226 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCOc2ccc(F)c(F)c2)CC1 1588930086 NGUMZMLSOKTJTJ-KRWDZBQOSA-N 459.497 2.105 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCc2cccc(F)c2)CC1 1588961825 NJGSSDLNZPTXTM-UHFFFAOYSA-N 463.561 2.487 30 10 JEEE C#CCSCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1589060196 OJFQVXNHIJFVPR-ZWKOTPCHSA-N 497.687 2.382 30 10 JEEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(c2cccnn2)CC1 1589305117 MQDPMXYADGNZQA-OAHLLOKOSA-N 452.357 2.027 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1CCC(C(=O)NCCOC)CC1 1589557401 HTLVXHGKVZUXRW-FYYLOGMGSA-N 468.602 2.224 30 10 JEEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC2(CC1)CNC(=O)C2 1593636668 PKSMYMSBMLUBQO-QGZVFWFLSA-N 460.579 2.269 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 1593746734 LWHKEWCSOMANLW-YPAWHYETSA-N 474.650 2.192 30 10 JEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](CCc2ccccc2)C1 1594733226 PGFLFPYLYXUTOH-FCHUYYIVSA-N 489.642 2.415 30 10 JEEE C=CCN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCN1CCN(C(C)=O)CC1)C1CC1 1595021112 UCSPTDTWVCNDIG-UHFFFAOYSA-N 486.020 2.180 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCN(C(C)=O)C1 1595142989 WGRKUMHFDPLYFO-FUHWJXTLSA-N 480.660 2.401 30 10 JEEE C=CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1595387290 YZDNPYSVCNQGMN-UHFFFAOYSA-N 464.574 2.491 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 1595798580 QTSOFTOMHQVBNJ-AZUAARDMSA-N 481.663 2.150 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@H](N2CCCC2=O)C1 1595824145 WYJDRYOMKQZJRN-FQEVSTJZSA-N 487.626 2.276 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(CC(=O)NC3CCCC3)CC2)s1 1597439245 HCXDLQVGJBIJIP-UHFFFAOYSA-N 453.630 2.442 30 10 JEEE CCOc1ccccc1OCc1nnc(N2CCC(CC#N)CC2)n1CCN1CCCS1(=O)=O 1616472724 BEGSBLWDAAIASY-UHFFFAOYSA-N 488.614 2.421 30 10 JEEE COCCN1C[C@H](Cn2c(Cc3cccnc3)nnc2N(C)Cc2ccc(C#N)cc2)CC1=O 1619930076 BOLRXYGBRRETBG-JOCHJYFZSA-N 459.554 2.267 30 10 JEEE CN(CCOc1ccc(S(N)(=O)=O)cc1)C(=O)c1cnn(CCC#N)c1-c1ccccc1 1641723758 HJJBHLIEEPZTFR-UHFFFAOYSA-N 453.524 2.262 30 10 JEEE C#CCN(C(=O)c1cc(S(=O)(=O)NCC(N)=O)ccc1Cl)[C@H]1CCCc2ccccc21 1645389640 FJCNENGMNYHEFA-FQEVSTJZSA-N 459.955 2.257 30 10 JEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](COC)c2cccc(Br)c2)c1 1649194837 CNGMYDZPESHJGX-SFHVURJKSA-N 451.342 2.478 30 10 JEEE C#C[C@H](NS(=O)(=O)c1cnn(C)c1I)c1ccc(Cl)cc1F 1661920619 UTFGYECNWLNSRG-NSHDSACASA-N 453.664 2.470 30 10 JEEE C=CCNC(=O)c1ccc(NC(=O)N2CCN(CC(=O)Nc3ccccc3OC)CC2)cc1 1666222431 GXJKCORTNTWAHK-UHFFFAOYSA-N 451.527 2.399 30 10 JEEE C=CCC[C@H](NC(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1)c1ccccc1 1680580877 NCFSNQCODIJGSE-SBHAEUEKSA-N 450.605 2.375 30 10 JEEE C#C[C@H](NC(=O)N1CCC(NS(=O)(=O)NCC(F)(F)F)CC1)c1ccc(Cl)cc1 1682351835 BRGKQEJUDIAHSQ-HNNXBMFYSA-N 452.886 2.175 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCOc1cccc(Cl)c1 1689930676 XBVPDCIWGOBPQA-IBGZPJMESA-N 482.006 2.193 30 10 JEEE C#CCN(c1nnc(CSc2ccc(C)cc2)n1C[C@@]1(C)COCCO1)[C@H]1CCS(=O)(=O)C1 1689996308 GYJPSWSTPYZHDN-CVDCTZTESA-N 490.651 2.311 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1CCOc1ncccc1F 1690103645 FPZIUUCPZBMLRH-HXUWFJFHSA-N 453.474 2.490 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H](c2cccc(OC)c2)N(C)C)CC1 1690146116 GFQJSBKUBVMHBZ-UPVQGACJSA-N 494.640 2.449 30 10 JEEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(N2CCCCC2=O)CC1 1690188223 FRWUTXHXQDRDQK-RXVVDRJESA-N 461.632 2.350 30 10 JEEE C=C(Br)Cn1c(-c2ccccc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1690224664 REZVJQUBGBPKDY-UHFFFAOYSA-N 461.364 2.027 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(OC)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1690252144 AHAXNVLJJGHGDE-UCFCWBNQSA-N 485.585 2.188 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CN2CCCC2=O)n1C[C@]1(C)COCCO1 1690561123 DSOPEPMNCNFDNY-XMMPIXPASA-N 450.543 2.270 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCN(Cc2cc(C)no2)CC1 1690720026 YFPXZMHZDKEDDZ-UHFFFAOYSA-N 486.598 2.173 30 10 JEEE C#CCCCCn1c(N2CCCN(Cc3noc(C)n3)CC2)nnc1[C@]1(OCC)CCOC1 1705521987 RLLJUUHTLKJTAY-QHCPKHFHSA-N 457.579 2.137 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCOc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1705565256 HOWMWWGORMWZFI-WIYYLYMNSA-N 474.583 2.234 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H](C)N(C)Cc2ccccc2)CC1 1705634894 LQGZGOHEGVZSGG-NVQXNPDNSA-N 466.630 2.206 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@H]2NC(=O)CC2(C)C)CC1 1705635178 SNTIRLIYLNXWRI-GOSISDBHSA-N 471.403 2.378 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCN(C)c2ccccc2)CC1 1705635304 VXNHXLGFPNNDKS-RUZDIDTESA-N 452.603 2.210 30 10 JEEE C#CCN1CCN(c2nnc(Cc3cn4ccccc4n3)n2CC[C@H](OC)C(F)(F)F)CC1 1705641020 NHVLOEPUUDPQPY-SFHVURJKSA-N 461.492 2.239 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3OCC)n2CCN2CCOCC2(C)C)CC1 1705643077 RDWPJIFOSMPWMP-UHFFFAOYSA-N 482.629 2.122 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CC(C)(C)CN2CCCC2)CC1 1705648364 RZRXLIAMFYSDRD-NRFANRHFSA-N 456.635 2.260 30 10 JEEE C#CCSCCn1c(N2CCN(c3nc(C)cc(C)n3)CC2)nnc1[C@@]1(OCC)CCOC1 1705665500 VUIMSIKXJPOOFR-HSZRJFAPSA-N 471.631 2.030 30 10 JEEE C=CCCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1705822000 PHXNWJMGTFOGEU-XXBNENTESA-N 468.650 2.485 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CN2CCCC2=O)n1C[C@@]1(O)CCO[C@@H]1C 1705861112 UKGFXRBOIYMGGL-KOSHJBKYSA-N 450.543 2.005 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@H](c2nc(C)no2)C1 1705896320 IWIKECFDOZESKQ-INIZCTEOSA-N 467.530 2.340 30 10 JEEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)[C@H](C)c1ccco1 1705900374 AGTMCYGEUPZOOJ-OAHLLOKOSA-N 457.560 2.331 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[C@H](CNC(C)=O)C2)cc1 1705911297 DRNLTMHYXYXSSS-CTNGQTDRSA-N 452.559 2.195 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCC(=O)N(C)C)C1 1705916831 RMWAOUPOUOIBJS-GOSISDBHSA-N 460.966 2.121 30 10 JEEE COCC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CSCCS2)CC1 1712108301 HBDSDGLHWXYVLJ-IBGZPJMESA-N 472.640 2.397 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2Cc2cnc(C)s2)c1 1722306764 VXMHREDUOHNXLZ-UHFFFAOYSA-N 463.567 2.384 30 10 JEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1722325787 OLQUZRXCMDWXMD-HSZRJFAPSA-N 468.583 2.248 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCN(C)[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1722358936 GYNJJQXXDLMCNX-WIYYLYMNSA-N 454.600 2.174 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CCC(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 1722359879 QMMVTRUVKYJVLR-GOSISDBHSA-N 463.991 2.140 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1CCNC(=O)c1cccs1)[C@H]1CCS(=O)(=O)C1 1722361660 IPVBYVVSLKKGBD-SFHVURJKSA-N 483.619 2.372 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H](c1ccsc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1722362354 SVRGYADAWVMFHL-HKUYNNGSSA-N 458.613 2.264 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2OC)n1C[C@H]1CCCCS1(=O)=O 1722392148 IILWCRPGIWSIPX-LJQANCHMSA-N 456.568 2.393 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCN2CCC[C@@H](C)C2)CC1 1722435263 FLAIONSVDUGUIM-HXUWFJFHSA-N 452.603 2.449 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCSCC#C)CC1 1722443119 NUKPMJAVGNPTLQ-UHFFFAOYSA-N 467.595 2.295 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1OCCC1(C)C 1722446590 FCFJFKHHHPDYOV-IBGZPJMESA-N 450.543 2.093 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(N2CCN(Cc3nc(COC)no3)CC2)nnc1C(C)(C)C 1722499319 IKRALNGPEOJQOW-FXAWDEMLSA-N 459.595 2.408 30 10 JEEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1cccnc1-n1cccn1 1722632157 JNEWNPGIRXLZPI-UHFFFAOYSA-N 478.582 2.447 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(F)(F)c1ccccc1 1723777992 CLSOSNWFMAUCJV-RDJZCZTQSA-N 468.530 2.141 30 10 JEEE CO[C@]1(Cn2c(CC(C)(C)C)nnc2N2CCN(c3nccnc3C#N)C[C@H]2C)CCOC1 1729948623 FDVXMMQYWNRVAA-HXOBKFHXSA-N 454.579 2.049 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)SC 1730749692 FNVJOFSLOVDKOS-LPHOPBHVSA-N 463.629 2.456 30 10 JEEE COCCN(CCC#N)c1nnc(CN2CCCC2=O)n1Cc1nc2cccc(Cl)c2n1C 1730763089 CCPXHPZKOFPGAI-UHFFFAOYSA-N 470.965 2.355 30 10 JEEE C#CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC2(CC1)CNC(=O)C2 1740575884 WJEIHOOTUJGGDX-LJQANCHMSA-N 486.617 2.497 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1740618605 JHIBCCYHRDBWLC-OAQYLSRUSA-N 497.581 2.465 30 10 JEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CC[C@@](C)(O)c1ccccc1 1740684590 VTLZQXPPHSFFFC-XMMPIXPASA-N 451.527 2.390 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(C)cc2)CC1 1740701124 VJBPCUUPEXWFNG-UHFFFAOYSA-N 457.538 2.248 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[C@H](C)c2ccccc2)CC1 1740701727 BWLAJHRTQXCVRK-RBUKOAKNSA-N 486.642 2.048 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2CCn2cc(C)cn2)CC1 1740707335 YRSQPIRCDRPVNP-UHFFFAOYSA-N 461.570 2.048 30 10 JEEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCc2nc(O)c(C#N)cc2C1 1740710253 UKEONDJIJAKLJB-UHFFFAOYSA-N 453.572 2.098 30 10 JEEE C#CCSCCn1c(N2CCC[C@@H](C(=O)NC)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740724116 XVQWJKBWOMXNBI-KURKYZTESA-N 476.647 2.378 30 10 JEEE C=C(C)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1740785649 SHUQJSSZVAIULA-UHFFFAOYSA-N 476.534 2.212 30 10 JEEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(=O)c2ccccc2)CC1 1740876784 WLZAGIYQWKFDRS-HXUWFJFHSA-N 457.600 2.499 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](C(=O)NC)C1 1740987482 UOXUSWKDDUGMTO-MRXNPFEDSA-N 451.980 2.162 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CCN(c2nccnc2C)CC1 1740994755 WAFJEZZNHLVIRY-UHFFFAOYSA-N 497.625 2.191 30 10 JEEE CC(=O)N1CCC[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N(C)C[C@H]2CCOC2)C1 1741030137 DWXLFDGFDKDBJQ-NHCUHLMSSA-N 452.559 2.460 30 10 JEEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1748730819 UXBYTAJSJUVQIX-UHFFFAOYSA-N 454.535 2.240 30 10 JEEE C#CCCCn1c(COc2ccc(Br)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1748759366 IBSJBLBNKYLSKR-CRAIPNDOSA-N 477.359 2.393 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCC1(O)CCC1)[C@H]1CCS(=O)(=O)C1 1748802928 UFFUMAIXFPQIIE-FQEVSTJZSA-N 485.610 2.079 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1CC1(N2CCOCC2)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1748804525 ISNBRPKUHRYZPE-NHCUHLMSSA-N 477.675 2.453 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@H](C(C)C)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1748819008 ILOXNVLDJOMEFY-LEWJYISDSA-N 490.699 2.381 30 10 JEEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1Cc1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 1748820402 BENUMUFDXKTGHH-IBGZPJMESA-N 483.619 2.253 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CC(C)(C)CN2CCCC2)CC1 1749011162 WRXMSCZPZBJTEE-UHFFFAOYSA-N 451.619 2.371 30 10 JEEE C#CCSCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1749026695 OGXVIPWDPHIGIO-UHFFFAOYSA-N 495.609 2.306 30 10 JEEE C=C(Br)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H]1c1nncn1C 1749083036 AVDKAEOMPYAFJL-CYBMUJFWSA-N 458.324 2.304 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(=O)N(C)Cc2ccccc2)CC1 1749342727 MWOKCYVWIQGYAY-FQEVSTJZSA-N 457.600 2.241 30 10 JEEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCO[C@@H](c2ccc(Br)cc2)C1 1749679732 AAIQERUYQWFFOI-QGZVFWFLSA-N 464.364 2.457 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CN(Cc3ccccc3)CCCO2)C1 1749693650 LCSNDDSCDRBBAD-GOTSBHOMSA-N 482.629 2.489 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)C[C@@H]1CCCCO1 1749726769 DENVMDLNKBKQFQ-SFHVURJKSA-N 462.572 2.322 30 10 JEEE C[C@H]1SCCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)[C@@H]1C 1752459859 ABQZUKIBMWRCOT-IAGOWNOFSA-N 476.628 2.094 30 10 JEEE C#CCCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(NC(=O)COC)CC1 1760138955 NHJFRIBBRMKPII-NRFANRHFSA-N 453.543 2.326 30 10 JEEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1760147520 AFJWGODTUNJZKX-UHFFFAOYSA-N 483.374 2.270 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CCN1CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1760185927 HAXXVOJSJMXCBO-ZWKOTPCHSA-N 477.581 2.258 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CC(C)(C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1760191919 BILUPCKMEXYTJH-OTWHNJEPSA-N 452.621 2.311 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1Cc1nccc(C(F)F)n1)[C@H]1CCS(=O)(=O)C1 1760192419 UMDFKJOPVGCCJB-SFHVURJKSA-N 486.548 2.466 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCn2ccnc2C)CC1 1760259960 SXDIBLMYXIGHJY-NRFANRHFSA-N 482.633 2.353 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CCCOC[C@H]2CCCO2)CC1 1760266639 HDSJLTFEUMTYGW-HXUWFJFHSA-N 455.559 2.398 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Cl)c3)n2CCCn2ccnn2)CC1 1760266814 NMJULSUUNVVOEE-UHFFFAOYSA-N 452.950 2.246 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](C)N2CCC(C)CC2)CC1 1760269561 LNZIXLPGZCONBD-IFMALSPDSA-N 456.635 2.258 30 10 JEEE C#CCSCCn1c(COc2ccc(Cl)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1760285580 KPMOVWZPJVKSQR-SFHVURJKSA-N 489.001 2.350 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccn2C)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1760317830 AZQFHKLEXWXCQU-VIZSFHNOSA-N 469.634 2.302 30 10 JEEE C=C(C)Cn1c(N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)nnc1[C@@]1(OCC)CCOC1 1760349187 CQBKTFWKZSULQZ-HTAPYJJXSA-N 451.568 2.236 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1760412055 HMNPBRCDQAHEOD-ROUUACIJSA-N 451.637 2.476 30 10 JEEE C=CCCCCn1c(COCC)nnc1N1C[C@@H]2[C@H](C1)[C@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1760429521 GBTUJIYQDBCHIQ-KZNAEPCWSA-N 483.635 2.297 30 10 JEEE C=CCn1c(CCc2ccc(OC)cc2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1760512215 NYNKCMHHMJKSGF-XXBNENTESA-N 452.603 2.247 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 1760518344 QWVALOOTGARNJJ-MRXNPFEDSA-N 460.966 2.318 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 1760520987 GRTRNSXCRHLKEC-KRWDZBQOSA-N 452.519 2.035 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(c2nc(C)c(C)s2)CC1 1760552508 QIFHDOUPOZPOGU-UHFFFAOYSA-N 473.628 2.341 30 10 JEEE C[C@@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CSCCS1 1763038642 DWWQVECACZKHOM-CRAIPNDOSA-N 458.613 2.244 30 10 JEEE C=CCN1C(=O)C(NCCc2ccc(S(N)(=O)=O)cc2)=C(c2ccc(OCCC)cc2)C1=O 1863683393 LQBOZRKQMGYVMS-UHFFFAOYSA-N 469.563 2.221 30 10 JEEE C=CCn1cc(OCC(=O)NCCCC)c(=O)cc1CN1CCN(Cc2ccc3c(c2)OCO3)CC1 1870516426 JMYLFIKJEZVUCS-UHFFFAOYSA-N 496.608 2.376 30 10 JEEE C=CCn1cc(OCC(=O)NCCC)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870681672 JPYIUXQUWNNJIB-UHFFFAOYSA-N 454.571 2.270 30 10 JEEE C=CCn1c(C(=O)NCCCN(CC)CC)cc2c(N3CCN(C(=O)OCC)CC3)ncnc21 1873593928 XRVXCKXCEJRPBP-UHFFFAOYSA-N 471.606 2.358 30 10 JEEE CC(=O)NCc1nnc(SCC(=O)Nc2cccc(C)c2)n1/N=C/c1ccc(O)c(O)c1 1874431293 JAVVXTHRSGTUPB-AUEPDCJTSA-N 454.512 2.247 30 10 JEEE CCOc1ccc(/C=N/n2c(CNC(C)=O)nnc2SCC(=O)NCc2ccco2)cc1OC 1874433519 OZDYTQPPFDVPJX-OPEKNORGSA-N 486.554 2.205 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@@H](C(=O)Nc3cc(B4OC(C)(C)C(C)(C)O4)ccn3)[C@@H]2C1 2206631987 JPXFRGAIAYLOII-BBWFWOEESA-N 459.352 2.201 30 10 JEEE CC1(C)OB(c2ccc(S(=O)(=O)NC3[C@@H]4CN(Cc5ccccc5)C[C@@H]34)s2)OC1(C)C 2255754416 ZCWLSXBEEDNRFA-IAGOWNOFSA-N 460.430 2.456 30 10 JEEE CN(Cc1ccccc1)[C@H]1CCN(S(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2267709097 VWPKBIGPJICNFV-SFHVURJKSA-N 477.461 2.478 30 10 JEEE C[C@H](CN(C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(O)cc1O)NC(=O)OC(C)(C)C 2267805591 LKADNADXUGRIKE-CYBMUJFWSA-N 450.341 2.382 30 10 JEEE CC(C)[C@]1(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)CCN(C(=O)OC(C)(C)C)C1 2268637095 JQUKVCDMASWMHR-NRFANRHFSA-N 466.413 2.481 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)C1CCN(C(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)CC1 2281820515 CMGWXVSZFICVTQ-HNNXBMFYSA-N 462.400 2.485 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)C1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)CC1 2281966450 JHZFFMITCNLXCM-HNNXBMFYSA-N 462.400 2.485 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2C[C@H](NC(=O)c3ncc(B4OC(C)(C)C(C)(C)O4)cn3)C[C@@H]21 2282019296 JOJAIJKICBMWCE-QSPRXWTASA-N 458.368 2.197 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)n1 2282036286 HCSWKPLJGDRRBK-INIZCTEOSA-N 456.352 2.274 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)c1n[nH]c(NC(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)n1 2282062448 YOIWEOLXSVJIJM-LBPRGKRZSA-N 458.328 2.337 30 10 JEEE CC(C)(C)OC(=O)NCCN(CCO)C(=O)c1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1F 2282076734 MBUBTQIGNMBECE-UHFFFAOYSA-N 470.322 2.223 30 10 JEEE CO[C@H]1C[C@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cn2C)N(C(=O)OC(C)(C)C)C1 2282176474 UFUHCBMRHCMTDN-SJORKVTESA-N 463.384 2.079 30 10 JEEE COC1(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)CCN(C(=O)OC(C)(C)C)CC1 2282202854 JPBNCNFKDGCHRO-UHFFFAOYSA-N 463.384 2.460 30 10 JEEE CN1CCC(CNC(=O)OC(C)(C)C)(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)CC1 2282203914 GBZIRZFMOVDEDS-UHFFFAOYSA-N 462.400 2.033 30 10 JEEE CC[C@@H](CN(CC)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)NC(=O)OC(C)(C)C 2282333217 LSOAVLCQYHDRBM-HNNXBMFYSA-N 486.444 2.033 30 10 JEEE CC1(C)OB(c2ccc(S(=O)(=O)N3C[C@H]4[C@@H](C3)OCCN4Cc3ccccc3)s2)OC1(C)C 2282334877 HRWVNWSUBZBFNH-RBUKOAKNSA-N 490.456 2.321 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H]2CN(S(=O)(=O)Cc3ncsc3B3OC(C)(C)C(C)(C)O3)C[C@H]21 2282496065 VOTYLJZAMHSZRI-GOEBONIOSA-N 499.464 2.213 30 10 JEEE COCCN(C(=O)c1nc(C)sc1B1OC(C)(C)C(C)(C)O1)C1CN(C(=O)OC(C)(C)C)C1 2282514093 YUUXSCQYTOLRFJ-UHFFFAOYSA-N 481.424 2.459 30 10 JEEE C[C@@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2CN1C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2282551196 IEJLHRLOTJWDLX-OAGGEKHMSA-N 460.384 2.047 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2SC)n1 2282601204 ZZVUTPBLOFWQMT-CVEARBPZSA-N 480.440 2.283 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@H]2CCN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)sn3)C[C@@H]21 2282604277 QZWMBVOSSBUXJM-HOTGVXAUSA-N 479.408 2.293 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1[C@@H]2C[C@H]2CN1C(=O)OC(C)(C)C 2282610599 YWQSYSYQLNBTHA-ZMSDIMECSA-N 460.384 2.187 30 10 JEEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@H](CNC(=O)c1ncc(B3OC(C)(C)C(C)(C)O3)cn1)C2 2282625290 SUPRJCKPKXFLJE-XIRDDKMYSA-N 458.368 2.294 30 10 JEEE C[C@@H](C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1)N1CCN(C(=O)OC(C)(C)C)CC1 2283959683 PEOQMDSSWVPQRX-INIZCTEOSA-N 460.384 2.261 30 10 JEEE CN1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)NCc1ccccc1B1OC(C)(C)C(C)(C)O1 2283964566 SWSJCRYPSPTWAI-IBGZPJMESA-N 459.396 2.153 30 10 JEEE COC1CC(C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)(N(C)C(=O)OC(C)(C)C)C1 2284057525 AJRVMAUZOALCDS-UHFFFAOYSA-N 481.424 2.473 30 10 JEEE C[C@@H](OCc1ccccc1)[C@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1O)C(=O)O 2284474489 LMWLLUVJGWYWHQ-QRWLVFNGSA-N 455.316 2.480 30 10 JEEE CN(C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CN(C(=O)OC(C)(C)C)CC1(C)C 2289961522 ZCMUUBFQUMMVOG-MRXNPFEDSA-N 462.400 2.437 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CCO)C(=O)Nc1cc(F)c(F)cc1B1OC(C)(C)C(C)(C)O1 2351770503 VDHHVAHRJDTERY-OAHLLOKOSA-N 456.295 2.478 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@H]1CNc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2365117979 UUYBAMTYIVQKDW-PMAUICAPSA-N 461.368 2.479 30 10 JEEE COc1ccc(/C=N/Nc2nnc(SCC(=O)NCc3ccc(C)cc3)n2N)cc1OC 20292784 GEFUHNHUUHIMKR-WYMPLXKRSA-N 455.544 2.172 30 10 JEEE COc1ccc([C@@H]2/C(=C(/O)c3ccc(OC)c(OC)c3)C(=O)C(=O)N2CCN2CCOCC2)cc1 102527151 FBXIDMWZAUCTNR-UGUGFTGJSA-N 482.533 2.466 30 10 JEEE CN1CCN(c2ccnc3c2c(B2OC(C)(C)C(C)(C)O2)cn3S(=O)(=O)c2ccccc2)CC1 201027073 SBSLUUXDXYJYCC-UHFFFAOYSA-N 482.415 2.324 30 10 JEEE C=C(C)COc1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C[C@@H]3CCCO3)c2=O)ccc1OC 489092262 ASBDCJKXPUHKDF-IBGZPJMESA-N 497.617 2.080 30 10 JEEE C=CCNC(=O)CN1CCN(C(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)CC1 516248944 QPCRJKGBCHCVCI-UHFFFAOYSA-N 476.606 2.473 30 10 JEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccc(Cl)cc1 729668768 QJOSXRFTZDHSAI-UHFFFAOYSA-N 461.934 2.005 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)NC3CCN(C(=O)C4CCCCC4)CC3)cc2C1=O 918812618 QVFRQCLDILITCU-UHFFFAOYSA-N 481.549 2.313 30 10 JEEE COC[C@]1(C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)CCN(C(=O)OC(C)(C)C)C1 1135853753 GXEKDFGGQUICGR-QHCPKHFHSA-N 459.547 2.346 30 10 JEEE C#CCCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1286316870 HDTBSJZAXGPSEG-IBGZPJMESA-N 456.568 2.393 30 10 JEEE C#CCN(c1nnc(C(C)C)n1Cc1cc(OC)c(OCC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1286383131 CUDKNQLAAUSXDR-GOSISDBHSA-N 476.599 2.492 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1286564164 MIVLRUDATZZMDV-DYESRHJHSA-N 494.687 2.475 30 10 JEEE C=C(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(CCOC)[C@@H](CC)C1 1286592218 QZYUEHFLZVCTDD-SFHVURJKSA-N 461.636 2.361 30 10 JEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C(=O)NCC)cc2)CC1 1286651315 APSWILNWJDSXEE-MRXNPFEDSA-N 460.604 2.089 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cn2nc(C)cc2C)n1C[C@@]1(O)CCOC1 1286740602 QYCOXOQCBYETJA-DEOSSOPVSA-N 452.559 2.492 30 10 JEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1286776455 ZHHHXJUFGVQCGB-MSOLQXFVSA-N 460.579 2.364 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(c2ccc(C(C)=O)cc2F)CC1 1286790096 ZTDKKDIRDLINJV-UHFFFAOYSA-N 477.544 2.234 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1286792219 RGGGBBFYWSLMFC-IBGZPJMESA-N 479.585 2.162 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@H]2CC[C@@H]21 1286814782 GUKJQBICBKBDPA-XLIONFOSSA-N 493.655 2.175 30 10 JEEE CCNC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC[C@@H](F)C2)CC1 1296296926 BZSONCBWKKTQMZ-WOJBJXKFSA-N 469.565 2.125 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCS(=O)(=O)CC 1300303163 ITKIPLJITNALJX-IRXDYDNUSA-N 453.609 2.285 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H](CC)OC)[C@@H]1CCS(=O)(=O)C1 1300484444 SGDQTTVSELNTSL-HUUCEWRRSA-N 470.393 2.087 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1CCCO[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1300486796 BGYJOUOJVOPPMH-PMACEKPBSA-N 458.584 2.076 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@H](Cc1ccccc1)OC)[C@@H]1CCS(=O)(=O)C1 1300502778 XDZMVWAUMUDBKN-PKTZIBPZSA-N 496.637 2.024 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCC(F)(F)C1)[C@@H]1CCS(=O)(=O)C1 1300504959 WQJKFHIZFQGCLG-ZWKOTPCHSA-N 466.558 2.202 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(N2CCOCC2)CCSC1 1300572238 SDXMLRPVEYEHOM-RUZDIDTESA-N 460.607 2.488 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(Cl)c3)n2CCCN2CCC[C@H]2C(=O)N(C)C)CC1 1300689380 UYTGPWNBOMKCGT-QFIPXVFZSA-N 484.048 2.296 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2CC[C@H]2COCCO2)CC1 1300691034 MUEHFCYTYIIHLQ-SFHVURJKSA-N 490.402 2.277 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2C[C@H](C)CN2CCN(CC)CC2)CC1 1300701091 GEQZBSHAGGUSNX-HSZRJFAPSA-N 463.674 2.206 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2C[C@@H](OC(C)(C)C)C2(C)C)CC1 1300721984 DZNATQJYBMTRCZ-VAMGGRTRSA-N 484.645 2.425 30 10 JEEE C=C(Br)Cn1c(-c2noc3c2COCC3)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 1300845244 VFNGEROUFYXMRX-LBPRGKRZSA-N 474.381 2.174 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(Cc2ccc(F)cc2)CC1 1300952009 DMJRLJDJWXARBG-NRFANRHFSA-N 492.621 2.039 30 10 JEEE C=C(Cn1c(C)nnc1N1C[C@@H]2[C@H](C1)[C@H](NC(=O)OC(C)(C)C)CS2(=O)=O)c1ccccc1 1301003276 ILZZWTPDFASMHV-VAMGGRTRSA-N 473.599 2.426 30 10 JEEE COC[C@H](Cn1c(Cc2ccccc2F)nnc1N1CCN(c2ccc(C#N)cn2)CC1)OC 1301025418 IDIZIUDWJRUDQD-FQEVSTJZSA-N 465.533 2.263 30 10 JEEE C=C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1301069929 HYYCTWNUCOJPMP-AWEZNQCLSA-N 469.409 2.474 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(C(=O)OCC)CC1 1301483136 IAMLBFAVTYZQDB-UHFFFAOYSA-N 464.473 2.127 30 10 JEEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCN(CC(=O)Nc2ccccc2CC)CC1 1301498309 MMMIFTOWEOIKMP-UHFFFAOYSA-N 465.602 2.171 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCOC2(CCC2)C1 1301500116 JKWPNMVKRRMLRB-GOSISDBHSA-N 474.606 2.454 30 10 JEEE C#CCCCCn1c([C@@H]2CCOC2)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1358912217 LHRIDWYJMWMIRD-GOSISDBHSA-N 461.563 2.236 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1358956982 NSUACTNTWGVDBL-FXAWDEMLSA-N 486.573 2.389 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1CCCOCC(F)F)[C@H]1CCS(=O)(=O)C1 1358959468 JIUFPUVHANQICF-KRWDZBQOSA-N 496.536 2.015 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H](C)CN1CCOCC1 1358987051 QAWFAMYHLBEWJX-QGZVFWFLSA-N 459.392 2.467 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](C)N(C)C1CC1 1358991911 TXAQZDOYEPBGQN-GOSISDBHSA-N 453.616 2.184 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cscc2C)n1 1359028595 XMYAINCYVFKZBC-GOSISDBHSA-N 488.639 2.081 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2CCc2nnc(C)s2)CC1 1359042488 INSAZHZONFCMNM-UHFFFAOYSA-N 465.583 2.322 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@H](COC)OC 1359072992 YGSNEMNKNADUAB-JYFHCDHNSA-N 466.630 2.296 30 10 JEEE C=C(C)COCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC[C@H](C(=O)NC)C1 1359131159 JPQHYYZBBAQDCW-SFHVURJKSA-N 479.585 2.230 30 10 JEEE C=CCCOCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1359224435 QVVYOSYCHAKBDP-UHFFFAOYSA-N 475.981 2.160 30 10 JEEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@H](OCC(C)C)C1 1359300684 IMJWWVCWZWLSOY-FQEVSTJZSA-N 468.606 2.006 30 10 JEEE C=CCNC(=O)Cn1c(N(C)Cc2cn(C)nc2C(F)(F)F)nnc1[C@]1(OC(C)C)CCOC1 1359306003 SOXLCMHMNKUXQL-FQEVSTJZSA-N 485.511 2.010 30 10 JEEE CC(=O)NCC1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2nnc(C)s2)CC1 1359444296 DZJZRPMAEYTTCY-UHFFFAOYSA-N 466.571 2.290 30 10 JEEE CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCCC2(C)C)CCO1 1359446722 HKTSIEBBOIBMEX-YKSBVNFPSA-N 452.559 2.099 30 10 JEEE CSC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1505147096 ACXKLRNBWJODQZ-HNNXBMFYSA-N 495.650 2.367 30 10 JEEE C#CCN(c1nnc(C(C)C)n1CCc1c(OC)cc(OC)cc1OC)[C@@H]1CCS(=O)(=O)C1 1507623903 YWKJCFKVCWXPOA-QGZVFWFLSA-N 476.599 2.297 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCO3)n1CC1(NC(=O)OC(C)(C)C)COC1 1507646819 YRYWHTSYSHCJDF-UHFFFAOYSA-N 465.510 2.040 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H]2OCC[C@H]2C)CC1 1507733642 GTGPVIAKNCFSMU-DYESRHJHSA-N 499.015 2.252 30 10 JEEE C#CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1cnn(C)c1 1507750816 FOBABGKLGVPAPX-SFHVURJKSA-N 475.619 2.323 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1507804893 MNBRDCJOAMQNIB-UEXGIBASSA-N 494.687 2.381 30 10 JEEE C=C(Cl)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1507856168 FICLXTZIWRIWHD-SFHVURJKSA-N 474.949 2.481 30 10 JEEE C=C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC1 1507881618 SKNUNTLNEKJBHP-XLIONFOSSA-N 459.513 2.350 30 10 JEEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCS(=O)(=O)CC1CC1 1507980547 JKTJLBCFFSSGAD-KRWDZBQOSA-N 469.608 2.034 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCCO1 1508007942 JPLJYQUTHRRRFU-IEBWSBKVSA-N 481.644 2.434 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O)C(C)C 1508014604 VUTKGMCNZGEFDG-FQEVSTJZSA-N 480.617 2.492 30 10 JEEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1508058861 INUTVQHQNLTOAA-FUHWJXTLSA-N 460.579 2.268 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(Cc2csc(CC)n2)CC1 1508136905 IYVLOZUPNUZRNG-UHFFFAOYSA-N 475.644 2.215 30 10 JEEE C=CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCC(=O)NC 1508160465 GLKLTWGNQSMUHY-INIZCTEOSA-N 468.624 2.078 30 10 JEEE C[C@H]1CCC[C@@](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(S(C)(=O)=O)CC2)(N(C)C)C1 1512095090 GHLMCJKYZYVTHU-YADARESESA-N 485.658 2.409 30 10 JEEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cccnc2OCC)C1 1516022346 FIWVLCOCFJXHGJ-FQEVSTJZSA-N 481.582 2.177 30 10 JEEE CN(C)C(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(CC(=O)N(C)C)CC1 1516952807 GBLSHQDRGIUEAS-UHFFFAOYSA-N 451.575 2.380 30 10 JEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(F)cc1F 1539072518 SCJOXTAWDNGEIW-IBGZPJMESA-N 467.542 2.329 30 10 JEEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1539088966 CNFPAGYCTZGPNK-HJPURHCSSA-N 451.531 2.442 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1539206603 SFEUQWBEBBFVGK-URFJDIBFSA-N 464.632 2.382 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1C[C@@H](C)N(C)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1539225591 PIFTZOHYRUZBHK-DENIHFKCSA-N 455.628 2.378 30 10 JEEE C#CCN(CC#CC)c1nnc(Cc2ccsc2)n1CCNS(=O)(=O)c1ccccc1 1539332128 GKKIUFUWPSYKQV-UHFFFAOYSA-N 453.593 2.372 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@](C)(O)[C@@H](C)CC)CC1 1539452350 PYOYDSFQYVQZGU-ZYLNGJIFSA-N 490.649 2.139 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CCCCn2cc(Br)cn2)CC1 1539454130 XELNSXZHPMPIGL-UHFFFAOYSA-N 483.418 2.459 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCN2CCCC2)CC1 1539470662 USJUCFCZAAWSTB-UHFFFAOYSA-N 466.586 2.024 30 10 JEEE C=C(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1539700144 PBRMFRFREZGMAV-UHFFFAOYSA-N 457.560 2.030 30 10 JEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)c2cccc(F)c2)CC1 1539744144 CWYCOTXTKRVWGX-HXUWFJFHSA-N 470.549 2.314 30 10 JEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2cccc(F)c2)CC1 1539983024 UTZNRVIELCMWKB-KRWDZBQOSA-N 450.584 2.316 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1540864881 OGTRQPOZAFCSIV-HNNXBMFYSA-N 482.507 2.337 30 10 JEEE C=CCSCCn1c(N2CCN(c3ncc(F)cn3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1540922231 ICBBFOIZHJEPGB-QFIPXVFZSA-N 477.610 2.494 30 10 JEEE CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(NC(C)=O)nc1 1548299445 GKXMDNDEEKZPJN-INIZCTEOSA-N 481.582 2.478 30 10 JEEE CCOC[C@@]12CCN(c3ccc(C#N)c(C(F)(F)F)c3)C[C@@H]1CN(C(=O)CCn1cnnn1)C2 1548366601 NJHHAGOMYXYCDJ-UTKZUKDTSA-N 477.491 2.345 30 10 JEEE Cn1cc(CCCn2c(COc3ccc(C#N)cc3)nnc2N2CCCC[C@@H](S(C)(=O)=O)C2)cn1 1554336579 GEQYHKJPKXAYDF-JOCHJYFZSA-N 497.625 2.499 30 10 JEEE C#Cc1cccc(CNC(=O)[C@@H]2CC(=O)N(c3ccc(S(=O)(=O)N(CC)CC)cc3)C2)c1 1585012217 UCAUQUQXVQICAP-HXUWFJFHSA-N 453.564 2.368 30 10 JEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C[C@H]1CN(CC)c2ccccc2O1 1587807281 AFIVQCSBGGSRFM-ROUUACIJSA-N 460.604 2.025 30 10 JEEE C#CCCCn1c(Cc2ccncc2)nnc1N1CCCN(Cc2nc([C@@H](C)OC)no2)CC1 1587869964 URYSPINBWQEEGI-LJQANCHMSA-N 464.574 2.480 30 10 JEEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CCOC)C(=O)C1 1587898183 JKXWXKKKLJAEPT-SFHVURJKSA-N 460.579 2.059 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cccc(CO)c1 1588140428 XHLOGTWWVPFOAZ-NRFANRHFSA-N 465.554 2.200 30 10 JEEE C#CCN(CC#CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H]1CCS(=O)(=O)C1 1588229175 RSJHRRBFXJULJM-LJQANCHMSA-N 489.642 2.290 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(OC)c2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1588595456 UZIJLVWMBYYOOE-UNMCSNQZSA-N 487.626 2.244 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@@H]2CCOC[C@H]2OC)CC1 1588780652 UWXUAVNEFTYQBX-LAUBAEHRSA-N 459.978 2.414 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H]2CCCO2)CC1 1588899854 YMMOSHUJLAFUOR-LJQANCHMSA-N 453.543 2.107 30 10 JEEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)Cc2cccc(OC)c2)CC1 1589068360 ASICIOHLHJRDSN-FQEVSTJZSA-N 469.611 2.048 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CC[C@H](CO)O1 1589215429 ADZLOEKJDIGBOU-IPRDPGLQSA-N 475.590 2.119 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1589547723 VJTDNWRRSDHALN-GHTZIAJQSA-N 453.591 2.278 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1cccs1)C[C@@H]1CCCO1 1593637145 YKHILNOOMPLSHI-HKUYNNGSSA-N 481.644 2.434 30 10 JEEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2c(F)cccc2F)CC1 1594733369 RUQIIVSQBMHVHB-INIZCTEOSA-N 479.553 2.387 30 10 JEEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCS[C@H](C)[C@@H]1C 1595490508 UMIXKIPVEQCJQX-JKSUJKDBSA-N 477.660 2.179 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1595576881 AKSYQJODGRURJC-QFIPXVFZSA-N 493.612 2.495 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1C[C@@H](C)[C@H](C)C1 1595766834 YNBCHCBDWOPFNK-HZPDHXFCSA-N 480.660 2.240 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCN(c3nc(C)cc(OCC)n3)CC2)nnc1C(C)(C)C 1595831140 LWVTXYKVXAJFOS-UHFFFAOYSA-N 477.635 2.000 30 10 JEEE CC1(C)CCCN(CCn2c(-c3cccc(C#N)c3)nnc2N2CCN(S(C)(=O)=O)CC2)C1 1611785011 DMZJQVADPQRWSV-UHFFFAOYSA-N 471.631 2.020 30 10 JEEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccc(N3CCN(C)CC3)cc2OCC)n1 1623159646 GBMMZOXMBHUMHT-UHFFFAOYSA-N 454.575 2.347 30 10 JEEE N#Cc1ccc(S(=O)(=O)NCC(=O)N(CCn2ccnc2)Cc2cccc(Cl)c2)cc1 1626440766 HJFBXVDOSFLAHM-UHFFFAOYSA-N 457.943 2.415 30 10 JEEE CCOC(=O)[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1)[C@@H](O)c1ccc(Cl)cc1 1641009939 DMGDXKFBRCBGHK-HBGVWJBISA-N 455.898 2.346 30 10 JEEE C=CC[C@@H](Cc1ccccc1)NC(=O)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 1681825345 UFUOFYJFWUYFAA-SFHVURJKSA-N 457.552 2.317 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CCC3)n2C[C@H]2CCCN2CCCO)c1 1689870612 UGTKDSGHSWJQFD-JOCHJYFZSA-N 450.587 2.449 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cn3nc(C)cc3C)n2C[C@@H](F)COC)c1 1689873648 QRKSWOKWAPAVIJ-LJQANCHMSA-N 453.522 2.180 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H](C)SC)[C@@H]1CCS(=O)(=O)C1 1689983599 DGBBWHRVSLYMJW-NVXWUHKLSA-N 464.613 2.341 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1nccc(C(F)F)n1 1690005980 GLAWYQCKGZJQBH-UHFFFAOYSA-N 456.478 2.197 30 10 JEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC([C@H](O)c2ccc(F)cc2)CC1 1690155463 KFNRNRHRZGTKOT-OXQOHEQNSA-N 495.646 2.344 30 10 JEEE C#CCSCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCO[C@@H](C(=O)NC)C1 1690159483 CAEIHGWLHSBEIX-QGZVFWFLSA-N 494.415 2.034 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1CCOc1ccc(S(C)(=O)=O)cc1 1690216918 ZJKIBOXTIHUFRG-NSXLHWASSA-N 488.610 2.477 30 10 JEEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(=O)c2ccccc2F)CC1 1690328127 FQZJEXQVZUKKNO-HNNXBMFYSA-N 484.985 2.132 30 10 JEEE C=C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCNS(=O)(=O)Cc2ccon2)CC1 1690365876 JRMKJKPYOBFSNB-UHFFFAOYSA-N 496.391 2.300 30 10 JEEE C=CCC(C)(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1690424784 ZUHWNDWQZPSALS-UHFFFAOYSA-N 492.632 2.170 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCO1 1690603527 CVVZZWCPAYPUFM-LEWJYISDSA-N 475.615 2.025 30 10 JEEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1690627649 OXCSFSNWMYGUIX-HXUWFJFHSA-N 458.010 2.264 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN(C)C(=O)OC(C)(C)C 1691003451 HDIYNLVBUUGSFZ-CVEARBPZSA-N 454.597 2.033 30 10 JEEE CC1(C)CN(CCn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H](CC(N)=O)C2)CCO1 1692870530 DOAZKFJUISWVQZ-LJQANCHMSA-N 451.575 2.019 30 10 JEEE CC[C@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CC1(C(N)=O)CCCC1 1694125050 CQDIANLYMGSPOY-IRXDYDNUSA-N 451.579 2.214 30 10 JEEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 1705516001 RRSQDJUXHUQIBH-CZTZKLFOSA-N 452.607 2.286 30 10 JEEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1705523501 ZDFMAWNUMZAUST-HBMCJLEFSA-N 458.607 2.388 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1Cc1cc(C)nn1C)[C@H]1CCS(=O)(=O)C1 1705560480 KZVZCBPVEUESME-HKUYNNGSSA-N 486.573 2.274 30 10 JEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CC(C)(C)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1705561790 UDWKROXFHFMMLT-HXUWFJFHSA-N 492.045 2.336 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccc(N2CCOCC2)nc1 1705607013 NJXNOBHCAVNCMS-UHFFFAOYSA-N 480.594 2.088 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2c(F)cccc2SC)CC1 1705647824 LWXZOEMGAVTRAJ-SFHVURJKSA-N 470.574 2.104 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC(=C)Cl)CC1 1705648118 OALHAMBFFJKCDD-SFHVURJKSA-N 493.008 2.305 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1705933821 SKXSEAFMPTZSCD-INIZCTEOSA-N 461.979 2.322 30 10 JEEE CC[C@@H](C)NC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCCO2)CC1 1708635958 AKIGMGWCONQWSB-OFNKIYASSA-N 495.628 2.335 30 10 JEEE CCOCc1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1CCCS(C)(=O)=O 1710731830 HTRKEBVXQCUNEM-UHFFFAOYSA-N 466.995 2.101 30 10 JEEE COc1ccc(C[C@@H](C)Cn2c(-c3cnn(C)c3)nnc2N2CCO[C@@H](C#N)C2)cc1OC 1711788754 CUJVPQNVJQYLSG-APWZRJJASA-N 451.531 2.303 30 10 JEEE C#CCN(c1nnc(-c2cc3ccccc3o2)n1CC(C)(C)C(=O)NC)[C@@H]1CCS(=O)(=O)C1 1722360264 SGJQDWSJEJQLOQ-QGZVFWFLSA-N 469.567 2.090 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1Cc1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1722363589 ANTSUMQMKXGUKT-IBGZPJMESA-N 457.531 2.288 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cc2c(cc1OC(F)F)OCO2 1722388103 VBCWPJDXRJCMAK-YWZLYKJASA-N 474.464 2.453 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccccc2N2CCCCC2)CC1 1722441439 QFDCLMFGVYRQEE-UHFFFAOYSA-N 491.640 2.421 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCS(=O)(=O)CC=C 1722468459 LUNDYEGAQZDWJV-JOCHJYFZSA-N 490.655 2.140 30 10 JEEE C=C1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2cccc(S(=O)(=O)NC)c2)CC1 1722568412 LAOOTZIZECOQJR-UHFFFAOYSA-N 455.588 2.253 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccn(C)n1 1722672851 AROZIGCACSQMCG-FQEVSTJZSA-N 454.600 2.392 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCn2cc(Br)cn2)C1 1722710216 FNGBVQAMQHUTGI-PXNSSMCTSA-N 481.395 2.371 30 10 JEEE CC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCCO[C@H](C)C2)CC1 1722823667 FMIRFIRQEOSGFV-LJQANCHMSA-N 465.602 2.423 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccccc1N1CCCCC1 1723933652 GMLQWVOEBBNFBA-VGSWGCGISA-N 475.594 2.369 30 10 JEEE CC[C@H](C)[C@](C)(O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@@](F)(C#N)C1 1726829682 GYYDAHCQNDMBGX-IWMITWMQSA-N 463.583 2.477 30 10 JEEE COCC(C)(C)CCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1730424097 GRWRRLXHHOOTKG-UHFFFAOYSA-N 468.606 2.462 30 10 JEEE N#Cc1cccc(-c2nnc(N3CCN(CC(F)(F)F)CC3)n2C[C@@H]2CCCS(=O)(=O)C2)c1 1731180222 FQUXLWNLEHZLDH-KRWDZBQOSA-N 482.532 2.326 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1740563988 YNTHXVHNDJBTAH-KSZLIROESA-N 480.635 2.090 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCN1CCOCC1 1740639620 WDIMUEKNIYMOCN-NRFANRHFSA-N 470.618 2.188 30 10 JEEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1740721479 KKOOJODPCCJJOX-OAQYLSRUSA-N 466.611 2.254 30 10 JEEE C=C(C)COCCn1c(Cc2c(F)cccc2F)nnc1N1CCc2nn(C)c(=O)cc2C1 1740791905 BCJUEVUKPFNZLI-UHFFFAOYSA-N 456.497 2.396 30 10 JEEE C=C1CCN(c2nnc(Cc3cn4ccccc4n3)n2CCCN(CC)S(C)(=O)=O)CC1 1740826975 DTONRNPNKNOEER-UHFFFAOYSA-N 457.604 2.345 30 10 JEEE C=CCCOCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN2C(=O)CC[C@H]2C1 1740890202 VOIGFQKQZNBACD-IBGZPJMESA-N 472.977 2.265 30 10 JEEE C=CCN(CCOC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H]1CCS(=O)(=O)C1 1740941925 WYEZGIIEGZOFQD-GOSISDBHSA-N 497.662 2.466 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC(N2CCCC2=O)CC1 1740963399 JSQMFYGXCLIAJK-UHFFFAOYSA-N 466.586 2.367 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2(S(C)(=O)=O)CCCC2)C1 1740983831 QPEZVYCLGURRDM-LJQANCHMSA-N 462.620 2.278 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](N2CCCCC2)C1 1740988838 QWPFOPYRZSACQG-OAQYLSRUSA-N 454.600 2.482 30 10 JEEE CCc1nc(CCn2c(-c3cccc(C#N)c3)nnc2N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)no1 1744463887 CXSKAYKSNAMRRC-GJZGRUSLSA-N 457.560 2.263 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(S(C)(=O)=O)CCCC1 1748651235 KARWHZPEFFAIAP-INIZCTEOSA-N 464.613 2.164 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1C[C@H](C)CNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1748817314 ISIBXTHSSJXNPD-MSOLQXFVSA-N 467.636 2.264 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCCO[C@@H]1C(C)C)[C@@H]1CCS(=O)(=O)C1 1748821139 MFIVHDUHLMOZRF-QZNHQXDQSA-N 488.658 2.218 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCOc1ccccc1C)[C@@H]1CCS(=O)(=O)C1 1748821469 QPIMKVDUIUOSQA-OAQYLSRUSA-N 482.610 2.154 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC(=O)NC1CCCCC1 1748960378 JIZHKIYQRIJHJQ-UHFFFAOYSA-N 491.596 2.210 30 10 JEEE C#CCN(CCOC)c1nnc(CC2CC2)n1C[C@@H]1C[C@@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1748965077 LYMONKQTSPDRLH-AABGKKOBSA-N 459.591 2.341 30 10 JEEE C#CCN1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2C[C@H](CCC)OC)CC1 1748977979 GWBIFNAKOAYIMB-IBGZPJMESA-N 473.647 2.117 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC[C@@](C)(O)c2ccccc2)CC1 1749003459 KONHFIHIGVPOJP-SXOMAYOGSA-N 495.624 2.194 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@@]2(O)CCCC2(C)C)CC1 1749017201 WXQYRURZARQVNK-VWLOTQADSA-N 450.587 2.171 30 10 JEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2OCC)CC1 1749034022 UQKHUNHIYMNXAL-GOSISDBHSA-N 454.600 2.321 30 10 JEEE C#CCSCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1749037168 BQRGEJJUWAQNDU-DEOSSOPVSA-N 488.658 2.475 30 10 JEEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2cc(C)no2)CC1 1749082560 BPKCVBVNIOOYOS-UHFFFAOYSA-N 464.368 2.041 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)OC 1749546842 FUCYPMUCPKLLTJ-IBGZPJMESA-N 481.594 2.368 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1749727582 XWXJPTGEUYQBKX-CQSZACIVSA-N 493.438 2.476 30 10 JEEE C=CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](OC)[C@H](OC)C1 1749755694 JZXPDGMRWJXKOF-OKZBNKHCSA-N 483.635 2.356 30 10 JEEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCOC[C@H]2C)CC1 1749898385 FMSAVMJSYNQONP-CTNGQTDRSA-N 454.575 2.170 30 10 JEEE C[C@](O)(Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@H](C#N)C1)c1ccco1 1751237031 BBYXMHXTNDVDEB-VGSWGCGISA-N 470.917 2.091 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(=O)NCCc1ccccc1 1760101362 OEXUINVGABLUIC-SFHVURJKSA-N 493.637 2.363 30 10 JEEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(CC(=O)NC)CC1 1760152782 ZCFVWRQLWLYLPE-UHFFFAOYSA-N 457.604 2.004 30 10 JEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc2c(c1)OCCO2 1760174556 GSUZVNFNWNFRRQ-SFHVURJKSA-N 469.542 2.475 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@H](OC)C(C)(C)C)CC1 1760254852 NBLWPFQXCLUIGH-OAQYLSRUSA-N 488.658 2.012 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCN(c2ccccc2OC)C1 1760288631 HOLWWVZCGRNQIA-XLNZFTOWSA-N 486.642 2.416 30 10 JEEE C=C(Br)Cn1c(N2CC[C@H](N3CCN(CC)CC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1760314119 JPEUCGGWCXWUKF-UGKGYDQZSA-N 497.482 2.444 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCc2ccccc21 1760505249 PHYVWYWEFXHRKD-IFMALSPDSA-N 489.642 2.370 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1760524799 JWGZEPGKOZVTPZ-HNNXBMFYSA-N 454.472 2.383 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(C)C(=O)[C@H]1C 1760548447 GVSSBUFTCHBPAY-CVEARBPZSA-N 482.006 2.339 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@H](C)[C@H]1C 1760553658 GAKYZDJFRNPLHV-JKSUJKDBSA-N 456.572 2.028 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@H](C)C1 1760553753 HUCKMDJGMBGPAQ-INIZCTEOSA-N 466.633 2.075 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCCN(C(C)(C)C)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1760557953 BEFXESXXXSNKIJ-HSZRJFAPSA-N 483.679 2.230 30 10 JEEE CCOCc1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1CCN1CCN(C(C)=O)CC1 1766251664 AQIRSWYTOQRQRR-UHFFFAOYSA-N 451.575 2.019 30 10 JEEE CCN(CC)[C@@H](C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@](F)(C#N)C1 1766586286 GLAMOXKUFDFQPG-HTAPYJJXSA-N 477.610 2.368 30 10 JEEE CN(C[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCOC2)C1)S(C)(=O)=O 1767224663 FKJJEDCNDIPQTG-VQTJNVASSA-N 472.615 2.351 30 10 JEEE COc1cc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2CCN2CCOCC2)cc(OC)c1OC 1862566957 HREUTOXESXYOMN-QFIPXVFZSA-N 497.548 2.205 30 10 JEEE C=CCOc1ccccc1[C@@H]1C(C(=O)NC[C@H](C)O)=C(N)Oc2c1c(C)nn2-c1ccccn1 1864318632 BENXCHPRZCDJGY-BTYIYWSLSA-N 461.522 2.332 30 10 JEEE C=CCOc1ccccc1[C@@H]1C(C(=O)N2CCN(C(C)=O)CC2)=C(N)Oc2c1c(CCC)nn2C 1865223694 CCQRUGLJPIBUFX-NRFANRHFSA-N 479.581 2.323 30 10 JEEE COc1ccc(-n2nnc(C#N)c2NC(=O)[C@@H](C(C)C)N2C(=O)c3ccccc3C2=O)cc1OC 1870143529 PZDBQIXVMPBEOB-HXUWFJFHSA-N 474.477 2.415 30 10 JEEE COc1ccc(OCCn2cc(OCc3ccc(C#N)cc3)c(=O)cc2CN(CCO)CCO)cc1 1870350374 CNSBYNONBBSGNT-UHFFFAOYSA-N 493.560 2.173 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)OCCCCC)cn1CCN1CCOCC1 1870420512 FPNDCBNUIZGWHD-UHFFFAOYSA-N 461.603 2.467 30 10 JEEE C=CCN(CC=C)c1nc(=NCCCN2CCCC2=O)[nH]c(=Nc2cc(OC)cc(OC)c2)[nH]1 1871686069 BUARALBONQXXEB-UHFFFAOYSA-N 467.574 2.079 30 10 JEEE C=CCn1c(C(=O)N2CCN(CC)CC2)cc2c(N3CCN(c4ccccn4)CC3)ncnc21 1873562788 SWNFUIKIOMFUIU-UHFFFAOYSA-N 460.586 2.117 30 10 JEEE COc1cc(OC)c(OC)cc1/C=N/n1c(COc2ccccc2)nnc1SCC(N)=O 1874383386 NNRYFQPIESVSCR-FOKLQQMPSA-N 457.512 2.343 30 10 JEEE CCN1CCN(CC#CCOC2CCN(C(=O)[C@@H]3CC(=O)N(c4ccc(Cl)cc4)C3)CC2)CC1 1889547287 DXMLMKUNPDBTFG-OAQYLSRUSA-N 487.044 2.341 30 10 JEEE N#Cc1ccnc(OCC2CCN(C(=O)C[C@@H]3CSc4nc5c(c(=O)n43)CCC5)CC2)c1 1891291051 KGOFVNHJXSLACS-QGZVFWFLSA-N 451.552 2.353 30 10 JEEE CN(C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CC[C@@H]1NC(=O)OCc1ccccc1 2247804894 NBFYGZULDMLBKU-ZWKOTPCHSA-N 454.336 2.238 30 10 JEEE CON(CCNC(=O)OC(C)(C)C)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2247985489 IJKVNTCTTFWRGX-UHFFFAOYSA-N 462.399 2.124 30 10 JEEE CC(C)(C)OC(=O)NCC1CN(S(=O)(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2255750548 LQBNSKOZUIPVMG-UHFFFAOYSA-N 452.382 2.131 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@H]1C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)s1 2256623189 PMFANVOKGGNNFZ-HUUCEWRRSA-N 452.382 2.203 30 10 JEEE CCON(CCNC(=O)OC(C)(C)C)C(=O)c1nn(CC)cc1B1OC(C)(C)C(C)(C)O1 2267147284 QLCJIAYZQVTBMY-UHFFFAOYSA-N 452.361 2.121 30 10 JEEE CC1(C)OB(c2cc(C(=O)NC[C@@]3(O)CCCN(Cc4ccccc4)C3)ns2)OC1(C)C 2267152107 NAESZUBJFYXMAI-QHCPKHFHSA-N 457.405 2.199 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1CN2S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2267715470 XWNDSPYYQQOFSL-DLBZAZTESA-N 464.393 2.368 30 10 JEEE CC1(C)OB(c2cnccc2C(=O)NCC[C@H]2CN(Cc3ccccc3)CCO2)OC1(C)C 2281807357 PNLNIMOHODXKNC-FQEVSTJZSA-N 451.376 2.402 30 10 JEEE CC(C)n1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N(CCO)CCNC(=O)OC(C)(C)C 2281817424 LVKCPUWZIAYLNY-UHFFFAOYSA-N 465.400 2.327 30 10 JEEE Cn1nc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C23CCC3)cc1B1OC(C)(C)C(C)(C)O1 2281962933 GEJOFZUJSGQODT-INIZCTEOSA-N 460.384 2.381 30 10 JEEE Cn1nc(C(=O)NCC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2281969525 MLBYGFLYFFRCIO-MRXNPFEDSA-N 462.400 2.486 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2occc2B2OC(C)(C)C(C)(C)O2)[C@]2(CCOC2)C1 2282034851 NNAXJQGVTDIGJX-NPMXOYFQSA-N 462.352 2.477 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)CC2(C)C)n1 2282046485 LRSVQRSFTSDMST-INIZCTEOSA-N 462.400 2.485 30 10 JEEE Cn1nc(C(=O)N2C[C@@H](F)C[C@H]2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2282047438 YIFLQIPXCQBUTP-STQMWFEESA-N 486.781 2.450 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC1(CNC(=O)OC(C)(C)C)CCC1 2282055530 FXPRNQRAUPCGTM-UHFFFAOYSA-N 462.400 2.453 30 10 JEEE CCCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H]1COC[C@H]1NC(=O)OC(C)(C)C 2282541136 TUIHJDMKAVTECI-IAGOWNOFSA-N 463.384 2.219 30 10 JEEE Cc1c(C(=O)N(C)C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282561726 UIMZPPYBBULMQR-INIZCTEOSA-N 462.400 2.357 30 10 JEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@]12CO[C@@H](C1)[C@@H](NC(=O)OC(C)(C)C)C2 2282561923 NBVQJPCGSKRJJQ-PBPSECFOSA-N 462.352 2.442 30 10 JEEE CN1CCN(C(=O)c2scc(B3OC(C)(C)C(C)(C)O3)c2Cl)[C@@H](CNC(=O)C(F)(F)F)C1 2282638020 HIBWCCAOLLIDEU-NSHDSACASA-N 495.760 2.135 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(C(=O)NC2(CCO)CN(C(=O)OC(C)(C)C)C2)c1 2282682050 JTRPIAYNDRGETO-UHFFFAOYSA-N 460.380 2.396 30 10 JEEE CC(C)(C)OC(=O)NC(C)(C)[C@H](O)C(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)ccc1F 2284010405 DMAJXJHKZMESPW-QGZVFWFLSA-N 466.359 2.405 30 10 JEEE CC1(C)C[C@H]1[C@](N)(C#N)Cn1cnc(I)c1I 2302248390 ATUITWBXPBTAEM-HQJQHLMTSA-N 456.069 2.359 30 10 JEEE CCN(CC)C(=O)CSc1nnc(C)n1N=Cc1ccc(OCCN2CCOCC2)c(OC)c1 2321068590 PSTCAQGOHHIDDA-UHFFFAOYSA-N 490.630 2.149 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](CN=c2cc(B3OC(C)(C)C(C)(C)O3)c(F)c[nH]2)CO1 2345712485 IVRLVERSZCMUCM-GJZGRUSLSA-N 451.348 2.284 30 10 JEEE CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@](C(=O)O)(N2CCN(Cc3ccccc3)[C@H](C#N)C2)C1 2346931402 PPJTXQYARNHEBM-YOSAUDMPSA-N 458.559 2.176 30 10 JEEE CN(C[C@H](O)COCc1ccccc1)C(=O)c1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1O 2364943778 RIHBCIVEIRXRSA-KRWDZBQOSA-N 459.323 2.480 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CC(NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)C[C@H](C2)C1 2365513408 AIQSKIKRXLMLPX-GJZGRUSLSA-N 460.384 2.474 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@H]2C[C@H](NC(=O)c3cnsc3B3OC(C)(C)C(C)(C)O3)C[C@@H]21 2369093102 RPRAITJJKNQGPR-VNQPRFMTSA-N 479.408 2.339 30 10 JEEE C=CCn1cc(C(=O)NCCN2CCCC2)c(=O)c2cc(S(=O)(=O)N(CC)CC)ccc21 9731229 XQPPQLQWRIBMNY-UHFFFAOYSA-N 460.600 2.044 30 10 JEEE N#C[C@H]1C(=O)Nc2nc(NCc3ccc4c(c3)OCCO4)[nH]c(=O)c2[C@H]1c1cc([N+](=O)[O-])ccc1F 72472538 FAFLTGXUXGUABA-KDOFPFPSSA-N 492.423 2.424 30 10 JEEE C=CCn1c(=NC(=O)c2ccccc2S(C)(=O)=O)sc2cc(S(C)(=O)=O)ccc21 254409948 BDUAQYDLWXGKFT-UHFFFAOYSA-N 450.563 2.437 30 10 JEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2csc3ccccc23)c(=O)n1C[C@H]1CCCO1 589759694 YQHURWMLHNNJFS-MRXNPFEDSA-N 451.573 2.109 30 10 JEEE COc1ccc(C=NNc2nc3nonc3nc2NN=Cc2ccc(OC)c(O)c2)cc1O 1081112856 ZKTKPYKJZLXWMW-UHFFFAOYSA-N 450.415 2.333 30 10 JEEE N#C[C@H]1CN(C(=O)c2ccc(-n3cc(Br)cn3)nn2)CCN1Cc1ccccc1 1126112099 CGAXMARXHXGAAK-KRWDZBQOSA-N 452.316 2.275 30 10 JEEE C#CCNC(=O)CN(Cc1ccccc1)[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)OCC 1176629703 RSTPGLSAIOSXPW-RTWAWAEBSA-N 457.571 2.427 30 10 JEEE C=CC[C@@H](CC)NC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 1196400799 XMQDUHHNWQZJCH-QGZVFWFLSA-N 452.577 2.020 30 10 JEEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1286318144 YGSCZQPLPZVHFZ-LJQANCHMSA-N 457.600 2.457 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCC(=O)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1286387757 HWCJKXFAKUZMSJ-GOSISDBHSA-N 491.017 2.023 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)nc2)n1CCc1ccc(S(N)(=O)=O)cc1 1286424761 JWYAIDCZJNUVGN-UHFFFAOYSA-N 468.970 2.347 30 10 JEEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ccc(OC)nc1OC 1286430933 LIEYHODKNACRSL-UHFFFAOYSA-N 486.580 2.376 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CC(C)(C)c2ccccn2)CC1 1286485193 XANVRQMUKJPAHQ-UHFFFAOYSA-N 463.611 2.398 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2nc(C)c(C)s2)CC1 1286486925 RNTHSAYRUIHESG-UHFFFAOYSA-N 471.631 2.284 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[C@@H](OCC)C2CCCC2)CC1 1286490439 KXQZOFXWPKWBET-NHCUHLMSSA-N 470.618 2.180 30 10 JEEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1286538311 OMFULTRLMDEMNF-HNNXBMFYSA-N 476.441 2.331 30 10 JEEE C=CC[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)NCC)CC1)c1ccccc1 1286679649 SBTOVXZVRDACJX-FGZHOGPDSA-N 452.603 2.400 30 10 JEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)c1ccc(F)cc1 1286727691 XPIPTZDIDYFMJR-GOSISDBHSA-N 451.568 2.350 30 10 JEEE C=CCN(CC=C)c1nnc(-c2noc3c2COCC3)n1CC1(NC(=O)OC(C)(C)C)COC1 1286755889 DOLDBUCPNQUKTF-UHFFFAOYSA-N 472.546 2.478 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCO[C@@H](CC)C1 1286813758 BFFKRONCPQDCAU-IBGZPJMESA-N 461.588 2.363 30 10 JEEE C#C[C@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1CCCN1CCN(c2ccncc2)CC1 1300320262 FLNVYZBUBLJPHK-NRFANRHFSA-N 461.618 2.205 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cc(Br)c[nH]3)n2CC(=O)N(C)C)c1 1300332122 XMDCUSHGMPAWFH-UHFFFAOYSA-N 484.358 2.180 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1ccc(NC(=O)N(C)C)cc1)[C@H]1CCS(=O)(=O)C1 1300488565 SRGQZXGNMQWBHB-IBGZPJMESA-N 481.582 2.042 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1cccc(COC)c1)[C@@H]1CCS(=O)(=O)C1 1300498881 NSLVAUJTCXEWSM-JOCHJYFZSA-N 465.579 2.085 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCCc2c[nH]nc2C)CC1 1300681844 CWPWWIKPSJBAKL-UHFFFAOYSA-N 481.004 2.281 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C3(c4ccccc4)CCC3)n2C[C@@H](COC)OC)CC1 1300715698 BUVVGAOAILLBEH-QFIPXVFZSA-N 465.598 2.375 30 10 JEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1sc(C)nc1C)C1CC1 1301327767 WUKRPFMREPXECV-QGZVFWFLSA-N 466.633 2.082 30 10 JEEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC(Nc2cccnn2)CC1 1301503167 UYDXNLKIUFSBCN-UHFFFAOYSA-N 468.512 2.320 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCC(N2CCCCC2=O)CC1 1301576583 FNPBKTLJNXAUNZ-UHFFFAOYSA-N 461.588 2.429 30 10 JEEE CC(=O)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCCN2CCC[C@H]2CO)CC1 1301695856 GSFCBQRWSHXGIL-QHCPKHFHSA-N 465.602 2.112 30 10 JEEE CC(C)OC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCOC2=O)CCO1 1303530841 HYWWPCIPOHEAJC-HXUWFJFHSA-N 454.531 2.289 30 10 JEEE COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCC(Oc2cccc(C#N)c2)CC1 1309165961 AKTWAGHYLMQICT-UHFFFAOYSA-N 450.538 2.202 30 10 JEEE CCN1CCN([C@@H](C)Cn2c(CNC(=O)c3cccs3)nnc2N2CCC[C@@](C)(C#N)C2)CC1 1313926222 BSNPMDKOEOCYNR-CYFREDJKSA-N 484.674 2.426 30 10 JEEE CN(Cc1ccc(C#N)cc1)c1nnc(Cc2ccccn2)n1CCS(=O)(=O)N1CCSCC1 1314728893 HFUAOZDMNFQCNW-UHFFFAOYSA-N 497.650 2.151 30 10 JEEE CNC(=O)CC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCOC[C@H]2OC)CC1 1315023290 CEGXHNTUTAAJKH-IFMALSPDSA-N 482.585 2.133 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CCC(=O)NC2CCCCC2)c1 1358902002 CHNWMGFYBYMVOG-OAQYLSRUSA-N 491.596 2.124 30 10 JEEE C#CCN(c1nnc(-c2cnn(-c3ccccc3)c2)n1CCN(CC)C(C)C)[C@H]1CCS(=O)(=O)C1 1358960381 CXIGIFSXEYEKLQ-QHCPKHFHSA-N 495.653 2.488 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@@]1(O)CCO[C@@H]1C 1359021573 TZCXHLPEEVOJNI-VFNWGFHPSA-N 479.375 2.342 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCSC1(C)C 1359070829 WGJUERGOKFRIKA-CBGDNZLLSA-N 467.661 2.135 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@](C)(O)CCOC 1359072773 QGBLOGYFMONQNI-KAYWLYCHSA-N 480.657 2.422 30 10 JEEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1359077658 IGULCYKLONSFQW-CABCVRRESA-N 465.414 2.314 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc(-c2cnccn2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1359274959 GJMAVQICHUPHGU-HXUWFJFHSA-N 467.599 2.252 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC(CC#N)CC1 1359294412 SMOCNPGHJUQZHE-UHFFFAOYSA-N 454.531 2.403 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3Br)n2CCCNS(C)(=O)=O)C1 1359317826 RBRGWNDANKQBMR-HNNXBMFYSA-N 484.420 2.428 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2(CC)CCCC2)C1 1359321838 MFGGXRYZSADACE-RBUKOAKNSA-N 467.636 2.363 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CC[C@](O)(Cc2cccc(Cl)c2)C1 1359332793 HDVPSFOVXDHCSP-AVRDEDQJSA-N 481.018 2.220 30 10 JEEE CC(=O)N1CCC(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(S(C)(=O)=O)CC2)CC1 1359364815 DMVGNPRVRCHORJ-UHFFFAOYSA-N 470.599 2.089 30 10 JEEE CC(=O)NC[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@](C)(O)C(C)C)C1 1359438550 COIIASLBPBIZLP-GBXCKJPGSA-N 454.575 2.488 30 10 JEEE C[C@H](C#N)CN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@]1(O)CCS(=O)(=O)C1 1359469553 HCYCIYJDJPMHDS-KZULUSFZSA-N 458.371 2.397 30 10 JEEE COCC[C@](C)(O)Cn1c(COc2ccccc2F)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1504761302 FQHFUPRXFJZOIE-VWLOTQADSA-N 495.559 2.377 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2CC2(O)CCN(C(C)C)CC2)c1 1507551829 HVENWEPSUWVWGD-UHFFFAOYSA-N 468.602 2.106 30 10 JEEE C#CCN(CC#CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC(=O)NCC1CC1 1507668756 CGUUEWIKCRAQMC-UHFFFAOYSA-N 468.602 2.382 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCCO2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1507669699 PRVFPVHGQIGBMW-IBGZPJMESA-N 452.559 2.237 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H](C(=O)OC)C1 1507803687 CLYYKCUYMOHFFA-BXWFABGCSA-N 459.572 2.250 30 10 JEEE C=C(C)COCCn1c(-c2cn(C)c3ccccc23)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1507842881 NQPHMXKAJAHAFT-DYESRHJHSA-N 453.543 2.390 30 10 JEEE C=C(Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@@H](C)C1)c1ccccc1 1507851178 HIXUDHXIQWLHQP-PKOBYXMFSA-N 463.629 2.266 30 10 JEEE C=CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1508161354 KYCWOYOPCCSDBS-SFHVURJKSA-N 470.647 2.428 30 10 JEEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CCC(=O)N1CCCCC1 1510111014 GHWAIKKMXIIXAK-QGZVFWFLSA-N 458.588 2.089 30 10 JEEE CC[C@@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1513168937 FVAOSIRADGZTIM-WIYYLYMNSA-N 462.558 2.223 30 10 JEEE COCC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1518957430 DLNRLZFCNDAWHZ-SANMLTNESA-N 492.628 2.277 30 10 JEEE C#CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C(N)=O)CC1 1539071446 UCMCYFZURMOHFD-SFHVURJKSA-N 460.579 2.092 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCCOC1CCCC1)[C@H]1CCS(=O)(=O)C1 1539220536 KJVHSPRGPMZABJ-ICSRJNTNSA-N 450.605 2.496 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2Cc2cc(C)no2)CC1 1539467571 VLVICKOHRMCOKL-UHFFFAOYSA-N 495.971 2.172 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2cc(Cl)ccc2OC)CC1 1539477500 OSWRLGCRUMRKFL-UHFFFAOYSA-N 467.961 2.355 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2Cc2ccc(OC)c(OC)c2)CC1 1539484556 UCQYRQXOUNFCBQ-UHFFFAOYSA-N 474.565 2.295 30 10 JEEE C=C(Cl)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1539813164 VZHITNYQBSPIED-CRAIPNDOSA-N 492.049 2.011 30 10 JEEE C=CCCCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1539968440 UUMKFPFRMWETNS-UHFFFAOYSA-N 472.540 2.431 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1CCS(=O)(=O)CC1 1540137148 PZBLBURDSCYFSW-IBGZPJMESA-N 496.630 2.337 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CCN(c2ncccc2C#N)CC1 1540875759 XDMKJQNKQGTMKL-UHFFFAOYSA-N 486.580 2.315 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@H](C)C1 1540881080 XYECXGPLUNAEEX-XLIONFOSSA-N 493.655 2.166 30 10 JEEE Cc1nc(C[C@H]2CCCN(c3nnc(-c4cccc(C#N)c4)n3CCS(C)(=O)=O)C2)no1 1542932784 APJQYMHCXIACIO-QGZVFWFLSA-N 455.544 2.012 30 10 JEEE C=CCNC(=O)CNC(=O)c1cc(S(=O)(=O)N(C)c2ccccc2OC)ccc1Cl 1546179589 QLOKLOPCZVDFPA-UHFFFAOYSA-N 451.932 2.206 30 10 JEEE CC(=O)NCC(=O)N1CCC2(CC1)C[C@H](C(=O)NC1CC1)N(c1ccc(C#N)c(C(F)(F)F)c1)C2 1548382066 XEKNHXXQADUPSJ-HXUWFJFHSA-N 491.514 2.179 30 10 JEEE C#CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1587701556 GNAQYVGNWKETGV-HXUWFJFHSA-N 472.615 2.469 30 10 JEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1nc(O)c2ccccc2n1 1587766867 ZUJSEUGMVDZIEL-INIZCTEOSA-N 454.556 2.269 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCN(C(C)C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1588055026 RRSULQULRLUVPT-NHCUHLMSSA-N 465.664 2.308 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2cscc2C)CC1 1588969275 ZNDPCFQUWRZIKX-ICSRJNTNSA-N 457.600 2.386 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1589731737 UWSHAGMBBCDFRN-CVEARBPZSA-N 469.633 2.029 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1ccccc1Cl 1595303159 MJDWKLXROCDXHN-IIBYNOLFSA-N 469.007 2.380 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCCN(CCC)C(=O)C1 1595776628 CCIGSRPRTNMZHP-UHFFFAOYSA-N 461.588 2.003 30 10 JEEE C#CCN(C)c1ccc(S(=O)(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1[N+](=O)[O-] 1612353206 GXZSOVCSLVFMJS-UHFFFAOYSA-N 455.496 2.263 30 10 JEEE CN(C)C(=O)[C@H]1CCCN1CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C#N)CC1 1617575082 DUZHJPKOGXZDFY-HSZRJFAPSA-N 490.612 2.411 30 10 JEEE C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)NCc2ccc(N(C)S(C)(=O)=O)cc2)cc1 1676356083 CEDQRRACDWWKAZ-AWEZNQCLSA-N 450.542 2.090 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2CCC(=O)NC(C)C)c1 1689872166 QDYHPURZPOFMJR-IBGZPJMESA-N 452.559 2.143 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H]1OCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1689983573 DBBYMAKJZYGHAE-WIYYLYMNSA-N 488.610 2.404 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1Cc1nc(C(C)(C)C)cs1)[C@H]1CCS(=O)(=O)C1 1689988003 HKARGFUSHMWLCO-HNNXBMFYSA-N 471.612 2.164 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1Cc1cccc(C(F)F)c1)[C@@H]1CCS(=O)(=O)C1 1689988656 TUFNVEACTIGSIO-QGZVFWFLSA-N 458.494 2.348 30 10 JEEE C#CCN(c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@](C)(O)CCC)[C@H]1CCS(=O)(=O)C1 1689988754 VVMPVBHRLXOQCM-URXFXBBRSA-N 482.610 2.309 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCc1ccc(SC)cc1)[C@H]1CCS(=O)(=O)C1 1689989429 FNIAZZBRTFADRM-MOPGFXCFSA-N 460.625 2.373 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@H]1CCCOC1)[C@@H]1CCS(=O)(=O)C1 1689996924 RHMXHYFILQODCH-QZTJIDSGSA-N 462.547 2.050 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)CC1 1690136684 IFODYUNBYADEOW-FXAWDEMLSA-N 468.577 2.241 30 10 JEEE C#CCSCCn1c(Cc2ccccc2C)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1690177351 RTONZMXEFCHPGJ-NRFANRHFSA-N 466.611 2.310 30 10 JEEE C#CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC(CC(=O)NC)CC1 1690178520 AVRVUZPTAXGMKI-UHFFFAOYSA-N 451.600 2.236 30 10 JEEE C=CCC(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1690437586 IVKRKVFKSRDWNB-INIZCTEOSA-N 497.629 2.404 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 1690666920 KWPCFEGWKIOBQJ-UHFFFAOYSA-N 479.629 2.064 30 10 JEEE CCn1nc(-c2nnc(N(C)C[C@@H](C)C#N)n2CCS(=O)(=O)C(C)(C)C)c2ccccc2c1=O 1695899361 CEBVSVHVSCPRNZ-INIZCTEOSA-N 485.614 2.484 30 10 JEEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)Cc2cccc(OC)c2)CC1 1705508402 UURNIGMALCWOQS-UHFFFAOYSA-N 478.597 2.218 30 10 JEEE C#CCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1705521052 PAPJNHCGKIFCTN-UHFFFAOYSA-N 458.526 2.119 30 10 JEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cccc(C(=O)NCC)c1 1705552058 VFKQFZKAMYUCNX-HXUWFJFHSA-N 482.585 2.454 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1Cc1nnc(C)s1)[C@H]1CCS(=O)(=O)C1 1705563089 QPGLYCZOXBYWTN-INIZCTEOSA-N 462.988 2.433 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCCN1CCCCCC1=O)[C@H]1CCS(=O)(=O)C1 1705565410 HKJKKPJRKQYMGB-FQEVSTJZSA-N 484.626 2.068 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CCNC(=O)C2CC2)CC1 1705643025 QBHZCSGMYCAXEU-UHFFFAOYSA-N 477.396 2.445 30 10 JEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC(S(=O)(=O)c2ccccc2)CC1 1705652477 ASTOSAVAKGOCPB-UHFFFAOYSA-N 487.651 2.323 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC=C(c2ccc(O)cc2)CC1 1705725522 FYLKBHZRGUYZKI-HXUWFJFHSA-N 459.572 2.186 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1705786369 MICYMSNCQBFHLN-IERDGZPVSA-N 455.625 2.265 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(OC)CCC(C)CC1 1705875921 KDASRBYCGIVMHX-GSVIPDFHSA-N 467.636 2.385 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1705936261 MRVDZORURYPTMW-GOSISDBHSA-N 488.589 2.110 30 10 JEEE Cc1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(CC(C)C)C(=O)C2)c(=O)n1C 1707494767 BARJPALZIWDDCN-UHFFFAOYSA-N 459.554 2.177 30 10 JEEE COc1cc(OC)cc(-c2nnc(N(CCC#N)CC3CC3)n2CC2(O)CCS(=O)(=O)CC2)c1 1711694188 BZLFHBVIFOAXJR-UHFFFAOYSA-N 489.598 2.032 30 10 JEEE CO[C@@H]1COCC[C@H]1Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)C[C@H](C)C#N 1712097503 BWXSEGZSEBGSLL-YZGWKJHDSA-N 454.579 2.099 30 10 JEEE COC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC2CCOCC2)CC1)OC 1712152220 AUAXDWYWITXBQD-QFIPXVFZSA-N 454.575 2.027 30 10 JEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCNC(=O)c1occc1C 1722355582 YUWSSXCNXWWOJS-GOSISDBHSA-N 486.573 2.377 30 10 JEEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cc(F)ccc1N1CCOCC1 1722374295 SYXPCVOYDCKFLH-SANMLTNESA-N 481.572 2.416 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CCCS(=O)(=O)Cc2ccccc2)CC1 1722439687 LTRUKZJDYXDRDJ-UHFFFAOYSA-N 478.622 2.024 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCc2cccc(C)n2)CC1 1722444315 WMKVMCMFACXBEW-SANMLTNESA-N 480.613 2.231 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCSCC#C)CC1 1722446053 LHCJEGZSPSNFGS-UHFFFAOYSA-N 473.606 2.463 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCCO2)n1C[C@@]1(O)CCS(=O)(=O)C1 1722660103 LTOHVSIAATWRLB-KNQAVFIVSA-N 464.563 2.401 30 10 JEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 1722685290 CDTSGKSIJZVXEO-PKOBYXMFSA-N 477.562 2.035 30 10 JEEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 1722686039 OXNHIYUTJUMTGY-CABCVRRESA-N 464.979 2.270 30 10 JEEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1722700113 XEBAFLJFJVHWSW-INIZCTEOSA-N 455.513 2.252 30 10 JEEE C=CCOc1ccccc1Cn1c(-c2cnccn2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1722707278 LAVQSSBCGYVSPW-SFHVURJKSA-N 454.556 2.362 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](C(C)C)N2CCCC2)C1 1722718264 HZYHJPRZXJDIGW-ZCNNSNEGSA-N 451.637 2.082 30 10 JEEE CC(C)CO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)C1 1723489114 CNJOFZDCCHIVLT-HXUWFJFHSA-N 458.588 2.104 30 10 JEEE Cc1cc(CN2CCN(c3nnc(COc4ccc(C#N)cc4)n3C[C@@H](C)N(C)C)CC2)on1 1726443973 BBUGZLOIXSYGDL-LJQANCHMSA-N 464.574 2.298 30 10 JEEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)SC)CC1=O 1730798851 GKTKYRHPUBLRHH-UHFFFAOYSA-N 458.588 2.165 30 10 JEEE CO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](N2CCOCC2)C(F)(F)F)C1 1730977103 FEZCGQIDJQOXGI-MOPGFXCFSA-N 480.491 2.217 30 10 JEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(N2CCCC2=O)CC1 1740583140 VSGLLSLMADCQKV-UHFFFAOYSA-N 455.584 2.353 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H]1CCC[C@H]1OC)[C@@H]1CCS(=O)(=O)C1 1740620747 RFPXWGIWKQEAFE-WAOWUJCRSA-N 488.610 2.404 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCNC(=O)c1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 1740623638 YEAFGNRTGGUUTI-OAQYLSRUSA-N 492.605 2.014 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H]2CCN(CC(F)(F)F)C2)CC1 1740706286 RNGSTFAFFUKVTB-HKUYNNGSSA-N 482.551 2.022 30 10 JEEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1740713733 PMGJGUWHKRGZBM-KRWDZBQOSA-N 464.613 2.342 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2cc(OCC(C)(C)F)ccc2C1 1740957993 GMFGDJZOMJGZJY-IBGZPJMESA-N 470.549 2.221 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(CC#N)CC1 1740960145 LVOZSKPQVXXSMV-SFHVURJKSA-N 473.578 2.019 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2CCCN(C(C)=O)C2)C1 1740973785 DLAZTXVEJFUXLW-FPOVZHCZSA-N 487.626 2.388 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCN(C(=O)OC)CC1 1740987838 ZADJYLXVEXHDIM-UHFFFAOYSA-N 484.582 2.291 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCN(C(=O)c2ccco2)CC1 1740989877 ZSBIWPAITASUPJ-UHFFFAOYSA-N 455.540 2.101 30 10 JEEE CC(C)NS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCSC2(CCOCC2)C1 1741710259 AYOOQWMUXRBJTQ-UHFFFAOYSA-N 490.655 2.247 30 10 JEEE CC[C@H](C)NC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCCC2)CC1 1743910168 HFROSINHPYEJIL-FQEVSTJZSA-N 495.628 2.071 30 10 JEEE CCN(C)C(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1745892732 DGYVEUQMDFXRNY-UHFFFAOYSA-N 462.533 2.080 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCN(C)C1CCCC1)[C@H]1CCS(=O)(=O)C1 1748810055 RRYDNNXOZQPNBC-NRFANRHFSA-N 471.627 2.455 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CC1(C(=O)N(C)C)CCCC1)[C@H]1CCS(=O)(=O)C1 1748810673 ZIYSLNDVQCDYFA-FQEVSTJZSA-N 499.637 2.229 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H](c1ccc(F)cc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1748824756 SPPZUCTUQALROD-PWRODBHTSA-N 475.590 2.198 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1CCN(C(=O)OC)CC1 1748951246 VSSRNFGKXNOENT-UHFFFAOYSA-N 456.503 2.418 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(CC)cc3)n2CCNC(=O)C(C)C)CC1 1749006022 GCXNMONRWAQKRL-UHFFFAOYSA-N 450.587 2.246 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccc1N1CCCC1 1749193276 DULPEYHMNIYIBI-NRFANRHFSA-N 474.631 2.424 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H]1COc2ccccc2O1 1749229283 IRBFHKUTQBQPIT-MSOLQXFVSA-N 462.572 2.049 30 10 JEEE C=C(Cl)Cn1c(N2CCN(CC(=O)N3CCCCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1749283754 AZONIVIOVLNXNY-HSZRJFAPSA-N 481.041 2.206 30 10 JEEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@@H](C(C)C)C1 1749652854 UWDCIGRTOWCBEA-QGZVFWFLSA-N 459.620 2.331 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCC(C#N)CC1 1749666021 DRIWPENXCZXMMK-UHFFFAOYSA-N 460.542 2.278 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC(NC(=O)C2CC2)CC1 1749678049 UBEIYRCATKPWKK-UHFFFAOYSA-N 466.586 2.271 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN([C@@H](C)c2nccs2)CC1 1749729141 BUUOTPHLEOSWBP-KRWDZBQOSA-N 473.628 2.281 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2cccc(Cl)c2)C1 1749732413 WJDKRAFZQWHTGM-MSOLQXFVSA-N 479.990 2.061 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN(C)CC(F)(F)F 1751092890 FOUIHMQHNRIFNZ-AWEZNQCLSA-N 472.541 2.471 30 10 JEEE C[C@@H](CN(C)c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)N(C)C)c1nccs1 1751117950 CQOAFAVNAIUSQM-HNNXBMFYSA-N 459.601 2.405 30 10 JEEE CC(C)[C@@](C)(O)Cn1c(Cc2ccncc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1752280252 DAYGOWPYQBOHJB-KOSHJBKYSA-N 461.574 2.048 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@](C)(OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1760182679 IHEMARJFPRPSCJ-DVECYGJZSA-N 488.610 2.404 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Cl)n1C[C@@](C)(O)CCOC)[C@@H]1CCS(=O)(=O)C1 1760185017 NSZUOORBMLPJCV-IERDGZPVSA-N 466.991 2.013 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H](c1ccc(F)cc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1760186346 BSZBUYITXUEPMC-CEMLEFRQSA-N 489.617 2.241 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1CCC1CCN(CC)CC1)[C@@H]1CCS(=O)(=O)C1 1760187214 CCGAWRZQNAQEDY-HXUWFJFHSA-N 458.632 2.032 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCS(=O)(=O)CC 1760216117 AXJGPBQBWUDNJY-UHFFFAOYSA-N 480.594 2.134 30 10 JEEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCN1CCCO[C@@H](C)C1 1760218533 IUWFYPOJNFDRDC-QHCPKHFHSA-N 490.656 2.416 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1C[C@@H](C)C[C@H](C)C1 1760218923 QEVRFPSHMZZLSZ-PCCBWWKXSA-N 459.660 2.400 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 1760272527 NIKMRMXIZNGBPR-UHFFFAOYSA-N 493.568 2.393 30 10 JEEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1760275770 IHLQQTCUGHHOMB-QFIPXVFZSA-N 483.554 2.034 30 10 JEEE C#CCSCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1760280062 HOHNRRZSUXYHGA-MSOLQXFVSA-N 490.630 2.400 30 10 JEEE C#CCSCCn1c(N2CCN(C3CCCCC3)C(=O)C2)nnc1[C@]1(OCC)CCOC1 1760286894 YRFGTJWKFBHLDV-QHCPKHFHSA-N 461.632 2.278 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1760314627 YKBOYZRMCATUAJ-QSAZIKIQSA-N 460.579 2.209 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccsc2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1760325719 RXGMEIXWCHSUPR-NSHGMRRFSA-N 465.645 2.430 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)CCS(=O)(=O)CC 1760336033 ULAWJYYENSABRM-UZLBHIALSA-N 486.598 2.446 30 10 JEEE C=C(C)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1760342161 XSDNABMTNZFSDN-CVEARBPZSA-N 468.649 2.381 30 10 JEEE C=C(C)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1760343721 OOJWZBXFSIAJHU-UHFFFAOYSA-N 498.628 2.298 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1760412618 OSOQIFLFSDTBIL-HXUWFJFHSA-N 475.663 2.228 30 10 JEEE C=CC[C@@H](Cn1c(CC(C)C)nnc1N1CCN(C(=O)Cn2cnnn2)CC1)c1ccccc1 1760419981 HCCUVNWZRGDPDH-NRFANRHFSA-N 463.590 2.172 30 10 JEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H]1CCCO[C@H]1c1ccccc1 1760510198 KOPUIWIQFBXYDT-HKBOAZHASA-N 475.615 2.401 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1760517110 COCWWSQYQFPWAR-HUUCEWRRSA-N 480.294 2.263 30 10 JEEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1760526872 IMWKZSCMKQZEES-OAQYLSRUSA-N 450.587 2.347 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCOc2ccc(Cl)cn2)C1 1760544397 ZAVUXEKSVGCBKM-DOTOQJQBSA-N 467.979 2.089 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C2CC2)O[C@H](C)C1 1760557227 DYFCSZPBDRDTFO-DYESRHJHSA-N 471.583 2.333 30 10 JEEE CC(C)C[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NC2CC2)CC1)N(C)C 1760979749 CCGUQXLTYFCRHX-QHCPKHFHSA-N 478.645 2.194 30 10 JEEE CCCS(=O)(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2nccnc2C)CC1 1764648225 HTELIFHTCAFREQ-UHFFFAOYSA-N 494.625 2.456 30 10 JEEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1768633150 CXOPOSRBQZZZRQ-QZTJIDSGSA-N 477.491 2.000 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@H]2c2ccc(O)c([N+](=O)[O-])c2)cc1F 1862643686 SMQYBZLMNNBAPH-IBGZPJMESA-N 473.413 2.163 30 10 JEEE C[C@H](NC(=O)C[C@H](c1cccc(Br)c1)c1nn[nH]n1)C(=O)Nc1ccccc1C#N 1867246769 JTKGHOOXUARLOA-BLLLJJGKSA-N 468.315 2.499 30 10 JEEE CCN(CC)CCNC(=O)c1ccc(-n2nnc(C#N)c2NC(=O)c2cccc(OC)c2)cc1 1870140018 VZBJKPPSSFIAKH-UHFFFAOYSA-N 461.526 2.471 30 10 JEEE Cc1cc(-n2nnc(C#N)c2NC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)ccc1Cl 1870155498 PXLYYGRJASCRKY-UHFFFAOYSA-N 465.813 2.244 30 10 JEEE C=CCn1cc(OCC(=O)Nc2cc(OC)c(Cl)cc2OC)c(=O)cc1CN1CCN(C)CC1 1870429421 ZBVNMPLKGISQFL-UHFFFAOYSA-N 490.988 2.470 30 10 JEEE CN1CCN(CC#CCOC2CCN(C(=O)Cc3ccc(Br)c(F)c3)CC2)CC1 1889407034 PBHXYQFLIJERJL-UHFFFAOYSA-N 466.395 2.389 30 10 JEEE COc1ccc([C@@H]2[C@@H](C(=O)N3CCC[C@@H](Oc4nccnc4C#N)C3)OCC(=O)N2C(C)C)cc1 1891565398 QLAVETXRNFDBFN-PTUXOGIPSA-N 479.537 2.104 30 10 JEEE COCCCn1c(C(=O)N2CCC[C@H](Oc3nccnc3C#N)C2)cc2c(=O)n3ccccc3nc21 1891771774 LVMLMZXETUQOGR-KRWDZBQOSA-N 487.520 2.031 30 10 JEEE Cn1cc(C(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)nc1CNC(=O)OC(C)(C)C 2206632380 XAHSHWAKIZCELR-UHFFFAOYSA-N 457.340 2.391 30 10 JEEE Cc1c(C(=O)N[C@H]2CC[C@@H]2NC(=O)OCc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2255665820 KREZGNGCELMXAH-ROUUACIJSA-N 468.363 2.215 30 10 JEEE CO[C@H]1CN(C(=O)c2csc(B3OC(C)(C)C(C)(C)O3)c2)C[C@@H]1NC(=O)OC(C)(C)C 2255844704 ASKHSUCSEWIYBT-GJZGRUSLSA-N 452.382 2.411 30 10 JEEE CO[C@H](CNC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1nscc1B1OC(C)(C)C(C)(C)O1 2256623138 BDOYREQXNQBFNZ-GXTWGEPZSA-N 455.386 2.159 30 10 JEEE CC1(C)OB(c2cnccc2C(=O)N[C@H]2COCCN(C(=O)OCc3ccccc3)C2)OC1(C)C 2267480142 VLIKAPXKWVOPAN-LJQANCHMSA-N 481.358 2.148 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)ccc1F 2268653631 PPROFQSUGUEZNG-GUYCJALGSA-N 452.332 2.015 30 10 JEEE C[C@@H](NC(=O)[C@]1(NC(=O)OC(C)(C)C)C[C@@H](O)C1)c1nscc1B1OC(C)(C)C(C)(C)O1 2268705350 HNKDNLUQUJNPJX-ZNLKAECVSA-N 467.397 2.038 30 10 JEEE Cc1c(C(=O)N2CCN(C(=O)OC(C)(C)C)CC[C@@H]2C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281808596 WLIMBFBSRIDIFM-HNNXBMFYSA-N 462.400 2.499 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H](NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)CC[C@H]2C1 2281978884 JYRZWNQDZQYWPD-ARFHVFGLSA-N 460.384 2.474 30 10 JEEE CC(C)[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2282029658 VMSCKTZSGZVRQA-KRWDZBQOSA-N 460.384 2.493 30 10 JEEE Cn1cc(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 2282034411 HVJXWKJARKDUQH-HZPDHXFCSA-N 460.384 2.048 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2N(C(=O)OC(C)(C)C)CCC2(C)C)n1 2282046521 MLRQUUXXKBQHMK-MRXNPFEDSA-N 462.400 2.485 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC[C@]1(C)CCCN1Cc1ccccc1 2282330623 BUILTNQYMMXNFM-QHCPKHFHSA-N 474.436 2.052 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@H](NS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CC1 2282353901 ZHASIUFYBCHHBQ-KRWDZBQOSA-N 481.424 2.449 30 10 JEEE COc1ccc(S(=O)(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2282510584 APBQZPVDUPHDHA-HNNXBMFYSA-N 482.408 2.282 30 10 JEEE Cn1cc(C(=O)N2CC[C@@H]3CCN(C(=O)OC(C)(C)C)[C@H]3C2)nc1B1OC(C)(C)C(C)(C)O1 2282550553 AKSZXXPKCBDOFH-WBVHZDCISA-N 460.384 2.191 30 10 JEEE Cc1nn(C)c(C(=O)NC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2282585666 OHJUVSSQSPODJT-INIZCTEOSA-N 462.400 2.405 30 10 JEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCCCC[C@H](NC(=O)OC(C)(C)C)C2)n1 2282621601 USNAIKLMPQXISS-HNNXBMFYSA-N 463.388 2.024 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](NC(=O)c3ncc(B4OC(C)(C)C(C)(C)O4)cn3)C[C@H]1C2 2282625623 XUMRHIVRMICSOL-USXIJHARSA-N 458.368 2.294 30 10 JEEE C[C@H]1[C@@H](NC(=O)C(F)(F)F)[C@H](C)CCN1C(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282671590 XFRFLFIDSODCFQ-WWGRRREGSA-N 455.286 2.298 30 10 JEEE CC[C@H](CN(CC)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)NC(=O)OC(C)(C)C 2282859382 LSOAVLCQYHDRBM-OAHLLOKOSA-N 486.444 2.033 30 10 JEEE CO[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2284040378 LBGHGSZOURZIEB-HUUCEWRRSA-N 481.424 2.331 30 10 JEEE CO[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)C1 2284047445 FXVSHYQRPIOSKL-GOEBONIOSA-N 481.424 2.473 30 10 JEEE CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1)C(=O)O 2289796299 LYDYICZVSHTKJP-ZDUSSCGKSA-N 483.396 2.320 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C1CC1 2362346465 SDVTVQFHUOHHQY-HZPDHXFCSA-N 460.384 2.237 30 10 JEEE CC(C)(C)OC(=O)N1CC2(CC[C@@H](NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)c[nH]3)CO2)C1 2362414269 DDMJSSFCLNIWAW-MRXNPFEDSA-N 461.368 2.212 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CS(C)(=O)=O)C(=O)N1CC(B2OC(C)(C)C(C)(C)O2)=CCC1(C)C 2362510498 YZWQYLLUJKHJAZ-INIZCTEOSA-N 486.440 2.493 30 10 JEEE COC(=O)c1ccc(/C=N/Nc2nnc(SCCC(=O)NCc3ccccc3OC)n2N)cc1 20914187 ISGKTWQXXYNTIT-DHRITJCHSA-N 483.554 2.032 30 10 JEEE CCOCCCNC(=O)/C(C#N)=c1/s/c(=C/c2ccco2)c(=O)n1-c1ccc(C)cc1C 40161582 LJWUDGPXTMRZTJ-FIXAYNGVSA-N 451.548 2.155 30 10 JEEE CCCCCCCCO[C@@H]1O[C@H]([C@@H](COC(C)=O)OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 248298239 YQYGIWWSRQRBBQ-LXHROKJGSA-N 460.520 2.447 30 10 JEEE C#CCN(C(=O)CCCOc1ccc(I)cc1)[C@H]1CCS(=O)(=O)C1 729335217 JXCXSCOGFHOVKY-HNNXBMFYSA-N 461.321 2.099 30 10 JEEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)N2CCC(N3CCNC3=O)CC2)c1 918546782 GOBVJUYFWJDOKP-QQTULTPQSA-N 476.603 2.301 30 10 JEEE C#CC[C@H]1CCN(CC(=O)NCCN2C(=O)S/C(=C\c3ccc(OC)c(OC)c3)C2=O)C1 1197700938 BEJYDNWYXOABNZ-SMEDBKPVSA-N 457.552 2.202 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1Cc1ccc(C(C)(C)O)cc1)[C@H]1CCS(=O)(=O)C1 1286386538 CJDYVNVWCFOBOB-FQEVSTJZSA-N 467.595 2.186 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCc2nc(C(F)(F)F)cs2)CC1 1286490514 XBVZYDUSHHRAIF-UHFFFAOYSA-N 492.531 2.362 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2CCc2ccncc2)CC1 1286491152 HKRAFABNLVONOX-UHFFFAOYSA-N 458.566 2.481 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCOCC)CC1 1286491933 BSBSNEDSKDHUKR-UHFFFAOYSA-N 488.633 2.395 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@H](C)CN(C)C(=O)OC(C)(C)C)CC1 1286493299 NCMRIMRYKQGPFO-QUCCMNQESA-N 488.633 2.251 30 10 JEEE C=C(Br)Cn1c([C@H]2CCCCO2)nnc1N1CCN([C@@H](C)C(=O)NCCCOC)CC1 1286539547 ZJADHUVCDDCNNL-ZWKOTPCHSA-N 499.454 2.092 30 10 JEEE C=C(Br)Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1286543984 XGPZBVZEVIOYFO-AEFFLSMTSA-N 494.438 2.416 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1286549240 WUHYDHMTRDQDNX-HKBOAZHASA-N 471.606 2.116 30 10 JEEE C=CCCCn1c(-c2cnn(C)c2)nnc1N1CCC(CC(=O)N2CCN(CC)CC2)CC1 1286698443 YOZGPXSNJWVWTN-UHFFFAOYSA-N 454.623 2.415 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1286791718 AILGIBZBWJKNLN-FQEVSTJZSA-N 489.642 2.470 30 10 JEEE CC(=O)N1CC[C@@H](CN(C)c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CC(F)(F)CO2)C1 1286851743 WPQLGRGHQMFOGU-AZUAARDMSA-N 474.512 2.458 30 10 JEEE C[C@@H]1COCCN1CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](C(F)(F)F)C1 1291306495 AGTVKHDOGWJDTA-QAPCUYQASA-N 450.465 2.305 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2CCCN2CCC(O)CC2)c1 1300332262 AVLRMGHTJDUKEO-UHFFFAOYSA-N 461.570 2.176 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCN(C)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1300495148 DKTLOCYOFDVVDV-TZIWHRDSSA-N 463.648 2.063 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCN(C(C)C)C(C)C)CC1 1300688900 MGCMLOZWGOBKHP-UHFFFAOYSA-N 472.659 2.223 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCCOc2ccccc2)CC1 1300707356 FJNKBXMHJUJHFT-UHFFFAOYSA-N 464.595 2.494 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2CCN2CCOC(C)(C)C2)CC1 1300729276 TVCDHWGLDDPJKR-UHFFFAOYSA-N 456.635 2.087 30 10 JEEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 1301498234 LQSLIDXQKPBOGR-PZJWPPBQSA-N 471.650 2.055 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(NC(=O)C2CC2)CC1 1301502633 NDDWIVZEVUVFLI-UHFFFAOYSA-N 456.978 2.320 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1301593600 QPDLRHXFBUTHKY-HSZRJFAPSA-N 494.589 2.371 30 10 JEEE C=CCSCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCS(=O)CC1 1301617242 ADUZZYVECUDCRL-UHFFFAOYSA-N 474.700 2.131 30 10 JEEE C[C@@H]1CCCN([C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(CC(=O)N(C)C)CC2)C1 1305022689 COCOIHQGRKUUCG-NHCUHLMSSA-N 478.645 2.147 30 10 JEEE C#CCCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)CCNS(C)(=O)=O 1358912771 YJUQICAGEDPBBW-UHFFFAOYSA-N 482.651 2.182 30 10 JEEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 1358918832 IKFYDSWKSFLGOE-UHFFFAOYSA-N 475.528 2.369 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1CC(F)(F)CNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1358955935 XCZBEISQFZYXAP-OAHLLOKOSA-N 489.589 2.362 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCN1CCCC(C)(C)C1)[C@@H]1CCS(=O)(=O)C1 1358961517 AMLSARIQQZWPRZ-HXUWFJFHSA-N 470.643 2.397 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CCN(C(C)C)C(C)C)[C@H]1CCS(=O)(=O)C1 1358964900 JUBHXTZRPNFYCI-NRFANRHFSA-N 458.632 2.009 30 10 JEEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1C[C@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1358967105 DNMNKGQKRKWRDE-DYESRHJHSA-N 466.991 2.298 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCN(C)Cc2ccccc2)CC1 1359030789 FVMCQLTYCSRTMH-SANMLTNESA-N 466.630 2.206 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1359090132 VHTPVHWOMQRYFJ-XLIONFOSSA-N 485.589 2.093 30 10 JEEE C=C(C)COCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1359130038 WHSHJLFHLDYIRR-UHFFFAOYSA-N 481.557 2.142 30 10 JEEE C=C(C)COCCn1c(Cc2ccccc2C)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1359134031 IMWOQRORMWPJSO-UHFFFAOYSA-N 452.559 2.291 30 10 JEEE C=CCCOCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(C)=O)C[C@H]1C 1359228211 WVSRPBPKQBWMDV-UYAOXDASSA-N 492.621 2.236 30 10 JEEE C=CCN(CC=C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCOC[C@H]1OC 1359270136 CPGWOSZLRYZDBH-PKOBYXMFSA-N 460.604 2.468 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2ccccn2)CCC1 1359271650 ALPTVXFAQFMALY-IBGZPJMESA-N 472.615 2.306 30 10 JEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 1359302837 VNNVESPACHTGHV-QGZVFWFLSA-N 484.582 2.007 30 10 JEEE C=CCNC(=O)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC[C@H]1CC 1359303017 BDAFKPLLOJIPKE-OAQYLSRUSA-N 451.619 2.324 30 10 JEEE CC[C@@H](C)N(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1496187310 FTGLWSXGGNUHEP-OFNKIYASSA-N 495.628 2.287 30 10 JEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(F)(F)C1(OC)CCOCC1 1507616557 KWRVTBBBSPTIMB-KRWDZBQOSA-N 499.559 2.487 30 10 JEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CC(C)(C)c1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1507622292 CZTSWUBBQBTQJR-FQEVSTJZSA-N 499.637 2.127 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)o2)n1Cc1ccc(OC)c(O)c1)[C@H]1CCS(=O)(=O)C1 1507628969 QVYGBOWPHLMYSL-KRWDZBQOSA-N 456.524 2.236 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1cccc(COC)c1)[C@@H]1CCS(=O)(=O)C1 1507630591 CTNLQEVBROLNRX-OAQYLSRUSA-N 465.579 2.470 30 10 JEEE C#CCN(c1nnc(-c2cn(C)c3ccccc23)n1C[C@H](F)COC)[C@@H]1CCS(=O)(=O)C1 1507630604 CYQLYSLZVDKIAV-DLBZAZTESA-N 459.547 2.048 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@]2(O)CCC[C@@H]2C)CC1 1507733878 CTYVWYMXXBMVMP-AVRWGWEMSA-N 451.571 2.471 30 10 JEEE C#CCSCCn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1507756526 JRVWSDKCCZKRGJ-HXUWFJFHSA-N 473.574 2.190 30 10 JEEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1507786770 ZDBSAIZBPITDTJ-SFHVURJKSA-N 483.455 2.461 30 10 JEEE C=CCC(C)(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(NS(C)(=O)=O)CC1 1507914668 NJJSXZUVIXCKIR-UHFFFAOYSA-N 499.641 2.312 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1508073629 LHHLYIMDROFOSM-UHFFFAOYSA-N 468.993 2.347 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)Cc2cccc(OC)c2)CC1 1508075920 CAMBTUSDHNMYHI-UHFFFAOYSA-N 478.553 2.049 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2(S(C)(=O)=O)CCC2)C1 1508117960 QAMDOPCXNQZCDT-GOSISDBHSA-N 494.639 2.097 30 10 JEEE CC(C)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCCC2)CC1=O 1509430934 HHMSHAGKOPIFRZ-UHFFFAOYSA-N 452.559 2.338 30 10 JEEE C[C@@H](N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(C(N)=O)CCOCC2)CC1)C(F)(F)F 1510141740 HIPAHNGWRVLFOE-MRXNPFEDSA-N 491.518 2.172 30 10 JEEE CN(C)[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C(N)=O)C1)c1ccsc1 1516989072 BTGUXAOUGXLOQT-PXNSSMCTSA-N 465.583 2.405 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCNS(=O)(=O)CC 1539015311 UDGCEGZWWJNTKA-QZTJIDSGSA-N 482.651 2.180 30 10 JEEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@H](C)c1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 1539229828 IQNVIHIZOPTXOO-PZJWPPBQSA-N 469.611 2.139 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@@H](CC)OC)[C@@H]1CCS(=O)(=O)C1 1539230288 LIGOUBVXVNMGQA-QZTJIDSGSA-N 450.536 2.048 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(S(C)(=O)=O)CC1 1539412971 FYVHSDSKJMEOCG-SFHVURJKSA-N 495.646 2.056 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC2(O)CCC2)CC1 1539490446 VOVZEPLLIHXZRA-IBGZPJMESA-N 486.617 2.231 30 10 JEEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CC(=O)NC(C)(C)C 1539500141 UCGNVQVXPXRZPZ-UHFFFAOYSA-N 463.629 2.066 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)Oc1cccc(OC)c1 1539539101 PTFXJIRRJMNABG-HYFFOGBASA-N 461.588 2.357 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N1CCN(c2ccccc2)CC1 1540072525 LWJKFXCCOBXDBW-WOJBJXKFSA-N 458.632 2.013 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1540865588 LHRAVXAZARBSSK-UHFFFAOYSA-N 460.542 2.046 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CC[C@H](C(=O)N(C)c2ccccc2)C1 1540901303 ZMGYOPVVYZVJTB-SFHVURJKSA-N 468.583 2.363 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1C[C@H]1CCCN1C1CCCCC1 1541920937 HSJOOECPVJPMDM-FXAWDEMLSA-N 463.652 2.425 30 10 JEEE CCNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN(C)CC(F)(F)F)CC1 1547776491 HOOGVCRRGRYXQA-UHFFFAOYSA-N 494.522 2.074 30 10 JEEE CCOC[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(C(N)=O)CCOCC2)C1 1548210049 GDSLUQVEMMJJNU-HXUWFJFHSA-N 482.585 2.264 30 10 JEEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCSC1 1554165024 GAXWMZIAMJCALV-VQTJNVASSA-N 490.655 2.262 30 10 JEEE CO[C@@]1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(C(=O)C(C)(C)C)CC2)CCOC1 1554714531 HLHFORDLKGCQGA-XMMPIXPASA-N 452.559 2.317 30 10 JEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCCC[C@@H]1c1nnc([C@H]2CCCO2)o1 1556845765 CBZAJFCOHCIWHD-BMGDILEWSA-N 459.528 2.213 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OCC)CCOC3)n2Cc2nccs2)c1 1587689206 DKJRSLLLHGLCSC-QHCPKHFHSA-N 466.567 2.491 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@H]1CC(F)(F)CO1)[C@@H]1CCS(=O)(=O)C1 1588069032 FUFRCCUJQHTKNI-IEBWSBKVSA-N 480.537 2.216 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccccc2Br)n1CCCNS(C)(=O)=O 1588205222 HUAZWOIJJBOXRY-UHFFFAOYSA-N 464.389 2.110 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1CC[C@H](C(F)F)N1CCOCC1 1588481472 JWQQKAFWVCHSBJ-WOJBJXKFSA-N 490.530 2.364 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1CCc2ccccc2C1 1588647935 ZPPHTOZATFSXSA-JOCHJYFZSA-N 485.654 2.103 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](CC)c3ccccc3)n2Cc2ccc(C(N)=O)nc2)CC1 1588890752 FPSYPSIKEGDEKE-JOCHJYFZSA-N 485.592 2.328 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2nccs2)CC1 1588961620 GODVBDINAOTNIS-UHFFFAOYSA-N 475.578 2.394 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C2CC2)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 1589530598 WWKVZIBUTXWDPW-PMACEKPBSA-N 467.636 2.014 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[C@H](C)N2CCCCC2)CC1 1594241601 VXPXJNYHTXLVNB-FPOVZHCZSA-N 480.679 2.278 30 10 JEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1594627652 WHLSSVJVQQXRSC-INIZCTEOSA-N 493.552 2.315 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CC[S@@](=O)CC)C1 1595682224 YXESZNMBJJCMRX-IAQAZVPISA-N 480.660 2.097 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@](C)(C(N)=O)C1 1595760123 KTPKDNKHVZMNNA-MBSDFSHPSA-N 475.615 2.337 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC[C@H](NC(C)=O)C1 1595766132 MKPDXZPINWEEHV-IBGZPJMESA-N 483.598 2.041 30 10 JEEE CC(C)C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 1628974706 HOMCPEPAWCTAAQ-RDJZCZTQSA-N 452.577 2.281 30 10 JEEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1 1657641124 JPEOSRJUGVYEOY-AYBZRNKSSA-N 455.602 2.408 30 10 JEEE C#CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)COC)CC1 1689875118 KMKYSLPCAARSKA-UHFFFAOYSA-N 452.559 2.246 30 10 JEEE C#CCN(c1nnc(CC)n1C[C@H](c1cccc(OC)c1)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1689992457 LAHORXOEUQNXMQ-RBBKRZOGSA-N 471.627 2.313 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCn1ccnc1C 1690090881 BAHZKOXCUKVKML-IBGZPJMESA-N 456.547 2.164 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(C)CCCO1 1690104557 ZJXBLUAFJYXFPX-FDDCHVKYSA-N 463.579 2.242 30 10 JEEE C=C(C)COCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1690319508 PNCIHMZUXBQMPF-NFBKMPQASA-N 466.586 2.478 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc(CN2CCCC2=O)n1CCN1CCOC[C@H]1C 1690571755 HXQPWRURRSTFPG-LJQANCHMSA-N 456.566 2.453 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCCCS1(=O)=O 1690603792 IHBZLVILCROPEZ-PMACEKPBSA-N 457.600 2.432 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1690676025 NCPNBKIIUUIBNH-MRXNPFEDSA-N 482.507 2.241 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc2cnccc2c1 1690714386 LQUKWODIUJPTOM-UHFFFAOYSA-N 468.583 2.300 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@@H](C)O[C@H](C)C1 1690719073 HHAUORRBQMYWLT-HZPDHXFCSA-N 450.561 2.177 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1690723431 RJZJDDRODPKOQL-UHFFFAOYSA-N 463.564 2.483 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1690725243 JQUHNCNWCQMLDN-QIDMFYOTSA-N 460.600 2.076 30 10 JEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)Nc1ccc(C)cc1 1690744127 JRBBSHJXDMBYRE-QGZVFWFLSA-N 463.629 2.483 30 10 JEEE CCN(CC)C(=O)CCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@@](F)(C#N)C1 1695586855 CJJNOAYCHIYXRW-JOCHJYFZSA-N 490.609 2.329 30 10 JEEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1705510381 YPWGOLPKUKAFIJ-DLBZAZTESA-N 466.629 2.410 30 10 JEEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(C(C)(F)F)cc1)[C@H]1CCS(=O)(=O)C1 1705566971 SUSGASNFNGKABD-ROUUACIJSA-N 477.537 2.016 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)cc1OCC1CC1 1705582989 ODBXVWUKBKDZKU-NRFANRHFSA-N 452.580 2.399 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCN1CCOC[C@H]1C 1705611943 TXHLYOWMJZWCSO-LJQANCHMSA-N 463.586 2.245 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2cnn(C)c2C)CC1 1705646047 PCDOXSWFNSSKRS-UHFFFAOYSA-N 452.950 2.050 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CCCS(=O)(=O)c2ccccc2)CC1 1705649034 HXLALXMYVMPVSM-UHFFFAOYSA-N 492.605 2.170 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC1(O)CCS(=O)(=O)CC1 1705667871 XAWNNLYGILOMGK-HSZRJFAPSA-N 485.610 2.079 30 10 JEEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1705729475 ZJDZMNQMSYBAAG-HSZRJFAPSA-N 456.547 2.292 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1705786370 MICYMSNCQBFHLN-IIBYNOLFSA-N 455.625 2.265 30 10 JEEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccc(C)cc2)CC1 1705829522 UHHRTCULEFGXBV-HXUWFJFHSA-N 452.559 2.093 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCn1cc(C)cn1 1705859632 CSGNGJWJUAUDSD-OAQYLSRUSA-N 465.583 2.450 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCC(O)CC1 1705861801 PEHZJZOVBQVXHD-NRFANRHFSA-N 473.643 2.220 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCN(Cc2ccc3c(c2)OCCO3)CC1 1705897235 ITVGLTGRBZZWSG-GOSISDBHSA-N 454.575 2.187 30 10 JEEE CC(C)NC(=O)c1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1C[C@@]1(O)CCO[C@@H]1C 1706595258 BBBWLWBUCATZSJ-OSPHWJPCSA-N 450.543 2.122 30 10 JEEE CC[C@H](C)[C@@](C)(O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1708347595 GRDRHIOXICRUDH-UXSWERMXSA-N 469.565 2.364 30 10 JEEE CN(C)CC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1711009693 FSNMKTDFTSEXMD-UXHICEINSA-N 451.575 2.267 30 10 JEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 1722308311 KHBBTXSMTWPNRC-RBUKOAKNSA-N 478.663 2.167 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H](CC(C)C)NC(=O)OCC)[C@H]1CCS(=O)(=O)C1 1722361385 MPJDDCPTOQBIOO-PMACEKPBSA-N 488.614 2.128 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ncnn1C(C)(C)C 1722382664 BRTTWTQCZQBMHR-SFHVURJKSA-N 482.589 2.054 30 10 JEEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1722454276 ATPUVVAPYOTMNM-HXUWFJFHSA-N 450.568 2.011 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1(C(N)=O)CCOCC1 1722465733 AXJPLKHSGJIWMF-HSZRJFAPSA-N 484.988 2.136 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(Br)n1 1722502310 TVCYQRQTSQYARW-ZDUSSCGKSA-N 457.398 2.497 30 10 JEEE C=C(C)COCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC(=O)N(C)C[C@@H]1C 1722531559 SNSPWESNRMTGIK-INIZCTEOSA-N 459.547 2.231 30 10 JEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCCN1CCC)C1CC1 1722650608 GSSCFQBHBCOEKJ-VQTJNVASSA-N 466.652 2.030 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCC(N2CCCCC2)CC1 1722730617 XLMRVVUPPOWKJH-UHFFFAOYSA-N 475.663 2.195 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1CCc1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1740620975 IZYUKYNZTZRQIY-LJQANCHMSA-N 453.568 2.162 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@@H]1CCCCN1CC)[C@H]1CCS(=O)(=O)C1 1740628426 QIFWQZHWOKLMRU-PMACEKPBSA-N 489.617 2.497 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCO[C@@H]1CCOC1 1740677550 WSIFYISEQMTWEA-PZJWPPBQSA-N 476.574 2.155 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCc2scnc2C)CC1 1740703410 RJEQTBSDUJXUGN-XMMPIXPASA-N 486.642 2.292 30 10 JEEE C=C(Br)Cn1c(CC2CCCC2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1740747597 PCQVTWIUNWCJDH-OAHLLOKOSA-N 451.369 2.392 30 10 JEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)c2c(F)cccc2F)CC1 1740786636 KDWASLNFTLEKQE-UHFFFAOYSA-N 488.539 2.347 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1740963327 HSRLWPUXOVPFNE-QHCPKHFHSA-N 495.672 2.381 30 10 JEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](c2cccc(F)c2)C1 1740963492 MJOJELCRHVHZNS-HXUWFJFHSA-N 453.522 2.159 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1740969910 XMYQVQBREPBXKJ-RTBURBONSA-N 473.599 2.246 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1CCN1CCCS1(=O)=O 1748650157 YEVORHTWQDQGQP-ZDUSSCGKSA-N 470.368 2.340 30 10 JEEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1CCC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1748820900 JDHVATOWVPLMLT-FQEVSTJZSA-N 487.626 2.015 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@]1(C)CCCO1 1748881503 GFXZSDYSAQOEKZ-HSZRJFAPSA-N 455.584 2.227 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](OC)C1CC1 1748965143 PPSPUNWAUYIHLL-OALUTQOASA-N 463.579 2.098 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCN(CC)CCC(F)(F)F)CC1 1749020144 MUOPNWGATRZQNH-GOSISDBHSA-N 470.540 2.370 30 10 JEEE C#CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1749026586 NHOMTMBSHDXEFL-SFHVURJKSA-N 477.656 2.428 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN(C)Cc1ccc(F)cc1 1749053110 BJMUMYCIHLDCIW-VGOFRKELSA-N 462.595 2.152 30 10 JEEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2c(F)ccc(F)c2C1 1749213627 PBLKBSFHQKPRDY-CQSZACIVSA-N 455.531 2.322 30 10 JEEE C=CCCOCCn1c(-c2ccccn2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1749452221 SARNTYKIYPKNMK-NRFANRHFSA-N 467.618 2.456 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)Nc2ccccn2)nnc1N1CC(=O)N(C)[C@H](C)C1 1749687203 NWNFMPWOXPUWBP-QGZVFWFLSA-N 461.526 2.205 30 10 JEEE C[C@H](C#N)CN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCN1CCN(C)C(C)(C)C1 1750066053 FZOPCTPBFYAMEU-GOSISDBHSA-N 453.591 2.338 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1Cc1ccc(CN2CCCC2=O)cc1 1751212155 HNLQIJHUUJYXSP-GOSISDBHSA-N 499.641 2.189 30 10 JEEE Cc1cccc(-c2nnc(N3CCN(c4nccnc4C#N)C[C@@H]3C)n2C[C@](C)(O)C(C)C)n1 1751621202 CFJFKGAHXLNLJG-UUOWRZLLSA-N 461.574 2.432 30 10 JEEE C#CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCO[C@@H](COC)C1 1760135211 MWKPRAZINYMUDX-GOSISDBHSA-N 450.543 2.330 30 10 JEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 1760145513 QCBLFAIADMSFFH-IRXDYDNUSA-N 450.634 2.246 30 10 JEEE C#CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1CC1(SC)CCN(C)CC1 1760250702 KPICVLMLJCDMTD-UHFFFAOYSA-N 467.643 2.430 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@@H]2CCN(c3ccccc3F)C2)CC1 1760257362 UTSFUYKFMZXYDS-NHCUHLMSSA-N 470.593 2.423 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H]2CN(CC(C)C)CCO2)CC1 1760263454 BSCJWIGLQFZHDR-YTFSRNRJSA-N 472.678 2.309 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cc(F)ccc2SC)CC1 1760269074 XFFWBUDXEVAYSL-SFHVURJKSA-N 470.574 2.104 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cnn(-c2ccccc2)c1 1760289740 SJLLGTVRLJHEEG-HTAPYJJXSA-N 453.572 2.114 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1760314181 UHVJEUWKYITRTD-SJORKVTESA-N 486.539 2.292 30 10 JEEE C=CCC(C)(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1760408804 SJHNQHYSNKWUQS-MRXNPFEDSA-N 458.592 2.392 30 10 JEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 1760450272 HRTRJBGWEHMCAF-LJQANCHMSA-N 489.646 2.013 30 10 JEEE C=CCCOCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCOCC1 1760451542 LXFGOTBMCNBRMI-GOSISDBHSA-N 451.568 2.406 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCOC[C@H]1C)C(C)C 1760489048 BFWXCBNHEHVJAS-VAMGGRTRSA-N 451.637 2.104 30 10 JEEE CCOC(=O)N1CCN(C(=O)[C@@H](CC)NC(=O)C2CCN([C@H](C#N)c3cccs3)CC2)CC1 1868795651 MODGJMCESRFDPQ-RTBURBONSA-N 475.615 2.220 30 10 JEEE O=C([C@H](Cc1c[nH]c2ccccc12)N=C1NS(=O)(=O)c2ccccc21)N1CCC2(CC1)OCCO2 1869927973 KDQJNKNSEHHZLG-NRFANRHFSA-N 494.573 2.183 30 10 JEEE C=CCn1c(C(=O)N2CC(O)C2)cc2c(N3CCN(C/C=C/c4ccccc4)CC3)ncnc21 1873562624 LQIHCGNRUBRBAA-RMKNXTFCSA-N 458.566 2.269 30 10 JEEE CC(=O)NCc1nnc(SCC(=O)NCc2ccco2)n1/N=C/c1c[nH]c2ccccc12 1874433084 CKECBWLDBJXLHW-KIBLKLHPSA-N 451.512 2.279 30 10 JEEE CN(C)CC#C[C@@H]1CCCN1C(=O)C[C@@H]1CSc2nc3c(cnn3-c3ccccc3)c(=O)n21 1890525115 RZOCQMYBIRKDDB-IEBWSBKVSA-N 462.579 2.175 30 10 JEEE CCN1CCN(CC#CCOC2CCN(C(=O)c3cc(-c4ccc5c(c4)OCO5)on3)CC2)CC1 1890641759 FEIQKZJXMNAJFR-UHFFFAOYSA-N 480.565 2.332 30 10 JEEE N#Cc1cccnc1OC1CCN(C(=O)C[C@H]2CSc3nc4c(c(=O)n32)CCCC4)CC1 1891258794 RZXKQYDMHKGDTQ-INIZCTEOSA-N 451.552 2.496 30 10 JEEE CCN=c1[nH]c(C)cc(=NCCNC(=O)C2CCN(c3oc(-c4cccs4)nc3C#N)CC2)[nH]1 1891448761 LYRACLCBSMVVLB-UHFFFAOYSA-N 480.598 2.094 30 10 JEEE C[C@@H](NS(=O)(=O)CCN1C(=O)c2ccccc2C1=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2013660671 UPTQYEWEYPZYNH-CQSZACIVSA-N 490.412 2.324 30 10 JEEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@]1(C(=O)O)CCCN(C(=O)OC(C)(C)C)C1 2059911616 ZQCFZCONUWBFJE-QRQCRPRQSA-N 453.536 2.264 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](S(C)(=O)=O)[C@H](NCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2192661422 XOKCZJBLOWEPMF-MOPGFXCFSA-N 480.436 2.108 30 10 JEEE C=CCC1(C(=O)N2C[C@H]3[C@@H](CO)N(C(=O)OC(C)(C)C)C[C@H]3C2)CN(C(=O)OC(C)(C)C)C1 2227325122 MPKROUKQRCFSDQ-KZNAEPCWSA-N 465.591 2.486 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CO)CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1Cl 2255543764 NYNPZWVQJLVVAT-CQSZACIVSA-N 454.760 2.255 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(NS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2255949088 STHOLYYHLCEJAJ-RBZFPXEDSA-N 470.422 2.335 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)s1 2256623190 PMFANVOKGGNNFZ-LSDHHAIUSA-N 452.382 2.203 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)sc1CN(C)C(=O)[C@H](CO)NC(=O)OC(C)(C)C 2256624682 OWAGXYSWMAXDPO-AWEZNQCLSA-N 454.398 2.200 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)cs1 2256626501 KSNUMZHWMRCITR-INIZCTEOSA-N 452.382 2.299 30 10 JEEE CO[C@H]1CN(C(=O)c2c(C)nsc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1NC(=O)OC(C)(C)C 2267125539 GNASMWKLNDWIQZ-KBPBESRZSA-N 467.397 2.115 30 10 JEEE COC1(CCNC(=O)OC(C)(C)C)CN(C(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C1 2267152534 QYWHVGQLFGFXLZ-UHFFFAOYSA-N 467.397 2.198 30 10 JEEE Cc1ccc(S(=O)(=O)NC[C@H]2C[C@@H]2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2267360393 UFWLODUZXYDFGN-WBVHZDCISA-N 466.409 2.486 30 10 JEEE CC1(C)OB(c2cnsc2C(=O)NC2(CN)CCN(Cc3ccccc3)CC2)OC1(C)C 2267537616 JBEWDGPDLDVMRN-UHFFFAOYSA-N 456.421 2.166 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC2(C(=O)O)CN(C(=O)OC(C)(C)C)C2)s1 2267566779 FEZDXLQGTQITQU-UHFFFAOYSA-N 466.365 2.160 30 10 JEEE CC1(C)OB(c2cnc(NS(=O)(=O)N3CC(OCc4ccccc4)C3)c(F)c2)OC1(C)C 2268364162 YJEGNNNNYLUAII-UHFFFAOYSA-N 463.340 2.078 30 10 JEEE Cc1cc(CNC(=O)[C@H]2C[C@@H](O)CN2C(=O)OC(C)(C)C)sc1B1OC(C)(C)C(C)(C)O1 2268649845 FYVWXLAULHAHMD-GDBMZVCRSA-N 466.409 2.342 30 10 JEEE CC(C)(C)OC(=O)N1CC(O)([C@H](F)C(=O)Nc2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2268719114 YPJLYYMMGXCJLN-MRXNPFEDSA-N 450.316 2.244 30 10 JEEE Cc1c(C(=O)N[C@@H]2CSCCN(C(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281803854 CRMLDNKNRALBMJ-HNNXBMFYSA-N 480.440 2.110 30 10 JEEE Cn1nc(C(=O)N2CCC[C@@H]3[C@H]2CCN3C(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2281977305 NMOCAVAVGHGWQH-IAGOWNOFSA-N 460.384 2.333 30 10 JEEE Cc1c(C(=O)N[C@]23CC[C@H]2CN(C(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281992130 KBDZFCRQEJHQJV-WNSKOXEYSA-N 460.384 2.157 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(C)C[C@H]1CNC(=O)OC(C)(C)C 2282057566 IVWUXAKMVXGZFJ-OAHLLOKOSA-N 480.440 2.032 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)N[C@@]1(CO)CCN(C(=O)OC(C)(C)C)C1 2282143487 WVWVVLIUEXWHEH-DEOSSOPVSA-N 460.380 2.396 30 10 JEEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(Cc2ccccc2)CC(C)(C)C1 2282172023 RCTDGAPCTYFNNR-UHFFFAOYSA-N 453.396 2.099 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(F)c(B3OC(C)(C)C(C)(C)O3)c2)[C@@H](CO)C1 2282478944 KURCMCAXWDHKDZ-MRXNPFEDSA-N 464.343 2.179 30 10 JEEE CC(C)[C@@H]1[C@H](NC(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2282530908 BDIAKAGJNFDXLU-SJLPKXTDSA-N 462.400 2.483 30 10 JEEE Cc1c(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H]3CC[C@@H]32)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282555518 URXDHFJINCJUGR-JKSUJKDBSA-N 460.384 2.252 30 10 JEEE Cn1nc(C(=O)N2CCN(C(=O)OC(C)(C)C)CCC23CC3)cc1B1OC(C)(C)C(C)(C)O1 2282610689 AHBAAKYPNTXTII-UHFFFAOYSA-N 460.384 2.335 30 10 JEEE CC(C)(C)OC(=O)N(CCO)[C@H]1CCCN(C(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)C1 2282626320 GCPCKVKARGMZHC-INIZCTEOSA-N 464.368 2.413 30 10 JEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N(Cc1ccccc1)[C@@H]1COC(C)(C)C1 2282857760 MMBBYFGRIUHOKS-SFHVURJKSA-N 475.420 2.478 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCC=CCNC(=O)OC(C)(C)C 2282874229 XMIJFXUVEURJCW-UHFFFAOYSA-N 482.408 2.354 30 10 JEEE CN(C(=O)OC(C)(C)C)[C@H]1CN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CC12CC2 2283073142 YJFPZVBIUHGNMC-HNNXBMFYSA-N 458.368 2.247 30 10 JEEE COC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2cccc(B3OC(C)(C)C(C)(C)O3)c2C1 2283926991 VJDRYKQUTLJASO-LJQANCHMSA-N 460.380 2.410 30 10 JEEE C[C@@H](c1nscc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)CC1(O)CN(C(=O)OC(C)(C)C)C1 2283951968 CIWWKNYRWRNYMO-AWEZNQCLSA-N 481.424 2.334 30 10 JEEE C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2cc(B3OC(C)(C)C(C)(C)O3)ccc2C1 2283967904 IAVKYORWGWGCCR-HNAYVOBHSA-N 460.380 2.145 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@H]1CC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2283987967 OWRQRAIBFIWVSL-OAHLLOKOSA-N 465.331 2.484 30 10 JEEE C=CCNC(=O)NS(=O)(=O)c1ccc(CNC(=O)C=Cc2ccc(OC)c(OC)c2)cc1 2325409342 ATPPXPWOSRKVOF-UHFFFAOYSA-N 459.524 2.207 30 10 JEEE O=[N+]([O-])c1cc2c(cc1C=Nn1c(Cc3ccccc3[N+](=O)[O-])nnc1SCCO)OCCO2 2328531604 RJADZJSKNWIVON-UHFFFAOYSA-N 486.466 2.423 30 10 JEEE CC(C)C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2337291340 FAQYTTGTJDMAPF-HNNXBMFYSA-N 450.389 2.389 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@]12CCCN(C(=O)OC(C)(C)C)C[C@H]1C2 2362352395 CUPIUDFGQGFECI-CMJOXMDJSA-N 460.384 2.239 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2C[C@H](NC(=O)OC(C)(C)C)C2(C)C)n1C 2362491014 YXDXOZGLLFVWBR-CABCVRRESA-N 462.400 2.449 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@H]2C[C@@H](NC(=O)c3nscc3B3OC(C)(C)C(C)(C)O3)C[C@H]21 2369087218 BRGHWQLAWLTVSK-NUEKZKHPSA-N 479.408 2.339 30 10 JEEE O=C1C=CC(Cl)=C/C1=C\NNc1nc(Nc2ccc([N+](=O)[O-])cc2)nc(N2CCOCC2)n1 136768275 SLRZZRDZQPBHHV-OUKQBFOZSA-N 470.877 2.422 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](Sc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 204865042 HKPBKBKNZZUJJN-GOEBONIOSA-N 478.424 2.382 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CCCCN1c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 215692359 CPSRLOMYQNJJOU-WMZOPIPTSA-N 489.426 2.164 30 10 JEEE C[C@@H](NC(=O)/C(C#N)=c1\s/c(=C/c2cnn(C)c2)c(=O)n1-c1ccccc1)c1ccccc1 229684800 FBHBPKQTTLJIIA-QBYFOSEKSA-N 455.543 2.013 30 10 JEEE Cn1c(=O)c2c(nc(NN=Cc3ccccc3[N+](=O)[O-])n2CCCc2ccccc2)n(C)c1=O 254762169 GUXYCAAXXCCGAO-UHFFFAOYSA-N 461.482 2.421 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)[C@@H](C)[S@](=O)CC(=O)Nc3ccc4c(c3)OCO4)cc21 586315148 NPXRVLAMHSCEPY-LHRCYKKBSA-N 470.503 2.285 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)NS(=O)(=O)c3ccc(OCC)c(OCC)c3)cc2C1=O 916176570 QEAGMZNLDLOENE-UHFFFAOYSA-N 458.492 2.385 30 10 JEEE Cc1ccc(S(=O)(=O)/N=C(\CN2CCCC2)N2CCN(S(=O)(=O)c3ccccc3)C2)cc1 1084416591 NNPCHOWIIAOACL-GHVJWSGMSA-N 476.624 2.142 30 10 JEEE COc1cc(C=NNc2nnc(SCc3nnc(C(F)(F)F)o3)n2N)cc(OC)c1OC 1084539294 HHFKKJKNNJMUGL-UHFFFAOYSA-N 474.425 2.158 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1CN(CC(C)C)CCO1 1286298997 RUWNJVXUPSDJPV-UNMCSNQZSA-N 466.634 2.267 30 10 JEEE C#CCCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1286316601 XRQMDTINPIUJRG-HXUWFJFHSA-N 466.542 2.239 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCN1CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1286380126 AGRJUWUYJUNXQJ-RDJZCZTQSA-N 495.447 2.147 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@](C)(O)[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1286387737 UUTVHQZOGBAXHM-BSRJHKFKSA-N 460.600 2.378 30 10 JEEE C#CCN(c1nnc(Cc2c[nH]c3ccccc23)n1CCCNC(=O)C(C)C)[C@H]1CCS(=O)(=O)C1 1286391528 JDVVLOKKRWYATR-FQEVSTJZSA-N 496.637 2.139 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1[C@H]1C[C@H](c2ccccc2F)C1 1286448291 RMSKDPKKCRZYTQ-ZWOKBUDYSA-N 461.563 2.328 30 10 JEEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2CCC(=O)N2CCCCC2)CC1 1286483732 WTAWUMVZLTZIDF-UHFFFAOYSA-N 464.614 2.230 30 10 JEEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@H](COC(C)C)C1 1286503365 AIPDVMUFSSPXDC-SFHVURJKSA-N 482.610 2.189 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCN1CCc2sccc2C1 1286519170 SIIZKRRGOZFPNS-HRAATJIYSA-N 462.645 2.000 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1286784945 ZIRFUJZHOPRLJS-AWEZNQCLSA-N 466.464 2.049 30 10 JEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@](O)(Cc2cccc(Cl)c2)C1 1286789472 DWQJGNHMCMNYDJ-XMMPIXPASA-N 484.004 2.279 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(CC(C)C)C(=O)C2)cc1 1286794035 UDLGOFKMDWKKKE-UHFFFAOYSA-N 454.575 2.334 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCNC(=O)C(C)C)C1 1286809574 JQTAEAMAUAEJHZ-HXUWFJFHSA-N 468.606 2.006 30 10 JEEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CC[S@](=O)C(C)(C)C 1288724942 GJSGQZJSMXUNAA-HOLBHBGLSA-N 451.618 2.233 30 10 JEEE C=CCOC[C@H](NC(=O)CC[C@H]1NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O)C(=O)OC 1297029381 GNXUYZXSTZJNQC-CABCVRRESA-N 458.298 2.059 30 10 JEEE CN(CC(C)(C)CN1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCS(=O)(=O)C1 1298235525 HJMWHMUPCJPKEA-FQEVSTJZSA-N 486.642 2.046 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2C[C@H]2CCCS(=O)(=O)C2)c1 1300334131 HYJQJXJRIYJJBI-OAQYLSRUSA-N 492.605 2.145 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCC(=O)N1CCOCC1 1300516430 ONQVXBFCXGSJDZ-GOSISDBHSA-N 451.596 2.453 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC[C@@H]1COCCO1 1300560540 CLAUWIIZUZSKNO-LJQANCHMSA-N 454.527 2.239 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2CC2CCN(C(=O)OC)CC2)CC1 1300709822 HRNGBISJMCZXCK-UHFFFAOYSA-N 482.585 2.099 30 10 JEEE C#CCSCCn1c(-c2cc3ccccc3o2)nnc1N1CCN(CC(=O)N(C)C)CC1 1300742699 RZXBJZNBXWVHPV-UHFFFAOYSA-N 452.584 2.268 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC(C)(C)C1 1300884355 JUSVJHWTGBBZPV-OTWHNJEPSA-N 467.636 2.219 30 10 JEEE COCC[C@@](C)(O)Cn1c(COc2ccccc2F)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1301461642 BMPPTBAMPCYWCN-RUZDIDTESA-N 495.559 2.377 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CC(=O)N(C)C[C@@H]1C 1301484919 OWNYXGAEAIQYQT-LBPRGKRZSA-N 481.782 2.330 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1301490747 YKRUDCVUGSBRFS-UHFFFAOYSA-N 473.585 2.050 30 10 JEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@H]1c1ccc(OC)cc1 1301585897 GRYLNUIYLQNTLA-FQEVSTJZSA-N 473.599 2.351 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1301587096 XMZISPGXBYCHKJ-LJQANCHMSA-N 464.636 2.119 30 10 JEEE CCO[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1314268296 HFQQZJCLZLWFMS-UXHICEINSA-N 458.588 2.246 30 10 JEEE COCc1ccccc1Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](C#N)C1 1315863519 BOPDDFXEJSRBHG-SFHVURJKSA-N 452.540 2.193 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2C[C@H]2CCOC[C@H]2OC)c1 1358901699 UGUPRVNEEOIARL-DENIHFKCSA-N 460.538 2.448 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1C[C@H]1CCN(CC)C1)[C@H]1CCS(=O)(=O)C1 1358958665 TWLFAPIHPKOMCB-UNMCSNQZSA-N 455.628 2.476 30 10 JEEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCS(=O)(=O)CC1CC1 1358978471 NTZFZDAYPAYUPQ-UHFFFAOYSA-N 489.642 2.290 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(C)(C)CN(C)C 1358979788 XTLVQDVKFGFCOK-IBGZPJMESA-N 458.607 2.247 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(CN2CCCC2=O)cc1 1358984371 RVTRMDGLEBAJQC-UHFFFAOYSA-N 458.566 2.148 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(O)CCCC1 1358994224 HSEUPWUIHBSEQR-LJQANCHMSA-N 457.575 2.355 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@]2(O)CCC[C@H]2C)CC1 1359042351 BYKRTLAKZKYIHB-WXTAPIANSA-N 481.597 2.479 30 10 JEEE C#CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](C(=O)OC)C1 1359058027 QOKOEDNIESKCGD-QZTJIDSGSA-N 493.630 2.342 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(F)F)CC1 1359091298 LTYAVMZSPOXJRT-LPHOPBHVSA-N 461.517 2.294 30 10 JEEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1359137241 JVCSICXGCWLTSB-OALUTQOASA-N 464.611 2.225 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 1359299631 KDVVMVOVYONXOG-RCZSKKKRSA-N 470.622 2.075 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCSC2(CCOCC2)C1 1359330738 BIUGHAIXYNFRHF-UHFFFAOYSA-N 463.629 2.352 30 10 JEEE CN1CCN(CC2(C)CCN(S(=O)(=O)c3cccc(Br)c3C#N)CC2)CC1 1475180577 BAARIIQHCKCVKQ-UHFFFAOYSA-N 455.422 2.359 30 10 JEEE CCc1ccc(-c2nnc(N3CCN(c4nccnc4C#N)C[C@H]3C)n2CCN(C)CCOC)cc1 1497963913 GXPJBPCJYUGRRJ-HXUWFJFHSA-N 489.628 2.462 30 10 JEEE CCC[C@](C)(O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1499957589 GHDQJYVRRXNEEC-BWKNWUBXSA-N 465.602 2.364 30 10 JEEE CCCn1nc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC[S@](=O)C(C)(C)C)c2ccccc2c1=O 1501078393 BFDLGIJQOXMPON-XXICBBBGSA-N 497.625 2.341 30 10 JEEE CCOC(=O)N[C@@H](CC(C)C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](C#N)C1 1502519102 CRZNGIWQBJUYRH-DLBZAZTESA-N 489.602 2.159 30 10 JEEE CNC(=O)CCn1c(Cc2cccnc2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1503815983 DGNVWDOWVYRALV-UHFFFAOYSA-N 464.961 2.252 30 10 JEEE COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2CN(CC(C)C)CCO2)cc1OC 1504202184 DUFVEHWGFDQPFH-PMACEKPBSA-N 470.574 2.048 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1-n1nc(C)cc1C 1507518597 VTDZJSHRRGRNLW-SJLPKXTDSA-N 455.588 2.197 30 10 JEEE C#CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1507592502 SFFKZIDJMZYXHI-MSOLQXFVSA-N 465.620 2.429 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCN1CCOCC1 1507710648 JAVFTNUGXAHACX-OAQYLSRUSA-N 490.649 2.201 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H](c2ccc(F)cc2)N(C)C)CC1 1507715774 IBXOGYRSEIYBJE-QFIPXVFZSA-N 469.609 2.394 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCCC(=O)N(C)C)CC1 1507733991 DXVRFMGNPYYXGC-UHFFFAOYSA-N 488.539 2.381 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC(NC(=O)CCC)CC1 1507806938 OVKLPZXCADPIRE-WZONZLPQSA-N 458.607 2.267 30 10 JEEE C=C(C)COCCn1c(-c2nnc(O)c3ccccc23)nnc1N1C[C@H](C)O[C@@H](COC)C1 1507842811 CQZLIGOQFLSUDI-DLBZAZTESA-N 454.531 2.427 30 10 JEEE C=CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@H]1CC(=O)N(CCOC)C1 1507978324 JKRHVBRPOWWOPR-GOSISDBHSA-N 479.585 2.353 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1508090093 HHPXBQPLRSWDQR-YJBOKZPZSA-N 480.491 2.166 30 10 JEEE C=CCOc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@@H](NC(=O)CC)C2)cc1 1508100946 ROAMHBGZTLFKFU-VQTJNVASSA-N 487.626 2.288 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC(F)(F)CNC(=O)OC(C)(C)C)C1 1508110295 ZFIJPAZRYFBTPD-MRXNPFEDSA-N 484.548 2.455 30 10 JEEE COc1ncccc1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1518548298 HDFOKBMKGXJRQT-HXUWFJFHSA-N 482.566 2.194 30 10 JEEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCN1CCSCC1 1539025241 GQIRRCININDJJN-QFIPXVFZSA-N 467.687 2.150 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1CC(O)(CC)CC)[C@@H]1CCS(=O)(=O)C1 1539230320 LSTJEGIYTAYNEM-QGZVFWFLSA-N 464.563 2.174 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC(C)(C)N2CCOCC2)CC1 1539436470 TYSIIAFYMOSYDZ-UHFFFAOYSA-N 473.021 2.473 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCNC(=O)[C@@H](C)CCC)CC1 1539438152 PPDTVUHFURJVDL-SFHVURJKSA-N 453.547 2.161 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2cnc(C)s2)CC1 1539468633 GVUGMBWGTBOHJU-HSZRJFAPSA-N 472.615 2.098 30 10 JEEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1539533359 OZJGQEHUGQZXBV-LJQANCHMSA-N 475.640 2.315 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(OCc2ccccc2)CC1 1539705468 VFVDIMXDDDNMRS-OAQYLSRUSA-N 475.615 2.373 30 10 JEEE C=CC1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCS(C)(=O)=O)CC1 1539877872 IYEPCHQRPYJWGV-UHFFFAOYSA-N 452.602 2.186 30 10 JEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2c(F)cccc2F)CC1 1539983540 ZAXODTHUBSPBMD-HNNXBMFYSA-N 482.557 2.095 30 10 JEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(N2CCCNC2=O)CC1 1540858007 AQVKLENLHCZZII-SFHVURJKSA-N 475.594 2.157 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1540865111 VWXICFLQNRMNNU-QGZVFWFLSA-N 474.512 2.440 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2nncn2CC)C1 1540896631 PSCIQRFGBLEPRZ-KSZLIROESA-N 472.594 2.490 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1540902845 SAXAYMUUYOLFHR-JKSBSHDWSA-N 481.619 2.224 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1540903858 IXMZRPGRHHHNFO-MOPGFXCFSA-N 453.653 2.015 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCCN(c2ncccc2F)CC1 1540904237 KOQDWSZVOOXPTI-UHFFFAOYSA-N 485.589 2.116 30 10 JEEE C[C@H](C#N)CN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCC(=O)N1CCCCCC1 1541109605 ICOLSBLGKUOASU-GOSISDBHSA-N 462.562 2.309 30 10 JEEE CCN(CCn1c(CN2CCCC2=O)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1)C(C)C 1547595214 GPGOTOVAEHGOON-UHFFFAOYSA-N 478.645 2.325 30 10 JEEE COCCC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1555416147 FWASCUXGONLHOO-UHFFFAOYSA-N 477.569 2.448 30 10 JEEE C#CCCCCn1c(C(C)C)nnc1N1C[C@@H]2[C@@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1587702232 QUFWSMNYROKTGS-SQNIBIBYSA-N 465.620 2.332 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1cccnc1OCC(F)F)[C@@H]1CCS(=O)(=O)C1 1588044923 CWBCMHNGOPXGQT-QGZVFWFLSA-N 488.520 2.054 30 10 JEEE C#CCN(c1nnc(CC2CCCC2)n1CC1(COC)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1588064666 MQHNJELYAYNFNP-HXUWFJFHSA-N 464.632 2.081 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](c2ccsc2)N(CC)CC)CC1 1588813284 WOUFKCCIHIETKA-NHCUHLMSSA-N 490.699 2.080 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2nnc(C(C)(C)C)s2)CC1 1588930099 NLPWRARIYJIFSY-QGZVFWFLSA-N 471.631 2.335 30 10 JEEE C=C(C)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)[C@H](C)CS(=O)(=O)CC 1589715672 PPABXEFVAUOWSI-OAHLLOKOSA-N 468.649 2.382 30 10 JEEE C=CC[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCS(C)(=O)=O)c1ccccc1 1594545532 UIISSKNCTCNKDI-OALUTQOASA-N 466.629 2.021 30 10 JEEE C=CCCOCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1594829167 DQHIEGCEFHBKCU-QZTJIDSGSA-N 474.606 2.310 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(NC(=O)Nc2ccccc2)CC1 1595544911 NRTMPLPYSWNVRR-GOSISDBHSA-N 467.574 2.265 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCN2CCCS2(=O)=O)C1 1595688401 IKRSCKDAUJHECH-SFHVURJKSA-N 483.541 2.363 30 10 JEEE C=CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@@H](CNC(C)=O)C1 1595905691 OGWWDIPXUDOMOS-IPMKNSEASA-N 451.637 2.457 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](C)c2ccc(S(=O)(=O)CC)cc2)s1 1623790682 MVLAUFMPGAROSG-AWEZNQCLSA-N 456.611 2.426 30 10 JEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1C 1627002083 BWOLAFZKXCJTCT-MRXNPFEDSA-N 457.980 2.350 30 10 JEEE C#CCC1(NS(=O)(=O)c2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc2)CCOCC1 1657027473 ZKOIBOMYCSOWCG-QZTJIDSGSA-N 454.614 2.204 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](OC(C)C)c2ccccc2OC)CC1 1690108974 BHDWTFVMEVRBKT-HSZRJFAPSA-N 480.613 2.444 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1690236043 HQWNTBAGCOQYTR-UEXGIBASSA-N 467.574 2.402 30 10 JEEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCCC[C@@H](SC)C1 1690668753 IAKNXSCMTMLPCC-MRXNPFEDSA-N 477.660 2.262 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1690676223 UBNZJODVNAPCEI-CYFREDJKSA-N 455.559 2.160 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 1690720961 WDSFKTWNOBVLSG-KRWDZBQOSA-N 476.603 2.292 30 10 JEEE CC(C)C(=O)NCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1691521442 AGHHBZXHZPDALH-GOSISDBHSA-N 491.575 2.157 30 10 JEEE CO[C@@]1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)CCOC1 1697227851 HDQOGAPTUOPDLJ-NBGIEHNGSA-N 498.584 2.352 30 10 JEEE COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2C[C@H](C)C[C@@H](C)C2)CC1 1697707758 HJAXIXQKKVKJPP-NHCUHLMSSA-N 479.629 2.480 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC[C@H](C)c1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1705558714 GPCYWOJHIXFHSF-AZUAARDMSA-N 487.626 2.245 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ccc(Cl)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1705566241 MNXUTDRWOXJRJK-MRXNPFEDSA-N 472.958 2.072 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@]2(N(C)C)CCSC2)CC1 1705649742 DRSRUFUFJVWLFT-QHCPKHFHSA-N 487.699 2.037 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCCO2)CC1 1705650956 DYBLAJXSRAGXAX-QFIPXVFZSA-N 462.554 2.264 30 10 JEEE C#CCSCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCCN(C(C)=O)CC1 1705655715 QCSZQTHLZJBWPL-UHFFFAOYSA-N 473.599 2.396 30 10 JEEE C=C(Cl)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCN(C(C)=O)CC1 1705755077 LKKHCIIYMZFIQM-QGZVFWFLSA-N 468.986 2.398 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1705905157 LYZCSYCNGAQUFQ-UHFFFAOYSA-N 480.613 2.409 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nc2cccc(Cl)c2n1C 1706074965 HKERFDBYCRSJQT-UONOGXRCSA-N 461.979 2.364 30 10 JEEE CCn1cnnc1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@](C)(C#N)C1 1710195501 BJPBHCIIXRZITL-NRFANRHFSA-N 454.560 2.138 30 10 JEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2c(F)cccc2OC)CC1 1722308844 QYMCCUKPAXFKHF-QGZVFWFLSA-N 478.594 2.166 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCC(F)(F)F)CC1CC1 1722332194 FXILUUSNHOSRFE-MRXNPFEDSA-N 463.526 2.193 30 10 JEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(SC)CCOCC1 1722346746 WGTUGMWFNKEEAV-UHFFFAOYSA-N 463.629 2.177 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H](c1ccccc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1722360205 FASANEVAQVUPSF-YADHBBJMSA-N 464.595 2.270 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@](C)(O)C(C)C)CC1 1722443911 PSTSTQBCQMYNFD-NRFANRHFSA-N 477.407 2.409 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1c(OC)cc(OC)cc1OC 1722467614 UIOPQMVIRRSTPK-WAIKUNEKSA-N 491.614 2.149 30 10 JEEE C=C(Br)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC2CCOCC2)CC1 1722477125 BZFGMPNEBSGLDQ-UHFFFAOYSA-N 490.406 2.383 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN([C@H](C)c2nc(CC)no2)CC1 1722492835 DQCIQNNKYLYJIM-GGPKGHCWSA-N 486.621 2.226 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1722494106 MORPUMMHPWJTJC-ZWKOTPCHSA-N 461.611 2.028 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@@H](CNC(C)=O)C1 1722511336 YCYZGWSTXHMDQO-STSQHVNTSA-N 475.540 2.470 30 10 JEEE C=CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@]2(CCOC2)C1)c1ccccc1 1722595705 YLSYMDTYSZFLRS-NOXFTYBFSA-N 475.615 2.244 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H]2CCCOC2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1722707563 SGQXKAHIRKIXGQ-ICSRJNTNSA-N 475.615 2.255 30 10 JEEE CC(C)[C@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)C[C@H](C)C#N)N1CCOCC1 1722862124 GSSYLPCQPCDRSB-NQIIRXRSSA-N 474.631 2.301 30 10 JEEE CC(C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(S(C)(=O)=O)CC1)N1CCOCC1 1723109215 DBDCTTLGYYAWSE-QFIPXVFZSA-N 486.642 2.187 30 10 JEEE CCN1CCN(C[C@@H](C)Cn2c(COc3cc(C)ccc3C)nnc2N2CCO[C@H](C#N)C2)CC1 1728632917 GWMMRKKICZZAPC-FYYLOGMGSA-N 481.645 2.476 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CC2(C)CCOCC2)c1 1740562140 GYSQNJKWURZJLB-IBGZPJMESA-N 450.543 2.102 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2CC(C)(C)COC)c1 1740564256 GOKFVUPJVBSBSW-UHFFFAOYSA-N 452.559 2.129 30 10 JEEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1740581253 SXVBATDPEXIZRW-MJGOQNOKSA-N 454.962 2.237 30 10 JEEE C#CCCCn1c(N2CCN(c3nc(C)cc(OC)n3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1740597327 RYUPSIFLLDYCGK-XMMPIXPASA-N 469.590 2.166 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1Cc1ccccc1C)[C@@H]1CCS(=O)(=O)C1 1740615832 LZZRBRHALAKOCO-HXUWFJFHSA-N 457.600 2.180 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1CCc1ccncc1)[C@H]1CCS(=O)(=O)C1 1740619688 QRAOVLVLSNOBTN-FQEVSTJZSA-N 481.578 2.227 30 10 JEEE C#CCN(c1nnc(-c2ccccc2)n1CCCN1CCCCCC1=O)[C@@H]1CCS(=O)(=O)C1 1740621160 UFJQIHVGRKODLR-OAQYLSRUSA-N 469.611 2.365 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1C[C@@H](c1cccc(C)c1)N1CCOCC1 1740644596 MWUHKZXCMYCOFD-QHCPKHFHSA-N 462.598 2.261 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H]2CCN(CC(F)(F)F)C2)CC1 1740706292 RNGSTFAFFUKVTB-MJGOQNOKSA-N 482.551 2.022 30 10 JEEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)NCCCOC(C)C)CC1 1740743558 ZBEDYHXFRUATDL-QGZVFWFLSA-N 497.438 2.286 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCC2(COC)CCC2)CC1 1740839045 FQEBUDPKXQNXIU-IBGZPJMESA-N 467.636 2.220 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCNS(=O)(=O)Cc1ccon1 1740905457 XUJNQJBZTNKDRI-KRWDZBQOSA-N 495.606 2.080 30 10 JEEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1740960840 CWVHBGUIBGDMSM-UHFFFAOYSA-N 499.522 2.145 30 10 JEEE CC(C)(C)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCNS(=O)(=O)Cc2ccon2)CCO1 1741179252 AEYDQRULUJOTFA-HXUWFJFHSA-N 499.597 2.176 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2Cc2c(F)cccc2Cl)CC1 1749016020 WOYOCNVKQBXPHD-UHFFFAOYSA-N 472.952 2.207 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(c2nccs2)CC1 1749119145 NXLOHNDJLHRWNM-BZSNNMDCSA-N 495.675 2.043 30 10 JEEE C=CCOc1ccc(Cn2c(C(C)C)nnc2N2CCN(C(=O)C(=O)N3CCCC3)CC2)cc1 1749682900 CHSREXNBRUYSFO-UHFFFAOYSA-N 466.586 2.286 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCCN(C(=O)C(C)C)CC1 1749729542 MYERLRNTHXMCPQ-UHFFFAOYSA-N 475.615 2.249 30 10 JEEE C#CCCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1760133417 DAIHCQHBQAYGBJ-GOSISDBHSA-N 478.557 2.298 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccc(C)cc1SC)[C@@H]1CCS(=O)(=O)C1 1760188309 JMLDDHNRNXAEDX-LJQANCHMSA-N 470.624 2.384 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@@H]1CCOC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1760191064 ADLJOKFOCBUULD-ACRUOGEOSA-N 472.611 2.465 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccc(OC)cc2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1760209535 DNKOKDXHFYKAHA-OFNKIYASSA-N 497.621 2.143 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1Cc1ccccc1CN1CCC[C@@H]1CO 1760217324 YGXWJNOUIQCMIQ-HSZRJFAPSA-N 455.566 2.203 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1CCCCN1CCN(CC)CC1 1760217467 BZGRXYHMEMOYCZ-UHFFFAOYSA-N 486.624 2.475 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccc(Cl)c3)n2C[C@@]2(O)CCOC2)n1 1760253064 VGMJEFHWAIZWHE-QHCPKHFHSA-N 470.961 2.233 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2C[C@@H](OC)C(C)C)CC1 1760269191 BDVXYLLMPVDKJU-YADHBBJMSA-N 467.570 2.427 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 1760272530 NLSDZMZMWUTLQJ-UHFFFAOYSA-N 484.607 2.332 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(=O)NCC(F)(F)F 1760330650 KYLILFYNDFEVDU-UHFFFAOYSA-N 488.536 2.276 30 10 JEEE C=CCn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1760509222 PUEAPTRHMKOFHR-UHFFFAOYSA-N 482.585 2.246 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1760526079 CXUMWQYQQDEOHB-UHFFFAOYSA-N 483.617 2.406 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@@H](CCC)C1 1760556961 VJIVJBPFRSVWRO-IBGZPJMESA-N 458.588 2.123 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2OC)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1760558460 PNNCTPJZVDRYQY-RBUKOAKNSA-N 475.615 2.139 30 10 JEEE CC(=O)N(C)C1CCN(c2nnc(-c3ccccc3F)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1760574736 NBSRRDOZCIHAJN-XTQSDGFTSA-N 481.532 2.058 30 10 JEEE CCn1cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC=C(c3ccc(C#N)cc3)CC2)cn1 1765321753 CUBMIJABERFVMD-KRWDZBQOSA-N 480.598 2.318 30 10 JEEE COc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@@H](C)CC#N)cc1Cl 1768671358 GNIMYWFVGZYEKU-KSSFIOAISA-N 482.994 2.060 30 10 JEEE CNC(=O)CCCN(C)c1nnc(-c2cccc(C#N)c2)n1CC1(O)CCN(C(C)C)CC1 1769287122 FRDWKRYJNWMCJW-UHFFFAOYSA-N 453.591 2.014 30 10 JEEE COCCN(CCC#N)c1nnc([C@@H]2COc3ccccc3O2)n1CC1(O)CCN(C(C)C)CC1 1769845099 HBEPVMTWJCHBLH-QFIPXVFZSA-N 484.601 2.392 30 10 JEEE C[S@](=O)Cc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@](C)(C#N)C2)cc1 1771371687 DATRPHQJIUOCAT-OXNMKTKCSA-N 475.640 2.237 30 10 JEEE N#Cc1ccccc1S(=O)(=O)Nc1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)nc1 1858293064 DJZVZCXITYVAPH-UHFFFAOYSA-N 459.465 2.463 30 10 JEEE C=CCNC(=O)[C@@H]1C[C@H](O)CN1C(=O)c1ccc2nc(Cc3ccc(OC)c(OC)c3)[nH]c2c1 1860974211 ZOPVENBZOWKMAO-PXNSSMCTSA-N 464.522 2.049 30 10 JEEE C=CCNC(=O)[C@H]1C[C@H](O)CN1C(=O)c1ccc2nc(-c3cccc(OC)c3OC)[nH]c2c1 1861401097 QXIJTLAYKZDUQP-HNAYVOBHSA-N 450.495 2.125 30 10 JEEE COc1cc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCCN2CCOCC2)cc(OC)c1O 1862600694 PNWXXAXWYKXVBB-JOCHJYFZSA-N 498.532 2.416 30 10 JEEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@@H]2c2cc(OC)c(OC)c(OC)c2)c1 1862709521 YATSJNQCQLZUEO-OAQYLSRUSA-N 484.505 2.435 30 10 JEEE COc1cc(-n2nnc(C#N)c2NC(=O)CN2C(=O)COc3ccc(Cl)cc32)cc(OC)c1OC 1870156606 VSLXSRIIGQNFEK-UHFFFAOYSA-N 498.883 2.182 30 10 JEEE C=CCn1cc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c(=O)cc1CN1CCN(CCO)CC1 1870741572 ULBGCQUMOPEDFG-UHFFFAOYSA-N 495.407 2.469 30 10 JEEE C=CCN(CC=C)c1nc(=NCCN2C(=O)CSC2=O)nc(Nc2ccc(OC)cc2)[nH]1 1871564478 MKRQQHZBNIIEET-UHFFFAOYSA-N 455.544 2.331 30 10 JEEE CCN1CCN(CC#CCOC2CCN(C(=O)[C@@H](C)Cn3cnc4c3CCCC4)CC2)CC1 1890082563 UQNINYGZQVNNKR-QFIPXVFZSA-N 455.647 2.047 30 10 JEEE CN1CCN(CC#CCOC2CCN(C(=O)c3cccc([N+](=O)[O-])c3Br)CC2)CC1 1891264775 RWVGCNMPEYGHQO-UHFFFAOYSA-N 479.375 2.229 30 10 JEEE N#Cc1nccnc1OCC1CCN(C(=O)CN2C(=O)c3cccc4cccc(c34)C2=O)CC1 1891684368 SGTOLQGVYMZUHD-UHFFFAOYSA-N 455.474 2.415 30 10 JEEE N#Cc1nc(-c2cccs2)oc1N1CCC(C(=O)N2CC[C@H](C(=O)N3CCOCC3)C2)CC1 1892020231 DSZIALSEBCQDIV-KRWDZBQOSA-N 469.567 2.198 30 10 JEEE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@@H](CNS(=O)(=O)N2CCC[C@H](C#N)C2)C1 2140608175 WUPOXDRRXHZRDG-RTWAWAEBSA-N 477.631 2.178 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@@H](NC(=O)c2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2255652787 ZHIZWOGGEQLOPF-AWEZNQCLSA-N 452.382 2.413 30 10 JEEE CN(C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1)[C@H]1CC[C@H]1NC(=O)OCc1ccccc1 2255657351 NYXSXZMKKANUJO-MOPGFXCFSA-N 468.363 2.249 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CN(S(=O)(=O)c3cscc3B3OC(C)(C)C(C)(C)O3)C[C@@H]21 2255950321 LGKLSAGMSUMWTQ-YWVIFJGQSA-N 470.422 2.191 30 10 JEEE CC(C)(C)OC(=O)N1CCCC[C@H]1CC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2256617584 KLYIGAZPJOMVEQ-ZDUSSCGKSA-N 452.386 2.377 30 10 JEEE CC(C)(C)OC(=O)NC1(CNC(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2F)COC1 2266981814 LKNLDPPAUOBRED-UHFFFAOYSA-N 450.316 2.148 30 10 JEEE Cc1c(C(=O)N(C)CC(C)(C)NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267143415 HTACGRYANFUKGB-UHFFFAOYSA-N 450.389 2.403 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)c(F)c2)C1 2267365585 RNLKSFKUTNABME-CQSZACIVSA-N 470.372 2.413 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@](C)(NS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2267467738 FSFQZAQRHCNTAT-HXUWFJFHSA-N 487.453 2.261 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]1NS(=O)(=O)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2267470393 JWEZJRAXRXYLPX-MSOLQXFVSA-N 466.409 2.461 30 10 JEEE CCc1nc(C(=O)NN2CCN(C(=O)OC(C)(C)C)CC2)c(B2OC(C)(C)C(C)(C)O2)s1 2267486785 MHNFINYGDQVRLK-UHFFFAOYSA-N 466.413 2.202 30 10 JEEE CC(C)(C)OC(=O)NCC[C@H]1CN(C(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)CCO1 2267552826 JXGSXVNLPGWVEM-HNNXBMFYSA-N 450.341 2.335 30 10 JEEE CN(Cc1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(=O)[C@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C 2268633836 UXDLOMLVOLUELY-NVXWUHKLSA-N 466.409 2.376 30 10 JEEE CC[C@@](COC)(NC(=O)OC(C)(C)C)C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2268642945 VFULWRACXJZNOY-NRFANRHFSA-N 469.413 2.378 30 10 JEEE CC(C)(C)OC(=O)N[C@H](Cc1cccs1)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2268720468 WFJLLDGQPYDYNW-CYBMUJFWSA-N 480.421 2.395 30 10 JEEE CC(C)(C)OC(=O)NC1(C(=O)NCc2sccc2B2OC(C)(C)C(C)(C)O2)CC(CO)C1 2268720515 WPNVYUXMERZREO-UHFFFAOYSA-N 466.409 2.329 30 10 JEEE CC(C)(C)OC(=O)N1CCCN(CCNC(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)CC1 2281830885 RHISQAWBJQFBND-UHFFFAOYSA-N 463.384 2.251 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(F)c(C(=O)NC2(CO)CN(C(=O)OC(C)(C)C)C2)c1 2282019735 QALWTEWBHREODM-UHFFFAOYSA-N 464.343 2.145 30 10 JEEE Cn1cc(C(=O)N2CC[C@H](CNC(=O)OC(C)(C)C)C2(C)C)nc1B1OC(C)(C)C(C)(C)O1 2282050555 CFPXUDKPYXXWSU-OAHLLOKOSA-N 462.400 2.485 30 10 JEEE CC(C)(C)OC(=O)NCCc1nc(NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)n[nH]1 2282339458 UUUKJGNZEDCSAL-UHFFFAOYSA-N 499.424 2.033 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCO[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2282593639 SZYGZPLHEAUCMW-LSDHHAIUSA-N 479.408 2.211 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1[C@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2 2282606583 FDSOOTHOOQHTJF-ZMSDIMECSA-N 460.384 2.187 30 10 JEEE C[C@H]1CCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)nn2C)CCN1Cc1ccccc1 2282858257 UKCBUPGKANKFRZ-SFHVURJKSA-N 474.436 2.004 30 10 JEEE Cc1ccc(NC(=O)[C@H](CCC(N)=O)NC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2284044026 ZPJMMIHWKTTZPQ-KRWDZBQOSA-N 461.368 2.392 30 10 JEEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@@H](COCc3ccccc3)CC(=O)O)cc2)OC1(C)C 2284408513 ADEYVNWNSJQDIO-LJQANCHMSA-N 475.372 2.324 30 10 JEEE CC(C)(C)OC(=O)N1CC(OCCNC(=O)c2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2315418641 NQXHBOUFXCHUIB-UHFFFAOYSA-N 452.382 2.413 30 10 JEEE COc1cc(C=Nn2c(CNC(C)=O)nnc2SCC(=O)OCC(C)C)cc(Cl)c1O 2330784359 ZNFMFOCIUFESHY-UHFFFAOYSA-N 469.951 2.455 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CC[C@H]2C[C@H]1CN2C(=O)OC(C)(C)C 2362347096 ARMLZUMMFJZJNW-HRCADAONSA-N 460.384 2.237 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)C1 2362356974 KLCUSSZZTNUTCW-JKSUJKDBSA-N 462.400 2.485 30 10 JEEE CCO[C@@H]1CN(C(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C[C@H]1CNC(=O)OC(C)(C)C 2362573967 HQWAIDAESCSZLI-GDBMZVCRSA-N 481.424 2.444 30 10 JEEE CS(=O)(=O)C1(C#C[C@H](NN)c2ccc(Br)cc2I)CC1 2367857168 YPVGGUWATCFQTK-LBPRGKRZSA-N 469.142 2.139 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4ncccn4)cc3)cc2C1=O 16024903 UVSOTUCQXGDETA-UHFFFAOYSA-N 463.475 2.312 30 10 JEEE Cc1ccc(S(=O)(=O)NC[C@H]2CCCN(S(=O)(=O)c3ccc(F)c(C#N)c3)C2)cc1 488791574 LILWAPJBJXXZAL-MRXNPFEDSA-N 451.545 2.385 30 10 JEEE C=CCn1c(SCC(=O)N[C@H]2CCN(S(C)(=O)=O)C2)nnc1-c1ccc(Cl)cc1 1130448081 IPRDFRKTFWVJAO-HNNXBMFYSA-N 455.993 2.027 30 10 JEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCc1cccc(C(=O)NC)c1 1147584716 DPURPXXZAMCORX-IBGZPJMESA-N 456.568 2.002 30 10 JEEE C#CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(C(C)=O)C[C@@H]1C 1286337434 HVRPCFAYKJLKOA-INIZCTEOSA-N 457.604 2.017 30 10 JEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CN(CC(C)C)CCO1 1286375947 AWSWSMMVJDEZCA-WOJBJXKFSA-N 476.622 2.013 30 10 JEEE C#CCN(C)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1C[C@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1286379169 IWUQCUCEJHDVSK-UFYCRDLUSA-N 469.590 2.234 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1CCc1ccc(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1286387028 MXGCPGALWQHUKP-IBGZPJMESA-N 483.594 2.170 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H]1CCSC1(C)C)[C@@H]1CCS(=O)(=O)C1 1286391305 HBSQIJOGEYLXGZ-RBUKOAKNSA-N 459.641 2.422 30 10 JEEE C#CCN(CCOC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCCC(=O)N(C)C 1286468111 ZAZYAKCPJFZZEB-UHFFFAOYSA-N 476.622 2.347 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccccc3Br)n2CCOCCN(C)C)CC1 1286476404 WRNFMCXLCPXHBI-UHFFFAOYSA-N 461.408 2.041 30 10 JEEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCCN(C(=O)c2ccsc2)CC1 1286600861 DSRAYEFAXMDAEW-UHFFFAOYSA-N 460.604 2.423 30 10 JEEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC2(CCC2)C[C@@H]1CC 1286710863 FIVBLZQAQHPORB-OALUTQOASA-N 467.636 2.363 30 10 JEEE C=CCn1c(-c2cccc(Br)c2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1286770019 LNDVAKQCTOOIHR-OAHLLOKOSA-N 457.336 2.426 30 10 JEEE C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 1286779076 NFOSXGVAZXBXCO-RTBURBONSA-N 469.652 2.260 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@H](Oc2ccccn2)C1 1286780264 SEYCZXMPMPPRBK-SFHVURJKSA-N 464.526 2.317 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC(NC(C)=O)CC1 1286822575 GLRJCXCLMAJEED-UHFFFAOYSA-N 475.615 2.180 30 10 JEEE CC(=O)N1CCC[C@H](Cn2c(C3CCN(c4ncccn4)CC3)nnc2N(C)[C@H](C)CC#N)C1 1286859640 HUZNCZFRPLUSTN-QUCCMNQESA-N 465.606 2.449 30 10 JEEE Cc1ccc(S(=O)(=O)NCCn2c(C)nnc2N2CCN(c3ccc(C#N)cc3F)CC2)s1 1289855542 DXSXWYVMKKWDAS-UHFFFAOYSA-N 489.602 2.272 30 10 JEEE Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 1290791821 CDFIMQNZOQSYAG-CQSZACIVSA-N 454.512 2.401 30 10 JEEE CCO[C@]1(c2nnc(N3CCN(c4ccc(C#N)cn4)CC3)n2CCN(C)[C@@H](C)CC)CCOC1 1296648794 CJCXMPNPLGRDOQ-NBGIEHNGSA-N 482.633 2.254 30 10 JEEE C=CCOC[C@H](NC(=O)CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)C(=O)OC 1297030010 QWSPUCMRSGJSKG-CNYBTUBUSA-N 452.529 2.277 30 10 JEEE C#CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1300391903 VJQDNKPVUBCOOH-IBGZPJMESA-N 465.558 2.400 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1CCc1ccc(NC(C)=O)cc1)[C@H]1CCS(=O)(=O)C1 1300483854 MPLBIWOTCHQEIK-FQEVSTJZSA-N 457.600 2.403 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(Oc2ccccc2)nc1 1300537183 AUYBOPXSGDLCCR-HXUWFJFHSA-N 461.547 2.489 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CC1(O)CCN(C(C)C)CC1 1300647167 ARYCWZHQPSSPFV-NRFANRHFSA-N 468.577 2.243 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@]2(OC)CCOC2)CC1 1300731800 VNGGSLDOKVBCLE-SANMLTNESA-N 481.597 2.245 30 10 JEEE C#CCSCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(C(=O)NC)CC1 1300743293 LNXIGOMEYMBUBT-UHFFFAOYSA-N 450.515 2.374 30 10 JEEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1301027116 ILBZUNNSWWWPLG-UHFFFAOYSA-N 464.357 2.017 30 10 JEEE C=C(Cl)Cn1c(CCCc2ccccc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1301050989 XFEGIVFEPMNWTO-UHFFFAOYSA-N 458.994 2.379 30 10 JEEE C=CCN(c1nnc(CCc2ccc(OC)cc2)n1CC1(O)CCS(=O)(=O)CC1)C1CC1 1301329312 BWKLQHODKZQVIJ-UHFFFAOYSA-N 460.600 2.166 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC(C(=O)c2ccc(O)cc2)CC1 1301507089 WFMVRSQLBJGXNM-UHFFFAOYSA-N 460.538 2.371 30 10 JEEE CS(=O)(=O)C1(CNS(=O)(=O)c2cc(Br)c(C#N)cc2F)CCCCC1 1309687802 DTNGDOZASWTUDD-UHFFFAOYSA-N 453.355 2.486 30 10 JEEE CN(C)S(=O)(=O)c1ccccc1Cn1c(-c2cccnc2)nnc1N1CC[C@](F)(C#N)C1 1314674071 HCMAKVBLWSUMTI-NRFANRHFSA-N 455.519 2.081 30 10 JEEE COCC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC2CCOCC2)CC1 1315961821 ASGYFVIXIWAHMT-RUZDIDTESA-N 468.602 2.153 30 10 JEEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@H](C)CN1CCN(CC)CC1 1358947259 XHHVKGAGOQXXPS-NRFANRHFSA-N 490.656 2.408 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@@](C)(O)c1ccsc1)[C@H]1CCS(=O)(=O)C1 1358963779 OAGDBLRPEFGUIF-LAUBAEHRSA-N 450.630 2.463 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CCOCc1ccccc1)[C@H]1CCS(=O)(=O)C1 1358965197 PVZSBVFBRCYIFW-QFIPXVFZSA-N 465.579 2.107 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2cccc(F)c2)C1 1359056654 JBHLOLUIZUMJOR-PKOBYXMFSA-N 464.588 2.264 30 10 JEEE C#CCSCCn1c(N2CCN(C3=NCC(C)(C)S3)CC2)nnc1[C@]1(OCC)CCOC1 1359061523 FBYPTQIHHAJRMJ-QFIPXVFZSA-N 478.688 2.300 30 10 JEEE C=C(Br)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1359078383 ADXSFIFVEKTJFK-AWEZNQCLSA-N 471.377 2.494 30 10 JEEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CCN(CCOC)[C@H](CCC)C1 1359086638 DMZVOIPZDXFIAL-QGZVFWFLSA-N 469.428 2.246 30 10 JEEE C=C(C)Cn1c(Cc2ccccc2OC)nnc1N1CCN(Cc2nc(COC)no2)CC1 1359122655 KBZKTLQLHZUBDR-UHFFFAOYSA-N 453.547 2.305 30 10 JEEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(I)cc1 1359240263 KATYRDIHAKUHJB-AWEZNQCLSA-N 472.352 2.455 30 10 JEEE C=CCn1cc(CNC(=O)[C@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc(C)cc2)nn1 1451881603 RFPNXOMJRWYDJD-JOCHJYFZSA-N 451.552 2.205 30 10 JEEE C=CCN(C(=O)c1cnn(C(C)(C)C)c1I)[C@@H]1CCS(=O)(=O)C1 1456081191 GRURSQAKWGOXII-LLVKDONJSA-N 451.330 2.058 30 10 JEEE CCN1C[C@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC(=O)N(CCOC)C2)C[C@H]1C 1502249187 IAKCSOWJOYSLQF-SVFBPWRDSA-N 465.602 2.231 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@@H]1N(C)CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1507634047 IKYKUNSTVIOHKG-UXHICEINSA-N 490.699 2.381 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@H]1CC=CCO1)[C@H]1CCS(=O)(=O)C1 1507640073 ONSUHPIIVIOXLL-PZJWPPBQSA-N 456.568 2.137 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1Cc1ccc(I)cc1 1507701820 BNBGEQDANDJHMA-UHFFFAOYSA-N 481.338 2.155 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 1507712484 GEUDBGULHQXFGF-ROUUACIJSA-N 472.590 2.105 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@@H]2CCN(CC(F)(F)F)C2)CC1 1507740553 UZERDJITZKMJEA-LJQANCHMSA-N 489.546 2.114 30 10 JEEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1507755577 GBRJMYLGJSIQRV-FQEVSTJZSA-N 481.670 2.200 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1cnn(C)c1C 1507765210 ZUZPRJBNUQHXPL-HSZRJFAPSA-N 467.599 2.278 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCN(C)CCOC 1507765928 XONMPQOBWLATKM-RUZDIDTESA-N 463.586 2.245 30 10 JEEE C=C(Br)Cn1c(-c2noc3c2COCC3)nnc1N1CCC(C(=O)OC)CC1 1507781672 FVNLXBJZCQYLLI-UHFFFAOYSA-N 452.309 2.304 30 10 JEEE C=C(Cl)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN([C@@H](C)C(=O)NCCCOC)CC1 1507859876 GHHXNRFMXMAPCX-SFHVURJKSA-N 471.993 2.232 30 10 JEEE C=CCn1c(COc2ccccc2OC)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1508070923 MSSKYBNGFWXOHS-QGZVFWFLSA-N 451.531 2.449 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Br)nnc1N(C)CCN1CCOCC1 1508135226 GAFYYDXCLFMRFD-UHFFFAOYSA-N 498.447 2.077 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCC1(O)CCOCC1 1508642194 GTUSRABBKXYPJD-MSOLQXFVSA-N 476.578 2.010 30 10 JEEE CC(C)C[C@@H](Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@@](F)(C#N)C1)N(C)C 1509107919 ICNPUYQNMBWCRG-SIKLNZKXSA-N 452.542 2.339 30 10 JEEE CN(CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@@H]2C1)CC(F)(F)F 1517291118 HDIJFWBNCGFQPL-KRWDZBQOSA-N 463.464 2.342 30 10 JEEE CN(CCN1CCOCC1)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCC[C@@H](O)C1 1517330829 BTCSNXMDRLEKSH-LEWJYISDSA-N 454.575 2.048 30 10 JEEE COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)C1CCN(c2oc(C)nc2C#N)CC1 1524095157 CGRFEIYEHANAFG-UHFFFAOYSA-N 459.528 2.159 30 10 JEEE C#Cc1cccc(N(CC(=O)NC)C(=O)c2ccc3ncc(I)n3c2)c1 1527164670 LEOKINVYILTDKL-UHFFFAOYSA-N 458.259 2.313 30 10 JEEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1539029376 IBKQFCJIIZNFOC-RDJZCZTQSA-N 484.548 2.381 30 10 JEEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@H]1CCOC[C@H]1OC 1539172465 ZVGVDIIAFCPZEM-YLJYHZDGSA-N 450.543 2.357 30 10 JEEE C#CCN(c1nnc(C2CCC2)n1CCCCNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1539223137 ZELQJASZUOMLRA-GOSISDBHSA-N 465.620 2.477 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)CN1CCCC1 1539416353 MNBHLYZNWOILOW-LEWJYISDSA-N 490.649 2.404 30 10 JEEE C#CCSCCn1c(-c2cccc(Cl)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1539497583 LRVPUELQGYCVCH-UHFFFAOYSA-N 454.021 2.437 30 10 JEEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1539504742 NPIWKHHWRXIHFJ-UHFFFAOYSA-N 469.036 2.126 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C(C)(C)C)C1 1539631663 MQBDYMHRPKMPBB-YRXWBPOGSA-N 452.621 2.413 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](NC(C)=O)C1 1539647057 VCVBNJWZIUXRJH-LQWHRVPQSA-N 472.615 2.356 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1539744382 KETHLZOMRLPENG-IBGZPJMESA-N 453.522 2.159 30 10 JEEE C=C(C)COCCn1c(COc2ccccc2F)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1539758081 BXOWAXBXKYBETK-UHFFFAOYSA-N 472.521 2.110 30 10 JEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC(=O)Nc1cccc(Cl)c1C 1540072771 NMMQENCQWUGUBC-GOSISDBHSA-N 497.021 2.224 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc(-c2ccccn2)n1C[C@@]1(O)CCS(=O)(=O)C1 1540180241 KVOMEUFCXCOANX-QHCPKHFHSA-N 453.568 2.125 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(c2ccc(F)cn2)CC1 1540875728 WGNRNYGXROVLDO-UHFFFAOYSA-N 469.496 2.159 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2c(F)cccc2Cl)C1 1540893161 YCNLVDLQLGZHBH-DNVCBOLYSA-N 499.996 2.233 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1540905287 VDQWIENIXJFAKA-FQEVSTJZSA-N 488.589 2.019 30 10 JEEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1540909836 QLECAHVGNLJNTP-PMPSAXMXSA-N 488.680 2.157 30 10 JEEE C[C@]1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(CC#N)CC2)CCCS1 1542017936 CALCAPAOYRNBBZ-FXAWDEMLSA-N 468.649 2.027 30 10 JEEE CNC(=O)C(C)(C)Cn1c(Cc2ccccc2F)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1554375277 FIZCWGPYLJHOGW-KRWDZBQOSA-N 491.575 2.157 30 10 JEEE C=CCNc1ncc(C(=O)N2CC[C@H](N3C(=O)O[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]43)C2)s1 1558066610 VURAILMUPMVPDA-ZNMIVQPWSA-N 463.560 2.396 30 10 JEEE CCN(C(=O)CN1CCCc2cc(C#N)ccc21)c1c(O)nc(=O)n(Cc2ccccc2)c1N 1559869801 FBXXGSKYKCQYSP-UHFFFAOYSA-N 458.522 2.257 30 10 JEEE C#CCCCn1c(Cc2cccnc2)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 1587870340 ZOYWDRSDEITPEM-UHFFFAOYSA-N 463.630 2.494 30 10 JEEE C#CCN(c1nnc(C(C)C)n1C[C@@H]1CN(Cc2ccccc2)CCCO1)[C@@H]1CCS(=O)(=O)C1 1588030087 PILFUZHPPCXNAW-PKTZIBPZSA-N 485.654 2.319 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1CCOc1ccc(F)c(F)c1)[C@H]1CCS(=O)(=O)C1 1588046202 ZOPUABBTBBXYIV-INIZCTEOSA-N 473.505 2.324 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCOc1ccc(F)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 1588050727 UWKVZZRJMFJEDR-MRXNPFEDSA-N 492.964 2.177 30 10 JEEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1588068914 CABUDYNVJDVNFW-LJQANCHMSA-N 483.619 2.253 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccccc2Br)n1CCC(=O)N1CCOCC1 1588117541 KQHDDCBANLSXAB-UHFFFAOYSA-N 456.344 2.029 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CC(F)(F)CO1 1588219248 PEZCTVHDNHMVTR-INIZCTEOSA-N 452.465 2.079 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCS(=O)(=O)NC(C)C)CC1 1588742743 URINPGUQZWZPGA-OAQYLSRUSA-N 488.658 2.118 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCCN2C[C@@H](C)C[C@@H](C)C2)CC1 1588865335 UEEJOPNBLVSJMT-OYRHEFFESA-N 483.686 2.393 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@@](C)(O)c2cccs2)CC1 1588955257 TZDTTZCIFTZIHE-XMMPIXPASA-N 464.595 2.199 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OCC(F)(F)F)nc1 1589151208 UOSZTMDTGNXRSP-IFXJQAMLSA-N 486.520 2.265 30 10 JEEE C=CCC(C)(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C)C(=O)[C@H]1C 1594460678 AHBJWYLJSQMMFF-QGZVFWFLSA-N 474.631 2.465 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(CN2CCOCC2)c1 1595218278 ICWMWEKKXYHNEO-QFIPXVFZSA-N 471.627 2.239 30 10 JEEE C=CCn1c(-c2ccc(CC)cc2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1595350821 WEQSVJPCEVCFAG-UHFFFAOYSA-N 455.588 2.246 30 10 JEEE CC(C)(C)C(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1596964329 CVEPLMKRTPVFBR-JOCHJYFZSA-N 495.628 2.192 30 10 JEEE CCN(CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](C(=O)NC)C1)C1CC1 1615659560 FTYGLKTVOHLGHE-IBGZPJMESA-N 451.575 2.175 30 10 JEEE COCC[C@@](C)(O)Cn1c(Cc2ccccn2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1619778024 HTABBCXIJHXLSY-RUZDIDTESA-N 479.560 2.389 30 10 JEEE COCCN(CCC#N)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1CCOCC1 1619912471 DPVCYSJAKQJERA-UHFFFAOYSA-N 454.579 2.245 30 10 JEEE C#CCCOc1ccc(C(=O)N2CCC(C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)cc1 1623321797 VIOGCAKYTKXLQA-UHFFFAOYSA-N 455.536 2.227 30 10 JEEE C=CC[C@@]1(C(=O)NCc2ccc(S(=O)(=O)CCO)cc2)CCCN1C(=O)OC(C)(C)C 1623469340 TUGYFYMQMJNSRN-QFIPXVFZSA-N 452.573 2.415 30 10 JEEE CC(C)(C)O[C@@H]1C[C@H](NC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)[C@H]1n1cccn1 1634918112 AMKGNBPADKCTBD-UWHLTILDSA-N 450.543 2.352 30 10 JEEE CCOc1cc(NC2CCN(C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC2)ncn1 1679944031 GEZZQLNUYJVBSK-DOTOQJQBSA-N 459.551 2.220 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3noc4c3COCC4)n2CCOCC)c1 1689870104 BPRWZCOQAUVLRV-UHFFFAOYSA-N 450.499 2.099 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1Cc1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 1689984270 MIWZRZDUGOMWLY-QGZVFWFLSA-N 474.974 2.016 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2C[C@H]2CCOC[C@@H]2OC)CC1 1690140386 XENZPFSBRNYMDR-NQIIRXRSSA-N 455.534 2.102 30 10 JEEE C#CCSCCn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1690180740 KWNXJROKGSVCQJ-HSZRJFAPSA-N 474.652 2.453 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)NC(=O)OC(C)(C)C 1690189794 BUBXEPHFGHREFG-YCRPNKLZSA-N 468.624 2.184 30 10 JEEE C=C(Br)Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1690232178 BHBJNWAQAGVXII-IAGOWNOFSA-N 451.369 2.433 30 10 JEEE C=CCn1c(N2CCN(Cc3c(CC)nn(C)c3Cl)CC2)nnc1[C@]1(OCC)CCOC1 1690653568 XQFQKZSSPJDADP-QFIPXVFZSA-N 464.014 2.388 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C)c(Br)c2)nnc1N(C)CCCC(=O)NC 1690663755 DSFBOGJNVRYMGE-UHFFFAOYSA-N 463.380 2.281 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H]2CCS(=O)(=O)C2)C1 1690684821 PFBGNELYYSVUTF-UYAOXDASSA-N 473.599 2.363 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)ccc2C)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1690729279 KQWXFKQCXQYANT-OAQYLSRUSA-N 484.626 2.251 30 10 JEEE CC(C)NC(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@@](C)(C#N)C1 1692550579 CWIVWCPFQMIPQW-DEOSSOPVSA-N 465.606 2.497 30 10 JEEE Cc1cc(Cn2c(C(=O)NC(C)C)nnc2N2CCC(Oc3cccc(C#N)c3)CC2)n(C)n1 1693400852 GUQHSDKXKZOCGC-UHFFFAOYSA-N 462.558 2.426 30 10 JEEE CCCN1CCC(N(C)c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2COCCO2)CC1 1695375479 CEYRDZRTYUHLBR-JOCHJYFZSA-N 454.575 2.455 30 10 JEEE C#CCN(c1nnc(COc2ccccc2OCC)n1CC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1705569008 YEJPWTOWUIXRPB-FQEVSTJZSA-N 488.610 2.309 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2cccs2)CC1 1705640040 BZPQWJCERDDRHG-IBGZPJMESA-N 472.615 2.452 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@H]2CN(CC(C)C)CCO2)CC1 1705642636 BJXIHYDDJBRFQM-HSZRJFAPSA-N 470.593 2.108 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCCN(C)c2ccccc2F)CC1 1705643670 OKQIXXFWRGUAHQ-REWPJTCUSA-N 470.593 2.423 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCN(C)S(=O)(=O)CC 1705669974 CWRMENHMHNYARH-JOCHJYFZSA-N 493.655 2.012 30 10 JEEE C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)COc2ccc(F)cc2)CC1 1705757858 AINUPFXDLBQESL-UHFFFAOYSA-N 476.940 2.020 30 10 JEEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1705762294 UCGSGKKKFXZZRV-JZXOWHBKSA-N 463.970 2.152 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCCOC(C)C)CC1 1705782478 XQYGKXZMHOQSMS-LJQANCHMSA-N 455.625 2.219 30 10 JEEE C=CCCOCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1705826103 NJFCMPPFQOPRBZ-MRXNPFEDSA-N 471.953 2.118 30 10 JEEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 1705829055 GAENIBYJXNRQHT-OALUTQOASA-N 471.537 2.361 30 10 JEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1ccc(C)cc1)N(C)C)C1CC1 1705854867 PYBDDOJHRPASTA-FCHUYYIVSA-N 488.658 2.377 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCN(C)C(C)C)C1 1705922055 FCVLTBRSAUATDD-GOSISDBHSA-N 451.575 2.314 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCO[C@@H](C(F)(F)F)C1 1705932971 PXYZFSJZWVAMRH-QGZVFWFLSA-N 488.488 2.085 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN2C(=O)NC[C@@H]2C1 1705933551 KZIXEVAJZYFULN-CQSZACIVSA-N 485.397 2.067 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 1705937585 YGTVQGZELGVDCO-UHFFFAOYSA-N 486.642 2.236 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CC(=O)N(C)C[C@H]2C)nnc1C1(c2ccccc2)CCC1 1705939505 YNUHCUBTYFCOLK-GOSISDBHSA-N 457.600 2.016 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@H](c2nnc(N3CCC(C#N)CC3)n2CCn2cncn2)C1 1706156308 HZQJGMYJJLQZFR-SFHVURJKSA-N 455.567 2.424 30 10 JEEE CCN(CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](C(=O)NC)C1)C(=O)OC(C)(C)C 1710149449 ACJMSXMJIPKULH-LJQANCHMSA-N 483.573 2.025 30 10 JEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 1722307761 AQBWXEGFLPZSOR-OALUTQOASA-N 487.630 2.250 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1Cc1cccnc1OC)[C@@H]1CCS(=O)(=O)C1 1722361783 JSEXEMRPKXOHBA-LJQANCHMSA-N 451.552 2.332 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC(=O)NCC2CC2)CC1 1722444859 PEUAAOQCXPQGDJ-KRWDZBQOSA-N 482.560 2.049 30 10 JEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC(CC(=O)NC2CCCC2)CC1 1722453541 WQQJHAKPYYUUHG-UHFFFAOYSA-N 460.648 2.448 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(CC(=O)NCC)CC1 1722495901 IKVNVNZHHDHYHK-DVECYGJZSA-N 498.628 2.202 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1722503553 LPOMWQYUGXAGSK-AAIMPIBUSA-N 473.549 2.319 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCOC2)nnc1N1CCC(C(=O)NCCCOC)CC1 1722506736 GAHVLMNEHGUUSK-HBMCJLEFSA-N 461.607 2.132 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@@H](CN2CCOCC2)C1 1722695599 JLFQYPZCKUECDH-KRWDZBQOSA-N 474.993 2.068 30 10 JEEE CC(C)n1nc(-c2nnc(N(C)[C@@H](C)CC#N)n2C[C@]2(O)CCN(C)C2)c2ccccc2c1=O 1723771529 GEIYNOFSHGSTGK-XDHUDOTRSA-N 464.574 2.041 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1cccnc1OCC 1740540854 ZWKDSDRDDOIETM-QGZVFWFLSA-N 468.583 2.495 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCO[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1740620816 RRXAKXWNDXQSPB-JFIYKMOQSA-N 463.991 2.435 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCN1CCOCC1 1740639623 WDIMUEKNIYMOCN-OAQYLSRUSA-N 470.618 2.188 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCn1cc(Br)cn1 1740650531 DKSMPQHEMFFLSJ-UHFFFAOYSA-N 491.357 2.043 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)N(C)c2ccccc2)CC1 1740689354 BZGXKSSUMWSEDQ-FQEVSTJZSA-N 458.570 2.206 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2ccsc2)CC1 1740751312 ITVMQZFVOHAHTH-RLLQIKCJSA-N 494.687 2.253 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](C(F)F)C1 1740960581 VJRHJHIIKNQCFF-JKSUJKDBSA-N 484.548 2.370 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H]2CCS(=O)(=O)C2)C1 1740985836 ULDATNCTWUBZID-NCXUSEDFSA-N 452.621 2.413 30 10 JEEE CC[C@H](C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC1(CS(C)(=O)=O)CC1 1743748721 HFQQGNXGNJKIJL-KRWDZBQOSA-N 457.604 2.210 30 10 JEEE CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCOC[C@H]2C)CC1 1746134684 DQFVWXVHJGVOPY-OFNKIYASSA-N 479.629 2.480 30 10 JEEE CCN(CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(C#N)C1)CCC(F)(F)F 1746313103 FBIVKRYLGIUZET-MAUKXSAKSA-N 479.573 2.293 30 10 JEEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCC(C#N)CC3)n2CCCn2cccn2)c1 1747600444 ABTXZOFLSHBFAU-UHFFFAOYSA-N 468.587 2.222 30 10 JEEE C#CCN(c1nnc(C2CCC2)n1Cc1ccc(C[S@](C)=O)cc1)[C@H]1CCS(=O)(=O)C1 1748816288 YOAQULGHZBKICV-WRGVRERRSA-N 460.625 2.099 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](CC)c3ccccc3)n2C[C@@H]2CC(=O)N(CCOC)C2)CC1 1748976824 AYZHHUKBJFGDRR-GGAORHGYSA-N 464.614 2.070 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CCN(C)Cc2ccc(F)cc2)CC1 1749015558 GZKHBQGAORMHMX-UHFFFAOYSA-N 452.578 2.468 30 10 JEEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCCN(CCC)C(=O)C1 1749043023 CFAZBXDIWOLWQX-UHFFFAOYSA-N 460.629 2.085 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)C[C@@H](C)C(=O)NC 1749120492 FAESPAQSUOCEHU-KPFFTGBYSA-N 475.615 2.148 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](CN2CCCCC2)C1 1749230287 WKPRVZIIRPWWCS-WOJBJXKFSA-N 451.637 2.085 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1749366593 HQSUVQJAHHNJTM-KRWDZBQOSA-N 487.692 2.033 30 10 JEEE C=CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 1749386416 FELOSDKWBNJVBX-UHFFFAOYSA-N 484.630 2.164 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1749657877 DQRASJRRAFYBJP-UHFFFAOYSA-N 465.558 2.424 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CC(=O)NC(C)(C)C 1749669278 FUZUSJYFQROXQI-QGZVFWFLSA-N 491.637 2.046 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCc2c(cccc2OC)C1 1749735858 BVFSBSVAOIWXOK-UHFFFAOYSA-N 453.568 2.436 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1749738402 MCUXORMIDOQFHY-GOSISDBHSA-N 451.637 2.305 30 10 JEEE C[C@H](C#N)CN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@]1(N2CCOCC2)CCSC1 1750078383 FYQUQZXNFSNZMV-VGSWGCGISA-N 489.671 2.073 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](C)NC(=O)OC(C)(C)C)c1 1760129084 XMEYNIUWVHTQQZ-VQIMIIECSA-N 495.584 2.199 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@]1(O)CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1760180918 MZVPYIILSJIXQV-WVMBUTMQSA-N 488.610 2.140 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1CCC1CCN(CC)CC1)[C@H]1CCS(=O)(=O)C1 1760187213 CCGAWRZQNAQEDY-FQEVSTJZSA-N 458.632 2.032 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1CCOc1ccc(F)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 1760188211 NLVPVHVGVLHJPF-JKSUJKDBSA-N 482.965 2.280 30 10 JEEE C#CCN(c1nnc(CCCc2ccccc2)n1C[C@](C)(O)C1CC1)[C@H]1CCS(=O)(=O)C1 1760191785 NEPPSMOPLDSVJJ-URXFXBBRSA-N 456.612 2.241 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCC2(C1)OCCO2 1760212845 GURPLHCETMGKAQ-IBGZPJMESA-N 468.579 2.355 30 10 JEEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H](c1ccccc1)N1CCOCC1 1760227632 JKMNGALMRUYBPF-RCZVLFRGSA-N 453.587 2.463 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCN2CCN(C)C(C)(C)C2)CC1 1760253469 FQOHOHGZQXGRIU-OAQYLSRUSA-N 483.636 2.338 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC(C)(C)CC)CC1 1760254886 OIAYMUDKCMIOEW-UHFFFAOYSA-N 458.632 2.387 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2Cc2nncn2C)CC1 1760264504 QJOJINNRBKRLOO-UHFFFAOYSA-N 461.357 2.096 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2cccc(C(C)(C)O)c2)CC1 1760265565 DRAHRGITTJIGGW-MHZLTWQESA-N 495.624 2.172 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(C[S@@](C)=O)cc2)CC1 1760270335 VMTNZJSTNSPTQP-GMWXTNTRSA-N 483.638 2.065 30 10 JEEE C#CCSCCn1c(N2CCN(CC(F)(F)F)[C@H](C)C2)nnc1[C@]1(OCC)CCOC1 1760286817 WDMMEEPVOFPXPT-APWZRJJASA-N 461.554 2.369 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCOC2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1760321966 MGMQQWVHWDGJNW-NSHGMRRFSA-N 467.636 2.061 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCCCO2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1760335544 OBNIKHHPKRLDTD-ONTIZHBOSA-N 460.623 2.148 30 10 JEEE C=C(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1760341265 OSWQJVAWOVRJRZ-UHFFFAOYSA-N 474.631 2.425 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)c1ncc(C)s1)C1CC1 1760476903 JQTGHRZMHSDFMF-YOEHRIQHSA-N 466.633 2.334 30 10 JEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(COc2ccccc2)CC1 1760510417 WZQYOXCLXRQECY-FQEVSTJZSA-N 461.588 2.092 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCN(c2ncccc2C#N)CC1 1760519134 SNRHUBATWBBLSC-UHFFFAOYSA-N 456.554 2.403 30 10 JEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H]1COc2ccccc2O1 1760566679 ZUIFAELMWMNNAR-SJORKVTESA-N 464.613 2.376 30 10 JEEE COCCN(CCC#N)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@]1(O)CCN(C)C1 1771111341 HYKPQNIWPSFENQ-HSZRJFAPSA-N 451.531 2.033 30 10 JEEE CC(=O)NCCCNC(=O)Nc1ncccc1OCC(=O)Nc1sc2c(c1C#N)CCC2 1858788476 FVONHKGKFSXKNI-UHFFFAOYSA-N 456.528 2.169 30 10 JEEE C=CCNC(=O)NS(=O)(=O)c1ccc(CCNC(=O)CCC(=O)c2ccc(C)cc2)cc1 1858975429 AOCLWIFSORTFAD-UHFFFAOYSA-N 457.552 2.491 30 10 JEEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1ccc(O)c([N+](=O)[O-])c1 1862508769 QCLPANKGSWPYTK-LJQANCHMSA-N 457.414 2.462 30 10 JEEE Nc1cccc(C(=O)C2=C(O)C(=O)N(CCc3cnc[nH]3)[C@@H]2c2cc3c(cc2[N+](=O)[O-])OCCO3)c1 1862568013 GLKAQEMGKLQBHP-OAQYLSRUSA-N 491.460 2.492 30 10 JEEE COc1cccc(Cn2nnc(C#N)c2NC(=O)CN2C(=O)c3ccc(Br)cc3C2=O)c1 1870111965 JYHIFBIYAYGFRU-UHFFFAOYSA-N 495.293 2.204 30 10 JEEE CCOc1ccc(-n2nnc(C#N)c2NC(=O)CCCN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc1 1870155424 MHDUZOWQILNDHB-UHFFFAOYSA-N 489.448 2.461 30 10 JEEE Cc1cccc(-n2nnc(C#N)c2NC(=O)CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1C 1870155465 ONPYLSDGPZXDJN-UHFFFAOYSA-N 459.422 2.289 30 10 JEEE COCCCn1cc(OCC(=O)NCCCO)c(=O)cc1CSc1nc(C)c(C)c(C)c1C#N 1870234197 BCKIDOMATGNQKW-UHFFFAOYSA-N 488.610 2.246 30 10 JEEE C=CCn1cc(OCC(=O)NCCCO)c(=O)cc1CSCCc1nc2ccccc2[nH]1 1870234740 IQNVBUYZORSYSV-UHFFFAOYSA-N 456.568 2.264 30 10 JEEE C=CCn1cc(OCc2n[nH]c(=N)s2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870576390 YUWYWIRHTZZJSA-UHFFFAOYSA-N 468.583 2.208 30 10 JEEE C=CCn1c(C(=O)N2C[C@H](C)O[C@@H](C)C2)cc2c(N3CCN(C(=O)OCC)CC3)ncnc21 1873562547 IJTILRCIOASJSB-IRXDYDNUSA-N 456.547 2.145 30 10 JEEE C=CCn1c(C(=O)N2CCN(C(C)=O)CC2)cc2c(NC[C@H](c3ccc(O)cc3)N(C)C)ncnc21 1875231355 KGFQPUHAVAUOIA-HSZRJFAPSA-N 491.596 2.342 30 10 JEEE CC1(C)OB(c2ccc(CCNS(=O)(=O)CCCN3C(=O)c4ccccc4C3=O)cc2)OC1(C)C 2121767557 GCEDFRSKAZJZPP-UHFFFAOYSA-N 498.410 2.134 30 10 JEEE CC(C)(C)OC(=O)N1CC(C)(C)OC[C@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2180984220 ICEKYLNLNFRJNV-HNNXBMFYSA-N 462.356 2.129 30 10 JEEE CO[C@@H]1CN(C(=O)c2ccsc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1NC(=O)OC(C)(C)C 2255646114 MBWZHDNRJJBWDU-LSDHHAIUSA-N 452.382 2.411 30 10 JEEE CC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1nn(C)c(Cl)c1B1OC(C)(C)C(C)(C)O1 2255821091 AFMJAWATXVAOIZ-LBPRGKRZSA-N 456.780 2.406 30 10 JEEE CCN(CCN(CC)C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2267177647 QRYYNKSGTYVUIB-UHFFFAOYSA-N 450.389 2.438 30 10 JEEE CC(C)(C)OC(=O)NCC1(NS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)CCC1 2267467927 GNXAAQXAPKAEQQ-UHFFFAOYSA-N 487.453 2.309 30 10 JEEE CC(C)(C)OC(=O)N1CCCN(S(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)CC1 2267710416 VBGUHUAARKWBHW-UHFFFAOYSA-N 487.453 2.215 30 10 JEEE Cc1c(C(=O)N[C@@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281797887 AKYSIFSUKABUNK-JKSUJKDBSA-N 462.400 2.451 30 10 JEEE Cc1c(C(=O)N[C@@H]2C[C@@H]3[C@@H]2CCN3C(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281806320 IPRZEMBMOYYFTM-BZUAXINKSA-N 460.384 2.155 30 10 JEEE Cc1c(C(=O)N(C)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281984333 BXEPJJICLJXAJJ-MRXNPFEDSA-N 462.400 2.499 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@]12CCN(C(=O)OC(C)(C)C)C[C@H]1C2 2282011748 MHYIPVDHEVYDFB-IQMFZBJNSA-N 460.384 2.157 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(Cc2ccccc2)CC(F)(F)C1 2282047813 CWRXNKHVFJUCCL-UHFFFAOYSA-N 460.334 2.313 30 10 JEEE Cn1cc(C(=O)N2CC[C@@H]3[C@@H](CCN3C(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2282051567 IQLSZUTZIYSBSU-DOTOQJQBSA-N 460.384 2.191 30 10 JEEE CC(C)(C)OC(=O)N1CC(CO)(CNC(=O)c2ccc(F)cc2B2OC(C)(C)C(C)(C)O2)C1 2282397841 SNWJBHVZKYPALC-UHFFFAOYSA-N 464.343 2.084 30 10 JEEE C[C@H](NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1)C1(O)CN(C(=O)OC(C)(C)C)C1 2282481656 YJXBWYAKOJQSLJ-AWEZNQCLSA-N 464.343 2.225 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C23CCC3)n1 2282529540 ICFCPWVYROLFON-INIZCTEOSA-N 460.384 2.381 30 10 JEEE Cc1c(C(=O)N2C[C@@H]3C[C@H]3[C@H]2CNC(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282543845 CVJPFXOIZCTJOI-ARFHVFGLSA-N 460.384 2.013 30 10 JEEE C[C@H]1CN(C(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1CCNC(=O)OC(C)(C)C 2282551590 KRWMTINDUHXBFN-HOTGVXAUSA-N 462.400 2.342 30 10 JEEE CN(C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1)[C@@H]1CCC[C@H]1CNC(=O)OC(C)(C)C 2282554138 YVHOTOLPQSKJND-DOTOQJQBSA-N 462.400 2.485 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2CC[C@H]1[C@@H]2NC(=O)OC(C)(C)C 2282592018 XXONFZSPFBUAQV-HLLBOEOZSA-N 460.384 2.155 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C1 2283958019 UYJNAMFGDZZMAY-RBUKOAKNSA-N 458.364 2.198 30 10 JEEE COC[C@H](ONC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccccc1B1OC(C)(C)C(C)(C)O1 2283966500 VOKRBQDRSHORKW-SFHVURJKSA-N 464.368 2.416 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CC[C@H]1CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(O)cc1O 2287593996 JGEUSZZTZHWYCO-BBRMVZONSA-N 462.352 2.430 30 10 JEEE COc1cc(OC)c(OC)cc1C=Nn1c(SCCCO)nnc1[C@@H]1CC(=O)N(C(C)C)C1 2329039924 MXEJSFCXEZSIKG-MRXNPFEDSA-N 477.587 2.385 30 10 JEEE COc1cc(C=Nn2c(Cc3ccccc3F)nnc2SCC(N)=O)cc(OC)c1OC 2329727660 QBHJLPTWTJMDQY-UHFFFAOYSA-N 459.503 2.493 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@]12CCC[C@@H]1N(C(=O)OC(C)(C)C)CC2 2362344498 SDQVDWPMHZFWQK-WNSKOXEYSA-N 460.384 2.381 30 10 JEEE CC(C)(C)OC(=O)N[C@@]1(C(=O)O)CCN(c2ccc(B3OC(C)(C)C(C)(C)O3)cc2C#N)C1 2364941145 IXFQHFUCOJLWNK-QHCPKHFHSA-N 457.336 2.416 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H](CNC(=O)OC(C)(C)C)OC)c1 2365476819 IFASTPFKSOROTG-INIZCTEOSA-N 464.368 2.264 30 10 JEEE O=C(CSc1n[nH]c(N/N=C/c2c[nH]c3ccccc23)n1)Nc1ccc2c(c1)C(=O)NC2=O 21076652 VISVKHUEZDKVFH-NUGSKGIGSA-N 460.479 2.346 30 10 JEEE C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)n1c(N)nnc1SCC#N 40173334 IFFCXAFYSXYEQU-AWEZNQCLSA-N 463.589 2.240 30 10 JEEE Cc1ccc(-n2c(=C(C#N)C(=O)NCC(C)C)sc(=Cc3cnn4ccccc34)c2=O)c(C)c1 729668732 PRSHAUCGPBIJQU-UHFFFAOYSA-N 471.586 2.439 30 10 JEEE Cc1ccc(-n2c(=C(C#N)C(=O)N3CCCC3)sc(=Cc3cnn4ccccc34)c2=O)cc1C 729671369 HXWHWZWAJVVEIV-UHFFFAOYSA-N 469.570 2.289 30 10 JEEE Cc1csc(=O)n1CCC(=O)[C@@H](C#N)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 916947825 BOCDPBKYZBPPTA-GOSISDBHSA-N 476.580 2.131 30 10 JEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)OCC(=O)N3CCO[C@H]4CCCC[C@@H]43)nnc12 918817257 DERXRMIFLRMFNS-OALUTQOASA-N 497.577 2.036 30 10 JEEE COc1ccc(Br)cc1C=NNc1nnc(SCC(=O)Nc2ccccn2)n1N 1084046449 ZHYHAXPGOLXMIN-UHFFFAOYSA-N 477.348 2.335 30 10 JEEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCN(CC(=O)Nc2ccc(Br)cc2)CC1 1126980406 YUNPYMNTMFWZAK-GOSISDBHSA-N 451.365 2.003 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2C[C@H]2NC(=O)CC2(C)C)c1 1286310055 AVINRTSOWFYFQJ-UYAOXDASSA-N 464.570 2.143 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1ccccc1COCC)[C@H]1CCS(=O)(=O)C1 1286386900 JJSLFGKFQPMDRU-FQEVSTJZSA-N 453.568 2.485 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1OC1CCCC1 1286409317 KBOJEZNVYAOPME-QHCPKHFHSA-N 497.621 2.054 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(Cc2ccc(F)cc2)CC1 1286429497 BURLWVQUYWMMKX-QFIPXVFZSA-N 499.612 2.236 30 10 JEEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H](C(C)C)N1CCOCC1 1286430826 JYGIMYQWPKTYMJ-XMMPIXPASA-N 490.656 2.272 30 10 JEEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(S(C)(=O)=O)CCC1 1286446755 HMTLNOYPACVKOB-QGZVFWFLSA-N 481.619 2.013 30 10 JEEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2Cc2cccc(OCCN(C)C)c2)CC1 1286482787 ZGMRHPKBRLCUMR-UHFFFAOYSA-N 479.654 2.378 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@H](C)CN2CCN(CC)CC2)CC1 1286487443 OREMXGDIOOTDMX-FQEVSTJZSA-N 481.645 2.086 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3c[nH]c4ccccc34)n2CC[S@@](=O)CC)CC1 1286490896 WFJIJSIIILSADV-YTTGMZPUSA-N 452.584 2.161 30 10 JEEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1286510951 DSDCIVIRTHXSPB-FQEVSTJZSA-N 457.648 2.495 30 10 JEEE C#CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)NC)CC1 1286513363 UKOCQHGGHFXHBE-KRWDZBQOSA-N 477.635 2.178 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)NCC)CC1 1286552878 SJCQLCZZLKIEDB-JTHBVZDNSA-N 463.586 2.056 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1286552964 SYRWPINQLYFZCD-NQIIRXRSSA-N 475.615 2.453 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccn2C)nnc1N1CCC(C(=O)NCCOC)CC1 1286561484 NTMCUBBOPZHIIW-FPOVZHCZSA-N 456.591 2.244 30 10 JEEE C=C(Cl)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1286631937 BMOKROZRAUWVPA-UHFFFAOYSA-N 456.016 2.190 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1ccc(CC)cc1)N(C)C 1286726292 DDFLPBXTELONTF-SFTDATJTSA-N 476.647 2.099 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1286778484 BEFJIXUWEPMFOP-UZLBHIALSA-N 469.521 2.171 30 10 JEEE C[C@H]1C[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(N(C)S(C)(=O)=O)CC2)CCO1 1291022545 IEMPAFVUOHPNHC-PKOBYXMFSA-N 472.615 2.492 30 10 JEEE CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(OC)CCCC2)CC1 1296288126 HVBUJJRHQDWHGC-UHFFFAOYSA-N 451.575 2.034 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3OCC[C@H]3COC)n2CCc2nnc(C)s2)c1 1300336363 DPJCFNJGHVHBJD-AVRDEDQJSA-N 495.609 2.461 30 10 JEEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H](CC(C)C)NC(=O)OCC 1300455938 QSPBYBYGEGAXIV-KRWDZBQOSA-N 465.558 2.422 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1cccc(C(C)(C)O)c1)[C@H]1CCS(=O)(=O)C1 1300487505 KGPDPWBKHKTQEO-IBGZPJMESA-N 453.568 2.176 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H](SC)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1300488365 RGSIFFICVXBKTH-IAGOWNOFSA-N 450.634 2.083 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1CC(F)(F)CO1)[C@H]1CCS(=O)(=O)C1 1300499402 RFGAYVGXZJQRPP-ROUUACIJSA-N 468.501 2.059 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](C1CC1)N(C)C 1300578798 PFIZIIONAJVULD-RTWAWAEBSA-N 470.618 2.390 30 10 JEEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1CCN1CCc2sccc2C1 1300675110 JVTCOQNEHDBWNZ-UHFFFAOYSA-N 453.616 2.346 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2Cc2nccc(C(F)F)n2)CC1 1300709690 BGILSCIIQBVFKX-UHFFFAOYSA-N 469.496 2.397 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccccc2C)nnc1N1CCN(CCOC)C(=O)C1 1300890516 VKXAPTYKGNLIPV-ZJSXRUAMSA-N 453.587 2.454 30 10 JEEE C=C(C)COCCn1c(-c2ccccc2OC)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1300982901 ROUXQUXUDKZQMM-UHFFFAOYSA-N 451.531 2.133 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)CC2CCCCC2)CC1 1300991064 OWVGYLOXTGRRSW-NRFANRHFSA-N 493.674 2.392 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](COCC)C1 1301502279 FMFFASRZSGSEIQ-RBUKOAKNSA-N 492.621 2.142 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](c2ccccc2)[C@H]1C 1301568172 PSLIDACDPNVYFU-UYAOXDASSA-N 457.600 2.497 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(C)(COC)CC1 1301576488 VTOLMWRUJNHJAD-UHFFFAOYSA-N 496.655 2.202 30 10 JEEE CN(C)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nnc(C(C)(C)C)s2)CC1 1314642806 IAFNNFAJUCFEOT-UHFFFAOYSA-N 493.641 2.224 30 10 JEEE CO[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1315164701 GTILRVOKXMNXFB-FQEVSTJZSA-N 495.628 2.335 30 10 JEEE CSC[C@H]1CCCN1c1nnc(COc2ccc(C#N)cc2)n1CC(=O)NCC(F)F 1316441027 DWLAVHYNDSAMJM-OAHLLOKOSA-N 450.515 2.442 30 10 JEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cccnc1OCCOC 1358949955 SUUUFPIXKLKSIW-LJQANCHMSA-N 486.573 2.124 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1CCOc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1358961447 ZGXKKFGJOBVQHO-SFHVURJKSA-N 467.551 2.054 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1ccccc1OC(F)F)[C@@H]1CCS(=O)(=O)C1 1358961951 HMRVJCFTHSMYKP-ZWKOTPCHSA-N 480.537 2.449 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC[C@H](C)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1358962743 VZPCHHYJKXXELX-HBMCJLEFSA-N 463.648 2.411 30 10 JEEE C#CCN(c1nnc(CSc2ccc(C)cc2)n1CCNC(=O)C1CC1)[C@H]1CCS(=O)(=O)C1 1358967966 WMAFWNRKTQUTIH-IBGZPJMESA-N 487.651 2.032 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)CCCN2C 1358994733 VHSSYBSSWRFRQL-NRFANRHFSA-N 451.596 2.074 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCC[C@@H](C)C1 1359025125 DKZBZQWQUXEMCA-NHCUHLMSSA-N 490.649 2.404 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](c2ccc(C)cc2)N(C)C)CC1 1359045071 VWEZQIAWXMTHHV-PKTZIBPZSA-N 464.614 2.359 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccc1F 1359099943 VBKNHSDXZDZKKA-NRSPTQNISA-N 493.605 2.368 30 10 JEEE C=C(C)COCCn1c(COc2ccc(C)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1359136710 SRKCQFMZXAGMPJ-FQEVSTJZSA-N 468.558 2.231 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O)C(C)C 1359266230 WUCIZFRTFQHZFU-QAROPEJJSA-N 491.702 2.476 30 10 JEEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCCN2CCC[C@@H]2CO)[C@H](C)C1 1359385426 AFLUMNCHJOMQKR-AUSIDOKSSA-N 465.602 2.111 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)N3C[C@@H](NC(=O)OC(C)(C)C)[C@H](c4cnn(C)c4)C3)cc2C1=O 1452032381 QIQNULQUXIKNHF-VQTJNVASSA-N 479.537 2.335 30 10 JEEE CO[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1)C(C)(C)C 1503970180 FHDZOJJSIGIADQ-NRFANRHFSA-N 481.601 2.452 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C2CC2)ccc1F 1507671059 FTUXIQRDDLSYQD-JOCHJYFZSA-N 485.585 2.139 30 10 JEEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1(C(=O)NCC)CCC1 1507689466 KNWUESNNLMEPNN-UHFFFAOYSA-N 450.591 2.218 30 10 JEEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C(=O)OC)CC1 1507744835 PMCQEOFWSOJGHH-UHFFFAOYSA-N 453.366 2.291 30 10 JEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2Cl)CC1 1507745949 HAZHZLMQGDYAKM-MRXNPFEDSA-N 483.063 2.235 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1CCS(=O)(=O)NC 1507763838 GSOPMQABYJQTGH-HTAPYJJXSA-N 461.588 2.358 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)CC)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1507802435 BWVIIAFOWFHJAJ-WOZUAGRISA-N 481.663 2.404 30 10 JEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](OCc2ccccc2)C1 1507954773 PJRPWQJTMGXQCE-LEWJYISDSA-N 475.615 2.373 30 10 JEEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCC2(C1)OCCO2 1507973268 XNZWXEWFACMYSR-QGZVFWFLSA-N 461.588 2.361 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1CC(=O)NCC(F)(F)F 1508023689 FLLMKGIIYLDJCQ-INIZCTEOSA-N 450.465 2.143 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1508071395 IVCFIMKEDWVLMH-MJGOQNOKSA-N 472.977 2.169 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1508087473 RMNOSXDRNCZNSJ-NRFANRHFSA-N 452.603 2.028 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCCN(C(=O)CC2CCCC2)CC1 1508090449 NNKZDUMDZFSSFQ-HXUWFJFHSA-N 458.607 2.441 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCN(C(C)=O)CC1 1508133393 ICQUPLKNSMPIDN-UHFFFAOYSA-N 496.431 2.285 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)Cc1cnn(CC)c1 1508141204 UDFKPKIYBRNSAN-UHFFFAOYSA-N 482.570 2.048 30 10 JEEE CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCCC(C)(C)C2)CCO1 1508374595 GZULUNVITSAKMN-QFIPXVFZSA-N 465.602 2.280 30 10 JEEE C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1)N(C)C1CC1 1510017865 GHRCMVCOHRDMNL-PKOBYXMFSA-N 471.631 2.065 30 10 JEEE CC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1)OC 1513452389 CAPWJVSRGNKYLY-HXUWFJFHSA-N 459.558 2.482 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCNS(=O)(=O)CC 1539015315 UDGCEGZWWJNTKA-ROUUACIJSA-N 482.651 2.180 30 10 JEEE C#CCN(c1nnc(C(C)C)n1Cc1ccn(Cc2ccccc2)n1)[C@H]1CCS(=O)(=O)C1 1539203070 NIEYKHDLZRYSBW-NRFANRHFSA-N 452.584 2.321 30 10 JEEE C#CCN(CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCN1CCOC(C)(C)C1 1539377737 UPTONQWDFVMEQY-UHFFFAOYSA-N 479.673 2.213 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCC2CC2)CC1 1539482676 WFEAZINCAUPAOD-HXUWFJFHSA-N 486.617 2.352 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC(CC(=O)N(C)C)CC1 1539642253 IGGAGHOLZZLWGU-AUSIDOKSSA-N 458.607 2.076 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](c2ccc(F)c(F)c2)C1 1540862009 OGBHXQPZWXFULW-GOSISDBHSA-N 483.479 2.084 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1540866284 IVHYEPBAVUKHFM-QWHCGFSZSA-N 457.959 2.298 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2cnn(C)c2C)cc1 1540877693 CBFYRRJADFNDPV-LJQANCHMSA-N 470.599 2.472 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](c2ccc(Cl)cc2)C1 1540897547 MATWMMKRMYVTLR-SFHVURJKSA-N 482.006 2.248 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@H](CC)C1 1540901949 VWDZMJBJETXJFP-INIZCTEOSA-N 466.633 2.075 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CC(F)(F)F 1541939601 AXIIVIWBQMFYOY-CQSZACIVSA-N 471.509 2.039 30 10 JEEE CO[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1)c1ccc(F)cc1 1554656520 FSXFZDHTAOHSOK-MDYRTPRTSA-N 451.499 2.149 30 10 JEEE COCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1555524316 DNDOFKOOUXBNBC-UHFFFAOYSA-N 491.644 2.068 30 10 JEEE COc1ccc(CS(C)(=O)=O)cc1NC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1562780604 HSBTXKJLVCAUPM-SFHVURJKSA-N 456.524 2.034 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCC1CC(OCC)C1)[C@H]1CCS(=O)(=O)C1 1588055772 ZAURDEIIYFYHFE-NUVZVAJJSA-N 450.605 2.004 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc(C)o3)n2C[C@@H]2CCCS(=O)(=O)C2)n1 1588723213 KKEVTHBJZJPOTN-IBGZPJMESA-N 486.598 2.154 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2Cc2conc2COC)CC1 1588872190 YFPUEARDIAFSSQ-UHFFFAOYSA-N 456.934 2.448 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H](OC)C2CC2)CC1 1588892013 VRTIHYVLMQGXTA-IBGZPJMESA-N 489.418 2.437 30 10 JEEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1589404842 MMFCFEKBIORLKW-KRWDZBQOSA-N 469.428 2.071 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2CC)nnc1N1CCO[C@@H](C(=O)NC)C1 1589569903 RVOCNHJIJRLHQG-LSWJPFSZSA-N 469.586 2.352 30 10 JEEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(Cc2ccc(OC)cc2)C(=O)C1 1594720244 GSMJENDKUOILOC-FQEVSTJZSA-N 452.559 2.443 30 10 JEEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)c2cccc(C)c2)CC1 1594807746 YOIPNPKKTSVLPO-NRFANRHFSA-N 466.586 2.483 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cnccn2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1595094036 KXZFXLOJIFCYHG-FQEVSTJZSA-N 478.582 2.081 30 10 JEEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1595398628 HXIMIUJKXMNFGJ-LJQANCHMSA-N 474.606 2.406 30 10 JEEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2COCCO2)CCN1CC(F)(F)F 1612916848 GFRYZBVCXCKESU-QAPCUYQASA-N 450.465 2.305 30 10 JEEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCOC[C@H]2OC)C[C@H]1C 1619937243 DWIRSPXIQLXIFV-BVYCBKJFSA-N 454.575 2.025 30 10 JEEE CCOC(=O)c1c(NC(=O)N2CCCN(c3ncccc3F)CC2)c(C#N)cn1CCOC 1623540375 BHOHQWYMJDLCDL-UHFFFAOYSA-N 458.494 2.461 30 10 JEEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2cccc(S(=O)(=O)N[C@H](C)CC)c2)cc1 1631063719 XSJFKOWRLDUDKQ-OAHLLOKOSA-N 451.570 2.480 30 10 JEEE CC(C)(C)OC(=O)N1CCC2(CC1)CC(C(=O)N1CC[C@H](Oc3ccc(C#N)cn3)C1)=NO2 1636786072 HXKXKDXYXJFNAG-KRWDZBQOSA-N 455.515 2.479 30 10 JEEE C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2=O)C1 1638976281 CJAHVKBZUJOYPA-MJGOQNOKSA-N 456.543 2.396 30 10 JEEE C=CCNS(=O)(=O)c1ccc(C(=O)N(C)Cc2nnc3n2CCC[C@H]3C(F)(F)F)cc1 1645208181 RRZRGDNCCHVBCR-OAHLLOKOSA-N 457.478 2.454 30 10 JEEE N#CC1(CS(=O)(=O)N2CCN([C@H](C(=O)NCc3ccccc3)c3ccccc3)CC2)CC1 1663822908 HSDQOYGPSXMTBP-QFIPXVFZSA-N 452.580 2.295 30 10 JEEE C=CCN1CC[C@@H](N(C)C(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2OCC)C1=O 1672605358 HMCPFMPMKAQPRT-GOSISDBHSA-N 452.577 2.366 30 10 JEEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(S(=O)(=O)c2ccccc2)CC1 1689887311 XATXJQLYPRGECE-FQEVSTJZSA-N 455.584 2.475 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCN(CCC)C1 1690019885 TXJGWEPVGGVVJQ-NHCUHLMSSA-N 470.618 2.391 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)CC1 1690136689 IFODYUNBYADEOW-YLJYHZDGSA-N 468.577 2.241 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1690253079 MKAPJCLJFPIQCF-XJABCFGWSA-N 493.605 2.495 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC2(CC1)CNC(=O)C2 1690661209 WXIQZKZGOMZMFC-IBGZPJMESA-N 466.586 2.444 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(N(C)C(=O)OCC)CC1 1690661713 DUYIEDCYMZZGSZ-UHFFFAOYSA-N 494.394 2.395 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(Cc2cnc(C)s2)CC1 1690675754 DNFDXGLIXGBTEM-UHFFFAOYSA-N 485.589 2.386 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2c(F)cccc2F)C1 1690686235 KWPOHNJRIGPYMI-HUUCEWRRSA-N 455.531 2.191 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Br)c2)nnc1N1CCCN(CC)C(=O)C1 1690717848 SDWMCBMMMSSJNO-UHFFFAOYSA-N 496.431 2.367 30 10 JEEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(O)(c2ccccc2)CC1 1690733902 QLCTZGWMTILJEV-KRWDZBQOSA-N 465.645 2.296 30 10 JEEE CC[C@@H](C)NC(=O)c1cccc(Cn2c(Cn3nc(C)cc3C)nnc2N2CCO[C@@H](C#N)C2)c1 1694263153 DGDIZUOHFCBYAS-VGSWGCGISA-N 476.585 2.445 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1nccc(C(F)F)n1 1705481216 BKJKXUFIJYZIPC-CQSZACIVSA-N 475.525 2.429 30 10 JEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(Oc2cncc(Cl)n2)CC1 1705517583 YVSHEQYBFHFDOW-MRXNPFEDSA-N 479.006 2.475 30 10 JEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cccc(N(C)C)c1 1705581094 WKEVMBOTURARBF-UHFFFAOYSA-N 461.595 2.425 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1[C@H]1CCC[C@H](C(F)(F)F)C1 1705598336 HFSJEWSXJDSSFM-BZSNNMDCSA-N 487.548 2.368 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H](C2CC2)N(C)C)CC1 1705634934 MXBJJDLQKSANMI-IBGZPJMESA-N 460.424 2.142 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCN(C)C(C)C)CC1 1705644794 CCYLPKPTFSYPFN-UHFFFAOYSA-N 476.423 2.342 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2Cc2cccnc2OCCC)CC1 1705650518 SJZWLWTXFLEDKM-UHFFFAOYSA-N 473.581 2.462 30 10 JEEE C#CCSCCn1c(N(CC)[C@@H]2CCS(=O)(=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705665236 NQXFKPOAGWKGBN-FGTMMUONSA-N 497.687 2.429 30 10 JEEE C=C(Br)Cn1c(CCOc2ccccc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1705689898 CSLQIOHRACMMKP-NVXWUHKLSA-N 465.348 2.168 30 10 JEEE C=C(C)Cn1c(N2CCC[C@H](CN(C)S(C)(=O)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1705728782 XFMCQVSENBKZBJ-NQIIRXRSSA-N 455.625 2.003 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC(=O)NC2CCCC2)CC1 1705737397 QCXPPIHTDOTGHI-FQEVSTJZSA-N 493.674 2.438 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C(C)C)CC1 1705930974 AMGDGSRUTXKLBM-UHFFFAOYSA-N 463.604 2.094 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1705931711 YAHQWGBBZAUMAP-UGKGYDQZSA-N 489.642 2.102 30 10 JEEE C=CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(C(=O)NC)CC1 1705943576 FDQGSLOHSQFAQO-UHFFFAOYSA-N 467.599 2.074 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cccc(CO)c1 1706072619 GCGIZHVJZDEQOE-INIZCTEOSA-N 453.572 2.375 30 10 JEEE CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN(C(C)C)C(C)C)CC1 1710329780 GKVLOTBPTBRVRH-UHFFFAOYSA-N 466.634 2.194 30 10 JEEE CCNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[S@@](=O)C(C)(C)C)CC1 1710342758 AKUJIVTWQDCHJL-UUWRZZSWSA-N 487.630 2.127 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2CC2CCN(CCN(C)C)CC2)c1 1722308501 BNYPFRCECXUUKO-HSZRJFAPSA-N 493.656 2.112 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1CCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1722359301 LFRQHNGJDKPBTK-GOSISDBHSA-N 479.553 2.269 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCOC(F)F)[C@H]1CCS(=O)(=O)C1 1722359358 LTNOXJQNHKECLM-INIZCTEOSA-N 469.470 2.109 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cn(C)c3ccccc23)n1CC1(S(C)(=O)=O)CCC1 1722425007 IOBQSSNDJWEFII-UHFFFAOYSA-N 455.584 2.490 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCC[C@H](O)C1 1722426342 HCNLYNMGJKKEAF-AABGKKOBSA-N 477.606 2.224 30 10 JEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 1722453479 UOWKUTFKZRLBMJ-LJQANCHMSA-N 485.589 2.420 30 10 JEEE C#CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(CCOC)[C@H](C)C1 1722458065 CFWCBQWUPYPONS-QGZVFWFLSA-N 467.599 2.117 30 10 JEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 1722461083 BQQDTVRSYODAIJ-LJQANCHMSA-N 472.659 2.242 30 10 JEEE C#CCSCCn1c(N2CCN(C3CCOCC3)C[C@H]2C)nnc1[C@]1(OC(C)C)CCOC1 1722464328 BTHASEFOOFVYLC-YKSBVNFPSA-N 477.675 2.375 30 10 JEEE C#CCSCCn1c(N2CCN(c3nccnc3C)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1722464517 IVJNJCJPUCTXKE-HSZRJFAPSA-N 471.631 2.110 30 10 JEEE C=C(Br)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1722478109 PLFKSZGVPTZWHC-FQEVSTJZSA-N 476.379 2.135 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccc(OC)c(F)c2)CC1 1722532826 XOOPZQJKPBUOQZ-FQEVSTJZSA-N 472.565 2.292 30 10 JEEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(F)c(OC)c2)CC1 1722609115 SKAOJGXLEISOBD-MRXNPFEDSA-N 466.583 2.329 30 10 JEEE C=CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(F)(F)C1(OC)CCOCC1 1722635049 XPHHRVMZLOAKTA-UHFFFAOYSA-N 460.489 2.374 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C 1722681650 PGJOZQJVMAYUHN-MSOLQXFVSA-N 483.635 2.219 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCCN(CCC)C(=O)C1 1722701702 ALIUBSQRNRRQSV-UHFFFAOYSA-N 454.575 2.225 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC(=O)N(C)C[C@H]1C 1722724251 RGJMOBOTYCIJLC-MJGOQNOKSA-N 475.615 2.303 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(Br)cc2)nnc1N(C)[C@H]1CCOC1 1722731464 LRMBALSNJRGTPX-INIZCTEOSA-N 485.404 2.446 30 10 JEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1722739236 TTXLURNXJLBZMT-RTBURBONSA-N 479.676 2.224 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](Cc2ccc(F)cc2)C1 1740592505 YSIPHMXOXOOVBI-TZIWHRDSSA-N 475.590 2.233 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1740641839 HAUCTEVVQNRLLD-UHFFFAOYSA-N 474.638 2.292 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)CC(=O)NC(C)C 1740755619 BKQJCBTVJQMPKV-YLJYHZDGSA-N 489.646 2.180 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2C[C@H](C)O[C@@H](COC)C2)nnc1[C@@]1(OCC)CCOC1 1740768013 SPCRGYVLDREZLJ-JDPWZNKLSA-N 450.580 2.152 30 10 JEEE C=CCCOCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(C(C)=O)C[C@H]1C 1740887683 FEHFXCMCEVPJMW-QGZVFWFLSA-N 489.646 2.196 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCS(C)(=O)=O)C1 1740980944 TVILUEMIXKWJGG-ROUUACIJSA-N 483.635 2.219 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1740987388 FSADFIZZJWNZHE-WZONZLPQSA-N 460.600 2.493 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN([C@H](C)c2nccs2)CC1 1740990876 INCCTXOFLVHNOT-MSOLQXFVSA-N 480.660 2.460 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 1741134463 BGSMLKOXBKTDHZ-UNMCSNQZSA-N 465.602 2.287 30 10 JEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 1748732117 SUYUPMQDDQEQGV-OAHLLOKOSA-N 496.996 2.057 30 10 JEEE C#CCN(c1nnc([C@H](C)OCCOC)n1Cc1ccc2c(c1)CCCO2)[C@@H]1CCS(=O)(=O)C1 1748805801 WKCFQSPWXJOKEQ-GHTZIAJQSA-N 488.610 2.002 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CCO[C@@H]1CCCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1748819784 UFMSTWUPFLNQCC-BAGYTPMASA-N 471.627 2.486 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C3(c4ccccc4)CCC3)n2CCNC(=O)C(C)C)CC1 1749003595 OJNRZKPUZNEWPB-UHFFFAOYSA-N 476.625 2.486 30 10 JEEE C#CCSCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1749039785 BDUKNKIEFXNRCS-SFHVURJKSA-N 473.002 2.361 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)COC)CC1 1749120362 CZUHJAMNUCXBDK-RXVVDRJESA-N 470.530 2.130 30 10 JEEE C=C(Cl)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1749280888 TVIRPYMBCANIPO-KRWDZBQOSA-N 472.977 2.054 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2ccncc2)n1CC1(O)CCS(=O)(=O)CC1 1749531940 OFDQOAHGJXWMJM-UHFFFAOYSA-N 492.605 2.268 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCOC2)n1CCN1CCCS1(=O)=O 1749553051 DUTJNZZKIZDLQV-QGZVFWFLSA-N 451.618 2.462 30 10 JEEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)CC(C)(C)CN1CCOCC1 1749609614 WXRMVBYIKZQJSQ-UHFFFAOYSA-N 476.647 2.176 30 10 JEEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1749629899 KIHPQSXUJISUBL-CEXWTWQISA-N 464.611 2.318 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CC[C@@H](C(N)=O)C1 1749651043 MKHWCAKRFXIBSY-HZPDHXFCSA-N 460.966 2.302 30 10 JEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1749676203 ILYJQHXPNKDUOT-NYHFZMIOSA-N 473.603 2.039 30 10 JEEE C#CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 1760146389 KXXGFGOVNKUXHW-INIZCTEOSA-N 480.660 2.219 30 10 JEEE C#CCCCn1c(N2CCC(CNC(=O)c3cnn(C)c3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1760160130 ZMPZPAPNOYHJGR-VWLOTQADSA-N 483.617 2.112 30 10 JEEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H](C(CC)CC)N1CCOCC1 1760170618 JKPSXMYBFJSNRZ-QFIPXVFZSA-N 477.613 2.398 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Cl)n1CC1(N(C)C)CCOCC1)[C@H]1CCS(=O)(=O)C1 1760184870 MWNWWFRRNCRQJW-SFHVURJKSA-N 492.045 2.336 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CCC(=O)N[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1760186008 ITLJNWDVXFMIOC-IRXDYDNUSA-N 493.580 2.079 30 10 JEEE C#CCN(c1nnc(COc2ccccc2OC)n1C[C@@H]1CCOC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1760193215 WVHGUVDDCGREAR-HSALFYBXSA-N 488.610 2.165 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1ccsc1)N(C)C 1760337012 LQUBGOMZQLEZMC-RTBURBONSA-N 482.676 2.378 30 10 JEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)c1ncc(C)s1)C1CC1 1760476901 JQTGHRZMHSDFMF-RHSMWYFYSA-N 466.633 2.334 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1760526728 RXOOBHDMJUTXTF-NRFANRHFSA-N 482.629 2.466 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CC[C@@H](N3CCCC3=O)C2)cc1 1760529626 DDEYUOYHOMZYSY-LJQANCHMSA-N 452.559 2.231 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCN(c2ccccc2C#N)CC1 1760557091 ZUJMEPALLLJBFJ-UHFFFAOYSA-N 477.594 2.063 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CCN2CCCC[C@H]2C1 1760557585 QIBAETHCEQWIAP-FQEVSTJZSA-N 459.616 2.441 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCO[C@H](CC)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1760558378 NGJFRBSSNFXLMI-FGTMMUONSA-N 483.635 2.265 30 10 JEEE COc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@H](C)CC#N)cc1Cl 1768671356 GNIMYWFVGZYEKU-KDOFPFPSSA-N 482.994 2.060 30 10 JEEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCN1CCN(CC)CC1 1772564444 BKDYTPFROYREFP-UHFFFAOYSA-N 453.639 2.102 30 10 JEEE COc1cc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCNC(C)=O)cc(OC)c1O 1862680123 UTFQDEFEITXUOE-LJQANCHMSA-N 458.442 2.263 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H](C)O)[C@@H]2c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 1862697995 XTHFEXNDHLFPIN-MPBGBICISA-N 470.434 2.334 30 10 JEEE COC(=O)c1ccc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2CCNC(C)=O)cc1 1862757088 UQVMWIZQSGJECN-IBGZPJMESA-N 467.434 2.096 30 10 JEEE O=C(NC[C@H]1CCCO1)[C@H](Cc1c[nH]c2ccccc12)N=C1NS(=O)(=O)c2ccccc21 1869932190 WNXTVWJBDNJHBQ-UZLBHIALSA-N 452.536 2.113 30 10 JEEE CC(C)c1ccc(-n2nnc(C#N)c2NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 1870155301 GIVNECWXRZXAJG-UHFFFAOYSA-N 459.422 2.405 30 10 JEEE C=CCn1cc(OCC(=O)Nc2ccc(OC)cc2)c(=O)cc1CN(CCOC)CCOC 1870740302 QIQLVCXVDBAARZ-UHFFFAOYSA-N 459.543 2.155 30 10 JEEE C=CCn1cc(OCC(=O)NCCN(CC)CC)c(=O)cc1CNc1ccc2nc[nH]c2c1 1870975955 RSOXUGFKGKQIEZ-UHFFFAOYSA-N 452.559 2.360 30 10 JEEE CCCCCCCCN=c1nc(N2CCN(CCO)CC2)[nH]c(=Nc2ccc3c(c2)OCO3)[nH]1 1871536043 AOTPIIKXWCHFPK-UHFFFAOYSA-N 471.606 2.074 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]1NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2255745886 UBBMZDUUIPHXHW-HUUCEWRRSA-N 456.345 2.069 30 10 JEEE CC1(C)OB(c2scnc2C(=O)N[C@H]2CCOC[C@@H]2NC(=O)OCc2ccccc2)OC1(C)C 2255813001 PVNFSTXGYIIJSK-IRXDYDNUSA-N 487.387 2.256 30 10 JEEE C[C@H](CNS(=O)(=O)c1ccc(F)cc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2255931105 GEARNOYQHDABPV-CYBMUJFWSA-N 458.361 2.316 30 10 JEEE CC(C)(C)OC(=O)NC1(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)s2)CCOCC1 2256612964 HDSZKBIACPNFSB-UHFFFAOYSA-N 453.370 2.455 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1CCN1S(=O)(=O)c1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2267475426 KJSMLDFESXAHAI-OAHLLOKOSA-N 470.372 2.413 30 10 JEEE COC(=O)[C@@H](CCNC(=O)c1ccsc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2267478398 XQKWLCTUNLTZER-CQSZACIVSA-N 468.381 2.234 30 10 JEEE Cc1c(C(=O)NC[C@H](C)CN(C)C(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2267511256 ZNUGSRABIUFSLH-AWEZNQCLSA-N 450.389 2.261 30 10 JEEE C[C@@H](c1nscc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)C1(NC(=O)OC(C)(C)C)COC1 2268705924 HSNNDSSUUIFADD-ZDUSSCGKSA-N 467.397 2.255 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@](O)(CC(=O)NCc2sccc2B2OC(C)(C)C(C)(C)O2)C1 2268716338 FEBJIOPREQJHAW-QFIPXVFZSA-N 466.409 2.426 30 10 JEEE Cc1c(C(=O)NC[C@@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281800906 ACUJMSPODLFDBK-NPMXOYFQSA-N 460.384 2.015 30 10 JEEE Cn1ncc(C(=O)N(CC2CC2)C2CN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2281810442 PGMKMGYFPKEHOX-UHFFFAOYSA-N 460.384 2.191 30 10 JEEE C[C@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)C[C@]1(C)CNC(=O)OC(C)(C)C 2281979374 CVFWKFQEVLSNGC-WNSKOXEYSA-N 462.400 2.342 30 10 JEEE Cc1c(C(=O)NCC2(CNC(=O)OC(C)(C)C)CCC2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281981004 XGVVDCUANCMBSC-UHFFFAOYSA-N 462.400 2.453 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2C[C@@H]2[C@H]1CNC(=O)OC(C)(C)C 2282012530 XGHXJIMDPLKUFR-HRCADAONSA-N 460.384 2.013 30 10 JEEE Cn1cc(C(=O)N2C[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)nc1B1OC(C)(C)C(C)(C)O1 2282044924 SMKHGFZVAMRWIB-VQTJNVASSA-N 450.392 2.313 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](C(=O)O)N(C(=O)c2occc2B2OC(C)(C)C(C)(C)O2)C1 2282048088 HKIWJRQNBKRPLM-HIFRSBDPSA-N 464.324 2.161 30 10 JEEE Cc1ccc(C(=O)NCC2(CO)CN(C(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2282110141 MVFPNEAHFYNGEU-UHFFFAOYSA-N 460.380 2.253 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@H](NC(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2F)C1 2282414287 QOLCHTRHNBNBKS-IAGOWNOFSA-N 464.343 2.225 30 10 JEEE CN(C(=O)OC(C)(C)C)[C@H]1CN(C(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)CC12CC2 2282523669 BEUGDSBGWXQTTH-INIZCTEOSA-N 460.384 2.191 30 10 JEEE CC(C)[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2282550474 ZKRFNQMDCVHVHD-KRWDZBQOSA-N 462.400 2.437 30 10 JEEE Cn1cc(C(=O)N2C[C@H]3CCC[C@]3(NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2282583220 HDRAKGUXUIYXNB-CMJOXMDJSA-N 460.384 2.239 30 10 JEEE COc1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(CC(N)=O)Cc2ccccc2)cc1OC 2282591612 RVMJFBKLGPRXBE-UHFFFAOYSA-N 454.332 2.131 30 10 JEEE C[C@H]1CN(Cc2ccccc2)C[C@@H](C)[C@@H]1NC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2282620339 DGWDOOFUTRINSZ-DZFIZOCASA-N 453.396 2.001 30 10 JEEE Cc1cccc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2O)c1B1OC(C)(C)C(C)(C)O1 2282689294 GSUJACVVLKSIML-ROUUACIJSA-N 460.380 2.394 30 10 JEEE C[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1O 2282883144 WMBZQDLIHQEAIL-IUODEOHRSA-N 456.270 2.363 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCCN(CC(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)C1 2283953458 SZEXUBIJOOVCMK-HNNXBMFYSA-N 480.440 2.048 30 10 JEEE CN(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2cc(B3OC(C)(C)C(C)(C)O3)ccc21 2283979178 KKOXRQVLDREVCF-GOSISDBHSA-N 459.396 2.330 30 10 JEEE COc1ccc(N2C[C@H](c3nnc(SCCO)n3N=Cc3cccc(OC)c3O)CC2=O)cc1 2325882474 CJLFACIJDAKHPT-MRXNPFEDSA-N 483.550 2.488 30 10 JEEE C#CCOC(=O)NS(=O)(=O)c1ccc(CCNC(=O)C=Cc2ccc(OC)c(OC)c2)cc1 2331003745 KWPBLJUJCVLIGK-UHFFFAOYSA-N 472.519 2.124 30 10 JEEE N#CCCNC(=O)C[S@@](=N)(=O)c1cc(I)ccc1Br 2338398874 IEQBQXIRXXJVGS-LJQANCHMSA-N 456.103 2.489 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2C[C@H](C1)N(C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)C2 2359312841 VEORZVGAQFNYHC-BZUAXINKSA-N 458.368 2.294 30 10 JEEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Br)cc1Br 71992031 CRUMOWNTBXHTKG-NSHDSACASA-N 471.192 2.023 30 10 JEEE COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccco2)cc1OC 103098096 SNKZXFXJFFZFLG-SADKCHQCSA-N 456.495 2.441 30 10 JEEE CO/N=[N+](\[O-])CC(=O)N1[C@H](c2cccc([N+](=O)[O-])c2)N(S(=O)(=O)c2ccc(C)cc2)C[C@H]1C 103936696 XFBCALJFZHWTSH-ZYMQJLPHSA-N 477.499 2.347 30 10 JEEE COc1c(C[C@H]2CC(c3ccc(F)cc3)=NO2)c(C=NNC(N)=S)c2c(c1OC)OCO2 254394161 FNLUVNJAESGBSH-ZDUSSCGKSA-N 460.487 2.474 30 10 JEEE C=CCNC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 757448369 MBBBSSNSGILHMB-NRFANRHFSA-N 465.506 2.177 30 10 JEEE C=CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)N2c3ccccc3NC(=O)C2(C)C)cc1 834853085 DPKDXRHUXUXEOD-UHFFFAOYSA-N 457.508 2.072 30 10 JEEE C=CCn1nc(C)c(C=NNc2nnc(SCC(=O)Nc3cccc([N+](=O)[O-])c3)n2N)c1C 1084025664 AFCQATSHAGRXOF-UHFFFAOYSA-N 470.519 2.076 30 10 JEEE C#CC[C@]1(C(=O)N2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)CCCN1C(=O)OC(C)(C)C 1160727875 BKXFWJSESCRNQS-HTAPYJJXSA-N 453.605 2.100 30 10 JEEE C=CCC1(NC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2N2CCOCC2)CCOCC1 1216038804 JVHHDLSWRDIKMA-UHFFFAOYSA-N 452.577 2.020 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCC(=O)N1CCOCC1 1286303898 FAAWTWXRDSIJBO-ROUUACIJSA-N 460.579 2.057 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCCOCC(F)F)[C@H]1CCS(=O)(=O)C1 1286387096 AMSNCVVJFGKQHO-SFHVURJKSA-N 463.510 2.115 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCCn1nc(C)cc1C)[C@@H]1CCS(=O)(=O)C1 1286397393 ZBPFUBYMXZWXAR-UXHICEINSA-N 460.604 2.050 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(OC)ccc2Br)n1CCc1n[nH]c(C)n1 1286400485 ARJYELFEMFNXFC-UHFFFAOYSA-N 454.332 2.458 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1cn2ccsc2n1 1286460000 IASUMSJOZIICCD-UHFFFAOYSA-N 470.580 2.192 30 10 JEEE C#CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1286500824 ZWMWSNIAXXTWNM-UHFFFAOYSA-N 468.627 2.065 30 10 JEEE C#CCSCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCCN(CC)C(=O)C1 1286508132 JHTXZPOXIGIRET-UHFFFAOYSA-N 495.697 2.068 30 10 JEEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccc1SC 1286508693 KMHLRSFOGQHAMK-GOSISDBHSA-N 495.696 2.336 30 10 JEEE C=CCCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCO[C@H](CNC(C)=O)C1 1286685598 SZIZQWOJIGHMGF-LJQANCHMSA-N 489.646 2.244 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1 1286789577 HWZXZNQJFMZPOX-SFHVURJKSA-N 450.547 2.457 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1286819455 LGVCXAUSLIGUTF-HSZRJFAPSA-N 484.582 2.163 30 10 JEEE CC[C@H](C)N(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1291764741 FZCHUPIEXYZTQV-PMACEKPBSA-N 478.645 2.336 30 10 JEEE CCN(CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCO[C@H](C#N)C1)C(C)C 1295844944 GXPSGLVVKUBOBH-GOSISDBHSA-N 464.574 2.134 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Cl)n1CCCC(=O)NC1CC1)[C@H]1CCS(=O)(=O)C1 1300488060 OKPGYSPZDPSGFE-KRWDZBQOSA-N 476.002 2.284 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCCN1CCCCCC1=O)[C@@H]1CCS(=O)(=O)C1 1300488867 HGBNXKBWNDNSQV-OAQYLSRUSA-N 499.637 2.373 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2F)n1CCOCCS(C)(=O)=O 1300565728 WIAZBZAIVVZJRK-UHFFFAOYSA-N 452.939 2.262 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@H]2CCOC2)CC1 1300733457 WFQNFFMNBGXMGY-QUCCMNQESA-N 486.617 2.352 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(C#N)cc1 1300872881 HMPZTLBBGIDVLG-VDGAXYAQSA-N 458.588 2.378 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1301491056 CQJXQJTXACFMDV-JOCHJYFZSA-N 455.950 2.386 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1301493428 YFVGZMGSOHOPNF-OSPHWJPCSA-N 471.558 2.039 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCN2C(=O)CC[C@H]2C1 1301517832 CKRQLPSWRRKADP-INIZCTEOSA-N 460.991 2.337 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1301568065 CNRJSAHIEQZTHJ-RTBURBONSA-N 466.629 2.044 30 10 JEEE CC(C)N1CCC(O)(Cn2c(CNC(=O)c3cccs3)nnc2N2CCC(C#N)CC2)CC1 1303302218 FTXKBTOZWYFPGL-UHFFFAOYSA-N 471.631 2.245 30 10 JEEE CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1CCC(=O)N1CCCCCC1 1306259335 FFXVBVNEXKBUAK-NRFANRHFSA-N 479.585 2.236 30 10 JEEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C)c2ccc(-c3ccccc3OC)cc2)CC1 1312150495 ZVQTUPGMTJVVPD-GOSISDBHSA-N 456.568 2.218 30 10 JEEE CCOC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)NC(C)C)C1 1314030977 GTUACVJEBNZDGN-LJQANCHMSA-N 453.547 2.446 30 10 JEEE CN(C)[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](C#N)C1)c1c(F)cccc1F 1314646953 HTEIVQZTBNJOTL-YJBOKZPZSA-N 482.495 2.235 30 10 JEEE COC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1)OC 1315792938 HFFDFLDXLXJPRX-RTWAWAEBSA-N 452.559 2.221 30 10 JEEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1358921849 LFOJJMUPIVXTMM-SFHVURJKSA-N 474.407 2.192 30 10 JEEE C#CCN(c1nnc(-c2cnn(-c3ccccc3)c2)n1CC(C)(C)CN(C)C)[C@@H]1CCS(=O)(=O)C1 1358961274 VQECJQTUSYFCOQ-JOCHJYFZSA-N 495.653 2.345 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@](C)(O)c1cc(C)oc1C)[C@H]1CCS(=O)(=O)C1 1358961372 XMHVQESDZFLKOV-FDDCHVKYSA-N 469.567 2.084 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@H](C)N(C)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1358964582 BRZKCIBELROGMS-XUZZJYLKSA-N 492.649 2.411 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1Cc1snnc1C 1358976500 GRYQPVMWGQGBCS-UHFFFAOYSA-N 458.551 2.346 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@](O)(c2ccccc2)C(F)(F)F)CC1 1359043918 NTZXWWWCYPMIJZ-QHCPKHFHSA-N 499.497 2.151 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CC2(COC)CCOCC2)CC1 1359046553 WKCIADNBJZJFDG-UHFFFAOYSA-N 486.642 2.043 30 10 JEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC(NC(=O)c2ccsc2)CC1 1359060525 XYNBBURSRVQWTJ-UHFFFAOYSA-N 472.640 2.227 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ncccc2F)CC1 1359089500 KERXJGUCYRRZCG-PKOBYXMFSA-N 457.554 2.258 30 10 JEEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1359135300 YVOSCISJVKIJAH-AVRDEDQJSA-N 487.674 2.215 30 10 JEEE C=C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1359160969 KXEOXLIHPCXRCX-QGZVFWFLSA-N 461.588 2.400 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCS(=O)(=O)C1 1359260309 ZQYJSJJXZMETPX-KRWDZBQOSA-N 461.563 2.281 30 10 JEEE CC(=O)N1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2Cc2ccc(C#N)o2)[C@@H](C)C1 1359381517 JMTQMPZLQLKUBS-HNNXBMFYSA-N 481.944 2.431 30 10 JEEE CS(=O)(=O)c1ccc(C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1Br 1460530376 DJLVMCPDKCWOHH-AWEZNQCLSA-N 450.314 2.413 30 10 JEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H](c1ccc(F)cc1F)c1nccn1C 1472277243 IAAADTYBQPNMJA-YJYMSZOUSA-N 459.478 2.143 30 10 JEEE C#CCOc1ccc(CNC(=O)NC[C@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)cc1 1478582863 ZFNFMNYTASANCZ-NRFANRHFSA-N 453.514 2.355 30 10 JEEE C#CCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1507588081 FVOJIPRGZLWZKV-OAQYLSRUSA-N 473.599 2.454 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@H](c1cccs1)N(C)C)[C@H]1CCS(=O)(=O)C1 1507629569 ODKVSZHSOSPCLL-PKOBYXMFSA-N 472.640 2.275 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@H](c1ccc(F)cc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1507635707 UPLBQYABESFDRO-XZOQPEGZSA-N 496.612 2.333 30 10 JEEE C#CCN(c1nnc(CN2CCCC2=O)n1CCSc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1507640087 PEQIMKAOTUQIQL-IBGZPJMESA-N 487.651 2.128 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@]1(N(C)C)CCSC1 1507663028 QPKZVWHCGVTEFL-QHCPKHFHSA-N 471.652 2.249 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCO[C@@H]1C(C)C 1507705492 DPHLGZXPFHXRPN-TZIWHRDSSA-N 460.600 2.496 30 10 JEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CC(C)(C)NC(=O)OC(C)(C)C 1507710484 PIYVJIPEYFYKHB-UHFFFAOYSA-N 474.562 2.395 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 1507719971 QXIVMXQNCSHOLW-SFTDATJTSA-N 490.649 2.404 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCSCC(F)(F)F)CC1 1507739113 MUZCVNWKYNMBOR-INIZCTEOSA-N 459.538 2.433 30 10 JEEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 1507944999 YVPRTSHTCARCLS-MRXNPFEDSA-N 463.564 2.089 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@]2(CCC(=O)N2)C1 1508094830 QFURMNLDLBUILX-OAQYLSRUSA-N 479.368 2.325 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@@H](NC(=O)CC)C2)cc1 1508100949 ROAMHBGZTLFKFU-WOJBJXKFSA-N 487.626 2.288 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H]2OCCC[C@H]2C1 1508133567 JYZYKJVFBICMBU-PKOBYXMFSA-N 461.544 2.459 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1508135027 DDZIVAYPTBKHNM-GCKMJXCFSA-N 482.006 2.367 30 10 JEEE CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1CCC(=O)N1CCCCC1 1516781486 GCLYEEOOCVXHSB-GOSISDBHSA-N 472.615 2.479 30 10 JEEE CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1516972255 HOIKXJXVHBBZOH-KDURUIRLSA-N 495.584 2.120 30 10 JEEE C=C(C)Cn1c(SCC(=O)NC[C@@H]2CCC[C@]23NC(=O)N(C)C3=O)nnc1-c1ccco1 1524726186 YECVNISTCNARBL-QKKBWIMNSA-N 458.544 2.043 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CCC(=O)NCCC)[C@H]1CCS(=O)(=O)C1 1539210489 CDDBXNFWQLKPGT-SFHVURJKSA-N 463.991 2.142 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1Cc1ccc(C)n(C)c1=O 1539242025 NEXXKIIUWJKPBC-UHFFFAOYSA-N 453.344 2.174 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OC(F)(F)F)cc1 1539296287 NYWQQXNDGISLDU-OAHLLOKOSA-N 469.489 2.298 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H]1CCOc2ccccc21 1539370303 UMPQMCIIGQPYKC-RXVVDRJESA-N 473.599 2.027 30 10 JEEE C=C(Br)Cn1c(N2CCC(N3CCCC3=O)CC2)nnc1[C@@]1(OCC)CCOC1 1539608640 BOFFGLWUDUJMTK-HXUWFJFHSA-N 468.396 2.430 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccn2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1539627081 HWRRKNUNBJPCJQ-SBHAEUEKSA-N 474.631 2.429 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)c2cc(C)oc2C)CC1 1539744553 PSCZZQVYOPTQJM-FQEVSTJZSA-N 470.574 2.431 30 10 JEEE C=CCn1c(C2CCCC2)nnc1N1C[C@@H]2[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1540857295 NJNQKIXFJHJDRK-IXDOHACOSA-N 451.593 2.248 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)CC(C)(C)CN1CCOCC1 1540863831 GTESDXLIUAAKQB-UHFFFAOYSA-N 494.438 2.133 30 10 JEEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(CC)[C@H](C)C2)cc1 1540877585 ZLQYFDUSWJHCGW-MSOLQXFVSA-N 462.620 2.032 30 10 JEEE Cc1nn(C)c(N2CCN(c3nnc(C(C)C)n3CCNC(=O)Cc3cccc(F)c3)CC2)c1C#N 1543001034 ALUNUOZNDIDHMQ-UHFFFAOYSA-N 493.591 2.140 30 10 JEEE CC[C@@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cnccn2)CC1 1545689739 HRWFLLPQFKBPFV-GOSISDBHSA-N 459.558 2.238 30 10 JEEE COc1ccccc1O[C@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1 1555093393 DIFZBIHKKFLLBD-AEFFLSMTSA-N 459.572 2.396 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(Cc2ccccc2OC)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1587650402 BMLGEXKWUSCDOO-TZIWHRDSSA-N 452.603 2.278 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(=C)Br)c1 1587693158 PXKCTJOFECTVOT-INIZCTEOSA-N 492.399 2.145 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC=C)Cc1cccc(C#N)c1 1587861336 KBHOJOYOLIRODZ-OAQYLSRUSA-N 468.583 2.089 30 10 JEEE C#CCCCn1c(Cc2csc(C)n2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1587870295 YZSAEPSQUMAVEJ-QFIPXVFZSA-N 463.611 2.396 30 10 JEEE C#CCN(C)c1nnc(CCc2ccc(OC)cc2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1588006155 FQDBFMXSXPHXKN-LJQANCHMSA-N 451.493 2.404 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1CCOc1ccc(F)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 1588050315 RBUOYLCCTYQYDX-OAHLLOKOSA-N 490.948 2.233 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@H](c1cccs1)N(C)C)[C@H]1CCS(=O)(=O)C1 1588065401 YEIUDVIPBCUBSL-VQTJNVASSA-N 484.651 2.255 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCOC[C@H]1OC 1588472991 JYOWWQUBNKHNKT-TZIWHRDSSA-N 455.534 2.345 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3OCC)n2CCc2nccnc2C)CC1 1588871491 FOXHFLVJTMPLHM-UHFFFAOYSA-N 461.570 2.352 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H]2CCO[C@H]2C(C)C)CC1 1588885859 ZUPQZJVXVBVAFN-CTNGQTDRSA-N 472.634 2.223 30 10 JEEE C=C(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC=C(COC)CC1)c1ccccc1 1593789407 MLADPIVBCOZAQZ-NRFANRHFSA-N 473.599 2.107 30 10 JEEE C=CCC(C)(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)CC(=O)N1CCOCC1 1594498124 QOCIJWQZPLBFLZ-UHFFFAOYSA-N 482.633 2.349 30 10 JEEE C=CC[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(C)=O)CC1)c1ccccc1 1594544156 HEXSOKLAQVHFEL-SFTDATJTSA-N 457.600 2.209 30 10 JEEE C=CCN(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1C[C@@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1594829062 BEBXPUHIQKGFTF-SQNIBIBYSA-N 460.579 2.161 30 10 JEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(O)(Cc2cccc(C)c2)CC1 1595569956 SAAYWUAFLAYXQH-UHFFFAOYSA-N 477.613 2.324 30 10 JEEE Cc1noc(C2(C)CCN(C(=O)C3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)CC2)n1 1611445094 AHZOSXKCKUSNED-UHFFFAOYSA-N 457.556 2.231 30 10 JEEE CCOc1ccc(-c2nnc(N(C)[C@@H](C)CC#N)n2C[C@H]2CCN(S(C)(=O)=O)C2)cc1OC 1616330527 ARRJRUYBXHVLHC-IRXDYDNUSA-N 476.603 2.372 30 10 JEEE C=CCNS(=O)(=O)c1ccc(C(=O)NCc2ccccc2-c2cc(C(=O)OC)n[nH]2)cc1 1632899987 QARJQWNMWIEDNO-UHFFFAOYSA-N 454.508 2.258 30 10 JEEE C#CCN(C(=O)[C@H](Cc1cnc[nH]1)NC(=O)CC(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 1634818883 XDTJPCGZGZUQIR-FQEVSTJZSA-N 459.591 2.344 30 10 JEEE C=CCN(C)CCN(CC)CC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 1642917794 MPMFACIFQQFHOU-UHFFFAOYSA-N 458.628 2.112 30 10 JEEE C#CCn1ccc(CN(CCOC)C(=O)NCC2(c3ccc4c(c3)OCO4)CCOCC2)n1 1675806495 NTOBBMWJVOCABL-UHFFFAOYSA-N 454.527 2.151 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CC[C@H]2CCO[C@H](C)C2)c1 1689870474 PCQATFMDVXKWQC-LMNJBCLMSA-N 464.570 2.491 30 10 JEEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1689978229 POEYWFNHQLBTJA-ZCNNSNEGSA-N 487.649 2.061 30 10 JEEE C#CCN1CCN(c2nnc(-c3cnccn3)n2Cc2cc(Br)ccc2OC)CC1 1690120085 FWFIVXPOZYMSGK-UHFFFAOYSA-N 468.359 2.310 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2OCCC2(C)C)CC1 1690139461 NQMQABLTSDDWIP-NRFANRHFSA-N 499.637 2.130 30 10 JEEE C#CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1690177231 OGNIPOYMCIFGCQ-UHFFFAOYSA-N 479.585 2.195 30 10 JEEE C#CCSCCn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1690180741 KWNXJROKGSVCQJ-QHCPKHFHSA-N 474.652 2.453 30 10 JEEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1690321956 PRSYGPYPIIOUKE-NVJIOZQYSA-N 450.580 2.369 30 10 JEEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(=O)c2ccccc2F)CC1 1690328128 FQZJEXQVZUKKNO-OAHLLOKOSA-N 484.985 2.132 30 10 JEEE C=C(Cl)Cn1c(C)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)C2(CCS(=O)(=O)CC2)C1 1690330016 ATBUVRYUSQMMPL-OAHLLOKOSA-N 460.000 2.247 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2ccco2)CC1 1690432927 OQGYCDCUKSZGKV-KRWDZBQOSA-N 461.588 2.338 30 10 JEEE C=CCCCCn1c(-c2cnn(C)c2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1690459193 OWJBHJBBERAUBX-UGKGYDQZSA-N 454.623 2.414 30 10 JEEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1690644470 NIWAWCALWXLOFB-LEWJYISDSA-N 489.665 2.377 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1690659440 SNOXNZHGTPZROS-HTZLVSCSSA-N 452.559 2.047 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCC(N2CCCCC2=O)CC1 1690676296 VTBVULIKNBDXRC-UHFFFAOYSA-N 466.586 2.449 30 10 JEEE C=CCSCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCS(=O)CC1 1690735744 HPAHPMWFDUSJSF-UHFFFAOYSA-N 452.602 2.459 30 10 JEEE CCN(C)C(=O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@](F)(C#N)C1 1695504083 HDSQCMJKFYQOFM-KSFYIVLOSA-N 463.558 2.313 30 10 JEEE CO[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1697123317 AAZACDXNZAOUSZ-IBGZPJMESA-N 467.574 2.492 30 10 JEEE C[C@H]1CN(CCN(C)c2nnc(-c3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CCC2)C[C@@H](C)O1 1698458674 DBNWDKHNZAFVMU-KDURUIRLSA-N 486.642 2.329 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1CCN1CCCS1(=O)=O 1705480398 RFZCWTZZBHFLSM-CQSZACIVSA-N 452.378 2.201 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1705485144 DYVLEVCPKRVWKI-JKSUJKDBSA-N 459.480 2.263 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(c2ccc(OC)cc2)CC1 1705534746 QIYGDQSWIXSVLT-QFIPXVFZSA-N 487.626 2.417 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](CN2CCCCCC2)C1 1705534769 RAQNEFWQAPFDEQ-YADHBBJMSA-N 492.690 2.117 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[S@](=O)C(C)(C)C 1705619492 SCAYETKRCLRBIR-MKTHODDLSA-N 483.635 2.214 30 10 JEEE C#CCN1CCN(c2nnc(-c3nn(CCC)c(=O)c4ccccc34)n2C[C@@](C)(O)CCC)CC1 1705638426 KKIQADMIAFJACC-SANMLTNESA-N 477.613 2.371 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC2(N(C)C)CCOCC2)CC1 1705643007 PNGWTAPIAUNCFH-UHFFFAOYSA-N 473.021 2.377 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2CCCN2C[C@H](C)O[C@@H](C)C2)CC1 1705647425 DPDZRSPOVZBMPP-PMACEKPBSA-N 456.635 2.401 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H]2CCN(CC(F)(F)F)C2)CC1 1705647450 GNFOJLLYZJCVQZ-SFHVURJKSA-N 489.546 2.499 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CCOC2)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 1705754668 CTOZEVGBFQPMKY-QGZVFWFLSA-N 451.980 2.436 30 10 JEEE C=C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)N2CCSCC2)CC1 1705772103 HXFSUNWWVNJONP-UHFFFAOYSA-N 488.639 2.264 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)c2c(C)noc2C)CC1 1705781642 FGCMWAQUFAKKEE-HNAYVOBHSA-N 478.619 2.422 30 10 JEEE C=CCN(CC=C)c1nnc(-c2noc3c2COCC3)n1C[C@@H](N1CCOCC1)C(F)(F)F 1705873293 CYXDXPNBUKRFCB-QGZVFWFLSA-N 468.480 2.447 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCc2sccc2C1 1705930209 IGXPRCGLUZPFTP-UHFFFAOYSA-N 458.569 2.150 30 10 JEEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1705946317 FFCBEJDAKUHMRH-XHSDSOJGSA-N 479.619 2.258 30 10 JEEE COC[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1712129854 CRWMAPINUUQUIM-QGZVFWFLSA-N 459.558 2.339 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1722284026 VJTPUPGGEJECDO-IPMKNSEASA-N 463.590 2.267 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@H]1OCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1722366538 RPPYQZOGTKGEGN-AZUAARDMSA-N 460.575 2.450 30 10 JEEE C#CCN(c1nnc([C@H](C)OCCOC)n1CC1CCC(F)(F)CC1)[C@@H]1CCS(=O)(=O)C1 1722367440 WELAIXVPDPSFLP-FUHWJXTLSA-N 474.574 2.454 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1([S@@](C)=O)CCC1 1722448206 OJLQAEUVXJRECK-UUWRZZSWSA-N 482.610 2.062 30 10 JEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C)N(Cc2ccccc2)CC1 1722452219 RZNOWJUCACYWEE-UXHICEINSA-N 490.699 2.356 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)Oc1ccccc1 1722474183 MMDCJFJKDQEXNV-JXHRLWIKSA-N 473.599 2.071 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1Cl 1722475235 SGHGTYLTQQCFJW-GHTZIAJQSA-N 463.991 2.305 30 10 JEEE C=CC[C@@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](C(=O)NC)C1)c1ccccc1 1722596368 HTDBBPXSRRELQL-VXKWHMMOSA-N 463.586 2.451 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 1722682065 XBKWFZGTXVFAFH-LJQANCHMSA-N 495.646 2.386 30 10 JEEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1722683440 OVYMHSVDNKNFJC-UHFFFAOYSA-N 490.527 2.404 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(N(C)C(=O)OCC)CC1 1722695302 YZCRBBJRVYXVFI-UHFFFAOYSA-N 484.557 2.076 30 10 JEEE C=CCNC(=O)Cn1c(N2CCO[C@@H](c3cccc(C#N)c3)C2)nnc1[C@]1(OC(C)C)CCOC1 1722703976 NCCBYLSBUIUIPK-BWKNWUBXSA-N 480.569 2.070 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1722708187 LRRFHYJRZSSMTF-JOCHJYFZSA-N 468.602 2.389 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC(C)(C)O)C1 1722719054 QBJHECJWZKOCJU-SJORKVTESA-N 451.568 2.139 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1c1ccc(C)o1 1722726704 ATFUWJJJENYLCH-IAGOWNOFSA-N 468.601 2.024 30 10 JEEE COCC1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2cccc(C#N)c2)CCOCC1 1730514672 GSJVZTOVSWJWCX-HXUWFJFHSA-N 473.599 2.131 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCSCc1ccccc1F 1740550063 HOISOPUPVOKVJW-LPHOPBHVSA-N 481.619 2.141 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2C[C@H]2CCCN(C(C)=O)C2)c1 1740563226 RHVIBMQLSFCHIA-FCHUYYIVSA-N 478.597 2.487 30 10 JEEE C#CCCCCn1c(-c2ccccn2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1740570294 WKYTWVDCLYXFBM-UHFFFAOYSA-N 471.612 2.419 30 10 JEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 1740581439 XXUYUFRGDXEJED-MRXNPFEDSA-N 468.624 2.043 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1cccc(CSC)c1)[C@@H]1CCS(=O)(=O)C1 1740619876 AKIHSPYLQSBFCK-HXUWFJFHSA-N 470.624 2.217 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(C(=O)NCC)CCC1 1740676362 APZQRMIWBIXDAC-LJQANCHMSA-N 487.601 2.266 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CCCN(C(C)=O)C1 1740687451 FFFXEKODXYSMPH-NJYVYQBISA-N 488.633 2.393 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCCCN2CCC[C@H](C)C2)CC1 1740703793 AKJRDSPHHTWBFH-FQEVSTJZSA-N 464.618 2.213 30 10 JEEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(Cl)s1 1740716907 DPCGQAIUEOBAAU-HNNXBMFYSA-N 490.076 2.329 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCC[C@@H](C(=O)OC)C1 1740954518 ATQVSDHESFWIAA-GOSISDBHSA-N 471.558 2.433 30 10 JEEE CC(=O)N1CC[C@@H](CN(C)c2nnc(COc3ccc(C#N)cc3)n2CCn2cc(C)cn2)C1 1741030398 FHDLAAQZOSEPEU-NRFANRHFSA-N 462.558 2.239 30 10 JEEE CCc1nnc(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)C2CCN(S(C)(=O)=O)CC2)s1 1744515188 DNQIWZLNHMTRRA-UHFFFAOYSA-N 486.627 2.139 30 10 JEEE CN(C)C(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(OC[C@H]2CCOC2)CC1 1747538151 HBUJAGIVFKSZQY-FQEVSTJZSA-N 482.585 2.229 30 10 JEEE C#CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](OC)[C@H](OC)C1 1748718770 RVRZOQMAVABPQF-QRVBRYPASA-N 463.579 2.240 30 10 JEEE C#CCCCCn1c(Cc2c(F)cccc2F)nnc1N1CCCN(S(C)(=O)=O)CC1 1748721477 KBILRAVLZTUGRL-UHFFFAOYSA-N 451.543 2.422 30 10 JEEE C#CCCCn1c(-c2noc3c2COCC3)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 1748747375 GZUMXEFOMYHMHJ-UHFFFAOYSA-N 455.540 2.459 30 10 JEEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(CC(N)=O)CC1 1748752078 RKKDJBWSDDZBIU-SFHVURJKSA-N 460.579 2.092 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCc1ccccc1OC(F)F)[C@H]1CCS(=O)(=O)C1 1748817026 CMRKVTVGDMXWHP-MSOLQXFVSA-N 480.537 2.253 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H](CC)NC(=O)OC(C)(C)C 1748835414 BDDVUZGXZVEBBO-IBGZPJMESA-N 475.557 2.297 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CCC 1749132130 YVSLPVJKZGMVLX-MKXGPGLRSA-N 455.625 2.217 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccccc2F)nnc1N1CCS(=O)(=O)CC1 1749139119 BJVRLLSKUAXWHM-OXJNMPFZSA-N 450.536 2.212 30 10 JEEE C=C(Cl)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1749255619 DRBKTYPGQZACHU-UHFFFAOYSA-N 455.968 2.187 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCN(C(=O)C(C)C)CC2)cc1 1749683520 WGOIIEDIZPOVHQ-UHFFFAOYSA-N 466.586 2.432 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCC(=O)NC(C)C)C1 1749711801 CQMIMQMSCNSRIY-HXUWFJFHSA-N 468.606 2.148 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCN1CCOCC1(C)C 1760096386 KVXYIYPAZATTRT-QGZVFWFLSA-N 458.994 2.430 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CCC[C@@H]1NC(=O)NC1=O 1760105759 URYMZEOGARDSOK-RDJZCZTQSA-N 454.531 2.187 30 10 JEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@H](CC)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1760179581 UVDZLEIVICZKIS-PZJWPPBQSA-N 469.611 2.335 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CC1CCCC1)[C@H]1CCS(=O)(=O)C1 1760180685 JKXVWQMPCVODSO-UGKGYDQZSA-N 450.605 2.136 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@H](C)Oc1ccccc1OC)[C@@H]1CCS(=O)(=O)C1 1760189208 GOIKANLXCZOETM-PZJWPPBQSA-N 495.605 2.367 30 10 JEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1CC[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1760191254 DLLKHXVYPUVBLX-LEWJYISDSA-N 472.611 2.125 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cscc1C(F)(F)F 1760232741 CZIWVPMLWDRDLD-HNNXBMFYSA-N 477.534 2.199 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccc3nsnc3c2)CC1 1760264938 HZXVHRVOQAQEPK-UHFFFAOYSA-N 494.625 2.215 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCCN2CCOC2=O)CC1 1760265747 IKKHMBRCPVULHS-GOSISDBHSA-N 498.559 2.365 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CC2(N(C)C)CCC2)CC1 1760270647 UGXBASOOGVZBFJ-UHFFFAOYSA-N 452.578 2.458 30 10 JEEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1760282060 VNZXTIZGFMQEMW-NRFANRHFSA-N 474.675 2.063 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1sc(C)nc1C 1760337027 MCAOPCXOVBNFLW-KRWDZBQOSA-N 468.649 2.329 30 10 JEEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OCc2ccccc2)CC1 1760346326 SLNIAECYZYUZDP-LJQANCHMSA-N 459.572 2.215 30 10 JEEE C=CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](N2CCCC2=O)C1)c1ccccc1 1760418331 QRUCNJOGZGNQJA-NRSPTQNISA-N 486.642 2.449 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CCN(c2ncccn2)CC1 1760550722 HDDARORPKXUQKM-UHFFFAOYSA-N 473.990 2.316 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1760554183 UQNJGOJNLJUDQL-FQEVSTJZSA-N 497.625 2.036 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1760554947 RONVOZIIGUTCQN-QGZVFWFLSA-N 493.580 2.339 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC(N(C)c2ccccc2)CC1 1760555638 JPGBWVFNNTWMSV-LJQANCHMSA-N 459.616 2.488 30 10 JEEE COCc1cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(CC#N)CC2)ccc1F 1769341572 FHHROMXBFHFWKU-HNNXBMFYSA-N 464.567 2.352 30 10 JEEE N#Cc1ccc(OCc2nnc(N3CCC[C@@H](C(N)=O)C3)n2CCCN2CCCCC2)cc1 1771534554 GQDQBQXLHJTZSE-HXUWFJFHSA-N 451.575 2.306 30 10 JEEE N#Cc1cccc(C(=O)NCc2ccc(S(=O)(=O)NC(=O)Nc3ccc(C(N)=O)cc3)cc2)c1 1858678521 ZWYWBPBXFFGMGW-UHFFFAOYSA-N 477.502 2.098 30 10 JEEE C#CCOC(=O)NS(=O)(=O)c1ccc(CNC(=O)c2cccc(Br)c2)cc1 1858962909 SEZAOPSICMKENU-UHFFFAOYSA-N 451.298 2.427 30 10 JEEE C=CCNC(=O)[C@H]1C[C@H](O)CN1C(=O)c1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1 1861265065 GWCOBYAEGLOYPK-MAUKXSAKSA-N 450.322 2.081 30 10 JEEE C=CCNC(=O)[C@H]1CCCN1C(=O)c1ccc2c(c1)C(=O)N(CCc1ccc(OC)cc1)C2=O 1861514981 LIRCBFCFUSCVEN-JOCHJYFZSA-N 461.518 2.441 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCNC(C)=O)[C@@H]2c2ccc(O)c([N+](=O)[O-])c2)cc1C 1862406856 ZHRXLRPIDKFEPN-HXUWFJFHSA-N 469.450 2.332 30 10 JEEE COc1cc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2CCCN2CCOCC2)ccc1O 1862556892 BCFKMEKGPHWJQM-QFIPXVFZSA-N 467.522 2.284 30 10 JEEE C=CCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2C)[C@H]1c1cc(OC)c(OC)cc1OC 1864871981 VZUZOSKPJPDSML-CQSZACIVSA-N 468.432 2.462 30 10 JEEE C=CCOc1ccccc1[C@H]1C(C(=O)N2CCN(CCO)CC2)=C(N)Oc2c1c(C)nn2CC(C)C 1865223968 JCWCGSSYPFKNDN-HSZRJFAPSA-N 495.624 2.243 30 10 JEEE C=CCn1cc(OCC(=O)N=c2nc3nc(C)cc(C)n3[nH]2)c(=O)cc1CN1C[C@@H](C)C[C@@H](C)C1 1870429084 VJWWGQBBZWQMMA-CALCHBBNSA-N 479.585 2.006 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)Nc2ccc3c(c2)OCO3)cn1C[C@H](C)O 1870433946 QPMHIHYPMVAZEK-KRWDZBQOSA-N 455.511 2.149 30 10 JEEE C=CCn1cc(OCC(=O)Nc2ccc(C(=O)OCC)cc2)c(=O)cc1CN(CC)CCO 1870705500 HXRILZWLCBJTQF-UHFFFAOYSA-N 457.527 2.043 30 10 JEEE C=CCN=c1nc(Nc2ccc(C(=O)NCCN(CC)CC)cc2)[nH]c(N(CCO)CCCC)n1 1871704650 BBJVAZMEGQZWFH-UHFFFAOYSA-N 484.649 2.305 30 10 JEEE COc1ccc(-c2nc(C3=C(N)N(CCCN4CCOCC4)CC3=O)sc2C)c(OC)c1 1873528275 OYIXIANFHLIVPF-UHFFFAOYSA-N 458.584 2.370 30 10 JEEE CC1(NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)CN(C(=O)OC(C)(C)C)C1 2247882327 NEECLFPISWKWDF-UHFFFAOYSA-N 458.411 2.335 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@H](NS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2247951015 GNBNHWOZHMCJKZ-JOCQHMNTSA-N 458.411 2.381 30 10 JEEE CC1(C)OB(c2cc(C(=O)N[C@H]3CCOC[C@@H]3NC(=O)OCc3ccccc3)co2)OC1(C)C 2255543029 BETAGRAOTBEJHT-OALUTQOASA-N 470.331 2.393 30 10 JEEE C[C@H](CNS(=O)(=O)Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1)NC(=O)OC(C)(C)C 2255793956 FLJCQVWWNPURAW-OAHLLOKOSA-N 454.398 2.318 30 10 JEEE CON(CCNC(=O)OC(C)(C)C)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2255798893 AYUVVSRCNJSJBW-UHFFFAOYSA-N 476.426 2.265 30 10 JEEE CC(C)(C)OC(=O)N1CC(O)(CCNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2255878012 QNSYFYHKRKJAQE-UHFFFAOYSA-N 452.382 2.149 30 10 JEEE Cc1cc(CNC(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)sc1B1OC(C)(C)C(C)(C)O1 2256679915 OOVIJRBMCNDLQY-CQSZACIVSA-N 454.398 2.248 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](OCCNC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)C1 2267169110 IDQFXFLWNYTCTA-CQSZACIVSA-N 467.397 2.198 30 10 JEEE Cc1cc(S(=O)(=O)N[C@@H]2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)sc1B1OC(C)(C)C(C)(C)O1 2267361366 AOYXSASJWSSYCA-MIFYACCESA-N 484.449 2.499 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(NS(=O)(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267377822 KVKKQWLDZVMIRE-IVZQSRNASA-N 464.393 2.274 30 10 JEEE CO[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)c1coc(B2OC(C)(C)C(C)(C)O2)c1 2267494605 GGPXGSPYKWLMRA-CVEARBPZSA-N 450.341 2.333 30 10 JEEE CC(C)(C)OC(=O)N1CC=C[C@H](NS(=O)(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2267721296 PAJFMCYCLPJCRY-INIZCTEOSA-N 464.393 2.440 30 10 JEEE C=C(CS(=O)(=O)N(C1CN(C(=O)OC(C)(C)C)C1)[C@H]1CCOC1)B1OC(C)(C)C(C)(C)O1 2267723318 RPBSRKNQEPKCEP-INIZCTEOSA-N 472.413 2.214 30 10 JEEE Cc1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H](CO)CNC(=O)OC(C)(C)C 2270435823 AUSVLBRUBNWBCC-AWEZNQCLSA-N 452.332 2.049 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1CC[C@@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CO1 2279448184 KSMLPHZUHFJLBM-GDBMZVCRSA-N 462.356 2.034 30 10 JEEE CN(C(=O)OC(C)(C)C)C1(C(N)=O)CN(C(=O)c2scc(B3OC(C)(C)C(C)(C)O3)c2Cl)C1 2281932113 IYTLTPNBJNXXFU-UHFFFAOYSA-N 499.826 2.248 30 10 JEEE CCc1nn(C)c(C(=O)N2CC[C@@](C)(NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2281979723 PTSWSERHJWBKDD-HSZRJFAPSA-N 462.400 2.411 30 10 JEEE Cc1c(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H]3CC[C@@H]32)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281984344 BZKJGMUFNCHVDI-JKSUJKDBSA-N 460.384 2.252 30 10 JEEE Cc1c(C(=O)N[C@H]2CCOC[C@@H]2OCc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281986259 PNATVGRBWSSTOP-OALUTQOASA-N 455.364 2.132 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@@H]1CCCCN1C(=O)C(F)(F)F 2282126035 FLRSSCSDCNOJDW-HNNXBMFYSA-N 457.302 2.480 30 10 JEEE CC(C)(C)OC(=O)NCC[C@@H]1CN(C(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CCO1 2282188765 AJLJBZYTDBWOSC-GOSISDBHSA-N 461.368 2.137 30 10 JEEE C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)CCN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282534959 JIHHUYBTJWPHCC-HOTGVXAUSA-N 462.400 2.485 30 10 JEEE Cn1cc(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@@H]2C(F)F)nc1B1OC(C)(C)C(C)(C)O1 2282543261 NTUHEIYQJDLTPW-IRXDYDNUSA-N 460.334 2.215 30 10 JEEE Cn1cc(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 2282544048 RCPACQYDCUVLIP-USXIJHARSA-N 460.384 2.237 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC2CC(F)(CNC(=O)OC(C)(C)C)C2)n1 2282551145 BIIWVCDFMLUAAU-UHFFFAOYSA-N 466.363 2.092 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1NC(=O)c1c(F)cc(B2OC(C)(C)C(C)(C)O2)cc1F 2282567293 LQTYHPYHWJDUAM-JKSUJKDBSA-N 468.306 2.286 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 2282589299 LTSUCQFVLBWDNH-MRXNPFEDSA-N 462.400 2.357 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCCC12CN(C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)C2 2283060854 KDHKICFUTPYFEG-HNNXBMFYSA-N 458.368 2.295 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CC(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2283944654 PXDFKVUMGNBAOE-XJKSGUPXSA-N 465.331 2.076 30 10 JEEE CC1(C)OB(c2csnc2C(=O)NC2(C(=O)O)CCN(Cc3ccccc3)CC2)OC1(C)C 2284476676 NTCGWDXCMXLHPZ-UHFFFAOYSA-N 471.388 2.292 30 10 JEEE COC(=O)[C@H](CS(=O)(=O)Nc1sc(C)c(C)c1C#N)NC(=O)OCc1ccccc1 2286056344 XTSHAKRMWHPXPD-INIZCTEOSA-N 451.526 2.446 30 10 JEEE N#Cc1ccc(N2C[C@@H](C(N)=O)[C@@H](C3CCN(C(=O)c4ncccn4)CC3)C2)cc1C(F)(F)F 2297650217 JOTLBCUEPNSRSG-QZTJIDSGSA-N 472.471 2.457 30 10 JEEE CCOc1cc(C=Nn2c(SCC(N)=O)nnc2[C@H]2CCCO2)cc(Br)c1O 2330940454 JRTLNNOJOUUDKP-GFCCVEGCSA-N 470.349 2.456 30 10 JEEE CC(C)(C)OC(=O)NCC(C)(C)OCCNC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2337404854 JGBVPYNXQZJQLY-UHFFFAOYSA-N 469.413 2.492 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1[C@@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2 2359267669 VJACIDHIZSJYSI-OWCLPIDISA-N 460.384 2.013 30 10 JEEE COc1[nH]c(=NC[C@]2(C)CN(C(=O)OC(C)(C)C)CCO2)ccc1B1OC(C)(C)C(C)(C)O1 2365345910 KQGPQDTZMDJGTF-HSZRJFAPSA-N 463.384 2.249 30 10 JEEE COc1cc(NC(=O)CSc2nnc(N/N=C/c3ccc(OC)c(OC)c3)n2N)cc(OC)c1 20292811 AAEQLWNOXVLFGJ-FOKLQQMPSA-N 487.542 2.203 30 10 JEEE COc1cc(NC(=O)CCSc2n[nH]c(N/N=C/c3c(C)nn(CCO)c3C)n2)cc(OC)c1 59888321 VGKPAEVEEYWDIT-WSDLNYQXSA-N 488.574 2.194 30 10 JEEE CCc1cccc(OC[C@@H](O)Cn2c(N/N=C/c3ccc(C)cc3)nc3c2c(=O)n(C)c(=O)n3C)c1 606630517 SVPPOMASLNETJT-SODVTCOWSA-N 490.564 2.190 30 10 JEEE C=CCn1c(CCN2CCCCC2)nnc1SCC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 1165354179 SQNAXYORACGUBX-FQEVSTJZSA-N 459.664 2.277 30 10 JEEE C=CC[C@H]1CCCC[C@@H]1NCC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 1171921104 SIORCVAJEOBVQU-PXNSSMCTSA-N 450.561 2.152 30 10 JEEE C#C[C@H](NC(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1)c1ccc(Cl)cc1F 1222199576 JCYQKGLAGMBWHF-SFHVURJKSA-N 453.927 2.039 30 10 JEEE C#CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCO[C@@H](COC(C)C)C1 1286318831 YXPRZGQQFOUAAH-OAQYLSRUSA-N 450.547 2.355 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1CCCN1CCN(c2ccncc2)CC1)[C@@H]1CCS(=O)(=O)C1 1286386272 XUFIWMREZRBLBY-FYYLOGMGSA-N 499.685 2.026 30 10 JEEE C#CCN(c1nnc(-c2ccccc2F)n1CCCN1CCCO[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1286387296 PVUSAVYYJGHWQN-UXHICEINSA-N 489.617 2.212 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1cccc(CN(C)C)c1)[C@@H]1CCS(=O)(=O)C1 1286388297 ZTUXYWQAXHNVBC-HXUWFJFHSA-N 452.584 2.010 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@@](C)(O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1286391094 GBTASSCEQVYXHC-NFBKMPQASA-N 485.635 2.168 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCCC(C)(C)COC)[C@H]1CCS(=O)(=O)C1 1286391580 FBMLQUZAADZVPF-OALUTQOASA-N 452.621 2.252 30 10 JEEE C#CCN(c1nnc(CCOc2ccccc2)n1CCN1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1286394958 YJHFBXHDGMRIIX-QFIPXVFZSA-N 485.654 2.258 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCCn1ccnc1C 1286409640 SEOUGRRTLHDLTQ-UHFFFAOYSA-N 454.538 2.250 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC(=O)NCCC 1286426248 PGHOFQMVLVJSFO-UHFFFAOYSA-N 459.554 2.054 30 10 JEEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCC[C@H]1OC 1286462059 CNCIEHKIYDXDMP-IEBWSBKVSA-N 460.604 2.139 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)c2ccc(F)cc2)CC1 1286629044 IEWNBDPRLRRAAI-MRXNPFEDSA-N 481.981 2.471 30 10 JEEE C=CCCOCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](C(=O)NC)C1 1286710683 BYNRAOANNRSSPO-RBUKOAKNSA-N 492.621 2.142 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(N(C)C)CCCCC1)C1CC1 1286736372 DLMXGBCFEMZZHZ-IBGZPJMESA-N 466.652 2.030 30 10 JEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1OCC)C1CC1 1286738550 WOFLGFKOEVPNIY-HXUWFJFHSA-N 461.588 2.213 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCn1ccnn1 1287050659 FOTYFXNUUMALIO-HRAATJIYSA-N 459.530 2.474 30 10 JEEE CCC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ncccc2C(N)=O)CC1)OC 1293961563 BIASOIULNOUUDM-FQEVSTJZSA-N 474.569 2.452 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2C[C@H]2CCCN2CCCO)c1 1300332821 PEIGQHHGUXXHKB-JOCHJYFZSA-N 473.581 2.243 30 10 JEEE C#CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCCN(C(=O)C(C)C)CC1 1300347869 GUHXFONFGMJJOZ-UHFFFAOYSA-N 461.574 2.419 30 10 JEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](Nc2ccccc2)C1 1300365389 VSAAYQXULOSLRN-FCHUYYIVSA-N 486.642 2.495 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@H](C)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1300489160 JSOQDTMOCQFTHS-FUHWJXTLSA-N 465.023 2.351 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2cccs2)CC1 1300716887 UKANMGIITHJIRS-HSZRJFAPSA-N 457.600 2.394 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3c[nH]c4ccccc34)n2CCCC(=O)N(C)C)CC1 1300719675 LKOGWSFMFQIJKN-UHFFFAOYSA-N 461.570 2.261 30 10 JEEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN(CCN2[C@H](C)CC[C@H]2C)CC1 1300755249 PDZUEYVABABWOL-WOJBJXKFSA-N 454.648 2.096 30 10 JEEE C#CCSCCn1c(CCc2ccc(OC)cc2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1300767812 GHXLRYITJIRRBY-RUZDIDTESA-N 496.637 2.253 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](C)N1CCOCC1 1300805882 KBKCNNWXUAQOKN-WZOHSFFVSA-N 488.633 2.299 30 10 JEEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)c2ccccc2)CC1 1301251768 HXFQJBUDYFYULG-HXUWFJFHSA-N 452.559 2.221 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1301513905 BWQXPWWNEBTKBP-GOSISDBHSA-N 481.557 2.134 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](c2ccsc2)O[C@H](C)C1 1301568651 VVLGMGKNNGXYSS-SJLPKXTDSA-N 479.628 2.143 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1301587780 TXOYGNOORIRATC-HXUWFJFHSA-N 494.061 2.282 30 10 JEEE C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)N2CCCCC2)CC1)N(C)C 1303697990 CAACUNSAHUUFPO-IBGZPJMESA-N 450.591 2.495 30 10 JEEE C[C@](NCC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)(C(N)=O)c1cccc(Cl)c1 1307546100 FTETVQFEVAIYDW-NZQKXSOJSA-N 457.937 2.178 30 10 JEEE CO[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCN2CCCO)C1 1315707167 GWMUUNNSRSLBDX-IRLDBZIGSA-N 454.575 2.191 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccc(C)n3)n2C[C@@H](C)N2CCOCC2)c1 1358902260 IWMPUDKAYSDOOW-HXUWFJFHSA-N 473.581 2.425 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCc2nnc(C)s2)CC1 1359028234 LUOYOYVQSNCUBO-UHFFFAOYSA-N 464.599 2.305 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2cnc(C)s2)CC1 1359036058 LRJNWCIJUGNHEI-LJQANCHMSA-N 487.630 2.155 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)NCCCC)CC1 1359097454 PGANNSFSTMTBGE-ZVDOUQERSA-N 458.607 2.343 30 10 JEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1359343545 VLLQAPOQRMMTDA-SJORKVTESA-N 466.633 2.250 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(F)cc1Cl 1359473560 DSYPVFWKKLDKEO-KSSFIOAISA-N 484.985 2.242 30 10 JEEE C#CCn1ccc(CN(CCOC)C(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)n1 1459760588 XYAGZGXKTWORTB-UHFFFAOYSA-N 458.584 2.370 30 10 JEEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)C[C@@H]1COc2ccccc2O1 1475678070 XKTZWPXLOPDJAG-SFHVURJKSA-N 450.557 2.491 30 10 JEEE COC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1503906738 CMFTWESSXBOOOB-UHFFFAOYSA-N 460.542 2.062 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCc1ccc(S(C)(=O)=O)cc1 1507515314 XEOWDMXMARNLIQ-MRXNPFEDSA-N 452.540 2.030 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCS(=O)(=O)N1CCSCC1 1507518424 UZIJFQOFYAGQNV-IRXDYDNUSA-N 481.619 2.394 30 10 JEEE C#CCN(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1507611406 QBLMGCGMPGGMLW-GOSISDBHSA-N 461.588 2.234 30 10 JEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1cc(C(CC)CC)no1)[C@@H]1CCS(=O)(=O)C1 1507622898 OLYMIJSZUUABAY-GOSISDBHSA-N 488.614 2.081 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H](CC(C)C)N(C)C)[C@H]1CCS(=O)(=O)C1 1507628918 JBMVGOYQJMPECS-FCHUYYIVSA-N 468.627 2.420 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C)[C@H]1CCS(=O)(=O)C1 1507632113 XAOKWLITBOBXNK-PKOBYXMFSA-N 490.630 2.449 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccc(F)cc1)N(C)C 1507668597 ADODMLQQZVXOSK-PZJWPPBQSA-N 457.575 2.085 30 10 JEEE C=C(Br)Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 1507782399 DJDXDJSWAJCSPH-OAHLLOKOSA-N 487.424 2.059 30 10 JEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1507847892 RPTGBHGZRCNGFK-KDURUIRLSA-N 474.606 2.296 30 10 JEEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@]2(CCOC2)C1 1507942320 OTIVTEXBRONSDJ-JOCHJYFZSA-N 461.588 2.157 30 10 JEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1508059338 SGNHKXQLOBABDX-UXHICEINSA-N 487.605 2.491 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2oncc2C1 1508104611 JUVUBVBRJRGCPU-OAHLLOKOSA-N 458.544 2.052 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CCC(CC(N)=O)CC1 1508135748 AHGVZKISXVIVMI-UHFFFAOYSA-N 451.980 2.291 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCC[C@H]1[C@H]1CCCO1 1508142790 BISPFJYOPLWCAK-ZWKOTPCHSA-N 451.618 2.382 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)OCC)CC1 1508142960 HTYZQGOFFCHZSC-UHFFFAOYSA-N 491.614 2.353 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 1508145442 MGYFULLVNZBGQL-NRFANRHFSA-N 475.659 2.323 30 10 JEEE CC[C@H](C)NC(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1513178196 BYORBOYVUWFMIR-NLWGTHIKSA-N 481.605 2.201 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCN1c2ccccc2C[C@H]1C 1513408077 GXVIBMFMQUVFPS-XLIONFOSSA-N 451.575 2.376 30 10 JEEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2scnc2C)C1 1516022198 DYZMHCDZVQXOQG-GOSISDBHSA-N 471.612 2.342 30 10 JEEE C=CCS(=O)(=O)CCNC(=O)[C@H]1CCCN(C(=O)c2ccc(Br)cc2C)C1 1534590815 ALLQRHZUHLEFQL-HNNXBMFYSA-N 457.390 2.327 30 10 JEEE C=CCc1cc(C(=O)N[C@H]2CCS(=O)(=O)C3(CC(C(=O)OC)C3)C2)cc(OC)c1OC 1537443590 XQACJKHHWYXEGH-JQHMZKTJSA-N 451.541 2.061 30 10 JEEE C=CCOc1ccccc1CNC(=O)c1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1 1538215378 SFQMWVSQYNMNCN-UHFFFAOYSA-N 457.552 2.034 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC[S@](=O)C(C)(C)C 1539002939 YSJQEHICHIGPGE-FOGNVHKLSA-N 450.634 2.243 30 10 JEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(O)(Cc2ccccc2F)CC1 1539053367 QIZIPCNZWXSKFO-GOSISDBHSA-N 477.606 2.405 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1C[C@](C)(O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1539229471 DTYGYLCYAIGOSM-YKSBVNFPSA-N 472.611 2.262 30 10 JEEE C#CCN(c1nnc(CN2CCCC2=O)n1CCC1CC(OC(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1 1539229599 FHFWLGHIVMUENK-GPJFCIFZSA-N 491.658 2.011 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(C(C)(C)O)cc1)[C@@H]1CCS(=O)(=O)C1 1539230143 KREXNESYESIBHW-JOCHJYFZSA-N 496.637 2.042 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccc(Br)cc2)n1C[C@]1(OC)CCOC1 1539288875 IPMGVKRSZIMCJN-OAQYLSRUSA-N 459.344 2.498 30 10 JEEE C#CCN(CCOC)c1nnc(Cc2c(F)cccc2F)n1C[C@@]1(N2CCOCC2)CCSC1 1539417538 LHVPILIYEGMBLB-DEOSSOPVSA-N 491.608 2.441 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2Cc2cnn(C)c2C)CC1 1539470442 PQSRZMQXJMGHBU-UHFFFAOYSA-N 477.569 2.018 30 10 JEEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1539526400 OFHKSUAZKYWGIN-QGZVFWFLSA-N 472.640 2.227 30 10 JEEE C=C(Br)Cn1c(N(C)[C@@H](C)CS(=O)(=O)CC)nnc1[C@]1(OC(C)C)CCOC1 1539610236 WPIZVVSLNROJCC-YJBOKZPZSA-N 479.441 2.487 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](O)CC2(CCCC2)C1 1539917291 SZEIZAXLAXKVAP-MOPGFXCFSA-N 481.663 2.345 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCC[C@@H](CC(N)=O)C1 1540901463 DXKUQSFMFIDLBE-KRWDZBQOSA-N 470.599 2.129 30 10 JEEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CC(C)(C)NC(=O)OC(C)(C)C 1543315505 ACNYEEGRIKZAQL-HNNXBMFYSA-N 455.567 2.267 30 10 JEEE N#Cc1cc(F)c(S(=O)(=O)N2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)c(F)c1 1561088547 CCMILBUAHBLNLT-UHFFFAOYSA-N 459.471 2.061 30 10 JEEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)cc1 1566952854 IFGNQHPZHIXJGV-GOSISDBHSA-N 451.907 2.479 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCN1CCCO[C@H](C)C1 1587580796 SDCMXNHDQQVHSA-WOJBJXKFSA-N 488.658 2.154 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@]1(O)CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1588034814 MBZFVLZPGUXOLW-WMZHIEFXSA-N 487.582 2.421 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCc2nccnc2C)CC1 1588763553 YRGLXCGKHADSRC-UHFFFAOYSA-N 455.364 2.132 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)s3)n2CCC(=O)N(C)C)CC1 1588768713 JVXWZRONFPTDPJ-UHFFFAOYSA-N 451.394 2.003 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2CCS(=O)(=O)c2ccccc2)CC1 1588891798 UAWHSTMPEVDDTB-SFHVURJKSA-N 457.600 2.231 30 10 JEEE C#CCSCCn1c(-c2cccnc2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1589047585 BNBAAMIEQRIXFG-KNQAVFIVSA-N 467.643 2.085 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1nc([C@H](C)OCC)no1 1589528556 HETDUVGSERPSCT-RCJHGTSTSA-N 459.551 2.327 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(C)CCCO1 1595115576 LDIXJQNUTAYJCS-OFNKIYASSA-N 475.615 2.373 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCOC2)n1CCS(=O)(=O)N(C)C 1595134106 SDCSIGCAOBHNNS-SFHVURJKSA-N 451.568 2.395 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](c2ccc(OC)cc2)C1 1595754948 RNLGZEQKMYNMHM-IBGZPJMESA-N 473.599 2.117 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCOC[C@@H]1C 1595831401 PYCGNBALWPUUMB-IRXDYDNUSA-N 469.608 2.176 30 10 JEEE C#CCN1CCCN(C(=O)CCNS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 1618030002 PKMXCKJQGSIRJJ-UHFFFAOYSA-N 451.898 2.195 30 10 JEEE Cn1cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cn1 1618399391 BKJRAENLFSBOOL-AEFFLSMTSA-N 456.551 2.054 30 10 JEEE C=CCN(C(=O)c1cc(-c2ccc3c(c2)OCO3)nc2c1c(O)nc(=O)n2C)[C@@H](C)COC 1632751658 FLAKBKOGRIHSIQ-ZDUSSCGKSA-N 452.467 2.093 30 10 JEEE C#C[C@@H](NC(=O)c1cn(CC)c2cc(N3CCN(C)CC3)c(Cl)cc2c1=O)[C@H]1CCCO1 1633398030 UDECRASIRXOPKM-DENIHFKCSA-N 456.974 2.337 30 10 JEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3C[C@H](C)[S@@](=O)[C@H](CC)C3)nnc12 1641553844 ZTFYZKQVSBGHMB-NEEXFPHGSA-N 459.597 2.080 30 10 JEEE N#Cc1ccc(S(=O)(=O)N2CCN(C[C@H](O)Cc3ccc(C(F)(F)F)cc3)CC2)cc1 1657749121 BBKWKYPQZGOOIM-LJQANCHMSA-N 453.486 2.487 30 10 JEEE C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CC(=O)N(CCOc3ccccc3)C2)cc1 1670762264 DFDXWOPRMAGNAC-FUHWJXTLSA-N 456.524 2.174 30 10 JEEE C#CCOCCNC(=O)N1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CC1 1680738854 RMTOLPRVJRTUKC-UHFFFAOYSA-N 453.870 2.025 30 10 JEEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(N2CCCNC2=O)CC1 1689874787 BHXSEOQPCZNULM-UHFFFAOYSA-N 450.547 2.113 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1Cc1ncnn1-c1ccccc1)[C@H]1CCS(=O)(=O)C1 1689980756 WVQFSJIVXIONFP-MJGOQNOKSA-N 453.572 2.047 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccc(F)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 1689988533 RCEPRCAIDMCTRC-INIZCTEOSA-N 462.938 2.146 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CCC1CCC(OC)CC1)[C@@H]1CCS(=O)(=O)C1 1689994006 PCSZWDAGGPJQEZ-NJEKYYFSSA-N 471.627 2.486 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1CC1(C(=O)NCC)CCC1 1690095384 PEZWJTJXJULDMF-UHFFFAOYSA-N 463.380 2.428 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCNC(=O)C(C)(C)C 1690100787 BXYAXABLMHAXBR-UHFFFAOYSA-N 493.612 2.484 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccc(OC)c(Cl)c2)CC1 1690113562 NDETWFGHJNTJPJ-QHCPKHFHSA-N 459.978 2.396 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2OC)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1690242828 DBIGYTVOGZIOLV-LQWHRVPQSA-N 475.615 2.453 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(C)=O)CC1 1690254274 ZDYXISOHVQZOJA-NZQKXSOJSA-N 450.543 2.378 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCN1CCOC(C)(C)C1 1690433669 ZAWCPVFRVUVJTQ-GOSISDBHSA-N 453.653 2.330 30 10 JEEE C=CCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1690648187 NBHOUFYPYBGZFY-LJQANCHMSA-N 491.562 2.334 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1690665628 KHBOCBBUYNGWEO-QGZVFWFLSA-N 473.921 2.179 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 1690667825 JNFCSABOYVTTFP-SFHVURJKSA-N 464.505 2.182 30 10 JEEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)CCc1nccs1 1690669750 NYXSNTWUKWPJLL-UHFFFAOYSA-N 450.528 2.032 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1690674076 OCFVTQNJZFIQAE-UHFFFAOYSA-N 457.538 2.486 30 10 JEEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1690674742 CXQPHKDTGZGPIJ-HXUWFJFHSA-N 459.616 2.159 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1690678194 OAQAONCXVJHXOQ-SFHLNBCPSA-N 474.650 2.488 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(OCC)c(OC)c2)C1 1690699332 CRYWTFLIHVPPCO-MOPGFXCFSA-N 476.599 2.417 30 10 JEEE C=CCS(=O)(=O)CCn1c(CSc2ccc(C)cc2)nnc1N1CCNC(=O)[C@@H]1CC 1690730188 ZNNKZKIWRGNZBS-SFHVURJKSA-N 463.629 2.194 30 10 JEEE C[C@H]1CC[C@@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCS(=O)(=O)CC2)C1 1693604877 HYPWQHLCAKSLRF-ZWKOTPCHSA-N 473.599 2.293 30 10 JEEE Cn1nc2c(cc1=O)CN(c1nnc(COc3ccc(C#N)cc3)n1CCC(C)(F)F)CC2 1696883565 GCVVGXQPCOCZNX-UHFFFAOYSA-N 455.469 2.430 30 10 JEEE C#C[C@@H](C)N(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 1705495767 UZDMRZJCKKHPID-ZSXDVEMLSA-N 477.631 2.141 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1Cc1nccs1)[C@@H]1CCS(=O)(=O)C1 1705561420 QGFRAOAUWTUDCN-CYBMUJFWSA-N 481.401 2.167 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCc1ccc(F)cc1C)[C@@H]1CCS(=O)(=O)C1 1705568958 XLTGILCIDSRMSC-JOCHJYFZSA-N 484.601 2.457 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CCCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1705571476 ZLSLMYJOOPLELD-SFHVURJKSA-N 488.564 2.369 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CCC(=O)NC(C)C)CC1 1705645362 RIVLEQQFQBTNMA-UHFFFAOYSA-N 488.596 2.216 30 10 JEEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](O)(c2ccc(C)cc2)C1 1705680422 AOAIUVHPJXPFAE-BEFAXECRSA-N 484.420 2.203 30 10 JEEE C=C(Br)Cn1c(Cn2nc(C)cc2C)nnc1N(CCS(C)(=O)=O)C1CC1 1705691537 GUNYGSCOXPMZAE-UHFFFAOYSA-N 457.398 2.062 30 10 JEEE C=C(C)COCCn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1705738881 NMTICADDNHKTHD-UHFFFAOYSA-N 470.593 2.345 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)CC1COC(C)(C)OC1 1705894603 DPYUZNYEQJDPDI-UHFFFAOYSA-N 470.574 2.285 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CCNC(=O)[C@@H]1CC 1705896309 IMUDVBFTXYQACP-HNNXBMFYSA-N 481.782 2.378 30 10 JEEE C[C@@]1(C#N)CCCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCS(=O)(=O)CC2CC2)C1 1706932230 FNPKTGBTERQTDJ-QFIPXVFZSA-N 491.639 2.303 30 10 JEEE COC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCN2CCCO)CC1 1711444145 BPYKETGQQKALJE-NRFANRHFSA-N 452.559 2.053 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2CC2CCS(=O)(=O)CC2)c1 1722305483 REKKXPWNBUPZGZ-UHFFFAOYSA-N 478.578 2.221 30 10 JEEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1722332147 DOFGCPRSBKOWTE-ROUUACIJSA-N 476.578 2.277 30 10 JEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(=O)CC2CCCC2)CC1 1722332452 LGUXSXPJBCGLKF-HXUWFJFHSA-N 461.632 2.213 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2cc(COC(C)(C)C)on2)CC1 1722440145 DIVMMTQRGNQHJV-UHFFFAOYSA-N 497.625 2.376 30 10 JEEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@H]2CCOC[C@@H]2OC)CC1 1722440285 HPJZTPYWEGNBAL-GMAHTHKFSA-N 453.587 2.281 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 1722697888 QEJVUWXRDYIKLQ-QGZVFWFLSA-N 457.579 2.327 30 10 JEEE CC(C)[C@@](C)(O)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1723096645 CIDBMDVHCZLMAB-YKSBVNFPSA-N 452.559 2.371 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCOc1ccc(F)c(F)c1 1723941154 GFFPLFKVKPLAIP-JLTOFOAXSA-N 468.530 2.376 30 10 JEEE C[C@H](Oc1ccccc1F)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@@]1(O)CCS(=O)(=O)C1 1724004458 BFFNWKLQWCUSCD-SSKFGXFMSA-N 477.562 2.237 30 10 JEEE CCOC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCN2CCCO)C1 1728708370 AISYTRKFKLVTRO-FGZHOGPDSA-N 481.601 2.378 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@H](c1ccccc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1740623447 UCTLMSXBLMFYFA-BDTNDASRSA-N 471.627 2.449 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(Br)s2)n1CC1(S(C)(=O)=O)CC1 1740633342 DMMJPZQTJOSZDE-UHFFFAOYSA-N 453.387 2.419 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1740643801 OMQDFPWYCBIHHF-OAQYLSRUSA-N 486.498 2.455 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOC(C)(C)C 1740678661 GYBNUJZLTMGSIE-FQEVSTJZSA-N 493.605 2.205 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](c2ccc(C)cc2)N(C)C)CC1 1740689649 GBWLSPRPVGDCEH-QFIPXVFZSA-N 472.597 2.292 30 10 JEEE C#CCN1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCc2noc(CC)n2)CC1 1740696010 JLHRUIGZMDJJNG-UHFFFAOYSA-N 498.632 2.336 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(CC)CCCC2)CC1 1740705054 AFGMTYFBUNPSQJ-LJQANCHMSA-N 461.632 2.116 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2Cc2cnn(C)c2C)CC1 1740707753 OMIFYBVZYPJEDW-UHFFFAOYSA-N 465.533 2.052 30 10 JEEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1CCN(CC(=O)NCc2ccccc2)CC1 1740716146 SMGZKXIVUUAYQZ-UHFFFAOYSA-N 489.649 2.453 30 10 JEEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1740719607 OZPLWQPIPZDYEY-UHFFFAOYSA-N 464.555 2.260 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C2CCOCC2)CC1 1740751990 QRKIKMNIPWBKSN-SIKLNZKXSA-N 474.650 2.479 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1740759379 BTZKLXSOCOWCHL-GIWBLDEGSA-N 474.650 2.144 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1740763100 YQRMYLFZLLGBAJ-SBHAEUEKSA-N 481.663 2.404 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)OCC)CC1 1740764788 JUXVVAZRJJXKSR-MUGJNUQGSA-N 463.579 2.262 30 10 JEEE C=C(C)CN(CC)c1nnc(Cn2nc(C)cc2C)n1Cc1cccc(S(=O)(=O)NC)c1 1740775870 HZQNWFSABJVYHK-UHFFFAOYSA-N 457.604 2.499 30 10 JEEE C=CC1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CC(=O)N(C)CC)CC1 1740835252 CVYDQFNWMNHCBC-UHFFFAOYSA-N 459.620 2.427 30 10 JEEE C=CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cnn(C)c2)CC1)c1ccccc1 1740856145 ZIRICSXFFQNVGN-PZJWPPBQSA-N 498.657 2.308 30 10 JEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](Cc2ccccc2)C1 1740887957 NFZLAUMQDNKYAH-RTWAWAEBSA-N 460.600 2.221 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCO2)n1CC1(O)CCS(=O)(=O)CC1 1740924141 IBFQVJGDLRQYBW-QGZVFWFLSA-N 452.602 2.323 30 10 JEEE CC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C(C)C)N2CCOCC2)C1 1741073581 DWYYDPQSORLKNA-XZOQPEGZSA-N 465.602 2.278 30 10 JEEE CN(C)C(=O)[C@@H]1CCCN1CCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(C#N)CC1 1747526062 GLTWCQPMHVCCFL-QFIPXVFZSA-N 460.586 2.499 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](OC)C(C)(C)C)c1 1748692970 UIRYJAJGRQSLHR-OALUTQOASA-N 452.559 2.347 30 10 JEEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 1748730049 CUOCUUZWYLKTJR-UHFFFAOYSA-N 461.501 2.327 30 10 JEEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCCN(CC(F)(F)F)CC1 1748738492 GNELJRFNBUBOAV-UHFFFAOYSA-N 459.480 2.409 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1Cc1nccc(C(F)F)n1)[C@@H]1CCS(=O)(=O)C1 1748809248 QSJHAIVHCNMJQR-MRXNPFEDSA-N 488.520 2.356 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1CCCc1nc(C)no1)[C@@H]1CCS(=O)(=O)C1 1748819019 IOYGWFOICIHEGE-HXUWFJFHSA-N 468.583 2.128 30 10 JEEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1CC1(N2CCOCC2)CCCCC1 1748868140 RMBRRAYJERITGQ-SANMLTNESA-N 469.630 2.428 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCOc2cc(C)cc(C)c2)CC1 1749013981 APKVTSNDEUMKEU-NRFANRHFSA-N 451.571 2.444 30 10 JEEE C=C(Br)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H](C)CC(N)=O 1749104052 KOOOHWYYKICMPM-ZIAGYGMSSA-N 487.399 2.195 30 10 JEEE C=C(C)COCCn1c(CCc2ccccc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1749234810 JOJJZISYFSCUDD-HXUWFJFHSA-N 452.559 2.129 30 10 JEEE C=CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](NC(C)=O)C1)c1ccccc1 1749382457 MJUIWGLZZRXRTD-DUXKGJEZSA-N 474.631 2.353 30 10 JEEE C=CCCOCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1749449109 IAAWDTVPVMOMGJ-UHFFFAOYSA-N 454.984 2.104 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCC(=O)N2)n1CCN/C(O)=C1/N=CC=CC1=O 1749554799 ZRQQGGNMLXKECT-BSBNDGSWSA-N 467.555 2.010 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C(=O)C(C)C)CC1 1749736628 MOGXRKLUVBCUKA-UHFFFAOYSA-N 480.034 2.428 30 10 JEEE C=CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC(=O)N(C)C[C@H]1C 1749756182 UKGTZICPVREURQ-SJORKVTESA-N 480.635 2.173 30 10 JEEE N#Cc1ccc(CN2CCN(c3nnc([C@H]4CCCCO4)n3CC(=O)NCC(F)F)CC2)cc1 1750383804 DGBZIQHHOGAKPZ-LJQANCHMSA-N 473.528 2.095 30 10 JEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CC1(C(N)=O)CCCC1)[C@H]1CCS(=O)(=O)C1 1760181663 ZKVULMOGRQAZKS-SFHVURJKSA-N 476.002 2.271 30 10 JEEE C#CCN(c1nnc(-c2ccccc2)n1C[C@@H](C)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1760185054 OMTNPPMDYFDHGY-IEBWSBKVSA-N 473.599 2.485 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@@H]2CC(F)(F)CO2)CC1 1760271426 XPSQSYAKBAJKDK-NRFANRHFSA-N 487.551 2.462 30 10 JEEE C=CCCOCCn1c(Cc2ccccc2F)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1760451842 VMBWMKFVIUFEBD-UHFFFAOYSA-N 456.522 2.121 30 10 JEEE C=CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCCn1cc(CO)nn1 1760464566 KHYLLJFXJMTFJI-UHFFFAOYSA-N 460.583 2.189 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCc2cc(OCC)c(OCC)cc2C1 1760514958 PIUFVENTHISOGD-UHFFFAOYSA-N 482.585 2.176 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@@H](C)OC(C)(C)C1 1760515520 WQCQGZWZMOKKBU-OAHLLOKOSA-N 460.966 2.167 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1760519602 JFUAMDYXHZKLNX-UHFFFAOYSA-N 465.432 2.324 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCC2)CC1 1760532298 REQJZXNAKISZRF-SFHVURJKSA-N 474.631 2.176 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC(C(=O)Nc2ccccc2)CC1 1760553943 MOWJUDNMZOJYIS-UHFFFAOYSA-N 483.598 2.135 30 10 JEEE CC(=O)N1CCC(Cn2c(-c3nn(C)c(=O)c4ccccc34)nnc2N(C)C[C@@H](C)C#N)CC1 1760587325 DSMMZIUQRIZEHC-INIZCTEOSA-N 462.558 2.046 30 10 JEEE C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCNS(C)(=O)=O 1761522106 IEKLINHKNQUELW-YWZLYKJASA-N 450.540 2.236 30 10 JEEE CCS(=O)(=O)NCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C#N)CC1 1766731503 BVIQYBLOXOQTPJ-KRWDZBQOSA-N 481.623 2.029 30 10 JEEE CN(c1ccc(NC(=O)[C@@H]2CCCN2C(=O)C(F)(F)F)cn1)S(=O)(=O)c1ccccc1C#N 1858264128 RTTZQFYLWGPJJN-HNNXBMFYSA-N 481.456 2.270 30 10 JEEE CCC[C@@H](NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(=O)N1CCN(C(C)=O)CC1 1868783705 UHPTZKURKRBNNF-WOJBJXKFSA-N 459.616 2.000 30 10 JEEE C=CCN(CC=C)c1nc(NC(=O)Cc2ccc(OC)c(OC)c2)n([C@@H]2CCS(=O)(=O)C2)n1 1870004453 ACEGVGSSDNRRBO-QGZVFWFLSA-N 475.571 2.015 30 10 JEEE CN(C)[C@H](CNC(=O)c1nonc1OCC(=O)Nc1sc2c(c1C#N)CCC2)c1ccc(O)cc1 1872707107 CKARMNKHYOPBAZ-QGZVFWFLSA-N 496.549 2.247 30 10 JEEE O=C(O)c1ccccc1/C=N/n1c(SCCO)nnc1[C@@H]1CC(=O)N(Cc2ccccc2)C1 1874208556 IPVGABDZFBFTGZ-QJTDOHDFSA-N 465.535 2.459 30 10 JEEE COc1cccc2sc(N3CC(C(=O)N4CCC[C@@H](Oc5nccnc5C#N)C4)C3)nc12 1891600110 PABQJJZLXODOOH-OAHLLOKOSA-N 450.524 2.473 30 10 JEEE C#CCn1ncc(N[C@@H]2COCCN(C(=O)OCc3ccccc3)C2)c(Br)c1=O 2106027180 BYKJFMZSXZESGK-INIZCTEOSA-N 461.316 2.089 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1COC[C@H]1NC(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2255704086 CHKWZBCHQJUZST-UKRRQHHQSA-N 452.382 2.317 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1CN2S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2255748896 KPBUFXJHNOBUFT-UONOGXRCSA-N 470.422 2.430 30 10 JEEE C[C@@H]1[C@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)CCCN1C(=O)OC(C)(C)C 2256614226 LSEDQMJPVYCGBL-CHWSQXEVSA-N 452.386 2.233 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@](F)(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2265762617 LQDRZYRYKNKCPR-OAQYLSRUSA-N 450.320 2.454 30 10 JEEE CCN(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)C1CCN(Cc2ccccc2)CC1 2282177368 ZFXROPLYOOENLH-UHFFFAOYSA-N 453.396 2.241 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1CC[C@@H]2NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2282185971 OCADMSXLQIWACN-INMHGKMJSA-N 458.368 2.294 30 10 JEEE Cc1nc(S(=O)(=O)NCC(C)(C)N(C)Cc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)n1C 2282504702 SJKWNRHNSHJGOQ-UHFFFAOYSA-N 476.452 2.217 30 10 JEEE CC(C)(C)OC(=O)NC[C@@]12CN(C(=O)c3ncsc3B3OC(C)(C)C(C)(C)O3)C[C@H]1CCO2 2282522982 RWKILZQSSNIAMR-JLCFBVMHSA-N 479.408 2.198 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H]3CCC[C@H](C2)N3C(=O)OC(C)(C)C)n1 2282532471 XUJXRIGFQQUDGH-IYBDPMFKSA-N 460.384 2.333 30 10 JEEE Cn1cc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)[C@H]3CCC[C@H]23)nc1B1OC(C)(C)C(C)(C)O1 2282551732 FUHFORBALHIQHR-INMHGKMJSA-N 460.384 2.237 30 10 JEEE Cc1c(C(=O)N[C@]2(CF)CCN(C(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282552630 RSEXJTCWLLAPHW-QFIPXVFZSA-N 466.363 2.107 30 10 JEEE CC[C@@H]1CN(C(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CC[C@H]1NC(=O)OC(C)(C)C 2282553874 VLZYCKNDWHDCLT-NVXWUHKLSA-N 462.400 2.485 30 10 JEEE CCc1nn(C)c(C(=O)N[C@@H](C)C2CN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2282558124 FUSVRSHUMPSYBP-AWEZNQCLSA-N 462.400 2.267 30 10 JEEE CCc1nn(C)c(C(=O)N2CCC[C@@H]2CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2282562873 XAHUOFCVLWIJBT-OAHLLOKOSA-N 462.400 2.411 30 10 JEEE CCO[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)[C@H]1NC(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282675713 AQDHDTPMYYMFPD-KZNAEPCWSA-N 461.368 2.181 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@]2(NS(=O)(=O)Cc3ncsc3B3OC(C)(C)C(C)(C)O3)C[C@@H]2C1 2282839566 FZAXYBYBNNSLQP-SPLOXXLWSA-N 499.464 2.261 30 10 JEEE C=C(CS(=O)(=O)NC[C@@]1(O)C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2282866849 PTWPLLSGHQZRMX-YPGOJHLTSA-N 486.440 2.386 30 10 JEEE CO[C@H](CNC(=O)OC(C)(C)C)C(=O)N1CCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C1 2284069809 XNFHNYGERGCEMV-LJQANCHMSA-N 460.380 2.410 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@@H](CN=c2cc(B3OC(C)(C)C(C)(C)O3)c(F)c[nH]2)C1 2345724419 KZVQFEZIFMOGLE-HNNXBMFYSA-N 451.348 2.237 30 10 JEEE Cn1cc(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 2361660983 RFZQYSGOWZVQDV-FQEVSTJZSA-N 470.326 2.094 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)OC(C)(C)C 2362336195 CYPFMWUOAHRMHN-XHSDSOJGSA-N 460.384 2.237 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1 2362339171 WLLHQLJYNCMRRN-QHCPKHFHSA-N 462.400 2.486 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@H]2C[C@@H](NC(=O)c3sncc3B3OC(C)(C)C(C)(C)O3)C[C@@H]21 2368864266 IREVXSJQJXOYER-CWRNSKLLSA-N 479.408 2.339 30 10 JEEE CCOC(=O)c1sc(NC(=O)CN2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1C 28961666 XITBUPSPIFDXIR-UHFFFAOYSA-N 476.580 2.050 30 10 JEEE Cc1ncc(/C(O)=C2/C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccccc2F)c(C)n1 102753686 XJZLHWUILCOJGM-SADKCHQCSA-N 454.502 2.377 30 10 JEEE CCCCOc1ccc(C=NOCC(=O)N2CCCC[C@H]2C(=O)N2CCOCC2)cc1OC 729369058 QODGGHDJNZPURF-FQEVSTJZSA-N 461.559 2.465 30 10 JEEE CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)/C(=C(/C)NCCCc3nc(C)no3)C(=O)[C@]12C 1075947944 UROJNVRKOHIDHM-PMILPSSXSA-N 467.478 2.482 30 10 JEEE CCOc1cccc(NC(=O)CSc2n[nH]c(NN=Cc3c(C)nn(CCO)c3C)n2)c1 1083858848 DFGGBVBGSRVBLC-UHFFFAOYSA-N 458.548 2.186 30 10 JEEE C#CC[C@H](CO)NC(=O)c1cc(I)ccc1I 1160146424 ORGFYTSZAAHZOB-SECBINFHSA-N 455.033 2.010 30 10 JEEE C#CCN(C(=O)NCc1ccnc(N2CCOCC2)c1)C1CCN(C(=O)OC(C)(C)C)CC1 1222718327 FAOXFAFUISZQGN-UHFFFAOYSA-N 457.575 2.463 30 10 JEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 1286313873 GKLHKBPRBVZTDY-QGZVFWFLSA-N 482.651 2.433 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1CC[C@@H](OC)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1286393740 MOWWRUPJTGOFPG-LSDHHAIUSA-N 450.527 2.461 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCN1CCC[C@H]1C(=O)N(C)C 1286415190 LKJTYLBHICLNDH-BHIFYINESA-N 468.646 2.212 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1CC(F)(F)CNC(=O)OC(C)(C)C 1286464614 CMQPBHGGYMUYPM-INIZCTEOSA-N 457.522 2.418 30 10 JEEE C#CCN1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CCOCCC=C)CC1 1286478807 GJNVNCFSBMTWFB-UHFFFAOYSA-N 461.570 2.023 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Br)c3)n2CCNC(=O)C2CC2)CC1 1286486726 ATCWQSZAKPBPQE-UHFFFAOYSA-N 499.413 2.200 30 10 JEEE C#CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1286500151 OWSRMZHUOVZCQW-UHFFFAOYSA-N 469.611 2.395 30 10 JEEE C#CCSCCn1c(COc2ccc(F)cc2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1286510393 QZFJCSGDPFSTQS-HXUWFJFHSA-N 456.547 2.465 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC(N(C)C(=O)OCC)CC1 1286561899 DBWSVTBKJMTGEE-GCJKJVERSA-N 474.606 2.439 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1286781972 GMTMTGKSRYVTDZ-CHWSQXEVSA-N 479.404 2.319 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)CC1CCOCC1 1286786569 HHSCNTYMPDKGDR-UHFFFAOYSA-N 479.585 2.401 30 10 JEEE C=CCOc1ccc(Cn2c([C@H]3OCC[C@H]3COC)nnc2N(C)[C@H]2CCS(=O)(=O)C2)cc1 1286797289 UTTUUJRIBCSJGJ-ZJOUEHCJSA-N 476.599 2.239 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1286817794 YCRTYOIZDJAMAG-UHFFFAOYSA-N 457.478 2.289 30 10 JEEE COc1cc(Cl)ccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@](F)(C#N)C1 1299910857 GBZLTNGPPPHOFQ-XIKOKIGWSA-N 456.931 2.041 30 10 JEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(N2CCOCC2)cc1 1300408632 BXQHJLBPQDOVPR-HXUWFJFHSA-N 457.600 2.067 30 10 JEEE C#CCN(c1nnc(Cc2c[nH]c3ccccc23)n1C[C@@H](CC)OC)[C@@H]1CCS(=O)(=O)C1 1300501104 GXCGWNSGNOBLDH-RTBURBONSA-N 455.584 2.402 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cscc1C)[C@H]1CCS(=O)(=O)C1 1300505922 KIYUWYWAWVMNLX-WDSOQIARSA-N 464.613 2.047 30 10 JEEE C#CCN(CC#CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1ccc(C)n(C)c1=O 1300590745 GFBHANQIKRJRII-UHFFFAOYSA-N 497.647 2.161 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(SC)CCOCC2)CC1 1300708544 UECHUYICYHHQEX-UHFFFAOYSA-N 466.611 2.396 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CC(C)(C)OC)CC1 1300726869 SGRWABDCHOCXRZ-FQEVSTJZSA-N 453.543 2.181 30 10 JEEE C#CCSCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@@H](CC(N)=O)C1 1300741309 SCONUXOCDCMHMC-KRWDZBQOSA-N 489.671 2.005 30 10 JEEE C#CCSCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC[C@@H](C(N)=O)C1 1300763430 WDNKRSATUMZKDI-GOSISDBHSA-N 476.647 2.461 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCC(C(=O)NCCCOC)CC1 1300879761 FQDHTNOQTTVRRL-TZIWHRDSSA-N 469.590 2.085 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCO[C@@H]2C(C)C)CC1 1301126527 WCWQEEGGJJQGQX-SLFFLAALSA-N 467.636 2.075 30 10 JEEE C=CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)CCN1CCOCC1 1301218854 WBNFHPOWIAMYCK-UHFFFAOYSA-N 451.575 2.410 30 10 JEEE C=CCOc1ccc(Cn2c(Cn3nc(C)cc3C)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)cc1 1301529123 GYLMTZYASHGMKE-HXUWFJFHSA-N 470.599 2.376 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1301576624 FZTRLJZLGDGPET-CQSZACIVSA-N 493.438 2.476 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCN(C(=O)OC(C)(C)C)C1CC1 1303847365 DLSDMIGXHLBEIF-OPAMFIHVSA-N 495.650 2.418 30 10 JEEE N#Cc1ccc(OCc2nnc(N3CCS(=O)CC3)n2Cc2nccc(C(F)F)n2)cc1 1316532972 CMZKEGOHBCDBGU-UHFFFAOYSA-N 459.482 2.073 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@](C)(O)[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1358958975 ZIILKSPNYPHEAP-NBCNXNJRSA-N 475.571 2.277 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccccn2)n1C[C@@H]1CCS(=O)(=O)C1 1359017893 VRBQMEPMRPPZDN-IBGZPJMESA-N 453.543 2.478 30 10 JEEE C#CCSCCn1c(COc2ccccc2F)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1359061129 SAQYWYVEYXJKAL-MRXNPFEDSA-N 452.577 2.376 30 10 JEEE C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H]2CCC[C@@]1(C)C2 1359085053 ZRSHRGWFZZUDMM-VKJFTORMSA-N 474.425 2.289 30 10 JEEE C=C(Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](COCC)C1)c1ccccc1 1359138850 GAICDHZHKLOQCI-PZJWPPBQSA-N 475.615 2.187 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@@H](OC)C(C)(C)C1 1359291793 BRXTWIMRALMPEV-QGZVFWFLSA-N 460.966 2.025 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@H]1CSC 1359333616 DHPARQRQQONGAL-SFHVURJKSA-N 460.629 2.449 30 10 JEEE CC(C)(O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2ccccc2C#N)CC1 1359604684 BUJBVRZMUWJRBS-UHFFFAOYSA-N 465.583 2.239 30 10 JEEE CC(C)C1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(CC#N)CC2)CC1 1359667561 BHTYPSFWEQNTQT-SFHVURJKSA-N 450.609 2.177 30 10 JEEE CC(C)N(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1360097229 ACWDEIOERCAACX-HXUWFJFHSA-N 476.589 2.079 30 10 JEEE Cc1ccc(OCC(=O)N2CCN(CC(=O)Nc3c(C#N)cnn3-c3ccccc3)CC2)cc1 1459430546 DAGYQOJIJMJVLZ-UHFFFAOYSA-N 458.522 2.214 30 10 JEEE Cc1ccccc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(C#N)C1 1492593965 FIBFQUHUXMLJPI-SIKLNZKXSA-N 458.588 2.098 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2[nH]c(C)c(C)c2c1 1507539314 UMSBFDSPTARXRK-BTYIYWSLSA-N 470.599 2.215 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2CC(C)(C)C2)c1 1507548993 XMQZRYVNJMAFIG-MRXNPFEDSA-N 472.615 2.381 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H](C)c1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 1507632347 ZHXGCLQUVVAEHX-ICSRJNTNSA-N 450.568 2.474 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCCn1cc(Br)cn1 1507690807 XHEYTJXMQXJXPL-HNNXBMFYSA-N 469.409 2.079 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2c(Cl)c(C(F)(F)F)nn2C)CC1 1507719383 NLAUMSPTOBKLBT-CQSZACIVSA-N 489.930 2.211 30 10 JEEE C#CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(CC(C)C)C(=O)C1 1507751919 PKAIOBHJAFKHIV-UHFFFAOYSA-N 493.637 2.346 30 10 JEEE C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CCSCC 1507785113 NEBUMURSVMORES-CABCVRRESA-N 496.497 2.488 30 10 JEEE C=C(C)COCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(CC(C)C)C(=O)C1 1507843641 PMJXCRXMDBUCLQ-UHFFFAOYSA-N 465.558 2.491 30 10 JEEE C=CC[C@H](Cn1c(CN2CCCC2=O)nnc1N1CC[C@H](S(C)(=O)=O)C1)c1ccccc1 1507927726 CACYNQXEBMTQMQ-UXHICEINSA-N 457.600 2.384 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1508077608 ZHPICTSBQBJAFP-HSALFYBXSA-N 466.586 2.394 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCC(N2CCCCC2=O)CC1 1508092351 AYBXNDPUPFQOTP-UHFFFAOYSA-N 470.549 2.280 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CC[C@@](F)(C#N)C1 1508135270 LJDDOWYWQBORHG-OAQYLSRUSA-N 455.519 2.378 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCC(O)(c3ccccc3)CC2)nnc1[C@@]1(OCC)CCOC1 1508147980 DTXACKXBKSQWDJ-XMMPIXPASA-N 490.626 2.019 30 10 JEEE C=CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CCN2C(=O)NC[C@@H]2C1 1508152679 QFUSSRDACUDYIA-CQSZACIVSA-N 466.409 2.179 30 10 JEEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@](C)(O)c2ccsc2)CC1 1508258613 GPFWEYMGLBYNRS-HSZRJFAPSA-N 466.567 2.366 30 10 JEEE C[C@@H](Cn1c(CCc2ccccc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C)N(C)C 1510069302 BYIKYSLBRYOCRB-PMACEKPBSA-N 459.602 2.390 30 10 JEEE COc1cc(N2CCS(=O)(=O)CC2)ccc1NC(=O)[C@H]1CCCN1c1ccc(C#N)cc1 1529523765 GAXUCHMCBPHGNU-OAQYLSRUSA-N 454.552 2.409 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OCC)CCOC3)n2C[C@](C)(O)CC)c1 1539040269 PIKHHIDEMIADLX-RPWUZVMVSA-N 455.559 2.147 30 10 JEEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1539133832 MHNUDDFRMBSROK-VWLOTQADSA-N 491.640 2.373 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H]1CCOc2ccccc21 1539370304 UMPQMCIIGQPYKC-WIYYLYMNSA-N 473.599 2.027 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(Br)c3)n2CC[C@H]2COCCO2)CC1 1539434589 OLVMQLYLYXOBSS-IBGZPJMESA-N 460.376 2.268 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCN(CC)C(C)C)CC1 1539474340 PDAMLUYXMMIRJW-UHFFFAOYSA-N 466.586 2.370 30 10 JEEE C#CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1539507150 RLWWRSIDNYHBTB-HOTGVXAUSA-N 464.613 2.341 30 10 JEEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCC(Cn2ccnn2)CC1 1539579710 OWORPCPBLBNRDN-HNNXBMFYSA-N 454.373 2.419 30 10 JEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ccccc1C)C1CC1 1540109572 RQCOTUHOZZXIJZ-HXUWFJFHSA-N 461.588 2.153 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CCC[C@H](C(N)=O)C1 1540865643 NCZHMGWWWJOISL-LBPRGKRZSA-N 481.782 2.365 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1540874879 UWGPTBWKHBNFEY-YLJYHZDGSA-N 466.586 2.172 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ccc(CC)cc2)C1 1540891865 ARCOGJSBTWTFJK-FGZHOGPDSA-N 489.642 2.197 30 10 JEEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C)cc2)CC1 1540909852 QTDIUDUPPIPYNA-GOSISDBHSA-N 464.661 2.443 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@](C)(O)c1ccccc1Cl 1545928424 ABTLZTIKUDSEHC-KSFYIVLOSA-N 460.966 2.486 30 10 JEEE CCS(=O)(=O)N(C)CCCn1c(C(C)C)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1548325949 IENMXFIYIRPIIQ-UHFFFAOYSA-N 477.610 2.410 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2CCNC(=O)C(C)C)c1 1587696780 ATOHYQSDIWGXEN-UHFFFAOYSA-N 459.554 2.092 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(Br)cc2Cl)n1CCS(=O)(=O)N(C)C 1588105275 SGTZISGCYPHWAI-UHFFFAOYSA-N 484.807 2.325 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccccc1CN1CCOCC1 1588174142 QRMSGSIHFWLEQW-UHFFFAOYSA-N 483.576 2.269 30 10 JEEE C#CCN1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCC(=O)NC(C)(C)C)CC1 1588800819 OUTQVRBXDDUMBS-UHFFFAOYSA-N 460.586 2.191 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2CCC2(O)CCOCC2)CC1 1588962074 SSZMAGSMCHUIFL-UHFFFAOYSA-N 481.597 2.063 30 10 JEEE C=C(C)COCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@@](C)(C(=O)NC)C1 1593702961 AZOFHVLNBNNHOT-HSZRJFAPSA-N 489.646 2.102 30 10 JEEE C=CCC(C)(C)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1594473746 ZDWWALFHQNJACB-IBGZPJMESA-N 496.612 2.490 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1594498342 SXSMGSUGWXYDEF-GOSISDBHSA-N 466.652 2.366 30 10 JEEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C 1595267344 RWRRYCDYCAJDGX-KRWDZBQOSA-N 450.584 2.408 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1595500804 FWONBUSGHGGXLQ-UHFFFAOYSA-N 476.585 2.132 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCS[C@H](C)C1 1595650255 ZLZBZOOUKXMXKB-CVEARBPZSA-N 451.618 2.443 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccc3C)n2CCS(=O)(=O)N2CCSCC2)C1 1595737620 FFMKAABGTHEQFE-NRFANRHFSA-N 491.683 2.337 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC(CNC(C)=O)CC1 1595812696 ZBRGCSWVGKHAGK-UHFFFAOYSA-N 484.626 2.304 30 10 JEEE CC(C)CC[C@@](C)(O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1606757608 FCGAZQRDQKIXSZ-RUZDIDTESA-N 480.617 2.295 30 10 JEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC1CCN(c2cc(C)[nH]n2)CC1 1616852959 HCZJQITUBHSLMC-SFHVURJKSA-N 458.588 2.101 30 10 JEEE CN(c1ccc(CNS(=O)(=O)c2cccc(Br)c2C#N)cc1)S(C)(=O)=O 1621761376 DZQWNWLUFUVKDU-UHFFFAOYSA-N 458.359 2.195 30 10 JEEE C=CCNS(=O)(=O)c1ccc(C(=O)N(C)[C@@H]2CS(=O)(=O)c3ccc(Cl)cc32)cc1 1623653670 HZMAWNRPVVRHBX-QGZVFWFLSA-N 454.957 2.405 30 10 JEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCO[C@@H](c3ccc(OC(F)F)cc3)C2)c1 1624502816 QMTUNYCJJSRDNB-LJQANCHMSA-N 450.463 2.413 30 10 JEEE C#CC[C@]1(C(=O)NCc2ccc([C@@]3(C)NC(=O)NC3=O)cc2)CCCN1C(=O)OC(C)(C)C 1627687979 HBMRMSHIKZUHLF-DNQXCXABSA-N 454.527 2.150 30 10 JEEE C#CC[C@@]1(C(=O)N2CCc3sc(S(N)(=O)=O)cc3C2)CCCN1C(=O)OC(C)(C)C 1629816501 CNVPDRYMOBEMLM-FQEVSTJZSA-N 453.586 2.073 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H](C)CN1CCN(CC)CC1 1689841412 GBVXWZLEJUOBCI-UXHICEINSA-N 452.603 2.448 30 10 JEEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1cc(Br)ccc1F 1689946025 MCYIRUNAXIUJKX-LBPRGKRZSA-N 458.357 2.102 30 10 JEEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1689974039 ZLPMUUSHJKFTPT-FQEVSTJZSA-N 464.595 2.240 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@](C)(O)C1CCCCC1 1690098211 ZPBWJHITYCBELX-XMMPIXPASA-N 464.574 2.338 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccc(OC(C)C)nc2)CC1 1690113255 FBJLQIHQLJPVGN-RUZDIDTESA-N 468.602 2.304 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@]2(C)COCCO2)CC1 1690115552 KGBYQGOKPGWGLA-LJQANCHMSA-N 466.405 2.330 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC1 1690134739 DAAFDDBMOMABEA-VAMGGRTRSA-N 498.594 2.215 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@]2(C)COCCO2)CC1 1690137119 NZOWULMRWBURCE-BVZFJXPGSA-N 485.560 2.329 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2cc(F)cc(OC)c2)CC1 1690137665 GGRISUHTRFXBOX-RUZDIDTESA-N 485.560 2.092 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OC(C)C)CCOC2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1690194890 BIHPKTCCBZRJHL-RMUDUWAUSA-N 486.661 2.254 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@@H](SC)C1 1690244947 AZBPFRDUGAJQQK-ZRNYENFQSA-N 499.703 2.314 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1690661046 TVOOHWRXLNLRRW-MFEFFIJZSA-N 459.522 2.244 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccc(Cl)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1690677520 YUZZSIPWPIRMCV-YOEHRIQHSA-N 460.991 2.241 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCN1CCN(C(C)=O)CC1 1705491675 GQWTWGAZMDQREQ-TZIWHRDSSA-N 487.649 2.015 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H](C)c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1705566769 RATOCZQUQJAYOV-QFBILLFUSA-N 454.531 2.305 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1cccc(CN(C)C)c1)[C@@H]1CCS(=O)(=O)C1 1705571394 YRPAKEIKNHNZLQ-HSZRJFAPSA-N 478.622 2.001 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1OCC[C@H]1C 1705590223 FRZQAQOUOMIJSL-IEBWSBKVSA-N 454.600 2.435 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC2(C(N)=O)CCCC2)CC1 1705633197 LOBHJFHAUZXOOB-SFHVURJKSA-N 454.550 2.358 30 10 JEEE C#CCN1CCN(c2nnc(Cc3cn4ccccc4n3)n2CCN(C)C(=O)OC(C)(C)C)CC1 1705640986 MIHFKHJIOFAPKC-UHFFFAOYSA-N 478.601 2.139 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cc(F)ccc2F)CC1 1705643883 CWCWCFYUHWQMRW-UHFFFAOYSA-N 479.491 2.218 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)C(C)C)CC1 1705707711 PULMZCCGWBFGCC-MHTWAQMVSA-N 461.607 2.288 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1705709866 SJUSDGRZRJTHKR-VLHNPEIBSA-N 474.650 2.175 30 10 JEEE C=C(Cl)Cn1c(CC2CC2)nnc1N1C[C@@H]2[C@@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1705757448 LPJXBLQVRDHVFB-PMPSAXMXSA-N 472.011 2.110 30 10 JEEE C=CCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(CC(=O)NC(C)C)CC1 1705814828 BJVBEOMYRICSGJ-UHFFFAOYSA-N 454.575 2.329 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCN2C(=O)NC[C@@H]2C1)C(C)C 1705867429 NOEYNXZHOVYZSQ-NJYVYQBISA-N 457.623 2.432 30 10 JEEE CCCC(O)(CCC)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@H](C#N)C1 1709523768 CREKKYJFAIFMON-IBGZPJMESA-N 490.630 2.255 30 10 JEEE CCCCN(C)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@@](F)(C#N)C1 1709605977 CURWTBIAZRJETN-OAQYLSRUSA-N 462.599 2.412 30 10 JEEE CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1709900516 AFYOWWFSVCOUTP-HXUWFJFHSA-N 461.574 2.420 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2CCN2CCN(C)C(C)(C)C2)c1 1722304911 JZQSCTKHEZRJRD-UHFFFAOYSA-N 486.624 2.422 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1ccc(OCCC)nc1)[C@H]1CCS(=O)(=O)C1 1722360115 DAZXRGPPWPMQMJ-IBGZPJMESA-N 466.567 2.199 30 10 JEEE C#CCN(c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCN(C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1722361369 ZIKMKCYEEQVNKD-HXUWFJFHSA-N 481.626 2.302 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1ccc(COCC)cc1)[C@H]1CCS(=O)(=O)C1 1722363740 BNRKXNQAZFPAED-QHCPKHFHSA-N 479.606 2.475 30 10 JEEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@H]2CCOC[C@H]2OC)CC1 1722440286 HPJZTPYWEGNBAL-JTHBVZDNSA-N 453.587 2.281 30 10 JEEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1722480615 RZOMLXWMMNPYGI-IAGOWNOFSA-N 469.384 2.321 30 10 JEEE C=C(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1722518548 URKKXMKVLGEHEQ-SFHVURJKSA-N 460.604 2.489 30 10 JEEE C=CCCCn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1722614083 ANYLNXUMUTWXOY-IBGZPJMESA-N 460.604 2.246 30 10 JEEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1722701096 GDCPPKPQHOUMIJ-LJQANCHMSA-N 454.575 2.469 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1722725120 FXYOAYXHPNRTGL-UHFFFAOYSA-N 478.640 2.484 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)CC(=O)NC(C)(C)C 1722726165 XOPMJDRTHNQXSL-UHFFFAOYSA-N 490.630 2.099 30 10 JEEE C=CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1722735716 QZZLDXIIZMNFGH-QGZVFWFLSA-N 493.655 2.401 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CCC2CC(OCC)C2)c1 1740562853 NHMZVSOPCSOMQQ-MNLRITNHSA-N 464.570 2.491 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CC1(COC)CCC1)[C@H]1CCS(=O)(=O)C1 1740627553 IJDDOUQOJSYKJC-FQEVSTJZSA-N 483.594 2.172 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2Cc2cccnc2OCCOC)CC1 1740702712 WGYQSUFFEUOTBW-UHFFFAOYSA-N 454.575 2.010 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(c2nccs2)CC1 1740742818 CKQYMEBKUFRYFW-ZDUSSCGKSA-N 452.382 2.311 30 10 JEEE C=C(C)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1740784126 KTBOALDGTPSNAD-UHFFFAOYSA-N 457.604 2.343 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCOc2ccc(S(C)(=O)=O)cc2)CC1 1740838873 AIKIFILGFHSPBI-SFHVURJKSA-N 494.639 2.065 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](COCC)C1 1740850803 KTDRYNPIKDDBGX-ZWKOTPCHSA-N 455.625 2.076 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 1740965788 MQOTUOLFSIMYFR-FCEWJHQRSA-N 497.522 2.361 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1Cc2ccccc2C2(CCC2)C1 1740985389 GUQOSPOKFKITSJ-UHFFFAOYSA-N 457.600 2.459 30 10 JEEE CC[C@H](C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCCN(CC)S(C)(=O)=O 1743748426 FHADAJPCUJKLPG-SFHVURJKSA-N 474.635 2.056 30 10 JEEE CN(c1nnc(-c2ccc(C#N)cc2)n1CCCS(C)(=O)=O)[C@H]1CCCc2c1cnn2C 1747617386 FJUWRZHCQLYWSF-IBGZPJMESA-N 453.572 2.499 30 10 JEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(c2nc(CC)ns2)CC1 1748717781 IMCSZMHGSQMEJF-KRWDZBQOSA-N 477.660 2.114 30 10 JEEE C#CCN(c1nnc(CSc2ccccc2OC)n1CC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1748823918 FMZKRSDRDICWRO-QGZVFWFLSA-N 476.624 2.121 30 10 JEEE C#CCN(c1nnc(CSc2ccccc2OC)n1C[C@H](C)OC)[C@H]1CCS(=O)(=O)C1 1748824256 MNASVUZYAVCOJO-IRXDYDNUSA-N 464.613 2.241 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(Br)c2)n1CCN1CCN(C(C)=O)CC1 1748869163 WLRFLFUVNAADQR-UHFFFAOYSA-N 483.414 2.335 30 10 JEEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1(C(=O)NCC)CCC1 1748920225 FMNACTCYVCGARH-UHFFFAOYSA-N 457.604 2.004 30 10 JEEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2CC[C@H](C(F)F)N2CCOCC2)CC1 1748998874 CVNIXGBFPSTSCV-JOCHJYFZSA-N 488.583 2.277 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2CCC(=O)N[C@H](C)CC)CC1 1749016672 KKOLIJNWWMJDOS-HXUWFJFHSA-N 464.614 2.448 30 10 JEEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1749039906 FLGTZHSVNPBBQD-FPOVZHCZSA-N 455.628 2.401 30 10 JEEE C=C(Br)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(=O)NCC)CC1 1749089950 GLLWQYJFJPYZNA-UHFFFAOYSA-N 497.419 2.109 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccccc2F)nnc1N1CCN(C(=O)COC)CC1 1749140160 MYPSIYWTAPUTCZ-FDDCHVKYSA-N 473.549 2.272 30 10 JEEE COCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1749605571 AYULIIGJDUHJBH-UGKGYDQZSA-N 461.588 2.008 30 10 JEEE C=CCNC(=O)Cn1c(N(C[C@H]2CCOC2)C2CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1749682205 PLOYLYHFMGNEKL-KURKYZTESA-N 474.606 2.356 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1749736881 RHDXEANTWJLUTR-LJQANCHMSA-N 487.655 2.426 30 10 JEEE N#Cc1ccc(OCc2nnc(N3CCC(C(N)=O)CC3)n2CCOc2ncccc2F)cc1 1750383951 IEDCKARFGSGROZ-UHFFFAOYSA-N 465.489 2.044 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CC1CCC(F)(F)CC1)[C@@H]1CCS(=O)(=O)C1 1760183475 QIDGCLLLIHZVMN-QGZVFWFLSA-N 492.552 2.378 30 10 JEEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1C[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1760191795 NIASYZBXLFHVMZ-UXHICEINSA-N 458.584 2.137 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H]1CN(CC(C)C)CCO1 1760250417 ZFEWNSQCBAXMJT-OFNKIYASSA-N 469.586 2.233 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCC(=O)N(C)C)CC1 1760265476 BVNTZVWQFOQBLM-QGZVFWFLSA-N 470.549 2.001 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2csc(C(C)(C)C)n2)CC1 1760268645 NSQJZHNEWSGINP-SFHVURJKSA-N 483.642 2.192 30 10 JEEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1760283987 DHOWBHIBEZUNNX-QGZVFWFLSA-N 469.640 2.439 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(N2CCCCC2)CC1 1760316299 PJQYHVBXJWQQRX-ZJOUEHCJSA-N 480.679 2.324 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1760556193 WTVZLSUQABQPRN-ZWKOTPCHSA-N 483.635 2.219 30 10 JEEE CCn1cccc(Cn2c(CC(C)(C)C)nnc2N2CCN(c3nccnc3C#N)C[C@H]2C)c1=O 1765344236 AHUURVPLGHEEFR-GOSISDBHSA-N 475.601 2.473 30 10 JEEE CN(Cc1ncnn1CC(F)F)c1nnc(-c2cccc(C#N)c2)n1CCC1(O)CCOCC1 1768736913 FVHACJWPXOMOHW-UHFFFAOYSA-N 472.500 2.241 30 10 JEEE COCC[C@@](C)(O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1769566042 ARHWJPGBTYGBRD-WIOPSUGQSA-N 479.585 2.377 30 10 JEEE O=C(CNC(=O)[C@H]1c2ccccc2C(=O)N1Cc1ccccc1)ON1C(=O)c2ccccc2C1=O 1772788625 YHQWUBXGHPKFMK-JOCHJYFZSA-N 469.453 2.254 30 10 JEEE CCCCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H](O)C4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C 1848437245 SIHOQRQXMFGIOG-HHJIKABBSA-N 462.583 2.494 30 10 JEEE COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2CCNC(C)=O)cc1 1862696791 UIFUGPOKXBLAAN-HXUWFJFHSA-N 452.463 2.196 30 10 JEEE N#Cc1nnn(Cc2cc([N+](=O)[O-])cc3c2OCOC3)c1NC(=O)/C=C\c1ccc2c(c1)OCCO2 1870106330 IFOBWUIMSWVYQK-RQOWECAXSA-N 490.432 2.396 30 10 JEEE CCOC(=O)c1ccc(N2C[C@H](C(=O)Nc3c(C#N)nnn3-c3ccc4[nH]ncc4c3)CC2=O)cc1 1870150330 BZBHAIPGKKGITC-MRXNPFEDSA-N 484.476 2.184 30 10 JEEE C=CCn1cc(OCC(=O)N[C@H](C)c2ccccc2)c(=O)cc1CN1CCN(c2ncccn2)CC1 1870415329 XKKPJHNFNNJKRY-OAQYLSRUSA-N 488.592 2.403 30 10 JEEE C=CCNC(=O)[C@H](Cc1ccccc1)NC(=O)C1CCN(C(=O)[C@H](C)NC(=O)OC(C)(C)C)CC1 1873841587 XXFHNUBVULQJAY-RXVVDRJESA-N 486.613 2.168 30 10 JEEE COc1cc(/C=N/n2c(SCCO)nnc2[C@@H]2CC(=O)N(Cc3ccccc3)C2)ccc1O 1874208598 JUGHVLFYBCGBKK-QJTDOHDFSA-N 467.551 2.475 30 10 JEEE COc1ccccc1CCc1nnc(SCC(N)=O)n1/N=C/c1cc(OC)c(O)c(OC)c1 1874313310 OFRVHGAAIUDWHQ-WYMPLXKRSA-N 471.539 2.254 30 10 JEEE CC(C)N1C(=O)CS[C@@H](C(=O)NCCN=c2ccc(-n3cccc3)n[nH]2)[C@H]1c1ccc(C#N)cc1 1891448795 NEGIITRCFYKQMT-DNQXCXABSA-N 489.605 2.183 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H](C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1)C(F)(F)F 2124536285 QBCHNFGDAQMTLA-LBPRGKRZSA-N 460.262 2.418 30 10 JEEE CC(C)(C)OC(=O)N[C@@]1(C(=O)Nc2cc(Br)ccc2C#N)CCS(=O)(=O)C1 2181105490 LOSJLHWACXNSTJ-KRWDZBQOSA-N 458.334 2.341 30 10 JEEE CC1(C)OB(c2scnc2CS(=O)(=O)N(CCCO)Cc2ccccc2)OC1(C)C 2247904950 QTVNSTZUOOAVNL-UHFFFAOYSA-N 452.407 2.157 30 10 JEEE CC(C)(C)OC(=O)NC[C@H](O)CNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(Cl)c1 2255538223 HSTPBNGSUHANFW-CQSZACIVSA-N 454.760 2.255 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](O)CN1C(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2255810505 KQDCYPKTNZIVPC-ZIAGYGMSSA-N 452.382 2.147 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H](CO)C(=O)Nc1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)n1 2256668417 AGXMYKOJSCOARE-LBPRGKRZSA-N 455.748 2.106 30 10 JEEE C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2267473521 HDRLTBBHBWHDMM-KBPBESRZSA-N 487.453 2.260 30 10 JEEE C=C(CS(=O)(=O)NC[C@@H]1C[C@H]2COC[C@@H]2N1C(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2267721543 GRDSKONZTKAZBA-ULQDDVLXSA-N 472.413 2.118 30 10 JEEE C=C(CS(=O)(=O)NC[C@@H]1C[C@H]2OCC[C@H]2N1C(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2267726488 BLQFKQREUCJQNL-GVDBMIGSSA-N 472.413 2.260 30 10 JEEE CC(C)(C)OC(=O)NC/C=C\CNS(=O)(=O)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2268406860 NLLGJYYQDQOZKZ-HJWRWDBZSA-N 466.409 2.486 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)sc1CNC(=O)[C@H]1C[C@H](O)CN1C(=O)OC(C)(C)C 2268634509 IJZOBXITWVEJSI-LSDHHAIUSA-N 466.409 2.342 30 10 JEEE CC(C)(C)OC(=O)NC[C@H](O)CC(=O)Nc1ccc(F)c(F)c1B1OC(C)(C)C(C)(C)O1 2268647328 YQNMGAPSVFSKFX-GFCCVEGCSA-N 456.295 2.478 30 10 JEEE CN(Cc1csc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 2268714618 LJRRYOIDGLWMSS-QFIPXVFZSA-N 466.409 2.378 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@@H]1CN(CCO)C(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2281801356 DMQCOKZINFVQPT-OAHLLOKOSA-N 481.424 2.276 30 10 JEEE Cn1ncc(C(=O)NC[C@@H](CNC(=O)OC(C)(C)C)C(F)(F)F)c1B1OC(C)(C)C(C)(C)O1 2281830250 JVMQYSFUUPMXDT-LBPRGKRZSA-N 476.305 2.152 30 10 JEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCc2ccc(NC(=O)OC(C)(C)C)cc2)n1 2281952605 YQSYPAKVEJDODR-UHFFFAOYSA-N 457.340 2.391 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)C1 2281983009 XJZMVRDRIVLUFB-JKSUJKDBSA-N 462.400 2.485 30 10 JEEE CCn1cc(C(=O)NC[C@]2(F)C[C@H](NC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2282050881 PXHXUFXDBYQKHR-CAJLXGCNSA-N 466.363 2.327 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@H](CCOC)NC(=O)OC(C)(C)C 2282117020 LTJYYMADPPHASX-KRWDZBQOSA-N 465.400 2.467 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)[C@@H](C(=O)O)C1 2282179326 LHEVIMULUABPOH-QGZVFWFLSA-N 460.336 2.132 30 10 JEEE COc1ccc(S(=O)(=O)NC2CC(NC(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2282505539 FTPOMWXTFWWUMC-UHFFFAOYSA-N 482.408 2.328 30 10 JEEE Cn1cc(C(=O)N2[C@H]3CCC[C@@H]2CN(C(=O)OC(C)(C)C)C3)nc1B1OC(C)(C)C(C)(C)O1 2282550348 YAUZTWSJVZNBKL-IYBDPMFKSA-N 460.384 2.333 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@]12CC[C@@H]1CN(C(=O)OC(C)(C)C)C2 2282590761 GQSTZBIIXPJVLA-IQMFZBJNSA-N 460.384 2.332 30 10 JEEE Cc1ccc(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)cc1B1OC(C)(C)C(C)(C)O1 2282691759 OGZOBOJXYVKQAS-MJGOQNOKSA-N 460.380 2.252 30 10 JEEE CCc1cc(B2OC(C)(C)C(C)(C)O2)ccc1NC(=O)[C@@H](CC(N)=O)NC(=O)OC(C)(C)C 2283932716 KNXBUTVJTOWRMR-QGZVFWFLSA-N 461.368 2.255 30 10 JEEE Cc1nn(C)c(C(=O)N2C[C@H]3C[C@@]3(CNC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2288252470 NTWLIJZZRPXGCA-IQMFZBJNSA-N 460.384 2.015 30 10 JEEE CC(C)(C)OC(=O)NCC1(O)CN(c2ncc(B3OC(C)(C)C(C)(C)O3)cc2C(F)(F)F)C1 2288660616 ACBMITDOTCYKQY-UHFFFAOYSA-N 473.301 2.475 30 10 JEEE CCOc1ccc(C=CC(=O)[C@@H]2C[C@H](NC(=O)CN3C(=O)c4ccccc4C3=O)CCN2)cc1OC 2328071870 CRPRBIYMTGIVLO-NQIIRXRSSA-N 491.544 2.209 30 10 JEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@]12CO[C@H](C1)[C@H](NC(=O)OC(C)(C)C)C2 2359263243 NBVQJPCGSKRJJQ-LNPFQXMTSA-N 462.352 2.442 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)[C@@H]2CC[C@@H]21 2359280999 ILBSUDWMYMRSKA-UAGQMJEPSA-N 458.368 2.294 30 10 JEEE CC(C)(C)OC(=O)NC1CN(CC(=O)Nc2cc(F)c(B3OC(C)(C)C(C)(C)O3)c(F)c2)C1 2366926183 WJPSERLCZYYMQZ-UHFFFAOYSA-N 467.322 2.411 30 10 JEEE CCn1cc(C(=O)N(C)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2F)nc1B1OC(C)(C)C(C)(C)O1 2369668225 ZLVIGYZQRPGIHM-HOCLYGCPSA-N 466.363 2.232 30 10 JEEE COc1ccc(/C=N/Nc2nnc(SCC(=O)Nc3cccc(NC(C)=O)c3)n2N)cc1 20292882 PDQBJUDKQAILBY-SSDVNMTOSA-N 454.516 2.136 30 10 JEEE COc1ccc([C@H]2c3c(nc(NCc4ccc5c(c4)OCCO5)[nH]c3=O)NC(=O)[C@H]2C#N)cc1 72472557 XKRGCMKGCOVOBZ-QFBILLFUSA-N 459.462 2.386 30 10 JEEE COc1cccc(C=NNc2nnc(SCC(=O)Nc3nc4ccccc4s3)n2N)c1O 1083923264 LXWMKDRYZVMLQT-UHFFFAOYSA-N 470.540 2.493 30 10 JEEE C=CCNC(=O)c1ccccc1NC(=O)CN1C(=O)N[C@@](C)(c2cc(C)ccc2OC)C1=O 1124510746 RDZUFHKZRZHKCN-DEOSSOPVSA-N 450.495 2.325 30 10 JEEE C#CC[C@H](CCOC)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 1131709437 QTZQAZJDLLZOMH-DOTOQJQBSA-N 457.390 2.394 30 10 JEEE Cc1nc(S(=O)(=O)NCCC(=O)N(Cc2cccc(C(F)(F)F)c2)[C@H](C)C#N)cn1C 1142766742 HIGMRYHUUPBDKL-CYBMUJFWSA-N 457.478 2.357 30 10 JEEE C#CCN(c1nnc(-c2cn(C)c3ccccc23)n1C[C@@](C)(O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1286390054 VXGNQNGGTKJVAC-HOYKHHGWSA-N 469.611 2.471 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1cccc(C(C)(C)O)c1)[C@H]1CCS(=O)(=O)C1 1286393666 RKARUHQJLQMQPN-QFIPXVFZSA-N 479.606 2.166 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccc(F)c(COC)c1)[C@H]1CCS(=O)(=O)C1 1286399102 YQGQHBVZXNLYAT-AZUAARDMSA-N 462.547 2.090 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccn2C)n1CCC(=O)N1CCOCC1 1286454711 OBFZPTCMDLJVCQ-UHFFFAOYSA-N 450.518 2.311 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccc3C)n2C[C@@]2(O)CCO[C@@H]2C)n1 1286471369 LPQPOLYCGVKPRN-NLFFAJNJSA-N 464.570 2.276 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CC2(CCOCC)CCC2)CC1 1286489697 CPACSKKWIPIIFA-UHFFFAOYSA-N 451.575 2.298 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1286563141 CDGCKLCDMYZIGK-DYESRHJHSA-N 479.578 2.059 30 10 JEEE C=C(C)COCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1286600625 CKDKACVOLBJOLA-ICSRJNTNSA-N 452.559 2.455 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1286671050 OFCITTAAEROWJF-IBGZPJMESA-N 468.606 2.211 30 10 JEEE C=CCCCn1c(CSc2ccc(C)cc2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1286705466 CANCVLGIMXIPEV-UHFFFAOYSA-N 498.653 2.352 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CNC(=O)c2cccs2)n1CC(=O)N(C)C 1286741799 QPYOQMYAFIYPDS-UHFFFAOYSA-N 463.567 2.422 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC(S(=O)(=O)c2ccccc2)CC1 1286788985 MDESTGHWDVROSY-UHFFFAOYSA-N 480.594 2.009 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1286819750 UWWMZEBVHFXILA-KRWDZBQOSA-N 476.603 2.353 30 10 JEEE C=CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C)C(=O)[C@@H]1C 1286832755 YQONDGOBDMOECY-DLBZAZTESA-N 480.635 2.173 30 10 JEEE C[C@@H]1COCCN1CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1291306493 AGTVKHDOGWJDTA-CRAIPNDOSA-N 450.465 2.305 30 10 JEEE CCc1nnc(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)C[C@H](C)C(=O)NC)s1 1292797423 ATZLGCHGWQQBCB-AWEZNQCLSA-N 454.560 2.009 30 10 JEEE C#CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC(CCC(N)=O)CC1 1300385835 HOWGBVYFPPPTBM-UHFFFAOYSA-N 471.631 2.442 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H](C)c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1300487681 LCZPPLWDOZRLLI-UZLBHIALSA-N 456.547 2.248 30 10 JEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H](F)COC)[C@@H]1CCS(=O)(=O)C1 1300499066 PAYMYBVTGVAFRI-QZTJIDSGSA-N 454.955 2.134 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@H]1CCCCS1(=O)=O 1300511426 JGSCJUJEUXHLOI-GOSISDBHSA-N 472.567 2.011 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1Cc1ccc(C(N)=O)nc1 1300560712 IKUMSHXEDUSIBA-UHFFFAOYSA-N 450.506 2.340 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCC(=O)NC1CCCCC1 1300619187 UFPYQTKVPBWPSF-UHFFFAOYSA-N 461.570 2.491 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)N(C)C2CC2)CC1 1300730695 DVERSTATMIOYML-LJQANCHMSA-N 475.597 2.177 30 10 JEEE C#CCSCCn1c(COc2ccc(Br)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1300770140 OFLTXLWQTBJBFG-MRXNPFEDSA-N 491.415 2.200 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](CNC(C)=O)C1 1300895444 SBOYVMCJPBGVBB-YFNVTMOMSA-N 461.607 2.336 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@](C)(O)CCC(C)C)CC1 1301123610 COEVUTPYEMSXOF-SIKLNZKXSA-N 469.652 2.201 30 10 JEEE C=CCCOCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1301240979 JWBFMSKNRXGHRA-UHFFFAOYSA-N 484.557 2.076 30 10 JEEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1Cc2ccoc2CC(C)(C)C1 1301258652 XMWWQBBPHOASMK-HXUWFJFHSA-N 493.630 2.386 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@]2(OCC)CCOC2)n1CC1(O)CCS(=O)(=O)CC1 1301346994 MNUXGBUSTVKAPG-DEOSSOPVSA-N 490.626 2.063 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCOCC2)c(F)c1 1301390909 PHOFAXXUBIWMOJ-LJQANCHMSA-N 475.590 2.383 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1301497326 SNMLHPWMUKSYAM-HJPURHCSSA-N 453.547 2.054 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1cc(Cl)ccc1OC 1301585720 NPYFXMLHDBBBFC-INIZCTEOSA-N 467.979 2.128 30 10 JEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc([S@@](C)=O)cc1 1301612286 KWRBZSGQBYSBEE-SFNQZPIRSA-N 468.670 2.473 30 10 JEEE CC(=O)N1CCC[C@@H](Cn2c(-c3csc(N4CCOCC4)n3)nnc2N(C)C[C@@H](C)C#N)C1 1301680947 GVDUCVDKXIUIIK-FUHWJXTLSA-N 472.619 2.093 30 10 JEEE CC(C)Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC[S@@](=O)C(C)(C)C 1302954091 GLCZMLSCJZUXCJ-HYJWCJBQSA-N 458.636 2.401 30 10 JEEE CC(C)(C#N)CS(=O)(=O)N1CCC(c2nnc3n2CCN(C(=O)OC(C)(C)C)C3)CC1 1309435846 CVXJSSLFITVKIL-UHFFFAOYSA-N 452.581 2.088 30 10 JEEE CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(OC)CCCCC2)CC1 1313990098 HRJDXNKCNLWMAS-UHFFFAOYSA-N 465.602 2.424 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCCc1nc(C)no1 1358895069 CBCTYGAHWCALIX-HXUWFJFHSA-N 462.602 2.425 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H]1CCOC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1358955585 OZRFNQGNVVYWME-ONTIZHBOSA-N 499.637 2.447 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@](C)(O)[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1358966138 IODYPUSVTSGFGR-WWEVIYMKSA-N 485.610 2.153 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1CCN1CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1358966896 ZDEIZDWTZXFIBI-GMAHTHKFSA-N 469.655 2.422 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(N2CCN(CC)CC2)nc1 1358999494 SXCCXKROOAUUFO-ZCYQVOJMSA-N 491.640 2.050 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](O)(c2ccccc2F)C1 1359091824 SPUCXXJIASMHKV-ZCFPFICJSA-N 493.605 2.107 30 10 JEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(Cc2ccccc2)C[C@H]1C 1359215648 GUWGKOOEZIMARB-IFMALSPDSA-N 488.658 2.288 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCO[C@@H](C)C1)C(C)C 1359266344 YSYRTDUFNNCEFB-PWRODBHTSA-N 465.664 2.494 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1359272533 VZXGXCKKQRLKJP-UYAOXDASSA-N 472.615 2.027 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCNC(=O)c2cccc(C)c2)C1 1359311620 DXHPCCCFJFVGOQ-FQEVSTJZSA-N 475.553 2.445 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc3cccnc23)nnc1N1CCC(CNC(C)=O)CC1 1359329168 AJHAKZICGLKPBL-UHFFFAOYSA-N 482.610 2.447 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccc(C(C)=O)cc2F)CC1 1359333289 SUHCETPCNFIULH-LJQANCHMSA-N 491.589 2.051 30 10 JEEE CN(c1nnc(-c2cccc(C#N)c2)n1Cc1nccn1C(F)F)C1CCN(S(C)(=O)=O)CC1 1503414054 CZZSPFAKECGTBD-UHFFFAOYSA-N 490.540 2.317 30 10 JEEE C#CCN(c1nnc(COCC)n1Cc1nc2cccc(Cl)c2n1C)[C@@H]1CCS(=O)(=O)C1 1507638501 RNWACPFSIARPFL-OAHLLOKOSA-N 476.990 2.030 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@]1(O)CCOC1 1507699764 KNOWZJNOKDHYGQ-ZEQRLZLVSA-N 458.534 2.249 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@H](C(C)C)N2CCCC2)CC1 1507735968 BVEBNFKIIKUNPR-JOCHJYFZSA-N 451.619 2.370 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@@H](OC)C(C)(C)C1 1508075217 WQSJXMRTKGWVRL-GOSISDBHSA-N 459.547 2.134 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](Cc2ccc(F)cc2)C1 1508139499 BEQSIZZWAALEBX-IEBWSBKVSA-N 461.563 2.038 30 10 JEEE C=CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@H](NC(C)=O)C1 1508163623 VYEGDKDCQVEGCI-FQEVSTJZSA-N 470.647 2.476 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCOC[C@@H]1C 1519151123 HZVUWQIKJDCZRZ-YUXAGFNASA-N 487.626 2.377 30 10 JEEE COc1ccc(S(=O)(=O)N2CCC(CNC(=O)c3ncc(C#N)cc3C)CC2)cc1OC 1521731838 AESURCXDVSVSRL-UHFFFAOYSA-N 458.540 2.110 30 10 JEEE C#CC[C@]1(C(=O)NC2CCN(S(=O)(=O)C(C)(C)C)CC2)CCCN1C(=O)OC(C)(C)C 1538417170 RVHXEPZYOPDFSB-JOCHJYFZSA-N 455.621 2.488 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCc1sccc1C)[C@@H]1CCS(=O)(=O)C1 1539203956 WRRHWSCQUCDMHK-QGZVFWFLSA-N 484.607 2.165 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1Cc1ccc(OC)nc1)[C@@H]1CCS(=O)(=O)C1 1539204996 DOZYKPJWOKDBRR-LJQANCHMSA-N 467.551 2.032 30 10 JEEE C#CCN(c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@H](C)COC)[C@H]1CCS(=O)(=O)C1 1539206263 NXEGCLHWMSNMKL-HKUYNNGSSA-N 468.583 2.244 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCCN1CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1539231792 WMUXIOKVIFCNMS-NJDAHSKKSA-N 463.648 2.268 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CC2(O)CCCCCC2)CC1 1539484493 QZQZECCKNAWRGG-UHFFFAOYSA-N 450.587 2.315 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1cccc(C)c1 1539668763 FBGLGUYOXAIIMZ-FQEVSTJZSA-N 463.604 2.401 30 10 JEEE C=CCC(C)(C)Cn1c(N2C[C@@H](O)[C@H](CC(=O)OC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1539931820 QEFLBKYBJUMWBN-PMAPCBKXSA-N 450.580 2.281 30 10 JEEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](O)(c2ccccc2F)C1 1539953021 NPYONHHBNNZCRG-IERDGZPVSA-N 451.568 2.482 30 10 JEEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(N2CCCNC2=O)CC1 1540908239 SFAJOXRIIFXFRO-UHFFFAOYSA-N 470.603 2.229 30 10 JEEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 1540909985 UAGDNRQKTFDWNU-ZWKOTPCHSA-N 467.665 2.462 30 10 JEEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1ccc(F)cn1 1541893863 DEBHFLJLKUABSG-OAHLLOKOSA-N 458.519 2.180 30 10 JEEE CNS(=O)(=O)CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC(C#N)CC1 1554510802 IEFVRZQWGYTZGG-UHFFFAOYSA-N 473.386 2.453 30 10 JEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC(n2ccc(C(F)(F)F)n2)CC1 1566891202 HRBMEYKURMMISM-ZDUSSCGKSA-N 455.462 2.304 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1587557046 YKLKMFWBHDHHPI-ROUUACIJSA-N 460.542 2.052 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1c(CC)nn(C)c1OC 1587621775 YRGZRHFWDLBSSQ-INIZCTEOSA-N 474.569 2.486 30 10 JEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1587766072 NRGADIIPKVWKLL-HXUWFJFHSA-N 461.632 2.213 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1CCCOC)[C@@H]1CCS(=O)(=O)C1 1588034417 FRGHTNGKFDFPMF-MRXNPFEDSA-N 454.499 2.210 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCOc1ccc(F)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 1588050724 UWKVZZRJMFJEDR-INIZCTEOSA-N 492.964 2.177 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCOc1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 1588074329 LZSLFNGPBMZYIX-IEBWSBKVSA-N 464.975 2.489 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC2(N(C)C)CCOCC2)CC1 1588733359 QYYHKENUDFSRAM-UHFFFAOYSA-N 479.629 2.013 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@](C)(O)c2ccco2)CC1 1588762816 MOAYMFYBZJJLNX-DEOSSOPVSA-N 451.527 2.218 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2CC2(NC(=O)OC(C)(C)C)COC2)CC1 1588849112 ZKPDPZAVMBFNCB-UHFFFAOYSA-N 484.576 2.057 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2CCCNC(=O)c2occc2C)CC1 1588857210 KTGCDKWEFKDELR-UHFFFAOYSA-N 452.584 2.407 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCCOC)CC1 1588884731 LTJSVBJAFCCWDK-UHFFFAOYSA-N 452.559 2.150 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCSCc2ccccc2)CC1 1588924005 UGYYEYBHCWYPJK-FQEVSTJZSA-N 466.611 2.128 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1589503013 BGFFIOAAHYMOAP-FYYLOGMGSA-N 463.586 2.008 30 10 JEEE C=CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCO[C@@H](CNC(C)=O)C1 1594608517 NJGCDQIEOJRZKD-IBGZPJMESA-N 479.585 2.373 30 10 JEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](CN2CCCCC2)C1 1594626010 KENUSTYYRNSIFQ-RTWAWAEBSA-N 480.679 2.280 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCC[C@@H](OC)C1 1595536913 IRNWSBUEWRTTOU-QGZVFWFLSA-N 465.558 2.153 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCN(Cc2cscn2)CC1 1595785329 XDKNGFZUGLNBPU-UHFFFAOYSA-N 476.603 2.464 30 10 JEEE C[C@H]1CN(CCN(C)c2nnc(-c3ccc(C#N)cc3)n2CCN2CCOC[C@H]2C)C[C@@H](C)O1 1649562087 CPLXNWRUIOCRRE-NJYVYQBISA-N 467.618 2.083 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1CCS(=O)(=O)N1CCSCC1 1689840045 RKAWAOIMGCHCOR-HNNXBMFYSA-N 484.047 2.444 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 1689980468 SMQFXJOIRRASPB-IMFGXOCKSA-N 462.547 2.363 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1OCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1689983568 DBBYMAKJZYGHAE-NQIIRXRSSA-N 488.610 2.404 30 10 JEEE C#CCN(c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H](C)SC)[C@@H]1CCS(=O)(=O)C1 1689989697 HYKVYDVSLYWZHA-FCEWJHQRSA-N 462.597 2.169 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1CCc1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1689992882 QPBDJQOPHGJLHI-LJQANCHMSA-N 471.558 2.482 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H]2CCO[C@@H](C)C2)CC1 1690110558 QRUPAVVYHWJETL-AZUAARDMSA-N 471.005 2.432 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@]2(N(C)C)CCSC2)CC1 1690139467 OBFGUSXKQBEUPT-DEOSSOPVSA-N 497.625 2.256 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCS(=O)(=O)C1 1690267280 YWXMJSVDJVLSDO-MSOLQXFVSA-N 483.635 2.424 30 10 JEEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1690308722 XOZKMDDILAQZKP-FQEVSTJZSA-N 455.607 2.009 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1690344676 WZKQIVIVEYTSRY-UXHICEINSA-N 453.031 2.156 30 10 JEEE C=CCC(C)(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1690428699 ZOGKDJJPCQLHKA-INIZCTEOSA-N 480.660 2.464 30 10 JEEE C=CCn1c(N2CCN(CC(=O)Nc3ccccc3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1690653511 VENGMWFBWVTVSO-XMMPIXPASA-N 454.575 2.265 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 1690670746 IGKBEEFTRYZADL-GJZGRUSLSA-N 453.469 2.141 30 10 JEEE C=CCOc1ccc(Cn2c(C)nnc2N2CCN(S(=O)(=O)c3csc(C)n3)CC2)cc1 1690679248 ONTMOPBLQBIWMC-UHFFFAOYSA-N 474.612 2.475 30 10 JEEE CCN(CC)C(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1695587034 CFNYNVFEDKPZML-FQEVSTJZSA-N 472.615 2.479 30 10 JEEE CCN1C[C@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCO[C@@H]2C)C[C@H]1C 1695812267 DOQPWYIILVVXHW-NRAIQUKZSA-N 454.575 2.188 30 10 JEEE COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCCO[C@H](C)C2)CCO1 1697888308 CULKTANPKJESNY-DENIHFKCSA-N 454.575 2.169 30 10 JEEE COCCN(CCC#N)c1nnc(-c2cnccn2)n1Cc1cc(F)ccc1N1CCOCC1 1698060339 CKWNQFICIWEYSV-UHFFFAOYSA-N 466.521 2.126 30 10 JEEE C#CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1705508134 JPOBKXJKQHAXHU-LJQANCHMSA-N 454.962 2.476 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCOCC(F)F)[C@H]1CCS(=O)(=O)C1 1705562316 ZSNSJBNCGRNDTP-SFHVURJKSA-N 495.552 2.056 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CC1(CCOC)CCCC1)[C@H]1CCS(=O)(=O)C1 1705566674 PIQKZXJIPWITMV-PMACEKPBSA-N 464.632 2.396 30 10 JEEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCN(C)[C@H]1c1cccs1 1705604571 OVTSDGKJTVZOHP-JENIJYKNSA-N 464.661 2.492 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1705627369 FHAPAMJCXDDOMQ-FPOVZHCZSA-N 454.575 2.274 30 10 JEEE C#CCN(CCOC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@]1(O)CCO[C@H]1C 1705629066 WKRNJGUEBHETLP-UUOWRZLLSA-N 477.606 2.019 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1705646960 UYWVQPCDJHLKJT-IBGZPJMESA-N 452.559 2.071 30 10 JEEE C#CCSCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@@](F)(C#N)C1 1705653701 NKBOHGAVKSASHF-HXUWFJFHSA-N 461.592 2.355 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CCCCS1(=O)=O 1705669134 DNDZSXVZUVGOPH-QIJUGHKUSA-N 450.605 2.278 30 10 JEEE C=C(C)Cn1c(-c2ccccc2OC)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1705723865 BSQBRCFANDIRHB-UHFFFAOYSA-N 471.587 2.083 30 10 JEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1705729340 TVWSLLVAKCEIST-UHFFFAOYSA-N 459.982 2.482 30 10 JEEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCN(C(C)=O)CC1 1705755076 LKKHCIIYMZFIQM-KRWDZBQOSA-N 468.986 2.398 30 10 JEEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCNC(=O)C(C)C 1705844134 WPJYJTAFZDZVCP-QGZVFWFLSA-N 450.584 2.371 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1705899194 KRSKVRPWIPUNPT-OAHLLOKOSA-N 496.431 2.413 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H](C)O[C@H](C)C1 1705931202 IWMVTSZCWPIJRQ-CHWSQXEVSA-N 458.382 2.250 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCN([C@H](C)c2ccsc2)CC1 1705932084 KPUUCMYJJFWVOY-QGZVFWFLSA-N 475.644 2.224 30 10 JEEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H](C(C)C)C1 1705938290 UFYCPMBWGYPXMJ-MRXNPFEDSA-N 451.618 2.353 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1CCN1CCN(C(C)=O)CC1 1722277299 MCROQZFWJPVBKE-VQTJNVASSA-N 468.602 2.439 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H](C(C)C)N1CCOCC1 1722281834 WAXAQIMWCQTMLI-AZUAARDMSA-N 487.674 2.361 30 10 JEEE C#C[C@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1Cc1ccc(OCCO)c(OC)c1 1722297011 CBBZOBOIPXWLEG-SFHVURJKSA-N 460.538 2.403 30 10 JEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ncnc3sccc23)CC1 1722308945 SLKKSOXHXQGADI-MRXNPFEDSA-N 488.643 2.023 30 10 JEEE C#CCN(C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1722347982 TZCZOXAEVXWCJE-OALUTQOASA-N 473.599 2.236 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1Cc1cc(C)nn1C)[C@H]1CCS(=O)(=O)C1 1722359340 LQHPXPPPKAKLOH-KRWDZBQOSA-N 490.536 2.263 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1722382832 OSIQJIIOPYSCPJ-SFHVURJKSA-N 461.595 2.375 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCCCO2)n1Cc1ccccc1CN1CCOCC1 1722428497 GMZUOFJTXRYRRH-HSZRJFAPSA-N 453.587 2.486 30 10 JEEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2Cc2csc(COC)n2)CC1 1722440202 FSZRHEYQDBRGDQ-UHFFFAOYSA-N 452.584 2.306 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2CCN(C(C)=O)CC2)CC1 1722445080 LCCYRVFXGJVKEZ-UHFFFAOYSA-N 473.581 2.041 30 10 JEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC(NC(=O)c2ccsc2)CC1 1722453612 ZWKRZMGSVIZUPB-UHFFFAOYSA-N 460.629 2.243 30 10 JEEE C=C(C)COCCn1c(-c2ccccc2F)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1722530920 DOVMDKYXZUPWSD-UHFFFAOYSA-N 465.533 2.497 30 10 JEEE C=C(Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CCOC)C(=O)C1)c1ccccc1 1722542172 YYWURCAEIMKDSC-UNMCSNQZSA-N 455.559 2.011 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1722702723 QIECRUSKOANDFN-HXUWFJFHSA-N 454.575 2.081 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CCN(c2ccccn2)CC1 1722729686 UJOLFXDVDWSACO-UHFFFAOYSA-N 482.610 2.200 30 10 JEEE CCN(CC)C(=O)CCCn1c(C(C)C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1728348260 DYLLLCTZKGJTDH-UHFFFAOYSA-N 455.611 2.290 30 10 JEEE CCN1CCN(C[C@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N(CC)[C@H]2CCS(=O)(=O)C2)CC1 1728628641 FIWMWPHYTHYNLO-REWPJTCUSA-N 499.685 2.104 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2CC2([S@](C)=O)CC2)c1 1740562343 IUCCZDHEUVXTJQ-CVCYQNGTSA-N 455.584 2.139 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1740650810 OAVUCMDYHBYAGA-FQEVSTJZSA-N 499.637 2.485 30 10 JEEE C#CCN(CCOC)c1nnc(COc2ccc(C#N)cc2)n1CC1CCN(C(=O)OC)CC1 1740688150 MRTOTFWHDFGDAP-UHFFFAOYSA-N 466.542 2.293 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCc2ccnc(C(C)(C)C)n2)CC1 1740689374 CKHYMJIFGMEWTR-UHFFFAOYSA-N 487.612 2.401 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2Cc2ccc(OC(C)(C)C)nc2)CC1 1740690305 INOXZTFNMKPQTH-IBGZPJMESA-N 456.591 2.378 30 10 JEEE C#CCSCCn1c(COc2cc(C)ccc2C)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1740721204 ANIDOLLICLLMLU-RTBURBONSA-N 458.584 2.201 30 10 JEEE C#CCSCCn1c(COc2cccc(C)c2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1740721509 LHNFWQIIOMJLID-UHFFFAOYSA-N 491.621 2.352 30 10 JEEE C=C(C)Cn1c(Cc2ccccc2OC)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1740783201 XAPKLLNIMYWOJJ-FQEVSTJZSA-N 475.615 2.084 30 10 JEEE C=CCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCS(=O)(=O)N1CCSCC1 1740889714 JEXPHDZSHRIERI-UHFFFAOYSA-N 478.644 2.148 30 10 JEEE C=CCN(CCc1ccco1)c1nnc(C(=O)N2CCCC2)n1CC(=O)NCC(F)(F)F 1740934791 QUDRGDJRCNUTQO-UHFFFAOYSA-N 454.453 2.021 30 10 JEEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(OC[C@H]2CCOC2)CC1 1740943775 JSDREJFBXCBECJ-SFHVURJKSA-N 475.615 2.403 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1740952406 CZWRHOYZVMOHQY-RYQLBKOJSA-N 456.522 2.107 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CCNC(=O)Cc2cccc(F)c2)C1 1740979434 FDZHLMQBXJTHGA-CTNGQTDRSA-N 457.550 2.451 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(OC)cc2)nnc1N1CCOC(C)(C)[C@H]1C 1740993460 BIKQHHFIVFNJNI-QGZVFWFLSA-N 464.588 2.470 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C(N)=O)C1 1741213669 FFWAOUDUQBOUDM-OALUTQOASA-N 495.584 2.440 30 10 JEEE CCN(CC)C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N2CCOCC2)C1 1746147818 APEGLELBNXFBJR-NRFANRHFSA-N 465.602 2.234 30 10 JEEE COc1cc(Cn2c(Cc3ccccn3)nnc2N2CC[C@](F)(C#N)C2)ccc1OCCO 1748542508 CLRXGJGGZWDUNB-QHCPKHFHSA-N 452.490 2.134 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@]2(C)CCCO2)c1 1748690824 YOHRMOWCZRWVOR-DEOSSOPVSA-N 450.543 2.139 30 10 JEEE C#CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(S(=O)(=O)CC)CC1 1748713154 OPXJCBWFXOSMSZ-UHFFFAOYSA-N 482.610 2.399 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCCc1nnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1748810422 VYCBFVUVNWWLKV-MRXNPFEDSA-N 492.030 2.413 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H](C)Oc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1748818554 CHRIGPLXDZFGIY-TZIWHRDSSA-N 465.579 2.358 30 10 JEEE C=C(Br)Cn1c(N2CCN(C3CC3)C(=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1749112499 JXTOKMSVTGHIEA-IBGZPJMESA-N 454.369 2.038 30 10 JEEE C=C(C)Cn1c(COCC)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)C2(CCS(=O)(=O)CC2)C1 1749204862 UMXBPHWHDCZTLF-QGZVFWFLSA-N 483.635 2.299 30 10 JEEE C=C(C)COCCn1c(Cc2ccsc2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1749232700 SJWDZUGFAFUVEG-UHFFFAOYSA-N 467.599 2.344 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1749367678 YINXTXCQERSDPX-GOSISDBHSA-N 478.619 2.414 30 10 JEEE C=CCCOCCn1c(Cc2ccccc2C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1749457092 FYOZYKUHGGVNHR-FQEVSTJZSA-N 452.559 2.243 30 10 JEEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCOC[C@@H]2CCCO2)[C@H](C)C1 1749877556 ULMYUKDPCCETKM-XXBNENTESA-N 482.585 2.371 30 10 JEEE CC(C)CC(=O)Nc1cccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)c1 1750691921 BBSOFOUYRPVUOC-KSFYIVLOSA-N 491.593 2.363 30 10 JEEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 1760141145 KUPMPNHQTTUIHE-SFHVURJKSA-N 453.543 2.275 30 10 JEEE C#CCN1CCN(c2nnc(CCCc3ccccc3)n2CCN2CCN(C)C(C)(C)C2)CC1 1760261504 RZZISTDNBAICQW-UHFFFAOYSA-N 463.674 2.235 30 10 JEEE C#CCSCCn1c(Cc2ccccc2F)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1760284445 MPPMANJFTFCRLN-HSZRJFAPSA-N 470.574 2.189 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1(O)CCOCC1 1760288041 NZVNCYLBOGEQSJ-JOCHJYFZSA-N 457.962 2.395 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCS(=O)CC1 1760313062 IHNWTTZKVYSILU-IEBWSBKVSA-N 478.018 2.411 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc(CN2CCCC2=O)n1C[C@H]1CCCS(=O)(=O)C1 1760482502 IDXMPLOUIQYPIW-HXUWFJFHSA-N 457.600 2.418 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1760518187 LNPMYSRLFSQRGN-SFHVURJKSA-N 470.965 2.014 30 10 JEEE CCOC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCCCC2=O)CC1 1767282345 AZPWVCVRNVCQKJ-UHFFFAOYSA-N 465.558 2.498 30 10 JEEE N#Cc1ccc(-c2nnc(N3CCN(CC(F)(F)F)CC3)n2C[C@H]2CCCCS2(=O)=O)cc1 1770739847 CCRXYIKXCSODJW-GOSISDBHSA-N 482.532 2.468 30 10 JEEE O=C(C1=C(O)C(=O)N(CCO)[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2)c1c(F)cc(F)cc1F 1862466346 QSKPVZNPHNOEGY-GOSISDBHSA-N 480.351 2.354 30 10 JEEE Nc1cccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc([N+](=O)[O-])cc2)c1 1862557280 HCXGQJNMHAUBKH-OAQYLSRUSA-N 466.494 2.478 30 10 JEEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccc([N+](=O)[O-])cc1 1862738070 RVUSSOGGRUKLPE-GOSISDBHSA-N 454.395 2.217 30 10 JEEE CC[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(CCCN(C)C)C2=O)C(=O)Nc1cccc(C#N)c1 1866610353 ROJHIEBQTWRDRM-OAQYLSRUSA-N 461.522 2.253 30 10 JEEE C=CCn1cc(OCC(=O)NC[C@H]2CCCO2)c(=O)cc1CNc1cccc(NC(C)=O)c1 1870983231 OOOAYNBIIWAZJA-OAQYLSRUSA-N 454.527 2.279 30 10 JEEE COc1ccc2[nH]c(C(=O)O)c(/C=N/n3c(SCC(=O)NC4CCCC4)nnc(C)c3=O)c2c1 1873495452 SPNCYZHRVSMVOD-AUEPDCJTSA-N 484.538 2.168 30 10 JEEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)c3ccncc3Br)CC2)CC1 1889332511 AAGFINFYNNDING-UHFFFAOYSA-N 463.420 2.495 30 10 JEEE N#Cc1ccccc1S(=O)(=O)N1CC[C@@H](COc2ccc3nnc(C(F)(F)F)n3n2)C1 1890307551 SRDOOHWCXNWASW-GFCCVEGCSA-N 452.418 2.104 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)NCCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2180980354 HUQCWQYKFCLVRJ-IBGZPJMESA-N 460.380 2.280 30 10 JEEE N#C[C@H]1CN(S(=O)(=O)c2ccc(NN)cc2Br)CCN1Cc1ccccc1 2240935410 VIDZXTPMNQMOAU-INIZCTEOSA-N 450.362 2.133 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)Nc2n[nH]c(C3CN(C(=O)OC(C)(C)C)C3)n2)C1 2266490997 VDGRLCFOUBXKDM-UHFFFAOYSA-N 460.535 2.384 30 10 JEEE CS[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1 2267486212 JXZNQHIXTGYESC-SJORKVTESA-N 463.409 2.462 30 10 JEEE CC(C)(C)OC(=O)N[C@@]1(C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)CCCOC1 2268718826 UYQVZCODQVWRCT-NRFANRHFSA-N 467.397 2.132 30 10 JEEE CN1CCN(C(=O)OC(C)(C)C)C[C@H]1CNc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2268996018 BGHURBMDZWKKRI-MRXNPFEDSA-N 450.364 2.483 30 10 JEEE CC(C)(C)OC(=O)NCC1(O)CCN(C(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)CC1 2281948092 SDOYEBBVKYAVGC-UHFFFAOYSA-N 460.380 2.478 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(OC)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2281966259 IKFXTSPSKKCYLE-OAHLLOKOSA-N 464.372 2.215 30 10 JEEE CCn1cc(C(=O)NC[C@H]2[C@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)nc1B1OC(C)(C)C(C)(C)O1 2282037082 QXCRKORFDOSJQI-YQQAZPJKSA-N 460.384 2.187 30 10 JEEE CC(C)(C)OC(=O)NC1(C2CN(S(=O)(=O)c3cncc(B4OC(C)(C)C(C)(C)O4)c3)C2)CC1 2282344267 ASUBEHZMPQRIOI-UHFFFAOYSA-N 479.408 2.059 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(NS(=O)(=O)c2ccc(F)cc2B2OC(C)(C)C(C)(C)O2)C1 2282513118 XUGHFBQBPJPPEH-JLCFBVMHSA-N 482.383 2.413 30 10 JEEE Cc1c(C(=O)NCCCOCCOCc2ccccc2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282554620 GPOWINLBPZTPDE-UHFFFAOYSA-N 457.380 2.381 30 10 JEEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@@H](COCc3ccccc3)C(=O)O)c(F)c2)OC1(C)C 2284395565 MVFQTENHNKAXBK-SFHVURJKSA-N 479.335 2.073 30 10 JEEE C#CCOC[C@H](O)CN(CCN1CCOCC1)Cc1c(-c2ccccc2)noc1N(CC)CC 36208280 HUVHGALYXJCBSW-HSZRJFAPSA-N 470.614 2.333 30 10 JEEE Cc1cc(C)cc(-n2c(=C(C#N)C(=O)NCC(C)C)sc(=Cc3cnn4ccccc34)c2=O)c1 729668402 HZVZTOPERRBVQE-UHFFFAOYSA-N 471.586 2.439 30 10 JEEE CCOC(=O)c1ccc(NC(=O)CN2C(=O)C(=NNC(N)=S)c3cc(Cl)ccc32)cc1 1080436687 UVYSHVHDUUVVMH-UHFFFAOYSA-N 459.915 2.039 30 10 JEEE CN(CC(F)F)C1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 1137019452 FYLQDUGGTDDCCF-UHFFFAOYSA-N 454.543 2.147 30 10 JEEE C#CCC1(O)CCN(C(=O)c2ccccc2NS(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1153261633 AFFWCTFZHVQPLL-UHFFFAOYSA-N 456.520 2.249 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC=C)Cc1ccccc1F 1286349350 ICYGOXVAFDWCRR-FQEVSTJZSA-N 461.563 2.356 30 10 JEEE C#CCN(c1nnc(C2CC2)n1CCCc1cc(OC)ccc1OC)[C@H]1CCS(=O)(=O)C1 1286389296 HUJYZBHDTSZCEM-IBGZPJMESA-N 458.584 2.432 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H](c1cccnc1)C(C)C)[C@H]1CCS(=O)(=O)C1 1286389694 OSTWXQIPWCEEAI-LEWJYISDSA-N 467.599 2.140 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CCN1CCCC[C@H]1CC)[C@H]1CCS(=O)(=O)C1 1286393180 PEVDMWDBZORHGI-YADHBBJMSA-N 470.643 2.155 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCSCc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1286394147 NOMLETHPDGVYDT-IEBWSBKVSA-N 478.615 2.481 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccn3C)n2C[C@@H]2CCC[C@@H](O)C2)n1 1286470883 DKUNNTXMPJMRHN-TZIWHRDSSA-N 451.575 2.317 30 10 JEEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2C[C@]2(N(C)C)CCSC2)CC1 1286483327 GZXWPVQNGXHFQZ-XMMPIXPASA-N 454.644 2.092 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H]2CCCCS2(=O)=O)CC1 1286484796 XTZHOPHVBHQLDF-FQEVSTJZSA-N 478.018 2.233 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](OC)[C@H](OC)C1 1286550460 CVFWCUMTXXWMOW-AYWYSENESA-N 476.599 2.180 30 10 JEEE C=CCN(Cc1cccs1)c1nnc(-c2noc3c2COCC3)n1CCS(=O)(=O)N(C)C 1286749265 ODBSQMKLOHYMFA-UHFFFAOYSA-N 478.600 2.151 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCc2nnc(C)s2)C1 1286799146 RXIPJVAGFKFMNO-INIZCTEOSA-N 454.560 2.499 30 10 JEEE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CCC2)C1 1286844367 FRPACUVZYUDTOC-IBGZPJMESA-N 470.599 2.089 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1CCC(=O)N1CCOCC1 1300323399 ZNAZWRMQOHBUMT-MRXNPFEDSA-N 476.375 2.326 30 10 JEEE C#CCCCn1c(-c2ccccc2)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1300398948 DHDCMUFYMGFKEK-AQNXPRMDSA-N 485.610 2.485 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1ccc(NC(=O)N(C)C)cc1)[C@H]1CCS(=O)(=O)C1 1300489064 ZVKRGSSNUQOMGK-FQEVSTJZSA-N 493.593 2.109 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCc1cc(C)cc(C)c1)[C@H]1CCS(=O)(=O)C1 1300505855 JOZYPJMVXXCJNJ-VABKMULXSA-N 486.638 2.488 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCSC1(C)C)[C@H]1CCS(=O)(=O)C1 1300506201 PAKVNBLNSKQFOJ-VJANTYMQSA-N 482.672 2.161 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccc(F)cc2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1300548562 KOYVVXBQOVEBOZ-SFTDATJTSA-N 479.535 2.415 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2CC2(S(C)(=O)=O)CCCC2)CC1 1300693559 ZZLPODNYXUVTCX-UHFFFAOYSA-N 457.600 2.066 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2CCNC(=O)c2ccc(C)cc2)CC1 1300712892 XJTRATPOXFADCH-LJQANCHMSA-N 450.587 2.496 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2c(F)cccc2OC(F)F)CC1 1300719794 QCKHETDSRORBMZ-UHFFFAOYSA-N 487.486 2.433 30 10 JEEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1CN(CC(C)C)CCO1 1301294498 QZTLCSNNKQKIPR-OAQYLSRUSA-N 454.623 2.431 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1301478004 GORUPWKLFDZUDR-YZGWKJHDSA-N 452.559 2.311 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@@]2(CCCOC2)C1 1301482969 GLDWKVBZDKDGJD-DEOSSOPVSA-N 471.558 2.280 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CCO[C@@H](Cn2cccn2)C1 1301491592 LUMWWCQRHLLRFL-MRXNPFEDSA-N 486.374 2.112 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC2(C(N)=O)CCOCC2)C1 1301545313 FHXCTZAWMVVVAR-GOSISDBHSA-N 471.558 2.026 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCN2C(=O)CC[C@H]2C1 1301568266 FOSKRYYAOQSNAH-UXHICEINSA-N 487.626 2.447 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(C(=O)N2CCCC2)CC1 1301576536 DDXIEQKVNLWCRT-UHFFFAOYSA-N 493.033 2.433 30 10 JEEE CCC(CC)c1cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)on1 1305713683 BDDUVVVJMBXRNN-ORAYPTAESA-N 453.544 2.270 30 10 JEEE CCC[C@](C)(O)Cn1c(Cc2ccncc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1306539821 ADUCOHIPARKJGS-KOSHJBKYSA-N 461.574 2.192 30 10 JEEE C#CCCN1CCN(CC(=O)Nc2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)CC1 1307654868 UIVAZXWQMIFAQC-UHFFFAOYSA-N 454.596 2.087 30 10 JEEE C#Cc1cccc(NC(=O)NC(=O)CN2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)c1 1307907694 HKKNDOYXGBAWAO-UHFFFAOYSA-N 453.506 2.400 30 10 JEEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1conc1COC 1358895896 SUXSBXZDOKLZLA-FQEVSTJZSA-N 463.586 2.283 30 10 JEEE C#CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1358903699 GWNUSUOQKLOGHS-HXUWFJFHSA-N 488.013 2.292 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1CCC=CO1)[C@H]1CCS(=O)(=O)C1 1358957795 ALINTWQFEFNXFZ-OALUTQOASA-N 472.567 2.282 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@H](c1ccccc1)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1358960609 IKBUEBQSVGKHFZ-XZOQPEGZSA-N 495.653 2.388 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@H](C)c1ncc(C)s1)[C@@H]1CCS(=O)(=O)C1 1358965422 VAQRLLLAYUCJSY-QFBILLFUSA-N 470.624 2.459 30 10 JEEE C=C(C)COCCn1c(N2CCO[C@](C)(c3cnn(C)c3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1359137364 NKURAEHMWPBAMG-BJKOFHAPSA-N 474.606 2.397 30 10 JEEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(C(=O)N2CCCCC2)cc1 1359231425 WGANVLWIDQIFMG-KRWDZBQOSA-N 460.604 2.185 30 10 JEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(Cc2ccccc2C)CC1 1359303823 BULSRIHJZNDSGB-UHFFFAOYSA-N 462.602 2.073 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CC(=O)N2CCOCC2)C1 1359326017 RGNLGGWPMPPOLB-OAQYLSRUSA-N 455.559 2.114 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](C)[C@@H](C)C1 1359328659 KSDLHEAZGWEIFA-IYBDPMFKSA-N 452.602 2.042 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 1359333027 MNFWHYOSVCYMSS-SFHVURJKSA-N 453.653 2.456 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 1359333836 LQUUDBMCRHLJOB-IEBWSBKVSA-N 490.630 2.214 30 10 JEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2cccc(S(=O)(=O)C(C)C)c2)c1 1434897146 YRLVBUULJOMXHD-UHFFFAOYSA-N 454.548 2.356 30 10 JEEE COCCn1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@@H](C(F)(F)F)C2)cn1 1504898320 HXVPJBLGOIAXPE-GOSISDBHSA-N 461.448 2.475 30 10 JEEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1507559037 WUURTYVKWUQGQN-YADARESESA-N 487.626 2.383 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1CCN(CC)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1507631369 OWESKBDOVVXZNG-LJQANCHMSA-N 488.614 2.224 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCOCc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1507632171 JNFGMZGZKMZBRW-RBBKRZOGSA-N 488.610 2.372 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CCCn1cc(Br)cn1 1507659070 VCINZTIQTVNTEW-UHFFFAOYSA-N 481.358 2.438 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(CC)CCOCC1 1507710956 XOAQVLDMOOWXGP-UHFFFAOYSA-N 464.570 2.485 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3)n2CCCc2cnn(C)n2)CC1 1507720987 OLVHEWCCMKDOHY-UHFFFAOYSA-N 469.391 2.224 30 10 JEEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCNC(=O)C(C)(C)C)CC1 1507727909 VJJZLLVQVIOEEQ-UHFFFAOYSA-N 452.603 2.391 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2C[C@H]2CCN(CC(F)(F)F)C2)CC1 1507734295 UHABWVOMGMVRFX-INIZCTEOSA-N 454.541 2.426 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H](C)c2nc(C)cs2)CC1 1507735497 BAAGLTKBJHLZHI-XDHUDOTRSA-N 486.642 2.465 30 10 JEEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 1507750562 ZAOVSKDFLQAVQZ-VQTJNVASSA-N 469.659 2.457 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1507802357 ABJJMJZGNQFRBR-UWJYYQICSA-N 494.687 2.475 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@H](c2noc(C)n2)C1 1508077245 XWRZVJQZBLGAEF-KDOFPFPSSA-N 471.493 2.129 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)CCc2ccc(OC)cc2)CC1 1508089069 ILBQJBMCTQHGMM-JOCHJYFZSA-N 496.612 2.112 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C)N2CCC[C@H](C)C2)C1 1508121784 AEGKKHWVDNJRGT-MTQWCTHYSA-N 451.637 2.082 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCc1ccc(Cl)cc1 1508146600 ZPJNRPHOEQHCCK-QGZVFWFLSA-N 487.047 2.113 30 10 JEEE CC[C@H](C)N(C)CCn1c(Cc2cccnc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1513150643 BAEJNEVSNXSLRP-IBGZPJMESA-N 476.633 2.234 30 10 JEEE CCN(CC)CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCCC2)CC1 1515557284 COJPYCOTORBEGG-UHFFFAOYSA-N 465.602 2.112 30 10 JEEE CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCS(=O)(=O)C2)C[C@@H]1C 1515922651 CFPHTAXFPKLZSE-AZUAARDMSA-N 472.615 2.084 30 10 JEEE C=CCN1C(=O)C(=O)N(CC(=O)NCC(C)(C)c2ccc(Br)cc2Cl)C1=O 1526934504 NJXIGIWVYVMERD-UHFFFAOYSA-N 456.724 2.473 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccc(C)cc1)N1CCOCC1 1539016835 VSQSEMBOVZQZBV-NNWRFLSQSA-N 471.627 2.020 30 10 JEEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCC(=O)NCc1ccccc1 1539175877 CSUNEVIUDJGPGN-UHFFFAOYSA-N 458.570 2.228 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCSC1)[C@@H]1CCS(=O)(=O)C1 1539206907 WTTVGPIBKYKVGK-CRAIPNDOSA-N 461.569 2.233 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H]1CCCCN1CCC)[C@@H]1CCS(=O)(=O)C1 1539210229 CDWAJUONDXDHKC-WOJBJXKFSA-N 456.616 2.231 30 10 JEEE C#CCN(CC#CC)c1nnc(Cc2ccc(Cl)cc2)n1C[C@H]1CC(=O)N(CCOC)C1 1539328425 SDNIMDBJQGWRKH-FQEVSTJZSA-N 453.974 2.480 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCc2nccn2C1 1539385026 UOJLBKFHXGIKOF-IEBWSBKVSA-N 485.589 2.126 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCCS1(=O)=O 1539422800 LOQSLEVRBWZAFL-MOPGFXCFSA-N 495.646 2.403 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCCN2CCCO[C@@H](C)C2)CC1 1539441509 RJTAPDRVMWFHLU-NRFANRHFSA-N 482.629 2.218 30 10 JEEE C=C(Br)Cn1c(N2CC(=O)N[C@@H]3CCCC[C@H]32)nnc1[C@@]1(OC(C)C)CCOC1 1539608805 CYTTUXOGEPGXQG-JXXFODFXSA-N 468.396 2.475 30 10 JEEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1539965962 CNDLXDKHNOUHAY-RTWAWAEBSA-N 464.680 2.141 30 10 JEEE C=CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1540005901 PFUWEFYRHCACTR-UHFFFAOYSA-N 488.662 2.279 30 10 JEEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)c(OC)c1OC)C1CC1 1540110052 YMXIZUWMXGUJPD-INIZCTEOSA-N 462.572 2.409 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1540865577 LFQQSFWJEGHGFM-RDJZCZTQSA-N 473.375 2.033 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@]2(O)CCO[C@H]2C)C1 1540882668 MTJUIBJYGVZCNG-XKDCRVNJSA-N 475.977 2.183 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(NC(=O)C(C)C)CC1 1540900475 WWVXGXWKKRZFPN-UHFFFAOYSA-N 489.598 2.016 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 1540905474 WMOVWUDSPLXTSQ-LJQANCHMSA-N 490.630 2.358 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(C(=O)NC3CCCCC3)CC2)s1 1544802382 DDISGDHCEZZQHH-UHFFFAOYSA-N 453.630 2.442 30 10 JEEE CCN1CCC[C@H]1CN1C[C@H](C(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)CC1=O 1546185045 FZKMXSBZDYABTL-IRLDBZIGSA-N 451.571 2.068 30 10 JEEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCN(C(=O)OC(C)(C)C)C1CC1 1546527408 DYGYIHMGDLIXFH-UHFFFAOYSA-N 483.621 2.480 30 10 JEEE CCS(=O)(=O)N(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1548326154 DOTWVPXLASHLEM-NHCUHLMSSA-N 472.615 2.494 30 10 JEEE C#CCCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1587739044 OSNUBVRZPMELIF-UHFFFAOYSA-N 463.542 2.353 30 10 JEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCOC[C@@H]1CCOC1 1587988835 CKNSXHUWQRHMBY-OALUTQOASA-N 463.579 2.099 30 10 JEEE C#CCN(c1nnc(C(C)C)n1Cc1cccc(NC(=O)[C@@H]2CCCO2)c1)[C@@H]1CCS(=O)(=O)C1 1588030641 ZDGULOQIIVOEPH-RTWAWAEBSA-N 485.610 2.194 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(F)cc2Br)n1CCC(=O)N1CCOCC1 1588612925 MSPNUHNWHDYXAU-UHFFFAOYSA-N 494.365 2.182 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccccn2)n1C[C@@H]1C[C@@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1588620312 SZHFFBIBBBODDZ-DYXWJJEUSA-N 482.585 2.451 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CC2(OCC)CCCC2)CC1 1588865414 XAQVHHITHDYHTL-UHFFFAOYSA-N 456.616 2.374 30 10 JEEE C=C(C)COCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)CC(=O)N1CCOCC1 1593695566 GCFPPTZDTXAJNK-UHFFFAOYSA-N 470.574 2.035 30 10 JEEE C=CC[C@H](Cn1c([C@H](C)CC)nnc1N1CCN(C(=O)Cn2cnnn2)CC1)c1ccccc1 1594533698 FJBNQUBMRBZVCF-TZIWHRDSSA-N 463.590 2.487 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc(-c2cnccn2)n1CCC[C@@H]1NC(=O)NC1=O 1595127073 DRFICPURRHHJEK-KRWDZBQOSA-N 450.478 2.055 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCOC1 1595239875 VSZZSBBEYYZRPA-VXKWHMMOSA-N 489.642 2.273 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@H](N2CCCC2)C1 1595506687 JOPCQIGZOYEHEJ-IBGZPJMESA-N 454.575 2.329 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(c2ccc(F)c(OC)c2)CC1 1595561903 GPYVZBMHZFKDCZ-UHFFFAOYSA-N 465.533 2.040 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC(=O)N(C)C[C@H]1C 1595760741 RVIDLHCNNLMKSR-CVEARBPZSA-N 482.006 2.339 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCC2(CCN(C)C2=O)CC1 1595804522 BESSUPIUORJUKP-UHFFFAOYSA-N 475.590 2.058 30 10 JEEE CNS(=O)(=O)[C@@H]1CCN(C(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)C1 1596982198 ICJPDIFSIHIUIM-QGZVFWFLSA-N 458.565 2.053 30 10 JEEE C#CCN1CCCN(C(=O)c2cccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)c2)CC1 1618029828 IPNIFYRIVCXHRC-UHFFFAOYSA-N 455.536 2.040 30 10 JEEE C=CCNS(=O)(=O)c1ccc(C(=O)NCCC2(O)CCN(Cc3ccccc3)CC2)cc1 1633269795 CRHQOYIZLNCFGV-UHFFFAOYSA-N 457.596 2.298 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)NCC(F)(F)CNC(=O)OC(C)(C)C)ccc1F 1639052550 ZJFUWXBHDORQSM-UHFFFAOYSA-N 451.467 2.180 30 10 JEEE C#C[C@H](NC(=O)N1CCN(C(=O)OC(C)(C)C)[C@H]2CS(=O)(=O)C[C@H]21)c1ccc(Cl)cc1 1683508351 QVOHUMJWAWXFOZ-KSZLIROESA-N 467.975 2.442 30 10 JEEE C#CCCCn1c(N2CCN(c3nccnc3C#N)C[C@H]2C)nnc1[C@]1(OC(C)C)CCOC1 1689941139 KSGCHYLQFGSOMT-DVECYGJZSA-N 464.574 2.109 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1Cc1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 1689984269 MIWZRZDUGOMWLY-KRWDZBQOSA-N 474.974 2.016 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1ccc([C@@H](C)O)cc1)[C@H]1CCS(=O)(=O)C1 1689986760 WRVLIIUCPHZRHQ-UTKZUKDTSA-N 451.552 2.068 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1Cc1ccc(C[S@](C)=O)cc1)[C@H]1CCS(=O)(=O)C1 1689992848 PPZZOSUFYCTCJO-WRGVRERRSA-N 462.641 2.030 30 10 JEEE C#CCN(c1nnc(CCOc2ccccc2)n1C[C@@H]1CCO[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1689994480 ZDBHDXHDQMCRTE-NJDAHSKKSA-N 472.611 2.341 30 10 JEEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(N2CCCC2)CCOCC1 1690003626 SJFJEILYNLJVBD-VWLOTQADSA-N 455.603 2.037 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2nccs2)CC1 1690152551 PESPANKRYOXXIA-UHFFFAOYSA-N 461.551 2.199 30 10 JEEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@](O)(c2ccc(F)cc2)C1 1690227517 AVKIUNXLPZVSKS-DNVCBOLYSA-N 450.312 2.375 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C(C)C)C1 1690247098 ZWFPKNVISCJHKD-BQJUDKOJSA-N 481.663 2.465 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1690247551 CAFLPLJHNSIWKA-XMSQKQJNSA-N 474.631 2.105 30 10 JEEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cc2c(cc1OC(F)F)OCO2 1690627570 DSKBQDWOGIJIDL-NSHDSACASA-N 459.475 2.041 30 10 JEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1690644510 PWLYQFOJILUUGZ-SJORKVTESA-N 464.567 2.487 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(NC(=O)CCC)CC1 1690678088 KOQCEVQLFONPMK-WIYYLYMNSA-N 460.623 2.384 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@]2(O)CCN(C)C2)C1 1690700683 WBJXSNIMUCGKCV-WZOHSFFVSA-N 490.649 2.241 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1CCc2cc(F)ccc2C1 1690714601 PRZDLBRXVZMTHF-UHFFFAOYSA-N 463.579 2.499 30 10 JEEE C#CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1CC1(S(C)(=O)=O)CC1 1705544833 FTMNUYWDDPUPPA-UHFFFAOYSA-N 453.362 2.363 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1705562954 NMCBFKGDJQKLSL-ICSRJNTNSA-N 489.642 2.318 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCO[C@H]1C(C)C)[C@H]1CCS(=O)(=O)C1 1705568554 PUOCRIZYDRSGNQ-HFMPRLQTSA-N 497.621 2.417 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1ncn(-c2ccccc2)n1)[C@@H]1CCS(=O)(=O)C1 1705570889 SMXKJBJBBQYKJY-LJQANCHMSA-N 467.599 2.122 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccc(OC)c(OCC)c1)[C@H]1CCS(=O)(=O)C1 1705571846 JPNCRRVMXRBTMT-AZUAARDMSA-N 474.583 2.212 30 10 JEEE C#CCN(CC#CC)c1nnc(Cc2csc(C)n2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1705599941 FIZFONZMQRJCLL-UHFFFAOYSA-N 479.610 2.351 30 10 JEEE C#CCN(CC#CC)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCS(=O)(=O)C1 1705601685 RJUPVVVPNPBHOM-HXUWFJFHSA-N 451.552 2.016 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccccc2F)CC1 1705644804 CGLHQDGZPQSMRR-RUZDIDTESA-N 469.561 2.472 30 10 JEEE C=C1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCc2n[nH]c(C)n2)CC1 1705768780 AIELYXALFZRHEX-QGZVFWFLSA-N 458.567 2.412 30 10 JEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](C(=O)N(C)c2ccccc2)C1 1705811269 BSIPHRCWRKKLAB-ROUUACIJSA-N 460.604 2.344 30 10 JEEE C=CCCOCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1705827291 ZWNPHCAFELKUFR-CVDCTZTESA-N 497.600 2.435 30 10 JEEE C=CCn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1705892228 NWRAPFGBXKVUJZ-FQEVSTJZSA-N 475.615 2.291 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)c2ccsc2)CC1 1705896139 CJORPSLBPGRBRZ-UHFFFAOYSA-N 466.567 2.280 30 10 JEEE CC[C@H](C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cnn(C)c2)CC1 1708621066 DCLKGSSAPINJKG-SFHVURJKSA-N 461.574 2.182 30 10 JEEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCO[C@@H](C)C2)C1 1710350237 GHEBGVGHAGNGIH-HFSMHLIXSA-N 488.614 2.062 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCC(=O)N2)n1CC[S@@](=O)C(C)(C)C 1712442577 BWNBVOYEMHDAEG-AONNBLCTSA-N 472.615 2.301 30 10 JEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C 1722401477 ZJMDRTCBRMRUCX-IBGZPJMESA-N 456.591 2.366 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(OCC)cc3)n2CCN2CCOC[C@H]2C)CC1 1722432186 WFPKSCAYOXJAGM-FGZHOGPDSA-N 482.629 2.293 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCN2CCOCC2(C)C)CC1 1722443475 UAKIQQXPZSEDQQ-UHFFFAOYSA-N 486.020 2.070 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1722500417 MBOFBVWYJYDLDA-JTHBVZDNSA-N 489.642 2.448 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(Cc2ccc(OC)cc2)C(=O)C1 1722550147 FPGUNDJMONBGSJ-SFHVURJKSA-N 458.950 2.229 30 10 JEEE C=C1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H](C)N2CCOCC2)CC1 1722566304 OTYCFHCHINCFFM-PMACEKPBSA-N 476.622 2.464 30 10 JEEE C=CCCOCCn1c(N2CC[C@@H](S(C)(=O)=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1722628138 WZLBUGRMXYWKTH-FGTMMUONSA-N 483.635 2.265 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(c2ccc(F)cn2)CC1 1722694669 DGGCTGPIUIKGCF-UHFFFAOYSA-N 481.532 2.125 30 10 JEEE C=CCSCCn1c(Cc2csc(C)n2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1722742588 YMPPCZUVOJPFAD-INIZCTEOSA-N 461.617 2.026 30 10 JEEE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3ccc(C#N)cc3)n2CCCCN2CCC[C@H]2CO)C1 1722754167 HTIPEYQVFPJSIX-UPVQGACJSA-N 479.629 2.358 30 10 JEEE C[C@@]1(C#N)CCCN(c2nnc(C(=O)Nc3ccccn3)n2CCC(=O)N2CCCCC2)C1 1724004373 GQGIJHRQVQXBOA-QHCPKHFHSA-N 450.547 2.458 30 10 JEEE Cc1ccc(C)c(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)c1 1724274905 GJXWRUXRUFONPM-XMSQKQJNSA-N 476.578 2.197 30 10 JEEE C[C@H]1CCCC[C@H]1OCCn1c(-c2cccc(C#N)c2)nnc1N(C)CCNS(C)(=O)=O 1726531745 HTNLKSUMDJBANN-FXAWDEMLSA-N 460.604 2.397 30 10 JEEE CC[C@H](C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCN1CCN(C)C(C)(C)C1 1727001528 HTSKYOROVDWHCO-FQEVSTJZSA-N 465.650 2.411 30 10 JEEE CC[C@H](C)NC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1727102956 DDJVAIUTRMOPGZ-MHPIHPPYSA-N 482.585 2.418 30 10 JEEE CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@](C)(O)c1ccco1)[C@H]1CCS(=O)(=O)C1 1728297390 HZGRKCQWICKVRT-AVRDEDQJSA-N 455.540 2.331 30 10 JEEE CCN1CCN(C[C@H](C)Cn2c(N3CCN(c4c(C#N)c(C)nn4C)CC3)nnc2C(C)(C)C)CC1 1728631164 AFBZATZWBSPGRS-FQEVSTJZSA-N 496.708 2.089 30 10 JEEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2oc(CC)nc2C)C1 1728682137 HEMYGXXCADNSPC-GOSISDBHSA-N 469.571 2.242 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1740533250 ALJSEYKBKQHJGW-RLWLMLJZSA-N 481.645 2.362 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2CCc2nnc(C)s2)c1 1740564344 KFSSQOOKFPDKAL-QGZVFWFLSA-N 451.556 2.241 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CC(C)(C)CN(C)C)[C@@H]1CCS(=O)(=O)C1 1740624168 DBNLKBYVXOJOHB-QGZVFWFLSA-N 479.597 2.362 30 10 JEEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(C[S@@](C)=O)cc1 1740646631 GPJCZLZKZCKROY-NRUKRWIHSA-N 454.596 2.320 30 10 JEEE C#CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(NC(C)=O)CC1 1740717345 PXKPTSQHNFTZCI-IBGZPJMESA-N 492.646 2.058 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1740754638 UVJGLUPEYZCHJF-LEOXJPRUSA-N 485.585 2.285 30 10 JEEE C=C(Cl)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1740804556 ABDONGCKCXWBLT-CQSZACIVSA-N 454.940 2.371 30 10 JEEE C=CCNC(=O)Cn1c(Cn2ccc3ccccc32)nnc1N1CCC(O)(C(F)(F)F)CC1 1740963589 PISXDMVJMBDAGH-UHFFFAOYSA-N 462.476 2.477 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1740991431 WNIQSNGFEHTMNI-ZWKOTPCHSA-N 467.636 2.252 30 10 JEEE CCS(=O)(=O)CCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCC[C@H](O)C1 1747409886 AEHYMUPSFHMRHA-MOPGFXCFSA-N 461.588 2.151 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CC=CCC2)c1 1748691927 OUXZTCRJWQSLQK-MJGOQNOKSA-N 470.599 2.301 30 10 JEEE C#CCCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1748702698 AXNZXDVXNQDUEM-WMZOPIPTSA-N 453.543 2.489 30 10 JEEE C#CCN(CCOC)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@H]1CCCS(=O)(=O)C1 1748964591 HBAKUGJTGFIWHD-GOSISDBHSA-N 455.584 2.261 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@@H](C)N2CCOCC2)CC1 1748976787 AHEORJWHZCIOAH-WOJBJXKFSA-N 456.566 2.033 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC2CCS(=O)(=O)CC2)CC1 1748978692 RFKBWFODCHEEBA-SFHVURJKSA-N 475.590 2.137 30 10 JEEE COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCCC[C@H]2C)CC1 1749245228 CVKIHUBPDQEOQO-HXUWFJFHSA-N 465.602 2.376 30 10 JEEE C=CC1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@]2(C)CN(C)C2=O)CC1 1749331385 IREVUDOMPGDVFR-QHCPKHFHSA-N 472.615 2.076 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1749368225 FPGJBQBRBWXSNV-KRWDZBQOSA-N 466.652 2.413 30 10 JEEE COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(Cl)cc1F 1749829987 CMHLJKUEBNSISF-HNNXBMFYSA-N 455.943 2.387 30 10 JEEE CC(C)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2([S@@](C)=O)CC2)CC1 1750846051 BIZDEKUZKFVHDH-JGCGQSQUSA-N 456.616 2.418 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H](CC)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1760186779 ARFCLAYJKZDTRB-IAGOWNOFSA-N 476.603 2.203 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1CCN1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1760188576 BXJPXSXTDZRFMC-PZJWPPBQSA-N 473.618 2.367 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 1760232541 ANBROWHATLECOM-PMPSAXMXSA-N 463.526 2.364 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCCN(C(C)=O)C1 1760243821 GOOMAIIJXHZRKJ-MRXNPFEDSA-N 463.380 2.380 30 10 JEEE C#CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1CC1CN(C(=O)OC(C)(C)C)C1 1760250658 KBBPBVVRVIQGBY-UHFFFAOYSA-N 479.585 2.470 30 10 JEEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 1760284039 FYSTXYMBIHITGL-UHFFFAOYSA-N 475.622 2.391 30 10 JEEE C=C(Br)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1760303207 GQCQWUPTLCYCSV-UHFFFAOYSA-N 484.402 2.470 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCN([C@H](C)C(=O)NCCCOC)CC2)nnc1C(C)(C)C 1760326999 AUYDOVKCJXEVBH-HKBOAZHASA-N 476.666 2.220 30 10 JEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccc(N3CCOCC3)c2)CC1 1760396398 COAQVHDULKCADD-GOSISDBHSA-N 474.631 2.176 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1nnc(C)s1 1760483856 FCQIITIXFHDLJY-GFCCVEGCSA-N 453.619 2.351 30 10 JEEE C=CCN(Cc1cccs1)c1nnc(Cn2nc(C)cc2C)n1CC1(O)CCS(=O)(=O)CC1 1760487867 GAUCGBZQVBKLCA-UHFFFAOYSA-N 490.655 2.334 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC(CN(C)Cc2ccccc2)CC1 1760522865 DWZIHXHPIOZSGB-UHFFFAOYSA-N 460.586 2.386 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1760555078 WABJYMGORUIUFU-UHFFFAOYSA-N 465.580 2.414 30 10 JEEE CCCNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1764543633 IABGWFWFKWCMCI-UHFFFAOYSA-N 451.575 2.428 30 10 JEEE CCOc1ccccc1OCc1nnc(N2CCC(C#N)CC2)n1CCN1CCCS1(=O)=O 1767621480 BBRKPLKEYNLUCL-UHFFFAOYSA-N 474.587 2.031 30 10 JEEE COCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1862603236 UYGXWKBIYNUKKY-IBGZPJMESA-N 456.407 2.296 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@@H]2c2ccc(O)c([N+](=O)[O-])c2)cc1F 1862643687 SMQYBZLMNNBAPH-LJQANCHMSA-N 473.413 2.163 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCNC(C)=O)[C@@H]2c2ccc3c(c2)OCCO3)cc1 1862692653 QAAMMSMPAKBEQP-OAQYLSRUSA-N 452.463 2.181 30 10 JEEE O=C(C1=C(O)C(=O)N(CCCN2CCOCC2)[C@H]1c1ccc(O)c(O)c1)c1ccc([N+](=O)[O-])cc1 1862750694 BNHNKXRHTZMVHI-NRFANRHFSA-N 483.477 2.307 30 10 JEEE COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2CCCNC=O)cc1 1862755619 FLKWMEYWRDRMQK-LJQANCHMSA-N 467.434 2.096 30 10 JEEE C=CCn1cc(OCC(=O)Nc2ccc(OC)cc2OC)c(=O)cc1CN(CCOC)CCOC 1870391951 XVMMMFPGEZGVOC-UHFFFAOYSA-N 489.569 2.164 30 10 JEEE C=CCn1cc(OCC(=O)Nc2ccc3c(c2)OCO3)c(=O)cc1CN1C[C@@H](C)O[C@H](C)C1 1870434482 OUJYOZLAUPQETB-IAGOWNOFSA-N 455.511 2.390 30 10 JEEE CCCCCCCCn1cc(OCC(=O)NCCOC)c(=O)cc1CN1CCC(C(N)=O)CC1 1870519893 LSXGISOJIMTJPA-UHFFFAOYSA-N 478.634 2.048 30 10 JEEE C#CCOc1cn(CCCN2CCCC2=O)c(CN2CCN(c3ccccc3F)CC2)cc1=O 1870558977 POIZGCRDUXLHQD-UHFFFAOYSA-N 466.557 2.334 30 10 JEEE CC(C)N1C(=O)CS[C@@H](C(=O)N2[C@H]3CC[C@H]2CC2(C3)CN(C)C(=O)CO2)[C@@H]1c1ccc(C#N)cc1 1889540774 NHICPRWGGHZRKW-NVXDSCFRSA-N 496.633 2.333 30 10 JEEE O=C[C@@H]1CCN(C(=O)c2cc(I)cc(I)c2O)C1 2029143227 IWZXVHDFZHPJIJ-SSDOTTSWSA-N 471.032 2.262 30 10 JEEE Cc1nc(C)c(B2OC(C)(C)C(C)(C)O2)c(N2C[C@H]3OCCN(Cc4ccccc4)[C@@H]3C2)n1 2172782128 NBEAYXJNZBPROI-NHCUHLMSSA-N 450.392 2.482 30 10 JEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CC(=O)N2CC=C(B3OC(C)(C)C(C)(C)O3)CC2)C1 2180989826 AYAMPCDQXRYYTO-QGZVFWFLSA-N 484.424 2.201 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H](C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1)[C@H]1CCOC1 2206623990 STDRLKBRKGAVAP-DOTOQJQBSA-N 461.368 2.497 30 10 JEEE Cc1cc(S(=O)(=O)N[C@@H]2C[C@H]2NC(=O)OC(C)(C)C)sc1B1OC(C)(C)C(C)(C)O1 2247951504 JLSWNXIUGPAVFW-CHWSQXEVSA-N 458.411 2.300 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NCC[C@H]2CN(C(=O)OC(C)(C)C)CCO2)C1 2255184595 ICNRILNNSFCNKQ-BNGSBABLSA-N 451.564 2.435 30 10 JEEE CC1(C)OB(c2ccc(C(=O)NC[C@@H]3CN(C(=O)OCc4ccccc4)CCO3)o2)OC1(C)C 2255708861 OPSALUBBVLDQRS-GOSISDBHSA-N 470.331 2.346 30 10 JEEE C=C(CS(=O)(=O)N=[S@@](C)(=O)CC1CN(C(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2255954671 CDTQNMYDYCSOFY-PMERELPUSA-N 478.442 2.469 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)sc1CN(C)C(=O)[C@H](CO)NC(=O)OC(C)(C)C 2256614703 OWAGXYSWMAXDPO-AWEZNQCLSA-N 454.398 2.200 30 10 JEEE CN(C[C@@H]1CN(C(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)CCO1)C(=O)OC(C)(C)C 2267148771 DKFOCJWRYSDZDJ-CQSZACIVSA-N 467.397 2.150 30 10 JEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2267153236 WHYQYETZMXNYBA-DZGCQCFKSA-N 467.397 2.197 30 10 JEEE Cc1nc(C(=O)N[C@H]2COC[C@@H]2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2267166418 RRECULRDGYHDQN-KBPBESRZSA-N 467.397 2.020 30 10 JEEE CC(C)(C)OC(=O)NC1(CNS(=O)(=O)Cc2ccccc2B2OC(C)(C)C(C)(C)O2)CC1 2267412899 SRYYMPFNPIHLQC-UHFFFAOYSA-N 466.409 2.463 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](CO)[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2267527388 GQQSKNSSRWVKCC-GOEBONIOSA-N 466.409 2.395 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@H]2NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2267712370 DRIDWGKOXFYILL-JLSDUUJJSA-N 464.393 2.272 30 10 JEEE C=C(CS(=O)(=O)NC[C@@]1(F)COCCN(C(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2267723940 BFZFTUMAIUVFJT-FQEVSTJZSA-N 478.392 2.069 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)c1F 2268648927 GBTPFAUMUFMITG-CJNGLKHVSA-N 450.316 2.434 30 10 JEEE CC(C)(C)OC(=O)NCCOCCOCCC(=O)NCCC#CB1OC(C)(C)C(C)(C)O1 2271469168 QOOQJNUTZNTVOU-UHFFFAOYSA-N 454.373 2.076 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@H](NC(=O)c2ccc(F)c(B3OC(C)(C)C(C)(C)O3)c2)C1 2281787175 ZEZDAQSJMRHHAW-MRXNPFEDSA-N 464.343 2.491 30 10 JEEE C[C@H](NC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 2281974788 ZDPWKJICHLJWJE-JKSUJKDBSA-N 462.400 2.485 30 10 JEEE Cc1nn(C)c(C(=O)N2C[C@@H]3CC[C@H](C2)N3C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2281989304 XYYRGTXLPGMOFA-IYBDPMFKSA-N 460.384 2.252 30 10 JEEE Cn1nc(C(=O)NC[C@@H]2[C@H]3C[C@H]3CN2C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2282043312 ITXSFZCELJRCAM-MELADBBJSA-N 480.802 2.358 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)[C@@H](C(=O)O)C1 2282181977 NHOVTCSDXWPFEA-QGZVFWFLSA-N 460.336 2.132 30 10 JEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)N1S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282351353 ZKAZLLPCXPUHJZ-HOTGVXAUSA-N 481.424 2.399 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@]2(NS(=O)(=O)Cc2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2282411040 ZWFMUPBPOZDQFB-HXOBKFHXSA-N 478.420 2.415 30 10 JEEE Cc1nc(C(=O)N2C[C@H]3[C@@H](C2)OCCN3Cc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)s1 2282515624 UMVNAPIOVBQDJM-RBUKOAKNSA-N 469.416 2.476 30 10 JEEE CN(CCN1CCN(C(=O)OC(C)(C)C)CC1)C(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2282516441 GHLNKXKKFGACRL-UHFFFAOYSA-N 480.440 2.067 30 10 JEEE COc1ccc(C(=O)N2CC[C@@](C)(NC(=O)C(F)(F)F)C2)cc1B1OC(C)(C)C(C)(C)O1 2282525713 RTOYBSVRFCVJBM-HXUWFJFHSA-N 456.270 2.278 30 10 JEEE CCc1nn(C)c(C(=O)NC2[C@H]3CN(Cc4ccccc4)C[C@H]23)c1B1OC(C)(C)C(C)(C)O1 2282560700 OVTINTZCVQKBQF-ROUUACIJSA-N 450.392 2.142 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2Cl)C1 2282610639 ZPRYBCXSNMSNGU-HNNXBMFYSA-N 481.786 2.400 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2[C@@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2282668755 JPJXVWZVMXEGPH-MANSERQUSA-N 458.364 2.396 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H]1CCO[C@H](CNC(=O)OC(C)(C)C)C1 2282682358 NWYFMLAEQUHWGU-SJORKVTESA-N 463.384 2.126 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@@H]1C[C@@H](OCc2ccccc2)C1(C)C 2282847629 BKPJYFBXMMRFMH-RTBURBONSA-N 475.420 2.382 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(O)cc2O)CCO1 2282914625 ZXCBVCUHPPZHTF-ZDUSSCGKSA-N 464.324 2.068 30 10 JEEE CC(C)(C)OC(=O)N1CC(C)(C)OC[C@@H]1C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2283947176 XCDFASZVSMXKAL-CQSZACIVSA-N 481.424 2.473 30 10 JEEE C[C@H](c1nscc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)CC1(O)CN(C(=O)OC(C)(C)C)C1 2283951969 CIWWKNYRWRNYMO-CQSZACIVSA-N 481.424 2.334 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CCC(N)=O)C(=O)Nc1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2284052242 DEIATUDTHZZPDW-INIZCTEOSA-N 465.331 2.222 30 10 JEEE C=CCn1c(C(=O)N2CC(O)C2)cc2c(N3CCN(CC=Cc4ccccc4)CC3)ncnc21 2323675737 LQIHCGNRUBRBAA-UHFFFAOYSA-N 458.566 2.269 30 10 JEEE C=CCOc1cn(CCNC(C)=O)c(CN2CCN(CC=Cc3ccccc3)CC2)cc1=O 2325777396 QRRBZQXFGQMRCV-UHFFFAOYSA-N 450.583 2.380 30 10 JEEE C[C@H]1CCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)C[C@@H]1CNC(=O)OC(C)(C)C 2362352863 HCTRKXIQZJCKSC-HOTGVXAUSA-N 462.400 2.342 30 10 JEEE CN(C)CCCN(CCNC(=O)OC(C)(C)C)C(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2362570574 AHEWFGYVIJQEJE-UHFFFAOYSA-N 482.456 2.361 30 10 JEEE CC1(C)OB(c2sncc2C(=O)N2C[C@H](CNC(=O)C(F)(F)F)C3(CCC3)C2)OC1(C)C 2362572054 WFSZDJANOGNXJB-LBPRGKRZSA-N 473.326 2.363 30 10 JEEE Cc1cc(CNC(=O)[C@@H](CN(C)C)NC(=O)OC(C)(C)C)cc(B2OC(C)(C)C(C)(C)O2)c1 2369678665 IEXUJMOELSGTRY-LJQANCHMSA-N 461.412 2.365 30 10 JEEE N#CCCSc1ccccc1NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 609401781 UNDPJKMVRCHQLG-UHFFFAOYSA-N 483.575 2.036 30 10 JEEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)cc1 749125814 DTZXEAYKUNMELF-SFAXUQRRSA-N 496.636 2.353 30 10 JEEE COc1cc(C=NNc2nnc(SCC(=O)Nc3ccc(F)cc3)n2N)cc(OC)c1OC 1084040178 SCSMNJXXOCUMQF-UHFFFAOYSA-N 475.506 2.334 30 10 JEEE COc1ccc(NC(=O)CSc2nnc(NN=Cc3ccc(OC)c(O)c3)n2N)c(C)c1 1084420388 PZBUHFCGWJKCQR-UHFFFAOYSA-N 457.516 2.200 30 10 JEEE C=CC[C@@]1(C(=O)N2CCN(c3ncnc4c3cnn4C)CC2)CCCN1C(=O)OC(C)(C)C 1141327982 GKNIICRKODPIRC-QHCPKHFHSA-N 455.563 2.358 30 10 JEEE C=CCN(C(=O)NC1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1)[C@H](C)COC 1222102002 MEATZPNTVZKXBO-MRXNPFEDSA-N 455.577 2.089 30 10 JEEE C=CCn1c(SCC(=O)NCCN2CCCS2(=O)=O)nnc1-c1ccc(Cl)cc1 1269847624 XFPOXTILHSKYIG-UHFFFAOYSA-N 455.993 2.028 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(C(N)=O)cc1 1286296707 RDRXHGCFWBCWPS-LPHOPBHVSA-N 468.558 2.192 30 10 JEEE C#CCN(c1nnc(-c2ccccc2F)n1CCC(=O)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1286387918 WPJVKFBRZCABQI-GOSISDBHSA-N 473.574 2.114 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1C[C@H](F)COC)[C@@H]1CCS(=O)(=O)C1 1286388622 SKUHKEHIMPPFJN-LSDHHAIUSA-N 458.918 2.349 30 10 JEEE C#CCN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1CC1(O)CCS(=O)(=O)CC1 1286439171 PZEKHJTXYSPWSG-UHFFFAOYSA-N 481.416 2.415 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCNC(=O)C(C)(C)C)CC1 1286485226 XSWSDWUJAHNHET-UHFFFAOYSA-N 452.603 2.391 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1286496836 WMAMDPRYRDHGSQ-UHFFFAOYSA-N 493.568 2.393 30 10 JEEE C=C(Br)Cn1c(N(C)[C@@H](C)CS(C)(=O)=O)nnc1[C@]1(OC(C)C)CCOC1 1286547434 LWZSLLWPNLVXNL-YOEHRIQHSA-N 465.414 2.097 30 10 JEEE C=C(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1286592282 WFNILOIEYVZYFC-UHFFFAOYSA-N 464.574 2.398 30 10 JEEE C=C(C)Cn1c(N2CCN(CC(=O)N3CCCCCC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1286599442 VDACXAWGUSJGHU-VWLOTQADSA-N 474.650 2.419 30 10 JEEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(N2CCCC2=O)c1)C1CC1 1286732264 OQIDSCXFZSXNJB-MRXNPFEDSA-N 458.588 2.218 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCOC[C@@H]1OC 1286741733 JNRGINMFMRSYCE-HKBOAZHASA-N 450.543 2.345 30 10 JEEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(c2ccnn2C)CC1 1286770253 DTGUMKXIEIKMNX-UHFFFAOYSA-N 455.588 2.499 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@H](OC(C)(C)C)C1 1286783107 GXLAOVRWHVXMCQ-IBGZPJMESA-N 465.562 2.007 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC2(NC(=O)OC(C)(C)C)COC2)C1 1286814631 VCCPSRMIVASPNJ-FHWLQOOXSA-N 493.605 2.077 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Br)c2)nnc1N1CCO[C@H](COC)C1 1286815683 YWMQTNDQSBFGCD-KRWDZBQOSA-N 485.404 2.160 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1286816169 GHQZOIBTHYAFGL-FQEVSTJZSA-N 490.649 2.290 30 10 JEEE C=CCS(=O)(=O)CCn1c(N(C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)nnc1C(C)(C)C 1286822507 FGNCLOSXFUNWJG-HNNXBMFYSA-N 469.633 2.021 30 10 JEEE CC(C)C(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCC(=O)N(C)C)CC1 1287121639 AJDCMOBCTGPOOO-UHFFFAOYSA-N 481.601 2.338 30 10 JEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(OC)c(S(=O)(=O)NC2CC2)c1 1293744874 CWRWNHNYYLODSF-INIZCTEOSA-N 451.545 2.381 30 10 JEEE CN(C[C@@H]1CCCOC1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCS(=O)(=O)C1 1298559713 GNAYSBIPXUZZQY-OALUTQOASA-N 459.572 2.026 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2Cc2ccnc(SC)c2)c1 1300332813 OWMSBWQRAPETDX-LJQANCHMSA-N 475.578 2.451 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1CC(C)(C)OCC)[C@@H]1CCS(=O)(=O)C1 1300483663 MLYMZGIRPNFEPA-MRXNPFEDSA-N 498.447 2.488 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@H]1CSCCS1)[C@@H]1CCS(=O)(=O)C1 1300503899 HAUUVOPUFFGSLL-SJORKVTESA-N 496.655 2.472 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 1300892774 VJBJDIVDFQXCGA-WMZHIEFXSA-N 487.626 2.422 30 10 JEEE C=C(C)COCCn1c(-c2ccccc2OC)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1300983190 VMYKTJTUBLQDGR-QGZVFWFLSA-N 466.546 2.078 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@H](C)O[C@H](C)C1 1301500959 RTSBZQNGYLYFPN-KSZLIROESA-N 462.595 2.308 30 10 JEEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N(C)Cc1ccc(C(F)(F)F)cc1 1301510396 WQWONLRSPHVBDO-UHFFFAOYSA-N 450.465 2.358 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(COc3ccccc3F)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1301566583 RATZADQQDGROQJ-MSOLQXFVSA-N 479.578 2.202 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@]2(CCC(=O)N2)C1 1301569592 ZSDXSGVIWQEADQ-YADARESESA-N 487.626 2.495 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccccc2F)C[C@@H]1C 1301579051 LXOSIQRCTZUCNB-KRWDZBQOSA-N 473.578 2.134 30 10 JEEE C[C@H](CN1CCOCC1)Cn1c(-c2cccc(C#N)c2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1303753840 DVSWNPUIFBVDRJ-DENIHFKCSA-N 486.642 2.189 30 10 JEEE Cc1cccc([C@H](C)Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@](F)(C#N)C2)c1 1304154373 FJERSDXWUOACIH-JUXOCIIHSA-N 476.578 2.165 30 10 JEEE C=CCNC(=O)CNC(=O)NCC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 1312851528 SYHFSMLCRZWUDQ-UHFFFAOYSA-N 459.591 2.147 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1nnnn1CC1CC1 1358887794 CAQWVHZNYAZMMU-AEFFLSMTSA-N 469.594 2.295 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2CCCOC(F)(F)F)c1 1358903259 QANJAFHPFCYRLZ-UHFFFAOYSA-N 478.475 2.383 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1[C@@H]1C[C@H]1C)[C@H]1CCS(=O)(=O)C1 1358957239 RNTQKCDEAAZJFF-VHDGCEQUSA-N 452.378 2.254 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 1358958497 PMKVBYQZTVIMPY-QGZVFWFLSA-N 486.550 2.239 30 10 JEEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc2c(c1)OCCCO2 1359026550 BNWCDPJAAMGNCL-UHFFFAOYSA-N 450.543 2.435 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2CC2(NC(=O)OC(C)(C)C)COC2)CC1 1359031856 RTBULLRUOBZDCB-UHFFFAOYSA-N 482.585 2.003 30 10 JEEE C#CCN1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@H]2CCCO2)CC1 1359034689 AJMWXIHOYSYHKF-HXUWFJFHSA-N 458.607 2.327 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1359098024 WOBGZWRIFHRYGE-KNKQGSTJSA-N 455.607 2.291 30 10 JEEE C=CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CC(=O)N(CCOC)C1 1359245282 JFAALFDSRMTBSR-OKZBNKHCSA-N 462.595 2.166 30 10 JEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N(C)Cc1ccccc1N1CCOCC1 1359302564 LRGMXORRIPEDLU-UHFFFAOYSA-N 481.626 2.409 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ncnn2C(C)(C)C)C1 1359324049 BTEWADUYCJTEDH-MRXNPFEDSA-N 470.603 2.446 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@@H](C(N)=O)C1 1359328172 WENPYPAKZMNDOG-HZPDHXFCSA-N 482.006 2.374 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1359328581 IZJLMTAQXJBJFK-WBVHZDCISA-N 498.696 2.356 30 10 JEEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCC(c2ncc3n2CCCC3)CC1 1359335881 XRARKAMHKROXJT-UHFFFAOYSA-N 462.620 2.332 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccccc1CN1CC[C@H](O)C1 1360466552 FTZPTARRRGKRDE-RXVVDRJESA-N 474.569 2.279 30 10 JEEE CCn1nc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H](CC(C)C)N(C)C)c2ccccc2c1=O 1502366365 FUYSOVRGNHWBIS-RBUKOAKNSA-N 478.601 2.380 30 10 JEEE CN(C)S(=O)(=O)c1ccccc1Cn1c(-c2cccnc2)nnc1N1CCC(C#N)CC1 1503405212 HRPAWHSQVJDWKT-UHFFFAOYSA-N 451.556 2.379 30 10 JEEE COc1cc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCN2CCCCCC2=O)cc(OC)c1OC 1504078364 HOUMKLKFXBWRBT-LJQANCHMSA-N 498.584 2.492 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CCNC(=O)c1ccco1)[C@H]1CCS(=O)(=O)C1 1507626586 GKPCJKDHTRXGIZ-SFHVURJKSA-N 487.969 2.248 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1Cc1ccc(NC(C)=O)nc1)[C@@H]1CCS(=O)(=O)C1 1507634652 OPUUHKYYDBWHKI-JOCHJYFZSA-N 492.605 2.206 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1C[C@H](c1cccc(OC)c1)N1CCCC1 1507636902 FOQPXIONTVSOIC-HSZRJFAPSA-N 460.582 2.433 30 10 JEEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1CCCS(=O)(=O)c1ccccc1 1507657675 WGBRGQVBRLXJJW-UHFFFAOYSA-N 450.568 2.077 30 10 JEEE C#CCN1CCN(c2nnc(CCN3CCN(c4ccccc4)CC3)n2CC(C)(C)OCC)CC1 1507727583 JMXQLNABTODDLR-UHFFFAOYSA-N 479.673 2.213 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](C)Oc2ccc(C)cc2)CC1 1507739379 ATMFKWGUOXKWQE-FQEVSTJZSA-N 478.597 2.142 30 10 JEEE C#CCSCCn1c(N2CCN3C(=O)OC[C@@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1507758961 WQWXOOAJYAPLMA-BBWFWOEESA-N 476.603 2.056 30 10 JEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(N2CCOCC2)cc1 1507843513 NKQAYLGMAPZUJI-OAQYLSRUSA-N 454.575 2.295 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1508090643 JSBVBCPDWPUBEV-KRWDZBQOSA-N 498.481 2.115 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N(C)Cc1ccc([S@](C)=O)cc1 1508141824 OXXKQOSGEMPBII-JJCDCTGGSA-N 466.629 2.147 30 10 JEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CC[C@@H](Oc2ccccc2Cl)C1 1508144602 VMMGDSUWEHVNQV-QGZVFWFLSA-N 494.017 2.312 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCN(C(=O)c2ccc(C)cc2)CC1 1508146610 ZVWSSXOUACJUEK-UHFFFAOYSA-N 459.616 2.348 30 10 JEEE C=CCSCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(C)C(=O)[C@H]1C 1508152205 JPXFGGYUNFJFEP-MRXNPFEDSA-N 477.660 2.133 30 10 JEEE C=CCSCCn1c(Cc2ccccn2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1508161928 IOSYTEYCAPFBDN-UHFFFAOYSA-N 469.659 2.318 30 10 JEEE C=CCSCCn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1508165363 SSOZLFSRAVVINP-UHFFFAOYSA-N 477.660 2.127 30 10 JEEE COc1cc(OC)cc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCS(=O)(=O)CC2CC2)c1 1518045009 CYYHKHPYPASOOM-OAQYLSRUSA-N 463.535 2.229 30 10 JEEE COc1cc(OC)cc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CC2CCS(=O)(=O)CC2)c1 1518045164 GPSCOWOHDZEKPZ-OAQYLSRUSA-N 463.535 2.229 30 10 JEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3nccc(C(F)(F)F)n3)CC2)cc1 1525527836 ANEGTZPZNPANDF-UHFFFAOYSA-N 453.446 2.084 30 10 JEEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)CC1 1539444412 NRBFWBMFJRGLBG-QUCCMNQESA-N 468.606 2.079 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Cl)n2CCC2(O)CCOCC2)CC1 1539475456 GTWZAXZRFFQORY-UHFFFAOYSA-N 471.989 2.496 30 10 JEEE C=C(C)Cn1c(Cc2ccccc2C)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1539707926 RHSMAPQVZVCHQY-OAQYLSRUSA-N 459.616 2.384 30 10 JEEE C=C(Cn1c(N2CCC(OCC(N)=O)CC2)nnc1[C@@]1(OCC)CCOC1)c1ccccc1 1539769857 CLQIKVUKHJCXEK-XMMPIXPASA-N 455.559 2.114 30 10 JEEE C=C(Cl)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1539779687 DERQXNFPQNLNOI-UHFFFAOYSA-N 460.922 2.235 30 10 JEEE C=C1CCN(c2nnc(-c3cc(Br)cn3C)n2CC2(C(N)=O)CCOCC2)CC1 1539831515 JKRMATLZDHAXIW-UHFFFAOYSA-N 463.380 2.485 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1539917008 QDBXTWVXYMTRGR-HXUWFJFHSA-N 494.706 2.163 30 10 JEEE C=CCCOCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CC(=O)N(C)[C@@H](C)C1 1540033994 SSCLXZIQWFRFSY-SFHVURJKSA-N 479.585 2.325 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1nc(C(C)(C)C)cs1 1540072723 MUVNYTNIBLREHZ-HNNXBMFYSA-N 468.649 2.230 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCO[C@H](COC)C1 1540875301 HMHQWICREVYIGY-INIZCTEOSA-N 451.980 2.378 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(C)cc2C)C1 1540893013 VFVMUTVDIDGHJX-NHCUHLMSSA-N 475.615 2.057 30 10 JEEE C=CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC(=O)N(C)[C@H](C)C1 1540913200 KBHAENCMOHDWLF-MRXNPFEDSA-N 467.599 2.261 30 10 JEEE CC(C)CCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCn1cc(Cl)cn1 1541513782 FJYZJESOIMBVQR-INIZCTEOSA-N 454.000 2.496 30 10 JEEE CCc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cnn(CCOC)c1 1546316156 CZCKZNIJEUTMAK-FQEVSTJZSA-N 451.531 2.039 30 10 JEEE C=CCOc1ccc(C(=O)N2CCN(CCNC(=O)c3ccc(OC)cc3)CC2)cc1OC 1565655257 IOWSLDYSXFXGRR-UHFFFAOYSA-N 453.539 2.456 30 10 JEEE C#CCN(C)c1nnc(-c2ccc3c(c2)OCO3)n1CCNS(=O)(=O)c1ccc(C)s1 1587958040 MGUQXCPWAVXPDP-UHFFFAOYSA-N 459.553 2.092 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCN1CCCCCC1)[C@H]1CCS(=O)(=O)C1 1588065083 TUUZURDAENXHTD-FQEVSTJZSA-N 476.672 2.137 30 10 JEEE C#CCN(CC#CC)c1nnc(Cc2csc(C)n2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1588241600 SKXXBFYWFPMODE-FPOVZHCZSA-N 480.617 2.443 30 10 JEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCO[C@H](c2ccccc2)C1 1588983660 BHRQFIVSDSKRDG-HKUYNNGSSA-N 463.629 2.223 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1OCC 1589216626 TXBWBAUECRQIRC-NFBKMPQASA-N 473.599 2.050 30 10 JEEE C=C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1594024661 ZCMFFIULBXTUTE-LJSVLAKTSA-N 456.547 2.002 30 10 JEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCN(C)CC(F)(F)F)CC1 1594195104 ZTKQSZTWEQNVFI-CQSZACIVSA-N 452.547 2.175 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(F)(F)C1(OC)CCOCC1 1595219865 YUWMJLLILZRRBQ-MRXNPFEDSA-N 460.547 2.190 30 10 JEEE C=CCOc1ccc(Cn2c([C@H]3CCCOC3)nnc2N2C[C@@H](O)[C@H](CC(=O)OC)C2)cc1 1595614160 ORZWHMPITAFCEX-QKNQBKEWSA-N 456.543 2.145 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCCC(=O)N(C)C)C1 1595721418 FZINFTMIAOJXMZ-HXUWFJFHSA-N 468.606 2.102 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCN(CC2CCOCC2)CC1 1595799068 WURISXPHKUSXMI-UHFFFAOYSA-N 451.637 2.085 30 10 JEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CC[C@@H](c2ccc(OC)cc2)C1 1595822960 KLISJNXGLBURDE-LJQANCHMSA-N 473.599 2.004 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)[C@@H]2CCCN(C(=O)COc3ccccc3)C2)C1 1624812924 AUGCLYIDPVLLLK-WSTZPKSXSA-N 456.543 2.179 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cccn(CC)c1=O 1689853636 WTJCTZCQNIUZPB-IEBWSBKVSA-N 470.574 2.274 30 10 JEEE C#CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1689921149 WHLPQEXMFIWKQW-KRWDZBQOSA-N 462.348 2.081 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccccc2OC)n1C[C@H](N1CCOCC1)C(F)(F)F 1690098298 CWTPQDOXFHQEKY-IBGZPJMESA-N 467.492 2.303 30 10 JEEE C#CCN1CCN(c2nnc(Cc3cn4ccccc4n3)n2CCCN(C)CC(F)(F)F)CC1 1690129110 QBJGGNTWQVKAPY-UHFFFAOYSA-N 474.535 2.156 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](C)CN(C)C(=O)OC(C)(C)C)CC1 1690142318 LMXQWWWBTCYDAD-SFHVURJKSA-N 498.632 2.147 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2Cc2cccc(CS(C)(=O)=O)c2)CC1 1690143986 ILNJQHFIDMLRFA-UHFFFAOYSA-N 483.638 2.494 30 10 JEEE C=C(C)COCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CC(=O)N(C)[C@H](C)C1 1690309490 BKKBQZACLYZZHF-GOSISDBHSA-N 479.585 2.325 30 10 JEEE C=CCCOCCn1c(Cc2csc(C)n2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1690509997 PNHAKCKZFRTSMU-JOCHJYFZSA-N 473.603 2.041 30 10 JEEE C=CCOc1ccccc1Cn1c(N2CCN(C(=O)OC)CC2)nnc1[C@]1(OCC)CCOC1 1690684500 GYMSEZIOZGHLCQ-DEOSSOPVSA-N 471.558 2.432 30 10 JEEE CCS(=O)(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cnn(C)c2C)CC1 1696454273 BLOSZSAUVWMWMS-UHFFFAOYSA-N 453.572 2.311 30 10 JEEE CN(C)CCN1CCC(Cn2c(CCCc3ccccc3)nnc2N2CCO[C@H](C#N)C2)CC1 1696618288 BSPYBCMOBGHBEJ-XMMPIXPASA-N 465.646 2.456 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCCc1ccnc(C(C)(C)C)n1)[C@@H]1CCS(=O)(=O)C1 1705564443 BEKLOOFJPXGSMJ-HXUWFJFHSA-N 496.641 2.026 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H]1CCOC[C@@H]1OC 1705621024 OLEZFKKYILOBHQ-CTNGQTDRSA-N 455.559 2.285 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(CSC)cc2)CC1 1705643321 AXFIBYJZGQYJAS-UHFFFAOYSA-N 480.638 2.391 30 10 JEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 1705652554 DLMGSTXLJQCFLJ-IBGZPJMESA-N 459.538 2.410 30 10 JEEE C#CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1705656383 VTYVPZDSWSIVPL-QGZVFWFLSA-N 489.001 2.446 30 10 JEEE C=C(Br)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(NS(C)(=O)=O)CC1 1705684367 NTQRCFYQCJQTTF-UHFFFAOYSA-N 485.364 2.280 30 10 JEEE C=CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C(=O)OC)C1)c1ccccc1 1705795491 LAYXFSBSOCUNQW-QXAKKESOSA-N 461.588 2.248 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1705905634 BNXKNPMUIYCQIK-IEBWSBKVSA-N 469.590 2.306 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cnccn3)n2CC(F)(F)C2(OC)CCOCC2)C1 1705922453 NFQDOZJIOKPREW-INIZCTEOSA-N 450.490 2.347 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCCC[C@@H](C)C1 1705934581 QCVJFOOFBIDWIU-QGZVFWFLSA-N 470.599 2.419 30 10 JEEE CCN1CCN(CCCn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H](C(=O)OC)C2)CC1 1710298601 GZYIIJXJLNRUSX-QFIPXVFZSA-N 465.602 2.234 30 10 JEEE COCC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1712317848 CGCBPUVPBYKGOZ-URXFXBBRSA-N 465.558 2.015 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](c1cccc(C)c1)N1CCOCC1 1722370153 HUVBFUQVLLRJQK-QHCPKHFHSA-N 483.576 2.380 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@H](OC)[C@@H](C)CC)CC1 1722434247 ODGJYXRVCFRMFI-SIKLNZKXSA-N 488.658 2.012 30 10 JEEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H](CN2CCOCC2)C1 1722494986 UFDPOUADELLUPK-BZSNNMDCSA-N 470.412 2.069 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C(=O)C(C)C)CC1 1722519372 CZVXDLRMBMOUTD-UHFFFAOYSA-N 460.604 2.076 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 1722726435 FHMSOZZLEYGTAJ-ROUUACIJSA-N 483.635 2.124 30 10 JEEE CC(=O)N1CC[C@H](CN(C)c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CC=CCO2)C1 1722760038 MXJDSKJULLDTBO-IFMALSPDSA-N 450.543 2.378 30 10 JEEE C[C@H]1CN(C(C)(C)Cn2c(CN3CCCC3=O)nnc2N(CCC#N)CC2CC2)C[C@@H](C)O1 1726637516 BEOUXXLODOYZCD-KDURUIRLSA-N 457.623 2.418 30 10 JEEE N#Cc1cccc(-c2nnc(N3CC[C@H](C(=O)NCC(F)(F)F)C3)n2CC2(C(N)=O)CCCC2)c1 1731178558 ANESUGWUOIBBCE-KRWDZBQOSA-N 489.502 2.367 30 10 JEEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCN1CCN(c2ccncc2)CC1 1740602971 BGDKPKJWHQDBSS-UHFFFAOYSA-N 493.637 2.025 30 10 JEEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCCO[C@@H]2CCOC2)CC1 1740699611 NBXFRVOQOHMKGI-JOCHJYFZSA-N 453.587 2.425 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1nnc(C)s1 1740937952 UHTJMBITOYKIHY-INIZCTEOSA-N 462.601 2.411 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CCN(c2cnn(C)c2)CC1 1740955219 YWLAHSGUPXFDMS-UHFFFAOYSA-N 491.419 2.131 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(C)[C@@H](C)c1cccc(N2CCOC2=O)c1 1740957623 UYADXAUVWNWPNF-INIZCTEOSA-N 464.530 2.135 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCN(CCN2[C@@H](C)CC[C@H]2C)CC1 1740960881 DZCVXVDKBKWYJR-ZRZAMGCNSA-N 479.673 2.474 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN(CC(=O)N(C)C2CCCCC2)CC1 1740962888 RGTVAUDHAHBXPO-UHFFFAOYSA-N 499.685 2.146 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1740965120 DGNKBAWDVAZGHC-NLWGTHIKSA-N 460.623 2.192 30 10 JEEE C[C@H](c1ccco1)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1741791896 FWIRRMKBTQFGKD-OPAMFIHVSA-N 471.539 2.069 30 10 JEEE CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC[C@@H]2CCCCO2)CC1 1746511234 DJTHDONLWMMXAU-QFIPXVFZSA-N 465.602 2.424 30 10 JEEE C#CCCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1748740167 MUDQPAWINSZSKW-UHFFFAOYSA-N 461.588 2.238 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCc1ccc(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1748817527 LRQBCAUAMNTGKT-WOJBJXKFSA-N 488.610 2.059 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc(Cl)nc3)n2C[C@]2(O)CCSC2)n1 1748970757 QSPFKKWJOXVSOP-JOCHJYFZSA-N 488.017 2.344 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H]2CCCCN2CCCC)CC1 1748979261 WVQYLZXGNGFKTD-RCZVLFRGSA-N 458.651 2.340 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@]2(N(C)C)CCSC2)CC1 1748992951 LALDPSGCTDGMDR-DEOSSOPVSA-N 454.644 2.070 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@]2(C)CN(C)C2=O)CC1 1749003255 DBHDFSIORJSUCJ-QHCPKHFHSA-N 499.413 2.152 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H](C)CN2CCCCC2)CC1 1749008729 ALMKAWPUCTZEQO-IRLDBZIGSA-N 456.635 2.260 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H](c2ccco2)N(C)C)CC1 1749010768 XBQDDWAXZSYDGP-FPOVZHCZSA-N 454.575 2.381 30 10 JEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccc(C)cc2)CC1 1749427349 PWTCMTAKTCCOAD-OAQYLSRUSA-N 474.631 2.212 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCCCO2)n1CC(=O)N1CCOCC1 1749531631 JZVXESGKHOLAEB-NRFANRHFSA-N 450.543 2.443 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1749731367 CEYJUHOTVLFNTA-CVEARBPZSA-N 466.526 2.321 30 10 JEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCC(=O)NC1CCCCC1 1760173222 OAKBSPLFRXAOAG-UHFFFAOYSA-N 472.615 2.104 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1CCCN(C)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1760184858 ZPKSFEXQAJWYDT-QGZVFWFLSA-N 467.636 2.459 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1Cc1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1760186350 MJVSPAJXSRBTGG-MRXNPFEDSA-N 475.521 2.427 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1cccnc1OCC(F)F 1760201703 ITILCXWVEJWHMU-UHFFFAOYSA-N 489.486 2.352 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(CCOC)C(=O)C1 1760324902 MUYVJXIKGYSAQU-WMZHIEFXSA-N 457.550 2.284 30 10 JEEE C=C(C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CC(=O)N1CCOCC1 1760345715 PMJBOYDUAQRODW-GOSISDBHSA-N 462.595 2.264 30 10 JEEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1760359401 MNJVBDOUXGQRMK-QGZVFWFLSA-N 452.481 2.361 30 10 JEEE C=C(Cl)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1760371251 TWRKADPEEYRTCV-AEFFLSMTSA-N 485.980 2.041 30 10 JEEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1cccc(N2CCOCC2)n1 1760457222 KAWMCDNKEAQHFX-UHFFFAOYSA-N 497.625 2.098 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H](COC)C1 1760550525 AITRILKQUBUEIE-CYBMUJFWSA-N 458.382 2.109 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 1760552235 HLOUQVOJHLIKIZ-UHFFFAOYSA-N 471.543 2.109 30 10 JEEE CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1766693499 AQIPZRDFLKUPEE-UHFFFAOYSA-N 495.609 2.194 30 10 JEEE O=C(ON1C(=O)c2ccccc2C1=O)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCCO2)c1 1772791204 PAYNVGASEZNMAS-ZDUSSCGKSA-N 464.883 2.165 30 10 JEEE CN1CCN(NC(=O)Nc2ncccc2OCC(=O)Nc2sc3c(c2C#N)CCCC3)CC1 1858793515 GQEVNHSTXNDWHU-UHFFFAOYSA-N 469.571 2.195 30 10 JEEE C=CCn1cc(OCC(=O)NCc2ccccc2OC)c(=O)cc1CN1CCC2(CC1)OCCO2 1870640815 AYWGJCGOXWKNGW-UHFFFAOYSA-N 483.565 2.077 30 10 JEEE C=CCN(CC=C)c1nc(=NCc2ccc(OC)cc2)[nH]c(=Nc2ccc3c(c2)C(=O)N(C)C3=O)[nH]1 1871632092 CMAKHAMHPWKYPR-UHFFFAOYSA-N 485.548 2.484 30 10 JEEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)N1CCN(c3ncccn3)CC1)n2CCOC 1873557991 DWSRLIQSRCVMMX-UHFFFAOYSA-N 462.558 2.009 30 10 JEEE COc1ccc2c(CC(=O)N3CCC(OCC#CCN4CCN(C(C)C)CC4)CC3)cc(=O)oc2c1 1891643612 MMSKCRJSEZIGSA-UHFFFAOYSA-N 495.620 2.381 30 10 JEEE N#Cc1ncccc1OC1CN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc(C(F)(F)F)c2)C1 1891957605 PZPMHHZUPWPNRC-SFHVURJKSA-N 480.468 2.415 30 10 JEEE N#CCCNC(=O)C[S@](=O)CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 2019049268 SAXRPPIZILRPOM-ZCWHBTPQSA-N 483.546 2.147 30 10 JEEE CC(C)(C)OC(=O)N1CC(OCC(=O)NCCc2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2180981617 VUWDUPIWNJUGGX-UHFFFAOYSA-N 460.380 2.280 30 10 JEEE CC1(C)OB(c2cncnc2C(=O)N2CCC(NC(=O)OCc3ccccc3)CC2)OC1(C)C 2255696164 PXAAJTRWIIMBFJ-UHFFFAOYSA-N 466.347 2.307 30 10 JEEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)[C@H]2C[C@@H]21 2255752599 KOLXWDYMUIYZCC-GJZGRUSLSA-N 470.422 2.430 30 10 JEEE C[C@H](CNC(=O)OC(C)(C)C)NS(=O)(=O)Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2255793852 CZZKVEGJSIWSHT-OAHLLOKOSA-N 454.398 2.318 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CC[C@@H]2NC(=O)OCc2ccccc2)n1 2255830162 AZSKKSFQJZTOGI-OALUTQOASA-N 468.363 2.389 30 10 JEEE CN(C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CC[C@H]1NC(=O)OCc1ccccc1 2255879961 XRBLSHAUXBKVDF-RTBURBONSA-N 466.347 2.305 30 10 JEEE C=C(CS(=O)(=O)Nc1c(CNC(=O)OC(C)(C)C)cnn1C)B1OC(C)(C)C(C)(C)O1 2255955344 MNLJDFZIOUDBPB-UHFFFAOYSA-N 456.374 2.374 30 10 JEEE C[C@H](NC(=O)[C@@H](CO)CNC(=O)OC(C)(C)C)c1cscc1B1OC(C)(C)C(C)(C)O1 2256677176 BBYAIKAMVFPVDB-UONOGXRCSA-N 454.398 2.358 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1NC(=O)c1cccc(F)c1B1OC(C)(C)C(C)(C)O1 2266982376 QIHDANTXASEQLQ-JKSUJKDBSA-N 450.316 2.147 30 10 JEEE CCCN(CCNC(=O)c1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C)C(=O)OC(C)(C)C 2266989477 FFMZUWFVUGCQCL-UHFFFAOYSA-N 450.389 2.405 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](NC(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)CCO1 2266994055 PRHQWUHDHNQXLZ-UONOGXRCSA-N 467.397 2.244 30 10 JEEE CC(C)(C)OC(=O)NCC1(NC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)CCOCC1 2267480383 ZATNXDATGXKIBP-UHFFFAOYSA-N 467.397 2.246 30 10 JEEE Cc1sc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H](O)C2)cc1B1OC(C)(C)C(C)(C)O1 2267549543 MZBIRHVWXYAETD-HNNXBMFYSA-N 466.409 2.410 30 10 JEEE COc1cc(CNC(=O)CON(C)C(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2273863617 YEFVWWOUNNJQOZ-UHFFFAOYSA-N 450.341 2.409 30 10 JEEE CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1F 2281787059 YQQAGJYLGVRACP-ROUUACIJSA-N 464.343 2.489 30 10 JEEE CC1(C[S@@](C)(=O)=NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2281924296 QBDUQICQVIMMKO-MGBGTMOVSA-N 482.412 2.204 30 10 JEEE Cn1nc(C(=O)N2CC[C@H]3CCN(C(=O)OC(C)(C)C)[C@@H]3C2)cc1B1OC(C)(C)C(C)(C)O1 2281960735 DQJNBPPVCCTUGG-DOTOQJQBSA-N 460.384 2.191 30 10 JEEE CCn1cc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C23CC3)nc1B1OC(C)(C)C(C)(C)O1 2282038147 DVVZQETUSSRDJJ-INIZCTEOSA-N 460.384 2.474 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(=O)O)N(C(=O)c2occc2B2OC(C)(C)C(C)(C)O2)C1 2282048090 HKIWJRQNBKRPLM-ZFWWWQNUSA-N 464.324 2.161 30 10 JEEE CC1(C)OB(c2cccnc2C(=O)NCC2(O)CCN(Cc3ccccc3)CC2)OC1(C)C 2282189823 MQFDQPBRXZGTDH-UHFFFAOYSA-N 451.376 2.138 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2[C@H](NS(=O)(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)cc3F)[C@H]2C1 2282319609 WKULURBBHVXSBS-HWWDLCQESA-N 482.383 2.269 30 10 JEEE CC[C@H]1[C@@H](NS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CCN1C(=O)OC(C)(C)C 2282347946 FMCVPPHEJXWMAS-ROUUACIJSA-N 481.424 2.447 30 10 JEEE CC1(C)OB(c2cscc2S(=O)(=O)NC2(CN)CCN(Cc3ccccc3)CC2)OC1(C)C 2282489000 FCPXSTUDRKQWPM-UHFFFAOYSA-N 491.488 2.319 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2282534877 XVFVULOXOLOIHP-WBVHZDCISA-N 460.384 2.191 30 10 JEEE Cc1ccc(C(=O)NC2(C(=O)O)CN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2282687578 HZYDCXWHFIPNJR-UHFFFAOYSA-N 460.336 2.098 30 10 JEEE CC(C)(C)OC(=O)NC1[C@@H]2CN(S(=O)(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)cc3F)C[C@@H]12 2282836272 HUNDYLQMOUTCPQ-HUUCEWRRSA-N 482.383 2.269 30 10 JEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCCN(Cc2ccccc2)CCC1 2282850894 UVXHKLGZWBIJQT-UHFFFAOYSA-N 474.436 2.006 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1COC[C@H]1C(=O)N1CCc2sc(B3OC(C)(C)C(C)(C)O3)cc2C1 2284040705 NPLIVCFTRUJDPW-CVEARBPZSA-N 478.420 2.472 30 10 JEEE Cn1nc(C(=O)N[C@@H](COCc2ccccc2)CC(=O)O)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2284464113 FWRJHNBHFYCJEZ-OAHLLOKOSA-N 477.754 2.163 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@]1(C)CCN(C(=O)OCc2ccccc2)C1 2315601573 GFJFOQRNYHIJKZ-DEOSSOPVSA-N 468.363 2.250 30 10 JEEE CCCCCOc1ccc(C=Nn2c(CNC(C)=O)nnc2SCC(N)=O)cc1OCC 2330743745 JMDFSYCVJRXGPM-UHFFFAOYSA-N 462.576 2.342 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](C(=O)N1CC[C@](C)(B2OC(C)(C)C(C)(C)O2)C1)C1CS(=O)(=O)C1 2342473921 UIJWNYHRKNBFET-VFNWGFHPSA-N 472.413 2.009 30 10 JEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@](C(=O)O)(N2CCN(Cc3ccccc3)[C@H](C#N)C2)C1 2346931367 PPJTXQYARNHEBM-NMMYMHLASA-N 458.559 2.176 30 10 JEEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@H]2CNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2359280044 WFKXYEADONMYTF-UXLLHSPISA-N 458.368 2.294 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(C)C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)n1C 2362490344 RBSZTQDWAXHGFY-INIZCTEOSA-N 462.400 2.357 30 10 JEEE COc1[nH]c(=NC[C@H]2C[C@H](OC)CN2C(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2365349114 ZRGYCHFWTUHJHR-CVEARBPZSA-N 463.384 2.248 30 10 JEEE CCNC(=S)/N=C(/Nc1nc(C)cc(C)n1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 14160989 KTZZWCCJXUFMPZ-UHFFFAOYSA-N 455.588 2.302 30 10 JEEE CCOc1ccc(/C=N/Nc2nnc(SCC(=O)Nc3cccc([N+](=O)[O-])c3)n2N)cc1 20528011 LLRNWKKVZOIGBF-SRZZPIQSSA-N 456.488 2.476 30 10 JEEE C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CCCCN1c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 204870497 CPSRLOMYQNJJOU-SJLPKXTDSA-N 489.426 2.164 30 10 JEEE C#CCn1c(=NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)sc2cccc(C)c21 254487195 TYDBQUGEGDVEQN-UHFFFAOYSA-N 455.561 2.406 30 10 JEEE C=CCNC(=O)[C@@H]1[C@H](c2cc(OC)c(OC)c(OC)c2)c2cc3c(cc2[C@H](O)[C@H]1CO)OCO3 257183176 HGWHLMRQXRMPIR-YYLLSARXSA-N 471.506 2.147 30 10 JEEE N#Cc1ccccc1S(=O)(=O)N1CCN([C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)CC1 610548811 NVVKTLZVOBBJOK-GOSISDBHSA-N 492.479 2.215 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)cc2C1=O 757719385 CRMZOCZWEBQIDE-UHFFFAOYSA-N 482.514 2.293 30 10 JEEE Nn1c(NN=Cc2ccc(O)cc2O)nnc1SCC(=O)Nc1ccccc1Br 1084597153 OURIFTZFRRNKBX-UHFFFAOYSA-N 478.332 2.342 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@H]1CCCCS1(=O)=O 1286287692 CGXRSUGZNUAVBY-QZTJIDSGSA-N 482.610 2.490 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCCO3)n2C[C@@H]2CC(=O)N(CCOC)C2)c1 1286310933 HYXNWTDXKWGGRH-IRLDBZIGSA-N 494.596 2.071 30 10 JEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CC(C)(C)N1CCC(OC)CC1 1286414650 BQWSDGUJCOSAJF-UHFFFAOYSA-N 468.627 2.232 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2Cc2ccc(OC)cc2OC)CC1 1286490201 NUOPEPCTCMBZOF-UHFFFAOYSA-N 462.554 2.315 30 10 JEEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(CCSC2)C1 1286534621 BQNBTMFSQGSDGN-SWLSCSKDSA-N 450.428 2.130 30 10 JEEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](CN2CCCCC2)C1 1286540791 DNSAZHYOCCVQKQ-IRXDYDNUSA-N 472.453 2.401 30 10 JEEE C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1286588994 PNMNGAFMJXPLCJ-UHFFFAOYSA-N 496.612 2.479 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@@H](C)OC(C)(C)C1 1286779354 HIDJBCANZJQGEX-OAHLLOKOSA-N 459.547 2.277 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1286823804 YOHNNSUTARWXKH-OALUTQOASA-N 471.631 2.036 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCCS(=O)(=O)C1 1286959887 BMEBJOZOLGEPQI-QWHCGFSZSA-N 455.382 2.456 30 10 JEEE CC[C@@H]1CCCCN1CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1293362658 FWSVATNFOHXORM-PKTZIBPZSA-N 465.602 2.423 30 10 JEEE CCN1CCN([C@@H](C)Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCO[C@H](C#N)C2)CC1 1296123567 BHPSKVVOXIBLAP-FUHWJXTLSA-N 461.973 2.492 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCCOCC)[C@@H]1CCS(=O)(=O)C1 1300479112 IPNMFEJKKGPYSF-HXUWFJFHSA-N 473.599 2.201 30 10 JEEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 1300482254 DXXCGEBFQBGFHG-QGZVFWFLSA-N 490.632 2.085 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H](C)N(C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1300488163 PDGRDHUEJSIQKM-IRLDBZIGSA-N 480.638 2.431 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H](C2CC2)N(C)C)CC1 1300712381 QPCYDGLVZPTTLI-QHCPKHFHSA-N 491.640 2.453 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cccc(C(C)(C)O)c2)CC1 1301086747 OOZVDFUOXADPFX-HXUWFJFHSA-N 475.615 2.043 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1c1ccc(C)cc1 1301569083 PFKKJCQCAGZXTG-PKOBYXMFSA-N 481.644 2.139 30 10 JEEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1301595289 RVDBUJBHIKTQEN-UHFFFAOYSA-N 460.579 2.437 30 10 JEEE CC(=O)N1CC[C@H](CN(C)c2nnc(COc3ccc(C#N)cc3)n2CCCc2cnn(C)c2)C1 1301659450 DKHXXTNZJNBBQZ-JOCHJYFZSA-N 476.585 2.400 30 10 JEEE CC(C)CN1CCO[C@H](Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC(C#N)CC2)C1 1303200890 GWVNMPLODPIQFG-IBGZPJMESA-N 452.563 2.022 30 10 JEEE C[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1)c1nccs1 1303693376 GCDUWVWPIQYDDA-HNNXBMFYSA-N 457.585 2.159 30 10 JEEE CC(F)(F)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1303782013 IBKUBNUSKKSOHC-LJQANCHMSA-N 494.568 2.493 30 10 JEEE C=CCC[C@H](NC(=O)N1CCN(C(=O)Cn2cnnn2)CC1)c1ccc(C(F)(F)F)cc1 1312344403 YFAGWOLHQLYXGJ-KRWDZBQOSA-N 451.453 2.253 30 10 JEEE COCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1316067850 CULIFHFPNJOWLX-QFIPXVFZSA-N 475.601 2.290 30 10 JEEE N#Cc1cccc(-c2nnc(N3CCC[C@H](N4CCCC4=O)C3)n2CC(=O)NCC(F)(F)F)c1 1316528328 COYQNMQLCJCJFZ-KRWDZBQOSA-N 475.475 2.086 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccc(F)cn1)[C@@H]1CCS(=O)(=O)C1 1358956889 LZYOIZSOEMQOCP-MRXNPFEDSA-N 493.362 2.245 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1cccc(C(F)(F)F)n1)[C@H]1CCS(=O)(=O)C1 1358965559 XHCZOHYCWKEALJ-SFHVURJKSA-N 490.511 2.353 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CCN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1358967960 WKONXRMAWHJAKK-NRFANRHFSA-N 471.627 2.278 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](OCc2cccc(OC)c2)C1 1359057232 VRYJUYZTTDJFPY-CTNGQTDRSA-N 490.651 2.351 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNc1nccc(C(F)(F)F)n1 1359069930 BTBVZESQLXBLLX-AUUYWEPGSA-N 483.520 2.093 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2ccc(Cl)cc2)C1 1359121820 KKQMQQXFNOCUAX-MOPGFXCFSA-N 482.006 2.418 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1359157674 QQMWWBPCGDOBGA-HUUCEWRRSA-N 450.971 2.470 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nccs1 1359261083 VXDWRIBXQKWSFT-SFHVURJKSA-N 492.602 2.448 30 10 JEEE C#CCN1CCCN(C(=O)c2nnn([C@@H]3CCN(C(=O)OC(C)(C)C)C3)c2C(F)F)CC1 1465280104 JVARJJUCRXMSIH-OAHLLOKOSA-N 452.506 2.179 30 10 JEEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccccc1CN1CCOCC1 1507603776 DBJBDKSFCDRRGQ-VWLOTQADSA-N 453.587 2.269 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2cccc(C)c2C)n1CC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1507621818 CXEDCYUCSOSMQR-PMACEKPBSA-N 487.626 2.186 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1cc(F)ccc1N1CCOCC1 1507659081 VPDDQGPTJLANJQ-UHFFFAOYSA-N 487.539 2.412 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccc(F)cc1)N(C)C 1507668593 ADODMLQQZVXOSK-CTNGQTDRSA-N 457.575 2.085 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2CCC(C(F)(F)F)CC2)CC1 1507721217 HXIDEJVQKULMLE-KLAILNCOSA-N 476.569 2.012 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCN(C)Cc2ccc(F)cc2)CC1 1507739044 LJMUCXYBPVXNKM-OAQYLSRUSA-N 468.577 2.019 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC2(S(C)(=O)=O)CC2)CC1 1507743115 ZSBSTPANDUFYOM-UHFFFAOYSA-N 490.029 2.065 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1ccc(F)cc1)N(C)C 1507821064 SVDVIXSBJPODSX-NHCUHLMSSA-N 494.637 2.455 30 10 JEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC2CCCCC2)CC1 1507967958 PHMFXRKHPVUFOX-NRFANRHFSA-N 465.664 2.475 30 10 JEEE C=CCN(CCOC)c1nnc(-c2cccc3cccnc23)n1CC1(O)CCS(=O)(=O)CC1 1508037784 KBVOEJKISRJJKV-UHFFFAOYSA-N 471.583 2.072 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1508073330 JVBAXQDEOFEEQI-IQGLISFBSA-N 485.585 2.427 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(OCCN2CCCC2)CC1 1508074041 NQLFPAVLGQYGHM-UHFFFAOYSA-N 474.009 2.377 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1508132004 TVXGLBMJPUWKPY-SJLPKXTDSA-N 494.017 2.483 30 10 JEEE C=CCSCCn1c(N2CCN(c3ccc(C#N)cn3)CC2)nnc1[C@]1(OCC)CCOC1 1508168777 UFZGTNFNHNQNLH-QHCPKHFHSA-N 469.615 2.443 30 10 JEEE CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCC(F)(F)F)CCO1 1517543489 GEAPGHZRBAIBIL-MRXNPFEDSA-N 452.437 2.022 30 10 JEEE C=C(C)Cn1c(SCC(=O)NC[C@@H]2CCC[C@@]23NC(=O)N(C)C3=O)nnc1-c1ccco1 1524726185 YECVNISTCNARBL-LHSJRXKWSA-N 458.544 2.043 30 10 JEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CN2C[C@H](C)O[C@H](C)C2)CC1 1539052011 AXYFTAPFHJMUPA-ZCNNSNEGSA-N 480.679 2.017 30 10 JEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)c2ccccc2)CC1 1539072038 JWDWKCMUTJZTSN-HXUWFJFHSA-N 469.611 2.383 30 10 JEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1539102259 VIXRIXSHRBKGAD-SFHVURJKSA-N 490.593 2.139 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1CCN(CC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1539210851 HADKCEYMCUJODZ-HXUWFJFHSA-N 487.626 2.073 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccc(C)cc2O[C@H]2CCOC2)CC1 1539427732 IJKONCGJVMIVAI-QHCPKHFHSA-N 494.640 2.476 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H](C2CC2)N(C)C)CC1 1539470396 NVJOVNYWUZARRK-IBGZPJMESA-N 488.434 2.342 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](N(C)Cc2ccccc2)C1 1539518298 XHLJIUNSPGDYOT-RTWAWAEBSA-N 473.668 2.257 30 10 JEEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2cn3ccccc3n2)CC1 1539573942 GEPNAVKPQZPYGP-UHFFFAOYSA-N 487.406 2.295 30 10 JEEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1539899901 ASXOEFONYQMVBV-UHFFFAOYSA-N 480.617 2.272 30 10 JEEE C=CCCOCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCS(=O)CC1 1540020974 YCFJMRCCJNJSAY-UHFFFAOYSA-N 451.980 2.023 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)c1nc(C)cs1 1540170820 REDQFRSUFAKOFY-NVXWUHKLSA-N 466.633 2.358 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@@H](COC)C1 1540864510 BVGTXZHHYVLEOY-CQSZACIVSA-N 464.364 2.491 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1540872071 BKIFUNMWCLHVRW-GJZGRUSLSA-N 453.996 2.082 30 10 JEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1 1540874372 DQKFZVJTSFGVCA-SFHVURJKSA-N 467.578 2.332 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(Cc2csc(CC)n2)CC1 1540902841 RUQZZZRHIIOWCX-IBGZPJMESA-N 494.687 2.462 30 10 JEEE CCN(CCC#N)S(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCc1ccc(F)cc1 1561137085 ARHWKILJTGQVKC-QFIPXVFZSA-N 458.559 2.392 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCCCS(C)(=O)=O 1587638312 CVEABYJBEZOAKM-ROUUACIJSA-N 483.635 2.259 30 10 JEEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCCSC)[C@H]1CCS(=O)(=O)C1 1588034523 HTFVPHBKMPELHO-SFHVURJKSA-N 496.680 2.119 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCCN1CCC)[C@@H]1CCS(=O)(=O)C1 1588065130 UZUAESBGNRCWGV-VQTJNVASSA-N 476.672 2.135 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCC(=O)N1 1588561023 YXWUEDGAVXOZBJ-GOSISDBHSA-N 466.542 2.327 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(F)ccc2Br)n1CC(=O)NCC(F)F 1588595535 VZDQJSBAKGOOFF-UHFFFAOYSA-N 474.281 2.314 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCCCc2nc(C)cs2)CC1 1588752736 UJZCOUVGQJELJB-HSZRJFAPSA-N 458.632 2.473 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2CC2(N(C)C)CCCCC2)CC1 1588884653 IOEIRTVIPSPVDL-UHFFFAOYSA-N 485.677 2.427 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CSc3ccccc3OC)n2CCc2n[nH]c(C)n2)CC1 1588968312 HXCDBWUKUHYAIS-UHFFFAOYSA-N 494.625 2.214 30 10 JEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1csc(CC)n1)C1CC1 1595058137 BOKRCSBNHYLRQN-QGZVFWFLSA-N 466.633 2.027 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCc2cc(OC)c(OC)c(OC)c2CC1 1595545224 RYLPNCRVXGCQEK-SFHVURJKSA-N 485.585 2.105 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1595551543 RPQQHJGBMLOMRP-LPHOPBHVSA-N 484.557 2.196 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1595593333 AOWCVIAFFIIUKE-MRXNPFEDSA-N 482.507 2.241 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc3ccccc3o2)nnc1N1CCC(CC(N)=O)CC1 1595766322 OOYOGMWSYGBBFN-UHFFFAOYSA-N 457.556 2.384 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCC[C@@H]2[C@@H]2CCCO2)nnc1[C@@]1(OC(C)C)CCOC1 1595831202 NLRUNSPCKXDLTE-XQBPLPMBSA-N 468.620 2.067 30 10 JEEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 1595831476 QUAMIFOVARCMCK-KRWDZBQOSA-N 471.624 2.251 30 10 JEEE CCN(CC)C(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCOC[C@@H]2C)CC1 1615328605 HCEBKXUPEKSIFF-NZQKXSOJSA-N 479.629 2.480 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCCO3)n2CC2(O)CCOCC2)c1 1689871983 KOXORGQRIAIRHQ-HXUWFJFHSA-N 453.543 2.117 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(F)cc2Br)n1CCC(=O)N1CCOCC1 1690008984 SSRJOAKELJOFMO-UHFFFAOYSA-N 474.334 2.168 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H](C)CN1CCCC1 1690036763 AICBZWMZFOQNSC-OAQYLSRUSA-N 482.654 2.390 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1Cc1cccc(CN2CCO[C@@H](C)C2)c1 1690101275 VKEDWGDUQXITFV-FQEVSTJZSA-N 461.570 2.090 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2CC2([S@](C)=O)CCC2)CC1 1690148346 DGJYOKHWYRVEEX-XIFFEERXSA-N 471.602 2.275 30 10 JEEE C#CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@H](NC(=O)CC)C1 1690172768 NVZKIKJHWIFMMF-FQEVSTJZSA-N 482.658 2.314 30 10 JEEE C=CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1690626085 ULQJEGHFEXWEHD-UHFFFAOYSA-N 451.575 2.078 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N(C)C[C@H]1CCCO[C@@H]1c1ccccc1 1690655362 QKVLZJLILQGABB-TZIWHRDSSA-N 454.575 2.323 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCN(Cc2cc(C)no2)CC1 1690719699 QTTOSXTXEWUSSS-UHFFFAOYSA-N 460.560 2.066 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCn2nc(C)nc2C1 1690719726 RTHAOFHUZPTTCY-UHFFFAOYSA-N 477.978 2.128 30 10 JEEE CC(C)(C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1691033910 AQGFYLCRIFRQDO-FQEVSTJZSA-N 465.602 2.138 30 10 JEEE CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(c2ncccc2F)CC1 1697007058 ARFCSQUZVTVXLI-UHFFFAOYSA-N 478.532 2.116 30 10 JEEE C#CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1705516477 CGXDGQANXBDLQU-KOSHJBKYSA-N 472.590 2.249 30 10 JEEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1705543750 REMNGSZLOCXIBN-UHFFFAOYSA-N 455.522 2.500 30 10 JEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(C)(C)N1CCC(OC)CC1 1705545022 MIHMXPOITOCDCL-UHFFFAOYSA-N 488.658 2.154 30 10 JEEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1[C@@H]1C[C@H]1C(C)C)[C@H]1CCS(=O)(=O)C1 1705568376 MOJNWOHOMIFTJQ-YESZJQIVSA-N 461.613 2.113 30 10 JEEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1C[C@@H](C)OC)[C@H]1CCS(=O)(=O)C1 1705568764 UVSODUZTWZIYMO-WBVHZDCISA-N 452.964 2.172 30 10 JEEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1Cc1cccc(C2OCCO2)c1 1705630507 VKYQKCWVTCUMEU-UHFFFAOYSA-N 450.543 2.319 30 10 JEEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2Cc2ccc(OC)nc2OC)CC1 1705640545 VZUKRRFPROXRNO-UHFFFAOYSA-N 468.508 2.363 30 10 JEEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(N2CCNC2=O)CC1 1705654545 MBAHNBPZQJKREI-UHFFFAOYSA-N 455.544 2.214 30 10 JEEE C#CCSCCn1c(COc2ccc(C)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1705666005 KPQJHDKAHGMANR-IBGZPJMESA-N 468.583 2.005 30 10 JEEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@@H](C)c2nc(C(C)C)no2)CC1 1705725865 VWVSKLRLVCQKCV-DLBZAZTESA-N 463.608 2.146 30 10 JEEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N1CCN(C(=O)N(CC)CC)CC1 1705735655 CJSXRWIJEHBRHQ-UHFFFAOYSA-N 473.578 2.182 30 10 JEEE C=C1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCS(=O)(=O)NC(C)C)CC1 1705769219 MNKFEQOQSYRROZ-GOSISDBHSA-N 498.650 2.071 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCS(=O)(=O)C1 1705861611 KGEWWVNBTUFLFD-UXHICEINSA-N 478.640 2.198 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1([S@@](C)=O)CC1 1705864724 KRNTZFAHHLUBNI-BJLXPSRBSA-N 466.604 2.423 30 10 JEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](c2ccccc2F)C1 1705907687 UFVXYDGAHHXAKR-FQEVSTJZSA-N 453.522 2.159 30 10 JEEE CC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCOCC2)C[C@H](C)O1 1709372853 DCWCHGCNRMSMBA-FPOVZHCZSA-N 454.575 2.455 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CC1(O)CCCCC1 1712442612 DAEMAFXGTAUSLO-FQEVSTJZSA-N 452.559 2.449 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1ccc(C)n(C)c1=O 1722300700 FTEPXFGPGBUDCI-OAQYLSRUSA-N 473.625 2.156 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Cl)n1CC1CCN(C(C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1722363396 SFKNELAXRZKORB-LJQANCHMSA-N 490.029 2.484 30 10 JEEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@H]1CCOC[C@H]1C 1722386261 YYKCMZGEFMZGPZ-RPWUZVMVSA-N 460.626 2.388 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCCCO2)n1Cc1cccc(CN2CCOCC2)c1 1722429680 VBDZLLUXTCLZBH-HSZRJFAPSA-N 453.587 2.486 30 10 JEEE C=C(Br)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1722488661 AWKSNWQURKRBPQ-KRWDZBQOSA-N 464.364 2.334 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1722506750 WFCBHWINESWQMF-HDAAZOAOSA-N 464.636 2.379 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1722693456 OTQJPUGHRUXTRC-UHFFFAOYSA-N 489.527 2.187 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1722707449 PNKYGHZIHGDWHJ-CTNGQTDRSA-N 487.626 2.098 30 10 JEEE C=CCOc1ccccc1Cn1c(Cc2cccnc2)nnc1N(C)CC(=O)N1CCOCC1 1722708307 PLSSRKNYXLIGIC-UHFFFAOYSA-N 462.554 2.172 30 10 JEEE CC(C)C(=O)NCCN(C)c1nnc(-c2cccc(C#N)c2)n1CC(C)(C)N1CCOCC1 1723081506 HISUVGDCAWCDJE-UHFFFAOYSA-N 453.591 2.136 30 10 JEEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCn2cncn2)C[C@H](C(F)(F)F)O1 1726723094 BIVLMHQHSQTAMO-RHSMWYFYSA-N 462.436 2.176 30 10 JEEE CCS(=O)(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCOC[C@H]2C)CC1 1729216130 GOAUAMXNLRQSJA-XLIONFOSSA-N 472.615 2.397 30 10 JEEE C#CCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1740586679 JLWCLMBKHHUZFD-UHFFFAOYSA-N 459.572 2.338 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCc1ccccn1)[C@H]1CCS(=O)(=O)C1 1740615680 IWJWYDYHHZSWML-QFIPXVFZSA-N 492.605 2.412 30 10 JEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCc1cc(C)cc(C)c1)[C@@H]1CCS(=O)(=O)C1 1740615918 NQERCUCAKWPTIW-OAQYLSRUSA-N 469.611 2.000 30 10 JEEE C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@@H]1CCC(F)(F)C1)[C@H]1CCS(=O)(=O)C1 1740617162 NFFRRFLJRXPHND-BBWFWOEESA-N 460.547 2.064 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1CC1(COC)CCC1)[C@H]1CCS(=O)(=O)C1 1740620913 HVUQSDFWENIJGJ-SFHVURJKSA-N 458.584 2.397 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCCC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1740627758 SHGYZABMCVYCPB-PMACEKPBSA-N 450.605 2.353 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1C[C@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1740628855 VLKCHYUNQWYHTE-VQTJNVASSA-N 459.616 2.051 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2Cc2nccs2)CC1 1740703632 ZFJYIXZIQBRKFS-UHFFFAOYSA-N 496.593 2.442 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2[C@H]2C[C@H]2C)CC1 1740706575 ZXBLKGZPSCTYCM-NEWSRXKRSA-N 472.590 2.133 30 10 JEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2ccc(Cl)cc2C1 1740710015 UNIKJSMBOJBRNE-AWEZNQCLSA-N 454.021 2.471 30 10 JEEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1740720554 CRZJBOHNPROYPV-UHFFFAOYSA-N 453.616 2.357 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1740744055 LIRROXFGMAAASW-MRXNPFEDSA-N 453.385 2.419 30 10 JEEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1740796315 UXXLJPDHBKADSQ-UHFFFAOYSA-N 481.649 2.405 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2(OCC)CCCC2)CC1 1740839757 OEPYCTIHXOGCRW-IBGZPJMESA-N 467.636 2.363 30 10 JEEE C=CCCCCCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCS(=O)(=O)C1 1740857699 VRTHQYXZCYMRJV-ZWKOTPCHSA-N 458.650 2.188 30 10 JEEE C=CCCOCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1740890203 VOIGFQKQZNBACD-LJQANCHMSA-N 472.977 2.265 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H]2CCS(=O)(=O)C2)C1 1740985834 ULDATNCTWUBZID-FCGDIQPGSA-N 452.621 2.413 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1740993593 ARBYMDNUVWDLIS-UHFFFAOYSA-N 492.671 2.216 30 10 JEEE Cc1noc(CCCn2c(-c3cccc(C#N)c3)nnc2N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)n1 1742893805 COXDGSBYUBAEQE-LSDHHAIUSA-N 457.560 2.399 30 10 JEEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(CC(C)(C)C)n1CC1([S@@](C)=O)CC1 1743231461 DHYSWBCFFJTOTM-MWOWJKGTSA-N 456.620 2.155 30 10 JEEE CCCN1CCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1745741581 BAWWYIWPFVEKJV-VXKWHMMOSA-N 451.575 2.032 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1Cc1c(CC)nn(C)c1CC)[C@@H]1CCS(=O)(=O)C1 1748808006 GAISNGUULJJZCV-LJQANCHMSA-N 496.637 2.487 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@H](CC(C)C)NC(=O)OCC)[C@H]1CCS(=O)(=O)C1 1748814357 DQRPQOUEONHYHE-UFYCRDLUSA-N 495.646 2.307 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](CC)Oc1ccccc1F 1748929709 OCNZFDASZKNZRS-YLJYHZDGSA-N 479.578 2.067 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCNC(=O)C2CCC2)CC1 1749019506 XAGZUSHZGXFXBZ-FGZHOGPDSA-N 498.672 2.469 30 10 JEEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@H](COC)C1 1749032602 NAMFKLXLSABUPD-KRWDZBQOSA-N 452.584 2.421 30 10 JEEE C=C(Br)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)CCCC(=O)NC 1749089887 DZFSBOBVPYBTPR-UHFFFAOYSA-N 499.435 2.066 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(OC)c(O)c1 1749118789 JOBDTISMDLUSMF-KNBMTAEXSA-N 479.603 2.220 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cc(OC)nc3ccccc23)C1 1749698290 SPGCWOSTHNFTAL-WMZOPIPTSA-N 486.598 2.275 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCN1CCCO[C@H](C)C1 1760112020 ZAZCPIDEOUHWOS-RTBURBONSA-N 463.586 2.151 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(O)CCCCCC1)[C@H]1CCS(=O)(=O)C1 1760180804 LGGAUZXCAZSHSO-RDPSFJRHSA-N 494.658 2.031 30 10 JEEE C#CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1760277360 IFCCEUJDQRGYGG-UHFFFAOYSA-N 463.629 2.086 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@](C)(O)CCOC 1760293313 RHAVZXBKXNXKJM-YADHBBJMSA-N 460.604 2.018 30 10 JEEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1760312840 FKZHBEJHWYDOFL-KKUMJFAQSA-N 458.357 2.188 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@H](C(N)=O)C1 1760313148 KCVBBZIZRGTEKM-SCTDSRPQSA-N 472.977 2.154 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(C)C)C(=O)C1 1760327236 FANIHIQETZWKKZ-LGGPRVQUSA-N 461.607 2.288 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](OCCCc2ccccc2)C1 1760346316 RWNSAJPFKFWSPJ-FGZHOGPDSA-N 489.642 2.415 30 10 JEEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccc1C 1760356971 ARLZYBMQXMMWOQ-HXUWFJFHSA-N 463.604 2.149 30 10 JEEE C=C(Cl)Cn1c(COc2ccccc2OC)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1760380222 WBUMTZGFVHDUSU-LJQANCHMSA-N 474.949 2.385 30 10 JEEE C=CCCOCCn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1760447925 SHMJGQZBGYAIKW-GOEBONIOSA-N 463.380 2.354 30 10 JEEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 1760449092 ACQLUTQBAUTUDJ-FQEVSTJZSA-N 458.607 2.297 30 10 JEEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCCCCC2)C1 1767251596 GQTTXIZOAAOFSG-NRFANRHFSA-N 471.631 2.211 30 10 JEEE CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)CCC2CCCC2)CC1 1769338820 HILUGCDHEJLUKY-UHFFFAOYSA-N 493.612 2.484 30 10 JEEE COCCN(CCC#N)c1nnc(Cc2ccncc2)n1CC1CN(C(=O)OC(C)(C)C)C1 1769846823 IFKFOFJBVRARPA-UHFFFAOYSA-N 455.563 2.497 30 10 JEEE N#C[C@H](c1cccs1)N1CCC(C(=O)N[C@H](CO)C(=O)Nc2ccc3c[nH]nc3c2)CC1 1866866783 KQFQXMLOWXTQFP-RTBURBONSA-N 452.540 2.017 30 10 JEEE COCCCN1C(=O)c2ccc(C(=O)Nc3c(C#N)nnn3-c3ccc(OC)cc3)cc2C1=O 1870141703 GROGAQQDPKCNDS-UHFFFAOYSA-N 460.450 2.032 30 10 JEEE CCCCCCCCN=c1nc(N(CCO)CCO)[nH]c(=Nc2ccc(OC)c(OC)c2)[nH]1 1871540927 KAVXQORJVXFPHX-UHFFFAOYSA-N 462.595 2.040 30 10 JEEE C=CCn1c(C(=O)NCCCN2CCCC2=O)cc2c(N3CCN(c4ccccn4)CC3)ncnc21 1873591992 YJZGLVUMDLFKOZ-UHFFFAOYSA-N 488.596 2.081 30 10 JEEE CN1CCN(CC#CCOC2CCN(C(=O)C3CN(c4nc5ccc(F)cc5s4)C3)CC2)CC1 1889670786 GQCWFKNSFDZNBB-UHFFFAOYSA-N 485.629 2.130 30 10 JEEE N#CC1CC(O)(C[S@](=O)C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)C1 1990667674 GPLMKDFBFUWUKH-AEPRGOIKSA-N 468.531 2.392 30 10 JEEE CC1(C)OB(CC2CN(S(=O)(=O)C[C@@](C)(F)CN3C(=O)c4ccccc4C3=O)C2)OC1(C)C 2000542483 KHZOVOZWDQIJMI-QFIPXVFZSA-N 480.367 2.365 30 10 JEEE CC(C)(C)OC(=O)NCC(CNC(=O)OC(C)(C)C)NS(=O)(=O)c1cccc(F)c1C#N 2054408134 NSMQILXLDXYNCI-UHFFFAOYSA-N 472.539 2.394 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O 2060127620 KGVLOEGDMOEFEW-ZACQAIPSSA-N 454.568 2.450 30 10 JEEE CC1(C)OB(c2c[nH]nc2C(=O)N2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)OC1(C)C 2255831701 ZXENGOIIGVXNRA-SFHVURJKSA-N 468.363 2.488 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H](O)CNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2255939528 BOGZTSUJNFWANR-AWEZNQCLSA-N 454.760 2.255 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CN(C(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)CCO1 2267015582 QEKLKFZRNKUZSL-HOCLYGCPSA-N 450.341 2.333 30 10 JEEE COC1(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)oc2C)CN(C(=O)OC(C)(C)C)C1 2267514525 AMFIMQOMODRRDX-UHFFFAOYSA-N 450.341 2.253 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCO[C@H]2[C@@H]1NC(=O)c1csc(B2OC(C)(C)C(C)(C)O2)c1 2267562002 WZJBSTPXGAGZIV-RKTXRCNFSA-N 464.393 2.458 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCOC[C@@H]1NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2267715369 WOGBOEWADZDYMI-KBPBESRZSA-N 488.437 2.008 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H]1C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2268651018 SUYRIXJLVIHCFG-WMLDXEAASA-N 450.316 2.434 30 10 JEEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)C1(NC(=O)OC(C)(C)C)CC(O)C1 2268706417 ODKJVIGZLNRSJV-UHFFFAOYSA-N 466.409 2.424 30 10 JEEE Cn1ncc(C(=O)N2C[C@@H]3CN(Cc4ccccc4)C[C@]3(C)C2)c1B1OC(C)(C)C(C)(C)O1 2281816572 YSAMSCOSLNFSKZ-UQBPGWFLSA-N 450.392 2.313 30 10 JEEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CCNC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2281820800 HQWMNRFCMWHNBA-HZPDHXFCSA-N 462.400 2.342 30 10 JEEE CCc1nn(C)c(C(=O)NC[C@@H]2C=CCN2C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2281985089 HNBQEBWPCGNFOK-HNNXBMFYSA-N 460.384 2.187 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)n1 2282010511 YEOPCHIBGOPACI-BGYRXZFFSA-N 450.392 2.406 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)c1 2282113151 MMBUDHBLFDAITB-LPHOPBHVSA-N 460.380 2.252 30 10 JEEE C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282303686 ZPGFXMOGWMDFDX-MAUKXSAKSA-N 481.424 2.305 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCC1(CCOCc2ccccc2)CC1 2282349727 CIJYLNBCFVFLHV-UHFFFAOYSA-N 475.420 2.385 30 10 JEEE Cc1nn(C)c(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2F)c1B1OC(C)(C)C(C)(C)O1 2282559461 PMCFTOGVKXHNPF-LSDHHAIUSA-N 466.363 2.105 30 10 JEEE Cn1ncc(C(=O)N[C@@]23CCCN(C(=O)OC(C)(C)C)C[C@H]2C3)c1B1OC(C)(C)C(C)(C)O1 2282574775 TWQLGABPWIAQBQ-IQMFZBJNSA-N 460.384 2.239 30 10 JEEE Cn1cc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)[C@@H]3CCC[C@@H]23)c(B2OC(C)(C)C(C)(C)O2)n1 2282575746 HSLMPQVMNPRFSN-USXIJHARSA-N 460.384 2.237 30 10 JEEE CC(C)(C)OC(=O)N1C[C@]2(C)CN(C(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)C[C@@]2(C)C1 2282581738 LYYVBYLSIGFYAX-GOTSBHOMSA-N 460.384 2.428 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C(F)(F)CC1 2282584968 YAJRTCIDXHQZGL-AWEZNQCLSA-N 470.326 2.474 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1[C@@H]2CCCN(C(=O)OC(C)(C)C)[C@H]21 2282590263 YSGFYUGTLUSLBX-USXIJHARSA-N 460.384 2.330 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H](NC(=O)OC(C)(C)C)[C@H]2COC[C@@H]21 2282592355 BTIOMFVTEQGRNE-ILXRZTDVSA-N 479.408 2.115 30 10 JEEE CN([C@@H]1CCCN(Cc2ccccc2)C1)S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282843664 QRNTZDCIKGYOIE-LJQANCHMSA-N 474.436 2.004 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@H]1CNS(=O)(=O)c1c(F)cc(F)cc1B1OC(C)(C)C(C)(C)O1 2282872059 PQHCBOQNUMRUJN-LRDDRELGSA-N 488.362 2.456 30 10 JEEE CC(C)(C)OC(=O)N(CC(=O)N=c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)[nH]1)[C@@H]1CCOC1 2288187083 RGOAYRBFJQKADJ-CQSZACIVSA-N 481.786 2.421 30 10 JEEE COc1ccccc1[C@H]1C(=C(O)c2c(C)nc3ccccn23)C(=O)C(=O)N1CCN1CCOCC1 2296125626 KQVYSCBXKYJFHF-QHCPKHFHSA-N 476.533 2.405 30 10 JEEE COc1ccc(N2C[C@@H](c3nnc(S)n3N=Cc3cc([N+](=O)[O-])c(O)cc3O)CC2=O)cc1 2322274368 QPNSCCXRUSLNQA-LBPRGKRZSA-N 470.467 2.298 30 10 JEEE Cn1nc(C(=O)N[C@H]2[C@@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2334270123 FNURMQURGUHVEJ-BZPMIXESSA-N 466.775 2.110 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C1 2362352855 HCQOWGUIWWEZFU-HZPDHXFCSA-N 460.384 2.191 30 10 JEEE COc1ccc(NC(=O)[C@@H]2COC[C@H]2NC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2365287839 FQJRJZHLYHWKSF-NVXWUHKLSA-N 462.352 2.473 30 10 JEEE Cn1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H]3CCC[C@@H]32)nc1B1OC(C)(C)C(C)(C)O1 2367687888 XRSUGVLGASGYMK-DLBZAZTESA-N 460.384 2.333 30 10 JEEE CS(=O)(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)Nc2sccc2C#N)CC1 8932891 RRDNKMFEOSJGLA-UHFFFAOYSA-N 453.567 2.063 30 10 JEEE COc1ccc(CCNC(=O)c2ccc(/N=C3/N[C@H]4CS(=O)(=O)C[C@H]4S3)cc2)cc1OC 9524426 GCRAPGVMIIQFDZ-FXAWDEMLSA-N 475.592 2.166 30 10 JEEE CCCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CC)c2N2CCN(CCO)CC2)SC1=S 33468051 QFZLELBKXLSSCD-RGEXLXHISA-N 489.667 2.164 30 10 JEEE Cc1ncc(/C(O)=C2/C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccc(F)c2)c(C)n1 102751594 UKJJTECGRYKYIQ-SADKCHQCSA-N 454.502 2.377 30 10 JEEE COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccccn2)cc1F 102754136 LQJKFIICXAKVQJ-AGGMBTAESA-N 455.486 2.373 30 10 JEEE C=CCNC(=O)CN1CCN(C(=O)c2c(NC(=O)c3cccnc3)sc3c2CCCC3)CC1 109105916 ACZADGVUCRDBOR-UHFFFAOYSA-N 467.595 2.334 30 10 JEEE CSCC[C@]1(C(=O)O)N[C@H](c2ccccc2C#N)[C@H]2C(=O)N(Cc3ccc([N+](=O)[O-])o3)C(=O)[C@H]21 247551783 WDATVRZSCHKSNA-AYMMHLMVSA-N 484.490 2.082 30 10 JEEE COc1ccc(NC(=O)C[S@](=O)CC(=O)Nc2sc3c(c2C#N)CCC3)c([N+](=O)[O-])c1 586332930 SVMYSAMPEDELBJ-HKBQPEDESA-N 462.509 2.351 30 10 JEEE C#CCN(C(=O)CSc1nnc(-c2ccc(F)cc2)n1C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 729331958 RZYUWWUHZRFWHZ-RTBURBONSA-N 492.598 2.004 30 10 JEEE Cc1nnc(COc2ccc(NC(=O)C[C@@H](C)/N=C3/NS(=O)(=O)c4ccccc43)cc2)o1 1136674350 FXJRKRRIFDWWFN-CYBMUJFWSA-N 455.496 2.413 30 10 JEEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(OC)c(-n3nnnc3C3CC3)c2)cc1 1137376253 TVAWCIKKSZZSDV-UHFFFAOYSA-N 454.512 2.265 30 10 JEEE COC1(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CCN(C(=O)OC(C)(C)C)CC1 1138107969 GRVMQXYQAWOEKX-JKSUJKDBSA-N 452.552 2.278 30 10 JEEE COc1ccc([C@@H](NC(=O)Cn2cc(C#N)c(O)nc2=O)c2ccccc2Cl)c(OC)c1 1148232302 FIAAZWZVESOTQU-FQEVSTJZSA-N 454.870 2.397 30 10 JEEE C=CCn1c(SCC(=O)NCC(=O)N[C@@H](C)c2ccc(F)cc2)nnc1-c1cnccn1 1165788635 BTLBLDXJAIBSSN-AWEZNQCLSA-N 455.519 2.146 30 10 JEEE COC(=O)[C@H](CSCC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(OC)cc1)NC(C)=O 1166170962 AEKJNPZHSOMUOM-IBGZPJMESA-N 458.540 2.324 30 10 JEEE C#CCN(c1nnc(C2CC2)n1Cc1ccc(C(=O)N(CC)CC)cc1)[C@H]1CCS(=O)(=O)C1 1286389346 IIJNOORBWAFGMU-NRFANRHFSA-N 469.611 2.313 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@H](C)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1286389548 MEPLIKZJUOBHQA-MSOLQXFVSA-N 488.614 2.188 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1nc(C(F)(F)F)cs1)[C@@H]1CCS(=O)(=O)C1 1286391171 GMWPVIZXPXRHCA-OAHLLOKOSA-N 496.540 2.414 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@H]1CCCOC1)[C@H]1CCS(=O)(=O)C1 1286395751 NBXYRVXNQQWUGI-MJGOQNOKSA-N 462.547 2.050 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCc1c(F)cccc1F)[C@@H]1CCS(=O)(=O)C1 1286398517 KORYATHFYQHRRI-FVJLSDCUSA-N 494.564 2.150 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1c(C)noc1C 1286421048 MGXUOONPBYYCRU-UHFFFAOYSA-N 466.567 2.311 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCN(C)S(=O)(=O)CC 1286452089 BHMJABYKIBFZFT-SFHVURJKSA-N 482.651 2.481 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@]2(O)CCSC2)CC1 1286473958 ZDHZNRRGUKXOJQ-HXUWFJFHSA-N 462.417 2.331 30 10 JEEE C=C(Br)Cn1c(N2CCC3(CC2)COC(=O)N3)nnc1[C@]1(OC(C)C)CCOC1 1286548671 PKOCBNFZURJOCM-IBGZPJMESA-N 470.368 2.306 30 10 JEEE C=C(Cl)Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1286631962 BUXMPXCCXDATDQ-KRWDZBQOSA-N 487.051 2.017 30 10 JEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(OCC(F)(F)F)nc2)CC1 1286637323 BLIQAQWWKVTOBE-CQSZACIVSA-N 474.509 2.429 30 10 JEEE C=CCCOCCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1286716303 JPFNSQWFWZLIRD-WMZOXILCSA-N 450.580 2.368 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@]2(O)CCO[C@H]2C)C1 1286814077 JOUNJOLFWNCOMX-RSNROMBLSA-N 477.606 2.370 30 10 JEEE C#CCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1300390867 BMLNIEUGYJPGKF-HNNXBMFYSA-N 453.515 2.430 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CC[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1300482456 GCECSAQOPNXFFQ-HOCLYGCPSA-N 482.404 2.089 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CC1(CC)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1300497256 AFIHXYHJVKTHTC-HXUWFJFHSA-N 457.600 2.097 30 10 JEEE C#CCN(c1nnc(CSc2ccccc2OC)n1C[C@@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1300505132 XYVCVOBSMXSBSR-QZTJIDSGSA-N 477.656 2.156 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCN(C2CC2)C1 1300642603 LKTQLCURMRBEHC-PKOBYXMFSA-N 474.606 2.152 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCCOC3)n2C[C@@]2(O)CCC[C@@H]2C)n1 1300680983 IMTCNJKMGOHBAX-ROKPMTFOSA-N 456.591 2.206 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H]2CN(CC(C)C)CCO2)CC1 1300690865 KQIINPSANLWHIZ-JOCHJYFZSA-N 482.629 2.074 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2cccc(OCC(=O)N(C)C)c2)CC1 1300691457 ZLSYXFBQLXJNNP-UHFFFAOYSA-N 493.999 2.264 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2sc(C)nc2C)CC1 1300730599 CETWFKZASSQBRG-UHFFFAOYSA-N 497.650 2.357 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCCSC2)CC1 1300730968 IRRSGJXPLDBGDM-QGZVFWFLSA-N 486.667 2.379 30 10 JEEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1300763732 XDHGWRPTSXFIIM-LJQANCHMSA-N 455.584 2.207 30 10 JEEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1300766254 XYSYQVJVDSZTAJ-NFBKMPQASA-N 496.681 2.233 30 10 JEEE C=C(Br)Cn1c(-c2cccn2C)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1300837116 IJDBKZDGPJYMFS-IBGZPJMESA-N 462.352 2.007 30 10 JEEE C=C(Br)Cn1c(N2CC[C@@H](CN3CCOCC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1300861192 BLQLHHBWVPLICO-RXVVDRJESA-N 484.439 2.386 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1301578415 ADWZZPMQWZUEDW-OAHLLOKOSA-N 458.510 2.014 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2c[nH]c3ccccc23)nnc1N1CCN(C(C)=O)C[C@H]1C 1301579594 XFWHZYAREJLJTG-MRXNPFEDSA-N 456.572 2.084 30 10 JEEE CC(C)(C)OC(=O)NCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCO[C@@H](C#N)C1 1302274691 CSQXPRPIIVTOHL-IBGZPJMESA-N 464.530 2.384 30 10 JEEE C[C@H]1CCCN([C@@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)C1 1305023357 GQHPCCYMNAFLEU-UFYCRDLUSA-N 485.658 2.407 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CC(F)(F)CO1 1358877187 YMNBCTVIHQFOGQ-GOEBONIOSA-N 453.515 2.078 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(=O)N(C)C1CCCCC1 1358885532 LYAXWBDJPCIHDJ-KRWDZBQOSA-N 461.570 2.441 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1cccc(NC(=O)OC)c1)[C@@H]1CCS(=O)(=O)C1 1358955098 DNXGWUBJZXSCPF-GOSISDBHSA-N 459.572 2.429 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC1(C)COC1)[C@H]1CCS(=O)(=O)C1 1358956591 IATBFSNDQMLDOB-WMZOPIPTSA-N 462.547 2.220 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ncnn1-c1ccccc1 1358986290 SQUUVGFXHPLRLZ-RUZDIDTESA-N 459.554 2.411 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCSCC(F)(F)F)CC1 1359041766 HWQXWMNXGWPVNB-HXUWFJFHSA-N 489.564 2.192 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@H](c2ccc(C)cc2)N(C)C)CC1 1359045072 VWEZQIAWXMTHHV-XZOQPEGZSA-N 464.614 2.359 30 10 JEEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1ccc(F)cc1)C1CC1 1359057378 YHRYGJJPEXUZFS-HXUWFJFHSA-N 493.630 2.286 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cc(C)cc(C)c1 1359070433 MNALCFQYGFDMDK-XUZZJYLKSA-N 471.627 2.463 30 10 JEEE C=C(Br)Cn1c(N2CCC(S(=O)(=O)CC)CC2)nnc1[C@@]1(OCC)CCOC1 1359088126 BUPQSYVBHAOADZ-GOSISDBHSA-N 477.425 2.242 30 10 JEEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1359283455 RMCJJRDVOKIALS-OWCLPIDISA-N 456.613 2.204 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(F)F)CC1 1359310513 YFZPNGXGZXUURO-GOSISDBHSA-N 481.569 2.180 30 10 JEEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NC[C@H]1CSCCN1Cc1ccccc1 1469772825 FPMRJNHXPIGOFV-ICSRJNTNSA-N 451.600 2.186 30 10 JEEE C#CCCCS(=O)(=O)N1CC[C@@H](c2ccc(OC)c(F)c2)[C@@H](NC(=O)C(F)(F)F)C1 1475468206 KHCYGUAOUDAGFV-HOCLYGCPSA-N 450.454 2.414 30 10 JEEE CCCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)N2CCOCC2)C1 1499877349 BQTXMZHDGXRQLJ-DENIHFKCSA-N 465.602 2.423 30 10 JEEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1507558453 QXKYXAKTCFGTCY-KNQAVFIVSA-N 471.627 2.309 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1Cc1cc(C)cc(OC)c1)[C@H]1CCS(=O)(=O)C1 1507621766 CDFKKVIWEAMTLW-FQEVSTJZSA-N 487.626 2.189 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc3ccccc3n2)n1CCS(=O)(=O)NC(C)C 1507668784 MPVGYXVCEAROAP-UHFFFAOYSA-N 450.568 2.284 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1c(C)nn(C)c1C 1507711194 PWBHROJLIWFWIQ-HXUWFJFHSA-N 487.605 2.071 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2CCCN2C[C@H](C)O[C@@H](C)C2)CC1 1507733154 YIOWJZNHWALONM-VXKWHMMOSA-N 482.629 2.120 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(O)(C(F)(F)F)CC1 1507791669 PNLBMWXQDREZIK-CVEARBPZSA-N 457.497 2.389 30 10 JEEE C=CCCOCCn1c(-c2ccc[nH]2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1507960631 QBXSFEKPGGYYIB-SFTDATJTSA-N 469.634 2.492 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@@H](C(=O)N[C@@H](C)CCC)C1 1508079551 YMTOIHSBGKSJRO-PKOBYXMFSA-N 482.585 2.497 30 10 JEEE CC(C)(C)NC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCCS2(=O)=O)CC1 1508621736 DAXCUUWPDQQXFN-FQEVSTJZSA-N 499.641 2.414 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1Cc1nc2cccc(Cl)c2n1C 1510147590 BZSIDWCFCIHRET-OLZOCXBDSA-N 464.983 2.215 30 10 JEEE CN(C)C(=O)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1516959461 CZLZQZPLLSGSPH-VQTJNVASSA-N 452.559 2.460 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](c2ccccc2)[C@@H]1C 1539125238 KMMYQFHEUPNNKL-JBACZVJFSA-N 457.600 2.407 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H](C)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1539206546 RCQOYNBOBHDWOQ-NVXWUHKLSA-N 497.463 2.393 30 10 JEEE C#CCN(CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1snnc1C 1539377903 WZBKCTPBDKPGBW-UHFFFAOYSA-N 450.616 2.311 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCNC(=O)[C@H](C)CCC)CC1 1539438151 PPDTVUHFURJVDL-GOSISDBHSA-N 453.547 2.161 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2Cc2ncn(C)n2)CC1 1539469992 WTKIJJYVDZKLDT-MRXNPFEDSA-N 482.976 2.214 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2CC2CC3(CCOCC3)C2)CC1 1539470033 XKOVZMWXXACOHX-LJQANCHMSA-N 473.618 2.175 30 10 JEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cc(F)c(F)c(F)c1 1539495944 ABMMAJPGUIYYFA-GFCCVEGCSA-N 461.535 2.308 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2ccccc2C)C1 1539706829 VBRWDSHJDVWJOQ-VQTJNVASSA-N 461.588 2.073 30 10 JEEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN2CCOC[C@@H]2C1 1539730087 WQYJFUVYZMZXAS-INIZCTEOSA-N 451.369 2.149 30 10 JEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 1539758512 OCWDSUTYSZSXAM-UHFFFAOYSA-N 484.576 2.024 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1539918466 NDLDJRIRTAYBOM-MRXNPFEDSA-N 493.659 2.107 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC)n1CCS(=O)(=O)N1CCSCC1 1540128785 PCLDYYBSMKEGHL-UHFFFAOYSA-N 460.629 2.283 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N(CC)Cc1nc(O)c2sccc2n1 1540867741 FYKTXQFECPFRHO-UHFFFAOYSA-N 450.528 2.379 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1540872619 VHPIJIZRPKKCHY-UHFFFAOYSA-N 467.549 2.237 30 10 JEEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1540913120 ISUMCUXMDQWPNG-BGYRXZFFSA-N 486.690 2.224 30 10 JEEE Cc1nc(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCC(O)(C(F)(F)F)CC2)n[nH]1 1542945235 CLYMKHQGANCACA-UHFFFAOYSA-N 476.463 2.292 30 10 JEEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1547312968 GPZQCRJKMQGPMZ-UHFFFAOYSA-N 451.575 2.378 30 10 JEEE CCn1cc([C@@H]2C[S@@](=O)CCN2C(=O)COc2cccc(Br)c2C#N)cn1 1556441631 GGOHREHWCZOJPC-OQRWROFFSA-N 451.346 2.248 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1csc(COC)n1 1587581198 XODPALSGHXKVNQ-HNNXBMFYSA-N 474.612 2.305 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCS(=O)(=O)NC(C)C)CC1 1588742739 URINPGUQZWZPGA-NRFANRHFSA-N 488.658 2.118 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2Cc2cnn(CCOC)c2)CC1 1588913229 CWOHQCVSHKBWLH-UHFFFAOYSA-N 461.570 2.111 30 10 JEEE C=C(C)COCCn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1593777334 YCEJOSSWBDXDNF-OAQYLSRUSA-N 460.623 2.293 30 10 JEEE C=CC[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CCOC)C(=O)C1)c1ccccc1 1594535023 PILOPYOABBTXRW-OAQYLSRUSA-N 466.586 2.169 30 10 JEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC(=O)Nc1c(C)cccc1C 1594733125 NONDBKGEFOAWOJ-LJQANCHMSA-N 490.630 2.269 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCOC[C@@H]1OC 1595116890 WVCODDBFHKUZGD-NJYVYQBISA-N 460.600 2.424 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[C@H]1c1cnn(C)c1 1595496624 BHNRMNSZENEUPW-SFHVURJKSA-N 481.557 2.348 30 10 JEEE C=CCSCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCO[C@@H](C(=O)NC)C1 1595871386 PIKLNFRZNPRDNC-LJQANCHMSA-N 454.556 2.471 30 10 JEEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C[C@H]2CCOC2)C1 1595883980 DYODQRPVKSNBNJ-AQNXPRMDSA-N 499.703 2.173 30 10 JEEE Cc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)[C@H](C)CC#N)c(O[C@H]2CCOC2)c1 1612079978 GZQPIDTXEIJIOQ-RLLQIKCJSA-N 473.599 2.443 30 10 JEEE CC1CCN([C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(CC(=O)N(C)C)CC2)CC1 1612822204 DSVFDRFVGMYCJO-OAQYLSRUSA-N 478.645 2.147 30 10 JEEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2COCCO2)C[C@H](C(F)(F)F)O1 1612977696 GVJZWLXWUCMOSS-FHLIZLRMSA-N 467.448 2.300 30 10 JEEE CCN(C[C@H](C)C#N)S(=O)(=O)N1CCC(C(=O)Nc2ccc(Br)cn2)CC1 1621668032 FDSTXEZQHAYZSA-CYBMUJFWSA-N 458.382 2.221 30 10 JEEE C#CCN1CCCN(C(=O)c2ccc(Br)c(S(=O)(=O)NC(C)(C)C)c2)CC1 1628350959 TUGJNWUQPKNCNV-UHFFFAOYSA-N 456.406 2.307 30 10 JEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H](C(=O)OCc1ccccc1)C(C)(C)C 1632772956 AUBFMHYLFULGJL-OXQOHEQNSA-N 457.552 2.499 30 10 JEEE CC(C)(C)O[C@@H]1C[C@H](NC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)[C@@H]1n1cccn1 1634918110 AMKGNBPADKCTBD-MHTWAQMVSA-N 450.543 2.352 30 10 JEEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1689911056 ZBUFGBCFOIYHBN-UHFFFAOYSA-N 450.547 2.067 30 10 JEEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1ncnn1-c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1689980757 WVQFSJIVXIONFP-PKOBYXMFSA-N 453.572 2.047 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Cl)n1CC[C@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1689986252 LSYJEAUDGWDDDF-IRXDYDNUSA-N 464.975 2.031 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1cccc(C(F)F)c1)[C@H]1CCS(=O)(=O)C1 1689990139 MBFSPNIQBNQKDD-ROUUACIJSA-N 450.511 2.395 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@](C)(O)c1cccs1)[C@@H]1CCS(=O)(=O)C1 1689991270 ZBRPPYXPYCLFCJ-WWMYMODYSA-N 464.613 2.116 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H]1CCCN(C(C)=O)C1 1690098365 FYALYAVHDKZUJZ-LJQANCHMSA-N 453.543 2.061 30 10 JEEE C#CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1690170047 XOPQWOIVXKPEPG-AEFFLSMTSA-N 462.645 2.466 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(CC(=O)NCC)CC1 1690247467 BGLBURIXJIBXQE-UUOWRZLLSA-N 488.583 2.386 30 10 JEEE C=C(Cl)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1690331565 ZBUMJLBSXFKADU-LJQANCHMSA-N 469.030 2.279 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1690526825 DYAMFCRDTKTGRQ-DLBZAZTESA-N 453.609 2.450 30 10 JEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1690674965 LRLOOKCYSBFCPZ-UHFFFAOYSA-N 487.612 2.026 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCO[C@H](COC(C)C)C1 1690724160 JDEZIIGQYONVCK-RXVVDRJESA-N 492.598 2.022 30 10 JEEE Cc1ncc(CN(C)c2nnc(COc3ccc(C#N)cc3)n2CC2(C(N)=O)CCOCC2)s1 1693377327 ABRTZFVJHKLGNI-UHFFFAOYSA-N 481.582 2.412 30 10 JEEE CC[C@@H](C)[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1693933867 HKGKQHCEOXENAQ-CLOONOSVSA-N 481.601 2.188 30 10 JEEE C#CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1705547285 BKFGKHFTTZLPPJ-CZIZESTLSA-N 485.342 2.312 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1705559660 DQCBTXAJCPUDPZ-INIZCTEOSA-N 469.489 2.336 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1CCN(C)CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1705565050 RZHNMRIRHJWHDK-INIZCTEOSA-N 485.532 2.075 30 10 JEEE C#CCN(c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC=C)[C@@H]1CCS(=O)(=O)C1 1705565707 JTXVHOFNTGAMRX-GOSISDBHSA-N 463.604 2.205 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCC[C@H]1OC 1705591305 NHJLNGQUKYRDQR-IFMALSPDSA-N 469.611 2.473 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCO[C@@H]2CCCC[C@H]2C)CC1 1705643473 HKVYBZUPAPHIHM-TZIWHRDSSA-N 470.618 2.075 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCC=C(C)C)CC1 1705646169 TXRYGWJDHCLDOA-UHFFFAOYSA-N 459.558 2.243 30 10 JEEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1705680824 HXVXJRICZMJLPE-PVAVHDDUSA-N 458.401 2.068 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@H](C(=O)NC)C1 1705707845 SMBIPFPRPHOXHZ-LJDSDSDDSA-N 461.607 2.129 30 10 JEEE C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1705720309 MNXLELYBUUOSQT-UHFFFAOYSA-N 451.453 2.396 30 10 JEEE C=CCCOCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1705832644 DKWBXDYVUPXKME-MOPGFXCFSA-N 489.621 2.499 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1705897430 MHIGKZCSWJZUMQ-WBVHZDCISA-N 482.006 2.387 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCCC 1705935974 HIJVIAPAHMYYNN-KRWDZBQOSA-N 471.624 2.424 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 1705936865 ZTXWPXAMEWFGHC-TZIWHRDSSA-N 493.674 2.248 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(c2ccc(F)c(OC)c2)CC1 1705938823 KGDXRWVREKLGSE-LJQANCHMSA-N 479.578 2.205 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(Cc2csc(CC)n2)CC1 1705939064 RBDDSNDXHXSTOS-GOSISDBHSA-N 480.660 2.072 30 10 JEEE C=CCSCCn1c(Cc2cccnc2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1705947595 QOTHMXZIMWJTKM-UHFFFAOYSA-N 497.669 2.123 30 10 JEEE CC(=O)NC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCC(C)CC2)CCO1 1706054657 FHOIIYUWIQXANE-XMMPIXPASA-N 495.628 2.192 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1cccc(S(=O)(=O)NC)c1 1708738670 DVVSQMWEQZHDNR-HSZRJFAPSA-N 487.630 2.283 30 10 JEEE CNC(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCc2cnn(C)c2)C1 1711347590 CAMNADKXNSENCW-FQEVSTJZSA-N 462.558 2.057 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(C)(C)C(=O)NCC 1722295725 LICSHWRTQWZLPP-IAGOWNOFSA-N 462.595 2.207 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cccc(CN2CCOCC2)c1 1722305387 GXEKOGGHUQXQIA-OIBXWCBGSA-N 453.587 2.341 30 10 JEEE C#CCCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)CCc2ccc(OC)cc2)CC1 1722329484 GYMRETXVHLEUBK-UHFFFAOYSA-N 459.554 2.439 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1C[C@H](OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1722363417 FQWVTAINFOFUNE-WMZOPIPTSA-N 496.431 2.098 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H]1N(C)CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1722363994 DHQDEBIFCYSZFZ-SFTDATJTSA-N 470.643 2.011 30 10 JEEE C#CCN(c1nnc(CCOc2ccccc2)n1C[C@@H]1CCCS1)[C@@H]1CCS(=O)(=O)C1 1722371760 LHQFCNURJRXHPB-QUCCMNQESA-N 460.625 2.422 30 10 JEEE C#CCN(c1nnc(CCOc2ccccc2)n1CCc1nccs1)[C@H]1CCS(=O)(=O)C1 1722372587 ZWEGDRGBIUCKCQ-SFHVURJKSA-N 471.608 2.226 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCS(=O)(=O)C(C)(C)C 1722394169 OQVDHNNEQYUYJY-UHFFFAOYSA-N 494.621 2.351 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2cccc(N(C)C)c2)CC1 1722443373 HWXBBLMVYNKPRB-SANMLTNESA-N 480.613 2.010 30 10 JEEE C=C(C)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCCN(S(C)(=O)=O)CC1 1722522784 BYUCIFBJIOXBMS-UHFFFAOYSA-N 485.614 2.113 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 1722700270 CXFXQFXRGZIRRJ-GOSISDBHSA-N 494.600 2.312 30 10 JEEE C[C@@]1(C#N)CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCOc2ncccc2Cl)C1 1724009773 FTPWXMKIMCCKEN-YWZLYKJASA-N 464.979 2.438 30 10 JEEE COC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CSCCS2)CC1 1729799155 HDGYUHZWIKLIJS-GOSISDBHSA-N 474.612 2.466 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCC[C@@H]2OC)c1 1740564471 OFDQURKBYZREMA-ZVDOUQERSA-N 485.610 2.052 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2Cc2csc(COC)n2)c1 1740564797 XZOIIJNZZSZIDJ-UHFFFAOYSA-N 493.593 2.108 30 10 JEEE C#CCCCn1c(COc2ccc(C)cc2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1740596128 UJXGBXJFXWMEMY-XMMPIXPASA-N 450.543 2.393 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H]1CC[C@](C)(CC)O1)[C@H]1CCS(=O)(=O)C1 1740626069 RTQZJZGAXMNWSP-JTAQYXEDSA-N 457.600 2.238 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@@H]1CCC[C@@H]1OC)[C@@H]1CCS(=O)(=O)C1 1740628391 PYYAVPQBJOOXSN-DSKINZAPSA-N 476.574 2.438 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@@H](CC)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1740628982 XWXKYPKWAVHIOH-WOJBJXKFSA-N 489.617 2.497 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc3cccnc23)n1CCN1CCN(C(C)=O)CC1 1740651228 CLCZYZLSCAXISW-UHFFFAOYSA-N 455.566 2.120 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1cccs1)N1CCCC1 1740686111 OOAAKYCABKVFJE-RBUKOAKNSA-N 477.656 2.165 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CC(=O)NCCC)CC1 1740691369 ARCXRQQSWBGIKU-UHFFFAOYSA-N 459.392 2.297 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@H]2CCCCS2(=O)=O)CC1 1740691419 CGOYNEDJEWEUPX-QGZVFWFLSA-N 465.982 2.460 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCCN2C[C@@H](C)C[C@@H](C)C2)CC1 1740704614 PZHJTJKROIYIRP-BGYRXZFFSA-N 466.634 2.012 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C(=O)N(C)c2ccccc2)C1 1740717472 SWRQECQPCGWPFJ-RTBURBONSA-N 487.651 2.036 30 10 JEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCCN(C(=O)c2ccccc2F)CC1 1740796011 KSCMTNRGMHKKGQ-UHFFFAOYSA-N 484.576 2.485 30 10 JEEE C=CC1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCC(=O)N(C)C)CC1 1740840244 VGRPECDUAPLNIU-GOSISDBHSA-N 462.595 2.467 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CC[C@@H](C)N(Cc2ccccc2)CC1 1740991857 GUNGEMSUURWCDQ-IFMALSPDSA-N 473.643 2.484 30 10 JEEE CCOc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(C)n(C)c1=O 1746888827 HEZOJWBJHJKAMS-IBGZPJMESA-N 464.526 2.040 30 10 JEEE CN1CC[C@](O)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](OCC(F)(F)F)C2)C1 1748049960 GPJYPCHYXQFKGD-WIYYLYMNSA-N 464.492 2.431 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cc(F)ccc1N1CCOCC1 1748641354 FUNAMVCJZMMVST-MHECFPHRSA-N 457.550 2.412 30 10 JEEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@H](C)c2nc(C(C)C)no2)CC1 1748710337 MTAMTHPUKJXSBC-QZTJIDSGSA-N 454.579 2.422 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCc1nccs1)[C@H]1CCS(=O)(=O)C1 1748809860 WUONMAYZZINNPW-KRWDZBQOSA-N 472.552 2.179 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](c1ccccc1)N1CCOCC1 1748874958 GDJKEMZOLRODFZ-QHCPKHFHSA-N 483.576 2.462 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnccn2)n1C[C@@H]1CCCS(=O)(=O)C1 1748944066 KRAWVWAUWDKCLQ-SFHVURJKSA-N 454.531 2.339 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1cccc(C(N)=O)c1 1748970984 ZCXYHOZBIHPBII-BGYRXZFFSA-N 482.585 2.282 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCNC(=O)C2CCC2)CC1 1749010677 PHTXKNXMNARXPK-UHFFFAOYSA-N 473.581 2.089 30 10 JEEE C#CCSCCn1c(-c2ccccc2Cl)nnc1N1CCC(NS(C)(=O)=O)CC1 1749029787 YDAOAUCLEYOKCF-UHFFFAOYSA-N 454.021 2.483 30 10 JEEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)NCCCC)CC1 1749083638 PBPSOGHABAZQPE-UHFFFAOYSA-N 455.401 2.458 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1749115245 OFKWTZXQQDARHI-IRFCIJBXSA-N 460.623 2.087 30 10 JEEE C=CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCCN1CCOCC1 1749484638 DNDGFJXZODYBAQ-UHFFFAOYSA-N 451.575 2.410 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCN2CCCC[C@@H]2C)C1 1749713659 WHYONRQYCQELKG-SLFFLAALSA-N 451.637 2.226 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1749721881 WDJDWQNHYPCYEU-QYWGDWMGSA-N 453.609 2.496 30 10 JEEE C#CCCCCn1c([C@@H]2CCOC2)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1760138356 WWIIXDWOLUDOQS-OAQYLSRUSA-N 457.600 2.238 30 10 JEEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1cccc(C(F)F)c1)[C@@H]1CCS(=O)(=O)C1 1760192549 VPSFOKFKFMMVMJ-GOSISDBHSA-N 477.537 2.013 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1CCc2ccccc2C1 1760205932 NDBCVJFENPRYLW-QFIPXVFZSA-N 465.623 2.090 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(N2CCSCC2)CCCCC1 1760206420 ZBDYGLVMANTNTC-FQEVSTJZSA-N 475.684 2.005 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCC(=O)NC1CC1 1760211102 ATUVKVDYPPDEIL-UHFFFAOYSA-N 481.626 2.068 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(OC)nc2ccccc12 1760218313 CUYUUJYVKJHLFK-GOSISDBHSA-N 463.563 2.248 30 10 JEEE C=CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCN(S(C)(=O)=O)CC1 1760440671 OFXKYMVYPIHOEZ-GOSISDBHSA-N 498.650 2.024 30 10 JEEE C=CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1CCN1CCCS1(=O)=O 1760457298 MOZVYFZMHKLCMH-UHFFFAOYSA-N 470.393 2.374 30 10 JEEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1760527522 ZOCXUFTXHIKLSY-KRWDZBQOSA-N 466.508 2.275 30 10 JEEE Cc1cc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(Cc2ccc(C#N)cc2)C2CC2)no1 1761683966 ASYHKWCWDAXGGP-OAHLLOKOSA-N 455.544 2.274 30 10 JEEE N#Cc1ccccc1S(=O)(=O)Nc1ccc(NC(=O)CCN2C(=O)c3ccccc3C2=O)cn1 1858280256 RNLMVUVFBURXFW-UHFFFAOYSA-N 475.486 2.379 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@H]2c2ccc(N(C)C)cc2)cc1OC 1862572313 CAFFGJGEKBKVDY-QFIPXVFZSA-N 467.522 2.484 30 10 JEEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccc([N+](=O)[O-])cc1 1862609210 HNRDGUIPCGZBAH-FQEVSTJZSA-N 467.434 2.080 30 10 JEEE C=CCOc1ccccc1[C@@H]1C(C(=O)NCCNC(C)=O)=C(N)Oc2c1c(CC)nn2CCC 1864327778 YKXMFSKRHYIHOS-FQEVSTJZSA-N 467.570 2.367 30 10 JEEE C=CCOc1ccccc1OCC(=O)Oc1cccc2c1C(=O)N(CCCNC(C)=O)C2=O 1865805965 NXJUMDYAPVTMLC-UHFFFAOYSA-N 452.463 2.358 30 10 JEEE COc1ccc(S(=O)(=O)CCC(=O)NC(C)(C)C(=O)Nc2cccc(C#N)c2)cc1OC 1866804400 MBUFJGMZPDRVIJ-UHFFFAOYSA-N 459.524 2.273 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)COc2cn(CCCN3CCCC3=O)c(C)cc2=O)nc1C 1870087718 FBLXXLBFGCGHKM-UHFFFAOYSA-N 488.566 2.294 30 10 JEEE COc1cc(-n2nnc(C#N)c2NC(=O)CCCN2C(=O)c3ccccc3C2=O)cc(OC)c1OC 1870143990 JVOPCSZQAKPOJZ-UHFFFAOYSA-N 490.476 2.180 30 10 JEEE C[C@H](c1ccccc1)N1C[C@@H](C(=O)Nc2c(C#N)nnn2-c2ccc(N3CCN(C)CC3)cc2)CC1=O 1870149753 OWZKXOJPGAMADH-CTNGQTDRSA-N 498.591 2.439 30 10 JEEE C=CCN(CC=C)c1nc(=NCCCCCO)[nH]c(=Nc2cc(OC)c(OC)c(OC)c2)[nH]1 1871565591 MYXJTSCOXYPMGB-UHFFFAOYSA-N 458.563 2.238 30 10 JEEE CCCCCCCCN=c1nc(N(CCO)CCO)[nH]c(=Nc2cc(OC)cc(OC)c2)[nH]1 1871687645 DXXGBZRQFKCERB-UHFFFAOYSA-N 462.595 2.040 30 10 JEEE COc1ccc(/C=N/Nc2cnn([C@@H]3CCS(=O)(=O)C3)c(=O)c2Cl)cc1Br 1873529697 XJVZUIKOJIIQCR-FQDFOOGXSA-N 475.752 2.473 30 10 JEEE COC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1cc(OC)ccc1OC 1874338656 ZSCNLYRBPNZVPH-WPZNHYQYSA-N 461.544 2.167 30 10 JEEE COC(=O)c1ccc(CSc2nnc(CNC(C)=O)n2/N=C/c2ccc(OC)cc2OC)o1 1874433205 NHTBZAFWLPRJRJ-AUEPDCJTSA-N 473.511 2.486 30 10 JEEE CCOc1ccc(/C=N/n2c(CNC(C)=O)nnc2SCC(=O)Nc2nccs2)cc1OC 1874433818 ZEZBFCYHXOMQPZ-AUEPDCJTSA-N 489.583 2.391 30 10 JEEE COc1ccc(OC)c(/C=N/n2c(CNC(C)=O)nnc2SCC(=O)NCc2ccccc2)c1 1874436068 KLLZDNJQNOYFRF-LGJNPRDNSA-N 482.566 2.222 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCO[C@H]1C(=O)NCCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2180983208 AYANQMUSCTZBMY-RBUKOAKNSA-N 460.380 2.327 30 10 JEEE CC1=C(B2OC(C)(C)C(C)(C)O2)CN(C(=O)[C@]2(NC(=O)OC(C)(C)C)CCS(=O)(=O)C2)CC1 2201803747 WOEFYBSIPPZJJS-QFIPXVFZSA-N 484.424 2.249 30 10 JEEE CC(C)(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 2230873948 QJYUGNNJCOFTML-NTDBWNAOSA-N 465.591 2.273 30 10 JEEE CN(C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)[C@H]1CC[C@@H]1NC(=O)OCc1ccccc1 2255648952 OWNDEMRIISFRAJ-OALUTQOASA-N 468.363 2.249 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCCCNC(=O)OC(C)(C)C 2255932723 DYKFUYDDILHLBK-UHFFFAOYSA-N 454.398 2.487 30 10 JEEE CN(C(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1)[C@]1(CNC(=O)OC(C)(C)C)CCOC1 2267175174 ZBDJTIUGVGGZFS-NRFANRHFSA-N 467.397 2.198 30 10 JEEE C=CC1(NC(=O)c2nn(C)c(Cl)c2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2267180594 GNMXRUJQJNOSSL-UHFFFAOYSA-N 466.775 2.278 30 10 JEEE Cc1nc(NC(=O)[C@H](NC(=O)OC(C)(C)C)C(F)(F)F)ncc1B1OC(C)(C)C(C)(C)O1 2268636038 YJHXDFAGYXWRTC-LBPRGKRZSA-N 460.262 2.478 30 10 JEEE Cc1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@H](CO)NC(=O)OC(C)(C)C 2270449260 WWKHEZULRDKRKO-CQSZACIVSA-N 452.332 2.049 30 10 JEEE Cc1c(C(=O)N(C)C[C@@H]2CCCN2C(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281795991 IYRJODYAPAAFCO-INIZCTEOSA-N 462.400 2.499 30 10 JEEE CC(C)(C)OC(=O)N1CC(CCO)(CNC(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2281936653 PSHNNDWUQWVZJM-UHFFFAOYSA-N 460.380 2.335 30 10 JEEE Cn1nc(C(=O)NCc2cncc(NC(=O)OC(C)(C)C)c2)cc1B1OC(C)(C)C(C)(C)O1 2281971217 ILXNVWUUGBVASR-UHFFFAOYSA-N 457.340 2.391 30 10 JEEE Cn1cc(C(=O)N2CCC[C@@]23CCN(C(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)n1 2281978979 AQXJQGYNOFXGIH-QHCPKHFHSA-N 460.384 2.335 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C[C@@]12CCOC2 2282193910 SIPOFPRRKOUQHS-WAIKUNEKSA-N 461.368 2.212 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC2(CNC(=O)OC(C)(C)C)COC2)c1 2282541665 BGWHTBZVBGBUNA-UHFFFAOYSA-N 462.352 2.018 30 10 JEEE CC(C)(C)OC(=O)N1CC2(CCC[C@H]2NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2282611955 BLUONQYJPCZDNV-MRXNPFEDSA-N 458.368 2.295 30 10 JEEE Cc1cnc(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)c(B2OC(C)(C)C(C)(C)O2)c1 2282649150 WYLMMXWONDZAOB-HXUWFJFHSA-N 451.376 2.320 30 10 JEEE CN(C(=O)OC(C)(C)C)c1ccc(NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)cn1 2282701507 XXAPSBYQVJKKNY-UHFFFAOYSA-N 458.328 2.133 30 10 JEEE CN(CC1(O)CN(C(=O)OC(C)(C)C)C1)C(=O)c1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2287312464 IOFBHJBEDNUKSL-UHFFFAOYSA-N 464.343 2.179 30 10 JEEE COc1cc([C@@H]2C(=C(O)c3ccncc3)C(=O)C(=O)N2CCCN(C)C)cc(OC)c1OC 2296088639 IZCBLOXLAIIALO-HXUWFJFHSA-N 455.511 2.481 30 10 JEEE COc1ccc(OC)c([C@@H]2C(=C(O)c3c(C)nn(C)c3C)C(=O)C(=O)N2CCCN(C)C)c1 2296613065 SWKFCJMAEMCTCR-OAQYLSRUSA-N 456.543 2.428 30 10 JEEE CCOc1cc(C=NNc2nc3c(c(=O)n(Cc4ccc(C)cc4)c(=O)n3C)n2C)ccc1O 2328610820 KSAUPOLRWMOXDH-UHFFFAOYSA-N 462.510 2.341 30 10 JEEE COc1cc(C=Nn2c(COCc3ccccc3)nnc2SCC(N)=O)cc(OC)c1OC 2329322785 NQXZQDWEGBIASN-UHFFFAOYSA-N 471.539 2.480 30 10 JEEE CC1=C(B2OC(C)(C)C(C)(C)O2)CN(C(=O)[C@@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C)CC1 2335454339 DBBKGYPQUBFXNL-MRXNPFEDSA-N 472.413 2.105 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H](C)N(C(=O)OC(C)(C)C)C[C@H]2C)n1C 2362493472 IUPMRJLXKCBWIM-CABCVRRESA-N 462.400 2.498 30 10 JEEE CC(C)(C)OC(=O)N1CCC(Oc2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)(C(N)=O)CC1 2371995775 FWBGFWNAIKPNLF-UHFFFAOYSA-N 465.331 2.154 30 10 JEEE CCN1CCN(C(=O)/C(C#N)=c2/s/c(=C/c3cccc(Cl)c3)c(=O)n2-c2ccc(F)cc2)CC1 97993604 BPTCPRQORCHWCR-WQVDJDJCSA-N 496.995 2.359 30 10 JEEE CN(C)S(=O)(=O)c1ccc(/C(O)=C2/C(=O)C(=O)N(CCN3CCCCC3)[C@H]2c2cccnc2)cc1 102436359 JWUSEUQQZRFVDJ-VFJWVMJUSA-N 498.605 2.240 30 10 JEEE C#CCNC(=O)c1ccc2oc(N3CCN(S(=O)(=O)c4cccc5cccnc45)CC3)nc2c1 247994746 LVZDQCXJVLVRAV-UHFFFAOYSA-N 475.530 2.250 30 10 JEEE C=CCN(C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1nc(C(=O)OCC)cs1 409829348 GYCOAJNYBQGBJE-UHFFFAOYSA-N 465.553 2.174 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)NCc3cccc(CN4CCC[C@H](C(N)=O)C4)c3)cc2C1=O 519398802 SOYZMBMRJTZVEM-FQEVSTJZSA-N 460.534 2.096 30 10 JEEE C#C[C@@]1(O)CCCN(C(=O)[C@H](CC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)C1 757466294 JOEKFRFQEDOADS-BKMJKUGQSA-N 462.502 2.355 30 10 JEEE CC(C)n1cc(C=NNc2nnc(SCCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2N)cn1 1084229939 YZQOJQPPZHEJEG-UHFFFAOYSA-N 458.508 2.244 30 10 JEEE C=C(Cl)CSc1nc(C)c(CC(=O)N[C@@H]2CCN(c3cc(=O)n(C)c(O)n3)C2)s1 1157313239 CYPGJFBXVFTIGF-GFCCVEGCSA-N 455.993 2.033 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1CCNS(=O)(=O)Cc1ccon1 1286277255 XMMCLJQUXMHNLQ-QGZVFWFLSA-N 479.566 2.367 30 10 JEEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(OCC)CCCC1)[C@@H]1CCS(=O)(=O)C1 1286384092 PICWOIBTYHXBEW-HYBUGGRVSA-N 494.658 2.295 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CC[C@@H](OC)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1286384487 RAHZPDCVYRZJGE-ZWKOTPCHSA-N 481.500 2.411 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CCCN(C(C)=O)C1 1286415852 RSWYTICXWNFMOX-NJYVYQBISA-N 468.602 2.380 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1C[C@H](C)O[C@@H](COC)C1 1286784812 UOOITWNMRFYADG-LSDHHAIUSA-N 464.364 2.250 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 1286790055 NIENMPCNFSHKKC-GOSISDBHSA-N 494.600 2.264 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2ccc(F)c(F)c2F)C1 1286800333 JSPVKXLYKDAOHM-DZGCQCFKSA-N 473.521 2.330 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2ccc(F)c(F)c2F)C1 1286800334 JSPVKXLYKDAOHM-HIFRSBDPSA-N 473.521 2.330 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CCNc2nccc(C(F)(F)F)n2)C1 1286813416 USKWCCPNCBNAOB-HNNXBMFYSA-N 480.495 2.103 30 10 JEEE COc1cccc([C@@H](NC(=O)CCn2cc(C#N)c(O)nc2=O)c2cc(F)ccc2OC)c1 1294454958 GNDSDYBMSFGZQD-OAQYLSRUSA-N 452.442 2.273 30 10 JEEE CCNC(=O)C1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@@H](CC(N)=O)C2)CCC1 1296267111 DPSKIOFEFOHSAC-IBGZPJMESA-N 479.585 2.127 30 10 JEEE C=CCONC(=O)c1cc(S(=O)(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)ccc1C 1297985696 XFIYKLWXGYNFOJ-UHFFFAOYSA-N 456.524 2.441 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Cl)n1CCCC(=O)NC1CC1)[C@@H]1CCS(=O)(=O)C1 1300488062 OKPGYSPZDPSGFE-QGZVFWFLSA-N 476.002 2.284 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(Br)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1300657215 HHPKMFAQTUDNPF-VZCXRCSSSA-N 499.369 2.320 30 10 JEEE C=C(Br)Cn1c([C@H]2CCOC2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1300848015 ACOZPYUKKRTNHE-ROUUACIJSA-N 481.439 2.214 30 10 JEEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1301459056 PAIHSPOFIUTNOK-KRWDZBQOSA-N 468.624 2.097 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(OC)c(OC)c2OC)C1 1301558420 VMNIQPZCJQVWQT-QZTJIDSGSA-N 492.598 2.036 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H]2CCCN2C[C@H]1C 1301576005 OWQPNRLRXWWZOU-VQIMIIECSA-N 460.560 2.127 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC(n2ccc(C(F)(F)F)n2)CC1 1301578458 BESVSAGOEPBBIU-UHFFFAOYSA-N 496.519 2.393 30 10 JEEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2ncc(F)cn2)CC1 1301617897 LIKRFVLMLDXAPG-UHFFFAOYSA-N 457.583 2.315 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1ccccc1CN1CCOCC1 1303384802 DJASZBIVHWHDNB-VWLOTQADSA-N 465.602 2.427 30 10 JEEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@H](OCCOC)C1 1358926810 CXKCCGDAFJRTPG-SFHVURJKSA-N 450.543 2.237 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC1C[C@H](C)O[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1358962757 WFQGHXSORPFCAZ-CMKODMSKSA-N 457.600 2.479 30 10 JEEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2CCCOC[C@H]2CCOC2)CC1 1359037155 XSMCRQOMYIZXJH-LJQANCHMSA-N 459.541 2.346 30 10 JEEE C=C(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1359117545 FVZPPHDSNRCWGO-INIZCTEOSA-N 456.522 2.061 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCOC1 1359259368 UMFNVPHRVBAVQM-LEWJYISDSA-N 475.615 2.230 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1359293612 VJMJEZGISJKQNR-INIZCTEOSA-N 475.391 2.314 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1359294229 OHOYCKGTWHRBTH-KRWDZBQOSA-N 481.557 2.415 30 10 JEEE C#C[C@H](NC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCO2)C1CCOCC1 1470311874 KJPVFYULJMODHW-IBGZPJMESA-N 456.520 2.417 30 10 JEEE CCc1nn(C)c(CC)c1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)NC)CC1 1498473654 FURCTGPCMBYYGS-UHFFFAOYSA-N 461.574 2.185 30 10 JEEE CNC(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2nccs2)C1 1503759325 BPJAKLSOVMSCAT-KRWDZBQOSA-N 451.556 2.390 30 10 JEEE COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CN(CC(C)C)CCO2)cc1OC 1504202186 DUFVEHWGFDQPFH-UXHICEINSA-N 470.574 2.048 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccnc(-n2cccn2)c1 1507523024 ZWZQUMVUEBRLSV-QGZVFWFLSA-N 461.551 2.436 30 10 JEEE C#CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)CCS(C)(=O)=O 1507583470 SEKCIQNODXJCAF-UHFFFAOYSA-N 456.572 2.130 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1oc(CCC)nc1C)[C@@H]1CCS(=O)(=O)C1 1507631598 QYLQYPXBHQMVQO-GOSISDBHSA-N 454.556 2.264 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCOc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1507636623 BMRQIAGSSGVXSD-WIYYLYMNSA-N 474.583 2.234 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1Cc1ccc(I)cc1 1507709908 DRBDDAAUABDULS-UHFFFAOYSA-N 476.322 2.418 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CC(C)(C)N2C[C@H](C)C[C@@H](C)C2)CC1 1507738652 UABFODIJTBANCX-WOJBJXKFSA-N 478.645 2.457 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(F)cc2)n1CCOCCS(C)(=O)=O 1507772788 ULNVMQOBJFENNE-OAQYLSRUSA-N 450.536 2.050 30 10 JEEE C=C(C)Cn1c(-c2cccc(Br)c2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1507823127 VPIDAYSAPSNMTG-UHFFFAOYSA-N 475.391 2.457 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1n[nH]c(C)n1 1508025881 UFDJUWWVYJNZDU-IBGZPJMESA-N 455.588 2.085 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1508096973 DSMDQZYDEDBQFE-WIYYLYMNSA-N 499.616 2.194 30 10 JEEE C=CCC(CC=C)C(=O)N1CCN(S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)CC1 1524035205 RXNOFNKQDYHVAQ-UHFFFAOYSA-N 453.948 2.272 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@]1(C)COCCO1 1539003977 RNKKRZNYPYMGQM-BXKMTCNYSA-N 450.543 2.499 30 10 JEEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2nc(C)cc(OCC)n2)CC1 1539132069 CDJYBWMQJPKMFL-UHFFFAOYSA-N 463.590 2.377 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1CC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1539204136 ZCJHKCMXMDVYJZ-QZTJIDSGSA-N 476.599 2.214 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCOc1cc(C)cc(C)c1)[C@@H]1CCS(=O)(=O)C1 1539231563 TYADMGLPWWFTCD-TZIWHRDSSA-N 458.584 2.452 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1CCc1ccc2c(c1)OCCO2 1539299350 IGQGBXQJNMTZNF-RUZDIDTESA-N 450.539 2.407 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccccc1OC(F)F 1539324053 OXGFPSMFZJCXGA-SFHVURJKSA-N 462.522 2.487 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(Cl)cc2)n1 1539423720 DJQVUOSADMWZKO-FQEVSTJZSA-N 467.961 2.414 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2oc(CCC)nc2C)CC1 1539489171 RGRMOWUTOGFMCQ-UHFFFAOYSA-N 478.601 2.403 30 10 JEEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1539579450 MLXGZNIZKFGLHB-INIZCTEOSA-N 493.410 2.151 30 10 JEEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@](O)(c2ccccc2F)C1 1539953019 NPYONHHBNNZCRG-HRAATJIYSA-N 451.568 2.482 30 10 JEEE C=CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1540069858 YPQPZZVKUWDSII-OAQYLSRUSA-N 492.628 2.240 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC(O)(c2ccccc2)CC1 1540901315 ZQNIKJOVLSWCQV-UHFFFAOYSA-N 455.584 2.372 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC1(C(N)=O)CCCC1 1541118598 DEGSXEAWDHYJRA-NRFANRHFSA-N 478.645 2.284 30 10 JEEE Cc1noc(C)c1[C@H](C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1543370189 HCGLCEIXDOWDJC-MRXNPFEDSA-N 477.573 2.418 30 10 JEEE COCCNC(=O)[C@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CCN1C(=O)c1ccoc1 1548371019 AFFPBCSMFACSGC-GOSISDBHSA-N 450.417 2.264 30 10 JEEE CNC(=O)N1CCC2(CC1)CN(c1ccc(C#N)c(C(F)(F)F)c1)C[C@H]2C(=O)NCCOC 1548379651 WVWURTFMOMYQNK-SFHVURJKSA-N 467.492 2.197 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ncc(CC)s2)c1 1587692621 GZMUBALPSJGXBL-KRWDZBQOSA-N 498.634 2.304 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCc1nc(C(C)(C)C)cs1)[C@H]1CCS(=O)(=O)C1 1588030435 VELYSFXXUZSOFA-INIZCTEOSA-N 492.671 2.040 30 10 JEEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1CC(C)(C)C1)[C@@H]1CCS(=O)(=O)C1 1588034080 AWGKLVHIAQVNDN-AUSIDOKSSA-N 464.632 2.382 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1Cc1cnn(CC)c1)[C@@H]1CCS(=O)(=O)C1 1588041596 YFBBGBUPWRBZOV-GOSISDBHSA-N 489.001 2.499 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@]1(C)CCCO1)[C@@H]1CCS(=O)(=O)C1 1588041638 YXZJAOKNDODVHB-JPYJTQIMSA-N 474.583 2.158 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1ccc(OC)cc1F)[C@H]1CCS(=O)(=O)C1 1588050825 VQYJCPSXJBEBJI-SFHVURJKSA-N 455.515 2.163 30 10 JEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1Cc1nc2cc(OC)ccc2n1C 1588159222 SNMBZECEYBFBOF-UHFFFAOYSA-N 473.562 2.286 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCOC[C@H]1OC 1588472989 JYOWWQUBNKHNKT-PZJWPPBQSA-N 455.534 2.345 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC2(CC)CCOCC2)CC1 1588891077 LEKZCDJIEGCPFM-AREMUKBSSA-N 487.645 2.491 30 10 JEEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(CC(=O)Nc2ccccc2CC)CC1 1589068986 GWZBVQLYGYNPFN-NRFANRHFSA-N 482.654 2.472 30 10 JEEE C=C(Br)Cn1c(COc2ccccc2F)nnc1N1CCN(C(=O)NC)CC1 1589449351 BMMQUARJBQYCCO-UHFFFAOYSA-N 453.316 2.366 30 10 JEEE C=CC[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)N(C)C)CC1)c1ccccc1 1594544004 GOOLKBONUHQNDV-FGZHOGPDSA-N 452.603 2.352 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1595529730 FOIWFCICMFTFBN-HXUWFJFHSA-N 476.585 2.174 30 10 JEEE C=CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1595850534 OXJOMUPWVWDHHN-APWZRJJASA-N 475.640 2.230 30 10 JEEE CC(=O)NC[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)C(C)(C)C)C1 1596539753 BQDLRFXCZDSAFO-IBGZPJMESA-N 451.575 2.332 30 10 JEEE C[C@H]1CN(CCCn2c(CN3CCCC3=O)nnc2N(C)Cc2cccc(C#N)c2)C[C@@H](C)O1 1612994580 AYZPNYZLQBLVPN-BGYRXZFFSA-N 465.602 2.408 30 10 JEEE CCOC1CC(O)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(CCOC(C)C)CC2)C1 1616566049 DFGJUSKSAMYCIV-UHFFFAOYSA-N 468.602 2.294 30 10 JEEE C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)NCC[C@@](O)(c2nccn2C)C(F)(F)F)cc1 1670762353 FOMICEWCTMMFRN-SJKOYZFVSA-N 459.450 2.068 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCN1CCOC(C)(C)C1 1689850997 KFIGUJXOXRFIFS-IBGZPJMESA-N 452.607 2.021 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2CC2(S(C)(=O)=O)CCCC2)c1 1689873841 YQACDQHGQHEUHO-UHFFFAOYSA-N 473.599 2.228 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C/C=C/c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1689978283 RDPVZNJWYQIQKO-OJLWIZQOSA-N 476.562 2.266 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1ccc(N(C)C)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1689989179 BUGKQLAVZHGMRG-WIYYLYMNSA-N 475.590 2.400 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@H](OC)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1689993377 BUNYJECTPVMPKR-MSOLQXFVSA-N 465.645 2.322 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H](C)N1CCC(C)CC1 1690006516 RHFVURYXGOOWLE-NRFANRHFSA-N 482.654 2.389 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1ccccc1)C1CC1 1690046759 GRHUAZRMVRVWNE-XZOQPEGZSA-N 481.622 2.268 30 10 JEEE C#CCN(CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC1([S@@](C)=O)CCC1 1690083007 WTWCSHUVTOZRAH-MGBGTMOVSA-N 468.671 2.404 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2CC(F)(F)C2(OC)CCOCC2)CC1 1690124994 YIHVVYCUBUQKDU-SFHVURJKSA-N 453.534 2.106 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2CCC(=O)NC(C)(C)C)CC1 1690152635 SFJLTWSHYKTWJW-UHFFFAOYSA-N 480.613 2.436 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1690242896 DVHYZJLJJBEACG-AZUAARDMSA-N 456.595 2.244 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccnc2)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1690243112 HKGFBYGYZCPSPD-ACRUOGEOSA-N 475.615 2.351 30 10 JEEE C=C(Cl)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1690330495 IMFMJPUBYLQLHL-MRXNPFEDSA-N 487.985 2.405 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1690661660 CQKKRTBDMJVHSJ-KBPBESRZSA-N 484.420 2.268 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1690683134 BWXGQLCQVMZTOO-UXHICEINSA-N 475.615 2.303 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCOC(C)(C)[C@@H]1C 1690720569 MLJUZVSCLQXWJI-INIZCTEOSA-N 462.572 2.321 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(c2ccnn2C)CC1 1690729515 OQPDUFKYFWNBCX-UHFFFAOYSA-N 495.609 2.447 30 10 JEEE C=CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCCN(S(C)(=O)=O)CC1 1690736265 YFHLFQVTDMEQKE-UHFFFAOYSA-N 489.465 2.427 30 10 JEEE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCc2ccco2)C1 1690782661 AYSHDINTIUFNEF-LJQANCHMSA-N 461.526 2.031 30 10 JEEE C#CCCCCn1c(COc2cccc(C)c2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1705520347 QXDBKBSSQXRDPH-UHFFFAOYSA-N 478.597 2.240 30 10 JEEE C#CCN(c1nnc(C)n1Cc1ccc(NC(=O)c2ccco2)cc1)[C@@H]1CCS(=O)(=O)C1 1705560338 FYPWOJOIMSWHHV-LJQANCHMSA-N 453.524 2.107 30 10 JEEE C#CCN(CC#C)c1nnc(COc2cccc(C)c2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1705585930 OHOZYYZGCGXDOW-GGAORHGYSA-N 481.622 2.443 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCN1CCOC[C@@H]1C 1705611942 TXHLYOWMJZWCSO-IBGZPJMESA-N 463.586 2.245 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1705696757 QEOJAAPMTPYXPT-NZQKXSOJSA-N 468.602 2.145 30 10 JEEE C=CC[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)NC)CC1)c1ccccc1 1705798562 VUBOFMSZZWUXSP-HXUWFJFHSA-N 451.575 2.222 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21)C(C)C 1705866948 CZDDHCAAPGLZJB-YPAWHYETSA-N 483.661 2.460 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC([C@@H]3CC3(F)F)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1705908706 UJDORFBSPNFUMF-LAUBAEHRSA-N 453.534 2.493 30 10 JEEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCO[C@H](C)C2)CCN1S(C)(=O)=O 1707983988 HJULDWBRNKXVHR-SCTDSRPQSA-N 458.588 2.102 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1722281022 XNFCDOASFKGCHY-ZYLNGJIFSA-N 468.602 2.445 30 10 JEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1C[C@@H]1NC(=O)CC1(C)C)[C@@H]1CCS(=O)(=O)C1 1722360095 RYRDSCIRQBCTNE-MSOLQXFVSA-N 476.002 2.140 30 10 JEEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1722404476 CAQOSPJTVCNWFW-RCZVLFRGSA-N 453.587 2.005 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCCN2CCCC[C@@H]2C)CC1 1722443156 DHUJLYYMQJLEKZ-LVXARBLLSA-N 486.661 2.161 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCc2cccc(C)n2)CC1 1722450221 ZXACTAOXAFTLSZ-UHFFFAOYSA-N 474.613 2.442 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CCCS(=O)(=O)C1 1722469168 VPPLBFHQAZTPCY-QIJUGHKUSA-N 450.605 2.136 30 10 JEEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1722534819 WZQOTYIUNINMKK-MRXNPFEDSA-N 452.481 2.361 30 10 JEEE C=CCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1722581302 SFNWMTUGEFCOFQ-CTNGQTDRSA-N 473.666 2.398 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1722725811 SQPZUBVWHBCVBS-UHFFFAOYSA-N 460.604 2.024 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(CCc2ccccc2)CC1 1722728960 UQOVFUGXMIQLSU-QFIPXVFZSA-N 473.643 2.138 30 10 JEEE C=CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1722734606 HUCNUDXQZBQPKR-QGZVFWFLSA-N 458.588 2.438 30 10 JEEE CSc1ccc(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@H](C)CC#N)cc1 1731073943 CFSCCGZCANTCOO-APWZRJJASA-N 478.644 2.314 30 10 JEEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CC=CCC1)[C@H]1CCS(=O)(=O)C1 1740619751 RDRXJDNODHUMHY-QUCCMNQESA-N 488.635 2.332 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H](c1cccs1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1740621921 QFUKOMUHGQFCAA-SJLPKXTDSA-N 458.613 2.264 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCCCO2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1740795009 MDPKJJYDSNPQTL-GOTSBHOMSA-N 476.666 2.344 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1740957007 YHRYGORATOEHBA-UHFFFAOYSA-N 471.909 2.242 30 10 JEEE C=CCNC(=O)Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CC(=O)N(C)C[C@H]1C 1740962950 UNMJMZGBNYIIQL-QGZVFWFLSA-N 474.993 2.221 30 10 JEEE CC(C)C(=O)NC[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N2CCOCC2)C1 1741281740 HGCIWHKVEKLVRR-NRFANRHFSA-N 493.612 2.054 30 10 JEEE CCN(CC)C(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1746034838 CREYPTGLZVCQDA-HXUWFJFHSA-N 472.615 2.479 30 10 JEEE COc1ccc(CCc2nnc(N3CCN(c4c(C#N)c(C)nn4C)CC3)n2CCC(C)(C)O)cc1 1748722803 BALFXLRYCIERCF-UHFFFAOYSA-N 492.628 2.473 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(Br)cc2)n1C[C@H]1CC(=O)N(CCOC)C1 1748833039 GVVODIMMGLEQTC-KRWDZBQOSA-N 470.371 2.275 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1749009630 DJOKPCAHCCDANK-FQEVSTJZSA-N 478.597 2.178 30 10 JEEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1749220968 VEWJSNGHPVSIIN-UHFFFAOYSA-N 469.634 2.401 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2Cc2nnn(C)n2)CC1 1749341326 DZGPUWAMOUHGBM-QGZVFWFLSA-N 457.583 2.367 30 10 JEEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCC[C@H](O)C1 1749597768 MIQMMCMVQWNUMQ-ROUUACIJSA-N 452.559 2.382 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 1749668739 DNHVCSBRSIIRIS-HZPDHXFCSA-N 460.604 2.416 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 1749730682 MVYXOUQRZZHJCH-AZUAARDMSA-N 461.636 2.009 30 10 JEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1CC[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1760191255 DLLKHXVYPUVBLX-NHCUHLMSSA-N 472.611 2.125 30 10 JEEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 1760197061 WAUREXRXLVNZPQ-BKMJKUGQSA-N 477.565 2.169 30 10 JEEE C#CCN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccccc1CN1CC[C@H](O)C1 1760227590 IOCGMUNTDDUWRD-JYFHCDHNSA-N 467.614 2.393 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccccc2C2OCCO2)CC1 1760251642 FKUZEZDNDIPLJA-UHFFFAOYSA-N 466.586 2.045 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCCc2ccc(OC)c(OCC)c2)CC1 1760252796 WDSPIHJOAWGLBF-UHFFFAOYSA-N 480.613 2.309 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCCS(=O)(=O)c2ccccc2)CC1 1760268439 JVZOLVDWKHQZLA-UHFFFAOYSA-N 480.594 2.103 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2Cc2cccc(OC)c2OC)CC1 1760269420 HZQWRSSAGNMZRI-FQEVSTJZSA-N 467.570 2.203 30 10 JEEE C=C(C)CN(CC)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1760340739 MHQOEKJFZFAXRJ-IBGZPJMESA-N 458.588 2.413 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N1CCS(=O)(=O)CC1 1760519055 QFRIGUNHPVJYOQ-UHFFFAOYSA-N 475.571 2.350 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](C)CNC(=O)OC(C)(C)C)C1 1760534327 VWNSLWOQSOXNAM-IRXDYDNUSA-N 450.584 2.358 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](C)CNC(=O)OC(C)(C)C)C1 1760534328 VWNSLWOQSOXNAM-SJORKVTESA-N 450.584 2.358 30 10 JEEE C=CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](C(=O)NC)C1 1760568823 UJDCFCXBFFYLCM-IRXDYDNUSA-N 480.635 2.221 30 10 JEEE CC(=O)N1CCC(Cn2c(-c3nn(C)c(=O)c4ccccc34)nnc2N(C)C[C@H](C)C#N)CC1 1760587327 DSMMZIUQRIZEHC-MRXNPFEDSA-N 462.558 2.046 30 10 JEEE CC[C@H](C)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1)OC 1763442012 CJFRJKOYDPJEGI-LAUBAEHRSA-N 462.558 2.465 30 10 JEEE COc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC(CC#N)CC2)c(OC)c1OC 1768663431 CXXWBYBQDHVBNA-QGZVFWFLSA-N 454.531 2.433 30 10 JEEE COC1CCN(C2(Cn3c(C(=O)NC(C)C)nnc3N3CC[C@](F)(C#N)C3)CCCC2)CC1 1769074247 IAIGUNLGSUGJLD-QFIPXVFZSA-N 461.586 2.282 30 10 JEEE CCOC(=O)c1c(NC(=O)C(=O)Nc2cccc(C#N)c2)sc(C(=O)OCCOC)c1C 1860748648 JQGFCZMBWCXWHZ-UHFFFAOYSA-N 459.480 2.485 30 10 JEEE O=C(O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CCN2CCOCC2)cc1 1862628823 HSKXZIVGMIXAMA-OAQYLSRUSA-N 480.473 2.024 30 10 JEEE COc1ccc(NC(=O)[C@@H](CO)NC(=O)C2CCN([C@H](C#N)c3cccs3)CC2)cc1OC 1866867306 OCJDAURWCMEDSJ-QZTJIDSGSA-N 472.567 2.158 30 10 JEEE CC(=O)Oc1ccc(C[C@@H](NC(=O)CC[C@H]2CCS(=O)(=O)C2)C(=O)Nc2ccccc2C#N)cc1 1866928226 ARORQFVFFDYBJM-WMZHIEFXSA-N 497.573 2.364 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)Cn2cnc3c(nnn3Cc3ccc(CC)cc3)c2=O)nc1C 1870103297 BHUAPPXBWPAMDM-UHFFFAOYSA-N 493.549 2.345 30 10 JEEE CC(C)c1ccccc1-n1nnc(C#N)c1NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1870155408 LJQVVYNYSSECJS-UHFFFAOYSA-N 459.422 2.405 30 10 JEEE CCCCCCCCn1cc(OCC(=O)NCCCO)c(=O)cc1CN1CCC(CO)CC1 1870356772 UZZACZOVUFBSRU-UHFFFAOYSA-N 465.635 2.291 30 10 JEEE C=CCn1cc(OCc2cc([N+](=O)[O-])cc3c2OCOC3)c(=O)cc1CN1CCN(C(C)=O)CC1 1870589835 KSSZBLDXHLKIQZ-UHFFFAOYSA-N 484.509 2.052 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCCc2ccc(OC)cc2)cn1CCN(C)C 1870643821 BVRSOLWVDWGYBL-UHFFFAOYSA-N 482.625 2.330 30 10 JEEE O=C1C[C@@H](c2nnc(SCCO)n2/N=C/c2ccc(O)cc2O)CN1Cc1ccccc1 1874209163 WQUQNTJLUOKPQI-UXHMZNKVSA-N 453.524 2.172 30 10 JEEE CCOc1cc(/C=N/n2c(CNC(C)=O)nnc2SCCCO)cc(Br)c1O 1874435272 WCAYCRFSBHIDAR-AWQFTUOYSA-N 472.365 2.138 30 10 JEEE COc1ccc([C@H]2[C@@H](C(=O)N3CCC(COc4nccnc4C#N)CC3)OCC(=O)N2C(C)C)cc1 1891580132 LCUMEVLETJXVSU-ZEQRLZLVSA-N 493.564 2.351 30 10 JEEE COC1CCN(C2CN(C(=O)[C@@H]3SCC(=O)N(C(C)C)[C@H]3c3ccc(C#N)cc3)C2)CC1 1892046557 RMSGPCIPAPYRIP-XZOQPEGZSA-N 456.612 2.273 30 10 JEEE C#CCN(C(=O)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1 2180120087 RAEZSKVTCWTMES-OFVILXPXSA-N 490.622 2.479 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@H]1C(=O)NCCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2180969756 YUDQUPJCHZDREI-RTBURBONSA-N 460.380 2.184 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2206613528 XGULOOMGNSAWNI-INIZCTEOSA-N 457.340 2.178 30 10 JEEE CN(C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCN(C(=O)OCc2ccccc2)C1 2255613107 AAXNNLOULWFGSG-SFHVURJKSA-N 468.363 2.202 30 10 JEEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)Nc1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)n1 2256623604 GBSOWFKJAPPADI-BXUZGUMPSA-N 455.748 2.247 30 10 JEEE Cc1cc(C(=O)N2C[C@@H](O)C[C@@H]2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2267160225 OMNNMSBQVNHUSW-CABCVRRESA-N 466.409 2.456 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1COC[C@@H]1NC(=O)c1cc(F)ccc1B1OC(C)(C)C(C)(C)O1 2267405427 ODUVGIZTKKSJLV-IRXDYDNUSA-N 450.316 2.147 30 10 JEEE C=C(CS(=O)(=O)NC[C@@]12CC[C@@](NC(=O)OC(C)(C)C)(CO1)C2)B1OC(C)(C)C(C)(C)O1 2267471318 RPXYKMZTKQFMCF-SFTDATJTSA-N 472.413 2.310 30 10 JEEE COC1(CCNC(=O)OC(C)(C)C)CN(C(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267483117 NVKLBZPAZSGKEF-UHFFFAOYSA-N 450.341 2.335 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)C1 2267539956 UYLVAOIJPJJUTA-CQSZACIVSA-N 467.397 2.056 30 10 JEEE Cn1cc(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)s2)nc1CNC(=O)OC(C)(C)C 2268651760 YCQHQMJLKPHGIG-UHFFFAOYSA-N 463.369 2.453 30 10 JEEE COC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2269698733 YUTUMFOUCDELJL-KRWDZBQOSA-N 452.332 2.281 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC2(CO)CN(C(=O)OC(C)(C)C)C2)c1 2282125958 DNKJWORBUQCFDZ-UHFFFAOYSA-N 460.380 2.253 30 10 JEEE Cc1nc(C(=O)NC[C@@H]2COCCN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2282140673 YHBFLQMKRQFLMX-HNNXBMFYSA-N 481.424 2.364 30 10 JEEE CO[C@@H]1CN(C(=O)c2cccc(F)c2B2OC(C)(C)C(C)(C)O2)C[C@H]1NC(=O)OC(C)(C)C 2282412295 NXYRVFXCTCTQAU-IAGOWNOFSA-N 464.343 2.489 30 10 JEEE Cc1c(C(=O)N2C[C@@H]3C[C@@H]3[C@H]2CNC(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282543848 CVJPFXOIZCTJOI-HRCADAONSA-N 460.384 2.013 30 10 JEEE Cc1c(C(=O)N2CCCC23CN(C(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282593931 XIHBHIJATPKCGV-UHFFFAOYSA-N 460.384 2.253 30 10 JEEE Cn1nc(C(=O)N[C@]23CCC[C@@H]2N(C(=O)OC(C)(C)C)CC3)cc1B1OC(C)(C)C(C)(C)O1 2282623254 DDDOBHXVUAFAHK-HJPURHCSSA-N 460.384 2.381 30 10 JEEE 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)cn1C 2282688134 PFABAFSHLUUCOC-DVOMOZLQSA-N 457.302 2.242 30 10 JEEE C[C@H]1CCN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282844659 HBROLVCSQZWLCW-INIZCTEOSA-N 481.424 2.401 30 10 JEEE CC(C)(C)OC(=O)NC(C)(C)[C@H](O)C(=O)N1Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C1 2284012746 YOSYKJUBPROGMI-GOSISDBHSA-N 460.380 2.492 30 10 JEEE Cc1csc(CNC(=O)[C@H](CCC(N)=O)NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2284122270 LVLGVQWPOWVPJX-AWEZNQCLSA-N 481.424 2.131 30 10 JEEE Cc1ccc(S(=O)(=O)N[C@@H](COCc2ccccc2)C(=O)O)c(B2OC(C)(C)C(C)(C)O2)c1 2284404664 YLBWWCSLXVYQAE-IBGZPJMESA-N 475.372 2.243 30 10 JEEE CN(C[C@@]1(O)CCCN(C(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)C1)C(=O)OC(C)(C)C 2286340376 XMEKRWUJGUMXLW-QFIPXVFZSA-N 481.424 2.276 30 10 JEEE N#Cc1ccc(N2CCC([C@@H]3CN(C(=O)c4cnccn4)C[C@@H]3C(N)=O)CC2)cc1C(F)(F)F 2297650908 WFDXFNCJQXKIMV-ROUUACIJSA-N 472.471 2.457 30 10 JEEE CC(C)(C)OC(=O)N1CC(OCCNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2315417780 AQAADXVUOBXFRI-UHFFFAOYSA-N 452.382 2.413 30 10 JEEE COc1cc(C=Nn2c(SCCCO)nnc2C2CC2)ccc1OCCN1CCOCC1 2320882149 PAZQPRVIOSUHNR-UHFFFAOYSA-N 461.588 2.232 30 10 JEEE COc1cccc(C=Nn2c(CNC(C)=O)nnc2SCC(=O)NCc2ccccc2)c1 2330794431 RHEWAIQVGBODGM-UHFFFAOYSA-N 452.540 2.214 30 10 JEEE CCN(C(=O)OC(C)(C)C)[C@H]1CCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)nc(C)n2C)C1 2362483873 VLGQRMFUCPXLSS-INIZCTEOSA-N 462.400 2.499 30 10 JEEE COc1nc(N2CCN(C(=O)OC(C)(C)C)[C@@H]3COC[C@@H]32)ccc1B1OC(C)(C)C(C)(C)O1 2365348669 TWOOGQAMLXTFTB-DLBZAZTESA-N 461.368 2.214 30 10 JEEE CC(C)(C)OC(=O)N1CC(c2c[nH][nH]c2=NC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C1 2380486763 BGNXIJLBYFOBJZ-UHFFFAOYSA-N 475.380 2.174 30 10 JEEE CC(C)C1=CC(=O)[C@H]([C@H]2[C@H](O)C[C@@]3(C)[C@@H]4CC=C5[C@@H](CC[C@@H](O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)C5(C)C)[C@]4(C)C(=O)C[C@]23C)CO1 238809586 WUJNUALYIOXABA-KIIBOTMMSA-N 762.934 2.173 30 10 JEEE C=CCNC(=O)CN1CCN([C@H]2CC(=O)N(c3ccc(Cl)cc3C(=O)c3ccccc3)C2=O)CC1 493506031 CFQYKBHXEMKFRN-QFIPXVFZSA-N 494.979 2.123 30 10 JEEE C[C@H](C(=O)N[C@@H]1CCNC[C@H]1C(=O)/C=C/c1ccc([N+](=O)[O-])s1)N1C(=O)c2ccccc2C1=O 585830731 CPGMXTFFJTXSNN-UMQWXKIGSA-N 482.518 2.018 30 10 JEEE C#CCN(C(=O)c1cccc(S(=O)(=O)N(CC)c2ccccc2)c1)[C@H]1CCS(=O)(=O)C1 729330633 GNULYOBVFBCCMP-FQEVSTJZSA-N 460.577 2.164 30 10 JEEE C#CCN(C(=O)c1cccc(S(=O)(=O)N2c3ccccc3C[C@H]2C)c1)[C@H]1CCS(=O)(=O)C1 729331437 OVZPMJZLTCTMEV-XLIONFOSSA-N 472.588 2.089 30 10 JEEE C[C@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2NN=C2C(=O)N(C)c3ccccc32)C[C@@H](C)O1 1083977267 RVKBJXOKBDTVHN-OKILXGFUSA-N 473.511 2.185 30 10 JEEE C=CC[C@]1(C(=O)NCC2(N3CCOCC3)CCN(C)CC2)CCCN1C(=O)OC(C)(C)C 1129720740 QTDFVOFZRBYBIX-XMMPIXPASA-N 450.624 2.245 30 10 JEEE Cc1cc(NC(=O)c2ccc(Cl)c(S(=O)(=O)NC[C@@H]3CCCO3)c2)nn1CCC#N 1137930825 CTIONMRKYPUDHZ-HNNXBMFYSA-N 451.936 2.468 30 10 JEEE COc1ccc(C(=O)N2CCC(NC(=O)COc3ccc(C#N)cc3OC)CC2)cc1OC 1146269551 DXMRJYIIUPMNBS-UHFFFAOYSA-N 453.495 2.384 30 10 JEEE N#Cc1cn(CCNC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)c(=O)nc1O 1167523404 BSQOIUJGIBFVAB-UHFFFAOYSA-N 458.453 2.171 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CCc2csc(C)n2)c1 1286310388 YAPMWNOJNYACCY-UHFFFAOYSA-N 465.583 2.480 30 10 JEEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC1([S@](C)=O)CCC1 1286369822 WNIKRPZAFGEYPJ-YTTGMZPUSA-N 452.584 2.436 30 10 JEEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CCc1sccc1C)[C@@H]1CCS(=O)(=O)C1 1286381228 FQUMVXPPUSWWQB-XMSQKQJNSA-N 478.640 2.170 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1CC[S@@](=O)CC)[C@H]1CCS(=O)(=O)C1 1286388333 NNLODLVXHXJWQD-DFYVNMARSA-N 485.031 2.002 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@]1(O)CCCC1(C)C 1286462857 YUGOPRXJEQAPAZ-RUZDIDTESA-N 464.570 2.219 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CCc2nnc(C)s2)CC1 1286490876 VSOKCWXOHSPUIV-UHFFFAOYSA-N 450.572 2.017 30 10 JEEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1286499678 UGIKAQMJVGEWFY-QGZVFWFLSA-N 483.598 2.009 30 10 JEEE C#CCSCCn1c(COc2ccc(F)cc2)nnc1N1CCN(c2cnn(C)c2)CC1 1286510459 SVGFTCXVGHJDNH-UHFFFAOYSA-N 455.563 2.423 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1286541157 HPPSPARWPSGHNL-CYBMUJFWSA-N 468.381 2.397 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2c(F)cccc2F)nnc1N(C)CC(=O)N1CCOCC1 1286559520 XEHFDHAOKJZUOF-SBUREZEXSA-N 475.540 2.423 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1286563146 CDGCKLCDMYZIGK-UTKZUKDTSA-N 479.578 2.059 30 10 JEEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1286602036 VNEQVGCGHGKBEE-UHFFFAOYSA-N 482.614 2.226 30 10 JEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1nc(O)c2sccc2n1 1286712205 UJIUGOYZWWQLHL-AWEZNQCLSA-N 478.600 2.120 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccc(OC(F)(F)F)cc1 1288825486 GHMSMLFEQMLVOP-PXAZEXFGSA-N 476.456 2.277 30 10 JEEE CC[C@@H](C)N(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1291764744 FZCHUPIEXYZTQV-WOJBJXKFSA-N 478.645 2.336 30 10 JEEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)NC(=O)OC(C)(C)C)CCO1 1299137374 FNAAZIQHQYPWSS-SFHVURJKSA-N 483.573 2.071 30 10 JEEE C#CCCCn1c(CCOc2ccccc2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1300419091 HECUOQNYKSJGPN-UHFFFAOYSA-N 464.614 2.448 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H]1C[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1300479328 LUXLQUOWRDMAEP-BJLQDIEVSA-N 455.584 2.430 30 10 JEEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cscc1C)[C@H]1CCS(=O)(=O)C1 1300481834 BWXWOGUJZLWQKP-SIKLNZKXSA-N 478.640 2.364 30 10 JEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCNC(=O)OC(C)(C)C 1300528567 ZPZREVHOIRMIFE-UHFFFAOYSA-N 485.614 2.226 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2CC2(NC(=O)OC(C)(C)C)COC2)CC1 1300701697 ZVVQEACPSJTUKC-UHFFFAOYSA-N 480.613 2.226 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(Br)cc3)n2C[C@]2(O)CCSC2)CC1 1300708289 QHEOAPNZRAKIPX-OAQYLSRUSA-N 492.443 2.243 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(OC(F)F)cc2)CC1 1300711083 SDRCAAKYRKEQMA-ICSRJNTNSA-N 461.513 2.407 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(CC(=O)NCC)CC1 1300868089 BWRONQTXYFJASI-CYFREDJKSA-N 498.628 2.202 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@H]1CCCc2c1cnn2C 1300871360 BOAATMAMXHIRRD-WQDJSCAQSA-N 477.635 2.117 30 10 JEEE C=C(Cl)Cn1c(-c2ccc(Br)cc2)nnc1N1CCN(CC(=O)NCCOC)CC1 1301023372 FCTSFGPDKTWZAP-UHFFFAOYSA-N 497.825 2.345 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2nccc(OC)n2)CC1 1301528389 ADPCLZVDFKNFLK-UHFFFAOYSA-N 492.584 2.155 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCC(NC(=O)C(C)C)CC1 1301576673 XSAGDVHXBUIVLK-UHFFFAOYSA-N 475.615 2.296 30 10 JEEE C#CCOc1ccccc1OS(=O)(=O)c1cc2c(cc1Br)n(C)c(=O)n2C 1309170971 SQLJPVXIQKIDES-UHFFFAOYSA-N 451.298 2.419 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1358869990 BYNAPOUJENTZBA-AOIWGVFYSA-N 458.586 2.001 30 10 JEEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1CC1(C(N)=O)CCOCC1 1358896896 OJPJEQZEXPROAF-HNNXBMFYSA-N 476.375 2.360 30 10 JEEE C#CCCCn1c(Cc2cccnc2)nnc1N1CCC(CC(=O)N2CCN(CC)CC2)CC1 1358931837 PUDDDEXJKXDCOU-UHFFFAOYSA-N 463.630 2.448 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@H]1CCOC[C@@H]1OC 1358976538 HSVNPNPRHJSCKG-UGKGYDQZSA-N 474.565 2.360 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(OC(F)(F)F)cc2)CC1 1359039991 DKJQANKKNQAHAR-UHFFFAOYSA-N 492.502 2.329 30 10 JEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](Oc2ccccc2)C1 1359049857 XGJOBWVDTAIKHA-IEBWSBKVSA-N 463.629 2.303 30 10 JEEE C=C(Br)Cn1c(-c2ccccc2F)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1359081132 PTJLTBZQARQGCD-OAHLLOKOSA-N 463.311 2.466 30 10 JEEE C=C(C)COCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(C)=O)C[C@@H]1C 1359132888 HPJQZYKPFHUCAN-AZUAARDMSA-N 492.621 2.236 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccnc2OCCC)C1 1359321792 LSEJRRJJKVQWBH-RBUKOAKNSA-N 461.588 2.194 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1359332529 ZTBLNTVBIHWBJM-VQTJNVASSA-N 477.635 2.245 30 10 JEEE CC(C)NC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1360288840 IEZIGPTZEWRNQT-SFHVURJKSA-N 453.547 2.445 30 10 JEEE Cc1ccc(C)c(OCc2nnc(N(C)C[C@@H](C)C#N)n2CCS(=O)(=O)N2CCSCC2)c1 1361145699 GOUNGNGEIGPXHF-SFHVURJKSA-N 492.671 2.448 30 10 JEEE N#Cc1cccc(NC(=O)C2CCN(C(=O)[C@H](O)[C@@H](O)c3nc4ccccc4s3)CC2)c1 1464692637 HLJWIEGLCQEOPT-WOJBJXKFSA-N 450.520 2.440 30 10 JEEE Cc1cccc([C@H](CNC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)N2CCOCC2)c1 1477283260 BTLBVXVSDRIESA-HBMCJLEFSA-N 457.575 2.427 30 10 JEEE CCC(CC)(Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@@H](C#N)C1)OC 1496564160 GYOZHOXWHIULMU-IBGZPJMESA-N 454.579 2.386 30 10 JEEE CCC(O)(CC)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1497422266 FWTAZKYMSBTMIZ-GOSISDBHSA-N 465.602 2.157 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccsc3)n2CCNC(=O)c2cc[nH]n2)c1 1507552840 UMIMWYLPWMWBCS-UHFFFAOYSA-N 488.577 2.140 30 10 JEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nc(C)c(C)s2)CC1 1507563779 IWNPAHCJDRYGJG-SFHVURJKSA-N 462.645 2.384 30 10 JEEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC1(COC)CCOCC1 1507621075 OUCXJDQNLWXPKO-UHFFFAOYSA-N 466.630 2.155 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1CC1(C)CC1)[C@H]1CCS(=O)(=O)C1 1507624584 BTZQXHBEKYKZRV-HNNXBMFYSA-N 466.405 2.473 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1CCOc1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 1507629536 NHCWDHMSPCTAJW-IBGZPJMESA-N 453.568 2.298 30 10 JEEE C#CCN(c1nnc(CN2CCCC2=O)n1CC(C)(C)c1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1507640577 TYFHAGMCKZRPIE-FQEVSTJZSA-N 487.601 2.144 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCOc1ncccc1F 1507662033 DAHQDGNPGMEPMA-UHFFFAOYSA-N 496.568 2.271 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C 1507666583 CNNDWHZMETUJKC-FHWLQOOXSA-N 454.575 2.338 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@H]1CCCCS1(=O)=O 1507671998 SPQQWEILJJNILK-GHTZIAJQSA-N 454.552 2.221 30 10 JEEE C#CCN(CC)c1nnc(-c2cn(C)c3ccccc23)n1CCNS(=O)(=O)Cc1ccon1 1507690423 YPGUSITZAPSLHH-UHFFFAOYSA-N 467.555 2.004 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCn1cc(C)cn1 1507701963 QKHBWQACLBPQFM-IBGZPJMESA-N 456.547 2.164 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCC(=O)Nc2ccccc2)CC1 1507736705 QJKFCVOVGCMQOL-UHFFFAOYSA-N 457.538 2.335 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC(NS(C)(=O)=O)CC1 1507744742 WCWNNFGTZGZGGI-UHFFFAOYSA-N 490.655 2.032 30 10 JEEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1cccs1 1507751869 SKDDFONATPBHLJ-DLBZAZTESA-N 481.669 2.380 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCN1C(=O)OC(C)(C)C 1507763569 CZTLZNHNEKCOGS-GSHUGGBRSA-N 480.635 2.280 30 10 JEEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](O)(c2ccc(F)cc2)C1 1507778270 CTDNPPAZWGWNHT-UGSOOPFHSA-N 488.383 2.034 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1507805210 OINKDDQCXAYYQL-RCZVLFRGSA-N 481.645 2.236 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@H]1C 1507810599 XLZWKSYDJIWEHA-FHJLPGHOSA-N 450.543 2.377 30 10 JEEE C=C(C)COCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1507841625 ZXNNFJCHFYLXIJ-UHFFFAOYSA-N 458.588 2.175 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CC=CCO1 1507995950 FESIWXULOFETMK-YLJYHZDGSA-N 456.572 2.298 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCO[C@@]2(CCOC2)C1 1508071947 CBPYCSLBXASJIK-KOSHJBKYSA-N 471.558 2.115 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1508144708 XQFPUIDBPNVVEB-SFHVURJKSA-N 452.621 2.386 30 10 JEEE CC[C@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1CCCN1C[C@H](C)O[C@H](C)C1 1513975330 HMDYEYKIXOLPCI-UEXGIBASSA-N 451.575 2.031 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CC2(COC)CCOCC2)c1 1539038118 LSAKNUKVAIERMQ-UHFFFAOYSA-N 494.596 2.014 30 10 JEEE C#CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@H](NC(=O)CC)C1 1539068213 PVESEMPOKCIMCX-SFHVURJKSA-N 461.570 2.491 30 10 JEEE C#CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1539118513 ACSOQFUEVFDQPS-WOJBJXKFSA-N 489.642 2.433 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H](C)COc1ccccc1OC)[C@H]1CCS(=O)(=O)C1 1539219790 FMHFFHKOLDETFE-AQNXPRMDSA-N 488.610 2.132 30 10 JEEE C#CCN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCN1CCN(C)C(C)(C)C1 1539340257 JVGNNKUGCJIQSG-UHFFFAOYSA-N 472.037 2.347 30 10 JEEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(Cc2cc(C)no2)CC1 1539526567 QTNZUAIOOMWKNS-UHFFFAOYSA-N 454.604 2.125 30 10 JEEE C=CCOc1ccc(Cn2c(-c3cnccn3)nnc2N2CCC(NS(=O)(=O)CC)CC2)cc1 1540878189 QRCUUVHIUCRBIP-UHFFFAOYSA-N 483.598 2.256 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1540899315 JVVJANHDOQLAEA-LJQANCHMSA-N 466.629 2.122 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCNC(=O)c1cccs1 1587580986 UDUQBBYIYCOTCY-MRXNPFEDSA-N 486.623 2.145 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCCn1cc(Br)cn1 1587641305 YWNRZKWXCYJDKP-LSDHHAIUSA-N 469.409 2.078 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@]1(O)CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1588034812 MBZFVLZPGUXOLW-AUSIDOKSSA-N 487.582 2.421 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1CCn1cc(Cl)cn1)[C@@H]1CCS(=O)(=O)C1 1588044693 AUADFWYYENUQDA-QGZVFWFLSA-N 474.974 2.131 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1ccc(COC)cc1)[C@H]1CCS(=O)(=O)C1 1588051110 ZRMIAGDVSIKSCQ-NRFANRHFSA-N 465.579 2.470 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H]1CCCO[C@@H]1C(C)C)[C@H]1CCS(=O)(=O)C1 1588064317 FZIVEOSZZZUODU-IEIRFRATSA-N 471.627 2.342 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2sccc2C)CC1 1588890507 APUNMLJLWYNOLH-HSZRJFAPSA-N 457.600 2.314 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC)n2C[C@@H]2C[C@H](F)CN2Cc2cccs2)CC1 1588947009 KAULJTJEHGFQTA-OALUTQOASA-N 458.607 2.480 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cnn(Cc2ccccc2)c1 1589664230 WBSVQARNDCBXBS-JOCHJYFZSA-N 499.641 2.307 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCNC(=O)c2ccc(C)c(F)c2)CC1 1594237203 NSCVMSZPJRGJGZ-IBGZPJMESA-N 475.590 2.460 30 10 JEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1C[C@H](OCC)C12CCC2 1594732778 IAMWYZXWUDZMLG-FHWLQOOXSA-N 467.636 2.361 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC[C@H](C(=O)OC)C1 1595516488 DNNUUMPPQYBBCS-KRWDZBQOSA-N 457.531 2.044 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(C)Cc3ccccc3C2)C1 1595674453 PUORCXGUOXNZMA-PXNSSMCTSA-N 459.616 2.475 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1595798469 POHABJBYGZUSFF-OAHLLOKOSA-N 464.510 2.121 30 10 JEEE C#CCN(C(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1)C1CCN(C(=O)OC(C)(C)C)CC1 1596141738 HUTLJCYJYIVNET-UHFFFAOYSA-N 458.515 2.494 30 10 JEEE CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N(C)CCCc2[nH]nc(N)c2C#N)c1 1596375416 GBBHLEKWHVSSED-UHFFFAOYSA-N 452.968 2.251 30 10 JEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc(CN2CCC[C@@H](C(N)=O)C2)c1 1628755425 WDSCULYCLPCNRV-NHCUHLMSSA-N 456.587 2.307 30 10 JEEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(C)ccc2SCC(F)(F)F)CC1 1667100061 WUZSXBQHVBHJOM-UHFFFAOYSA-N 450.508 2.267 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc(Cl)nc3)n2Cc2nncn2C)c1 1689870098 BLJCVWRCJAZVPE-UHFFFAOYSA-N 461.917 2.227 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H](OC)[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1689983706 FROIVEDTNMUUHK-MMOPVJDHSA-N 474.583 2.362 30 10 JEEE C#CCN(CC#C)c1nnc(COc2cc(C)ccc2C(C)C)n1CC1(O)CCS(=O)(=O)CC1 1690026890 PTCYQTZPGQZRFT-UHFFFAOYSA-N 484.622 2.301 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1690031649 SKUUDODYIBFZMY-GOSISDBHSA-N 489.502 2.042 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(=O)NC(C)(C)C 1690048399 IVQYOWGXGGLPFA-IBGZPJMESA-N 486.617 2.354 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H](C(C)C)N1CCOCC1 1690098529 LYWHNVFWBIZBOS-OAQYLSRUSA-N 469.586 2.159 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2Cc2ccc(C(=O)NCC)cc2)CC1 1690142123 ISOWJJKEGBFPHD-UHFFFAOYSA-N 471.565 2.104 30 10 JEEE C#CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1690172769 NVZKIKJHWIFMMF-HXUWFJFHSA-N 482.658 2.314 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(Cc2cccnc2)n1Cc1cccc(S(=O)(=O)NC)c1 1690208896 BQYUNMSBLSGOAV-HSZRJFAPSA-N 450.568 2.212 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(CCc2ccc(OC)cc2)n1CCN1CCN(C(C)=O)CC1 1690211046 RJVGCLIRAAQSNE-AREMUKBSSA-N 464.614 2.228 30 10 JEEE C=C(Br)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(CNC(C)=O)CC1 1690232218 DCIKEVVJJQCCAX-UHFFFAOYSA-N 450.385 2.401 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1690250997 NVZHNHBYKJSEAI-JTJYXVOQSA-N 498.676 2.158 30 10 JEEE C=CCC(C)(C)Cn1c(N2CCC([C@]3(C)NC(=O)NC3=O)CC2)nnc1[C@@]1(OCC)CCOC1 1690439745 OHTKWMSKNIASJM-BJKOFHAPSA-N 474.606 2.347 30 10 JEEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc(NC(C)=O)nc1 1690523278 YDCOHWWOAXWRDD-UHFFFAOYSA-N 454.560 2.262 30 10 JEEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1690627630 OAFOBWNDGONTGQ-UHFFFAOYSA-N 470.965 2.451 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](C)S[C@H](C)C1 1690672622 XWBYIGNNUOQNDD-IXDOHACOSA-N 480.635 2.219 30 10 JEEE CCOc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H](C)N1CCN(CC)CC1 1696174782 GATIXWQRDGJDQO-RTWAWAEBSA-N 483.617 2.011 30 10 JEEE COCc1nc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC(=O)N(C)C[C@H]2C)cs1 1697833425 DLPVJVUVJJYKME-OAHLLOKOSA-N 467.555 2.047 30 10 JEEE CS(=O)(=O)N1CCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](C(F)(F)F)C1 1698310250 FONMCTWFGKMPDE-SJORKVTESA-N 484.504 2.008 30 10 JEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H](c1cccs1)N1CCOCC1 1705532123 GQHNZEPFRNORMO-RTBURBONSA-N 477.656 2.165 30 10 JEEE C#CCCCn1c(CSc2ccccc2OC)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1705538867 BTVBMERSDAPWLW-UHFFFAOYSA-N 496.637 2.263 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCOC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1705561025 MVKVAIGBZRHEQA-HLLBOEOZSA-N 496.431 2.335 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1705562955 NMCBFKGDJQKLSL-QUCCMNQESA-N 489.642 2.318 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCCN1CCCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1705565131 GOSUFLBQOHCEKE-HKBOAZHASA-N 463.648 2.411 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(C)C)n1CCCN1CCC(O)CC1 1705619532 ULRDFSLOEXHWHS-UHFFFAOYSA-N 456.566 2.042 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC1 1705635565 CFGNMKPWFOZFJB-JOCHJYFZSA-N 484.048 2.296 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCCc2nccs2)CC1 1705642544 XJOROVSOZSARQV-UHFFFAOYSA-N 455.613 2.114 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(OCCC)cc2)CC1 1705648036 PKMUXMXSEBYHLG-OAQYLSRUSA-N 464.570 2.032 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2CC2CCN(C(C)=O)CC2)CC1 1705650851 AJZLPECACLTMQT-UHFFFAOYSA-N 496.587 2.221 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1705895319 BPPJAHMMOAHSSK-GOSISDBHSA-N 486.020 2.034 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 1705902285 AXOPKMZRFHPKOP-AZUAARDMSA-N 458.607 2.297 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CCCn2cc(Br)cn2)C1 1705928282 CULBXBFRKVCPQM-QGZVFWFLSA-N 478.395 2.231 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@H](C)O[C@@H](COC)C1 1705933710 PXFCIBFYAWLUJY-DOTOQJQBSA-N 485.006 2.448 30 10 JEEE Cc1ccc(SCc2nnc(N3CCO[C@@H](C#N)C3)n2CC2(CS(C)(=O)=O)CC2)cc1 1707567295 GXDCJCXXFIRMLL-KRWDZBQOSA-N 461.613 2.432 30 10 JEEE CN(Cc1cccc(C#N)c1)c1nnc(-c2ccc[nH]2)n1CCS(=O)(=O)N1CCSCC1 1711085267 BAMMCBOZYDTBRD-UHFFFAOYSA-N 471.612 2.160 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1CCC[C@@H]1OC)[C@H]1CCS(=O)(=O)C1 1722360621 VNWFCEQITYAPRZ-JLMWRMLUSA-N 488.610 2.404 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(Cl)c1C 1722414112 VVQSCLQNISOETA-GOSISDBHSA-N 451.980 2.081 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CC2(c3ccccc3C)CCOCC2)CC1 1722429490 MRCBUPZHYDVTOK-UHFFFAOYSA-N 464.614 2.228 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C)Cc2cccs2)CC1 1722448008 TYGFZLSBWMIJRQ-PKOBYXMFSA-N 489.667 2.086 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccccc2CC)nnc1N1CCN(S(C)(=O)=O)CC1 1722498785 DWKRWDZTIIJVDO-REWPJTCUSA-N 489.642 2.482 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccn2C)nnc1N1CCC(CNS(C)(=O)=O)CC1 1722509840 ZDWHSYAVHZEXLV-ICSRJNTNSA-N 462.620 2.030 30 10 JEEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2cccc(F)c2[C@H]1C 1722537855 RWWAZYRDFAAXOD-YLJYHZDGSA-N 493.605 2.467 30 10 JEEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 1722617631 LQGUYJLQQOYSNQ-DLBZAZTESA-N 453.609 2.497 30 10 JEEE C=CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1CC1(S(C)(=O)=O)CC1 1722678981 JYWJHKWJVIWVPS-UHFFFAOYSA-N 472.409 2.262 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1722729922 BBDHEGOSRKDERE-DEOSSOPVSA-N 489.642 2.067 30 10 JEEE CC(C)NC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1723650569 FGMDXPGYKIAKNC-UHFFFAOYSA-N 478.532 2.114 30 10 JEEE CCN(CC)[C@@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1728363376 CHJLWYCECYJWDZ-KRWDZBQOSA-N 459.620 2.065 30 10 JEEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@](C)(O)c2ccsc2)CC1 1730798894 HMHONIJDSPVOND-DEOSSOPVSA-N 482.610 2.466 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccccc2F)n1CCS(=O)(=O)N1CCSCC1 1740535284 OZCHMOABJUWORP-IRXDYDNUSA-N 481.619 2.394 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@]1(N(C)C)CCSC1 1740537228 BSKUPAPVHKRLBQ-AOMKIAJQSA-N 475.688 2.442 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CCCN1S(C)(=O)=O 1740555032 ZFKYPUKBAPTNQN-GUDVDZBRSA-N 494.662 2.275 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(C)(C)COCC)c1 1740564192 DRHVGZOKZZMFQN-LJQANCHMSA-N 487.626 2.299 30 10 JEEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CC=CCC1)[C@H]1CCS(=O)(=O)C1 1740619749 RDRXJDNODHUMHY-ICSRJNTNSA-N 488.635 2.332 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@H](C)COCc1ccccc1)[C@H]1CCS(=O)(=O)C1 1740621611 OCAIGPHXCVSOAQ-UGKGYDQZSA-N 482.610 2.158 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(C)(C)N2CCC(OC)CC2)CC1 1740697476 FZDDOOKLAKBPPU-UHFFFAOYSA-N 481.601 2.498 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CC[C@H](C(=O)N(C)c2ccccc2)C1 1740990988 LQZUSPGFECBRNW-PMACEKPBSA-N 487.626 2.262 30 10 JEEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 1740995793 XRMRSSYTOAFHKT-INIZCTEOSA-N 461.588 2.406 30 10 JEEE C=CCSCCn1c(N2CCC(N3CCNC3=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1741005377 XDXCVPHZOFMKEU-JOCHJYFZSA-N 464.636 2.232 30 10 JEEE CC1(C)CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCS(=O)(=O)CC2)CCS1 1742002023 ATIPVFKIYUCKJB-UHFFFAOYSA-N 461.613 2.088 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1748646511 AGGCBQJPMJOLKX-SWHJIRTISA-N 453.587 2.003 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1CCCOC(F)F)[C@H]1CCS(=O)(=O)C1 1748818891 HLLPHCVSGRAHMO-SFHVURJKSA-N 452.527 2.433 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H](C(C)C)N1CCCC1 1748830993 CRDMTYIIZRVRRF-QHCPKHFHSA-N 482.654 2.389 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCN(C)CCCC 1748858075 LNVYLHMLRWOJPI-HXUWFJFHSA-N 458.607 2.391 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1C[C@H]1CCCN(C(C)=O)C1 1748950784 OJRNALLPADSJIH-KRWDZBQOSA-N 477.407 2.391 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC2(C(N)=O)CCCC2)CC1 1749015780 MZPWCOIVIKHJFB-UHFFFAOYSA-N 492.624 2.485 30 10 JEEE C#CCSCCn1c(CC)nnc1N1C[C@H](NC(=O)OC(C)(C)C)C2(CCS(=O)(=O)CC2)C1 1749037320 AKNVQOMJCIQPKQ-KRWDZBQOSA-N 497.687 2.115 30 10 JEEE C#CCSCCn1c(Cc2ccccn2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1749039812 BZFXKTISAQIJFA-NZQKXSOJSA-N 481.670 2.009 30 10 JEEE C#CCSCCn1c(COc2ccc(Cl)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1749046738 DZURMEBVGPUIDV-KRWDZBQOSA-N 460.991 2.433 30 10 JEEE C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1749249808 RMXPPZPTDQKINL-UHFFFAOYSA-N 465.901 2.410 30 10 JEEE C=CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1C[C@]1(C)COCCO1 1749592626 RWFIYFRMMFVHSW-LJQANCHMSA-N 454.369 2.490 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1749650146 LKZISZQXXAIKPC-HXUWFJFHSA-N 481.601 2.190 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@H](NC(=O)CC)C1 1749680410 KSOLAEARANQQPJ-KRWDZBQOSA-N 460.966 2.308 30 10 JEEE C=CCOc1ccccc1Cn1c(N2CC(=O)N(C)[C@@H](C)C2)nnc1[C@@]1(OCC)CCOC1 1749689884 OCYBZOMIZKJWAD-MHECFPHRSA-N 455.559 2.210 30 10 JEEE Cc1nn(C)c(C)c1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1751821042 ALMCMFPBPUTZRD-FQEVSTJZSA-N 496.641 2.323 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1Cc1cnccc1OC)[C@H]1CCS(=O)(=O)C1 1760183423 OXNUHQPYKWJELG-IBGZPJMESA-N 467.551 2.032 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1ccc(OCCN(C)C)cc1)[C@H]1CCS(=O)(=O)C1 1760187312 UTXARDXPZXNCRF-NRFANRHFSA-N 487.670 2.482 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCN1CCCCCC1=O 1760216407 MNFRPGHHTXHSPM-UHFFFAOYSA-N 495.653 2.494 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@]2(OCC)CCOC2)n1CC(=O)NCC(F)(F)F 1760240462 RPPNJIHJBLWTPD-OAQYLSRUSA-N 483.466 2.388 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCCCn2ccnc2C)CC1 1760257221 REQVDCUNTPFQPV-DEOSSOPVSA-N 455.607 2.059 30 10 JEEE C#CCSCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1760274034 HCOVCOUGZHWWBL-HSZRJFAPSA-N 473.599 2.300 30 10 JEEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(Nc2cc(OCC)ncn2)CC1 1760346157 KPQFOASHLACHBK-INIZCTEOSA-N 461.592 2.026 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](C)N1CCOCC1 1760477680 HPVKHZOFAXTYEW-WIYYLYMNSA-N 454.575 2.151 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 1760520241 HIGFIBNXTRNOGN-UHFFFAOYSA-N 482.976 2.489 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1760551660 NVAFGSQDOMSRNU-NRFANRHFSA-N 450.561 2.222 30 10 JEEE C=CCS(=O)(=O)CCn1c(Nc2ccn(C)n2)nnc1C1CCN(C(=O)OC(C)(C)C)CC1 1760558776 ZMQLMMKBTFOJEZ-UHFFFAOYSA-N 479.607 2.471 30 10 JEEE CC[C@@H](C)N(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1763894120 APMZMZVDHHZIQR-NFBKMPQASA-N 478.645 2.290 30 10 JEEE CCCNC(=O)CCn1c(N2CCN(c3cccc(F)c3C#N)CC2)nnc1[C@]1(OCC)CCOC1 1764556414 AMBBGUJBDANTQU-VWLOTQADSA-N 499.591 2.184 30 10 JEEE CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1766688593 FQBFCNAOBUOFJN-VQTJNVASSA-N 459.572 2.404 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)Cn2cnc3c(nnn3Cc3ccccc3Cl)c2=O)nc1C 1870104596 ZHCPEUOWUAOTLP-UHFFFAOYSA-N 499.940 2.436 30 10 JEEE CCOc1c(/C=N/n2c(CNC(C)=O)nnc2SCC(=O)NCc2ccco2)cccc1OC 1874433758 WWIDCARXYCCYLO-OPEKNORGSA-N 486.554 2.205 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1CNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2247906410 ZFNYBQJYXWPIBS-TZMCWYRMSA-N 458.411 2.239 30 10 JEEE Cn1nc(C(=O)NC[C@@H]2C[C@H]2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2255819447 ATNMTYXUYDXNAI-NWDGAFQWSA-N 454.764 2.016 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CN(C(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)CCO1 2267001283 JEIINKUSDWKSSC-ZFWWWQNUSA-N 467.397 2.197 30 10 JEEE CCc1nn(C)c(C(=O)NCC[C@H](C)NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267133585 DJMUZAYXYZVZPB-AWEZNQCLSA-N 450.389 2.315 30 10 JEEE Cc1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2CO)sc1B1OC(C)(C)C(C)(C)O1 2267231349 AZJLKRXZGKJRAE-HNNXBMFYSA-N 466.409 2.410 30 10 JEEE CN(C[C@H]1COCCN1C(=O)OC(C)(C)C)C(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2267485709 HLTKKBFPGYBQQH-AWEZNQCLSA-N 467.397 2.150 30 10 JEEE C[C@@H](c1nscc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)[C@H](CO)CNC(=O)OC(C)(C)C 2268717749 YWVPYJZKOJUECX-KBPBESRZSA-N 469.413 2.095 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@]2(C(=O)N=c3nc(B4OC(C)(C)C(C)(C)O4)[nH]s3)C[C@H]2C1 2268720313 SPZCXTPYFJHYIU-ZSEKCTLFSA-N 464.397 2.235 30 10 JEEE Cc1cc(CNC(=O)C2(O)CC(NC(=O)OC(C)(C)C)C2)sc1B1OC(C)(C)C(C)(C)O1 2268786594 QCDDFJZHOLAFLH-UHFFFAOYSA-N 466.409 2.390 30 10 JEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1c(F)cccc1B1OC(C)(C)C(C)(C)O1 2281769143 ABXIOTVLTFWDCF-DLBZAZTESA-N 464.343 2.489 30 10 JEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1C[C@H](NC(=O)OC(C)(C)C)[C@H]2COC[C@@H]21 2281803625 ZVALNGWPXNRFDG-IKGGRYGDSA-N 462.352 2.251 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@@]2(CNC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C1 2281995612 FKDJNBAOHCVIMA-FPTDNZKUSA-N 479.408 2.198 30 10 JEEE C[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)CN1S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282355065 YFCMGIQKEJZKQQ-NVXWUHKLSA-N 481.424 2.447 30 10 JEEE CCc1nn(C)c(C(=O)N[C@H]2C[C@H](C)N(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2282560182 TUYAUDSZMTUKEC-GJZGRUSLSA-N 462.400 2.409 30 10 JEEE Cc1ccnc(C(=O)NCCCOCCNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2282573660 DIEPNXHKMVCFDD-UHFFFAOYSA-N 463.384 2.350 30 10 JEEE Cn1cc(C(=O)NC[C@H]2CCN(C(=O)OC(C)(C)C)C2(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2282588138 SAGSWBZWYCXSJQ-OAHLLOKOSA-N 462.400 2.485 30 10 JEEE Cc1cc(S(=O)(=O)N2C[C@@H]3C(NC(=O)OC(C)(C)C)[C@H]3C2)ccc1B1OC(C)(C)C(C)(C)O1 2282832229 LTOKKCWEVIQFBZ-IRXDYDNUSA-N 478.420 2.438 30 10 JEEE CN(Cc1ccccc1)C1CCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)nn2C)CC1 2282853379 BYPASAOOJXZNBQ-UHFFFAOYSA-N 474.436 2.004 30 10 JEEE Cc1ccc(S(=O)(=O)N[C@H](COCc2ccccc2)C(=O)O)c(B2OC(C)(C)C(C)(C)O2)c1 2284406449 YLBWWCSLXVYQAE-LJQANCHMSA-N 475.372 2.243 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H]3C[C@]3(CNC(=O)OC(C)(C)C)C2)n1 2288261548 UASQBMXMACUQDV-CMJOXMDJSA-N 460.384 2.189 30 10 JEEE COC(=O)c1[nH]c(C)c(C(O)=C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccccc2F)c1C 2296925703 VXGLJBKMSSYWCE-NRFANRHFSA-N 485.512 2.311 30 10 JEEE COc1ccc(Cc2nnc(SCC(N)=O)n2N=Cc2cc(OC)c(O)c(OC)c2)cc1OC 2326736231 VGXVYHPXYGVFBQ-UHFFFAOYSA-N 487.538 2.069 30 10 JEEE COc1[nH]c(=NC[C@H]2CO[C@@H](CNC(=O)OC(C)(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2365346588 WDKHPFWXDNKBOH-JKSUJKDBSA-N 463.384 2.153 30 10 JEEE C=CCn1c(SCC(=O)Nc2nnc(SCC(N)=O)s2)nnc1-c1cccc(OC)c1 59808276 FLCWLUHTNCDDQV-UHFFFAOYSA-N 477.597 2.299 30 10 JEEE C=CCN(C(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1O)[C@H]1CCS(=O)(=O)C1 1136358333 NBRKFOLAGDQXOL-AWEZNQCLSA-N 456.567 2.070 30 10 JEEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N2CC[C@@H](O)[C@@H](O)C2)ccc1Cl 1151838817 PRSHKISAYPNLFK-MOPGFXCFSA-N 450.944 2.289 30 10 JEEE C=CCOC[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@@H](C)C2)c1)C(=O)OC 1155779368 KXBLEVFPWQKCAA-RHSMWYFYSA-N 458.964 2.235 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC[C@H](C(F)F)N1CCOCC1 1286285888 RGEFGFYQZVJQSP-SJLPKXTDSA-N 495.600 2.052 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H](c1ccsc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1286386534 CFKLUCFTTOBXCM-VQTJNVASSA-N 470.624 2.331 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H](c1ccc(F)cc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1286386821 HYBOHBYWPOLZCY-UNMCSNQZSA-N 482.585 2.409 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1CCN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1286397566 SRJRJLKIMXNRET-IBGZPJMESA-N 475.590 2.109 30 10 JEEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1OC1CCCC1 1286397920 RHQDQPVJFXYEAR-SFHVURJKSA-N 455.584 2.331 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1CCCCn1cc(Br)cn1 1286398113 GNMNMOQOBIZGJQ-UHFFFAOYSA-N 458.364 2.026 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@@H]1CCS(=O)(=O)C1 1286405034 ZAYIEGALLAMPFO-SFHVURJKSA-N 456.568 2.248 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCOCC1CCOCC1 1286408059 ABUPCLIGPKNWMU-UHFFFAOYSA-N 474.565 2.098 30 10 JEEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@H]2CCOC[C@H]2OC)CC1 1286485097 UWTFUZQTLMIKDJ-FYYLOGMGSA-N 453.587 2.281 30 10 JEEE C#CCSCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1286500508 VKRZUKLKMOGAOK-GOSISDBHSA-N 499.666 2.467 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](OC)c2ccccc2)CC1 1286646954 YKUBNJZIHKGGBU-UXHICEINSA-N 461.588 2.155 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 1286783094 GRBQVTJVNLNIIF-UHFFFAOYSA-N 466.502 2.202 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1286793928 PXMIBMJUCHSOTF-UYAOXDASSA-N 493.674 2.437 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@]2(CCSC2)C1 1286814521 BCHFNNCCUIPLCV-OAQYLSRUSA-N 496.680 2.283 30 10 JEEE C[C@@H]1CCCN([C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCCN(S(C)(=O)=O)CC2)C1 1291105307 HJJSWVVXDHSOQL-WOJBJXKFSA-N 485.658 2.409 30 10 JEEE CCCN1CCC(N(C)c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2COCCO2)CC1 1294691870 CEYRDZRTYUHLBR-QFIPXVFZSA-N 454.575 2.455 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2CC2(S(C)(=O)=O)CCCC2)c1 1300334146 ICMHAKDBQFEXCA-IBGZPJMESA-N 485.610 2.196 30 10 JEEE C#CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCOCCS(C)(=O)=O 1300438636 PVSGRFALFDZALI-UHFFFAOYSA-N 455.584 2.483 30 10 JEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)Nc1ccc(F)cc1 1300466108 ULESGNQXBZLPTF-SFHVURJKSA-N 472.521 2.434 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2ccnc(SCC)c2)CC1 1300719968 XVEPXDWAGFGVQO-UHFFFAOYSA-N 462.583 2.256 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N1CCC(C(=O)NCCCOC)CC1 1300895424 RUHXMUQXUJXYNF-NJDAHSKKSA-N 461.607 2.480 30 10 JEEE C=C(C)COCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCO[C@H](COC)C1 1300990248 CWTAFFZQEGXXGM-SFHVURJKSA-N 468.558 2.119 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1301481752 OUGSBDLENCYZIO-SFHVURJKSA-N 490.543 2.453 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N(C)Cc1ncnn1CC(F)F 1301492882 QORSWDHZLVMSEK-UHFFFAOYSA-N 467.484 2.289 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1301586617 OHXCLZCZEXPCJD-DOTOQJQBSA-N 498.531 2.273 30 10 JEEE N#Cc1cccc(-c2nnc(N3CCN(c4ccc(C(N)=O)cn4)CC3)n2CC(F)(F)F)c1 1316529580 ARMRMXBGDANGCL-UHFFFAOYSA-N 456.432 2.200 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1358894850 YIHCCMXXEFNSHR-SJLPKXTDSA-N 461.492 2.238 30 10 JEEE C#CCCCn1c(N2CC[C@H](S(C)(=O)=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1358935580 NKZXKBOQQJGCGR-BBWFWOEESA-N 451.593 2.086 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCC[C@H]1CC)[C@@H]1CCS(=O)(=O)C1 1358955241 IGBMGBNWYGGNGC-CEXWTWQISA-N 470.599 2.378 30 10 JEEE C#CCN(c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC(C)(C)OC)[C@H]1CCS(=O)(=O)C1 1358957347 SVCBCDJIOGKWTH-SFHVURJKSA-N 468.583 2.387 30 10 JEEE C#CCN(c1nnc(-c2nnc(O)c3ccccc23)n1CCOCCCC)[C@H]1CCS(=O)(=O)C1 1358961610 BXQHYEOWGVRKBH-KRWDZBQOSA-N 484.582 2.037 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@](C)(O)[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1358964797 HOCUDLDITLTSEA-YWMUFLPLSA-N 465.645 2.058 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(OC)cc(OC)c2)n1Cc1ccc(-n2cncn2)nc1 1358987823 UMSYTOUCJJPGDC-UHFFFAOYSA-N 468.521 2.449 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@@H]2CCOC[C@H]2C)CC1 1359031383 ZVVPYPVGPOXKBP-MOPGFXCFSA-N 469.586 2.399 30 10 JEEE C#CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@@]2(CCOC2)C1 1359050485 RZPJUXFEHPSGIW-IBGZPJMESA-N 466.405 2.408 30 10 JEEE C#CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](C(=O)OC)C1 1359058028 QOKOEDNIESKCGD-ROUUACIJSA-N 493.630 2.342 30 10 JEEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1359077440 CHVVVJYJGQHCOI-ZWKOTPCHSA-N 499.454 2.044 30 10 JEEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(OCC(F)(F)F)nc1 1359240413 NTFQOEJLMACEBS-HNNXBMFYSA-N 459.494 2.381 30 10 JEEE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3ccc(C#N)cc3)n2CCCNC(=O)C2CCC2)C1 1359357835 OEZXAHVSIJYMPS-FQEVSTJZSA-N 463.586 2.428 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCC2(n3cc(Br)cn3)CC2)s1 1455534859 YKSXLALBIWZPOE-UHFFFAOYSA-N 459.391 2.019 30 10 JEEE CC(C)[C@@H](C#N)N1CCN(C(=O)c2ccc(S(=O)(=O)N(C)C)c(Br)c2)CC1 1464747052 HBXLOEGVABKQGF-MRXNPFEDSA-N 457.394 2.005 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1Cc1ncn(C)n1 1496872171 DVNRAGLMSHEZSB-UHFFFAOYSA-N 477.573 2.293 30 10 JEEE CN(C)S(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](OCC2CC2)C1 1503406193 DPLOPFMAYIRTHJ-FQEVSTJZSA-N 458.588 2.104 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2CC(=O)NC2CCCCC2)c1 1507552471 PCXRLPMKTJMFQC-UHFFFAOYSA-N 452.559 2.320 30 10 JEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cccnc1OCC(F)F 1507608818 SJTMADWQTZVTJS-UHFFFAOYSA-N 475.525 2.395 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1ccc(F)cc1F)[C@H]1CCS(=O)(=O)C1 1507631391 DBQLZISPKDPDLQ-PKOBYXMFSA-N 450.511 2.473 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCc1sccc1C)[C@H]1CCS(=O)(=O)C1 1507638926 HXFXFAWHAQXTSS-IBGZPJMESA-N 472.640 2.379 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCOc1ccc(Cl)cn1 1507648576 PMPUORDZMDAVCZ-UHFFFAOYSA-N 473.924 2.392 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H](C)N1CCOCC1 1507658170 FLICHQFLGQNBGG-LJQANCHMSA-N 468.989 2.045 30 10 JEEE C#CCN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1507679068 QUQJSRUTCNDYGS-SANMLTNESA-N 481.645 2.363 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC(=O)N2CCOCC2)CC1 1507734119 HDFUBGHGSKMSMM-UHFFFAOYSA-N 492.624 2.067 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCc2nc(C)c(C)s2)CC1 1507736825 UBTNTTHHHJCGCG-DEOSSOPVSA-N 486.642 2.212 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CC2CCN(c3ccncc3)CC2)CC1 1507741709 YZZPHUVOHSEHRX-UHFFFAOYSA-N 465.602 2.092 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2Cc2ccc(NC(C)=O)cc2)CC1 1507742183 CGMDZCPACNUNIA-UHFFFAOYSA-N 471.565 2.236 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H]2CCOC[C@H]2OC)CC1 1507742997 UZIUXGLGBNMYCA-XMSQKQJNSA-N 487.551 2.164 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)CC2CCCCC2)CC1 1507752375 ZQVIUTMFBKPLSS-FQEVSTJZSA-N 493.699 2.166 30 10 JEEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(CC(=O)NC(C)C)CC1 1507754489 WGXMLSLLEBPPCW-UHFFFAOYSA-N 476.597 2.160 30 10 JEEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(c2ccnc(C)n2)CC1 1507779589 PJOABNLYDSLJQS-OAHLLOKOSA-N 466.384 2.336 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccc2OC)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1507804087 JVESHTLIDXGQOJ-JQVVWYNYSA-N 460.600 2.482 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(OC(F)F)c1 1507832101 MZFDNZPKTGRJNV-QGZVFWFLSA-N 471.530 2.425 30 10 JEEE C=CCCOCCn1c(-c2ccc(C)o2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1507959987 USOVTWRWQBVVOK-UHFFFAOYSA-N 451.531 2.260 30 10 JEEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CC1CCN(CC(F)(F)F)CC1 1508037076 UVPQXYHRLSPNTC-UHFFFAOYSA-N 458.529 2.427 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cn(C)c3ccccc23)nnc1N1C[C@H](C)O[C@H](COC)C1 1508137732 QOHYFNOBPCAZAE-ROUUACIJSA-N 473.599 2.278 30 10 JEEE CCO[C@@]1(c2nnc(N(C)Cc3ccc(C#N)cc3)n2C[C@H](C)CN2CCOCC2)CCOC1 1516130613 ACOWSDJIVDXUBY-NLFFAJNJSA-N 468.602 2.407 30 10 JEEE C#CC[C@@]1(C(=O)NCCNS(=O)(=O)c2ccc(C)s2)CCCN1C(=O)OC(C)(C)C 1527441016 FFDWBVBXFGIGAB-FQEVSTJZSA-N 455.602 2.244 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1(O)CCN(C(C)C)CC1 1539003002 KFAJDQIHSLRDII-IBGZPJMESA-N 477.613 2.368 30 10 JEEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1539153884 BXZRCRMWZPLPSL-MRXNPFEDSA-N 476.606 2.464 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1CCc1ccc(Br)cc1)[C@@H]1CCS(=O)(=O)C1 1539220275 HUUAFVHFPCOKNQ-PKOBYXMFSA-N 493.427 2.414 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1ccc(F)cc1F)[C@H]1CCS(=O)(=O)C1 1539222207 UNNLFBMMVSQIBS-AEFFLSMTSA-N 450.511 2.125 30 10 JEEE C#CCN(c1nnc(CC2CCCC2)n1CCC(=O)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 1539224063 CIQRUDUOOSAEEV-FQEVSTJZSA-N 461.632 2.040 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H](C)COc1ccccc1OC)[C@@H]1CCS(=O)(=O)C1 1539231029 NRZMWENUGHSBGH-NNMXDRDESA-N 488.610 2.480 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1539430237 IAKXXDAZRQPTBT-BKSPAHHJSA-N 453.587 2.330 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(CC(=O)N(C)C)CC1 1539613059 TYGSOPCFLDKAFO-PZJWPPBQSA-N 458.607 2.190 30 10 JEEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1539722396 NDHSYBFUYGMTKG-KRWDZBQOSA-N 450.584 2.455 30 10 JEEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(N(C)C)CCC1 1540198262 GJBRUPHGQBBZKA-UHFFFAOYSA-N 451.575 2.315 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cc(Cl)ccc2OC)C1 1540882202 DJFQQIJYTRYAFI-WMLDXEAASA-N 469.995 2.380 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)CC2CCCCC2)CC1 1540900715 FNFHVJKBUNVPIL-UHFFFAOYSA-N 474.631 2.493 30 10 JEEE CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(OC(C)C)nc2)CCO1 1541071984 CZOXJYDIOFMEII-JOCHJYFZSA-N 475.553 2.389 30 10 JEEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccnc(SC)c2)C1 1547780252 HQFRCLCFWXOJFJ-IBGZPJMESA-N 483.623 2.500 30 10 JEEE CC(=O)c1cccc(S(=O)(=O)NCC(=O)N2CCC(B3OC(C)(C)C(C)(C)O3)CC2)c1 1558163969 OQQUVBIIPJPKQF-UHFFFAOYSA-N 450.366 2.252 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1CCOCCS(C)(=O)=O 1587575083 PWXAIUQADXJHRD-CQSZACIVSA-N 455.378 2.227 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1CCOC(C)C)[C@@H]1CCS(=O)(=O)C1 1588040570 OPGQYWDXVHNHKD-QGZVFWFLSA-N 462.572 2.014 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(C#N)cc2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1588105113 LSWYSELYAQTYLR-UHFFFAOYSA-N 455.522 2.144 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1Cc1cccn(CC)c1=O 1588128137 DNJBLLFLVZHUJN-UHFFFAOYSA-N 481.560 2.368 30 10 JEEE C=C(C)COCCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1593718438 YHODFXMAUYHRKY-QGZVFWFLSA-N 450.561 2.178 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H]1c1ccccc1OC 1595753916 KPMWEVCVOBKGQO-IBGZPJMESA-N 473.599 2.465 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1Cc1ccc(OC)nc1 1613585306 AOSOTZALEXNJQK-UHFFFAOYSA-N 489.584 2.242 30 10 JEEE CCO[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1616593183 AONSGZILYJSLEA-UYAOXDASSA-N 458.588 2.104 30 10 JEEE COCCN(CCC#N)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCSC1 1619911673 CEPNQWVLDHKQHP-MRXNPFEDSA-N 453.572 2.312 30 10 JEEE C#Cc1cccc(NC(=O)NC(=O)CN2CCC(OC3CN(C(=O)OC(C)(C)C)C3)CC2)c1 1654968367 IIYPBHNWHSVDFK-UHFFFAOYSA-N 456.543 2.416 30 10 JEEE C#CCNC(=O)C1CCN(C(=O)NCc2ccccc2NS(=O)(=O)c2ccccc2)CC1 1676799368 CCNQJHMRCZNYNH-UHFFFAOYSA-N 454.552 2.158 30 10 JEEE C#CCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1689880294 XWQPUGAYHHLAPU-IBGZPJMESA-N 465.514 2.423 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCN1CCC)[C@H]1CCS(=O)(=O)C1 1689982418 MWAMGOWPOIGGOF-VXKWHMMOSA-N 466.611 2.318 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H](OC)[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1689983704 FROIVEDTNMUUHK-CDXJDZJCSA-N 474.583 2.362 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1ccc(C(N)=O)nc1 1690045675 OZGFAYDFFVBEFM-HXUWFJFHSA-N 491.596 2.398 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnccn3)n2CC2(C)CCOCC2)n1 1690109628 YJIUXYQXTMYJTR-UHFFFAOYSA-N 450.547 2.035 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccccc2C(F)(F)F)CC1 1690124904 WTAMUKBXBXMTEK-KRWDZBQOSA-N 467.517 2.003 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OC)n2C[C@@H]2CCCO2)CC1 1690152323 HGGUTTSYEQTNLS-IBGZPJMESA-N 453.543 2.011 30 10 JEEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1690172461 GLHSVBNYLWFTMT-GOSISDBHSA-N 452.646 2.476 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cc2cccnc2)n1CC(=O)N1CCOCC1 1690555703 AQEFMSOIFUHNPZ-UHFFFAOYSA-N 462.554 2.324 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCCN(C(=O)c2cccc(F)c2)CC1 1690722913 ANYJEOCQSAJJHR-UHFFFAOYSA-N 461.563 2.248 30 10 JEEE C=CCSCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCO[C@@H](C(=O)NC)C1 1690742620 WFAUOWUQGTUZIH-LJQANCHMSA-N 497.625 2.106 30 10 JEEE C=CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@](C)(C(=O)NC)C1 1690747188 VQXUHCXODKYKIO-HXOBKFHXSA-N 494.662 2.468 30 10 JEEE CC(C)Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@H](N1CCOCC1)C(F)(F)F 1692213273 HRGUSVDBHWIPGQ-IBGZPJMESA-N 492.550 2.333 30 10 JEEE C[C@H](CC#N)N(C)c1nnc(-c2ccccc2Cl)n1CCNS(=O)(=O)Cc1ccon1 1692657165 DVGVBIMGMAWRSB-CQSZACIVSA-N 463.951 2.444 30 10 JEEE CO[C@]1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)CCOC1 1697227850 HDQOGAPTUOPDLJ-CPJSRVTESA-N 498.584 2.352 30 10 JEEE COc1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@@H](C)CS(C)(=O)=O)c(OC)n1 1697443602 DLDDHLLYNYTLIE-HNNXBMFYSA-N 470.555 2.147 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCCN1CCOCC1 1705494750 FGKWHKXHULNQCX-VQTJNVASSA-N 476.622 2.157 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2CCNC(=O)c2cccs2)c1 1705507316 YCODSKNMHXBCNR-GOSISDBHSA-N 478.578 2.330 30 10 JEEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1705539990 JQMLYOFWJOVSOC-HMXCVIKNSA-N 456.635 2.399 30 10 JEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CC(=O)Nc1ccc(F)cc1 1705585744 ZGHQINBPLYNUMS-UHFFFAOYSA-N 450.499 2.120 30 10 JEEE C=C(C)COCCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@]2(CCC(=O)N2)C1 1705731471 YSLDNYHRKUMLMX-HXUWFJFHSA-N 463.380 2.498 30 10 JEEE C=C(Cl)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1705754765 FSDYTHDIJCQCQS-QAPCUYQASA-N 467.979 2.309 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C 1705843919 RCZXNRPXGLYORA-BZSNNMDCSA-N 455.625 2.075 30 10 JEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)c1ccccc1F 1705844244 YFKFXRBODLFJQM-GOSISDBHSA-N 451.568 2.350 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN([C@H](C)c2nc(CC)no2)CC1 1705898109 BAVHVLOOMXQEMW-QGZVFWFLSA-N 480.573 2.085 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC(C(=O)NC2CCCCC2)CC1 1705899747 FTWBECRTGIZOOE-UHFFFAOYSA-N 451.575 2.308 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1705903175 NPPCXORYDMXUHA-MRXNPFEDSA-N 477.960 2.277 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1705937089 IHWCTCJCHNYNCQ-KRWDZBQOSA-N 477.635 2.186 30 10 JEEE C=CCSCCn1c(Cc2ccccn2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1705947364 JAVXQYHWCXQAKN-SIKLNZKXSA-N 469.659 2.172 30 10 JEEE CC(C)CN1CCO[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCOC[C@@H]2C)C1 1706517672 HOIJLFFMYREYHH-SIKLNZKXSA-N 454.575 2.311 30 10 JEEE C[C@](O)(Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(NS(C)(=O)=O)CC1)c1cccs1 1706897592 DBTZFZXXVPIWBE-QFIPXVFZSA-N 486.623 2.304 30 10 JEEE CCS(=O)(=O)N(C)CCCn1c(CC2CC2)nnc1N1CCN(c2ccccc2C#N)CC1 1710887169 AMJXSWZQCHKNLM-UHFFFAOYSA-N 471.631 2.100 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H](C(C)C)N1CCOCC1 1722281837 WAXAQIMWCQTMLI-ICSRJNTNSA-N 487.674 2.361 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OCC)CCOC3)n2Cc2cc(C)on2)c1 1722304600 ANFRTSQKQIYYIT-XMMPIXPASA-N 464.526 2.331 30 10 JEEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccc(OC)cc1)N1CCCC1 1722351482 IVPNFMPTPWHJGS-CTNGQTDRSA-N 457.600 2.095 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1CCCN(CC)CC)[C@@H]1CCS(=O)(=O)C1 1722361231 FZVAKXWRVZRQAE-HXUWFJFHSA-N 487.626 2.075 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4ccccc4n3)n2CC(C)(C)C(=O)NC)CC1 1722444808 GKXPHNSRVXPPKW-UHFFFAOYSA-N 473.581 2.231 30 10 JEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)NCc2ccc(F)cc2)CC1 1722452362 FLDDTSWMZPWNIF-UHFFFAOYSA-N 486.617 2.455 30 10 JEEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1722478998 DPKUBVZFQCFLHG-FBIMIBRVSA-N 460.320 2.432 30 10 JEEE C=C(Br)Cn1c(-c2cnccn2)nnc1N1CCN(CC(=O)NCc2ccccc2)CC1 1722481511 BDPRPIUVEAHBBE-UHFFFAOYSA-N 497.401 2.082 30 10 JEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(Cc2ccccc2)CC1 1722618925 XDIYKFXJQGPJHI-QFIPXVFZSA-N 488.658 2.290 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N1CCc2ccccc21 1722682227 YKSXIAFITSYNGS-QUCCMNQESA-N 459.616 2.270 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCCC2(C)C)C1 1722719589 WXLCSCLBDAPHFA-OTWHNJEPSA-N 467.636 2.219 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCc2cc3c(cc2C1)CCCC3 1722726148 XDVQZZKUEJGBRA-UHFFFAOYSA-N 471.627 2.459 30 10 JEEE CNC(=O)CC1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2([S@@](C)=O)CCC2)CC1 1729692156 GHPDFLQXRRYDRD-JGCGQSQUSA-N 454.600 2.470 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@H](c1ccco1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1740619596 PNTUDAKSNHVMHG-QZTJIDSGSA-N 457.556 2.369 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1Cc1ccc(F)cn1)[C@@H]1CCS(=O)(=O)C1 1740625485 OBODQXUTXBHDBR-LJQANCHMSA-N 457.506 2.217 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CCNC(=O)c1ccc(C)cc1 1740645877 MXFWKIPFLSWBHS-UHFFFAOYSA-N 455.522 2.127 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2CCc2nc3c(s2)CCCC3)CC1 1740690811 OGDFYHXNAQYHTR-GOSISDBHSA-N 458.632 2.335 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N1CCOCC1 1740913778 HHIOVUFKLAJOOM-TZIWHRDSSA-N 489.642 2.102 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N(C)CC(=O)N(C)[C@@H](C)c1ccccc1 1740959064 ZHNRITGPZXSKEQ-AZUAARDMSA-N 454.575 2.130 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N(C)CC(=O)N(C)[C@@H](C)c1ccccc1 1740959065 ZHNRITGPZXSKEQ-ICSRJNTNSA-N 454.575 2.130 30 10 JEEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@H](NC(=O)OCC)C1 1740959519 YQDQWEFUJWHQBA-INIZCTEOSA-N 451.531 2.444 30 10 JEEE C=CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C(=O)OC)CC1 1740996408 BIBNDKCRQPIIHU-UHFFFAOYSA-N 494.643 2.003 30 10 JEEE CNC(=O)CCn1c(-c2ccc(F)cc2Br)nnc1N(CCC#N)CCOC 1748270541 GWTDJOVVJDSVDT-UHFFFAOYSA-N 453.316 2.349 30 10 JEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)c1nccs1 1748717630 DYZGICODCRENIE-IAGOWNOFSA-N 466.633 2.111 30 10 JEEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cc2c(cc1OC(F)F)OCO2 1748766725 WNMDOWDBKSPMQV-UHFFFAOYSA-N 456.409 2.373 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@]1(O)CCS(=O)(=O)C1 1748868594 AILQPJNNSKDDAG-XMMPIXPASA-N 495.630 2.390 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(OC)c(Br)c2)n1Cc1nnc2n1CCC2 1748956504 FLIAJRIQUOZSFY-UHFFFAOYSA-N 486.374 2.388 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCC(=O)NCCC)CC1 1748999749 DSHWXKNOEJVXAT-IBGZPJMESA-N 473.622 2.022 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H](C)Oc2ccccc2)CC1 1749003188 AQWKYNBJLWEMGM-IBVKSMDESA-N 481.597 2.364 30 10 JEEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CCC(O)(C(F)(F)F)CC1 1749109285 GTCLDAXWJDVVIG-UHFFFAOYSA-N 452.275 2.203 30 10 JEEE COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2sc(C)nc2C)CC1 1749245339 HJULCDOXTQKRSW-UHFFFAOYSA-N 451.556 2.233 30 10 JEEE C=C(Cn1c(N2C[C@@H](O)[C@H](CC(=O)OC)C2)nnc1[C@]1(OCC)CCOC1)c1ccccc1 1749246366 ASQAKXXVZOHDAZ-REHUZNOOSA-N 456.543 2.004 30 10 JEEE C=CC1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC2(O)CCS(=O)(=O)CC2)CC1 1749336356 YYAUTZLFEHZFRB-UHFFFAOYSA-N 476.599 2.304 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCCO[C@H](C)C1 1749667281 XBIOYPZRHFFXCE-QGZVFWFLSA-N 465.558 2.153 30 10 JEEE CC(C)CC(=O)Nc1cccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)c1 1750691923 BBSOFOUYRPVUOC-ZHRRBRCNSA-N 491.593 2.363 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(Br)cc1 1760117274 NOTAMSMZNDYATG-MAUKXSAKSA-N 496.431 2.074 30 10 JEEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 1760127644 HDYGPQIRZNXILZ-QGZVFWFLSA-N 458.588 2.162 30 10 JEEE C#CCCCCn1c(Cc2ccccc2OC)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1760140557 RCTQWHZYDNVRCE-LJQANCHMSA-N 462.558 2.213 30 10 JEEE C#CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC[C@@H](CNC(C)=O)C1 1760152379 KNESUFJYBGLVON-IBGZPJMESA-N 461.570 2.441 30 10 JEEE C#CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(C(=O)NC)CC1 1760162511 VBWRPADRMISTKD-GOSISDBHSA-N 459.595 2.267 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CC1(O)CCCCC1)[C@H]1CCS(=O)(=O)C1 1760185892 GNQIHOCAFGLWEN-KRWDZBQOSA-N 478.565 2.469 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCc1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1760186723 FXOSQEIUZVNKQP-TZIWHRDSSA-N 458.584 2.398 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](OC)C(C)C 1760241993 QJQWSFUNBNURNL-NHCUHLMSSA-N 493.605 2.061 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2OCC[C@H]2COC)n1CC(=O)NCC(F)(F)F 1760243894 UBVWOCCSSMFGEN-LPHOPBHVSA-N 483.466 2.460 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1760248784 QKTJCGBLQNEIGO-MOPGFXCFSA-N 454.579 2.106 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCCN2C[C@H](C)O[C@H](C)C2)CC1 1760251579 COJFTNKTDRFMKN-ZRZAMGCNSA-N 493.656 2.402 30 10 JEEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1760277225 DPEJGKSKTQIGNZ-FQEVSTJZSA-N 450.568 2.011 30 10 JEEE C#CCSCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN2CCOC[C@H]2C1 1760280160 CYRJYSIVMGSFIO-HXUWFJFHSA-N 490.674 2.280 30 10 JEEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1760301736 INQRJBDYWWLSSA-IRXDYDNUSA-N 458.401 2.212 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C)Oc2ccc(OC)cc2)C1 1760541672 GFIGRVSMNVXJFB-WAOWUJCRSA-N 476.599 2.438 30 10 JEEE CCO[C@]1(c2nnc(N3CCN(c4cc(C#N)ccn4)CC3)n2C[C@@H](CC(C)C)N(C)C)CCOC1 1767472358 DUEYHSFEHADSBP-ATIYNZHBSA-N 496.660 2.500 30 10 JEEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCC[C@H]2C)CC1 1771149425 DEGREBVOLGFPLX-DVECYGJZSA-N 454.575 2.048 30 10 JEEE COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCNC(C)=O)cc1 1862607548 RMDRXJWATJTMQZ-NRFANRHFSA-N 452.463 2.181 30 10 JEEE CCOC(=O)c1ccc(N2C[C@H](C(=O)Nc3c(C#N)nnn3-c3cccc(N(C)C)c3)CC2=O)cc1 1870150285 BBZBEYFNBGWJSI-QGZVFWFLSA-N 487.520 2.373 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)N(C)C2CCCCC2)cn1CCOCCO 1870506656 XUVBQZOYIXBMPR-UHFFFAOYSA-N 461.603 2.201 30 10 JEEE CC(C)N1C(=O)CS[C@H](C(=O)N[C@@H]2CCN(C3CCOCC3)C2)[C@H]1c1ccc(C#N)cc1 1891926031 QREBUTLBZLAZGY-PTUXOGIPSA-N 456.612 2.321 30 10 JEEE COC(=O)CN(Cc1ccccc1)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2247905038 RLCICQGEJOCVGD-UHFFFAOYSA-N 451.375 2.411 30 10 JEEE Cc1cc(S(=O)(=O)NOCCCNC(=O)OC(C)(C)C)sc1B1OC(C)(C)C(C)(C)O1 2255744889 NDBIQBORPQFKSJ-UHFFFAOYSA-N 476.426 2.480 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CC[C@H]2NC(=O)OCc2ccccc2)n1 2255830164 AZSKKSFQJZTOGI-RTBURBONSA-N 468.363 2.389 30 10 JEEE Cc1csc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)c1B1OC(C)(C)C(C)(C)O1 2255836908 HALKKARAMBAUIP-KGLIPLIRSA-N 452.382 2.066 30 10 JEEE CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)[C@@H]1C[C@H]1B1OC(C)(C)C(C)(C)O1 2267098144 WMPNNOPVHKENDY-OAGGEKHMSA-N 452.357 2.480 30 10 JEEE COCCN(C(=O)c1sncc1B1OC(C)(C)C(C)(C)O1)C1CN(C(=O)OC(C)(C)C)C1 2267196016 BEWNIINWGYJKHJ-UHFFFAOYSA-N 467.397 2.150 30 10 JEEE C[C@@H]1CCN(C(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)[C@H](C)[C@H]1NC(=O)C(F)(F)F 2267538075 SXOFUOKSKGTCPU-WZRBSPASSA-N 461.315 2.360 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2C(NS(=O)(=O)c3cccc(B4OC(C)(C)C(C)(C)O4)c3)[C@@H]2C1 2267721567 QFYVPLVTRDSQSV-IAGOWNOFSA-N 464.393 2.129 30 10 JEEE C[C@@H]1CN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)CC[C@H]1NC(=O)C(F)(F)F 2267723152 OSJBQYBNKSFYSM-DGCLKSJQSA-N 482.355 2.125 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)O 2268645028 SABUKXQHSILTER-CXAGYDPISA-N 450.341 2.207 30 10 JEEE CN(C(=O)OC(C)(C)C)[C@]1(C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)CCOC1 2268645331 UAGDSPXGXLRLPB-OAQYLSRUSA-N 467.397 2.085 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@@H]1CNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2281790565 KQSLWDCYKJVFQQ-INIZCTEOSA-N 464.343 2.491 30 10 JEEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1CCNC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2281820798 HQWMNRFCMWHNBA-CVEARBPZSA-N 462.400 2.342 30 10 JEEE Cn1cc(C(=O)N2CC=CCC23CN(C(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)n1 2281961857 RJUFVFGUKXDDOR-UHFFFAOYSA-N 458.368 2.111 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2CCO[C@@]2(CNC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2282016104 TUCWSNNLNYGMCQ-PEBXRYMYSA-N 479.408 2.198 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@]2(NC(=O)c3ncc(B4OC(C)(C)C(C)(C)O4)cn3)CCC[C@H]12 2282025498 PMPYFSHXOIKUJC-HJPURHCSSA-N 458.368 2.438 30 10 JEEE CC(C)(C)OC(=O)NC[C@]1(F)C[C@H](CNC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2282106210 VJLPUKZGTYPICL-CAJLXGCNSA-N 464.347 2.149 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1COC[C@H]1NC(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1F 2282400504 GSIAVTJXXKEEDK-WMLDXEAASA-N 464.343 2.394 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1S(=O)(=O)NC1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 2282488729 AUXSIMYPXJXMSY-IAGOWNOFSA-N 478.420 2.438 30 10 JEEE COc1ccc(S(=O)(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2282501537 YIUYVYFIRQJZHZ-OAHLLOKOSA-N 482.408 2.282 30 10 JEEE Cn1ncc(C(=O)N2C[C@@H]3CCC[C@@]3(NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2282538109 ATQMMZGHCKEZMK-NPMXOYFQSA-N 460.384 2.239 30 10 JEEE Cn1cc(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 2282553966 WTSWSUJYVVZUDW-FSDCSDTHSA-N 460.384 2.141 30 10 JEEE Cn1ncc(C(=O)N[C@@]23CCCN(C(=O)OC(C)(C)C)C[C@@H]2C3)c1B1OC(C)(C)C(C)(C)O1 2282574776 TWQLGABPWIAQBQ-NPMXOYFQSA-N 460.384 2.239 30 10 JEEE CC1(C)OB(c2cnc(C(=O)N[C@@H]3CN(Cc4ccccc4)C[C@@H]3C(F)F)nc2)OC1(C)C 2282615570 PTTJAUFJEVJHCR-ZWKOTPCHSA-N 458.318 2.271 30 10 JEEE COC1(CCNC(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CN(C(=O)OC(C)(C)C)C1 2282668152 DKRCEYRMEDUVOP-UHFFFAOYSA-N 461.368 2.137 30 10 JEEE CC(C)(C)OC(=O)NCc1cccnc1NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2283070127 VDMAQIFFSYGFGJ-UHFFFAOYSA-N 455.324 2.448 30 10 JEEE CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)n1 2283969152 OTELXTBDPTXAOP-CQSZACIVSA-N 483.758 2.429 30 10 JEEE C[C@H](NC(=O)[C@]1(CO)CCN(C(=O)OC(C)(C)C)C1)c1nscc1B1OC(C)(C)C(C)(C)O1 2284019467 YSFOIEBFHXEILL-RCDICMHDSA-N 481.424 2.239 30 10 JEEE COc1cccc(C=NNc2nc3c(c(O)nc(=O)n3C)n2C[C@H](O)COc2ccc(C)cc2)c1 2327754047 AJNBZQVRZFDYKL-KRWDZBQOSA-N 478.509 2.039 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@@]2(C1)C(=O)NCCN2C(=O)[C@@H]1C[C@H]1B1OC(C)(C)C(C)(C)O1 2359280448 WVUXSOUCDHDPEY-CKNGIIGNSA-N 463.384 2.197 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2[C@@H](C)CN(C(=O)OC(C)(C)C)C[C@H]2C)n1C 2362338231 CXPRYESNLVLDGX-GASCZTMLSA-N 462.400 2.498 30 10 JEEE CC(C)(C)OC(=O)N1CC(OCCNC(=O)c2ccc(F)cc2B2OC(C)(C)C(C)(C)O2)C1 2362401650 VFDAUBBDMZPLHC-UHFFFAOYSA-N 464.343 2.491 30 10 JEEE C[C@@H]1CN(C(=O)c2nn(C)c(=O)c3ccccc23)/C(=N\c2cccc(S(=O)(=O)N(C)C)c2)S1 9950579 ZPVBOQVWMXOVFN-DGIAWOHRSA-N 485.591 2.449 30 10 JEEE Cc1ccc(N2CCN(c3nccn4c(=O)n(CC(=O)Nc5cccc(C#N)c5)nc34)CC2)cc1 65151779 FOQVWLGFLCOSOD-UHFFFAOYSA-N 468.521 2.036 30 10 JEEE COc1cc([C@@H]2/C(=C(/O)c3ccco3)C(=O)C(=O)N2CCCN2CCOCC2)cc(OC)c1OC 103110315 XAWNUDRSBBFOIF-SADKCHQCSA-N 486.521 2.449 30 10 JEEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)CCN1C(=O)[C@H]2CCCC[C@H]2C1=O 911564865 DRGMUUAHYGDUHX-KURKYZTESA-N 455.511 2.439 30 10 JEEE COc1ccc(C(=O)CSc2nnc(NN=Cc3ccc(N(C)C)cc3)n2N)cc1OC 1084643403 GBWSFUVBFHIZJJ-UHFFFAOYSA-N 455.544 2.496 30 10 JEEE C#CC(C)(C)NC(=O)C1CCN(c2ccc(S(=O)(=O)N(CC)CC)cc2[N+](=O)[O-])CC1 1126065885 ULFULUHEUCIMBB-UHFFFAOYSA-N 450.561 2.370 30 10 JEEE CCOC(=O)C1=NN(c2ccccc2)[C@H](C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 1127911342 CKWMDSVMKDADPO-IRLDBZIGSA-N 459.506 2.368 30 10 JEEE C=CCNC(=O)CNC(=O)c1ccccc1NS(=O)(=O)c1ccc(Br)cc1 1137840712 BDTLHCAUSLYLSG-UHFFFAOYSA-N 452.330 2.282 30 10 JEEE C=CCn1c(S)nnc1-c1sc(NC(=O)c2ccc(S(N)(=O)=O)c(C)c2)nc1C 1144387946 ZHLVIMPOEWTCOQ-UHFFFAOYSA-N 450.571 2.393 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCN/C(O)=C1\N=CC=CC1=O 1286276848 ZDNOBRPCWKPJHR-YFUCQSNDSA-N 456.510 2.320 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1Cc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1286395353 ZYIVVDAITICVBK-GOSISDBHSA-N 459.572 2.448 30 10 JEEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1C[C@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C 1286416932 ZTQBPGSNBXLCCI-OALUTQOASA-N 454.575 2.119 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@](C)(O)c2ccco2)CC1 1286486229 DIFAXZMSLABNTQ-VWLOTQADSA-N 463.538 2.420 30 10 JEEE C#CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@H](OC)[C@H](OC)C1 1286495943 JFCYRGOSMJBCEW-HDICACEKSA-N 463.991 2.078 30 10 JEEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1286511168 GOGOTUHWAJGOCL-QFIPXVFZSA-N 475.640 2.410 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)C1CCC(NC(C)=O)CC1 1286549788 WNNCNOWGPUGUNB-UEKLYDJUSA-N 458.607 2.379 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1286582316 WMKCTGRRWFFOMD-FCHUYYIVSA-N 473.643 2.198 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(c2nccnc2C)CC1 1286778750 AENJBPMGXIUZCH-UHFFFAOYSA-N 452.950 2.326 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC(NC(=O)c2ccc(C)s2)CC1 1286786134 YAGWKFJOPHOGEA-UHFFFAOYSA-N 465.583 2.411 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(CC(=O)Nc2ccccc2CC)CC1 1286787669 IAMKRVZULRCGQT-JOCHJYFZSA-N 495.628 2.145 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 1286818839 QBDNIYHBSIEIPP-GOSISDBHSA-N 474.631 2.318 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H](C)N(C)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1300488162 PDGRDHUEJSIQKM-IFMALSPDSA-N 480.638 2.431 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H](c1ccsc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1300499435 RRZKEDRZZOQLCK-SFTDATJTSA-N 484.651 2.255 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@](C)(O)[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1300500505 ADSCHHGQQLCXEB-LEEZEASISA-N 458.628 2.487 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(Br)cc2)n1CCCN(CC)S(C)(=O)=O 1300516091 IIOMEMNHKWUICQ-UHFFFAOYSA-N 478.416 2.452 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(c2ccccc2OC)CC1 1300671055 AWZWHWIYYBFPMH-GOSISDBHSA-N 458.584 2.007 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCOc2cc(C)cc(C)c2)CC1 1300686242 YSPMQKFRYNZCEI-VWLOTQADSA-N 453.587 2.381 30 10 JEEE C#CCN1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCCCOCC)CC1 1300699335 BLFYMTHBEIRBSV-UHFFFAOYSA-N 452.607 2.024 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@H](C(C)C)N2CCOCC2)CC1 1300719407 ZMMWVVJEEVGHMG-XMMPIXPASA-N 494.640 2.276 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2C[C@@H](OC(C)(C)C)C2(C)C)CC1 1300721983 DZNATQJYBMTRCZ-HSALFYBXSA-N 484.645 2.425 30 10 JEEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H](COC)C1 1300742848 CCFOWPVPMHGPOZ-QGZVFWFLSA-N 463.629 2.035 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)Nc2ccccc2)CC1 1300761987 FVFGYMIBTIWZAA-IBGZPJMESA-N 487.651 2.402 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(Cc2cnc(C)s2)CC1 1301484773 NGYIRKXBQLGRFY-UHFFFAOYSA-N 482.570 2.243 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1301517836 CKRQLPSWRRKADP-MRXNPFEDSA-N 460.991 2.337 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2cc(F)cc(F)c2)C1 1301556964 KWYGFIMHIUJGRR-VQIMIIECSA-N 452.527 2.482 30 10 JEEE CC[C@@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1305627178 GMVJJOZRLCQTEZ-BEFAXECRSA-N 464.530 2.391 30 10 JEEE C#CCN(c1nnc(C)n1C[C@H](c1ccc(OC)cc1)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1358957738 ZLBQCBWHWPXLKK-RBBKRZOGSA-N 457.600 2.059 30 10 JEEE C#CCN(c1nnc(CC)n1CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1358964249 WIKCDJXZHMCXEK-ZWKOTPCHSA-N 465.620 2.114 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1359016931 PNMDOJOLIHVCBV-GLEDVZQVSA-N 464.501 2.087 30 10 JEEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1(c2ccccc2)CC1 1359057379 YITVQLRPHKAZMA-FQEVSTJZSA-N 489.667 2.145 30 10 JEEE C#CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1359058122 TTWKVIHRLJFBHW-GJYPPUQNSA-N 464.613 2.415 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2COc3ccccc3O2)nnc1N(C)CCS(C)(=O)=O 1359099123 KFUGKXZCCVOKAL-AHRSYUTCSA-N 462.572 2.253 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)NC)CC1 1359103361 NIWYYIKWSDMJQY-UTKZUKDTSA-N 458.538 2.439 30 10 JEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 1359131873 HWBULUHIHYLWMB-QGZVFWFLSA-N 455.519 2.057 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1359187829 YUBABAJANGFKFB-IBGZPJMESA-N 451.575 2.257 30 10 JEEE C=CCn1c(CC(C)(C)C)nnc1N1C[C@@H]2[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1359287937 GXULMEJQWBMMJH-OWCLPIDISA-N 453.609 2.179 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCCN(c2ncccc2F)CC1 1359302460 IFQIBNDKVAANGR-UHFFFAOYSA-N 479.560 2.431 30 10 JEEE C=CCOc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC=C(C)CC2)cc1 1359308159 FYFDKLZZSOCSMV-OAQYLSRUSA-N 473.599 2.381 30 10 JEEE C#CCn1ccc(CN(CCOC)C(=O)CC[C@H]2NC(=O)N(c3ccc(Cl)cc3)C2=O)n1 1448855602 FZDOBXCGMWAUBB-LJQANCHMSA-N 457.918 2.050 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1CCN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1507628200 HCPYEADTLOZLDX-LJQANCHMSA-N 457.600 2.066 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H](OCC)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1507631273 NGJNWUXEARTYMT-TZIWHRDSSA-N 466.567 2.140 30 10 JEEE C#CCN(c1nnc(COc2ccccc2CC)n1CCC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1507640398 RMKQLMJSIAUGGK-HXUWFJFHSA-N 472.611 2.351 30 10 JEEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OC)c(Br)c1 1507679725 PSDYLHDDQJLJIV-CYBMUJFWSA-N 470.393 2.167 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccc(OC)cc3)n2Cc2nnc(C)s2)CC1 1507740363 RKMRAFWZTVVWLY-UHFFFAOYSA-N 479.610 2.246 30 10 JEEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1507750210 MGXSJGBZORENRT-LJQANCHMSA-N 455.632 2.163 30 10 JEEE C=CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCn2ccnc2C1 1508039106 YAZRJEZWIKOOOU-GOSISDBHSA-N 470.599 2.447 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1508086855 PHPKLFFRBLOSOT-JOCHJYFZSA-N 493.656 2.003 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1508091668 NGUDOHCNCSTWPY-LJQANCHMSA-N 494.600 2.351 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[C@H](NC(=O)CC)C1 1508139311 FNFNTKQXVCDUDT-FQEVSTJZSA-N 497.625 2.227 30 10 JEEE C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C[C@@H]1C 1512330996 DLBSSKXKVNYBRX-HBFSDRIKSA-N 472.615 2.493 30 10 JEEE CCCNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)C(C)C)C1 1515010112 HBPBWMIVCHYRIM-FQEVSTJZSA-N 451.575 2.332 30 10 JEEE CCOc1cccc(N2CCN(c3nnc(-c4cccc(C#N)c4)n3CC(=O)NC(C)C)CC2)n1 1516323902 ABUGDSZMLSBRJQ-UHFFFAOYSA-N 474.569 2.462 30 10 JEEE CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N[C@H]2CCc3cc(C#N)ccc32)o1 1524941229 ARTKAHCRHDBKJU-ROUUACIJSA-N 457.508 2.285 30 10 JEEE C=CCOc1cccnc1C(=O)N1CCN(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1 1532807205 UGKGHYSVMKGBNR-UHFFFAOYSA-N 459.547 2.077 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1c(CC)nn(C)c1OC 1539014833 SJWWKBWXIRBWHR-QGZVFWFLSA-N 463.590 2.263 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCO[C@@H](C)C2)c1 1539043399 PYTKRGMFTRLPCK-HQRMLTQVSA-N 450.543 2.101 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CCCC3)n2C[C@H]2CC(=O)N(CCOC)C2)c1 1539043411 QEUMRMMCFUTLOP-FQEVSTJZSA-N 478.597 2.487 30 10 JEEE C#CCCCn1c(N2CCN(CC(=O)Nc3ccccc3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1539140029 JZPFREDLMCHFNE-SANMLTNESA-N 480.613 2.493 30 10 JEEE C#CCN(c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC)[C@H]1CCS(=O)(=O)C1 1539220051 HKMRXHCQZGRRAU-ROUUACIJSA-N 465.620 2.429 30 10 JEEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H](c1ccc(C)o1)N1CCOCC1 1539237401 CQEDXNRFAVQFPS-BKMJKUGQSA-N 481.597 2.366 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccccn2)n1C[C@@H]1C[C@@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1539252997 JZHBNLIMBOJOJZ-DYXWJJEUSA-N 462.554 2.437 30 10 JEEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1ccc(C#N)o1 1539273113 LALBMTJLMRXXPW-UHFFFAOYSA-N 453.550 2.229 30 10 JEEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)CC1 1539444413 NRBFWBMFJRGLBG-UYAOXDASSA-N 468.606 2.079 30 10 JEEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2CCCN2C[C@@H](C)O[C@H](C)C2)CC1 1539459294 CORRUFWWFURGPR-DHIUTWEWSA-N 466.630 2.154 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2C[C@@]2(O)CCC[C@H]2C)CC1 1539475445 GKSDYRIHSKCVJD-CJAUYULYSA-N 451.571 2.471 30 10 JEEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCN([C@H](C)c2nc(CC)no2)CC1 1539513625 PWZVAWDASVKWHK-QGZVFWFLSA-N 454.604 2.479 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1ccc(C)c(F)c1 1539670080 WWRIGDRXVYPMPI-GOSISDBHSA-N 463.579 2.460 30 10 JEEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 1539722886 UKSLZTZRMGNXJX-LJQANCHMSA-N 460.623 2.484 30 10 JEEE C=C(Cl)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1539779434 XBYWHPJTOIZHDD-RBUKOAKNSA-N 469.030 2.278 30 10 JEEE C=CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1539974555 QQBSRBVERKDHBS-UHFFFAOYSA-N 468.587 2.213 30 10 JEEE C=CCNC(=O)Nc1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccccc3OC)C2=O)cc1 1540674076 BWLKJZDNQGUKJR-QHCPKHFHSA-N 451.483 2.408 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C)C(=O)[C@H]1C 1540879671 LGONYIJQMHUZQQ-QGZVFWFLSA-N 461.526 2.205 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2c(F)cccc2Cl)C1 1540893163 YCNLVDLQLGZHBH-KXBFYZLASA-N 499.996 2.233 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccccc3OC)n2C[C@@H]2CCS(=O)(=O)C2)C1 1540896409 LCMRFEKAVQHHLU-ZWKOTPCHSA-N 462.572 2.082 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Br)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1540900207 NZPGNVFRAQNGEX-JKSUJKDBSA-N 497.371 2.423 30 10 JEEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(N(C)C)CCSC1 1541893852 CXFYOXKVJLNLPV-VGSWGCGISA-N 492.671 2.035 30 10 JEEE Cc1cccnc1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1542790395 FYQVGVYMASBTNM-UHFFFAOYSA-N 495.609 2.341 30 10 JEEE C#Cc1ccc(C(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2N2CCN(C)CC2)nc1 1543355971 WEBQDBQSSCFIFH-UHFFFAOYSA-N 455.584 2.098 30 10 JEEE COCCNC(=O)[C@@H]1CN(C(=O)c2ccc(C)nc2)CCN1c1ccc(C#N)c(C(F)(F)F)c1 1548368136 WZSCPWTXEYLGPG-FQEVSTJZSA-N 475.471 2.374 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCCCN2CC)c1 1587683208 DWUCMJAZGBSZTB-QFIPXVFZSA-N 477.613 2.445 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCO[C@H]2C(=C)C)c1 1587692604 GLTAEOAYDAYCEP-RFWXGWTQSA-N 462.554 2.267 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cn4ccccc4n3)n2CC(C)(C)O)c1 1587697639 VPBFPZAKCCHMGZ-UHFFFAOYSA-N 457.538 2.344 30 10 JEEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](NC(=O)CC)C1 1587860980 DODUTXKRFXVLPP-RBUKOAKNSA-N 474.606 2.495 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1Cc1ccn(C)n1)[C@@H]1CCS(=O)(=O)C1 1588040143 IPVBXADTJNDSJY-HXUWFJFHSA-N 498.609 2.149 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@H](C)N(C)C1CC1)[C@@H]1CCS(=O)(=O)C1 1588069403 MWSXQJVNZQMAOG-SIKLNZKXSA-N 455.628 2.173 30 10 JEEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1Cc1cc(C)nn1C)[C@H]1CCS(=O)(=O)C1 1588069517 PRMBXLBDCAFKGU-FQEVSTJZSA-N 482.610 2.191 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CCCCCO)CC1 1588898894 HGMXLWAUPLUQOF-UHFFFAOYSA-N 461.570 2.464 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCOCC(F)F)CC1 1588924232 XXGGZBWRXOTJDX-UHFFFAOYSA-N 483.523 2.378 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](CC(C)C)NC(=O)OCC 1589215819 DYAKKSWFICVIIR-KGVIQGDOSA-N 465.620 2.333 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCC2(CCOCC2)C1 1589494171 KMKBWLURMGBLOM-QYZOEREBSA-N 467.636 2.267 30 10 JEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(C(F)(F)F)c1 1595405780 YCMCYLHOINTJJZ-MRXNPFEDSA-N 459.494 2.452 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@H]2CCCS(=O)(=O)C2)C1 1595755230 UEOIIKYHLIVWFE-RXVVDRJESA-N 476.599 2.472 30 10 JEEE C=CCSCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1595866698 UQOSIFRJLLFYPC-IBGZPJMESA-N 453.572 2.001 30 10 JEEE CC(C)Cc1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1603408358 CNCGHDQSACMCQL-QHCPKHFHSA-N 455.584 2.192 30 10 JEEE C=CCn1c(S)nc2cc(C(=O)NC[C@@H](CO)Cc3ccc(OC)c(O)c3)ccc2c1=O 1611036801 VCVVYICBHDCJGK-HNNXBMFYSA-N 455.536 2.166 30 10 JEEE CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)CN(C)C)CC1 1613441035 BEVLEGMMTPENDH-FQEVSTJZSA-N 480.661 2.441 30 10 JEEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(OCc3ccc(Cl)c(Cl)c3)CC2)C1=O 1635358158 CATRNAJRXYUIMZ-UHFFFAOYSA-N 454.310 2.478 30 10 JEEE COCCN1[C@@H](C)CN(CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)C[C@H]1C 1654016522 HOSBBTGWQRYNKR-HSALFYBXSA-N 457.619 2.397 30 10 JEEE C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)N1CCN([C@H](C#N)c2ccccc2)CC1 1657631790 BLHHYRANHMMCRM-PGRDOPGGSA-N 455.584 2.146 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc(Cl)nc3)n2CC(=O)NCC(F)F)c1 1689870769 ZWCVYGRRTZKBAC-UHFFFAOYSA-N 487.898 2.431 30 10 JEEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CCOC)[C@@H](C)C1 1689932063 PYWYNNSVEIUMES-VQTJNVASSA-N 476.622 2.157 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCN1CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1689991786 CKSLGINXYZVHLM-GHTZIAJQSA-N 459.591 2.119 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CC(C)(C)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1689993928 NVNSUVVQOIFHBJ-OAQYLSRUSA-N 470.643 2.155 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1C[C@](C)(O)c1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 1689994076 QPORHXKNOFGIBD-UGKGYDQZSA-N 463.003 2.418 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1Cc1csc(CC)n1)[C@H]1CCS(=O)(=O)C1 1689997303 ZUAHFBXCBCWWMV-IBGZPJMESA-N 496.618 2.423 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](CC)N1CCc2ccccc2C1 1690033386 WKFYCTAHYMBAIR-NZQKXSOJSA-N 482.654 2.188 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2C[C@H](C)SC)CC1 1690144296 SYEIYRKQDPUMBY-KRWDZBQOSA-N 493.637 2.392 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2Cc2ncccc2N(C)C)CC1 1690148261 AQUANYONGBJZDH-UHFFFAOYSA-N 487.608 2.353 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(CCc2ccc(OC)cc2)n1CCS(=O)(=O)NC(C)C 1690210555 DUJKTOOOUTWRLR-HSZRJFAPSA-N 459.616 2.392 30 10 JEEE C=C(C)Cn1c(N2CCN(C[C@H]3CN(C(C)C)CCO3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1690298168 RBGMPBROGQHUGR-WIOPSUGQSA-N 476.666 2.126 30 10 JEEE C=CCCCCn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1690469488 QRAVWOSXEPCUTC-RTBURBONSA-N 453.609 2.117 30 10 JEEE C=CCN(CC=C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc(C)n(C)c1=O 1690591869 YCHQHKNVCLPDBL-UHFFFAOYSA-N 467.599 2.472 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCc2n[nH]c(C)n2)C1 1690684382 DZOUIOCGVZJUQE-GOSISDBHSA-N 470.965 2.312 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@H]2C[C@H]1CO2 1690729744 RORHACJNWORTMG-WMZOPIPTSA-N 452.964 2.479 30 10 JEEE CC(C)(C)OC(=O)N1CC(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCS(=O)CC2)C1 1691215884 GCBJVUOIJCRABY-UHFFFAOYSA-N 456.572 2.252 30 10 JEEE CCNC(=O)c1cccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@](C)(C#N)C2)c1 1695930069 BHSVEADBPUCKFD-AUSIDOKSSA-N 470.599 2.108 30 10 JEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1705526667 NTPQQZLNERLZAB-HZPDHXFCSA-N 452.602 2.020 30 10 JEEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1C[C@@H](c1ccccc1OC)N1CCCC1 1705585126 LHOSZGODUXMEEY-QFIPXVFZSA-N 460.582 2.319 30 10 JEEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCC1CCN(CC(F)(F)F)CC1 1705604839 VBFJDYZNXDWHSV-OAHLLOKOSA-N 464.558 2.012 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1ncnn1C(C)(C)C 1705621459 DKQVABYFYYJWEW-UHFFFAOYSA-N 484.992 2.342 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@H]2CCCCS2(=O)=O)CC1 1705651186 MZHHAORKNBIZCI-QFIPXVFZSA-N 499.637 2.099 30 10 JEEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1705664958 GKZXFWGPNRUXGW-HMXCVIKNSA-N 488.702 2.352 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCOCC1 1705696802 QRIHXYDPLGXUMO-QUCCMNQESA-N 461.588 2.013 30 10 JEEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ccc(F)cn2)CC1 1705730971 PYWVVIYMNGTBHH-UHFFFAOYSA-N 466.521 2.379 30 10 JEEE C=CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1705890536 VKYKCFRZIPTUHV-FQEVSTJZSA-N 487.649 2.323 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1705897991 YNKYRLCSXBJUHA-HOYKHHGWSA-N 468.558 2.368 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 1705935782 CXPZEGRACAQCGT-ROUUACIJSA-N 483.635 2.266 30 10 JEEE CC(C)N(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1706552466 FHDVOMMNHHBBAU-UHFFFAOYSA-N 465.602 2.232 30 10 JEEE CC(C)NC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1706648042 GRYLFOHMVDCWRP-UHFFFAOYSA-N 483.573 2.310 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCSCC2)cc1 1722292627 AFDZUQQGXGCMKS-PKOBYXMFSA-N 459.641 2.240 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCN1CCN(C(C)=O)CC1 1722297005 XBCVGJHEFLTOOX-LJQANCHMSA-N 487.649 2.015 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(C)CCC2)c1 1722310608 XOYJDHOVTPFSPI-GOSISDBHSA-N 455.584 2.427 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccccc1C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1722360705 IWUPYWOKQIROLH-KRWDZBQOSA-N 478.500 2.372 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2ccc(F)cc2Cl)CC1 1722447564 JXYJAMFXQGNPJK-IBGZPJMESA-N 472.952 2.230 30 10 JEEE C=CCCOCCn1c(N2CCN3C(=O)CC[C@@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1722627429 OJCUUGSOHHICCD-CEXWTWQISA-N 474.606 2.453 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1722688574 GHTHNKOUMQKARV-YCRPNKLZSA-N 493.406 2.123 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](CC)c2ccccc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1722724389 VQVVBOOBSWZRCQ-CVDCTZTESA-N 457.600 2.137 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc(Br)cc1 1722863017 GPUVPLQCKFKDHP-UONOGXRCSA-N 469.409 2.489 30 10 JEEE C#CCCCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1740573388 PEIOVXYMTJLSGB-INIZCTEOSA-N 451.543 2.421 30 10 JEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](COc2ccccc2)C1 1740574802 NNPXIILXXVPLIC-IRLDBZIGSA-N 487.626 2.320 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cn(C)c3ccccc23)n1CCCN(CC)S(C)(=O)=O 1740637124 RAPCFWCXDYHYKB-UHFFFAOYSA-N 452.584 2.181 30 10 JEEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CCc1cccc(C(=O)N(C)C)c1 1740638596 MOXJZJRCSUHECY-UHFFFAOYSA-N 458.522 2.023 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1N1CCCCC1 1740671172 ANFLKNJAFJXMSQ-JOCHJYFZSA-N 486.642 2.109 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC)n2C[C@@H]2CCN(c3ccccc3OC)C2)CC1 1740705341 FVCMHBPVUXSZJV-LJQANCHMSA-N 450.587 2.341 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)CCS(C)(=O)=O 1740753102 FRMOGDVRNIJIPK-CZUORRHYSA-N 472.409 2.498 30 10 JEEE C=C(C)COCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(C(=O)COC)CC1 1740789204 IKXMAWSWMJVNPH-UHFFFAOYSA-N 463.966 2.495 30 10 JEEE C=CCN(CC=C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1CCS(=O)(=O)CC1 1740927780 OQENYAPXVMOUJM-UHFFFAOYSA-N 464.613 2.352 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 1740962510 FZLGIXDOGACWOP-PZJWPPBQSA-N 499.685 2.050 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1740982015 RVELAFUVFHOFOB-PXFSWQRTSA-N 484.507 2.455 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Br)cc2)nnc1N1C[C@H](OC)[C@H](OC)C1 1740988169 VUGYEGKPDXGEAZ-CALCHBBNSA-N 485.404 2.158 30 10 JEEE CC(=O)N1CCN(CCn2c(-c3cccc(Br)c3)nnc2N(C)C[C@@H](C)C#N)CC1 1741056272 FMOOOUOLJMBWGP-INIZCTEOSA-N 474.407 2.468 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CC1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1748803090 UZQMULZTPAOQML-GOSISDBHSA-N 456.572 2.132 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@@H]1CCC[C@H](O)C1)[C@@H]1CCS(=O)(=O)C1 1748818482 BWPVHUVEQFCCHG-KURKYZTESA-N 478.565 2.325 30 10 JEEE C#CCN(c1nnc(CSc2ccc(Cl)cc2)n1C[C@H]1CCC(=O)N1)[C@@H]1CCS(=O)(=O)C1 1748824938 ULGKTOSNTUZBAC-IAGOWNOFSA-N 494.042 2.129 30 10 JEEE C#CCN(c1nnc(CSc2ccc(C)cc2)n1CCCc1cnn(C)n1)[C@H]1CCS(=O)(=O)C1 1748825375 YAVBHVDRUDYIGR-FQEVSTJZSA-N 499.666 2.267 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1748857477 AKHMABWVNONUSW-ISJBWFOZSA-N 499.612 2.388 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCS(=O)(=O)CC1CC1 1748887144 VOYGZACCIHVDOR-UHFFFAOYSA-N 462.579 2.419 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(C(=O)NCC)cc1 1748888416 VXQJREDBMIEHNU-UHFFFAOYSA-N 458.522 2.267 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@]1(N(C)C)CCSC1 1748923095 SXBVNQPBQNMMJA-QHCPKHFHSA-N 451.600 2.089 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(Cc2ccc(F)cc2)CC1 1748929547 MCOVJWGXODJRMT-FQEVSTJZSA-N 475.590 2.233 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC(=O)NCC(F)(F)F 1748969429 VAHMAZNUFUNMPU-HNNXBMFYSA-N 488.511 2.115 30 10 JEEE C#CCSCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCN(C)C(=O)C1 1749024122 GBYDOPUTEWQUDP-UHFFFAOYSA-N 464.389 2.361 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCS(=O)CC1 1749129081 AKRBSCNTWVZEDR-QRVBRYPASA-N 495.646 2.136 30 10 JEEE C=CCCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(C1)OCc1ccccc12 1749445653 UQOZQLDRFDXMKH-VGSWGCGISA-N 461.588 2.117 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 1749660951 WVJKBYYYKWAVNK-KRWDZBQOSA-N 484.557 2.470 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCNC(=O)CC1 1749739323 AHRSGBUIBLZBAY-UHFFFAOYSA-N 475.615 2.082 30 10 JEEE CC(C)COc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)cc1 1750853488 HVAREUMKTPKBCI-IIBYNOLFSA-N 464.567 2.413 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCC2(C1)OCCO2 1760102848 SSZREDVZTDSSDF-QZTJIDSGSA-N 473.599 2.197 30 10 JEEE C#CCN(c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1760185024 NTLCKOCZGKYAOU-HKUYNNGSSA-N 474.583 2.016 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCO[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1760191650 LFTFCLGXBILAQM-CEWLAPEOSA-N 483.594 2.171 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CC1(O)CCS(=O)(=O)CC1 1760193939 AFAYKZXXYOYETB-HXUWFJFHSA-N 470.595 2.047 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCO[C@@H]2C(C)C)CC1 1760261012 IULJZZZHWGQWEM-WIYYLYMNSA-N 456.616 2.086 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@](C)(O)c2cccs2)CC1 1760264649 BARGOCZOQNLQOZ-XMMPIXPASA-N 486.642 2.132 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2cccs2)CC1 1760316301 PMTJLECLQMZLFZ-BJLQDIEVSA-N 494.687 2.253 30 10 JEEE C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1760344183 CDTTUPWZJJVOGT-IBGZPJMESA-N 491.614 2.169 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@](C)(N2CCOCC2)C1 1760518427 UVSBEWDLNLDQBT-QFIPXVFZSA-N 462.957 2.341 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(C)(C)c2ccc3c(c2)OCO3)C1 1760535004 JZBJFHNROWENAC-WMZOPIPTSA-N 491.614 2.376 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC(OCc2ccccc2)CC1 1760548007 WELMDXLDSRFEEH-UHFFFAOYSA-N 487.626 2.301 30 10 JEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N(C)[C@@H]1CCCN(c2ccccc2)C1 1760557118 APFSRIIWKQLWFV-OAQYLSRUSA-N 486.642 2.107 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCOc2ccccc2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1760557305 HGIBQJIJKLYYJQ-YKSBVNFPSA-N 490.626 2.275 30 10 JEEE CN(CC(=O)N1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](c1cccs1)N(C)C 1767010569 CPAPQVGYGKHOCS-FQEVSTJZSA-N 479.610 2.476 30 10 JEEE CN(C)[C@]1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@@H](CC(N)=O)C2)CCSC1 1768490805 GCXPIBAOODGIHS-CYFREDJKSA-N 483.642 2.258 30 10 JEEE COc1ccc(C(C)(C)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1OC 1858488474 ZPKNBZBXBJEEHK-UHFFFAOYSA-N 457.552 2.386 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)COc3cccnc3NC(=O)N3CCOCC3)cc21 1858829633 NMVNVVBQRNJKFY-UHFFFAOYSA-N 452.467 2.119 30 10 JEEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cc(OC)c(O)c(OC)c2)c1 1862707822 GCLMCKOPRCPQCW-JOCHJYFZSA-N 498.532 2.329 30 10 JEEE COc1cc(C(=O)Nc2c(C#N)nnn2Cc2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])cc1OC 1870111768 CBYOSTIGHIQZQN-UHFFFAOYSA-N 453.371 2.284 30 10 JEEE C=CCOc1cn(CCCOC)c(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1=O 1870383967 PRLABIFRICRSPZ-UHFFFAOYSA-N 455.555 2.496 30 10 JEEE C=CCn1c(C(=O)NCc2ccncc2)cc2c(N3CCN(c4ncccn4)CC3)ncnc21 1873593471 BVTIRBGHSYKNDG-UHFFFAOYSA-N 455.526 2.059 30 10 JEEE COc1ccc(N2C[C@@H](c3nnc(SCCO)n3/N=C/c3ccc(O)c(O)c3)CC2=O)cc1 1874198395 ZMFPIOIRKCPCGQ-GIEPYWIESA-N 469.523 2.185 30 10 JEEE COc1ccc(Cc2nnc(SCC(N)=O)n2/N=C/c2ccc([N+](=O)[O-])cc2)cc1OC 1874237857 JYOKIJMIMJBKEB-SSDVNMTOSA-N 456.484 2.254 30 10 JEEE CC(=O)NCc1nnc(SCC(=O)Nc2ccccc2)n1/N=C/c1ccc(O)c([N+](=O)[O-])c1 1874431921 FJBGWXJAWSWNOD-LSHDLFTRSA-N 469.483 2.141 30 10 JEEE CC(=O)NCc1nnc(SCC(=O)Nc2cccc(C)c2)n1/N=C/c1ccc(O)c([N+](=O)[O-])c1 1874431963 HQLDROKSJSIGQV-AUEPDCJTSA-N 483.510 2.449 30 10 JEEE N#Cc1ccnc(OCC2CCN(S(=O)(=O)c3cc4c5c(c3)CCN5C(=O)CC4)CC2)c1 1891649627 VATYDOOKKNEDLC-UHFFFAOYSA-N 452.536 2.268 30 10 JEEE CC(=O)Nc1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)N2CCN(c3ccc(C#N)cc3)CC2)cc1 1892344379 AACUCEUOVMZEMF-XMMPIXPASA-N 495.605 2.409 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1S(=O)(=O)NCCNC(=O)OCc1ccccc1 2247901440 KODJOYOOPIPROA-UHFFFAOYSA-N 474.388 2.499 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CC[S@](=O)(=NC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C1 2255637613 FDGCOPJCUAUPGZ-MDQXEJNYSA-N 471.410 2.348 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCOC[C@@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2255876841 GIEGFRHYPCOUFJ-KBPBESRZSA-N 452.382 2.459 30 10 JEEE CC(C)(C)OC(=O)NCCCONS(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2255950712 SJEASTVKULYAKR-UHFFFAOYSA-N 456.370 2.111 30 10 JEEE CC(C)CN(CCNC(=O)OC(C)(C)C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2267178149 XZYNDMNJVTXVJE-UHFFFAOYSA-N 450.389 2.342 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H]1NS(=O)(=O)c1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2267468619 LYEVWUBWTAEWMK-CXAGYDPISA-N 470.372 2.316 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(CNC(=O)[C@@H]2C[C@H](O)CN2C(=O)OC(C)(C)C)s1 2268646676 KTCDBLHTUQIMLG-HOCLYGCPSA-N 466.409 2.342 30 10 JEEE Cc1c(C(=O)N[C@H]2C[C@](F)(CNC(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281794673 JVMBKRDVBVSINY-XLOAEROZSA-N 466.363 2.153 30 10 JEEE Cc1c(C(=O)N2C[C@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281803446 XDMAGEBCMGVQGA-GJZGRUSLSA-N 462.400 2.498 30 10 JEEE Cc1cnc(C(=O)N[C@H]2COCCN(C(=O)OCc3ccccc3)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2281954777 CRQLGPWVJXBFFA-HXUWFJFHSA-N 495.385 2.457 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2C[C@H](B3OC(C)(C)C(C)(C)O3)C2)[C@@H]2CS(=O)(=O)C[C@@H]21 2281957147 IAFQZFULIWJURN-VQHPVUNQSA-N 484.424 2.104 30 10 JEEE Cc1cc(C(=O)NC[C@@H]2C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C2)oc1B1OC(C)(C)C(C)(C)O1 2281965629 CXWMKRVVOMYQKL-ARFHVFGLSA-N 464.368 2.281 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H]2CCN(C(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)C[C@H]2C1 2281978381 CAWJFUXEZJFECA-HOTGVXAUSA-N 460.384 2.428 30 10 JEEE CCC1(CNC(=O)c2c(C)nn(C)c2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2281998461 PCCYKSUBRMKBGN-UHFFFAOYSA-N 462.400 2.405 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](NC(=O)c3ncc(B4OC(C)(C)C(C)(C)O4)cn3)CC[C@H]2C1 2282031845 YMAQEKLZSXGBKB-UAGQMJEPSA-N 458.368 2.151 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H](NC(=O)c3ncncc3B3OC(C)(C)C(C)(C)O3)C[C@H]2C1 2282172441 XAXACRGFANPCPX-ZSHCYNCHSA-N 458.368 2.151 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)c3ncncc3B3OC(C)(C)C(C)(C)O3)C[C@@]2(C)C1 2282188237 SQEHAOSULBDWPQ-WNSKOXEYSA-N 458.368 2.105 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C2(CCC2)C1 2282192248 UWJWWXGWJDPPGA-HNNXBMFYSA-N 458.368 2.438 30 10 JEEE CC1(C)OB(c2cc(Cl)c(S(=O)(=O)N3CCC4(C3)OCCO4)c(Cl)c2)OC1(C)C 2282489042 FIOISEVRPVAOJH-UHFFFAOYSA-N 464.176 2.430 30 10 JEEE C[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282498104 YZKBGPZVUFQOCB-JSGCOSHPSA-N 496.382 2.409 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@H](CCNC(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)C1 2282514406 CNBKASZKEYYKIA-MRXNPFEDSA-N 461.368 2.137 30 10 JEEE CCc1nn(C)c(C(=O)N[C@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2282560134 MCJDOHXHTRWIBE-LSDHHAIUSA-N 462.400 2.457 30 10 JEEE C[C@H]1C[C@@H](NC(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)CCN(C(=O)OC(C)(C)C)C1 2282564884 AVDHBGBVYONCPC-HOTGVXAUSA-N 462.400 2.485 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H](NC(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)C[C@]2(C)C1 2282586800 DFKXYSJFWHXCNP-JIQFQSSQSA-N 460.384 2.474 30 10 JEEE Cc1c(C(=O)N2CC[C@]3(CCN3C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282592756 HPKPZGMQMYLUMO-QHCPKHFHSA-N 460.384 2.253 30 10 JEEE Cc1c(C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282592841 IQLHGZFDTSFPIY-ZBFHGGJFSA-N 462.400 2.403 30 10 JEEE Cc1c(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282598632 MGJQWNLTSMEJAO-GOEBONIOSA-N 462.400 2.403 30 10 JEEE CC(C)(C)OC(=O)N1CC2(CCOCCN2C(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)C1 2282614549 JDSSFPRLJGJUSQ-UHFFFAOYSA-N 479.408 2.294 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@H]2CCN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)c[nH]3)C[C@@H]21 2282647207 YTXKCEWKDUEWPB-ZWKOTPCHSA-N 461.368 2.164 30 10 JEEE Cc1nc(S(=O)(=O)N(Cc2ccccc2)[C@H](C)C(C)(C)O)c(B2OC(C)(C)C(C)(C)O2)n1C 2282872332 VBXVZYVDXAYCSP-MRXNPFEDSA-N 477.436 2.378 30 10 JEEE CC1(C)OB(c2cnc(NC(=O)[C@](C)(NC(=O)C(F)(F)F)C(F)(F)F)c(F)c2)OC1(C)C 2284015124 JFBGAHOKYZHPPU-HNNXBMFYSA-N 473.154 2.458 30 10 JEEE CC1(C)OB(c2ccccc2CS(=O)(=O)N[C@H](COCc2ccccc2)C(=O)O)OC1(C)C 2284395128 IAVUSZUAASMSRA-HXUWFJFHSA-N 475.372 2.075 30 10 JEEE Cc1nn(C)c(C(=O)N2C[C@H]3C[C@@]3(CNC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2288265231 NTWLIJZZRPXGCA-IQMFZBJNSA-N 460.384 2.015 30 10 JEEE Cc1cccc(N2C(=O)C(=Cc3ccc(CN(CCC#N)S(C)(=O)=O)o3)C(=O)NC2=S)c1 2297462994 WDKFTCRFTLQEFF-UHFFFAOYSA-N 472.548 2.095 30 10 JEEE NC(=O)CSc1nnc(Cc2ccccc2[N+](=O)[O-])n1N=Cc1ccc2c(c1)OCCO2 2328471417 OZTYHGVBRGUUSP-UHFFFAOYSA-N 454.468 2.008 30 10 JEEE CC(C)N1C[C@H](c2nnc(SCC(=O)NCc3ccco3)n2N=Cc2ccc(O)cc2O)CC1=O 2329022150 YNHOKXMPZFNWCC-MRXNPFEDSA-N 498.565 2.297 30 10 JEEE CC(=O)NCc1nnc(SCc2nc(O)c3ccccc3n2)n1N=Cc1ccc(O)c([N+](=O)[O-])c1 2330778001 DPDJBLNYZHCBII-UHFFFAOYSA-N 494.493 2.351 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](OCCN=c2cc(B3OC(C)(C)C(C)(C)O3)c(F)c[nH]2)C1 2345716653 ZHEVOFIYJQNIAA-HNNXBMFYSA-N 451.348 2.380 30 10 JEEE C[C@@H](CNC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1)N1CCN(C(=O)OC(C)(C)C)CC1 2362568576 WUOBYCPIYDGYJA-HNNXBMFYSA-N 480.440 2.113 30 10 JEEE Cn1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H]3CCC[C@H]32)c(B2OC(C)(C)C(C)(C)O2)n1 2367685262 QHSLVTNLIQOIHR-SJORKVTESA-N 460.384 2.333 30 10 JEEE Nn1c(N/N=C/c2ccc(O)cc2O)nnc1SCC(=O)Nc1cccc(Br)c1 20292264 RQBAQITVEXDNOG-DNTJNYDQSA-N 478.332 2.342 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 204866670 VQDFMFQAGBJNBR-DOTOQJQBSA-N 475.399 2.092 30 10 JEEE CC1(NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CN(C(=O)OC(C)(C)C)C1 225118282 UJKLYBMCRKWPLH-UHFFFAOYSA-N 452.382 2.274 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)NCc3ccccc3OCC(=O)NC[C@H]3CCCO3)cc2C1=O 515573311 QGWRWWPELHWAMS-LJQANCHMSA-N 477.517 2.073 30 10 JEEE C#CCN(C(=O)c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1)[C@H]1CCS(=O)(=O)C1 729330426 DRDHIXLDAKTOLH-FQEVSTJZSA-N 472.588 2.091 30 10 JEEE CCOc1ccc(-n2c(=C(C#N)C(=O)NCC(C)C)sc(=Cc3cnn4ccccc34)c2=O)cc1 729670609 YAOSTBJESVPBCZ-UHFFFAOYSA-N 487.585 2.221 30 10 JEEE C#CCOc1ccc(NC(=O)C(=O)N2CCN(C(=O)COc3ccc(Cl)cc3)CC2)cc1 731125763 NJNWBVLDQFKDSX-UHFFFAOYSA-N 455.898 2.040 30 10 JEEE N#Cc1c(NC(=O)CSc2nnc(NN=Cc3cccc(O)c3)n2N)sc2c1CCC2 1084264593 IUGRTKIKPZBGCQ-UHFFFAOYSA-N 454.541 2.296 30 10 JEEE C#CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1286324452 PWVIICUMKURWQQ-QZTJIDSGSA-N 481.619 2.013 30 10 JEEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCc1ccccn1 1286416544 SHAFSIGWBPDOKV-UHFFFAOYSA-N 453.594 2.353 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(N2CCOC2=O)cc1 1286423008 PJIQATKNOYSCPP-RUZDIDTESA-N 463.538 2.398 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1SCCc2ccccc21 1286446724 HFEUPLCVKNAAJT-UXHICEINSA-N 475.640 2.101 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCCS(=O)(=O)C1 1286453147 YADVAQIMSDSMHK-SFHVURJKSA-N 461.563 2.020 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCNc2ccccn2)CC1 1286485137 VZBVNEQDWKIYNX-UHFFFAOYSA-N 456.554 2.381 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](F)[C@@H](c2ccccc2)C1 1286629358 KXUWPHVZSHBBTE-KURKYZTESA-N 469.970 2.305 30 10 JEEE C=CCC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1286676075 VUORYFSVUAQXIS-UHFFFAOYSA-N 468.650 2.486 30 10 JEEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 1286700288 GSKJWNSWANVXGZ-AQNXPRMDSA-N 457.623 2.012 30 10 JEEE C=CCN(CC=C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(N(C)C)CCOCC1 1286756400 LXLKHXRCVCMKCC-UHFFFAOYSA-N 463.586 2.481 30 10 JEEE C=CCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1286771408 ORXQWWNWCJWEFH-KRWDZBQOSA-N 454.531 2.400 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cn(C)c3ccccc23)nnc1N(C)CC(=O)NC(C)(C)C 1286818198 DIWZSKHBGSIBQU-UHFFFAOYSA-N 472.615 2.389 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1286821524 ODMMEOXAWKCJMZ-KRWDZBQOSA-N 495.596 2.441 30 10 JEEE C[C@@]1(C#N)CCCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1288974029 AKJKVBBQKASUDE-LIRRHRJNSA-N 496.435 2.447 30 10 JEEE Cc1ccc(-c2nnc(N3CCN(Cc4ccc(C#N)cc4)CC3)n2CCS(=O)(=O)NC(C)C)o1 1289601788 GAAGTGOIIODCMT-UHFFFAOYSA-N 497.625 2.368 30 10 JEEE CCN(CC)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCCO2)CC1 1295335808 HNBKZIXPCXOORW-JOCHJYFZSA-N 465.602 2.376 30 10 JEEE CCOCc1nnc(N2CCN(c3c(C#N)cnc4ccccc34)CC2)n1C[C@@](C)(O)CCOC 1297270996 HEOGZGFKLJXGGV-VWLOTQADSA-N 479.585 2.349 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1300283584 NNQSILDDZUWZLI-XLIONFOSSA-N 453.547 2.254 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@@H]2CC23CCOCC3)c1 1300330540 CFAMGGKTFBMUOK-IBGZPJMESA-N 464.570 2.289 30 10 JEEE C#CCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(C(=O)NCCOC)CC1 1300398767 AMHVKWOOJVJKBC-UHFFFAOYSA-N 453.543 2.109 30 10 JEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1C[C@]1(C)COCCO1)[C@@H]1CCS(=O)(=O)C1 1300483987 QDTDNJCZHLACHB-WIYYLYMNSA-N 464.975 2.031 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCOc1ncccc1F)[C@@H]1CCS(=O)(=O)C1 1300488805 GXDDOUHLTCBFIV-GOSISDBHSA-N 485.541 2.194 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CC1(O)CCCCC1)[C@H]1CCS(=O)(=O)C1 1300489776 SANSGACCTJNGLG-KRWDZBQOSA-N 463.991 2.315 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CCc1csc(CC)n1)[C@H]1CCS(=O)(=O)C1 1300497976 FNUFGYDSBBAIIO-IBGZPJMESA-N 470.624 2.152 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc(OC(F)(F)F)cc1 1300509322 JPDXCRKXXFHLMI-OAHLLOKOSA-N 469.489 2.102 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2Cc2cccnc2OCCC)CC1 1300732317 MFJFDJBJNCTMMS-HXUWFJFHSA-N 452.559 2.328 30 10 JEEE C=C(C)CN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1CCS(=O)(=O)C1 1300914612 FOIAMDVLEPAHOA-GOSISDBHSA-N 459.620 2.289 30 10 JEEE C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1301012291 ADWQKXOXUABKCY-UHFFFAOYSA-N 458.954 2.406 30 10 JEEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(-c2n[nH]c(C)n2)cc1)C1CC1 1301314001 LEYKRFKQTGFYJG-AWEZNQCLSA-N 456.576 2.185 30 10 JEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC)c(Cl)c1)C1CC1 1301326971 JWZINKPDQNPCQC-LJQANCHMSA-N 482.006 2.476 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCC(CN2CCOCC2)CC1 1301491349 HIJMQSARSBTAEL-UHFFFAOYSA-N 458.994 2.449 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1301568795 KFKWGLRJFNBNJD-XLIONFOSSA-N 488.589 2.335 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)CCS(C)(=O)=O 1301576372 UMSRIFFPOHMYED-UHFFFAOYSA-N 468.645 2.324 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2ccc(C)o2)n1CCN1CCCS1(=O)=O 1301772028 BJIQEAOJMYUUBG-UHFFFAOYSA-N 484.582 2.407 30 10 JEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 1358919524 DSHOEASPMANKEJ-INIZCTEOSA-N 468.624 2.137 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1C[C@H](CC)OC)[C@@H]1CCS(=O)(=O)C1 1358957460 UXWZEWQXJQWCOP-CVEARBPZSA-N 484.420 2.098 30 10 JEEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CCc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1358957489 VETFDTJSWNUYQV-ZJSXRUAMSA-N 472.611 2.108 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H](C)c1ncc(C)s1)[C@H]1CCS(=O)(=O)C1 1358965420 VAQRLLLAYUCJSY-APWZRJJASA-N 470.624 2.459 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@H]1CCCCS1(=O)=O 1359022799 NDZDJRNLUQDHHL-NRFANRHFSA-N 468.583 2.184 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1c(C)noc1C 1359025138 DVWATHFGEQNLAI-LJQANCHMSA-N 474.562 2.326 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCNC(=O)C(C)C)CC1 1359042435 GKLPGQKIAVLSFL-UHFFFAOYSA-N 456.978 2.337 30 10 JEEE C#CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@H](C(=O)OC)C1 1359048182 IBORIHKWFIPZBF-MRXNPFEDSA-N 461.975 2.227 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 1359056253 BGTLWGRJHMLPBG-KDOFPFPSSA-N 480.578 2.076 30 10 JEEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2ccc(Cl)nc2C1 1359076592 GRRXDDWZMGYGRX-NSHDSACASA-N 475.800 2.408 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1359103637 QUIVUNDWFWHSKU-NTKDMRAZSA-N 486.592 2.188 30 10 JEEE C=CCn1c(-c2ccccc2Cl)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1359285977 IHBJASFTHZDXNT-INIZCTEOSA-N 451.980 2.415 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)[C@H]1CC[C@H](SCC)C1 1359326926 NEGNHIGKQGEZSA-IRXDYDNUSA-N 455.650 2.225 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CC[C@@H](CN2CCCCC2)C1 1359334099 SLXAULITXUZBSS-NRFANRHFSA-N 458.632 2.177 30 10 JEEE N#Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3cccc(Br)c3)CC2)cc1O 1463550809 HFQYLWUIZPGVSK-UHFFFAOYSA-N 450.314 2.173 30 10 JEEE C=C(Cl)C[C@@H](NS(=O)(=O)N(C)C1CCN(C(=O)OC(C)(C)C)CC1)C(=O)OCC 1464260565 VRZFVQPDRRIHEH-OAHLLOKOSA-N 453.989 2.226 30 10 JEEE COc1cc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@](C)(C#N)C2)ccc1C 1504093332 GBMXVRZOWUNUGB-NZQKXSOJSA-N 488.614 2.106 30 10 JEEE C#CCN(C)c1nnc(-c2ccccc2Br)n1CCN/C(O)=C1\N=CC=CC1=O 1507611798 MOSQFXMBTJRUTQ-HTXNQAPBSA-N 455.316 2.303 30 10 JEEE C#CCN(CC#C)c1nnc(COc2cc(C)ccc2C)n1CCN/C(O)=C1\N=CC=CC1=O 1507654435 FYWCRFCWEBIGLM-WCWDXBQESA-N 458.522 2.073 30 10 JEEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1Cc1cccc(C2OCCO2)c1 1507661285 RABITLOOUAEVIK-VWLOTQADSA-N 450.539 2.487 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2ccc(Cl)c(OC)c2)CC1 1507715449 BCXCUOGDGMZFKG-UHFFFAOYSA-N 456.978 2.174 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@]2(O)CCOC2)CC1 1507735355 UECGUWLUPLDKMH-JOCHJYFZSA-N 478.380 2.369 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3noc4c3COCC4)n2CCCCOC(C)C)CC1 1507738776 YGIHVSAPTPHUOK-UHFFFAOYSA-N 470.574 2.177 30 10 JEEE C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1507823255 YUCLJEBITYUOSJ-HNNXBMFYSA-N 462.352 2.378 30 10 JEEE C=C(C)Cn1c([C@@H]2COc3ccccc3O2)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1507830634 NSYFQVCLVRXTNG-PXNSSMCTSA-N 462.572 2.397 30 10 JEEE C=C(Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCNC(=O)C1)c1ccccc1 1507851334 LPXRNRDHFSOCSB-LJQANCHMSA-N 468.558 2.236 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1507915807 FJWVWJXKBXZVGF-QRVBRYPASA-N 468.668 2.132 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCCO1 1508003307 XVMWLNXIVZNSEH-LEWJYISDSA-N 475.615 2.373 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C[C@H]1CCOC1)C1CC1 1508073505 YEACEUPHFCCMFV-GOSISDBHSA-N 452.559 2.455 30 10 JEEE CCN(CC)c1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@H](CNC(C)=O)C2)cn1 1515526428 HASTXNJELMIQSA-HSZRJFAPSA-N 488.596 2.448 30 10 JEEE COc1ccc(CCn2c(Cc3ccccn3)nnc2N2CCO[C@H](C#N)C2)c(OC)c1OC 1518229777 HCXUSRUAFGGYDO-LJQANCHMSA-N 464.526 2.261 30 10 JEEE COCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(CC(F)(F)F)CC1 1519109557 CLYXTELHLKXXII-UHFFFAOYSA-N 465.524 2.469 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CC=CCO1)[C@@H]1CCS(=O)(=O)C1 1539206649 TXFSVHYDVKHYIS-HZPDHXFCSA-N 480.388 2.008 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCOc1cc(C)cc(C)c1)[C@@H]1CCS(=O)(=O)C1 1539229313 BLVMHHCGWVFIRJ-JOCHJYFZSA-N 496.637 2.462 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1539246499 MGGCWGCDXSPDMA-VXKWHMMOSA-N 456.529 2.236 30 10 JEEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCCN(C(C)C)C1 1539408836 FEMHSUHUMZDAHJ-HXUWFJFHSA-N 487.674 2.445 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccc(OCCCN(C)C)cc2)CC1 1539463276 XUJHYJXUOWHQMF-HSZRJFAPSA-N 452.603 2.264 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2CCS(=O)(=O)C(C)(C)C)CC1 1539475460 GVHHLEADBSWHLG-UHFFFAOYSA-N 475.590 2.263 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CCCN2CCCC2)CC1 1539482155 JJGIBPLLIVETNR-UHFFFAOYSA-N 452.578 2.460 30 10 JEEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(S(C)(=O)=O)CC1 1539497265 IRAWRHGONLOEKH-UHFFFAOYSA-N 472.434 2.416 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OC)c(OCC)c1 1539539348 SXSSKIUVAIJACV-OPAMFIHVSA-N 461.588 2.336 30 10 JEEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCN(CCOC)[C@H](CCC)C1 1539573987 GKCUVJDUNPOVEH-MRXNPFEDSA-N 457.417 2.262 30 10 JEEE C=C(Br)Cn1c(N(C)[C@H](C)CS(=O)(=O)CC)nnc1[C@]1(OC(C)C)CCOC1 1539610234 WPIZVVSLNROJCC-QAPCUYQASA-N 479.441 2.487 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)CC(C)(C)CN1CCOCC1 1539613088 ULJXXVROQRSETI-VQTJNVASSA-N 462.639 2.192 30 10 JEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC2(CCOCC2)C1 1539967172 OSLMYQCPLMWYRL-IBGZPJMESA-N 467.636 2.364 30 10 JEEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1540019588 KFZBWEDBBBHVDQ-FDDCHVKYSA-N 456.547 2.292 30 10 JEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)c2cc(OC)cc(OC)c2)CC1 1540803611 OTJALQRXMFJGKE-FQEVSTJZSA-N 459.543 2.295 30 10 JEEE CCC(O)(CC)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1546041576 HPXQTLBRNMSHQT-QFIPXVFZSA-N 495.628 2.023 30 10 JEEE COCCN(C)CCCn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1555522493 ATAWGMDRSAVRHH-YADHBBJMSA-N 454.575 2.200 30 10 JEEE C=CCS(=O)(=O)CCNC(=O)N1CC[C@H](C(F)(F)F)[C@@H](CNC(=O)OC(C)(C)C)C1 1564417262 QFGSELKQCSPIRO-KBPBESRZSA-N 457.515 2.322 30 10 JEEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 1587750169 TWKAHEUAONNYLC-UHFFFAOYSA-N 467.599 2.383 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CCOc1ccccc1C)[C@@H]1CCS(=O)(=O)C1 1588064778 PDOASSLKXMXHIZ-OAQYLSRUSA-N 465.579 2.278 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1CC[S@@](=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1588069263 KQWCUYILFWYWKE-AYLZSAKASA-N 492.667 2.339 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2CCCN2CCCO[C@@H](C)C2)CC1 1588908614 TXOMATHXZDGQJS-NRFANRHFSA-N 494.640 2.420 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC)n2C[C@H](C)N2CCN(c3ccccc3)CC2)CC1 1588946734 HXDNGKDAIRGEFA-NRFANRHFSA-N 463.630 2.017 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1589482776 LGVATVLSPWWRCG-SJORKVTESA-N 486.539 2.292 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2OC)nnc1N(C)CC(=O)N1CCOCC1 1589567201 BSGUKMAWJFQBOJ-DVECYGJZSA-N 485.585 2.142 30 10 JEEE C=C(C)COCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CCS(C)(=O)=O 1593740917 GLSUBASCOLYRJH-SFHVURJKSA-N 485.651 2.466 30 10 JEEE C=C(C)COCCn1c(N2CCOC3(CCOCC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1593769124 LPNYTTCMCLEFGP-QHCPKHFHSA-N 450.580 2.297 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N(Cc1ccnn1C)C1CC1 1595490488 TUQXLTQSEUFMEH-UHFFFAOYSA-N 459.352 2.240 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCN(CCN2[C@H](C)CC[C@H]2C)CC1 1595772965 KSXLKTWFGNIDOW-WOJBJXKFSA-N 490.674 2.442 30 10 JEEE CC(C)NC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 1610044369 IFJKOIIUEQQSFK-SFHVURJKSA-N 464.530 2.426 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1Cc1ccnc(N2CCCCC2)c1 1611658617 GRBOZXIPNQBNAX-IAGOWNOFSA-N 460.608 2.060 30 10 JEEE CCOc1ccccc1OCc1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@H](C)N1CCOCC1 1616472999 FDAVDONFJVZFRP-FDDCHVKYSA-N 458.538 2.418 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCCN(C(=O)c3ccsc3)CC2)s1 1625249111 QERXKJFWXHVYNN-UHFFFAOYSA-N 453.611 2.191 30 10 JEEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN(Cc3cc(OC)cc(OC)c3)CC2)c1 1630842008 ZTDMBPZTJQEZFU-UHFFFAOYSA-N 459.568 2.126 30 10 JEEE COc1ccccc1NC(=O)COc1ccc(C(=O)N2CCN(CCC#N)CC2)cc1OC 1642915547 CWJJTGXGIHXGIH-UHFFFAOYSA-N 452.511 2.393 30 10 JEEE C[C@H](NCC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)c1ccc(N2CCNC2=O)cc1 1659120979 IAZQKPFNMJKRPR-FXAWDEMLSA-N 452.584 2.337 30 10 JEEE C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@H](O)c2cc(Cl)c3c(c2)OCCO3)c1 1668257471 PFAOOKZCQZLWCN-KRWDZBQOSA-N 452.916 2.039 30 10 JEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCOc1ncccc1F 1689949357 ZYHNPKHPIUQFPN-UHFFFAOYSA-N 457.535 2.229 30 10 JEEE C#CCN(c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1689983699 FOVJWDPWWVUPJD-SJLPKXTDSA-N 462.572 2.014 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(F)ccc2Br)n1C[C@]1(O)CCO[C@H]1C 1690095491 RRTPZFJRPUQJFQ-VBKZILBWSA-N 467.339 2.473 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCOC3)n2Cc2nc(C)c(C)s2)n1 1690108954 AEUCBIYHIRLAHT-GOSISDBHSA-N 455.588 2.386 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC(=O)NC2CCCCC2)CC1 1690140238 RKJALRXSXVHAFR-UHFFFAOYSA-N 484.004 2.408 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCS(=O)(=O)CC1 1690238834 OEXTUIYYCVHGDA-OXQOHEQNSA-N 462.572 2.178 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(OCC(N)=O)CC1 1690241613 VBYILWIKPIRSFH-UZUQRXQVSA-N 485.585 2.414 30 10 JEEE C=CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1690454055 SKOCKQZFCYHTEO-SFHVURJKSA-N 474.587 2.193 30 10 JEEE C=CCN(CC=C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1(S(C)(=O)=O)CCC1 1690591857 XLNGKDWSFRBRFZ-UHFFFAOYSA-N 478.644 2.384 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1690727117 TYYRZGRWLUMPKF-UHFFFAOYSA-N 488.017 2.240 30 10 JEEE C=CCSCCn1c(Cc2cccnc2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1690748829 IOXWKNAJOYIUSI-FQEVSTJZSA-N 469.659 2.316 30 10 JEEE CC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2C[C@H](C)O[C@@H](C)C2)CC1 1690922956 DGASEDWHZBCNRU-OALUTQOASA-N 465.602 2.421 30 10 JEEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(C(N)=O)CCOCC1 1692660721 FHHOWYPSRLENKK-QZTJIDSGSA-N 489.621 2.413 30 10 JEEE CO[C@@]1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(CC(C)C)C(=O)[C@H]2C)CCOC1 1697225293 AGWZMXQQUHJTNN-HOYKHHGWSA-N 452.559 2.315 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CCc1ccc(S(C)(=O)=O)cc1 1705500125 GWLPBECQGKCIBH-MRXNPFEDSA-N 471.608 2.374 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CC(=O)N(C)CC)[C@@H]1CCS(=O)(=O)C1 1705562204 YUMWPJDAGCNOEW-WOJBJXKFSA-N 487.626 2.140 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1C[C@@]1(C)COCCO1)[C@@H]1CCS(=O)(=O)C1 1705562560 FPJOMFFJFXOMBU-IERDGZPVSA-N 482.965 2.170 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1ncc(CC)s1)[C@@H]1CCS(=O)(=O)C1 1705565617 IHSWSNCKBPOKPV-MRXNPFEDSA-N 456.597 2.342 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1CC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1705568356 LXOFYYPJQPJMAL-SFHVURJKSA-N 462.547 2.050 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCN1CC=CCC1 1705581327 YTNXIHSLQJLZTK-UHFFFAOYSA-N 455.566 2.400 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(N(C)C)CCSC1 1705582979 NYNBENYBYCAWQB-CYFREDJKSA-N 488.658 2.097 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCN1CC 1705583039 PETVAKIWPQITEB-WOJBJXKFSA-N 456.591 2.144 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C(F)(F)F)cc1C 1705612789 PCVWTSXBVZSPKB-GOSISDBHSA-N 485.532 2.446 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@@](C)(O)CCOC)CC1 1705635853 NOBJWNABDVNKLS-IBGZPJMESA-N 468.421 2.312 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2CCCCN2CCN(CC)CC2)CC1 1705637159 LNWONKBHFPGRTN-UHFFFAOYSA-N 465.646 2.127 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2CCOCC(F)F)CC1 1705649814 HKIZKAXWHYMTGG-UHFFFAOYSA-N 467.467 2.395 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1CCNC(=O)c1ccc(C)c(F)c1 1705666845 FJPHGYOFLGEFOT-XMMPIXPASA-N 452.534 2.384 30 10 JEEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1705689370 KELJULNQAXOZAZ-UHFFFAOYSA-N 496.435 2.117 30 10 JEEE C=C(Br)Cn1c(N(C)CCS(=O)(=O)CC)nnc1[C@]1(OC(C)C)CCOC1 1705691184 SJXPRISTNIACJX-KRWDZBQOSA-N 465.414 2.098 30 10 JEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1705729069 KBKOYIQXPIKEFL-UHFFFAOYSA-N 458.607 2.336 30 10 JEEE C=C(Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1)c1ccccc1 1705742838 HBWNHYIASGXNPW-OAQYLSRUSA-N 466.586 2.059 30 10 JEEE C=CC1CCN(c2nnc(C(=O)NC(C)C)n2CC[C@H](N2CCOCC2)C(F)(F)F)CC1 1705775469 ACFDRDXAYKOPPB-KRWDZBQOSA-N 458.529 2.472 30 10 JEEE C=CCCOCCn1c(CC)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)C2(CCS(=O)(=O)CC2)C1 1705831237 LEGJNJJHXGQRSS-GOSISDBHSA-N 497.662 2.342 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(c2cnccn2)CC1 1705933363 DSBWHVGLNBHBMF-UHFFFAOYSA-N 473.990 2.316 30 10 JEEE C=CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1705941516 MFFPFRPHJVOGBY-QGZVFWFLSA-N 479.628 2.154 30 10 JEEE C=CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CCOC)CC1 1705946689 OAQRYVYYULEJLB-LJQANCHMSA-N 496.678 2.274 30 10 JEEE CC(C)OC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCCS2(=O)=O)CCO1 1706687363 BJVMFHORGUVGIT-LEWJYISDSA-N 473.599 2.414 30 10 JEEE Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](c4cccc(C#N)c4)C3)n2CCC(=O)N(C)C)n1 1707833842 FUVBXOVSBXQQCT-OAQYLSRUSA-N 462.558 2.068 30 10 JEEE C[C@@H]1CN(c2ccc(Cn3c(-c4cccc(C#N)c4)nnc3N(C)[C@H](C)CC(N)=O)cn2)CCO1 1708152281 CBMQJPNPOYFWAL-QZTJIDSGSA-N 474.569 2.185 30 10 JEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1 1722324486 SIWGIVZHANTCNO-IAGOWNOFSA-N 482.651 2.431 30 10 JEEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CC1(CCC)CC1)[C@@H]1CCS(=O)(=O)C1 1722365349 NKMSNQUHWNCGAC-XMSQKQJNSA-N 450.605 2.137 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC1CCC(OC)CC1)[C@H]1CCS(=O)(=O)C1 1722368209 POONRTJEAUPZHD-KAXARAQCSA-N 450.605 2.004 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1Cc1ccc(N2CCOCC2)nc1 1722377105 PCESXJKTJVQSCR-UHFFFAOYSA-N 472.549 2.315 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCCCN2CCCC[C@H]2C)CC1 1722432890 IGNZPSYJZZPMJB-RCZVLFRGSA-N 458.651 2.340 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](c2cccnc2)C(C)C)CC1 1722441435 QEQVLQPCLJDNQA-JOCHJYFZSA-N 477.613 2.315 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2ccccc2OC(F)F)CC1 1722446286 QRJCHSHWFMQIND-UHFFFAOYSA-N 467.480 2.351 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCNC(=O)OC(C)(C)C 1722448313 PXXGZVVPPISNLN-UHFFFAOYSA-N 495.584 2.193 30 10 JEEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2nccc(OCC)n2)CC1 1722525208 TYQLOFWESLOUCH-UHFFFAOYSA-N 468.587 2.361 30 10 JEEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1722620098 IUFDOPUPOOCRDC-KRWDZBQOSA-N 450.584 2.455 30 10 JEEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1nccc(C(F)(F)F)n1)C1CC1 1722646016 CJAFTFQSRNIEPQ-LBPRGKRZSA-N 459.498 2.095 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2CCCCO2)n1C[C@@]1(N2CCOCC2)CCSC1 1722679554 FRBJCZKMDSPYDR-KNQAVFIVSA-N 451.637 2.366 30 10 JEEE C=CCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1722684287 GPWIHKGEHLSGSG-UHFFFAOYSA-N 491.390 2.476 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CCC(N2CCCC2=O)CC1 1722730084 IAMBZZCAXBYMPY-UHFFFAOYSA-N 487.626 2.358 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2CC2(C(=O)NCC)CCC2)c1 1740564274 HODNBCIUDHQEGU-LJQANCHMSA-N 464.570 2.145 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCCCN1CCC)[C@H]1CCS(=O)(=O)C1 1740625119 NYNNFYLZDPNPOT-YADHBBJMSA-N 487.674 2.031 30 10 JEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1CCC1(O)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1740625259 MXKHMNJHCWOTSP-HXUWFJFHSA-N 493.029 2.081 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(F)ccc3Br)n2CC(=O)NCC2CC2)CC1 1740693087 SZSODIWCBIEYRK-UHFFFAOYSA-N 475.366 2.128 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@@H]2CCCO2)CC1 1740708281 JXQZSBQZMLXWAQ-QFIPXVFZSA-N 451.571 2.217 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1740954970 KBGDTOJHVZRPAL-XDHUDOTRSA-N 468.558 2.359 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCC[C@@H](C(=O)NC)C1 1740956058 GAGNNXAAGDHVGY-GOSISDBHSA-N 478.553 2.382 30 10 JEEE C=CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1740997323 QJEMJRAYRVYXHX-UHFFFAOYSA-N 451.618 2.345 30 10 JEEE CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCOC2CCOCC2)[C@@H](C)C1 1741045411 IDQFXQJFNGLFMJ-SFHVURJKSA-N 452.559 2.459 30 10 JEEE CC(C)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)NC(C)C)[C@H](C)C1=O 1741560055 FNMHPOLTYPHVPL-GOSISDBHSA-N 451.575 2.425 30 10 JEEE Cc1nn(C)c(N2CCN(c3nnc([C@@H]4CCOC4)n3C[C@](C)(O)CCC(C)C)CC2)c1C#N 1742668990 HMCXGIVFIMKHKE-NTKDMRAZSA-N 470.622 2.209 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(NC(=O)C2CCC2)c1 1748639802 MJPASYDRTXMWDS-HZPDHXFCSA-N 458.588 2.133 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1CCn1c(O)nc2ccccc21)[C@H]1CCS(=O)(=O)C1 1748817376 JSOTYCZEBOAKNR-KRWDZBQOSA-N 470.599 2.249 30 10 JEEE C#CCN(CC)c1nnc(-c2cc(Br)cn2C)n1CCS(=O)(=O)CC1CC1 1748912308 BWMMRWXALIHNAW-UHFFFAOYSA-N 454.394 2.330 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](CC)N1CCc2ccccc2C1 1748924949 AIKXORAINFRGGF-FGZHOGPDSA-N 455.628 2.477 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2CCN(C)CC(F)(F)F)CC1 1748999188 LNHPHEMWILDDPN-UHFFFAOYSA-N 450.509 2.415 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](COC)OC 1749068026 AONXYJYYZIQVEI-IUKKYPGJSA-N 463.579 2.240 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCCCO2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1749131485 SQMQSYYVGAOLLF-FUDKSRODSA-N 474.650 2.491 30 10 JEEE C=C(C)Cn1c([C@H]2CCOC2)nnc1N1C[C@H](NC(=O)OC(C)(C)C)C2(CCS(=O)(=O)CC2)C1 1749193447 JKHPWCTZUOKWTO-ROUUACIJSA-N 495.646 2.266 30 10 JEEE C=C1CCN(c2nnc(COc3ccc(Br)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1749312652 RCZSWKWYJIDXSA-FQEVSTJZSA-N 497.415 2.326 30 10 JEEE C=CCCOCCn1c(-c2cc(Br)cn2C)nnc1N1CCN(C(=O)NCC)CC1 1749445415 NROCXURKCLQOJC-UHFFFAOYSA-N 480.411 2.490 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(CC)[C@@H](C)C1 1749725948 WJKJTOWXERHIPM-KRWDZBQOSA-N 463.604 2.094 30 10 JEEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 1749743707 AFCONNUUNYUKOU-CVEARBPZSA-N 488.680 2.253 30 10 JEEE CC(C)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)CC2CC2)CC1 1750837213 AGYCNNGUBRQAIL-UHFFFAOYSA-N 456.616 2.420 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(Oc2ccccc2)nc1 1760117384 OEVLQJSUMXVNDL-NQIIRXRSSA-N 496.593 2.305 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1cccc(COC)c1)[C@H]1CCS(=O)(=O)C1 1760185418 WYVHARSPJRMAQY-FQEVSTJZSA-N 451.552 2.162 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN(CCC)C(=O)OC(C)(C)C 1760232729 CPNHVSBWDRVZOF-KRWDZBQOSA-N 453.609 2.287 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1c(C)cccc1C 1760296024 XTXZVWBGEAFLTN-ZJSXRUAMSA-N 471.627 2.463 30 10 JEEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCO[C@@H]1CCOC1 1760464024 WSHDKDWWCMRQRZ-MSOLQXFVSA-N 451.568 2.404 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@]1(C)COCCO1 1760480006 HWWJRNQYMHSMHI-NZQKXSOJSA-N 471.583 2.050 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCOC2(CCCC2)C1 1760514399 DPDPEOSHYBEHQX-UHFFFAOYSA-N 472.977 2.313 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1760517370 KTXRNBCEJQPOAB-UHFFFAOYSA-N 495.462 2.050 30 10 JEEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1760527335 SRPBWTSKMBJTIX-IBGZPJMESA-N 451.531 2.025 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(N(C)C)c(F)c2)C1 1760543634 QLEAKNKRAJJGPA-ZWKOTPCHSA-N 463.579 2.215 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1760555941 QUNPZKWGLXGGNS-GOSISDBHSA-N 483.635 2.266 30 10 JEEE CC(C)(C)[S@@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1760804402 DGZRFIMJAWHFHX-DHUJRADRSA-N 497.669 2.108 30 10 JEEE N#C[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cc(Cl)ccc2OC(F)F)CCO1 1770747175 GQKIGBRKIFNTSD-DOMZBBRYSA-N 487.916 2.212 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1772660007 SITIDMCOPKBGKJ-KKSFZXQISA-N 482.006 2.369 30 10 JEEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@H]2c2ccc(O)c([N+](=O)[O-])c2)ccc1F 1862509016 VMINYLVBEUJYLJ-IBGZPJMESA-N 457.414 2.462 30 10 JEEE COc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCNC(C)=O)c1 1862606600 VTFGHINXADWZKM-NRFANRHFSA-N 452.463 2.181 30 10 JEEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1ccccc1[N+](=O)[O-] 1862629931 IGRIEWACCUUQCC-LJQANCHMSA-N 453.407 2.038 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCO)[C@@H]2c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1F 1862648303 XOEZMYSTXLPUEW-LJQANCHMSA-N 474.397 2.084 30 10 JEEE CN1C(=O)c2ccc(-n3nnc(C#N)c3NC(=O)Cc3ccc(Br)cc3)cc2C1=O 1870148372 JZXRGGQXHWABHN-UHFFFAOYSA-N 465.267 2.308 30 10 JEEE COc1ccc(N2C[C@@H](c3nnc(SCC(N)=O)n3/N=C/c3ccccc3)CC2=O)cc1 1874199630 SNYFCNOVMRKVOF-SOAGAIGUSA-N 450.524 2.267 30 10 JEEE CC(=O)NCc1nnc(SCC(=O)Nc2nccs2)n1/N=C/c1cc(Cl)ccc1O 1874433325 KLJPHYMOYPGCNB-QPSGOUHRSA-N 465.948 2.343 30 10 JEEE O=C(NCC#CCN1CCc2ccccc2C1)[C@@H]1CCCN1S(=O)(=O)c1ccccc1F 1891414633 RWPIMINFGNCBOK-QFIPXVFZSA-N 455.555 2.157 30 10 JEEE CC1(C)OB(c2ccnc(NS(=O)(=O)CCCCN3C(=O)c4ccccc4C3=O)c2)OC1(C)C 2029312327 RGKFPQSNFNXZQJ-UHFFFAOYSA-N 485.371 2.199 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1 2124534764 UBAQTKMBIGPKBP-INIZCTEOSA-N 472.413 2.105 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)NCCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2180979737 AHAWJBPEOAMTEM-IBGZPJMESA-N 460.380 2.280 30 10 JEEE CC1(C)OB(c2nscc2C(=O)NC[C@H]2CN(C(=O)OCc3ccccc3)CCO2)OC1(C)C 2255844157 RNNYQBFBEMJBDC-KRWDZBQOSA-N 487.387 2.210 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)C1CCCC1 2256670628 HBJMCYRPLMIMFD-CYBMUJFWSA-N 452.386 2.281 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2C[C@@H](NC(=O)OC(C)(C)C)CC[C@@H]2C(=O)O)C1 2266509926 KGIOVIJDBYNEJA-NFMKCMLSSA-N 465.547 2.262 30 10 JEEE CCO[C@@H]1C[C@H](NC(=O)OC(C)(C)C)[C@H]1NC(=O)c1coc(B2OC(C)(C)C(C)(C)O2)c1 2267196636 RQMXEOHIDHVWQN-ZMSDIMECSA-N 450.341 2.379 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@H]1CNS(=O)(=O)Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2267709256 YLORIXGUZZGBMG-WMZOPIPTSA-N 466.409 2.318 30 10 JEEE CC[C@@](COC)(NC(=O)OC(C)(C)C)C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2268642072 QJEZILLKVAUQDH-NRFANRHFSA-N 469.413 2.378 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H]1C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2268642470 SUYRIXJLVIHCFG-WMLDXEAASA-N 450.316 2.434 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@](O)(C(=O)NCc2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2268787323 TZPOHRWQUJOGQC-JOCHJYFZSA-N 466.409 2.426 30 10 JEEE Cn1cc(C(=O)N[C@H]2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)nc1B1OC(C)(C)C(C)(C)O1 2282036617 LIFAMGRCXRMJQR-ZSHCYNCHSA-N 460.384 2.095 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C12CCC2 2282039963 CHBOUUXASFCGBQ-MRXNPFEDSA-N 460.384 2.381 30 10 JEEE Cn1cc(C(=O)N2[C@H]3CC[C@H]2CC(NC(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)n1 2282060268 UOUFWNSMZNIIQZ-HOTGVXAUSA-N 460.384 2.380 30 10 JEEE CC(C)(C)OC(=O)N1[C@H](CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)COC1(C)C 2282190951 TVDIEHILIBUFRF-MRXNPFEDSA-N 461.368 2.483 30 10 JEEE Cc1nn(C)c(C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C2)c1B1OC(C)(C)C(C)(C)O1 2282558194 GODACUIMEBVKED-ZBFHGGJFSA-N 462.400 2.403 30 10 JEEE CC[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2282573187 WNUYYHQOSBBIJT-RDJZCZTQSA-N 462.400 2.485 30 10 JEEE Cc1cc(C(=O)N2CC[C@](NC(=O)OC(C)(C)C)(C(=O)O)C2)oc1B1OC(C)(C)C(C)(C)O1 2282582940 CHSXMABRIBPFIG-JOCHJYFZSA-N 464.324 2.081 30 10 JEEE CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282608944 BJDDTZRLYPMZRR-CVEARBPZSA-N 481.786 2.398 30 10 JEEE Cn1nc(C(=O)NC[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2(C)C)cc1B1OC(C)(C)C(C)(C)O1 2282615538 ZPWVFQPEFYPXOD-ZBFHGGJFSA-N 462.400 2.389 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)[C@@H]2CCC[C@H]21 2282691937 PWWACVKIHRXLPX-BHYGNILZSA-N 458.368 2.294 30 10 JEEE COCC[C@H](CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1)NC(=O)OC(C)(C)C 2282868488 NZQMKLYGJDGDAM-QGZVFWFLSA-N 484.424 2.194 30 10 JEEE CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccccc1B1OC(C)(C)C(C)(C)O1 2283966863 XQEPTPSYZOTKGA-QGZVFWFLSA-N 462.352 2.058 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2OCC[C@]2(C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)C1 2296392218 NUMQYGINZXHWEN-NYHFZMIOSA-N 479.408 2.085 30 10 JEEE COC(=O)c1[nH]c(C)c(C(O)=C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc([N+](=O)[O-])cc2)c1C 2297060056 ZMXGVFFHFBSXIM-IBGZPJMESA-N 470.482 2.310 30 10 JEEE CC(C)(C)N1C[C@H](c2nnc(SCC(N)=O)n2N=Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1=O 2327829830 DQKXHEAEYLFWDW-GFCCVEGCSA-N 479.950 2.414 30 10 JEEE COc1cc(C=Nn2c(CNC(C)=O)nnc2SCC(=O)N[C@H](C)c2ccccc2)ccc1O 2330791451 ZYKKVONTYGLMCW-OAHLLOKOSA-N 482.566 2.480 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1NC(=O)[C@@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C 2360641299 SSMLODIPWHSFMT-QGZVFWFLSA-N 482.408 2.171 30 10 JEEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1CCNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2362346565 TZFGGTCHSPHNIM-CVEARBPZSA-N 462.400 2.342 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](O)[C@@H]1CNc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2365061434 UUYBAMTYIVQKDW-ATUUTBNLSA-N 461.368 2.479 30 10 JEEE COc1ccc([C@H]2c3c(nc(NCc4ccc5c(c4)OCCO5)[nH]c3=O)NC(=O)[C@@H]2C#N)cc1OC 72472447 WNUCTWPZYAFNSL-FOIQADDNSA-N 489.488 2.394 30 10 JEEE C=CCc1cc([N+](=O)[O-])ccc1OCC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 513570668 CWSSKJVVLMUULF-JOCHJYFZSA-N 467.478 2.213 30 10 JEEE CNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccccc1-c1ccccc1 729668669 BSXZDYJWNHTJTD-UHFFFAOYSA-N 477.549 2.463 30 10 JEEE COc1cc2c(cc1OC)CN(C(=O)CSc1n[nH]c(NN=Cc3ccc(O)cc3O)n1)CC2 1084144709 OQGXIZLVSPZFET-UHFFFAOYSA-N 484.538 2.356 30 10 JEEE COc1ccc(CNC(=O)CSc2nnc(NN=C(C)c3ccc(OC)c(OC)c3)n2N)cc1 1084618407 ZZNYPZBVJSJTIM-UHFFFAOYSA-N 485.570 2.262 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1C(F)(F)F 1286297989 ZNICLTVRVIQHMM-RHSMWYFYSA-N 471.505 2.136 30 10 JEEE C#CCCCn1c(-c2ccc(OC)cc2OC)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1286346197 WUZABLLVXFBNDJ-UHFFFAOYSA-N 461.588 2.236 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccccn2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1286425350 JOLMFPJTLJMKEO-PZJWPPBQSA-N 452.584 2.007 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2ccc(C)cc2)CC1 1286608229 NSYQFBZIJPFCLY-OAQYLSRUSA-N 487.626 2.044 30 10 JEEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1286692478 GROUBFHCLFIHNF-IBGZPJMESA-N 459.616 2.473 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CCC(=O)NC(C)C)C1 1286804284 MESQKFHIJONAQY-SFHVURJKSA-N 489.646 2.243 30 10 JEEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1286827846 CXFFQLYOTFAQRK-UHFFFAOYSA-N 487.655 2.250 30 10 JEEE C#CCC1(NC(=O)CCc2nc3c(c(O)nc(=O)n3CCCC)n2CC(C)C)CCOCC1 1288974716 PBGLTTVJJHZJRF-UHFFFAOYSA-N 457.575 2.376 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@]2(OC)CCOC2)c1 1300332161 YTMGEMNXHDZXSA-FTJBHMTQSA-N 497.596 2.180 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@H](CC)OC)[C@H]1CCS(=O)(=O)C1 1300484443 SGDQTTVSELNTSL-GJZGRUSLSA-N 470.393 2.087 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1Cc1ccc(CN2CCC(O)CC2)cc1)[C@@H]1CCS(=O)(=O)C1 1300485076 UDHZZZUFGUPKCH-NFBKMPQASA-N 499.681 2.423 30 10 JEEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@](C)(O)c1ccco1 1300545459 QKDHNRQGQHWLHU-HHHXNRCGSA-N 472.593 2.216 30 10 JEEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(N(C)C(=O)OCC)CC1 1300843354 AFQLUUNVSUBQOT-CQSZACIVSA-N 455.357 2.195 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(CCOC)C(=O)C1 1300878024 ZHYKHKNEZIYAFL-MBSDFSHPSA-N 485.585 2.239 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(CCOCC)CC1 1300889281 BMHKTGYOWUGRQI-JTHBVZDNSA-N 457.623 2.279 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCOCC2)c(F)c1 1300900629 QUTFQZIGEIPYTQ-KRWDZBQOSA-N 480.610 2.315 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(c2nccnc2C)CC1 1301482716 AYHGERYFSMXWSK-UHFFFAOYSA-N 484.511 2.274 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)C1CCCCC1 1301589603 UMWYLCNRQLDSEQ-FUHWJXTLSA-N 458.650 2.186 30 10 JEEE CC[C@H](C)N(C)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@@](F)(C#N)C1 1305611950 APOJJHUYLMSQET-HRAATJIYSA-N 462.599 2.410 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc3cccnc23)n1CC1(CS(C)(=O)=O)CC1 1359021433 OLRPQHOHUPKMHD-UHFFFAOYSA-N 453.568 2.404 30 10 JEEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1359089598 LMCWTMMEQCFRQV-JCGIZDLHSA-N 467.412 2.027 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2COc3ccccc3O2)nnc1N(C)CCS(C)(=O)=O 1359099124 KFUGKXZCCVOKAL-DBVUQKKJSA-N 462.572 2.253 30 10 JEEE C=C(C)COCCn1c(CC(C)(C)C)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1359133833 AKRIEPZFNMGGEM-UHFFFAOYSA-N 479.651 2.012 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1359188712 SVADRFNNTDDGKQ-WOJBJXKFSA-N 481.663 2.405 30 10 JEEE C=CCCOCCn1c(CC(C)(C)C)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1359228266 YLAPRGOHPLAQDY-IBGZPJMESA-N 469.652 2.090 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN(C(=O)Cc2ccccc2C)CC1 1359303604 VBLOEESOBIWPJN-UHFFFAOYSA-N 478.622 2.432 30 10 JEEE C[C@@H](CN1CCOCC1)Cn1c(CC(C)(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1360605950 IDCGEHKLSBZROE-PMACEKPBSA-N 481.649 2.212 30 10 JEEE CCOC(=O)c1c(NC(=O)Cn2cc3c(c(C#N)c2=O)CCC3)sc(C(=O)N(C)C)c1C 1473024017 AYDVNBBBOGVBNP-UHFFFAOYSA-N 456.524 2.096 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N2CCC(Oc3cncc(Cl)n3)CC2)C1 1478402971 GVGJMIRTWXXQJU-ZFWWWQNUSA-N 450.927 2.442 30 10 JEEE CCc1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1498987160 GHWJUDSTRCIALC-GOSISDBHSA-N 458.588 2.041 30 10 JEEE CCC[C@@H](C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(N2CCNC2=O)CC1 1499986428 FSXTZENBTSFIBA-GOSISDBHSA-N 478.601 2.363 30 10 JEEE Cn1cc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2CCOc2ccc(S(C)(=O)=O)cc2)cn1 1503649760 HOPQWYHDEQEJQC-JOCHJYFZSA-N 469.571 2.291 30 10 JEEE C#CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(CC(C)C)C(=O)C1 1507561245 SDOYUPXFJUZAEF-UHFFFAOYSA-N 461.570 2.300 30 10 JEEE C#CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1507581419 VIPJFKILZJKRAO-UHFFFAOYSA-N 467.570 2.451 30 10 JEEE C#CCN(c1nnc(COCC)n1CCC(=O)Nc1cccc(Cl)c1C)[C@H]1CCS(=O)(=O)C1 1507637519 KZGYQXODZVJNNP-KRWDZBQOSA-N 494.017 2.432 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CC2(O)CC(OCC)C2)CC1 1507721955 VYFOJJXEEFDVSH-UHFFFAOYSA-N 483.613 2.426 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Cl)c3)n2CC2([S@](C)=O)CC2)CC1 1507734213 JACQZMDGSZKXBC-HKBQPEDESA-N 460.003 2.475 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCc2ccc(OC)cc2OC)CC1 1507739096 MSDAONAKULLCLD-FQEVSTJZSA-N 467.570 2.008 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(=O)COC)CC1 1507807819 WOPYMMMHGAIOIO-UZUQRXQVSA-N 475.540 2.423 30 10 JEEE C=C(C)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1507830512 CYTJJMNFMYPADI-NRFANRHFSA-N 454.575 2.357 30 10 JEEE C=C(Cl)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1507859856 DLMCFAQWCPNLLG-AWEZNQCLSA-N 453.952 2.192 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCC[C@H](N2CCCC2=O)C1 1508143713 JNOJSHZNBRFZEG-IBGZPJMESA-N 475.590 2.200 30 10 JEEE COCCN1C[C@@H](Cn2c(Cc3cccnc3)nnc2N(C)Cc2cccc(C#N)c2)CC1=O 1519219536 GDYNWOYFGZOJCX-QFIPXVFZSA-N 459.554 2.267 30 10 JEEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(CCOC(C)C)CC1 1539115700 GNXWMCJQVGGVAP-UHFFFAOYSA-N 463.586 2.152 30 10 JEEE C#CCN(c1nnc(-c2ccccc2)n1CCCN1C[C@H](C)O[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1539210849 GVLJWFKADCOZQJ-VWPQPMDRSA-N 471.627 2.071 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1CCOCCCC)[C@H]1CCS(=O)(=O)C1 1539212586 VYRBHNKQARRLCD-IBGZPJMESA-N 474.583 2.160 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1C[C@H](c1cccc(C)c1)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1539219694 LYBINTZLCSOYIX-DNQXCXABSA-N 499.681 2.485 30 10 JEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1CC1(N(C)C)CCC1)[C@H]1CCS(=O)(=O)C1 1539225069 LLCPXWOVPJGCBD-NRFANRHFSA-N 485.654 2.183 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccccn2)n1C[C@@H]1C[C@@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1539252999 JZHBNLIMBOJOJZ-SVFBPWRDSA-N 462.554 2.437 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCN1c1cnn(C)c1 1539288249 BFPOFMWXYMOSSC-OAQYLSRUSA-N 454.538 2.204 30 10 JEEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2CC(F)(F)C2(OC)CCOCC2)CC1 1539453616 AUSUBROKBXNUPN-UHFFFAOYSA-N 489.567 2.486 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](C)Oc2ccc(Cl)cc2)CC1 1539488114 HOKVLJGXTUVVMF-SFHVURJKSA-N 499.015 2.487 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCN(C)Cc2ccccc2)CC1 1539490684 ZIZRPWSCQRJALT-JOCHJYFZSA-N 450.587 2.227 30 10 JEEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1539505972 GKPLASVBORYUAV-QFIPXVFZSA-N 457.556 2.360 30 10 JEEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1539513631 LLNDMGBMPRSIOA-FQEVSTJZSA-N 470.599 2.428 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1539637607 RLUWIVCGAFBMCL-XMSQKQJNSA-N 474.631 2.153 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1540877105 KTEQMVOLJAXWEV-IIZPIQPGSA-N 450.543 2.048 30 10 JEEE CC(C)C(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2([S@](C)=O)CC2)CC1 1541269624 AWKVSUMNCGJCOB-YTTGMZPUSA-N 454.600 2.469 30 10 JEEE CCOC1CC(CCn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCO[C@H](C#N)C2)C1 1548013980 DNNZWILSMUGKOQ-NKELODKYSA-N 459.572 2.283 30 10 JEEE CNC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(F)cc2F)CCN1c1ccc(C#N)c(C(F)(F)F)c1 1548367721 JIFAYOYIBDPIFE-KRWDZBQOSA-N 488.438 2.481 30 10 JEEE CCC(=O)NCc1cc(S(=O)(=O)NCc2ncc(-c3cccc(C#N)c3)[nH]2)ccc1OC 1561414755 FKANWHCCJSPMDJ-UHFFFAOYSA-N 453.524 2.462 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)(C)C)n2CC(=O)NCC(F)(F)F)c1 1587684049 RMMKHGXTTKXBFN-UHFFFAOYSA-N 450.465 2.310 30 10 JEEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1(S(C)(=O)=O)CCCC1 1587905291 ZWICNVLHPZGGKQ-UHFFFAOYSA-N 463.991 2.288 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1c(F)cccc1F)N(C)C 1588228578 HJGSFMCBFVDVSM-YLJYHZDGSA-N 475.565 2.224 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(C)nc4ccccc34)n2CCCS(C)(=O)=O)CC1 1588891908 VBISHVGLMVYBAQ-UHFFFAOYSA-N 494.621 2.202 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2Cc2c(C)nn(C)c2C)CC1 1588899006 KIWFRTMPOUFPQL-UHFFFAOYSA-N 461.570 2.318 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCS(C)(=O)=O 1589663017 GHKWPYQLVNGJAC-MRXNPFEDSA-N 457.597 2.034 30 10 JEEE C=C(Cl)Cn1c(-c2ccc3c(c2)OCO3)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1593852053 KLXDBFYATZJUGC-INIZCTEOSA-N 468.963 2.456 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCOC1 1595239874 VSZZSBBEYYZRPA-FGZHOGPDSA-N 489.642 2.273 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N(C)Cc1ccccc1OC 1595789304 QPDVIGGXTWYTLI-UHFFFAOYSA-N 473.555 2.252 30 10 JEEE CO[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1)C(C)C 1618976692 GVOGIKLLXLRVIQ-QUCCMNQESA-N 460.604 2.253 30 10 JEEE N#CCC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCn2cc(Br)cn2)CC1 1620357198 CPRWBPWKWDVLLJ-INIZCTEOSA-N 496.435 2.360 30 10 JEEE Cc1cc(Br)cc(C)c1N1CCC[C@@H](NS(=O)(=O)N2CCO[C@@H](C#N)C2)C1 1622112930 GANNCHXHALXTPT-SJORKVTESA-N 457.394 2.094 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(CCn2ccnc2)C2CCSCC2)s1 1636348261 UPLYBKMYCCBZBY-UHFFFAOYSA-N 454.643 2.376 30 10 JEEE C#CCCCn1c(-c2cccc(Br)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1689915101 PSAIYMVODDCVDP-UHFFFAOYSA-N 452.378 2.203 30 10 JEEE C#CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1Cc1ccc(C(N)=O)nc1 1689955671 PEDKRQKEUPGLQV-UHFFFAOYSA-N 455.316 2.328 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1CC[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1689982297 KLAYPPUGECKMOI-DOTOQJQBSA-N 496.431 2.099 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc3cccnc23)n1C[C@H]1CCN(S(C)(=O)=O)C1 1690040961 VJFHEYWUXIYCNM-IBGZPJMESA-N 462.579 2.238 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cc(Br)cs2)CC1 1690144319 UOQUAFIFMFAICG-MRXNPFEDSA-N 491.415 2.067 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCOCCC=C)CC1 1690146683 UFUFUXUCMMMESK-JOCHJYFZSA-N 465.554 2.349 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@H]2CCN(CC)C2)CC1 1690152522 OBTMBEXXSAOGJK-OAQYLSRUSA-N 464.614 2.473 30 10 JEEE C#CCSCCn1c(-c2ccccc2OC)nnc1N1CCC(NS(=O)(=O)CC)CC1 1690168109 WVOCKWPXLZOZTJ-UHFFFAOYSA-N 463.629 2.228 30 10 JEEE C=CCN(c1nnc(-c2ccc(Br)s2)n1C[C@@]1(O)CCS(=O)(=O)C1)C1CC1 1690539897 QHUYWDLHJOAERA-KRWDZBQOSA-N 473.418 2.474 30 10 JEEE C=CCNC(=O)Cn1c(N2CCCO[C@H](c3ccccc3)C2)nnc1[C@@]1(OCC)CCOC1 1690677032 LCRDFTKNRPATDZ-GBXCKJPGSA-N 455.559 2.200 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H]2CC[C@H](CO)O2)C1 1690687981 LZGFHANGTWWCMP-IXDOHACOSA-N 466.380 2.367 30 10 JEEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](c2ccco2)C1 1690746788 JZRNOPSCBLQKMB-FUHWJXTLSA-N 467.617 2.117 30 10 JEEE Cc1ccc(CN(C)c2nnc(COc3ccc(C#N)cc3)n2CCNS(C)(=O)=O)s1 1693082710 GULTWBCQKZSMMN-UHFFFAOYSA-N 460.585 2.284 30 10 JEEE CCC[C@H](C)C(=O)NCCn1c(Cc2ccccn2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1695055200 DFMLNZQGADBALZ-FQEVSTJZSA-N 487.612 2.410 30 10 JEEE COC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1)OC 1697756755 GMYYIPYISPALBT-WOJBJXKFSA-N 486.573 2.208 30 10 JEEE C#CCCCCn1c(COc2ccc(OC)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1705520701 CLCQSDQBWHUTIK-SFHVURJKSA-N 461.588 2.139 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1(O)CC(OCC)C1 1705587867 MOJPKZQKYDEYGN-SZKUSEGLSA-N 457.575 2.052 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](c2ccsc2)N(CC)CC)CC1 1705632587 VGRNBNCHSYIBJU-HXUWFJFHSA-N 457.648 2.316 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CC[C@H]2COCCO2)CC1 1705636353 GTGPEXCBBQQUIG-NRFANRHFSA-N 469.586 2.302 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](c2ccc(CC)cc2)N(C)C)CC1 1705648051 PSTDLSBODUJAMY-PKTZIBPZSA-N 491.640 2.060 30 10 JEEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCO[C@@H](Cn2cccn2)C1 1705680394 AAGNOIIGJMYQNZ-JKSUJKDBSA-N 455.357 2.013 30 10 JEEE C=C(Cl)Cn1c(-c2cccn2C)nnc1N1C[C@@H]2[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1705751133 AWGIXHJUIFRSJN-HLLBOEOZSA-N 497.021 2.163 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1705898600 QXFQWVASLODIEU-UHFFFAOYSA-N 469.615 2.259 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N(C)CCN1CCOC(C)(C)C1 1705933214 XWJUYUMNYNTWQG-UHFFFAOYSA-N 461.632 2.401 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1705937612 YZHZBTLAFRHRSG-FQEVSTJZSA-N 454.600 2.392 30 10 JEEE CCNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCC[C@@H](C)C2)CC1 1710342820 CMBDHXWADQSWSG-HXUWFJFHSA-N 480.617 2.312 30 10 JEEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1Cc1cccc(S(=O)(=O)NC)c1 1722342928 DCIYQBGFZKUPJI-UHFFFAOYSA-N 477.388 2.072 30 10 JEEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1nnc(CC)s1 1722356475 OYBLCMVPCWIUOT-UHFFFAOYSA-N 450.616 2.174 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@](C)(O)[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1722364203 XWVOIUMNQYLXLH-YJLYGGOZSA-N 488.610 2.140 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc(OC)c(OC)c2OC)CC1 1722431879 UIEOYVAJPAEJMB-SANMLTNESA-N 499.612 2.148 30 10 JEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccc1Br 1722685487 HQGLPGZHLYCLQD-INIZCTEOSA-N 470.393 2.196 30 10 JEEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@H](OCC(C)C)C1 1722688494 DCWMCIUIBZRCLY-SFHVURJKSA-N 489.646 2.100 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(C#N)CC1 1722724449 XFZKSVXHXLLCDB-UHFFFAOYSA-N 453.366 2.376 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 1722729444 KVGBOWTXCNXOSS-KDOFPFPSSA-N 451.618 2.238 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN(C(=O)Cc2ccccc2C)CC1 1722729990 DODUILIWJLPWBP-UHFFFAOYSA-N 471.627 2.031 30 10 JEEE CCCNC(=O)CCn1c(-c2ccccc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1728189688 CVEUQMNLGGYZIC-SFHVURJKSA-N 459.558 2.238 30 10 JEEE CCO[C@@]1(c2nnc(N(C)Cc3cccc(C#N)c3)n2C[C@@H](C)N2CCOCC2)CCOC1 1728764868 GEMZAZNLUABSLM-DVECYGJZSA-N 454.575 2.159 30 10 JEEE COCCC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](c3cccc(C#N)c3)C2)CC1 1730639983 AFEYOACJUCEZDO-PXNSSMCTSA-N 488.614 2.155 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2C[C@@H]2CCCN2CCCO)c1 1740561346 CIBJKJINGHFYTQ-QFIPXVFZSA-N 475.597 2.187 30 10 JEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1740566125 CBBRKNCMRSHFPK-JKSUJKDBSA-N 452.606 2.035 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1740650811 OAVUCMDYHBYAGA-HXUWFJFHSA-N 499.637 2.485 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C3(c4ccccc4)CCC3)n2CC(=O)NCC=C)CC1 1740703575 XSNCJMZXOLZOQQ-UHFFFAOYSA-N 460.582 2.016 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC(CO)(Cc2ccccc2)CC1 1740989844 AOVRBZCFJGZRLG-UHFFFAOYSA-N 482.610 2.158 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1740994966 ZEWSQVKCQGZLPB-HSZRJFAPSA-N 489.598 2.106 30 10 JEEE C=CCSCCn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1740999485 JJCAXQYWLOUZIA-UHFFFAOYSA-N 491.061 2.499 30 10 JEEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 1741001200 NQCUVLXLSHGTKP-MRXNPFEDSA-N 460.629 2.481 30 10 JEEE CC(C)CN1CCO[C@@H](Cn2c([C@H]3CCC(=O)N3)nnc2N(C)Cc2ccc(C#N)cc2)C1 1741571504 FSJHPRPSRIEJJF-NHCUHLMSSA-N 451.575 2.094 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2CCN2CCOC(C)(C)C2)c1 1748692997 VATCUXICDFBKMA-OAQYLSRUSA-N 480.613 2.339 30 10 JEEE C#CCN(c1nnc(C(C)C)n1C[C@H](CC(C)C)NC(=O)OCC)[C@@H]1CCS(=O)(=O)C1 1748801698 DPSJGXCRLCFHJL-ZWKOTPCHSA-N 453.609 2.189 30 10 JEEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1cccc(OCC(C)C)c1)[C@H]1CCS(=O)(=O)C1 1748821417 QHCFOHKRFJKNPT-NRFANRHFSA-N 499.637 2.110 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccn2C)n1CCOc1ccc(S(C)(=O)=O)cc1 1748883286 ZSBGPKBRPRJJRL-UHFFFAOYSA-N 451.552 2.229 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1C[C@@H]1C[C@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1748886675 LGNWOHMFOSPPBJ-IRFCIJBXSA-N 477.569 2.222 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCNC(=O)C2CC2)CC1 1748979319 YIMIIGSBEMNJFV-FQEVSTJZSA-N 450.587 2.316 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2Cc2ccc(OC)nc2OC)CC1 1748999037 GFDSKDMKFPCIGI-UHFFFAOYSA-N 466.517 2.212 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)CC1 1749016378 CMLPOYRBTJHVAR-IBGZPJMESA-N 495.628 2.485 30 10 JEEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1ccc(CC)o1 1749037576 FUOFBDFOTSPZSB-QUCCMNQESA-N 493.655 2.474 30 10 JEEE C=C(Br)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1749090390 NZZQELWPTCZVHQ-LJQANCHMSA-N 480.388 2.116 30 10 JEEE C=C(Br)Cn1c(-c2noc3c2COCC3)nnc1N1CCC(S(=O)(=O)CC)CC1 1749097661 GUYUGYMYTDIJKF-UHFFFAOYSA-N 486.392 2.318 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](OCCOC)C1 1749117928 AKJDTDDSZTWNFA-NSHGMRRFSA-N 456.547 2.148 30 10 JEEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(Nc2cccnn2)CC1 1749211044 RBPVZOAQAPUUQP-UHFFFAOYSA-N 463.546 2.389 30 10 JEEE C=CCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCN(CC(=O)NCCOC)CC1 1749613744 HDHMEQUBSIIKTI-KRWDZBQOSA-N 458.632 2.202 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC[C@H](CNC(=O)c2ccccc2)C1 1749676221 JEDYCXLEWPEHJO-OAQYLSRUSA-N 473.581 2.213 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1749721624 PLTSCYKEMVJZKM-IAGOWNOFSA-N 471.624 2.122 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H]1CCc2ccccc21 1760235433 MNVZMUAOAFFKQO-PZJWPPBQSA-N 457.600 2.191 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cscc1C(F)(F)F 1760243004 UBNTYNYLBOTGPK-GFCCVEGCSA-N 465.523 2.103 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)SC 1760249175 ISDMNGGJDWOQIV-SJORKVTESA-N 453.609 2.424 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H]2C[C@H](C)O[C@H](C)C2)CC1 1760265971 NFQGCAGDHRRMJQ-ZDQHKECQSA-N 473.618 2.100 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCN(CCc2ccccc2)C1 1760290211 YXKDEVRTTMPEAF-NIRIFSCTSA-N 484.670 2.445 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1760318138 DOWXSZANPQLFLK-HFSMHLIXSA-N 475.615 2.405 30 10 JEEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(C1)OCc1ccccc12 1760352870 ZOEYSBHSWNMQTN-JTSKRJEESA-N 461.588 2.117 30 10 JEEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1CCN(Cc2ccccc2)C1 1760374344 MVEQTNLYYWZACC-VQTJNVASSA-N 495.049 2.074 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CCC(N(C)C(C)=O)CC1 1760514851 HCVJKRVQTFFIIZ-UHFFFAOYSA-N 475.391 2.457 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1760519873 SHZRJIDIJOSKJY-UHFFFAOYSA-N 476.629 2.114 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCNC(=O)[C@H]1CC 1760532108 LCSQBQABCRKGCD-GOSISDBHSA-N 461.526 2.253 30 10 JEEE CCN(CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1)C(=O)OC(C)(C)C 1765231828 ALYYWTVPIJTSFG-LJQANCHMSA-N 480.573 2.288 30 10 JEEE CCN(CC)CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC2(O)CCC2)CC1 1766647911 BSFMONDFNAHSPP-UHFFFAOYSA-N 465.602 2.112 30 10 JEEE CNC(=O)[C@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCc2nc(C)no2)C1 1767625158 BBMFTCAEBSJMQZ-HSZRJFAPSA-N 464.530 2.015 30 10 JEEE CSCC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)ON1C(=O)c2ccccc2C1=O 1772792356 LOLNRHXBDNLYJO-INIZCTEOSA-N 468.940 2.494 30 10 JEEE CN(C)C=NC(=S)N(C(=O)[C@H]1CC(=O)N(C2CCN(C)CC2)C1)c1ccc(Cl)cc1 1852701886 FRVQRVTVIWTMKX-HNNXBMFYSA-N 450.008 2.491 30 10 JEEE C#CCOC(=O)NS(=O)(=O)c1ccc(CCNC(=O)/C=C/c2ccc(OC)c(OC)c2)cc1 1859011575 KWPBLJUJCVLIGK-XYOKQWHBSA-N 472.519 2.124 30 10 JEEE COc1ccc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2CCN2CCOCC2)cc1O 1862737481 HFOHXVILOCOVDX-OAQYLSRUSA-N 483.477 2.220 30 10 JEEE CCOC(=O)N1CCN(C(=O)[C@H](CC)NC(=O)C2CCN([C@H](C#N)c3cccs3)CC2)CC1 1868795650 MODGJMCESRFDPQ-RBUKOAKNSA-N 475.615 2.220 30 10 JEEE N#Cc1nnn(-c2ccc(F)c(F)c2)c1NC(=O)CN1C(=O)c2ccc(Br)cc2C1=O 1870155388 KMASMGNNZNVVMG-UHFFFAOYSA-N 487.220 2.414 30 10 JEEE COc1ccc(CNC(=O)Cc2nonc2OCC(=O)Nc2sc3c(c2C#N)CCC3)cc1 1872649663 IVFDQRAMDUHCLV-UHFFFAOYSA-N 467.507 2.376 30 10 JEEE CCOc1ccc(OCc2nnc(SCC(N)=O)n2/N=C/c2ccc(O)c(OC)c2)cc1 1874235628 SAUCSZPSLQLJSD-FOKLQQMPSA-N 457.512 2.430 30 10 JEEE NC(=O)CSc1nnc(CCOc2ccccc2)n1/N=C/c1cc2c(cc1[N+](=O)[O-])OCCO2 1874344246 DLFNMBMRSSTRHO-FSJBWODESA-N 484.494 2.039 30 10 JEEE CC(C)N1C(=O)CS[C@@H](C(=O)NCc2nnnn2-c2ccccc2)[C@@H]1c1ccc(C#N)cc1 1891717586 MJBQXSJZCRFTCX-FCHUYYIVSA-N 461.551 2.244 30 10 JEEE CCn1c(=O)c2cc(S(=O)(=O)N3CCC(C#N)(c4ccccc4)CC3)ccc2n(CC)c1=O 1892200031 SEIHOESHTRYTSO-UHFFFAOYSA-N 466.563 2.449 30 10 JEEE CN1C[C@H](C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)c2)N(C(=O)OC(C)(C)C)CC1=O 2180981227 RRIJBAIREYGMRV-QGZVFWFLSA-N 459.352 2.002 30 10 JEEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(S(N)(=O)=O)cc1Br 2181110225 MIOLKQUKPSPEFY-CQSZACIVSA-N 460.350 2.342 30 10 JEEE Cc1c(C(=O)NCC2CN(C(=O)OCc3ccccc3)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2255627419 SQIXOBAHYYHKDZ-UHFFFAOYSA-N 468.363 2.026 30 10 JEEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)NCC(=O)NCc2ccccc2)OC1(C)C 2255955276 LIELFGLWGKDYGX-UHFFFAOYSA-N 464.780 2.234 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2256618468 QJUKSUWIJTZBQZ-QWHCGFSZSA-N 452.386 2.281 30 10 JEEE C[C@@H](O)CN(CCNC(=O)OC(C)(C)C)C(=O)c1csc(B2OC(C)(C)C(C)(C)O2)c1 2257643960 ZHXOOEJWYFOCRA-CQSZACIVSA-N 454.398 2.395 30 10 JEEE CN(C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)[C@H](CNC(=O)OC(C)(C)C)C(F)(F)F 2267139727 KIGTZCHXSKWIMJ-GFCCVEGCSA-N 462.278 2.237 30 10 JEEE Cn1cc(C(=O)NCc2cnc(NC(=O)OC(C)(C)C)s2)c(B2OC(C)(C)C(C)(C)O2)n1 2267196697 SLNXTQPKRVUBAG-UHFFFAOYSA-N 463.369 2.453 30 10 JEEE CC(C)(C)OC(=O)N1CCCO[C@H](CNC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C1 2267548501 GNUSBNRZRXMHGF-CQSZACIVSA-N 467.397 2.198 30 10 JEEE Cc1c(-n2c(C)nc(I)c2I)ccnc1C(N)=NO 2272810144 PWAIIBQFZQFSIA-UHFFFAOYSA-N 483.051 2.188 30 10 JEEE Cc1nn(C)c(C(=O)N2C[C@H]3CCN(C(=O)OC(C)(C)C)[C@H]3C2)c1B1OC(C)(C)C(C)(C)O1 2281983481 UZPRXOXMANUKLF-CVEARBPZSA-N 460.384 2.109 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H](C)[C@@H](CNC(=O)OC(C)(C)C)C1 2282005572 QEMMPVNBLSLJCH-ZBFHGGJFSA-N 462.400 2.261 30 10 JEEE C[C@H]1CCN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C[C@H]1CNC(=O)OC(C)(C)C 2282030413 FREIFCNGCZEKHV-JKSUJKDBSA-N 460.384 2.399 30 10 JEEE CC(C)(C)OC(=O)NC[C@]12CN(C(=O)c3sncc3B3OC(C)(C)C(C)(C)O3)C[C@@H]1CCO2 2282063762 QHPZULSCDPQMKM-FPTDNZKUSA-N 479.408 2.198 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H](O)C[C@H](NC(=O)OC(C)(C)C)C2)c1 2282114465 DIVNUWDETXZKFQ-IRXDYDNUSA-N 460.380 2.394 30 10 JEEE CC(C)(C)OC(=O)NCC1(CNC(=O)c2ccc(F)cc2B2OC(C)(C)C(C)(C)O2)COC1 2282147925 UKZKCZAPXWSZRQ-UHFFFAOYSA-N 464.343 2.396 30 10 JEEE CC(C)(C)OC(=O)NCCCN1CCN(C(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)CC1 2282511857 DURKAZRAQUVRMV-UHFFFAOYSA-N 480.440 2.115 30 10 JEEE Cc1c(C(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282551326 CLCAHAWOBXSIIS-HOCLYGCPSA-N 462.400 2.261 30 10 JEEE Cc1nn(C)c(C(=O)N2C[C@@H]3C[C@H]3[C@H]2CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2282568631 FVGXWCYWFIRCPH-ARFHVFGLSA-N 460.384 2.013 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@]1(CF)CCN(C(=O)OC(C)(C)C)C1 2282582095 RGQUPPVHDGDEER-JOCHJYFZSA-N 466.363 2.107 30 10 JEEE Cn1nc(C(=O)N2CC([C@@H]3CCN(C(=O)OC(C)(C)C)C3)C2)cc1B1OC(C)(C)C(C)(C)O1 2282615287 XUDFDYLKWWJEOH-OAHLLOKOSA-N 460.384 2.048 30 10 JEEE CC(C)(C)OC(=O)NCCCC[S@](C)(=O)=NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2282675083 SHGLHZANPHBTAV-XIFFEERXSA-N 482.412 2.319 30 10 JEEE CN(C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2284038534 ITJSRNDBRSJDOT-INIZCTEOSA-N 466.363 2.303 30 10 JEEE COCCN(CCNC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2315694146 VMOOVJCVIMJZBQ-UHFFFAOYSA-N 455.386 2.056 30 10 JEEE COc1ccc(C=NNc2cnn([C@@H]3CCS(=O)(=O)C3)c(=O)c2Cl)c(Br)c1O 2322615550 AVAIJEJEGMZZES-SNVBAGLBSA-N 491.751 2.179 30 10 JEEE C=CCNC(=O)NS(=O)(=O)c1ccc(CCNC(=O)C=Cc2cc(OC)ccc2OC)cc1 2330477954 DDUQMTNQOAYBKG-UHFFFAOYSA-N 473.551 2.250 30 10 JEEE COc1ccccc1C=Nn1c(CNC(C)=O)nnc1SCC(=O)NCc1ccccc1 2330794193 UYVAEBNLFWHOSJ-UHFFFAOYSA-N 452.540 2.214 30 10 JEEE CC(C)(C)OC(=O)N1CC(OCCCNC(=O)c2occc2B2OC(C)(C)C(C)(C)O2)C1 2337063513 CZFDWOWFRRJDMS-UHFFFAOYSA-N 450.341 2.335 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)CC23CC3)n1 2361541162 CUMUSNMLZTVRFR-OAHLLOKOSA-N 460.384 2.096 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2S(C)(=O)=O)n1 2362154326 RPMTWBVYXNYHIM-IRXDYDNUSA-N 481.424 2.134 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 2362461701 QHTFSGHTIJIIFU-SLFFLAALSA-N 450.392 2.360 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1C[C@H]2CC[C@H]1N2C(=O)OC(C)(C)C 2362464099 CYPFMWUOAHRMHN-BZUAXINKSA-N 460.384 2.237 30 10 JEEE Cn1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H]3CCC[C@H]32)nc1B1OC(C)(C)C(C)(C)O1 2367687889 XRSUGVLGASGYMK-IAGOWNOFSA-N 460.384 2.333 30 10 JEEE N#Cc1ccccc1S(=O)(=O)N1CCN(CC(=O)NCCCSc2ccccc2)CC1 31294839 KKHJJCBLHDFJQG-UHFFFAOYSA-N 458.609 2.163 30 10 JEEE CC1CCC(C#N)(N(C)C(=O)[C@@H](C)Sc2nnc(C[C@H]3CCS(=O)(=O)C3)n2C)CC1 480851986 BIEVXPSGQQZOBV-KMFGOTIKSA-N 453.634 2.204 30 10 JEEE C[C@]12CC[C@@H]3[C@H](CCC4=C/C(=N\OCC(=O)N[C@H](CC(N)=O)C(=O)O)CC[C@@]43C)[C@H]1CC[C@@H]2O 605706655 PZKVVXINSMMEGU-FWVILPNQSA-N 475.586 2.128 30 10 JEEE CC#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](C(=O)O)[C@H](C)O 757207300 HKWDTOOQORZUCL-UZQPLGKSSA-N 450.491 2.257 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1CCN1CCCC[C@H]1CC)[C@H]1CCS(=O)(=O)C1 1286386846 ILTIIPBLFIUCQJ-RTWAWAEBSA-N 456.616 2.231 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1286391831 DZJGJLZSGXCWPO-KRWDZBQOSA-N 464.538 2.200 30 10 JEEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(N2CCOCC2)c(F)c1 1286452230 LGFOIOYIPAAVCD-UGKGYDQZSA-N 457.550 2.486 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCc2cc(C)ccc2OC)CC1 1286490246 JADRVDKSLMTBEC-UHFFFAOYSA-N 459.554 2.261 30 10 JEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C(=O)NCCCC)CC[C@@H]1C 1286495506 XTNFKTQGKYSSGS-OALUTQOASA-N 460.648 2.402 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](OC)[C@H](OC)C1 1286550461 CVFWCUMTXXWMOW-MJUUVYJYSA-N 476.599 2.180 30 10 JEEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(S(C)(=O)=O)CC1 1286692871 QBRTYMZQXRZIBP-UHFFFAOYSA-N 481.644 2.175 30 10 JEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(Cl)cccc1OC)C1CC1 1286736138 AXEZLKKZSSZYLP-LJQANCHMSA-N 482.006 2.476 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CC[C@](O)(Cc2cccc(Cl)c2)C1 1286786166 YZLIFSWMRUBUME-QHCPKHFHSA-N 452.946 2.480 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC(NC(=O)Nc3ccccc3)CC2)nnc1[C@@]1(OCC)CCOC1 1286792865 KJJDEQVZAOVKTR-RUZDIDTESA-N 497.600 2.023 30 10 JEEE C=CCOc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CCN(CC(C)C)C(=O)C2)cc1 1286797058 RGEZSGMOLFUAMM-UHFFFAOYSA-N 466.586 2.318 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCc3ccccc3C2)nnc1[C@]1(OC(C)C)CCOC1 1286825631 UJUUYLMFMXVWBM-QHCPKHFHSA-N 460.600 2.482 30 10 JEEE CCc1nnc(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)C[C@@H](C)C(=O)NC)s1 1292797424 ATZLGCHGWQQBCB-CQSZACIVSA-N 454.560 2.009 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OCCCC)c(OC)c2)n1CC(=O)N1CCOCC1 1300291186 RPIQWHBEIFEZRF-GOSISDBHSA-N 455.559 2.449 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1Cc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1300501357 KDBSZVMSUYWSRD-LJQANCHMSA-N 459.572 2.448 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H]2CN(CC(C)C)CCO2)CC1 1300690867 KQIINPSANLWHIZ-QFIPXVFZSA-N 482.629 2.074 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@H]2CCN(CC)C2)CC1 1300700141 MIXFRZYMPMDLNZ-FGZHOGPDSA-N 485.677 2.490 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2Cc2cc(OC)c(OCC)c(OC)c2)CC1 1300703839 UILQLJYCEOHUQP-UHFFFAOYSA-N 476.581 2.483 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 1300872751 GZJHAVWHPGGRNU-BZSNNMDCSA-N 473.578 2.482 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1300991597 VNHDGFQLNDUFHA-CQSZACIVSA-N 474.509 2.008 30 10 JEEE C=CCCOCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCc2nn(C)c(=O)cc2C1 1301238650 BUQJFXOGLMUNAF-UHFFFAOYSA-N 477.569 2.396 30 10 JEEE C=CCn1c(Cc2ccc(F)cc2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1301458481 RSMVPJPOAADLRB-UHFFFAOYSA-N 462.576 2.470 30 10 JEEE C=CCn1c(N2CCC([C@H]3NC(=O)N(C)C3=O)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1301473695 HYROAZWGWZWVHC-IXDOHACOSA-N 473.578 2.001 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1301481476 MDUQLRCKAXTNDZ-MZNJEOGPSA-N 484.557 2.150 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1301481744 OPSOBCPLFXZYSF-YYWHXJBOSA-N 482.585 2.366 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC[C@@](C)(C#N)C1 1301497122 PAQVUANJXHDKHI-DEOSSOPVSA-N 460.542 2.107 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CC[S@](=O)C(C)(C)C)C1 1301544994 CGKNUXNNEBVRIO-ASPBEGMCSA-N 470.603 2.249 30 10 JEEE C=CCS(=O)(=O)CCn1c(Nc2ccn(C)n2)nnc1[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1301596605 UDKQHYYHWMSBNG-MRXNPFEDSA-N 479.607 2.471 30 10 JEEE C=CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1301596911 CWNMDAPRCXMERA-SFHVURJKSA-N 456.572 2.346 30 10 JEEE CCS(=O)(=O)C[C@H](C)N(C)CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 1307474569 DUUHWMYOZXYGCS-IRXDYDNUSA-N 450.605 2.111 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCS(C)(=O)=O 1358888426 MSRMQWQIZONBQA-IRXDYDNUSA-N 453.609 2.285 30 10 JEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cn(C)nc1C(F)(F)F 1358904784 LXGOLMQXMFGDMI-ZDUSSCGKSA-N 461.514 2.081 30 10 JEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2cc(OC)c(C)cc2C1 1358913036 DIMDBBFXCYYSQJ-JOCHJYFZSA-N 487.626 2.294 30 10 JEEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(Cc2c(CC)nn(C)c2Cl)CC1 1358915545 HJQGNIPMSYMQTI-UHFFFAOYSA-N 487.052 2.476 30 10 JEEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1358956444 FZVGEMTXRBBIHE-NFBKMPQASA-N 476.574 2.133 30 10 JEEE C#CCN(c1nnc(C2CCC2)n1C[C@H](CC(C)C)NC(=O)OCC)[C@@H]1CCS(=O)(=O)C1 1358961668 CXSGSZJGWOWXRK-RBUKOAKNSA-N 465.620 2.333 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC2CCOCC2)CC1 1359040467 WEYIELXFGHEBOP-BGYRXZFFSA-N 458.607 2.231 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(C)cc2SC)CC1 1359047023 NWXRIQLKSPPNMN-UHFFFAOYSA-N 480.638 2.445 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 1359056255 BGTLWGRJHMLPBG-RDTXWAMCSA-N 480.578 2.076 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](c2ccnn2C)C1 1359084435 HLRUFQQDFCWRFF-HUUCEWRRSA-N 469.409 2.206 30 10 JEEE C=C(C)CN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCS(=O)(=O)NC 1359112736 REEYRCRALBHVGE-UHFFFAOYSA-N 470.640 2.344 30 10 JEEE C=C(C)COCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1359129853 PGVVEDGROJYOEG-VWLOTQADSA-N 498.584 2.370 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CCCN(CC)C(=O)C1 1359295294 XBIKGGVXQAGGLK-UHFFFAOYSA-N 467.393 2.130 30 10 JEEE CC(C)NC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@H]2CCCCO2)CC1 1360301401 AJVWJYWZRPLZDB-JOCHJYFZSA-N 495.628 2.335 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1Cc1cc2c(cc1OC(F)F)OCO2 1360671157 CRYNCFVQKAGFKN-LBPRGKRZSA-N 498.512 2.007 30 10 JEEE COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)C3(c4cccc(C#N)c4)CC3)CC2)c1 1440642579 CNYAWOKNLJSWKG-UHFFFAOYSA-N 455.536 2.140 30 10 JEEE COCCN(CCC#N)S(=O)(=O)N1CCC[C@H]([C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 1463772359 CXEZKOWOFKXLNV-OALUTQOASA-N 458.625 2.452 30 10 JEEE CCN(CC)CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2[C@@H]2C[C@H]2C)CC1 1501909502 CDOYZHVFSKFZHI-WIYYLYMNSA-N 451.575 2.300 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2C[C@@H](C)CN2CCCC2)c1 1507549798 PBQJPBKDQGXTFY-IBGZPJMESA-N 460.586 2.467 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1Cc1nccs1)[C@H]1CCS(=O)(=O)C1 1507633137 BQSFPEAQOFFVRA-KRWDZBQOSA-N 457.581 2.009 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CCS(=O)(=O)C1 1507702148 FVHUFHLIQUFUJB-DYXWJJEUSA-N 476.574 2.216 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CC=CCO1 1507711342 UIVTXFYPMFHNGO-MOPGFXCFSA-N 461.563 2.018 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2[C@@H]2C[C@H]2CF)CC1 1507734837 ZQXNTCHQRORDME-ZWKOTPCHSA-N 471.533 2.467 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N(C)CC(C)(C)CN1CCOCC1 1507801901 YWGCBZMWCLPSFP-CTNGQTDRSA-N 457.623 2.454 30 10 JEEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2c(CC)nn(C)c2Cl)CC1 1507831989 JMVHQKLTYUBPSG-INIZCTEOSA-N 482.054 2.028 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1cn[nH]c1 1508040586 ZHPNTXCFDLBPFZ-GOSISDBHSA-N 461.567 2.191 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(Br)cc2)nnc1N1CCO[C@H](C)C1 1508142831 HEHBULXBCZKHCD-OAHLLOKOSA-N 485.404 2.446 30 10 JEEE C=CCSCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1508154586 BSLNUABOTBRFDA-UHFFFAOYSA-N 480.642 2.260 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2CCN2CCCC2)c1 1539040273 PLFIDHJHRABWBE-AREMUKBSSA-N 480.613 2.471 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1Cc1ccc(N(C)C)nc1)[C@H]1CCS(=O)(=O)C1 1539212646 WTTOXSBVIOTNJD-FQEVSTJZSA-N 464.595 2.390 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1oc(CCC)nc1C)[C@H]1CCS(=O)(=O)C1 1539224549 ICPQHFUZCZUURU-IBGZPJMESA-N 468.583 2.188 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1OCCC1(C)C 1539385320 YEWWJJOFXXIPKX-QFBILLFUSA-N 463.579 2.482 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@@](C)(O)c2ccc(F)cc2)CC1 1539476319 VQGVMKWLSWXQIL-RUZDIDTESA-N 464.545 2.296 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(F)ccc1OC 1539669634 SEWIAWKFKPRBPC-LJQANCHMSA-N 467.567 2.209 30 10 JEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCCN(C(=O)c2cccc(F)c2)CC1 1540872910 FLWWFSQFNGZZNM-UHFFFAOYSA-N 497.600 2.428 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 1540907726 GKWDYXAQOUXIBT-IEBWSBKVSA-N 467.636 2.108 30 10 JEEE CC(C)[C@@H]1OCCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCC#N)CC1CC1 1541408806 HIKCBFDXFKCEDT-HKBOAZHASA-N 494.662 2.192 30 10 JEEE COCCOC[C@]12CN(c3ccc(C#N)c(C(F)(F)F)c3)C[C@H]1CCN(S(C)(=O)=O)C2 1548365826 CLPGXWIIIOCBGP-VQIMIIECSA-N 461.506 2.328 30 10 JEEE CN(C)C(=O)[C@@H]1CN(S(C)(=O)=O)CC12CCN(c1ccc(C#N)c(C(F)(F)F)c1)CC2 1548376573 BBNACHJWRKENKV-KRWDZBQOSA-N 458.506 2.143 30 10 JEEE Cn1ccnc1C(=O)N1CC2(CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)C[C@@H]1C(N)=O 1548380213 UJIJKEGRBJMPJH-QGZVFWFLSA-N 460.460 2.297 30 10 JEEE N#Cc1ccc(N2CCC([C@@H]3CN(C(=O)c4ncccn4)C[C@H]3C(N)=O)CC2)cc1C(F)(F)F 1548386061 GMOKSQKFSIIOKY-ZWKOTPCHSA-N 472.471 2.457 30 10 JEEE CNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCC[C@@H](C)C2)CC1 1554437596 BDQUAOZBWZISSW-LJQANCHMSA-N 465.602 2.423 30 10 JEEE COc1cc(C(=O)NCC(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)cc(OC)c1OC 1556159632 ANHBERJHCNDBKD-UHFFFAOYSA-N 453.430 2.277 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)ccc1F 1566346794 MLOJYROPCAZKJX-UHFFFAOYSA-N 451.495 2.400 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCO[C@H]1CCOC1 1587574135 CAQDDTUSCAKBDD-AEFFLSMTSA-N 460.604 2.200 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2Cc2nc(C)cs2)c1 1587696941 DCZHABDXHUBFOE-UHFFFAOYSA-N 463.567 2.270 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1Cc1cccc(C(=O)NCC)c1)[C@H]1CCS(=O)(=O)C1 1588064353 GUJMUVNSQUUQNW-NRFANRHFSA-N 497.646 2.355 30 10 JEEE C#CCN1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCN2CCCC2)CC1 1588812709 SSZAGZTUFITTGL-UHFFFAOYSA-N 471.650 2.244 30 10 JEEE C#CCN1CCN(c2nnc(CSc3ccccc3OC)n2CC2(S(C)(=O)=O)CCC2)CC1 1588876762 HZIMYEGLHRROAV-UHFFFAOYSA-N 489.667 2.302 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N(C)CCCS(C)(=O)=O 1589557229 HCPQRBXKXXCVOJ-QFBILLFUSA-N 453.634 2.486 30 10 JEEE C=C1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCC(=O)N2CCOCC2)CC1 1594142596 FNSDJRSJQFZHCL-KDURUIRLSA-N 474.606 2.454 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(C)CCCO1 1595115573 LDIXJQNUTAYJCS-NZQKXSOJSA-N 475.615 2.373 30 10 JEEE N#C[C@H]1CN(c2nnc(Cc3ccccn3)n2Cc2ccc(OCC(F)(F)F)nc2)CCO1 1620354759 CKEUHAZZIPOMTO-KRWDZBQOSA-N 459.432 2.377 30 10 JEEE C=CCN1CC[C@@H](N(C)S(=O)(=O)c2cc3c(cc2Br)CCCC(=O)N3)C1=O 1622074677 NWYHBEGGDRFTBI-OAHLLOKOSA-N 456.362 2.131 30 10 JEEE CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cc1 1624812880 ANHAIPMBGNODKU-ZVZYQTTQSA-N 450.561 2.252 30 10 JEEE C=C[C@@H]1OCC[C@H]1CNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1 1630442487 VMGSVRQLKIMRKR-UNMCSNQZSA-N 477.627 2.130 30 10 JEEE C#CCCCCn1c(-c2cccc(C)n2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1689886598 AMZCSLUYWQNBNN-UHFFFAOYSA-N 469.571 2.092 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1cccc(C(F)(F)F)n1)[C@H]1CCS(=O)(=O)C1 1689993262 ZLKUDHBZAIHIDY-SFHVURJKSA-N 490.511 2.353 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1CCCc1cnn(C)c1 1690095264 KYQPAICIXRHAIX-UHFFFAOYSA-N 460.380 2.498 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCc2ccc(OC)c(F)c2)CC1 1690113303 GCBGSSNSAWBSPS-DEOSSOPVSA-N 457.550 2.076 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@H](C)N(C)C2CC2)CC1 1690139717 YIBLIPQQKCXSQY-SFHVURJKSA-N 450.587 2.402 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H](OC)c2ccc(F)cc2)CC1 1690146612 SDZFFQUJKDQJCG-CTNGQTDRSA-N 455.534 2.275 30 10 JEEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCN(CCOC)[C@@H](CC)C1 1690669137 VLOJPMNVHSPNDG-SFHVURJKSA-N 451.575 2.276 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@@H](OCC)C1 1690724895 YEBGFZLSCMPUID-YLJYHZDGSA-N 462.572 2.397 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCN(C)C(=O)[C@H]1C 1690730204 ZVQSVHNPHDRPRU-GOSISDBHSA-N 489.642 2.422 30 10 JEEE C=CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CCN(C(=O)COC)CC1 1690736204 WPMSQSVMCVHOKQ-UHFFFAOYSA-N 483.436 2.260 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1cccc(N2CCCC2=O)c1 1692781604 GHBAEDBKPBSLMW-HXOBKFHXSA-N 485.614 2.193 30 10 JEEE CCc1nn(C)c(OC)c1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)C[C@H](C)C#N 1694609004 BSLIWJDZPAMPSD-OAHLLOKOSA-N 471.587 2.297 30 10 JEEE COCCN(CCC#N)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCC(=O)N(C)C 1698062596 DHXOZRUTPDKDDY-KRWDZBQOSA-N 463.583 2.195 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1CC(=C)Br)[C@@H]1CCS(=O)(=O)C1 1705563316 VBAGBBHHDMOVDL-MRXNPFEDSA-N 493.383 2.252 30 10 JEEE C#CCN(c1nnc(C2CC2)n1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1 1705567084 TZSNORZDFABPLP-MJGOQNOKSA-N 477.631 2.429 30 10 JEEE C#CCN(c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H](OC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1705567376 VVPYKWUOBBFWRW-QMMLZNLJSA-N 474.583 2.088 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1CC1(CN2CCOCC2)CCCCC1 1705587671 DWNXCNJBEOZHSI-UHFFFAOYSA-N 454.619 2.162 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCC(=O)Nc2ccccc2)CC1 1705634750 HZLLWWMZUAEXTJ-RUZDIDTESA-N 466.586 2.103 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc([C@H](C)O)cc2)CC1 1705647555 GPBQEZFFTDPAKK-PGRDOPGGSA-N 451.571 2.240 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN(CC)C(=O)OC(C)(C)C 1705668956 XPWONYXACAHYBG-IIBYNOLFSA-N 468.624 2.137 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1705693855 LKMGUDAUSDJNJN-ZJOUEHCJSA-N 468.606 2.293 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C(=O)COC)CC1 1705698677 XFDMJXLKHTWNTP-DNVCBOLYSA-N 493.406 2.312 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](CC)NC(=O)OC(C)(C)C)CC1 1705769593 XEWOZMOMRLQJNO-MSOLQXFVSA-N 498.650 2.071 30 10 JEEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)CC(C)(C)C1 1705830426 PINRQJRXAFNFEE-QZTJIDSGSA-N 455.625 2.076 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1705902942 MRMYRIIBXRSLGZ-SFHVURJKSA-N 469.977 2.326 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1705909477 YHALLEGFBVVJCJ-IYRMOJGWSA-N 461.607 2.272 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1C[C@@]1(O)CCC[C@@H]1C 1706859480 APXXKGRQNWSXJT-QQMNAOGKSA-N 472.615 2.480 30 10 JEEE CCN(c1nnc(-c2cccc(C#N)c2)n1CCC(=O)NC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1709942827 GPTOGSYPBWHDGV-GOSISDBHSA-N 458.588 2.135 30 10 JEEE COC(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2C[C@H](C)O[C@H](C)C2)C1 1711444368 IEDIWZSTZSJNNT-UEXGIBASSA-N 452.559 2.315 30 10 JEEE C#CCCCn1c(N(CC)CCS(C)(=O)=O)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1722338778 MMIHJNLLTAJQQL-CALCHBBNSA-N 453.609 2.333 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1722362057 MHWSLIZEWHIWFD-NVXWUHKLSA-N 464.975 2.270 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCN(C)CC(F)(F)F 1722393065 QEQCZUBAHYGENR-UHFFFAOYSA-N 471.491 2.268 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2c(c1)[C@@H](C)[C@H](C)O2 1722414292 ZDBVLQDRPRZGLL-FIKGOQFSSA-N 473.599 2.003 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCC(=O)NCc2ccccc2)CC1 1722433101 LLIHUTKLGZRIGT-UHFFFAOYSA-N 496.413 2.497 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCN2CCC[C@H](C)C2)CC1 1722435261 FLAIONSVDUGUIM-FQEVSTJZSA-N 452.603 2.449 30 10 JEEE C=C(C)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1722523834 UTGAHLXWQQGJNR-FQEVSTJZSA-N 460.648 2.088 30 10 JEEE C=C(C)COCCn1c(N2CCN(c3cc(C#N)ccn3)CC2)nnc1[C@@]1(OCC)CCOC1 1722538866 YXRZWRAVGDLJQV-XMMPIXPASA-N 467.574 2.116 30 10 JEEE C=CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@H](C(N)=O)C1 1722597736 QKLSRSLBCXGQRH-GOSISDBHSA-N 460.604 2.253 30 10 JEEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1722607587 DWUYDLIRIYBHKX-LJQANCHMSA-N 480.617 2.461 30 10 JEEE C=CCCCn1c(N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1722623332 SFSHDRSWFOIWKK-DHIUTWEWSA-N 460.579 2.099 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1722751291 RYFARHZHAOBCKI-WZONZLPQSA-N 460.600 2.493 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)(C)C)n2CC2(O)CCN(C(C)C)CC2)n1 1740688684 ZAIZDEHNULYVCX-UHFFFAOYSA-N 471.650 2.294 30 10 JEEE C#CCN1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2C[C@](C)(O)[C@@H](C)CC)CC1 1740696586 YIPYHDAKBKXEGC-CPJSRVTESA-N 466.634 2.004 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2Cc2cccnc2OCCOC)CC1 1740697094 RDPFPONLGCRWLU-UHFFFAOYSA-N 464.545 2.232 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@](C)(O)c2ccsc2)CC1 1740701031 RULTYQINRCXAEN-XMMPIXPASA-N 486.642 2.132 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCOC(C)(C)C)CC1 1740703748 CXKVXHIWSNQAEC-UHFFFAOYSA-N 453.543 2.455 30 10 JEEE C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2sccc2C1 1740744906 HSBDXPSPTOJIJI-AWEZNQCLSA-N 488.433 2.144 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1740752074 SGGKRXZUTOEIHU-NEOGFGCTSA-N 458.607 2.235 30 10 JEEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1740881082 WSNLOFGKRDNYBM-UHFFFAOYSA-N 482.589 2.246 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1740962595 IQLHVALKHDAAQY-UHFFFAOYSA-N 451.478 2.468 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCN(c2ccccc2C)CC1 1740993140 TWODMATWBWUCLQ-UHFFFAOYSA-N 466.611 2.500 30 10 JEEE CC(C)C[C@@H](Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCO[C@@H](C#N)C1)N(C)C 1741423808 ACWPYCMBIFBKME-DQEYMECFSA-N 494.688 2.348 30 10 JEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1748760326 ZVEHQCBAZBDTBB-MRXNPFEDSA-N 468.587 2.258 30 10 JEEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CCCN1CCN(c2ccccc2)CC1 1748766224 JVSLPDPIMRZTMS-UHFFFAOYSA-N 458.570 2.207 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1C[C@H]1NC(=O)CC1(C)C)[C@@H]1CCS(=O)(=O)C1 1748808867 HHEHNYANKGQXMH-CRAIPNDOSA-N 493.992 2.279 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1Cc1ccc(C)nc1)[C@@H]1CCS(=O)(=O)C1 1748810702 ZVAAUFDIQGJAFS-HXUWFJFHSA-N 481.578 2.341 30 10 JEEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H]1CCN(CC(F)(F)F)C1 1748830429 WCMHCRXMMLJYRE-GHTZIAJQSA-N 453.509 2.276 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(OC)cc(OC)c2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1748831724 VGUBMZGFYPRJTD-UHFFFAOYSA-N 490.564 2.290 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCNC(=O)c1ccco1 1748846163 DSIHOPSHNBCWCU-LJQANCHMSA-N 480.569 2.488 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2Cc2cccc(OC)c2OC)CC1 1749010528 MKMCZGGIYOWUOM-UHFFFAOYSA-N 460.538 2.371 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)COC)CC1 1749134023 TUEOIAMASMBDGJ-QPPBQGQZSA-N 453.587 2.454 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1CCN(CC(F)(F)F)CC1 1749600422 YBUQWDXJAHYVFT-KRWDZBQOSA-N 479.569 2.093 30 10 JEEE C=CCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N(C)C[C@@H]2CCN(C(C)=O)C2)cc1 1749684566 ZOQOGOVLKNLTQN-PZJWPPBQSA-N 452.559 2.147 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](c2ccccc2)N2CCOCC2)C1 1749693447 IZDKNVWHJQGKRP-VXKWHMMOSA-N 468.602 2.271 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCc2c(C)cccc2C1 1749721549 NJIPTPHXCMSQCJ-UHFFFAOYSA-N 466.567 2.397 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1749730499 GNVQWPJZPKKHKF-QUCCMNQESA-N 451.556 2.023 30 10 JEEE C=CCSCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCN(CC(=O)N(C)C)CC1 1749762512 WYDRYEDZBRBYTO-UHFFFAOYSA-N 467.643 2.480 30 10 JEEE C#CCN(c1nnc(-c2cc(C)nc3ccccc23)n1CCOCCN(C)C)[C@H]1CCS(=O)(=O)C1 1760180948 NIGYNDZEGPEMKH-FQEVSTJZSA-N 496.637 2.007 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1CC[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1760184930 ZJVPWZUIINGMQU-HKUYNNGSSA-N 474.583 2.016 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H](Cc1ccccc1)OC)[C@@H]1CCS(=O)(=O)C1 1760187710 DTTGZCUITYHTKZ-YADHBBJMSA-N 465.579 2.225 30 10 JEEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H](c1cccc(C)c1)N1CCOCC1 1760196130 LAJSIVXORYYIRY-SHQCIBLASA-N 477.609 2.385 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 1760515233 SRNVSZUTJMUINB-UHFFFAOYSA-N 456.391 2.040 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C(C)(C)C)CC1 1760551215 XLGINFDWBVSYED-UHFFFAOYSA-N 477.631 2.484 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1760552568 SJWLWXMRWYKSSG-UHFFFAOYSA-N 473.990 2.316 30 10 JEEE CO[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1)C(C)C 1768131544 DYFQBVLCTIMSAZ-NRFANRHFSA-N 490.630 2.260 30 10 JEEE COCCN(CCC#N)c1nnc(-c2cccc(C)n2)n1C[C@]1(N2CCOCC2)CCSC1 1769843369 HUPLSIQNFZMDQM-HSZRJFAPSA-N 471.631 2.223 30 10 JEEE C#CCN(CC#CC)c1nnc(COc2ccc(Cl)cc2Cl)n1CCNS(C)(=O)=O 1772516726 OBGCSZIPSVBYBF-UHFFFAOYSA-N 470.382 2.176 30 10 JEEE CCN(C(=O)c1nc(C(=O)Nc2ccccc2C#N)c2ccccn12)[C@H]1CCS(=O)(=O)C1 1858243349 YGAJJNCMHVKNRN-INIZCTEOSA-N 451.508 2.107 30 10 JEEE CCCC[C@@H](NC(=O)NS(=O)(=O)c1ccc(CNC(=O)c2cccc(C#N)c2)cc1)C(=O)O 1858651420 RZBNPSDTOIZVRU-LJQANCHMSA-N 472.523 2.120 30 10 JEEE CCCCCCCCNC(=O)[C@@H]1C[C@H](O)CN1C(=O)[C@H]1CC(=O)N(c2ccccc2C(=O)OC)C1 1861606414 FLSASXWEZUYSCE-IPJJNNNSSA-N 487.597 2.265 30 10 JEEE CC(=O)Oc1cccc(C(=O)Nc2c(C#N)nnn2Cc2cc([N+](=O)[O-])cc3c2OCOC3)c1 1870105080 YQCHDMBTBGCFLV-UHFFFAOYSA-N 464.394 2.150 30 10 JEEE COc1ccc(N2C[C@H](C(=O)Nc3c(C#N)nnn3-c3cc(NC(C)=O)ccc3C)CC2=O)cc1 1870159202 JJVHQPYJZOWWMW-MRXNPFEDSA-N 473.493 2.406 30 10 JEEE C=CCn1c(C(=O)NC[C@H](O)c2ccc(Cl)cc2)cc2c(N3CCN(C(C)=O)CC3)ncnc21 1873595092 OLQKQQIGROAPKT-NRFANRHFSA-N 482.972 2.403 30 10 JEEE COC(=O)CSc1nnc([C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)n1/N=C/c1cccn1C 1874200991 OZXPFJYYRTUYDR-AQXNZCSYSA-N 468.539 2.293 30 10 JEEE COc1ccccc1/C=N/n1c(SCC(N)=O)nnc1[C@@H]1CC(=O)N(Cc2ccccc2)C1 1874210221 NUYAROOQLNNUCW-LLXCYVELSA-N 464.551 2.262 30 10 JEEE CCCNC(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1ccc(OCC)c(OCC)c1 1874432496 JCNXIBKPBVPUAY-WYMPLXKRSA-N 462.576 2.212 30 10 JEEE Cn1cc([C@H](NC(=O)OC(C)(C)C)C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)c2)nn1 2180970365 MLPLVUASUGIWJQ-KRWDZBQOSA-N 457.340 2.319 30 10 JEEE C[C@H](C#N)CS(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)CC1 2215056633 PYFVOKLWGWDQMV-MRXNPFEDSA-N 460.597 2.266 30 10 JEEE CC1(C)OB(c2csc(S(=O)(=O)N(OCc3ccccc3)C3CNC3)c2)OC1(C)C 2247880177 CBOYKGVNJKJMIA-UHFFFAOYSA-N 450.391 2.142 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NCC[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)C1 2255199760 CFLBZMFKXPRGKZ-HESYMAFGSA-N 451.564 2.171 30 10 JEEE Cc1cc(S(=O)(=O)N[C@H]2CON(C(=O)OC(C)(C)C)C2)sc1B1OC(C)(C)C(C)(C)O1 2255749580 VZNVAIIZUGMDNA-CYBMUJFWSA-N 474.410 2.185 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)[C@H](C)NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2255802963 HVGHRLFYCINFHC-STQMWFEESA-N 475.442 2.163 30 10 JEEE CC(C)N(CCCNC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2267132212 MUPFBSMIRHHQDL-UHFFFAOYSA-N 450.389 2.485 30 10 JEEE Cc1nc(C(=O)N2C[C@H](NC(=O)C(F)(F)F)CC[C@H]2C)c(B2OC(C)(C)C(C)(C)O2)s1 2267175180 ZCMLVPMAVSTYJL-ZYHUDNBSSA-N 461.315 2.422 30 10 JEEE CC[C@@H](CN(CC)C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2267179762 UUMIFJNANYSYJL-HNNXBMFYSA-N 450.389 2.485 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1S(=O)(=O)NC[C@H]1C[C@@H]1NC(=O)OC(C)(C)C 2267463516 BCTZRYHPPXMSRB-WBVHZDCISA-N 466.409 2.486 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CC(F)(F)C1 2267523290 ZGVWQJUNWSHQMU-GFCCVEGCSA-N 456.299 2.083 30 10 JEEE CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1CNC(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2267595596 FRTCSBGOUZSUJZ-HNNXBMFYSA-N 465.425 2.328 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CN(C(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)[C@@]2(CCOC2)C1 2281800202 GBOWUIXIDZOZKC-PEBXRYMYSA-N 479.408 2.341 30 10 JEEE C[C@H]1CCN(C(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)C[C@H]1CNC(=O)OC(C)(C)C 2281825927 CQJZZQKHVDJPTD-JKSUJKDBSA-N 462.400 2.342 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1CO[C@@H](CNC(=O)OC(C)(C)C)C1 2281963164 IRGBJASYVWEBOQ-HUUCEWRRSA-N 481.424 2.410 30 10 JEEE 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)sn1 2282011742 MHLWPWVPPVJJFA-NKKGCODLSA-N 479.408 2.243 30 10 JEEE CC1(C)OB(c2cnc(C(=O)N[C@H]3CN(Cc4ccccc4)CC(F)(F)C3)nc2)OC1(C)C 2282020601 AJILGIFMNGSVEA-GOSISDBHSA-N 458.318 2.415 30 10 JEEE Cn1nc(C(=O)N2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@@]3(C)C2)cc1B1OC(C)(C)C(C)(C)O1 2282052390 NPNZSOVOYPGGFI-NPMXOYFQSA-N 460.384 2.048 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCCN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282179449 MUBDDSMPPPAHQM-LSDHHAIUSA-N 463.388 2.022 30 10 JEEE CC(C)(C)OC(=O)NC[C@]12CN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)c[nH]3)C[C@H]1CCO2 2282203234 BMGHJKZYUHFKJW-CMJOXMDJSA-N 461.368 2.070 30 10 JEEE CN(C1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282338711 PMKBQTXPMWKFFF-UHFFFAOYSA-N 474.436 2.004 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CN(S(=O)(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)cc3)C[C@H]2C1 2282343607 QREZDVXQFSKCJQ-IAGOWNOFSA-N 478.420 2.473 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@H]1CN(CCO)C(=O)c1coc(B2OC(C)(C)C(C)(C)O2)c1 2282527716 HLOXNAOTQSAVPO-KRWDZBQOSA-N 464.368 2.413 30 10 JEEE CC[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282534253 DUJKIZABUUOUOH-NVXWUHKLSA-N 462.400 2.485 30 10 JEEE CC(C)[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2282550475 ZKRFNQMDCVHVHD-QGZVFWFLSA-N 462.400 2.437 30 10 JEEE Cn1nc(C(=O)NC[C@H](F)C2CN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2282556546 JRSURSISHHQNKS-ZDUSSCGKSA-N 486.781 2.308 30 10 JEEE Cn1nc(C(=O)N2C[C@H]3C[C@@H](C2)[C@@H](NC(=O)OC(C)(C)C)C3)cc1B1OC(C)(C)C(C)(C)O1 2282615975 UZCCGEJKBIJSDK-JYJNAYRXSA-N 460.384 2.095 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CCNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)C(F)(F)F 2283069399 RQEGXVWMOXFWEF-LBPRGKRZSA-N 474.289 2.351 30 10 JEEE COC(=O)[C@@H](CC(=O)NCc1ccccc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2283944918 UGBVDMHXOCGILY-QGZVFWFLSA-N 462.352 2.058 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2CCO[C@@]2(C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C1 2284062743 IFHMEFIBCBOXOO-PEBXRYMYSA-N 479.408 2.085 30 10 JEEE Cc1cc(CNC(=O)[C@H](F)C2(O)CN(C(=O)OC(C)(C)C)C2)sc1B1OC(C)(C)C(C)(C)O1 2284064036 VTTQPQJPGUISSB-HNNXBMFYSA-N 484.399 2.292 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N 2285194925 WOTZWPSENYCHBX-KRWDZBQOSA-N 456.352 2.274 30 10 JEEE CCOc1ccc(C=NNc2cnn([C@H]3CCS(=O)(=O)C3)c(=O)c2Br)cc1 2322659863 YZGFBFMKPSDGRU-ZDUSSCGKSA-N 455.334 2.210 30 10 JEEE CCN(CC)c1ccc(/C=N/Nc2nnc(SCC(=O)Nc3nccs3)n2N)c(O)c1 21325841 SKWFWGBBIPPFEY-UFFVCSGVSA-N 461.577 2.177 30 10 JEEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Br)cc1Br 71992029 CRUMOWNTBXHTKG-LLVKDONJSA-N 471.192 2.023 30 10 JEEE COc1ccc(OC)c([C@@H]2/C(=C(/O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN(C)C)c1 102701603 XQOOMYQSDUPOHO-RKKARLDVSA-N 468.506 2.458 30 10 JEEE C=CCNC(=O)c1ccc(NC(=O)CS(=O)(=O)CC(=O)Nc2cccc(Br)c2)cc1 515649435 NMANSKFUMCKNFK-UHFFFAOYSA-N 494.367 2.357 30 10 JEEE C#CCN(C(=O)c1cc(S(=O)(=O)Nc2ccc(OC)cc2)ccc1C)[C@@H]1CCS(=O)(=O)C1 729330353 BKHXZHBWJSCULX-GOSISDBHSA-N 476.576 2.067 30 10 JEEE C#CCN(CC(=O)O)C(=O)C[C@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)OC 757463753 MKCZPZMGUXCWRI-QGZVFWFLSA-N 450.491 2.477 30 10 JEEE Cc1ccc(S(=O)(=O)N[C@H](C(=O)O[C@H](C)C(=O)N(CCC#N)c2ccccc2)[C@H](C)O)cc1C 777300166 LLZJRINUUKALNR-JQVVWYNYSA-N 487.578 2.210 30 10 JEEE COC(=O)c1ccc(C=NNc2nnc(SCCC(=O)Nc3ccc(F)cc3)n2N)cc1 1084277803 QXOSAXHKBZRYGB-UHFFFAOYSA-N 457.491 2.485 30 10 JEEE C=CCNS(=O)(=O)c1ccc(C(=O)N(C[C@@H](O)CC(C)(C)C)C2CCN(C)CC2)cc1 1157619280 OODCONZKPIBDRZ-FQEVSTJZSA-N 451.633 2.484 30 10 JEEE COc1cc(CNC(=O)N2CCN(c3ccc(C#N)cc3)CC2)ccc1OCC(=O)N(C)C 1222621713 CWBVTFMMDLQAMU-UHFFFAOYSA-N 451.527 2.066 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2CCCOC2CCOCC2)c1 1286310380 VUAAYZXLOKYFKM-UHFFFAOYSA-N 475.553 2.377 30 10 JEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ccnc(OCC2CC2)c1 1286365893 MKSYPFHGMLWQRK-UHFFFAOYSA-N 480.594 2.497 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCOc2ccc(Cl)cn2)CC1 1286495367 ZLIBYTCFCGHUPV-SFHVURJKSA-N 472.977 2.265 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCCN1S(C)(=O)=O 1286518695 YQFPEJQOOSAXBR-WIYYLYMNSA-N 458.544 2.269 30 10 JEEE C=C(Br)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@H](OCCOC)C1 1286539401 ZQQZIDONRFEIQH-HNNXBMFYSA-N 489.374 2.342 30 10 JEEE C=C(C)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(CC(=O)N(C)C)CC1 1286592929 CHOPSFQBLSLPLS-IBGZPJMESA-N 475.638 2.179 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ccccc2OCC)CC1 1286645760 HZMJUYALINRQRC-NRFANRHFSA-N 475.615 2.409 30 10 JEEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN([C@@H](C)c2ccc(F)cc2F)CC1 1286770936 OCUGOENASSAFGW-GJZGRUSLSA-N 454.547 2.236 30 10 JEEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1286791439 ZOGPLXLGNLPYEU-JOCHJYFZSA-N 460.604 2.213 30 10 JEEE C=CCOc1ccc(Cn2c(-c3noc4c3COCC4)nnc2N(C)CCS(C)(=O)=O)cc1 1286794542 JXYGCONTDIVDTF-UHFFFAOYSA-N 473.555 2.100 30 10 JEEE CC(C)OC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1288344390 FYPVUZPTSXZHJG-LJQANCHMSA-N 472.615 2.492 30 10 JEEE CC[C@@H]1CCCCN1CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](C#N)C1 1293362550 DZBUCWJOVMYFHI-UXHICEINSA-N 472.615 2.342 30 10 JEEE CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(Nc2cccnn2)CC1 1295083438 FUOSGPLJENYIEN-UHFFFAOYSA-N 475.557 2.078 30 10 JEEE C#CCN(c1nnc([C@@H](C)CC)n1CCN1CCN(Cc2ccccc2)CC1)[C@H]1CCS(=O)(=O)C1 1300483405 JSSBWLYGBRYRJL-UPVQGACJSA-N 498.697 2.236 30 10 JEEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1CCOC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1300504778 RXWJAACPTSYPJY-GOSISDBHSA-N 476.599 2.308 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc3ccccc3o2)n1CC1(O)CCS(=O)(=O)CC1 1300562975 BTRYPIYZUOSABX-UHFFFAOYSA-N 452.536 2.094 30 10 JEEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCOc2ccc(F)c(Cl)c2)CC1 1300707433 YSGUULFVYVNZBO-UHFFFAOYSA-N 460.941 2.027 30 10 JEEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1300863836 UUNQCXVWYWTQJP-OAHLLOKOSA-N 462.414 2.289 30 10 JEEE C=CCN(Cc1cccs1)c1nnc(C(=O)NC(C)C)n1C[C@H]1CCCS(=O)(=O)C1 1301357866 SSVIUIAWESAOMV-MRXNPFEDSA-N 451.618 2.495 30 10 JEEE COC(=O)Nc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 1356528728 CGXUZXUXMZSJSG-UHFFFAOYSA-N 456.524 2.454 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCOC[C@H]1CCOC1 1358889601 DNBGMCGSOGYHTE-WOJBJXKFSA-N 453.591 2.353 30 10 JEEE C#CCCCCn1c(-c2cnccn2)nnc1N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 1358910697 YBOCPZIIOIBLKB-IBGZPJMESA-N 457.604 2.369 30 10 JEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCNC(=O)[C@@H](C)CCC 1358949686 KHWIZTGHYJHFCU-ZWKOTPCHSA-N 462.595 2.208 30 10 JEEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1CC(C)(C)C1)[C@@H]1CCS(=O)(=O)C1 1358958075 HDIBVZDDIORGJX-LJQANCHMSA-N 490.651 2.412 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1Cc1ccc(C)nc1)[C@H]1CCS(=O)(=O)C1 1358959066 AYZDOCRCPPYPRH-FQEVSTJZSA-N 451.552 2.332 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1CCc1ccccn1)[C@@H]1CCS(=O)(=O)C1 1358965023 MJUYPDPZUVBEDT-HXUWFJFHSA-N 453.543 2.272 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cn(C)c3ccccc23)n1CCN/C(O)=C1/N=CC=CC1=O 1358990878 FVPBWERCJBWEBY-BZZOAKBMSA-N 467.533 2.426 30 10 JEEE C=C(C)COCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1359133699 XVGRNWSWDAFBEJ-CTNGQTDRSA-N 471.606 2.285 30 10 JEEE C=C(C)COCCn1c(CCc2ccccc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1359135612 JMJVAPZGAAAJLY-JOCHJYFZSA-N 453.587 2.484 30 10 JEEE C=CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccc(C(N)=O)nc1)C1CC1 1359247968 WFADSPVDDMRLCL-UHFFFAOYSA-N 452.540 2.046 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@H]1CCN(S(C)(=O)=O)C1 1359466731 GSZVSHHHEHZJDR-IKGGRYGDSA-N 464.567 2.435 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)Nc3ccccn3)n2CCC(C)(C)O)c1 1507548801 WAGOXYQZBKZKOS-UHFFFAOYSA-N 461.526 2.143 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1ccc(F)cc1F)[C@@H]1CCS(=O)(=O)C1 1507631388 DBQLZISPKDPDLQ-IEBWSBKVSA-N 450.511 2.473 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CCCN1C[C@@H](C)C[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1507635780 VIRDOKZNVCJLMG-XJUOHMSHSA-N 484.670 2.259 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCc1n[nH]c(C)n1 1507650408 JPLMIEHWBDECJN-SFHVURJKSA-N 452.563 2.135 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCn1ccnc1C 1507662532 KCXCGTLKOCWSAX-UHFFFAOYSA-N 479.610 2.254 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1C[C@H]1CCOC[C@@H]1OC 1507704392 ZMUJDEYKDGHUCX-QAPCUYQASA-N 466.380 2.184 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](CC)OC)CC1 1507739536 CFCIQEXKMLGPJV-HXUWFJFHSA-N 450.543 2.120 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2CCN2CCSCC2)CC1 1507741295 YRVNBEXJFYWGDM-UHFFFAOYSA-N 466.655 2.078 30 10 JEEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 1507781522 BBEQSRRGYMLIIJ-CQSZACIVSA-N 476.335 2.373 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1507804061 JPQHCRCNPNQABU-LMNJBCLMSA-N 459.978 2.455 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCS(=O)(=O)C2)C1 1508129896 FXAXUXZNGJEZIL-TZIWHRDSSA-N 471.583 2.335 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCN(c3ccccc3C)CC2)nnc1[C@]1(OCC)CCOC1 1508149459 VMUPVOZJBKEBDN-DEOSSOPVSA-N 489.642 2.166 30 10 JEEE CCc1ccc([C@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)N(C)C)cc1 1513622698 HCXCKMONLIBKQG-ZRCGQRJVSA-N 474.606 2.487 30 10 JEEE C#CCNC(=O)C1CCN(C(=O)c2cc(Br)nn2-c2ncccc2Cl)CC1 1519094153 HQKZTSQMVMBVOL-UHFFFAOYSA-N 450.724 2.285 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@H](CNC(=O)COc2cccc(Br)c2C#N)C1 1535299153 AQICIGXWADGVIY-ZDUSSCGKSA-N 454.321 2.452 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC[S@@](=O)C(C)(C)C 1539002940 YSJQEHICHIGPGE-INCQDFKNSA-N 450.634 2.243 30 10 JEEE C#CCCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1539053648 WZDPWJLSRJUKEV-GOSISDBHSA-N 482.560 2.288 30 10 JEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 1539120564 XRRKGZHSQLPXOO-INIZCTEOSA-N 451.593 2.087 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H](C(C)C)N1CCOCC1 1539252004 VUORVEULXNBTEG-OAQYLSRUSA-N 451.571 2.392 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2Cc2ccc(C)n(C)c2=O)CC1 1539483069 RPAPEDCDQANLNI-UHFFFAOYSA-N 472.593 2.199 30 10 JEEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@](O)(c2cccc(F)c2)C1 1539578970 GMRDPXIIRIJHAT-FZKQIMNGSA-N 488.383 2.034 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CCOc2ccccc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1539642083 HQYHTBHHBQEXNY-ISQLDUATSA-N 470.570 2.241 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1540872774 ZWGMSQXUQVJWAL-UHFFFAOYSA-N 478.519 2.374 30 10 JEEE Cc1nn(CCC#N)c(C)c1CCC(=O)NC1CCN(S(=O)(=O)Cc2ccccc2)CC1 1544127214 ARLAVZDGJNEWHV-UHFFFAOYSA-N 457.600 2.457 30 10 JEEE COCCN(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1555519443 GWYQJFVORUOAFM-NTKDMRAZSA-N 454.575 2.169 30 10 JEEE CN(c1ccc(CNS(=O)(=O)c2cc(Br)ccc2C#N)cc1)S(C)(=O)=O 1561228108 FGFUVKLBZGVLFN-UHFFFAOYSA-N 458.359 2.195 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccnc(OC2CCCC2)c1 1588180817 LFODFMVKJJRYNL-GOSISDBHSA-N 470.599 2.116 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(N2CCCC2)nc1 1588574807 SSWOTOLSLDSBGF-UHFFFAOYSA-N 460.542 2.055 30 10 JEEE C#CCN(CCOC)c1nnc(Cc2c(F)cccc2F)n1CC1CCS(=O)(=O)CC1 1588659762 NQPPMAPLCNFHRL-UHFFFAOYSA-N 452.527 2.058 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2C[C@@](C)(O)CCOC)CC1 1588899823 XLOQEENPEPCENB-SANMLTNESA-N 491.596 2.089 30 10 JEEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC=C(COC)CC1 1589007381 MPCQGHUALSEDOT-UHFFFAOYSA-N 475.640 2.345 30 10 JEEE C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1593809097 XCPMGGHLNKEQKE-KRWDZBQOSA-N 487.008 2.247 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(c2nc(CC)ns2)CC1 1593884053 AZXSVLUVCCCPSB-CQSZACIVSA-N 472.040 2.063 30 10 JEEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C)C(C)(C)C1 1594812592 HTACWGPMAQJUHO-MSOLQXFVSA-N 455.625 2.076 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2Cc2nncn2C)C1 1595721877 HHTCLPLRDJLLBH-ZWKOTPCHSA-N 472.594 2.351 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CCN2CCCC[C@H]2C1 1595824213 YSXCHXUOPRYSMA-FQEVSTJZSA-N 459.616 2.441 30 10 JEEE COc1ccc(-c2nnc(N(C)[C@@H](C)CC#N)n2CCS(=O)(=O)N(C)C)cc1Br 1619161226 IDCIXRYWFHTMDT-ZDUSSCGKSA-N 485.408 2.346 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)NCC2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)ccc1F 1625657607 WPFNMLMBPIJSRR-HOTGVXAUSA-N 453.536 2.133 30 10 JEEE C#CC[C@@H](CO)NC(=O)CCN(c1ccc(OC)cc1)S(=O)(=O)c1cccc(Cl)c1 1636838507 BUFIEWNBSGVWMR-KRWDZBQOSA-N 450.944 2.434 30 10 JEEE C#CCN(c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCCC)[C@@H]1CCS(=O)(=O)C1 1689987728 BHRVDVXVCHWGQD-QGZVFWFLSA-N 468.583 2.009 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1Cc1cnccc1OC)[C@H]1CCS(=O)(=O)C1 1689996571 KCMYQBSOALBBRP-IBGZPJMESA-N 485.541 2.075 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1Cc1nnc(C)s1)[C@H]1CCS(=O)(=O)C1 1689997034 UOBFRPJEWQFBIL-SFHVURJKSA-N 486.623 2.309 30 10 JEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCn1nc(C)cc1C 1690013062 AERXGXMMXNVRNA-UHFFFAOYSA-N 464.599 2.215 30 10 JEEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2[nH]c(C)c(C)c2c1 1690093884 NBPVAVNUATWJFE-KRWDZBQOSA-N 458.588 2.121 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(OCC)cc3)n2CC(=O)NC(C)C)CC1 1690111673 HOBYIWCONWNMFS-LJQANCHMSA-N 454.575 2.097 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@]2(N(C)C)CCSC2)CC1 1690139288 GLGRFLHCVLSYPA-QHCPKHFHSA-N 456.616 2.250 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCN(C)c1ccccc1 1690206427 QUAYRVLKUGQVCL-ZJSXRUAMSA-N 486.642 2.130 30 10 JEEE C=C(C)COCCn1c(C2CCCC2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1690311395 JJZYMEOZMNZOQU-HXUWFJFHSA-N 467.636 2.159 30 10 JEEE C=CCCCn1c(-c2ccc[nH]2)nnc1N1C[C@@H]2[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1690478953 PFBRRZFELHUOQU-BPQIPLTHSA-N 476.603 2.366 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCc1nccs1 1690672588 XBJSGOZFFVXESH-INIZCTEOSA-N 491.618 2.024 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1690673321 SXFCMJCQEZDVHV-UHFFFAOYSA-N 464.530 2.426 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 1690722196 ARIUBRYZAWGNNK-QGZVFWFLSA-N 476.603 2.387 30 10 JEEE Cn1nccc1[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC(F)F)C1 1696884694 DYKVAFGAKRATOM-KRWDZBQOSA-N 484.511 2.228 30 10 JEEE COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(NC(=O)OC)c1 1698058188 BQZIPGVWRQYYEC-UHFFFAOYSA-N 455.519 2.107 30 10 JEEE CS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nccc(C(F)F)n2)C1 1698297628 BHSLPUNQTRJVMG-OAHLLOKOSA-N 459.482 2.216 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](C(C)C)N1CCOCC1 1705489936 ZLODBHDATIYQPJ-QUCCMNQESA-N 473.647 2.053 30 10 JEEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@H](n2cncn2)C1 1705509279 GFNSTPJIMAGQIV-HXUWFJFHSA-N 482.614 2.432 30 10 JEEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](CC)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1705565884 KEDKXSMWVRMSCF-IHPCNDPISA-N 455.584 2.050 30 10 JEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1CCCn1cccn1)[C@@H]1CCS(=O)(=O)C1 1705571242 XEVZWVUKYJLXFK-HXUWFJFHSA-N 473.002 2.436 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@H]1CSCCS1)[C@H]1CCS(=O)(=O)C1 1705571426 ZEJPHRSIIOMZFC-OALUTQOASA-N 480.656 2.483 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC(=O)NCc1ccco1 1705595946 MKIFTLWBPFQDRT-UHFFFAOYSA-N 483.532 2.047 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)N2CCCC2)n1CCCNC(=O)C(C)C 1705618347 CUQPIHOHRAPJSV-UHFFFAOYSA-N 454.550 2.455 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnn(C)c3)n2CC(=C)Br)n1 1705631692 NCMKWZDEVAWMMP-UHFFFAOYSA-N 459.352 2.070 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2Cc2ccc(NC(C)=O)nc2)CC1 1705649610 COFKFYNHTSRCDW-UHFFFAOYSA-N 489.555 2.376 30 10 JEEE C#CCSCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCN(S(C)(=O)=O)CC1 1705653290 DOTJPLXVCDMGCT-UHFFFAOYSA-N 470.624 2.250 30 10 JEEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1705663674 BSQRICUKRILAAG-UHFFFAOYSA-N 492.634 2.229 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCC2(CCN(C)C2=O)CC1 1705898166 CQBMEJADTXEMFC-UHFFFAOYSA-N 496.612 2.493 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 1705905139 KYPNYWCNDIOYNY-IBGZPJMESA-N 469.590 2.402 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1705932426 DGSJPPMMUKFRBE-IRXDYDNUSA-N 454.618 2.112 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCN(C2CCOCC2)CC1 1705932817 KXJIKTRUKXLSHW-UHFFFAOYSA-N 459.616 2.155 30 10 JEEE C[C@@H]1CCC[C@@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1708036567 CGMPGEBZGFUBAB-HFJQGTKSSA-N 472.615 2.133 30 10 JEEE N#CCC1CCN(c2nnc([C@@H]3CCCCO3)n2CCS(=O)(=O)N2CCSCC2)CC1 1712885272 GBJPHEDKVMTOJM-SFHVURJKSA-N 468.649 2.028 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(Br)ccc1OC 1722281504 YZAWGTNIPZMDCQ-STQMWFEESA-N 470.393 2.166 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cc(Br)c[nH]3)n2C[C@]2(O)CCOC2)c1 1722306114 YCFIPPDVFGKUOS-JOCHJYFZSA-N 499.369 2.243 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2CCCC(=O)N(C)C)c1 1722306625 CWUBKSDIGSLBDK-UHFFFAOYSA-N 459.554 2.189 30 10 JEEE C#CCN(c1nnc(-c2ccc(Br)s2)n1Cc1ccn(C)n1)[C@H]1CCS(=O)(=O)C1 1722359178 IVULZRMTCIMBSS-AWEZNQCLSA-N 495.428 2.178 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCc1ccc(Cl)s1)[C@@H]1CCS(=O)(=O)C1 1722367278 MKEPGVZYVCNDRU-HUUCEWRRSA-N 455.005 2.366 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccc(Cl)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1722369692 DSDRWDGLFFAGBV-SJLPKXTDSA-N 464.975 2.467 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2Cc2ccc3nsnc3c2)CC1 1722444195 HDVMXLVKZRRNGK-INIZCTEOSA-N 483.598 2.021 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCc2ccsc2)CC1 1722444501 ZGRVHXUYLQQRNY-HSZRJFAPSA-N 457.600 2.200 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCC[C@@H]2C)CC1 1722449053 FJXZWZSAHPMRSG-SIBVEZHUSA-N 476.581 2.246 30 10 JEEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN([C@@H]2C[C@H]3CC[C@H]2C3)CC1 1722479028 FBDMWLIJHPHIBE-LTIDMASMSA-N 487.468 2.108 30 10 JEEE C=C(Br)Cn1c(-c2cccnc2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1722484434 RLJYHAGOMZLQLP-IBGZPJMESA-N 460.336 2.063 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cc(Cl)ccc1OC 1722523159 DFVWAEYYMVOLGA-SFHVURJKSA-N 469.995 2.486 30 10 JEEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1722525131 OJDZWYOKINCHQT-UHFFFAOYSA-N 456.576 2.249 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2nc(C)c(C)s2)CC1 1722581102 HGLGBVISJUZHPM-QGZVFWFLSA-N 466.633 2.135 30 10 JEEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](F)[C@@H](c2ccccc2)C1 1722628692 AJGSFEPXFQMFQB-NJYVYQBISA-N 493.605 2.146 30 10 JEEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1722686141 RKABLNUMTVAIDJ-RTBURBONSA-N 489.621 2.355 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](c2cccc(Br)c2)C1 1722692598 SJPJENVNNRUPDZ-QGZVFWFLSA-N 491.390 2.059 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1722700344 FVEOUJQUXGVDAM-SFHVURJKSA-N 456.566 2.441 30 10 JEEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C(C)(C)C)C1 1722738809 PVWBBOCECWLWHI-IAGOWNOFSA-N 457.666 2.403 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1Cc1cccc(N(C)C)c1 1723611876 FQLGJBIEFAIMGQ-UHFFFAOYSA-N 473.585 2.124 30 10 JEEE CN(C)S(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(F)(F)F)CC1 1729342783 HUELXWURJUTMDP-UHFFFAOYSA-N 456.494 2.487 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@H](OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1740621090 TUENDVMNRSPEHK-UTKZUKDTSA-N 474.583 2.014 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1C[C@@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1740628856 VLKCHYUNQWYHTE-WOJBJXKFSA-N 459.616 2.051 30 10 JEEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCC(=O)NCCC 1740639007 REILCAXAKLYVFG-UHFFFAOYSA-N 456.591 2.382 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCc1nc2ccccc2[nH]1 1740655963 GWRFBWSVZJWJAA-SFHVURJKSA-N 450.568 2.152 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C 1740671286 CULWISGNDFPVHY-KSZLIROESA-N 465.620 2.285 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@H](C)N2CCN(CC)CC2)CC1 1740690880 PLQMUEPPLVRXTR-VXKWHMMOSA-N 483.636 2.338 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](C)c2nc(C)cs2)CC1 1740704950 XVFGUBROXCPVQO-OAHLLOKOSA-N 452.588 2.213 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCNC(=O)c2cccc(O)c2)CC1 1740839912 QLFQCHODYPSINQ-LJQANCHMSA-N 473.599 2.108 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CCC[C@@H](n2cncn2)C1 1740952574 IHWIWNOQVXMDHZ-QGZVFWFLSA-N 471.363 2.443 30 10 JEEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1740952886 QAWWZTLTPYVLKF-WOJBJXKFSA-N 451.575 2.163 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@@H](n2cncn2)C1 1740954366 KFMYQGMYUKRCCM-QGZVFWFLSA-N 471.363 2.443 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc3ccccc3o2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1740955198 YHTXPCISNMUZBU-IEBWSBKVSA-N 480.569 2.361 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(CC(F)(F)F)CC1 1740963190 CMTJQWGNEJOZGO-UHFFFAOYSA-N 466.508 2.460 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1740968366 IKSFPKWRPMDVNT-FPOVZHCZSA-N 468.602 2.186 30 10 JEEE C=CCOc1ccccc1Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)NC)CC1 1740970723 BPHXAQMMDKODDN-UHFFFAOYSA-N 464.574 2.214 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCN(C(=O)Cc3ccccc3C)CC2)nnc1C(C)(C)C 1740994985 ZHPSBSJZFUHPDZ-UHFFFAOYSA-N 473.643 2.376 30 10 JEEE CCOC1CC(O)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(C(=O)N(CC)CC)CC2)C1 1746947283 DBMDLGBPNOXUOI-UHFFFAOYSA-N 481.601 2.331 30 10 JEEE C#CCCCn1c(COc2cccc(C)c2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1748759271 DRQGKKQDYPBZSP-QFIPXVFZSA-N 450.587 2.322 30 10 JEEE C#CCN(c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1748804350 FZLNORIGBCZPRT-OAQYLSRUSA-N 494.621 2.068 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCCCN1C[C@@H](C)C[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1748811164 CNEQVRKWHHWMOY-RZUBCFFCSA-N 487.674 2.063 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@@H]1CC(F)(F)CO1)[C@H]1CCS(=O)(=O)C1 1748820911 JEZUTNLQGRFOOE-HKUYNNGSSA-N 480.537 2.216 30 10 JEEE C#CCN(c1nnc(CSc2ccc(C)cc2)n1CC1(O)CCOCC1)[C@H]1CCS(=O)(=O)C1 1748824510 POXCXPGRYMRIIA-IBGZPJMESA-N 490.651 2.047 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC[C@H]1CCCN1C(=O)OC(C)(C)C 1748846560 IXPGJPBAFXDDPR-WOJBJXKFSA-N 489.642 2.433 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(c2ccccc2OC)CCC1 1748962392 GVGPDPVZUIAUMJ-LJQANCHMSA-N 472.611 2.397 30 10 JEEE C#CCN1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCSCC(F)(F)F)CC1 1748986655 GAKKEIJGHUSGHP-UHFFFAOYSA-N 491.543 2.243 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@](C)(O)c2ccsc2)CC1 1749010146 OHJPQDLBFKPUBP-CVDCTZTESA-N 457.600 2.455 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(CCOC)CC1 1749020514 WBCASKBXCLEVOS-UHFFFAOYSA-N 456.616 2.282 30 10 JEEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CN2C[C@H](C)O[C@H](C)C2)CC1 1749193282 FHVDVBCZTXNLMI-WSTZPKSXSA-N 451.637 2.082 30 10 JEEE C=C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1749286922 VHCJTRNIUFOQPD-QGZVFWFLSA-N 463.991 2.453 30 10 JEEE C=CC1CCN(c2nnc(COc3ccccc3OCC)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1749346993 FOWYHFQSVKGNJY-HSZRJFAPSA-N 476.599 2.208 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CCOC2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1749366394 FCZOOLDWRBWCJE-OALUTQOASA-N 467.636 2.015 30 10 JEEE C=CCCOCCn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1749461748 IWFHMAPKLJPXRN-FDFHNCONSA-N 474.650 2.349 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H]1CCOC1 1749547652 VOEPANOBFSMNDQ-GHTZIAJQSA-N 493.605 2.369 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)c(F)c1 1749575680 WDBUGMOQALIILT-GOSISDBHSA-N 453.515 2.116 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1749655377 JLXMBLKCANDXPY-MRXNPFEDSA-N 485.463 2.041 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1749657718 BPIZREBBVHRWDL-UHFFFAOYSA-N 468.583 2.057 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(C(=O)CC2CCCCC2)CC1 1749676206 IPTSCRFKJLORPY-UHFFFAOYSA-N 465.602 2.185 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N(C)Cc1ncc(Cl)n1C 1749736818 PWMKPERMNOPGII-UHFFFAOYSA-N 470.024 2.258 30 10 JEEE C[C@@]1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H](CNS(C)(=O)=O)C2)CCCO1 1751302499 BVSCGJHTYLUSSS-AVRDEDQJSA-N 458.588 2.151 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OCC(F)(F)F)cc1 1760098045 NPCWWMPUWKFQIN-UONOGXRCSA-N 459.494 2.336 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCSCc1ccccc1 1760117137 MWPZAMCSZJWQPU-MJGOQNOKSA-N 463.629 2.002 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1nc2c(s1)CCCC2 1760117285 NRFSRAGMCPDRBZ-AEFFLSMTSA-N 492.671 2.037 30 10 JEEE C#CCN(c1nnc(-c2cc(F)ccc2Br)n1CCOC)[C@@H]1CCS(=O)(=O)C1 1760181613 YJQDBXQWYVWDBV-CQSZACIVSA-N 471.352 2.120 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCOc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1760192803 OBXQISDSXMGXDY-VWPQPMDRSA-N 488.610 2.016 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H]1CN(CC(C)C)CCO1 1760250420 ZFEWNSQCBAXMJT-REWPJTCUSA-N 469.586 2.233 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[C@H](C)N2CCCCC2)CC1 1760256287 UEUFXWYRROQKBB-NRFANRHFSA-N 484.670 2.368 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(CCOC)CC1 1760317223 CINZLCVGPUUMET-RBBKRZOGSA-N 489.642 2.098 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1760322904 ZAONLJMDYAXCGH-OMZCGLGVSA-N 451.637 2.080 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccc(OC)c1 1760336936 LARRGPDGZXLMGR-FQEVSTJZSA-N 463.604 2.265 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](Cc2ccc(F)cc2)C1 1760346385 VWMABLAFUMIZRF-UYAOXDASSA-N 463.579 2.395 30 10 JEEE C=CCCOCCn1c(N2C[C@@H]3CCC(=O)N[C@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1760453461 XEOCRFQGXUFZAP-OKYOBFRVSA-N 474.606 2.356 30 10 JEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1760510157 IDUQFXYIVFHWAG-XHSDSOJGSA-N 457.597 2.030 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC(Cn2cncn2)CC1 1760518575 XJXQCWMNYMHAPK-UHFFFAOYSA-N 470.965 2.417 30 10 JEEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(CCC(C)(C)C)CC1 1760527011 XDXABZBUDQYVNO-UHFFFAOYSA-N 473.647 2.130 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCC(CN2CCOCC2)CC1 1760554764 MAEHXWDEXWWHLZ-UHFFFAOYSA-N 453.653 2.016 30 10 JEEE CCC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCc2n[nH]c(C)n2)CCN1CCOC 1763957164 GXAMKRAENLBILM-OAQYLSRUSA-N 463.590 2.423 30 10 JEEE CN(CC1CCOCC1)c1nnc(COc2ccc(C#N)cc2)n1CC1(S(C)(=O)=O)CC1 1767255606 BWPVVUPTZOYCCY-UHFFFAOYSA-N 459.572 2.169 30 10 JEEE COc1cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H](C)CN2CCCC2)cc(OC)c1OC 1769826838 DUWBMGOPAKGBCS-HKUYNNGSSA-N 470.574 2.432 30 10 JEEE COc1ccccc1OCc1nnc(N2CC[C@@](F)(C#N)C2)n1CCN1CCOCC1(C)C 1770509190 GZCMHSYUIXVKGG-HSZRJFAPSA-N 458.538 2.418 30 10 JEEE N#Cc1ccc(OCc2nnc(N3CCC(O)(C(F)(F)F)CC3)n2C[C@@H]2CCS(=O)(=O)C2)cc1 1771534558 GWHUNTKNNFRCEP-INIZCTEOSA-N 499.515 2.057 30 10 JEEE CCOC(=O)c1c(NC(=O)C(=O)Nc2ccccc2C#N)sc(C(=O)OCCOC)c1C 1860748839 OFFLJMCELYOVJU-UHFFFAOYSA-N 459.480 2.485 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)C(=O)N=c2[nH]nc([C@@H]3CCCO3)s2)c(C(=O)OCC)c1C 1860766582 FWWHABXQCWYQSC-NSHDSACASA-N 494.551 2.278 30 10 JEEE CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccc(O)c([N+](=O)[O-])c1 1862610170 DOVQCVIPBSTRAJ-FQEVSTJZSA-N 469.450 2.212 30 10 JEEE C=CCOc1ccccc1[C@H]1C(C(=O)NCCCO)=C(N)Oc2c1c(C(F)(F)F)nn2C 1864322479 NZKWMZWZOVUOAJ-CQSZACIVSA-N 452.433 2.197 30 10 JEEE C=CCn1cc(OCC(=O)NCCCO)c(=O)cc1CNc1ccc(Br)cc1 1871260204 FGCIBEDGJDDOSJ-UHFFFAOYSA-N 450.333 2.286 30 10 JEEE NC(=O)CSc1nnc([C@@H]2CC(=O)N(Cc3ccccc3)C2)n1/N=C/c1ccccc1F 1874210481 VEHMTPUGZRSETB-LHSRNITLSA-N 452.515 2.393 30 10 JEEE CCOc1ccccc1OCc1nnc(SCC(N)=O)n1/N=C/c1cccc(OC)c1O 1874241313 ZUIOKMOVVGPMBB-FOKLQQMPSA-N 457.512 2.430 30 10 JEEE CCCN(CCC)C(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1cccc(OC)c1O 1874434803 YCPDURLANOSPOL-FSJBWODESA-N 462.576 2.251 30 10 JEEE CC(=O)NCc1nnc(SCC(=O)N[C@@H](C)c2ccccc2)n1/N=C/c1ccccc1C(=O)O 1874436241 RWNWKSFEORLEMB-FCUAXUHVSA-N 480.550 2.464 30 10 JEEE CCCc1nnc(SCCCO)n1/N=C/c1ccc(OCCN2CCOCC2)c(OC)c1 1874510592 QKVBZIGHEWTAIG-HAVVHWLPSA-N 463.604 2.307 30 10 JEEE CC(C)(C)OC(=O)N1CCC(C(=O)O)(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC1 2120497762 DTUIGBAZVZNPQB-HNNXBMFYSA-N 466.535 2.060 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@H](NS(=O)(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2255753466 QCDPAVSXTWCCIR-SHTZXODSSA-N 452.382 2.320 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1S(=O)(=O)NC[C@@H](C)NC(=O)OC(C)(C)C 2255794355 KVKDNPMRNKGMJN-OAHLLOKOSA-N 454.398 2.486 30 10 JEEE CC(C)(C)OC(=O)N1CCCN([S@](C)(=O)=NC(=O)C#CB2OC(C)(C)C(C)(C)O2)CC1 2255858981 VWQPLNHHWUZNFE-WJOKGBTCSA-N 455.386 2.103 30 10 JEEE CC(C)(C)OC(=O)N1CCCO[C@H](CNC(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267014543 AAZUWAHGEVOGQR-MRXNPFEDSA-N 450.341 2.335 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(C)CCOCCNC(=O)OC(C)(C)C 2267122313 JNLGCLKLDFGWCI-UHFFFAOYSA-N 469.413 2.364 30 10 JEEE COCC1(CNC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2267159955 UFFKVOHOIFSATG-UHFFFAOYSA-N 467.397 2.056 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]1NS(=O)(=O)Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2267465637 PRGHVPZYFYTGOU-WMZOPIPTSA-N 466.409 2.318 30 10 JEEE C=C(CS(=O)(=O)NC[C@@]12CN(C(=O)OC(C)(C)C)C[C@H]1CCO2)B1OC(C)(C)C(C)(C)O1 2267471139 QIUFKGNIKATHPV-IIBYNOLFSA-N 472.413 2.119 30 10 JEEE Cc1c(B2OC(C)(C)C(C)(C)O2)csc1C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1CO 2267582894 KBOLJOCPYDXEQR-OAHLLOKOSA-N 466.409 2.410 30 10 JEEE CN1CCN(C(=O)OC(C)(C)C)[C@H](CNC(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2267592239 KYOFDJZLDLREDC-OAHLLOKOSA-N 465.425 2.328 30 10 JEEE C[C@@H](CNC(=O)OC(C)(C)C)N(C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(O)cc1O 2267810630 JLPHOUPHFLYGEN-ZDUSSCGKSA-N 450.341 2.382 30 10 JEEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2269689723 DKXJPAPUTXQHPY-CXAGYDPISA-N 452.332 2.015 30 10 JEEE CC(C)(C)OC(=O)N1CC(CNC(=O)c2scc(B3OC(C)(C)C(C)(C)O3)c2Cl)(C(N)=O)C1 2281932664 OUPVAUSHPXLYAH-UHFFFAOYSA-N 499.826 2.153 30 10 JEEE CC(C)(C)OC(=O)N1[C@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)C[C@H]2COC[C@H]21 2282009198 OUCKOTNJINSOMA-OFQRWUPVSA-N 479.408 2.197 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C[C@]12CCOC2 2282009567 QBGOYSYIUTYLGK-FPTDNZKUSA-N 479.408 2.341 30 10 JEEE CC(C)(C)OC(=O)N1CCn2[nH]c(=NC(=O)c3occc3B3OC(C)(C)C(C)(C)O3)cc2C1 2282038851 NWUGWEVBQWHUSS-UHFFFAOYSA-N 458.324 2.200 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2CC3(CC3)CN2C(=O)OC(C)(C)C)n1 2282051773 WKLPUWHBQZHTQF-OAHLLOKOSA-N 460.384 2.239 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C[C@H]1CO 2282175057 JALCJFLJEHMFEA-PKOBYXMFSA-N 460.380 2.334 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)C2 2282188477 WNTDSHAYLKFWNV-JYJNAYRXSA-N 458.368 2.294 30 10 JEEE CC(C)(C)OC(=O)NC1(C(N)=O)CCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)CC1 2282200145 KDNYIDSOKOLJJA-UHFFFAOYSA-N 479.408 2.032 30 10 JEEE Cc1c(C(=O)N(CCNC(=O)OC(C)(C)C)CC2CC2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282541840 DYHOTRKHPCPUSG-UHFFFAOYSA-N 462.400 2.405 30 10 JEEE Cn1ncc(C(=O)N2[C@H]3CC[C@H]2[C@@H](CNC(=O)OC(C)(C)C)C3)c1B1OC(C)(C)C(C)(C)O1 2282571289 ASRMOBDXLKEJMV-VYDXJSESSA-N 460.384 2.237 30 10 JEEE Cc1ccnc(C(=O)NC[C@@H]2CCCN(C(=O)C(F)(F)F)C2)c1B1OC(C)(C)C(C)(C)O1 2282571715 DZSLSWYMZKDPRP-AWEZNQCLSA-N 455.286 2.220 30 10 JEEE Cc1cc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)cc(C)c1B1OC(C)(C)C(C)(C)O1 2282654668 LKTCPNWSEYIUQW-MSOLQXFVSA-N 460.380 2.313 30 10 JEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H]1C[C@H](OCc2ccccc2)C1(C)C 2282865543 VSKBSEFBGBUIPZ-ROUUACIJSA-N 475.420 2.382 30 10 JEEE COC(=O)[C@@H](CS(=O)(=O)Nc1sc(C)c(C)c1C#N)NC(=O)OCc1ccccc1 2286024704 XTSHAKRMWHPXPD-MRXNPFEDSA-N 451.526 2.446 30 10 JEEE COc1ccc(CNC(=O)[C@H](CNC(=O)OC(C)(C)C)OC)cc1B1OC(C)(C)C(C)(C)O1 2296176235 JFRHDRJEEZJZTR-SFHVURJKSA-N 464.368 2.150 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(F)(F)F)n1C 2362333719 VPJTYPAZXGKODP-GFCCVEGCSA-N 476.305 2.213 30 10 JEEE CCOc1ccc(CCNC(=O)Cc2ccc(/N=C3\N[C@H]4CS(=O)(=O)C[C@H]4S3)cc2)cc1 9530051 QUPCSLYLOKTBHH-LEWJYISDSA-N 473.620 2.476 30 10 JEEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(S(=O)(=O)N(CC)CC)cc2)cc1 15438511 SPQNBCGHCXWCCB-UHFFFAOYSA-N 451.570 2.434 30 10 JEEE COC(=O)c1ccc([C@H]2/C(=C(/O)c3cnc(C)nc3C)C(=O)C(=O)N2CCCN(C)C)cc1 102757613 AACDPTKPIFGPRY-LCPUNJGISA-N 452.511 2.253 30 10 JEEE C=CCNC(=O)CN1CCN(CC(=O)N(C/C=C\c2ccccc2)c2ccc3c(c2)OCCO3)CC1 514712771 MIIIWDFDZXVPRV-TWGQIWQCSA-N 490.604 2.424 30 10 JEEE COc1cccc(/C=C/C(=O)[C@@H]2CNCC[C@@H]2NC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)c1 585830826 GQCZNELOYRHJGF-ZUYUMKPFSA-N 461.518 2.057 30 10 JEEE C=CCN(CC=C)C(=O)Cn1c(=CC(=O)C2CC2)sc(=Cc2ccc3c(c2)CCCN3C)c1=O 748095604 KIQGRBRAHQGUOY-UHFFFAOYSA-N 477.630 2.081 30 10 JEEE CC#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@@](C)(O)C(=O)O 757206044 DDPSSWMURVWFFM-SQJMNOBHSA-N 450.491 2.259 30 10 JEEE CC#CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](CCO)C(=O)O 757210935 NEYNUOHILHQETN-YADHBBJMSA-N 450.491 2.259 30 10 JEEE CC#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@](C)(CO)C(=O)O 757212183 PXOFSHVOFZIEMF-SQJMNOBHSA-N 450.491 2.259 30 10 JEEE C#CC1(O)CCN(C(=O)[C@H](CC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)CC1 757470216 ULEZPZVJXICYFS-QFIPXVFZSA-N 462.502 2.355 30 10 JEEE C=C[C@]1(C)CC(=O)[C@]2(O)[C@@](C)(O1)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1C(C)(C)CC[C@@H](O)[C@]12C 1077995456 ZSBZMJGJWOYRBW-YWTQXSKISA-N 452.544 2.091 30 10 JEEE C#CCC(C)(C)C(=O)Nc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)c(Br)c1 1125426743 RQUHWLIDCLUTIF-UHFFFAOYSA-N 451.364 2.163 30 10 JEEE Cc1c(C#N)nn(-c2ccccc2)c1NC(=O)c1ccc(S(=O)(=O)CC(=O)N(C)C)cc1 1129392590 FVAXFLAGAKYSNO-UHFFFAOYSA-N 451.508 2.167 30 10 JEEE C=CCOC[C@H](NC(=O)c1cc(C)c(C)c(S(=O)(=O)N2CCC(C)CC2)c1)C(=O)OC 1139175714 KDCYITFKDPIZJJ-IBGZPJMESA-N 452.573 2.198 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCCO[C@H]1C1CCN(S(=O)(=O)c2ccc(C#N)nc2)CC1 1191035358 FZYCFJFRUNEYGQ-OALUTQOASA-N 450.561 2.426 30 10 JEEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CCc1ccc(C)cc1C)[C@@H]1CCS(=O)(=O)C1 1286385699 ZAWCWSGRVJQFBX-RCZVLFRGSA-N 486.638 2.416 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1C[C@H](C)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1286388479 PSVYXWKSKXMEDY-FUHWJXTLSA-N 496.008 2.085 30 10 JEEE C#CCN(c1nnc(C2CC2)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C)[C@H]1CCS(=O)(=O)C1 1286388850 BZFNCRVXKLNHKI-ROUUACIJSA-N 465.620 2.332 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC1CCN(CCC)CC1)[C@@H]1CCS(=O)(=O)C1 1286389563 MKDMYHNERBGYRW-OAQYLSRUSA-N 470.643 2.397 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H](c1ccc(C)cc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1286398735 NUKWPMIKISKXFZ-YPAWHYETSA-N 471.627 2.368 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2ccsc2)n1CCOc1ccc(S(C)(=O)=O)cc1 1286413466 ULKUFFXVVHIZAX-UHFFFAOYSA-N 454.577 2.486 30 10 JEEE C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1CCc1nnc2n1CCCCC2 1286465987 APQKOWLBMDVRNR-UHFFFAOYSA-N 454.604 2.280 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCCOc2ccc(F)cc2)CC1 1286473443 SOCKHSBCRYYAEW-DEOSSOPVSA-N 457.550 2.294 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCOC2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1286554911 IXMXHUPJCTXULP-VQHPVUNQSA-N 457.497 2.268 30 10 JEEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1286633600 JVJBXJRAOQJJIB-ZJOUEHCJSA-N 481.041 2.278 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1286759000 YCSRUNOOJMVNBT-DLBZAZTESA-N 477.553 2.012 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C)C[C@@H]1c1cccc(OC)c1 1286778420 DEDCESCOUGQVHO-FXAWDEMLSA-N 452.559 2.412 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2C[C@@H](C)N(C)C)C1 1286806410 YATRKMMGYQIWAR-AEFFLSMTSA-N 461.636 2.278 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCc2ccc(OC)cc2)nnc1N1CCc2oncc2C1 1286823058 QYJZWJIQYMYULD-UHFFFAOYSA-N 457.556 2.223 30 10 JEEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@](C)(CC)C1 1286824485 YYNBYDMOWJCENX-HXUWFJFHSA-N 451.618 2.497 30 10 JEEE C=CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CCN(CCOC)C(=O)C1 1286825901 QWGLGKDCUZKVFZ-UHFFFAOYSA-N 483.436 2.260 30 10 JEEE C=CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1286834318 DEUKDZTXNVJKBE-XMMPIXPASA-N 495.609 2.462 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CC[S@@](=O)C(C)(C)C)c1 1300331908 ULFNOSLNTOBGNT-UUWRZZSWSA-N 484.626 2.118 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[C@H]2C[C@H](F)C2)c1 1300334318 LOGCVEIUUJAWPO-GUDVDZBRSA-N 473.574 2.375 30 10 JEEE C#CCCCn1c(-c2ccccc2)nnc1N1C[C@@H]2[C@H](C1)[C@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1300398950 DHDCMUFYMGFKEK-VAMGGRTRSA-N 485.610 2.485 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC1CCS(=O)(=O)CC1 1300527318 FJTBPEZHFMQEKM-UHFFFAOYSA-N 492.605 2.134 30 10 JEEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1C[C@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 1300545608 SJKSHZRVBIXGBU-LJQANCHMSA-N 466.586 2.263 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(C)c(Br)c2)n1CCNS(=O)(=O)CC 1300565564 RKQHPZDMDIMPCL-UHFFFAOYSA-N 478.416 2.418 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCC(=O)N2CCCCC2)CC1 1300682258 JGZHIZCFIFNTPO-UHFFFAOYSA-N 477.613 2.305 30 10 JEEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCSC(CC)(CC)C1 1300764259 VBPUBJDLZIVPKB-QGZVFWFLSA-N 487.717 2.089 30 10 JEEE C#CCSCCn1c(N2CCN(C(=O)c3ccco3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1300777771 CNNXTEDZNZXRQW-HSZRJFAPSA-N 473.599 2.241 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1300887734 GIDCZJXVELCQMO-UNMCSNQZSA-N 459.616 2.474 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@H]1C 1300892763 VFWFYZSOAVWNHG-LZNRXBQRSA-N 450.543 2.377 30 10 JEEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCCN(C(=O)c2ccccc2)CC1 1301260102 WOZDXBXDOUMQSR-UHFFFAOYSA-N 466.586 2.346 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)C1CC1 1301363262 QGURNBUYERXLOW-WIYYLYMNSA-N 481.644 2.026 30 10 JEEE C=CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 1301467822 WIUPLZJPPVTIIC-IBGZPJMESA-N 472.615 2.413 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)c2ccccn2)CC1 1301491593 LUWWDLWQYIGVNZ-UHFFFAOYSA-N 465.945 2.258 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ccccc2C)CC1 1301568906 YZBJUHIYKFWPNH-UHFFFAOYSA-N 495.609 2.161 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN([C@H](C)c2nc(C(C)C)no2)CC1 1301585002 GVRUDSARRUTSQJ-MRXNPFEDSA-N 463.608 2.146 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCN(c2ccccc2)CC1 1301596072 GWQYISPGNYPRDN-UNMCSNQZSA-N 489.642 2.320 30 10 JEEE C=C(C)C[C@H](NS(=O)(=O)c1cc(Cl)c(OCC(=O)N(C)C)c(Cl)c1)C(=O)OC 1309759929 BEXDIQRNVGTQRP-AWEZNQCLSA-N 453.344 2.247 30 10 JEEE COCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1315962850 GQHZHCGPSAOIRD-OFVILXPXSA-N 468.602 2.153 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCN(C)C(C)(C)C1 1358891929 PBQNSXQYSPVMFS-UXHICEINSA-N 489.665 2.070 30 10 JEEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1CC(=O)NCC(F)F 1358897235 VTIZWKLESQRHIW-LBPRGKRZSA-N 456.291 2.459 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCCO3)n2C[C@@]2(O)CCSC2)c1 1358901998 CFURCCBAQCPKIT-XXBNENTESA-N 455.584 2.444 30 10 JEEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1358919689 HXDNQYZVYSWIBE-QFIPXVFZSA-N 476.002 2.290 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(F)(F)Br 1358972298 ZXVHFOVCVJXWJR-UHFFFAOYSA-N 486.342 2.256 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2C[C@@H](CC)NC(=O)OC(C)(C)C)CC1 1359036933 OFFLFGRSIINWJP-LJQANCHMSA-N 453.591 2.322 30 10 JEEE C#CCSCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1359052081 UBUMUTQWNKLGCK-UHFFFAOYSA-N 487.029 2.236 30 10 JEEE C=C(Cl)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1359148853 FLFKYKKPZDPFJH-CQSZACIVSA-N 462.963 2.051 30 10 JEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)c1ccccn1)C1CC1 1359251646 RDFLGUCIMWBMSL-GOSISDBHSA-N 460.604 2.139 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1359291908 DSPJFWPBBZOGPJ-MHECFPHRSA-N 472.565 2.160 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CCN2CCCC[C@H]2C)CC1 1359331809 IMLWFYZOXWOBHW-CTNGQTDRSA-N 492.690 2.311 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CC[C@@](O)(Cc2cccc(Cl)c2)C1 1359332796 HDVPSFOVXDHCSP-XMSQKQJNSA-N 481.018 2.220 30 10 JEEE CC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCCO[C@@H](C)C2)C1 1359417880 HCPPNDHQWRLYKA-CVDCTZTESA-N 465.602 2.423 30 10 JEEE CC(C)c1ncc(CN(C)c2nnc(-c3cccc(C#N)c3)n2CC(=O)N2CCOCC2)cn1 1359673495 DBHOSTUXCGYNDR-UHFFFAOYSA-N 460.542 2.225 30 10 JEEE C=C[C@](C)(O)CC(=O)NCCN1C(=O)S/C(=C\c2cc(OC)c(OC)c(OC)c2)C1=O 1463948822 XCWGBPDVACIWOX-NIHHCSOHSA-N 450.513 2.192 30 10 JEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2cnc(C)s2)CC1 1507563801 JCGRHAWUMBDGRS-GOSISDBHSA-N 462.645 2.071 30 10 JEEE C#CCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1507587868 BFUQHLAYSCROIT-GHTZIAJQSA-N 473.599 2.312 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Cl)n1CCC(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 1507627625 FDUOJFUHSAXUIM-MRXNPFEDSA-N 463.991 2.140 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1Cc1ncccc1N(C)C)[C@H]1CCS(=O)(=O)C1 1507628686 PUFNWJUIPGNHEW-IBGZPJMESA-N 480.594 2.090 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC1([S@](C)=O)CC1 1507661967 NEFVGKHXIZIFRE-YTTGMZPUSA-N 456.568 2.345 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2C[C@]2(O)CCN(C)C2)CC1 1507736866 UOAUEVCYOGRJRH-ZBLYBZFDSA-N 494.640 2.067 30 10 JEEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H](C)[C@H](OC)C1 1507749670 YJSVHKPIEFXDBC-FXAWDEMLSA-N 477.656 2.423 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 1507751803 REQPFDGULHIFKT-QZTJIDSGSA-N 497.687 2.288 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N(C)Cc1ccc(C(N)=O)cc1 1507806353 MXLJYENYVGOQDQ-UGKGYDQZSA-N 452.559 2.117 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1 1507844326 HYCCWAXODIJEPP-VGSWGCGISA-N 464.563 2.010 30 10 JEEE C=C(Cl)Cn1c(-c2ccccc2F)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1507860044 IANHTCXFWGJUTA-INIZCTEOSA-N 469.970 2.468 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(C)nn(Cc2ccccc2)c1C 1507979742 CDBMEZJZXUQWTO-QFIPXVFZSA-N 499.641 2.143 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1508095247 UIJFKMDHRHBSFR-CJNGLKHVSA-N 457.428 2.454 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C)N2CCc3ccccc3C2)C1 1508109774 NYXMGLRDYYFYLW-CNNODRBYSA-N 488.658 2.116 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC(=O)NCC(F)(F)F)C1 1508118624 WISWERZPJBUNNX-OAHLLOKOSA-N 469.464 2.422 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@@H]1C 1508132570 ZUIRLYOEJFZKDW-HNNXBMFYSA-N 451.980 2.451 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCC(NC(=O)NC2CCCCC2)CC1 1508142729 GDVJKPQDVUGLBU-UHFFFAOYSA-N 478.663 2.432 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCC(F)(F)CC1 1508143168 FBNRSNLEZHFNJB-UHFFFAOYSA-N 450.515 2.353 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCN(Cc2ccc3c(c2)OCCO3)CC1 1508146532 YMCDUMZPXAOCOQ-UHFFFAOYSA-N 489.642 2.171 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc(Cc2ccccn2)n1CCCN1CCN(c2ccncc2)CC1 1508422041 FDQJZQUQGRNATD-NRFANRHFSA-N 459.602 2.467 30 10 JEEE CC(C)(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1)c1cccs1 1508712219 DQZJNJUFJZSBLV-KRWDZBQOSA-N 478.644 2.390 30 10 JEEE CCOC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC(=O)N(CCOC)C2)C1 1516065344 FXQCYCYJBDPQQI-CTNGQTDRSA-N 495.584 2.027 30 10 JEEE CN(C[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nccs2)C1)S(C)(=O)=O 1517222823 ATYCJKTXDIIPQD-KRWDZBQOSA-N 471.612 2.429 30 10 JEEE CS(=O)(=O)CCCn1c(-c2ccccn2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1519521083 DFLDHQCCMDOWIT-HXUWFJFHSA-N 452.540 2.224 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1ccccc1)C1CC1 1539012879 GUJSVDGYWPDPPQ-YYWHXJBOSA-N 457.600 2.263 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@@H](C)N(C)C1CC1)[C@H]1CCS(=O)(=O)C1 1539229872 JABYFEPTLVJCBX-CTNGQTDRSA-N 471.627 2.275 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(C#N)cc2)n1CC1(N2CCOCC2)CC(OCC)C1 1539246244 KQVNCVGBSQQOPF-UHFFFAOYSA-N 458.566 2.159 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2Cc2cc(OC)c(OCC)c(OC)c2)CC1 1539462905 PLWGKKFGZUUQRK-LJQANCHMSA-N 455.559 2.349 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2cc(C(C)(C)C)no2)CC1 1539487882 AJUVLMNZQACSCR-UHFFFAOYSA-N 478.601 2.439 30 10 JEEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1539519961 LJQNYMHFJMLFLV-UHFFFAOYSA-N 477.594 2.172 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(O)cc2)CC1 1539599220 ASSNUGTYURDIPF-OAHLLOKOSA-N 482.404 2.121 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1539644463 OVRUHGZWPHYUFD-QKNQBKEWSA-N 457.579 2.398 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(C(=O)CCC3CCCC3)CC2)s1 1540722344 OIHNIWKEJYJCKD-UHFFFAOYSA-N 453.630 2.396 30 10 JEEE C=CCOc1ccccc1Cn1c(Cc2cccnc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1540881484 KIEPFUFKLLWNNB-UHFFFAOYSA-N 482.610 2.349 30 10 JEEE Cc1cc(C)n(Cc2nnc(N3CCN(c4ccc(C#N)cn4)CC3)n2CCC(=O)NC(C)(C)C)n1 1543061403 CKGCEDINHJLFCD-UHFFFAOYSA-N 490.616 2.038 30 10 JEEE CC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCN2CCCO)CCO1 1546769148 ADJNIMKIFFFPNV-NHCUHLMSSA-N 454.575 2.191 30 10 JEEE CCCOc1ccc(-c2nnc(N(C)[C@@H](C)CC#N)n2C[C@@]2(O)CCS(=O)(=O)C2)cc1OC 1547260861 GHWFIJHLNIFXKU-AOMKIAJQSA-N 477.587 2.030 30 10 JEEE C=CCN([C@H](Cc1ccccc1)C(=O)OCC)S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 1561471342 WXDYEINYJOOLDP-HXUWFJFHSA-N 451.566 2.441 30 10 JEEE CC(C)(O)CC[C@H](O)[C@](C)(O)[C@@H]1CC[C@]2(O)C3=CC(=NO)[C@@H]4C[C@H](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@@]12C 1565518694 CBQFTGKSOCYQEV-GQKXKKDDSA-N 495.657 2.115 30 10 JEEE C#CCCCCn1c(N2CCC(OCC(N)=O)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1587793389 LNHDLFRORVCPPB-HDICACEKSA-N 474.606 2.323 30 10 JEEE C#CCN(c1nnc(C(C)C)n1CCCCn1cc(Br)cn1)[C@@H]1CCS(=O)(=O)C1 1588030442 VNMSGRQEICMIOC-QGZVFWFLSA-N 483.436 2.468 30 10 JEEE C#CCN(c1nnc(COCC)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1588075112 XWXOIYFWFJZZNS-NSHGMRRFSA-N 452.621 2.283 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1CCN1CCOCC1(C)C 1588559842 LAFAIYMZHJQKTA-UHFFFAOYSA-N 468.577 2.290 30 10 JEEE C#CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CCO[C@H](C)C1 1588581252 LXMGRHMSDGZLMK-IEBWSBKVSA-N 474.631 2.448 30 10 JEEE C#CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)CCNC(=O)C(C)C 1589053136 IFYXSUVOZAEXEL-UHFFFAOYSA-N 453.572 2.169 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1c(C)nn(C)c1C 1589548196 YGIZLNHXZAFQRW-BJLQDIEVSA-N 462.620 2.148 30 10 JEEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1593636582 OCBHCQNXKYYADW-GVDBMIGSSA-N 453.609 2.496 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[C@H](N2CCOCC2)C(F)(F)F)CC1 1594236501 DHPWAMPHNDRMLQ-MSOLQXFVSA-N 491.580 2.236 30 10 JEEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(F)cc2)CC1 1595844620 FOJPGLDXWLKCGN-INIZCTEOSA-N 468.624 2.273 30 10 JEEE Cc1nc(N2CCOCC2)sc1-c1nnc(N2CCC[C@](C)(C#N)C2)n1CCNC(=O)C(C)C 1611847632 ATGHAEJNJIVGNQ-HSZRJFAPSA-N 486.646 2.449 30 10 JEEE Cc1nc(C)c(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(CCC#N)CC2CC2)s1 1612380319 CFKIJTIHYUPEFK-SFHVURJKSA-N 493.659 2.057 30 10 JEEE CS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC([C@H]2CCCO2)CC1 1620166763 IFHYAAVPBVNEFZ-HXUWFJFHSA-N 459.572 2.169 30 10 JEEE C#C[C@H](NC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1F 1631538394 PRAGGJYKNMHFKH-HNNXBMFYSA-N 454.867 2.339 30 10 JEEE C#CC[C@H](NC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCc3ccccc32)c1)C(=O)OC 1638827227 SMELXAMWDSUKKV-SFHVURJKSA-N 456.520 2.131 30 10 JEEE C#CCN(CC(=O)NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S)CC1CC1 1644962687 LPCYVKMEBPZWDJ-YBFXNURJSA-N 457.577 2.078 30 10 JEEE C#CCCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(S(C)(=O)=O)CC1 1689881702 ZOIMRRAYIGCEDN-UHFFFAOYSA-N 451.980 2.492 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1ccc(C(C)(C)O)cc1)[C@@H]1CCS(=O)(=O)C1 1689989366 DXTLNZAXMAHWPC-NHCUHLMSSA-N 472.611 2.422 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@H](c2cccc(OC)c2)N(C)C)CC1 1690141828 CLZBAABANIBESJ-HSZRJFAPSA-N 488.596 2.012 30 10 JEEE C=CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCN1CCOCC1(C)C 1690523538 DXXOQGJSZYZLPI-UHFFFAOYSA-N 451.575 2.408 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1690603419 AVTJYDIFOAIBDY-NHCUHLMSSA-N 459.616 2.299 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1690660445 HSVQWHLLKPWEFZ-SJORKVTESA-N 498.563 2.434 30 10 JEEE CCn1cccc(Cn2c(C3CCN(c4ncccn4)CC3)nnc2N(C)[C@H](C)CC#N)c1=O 1695792906 GGHQIJNYVAYBQG-GOSISDBHSA-N 461.574 2.420 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1CC(C)(C)OCC)[C@H]1CCS(=O)(=O)C1 1705570167 KSVKGZRLWSDKAJ-IBGZPJMESA-N 460.600 2.319 30 10 JEEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 1705637625 FLKBHVPFBJTHNK-LJQANCHMSA-N 468.606 2.081 30 10 JEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)CCC2CCCC2)CC1 1705664045 IRYGYJINHQMUSJ-UHFFFAOYSA-N 472.659 2.386 30 10 JEEE C=C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1705761141 BSJAPCVOXDOVDG-SFHVURJKSA-N 493.033 2.299 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1705895393 FVBABDOWMLUHMR-JOCHJYFZSA-N 489.418 2.311 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@]2(C)CN(C)C2=O)C1 1705917374 TTZUFVDTNHFPCD-YWZLYKJASA-N 463.380 2.306 30 10 JEEE Cn1cnc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(NC(=O)OC(C)(C)C)CC2)n1 1711267924 CQQAOKSALTYSBT-UHFFFAOYSA-N 463.546 2.487 30 10 JEEE CO[C@@H]1COCC[C@@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@](F)(C#N)C1 1712090577 BTGRKSSSYKIMCV-CDMIOBSGSA-N 476.940 2.355 30 10 JEEE C#CCCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCS(=O)(=O)CC1 1722314119 HPXIMQDBCGVVCC-UHFFFAOYSA-N 468.583 2.274 30 10 JEEE C#CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@]2(CCOC2)C1 1722317600 UHAUZMZQKZNAPM-NTKDMRAZSA-N 475.590 2.386 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCc2cccc(OCC)c2)CC1 1722440318 CLKGXZGQZFDGMZ-UHFFFAOYSA-N 466.586 2.024 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCc2csc(C(C)C)n2)CC1 1722445946 GQJFPSZAWSOIHU-UHFFFAOYSA-N 466.615 2.467 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](OCC)c2ccccc2)CC1 1722449077 FXGVVGPPYOCZND-JOCHJYFZSA-N 478.597 2.144 30 10 JEEE C=C(Br)Cn1c(-c2cccc(C)n2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1722481958 NEENUSHPEPPGGL-FQEVSTJZSA-N 474.363 2.372 30 10 JEEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 1722523123 BKJMENCELQWMTG-WBVHZDCISA-N 452.602 2.357 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(C)=O)C[C@H]1C)C(C)C 1722664484 AMQWMCTWBAIBKI-KNQAVFIVSA-N 454.623 2.434 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC[C@@H](CC(N)=O)C1 1722723850 GWUCPXJOGISAGV-SFHVURJKSA-N 482.610 2.494 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N(CC)C[C@H]1COc2ccccc2O1 1722726512 CJIBISPFJOIYFB-KRWDZBQOSA-N 470.555 2.002 30 10 JEEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCN(c2cccc(F)c2F)CC1 1722731013 AXJQFKCIOAEABT-UHFFFAOYSA-N 455.531 2.020 30 10 JEEE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3cccc(C#N)c3)n2CC2([S@@](C)=O)CCC2)C1 1722753625 FCCGVGLMFKHZQP-AYLZSAKASA-N 454.600 2.423 30 10 JEEE COCC[C@@](C)(O)Cn1c(-c2ccccc2F)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1730629096 CLJQDSGULXXPDQ-XMMPIXPASA-N 482.564 2.112 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccc(C(N)=O)nc1 1740562233 JWNLMTJNUBITRN-BHYGNILZSA-N 453.547 2.049 30 10 JEEE C#CCN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCS(=O)(=O)N1CCSCC1 1740599639 DHHGWTPPBFDYBD-LJQANCHMSA-N 477.656 2.483 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1CCCc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1740623209 PXORGNRDLWPYOM-IBGZPJMESA-N 454.531 2.134 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](C(C)C)N1CCOCC1 1740652602 GSRBFDCXTUAZCI-QFIPXVFZSA-N 497.669 2.058 30 10 JEEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCCO[C@H]2CCOC2)CC1 1740699612 NBXFRVOQOHMKGI-QFIPXVFZSA-N 453.587 2.425 30 10 JEEE C#CCN1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CCCS(C)(=O)=O)CC1 1740700227 KMMACJXWUSHLCZ-UHFFFAOYSA-N 468.048 2.414 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC2([S@@](C)=O)CCC2)CC1 1740702129 WKELCUOEMISLSE-PGUFJCEWSA-N 499.637 2.229 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCc2ccc(OC)c(OC)c2)CC1 1740706053 QSJXMXXBIIXMFP-HXUWFJFHSA-N 467.570 2.008 30 10 JEEE C#CCSCCn1c(N2C[C@H](C)O[C@@]3(CCCOC3)C2)nnc1[C@]1(OCC)CCOC1 1740722012 AYAJIGINIJGRIP-NYVOZVTQSA-N 450.605 2.071 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](c1cccc(F)c1)N(C)C 1740726172 YSPWLFJUNOFNFI-XWFZLUIHSA-N 462.595 2.322 30 10 JEEE C=C(Br)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1740747588 OUYSPPDSAZZRGE-HNNXBMFYSA-N 452.357 2.325 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCn1cncn1 1740941963 XQXUKRIVDNHHMY-SFHVURJKSA-N 460.583 2.323 30 10 JEEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@](C)(OC)CC1 1740952918 QTKRCWMYWRBTQN-QHCPKHFHSA-N 489.646 2.244 30 10 JEEE C=CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1741005912 VECZJGYBBOQTHR-QGZVFWFLSA-N 490.655 2.016 30 10 JEEE CC(C)(C)OC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC(F)F)CC1 1741214432 BXRVURXBGWSKMG-UHFFFAOYSA-N 475.500 2.255 30 10 JEEE CCN1CCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccccc2C#N)CC1 1746404712 BRKZVMMYTUNVFB-HXUWFJFHSA-N 450.591 2.099 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1ccc(O)cc1 1748751647 JHSAURSWZUGMRF-WOJBJXKFSA-N 459.572 2.072 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CCCCOC)[C@H]1CCS(=O)(=O)C1 1748819364 NSNSVBADXSVPNW-INIZCTEOSA-N 452.527 2.200 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1CCN(C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1748823908 FKRROYVETRNKHK-OAQYLSRUSA-N 473.643 2.441 30 10 JEEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ncccc1C 1748958898 IEXKFDHTEBMVFT-UHFFFAOYSA-N 453.572 2.076 30 10 JEEE C#CCN(CCOC)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1748968136 BKJTYRWZXIOANW-JPYJTQIMSA-N 473.599 2.084 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@](C)(O)c2ccsc2)CC1 1748979214 XQPAGYAMKNAIML-PKTZIBPZSA-N 459.616 2.043 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H]2CCCO[C@H]2C(C)C)CC1 1749008891 ISNSQFAVHVNNFT-CTNGQTDRSA-N 453.591 2.096 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CCO[C@H]2C(C)C)CC1 1749015795 NUJVPDZNJLFUEB-GGAORHGYSA-N 467.618 2.167 30 10 JEEE C#CCSCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)CC(=O)NC(C)(C)C 1749023627 YUWSKLQMQKUNKK-UHFFFAOYSA-N 491.687 2.264 30 10 JEEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1749109091 CCTUCAMMVKHSIO-UHFFFAOYSA-N 491.390 2.481 30 10 JEEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1749402141 KKYSMMAOEKOJCU-VAMGGRTRSA-N 451.637 2.084 30 10 JEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)c1ccc(OC)cc1 1749488382 JNXRCNQLISCGNR-LJQANCHMSA-N 463.604 2.220 30 10 JEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCC)Cc1ccc(F)cc1F 1749629968 LVNKUENOKOOTHD-GOSISDBHSA-N 455.531 2.492 30 10 JEEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(C)[C@@H](C)CCc1ccc(O)cc1 1749667238 VMAJXYWJHGNNFV-INIZCTEOSA-N 466.542 2.471 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1749669403 KEVKFTCAGOZQCD-KZNAEPCWSA-N 462.595 2.214 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)N2CCC(OC)CC2)C1 1749688999 CGWZRJQDZPBSQO-FQEVSTJZSA-N 460.623 2.185 30 10 JEEE CC(C)(C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC(C)(C)N1CCOCC1 1750448503 ANOAJEMMBWESKP-UHFFFAOYSA-N 452.607 2.280 30 10 JEEE C[C@]1(C(N)=O)CCN(c2nnc(COc3ccc(C#N)cc3)n2CCn2cc(Br)cn2)C1 1751281365 CKHNOBCDMPFLKF-NRFANRHFSA-N 499.373 2.090 30 10 JEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1760145522 QDFIFXMQBGDZQS-QZTJIDSGSA-N 482.651 2.385 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(C(=O)N(C)C)CCCC1 1760212920 IZFICSAAIMPJTQ-UHFFFAOYSA-N 481.622 2.460 30 10 JEEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc(OC)c(O)c1 1760231919 LRJHESKJZNDCIC-UHFFFAOYSA-N 454.556 2.460 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC(=O)NC2CCCCC2)CC1 1760255647 MVBIQCDBQSATGT-UHFFFAOYSA-N 465.558 2.448 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@H]2CCOC[C@H]2OC)CC1 1760271119 MRRDHAZAIXCGDP-ISKFKSNPSA-N 495.624 2.491 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1C[C@@H](C)CN1CCOCC1 1760298461 IYDXGAJHGNFLEV-FDDCHVKYSA-N 456.616 2.230 30 10 JEEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N(C)CCNS(=O)(=O)c1ccc(C)cc1 1760299722 FWHUZXYVPOGVGZ-UHFFFAOYSA-N 499.435 2.048 30 10 JEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(Cl)=C(Cl)C1 1760441013 WFSIEHYXQKEAEZ-OAHLLOKOSA-N 450.392 2.477 30 10 JEEE C=CCCOCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(CO)CC1 1760451627 OQTNHZGQHGGZHI-LJQANCHMSA-N 465.595 2.388 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)ccc2Br)nnc1N(C)C[C@@H]1CCOC1 1760517072 BIEZTZBRJNTIEQ-AWEZNQCLSA-N 464.364 2.491 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1760553280 QTHYTVSJUCWKJF-UHFFFAOYSA-N 495.671 2.105 30 10 JEEE CC[C@@H](C)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1CC1(C(N)=O)CCOCC1 1761875379 BGCHZUMECGOWMA-GOSISDBHSA-N 451.575 2.272 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@@H]1CCCS1 1762293198 DXXVFABNFWNDDO-AEFFLSMTSA-N 483.646 2.469 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@H]1CCCS1 1762293200 DXXVFABNFWNDDO-FUHWJXTLSA-N 483.646 2.469 30 10 JEEE CCN(CC)c1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@](C)(C#N)C2)cn1 1764929773 ACMPNIUFPUIFLP-VGOFRKELSA-N 474.635 2.308 30 10 JEEE CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1CCNc1nccc(C(F)(F)F)n1 1764992145 DBFJRFUZZZDJIR-INIZCTEOSA-N 485.474 2.452 30 10 JEEE CCOc1ncccc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1766097837 BLRVBKMAGZMINF-UHFFFAOYSA-N 488.596 2.305 30 10 JEEE CCOc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CCOC[C@H]2OC)cc1OC 1767548394 GSTPRRAXGFGZLH-WAOWUJCRSA-N 457.531 2.133 30 10 JEEE N#Cc1cccc([C@H]2CN(c3nnc(Cc4ccncc4)n3CC(=O)NCC(F)(F)F)CCO2)c1 1771531838 FQBXXSJEHQGNND-LJQANCHMSA-N 485.470 2.392 30 10 JEEE CO[C@H](O)C(=O)[C@@]12OC(C)(C)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]12C 1775963355 PWLCESSADNLVMG-CZCGWCDTSA-N 464.530 2.391 30 10 JEEE COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCN2CCOCC2)cc1O 1862609641 RJGPTMIKBNJUMS-QHCPKHFHSA-N 496.516 2.083 30 10 JEEE COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2CCNC(C)=O)cc1 1862696790 UIFUGPOKXBLAAN-FQEVSTJZSA-N 452.463 2.196 30 10 JEEE COc1ccc(N2C[C@@H](C(=O)Nc3c(C#N)nnn3Cc3ccc(OC)c(F)c3)CC2=O)cc1 1870110715 FRMGLVVSVBMBFB-HNNXBMFYSA-N 464.457 2.346 30 10 JEEE CCOCCCn1cc(OCC(=O)Nc2sc3c(c2C#N)CCC3)c(=O)cc1CN(C)CCO 1870324127 WCRTZESUEFNQNJ-UHFFFAOYSA-N 488.610 2.138 30 10 JEEE COc1cc(/C=N/n2c(CCc3ccc(OC)c(OC)c3)nnc2SCC(N)=O)ccc1O 1874219337 HIBLKRUXLSBEGM-WYMPLXKRSA-N 471.539 2.254 30 10 JEEE CC(=O)NCc1nnc(SCC(=O)Nc2ccccc2F)n1/N=C/c1ccc2c(c1)OCCO2 1874431439 RWRTXUPJIPZMAK-OPEKNORGSA-N 484.513 2.438 30 10 JEEE C=C(I)CN=[S@](=O)(N(C)C)N1CCN(C(=O)OC(C)(C)C)CC1 1992152627 HEIUZAJXAIGXFD-QHCPKHFHSA-N 458.366 2.347 30 10 JEEE Cc1csc([C@@H](C#N)C(=O)COC(=O)C=Cc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2Cl)n1 2042447107 JDWHLWQEWGIRMS-ZFWWWQNUSA-N 482.971 2.402 30 10 JEEE COC(C)(C)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2124532734 MACCNVMINALSOF-CQSZACIVSA-N 450.345 2.033 30 10 JEEE CC(C)(C)OC(=O)NCc1ccc(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)nc1 2180990941 HRXCQBHZLYPZOE-UHFFFAOYSA-N 455.324 2.448 30 10 JEEE C[C@H](CNC(=O)OC(C)(C)C)CNC(=O)c1nn(C)c(Cl)c1B1OC(C)(C)C(C)(C)O1 2255647694 CFWZSBWKSXBNCC-LBPRGKRZSA-N 456.780 2.263 30 10 JEEE Cn1nc(C(=O)N[C@H]2C[C@H]2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2255651468 WSDODUOGENXGPM-RYUDHWBXSA-N 454.764 2.016 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@](O)(CNC(=O)c2csc(B3OC(C)(C)C(C)(C)O3)c2)C1 2255712829 RXEOEEPCRGBGDZ-OAQYLSRUSA-N 452.382 2.149 30 10 JEEE CC(C)(C)OC(=O)N1CCN(c2nccc(B3OC(C)(C)C(C)(C)O3)c2F)C[C@@H]1CCO 2266058547 PBSOWWNRZBMKAN-HNNXBMFYSA-N 451.348 2.328 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](CNC(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C[C@H]1O 2267280174 MMOGGDNPUCIJIX-NUEKZKHPSA-N 466.409 2.441 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 2267595337 DTTHUSKIRGNDIR-HXUWFJFHSA-N 483.374 2.092 30 10 JEEE C[C@@H]1C[C@H](NC(=O)C(F)(F)F)CN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2267730305 XWLVUWWPDUPYQH-NEPJUHHUSA-N 482.355 2.125 30 10 JEEE CC(C)(C)OC(=O)N[C@]1(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)CCC[C@@H]2C[C@H]21 2268672577 UCLYISISSMGOAJ-SQHYZVFZSA-N 464.397 2.281 30 10 JEEE CC[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2281971447 JKBMPCJWGJYWNN-NVXWUHKLSA-N 462.400 2.485 30 10 JEEE CC(C)(C)OC(=O)N1CCN(CCCNC(=O)c2occc2B2OC(C)(C)C(C)(C)O2)CC1 2282527879 JVSHTEMWWBIKBY-UHFFFAOYSA-N 463.384 2.251 30 10 JEEE CCn1cc(C(=O)N(C)[C@@H]2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)nc1B1OC(C)(C)C(C)(C)O1 2282538039 ZSZMDRYJCDPWMM-SCAQPMJSSA-N 460.384 2.140 30 10 JEEE Cc1nsc(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 2282590968 JLSWRKBPVOKVRW-RRFJBIMHSA-N 481.424 2.145 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@](C)(CNS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282827976 GZTXTBLFBXKBSC-JOCHJYFZSA-N 481.424 2.306 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](NS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282831085 FBHXPKJDBJNFPF-IAGOWNOFSA-N 481.424 2.495 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N1CCc2c(cccc2B2OC(C)(C)C(C)(C)O2)C1 2284065608 JMCKPGIROOCUKW-LJQANCHMSA-N 460.380 2.146 30 10 JEEE CC1(C)OB(c2cc(C(=O)N3CCC(NC(=O)C(F)(F)F)CC3)n(C3CC3)c2)OC1(C)C 2286120270 KGLVRCCRONSHDT-UHFFFAOYSA-N 455.286 2.405 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2C[C@@]2(CNC(=O)OC(C)(C)C)C1 2288262158 YFNGWFBQPYXELV-IQMFZBJNSA-N 460.384 2.189 30 10 JEEE CC(C)(C)OC(=O)N1CC(c2nc(=NC(=O)c3csnc3B3OC(C)(C)C(C)(C)O3)s[nH]2)C1 2296456379 GRHAOVRXSDFTFR-UHFFFAOYSA-N 493.420 2.302 30 10 JEEE CC#CCN(CC(=O)NCC1(CO)CCN(C(=O)OC(C)(C)C)CC1)C(=O)OC(C)(C)C 2316018253 YVXKSVSTZCMDGJ-UHFFFAOYSA-N 453.580 2.373 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CS(C)(=O)=O)C(=O)N1CC[C@H]2C[C@@]2(B2OC(C)(C)C(C)(C)O2)C1 2335392052 FPGGEHZMKCDZAP-VFCRVFHLSA-N 472.413 2.009 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC[C@@H](CCNC(=O)OC(C)(C)C)C1 2362357626 PCGHLWMWQFHDQE-INIZCTEOSA-N 462.400 2.486 30 10 JEEE Cc1cc(CNC(=O)[C@H]2C[C@H](O)CN2C(=O)OC(C)(C)C)cc(B2OC(C)(C)C(C)(C)O2)c1 2369677195 JAEWYMFGYWZWCC-RBUKOAKNSA-N 460.380 2.281 30 10 JEEE C/C(Cl)=C/Cn1c(N/N=C\c2cc(Br)ccc2O)nc2c1c(=O)[nH]c(=O)n2C 8816599 DQGIEKFHBZJWHD-KAFYKTDYSA-N 467.711 2.480 30 10 JEEE COC(=O)c1ccc(/C=N/Nc2nnc(SCC(=O)Nc3ccc(N(C)C)cc3)n2N)cc1 20913767 GGDYXKCWWUJWBV-FSJBWODESA-N 468.543 2.021 30 10 JEEE CCn1cc(/C=N/Nc2nc(SCC(=O)N3CCc4cc(OC)c(OC)cc4C3)n[nH]2)cn1 59312001 IFJDORPLHJLSRA-LSFURLLWSA-N 470.559 2.161 30 10 JEEE C[C@@H]1Oc2cc(S(=O)(=O)N3CCN(C(=O)c4ccc(C#N)cc4)CC3)c(Cl)cc2NC1=O 64889790 CDWCVZBWXWTPTI-ZDUSSCGKSA-N 474.926 2.078 30 10 JEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCc2ccc(N3CCN(CC)CC3)nc2)cc1 500696060 JXCSAYDKCKTXFC-UHFFFAOYSA-N 472.615 2.352 30 10 JEEE C=CCn1c(CCN2CCCCC2)nn(CN2CCC[C@H](C(=O)N3CCOCC3)C2)c1=S 874073693 AABLBJNGBIENGG-FQEVSTJZSA-N 462.664 2.157 30 10 JEEE C[C@@H](C[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)C(C)(C)O 1077999130 IJRBORPEVKCEQD-POHZSETPSA-N 494.669 2.100 30 10 JEEE COc1cccc(C=NNc2nnc(SCC(=O)Nc3ccc(OC)c(OC)c3)n2N)c1 1084126542 KOTSOPQSUSKHPI-UHFFFAOYSA-N 457.516 2.195 30 10 JEEE COc1ccc(NC(=O)CSc2n[nH]c(NN=Cc3c(C)nn(CCO)c3C)n2)c(C)c1 1084432709 UNPXHDKHCMKWMS-UHFFFAOYSA-N 458.548 2.104 30 10 JEEE CC[C@@H](C#N)Oc1cccc(CNC(=O)CNS(=O)(=O)c2ccc3c(c2)OCCCO3)c1 1146948537 AQEGPMSNAQQQDL-KRWDZBQOSA-N 459.524 2.124 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)N2C[C@H]3[C@@H](C2)OCCN3Cc2ccccc2)ccc1F 1147233379 DBGOUXZHHLYJTQ-LEWJYISDSA-N 459.543 2.015 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1CCN(Cc2ccccc2)CC1 1286277046 AINGMSKLVFBQGB-RBUKOAKNSA-N 458.632 2.258 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(C(N)=O)CCCC1 1286296862 RWRGHJJRYAIPCU-SJORKVTESA-N 460.579 2.090 30 10 JEEE C#CCN(C)c1nnc(-c2ccc(OCCC)c(OC)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1286366669 AZYFLUYIRNZPJJ-GOSISDBHSA-N 461.588 2.236 30 10 JEEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN(C(=O)OC(C)(C)C)C1CC1 1286368266 RADGSSPHERULRY-UHFFFAOYSA-N 463.546 2.390 30 10 JEEE C#CCN(c1nnc(C(C)C)n1C[C@H](c1ccc(C)o1)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1286386298 YFNCVHAFXNJIML-VQTJNVASSA-N 475.615 2.003 30 10 JEEE C#CCN(c1nnc(C2CC2)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C)[C@H]1CCS(=O)(=O)C1 1286388852 BZFNCRVXKLNHKI-ZWKOTPCHSA-N 465.620 2.332 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 1286478396 AFIPRLZXIUFCRM-UXHICEINSA-N 458.607 2.327 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[S@@](=O)CC 1286744731 LKQPMJKDPQWHLJ-ADKRDUOOSA-N 454.593 2.281 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC(C)(C)C)nc1 1286773925 VVFSSRBMNLWHEE-GOSISDBHSA-N 463.604 2.440 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1286783527 UIELLDJBONNOLB-QGZVFWFLSA-N 473.940 2.450 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN(C(=O)c2ccccc2)CC1 1286790586 UUQMZDYVZZXYJX-UHFFFAOYSA-N 450.568 2.195 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)c1ccc(F)c(F)c1 1286820516 MQZADRMYZSYYOG-GOEBONIOSA-N 488.582 2.257 30 10 JEEE C=CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(C(=O)NCC)CC1 1286828005 FQPFQTYJKAMMAV-UHFFFAOYSA-N 492.675 2.009 30 10 JEEE C#CCN1CCC(C(=O)NCc2cccc(-n3cc(CNC(=O)OC(C)(C)C)nn3)c2)CC1 1287362620 ZJOSDRBASIQGAY-UHFFFAOYSA-N 452.559 2.253 30 10 JEEE CCN(CC)C(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](C(=O)NC)C1 1295311820 BMTMBQDSODATGS-FQEVSTJZSA-N 451.575 2.428 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CC[S@](=O)C(C)(C)C)c1 1300331907 ULFNOSLNTOBGNT-UMSFTDKQSA-N 484.626 2.118 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1C[C@@H]1CCN(CC(F)(F)F)C1)[C@H]1CCS(=O)(=O)C1 1300483160 IHXCARMBBRXIPL-ZACQAIPSSA-N 461.554 2.303 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@@]1(N(C)C)CCSC1)[C@H]1CCS(=O)(=O)C1 1300487167 HDRRLLRYFQBTKH-MBSDFSHPSA-N 489.667 2.018 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H](F)COC)[C@@H]1CCS(=O)(=O)C1 1300489259 KNLQZUNABBGAQR-JKSUJKDBSA-N 470.954 2.218 30 10 JEEE C#CCN(c1nnc(-c2ccccc2)n1CCCNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1300490004 XEKCZWNSCHOEFT-IBGZPJMESA-N 473.599 2.487 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@@H](C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 1300502447 URYCLPWEHUMYIW-ICSRJNTNSA-N 461.657 2.289 30 10 JEEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1CCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1300505026 XMHMXZDIICEDNI-OAQYLSRUSA-N 482.610 2.306 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(c2ccc(OC)cc2)CCC1 1300509448 LSKALFOUFCFYEG-GOSISDBHSA-N 455.584 2.092 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccncc2)n1CCN1CCCS1(=O)=O 1300648986 IPAGWMLZOXIWEM-UHFFFAOYSA-N 468.558 2.078 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1ccc(C(N)=O)nc1 1300778707 FQQUIIWOLBOSBI-XMMPIXPASA-N 477.956 2.396 30 10 JEEE C=C(C)Cn1c([C@H]2CCCOC2)nnc1N1CCN(S(=O)(=O)N(CCC)CCC)CC1 1300950761 OKLRKVUZBCHQSR-IBGZPJMESA-N 454.641 2.237 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1301515706 YKAMQWCMGZTEKT-UHFFFAOYSA-N 474.537 2.213 30 10 JEEE N#CCC1CCN(c2nnc(CNC(=O)c3cccs3)n2CCNC(=O)c2ccco2)CC1 1303013274 AQKNHKCOUPKDJJ-UHFFFAOYSA-N 467.555 2.423 30 10 JEEE C[C@@]1(C#N)CCCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](N2CCOCC2)C(F)(F)F)C1 1303934151 CFHDJIIZRJKERY-KKSFZXQISA-N 492.506 2.319 30 10 JEEE CCC[C@@H](Cn1c(Cc2cccnc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C)OC 1306588837 BFDRXKPHSQDOFJ-QUCCMNQESA-N 461.574 2.456 30 10 JEEE CCN1CCN([C@H](C)Cn2c(CNC(=O)c3cccs3)nnc2N2CCC[C@@](C)(C#N)C2)CC1 1313926223 BSNPMDKOEOCYNR-DVECYGJZSA-N 484.674 2.426 30 10 JEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1358922736 PBHMUHHYMCGGAB-OAQYLSRUSA-N 482.610 2.481 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@@H]1CCOC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1358959567 LNRPTCGSJFGQKP-QYZOEREBSA-N 458.584 2.253 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1CC1(N(C)C)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1358961073 RDAYENOQBGIXSD-HXUWFJFHSA-N 456.616 2.231 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc(NC(N)=O)cc1 1358991574 HAUMJOWUOBUPPC-UHFFFAOYSA-N 490.593 2.240 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@]1(N(C)C)CCSC1 1359017312 ZSYAQVQROBEFCR-WMZHIEFXSA-N 491.658 2.396 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(Br)cc3)n2CCc2ccn(C)n2)CC1 1359039057 VTXMLUMIIISXMI-UHFFFAOYSA-N 484.402 2.351 30 10 JEEE C=C(Br)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1359079014 VYMUPJFHDMMAEZ-AWEZNQCLSA-N 456.322 2.385 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1-n1ccnc1 1359114070 XBNDHWUGGNQPAL-OAQYLSRUSA-N 485.614 2.247 30 10 JEEE C=C(Cl)Cn1c(N2CCC(N(CC)S(C)(=O)=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1359157106 YVCAELCDGVPCNK-FQEVSTJZSA-N 476.043 2.322 30 10 JEEE C=CC1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H](C)N2CCOCC2)CC1 1359175541 PZHYJBQQAPUURX-SFHVURJKSA-N 459.616 2.472 30 10 JEEE C=CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC1(C(N)=O)CCOCC1 1359237567 DTOSIUNTNSHDBE-UHFFFAOYSA-N 465.558 2.140 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCOC2)n1CCS(=O)(=O)N1CCSCC1 1359264079 UDIZUALITWPSBV-KRWDZBQOSA-N 483.685 2.415 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCN(c2ncccc2F)CC1 1359333681 GOEZEWSWWALVFS-UHFFFAOYSA-N 488.564 2.470 30 10 JEEE Cn1nc(C2CCOCC2)cc1NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1462006225 HQHWZXCARCWMSU-UHFFFAOYSA-N 457.556 2.225 30 10 JEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)OCC)([S@@](C)=O)CC1 1468159575 VYLJILAZDBOGRF-IZPCHGGPSA-N 450.985 2.325 30 10 JEEE C#CCCCn1c(COc2ccc(OC)cc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1507595000 LMJXUTUORNPTAP-UHFFFAOYSA-N 466.586 2.024 30 10 JEEE C#CCN(c1nnc(CSc2ccc(C)cc2)n1CC1(O)CCC1)[C@H]1CCS(=O)(=O)C1 1507637054 GPOGESCPBQQQEY-SFHVURJKSA-N 460.625 2.421 30 10 JEEE C#CCN(CC)c1nnc(-c2ccc(Br)cc2)n1CCN1CCCS1(=O)=O 1507682507 PSXKYEXAYDQZIW-UHFFFAOYSA-N 452.378 2.203 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1occc1C 1507701425 GOBKSMBYBMLWEA-OAQYLSRUSA-N 487.557 2.340 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2CCCNC(=O)C2CCC2)CC1 1507732755 SHWUSPCVYXRDSP-UHFFFAOYSA-N 454.550 2.058 30 10 JEEE C#CCSCCn1c(Cn2ccc3ccccc32)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1507753865 SBFVKFOBVXIPTA-IBGZPJMESA-N 472.640 2.166 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1507804537 GRABGXMSFGZDOL-UYAOXDASSA-N 465.645 2.383 30 10 JEEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 1507853063 GMIJLDXDKKXGQP-CABCVRRESA-N 477.031 2.382 30 10 JEEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1507956668 DHPZEKCROGNTGK-UHFFFAOYSA-N 470.574 2.279 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 1508078878 LHMDNHFQZYSOCE-SFHVURJKSA-N 496.612 2.396 30 10 JEEE C=CCNC(=O)Cn1c(N2CC[C@@H](C)[C@@H](OC)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1508097692 JXUZVKFOQMVCPU-BDXSIMOUSA-N 462.595 2.212 30 10 JEEE CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCC(F)(F)F)CCO1 1517543487 GEAPGHZRBAIBIL-INIZCTEOSA-N 452.437 2.022 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCc2ccccc21 1539013897 KNCYGJGVFNBNAH-FBBABVLZSA-N 457.600 2.189 30 10 JEEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1Cc1cc(C)on1)[C@@H]1CCS(=O)(=O)C1 1539230154 KUZDESBGROUMGQ-HXUWFJFHSA-N 469.567 2.445 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ncccc1C 1539384548 KCYNRZNIVYUARG-KRWDZBQOSA-N 456.547 2.419 30 10 JEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C)ccc1OC(F)F 1540072107 JIWCGYVCRXDYMV-QGZVFWFLSA-N 471.530 2.191 30 10 JEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1540858384 URLMPPRGOYMEKL-MSOLQXFVSA-N 462.595 2.466 30 10 JEEE C=CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1540912365 WHHYRYHAENCCDM-UHFFFAOYSA-N 465.627 2.480 30 10 JEEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@](C)(O)c2cccs2)C1 1547780029 HQNVIQLGESHVNI-XMSQKQJNSA-N 486.623 2.304 30 10 JEEE COCCC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(NS(C)(=O)=O)CC1 1555410480 ANQLCEDMQCDGAF-UHFFFAOYSA-N 460.604 2.397 30 10 JEEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1588089381 KHFJLFGMMSQEEZ-OTPAQWSUSA-N 457.619 2.279 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(C)(C)c1ccccn1 1588613379 YVUXYOGZLZZYPY-UHFFFAOYSA-N 457.542 2.380 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)CC1 1588812480 RTVQUHCJMBWDMG-AQNXPRMDSA-N 458.607 2.183 30 10 JEEE C#CCN1CCN(c2nnc(CSc3ccccc3OC)n2CCCN2CCOC2=O)CC1 1588876437 ACHAWWIDBLEAID-UHFFFAOYSA-N 470.599 2.177 30 10 JEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 1593691464 WJLPGJYMBCVQNA-GOSISDBHSA-N 462.595 2.458 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)Oc2ccccc2OC)CC1 1594097188 NEASDIFVIDXMJC-RXVVDRJESA-N 491.614 2.244 30 10 JEEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCCN1CCC[C@@H]1CO 1594962947 OERMTPCHASUWEU-UXHICEINSA-N 478.638 2.446 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@@]2(O)CCN(C)C2)C1 1595720826 BYBHEUCWXLQCHU-CJFMBICVSA-N 490.649 2.241 30 10 JEEE CNC(=O)C(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)C1CCC(NC(C)=O)CC1 1618526251 DPNMRNUMDSHWQQ-UHFFFAOYSA-N 481.601 2.384 30 10 JEEE COc1cc(OC)cc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H]2CCCN2CCCO)c1 1619130457 CFMARNGUSMBADZ-JPYJTQIMSA-N 458.538 2.251 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2cnccn2)n1C[C@@H]1CCCCS1(=O)=O 1619899563 BDZHAEVPAQMIBU-FQEVSTJZSA-N 481.582 2.227 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCOC[C@H]2C[C@H](O)c2cccs2)s1 1622827616 NILSANLMEIQFKV-ZBFHGGJFSA-N 456.611 2.168 30 10 JEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(Cc3ccccc3OCC)C[C@H]2C)c1 1634900689 GQUFFQYFUZGZFM-LJQANCHMSA-N 455.580 2.343 30 10 JEEE COCCN(CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)Cc1ccc2c(c1)OCO2 1641785804 GAOHSLVHTAPAJR-LJQANCHMSA-N 456.568 2.334 30 10 JEEE C#CCN1CCC(NC(=O)c2ccccc2NS(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1645780977 BPPYETPYLGZZMG-UHFFFAOYSA-N 455.536 2.086 30 10 JEEE CS(=O)(=O)c1ccc(CNS(=O)(=O)c2cc(Br)c(C#N)cc2F)s1 1668590503 DUQZOXRMUUEHFY-UHFFFAOYSA-N 453.336 2.403 30 10 JEEE N#Cc1ccc(CN2CC[C@@H](NC(=O)NC[C@@H](O)c3ccccc3Br)C2=O)cc1 1682226380 IFRULSVNERSRMG-RTBURBONSA-N 457.328 2.454 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1Cc1csc(COC)n1)[C@@H]1CCS(=O)(=O)C1 1689984998 ZWKQRPBBZPBVPW-GOSISDBHSA-N 487.607 2.232 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccn2C)n1Cc1ccnc(OC2CCOCC2)c1 1690099903 PUDBJHLACVYDJW-UHFFFAOYSA-N 450.543 2.371 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1CCN(C)CC(F)(F)F 1690103826 HLSXAUJLYIGEAA-GOSISDBHSA-N 453.465 2.371 30 10 JEEE C#CCSCCn1c(Cc2ccccc2C)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1690177580 ZSXJBXOQNASLAR-UHFFFAOYSA-N 466.655 2.288 30 10 JEEE C=C(Br)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC(=O)N(C)C[C@H]1C 1690229069 MVSREWXRUIEYDH-CABCVRRESA-N 499.410 2.162 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C(=O)N(C)c2ccccc2)C1 1690312958 HOJJXVFKGHIMSC-VQTJNVASSA-N 487.626 2.262 30 10 JEEE C=C(Cl)Cn1c([C@H](C)OCCOC)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1690330245 DUDKJBMDRSDMJI-INIZCTEOSA-N 451.959 2.188 30 10 JEEE C=C(Cl)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1690332516 CIJJJKUTWWMRDU-UHFFFAOYSA-N 492.005 2.259 30 10 JEEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1cnn(C)c1 1690465214 VMDCVLFBADQTIO-RTBURBONSA-N 463.608 2.042 30 10 JEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccsc1Br 1690526642 ASHWMPNTEDWAMW-CYBMUJFWSA-N 476.422 2.106 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc(C(=O)Nc2ccccn2)n1CC1(O)CCS(=O)(=O)CC1 1690561161 FZQWDPVEBSVKKB-UHFFFAOYSA-N 496.593 2.058 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H]1c1cccc(OC)c1 1690723006 DZMMWXZUEQHWID-OALUTQOASA-N 459.572 2.180 30 10 JEEE C=CCSCCn1c(N2CCN(c3ncc(F)cn3)CC2)nnc1[C@@]1(OCC)CCOC1 1690752923 VDIGXARCSAFADZ-OAQYLSRUSA-N 463.583 2.105 30 10 JEEE CS[C@H](C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1698344435 FLPIPBOKIJAKEX-GOSISDBHSA-N 451.604 2.485 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1Cc1cccc(CN(CC)CC)c1)[C@H]1CCS(=O)(=O)C1 1705564513 BIPXCOSDQZNKPS-QFIPXVFZSA-N 493.637 2.252 30 10 JEEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1CCN(C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1705568058 GKVHDCMVIBHDHW-OAQYLSRUSA-N 473.643 2.441 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1CCc2ccccc2C1 1705598107 BEKOVFZAHFHDAF-QHCPKHFHSA-N 479.650 2.480 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H](c2ccc(F)cc2)N(C)C)CC1 1705634967 NUVDAMTVBOPLMZ-DHLKQENFSA-N 470.593 2.127 30 10 JEEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)Nc2ccccc2CC)CC1 1705658680 XJWJLEPLHKHSRU-UHFFFAOYSA-N 492.653 2.368 30 10 JEEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN([C@@H](C)c2nc(CC)no2)CC1 1705659649 BVMPKEGFEPCNSG-ZWKOTPCHSA-N 459.620 2.367 30 10 JEEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1705663782 DITJIZMTLGEWIC-MRXNPFEDSA-N 472.640 2.131 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](C)CN1CCN(CC)CC1 1705667436 URHVNRXVWCUSHQ-NBGIEHNGSA-N 464.618 2.191 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2cccnn2)CC1 1705693954 MLKHPKYSWCAGIO-NQIIRXRSSA-N 468.606 2.294 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 1705902288 AXOPKMZRFHPKOP-UYAOXDASSA-N 458.607 2.297 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(CCN2[C@H](C)CC[C@H]2C)CC1 1705935291 MSCQRUSSBFWRKE-NHCUHLMSSA-N 480.723 2.462 30 10 JEEE CC(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCN(C(C)C)CC2)CC1 1706032906 GGEGFSSVAGSYPI-UHFFFAOYSA-N 495.628 2.069 30 10 JEEE CC(C)OCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1706704453 FQGJCCZJDKCUMO-UHFFFAOYSA-N 452.559 2.317 30 10 JEEE CCNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1710308388 DRMYJPROARHQSL-NRFANRHFSA-N 465.602 2.280 30 10 JEEE CN(CCNS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CC(C)(C)c1ccccn1 1711221437 BDCGNUWHNSUCJJ-UHFFFAOYSA-N 453.572 2.175 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1C[C@H]1CCCCS1(=O)=O 1722277894 JTEJOXZNVQXCFS-DZGCQCFKSA-N 454.394 2.471 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1nnc(C(C)(C)C)s1)[C@@H]1CCS(=O)(=O)C1 1722359561 TYTNPRZHTMJGJK-CQSZACIVSA-N 450.634 2.400 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1Cc1cnccc1OC)[C@H]1CCS(=O)(=O)C1 1722361697 IZTKKUNNNHFYNS-SFHVURJKSA-N 467.551 2.032 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCCCN(Cc3ccccc3)C2)CC1 1722429229 IVHFPRVQUMNMTM-XMMPIXPASA-N 477.657 2.474 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCOCCCO 1722471450 HVUFKPYDXYBKBO-RUZDIDTESA-N 464.570 2.456 30 10 JEEE C=C(Br)Cn1c(-c2cccc(OC)c2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1722479373 FJFZYTBWERTZIA-MRXNPFEDSA-N 470.393 2.380 30 10 JEEE C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CCC 1722484329 HLDGFPCBBQURDD-UONOGXRCSA-N 450.403 2.144 30 10 JEEE C=C(Cl)Cn1c(Cc2csc(C)n2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1722578958 DXBXEJDVSNXNPK-LIRRHRJNSA-N 464.039 2.375 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2nc(C)c(C)s2)CC1 1722581091 HGLGBVISJUZHPM-KRWDZBQOSA-N 466.633 2.135 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1oc2ccccc2c1C 1722681061 FZUWIFHCNSXFPA-NRFANRHFSA-N 489.598 2.353 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2nnc(C)s2)C1 1722715354 OQHPUNSAMJZDPQ-MRXNPFEDSA-N 460.585 2.338 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1722729021 VZVDZRYLTGTQCZ-GOSISDBHSA-N 466.652 2.050 30 10 JEEE CC(C)(C)OC(=O)NCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@](F)(C#N)C1 1722998756 BXILJZIDWKSJOB-NRFANRHFSA-N 478.550 2.315 30 10 JEEE Cc1cccc(OCc2nnc(N3CCN(c4ccc(C#N)cn4)CC3)n2CC(=O)NC(C)C)c1 1724553215 FXEQHCGLZAWBDD-UHFFFAOYSA-N 474.569 2.283 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(c2ccc(O)cc2)CC1 1740592487 YNYKYIXWRXHYTR-OAQYLSRUSA-N 473.599 2.114 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1CCc1ccc(N(C)C)cc1)[C@H]1CCS(=O)(=O)C1 1740622112 UNWHIUCSQIVJQQ-QFIPXVFZSA-N 464.595 2.276 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@]1(C)CCCO1)[C@H]1CCS(=O)(=O)C1 1740628956 XECXSJDUICSITQ-LVBDUCALSA-N 464.632 2.393 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1Cc1cc(OC)c(OCC)c(OC)c1 1740644827 WGJNJSJIARTFJS-UHFFFAOYSA-N 465.554 2.441 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CCCN(C(C)=O)C1 1740676623 ITCKIEOGQPESRO-TZIWHRDSSA-N 452.534 2.267 30 10 JEEE C=C(Br)Cn1c(-c2ccccc2C)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1740741346 JAAAOLPILQSDHF-UHFFFAOYSA-N 473.375 2.089 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc(Cc2ccccn2)n1C[C@@]1(O)CCS(=O)(=O)C1 1740918692 SGZNRZLLWPJACW-QHCPKHFHSA-N 453.568 2.006 30 10 JEEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)NCc2ccc(C)cc2)CC1 1740947202 RZWCRYZVMKDAKV-FQEVSTJZSA-N 457.600 2.207 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCc2cccc(F)c2[C@H]1C 1740985342 FUFNXFLHPGINIJ-MRXNPFEDSA-N 461.563 2.378 30 10 JEEE CCCNC(=O)CCn1c(Cc2ccccc2F)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1745785227 GZTWCDWSIWPAPL-SFHVURJKSA-N 491.575 2.301 30 10 JEEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1748698125 RNMSLLCPZIYBGJ-UHFFFAOYSA-N 455.526 2.322 30 10 JEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC[C@@H](C(F)F)N1CCOCC1 1748789445 JWPRUIDYWRNEFK-ZWKOTPCHSA-N 498.575 2.012 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H]1NC(=O)CC1(C)C)[C@H]1CCS(=O)(=O)C1 1748808870 HHEHNYANKGQXMH-YJBOKZPZSA-N 493.992 2.279 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCN(CC)CCC)[C@H]1CCS(=O)(=O)C1 1748809914 QUNMCZYAUYUNOW-SFHVURJKSA-N 465.023 2.352 30 10 JEEE C#CCN(c1nnc(-c2cn(C)c3ccccc23)n1CCOCC(F)F)[C@H]1CCS(=O)(=O)C1 1748812092 PSNSCQQDHKFUFN-INIZCTEOSA-N 477.537 2.345 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@H](CCC)OC)[C@@H]1CCS(=O)(=O)C1 1748819688 RPCNYHBFYJSWRT-MSOLQXFVSA-N 451.618 2.076 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@@](C)(O)c1cccs1)[C@@H]1CCS(=O)(=O)C1 1748820046 YDCJBYHGSZDIQR-DYESRHJHSA-N 491.664 2.230 30 10 JEEE C#CCN(c1nnc(Cn2ccc3ccccc32)n1CCCNC(=O)C(C)C)[C@H]1CCS(=O)(=O)C1 1748820614 FRZKZAHMJCOMAH-NRFANRHFSA-N 496.637 2.070 30 10 JEEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1749024312 MKRISROWCFWOHJ-QGZVFWFLSA-N 455.544 2.260 30 10 JEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCSC2(CCOCC2)C1 1749401688 CFLPAWLBEREVIE-SFHVURJKSA-N 485.676 2.070 30 10 JEEE C=CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1749604199 CEQVOZHPPJIMMB-LJQANCHMSA-N 453.591 2.370 30 10 JEEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(C(N)=O)CCOCC2)CCN1CC(F)(F)F 1752318034 DTAZIDMYFUARHJ-INIZCTEOSA-N 491.518 2.172 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCO[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1760181047 OWYWWAZTPXVFTO-ZMSDIMECSA-N 496.431 2.478 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1CC(O)(CC)CC)[C@H]1CCS(=O)(=O)C1 1760181506 WIOYMWIWIFJFJP-INIZCTEOSA-N 498.447 2.224 30 10 JEEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1c(C)noc1C 1760207095 XMWCRQKKPYYUAH-UHFFFAOYSA-N 457.582 2.369 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2cc(OC)c(OCC)c(OC)c2)CC1 1760259528 MYYQSYIGGHDFPM-HXUWFJFHSA-N 469.586 2.392 30 10 JEEE C#CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1760280513 RBIJWPKOUURGLE-MRXNPFEDSA-N 486.623 2.364 30 10 JEEE C=CC1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCS(=O)(=O)CC)CC1 1760400883 RIUVKLVEKBNWRC-UHFFFAOYSA-N 456.572 2.029 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@]2(O)CCOC2)CC1 1760402594 OARXMYWTTWPCRH-FDDCHVKYSA-N 463.579 2.140 30 10 JEEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1760431453 RAHMPUFEWLDKQK-UHFFFAOYSA-N 477.573 2.272 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@](C)(O)c1ccsc1 1761466134 HSGTVMAKPLGDSD-VFNWGFHPSA-N 474.612 2.366 30 10 JEEE C[C@H]1OCC[C@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1763266390 FIPUDWQLLVTJHJ-MTJJIEKYSA-N 468.558 2.460 30 10 JEEE COCC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ncccc2F)CC1 1770976609 DQPPXBVZYGCSFC-DEOSSOPVSA-N 465.533 2.465 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCC(NC(=O)C(C)C)CC1 1772660233 UTHTYRKRNZFYCS-UHFFFAOYSA-N 475.615 2.296 30 10 JEEE O=C(/C=C/c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 1860727307 IEVJIZMCOZUKEG-BJMVGYQFSA-N 453.436 2.407 30 10 JEEE COc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCN2CCOCC2)cc1O 1862677467 FSELTKFIRGQOCV-OAQYLSRUSA-N 456.470 2.450 30 10 JEEE COc1cc(C(=O)NCC(=O)Nc2c(C#N)nnn2Cc2c(C)cccc2C)cc(OC)c1OC 1870107061 QMOJZGHWABPEMJ-UHFFFAOYSA-N 478.509 2.209 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)Nc2nnc(C)s2)cn1C[C@@H]1CCCO1 1870570963 OOMIPMLFSFNMAL-SFHVURJKSA-N 459.572 2.379 30 10 JEEE CC(C)N1C[C@@H](c2nnc(SCC(=O)Nc3nccs3)n2/N=C/c2ccccn2)CC1=O 1874338065 MLFHFVMXSBZBJY-WUJFOHIQSA-N 470.584 2.467 30 10 JEEE CC(=O)NCc1nnc(SCC(=O)Nc2nccs2)n1/N=C/c1cn(C)c2ccccc12 1874433309 JTHXEIBJHDEGAF-NUGSKGIGSA-N 468.568 2.475 30 10 JEEE COCc1nnc(SCC(=O)NCc2ccco2)n1/N=C/c1cc(OC)c(O)c(OC)c1 1874501196 VNTLYCRAVPGXHM-LSFURLLWSA-N 461.500 2.031 30 10 JEEE CC(C)(C)OC(=O)N1CCS[C@@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2060641119 DGOSOKNAPRYFOW-CQSZACIVSA-N 450.370 2.067 30 10 JEEE C#C[C@]1(C)COCCN1C(=O)c1cc(I)cc(I)c1O 2237124581 YHYYAFOFWVOHQP-CQSZACIVSA-N 497.070 2.466 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCN(C(=O)OCc2ccccc2)C1 2255614309 ITSJVKSPFLTPGW-SFHVURJKSA-N 468.363 2.343 30 10 JEEE COCC1(NC(=O)c2csc(B3OC(C)(C)C(C)(C)O3)c2)CN(C(=O)OC(C)(C)C)C1 2255703006 NURQXMDNCSBDRZ-UHFFFAOYSA-N 452.382 2.413 30 10 JEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@]1(C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2256626489 KOQYQYZCJABFMX-YUNKPMOVSA-N 452.386 2.091 30 10 JEEE CN(Cc1sccc1B1OC(C)(C)C(C)(C)O1)C(=O)[C@H](O)CCNC(=O)OC(C)(C)C 2256671851 YUDBBJMHDSRZQN-OAHLLOKOSA-N 454.398 2.281 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H](NC(=O)OC(C)(C)C)C(C)C)n1 2267147274 QFVGZNQXZLXDPW-INIZCTEOSA-N 450.389 2.481 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@](O)(CCNC(=O)c2occc2B2OC(C)(C)C(C)(C)O2)C1 2267197470 YUVUDOOWHDPYGF-QFIPXVFZSA-N 450.341 2.071 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2ccsc2B2OC(C)(C)C(C)(C)O2)[C@H]2COC[C@@H]12 2267457314 OHTMHNKVZPCIMK-XHSDSOJGSA-N 464.393 2.411 30 10 JEEE CN(C[C@H](O)COCc1ccccc1)C(=O)c1nn(C)c(Cl)c1B1OC(C)(C)C(C)(C)O1 2267501484 YMTPDRIFIRCAPS-INIZCTEOSA-N 463.771 2.022 30 10 JEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CCOC[C@H](NC(=O)OC(C)(C)C)C1 2267506559 ZMLUKQFWVJPKAY-OAHLLOKOSA-N 450.341 2.253 30 10 JEEE Cn1cc(C(=O)N2CCC(CNC(=O)OCc3ccccc3)CC2)c(B2OC(C)(C)C(C)(C)O2)n1 2267522060 VUCUDAQJJZXALV-UHFFFAOYSA-N 482.390 2.498 30 10 JEEE Cc1cc(C(=O)N[C@H]2COC[C@H]2CNC(=O)OC(C)(C)C)oc1B1OC(C)(C)C(C)(C)O1 2267527894 NXSKLLPQOBAVSG-CABCVRRESA-N 450.341 2.157 30 10 JEEE CC1(C)OB(c2cccnc2C(=O)N[C@@H]2CCOC[C@H]2NC(=O)OCc2ccccc2)OC1(C)C 2267586407 JQVJJCKADPIIMB-WOJBJXKFSA-N 481.358 2.195 30 10 JEEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@@H]3CCCCN3C(=O)C(F)(F)F)s2)OC1(C)C 2267711322 JSTILQFMUHBNEI-LBPRGKRZSA-N 482.355 2.269 30 10 JEEE CC1(C)OB(c2cscc2S(=O)(=O)N2CCC(CNC(=O)C(F)(F)F)CC2)OC1(C)C 2267728310 SPHLRGLZRSDHSE-UHFFFAOYSA-N 482.355 2.127 30 10 JEEE CC(C)(C)OC(=O)NC[C@](C)(CC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)C(F)F 2268652888 JGKHWSLVYOUQNT-IBGZPJMESA-N 476.355 2.384 30 10 JEEE C[C@H](CCNC(=O)OC(C)(C)C)CCNC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2268709312 KHDSWHXBCIJUNI-HNNXBMFYSA-N 450.389 2.390 30 10 JEEE Cn1cc(C(=O)NC2[C@H]3CC[C@H]2CN(Cc2ccccc2)C3)c(B2OC(C)(C)C(C)(C)O2)n1 2281964818 CYQONTSGEBUJLX-OALUTQOASA-N 450.392 2.360 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N=[S@]1(=O)CC[C@@H](NC(=O)OC(C)(C)C)C1 2281971375 HPTPZVGTLBJCLU-GSLRCMBYSA-N 482.412 2.107 30 10 JEEE CC(C)(C)OC(=O)N1[C@H](CNC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C[C@@H]2OCC[C@H]21 2282010198 WOXFUPUQXFNAIN-IMJJTQAJSA-N 479.408 2.339 30 10 JEEE Cc1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H](O)C2)ccc1B1OC(C)(C)C(C)(C)O1 2282120225 DACOEBSKQSTMQV-SFHVURJKSA-N 460.380 2.348 30 10 JEEE CCc1nc(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 2282141716 JYMVRIZVAQWFFO-KGLIPLIRSA-N 481.424 2.105 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)n1 2282552692 MDVMDYMOYLJHEH-QKNQBKEWSA-N 450.392 2.360 30 10 JEEE CCc1nn(C)c(C(=O)N[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2282560125 MCJDOHXHTRWIBE-CABCVRRESA-N 462.400 2.457 30 10 JEEE Cn1cc(C(=O)N2C[C@H](NC(=O)OC(C)(C)C)C3(CCC3)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2282578334 QIHZIWFKHXQXCI-INIZCTEOSA-N 460.384 2.239 30 10 JEEE Cc1nsc(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 2282598478 LQMAILQOCWJGNN-XQQFMLRXSA-N 473.326 2.422 30 10 JEEE Cn1nc(C(=O)NC[C@@H]2C[C@H](NC(=O)OC(C)(C)C)C2(C)C)cc1B1OC(C)(C)C(C)(C)O1 2282615534 ZPWVFQPEFYPXOD-HOCLYGCPSA-N 462.400 2.389 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)[C@H]2COC[C@@H]12 2282710297 MSSPLKDEHGGXKC-OTWHNJEPSA-N 458.364 2.350 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CCN(S(=O)(=O)Cc3ncsc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2282837347 DDULEMJPFUNNPC-HOCLYGCPSA-N 499.464 2.213 30 10 JEEE CC(C)(C)OC(=O)NCC1(CCNS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CC1 2282865602 WNKXSFZVBSHFCQ-UHFFFAOYSA-N 481.424 2.354 30 10 JEEE C[C@@H](NC(=O)C1(CO)CN(C(=O)OC(C)(C)C)C1)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2283969863 DEZHYHXBOBFVNZ-MRXNPFEDSA-N 460.380 2.392 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@](O)(CC(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)C1 2284020012 HCQTXVKAXHOKRS-QFIPXVFZSA-N 481.424 2.211 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@](O)(CC(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)C1 2284020824 QHGPLZBZZUUXTA-QHCPKHFHSA-N 461.368 2.471 30 10 JEEE CO[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)C1 2284047444 FXVSHYQRPIOSKL-GDBMZVCRSA-N 481.424 2.473 30 10 JEEE COC(=O)[C@H](CS(=O)(=O)Nc1cc(C#N)ccc1Cl)NC(=O)OCc1ccccc1 2286029274 ZEBCRCCUPYNCGH-KRWDZBQOSA-N 451.888 2.421 30 10 JEEE C[C@H]1CN(C(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)CC2(CN(C(=O)OC(C)(C)C)C2)O1 2288586555 ROXIVDNNVKOVPE-AWEZNQCLSA-N 479.408 2.293 30 10 JEEE Cc1nc(I)c(I)n1C[C@](N)(C#N)[C@H]1C[C@@H]1C 2307812779 XKDIGVNTMZNIBM-GEOGLEFRSA-N 456.069 2.278 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H]2CN(C(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)C[C@@H]2C1 2359267886 JLXQISLSCNBGCG-PMPSAXMXSA-N 460.384 2.474 30 10 JEEE C=CCn1/c(=N/C(=O)[C@@H]2CCCCN2S(C)(=O)=O)sc2cc(C(=O)OCC)ccc21 13794825 MYMPZAZPYAOUDM-JHBCHSCWSA-N 451.570 2.307 30 10 JEEE Cc1cc(C)nc(N/C(=N/C(=S)NCCCN2CCOCC2)NCCc2cccs2)n1 14159080 DRGDIEKKWLZROW-UHFFFAOYSA-N 461.661 2.352 30 10 JEEE COC(=O)c1ccc(/C=N/Nc2nc(SCC(=O)NCc3cccc(OC)c3OC)n[nH]2)cc1 20905710 BLXAOFZEYXFXNI-BHGWPJFGSA-N 484.538 2.463 30 10 JEEE N#C[C@@H]1C(=O)Nc2nc(N3CCC4(CC3)OCCO4)[nH]c(=O)c2[C@H]1c1c(F)cccc1Cl 72444282 PNHDBECWMOCEBC-SMDDNHRTSA-N 459.865 2.129 30 10 JEEE CC(C)CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1 1136570331 DIXIIJCUZAURGF-QFIPXVFZSA-N 459.554 2.252 30 10 JEEE C#CCN(C(=O)c1c[nH]c2c(Cl)cc(Br)cc2c1=O)[C@@H]1CCS(=O)(=O)C1 1142047184 ZYAGWNVRCFBXLQ-LLVKDONJSA-N 457.733 2.207 30 10 JEEE CC(C)N(C)S(=O)(=O)c1cccc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c1 1153857965 GMUIGKYVZLFFQL-AEFFLSMTSA-N 450.561 2.204 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccccc1CN1CC[C@H](O)C1 1286273613 FRDXCLOOSHKNAA-AMZDPNTKSA-N 467.614 2.392 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCN/C(O)=C1/N=CC=CC1=O 1286276844 ZDNOBRPCWKPJHR-DLTPIXJPSA-N 456.510 2.320 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCCO2)c1 1286309582 SIZAJBGACPHPKW-IBGZPJMESA-N 459.510 2.161 30 10 JEEE C#CCCCn1c(-c2cccc(C)n2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1286348152 GWCQUXOUGXJHSG-UHFFFAOYSA-N 471.612 2.338 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1CC1([S@@](C)=O)CCC1)[C@@H]1CCS(=O)(=O)C1 1286387658 STQPXRBPUFJTGM-VPTFNQTCSA-N 460.625 2.181 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccccc2Br)n1CCCNS(=O)(=O)CC 1286405616 FYEPZYVPKPIHCT-UHFFFAOYSA-N 464.389 2.110 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@H](C)N(C)Cc1ccccc1 1286408833 FQIDBPGQMIYQJD-UNMCSNQZSA-N 453.612 2.164 30 10 JEEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1Cc1cccnc1N1CCOCC1 1286434132 SYQQLQBMFOQFHE-UHFFFAOYSA-N 489.605 2.012 30 10 JEEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1nccn1C(F)F 1286468028 YERUTYJFJZBLSW-UHFFFAOYSA-N 471.516 2.178 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(CN(CC)CC)cc2)CC1 1286470394 YKUOWNDQTQDGSM-UHFFFAOYSA-N 451.619 2.062 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCN(CC)C(=O)OC(C)(C)C)CC1 1286472856 LYWQQZALPLHQGT-RUZDIDTESA-N 490.649 2.331 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2C[C@@H](CC)OC)CC1 1286489068 DWMWIBDOQNWGRW-LJQANCHMSA-N 453.543 2.107 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2cccc(OC)c2)C1 1286509624 UZVBCCRXJLZNOM-ICSRJNTNSA-N 476.624 2.133 30 10 JEEE C#CCSCCn1c(N2CCC[C@H](N3CCCC3=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1286512674 MGSHEDCWCSHAJU-CVDCTZTESA-N 461.632 2.276 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(S(C)(=O)=O)CC1 1286558707 QOFLGBLIFUKBCC-KKSFZXQISA-N 481.569 2.210 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCS(=O)(=O)c1ccccc1 1286581519 KPJJQTXANKTWEZ-SFHVURJKSA-N 466.629 2.447 30 10 JEEE C=CCCOCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1286707570 GWPTWVSCIHOZOA-GOSISDBHSA-N 460.966 2.414 30 10 JEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(OC(F)(F)F)cc1 1286726668 HHACOBWBFVNDCF-QGZVFWFLSA-N 489.520 2.375 30 10 JEEE CCN(CC)C(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCSC2)CC1 1295353171 CWXYXDOXKACOGR-DEOSSOPVSA-N 499.641 2.181 30 10 JEEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(CN2CCCCCC2)CC1 1299300438 DSTVFADKFOGGJV-UHFFFAOYSA-N 485.658 2.458 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](OC)[C@@H](C)CC)c1 1300334191 IIPFKUUUXRJKLI-DSKINZAPSA-N 487.626 2.298 30 10 JEEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 1300421446 GYHWUEJBXRBIKG-IBGZPJMESA-N 453.522 2.353 30 10 JEEE C#CCCCn1c(COc2ccccc2OCC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1300423303 LIGDUNSLRNEMOK-SFHVURJKSA-N 466.542 2.142 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCNC(=O)C1 1300896170 ZYMRQYJBTWWQTE-AOIWGVFYSA-N 460.579 2.268 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](COc2ccccc2)C1 1300952226 OJOWUSVSXFOXCI-AZUAARDMSA-N 461.588 2.092 30 10 JEEE C=C(C)COCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCCO[C@@H](C)C1 1300974858 NZXOEEFRCIGQRF-SFHVURJKSA-N 463.604 2.403 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c(-c2cnccn2)nnc1N1CCO[C@@]2(CCOC2)C1)C(C)C 1301368005 WUWHIPISBFPJRL-QPPBQGQZSA-N 453.591 2.429 30 10 JEEE C=CCn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1301470277 YHAKXIQELMHMSK-LJQANCHMSA-N 482.006 2.327 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1301513908 BWQXPWWNEBTKBP-SFHVURJKSA-N 481.557 2.134 30 10 JEEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCCC(C)(C)C2)CC1=O 1301927276 ARWLDWDHLIPPDM-UHFFFAOYSA-N 495.628 2.146 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCN1CCN(C)C(C)(C)C1 1303638662 BSBWKJMUSJTCGS-FQEVSTJZSA-N 480.665 2.216 30 10 JEEE COc1ccc(CCn2c(C(=O)N3CCCC3)nnc2N2CCO[C@H](C#N)C2)cc1Br 1315457464 DKIYQVTXWGLPJQ-MRXNPFEDSA-N 489.374 2.257 30 10 JEEE COC[C@H](Cn1c(-c2ccccc2OC)nnc1N1CCN(c2ccc(C#N)cn2)CC1)OC 1315797140 FDWHSJAOENKMRT-IBGZPJMESA-N 463.542 2.208 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(CN2CCCC2=O)n1C[C@]1(O)CCC[C@H]1C 1316089095 AJYJDUWMJKEODB-KBMIEXCESA-N 466.586 2.476 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2ccsc2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1358980850 MJRQXNYDYZVSEY-PMACEKPBSA-N 451.575 2.349 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(Cc2ccc(F)cc2)CC1 1359024954 ZDHHTVLCZLWULV-IBGZPJMESA-N 460.575 2.428 30 10 JEEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](C)N(CC)C(=O)OC(C)(C)C)CC1 1359034160 FYBZIMGRQMBARR-GOSISDBHSA-N 456.595 2.079 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCOC2CCOCC2)CC1 1359042132 SUPOXCVIHUIQFF-UHFFFAOYSA-N 496.568 2.405 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCCN(C)Cc2ccccc2)CC1 1359043847 LCDRQWJUBSBGKR-UHFFFAOYSA-N 472.597 2.223 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCCc3ccccc3)n2C[C@@]2(OC)CCOC2)CC1 1359046770 FKWBRXFVVGFMHD-SANMLTNESA-N 465.598 2.225 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cc(C)ccc2C)CC1 1359056858 MTBXCMRLELZCON-HXUWFJFHSA-N 473.668 2.490 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCCCCC1 1359098690 DULUCQHLKCNNBF-ZCNNSNEGSA-N 467.636 2.363 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1359293109 HNRQUFANFGZXJJ-HOYKHHGWSA-N 472.565 2.160 30 10 JEEE CC(=O)NC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCCC[C@@H]2C)CCO1 1359451887 BIKDXFOYWFXISS-RDPSFJRHSA-N 495.628 2.335 30 10 JEEE CC(C)C(=O)NC[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N(C)C)C1 1359628324 BEEBUQWOTKWNFK-FQEVSTJZSA-N 481.601 2.196 30 10 JEEE C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)N1CCOCC1)N(C)C(=O)OC(C)(C)C 1360540099 AHFCWCPUYJSDMC-GOSISDBHSA-N 497.600 2.367 30 10 JEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCN(Cc2ccc(OC)cc2OC)C1=O 1449159811 FUGXTBQSCDTVOE-RBUKOAKNSA-N 459.543 2.228 30 10 JEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCCC[C@@H]1CNC(=O)c1ccccc1 1465597756 ATRFXDGLYHSAPP-FXAWDEMLSA-N 454.552 2.036 30 10 JEEE C#CCN1CCN(C(=O)c2cccc(NS(=O)(=O)c3ccc4c(c3)OCCCO4)c2)CC1 1470909009 SQBWYQBZVPSLEW-UHFFFAOYSA-N 455.536 2.040 30 10 JEEE CCc1nc(CN(C)c2nnc(-c3cccc(C#N)c3)n2CCNS(=O)(=O)CC)cs1 1498385981 HHUDBPSRONGNRV-UHFFFAOYSA-N 459.601 2.411 30 10 JEEE COC[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCS(=O)(=O)C2)C1 1504682023 HDVIHKGEMMSWBV-WOJBJXKFSA-N 473.599 2.416 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1507520350 YUGHEPINJCOUDQ-RGZWJVDOSA-N 457.550 2.260 30 10 JEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1507576645 MXMMMTIXXSUVBD-UHFFFAOYSA-N 479.610 2.495 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H]2CC(F)(F)CO2)CC1 1507716886 VSZABYQLWVPVAS-IBGZPJMESA-N 458.513 2.327 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1507782784 ANTZOWIOHWWNEZ-HZPDHXFCSA-N 473.379 2.457 30 10 JEEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1507848456 YEBSJHVJPWSDTH-JOCHJYFZSA-N 498.676 2.255 30 10 JEEE C=C1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CCNC(=O)c2cc[nH]n2)CC1 1507877171 BUWSONCYYNSZQO-UHFFFAOYSA-N 467.530 2.280 30 10 JEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1ccccc1Cl)N(C)C 1507981358 KDBCLBHOOVATQY-RBUKOAKNSA-N 483.038 2.190 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(OC)CCC(C)CC1)C1CC1 1507992613 GUKNDXZQWBXNNT-OZWAEMERSA-N 467.636 2.361 30 10 JEEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 1508061801 AYARCWOATUQYFU-UHFFFAOYSA-N 483.573 2.355 30 10 JEEE C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(C)(C)C)CC1)N1CCOCC1 1510027447 ALCVWOYNYSFHSO-LJQANCHMSA-N 465.602 2.232 30 10 JEEE CNC(=O)C(C)(C)Cn1c(CCc2ccccc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1517441912 FZFURLRDIIGYOC-UHFFFAOYSA-N 472.597 2.429 30 10 JEEE CNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCN(C(C)C)CC2)C1 1517498611 HJVHORKAVJWGIQ-NRFANRHFSA-N 465.602 2.014 30 10 JEEE COCC1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H](CNS(C)(=O)=O)C2)CCC1 1518792409 ACMBQXPOEAVLNS-LJQANCHMSA-N 472.615 2.399 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCO[C@H](C)C2)c1 1539038379 OFUKKRKYXJDMMK-IEBWSBKVSA-N 452.559 2.288 30 10 JEEE C#CCCCCn1c([C@H]2CCCO2)nnc1N1C[C@@H]2[C@@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1539085569 NEGJHEHNSHNUPY-HCXYKTFWSA-N 493.630 2.060 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H](OC)C(C)C)CC1 1539428287 OUECJZIDBGCHSK-FQEVSTJZSA-N 458.994 2.288 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@](C)(O)[C@H](C)CC)CC1 1539452347 PYOYDSFQYVQZGU-OHUGHZGNSA-N 490.649 2.139 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C)(c2nc(C)no2)CC1 1539615185 GVKAIQHJNQYRKX-SZMVWBNQSA-N 493.634 2.119 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1539627773 LPJQYVOVHABINV-UXLLHSPISA-N 465.480 2.221 30 10 JEEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)CC(C)(C)C1 1539751253 JJHLBWNGAXEJDK-MSOLQXFVSA-N 455.625 2.076 30 10 JEEE C=C(C)COCCn1c([C@H]2CCCCO2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1539751921 XJPYAFPYHBLCBW-NHCUHLMSSA-N 460.623 2.245 30 10 JEEE C=CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1540020987 YHKSJURNNFLBCS-UNMCSNQZSA-N 460.623 2.103 30 10 JEEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@]1(N(C)C)CCSC1 1540054228 OATHBKNRAUTOPP-NRFANRHFSA-N 464.661 2.255 30 10 JEEE C=CCN(CCOC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@H]1CCC(=O)N1 1540198457 KCRLKJQPQQWHLE-QGZVFWFLSA-N 465.558 2.153 30 10 JEEE C#CC[C@@]1(C(=O)N2CCN([C@H](C(N)=O)c3ccccc3)CC2)CCCN1C(=O)OC(C)(C)C 1540549087 BSXMRFIEVPJMSS-CPJSRVTESA-N 454.571 2.150 30 10 JEEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1540872349 LXOZBCIGBOZGRN-UHFFFAOYSA-N 475.544 2.079 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)Cc1ccco1 1540898396 JFQQHCHYSRPWSL-UHFFFAOYSA-N 464.569 2.179 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCN(CC(F)(F)F)CC1 1540900646 CMHPCKFGFSKNBY-UHFFFAOYSA-N 473.521 2.239 30 10 JEEE CC(C)(C)[S@@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](Cn2cccn2)C1 1541233051 BTCLKGQRURMMJI-KGMZSHBCSA-N 467.599 2.466 30 10 JEEE COC(=O)CCCN(Cc1ccccc1)C(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 1566347237 DMNNJRQXAOEXBT-QGZVFWFLSA-N 457.552 2.486 30 10 JEEE C=CCN1CCC(NC(=O)[C@]2(C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CCO2)CC1 1585285265 ZXDSVJKMRKGYTQ-QHCPKHFHSA-N 453.580 2.101 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCc1csc(C)n1)[C@@H]1CCS(=O)(=O)C1 1588040943 SNDOXTLTIKCNRY-HXUWFJFHSA-N 466.592 2.451 30 10 JEEE C#CCN(c1nnc(CSc2ccccc2OC)n1CCC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1588075050 WHUDUPRQMFLAEV-QGZVFWFLSA-N 478.640 2.367 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2Cc2cccn(CC)c2=O)CC1 1588876733 HGGODQUBPKHKQE-NRFANRHFSA-N 495.628 2.335 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC[S@@](=O)CC)CC1 1588890921 IOGGGOIGIJVXSQ-GTOJURISSA-N 475.590 2.292 30 10 JEEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1589077810 AXARRDXBAVRCTI-UHFFFAOYSA-N 483.610 2.374 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCO[C@@H]1CCCC[C@H]1C 1589215621 CFTPSPIDMKEHDK-ISHFTEKXSA-N 479.647 2.198 30 10 JEEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1589427675 VBBQGYDJZYRSAY-KRWDZBQOSA-N 494.463 2.285 30 10 JEEE C=CC[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC(=O)N(C)[C@H](C)C1)c1ccccc1 1594545208 RNPKFHRPBVCBOB-MISYRCLQSA-N 457.600 2.207 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](CC)N1CCc2ccccc2C1 1594963833 XXXQZEUIVCCHAL-VXKWHMMOSA-N 488.658 2.070 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCOC[C@H]1C 1595075761 KOCOCYJTFPRNEY-CTNGQTDRSA-N 489.642 2.102 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1COCCO1 1595085242 SIKZWJYHGSPCJA-FQEVSTJZSA-N 459.510 2.405 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c(-c2noc3c2COCC3)nnc1N1CCN(C(C)=O)CC1)C(C)C 1595171527 WIVSNXSWKXNKSI-OAQYLSRUSA-N 483.617 2.373 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N(C)Cc1cc2c(cc1OC(F)F)OCO2 1595543849 AMNJFKRJKSXMOA-CQSZACIVSA-N 479.484 2.441 30 10 JEEE CC(C)(C)C(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCOCC2)C1 1596925320 DXHJLDDZLSONOQ-HXUWFJFHSA-N 466.586 2.489 30 10 JEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](CCO)c2cccc(OC(F)(F)F)c2)cc1 1630870922 KXFBYFFWXVSIKH-GOSISDBHSA-N 456.442 2.350 30 10 JEEE CN(CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)C[C@H](O)COCc1ccccc1 1644613828 FLWBUXXKGISYCX-BJKOFHAPSA-N 454.546 2.044 30 10 JEEE CCC(O)(CC)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(c2ccccc2C#N)CC1 1649575579 DDGQEPDELIWGMU-GOSISDBHSA-N 489.646 2.028 30 10 JEEE CN(CCc1nccs1)c1nnc(-c2ccc(C#N)cc2)n1CC1(C(N)=O)CCOCC1 1649668163 CXAAFLMXAHZXFW-UHFFFAOYSA-N 451.556 2.234 30 10 JEEE C=C(C)CN1CCC(NC(=O)N2CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C2)CC1 1668488271 IZKSHKLBUQKGCT-GOSISDBHSA-N 451.612 2.089 30 10 JEEE COCC[S@@](=O)Cc1cccc(NC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1 1669153145 FFPJMVPHSFORIF-XFSFLGPDSA-N 454.552 2.376 30 10 JEEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H](c1ccccc1)N1CCOCC1 1689947938 OVNNLKVLRBNELK-RCZVLFRGSA-N 453.587 2.462 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCN1CC=CCC1 1690034770 QXRABSAANJORHE-UHFFFAOYSA-N 465.627 2.271 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1nnc(C)s1 1690049035 XBTXWFRCZCGDSF-KRWDZBQOSA-N 471.587 2.258 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCOC3)n2CC(F)(F)Br)n1 1690108962 ARQRWRXHAHAIEE-CQSZACIVSA-N 473.322 2.252 30 10 JEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)Cc2ccccc2C)CC1 1690154156 JMGGCULBNUZNNO-UHFFFAOYSA-N 480.638 2.080 30 10 JEEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1690288107 IMHSFGXSYABFIO-SJORKVTESA-N 453.609 2.450 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC(N(CC)C(=O)OC(C)(C)C)CC1 1690670905 LUFWHIPTNAHOBT-QGZVFWFLSA-N 462.595 2.310 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cnccn3)n2Cc2cccc(CS(C)(=O)=O)c2)C1 1690697177 PVSQVQXHPIKHBX-IBGZPJMESA-N 454.556 2.109 30 10 JEEE CCOc1ncccc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1696174563 AUTYNYBKBJAODI-IBGZPJMESA-N 495.609 2.424 30 10 JEEE CNC(=O)C(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1696897357 CCOGSVLMXNMUMW-UHFFFAOYSA-N 497.600 2.416 30 10 JEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CC(C)(C)c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1705558853 KFIRFEAEYDTLMD-FQEVSTJZSA-N 487.601 2.258 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1CCN(C)CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1705565051 RZHNMRIRHJWHDK-MRXNPFEDSA-N 485.532 2.075 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@H]1NC(=O)CC1(C)C 1705595968 NAQNKSAJDYNCLX-OAQYLSRUSA-N 485.592 2.443 30 10 JEEE C#CCSCCn1c(N2CCN(c3nc(C)cc(C)n3)CC2)nnc1[C@]1(OCC)CCOC1 1705665501 VUIMSIKXJPOOFR-QHCPKHFHSA-N 471.631 2.030 30 10 JEEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(=O)N(C)C2CCCCC2)CC1 1705729296 RPXDWZRHKMPNHX-REWPJTCUSA-N 474.650 2.491 30 10 JEEE C=C(C)COCCn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1705732097 NBLFZCIZRKUPCL-LJQANCHMSA-N 479.603 2.070 30 10 JEEE C=C(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H]1CCCOC1)c1ccccc1 1705742729 DJSZUYNPLKWHMD-FPOVZHCZSA-N 475.615 2.187 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(C)C)CC1 1705912599 OJWIDVRNYSXSJD-GOSISDBHSA-N 462.620 2.032 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H]1CCCN(c2ccccc2)C1 1705927973 JZCQIFXQKKGDBS-OAQYLSRUSA-N 486.642 2.220 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 1705930976 AQWHQELBOGPZFJ-HXUWFJFHSA-N 485.610 2.439 30 10 JEEE CC[C@H](C)N(C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(c2ccccc2C#N)CC1 1708607849 BCOLCQYGFFHDFP-RBBKRZOGSA-N 499.685 2.499 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCCO[C@@H](C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1722360194 DWSNRNCGYIZAQP-SIKLNZKXSA-N 482.610 2.473 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1Cc1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1722360628 VOJLZRWSEDESNI-IBGZPJMESA-N 450.524 2.097 30 10 JEEE C#CCN(c1nnc(-c2ccccc2)n1C[C@]1(N(C)C)CCSC1)[C@@H]1CCS(=O)(=O)C1 1722363776 VMDKMKVEZHGTKQ-DENIHFKCSA-N 459.641 2.009 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1CCOc1ccc2c(c1)OCO2)[C@H]1CCS(=O)(=O)C1 1722363862 HQKNPTCSMFBLIZ-SJORKVTESA-N 460.556 2.226 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CCOc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1722367082 URHCXYUXZYFSIM-OAQYLSRUSA-N 465.579 2.278 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC2([S@](C)=O)CCC2)CC1 1722433707 DMWSYPPGPYXDNI-YTTGMZPUSA-N 457.600 2.019 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2C[C@]2(O)CCC[C@H]2C)CC1 1722449720 OQWVHYOINKIPIV-FQRUVTKNSA-N 465.598 2.417 30 10 JEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 1722458412 IXOHMXNCDWGDBU-RDJZCZTQSA-N 488.017 2.499 30 10 JEEE C#CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1722461202 PPPUICKFGTZJBE-UHFFFAOYSA-N 470.618 2.119 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCN(C(=O)OC)[C@@H](C)C2)nnc1[C@]1(OCC)CCOC1 1722503729 XPYGCPFFOBBELB-YWNPBTLJSA-N 463.579 2.188 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(c2ncccc2C#N)CC1 1722692069 WDCUYGJJBVBJGS-SFHVURJKSA-N 490.543 2.453 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(Cc3cccnc3)n2CC2(NC(=O)OC(C)(C)C)COC2)C1 1722722683 ROUGLCUJCUEBEE-IBGZPJMESA-N 470.574 2.339 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1722725670 QGHYBLYVESTQQF-MRXNPFEDSA-N 450.609 2.319 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1722727168 MJMOYFZOFLRWBD-INIZCTEOSA-N 486.520 2.492 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2cccc(OC)c2)CC1 1722729189 XUVOBZPLFBXDLF-LJQANCHMSA-N 475.615 2.108 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 1722729292 IJLBNQUCPUSUMZ-QGZVFWFLSA-N 473.521 2.412 30 10 JEEE C=CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1722735233 LLACQWWIGZYNDH-INIZCTEOSA-N 450.586 2.259 30 10 JEEE C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)N2CCSCC2)[C@@H]1C 1726603167 CURIWKKCMQQVAE-IAGOWNOFSA-N 460.629 2.430 30 10 JEEE CCOC1CC(O)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(CC(=O)N(C)C)CC2)C1 1728937474 FYTUQKWVXRLISV-UHFFFAOYSA-N 466.586 2.441 30 10 JEEE CO[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc(F)c2C#N)CC1)C(C)C 1729885252 DNGWHXUXZITXKD-UTKZUKDTSA-N 490.605 2.189 30 10 JEEE COc1cc(OC)cc(-c2nnc(N3CCN(c4ccc(C#N)cn4)CC3)n2CC(C)(C)O)c1 1730019666 HESVRWMSZNADPH-UHFFFAOYSA-N 463.542 2.326 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1CC1(COC)CCC1)[C@H]1CCS(=O)(=O)C1 1740624806 KLFSTBHLLFDTLJ-IBGZPJMESA-N 460.575 2.451 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@@H](C)N(C)C1CC1)[C@H]1CCS(=O)(=O)C1 1740627904 LCVUYDTWXUTJIC-CTNGQTDRSA-N 471.627 2.275 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1cc(OC)c(OC)c(OC)c1 1740645735 KYDKEERTDLBSNC-UHFFFAOYSA-N 474.521 2.462 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCCn2cnc3ccccc32)CC1 1740689336 BFZWHDQRLLBKDZ-UHFFFAOYSA-N 462.602 2.392 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(F)cc2)n1CCS(=O)(=O)N1CCSCC1 1740733004 YIXJGVZJWKRUHX-JOCHJYFZSA-N 477.631 2.379 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2cscn2)CC1 1740750686 SVIAEILEVKIFOF-MJGOQNOKSA-N 459.620 2.176 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(c2ncccc2F)CC1 1740954594 PLWLKGRMBVATGZ-UHFFFAOYSA-N 466.477 2.016 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@H](C)[C@@H](C)C1 1740988716 NLZFPRPFFFRYCV-IRXDYDNUSA-N 456.576 2.004 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1c1ccc(C)cc1 1740992264 NRJQVPHRZIYXBL-VQTJNVASSA-N 478.640 2.431 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](c2ccccc2)[C@@H]1C 1740992854 UWJUBQLDXUVCOV-DFQSSKMNSA-N 478.640 2.163 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)C1 1741230795 ADFPOVINVCOUET-HXUWFJFHSA-N 495.584 2.169 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Cc1cccs1 1748670967 FPRKVROJPFHHSR-BQFCYCMXSA-N 451.618 2.009 30 10 JEEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCCSc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1748816047 WBLRGZQYAFYQLT-MJGOQNOKSA-N 473.624 2.038 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@H](C)N(C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1748820890 JBZRZDZRUOVGBQ-FYYLOGMGSA-N 495.653 2.291 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(F)cn1 1748858585 QEGSRGYTEIXZPK-IBGZPJMESA-N 454.506 2.242 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@](C)(OC)C1CC1 1748882367 PPJDJLWQZQNJDB-XMMPIXPASA-N 469.611 2.473 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(C)OCCc2sccc21 1748892448 OYWZRTCUISUHDT-VGOFRKELSA-N 458.609 2.193 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2cn(CCCC)nc2C)CC1 1749015683 IXRYJVSKLQFKKM-UHFFFAOYSA-N 491.644 2.459 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H](C)CN2CCCCC2)CC1 1749019612 ATDRMFNDNBADQW-PMVMPFDFSA-N 486.661 2.090 30 10 JEEE C=C(Br)Cn1c(N2CCC(C(=O)NC)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1749112483 JKBJQMQCRGVILZ-LJQANCHMSA-N 456.385 2.190 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1749115595 TYBVPSYDMRQPRK-FXAWDEMLSA-N 480.569 2.130 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C2CCC2)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 1749127393 LKBRBKBIIQICJL-LEWJYISDSA-N 481.663 2.404 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](COc2ccccc2)C1 1749268746 GLBRLSNSMUMQKK-MJGOQNOKSA-N 482.006 2.269 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1749655947 VBELCCLSUCXVOE-UHFFFAOYSA-N 467.530 2.137 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@H]1C[C@@H](OCC)C1(C)C 1749656070 ZIOMMFOIWPJSBE-RBUKOAKNSA-N 475.615 2.291 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CCC2(CC1)COC(=O)N2 1749680692 OBABGTJBECRWEU-UHFFFAOYSA-N 456.572 2.260 30 10 JEEE C=CCOc1ccccc1Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)NCC)CC1 1749690871 VZBSKOCSTAQJBM-UHFFFAOYSA-N 450.547 2.143 30 10 JEEE C[C@@]1(C(N)=O)CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCCCCC2=O)C1 1751281729 GCSZLJLYQLEOHT-RUZDIDTESA-N 479.585 2.223 30 10 JEEE C#CCN(c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCC=C)[C@@H]1CCS(=O)(=O)C1 1760181624 YOFDQXSDJIWVRP-GOSISDBHSA-N 490.655 2.140 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCCNc2ccc(C(F)(F)F)cn2)CC1 1760251549 CIFBGPLLLONSHE-UHFFFAOYSA-N 490.534 2.185 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)c2nccs2)CC1 1760389311 HYLWUWWHIMOOEC-JKSUJKDBSA-N 452.606 2.028 30 10 JEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](c2nc(C)c(C)s2)C1 1760510290 PLSVUNSCBUZVBE-IRXDYDNUSA-N 466.633 2.254 30 10 JEEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1760527336 SRPBWTSKMBJTIX-LJQANCHMSA-N 451.531 2.025 30 10 JEEE C=CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1760566338 REZCWMAHVRSSLE-PXNSSMCTSA-N 493.655 2.475 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 1761477387 CXGMHBAPIIMRLR-WMZOPIPTSA-N 495.650 2.275 30 10 JEEE C[C@H]1OCC[C@@]1(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1763267829 BXDGCMRELGZIPI-IVZQSRNASA-N 492.502 2.252 30 10 JEEE CCN1CCN(C[C@@H](C)Cn2c(C(C)C)nnc2N2CCN(c3nccnc3C#N)C[C@H]2C)CC1 1767141528 DLLYGYUWPRCMJB-NHCUHLMSSA-N 480.665 2.052 30 10 JEEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(N(C)C)CCSC2)C[C@H](C)O1 1769490183 BQOFHBWADXKDOH-KPDCDPCYSA-N 456.616 2.494 30 10 JEEE N#Cc1ccccc1S(=O)(=O)Nc1ccc(NC(=O)[C@@H]2CCCN2C(=O)C(F)(F)F)cn1 1858284566 VJJNXGPNCHBSLF-AWEZNQCLSA-N 467.429 2.246 30 10 JEEE C=CCNC(=O)[C@@H](Cc1ccc(OC(C)=O)cc1)NC(=O)c1cccn(Cc2ccccc2)c1=O 1861296462 HAGIFRAHKVFMJU-XMMPIXPASA-N 473.529 2.465 30 10 JEEE CC(=O)Nc1ccc(S(=O)(=O)CCC(=O)NC(C)(C)C(=O)Nc2ccc(C#N)cc2)cc1 1866808267 OEVBOVMOAWCNMY-UHFFFAOYSA-N 456.524 2.214 30 10 JEEE CC(C)[C@H](C(=O)Nc1c(C#N)nnn1-c1ccc2[nH]ncc2c1)N1C(=O)c2ccccc2C1=O 1870143639 URSBKZMUXRPNDT-LJQANCHMSA-N 454.450 2.275 30 10 JEEE CN(c1cc(C#N)ccn1)C1CCN(C(=O)CNS(=O)(=O)c2ccc(Br)cc2)CC1 1891545936 RUFVOSTUFSIYJH-UHFFFAOYSA-N 492.399 2.121 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@@](O)(CC(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)C1 2206630257 HDLXPNXHAYGMJD-HSZRJFAPSA-N 461.368 2.471 30 10 JEEE C=C[C@]1(CO)COCCN1C(=O)c1ccc(Br)cc1I 2207273543 VWLCYYUPGBUVMO-AWEZNQCLSA-N 452.086 2.443 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H]1NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2247881284 VETHALXCJHSYPH-ZIAGYGMSSA-N 458.411 2.381 30 10 JEEE CC(C)(C)OC(=O)NC1(CNS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CC1 2255750550 LQIKYPMOQAJXHS-UHFFFAOYSA-N 452.382 2.321 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H]1CNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2255795944 KKBJAGQRLMLILI-KBPBESRZSA-N 472.438 2.486 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](CNC(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C[C@H]1O 2266996161 FZPQZEWFYCVILS-IAOVAPTHSA-N 466.409 2.441 30 10 JEEE CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2267155006 NPFJEKDDKMHPHK-QHCPKHFHSA-N 457.405 2.151 30 10 JEEE Cc1cc(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 2267159587 JXHPSUBEVLWJON-GOEBONIOSA-N 466.409 2.313 30 10 JEEE CN(CCCCCNC(=O)OC(C)(C)C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2267180663 HLKNOJLEOYMIDP-UHFFFAOYSA-N 450.389 2.486 30 10 JEEE Cc1cc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2O)sc1B1OC(C)(C)C(C)(C)O1 2267218884 AHLYGSRDOOWTJG-HUUCEWRRSA-N 466.409 2.456 30 10 JEEE CC1(C)OB(c2cccnc2C(=O)N[C@H]2COCCN(C(=O)OCc3ccccc3)C2)OC1(C)C 2267261252 SUAGZRFCBOLZML-LJQANCHMSA-N 481.358 2.148 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(C)C[C@@H](O)CN(C)C(=O)OC(C)(C)C 2267527918 OFEAPKPXOXVAMQ-CQSZACIVSA-N 469.413 2.051 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H]1CCOC[C@H]1NC(=O)OCc1ccccc1 2267601622 YTGWQWYJWYFKPN-VQTJNVASSA-N 483.374 2.138 30 10 JEEE CCOC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCN1c1cccc(B2OC(C)(C)C(C)(C)O2)n1 2281507271 YJSZLQPMTQAGAW-MRXNPFEDSA-N 461.368 2.370 30 10 JEEE Cc1c(C(=O)N[C@@H]2C[C@@H](C)CN(C(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281806669 LDXOYGDQKABLCH-GDBMZVCRSA-N 462.400 2.403 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)C(C)(C)[C@@H]2C1 2281982419 MXGADFYDDXLSJR-HUUCEWRRSA-N 460.384 2.426 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]3C[C@H]2[C@H]1[C@@H]3NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2281991222 XLVGTJUESQSZGE-BHUQQCALSA-N 458.368 2.083 30 10 JEEE C[C@H]1CCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)[C@@H](CNC(=O)OC(C)(C)C)C1 2282043261 MLUVBLUSNVHIQL-JKSUJKDBSA-N 462.400 2.485 30 10 JEEE CC(C)[C@H]1[C@@H](NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CCN1C(=O)OC(C)(C)C 2282063093 HMYDWSIKBIEPFK-IRXDYDNUSA-N 462.400 2.483 30 10 JEEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)N(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2282188946 CWQNSUPNOMNWSF-CVEARBPZSA-N 460.384 2.493 30 10 JEEE CO[C@H]1CN(C(=O)c2nc(C)ccc2B2OC(C)(C)C(C)(C)O2)C[C@H]1NC(=O)OC(C)(C)C 2282555682 XAMYPUZFGHSLHI-SJORKVTESA-N 461.368 2.053 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1C[C@@](F)(CNC(=O)OC(C)(C)C)C1 2282581767 MKZAXEBJDCLIAG-CAJLXGCNSA-N 466.363 2.153 30 10 JEEE C[C@@H]1C[C@H](NC(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)CCN(C(=O)OC(C)(C)C)C1 2282588889 JHOMHYROUPMZFL-HZPDHXFCSA-N 462.400 2.485 30 10 JEEE CC(C)(C)OC(=O)NCCCC[S@@](C)(=O)=NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2282625480 VWVWREYUHSVUQX-MGBGTMOVSA-N 482.412 2.319 30 10 JEEE C[C@H](NC(=O)[C@]1(CO)CCCN1C(=O)OC(C)(C)C)c1nscc1B1OC(C)(C)C(C)(C)O1 2283963054 HYJFKHFYLCTOJQ-RCDICMHDSA-N 481.424 2.382 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@H](CC(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2283984136 SLWLAZBUWJTPBE-OAHLLOKOSA-N 465.331 2.484 30 10 JEEE CCn1cc(C(=O)N2C[C@H]3C[C@@]3(CNC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2288253552 YOQLYVGFMHRSOH-IQMFZBJNSA-N 460.384 2.189 30 10 JEEE COc1cc(OC)c2c(c1Cl)O[C@@]1(C(=O)C(=CNCCSCCO)C(=O)C[C@H]1C)C2=O 2297633247 HJSRQBIRCXEAAF-FIKIJFGZSA-N 469.943 2.048 30 10 JEEE CC(C)N1C[C@@H](c2nnc(SCC(=O)NCc3ccco3)n2N=Cc2ccc[nH]2)CC1=O 2329018167 RQWDLFYUHNUNLK-HNNXBMFYSA-N 455.544 2.214 30 10 JEEE C[C@@H](C#CC(=O)O)NC(=O)Nc1cc(I)cc(I)c1 2341176596 IGMLYNHXJBSQBK-ZETCQYMHSA-N 484.031 2.494 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@]12CC[C@@H]1CN(C(=O)OC(C)(C)C)C2 2362348465 RNIAZLNHVMZACN-IQMFZBJNSA-N 460.384 2.096 30 10 JEEE N#Cc1ccc(CSc2nc(CC(=O)N3CCN(C(=O)c4ccco4)CC3)cc(=O)[nH]2)cc1 23243271 XBKZHELKRGSUGJ-UHFFFAOYSA-N 463.519 2.054 30 10 JEEE C[C@H]1Oc2cc(S(=O)(=O)N3CCN(C(=O)c4ccc(C#N)cc4)CC3)c(Cl)cc2NC1=O 64889789 CDWCVZBWXWTPTI-CYBMUJFWSA-N 474.926 2.078 30 10 JEEE CO/N=[N+](\[O-])CC(=O)N1[C@@H](C)CN(S(=O)(=O)c2ccc(C)cc2)[C@H]1c1ccc(OC)cc1 103936575 VXGNBBQVVVHENN-WSOTVUONSA-N 462.528 2.448 30 10 JEEE CCOc1ccc(C=NNc2nc3c(c(=O)n(Cc4ccccc4)c(=O)n3C)n2C)cc1OC 254845561 FBZXVAXDTVXDMR-UHFFFAOYSA-N 462.510 2.335 30 10 JEEE CN(C(=O)c1ccc(NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)cc1)C1CCOCC1 1136195071 DBUUZBMJDSBWKF-UHFFFAOYSA-N 455.536 2.363 30 10 JEEE C#CC[C@@]1(C(=O)N2CCC(S(=O)(=O)N3CCCC3)CC2)CCCN1C(=O)OC(C)(C)C 1139102019 HMTHJJOAJPAROX-QFIPXVFZSA-N 453.605 2.196 30 10 JEEE COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)NCCn2cc(C#N)c(O)nc2=O)c1 1148392773 IACPSJQBIAFIFF-UHFFFAOYSA-N 456.462 2.112 30 10 JEEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccnc(OC2CCOCC2)c1 1286362414 BCCSAUXHNDLVPU-DEOSSOPVSA-N 455.559 2.389 30 10 JEEE C#CCN(c1nnc(C2CC2)n1Cc1ccc(C(=O)N(CC)CC)cc1)[C@@H]1CCS(=O)(=O)C1 1286389347 IIJNOORBWAFGMU-OAQYLSRUSA-N 469.611 2.313 30 10 JEEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H](C)N1CCN(c2ccccc2)CC1 1286400995 MHIWHAXEECCADL-WNCULLNHSA-N 476.625 2.214 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(F)ccc3Br)n2CCN2CCOC[C@@H]2C)CC1 1286473899 USVMTWNVCLLQFW-KRWDZBQOSA-N 491.409 2.323 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)CCNC(=O)C(C)C 1286552392 QHQRECQGDUCLAE-TZIWHRDSSA-N 479.589 2.110 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(C)[C@H](C)CS(=O)(=O)CC 1286562614 GZEGUKVAYAROJU-DYXWJJEUSA-N 464.636 2.380 30 10 JEEE C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1286585377 ZIMLIPOGXKLWDF-UHFFFAOYSA-N 466.590 2.072 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2c(Cl)cccc2C1 1286592478 HCDDEALGLLTGTB-SFHVURJKSA-N 451.980 2.403 30 10 JEEE C=C(C)Cn1c(N2CCC(N(CC)S(C)(=O)=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1286598846 FPHAPHNEOMPIDP-OAQYLSRUSA-N 455.625 2.145 30 10 JEEE C=C(Cl)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(C(=O)NCC)CC1 1286628063 AVNIWBSKJXYBEH-UHFFFAOYSA-N 459.986 2.056 30 10 JEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1286695286 TTZHPSZPHQYANG-YESZJQIVSA-N 468.624 2.158 30 10 JEEE C=CCCOCCn1c(Cc2ccsc2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1286712960 PYPLPLRRZXSMHX-JOCHJYFZSA-N 458.588 2.338 30 10 JEEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc2c(cc1OC)C[C@H](C)O2)C1CC1 1286731652 CDGJMDVMWJEAQH-LSDHHAIUSA-N 461.588 2.423 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1286793886 OXLODGKUXQDOJH-QWFCFKBJSA-N 460.623 2.240 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(Cc2cccc(F)c2)CC1 1286818752 NEQDMIJESKDMIH-UHFFFAOYSA-N 470.574 2.402 30 10 JEEE CC(C)C(=O)NCCn1c(COc2ccccc2F)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1287137957 CLSNMYXFJHNZOJ-UHFFFAOYSA-N 492.559 2.362 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@H]1CN(Cc2ccccc2)CCO1 1288124352 CCDWCJLYVPPQFX-PXDATVDWSA-N 465.602 2.447 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1nccc(C(F)F)n1 1300302464 AFRWFAPVISHVDV-CYBMUJFWSA-N 450.453 2.426 30 10 JEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)Nc2ccccc2)CC1 1300381651 VBHNQKPDMCXYET-KRWDZBQOSA-N 458.588 2.157 30 10 JEEE C#CCN(CC#CC)c1nnc(Cc2csc(C)n2)n1Cc1cccc(S(=O)(=O)NC)c1 1300587717 UCVHOZAVBJNCHV-UHFFFAOYSA-N 468.608 2.053 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CCNC(=O)OC(C)(C)C)CC1 1300725926 GPRAISVDYSSJIM-UHFFFAOYSA-N 484.576 2.499 30 10 JEEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1300765440 DUIBSPINYXPKNA-MRXNPFEDSA-N 464.563 2.140 30 10 JEEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1300779538 XVCUQWBKTDBSJL-IHPCNDPISA-N 460.604 2.163 30 10 JEEE C=CCC(C)(C)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCO[C@H](C(=O)NC)C1 1301138756 FFGOUMZEUINRRJ-KRWDZBQOSA-N 489.646 2.100 30 10 JEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 1301223410 USOYWMHVEHWIJM-MSOLQXFVSA-N 498.650 2.071 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 1301491163 FIBNVILGIXBSED-SFHVURJKSA-N 490.605 2.217 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1301579599 XKQIFZFSICLGKG-SJORKVTESA-N 491.618 2.075 30 10 JEEE C=CCSCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)CC(=O)N1CCOCC1 1301606070 IKSFJLRCQOZYQQ-UHFFFAOYSA-N 467.599 2.345 30 10 JEEE C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)C[C@@H]1CC[C@H](NC(=O)OCc2ccccc2)C1 1309088770 WPVHCCDTIXSHIR-AABGKKOBSA-N 470.613 2.086 30 10 JEEE CCN(CC)C(=O)c1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@H](C#N)C2)cc1 1313633893 FPVFHZMCDJCPRI-HXUWFJFHSA-N 488.552 2.184 30 10 JEEE N#Cc1ccc(OCc2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2CCS(=O)(=O)CC2CC2)cc1 1316533203 HJPPAARHPWHFCL-GOSISDBHSA-N 499.515 2.321 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1358876573 MNNURRZHUQXLOR-GJZGRUSLSA-N 453.515 2.286 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCN1CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1358955536 NSPHTINCJJTLMV-UNMCSNQZSA-N 498.653 2.258 30 10 JEEE C#CCN(c1nnc(C(C)C)n1Cc1c(Cl)c(C(F)(F)F)nn1C)[C@@H]1CCS(=O)(=O)C1 1358956011 YLVPOKRLHQENKJ-GFCCVEGCSA-N 478.928 2.482 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1cc(COC(C)(C)C)on1)[C@@H]1CCS(=O)(=O)C1 1358961503 ADDNCRLRWZRLKC-UYAOXDASSA-N 491.614 2.498 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCN1C[C@H](C)O[C@H](C)C1 1359021301 KHZXBOJTAZHVQD-BGYRXZFFSA-N 469.586 2.302 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(C(=O)N3CCCC3)n2C[C@@]2(C)CCCS2)n1 1359027512 MGRDPUSCHKEGQP-HSZRJFAPSA-N 471.631 2.283 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2cccn(CC)c2=O)CC1 1359039351 FNABQVZUHYAZDS-NHCUHLMSSA-N 452.603 2.182 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCCc2ccnc(C(C)(C)C)n2)CC1 1359040534 YZFWRUUFJPAUTC-UHFFFAOYSA-N 494.644 2.102 30 10 JEEE C=C(Br)Cn1c(CCc2ccccc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1359087271 ZHMBKWGOKMFDQS-UHFFFAOYSA-N 473.375 2.493 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1359102996 IPXPCIXFYVMJRQ-OHCHIEETSA-N 499.660 2.488 30 10 JEEE C=C(C)COCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(CC(F)F)CC1 1359131290 OGWSSOFGUGMBRV-UHFFFAOYSA-N 483.589 2.218 30 10 JEEE C=C(Cl)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1359155452 YPUQUCQZCUJHIF-GOSISDBHSA-N 455.993 2.037 30 10 JEEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@H](CC(C)C)C1 1359298317 VHPTUFCJYJEHSV-QGZVFWFLSA-N 459.620 2.413 30 10 JEEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCc2cc(Br)ccc2C1 1359304472 YWMMCIYQDZXAGN-UHFFFAOYSA-N 473.375 2.028 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCn2c(C)nc3ccccc32)C1 1359313390 LGPHEORFWCJTSO-AEFFLSMTSA-N 473.603 2.028 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](CC)c2ccccc2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1359327949 OXTOWSJJRABPMB-XXBNENTESA-N 473.599 2.452 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(N2CCCC2)cc1 1359331623 DQBAQUDUXYLUJI-HXUWFJFHSA-N 472.615 2.067 30 10 JEEE CCS(=O)(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2ccccn2)CC1 1503272397 FKWORQRYBIBDNM-UHFFFAOYSA-N 465.583 2.363 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2ccc(OC)cc2)CCC1 1507538292 LGDYAFSOUKWLQL-WIYYLYMNSA-N 487.626 2.199 30 10 JEEE C#CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@@H]1CCS(=O)(=O)C1 1507611923 SQHNROKWUDYRBK-ZDUSSCGKSA-N 453.362 2.220 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@@H](c1ccco1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1507629528 NDYYHTUFJXMONM-QUCCMNQESA-N 483.594 2.476 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1Cc1nc(C)cs1)[C@H]1CCS(=O)(=O)C1 1507630167 ZQFUNXAZDUXUSL-KRWDZBQOSA-N 487.607 2.402 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1CCOc1c(C)cccc1C)[C@H]1CCS(=O)(=O)C1 1507633571 TUXFRTXFVDCHPB-PMACEKPBSA-N 458.584 2.105 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 1507690649 URIOZBGJBWYSRN-YDZRNGNQSA-N 477.631 2.143 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc3ccccc3n2)n1C[C@H]1CCCS(=O)(=O)C1 1507707782 DBFTWDJIAYKOFG-GOSISDBHSA-N 453.568 2.404 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC2CCOCC2)CC1 1507734280 KLNCYNKFTOIVRU-UHFFFAOYSA-N 467.570 2.355 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCC[C@@H]2CCCCO2)CC1 1507734344 VUMFNTBPMJJGSV-FQEVSTJZSA-N 479.585 2.241 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccnc(SC)c2)CC1 1507740088 XGEJUYRHQNMERW-IBGZPJMESA-N 454.600 2.303 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CCc1ccc(O)cc1 1507831575 AFLPZVYDSPXDJO-FXAWDEMLSA-N 463.604 2.350 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCCN(CC(C)C)C2)CC1 1507902508 KGOKJKPGVGHXQS-FGZHOGPDSA-N 494.706 2.381 30 10 JEEE C=CCC(C)(C)Cn1c(-c2ccccc2C)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1507913190 VCTWBTTUXCZYJT-UHFFFAOYSA-N 478.601 2.322 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(Cl)s1 1508144829 HWEQSXGWTDHYFK-ZDUSSCGKSA-N 479.049 2.132 30 10 JEEE CCO[C@]1(c2nnc(N(C)Cc3ccc(C#N)cc3)n2C[C@@H](C)CN2CCOCC2)CCOC1 1516130612 ACOWSDJIVDXUBY-NBGIEHNGSA-N 468.602 2.407 30 10 JEEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)N(C)C2CC2)C[C@H](C)O1 1518939365 DDNOPIRHHMPBNZ-FGSXEWAUSA-N 454.575 2.452 30 10 JEEE C#CCN(c1nnc(-c2cc(C)nc3ccccc23)n1CCCC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1539206819 WDLDFYOWGLJABG-IBGZPJMESA-N 494.621 2.297 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccccc1CN(C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1539216496 SXPJDOAAEMHAFL-HSZRJFAPSA-N 495.653 2.194 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCSC1 1539392325 OSGHBZDZUZCWRS-QUCCMNQESA-N 493.630 2.143 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H](c2ccccc2)N(C)C)CC1 1539430798 OFWWOLFAWPSNEK-BVAGGSTKSA-N 466.630 2.377 30 10 JEEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1539527116 UKWFXXWMJFGMNO-OAQYLSRUSA-N 463.567 2.197 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1539641110 CYGQMBZNYUWJOY-QKLQHJQFSA-N 470.540 2.455 30 10 JEEE C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1539683274 LLVMXGDWNDPURN-WOJBJXKFSA-N 480.617 2.128 30 10 JEEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1539953611 SWEFMPDRDCUIIN-KRWDZBQOSA-N 478.594 2.346 30 10 JEEE C=CCn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1540856401 UJVVMYVPJNVFSJ-UHFFFAOYSA-N 466.586 2.483 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@H](OCc2cccc(OC)c2)C1 1540869946 AYZNZWDVHHSIFI-CTNGQTDRSA-N 455.559 2.278 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCCO[C@@H](C)C1 1540870474 OEJZINXADVQTBU-ZWKOTPCHSA-N 462.595 2.310 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC(O)(Cc2ccc(F)cc2)CC1 1540902673 OEXKTNDIFJEGGB-HXUWFJFHSA-N 492.617 2.486 30 10 JEEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1540908586 YWOCDTPFNJVLPE-MRXNPFEDSA-N 455.588 2.340 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1Cn1cccn1 1541115573 BJYBAKQXAWRDGQ-YLJYHZDGSA-N 453.572 2.069 30 10 JEEE COCCNC(=O)[C@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CC12CCN(C(=O)COC)CC2 1548379210 ISGYTKPNZMWASF-LJQANCHMSA-N 482.503 2.031 30 10 JEEE CN(C)C(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N(C)CCN1CCOC(C)(C)C1 1552680417 FNKLXLABAYEFCH-UHFFFAOYSA-N 453.591 2.232 30 10 JEEE C[C@H](O)C[C@H](CNC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)c1ccccc1 1564307481 DVQQIPVDOXVIDI-GHTZIAJQSA-N 456.568 2.129 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCc1nnc(C)s1 1587579824 KIFGVEJCOVOOSP-CQSZACIVSA-N 459.601 2.056 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@](C)(O)[C@@H](C)CC)c1 1587693116 PGTIGFOVQIUWBW-PDOGEWKWSA-N 487.626 2.034 30 10 JEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ncnn1-c1ccccc1 1587990145 SXSRAIYIKJSXCJ-LJQANCHMSA-N 478.557 2.285 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1C[C@@H](C)SC)[C@H]1CCS(=O)(=O)C1 1588034587 IVISNOASVRSPIX-HIFRSBDPSA-N 486.461 2.424 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1Cc1ccc(-n2cncn2)nc1 1588113998 YBCZJYGQZOAVNF-UHFFFAOYSA-N 454.494 2.059 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@H](COC)OC)CC1 1588768252 COJXWZIFSKDXTF-GOSISDBHSA-N 462.392 2.433 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2Cc2cccc(N(C)C)c2)CC1 1588955206 RKILHCVWRYMPFN-UHFFFAOYSA-N 457.582 2.344 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC=CO1 1595260251 GZJHBALDRNTQDG-PMACEKPBSA-N 477.587 2.132 30 10 JEEE C=CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1CC1(O)CCOCC1 1595267067 PFRIVNOUKKWATO-UHFFFAOYSA-N 454.369 2.226 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCC(c2ccnn2C)CC1 1595595452 VOHWJWVROMUXGK-UHFFFAOYSA-N 453.522 2.416 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1595822407 GZBPFNIUZIPLOC-FQEVSTJZSA-N 496.655 2.088 30 10 JEEE COCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(Cc2cc(C)on2)CC1 1619878196 DIMMTUVJYTWRSR-UHFFFAOYSA-N 464.574 2.014 30 10 JEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1CC2(CCOCC2)Oc2ccccc21 1643510153 BGLTUAUTBCDYNF-OXJNMPFZSA-N 455.536 2.414 30 10 JEEE C=CCn1cc(CNC(=O)NCCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)nn1 1665884352 JQMQKTOCPZBWOG-UHFFFAOYSA-N 451.497 2.494 30 10 JEEE C#CCN(C(=O)Nc1ccc2c(c1)N(C(=O)Cc1ccccc1)CC2)[C@H]1CCS(=O)(=O)C1 1670250542 SQWMJMJANRDDSC-NRFANRHFSA-N 451.548 2.473 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@]1(N(C)C)CCSC1 1689848183 QCNCTOXPGXBTJG-MWTRTKDXSA-N 451.600 2.087 30 10 JEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCC2 1689892633 KDWDAGHJFFTYTD-SLFFLAALSA-N 479.647 2.198 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(OCC)c(OC)c2)n1CC1CCS(=O)(=O)CC1 1690009547 AEJQNDCUXILZFE-UHFFFAOYSA-N 456.568 2.250 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1CCCNC(=O)c1cccc(O)c1 1690190439 UYAJYXZBPMIIPA-RUZDIDTESA-N 473.537 2.443 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(CC(N)=O)CC1 1690251350 TXEDDPHTTOHNHK-LAUBAEHRSA-N 472.615 2.343 30 10 JEEE C=C(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1690284520 FUSRSHVJXFJXDF-MRXNPFEDSA-N 472.571 2.200 30 10 JEEE C=C(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1690287890 ZDPNFUDOACYUHO-MRXNPFEDSA-N 452.606 2.024 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1CC1(S(C)(=O)=O)CCC1 1690560659 XZZZGYXFCILFJC-LJQANCHMSA-N 468.583 2.261 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCO[C@@]2(CCOC2)C1 1690730096 VGVXYOJDVZIZEQ-QHCPKHFHSA-N 476.599 2.070 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1690730177 ZIZABQGMPWBNOK-UHFFFAOYSA-N 488.536 2.088 30 10 JEEE CC(=O)N(C)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCCS2(=O)=O)CC1 1690762795 BKAUOVKUFCKNBJ-OAQYLSRUSA-N 470.599 2.231 30 10 JEEE C[C@H](N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC2CC2)CC1)C(F)(F)F 1692758281 DIBDPYBXEHIKPY-HNNXBMFYSA-N 461.492 2.416 30 10 JEEE CCNC(=O)c1cccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@@](C)(C#N)C2)c1 1695930084 BHSVEADBPUCKFD-CVDCTZTESA-N 470.599 2.108 30 10 JEEE CNC(=O)[C@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCCO[C@H](C)C2)C1 1696926375 AWKMYHCLFQFMNS-FQRUVTKNSA-N 495.628 2.192 30 10 JEEE C#CCN(c1nnc(C)n1Cc1ccc(NC(=O)c2ccco2)cc1)[C@H]1CCS(=O)(=O)C1 1705560334 FYPWOJOIMSWHHV-IBGZPJMESA-N 453.524 2.107 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H]1CCSC1)[C@H]1CCS(=O)(=O)C1 1705563099 QTELURUETCRHHH-IRXDYDNUSA-N 476.624 2.342 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1CCc2ccccc2C1 1705599171 VXRDFHSODJEPAR-HSZRJFAPSA-N 465.623 2.092 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H]2CC(F)(F)CO2)CC1 1705650613 VPBAGHWXMSCRAM-KRWDZBQOSA-N 464.542 2.024 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2ccccc2C#N)CC1 1705898450 METCEUUISYBDJQ-UHFFFAOYSA-N 462.945 2.494 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1705906623 KULGUNXOFLBUON-IBGZPJMESA-N 469.586 2.496 30 10 JEEE C[C@H](C(=O)N1CCCC1)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(C)(C)O)CC1 1706080446 DYMUVLLBRABULJ-HXUWFJFHSA-N 495.628 2.023 30 10 JEEE CC(C)(C)OC(=O)N(CCn1c(-c2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1)C1CC1 1706155342 FWKAZLUIFLSVKC-UHFFFAOYSA-N 486.598 2.451 30 10 JEEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@H]1CCCS(=O)(=O)C1 1706190290 GILZDRJEDRNANK-BZLDKRAPSA-N 453.584 2.463 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1Cc1ccc(F)cn1)[C@H]1CCS(=O)(=O)C1 1722363494 AABNNIGUQPXMLV-NRFANRHFSA-N 453.543 2.386 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CC1(C)CCOCC1)[C@H]1CCS(=O)(=O)C1 1722372432 WPVTXADJSSGGMO-FQEVSTJZSA-N 483.594 2.172 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnn(C)c3)n2C[C@H]2C[C@H](C)O[C@H](C)C2)n1 1722427100 GKKUROXLVHNWCN-ACDBMABISA-N 466.590 2.365 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(CC)cc3)n2CC2(O)CCN(C(C)C)CC2)CC1 1722434879 YWMUVBQLXXHQTE-UHFFFAOYSA-N 450.631 2.498 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccn3C)n2Cc2c(Cl)c(C(F)(F)F)nn2C)CC1 1722435375 LLTGSLCDHGHDQR-UHFFFAOYSA-N 466.899 2.493 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cc(C(CC)CC)no2)CC1 1722446908 BLPGMWFNADCRTQ-IBGZPJMESA-N 467.574 2.135 30 10 JEEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)Cc1cnn(C)c1C 1722455725 VEUWESXAEVCMQL-UHFFFAOYSA-N 458.613 2.393 30 10 JEEE C#CCSCCn1c(Cc2cn3ccccc3n2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1722463314 XUWKIFQANJFZEB-BGYRXZFFSA-N 467.643 2.428 30 10 JEEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 1722463371 ZZZXXNSTDFZNBD-FYYLOGMGSA-N 495.697 2.447 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(COc2cccc(C)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1722476396 TVBBSUXXZKLBIZ-WMZHIEFXSA-N 457.600 2.439 30 10 JEEE C=C(Cl)Cn1c(-c2ccc(C)o2)nnc1N1CCN([C@H](C)C(=O)NCCCOC)CC1 1722545046 RKUOOFZVMLOOAT-QGZVFWFLSA-N 450.971 2.262 30 10 JEEE C=CCN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@H]1CCCN1S(C)(=O)=O 1722633417 TTYNAMHNNKPMNM-CQSZACIVSA-N 457.398 2.092 30 10 JEEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCN1C[C@H](C)O[C@H](C)C1 1722638112 NFHBYCYVLBMWPW-HDICACEKSA-N 461.636 2.360 30 10 JEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(Cc2cc(C)no2)CC1 1722685850 JPKGYZWIZSEUJP-IBGZPJMESA-N 473.578 2.391 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 1722698542 HKYYQBPQUJVEBG-ROUUACIJSA-N 462.595 2.215 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1722724305 SRMIGRQSHJYHMX-FRQCXROJSA-N 494.017 2.387 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H]1Cc1cccs1 1722724655 CKHGGAMENUZBBC-MRXNPFEDSA-N 451.618 2.290 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCN(CC2CCOCC2)CC1 1722725053 CUOXSNVKIOKUNS-UHFFFAOYSA-N 477.606 2.234 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2ccc(F)cc2F)CC1 1722867372 GCEDSOWYRGZIPO-HNAYVOBHSA-N 494.568 2.217 30 10 JEEE C#CCCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1740567463 KYQUWRXLYVTVOS-SFHVURJKSA-N 492.671 2.364 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1CCc1nc(C(C)(C)C)cs1)[C@@H]1CCS(=O)(=O)C1 1740627633 RPFWSMIXFNVVOC-DLBZAZTESA-N 477.656 2.405 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2C[C@@H](C(C)C)N2CCOCC2)CC1 1740708642 WZEZVBXSTBLXFF-VWLOTQADSA-N 492.668 2.386 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(CC(F)(F)F)CC1 1740763227 ZRKVACMUNOEDSS-KSZLIROESA-N 491.580 2.236 30 10 JEEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1740789436 FAMYXVVHFTUTKM-INIZCTEOSA-N 469.011 2.352 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(Cc1ccccc1)C[C@H]1CCCO1 1740951000 OZODCPMPEMUDMK-HXUWFJFHSA-N 452.559 2.002 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1740964613 RQLNODZBBDEEMF-SFHVURJKSA-N 468.558 2.098 30 10 JEEE C=CCOc1ccccc1Cn1c(Cc2csc(C)n2)nnc1N1CCN(CC(=O)N(C)C)CC1 1740971039 HFMLXJRCUGKRRU-UHFFFAOYSA-N 495.653 2.457 30 10 JEEE C=CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCC2(CC1)COC(=O)N2 1741005845 TUUJIPQGLPJWMP-UHFFFAOYSA-N 462.601 2.268 30 10 JEEE CCOc1c(OC)cc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@](F)(C#N)C2)cc1OC 1746757707 BHEDEEPSNNEYRB-QRQCRPRQSA-N 458.494 2.135 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(SC)CCC2)c1 1748691640 IFOGNNQCAHVQMI-INIZCTEOSA-N 490.655 2.230 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](OC)C(C)(C)C)c1 1748692972 UIRYJAJGRQSLHR-RTBURBONSA-N 452.559 2.347 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H](OC)c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1748818355 ASEAXDZWAVQOMJ-FCHUYYIVSA-N 483.569 2.417 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1CCCN1CCCO[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1748820730 IATXHKINLCYUHB-UPVQGACJSA-N 499.681 2.191 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1CC(F)(F)CO1 1748869045 RMNLBMBCZJYGOO-QGZVFWFLSA-N 476.553 2.434 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC(=O)NC(C)C 1748962702 OXDWUNMRMTWGJJ-LJQANCHMSA-N 476.622 2.393 30 10 JEEE C#CCN1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CCOCCCC)CC1 1748978007 HNJGRIGMSPMXBR-UHFFFAOYSA-N 473.647 2.119 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H]2CCCS2)CC1 1749003231 BZGFPFXXMPMFPI-AUSIDOKSSA-N 461.632 2.180 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(OCCO)c(OC)c1 1749055090 DRHUOZXVMPBPHO-JWQCQUIFSA-N 470.570 2.350 30 10 JEEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(Nc2cc(OCC)ncn2)CC1 1749097526 CFZHEXOQZQMNLS-OAHLLOKOSA-N 491.394 2.407 30 10 JEEE C=C(C)COCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H](C)O[C@@H](C)C1 1749216531 PNYUCMZXCAAUFN-ROUUACIJSA-N 463.604 2.402 30 10 JEEE C=C(C)COCCn1c(-c2cccnc2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1749220278 CYNPJCMPNJMTBC-OAQYLSRUSA-N 467.618 2.456 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc2c(c1)OCCO2 1749229546 LLXHATMQMSXFFM-GOSISDBHSA-N 462.572 2.181 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N2CCCCC2=O)CC1 1749725749 YJJQCSWGWREYMU-UHFFFAOYSA-N 482.610 2.399 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCN1CCCO[C@@H](C)C1 1760110386 CWYRQRRCDJIAQP-OALUTQOASA-N 473.647 2.197 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1Cc1cnn(CC)c1)[C@H]1CCS(=O)(=O)C1 1760182008 AJUKYZRLTPJUBT-NRFANRHFSA-N 452.584 2.399 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCN2CCN(C)C(C)(C)C2)CC1 1760253465 FQOHOHGZQXGRIU-NRFANRHFSA-N 483.636 2.338 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2Cc2ccc3c(c2)CCCN3C)CC1 1760257447 WXNVVZFALSPMSX-FQEVSTJZSA-N 452.603 2.188 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@@H]2CC[C@H](CO)O2)CC1 1760264650 VJRWHERFCKFNRO-ZWKOTPCHSA-N 480.396 2.459 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCc2ccc(OC)c(F)c2)CC1 1760265732 IAQBYPIRKGKENQ-AREMUKBSSA-N 499.587 2.286 30 10 JEEE C#CCSCCn1c(CCCc2ccccc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1760283109 BNGFNHVZVUJPEV-UHFFFAOYSA-N 463.611 2.407 30 10 JEEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](Cn2cccn2)C1 1760313115 JNBUZXSKWMUYBY-BBWFWOEESA-N 467.368 2.013 30 10 JEEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2nccc(OC)n2)CC1 1760313578 OPXJEWXTGWXQOK-CQSZACIVSA-N 450.341 2.163 30 10 JEEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1760346363 VMQOFMGHYIUVSN-BBWFWOEESA-N 471.624 2.420 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1760412976 VNHRVPZPJZLEAF-RTBURBONSA-N 478.663 2.365 30 10 JEEE C=CCCOCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCNC(=O)CC1 1760449524 MNPBDGDCMVXSOD-UHFFFAOYSA-N 465.558 2.155 30 10 JEEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(NC(=O)C2CC2)CC1 1760510113 GWWUHJIVHBSPSW-GOSISDBHSA-N 460.579 2.268 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1760520729 XYMXOQCFEAZGBM-UHFFFAOYSA-N 465.558 2.183 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2cccc(C(=O)N(C)C)c2)C1 1760536082 CAJHPFOLBHPLJZ-SQJMNOBHSA-N 469.586 2.462 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(F)cc2Br)nnc1N(C)[C@H](C)CC(N)=O 1760553778 ZMYTYUDARXWOCA-GFCCVEGCSA-N 488.383 2.148 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@H](COC)C1 1760554416 DDGYOOOASHWPIA-FXAWDEMLSA-N 462.572 2.254 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1760554544 GXBMUDAYILKHLR-OALUTQOASA-N 478.018 2.371 30 10 JEEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccc(C)cc2)CC1 1760565434 XEQVTIJMYOUTMW-IBGZPJMESA-N 454.600 2.419 30 10 JEEE C[C@@H]1COCCN1CCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1763232287 CVSBUAVVLLHCRF-VQIMIIECSA-N 480.491 2.217 30 10 JEEE CC[C@H](C)[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1)OC 1763464203 FCVGUAFGFIIVCT-XKGZKEIXSA-N 453.547 2.004 30 10 JEEE COCCN(C)CCn1c(Cc2ccccn2)nnc1N1CCCN(c2ccccc2C#N)CC1 1769792672 ABMFDLWHPKXJSU-UHFFFAOYSA-N 474.613 2.430 30 10 JEEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@@H]1c1ccc(O)c(O)c1 1862458297 KSXBVJUDFDLSEX-SFHVURJKSA-N 450.369 2.230 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(O)c([N+](=O)[O-])c2)cc1OC 1862579954 WJAMUSIGHZRCPQ-FQEVSTJZSA-N 471.466 2.458 30 10 JEEE COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCNC(C)=O)cc1 1862607549 RMDRXJWATJTMQZ-OAQYLSRUSA-N 452.463 2.181 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NC[C@H]2CCCO2)cn1Cc1ccc(O)cc1 1870547386 YGMRASFULUYOHA-HSZRJFAPSA-N 467.566 2.450 30 10 JEEE C=CCn1cc(OCC(=O)Nc2cccc(OC)c2)c(=O)cc1CN1CCC2(CC1)OCCO2 1870652056 QIPVKEAAIIJXMQ-UHFFFAOYSA-N 469.538 2.399 30 10 JEEE C=CCn1cc(OCC(=O)Nc2cc(Cl)ccc2OC)c(=O)cc1CN1CCN(C)CC1 1870702861 HQNFQXZYKQMNEH-UHFFFAOYSA-N 460.962 2.461 30 10 JEEE C=CCn1cc(OCC(=O)N(C)Cc2ccccc2)c(=O)cc1CNc1ccc(S(N)(=O)=O)cc1 1870942584 QHLDRYXIKCOKET-UHFFFAOYSA-N 496.589 2.331 30 10 JEEE O=[N+]([O-])c1cc2c(cc1/C=N/n1c(Cc3ccccc3[N+](=O)[O-])nnc1SCCO)OCCO2 1874298771 RJADZJSKNWIVON-CIAFOILYSA-N 486.466 2.423 30 10 JEEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)C3=NN(c4ccccc4)C(=O)CC3)CC2)CC1 1889537820 QMVCVRXGXUCYKE-UHFFFAOYSA-N 479.625 2.206 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2255751746 CFAOLYBXRFOHJC-RBZFPXEDSA-N 470.422 2.335 30 10 JEEE CC(C)(C)OC(=O)N1CCCCC[C@@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2256622557 IZIFBFGMYRYOIG-CYBMUJFWSA-N 452.386 2.377 30 10 JEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NCCC1(O)CN(C(=O)OC(C)(C)C)C1 2267136859 IQLGQQDRIZIZMB-UHFFFAOYSA-N 466.409 2.457 30 10 JEEE CC(C)(C)OC(=O)NCCCC[S@@](C)(=O)=NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2267147969 YHKMYSMGYKFQSK-JGCGQSQUSA-N 470.401 2.252 30 10 JEEE CN(CC1CN(C(=O)OC(C)(C)C)C1)S(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2267370570 NNEABOOAQLSOBW-UHFFFAOYSA-N 466.409 2.473 30 10 JEEE CC1(C)OB(c2csc(S(=O)(=O)N3CCN(Cc4ccccc4)[C@H](C#N)C3)c2)OC1(C)C 2267371452 ARDLLOWIPMHVTQ-LJQANCHMSA-N 473.429 2.446 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](NS(=O)(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)CCO1 2267375129 CKDMLTKVWVEIMB-HNNXBMFYSA-N 468.381 2.205 30 10 JEEE CC(C)(C)OC(=O)N1CCCN(S(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CC1 2267702735 LBIOIHLEEJIIRY-UHFFFAOYSA-N 467.397 2.012 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CCO)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1F 2268710100 FXZVYBFUVFROHA-CQSZACIVSA-N 456.295 2.478 30 10 JEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CCNc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)C1 2280786011 TWPUOJUKJYCRAI-QGZVFWFLSA-N 481.424 2.217 30 10 JEEE Cn1ncc(C(=O)NC[C@@]23CC[C@@H]2CN(C(=O)OC(C)(C)C)C3)c1B1OC(C)(C)C(C)(C)O1 2281808608 DEQRRFOKJOGRPZ-IQMFZBJNSA-N 460.384 2.096 30 10 JEEE CC(C)[C@H]1[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)CCN1C(=O)OC(C)(C)C 2281969698 AQBXWHCTVZDKJM-YJBOKZPZSA-N 462.400 2.483 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](O)CN1C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2281995743 HAPBPAQKSLLVLW-CABCVRRESA-N 481.786 2.134 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCC[C@H]1CNC(=O)OC(C)(C)C 2282001205 YATHHDTXEWUQKD-JKSUJKDBSA-N 462.400 2.451 30 10 JEEE Cc1nc(C(=O)NC[C@@H]2CN(C)CCN2Cc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)s1 2282018019 RMGJQTLCMGKXBE-LJQANCHMSA-N 470.448 2.297 30 10 JEEE COc1ccc(S(=O)(=O)N[C@@H]2C[C@H]2CNC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2282492861 QWQOOMOLYUCJBE-WMLDXEAASA-N 482.408 2.186 30 10 JEEE CC(C)(C)OC(=O)N1CC(F)(CNS(=O)(=O)c2ccc(F)c(B3OC(C)(C)C(C)(C)O3)c2)C1 2282513072 XOXBTDOEDPBBFO-UHFFFAOYSA-N 488.362 2.362 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](OCCNC(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)C1 2282520342 QGLHYBTWCDXZIV-INIZCTEOSA-N 461.368 2.137 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C12CCC2 2283067485 DHBYRTHJGKSUJP-LSDHHAIUSA-N 458.368 2.342 30 10 JEEE CO[C@@H]1C[C@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)c(C)n2)N(C(=O)OC(C)(C)C)C1 2283948738 QKBWLMDVGKNGTH-GDBMZVCRSA-N 462.356 2.047 30 10 JEEE CN(C[C@@]1(O)CCCN(Cc2ccccc2)C1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2286419965 RHCNRFDYLDZRGP-VWLOTQADSA-N 453.392 2.413 30 10 JEEE CC#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 2337795802 NKCRKSJIWPUKDH-HLNWXESRSA-N 465.591 2.227 30 10 JEEE CC(C)(C)OC(=O)NCC[C@H](O)C(=O)Nc1cc(F)c(F)cc1B1OC(C)(C)C(C)(C)O1 2351773126 IUVMIBSFNWOBQS-INIZCTEOSA-N 456.295 2.478 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1CCc2scc(B3OC(C)(C)C(C)(C)O3)c2C1 2361640445 SDDQZMHCIBOAKF-RHSMWYFYSA-N 478.420 2.302 30 10 JEEE C[C@H]1CCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)[C@@H](CNC(=O)OC(C)(C)C)C1 2362357020 LCVNBCHEMGAQGH-JKSUJKDBSA-N 462.400 2.485 30 10 JEEE COC(=O)c1ccc(/C=N/Nc2nnc(SCC(=O)Nc3c(F)cccc3F)n2N)cc1 20806112 ZXVDXRYMBPXRAA-NUGSKGIGSA-N 461.454 2.234 30 10 JEEE COc1ccc(CCNC(=O)CSc2n[nH]c(N/N=C/c3c(C)nn(C)c3C)n2)cc1OC 59309943 LAEULIBBWFOQPK-FOKLQQMPSA-N 472.575 2.069 30 10 JEEE Cc1ccc(/C=C\S(=O)(=O)NCC(=O)OCC(=O)Nc2sc3c(c2C#N)CCC3)cc1 96448505 ZGSYZAKNNPKMIX-KTKRTIGZSA-N 459.549 2.489 30 10 JEEE COc1ccc(C(=O)/N=C2/S[C@H]3CS(=O)(=O)C[C@H]3N2c2ccc3c(c2)OCCO3)cc1 102705099 WAEXPAPVNSYIEA-AQJJMAKXSA-N 460.533 2.382 30 10 JEEE N#Cc1cnn(-c2ccccn2)c1NC(=O)CN1C(=O)c2ccc(Br)cc2C1=O 170498122 JYQUMIXRJUMTNT-UHFFFAOYSA-N 451.240 2.136 30 10 JEEE CCOCCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2cc([N+](=O)[O-])ccc2Cl)c1=O 725764536 XDGUCCQQNJVKBS-UHFFFAOYSA-N 490.969 2.070 30 10 JEEE CC(C)Oc1ccc(-n2c(=C(C#N)C(=O)N3CCCC3)sc(=Cc3cnn4ccccc34)c2=O)cc1 729672229 CQUMCZXFGGVANH-UHFFFAOYSA-N 499.596 2.459 30 10 JEEE CC#CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](CN(C)C)C(=O)O 757214612 WDKGJBVVQKWTBW-DHIUTWEWSA-N 463.534 2.438 30 10 JEEE C#CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NO[C@@H](COC)C(=O)O 757457333 QNCYAPBAUWFPHG-RTWAWAEBSA-N 452.463 2.064 30 10 JEEE C=C1C(=O)O[C@@H]2C=C(C)[C@@H](OC(C)=O)CC=C(COC(C)=O)C[C@H](OC(=O)/C(C)=C\CO)[C@@H]12 1083803593 HPWMABTYJYZFLK-DOSCBKDFSA-N 462.495 2.096 30 10 JEEE COc1cc(C=NNc2nnc(SCC(=O)NCc3ccc(F)cc3)n2N)cc(OC)c1OC 1084562665 HTJDBXNDTMQJJG-UHFFFAOYSA-N 489.533 2.011 30 10 JEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(CC(=O)N(C)C3CCCCC3)CC2)c1 1136622477 KDYIDHSJSRVKMK-UHFFFAOYSA-N 459.612 2.033 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1Cc1cccc(CS(C)(=O)=O)c1 1286288026 FMTDNZBZNIRNKJ-OAHLLOKOSA-N 455.540 2.057 30 10 JEEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1286357954 DYTCFYLEHXRBRL-KZNAEPCWSA-N 454.579 2.142 30 10 JEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CCNC(=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1286385632 YATLJAVYHSQARQ-SFHVURJKSA-N 478.018 2.388 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1CCCc1c[nH]nc1C)[C@H]1CCS(=O)(=O)C1 1286388328 NJTBPBVBEWZMFN-FQEVSTJZSA-N 498.609 2.253 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccccn3)n2CCc2ccc(OC)c(OC)c2OC)CC1 1286475547 BNQYPMJRFQJNTA-UHFFFAOYSA-N 462.554 2.364 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CCN(C)Cc2ccccc2)CC1 1286490551 XRRGDKLFXHCTDY-UHFFFAOYSA-N 457.582 2.438 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2ccc(N3CCC(CO)CC3)cc2)CC1 1286492872 QKSAGGXOIXEPQM-UHFFFAOYSA-N 494.640 2.037 30 10 JEEE C=C(Br)Cn1c(N2CCC[C@H](n3cncn3)C2)nnc1[C@@]1(OCC)CCOC1 1286549099 SRLDGMUVWCLEGE-MAUKXSAKSA-N 452.357 2.272 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2cc(Br)cn2C)n1CCS(=O)(=O)N(C)C 1286570066 LPOSQKZUVOESCP-UHFFFAOYSA-N 459.414 2.340 30 10 JEEE C=C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCc2ccc(S(N)(=O)=O)cc2)CC1 1286650841 YOOLMPPHMYGQLC-ICSRJNTNSA-N 461.588 2.049 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1286666642 CSSPDWJCMGVPOJ-QGZVFWFLSA-N 472.619 2.084 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)C[C@H]1CCCO1 1286672052 FZIWEGLJCZZFEJ-QZTJIDSGSA-N 455.625 2.219 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2ccc(F)cc2)CCOCC1 1286727279 OMIWFQZUHZZKNU-FQEVSTJZSA-N 493.605 2.121 30 10 JEEE C=CCn1c(N2CCN(C(=O)Cc3cccc(OC)c3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1286777595 HTQFCNLXWNBMEM-RUZDIDTESA-N 469.586 2.405 30 10 JEEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1 1286792885 KSYOMGZGVAYGNR-MRXNPFEDSA-N 450.584 2.246 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3C)n2CCS(=O)(=O)N2CCSCC2)C1 1286806623 WGCQSKXFDNICHF-IBGZPJMESA-N 477.656 2.413 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2CCOc2ccc(S(C)(=O)=O)cc2)C1 1286810731 VDQGJXLLFDIOMI-PKOBYXMFSA-N 462.572 2.046 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1286816641 KNHZBQMFKQXUKK-CABCVRRESA-N 475.036 2.457 30 10 JEEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1286834695 KNEGZJLHFZYXTC-UHFFFAOYSA-N 474.553 2.215 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccc(OC(F)(F)F)cc1 1288825488 GHMSMLFEQMLVOP-SJKOYZFVSA-N 476.456 2.277 30 10 JEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(=O)c2ccco2)CC1 1300391512 PJUITOFQUIOXIA-UHFFFAOYSA-N 467.551 2.317 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2Cl)n1CCNC(=O)C1CC1)[C@H]1CCS(=O)(=O)C1 1300489300 LTJQXHTXYINWJY-INIZCTEOSA-N 496.420 2.405 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CC[C@@](C)(O)c2ccccc2)CC1 1300726521 PFDASPJMSGNWEK-QFQXNSOFSA-N 465.598 2.436 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(Cl)c2c(c1)OCCO2 1300780216 MNVCYCPOLYUJSD-SPLOXXLWSA-N 479.990 2.353 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1300891557 ZKTRXCLTVOEYEH-RRPUWOKSSA-N 457.550 2.331 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1300892511 TWPBPSNUUFPVNG-DXIQSLLYSA-N 471.583 2.333 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2c(n1)CCCC2 1301406464 XAKRXGKBIWMRCU-NRFANRHFSA-N 472.615 2.112 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1301480604 BJHSUDINXVFIDX-GOSISDBHSA-N 490.543 2.453 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1301587764 SNOSQVXGVOLDHZ-CTNGQTDRSA-N 460.600 2.484 30 10 JEEE CC(C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1302370026 AACSEIGNGSDILN-UHFFFAOYSA-N 480.491 2.395 30 10 JEEE CC(C)NC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1303453352 DXHPHTMWJMFWMM-MRXNPFEDSA-N 452.437 2.021 30 10 JEEE C=CCN(CC(=O)Nc1nc(-c2cc(OC)ccc2OC)cs1)[C@H]1CCS(=O)(=O)C1 1307537346 CPXUFYKTGJVWBZ-AWEZNQCLSA-N 451.570 2.441 30 10 JEEE COCCN(CC(C)C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1316083954 AKZVFIJQIDTLPQ-HXUWFJFHSA-N 460.604 2.350 30 10 JEEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1358906864 WBRIVNXOPPXZIG-QHCPKHFHSA-N 486.598 2.030 30 10 JEEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CC(F)F)CC1 1358930408 UYVZCWCUZBSLRU-QGZVFWFLSA-N 468.549 2.387 30 10 JEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCOc1ccccc1C(C)C)[C@@H]1CCS(=O)(=O)C1 1358955550 OCUVYKGBVNBGIQ-HXUWFJFHSA-N 499.637 2.343 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCCOC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1358962525 RGDIQEMSPYEXMO-LSDHHAIUSA-N 450.483 2.073 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@@](O)(c2ccccc2)C(F)(F)F)CC1 1359043917 NTZXWWWCYPMIJZ-HSZRJFAPSA-N 499.497 2.151 30 10 JEEE C=C(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(CC(=O)Nc2cccc(C)c2C)CC1 1359116951 OUFYCBFQKFTZEF-UHFFFAOYSA-N 453.591 2.370 30 10 JEEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C(=O)N2CCCC2)CC1 1359126651 UVMOOYYLTMWINC-UHFFFAOYSA-N 467.574 2.357 30 10 JEEE C=CCn1c(N2CCN(S(=O)(=O)c3ccccc3C)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1359290581 IKUMCTXSXROISX-HSZRJFAPSA-N 475.615 2.324 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCN(CC(F)(F)F)CC1 1359304013 IIJYSBNORFTEKV-UHFFFAOYSA-N 466.508 2.460 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N(C)Cc1ccccc1O 1359333627 DPYCHXRHJXQVBE-UHFFFAOYSA-N 466.567 2.459 30 10 JEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](CC)[C@H](c2ccc(C)cc2)n2cncn2)cc1 1446277983 NAEFGIREBPNABK-VXKWHMMOSA-N 451.552 2.296 30 10 JEEE CCn1nc(-c2nnc(N(C)[C@H](C)CC#N)n2C[C@H]2CCCS(=O)(=O)C2)c2ccccc2c1=O 1502360015 HRLZWKDPZOKJEG-IAGOWNOFSA-N 483.598 2.238 30 10 JEEE C#CCCCn1c(CCOc2ccccc2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1507593649 SFBDFCWAOOSUAI-UHFFFAOYSA-N 459.554 2.134 30 10 JEEE C#CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1cccc(OCC(N)=O)c1 1507618711 CSGUKAXJHYQBFB-IBGZPJMESA-N 468.558 2.332 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CCc1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 1507623543 UDNUFGIKGKWTMP-OAQYLSRUSA-N 471.627 2.374 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCC[C@@H]1OC)[C@@H]1CCS(=O)(=O)C1 1507634417 KHEUWBQNMNUTDF-UHOSZYNNSA-N 463.629 2.076 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)s3)n2CC2(O)CC(OCC)C2)CC1 1507721514 UTIBFPAZFITPIP-UHFFFAOYSA-N 480.432 2.454 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc4cccnc34)n2C[C@H](F)COC)CC1 1507734902 CKBDHQLQRXNYTG-IBGZPJMESA-N 450.518 2.444 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2CCC(=O)N2CCCCC2)CC1 1507739757 KIYGTJCXWHBNAL-UHFFFAOYSA-N 468.627 2.299 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCN(C)Cc2ccc(F)cc2)CC1 1507740820 FVJLTVMDCMYOPY-JOCHJYFZSA-N 468.577 2.367 30 10 JEEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1507745538 ZSXHBMICEBZXLK-ZDUSSCGKSA-N 458.407 2.025 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1507786370 WXJZPHPNAUESKR-RTBURBONSA-N 489.418 2.429 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1507792158 WZDZJSVWMSOEFY-ZCNNSNEGSA-N 460.623 2.386 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CC[C@@](C)(CC)O2)CC1 1507901781 GAJQVZNWYSZHNW-CNNODRBYSA-N 467.636 2.361 30 10 JEEE C=CCC(C)(C)Cn1c(-c2ccccc2F)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1507911216 DJLSSSMBELCGGH-UHFFFAOYSA-N 482.564 2.153 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1508008330 NFPYMPHKYPWSSL-IAGOWNOFSA-N 451.618 2.318 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1508077620 ZHPICTSBQBJAFP-SLFFLAALSA-N 466.586 2.394 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1508137661 PIUHXFDQIURWKZ-KRWDZBQOSA-N 458.563 2.488 30 10 JEEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCn2c(nnc2-c2ccccc2)C1 1508153322 XVKPVFHEOQHVEZ-INIZCTEOSA-N 488.643 2.086 30 10 JEEE CC(=O)N1CC[C@@H](CN(C)c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2OCC[C@H]2C)C1 1508204395 UACMHCHLCSYARX-PIPMEXSNSA-N 452.559 2.458 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCNC(=O)c1ccccc1F 1539010716 BUVBLRWEKWSLJG-GOSISDBHSA-N 476.560 2.479 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CCc1ccccc1C)[C@@H]1CCS(=O)(=O)C1 1539205691 JHBJKNBFYYUNJW-RDGATRHJSA-N 486.638 2.497 30 10 JEEE C#CCN(CC)c1nnc(-c2cnn(C)c2)n1C[C@@H]1C[C@@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1539363921 YCIYSFMTOJTNSL-NZSAHSFTSA-N 455.563 2.163 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCN2CCOC[C@H]2C)CC1 1539474347 PGGRMEPFIVCTLP-GOSISDBHSA-N 471.005 2.285 30 10 JEEE C#CCSCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1539496482 GNCDFWSFUKNVCB-MRXNPFEDSA-N 486.573 2.444 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N(C)CCNS(=O)(=O)c1ccc(C)cc1 1539626196 BNXGQLXVYPVTCB-DENIHFKCSA-N 497.625 2.439 30 10 JEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 1539757817 ABAJYZYRRXRIHW-UHFFFAOYSA-N 470.549 2.095 30 10 JEEE C=C(Cl)Cn1c(-c2cc(Br)cn2C)nnc1N(C)CC(=O)N1CCOCC1 1539778894 JPVUHCLOXGGFHQ-UHFFFAOYSA-N 457.760 2.094 30 10 JEEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC2(CC1)OC(=O)NC21CCC1 1539952818 KCKCFKGIAVGGEO-MRXNPFEDSA-N 466.608 2.246 30 10 JEEE C=CCCOCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1540019243 FBHLDMUCHULTLS-IBGZPJMESA-N 461.588 2.363 30 10 JEEE C=CCCOCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1540019997 PJMSPQJSAFGUHO-PKOBYXMFSA-N 472.977 2.169 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1540863691 BUJUIXPCLWBMJG-KRWDZBQOSA-N 496.431 2.413 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CC[C@](C)(C(N)=O)C1 1540863900 IVOUXRMHOXTZNX-VWLOTQADSA-N 461.570 2.357 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC(OC[C@H]2CCCCO2)CC1 1540873447 YDSLCKTXJUNIME-OAQYLSRUSA-N 454.575 2.121 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCC(CN2CCOCC2)CC1 1540874578 LSTVGGPIMSMWCS-UHFFFAOYSA-N 468.602 2.016 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](C2CC2)O[C@H](C)C1 1540898529 MYLWVMVMMPINJW-DNVCBOLYSA-N 461.544 2.458 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1540907499 YQJICOPNOSSHOY-OAQYLSRUSA-N 484.626 2.251 30 10 JEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1540916716 FIMULNLHUDRQNX-IBGZPJMESA-N 481.688 2.328 30 10 JEEE CC(C)(C)[S@](=O)CCn1c(Cc2ccncc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1541234495 FNQBSUKYKHIZHF-UUWRZZSWSA-N 478.626 2.404 30 10 JEEE C[C@@H](CN1CCCC1)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(C#N)cc1 1541872685 BFVVFYFQCALCDI-RXVVDRJESA-N 456.616 2.420 30 10 JEEE C=CCNS(=O)(=O)c1cccc(C(=O)Nc2cccc(S(=O)(=O)N[C@@H](C)CC)c2)c1 1545455123 KDUXBGDXFWTKBG-HNNXBMFYSA-N 451.570 2.480 30 10 JEEE CCS(=O)(=O)N1CCC2(CC1)C[C@H](C(=O)NC)N(c1ccc(C#N)c(C(F)(F)F)c1)C2 1548380241 QYRWHPCRHBTASR-QGZVFWFLSA-N 458.506 2.334 30 10 JEEE CC(=O)c1cccc(S(=O)(=O)NCC(=O)N[C@@H](C#N)c2ccc(OC(F)(F)F)cc2)c1 1566181326 UYMGNKOXJCWEJA-KRWDZBQOSA-N 455.414 2.447 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@H](C)SC)[C@@H]1CCS(=O)(=O)C1 1588034778 LUSATGVFYFRMJT-GXTWGEPZSA-N 472.434 2.414 30 10 JEEE C#CCN(c1nnc(-c2ccccc2F)n1CCNC(=O)c1cccs1)[C@@H]1CCS(=O)(=O)C1 1588045471 LNXBCONDKWMCGJ-MRXNPFEDSA-N 487.582 2.202 30 10 JEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@]1(O)CCCC1(C)C 1588124459 MOINEXSUQKPESV-QHCPKHFHSA-N 454.600 2.252 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H](C)N1CCN(CC)CC1 1588200048 ARQPSSVLDHGFMH-OAQYLSRUSA-N 464.614 2.451 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1588219173 NZTOUIZQSKDQAC-IBGZPJMESA-N 478.578 2.345 30 10 JEEE C#CCN1CCN(c2nnc(-c3cnccn3)n2C[C@@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)CC1 1588806216 JTUMTWVXWDIZJV-UYAOXDASSA-N 466.590 2.136 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCC(C)(C)O)CC1 1588899328 OIKLHBHVUIBPAG-UHFFFAOYSA-N 455.559 2.089 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCN2CCOC2=O)CC1 1588968463 MEACCYUQSGHJAP-WOJBJXKFSA-N 486.617 2.005 30 10 JEEE C=C(C)COCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1593717505 GRTXWOGGDKHQQR-JOCHJYFZSA-N 468.602 2.289 30 10 JEEE C=CCCOCCn1c(-c2cccc(OC)c2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1594788634 QLANXMNLSXTFJQ-FQEVSTJZSA-N 468.558 2.313 30 10 JEEE C=CCn1c(COc2ccccc2OCC)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1595446940 BAGDCNCMGAZPHN-LJQANCHMSA-N 454.575 2.185 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H]2CCOC2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1595659002 QFOKFLHYKVULOJ-HXUWFJFHSA-N 475.615 2.161 30 10 JEEE C#CC[C@@H](COC)NC(=O)c1cccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1 1595817131 INSCMTUETOMIPS-FQEVSTJZSA-N 459.543 2.105 30 10 JEEE C=CCSCCn1c(-c2ccccc2OC)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1595859980 FIIHKQFDTWJKLU-MRXNPFEDSA-N 468.587 2.405 30 10 JEEE C#CCN(CC(=O)N[C@@H]1CC2(CN(C(=O)OC(C)(C)C)C2)n2ccnc21)C(=O)OC(C)(C)C 1597508861 DJCUEFCXMUDNLA-MRXNPFEDSA-N 459.547 2.260 30 10 JEEE CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCc1ccc(S(C)(=O)=O)cc1 1616913635 HEDWCPNSRGCAMC-UHFFFAOYSA-N 495.609 2.054 30 10 JEEE Cc1cc(F)cc(C#N)c1S(=O)(=O)NCC1CCN(S(=O)(=O)c2ccccc2)CC1 1621708282 ANADCXFGVRZJDX-UHFFFAOYSA-N 451.545 2.385 30 10 JEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@H]1CCCCN1C(=O)OC(C)(C)C 1627139094 FJURNCIOWSDYON-NVXWUHKLSA-N 450.561 2.131 30 10 JEEE Cc1ccc(C(=O)N2CCN(c3ccc(C#N)nc3)CC2)cc1S(=O)(=O)NC1CCCC1 1633929256 BHVJYSVWDJMSAU-UHFFFAOYSA-N 453.568 2.445 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1cccc(NS(=O)(=O)c2ccc3nnn(O)c3c2)c1 1648749976 IBXRVCQYVBHCHU-FOIQADDNSA-N 457.512 2.180 30 10 JEEE C=CCN1CCC(NC(=O)N2CCN(c3cnn(-c4ccccc4)c(=O)c3Cl)CC2)CC1 1678391958 XSGTUZXBJDYVMA-UHFFFAOYSA-N 456.978 2.368 30 10 JEEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(C(=O)NCCC)CC1 1689924795 UNBOGKGSTODDNJ-UHFFFAOYSA-N 471.631 2.394 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@H](C)N(C)C1CC1)[C@H]1CCS(=O)(=O)C1 1689982012 GDUGZMDRHRSFSW-PXNSSMCTSA-N 457.600 2.063 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2Cc2ccnc(SC)c2)CC1 1690150587 NDCILLFNIXXXGR-UHFFFAOYSA-N 461.595 2.395 30 10 JEEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 1690172967 SHAAARUOGJSSDF-UYAOXDASSA-N 481.688 2.369 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccccc2F)nnc1N(C)CC(=O)N1CCOCC1 1690248188 LJXYRCJMPVSLDJ-AUSIDOKSSA-N 457.550 2.284 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1690250231 FBWNMBWTLVHPLW-RDGATRHJSA-N 498.676 2.111 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C(CC)CC)N(C)C)CC1 1690375221 DECAEODHNPUUDE-WOJBJXKFSA-N 468.668 2.134 30 10 JEEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1690473591 AGGQTPAWJLSCLC-SIKLNZKXSA-N 488.658 2.319 30 10 JEEE C=CCN(C)c1nnc(-c2cc(Br)cn2C)n1CCN/C(O)=C1/N=CC=CC1=O 1690517822 QMAQOFYLLNBGBT-VLGSPTGOSA-N 460.336 2.195 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[C@](C)(O)c2ccccc2)C1 1690700330 QRWGEKOCJWQSIM-NOXFTYBFSA-N 460.600 2.259 30 10 JEEE CCOc1ncccc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1696174565 AUTYNYBKBJAODI-LJQANCHMSA-N 495.609 2.424 30 10 JEEE COc1ccccc1SCc1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CCCN1CCCO 1697627679 CZNOFFUUYNZDTK-RBUKOAKNSA-N 472.615 2.155 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCc1cccnc1)[C@H]1CCS(=O)(=O)C1 1705562476 CXCUWSMWRAMJPT-SFHVURJKSA-N 456.959 2.258 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1cc(Cl)ccc1OC)[C@H]1CCS(=O)(=O)C1 1705565330 GVFZEPCSMOXTBX-SFHVURJKSA-N 474.974 2.016 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1705575185 YKBFMYYGPDODTF-LJQANCHMSA-N 462.579 2.156 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cnc(C)s1 1705582550 DDBBXRHOTAJIEF-GOSISDBHSA-N 456.572 2.473 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CC(=O)Nc2ccc(F)cc2)CC1 1705650318 OUVCYFKMNWXSDZ-UHFFFAOYSA-N 495.584 2.377 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@@H]2CSCCS2)CC1 1705650546 ULHUGIZYEBRMAW-LJQANCHMSA-N 456.641 2.078 30 10 JEEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1705656557 BFPNSIDUUZYHNK-INIZCTEOSA-N 464.613 2.342 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(Br)n1 1705716378 JDIDBSGLENXMQM-INIZCTEOSA-N 499.435 2.219 30 10 JEEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1705727258 QGKOBCGRLDAKDG-MRXNPFEDSA-N 468.587 2.243 30 10 JEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1705729439 YGASZDNDIQBFKI-UHFFFAOYSA-N 458.607 2.336 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCN(Cc2nc(O)c3ccccc3n2)CC1 1705930925 ZCEAQZRHPNXTJQ-SFHVURJKSA-N 499.641 2.363 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@@]1(O)CCSC1 1708753941 CSYXTORRPGKDTD-VWLOTQADSA-N 497.669 2.258 30 10 JEEE COCC[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCS(=O)(=O)C2)C1 1712354763 HYYKSLMODJUCGH-WOJBJXKFSA-N 473.599 2.416 30 10 JEEE N#Cc1ccc(OCc2nnc(N3CCC[C@@H](N4CCCC4)C3)n2CC(=O)NCC(F)F)cc1 1712880214 BFOJGTNENYVMOW-GOSISDBHSA-N 473.528 2.175 30 10 JEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CC(C)(C)C(=O)NCC)[C@@H]1CCS(=O)(=O)C1 1722358420 BMOJIPBWPWHEFP-GOSISDBHSA-N 478.018 2.388 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCCCCCO)CC1 1722447785 PGYQODIESOGNMD-JOCHJYFZSA-N 467.570 2.309 30 10 JEEE C#CCSCCn1c(-c2cccc(Br)c2)nnc1N1CCN2C(=O)NC[C@H]2C1 1722451727 GXKJNLISJXUNFC-INIZCTEOSA-N 461.389 2.288 30 10 JEEE C#CCSCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN2CCOC[C@@H]2C1 1722459585 NPDAHAUBQXMDHX-PMACEKPBSA-N 490.674 2.280 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1722491488 LOOBCRJCEJYLPX-YRXWBPOGSA-N 467.636 2.001 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1722519370 CYQJRYODYIGOQN-FQEVSTJZSA-N 471.587 2.083 30 10 JEEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCN(Cc2noc(C)n2)CC1 1722559029 IJRDHPSAXDCLPD-WMZOPIPTSA-N 451.959 2.158 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](NC(C)=O)C1 1722723833 GPQPMLMBVABVKJ-GOSISDBHSA-N 451.980 2.304 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCN(CC2CCOCC2)CC1 1722730646 YIDNTQYHHKPEOQ-UHFFFAOYSA-N 465.664 2.160 30 10 JEEE CC(=O)N1CC[C@@H](CN(C)c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CC=CCO2)C1 1722760040 MXJDSKJULLDTBO-RBBKRZOGSA-N 450.543 2.378 30 10 JEEE C[C@H](CC#N)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCc1cnn(C)c1 1723770637 AQJGPNRBANCRNJ-QGZVFWFLSA-N 470.603 2.300 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H](c1ccccc1)N1CCCC1 1723933229 DMUPTAQTBXHNPA-JLMWRMLUSA-N 475.594 2.167 30 10 JEEE CO[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc(F)c2C#N)CC1)C(C)C 1729885250 DNGWHXUXZITXKD-DYESRHJHSA-N 490.605 2.189 30 10 JEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1740573275 ASPYHODSCKJEOU-RTWAWAEBSA-N 453.568 2.433 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1740619904 MOWBUMYYMJQOKR-OAQYLSRUSA-N 453.568 2.260 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1CCCN1CCN(c2ccccc2)CC1 1740652645 IELSTZGXWUJJNS-UHFFFAOYSA-N 456.598 2.354 30 10 JEEE C#CCSCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1740718524 PYQRQNYOSYNILK-UUOWRZLLSA-N 488.658 2.475 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(CC(F)(F)F)CC1 1740763230 ZRKVACMUNOEDSS-SQNIBIBYSA-N 491.580 2.236 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(S(C)(=O)=O)CC1 1740816337 CVNRNQDYANEADB-HNNXBMFYSA-N 475.015 2.184 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](Cc2ccc(F)cc2)C1 1740951066 BTJVZWTWQQEDQJ-GOSISDBHSA-N 463.517 2.436 30 10 JEEE C[C@H]1SCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(C(N)=O)CCOCC2)[C@@H]1C 1743396184 AABUDYXYQAUHLI-IAGOWNOFSA-N 470.599 2.341 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2C[C@H]2CCCCN2CC)c1 1748694973 WFGQAHTYCJJTSO-JOCHJYFZSA-N 477.613 2.331 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2CC(C)(C)N2CCOCC2)c1 1748695156 YWTAYIBCXYSTHC-UHFFFAOYSA-N 487.608 2.431 30 10 JEEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1748702713 BIOFPUBLNDIHRJ-GOSISDBHSA-N 464.613 2.166 30 10 JEEE C#CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1748803311 RMAIVMSXUBQQJZ-YSTOQKLRSA-N 463.648 2.470 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCN1CCN(C)C(C)(C)C1 1748831253 IHYJZDXWARILGI-UHFFFAOYSA-N 480.613 2.070 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1748984869 ULPHFCMTJHOQGY-OAQYLSRUSA-N 480.613 2.366 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H](C2CC2)N(C)C)CC1 1749003596 OJTCDIFKUTXXIS-HSZRJFAPSA-N 480.613 2.268 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H]2CCCN2CCCO)CC1 1749006246 LAPPFURDZWQUHM-QFIPXVFZSA-N 485.032 2.411 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCCCNC(=O)OC(C)(C)C)CC1 1749008806 BRPUDVZSJVGDHD-FQEVSTJZSA-N 488.633 2.443 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CC(F)(F)Br)CC1 1749010939 SLRVTKCDFDSUNV-UHFFFAOYSA-N 455.307 2.237 30 10 JEEE C=C(Br)Cn1c(N2CCN(c3cnccn3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1749113058 TYDANPNSRROHJD-FQEVSTJZSA-N 478.395 2.344 30 10 JEEE C=CCN(c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCNC(=O)C1CC1)C1CC1 1749519369 KEESFANEDKLBMH-SFHVURJKSA-N 460.579 2.268 30 10 JEEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ncc(Cl)cc2Cl)CC1 1749606092 HWNPBFSQJFGWBJ-GFCCVEGCSA-N 460.391 2.103 30 10 JEEE C=CCOc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@H](CC)C2)cc1 1749686173 PFUKAEOSWIACLY-WIYYLYMNSA-N 475.615 2.460 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1749727478 VNOWUVLKMAHEPC-UHFFFAOYSA-N 483.554 2.176 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@@H](C)[C@H](C)C1 1749734717 LIMPLLULBNXLEB-QZTJIDSGSA-N 459.620 2.145 30 10 JEEE CS(=O)(=O)NC[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCC=CO2)C1 1750214184 HTSIBMNYZVKJRP-FPOVZHCZSA-N 486.598 2.187 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H]1CCCN1CC)[C@@H]1CCS(=O)(=O)C1 1760183565 RJVWABLEYKPHEV-FGZHOGPDSA-N 498.653 2.258 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H](C)Oc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1760189306 UDBCLEYHPWGJDG-LMMKCTJWSA-N 462.547 2.015 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@H]1CC=CCO1)[C@H]1CCS(=O)(=O)C1 1760192703 WXPAXRUMECDLLW-PZJWPPBQSA-N 456.568 2.137 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1Cc1ccc(C)cc1N1CCOCC1 1760193772 QFQPYXLJSUYMKV-UHFFFAOYSA-N 462.598 2.463 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCN2CCC(C)CC2)CC1 1760256799 SZXYQBTZCRZFBV-UHFFFAOYSA-N 452.603 2.449 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CC(=O)N(C)Cc2ccccc2)CC1 1760269516 KMRFKLZWTUUTQR-UHFFFAOYSA-N 464.614 2.491 30 10 JEEE C#CCSCCn1c(-c2ccc(F)cc2Br)nnc1N(C)CCNS(C)(=O)=O 1760276839 QXFNPUSLPFVUJD-UHFFFAOYSA-N 490.424 2.199 30 10 JEEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CCCN(C(=O)C(C)C)CC1 1760299629 BLDGBZOFRRKEFY-UHFFFAOYSA-N 453.385 2.117 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(COC)CC1 1760412102 IEHWGLHRZZKTGY-SFHVURJKSA-N 455.625 2.076 30 10 JEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C)c2ccccc2C1 1760427527 COCXDPKKEFUSIK-NRFANRHFSA-N 474.631 2.424 30 10 JEEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@@H](C)c2nc(CC)no2)CC1 1760427557 DBVXRWWIVROEQI-ZWKOTPCHSA-N 477.635 2.365 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@H](c2ccnn2C)C1 1760518057 HDQXHHPEIOCMJF-SFHVURJKSA-N 465.558 2.382 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1760555181 ZIKNTFJUTVRCTJ-SFHVURJKSA-N 477.606 2.302 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C2CCCC2)CC1 1760557640 SIEPMWNDKINYBE-UHFFFAOYSA-N 484.626 2.394 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(OC)cc2)nnc1N1CCOC(C)(C)C1 1760558080 FTHNFDJBRXVMPE-UHFFFAOYSA-N 450.561 2.082 30 10 JEEE C[C@H]1CN(CCCn2c(-c3cc(Br)c[nH]3)nnc2N2CCO[C@@H](C#N)C2)C[C@@H](C)O1 1763197964 HNCGSHFUXMMCMA-UXLLHSPISA-N 478.395 2.264 30 10 JEEE CCNC(=O)C(C)(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@@](C)(C#N)C1 1767173145 CMYLUVNUSMUXSL-QHCPKHFHSA-N 462.562 2.213 30 10 JEEE COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CCNC(C)=O)cc(Cl)c1O 1862634670 QWSZVQLYHMIHGG-IBGZPJMESA-N 488.880 2.497 30 10 JEEE CCOC(=O)N1CCN(Cc2cc(=O)c(OCc3ccc(C#N)cc3)cn2CCN(C)C)CC1 1870350105 QBHBWWMHCXRLLT-UHFFFAOYSA-N 467.570 2.135 30 10 JEEE C=CCn1cc(OCC(=O)Oc2ccc(CC)cc2)c(=O)cc1CN1CCC(C(N)=O)CC1 1870472599 DNCZSPDUCUCVGA-UHFFFAOYSA-N 453.539 2.278 30 10 JEEE CCOc1ccc(/C=N/Nc2cnn([C@H]3CCS(=O)(=O)C3)c(=O)c2Cl)cc1OCC 1873529122 NMRZSUSKCGBYNZ-MNUWJXFPSA-N 454.936 2.500 30 10 JEEE COc1cc(OC)c(OC)cc1/C=N/n1c(SCCO)nnc1[C@@H]1CC(=O)N(C(C)(C)C)C1 1874279524 CIUYZJSIGQIAST-AQXNZCSYSA-N 477.587 2.385 30 10 JEEE C[C@H]1C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COP(=O)(O)O 1933252271 RTGFWMCLUOVPAE-FISBFHOMSA-N 488.901 2.282 30 10 JEEE CC1(C)OB(c2ccsc2CNS(=O)(=O)N2CC(OCc3ccccc3)C2)OC1(C)C 2043684690 YEQIIVGTZYIYEX-UHFFFAOYSA-N 464.418 2.283 30 10 JEEE CC(C)(C#CC(=O)Nc1ccc(S(N)(=O)=O)cc1Br)NC(=O)OC(C)(C)C 2202913469 UTNHXNCMKRKNRL-UHFFFAOYSA-N 460.350 2.342 30 10 JEEE Cc1cnc(OC2(C(N)=O)CCN(C(=O)OC(C)(C)C)CC2)c(B2OC(C)(C)C(C)(C)O2)c1 2241087131 MTJMZVRCABJMSF-UHFFFAOYSA-N 461.368 2.323 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H]1NS(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2255950110 HOGQAYRIUZVPBX-IRXDYDNUSA-N 452.382 2.320 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)sc1CNC(=O)[C@H](CCO)NC(=O)OC(C)(C)C 2256675141 DVQBKLGLLJCSBG-AWEZNQCLSA-N 454.398 2.248 30 10 JEEE C[C@H](NC(=O)[C@H](CO)CNC(=O)OC(C)(C)C)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2256678893 RTSRIYFNVDOKPL-KBPBESRZSA-N 454.398 2.358 30 10 JEEE Cc1nc(S(=O)(=O)NC[C@H](C)COCc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)n1C 2267471366 HEYQZEKKIPYTCF-INIZCTEOSA-N 463.409 2.159 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)CCCO1 2267484612 HVPCBPTYAIFGQS-AWEZNQCLSA-N 467.397 2.198 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)CC[C@H]1CO 2267526579 UTDSFMBYNWDJDE-GOEBONIOSA-N 466.409 2.395 30 10 JEEE C[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2281981200 MQJMKSMKNDSHCO-HZPDHXFCSA-N 462.400 2.485 30 10 JEEE Cc1ccnc(C(=O)N[C@H]2COCCN(C(=O)OCc3ccccc3)C2)c1B1OC(C)(C)C(C)(C)O1 2282004905 JKAPWAIYZRZEFY-HXUWFJFHSA-N 495.385 2.457 30 10 JEEE CC(C)(C)OC(=O)NCCN(CC(F)(F)F)C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2282028579 GPPZQZXECOYOEC-UHFFFAOYSA-N 474.289 2.305 30 10 JEEE CC(C)(C)OC(=O)N1CCC12CC(CNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)C2 2282171070 FQWZKHRKPBPGSP-UHFFFAOYSA-N 458.368 2.295 30 10 JEEE COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)NN1CCN(C(=O)OC(C)(C)C)CC1 2282528444 RTSVCUREHYTKOD-UHFFFAOYSA-N 461.368 2.192 30 10 JEEE CC[C@@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CC[C@H]1NC(=O)OC(C)(C)C 2282533375 KLIREFLTTIPQJV-NVXWUHKLSA-N 462.400 2.485 30 10 JEEE C[C@@H]1CCCN(C(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)[C@@H]1CNC(=O)OC(C)(C)C 2282551537 KBTKHKOIQSXZCV-NVXWUHKLSA-N 462.400 2.485 30 10 JEEE C[C@H]1CCN(C(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1CNC(=O)OC(C)(C)C 2282551656 FJFPSLIGLFVXBL-HOTGVXAUSA-N 462.400 2.342 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC2CC1(CNC(=O)OC(C)(C)C)C2 2282592302 BBGUQZXHFKGRTC-UHFFFAOYSA-N 460.384 2.332 30 10 JEEE Cn1nc(C(=O)NC[C@H]2C[C@](F)(CNC(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2282621363 RCBQPAJVDBTMRM-XLOAEROZSA-N 466.363 2.092 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC1(COC)CN(C(=O)OC(C)(C)C)C1 2282676714 ODZARZSLHURUBS-UHFFFAOYSA-N 463.384 2.173 30 10 JEEE CC(C)(C)OC(=O)NCC1CC2(CCN2C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2282695938 VTBIMGKPJOKZNK-UHFFFAOYSA-N 458.368 2.295 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@H]1CN(Cc2ccccc2)C(C)(C)C1 2282854431 RIUJHECAQKLGLN-GOSISDBHSA-N 474.436 2.051 30 10 JEEE C[C@@H](c1nscc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)[C@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C 2283954857 BKMCPWRDYOFEIN-SQWLQELKSA-N 481.424 2.332 30 10 JEEE CN(Cc1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(=O)[C@H](CCC(N)=O)NC(=O)OC(C)(C)C 2284053253 MMGAHINYZZGZAX-INIZCTEOSA-N 481.424 2.165 30 10 JEEE Cc1cnc(C(=O)NCCN(CC(=O)O)Cc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)c1 2284469229 VZQZIZMTDGHSOB-UHFFFAOYSA-N 453.348 2.006 30 10 JEEE Cc1c(C(=O)N2C[C@H]3C[C@]3(CNC(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2288247407 MWFFULZHTYZKAZ-CMJOXMDJSA-N 460.384 2.015 30 10 JEEE C[C@H](C#CC(=O)NCC1(O)C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C 2318684957 HIRSTIBQLARUFD-DPRDUWLZSA-N 451.564 2.312 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)C2CC(B3OC(C)(C)C(C)(C)O3)C2)[C@H](CC(N)=O)C1 2343356435 VUOSNAKJFWRHSA-UYSNPLJNSA-N 451.373 2.182 30 10 JEEE Cc1scc(C(=O)NCC2(CO)CN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2343502715 RUQKYWSXNPYSKZ-UHFFFAOYSA-N 466.409 2.315 30 10 JEEE COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(OC)cc2)cc1 6239957 LFXCSCLVTRYACO-RKKARLDVSA-N 452.507 2.458 30 10 JEEE Cc1cc(C)nc(N/C(=N\C(=S)NCc2ccco2)N2CCN(c3ncccn3)CC2)n1 14160501 NSCHEPHPIJXDKC-UHFFFAOYSA-N 451.560 2.141 30 10 JEEE Cc1csc(NC(=O)CSc2nnc(N/N=C/c3cc(Br)ccc3O)n2N)n1 21319402 XHHXBGRURMWGHS-BLLMUTORSA-N 483.377 2.402 30 10 JEEE O=C(C[C@@H]1CSc2nc3c(c(=O)n21)CCC3)NCC#Cc1ccc(N2CCCCC2=O)cc1 96349207 WGXWGSYOXJHFGH-LJQANCHMSA-N 462.575 2.454 30 10 JEEE COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccco2)c(OC)c1 102756696 UKOINRJAUFSZAO-SADKCHQCSA-N 456.495 2.441 30 10 JEEE CCOc1ccc(/C=C/C(=O)[C@@H]2CNCC[C@H]2NC(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)cc1 585831552 VINNHEZUQXLIFA-JLAWRKAZSA-N 475.545 2.447 30 10 JEEE CNC(=O)C[C@@H]1SC(=Nc2ccc(C(N)=O)cc2)N(Cc2ccccc2-n2cccn2)C1=O 726401642 QWVYPLJWJXMRSZ-IBGZPJMESA-N 462.535 2.239 30 10 JEEE CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)n(CC)c2C)c(=O)n1Cc1ccccc1 728558025 WSGACFIIBXZOJV-UHFFFAOYSA-N 492.645 2.442 30 10 JEEE C#CCN(C(=O)c1ccc(NS(=O)(=O)/C=C\c2ccccc2)cc1)[C@H]1CCS(=O)(=O)C1 729331502 NXHHRTUMJDLICO-JQFUVSSDSA-N 458.561 2.362 30 10 JEEE CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1[C@H](C)c1ccccc1 729669956 YBGNUQWUKQISEB-GOSISDBHSA-N 471.586 2.442 30 10 JEEE CC#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@H](O)CC(=O)O 757203421 YETVNDVPHTUGTR-ZHRRBRCNSA-N 450.491 2.259 30 10 JEEE C#CCN(CC(=O)O)C(=O)C[C@@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)OC 757463750 MKCZPZMGUXCWRI-KRWDZBQOSA-N 450.491 2.477 30 10 JEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cnc(-c3ccccc3)nc2)c(=O)n1-c1ccccc1C#N 917798985 JJRJCRQGUQNYPO-UHFFFAOYSA-N 490.548 2.033 30 10 JEEE CC(C)Sc1nnc(NC(=O)CSc2nnc(NN=Cc3cccc(O)c3)n2N)s1 1084500050 PFGCPNMHOQWZHZ-UHFFFAOYSA-N 465.590 2.226 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)s1 1142161430 FROVGBGDFKNHCL-GOEBONIOSA-N 455.602 2.223 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCN1CCSCC1 1286287831 DUWDUMJPWYOAIO-KRWDZBQOSA-N 451.600 2.182 30 10 JEEE C#CCN(c1nnc(-c2cnn(-c3ccccc3)c2)n1CC(C)(C)COC)[C@@H]1CCS(=O)(=O)C1 1286389086 FPRTZYAXWBYTMX-OAQYLSRUSA-N 482.610 2.430 30 10 JEEE C#CCN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(N2CCOCC2)nc1 1286438514 ZQVZVRCPOHRKOY-XMMPIXPASA-N 454.575 2.058 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1C[C@@H](C(C)C)N1CCOCC1 1286459495 NKQFRKRVOIRDDB-FQEVSTJZSA-N 493.450 2.489 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@](C)(O)c2ccco2)CC1 1286486228 DIFAXZMSLABNTQ-RUZDIDTESA-N 463.538 2.420 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H](C)CN(C)C(=O)OC(C)(C)C)CC1 1286493297 NCMRIMRYKQGPFO-ICSRJNTNSA-N 488.633 2.251 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CC(O)(CC)CC)CC1 1286495038 XGQCTSNTCZASQD-NRFANRHFSA-N 467.570 2.308 30 10 JEEE C#CCSCCn1c(CCCc2ccccc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1286509176 WCVXAGBOTDUXIP-UHFFFAOYSA-N 461.657 2.292 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(CCNC(C)=O)Cc1ccsc1 1286552707 APMUTCVDVUYOFL-DYXWJJEUSA-N 472.615 2.415 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1286667665 SXCXGEVLYIEVFV-CQSZACIVSA-N 496.663 2.197 30 10 JEEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(CS(C)(=O)=O)CC1 1286726866 JNOYBXKIWDCHNY-MRXNPFEDSA-N 469.608 2.034 30 10 JEEE C=CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCNC(=O)c1cc[nH]n1)C1CC1 1286739212 SXAHNJSDCWYHCV-IYBDPMFKSA-N 470.578 2.357 30 10 JEEE C=CCN(CCOC)c1nnc(-c2cccc(Br)c2)n1C[C@]1(O)CCN(C)C1 1286764845 BXHXUQIZXNPXSZ-FQEVSTJZSA-N 450.381 2.413 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCCN(C(=O)C(C)C)CC1 1286817346 SWWSNERXIQLYEK-UHFFFAOYSA-N 475.615 2.249 30 10 JEEE CC(=O)N1CCC(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(N(C)C(C)=O)CC2)CC1 1286855924 DEBMZMJUFMCEAS-UHFFFAOYSA-N 493.612 2.434 30 10 JEEE CC(C)Cc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCCN1CCCCC1=O 1287468372 CKQQKYGUGLFYMO-UHFFFAOYSA-N 450.591 2.472 30 10 JEEE CCNC(=O)C1(Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@H](C)[C@H](C)S(C)(=O)=O)CCC1 1296259380 ICMIIXGVHSAPLI-SJORKVTESA-N 472.615 2.381 30 10 JEEE CN(C)C(=O)Nc1ccc(Cn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@@H](C#N)C2)cc1 1298018938 AKSMKMWUCRZRGS-SFHVURJKSA-N 494.581 2.140 30 10 JEEE CN(CCC(F)(F)F)c1nnc(COc2ccc(C#N)cc2)n1CCN1CCCS1(=O)=O 1298601233 DFPUZKQXUWZCIA-UHFFFAOYSA-N 472.493 2.153 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(F)cc2Br)n1CCCn1cc(CO)nn1 1300286729 NMBVKVFHNOLLJZ-ZDUSSCGKSA-N 462.327 2.479 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2CCCN2CCN(CC)CC2)c1 1300334119 HWTGCAYMKCNXKU-QHCPKHFHSA-N 493.656 2.256 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1Cc1cnc(C)s1)[C@H]1CCS(=O)(=O)C1 1300489912 VQFLAAQZSRWKGZ-KRWDZBQOSA-N 487.607 2.402 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1C[C@@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1300505446 AFEQSZATOHPXQU-HLAWJBBLSA-N 498.628 2.294 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@]1(O)CCC[C@@H]1C 1300575204 SSNRGARWFNGYDD-MBSDFSHPSA-N 454.600 2.252 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2C[C@H](N2CCOCC2)C(F)(F)F)CC1 1300729254 SFLDMLNHUUGFHI-FQEVSTJZSA-N 496.578 2.240 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@]2(O)CCSC2)CC1 1300730904 GNDCUWMAQNUXDH-RUZDIDTESA-N 483.638 2.308 30 10 JEEE C#CCSCCn1c(N2CCO[C@@H](c3cnn(CC)c3)C2)nnc1[C@]1(OCC)CCOC1 1300778348 SZRKSVKBUOVYIM-KNQAVFIVSA-N 460.604 2.091 30 10 JEEE COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](c2cccs2)N(C)C)CC1 1300881657 ANBCLBCNSCHMSZ-HXUWFJFHSA-N 479.610 2.476 30 10 JEEE C=CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@H]1CCN(S(C)(=O)=O)C1)C1CC1 1301320840 PBWSJQXHUWEFBC-INIZCTEOSA-N 461.588 2.399 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccccc2CC)C1 1301556907 KEKCDONOJFUTBF-SFTDATJTSA-N 475.615 2.003 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 1301579405 QYDFAFIKCCMCEX-UHFFFAOYSA-N 476.603 2.434 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(CCCO)CC1 1301588512 GGTDDMMVCHBLAS-OAQYLSRUSA-N 476.599 2.380 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCOC(C)(C)[C@@H]1C 1301592986 HEYVYQGRIFZCIU-KRWDZBQOSA-N 459.572 2.333 30 10 JEEE CC(C)CC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1303006926 HPAADPJLJRFCLG-MBSDFSHPSA-N 474.631 2.474 30 10 JEEE Cc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)c(O[C@@H]2CCOC2)c1 1304348075 ATQXMDXQMNBUKP-YLJYHZDGSA-N 488.614 2.153 30 10 JEEE Cc1nn(C)c(N2CCN(c3nnc(C(=O)NC(C)C)n3CCc3c(F)cccc3F)CC2)c1C#N 1304730369 DMKBGLUWQQWTEL-UHFFFAOYSA-N 497.554 2.177 30 10 JEEE COc1cc2c(cc1Cn1c([C@@H]3CCS(=O)(=O)C3)nnc1N(C)C[C@H](C)C#N)O[C@@H](C)C2 1315359397 FHYZLTACALQUCN-OWCLPIDISA-N 459.572 2.156 30 10 JEEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1C[C@@H]1CCOC[C@@H]1OC)[C@@H]1CCS(=O)(=O)C1 1358956218 BYWLFIUPWOUOOY-AFXVXQJMSA-N 486.638 2.498 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2Cc2cc(OC)ccc2OC)CC1 1359043515 WTMGGWUMGGPKPO-UHFFFAOYSA-N 460.538 2.371 30 10 JEEE C#CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCc1cnccn1 1359058184 VBOSCFNBXFBQRF-IBGZPJMESA-N 487.630 2.422 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2COc3ccccc3O2)nnc1N(C)CCS(C)(=O)=O 1359099125 KFUGKXZCCVOKAL-UXPWSPDFSA-N 462.572 2.253 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N(C)C[C@@H](C)C(=O)NC 1359102682 DSXWIEIHIVRXFE-MDZRGWNJSA-N 460.604 2.069 30 10 JEEE C=C(C)COCCn1c(-c2cccc(C)n2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1359131167 JWGHZDHFOKDKEX-LJQANCHMSA-N 453.591 2.030 30 10 JEEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1359203592 RKOSPIKDPNIKEK-MRXNPFEDSA-N 479.632 2.243 30 10 JEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1359227752 KXZPNLZMIVZMJG-HXUWFJFHSA-N 479.647 2.002 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(I)cc1 1359240264 KATYRDIHAKUHJB-CQSZACIVSA-N 472.352 2.455 30 10 JEEE C=CCOc1ccccc1Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](CC(N)=O)C1 1359311171 SNPSCWRFRFLDSS-SFHVURJKSA-N 452.559 2.105 30 10 JEEE CC(=O)N1CCc2c(sc(NC(=O)c3ccc(N4CCC[C@H](C(N)=O)C4)cc3)c2C#N)C1 1437998841 GOBGMINSNHQBNJ-INIZCTEOSA-N 451.552 2.478 30 10 JEEE CC[C@H](C)NC(=O)c1cccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)c1 1496202702 ABHQHUISYBYGBA-NVVBAYIOSA-N 488.589 2.199 30 10 JEEE CN1CC[C@@](O)(Cn2c(CC(C)(C)C)nnc2N2CCN(c3ccc(C#N)cc3F)CC2)C1 1503677437 ADKFZWVCQUGPOI-DEOSSOPVSA-N 455.582 2.271 30 10 JEEE COCCN(Cc1ccco1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCS(=O)(=O)C1 1504878249 FYCFQPSKVYYXCT-SFHVURJKSA-N 455.540 2.497 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1noc(CC)n1 1507536185 BDFFGBOEPUGPKB-JKSUJKDBSA-N 459.551 2.233 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCN(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1507624663 CUSQNPQORYQTJT-FQEVSTJZSA-N 474.587 2.210 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1ccnc(SC)c1)[C@@H]1CCS(=O)(=O)C1 1507628144 GJYGWNXQDLWIBF-QGZVFWFLSA-N 454.581 2.132 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](c1ccccc1)N1CCOCC1 1507638327 ZCNBNDLWSXNSLN-QFIPXVFZSA-N 469.549 2.072 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCn1cc(Br)cn1 1507688020 VIXMFWUIXBVOHP-UHFFFAOYSA-N 481.358 2.311 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CC2CCN(CC(F)(F)F)CC2)CC1 1507716354 QFHLIBNSDLZREC-UHFFFAOYSA-N 483.583 2.226 30 10 JEEE C#CCN1CCN(c2nnc(-c3sc4ccccc4c3Cl)n2CCS(=O)(=O)N(C)C)CC1 1507719558 ORXZUYUWPZMUIN-UHFFFAOYSA-N 493.058 2.460 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1([S@](C)=O)CC1 1507771797 CUCJHTZTWUGPEY-HXKMSDEXSA-N 477.631 2.490 30 10 JEEE C=C(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1507824705 GFDJCEWEQBQJRR-UHFFFAOYSA-N 479.603 2.313 30 10 JEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C)cc2N2CCOCC2)CC1 1507880930 LQNPZVRFQZANCO-IBGZPJMESA-N 474.631 2.238 30 10 JEEE C=CCN(Cc1cccs1)c1nnc(C(=O)N2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1508006136 JTTZYHGMRCZEQN-VZCXRCSSSA-N 481.582 2.295 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc(C(=O)N2CCCC2)n1CC1(C(N)=O)CCOCC1 1508022253 YKZRUEOBUGAPQF-UHFFFAOYSA-N 466.586 2.031 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1508136122 PMCXYGZPDNGEKO-MRXNPFEDSA-N 482.532 2.490 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1Cc1ccccc1Cn1cccn1 1510186762 HVXGXUBRWUHWHE-GOSISDBHSA-N 482.614 2.311 30 10 JEEE Cc1nccn1CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1511612799 GTXOYJPZJOLBOZ-QGZVFWFLSA-N 480.598 2.259 30 10 JEEE C[C@@H]1C[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCCN(S(C)(=O)=O)CC2)CCO1 1512012398 AVRJRDWNEXBQSS-MJGOQNOKSA-N 458.588 2.104 30 10 JEEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCN(C)C2)C[C@@H]1NC(=O)OC(C)(C)C 1512419348 IEPSFTQRSVBZLG-AUBMYDRESA-N 481.601 2.233 30 10 JEEE CC(C)(C)S(=O)(=O)N1CCC(NC(=O)COc2cccc(Br)c2C#N)CC1 1521793806 GBFDZLMBRQTEHU-UHFFFAOYSA-N 458.378 2.408 30 10 JEEE C=CCc1ccc(OCC(=O)N2Cc3ccccc3C[C@@H]2C(=O)NCCN(C)C)c(OC)c1 1534009372 NCMFNVBPRSAIHC-JOCHJYFZSA-N 451.567 2.434 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCCN1CCN(CC)CC1 1538966291 XFAPKAMSALPIKZ-LJQANCHMSA-N 472.037 2.347 30 10 JEEE C#CCN(c1nnc(-c2cn(C)c3ccccc23)n1C[C@@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1539216792 XHQIKWFWDFJLDV-MSOLQXFVSA-N 454.600 2.014 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1CCNC(=O)[C@H](C)CCC)[C@@H]1CCS(=O)(=O)C1 1539218858 FFLSRYSYZYLRFH-QZTJIDSGSA-N 451.637 2.046 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(F)cc2Br)n1C[C@H]1CCN(S(C)(=O)=O)C1 1539249721 AGPGBEGKQIYEFQ-HNNXBMFYSA-N 494.390 2.201 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@](C)(O)[C@H](C)CC 1539416855 TZCMTEIGMQOWRZ-IMWIBFENSA-N 479.622 2.470 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(Br)c3)n2CC2([S@](C)=O)CC2)CC1 1539434346 INIQKEHCMWRAMB-NDEPHWFRSA-N 462.417 2.374 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H]2CCCN2CC)CC1 1539470685 VQIUWJBRQHWYGY-OAQYLSRUSA-N 480.613 2.412 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCNC(=O)C(C)C 1539540034 DKQKQKIJOYTHDV-XMMPIXPASA-N 486.642 2.350 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2C[C@@](C)(O)CC)C1 1540883893 GOVFIDRMZCUVHD-VGSWGCGISA-N 462.620 2.489 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CC[C@@H](C2CCOCC2)C1 1540905222 UZVBGKOXMPDKNR-GOSISDBHSA-N 465.645 2.488 30 10 JEEE C=C(C)CN1CCC(NC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 1542973266 HYFCEVSYHXVAHP-HXUWFJFHSA-N 450.561 2.295 30 10 JEEE C=CCCn1cc(C(=O)N[C@H](CC(=O)OC)c2cccc(I)c2)nn1 1544745481 SKSSUBLOADWPCJ-CQSZACIVSA-N 454.268 2.493 30 10 JEEE CCn1nc(-c2nnc(N(C)C[C@H](C)C#N)n2C[C@@H]2CCOC[C@@H]2OC)c2ccccc2c1=O 1547737215 HBDBCMBVXRXSDU-UWVAXJGDSA-N 465.558 2.322 30 10 JEEE CCOc1ncccc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1548009762 AASRZONTJRJEMD-NRFANRHFSA-N 461.526 2.000 30 10 JEEE COC[C@@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(c2ccccc2C#N)CC1 1555236556 CUNFXGZDZVHJHX-ICSRJNTNSA-N 472.615 2.051 30 10 JEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCO[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)c1 1566256631 PNJCDPRYBDIMJC-QFBILLFUSA-N 450.557 2.238 30 10 JEEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(I)cc2O)c1 1567501863 KMWMBGMCEBFZIS-UHFFFAOYSA-N 456.261 2.161 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CC1(CC(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 1588029265 FJSSDINFXZDRGF-GOSISDBHSA-N 470.599 2.378 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CSCCS1)[C@@H]1CCS(=O)(=O)C1 1588034564 IPAKTSNUQQPUPC-MSOLQXFVSA-N 493.636 2.329 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1CCOc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1588045918 TXBZKLQAOAQAQI-IBGZPJMESA-N 453.568 2.298 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCCN(C(C)C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1588055025 RRSULQULRLUVPT-LEWJYISDSA-N 465.664 2.308 30 10 JEEE C#CCN(CC)c1nnc(-c2cn(C)c3ccccc23)n1CCS(=O)(=O)N1CCSCC1 1588302306 SLMKESZJBUKDJJ-UHFFFAOYSA-N 472.640 2.275 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(OCC(F)(F)F)c1 1588645836 DCHGSSNSCNZPLY-KRWDZBQOSA-N 486.516 2.256 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2oc(CC)nc2C)CC1 1588885367 WCNNEUIDTSDTJS-UHFFFAOYSA-N 469.590 2.069 30 10 JEEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1589027974 WBXUICXIQCGHPE-IBGZPJMESA-N 479.614 2.028 30 10 JEEE C=C(C)COCCn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@@H](COC)C1 1593702924 APLQZIOVEKPIKQ-MRXNPFEDSA-N 454.369 2.490 30 10 JEEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1594761080 USWVAFRGHOLJQH-AZUAARDMSA-N 485.658 2.225 30 10 JEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1594813162 PQJKFBQBTDBGGF-AWEZNQCLSA-N 474.509 2.008 30 10 JEEE C=CCCOCCn1c(N2CCN(c3cc(N4CCOCC4)ncn3)CC2)nnc1C(C)(C)C 1594829546 KRYUQJZNFRBTQT-UHFFFAOYSA-N 470.622 2.122 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cn(C)nc1-c1ccccc1 1595219571 WZBZLKPGBQQHQR-OAQYLSRUSA-N 497.625 2.238 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(Cc3cn4ccccc4n3)n2CCNC(=O)C(C)(C)C)C1 1595739311 YPUADTJOSDWORG-LJQANCHMSA-N 451.575 2.460 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1C[C@H](C)O[C@H](c2ccsc2)C1 1595788922 KQMDKZUVPBYIIR-YJBOKZPZSA-N 460.585 2.364 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCC(c3nccs3)CC2)nnc1[C@]1(OCC)CCOC1 1595831154 MHYJMBWYOWOSCW-NRFANRHFSA-N 481.644 2.372 30 10 JEEE CC(C)(O)Cn1c(COc2ccccc2F)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1597846631 BUKUAHSNYDZASK-UHFFFAOYSA-N 451.506 2.360 30 10 JEEE Cc1nccn1-c1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)cc1F 1612440296 DQRMPNQVMUCSHD-OAHLLOKOSA-N 486.577 2.310 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCCn1ccnc1C 1613586060 GRPFUBLWRLVUCD-UHFFFAOYSA-N 490.616 2.385 30 10 JEEE N#C[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)C2=NN(c3ccccc3)[C@@H](C(N)=O)C2)CC1 1626676823 HEEPEDBIGOHYNQ-RTWAWAEBSA-N 450.930 2.169 30 10 JEEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NCC2(CO)COC2)ccc1Cl 1631120565 VVQGKJAONSVPSX-UHFFFAOYSA-N 450.944 2.460 30 10 JEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@](O)(c2ccc(F)cc2)C1 1637377587 AQFHNYJJJWWQDR-WMZHIEFXSA-N 459.543 2.399 30 10 JEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@H](CC)[C@@H](O)C(F)(F)F)nnc12 1638536118 RUFMVAQVWKMYET-IUODEOHRSA-N 455.462 2.140 30 10 JEEE C[C@@H](CNC(=O)CNS(=O)(=O)c1cccc(C#N)c1)Oc1cccc(Br)c1 1641334586 GLJQALMNWLYLJE-ZDUSSCGKSA-N 452.330 2.183 30 10 JEEE CC(=O)N1CCc2ccc(S(=O)(=O)N3CCC[C@@H](Nc4ccc(C#N)cn4)C3)cc2CC1 1664357985 ZAIKHAOHJXKADZ-OAQYLSRUSA-N 453.568 2.166 30 10 JEEE C#CCN(C(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1)[C@@H]1CCCc2ccccc21 1677957595 SFWCPALUAXFAQL-JOCHJYFZSA-N 455.584 2.296 30 10 JEEE C#CC[C@@H](CCOC)NC(=O)NC1CCN(C(=O)CCCN(C)C(=O)OC(C)(C)C)CC1 1684162935 UEGQMGRRMREHQW-SFHVURJKSA-N 452.596 2.352 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(C)CCOCC2)c1 1689872170 QHIAZLSSHYXKRX-IBGZPJMESA-N 485.610 2.053 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@@](C)(OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1689983023 ZDIZXWPHLCYKSX-AUSIDOKSSA-N 458.584 2.396 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Cl)n1Cc1cccn(CC)c1=O)[C@H]1CCS(=O)(=O)C1 1689986329 NIAPPGGNBLMAEI-SFHVURJKSA-N 485.997 2.455 30 10 JEEE C#CCN(CC#CC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCNS(C)(=O)=O 1690054388 VCOCLLQAYLTUAG-UHFFFAOYSA-N 457.600 2.167 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 1690288349 STAIMLDCCHXENB-SFHVURJKSA-N 498.650 2.023 30 10 JEEE C=C(C)COCCn1c(-c2cccc(C)n2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1690309978 PKGPLSSERRJAQN-UHFFFAOYSA-N 462.620 2.492 30 10 JEEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1C[C@H](C)C[C@H]1CC 1690662335 ZNAYNANVCMCYBY-NVXWUHKLSA-N 459.620 2.474 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N(C)Cc1ncc(Cl)n1C 1690672392 QMUKLYQAFOVPHI-INIZCTEOSA-N 457.922 2.116 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1690675783 FHNAQNMESXENGR-FYSMJZIKSA-N 486.548 2.402 30 10 JEEE C=CCNC(=O)Cn1c(N2C[C@H](OC)C(C)(C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1690677426 WSHHZNYOQKNPTR-BBWFWOEESA-N 462.595 2.212 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1690717674 NAZOBBXGYZLAOI-ROUUACIJSA-N 463.991 2.447 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(OCCN(C)C)cc1 1705490378 JNKURRAMKMRLQC-KRWDZBQOSA-N 450.543 2.452 30 10 JEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(OC)c1 1705516610 FRCBWCWOAAKNET-HXUWFJFHSA-N 461.588 2.060 30 10 JEEE C#CCCCCn1c(Cc2ccccc2OC)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1705517898 CDKPOCYSIMUXLN-JOCHJYFZSA-N 464.614 2.424 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1CC1(C(=O)NCC)CCC1 1705625351 HCSUKFDQTVPMPS-LJQANCHMSA-N 452.534 2.315 30 10 JEEE C#CCSCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC(=O)N(C)C[C@H]1C 1705655706 PLTZGMPHRWXPII-OAHLLOKOSA-N 459.572 2.004 30 10 JEEE C=CC[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1)c1ccccc1 1705795485 KYIMGPAEQTVBBJ-PMACEKPBSA-N 479.585 2.249 30 10 JEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2cccc(F)c2)C1 1705829899 FNXNNMJOYIUDPH-QUCCMNQESA-N 464.563 2.490 30 10 JEEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccnc(OCC(F)(F)F)c1 1706746688 DGBJGCMEQKGEHD-HIFRSBDPSA-N 472.493 2.303 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCCO3)n2CCC(=O)NCCC)c1 1722310670 YUIMKQJOMNKVTA-HXUWFJFHSA-N 452.559 2.492 30 10 JEEE C#CCN(C)c1nnc(COc2ccc(OC)cc2)n1C[C@H](N1CCOCC1)C(F)(F)F 1722361020 BVRWDPJIQSGUJJ-SFHVURJKSA-N 453.465 2.198 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2CCCCC2)n1 1722428926 CXSZSBOPSURJDP-FQEVSTJZSA-N 474.631 2.243 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1722433996 JVHRDEYNPPCITA-KUHUBIRLSA-N 466.405 2.064 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2Cc2cccn(CC)c2=O)CC1 1722443360 RLUUDPIWVOORFD-UHFFFAOYSA-N 474.565 2.149 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCSCC#C)CC1 1722443942 QYEOWDVOIYACMB-UHFFFAOYSA-N 475.416 2.368 30 10 JEEE C=C(Br)Cn1c(C2CC2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1722482900 DFLYCYUIOPTQME-KSSFIOAISA-N 451.413 2.443 30 10 JEEE C=CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)NC)CC1)c1ccccc1 1722594381 KNWBOHGUIVGONA-FXAWDEMLSA-N 474.631 2.211 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1722724142 OMZILPMHCJMKIN-WDSOQIARSA-N 491.589 2.405 30 10 JEEE CC(C)N(CCn1c(-c2cnn(C)c2)nnc1N1CCN(c2cc(C#N)ccn2)CC1)C(C)C 1723539605 GRRYIDNDESVWCT-UHFFFAOYSA-N 462.606 2.391 30 10 JEEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCc1cccc(OC)c1 1729068628 AIWUQLBCUIKCTO-GOSISDBHSA-N 462.558 2.443 30 10 JEEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(N(C)C)CCSC2)C[C@@H](C)O1 1730608641 DWQWXXJHRUJJMR-ZHRMCQFGSA-N 486.642 2.406 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@](C)(OC)C2CC2)c1 1740564706 VMVHSLBFSJIWGU-KOSHJBKYSA-N 485.610 2.052 30 10 JEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](c2noc(C(C)C)n2)C1 1740709383 MTSVQNBBPWSRTR-HZPDHXFCSA-N 481.648 2.145 30 10 JEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1C[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1 1740709895 NMXQEUROYZBFPM-OYRHEFFESA-N 452.628 2.351 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](CC(N)=O)C1 1740754087 PZZQEZSRSXNICY-JUXOCIIHSA-N 487.626 2.422 30 10 JEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2cc(OC)c(OC)cc2C1 1740888477 SUBSOIRAAHXMAM-GOSISDBHSA-N 476.599 2.353 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 1740959565 ZXBLAECPRYEZIV-QGZVFWFLSA-N 455.563 2.302 30 10 JEEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1740961726 XLSOZAKWVRKABX-UHFFFAOYSA-N 460.529 2.144 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N1CCN(CC2CC2)CC1 1740987749 YLCMIFPMGMRVSQ-UHFFFAOYSA-N 497.463 2.179 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)c2ccc(F)cc2)CC1 1740991259 RSIMEYQNPAXXMJ-LJQANCHMSA-N 489.573 2.068 30 10 JEEE Cc1nc(N2CCOCC2)sc1-c1nnc(N(C)[C@@H](C)CC#N)n1Cc1cccc(C(N)=O)c1 1742046535 CJCJGLUEOKFXME-HNNXBMFYSA-N 480.598 2.432 30 10 JEEE CCN(CC)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC[C@H](O)C2)CC1 1746047438 HCPDVRPXRUGJRV-GMAHTHKFSA-N 479.629 2.358 30 10 JEEE C#CCCCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1748752275 UKHQIYMTRNQQHR-FQEVSTJZSA-N 459.572 2.064 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1C[C@](C)(O)C(C)C)[C@H]1CCS(=O)(=O)C1 1748804531 ISNMSYZHAFTCNU-JXFKEZNVSA-N 498.447 2.080 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H](C)N(C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1748812631 YIHDUFFLRHGKPC-KNQAVFIVSA-N 464.595 2.492 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1C[C@H](c1ccc(OC)cc1)N1CCCC1 1748825249 WXVATMZBUKCWJH-HSZRJFAPSA-N 460.582 2.433 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1748914579 LNPXAWOZJXUVDK-UHFFFAOYSA-N 498.609 2.063 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC(C)(C)NC(=O)OC(C)(C)C)CC1 1749001449 RMFGZHOKRYVAAG-OALUTQOASA-N 476.622 2.061 30 10 JEEE C#CCSCCn1c(CCc2ccccc2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1749043586 JKCRETZPFYNWMW-QPPBQGQZSA-N 480.682 2.419 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1749682048 NPODURZZEGBJOF-HXOBKFHXSA-N 473.599 2.265 30 10 JEEE C[C@H](C#N)CN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@]1(O)CCN(C)C1 1750075306 CUHZWNKIMPALQL-HXOBKFHXSA-N 461.611 2.055 30 10 JEEE CC(C)CC(=O)Nc1cccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)c1 1750691922 BBSOFOUYRPVUOC-OPAMFIHVSA-N 491.593 2.363 30 10 JEEE Cc1noc(C)c1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1751960201 CDQHHEIRMBWNKT-UHFFFAOYSA-N 466.521 2.407 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@]2(C)[C@H](C1)C2(Cl)Cl 1760155492 ZQSFEEQZBLXCBC-MPGHIAIKSA-N 476.430 2.045 30 10 JEEE C#CCN(c1nnc(-c2ccc(Br)cc2)n1Cc1ccn(C)n1)[C@@H]1CCS(=O)(=O)C1 1760183455 PGMLIWBYMKYJJN-GOSISDBHSA-N 489.399 2.116 30 10 JEEE C#CCN(CC#C)c1nnc(CCCOc2ccc(Cl)cc2C)n1C[C@]1(O)CCN(C)C1 1760207062 WGLFEPBZUPPRDI-DEOSSOPVSA-N 455.990 2.391 30 10 JEEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2Cc2ncccc2N(C)C)CC1 1760262508 ZUABCBUHFIRCOD-UHFFFAOYSA-N 451.525 2.412 30 10 JEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2C)CC1 1760450277 HWYKTPWXHRMLFH-HXUWFJFHSA-N 459.616 2.408 30 10 JEEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCO[C@H]1CCOC1 1760464026 WSHDKDWWCMRQRZ-ROUUACIJSA-N 451.568 2.404 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1760520458 OAHAUZRCXMJDCL-UHFFFAOYSA-N 468.993 2.347 30 10 JEEE C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCN2S(C)(=O)=O)[C@@H]1C 1763005958 HCDKKXGPEYZJJR-ZHALLVOQSA-N 458.588 2.387 30 10 JEEE CCC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ncccc2C(N)=O)CC1)OC 1763856280 CIESYWJPXFDWRZ-FQEVSTJZSA-N 474.569 2.452 30 10 JEEE CCN(c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(N(C)C)nc1)[C@@H]1CCS(=O)(=O)C1 1766441425 DEZJQLFATRMUMO-HXUWFJFHSA-N 465.583 2.339 30 10 JEEE CNC(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1769329578 CTNZSQREZZTTHZ-NRFANRHFSA-N 451.575 2.240 30 10 JEEE COc1cc(OC)cc(-n2cc(/C=N\NC(N)=S)c(-c3ccc4c(c3)N(C)C(=O)[C@H](C)O4)n2)c1 1857807449 JEEWDFSFPGGCIP-MJXQYPEZSA-N 480.550 2.467 30 10 JEEE CN(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CCCNC=O)cc1 1862629101 NMNMFXDJCHCXRP-OAQYLSRUSA-N 451.479 2.196 30 10 JEEE C=CCOc1ccccc1[C@@H]1C(C(=O)N2CCN(CCO)CC2)=C(N)Oc2c1c(CC)nn2CCC 1865230930 ZCXWFCBYUMHVOV-QFIPXVFZSA-N 495.624 2.251 30 10 JEEE COC(=O)c1ccc(C)c(NC(=O)[C@H](CO)NC(=O)C2CCN([C@H](C#N)c3cccs3)CC2)c1 1866866024 CEMYKKHVRDWXAO-VQTJNVASSA-N 484.578 2.236 30 10 JEEE COc1ccc(Cn2nnc(C#N)c2NC(=O)c2ccc(N3C[C@H](C(=O)O)CC3=O)cc2)cc1F 1870109542 XUGRODWIRRWLEC-OAHLLOKOSA-N 478.440 2.036 30 10 JEEE C=CCn1c(C(=O)NC[C@@H](C)O)cc2c(N3CCN(c4ccccc4OC)CC3)ncnc21 1873593018 BISWHRMWQKNOMU-QGZVFWFLSA-N 450.543 2.063 30 10 JEEE CC(C)(C)N1C[C@@H](c2nnc(SCC(=O)Nc3sc4c(c3C#N)CCC4)n2N)CC1=O 1874552429 SDHWJJJRBUGSAO-NSHDSACASA-N 459.601 2.259 30 10 JEEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)N3CCN(c4nc(C)cc(=NCC)[nH]4)CC3)n[nH]2)c1C 1890070467 VRKVJEPPVAYICL-UHFFFAOYSA-N 463.590 2.381 30 10 JEEE CCN1CCN(CC#CCOC2CCN(C(=O)CCc3cc(OC)ccc3OC)CC2)CC1 1890373005 MHWLZLXJXXWPNX-UHFFFAOYSA-N 457.615 2.285 30 10 JEEE N#Cc1cccnc1OC1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccccc2F)CC1 1891876697 MQOPCAFHPHVQQK-LJQANCHMSA-N 458.515 2.315 30 10 JEEE CC(=O)N1CCN(C(=O)c2ccc(C(=O)N3CCC(COc4cc(C#N)ccn4)CC3)cc2)CC1 1891915211 SZOJOEAVAYNJAU-UHFFFAOYSA-N 475.549 2.189 30 10 JEEE CC1(C)OB(C2[C@@H]3CN(S(=O)(=O)CCCCN4C(=O)c5ccccc5C4=O)C[C@@H]23)OC1(C)C 1999981129 KVTCSNJWDKEGGI-QZTJIDSGSA-N 474.388 2.417 30 10 JEEE CC(C)(C)OC(=O)N1CC(n2cc(C(=O)N3C[C@H]4C(B5OC(C)(C)C(C)(C)O5)[C@@H]4C3)nn2)C1 2180986538 DGANLNDHRSRGRP-HUUCEWRRSA-N 459.356 2.234 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](Cc1nccs1)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2180991010 IMUHDTLCKJVMEU-AWEZNQCLSA-N 475.380 2.307 30 10 JEEE CN[C@@H](C#Cc1ccccc1Br)[C@@]1(NC(=O)OC(C)(C)C)CCS(=O)(=O)C1 2235717477 BDSIKYJSJYGKIH-QFBILLFUSA-N 457.390 2.471 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1S(=O)(=O)N[C@H]1C[C@H]1NC(=O)OC(C)(C)C 2255933528 PKLFQUPPEHGBOV-CVEARBPZSA-N 452.382 2.238 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@H]1NC(=O)c1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2266987924 HZFHVKLLHKWHMS-IAGOWNOFSA-N 450.316 2.147 30 10 JEEE CO[C@@H]1C[C@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)N(C(=O)OC(C)(C)C)C1 2267145310 CQPWXMUVERLXGQ-ZIAGYGMSSA-N 467.397 2.197 30 10 JEEE CC(C)(C)OC(=O)NC1(CNS(=O)(=O)Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CC1 2267710720 ZXKOUXUSWZNPES-UHFFFAOYSA-N 466.409 2.463 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(F)cc2B2OC(C)(C)C(C)(C)O2)[C@H](CO)C1 2281785627 ALCZMCIWDKOGMV-INIZCTEOSA-N 464.343 2.179 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2282017067 GDSIQHSHQGYBOA-BJWYYQGGSA-N 458.368 2.436 30 10 JEEE COCCN(C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1)C1CN(C(=O)OC(C)(C)C)C1 2282174757 SAKSSUISFDLSTP-UHFFFAOYSA-N 461.368 2.089 30 10 JEEE CC(C)(C)OC(=O)NCCc1n[nH]c(=NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)o1 2282180638 VTXCVNPMHLVQIH-UHFFFAOYSA-N 458.324 2.110 30 10 JEEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)[C@H]2CC[C@H]21 2282299830 XAPQJXOSZUIJRZ-MSOLQXFVSA-N 479.408 2.153 30 10 JEEE CN(Cc1ccccc1)C1(CNS(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CCC1 2282342540 ISXPKTHSQJWNIO-UHFFFAOYSA-N 474.436 2.052 30 10 JEEE C[C@@H]1C[C@H](N(C)S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)nn2C)CN1Cc1ccccc1 2282343342 DPLBLZLMQVHCPW-MJGOQNOKSA-N 474.436 2.003 30 10 JEEE CN1CCN(Cc2ccccc2)[C@@H](CNS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2282419856 SFKMLBYCHGWPPW-FQEVSTJZSA-N 491.488 2.142 30 10 JEEE CN(C(=O)OC(C)(C)C)[C@@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CC12CC2 2282484417 IYDLQKSZQNDOPA-MRXNPFEDSA-N 460.384 2.191 30 10 JEEE COC1(CCNC(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2282517384 BAMLTHUPCAHZKW-UHFFFAOYSA-N 461.368 2.137 30 10 JEEE Cc1nn(C)c(C(=O)N[C@@H]2C[C@H]3C[C@H]2CN3C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2282559186 NQAZQHUUTWIWLA-ARFHVFGLSA-N 460.384 2.155 30 10 JEEE C[C@@H]1C[C@@H](CNC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CN(C(=O)OC(C)(C)C)C1 2282624111 KPWJQJSIJXJDSG-CVEARBPZSA-N 460.384 2.399 30 10 JEEE Cn1nc(C(=O)N2CCCC[C@@H](CNC(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2282627808 JWZKGCLOHZJUES-INIZCTEOSA-N 462.400 2.486 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@]2(CCN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)c[nH]3)C2)C1 2282646606 QCESSPAUEPMHEU-QHCPKHFHSA-N 461.368 2.166 30 10 JEEE CC1(C)OB(c2cncnc2C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C(F)F)OC1(C)C 2282698204 AIBMKTCJLYOCNZ-SJLPKXTDSA-N 458.318 2.271 30 10 JEEE Cc1cc(S(=O)(=O)N2CCOCCN2C(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2282828385 NLPRMSVRHXQDRU-UHFFFAOYSA-N 482.408 2.467 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2283953155 PMFASCXTRKTWNX-AWEZNQCLSA-N 465.331 2.342 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCc2cc(B3OC(C)(C)C(C)(C)O3)ccc21)C1COC1 2284017124 KDWUYNDVPSLGTC-LJQANCHMSA-N 458.364 2.415 30 10 JEEE CC(C)(C)OC(=O)N1CC(O)([C@@H](F)C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)c2F)C1 2284063627 RVXVVIDAKOGZTI-INIZCTEOSA-N 468.306 2.383 30 10 JEEE COc1ccc(C(O)=C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(OC)cc2OC)cc1 2297062065 IWBRXMLOQKAASF-HSZRJFAPSA-N 482.533 2.466 30 10 JEEE CC#CCN(CC(=O)NC[C@@H](C)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1)C(=O)OC(C)(C)C 2316016998 QASWECPUTNGCKV-HXOBKFHXSA-N 453.580 2.371 30 10 JEEE COc1cccc(C=CC(=O)[C@@H]2CNCC[C@H]2NC(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)c1 2318584523 GQCZNELOYRHJGF-KNXBSLHKSA-N 461.518 2.057 30 10 JEEE O=C(C=Cc1ccc2c(c1)OCO2)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 2325700614 ZKEWRUUUVMLEED-UHFFFAOYSA-N 478.910 2.311 30 10 JEEE COC(=O)c1ccc(C=Nn2c(CCc3ccccc3OC)nnc2SCC(N)=O)cc1 2328681779 ZWXHFCASFXQLFX-UHFFFAOYSA-N 453.524 2.318 30 10 JEEE CO[C@H](CNC(=O)OC(C)(C)C)CNC(=O)c1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2339882368 XPUAWTYJHKMVQW-HNNXBMFYSA-N 452.332 2.394 30 10 JEEE Cc1c(C(=O)NC[C@@H]2[C@@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)nn1C 2359278325 KXORXYATRGTQQB-BZUAXINKSA-N 460.384 2.013 30 10 JEEE CC(C)(C)OC(=O)N1CC(O)(CC(=O)N2CCc3scc(B4OC(C)(C)C(C)(C)O4)c3C2)C1 2361639216 NGESBCZUMJOKJC-UHFFFAOYSA-N 478.420 2.304 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCCCC1CN(C(=O)OC(C)(C)C)C1 2362348333 PSQUDJONLQNWCH-UHFFFAOYSA-N 462.400 2.486 30 10 JEEE Cn1cnc(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 2362351699 IOPIRNRXHYMRIQ-HRCADAONSA-N 460.384 2.095 30 10 JEEE CC(C)(C)OC(=O)NC[C@]12CN(C(=O)c3cnsc3B3OC(C)(C)C(C)(C)O3)C[C@@H]1CCO2 2362503022 LOMXGRGJKIOAIK-FPTDNZKUSA-N 479.408 2.198 30 10 JEEE COC(=O)[C@]1(Oc2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)CCN(C(=O)OC(C)(C)C)C1 2371927156 LINYNVGIVFEPNZ-QFIPXVFZSA-N 466.315 2.451 30 10 JEEE C=CCn1cc(C(=O)NCCN(CC)CC)c(=O)c2cc(S(=O)(=O)N(CC)CC)ccc21 9731193 DFJSYLMKEGAIBC-UHFFFAOYSA-N 462.616 2.290 30 10 JEEE C=CCn1c(=O)c2sc(N(CC)CC)nc2n(CC(=O)Nc2ccccc2C(=O)OC)c1=O 21655807 YSECHNBQBRIEOP-UHFFFAOYSA-N 471.539 2.077 30 10 JEEE CCOC(=O)C1CCN(c2nc3ccccc3n3c(=O)n(CC(=O)Nc4ccccc4C#N)nc23)CC1 35425942 YFBDRMRSICWMJD-UHFFFAOYSA-N 499.531 2.334 30 10 JEEE Cc1ccc([C@H]2/C(=C(/O)c3ccc(S(=O)(=O)N(C)C)cc3)C(=O)C(=O)N2CCN(C)C)cc1 102501919 QGJQFCZJBLRZLP-AGGMBTAESA-N 471.579 2.229 30 10 JEEE C=CCN1C(=O)C(=NNC(=S)Nc2ccccc2C)c2cc(S(=O)(=O)N3CCOCC3)ccc21 254311826 YYSLOERUPJIPTG-UHFFFAOYSA-N 499.618 2.239 30 10 JEEE C=CCc1cc([N+](=O)[O-])ccc1OCC(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1 598745502 JZLKHFKXYXBVJU-UHFFFAOYSA-N 475.523 2.039 30 10 JEEE C=CCn1c(=C(C#N)C(=O)c2ccccc2)sc(=Cc2cc3c(cc2OCCOC)OCO3)c1=O 620273084 QVVWTVLKRJYPIG-UHFFFAOYSA-N 490.537 2.236 30 10 JEEE CCCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CCSc1ccccc1 729670157 JYIOOBLBBABMMT-UHFFFAOYSA-N 489.626 2.379 30 10 JEEE C#CCN(C(=O)c1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 1125953548 GTZCMTUXISPXRX-QGZVFWFLSA-N 458.492 2.445 30 10 JEEE C=CCN1CC[C@@H](N(C)C(=O)c2cnn(-c3ccccc3)c2I)C1=O 1128500633 KIXBSVOYZBEQOH-OAHLLOKOSA-N 450.280 2.336 30 10 JEEE C=CCN1CCC(NC(=O)C2CCN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)CC2)CC1 1136669375 AQUVPMFYBDGPAF-UHFFFAOYSA-N 450.561 2.071 30 10 JEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(Br)cc3C#N)CC2)cc1 1141411561 BUBRYVHIEQDVSY-UHFFFAOYSA-N 459.325 2.339 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNc1ncc(Cl)cc1Cl 1286295624 JTFZXFRNIJHTOY-OLZOCXBDSA-N 457.387 2.452 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(OCC(F)(F)F)nc1 1286297833 DNIHVOCSBFZZSH-HOCLYGCPSA-N 471.505 2.217 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1Cc1ccc(OCC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1286390497 BFDNOVUNBYKCBV-LJQANCHMSA-N 458.584 2.313 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CCC(F)(F)C1)[C@H]1CCS(=O)(=O)C1 1286398986 VQGMERKBSZVRPZ-XSLAGTTESA-N 472.558 2.064 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccc(F)cc2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1286417008 VQOBXQYJDUJPHJ-UHFFFAOYSA-N 478.528 2.324 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)COC)CC1 1286550875 JZKTYVMFBFWCHO-RBBKRZOGSA-N 450.543 2.093 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2ccc(Cl)s2)C1 1286592469 GVPQYKXLAVZVCZ-GJZGRUSLSA-N 488.035 2.480 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)CC1COC(C)(C)OC1 1286787494 VEFDNRMDYCDAOK-UHFFFAOYSA-N 465.558 2.268 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1286821609 QMCMBRWFPBUOIX-GOSISDBHSA-N 494.524 2.017 30 10 JEEE Cc1ccc(SCCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@@H](C)CC#N)cc1 1289883183 CNILRHWHLMJCIZ-HKUYNNGSSA-N 478.644 2.450 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@]2(C)CCCS2)c1 1300331895 UAQAAHNYSBADBN-ZHRRBRCNSA-N 490.655 2.230 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2C[C@@](C)(O)CCOC)c1 1300332264 AXZQGPRGQVAONK-DEOSSOPVSA-N 450.543 2.127 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1ccc(OCC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1300495569 INVCLMFAXOCPJC-PMACEKPBSA-N 488.610 2.254 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1CCN1CCc2sccc2C1)[C@H]1CCS(=O)(=O)C1 1300499512 SYWLHSWBNOYENE-IBGZPJMESA-N 461.657 2.223 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@H]2CCCN2CCCO)CC1 1300682031 DJXFNGYMDOAIBB-IFMALSPDSA-N 470.593 2.159 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccc3c(c2)CCCO3)CC1 1300682229 IKWIQMULVNDELI-UHFFFAOYSA-N 450.587 2.325 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CC[C@H](OC)C(F)(F)F)CC1 1300728639 CISNNLBFOHCFGK-SFHVURJKSA-N 481.523 2.073 30 10 JEEE C#CCSCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1300766136 UNEXXQDTAWYCHK-UHFFFAOYSA-N 473.002 2.409 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)COC)CC1 1300875771 QJWNTXUZGAULSZ-NZQKXSOJSA-N 496.612 2.423 30 10 JEEE C=C(C)COCCn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1300974056 BSVMKDQTNKDXJP-UHFFFAOYSA-N 489.020 2.172 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccccc2COCC)CC1 1301087256 ZIWUYBPVZFYYDR-OAQYLSRUSA-N 475.615 2.352 30 10 JEEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(S(C)(=O)=O)CCCC2)C[C@@H](C)O1 1301372676 GSDIPLBVIMPUHT-XLIONFOSSA-N 473.599 2.414 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(C(N)=O)CCCC1 1301403372 YKLLMHQMIYWLGG-HXUWFJFHSA-N 471.627 2.461 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(C(=O)NCCC)c2)C1 1301535245 JSGSOWDSGWVLLA-NRFANRHFSA-N 466.586 2.484 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC(=O)N(C)CC)C1 1301568194 PYSULHXNHVUHGQ-KSZLIROESA-N 462.595 2.308 30 10 JEEE COCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1316067767 AAVJUDLCFMXANP-AXHZCLLHSA-N 454.575 2.168 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2Cc2csc(COC)n2)c1 1358902003 CHRUENZTRLRDJC-UHFFFAOYSA-N 474.550 2.443 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H](C)Oc1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 1358955253 IMMGZGBOSMHXEF-SJLPKXTDSA-N 494.017 2.164 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCCN(C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1358959883 RLIXXQMQLDELHP-OAQYLSRUSA-N 454.600 2.174 30 10 JEEE C#CCN(c1nnc(CSc2ccc(C)cc2)n1CCc1ccn(C)n1)[C@@H]1CCS(=O)(=O)C1 1358967091 DECJEGBNVSGSSD-HXUWFJFHSA-N 484.651 2.482 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCN(C)CC(F)(F)F)CC1 1359040196 LIQQHTHGADJNFG-HDICACEKSA-N 499.582 2.298 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@](C)(O)c2cc(C)oc2C)CC1 1359044850 PWUYZHAQAIEUKT-NBGIEHNGSA-N 469.586 2.255 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC[S@](=O)CC 1359071650 YDYWWHZFSZHVRY-JPBCIWCSSA-N 465.620 2.347 30 10 JEEE C=C(C)COCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@H](NC(=O)CC)C1 1359131105 HYJCBRBWTQZAOW-SFHVURJKSA-N 489.646 2.326 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCN([C@@H](C)c2ccc(F)cc2F)CC1 1359298050 KSSGTVDVNQDNPT-INIZCTEOSA-N 470.528 2.142 30 10 JEEE CC(=O)N1CCN([C@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCN(C)C(C)C)C[C@@H]2C)CC1 1359399177 LLTHAYHKHSQFIZ-RDPSFJRHSA-N 478.645 2.146 30 10 JEEE CC(C)(C)S(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1359586907 BFXDHSOELWZEBS-NRFANRHFSA-N 486.642 2.189 30 10 JEEE C#CCCCn1c(N2CCC(NC(=O)c3cc(C)on3)CC2)nnc1[C@@]1(OCC)CCOC1 1507598120 BJWDEIKRHJRWSV-HSZRJFAPSA-N 456.547 2.039 30 10 JEEE C#CCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H](C)CN1CCN(CC)CC1 1507605629 UNMLEEJFTVKHRG-IBGZPJMESA-N 451.619 2.490 30 10 JEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCNC(=O)c1cccc(C)c1 1507613351 YYCBDFIJDWLGRV-UHFFFAOYSA-N 465.583 2.046 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@@H]2CCO[C@H]2C(C)C)CC1 1507740165 PCBABLNLBJVIPC-REWPJTCUSA-N 450.587 2.291 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CSc3ccc(C)cc3)n2CC2(O)CCOCC2)CC1 1507741059 KFLTVBQNTSPPDN-UHFFFAOYSA-N 483.638 2.386 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](C#N)C1 1507794315 FCPXMESOBDYKBH-HBFSDRIKSA-N 457.556 2.059 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCCN(S(C)(=O)=O)CC1 1507847749 CTLXTMMFTDGVMN-RTBURBONSA-N 469.652 2.261 30 10 JEEE C=CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1CC(C)(C)N1CCOCC1 1508039512 XZENIPHGOFQVCY-UHFFFAOYSA-N 457.575 2.466 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC(S(C)(=O)=O)CC1 1508071953 CCUGHJGWRZZZKT-GOSISDBHSA-N 475.615 2.351 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](C(N)=O)C1 1508104501 IXABPXUFTPDVQC-GOSISDBHSA-N 461.526 2.240 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1508133564 JYZYKJVFBICMBU-HKUYNNGSSA-N 461.544 2.459 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](C)[C@@H]1C 1508134626 HECMSPYFFFNXTG-CVEARBPZSA-N 452.602 2.184 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1508137253 LWQJYGUSOGDTCH-NQIIRXRSSA-N 477.606 2.232 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(OC)cc2)nnc1N1CCC2(CCOCC2)C1 1508149430 UYUVRSZCBJBGNL-UHFFFAOYSA-N 476.599 2.473 30 10 JEEE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3ccc(C#N)cc3)n2CCCCN2CCOCC2)C1 1508188086 RRUIJYBACBQOJL-JOCHJYFZSA-N 465.602 2.234 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1CNC(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 1524836389 WGEFDTFQXNOEBF-FXAWDEMLSA-N 451.545 2.401 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1(O)CCN(C(C)C)CC1 1539003003 KFAJDQIHSLRDII-LJQANCHMSA-N 477.613 2.368 30 10 JEEE C#CCN(c1nnc(COc2ccccc2OC)n1C[C@@H]1CCC=CO1)[C@H]1CCS(=O)(=O)C1 1539230122 KGKDKXHJTMLFIX-OALUTQOASA-N 472.567 2.185 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCSc1ccccc1 1539369062 GSUDDLRYAXWWNT-IBGZPJMESA-N 463.629 2.253 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Br)c3)n2CCCNC(C)=O)CC1 1539470086 XTUFUXWZMHOPQW-UHFFFAOYSA-N 487.402 2.200 30 10 JEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)c2cccc(F)c2)CC1 1539512892 GYFRSRVKYJAZOT-LJQANCHMSA-N 470.574 2.087 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1nc2cccc(Cl)c2n1C 1539538797 NFFQSNCQQWZQGX-SPLOXXLWSA-N 476.006 2.469 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2OCC)CC1 1539751543 PENLLMPCGYGRGY-HXUWFJFHSA-N 489.642 2.498 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1539917576 WMULGCBLJIDTTB-FQEVSTJZSA-N 460.623 2.103 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCOCC2(CC2)C1 1540897165 CBOXVDSCCKLXGG-UHFFFAOYSA-N 473.599 2.365 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCCO[C@@H](C)C1 1540898145 AXHRBMZKVINQPP-ZDUSSCGKSA-N 458.382 2.252 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC(C)(C)OC(C)(C)C1 1540898157 BHIJIYFPAPYMKU-UHFFFAOYSA-N 496.655 2.343 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1540903318 BIFUQEGVSAWARM-UHFFFAOYSA-N 495.584 2.202 30 10 JEEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@](C)(O)c2cccs2)C1 1547780026 HQNVIQLGESHVNI-GCJKJVERSA-N 486.623 2.304 30 10 JEEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCc1ccc(NC(C)=O)cc1 1548174407 BVIFGGUDEDAMNE-GOSISDBHSA-N 489.584 2.392 30 10 JEEE CNC(=O)C(C)(C)Cn1c(Cc2ccncc2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1554376608 BTVVIYASYWZBBA-NRFANRHFSA-N 459.554 2.486 30 10 JEEE C#C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1)c1ccc(Cl)cc1F 1584727304 IWGITHNXKHVPCD-GOSISDBHSA-N 452.939 2.412 30 10 JEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1587765399 GDOBYQITNWVKIU-HXUWFJFHSA-N 461.632 2.213 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCC1CC(OCC)C1)[C@H]1CCS(=O)(=O)C1 1588050995 YYDJQELHKDPBPZ-GPJFCIFZSA-N 457.600 2.480 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(OC)ccc2Br)n1Cc1cn(C2COC2)nn1 1588099015 GEGZKQQUVXWBME-UHFFFAOYSA-N 482.342 2.000 30 10 JEEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1589289712 VZHJKJYZVFHKOS-GOSISDBHSA-N 480.455 2.027 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 1593746732 LWHKEWCSOMANLW-BHDDXSALSA-N 474.650 2.192 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(OC[C@H]2CCCCO2)CC1 1593747520 YBFSTTBISBQRLN-PZJWPPBQSA-N 482.647 2.327 30 10 JEEE C=C(C)COCCn1c(CC2CC2)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1593757427 DLVJAMHDZZDIGM-NHCUHLMSSA-N 458.651 2.450 30 10 JEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 1593763111 AHMFHTGAZPNXEZ-SFHVURJKSA-N 462.595 2.487 30 10 JEEE C=C(Cl)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCCN(S(C)(=O)=O)CC1 1593884133 CMUMEQCNHLXNPH-QGZVFWFLSA-N 453.952 2.015 30 10 JEEE C=CCCOCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1594789177 ZHYSZIFIALPMOT-FPOVZHCZSA-N 488.658 2.461 30 10 JEEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCc1cnc2c(Cl)cnn2c1 1595266451 GESAVVHNMHQGFT-UHFFFAOYSA-N 458.954 2.092 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1595466986 OLCCYKRUPWDCHA-FQEVSTJZSA-N 479.585 2.041 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCC[C@@H](C(N)=O)C1 1595490501 UJWPQAIGPKTOKY-LJQANCHMSA-N 461.570 2.357 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(N3CCSCC3)CCCC2)C1 1595672695 BSCVMIQDLVQDJA-RBUKOAKNSA-N 498.719 2.031 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCCC[C@@H](SC)C1 1595824056 WEDOQHNPIDEQIR-GOSISDBHSA-N 452.650 2.462 30 10 JEEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@](O)(c2ccccc2F)C1 1595845509 VCJKJHGYGQRRCR-MGPUTAFESA-N 469.608 2.045 30 10 JEEE CC(C)NS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H]1[C@H]1CCCO1 1610312670 BIHOCUSUCGTWRH-NHCUHLMSSA-N 488.614 2.204 30 10 JEEE CC(=O)c1cccc(S(=O)(=O)NCCC(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)c1 1611440893 BPBZLBYZRWRNGP-UHFFFAOYSA-N 455.471 2.393 30 10 JEEE CCOC(=O)[C@H]1S/C(=N/C(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)N(C)[C@H]1C 1613976235 KQGGMYQLSKHFGJ-DOLXLOFVSA-N 467.613 2.277 30 10 JEEE CN(C)S(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(Oc2ncccc2F)CC1 1617705646 CIVKPUPBUXDQJS-UHFFFAOYSA-N 499.572 2.290 30 10 JEEE COC[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCC(O)CC2)C1 1619702496 FVQJSMQGXLZTOF-NRFANRHFSA-N 468.602 2.438 30 10 JEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCCc1ccc(S(=O)(=O)N(CC)CC)s1 1631273878 HSGSVJHEHUJQQX-UHFFFAOYSA-N 457.618 2.308 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)CC(=O)Nc2cccc(S(=O)(=O)N(CC)CC)c2)c1 1641536296 COHVQJDXIXMSGY-UHFFFAOYSA-N 456.568 2.207 30 10 JEEE C#CCN(C(=O)c1cc(S(=O)(=O)NCC(N)=O)ccc1Cl)[C@@H]1CCCc2ccccc21 1645389641 FJCNENGMNYHEFA-HXUWFJFHSA-N 459.955 2.257 30 10 JEEE C#CCN1CCN(C(=O)CSc2nnc(-c3cccc(OC)c3)n2Cc2ccco2)CC1 1651638155 VTIAAXNHIXOFAA-UHFFFAOYSA-N 451.552 2.465 30 10 JEEE COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCCN1S(=O)(=O)c1cc(C#N)ccc1Cl 1663230118 HJHICKSMNYVOLS-HNNXBMFYSA-N 457.936 2.385 30 10 JEEE C#Cc1cccc(NC(=O)CNS(=O)(=O)[C@H]2CCCN(C(=O)OCc3ccccc3)C2)c1 1666556525 YEROBQIKBHOGFP-NRFANRHFSA-N 455.536 2.327 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Cl)n1Cc1cnn(C)c1C)[C@@H]1CCS(=O)(=O)C1 1689986919 ZRZCGQUCLDAWBS-QGZVFWFLSA-N 458.975 2.315 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H](C)Oc1ccccc1F)[C@H]1CCS(=O)(=O)C1 1689990111 LPWRRZCHPCWOET-QRVBRYPASA-N 476.574 2.405 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1Cc1ccc(OC)nc1OC)[C@@H]1CCS(=O)(=O)C1 1689992286 IZPCBABDBDJRQH-LJQANCHMSA-N 499.568 2.095 30 10 JEEE C#CCN(CC#C)c1nnc(CCc2ccccc2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1690023672 BTVRCSPEKZRGNC-XZOQPEGZSA-N 465.623 2.340 30 10 JEEE C#CCN1CCN(c2nnc(CSc3ccccc3OC)n2C[C@@H]2CCOC[C@H]2OC)CC1 1690135427 WNSMKTDHGNEPOE-PZJWPPBQSA-N 471.627 2.386 30 10 JEEE C#CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H]1CCOC1 1690174683 ICBCACZJUVTXLS-IAGOWNOFSA-N 451.593 2.178 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc3ccccc3n2)nnc1N(C)CCNS(C)(=O)=O 1690241842 YEMWTSWWULQNIJ-GHTZIAJQSA-N 470.599 2.460 30 10 JEEE C=CC1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1690417503 UUYBSJWTNIDXCV-IXFSTUDKSA-N 495.646 2.001 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1690665876 SESZEKYOPGOFPX-UHFFFAOYSA-N 465.558 2.183 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN2CCOC[C@@H]2C1 1690719731 RXBLECARQVIHKR-INIZCTEOSA-N 486.425 2.374 30 10 JEEE COc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@](C)(C#N)C2)cc1OC 1697452745 CUNRVJUIXAJRLA-HTAPYJJXSA-N 459.572 2.376 30 10 JEEE CS[C@H](C)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1698344018 AMTPWFZLRCPQCT-MRXNPFEDSA-N 457.579 2.489 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCc1cccc(F)c1F)[C@@H]1CCS(=O)(=O)C1 1705571919 LGAIICYOMONUMF-SJLPKXTDSA-N 450.511 2.277 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1cnn(C)c1C 1705621430 CPDDEIRVPKLUNW-UHFFFAOYSA-N 455.950 2.038 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)C(F)(F)F)n1 1705631638 LAGJYCRBVZFSAZ-INIZCTEOSA-N 467.496 2.300 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2Cc2cc(OC)c(OC)c(OC)c2)CC1 1705644456 RCDVGPBUBQHRSK-UHFFFAOYSA-N 455.559 2.441 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccn2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1705704382 SSSPTLSCMQOMOY-FXAWDEMLSA-N 460.604 2.182 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCc2ccccc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1705706135 QFHTWFCDMFITKA-VWNXMTODSA-N 494.640 2.218 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](OC)c1ccccc1 1705717665 PCMLPEWRTVXDRJ-WOJBJXKFSA-N 463.604 2.401 30 10 JEEE C=CCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1705887401 DWJLEVQNHAXZHH-UHFFFAOYSA-N 489.418 2.183 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@@H](n2cncn2)C1 1705895657 OEAYVOQOLYPHEO-MRXNPFEDSA-N 458.473 2.282 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCC(OC(C)(C)C)CC2)nnc1[C@]1(OCC)CCOC1 1705939535 ZEBUIFXVMDTVMK-QFIPXVFZSA-N 470.636 2.315 30 10 JEEE Cc1nn(C)c(N2CCN(c3nnc([C@H]4CCC(=O)N4)n3CCCC(C)(C)C)CC2)c1C#N 1707807604 HCBJHVZTQBGWTD-GOSISDBHSA-N 453.595 2.296 30 10 JEEE CCCNC(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2ccn(C)n2)C1 1709819710 CDHLWZYXLSKZMF-FQEVSTJZSA-N 476.585 2.448 30 10 JEEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 1709902065 CDLWSWWUZUSAAQ-GOSISDBHSA-N 464.530 2.379 30 10 JEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1c(C)cc(C)cc1C)[C@H]1CCS(=O)(=O)C1 1722358194 DUZWYCHPYMSGCL-FQEVSTJZSA-N 469.611 2.114 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](c2cccc(OC)c2)N2CCCC2)CC1 1722429250 JDLWYZIMKUFIFA-HSZRJFAPSA-N 479.629 2.017 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 1722523094 AEQBUAGOLOWRJZ-IBGZPJMESA-N 476.559 2.264 30 10 JEEE C=CCNC(=O)Cn1c(Cc2c[nH]c3ccccc23)nnc1N(C)CC1COC(C)(C)OC1 1722701624 XQPDSRWSJFRULQ-UHFFFAOYSA-N 452.559 2.488 30 10 JEEE C=CCNC(=O)Cn1c(N2CCO[C@@H](c3ccccc3Cl)C2)nnc1[C@]1(OCC)CCOC1 1722703774 HKYGPEHGDLAFBO-XXBNENTESA-N 475.977 2.464 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccc(NC(C)=O)nc2)C1 1722711857 XQQFHHNTUJGERH-AUSIDOKSSA-N 456.547 2.113 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H]1c1ccc(O)cc1 1722724773 FUIXSLNTERXBBB-LJQANCHMSA-N 459.572 2.162 30 10 JEEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 1722742818 ICIWXKCUXHXZMK-QGZVFWFLSA-N 473.599 2.391 30 10 JEEE C[C@H](C#N)CN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCN1CCCO[C@@H](C)C1 1722862216 HPJITVJORKEYPQ-MOPGFXCFSA-N 474.631 2.445 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1CCCn1cc(Br)cn1)[C@@H]1CCS(=O)(=O)C1 1740616039 QQVWQCLGBVUKKM-MRXNPFEDSA-N 483.436 2.252 30 10 JEEE C#CCN(CC)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1CC1(O)CCS(=O)(=O)CC1 1740662556 UWCYAWWXDOHTNL-SFHVURJKSA-N 476.599 2.216 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCCCCOC)CC1 1740695797 DJJOEUUDRKAGCZ-HXUWFJFHSA-N 476.622 2.158 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(CC(F)(F)F)CC1 1740778538 JFKRYPZDQNJLRQ-UHFFFAOYSA-N 472.537 2.456 30 10 JEEE C=C(C)COCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@@H](C(=O)NC)C1 1740788887 YTDPRGMHQZBSAZ-GOSISDBHSA-N 489.646 2.102 30 10 JEEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)Cc1cccc(C)c1 1740959265 PJEACTUTTYILPN-UHFFFAOYSA-N 467.599 2.485 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(N2CCCNC2=O)CC1 1740960889 FFFMKJJJJUHJIV-UHFFFAOYSA-N 471.993 2.209 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](c2cccc(Cl)c2)C1 1740986481 YVRQHHZLUVBSFY-GOSISDBHSA-N 482.006 2.248 30 10 JEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc2c(c1)OCO2 1741002915 NFQPMAOTHXZDPS-MRXNPFEDSA-N 450.586 2.465 30 10 JEEE CCN(CC)C(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(C)CCCO2)CC1 1746047713 CKAWOVIATWOZKW-AREMUKBSSA-N 495.628 2.288 30 10 JEEE CN(c1nnc(-c2ccc(C#N)cc2)n1CCn1cc(Cl)cn1)C1CCN(S(C)(=O)=O)CC1 1747617173 BIFSWJHUCPIXJS-UHFFFAOYSA-N 489.005 2.227 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1748651860 SGJVFCOWYHWEDE-PKOBYXMFSA-N 494.625 2.307 30 10 JEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C(=O)N(C)c2ccccc2)C1 1748752040 QUKJXJQOVSSIQY-RTBURBONSA-N 455.584 2.083 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CCCOC1CCCC1)[C@H]1CCS(=O)(=O)C1 1748819618 QFRKYCSBMYJZRJ-FQEVSTJZSA-N 457.600 2.240 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(F)cc2Br)n1CCN/C(O)=C1\N=CC=CC1=O 1748836159 QZHQNRDPBLQOPD-XUTLUUPISA-N 497.328 2.446 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@H](C)N1CCOCC1 1748922710 JDDNWYIURXMEKH-IBGZPJMESA-N 463.586 2.245 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1ncccc1N(C)C 1748961126 VVBUZNHUECJRGG-UHFFFAOYSA-N 458.526 2.189 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2CCCn2cc(Br)cn2)CC1 1748986975 OBKXUDUITDFCJC-UHFFFAOYSA-N 469.391 2.453 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(C)cc2OCCOC)CC1 1748990796 LGGOWVLJSAJBFA-QFIPXVFZSA-N 453.587 2.309 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCNC(=O)C(C)C)CC1 1749006234 KUJYEKZFLFXCAU-UHFFFAOYSA-N 487.004 2.345 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cc2ccncc2)n1CC(=O)N1CCOCC1 1749529830 MIARAXHFYCFYOA-UHFFFAOYSA-N 462.554 2.324 30 10 JEEE C=CCN(CC=C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@]1(O)CCSC1 1749561807 XCRBPSBPZGLBJN-OAQYLSRUSA-N 463.629 2.242 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)c(Cl)c1 1749599764 KSFFIEKBULVAOJ-GOSISDBHSA-N 487.985 2.091 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(N2CCSCC2)CCCC1 1749600212 RYGIBCUPDGESTP-IBGZPJMESA-N 483.704 2.181 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(c2cccs2)CC1 1749655231 FKAQGVPVTVRHQP-UHFFFAOYSA-N 486.623 2.039 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1749655938 UQAIKCFWYRFKDV-IBGZPJMESA-N 465.518 2.205 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1749660057 NGYCFGKFEXDOFZ-GOSISDBHSA-N 484.601 2.396 30 10 JEEE C=CCNC(=O)Cn1c(N2C[C@@H]3CCCN3C[C@@H]2C)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1749681773 ILXICKJISMUEFJ-OKYOBFRVSA-N 473.622 2.024 30 10 JEEE Cc1cccc(-c2nnc(N3CCN(c4nccnc4C#N)C[C@@H]3C)n2C[C@@](C)(O)C(C)C)n1 1751621200 CFJFKGAHXLNLJG-MHECFPHRSA-N 461.574 2.432 30 10 JEEE C[C@@H]1CN(CCCn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H](C(N)=O)C2)CCCO1 1752397305 DKOSYPPQVCTDGQ-NQIIRXRSSA-N 451.575 2.019 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cn3nc(C)cc3C)n2CCCn2cccn2)c1 1760127500 ARVAKGFYRYWRCT-UHFFFAOYSA-N 471.569 2.483 30 10 JEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCc1ccc(C=C)cc1)[C@H]1CCS(=O)(=O)C1 1760179353 QRJPRCVQKOQZDE-NRFANRHFSA-N 467.595 2.027 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1c(F)cccc1Cl)[C@@H]1CCS(=O)(=O)C1 1760187966 MITNNCPVPDCUPZ-HUUCEWRRSA-N 452.939 2.250 30 10 JEEE C#CCN(c1nnc(COc2ccccc2OCC)n1C[C@@H]1CCCOC1)[C@H]1CCS(=O)(=O)C1 1760193344 XMFFGPQCJVQRRH-PMACEKPBSA-N 488.610 2.309 30 10 JEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1CCO[C@@H](C)C1 1760196492 OTIDPTKVVYJJME-HKUYNNGSSA-N 454.600 2.435 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@@H]2CCO[C@H]2C(C)C)CC1 1760272038 WQRRWIOYVHMUBK-GMAHTHKFSA-N 450.587 2.291 30 10 JEEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1760285439 GMJFNULBZIMNTP-QFIPXVFZSA-N 452.540 2.126 30 10 JEEE C#CCSCCn1c(N2C[C@@H]3[C@H](C2)[C@@H](NC(=O)OC(C)(C)C)CS3(=O)=O)nnc1C(C)(C)C 1760286426 LCWDRJBPYHTEJB-IXDOHACOSA-N 497.687 2.069 30 10 JEEE C=CCCOCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@](F)(C#N)C1 1760447042 IOAHGNLRTIXUAO-OAQYLSRUSA-N 462.551 2.230 30 10 JEEE CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 1766244826 CQPKZYCMQQPAKS-SFHVURJKSA-N 464.530 2.427 30 10 JEEE COC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)C(C)(C)C)C[C@H](C)O1 1770942724 AQRAOKUUXMBNCI-QFBILLFUSA-N 461.588 2.270 30 10 JEEE C[C@@H]1CN(C2CCOCC2)CCN1c1nnc(-c2cccc(C#N)c2)n1CC(=O)NCC(F)(F)F 1771497169 FIJWKRCHZISIGG-MRXNPFEDSA-N 491.518 2.185 30 10 JEEE N#C[C@H](c1cccs1)N1CCC(C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N2CCOCC2)CC1 1868783945 URZIQUDCCQFHDF-FGZHOGPDSA-N 482.606 2.317 30 10 JEEE C=CCOc1ccccc1OCC(=O)Nc1nc(N(C)CCCC)nn1[C@H]1CCS(=O)(=O)C1 1870035483 DUSBCSCNTZEUJH-KRWDZBQOSA-N 477.587 2.456 30 10 JEEE COc1ccc([C@@H]2[C@H](C(=O)N3CCN(c4ncccc4C#N)CC3)SCC(=O)N2C2CC2)cc1 1892138379 LAMFGTOLJSXMBF-DHIUTWEWSA-N 477.590 2.458 30 10 JEEE Cc1cc(-n2c(C)nc(I)c2I)cc(C(N)=NO)n1 2088985123 JXYNCDCXVMPYRM-UHFFFAOYSA-N 483.051 2.188 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)NCCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2180972107 HUQCWQYKFCLVRJ-IBGZPJMESA-N 460.380 2.280 30 10 JEEE COC(=O)[C@@H](CC(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)NC(=O)OC(C)(C)C 2185157670 FHDCWQZHHDOGMB-QGZVFWFLSA-N 462.352 2.058 30 10 JEEE N#C[C@H]1CN(S(=O)(=O)c2ccc(NN)c(Br)c2)CCN1Cc1ccccc1 2240935559 XNXPEXQTCMPBAE-HNNXBMFYSA-N 450.362 2.133 30 10 JEEE C=C(CS(=O)(=O)NCC1(NC(=O)OC(C)(C)C)CCOCC1)B1OC(C)(C)C(C)(C)O1 2255799279 FUQTXRYBMUCOGM-UHFFFAOYSA-N 460.402 2.167 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NC[C@@H]2C[C@H]3COC[C@@H]3N2C(=O)OC(C)(C)C)C1 2266482764 PEAXFUDMVYUZIA-ZUUULPLESA-N 463.575 2.434 30 10 JEEE CN(C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)[C@@H](CNC(=O)OC(C)(C)C)C(F)(F)F 2267093691 WXPQAKWYDPGLFI-LBPRGKRZSA-N 462.278 2.237 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)s1 2267111750 XCGWGAHUOBGOPD-GDBMZVCRSA-N 466.409 2.313 30 10 JEEE C[C@H]1[C@H](NC(=O)C(F)(F)F)[C@H](C)CCN1C(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2267164172 OFUJQLSERDEIMT-NTZNESFSSA-N 461.315 2.360 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CN(C(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)CCO1 2267170785 AHBASYWQXLVXEF-KBPBESRZSA-N 467.397 2.197 30 10 JEEE COCC(C)(C)N(Cc1ccccc1)S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2267704686 AAAQBRDCTSMZAT-UHFFFAOYSA-N 463.409 2.335 30 10 JEEE Cc1cc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)OC(C)(C)C)sc1B1OC(C)(C)C(C)(C)O1 2268648912 FYVWXLAULHAHMD-ZBFHGGJFSA-N 466.409 2.342 30 10 JEEE COc1ccc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)O)c(B2OC(C)(C)C(C)(C)O2)c1 2268653335 ZVUOEXWJRYHDDK-GUYCJALGSA-N 450.341 2.207 30 10 JEEE C[C@@H](OCc1ccccc1)[C@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(=O)O 2269038902 QGDXZWVISIAYIW-KDOFPFPSSA-N 481.401 2.384 30 10 JEEE CN(C[C@H]1CCCN(C(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)C1)C(=O)OC(C)(C)C 2281826158 DUQJCAUYBXOZEH-MRXNPFEDSA-N 462.400 2.438 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCO[C@H](CN(C)C(=O)OC(C)(C)C)C1 2281963019 GYWARIZMHWSJDG-OAHLLOKOSA-N 481.424 2.459 30 10 JEEE Cc1c(C(=O)N=[S@](C)(=O)CCN(C)C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281984041 BYAVDXXLZNZRBM-MGBGTMOVSA-N 484.428 2.133 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC1(F)CCN(C(=O)OC(C)(C)C)CC1 2282038562 KBFZGCGVFPAKEZ-UHFFFAOYSA-N 466.363 2.188 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H]1COCCN(C(=O)OC(C)(C)C)C1 2282111110 SYGHNTOETCYCEW-QGZVFWFLSA-N 463.384 2.173 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C12CCC2 2282172092 SAQWZBBETOGQQC-MRXNPFEDSA-N 458.368 2.438 30 10 JEEE C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)nn2C)CN1Cc1ccccc1 2282343339 DPLBLZLMQVHCPW-IEBWSBKVSA-N 474.436 2.003 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](O)CN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1F 2282396638 CHZSQWCXXBKYSH-HOTGVXAUSA-N 464.343 2.225 30 10 JEEE CO[C@H]1CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2F)C[C@H]1NC(=O)OC(C)(C)C 2282407963 APPUSWZLQPVLQS-MSOLQXFVSA-N 464.343 2.489 30 10 JEEE CC1(C)OB(c2cc(C(=O)N3C[C@H]4C[C@H]3CN4C(=O)C(F)(F)F)n(C3CC3)c2)OC1(C)C 2282542477 FCWXZEOYPMKGSH-LSDHHAIUSA-N 453.270 2.110 30 10 JEEE CC(C)(C)OC(=O)N1CC([S@@](C)(=O)=NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2282543106 ABNZMVRBFGVRFE-MGBGTMOVSA-N 483.371 2.377 30 10 JEEE Cn1cc(C(=O)N[C@H]2CC[C@H]3CC[C@H]2N3C(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2282551951 MZHNPITWAWTKTJ-YQQAZPJKSA-N 460.384 2.380 30 10 JEEE Cc1c(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@@H]2C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282555718 XRIQJQWIYDNNRI-HOTGVXAUSA-N 462.400 2.498 30 10 JEEE Cc1nn(C)c(C(=O)N2CC3(CC(NC(=O)OC(C)(C)C)C3)C2)c1B1OC(C)(C)C(C)(C)O1 2282567802 SSBVZZHEEBIAEU-UHFFFAOYSA-N 460.384 2.157 30 10 JEEE C[C@@H](O)CN(CCNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Cl)C(=O)OC(C)(C)C 2282605939 MQIJHSPQPDAOLA-CQSZACIVSA-N 483.802 2.382 30 10 JEEE CON(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1)C1CCN(C(=O)OC(C)(C)C)CC1 2282614280 QSAHRDROTAKALC-UHFFFAOYSA-N 464.372 2.122 30 10 JEEE CN(CC1CCN(Cc2ccccc2)CC1)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282695163 LLNHVOLUVFWXSX-UHFFFAOYSA-N 453.396 2.099 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1CN(S(=O)(=O)c1cncc(B3OC(C)(C)C(C)(C)O3)c1)C2 2282830186 QCBUNJHJCIYGHI-RDJZCZTQSA-N 479.408 2.011 30 10 JEEE Cn1cc(C(=O)N2CC(F)(F)C[C@@H]2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2296423327 ODHIVQCXLZEKDY-CYBMUJFWSA-N 470.326 2.094 30 10 JEEE Cn1ccc(C(=O)N2CCC([C@H]3CN(c4ccc(C#N)c(C(F)(F)F)c4)C[C@H]3C(N)=O)CC2)n1 2297651105 ZPHAEAPZMDZPMF-QZTJIDSGSA-N 474.487 2.401 30 10 JEEE CO[C@@H](CNC(=O)OC(C)(C)C)CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2339941464 GPPRKJKUKMIEDS-AWEZNQCLSA-N 490.453 2.174 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)Nc1cc(F)c(F)cc1B1OC(C)(C)C(C)(C)O1 2351770502 VDHHVAHRJDTERY-HNNXBMFYSA-N 456.295 2.478 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC[C@H](NC(=O)OC(C)(C)C)C(F)(F)F 2362358344 ZJTUORZQASDOOK-LBPRGKRZSA-N 476.305 2.295 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC(F)(CNC(=O)OC(C)(C)C)CC1 2362450885 DUYIKKOASLKUSP-UHFFFAOYSA-N 466.363 2.188 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)n1C 2362483766 UEALQKLRNPFDQG-ZBFHGGJFSA-N 462.400 2.403 30 10 JEEE CCOc1cccc(NC(=O)CSc2nnc(N/N=C/c3ccc(C(=O)OC)cc3)n2N)c1 20913369 QHFRGNHPQQJNJT-FSJBWODESA-N 469.527 2.354 30 10 JEEE COc1cc(/C=N/Nc2nc(SCC(=O)NCCc3ccc(F)cc3)n[nH]2)c([N+](=O)[O-])cc1O 59040058 ABWJKTIJWYWRCX-AUEPDCJTSA-N 489.489 2.463 30 10 JEEE C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(OC)cc2)S/C1=N\c1ccc(S(N)(=O)=O)cc1 101694721 STVQECJDDFDOJU-YQMDHOPXSA-N 474.564 2.489 30 10 JEEE CC(=O)OCC(=O)[C@]1(O)[C@H](C)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 119081221 ISSQQUKLQJHHOR-VNZMSZCPSA-N 452.494 2.415 30 10 JEEE N#Cc1ccc(CNC(=O)c2cc(S(=O)(=O)NCc3ccc(C#N)cc3F)c[nH]2)c(F)c1 609233653 QFQDZZZHWPEFSI-UHFFFAOYSA-N 455.446 2.445 30 10 JEEE COc1cccc(C(=O)C(C#N)=c2sc(=Cc3cnn4ccccc34)c(=O)n2C2CCN(C)CC2)c1 729669408 PDAAYRVPVWBIAT-UHFFFAOYSA-N 499.596 2.219 30 10 JEEE Nn1c(NN=Cc2ccc(O)cc2O)nnc1SCC(=O)Nc1nc2ccccc2s1 1083969344 BNPKPAAAWWXQJC-UHFFFAOYSA-N 456.513 2.190 30 10 JEEE CC(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 1127219692 GJHBJEZDCSPGKI-DYESRHJHSA-N 459.554 2.250 30 10 JEEE C#CC[C@@H]1CCCN(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3cc(C)ccc3C)CC2)C1 1130100301 DAIQWAYCNXYWKW-OAQYLSRUSA-N 459.612 2.178 30 10 JEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCN([C@H](C)c3ccc(F)cc3)C2=O)cc1 1159323849 DRMKXWXVXQPKCZ-IIBYNOLFSA-N 457.527 2.219 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](c1cccc(OC)c1)N1CCCC1 1286272341 BFAUBHBLGBAKOZ-WAOWUJCRSA-N 474.631 2.192 30 10 JEEE C#CCCCn1c(-c2cnn(C)c2)nnc1N1CCN(Cc2c(CC)nn(C)c2Cl)CC1 1286347466 MWKDMASOWBLLPG-UHFFFAOYSA-N 455.998 2.364 30 10 JEEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC[S@](=O)C(C)(C)C 1286379437 RPCPOIFCCQCWNE-YTTGMZPUSA-N 456.660 2.259 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCOC2)n1CCOc1ccc(S(C)(=O)=O)cc1 1286431895 SIMNOJANXBTWOK-LJQANCHMSA-N 456.568 2.118 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1CCCN(C(C)=O)C1 1286456983 BZQSTTXSIJIMRW-FQEVSTJZSA-N 487.004 2.206 30 10 JEEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1286607596 SFUYIIYDLNCISN-SFHVURJKSA-N 452.563 2.274 30 10 JEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(Cc2ccccc2C)CC1 1286700153 KKGQUSCVMNQKJF-JOCHJYFZSA-N 488.658 2.208 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1286820452 LRASGJCYWULNTE-RBUKOAKNSA-N 475.619 2.016 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)C(C)C)CC1 1286821658 RMRPPMDWMAQEIL-UHFFFAOYSA-N 459.616 2.083 30 10 JEEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCC(n2ccc(C(F)(F)F)n2)CC1 1286822503 FFBTZRQPTIWISX-UHFFFAOYSA-N 476.525 2.472 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1C[C@@H]1CCCN1Cc1ccccc1 1288773030 HWWKYMUMYDACIO-HBFSDRIKSA-N 459.620 2.291 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@H](OC)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1300501878 NYWVVUNVNDNGDP-VXKWHMMOSA-N 482.610 2.154 30 10 JEEE C#CCN1CCN(c2nnc(-c3cnccn3)n2Cc2cc(Cl)c(OC)c(OC)c2)CC1 1300696313 XKTPFOXTKDRDHH-UHFFFAOYSA-N 453.934 2.209 30 10 JEEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1Cc1ccccc1 1300764640 ZIUVTYHZBCCXAC-NHCUHLMSSA-N 489.667 2.189 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1300988594 HCYBNVQFVBBSGY-FCHUYYIVSA-N 474.650 2.288 30 10 JEEE C=CCCOCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(C(=O)OCC)CC1 1301253286 XTPMNBVQACZTKK-UHFFFAOYSA-N 467.530 2.465 30 10 JEEE C#C[C@H](NS(=O)(=O)c1ccc(S(=O)(=O)NCC(F)(F)F)cc1)c1ccc(F)cc1 1309524646 WXEYEPNBOJBCIT-INIZCTEOSA-N 450.435 2.319 30 10 JEEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(Cl)c2SCC(F)F)CC1 1310305331 VRPGFRMZRVRZLZ-UHFFFAOYSA-N 452.936 2.314 30 10 JEEE C#CCN(c1nnc(C)n1C[C@@H](c1ccc(OC)cc1)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1358957739 ZLBQCBWHWPXLKK-UNMCSNQZSA-N 457.600 2.059 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2CC2(OCCOC)CCOCC2)CC1 1359036598 AWEYSLWREWGVCB-UHFFFAOYSA-N 467.614 2.145 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2Cc2ccc(C[S@@](C)=O)cc2)CC1 1359044736 NEXFWQHGAMVYMI-GMWXTNTRSA-N 483.638 2.412 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1359084044 WUXWHRITKTXOPK-KFKAGJAMSA-N 481.439 2.070 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(Cl)c(OC)c2)CC1 1359165510 QQGJQFSOPRMHSB-IBGZPJMESA-N 482.006 2.478 30 10 JEEE CC(C)C(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2CCS(=O)(=O)CC2)CC1 1359614497 HCRVYZFDAFZVQH-UHFFFAOYSA-N 484.626 2.336 30 10 JEEE CC[C@H](C)[C@@](C)(O)Cn1c(-c2cccn2C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1494894947 BXBUCOASAQVBLA-RHGYRFJNSA-N 463.590 2.457 30 10 JEEE N#C[C@@]1(F)CCN(c2nnc(CNC(=O)c3cccs3)n2CC(=O)Nc2ccc(F)cc2)C1 1505317399 GJIVDPLEUOXTSM-NRFANRHFSA-N 471.493 2.489 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OCC)CCOC3)n2C[C@H]2CCOC[C@@H]2OC)c1 1507549497 GTLBRVPQYBHBJF-QTISVLPJSA-N 497.596 2.038 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CCc1ccc(F)cc1C)[C@H]1CCS(=O)(=O)C1 1507628591 XRVBJUCOQTUIPG-URXFXBBRSA-N 490.601 2.247 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1507628952 ZCOYZHMKNLWVFA-OALUTQOASA-N 474.583 2.158 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCN1CCCC(C)(C)C1 1507644153 ASEOWIMOGUOAKX-UHFFFAOYSA-N 482.654 2.390 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Br)c3)n2Cc2cnn(C)c2)CC1 1507736023 JXDOLOPCWVZKAM-UHFFFAOYSA-N 482.386 2.455 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCc2ccn(C)n2)CC1 1507737159 ZDBQSMCHIJGSQA-GOSISDBHSA-N 479.560 2.499 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(N2CCN(S(=O)(=O)Cc3ccon3)CC2)nnc1C(C)(C)C 1507808493 GXVQKJBQWRGLRO-IEBWSBKVSA-N 478.619 2.197 30 10 JEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(c2nccs2)CC1 1507954840 QKWFJDYYWNUAKM-QGZVFWFLSA-N 466.633 2.418 30 10 JEEE C=CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1507956521 ATWQFNCVSHDFPM-NSHGMRRFSA-N 457.579 2.366 30 10 JEEE C=CCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC(S(=O)(=O)CC)CC1 1508062785 OBPZIJVFVMHFLG-UHFFFAOYSA-N 472.659 2.232 30 10 JEEE CC(=O)N1CCc2c(sc(NC(=O)c3nn(C)cc3I)c2C#N)C1 1533853171 LMNSNGPARRLWBC-UHFFFAOYSA-N 455.281 2.115 30 10 JEEE C=CCN1CC[C@H](N(C)C(=O)c2sccc2S(=O)(=O)N2CCc3ccccc3C2)C1=O 1538451588 LGGOAXPKRYXWPX-SFHVURJKSA-N 459.593 2.354 30 10 JEEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CCN2[C@@H](C)CC[C@@H]2C)CC1 1539088912 ABYNPANLADICQM-SFTDATJTSA-N 464.618 2.334 30 10 JEEE C#CCCCn1c(N2CCN(C[C@@H](O)c3ccccc3)CC2)nnc1[C@]1(OCC)CCOC1 1539139255 CFDFMDXGQGTSFF-RDGATRHJSA-N 453.587 2.199 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(F)cn1)[C@H]1CCS(=O)(=O)C1 1539213274 XOLYSDKSGNZDMZ-FQEVSTJZSA-N 450.499 2.026 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1CCCNC(=O)C1CCC1)[C@@H]1CCS(=O)(=O)C1 1539218886 FPVMCQRMQHABEF-JOCHJYFZSA-N 483.638 2.110 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1OCCC1(C)C 1539400000 XBCGLKJBHYLABR-HXUWFJFHSA-N 475.615 2.097 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@H]2CC(F)(F)CO2)CC1 1539489253 SRUDQSGQILSVDM-HXUWFJFHSA-N 489.523 2.256 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccn2C)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1539627368 JMRLRTJVDGMQTP-DYXWJJEUSA-N 477.631 2.295 30 10 JEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 1539721392 ALKWHNOUKYDGOR-UHFFFAOYSA-N 499.591 2.007 30 10 JEEE C=C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1539836207 PMDNNAZORXIUSK-KRWDZBQOSA-N 464.613 2.330 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCS(C)(=O)=O)CC1 1539890381 NPBVXWFTVXUBQO-KRWDZBQOSA-N 469.608 2.034 30 10 JEEE C=CCn1c(N(CCCOC)[C@H]2CCS(=O)(=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1540860910 SCXHGJDNOOMKIN-KSZLIROESA-N 483.635 2.265 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2OCC)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1540875552 PMBDNQSDIJNNDC-OSWQYVSFSA-N 485.585 2.331 30 10 JEEE CC(C)(C)OC(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1541218835 HYQDBTPAERQNOK-SFHVURJKSA-N 474.587 2.355 30 10 JEEE CC(C)OC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCOC[C@H]2C)CCO1 1541748038 CQNCMFRMSVYOCM-OFNKIYASSA-N 484.601 2.080 30 10 JEEE C[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1544157098 GYTAYFZABIUJLJ-HKUYNNGSSA-N 458.588 2.247 30 10 JEEE COCCCNC(=O)N1C[C@H](C(N)=O)C2(CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)C1 1548375153 DULNMMQCLLOPDX-GOSISDBHSA-N 467.492 2.327 30 10 JEEE COCCN(Cc1ccc(C)o1)c1nnc(-c2ccc(C#N)cc2)n1CC1(O)CCS(=O)(=O)CC1 1555546668 DKKCPDAGTCLRHO-UHFFFAOYSA-N 499.593 2.311 30 10 JEEE COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1c(F)cccc1Cl 1555557960 HVJZLCHOUJMTPX-CQSZACIVSA-N 455.943 2.387 30 10 JEEE C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1 1562143249 SZZABAMXKMJGOB-AVRDEDQJSA-N 478.615 2.410 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCN1CCCS1(=O)=O 1588099229 KHGMXAVKUVQAHU-KRWDZBQOSA-N 457.625 2.240 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1nc(C)cs1 1588138742 IJXWKFGEYXPLLJ-KRWDZBQOSA-N 456.572 2.473 30 10 JEEE C#CCSCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC(C(N)=O)CC1 1589070463 TVVVLPADVWGDEU-UHFFFAOYSA-N 476.647 2.461 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccc(OC)cc2)nnc1N1CCN(C(=O)NC)CC1 1589567227 CAASOZPNDKYHSG-XMSQKQJNSA-N 470.574 2.308 30 10 JEEE C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)Cc2cccc(OC)c2)CC1 1594616166 ORFYHOWQAYDLLX-OAQYLSRUSA-N 466.586 2.485 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(CN2CCOCC2)CC1 1595489794 IWFABSXXWMJRRN-UHFFFAOYSA-N 458.994 2.449 30 10 JEEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1595831479 QUAMIFOVARCMCK-QGZVFWFLSA-N 471.624 2.251 30 10 JEEE CCNC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(C)(F)F)CC1 1615951997 FEQVIRXGKWOMMC-UHFFFAOYSA-N 461.517 2.032 30 10 JEEE CCOC(=O)N[C@H](CC(C)C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1 1616010771 GWYIWJQMIWDUJK-LJQANCHMSA-N 483.573 2.216 30 10 JEEE CCOC(=O)CCc1c(C)n(C)n(-c2c(F)c(F)c(-n3ncc(C#N)c3N)c(F)c2F)c1=O 1616049141 YFLCKNHGIIZTMS-UHFFFAOYSA-N 466.395 2.176 30 10 JEEE CNC(=O)CCn1c(-c2ccccn2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1618795162 DJPJQTFMLNNYSR-UHFFFAOYSA-N 450.934 2.328 30 10 JEEE C=CCn1c(SC2CC(OC)C2)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 1643494994 HZRFIOMYEGNRML-UHFFFAOYSA-N 450.586 2.422 30 10 JEEE CN(CCNS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N)S(=O)(=O)c1cccs1 1654676778 AMIVKCOQOAAGQU-UHFFFAOYSA-N 453.489 2.238 30 10 JEEE C=CCn1cc2ccc(NC(=O)N3CCN(S(=O)(=O)NCc4ccccc4)CC3)cc2n1 1674581105 QJJRJMQLGUYMRH-UHFFFAOYSA-N 454.556 2.406 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OCC)CCOC3)n2CC2(N(C)C)CCC2)c1 1689868447 HJGVFMLTHDWEMK-AREMUKBSSA-N 480.613 2.471 30 10 JEEE C#CCCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1689878597 OJCVANJXVNXBEC-UHFFFAOYSA-N 463.542 2.353 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccccc2OC)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1690041850 LHJTUMCLIJKTTG-JOCHJYFZSA-N 462.598 2.359 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCCC)CC1 1690146130 GQOFFCIZKYYXBC-UHFFFAOYSA-N 450.591 2.218 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1690156370 WNBYOZZFQSMCNE-GOSISDBHSA-N 467.599 2.034 30 10 JEEE C#CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CC#C)CC1 1690186389 OYUOQBNFHDSGQC-IBGZPJMESA-N 458.632 2.472 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOC)[C@@H](CCC)C1 1690245560 JWRGKOAZKDXUOU-CZYKHXBRSA-N 495.690 2.099 30 10 JEEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)CC2CCCCC2)CC1 1690328005 CIVTYZBFIQAFIC-MRXNPFEDSA-N 473.043 2.260 30 10 JEEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1690497789 WSJRMHNPLRAENP-HSZRJFAPSA-N 466.546 2.004 30 10 JEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(OCc2ccccc2F)CC1 1690644586 UVOMWZJAGFAZNP-HXUWFJFHSA-N 479.578 2.122 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 1690670748 IGKBEEFTRYZADL-LSDHHAIUSA-N 453.469 2.141 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCC2(CC1)OC(=O)NC21CCC1 1690715837 VYNHXGQSDQCXDG-MRXNPFEDSA-N 451.593 2.394 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCC(NC(=O)C2CC2)CC1 1690720460 JZHAKRNGSIAKJN-UHFFFAOYSA-N 457.600 2.349 30 10 JEEE C#CCCCCn1c(-c2cccc(C)n2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1705514883 LPEKMCMFCBFJCH-UHFFFAOYSA-N 482.614 2.005 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1CCN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1705560818 KTWWPHJVFTZRCF-HXUWFJFHSA-N 487.626 2.075 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H](c1ccccc1Cl)N(C)C)[C@@H]1CCS(=O)(=O)C1 1705565475 ILXQGDOZYVTTFG-OPYAIIAOSA-N 492.045 2.365 30 10 JEEE C#CCN(c1nnc(COc2ccc(Br)cc2)n1CCOCC)[C@@H]1CCS(=O)(=O)C1 1705568674 SOGKCBCEDPGPPJ-QGZVFWFLSA-N 497.415 2.283 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CCOc1ccc(F)c(F)c1)[C@H]1CCS(=O)(=O)C1 1705569825 KJOUZTMEMPNECM-SFHVURJKSA-N 487.532 2.248 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCCC(=O)N(C)C)CC1 1705645067 KJSOYCMWFLJZQY-GOSISDBHSA-N 484.576 2.391 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCN(CC(C)C)C1 1705668240 HIZCIJJQUIHORW-XQBPLPMBSA-N 450.653 2.248 30 10 JEEE C=C(C)Cn1c(COc2ccccc2OCC)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1705729752 UMTLOOYRYMYGKU-UHFFFAOYSA-N 451.531 2.419 30 10 JEEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1705739403 FLEQKEYRXSIINJ-QHCPKHFHSA-N 454.579 2.218 30 10 JEEE C=CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCN1CCCS1(=O)=O)C1CC1 1705848256 PESAGATVXRQWFT-UHFFFAOYSA-N 458.588 2.338 30 10 JEEE C=CCn1c(-c2cc(Br)cn2C)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1705886245 FNGKWVGCQOPXRS-UHFFFAOYSA-N 476.423 2.367 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1705935976 HJMOXWZZKLHWHN-GOSISDBHSA-N 490.586 2.008 30 10 JEEE CC(C)Cc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC1(S(C)(=O)=O)CCCC1 1706418000 DYDIWKGECQIGRR-UHFFFAOYSA-N 471.631 2.427 30 10 JEEE CCOc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCc2cnn(C)c2)cc1OC 1710519937 FGVDHRUYQPYVQO-LJQANCHMSA-N 451.531 2.447 30 10 JEEE CN(C)C(=O)[C@H]1CCCN1CCCn1c(COc2ccccc2F)nnc1N1CC[C@@](F)(C#N)C1 1710973579 AGGRYCSIBUENHX-NTKDMRAZSA-N 487.555 2.381 30 10 JEEE C#CCCCn1c(CCOc2ccccc2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1722338639 KECBFGINVQVSRB-UHFFFAOYSA-N 451.571 2.388 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCNC(=O)OC(C)(C)C 1722371322 VKHNMDDNHDECEE-UHFFFAOYSA-N 470.961 2.459 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@H]1CCS(=O)(=O)C1 1722377392 ZBUCUXCKPQONRF-OAHLLOKOSA-N 477.384 2.224 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1CCCNC(=O)c1cccc(O)c1 1722383910 ZHYVWKXWTDGOBX-UHFFFAOYSA-N 467.533 2.115 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C 1722419393 ZSDOWPKCVMXBIT-SFHVURJKSA-N 462.595 2.149 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H]2CCSC2)CC1 1722436767 FGHJIONPKFJWLG-RTBURBONSA-N 476.647 2.095 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2c(Cl)cccc2OC)CC1 1722442183 ZZXHORSWOYDHSH-UWJYYQICSA-N 459.978 2.468 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(CN2CCOCC2)CCCCC1 1722467342 RGCOFWHQFXVGKE-NFBKMPQASA-N 492.690 2.163 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@](C)(C(N)=O)C1 1722495863 UICCIXIMMSZAQN-HFJQGTKSSA-N 473.599 2.032 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1722511127 WYOWSEQWEYENEQ-OGWOLHLISA-N 453.634 2.484 30 10 JEEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC=C(Br)C1 1722698274 XWYQQGGVDDAPMU-UHFFFAOYSA-N 470.331 2.385 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@](C)(C#N)C1 1722699067 QUNRWJAGLOEEJO-UZUQRXQVSA-N 473.578 2.019 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1722724391 VQVVBOOBSWZRCQ-XXBNENTESA-N 457.600 2.137 30 10 JEEE COCCN(CCC#N)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCc1ccncc1 1730762377 FNYVWMWUJKFMFW-UHFFFAOYSA-N 458.526 2.196 30 10 JEEE CS(=O)(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC=CO2)C1 1731013604 ARRLBBZHIPEQTQ-UYAOXDASSA-N 456.572 2.275 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H](OC)c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1740620659 GGUQBHHJLWOPEA-UYAOXDASSA-N 457.531 2.427 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@H](OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1740621094 TUENDVMNRSPEHK-UWJYYQICSA-N 474.583 2.014 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CCC(=O)NC(C)(C)C)CC1 1740692906 RBDBHTLEHRDTDS-UHFFFAOYSA-N 460.586 2.395 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCCN2CCCC[C@H]2C)CC1 1740693186 UPPCAWWYUDEKRG-RDGATRHJSA-N 458.651 2.338 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H]2CC=CCO2)CC1 1740702438 OVGVKLDANXIYFH-OAQYLSRUSA-N 496.999 2.172 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOCC)[C@H](CC)C1 1740745612 ZJOWWRMHHIXAPR-IAGOWNOFSA-N 490.468 2.026 30 10 JEEE C=C(Br)Cn1c(Cc2ccccc2F)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1740745757 DPANOOAZOJNAQN-INIZCTEOSA-N 477.338 2.389 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC=C(C(F)(F)F)CC1 1740953905 VFWFESQZJXTXKY-UHFFFAOYSA-N 498.531 2.196 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1740959505 XXKBDUFXKFGZJV-SJORKVTESA-N 470.578 2.167 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1740961346 AFTXBRSVVPYLDK-UHFFFAOYSA-N 495.672 2.175 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)c2ccccc2)CC1 1740990446 VAADKCQCAVEGTE-UHFFFAOYSA-N 480.594 2.212 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(CC)Cc1c[nH]c2ccccc12 1740991441 WTNMAUOXCWMMKR-IBGZPJMESA-N 456.572 2.338 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1Cc1ccc(N(C)C)c(F)c1)[C@H]1CCS(=O)(=O)C1 1748812215 SLMKTOUOYQAKAX-SFHVURJKSA-N 470.574 2.164 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1CCN1CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1748821035 LMAKDYIWJUFBSX-UYAOXDASSA-N 461.657 2.289 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@]1(O)CCS(=O)(=O)C1 1748868470 XNRJKFYFNUZCPA-HYBUGGRVSA-N 470.595 2.047 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2cccc(F)c2)CC1 1749003291 DTRILAMJSGYPFC-DEOSSOPVSA-N 455.534 2.083 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@](C)(O)c2ccsc2)CC1 1749010147 OHJPQDLBFKPUBP-WMZHIEFXSA-N 457.600 2.455 30 10 JEEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCCN(c2nccc(OCC)n2)CC1 1749038986 NPLKHFYVILOUAA-GOSISDBHSA-N 457.604 2.054 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)c[nH]2)n1CCN1CCCS1(=O)=O 1749056925 YXGWBNVYWVNICE-GOSISDBHSA-N 467.393 2.063 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Br)n1C[C@@]1(O)CCS(=O)(=O)C1 1749060742 BBLRSCRGBYRSFW-UXHICEINSA-N 479.400 2.249 30 10 JEEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2ccc(OC)cc2C1 1749085785 FKLRHUBFLFZQNG-CYBMUJFWSA-N 470.393 2.368 30 10 JEEE C=C(Br)Cn1c(-c2cc(Br)cn2C)nnc1N1CCN2C(=O)NC[C@@H]2C1 1749086407 KMCLOBUPRUJCAZ-GFCCVEGCSA-N 485.184 2.169 30 10 JEEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 1749097547 CNHWPABJBONPTB-MRXNPFEDSA-N 477.338 2.126 30 10 JEEE C=C(C)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1749200739 OZWRDLVQRDXLKY-SFHVURJKSA-N 450.547 2.180 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN2C(=O)NC[C@H]2C1 1749230035 SZKPTMUHYACSRQ-MOPGFXCFSA-N 489.621 2.199 30 10 JEEE C=CCC(C)(C)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1749375801 HWYJWTBGJLQUFF-UHFFFAOYSA-N 493.616 2.412 30 10 JEEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1749604276 GMNYXGSYKANKOK-SFHVURJKSA-N 479.006 2.052 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N(C)C[C@@H]1CCCCO1 1749652702 RFFBJGQUNNQOJV-HNNXBMFYSA-N 451.369 2.354 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 1749657713 BNTSUWBAIMAWNB-XUZZJYLKSA-N 487.612 2.372 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCC(=O)NC(C)(C)C)C1 1749696845 XJBRDAFRDXIXAN-GOSISDBHSA-N 475.615 2.435 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCN(C3CCC3)C[C@H](C)C2)nnc1[C@]1(OC(C)C)CCOC1 1749739657 ISMDGMDYZCCANK-RDPSFJRHSA-N 495.690 2.230 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCN1CCOCC1(C)C 1760096385 KVXYIYPAZATTRT-KRWDZBQOSA-N 458.994 2.430 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OCC(F)(F)F)cc1 1760098044 NPCWWMPUWKFQIN-KGLIPLIRSA-N 459.494 2.336 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2Cc2ccc(N(C)C)nc2)c1 1760127083 QAUZLFTYQYPQJL-UHFFFAOYSA-N 486.580 2.080 30 10 JEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc(OCC)n2)CC1 1760138312 WHOKCYFZDIUQAT-LJQANCHMSA-N 472.615 2.104 30 10 JEEE C#CCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1760159092 ZEALTOTWCFOOQF-UHFFFAOYSA-N 456.934 2.445 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1Cc1ncnn1C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1760192308 SNALLBYDYUIMCQ-LJQANCHMSA-N 497.625 2.187 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCn2ccnc2C)CC1 1760254614 CLZLILQJJCNBMW-UHFFFAOYSA-N 457.380 2.386 30 10 JEEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2C[C@H](C(C)C)N2CCOCC2)CC1 1760261942 XIKVIILGZBMQIF-XMMPIXPASA-N 466.630 2.012 30 10 JEEE C=C(C)COCCn1c(-c2cc(Br)cn2C)nnc1N1CCN(C(=O)NC)CC1 1760350405 HBZQHUYOFVVTAQ-UHFFFAOYSA-N 466.384 2.100 30 10 JEEE C=CC1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1760397841 DKILLIWZGACRHC-DENIHFKCSA-N 467.636 2.145 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(=O)N2CCCC2)n1C[C@@]1(O)CCO[C@H]1C 1760475849 WXAMALLBMYUJQV-UUOWRZLLSA-N 455.559 2.255 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@H](COC)C1 1760515279 UXXLWNVPYMXXTN-KRWDZBQOSA-N 460.966 2.027 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCCN(CC(F)(F)F)CC1 1760519701 MNGREYQJCADETF-UHFFFAOYSA-N 482.507 2.339 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@](C)(O)c2cc(C)oc2C)C1 1760541984 IZHYXIHWEQPLIP-HMFYCAOWSA-N 464.588 2.079 30 10 JEEE CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H](c1ccco1)N(C)C 1765012737 GFXWUVSSTXJCQA-UXHICEINSA-N 463.542 2.339 30 10 JEEE CCOc1c(OC)cc(Cn2c(Cc3cccnc3)nnc2N2CCO[C@H](C#N)C2)cc1OC 1765949514 AVYNVTKMTPLSDU-LJQANCHMSA-N 464.526 2.457 30 10 JEEE CCS(=O)(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2cccn2)CC1 1766706855 FEWFBOVEPBBVJM-UHFFFAOYSA-N 468.587 2.012 30 10 JEEE CNC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCC[C@@H]2C)C1 1769215323 BORNFFUVKUDYOY-PDOGEWKWSA-N 452.559 2.242 30 10 JEEE COc1ccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2CCCNC=O)cc1OC 1862759626 WBTNWKFCPMABIJ-HXUWFJFHSA-N 469.450 2.326 30 10 JEEE CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](C)NC(=O)C2CCN([C@@H](C#N)c3cccs3)CC2)C1 1868781830 AUFCBYGSUYHUFH-UHOSZYNNSA-N 460.600 2.331 30 10 JEEE CC(=O)N(CCN)C(=O)[C@H](NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1)c1ccccc1 1868794842 GZXXCSOXNAPAFN-RBBKRZOGSA-N 467.595 2.216 30 10 JEEE C=CCn1cc(OCC(=O)NCc2ccco2)c(=O)cc1CN1CCN(c2ccccn2)CC1 1870538126 YKIQAVVESPXTKT-UHFFFAOYSA-N 463.538 2.040 30 10 JEEE C=CCn1cc(OCC(=O)OCCCCC)c(=O)cc1CNc1ccc(S(N)(=O)=O)cc1 1870844827 VLFRTWKBZFMCKW-UHFFFAOYSA-N 463.556 2.406 30 10 JEEE CN1CCN(CC#CCOC2CCN(C(=O)c3cc(N4CCCCCC4)ccn3)CC2)CC1 1889424290 IQRMQWNJIVQZQH-UHFFFAOYSA-N 453.631 2.334 30 10 JEEE COc1c2ccc(C(=O)N3CCC(OCC#CCN4CCN(C(C)C)CC4)CC3)cc2nn1C 1889597227 ZOZMQYAKRRYVDX-UHFFFAOYSA-N 467.614 2.233 30 10 JEEE CN(c1cc(C#N)ccn1)C1CCN(C(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)CC1 1891282025 HFPQYEIYEJLCCU-SFHVURJKSA-N 461.522 2.205 30 10 JEEE C[C@H](C(=O)N1CCC(CN(C)c2ncccc2C#N)CC1)N(c1ccccc1)S(C)(=O)=O 1892124968 BEJGYIRTDGBAKA-GOSISDBHSA-N 455.584 2.483 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](O)CN(C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)C1 2060127262 GTQFJUYRPRTUBT-IXDOHACOSA-N 454.568 2.450 30 10 JEEE CC1(C)[C@@H](O)CC[C@]2(C)C3=C([C@@H](O)C[C@@H]12)[C@]1(C)C(=O)C[C@H]([C@](C)(O)C[C@@H]2OC2=O)[C@@]1(C)CC3=O 2069566417 HNPBELHZISIXLS-WFCFWYIGSA-N 474.594 2.492 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CC(C(=O)NCc2cccc(B3OC(C)(C)C(C)(C)O3)c2)=C[C@H]1O 2188032569 RCJKHJNPDCJYIG-RTBURBONSA-N 458.364 2.186 30 10 JEEE CC(C)(C)OC(=O)NC1[C@H]2CN(S(=O)(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)s3)C[C@H]12 2255777009 FADIPUDCDYBSOR-STQMWFEESA-N 470.422 2.191 30 10 JEEE Cc1csc(C(=O)NC[C@](C)(CO)NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2255837509 QJHUMYWVIDPYTD-OAQYLSRUSA-N 454.398 2.361 30 10 JEEE CC(C)(C)OC(=O)N[C@](C)(CC(F)F)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2256602356 YOUCYGKBKYNFDD-GOSISDBHSA-N 462.328 2.136 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](F)C[C@@H]1C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2256619891 BTUBIRAZKFUUGZ-GXTWGEPZSA-N 455.361 2.406 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCO[C@H]2[C@@H]1NC(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2267287291 UVELIRRPHGWICG-LCGIIJARSA-N 464.393 2.458 30 10 JEEE C[C@H]1[C@H](NC(=O)OC(C)(C)C)CCN1S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2267378381 OMCOCRDJRIEROS-WMLDXEAASA-N 467.397 2.057 30 10 JEEE C[C@H]1[C@H](NC(=O)C(F)(F)F)[C@H](C)CCN1C(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2267484548 GYXSXHBSIREQPC-GRYCIOLGSA-N 461.315 2.360 30 10 JEEE CN(CC(C)(C)CNC(=O)OC(C)(C)C)C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2267515840 UTACBMSCTLTLTA-UHFFFAOYSA-N 450.389 2.342 30 10 JEEE CN(C[C@H]1CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)CCO1)C(=O)OC(C)(C)C 2267554701 DJKBPXNAZRHDTJ-HNNXBMFYSA-N 450.341 2.287 30 10 JEEE CC1(C)OB(c2ccsc2S(=O)(=O)N2CCC[C@H](CNC(=O)C(F)(F)F)C2)OC1(C)C 2267712673 XUGYBTBTARWPHE-GFCCVEGCSA-N 482.355 2.127 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2268648915 FZELTFAUICAKAM-OAHLLOKOSA-N 451.304 2.094 30 10 JEEE CC(C)(C)OC(=O)N1CCN(c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C[C@H]1CCO 2269004072 GQKZEHXBSZKLOZ-MRXNPFEDSA-N 451.348 2.328 30 10 JEEE CC(C)(C)OC(=O)NC1(CO)CCN(c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)CC1 2269009342 HUTJOUJZJVIOQI-UHFFFAOYSA-N 451.348 2.376 30 10 JEEE Cc1cc(S(=O)(=O)N[C@H](COCc2ccccc2)C(=O)O)sc1B1OC(C)(C)C(C)(C)O1 2269026656 ORBVJWBDMZTLAJ-MRXNPFEDSA-N 481.401 2.304 30 10 JEEE C[C@H](OCc1ccccc1)[C@H](NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2269029375 AYNJNBYIVGECBG-YOEHRIQHSA-N 481.401 2.384 30 10 JEEE CCc1nn(C)c(C(=O)NC[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2281987415 YNEVIEFHKAROPP-OAHLLOKOSA-N 462.400 2.269 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@]2(CCN(C(=O)c3occc3B3OC(C)(C)C(C)(C)O3)C2)C1 2282036805 NQNIPOQNSQNCPW-HSZRJFAPSA-N 462.352 2.431 30 10 JEEE Cc1ccc(S(=O)(=O)N2CC[C@@](C)(NC(=O)C(F)(F)F)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2282307576 FCRQYPWNBOZHJB-LJQANCHMSA-N 476.326 2.126 30 10 JEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)CN1C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282551660 LHPIFLFWEIEOBH-HOTGVXAUSA-N 462.400 2.437 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)[C@@](C)(CO)C1 2282648963 UWDADKHAELETRJ-XMMPIXPASA-N 460.380 2.430 30 10 JEEE CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)C(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2282676518 LVWZCUIZBHUMJS-VWLOTQADSA-N 451.376 2.090 30 10 JEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCC(CNC(=O)C(F)(F)F)CC1 2282825799 NDMNODCMBYDYSP-UHFFFAOYSA-N 496.382 2.435 30 10 JEEE CN(C1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282835243 RCXYEFZTKRNCQS-KBPBESRZSA-N 499.464 2.069 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H](CO)C(=O)N1CCc2cccc(B3OC(C)(C)C(C)(C)O3)c2C1 2284049158 RKSMTCFJZAPICL-KRWDZBQOSA-N 460.380 2.004 30 10 JEEE CC(C)(C)OC(=O)N[C@]1(C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)C[C@H](O)C1(C)C 2284056883 QESGKBVPPLVXFM-FPTDNZKUSA-N 481.424 2.113 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@@]2(C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)C1 2284069238 NVSRQWLSBJYGGR-WNSKOXEYSA-N 459.352 2.345 30 10 JEEE Cc1cnc(C(=O)N[C@H](COCc2ccccc2)CC(=O)O)c(B2OC(C)(C)C(C)(C)O2)c1 2284452912 DJQDLOTYNAOBHC-SFHVURJKSA-N 454.332 2.479 30 10 JEEE C[C@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)CC2(CN(C(=O)OC(C)(C)C)C2)O1 2288586765 URAHNZZZLHEQMY-HNNXBMFYSA-N 461.368 2.164 30 10 JEEE CC1(C)OB(c2csc(S(=O)(=O)N[C@@H](CCO)COCc3ccccc3)c2)OC1(C)C 2320500468 TUFXJUMXGGMJCP-SFHVURJKSA-N 467.418 2.293 30 10 JEEE C=CC1(N[C@]2(C(=O)O)CN(C(=O)OC(C)(C)C)[C@]3(CCOC3)C2)CN(C(=O)OC(C)(C)C)C1 2350975376 DXBYFETXNAPAGV-PKTZIBPZSA-N 467.563 2.375 30 10 JEEE Cc1ccc(S(=O)(=O)/N=C(/CN2CCCC2)NCCNS(=O)(=O)c2ccc(C)cc2)cc1 13147411 CAPDANIYHPPRLZ-UHFFFAOYSA-N 478.640 2.055 30 10 JEEE COc1cc(NC(=S)/N=C(/NCC(OC)OC)Nc2nc(C)cc(C)n2)cc(OC)c1OC 14155938 GJBLMNWSPMIEGD-UHFFFAOYSA-N 478.575 2.493 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)N(CCCC)c3c(N)n(CC(C)C)c(=O)[nH]c3=O)cc2C1=O 14720159 JZLJNDRMNQRBPN-UHFFFAOYSA-N 467.526 2.004 30 10 JEEE CC(C)n1cc(/C=N/Nc2nc(SCCC(=O)Nc3ccc4c(c3)C(=O)NC4=O)n[nH]2)cn1 20911108 WACGAXVDQOEIPD-ODCIPOBUSA-N 467.515 2.033 30 10 JEEE COc1cc(NC(=O)COC(=O)CO/N=C(/C)c2ccc3c(c2)OCO3)cc(OC)c1OC 59487377 UUHKXVZEVGMDOD-CFRMEGHHSA-N 460.439 2.364 30 10 JEEE C=CCn1c(=O)c(N2CCC(NC(=O)N[C@H](Cc3ccccc3)C(=O)OC)CC2)nc2cccnc21 64579404 TXSPAQDROCSTEB-OAQYLSRUSA-N 490.564 2.030 30 10 JEEE N#C[C@@H]1C(=O)Nc2nc(N3CCC4(CC3)OCCO4)[nH]c(=O)c2[C@H]1c1cccc2ccccc12 72444432 BXCXTLHAZRQDGP-OALUTQOASA-N 457.490 2.490 30 10 JEEE C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](Sc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 204865018 HKPBKBKNZZUJJN-GDBMZVCRSA-N 478.424 2.382 30 10 JEEE C=CCNC(=O)CN1CCN(C(=O)c2ccccc2N(C)C(=O)c2ccc(Br)o2)CC1 492290958 PDUSTRCUDYHLJT-UHFFFAOYSA-N 489.370 2.379 30 10 JEEE CCc1ccc(-n2c(=C(C#N)C(=O)NCC(C)C)sc(=Cc3cnn4ccccc34)c2=O)cc1 729668303 FZLATKSIVBRGTN-UHFFFAOYSA-N 471.586 2.384 30 10 JEEE COc1ccccc1-n1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2cnn3ccccc23)c1=O 729670877 OOSIXMWUVPVEGV-UHFFFAOYSA-N 485.569 2.117 30 10 JEEE C#Cc1cccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2[C@H]2CCN3CCC[C@@H]3C2)c1 730443973 TUANIBLKYUATHO-BHIFYINESA-N 467.639 2.294 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2ccc(S(=O)(=O)C[C@H]3CCCO3)cc2)ccc1F 731337968 JWBRDLAAAGDJSI-QGZVFWFLSA-N 482.555 2.495 30 10 JEEE C[C@H](NC(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c1cccc(C#N)c1)c1cc2ccccc2o1 853721660 HXNYZKUCZOBQQJ-LSDHHAIUSA-N 455.492 2.392 30 10 JEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cnc(-c3ccccc3)nc2)c(=O)n1-c1ccccc1C 917771421 JVQXGYFQQSPRSI-UHFFFAOYSA-N 479.565 2.470 30 10 JEEE C=CC[C@@H](CO)CNC(=O)c1cccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c1 1152930192 MDPIRJOMMVXGNB-OAQYLSRUSA-N 457.596 2.108 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCOC[C@H]1OC 1286295450 IYIDLHGEKKJCJV-CADBVGFASA-N 463.579 2.096 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1CC[C@@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1286388338 NPJHDECBGZERLC-DLBZAZTESA-N 482.965 2.170 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCN1CCCCCC1=O 1286461977 AXVYOHYOCIFISU-UHFFFAOYSA-N 491.596 2.071 30 10 JEEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2C[C@H](c2cccc(OC)c2)N(C)C)CC1 1286481972 LHTILZNWKMIVBX-XMMPIXPASA-N 459.598 2.331 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H]2CCCOC2)CC1 1286487242 SZVOYUBSNDYCQK-IBGZPJMESA-N 499.015 2.254 30 10 JEEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1286542862 DEOPCEIETNRRPA-KHYOSLBOSA-N 454.369 2.082 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CCOCC)[C@H](CC)C1 1286546715 LGCCJLLANICJCD-VSKRKVRLSA-N 474.650 2.432 30 10 JEEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)c1nccs1 1286628440 ANXFBIUKBGLLAT-GXTWGEPZSA-N 461.013 2.060 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCCCN2CCC)CC1 1286663148 HAAOXDJSXJTFCX-SFTDATJTSA-N 480.679 2.278 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccccc1C(F)(F)F 1286779459 RPLDYPOHWQTWGU-UHFFFAOYSA-N 450.465 2.472 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1286792613 DBNUKGJILCPBPQ-FQEVSTJZSA-N 467.599 2.492 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Br)c2)nnc1N1CCC[C@H](C(N)=O)C1 1286815361 SKRPJIWTIZFNQJ-HNNXBMFYSA-N 482.404 2.010 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 1286818977 VIYIKVDGVGFVJT-SFHVURJKSA-N 476.603 2.387 30 10 JEEE CC1CCN([C@@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N(C)CC(=O)N2CCOCC2)CC1 1291142304 BJOAYFFAMPVJNS-FQEVSTJZSA-N 465.602 2.232 30 10 JEEE CCOC(C)(C)Cn1c(Cc2ccccn2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1296460579 HIIKDFJUAXDJLN-UHFFFAOYSA-N 463.590 2.319 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)Sc1ccccc1 1300309760 VKEDYUNDJCQTGL-LNLFQRSKSA-N 463.629 2.250 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2Cc2csc(COC)n2)c1 1300331253 GWINVNODHKGOKI-UHFFFAOYSA-N 481.582 2.124 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Br)n1CC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1300488707 GNBMSEQXCXGHSR-OAHLLOKOSA-N 479.400 2.249 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1CCN(C)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 1300488765 WDBXKUNVECCDIJ-NRFANRHFSA-N 456.616 2.231 30 10 JEEE C#CCN(CC#C)c1nnc([C@H](C)OCCOC)n1C[C@@H]1C[C@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1300512215 OQLRWBZBJMXNAA-TUFLPTIASA-N 487.601 2.099 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN1C1CCCCC1 1300578332 LEZXIZHODICXSH-RBBKRZOGSA-N 457.644 2.440 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2cccc(OCCN(C)C)c2)CC1 1300697787 JTTBWMSLJWBHFY-QHCPKHFHSA-N 452.603 2.264 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1300844582 PWFIQGWCVHCHSN-GOSISDBHSA-N 481.439 2.215 30 10 JEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](c2ccnn2C)C1 1301187944 FNZZMRUOUHRKIF-QUCCMNQESA-N 477.635 2.085 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(N2CCOCC2)CCCCC1 1301390664 MIQGUBUDILHJGJ-FQEVSTJZSA-N 463.648 2.394 30 10 JEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 1301458936 LAKFTCBUJMZXGV-BVSLBCMMSA-N 488.658 2.286 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)nnc1[C@]1(OCC)CCOC1 1301520136 UNNXNNFKCBRJQT-KKSFZXQISA-N 497.522 2.289 30 10 JEEE COCCN(CCC#N)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1CCCCO1 1301808216 BHVDBDGJFMLMJG-FQEVSTJZSA-N 454.579 2.388 30 10 JEEE Cc1ccc(OCc2nnc(N3CCN(c4ccc(C#N)cn4)CC3)n2CC(=O)NCC(F)F)cc1 1304417825 DPRDWSCCELRILA-UHFFFAOYSA-N 496.522 2.140 30 10 JEEE CCN(CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1)C(C)C 1313804950 GWNWZPPFWUYRDB-UHFFFAOYSA-N 487.612 2.368 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(N2CCSCC2)CCCCC1 1358890888 WRILGGUJRYAMMU-MOPGFXCFSA-N 465.689 2.390 30 10 JEEE C#CCCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1358916415 KOTHCXJXUZVERL-HXUWFJFHSA-N 478.597 2.105 30 10 JEEE C#CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN2CCOC[C@H]2C1 1358928788 KSVOHWSLVKXDHA-VQTJNVASSA-N 458.607 2.327 30 10 JEEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(CC)CC1)[C@H]1CCS(=O)(=O)C1 1358956502 GSVQBHZNXOHGLT-PGRDOPGGSA-N 450.605 2.136 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCCOC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1358962524 RGDIQEMSPYEXMO-HUUCEWRRSA-N 450.483 2.073 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@@]1(N(C)C)CCSC1)[C@@H]1CCS(=O)(=O)C1 1358964812 HVMOTMIFSPDGJI-QPPBQGQZSA-N 487.695 2.241 30 10 JEEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1c(C)cc(C)cc1C)[C@H]1CCS(=O)(=O)C1 1358965840 BXIDHWLOPCQSSP-FQEVSTJZSA-N 469.611 2.001 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccccc2F)n1CC1(NC(=O)OC(C)(C)C)COC1 1358982786 KNSHERBAWRGBJD-UHFFFAOYSA-N 469.517 2.363 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(CNC(=O)c2cccs2)n1Cc1nncn1C 1359017647 MSSXIAYORZUYIX-UHFFFAOYSA-N 464.530 2.225 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cn2nc(C)cc2C)n1CC1(C(N)=O)CCOCC1 1359017654 NFCQOHOAVXPSNI-UHFFFAOYSA-N 479.560 2.201 30 10 JEEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)NCCC)CC1 1359075824 HKIKRUFBFSFGRF-UHFFFAOYSA-N 453.385 2.165 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(F)F)CC1 1359091299 LTYAVMZSPOXJRT-QFBILLFUSA-N 461.517 2.294 30 10 JEEE C=C(C)COCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN2C(=O)CC[C@H]2C1 1359126322 MGZUQRIOOJMLCA-IBGZPJMESA-N 472.977 2.265 30 10 JEEE C=C(C)COCCn1c(N2CCO[C@](C)(c3cnn(C)c3)C2)nnc1[C@]1(OC(C)C)CCOC1 1359137367 NKURAEHMWPBAMG-ZEQRLZLVSA-N 474.606 2.397 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2cccc(OC)c2)CC1 1359179144 NBFDASMISROFBJ-NRFANRHFSA-N 475.615 2.265 30 10 JEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(c2ccccc2C#N)CC1 1359215633 GIKPWZZZKUZWNQ-JOCHJYFZSA-N 499.641 2.166 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCSc1ccccc1 1359240588 SEFCFEKFHUHRSO-SFHVURJKSA-N 451.618 2.416 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1359293366 OAZHMLAOQADILD-MRXNPFEDSA-N 492.422 2.233 30 10 JEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 1359303857 CUKSOZCDOCQPGS-FQEVSTJZSA-N 451.579 2.097 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)ccc2Br)nnc1N1CCO[C@@H](C#N)C1 1359328560 IHMBKPLNDNHZIV-HNNXBMFYSA-N 496.387 2.046 30 10 JEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@H]1c1ccc(CC)o1 1359334662 NGPZGPGLWYQWCH-SFHVURJKSA-N 461.588 2.498 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCCc2ccccc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1359334927 VBFINIFZRRXQJJ-NHCUHLMSSA-N 471.627 2.302 30 10 JEEE CC(C)c1nn([C@@H]2CCS(=O)(=O)C2)cc1C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 1463587288 HNYMZWFXMOCXNX-HXUWFJFHSA-N 455.584 2.196 30 10 JEEE CCOc1ccc(O[C@H](C)c2nnc(N(C)C[C@@H](C)C#N)n2CC(=O)N2CCOCC2)cc1 1502850787 GZNNAFVTODFBHI-ZWKOTPCHSA-N 456.547 2.271 30 10 JEEE CN(C)C(=O)CC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2([S@@](C)=O)CC2)CC1 1503359743 IBWLTWMPVYFIQZ-UUWRZZSWSA-N 484.626 2.335 30 10 JEEE Cn1cccc1-c1nnc(N2CC[C@](F)(C#N)C2)n1CCOc1ccc(S(C)(=O)=O)cc1 1503664174 BMRGOBXFNZDUDI-NRFANRHFSA-N 458.519 2.208 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1Cc1cnccc1OC)[C@H]1CCS(=O)(=O)C1 1507636061 YAKHBBTUCQMTBB-SFHVURJKSA-N 457.581 2.009 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1Cc1ccc(F)cn1)[C@H]1CCS(=O)(=O)C1 1507640421 SAQUZMAORJYIIZ-IBGZPJMESA-N 473.505 2.205 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1Br 1507710714 JZHQYLZSMDWQPK-MRXNPFEDSA-N 467.389 2.077 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc(C)cc2OC)CC1 1507718979 IVZLRKSFPDDIHW-VWLOTQADSA-N 453.587 2.439 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1CCCCCS(C)(=O)=O 1507769552 IYPCZFHRFZRKHW-OAQYLSRUSA-N 463.629 2.477 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1CCCC1 1507800338 VAUNBPZCQDYCME-AQNXPRMDSA-N 467.636 2.219 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(S(C)(=O)=O)cc1 1507820150 AQNBHAMRJVXZEV-KRWDZBQOSA-N 452.602 2.034 30 10 JEEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1508048427 RRVFSOQGUQSORP-UHFFFAOYSA-N 489.671 2.385 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1508072763 GLYJGYJSCJOXFM-KRWDZBQOSA-N 486.573 2.368 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC(CN2CCCCCC2)CC1 1508141300 UWYBIBUFGDRPRP-UHFFFAOYSA-N 473.647 2.428 30 10 JEEE C=CCS(=O)(=O)CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCS(=O)(=O)CC1 1508148846 KXFPBYMUKLOJHD-UHFFFAOYSA-N 491.060 2.059 30 10 JEEE COC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(C)(C)C)CC1)OC 1518731337 HABIDNBOMBBWIB-FQEVSTJZSA-N 470.574 2.085 30 10 JEEE C#CCn1ccc(CN(CCOC)C(=O)C2CCN(C(=O)N(C)Cc3ccccc3)CC2)n1 1525225938 SJUABQDMOVHMKS-UHFFFAOYSA-N 451.571 2.455 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCOc1ccc(S(C)(=O)=O)cc1 1538977057 SHPHHXMSNYFDLH-WZONZLPQSA-N 476.599 2.259 30 10 JEEE C#CCCCCn1c(COc2ccccc2F)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1539082219 NNKRBCRWEVELRC-QGZVFWFLSA-N 466.521 2.332 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1ccccc1C)[C@H]1CCS(=O)(=O)C1 1539229410 CFRJNVNTFUJAFJ-NRFANRHFSA-N 452.584 2.123 30 10 JEEE C#CCN(c1nnc(CCOc2ccccc2)n1C[C@@H]1CSCCS1)[C@@H]1CCS(=O)(=O)C1 1539230140 KQYIYVKXQQILIQ-UYAOXDASSA-N 492.692 2.375 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1Cc1nccs1)[C@H]1CCS(=O)(=O)C1 1539230369 MNIWSZZCDZEOGU-HNNXBMFYSA-N 461.544 2.128 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(OC)nc1OC 1539266365 PFIBNXHNCNOOLA-IBGZPJMESA-N 496.568 2.120 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccc(Br)cc2)n1CCN1CCOC[C@H]1C 1539288992 KMIWPCKQIJGJQV-GOSISDBHSA-N 472.387 2.413 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@H]2NC(=O)CC2(C)C)CC1 1539434681 SMRNCTQZMMFBJS-GOSISDBHSA-N 458.513 2.216 30 10 JEEE C=CCN(CCOC)c1nnc(-c2ccc(Br)cc2)n1CC(=O)N1CCOCC1 1540191416 KTHSWFCVLPDZPQ-UHFFFAOYSA-N 464.364 2.205 30 10 JEEE C=CCn1c(CCOc2ccccc2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1540859566 OJPCTFZZAHFQJB-UHFFFAOYSA-N 474.612 2.361 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CCCN(C(C)=O)CC1 1540865794 SHDLOKXNIAMYBM-UHFFFAOYSA-N 467.393 2.130 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCn2cc(Br)cn2)C1 1540891108 OZKCRFOWAIEFSR-CVEARBPZSA-N 464.368 2.060 30 10 JEEE CC(C)Oc1ccc(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCO[C@@H](C#N)C2)cn1 1541735688 CIEKWZVREKNPOT-IBGZPJMESA-N 482.566 2.308 30 10 JEEE N#Cc1ccc(N2CCC3(CC2)CN(C(=O)c2ccc(O)nn2)C[C@H]3CO)cc1C(F)(F)F 1548402627 NYWYIIXVYDYMIY-HNNXBMFYSA-N 461.444 2.424 30 10 JEEE CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC([C@H]2CCOC2)CC1 1552378061 AKINROUEIBDNHF-FQEVSTJZSA-N 458.588 2.009 30 10 JEEE CC(C)N1CCC(N2CCN(S(=O)(=O)c3ccc(Br)c(C#N)c3)CC2)CC1 1561395672 FPEHIQMRRALZRK-UHFFFAOYSA-N 455.422 2.500 30 10 JEEE C#CCN(C(=O)N[C@H](CC)CNS(C)(=O)=O)[C@@H]1CCOc2ccc(Br)cc21 1564781513 IUQWGUSGHNOHBF-GDBMZVCRSA-N 458.378 2.245 30 10 JEEE N#Cc1c(F)cccc1-n1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)n1 1584712408 DWNHILMVXDJIHD-UHFFFAOYSA-N 455.471 2.156 30 10 JEEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 1587909684 QNBIIZYFPDNSOO-IRFCIJBXSA-N 458.632 2.258 30 10 JEEE C#CCN(c1nnc(-c2cnn(-c3ccccc3)c2)n1CCN(C)[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1588049420 GISDYNRRWXAJBR-OFNKIYASSA-N 495.653 2.488 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](c1ccc(C)cc1)N1CCOCC1 1588078095 AVNSOKXDGYWUDI-HSZRJFAPSA-N 483.576 2.380 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1CC(C)(C)C(=O)NCC 1588581619 YJIFXUJGJXFVTR-UHFFFAOYSA-N 451.369 2.284 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc(Cl)nc3)n2C[C@@H]2NC(=O)CC2(C)C)n1 1588724294 WYCBEASWHQKRLN-IBGZPJMESA-N 497.003 2.391 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CC[S@](=O)C(C)(C)C)CC1 1588923463 AAEQHEYECXRFEI-YTTGMZPUSA-N 456.616 2.162 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1CCCCN1CCC[C@H]1CO 1589142601 LERLYNNFKMGYQE-YADARESESA-N 451.575 2.154 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCCOCC1 1589506265 UHCKNYXZDYDBEC-CTNGQTDRSA-N 475.615 2.403 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1cccc(F)c1 1589664275 WZQVFIWQSBWISP-LJQANCHMSA-N 467.567 2.232 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cnccn2)n1C[C@H]1CCCN1S(C)(=O)=O 1595076207 XBVQHKQFMPSYTA-LJQANCHMSA-N 483.598 2.360 30 10 JEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 1595569532 ISPGHYOLEASQGO-IBGZPJMESA-N 486.621 2.183 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H](C(=O)NC)C1 1595760770 SHKATKSMXOOIGC-IAGOWNOFSA-N 479.578 2.120 30 10 JEEE C[C@H]1C[C@@H](CCn2c(-c3cccc(C#N)c3)nnc2N2CCN(CC(=O)N(C)C)CC2)CCO1 1612679489 CTKSVQPHLFUPOD-PMACEKPBSA-N 465.602 2.232 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CC1(O)CCC1 1613590539 AVUDHWAHZYXRLE-UHFFFAOYSA-N 465.602 2.305 30 10 JEEE CCOC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCN(C)CCOC)C1 1616016081 IAHBKUIIUWSBMY-FQEVSTJZSA-N 455.563 2.110 30 10 JEEE CO[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2cc(C#N)ccn2)CC1)C(C)C 1618968866 BCZAWIJBUIYAGF-IBGZPJMESA-N 475.557 2.190 30 10 JEEE CC[C@@H]1Oc2cc([C@H](C)NC(=O)[C@H](C)NS(=O)(=O)c3ccc(C#N)cc3)ccc2NC1=O 1620715655 DKZXLNOTUZBDTP-NJSLBKSFSA-N 456.524 2.212 30 10 JEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCC(C)(C)[C@@H]2COCC23OCCO3)cc1 1622886610 MHGWTOVMODFOJE-SFHVURJKSA-N 453.561 2.030 30 10 JEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1cc(C2CC2)nc2c1c(O)nc(=O)n2CC(C)C 1628681860 ZXGWJNAJTDBCON-UHFFFAOYSA-N 454.527 2.448 30 10 JEEE C=CCN(CC(=O)OCC)C(=O)[C@@H](CO)NC(=O)OCC1c2ccccc2-c2ccccc21 1630851612 UVLHWVGJPKKPHX-JOCHJYFZSA-N 452.507 2.464 30 10 JEEE C=CCn1c(SCC(=O)N(CC)[C@@H]2CCS(=O)(=O)C2)nnc1-c1cccc(OC)c1 1640970816 YFXLMAKTFSMWJH-MRXNPFEDSA-N 450.586 2.267 30 10 JEEE C=CCN([C@@H](Cc1ccccc1)C(=O)OCC)S(=O)(=O)c1cccc(-c2nnnn2C)c1 1661407898 CWEVMMZGTCLWTI-FQEVSTJZSA-N 455.540 2.228 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2CCNC(=O)OC(C)(C)C)c1 1689872484 ZVUFLVMQQCXTCJ-GOSISDBHSA-N 468.558 2.363 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H]1CCCO[C@H]1C(C)C)[C@H]1CCS(=O)(=O)C1 1689986086 IKRUVCCSBJWSKV-ZJOUEHCJSA-N 457.600 2.418 30 10 JEEE C#CCN(c1nnc(C2CCCC2)n1Cc1nccc(C(F)F)n1)[C@@H]1CCS(=O)(=O)C1 1689989016 AJLVNHFYAAKWQN-OAHLLOKOSA-N 450.515 2.338 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H](c1ccco1)N(C)C 1690006657 WDMCLURNLNYHLR-HXUWFJFHSA-N 451.552 2.317 30 10 JEEE C#CCN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H](C)CN1CCOCC1 1690087034 HTHMDUAHXBAOQF-SLFFLAALSA-N 460.623 2.477 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1cccnc1OC 1690101078 NJNCSEVBNPUDAT-UHFFFAOYSA-N 473.537 2.213 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H]2CCC[C@@H](O)C2)CC1 1690110517 PGQMDKRPUQPCDR-PZJWPPBQSA-N 471.005 2.168 30 10 JEEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1690161564 JTPKSEDNRXOPJU-UHFFFAOYSA-N 492.565 2.040 30 10 JEEE C=CCCCCn1c(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)nnc1[C@@]1(OCC)CCOC1 1690468370 ZWVWGOPFENSTFB-GBXCKJPGSA-N 460.623 2.029 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1690731251 FPDAGYKSSZJFGP-FTEYMNFISA-N 479.647 2.045 30 10 JEEE CC(C)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1692489656 DURPNMGTLVCKMP-FQEVSTJZSA-N 472.615 2.084 30 10 JEEE CO[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1)C(C)(C)C 1697190850 CVSKEQMBMVKLDW-RTWAWAEBSA-N 470.574 2.131 30 10 JEEE COCc1nc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(CC(N)=O)CC2)cs1 1697833616 IBFJQVQSOSCTAD-UHFFFAOYSA-N 481.582 2.472 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H](C)Oc1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 1705565017 FIILBVDKNBBEGN-APWZRJJASA-N 489.001 2.426 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1cccc(CN(CC)CC)c1)[C@H]1CCS(=O)(=O)C1 1705565228 HGKKPPQOPDHJNN-GOTSBHOMSA-N 485.654 2.299 30 10 JEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CCOc1ccc(Cl)cn1 1705626854 LGORFVLVRNKTSS-UHFFFAOYSA-N 458.906 2.219 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H](NC(=O)OC(C)(C)C)C(C)C)CC1 1705639698 UNZLDMRGHJEIDG-VQTJNVASSA-N 460.623 2.477 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCC2CC(OCC)C2)CC1 1705782443 XBVNJLWNSIGOSD-SOAGJPPSSA-N 467.636 2.219 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1705933711 PXFCIBFYAWLUJY-NVXWUHKLSA-N 485.006 2.448 30 10 JEEE CC(C)C(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1708152553 FTUHFDACQHSYLO-IAGOWNOFSA-N 451.579 2.288 30 10 JEEE CCN1CCN([C@H](C)Cn2c(COc3ccccc3OC)nnc2N2CC[C@@](F)(C#N)C2)CC1 1710269964 GLJGTFQZCWVRJD-NTKDMRAZSA-N 471.581 2.334 30 10 JEEE COCCN(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(C(=O)C(C)C)CC1 1712417572 CLJLANBLFIQKIY-UHFFFAOYSA-N 467.618 2.480 30 10 JEEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCC(CC#N)CC3)n2CCc2cccc(F)c2F)C1 1712705837 DKTUEGJKJLXYDG-IBGZPJMESA-N 494.568 2.262 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@H](c1ccco1)N(C)C)[C@H]1CCS(=O)(=O)C1 1722359336 LPVGKNBGXKVKDY-PZJWPPBQSA-N 483.594 2.476 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1Cc1ccc(N(CC)CC)nc1)[C@@H]1CCS(=O)(=O)C1 1722367898 OUXQGZXJIANQGK-HXUWFJFHSA-N 458.632 2.393 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CC[C@]2(CCOC2)O1 1722391116 ZXWGPWDTYHVYKZ-HYBUGGRVSA-N 468.579 2.150 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1CCCN1CCCO[C@H](C)C1 1722426304 GFZQBRYJIPZICJ-OFNKIYASSA-N 469.586 2.378 30 10 JEEE C#CCSCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1722454812 NNGUJQHYRSVXTB-WBVHZDCISA-N 471.583 2.052 30 10 JEEE C=C(Br)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1722479483 GFOPIHQQMKHWGM-UHFFFAOYSA-N 485.364 2.234 30 10 JEEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 1722486777 DIXLHXRULRNNLE-UHFFFAOYSA-N 479.339 2.255 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C2CC2)nnc1N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 1722506483 MQVXVPSDIJUFGB-UFYCRDLUSA-N 467.636 2.014 30 10 JEEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CCOCC)CC1 1722551998 KWTQHRHSVSXTSF-SFHVURJKSA-N 485.029 2.498 30 10 JEEE C=CC1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1722578805 BUUUXIZPJIAYRU-HSZRJFAPSA-N 460.600 2.426 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(F)cc2Br)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1722695802 QMQDATOEQBJMOQ-SJORKVTESA-N 491.365 2.396 30 10 JEEE C=CCOc1ccc(Cn2c([C@H]3CCCCO3)nnc2N2CCN(S(C)(=O)=O)CC2)cc1 1722705740 IENGFOGLIKOYJE-HXUWFJFHSA-N 461.588 2.214 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCN(c2nc(C)c(C)s2)CC1 1722728647 ABVHBIRPGPSXBR-UHFFFAOYSA-N 487.655 2.265 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1722752190 YJJPKXSFMBKIHO-MSOLQXFVSA-N 476.599 2.426 30 10 JEEE CCS(=O)(=O)N(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ccccn2)CC1 1729212800 DTEGSXRJSDHMPL-UHFFFAOYSA-N 494.625 2.210 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1Cc1cccnc1OC)[C@@H]1CCS(=O)(=O)C1 1740623958 BCHGQFBEXVSVLI-HXUWFJFHSA-N 469.542 2.087 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@H](C)N1CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1740624016 CEHVOLXHQFZUQG-ONTIZHBOSA-N 470.643 2.011 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2CCn2cncn2)CC1 1740697893 OZOKKYZYCWGUME-UHFFFAOYSA-N 475.782 2.408 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCC2(COC)CCC2)CC1 1740700874 LRGNECVHMBTKCC-UHFFFAOYSA-N 479.585 2.098 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H]2CCOC[C@@H]2OC)CC1 1740707410 AZXONHGIUUVDQL-UGKGYDQZSA-N 485.560 2.014 30 10 JEEE C#CCSCCn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1740712332 DRNATCGIUCXZDV-KRWDZBQOSA-N 451.618 2.321 30 10 JEEE C#CCSCCn1c(COc2ccc(Br)cc2)nnc1N1CCN(C)C(=O)C1 1740721787 TWKRCCFIGFGKMY-UHFFFAOYSA-N 464.389 2.264 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1740767700 QERBZQWVALGXSS-AVRDEDQJSA-N 493.605 2.449 30 10 JEEE C=CCCCCn1c(-c2cccn2C)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1740859959 VGQIFFLQPWZGIG-LJQANCHMSA-N 462.620 2.271 30 10 JEEE C=CCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1740869501 PLJPXQDFAXNLEP-UHFFFAOYSA-N 472.977 2.072 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)C(C)C 1740920668 FGFVWCXXHKHQDH-NFBKMPQASA-N 495.621 2.350 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CCN1CCOC(C)(C)C1 1740969503 PQIGFVKEROPOGS-FQEVSTJZSA-N 468.602 2.389 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCC(=O)NC)C1 1740981752 XAACDJRTUFIBRT-QZTJIDSGSA-N 462.595 2.310 30 10 JEEE C=CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(S(C)(=O)=O)CC1 1740996585 DTEMHAKYNCNHIE-UHFFFAOYSA-N 484.669 2.281 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCCN1CCCO[C@@H](C)C1 1741674058 DKOCBOBXWIDKHF-NRFANRHFSA-N 494.644 2.115 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1Cc1cnn(C)c1C)[C@H]1CCS(=O)(=O)C1 1748804656 JQRLTCBFKZHXMB-XLIONFOSSA-N 486.573 2.274 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1ccc(OC)cc1F)[C@@H]1CCS(=O)(=O)C1 1748819121 KZLHZXPDZDZWRM-LJQANCHMSA-N 469.542 2.087 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@H]1CCC=CO1)[C@@H]1CCS(=O)(=O)C1 1748821027 LKIJNSUNKJOJFK-TZIWHRDSSA-N 456.568 2.485 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCO3)n2C[C@@H]2CC(F)(F)CO2)n1 1748971728 ZZBOVIFHRRQIEF-ZWKOTPCHSA-N 450.490 2.037 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Cl)c3)n2CC[C@@H]2COCCO2)CC1 1749003323 FVWVHOVCJXOWMN-HXUWFJFHSA-N 457.962 2.370 30 10 JEEE C=C(C)COCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1749219603 MTOJJXIIEIEMDH-UHFFFAOYSA-N 490.568 2.467 30 10 JEEE COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCCC[C@@H]2C)CC1 1749245227 CVKIHUBPDQEOQO-FQEVSTJZSA-N 465.602 2.376 30 10 JEEE C=CCCCn1c(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1749439998 OXLYWYHPCNRDEX-GBXCKJPGSA-N 460.623 2.028 30 10 JEEE C=CCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1749637887 HJGKZZRVOXDPJW-UHFFFAOYSA-N 487.004 2.365 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC[C@@H](CNC(=O)c2ccccc2)C1 1749664539 RDRRWFIYJJJLPC-IBGZPJMESA-N 461.570 2.232 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 1749668740 DNHVCSBRSIIRIS-JKSUJKDBSA-N 460.604 2.416 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@]2(C)CN(C)C2=O)C1 1749694176 PDNFPANXLXZVFH-WZONZLPQSA-N 472.977 2.121 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H](C)N2CCOCC2)C1 1749701795 YSWDBWRRUCGPMT-ICSRJNTNSA-N 457.575 2.464 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1749733721 AKHSCUOOIBVUDV-UHFFFAOYSA-N 461.636 2.201 30 10 JEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H]1c1csc(C)n1 1749737981 BPQREEDUYXGUEH-QGZVFWFLSA-N 464.617 2.108 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](c2ccc(F)cc2)C1 1760154833 JZDSFCVGEYTMSH-AZUAARDMSA-N 461.563 2.157 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1(CCOC)CC1)[C@@H]1CCS(=O)(=O)C1 1760183421 OXHKGBDIOWHHRE-LJQANCHMSA-N 473.555 2.297 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCN(CCc2ccccc2)C1 1760290210 YXKDEVRTTMPEAF-JLRUASKGSA-N 484.670 2.445 30 10 JEEE C=C(Br)Cn1c(N2C[C@H](C)O[C@@H](COC)C2)nnc1[C@]1(OC(C)C)CCOC1 1760314490 ODGJKQABFGGNMU-FCEWJHQRSA-N 459.385 2.467 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(OC)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1760326370 WMJISXXBAKGXBS-HMFYCAOWSA-N 476.599 2.470 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCOc2ccccc2)CC1 1760402860 WWJOREXXGFYHAU-HXUWFJFHSA-N 461.588 2.092 30 10 JEEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1760421865 CFOXDTHRKVQCJA-LSDHHAIUSA-N 452.547 2.317 30 10 JEEE C=CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1760440633 NOWCNGOOUIEVFC-SBUREZEXSA-N 460.579 2.412 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3nn(C(C)C)c(=O)c4ccccc34)n2CCS(C)(=O)=O)C1 1760544487 ASRYOTBEUIRILH-KRWDZBQOSA-N 486.598 2.062 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1760553987 NWWLSMXQOBFWHM-JOCHJYFZSA-N 461.588 2.024 30 10 JEEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@](C)(OC)CC1 1760557807 WSRKMRUCISGUAU-OAQYLSRUSA-N 481.644 2.266 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)[C@H](C)N3CCN(S(=O)(=O)c4cccs4)CC3)cc21 1858634440 XVOVRUVMMNDRCC-INIZCTEOSA-N 475.592 2.237 30 10 JEEE O=C(C1=C(O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1ccc(O)c(O)c1)c1cccc(O)c1 1862592165 WQMSPZGYVXUYIY-OAQYLSRUSA-N 454.479 2.104 30 10 JEEE CCOc1cc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2CCNC(C)=O)ccc1O 1862759657 WNWCQILQEMLXKK-FQEVSTJZSA-N 469.450 2.414 30 10 JEEE COCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1862762520 MCGQKPYXFANURG-LJQANCHMSA-N 485.405 2.499 30 10 JEEE COC(=O)c1ccc(C)c(NC(=O)[C@@H](CO)NC(=O)C2CCN([C@@H](C#N)c3cccs3)CC2)c1 1866866022 CEMYKKHVRDWXAO-UXHICEINSA-N 484.578 2.236 30 10 JEEE CC(C)[C@@H](C(=O)Nc1c(C#N)nnn1-c1ccc(N(C)C)cc1)N1C(=O)c2ccccc2C1=O 1870143556 QXNNSFJVMRRVBS-FQEVSTJZSA-N 457.494 2.464 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)COc2cn(CCCOCC)c(CN(C)C)cc2=O)nc1C 1870323503 UJNGYCZFRSKVDI-UHFFFAOYSA-N 492.598 2.462 30 10 JEEE C=CCn1cc(OCC(=O)NC[C@H]2CCCO2)c(=O)cc1CN1CCN(Cc2ccccc2)CC1 1870542493 VEHJGTOUSDIWRD-XMMPIXPASA-N 480.609 2.026 30 10 JEEE COc1ccc(OCCCc2nnc(SCC(N)=O)n2/N=C/c2ccc(O)c(OC)c2)cc1 1874220041 RJYRAKMEXCWMAB-ZMOGYAJESA-N 471.539 2.472 30 10 JEEE CC(C)N1C[C@H](c2nnc(SCC(=O)NCc3ccco3)n2/N=C/c2ccncc2)CC1=O 1874333503 QBLCWPJTKPAHGI-LHSRNITLSA-N 467.555 2.281 30 10 JEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](C(=O)N2CCC[C@H](B3OC(C)(C)C(C)(C)O3)C2)C1 1892761262 OFSVMRFDCSNFCF-JKSUJKDBSA-N 472.413 2.105 30 10 JEEE C=CCNC(=O)[C@@H](C)[S@@](=O)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1990662153 LVQGBJLFXOQFJD-IRDZWROISA-N 470.547 2.418 30 10 JEEE Cn1nnc(CNC(=O)OC(C)(C)C)c1C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2180980074 DYKHUJMIICHAJO-UHFFFAOYSA-N 457.340 2.391 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC(N(C)C(=O)OCc2ccccc2)C1 2255656528 BWGMHCVMPVPYLN-UHFFFAOYSA-N 468.363 2.121 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C1)[C@@H]2NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2255795085 RZHFPQUEMPTUSU-YWVIFJGQSA-N 470.422 2.191 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CO)CNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2255957238 NGHOPOKMVVIGLK-AWEZNQCLSA-N 454.760 2.255 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CC(F)(F)C1 2267092132 UQSPMHYGYGUXAN-UHFFFAOYSA-N 456.299 2.037 30 10 JEEE C[C@@H](CCCN(C)C(=O)OC(C)(C)C)NC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2267184142 KZKCNZKTWHLJNV-HNNXBMFYSA-N 450.389 2.485 30 10 JEEE CCC1(NS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2267469248 RZRHZIJYNIFDOF-UHFFFAOYSA-N 487.453 2.261 30 10 JEEE COC1(CNC(=O)c2c(C)nsc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2267526417 RPUYHLJCKLLRAY-UHFFFAOYSA-N 467.397 2.116 30 10 JEEE CC(C)(C)OC(=O)N1CCCO[C@@H](CNC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C1 2267548500 GNUSBNRZRXMHGF-AWEZNQCLSA-N 467.397 2.198 30 10 JEEE CC[C@@](C)(O)CN(Cc1ccccc1)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2267718472 UGJJCPLITMDRPW-JOCHJYFZSA-N 463.409 2.071 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N1CCc2sc(B3OC(C)(C)C(C)(C)O3)cc2C1 2268721055 GJMGOAFESNLECE-OAHLLOKOSA-N 466.409 2.208 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1COCCN(C(=O)c2ccc(F)c(B3OC(C)(C)C(C)(C)O3)c2)C1 2281758550 IKQMAUSGUROOJI-INIZCTEOSA-N 464.343 2.491 30 10 JEEE Cc1c(C(=O)N(C)CCC2CN(C(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281796467 LZXAPPMHVWNFHU-UHFFFAOYSA-N 462.400 2.357 30 10 JEEE Cc1cnc(C(=O)N2CCC[C@H](CNC(=O)C(F)(F)F)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2281948987 DGVGMYTUSGWCAA-CQSZACIVSA-N 455.286 2.220 30 10 JEEE Cc1nn(C)c(C(=O)N[C@@H]2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)c1B1OC(C)(C)C(C)(C)O1 2281987243 YMXFPAQPHNSKHW-OWCLPIDISA-N 460.384 2.013 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CC12CCC2 2281989586 BMEFLHCTKGIYJH-HNNXBMFYSA-N 460.384 2.476 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@]2(C[C@@H](NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)sn3)CO2)C1 2281995672 GAGWWDSJUNQYEH-PEBXRYMYSA-N 479.408 2.341 30 10 JEEE CN(C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)[C@@H](CNC(=O)OC(C)(C)C)C(F)(F)F 2282028343 CRNZZNTVLPJGRU-ZDUSSCGKSA-N 474.289 2.303 30 10 JEEE CCn1cc(C(=O)N2C[C@H]3CC[C@@]3(NC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2282039077 QERWLSCFSWCVKO-IQMFZBJNSA-N 460.384 2.332 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)Nc1cnc(CNC(=O)OC(C)(C)C)nc1 2282175346 VZLYNRJQXFMAFQ-UHFFFAOYSA-N 457.340 2.391 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H]2CCN(C(=O)c3ncncc3B3OC(C)(C)C(C)(C)O3)C[C@@H]21 2282191004 UMKAUWFOSJJZQQ-RDJZCZTQSA-N 458.368 2.247 30 10 JEEE Cn1cc(C(=O)N2C[C@@H]3CN(Cc4ccccc4)C[C@]3(C)C2)nc1B1OC(C)(C)C(C)(C)O1 2282546086 KUFCLSPBVFLVOT-UQBPGWFLSA-N 450.392 2.313 30 10 JEEE CCc1nn(C)c(C(=O)N(C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2282559497 JLHKMBWQGASPTC-OAHLLOKOSA-N 462.400 2.363 30 10 JEEE Cn1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2282577584 GZCLYGDJDKESAI-CVEARBPZSA-N 460.384 2.333 30 10 JEEE CC(C)(C)OC(=O)NC[C@]12CCC[C@@H]1CN(C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C2 2282581854 NUKRDBNMNHFERV-CMJOXMDJSA-N 460.384 2.476 30 10 JEEE C[C@H](CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 2282607545 KWIFVWKGFQTQQC-PEBXRYMYSA-N 481.424 2.180 30 10 JEEE CC(C)(C)OC(=O)NCCn1cc(C(=O)NCc2cc(B3OC(C)(C)C(C)(C)O3)cs2)nn1 2283974911 WPFMULNQKNHGTL-UHFFFAOYSA-N 477.396 2.094 30 10 JEEE CC(C)(C)OC(=O)NC(C)(C)[C@@H](O)C(=O)NCCc1ccccc1B1OC(C)(C)C(C)(C)O1 2284018162 RKHGTPMDPMKXPK-SFHVURJKSA-N 462.396 2.309 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H](O)CCC(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2285185579 CVCDFEKZFVBODY-KRWDZBQOSA-N 466.359 2.407 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N 2285194927 WOTZWPSENYCHBX-QGZVFWFLSA-N 456.352 2.274 30 10 JEEE CN(C)S(=O)(=O)c1ccc(C(O)=C2C(=O)C(=O)N(CCN3CCCCC3)[C@@H]2c2cccnc2)cc1 2295993315 JWUSEUQQZRFVDJ-JOCHJYFZSA-N 498.605 2.240 30 10 JEEE CCOc1ccc([C@H]2C(=C(O)c3ccc([N+](=O)[O-])cc3)C(=O)C(=O)N2CCOCCO)cc1 2296943337 MMBJMPORIYBMPK-FQEVSTJZSA-N 456.451 2.424 30 10 JEEE CC#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 2333917832 NQXVITVVZHDSGI-ICBNADEASA-N 465.591 2.273 30 10 JEEE CC(C)(C)OC(=O)NCCn1cc(NC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)cn1 2337398537 RRGYDZPBZNEENE-UHFFFAOYSA-N 463.369 2.416 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1[C@H]2CCCCN(C(=O)OC(C)(C)C)[C@H]21 2362356079 NYLGHUQNFYSFBI-BZUAXINKSA-N 460.384 2.237 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CSCCN(C(=O)OC(C)(C)C)C2)n1C 2362488304 UWAOVRVZZLBIFC-OAHLLOKOSA-N 480.440 2.110 30 10 JEEE COc1[nH]c(=N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2OC)ccc1B1OC(C)(C)C(C)(C)O1 2365348300 OOTSSRXMUVNGDT-IRXDYDNUSA-N 463.384 2.248 30 10 JEEE C=CCOc1ccc(C=c2sc3nc(=O)c(Cc4ccc(OC)cc4)nn3c2=O)cc1OC 254354859 XCAAESUUMCBWRU-UHFFFAOYSA-N 463.515 2.232 30 10 JEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccc(F)cc2C(F)(F)F)CC1 524183179 GVVFNOZPKYXSAL-UHFFFAOYSA-N 484.431 2.188 30 10 JEEE O=C(CN1C(=O)c2ccccc2C1=O)NC1CCC(OS(=O)(=O)c2ccc(F)cc2)CC1 586508484 OODAQXXMIGGFGA-UHFFFAOYSA-N 460.483 2.255 30 10 JEEE C=CCn1c(S)nc2cc(C(=O)N[C@H]3CC(=O)N(c4ccc(OC)cc4)C3)ccc2c1=O 1183952552 LOVMRARPELENTQ-HNNXBMFYSA-N 450.520 2.415 30 10 JEEE C[C@@H](CN1CCN(c2ccccn2)CC1)NS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 1187172818 FEVXXWWVVBEZLK-HNNXBMFYSA-N 453.490 2.461 30 10 JEEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccc(NC(=O)NC[C@@H]3CCCO3)cc2)n1 1215187073 SMXXVSXZOIQUSZ-NRFANRHFSA-N 454.531 2.497 30 10 JEEE C=CCNC(=O)c1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 1264729688 AZVBJDLWZBQPLP-IBGZPJMESA-N 458.496 2.302 30 10 JEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 1286343593 XBTPZUYCFAQSCM-DLBZAZTESA-N 468.624 2.043 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CCc1ccc(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1286391202 GUERCZINEFXODC-OAQYLSRUSA-N 495.605 2.151 30 10 JEEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1CCc1noc(CC)n1)[C@@H]1CCS(=O)(=O)C1 1286396479 PWFFQASIILUWIM-LJQANCHMSA-N 498.609 2.289 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@](C)(O)[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1286398388 XYFACOCGSRGVQE-STSQHVNTSA-N 478.590 2.420 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCSCC1 1286458360 RJOXLHMNOJXJKY-IBGZPJMESA-N 477.631 2.008 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2cnccc2OC)CC1 1286472612 KELZRNPITOWNHM-UHFFFAOYSA-N 456.348 2.243 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CCCn2cccn2)CC1 1286473542 PBUNJBUZCPTPKZ-UHFFFAOYSA-N 465.558 2.013 30 10 JEEE C#CCSCCn1c(CCc2ccccc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1286508413 MFRYNWYBWQECDZ-OAQYLSRUSA-N 453.612 2.257 30 10 JEEE C#CCSCCn1c(N2CCN(C(=O)C(C)(C)C)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1286512736 NNRXVKHKXJNEFT-HSZRJFAPSA-N 463.648 2.380 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1286587195 AOCXKNGAEYPBEK-IBGZPJMESA-N 459.616 2.473 30 10 JEEE C=C1CCN(c2nnc(CNC(=O)c3cccs3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC1 1286648951 RBUSXLIGUSAJSH-LJQANCHMSA-N 485.658 2.369 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc(Cc2csc(C)n2)n1C[C@]1(O)CCS(=O)(=O)C1 1286744777 OGOFDLSHCILXRX-JOCHJYFZSA-N 473.624 2.376 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCCN(C(=O)c2cccc(C)c2)CC1 1286785187 GYRSWKRYFGNVNG-UHFFFAOYSA-N 459.554 2.303 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](N2CCCC2=O)C1 1286797592 ZMIKXGQWGOUYGU-LJQANCHMSA-N 452.559 2.231 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCCO3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)C1 1286808083 AOORLDXMPAPFHN-NJDAHSKKSA-N 460.623 2.244 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1286816248 GYXIVGXMMVRRSB-IRLDBZIGSA-N 473.643 2.401 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@H](C)[C@H](C)C1 1286818257 FGSWESALKPVXNT-DLBZAZTESA-N 480.660 2.321 30 10 JEEE Cc1ccc(-c2nn(CCC#N)cc2C(=O)NC2CCN(CCS(C)(=O)=O)CC2)cc1C 1293020273 AGASRHGRDIMMPA-UHFFFAOYSA-N 457.600 2.319 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(S(C)(=O)=O)CCCC1 1300283735 ONEAFMLMIBITQS-QGZVFWFLSA-N 493.655 2.011 30 10 JEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cccc(-n2cncn2)c1 1300464419 DNYBKMMNVGTYFJ-FQEVSTJZSA-N 478.557 2.285 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1CC1(CCOC)CC1)[C@@H]1CCS(=O)(=O)C1 1300487179 HJGIISXFJGJYOH-GOSISDBHSA-N 458.584 2.397 30 10 JEEE C#CCN(c1nnc(CC)n1Cc1c(C)nn(Cc2ccccc2)c1C)[C@H]1CCS(=O)(=O)C1 1300497671 CCWSRYMCOHGFQG-NRFANRHFSA-N 466.611 2.377 30 10 JEEE C#CCN(CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@]1(C)CN(C2CC2)C1=O 1300605093 XTBKMRDBLZUJHC-XMMPIXPASA-N 453.543 2.441 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2CCc2nc(C(F)(F)F)cs2)CC1 1300682147 FIPQXAOCDWHSFO-OAHLLOKOSA-N 472.537 2.475 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC2(C(=O)NCC)CCC2)CC1 1300691438 YTNCMAPWYYAMAT-UHFFFAOYSA-N 466.586 2.024 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CSc3ccccc3OC)n2C[C@@]2(C)CN(C)C2=O)CC1 1300733514 WONZHBBJHXFCQI-RUZDIDTESA-N 496.637 2.023 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](CC(C)C)NC(=O)OCC 1300780279 OSNHAVXTFUSCHU-CBGDNZLLSA-N 468.624 2.041 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1300891724 MLMQNQRUNGXPQB-QTEQDKRBSA-N 472.634 2.370 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](C(=O)N(C)c2ccccc2)C1 1300992135 UQRFFERNTDITDB-ICSRJNTNSA-N 452.559 2.311 30 10 JEEE C=CCOc1ccc(Cn2c(-c3cccnc3)nnc2N2CCN(C(=O)C(=O)NC(C)C)CC2)cc1 1301518554 JUEGAKVAFJDMQZ-UHFFFAOYSA-N 489.580 2.126 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1301587015 LGPOQOAJDJPFDG-UHFFFAOYSA-N 462.576 2.312 30 10 JEEE CC(C)N(C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1303275595 FCEVNXGQAUEXRC-FQEVSTJZSA-N 486.642 2.440 30 10 JEEE Cc1ccc([C@@H](Cn2c(C(=O)NC(C)C)nnc2N(C)C[C@@H](C)C#N)N2CCOCC2)cc1 1304270415 BVAMNBDNBVNGAS-PZJWPPBQSA-N 453.591 2.394 30 10 JEEE CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C[C@H](C)C#N)N1CCc2ccccc2C1 1305804506 HRLSQCRNSJVJNT-LVCYWYKZSA-N 473.647 2.321 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCc1ccc(N(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 1358966970 APEGNTLYIWNEON-NHCUHLMSSA-N 457.600 2.065 30 10 JEEE C#CCN(c1nnc(COc2ccccc2OCC)n1Cc1cc(C)on1)[C@H]1CCS(=O)(=O)C1 1358968042 YFTIAYSKDPJREB-IBGZPJMESA-N 485.566 2.227 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(Cl)s2)n1 1359028642 ZBEGTTAEDLDFKX-QGZVFWFLSA-N 473.990 2.475 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@]2(C)CCCS2)CC1 1359048294 LFJNWSFWTMCLCU-SFYKDHMMSA-N 461.632 2.254 30 10 JEEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CCN([C@@H](C)c2nc(CC)no2)CC1 1359075709 CURCXDVPRIHSKN-HNNXBMFYSA-N 493.410 2.251 30 10 JEEE C=C(Br)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1359078384 ADXSFIFVEKTJFK-CQSZACIVSA-N 471.377 2.494 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCS(=O)(=O)C1 1359109218 SSUHHJLNXAEODU-MRXNPFEDSA-N 452.602 2.186 30 10 JEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1359227491 CDQAKWJLWPGDEI-IBGZPJMESA-N 488.589 2.110 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cnccn2)n1CCC(=O)N1CCOCC1 1359256098 UUIGXPUGSCSGPB-UHFFFAOYSA-N 458.526 2.048 30 10 JEEE CC#CCS(=O)(=O)c1cccc(C(=O)N(CCCN2CCOCC2)Cc2ccncc2)c1 1443680753 YBBGPPLVGIQYOI-UHFFFAOYSA-N 455.580 2.243 30 10 JEEE C#CCNC(=O)C1CCN(C(=O)c2cccc(S(=O)(=O)N[C@@H](C)c3ccccc3)c2)CC1 1459464613 KIXYJDZXCMHTLM-SFHVURJKSA-N 453.564 2.328 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@H](CN(CC)CC(F)(F)F)C2)s1 1465696317 CNHNPVNVLDWLTC-CQSZACIVSA-N 453.552 2.488 30 10 JEEE C=C(C)[C@@H](NC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)c1ccc(F)c(F)c1 1467263234 VLNRJHQXNQZPGD-HXUWFJFHSA-N 451.495 2.379 30 10 JEEE C=CCOc1ccc(CNC(=O)N2CCN(C(=O)OC(C)(C)C)[C@H]3CS(=O)(=O)C[C@H]32)cc1 1470123790 QCYPZVXBZIALND-MOPGFXCFSA-N 465.572 2.179 30 10 JEEE C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N[C@H](Cc2ccccc2)CN2CCOCC2)cc1 1476412676 GCRCHTOIFRGILM-WIYYLYMNSA-N 456.568 2.437 30 10 JEEE C#CCN1CCC[C@H](NC(=O)N2CC[C@@H](c3ccc(F)cc3)[C@@H](NC(=O)C(F)(F)F)C2)C1 1479311775 AMRKWUUZGKBGSO-FHWLQOOXSA-N 454.468 2.469 30 10 JEEE CN(C)[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(S(C)(=O)=O)CC1)C1CC1 1503380091 GBNLWMVRLYSTFU-OAQYLSRUSA-N 472.615 2.082 30 10 JEEE C#CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 1507752217 WWEJVBQJIVTVAN-QFBILLFUSA-N 464.613 2.416 30 10 JEEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1507782780 ANTZOWIOHWWNEZ-HOTGVXAUSA-N 473.379 2.457 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1507799025 UZHLEFRKBLMPNS-IFMALSPDSA-N 496.612 2.108 30 10 JEEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1 1507935873 VNNXLVDMXCFMLF-OFNKIYASSA-N 493.605 2.204 30 10 JEEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1508058862 INUTVQHQNLTOAA-SJLPKXTDSA-N 460.579 2.268 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@@H]1c1nncn1C 1508075546 YGFYOIRURCRXIR-MRXNPFEDSA-N 458.473 2.319 30 10 JEEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](c2cccc(F)c2)C1 1508089049 ADNMQYRZHPLXBD-SFHVURJKSA-N 484.557 2.289 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N(C)C[C@H]1CCCO1 1508136136 RWOIXEWYLONYGL-CQSZACIVSA-N 458.382 2.252 30 10 JEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1508164138 ZAXCQOKKICGOQS-MSOLQXFVSA-N 469.677 2.088 30 10 JEEE CN(C)S(=O)(=O)c1ccccc1Cn1c(-c2ccccn2)nnc1N1CC[C@@](F)(C#N)C1 1517019847 BFNPFYSWDPYLNE-OAQYLSRUSA-N 455.519 2.081 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1ccc(C)cc1OCCOC)[C@@H]1CCS(=O)(=O)C1 1539216700 VYZARYRPNOPQDG-JOCHJYFZSA-N 495.605 2.349 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC(F)(F)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1539220809 LXBXHTNOFPSWMM-SJLPKXTDSA-N 450.511 2.201 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCCN(CC)C(=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1539639642 AOQJNDSYBBGWOE-IZIIKQMZSA-N 461.607 2.359 30 10 JEEE C=C(C)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCC(NS(C)(=O)=O)CC1 1539699736 BVQZGIJUYZDWTD-UHFFFAOYSA-N 485.614 2.330 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCCS(=O)(=O)C1 1540177579 RZMNPMCDBAFZBK-FQEVSTJZSA-N 459.616 2.476 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 1540868266 YKTSFCLWPVQDNF-GOSISDBHSA-N 466.521 2.125 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](C2CC2)C1 1540906066 ZSIHSASCGCLCME-RBUKOAKNSA-N 495.646 2.424 30 10 JEEE CC(C)(C)[S@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1541233053 BTCLKGQRURMMJI-OGPYBGEISA-N 467.599 2.466 30 10 JEEE C[C@@]1(C(N)=O)CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCN(CC(F)(F)F)C2)C1 1541994790 COHLRVFUEHLQSS-HRAATJIYSA-N 461.492 2.403 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H]2CCN(CCCc3ccccc3)C2=O)ccc1F 1545301385 HASOMDUFVNUDLN-FQEVSTJZSA-N 459.543 2.254 30 10 JEEE CCNC(=O)C(C)(C)Cn1c(-c2ccc(C)o2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1547741983 DTZBPTZSOPIBLM-INIZCTEOSA-N 477.573 2.386 30 10 JEEE CN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1CC(C)(C)N1CCOCC1 1554162561 CECGOAHQONWFTG-UHFFFAOYSA-N 451.575 2.133 30 10 JEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCc1nn(C)c2ccccc12 1567760383 AKGOODJAENZLJZ-IBGZPJMESA-N 453.568 2.385 30 10 JEEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1587884325 VCQGRQOPNRRVDQ-YKSBVNFPSA-N 475.597 2.131 30 10 JEEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(NC(=O)[C@H]2CCCO2)c1 1587904165 AIPNKVJIMZHGHK-LJQANCHMSA-N 459.510 2.161 30 10 JEEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1588272261 XBJMHFBKJOUUQF-YADARESESA-N 454.575 2.058 30 10 JEEE C=CCn1c(CCc2ccc(OC)cc2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1595428019 CXTODZYQZMXHJB-UHFFFAOYSA-N 480.613 2.198 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H]1c1nncn1C 1595476184 IUNSQGYTTILSKB-CRAIPNDOSA-N 454.510 2.329 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@@H](OCCOC)C1 1595507020 TZSVWWCPSNHRDL-OAHLLOKOSA-N 482.354 2.391 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 1595785018 PPOOGNLBZNAGGO-SFHVURJKSA-N 476.603 2.434 30 10 JEEE CC(=O)N1CCCN([C@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCC(C)(C)O)C[C@H]2C)CC1 1596136115 QLOAXQZWXXXXQH-XXBNENTESA-N 479.629 2.357 30 10 JEEE Cc1cc([C@](C)(O)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@](C)(C#N)C2)c(C)o1 1611902587 BCAHRDNRLPTJBB-IWMITWMQSA-N 464.592 2.136 30 10 JEEE C=C(C)CN1CCC(NC(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 1632863155 PNLCGBBZNDLNEH-UHFFFAOYSA-N 451.589 2.063 30 10 JEEE N#Cc1cnc(C(=O)N2CCN(C(=O)N3CCN(Cc4ccccc4)CC3)CC2)c(Cl)c1 1634121386 HINBMBPXNQGRDI-UHFFFAOYSA-N 452.946 2.302 30 10 JEEE N#Cc1cc(F)c(S(=O)(=O)N2CCNC(=O)[C@H]2c2cccc(Br)c2)c(F)c1 1662865292 CMBWRFZSAUOJMB-OAHLLOKOSA-N 456.268 2.461 30 10 JEEE C#CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(c2cnccn2)CC1 1690155099 FQJICRMAAPOZNJ-UHFFFAOYSA-N 497.028 2.345 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(CCOC)C(=O)C1 1690240027 AMVJULJOLJNVPV-KNQAVFIVSA-N 455.559 2.230 30 10 JEEE C=C(C)COCCn1c(-c2ccc3ccccc3n2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1690306343 UATDYKTWKOCPOM-UHFFFAOYSA-N 491.596 2.259 30 10 JEEE C=CCCOCCn1c(-c2ccccc2C)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1690503690 LDQBXRCPOKAYHW-UHFFFAOYSA-N 466.586 2.117 30 10 JEEE C=CCn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1690629728 CHNBMXMQSNZXNN-DNVCBOLYSA-N 476.423 2.221 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCCN(CCC)C(=O)C1 1690725230 JAKDGXPAYURQRY-UHFFFAOYSA-N 463.579 2.058 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CC1CC(F)(F)C1 1692862485 FNPMWWKILJIWMJ-KSSFIOAISA-N 480.541 2.383 30 10 JEEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@H](C(C)C)N1CCOCC1 1705500362 MBILJISOTPZFSK-AHWVRZQESA-N 493.700 2.458 30 10 JEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1705526345 IWQKJMAMYDAQMU-LJQANCHMSA-N 472.615 2.104 30 10 JEEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1705532244 JRDUPKUSUXMGSK-IRLDBZIGSA-N 494.644 2.233 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccc(-n2ccnc2C)nc1 1705577305 ZNMCBJKBCYWOPT-UHFFFAOYSA-N 485.573 2.359 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H](C(C)C)N1CCCC1 1705580865 RXOOYZDSJPIGKO-JOCHJYFZSA-N 457.582 2.385 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCC(OCCOC)CC1 1705898206 DSKNVLOSKRYFAX-UHFFFAOYSA-N 450.543 2.427 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1705933643 OCEINVUQIAOLDX-FQEVSTJZSA-N 468.583 2.009 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1705936940 BZKNMYYYLKKDJS-LJQANCHMSA-N 472.615 2.369 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 1705937105 ITOMLYOLARWKAA-HXUWFJFHSA-N 488.658 2.243 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCC=C(Br)C2)nnc1[C@@]1(OCC)CCOC1 1705938510 ARCRYGOHOPMASZ-GOSISDBHSA-N 475.409 2.020 30 10 JEEE CCO[C@]1(c2nnc(N3CCC(C#N)CC3)n2CCNC(=O)c2ccccc2F)CCOC1 1710447683 HZQZJJPMNOUSQZ-HSZRJFAPSA-N 456.522 2.239 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@](C)(O)c2ccsc2)c1 1722305509 IEGPDGDYWKMZGW-DEOSSOPVSA-N 480.594 2.442 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2CC2(S(C)(=O)=O)CCCC2)c1 1722310651 YHMZSHKACAQBEQ-UHFFFAOYSA-N 493.593 2.149 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2CCN2CCSCC2)c1 1722310730 ZSGBSJLKDQQLIO-HXUWFJFHSA-N 468.627 2.277 30 10 JEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 1722323337 CXHFFGGBTXQWLM-IRXDYDNUSA-N 468.624 2.137 30 10 JEEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1722324783 YJJMXJJBRQPFJE-UHFFFAOYSA-N 498.031 2.019 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1CCc1cccc(C(=O)N(C)C)c1)[C@@H]1CCS(=O)(=O)C1 1722358309 GJNJGNAEPNYSKX-HXUWFJFHSA-N 471.627 2.147 30 10 JEEE C#CCN(c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@H](COC)OC)[C@@H]1CCS(=O)(=O)C1 1722358757 FWWCQDXTLLHNTJ-QXAKKESOSA-N 492.667 2.420 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@H](C)N1CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1722362300 SNAGKBVNUUVDFH-HLAWJBBLSA-N 470.643 2.396 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1C[C@@H](C)NC(=O)OC(C)(C)C 1722398402 XSZHQYSEGXKJNJ-MRXNPFEDSA-N 454.531 2.382 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](COC)C1 1722496750 ZSUKASORBRGTNN-ZVDOUQERSA-N 476.599 2.181 30 10 JEEE C=C(C)COCCn1c(N2C[C@@H](C)OC3(CCOCC3)C2)nnc1[C@@]1(OCC)CCOC1 1722535660 DKOZOCSCVZWPKI-AUSIDOKSSA-N 450.580 2.297 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 1722679615 HGMACNPLSOLQJG-INDMIFKZSA-N 474.606 2.371 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H](CNC(C)=O)C1 1722691844 UUTFNAZYNLMQPQ-SJLPKXTDSA-N 458.538 2.212 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCO3)n2Cc2cccc(OCC(=O)N(C)C)c2)C1 1722720887 CCWNLUGNSQTPBX-LEWJYISDSA-N 455.559 2.426 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1722723869 HJIQZNRUXGAXDV-ZWKOTPCHSA-N 495.552 2.395 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(Cc2cccc(Cl)c2)CC1 1722726862 CNOYNXFQABJHNQ-IBGZPJMESA-N 480.034 2.358 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1722736601 CDWJFAPJRWCYLQ-YESZJQIVSA-N 469.608 2.080 30 10 JEEE CC(C)(C)[S@@](=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1723018829 DVYYGZXQQMPTBG-DHUJRADRSA-N 497.669 2.255 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2cccn2C)n1C[C@]1(O)CCO[C@H]1C 1730749793 CBSPAIOCBMPKIT-MHECFPHRSA-N 450.543 2.348 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2C[C@@H](C)N2CCN(CC)CC2)c1 1740562437 KACXAIOZCIXKAV-GGAORHGYSA-N 493.656 2.254 30 10 JEEE C#CCN1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CCSC(C)C)CC1 1740692880 QQVIPQCZCWWYGN-UHFFFAOYSA-N 475.688 2.443 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@@H](C(=O)NC)C1 1740710585 ZZUUISKGZMHDKB-GOSISDBHSA-N 454.600 2.476 30 10 JEEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C)cc2)CC1 1740738320 GGASGSWRUWVSCM-MRXNPFEDSA-N 483.436 2.432 30 10 JEEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)c2ccsc2)CC1 1740886014 UAECDYXKUUJUIS-GOSISDBHSA-N 458.588 2.236 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@@H](c2ccc(F)cc2)C1 1740950712 FCVGODDLDOFDLC-LJQANCHMSA-N 458.538 2.216 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCCN(c2nc(C)ns2)CC1 1740956993 XUMKVECSADOCGC-UHFFFAOYSA-N 473.994 2.172 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC(C(=O)NC2CCCCC2)CC1 1740958302 MTWYVPDAAMIHNI-FQEVSTJZSA-N 458.607 2.487 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H]2CC(=O)N(CCOC)C2)C1 1740984556 FBBPXDOOSUMNLZ-GPQLQYNLSA-N 475.634 2.473 30 10 JEEE CO[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1)C(C)C 1748423517 DZMCSPWASYTZMU-VXKWHMMOSA-N 465.602 2.231 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1Cc1nc(C)cs1)[C@@H]1CCS(=O)(=O)C1 1748818867 HJCXSXSCUROJBH-MRXNPFEDSA-N 462.626 2.074 30 10 JEEE C#CCN(CC)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1748931091 LATASQRUGBTHEA-LJQANCHMSA-N 459.529 2.459 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H]2CCCCN2CCCC)CC1 1748979263 WVQYLZXGNGFKTD-WIOPSUGQSA-N 458.651 2.340 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCCc3ccccc3)n2CC2([S@@](C)=O)CC2)CC1 1749015467 FCAGCBBDNIJXHR-MGBGTMOVSA-N 467.639 2.330 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(F)(F)F)CC1 1749115020 KLAYGQVELVKRPY-IAGOWNOFSA-N 456.513 2.180 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCC(Nc2cc(OCC)ncn2)CC1 1749659131 VRJRQMMYNVZGCU-UHFFFAOYSA-N 466.546 2.418 30 10 JEEE C=CCOc1ccc(Cn2c(N3CCN(C(=O)NC)CC3)nnc2[C@]2(OCC)CCOC2)cc1 1749686439 BEWTUSMVAFPEMZ-DEOSSOPVSA-N 470.574 2.005 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1749731831 LRQNGESPWKGLHF-HXUWFJFHSA-N 492.690 2.060 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1CCN(C(C)=O)CC1 1760112687 LECDSLZVZLXDFB-GOSISDBHSA-N 450.591 2.169 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(C(F)(F)F)cc1 1760210841 XRSNXIORFMCXJU-OAHLLOKOSA-N 453.490 2.418 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2ccc(OCC)c(OCC)c2)CC1 1760251873 KEKFOFUTMMEKCJ-UHFFFAOYSA-N 480.613 2.309 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](c2ccsc2)N(C)C)CC1 1760252323 PEUYKMCURJEBIT-LJQANCHMSA-N 464.599 2.045 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2Cc2ccc(F)cn2)CC1 1760254771 KLXBLPZVSPTJQO-UHFFFAOYSA-N 458.339 2.384 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2Cc2cccnc2OCC(F)(F)F)CC1 1760262745 YUAADDPWXVXNPS-UHFFFAOYSA-N 471.487 2.404 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H](C)Oc2ccccc2F)CC1 1760263646 JSVVTWSZJMQCFM-DXIQSLLYSA-N 457.550 2.364 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@@H]2CCC(F)(F)C2)CC1 1760266197 RYORDCHWUWAWOM-IAGOWNOFSA-N 453.534 2.403 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C(C)(C)C)C1 1760322368 RKSHJOJQLGAFQT-ZRNYENFQSA-N 481.663 2.465 30 10 JEEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCN1C[C@H](C)O[C@H](C)C1 1760457151 IDBULIRASSJEBD-KDURUIRLSA-N 476.647 2.317 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CN2CCCC2=O)n1C[C@H]1NC(=O)CC1(C)C 1760480144 MMEGGDZCMZWDIN-HXUWFJFHSA-N 461.570 2.379 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1760516425 NAFCXCGAXXCUHR-WIYYLYMNSA-N 472.565 2.160 30 10 JEEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@H]2c2ccc(O)c([N+](=O)[O-])c2)c1 1862705702 FCRHTRCYTMMOJE-IBGZPJMESA-N 455.423 2.023 30 10 JEEE CCOC(=O)c1ccc(N2C[C@@H](C(=O)Nc3c(C#N)nnn3-c3cccc(OC)c3)CC2=O)cc1 1870151380 UVRIVTPZXYYLOK-INIZCTEOSA-N 474.477 2.316 30 10 JEEE CCCCCCCCn1cc(OCC(=O)NCCOC)c(=O)cc1CN1CCN(C(C)=O)CC1 1870520098 ULZPWISIYUMLKV-UHFFFAOYSA-N 478.634 2.014 30 10 JEEE C=CCn1cc(OCC(=O)Nc2cccc(C)c2C)c(=O)cc1CN1CCC(C(N)=O)CC1 1870753011 UPPNUFCBOVZPSC-UHFFFAOYSA-N 452.555 2.366 30 10 JEEE COc1ccc(/C=N/n2c(CNC(C)=O)nnc2SCC(=O)N[C@H](C)c2ccccc2)cc1O 1874435923 DPWKHDJBPRPLSH-HURLIOHXSA-N 482.566 2.480 30 10 JEEE COC(=O)C1(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CCN(C(=O)OC(C)(C)C)CC1 2177012533 DTTSRMYZYBHSMU-INIZCTEOSA-N 480.562 2.148 30 10 JEEE Cc1ccc(S(=O)(=O)NOCCNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2255743863 IHQLETYJRVPDDR-UHFFFAOYSA-N 456.370 2.029 30 10 JEEE CC(C)(C)OC(=O)N1CC(CNS(=O)(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2255948957 RWNKRKRBYMZNPX-UHFFFAOYSA-N 452.382 2.131 30 10 JEEE COC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1nscc1B1OC(C)(C)C(C)(C)O1 2256595556 NCMGBCCNDOTCJY-JSGCOSHPSA-N 455.386 2.159 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1COC[C@@H]1NC(=O)c1cccc(F)c1B1OC(C)(C)C(C)(C)O1 2266982374 QIHDANTXASEQLQ-HOTGVXAUSA-N 450.316 2.147 30 10 JEEE CC(C)(C)OC(=O)NC1(C(N)=O)CCN(C(=O)C2CC(B3OC(C)(C)C(C)(C)O3)C2)CC1 2267091186 PPCMJZXUMJILFY-UHFFFAOYSA-N 451.373 2.230 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H](C)CN(C)C(=O)OC(C)(C)C 2267128483 RLIJRCCSTNJTJF-OAHLLOKOSA-N 450.389 2.435 30 10 JEEE Cc1csc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2O)c1B1OC(C)(C)C(C)(C)O1 2267155012 NSXKXOJRMYAFGW-HUUCEWRRSA-N 466.409 2.456 30 10 JEEE CC1(C)OB(c2cnc(C(=O)N3CC4(CC(NC(=O)OCc5ccccc5)C4)C3)nc2)OC1(C)C 2267169017 HGAWXUMHQICUQS-UHFFFAOYSA-N 478.358 2.307 30 10 JEEE COCC[C@H](CNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2267466722 GDTINZZEPZNTES-CQSZACIVSA-N 490.453 2.255 30 10 JEEE CC1(C)OB(c2ccc(NC(=O)[C@@](C)(NC(=O)C(F)(F)F)C(F)(F)F)nc2)OC1(C)C 2268628482 IPXPCRZFUBZFPL-OAHLLOKOSA-N 455.164 2.319 30 10 JEEE C[C@@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)N1CCc2sc(B3OC(C)(C)C(C)(C)O3)cc2C1 2268652594 IAGMDENTRAZCGF-DYVFJYSZSA-N 466.409 2.206 30 10 JEEE CC(C)(C)OC(=O)NC12CCC(C(=O)N=c3nc(B4OC(C)(C)C(C)(C)O4)[nH]s3)(CC1)C2 2268713654 AARWDZNBTSLLHZ-UHFFFAOYSA-N 464.397 2.425 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](C(=O)NC/C=C/B2OC(C)(C)C(C)(C)O2)S(=O)(=O)C(C)(C)C1 2273726046 APTDWFSMXXFIPG-NKSUMMKUSA-N 472.413 2.103 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2c(F)cccc2B2OC(C)(C)C(C)(C)O2)[C@@H](O)C1 2281784066 SXHJGAFWBYHZCE-IRXDYDNUSA-N 464.343 2.225 30 10 JEEE CC1(C)OB(c2cnsc2C(=O)NC[C@@]23CN(Cc4ccccc4)C[C@@H]2CCO3)OC1(C)C 2282016059 SIKWINJBDLNJLF-MHECFPHRSA-N 469.416 2.463 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(F)c(C(=O)NC2(CNC(=O)OC(C)(C)C)COC2)c1 2282025184 LLOUDKVTPAXHSH-UHFFFAOYSA-N 464.343 2.457 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]3C2)n1 2282042034 FAHGCRQALSAPLJ-HZPDHXFCSA-N 460.384 2.048 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1C[C@@H](O)C[C@@H]1CNC(=O)OC(C)(C)C 2282122752 LKVMQUPHOCDWEF-MSOLQXFVSA-N 460.380 2.394 30 10 JEEE Cn1cc(C(=O)NC[C@]23CC[C@H]2CN(Cc2ccccc2)C3)nc1B1OC(C)(C)C(C)(C)O1 2282543692 LSTSIDFOILZUTE-DFBJGRDBSA-N 450.392 2.361 30 10 JEEE Cn1cc(C(=O)NCC2(C)CCN(C(=O)OC(C)(C)C)CC2)c(B2OC(C)(C)C(C)(C)O2)n1 2282590302 ZDXTUXJCAQHSAM-UHFFFAOYSA-N 462.400 2.486 30 10 JEEE CC(C)(C)OC(=O)N1CCC(CO)(NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CC1 2282666060 UTXMNEJNZFGWMP-UHFFFAOYSA-N 460.380 2.478 30 10 JEEE Cc1c(B2OC(C)(C)C(C)(C)O2)cccc1C(=O)NC1(CCO)CN(C(=O)OC(C)(C)C)C1 2282685130 AMJJLTNXVSCNSG-UHFFFAOYSA-N 460.380 2.396 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C1 2282690004 PAXNUFDFPLXKMX-HIFRSBDPSA-N 457.302 2.336 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2O)C1 2282818181 CUDMXYXWOCHMPU-MRXNPFEDSA-N 462.352 2.057 30 10 JEEE CCC(CC)(CNC(=O)OC(C)(C)C)NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282860396 ZMHJPMJLNZZQOK-UHFFFAOYSA-N 486.444 2.081 30 10 JEEE CC1(C)OB(c2ccc(C(=O)NC[C@H]3CCCN(C(=O)C(F)(F)F)C3)c(O)c2)OC1(C)C 2282883287 YFLDMJQTBMQLBC-CYBMUJFWSA-N 456.270 2.222 30 10 JEEE CC(C)(C)OC(=O)N1CC2(CCN2C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(O)cc2O)C1 2282911326 NGTBQPJBVROHOP-UHFFFAOYSA-N 460.336 2.232 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]1CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(O)cc1O 2282973920 FJSILWKEEROJBA-KGLIPLIRSA-N 462.352 2.288 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)c1ccco1 2283059117 GTOJWKPCYSGYNW-AWEZNQCLSA-N 458.324 2.365 30 10 JEEE CC(C)(C)OC(=O)N[C@H](Cc1ncns1)C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2284039226 JWCXCZSKSFEMER-CQSZACIVSA-N 475.380 2.307 30 10 JEEE COc1ccc(NC(=O)[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2284045688 PWFUVVUVHINMDL-QHCPKHFHSA-N 462.352 2.305 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1)[C@@H](O)C(F)(F)F 2284059274 FRVAMHJOIROCEB-ZIAGYGMSSA-N 475.273 2.136 30 10 JEEE CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[C@H](B2OC(C)(C)C(C)(C)O2)C1)[C@@H](O)C(F)(F)F 2319734207 OLVLPAYZYMHOLK-RWMBFGLXSA-N 452.279 2.498 30 10 JEEE COc1cccc(C=Nn2c(SCCO)nnc2[C@@H]2CC(=O)N(Cc3ccccc3)C2)c1O 2325924941 HVSWDXOMSQGPNN-GOSISDBHSA-N 467.551 2.475 30 10 JEEE C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(F)c(B2OC(C)(C)C(C)(C)O2)c(F)c1 2341180170 XWLNLJRYLAGXBF-BZNIZROVSA-N 456.295 2.477 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@H](C(=O)N3CC[C@@H](B4OC(C)(C)C(C)(C)O4)C3)O[C@@H]2C1 2342470067 JXRMHHRKXJRRPM-YYIAUSFCSA-N 452.357 2.084 30 10 JEEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@]1(C(=O)N=c3nc(B4OC(C)(C)C(C)(C)O4)[nH]s3)C[C@H]21 2359389980 LFQQKJNUXRLGRR-BJYFIVITSA-N 476.408 2.376 30 10 JEEE Cn1cnc(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 2362351035 ZUVRNPDPIQFHMG-KLHDSHLOSA-N 460.384 2.141 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@]12CCCN(C(=O)OC(C)(C)C)C[C@H]1C2 2362352396 CUPIUDFGQGFECI-IQMFZBJNSA-N 460.384 2.239 30 10 JEEE CC(C)(C)OC(=O)NC[C@@]12CN(C(=O)c3cnsc3B3OC(C)(C)C(C)(C)O3)C[C@@H]1CCO2 2362503025 LOMXGRGJKIOAIK-RCDICMHDSA-N 479.408 2.198 30 10 JEEE CCCn1c(N2CCN(C)CC2)c(/C=C2/SC(=S)N(CCOC)C2=O)c(C)c(C#N)c1=O 33812606 JUQCWADYKPZSEI-QGOAFFKASA-N 475.640 2.038 30 10 JEEE COc1cc(-c2cc(C(=O)N3CCC[C@H](Oc4nccnc4C#N)C3)[nH]n2)cc(OC)c1OC 238810565 AEVXSBXJVDPYEV-HNNXBMFYSA-N 464.482 2.448 30 10 JEEE O=C(O)CCCC(=O)N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(OC(F)(F)F)cc1 254352324 UDOBRHAEFPITPI-QWHCGFSZSA-N 466.459 2.442 30 10 JEEE NC(=NO)c1cc(F)c(-n2cnc(I)c2I)c(F)c1 311539920 IVCJAINLCKVGLF-UHFFFAOYSA-N 489.989 2.454 30 10 JEEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1[C@@H](C)c1cccs1 729672500 QRHUAPVJSYIAKP-HNNXBMFYSA-N 463.588 2.256 30 10 JEEE C=CCNC(=O)CNC(=O)[C@@H](CCC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 757448371 MBBBSSNSGILHMB-OAQYLSRUSA-N 465.506 2.177 30 10 JEEE Cc1nn(-c2ccccc2)c(N2CCOCC2)c1C=NNc1nc(SCCN2CCOCC2)n[nH]1 1084448584 UHUILZOVCYQOLE-UHFFFAOYSA-N 497.629 2.006 30 10 JEEE CCN(CC)C(=O)CN1CCCN(C(=O)COc2ccc(C#N)c(Br)c2)CC1 1144284931 HPRYITQLAORILA-UHFFFAOYSA-N 451.365 2.102 30 10 JEEE C#C[C@H](NC(=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)c1)C1CCOCC1 1167414306 YBRGHVDSBYJQEU-FQEVSTJZSA-N 456.520 2.417 30 10 JEEE CC(C)(C)OC(=O)NCCC(=O)NC[C@H]1CCCCN1S(=O)(=O)c1ccc(C#N)s1 1189514822 CEYZMZZNKPRVSH-CQSZACIVSA-N 456.590 2.194 30 10 JEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C[C@@H]2COCCN2C(=O)OC(C)(C)C)cc1 1264609481 TVYXDXCUYVPWQV-QGZVFWFLSA-N 453.561 2.458 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1c[nH]c2cc(C)ccc12 1286467771 UQXJYNKHRUUTGR-LJQANCHMSA-N 455.584 2.299 30 10 JEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CO)(Cc2ccccc2)CC1 1286503805 FPHBEIHKLXURQO-FQEVSTJZSA-N 453.612 2.417 30 10 JEEE C#CCSCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1286504630 UDRVNTFIVZIYBP-HXUWFJFHSA-N 485.639 2.015 30 10 JEEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1286538891 SZLBOYCDXIQRLI-ROUUACIJSA-N 481.439 2.214 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(CNC(C)=O)CC1 1286561736 GUTLTTGKTKKAJR-MBDNFAEBSA-N 461.607 2.336 30 10 JEEE C=C(C)COCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(CNS(C)(=O)=O)CC1 1286605086 ZYNHTRZHINPZSS-UHFFFAOYSA-N 491.614 2.075 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 1286611426 KCFZQPWZTMAHLA-UYAOXDASSA-N 467.636 2.206 30 10 JEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1286711407 LEFLTVPPWDJQKC-LJQANCHMSA-N 483.635 2.078 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCCOCC1 1286820509 MNHDDJYFVCNMDO-GOSISDBHSA-N 483.635 2.220 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1CCC(=O)N1CCOCC1 1287050604 DFGBUXQZPNOODP-GAJHUEQPSA-N 491.568 2.041 30 10 JEEE CCN(CC)C(=O)CN1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(OC)CCOC2)CC1 1295326840 CXXUBDFDTRGPNN-SANMLTNESA-N 495.628 2.003 30 10 JEEE CN(Cc1ccoc1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1298420600 BWPASKIIKLVJRX-GOSISDBHSA-N 470.555 2.240 30 10 JEEE C#CCN(c1nnc([C@H]2COc3ccccc3O2)n1CCOCCC(C)C)[C@H]1CCS(=O)(=O)C1 1300496501 RVDHAQMBDZNJHQ-SIKLNZKXSA-N 488.610 2.480 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@@H](C)N2CCN(CC)CC2)CC1 1300684291 ZHRAOICUJIMDAO-FGZHOGPDSA-N 483.636 2.338 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CCCNC(=O)c2occc2C)CC1 1300724677 BHXNVGHZYLMOLJ-UHFFFAOYSA-N 454.575 2.164 30 10 JEEE C=CC1(CC(=O)N2C[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3C2)CN(C(=O)OC(C)(C)C)C1 1300757644 DRQGQRBPDRZXGA-KDURUIRLSA-N 453.539 2.443 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1300898735 ZWGZJPPYGJNNGY-SPEDKVCISA-N 493.605 2.448 30 10 JEEE C=C(Cl)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H](OCCOC)C1 1301019404 JJCNYWDBKULGHK-KRWDZBQOSA-N 469.995 2.190 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 1301578095 ROWLEXIQOSWIDT-UHFFFAOYSA-N 482.614 2.181 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1301585267 JXXPTVKKKVJBLH-UHFFFAOYSA-N 454.600 2.340 30 10 JEEE CC(C)Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CC[S@](=O)C(C)(C)C 1302954096 GLCZMLSCJZUXCJ-IQVDJAOASA-N 458.636 2.401 30 10 JEEE CCCOc1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(S(C)(=O)=O)CC2)cn1 1313513256 CZIZMLMQKBVLJF-UHFFFAOYSA-N 481.582 2.130 30 10 JEEE CCOCc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CCS(=O)(=O)C(C)(C)C 1314388105 FQDMXYATABVLQS-UHFFFAOYSA-N 478.594 2.365 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2C[C@H]2CCCS(=O)(=O)C2)c1 1358903495 YTJSQJVAXQLHJK-HXUWFJFHSA-N 492.605 2.145 30 10 JEEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1358918940 LXXYNUCLWYBGDT-UHFFFAOYSA-N 450.547 2.065 30 10 JEEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(N2CCOCC2)CCCCC1 1358941587 PUSWXFVXPICLRL-UHFFFAOYSA-N 471.627 2.453 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1ccc([C@@H](C)O)cc1)[C@@H]1CCS(=O)(=O)C1 1358961493 ACOIHHQYDLXFKS-UIFIKXQLSA-N 458.584 2.248 30 10 JEEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2CC2([S@@](C)=O)CCC2)CC1 1359037918 DBZVZUYYGQOFLY-JGCGQSQUSA-N 455.628 2.128 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2CCCOC2CCOCC2)CC1 1359043046 FCKOQEHYGSTBPS-UHFFFAOYSA-N 451.571 2.497 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2C[C@H]2CCC[C@@H](O)C2)CC1 1359043443 UIVPFGQIEQVEAK-AZUAARDMSA-N 451.571 2.471 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCN3CCN(c4ccccc4)CC3)n2CC(C)C)CC1 1359047172 UYBUMPKEAROFKH-UHFFFAOYSA-N 477.657 2.265 30 10 JEEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)CCC2CCCC2)CC1 1359117256 PJFRZSCMMJLCTC-QGZVFWFLSA-N 452.625 2.083 30 10 JEEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1359201947 FERASNYSBPOFIQ-UXHICEINSA-N 457.623 2.109 30 10 JEEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(C(=O)N2CCCCC2)cc1 1359231426 WGANVLWIDQIFMG-QGZVFWFLSA-N 460.604 2.185 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1359294430 TUXZOAAQAVPOJW-DLBZAZTESA-N 460.485 2.096 30 10 JEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CC[C@@](O)(c2ccc(C)cc2)C1 1359302542 KVIZHVHGMSSUOP-QHCPKHFHSA-N 452.584 2.342 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCC(CC(N)=O)CC1 1359330827 DSYGGPLCVQXMPZ-UHFFFAOYSA-N 470.599 2.129 30 10 JEEE C=C[C@H](C)ONC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(F)(F)F 1475874091 NRAZFBQEBBAVRV-LBPRGKRZSA-N 453.439 2.276 30 10 JEEE Cn1cc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCOc2ccc(S(C)(=O)=O)cc2)cn1 1503649762 HOPQWYHDEQEJQC-QFIPXVFZSA-N 469.571 2.291 30 10 JEEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1507558022 PJBIGRHJPQXTHA-FQEVSTJZSA-N 499.597 2.268 30 10 JEEE C#CCN(c1nnc(-c2ccccc2F)n1CCCNC(=O)C1CCC1)[C@H]1CCS(=O)(=O)C1 1507630160 ULIRJGXQJKFYBA-SFHVURJKSA-N 473.574 2.017 30 10 JEEE C#CCSCCn1c(COc2ccc(F)cc2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1507757665 XBGTZPHUDFNQQM-QHCPKHFHSA-N 486.573 2.177 30 10 JEEE CC(C)c1nc(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@H](C)C#N)cs1 1508423251 FWPVOSMUCSWYEN-WBVHZDCISA-N 481.648 2.029 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCC(=O)NC1CCCCC1 1509943532 DOEZFNHWNCWFHH-KRWDZBQOSA-N 462.562 2.498 30 10 JEEE CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N3CCCC(C)(C)[C@@H]3C#N)CC2)o1 1520585698 HKZUWVZIPWVXNP-KRWDZBQOSA-N 451.545 2.398 30 10 JEEE CCCn1c(CCC(=O)N[C@@H]2CC[C@H](C#N)C2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 1529660359 GJOVTXAOZGLTSI-ZWKOTPCHSA-N 473.599 2.208 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@](C)(O)c1cc(C)oc1C 1539397267 ZLQJQIBIRPWRDB-QHCPKHFHSA-N 452.515 2.129 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2Cc2ccc(OC)c(OC)c2OC)CC1 1539475987 PMQVVCGGCWJWGJ-UHFFFAOYSA-N 492.580 2.324 30 10 JEEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1Cc2ccccc2[C@H]1C 1539518455 ZVUNPHTYPIKSQP-VQIMIIECSA-N 461.613 2.059 30 10 JEEE C=C(C)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@@H](CNC(C)=O)C1 1539686497 YHQUGEUNGOLADA-SFHVURJKSA-N 459.620 2.475 30 10 JEEE C=C(C)Cn1c(N2CCN(C(=O)N3CCOCC3)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1539723512 STQZWFUTCDKTDM-KDURUIRLSA-N 489.621 2.199 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(COCC)cc2)CC1 1539849628 ZBCIFRQBDBFQJL-OAQYLSRUSA-N 475.615 2.352 30 10 JEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(C)(C)OC(C)(C)C1 1539968082 WNMFDGAIUQOVIG-KRWDZBQOSA-N 455.625 2.361 30 10 JEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2ccccc2)C[C@@H]1C 1540036039 JXDXFTUWOHPRRI-UNMCSNQZSA-N 473.643 2.484 30 10 JEEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCO[C@@H](C(C)(C)C)C1 1540869482 ONWRSESUOZNLFW-QGZVFWFLSA-N 451.531 2.147 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1540875682 URQHEOKVBQKPCR-UHFFFAOYSA-N 487.992 2.151 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F 1540905630 YCYLWALFDRRXKH-UHFFFAOYSA-N 483.520 2.253 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2nncn2C)c1 1587697750 WYCHKXFNDLGMSG-DENIHFKCSA-N 476.585 2.430 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 1588030331 SMQFXJOIRRASPB-QRFRQXIXSA-N 462.547 2.363 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H](N1CCOCC1)C(F)(F)F 1588185784 MCVQFXRJYOGSMF-SIKLNZKXSA-N 483.535 2.045 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC(=O)N1CCOCC1 1588575091 YFUFEOOMIPIGCL-QGZVFWFLSA-N 461.950 2.016 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCN2CCCC(C)(C)C2)CC1 1588750350 CPHMWDJDOICJKV-RUZDIDTESA-N 458.651 2.196 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Br)cc2)n1CC(=O)N1CCOCC1 1589243247 YPNPTTRCCWSBOE-JOCHJYFZSA-N 488.386 2.471 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1589530203 SVJAIYUVIMQTMX-UXLLHSPISA-N 467.496 2.165 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCS(=O)(=O)CC1 1589568210 HSYXANQULYYRIP-OXJNMPFZSA-N 450.536 2.212 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCN(c2nccc(OCC)n2)CC1 1589570753 WEOYJQWAHNADNA-GHTZIAJQSA-N 457.579 2.311 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)cc1OC 1589664092 UMEDYOHOZZMFNV-FQEVSTJZSA-N 463.604 2.379 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1589731565 QRLUNGAIXVJCBI-GOSISDBHSA-N 472.615 2.267 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCc2ccc(Br)cc2C1 1595467001 OZCOZOKYOGREIO-UHFFFAOYSA-N 473.375 2.142 30 10 JEEE C=CCNC(=O)Cn1c(N2CCN(C3CCC(C)CC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1595602250 HXEQLDGHQWWMOF-UXIGSVSMSA-N 474.650 2.322 30 10 JEEE C=CCO[C@@H]1CCN(C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c2ccc(C(C)(C)C)cc2)C1 1631483412 VVGLUSYLJKNOHR-WOJBJXKFSA-N 450.601 2.321 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC(CCCN3CCOCC3)CC2)ccc1F 1637126611 FTZRLBGYXQXLAT-UHFFFAOYSA-N 453.580 2.255 30 10 JEEE COC(=O)[C@@H](NCC(=O)N1CCN([C@H](C#N)C(C)C)CC1)c1ccccc1OC(F)(F)F 1655604677 DFWBISZLDVCDLF-APWZRJJASA-N 456.465 2.081 30 10 JEEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1689926016 FXDHPRBGYCGQDN-KRWDZBQOSA-N 468.583 2.009 30 10 JEEE C#CCCCn1c(N2CCN(CC(=O)N[C@@H]3CCC[C@@H](C)C3)CC2)nnc1[C@@]1(OCC)CCOC1 1689940684 AKVUOYAYCHZKDN-XLGIIRLISA-N 486.661 2.161 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1CCN1CCCC[C@H]1CC)[C@H]1CCS(=O)(=O)C1 1689986893 ZFMHNHZMZHOXAT-UXHICEINSA-N 456.616 2.231 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(OC(C)(C)C)nc2)CC1 1690142262 KWDLUJDXHKBHJP-UHFFFAOYSA-N 476.585 2.265 30 10 JEEE C=C(Cl)Cn1c([C@H](C)OCCOC)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1690331564 ZBUMJLBSXFKADU-IBGZPJMESA-N 469.030 2.279 30 10 JEEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1690361476 VUJCTMIYYIDPDY-RDJZCZTQSA-N 462.016 2.053 30 10 JEEE C=CC1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1690395017 VBCVICJXUAJSTP-HSZRJFAPSA-N 473.599 2.099 30 10 JEEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1690644451 LYCQIIFDPKMSGI-LJQANCHMSA-N 480.573 2.366 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(c2ncc(F)cn2)CC1 1690719988 XFZOPEUOGQJVEG-UHFFFAOYSA-N 491.980 2.455 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Br)nnc1N(C)C[C@@H](C)C(=O)NC 1690720188 AGVBTAOVZKMFSO-CQSZACIVSA-N 484.420 2.127 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1(C(N)=O)CCCC1 1705478592 DRGHGLKCLVMREX-OAHLLOKOSA-N 457.604 2.050 30 10 JEEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(C(C)C)CC1)[C@H]1CCS(=O)(=O)C1 1705560872 LMGHQGCILNCVBJ-IBGZPJMESA-N 490.651 2.412 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(OCC(F)(F)F)nc1 1705587580 ATSIAZKAOSBHBS-HKUYNNGSSA-N 463.460 2.459 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@]1(O)CCN(C)C1 1705619696 ZCJAIEBUMXKBQM-JWQCQUIFSA-N 471.577 2.164 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1Cc1ccc(OC)nc1OC 1705624763 OASNLYBPOWMHEZ-UHFFFAOYSA-N 451.483 2.220 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(F)ccc3Br)n2CCOCCOC)CC1 1705634456 WPEZGNFKWJBBDW-UHFFFAOYSA-N 466.355 2.265 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](c1cccs1)N1CCOCC1 1705667673 ZVLHDAKVJLIKNU-JBYIUTFZSA-N 492.671 2.015 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc3c(c2)OCCO3)n1CCS(=O)(=O)NC(C)C 1705671698 TULSRLMHAVNOMP-JOCHJYFZSA-N 459.572 2.036 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCc1cnn(C)n1 1705864651 ILWVPVUYQONJEX-SFHVURJKSA-N 473.578 2.273 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1705897428 MHIGKZCSWJZUMQ-NVXWUHKLSA-N 482.006 2.387 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1705899129 ITUOMKZUWIVXKE-IAGOWNOFSA-N 473.375 2.257 30 10 JEEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 1705907309 IDEWGOSEYZKBQX-GOSISDBHSA-N 482.614 2.227 30 10 JEEE C=CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@H](C)C1 1705942659 ZHRDFZLRNCAPLP-MRXNPFEDSA-N 451.618 2.340 30 10 JEEE 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 1705949898 MKBMLKIDMWKZKB-ZJPYXAASSA-N 495.646 2.328 30 10 JEEE CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@](C)(O)C2CC2)CC1 1708632797 DCXRZGMFNASBSP-CJAUYULYSA-N 465.602 2.014 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCNC(=O)c1ccccc1F 1722294207 PQLFYLUZVWOJML-MRXNPFEDSA-N 483.573 2.265 30 10 JEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1722317886 YBPNUOVNAZEGKG-IBGZPJMESA-N 473.574 2.085 30 10 JEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1 1722324485 SIWGIVZHANTCNO-DLBZAZTESA-N 482.651 2.431 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cc2ccccc2[nH]1 1722331978 BMANDFWGSBPOAX-HXUWFJFHSA-N 456.572 2.142 30 10 JEEE C#CCCCn1c(COc2ccc(OC)cc2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1722340302 UECKLLBTFLOIOP-RDPSFJRHSA-N 480.613 2.268 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1C[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1722358733 FMXZVQAPQKWWAY-GDBMZVCRSA-N 452.939 2.401 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CC(C)(C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1722360165 ZOKVDMOEVVSBMY-QGZVFWFLSA-N 458.588 2.234 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1722363144 QWDDZMOKXLAJAV-FQEVSTJZSA-N 458.584 2.397 30 10 JEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1C[C@@H]1CCOC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1722372125 PPMFZJSJLWABGG-BVSLBCMMSA-N 486.638 2.371 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCCc2cnn(C)n2)CC1 1722440647 BNFCBLWCBJGVIS-UHFFFAOYSA-N 454.966 2.027 30 10 JEEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1722457785 NOHWDJGQNMXRJR-UHFFFAOYSA-N 451.531 2.203 30 10 JEEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H]1COc2ccccc2O1 1722481718 AAGYWCDSKCNJBL-GJZGRUSLSA-N 483.388 2.365 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCN(C(=O)NCC)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1722501003 NVTFRXKIVXQWRU-JXALWOEJSA-N 476.622 2.151 30 10 JEEE C=CCN(c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC(=O)N1CCOCC1)C1CC1 1722649582 UXMBSSQMNYOUSG-UHFFFAOYSA-N 474.606 2.406 30 10 JEEE C=CCN(CC=C)c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1CN1CC[C@H](O)C1 1722664993 JDPUUGGAGZBZMH-QFIPXVFZSA-N 450.587 2.307 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCSC1(C)C 1722672603 VATGDOGFNJDOGI-DLBZAZTESA-N 455.650 2.321 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCc2ccc(S(C)(=O)=O)cc2)C1 1722709307 NDQVIEHQOMWPPT-IBGZPJMESA-N 496.593 2.353 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCn2cc(Br)cn2)C1 1722710215 FNGBVQAMQHUTGI-FXAWDEMLSA-N 481.395 2.371 30 10 JEEE C[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CN2CCOCC2)CC1)N(C)C 1723856564 HGSAIGDOEFLJRA-FQEVSTJZSA-N 467.618 2.227 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCc1ccc(NC(C)=O)cc1 1727230078 HHGHOERCBQYZRB-FQEVSTJZSA-N 453.547 2.126 30 10 JEEE CCN(CCCn1c(-c2cccc(C#N)c2)nnc1N1CCOC2(CCC2)C1)S(C)(=O)=O 1728494103 CBELUMKNWBELDD-UHFFFAOYSA-N 458.588 2.248 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1Cc1ccc(C)cc1F)[C@H]1CCS(=O)(=O)C1 1740616015 PSADQGIWSKSXQX-IBGZPJMESA-N 475.590 2.319 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1740616732 FYUXBTXXFJGLOU-ILZDJORESA-N 495.001 2.114 30 10 JEEE C#CCN(c1nnc([C@@H](C)CC)n1CC(F)(F)C1(OC)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1740617846 XYXKQIKJRUSWSH-DLBZAZTESA-N 474.574 2.249 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1740620134 NYHLWEDOWBHLFT-NRFANRHFSA-N 463.567 2.039 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H](OC)c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1740620570 FCLMXDUQZPBWFG-FPOVZHCZSA-N 469.542 2.494 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1C[C@@H]1CN(Cc2ccccc2)CCO1)[C@H]1CCS(=O)(=O)C1 1740624992 CEIUAELYUMQUGJ-GOTSBHOMSA-N 485.654 2.004 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1Cc1ccc(OC)nc1OC)[C@@H]1CCS(=O)(=O)C1 1740626657 YBYBSRLRSSMHRQ-GOSISDBHSA-N 487.607 2.018 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1Cc1ccc(C(N)=O)nc1 1740668982 HTUXVJUAUBUQHK-UHFFFAOYSA-N 470.537 2.067 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CC[C@@H]2CCO[C@H](C)C2)CC1 1740706890 HIJMOXRIMFVTOG-TZIWHRDSSA-N 450.587 2.435 30 10 JEEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1740750925 VSRPFBLEEUWRTO-ARFHVFGLSA-N 456.385 2.406 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC(C)(C)C 1740760679 KJHZVBXMBCMEOT-KSZLIROESA-N 455.625 2.075 30 10 JEEE C=CC[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1)c1ccccc1 1740856353 SGVRJKCLBHAMSL-TYPHKJRUSA-N 486.642 2.355 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1740964846 WBPIBZXDQOJAOV-UHFFFAOYSA-N 499.635 2.293 30 10 JEEE CC(C)[C@@](C)(O)Cn1c(CN2CCCC2=O)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1741307232 GWLTUZLMXHTLLO-SANMLTNESA-N 479.629 2.391 30 10 JEEE CC[C@@H](C)NC(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1743895112 HCBVFTDPSFAMHK-QUCCMNQESA-N 466.590 2.418 30 10 JEEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCc2nn(C)c(=O)cc2C1 1748735410 SIHLGDCSRLCAPC-UHFFFAOYSA-N 464.526 2.041 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1nc(C)c(C)s1)[C@H]1CCS(=O)(=O)C1 1748804311 FQRTUXOVAIQXNV-AVRDEDQJSA-N 493.655 2.067 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC[C@@H]1CCO[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1748815282 OFJZVXZCAYWZDB-WTGUMLROSA-N 450.605 2.352 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1749003542 MRUVAJYHGHNKJY-LJQANCHMSA-N 493.568 2.078 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1749121084 KIEGQQPVVRNOFO-VSKRKVRLSA-N 450.543 2.139 30 10 JEEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC(C(=O)NCCOC)CC1 1749604395 QAJHYTJICLFVLX-UHFFFAOYSA-N 460.966 2.027 30 10 JEEE C=CCn1c(N2CCC(N(C)S(C)(=O)=O)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1749643524 SWPLIIOCJKHYLB-IYBDPMFKSA-N 468.624 2.095 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1749658900 XUSXFUZZRZJCOI-KBPBESRZSA-N 469.995 2.167 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC2(N(C)C)CCOCC2)C1 1749717677 OPFIPSQFCQKYCK-GOSISDBHSA-N 474.631 2.162 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCc2cc(Cl)ccc2C1 1749721871 VXSFUAMZMJQQRL-UHFFFAOYSA-N 451.980 2.233 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1749738615 RWKUJEURPCHVTG-RTWAWAEBSA-N 460.600 2.048 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccn2C)n1CCCN1CCN(c2ccncc2)CC1 1760215952 TYVUAFQURRYUEY-UHFFFAOYSA-N 456.598 2.354 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1cccc(OC)c1)N1CCCC1 1760234041 RYFLOFKYXWOARU-UNMCSNQZSA-N 471.627 2.485 30 10 JEEE C#CCN1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@H]2CCN(CC)C2)CC1 1760259883 QZZUWDZBVSYDGR-NRFANRHFSA-N 485.677 2.490 30 10 JEEE C=C(Br)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1760302825 RDCSHLVYJSIFPN-UHFFFAOYSA-N 468.787 2.112 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nnc(C(C)(C)C)s1 1760337063 MXSJQSZJXSSGNY-HNNXBMFYSA-N 483.664 2.211 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(c2ccnn2C)CC1 1760412441 LCMVGDSOBABNRL-HXUWFJFHSA-N 491.662 2.331 30 10 JEEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1760507445 GNIRAILHLXSBFT-FQEVSTJZSA-N 471.587 2.176 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CCC(NC(C)=O)CC1 1760519161 UQKLNVURAWQFBJ-UHFFFAOYSA-N 461.364 2.115 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCN(C2CCC(C)CC2)CC1 1760554002 OEFBEKVQTVTOHS-UHFFFAOYSA-N 459.620 2.037 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1762301951 HNIOBORUEUUFHG-WBVHZDCISA-N 463.583 2.181 30 10 JEEE CC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)C(=O)NC)CCN1CCOC 1763490336 GOFDASHXRUQXSM-FQEVSTJZSA-N 453.591 2.136 30 10 JEEE CO[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(S(C)(=O)=O)CC1)C(C)C 1768131595 FRJOWKXNSOHOGJ-HXUWFJFHSA-N 461.588 2.413 30 10 JEEE CCN(CC)C(=O)[C@@H](C#N)C(c1cc(OC)c(O)c([N+](=O)[O-])c1)[C@H](C#N)C(=O)N(CC)CC 1848438988 GBNYBGKWCCWSJE-HOTGVXAUSA-N 459.503 2.409 30 10 JEEE N#Cc1ccc(NC(=O)c2nc(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)c3ccccn23)cc1 1858241967 MOEBYYVSGVTZQN-UHFFFAOYSA-N 488.529 2.078 30 10 JEEE O=C(C1=C(O)C(=O)N(CCO)[C@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2)c1c(F)cc(F)cc1F 1862466347 QSKPVZNPHNOEGY-SFHVURJKSA-N 480.351 2.354 30 10 JEEE N#Cc1nnn(-c2ccc(N3CCCC3)cc2)c1NC(=O)c1ccc(N2C[C@H](C(=O)O)CC2=O)cc1 1870151297 RKOFBLOXZRCLHQ-QGZVFWFLSA-N 485.504 2.429 30 10 JEEE C=CCn1cc(OCC(=O)Nc2sc(C)c(C)c2C(=O)OCC)c(=O)cc1CN(C)CCO 1870588145 WLSBPTZVDJJQDI-UHFFFAOYSA-N 477.583 2.331 30 10 JEEE C=CCn1cc(OCC(=O)Nc2cccc(Cl)c2C)c(=O)cc1CN1CCN(CCO)CC1 1870639117 JETUUWCFPVBHIJ-UHFFFAOYSA-N 474.989 2.124 30 10 JEEE C=C(Br)CS(=O)(=O)NC[C@H](C(F)F)N1CCN(C(=O)OC(C)(C)C)CC1 1877299934 UDNKNOBQGBAOGZ-GFCCVEGCSA-N 462.357 2.001 30 10 JEEE CC(C)N1C(=O)CS[C@H](C(=O)N2CCN(c3ccncn3)CC2)[C@H]1c1ccc(C#N)cc1 1889496365 FGNXQWJMXKTYQO-YADHBBJMSA-N 450.568 2.091 30 10 JEEE CC(C)N1C(=O)CS[C@H](C(=O)N2CCN(c3cc(N(C)C)ncn3)CC2)[C@H]1c1ccc(C#N)cc1 1889638009 GNVOZVWBQHNDFG-RPWUZVMVSA-N 493.637 2.157 30 10 JEEE CN1CCN(CC#CCOC2CCN(C(=O)c3cccc(F)c3Br)CC2)CC1 1890041894 CLIPOYZSWRAOHJ-UHFFFAOYSA-N 452.368 2.460 30 10 JEEE COc1ccccc1OCC#CCNC(=O)C1CN(c2nc3ccc(S(C)(=O)=O)cc3s2)C1 1890694518 VFNWHSKVLCWNLA-UHFFFAOYSA-N 485.587 2.343 30 10 JEEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@H]1C(=O)N1CCC(CN(C)c2ncccc2C#N)CC1 1891921429 DPZPCTVYKVIYHX-FQEVSTJZSA-N 486.598 2.086 30 10 JEEE Cn1nc(CNC(=O)OC(C)(C)C)cc1C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2206610241 AMGLSFQCVARBKU-UHFFFAOYSA-N 457.340 2.391 30 10 JEEE CC[C@@H](C)[C@@H](C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)N(C)C(=O)OC(C)(C)C 2256599088 UKXGYEJJAMQLAI-OLZOCXBDSA-N 454.402 2.479 30 10 JEEE CN(C(=O)OC(C)(C)C)[C@]1(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)s2)CCOC1 2256619307 YIQBWRJDRDUHMV-HXUWFJFHSA-N 453.370 2.407 30 10 JEEE CN(CC1(O)CN(C(=O)OC(C)(C)C)C1)C(=O)c1csc(B2OC(C)(C)C(C)(C)O2)c1 2259112459 NVWDBJWNFVBZHQ-UHFFFAOYSA-N 452.382 2.101 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC1CCN(C(=O)C(F)(F)F)CC1 2267138964 ZHUNXVJFNJZGBN-UHFFFAOYSA-N 461.315 2.281 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H]1CNS(=O)(=O)Cc1ccccc1B1OC(C)(C)C(C)(C)O1 2267468183 TVMDCVWVASOITL-KRWDZBQOSA-N 466.409 2.415 30 10 JEEE CON(CCNC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(C)c1 2267704024 GXTGITVUCYYHBQ-UHFFFAOYSA-N 470.397 2.371 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2[C@H](C1)OC[C@@H]2C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2268654966 GJGRUEZRKZKZOA-RDBSUJKOSA-N 465.381 2.263 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)c(N2C[C@H]3OCCN(Cc4ccccc4)[C@@H]3C2)n1 2280576984 LPLYPHOLEIGFSJ-NHCUHLMSSA-N 451.376 2.479 30 10 JEEE Cc1nc(C(=O)Nc2n[nH]c(CN(C)C(=O)OC(C)(C)C)n2)c(B2OC(C)(C)C(C)(C)O2)s1 2282021754 PKPVHVQWBIGWIM-UHFFFAOYSA-N 478.384 2.488 30 10 JEEE C[C@H]1C[C@H](CNC(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)CN(C(=O)OC(C)(C)C)C1 2282039601 XRTSXOVFLUMEOQ-JKSUJKDBSA-N 462.400 2.342 30 10 JEEE Cn1nc(C(=O)Nc2nc(CCNC(=O)OC(C)(C)C)cs2)cc1B1OC(C)(C)C(C)(C)O1 2282611314 JRRUMSOETNRKHA-UHFFFAOYSA-N 477.396 2.495 30 10 JEEE CN(C[C@@H](O)COCc1ccccc1)S(=O)(=O)c1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2282829560 GRZNSUWOFTXISN-LJQANCHMSA-N 479.379 2.323 30 10 JEEE C[C@@H]1CN(Cc2ccccc2)CCCN1S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282854992 YEFZOTHPXVDVLN-GOSISDBHSA-N 474.436 2.004 30 10 JEEE C[C@@H]1C[C@H](NS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CCN1C(=O)OC(C)(C)C 2282864825 LIUFSGXKFDCZOP-NVXWUHKLSA-N 481.424 2.447 30 10 JEEE COC[C@H](ONC(=O)OC(C)(C)C)C(=O)N(C)[C@@H](C)c1nscc1B1OC(C)(C)C(C)(C)O1 2283966515 VQJMLSFLSXQLGD-ZFWWWQNUSA-N 485.412 2.433 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1CC[C@@H](C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)CO1 2284069151 MSZGBQSLRBDUDG-HUUCEWRRSA-N 481.424 2.378 30 10 JEEE C=CCn1cc(OCC(=O)N2CCOCC2)c(=O)cc1CN1CCN(CC=Cc2ccccc2)CC1 2329249765 KGTSTSOCUSYWTL-UHFFFAOYSA-N 492.620 2.103 30 10 JEEE CC(=O)NCc1nnc(SCC(N)=O)n1N=Cc1ccc(OCc2ccccc2C)cc1 2330743650 JBTXRSVAFHGSAT-UHFFFAOYSA-N 452.540 2.261 30 10 JEEE COc1cc(C=Nn2c(SCC(N)=O)nnc2-c2ccco2)cc(Br)c1O 2331193081 MBUPYIAIDPKIJI-UHFFFAOYSA-N 452.290 2.474 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H](CNC(=O)OC(C)(C)C)CC1(C)C 2362325425 FBTMLEYFQBURIP-HNNXBMFYSA-N 462.400 2.485 30 10 JEEE COc1[nH]c(=NC[C@@]2(O)CCCN(Cc3ccccc3)C2)ccc1B1OC(C)(C)C(C)(C)O1 2365344611 PYCCEBBKDXVQGK-VWLOTQADSA-N 453.392 2.250 30 10 JEEE COc1nc(N2C[C@H]3CC[C@H]2[C@H](NC(=O)C(F)(F)F)C3)ccc1B1OC(C)(C)C(C)(C)O1 2365346622 WTEJVKJGKNAMAF-CFVMTHIKSA-N 455.286 2.425 30 10 JEEE CS(=O)(=O)C1(C#C[C@@H](NN)c2cc(Br)ccc2I)CC1 2367842521 LASXWLMNSRDOHW-GFCCVEGCSA-N 469.142 2.139 30 10 JEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)[C@H]2CCCN(C(=O)c3ccc(F)cc3)C2)CC1 32492409 PDTUHSNPONYRTN-FQEVSTJZSA-N 484.553 2.083 30 10 JEEE COc1ccccc1CNc1nc2c(c(=O)[nH]1)[C@H](c1ccc3c(c1)OCCO3)[C@H](C#N)C(=O)N2 72472356 PPCCOEOMUJWIGS-HNAYVOBHSA-N 459.462 2.386 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCS2)c1 1286312420 XTHCFCQZTMBMKX-PKOBYXMFSA-N 473.624 2.132 30 10 JEEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1286316135 RYUXZRWOBOFVGW-OAQYLSRUSA-N 497.625 2.101 30 10 JEEE C#CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@H](NC(C)=O)C1 1286320520 CTCVSDFGVOBIHQ-SFHVURJKSA-N 457.604 2.147 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCCCN1CC)[C@H]1CCS(=O)(=O)C1 1286389113 FWHHTLNCOFQJFX-PMACEKPBSA-N 456.616 2.150 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1C(F)(F)F 1286430874 KDIOTRSLMWJLCI-IBGZPJMESA-N 495.527 2.141 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)c1ccc(F)cc1 1286431753 RDNYKIWLZDAAOA-RXVVDRJESA-N 473.574 2.017 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CC2([S@](C)=O)CC2)CC1 1286474293 GXPZNRNVUVDXCE-YTTGMZPUSA-N 457.600 2.019 30 10 JEEE C=CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H]1CCCCS1(=O)=O 1286722726 RCNZXHICSZQYGL-INIZCTEOSA-N 456.572 2.264 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](c2ccco2)C1 1286790985 LUWJOWKVKFVFFG-MSOLQXFVSA-N 486.573 2.476 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1286821237 FEMWTDYUDLQKNC-FQEVSTJZSA-N 477.606 2.350 30 10 JEEE C=CCSCCn1c(Cc2ccsc2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1286833642 JZNXHMQFRQUSAU-LJQANCHMSA-N 497.712 2.480 30 10 JEEE CC(=O)N1CCN(CCn2c(CC(C)(C)C)nnc2N2CCO[C@H](c3cccc(C#N)c3)C2)CC1 1286889398 FQYSNKDCRYTKEF-QHCPKHFHSA-N 479.629 2.480 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CC1(N(C)C)CCCCC1 1288839324 ADMOLMMUELWFMC-FXAWDEMLSA-N 451.641 2.283 30 10 JEEE C[C@@H]1CN(CCCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCO[C@H](C#N)C2)CCCO1 1291293978 CKNLTSFZJOPPKJ-XRXFAXGQSA-N 460.623 2.426 30 10 JEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(c2ccc(OC)cc2)CC1 1300381388 QKCMLFGZQSUGOS-SFHVURJKSA-N 460.604 2.027 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccn3C)n2C[C@](O)(c2ccccc2)C(F)(F)F)CC1 1300692697 LMCLSHDIQUTTFK-QFIPXVFZSA-N 458.488 2.489 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H]2CCCCN2CCCC)CC1 1300724948 DJTVXKQIOLZOPH-YADHBBJMSA-N 456.635 2.402 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](COC)C1 1300893396 YPNJOGRNOGXPKV-UWVAXJGDSA-N 461.588 2.102 30 10 JEEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCCN(c2nccc(OCC)n2)CC1 1301197580 MLVROECTZMRILM-UHFFFAOYSA-N 454.579 2.386 30 10 JEEE C=CCCOCCn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1301241155 OFNRMPRKFWULSG-QFIPXVFZSA-N 468.602 2.289 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2oc3ccccc3c2OC)C1 1301540147 ZOORIIBHFWQMDB-JKSUJKDBSA-N 475.571 2.473 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCN2CCCCC2)C1 1301542371 ASGASAZJWTVLFP-OAQYLSRUSA-N 488.658 2.463 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CC=C(COC)CC1 1301588501 FZTOAXFVNJHBKE-HXUWFJFHSA-N 460.556 2.174 30 10 JEEE C=CCn1cc(CNC(=O)NCC(C)(C)S(=O)(=O)c2ccc(Br)cc2)nn1 1311986748 NBRXJIQOGLLQAY-UHFFFAOYSA-N 456.366 2.278 30 10 JEEE CSc1ccc(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@@H](C)C#N)cc1 1316418811 CUAJYRGEIIVMLV-LPHOPBHVSA-N 478.644 2.171 30 10 JEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)[C@H]2CCO[C@H]2CNC(=O)OC(C)(C)C)cc1 1355508328 MNZAVLLYXDZGJQ-ROUUACIJSA-N 453.561 2.361 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2C[C@@H]2CCCS(=O)(=O)C2)c1 1358903494 YTJSQJVAXQLHJK-FQEVSTJZSA-N 492.605 2.145 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1ccc(OC)cc1)C1CC1 1358930582 YFEQKKAIXNCBEB-OAQYLSRUSA-N 473.599 2.202 30 10 JEEE C#CCCCn1c(N2CCN([C@H](C)c3nc(CC)no3)CC2)nnc1[C@]1(OCC)CCOC1 1358936470 OJWIHECZZHVBIH-JPYJTQIMSA-N 457.579 2.172 30 10 JEEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC1(S(C)(=O)=O)CCCC1 1358941525 NLCAYARTNSABKI-UHFFFAOYSA-N 462.572 2.398 30 10 JEEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CCc1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 1358957518 VPESFMJOCUNRLQ-AUSIDOKSSA-N 493.029 2.453 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCn2ccnc2C1 1358979182 FPRSWWOXMXANEI-UXHICEINSA-N 479.585 2.118 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN(C(C)=O)C1 1359016799 MIADBZOKXSFIHP-SFTDATJTSA-N 487.601 2.218 30 10 JEEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2CC2(S(C)(=O)=O)CCC2)CC1 1359038705 GWYOBRHTKGSKTK-UHFFFAOYSA-N 471.627 2.196 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@]2(O)CCSC2)CC1 1359047957 ZNHNBVOOKPEQIQ-KHCICDEESA-N 475.659 2.031 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N(C)C[C@H](C)C(=O)NC 1359102680 DSXWIEIHIVRXFE-FCEWJHQRSA-N 460.604 2.069 30 10 JEEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C1CCC(NC(C)=O)CC1 1359183480 LZQUOWSFADVNNE-ZLPCBKJTSA-N 454.641 2.374 30 10 JEEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)CCOC(C)(C)C 1359293781 ZLFQYFHFDWGYGW-UHFFFAOYSA-N 477.635 2.100 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CC1CCN(CC(F)(F)F)CC1 1360677666 FREVRAGFEOJRMZ-HNNXBMFYSA-N 491.584 2.293 30 10 JEEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N2C[C@@H](O)[C@H](CO)C2)ccc1Cl 1468867206 LNYYFAYNBPDBPM-QFBILLFUSA-N 450.944 2.147 30 10 JEEE CCN(CC)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)COC)CC1 1501780205 GUJUZJGZWHNTGU-IBGZPJMESA-N 453.591 2.090 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1[C@H]1C[C@H](c2ccccc2F)C1 1507537453 IIRBEQNONXZARB-WOCWXWTJSA-N 461.563 2.327 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN(C(=O)OC(C)(C)C)C1CC1 1507539303 UKNARSHDRDVWRV-JKSUJKDBSA-N 451.593 2.038 30 10 JEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCc1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 1507622061 AVPVTUWQRLMFQN-GOSISDBHSA-N 476.002 2.037 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ccc(OC(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 1507631945 VRBABWGTCPKBGO-LJQANCHMSA-N 466.567 2.197 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@H]1CCOc2ccccc21 1507711851 ZZDHTCSRBXBAJZ-OALUTQOASA-N 458.584 2.223 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C)cc2SC)CC1 1507731306 FMKMCOXQQODSOH-IBGZPJMESA-N 459.641 2.014 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CCCNc2ccc(C(F)(F)F)cn2)CC1 1507732777 XQYZTPZXBQEKEY-QGZVFWFLSA-N 463.508 2.453 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@@](C)(O)c2cc(C)oc2C)CC1 1507736721 QOHDOAJHVYQRLA-RUZDIDTESA-N 464.570 2.367 30 10 JEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)c2ccccc2C)CC1 1507753653 HSRXDUDZZJBADT-FQEVSTJZSA-N 466.611 2.303 30 10 JEEE C=C(Br)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1507778725 GJLYLFFAWSAAFU-CJNGLKHVSA-N 468.327 2.417 30 10 JEEE C=C(Cl)Cn1c([C@H]2CCCO2)nnc1N1C[C@@H]2[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1507875092 ZMSUSAADYCGMGR-QKPAOTATSA-N 488.010 2.009 30 10 JEEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCOC2=O)cc1)C1CC1 1507987618 IAMXWNQXSICPGR-OAHLLOKOSA-N 460.560 2.048 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N(C)CC1COC(C)(C)OC1 1508071438 CCUGJLFUIKDKOY-UHFFFAOYSA-N 481.395 2.184 30 10 JEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCN(c2nc(C)cs2)CC1 1508086078 XNOADPKYZBUMCQ-UHFFFAOYSA-N 458.617 2.028 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Br)cc2)nnc1N(C)CCN1CCOCC1 1508133906 OICJKCHRFGJFTH-UHFFFAOYSA-N 498.447 2.077 30 10 JEEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1539097480 OGXUTRCHRPULDC-MRXNPFEDSA-N 476.423 2.486 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@]1(O)CCSC1)[C@H]1CCS(=O)(=O)C1 1539205018 FATHQENKNAYGKH-HOIFWPIMSA-N 494.614 2.052 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CCc1ccc(C)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1539225289 MNJOILHOKDNASC-QFIPXVFZSA-N 479.606 2.450 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@H]1CCOC[C@@H]1OC 1539301560 QIAUGASNXPCWHY-GCJKJVERSA-N 468.554 2.485 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccccc1)N1CCCC1 1539417016 WXENMOICBGPWOL-FCHUYYIVSA-N 471.627 2.103 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3CC)n2C[C@@H](C)N2CCOCC2)CC1 1539488511 LDZGBJONSBTEME-OAQYLSRUSA-N 494.640 2.106 30 10 JEEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 1539981854 JPAQDUSRFYLILB-ZWKOTPCHSA-N 466.652 2.329 30 10 JEEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(=O)c2ccccc2F)CC1 1539983111 VLMFNLNXOOGJCH-QGZVFWFLSA-N 478.594 2.346 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCCCO2)n1C[C@]1(O)CCS(=O)(=O)C1 1540120180 PJODACBSWIBAGV-NFBKMPQASA-N 476.599 2.271 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1540867338 SBYXPTNAWQAGPR-FQEVSTJZSA-N 459.558 2.244 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(F)(F)C1 1540898702 RRECZLFUFPGTGX-UHFFFAOYSA-N 450.309 2.482 30 10 JEEE COCCNC(=O)[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CCN1C(=O)c1ccoc1 1548371020 AFFPBCSMFACSGC-SFHVURJKSA-N 450.417 2.264 30 10 JEEE CNC(=O)c1cc(O[C@H]2CCCN(C(=O)[C@@H]3CCN(c4ccc(C#N)cc4F)C3)C2)ccn1 1556861620 DFPHKWSGCQDXRT-MJGOQNOKSA-N 451.502 2.348 30 10 JEEE COc1cccc(-c2noc([C@H](C)NC(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)n2)c1 1587255658 DQHGWTJSPBSXAM-ZDUSSCGKSA-N 455.496 2.051 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCc1cccc(C)n1)[C@@H]1CCS(=O)(=O)C1 1588054212 LLRADOFKASVBOT-TZIWHRDSSA-N 457.600 2.135 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)CC(=O)N1CCOCC1 1589505342 LUEYYICFAWBFAH-WIYYLYMNSA-N 470.530 2.130 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)CCC(=O)NC 1589529880 PTPDNUPOSZEDRV-PZJWPPBQSA-N 468.606 2.006 30 10 JEEE C=CC[C@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](C(=O)NC)C1)c1ccccc1 1594552090 GYTGQWBFFJCBEO-MLNNCEHLSA-N 469.586 2.313 30 10 JEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2c(F)cc(F)cc2C1 1594732252 AQTUKMDBOBDRHX-IBGZPJMESA-N 467.542 2.418 30 10 JEEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1C[C@H](C)CC[C@@H]1C 1595490634 VIZIRADWWNGCKS-CVEARBPZSA-N 459.620 2.474 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N(C)[C@H]1CCCc2c1cnn2C 1595789506 VFECFHSWFSFNRJ-IBGZPJMESA-N 455.588 2.497 30 10 JEEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccccc2CC1 1595884872 VYKWGKSARNHYBZ-FQEVSTJZSA-N 477.656 2.135 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)c1 1615200880 PHULNIGTHJWVKC-KRWDZBQOSA-N 456.568 2.252 30 10 JEEE CC(C)N(Cc1nc(O)c2ccccc2n1)C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 1630912472 HMOVQXVUOKFAFH-OAHLLOKOSA-N 453.524 2.311 30 10 JEEE C#Cc1ccc(C(=O)N2CCCN(S(=O)(=O)c3ccc(Br)s3)CC2)cn1 1631166271 JDKIOZZHNMZFHA-UHFFFAOYSA-N 454.371 2.424 30 10 JEEE COCCN(CCC#N)S(=O)(=O)NC[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C 1665286722 GZLCQDPWUUXWMR-IBGZPJMESA-N 452.577 2.045 30 10 JEEE C#CCN(c1nnc(-c2cc3c(s2)CCCCC3)n1CC(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 1689982619 QTDRCLCHNAWWTF-GOSISDBHSA-N 489.667 2.427 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1689986896 ZGAUSBIUZPISNA-MSOLQXFVSA-N 488.614 2.222 30 10 JEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CCNC(=O)c1ccc(C)cc1 1690025350 NPZHYLOKEHOJQR-UHFFFAOYSA-N 460.563 2.081 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(-n3ccnc3C)nc2)CC1 1690136924 LFYFKLCOFPHJAF-UHFFFAOYSA-N 460.586 2.479 30 10 JEEE C[C@H]1CCCN(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2cccc(C#N)c2)C1 1693682208 FQNMFCDAUGXOJJ-GHTZIAJQSA-N 456.616 2.420 30 10 JEEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1705525673 QTLGFCDXZOSWRD-GOSISDBHSA-N 452.378 2.464 30 10 JEEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CC1(N2CCC(OC)CC2)CCCC1 1705540816 OEZSXEJBKDCBRJ-UHFFFAOYSA-N 451.575 2.418 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H](CC)Oc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1705558535 AJLWRSLJVJVFQP-RBUKOAKNSA-N 491.589 2.040 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1CC(C)(C)OC)[C@@H]1CCS(=O)(=O)C1 1705562708 ICKALVLZHMOPFA-MRXNPFEDSA-N 462.572 2.014 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CCCNC(=O)C(C)C)CC1 1705649843 HRBUGIWYRQACDN-UHFFFAOYSA-N 468.577 2.136 30 10 JEEE C#CCSCCn1c(Cc2ccsc2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1705662821 MDGVKCUEFPDOIR-OAQYLSRUSA-N 458.613 2.111 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1705699617 JHEGHPRPCRACHT-GGPKGHCWSA-N 460.604 2.148 30 10 JEEE C=C(C)COCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1705735590 BGVLWVKTKLPTAX-IRXDYDNUSA-N 488.614 2.043 30 10 JEEE C=CCN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1705846649 NMQJBXQWOYYSQR-SJORKVTESA-N 478.644 2.096 30 10 JEEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@H](C)CC1 1705895490 IJDJPEKBNWCRKY-INIZCTEOSA-N 459.620 2.475 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1705908678 SYLUNHBTJQRPLA-YGKZAACZSA-N 459.522 2.071 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1706069577 FTVRZWMZYGWSJD-LSDHHAIUSA-N 450.469 2.405 30 10 JEEE COc1ccc(CCc2nnc(N3CCC(CC#N)CC3)n2CC(=O)N2CCOCC2)cc1 1711798971 HSHKDDNDCLPGHK-UHFFFAOYSA-N 452.559 2.061 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@H]1CCCN1CCCO 1722296050 ZPFZSIKFNKQUDR-UXHICEINSA-N 477.613 2.370 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1C[C@H]1CC(=O)N(c2ccccc2)C1)[C@@H]1CCS(=O)(=O)C1 1722365391 NMXIOBPJMBINDR-SVFBPWRDSA-N 469.611 2.471 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CC(=O)NC1CCCCC1)[C@H]1CCS(=O)(=O)C1 1722366904 SZLYVMSGEKCKLE-NRFANRHFSA-N 487.601 2.084 30 10 JEEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H](c1ccccc1)N1CCOCC1 1722391828 VUMKWHATCCSQLV-IGKIAQTJSA-N 477.609 2.467 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC2CCN(C(=O)OC)CC2)CC1 1722433054 JXFLHIFHCUWKHG-UHFFFAOYSA-N 490.406 2.269 30 10 JEEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1722453841 DRKDTZBWYTUMOR-AVRDEDQJSA-N 497.625 2.209 30 10 JEEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1cccs1)C1CC1 1722461403 OFWFJDJLFSXPLS-GOSISDBHSA-N 481.669 2.208 30 10 JEEE C#CCSCCn1c(N2CCC[C@@H](NC(=O)C(C)C)C2)nnc1[C@]1(OC(C)C)CCOC1 1722463421 BPIZAVHBRHKAPN-XXBNENTESA-N 463.648 2.426 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCc2oncc2C1 1722724734 DOOIOYKEMDLYPB-UHFFFAOYSA-N 490.973 2.013 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1722731899 SBRUFQQRFDDQSU-MBSDFSHPSA-N 494.589 2.371 30 10 JEEE CC(C)(Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CCC(N)=O)CC1)N1CCOCC1 1723032038 CWBYEZRXGBBLNR-UHFFFAOYSA-N 495.628 2.321 30 10 JEEE CN(C)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)(=O)CC1)c1cccs1 1729316112 HXRJUYZTQYXZFW-SFHVURJKSA-N 456.597 2.416 30 10 JEEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)N2C[C@H](C)O[C@H](C)C2)CCO1 1730609039 GBPBDDAZNKNAPC-MZKRTTBSSA-N 498.628 2.468 30 10 JEEE C#CCN(c1nnc(COCC)n1CC1=CCN(C(=O)OC(C)(C)C)CC1)[C@H]1CCS(=O)(=O)C1 1740628791 UMOPDZDZWYIUQU-IBGZPJMESA-N 493.630 2.009 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C(=O)N(C)c2ccccc2)C1 1740717469 SWRQECQPCGWPFJ-MOPGFXCFSA-N 487.651 2.036 30 10 JEEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1740793916 NETFANZJVCQCBI-QGZVFWFLSA-N 452.481 2.361 30 10 JEEE C=CCCOCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC[C@H](NC(C)=O)C1 1740884512 CVLJBQXFZPVKFE-IBGZPJMESA-N 479.585 2.373 30 10 JEEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 1740943774 JSDREJFBXCBECJ-GOSISDBHSA-N 475.615 2.403 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1740969108 KHHWSSADKOFIHW-WOJBJXKFSA-N 487.626 2.288 30 10 JEEE CCCNC(=O)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC(CC#N)CC1 1745799594 BIQNXZAOPWFONX-UHFFFAOYSA-N 478.645 2.299 30 10 JEEE CCN1CCN(CCCn2c(-c3ccc(Cl)cc3F)nnc2N2CCO[C@@H](C#N)C2)CC1 1746467229 CIPBFVKORWXPRT-SFHVURJKSA-N 461.973 2.494 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CCCOC(C)C)c1 1748690163 NLKBXEKRXBVELW-UHFFFAOYSA-N 452.559 2.385 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2CCc2cccnc2)c1 1748694483 HNKMRTQFTQHBIU-UHFFFAOYSA-N 457.538 2.094 30 10 JEEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1748697449 IQTNXFUKJKEWEV-IRLDBZIGSA-N 492.628 2.108 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1CCN1CCc2ccccc2C1)[C@H]1CCS(=O)(=O)C1 1748817699 OQGPMBURMSOKAC-QFIPXVFZSA-N 455.628 2.162 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1CCCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1748820045 YDBCDFQNYUYLSP-QFIPXVFZSA-N 466.611 2.399 30 10 JEEE C#CCN(c1nnc(CCCc2ccccc2)n1CCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1748821020 LJHHTLMQYVQDOQ-JOCHJYFZSA-N 466.611 2.285 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCNC(=O)C1CCC1 1748930146 ZNXFPSVYTLQWKO-IBGZPJMESA-N 474.606 2.352 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1748978945 URFKOLHIEBOMMJ-ZWKOTPCHSA-N 478.018 2.261 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C)COCc2ccccc2)CC1 1749008907 CSSNMXNSHRZUNV-KNQAVFIVSA-N 478.597 2.048 30 10 JEEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1749044609 SOEVNXVOGYBGDR-UHFFFAOYSA-N 468.631 2.433 30 10 JEEE C=C(C)Cn1c(-c2ccccn2)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1749186324 GVRCUGOMWFOKDI-NXHRZFHOSA-N 474.587 2.043 30 10 JEEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(CC(=O)NC)CC1 1749215563 BAXGMZJFBCAIRC-UHFFFAOYSA-N 475.615 2.294 30 10 JEEE C=CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1CC(=O)NCC(F)(F)F 1749592344 IKCBYBYGDCZTTI-UHFFFAOYSA-N 465.274 2.353 30 10 JEEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1749609612 WQFAGSHSMULSFF-LJQANCHMSA-N 482.614 2.277 30 10 JEEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](CC2CC2)C1 1749630040 NATHSGUKBCQIJX-RCCFBDPRSA-N 465.620 2.496 30 10 JEEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1749665735 BBWVZAPGPPHAKW-ZIAGYGMSSA-N 485.536 2.175 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCN(C(=O)OCC(C)C)CC1 1749676697 ZXFKDNZTAVVJQA-UHFFFAOYSA-N 470.574 2.094 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC(N2CCCC2=O)CC1 1749680702 OIRPSTRXVIWGML-UHFFFAOYSA-N 466.586 2.367 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(OC)c(OCC)c2)C1 1749712775 LKPJZPXAXKQBDB-RTBURBONSA-N 476.599 2.417 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 1749732091 PIIZKYPDZYWSLM-OAQYLSRUSA-N 459.616 2.002 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2cccc(Cl)c2)C1 1749732417 WJDKRAFZQWHTGM-ROUUACIJSA-N 479.990 2.061 30 10 JEEE C#CCN(C)c1nnc(COc2ccc(C#N)cc2)n1CCCN1CCN(c2ccncc2)CC1 1760178616 UWEOXXUPNKDYLN-UHFFFAOYSA-N 470.581 2.405 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCN(CC)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1760188889 QTPPLWLAFANQKQ-RTBURBONSA-N 495.646 2.056 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)c1ccc(OC)cc1 1760209719 HKEYJORVTLLRGU-SFHVURJKSA-N 457.600 2.338 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccccc2COCC)CC1 1760256227 GKALUZBSELRZIW-RUZDIDTESA-N 453.587 2.270 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCc2cccc(C)n2)CC1 1760260961 FINRQHLREMDISX-JOCHJYFZSA-N 495.628 2.288 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Cl)n2CCS(=O)(=O)CC=C)CC1 1760268132 MQNRICWBXXDJNF-UHFFFAOYSA-N 476.002 2.165 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCOCC)CC1 1760273197 LAWMYGLEISPPBJ-IBGZPJMESA-N 474.606 2.352 30 10 JEEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1760284726 QQDSVKKVVDRJBD-LJQANCHMSA-N 489.646 2.236 30 10 JEEE C=CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1760458430 GIQRRJWLELHOKB-HDICACEKSA-N 451.579 2.431 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1760520419 MPFXGYJBUSBQKH-MRXNPFEDSA-N 482.976 2.298 30 10 JEEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)Cc1cccc(OC)c1 1760523449 YKQMNUSTQVQJRX-UHFFFAOYSA-N 483.598 2.185 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1760556839 RKCSBTYIZPHHPF-RBUKOAKNSA-N 461.632 2.397 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 1760556968 VKWVIFVVIVBEOB-KRWDZBQOSA-N 453.609 2.325 30 10 JEEE C[C@@H]1CCCN1CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1762937228 GBAWKGOHYIZRSI-UYAOXDASSA-N 471.631 2.067 30 10 JEEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCS(C)(=O)=O)C[C@@H](C(F)(F)F)O1 1763178012 GLGKCPMKANSUEO-YOEHRIQHSA-N 487.504 2.319 30 10 JEEE COC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(C(=O)C(C)C)CC1)OC 1769257354 FBAGMCFVXGFEHP-NRFANRHFSA-N 470.574 2.085 30 10 JEEE CSc1cccc(F)c1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@](F)(C#N)C1 1771425750 DHXAIMXTYIZYFF-SGTLLEGYSA-N 456.544 2.240 30 10 JEEE C=CCO[C@H]1CCN(C(=O)NC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2)C(F)(F)F)C1 1772658361 BEOCARZWZWHSFV-JKSUJKDBSA-N 450.502 2.457 30 10 JEEE N#Cc1cccc(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)NCCCCN3CCCC3)cc2)c1 1858977686 QLMPUMJJTSIQJQ-UHFFFAOYSA-N 497.621 2.395 30 10 JEEE C=CCn1cc(OCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])c(=O)cc1CN1CCC(N(C)C)CC1 1870696852 RBIGWSKYIOGHHA-UHFFFAOYSA-N 499.568 2.495 30 10 JEEE COC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1cccc(OC)c1OC 1874336687 GZZQLCYUFCSIJL-GTQIFZCBSA-N 461.544 2.167 30 10 JEEE CN(CC#CCNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1)Cc1ccccc1 1891960595 LICUVYRLXNGRSV-QHCPKHFHSA-N 484.578 2.390 30 10 JEEE C=CCC1(NC(=O)[C@@H]2[C@@H](O)[C@H](O)CCN2C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)CC1 2200963987 NSMIYLBWDUAZCS-SQNIBIBYSA-N 483.606 2.180 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2247881334 WEYBZMQZBGAUNF-AWEZNQCLSA-N 458.411 2.335 30 10 JEEE CN(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)[C@@H]1CC[C@H]1NC(=O)OCc1ccccc1 2255653044 CYRCESBRPUWBJR-RTBURBONSA-N 468.363 2.249 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@]2(C)CCN(C(=O)OCc3ccccc3)C2)n1 2255819524 BTUPCJFWXFRDAH-DEOSSOPVSA-N 468.363 2.250 30 10 JEEE C[C@@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)O)c1cscc1B1OC(C)(C)C(C)(C)O1 2256617113 GXGBSNAPVAJMKK-XJKCOSOUSA-N 454.398 2.499 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccsc2B2OC(C)(C)C(C)(C)O2)[C@](C)(CO)C1 2267170180 RXHKOOBNBVWRIW-QFIPXVFZSA-N 466.409 2.491 30 10 JEEE CO[C@H]1C[C@@H](CNC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)N(C(=O)OC(C)(C)C)C1 2267489419 VWIPJRWSAZYAQC-KBPBESRZSA-N 467.397 2.197 30 10 JEEE Cn1nc(C(=O)N[C@]23C[C@@H]2CN(Cc2ccccc2)C3)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2267502995 WJYMTLMYDQIADB-MWTRTKDXSA-N 456.783 2.377 30 10 JEEE Cn1cc(C(=O)NC[C@@H]2C[C@@H]3[C@@H]2CCN3C(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2282041595 YXDAGUDYQNQWGW-ZMSDIMECSA-N 460.384 2.095 30 10 JEEE CC[C@]1(NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CCCN(C(=O)OC(C)(C)C)C1 2282091789 ISRZTQVTKBWENE-QFIPXVFZSA-N 463.388 2.024 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@H](NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)[C@H]2C1 2282579915 LUFNLXSGAQRACH-JYJNAYRXSA-N 460.384 2.474 30 10 JEEE C[C@@H]1CN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C[C@@H](C)C1NC(=O)OC(C)(C)C 2282625751 ZHMYSPYFCYWJLX-HUUCEWRRSA-N 460.384 2.397 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2OCCN(C(=O)c3ccccc3B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2282648622 QGZWPTAZQRXVPW-RTBURBONSA-N 458.364 2.446 30 10 JEEE C[C@H]1CN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C[C@@H](C)N(C(=O)OC(C)(C)C)C1 2282676285 JLOZVZVQYNQUNM-JKSUJKDBSA-N 460.384 2.493 30 10 JEEE CON(C1CN(C(=O)OC(C)(C)C)C1)S(=O)(=O)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2282840907 QKHDUBMYOPPIKK-UHFFFAOYSA-N 482.408 2.298 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(O)cc2O)[C@@H]2C[C@H]21 2282983130 JLGKWYQZTDDZMA-HZPDHXFCSA-N 460.336 2.231 30 10 JEEE CC(C)(C)OC(=O)NC1CN(CC(=O)N2CCc3ccc(B4OC(C)(C)C(C)(C)O4)cc32)C1 2283985674 MFTPMAVIRVFHSV-UHFFFAOYSA-N 457.380 2.084 30 10 JEEE CCn1c(N2C[C@@H](C)O[C@H](C)C2)c(C=C2SC(=S)N(CCC(=O)O)C2=O)c(C)c(C#N)c1=O 2314461309 JGIZHDCEFBFVSZ-CHWSQXEVSA-N 490.607 2.338 30 10 JEEE CCN(Cc1ccccc1)c1ccc(C=Nn2c(CNC(C)=O)nnc2SCC(N)=O)cc1 2330743757 LCYDQRFBTDMMAU-UHFFFAOYSA-N 465.583 2.400 30 10 JEEE CCO[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1N=c1ccc(B2OC(C)(C)C(C)(C)O2)c(OC)[nH]1 2365348229 NVOFITFGMMEKCY-NUJGCVRESA-N 463.384 2.294 30 10 JEEE Cc1c(C(=O)N(C)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2F)nn(C)c1B1OC(C)(C)C(C)(C)O1 2369671018 XOBLIDGNEKNGMW-HUUCEWRRSA-N 466.363 2.057 30 10 JEEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(S(=O)(=O)N[C@@H](C)CC)cc2)cc1 47157303 VBNGGELETSBIAV-HNNXBMFYSA-N 451.570 2.480 30 10 JEEE COc1ccc(OC)c(/C=N/Nc2nc(SCC(=O)NCc3ccc4c(c3)OCO4)n[nH]2)c1 59310572 IXLPSNFMDWZJLI-AUEPDCJTSA-N 470.511 2.405 30 10 JEEE C=CCNC(=O)c1cn(CCC)nc1S(=O)(=O)N1CCN(c2cccc(Cl)c2)CC1 65152155 IKWXWTVXXBAKPA-UHFFFAOYSA-N 451.980 2.373 30 10 JEEE COc1ccc(OC)c([C@H]2/C(=C(/O)c3ccccc3)C(=O)C(=O)N2CCN2CCOCC2)c1 102502754 IMFSDPSZAMTBOK-VFJWVMJUSA-N 452.507 2.458 30 10 JEEE Cc1cccc(OC[C@H](O)Cn2c(N/N=C/c3ccccc3Cl)nc3c2c(=O)n(C)c(=O)n3C)c1 107290919 PAEVUVGRKKXLPC-BXNHQAKUSA-N 496.955 2.281 30 10 JEEE C=CCOC(=O)C1=C(C)N=c2sc(=C3C(=O)N(C)c4ccccc43)c(=O)n2[C@H]1c1ccccc1 254837907 AYGZBNNKODXJAA-NRFANRHFSA-N 471.538 2.311 30 10 JEEE COc1ccc(CNC(=O)CSc2nnc(NN=Cc3ccc(C)cc3)n2N)cc1OC 1084357573 JWQIMNPADOLIEM-UHFFFAOYSA-N 455.544 2.172 30 10 JEEE CCOc1cc(C=NNc2nnc(SCC(=O)Nc3cc(OC)ccc3OC)n2N)ccc1O 1084652426 PJYPFVLFKXXISM-UHFFFAOYSA-N 487.542 2.290 30 10 JEEE N#Cc1ccc(N2CC[C@@H](C(=O)Nc3cccc(S(=O)(=O)N4CCOCC4)c3)C2)c(F)c1 1124419577 CZPQWWNSWKZGCU-QGZVFWFLSA-N 458.515 2.183 30 10 JEEE C#CCN(C(=O)c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O)[C@H]1CCS(=O)(=O)C1 1125953218 CFZKVYVPYRXCFM-HNNXBMFYSA-N 456.907 2.403 30 10 JEEE C#CC[C@H]1CCCN(C(=O)CCC(=O)N(CC(C)C)c2c(O)nc(=O)n(CCCC)c2N)C1 1130302697 HDNSRSCWDKPBGY-SFHVURJKSA-N 459.591 2.362 30 10 JEEE C=CCN(c1ccccc1OC)S(=O)(=O)c1ccc(Cl)c(C(=O)NCCC(N)=O)c1 1136873901 ASVREPBEWLYRDJ-UHFFFAOYSA-N 451.932 2.335 30 10 JEEE COc1ccc(C(=O)Nc2cc(C#N)ccc2NC2CC2)cc1S(=O)(=O)N1CCOCC1 1138965891 CHXHVAWDRFOVKS-UHFFFAOYSA-N 456.524 2.414 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC2CC(OCC)C2)c1 1286310871 GWWLLAWIRYVDQE-FUHYEJFZSA-N 499.637 2.442 30 10 JEEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1286339845 ZTBABXFPSVQROI-SFHVURJKSA-N 463.991 2.288 30 10 JEEE C#CCN(C)c1nnc(-c2ccc(F)cc2Br)n1C[C@H]1CCCN1S(C)(=O)=O 1286368014 OTOGJXKKMKWLGH-CQSZACIVSA-N 470.368 2.340 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCC1(OC)CCC1)[C@@H]1CCS(=O)(=O)C1 1286382394 JAIDLUDGUWTMOH-LJQANCHMSA-N 473.555 2.439 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@H](C(C)C)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1286386871 ITKLZOZDURBGPT-TZIWHRDSSA-N 458.632 2.031 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CC[C@@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1286388045 LATHDYXMTZXOLV-SFTDATJTSA-N 453.568 2.403 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC[C@H]1CCO[C@@H](C)C1 1286401964 UHWMJAZVQHGLMV-PMACEKPBSA-N 469.611 2.473 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H](C)N(C)C2CC2)CC1 1286470282 WJRZPCSBXATEIB-SFHVURJKSA-N 470.021 2.099 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2Cc2cccc(NC(C)=O)c2)CC1 1286490998 ADPDFCZMBKVYAT-UHFFFAOYSA-N 471.565 2.236 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@]1(N(C)C)CCC[C@@H](C)C1 1286517787 VZNVWMHOFHZCOE-GMQQQROESA-N 450.653 2.391 30 10 JEEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 1286543247 HRDQDISOWNTLRM-IBGZPJMESA-N 489.418 2.165 30 10 JEEE C=C1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1286646482 RTRHNJFRFINKSF-FDDCHVKYSA-N 495.646 2.099 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1286780215 RGRORWWDQDHWQQ-AWEZNQCLSA-N 470.883 2.406 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC[C@H](C(=O)NC)C1 1286783614 WTVHKZIPQIZPEQ-INIZCTEOSA-N 475.391 2.281 30 10 JEEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC([C@H]2CC2(F)F)CC1 1286789838 IDUAHVCELXSIMN-OAHLLOKOSA-N 464.542 2.443 30 10 JEEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N(C)[C@@H](C)c1cccc(O)c1 1286791080 SSTGJBSLHBPYMK-HNNXBMFYSA-N 454.556 2.475 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1286824257 XULHYQAQJGJOQS-APWZRJJASA-N 452.552 2.458 30 10 JEEE CC(C)C[C@@H](Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@H](C#N)C1)N(C)C 1287329071 AQLHNRHTYZMHHJ-LEWJYISDSA-N 467.622 2.157 30 10 JEEE CCS(=O)(=O)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@](C)(C#N)C1 1297689566 BSJHTYGIJFLIEN-OAQYLSRUSA-N 479.006 2.426 30 10 JEEE C#CCN(c1nnc([C@@H](C)OCCOC)n1Cc1ccc2ncccc2c1)[C@H]1CCS(=O)(=O)C1 1300484995 SUHFYYNIVPRMKK-NQIIRXRSSA-N 483.594 2.225 30 10 JEEE C#CCN(c1nnc(CC2CCCC2)n1CCCN1CCCCC1=O)[C@@H]1CCS(=O)(=O)C1 1300500837 DXNQNDHGQMLMKW-HXUWFJFHSA-N 461.632 2.040 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1OC(F)(F)F 1300557826 YPIJSVDDXPAQKW-HNNXBMFYSA-N 469.489 2.298 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(CN2CCCCC2)cc1 1300671182 DOGIATFFZRDRSQ-HSZRJFAPSA-N 485.654 2.300 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCn2ccnc2C1 1300671612 LTDOBKHHXFDDFQ-WOJBJXKFSA-N 499.616 2.132 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCCc2cccc(C)n2)CC1 1300685036 DTBHCDBFRCDTGD-RUZDIDTESA-N 452.603 2.410 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCCC1(F)F 1300805847 JOVSRHYYZHZQCJ-ABSDTBQOSA-N 471.574 2.429 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2nc3c(s2)CCCC3)C1 1301537835 DOUJJTQXUXFRSD-CVEARBPZSA-N 480.660 2.248 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1301577471 OSEHALRFXKOSHY-JOCHJYFZSA-N 459.572 2.139 30 10 JEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CC[C@@H](c2ccccc2)[C@H]1C 1301587216 RYVVQYDGNKGVLS-UYAOXDASSA-N 457.600 2.384 30 10 JEEE CC(=O)N1CCCN([C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCCCCO)C[C@H]2C)CC1 1301710593 ZKGHBDFBTAKRMT-YKSBVNFPSA-N 479.629 2.358 30 10 JEEE CCc1nc(C)c(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)o1 1306014023 GMEAERBXBZLRHY-QGZVFWFLSA-N 470.555 2.259 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2CC[C@H]2COCCO2)c1 1358901800 XEYSMAOICGJAIK-NVQXNPDNSA-N 497.596 2.180 30 10 JEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1358934346 YIOVAVAJBFTZRB-GOSISDBHSA-N 453.572 2.093 30 10 JEEE C#CCN(c1nnc([C@@H](CC)c2ccccc2)n1CCCC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1358956139 AWXXCMTYAKLDKH-SFTDATJTSA-N 471.627 2.315 30 10 JEEE C#CCN(c1nnc(-c2ccc(Br)s2)n1C[C@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1358958910 YHDQYHYSAXLCEA-QWHCGFSZSA-N 473.418 2.431 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[S@@](=O)C(C)(C)C)CC1 1359041757 HSLYFVIZOFNTHH-MGBGTMOVSA-N 466.611 2.330 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H](C)COC)CC1 1359042278 YZDZHLCQNKSKHV-OAHLLOKOSA-N 477.407 2.294 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1359048634 XCUVTYDYQPIGLP-UHFFFAOYSA-N 493.593 2.464 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N(Cc1ccnn1C)C1CC1 1359292910 AUWGQQCADPOTMI-UHFFFAOYSA-N 473.379 2.251 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 1359302653 PBDOXMFWJUFJHK-KRWDZBQOSA-N 494.987 2.470 30 10 JEEE CC(=O)N1CCN([C@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CC(C)(C)CN(C)C)C[C@H]2C)CC1 1359399490 RCHLSLUEHAWVLR-YKSBVNFPSA-N 492.672 2.393 30 10 JEEE C[C@H](CC(=O)NCC(=O)Nc1cccc2ccccc12)/N=C1/NS(=O)(=O)c2ccccc21 1442874142 FWBGRNNYJCRHFJ-OAHLLOKOSA-N 450.520 2.412 30 10 JEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCCCOCC(F)(F)F)nnc12 1457554937 LNTHOXXNAPCZDZ-UHFFFAOYSA-N 455.462 2.408 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)s1 1464310803 YRIHUCJMRNXQBK-UHFFFAOYSA-N 453.561 2.047 30 10 JEEE C=CCN(C(=O)c1cnn([C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1)[C@@H]1CCS(=O)(=O)C1 1464402669 UKKXBZVLHQQTDH-ZWKOTPCHSA-N 452.577 2.270 30 10 JEEE CCc1nnc(N2CCN(c3c(C#N)cnc4ccccc34)CC2)n1CC(=O)NCC(F)(F)F 1499151594 BBVGAZQDOIEJSP-UHFFFAOYSA-N 472.475 2.265 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OCC)CCOC3)n2C[C@@H]2CCOC[C@H]2OC)c1 1507549491 GTLBRVPQYBHBJF-HXAGEGRHSA-N 497.596 2.038 30 10 JEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1Cc1cccnc1OC)[C@H]1CCS(=O)(=O)C1 1507633718 GNDPLYYNVBJYRV-NRFANRHFSA-N 495.605 2.151 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CCc1ccc(OC)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1507635454 SIRPXMUFLMAWJC-HXUWFJFHSA-N 483.569 2.281 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CCOc2cccc(C(F)(F)F)n2)CC1 1507743134 ZYLDCSACOAYDMO-UHFFFAOYSA-N 450.465 2.299 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC2CCCC2)nnc1N1CCCN(S(C)(=O)=O)CC1 1507804810 IAXUTFLBROECPD-CTNGQTDRSA-N 451.637 2.464 30 10 JEEE C=C(C)COCCn1c(N2C[C@H](C)O[C@@]3(CCCOC3)C2)nnc1[C@@]1(OCC)CCOC1 1507847553 IZSPIZSYVQVQMY-AJSBUHFISA-N 450.580 2.297 30 10 JEEE C=CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1508042794 WYEILNLNCHNFDS-KNQAVFIVSA-N 465.602 2.322 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCO[C@H](c2ccc(F)cc2F)C1 1508084028 FNLYXDNBPAALFH-FQEVSTJZSA-N 454.481 2.422 30 10 JEEE COc1ccc(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CC[C@@](F)(C#N)C2)cn1 1518264764 DBYJSNRXVXUJBA-OAQYLSRUSA-N 456.503 2.242 30 10 JEEE C=C(Cl)C[C@H](NC(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1)C(=O)OCC 1535344924 LDJSHGJHEMWLOP-RKVPGOIHSA-N 458.964 2.289 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](c1cccs1)N1CCCC1 1538974518 SWXYMGGMMWQVQK-YESZJQIVSA-N 450.634 2.245 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3noc4c3COCC4)n2C[C@H](CC)OC)c1 1539039422 CGCMBUSOYMDLOT-SFHVURJKSA-N 464.526 2.487 30 10 JEEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CCN2[C@@H](C)CC[C@H]2C)CC1 1539088911 ABYNPANLADICQM-OYRHEFFESA-N 464.618 2.334 30 10 JEEE C#CCCCn1c(CCc2ccc(OC)cc2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1539134609 YFBMRSFWSSOPDI-VWLOTQADSA-N 464.570 2.300 30 10 JEEE C#CCN(c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@H](C)COC)[C@H]1CCS(=O)(=O)C1 1539206268 NXEGCLHWMSNMKL-MJGOQNOKSA-N 468.583 2.244 30 10 JEEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCN(CC(=O)N(C)C2CCCCC2)CC1 1539751445 NKWSONMJSLEGAX-NRFANRHFSA-N 474.650 2.288 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1540862746 IHLIDRWHHJSGRV-IRLDBZIGSA-N 499.635 2.464 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC(N2CCCNC2=O)CC1 1540874630 MZOXIJIJMILFHW-UHFFFAOYSA-N 481.601 2.160 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1540908093 PSCNITOZYGUILV-CQSZACIVSA-N 450.483 2.078 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1ccccc1CN1CC[C@H](O)C1 1541664546 HVKGIAWCBPOLKG-SQJMNOBHSA-N 465.602 2.161 30 10 JEEE COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nc(C)c(C)s2)CC1 1555200808 IBRMIOXEUAEAGN-UHFFFAOYSA-N 451.556 2.233 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@](C)(OC)C2CC2)c1 1587684241 URSIXGUMVZGDIA-DEOSSOPVSA-N 452.559 2.288 30 10 JEEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCN1CCN(C)C(C)(C)C1 1587926866 KGIKQTGEVBRIFQ-UHFFFAOYSA-N 456.591 2.066 30 10 JEEE C#CCN(CC#CC)c1nnc(COc2ccc(Br)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1588251200 OBXLLGOFEZIOGH-SFHVURJKSA-N 499.369 2.071 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CCN(CC)C2CC2)CC1 1588947064 KTVNQBAJYUCJAJ-UHFFFAOYSA-N 452.578 2.458 30 10 JEEE C=CCCCn1c(COc2ccc(C)cc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1594761071 UPZLWPCTAZTIBS-UHFFFAOYSA-N 452.559 2.059 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC(NC(=O)c2cc(C)oc2C)CC1 1595555792 HIXLIKBCCXWUKB-UHFFFAOYSA-N 477.569 2.175 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC[C@@H](NC(C)=O)C1 1595766137 MKPDXZPINWEEHV-LJQANCHMSA-N 483.598 2.041 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 1595797120 DWHUIEGCLGLZRO-MOPGFXCFSA-N 481.663 2.152 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCC(Cn2cncn2)CC1 1595804491 AHGBMOOSILKVEO-UHFFFAOYSA-N 491.568 2.256 30 10 JEEE C=CCN1CC[C@H](N(C)C(=O)c2cccc(S(=O)(=O)Nc3ccc4c(c3)OCO4)c2)C1=O 1639593768 CFWAJOCORBPVGR-SFHVURJKSA-N 457.508 2.075 30 10 JEEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1 1640066061 DOOWDSKFSDBGDY-UHFFFAOYSA-N 453.351 2.492 30 10 JEEE CC(=O)Nc1cc(S(=O)(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)ccc1F 1659428671 DAXBIJQIPVZUFJ-UHFFFAOYSA-N 459.459 2.415 30 10 JEEE COC(=O)[C@H](CNS(=O)(=O)c1cccc(Br)c1C#N)Cc1ccc(O)cc1 1661758075 FCQWEAOROHXDFQ-ZDUSSCGKSA-N 453.314 2.337 30 10 JEEE CS(=O)(=O)c1cccc(CS(=O)(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)c1 1663233433 CXLJEOXUXLIREP-UHFFFAOYSA-N 452.529 2.474 30 10 JEEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCc1ccccc1C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1689987900 FABGSSHSVCIZFW-WMZOPIPTSA-N 495.527 2.117 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3CC)n2C[C@@H]2CCCCS2(=O)=O)CC1 1690133619 NQERBLYZYHLQTQ-NRFANRHFSA-N 471.627 2.142 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccn2C)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1690244044 SKMBCWSTPMCBFV-ZJOUEHCJSA-N 476.647 2.373 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCC(NS(C)(=O)=O)CC1 1690250751 KWFBVYPCLJYVIR-JXFKEZNVSA-N 480.660 2.133 30 10 JEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCc2cc(OC)c(OC)c(OC)c2CC1 1690310277 ZGYCTFBUUQJRDM-LJQANCHMSA-N 485.585 2.453 30 10 JEEE C=C(Cl)Cn1c(N2CCN(CC(=O)NC3CC3)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1690358930 OCRZKXSGBAOTJX-MAEOIBBWSA-N 494.040 2.202 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCN2CCCO[C@@H](C)C2)CC1 1690411173 GRRMSRBIFWQDEJ-ICSRJNTNSA-N 451.637 2.084 30 10 JEEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1690419699 ZLJLIAUTLIBWEZ-UHFFFAOYSA-N 475.619 2.388 30 10 JEEE CCC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1)OC 1695094020 BIGQTLNWWKBLBJ-FCHUYYIVSA-N 465.602 2.375 30 10 JEEE COCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 1698066902 HEUYJEGUVLUORD-UHFFFAOYSA-N 465.602 2.280 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1oc2ccccc2c1C)[C@H]1CCS(=O)(=O)C1 1705559295 WTNANXNNVFNKIZ-KRWDZBQOSA-N 469.567 2.146 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1OCCC1(C)C 1705576341 KFVQXYAUKJWKJU-FQEVSTJZSA-N 455.584 2.083 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2COc3ccccc3O2)n1CC1(CS(C)(=O)=O)CC1 1705597793 QNUVBTPGJDUEQL-FQEVSTJZSA-N 454.552 2.078 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cnn(C)c2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1705671850 ADLQHIUBTISTPN-YLJYHZDGSA-N 451.497 2.324 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(C(=O)NC)CC1 1705697434 VEVCFHFHZKCMSY-PZJWPPBQSA-N 487.626 2.292 30 10 JEEE C=CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCn1cc(Br)cn1 1705838501 RAUAWYVTORIHOC-UHFFFAOYSA-N 455.324 2.202 30 10 JEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@]2(C)[C@H](C1)C2(Cl)Cl 1705907373 KLHFNOHDBHPVCE-KXBFYZLASA-N 452.390 2.462 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)ccc2C)nnc1N1CC[C@H](N2CCCC2=O)C1 1705938287 UFXYKPDVCDFEPK-FQEVSTJZSA-N 487.626 2.276 30 10 JEEE C=CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(C(C)=O)CC1 1705939479 FBLUQTZOKSQIRX-UHFFFAOYSA-N 463.007 2.449 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CC(C)(C)c1ccc2c(c1)OCCO2 1706870623 FUZSYFDWFDHXMQ-NYHFZMIOSA-N 492.577 2.079 30 10 JEEE Cc1nn(C)c(N2CCN(c3nnc([C@@H]4CCC(=O)N4)n3CCCC(C)(C)C)CC2)c1C#N 1707807605 HCBJHVZTQBGWTD-SFHVURJKSA-N 453.595 2.296 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1722287407 PIFBRWOCXLUFGS-IOMROCGXSA-N 452.584 2.479 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@H](C)N1CCOCC1 1722295596 XPBRSPMGNUTMDE-RTBURBONSA-N 463.586 2.415 30 10 JEEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)CCc2ccc(OC)cc2)CC1 1722322834 WFHNFVUFSVYLLE-UHFFFAOYSA-N 466.586 2.120 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](Cc2ccccc2)C1 1722332342 JHSKJWAKVILHJN-NHCUHLMSSA-N 457.600 2.093 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CC1C[C@H](C)O[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1722359869 WRSPZYXOQKLPTQ-ABSDTBQOSA-N 479.647 2.027 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccc(Cl)cc2Cl)n1Cc1cn(C2COC2)nn1 1722385715 KEZWMENCNNDYGP-UHFFFAOYSA-N 472.336 2.448 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@H](COC)OC 1722394565 WXSDNYVZLLLOOV-LJQANCHMSA-N 462.554 2.360 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cscc2C(F)(F)F)CC1 1722447077 DDDIDLKZZAWROS-INIZCTEOSA-N 480.516 2.324 30 10 JEEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(C(=O)NCCC)CC1 1722454504 LNLIAFGKNAHMNH-UHFFFAOYSA-N 479.614 2.030 30 10 JEEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1722459057 BHFQOOJIXNJLEV-OAQYLSRUSA-N 474.675 2.411 30 10 JEEE C=CCCOCCn1c(CC(C)C)nnc1N1C[C@@H]2[C@H](C1)[C@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1722629758 NXHCVLCPVIDZCK-GUDVDZBRSA-N 497.662 2.196 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CC(=O)N(C)C[C@H]1C 1722695804 QNHDJERLQCCWEC-QGZVFWFLSA-N 464.526 2.086 30 10 JEEE CC(=O)Nc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(CC#N)CC2)cc1 1722800675 ASHBGZZGEPGZCN-LJQANCHMSA-N 456.572 2.317 30 10 JEEE CC(C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1723627371 ICCHTFWEQPCZHR-UHFFFAOYSA-N 469.553 2.325 30 10 JEEE CCCOc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCN2CCC(O)CC2)cc1OC 1728216416 BFPIABVZCSXTTE-OAQYLSRUSA-N 484.601 2.318 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C)N2CCC[C@@H](C)C2)c1 1740561782 BRKFZWUOKARFDH-DXIQSLLYSA-N 477.613 2.406 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CCC(=O)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 1740627713 JSVRTVJWOGKMKJ-NRFANRHFSA-N 499.637 2.195 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCCN(C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1740628035 VBVPKIMLRFJSHH-IRLDBZIGSA-N 471.627 2.325 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2Cc2ccc(OC)cc2OC)CC1 1740704892 VSEKPDDNMUSZJC-UHFFFAOYSA-N 460.538 2.371 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCc2cc(Br)ccc2C1 1740951353 WHNMBVXDXIPHIA-UHFFFAOYSA-N 461.364 2.044 30 10 JEEE CC[C@H](C)[C@@](C)(O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1743495009 DFDGSNIMCPFLOO-WVCKHHOPSA-N 469.565 2.364 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)c1cccs1 1748672389 TXMPMCLHGCQIRM-HZPDHXFCSA-N 451.618 2.108 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CCCC3)n2CCC(=O)N2CCOCC2)c1 1748694787 OECGRUMBGYWRNW-UHFFFAOYSA-N 478.597 2.316 30 10 JEEE C#CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCCN(CCC)C(=O)C1 1748713055 NZAQTGSPSWFCPP-UHFFFAOYSA-N 461.570 2.444 30 10 JEEE C#CCN(c1nnc(COCC)n1CC(C)(C)c1ccc2c(c1)OCCO2)[C@H]1CCS(=O)(=O)C1 1748823977 GNOVCLGPZGPSEL-IBGZPJMESA-N 488.610 2.190 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@](C)(O)CCOC 1748902729 RZIXMODXSQMCNK-YDIMBITNSA-N 459.591 2.299 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCc1nnc2n1CCCCC2 1748950852 PCKRKQWDYBRBJO-UHFFFAOYSA-N 464.530 2.500 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@](C)(O)C2CC2)CC1 1749000604 YZOCAQXOJBMOKY-YADARESESA-N 458.607 2.266 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCC(=O)NC2CCCCC2)CC1 1749010376 QYEHEWOPLFTECS-OAQYLSRUSA-N 470.618 2.325 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OCC)n2CC2(C)COC2)CC1 1749019280 RHXCKLJVDNZNCK-UHFFFAOYSA-N 467.570 2.258 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC(C)(C)OC(C)(C)C1 1749118044 BPKBVSWUZZOZHK-IKGGRYGDSA-N 455.625 2.263 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC(C)(OC)C1 1749120927 JBVMYWMBNDZCMO-QUCCMNQESA-N 475.615 2.402 30 10 JEEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1749652776 SEDJPHIEAMDXQB-BWKNWUBXSA-N 452.603 2.423 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](C(F)(F)F)C1 1749655211 FECDTBCOMOFGRP-HNNXBMFYSA-N 471.505 2.430 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2Cc2cccnc2OC)C1 1749695535 DNOHTZNBYKZUEU-FQEVSTJZSA-N 498.609 2.429 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCN(CC)[C@@H](C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1749739963 ONIGPFHQFSCILQ-GBESFXJTSA-N 496.678 2.180 30 10 JEEE COCCN(CCC#N)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H]1CCCCS1(=O)=O 1749821535 CFYNGOHZYMWVPN-FQEVSTJZSA-N 488.614 2.481 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CCN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1760191381 GIVPHODCHIOADQ-HXUWFJFHSA-N 475.590 2.109 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1CCC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1760192759 XXJYZMYADAYYFF-HXUWFJFHSA-N 472.611 2.406 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1CCc1ccc2c(c1)OCCO2 1760242671 LENLVFYMNZLLRP-UHFFFAOYSA-N 462.510 2.025 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCCOC2CCOCC2)CC1 1760258730 QYKXPLINLUVKFK-UHFFFAOYSA-N 469.586 2.303 30 10 JEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2c(CC)nn(C)c2Cl)CC1 1760272317 GCYQRVOUTBPUCO-UHFFFAOYSA-N 493.081 2.054 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccccc2F)nnc1N1CCN(CC(=O)N(C)C)CC1 1760325066 OVMOWUGFOWFAIA-YADARESESA-N 486.592 2.188 30 10 JEEE C=C(Cl)Cn1c(C2CC2)nnc1N1C[C@@H]2[C@H](C1)[C@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1760373416 RIYRXNMHIHOLAJ-RBSFLKMASA-N 457.984 2.035 30 10 JEEE C=CCn1c(N2CCCN(CC(=O)N3CCCC3)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1760513003 FYYLEAGSEMJCFY-BGYRXZFFSA-N 487.649 2.369 30 10 JEEE CC(C)(C)c1ccc(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@]2(O)CCS(=O)(=O)C2)cc1 1760719127 BTRVPONFWYNYLY-PKTZIBPZSA-N 491.589 2.146 30 10 JEEE Cc1ccc(C)c(OCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H](N2CCOCC2)C(F)(F)F)c1 1761728816 DTAFMNIGTDNVRT-AZUAARDMSA-N 494.518 2.466 30 10 JEEE CCCNC(=O)CCn1c(Cc2ccncc2)nnc1N1CCN(c2ccccc2C#N)CC1 1766232605 BMIBYOAZDQHFMN-UHFFFAOYSA-N 458.570 2.378 30 10 JEEE CCN1CCN(C[C@@H](C)Cn2c(C(C)C)nnc2N2CCN(c3nccnc3C#N)C[C@@H]2C)CC1 1767141530 DLLYGYUWPRCMJB-RTWAWAEBSA-N 480.665 2.052 30 10 JEEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)C(C)(C)C)C[C@@H](C)O1 1770942722 AQRAOKUUXMBNCI-APWZRJJASA-N 461.588 2.270 30 10 JEEE COCCN(C)S(=O)(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)SC)C1 1771085713 GSSPMOIGQYEMIE-FXAWDEMLSA-N 492.671 2.445 30 10 JEEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1C(=O)O 1862757903 RZSCHKVPRVGHRJ-GOSISDBHSA-N 453.407 2.007 30 10 JEEE C=CCN(CC=C)c1nc(NC(=O)c2cc(OC)cc(OC)c2)n([C@H]2CCS(=O)(=O)C2)n1 1870002560 OTHISLPYXLAVCM-INIZCTEOSA-N 461.544 2.086 30 10 JEEE COc1ccc(OCc2nnc(SCC(N)=O)n2/N=C/c2cc(OC)c(O)c(OC)c2)cc1 1874292512 HKJPSZTWHWPWGA-AUEPDCJTSA-N 473.511 2.048 30 10 JEEE COC(=O)c1ccc(/C=N/n2c(CNC(C)=O)nnc2SCC(=O)Nc2ccc(F)cc2)cc1 1874432335 ZUTHSSONDUUNGO-OPEKNORGSA-N 484.513 2.453 30 10 JEEE CCCN(CCC)C(=O)COc1ccc(/C=N/n2c(C)nnc2SCC(N)=O)cc1OC 1874531128 SLTDRXOOHQVQHQ-FSJBWODESA-N 462.576 2.082 30 10 JEEE CC(C)N1C(=O)CS[C@H](C(=O)N2CCN(c3ccc(N(C)C)nn3)CC2)[C@@H]1c1ccc(C#N)cc1 1889627018 HOQOOZPZOBIDFI-ZEQRLZLVSA-N 493.637 2.157 30 10 JEEE COCCOc1ccc(C(=O)N2CCC(OCC#CCN3CCN(C(C)C)CC3)CC2)cc1 1890373275 ZKYIHJZTLXGNRH-UHFFFAOYSA-N 457.615 2.362 30 10 JEEE CC(C)(C)OC(=O)N1CCC(C(=O)O)(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC1 2120497763 DTUIGBAZVZNPQB-OAHLLOKOSA-N 466.535 2.060 30 10 JEEE CC(C)(C)OC(=O)NC1(CNS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)CC1 2247880168 BTMWQHKLMGLPLO-UHFFFAOYSA-N 458.411 2.383 30 10 JEEE CC(C)(C)OC(=O)NCC1CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2247880528 GUHMEKZATLUKJO-UHFFFAOYSA-N 458.411 2.193 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2247963066 TVMHQANEASONBP-CYBMUJFWSA-N 458.411 2.335 30 10 JEEE CC(C)(C)OC(=O)NC[C@H](CO)NC(=O)c1cc(Cl)cc(B2OC(C)(C)C(C)(C)O2)c1 2255543086 CCDNHHLZDLTBSL-MRXNPFEDSA-N 454.760 2.255 30 10 JEEE Cn1nc(C(=O)N[C@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2267186262 HCMBTAIIMLCOPZ-QKVFXAPYSA-N 466.775 2.112 30 10 JEEE CC(C)C[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2267523392 ASUBFONDHZUJLJ-OAHLLOKOSA-N 450.389 2.389 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)Nc1nc(B2OC(C)(C)C(C)(C)O2)ccc1Cl 2268633710 DNWRWCBGMDGCBK-TZMCWYRMSA-N 467.759 2.343 30 10 JEEE CC(C)(C)OC(=O)NC12COC(C(=O)NCc3cc(B4OC(C)(C)C(C)(C)O4)cs3)(C1)C2 2268778580 RHZSENPKTMQZFY-UHFFFAOYSA-N 464.393 2.490 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2F)C1 2281791118 WYTFBZSMTYUMGQ-RDTXWAMCSA-N 464.343 2.083 30 10 JEEE Cn1ncc(C(=O)N=S2(=O)CCC(NC(=O)OC(C)(C)C)CC2)c1B1OC(C)(C)C(C)(C)O1 2281815099 PPACEGGLIQGFHQ-UHFFFAOYSA-N 482.412 2.015 30 10 JEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H](NC(=O)OC(C)(C)C)CCC2(C)C)n1 2281935526 CENYTVGKWSHABI-CQSZACIVSA-N 463.388 2.022 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(C(=O)OC(C)(C)C)[C@H]2CC[C@H]21 2282001172 XRVALXYOKOHORM-CVEARBPZSA-N 460.384 2.252 30 10 JEEE CC(C)(C)OC(=O)N1CC(N(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)[C@@H]2CCOC2)C1 2282009896 UMMJIGLEVVQOAK-CQSZACIVSA-N 479.408 2.293 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@@](F)(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)C1 2282010958 BIDIRPFMARQPJD-OAQYLSRUSA-N 485.387 2.148 30 10 JEEE CC(C)(C)OC(=O)N1[C@H](CNC(=O)c2occc2B2OC(C)(C)C(C)(C)O2)C[C@H]2OCC[C@@H]21 2282036316 HNSUPXKJHUWVCZ-BHYGNILZSA-N 462.352 2.476 30 10 JEEE CC(C)(C)OC(=O)NCCC1(O)CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)CC1 2282193537 NAVOHXILCHXOCI-UHFFFAOYSA-N 463.384 2.196 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)[C@@H]2CC[C@@H]21 2282612847 ICQIYIWFUQVZAF-ULQDDVLXSA-N 458.368 2.294 30 10 JEEE C[C@@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 2282626379 BJUDZYUHKFIOJA-CVEARBPZSA-N 462.400 2.485 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H](NC(=O)c3ncc(B4OC(C)(C)C(C)(C)O4)cn3)C[C@H]2C1 2282627690 JKAFVKZUQRBCCU-QLPKVWCKSA-N 458.368 2.151 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2C[C@@H](B3OC(C)(C)C(C)(C)O3)C2)[C@H]2CS(=O)(=O)C[C@H]21 2282630352 IAFQZFULIWJURN-VVLHAWIVSA-N 484.424 2.104 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@@](F)(CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)C1 2282632199 IKSSTHQORDNTQW-JOCHJYFZSA-N 468.331 2.284 30 10 JEEE CN(C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2283060689 NHIKBNLGOFBCOU-INIZCTEOSA-N 460.384 2.495 30 10 JEEE COC(=O)[C@H](CC(=O)Nc1nc(B2OC(C)(C)C(C)(C)O2)ccc1Cl)NC(=O)OC(C)(C)C 2283926137 JPPNNBORCSSKCR-ZDUSSCGKSA-N 483.758 2.429 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)N1CCc2c(B3OC(C)(C)C(C)(C)O3)cccc21 2283960821 BTJKBRPDQQATBE-KXBFYZLASA-N 458.364 2.245 30 10 JEEE COC(=O)c1[nH]c(C)c(C(O)=C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(OC)cc2)c1C 2296135902 HPWCNTFPVCHQDS-QFIPXVFZSA-N 497.548 2.181 30 10 JEEE CN(C)c1ccc(C=Nn2c(SCC(N)=O)nnc2[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1 2325918203 NVDPEPQTFBJSFG-LJQANCHMSA-N 477.594 2.320 30 10 JEEE COc1ccc(C=CC(=O)[C@@H]2CNCC[C@H]2NC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)cc1OC 2328155750 HCPOYSPACCFXLU-MAODMQOUSA-N 491.544 2.065 30 10 JEEE COCCc1nnc(SCC(=O)NCc2ccco2)n1N=Cc1ccc(C(=O)OC)cc1 2331273542 OBQRZBAKVSOLJC-UHFFFAOYSA-N 457.512 2.137 30 10 JEEE CC(C)(C)OC(=O)N1CC(OCCCNC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C1 2337336651 BVNNUYPWAQMSTR-UHFFFAOYSA-N 467.397 2.198 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@]2(CNC(=O)c3ncncc3B3OC(C)(C)C(C)(C)O3)CC[C@H]1C2 2363696792 DQNIBMOVTCBBQI-WNSKOXEYSA-N 458.368 2.295 30 10 JEEE COc1ccc(CCNC(=O)c2cccc(/N=C3\N[C@@H]4CS(=O)(=O)C[C@H]4S3)c2)c(OC)c1 9530070 GCNIWCNOYQDBHF-UYAOXDASSA-N 475.592 2.166 30 10 JEEE CCOc1ccccc1NC(=O)CSc1nnc(N/N=C/c2cc([N+](=O)[O-])ccc2O)n1N 20527393 YXFVSHFFXGPEHD-UFFVCSGVSA-N 472.487 2.181 30 10 JEEE C/C(=N\Nc1nnc(SCC(=O)Nc2cccc([N+](=O)[O-])c2)n1N)c1ccc2c(c1)OCO2 21318399 UKELSHPYRXVQJP-SSDVNMTOSA-N 470.471 2.196 30 10 JEEE Nn1c(NN=Cc2cc([N+](=O)[O-])ccc2O)nnc1SCC(=O)Nc1c(F)cccc1F 1084205552 AFRBPNFEBLHEAC-UHFFFAOYSA-N 464.414 2.061 30 10 JEEE COc1ccc(C=NNc2nnc(SCC(=O)Nc3ccccc3[N+](=O)[O-])n2N)cc1OC 1084610940 QTRUFGVMLJWXGR-UHFFFAOYSA-N 472.487 2.094 30 10 JEEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCCN(c3ncccc3F)CC2)CC1 1169481046 AVEOUDFBJXBUDP-QFIPXVFZSA-N 454.525 2.281 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC(=O)NCC(F)F 1286299116 SFKLBUMGFRMCJJ-CQSZACIVSA-N 454.522 2.232 30 10 JEEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1286314761 RAOCSUCRZVPFHY-UHFFFAOYSA-N 464.574 2.457 30 10 JEEE C#CCCCCn1c(-c2cnccn2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1286321223 LEPSYTXHHSBDEA-IBGZPJMESA-N 450.591 2.108 30 10 JEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(OC)cc1 1286322064 CKWCJVKEYXQOOL-HXUWFJFHSA-N 461.588 2.060 30 10 JEEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(N2CCOCC2)cc1 1286378878 ZGHCZRSHEMZFLY-UHFFFAOYSA-N 450.568 2.224 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1CCn1cc(C)cn1)[C@@H]1CCS(=O)(=O)C1 1286386150 VMQFEHNVYHMDIC-RBUKOAKNSA-N 486.573 2.389 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@]2(C)OCCc3sccc32)CC1 1286471242 HZYFMWILWODFDJ-FDDCHVKYSA-N 459.616 2.307 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@H](C)c2ccsc2)CC1 1286509530 SNIFQMHNYWTDFA-IEBWSBKVSA-N 479.697 2.491 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1286563144 CDGCKLCDMYZIGK-LAUBAEHRSA-N 479.578 2.059 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)cc1SC 1286726225 BYKXFZYRLXKSPS-KRWDZBQOSA-N 451.618 2.312 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCOC[C@@H]1C 1286749479 TUYKRHBRMDMPPV-ROUUACIJSA-N 465.645 2.155 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1286784625 OFHCPARCACABPN-UHFFFAOYSA-N 461.570 2.348 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@H](CC)C1 1286816472 LSGMXAFQWWROIZ-KRWDZBQOSA-N 456.576 2.148 30 10 JEEE C=CCS(=O)(=O)CCn1c(CSc2ccc(C)cc2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1286824185 WRHKPIUVZUTSNT-GOSISDBHSA-N 475.640 2.291 30 10 JEEE C=CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H]2OCO[C@@H]2C1 1286832228 QWZMOYBHECKRDA-YESZJQIVSA-N 467.592 2.067 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1cccc(CN(C)C)c1)[C@@H]1CCS(=O)(=O)C1 1300487040 DVJOSZUOMYUKPI-JOCHJYFZSA-N 464.595 2.077 30 10 JEEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1CCC1(F)CCC1)[C@H]1CCS(=O)(=O)C1 1300504063 JIEHLJSAMHKKIF-INIZCTEOSA-N 479.603 2.179 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCN1CCCCC1 1300664801 VEKGISWRBHVTEH-UHFFFAOYSA-N 463.586 2.247 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3OCC)n2Cc2nnc(CC)s2)CC1 1300709947 MFSOPXXSJZBLKI-UHFFFAOYSA-N 467.599 2.473 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCC2(O)CCC2)CC1 1300717072 XLMIIXZIGYVWAS-UHFFFAOYSA-N 475.391 2.307 30 10 JEEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1300745122 FZCJCGVDQARSJI-SFHVURJKSA-N 474.034 2.103 30 10 JEEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1300769970 MYGUYIQCCSXSFX-OAQYLSRUSA-N 498.701 2.075 30 10 JEEE C#CCSCCn1c(COc2ccccc2CC)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1300777299 SVVDFVDHFDJEKU-LJQANCHMSA-N 454.600 2.342 30 10 JEEE C=CCCCCn1c(N2CCN(C(=O)N3CCOCC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1301199079 WLALCCNJLRRFKS-DEOSSOPVSA-N 476.622 2.249 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1301575989 OJDYJRLPGRKYCS-JKSBSHDWSA-N 491.570 2.227 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1CCCN1CCCO 1358870148 GUWRGCQBCDPJSY-FXAWDEMLSA-N 458.994 2.166 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1(S(C)(=O)=O)CCC1 1358885891 SYPJSGOTFJOHPA-MRXNPFEDSA-N 468.583 2.100 30 10 JEEE C#CCCCn1c(COc2ccc(OC)cc2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1358934728 LPUAYQXGCOXPHS-OAQYLSRUSA-N 466.542 2.046 30 10 JEEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CCSC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1358956132 AWVVKCPGISCZDV-CRAIPNDOSA-N 496.577 2.198 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1Cc1cc(Br)cs1)[C@@H]1CCS(=O)(=O)C1 1358961411 YJCWONAUNYRZMF-CQSZACIVSA-N 493.412 2.234 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccc(CN(CC)CC)cc1)[C@H]1CCS(=O)(=O)C1 1358963949 QIZIRLQLVPRMSN-GOTSBHOMSA-N 485.654 2.299 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H]1CCN(CC)C1 1358991945 UVZLHJFUOCPCRG-HXUWFJFHSA-N 457.582 2.480 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(Cl)c(OC)c2)CC1 1359040364 QVRKNYCHJKLTEW-UHFFFAOYSA-N 472.977 2.092 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2Cc2cccnc2OC)CC1 1359045477 IXMPZVKQNWDEND-UHFFFAOYSA-N 462.529 2.426 30 10 JEEE C=C(C)COCCn1c(CCc2ccccc2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1359135434 CVXALZFBOJNEAD-JOCHJYFZSA-N 466.586 2.423 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(OC)c(F)c2)CC1 1359179593 ZAJJUBCQMQJZJC-HXUWFJFHSA-N 479.578 2.209 30 10 JEEE C=CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(C(=O)NCC)CC1 1359215703 HSJYZPZOEZMLMI-UHFFFAOYSA-N 453.595 2.270 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1 1359306718 ONOBDTFTQBPOAD-LNLFQRSKSA-N 473.578 2.195 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H]2CCCCO2)nnc1N1CCN(CCOC)C(=O)C1 1359310058 LLWSWLJAJGSPGT-NRFANRHFSA-N 455.559 2.428 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](c2ccsc2)N(C)C)C1 1359322237 RZKQYYRDZLPZIO-QRVBRYPASA-N 465.645 2.326 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(F)(F)CC1 1359330987 JLIJHDDYYWEYSD-UHFFFAOYSA-N 488.586 2.075 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N(C)Cc1cc(C)on1 1359332953 KYQDWYGUQSVRSJ-LJQANCHMSA-N 459.528 2.324 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1359333217 RAHYCTFLFURXIF-UXPWSPDFSA-N 462.572 2.253 30 10 JEEE CC(C)C(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2COCCO2)C1 1359627201 DXSSWXLIKOUOBH-FPOVZHCZSA-N 452.559 2.221 30 10 JEEE Cc1nn(C)c(C)c1CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NC(C)C)CC1 1492723227 GRPRMRIPDINGSQ-UHFFFAOYSA-N 475.601 2.014 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCN1C[C@H](C)O[C@H](C)C1 1507529227 QQOZAEMXVJHMHN-GBESFXJTSA-N 473.647 2.195 30 10 JEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1507564304 ONZDTVKNNSUJRH-SFHVURJKSA-N 470.574 2.321 30 10 JEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](COc2ccccc2)C1 1507564870 YLJXRSKPIPVTTK-PZJWPPBQSA-N 458.584 2.268 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNc1ncc(Cl)cc1Cl 1507654348 ZEYIIHZJNGONIG-CQSZACIVSA-N 467.382 2.067 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1C[C@@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1507658502 CHCVYTORPXBKPZ-PPGORRQASA-N 499.612 2.099 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCC(=O)NC 1507700672 UHZVYLSSIHSZHI-UHFFFAOYSA-N 497.600 2.462 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2C[C@H]2CCS(=O)(=O)C2)CC1 1507722139 PXHHXWNQUHCPHP-NHCUHLMSSA-N 471.627 2.225 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1CCCC1 1507800335 VAUNBPZCQDYCME-AABGKKOBSA-N 467.636 2.219 30 10 JEEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1507830722 UPULMOYGBAEENJ-SJORKVTESA-N 469.608 2.176 30 10 JEEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 1507842722 KVYHWZUEHBXQEC-SFTDATJTSA-N 482.633 2.145 30 10 JEEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1507844062 BKGCNYWLADUSMI-SFHVURJKSA-N 458.563 2.460 30 10 JEEE C=C(Cl)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](CC(N)=O)C1 1507868442 KEOARDVBRAKHRG-JKSUJKDBSA-N 468.986 2.431 30 10 JEEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1507934707 IWBODCQYYNHZCE-LEWJYISDSA-N 492.690 2.060 30 10 JEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(=O)c2ccccc2)CC1 1507944539 SKMQCAVWAKPCHA-KRWDZBQOSA-N 460.604 2.253 30 10 JEEE C=CCn1c(N2CCC(NS(=O)(=O)CC)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1508066252 MDSCXVPYMXZIHB-WOVMCDHWSA-N 468.624 2.143 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[C@@H](N2CCCC2=O)C1 1508132317 WXQXMUJQKAZUDH-QZTJIDSGSA-N 491.589 2.359 30 10 JEEE C[C@H](C#N)CN(C)c1nnc(Cc2ccccn2)n1CCCN1CCN(c2ccncc2)CC1 1508422045 FDQJZQUQGRNATD-OAQYLSRUSA-N 459.602 2.467 30 10 JEEE N#Cc1c(F)cccc1-n1ccc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)OCCO3)n1 1515219211 IBHNCEXTWNWEHO-UHFFFAOYSA-N 456.455 2.457 30 10 JEEE CCN(C)C(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC[C@@](C)(C#N)C1 1515322521 ATQMEPFIHPKOAZ-DEOSSOPVSA-N 462.558 2.283 30 10 JEEE CCOC1CC(CCn2c(-c3cccc(C#N)c3)nnc2N2CCN(S(C)(=O)=O)CC2)C1 1516360813 ABLFLMPYQCXGOB-UHFFFAOYSA-N 458.588 2.104 30 10 JEEE CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCN(C)C2CCCCC2)CCO1 1517534103 CDFVMOBMCRLMEP-JOCHJYFZSA-N 465.602 2.423 30 10 JEEE COCC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCCS2)CC1 1518654355 GVGDNUQMDFVWIR-FQEVSTJZSA-N 470.599 2.309 30 10 JEEE CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N3CCCC(C)(C)[C@H]3C#N)CC2)o1 1520585700 HKZUWVZIPWVXNP-QGZVFWFLSA-N 451.545 2.398 30 10 JEEE N#Cc1ccc(N2CCC[C@@H](NC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)C2=O)cc1 1538383627 HTBDUHDKNUQUNG-OAQYLSRUSA-N 452.536 2.268 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1cccnc1OC)[C@H]1CCS(=O)(=O)C1 1539230835 LKJAFUGDUCPYMW-XUVXKRRUSA-N 487.626 2.275 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1Cc1ccc(N(C)C)nc1)[C@H]1CCS(=O)(=O)C1 1539231740 XPCSESFHSNMEGR-FQEVSTJZSA-N 498.584 2.132 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC(CC(=O)N(C)C)CC1 1539642260 IGGAGHOLZZLWGU-XXBNENTESA-N 458.607 2.076 30 10 JEEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@](C)(C(=O)NC)C1 1539986453 ZAXMLSLNXPUERX-QFIPXVFZSA-N 460.604 2.124 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2CC(F)(F)C2(OC)CCOCC2)C1 1540889694 SBWGVGMENANVPI-KRWDZBQOSA-N 452.506 2.291 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@H]1CCCN1C1CCCCC1 1541927038 CUINIJNHDXIAEB-YRISNDGFSA-N 467.615 2.127 30 10 JEEE COCC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC2CCOCC2)CC1 1555418884 FNRWEXYOCNBECM-VWLOTQADSA-N 468.602 2.153 30 10 JEEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 1587804273 XGJBEUXHFMZFSO-INIZCTEOSA-N 450.503 2.423 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CC1(OC)CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1588064718 NYBBVQSCFOOZCJ-MMPATGFWSA-N 471.627 2.486 30 10 JEEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1C[C@](C)(O)C1CC1)[C@H]1CCS(=O)(=O)C1 1588069857 UHVIKUCJOYSZLO-AVRDEDQJSA-N 479.002 2.298 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCC[C@@H]1NC(=O)NC1=O 1588084300 POVAOERJUFMYHA-QAPCUYQASA-N 454.918 2.133 30 10 JEEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(=O)NC(C)(C)C 1588398620 HIOZDARXGLGIMG-QGZVFWFLSA-N 462.595 2.351 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2noc3c2COCC3)n1CC(=O)NCC(F)(F)F 1588482451 SBVXQOYRRUHYBV-UHFFFAOYSA-N 492.433 2.463 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2CC2(S(C)(=O)=O)CCCC2)CC1 1588848653 JWRNLISTROGOJY-UHFFFAOYSA-N 459.591 2.121 30 10 JEEE C#CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1589036527 KPVKWQYIDQFJPH-IBGZPJMESA-N 475.640 2.324 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1589484496 UCSNIOMLVQSRNL-UFYCRDLUSA-N 467.636 2.014 30 10 JEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)N1CCCCC1)C1CC1 1595054950 VQAQVUCKAFDESI-LJQANCHMSA-N 466.652 2.030 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CCCC1 1595134238 WOFSWJVJTWZSHP-FQEVSTJZSA-N 493.605 2.248 30 10 JEEE C=C(C)C[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1)C(=O)OCC 1598350187 HXHUHTULUUAFKQ-CRAIPNDOSA-N 453.517 2.010 30 10 JEEE CO[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC2CCOCC2)CC1 1618946333 BIZWXQREENIZAG-LJQANCHMSA-N 454.575 2.312 30 10 JEEE C#CCOc1cc(F)ccc1NC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O 1620838095 DGJXRMXTHKCYKN-INIZCTEOSA-N 458.467 2.414 30 10 JEEE C#CC1CCN(CC(=O)NCCN2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)CC1 1646386682 YTMLWZQOLPJRLW-UNOMPAQXSA-N 457.577 2.078 30 10 JEEE C#CCOc1ccc(CNC(=O)NCc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)cc1 1683189571 CODFOEAPSHGITF-OAQYLSRUSA-N 457.552 2.155 30 10 JEEE C#CCN(c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC(=O)NCC=C)[C@@H]1CCS(=O)(=O)C1 1689982060 HECYTBTWCPPRPP-FUHWJXTLSA-N 487.651 2.060 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@H](c1cccc(OC)c1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1689985768 AYTOHQWRMFWNEE-NFBKMPQASA-N 496.637 2.222 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@H](c1ccccc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1689992196 IETZIGNJHVZTGR-DHIUTWEWSA-N 478.622 2.194 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CC[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1689997068 VFZYRRPLADAEAB-WOJBJXKFSA-N 458.584 2.219 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cccc(O)c1 1690019769 RDTYGJMYMVEZQD-HXUWFJFHSA-N 451.527 2.413 30 10 JEEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1CCCN1C[C@H](C)O[C@@H](C)C1 1690051022 JWIINIMGTBIWGI-VXKWHMMOSA-N 459.598 2.479 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccc(F)c(COC)c2)CC1 1690110283 FQQNBOJVFUNXFY-UHFFFAOYSA-N 456.566 2.286 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1690115355 BVZMPPAYEQPTPX-QGZVFWFLSA-N 492.443 2.206 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2C[C@@H](C)N2CCN(CC)CC2)CC1 1690140133 MVOCJNOCSLNXRJ-JOCHJYFZSA-N 477.657 2.245 30 10 JEEE C#CCSCCn1c(N2C[C@H]3NC(=O)CC[C@@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1690185873 IDHHBFWKLYGRNF-ZJPYXAASSA-N 474.631 2.130 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC([C@@H]2CCOC2)CC1 1690236819 RNNCXFDEAPQKRH-NBYUQASBSA-N 467.636 2.122 30 10 JEEE C=C(C)COCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1690306538 WYLQSDSEKLPMML-QFIPXVFZSA-N 498.628 2.298 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 1690658991 GJRLMWLIZBPVSI-TZIWHRDSSA-N 465.602 2.021 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C)c(Br)c2)nnc1N(C)CCS(=O)(=O)CC 1690664088 KAUQVOYUFRZZGZ-UHFFFAOYSA-N 484.420 2.189 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2c(C)cc(C)cc2C)C1 1690700324 QRMSRBZZZNHHJE-IFMALSPDSA-N 489.642 2.366 30 10 JEEE C=CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1690744877 UFJGPGKKIMPVFU-SFHVURJKSA-N 475.619 2.148 30 10 JEEE CC(=O)N1CCC[C@H](Cn2c(CC(C)C)nnc2N2CCN(c3ccc(C#N)cn3)CC2)C1 1690809211 DRUGTCOPSSUMLU-NRFANRHFSA-N 450.591 2.328 30 10 JEEE COC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2CCN(CCN(C)C)CC2)C1 1697030396 BFRIDRNUCULXHA-QHCPKHFHSA-N 479.629 2.480 30 10 JEEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(C)n(C)c2=O)C[C@H]1C 1698086983 BEYVXARMYIRVNR-LJQANCHMSA-N 461.570 2.029 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CCCN(C)C(C)C)c1 1705504588 BEGNOUVSVKIFEG-HXUWFJFHSA-N 451.575 2.016 30 10 JEEE C#CCN(c1nnc(-c2cccc(Br)c2)n1CCCOC)[C@@H]1CCS(=O)(=O)C1 1705561715 SPADVGZYKXNBDE-QGZVFWFLSA-N 467.389 2.371 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC1CCN(CC(F)(F)F)CC1 1705613410 ZOKOUURBLHWICH-KRWDZBQOSA-N 461.554 2.304 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1csc(-c2ccco2)n1 1705629200 ZQHGSXBTGDYHGE-OAHLLOKOSA-N 461.569 2.031 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@](C)(O)C2CCCCC2)CC1 1705644091 GQICKVZKGALCSC-SANMLTNESA-N 486.661 2.494 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(OC)c(OC)c(OC)c1 1705674424 ITFGFAPPYIOYHO-UZUQRXQVSA-N 474.583 2.246 30 10 JEEE C=C(Br)Cn1c(-c2noc3c2COCC3)nnc1N(C)Cc1ncnn1CC(F)F 1705685113 NPOLVJARLLIJHC-UHFFFAOYSA-N 485.293 2.407 30 10 JEEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1705730036 AETIKLYCFHDZNO-UHFFFAOYSA-N 492.422 2.029 30 10 JEEE C=CC1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2(C(N)=O)CCOCC2)CC1 1705777310 DWFYBULIFSGEAM-UHFFFAOYSA-N 473.599 2.033 30 10 JEEE C=CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1705810877 KILPOVVNPSGPTI-KRWDZBQOSA-N 451.980 2.451 30 10 JEEE C=CCN(CC=C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H]1CCCN1S(C)(=O)=O 1705873384 HDFQNDSROMEVEQ-GOSISDBHSA-N 497.625 2.277 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(C)cc(C)cc1C 1705884214 JEDWQADTSJJWKL-NRFANRHFSA-N 477.631 2.223 30 10 JEEE C=CCn1c(-c2cc(OC)ccc2Br)nnc1N1CCO[C@H](CNC(C)=O)C1 1705888085 DRYBXQFEQCJCSO-OAHLLOKOSA-N 450.337 2.244 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1705898599 QWSFZJJWJQGQCW-QFIPXVFZSA-N 495.584 2.355 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)COc2ccc(F)cc2)CC1 1705903282 PFFWAVVHZLPTQE-UHFFFAOYSA-N 482.516 2.015 30 10 JEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 1705905745 FMASEOSUQMEUIA-UHFFFAOYSA-N 485.658 2.411 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@@H](C)S[C@H](C)C1 1705934818 YIMVOGOQYYLTFS-HZPDHXFCSA-N 488.639 2.123 30 10 JEEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H](C(C)C)C1 1705938289 UFYCPMBWGYPXMJ-INIZCTEOSA-N 451.618 2.353 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC1(c2ccc(F)cc2F)CC1 1706870533 DMWFFRKORHZANL-ZUOKHONESA-N 468.505 2.340 30 10 JEEE Cc1c(Cn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N2CCC[C@@](C)(C#N)C2)cnn1C 1707021541 DETIUEQIPMPLES-QHCPKHFHSA-N 482.614 2.416 30 10 JEEE C#CCCCn1c(N2CCN(c3nccc(OCC)n3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1722340842 KBADVXJALRIHBY-XMMPIXPASA-N 469.590 2.247 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CC(C)(C)COC)[C@@H]1CCS(=O)(=O)C1 1722371258 IGEODRPZSDZBHH-LJQANCHMSA-N 471.583 2.028 30 10 JEEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1722405549 MTWOWOMTWRRFPA-DHLKQENFSA-N 453.587 2.291 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)cc(C)c2)n1CC1(O)CCS(=O)(=O)CC1 1722475992 KZORTZKXVIOIQM-HSZRJFAPSA-N 472.611 2.406 30 10 JEEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCC2(CCN(C)C2=O)CC1 1722479616 KKQAQBNOFDBHBE-OAHLLOKOSA-N 456.385 2.359 30 10 JEEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H]1COc2ccccc2O1 1722481722 AAGYWCDSKCNJBL-LSDHHAIUSA-N 483.388 2.365 30 10 JEEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(S(C)(=O)=O)CC1 1722551556 BNCMXGANMSOXMO-INIZCTEOSA-N 490.026 2.352 30 10 JEEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(N2CCSCC2)CCCC1)C1CC1 1722647748 YYVIKKPGORYKPA-QGZVFWFLSA-N 468.693 2.405 30 10 JEEE C=CCn1c(N2CCN(CC(=O)NC3CCCCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1722690628 KGMIJSZRJSCLCM-XMMPIXPASA-N 460.623 2.076 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1722693680 XFDJVJYOVUWOLI-UHFFFAOYSA-N 479.976 2.141 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C)C[C@@H]1c1cccc(OC)c1 1722728135 UMLAHKDOPCUMHM-FFZOFVMBSA-N 473.599 2.426 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCO[C@H](c2ccc(F)cc2F)C1 1722728779 YVWZPYOXKPQPJJ-IBGZPJMESA-N 476.509 2.192 30 10 JEEE C=CCSCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCO[C@H](C(=O)NC)C1 1722738428 JKGXALXIJYPSPG-MSOLQXFVSA-N 494.662 2.263 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccc(C)n3)n2CC(=O)NCC(F)(F)F)c1 1740562894 NTRACTZNJQNZEM-UHFFFAOYSA-N 485.470 2.383 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1Cc1conc1COC)[C@H]1CCS(=O)(=O)C1 1740620486 PQSLMDWTRPBVDM-SFHVURJKSA-N 455.540 2.063 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@H]1CCCN1S(C)(=O)=O 1740648667 JNCXZRJUWYQRAF-RTBURBONSA-N 473.574 2.444 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCO[C@@H]1C(C)C 1740683662 CBJVCHLQRSWLJE-XMSQKQJNSA-N 464.570 2.339 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCc2sc(C)nc2C)CC1 1740697841 MZIULRZUXBBREX-UHFFFAOYSA-N 484.651 2.420 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC[C@H]2COCCO2)CC1 1740702245 KGKKIOMHYFDLQM-GCJKJVERSA-N 485.560 2.329 30 10 JEEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1740721478 KKOOJODPCCJJOX-NRFANRHFSA-N 466.611 2.254 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1740752072 SGGKRXZUTOEIHU-FKPGQJDZSA-N 458.607 2.235 30 10 JEEE C=C(C)COCCn1c(N2CCN3C(=O)N(C)C[C@@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740799630 QMMLSHUFFHFGKH-CEXWTWQISA-N 489.621 2.198 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1740847966 YUWSZNYCWFLFLE-GOSISDBHSA-N 451.579 2.072 30 10 JEEE C=CCN(c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@@]1(O)CCS(=O)(=O)C1)C1CC1 1740906805 LHRIYLZONJKDIW-FQEVSTJZSA-N 497.415 2.421 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1740963353 IKZCTZYIORFDLA-QUCCMNQESA-N 466.586 2.306 30 10 JEEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1740964121 IOUXPLRCZROKMH-DLBZAZTESA-N 450.584 2.246 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCSC1)[C@@H]1CCS(=O)(=O)C1 1748808660 FQXNDSADJGBXLB-GOEBONIOSA-N 452.005 2.373 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCSC(C)C)[C@H]1CCS(=O)(=O)C1 1748818458 BSQZXWLUDDRNDW-KRWDZBQOSA-N 453.659 2.402 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1748833051 HCTQGOUDHQGVFK-QGZVFWFLSA-N 490.427 2.370 30 10 JEEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1CC1(C(=O)NCC)CCC1 1748900612 HVWMPCOSIXTORU-UHFFFAOYSA-N 452.584 2.039 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCCN1CCC(O)CC1 1748923048 RKYZEAJNOUNVIU-UHFFFAOYSA-N 477.613 2.371 30 10 JEEE COc1ncccc1Cn1c(-c2cccc(C#N)c2)nnc1N(CCS(C)(=O)=O)C1CC1 1749137324 CGWFOHARWQHPGV-UHFFFAOYSA-N 452.540 2.282 30 10 JEEE C=C(C)COCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1749215574 BKRHWVOOKMDCQD-FQEVSTJZSA-N 463.542 2.176 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N(C)Cc1ccc(N2CCOCC2)cc1 1749730104 ZNKONEMYJPMZLD-UHFFFAOYSA-N 470.599 2.347 30 10 JEEE CC(C)[C@@](C)(O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1750579800 DUJWTCZXDMVSJX-BWKNWUBXSA-N 465.602 2.220 30 10 JEEE C#CCN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC(=O)NCc1ccco1 1760224734 XNPSMVGAUGTMTO-UHFFFAOYSA-N 454.918 2.230 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2Cc2cccnc2OC)CC1 1760252148 MJPAEJYFXARSQY-UHFFFAOYSA-N 459.554 2.354 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)ccc3Br)n2CCOCCOC)CC1 1760255172 VNJCMAXWXAGRHF-UHFFFAOYSA-N 478.391 2.134 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCCc3ccccc3)n2C[C@H](C)N2CCOCC2)CC1 1760271127 MWVYDTOAAXHLAX-QFIPXVFZSA-N 478.641 2.140 30 10 JEEE C=C(Br)Cn1c(Cc2cccnc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1760309630 CMWKTHCHNYEWFU-QGZVFWFLSA-N 461.364 2.000 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC(C(=O)NCCCOC)CC1 1760336116 VCJVNXBPSYYZBG-CTNGQTDRSA-N 471.606 2.029 30 10 JEEE C=C(C)COCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](COC)C1 1760358162 RTHUGBWDCVQCST-RBUKOAKNSA-N 481.594 2.031 30 10 JEEE C=CCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1760443201 PKBGXIYGKVNGIH-QFIPXVFZSA-N 472.659 2.232 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccc(C)n2)n1CCS(=O)(=O)NC 1760479174 GXBKJRBXHWXLON-UHFFFAOYSA-N 451.556 2.262 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccnc(OC(F)F)c2)C1 1760542378 GQWNPHOGPITXQO-CVEARBPZSA-N 469.514 2.006 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3ccccc3n2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1760552973 HWYUIHXJPICQIU-LJQANCHMSA-N 482.610 2.399 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(Cc2cccs2)CC1 1760556144 VVPRPTQOVKNZSW-GOSISDBHSA-N 465.645 2.157 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@](C)(c2ccccc2)C1 1760557316 HMILIXMMJDNCMU-XMMPIXPASA-N 484.626 2.493 30 10 JEEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 1760564216 SJWGRHJPKAAPCP-VQTJNVASSA-N 484.674 2.471 30 10 JEEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1760569339 LOEBWBKBVSDKBG-IBGZPJMESA-N 483.646 2.457 30 10 JEEE CC[C@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1Cc1cccn(CC)c1=O 1761884151 FYNWYDGXLGMWPH-ZWKOTPCHSA-N 461.574 2.398 30 10 JEEE CC[C@H](C)NC(=O)CCn1c(N2CCN(c3nccnc3C#N)C[C@H]2C)nnc1C(C)(C)C 1762056406 GENJHOHWWXRATE-DLBZAZTESA-N 453.595 2.257 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)[C@H](C)N3CCN(S(=O)(=O)c4ccccc4)CC3)cc21 1858630258 OLWGTJLMCYZRBY-SFHVURJKSA-N 469.563 2.176 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)COc2cccnc2NC(=O)NCCCOC)nc1C 1858791907 NAXKXJSDUXMYBU-UHFFFAOYSA-N 463.516 2.365 30 10 JEEE N#Cc1ccccc1NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)CC[C@H]1CCS(=O)(=O)C1 1866921460 BWSJTHRAKNWMOJ-LAUBAEHRSA-N 455.536 2.145 30 10 JEEE C=CCN(CC=C)C(=O)[C@@H](NC(=O)CCS(=O)(=O)c1ccc(OC)c(OC)c1)C(C)C 1868739643 YMVGXBVEOUTCLV-NRFANRHFSA-N 452.573 2.209 30 10 JEEE CC(=O)NCc1nnc(SCC(=O)N[C@@H](C)c2ccccc2)n1/N=C/c1ccc(O)c(O)c1 1874436066 KJLMFDJYJONACY-ZFVWIKOCSA-N 468.539 2.177 30 10 JEEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)c3cn(C)nc3C(F)(F)F)CC2)CC1 1889325951 FGTMRRWVZVGUCY-UHFFFAOYSA-N 455.525 2.090 30 10 JEEE CN1CCN(CC#CCOC2CCN(C(=O)c3ccc(OC(F)(F)F)c([N+](=O)[O-])c3)CC2)CC1 1890352099 WWKQDKAFODJHPO-UHFFFAOYSA-N 484.475 2.365 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2OC)C1 2255153921 PKVLUIIYOLGSSP-IHSWXRNOSA-N 451.564 2.434 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](O)CN1C(=O)c1ccsc1B1OC(C)(C)C(C)(C)O1 2255640592 LSESVVCTLGSNNA-KBPBESRZSA-N 452.382 2.147 30 10 JEEE Cn1nc(C(=O)N[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2255647985 GXAYHUWJMSAELE-HAQNSBGRSA-N 454.764 2.158 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@H]1CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2255832262 JQQZPMVHKGEUGB-OAHLLOKOSA-N 452.382 2.413 30 10 JEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1O 2267126850 DVYPFHOEHKKZOH-CVEARBPZSA-N 466.409 2.456 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CC[C@H]1NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2267354887 XFQKBHVRXQHEGI-JKSUJKDBSA-N 470.372 2.459 30 10 JEEE C=C(CS(=O)(=O)N[C@H]1[C@H]2OCCC[C@H]2[C@H]1NC(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2267463910 DLDIPEXFTZDVMS-HZMVEIRTSA-N 472.413 2.164 30 10 JEEE CCc1nn(C)c(C(=O)N(C)[C@H](C)CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267506652 BICGUMITNAUADD-CQSZACIVSA-N 450.389 2.267 30 10 JEEE CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H]2C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2268648272 XKVUKZFARBNVCQ-ZDUSSCGKSA-N 464.397 2.235 30 10 JEEE CC(C)(C)OC(=O)NC[C@H](CO)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1F 2268718068 WDHRBPRWWXPMAZ-GFCCVEGCSA-N 456.295 2.336 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1COCCN(C(=O)c2ccc(F)cc2B2OC(C)(C)C(C)(C)O2)C1 2281786250 DSVAQKYPKVOSSM-MRXNPFEDSA-N 464.343 2.491 30 10 JEEE Cn1cc(C(=O)N2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)c(B2OC(C)(C)C(C)(C)O2)n1 2281975734 QYLZBHXOWHAAOK-HZPDHXFCSA-N 460.384 2.048 30 10 JEEE CC(C)(C)OC(=O)N1CC(c2n[nH]c(NC(=O)c3sncc3B3OC(C)(C)C(C)(C)O3)n2)C1 2282014775 SJFUFGURDNKROO-UHFFFAOYSA-N 476.368 2.147 30 10 JEEE Cn1cc(C(=O)N2CCC23CC(CNC(=O)OC(C)(C)C)C3)nc1B1OC(C)(C)C(C)(C)O1 2282039505 WGQFIKIEGJGASJ-UHFFFAOYSA-N 460.384 2.239 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1[C@H]2CC[C@H]1CN(C(=O)OC(C)(C)C)C2 2282054148 MQEXJQAHTCDVIU-GJZGRUSLSA-N 460.384 2.095 30 10 JEEE Cc1cc(C(=O)NC2(CCO)CN(C(=O)OC(C)(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2282111801 VLIZZKNFHDKOKX-UHFFFAOYSA-N 460.380 2.396 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1C[C@@H](NC(=O)OC(C)(C)C)C[C@@H](O)C1 2282120494 HWEGFKAKXBFXKJ-ZWKOTPCHSA-N 460.380 2.394 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1N(C(=O)OC(C)(C)C)CCC1(C)C 2282483672 BCHDKCOBSNTEEI-INIZCTEOSA-N 462.400 2.485 30 10 JEEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CCNC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282554369 CNDZDBNHIFYNFW-HZPDHXFCSA-N 462.400 2.342 30 10 JEEE Cc1nn(C)c(C(=O)N2CCCN(C(=O)OC(C)(C)C)[C@H](C)C2)c1B1OC(C)(C)C(C)(C)O1 2282568829 IURPAHAOQHGDRB-OAHLLOKOSA-N 462.400 2.499 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(C(=O)N2C[C@@H](O)C[C@H](NC(=O)OC(C)(C)C)C2)c1 2282681109 UYKXNMLNKNTKNV-OALUTQOASA-N 460.380 2.394 30 10 JEEE CC(C)(C)OC(=O)N1CC(C2(NS(=O)(=O)c3cncc(B4OC(C)(C)C(C)(C)O4)c3)CC2)C1 2282829154 AIKBHVSERNSVFM-UHFFFAOYSA-N 479.408 2.059 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC1(C)CN(C(=O)OC(C)(C)C)C1 2282869335 AWZPHNKZMHEGMX-UHFFFAOYSA-N 482.408 2.282 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@]2(NC(=O)c3nccnc3B3OC(C)(C)C(C)(C)O3)CCC[C@H]12 2283057879 ABXUKDIYEDARIG-WNSKOXEYSA-N 458.368 2.438 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@]2(C(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)C1 2283959316 KXFRBSFTAJLBMF-NPMXOYFQSA-N 459.352 2.345 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](CC(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)OCC1(C)C 2284144985 DVIGOVRSAZLYII-ZDUSSCGKSA-N 482.412 2.002 30 10 JEEE CC(C)(C)OC(=O)NC[C@@]12C[C@H]1CN(S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1)C2 2288266525 LJJLCQHOXIUGAL-LHSJRXKWSA-N 499.464 2.119 30 10 JEEE C=CCNC(=O)[C@H](Cc1ccc(OC(C)=O)cc1)NC(=O)C=Cc1ccc(C(=O)OC)cc1 2325816527 SYEHLCZAMUXTPC-QFIPXVFZSA-N 450.491 2.441 30 10 JEEE CCCOC(=O)CSc1nnc(CNC(C)=O)n1N=Cc1cc(Cl)c(O)c(OC)c1 2330795054 VJXGHAOQFRNFEV-UHFFFAOYSA-N 455.924 2.209 30 10 JEEE COc1nc(O[C@@H]2CCOC[C@H]2NC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2339822871 FSUCLGNIEJJLJE-HZPDHXFCSA-N 450.341 2.450 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N=[S@](C)(=O)C[C@@H](C)NC(=O)OC(C)(C)C)n1C 2362324381 RFVIXGFAGMXXDU-AADXJYSNSA-N 484.428 2.179 30 10 JEEE COc1nc(N2CC[C@H](NC(=O)OC(C)(C)C)[C@H](CO)C2)ccc1B1OC(C)(C)C(C)(C)O1 2365344689 QWHZOWGUUOZISK-RDJZCZTQSA-N 463.384 2.101 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCN(S(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1(C)C 2380428706 UHPVFKJKCOWXAJ-KRWDZBQOSA-N 481.424 2.447 30 10 JEEE COc1cccc(C(=O)CSc2nnc(N/N=C/c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2N)c1 253577925 XRDGKLQAGOXDGR-AWQFTUOYSA-N 472.443 2.238 30 10 JEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CC(C)(C)O3)c(=O)n1Cc1ccccc1 519213985 CDZKRVDSLFYKPR-UHFFFAOYSA-N 471.582 2.477 30 10 JEEE C=CCNC(=O)CN1CCN(C(=O)[C@H]2CCCN(C(=O)c3ccc(OC)c4ccccc34)C2)CC1 680516406 CJERQCZIRDPICV-FQEVSTJZSA-N 478.593 2.147 30 10 JEEE C[C@H](NS(=O)(=O)CCN1C(=O)c2ccccc2C1=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 704368984 MTFTUJNQNUVYAU-INIZCTEOSA-N 484.383 2.262 30 10 JEEE C=CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2cc(C)n(-c3ccccc3)c2C)c1=O 916193930 ALQSCEMAPHHSJP-UHFFFAOYSA-N 476.602 2.159 30 10 JEEE COc1ccc(C(C)=NNc2nnc(SCC(=O)Nc3ccc4c(c3)OCCO4)n2N)cc1 1084603437 AJYQMZGAEKKAPE-UHFFFAOYSA-N 469.527 2.339 30 10 JEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCN([C@H]2CCC[C@@H]2O)CC1 1142957551 GMSJXDGKXWHHDQ-IRXDYDNUSA-N 452.349 2.156 30 10 JEEE N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)COc1ccccc1S(N)(=O)=O)CCCC2 1188939895 FRXKAOXGBWLWJF-HNNXBMFYSA-N 458.540 2.082 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2Cc2ccnc(OC(F)F)c2)c1 1286309987 QWWLBKBTPZUCAY-GOSISDBHSA-N 495.490 2.330 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H](C(C)C)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1286386869 ITKLZOZDURBGPT-FPOVZHCZSA-N 458.632 2.031 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H](C)Oc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1286396646 WSFLSELQZZBGOD-TZIWHRDSSA-N 465.579 2.358 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(NC(=O)C2CCC2)c1 1286432160 ZJTFNLZSEJNTJF-NRFANRHFSA-N 479.606 2.430 30 10 JEEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1286607801 KDMCZEAOSUBDDH-SFHVURJKSA-N 479.578 2.025 30 10 JEEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(=O)Cc2cccc(F)c2)CC1 1286619417 AKEMCEMFCNKYKC-INIZCTEOSA-N 499.012 2.061 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ncccc2C#N)CC1 1286668394 QPZXCKQHEKUOTP-QGZVFWFLSA-N 472.619 2.084 30 10 JEEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCc2sccc2C1 1286710812 DHRLTAWGCNPJIL-SFHVURJKSA-N 481.644 2.218 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1C[C@H](CC)O[C@H](C)C1 1286817966 ZTUIEBPTXZUXAP-AEFFLSMTSA-N 462.572 2.321 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2OC)nnc1N1CCSC[C@H]1C 1286822816 HUDUHPGVSRZDSG-MRXNPFEDSA-N 452.602 2.408 30 10 JEEE CC(C)Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCC(=O)NC(C)(C)C 1287474475 AIMGOHNOTOOMJX-KRWDZBQOSA-N 453.595 2.158 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@](C)(O)[C@@H](C)CC)c1 1300330910 FAIZTZSAXILLNB-XDHUDOTRSA-N 454.575 2.270 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC1CCC(OC)CC1)[C@@H]1CCS(=O)(=O)C1 1300491533 IDIAYWIIAQKWCQ-IOJLRTSASA-N 457.600 2.480 30 10 JEEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1CC(CC)(CC)OC)[C@@H]1CCS(=O)(=O)C1 1300501651 MPQJCNGNPBUPKW-HXUWFJFHSA-N 484.626 2.349 30 10 JEEE C#CCN(c1nnc(COCC)n1Cc1ccccc1Br)[C@H]1CCS(=O)(=O)C1 1300504966 WSHLIGFTKFWDNM-INIZCTEOSA-N 467.389 2.252 30 10 JEEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1c(CC)nn(C)c1OC 1300579604 XNAQJXKKVSXIAP-UHFFFAOYSA-N 487.612 2.268 30 10 JEEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1(OC)CCCC1 1300664120 OHUVWVXXOLANHC-UHFFFAOYSA-N 460.604 2.283 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@@H]2COCCO2)CC1 1300689318 UIGOOHRJMOYYSE-MRXNPFEDSA-N 464.339 2.017 30 10 JEEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC2(CC1)CNC(=O)C2 1300745789 LMQJXSMKNFAOKT-UHFFFAOYSA-N 455.584 2.435 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1CC(=O)N(CCOC)C1 1300778887 IOVLPQDILRMCDC-KBMIEXCESA-N 499.015 2.349 30 10 JEEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1301207297 SSIXPUOESVRMHB-GOSISDBHSA-N 495.671 2.423 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1301483714 VCJQRLJZKHUOJQ-HUUCEWRRSA-N 462.304 2.124 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@@H](C(=O)NC)C1 1301576255 BVLUJNUVBUDCOO-MRXNPFEDSA-N 451.980 2.162 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc2ccccc2s1 1301967351 BYVCATJJAVRHCL-QAPCUYQASA-N 474.612 2.470 30 10 JEEE C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCNS(C)(=O)=O)CC12CCC2 1305097922 CFINDUJLFKOSQR-QGZVFWFLSA-N 458.588 2.294 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCC[C@H]2C)c1 1358901406 JPBPITDKUDXMHZ-AOIWGVFYSA-N 472.615 2.381 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccc(OC2CCCC2)cc1)[C@H]1CCS(=O)(=O)C1 1358955281 JCXXVFITIPPSNR-FQEVSTJZSA-N 499.637 2.413 30 10 JEEE C#CCN(c1nnc(-c2ccccc2)n1CC1(SC)CCN(C)CC1)[C@H]1CCS(=O)(=O)C1 1358959444 JBWCJTONALOJJV-FQEVSTJZSA-N 473.668 2.399 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1CCCN1CCCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1358961210 UJCNFQDTHNOTGW-PMACEKPBSA-N 458.632 2.175 30 10 JEEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1CCc1cccnc1)[C@H]1CCS(=O)(=O)C1 1358967109 DNZQWORRLDAOSS-FQEVSTJZSA-N 481.578 2.130 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OC)c(Br)c1 1358984985 MGEVMURLFJNKTR-HNNXBMFYSA-N 494.415 2.171 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2[C@H]2C[C@H](c3ccccc3C)C2)CC1 1359030548 YHNWXVYIMAIWBN-VAMGGRTRSA-N 456.616 2.071 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N1CCN(C[C@@H](O)COc2ccccc2)CC1 1359083331 HVMNTACMBWANML-RTBURBONSA-N 492.418 2.253 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCCN(c2cc(OC)cc(OC)c2)CC1 1359306742 PIPGCNSQAIGXBE-OAQYLSRUSA-N 470.574 2.166 30 10 JEEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(CN3CCN(C(C)=O)CC3)cc2)cc1 1466449315 JGIOHKDNHSRBQN-UHFFFAOYSA-N 456.568 2.067 30 10 JEEE CN(CC(C)(C)CN1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(C(N)=O)nc1 1503449830 AQUNZNSKISDEFS-UHFFFAOYSA-N 488.596 2.154 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@@](C)(O)[C@@H](C)CC)c1 1507548486 SPBQTWVZSZINDT-AVRWGWEMSA-N 466.586 2.367 30 10 JEEE C#CCN(c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H](OC)[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1507634883 QTRMHIFNULFDOR-UBBRYJJRSA-N 488.610 2.478 30 10 JEEE C#CCN(c1nnc(COCC)n1Cc1ccccc1-n1nc(C)cc1C)[C@@H]1CCS(=O)(=O)C1 1507639116 VWNAKYWAGGNFNJ-OAQYLSRUSA-N 482.610 2.292 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H](C)CN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1507640643 VBOYEJKGOZVVAO-RBBKRZOGSA-N 496.637 2.087 30 10 JEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCN1C[C@H](C)O[C@H](C)C1 1507641248 AYSOLBVYSCFRQD-BGYRXZFFSA-N 497.669 2.119 30 10 JEEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCO[C@H]1C(=C)C 1507709953 GUJJBBUZHPJKCT-QUCCMNQESA-N 472.615 2.305 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2CCN(CC)C2CC2)CC1 1507718602 RFQHWKSRGWHAHB-UHFFFAOYSA-N 460.424 2.286 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1507735573 YQGLIPDFJNNULG-KRWDZBQOSA-N 490.029 2.389 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccccc2OCCOC)CC1 1507739681 UALNBLUIQJQXQR-QFIPXVFZSA-N 481.597 2.211 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1507805886 LLIZRUNJORKLFK-CDXJDZJCSA-N 472.615 2.308 30 10 JEEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1507910362 OWMVICZCLMZQGK-UHFFFAOYSA-N 458.607 2.192 30 10 JEEE C=CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1507943493 ZCFQTBPYUBZQNZ-UHFFFAOYSA-N 454.623 2.240 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1508076047 ZIHYKMMOTLZYGJ-DEOSSOPVSA-N 471.558 2.039 30 10 JEEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CC[C@@H](CN(CC)CC(F)(F)F)C1 1508086270 KKJGCSRCKQOFHM-HNNXBMFYSA-N 497.522 2.019 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1508090089 HHPXBQPLRSWDQR-QAPCUYQASA-N 480.491 2.166 30 10 JEEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N(C)Cc1ccc(F)c(C(F)(F)F)c1 1508095114 LMIYAVDEHJHNLX-UHFFFAOYSA-N 468.455 2.497 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)cc1 1508097772 UNTGXVZTAPTUEU-GOSISDBHSA-N 482.566 2.162 30 10 JEEE Cc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CC[C@](F)(C#N)C2)c(O[C@@H]2CCOC2)c1 1510860981 FUPRHWVGJKEGKX-JPYJTQIMSA-N 456.522 2.383 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccc(C)n3)n2CCCS(C)(=O)=O)c1 1539040402 SOFCRFPOXVVYLC-UHFFFAOYSA-N 466.567 2.139 30 10 JEEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC(=O)NCc1ccco1 1539171162 HJGCNWXNXVAYIU-UHFFFAOYSA-N 459.510 2.044 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1[C@@H]1C[C@H]1C(C)C)[C@H]1CCS(=O)(=O)C1 1539205688 JGJOJDJCCZJVNJ-VWNVYAMZSA-N 450.605 2.162 30 10 JEEE C#CCN(c1nnc(CN2CCCC2=O)n1CC(C)(C)c1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1539231430 VSXLUMFCTFGNKL-GOSISDBHSA-N 487.601 2.144 30 10 JEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(-c2n[nH]c(C)n2)cc1 1539273042 HYLODHDKYOOCRG-UHFFFAOYSA-N 470.562 2.484 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)N2CCCC2)n1CCS(=O)(=O)CC1CC1 1539384489 JDBNSZUXDAHSOH-UHFFFAOYSA-N 473.574 2.118 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCCSC)CC1 1539480668 DGDIOMOEANMVAB-UHFFFAOYSA-N 482.658 2.171 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCc2oncc2C1 1540897657 OPPBGBJHVKIHPM-UHFFFAOYSA-N 470.555 2.299 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2cccc(F)c2[C@H]1C 1540903663 GQNSWLLOGRUTAQ-NVXWUHKLSA-N 482.603 2.044 30 10 JEEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(c2nnc3n2CCCC3)CC1 1540910145 ZAEVKZTUFVRWDM-INIZCTEOSA-N 494.691 2.119 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1ccccc1CN1CC[C@H](O)C1 1541664544 HVKGIAWCBPOLKG-OFVILXPXSA-N 465.602 2.161 30 10 JEEE C#CCNC(=O)CN1CCN(C(=O)c2cc(Br)c(C)cc2Br)CC1 1556504044 IUHTZCZALYHPMV-UHFFFAOYSA-N 457.166 2.027 30 10 JEEE C=CC1(CC(=O)N2CCNC(=O)[C@@H]2c2c(C)nc3ccccn23)CN(C(=O)OC(C)(C)C)C1 1567673356 VWKDSJBLAGAMBI-FQEVSTJZSA-N 453.543 2.455 30 10 JEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](CCO)c2cccc(OC(F)(F)F)c2)c1 1570663974 WLHBWGBJROBNFC-SFHVURJKSA-N 456.442 2.350 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1C[C@H](COC)OC)[C@@H]1CCS(=O)(=O)C1 1588040930 SCSTYUVYQIZFGY-HZPDHXFCSA-N 470.954 2.026 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CCN1CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1588069009 FCZBWPAVXCKESR-RTWAWAEBSA-N 471.627 2.277 30 10 JEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](OC)c2ccc(F)cc2)CC1 1588864602 HMHNUVUEEHHKEA-JOCHJYFZSA-N 451.550 2.422 30 10 JEEE C=CCCOCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](C)O[C@@H](COC)C1 1594813215 QOYHDZOQZPYFND-ZCNNSNEGSA-N 495.621 2.419 30 10 JEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)Oc1ccc(F)cc1)C1CC1 1595055053 YBKSPHJFBPBYKR-OXJNMPFZSA-N 479.578 2.372 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCN(C(=O)c2ccccn2)CC1 1595577131 JQNZRTBNRAGYHT-UHFFFAOYSA-N 489.580 2.134 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1595593396 COLKBYGZGNTIMB-IBGZPJMESA-N 451.600 2.358 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N(CC)Cc1cnn(C)c1 1595776989 GVKMPWJAVLBQIP-UHFFFAOYSA-N 458.544 2.035 30 10 JEEE CCOC(=O)[C@@H]1C[C@@H]2/C(=N\NC(N)=S)CCCC[C@@H]2N1S(=O)(=O)c1ccc(C)cc1 1614222306 RHOODRQSFWQUPU-IMWWAGGUSA-N 452.602 2.069 30 10 JEEE COCCN1C(=O)c2ccc(C(=O)N3CCC[C@H]3[C@H](C#N)c3ccccc3)cc2S1(=O)=O 1618313108 GJRFYTBLELPNJM-UXHICEINSA-N 453.520 2.389 30 10 JEEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N2C[C@@H](O)C[C@H]2CO)c1 1634303710 PJBQKZYEUWVUGZ-OALUTQOASA-N 450.944 2.289 30 10 JEEE C#C[C@H](NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)c1ccccc1 1639902339 FQRUOCXKCVAAJO-QFIPXVFZSA-N 453.564 2.099 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H]1CCCN1CC)[C@@H]1CCS(=O)(=O)C1 1689983500 CJBSQVASRBLVMK-WOJBJXKFSA-N 487.626 2.073 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1Cc1ccc(-c2n[nH]c(C)n2)cc1)[C@H]1CCS(=O)(=O)C1 1689993139 WMHNYACACCOFLC-FQEVSTJZSA-N 467.599 2.245 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCC1(O)CCOCC1 1690030379 SVJQLPKGEHIXIA-KDURUIRLSA-N 457.575 2.053 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCS(=O)(=O)N(C)C 1690037361 VHGKKGLXZSSOST-KRWDZBQOSA-N 459.641 2.486 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2C[C@]2(N(C)C)CCSC2)CC1 1690139287 GLGRFLHCVLSYPA-HSZRJFAPSA-N 456.616 2.250 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCCN(C)Cc2ccccc2)CC1 1690142411 NKMDMAIFMHHHNQ-UHFFFAOYSA-N 474.613 2.167 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](NC(=O)CC)C1 1690236041 HQWNTBAGCOQYTR-LQWHRVPQSA-N 467.574 2.402 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CC[C@H](COCC)C1 1690668972 PBWNGRBEYKEFKP-SFHVURJKSA-N 479.585 2.401 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(c2nccnc2C)CC1 1690675406 ZOTCOMGUCQULTM-UHFFFAOYSA-N 476.585 2.201 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(O)(C(F)(F)F)CC1 1690718053 ZMKHUAVMGVXZNJ-UHFFFAOYSA-N 489.476 2.348 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C2CCOCC2)CC1 1690725154 HMLOXPISZBMWDN-UHFFFAOYSA-N 495.596 2.049 30 10 JEEE C=CCSCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCN(C(=O)OC)CC1 1690749755 OJPSVJDJXJHTBO-UHFFFAOYSA-N 499.685 2.450 30 10 JEEE N#C[C@@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(OCC(F)(F)F)nc2)C1 1698483526 DWMKXUHEUWSBHK-KSSFIOAISA-N 488.467 2.007 30 10 JEEE N#Cc1cccc(-c2nnc(N3CC[C@@H](C(N)=O)C3)n2Cc2cccnc2OCC(F)F)c1 1698486068 GLHRAXBGDRLDNE-MRXNPFEDSA-N 453.453 2.216 30 10 JEEE C#CCCCCn1c(-c2cccnc2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1705513960 FIVVKAHJJKNMTJ-QHCPKHFHSA-N 451.619 2.375 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1CCCNC(=O)c1occc1C)[C@@H]1CCS(=O)(=O)C1 1705561571 UYEXFVJATVISBY-SJLPKXTDSA-N 461.588 2.140 30 10 JEEE C#CCN(c1nnc(C2CCC2)n1CCc1c(OC)cc(OC)cc1OC)[C@H]1CCS(=O)(=O)C1 1705564351 BTUAYVJTNMOJRO-SFHVURJKSA-N 488.610 2.441 30 10 JEEE C#CCN(c1nnc(COc2cc(C)ccc2C(C)C)n1CC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1705568524 PIAYPNDDEPFMRS-LJQANCHMSA-N 487.626 2.004 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H](C)CN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1705569630 IUISXTXXMQLVHN-UNMCSNQZSA-N 470.643 2.013 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1Cc1ccc(Cl)nc1)[C@@H]1CCS(=O)(=O)C1 1705571062 WJOUKXWAMNNYFZ-QGZVFWFLSA-N 477.015 2.357 30 10 JEEE C=C(C)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1705725032 GJLCKJKWUQVNCK-ZWKOTPCHSA-N 487.605 2.441 30 10 JEEE C=C(Cl)Cn1c(N2CCC[C@H](CN(C)S(C)(=O)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1705760721 QISJRYSPQSGTFT-YLJYHZDGSA-N 476.043 2.179 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC(NC(=O)CCC)CC1 1705901019 XWDNXHDLAQTDCS-UHFFFAOYSA-N 476.585 2.318 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1705932427 DGSJPPMMUKFRBE-SJORKVTESA-N 454.618 2.112 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(C(=O)NC)CC1 1705933441 HLJHVQNQXXXNIC-UHFFFAOYSA-N 469.970 2.301 30 10 JEEE CNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 1711397222 HOBLJKSEBUBDQB-KRWDZBQOSA-N 453.547 2.304 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H](c1ccc(C)cc1)N1CCOCC1 1722274667 VSGOCNUARPCQBW-UNMCSNQZSA-N 450.587 2.354 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1722362708 VWDNUAGBOIYJEK-SBHAEUEKSA-N 487.674 2.062 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1722366064 QRFVGIOKHNBMAO-VQTJNVASSA-N 487.626 2.140 30 10 JEEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2)n1CCS(=O)(=O)N1CCSCC1 1722404155 SDBYDSNGBJQTSI-UHFFFAOYSA-N 454.021 2.437 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccccc2OCC(C)C)CC1 1722447918 PPTNYDUCOWPBDA-NRFANRHFSA-N 478.597 2.278 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C)CC1 1722505553 BTFULXVEVXNIIM-YRPNKDGESA-N 467.636 2.219 30 10 JEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 1722527339 GRDASJULQKPZAE-QZTJIDSGSA-N 462.595 2.456 30 10 JEEE C=C(C)COCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(C2CC2)C(=O)C1 1722528347 ZIRRZWVMTMJNNH-UHFFFAOYSA-N 472.977 2.265 30 10 JEEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CCOC)Cc1ccc2c(c1)OCO2 1722554785 HQHZCBHPADQLNL-INIZCTEOSA-N 468.963 2.314 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@]2(O)CCN(C)C2)C1 1722722959 SYTFDNDJUXRFAN-JXQFQVJHSA-N 476.622 2.198 30 10 JEEE Cc1nn(C)c(C)c1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1725817122 BEFSWNVGYGUOGC-FQEVSTJZSA-N 483.598 2.141 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC[C@H](C(F)F)N1CCOCC1 1740633223 AEGWNUUHHZIYNZ-LJQANCHMSA-N 458.469 2.282 30 10 JEEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC1(CS(C)(=O)=O)CC1 1740639027 RNSMVZGEOCCYLE-UHFFFAOYSA-N 489.642 2.290 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CC[C@@H]2CCO[C@@H](C)C2)CC1 1740706889 HIJMOXRIMFVTOG-PZJWPPBQSA-N 450.587 2.435 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)N1CCC[C@@H](C)C1 1740731419 BCLJLLSPRNAJCT-JXALWOEJSA-N 492.690 2.114 30 10 JEEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(c2ncc(F)cn2)CC1 1740782453 DLPFEQIDNWUTQI-SFHVURJKSA-N 488.568 2.418 30 10 JEEE C=C(Cl)Cn1c(-c2cnccn2)nnc1N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 1740808950 DEFZQVBFPKOHAO-UHFFFAOYSA-N 456.913 2.387 30 10 JEEE C=C(Cl)Cn1c(N2CC[C@H](N3CCN(CC)CC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1740817206 WUQRSDGZISGPDY-SIKLNZKXSA-N 453.031 2.287 30 10 JEEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1740843255 CJLPWPPZQIZJFM-SFHVURJKSA-N 467.574 2.355 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(-n2ccnc2)c(F)c1 1740941837 UODRJKGCBZYWIE-GOSISDBHSA-N 474.562 2.192 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Br)cc2)nnc1N1CCN(CC)[C@H](C)C1 1740963728 VPUBFQTWRQIYFE-MRXNPFEDSA-N 477.407 2.452 30 10 JEEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(-c2ccc(C#N)cc2)n1CCNC(=O)C(C)(C)C 1743231438 CXPRUJVRRQETFG-GOSISDBHSA-N 498.595 2.356 30 10 JEEE CCS(=O)(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOc2ncccc2F)CC1 1747435269 DZANNCWJOUSTNK-UHFFFAOYSA-N 499.572 2.338 30 10 JEEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cccs2)CC1 1747442363 CIVHDIVPLMXSNY-UHFFFAOYSA-N 471.612 2.144 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@](C)(O)c1cccs1)[C@@H]1CCS(=O)(=O)C1 1748820048 YDCJBYHGSZDIQR-UTKZUKDTSA-N 491.664 2.230 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2Cc2cccnc2OCC(F)F)CC1 1749010886 RQVLAZXFZBNPER-UHFFFAOYSA-N 483.523 2.337 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1cccc(C)c1)N1CCOCC1 1749488939 PGWWREKYAQPGTG-NHCUHLMSSA-N 459.616 2.184 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 1749656058 YZQAMXBJXYIJFE-QRWLVFNGSA-N 471.558 2.277 30 10 JEEE COCCN(CCC#N)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1CCCOC1 1749829948 BNFVRTRMSHXIAE-LJQANCHMSA-N 454.579 2.245 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2C[C@@H]2CCOC[C@@H]2OC)c1 1760127902 QCQGLHYZJPDHSL-TYPHKJRUSA-N 453.543 2.237 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@H](C)N2CCC(C)CC2)c1 1760128761 RKXCKHLMWFHKBE-SIKLNZKXSA-N 477.613 2.406 30 10 JEEE C#CCCCCn1c(Cc2cccnc2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1760140193 FGJASVGQMSSHPK-XUZZJYLKSA-N 463.630 2.446 30 10 JEEE C#CCN(c1nnc(-c2ccc3ccccc3n2)n1C[C@H](C)COC)[C@H]1CCS(=O)(=O)C1 1760183966 FROJWWQMHDGFAI-HKUYNNGSSA-N 453.568 2.403 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H](C2CCCCC2)N(C)C)CC1 1760257389 VMEJYLTYLFIWKA-WIOPSUGQSA-N 458.651 2.196 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCSC(F)(F)F)CC1 1760271190 OXGGJXLZEGKJDT-UHFFFAOYSA-N 469.537 2.359 30 10 JEEE C=C(Cl)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCO[C@H](COC)C1 1760367319 HBFMBAQMLRINJH-HNNXBMFYSA-N 454.984 2.151 30 10 JEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](CC)Oc1ccccc1F 1760465155 XYSRWWLTNXEYDO-VQIMIIECSA-N 467.567 2.230 30 10 JEEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1760514065 QBBPLLBGXLTPCO-SFHVURJKSA-N 482.589 2.357 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1760518488 WAVOZKQCWQEVPM-UHFFFAOYSA-N 488.036 2.281 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCC(S(=O)(=O)CC)CC1 1760531881 CWQZXZDLLFIVIA-UHFFFAOYSA-N 475.615 2.433 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC(CC(N)=O)CC1 1760551198 WWTYROAAFKJWHW-UHFFFAOYSA-N 482.610 2.494 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1C[C@H](C)[C@@H](C)C1 1760553302 AGYSMZPLFGOCHP-IRXDYDNUSA-N 470.599 2.368 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccc(C)c(C)c2)CC1 1760555734 LUCWKBHXYLAVFU-HXUWFJFHSA-N 459.616 2.326 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccc(C(N)=O)cc1 1772659966 JMNJWCDOSJWPQU-UHFFFAOYSA-N 474.974 2.330 30 10 JEEE COC(CN(CC(=O)NCCc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1C#N)OC 1858001788 MSFPNQSPTFFMIN-UHFFFAOYSA-N 465.959 2.180 30 10 JEEE C=CCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)c1ccc(Cl)cc1Cl 1861496128 LNYGOPPWTFZOKL-SFHVURJKSA-N 450.322 2.459 30 10 JEEE COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2C[C@H](C)O)cc1OC 1862610217 FVWCGEMCSCKYGM-ZSEKCTLFSA-N 455.463 2.434 30 10 JEEE CC[C@H](NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1)C(=O)N1CCC2(CC1)OCCO2 1868796871 YFJQVYQIFLGBJP-OALUTQOASA-N 460.600 2.285 30 10 JEEE C=CCN(CC=C)c1nc(NC(=O)Cc2ccc(OCC)cc2)n([C@@H]2CCS(=O)(=O)C2)n1 1870004980 SCCWWRMJYLOJNW-GOSISDBHSA-N 459.572 2.396 30 10 JEEE N#Cc1nnn(-c2ccc(F)cc2)c1NC(=O)CCCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 1870155574 UHNHIIZHADBKHT-UHFFFAOYSA-N 463.385 2.201 30 10 JEEE COc1ccc(CC(=O)N2CCC(OCC#CCN3CCN(C(C)C)CC3)CC2)cc1OC 1890335930 NEWHKBMUYRJAKG-UHFFFAOYSA-N 457.615 2.283 30 10 JEEE CN(C)CC#CCNC(=O)c1ccc(CNS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1 1890530961 SXAPIPFDHOCGQL-UHFFFAOYSA-N 453.486 2.479 30 10 JEEE C=CCN(CC(=C)Br)S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 2249447831 YKQRCDKGTSEZBS-HNNXBMFYSA-N 461.334 2.092 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1COC[C@@H]1NC(=O)c1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2266974126 NYXUEAPDIHQTOY-IRXDYDNUSA-N 450.316 2.147 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1 2267176782 FHJQRRYNEXRSEQ-LJQANCHMSA-N 482.390 2.498 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@H](NS(=O)(=O)Cc2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2267463952 DRTZHTYLJUGBRF-QAQDUYKDSA-N 466.409 2.461 30 10 JEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1CO 2267520070 JZTKHWRQSISOHJ-OAHLLOKOSA-N 466.409 2.410 30 10 JEEE CC(C)(C)OC(=O)NC1CC(O)(CNC(=O)c2c(F)cccc2B2OC(C)(C)C(C)(C)O2)C1 2281787313 LNGPINVVODDKFZ-UHFFFAOYSA-N 464.343 2.273 30 10 JEEE Cn1cc(C(=O)N2C[C@@H]3CN(Cc4ccccc4)CC[C@H]3C2)c(B2OC(C)(C)C(C)(C)O2)n1 2281972894 OQTWGGKCXGOLKF-PMACEKPBSA-N 450.392 2.313 30 10 JEEE Cc1nn(C)c(C(=O)NC[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2281990099 IXXDANMXHYOOGT-CVEARBPZSA-N 462.400 2.451 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@]23CC[C@H]2CN(C(=O)OC(C)(C)C)C3)n1 2281992438 NSQYGULKNHQLQN-WNSKOXEYSA-N 460.384 2.332 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2Cl)C[C@@H](O)C1 2281997205 YNOYHVIUVVVZHB-OAHLLOKOSA-N 481.786 2.088 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2(C)C)n1 2282039126 QNCYLXQPHQDKJO-GDBMZVCRSA-N 462.400 2.389 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CC[S@](=O)(=NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2282039292 SRCBIJXKVLBYKS-LHRCYKKBSA-N 483.371 2.425 30 10 JEEE C[C@@H]1CCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)[C@H](C)[C@@H]1NC(=O)C(F)(F)F 2282178329 FIGXZERUKCCEHK-XJKCOSOUSA-N 455.286 2.298 30 10 JEEE CC1(C)OB(c2csc(S(=O)(=O)NCC3(O)CCN(Cc4ccccc4)CC3)c2)OC1(C)C 2282333348 NHUPNJMBPCICAB-UHFFFAOYSA-N 492.472 2.353 30 10 JEEE C[C@@H]1C[C@@H](NS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CN(C(=O)OC(C)(C)C)C1 2282348121 HPZNBUMTPMOPPN-NVXWUHKLSA-N 481.424 2.305 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC[C@H]1CNC(=O)OC(C)(C)C 2282488809 DSZMEAGCRQVUHD-INIZCTEOSA-N 482.408 2.282 30 10 JEEE CC(C)(C)OC(=O)NC1[C@H]2C[C@H]1CN(S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1)C2 2282500762 NIMYHAYFPUQBSU-KBPBESRZSA-N 499.464 2.117 30 10 JEEE Cn1nc(C(=O)N2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2282554060 XXOIHQSPKKUHJY-KGLIPLIRSA-N 480.802 2.454 30 10 JEEE Cn1ncc(C(=O)N2C[C@H]3CCN(Cc4ccccc4)C[C@H]3C2)c1B1OC(C)(C)C(C)(C)O1 2282558818 LKIAMTZSUOPIOQ-UXHICEINSA-N 450.392 2.313 30 10 JEEE CC1(C)OB(c2c[nH]c(C(=O)N3CC[C@H]4OCCN(Cc5ccccc5)[C@H]4C3)c2)OC1(C)C 2282622762 KRYVBKKWLZKRNR-FCHUYYIVSA-N 451.376 2.429 30 10 JEEE CO[C@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)[C@](C)(CNC(=O)OC(C)(C)C)C1 2282645568 JWWJOVHCJWRBIM-MWTRTKDXSA-N 463.384 2.458 30 10 JEEE Cc1nc(NC(=O)[C@](C)(NC(=O)C(F)(F)F)C(F)(F)F)ncc1B1OC(C)(C)C(C)(C)O1 2284015690 QUOJGSBZUCWNGY-HNNXBMFYSA-N 470.179 2.022 30 10 JEEE CC(C)(C)OC(=O)NCC1(O)CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(F)cc2Cl)C1 2285923669 JBRGGFDQFTVSEL-UHFFFAOYSA-N 484.761 2.490 30 10 JEEE Cc1nn(C)c(C)c1C(O)=C1C(=O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1cccc(F)c1 2296618204 HNHYBKGYMOGONO-OAQYLSRUSA-N 456.518 2.320 30 10 JEEE COc1cc(OC)c(OC)cc1C=C1Oc2cc(OCC(=O)NCCC(=O)O)ccc2C1=O 2297475415 YONXMCIBVLEGTK-UHFFFAOYSA-N 457.435 2.298 30 10 JEEE CCOc1cc(C=Nn2c(CNC(C)=O)nnc2SC)ccc1OCC(=O)N(CC)CC 2330707318 PJYJGAWOTVPLKQ-UHFFFAOYSA-N 462.576 2.164 30 10 JEEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H](C2)[C@@H]1CC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2334388454 VUVUCIGLIDRATR-RDBSUJKOSA-N 464.397 2.376 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2C[C@@H](NC(=O)c3ncncc3B3OC(C)(C)C(C)(C)O3)C[C@@H]21 2359281199 XNTFVEIZDDTNBB-IVSAIRAKSA-N 458.368 2.197 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](CNC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C2(CC2)C1 2361528102 SNGZUHBFVOPVTM-OAHLLOKOSA-N 458.368 2.153 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H](CNC(=O)OC(C)(C)C)C(F)(F)F 2362456065 MSLWLRRYYGPCQW-GFCCVEGCSA-N 476.305 2.152 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@]2(C[C@H](NC(=O)c3cnsc3B3OC(C)(C)C(C)(C)O3)CO2)C1 2362576834 OCQJDJWIRJSYKY-RCDICMHDSA-N 479.408 2.341 30 10 JEEE CCOC(=O)C#C[C@@]1(O)/C(=N/OC)CCN(S(=O)(=O)c2ccc(C)cc2)c2cc(OC)ccc21 32105768 MORJNEFLDIMIFA-UVDRRRQGSA-N 486.546 2.359 30 10 JEEE CCOC(=O)C1CCN(c2nc3c(c(=O)[nH]2)[C@@H](c2cc(F)cc(F)c2)[C@H](C#N)C(=O)N3)CC1 72444763 JPCAIIXEKCWLGT-HOTGVXAUSA-N 457.437 2.051 30 10 JEEE C=CCN(C(=O)c1ccc(OC)c(S(=O)(=O)N(C)C)c1)c1nc(C(=O)OCC)cs1 409827231 RDRWGYVZNDODTG-UHFFFAOYSA-N 453.542 2.412 30 10 JEEE C=C1C[C@@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@@H]2O)C[C@@H]2CC[C@@H]3[C@H]4CCC(=O)[C@@]4(C)CC[C@H]3[C@@]12C 616590083 NEROJAIFUVJKBJ-HRXNLHNSSA-N 478.582 2.042 30 10 JEEE C#CCN(C(=O)c1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1C)[C@@H]1CCS(=O)(=O)C1 729332460 YJUOKWLHDJSIAG-GOSISDBHSA-N 464.540 2.197 30 10 JEEE COCCn1cc(C=NNc2nc(SCC(=O)N[C@@H]3CCCc4ccccc43)n[nH]2)cn1 1084286609 XEKQWOYAUWPWJO-GOSISDBHSA-N 454.560 2.380 30 10 JEEE N#Cc1ccc(N2CCN(CC(=O)Nc3cccc(S(=O)(=O)N4CCCC4)c3)CC2)cc1 1175444233 HWBDYTZVROBAOY-UHFFFAOYSA-N 453.568 2.103 30 10 JEEE C#CCOc1ccc(CNC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 1273109759 BWLWTMGFHYSBAR-OAQYLSRUSA-N 457.508 2.466 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cnccn2)n1C[C@@H]1C[C@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1286284240 ABXHRSIBEGQHKW-LSTDLKDCSA-N 453.547 2.217 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CCc1sccc1C)[C@@H]1CCS(=O)(=O)C1 1286381221 FQUMVXPPUSWWQB-GCJKJVERSA-N 478.640 2.170 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1c(CC)nn(C)c1CC 1286410299 ZDMXJHIBEKCNFS-UHFFFAOYSA-N 468.565 2.171 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1CCNC(=O)c1ccco1 1286458691 ANUNJHHOAGYOIN-UHFFFAOYSA-N 475.347 2.155 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(OC)cc2)n1C[C@]1(N2CCOCC2)CCSC1 1286463292 LSHUJOJXWWPBRL-XMMPIXPASA-N 471.627 2.248 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCOCC(F)F)CC1 1286489107 FXERHGXJENOICP-UHFFFAOYSA-N 452.893 2.241 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CC[C@@H]2CCO[C@H](C)C2)CC1 1286493385 UVKKDODWOICKOE-NHCUHLMSSA-N 467.618 2.311 30 10 JEEE C#CCSCCn1c(-c2ccc(C)o2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1286499450 RWAVQLMCYABBNJ-IBGZPJMESA-N 456.616 2.346 30 10 JEEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1286688912 UMTKRFDXKKOCGS-FQEVSTJZSA-N 475.663 2.209 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)Nc2ccccn2)n1CCN1CCCS1(=O)=O 1286744814 OQBAPVXSJRSGSG-UHFFFAOYSA-N 499.572 2.293 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccccc2C)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1)C(C)C 1286750519 BUCFYCLNFYASIP-GMAHTHKFSA-N 491.640 2.099 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(C(N)=O)CCCC1 1286766640 UHAKWTLGJSNLFA-KRWDZBQOSA-N 461.588 2.054 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC(Oc3cccc(C#N)c3)CC2)nnc1[C@@]1(OCC)CCOC1 1286792851 KEDGZWCSPMVVBJ-RUZDIDTESA-N 480.569 2.152 30 10 JEEE CCC(CC)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1)N(C)C 1291951509 FZUNKEVSDVFIAJ-QFIPXVFZSA-N 493.660 2.474 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)c1 1300332131 XXBYCQFFAANSRQ-DQRAZIAOSA-N 475.553 2.158 30 10 JEEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1C[C@@H](C)CN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1300481864 CBJFEAITCQBIRY-QPTUXGOLSA-N 499.681 2.415 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCOCC(F)(F)C(F)F)[C@@H]1CCS(=O)(=O)C1 1300489925 WCKXIAKRZYZCHS-QGZVFWFLSA-N 499.490 2.360 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1(C(N)=O)CCOCC1 1300594847 ALCHIYDNGWGISJ-IBGZPJMESA-N 484.601 2.095 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCCN1CCOCC1 1300618903 OTWPYHJYPIYKHN-UHFFFAOYSA-N 463.586 2.247 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCCOC3)n2Cc2cccc(O)c2)n1 1300681587 VAOGAQGZJHFHOT-HXUWFJFHSA-N 450.543 2.409 30 10 JEEE C#CCSCCn1c(-c2ccc(F)cc2Br)nnc1N1CCN(C)C(=O)C1 1300746494 SRINQMGJVFKQTJ-UHFFFAOYSA-N 452.353 2.492 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@@H](C(=O)NC)C1 1300862841 GSMWAYYYKRHILS-RBSFLKMASA-N 456.385 2.057 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1300884474 KSRZBBCCQJIEPJ-JZXOWHBKSA-N 484.523 2.105 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1300885646 RJVOWYUZVKDARC-XCJLJZCSSA-N 479.647 2.047 30 10 JEEE C=C(Cl)Cn1c(Cc2csc(C)n2)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1301047134 BFICAVZMUXCLMJ-MRXNPFEDSA-N 460.025 2.416 30 10 JEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 1301223411 USOYWMHVEHWIJM-QZTJIDSGSA-N 498.650 2.071 30 10 JEEE C=CCCOCCn1c(CNC(=O)c2cccs2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1301258818 BBKVURCQSYFXFI-UHFFFAOYSA-N 479.566 2.397 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](C)N(Cc2ccccc2)CC1 1301478439 KSGDCOPCYFVDLZ-HXUWFJFHSA-N 488.596 2.328 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@H](C(=O)OC)C1 1301501524 YSWXFMAEKMZVJS-ROUUACIJSA-N 490.605 2.084 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(COc3cc(C)ccc3C)n2CCN2CCCS2(=O)=O)C1 1301567111 UFLYGTWRJZRDHP-HXUWFJFHSA-N 475.615 2.291 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1CCCN1CCCCC1=O)[C@@H]1CCS(=O)(=O)C1 1358965240 QQSJGMCFDAGFNE-JOCHJYFZSA-N 483.638 2.207 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCNC(=O)OC(C)(C)C 1358979407 LMIGNFQUULBMRH-GOSISDBHSA-N 488.589 2.184 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cc(C)ccc2C)CC1 1359056857 MTBXCMRLELZCON-FQEVSTJZSA-N 473.668 2.490 30 10 JEEE C#CCSCCn1c(Cc2ccccc2C)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1359058473 FGTCRHULMJCNNG-HXUWFJFHSA-N 466.655 2.333 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1359091492 OCLJTHLXOCFMOE-SFTDATJTSA-N 472.634 2.323 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1359092190 YBNLXTLWKAIMHK-TZIWHRDSSA-N 496.616 2.490 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)CCS(C)(=O)=O 1359094745 FILYOBSPKSLZPO-FXAWDEMLSA-N 462.572 2.178 30 10 JEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](c2ccc(F)cc2)N(C)C)CC1 1359159528 YCNXEJHBQMTBNJ-VQIMIIECSA-N 450.584 2.487 30 10 JEEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1359202455 SZONMJYKSXXLRE-IBGZPJMESA-N 476.578 2.236 30 10 JEEE C=CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1(O)CCS(=O)(=O)CC1)C1CC1 1359253951 ZTDUMPAHGDJDCE-CALCHBBNSA-N 495.646 2.143 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccnc2)n1CC1(O)CCS(=O)(=O)CC1 1359255500 APFJWXRKENGHJS-UHFFFAOYSA-N 478.578 2.344 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](CC)C1 1359309827 FJODILFZESZTIS-RXVVDRJESA-N 475.615 2.460 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@H]2OCC[C@H]2C)C1 1359314553 CVYFWJHPOFAKJA-YFVAEKQCSA-N 475.615 2.402 30 10 JEEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1359343292 PZOLQWQCBJFBGV-RTBURBONSA-N 462.664 2.271 30 10 JEEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C 1360475998 GOHKXNGLELUCAN-ZACQAIPSSA-N 466.608 2.318 30 10 JEEE N#Cc1ccc(N2C[C@@H](C(=O)NC[C@H](O)COc3ccccc3Br)CC2=O)cc1 1445527403 CNXRARJAUPNVTN-RDJZCZTQSA-N 458.312 2.230 30 10 JEEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)NCC(=O)N(C)OC)c1 1451707736 GPEFYLYUGDUVPH-UHFFFAOYSA-N 451.932 2.471 30 10 JEEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2ncc(Cl)cc2C(=O)Cc2cccc(F)c2)C1=O 1460583196 CNHGHODYLWNDNA-UHFFFAOYSA-N 458.833 2.215 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1507517099 GARNGQFAZFWYIZ-KCOOYEKVSA-N 473.597 2.123 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](OC)C(C)(C)C)c1 1507545685 ADGVMNHLYXWOQM-APWZRJJASA-N 490.630 2.006 30 10 JEEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1C[C@H](C)COC)[C@H]1CCS(=O)(=O)C1 1507640131 PSJHYOWWRQXWAB-PMACEKPBSA-N 460.600 2.383 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1-n1nc(C)cc1C 1507669084 HHPWUBIWLPQHNU-QFIPXVFZSA-N 476.606 2.494 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 1507752339 YUHHLRDUJPCWPG-AZUAARDMSA-N 493.699 2.022 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCO[C@H](c2ccccc2)C1 1507830673 PMNPSKYHTFGCPW-PMACEKPBSA-N 461.588 2.155 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1507844469 KKEUJEAHSLNVOO-NHCUHLMSSA-N 471.583 2.222 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1507915333 BLURKWQRYOXECQ-ZWKOTPCHSA-N 489.646 2.180 30 10 JEEE C=CCCOCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1507959437 MZDQSEBWQWDESY-SFHVURJKSA-N 462.572 2.322 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC(N2CCCNC2=O)CC1 1508076492 ULMKUKLZMCAQJF-QGZVFWFLSA-N 485.564 2.244 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(CCOC)[C@@H](C)C1 1508141457 VRLTVSHSYWWXMH-IBGZPJMESA-N 486.642 2.195 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1508148067 FQIVTUITTCHIID-UHFFFAOYSA-N 493.605 2.292 30 10 JEEE Cc1ccc(-c2nnc(N(C)Cc3ccc(C#N)cc3)n2CC2(O)CCS(=O)(=O)CC2)o1 1510760701 AIKXDXRRTHBKLJ-UHFFFAOYSA-N 455.540 2.294 30 10 JEEE CCN1CCN([C@@H](C)Cn2c(-c3ccc(OC)c(OC)c3)nnc2N2CC[C@](F)(C#N)C2)CC1 1515891130 DAYVKSVMJYNSKL-UUOWRZLLSA-N 471.581 2.430 30 10 JEEE N#CCc1ccnc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)c1 1516229684 DPHLQOUNYYCSJA-UHFFFAOYSA-N 456.524 2.348 30 10 JEEE C#CCNC(=O)C1CCN(C(=O)c2cc(C)c(C)c(S(=O)(=O)N3CCC(C)CC3)c2)CC1 1524476517 LASUZIBSWKZPPQ-UHFFFAOYSA-N 459.612 2.326 30 10 JEEE C#CCCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC(CC(N)=O)CC1 1539049809 UPWPGIZFIGSYBD-UHFFFAOYSA-N 471.631 2.442 30 10 JEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2cc(F)cc(C)c2C1 1539071469 ADAUJCNPWBTMOA-OAQYLSRUSA-N 475.590 2.425 30 10 JEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)Nc1cc(F)cc(F)c1 1539072181 MMYJLLNNHFUDOE-OAHLLOKOSA-N 465.526 2.337 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1ccccc1[N+](=O)[O-])C1CC1 1539124064 BUHYBDHNZNOABP-HXUWFJFHSA-N 488.570 2.102 30 10 JEEE C#CCN(CC#CC)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1539328769 ZGFFTXIPUCYTPB-LJQANCHMSA-N 460.003 2.267 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)CC(C)(C)C1 1539631703 MXEDSOKYHUJYNT-NMLBUPMWSA-N 481.663 2.465 30 10 JEEE C=C(C)Cn1c(COc2ccc(OC)cc2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1539717519 DMMWABMDPTXMSX-OAQYLSRUSA-N 491.614 2.073 30 10 JEEE C=CCn1c(-c2ccccc2)nnc1N1C[C@@H]2[C@@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1540856262 GBORATIMNKHQGC-SQNIBIBYSA-N 459.572 2.258 30 10 JEEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 1540919437 AMZSGFKPOZPZBL-UHFFFAOYSA-N 468.627 2.211 30 10 JEEE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3cccc(C#N)c3)n2CC2(N(C)C)CCOCC2)C1 1540937885 HACPXJPQWPELSH-OAQYLSRUSA-N 465.602 2.232 30 10 JEEE C[C@H](C#N)CN(C)c1nnc(-c2ccc(Br)s2)n1CC1(O)CCS(=O)(=O)CC1 1541106925 CXCQMJQZZPHTOJ-GFCCVEGCSA-N 488.433 2.305 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC1Cc2ccccc2C1 1541115659 CMVQMTYEYOULQN-UWJYYQICSA-N 472.615 2.012 30 10 JEEE CCC[C@H](C)NC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)NC)C1 1546895589 BSZRKLYUPKNEGC-PXNSSMCTSA-N 451.575 2.474 30 10 JEEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCc1ccc(NC(C)=O)cc1 1548174410 BVIFGGUDEDAMNE-SFHVURJKSA-N 489.584 2.392 30 10 JEEE COc1ccc(C(=O)N2CCN(c3ccc(C#N)c(C(F)(F)F)c3)C[C@H]2C(N)=O)cc1OC 1548368011 GJIOHLSADZYYEK-KRWDZBQOSA-N 462.428 2.411 30 10 JEEE CNC(=O)[C@H]1CN(C(=O)CCOC)CC12CCN(c1ccc(C#N)c(C(F)(F)F)c1)CC2 1548375703 VAENWZIETPRVDO-GOSISDBHSA-N 452.477 2.405 30 10 JEEE CN(C)C(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOc2ncccc2Cl)CC1 1552738419 CVPGRCQFZVUTLA-UHFFFAOYSA-N 494.987 2.154 30 10 JEEE COC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCOCC2(C)C)C1 1554514237 GENVXOVDNMZXGY-FQEVSTJZSA-N 452.559 2.317 30 10 JEEE C#CCN(c1nnc([C@@H](C)CC)n1CCS(=O)(=O)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1588030231 RILKBOPIJOYWRH-AZUAARDMSA-N 478.640 2.033 30 10 JEEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1Cc1c(CC)noc1C)[C@@H]1CCS(=O)(=O)C1 1588069241 JYCOZNDUZAXJMD-GOSISDBHSA-N 499.593 2.400 30 10 JEEE C#CCN(c1nnc(COc2ccccc2CC)n1Cc1cc(C)nn1C)[C@H]1CCS(=O)(=O)C1 1588069247 KEWCQYGOOIVDAF-FQEVSTJZSA-N 482.610 2.136 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccccc1Cl)N(C)C 1588647656 XJVWWDDVALALJG-PXNSSMCTSA-N 480.034 2.223 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CC[C@@H](OC)C(F)(F)F)CC1 1588791008 KJUUXMNWZOAQFQ-GOSISDBHSA-N 451.449 2.396 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2CCNC(=O)OC(C)(C)C)CC1 1588871600 JKNMCIHMDCNAAC-UHFFFAOYSA-N 470.574 2.146 30 10 JEEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1589060577 UASJFZITWKUQCJ-HXUWFJFHSA-N 460.648 2.021 30 10 JEEE C=CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1Cc1ccc(C(N)=O)nc1 1594943426 QUYIRIBZBXCZGE-UHFFFAOYSA-N 458.526 2.400 30 10 JEEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCc2cc(F)cc(F)c2C1 1595577158 KEHNTMIRZQNNQR-UHFFFAOYSA-N 472.521 2.413 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(Cl)cc2)nnc1N1CCN(C(=O)OCC)CC1 1595823582 POSHAKVGAAJURT-UHFFFAOYSA-N 498.005 2.390 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1595831230 NYUYANPMAXRDRQ-YSTOQKLRSA-N 482.647 2.182 30 10 JEEE CC(C)Oc1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CC(=O)N2CCOCC2)cn1 1610923000 BQGNOHGWZAOYID-UHFFFAOYSA-N 475.553 2.342 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@@H](c1ccsc1)N(C)C 1611683854 AQSSUTUNPFBPGG-YJBOKZPZSA-N 465.649 2.383 30 10 JEEE C[C@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1Cc1cccnc1OCC(F)F 1612657281 DNRGXBPSSGSWHH-INIZCTEOSA-N 497.506 2.483 30 10 JEEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)N2CCSCC2)C[C@@H]1C 1612916695 FISIJYSYPQJYIY-IRXDYDNUSA-N 460.629 2.288 30 10 JEEE CN1CCCC(C)(C)[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1618471187 FYWARLVSDJLTQU-NRFANRHFSA-N 485.658 2.409 30 10 JEEE CO[C@@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1618937421 FDJPRTXWPUTHQK-IBGZPJMESA-N 465.602 2.423 30 10 JEEE CC(C)NS(=O)(=O)c1cc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)ccc1F 1633662104 FIVHATRIMAXHJE-GDBMZVCRSA-N 454.524 2.001 30 10 JEEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCN(C(=O)c3cccc(F)c3)CC2)CC1 1657306844 FHYSTDGVFIRADE-HXUWFJFHSA-N 455.559 2.054 30 10 JEEE C#Cc1cccc(NC(=O)CNS(=O)(=O)[C@@H]2CCCN(C(=O)c3cccc(Cl)c3)C2)c1 1659636715 IOILXAUFTBOAFO-HXUWFJFHSA-N 459.955 2.484 30 10 JEEE N#CC1(CS(=O)(=O)N2CCN([C@@H](C(=O)NCc3ccccc3)c3ccccc3)CC2)CC1 1663822907 HSDQOYGPSXMTBP-JOCHJYFZSA-N 452.580 2.295 30 10 JEEE CCOC(=O)c1c(NC(=O)N2CCNC(=O)[C@@H]2c2ccccc2C)c(C#N)cn1CCOC 1676108576 FMWSEKYNZAXWLL-IBGZPJMESA-N 453.499 2.196 30 10 JEEE C[C@@H](CNC(=O)NCCn1cc(C#N)c(O)nc1=O)Sc1ccc(Br)cc1 1677105209 CRKPXNRAIBHERP-NSHDSACASA-N 452.334 2.063 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1cnccc1OC 1689831713 PWMMTIMGAQRUMJ-OAHLLOKOSA-N 453.572 2.456 30 10 JEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(OC)c(C)c1 1689893120 UQSHNECICPXPSL-OAQYLSRUSA-N 475.615 2.368 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CC(=C)Br)[C@@H]1CCS(=O)(=O)C1 1689983502 CJRLHPQRWPISPD-MRXNPFEDSA-N 465.373 2.489 30 10 JEEE C#CCN(c1nnc(-c2ccc(OCC)c(OC)c2)n1Cc1cc(C)on1)[C@@H]1CCS(=O)(=O)C1 1689984853 WYYJVZJOENGEQC-LJQANCHMSA-N 485.566 2.324 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@@H]1CCOC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1689984921 YEGQYONBVHFWPR-YZGWKJHDSA-N 458.584 2.253 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CCCN1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1689992967 RUGPTCXBYPXBFC-JOCHJYFZSA-N 470.643 2.013 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCOC2)n1C[C@@H]1C[C@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1690046752 GOANWDFXEISWQW-IVAOSVALSA-N 469.586 2.269 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2Cc2c(C)noc2C)CC1 1690150711 RFXPAFXIEVJTAT-UHFFFAOYSA-N 453.572 2.253 30 10 JEEE C#CCSCCn1c(CCCc2ccccc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1690180695 JTYWYYIUVLFXPY-IBGZPJMESA-N 461.657 2.290 30 10 JEEE C=C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC1 1690362989 WIQISJFCCKNUBY-LJQANCHMSA-N 466.590 2.025 30 10 JEEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 1690469022 AWVPHDMJKAWVNN-GOSISDBHSA-N 452.625 2.213 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1690715643 PYQCWXOAENADRX-RTBURBONSA-N 496.655 2.259 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 1690723384 PWDKMDXQSQUOJW-UHFFFAOYSA-N 494.621 2.273 30 10 JEEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCC(=O)N3)n2CCC2CCN(CC(F)(F)F)CC2)C1 1698483599 GIQMRPYBNCPNGG-DNVCBOLYSA-N 457.476 2.336 30 10 JEEE N#C[C@]1(F)CCN(c2nnc(COc3ccc(F)cc3)n2CC2CCS(=O)(=O)CC2)C1 1698485890 DSFNWEPAUISOBF-HXUWFJFHSA-N 451.499 2.263 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CC1(N(C)C)CCC1)[C@H]1CCS(=O)(=O)C1 1705562365 AUUMUOLMCPEJER-IBGZPJMESA-N 457.600 2.065 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCCCN1CCCC)[C@@H]1CCS(=O)(=O)C1 1705567096 TZSHACXQXRTQOH-BHIFYINESA-N 477.675 2.453 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@H](OC)C(C)C)[C@H]1CCS(=O)(=O)C1 1705568222 JOCLHCOROJXTLY-FPOVZHCZSA-N 460.600 2.463 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1CC(C)(C)CN(C)C)[C@H]1CCS(=O)(=O)C1 1705570660 QDKCVXUGUOTOBD-IBGZPJMESA-N 461.607 2.223 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCC(=O)NC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1705571848 JQOJFFKUBVFBEQ-NLWGTHIKSA-N 493.674 2.128 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCS(=O)(=O)N(C)C 1705588345 CNCNGVOXBIAEQU-QGZVFWFLSA-N 463.991 2.426 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@H]2CCC[C@@H](O)C2)CC1 1705633960 DFVZTTDHVYYZMM-AZUAARDMSA-N 469.586 2.277 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCNC(=O)[C@@H](C)CCC)CC1 1705640292 MHDSOZWFHPQKRF-UGKGYDQZSA-N 466.586 2.098 30 10 JEEE C#CCN1CCN(c2nnc(CCCOc3ccc(Cl)cc3C)n2C[C@]2(O)CCN(C)C2)CC1 1705641594 LTYPPLUMWBJQQU-VWLOTQADSA-N 487.048 2.073 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@@](C)(O)c2ccc(F)cc2)CC1 1705649200 OMAVQBQRVIODRB-RUZDIDTESA-N 462.529 2.353 30 10 JEEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1705680825 HXVXJRICZMJLPE-XIRDDKMYSA-N 458.401 2.068 30 10 JEEE C=C(Br)Cn1c([C@H]2CCOC2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1705687422 DGPPKBWYDTZZJR-KRWDZBQOSA-N 469.428 2.071 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2cn3ccccc3n2)nnc1N(C)C[C@H](C)C(=O)NC 1705706038 OTQYVNGAALLOJJ-SPEDKVCISA-N 451.575 2.316 30 10 JEEE C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(=O)C2CC2)CC1)c1ccccc1 1705741142 HDGNJQRUMBBTFY-SFHVURJKSA-N 472.615 2.050 30 10 JEEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 1705819373 KIWQAXDSSBYWAH-QKNQBKEWSA-N 475.663 2.399 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1705897661 QXOKLDGEUAESFB-CABCVRRESA-N 498.481 2.364 30 10 JEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1705946802 RHMGDEKYZYICAX-KRWDZBQOSA-N 488.701 2.037 30 10 JEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(c2nccs2)CC1 1722316740 MJJVBLAOQRGKQF-SFHVURJKSA-N 478.644 2.255 30 10 JEEE C#CCCCCn1c(Cc2cccnc2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1722319817 SFEGQJYJZBDIRP-XMMPIXPASA-N 457.582 2.416 30 10 JEEE C#CCN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1[C@@H]1C[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1722359272 RGUXQQDAVPPKJE-JCGIZDLHSA-N 461.975 2.069 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1C[C@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1722364599 LZZXXOHBRQFFGC-BZSNNMDCSA-N 463.579 2.134 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](C)CN1CCCC1 1722394571 WZUOOAUOBUUYSJ-HXUWFJFHSA-N 467.643 2.433 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CCCC=C)CC1 1722446519 ZGOKSGBWENVYFN-UHFFFAOYSA-N 469.615 2.170 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](OC)c2ccccc2)CC1 1722449067 FPFMKLJUUXUCTC-QHCPKHFHSA-N 475.597 2.493 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C)c2ccccc2C1 1722490888 FDPSQHMCZQEVPD-QFUCXCTJSA-N 474.631 2.326 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN1CCOC[C@H]1C 1722525778 AVLNSZTZKDKPCV-GOSISDBHSA-N 461.636 2.361 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1C[C@@H]2OCO[C@@H]2C1 1722694559 ZRWZZENDICJXPA-GASCZTMLSA-N 468.739 2.225 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@H](C)C1 1722727836 ORRKMNYHWGEHGE-INIZCTEOSA-N 456.572 2.029 30 10 JEEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 1722733084 WVAMVJHWSBJIPU-CVEARBPZSA-N 488.680 2.253 30 10 JEEE COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2CCN(C(C)=O)CC2)C[C@H](C)O1 1730585729 DVBKFMNBUKMECS-HTAPYJJXSA-N 452.559 2.315 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2C[C@H](C)N2CCN(CC)CC2)c1 1740562441 KACXAIOZCIXKAV-JTHBVZDNSA-N 493.656 2.254 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1740617020 KIBGHZIETDPUFE-SCTDSRPQSA-N 462.547 2.220 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H](C)Sc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1740622629 ZXRFCICWGJZTHX-IEBWSBKVSA-N 470.624 2.486 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1Cc1ccc(OCC2CC2)nc1)[C@@H]1CCS(=O)(=O)C1 1740625117 DBMNNSJZZXXJEI-HXUWFJFHSA-N 457.600 2.335 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(S(C)(=O)=O)CC1 1740638571 ODPIHDJGEYHEOS-SFHVURJKSA-N 475.615 2.043 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1([S@](C)=O)CCC1 1740646644 HEKXYSLUCJDSFW-XIFFEERXSA-N 486.667 2.311 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1C[C@@]1(O)CCN(C)C1 1740649426 UDAIPUQHPHQDBM-NBGIEHNGSA-N 451.571 2.346 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(C(=O)NCC)CCC1 1740676361 APZQRMIWBIXDAC-IBGZPJMESA-N 487.601 2.266 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccc(Cl)c3)n2CC(=O)N(C)C)n1 1740688437 VJGGCHDVKOVWAI-UHFFFAOYSA-N 455.950 2.169 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C)Oc2ccc(Cl)cc2)CC1 1740705403 GFFOHKAXNWEXEX-UZLBHIALSA-N 484.988 2.316 30 10 JEEE C=C(Cl)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(CC(=O)NCCOC)CC1 1740807925 RYPWLRSKEJRQPV-UHFFFAOYSA-N 471.364 2.375 30 10 JEEE C=CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1740865183 KRIGOYNVJSWUOE-UHFFFAOYSA-N 454.623 2.240 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1740976930 AGPRVDHAFPAKSE-UXHICEINSA-N 456.572 2.022 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@]2(CCOC2)C1 1740985142 CJVMEPLZNMDQQV-JOCHJYFZSA-N 494.017 2.079 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H](C)[C@H](C)C1 1740987989 QJKKNSPJAVSEAK-QZTJIDSGSA-N 495.671 2.279 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C2CCCCC2)CC1 1740995616 RNMFHTWHNSUOKZ-FPOVZHCZSA-N 481.663 2.058 30 10 JEEE CCC[C@H](C)C(=O)NCCn1c(-c2ccccn2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1745196039 BFMUXKASHCEBST-SFHVURJKSA-N 490.616 2.133 30 10 JEEE CCS(=O)(=O)N(C)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCc2nc(C)no2)CC1 1747421945 FLORTOULPBIELL-UHFFFAOYSA-N 498.613 2.391 30 10 JEEE CCS(=O)(=O)NCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@](C)(C#N)C1 1747441449 HMEXAZLQMYCQRL-QGZVFWFLSA-N 470.397 2.105 30 10 JEEE CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCN(CC(C)C)C2)CCO1 1748208918 CFAIUPGXCXMXGD-IFMALSPDSA-N 465.602 2.136 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CCN2CCC[C@H](C)C2)c1 1748692735 MWGPGMIHWNIWSD-GHTZIAJQSA-N 463.586 2.017 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](C)Oc1ccccc1)[C@H]1CCS(=O)(=O)C1 1748801858 IDCJYKWLSPADBJ-MOPGFXCFSA-N 494.577 2.020 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCc1ccc(N(C)C)cc1)[C@H]1CCS(=O)(=O)C1 1748811876 NEHFLGUBVSJCGN-FQEVSTJZSA-N 452.584 2.209 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1Cc1ncc(CC)s1)[C@H]1CCS(=O)(=O)C1 1748821172 MXWRYWGLCGWDGM-SFHVURJKSA-N 496.618 2.423 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CC1(N2CCOCC2)CCCCC1 1748875543 SACQBPZHKLQDGJ-UHFFFAOYSA-N 452.603 2.012 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCCNC(=O)c2cccc(O)c2)CC1 1749009235 GXXLHJRXBWILJX-QFIPXVFZSA-N 494.596 2.011 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCS(=O)(=O)CC1 1749119081 NAVSYCAISAQPJW-MJGOQNOKSA-N 494.017 2.078 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@](C)(O)c1ccccc1 1749159152 PXQWSMCDBDMKJU-NFBKMPQASA-N 477.631 2.311 30 10 JEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)c2ccsc2)CC1 1749225444 GABHUJVZNHZUEH-GOSISDBHSA-N 458.588 2.282 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ccc(C)cc2)C(=O)C1 1749731298 AXVPQQRZOOVADF-FQEVSTJZSA-N 473.599 2.282 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2CC2(O)CCC2)c1 1760125808 MCHIEAHVVWVLDS-VWLOTQADSA-N 467.570 2.290 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1760126846 KIEKVYJMUCIKRS-RSBAVMITSA-N 483.573 2.033 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCN2CCC)c1 1760128159 AFEMGIRXXMUFJZ-IRLDBZIGSA-N 498.653 2.111 30 10 JEEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)c(Br)c1 1760175381 IQSXTODUCLOOQW-CQSZACIVSA-N 453.362 2.069 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1C[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1760181294 RZWBCNJMLVPQJZ-DZKIICNBSA-N 466.405 2.329 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1Cc1csc(COC)n1)[C@@H]1CCS(=O)(=O)C1 1760183684 QNMQLQOVZOYWPD-LJQANCHMSA-N 482.591 2.095 30 10 JEEE C#CCN(c1nnc(C2CCCC2)n1CCCN1CCCCCC1=O)[C@H]1CCS(=O)(=O)C1 1760187087 HRNQQIAYNICZRQ-FQEVSTJZSA-N 461.632 2.355 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccc(OC)c(OC(F)F)c1)[C@@H]1CCS(=O)(=O)C1 1760187709 LNESGVFQVOZMBM-DLBZAZTESA-N 496.536 2.067 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@H]1CCCOC1)[C@@H]1CCS(=O)(=O)C1 1760191775 MYNWRVLOHXOLNY-WOJBJXKFSA-N 458.584 2.219 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 1760208660 HTWMADZAZDVJOR-QFIPXVFZSA-N 474.565 2.143 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCCCN2CCCC)CC1 1760265223 SKDZPIIEBZAWOL-OAQYLSRUSA-N 471.650 2.037 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CCCOCC2CCOCC2)CC1 1760268358 IHUCQUCDULJWIV-UHFFFAOYSA-N 480.613 2.448 30 10 JEEE C=C(Br)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(CCOC)CC1 1760306073 AQLGXRQRWRIASH-UHFFFAOYSA-N 491.438 2.129 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1760316439 RXRMSQNPAYXHCY-BDXSIMOUSA-N 496.659 2.212 30 10 JEEE C=C(Cl)Cn1c(N2C[C@H](C)[C@@H](N3CCCN(C(C)=O)CC3)C2)nnc1[C@]1(OCC)CCOC1 1760386613 DAFJARCKNNHYSB-NYDSKATKSA-N 481.041 2.062 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1760519948 VRKUILROTCPVBW-GOSISDBHSA-N 465.558 2.382 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1760526030 AXBDWYKZSVXUIF-IBGZPJMESA-N 463.586 2.342 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@H](C(=O)OC)C2)cc1 1760529356 DJBJPWDCJXAZOF-RBUKOAKNSA-N 474.583 2.183 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC2CN(C(=O)OC(C)(C)C)C2)C1 1760533587 JBTOBVHGYXMXIN-GOSISDBHSA-N 460.579 2.162 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C2CCOCC2)CC1 1760558003 CTUVOALLKMPTAA-NHCUHLMSSA-N 495.690 2.099 30 10 JEEE CCO[C@]1(c2nnc(N3CCN(c4ccc(C#N)cn4)CC3)n2CC(F)(F)F)CCOC1 1765911625 DJPDIZGKHFENON-LJQANCHMSA-N 451.453 2.086 30 10 JEEE CNC(=O)C(C)(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@](C)(C#N)C1 1767540215 FDFLUOUIDNYARP-QFIPXVFZSA-N 458.588 2.251 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1772659997 RFLRSAANRAWLFW-INIZCTEOSA-N 482.994 2.309 30 10 JEEE COc1ccc([N+](=O)[O-])c(C(=O)Nc2nnc(CCC(=O)Nc3ccc(C#N)cc3)c(O)n2)c1 1860896275 MYOFSIOZDTYLCM-UHFFFAOYSA-N 463.410 2.189 30 10 JEEE C=CCNC(=O)[C@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)c1ccccc1 1861747794 HWXOGVCZBKXBIH-HXUWFJFHSA-N 477.970 2.134 30 10 JEEE COc1ccc([C@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2CCN2CCOCC2)cc1O 1862642747 OXDJHTBJTSZQOI-QFIPXVFZSA-N 486.496 2.459 30 10 JEEE Cc1ccc([C@@H](C#N)NC(=O)[C@H](C)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1 1867782103 OUOCGERSIUHJQB-QFBILLFUSA-N 451.483 2.239 30 10 JEEE CCCC[C@@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)NC[C@H](c1ccc(O)cc1)N(C)C 1869933589 JMOYOKYYELGBGL-WOJBJXKFSA-N 458.584 2.409 30 10 JEEE CCN(CC)Cc1cc(=O)c(OCC(=O)Nc2sc3c(c2C#N)CCC3)cn1CCOCCO 1870324391 JATOECGVCYUAAB-UHFFFAOYSA-N 488.610 2.138 30 10 JEEE C#CCOc1cn(C[C@H](O)c2ccc(Cl)cc2)c(CN2CCN(c3ncccn3)CC2)cc1=O 1870563642 JTBGSMUSZRASBE-QHCPKHFHSA-N 479.968 2.360 30 10 JEEE C=CCN=c1nc(Nc2ccc(C(=O)NCCN(CC)CC)cc2)[nH]c(N2C[C@H](C)O[C@H](C)C2)n1 1871705071 SNMZBNXDKQZZRB-KDURUIRLSA-N 482.633 2.320 30 10 JEEE COC(=O)c1cccc2c1c(/C=N/n1cnnc1SCC(=O)NCc1ccco1)cn2C 1873504558 AXAZJVVOZFJJDM-PGGKNCGUSA-N 452.496 2.440 30 10 JEEE COc1ccc(Cc2nnc(SCC(N)=O)n2/N=C/c2cccc(OC)c2OC)cc1OC 1874237869 KYXUPKPROOPHDG-WYMPLXKRSA-N 471.539 2.363 30 10 JEEE CC(C)N1C[C@H](c2nnc(SCC(N)=O)n2/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)CC1=O 1874337185 GEPCPAUBXRXTQV-UKLDMWCTSA-N 465.923 2.024 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)N[C@H](C(=O)O)C(C)(C)S 2019058796 MSHBBWVNJRQXFR-GOEBONIOSA-N 454.545 2.291 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)[C@H]2COC[C@H]12 2267137648 OMRDDDZLVYCLBT-OAGGEKHMSA-N 464.393 2.411 30 10 JEEE CCO[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)[C@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)o1 2267558399 BLXGEJLXHVYVBI-FRFSOERESA-N 450.341 2.379 30 10 JEEE COC(=O)[C@H](CC(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)cs1)NC(=O)OC(C)(C)C 2268622165 IGUOBWTVMKPNPC-HNNXBMFYSA-N 468.381 2.120 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)sc1CNC(=O)CC1(O)CN(C(=O)OC(C)(C)C)C1 2268635166 OJWNZKPWWMPBLC-UHFFFAOYSA-N 466.409 2.344 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@@H](C(=O)Nc3ncc(B4OC(C)(C)C(C)(C)O4)s3)[C@@H]2C1 2268654965 GJGRUEZRKZKZOA-MJBXVCDLSA-N 465.381 2.263 30 10 JEEE CCn1ncc(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)c1NC(=O)OC(C)(C)C 2268709300 KFJRTKIQHHUNSB-UHFFFAOYSA-N 464.357 2.075 30 10 JEEE CC(C)(C)OC(=O)N[C@@]1(CO)CCCN(c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2269008577 VKTSUYIECZZFFO-QFIPXVFZSA-N 451.348 2.376 30 10 JEEE N#Cc1cc(Br)ccc1NS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 2270522147 MSXLKTXNPBLERX-INIZCTEOSA-N 482.312 2.442 30 10 JEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2CCC(C)(C)N2C(=O)OC(C)(C)C)n1 2281953214 HTBHCWVVADTOFN-CQSZACIVSA-N 463.388 2.022 30 10 JEEE Cn1nc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)CC23CC3)cc1B1OC(C)(C)C(C)(C)O1 2281965397 JQKBOLFQRIMYPL-INIZCTEOSA-N 460.384 2.239 30 10 JEEE Cn1nc(C(=O)N[C@H]2CC23CCN(C(=O)OC(C)(C)C)CC3)cc1B1OC(C)(C)C(C)(C)O1 2281973515 SSSXQCQXDLDBRC-INIZCTEOSA-N 460.384 2.239 30 10 JEEE C[C@@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)[C@H](CNC(=O)OC(C)(C)C)C1 2281981452 NRKSWZPRASDCFY-CVEARBPZSA-N 462.400 2.485 30 10 JEEE COc1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC(=O)NCc2ccccc2)cc1OC 2282054688 UDXQTIMKYFFGNL-UHFFFAOYSA-N 454.332 2.049 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)c1 2282113153 MMBUDHBLFDAITB-VQIMIIECSA-N 460.380 2.252 30 10 JEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2282190631 RMSMYMUMOKMVRF-IAGOWNOFSA-N 461.368 2.135 30 10 JEEE CC1(C)OB(c2ccccc2S(=O)(=O)NC[C@@H]2COCCN2Cc2ccccc2)OC1(C)C 2282353465 VQUUNHVAEIITRP-HXUWFJFHSA-N 472.416 2.165 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1C[C@H]2C[C@H]1CN2C(=O)OC(C)(C)C 2282588791 XBPIUYUJQBNXLT-XHSDSOJGSA-N 460.384 2.155 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)n1 2282595739 YFYCIRMHCOOUQB-NVXWUHKLSA-N 460.384 2.284 30 10 JEEE CN(Cc1ccccc1)[C@@H]1CCCCN(C(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)C1 2282615262 XLCBKQPFUXCJOF-LJQANCHMSA-N 453.396 2.241 30 10 JEEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H](NC(=O)c3ncncc3B3OC(C)(C)C(C)(C)O3)[C@H]1CC2 2282684785 WFYIILIUIAOVKC-USXIJHARSA-N 458.368 2.436 30 10 JEEE C[C@H](NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C)c1nscc1B1OC(C)(C)C(C)(C)O1 2283960893 CNHZJQIOFTWRDX-HOCLYGCPSA-N 480.440 2.171 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@]2(F)CCC[C@]2(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2284051505 OXPSDYQROMYLQN-RTWAWAEBSA-N 482.387 2.327 30 10 JEEE COc1cc(C=Nn2c(SCCCO)nnc2C(C)C)ccc1OCCN1CCOCC1 2331708053 SZFSBOZYYKDKOO-UHFFFAOYSA-N 463.604 2.478 30 10 JEEE CC1=C(B2OC(C)(C)C(C)(C)O2)CCN(C(=O)[C@@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C)C1 2335423532 GPCMQWIUHKTQAE-MRXNPFEDSA-N 472.413 2.105 30 10 JEEE CCN(CCCNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nc(C)n1C)C(=O)OC(C)(C)C 2337269898 FQPIWICKLIAAOD-UHFFFAOYSA-N 450.389 2.405 30 10 JEEE CC(C)(C)OC(=O)N1CCCO[C@@H](CNC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C1 2337400950 BENAOWAQLHVZPN-AWEZNQCLSA-N 467.397 2.198 30 10 JEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)N1CC[C@@H](B2OC(C)(C)C(C)(C)O2)C1 2342471554 ODQLXCDELBTVHT-CVEARBPZSA-N 472.413 2.105 30 10 JEEE Cn1nc(C(=O)N[C@H](CCO)COCc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2343461464 UIXXUNCZUAQUIS-MRXNPFEDSA-N 463.771 2.070 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C 2362464931 MHXOKNWPQZYPIM-GFCCVEGCSA-N 476.305 2.295 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)N2CC[C@H]1C2 2368742144 JFRNOXRAENVMPC-JKSUJKDBSA-N 461.368 2.002 30 10 JEEE CC(=O)Nc1ccccc1NC(=O)CCSc1nnc(N/N=C/c2cnn(C(C)C)c2)n1N 20921493 AASZGUXQZYGENA-LSHDLFTRSA-N 470.563 2.295 30 10 JEEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc3[nH]cc(C(=O)OCC)c(=O)c3c2)cc1 32606477 SZYCPFIILPWOHU-UHFFFAOYSA-N 455.492 2.421 30 10 JEEE CCCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1[C@H](C)c1ccccc1 729669354 MCOBKENTGCTLFN-QGZVFWFLSA-N 457.559 2.196 30 10 JEEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccc(OC)nc1 729672620 YMIPCHIKYNXVAO-HNNXBMFYSA-N 459.531 2.069 30 10 JEEE C=CCO[C@@H]1CCN(C(=O)Nc2ccc(S(=O)(=O)N3CCC[C@H](C(=O)OC)C3)cc2)C1 1197220884 RYSATGCSEIRNPK-FUHWJXTLSA-N 451.545 2.069 30 10 JEEE COC(=O)CCc1cccc(NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 1219957853 ICJRWMBGRMAYIE-UHFFFAOYSA-N 456.524 2.202 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@H](C)N1CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1286395642 SAIOYWITHSWRQO-RZUBCFFCSA-N 470.643 2.011 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccs1 1286458153 LHVRBLFMKYHGLH-FQEVSTJZSA-N 489.598 2.500 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3noc4c3COCC4)n2C[C@@H](OC)[C@H](C)CC)CC1 1286490619 NRROGEHHWURATQ-OXQOHEQNSA-N 470.574 2.033 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCN2CCOC[C@@H]2C)CC1 1286492615 NNEAMQROQSFCSL-QFIPXVFZSA-N 494.640 2.160 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[S@](=O)CC 1286744734 LKQPMJKDPQWHLJ-SFNQZPIRSA-N 454.593 2.281 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCS(=O)(=O)CC1)C(C)C 1286750533 CHIATYVEYRBUOR-VQTJNVASSA-N 451.637 2.106 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1286779559 JIXBHQPLACUCHM-ZBFHGGJFSA-N 460.922 2.015 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2ncc(Cl)cc2Cl)CC1 1286788235 SIXXSFKCCGQCQZ-AWEZNQCLSA-N 466.373 2.113 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 1286790563 UOGPOMFQWBFNEV-FQEVSTJZSA-N 474.569 2.125 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)[C@@H]1[C@H]2CCC[C@H]21 1286815182 NXMKBMNIAHAYPJ-PMOLBWCYSA-N 493.655 2.031 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCC(c2ccnn2C)CC1 1286819281 GBSDVFULTOUOBW-UHFFFAOYSA-N 455.588 2.367 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1286821587 PSMQZBDPGCVSTP-SIKLNZKXSA-N 491.633 2.156 30 10 JEEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2c(F)cccc2F)CC1 1286829135 CATFIIWLIIGDRG-KRWDZBQOSA-N 476.553 2.389 30 10 JEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1286832921 QRXXBUKDTASFJE-MJBXVCDLSA-N 454.540 2.255 30 10 JEEE CCCn1nc(-c2nnc(N3CCC(C#N)CC3)n2CCC(=O)N(C)C)c2ccccc2c1=O 1294766877 FCYKZWCSXRXKQV-UHFFFAOYSA-N 462.558 2.283 30 10 JEEE C=CC[C@@H](CO)CNC(=O)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 1295808797 NCCRFYZQYHOGEC-GFCCVEGCSA-N 451.408 2.212 30 10 JEEE CCO[C@@]1(c2nnc(N(CCC#N)CC3CC3)n2C[C@@H]2CCCCS2(=O)=O)CCOC1 1296568887 HSLICZBWWDWABN-RXVVDRJESA-N 451.593 2.028 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCCO3)n2CCC(=O)NC(C)C)c1 1300334490 NGYMTFAOVGYVQT-HXUWFJFHSA-N 452.559 2.491 30 10 JEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)=C(Br)C1 1300365349 UZMPDWIRFIYFSF-KRWDZBQOSA-N 486.436 2.294 30 10 JEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1Cc1cc(C)nn1C)[C@H]1CCS(=O)(=O)C1 1300483268 KBTBFYURDILXCP-SFHVURJKSA-N 458.975 2.315 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1CCc1cccnc1)[C@@H]1CCS(=O)(=O)C1 1300488086 ANYSECBUZXAMOY-LJQANCHMSA-N 481.578 2.227 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCOc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1300495492 IBVRMRKZJHFCHU-IEBWSBKVSA-N 462.547 2.017 30 10 JEEE COc1ccccc1N1CC[C@H](Cn2c(C(=O)NC(C)C)nnc2N2CC[C@](F)(C#N)C2)C1 1300614506 CWFQVHQBTPGBBP-SBUREZEXSA-N 455.538 2.393 30 10 JEEE C#CCN1CCN(c2nnc(CCCOc3ccc(Cl)cc3C)n2C[C@H]2COCCO2)CC1 1300705963 FUQPGGKCESRVPT-NRFANRHFSA-N 474.005 2.422 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](CC(C)C)NC(=O)OCC 1300780282 OSNHAVXTFUSCHU-XGHQBKJUSA-N 468.624 2.041 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](COC)C1 1300893395 YPNJOGRNOGXPKV-QKLQHJQFSA-N 461.588 2.102 30 10 JEEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 1300929090 WMLXGKUSXKAVMU-OAHLLOKOSA-N 456.613 2.206 30 10 JEEE C=CCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1301149610 BTOKBWOEUKKZAA-LJQANCHMSA-N 454.623 2.414 30 10 JEEE C=CCC(C)(C)Cn1c(N2CCN(CC(=O)N3CCCC3)CC2)nnc1[C@@]1(OCC)CCOC1 1301158740 OGNWNIATYDCBMN-RUZDIDTESA-N 474.650 2.277 30 10 JEEE C=CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCCN(S(C)(=O)=O)CC1 1301195033 UFLYTEWQYDINCH-UHFFFAOYSA-N 466.633 2.098 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1301424801 OSDJLVURLIMPCB-AABGKKOBSA-N 467.636 2.363 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1301478373 JQWTXWSTTQRUSV-XUVXKRRUSA-N 452.559 2.168 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC(Oc3cc(C)ccn3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1301518567 IVLSECSVTNJACU-VWLOTQADSA-N 484.601 2.372 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)nnc1[C@@]1(OCC)CCOC1 1301520135 UNNXNNFKCBRJQT-IIBYNOLFSA-N 497.522 2.289 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCC(Oc2cncc(Cl)n2)CC1 1301587383 UXLUSYQGCYGBFF-UHFFFAOYSA-N 466.995 2.323 30 10 JEEE C=CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1301600624 GKDUSRYDFQIROS-NRFANRHFSA-N 477.612 2.299 30 10 JEEE CCS(=O)(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)CN(C)C)CC1 1314544330 CZULKXXIQZUULE-UHFFFAOYSA-N 473.647 2.313 30 10 JEEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCC1(O)CCOCC1 1358946293 PQIXADWZNLODEA-UHFFFAOYSA-N 450.543 2.237 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1358958192 JKWQGYOCCWWEBO-CVEARBPZSA-N 485.393 2.294 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CC1(O)CCN(C(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 1358958808 WGUREZKCFGASHJ-HSZRJFAPSA-N 499.681 2.370 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCc2cc(C)ccc2OC)CC1 1359041646 DLOFXXONOVBPJC-HHHXNRCGSA-N 495.624 2.456 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCCN(C)C(=O)OC(C)(C)C)CC1 1359047551 KYORYRUTQPGWEX-LJQANCHMSA-N 474.606 2.352 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(Cn2ccc3ccccc32)n1CCOCCS(C)(=O)=O 1359072486 FUSGPARWZNPGQD-HSZRJFAPSA-N 455.584 2.334 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(N(C)C(C)=O)CC1 1359106518 GXGTUNBHSBRZQP-LGGPRVQUSA-N 461.607 2.430 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(N)=O)c1 1359277804 WHDVSILGKXTVIZ-IBGZPJMESA-N 469.567 2.156 30 10 JEEE C#C[C@@H]1CCCN(CC(=O)NCCN2C(=O)/C(=C\c3ccc4c(c3)OCO4)SC2=S)C1 1473588566 YDKCGMPTXBZZHN-SKCQWOFPSA-N 457.577 2.078 30 10 JEEE C#CCN(C(=O)Nc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1)[C@H]1CCS(=O)(=O)C1 1476007282 YLVRTXGLEZWBSH-KRWDZBQOSA-N 450.513 2.313 30 10 JEEE C#CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(CCOC)[C@@H](C)C1 1507564230 NDGBFALSADYZKE-NRFANRHFSA-N 466.634 2.413 30 10 JEEE C#CCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1507610226 ALOOUPGCZVLZOH-LJQANCHMSA-N 465.476 2.439 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CCN(C)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1507635774 VIEFIOGAYXEECR-JOCHJYFZSA-N 470.643 2.155 30 10 JEEE C#CCN1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2C[C@@H](CCC)OC)CC1 1507731561 LSTBCZCKQMQZBA-OAQYLSRUSA-N 452.607 2.022 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2CCCCN2CCCC)CC1 1507733285 SOLRPCYAMNMSHA-VABKMULXSA-N 458.651 2.412 30 10 JEEE C#CCSCCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1507755889 DDSQBVBXDLDQAV-IBGZPJMESA-N 493.630 2.367 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)cn2C)n1CC(=O)NCC(F)F 1507761796 REKSAKNOXXKOHM-GOSISDBHSA-N 455.307 2.420 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccccc2OC)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1507807773 FCKYZIUEESKOBM-SVMVAKDDSA-N 476.599 2.470 30 10 JEEE C=C(C)COCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1507835613 HIJPBRYAGDSRGM-SFHVURJKSA-N 482.006 2.078 30 10 JEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(C)nn(Cc2ccccc2)c1C 1507979724 CDBMEZJZXUQWTO-JOCHJYFZSA-N 499.641 2.143 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(O)CCSC1 1508040178 UDPSZQQIHGFPTC-JTSKRJEESA-N 483.635 2.093 30 10 JEEE C=CCn1c(-c2ccc3ccccc3n2)nnc1N1CCN([C@@H](C)C(=O)NCCCOC)CC1 1508052168 UUXIEBUAZJIPIV-IBGZPJMESA-N 463.586 2.343 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN([C@@H](C)c2nc(C(C)C)no2)CC1 1508090999 QXIUAIMDUZIBQF-ZWKOTPCHSA-N 472.594 2.212 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C)C(=O)[C@@H]1C 1508103321 BKXZRWCZDKNQKT-KRWDZBQOSA-N 454.575 2.477 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCO[C@H]1CCCC[C@H]1C 1509683101 GZKPZTOHQVSRHH-DYXWJJEUSA-N 495.632 2.388 30 10 JEEE CCNC(=O)C1(Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3cccc(F)c3C#N)CC2)CCC1 1515971365 DRJVHUZWCDDZMK-UHFFFAOYSA-N 496.591 2.060 30 10 JEEE C#CCCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCCN(S(C)(=O)=O)CC1 1539115716 GYNGAIZKMRGFTN-UHFFFAOYSA-N 454.556 2.485 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](c2ccccc2)[C@H]1C 1539125242 KMMYQFHEUPNNKL-NRSPTQNISA-N 457.600 2.407 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2ccc(OC(C)C)nc2)CC1 1539434861 VZNZMBAOBGUCFG-UHFFFAOYSA-N 494.621 2.334 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2CC2(CC)CCOCC2)CC1 1539488092 GYFTVRUKGIVMBN-UHFFFAOYSA-N 498.653 2.442 30 10 JEEE C#CCSCCn1c(N2CCC(C(=O)N3CCCC3)CC2)nnc1[C@@]1(OCC)CCOC1 1539530571 IYTKXRMLQNZMFD-HSZRJFAPSA-N 461.632 2.135 30 10 JEEE C=C1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CC(C)(C)C(=O)NC)CC1 1539832793 ZBOMVBZYEGBVDT-UHFFFAOYSA-N 459.620 2.475 30 10 JEEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)COc2ccc(F)cc2)CC1 1539998903 SBVGQGHZTLXHJM-IBGZPJMESA-N 456.522 2.062 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@H](c2noc(C)n2)C1 1540866748 YWVOXYMQRBJTPS-INIZCTEOSA-N 461.885 2.309 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCOC(C)(C)C1 1540898922 YPTRDXIDQVNPRI-UHFFFAOYSA-N 450.561 2.178 30 10 JEEE CC(C)(C)OC(=O)N1CCC(c2nnc(N3CC[C@@](F)(C#N)C3)n2CC(=O)NCC(F)F)CC1 1541200381 FGWWHWGAGXMXQN-OAQYLSRUSA-N 485.511 2.216 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2nc3c(s2)CC[C@H](C(=O)OC)C3)ccc1F 1585472012 BCJDZTPQONCFFX-LBPRGKRZSA-N 453.517 2.277 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCSCCCO 1587638352 DFFCSIFQAJBNLQ-IRXDYDNUSA-N 453.609 2.160 30 10 JEEE C#CCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1587835515 SDGTYRJENVEIHK-XMMPIXPASA-N 461.614 2.461 30 10 JEEE C#CCCCn1c(COc2ccc(C)cc2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1587884203 UNMWLKZLJDSGPP-UHFFFAOYSA-N 484.582 2.219 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1cnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1588034497 HFLITLHUSXPAMV-QGZVFWFLSA-N 472.552 2.293 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(F)ccc2Br)n1C[C@H]1CC(=O)N(CCOC)C1 1588093127 CEDZDXRNAUXINN-INIZCTEOSA-N 488.361 2.414 30 10 JEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@]1(O)CCCC1(C)C 1588124458 MOINEXSUQKPESV-HSZRJFAPSA-N 454.600 2.252 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC2CCCC2)CC1 1588899794 WMHJNSYMPUHXDK-UHFFFAOYSA-N 498.653 2.351 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](c2ccccc2)N(CC)CC)CC1 1588923794 MBROOJMTJRSMTE-XZOQPEGZSA-N 491.640 2.278 30 10 JEEE C#CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](OC)C1 1589070942 ZGPXCELXEMPZLV-SJORKVTESA-N 451.593 2.178 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)COC)CC1 1589515938 UPXQUOSRSUMQJH-SIKLNZKXSA-N 455.559 2.230 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C)(c2ccc(C)cc2)CC1 1595477429 UZKRKXTZRLBESE-SFHVURJKSA-N 474.631 2.057 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N(C)Cc1cn(C)nc1C(F)(F)F 1595517098 PFGDWPNANJKBKI-UHFFFAOYSA-N 477.447 2.365 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1595577309 OXKHDBBYRFMSJF-MRXNPFEDSA-N 477.491 2.104 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CNC(C)=O)CC1 1595658837 LFQOSLBAAGIHDJ-HXUWFJFHSA-N 452.559 2.195 30 10 JEEE COc1cc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(CC#N)CC2)ccc1C 1619097900 FWMNAFZZFZPELQ-NRFANRHFSA-N 488.614 2.106 30 10 JEEE C#CCN(C(=O)c1cc(C2CCN(C(=O)OC(C)(C)C)CC2)no1)[C@H]1CCS(=O)(=O)C1 1630830468 NSRDICCQRFVHLI-INIZCTEOSA-N 451.545 2.052 30 10 JEEE C[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)N3CCN(c4ccc(C#N)nc4)CC3)cc2)C1 1637454822 BPKWSUUHBXVHOZ-SFHVURJKSA-N 453.568 2.336 30 10 JEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](COC)c2cccc(Br)c2)c1 1649194836 CNGMYDZPESHJGX-GOSISDBHSA-N 451.342 2.478 30 10 JEEE Cc1c(Br)c(C)n(NC(=O)[C@@H]2CCCN(C(=O)NCC(C)C)C2)c(=O)c1C#N 1654530698 FUCPQQMZVNPCHC-CQSZACIVSA-N 452.353 2.247 30 10 JEEE COc1cc(NC(=O)N(C[C@@H](O)COc2ccc(CC(N)=O)cc2)C(C)C)c(F)cc1C#N 1679427829 BCNGWMYEKGHVBH-QGZVFWFLSA-N 458.490 2.416 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCNC(C)=O 1690102387 JWYGIEAIQVUVJE-LJQANCHMSA-N 462.595 2.005 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CCc2nccnc2C)CC1 1690114773 GYMUBFIQWBLQQX-UHFFFAOYSA-N 477.569 2.067 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@@]2(O)CCSC2)CC1 1690117718 SLPHGEYDYQVMDK-FQEVSTJZSA-N 480.407 2.470 30 10 JEEE C#CCSCCn1c(CSc2ccccc2OC)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1690184234 FXDCJOKEOIEPOV-KRWDZBQOSA-N 495.696 2.416 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)cn2C)n1CCCn1cc(CO)nn1 1690195194 GNBFIGRKOHEHRF-HXUWFJFHSA-N 473.379 2.212 30 10 JEEE C=C(Br)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1690232591 QBANDXVPRDZYMN-HXUWFJFHSA-N 464.412 2.349 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](C(N)=O)C1 1690239204 TUMQJDYDAPFXQV-HBFSDRIKSA-N 473.599 2.032 30 10 JEEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 1690275181 XTALVFHZBXYLDH-PBHICJAKSA-N 465.555 2.004 30 10 JEEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@@H](C(=O)NCCCC)C1 1690669347 BCOGFPZRMCVGIN-QGZVFWFLSA-N 492.584 2.029 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC[C@H](C[C@H]3CCOC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1690677337 UXTUIPRVLSXJMY-REHUZNOOSA-N 461.607 2.264 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCN(C(=O)C(C)C)CC1 1690717441 GIHLNUOYLDHLGD-UHFFFAOYSA-N 497.625 2.241 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCc2c(F)cc(F)cc2[C@H]1C 1690723582 WHBVEPPDNDJURF-FZKQIMNGSA-N 465.526 2.232 30 10 JEEE CC(C)(C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1691033917 AQGFYLCRIFRQDO-HXUWFJFHSA-N 465.602 2.138 30 10 JEEE CCN1CCN(CCCn2c(-c3cccc(C#N)c3)nnc2N2CCN(CC(C)C)C(=O)C2)CC1 1695899794 HWLRJASLVSHWLF-UHFFFAOYSA-N 478.645 2.149 30 10 JEEE CN(CC(C)(C)CN1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1CC1(O)CCOCC1 1696662379 ASAJTEIMGIDMAA-UHFFFAOYSA-N 468.602 2.153 30 10 JEEE COCCN(CCC#N)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C 1698060367 DCJUOBMMCOECSW-SFHVURJKSA-N 458.567 2.445 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2CC2(COC)CCOCC2)c1 1705506690 FZFBVEPULYWMMH-HXUWFJFHSA-N 467.570 2.281 30 10 JEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2ccc(F)cc2)C1 1705516570 DZWXARJCMNZCRQ-RTWAWAEBSA-N 491.589 2.132 30 10 JEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCc2nccn2C1 1705552139 VWFGJCOBDUSIJV-QZTJIDSGSA-N 455.563 2.115 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1cn(CCCCC)nc1C)[C@@H]1CCS(=O)(=O)C1 1705567316 WIYRYJVIJYILHW-OAQYLSRUSA-N 484.630 2.049 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccc(C(F)(F)F)c2)CC1 1705639936 ZLUKJOJEWSSYCG-KRWDZBQOSA-N 467.517 2.003 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)CN1CCCC1 1705717430 KCKWLDWXFNAHCW-LJQANCHMSA-N 468.668 2.135 30 10 JEEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccc(C)cc2)CC1 1705829521 UHHRTCULEFGXBV-FQEVSTJZSA-N 452.559 2.093 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)N1CCOCC1 1705857312 CRKXCBWGXPPVCW-HXUWFJFHSA-N 463.586 2.299 30 10 JEEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1705897200 IFBXQJYRTSWTLO-OAQYLSRUSA-N 473.581 2.480 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CCCN(CCC)C(=O)C1 1705899056 HBWVOGQPNCEAQS-UHFFFAOYSA-N 475.391 2.459 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCN(C)C(C)C)C1 1705922056 FCVLTBRSAUATDD-SFHVURJKSA-N 451.575 2.314 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@]2(O)CCOC2)C1 1705929021 YJIADTYXIBXRIO-IUKKYPGJSA-N 463.579 2.283 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@H](C)Oc1ccccc1OC)[C@H]1CCS(=O)(=O)C1 1722364561 IAGDJBJBMJSAIQ-FPOVZHCZSA-N 495.605 2.367 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CCC1CCC(OC)CC1)[C@H]1CCS(=O)(=O)C1 1722366106 PKEJGLNSWGXDIN-IRQNMHNUSA-N 471.627 2.486 30 10 JEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1Cc1ccc(F)cn1)[C@H]1CCS(=O)(=O)C1 1722372048 OLOOEZYUJJBXIK-NRFANRHFSA-N 483.569 2.281 30 10 JEEE C#CCN(CC#C)c1nnc(CCc2ccccc2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1722385133 ANZPMKOQFHUIJE-UHFFFAOYSA-N 458.566 2.391 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2CCN(C)C(=O)OC(C)(C)C)CC1 1722442522 YQNQXGYFZBUPGX-UHFFFAOYSA-N 484.601 2.488 30 10 JEEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC2(CCCC2)C1 1722462857 YKQNQEHSVKUMEW-GOSISDBHSA-N 467.661 2.138 30 10 JEEE C=C(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C(C)C)C1)c1ccccc1 1722539933 DROZMCCJHNDDLB-SFTDATJTSA-N 475.615 2.186 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1722587929 FMJKYVYATRDQOO-UXHICEINSA-N 465.664 2.331 30 10 JEEE C=CCn1c(CCOc2ccccc2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1722687735 FFCMKVSEHVGTLF-UHFFFAOYSA-N 451.531 2.143 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@]2(CCCOC2)C1 1722691436 QGPZDHJQMRCZKE-QHCPKHFHSA-N 472.977 2.171 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@@]2(CCOC2)C1 1722723793 FNDPUHVGYVMUBF-NRFANRHFSA-N 484.525 2.143 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1CCNS(=O)(=O)Cc1ccon1 1740541422 YVYTWOCVPIWXEK-GFCCVEGCSA-N 499.416 2.335 30 10 JEEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1cccc(SCC)c1)[C@@H]1CCS(=O)(=O)C1 1740624671 KNOFMVHYHSJZSZ-LJQANCHMSA-N 487.651 2.188 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1740664236 JLUVTZDRTYYJBU-GBXCKJPGSA-N 487.626 2.383 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccccc3Br)n2C[C@]2(C)COCCO2)CC1 1740694083 YABXVVIIBJNSFL-OAQYLSRUSA-N 460.376 2.268 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H]2CCCCN2CCC)CC1 1740702832 ABIWCFAUNVGCEI-ATIYNZHBSA-N 486.661 2.161 30 10 JEEE C=C(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(=O)C(C)C)CC1)c1ccccc1 1740796411 APFISMYSDOVOOF-GOSISDBHSA-N 474.631 2.343 30 10 JEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2cc(OC)c(OC)cc2C1 1740888478 SUBSOIRAAHXMAM-SFHVURJKSA-N 476.599 2.353 30 10 JEEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 1740942908 RHANSHQHUOCIPO-XJKSGUPXSA-N 457.503 2.254 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1740953249 ZPDXDLKMOKRGHI-MPGHIAIKSA-N 458.950 2.089 30 10 JEEE C[C@@H]1CN(CCCn2c(-c3cc(Br)c[nH]3)nnc2N2CCO[C@@H](C#N)C2)CCCO1 1743334630 CHNNUVOXKCTWQO-WBVHZDCISA-N 478.395 2.265 30 10 JEEE CC[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2cc(C#N)ccn2)CC1)OC 1744166324 HFNMDCROSKZCFX-GOSISDBHSA-N 480.598 2.288 30 10 JEEE CN1CC[C@@](O)(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCCN(C(C)(C)C)CC2)C1 1748047170 CAELWSVVWWNFDI-VWLOTQADSA-N 467.618 2.106 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1([S@@](C)=O)CCC1 1748665364 PWHFLOCAOJQYCM-HEJPQYQCSA-N 452.584 2.434 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Cl)n1Cc1snnc1C)[C@@H]1CCS(=O)(=O)C1 1748809614 OPRGDOSBCXUVPT-CQSZACIVSA-N 462.988 2.433 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1nncn1-c1ccccc1)[C@H]1CCS(=O)(=O)C1 1748817886 RZCPFMSJNRIEJP-IBGZPJMESA-N 467.599 2.122 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1CCCc1c[nH]nc1C)[C@@H]1CCS(=O)(=O)C1 1748825390 YEKDPJJHGQVSNC-LJQANCHMSA-N 486.573 2.287 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCN1C[C@H](C)C[C@@H](C)C1 1748836081 PGJOUMYZCYVWLQ-NHCUHLMSSA-N 457.586 2.362 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2ccccc2F)n1C[C@]1(N2CCOCC2)CCSC1 1748848749 QBEZLYCZYGWQKC-XMMPIXPASA-N 453.587 2.289 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OC2CCCC2)nc1 1748864175 SDCUHZNXGDZBQI-GOSISDBHSA-N 470.599 2.116 30 10 JEEE C#CCN1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCNC(=O)[C@H](C)CCC)CC1 1748986700 HJFOYAHJFSUDMN-OAQYLSRUSA-N 474.613 2.438 30 10 JEEE C=C(C)COCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1749228549 BESBLIHEPQNLQC-OAQYLSRUSA-N 491.614 2.149 30 10 JEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2ccsc2)CC1 1749457077 FPDIFTVBPPTLHX-LJQANCHMSA-N 465.645 2.157 30 10 JEEE C=CCN(CC=C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1cc(C)nn1C 1749561470 ODLILRMWOCRYTE-UHFFFAOYSA-N 455.588 2.464 30 10 JEEE C=CCn1c(N2CCC[C@H](CN(C)S(C)(=O)=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1749645527 AHLKHDDPGANKDU-KURKYZTESA-N 482.651 2.343 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N(C)Cc1ccc(C(=O)NC)cc1 1749732231 TVQVJTFUIPAVDK-LJQANCHMSA-N 461.588 2.117 30 10 JEEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCN(CC(F)(F)F)C2)CC1 1749873461 HIGZEXLMCIUPQL-LJQANCHMSA-N 477.535 2.469 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1C[C@H]1CCOC[C@@H]1C 1750965184 GSLIRNHLQGUXGH-PKOBYXMFSA-N 469.565 2.426 30 10 JEEE Cc1cc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(Oc3cccc(C#N)c3)CC2)on1 1751972858 BIFXQQOYBGLECE-MRXNPFEDSA-N 485.570 2.153 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](C)N2CCC(C)CC2)c1 1760128759 RKXCKHLMWFHKBE-DENIHFKCSA-N 477.613 2.406 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@H](C)Oc1ccccc1)[C@H]1CCS(=O)(=O)C1 1760183388 BCUZAYNIEYAVDM-OALUTQOASA-N 453.568 2.378 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@H](c1ccccc1)N1CCCC1 1760243075 BSBRTROPQFOVQV-JOCHJYFZSA-N 450.587 2.437 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CCNC(=O)c2ccc(C)c(F)c2)CC1 1760264762 DQLLBHNIDKUFLB-UHFFFAOYSA-N 468.577 2.419 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H]2CCSC2)CC1 1760265529 DEXLEEPALDWNFY-FDDCHVKYSA-N 461.632 2.038 30 10 JEEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1760427503 BKGPVIDSRRMDPA-VQTJNVASSA-N 492.650 2.017 30 10 JEEE C=CCCOCCn1c([C@H]2CCCCO2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1760450109 DKQSCZFZHMJFFP-GOSISDBHSA-N 496.659 2.388 30 10 JEEE C=CCCOCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1760452893 KTAWEQGNBKPKGB-GUDVDZBRSA-N 474.606 2.262 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1760516424 NAFCXCGAXXCUHR-RXVVDRJESA-N 472.565 2.160 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1760518600 XRPNMYIDMDFVIZ-BVZFJXPGSA-N 485.585 2.427 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CC1CC(F)C1 1760522845 ZOTNUGCURIOQAU-OFLPRAFFSA-N 466.558 2.073 30 10 JEEE C=CCNC(=O)Cn1c(N2CCN(Cc3cccs3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1760528707 KNAOOLCSSNFSKE-HSZRJFAPSA-N 474.631 2.005 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCN2CCN(C(C)=O)CC2)C1 1760549588 HSLCGMUDYZYVBW-XMMPIXPASA-N 482.629 2.419 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C/C(C)=C\c1ccccc1 1760554906 QKOIZPQMFDDRMT-PUWPPSGDSA-N 478.640 2.321 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@H](C(=O)OC)C1 1760557594 QNDIWGCXHJINAV-IBGZPJMESA-N 476.599 2.464 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1760558144 HGVSGDWAXLJMAH-XMTFNYHQSA-N 490.692 2.055 30 10 JEEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)CC(C)(C)C1 1760565706 CQKCQVHPEBFGOY-SJORKVTESA-N 457.666 2.403 30 10 JEEE COc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H](c1ccco1)N(C)C 1768980418 DIFZRWKKNKOKFA-MSOLQXFVSA-N 452.515 2.490 30 10 JEEE COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCC2CCOCC2)CC1 1770675086 FYTUIDUYBCHLOF-UHFFFAOYSA-N 452.559 2.319 30 10 JEEE COCCC1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)CC1 1770992547 FUYADFSBAYAQHE-KRWDZBQOSA-N 458.588 2.104 30 10 JEEE CC(=O)Nc1nnc(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)c2cccc(C#N)c2)CCO3)s1 1858453870 WKRGPQPZFYLTIR-UHFFFAOYSA-N 484.519 2.208 30 10 JEEE COc1cccc([C@@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2CCNC(C)=O)c1 1862568973 CMNQNMKPKNETIE-OAQYLSRUSA-N 454.479 2.427 30 10 JEEE CN(C)c1cccc(NC(=O)[C@@H](CO)NC(=O)C2CCN([C@@H](C#N)c3cccs3)CC2)c1 1866866789 KQWLRPRCQHUROQ-UXHICEINSA-N 455.584 2.207 30 10 JEEE CC(C)(NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(=O)N1CCN(c2ncccn2)CC1 1868775077 YUMKMGBXMDNKOH-LJQANCHMSA-N 481.626 2.058 30 10 JEEE N#Cc1ccc(COc2cn(CCc3ccc(S(N)(=O)=O)cc3)c(CSCCO)cc2=O)cc1 1870232728 HJPGEDNHVWTQJT-UHFFFAOYSA-N 499.614 2.415 30 10 JEEE CC(=O)NCc1nnc(SCC(=O)NCc2ccccc2)n1/N=C/c1ccc(F)cc1F 1874436174 PHUKXAORUVFFPB-KBKYJPHKSA-N 458.494 2.483 30 10 JEEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)N3CC[C@@H](COc4ccc5nncn5n4)C3)n[nH]2)c1C 1890398792 RWCXHDWPMPLMJX-QGZVFWFLSA-N 461.530 2.445 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1ccc(Br)cc1C#N)C1CS(=O)(=O)C1 2197521890 BGACWOPQQWVYLU-CQSZACIVSA-N 458.334 2.197 30 10 JEEE CO[C@@H]1[C@H](OC)CN(C(=O)OC(C)(C)C)[C@H]1C(=O)N1CCC=C(B2OC(C)(C)C(C)(C)O2)C1 2205490659 WKDDXTKMNDYRME-KZNAEPCWSA-N 466.384 2.426 30 10 JEEE CC(C)(C)OC(=O)N1CC(NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2255933317 NJEDWIUFSFDTLU-UHFFFAOYSA-N 456.345 2.023 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@H](CC(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2256628361 HIXXNWXRYBGZEP-CYBMUJFWSA-N 452.386 2.235 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H](CC1CC1)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2256629151 QOGXWVUJMBMUTC-CYBMUJFWSA-N 452.386 2.139 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1COC[C@H]1CNC(=O)OC(C)(C)C 2267127699 KXFGPSUGPHTXCI-KGLIPLIRSA-N 467.397 2.020 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](CNC(=O)c2occc2B2OC(C)(C)C(C)(C)O2)CO1 2267496738 CWSHJLIHCHHRAS-HUUCEWRRSA-N 450.341 2.238 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@@H](NC(=O)c3csc(B4OC(C)(C)C(C)(C)O4)c3)[C@H]2C1 2267554151 WSDFMVQWHCXUAF-OAGGEKHMSA-N 464.393 2.411 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H]1COCCN(C(=O)OCc2ccccc2)C1 2267599317 NJVZDNOAEMJEBQ-HXUWFJFHSA-N 483.374 2.092 30 10 JEEE C=C(CS(=O)(=O)NC12CC(CNC(=O)OC(C)(C)C)(C1)O[C@H]2C)B1OC(C)(C)C(C)(C)O1 2267724752 OITTXVZLVCJFGK-VUZGARFFSA-N 472.413 2.308 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1NC(=O)[C@H](CO)CNC(=O)OC(C)(C)C 2268717616 LWFLOUGPWWLXAW-AWEZNQCLSA-N 450.341 2.066 30 10 JEEE CCc1nc(C(=O)N[C@H](COCc2ccccc2)C(=O)O)c(B2OC(C)(C)C(C)(C)O2)s1 2269062994 BUNKHFIDMCYWRW-OAHLLOKOSA-N 460.361 2.405 30 10 JEEE C[C@H](NC(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1F)C1(O)CN(C(=O)OC(C)(C)C)C1 2281783941 RIQWLVSSWQZMLH-AWEZNQCLSA-N 464.343 2.225 30 10 JEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CCN(C(=O)OC(C)(C)C)[C@@H](CCO)C1 2281800747 NGMKOSRLXFYTPF-INIZCTEOSA-N 464.368 2.331 30 10 JEEE C[C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2281981197 MQJMKSMKNDSHCO-CVEARBPZSA-N 462.400 2.485 30 10 JEEE CCc1nn(C)c(C(=O)N2C[C@@H]3C[C@@]3(NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2281986560 UNWODMKRAMVWBX-LFVRLGFBSA-N 460.384 2.021 30 10 JEEE Cn1nc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2F)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2282044267 SJFPRSNJYWWIAT-OLZOCXBDSA-N 486.781 2.450 30 10 JEEE C[C@H]1CN(C(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)C[C@@]1(C)CNC(=O)OC(C)(C)C 2282053800 XNYLPPJOHJMXRD-NPMXOYFQSA-N 462.400 2.342 30 10 JEEE Cn1ncc(C(=O)N2C[C@@H](NC(=O)OC(C)(C)C)C3(CCC3)C2)c1B1OC(C)(C)C(C)(C)O1 2282058524 VRDJDBLVXKOMEE-MRXNPFEDSA-N 460.384 2.239 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](O)CN1C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2282477534 RBGFOPTXDOZBGP-HZPDHXFCSA-N 464.343 2.225 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)[C@]2(CCOC2)C1 2282517192 QOCXQYUZXUKCOX-RCDICMHDSA-N 479.408 2.341 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(C)[C@H](CNC(=O)OC(C)(C)C)C1CC1 2282581102 CJCYHHIOSCHYLR-MRXNPFEDSA-N 462.400 2.403 30 10 JEEE CC(C)(C)OC(=O)NC[C@@]12CCC[C@@H]1CN(C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C2 2282581855 NUKRDBNMNHFERV-IQMFZBJNSA-N 460.384 2.476 30 10 JEEE Cc1csc(C(=O)N=c2nc(CNC(=O)OC(C)(C)C)[nH]n2C)c1B1OC(C)(C)C(C)(C)O1 2282607064 UQGNTYLKXNBUTJ-UHFFFAOYSA-N 477.396 2.183 30 10 JEEE CO[C@@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)[C@](C)(CNC(=O)OC(C)(C)C)C1 2282645566 JWWJOVHCJWRBIM-HJPURHCSSA-N 463.384 2.458 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(O)cc2O)C1 2282991818 KSMDWLLFPLDXRQ-AWEZNQCLSA-N 462.352 2.384 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2COC[C@@]2(C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2284020450 MBOVRDHVTKNNKM-WNSKOXEYSA-N 459.352 2.203 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N[C@H](COCc1ccccc1)CC(=O)O 2285192146 MEUYESALCYZGSY-IBGZPJMESA-N 454.332 2.479 30 10 JEEE COC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)(C)C)C2)n1N=Cc1ccc(O)c(OC)c1 2327876085 FTOQQMYSGRVGDA-AWEZNQCLSA-N 461.544 2.254 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CP(C)(C)=O)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2335466500 OEDWZFHNGKILEB-AWEZNQCLSA-N 468.300 2.230 30 10 JEEE CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2362576041 CBJUODZNACJMJA-AWEZNQCLSA-N 483.396 2.320 30 10 JEEE C=CCOc1ccccc1[C@@H]1c2c(nc(N3CCC[C@H](C(=O)OCC)C3)[nH]c2=O)NC(=O)[C@@H]1C#N 72445788 KFVCLNXQJOIIRG-WDYCEAGBSA-N 477.521 2.338 30 10 JEEE COc1ccc(OC)c([C@@H]2c3c(nc(NCc4ccc5c(c4)OCCO5)[nH]c3=O)NC(=O)[C@@H]2C#N)c1 72472406 SOVHZBNNALWSEV-UZLBHIALSA-N 489.488 2.394 30 10 JEEE N#C[C@@H](C(=O)CCNC(=O)/C=C\c1ccco1)c1nnc(N2CCOCC2)n1-c1ccccc1 97210942 RDHZZNNVQUJAQY-GWQNQTGSSA-N 460.494 2.093 30 10 JEEE CC(=O)[C@]1(O)CC[C@@H]2[C@H]3CCC4=C/C(=N/OCC(=O)N[C@@H](CO)C(=O)O)CC[C@]4(C)[C@@H]3CC[C@]21C 504531019 XPPSOAUERBQGOO-XIVFPDQSSA-N 490.597 2.204 30 10 JEEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 523316921 VWGPBAKNTKJMRY-UHFFFAOYSA-N 452.515 2.426 30 10 JEEE C=CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cc(OC)c(OCC)c(OC)c2)c1=O 523463128 RMZHEXXZJIIOLD-UHFFFAOYSA-N 454.548 2.384 30 10 JEEE C[C@@H](c1ccccc1)n1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cnn3ccccc23)c1=O 729669625 SCCAQIMUJWWIED-SFHVURJKSA-N 469.570 2.292 30 10 JEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C)c2cc(F)ccc2N2CCC(O)CC2)c1 1137125834 PXSOWMRSQQAFQZ-MRXNPFEDSA-N 459.543 2.189 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCC[C@@H](O)C1)[C@@H]1CCS(=O)(=O)C1 1286387557 GKJFVHRSUWOQBA-KBAYOESNSA-N 463.991 2.171 30 10 JEEE C#CCN(c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1286388689 UNGLVYWPVUHUNI-MOPGFXCFSA-N 474.583 2.158 30 10 JEEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCCN1CCC[C@@H]1CO 1286448330 SAPMZJVFBOOUNK-NHCUHLMSSA-N 490.649 2.283 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCOC(C)C 1286467873 VRHXURPFJWISQC-GOSISDBHSA-N 451.568 2.098 30 10 JEEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CC[C@@H](N2CCOCC2)C(F)(F)F)CC1 1286481623 HSBIRRGZRGMVDH-LJQANCHMSA-N 497.591 2.042 30 10 JEEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)Cc1ccccc1 1286508066 FMCGVGUUQNIBSM-LJQANCHMSA-N 463.629 2.004 30 10 JEEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)Cc2ccccc2C)CC1 1286509944 ZAABOMBBWNDNJR-OAQYLSRUSA-N 453.612 2.348 30 10 JEEE C=C(C)COCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)Cc1cnn(C)c1C 1286606189 IYQRVDHMDKPNOU-UHFFFAOYSA-N 462.558 2.463 30 10 JEEE C=C(Cn1c(C(=O)NC(CC)CC)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1)c1ccccc1 1286614872 DAKKVJAZGDYYFZ-HXUWFJFHSA-N 451.575 2.466 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1286784348 FIZCRDNNYJKYJE-LPHOPBHVSA-N 489.418 2.167 30 10 JEEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N(C)[C@H](C)c1cccc(O)c1 1286791081 SSTGJBSLHBPYMK-OAHLLOKOSA-N 454.556 2.475 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1286792037 KOXXDDFEXNHQCH-WIYYLYMNSA-N 489.020 2.360 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1286792155 OFIXYTYEXAZLPP-QFIPXVFZSA-N 482.629 2.325 30 10 JEEE CC(C)C[C@H](Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@@H](C#N)C1)N(C)C 1287329077 AQLHNRHTYZMHHJ-RTWAWAEBSA-N 467.622 2.157 30 10 JEEE C#CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN2CCOC[C@@H]2C1 1300339005 KGWLBHBLWQCPIH-FQEVSTJZSA-N 456.978 2.186 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1[C@H]1C[C@H](c2cccc(F)c2)C1)[C@@H]1CCS(=O)(=O)C1 1300478930 GYXQCUDNLAFXSE-MISYRCLQSA-N 473.574 2.301 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@](C)(O)c1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 1300488814 WKDRPHLDXAEBBC-CVDCTZTESA-N 488.013 2.471 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCN(C)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 1300495145 DKTLOCYOFDVVDV-CTNGQTDRSA-N 463.648 2.063 30 10 JEEE CO[C@@H]1COCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1300855408 FPBAIQIBSVFDRK-NJDAHSKKSA-N 473.599 2.272 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1300890255 GFOQWFSYCLHAIE-UWVAXJGDSA-N 493.655 2.264 30 10 JEEE C=CC[C@@H](Cn1c(N2CCN(S(C)(=O)=O)CC2)nnc1[C@]1(OCC)CCOC1)c1ccccc1 1301169043 ZMURUHOWIIZZKD-URXFXBBRSA-N 489.642 2.372 30 10 JEEE C=CCCCCn1c(N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1301198325 HAJWGRWGOMEXPI-DNQXCXABSA-N 474.606 2.490 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCOCC1 1301401812 HJJJELKNDIKRMG-QFIPXVFZSA-N 489.642 2.273 30 10 JEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N(C)[C@@H](C)c1ccc([S@@](C)=O)cc1 1301509253 DMIWVZSUVDIEHE-RTHCMUBDSA-N 469.615 2.377 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N(CC)C[C@@H]1CCCO1 1301588575 HPLQIHLXKDHAHJ-PXNSSMCTSA-N 462.572 2.397 30 10 JEEE C#CCN(C(=O)c1ccc([C@@]2(C)NC(=O)NC2=O)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 1303655678 IYYNYGFERWPCAJ-XMMPIXPASA-N 454.527 2.216 30 10 JEEE C[C@]1(C#N)CCCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](N2CCOCC2)C(F)(F)F)C1 1303934148 CFHDJIIZRJKERY-IIBYNOLFSA-N 492.506 2.319 30 10 JEEE C=CC[C@@H]1CCCC[C@H]1NCC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 1307923804 KBAFZQPGFKQWOB-YLJYHZDGSA-N 450.561 2.152 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2C[C@@]2(O)CCCC2(C)C)c1 1358903431 WQJFPEBCCWMBAC-SANMLTNESA-N 478.597 2.398 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1CCCNC(=O)C(C)C)[C@H]1CCS(=O)(=O)C1 1358959136 CLEKLJAVCBPFIN-IBGZPJMESA-N 457.600 2.043 30 10 JEEE C#CCN(c1nnc(CC2CCCC2)n1CCCNC(=O)c1cccc(O)c1)[C@H]1CCS(=O)(=O)C1 1358966078 HNFRBXXGHDMYKW-NRFANRHFSA-N 499.637 2.163 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1CCN(Cc2ccccc2)CC1 1358985093 PADRQXGYFVRAOY-NRFANRHFSA-N 482.654 2.263 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCOc1ccc(Cl)cn1 1359023203 CVWPHBCVZTXZGM-UHFFFAOYSA-N 493.955 2.405 30 10 JEEE C#CCN(CCOC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCCN1CCOC1=O 1359023955 BMLUNIIFNVPAIA-UHFFFAOYSA-N 490.605 2.321 30 10 JEEE C=C(C)COCCn1c(CC2CC2)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1359136024 XFMCBQVSPHNMTC-UHFFFAOYSA-N 463.579 2.473 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1359304883 MMNXNYWQGONLHF-QFIPXVFZSA-N 479.585 2.186 30 10 JEEE CC(C)C[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1)N(C)C 1359771833 FDHYBTJXVQPZRK-LEWJYISDSA-N 480.617 2.261 30 10 JEEE C=CCC1(NC(=O)CSCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)CCOCC1 1461427093 YRPMGKGOASZMRN-UHFFFAOYSA-N 458.584 2.398 30 10 JEEE Cc1nn(C)c(C)c1Cn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1492720095 FFEYUJJUHUEFPJ-UHFFFAOYSA-N 475.601 2.009 30 10 JEEE Cc1nn(C)c(N2CCN(c3nnc(C(=O)NC(C)C)n3C[C@@H]3CCCC3(C)C)CC2)c1C#N 1492726935 BNDBROBEJVJEBA-SFHVURJKSA-N 467.622 2.483 30 10 JEEE CN(CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(c2ccccc2C#N)CC1)CC(F)(F)F 1503611339 HYYLRWYGUTXBPS-SFHVURJKSA-N 490.534 2.312 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@H](C)OC)[C@H]1CCS(=O)(=O)C1 1507626325 NNSXHJPDLFJLNU-IKGGRYGDSA-N 450.536 2.219 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1CC(C)(C)OC)[C@H]1CCS(=O)(=O)C1 1507629042 ZNUGBAJZPZIJOA-KRWDZBQOSA-N 462.572 2.014 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC(C)(C)c1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1507631466 DOZBXVKMZCYEDM-UYAOXDASSA-N 472.611 2.395 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1ccc(C(C)(C)O)cc1)[C@H]1CCS(=O)(=O)C1 1507634845 NQWREOZSXUHDTH-QFIPXVFZSA-N 479.606 2.166 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCOC[C@H]1CCOC1 1507686378 BHHAWSXVTHBCED-GOSISDBHSA-N 450.543 2.095 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCC(=O)N1CCCCCC1 1507688041 VRRUBZCOXVUHCG-UHFFFAOYSA-N 461.570 2.444 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2C[C@@H]2CCCN2CC)CC1 1507740660 OPYGWIXKJPHBPS-QFIPXVFZSA-N 464.614 2.350 30 10 JEEE C#CCSCCn1c(COc2ccccc2OC)nnc1N1CCN(c2cnccn2)CC1 1507755726 CGQOTTINMVZPGM-UHFFFAOYSA-N 465.583 2.349 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(Cn2nc(C)cc2C)n1Cc1cccc(S(=O)(=O)NC)c1 1507770165 HXNGCESDRURACI-HSZRJFAPSA-N 467.599 2.088 30 10 JEEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1507785171 NJVPUOWEYGMAFR-HOTGVXAUSA-N 484.424 2.139 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](CC)C1 1507799802 SKSFYWGHSZPZHE-YRPNKDGESA-N 467.636 2.219 30 10 JEEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)C[C@@H]1COc2ccccc2O1 1507868057 DVRHJAMQIYASHL-VQIMIIECSA-N 498.005 2.030 30 10 JEEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 1507941970 AMQCLCISVZNRSA-OAHLLOKOSA-N 456.613 2.348 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2C[C@H](C)O[C@@H](COC)C2)cc1 1508101112 UDXMMNJFCWECPN-FBBABVLZSA-N 476.599 2.033 30 10 JEEE CCCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2n[nH]c(C)n2)CC1 1515045294 FVTVNUPBNCADRV-UHFFFAOYSA-N 477.573 2.141 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H](C)CN1CCN(CC)CC1 1538982863 KHZJLJXWYUXLIF-UXHICEINSA-N 472.659 2.080 30 10 JEEE C#CCCCCn1c(Cc2ccccn2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1539076674 UYGPUEFZSYBRJA-UHFFFAOYSA-N 477.613 2.008 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Cl)n1Cc1cnn(CCOC)c1)[C@H]1CCS(=O)(=O)C1 1539212129 SCFNXKQIBZLTIW-SFHVURJKSA-N 489.001 2.116 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1sccc1Br)[C@H]1CCS(=O)(=O)C1 1539216170 ONNOLBAZLLWWIV-AWEZNQCLSA-N 495.428 2.178 30 10 JEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CC1(N2CCOCC2)CCCCC1 1539273290 NYKYNXOLRABYRW-UHFFFAOYSA-N 480.638 2.378 30 10 JEEE C#CCN(CCOC)c1nnc(Cc2ccsc2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1539421792 YHMIAELOXVDIHD-UXHICEINSA-N 477.656 2.221 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCCN(C)c2ccccc2)CC1 1539466992 LCCHPFKZLWOHGI-UHFFFAOYSA-N 477.613 2.006 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H](C)c2ncc(C)s2)CC1 1539469249 PMAZFKRVHBEOJE-XDHUDOTRSA-N 486.642 2.465 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CC[S@@](=O)C(C)(C)C)CC1 1539474012 GZQPLIZYOCAZCP-UUWRZZSWSA-N 485.610 2.187 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@](C)(O)c2cc(C)oc2C)CC1 1539475687 MKECERAJUNTYBW-XMMPIXPASA-N 450.543 2.357 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(NC(=O)NC(C)C)cc2)CC1 1539480878 FRFXUWQJWFQTER-NRFANRHFSA-N 493.612 2.326 30 10 JEEE C#CCSCCn1c(CCc2ccccc2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1539525164 VMUBMFWHVIXBPQ-NRFANRHFSA-N 473.668 2.434 30 10 JEEE C#CCSCCn1c(N2CCN(C(=O)Cc3ccccc3C)CC2)nnc1[C@]1(OCC)CCOC1 1539530107 BNGYHAFBBTYOKU-SANMLTNESA-N 497.665 2.496 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCN(c2ncc(F)cn2)CC1 1539617074 UKZHSKYIGNMIOF-BJLQDIEVSA-N 475.569 2.239 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccccc2F)nnc1N1CCCN(S(C)(=O)=O)CC1 1539642815 SNFDKRQITIGMRK-PGRDOPGGSA-N 493.605 2.449 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1539647055 VCLKBXBWBPSNGB-KNKQGSTJSA-N 458.607 2.124 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C[C@H]2CCOC2)C1 1539751043 GKOKVPAVXDOOBW-XUVXKRRUSA-N 452.621 2.416 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCNC(=O)[C@@H]1CC 1540897795 SMQOYNWTGCNXCV-MOPGFXCFSA-N 475.615 2.351 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCSC2(CCCCC2)C1 1540902368 HUJZVVUDUOELQS-MRXNPFEDSA-N 453.634 2.086 30 10 JEEE COCCOCC(=O)N1CCC2(CC1)CN(c1ccc(C#N)c(C(F)(F)F)c1)C[C@H]2C(=O)N(C)C 1548379513 UPBKOHAEKDAZMY-FQEVSTJZSA-N 496.530 2.373 30 10 JEEE CN(C[C@@H]1CCCOC1)c1nnc(COc2ccc(C#N)cc2)n1CCCN1CCOCC1 1554235992 ASOXGESUVAVBBM-NRFANRHFSA-N 454.575 2.314 30 10 JEEE CNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cccnc2OC)CC1 1554437855 GCSVTZIGUNHCRL-UHFFFAOYSA-N 461.526 2.143 30 10 JEEE COc1ccc(Br)c(-c2nnc(N(C)C[C@H](C)C#N)n2CCCn2cc(CO)nn2)c1 1554803407 AKIKQNVTIPEJOQ-CQSZACIVSA-N 489.378 2.486 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@H](OCC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 1556457270 AQLWMJBGQRZJCJ-PMACEKPBSA-N 456.543 2.191 30 10 JEEE C=CCn1c(S)nc2cc(C(=O)NCCN3Cc4ccccc4OCC3=O)ccc2c1=O 1559031405 DUJVZOOFSGXNGA-UHFFFAOYSA-N 450.520 2.022 30 10 JEEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CCC(C)(C)C1CC1)[C@H]1CCS(=O)(=O)C1 1588035360 SMALGXXSQQFMLA-WMZHIEFXSA-N 464.632 2.383 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1CCCc1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 1588069986 VCTWCNXRBJKRQT-QFIPXVFZSA-N 496.637 2.467 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC(=O)NC2CCCCC2)CC1 1588761951 CGOUJTRKEKWYAI-UHFFFAOYSA-N 466.586 2.166 30 10 JEEE C=C(Cl)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC(=O)N(C)C[C@H]1C 1593884787 KINAWGAISSFZJG-HUUCEWRRSA-N 454.959 2.006 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCSC2(CCOCC2)C1 1595507123 XGHMXEQOFYYZOY-UHFFFAOYSA-N 473.599 2.367 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F 1595550329 COFBMNNSANSEAR-KRWDZBQOSA-N 491.474 2.482 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1595577409 RPBYETKQENZMKZ-FCHUYYIVSA-N 482.629 2.323 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CCN2CCSCC2)C1 1595743956 HYNJEPIZONRTAY-QGZVFWFLSA-N 462.645 2.100 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](N2CCOCC2)C(F)(F)F)C1 1595745188 QWUZSGUCTCDKKB-RBUKOAKNSA-N 483.539 2.184 30 10 JEEE CC(=O)N1CCN(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@@H](C(F)F)C2)CC1 1596297821 WOFDJJVCMQXUAT-HXUWFJFHSA-N 487.555 2.374 30 10 JEEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cc(Br)c(C)cc2OC)n1 1622097075 MJZHBRMEDHFCLV-UHFFFAOYSA-N 456.362 2.433 30 10 JEEE Cc1ccc(Cn2cccc(NC(=O)[C@H](C)NS(=O)(=O)c3cccc(C#N)c3)c2=O)cc1 1624276537 FKVVYCLUDQCGEI-KRWDZBQOSA-N 450.520 2.382 30 10 JEEE C#CCNS(=O)(=O)c1ccc(C(=O)N(C2CC2)[C@H](Cc2ccccc2)C(=O)OCC)cc1 1627004361 WOKMGLFZYOOZIE-JOCHJYFZSA-N 454.548 2.377 30 10 JEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1cccc(C(=O)N2CCSCC2)c1 1627050085 HUJJJPCTXKUITQ-HNNXBMFYSA-N 458.565 2.053 30 10 JEEE C#CC[C@H]1CCN(CC(=O)NCCN2C(=O)/C(=C\c3ccc4c(c3)OCO4)SC2=S)C1 1655562602 KCBZRONIQKZDAF-BKQORJHRSA-N 457.577 2.078 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)Nc3ccccn3)n2C[C@@](C)(O)CC)c1 1689868706 OZAZPVQECYSMCM-DEOSSOPVSA-N 461.526 2.143 30 10 JEEE C#CCN(c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCC)[C@@H]1CCS(=O)(=O)C1 1689987706 AZCMQLZHRTUVHA-QGZVFWFLSA-N 468.583 2.273 30 10 JEEE C#CCN(c1nnc(C2CCC2)n1C[C@@H](C)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1689989564 GXGCMQRLQUTCFP-NVXWUHKLSA-N 451.593 2.086 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1CCN(C)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1689993319 AVHQVSVIMARUHK-GOSISDBHSA-N 493.655 2.424 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCCOC3)n2C[C@H]2CCC[C@@H](O)C2)n1 1690109559 WBGOMKYYCPPNKO-TUNNFDKTSA-N 456.591 2.206 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC2(O)CCCCC2)CC1 1690124712 RXXPQRHADVKCJU-HXUWFJFHSA-N 488.633 2.037 30 10 JEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)c2cccs2)CC1 1690154970 BPQUCKZDXSBYGP-HNNXBMFYSA-N 481.669 2.416 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCNS(=O)(=O)CC 1690215708 AJAQZEVFFVGDPI-IEGUWTFLSA-N 494.662 2.370 30 10 JEEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1690451295 CMCHVJPSILYCIM-FPOVZHCZSA-N 480.617 2.271 30 10 JEEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC=C(Br)C1 1690464880 MJUDVVODEMEHDS-MRXNPFEDSA-N 474.425 2.456 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c(-c2cccn2C)nnc1N1CCN2C(=O)NC[C@@H]2C1)C(C)C 1690580678 CZWPJMNXKZXARS-TZIWHRDSSA-N 452.607 2.196 30 10 JEEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(C(=O)N2CCCC2)CC1 1690632738 NVOMPDQXHYYPAD-UHFFFAOYSA-N 472.615 2.220 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3cnn(C)c3)CC2)cc1 1690678238 PFAHLDRISSJIHC-UHFFFAOYSA-N 464.574 2.090 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(COc3ccccc3OC)n2CC2CCS(=O)(=O)CC2)C1 1690711482 BGCDARBXFVQVJQ-IBGZPJMESA-N 476.599 2.472 30 10 JEEE C=CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](C(=O)NC)C1 1690746794 KACRTRVLSZPGRK-ROUUACIJSA-N 494.662 2.468 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(OC)c(OC(F)F)c1 1705495035 JYTSKYSEJNGUMB-GOEBONIOSA-N 468.526 2.491 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CCCC3)n2CCC[C@@H]2NC(=O)NC2=O)c1 1705507448 BNVYPMJDTAGUDH-FQEVSTJZSA-N 477.569 2.055 30 10 JEEE C#CCN(c1nnc(CCCc2ccccc2)n1CCC1(O)CCOCC1)[C@H]1CCS(=O)(=O)C1 1705571070 WMDFCWOPVUJCBC-QFIPXVFZSA-N 486.638 2.012 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCCCO2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1705627371 FHAPAMJCXDDOMQ-TZIWHRDSSA-N 454.575 2.274 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCc2ccc(OC(F)(F)F)cc2)CC1 1705631906 DHTKVDNPNVNYAC-UHFFFAOYSA-N 464.492 2.313 30 10 JEEE C#CCSCCn1c(N2CCN(C(=O)NC(C)(C)C)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1705664842 CSCXXOHQLDLGEC-HSZRJFAPSA-N 478.663 2.315 30 10 JEEE C=C(C)Cn1c(N2CCC[C@H](CN(C)S(C)(=O)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1705728784 XFMCQVSENBKZBJ-WIYYLYMNSA-N 455.625 2.003 30 10 JEEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(=O)OCC)CC1 1705731921 IOPHPMDDFNLCPQ-UHFFFAOYSA-N 477.587 2.220 30 10 JEEE C=C(Cl)Cn1c(COc2ccc(C)cc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1705759999 WRHJQMZCCPRLIJ-UHFFFAOYSA-N 472.977 2.189 30 10 JEEE C=CCn1c(Cn2ccc3ccccc32)nnc1N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 1705892566 PAQOIBVITPHPEN-HXUWFJFHSA-N 472.615 2.344 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CC)CC1CC1 1705936426 QNRLQUOAORNVPS-GOSISDBHSA-N 483.635 2.424 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCC(N2CCCCC2=O)CC1 1705937619 ZDJKCMPDRRHWQA-UHFFFAOYSA-N 492.671 2.216 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1706069931 FKZANCQPWUEYLA-JKSUJKDBSA-N 474.495 2.401 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(C)c(Br)c2)n1CCN1CCCS1(=O)=O 1722376360 ZIJFPVZZEOQBKW-UHFFFAOYSA-N 476.400 2.124 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2OC)n1Cc1ccc(N2CCOCC2)nc1 1722377333 XDIOSEVOUJSVTG-UHFFFAOYSA-N 472.549 2.315 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccccc2OC)n1Cc1cccnc1N1CCOCC1 1722385702 JYGZRXFYHGKUFZ-UHFFFAOYSA-N 472.549 2.218 30 10 JEEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1ccc(C)n(C)c1=O 1722406043 UMELNDOPBLSONF-UHFFFAOYSA-N 467.599 2.062 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C(C)(F)F)cc2)CC1 1722436555 BGZMXJRRDMMDFX-GOSISDBHSA-N 463.554 2.095 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N(C)Cc1ccc(C(=O)NC)cc1 1722500584 CHMIZDQUTXLNJS-REWPJTCUSA-N 466.586 2.378 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccc(C)cc2)nnc1N1CCN(CC(=O)NCC)CC1 1722503381 KUWASFNCHAQJQD-PXDATVDWSA-N 482.629 2.405 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC(NC(=O)Nc2ccccc2)CC1 1722703111 VOKVYSFNPORWGA-LJQANCHMSA-N 453.547 2.222 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCCC(F)(F)F 1723611877 FSBMEIBOLDUNCA-UHFFFAOYSA-N 450.469 2.352 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1cnn(-c2ccccc2)c1 1723778131 CYBHQQLLPFSIII-HKUYNNGSSA-N 453.572 2.347 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2C[C@@]2(N(C)C)CCSC2)c1 1740562359 JDLMKMAUAYOLQM-DEOSSOPVSA-N 478.626 2.172 30 10 JEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(O)(Cc2ccc(F)cc2)CC1 1740591127 NAIFYXCTDWIHIB-LJQANCHMSA-N 460.575 2.307 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1740616343 ZEQNHYQGVDKLBW-CTNGQTDRSA-N 485.610 2.201 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCCN1CC)[C@@H]1CCS(=O)(=O)C1 1740618884 CULLZDQSBKGKSN-QZTJIDSGSA-N 463.007 2.105 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H](c1cccc(F)c1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1740625565 GRSRRRSRBWCKKU-CEMLEFRQSA-N 489.617 2.241 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccccc1OC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1740626762 MZNOJLXZPHIUBC-IRXDYDNUSA-N 484.500 2.356 30 10 JEEE C#CCN(c1nnc(COc2ccccc2OC)n1Cc1nc(C)cs1)[C@@H]1CCS(=O)(=O)C1 1740627372 HCBFCWNBHLYHRS-QGZVFWFLSA-N 487.607 2.306 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1CCc1cccnc1)[C@H]1CCS(=O)(=O)C1 1740628817 URSKKUPNHJTDSG-NRFANRHFSA-N 465.579 2.430 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCc1cn2ccccc2n1 1740630202 GQQBYKIAIRJJEX-UHFFFAOYSA-N 487.589 2.159 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2Cc2ccc(C)n(C)c2=O)CC1 1740690796 NVABBQVLPPZOBR-IBGZPJMESA-N 464.545 2.368 30 10 JEEE C=C(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1740783904 ZJSXPMZOMNIOHI-UHFFFAOYSA-N 469.615 2.368 30 10 JEEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccccc2F)C[C@@H]1C 1740821410 GMGSMZHZJRCYPD-QFBILLFUSA-N 499.012 2.218 30 10 JEEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C)C2(CCC2)C1 1740887453 IAQKIBCLFLIEDF-MOPGFXCFSA-N 467.636 2.220 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c(-c2noc3c2COCC3)nnc1N1CCO[C@H](C#N)C1)C(C)C 1740927346 TZLLFZNKSYODGC-UYAOXDASSA-N 467.574 2.433 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc3ccccc3o2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1740954290 HUJKWIJEXHRWIU-UHFFFAOYSA-N 486.598 2.244 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC[C@](C)(OC)CC1 1740958710 GLFLGVZPRPXIJD-VWLOTQADSA-N 479.585 2.373 30 10 JEEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(C)CCOc1ccccc1C 1740959409 UNRWQNRWZHZKQL-UHFFFAOYSA-N 452.515 2.132 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@H](OC)C1 1740986538 ZXJYRFWUOREZND-SFHVURJKSA-N 482.006 2.078 30 10 JEEE CC(C)C[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@H]1C)N(C)C 1741423844 AMNPNPWMJOOXEX-QUCCMNQESA-N 453.591 2.372 30 10 JEEE C[C@H]1CN(C(C)(C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCOCC2)C[C@@H](C)O1 1743196168 CERYXHOIVVYHDO-KDURUIRLSA-N 454.575 2.453 30 10 JEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(OC(C)(C)C)CC1 1748718806 SPSITASJMODFJP-IBGZPJMESA-N 467.636 2.198 30 10 JEEE C#CCN(c1nnc(COCC)n1CCC1CC(OC(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1748823949 GABPPADZCLEYER-JLAWEPINSA-N 452.621 2.425 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccc(C)cc1)N1CCCC1 1748962577 LSEFVAQELSGGOA-DHIUTWEWSA-N 485.654 2.412 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CCN(C)CCOC)CC1 1748983529 SAQCJRXJCQPGJU-UHFFFAOYSA-N 475.435 2.349 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@](C)(O)c2ccccc2)CC1 1749009250 HBXJUMJAOXSIPN-CPJSRVTESA-N 451.571 2.046 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2CC2(C(N)=O)CCCC2)CC1 1749019095 KQYOXQRSSKZVOC-UHFFFAOYSA-N 482.560 2.008 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)OCCOC)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1749055098 DZPPBESEKRLTHS-IHFIDZABSA-N 479.647 2.198 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(C)nn(C)c1C 1749538294 UKKPUMASBQNKDK-QFIPXVFZSA-N 499.641 2.202 30 10 JEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)c1sc(CC)nc1C 1749629912 KLGMFOZMCLDPJS-LSDHHAIUSA-N 454.622 2.322 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)CCCS(C)(=O)=O 1749655641 NVCATFRODWGVMG-OAHLLOKOSA-N 465.645 2.305 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(F)cc2Br)nnc1N(C)CCNC(=O)C(C)C 1749657554 ADQGAMYUDNQNSL-UHFFFAOYSA-N 481.370 2.357 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(Cc2c(CC)nn(C)c2Cl)CC1 1749666698 PYYYFBCOINVONZ-UHFFFAOYSA-N 498.035 2.222 30 10 JEEE C=CCNC(=O)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CC[C@@H](C(C)C)C1 1749677186 QREOWJCDUXDPLQ-JOCHJYFZSA-N 465.646 2.427 30 10 JEEE C=CCNC(=O)Cn1c(N2CCN(CC(C)C)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1749682287 QRTVVGCOAOKPPZ-KDURUIRLSA-N 475.638 2.129 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)C[C@H]2CCN(C(C)=O)C2)cc1 1749684562 ZOQOGOVLKNLTQN-CTNGQTDRSA-N 452.559 2.147 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@@H](OC)C(C)(C)C1 1749726778 DMYGKKVTVZIMMO-LJQANCHMSA-N 464.588 2.424 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cccc(CS(C)(=O)=O)c1 1760098828 AMPVTYAQLBGAAQ-FDDCHVKYSA-N 460.600 2.370 30 10 JEEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1760161929 RXTSJBPAXMFJQM-SJORKVTESA-N 451.593 2.387 30 10 JEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@H](C)Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 1760178798 ATEDBUWOPJRURW-QZTJIDSGSA-N 475.640 2.081 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1Cc1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1760191598 KLGXHVFLDLPGEL-IBGZPJMESA-N 469.567 2.445 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1Cc1cccnc1OC)[C@H]1CCS(=O)(=O)C1 1760191682 LQDIQTJKGPLPDQ-NRFANRHFSA-N 465.579 2.142 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1[C@H]1C[C@H](c2ccc(F)cc2)C1 1760219310 ARWJHJVGXJKVLW-BVSLBCMMSA-N 485.585 2.332 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCCN2C[C@@H](C)C[C@@H](C)C2)CC1 1760269998 RMCUXYZJVCZQSL-RZUBCFFCSA-N 456.635 2.116 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2F)n1CCNS(=O)(=O)Cc1ccon1 1760293239 RSEOJHCOWMUZNR-OAQYLSRUSA-N 458.519 2.184 30 10 JEEE C=C(Br)Cn1c(N2C[C@H](C)[C@@H](N3CCOCC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1760314050 IFHQVVMJAJLNPI-MDKPJZGXSA-N 484.439 2.384 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1760325968 SYTFBDLFOMEUIZ-ZVDOUQERSA-N 462.620 2.134 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CCCOC2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1760375150 GHNWJJZNYGVHLH-ZWKOTPCHSA-N 451.015 2.494 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1760519096 RNCNFGNDMDLUFV-UHFFFAOYSA-N 493.656 2.289 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CC[C@](C)(C(N)=O)C1 1760526202 HSDUGEXZSQKNRW-DEOSSOPVSA-N 454.575 2.293 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1760528231 WKMDPNXDSLXSLU-JOCHJYFZSA-N 456.572 2.212 30 10 JEEE C=CCOc1ccc(Cn2c(N(C)[C@@H]3CCS(=O)(=O)C3)nnc2[C@]2(OCC)CCOC2)cc1 1760531337 LTODDWBATYZATO-XXBNENTESA-N 476.599 2.167 30 10 JEEE CCCC[C@H](NC(=O)c1ccc2c(c1)C(=O)N(CC(=O)O)C2=O)C(=O)N[C@@H](C#N)c1ccc(C)cc1 1867648562 FPOFGGYMNHIJOH-SFTDATJTSA-N 490.516 2.345 30 10 JEEE N#Cc1nnn(-c2ccc(I)cc2)c1NC(=O)CNC(=O)c1ccccc1 1870152551 YJGMYZMWQHOEGO-UHFFFAOYSA-N 472.246 2.112 30 10 JEEE CCCCCCCCn1cc(OCC(=O)NCCCO)c(=O)cc1CN1CCN(CC)CC1 1870357082 YHDOGKLQYWZMMG-UHFFFAOYSA-N 464.651 2.224 30 10 JEEE C#CCOc1cn(CCCOCC)c(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1=O 1870559749 PQYHXSVESPXUIL-UHFFFAOYSA-N 467.566 2.333 30 10 JEEE CCCCCCCCCCNC(=O)Cc1nonc1OCC(=O)N=c1nc2nc(C)cc(C)n2[nH]1 1872651796 XSZQWUCJYBYOTL-UHFFFAOYSA-N 486.577 2.363 30 10 JEEE COc1ccc(N2C[C@@H](c3nnc(SCCO)n3/N=C/c3ccc(O)cc3O)CC2=O)cc1 1874197799 BCRMPACXWDXBGN-GIEPYWIESA-N 469.523 2.185 30 10 JEEE COc1ccc(N2C[C@@H](c3nnc(SCCO)n3/N=C/c3cccc(O)c3)CC2=O)cc1 1874198322 WOEVVZZNWCPBQP-OHHQFBAHSA-N 453.524 2.479 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)CSc2nnc(Cc3ccccc3[N+](=O)[O-])n2N)nc1C 1874550029 RKXOPWPXDDNUEC-UHFFFAOYSA-N 489.539 2.329 30 10 JEEE COc1nc(C)c(Br)c(C)c1C(=O)N1CCC(OCC#CCN2CCN(C)CC2)CC1 1889407265 WHYFKMKEWNHLHD-UHFFFAOYSA-N 493.446 2.342 30 10 JEEE CC(C)(C)OC(=O)N1CC(ONC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2Cl)C1 2255838613 IQBJALCTRWKIDR-UHFFFAOYSA-N 453.732 2.315 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)c2ccsc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1CO 2267460976 MSWMCKHTMAQZJL-ZBFHGGJFSA-N 466.409 2.395 30 10 JEEE C[C@@H]1C[C@@H](NC(=O)C(F)(F)F)CCN1S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2267472175 ZCKBOOAHVIQKIN-NEPJUHHUSA-N 482.355 2.267 30 10 JEEE CC(C)(C)OC(=O)NCCO[C@H]1CCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)C1 2267559460 PHTUFGRQYVDWAG-HNNXBMFYSA-N 450.341 2.335 30 10 JEEE CC(C)(C)OC(=O)N1CC(F)(CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2O)C1 2267682809 NCEPESVMFVNWBH-UHFFFAOYSA-N 450.316 2.380 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](O)C[C@H]1C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)s1 2268645294 FHYPDUBKAPAXKQ-ZBFHGGJFSA-N 466.409 2.424 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](O)CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2281772132 HMGPOWDWVVMOLO-CVEARBPZSA-N 464.343 2.225 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](NC(=O)c2c(F)cccc2B2OC(C)(C)C(C)(C)O2)C1 2281781228 GXBWKSGHGKZUCB-SJORKVTESA-N 464.343 2.225 30 10 JEEE Cn1ncc(C(=O)NC[C@H]2CCCN(C(=O)OC(C)(C)C)CC2)c1B1OC(C)(C)C(C)(C)O1 2281827557 XCYUZXHMKSLOJT-INIZCTEOSA-N 462.400 2.486 30 10 JEEE Cn1cc(C(=O)N2CC3(CCC[C@H]3NC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2282034538 JKIGPEABLRRQKZ-MRXNPFEDSA-N 460.384 2.239 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1S(=O)(=O)N[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2282498252 AUXSIMYPXJXMSY-DZFIZOCASA-N 478.420 2.438 30 10 JEEE CN(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)[C@@H]1CCC[C@H]1CNC(=O)OC(C)(C)C 2282536112 YENDYHQMXGKOKD-DOTOQJQBSA-N 462.400 2.485 30 10 JEEE Cn1ncc(C(=O)N[C@H]2C[C@H](NC(=O)OC(C)(C)C)C23CCC3)c1B1OC(C)(C)C(C)(C)O1 2282568804 IMLQHLMMOFERSH-HOTGVXAUSA-N 460.384 2.285 30 10 JEEE Cc1ccnc(C(=O)N=c2nc(CNC(=O)OC(C)(C)C)[nH]s2)c1B1OC(C)(C)C(C)(C)O1 2282572735 PCZQOLGLMKUTCT-UHFFFAOYSA-N 475.380 2.240 30 10 JEEE CC(C)(C)OC(=O)NC1CC2(C1)CN(S(=O)(=O)c1cncc(B3OC(C)(C)C(C)(C)O3)c1)C2 2282830319 RVFMKMDTZNBTLD-UHFFFAOYSA-N 479.408 2.059 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1COCC[C@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2283992183 YHLYSNOYOXFFSF-ZBFHGGJFSA-N 465.331 2.388 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@H](C(=O)NCc2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2284059982 JTNMBQXBBFNQFP-GOSISDBHSA-N 460.380 2.486 30 10 JEEE CN(CC1(O)CN(C(=O)OC(C)(C)C)C1)C(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1F 2287303492 YRPZIZXRLTZDCB-UHFFFAOYSA-N 464.343 2.179 30 10 JEEE CCS(=O)(=O)N1CCC([C@H]2CN(c3ccc(C#N)c(C(F)(F)F)c3)C[C@H]2C(=O)NC)CC1 2297650306 LEFHFGBTRGKWAQ-QZTJIDSGSA-N 472.533 2.437 30 10 JEEE O=c1c(Br)c(NN=Cc2ccc(O)c(Cl)c2)cnn1[C@H]1CCS(=O)(=O)C1 2322659737 AYCRFWFMOCGFFA-JTQLQIEISA-N 461.725 2.170 30 10 JEEE COc1cc(OC)c(OC)cc1C=Nn1c(SCCCO)nnc1[C@H]1CC(=O)N(C(C)C)C1 2329039923 MXEJSFCXEZSIKG-INIZCTEOSA-N 477.587 2.385 30 10 JEEE CC(C)(C)OC(=O)N1CC(F)(F)[C@@](C)(NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2336407992 NRTNGJJMOULUQX-IBGZPJMESA-N 456.299 2.083 30 10 JEEE Cc1scc(C(=O)N2C[C@@H](O)C[C@H]2CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2343500837 WBULSOABNWBTOB-GJZGRUSLSA-N 466.409 2.456 30 10 JEEE Cc1scc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H](O)C2)c1B1OC(C)(C)C(C)(C)O1 2343518406 BXBCTPSZJYZWIT-HNNXBMFYSA-N 466.409 2.410 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]2C[C@H]12 2359267840 HHMSINOXNPEYEA-HYVNUMGLSA-N 460.384 2.330 30 10 JEEE COc1nc(O[C@@H]2CN(C(=O)OC(C)(C)C)[C@@H]3COC[C@H]23)ccc1B1OC(C)(C)C(C)(C)O1 2365374787 MYVWKVMPEIFBKL-USXIJHARSA-N 462.352 2.403 30 10 JEEE COc1ccc(C(=O)NC[C@H](CNC(=O)OC(C)(C)C)OC)cc1B1OC(C)(C)C(C)(C)O1 2365425214 WPNUKFOIJWKRIO-MRXNPFEDSA-N 464.368 2.264 30 10 JEEE N#Cc1cccc(NC(=O)N[C@H]2CO[C@@H]3[C@@H](n4nnnc4Oc4ccc(-n5ccnc5)cc4)CO[C@H]23)c1 4147846 SUSMVMGQHSSYJK-FNAHDJPLSA-N 499.491 2.052 30 10 JEEE in-vitro COc1ccc(OC)c([C@@H]2/C(=C(/O)c3ccc([N+](=O)[O-])cc3)C(=O)C(=O)N2CCOCCO)c1 102562240 JCRVIHDCGXIRPK-GOBJLOIFSA-N 472.450 2.043 30 10 JEEE CC(=O)O[C@H](C)[C@](C)(O)C(=O)O[C@@H]1CC[C@]2(C)CC(=O)C(C(C)(C)O)=C[C@H]2[C@]1(C)OC(C)=O 257371519 SJHSSSTUOYMEHM-GRLMYRJTSA-N 468.543 2.009 30 10 JEEE C[C@@H]1CN(c2ccc(NC(=O)C(=O)NC3CCN(c4ccc(C#N)cn4)CC3)cc2)C[C@@H](C)O1 727623367 GTEAGWGWPDRYND-QZTJIDSGSA-N 462.554 2.291 30 10 JEEE C#Cc1cccc(-n2c(=C(C#N)C(=O)NC3CCCC3)sc(=Cc3cnn4ccccc34)c2=O)c1 729672517 RDCGKFMVNRXPLC-UHFFFAOYSA-N 479.565 2.090 30 10 JEEE C#CC[C@@H](O)CNC(=O)[C@H](CCC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 757474016 GCRACTBGVCZDKP-ZHRRBRCNSA-N 450.491 2.259 30 10 JEEE O=C(CN1C(=O)/C(=N\O)c2ccccc21)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 953082357 SSQWTZIXSLZHKV-PLRJNAJWSA-N 477.399 2.487 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)ccc1F 1127911642 JMUBQFUSSIFVQP-LJQANCHMSA-N 456.499 2.087 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCCO3)n2C[C@H]2CCCN2CCCO)c1 1286311563 NSTGFQWZAODEQX-PKTZIBPZSA-N 480.613 2.423 30 10 JEEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC2(CC1)CNC(=O)C2 1286353441 WLDUIWDAKYMVBM-SFHVURJKSA-N 472.590 2.106 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@H](F)COC)[C@H]1CCS(=O)(=O)C1 1286385254 LVGQEHAKCHMUIW-BBWFWOEESA-N 468.526 2.168 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H](C)Oc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1286387194 OTICLASZFZRFCP-MOPGFXCFSA-N 483.594 2.386 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1CC(C)(C)c1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1286389533 LRGYIYHACMQMTF-QGZVFWFLSA-N 468.558 2.479 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CCSCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1286390929 AQYAEDCERNLYIS-INIZCTEOSA-N 473.546 2.186 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1(O)CCN(C(C)C)CC1 1286423290 IQBGRTTYDIFWRM-UHFFFAOYSA-N 463.582 2.415 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2)CC1 1286546132 GNZHMQAWLXKGSR-DYXWJJEUSA-N 474.631 2.196 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1286563881 RNZQMFZIHSCSLX-DFQSSKMNSA-N 467.636 2.361 30 10 JEEE C=C(C)COCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1286606029 DXTFGVHCTWIBLF-IBGZPJMESA-N 479.585 2.089 30 10 JEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1286610760 AZGOAODIEBFBIN-UHFFFAOYSA-N 458.607 2.222 30 10 JEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 1286692755 HMXBXPTUSHNDAQ-MAUKXSAKSA-N 479.582 2.394 30 10 JEEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2cc(F)ccc2C1 1286831992 NURXIXGQQBULNG-IBGZPJMESA-N 481.619 2.232 30 10 JEEE CCN(CC)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1295526925 AOZOOBHIAHAXKC-UHFFFAOYSA-N 461.574 2.135 30 10 JEEE C#CCSCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1300743265 KLMDGLGYEKXQTG-INIZCTEOSA-N 473.599 2.394 30 10 JEEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1Cc1ccccc1 1300764642 ZIUVTYHZBCCXAC-SFTDATJTSA-N 489.667 2.189 30 10 JEEE C=C(Br)Cn1c(N2CC[C@H](OCCOC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1300861475 JAGGHLUXIFEZRD-QFBILLFUSA-N 459.385 2.469 30 10 JEEE C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1300930366 APPXGNBOSCYWCV-ZDUSSCGKSA-N 457.398 2.377 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(Cl)c(OC)c1)C1CC1 1301326685 GCBBVJPBENAAKD-IBGZPJMESA-N 482.006 2.476 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCc2nc(O)c(C#N)cc2C1)C(C)C 1301367493 OWFWZAUQOJOUMW-YADHBBJMSA-N 490.612 2.463 30 10 JEEE C=CCNC(=O)Cn1c(N2CCCC[C@@H](S(C)(=O)=O)C2)nnc1C1(c2ccccc2)CCC1 1301520142 URGWFCSQGZQTCS-HXUWFJFHSA-N 471.627 2.454 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1301576678 XSRKCECDNLLWDA-NRFANRHFSA-N 481.525 2.006 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1301587369 NXRRMUQDQQFURB-VQTJNVASSA-N 482.553 2.132 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCCn1cc(Br)cn1 1303848411 HUMBIMCGJIEXQR-RDTXWAMCSA-N 499.439 2.068 30 10 JEEE N#C[C@H]1CSCCN1C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 1357871154 BAQYFOPSZCZAFG-ZFWWWQNUSA-N 458.403 2.317 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCS(=O)(=O)N(C)C 1359020131 RWLYVKHOJOSJRK-MRXNPFEDSA-N 465.645 2.109 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2CCNC(=O)OC(C)(C)C)CC1 1359036602 BDVQFXVFXHQZTG-UHFFFAOYSA-N 454.575 2.157 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(NS(C)(=O)=O)CC1 1359094249 YVNBVROYRLXXGN-FXAWDEMLSA-N 490.586 2.353 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCOC1 1359263487 CKYPJHXBEMTAGJ-MJGOQNOKSA-N 481.644 2.292 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc3cccnc23)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1359329552 MPJOSPAQXZFSOJ-LJQANCHMSA-N 482.610 2.399 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1359330241 LRAXFUBHFJKKLP-IBGZPJMESA-N 470.603 2.066 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)Cc1ccoc1 1359332925 KLHLDPSTCSVHOR-UHFFFAOYSA-N 471.587 2.282 30 10 JEEE C[C@H](C#N)CN(C)c1nnc(CNC(=O)c2cccs2)n1Cc1cccc(-n2cncn2)c1 1359476637 IDXMYCYMLATPQB-MRXNPFEDSA-N 461.555 2.494 30 10 JEEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@@H](C(=O)NCCC(=O)OC)CS[C@@H]1C 1450969658 UWWHXZOBNJHASZ-OWCLPIDISA-N 457.593 2.205 30 10 JEEE C#CC1(O)CCN(C(=O)[C@H](Cc2cn(Cc3ccccc3)cn2)NC(=O)OC(C)(C)C)CC1 1470366448 OXNVNYJRTKNGSF-NRFANRHFSA-N 452.555 2.354 30 10 JEEE C#CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1507564526 RLSIACREWJWNAK-ROUUACIJSA-N 483.635 2.259 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1CCc1nccc(C(F)(F)F)n1)[C@H]1CCS(=O)(=O)C1 1507622813 MCHLJXGFQYVGFG-AWEZNQCLSA-N 470.521 2.254 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1Cc1c(CC)nn(C)c1CC)[C@H]1CCS(=O)(=O)C1 1507626232 DOKRMBJKMYMOFL-FQEVSTJZSA-N 491.621 2.350 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccccc1CN1CC[C@H](O)C1 1507676008 IGKFAGQKURNCBM-SDHOMARFSA-N 477.609 2.080 30 10 JEEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCn1cc([C@@H]2CCOC2)cn1 1507691491 IJLPRSVZPBRSTR-TZIWHRDSSA-N 499.616 2.447 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H]2CC(F)(F)CO2)CC1 1507716888 VSZABYQLWVPVAS-LJQANCHMSA-N 458.513 2.327 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CC(=O)N(C)Cc2ccccc2)CC1 1507738973 JTHZKNKOXUHXRV-QFIPXVFZSA-N 478.597 2.144 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CCCN2CCCCCC2=O)CC1 1507739231 BYHCYQARNRKXNG-UHFFFAOYSA-N 497.669 2.392 30 10 JEEE C#CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)CCn1cccn1 1507752015 RQSLZOHAKOBHLT-UHFFFAOYSA-N 462.583 2.374 30 10 JEEE C#CCSCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CC[C@H](C(=O)OC)C1 1507752474 YKZIBOJIPPYHAR-KRWDZBQOSA-N 480.594 2.431 30 10 JEEE C=C(C)COCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1507845841 REKXHPZSPALTLF-UHFFFAOYSA-N 479.560 2.421 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC(N2CCCNC2=O)CC1 1508071524 ABHVOFQQHTUTBF-QGZVFWFLSA-N 485.564 2.244 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCO[C@]2(CCOC2)C1 1508071946 CBPYCSLBXASJIK-HOYKHHGWSA-N 471.558 2.115 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2csc(-c3ccco3)n2)C1 1508118107 WRTGYNYVNIPTAF-GOEBONIOSA-N 478.600 2.434 30 10 JEEE CC(=O)NC[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2CCN(C(C)=O)CC2)C1 1508358862 HCWYBFCDELSVOB-JOCHJYFZSA-N 463.586 2.428 30 10 JEEE CCN(CC)[C@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1515599176 GAAPMIGZVLIPKT-NFBKMPQASA-N 499.685 2.104 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1CCCNS(C)(=O)=O 1538983721 VXRVAWTUDXCMPF-LBPRGKRZSA-N 458.357 2.244 30 10 JEEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1539097085 BFYPKGBCTBGZFR-SJORKVTESA-N 455.515 2.319 30 10 JEEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1539176934 WGKWBTOGGUEOLU-LJQANCHMSA-N 492.550 2.175 30 10 JEEE C#CCN(c1nnc(COc2ccc(Br)cc2)n1CC=C)[C@@H]1CCS(=O)(=O)C1 1539231304 UVJTYKHHRZGIJI-MRXNPFEDSA-N 465.373 2.432 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2CC[C@@H](N2CCOCC2)C(F)(F)F)CC1 1539453137 DOFWCVDRVRMGJZ-OAQYLSRUSA-N 494.537 2.416 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccc(OC)cc3)n2Cc2cc(C)nn2C)CC1 1539484208 HCVZXILPTSPPMJ-UHFFFAOYSA-N 475.597 2.128 30 10 JEEE C#CCSCCn1c(Cc2cccnc2)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 1539519036 AHMIIKZDJJZAAI-KRWDZBQOSA-N 470.624 2.475 30 10 JEEE C=CC1CCN(c2nnc(Cc3csc(C)n3)n2CCNS(=O)(=O)Cc2ccon2)CC1 1539894536 KLVHCISQFAJVMJ-UHFFFAOYSA-N 477.616 2.144 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1539931187 HWBIFCRYLKZWFS-IRXDYDNUSA-N 460.579 2.125 30 10 JEEE C=CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1540857654 KPXOLMONCRFUEE-UXHICEINSA-N 487.649 2.321 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](Oc2ccccc2)C1 1540861857 JIYPPNOOGBQHQV-IBGZPJMESA-N 461.526 2.275 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC(N(C)C(C)=O)CC1 1540864802 LIHVSHLCGBDYPB-UHFFFAOYSA-N 462.501 2.296 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1540865861 VBQPRKYXOPOGAS-DJJJIMSYSA-N 482.404 2.456 30 10 JEEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)Cc1cnc(C(C)C)nc1 1540870205 HBDNHSHEDQYRMR-UHFFFAOYSA-N 490.616 2.304 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2(C(N)=O)CCCC2)C1 1540885188 DDMMWANKMDQGOO-GOSISDBHSA-N 473.599 2.176 30 10 JEEE CN(C)C(=O)[C@H]1CC2(CCN(S(C)(=O)=O)CC2)CN1c1ccc(C#N)c(C(F)(F)F)c1 1548381917 METICGBXHUIPIR-QGZVFWFLSA-N 458.506 2.286 30 10 JEEE COCC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCC(C)CC2)CC1 1555206223 HEGMZIJOSMQGJD-UHFFFAOYSA-N 465.602 2.280 30 10 JEEE C#C[C@H](NC(=O)N1CCN([C@H]2CCCN(c3cc(C)nn3C)C2=O)CC1)c1ccc(F)cc1 1564995666 DXISECDDXQTXRU-SFTDATJTSA-N 452.534 2.065 30 10 JEEE COc1ccc(CC(=O)Nc2ccccc2O[C@@H](C)C#N)cc1S(=O)(=O)N1CCOCC1 1583239913 FBPNIIPGPXZHRW-INIZCTEOSA-N 459.524 2.188 30 10 JEEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1587898156 IPJIJCJGTNXWMI-VXKWHMMOSA-N 487.626 2.068 30 10 JEEE C#CCN(c1nnc(COc2ccccc2OC)n1Cc1cnc(C)s1)[C@H]1CCS(=O)(=O)C1 1588069125 HRBBVLAAPRBMKF-KRWDZBQOSA-N 487.607 2.306 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@]1(N(C)C)CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1588073773 DKUTUNHVXKUAHN-VAWZGJIGSA-N 463.648 2.267 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CC2CCN(Cc3cccs3)CC2)CC1 1588733157 OQCALEWIMUZMQL-UHFFFAOYSA-N 469.659 2.145 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CC(C)(C)N2CCC[C@H](C)C2)CC1 1588930572 ZGPXVMWIBJAPGA-FPOVZHCZSA-N 456.635 2.258 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CCCN(C)C(=O)OC(C)(C)C)CC1 1588954611 IUDQORGCQPVINZ-UHFFFAOYSA-N 495.628 2.487 30 10 JEEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(N(C)C(C)=O)CC1 1589484433 SRZQTVXXXOALCK-RDJZCZTQSA-N 456.385 2.358 30 10 JEEE C=CCNC(=O)Cn1c(N2CC[C@@H](CCOC)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1595602422 JQUMAPFFPPDKFX-OKZBNKHCSA-N 462.595 2.214 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCC(N2CCCC2=O)CC1 1595778249 XLZJNFXFEWNWNN-UHFFFAOYSA-N 473.599 2.146 30 10 JEEE C#CCN1CCC(NC(=O)c2ccc(Br)c(S(=O)(=O)NC(C)(C)C)c2)CC1 1596609713 FCMSSLANBABMGP-UHFFFAOYSA-N 456.406 2.353 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CC[C@H](C)N1CCCCC1 1608578860 HYTFZXFOTYYVKQ-PMACEKPBSA-N 494.648 2.058 30 10 JEEE CCS(=O)(=O)N(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)O[C@H](C2CC2)C1 1617345726 BIRAXCDYJILBNQ-UWJYYQICSA-N 472.615 2.492 30 10 JEEE C=C1CCC(CNC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C/c2ccccc2)CC1 1644303098 ZWEHRLLBIBBKIA-IURSYISVSA-N 454.614 2.243 30 10 JEEE Cc1c(Br)c(C)n(NC(=O)c2ccc(=O)n(-c3ccccc3F)n2)c(=O)c1C#N 1654530590 AXKUMALGYWNHRG-UHFFFAOYSA-N 458.247 2.168 30 10 JEEE CCOC(=O)c1c(S(=O)(=O)N2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)n[nH]c1C 1668971754 HERCUGRYZDUAFK-MRXNPFEDSA-N 451.936 2.119 30 10 JEEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H](c2ccc(Cl)cc2)[C@H]2CN(C)CCO2)n1 1685967657 SPKCLWWEFVXFRY-YADHBBJMSA-N 459.978 2.400 30 10 JEEE C#CCCCCn1c(COc2ccc(OC)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1689904345 SJXSWIPNSYNOOR-UHFFFAOYSA-N 461.588 2.141 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2CCSC2(C)C)n1 1690109122 HNDLBNDVZABOSI-IEBWSBKVSA-N 471.631 2.244 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2Cc2ncnn2C(C)(C)C)CC1 1690117810 WPJSVWAGCKSKHE-UHFFFAOYSA-N 464.574 2.112 30 10 JEEE C#CCN1CCN(c2nnc(-c3noc4c3COCC4)n2C[C@@H](CC)NC(=O)OC(C)(C)C)CC1 1690122274 MIPMJCDGPDIMTK-QGZVFWFLSA-N 485.589 2.064 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2C[C@]2(O)CCC[C@@H]2C)CC1 1690148633 NRIFPOOSNAIAKF-AFMDSPMNSA-N 465.598 2.394 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2CC2C[C@H](C)O[C@@H](C)C2)CC1 1690152559 PIKQZOATIQLTFT-ROUUACIJSA-N 498.653 2.439 30 10 JEEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1690220392 XSNGLNFLUBDYDV-MRXNPFEDSA-N 496.410 2.344 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1690242638 AFROVTPGNWRSOR-SIKLNZKXSA-N 455.607 2.245 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(CC)s1)C1CC1 1690545225 LYIJHOOIKFXNJP-SFHVURJKSA-N 451.618 2.438 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1690675890 ISAZAKYVMRSBGV-NRFANRHFSA-N 465.558 2.088 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](c2ccccc2)C[C@@H]1C 1690723991 FWNCYVVCGKHXLE-DFQSSKMNSA-N 478.640 2.163 30 10 JEEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCC(N(C)C(=O)OCC)CC1 1690749380 AURJSTKTGIVXPE-UHFFFAOYSA-N 450.609 2.377 30 10 JEEE CCn1nc(-c2nnc(N(CCC#N)CCOC)n2CC2CCOCC2)c2ccccc2c1=O 1695900289 DKNCFEYCSYZEDW-UHFFFAOYSA-N 465.558 2.468 30 10 JEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2CCN(Cc3ccccc3)[C@@H]21 1705525187 ZZKQGDFXJCPUBJ-RCZSKKKRSA-N 456.616 2.360 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1C[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1705559512 BSPPXAYEMWLYPH-ZCNNSNEGSA-N 488.610 2.480 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@H](C)c1ncc(C)s1)[C@H]1CCS(=O)(=O)C1 1705568545 POJJTRVJFYNULZ-BEFAXECRSA-N 487.655 2.335 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1CC[S@@](=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1705571229 WZCDEXQSONUHCP-PLTNMMHCSA-N 476.668 2.351 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](Nc2ccccc2)C1 1705754636 CFBCLLJMNFKOMP-MOPGFXCFSA-N 481.022 2.444 30 10 JEEE C=CCn1c(-c2c[nH]c3ccccc23)nnc1N1CCN([C@H](C)C(=O)NCCCOC)CC1 1705889526 CBZDRJDPNAAGCS-GOSISDBHSA-N 451.575 2.276 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@H](N2CCCC2)C1 1705894685 HJWLPZSUBROHPU-FQEVSTJZSA-N 486.020 2.228 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1705896351 JWGGSPJXZYAQKX-QFIPXVFZSA-N 489.418 2.311 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCO[C@H](c3cccc(F)c3)C2)nnc1[C@]1(OCC)CCOC1 1705938570 CLZPEGVNXNZBAY-REWPJTCUSA-N 494.589 2.248 30 10 JEEE CCN1CCN(CCCn2c(Cc3ccc(Cl)cc3)nnc2N2CCO[C@H](C#N)C2)CC1 1710300648 GFOGIJMBZISWCS-OAQYLSRUSA-N 458.010 2.279 30 10 JEEE COCC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1712120410 DRLUIYKXRBCTEV-UHFFFAOYSA-N 465.602 2.234 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cnccc1OC 1712442731 HJMLQQJWQCAKGA-FQEVSTJZSA-N 496.593 2.157 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2CC[C@H]2COCCO2)c1 1722306519 BNGWHQQDQILGBZ-QFIPXVFZSA-N 460.538 2.126 30 10 JEEE C#CCN(c1nnc(C2CCC2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1722367627 NBAOTFZLDHGAOZ-WMZOPIPTSA-N 465.620 2.428 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1cnccc1OC)[C@@H]1CCS(=O)(=O)C1 1722371984 ZWERUQBKALPPCT-SFHLNBCPSA-N 487.626 2.275 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1([S@](C)=O)CC1 1722426402 BGSYESXVKOOHBF-IQVDJAOASA-N 465.620 2.347 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CC2(C(=O)N(C)C)CCCC2)CC1 1722447336 HZIMYLKYNSLYON-FQEVSTJZSA-N 470.618 2.134 30 10 JEEE C=C(C)COCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1722529956 IZJFTFDNRXSPGX-UHFFFAOYSA-N 451.531 2.133 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CC[C@@H](CCOC)C1 1722698450 YVEQGUIUTWLEOZ-SFHVURJKSA-N 479.585 2.401 30 10 JEEE C=CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1722738214 CTVAVNNOKFMIQC-YJBOKZPZSA-N 450.586 2.333 30 10 JEEE CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1729204693 BILORTTZSOHVDB-UHFFFAOYSA-N 479.610 2.277 30 10 JEEE CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](c2cccs2)N(C)C)CCO1 1729679452 HTJBKGSXIFVDTK-RTBURBONSA-N 465.583 2.132 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(=O)N(C)C1CCCCC1 1740538170 DJTIFULTPBBIMI-GOSISDBHSA-N 486.642 2.444 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1cccnc1OCCOC 1740546386 HOHVVXSSLQZCNT-QGZVFWFLSA-N 473.537 2.118 30 10 JEEE C#CCCCCn1c(-c2ccc[nH]2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1740569446 KKSNBWLWTXKWDG-UHFFFAOYSA-N 451.575 2.017 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1CCN1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 1740620405 WIMJNDOLMHLHBU-LJQANCHMSA-N 491.564 2.435 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCc1ccc(F)c(F)c1F)[C@H]1CCS(=O)(=O)C1 1740626119 JPNWHPJKCDGFHN-SJORKVTESA-N 482.528 2.459 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCOc1ccc(F)c(F)c1)[C@H]1CCS(=O)(=O)C1 1740629295 INXNFWNQHNXRQB-HNAYVOBHSA-N 466.510 2.114 30 10 JEEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCN(C)CC(F)(F)F 1740657809 YTSQSGDPIFYHCY-UHFFFAOYSA-N 474.535 2.409 30 10 JEEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCNC(=O)c1cccc(O)c1 1740669195 QUUMNLOGUJVSLS-UHFFFAOYSA-N 495.609 2.223 30 10 JEEE C#CCN(CCOC)c1nnc(Cc2ccsc2)n1CC1(NC(=O)OC(C)(C)C)COC1 1740686001 CPTDNTXTHCZOOQ-UHFFFAOYSA-N 461.588 2.310 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](c1cccc(F)c1)N(C)C 1740726171 YSPWLFJUNOFNFI-GTCCEBARSA-N 462.595 2.322 30 10 JEEE C=CCCCn1c(N2CCN(S(C)(=O)=O)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740881401 GEHGKWGFXPFLRT-CALCHBBNSA-N 468.624 2.097 30 10 JEEE CC(C)OC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCSC2)CCO1 1741745642 CXKQQGHNTIRCHR-REWPJTCUSA-N 473.599 2.227 30 10 JEEE CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1745477775 FMUCVVTZYYDJNG-GOSISDBHSA-N 451.575 2.318 30 10 JEEE CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(OC(C)(C)C)CC1 1748298150 ASKFXRVOYSCPBL-UHFFFAOYSA-N 476.603 2.062 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCn1cc(Br)cn1 1748665883 WNJFEVXNLDLTLW-AWEZNQCLSA-N 491.419 2.355 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCC(=O)NC1CC1 1748673385 GNZUZESURQWDJU-SJLPKXTDSA-N 460.579 2.103 30 10 JEEE C#CCCCn1c(C2CCCC2)nnc1N1C[C@@H]2[C@@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1748751241 UTXMNACPTHCMCF-QYZOEREBSA-N 477.631 2.476 30 10 JEEE C#CCCCn1c(Cc2csc(C)n2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1748754969 BNDQFEGQRYCKQT-UHFFFAOYSA-N 450.634 2.298 30 10 JEEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCC(S(=O)(=O)c2ccccc2)CC1 1748757453 CKHKDJHNIRDYSW-UHFFFAOYSA-N 455.584 2.257 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1Cc1cccc(Br)n1)[C@@H]1CCS(=O)(=O)C1 1748817557 MHLSEDFJQJQQSJ-MRXNPFEDSA-N 466.405 2.309 30 10 JEEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1Cc1cccc(C(=O)NCCC)c1 1748842882 VWQCBQBQZNYKKF-UHFFFAOYSA-N 458.522 2.267 30 10 JEEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1749023636 ZAOLSKPJMUCROB-XJKSGUPXSA-N 463.405 2.459 30 10 JEEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1749027088 WFAYBOLMFWXEDY-UHFFFAOYSA-N 498.653 2.073 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1749141328 ANCSDLDUOBNESM-FSGKZVOOSA-N 463.579 2.260 30 10 JEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1cccs1)C[C@H]1CCCO1 1749630318 QNJTVYYMGNHERG-SJLPKXTDSA-N 467.617 2.044 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 1749660389 OGWFYBVUTJXNHJ-GOSISDBHSA-N 463.586 2.496 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1749680411 KSOLAEARANQQPJ-QGZVFWFLSA-N 460.966 2.308 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1c1cccs1 1749734939 ODRMOLQHXNXTIC-HZPDHXFCSA-N 470.642 2.184 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1749740315 UKVLOWZXNOAVSV-HTAPYJJXSA-N 497.017 2.496 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3csc(C)n3)n2C[C@]2(OC)CCOC2)c1 1760127783 MFQYCWMQPQONFK-XMMPIXPASA-N 480.594 2.496 30 10 JEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1cccnc1OCC 1760165580 WZQATXSMZLJLRQ-UHFFFAOYSA-N 453.572 2.458 30 10 JEEE C#CCN(c1nnc(Cn2ccc3ccccc32)n1C[C@H](CC)OC)[C@H]1CCS(=O)(=O)C1 1760191991 OYRDBUCPWHAQRX-PMACEKPBSA-N 455.584 2.333 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCCN2CCCC2)CC1 1760267733 XSRORAVWPSMWRA-UHFFFAOYSA-N 480.613 2.414 30 10 JEEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 1760284843 SZZWJZVEPLTHAW-HSZRJFAPSA-N 479.654 2.362 30 10 JEEE C#CCSCCn1c(N2CCO[C@@H](Cn3nc(C)cc3C)C2)nnc1[C@@]1(OCC)CCOC1 1760286642 QHMFBMSIQPNMEN-NFBKMPQASA-N 474.631 2.015 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC(Nc2ccccc2Cl)CC1 1760514316 AYGSGLUMCICMTL-UHFFFAOYSA-N 459.982 2.453 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1760556524 GQUHTFITPQZDOO-LJQANCHMSA-N 476.628 2.326 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2OC)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1760558459 PNNCTPJZVDRYQY-OALUTQOASA-N 475.615 2.139 30 10 JEEE CCC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCc2cnn(C)n2)CCO1 1765653968 HVPUKRKIXFAGPZ-NRFANRHFSA-N 450.547 2.495 30 10 JEEE Cn1cc(C(=O)NCC2CCN(c3nnc(-c4cccc(C#N)c4)n3CCC(C)(C)O)CC2)cn1 1768998705 HQNDGXGRJZFSHP-UHFFFAOYSA-N 476.585 2.358 30 10 JEEE N#C[C@@H]1CN(c2nnc(COc3ccc(Cl)cc3Cl)n2CC2(C(N)=O)CCOCC2)CCO1 1771538537 DQFNJTYIUHLKDA-OAHLLOKOSA-N 495.367 2.175 30 10 JEEE C=CCN(CC=C)c1nc(NC(=O)COc2c(C)cccc2C)n([C@H]2CCS(=O)(=O)C2)n1 1870004606 FTTHFVUCDVWNNA-SFHVURJKSA-N 459.572 2.450 30 10 JEEE CN(C)[C@@H](CNC(=O)c1nonc1OCC(=O)Nc1sc2c(c1C#N)CCC2)c1ccc(O)cc1 1872707106 CKARMNKHYOPBAZ-KRWDZBQOSA-N 496.549 2.247 30 10 JEEE CCOc1ccc(/C=N/Nc2cnn([C@@H]3CCS(=O)(=O)C3)c(=O)c2Br)cc1OC 1873526989 GFIFYTCPPXXEMP-PCQWDSEFSA-N 485.360 2.219 30 10 JEEE COC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)(C)C)C2)n1/N=C/c1ccc(C(=O)OC)cc1 1874278500 UGERJWLGGDMOQD-BRUSPLQXSA-N 473.555 2.326 30 10 JEEE C=CCNC(=O)c1nc(C(=O)N2CCC[C@H](N(C)c3ncc(Br)cn3)C2)cs1 1890608687 VFNFBHQKASAADK-ZDUSSCGKSA-N 465.377 2.352 30 10 JEEE CN(C(=O)CN1CC(CNC(=O)OC(C)(C)C)C1)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2180984669 XOIJFPUFAUGOSF-UHFFFAOYSA-N 459.396 2.405 30 10 JEEE CN(C(=O)OC(C)(C)C)[C@@H]1COC[C@H]1C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2185161225 UOTHILBDSCOJMM-RTBURBONSA-N 460.380 2.484 30 10 JEEE CC1=C(B2OC(C)(C)C(C)(C)O2)CN(C(=O)Cn2cc(CNC(=O)OC(C)(C)C)nn2)CC1 2201822818 HWJHXMTZQKNBLO-UHFFFAOYSA-N 461.372 2.483 30 10 JEEE CC1=C(B2OC(C)(C)C(C)(C)O2)CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C2CS(=O)(=O)C2)CC1 2201823848 VADITUAVSCHPOW-KRWDZBQOSA-N 484.424 2.105 30 10 JEEE CC(C)(C)OC(=O)NCCCONS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2247880615 IISMEPOEYPBJGQ-UHFFFAOYSA-N 462.399 2.172 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2CCCO[C@H](CNC(=O)OC(C)(C)C)C2)C1 2255187756 XARCMHWOYCPJSS-WCCYLALTSA-N 451.564 2.435 30 10 JEEE CN(C[C@H](O)COCc1ccccc1)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2255795689 XNHSWEQQOJVLDS-KRWDZBQOSA-N 467.418 2.246 30 10 JEEE CON(C(=O)c1nscc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2255806849 LCBLNEHANOVGMQ-CYBMUJFWSA-N 453.370 2.455 30 10 JEEE CC(C)(C)OC(=O)NCCc1nnc(NC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)o1 2267481597 RBYBQOPUEWSQTE-UHFFFAOYSA-N 465.341 2.145 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@]2(C1)CN(C(=O)c1nscc1B1OC(C)(C)C(C)(C)O1)CCO2 2281802937 QNZXDFSRHKTZET-JOCHJYFZSA-N 479.408 2.294 30 10 JEEE Cn1ncc(C(=O)NC[C@@H]2CC3(CC3)CN2C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2281816936 FENHLTPHNNCCHI-HNNXBMFYSA-N 460.384 2.239 30 10 JEEE Cn1cc(C(=O)N2CC[C@@H]3CCN(C(=O)OC(C)(C)C)[C@@H]3C2)c(B2OC(C)(C)C(C)(C)O2)n1 2281959548 NYDWWASBCLORPA-NVXWUHKLSA-N 460.384 2.191 30 10 JEEE Cn1cc(C(=O)N[C@@H]2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)c(B2OC(C)(C)C(C)(C)O2)n1 2281980073 IDRDKTMEUMLGFX-BFYDXBDKSA-N 460.384 2.095 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H]2OCCN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)sn3)[C@@H]2C1 2281993828 GZLNRYMMCDYDKV-CVEARBPZSA-N 479.408 2.293 30 10 JEEE CCn1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H]3CC[C@@H]32)nc1B1OC(C)(C)C(C)(C)O1 2282052943 RJSPLFMNOKVKEH-IRXDYDNUSA-N 460.384 2.426 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H](F)C[C@H]2CNC(=O)OC(C)(C)C)n1 2282066332 IIIZKEJETFISMG-GJZGRUSLSA-N 466.363 2.280 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](F)CN1S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282354644 TYLVDPCLLILVEQ-HOTGVXAUSA-N 485.387 2.007 30 10 JEEE C[C@H]1CN(C(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)C[C@@H](C)[C@@H]1NC(=O)OC(C)(C)C 2282566509 ZTCIOZKMSLFUHD-QLPKVWCKSA-N 462.400 2.341 30 10 JEEE Cn1ncc(C(=O)NC[C@H]2CC(C)(C)CN2C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2282574441 OWXKPGWRHAMEPL-OAHLLOKOSA-N 462.400 2.485 30 10 JEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282608946 BJDDTZRLYPMZRR-HZPDHXFCSA-N 481.786 2.398 30 10 JEEE C[C@@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cn2C)[C@H](C)[C@@H]1NC(=O)C(F)(F)F 2282688137 PFABAFSHLUUCOC-XJKCOSOUSA-N 457.302 2.242 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1COC[C@@H]1C(=O)N1CCc2cc(B3OC(C)(C)C(C)(C)O3)ccc21 2283974003 WXIMTOVJBNFTOJ-ROUUACIJSA-N 458.364 2.415 30 10 JEEE Cc1nc(NC(=O)[C@]2(C)COCCN2C(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2284128109 BVZOXHNLTXFYDT-QFIPXVFZSA-N 462.356 2.049 30 10 JEEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)C(=O)C1(O)CC(NC(=O)OC(C)(C)C)C1 2284132018 AXZRRQHPFCPHMO-UHFFFAOYSA-N 460.380 2.362 30 10 JEEE COC[C@H](ONC(=O)OC(C)(C)C)C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2285188373 QDXGBRUAPIGUOM-KRWDZBQOSA-N 468.331 2.212 30 10 JEEE CCN1C(=O)[C@]2(C(=C(O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCCN(C)C)c2ccccc21 2296157116 JHCOIVSOEOQYKR-HHHXNRCGSA-N 491.544 2.352 30 10 JEEE CCCN(CCC)C(=O)CSc1nnc(CNC(C)=O)n1N=Cc1ccc(C(=O)OC)cc1 2330778384 PIUFLDGBXJYXOG-UHFFFAOYSA-N 474.587 2.324 30 10 JEEE CC(=O)NCc1nnc(SCC(=O)N[C@@H](C)c2ccccc2)n1N=Cc1ccccc1O 2330794333 XXCSDZHDTZHHHJ-HNNXBMFYSA-N 452.540 2.472 30 10 JEEE CCCN(CCC)C(=O)COc1ccc(C=Nn2c(CCOC)nnc2SCCO)cc1OC 2331311151 WQPYCMWVJDOOBH-UHFFFAOYSA-N 493.630 2.470 30 10 JEEE Cn1ncc(CNC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)c1NC(=O)OC(C)(C)C 2337400202 QAROSZQZAPMEMF-UHFFFAOYSA-N 463.369 2.453 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1C(=O)N1CCc2scc(B3OC(C)(C)C(C)(C)O3)c2C1 2361644266 TZABUWNSCURUEI-DOTOQJQBSA-N 478.420 2.472 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@H]2C[C@@H](NC(=O)c3ncsc3B3OC(C)(C)C(C)(C)O3)C[C@@H]21 2369091390 ZWPZDZCMGWDFFU-SOUVJXGZSA-N 479.408 2.339 30 10 JEEE COC(=O)c1ccc(/C=N/Nc2nnc(SCC(=O)Nc3ccc(F)cc3F)n2N)cc1 20805952 DQUIVMYPEQXNSV-NUGSKGIGSA-N 461.454 2.234 30 10 JEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCN(C(=O)c4cccs4)CC3)nnc12 21985214 DPXYNOGYRNWZFT-UHFFFAOYSA-N 494.602 2.368 30 10 JEEE Cc1ccnc(NS(=O)(=O)c2ccc(N/C(O)=N/S(=O)(=O)c3ccc(F)cc3)cc2)n1 34142497 CRODPPNFZQQIMD-UHFFFAOYSA-N 465.488 2.440 30 10 JEEE CCOc1ccccc1NC(=O)CSc1nnc(N/N=C/c2ccccc2[N+](=O)[O-])n1N 59884703 IZPFZIZRTGOLIR-SRZZPIQSSA-N 456.488 2.476 30 10 JEEE COC(=O)c1[nH]c(C)c(/C(O)=C2/C(=O)C(=O)N(CCN(C)C)[C@@H]2c2cccc([N+](=O)[O-])c2)c1C 102541066 ZDSAHPPZUNMTES-QGBVPWCLSA-N 470.482 2.310 30 10 JEEE COc1cc(/C=N/NC(=S)NCCN2CCOCC2)cc(Br)c1OC(C)C 169884417 JGHPNQNXDFCLRL-CIAFOILYSA-N 459.410 2.375 30 10 JEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCCCO3)c(=O)n1-c1ccccc1C 603991168 ZZSLWIXEQRIRED-UHFFFAOYSA-N 473.554 2.174 30 10 JEEE C=CCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2cc(OC)c3c(c2)OCCO3)c1=O 654765997 YEVCWILYKBSNNJ-UHFFFAOYSA-N 490.537 2.270 30 10 JEEE C#CCN(CC(=O)O)C(=O)[C@H](CCNC(=O)OCC1c2ccccc2-c2ccccc21)OC 757403678 PFHNRPCVXRQKBU-QFIPXVFZSA-N 450.491 2.477 30 10 JEEE Cc1nn(CCO)c(C)c1C=NNc1nc(SCC(=O)Nc2nc3ccccc3s2)n[nH]1 1083978701 IZUSCIIACWXPEM-UHFFFAOYSA-N 471.572 2.397 30 10 JEEE CCOc1ccc(NC(=O)CSc2nnc(NN=Cc3ccccc3[N+](=O)[O-])n2N)cc1 1084138838 MWTBUCFSYYARQJ-UHFFFAOYSA-N 456.488 2.476 30 10 JEEE C#CCCOc1ccc(C(=O)N2CCN(c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])CC2)cc1 1124980038 YRVRFUSYXPFEIU-UHFFFAOYSA-N 457.508 2.363 30 10 JEEE C=CCN1CC[C@H](N(C)C(=O)c2ccccc2NS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1=O 1139239440 PXRAXDYUWCOUIB-IBGZPJMESA-N 458.496 2.255 30 10 JEEE C#CCNS(=O)(=O)N1CCN(C(=O)NCC2(c3ccc(Cl)cc3Cl)CCC2)CC1 1224241164 WWQLHNOHPDJINQ-UHFFFAOYSA-N 459.399 2.210 30 10 JEEE C#CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1cccc(OCC(N)=O)c1 1286374839 PHMVVQMNXFRWOK-LJQANCHMSA-N 482.585 2.374 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1286382530 JJODBWXIAPSCJJ-CQSZACIVSA-N 458.462 2.151 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCCCN1CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1286390265 ZNGCASWCXDVNBA-UXHICEINSA-N 458.632 2.412 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@](C)(O)[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1286391819 JFJJYSCINIRUTE-MMOPVJDHSA-N 450.630 2.354 30 10 JEEE C#CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1Cc1ccc(NC(C)=O)nc1 1286466716 LWJCQGYDRCBIRD-UHFFFAOYSA-N 458.526 2.004 30 10 JEEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 1286601318 KFWYMNJMAIOVTJ-IAGOWNOFSA-N 450.584 2.358 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1([S@@](C)=O)CC1 1286774056 YAVSNECUGJTLNW-UAIZEJDJSA-N 483.635 2.136 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCc2cc(OC)c(OC)cc2C1 1286824977 KTNKTABNGHCUHK-GOSISDBHSA-N 462.572 2.310 30 10 JEEE CO[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1)C(C)C 1299657566 GZJDNYKYQDTTPY-HXUWFJFHSA-N 460.604 2.348 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCC[C@@H](O)C2)c1 1300331927 UQENUTFGYLKIIU-TZIWHRDSSA-N 464.570 2.121 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1CC[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1300504608 OSQPVFDAEHGFFZ-VQTJNVASSA-N 458.584 2.219 30 10 JEEE C#CCSCCn1c(N2CCN(C(=O)c3cccc(F)c3)CC2)nnc1[C@@]1(OCC)CCOC1 1300777843 FADWDAAGRXRYQD-XMMPIXPASA-N 487.601 2.398 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(O)cc2)CC1 1300877060 VYDGRNSRSUPXKZ-WIYYLYMNSA-N 454.575 2.430 30 10 JEEE C=CCn1c(-c2cc(OC)ccc2Br)nnc1N1CCN(CC(=O)NC2CC2)CC1 1301436104 NJKXVVISVVWRDL-UHFFFAOYSA-N 475.391 2.303 30 10 JEEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)C[C@H]1CCCO1 1301501363 VKQBRNQBSIHUST-GOSISDBHSA-N 462.595 2.310 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCN(c2cccc(OCC)n2)CC1 1301585562 MYSSMVUVCBVWBG-UHFFFAOYSA-N 497.625 2.370 30 10 JEEE C[C@H](C#N)CN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@]1(N(C)C)CCSC1 1301956302 IDKDBCWYNNCCAR-VGSWGCGISA-N 491.687 2.229 30 10 JEEE CC[C@H](Cn1c(C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C)NC(=O)OC(C)(C)C 1305805867 DFKZVUGFEQQHKX-DOTOQJQBSA-N 455.567 2.267 30 10 JEEE C#CCN1CCC[C@H](NC(=O)N2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)C1 1313282354 OLJHCPFRADHIBH-INIZCTEOSA-N 459.399 2.107 30 10 JEEE C#CCCCn1c(N2CCC[C@@H](n3ccc(C(=O)NC)n3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1358936867 ZVLSFAWIHFWQQU-NTKDMRAZSA-N 469.590 2.130 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCN1CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1358955535 NSPHTINCJJTLMV-RBBKRZOGSA-N 498.653 2.258 30 10 JEEE C#CCN(c1nnc([C@H](C)OCCOC)n1Cc1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 1358957553 VWUUTEKGGTXWTL-LPHOPBHVSA-N 466.991 2.331 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)N2CCCC2)n1CC1(O)CC(OCC)C1 1359015088 HTAJGECAAGERQO-UHFFFAOYSA-N 455.534 2.223 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCC2=CCc3ccc(OC)cc32)CC1 1359039968 CPMFQLOTUBLYIA-UHFFFAOYSA-N 490.608 2.421 30 10 JEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCN(c2c(F)cccc2OC)CC1 1359136112 ZQDVYPKKNGWPAK-UHFFFAOYSA-N 472.565 2.468 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(O)(C(F)(F)F)CC1 1359189561 ODYSWFBMIVLKTQ-OAHLLOKOSA-N 495.568 2.107 30 10 JEEE C=CCCCCn1c([C@H]2CCCO2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1359207738 VQIFRCUQNIUVEZ-GOSISDBHSA-N 450.565 2.126 30 10 JEEE CC(=O)N1CC[C@@H](CN(C)c2nnc(Cc3ccccc3C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1359361516 DZQWOGWHFCSEIF-VQERKYHCSA-N 491.596 2.008 30 10 JEEE CC(C)(C)NC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1359552142 FCHSYWHYXQVYQS-QFIPXVFZSA-N 495.628 2.335 30 10 JEEE CCCn1nc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC[S@@](=O)C(C)(C)C)c2ccccc2c1=O 1501078395 BFDLGIJQOXMPON-YQXIYLPXSA-N 497.625 2.341 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@@](C)(O)[C@H](C)CC)c1 1507548495 SPBQTWVZSZINDT-IQGLISFBSA-N 466.586 2.367 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CCN(C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1507634111 JAMMJUBVDGHQHH-QFIPXVFZSA-N 464.595 2.027 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1([S@](C)=O)CC1 1507666370 AWHXXEGGRGQOCU-XIFFEERXSA-N 462.579 2.049 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCOC[C@@H]1CCOC1 1507686380 BHHAWSXVTHBCED-SFHVURJKSA-N 450.543 2.095 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(C)n2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1507710158 KQRJFOIBIXQCHN-LJQANCHMSA-N 461.574 2.235 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@@H](C2CC2)N(C)C)CC1 1507722893 NCZUJIBDSDADCR-NRFANRHFSA-N 452.603 2.448 30 10 JEEE C=C(Br)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@@H](OCCOC)C1 1507779976 JSKUNVDYWPEJQV-QGZVFWFLSA-N 475.351 2.071 30 10 JEEE C=C(Br)Cn1c(-c2noc3c2COCC3)nnc1N1CCN(C(=O)C(C)C)CC1 1507781924 NBLUOXRNAQKEGT-UHFFFAOYSA-N 465.352 2.219 30 10 JEEE C=CCCCn1c(N2CCC[C@@H](N3CCCS3(=O)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1507954638 WMBUDHAYLLWECL-KNQAVFIVSA-N 467.636 2.289 30 10 JEEE C=CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1508048821 ZTIQUTNTHMKWMH-LAUBAEHRSA-N 453.547 2.418 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@@](C)(CC)C1 1508071917 GBYVTMBVOMOFEV-IBGZPJMESA-N 451.369 2.354 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N(C)Cc1cc(Br)cs1 1508129447 CKOJLONBROFQAG-UHFFFAOYSA-N 490.449 2.478 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC(C)(C)N2CCOCC2)C1 1508129762 FEWZEDWNLAUHSF-GOSISDBHSA-N 474.631 2.162 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)c2ccsc2)CC1 1508135068 XUNYNNLSTHNYEE-UHFFFAOYSA-N 496.618 2.441 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(F)cccc1Cl 1508420587 AHLAIGBVDBGPIB-GUYCJALGSA-N 470.958 2.048 30 10 JEEE C[C@@H](CCn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1)N1CCCCC1 1509987278 DQCFOUGPOPXGLB-FQEVSTJZSA-N 465.602 2.376 30 10 JEEE C#CCN(C)c1nnc(COc2ccc(F)cc2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1539195072 LGRZRWGXJNYXNH-PXNSSMCTSA-N 461.563 2.270 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCCOC(F)F)[C@H]1CCS(=O)(=O)C1 1539210234 AEUMRXCZSFNFTG-AWEZNQCLSA-N 459.906 2.250 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1cc(OC)ccc1OC)[C@@H]1CCS(=O)(=O)C1 1539210422 DYYXCIAAOLTTKW-GOSISDBHSA-N 467.551 2.032 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1539231556 VZKVVAHZQQOGFK-ICSRJNTNSA-N 462.547 2.192 30 10 JEEE C#CCN1CCN(c2nnc(-c3nn(CCC)c(=O)c4ccccc34)n2CC(O)(CC)CC)CC1 1539445893 JTKFXFATPJAVBD-UHFFFAOYSA-N 477.613 2.371 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@H]2CCC[C@@H](O)C2)CC1 1539488628 MUNGQKZHTYRYPL-TZIWHRDSSA-N 481.597 2.383 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1539640831 BMNOHWAMJWKQDT-RRPUWOKSSA-N 469.586 2.406 30 10 JEEE C=C(C)COCCn1c(N2C[C@@H](O)[C@H](CC(=O)OC)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1539759666 KGESSHJDTCIGLS-AKHDSKFASA-N 493.605 2.002 30 10 JEEE C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1539772568 IOPGBMVVXAYFAW-APWZRJJASA-N 487.008 2.057 30 10 JEEE C=CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(NS(C)(=O)=O)CC1 1539967359 QIOJRSZJKZTFJJ-UHFFFAOYSA-N 488.662 2.326 30 10 JEEE C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN([C@@H](C)C(=O)NCCCOC)CC1 1540861204 HCCYVOLJDKOHNS-XUVXKRRUSA-N 462.639 2.046 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(Cc2ccc(OCC)cc2)CC1 1540870708 UUTLGTFPJRQEQV-OAQYLSRUSA-N 468.602 2.195 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@@](C)(OC)C1 1540903185 AHJABAHWEMQDOI-DENIHFKCSA-N 462.572 2.397 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1540907012 JFESMXVXSBZAGZ-VQTJNVASSA-N 459.616 2.439 30 10 JEEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1540917100 NSWMBVGWFIWFHD-LAUBAEHRSA-N 487.692 2.172 30 10 JEEE CC(C)NC(=O)c1nnc(N(C)[C@H](C)CC#N)n1C[C@H]1CN(Cc2ccccc2)CCCO1 1541634247 DCKJRUMMJTUURQ-TZIWHRDSSA-N 453.591 2.446 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H]1CCCN1C1CCCCC1 1541927037 CUINIJNHDXIAEB-MDKPJZGXSA-N 467.615 2.127 30 10 JEEE C[C@H]1CCCCN1C[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCNS(C)(=O)=O)C1 1544008350 CBXDEVWYKQTHBE-PZJWPPBQSA-N 485.658 2.457 30 10 JEEE CCS(=O)(=O)N(C)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cc(C)nn2C)CC1 1548321690 CXWKTENFEGDBKN-UHFFFAOYSA-N 482.614 2.157 30 10 JEEE CS(=O)(=O)CCCn1c(COc2ccccc2F)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1555804736 CKOGDUYGRSLCQU-UHFFFAOYSA-N 499.572 2.024 30 10 JEEE C#Cc1ccc(CNC(=O)c2cc(S(=O)(=O)NCCOC)ccc2Br)cc1 1569257678 HGVFEJNVNUJMIT-UHFFFAOYSA-N 451.342 2.285 30 10 JEEE C=CCC1(NC(=O)C2CCN(S(=O)(=O)c3ccccc3C(=O)OC)CC2)CCOCC1 1585720112 SMYMUOQKQMLSEF-UHFFFAOYSA-N 450.557 2.115 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCOC[C@@H]2C)c1 1587683362 IMQKJMSBFHPZLS-ICSRJNTNSA-N 464.570 2.243 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@H]1CCCOC1)[C@@H]1CCS(=O)(=O)C1 1588040973 TUFOUOLWGKGOKT-QZTJIDSGSA-N 474.583 2.016 30 10 JEEE C#CCN(c1nnc(-c2ccccc2)n1CCCN(C)CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1588045656 OBJZRXXLLDMZFT-GOSISDBHSA-N 469.533 2.456 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1Cc1ccsc1)[C@@H]1CCS(=O)(=O)C1 1588069558 QJQHIYZEPWFMQF-LJQANCHMSA-N 467.576 2.465 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1CC1(S(C)(=O)=O)CCC1 1588219218 OVHOCBLHLFNNDZ-UHFFFAOYSA-N 464.551 2.024 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cn2nc(C)cc2C)n1CC1(S(C)(=O)=O)CC1 1588560987 XTZCVDLDAKOZGP-UHFFFAOYSA-N 470.574 2.496 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)(C)C)n2C[C@@H]2CC[C@]3(CCOC3)O2)n1 1588724198 VDXXVUCTZFZTDI-GBXCKJPGSA-N 456.591 2.396 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H](C)Oc2ccccc2F)CC1 1588752821 WWWDYHZVDCOFEJ-NTKDMRAZSA-N 457.550 2.292 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)s3)n2CCNC(=O)C2CC2)CC1 1588768431 FUSOYOVFRQIUDK-UHFFFAOYSA-N 463.405 2.051 30 10 JEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](c2cccc(OC)c2)N(C)C)CC1 1588865224 QUXXPKCLNXUKPF-DEOSSOPVSA-N 476.629 2.206 30 10 JEEE C#CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC[C@H](C(=O)OC)C1 1589053805 UPXUZWDTHLXCNC-KRWDZBQOSA-N 480.594 2.431 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2c(F)ccc(F)c2C1 1589069039 IAQRYBUETQYSGX-AWEZNQCLSA-N 452.552 2.388 30 10 JEEE C=CC1CCN(c2nnc(-c3cnccn3)n2CCNS(=O)(=O)c2ccc(C)s2)CC1 1594229437 NOUYOACODMPYNJ-UHFFFAOYSA-N 459.601 2.486 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCOC[C@@H]1OC 1595116888 WVCODDBFHKUZGD-HBMCJLEFSA-N 460.600 2.424 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1595477461 VKEFEQRDBZXKNF-LVCYWYKZSA-N 472.565 2.016 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC(N(C)C(=O)OCC)CC1 1595496952 LZQJPBJULBIJHS-UHFFFAOYSA-N 486.573 2.322 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](C(C)(C)C)C1 1595766616 UWXQLLSGHJNKNE-IBGZPJMESA-N 496.655 2.201 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC(NC(=O)c2ccccc2)CC1 1595785274 VDGNWEOBVMWAAP-UHFFFAOYSA-N 468.583 2.273 30 10 JEEE C=CCS(=O)(=O)CCNC(=O)c1cc(S(=O)(=O)NCC(C)C)c(Cl)cc1Cl 1631312154 HZRBVZFFFUWROC-UHFFFAOYSA-N 457.401 2.258 30 10 JEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2C[C@H](O)C[C@H]2c2n[nH]c(-c3ccccc3)n2)c1 1636780789 LVVAOMIQBUBVTM-QUCCMNQESA-N 450.520 2.217 30 10 JEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1O 1637881646 MAAKJZAVCHLYEO-INIZCTEOSA-N 451.545 2.422 30 10 JEEE C=CCCC(C)(C)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 1646422044 MRPDKHMTJFTIPE-UHFFFAOYSA-N 451.589 2.169 30 10 JEEE C=CCN(C(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1)[C@@H]1CCS(=O)(=O)C1 1672634840 MSPYJEJPVCEQPM-FUHWJXTLSA-N 455.602 2.314 30 10 JEEE C=C[C@@H]1OCC[C@H]1CNC(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1682167018 KRBBHWCGGBPLDX-RNQOJCNYSA-N 477.606 2.155 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@H](C)c1ncc(C)s1)[C@H]1CCS(=O)(=O)C1 1689991761 BZUKURAGUPVIRV-LPHOPBHVSA-N 470.624 2.459 30 10 JEEE C#CCN(c1nnc(CCCc2ccccc2)n1CCc1nccnc1C)[C@H]1CCS(=O)(=O)C1 1689993942 OAFZENDSJRUOMA-QFIPXVFZSA-N 478.622 2.421 30 10 JEEE C#CCN(c1nnc(COc2ccccc2OC)n1C[C@@H]1CCC[C@@H](O)C1)[C@H]1CCS(=O)(=O)C1 1689996743 NLJHAQFJVIUFLA-HSALFYBXSA-N 488.610 2.044 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(F)c(C)c1)[C@@H]1CCS(=O)(=O)C1 1689998057 AOLAOLCVPFTHEH-ZVDOUQERSA-N 476.574 2.125 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@](C)(O)c2ccccc2Cl)CC1 1690113897 XLBXCEBUIPLAAM-ZEQRLZLVSA-N 474.005 2.247 30 10 JEEE C#CCSCCn1c(N2CC[C@@H](C(=O)NCC(F)(F)F)C2)nnc1[C@@]1(OC(C)C)CCOC1 1690185735 FSZZZOVBURDNHA-OXQOHEQNSA-N 489.564 2.190 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCNC(=O)[C@@H]1CC 1690715858 WMAMERYFTVMUHM-FQEVSTJZSA-N 468.583 2.117 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@]1(C)CN(C2CC2)C1=O 1705481529 IJJBCKCGJMXCOO-IZHWHUGBSA-N 453.543 2.440 30 10 JEEE C#CCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1705543752 RGLNBLFVBVPBFP-KRWDZBQOSA-N 468.949 2.456 30 10 JEEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1CCN(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1705568057 GKVHDCMVIBHDHW-NRFANRHFSA-N 473.643 2.441 30 10 JEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(OCC)c(OC)c2)CC1 1705642592 ZKVLSIAEJKCDKX-UHFFFAOYSA-N 463.586 2.351 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](O)(Cc2cccc(Cl)c2)C1 1705662314 VZVUNNUUVGEZSS-PGRDOPGGSA-N 495.070 2.384 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1705707878 TVHNHCZUPMAFBL-VMBXEPDQSA-N 460.623 2.148 30 10 JEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1705830347 NJHDGMWNBFMTFX-OALUTQOASA-N 451.637 2.084 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(Cc1ccccc1)Cc1ccco1 1705903018 OOQZJXASVXZLIC-IBGZPJMESA-N 469.567 2.282 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@H](C)CC1 1705934138 CCCDILZASCGYEI-KRWDZBQOSA-N 470.599 2.419 30 10 JEEE CN(CCS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1CC(C)(C)N1CCCCC1 1711236591 CBUYPSLWLFZQDM-UHFFFAOYSA-N 474.631 2.474 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCOC1CCOCC1 1722296086 NOCCCKUAVORWNV-LJQANCHMSA-N 453.591 2.496 30 10 JEEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1722341052 QPTHAGVESZIIJW-IPMKNSEASA-N 451.637 2.376 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2N(C)CCCC2(C)C)CC1 1722441493 RNOKOHBYNGZOET-HXUWFJFHSA-N 492.628 2.012 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2Cc2cccnc2OCC)CC1 1722442200 PHCKNCIYNFKRAK-UHFFFAOYSA-N 462.554 2.463 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CC(C)(C)N2CCC(OC)CC2)CC1 1722446066 LQXVOILGIXTAPA-UHFFFAOYSA-N 479.629 2.195 30 10 JEEE C=C(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(CC(=O)N2CCN(CC)CC2)CC1 1722525279 ZRSASRDFVZXJQA-UHFFFAOYSA-N 468.650 2.486 30 10 JEEE C=CCC(C)(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(C(=O)NC)CC1 1722590319 COIWCLFWTNTCMN-UHFFFAOYSA-N 464.574 2.256 30 10 JEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 1722617238 IHECARATVDIFQR-UXHICEINSA-N 477.635 2.232 30 10 JEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCCN1CCC)C1CC1 1722650609 GSSCFQBHBCOEKJ-WOJBJXKFSA-N 466.652 2.030 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1722671659 AZKVUEDBNJEXTD-YADHBBJMSA-N 471.627 2.260 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@H](CNC(C)=O)C1 1722688485 CZYKOFLOLGWAPS-SJLPKXTDSA-N 458.538 2.212 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1722694778 IBTVIGRQBGBXNG-UHFFFAOYSA-N 496.612 2.493 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cn(C)nc2-c2ccccc2)C1 1722711471 VCWJQGFJXNREPS-FXAWDEMLSA-N 485.614 2.118 30 10 JEEE CC(C)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCc2cnn(C)n2)CCO1 1723235767 HVTHBVAACYCQRL-NRFANRHFSA-N 450.547 2.351 30 10 JEEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCCN1CCC(C)CC1 1729069139 DPXNUJFEURMJPI-FQEVSTJZSA-N 467.622 2.313 30 10 JEEE CN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCC=CO1)C1CCN(S(C)(=O)=O)CC1 1729369134 DTARIPJBXWQBSQ-NRFANRHFSA-N 486.598 2.282 30 10 JEEE CO[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1)C1CC1 1729869605 DBKJBIPHSVROFV-FQEVSTJZSA-N 458.588 2.102 30 10 JEEE C#CCCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1740571319 YKWJFNJYSZYTSN-UHFFFAOYSA-N 494.596 2.037 30 10 JEEE C#CCN(c1nnc(COCC)n1Cc1c(F)cccc1SC)[C@H]1CCS(=O)(=O)C1 1740627118 DUKSQYBJXLTCHC-HNNXBMFYSA-N 452.577 2.351 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H](C)CN1CCOCC1 1740660898 IFPXZSBRZMFRCQ-FDFHNCONSA-N 484.645 2.480 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCCC(=O)NC2CC2)CC1 1740689439 ABZQSRRGWMIEQZ-SFHVURJKSA-N 454.550 2.371 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2C[C@H](C2CC2)N(C)C)CC1 1740707931 VOIXILXRFHUHGY-OAQYLSRUSA-N 468.577 2.302 30 10 JEEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1740722727 IPROUZYIORMZGE-SHUHUVMISA-N 450.605 2.141 30 10 JEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)c2ccsc2)CC1 1740887063 AZKIZGVLZWMYAL-GOSISDBHSA-N 493.655 2.233 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1740962125 TYBSJAKGNVAIFS-UHFFFAOYSA-N 494.600 2.124 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCS(C)(=O)=O)C1 1740980945 TVILUEMIXKWJGG-ZWKOTPCHSA-N 483.635 2.219 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC(CC(F)(F)F)CC1 1740986052 QYMOETCZDGSGNC-UHFFFAOYSA-N 463.526 2.284 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCNC(=O)[C@@H]1CC 1740988730 NXMDGFWWPGETIL-INIZCTEOSA-N 455.943 2.053 30 10 JEEE C=CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1740997525 WAUXEAAMTLRMIJ-GOSISDBHSA-N 490.655 2.308 30 10 JEEE CC(C)C[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C)N(C)C 1741422403 HHLZXDLKJBFVGZ-SLFFLAALSA-N 467.622 2.135 30 10 JEEE CN(C[C@@H]1CCCCO1)c1nnc(COc2ccc(C#N)cc2)n1CCCc1cnn(C)n1 1747843563 DWULROLXYCAQRT-NRFANRHFSA-N 450.547 2.495 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1Cc1nccs1)[C@H]1CCS(=O)(=O)C1 1748802243 NZNYOJNINCDGOQ-SFHVURJKSA-N 484.607 2.279 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(F)c(C)c1)[C@@H]1CCS(=O)(=O)C1 1748804496 IKHUFMDVBZPCPM-XXBNENTESA-N 476.574 2.053 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCCCN1CC)[C@@H]1CCS(=O)(=O)C1 1748809134 QNPUDASBMRQJDG-NHCUHLMSSA-N 486.598 2.354 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCc1sc(C)nc1C)[C@H]1CCS(=O)(=O)C1 1748818018 UOIQDCHBDFCLNZ-ROUUACIJSA-N 463.629 2.115 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@@H]1CC(F)(F)CO1)[C@H]1CCS(=O)(=O)C1 1748819457 OYZZKGUEEAOTBB-OALUTQOASA-N 464.538 2.228 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H](C)N(C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1748823869 DHIFLFPYHAIGRO-ILWGZMRPSA-N 471.627 2.277 30 10 JEEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1C[C@@H](c1cccc(OC)c1)N(C)C 1748841983 COJKPABFHYEVHV-NRFANRHFSA-N 460.538 2.390 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC2(C)CCOCC2)CC1 1749003711 SPCIZRWCWVXFBD-RUZDIDTESA-N 473.618 2.101 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCc2cccs2)CC1 1749020446 SWPMZUVOCDTQAZ-ICSRJNTNSA-N 457.600 2.272 30 10 JEEE C#CCSCCn1c(CC(C)(C)C)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1749037455 CXJFTHSWIFABKZ-NRFANRHFSA-N 462.708 2.464 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](NC(=O)CCC)C1 1749115025 KNHBDYMXNDISBB-DYXWJJEUSA-N 458.607 2.380 30 10 JEEE C=C(Cl)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(N(C)C(C)=O)CC1 1749264659 BPOHVSIEXDSLGF-UHFFFAOYSA-N 466.011 2.438 30 10 JEEE C=CCCCn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1749441501 DYJVIJYNWVXSIR-UHFFFAOYSA-N 452.603 2.124 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CC[C@H](C(=O)N(C)c2ccccc2)C1 1749670769 VNBYIVUVBPJMIK-AZUAARDMSA-N 452.559 2.311 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H]3CCOC3)nnc2N2CCC(N(C)S(C)(=O)=O)CC2)cc1 1749683640 AHHBQZRCYULAPW-LJQANCHMSA-N 475.615 2.255 30 10 JEEE C=CCSCCn1c(Cc2ccccn2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1749757783 BYTKKARDHOHMBF-UHFFFAOYSA-N 464.599 2.004 30 10 JEEE C[C@@](O)(Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1)C1CC1 1751247353 DGIRFBIXCHMYPA-KSFYIVLOSA-N 492.502 2.395 30 10 JEEE C[C@@](O)(Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1)C1CC1 1751247361 DGIRFBIXCHMYPA-OPAMFIHVSA-N 492.502 2.395 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2C[C@@H](C)CN2CCCC2)c1 1760127496 ARHGCOWKMZMEBS-FQEVSTJZSA-N 477.613 2.189 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2CC2(C(=O)N(C)C)CCCC2)c1 1760128869 VCZUWCKMEFTFKG-FQEVSTJZSA-N 478.597 2.487 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@H]1C[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1760181091 PIDQZQAEUVVQNP-SZMVWBNQSA-N 474.583 2.254 30 10 JEEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@H]1CN(CC(C)C)CCO1)[C@H]1CCS(=O)(=O)C1 1760184007 FZHFZYYHNGVDPL-VQTJNVASSA-N 489.617 2.068 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1CCc1ccccc1OC)[C@H]1CCS(=O)(=O)C1 1760184702 KVMNXZLJCRSMGB-IBGZPJMESA-N 451.552 2.218 30 10 JEEE C#CCN(c1nnc(CC)n1C[C@H](C)Cc1ccc(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1760186072 KADDFVXBSVLYIM-MJGOQNOKSA-N 460.600 2.363 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCN(C)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1760192871 OUJSPSSXXDHIFY-FGZHOGPDSA-N 471.627 2.278 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cn(C)c3ccccc23)n1CCCNS(=O)(=O)CC 1760217124 PSYAVVGMLSFREM-UHFFFAOYSA-N 452.584 2.229 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 1760232540 ANBROWHATLECOM-OAGGEKHMSA-N 463.526 2.364 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1760316441 RXRMSQNPAYXHCY-MLHJIOFPSA-N 496.659 2.212 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCn2nc(C)nc2C1)C(C)C 1760487848 FVUUCUWQNZXFRS-HXUWFJFHSA-N 467.622 2.133 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCNC(=O)C1)C(C)C 1760490052 OXILVLKCLGUSPD-KNQAVFIVSA-N 466.586 2.425 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCCN(C(=O)c2ccc(Cl)cc2)CC1 1760524429 XTDVBAOVEUCWNP-LJQANCHMSA-N 487.004 2.480 30 10 JEEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN3CCCC[C@H]3C2)cc1 1760529583 BXWVZMPGRVMBTK-ICSRJNTNSA-N 474.631 2.176 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@H](OC)C(C)(C)C1 1760553244 PEJABVQFPMUJLF-IBGZPJMESA-N 464.588 2.424 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1760555874 PRPGMLPCFIOGHM-CQSZACIVSA-N 486.520 2.144 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H]1c1ccc(OC)c(OC)c1 1760556219 XAYHWFFVZKAGPH-ZWKOTPCHSA-N 489.598 2.189 30 10 JEEE CC(=O)N[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C2CC2)N(C)C)C1 1760643913 GXCYRPZPQVTSGW-IRLDBZIGSA-N 451.575 2.174 30 10 JEEE CC[C@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ncc(F)cn2)CC1 1762033765 CLLMAXXSCQJBNL-KRWDZBQOSA-N 477.548 2.377 30 10 JEEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@H]1CCN(CC(F)(F)F)C1 1767942138 AUOGCUWZAAKVMT-SJORKVTESA-N 493.538 2.076 30 10 JEEE CCS(=O)(=O)CCn1c(CCCc2ccccc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1768254079 DQVXKJUHLZDLJM-UHFFFAOYSA-N 493.637 2.481 30 10 JEEE COC(=O)N1CCC(Cn2c(CNC(=O)c3cccs3)nnc2N(C)[C@@H](C)CC#N)CC1 1769468356 CNGMUFNJTUXIJJ-HNNXBMFYSA-N 459.576 2.486 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)[C@H](C)Oc3cccnc3NC(=O)N[C@H](C)C(=O)O)cc21 1858806484 CAWZHQNBWPIUOZ-KGLIPLIRSA-N 468.466 2.238 30 10 JEEE C=CCOc1ccccc1[C@@H]1C(C(=O)N(C)CC(=O)OCC)=C(N)Oc2c1c(C)nn2CC 1865225399 VVQVRYMGLMQLIK-FQEVSTJZSA-N 454.527 2.492 30 10 JEEE O=C(NC[C@H]1CCCO1)[C@@H](Cc1c[nH]c2ccccc12)N=C1NS(=O)(=O)c2ccccc21 1869932189 WNXTVWJBDNJHBQ-OXQOHEQNSA-N 452.536 2.113 30 10 JEEE N#Cc1nnn(Cc2cc([N+](=O)[O-])cc3c2OCOC3)c1NC(=O)c1ccccc1[N+](=O)[O-] 1870113336 ZTNRYWXFDPYODD-UHFFFAOYSA-N 451.355 2.133 30 10 JEEE C=CCn1cc(OCC(=O)N[C@@H](C)CC)c(=O)cc1CN1CCN(Cc2ccc3c(c2)OCO3)CC1 1870525370 LUOMLDJXNWCAKU-FQEVSTJZSA-N 496.608 2.374 30 10 JEEE C=CCn1c(C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)cc2c(NCCNC(C)=O)ncnc21 1873634395 ZMIRZMVNJZWNMZ-UHFFFAOYSA-N 453.459 2.334 30 10 JEEE CC(C)N1C(=O)CS[C@H](C(=O)N2CCN(c3ncccn3)CC2)[C@@H]1c1ccc(C#N)cc1 1889496777 ZWBZNUVWSDLMQE-SFTDATJTSA-N 450.568 2.091 30 10 JEEE CCOc1ccc(-c2cc(C(=O)N3CCC(OCC#CCN4CCN(C)CC4)CC3)n(C)n2)cc1 1890479078 DKDFAKYTITYEHE-UHFFFAOYSA-N 479.625 2.358 30 10 JEEE Cc1cccc(S(=O)(=O)N2CCC[C@H]2C(=O)NCC#CCN2CCc3ccccc3C2)c1 1891427394 SZKATNZINKQEGR-DEOSSOPVSA-N 451.592 2.326 30 10 JEEE N#Cc1cccnc1N1CCN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc(Cl)cc2)CC1 1892215364 KJOSWQMKXUKLIN-FQEVSTJZSA-N 473.986 2.499 30 10 JEEE CC(C)(C)OC(=O)NC1(C(=O)N[C@H](CCS)C(=O)O)CCN(Cc2ccccc2)CC1 2009961513 NUQUJVDMHCKTAE-QGZVFWFLSA-N 451.589 2.435 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1[C@@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1(F)F 2124542943 LICIHSYHZZIOMI-STQMWFEESA-N 454.283 2.120 30 10 JEEE CN(C(=O)[C@H](F)C1(O)CN(C(=O)OC(C)(C)C)C1)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2180980525 JMMUPFFTXJJSIK-KRWDZBQOSA-N 464.343 2.269 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CC(C(=O)NCc2cccc(B3OC(C)(C)C(C)(C)O3)c2)=C[C@@H]1O 2188032562 RCJKHJNPDCJYIG-OALUTQOASA-N 458.364 2.186 30 10 JEEE C=C(CS(=O)(=O)N[C@H]1CCOC[C@@H]1NC(=O)OCc1ccccc1)B1OC(C)(C)C(C)(C)O1 2247902456 ABRRTVKMLRDUNC-OALUTQOASA-N 480.392 2.177 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N[C@]2(CO)CCCN(C(=O)OC(C)(C)C)C2)C1 2255153317 JQWRNOXJCMCPHQ-AVBDTAHFSA-N 451.564 2.171 30 10 JEEE C[C@H](CNS(=O)(=O)c1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1)NC(=O)OC(C)(C)C 2255801089 XZPYFBYQTUNITE-CYBMUJFWSA-N 458.361 2.316 30 10 JEEE Cn1nc(C(=O)NC[C@H]2C[C@@H]2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2255819446 ATNMTYXUYDXNAI-NEPJUHHUSA-N 454.764 2.016 30 10 JEEE CC(C)(C)OC(=O)N[C@@]1(C(=O)NCc2ccc(B3OC(C)(C)C(C)(C)O3)s2)CCOC1 2256616806 DVHWAUMSJHQWKL-NRFANRHFSA-N 452.382 2.347 30 10 JEEE C[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 2256626852 OUABVSVLDWSEMR-QWHCGFSZSA-N 452.386 2.233 30 10 JEEE C[C@H]1C[C@@H](NC(=O)C(F)(F)F)CN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2267373757 HXNFDOARVPQQCG-NWDGAFQWSA-N 482.355 2.125 30 10 JEEE Cc1nc(C(=O)NC[C@@]2(NC(=O)OC(C)(C)C)CCOC2)c(B2OC(C)(C)C(C)(C)O2)s1 2267485100 DJMMUSTULBBHGO-NRFANRHFSA-N 467.397 2.164 30 10 JEEE COC1(CCNC(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)CN(C(=O)OC(C)(C)C)C1 2267496232 WMZYMWYDFWAWDO-UHFFFAOYSA-N 450.341 2.335 30 10 JEEE Cc1csc(C(=O)N2C[C@@H](O)C[C@H]2CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267536570 CYAWTAIMBYBZEO-GJZGRUSLSA-N 466.409 2.456 30 10 JEEE CN(C(=O)OC(C)(C)C)C1(CNS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CC1 2267705222 WOTFEGYRALUBKZ-UHFFFAOYSA-N 467.397 2.059 30 10 JEEE C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1F 2268634979 MFTKQPQNXMETTE-ZBEGNZNMSA-N 456.295 2.477 30 10 JEEE C#CCN(C(=O)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1 2268746703 REWNCWZXSTUNEC-HXUWFJFHSA-N 476.595 2.089 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2c(F)cccc2B2OC(C)(C)C(C)(C)O2)C[C@H](O)C1 2281779783 MQVOSUKMQUDYQI-HNNXBMFYSA-N 464.343 2.179 30 10 JEEE CC1(C)OB(c2cc(C(=O)N3C[C@@H](CNC(=O)C(F)(F)F)C4(CCC4)C3)co2)OC1(C)C 2281831530 XQJWVZWKXQUYPG-CQSZACIVSA-N 456.270 2.500 30 10 JEEE Cn1nc(C(=O)N[C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)cc1B1OC(C)(C)C(C)(C)O1 2281972944 OTXQBVCHLKIMBZ-HSALFYBXSA-N 450.392 2.360 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N=[S@](C)(=O)CCCCNC(=O)OC(C)(C)C)n1 2282039658 YMKKQUKIUXYAGO-MGBGTMOVSA-N 484.428 2.262 30 10 JEEE CC1(C)OB(c2csc(S(=O)(=O)NC3(CN)CCN(Cc4ccccc4)CC3)c2)OC1(C)C 2282335034 JVKKREVUNFEZJQ-UHFFFAOYSA-N 491.488 2.319 30 10 JEEE CC(C)(C)OC(=O)NC1[C@@H]2CN(S(=O)(=O)Cc3cccc(B4OC(C)(C)C(C)(C)O4)c3)C[C@@H]12 2282496740 GTJJEDRXXOUQQM-QZTJIDSGSA-N 478.420 2.271 30 10 JEEE Cc1nc(S(=O)(=O)N2CC[C@@H](COCc3ccccc3)C2)c(B2OC(C)(C)C(C)(C)O2)n1C 2282504733 SUCLFURCPFZZOV-LJQANCHMSA-N 475.420 2.255 30 10 JEEE Cc1c(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282551325 CLCAHAWOBXSIIS-GOEBONIOSA-N 462.400 2.261 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCC(CNC(=O)C(F)(F)F)CC2)n1 2282551855 MNAVYKLVWLFJHH-UHFFFAOYSA-N 455.286 2.220 30 10 JEEE Cc1cc(C(=O)N[C@@]23CO[C@@H](C2)[C@@H](NC(=O)OC(C)(C)C)C3)oc1B1OC(C)(C)C(C)(C)O1 2282576119 MSECLFBOPOIEBS-LZDHAAFVSA-N 462.352 2.442 30 10 JEEE Cc1c(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)C2CCC2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282582322 VBTLHFXIRNJAKO-MRXNPFEDSA-N 462.400 2.451 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]3C[C@H]2[C@H]1[C@H]3NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2282583871 PPZCQTCOUBWKIB-QZLJAVCYSA-N 458.368 2.083 30 10 JEEE Cc1c(C(=O)N2C[C@H](CNC(=O)OC(C)(C)C)[C@@H](C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282599011 NIAQVKSOELPLSK-HOCLYGCPSA-N 462.400 2.261 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)C[C@H]1CO 2282658262 VHPSNWMPSCHQPK-LPHOPBHVSA-N 460.380 2.334 30 10 JEEE Cc1cc(S(=O)(=O)N2C[C@H](C)C[C@@H](NC(=O)C(F)(F)F)C2)sc1B1OC(C)(C)C(C)(C)O1 2282834293 RSAQMLHYCOKXEG-DGCLKSJQSA-N 496.382 2.433 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1CCC[C@@H]1NS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282864736 KDOPCXYETIRFBA-QAPCUYQASA-N 481.424 2.353 30 10 JEEE CC(C)(C)OC(=O)NC[C@H](CNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)C(F)(F)F 2283060822 OASOXDBBUUURNQ-LBPRGKRZSA-N 474.289 2.209 30 10 JEEE COc1ccc(NC(=O)[C@@H]2C[C@H](O)CN2C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2283944986 VCHMRORLDQXEJM-KSSFIOAISA-N 462.352 2.303 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1NC(=O)CN1CC(NC(=O)OC(C)(C)C)C1 2283952129 FERDZVTZMKYBCT-UHFFFAOYSA-N 461.368 2.142 30 10 JEEE COC[C@@H](ONC(=O)OC(C)(C)C)C(=O)N(C)[C@@H](C)c1nscc1B1OC(C)(C)C(C)(C)O1 2283966509 VQJMLSFLSXQLGD-DZGCQCFKSA-N 485.412 2.433 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@H](C(=O)Nc3ccnc(B4OC(C)(C)C(C)(C)O4)c3)[C@@H]2C1 2283980870 FRTPMKTWPYZCKO-ULQDDVLXSA-N 459.352 2.201 30 10 JEEE COC(=O)[C@H](CS(=O)(=O)Nc1ccc(C#N)cc1Cl)NC(=O)OCc1ccccc1 2286011362 CAVMDPWPFVJKLA-KRWDZBQOSA-N 451.888 2.421 30 10 JEEE COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)N1CCC(NC(=O)C(F)(F)F)CC1 2286118823 AEYFRRWEFTWFTD-UHFFFAOYSA-N 456.270 2.278 30 10 JEEE CC(C)(C)OC(=O)NCc1cn(CCNc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)nn1 2287099835 CIRCVGUDTOKVOS-UHFFFAOYSA-N 462.335 2.248 30 10 JEEE CC(C)(C)OC(=O)NCc1cn(CCNC(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)nn1 2287189794 QPUSIQAZSMIOJE-UHFFFAOYSA-N 477.396 2.094 30 10 JEEE COC(=O)c1ccc([C@H]2C(=C(O)c3cccs3)C(=O)C(=O)N2[C@H]2CCS(=O)(=O)C2)cc1 2296559550 PUAHSSGMDPQGAD-YOEHRIQHSA-N 461.517 2.144 30 10 JEEE Cc1ccc(C=CS(=O)(=O)NCC(=O)OCC(=O)Nc2sc3c(c2C#N)CCC3)cc1 2297336720 ZGSYZAKNNPKMIX-UHFFFAOYSA-N 459.549 2.489 30 10 JEEE COc1ccc(C=Nn2c(CNC(C)=O)nnc2SCC(=O)Nc2nccs2)c(OC)c1 2330748011 LBIHDDTZHFTVPS-UHFFFAOYSA-N 475.556 2.001 30 10 JEEE CCCN(CCC)C(=O)COc1ccc(C=Nn2c(COC)nnc2SCCO)cc1OC 2331612714 RXRCEMRDKPIENC-UHFFFAOYSA-N 479.603 2.427 30 10 JEEE COc1ccc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)O)cc1B1OC(C)(C)C(C)(C)O1 2339735020 DAPVYIMZCQVLFP-DYVFJYSZSA-N 450.341 2.207 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)N1CCc2scc(B3OC(C)(C)C(C)(C)O3)c2C1 2361640451 SDDQZMHCIBOAKF-YOEHRIQHSA-N 478.420 2.302 30 10 JEEE COC(=O)c1[nH]c(C)c(/C(O)=C2/C(=O)C(=O)N(CCN(C)C)[C@@H]2c2cccc(OC)c2)c1C 102483818 JGFZGUNFQQFTPL-HWCXCKHPSA-N 455.511 2.410 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](Oc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 204866701 LFONKNQWQAEQDU-DOTOQJQBSA-N 476.383 2.059 30 10 JEEE N#C[C@](N)(Cn1cnc(I)c1I)c1ccccc1 310721228 RCIVIWAGCDRPIN-LBPRGKRZSA-N 464.048 2.470 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(NS(=O)(=O)CCN2C(=O)c3ccccc3C2=O)c1 704370928 BLGOUSKVWXABMY-UHFFFAOYSA-N 470.356 2.332 30 10 JEEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1c(Br)cc(F)cc1Br 725826108 MXLDGAPOVIIOHO-SNVBAGLBSA-N 489.182 2.162 30 10 JEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1Cc1cccc(C(F)(F)F)c1 727418866 ZNSKQJFEIZHBHE-UHFFFAOYSA-N 459.449 2.375 30 10 JEEE C#CCN(C(=O)c1cccc(S(=O)(=O)Nc2ccc(OCC)cc2)c1)[C@H]1CCS(=O)(=O)C1 729331953 RXOBPYKBZPDJIS-IBGZPJMESA-N 476.576 2.149 30 10 JEEE C=CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC(=O)NCC(=O)O 757435303 LSXDMDVXATXXJL-OAQYLSRUSA-N 465.506 2.177 30 10 JEEE COc1ccc(C=NNc2nnc(SCC(=O)Nc3cccc(NC(C)=O)c3)n2N)cc1OC 1083890323 HKOZEZNVSXFTFC-UHFFFAOYSA-N 484.542 2.144 30 10 JEEE C=CCSc1nnc(NC(=O)CSc2nnc(NN=Cc3cnn(C(C)C)c3)n2N)s1 1084125989 KZKTUAGFZGJCCD-UHFFFAOYSA-N 479.621 2.076 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@H](CC)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1286389044 DTRTURLBHGUPTQ-WOJBJXKFSA-N 456.616 2.150 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@@H]1CCN(CCC)C1)[C@@H]1CCS(=O)(=O)C1 1286396129 VKVHOFYJRLGSGM-TZIWHRDSSA-N 473.618 2.367 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CC1(N(C)C)CCCC1)[C@H]1CCS(=O)(=O)C1 1286397041 RFIYZBAFHIIWBM-FQEVSTJZSA-N 489.617 2.497 30 10 JEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1CCC[C@H]1OC 1286402440 ZMMJFZZVFHMZRW-RTBURBONSA-N 454.600 2.435 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H](C)N1CCN(CC)CC1 1286426327 RRVLEYBGIDIMJQ-FQEVSTJZSA-N 472.597 2.083 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2C[C@H]2CN(CC(C)C)CCO2)CC1 1286479802 XSBIJZCNJAOMQA-XMMPIXPASA-N 450.631 2.289 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc2c(cc1OC)C[C@H](C)O2 1286516247 FEKZVSIEPHPFSK-NXHTTZLHSA-N 473.599 2.261 30 10 JEEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1286605060 ZMCJYBVSLPFSBY-UHFFFAOYSA-N 454.984 2.104 30 10 JEEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 1286785088 AVLHMCRGOYNHNK-UHFFFAOYSA-N 454.550 2.268 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1Cc1ccc(F)cn1 1288827989 BTQNEIZPHLCFAL-MRXNPFEDSA-N 499.572 2.390 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCCSC2)c1 1300332497 ICDRPJXHTCMRQW-MJGOQNOKSA-N 452.584 2.429 30 10 JEEE C#CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](C(=O)OC)C1 1300362976 BLJMUZSYDYKRFX-ROUUACIJSA-N 461.563 2.389 30 10 JEEE C#CCCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1300394566 SRGVDAQFQWCLAX-UHFFFAOYSA-N 494.596 2.037 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCOCC(=C)C)CC1 1300681743 AUDRWBYPFRYVNE-UHFFFAOYSA-N 456.978 2.209 30 10 JEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2ccc(F)cc2)C1 1301258025 JLQOQPXZVDBMLH-ICSRJNTNSA-N 464.563 2.490 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CN2CCCC2=O)n1C[C@@]1(O)CCO[C@@H]1C 1301338290 VGVPGBJVDOZHPH-KOSHJBKYSA-N 455.559 2.142 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CC2(N(C)C)Cc3ccccc3C2)C1 1301536246 SOCGAGDJKRNMIC-NRFANRHFSA-N 452.603 2.297 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCS(=O)CC1 1301577394 NTUWSLJSYBWTKW-UHFFFAOYSA-N 463.412 2.421 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CCC[C@@H]1c1nncn1C 1301593471 OCXGMXYHPRYMTD-LJQANCHMSA-N 471.587 2.236 30 10 JEEE CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 1311908097 CUGHBDSAHIQTRP-UHFFFAOYSA-N 454.552 2.170 30 10 JEEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCC(CC#N)CC3)n2CCC[C@H]2CCCCO2)C1 1316353563 AANXSWDDLQFCJV-WOJBJXKFSA-N 480.635 2.090 30 10 JEEE C#CCN(c1nnc(C)n1CC(CC)(CC)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1358956647 IUBFAVRFTCXKBF-QGZVFWFLSA-N 453.609 2.297 30 10 JEEE C#CCN(c1nnc(-c2csc(N3CCOCC3)n2)n1CCCCC=C)[C@@H]1CCS(=O)(=O)C1 1358960930 OKMRTJNYOMIFOH-GOSISDBHSA-N 490.655 2.221 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1ccc(OC)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1358964951 KOWNHYVEDKQNML-LJQANCHMSA-N 469.542 2.087 30 10 JEEE C#CCN(CC#CC)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@@H]1CC(=O)N(CCOC)C1 1358996854 VCJQPJKWNMSDDV-HXUWFJFHSA-N 458.566 2.308 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H](C)N(C)c2ccccc2)CC1 1359045059 VPYNMUUIPHHGDH-CTNGQTDRSA-N 450.587 2.273 30 10 JEEE C#CCSCCn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1359059972 GEOYNZRPPYNCJQ-HSZRJFAPSA-N 496.681 2.181 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1NC(=O)CC1(C)C 1359066352 YGROUFVNVRYORC-FDDCHVKYSA-N 455.584 2.255 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(N(C)C(C)=O)CC1 1359106517 GXGTUNBHSBRZQP-KIZRIRGWSA-N 461.607 2.430 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C2CC2)O[C@H](C)C1 1359189669 RBCSUGMAQNZQLW-QRQLOZEOSA-N 467.636 2.217 30 10 JEEE C=CCn1c(-c2cccc(OC)c2)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1359284559 XHPZQJUBAKUFBS-QRVBRYPASA-N 489.598 2.266 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCC(NC(C)=O)CC1 1359294246 OVSOTZIXRBWUET-UHFFFAOYSA-N 479.354 2.254 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1359295691 LAIKPYJMICVXTB-AWEZNQCLSA-N 491.390 2.075 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CC(C)(C)CN1CCOCC1 1359306046 ULKCRYIHZPURJV-TZIWHRDSSA-N 476.666 2.294 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCNC(=O)CC1 1359328215 XEBKPSUELRUIEZ-UHFFFAOYSA-N 482.610 2.280 30 10 JEEE C=CCOc1ccc(/C=C\C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)OC(C)(C)C)cc1OC 1460851855 ZAEAPRBEFHIEJA-SECOEOQKSA-N 451.541 2.241 30 10 JEEE COc1cccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@](C)(C#N)C2)c1OC 1504356125 GPMRGBSAMHHZAM-QVKFZJNVSA-N 462.576 2.084 30 10 JEEE C#CCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1507580360 BCTNKDYVRZSUEZ-KRWDZBQOSA-N 456.934 2.493 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@](C)(OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1507634062 KSGLFWNIYKSAMW-OFNKIYASSA-N 460.575 2.450 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CC1(COC)CCCCC1)[C@H]1CCS(=O)(=O)C1 1507635931 WJBJEGDLXXMCRK-NRFANRHFSA-N 471.627 2.488 30 10 JEEE C#CCN(CC#CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCCn1cc(CO)nn1 1507669640 OTBZGMJPYWJJNV-UHFFFAOYSA-N 496.616 2.030 30 10 JEEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCN(CC(F)(F)F)C1 1507713756 WHYSSFPYBRZBBJ-GOSISDBHSA-N 453.513 2.110 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H]2CCN(CCC)C2)CC1 1507715455 BGGOYZWLDBVNRO-OAQYLSRUSA-N 484.048 2.349 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC[C@@H](OC)C(F)(F)F)CC1 1507720209 SSIMMQCRPQUOTQ-YLJYHZDGSA-N 459.513 2.041 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCc2nnc(C)s2)CC1 1507735103 KOHDHNHUMLIADV-UHFFFAOYSA-N 495.609 2.331 30 10 JEEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 1507756354 MVOMJQHWWIQPFK-JTHBVZDNSA-N 495.697 2.447 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 1507791709 QIQLNSUORUOYJJ-POAQFYNOSA-N 490.630 2.242 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1CCCC1 1507800343 VAUNBPZCQDYCME-ZCNNSNEGSA-N 467.636 2.219 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC(=O)NC(C)C)C1 1508109989 QGHCHZIKDOUYGH-SFHVURJKSA-N 460.966 2.167 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(Cc2ccsc2)CC1 1508146837 CDFILZJTYRCESZ-GOSISDBHSA-N 451.618 2.114 30 10 JEEE CC(C)OC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC(F)(F)F)CCO1 1509846224 FPBAMIDCSOEDGK-GOSISDBHSA-N 496.490 2.037 30 10 JEEE CNS(=O)(=O)CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC(CC#N)CC1 1517627247 DYDOZJQPRMTXHJ-SFHVURJKSA-N 495.650 2.072 30 10 JEEE COC1CCN(C(C)(C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@H](CNC(C)=O)C2)CC1 1518594235 GRZDHFDHSPUVGD-HSZRJFAPSA-N 495.628 2.047 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccoc1 1519149560 ANRZCOVYIOXLRF-HXUWFJFHSA-N 455.540 2.346 30 10 JEEE C[C@@H](CNC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)Oc1ccc(Br)cc1 1523561937 AJMVYLNBRQWDHH-LBPRGKRZSA-N 452.330 2.071 30 10 JEEE Cc1nsc(N2CCN(C(=O)[C@@H]3COCCN3C(=O)OCc3ccccc3)CC2)c1C#N 1524103591 CCYFMTGZGYSOEW-IBGZPJMESA-N 455.540 2.009 30 10 JEEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1539506011 OOMGMIGQKAFLLA-UHFFFAOYSA-N 463.567 2.248 30 10 JEEE C=C(C)COCCn1c(N2CCN(c3ncccc3F)CC2)nnc1[C@@]1(OCC)CCOC1 1539760004 RBDGHUDTHFEQHS-HSZRJFAPSA-N 460.554 2.384 30 10 JEEE C=CC[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1)c1ccccc1 1539938471 ABYIXWMANYUAJS-TZIWHRDSSA-N 486.642 2.449 30 10 JEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C(C)(F)F)cc1 1540074269 XHGHCIDHPPHIJJ-QGZVFWFLSA-N 455.531 2.393 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1540875130 CCEMMAKABLHIAD-AOMKIAJQSA-N 461.950 2.197 30 10 JEEE CNC(=O)[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CC12CCN(C(=O)NCCOC)CC2 1548377983 JQHATYLCXVAJEN-SFHVURJKSA-N 467.492 2.197 30 10 JEEE CNC(=O)C(C)(C)Cn1c(Cc2ccncc2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1554376609 BTVVIYASYWZBBA-OAQYLSRUSA-N 459.554 2.486 30 10 JEEE N#C[C@]1(F)CCN(c2nnc(COc3ccccc3F)n2C[C@H]2CCCS(=O)(=O)C2)C1 1555985974 CITUWKCZEDBMDL-FOIQADDNSA-N 451.499 2.263 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1ccc(N(C)C)c(F)c1)[C@H]1CCS(=O)(=O)C1 1588054121 KSOTVFOZEHFJHG-OALUTQOASA-N 475.590 2.052 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CC1(OCC)CCCC1)[C@@H]1CCS(=O)(=O)C1 1588065002 QXUJWWDQISIJIT-HXUWFJFHSA-N 457.600 2.240 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCO[C@@H](C)C1 1588595628 WYQQYYFXYVVJPX-RBUKOAKNSA-N 475.615 2.097 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccccc2F)n1Cc1cccc(N2CCOCC2)n1 1588620064 MVTHTTXVRFQJNF-UHFFFAOYSA-N 450.518 2.450 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@]2(C)CCCO2)CC1 1588898755 AJPBLTQAFYDFFE-HSZRJFAPSA-N 452.515 2.388 30 10 JEEE C#CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1588974811 BWXMBORHSRSLFA-MOPGFXCFSA-N 487.029 2.475 30 10 JEEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1593691436 WCUNIZAPRPPJSZ-UHFFFAOYSA-N 461.655 2.004 30 10 JEEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(C(=O)NC)CC1 1594692768 FUWXDAJNMGJVSN-UHFFFAOYSA-N 460.604 2.124 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCn2nc(C)nc2C1 1595477690 XOBFBFGMTSSITQ-QGZVFWFLSA-N 450.547 2.257 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1595602708 PBYRWJRNFDTIGB-GPQLQYNLSA-N 474.650 2.046 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@@](C)(C(N)=O)C1 1595760117 KTPKDNKHVZMNNA-FDDCHVKYSA-N 475.615 2.337 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1595789688 ZVBKCSDVGZCAHU-HXUWFJFHSA-N 471.587 2.044 30 10 JEEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCN(c3c(Cl)cccc3Cl)CC2)cc1 1611140636 HZBBACZHQXQOOF-UHFFFAOYSA-N 453.351 2.492 30 10 JEEE C[C@H]1CN(C(C)(C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(OCC(N)=O)CC2)C[C@H](C)O1 1612873371 ARMZHCHCFLRULK-OALUTQOASA-N 495.628 2.175 30 10 JEEE CCCC1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@](F)(C#N)C2)CCC1 1614425929 FBZYICXYEBREOO-UZLBHIALSA-N 454.572 2.023 30 10 JEEE C=CCN1CC[C@@H](N(C)CC(=O)Nc2cccc(S(=O)(=O)N(C)c3ccccc3)c2)C1=O 1617561976 KYRGSGCLAKOLAQ-OAQYLSRUSA-N 456.568 2.169 30 10 JEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC(n3cc(Br)cn3)CC2)cc1 1627069272 XBVWMZNPUQKADA-UHFFFAOYSA-N 451.346 2.034 30 10 JEEE C#CC[C@@]1(C(=O)N2CCC(Oc3ccnc(C(N)=O)c3)CC2)CCCN1C(=O)OC(C)(C)C 1631781864 QEQPPUBCNCBMFO-DEOSSOPVSA-N 456.543 2.343 30 10 JEEE C#C[C@H](NS(=O)(=O)CCNS(=O)(=O)c1ccccc1)c1ccc(Br)cc1 1663548142 JFJBROQBYBYLAP-KRWDZBQOSA-N 457.371 2.021 30 10 JEEE CCOc1cc(NC2CCN(C(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC2)ncn1 1679944033 GEZZQLNUYJVBSK-RDJZCZTQSA-N 459.551 2.220 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1Cc1cc(C)no1)[C@@H]1CCS(=O)(=O)C1 1689981878 CVCYKRZIILLUJC-OAHLLOKOSA-N 493.387 2.018 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@](C)(OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1689984783 VMCAGEJTZLOJJB-CVDCTZTESA-N 458.584 2.396 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCc1noc(CC)n1 1690013064 AGISOOWWQKUDAF-UHFFFAOYSA-N 470.537 2.497 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccncc1 1690088466 MDDZWAMPCQUAIR-QGZVFWFLSA-N 456.547 2.305 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc(Cl)cc3)n2Cc2ncn(C)n2)n1 1690109457 RWQSUHKXUBDDAF-UHFFFAOYSA-N 465.949 2.258 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H](C)Oc2ccccc2C)CC1 1690113630 PDZOJTGPLAJDPT-SQJMNOBHSA-N 453.587 2.461 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2CC2(N(C)C)CCCC2)CC1 1690133317 BOWFYZNTLHAMFW-UHFFFAOYSA-N 452.603 2.495 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@]2(C)CCCS2)CC1 1690137866 KRDCJVKHAVFCRE-XZOQPEGZSA-N 461.632 2.182 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC2C[C@H](C)O[C@@H](C)C2)CC1 1690138260 XEGPIRNVKNGWKA-DYLHXGEVSA-N 487.645 2.488 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2C[C@@H]2CCOC[C@@H]2OC)CC1 1690140387 XENZPFSBRNYMDR-RXVVDRJESA-N 455.534 2.102 30 10 JEEE C#CCSCCn1c(-c2ccccc2F)nnc1N1CCN(Cc2nc(COC)no2)CC1 1690167710 NVKGXIGUSDTJNN-UHFFFAOYSA-N 471.562 2.302 30 10 JEEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1690361244 MABRIQFHPURSLW-ULQDDVLXSA-N 471.986 2.485 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(Cl)c2c(c1)OCCO2 1690622049 GTIXLXGTHKCLDZ-MRXNPFEDSA-N 482.990 2.292 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)c2cccs2)C1 1690700771 XOGZZWXOGZIIBQ-ZWKOTPCHSA-N 495.671 2.432 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1690725447 QGKNMJYQUHOYIG-UHFFFAOYSA-N 477.679 2.140 30 10 JEEE CCCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)cc1 1695455053 BWNBHFDNNZJDLW-MGPUTAFESA-N 450.540 2.167 30 10 JEEE CCN(C)C(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@](F)(C#N)C1 1695504084 HDSQCMJKFYQOFM-OPAMFIHVSA-N 463.558 2.313 30 10 JEEE COc1cc(OC)cc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)c1 1697302417 BSORMYOHIGUNCB-BWKNWUBXSA-N 499.591 2.347 30 10 JEEE C#CCN(c1nnc(-c2ccc(Br)s2)n1CCOCC)[C@@H]1CCS(=O)(=O)C1 1705561286 OURQPXZANXNTSA-CYBMUJFWSA-N 473.418 2.432 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1OCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1705563132 RCGSWRIMMNFYIB-WOJBJXKFSA-N 453.568 2.259 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@H](OC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1705569617 FFUFHRZKOGSMKA-UZLBHIALSA-N 466.554 2.445 30 10 JEEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCCN(c2nc(C)ns2)CC1 1705907715 UZJJXNUBPQEIEC-UHFFFAOYSA-N 482.614 2.078 30 10 JEEE C=CCNC(=O)Cn1c(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)nnc1[C@]1(OC(C)C)CCOC1 1705908644 GDXIXNCZZHZARZ-KOSHJBKYSA-N 492.621 2.067 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1705931326 MMAOSZYKAACHEN-MJGOQNOKSA-N 475.615 2.236 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)cc1OCC1CC1 1722296492 QOZRZNUPZIQRKZ-AVRDEDQJSA-N 487.626 2.214 30 10 JEEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 1722307457 WOSYZFOTKJKGEO-UHFFFAOYSA-N 452.534 2.306 30 10 JEEE C#CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1722314318 LPVGEAOHSRRHBQ-DLBZAZTESA-N 480.660 2.300 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1cc(F)ccc1OC)[C@@H]1CCS(=O)(=O)C1 1722369186 VRYRKAGPAMKPHG-UYAOXDASSA-N 462.547 2.342 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC[C@H]2C[C@H](F)C2)CC1 1722438551 YRJKRYJIEJVELG-VAMGGRTRSA-N 476.597 2.480 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCCCN2C[C@@H](C)C[C@@H](C)C2)CC1 1722441167 MQIOLJWBYDYEKF-OYRHEFFESA-N 485.677 2.140 30 10 JEEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(C(=O)N2CCCC2)CC1 1722479383 HTWDVBRAXBCMCP-MRXNPFEDSA-N 471.400 2.249 30 10 JEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)NC2CCCCC2)CC1 1740589754 BBKRCUAMHHZKDW-LJQANCHMSA-N 461.632 2.259 30 10 JEEE C#CCCCn1c(CCOc2ccccc2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1740594139 CEKKAKXOOCZVDU-HXUWFJFHSA-N 457.600 2.317 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H](OC)c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1740620657 GGUQBHHJLWOPEA-ICSRJNTNSA-N 457.531 2.427 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1CCN1CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1740621372 WHANEWSNTVMMFO-MOPGFXCFSA-N 487.626 2.073 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H](CC)Oc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1740621744 OQHXZGZMAABYMS-RTBURBONSA-N 486.573 2.302 30 10 JEEE C#CCN(c1nnc(C2CCCC2)n1CCNC(=O)Cc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1740623542 WJRHYWFSADFKTG-OAQYLSRUSA-N 487.601 2.060 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1C[C@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1740628853 VLKCHYUNQWYHTE-PMACEKPBSA-N 459.616 2.051 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCN(C)CC(F)(F)F)CC1 1740693172 WKRBYNFFQRLZHS-UHFFFAOYSA-N 466.508 2.212 30 10 JEEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2sccc2Br)CC1 1740698915 PVEKZSZQOMDSPA-UHFFFAOYSA-N 463.405 2.028 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2Cc2cccnc2OCCC)CC1 1740704710 RXHFNFJJQOJDPH-UHFFFAOYSA-N 461.570 2.482 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCC(NC(=O)COC)CC1 1740761899 ZQFLMXVDANLWAW-VGSWGCGISA-N 474.631 2.346 30 10 JEEE C=C1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCOCCS(C)(=O)=O)CC1 1740829830 LWXJONGQBBHVSS-HDICACEKSA-N 483.635 2.266 30 10 JEEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1740876915 XRMNXVFNLGEDTA-KRWDZBQOSA-N 458.563 2.484 30 10 JEEE C=CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@H](C)N1CCOCC1 1740897738 SHZBANMIHWJVTH-GOSISDBHSA-N 451.575 2.408 30 10 JEEE C=CCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1740943854 BWHUWFODENDASU-AWEZNQCLSA-N 471.425 2.340 30 10 JEEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1740963538 NYZUPJQVKLSAOP-FQEVSTJZSA-N 476.585 2.363 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(Cc3ccsc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1740983927 SLTWPKCSUHAFQC-UNEBPCJRSA-N 454.556 2.238 30 10 JEEE C#C[C@H](C)N(C)c1nnc(COc2cccc(C)c2)n1CCS(=O)(=O)N1CCSCC1 1748684316 GPKWNEMVXFAUGZ-SFHVURJKSA-N 463.629 2.002 30 10 JEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCc1ccc(C)cc1C)[C@H]1CCS(=O)(=O)C1 1748802112 LDUUXVXRCUBWGM-NRFANRHFSA-N 469.611 2.000 30 10 JEEE C#CCN(c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(C)(C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1748810662 ZFGQSJLVGFOYDM-HXUWFJFHSA-N 482.614 2.230 30 10 JEEE C#CCN(c1nnc(-c2nnc(O)c3ccccc23)n1CCCOC(C)C)[C@H]1CCS(=O)(=O)C1 1748814753 IWLLOZUPHSEHCO-KRWDZBQOSA-N 484.582 2.036 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1748814845 KBGSZEFDPGJKKY-BURNTYAHSA-N 493.674 2.034 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(F)c(F)c1F 1748892660 UPYPCQAFLHDEMR-INIZCTEOSA-N 450.486 2.303 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CC(=O)NCC=C)CC1 1748999167 KXLYBTOQMXHYHR-UHFFFAOYSA-N 463.369 2.221 30 10 JEEE C#CCSCCn1c(N(C)CC(=O)NC(C)C)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1749047844 DYGXDIKFCOYRLV-CALCHBBNSA-N 464.636 2.376 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(C(=O)NC)cc1 1749129903 HZXLNRPWLUHDOJ-ACRUOGEOSA-N 487.626 2.157 30 10 JEEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](C)O[C@@H](COC)C1 1749195722 YSUVJICMJJKFSS-KSZLIROESA-N 451.568 2.403 30 10 JEEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1cccc(C)c1)N1CCOCC1 1749488937 PGWWREKYAQPGTG-LEWJYISDSA-N 459.616 2.184 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCO[C@H](Cn2cccn2)C1 1749658832 WDKCTSDMNNKJGI-KRWDZBQOSA-N 471.949 2.011 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC(n2ccc(C(F)(F)F)n2)CC1 1749669417 KLEYRXDCIUHQBQ-AWEZNQCLSA-N 453.469 2.141 30 10 JEEE N#Cc1cccc(-c2nnc(N3CCC(CCC(N)=O)CC3)n2C[C@H]2CCCN2CCCO)c1 1750381012 GEUBWPNMCNFERL-JOCHJYFZSA-N 465.602 2.145 30 10 JEEE CC(C)N(C)CCCn1c(-c2ccccn2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1750878545 FBWLTZDUKPPMMZ-LJQANCHMSA-N 460.590 2.447 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1760126843 KIEKVYJMUCIKRS-CJMKZDRPSA-N 483.573 2.033 30 10 JEEE C#CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1C[C@H](C)O[C@H](COC)C1 1760135322 RGPCVNVINNTOPA-ROUUACIJSA-N 460.604 2.282 30 10 JEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 1760138236 UODCVNGGLRCSPX-GOSISDBHSA-N 464.613 2.024 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](c2ccc(F)cc2)C1 1760154836 JZDSFCVGEYTMSH-UYAOXDASSA-N 461.563 2.157 30 10 JEEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H](C(CC)CC)N1CCOCC1 1760170617 JKPSXMYBFJSNRZ-JOCHJYFZSA-N 477.613 2.398 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1CCc1c(OC)cc(OC)cc1OC)[C@@H]1CCS(=O)(=O)C1 1760182357 IYUIWSBLOWRQJA-QGZVFWFLSA-N 490.626 2.471 30 10 JEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1Cc1cc(C)nn1C)[C@H]1CCS(=O)(=O)C1 1760187838 YEFXHEMXJQNPCC-IBGZPJMESA-N 473.002 2.239 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCN1C[C@@H](C)O[C@H](C)C1 1760202029 QNBJIYFQGFXBFC-NHCUHLMSSA-N 487.608 2.247 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1Cc1cc(OC)c(OC)c(OC)c1 1760208365 QOAIDLQRKCGOFS-UHFFFAOYSA-N 451.527 2.051 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)CC1 1760257291 SVYCLUGPHYPUNU-RTBURBONSA-N 464.611 2.013 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCC2CCCC2)CC1 1760269411 HQXFWQGABGESOW-FQEVSTJZSA-N 461.632 2.116 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CC[C@@H](N2CCCC2=O)C1 1760519788 PPUVWPJBJGXINU-OAHLLOKOSA-N 473.375 2.211 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1760527029 XJLQQJMYUWKJQJ-KRWDZBQOSA-N 460.966 2.117 30 10 JEEE C=CCOc1ccccc1Cn1c(CN2CCCC2=O)nnc1N1CCN(C(C)=O)C[C@H]1C 1760533215 CITCUSSIHALIQQ-GOSISDBHSA-N 452.559 2.071 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@H]1CCCS1 1762293201 DXXVFABNFWNDDO-SJLPKXTDSA-N 483.646 2.469 30 10 JEEE CCN(C)C(=O)Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCO[C@H](C#N)C1 1764680162 GFNABJBKRVLYLG-LJQANCHMSA-N 450.499 2.324 30 10 JEEE COc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC(CC#N)CC2)c(OC)c1OC 1768663430 CXXWBYBQDHVBNA-KRWDZBQOSA-N 454.531 2.433 30 10 JEEE CN(C(=O)c1cccc(C#N)c1)c1ccc(NS(=O)(=O)CCN2C(=O)c3ccccc3C2=O)cn1 1858265563 LNUWCENUFVAENZ-UHFFFAOYSA-N 489.513 2.268 30 10 JEEE CN(CCc1ccncc1)C(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2cccc(C#N)c2)cc1 1858987785 MEYUSSJORKRCGW-UHFFFAOYSA-N 491.573 2.499 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCO)[C@H]2c2ccc(O)c([N+](=O)[O-])c2)cc1OC 1862580196 ZESGKCMNBWVRFG-IBGZPJMESA-N 458.423 2.278 30 10 JEEE COC(=O)c1ccc(NC(=O)[C@H](CO)NC(=O)C2CCN([C@@H](C#N)c3cccs3)CC2)c(C)c1 1866868540 UYSCOZXMNPOPNB-PMACEKPBSA-N 484.578 2.236 30 10 JEEE O=C(NCC#CCN1CCc2ccccc2C1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 1891432746 RYVIXHKNVZEUCM-JOCHJYFZSA-N 469.582 2.404 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)N1C[C@H](O)C[C@@H](NC(=O)OC(C)(C)C)C1 2060127263 GTQFJUYRPRTUBT-ZACQAIPSSA-N 454.568 2.450 30 10 JEEE CC(C)(C)OC(=O)N1CC(O)(CC(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2124539274 SZQDIPYPJADVTF-UHFFFAOYSA-N 450.316 2.435 30 10 JEEE CC(C)(C)OC(=O)NC[C@H](O)CCC(=O)NCCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2180969974 IDQBOWUVVVLVJI-LJQANCHMSA-N 462.396 2.310 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)O1 2193845517 KQXBDAQDIBOGGV-HOTGVXAUSA-N 462.356 2.177 30 10 JEEE C[C@H](NC(=O)c1ccsc1B1OC(C)(C)C(C)(C)O1)C1(O)CN(C(=O)OC(C)(C)C)C1 2255797796 LRZHPJXLBNZUNU-ZDUSSCGKSA-N 452.382 2.147 30 10 JEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1csc(B2OC(C)(C)C(C)(C)O2)c1 2255845407 JDRRAZGELIPVIR-HUUCEWRRSA-N 452.382 2.411 30 10 JEEE CC1(C)OB(c2scnc2CS(=O)(=O)NC[C@H]2CCN2Cc2ccccc2)OC1(C)C 2255931321 JEPGLOSGDKFMSI-QGZVFWFLSA-N 463.434 2.136 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)NCc2sccc2B2OC(C)(C)C(C)(C)O2)C1 2256741051 DMYTYOAWMAPVGA-OAQYLSRUSA-N 452.382 2.035 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2C[C@H]3CCO[C@]3(CNC(=O)OC(C)(C)C)C2)C1 2266484489 IIOSDYOOJKNSBK-JXFBJGELSA-N 463.575 2.435 30 10 JEEE Cc1nc(C(=O)N[C@H]2COCC[C@H]2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2267172001 RIDCPNLHIHSICM-KGLIPLIRSA-N 467.397 2.163 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@@H](NC(=O)C(F)(F)F)C[C@@H]1C 2267521197 ROZKLLBBISHBNK-CMPLNLGQSA-N 461.315 2.422 30 10 JEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N(C)CC1(O)CN(C(=O)OC(C)(C)C)C1 2271676572 AUXHTFBUWXPBCI-UHFFFAOYSA-N 466.409 2.410 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H]2CCN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)C[C@@H]2C1 2281978829 JENFREWJJWURRI-HZPDHXFCSA-N 460.384 2.428 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC(C3CN(C(=O)OC(C)(C)C)C3)C2)n1 2282003718 AYFSMEAGHORDQB-UHFFFAOYSA-N 460.384 2.141 30 10 JEEE C[C@H]1CC[C@@H](CNC(=O)OC(C)(C)C)N(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)C1 2282038656 LFAZVCLOZOKRHT-HOTGVXAUSA-N 462.400 2.485 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H]2OCCN(C(=O)c3sncc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2282055802 JJQYMLGRMVNHTO-HOTGVXAUSA-N 479.408 2.293 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1OC 2282121197 ACFZLQSFTUZCPU-FUHWJXTLSA-N 463.384 2.171 30 10 JEEE CC(C)(C)OC(=O)N1[C@@H](CNC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)COC1(C)C 2282172142 SOHSKOIEMGTZTJ-HNNXBMFYSA-N 461.368 2.483 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2C(NS(=O)(=O)c3ccc(F)c(B4OC(C)(C)C(C)(C)O4)c3)[C@H]2C1 2282499534 DJDFISGELSMHEO-GJZGRUSLSA-N 482.383 2.269 30 10 JEEE Cn1cc(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 2282542333 IFLYPMKXBXXGKS-DJIMGWMZSA-N 460.384 2.237 30 10 JEEE CN(C(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1)[C@@]1(CNC(=O)OC(C)(C)C)CCOC1 2282664990 KBJUORUTHJYGBY-HSZRJFAPSA-N 461.368 2.137 30 10 JEEE CN(C)C(=O)CN(Cc1ccccc1)S(=O)(=O)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2282836151 GNJXLCHOFBMXFE-UHFFFAOYSA-N 472.416 2.406 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)[C@@H](C(F)(F)F)C1 2283967252 ANPPJDKJKNPYJJ-MNOVXSKESA-N 492.329 2.243 30 10 JEEE Cc1nc(NC(=O)COC2(C)CN(C(=O)OC(C)(C)C)C2)ncc1B1OC(C)(C)C(C)(C)O1 2283982943 DWNLOOQFMZDUDG-UHFFFAOYSA-N 462.356 2.049 30 10 JEEE COC[C@@]1(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)CCCCN1C(=O)OC(C)(C)C 2284057908 FUZQCZAZGSITJO-OAQYLSRUSA-N 482.412 2.004 30 10 JEEE CC(C)(C)OC(=O)NC1(C(=O)N2CCc3cccc(B4OC(C)(C)C(C)(C)O4)c3C2)COC1 2284062659 HOEFXBPSLDJZND-UHFFFAOYSA-N 458.364 2.164 30 10 JEEE Cc1cnc(C(=O)N[C@@H](CN(C)Cc2ccccc2)C(=O)O)c(B2OC(C)(C)C(C)(C)O2)c1 2284474015 FZAPNINDXCPVLC-IBGZPJMESA-N 453.348 2.004 30 10 JEEE CO[C@@H]1CN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2C)C[C@H]1NC(=O)OC(C)(C)C 2285198636 PIPRHGAHSIPSSE-IAGOWNOFSA-N 461.368 2.053 30 10 JEEE CC1(C)OB(c2cc(S(=O)(=O)N3CCC(NC(=O)C(F)(F)F)CC3)ccc2Cl)OC1(C)C 2286111485 JNXGQZOACGWULY-UHFFFAOYSA-N 496.744 2.471 30 10 JEEE CC(C)N1C[C@@H](c2nnc(SCC(=O)NCc3ccco3)n2N=Cc2cccnc2)CC1=O 2329021279 WKJKHELFUWDMTG-KRWDZBQOSA-N 467.555 2.281 30 10 JEEE CC(C)(C)OC(=O)N1CC(OCCCN=c2[nH]ccc(B3OC(C)(C)C(C)(C)O3)c2F)C1 2337135448 LJMWBXMKIRFTEG-UHFFFAOYSA-N 451.348 2.380 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1 2362358070 VMNJVFSRVXTZJH-HZPDHXFCSA-N 460.384 2.191 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(C2CC2)C2CN(C(=O)OC(C)(C)C)C2)n1C 2362578948 RUDGBLWJKXZZRB-UHFFFAOYSA-N 460.384 2.252 30 10 JEEE COc1cc(/C=N/Nc2nnc(SCC(=O)Nc3ccccc3C#N)n2N)cc(OC)c1OC 20920336 PYCXIHJVHOSZLK-BHGWPJFGSA-N 482.526 2.066 30 10 JEEE C=CCNC(=O)CN1CCN(C(=O)c2cc(S(=O)(=O)Nc3ccccc3C)ccc2C)CC1 32826610 QYPUNYYFUXQYRI-UHFFFAOYSA-N 470.595 2.164 30 10 JEEE C#CCN(C(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 729330400 CMRMDMKIPKUBMS-HXUWFJFHSA-N 495.022 2.180 30 10 JEEE C#CCN(C(=O)c1cc(S(=O)(=O)N2c3ccccc3C[C@H]2C)ccc1F)[C@@H]1CCS(=O)(=O)C1 729333581 ZGOLTHKGOKCZSE-SJLPKXTDSA-N 490.578 2.228 30 10 JEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1cccc(Cl)c1 729668398 HZQZZCFXDDIBSU-UHFFFAOYSA-N 461.934 2.005 30 10 JEEE C=CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)c2ccc3c(c2)CCN3C(=O)CC)c1 918956998 OEFAYJVOWLMABS-UHFFFAOYSA-N 456.520 2.490 30 10 JEEE N#C[C@H]1CN(S(=O)(=O)c2ccccc2S(=O)(=O)C(F)F)CCN1Cc1ccccc1 1209574786 DASBCGQVGAEIKP-INIZCTEOSA-N 455.508 2.082 30 10 JEEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N1CCCN(Cc2nc([C@@H](C)OC)no2)CC1 1286350282 YICKGTILBPCJJL-RTBURBONSA-N 457.579 2.388 30 10 JEEE C#CCN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1286360673 ILFDXEATPTVNFA-HZPDHXFCSA-N 451.980 2.422 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccc(OC)nc1OC 1286438264 SRMXNTSSHBLDGK-UHFFFAOYSA-N 455.540 2.269 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)c2ccc(F)cc2)CC1 1286485069 BYIXVBMWISGRJF-GOSISDBHSA-N 466.561 2.423 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2cccc(CS(C)(=O)=O)c2)CC1 1286492142 CVNYUBAJKTZRGO-QFIPXVFZSA-N 499.637 2.078 30 10 JEEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1286619868 DWXGXQFITKVYRT-LSDHHAIUSA-N 477.031 2.477 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(c2c(F)cccc2OC)CC1 1286789380 RNWAVWZSYDLMHB-UHFFFAOYSA-N 465.533 2.040 30 10 JEEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1286790719 OJPYQALLAOOFIY-UHFFFAOYSA-N 471.627 2.303 30 10 JEEE CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@H](C)CC#N)N1CCc2ccccc2C1 1292169856 BCTKJAJNTNNIDA-DBXWQHBBSA-N 473.647 2.464 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1CCc1ccc(OCCN(C)C)cc1)[C@H]1CCS(=O)(=O)C1 1300483892 MWPDMMQQJMVPOL-NRFANRHFSA-N 487.670 2.385 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1300496903 WHRYEQHOEBDSDS-GUDVDZBRSA-N 495.646 2.054 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2Cc2ccccc2CN2CC[C@H](O)C2)CC1 1300711846 IWRICUSKITWWGV-RDPSFJRHSA-N 478.641 2.372 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCCNC(=O)c2occc2C)CC1 1300723013 OTSFCHWLRJJXEN-HXUWFJFHSA-N 482.585 2.207 30 10 JEEE C#CCSCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1300740851 GAEQOKOBANMODY-INIZCTEOSA-N 486.573 2.444 30 10 JEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1301196502 CPFIZKHXCOKUQP-KRWDZBQOSA-N 456.613 2.159 30 10 JEEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C(F)(F)F)C2)cc1 1301517566 ANAPDNKOUGAWFY-WMLDXEAASA-N 489.520 2.269 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)OCC)CC1 1301529590 NEGWEMXPLFOYQY-GOSISDBHSA-N 454.531 2.121 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@]2(CCOC2)C1 1301593935 YBIKHLGEKHNJLL-OAQYLSRUSA-N 482.990 2.107 30 10 JEEE CC(C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1303426983 DJNXCAPCCJOOEI-XMMPIXPASA-N 462.558 2.217 30 10 JEEE CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@](F)(C#N)C1)Oc1ccccc1F 1305804550 HWWXWIABLLUEAU-MDOVXXIYSA-N 468.530 2.327 30 10 JEEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](c2cccc(OC)c2)c2cc(F)ccc2OC)C1=O 1355405353 MPDUYBCYTIXGCR-HXUWFJFHSA-N 455.442 2.025 30 10 JEEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2cc(OC)cc(OC)c2)CC1 1358911450 UODUWXDSAVRSTO-JOCHJYFZSA-N 466.586 2.372 30 10 JEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2ccnc(C)n2)CC1 1358933885 HLQNAQSPNHLVFK-UHFFFAOYSA-N 450.572 2.108 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H](C)Cc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1358963013 AHUCNZLVVVVWGS-TYPHKJRUSA-N 472.611 2.296 30 10 JEEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2Cc2cc(Cl)c(OC)c(OC)c2)CC1 1359034363 NPBGNHWAAKTWFQ-UHFFFAOYSA-N 455.950 2.153 30 10 JEEE C#CCSCCn1c(N2CCCC[C@H](S(C)(=O)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1359062080 VPPGSSADXQXFMO-GHTZIAJQSA-N 470.661 2.089 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@](O)(c2ccccc2F)C1 1359091823 SPUCXXJIASMHKV-XLJIZYSNSA-N 493.605 2.107 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1359329982 BKFMLOJNRFCUCM-KRWDZBQOSA-N 462.620 2.016 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1 1359332914 KGJBZAOZCGIXEM-IRXDYDNUSA-N 453.609 2.277 30 10 JEEE CC(C)NC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1360288693 BQGLVJPONTUIRW-UHFFFAOYSA-N 466.615 2.345 30 10 JEEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)C(C)(C)C)C[C@]2(CCOC2)O1 1494252434 HZMVKPOGQAYWAT-OSPHWJPCSA-N 452.559 2.363 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCN1CCCCC1=O 1507520413 CKLXNIOOBVNUTH-SFHVURJKSA-N 472.615 2.056 30 10 JEEE C#CCCCn1c(N2CCN(C(=O)N3CCCCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1507600209 XAYGDUCLXNSEBP-XMMPIXPASA-N 458.607 2.460 30 10 JEEE C#CCN(c1nnc(CC)n1CCc1ccc(OCC(F)(F)F)nc1)[C@H]1CCS(=O)(=O)C1 1507633093 CJTSSVITVDEGBS-INIZCTEOSA-N 471.505 2.046 30 10 JEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1C[C@H]1CCN(CC)C1)[C@H]1CCS(=O)(=O)C1 1507635518 WQBYLVPLXPECCE-FPOVZHCZSA-N 476.046 2.491 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCC(=O)NCCC)CC1 1507735042 IFWIYSDRYIJJKF-UHFFFAOYSA-N 456.978 2.481 30 10 JEEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cc(Cl)ccn1 1507775534 OXBMCWUIGNTTSL-LLVKDONJSA-N 463.789 2.482 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](NC(=O)CC)C1 1507810104 ZGUXOKPWPAEEEC-PAPPXSOASA-N 461.607 2.478 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(=O)c2ccccc2F)CC1 1507868220 FUODBSDFOULDIV-MRXNPFEDSA-N 481.981 2.424 30 10 JEEE C=CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1507942926 UZWPYUOMCAMVEY-UHFFFAOYSA-N 452.559 2.425 30 10 JEEE C=CCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1507942939 XSUGTUFFKKFJSO-QGZVFWFLSA-N 461.588 2.448 30 10 JEEE C=CCn1c(COc2ccccc2OC)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1508070921 MSSKYBNGFWXOHS-KRWDZBQOSA-N 451.531 2.449 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](CC)NC(=O)OC(C)(C)C)C1 1508125132 NWWZRTBIPHXMIQ-RCCFBDPRSA-N 483.635 2.265 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(CC)Cc1c(F)cccc1F 1508132387 XWPSKLQAMKEYHQ-UHFFFAOYSA-N 467.542 2.420 30 10 JEEE C=CCSCCn1c(-c2cccc(C)n2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1508156448 XYLKTJJTBABRNP-UHFFFAOYSA-N 450.634 2.428 30 10 JEEE CC(=O)N1CCC(Cn2c(-c3cc(Br)cn3C)nnc2N2CCO[C@H](C#N)C2)CC1 1508202954 MWAWKZZJTPTQQQ-QGZVFWFLSA-N 476.379 2.033 30 10 JEEE CC(C)CC[C@](C)(O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](C#N)C1 1509251562 BMNDDGINXOQMON-AVRDEDQJSA-N 461.588 2.265 30 10 JEEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)N(C)C1CCCCC1 1517105416 HPYHIWLNRNYBNA-FQEVSTJZSA-N 484.626 2.479 30 10 JEEE COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC2(S(C)(=O)=O)CC2)cc1Br 1518165087 CGOLSSIIASNTPW-AWEZNQCLSA-N 496.387 2.022 30 10 JEEE CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N3CCCc4c(C#N)cccc43)c2)CC1 1527653472 NPQQTHZZIAJBRS-UHFFFAOYSA-N 452.536 2.004 30 10 JEEE C#CCN(c1nnc(CCOc2ccccc2)n1Cc1c(CC)noc1C)[C@H]1CCS(=O)(=O)C1 1539230507 NINHKGSUOTWGGA-IBGZPJMESA-N 483.594 2.433 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCC2(COC)CCC2)CC1 1539459891 RGNZTXZOMBHFFK-UHFFFAOYSA-N 456.616 2.232 30 10 JEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(Cc2ccc(C(N)=O)cc2)CC1 1542923989 OBZMDWDAAXTADU-GOSISDBHSA-N 450.967 2.466 30 10 JEEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@](C)(O)c2cccs2)C1 1547780025 HQNVIQLGESHVNI-AVRDEDQJSA-N 486.623 2.304 30 10 JEEE CNC(=O)[C@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CCN1S(=O)(=O)c1cccc(F)c1 1548369284 UTTBKXCUILGVSQ-GOSISDBHSA-N 470.448 2.342 30 10 JEEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H](C)c2ccc(S(C)(=O)=O)c(OC)c2)c1 1562026606 HLVRHABJQKLYOL-CQSZACIVSA-N 452.554 2.054 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(CS(C)(=O)=O)cc1 1587667856 NYNWVTMSLWZGDS-MRXNPFEDSA-N 471.608 2.320 30 10 JEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1587823698 WHGZSWHUEHBFBL-DENIHFKCSA-N 471.627 2.309 30 10 JEEE C#CCN(C)c1nnc(COc2ccc(C#N)cc2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1588017003 ZRFCUBTYJLHWGP-IBGZPJMESA-N 462.476 2.451 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1CCc1nc(C(C)(C)C)cs1)[C@@H]1CCS(=O)(=O)C1 1588049187 BMSDCPXVIUQPCR-MRXNPFEDSA-N 485.639 2.359 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1ccc(OC(C)C)nc1)[C@H]1CCS(=O)(=O)C1 1588055410 VTUKLCMLSSJEML-UXHICEINSA-N 473.599 2.029 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@H]2CCCCS2(=O)=O)CC1 1588752511 SXLWLMICOIWSNS-RBUKOAKNSA-N 475.590 2.280 30 10 JEEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 1589060596 UMWWKOGDNHTBCC-SJLPKXTDSA-N 463.629 2.383 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1589482447 JXCSCHJGOSKOOA-SXLOBPIMSA-N 457.579 2.192 30 10 JEEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1593763859 RLHAXCLVKUCGEH-UHFFFAOYSA-N 482.589 2.428 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1595577308 OXKHDBBYRFMSJF-INIZCTEOSA-N 477.491 2.104 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 1595785356 XXJAZXVQXFXOOA-SFHVURJKSA-N 476.647 2.262 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N(C)C[C@H]1CN(CC)c2ccccc2O1 1595788641 FEXIXNKHJDJAEE-SFHVURJKSA-N 483.598 2.060 30 10 JEEE CC(=O)N(C)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCO[C@@H]2CCOC2)CC1 1595929212 WUCWLBMWPYDQLB-JOCHJYFZSA-N 452.559 2.459 30 10 JEEE COc1cc(N=C2N[C@H]3[C@@H](S2)[C@H](C(=O)N(C)Cc2ccccc2)C[C@@H](O)[C@H]3O)cc(OC)c1 1614399296 FFVCFUPHXIKICE-LMYCIYFBSA-N 471.579 2.165 30 10 JEEE COc1cc(OC)cc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@H]2CCCN2CCCO)c1 1619130456 CFMARNGUSMBADZ-FDDCHVKYSA-N 458.538 2.251 30 10 JEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@H]1CCCCN1C(=O)OC(C)(C)C 1627139093 FJURNCIOWSDYON-DOTOQJQBSA-N 450.561 2.131 30 10 JEEE CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1629719057 HFFYZKKWUJTSIF-FQEVSTJZSA-N 454.596 2.486 30 10 JEEE C#C[C@H](NC(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccc(Cl)cc1F 1635191418 HHWAQTMNUNFQMB-NNFUDEMPSA-N 454.951 2.379 30 10 JEEE C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2=O)C1 1638976279 CJAHVKBZUJOYPA-HKUYNNGSSA-N 456.543 2.396 30 10 JEEE COC(=O)[C@H](O)C1CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccc(F)cc2)CC1 1652954200 FDCJEBBADQODQT-JOCHJYFZSA-N 456.518 2.348 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)N2C[C@@H]3Oc4c(F)ccc(F)c4O[C@@H]3C2)[C@H](C#N)C1 1679943964 FGTLFFIDFHFXNS-MPESAESLSA-N 450.442 2.257 30 10 JEEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@H]1CCCN(C(C)=O)C1 1689860635 FAQMJPYPHCJYKC-LADGPHEKSA-N 477.657 2.359 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2CCC(=O)N[C@@H](C)CC)c1 1689871801 FPZKGYYEIDLPPE-HKUYNNGSSA-N 452.559 2.143 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCOC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1689984780 VMAOSIAGSSKEAT-RYQLBKOJSA-N 463.991 2.293 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CCc1cccnc1)[C@@H]1CCS(=O)(=O)C1 1689992580 MGCKTQMGHQPNHI-GOSISDBHSA-N 471.533 2.412 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2Cc2cnnn2C)CC1 1690133636 OFKJEICQBVKKQL-UHFFFAOYSA-N 461.357 2.096 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CC(=O)N(C)CC)CC1 1690138214 VYJNOGANEUJRNK-FQEVSTJZSA-N 480.613 2.479 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 1690148737 RTNSCHWUXLOEPA-GOSISDBHSA-N 458.607 2.453 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(S(C)(=O)=O)CC1 1690258872 XPGCNUHTAJNERU-UHFFFAOYSA-N 481.644 2.175 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(=O)CC2CCCC2)CC1 1690313631 ZNJYRYRCEPZGOX-OAQYLSRUSA-N 493.674 2.392 30 10 JEEE C=C(Cl)Cn1c(C2CCCC2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1690343671 AIOBTXBNRMAUBK-UHFFFAOYSA-N 454.000 2.241 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCN2CCCC[C@@H]2C)CC1 1690375930 XXACPYMKROPFQD-VQTJNVASSA-N 466.652 2.032 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1690432602 HKRQTYPUWHVDTL-LJQANCHMSA-N 469.615 2.376 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c(-c2cnccn2)nnc1N1CCCN(C(C)=O)CC1)C(C)C 1690581100 KVXKXBMRNJWNEY-JOCHJYFZSA-N 452.607 2.492 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1690676106 PYJOPDRHVRZUAG-NTKDMRAZSA-N 455.559 2.160 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1690719173 HLFZWIFZFKVOPS-QGZVFWFLSA-N 478.962 2.469 30 10 JEEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(CCOC)CC2)C1 1695944871 BIDURPHESFSFQN-LJQANCHMSA-N 458.588 2.151 30 10 JEEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNC(=O)OC(C)(C)C 1696689086 FFSDHJOQDBOPKI-SFHVURJKSA-N 474.587 2.213 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCN1CCOCC1(C)C 1705501300 XSSSUPQNVLVTQT-HSZRJFAPSA-N 479.673 2.212 30 10 JEEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1705525674 QTLGFCDXZOSWRD-SFHVURJKSA-N 452.378 2.464 30 10 JEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCNC(=O)c1cccc(O)c1 1705552258 WUFYUUJJLHVILI-FQEVSTJZSA-N 498.584 2.182 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H](C(CC)CC)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1705565432 HMLYLSVZCRCZPQ-IRLDBZIGSA-N 488.658 2.037 30 10 JEEE C#CCN(c1nnc([C@@H]2COc3ccccc3O2)n1CC(C)(C)COCC)[C@@H]1CCS(=O)(=O)C1 1705565648 JDMUECAOPAQUTI-NQIIRXRSSA-N 488.610 2.480 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1705568340 LKPVNDPRRDZTRR-OAQYLSRUSA-N 470.574 2.148 30 10 JEEE C#CCN(CCOC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@]1(C)COCCO1 1705629106 XIMUMRVMMVKJQE-DEOSSOPVSA-N 477.606 2.284 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@H]2OCC[C@H]2C)CC1 1705634501 YOOWILNZDAUSFM-DYESRHJHSA-N 455.559 2.151 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccn3C)n2CCc2c(OC)cc(OC)cc2OC)CC1 1705637553 CECZXCDZDBULLM-UHFFFAOYSA-N 464.570 2.307 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCCN2CCCCCC2=O)CC1 1705648491 TWNUDHZVYGXXNV-NRFANRHFSA-N 470.618 2.278 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](c2cccs2)N(C)C)CC1 1705649486 ZNJLGJBVOFVMQA-LJQANCHMSA-N 466.615 2.009 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCCCN2CC)CC1 1705651293 QTTZMUOIYXHLHY-HXUWFJFHSA-N 497.669 2.110 30 10 JEEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCS(=O)(=O)C1 1705844239 XYXFHXYETJUJBD-SJORKVTESA-N 469.608 2.034 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C)on1 1705878322 MTUMDCDDQFPSPF-NRFANRHFSA-N 486.598 2.191 30 10 JEEE C=CCn1c(COc2cccc(C)c2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1705892147 DUQHLUYEDUGQBN-UHFFFAOYSA-N 466.586 2.292 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCO[C@H](c2cccc(OC(F)F)c2)C1 1705900839 RJVNYXHRPMRITQ-SFHVURJKSA-N 471.468 2.217 30 10 JEEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1705907697 UIQOLNQBYWZOPT-UHFFFAOYSA-N 480.613 2.431 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1705909022 KAIKOVBLFTVHMA-CZTZKLFOSA-N 474.650 2.188 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1705935814 DLRFUYRRCRPOMJ-ICSRJNTNSA-N 451.637 2.431 30 10 JEEE Cc1cc(C)n(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2Cc2cccc(OCC(=O)N(C)C)c2)n1 1707826229 BGRCZIHRDJFZCX-XMMPIXPASA-N 480.548 2.097 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1CCCCS1(=O)=O 1722282789 DXVBIYMBPHMKEW-QAPCUYQASA-N 463.991 2.287 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCCN(C)S(=O)(=O)CC 1722290050 UUKIQHAOFSCYQD-SFHVURJKSA-N 455.588 2.260 30 10 JEEE C#CCN(c1nnc(C(C)C)n1Cc1cccc(N2CCCC2=O)c1)[C@@H]1CCS(=O)(=O)C1 1722357932 BFSQSZLNUCQYSD-HXUWFJFHSA-N 455.584 2.203 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCN(CC)CCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1722365718 DYVMVXCAYXWWOY-ZWKOTPCHSA-N 491.580 2.421 30 10 JEEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1Cc1cccnc1OCC(F)(F)F 1722380705 VRPJMVWSWQTKKF-UHFFFAOYSA-N 472.427 2.463 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H]1CN(CC(C)C)CCO1 1722423711 MNRBDPAZWZGIKM-FQEVSTJZSA-N 455.559 2.117 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(N3CCN(CC)CC3)nc2)CC1 1722441179 MZVISFMWGYUWES-UHFFFAOYSA-N 492.672 2.127 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](C)CNC(=O)OC(C)(C)C)CC1 1722448089 RGGNLVVAIYAYED-UYAOXDASSA-N 488.633 2.299 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCCc3ccccc3)n2CCN2CCSCC2)CC1 1722449651 NPSATTCAMKYPRY-UHFFFAOYSA-N 480.682 2.468 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1722509306 XAIXQOMFLZBLLD-NFBKMPQASA-N 482.633 2.097 30 10 JEEE C=CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(NS(C)(=O)=O)CC1 1722616339 PQMVUFFICASYQL-GOSISDBHSA-N 498.650 2.071 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(C(N)=O)CCOCC1 1722641657 XWPPPDMXRGSOAR-QGZVFWFLSA-N 462.595 2.297 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CCN(c2nccnc2C)CC1 1722688321 BLCSUZIFKUZIGH-UHFFFAOYSA-N 497.401 2.435 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCCN(Cc2nc([C@@H](C)OC)no2)CC1 1722696284 HRXJRPCJRXUBMO-LJQANCHMSA-N 494.600 2.358 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1722700403 IJIHKRDQKOIAHY-UHFFFAOYSA-N 483.636 2.305 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccc(NC(C)=O)nc2)C1 1722711860 XQQFHHNTUJGERH-XXBNENTESA-N 456.547 2.113 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(CCC(N)=O)CC1 1722737174 WFGYFSWHQRQFOG-UYAOXDASSA-N 481.663 2.279 30 10 JEEE CC(C)(C)OC(=O)NCC(F)(F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCNC(=O)CC1 1722988946 FRXQUKGKAHKPBB-UHFFFAOYSA-N 475.500 2.303 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1CCCN1CCc2ccccc2C1 1723909064 AMHZERIUONOWFR-ROUUACIJSA-N 459.620 2.075 30 10 JEEE C#CCN(c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCNC(=O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1740618479 IINPAGZBROAGIW-OAQYLSRUSA-N 483.638 2.396 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@](C)(O)c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1740623066 NKSFCKJKHWNVAY-ZRCGQRJVSA-N 476.574 2.193 30 10 JEEE C#CCN(c1nnc(COCC)n1C[C@H](c1ccccc1Cl)N(C)C)[C@H]1CCS(=O)(=O)C1 1740626775 CMIZKWLZSVXVTL-FXAWDEMLSA-N 480.034 2.398 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1740629250 HBXFECKSXILQGZ-TYPHKJRUSA-N 476.574 2.011 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCCOC3)n2C[C@H]2CCO[C@H](C)C2)n1 1740688500 GDYPUDXACAYMOD-QHAWAJNXSA-N 456.591 2.470 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H]2CCOC[C@@H]2C)CC1 1740696630 ZENNWZLQDGMTBW-HBMCJLEFSA-N 488.633 2.014 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCCC(F)(F)F)CC1 1740703068 FJBKFSPYWJSWBP-FQEVSTJZSA-N 457.497 2.239 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCSC(C)C)CC1 1740703615 YNBQUGLVLCFONH-HSZRJFAPSA-N 463.648 2.426 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2Cc2cccc(OCCN(C)C)c2)CC1 1740704151 LMWACBPRMCBWDU-UHFFFAOYSA-N 487.608 2.295 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H](c2ccco2)N(C)C)CC1 1740707017 LQBHTYDAGPRFEK-FQEVSTJZSA-N 481.626 2.496 30 10 JEEE C=C(Cl)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CCCOCC(F)(F)F)CC1 1740800908 WRUPXVRRVRXASG-UHFFFAOYSA-N 464.920 2.358 30 10 JEEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1740880322 FDFKMRSVRPULED-MSOLQXFVSA-N 462.595 2.456 30 10 JEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(Oc2cc(C)ccn2)CC1 1740963409 JXEOTLYTLRMZCM-UHFFFAOYSA-N 464.574 2.193 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC(NC(=O)c2cc(C)oc2C)CC1 1740966988 ZIYSEFUHZMBUQE-LJQANCHMSA-N 456.547 2.040 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H]2CCCCO2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1740969630 UFUDMCGZPQHJJX-SFHLNBCPSA-N 456.543 2.493 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 1740991477 XJFNYNDWVDKDOQ-HXUWFJFHSA-N 487.626 2.144 30 10 JEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F 1741001695 BCBZNSBUNDVGTF-ZDUSSCGKSA-N 478.566 2.488 30 10 JEEE CC(C)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)NC(C)C)[C@@H](C)C1=O 1741560068 FNMHPOLTYPHVPL-SFHVURJKSA-N 451.575 2.425 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCOc1ccccc1Cl 1741924860 DXMAPAGSKWMEFK-SCLBCKFNSA-N 456.931 2.063 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CC1(O)CC1)[C@H]1CCS(=O)(=O)C1 1748806031 YZMGVDJNWRUPPB-MOPGFXCFSA-N 458.584 2.187 30 10 JEEE COc1ccc(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2CC2CCS(=O)(=O)CC2)cc1 1748869399 DSFOBDPGPLFOID-OAQYLSRUSA-N 463.535 2.132 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@]1(N(C)C)CCSC1 1748923094 SXBVNQPBQNMMJA-HSZRJFAPSA-N 451.600 2.089 30 10 JEEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(CCO)Cc1cc(Br)ccc1F 1749170207 HMUKJYJTOKNNMK-ZDUSSCGKSA-N 490.399 2.365 30 10 JEEE C=CCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1749493456 FXCHCEXVJKMCBX-NQIIRXRSSA-N 454.575 2.356 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCOC2)n1C[C@]1(O)CCS(=O)(=O)C1 1749546555 AISPQROIPHRAGJ-PGRDOPGGSA-N 464.563 2.053 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nc(C2CC2)cs1 1749575443 RFJPARKDDQJLEO-QGZVFWFLSA-N 464.617 2.172 30 10 JEEE C[C@H](C#N)CN(C)c1nnc(Cc2cn3ccccc3n2)n1Cc1cccc(OCC(N)=O)c1 1750077213 DWXRAFXSFLKXLY-QGZVFWFLSA-N 458.526 2.025 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCOc1ncccc1Cl 1750965973 FIOYAMJRPVEVHX-UHFFFAOYSA-N 495.975 2.137 30 10 JEEE C[C@@H](CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](C#N)C1)N1CCCCC1 1751109028 HFGRCKGHCQDSFH-AZUAARDMSA-N 472.615 2.342 30 10 JEEE C#CCN(c1nnc(-c2ccc(Br)cc2)n1C[C@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1760183067 LRLPYVXCNLUGRA-YJBOKZPZSA-N 480.432 2.284 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@H](c1ccco1)N(C)C)[C@H]1CCS(=O)(=O)C1 1760188992 FABQSJZJFFNJOQ-RBUKOAKNSA-N 473.624 2.453 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCCN2CCCO[C@H](C)C2)CC1 1760255174 VNJVPJOHLNNOCQ-OAQYLSRUSA-N 482.629 2.218 30 10 JEEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1760314788 ZEHOFZNHEQWMIH-XIRDDKMYSA-N 451.369 2.087 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2F)CC1 1760316231 ONBFOTTWNNNWNQ-UEXGIBASSA-N 492.621 2.335 30 10 JEEE C=C(C)COCCn1c(CCCc2ccccc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1760360102 QNORNAQZALGINU-UHFFFAOYSA-N 494.640 2.317 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cc(F)cc(OC)c2)C1 1760542068 CRGIHYHWWIXPSZ-AEFFLSMTSA-N 450.536 2.158 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@]2(N(C)C)CCC[C@H](C)C2)C1 1760542169 DRJKXQCFPLDSSW-VAWZGJIGSA-N 465.664 2.472 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[C@H](C(=O)OC)C1 1760548280 CINFYXSRRXWWGG-CVEARBPZSA-N 466.535 2.157 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ccccc2OC)CC1 1760556108 UYTPCTZCZXNZOF-LJQANCHMSA-N 475.615 2.108 30 10 JEEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1760558852 CHUMXBOBRFDSGU-GOSISDBHSA-N 457.604 2.003 30 10 JEEE C[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1)N(C)C 1761422784 HZNQZCIEXQUDFU-GHTZIAJQSA-N 499.616 2.409 30 10 JEEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C 1762610740 DUHTUKCLTAITNO-IAGOWNOFSA-N 469.594 2.466 30 10 JEEE C[C@@H]1OCC[C@]1(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(CC(=O)N(C)C)CC1 1763267794 BKOYQXNSTQUWAN-XDHUDOTRSA-N 452.559 2.051 30 10 JEEE CC[C@@H](C)N(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1763912504 HTKZXPFEXUJIHV-QFUCXCTJSA-N 467.574 2.394 30 10 JEEE CCCOc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCC(=O)NC(C)C)cc1OC 1764594385 FCPDCXRGWZODGN-GOSISDBHSA-N 456.547 2.386 30 10 JEEE COc1cc(Cl)ccc1-c1nnc(N(C)C[C@H](C)C#N)n1CCN1CCCS1(=O)=O 1769861399 HRMNNNIDPBBLMM-CQSZACIVSA-N 452.968 2.238 30 10 JEEE Nc1cccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cccc([N+](=O)[O-])c2)c1 1862558620 WALMNMAJAAUQHC-NRFANRHFSA-N 466.494 2.478 30 10 JEEE C=CCN1C(=O)C(Nc2ccc(S(=O)(=O)NC(C)=O)cc2)=C(c2ccc(OCC)cc2)C1=O 1863202995 ZRMOBFDDDCSYOJ-UHFFFAOYSA-N 469.519 2.288 30 10 JEEE CC(=O)Nc1nc(-c2cccs2)c(CC(=O)N[C@@H](CO)C(=O)Nc2ccccc2C#N)s1 1866637394 VVLFJUXKQTYCQF-HNNXBMFYSA-N 469.548 2.360 30 10 JEEE CC[C@@H](NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 1866875516 BWOCWEIUWJMLFC-MOPGFXCFSA-N 489.623 2.206 30 10 JEEE CC1(C)OB(c2cnc(NC(=O)c3cc(I)ccc3O)nc2)OC1(C)C 2158591069 YCIXVJFRNATMEB-UHFFFAOYSA-N 467.072 2.338 30 10 JEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)NCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2180983955 SGTDTXPBCQZUQK-RTBURBONSA-N 460.380 2.484 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]1C(=O)NCCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2180985869 UNWQJGNOFSRGMO-RTBURBONSA-N 460.380 2.327 30 10 JEEE CN(C(=O)OC(C)(C)C)[C@H]1COC[C@@H]1C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2185161223 UOTHILBDSCOJMM-OALUTQOASA-N 460.380 2.484 30 10 JEEE Cc1csc(CNC(=O)[C@H](CCO)NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2256673538 UGTURFLWDFWTNG-AWEZNQCLSA-N 454.398 2.248 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1COC[C@@H]1NC(=O)c1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2266987925 HZFHVKLLHKWHMS-IRXDYDNUSA-N 450.316 2.147 30 10 JEEE CO[C@@H]1CN(C(=O)c2cc(C)c(B3OC(C)(C)C(C)(C)O3)o2)C[C@H]1NC(=O)OC(C)(C)C 2267131139 XKHPYJQFLZSYQP-GDBMZVCRSA-N 450.341 2.251 30 10 JEEE Cc1c(C(=O)N(C)CC2CN(C(=O)OCc3ccccc3)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267136584 LIUKXOAWRNDXCT-UHFFFAOYSA-N 482.390 2.368 30 10 JEEE Cc1nc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)c(B2OC(C)(C)C(C)(C)O2)s1 2267478152 URBFDKGDBVLUNG-CQSZACIVSA-N 462.381 2.336 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1NC(=O)C[C@H](O)CNC(=O)OC(C)(C)C 2268646493 UASYKOZZQDFOQH-HNNXBMFYSA-N 450.341 2.209 30 10 JEEE CC(C)(C)OC(=O)NC(C)(C)[C@@H](O)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2268686751 GOJRSFQUWDLJST-AWEZNQCLSA-N 453.320 2.123 30 10 JEEE C[C@H]1CN(C(=O)OC(C)(C)C)[C@@H](C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)CO1 2268710533 ITADUXAWEVAPFG-DZGCQCFKSA-N 467.397 2.083 30 10 JEEE 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]1F 2282005044 NKXSENMZBUOOKE-GJZGRUSLSA-N 466.363 2.105 30 10 JEEE Cn1cc(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 2282040967 QBRTZUXHSYDSGY-OIISXLGYSA-N 460.384 2.237 30 10 JEEE Cn1cc(C(=O)N[C@H]2C[C@@H]3CC[C@H](C2)N3C(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2282042141 ASWLETXLOLKZRM-PHZGNYQRSA-N 460.384 2.380 30 10 JEEE CO[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)N(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cn2C)C1 2282106319 WMWRIVHUVXOUTN-DLBZAZTESA-N 463.384 2.079 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](CNC(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CO1 2282172041 RGSXNQZEYWTEPW-QAPCUYQASA-N 461.368 2.040 30 10 JEEE CC1(C)OB(c2cncc(C(=O)NCC[C@@H]3CN(Cc4ccccc4)CCO3)c2)OC1(C)C 2282181204 CKEYIGXTOWACOM-JOCHJYFZSA-N 451.376 2.402 30 10 JEEE CC(C)(C)OC(=O)N(CCO)C1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)CC1 2282205155 NXICAWVEMPBWIE-UHFFFAOYSA-N 463.384 2.148 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CNS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1)C(F)(F)F 2282420328 XOGJREAIWVYSOG-AWEZNQCLSA-N 495.329 2.115 30 10 JEEE CC1(C)OB(c2sccc2CS(=O)(=O)N2[C@H]3CC[C@H]2CN(C(=O)C(F)(F)F)C3)OC1(C)C 2282506042 MMIFBJSBFFXDQK-KBPBESRZSA-N 494.366 2.115 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1CC2(C1)CN(C(=O)OC(C)(C)C)C2 2282587625 AKGBMEMQUMNMEM-UHFFFAOYSA-N 460.384 2.157 30 10 JEEE CC(C)(C)OC(=O)NCCC1(O)CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)CC1 2282606895 TWDRUMXLCMTRRP-UHFFFAOYSA-N 481.424 2.324 30 10 JEEE CC(C)(C)OC(=O)N1CC2(CCOCCN2C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)C1 2282607872 ZOEDNVWSSMDSMC-UHFFFAOYSA-N 479.408 2.294 30 10 JEEE CC(C)[C@H](CCN(C)C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2282614781 KUMSXMIVORXSIP-HNNXBMFYSA-N 465.404 2.126 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1C[C@H](C)C[C@@H](NC(=O)C(F)(F)F)C1 2282682511 POMRZXALIVUNMQ-UKRRQHHQSA-N 457.302 2.336 30 10 JEEE Cc1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O 2285953616 XKGCTJCIKIXUBE-ROUUACIJSA-N 464.343 2.143 30 10 JEEE Cc1c(C(=O)N[C@H]2C[C@@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)nn(C)c1B1OC(C)(C)C(C)(C)O1 2359278018 OUOAXYBIIIQLMT-OWCLPIDISA-N 460.384 2.155 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H](C)CC2CN(C(=O)OC(C)(C)C)C2)n1C 2362482418 FFIXVVAHQNATHQ-AWEZNQCLSA-N 462.400 2.403 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)O[C@@H](C)C(=O)NCC(=O)Nc3ccc(F)c(F)c3F)cc2C1=O 9702397 ZBDMYZAXUXJWPW-NSHDSACASA-N 489.406 2.186 30 10 JEEE COc1ccc(O)c(/C=N/Nc2nnc(SCC(=O)Nc3ccc(C(C)=O)cc3)n2N)c1 20527490 WIZSKLUMOFLDSD-LSHDLFTRSA-N 455.500 2.086 30 10 JEEE COc1cc(/C=N/Nc2nnc(SCC(=O)OC3CCCC3)n2N)cc(OC)c1OC 20919938 DJADCFFPXBDKTE-UFFVCSGVSA-N 450.521 2.042 30 10 JEEE CS(=O)(=O)[C@H]1CCN(Cc2cn(Cc3ccc(F)cc3F)c3cnc(C(=O)NO)cc23)C1 35833782 OMPJMEMBOAXFFJ-INIZCTEOSA-N 464.494 2.101 30 10 JEEE COc1ccc([C@@H]2c3c(nc(NCc4ccc5c(c4)OCCO5)[nH]c3=O)NC(=O)[C@@H]2C#N)cc1OC 72472446 WNUCTWPZYAFNSL-QRWLVFNGSA-N 489.488 2.394 30 10 JEEE Cc1nc(C)c(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccc([N+](=O)[O-])c2)s1 103221876 DFSFLWGJCXCAOL-VZCCSQPZSA-N 472.523 2.422 30 10 JEEE CCOC(=O)c1[nH]c(C)c(/C(O)=C2/C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccncc2)c1C 103227692 RANGFRBUXIXFLL-MBDQKHHZSA-N 496.564 2.347 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccccc3C(=O)N3CCC(C(N)=O)CC3)cc2C1=O 515828110 RYDLMLIYYFQHRD-UHFFFAOYSA-N 460.490 2.058 30 10 JEEE C[C@H](NC(=O)C1CCCC1)C(=O)[C@@H](C#N)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 916948310 FOAYBKALKPHIIU-OXJNMPFZSA-N 474.583 2.203 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)OCc3nnnn3-c3ccc(OC(F)F)cc3)cc2C1=O 918812737 XKLRZRKQZZXTKG-UHFFFAOYSA-N 455.377 2.403 30 10 JEEE C=CCn1nc(C)c(C=NNc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2N)c1C 1084257371 WTDOJTKJVIECEN-UHFFFAOYSA-N 470.519 2.076 30 10 JEEE C=CCn1c(SCC(=O)N2CCC[C@H](O)[C@@H]2C(=O)OC)nnc1-c1ccc(Cl)cc1 1138246421 QOAFGQUXZGRHEU-DOTOQJQBSA-N 450.948 2.402 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@@H](C)[C@H](CNC(=O)OC(C)(C)C)C2)s1 1157962246 ZSSDBJARCJCLBJ-HUUCEWRRSA-N 457.618 2.374 30 10 JEEE COC(=O)COc1ccc(CN(C)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 1226110556 FUWONUBUPJJZPB-NRFANRHFSA-N 450.495 2.447 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC[C@@H](C(F)F)N1CCOCC1 1286285889 RGEFGFYQZVJQSP-WMZOPIPTSA-N 495.600 2.052 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccnc(OC(F)F)c2)c1 1286309989 QWWLBKBTPZUCAY-SFHVURJKSA-N 495.490 2.330 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC)n2Cc2ccc(N3CCOCC3)nc2)c1 1286310591 DSQZDXSPTFFNRL-UHFFFAOYSA-N 459.554 2.177 30 10 JEEE C#CCN(c1nnc(-c2ccccc2)n1C[C@@H](c1ccco1)N(C)C)[C@H]1CCS(=O)(=O)C1 1286387978 JMOQMLKBHTYCHC-PMACEKPBSA-N 453.568 2.468 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1CCCOc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1286388740 BDYNPNBYTUODRA-IBGZPJMESA-N 466.567 2.139 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(C(N)=O)CCOCC1 1286428500 CZYZIYOATXEDNP-HXUWFJFHSA-N 498.628 2.138 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C 1286446416 FTTGPSBAPCNJKU-IRXDYDNUSA-N 453.609 2.143 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2CCS(C)(=O)=O)CC1 1286475311 WOXHCVOMIZONGT-UHFFFAOYSA-N 486.823 2.161 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H]2CCCOC2)CC1 1286488954 ZMCCDBNFIJMWPD-MRXNPFEDSA-N 489.418 2.439 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)cc2OC)n1CCOCCS(C)(=O)=O 1286520384 IHTINQDNUXNMDJ-JOCHJYFZSA-N 462.572 2.016 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CCOCC)[C@@H](CC)C1 1286546713 LGCCJLLANICJCD-FKBYEOEOSA-N 474.650 2.432 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC(n2cc(Cl)cn2)CC1 1286780246 CWGLYGDDGDSZSH-UHFFFAOYSA-N 462.986 2.190 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccc3c(c2)C(=O)NCC3)C1 1286798658 MXMUOMFPKUAFRZ-HXUWFJFHSA-N 466.586 2.312 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H](C2CC2)C1 1286815296 QTTJREKBSCFFTM-SFHVURJKSA-N 464.613 2.186 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1286815930 CPVHBUOLHCTLTH-MRXNPFEDSA-N 462.576 2.044 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 1286817108 PRYQZYQVCLUPPM-KRWDZBQOSA-N 476.603 2.387 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1286817200 QXHHAANCXZBHNH-GOSISDBHSA-N 461.588 2.050 30 10 JEEE C=CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1286831354 ZJTALKKKSWIXLO-CVEARBPZSA-N 490.655 2.369 30 10 JEEE C#CCN(c1nnc(COc2ccc(Br)cc2)n1CC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1300504400 NEFVQQMCZCUJGR-INIZCTEOSA-N 497.415 2.017 30 10 JEEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2CC2(S(C)(=O)=O)CCCC2)CC1 1300705825 DAGBZHKWSBBDMM-UHFFFAOYSA-N 471.627 2.012 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CC(F)(F)C2(OC)CCOCC2)CC1 1300719511 DPQBRNUTKKGCBK-UHFFFAOYSA-N 488.539 2.137 30 10 JEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(c2cccc(F)c2F)CC1 1300767971 IKRFXUVYJSTCCG-UHFFFAOYSA-N 460.554 2.372 30 10 JEEE C=CCC(C)(C)Cn1c(Cc2ccncc2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1301154366 QRTVYPHGDVMCNF-NRFANRHFSA-N 488.658 2.497 30 10 JEEE C=CCCCCCN(C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@]1(O)CCS(=O)(=O)C1 1301168923 WRVNFCKHNWNSLJ-JOCHJYFZSA-N 462.572 2.406 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](C)N(Cc2ccccc2)CC1 1301478438 KSGDCOPCYFVDLZ-FQEVSTJZSA-N 488.596 2.328 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@](F)(C#N)C1 1301589805 XNXSXEXFMOQDDE-QFIPXVFZSA-N 496.609 2.435 30 10 JEEE COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1Br 1301808334 CFIBEIBNLVEWFD-INIZCTEOSA-N 482.404 2.357 30 10 JEEE CC(C)NC(=O)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCO[C@H](C#N)C1 1303453007 AYWPHQHOAUHWEF-CQSZACIVSA-N 453.330 2.417 30 10 JEEE CCN1CCN([C@@H](C)Cn2c(C3CCN(c4ncccn4)CC3)nnc2N(C)[C@H](C)CC#N)CC1 1313926579 DSJJQXSFRBNJFB-RTWAWAEBSA-N 480.665 2.216 30 10 JEEE CCN1CCN(C[C@H](C)Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCO[C@@H](C#N)C2)CC1 1313951002 CFDFXMOUQSMYDT-FNAHDJPLSA-N 473.666 2.199 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@](C)(O)CCOC 1358885200 FNJZSRMCHQJNFS-OSPHWJPCSA-N 452.559 2.481 30 10 JEEE C#CCCCCn1c(CCc2ccc(OC)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1358915939 USLBLKUAVCYPIC-UHFFFAOYSA-N 459.616 2.347 30 10 JEEE C#CCN(c1nnc(C(C)C)n1Cc1cc(OC)c(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1358955001 CABDZSPKCNFPNU-QGZVFWFLSA-N 462.572 2.102 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H](c1ccsc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1358962155 LEZNEYAZOAWZKF-YZGWKJHDSA-N 477.656 2.163 30 10 JEEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1CCC=C(C)C)[C@@H]1CCS(=O)(=O)C1 1358965521 WQVPMFZTRRPOAL-HXUWFJFHSA-N 452.584 2.500 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CC(O)(CC)CC)[C@@H]1CCS(=O)(=O)C1 1358967232 GIVJMUCQFXYZDP-GOSISDBHSA-N 464.563 2.174 30 10 JEEE C#CCN1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCN(C(C)C)C(C)C)CC1 1359034370 NWBNCVMGDWQQMW-UHFFFAOYSA-N 476.629 2.066 30 10 JEEE C=C(Br)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1359084198 AAXPCWKENGESJH-YJBOKZPZSA-N 478.347 2.041 30 10 JEEE C=CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1359209284 HXRZEFAQTGYGQU-OAHLLOKOSA-N 462.352 2.475 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCO[C@H](COC)C1 1359328881 QJZCYAFCMIBRES-KRWDZBQOSA-N 499.431 2.468 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](c2nc(C)no2)C1 1359332191 RHLPFENZDZDHPO-DLBZAZTESA-N 450.565 2.196 30 10 JEEE C=C(C)CN1CCC(NC(=O)N2C[C@H](C(=O)OC)C3(C2)CN(C(=O)OC(C)(C)C)C3)CC1 1477803777 WVODRHLPMFMOQD-GOSISDBHSA-N 450.580 2.078 30 10 JEEE N#CCC1CCN(c2nnc(CN3CCCC3=O)n2CCNc2nccc(C(F)(F)F)n2)CC1 1505325315 GFIXLQMTZBFSED-UHFFFAOYSA-N 477.495 2.451 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CC(=O)NC2CCCCC2)c1 1507549638 JNQISSLTCJXJFF-UHFFFAOYSA-N 474.569 2.184 30 10 JEEE C#CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCc2nn(C)c(=O)cc2C1 1507592436 RXCDINBPENKWPD-SFHVURJKSA-N 481.601 2.462 30 10 JEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CCCNC(=O)C(C)C)[C@H]1CCS(=O)(=O)C1 1507624926 FLSCUWZSWUGKKZ-IBGZPJMESA-N 478.018 2.388 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1Cc1cccn(CC)c1=O)[C@H]1CCS(=O)(=O)C1 1507626065 CNTUEHMCTDUNQA-FQEVSTJZSA-N 485.997 2.455 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@H](C)c1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1507634332 JUPSVSRFFUSLGR-OXJNMPFZSA-N 468.583 2.299 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1cccc(CS(C)(=O)=O)c1)[C@@H]1CCS(=O)(=O)C1 1507634830 QAFCAGJTINPVOA-HXUWFJFHSA-N 492.667 2.086 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[C@@H]2CCCCO2)CC1 1507719639 DJQHBKFZBOSFPW-FQEVSTJZSA-N 457.600 2.063 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccccc3F)n2CC2(NC(=O)OC(C)(C)C)COC2)CC1 1507722955 PKCHKJSTMNSIEL-UHFFFAOYSA-N 470.549 2.133 30 10 JEEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CCC(NS(=O)(=O)CC)CC1 1507754501 WKOIQANTXUJDPF-UHFFFAOYSA-N 483.610 2.422 30 10 JEEE C=C(C)CN(CC)c1nnc(COc2ccc(Cl)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1507824374 ZNHCXOLFWZNJSA-HXUWFJFHSA-N 454.980 2.463 30 10 JEEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CC)CCS(C)(=O)=O 1507830538 GIQAAFCPRRBQCV-INIZCTEOSA-N 457.597 2.034 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](O)(c2cccc(F)c2)C1 1507844323 HYCCWAXODIJEPP-HTAPYJJXSA-N 464.563 2.010 30 10 JEEE C=CC[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](CNC(C)=O)C1)c1ccccc1 1507920540 MLUVQLQEDVPQHH-LEWJYISDSA-N 454.575 2.118 30 10 JEEE C=CCCCCn1c(N2CCC[C@H](N3CCCS3(=O)=O)C2)nnc1[C@@]1(OCC)CCOC1 1507937430 QAOBFAGYYVJJTO-SIKLNZKXSA-N 467.636 2.291 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@H](CN2CCOCC2)C1 1508072075 DWOYNBRHJZRRBM-FGZHOGPDSA-N 482.629 2.496 30 10 JEEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCS[C@H](C(C)C)C1 1508091391 UGUHDEJWYUKLFX-IBGZPJMESA-N 470.647 2.332 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN(c2cccc(OCC)n2)CC1 1508138275 ZRMAASKYCAVQEJ-UHFFFAOYSA-N 483.598 2.061 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCCN(CC(F)(F)F)CC1 1508144722 SKFKKPFGTDKWIX-UHFFFAOYSA-N 492.593 2.309 30 10 JEEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1508148649 WCZIDCJEMZPTCL-QGZVFWFLSA-N 455.588 2.436 30 10 JEEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2nccnc2C)CC1 1508169726 LSOMAXAEKACNBT-OALUTQOASA-N 459.620 2.346 30 10 JEEE CC(C)CC(=O)Nc1cccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@H](C#N)C2)c1 1509095405 CGWKZWKOTRQDPH-HXUWFJFHSA-N 465.558 2.276 30 10 JEEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2nccc(C(F)F)n2)C1 1510289127 BVQQQVGRIZZBNJ-ORAYPTAESA-N 451.503 2.086 30 10 JEEE CCCNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1515056413 DLNPWOFPEQWNHN-UHFFFAOYSA-N 478.601 2.461 30 10 JEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](OCCC)CC1 1539072326 PKJLXXXHWRUYPW-PMACEKPBSA-N 467.636 2.200 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1Cc1oc(CC)nc1C)[C@H]1CCS(=O)(=O)C1 1539204702 CATZMNAEDAUECD-SFHVURJKSA-N 469.567 2.488 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccccc2COCC)CC1 1539462598 JNIJTDDJHKOVRL-GOTSBHOMSA-N 453.587 2.342 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@@H]2CC=CCO2)CC1 1539484681 ZEWFTVFTYSMGSX-QHCPKHFHSA-N 463.582 2.383 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(F)(F)CNC(=O)OC(C)(C)C 1539539337 STMIDUWKTIPCAI-AUUYWEPGSA-N 490.577 2.040 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1539595804 GDSSYRCLQDXCHL-HOTGVXAUSA-N 474.425 2.433 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCC(F)(F)F)CC1CC1 1539705438 TVDUIKUFQGNLAO-HNNXBMFYSA-N 451.515 2.356 30 10 JEEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC(c2ccc(OC)cc2)CC1 1540873663 FWPUFOLVNZQYJO-UHFFFAOYSA-N 452.559 2.095 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1540879780 OEVPZJNPEIZSTD-KOSHJBKYSA-N 455.559 2.414 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1540907111 LQYRQLNEIMFNDK-XMMPIXPASA-N 474.627 2.438 30 10 JEEE C=CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1540913817 UPKVRSBPUFYVLJ-UHFFFAOYSA-N 496.659 2.175 30 10 JEEE N#C[C@@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H]2CCCCS2(=O)=O)CCO1 1555994406 HWXYVABZWKLUKW-QZTJIDSGSA-N 465.963 2.207 30 10 JEEE C#CCN(c1nnc(CC2CCCC2)n1CC1(COC)CCOCC1)[C@H]1CCS(=O)(=O)C1 1588064665 MQHNJELYAYNFNP-FQEVSTJZSA-N 464.632 2.081 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@](C)(O)C2CC2)CC1 1588954159 BCLHBFMIXBMRAA-SANMLTNESA-N 465.598 2.199 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCN1CCc2ccccc21 1589150855 MLENBEKBPNWKST-WZONZLPQSA-N 456.616 2.333 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C)(COC)CC1 1589493048 FNJXLQHIIGQFJE-SQNIBIBYSA-N 455.625 2.122 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCC(NC(=O)COC)CC1 1595497343 YLWNIBVAZCOLJI-UHFFFAOYSA-N 486.642 2.309 30 10 JEEE C#CCN1CCC[C@H](NC(=O)c2nnn([C@@H]3CCN(C(=O)OC(C)(C)C)C3)c2C(F)F)C1 1595790061 IKZLRCCOYRHOPU-LSDHHAIUSA-N 452.506 2.225 30 10 JEEE CCN1CCN([C@@H]2CCN(c3nnc(COc4ccc(C#N)cc4)n3C[C@@](C)(O)C(C)C)C2)CC1 1615875142 CSXMKSXVEORKTM-ATIYNZHBSA-N 481.645 2.352 30 10 JEEE CCOc1ncccc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(NC(=O)COC)CC1 1616499939 CCQZXYLWTFQGND-UHFFFAOYSA-N 475.553 2.390 30 10 JEEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N2C[C@H](O)C[C@H]2CO)ccc1Cl 1617105698 RIGVAJYHIYAKHG-ZWKOTPCHSA-N 450.944 2.289 30 10 JEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)cc1 1626677828 ZLIMWFVZROZLDH-OAQYLSRUSA-N 456.955 2.274 30 10 JEEE N#Cc1ccncc1N1CCN(C(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)CC1 1641698188 GLEOCHAQDYBCFC-UHFFFAOYSA-N 454.537 2.173 30 10 JEEE CC[C@](NCC(=O)N1CCN(c2oc(C)nc2C#N)CC1)(C(=O)OC)c1ccc(Cl)cc1 1643059130 BWHJFHCLYDFMGX-JOCHJYFZSA-N 459.934 2.225 30 10 JEEE CC(=O)N1CCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CC12CCCCC2 1645175470 ABADYXIVLQEYJJ-HSZRJFAPSA-N 455.578 2.402 30 10 JEEE C[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 1654050886 AXCQPBDLBIDPCD-ZYSHUDEJSA-N 469.483 2.066 30 10 JEEE COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCCN1S(=O)(=O)c1ccc(C#N)c(Cl)c1 1655257549 ICGIVMZSNORMSB-INIZCTEOSA-N 457.936 2.385 30 10 JEEE N#Cc1ccc(CN2CC[C@@H](NC(=O)NCc3ccnc(N4CCSCC4)c3)C2=O)cc1 1680778030 AICCWYVBIFGYHY-HXUWFJFHSA-N 450.568 2.107 30 10 JEEE C#CCCCCn1c(Cc2ccccn2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1689897898 LLXZXSZIEBVPNT-XMMPIXPASA-N 457.582 2.416 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1Cc1ccnc(OC(F)F)c1)[C@H]1CCS(=O)(=O)C1 1689983061 ZWOWMBQXJCRGLI-IBGZPJMESA-N 498.515 2.488 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1ccc(C)cc1OC)[C@H]1CCS(=O)(=O)C1 1689994177 SNVQYEFXNFDJOX-NRFANRHFSA-N 465.579 2.256 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H]1OCC[C@H]1C 1690101016 LAXAVPJIMIVNBP-YLJYHZDGSA-N 450.543 2.186 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1ccc(C#N)o1 1690101268 VITJWDSHDLWVQF-UHFFFAOYSA-N 457.494 2.274 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2C[C@@]2(O)CCSC2)CC1 1690148642 NTPFHHHBLQCRBT-DEOSSOPVSA-N 453.612 2.011 30 10 JEEE C=C(Br)Cn1c(Cc2cccnc2)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1690230366 AGINMCJFZVPXEX-QGZVFWFLSA-N 484.420 2.203 30 10 JEEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H](c1cccs1)N1CCOCC1 1690287672 OQUFQNWUOKEMSJ-ZWKOTPCHSA-N 465.645 2.328 30 10 JEEE C=C(Cl)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1690352432 CYUSGMLHIPMARI-UHFFFAOYSA-N 481.384 2.436 30 10 JEEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](C)N1CCN(CC)CC1 1690527921 UTASNXWVSPNODR-PMACEKPBSA-N 477.654 2.235 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCOC2)n1CC1(C(N)=O)CCOCC1 1690560044 OFVVVDMSKMFBOH-HXUWFJFHSA-N 450.543 2.128 30 10 JEEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1690644433 KNMOTNLPCJAXRO-RBUKOAKNSA-N 462.595 2.074 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1690667196 UQNRYHGVGSESLP-UHFFFAOYSA-N 481.022 2.199 30 10 JEEE C=CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1690736823 PXOKWAVZDCYNTL-UHFFFAOYSA-N 467.599 2.310 30 10 JEEE COc1ccccc1SCc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1CCCN1CCCO 1697627678 CZNOFFUUYNZDTK-OALUTQOASA-N 472.615 2.155 30 10 JEEE C#CCN(CC)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CCN1CCCS1(=O)=O 1705609599 KDLMHNRMUJOQGC-UHFFFAOYSA-N 461.588 2.236 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2cccnc2OCC(F)(F)F)CC1 1705631902 DGKRQTPPOXVTPW-UHFFFAOYSA-N 493.534 2.336 30 10 JEEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)C1CCCCC1 1705662038 OFNNUDONJYINJC-HKUYNNGSSA-N 469.677 2.382 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(F)ccc2Br)n1C[C@@]1(O)CCS(=O)(=O)C1 1705669411 LTXQFOGJVNIJPL-UXHICEINSA-N 497.390 2.388 30 10 JEEE C=CC1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCNS(=O)(=O)c2ccccc2)CC1 1705777087 XBCPWVUUBDOQEQ-QHCPKHFHSA-N 475.615 2.311 30 10 JEEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(F)(F)CNC(=O)OC(C)(C)C)C1CC1 1705855226 YKPLVDVSPBOYLE-AWEZNQCLSA-N 475.562 2.495 30 10 JEEE Cc1ccccc1OCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1 1707684254 GUALMQZJGBXNQY-OAQYLSRUSA-N 488.614 2.129 30 10 JEEE CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN(C)C(C)C)CC1 1708632903 FSSQPMWOEWKKOT-FQEVSTJZSA-N 466.634 2.194 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCC(=O)N2)n1CCc1nnc(C)s1 1712442724 HCCVTGQBNQRJSM-GOSISDBHSA-N 466.571 2.157 30 10 JEEE CS(=O)(=O)[C@H]1CCCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCO2)C1 1712688712 BJYLCEQHDAFCHG-UXHICEINSA-N 459.572 2.311 30 10 JEEE C#CCCCCn1c(-c2ccccc2F)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1722313290 SNSIPBWNXBERSM-UHFFFAOYSA-N 485.589 2.441 30 10 JEEE C#CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCN(C)S(=O)(=O)CC 1722350963 FYFMGQSDFKCJNS-GOSISDBHSA-N 482.651 2.134 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCc1cccc(OCC)c1)[C@H]1CCS(=O)(=O)C1 1722368171 PGTAWUUZBIBRDL-SFTDATJTSA-N 472.611 2.440 30 10 JEEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1C[C@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1722403382 ZIQVWUKJEYJVLL-FHWLQOOXSA-N 495.584 2.409 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCCCO2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1722428082 BTMAKKCPVQFKGJ-JOCHJYFZSA-N 467.618 2.191 30 10 JEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc(C(=O)NC2CC2)cc1 1722453614 ZXVQJTWEURWHAT-UHFFFAOYSA-N 466.611 2.409 30 10 JEEE C#CCSCCn1c(-c2ccccc2Br)nnc1N1CCN2C(=O)NC[C@H]2C1 1722457485 ZTEXCLCWARFJNF-AWEZNQCLSA-N 461.389 2.288 30 10 JEEE C=C(Br)Cn1c(Cc2cccnc2)nnc1N1CCN(c2nccc(OC)n2)CC1 1722488340 GNSWVCCKJVTKSB-UHFFFAOYSA-N 471.363 2.298 30 10 JEEE C=C(C)COCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@@H](CNC(C)=O)C1 1722535024 WLZFQTSQICWMQN-IBGZPJMESA-N 479.585 2.137 30 10 JEEE C=CC[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)OC)CC1)c1ccccc1 1722594215 HSCGAMKSEVDCLW-HKUYNNGSSA-N 476.603 2.137 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](c2cccc(Br)c2)C1 1722692596 SJPJENVNNRUPDZ-KRWDZBQOSA-N 491.390 2.059 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C2CCCC2)CC1 1722694623 CAMZXAHKZQIVAG-UHFFFAOYSA-N 454.575 2.329 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(C(=O)c2cccc(Cl)c2)CC1 1722700537 LRHOXMAFGFAQCK-UHFFFAOYSA-N 479.972 2.182 30 10 JEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 1722739847 XUHHKEATKZCSRQ-SFHVURJKSA-N 493.630 2.201 30 10 JEEE CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1729722881 CTLRWMQOLAVZFY-UHFFFAOYSA-N 483.573 2.170 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCO[C@@H](C)C2)c1 1740564711 VNJPPOJDWLLLKB-YSIASYRMSA-N 485.610 2.052 30 10 JEEE C#CCCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1740570092 ODAHBNUVLWHNFR-UHFFFAOYSA-N 488.383 2.391 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1740617100 MAFLCCKWQXDMMV-AEFFLSMTSA-N 464.563 2.345 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCCc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1740629759 YQCMGQCDATUDJO-NNWRFLSQSA-N 490.601 2.401 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)Cc1ccc(OC)c(OC)c1 1740637780 HWFZVADPHNDDRR-AZUAARDMSA-N 470.595 2.149 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1740756304 OVAYCBPBNICKQL-RTWAWAEBSA-N 466.586 2.100 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccnc2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1740757110 MZWHRTSHDYAFNW-GGAORHGYSA-N 467.618 2.312 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1740774053 KHNFVINSMHYUPH-YLJYHZDGSA-N 461.588 2.475 30 10 JEEE C=C(Cn1c(C(=O)NC(CC)CC)nnc1N(C)CC(=O)N1CCOCC1)c1ccccc1 1740796917 HXFUCPFRUMMCMV-UHFFFAOYSA-N 454.575 2.205 30 10 JEEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCCOCC(F)(F)F)CC1 1740810322 BHFICYBCYVDFOG-HNNXBMFYSA-N 485.960 2.024 30 10 JEEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 1740862267 OLIABVVCXHGWJH-FQEVSTJZSA-N 469.565 2.485 30 10 JEEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)NCc2ccc(C)cc2)CC1 1740947203 RZWCRYZVMKDAKV-HXUWFJFHSA-N 457.600 2.207 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1740955971 JTYAJKRLEMSGIK-UHFFFAOYSA-N 481.645 2.251 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCN(c2ccccc2C#N)CC1 1740993933 GFKSIBSWCQTUMQ-UHFFFAOYSA-N 497.650 2.433 30 10 JEEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1741003484 VWAUSPYRQIDZLH-UXHICEINSA-N 456.616 2.050 30 10 JEEE CNC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCCCC2)C1 1748189089 DMEVDIPGAVCDEQ-LJQANCHMSA-N 452.559 2.386 30 10 JEEE COc1ccc(-c2nnc(N3CCC(C#N)CC3)n2CCS(=O)(=O)N2CCSCC2)cc1 1748621079 GAOXCELZPTZDIE-UHFFFAOYSA-N 476.628 2.072 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCSCc1ccc(C)cc1 1748672514 UTNATHUQNKSHHE-QUCCMNQESA-N 477.656 2.311 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCCN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1748808290 JJIZAHNQWMSWJD-JOCHJYFZSA-N 466.611 2.319 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H]1CCCN(C(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1748812649 YPHDMEHKQHZGBO-WOJBJXKFSA-N 456.616 2.087 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@H]1CCSC1)[C@H]1CCS(=O)(=O)C1 1748823929 FUCCFPJZYALMNN-AEFFLSMTSA-N 464.588 2.376 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H](c1ccc(F)cc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1748824754 SPPZUCTUQALROD-NJDAHSKKSA-N 475.590 2.198 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCO[C@@H](C)C1 1748831585 QPVIQAWLGHPYCI-RBUKOAKNSA-N 455.584 2.083 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC[S@](=O)C(C)(C)C 1748882450 SIGTYLGCHCPOBD-YTTGMZPUSA-N 489.667 2.206 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCOc1ccc(OC)cc1 1748892021 HYYQVHJPFKZJLT-IBGZPJMESA-N 456.568 2.121 30 10 JEEE C#CCSCCn1c(CCc2ccccc2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1749043588 JKCRETZPFYNWMW-URXFXBBRSA-N 480.682 2.419 30 10 JEEE C=C(C)CN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCN1CCN(C(C)=O)CC1 1749142260 UZMNUGFSBKYSJN-UHFFFAOYSA-N 488.036 2.428 30 10 JEEE C=CCCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1749400956 PMGFLNWKNZFFKQ-UHFFFAOYSA-N 469.981 2.214 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN2C(=O)CC[C@@H]2C1 1749651415 VEJFELQXTNJKLQ-RBUKOAKNSA-N 452.559 2.148 30 10 JEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN([C@H](C)c2ccsc2)CC1 1749678035 SSWZMJFQTJHLAP-LJQANCHMSA-N 468.631 2.387 30 10 JEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCN2[C@@H](C)CC[C@@H]2C)CC1 1749755339 FXSPLOYDSRRKBQ-PCCBWWKXSA-N 496.747 2.094 30 10 JEEE N#Cc1ccc(-c2nnc(N3CCN(CC(F)(F)F)CC3)n2C[C@@H]2CCCN2CCCO)cc1 1750382096 BPZSYQJJNPTUND-FQEVSTJZSA-N 477.535 2.348 30 10 JEEE CC(C)CN1C[C@@H]2CN(c3nnc(COc4ccc(C#N)cc4)n3C[C@H](C)N(C)C)CCN2C1=O 1750829452 AWHIKBFZRINHBL-FPOVZHCZSA-N 480.617 2.261 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OCCC)c(OC)c2)n1CCC(=O)N1CCOCC1 1760107012 JKSLQIPSYNRFHQ-SFHVURJKSA-N 455.559 2.449 30 10 JEEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccnc(OCc2ccccc2)c1 1760173707 AXNHEOLBRZPHQJ-FQEVSTJZSA-N 451.552 2.272 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1CC1(CCOCC)CCC1)[C@H]1CCS(=O)(=O)C1 1760188173 MYPNQJJHCMGHBT-OALUTQOASA-N 450.605 2.006 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@@](C)(OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1760189004 FHAFTEZJRDXRAF-WMZHIEFXSA-N 460.575 2.450 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCOc2ccccc2Cl)CC1 1760264923 HXFIQPIWZIMBAG-UHFFFAOYSA-N 484.988 2.212 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2OCC[C@H]2C)CC1 1760271354 VOYJILOUQWPAQQ-XMSQKQJNSA-N 462.554 2.120 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)CC1 1760271783 LTSTWLQMOLGAJQ-OALUTQOASA-N 456.635 2.084 30 10 JEEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(CCO)Cc1ccc(Br)s1 1760341642 NGNNYQUAHFPCEX-LBPRGKRZSA-N 478.438 2.287 30 10 JEEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1760513614 PFCNOPZWEGVMEW-UHFFFAOYSA-N 452.540 2.124 30 10 JEEE C=CCn1c([C@H]2CCCO2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)C2(CCS(=O)(=O)CC2)C1 1760513878 IGRAHERKQLTAMO-IAGOWNOFSA-N 481.619 2.224 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1760517298 ITGYKAQHPIRCKC-GOEBONIOSA-N 463.629 2.057 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3OC)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1760540792 OUOFRJGZGXAXRV-IJCFDHGGSA-N 464.526 2.261 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1760554543 GXBMUDAYILKHLR-MOPGFXCFSA-N 478.018 2.371 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1 1760556064 UAXXYMIOGJEJEF-JTSKRJEESA-N 464.563 2.010 30 10 JEEE C[C@@H]1CCCN(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)C1 1762920473 HUYRWWTVYSXXBM-KNQAVFIVSA-N 486.642 2.474 30 10 JEEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1ccc2c(c1)OCCO2 1862417994 CNJMHYRBRRWGMO-FQEVSTJZSA-N 458.417 2.450 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(O)c(O)c2)cc1 1862688928 DWJIEUDBOCDZCU-JOCHJYFZSA-N 468.506 2.407 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)N[C@@H](C)CC)cn1CCCN1CCOCC1 1870528482 OFUJDJJFOCFDDV-NRFANRHFSA-N 460.619 2.038 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)Nc2ccc(F)cc2)cn1CCOCCO 1870736136 ONNQIIFYYAGVKC-UHFFFAOYSA-N 459.518 2.188 30 10 JEEE N#Cc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)CC1 1873868509 GXRMOTGCWRZQAD-UHFFFAOYSA-N 466.519 2.251 30 10 JEEE CCOc1ccccc1OCc1nnc(SCC(N)=O)n1/N=C/c1ccc(O)c(OC)c1 1874241030 LSTTYYPKHOBBFB-FOKLQQMPSA-N 457.512 2.430 30 10 JEEE CC(C)N1C(=O)CS[C@@H](C(=O)N2CCN(c3ncccn3)CC2)[C@@H]1c1ccc(C#N)cc1 1889496774 ZWBZNUVWSDLMQE-LEWJYISDSA-N 450.568 2.091 30 10 JEEE COCCn1c(C(=O)NCC#CCN2CCc3ccccc3C2)cc2c(=O)n3ccccc3nc21 1890275428 GPRAFXMWDNEJFP-UHFFFAOYSA-N 469.545 2.087 30 10 JEEE CN(CC(=O)N1CCN(c2ccc(C#N)cc2)CC1)c1nc2c(S(C)(=O)=O)cccc2s1 1892381951 WMTSCZHXJKHOLL-UHFFFAOYSA-N 469.592 2.356 30 10 JEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C2CCN(C(=O)C=Cc3ccccc3)CC2)CC1 2042442844 IWAHRPAXNFATGC-UHFFFAOYSA-N 492.601 2.343 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N(CCOC)C2CN(C(=O)OC(C)(C)C)C2)C1 2255193391 PKTGWOXLOMNNEY-UHFFFAOYSA-N 451.564 2.387 30 10 JEEE Cc1ccc(S(=O)(=O)N[C@H]2C[C@H]2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2255930871 BPBGTMWEUZOFSZ-CVEARBPZSA-N 452.382 2.238 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H]1C(=O)NCc1sccc1B1OC(C)(C)C(C)(C)O1 2256622983 OFKDSDQPERYKIX-DZGCQCFKSA-N 452.382 2.034 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C=CC[C@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2256627675 XBYWFQGTNQKWKV-STQMWFEESA-N 450.370 2.057 30 10 JEEE CC(C)(C)OC(=O)NC1(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)s2)CC(CO)C1 2256671656 WAOLATHWJQSHAO-UHFFFAOYSA-N 453.370 2.047 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@@H](C)[C@H](NC(=O)C(F)(F)F)C1 2267132916 WDCWZLIQRYLNIS-ZYHUDNBSSA-N 461.315 2.280 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)CCCO1 2267286618 PZHHJBIHOKGGOH-OAHLLOKOSA-N 450.341 2.335 30 10 JEEE Cc1c(B2OC(C)(C)C(C)(C)O2)csc1C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O 2267577861 VXQCJBNLWOUDIC-HOCLYGCPSA-N 466.409 2.313 30 10 JEEE Cc1c(B2OC(C)(C)C(C)(C)O2)csc1C(=O)NC[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 2267583958 YZKKRLGQTRPAMD-QFIPXVFZSA-N 466.409 2.457 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cccc(Cl)c2B2OC(C)(C)C(C)(C)O2)C1 2267915036 RYWONUHPJCJXGN-HZPDHXFCSA-N 466.771 2.349 30 10 JEEE CN(C(=O)OC(C)(C)C)C1(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)COC1 2268722298 YFCJXIVZDOGXLE-UHFFFAOYSA-N 451.304 2.094 30 10 JEEE CN(CCNC(=O)OC(C)(C)C)CC(=O)N(C)Cc1cc(B2OC(C)(C)C(C)(C)O2)cs1 2268724551 MQZABCUQEFKIQH-UHFFFAOYSA-N 467.441 2.462 30 10 JEEE C[C@H](O)CN(CCNC(=O)c1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1)C(=O)OC(C)(C)C 2281782153 SCISQBBFUPBWIS-HNNXBMFYSA-N 466.359 2.473 30 10 JEEE Cc1nn(C)c(C(=O)N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2281983847 ZNODWDOTQAHPIP-INIZCTEOSA-N 462.400 2.405 30 10 JEEE Cc1c(C(=O)N2C[C@H]3CCN(Cc4ccccc4)[C@H]3C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281991693 DOQAVKFVURTCAJ-UXHICEINSA-N 450.392 2.374 30 10 JEEE Cn1cc(C(=O)N2C[C@H](CNC(=O)OC(C)(C)C)C(C)(C)C2)nc1B1OC(C)(C)C(C)(C)O1 2282039235 RUMIZWWXFXSIGP-HNNXBMFYSA-N 462.400 2.342 30 10 JEEE Cn1cc(C(=O)N2C[C@H]3CC[C@@](NC(=O)OC(C)(C)C)(C3)C2)nc1B1OC(C)(C)C(C)(C)O1 2282041182 SVVGLTMWQCNXKV-NPMXOYFQSA-N 460.384 2.239 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC12CCC2 2282515363 QNXRAJGSCQLQIA-INIZCTEOSA-N 460.384 2.239 30 10 JEEE Cc1c(C(=O)NC2CC(F)(CNC(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282552328 JVMBKRDVBVSINY-UHFFFAOYSA-N 466.363 2.153 30 10 JEEE Cc1nn(C)c(C(=O)N[C@@]23CC[C@H]2CN(C(=O)OC(C)(C)C)C3)c1B1OC(C)(C)C(C)(C)O1 2282564166 QGMSYPMWFGNWBK-NPMXOYFQSA-N 460.384 2.157 30 10 JEEE CN(C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2282578946 YBHWNPVNIWVYGN-INIZCTEOSA-N 462.400 2.438 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@]12C[C@H]1CN(C(=O)OC(C)(C)C)C2 2282586848 DYBWQSIQLIXOPO-NPMXOYFQSA-N 460.384 2.015 30 10 JEEE Cn1cc(C(=O)NC[C@]2(C)CCCN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2282589369 MXRVYFWURNRGNS-QHCPKHFHSA-N 462.400 2.486 30 10 JEEE C[C@@H](CNC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 2282612205 CYFYWNZMJYDXKD-FPTDNZKUSA-N 481.424 2.180 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C[C@H]1C(F)F 2282685911 LWBQBIYYAPODSC-TZMCWYRMSA-N 468.310 2.006 30 10 JEEE CC(C)(C)OC(=O)N[C@@]12C[C@H]1CN(S(=O)(=O)Cc1ccc(B3OC(C)(C)C(C)(C)O3)cc1)C2 2282843134 ITYRQHVFGCHFDY-GAJHUEQPSA-N 478.420 2.415 30 10 JEEE C[C@@H](c1nscc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)[C@@H]1C[C@H](O)CN1C(=O)OC(C)(C)C 2283960784 BKMCPWRDYOFEIN-DZKIICNBSA-N 481.424 2.332 30 10 JEEE O=C(C=Cc1ccc2c(c1)OCCO2)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 2325702118 YDDDIPGTJPKFAW-UHFFFAOYSA-N 492.937 2.353 30 10 JEEE COCc1nnc(SCC(=O)NCc2ccccc2)n1N=Cc1ccc2c(c1)OCCO2 2331612773 ZVYPUSPAQOPDFS-UHFFFAOYSA-N 453.524 2.486 30 10 JEEE CC(C)(C)OC(=O)N1CC(OCCCNC(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)C1 2337235530 ORGJWRQCCBNLRO-UHFFFAOYSA-N 467.397 2.198 30 10 JEEE CCN[C@@](C#N)(Cn1cnc(I)c1I)C(C)(C)OC 2340690457 OKBFQHCFCJVDCZ-LBPRGKRZSA-N 488.111 2.389 30 10 JEEE C/C(=N\Nc1nnc(SCC(=O)Nc2ccc3c(c2)OCCO3)n1N)c1ccc2c(c1)OCO2 21318283 ISLNVAKMBDSEBQ-WYMPLXKRSA-N 483.510 2.059 30 10 JEEE CCOC(=O)c1sc(=NC(=O)c2ccc(S(=O)(=O)N(CCC#N)CCC#N)cc2)n(C)c1C 254306120 DKWBBRBSBQOEJP-UHFFFAOYSA-N 489.579 2.131 30 10 JEEE COc1ccc(CCn2c(NN=Cc3cccc([N+](=O)[O-])c3)nc3c2c(=O)n(C)c(=O)n3C)cc1 254507796 LBJOVZQFCJYNJN-UHFFFAOYSA-N 477.481 2.039 30 10 JEEE Cc1c(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)nnn1-c1ccccc1Cl 504401013 IUXHTMJYBSCUJM-UHFFFAOYSA-N 470.942 2.248 30 10 JEEE CCOc1ccc(/C=C/C(=O)[C@@H]2C[C@H](NC(=O)CN3C(=O)c4ccccc4C3=O)CCN2)cc1OC 585823972 CRPRBIYMTGIVLO-VDBVYGODSA-N 491.544 2.209 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)C[S@](=O)CCCN2C(=O)c3ccccc3C2=O)nc1C 586304998 VXFYLUJJXBELMM-JGCGQSQUSA-N 475.548 2.168 30 10 JEEE Cc1ccc(S(=O)(=O)OCCOCCOCCOCC(=O)OCc2ccccc2)cc1 885163450 ZIKPOVLGKJQYRK-UHFFFAOYSA-N 452.525 2.494 30 10 JEEE C#CCCCCn1c(Cc2csc(C)n2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1286328738 PRLPECYEFRMXRC-PGRDOPGGSA-N 469.659 2.426 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@H](C2CC2)N(C)C)CC1 1286491325 NEAIZGPUDMAOLF-QFIPXVFZSA-N 464.614 2.184 30 10 JEEE C#CCSCCn1c(-c2cccnc2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1286504434 RAHWWXATTWEWHY-OYRHEFFESA-N 481.670 2.333 30 10 JEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(Cc2ccc(OC)cc2)C(=O)C1 1286606295 LSEFHSUBISFIIN-OAQYLSRUSA-N 482.585 2.069 30 10 JEEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1286608277 PDAQZYGAIWIBPR-ROUUACIJSA-N 489.589 2.075 30 10 JEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCN2CCN(c3ccccc3)CC2)CC1 1286637807 NDRJTRKRWCSSCN-NRFANRHFSA-N 487.674 2.257 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1286671051 OFCITTAAEROWJF-LJQANCHMSA-N 468.606 2.211 30 10 JEEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H](C)N1CCN(CC)CC1 1286717082 QTUWNNSYZSZVOT-GOSISDBHSA-N 474.679 2.195 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1286779093 DMSPCPUFTSXLLT-GOSISDBHSA-N 482.976 2.298 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 1286820655 OTTOWRXQHOKQMM-MOPGFXCFSA-N 481.663 2.499 30 10 JEEE CC(C)(C)OC(=O)N(CCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](C#N)C1)C1CC1 1287047385 BIBIHKYGDCRUOX-KRWDZBQOSA-N 482.545 2.054 30 10 JEEE C#CCN1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2C[C@](C)(O)CCC(C)C)CC1 1300698699 YNPXNGBMJVCHGR-AREMUKBSSA-N 477.613 2.134 30 10 JEEE C=C(Br)Cn1c(N2C[C@@H](N3CCN(C(C)=O)CC3)[C@H](C)C2)nnc1C(C)(C)C 1300861463 IYNLXRAAIFWCTO-RHSMWYFYSA-N 453.429 2.473 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(C)(C)N2C[C@H](C)O[C@H](C)C2)CC1 1301124485 JAQMVKKTCWPOCK-WSTZPKSXSA-N 465.664 2.470 30 10 JEEE C=CCN(c1nnc(-c2cccc(Br)c2)n1C[C@@]1(O)CCS(=O)(=O)C1)C1CC1 1301317526 WZHHCMGAMBXIAG-IBGZPJMESA-N 467.389 2.412 30 10 JEEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1301509666 KTLCBWNQYXOTJM-JOCHJYFZSA-N 481.645 2.072 30 10 JEEE N#C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CCc2ccc(OC(F)(F)F)cc2)CCO1 1303009052 DBLUUJIJDLKKST-QGZVFWFLSA-N 464.448 2.271 30 10 JEEE CSc1cc(Cn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@@H](C#N)C2)ccn1 1316415922 DVDBPJRNWBYXNT-HNNXBMFYSA-N 455.569 2.164 30 10 JEEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C(F)(F)F)cc1C 1358948920 OWKVYWFLYZNXTB-KRWDZBQOSA-N 471.505 2.056 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1358956863 LQSNWOLCXHISHX-KZNAEPCWSA-N 462.547 2.363 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCOCCCC)[C@H]1CCS(=O)(=O)C1 1358959766 PHTYKIUDXGUKIC-KRWDZBQOSA-N 451.980 2.437 30 10 JEEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1C[C@@H](C)COC)[C@@H]1CCS(=O)(=O)C1 1358965991 GDPKWWHOPKKHJU-UYAOXDASSA-N 460.600 2.383 30 10 JEEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1CC[C@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1358967352 IYJNLQIOXGZYIS-PZJWPPBQSA-N 488.610 2.452 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](C)N1CCN(c2ccccc2)CC1 1358968389 KBHMGAVWLNEUEL-QFIPXVFZSA-N 482.592 2.209 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 1358992340 ISYHTXDZORJCAS-HAGHYFMRSA-N 466.586 2.195 30 10 JEEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC[S@@](=O)C(C)(C)C 1358993092 FRMUWWBAWCWCBL-MGBGTMOVSA-N 467.643 2.462 30 10 JEEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(c2ccc(F)cc2)CCOCC1 1358999987 IXZDDUKAWSDICC-QGZVFWFLSA-N 463.579 2.235 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(NC(=O)CCC)cc2)CC1 1359028067 GIQJKOHYYWJRQP-UHFFFAOYSA-N 463.586 2.056 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2Cc2cnn(CCOC)c2)CC1 1359032335 KQNRSBPCEUWFSI-UHFFFAOYSA-N 469.977 2.254 30 10 JEEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(CC(F)(F)F)CC1 1359050892 GLQAFXDXVAWKFS-UHFFFAOYSA-N 487.573 2.399 30 10 JEEE C#CCSCCn1c(CCc2ccccc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1359059954 FYAVDGPBIWAYSR-JOCHJYFZSA-N 466.655 2.173 30 10 JEEE C=C(C)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1359123414 IBNDKUULQRQQRK-JOCHJYFZSA-N 489.642 2.279 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@](C)(O)C2CCCCC2)CC1 1359179240 PHQJYQCZIBTHJS-OFNKIYASSA-N 481.663 2.345 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 1359291224 IPZPAVLXJNBZQB-INIZCTEOSA-N 487.630 2.148 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1359296717 RRQYEQSXBSKDJE-SFHVURJKSA-N 461.570 2.489 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(C)nc3ccccc23)nnc1N1CC[C@@](C)(C(N)=O)C1 1359328044 RNDLEIDRQQIBPE-HSZRJFAPSA-N 468.583 2.104 30 10 JEEE C=CCSCCn1c(N2CC[C@]3(CCS(=O)(=O)C3)C2)nnc1[C@]1(OC(C)C)CCOC1 1359346539 NSQDAHJYDFCBKL-SFTDATJTSA-N 470.661 2.253 30 10 JEEE Cn1c(=O)c2ccc(NC(=O)N3CCN(c4ccc(C#N)cc4Cl)CC3)cc2n(C)c1=O 1467318320 CRPBVVPJVZDPCV-UHFFFAOYSA-N 452.902 2.116 30 10 JEEE Cc1cccc(-c2nnc(N3CC=C(c4ccc(C#N)cc4)CC3)n2CCNS(C)(=O)=O)n1 1492505807 FBDUSXCCARMDMM-UHFFFAOYSA-N 463.567 2.363 30 10 JEEE CCOCC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1502993822 BWVGYXFGRSMCDH-UHFFFAOYSA-N 477.569 2.448 30 10 JEEE N#Cc1ccc(OCc2nnc(N3CCCCCCC3)n2CC2(O)CCS(=O)(=O)CC2)cc1 1505318234 GLGSLYIHKWXUDH-UHFFFAOYSA-N 473.599 2.439 30 10 JEEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccccc1CN1CCOCC1 1507603774 DBJBDKSFCDRRGQ-RUZDIDTESA-N 453.587 2.269 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCSC1)[C@H]1CCS(=O)(=O)C1 1507624553 BMJORFMBBYSZLD-HIFRSBDPSA-N 484.445 2.416 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC(C)(C)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1507631019 AZOKIDZEGVEIFX-MSOLQXFVSA-N 495.646 2.450 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCOc1c(C)cccc1C)[C@@H]1CCS(=O)(=O)C1 1507639599 ZZPPZIXLLJTIMR-WOJBJXKFSA-N 458.584 2.452 30 10 JEEE C#CCN(CCOC)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@H]1CCS(=O)(=O)C1 1507702489 LLZMFYVQHYRNTP-IRXDYDNUSA-N 450.536 2.078 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](c2ccc(C)cc2)N2CCCC2)CC1 1507715498 BXICFXYEVQMJKZ-QHCPKHFHSA-N 463.630 2.317 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccc2F)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1507794242 HAGZMGJGTXCDBI-WIYYLYMNSA-N 484.576 2.239 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1507799013 UXNLZLKWCNDEJK-DENIHFKCSA-N 483.573 2.045 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1507811225 ORZQFHOMNOKGQA-KNQAVFIVSA-N 454.575 2.221 30 10 JEEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1507830720 UPULMOYGBAEENJ-IAGOWNOFSA-N 469.608 2.176 30 10 JEEE C=CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1508042591 RRXHMEHUUPURFX-UHFFFAOYSA-N 453.591 2.324 30 10 JEEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1508079674 CHVGRNQYIKJPPF-UHFFFAOYSA-N 492.628 2.109 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 1508085539 GXUNFALOVZKYOQ-SJORKVTESA-N 479.368 2.416 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2OCC)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1508094069 MHLMMSVITDBETJ-RBUKOAKNSA-N 454.575 2.231 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCS[C@@H](C)[C@@H]1C 1508136514 SNOCRMHCLALWOR-HOTGVXAUSA-N 484.669 2.280 30 10 JEEE CCCNC(=O)CCn1c(Cc2ccccn2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1515070573 FKTJEHMWJXISIW-UHFFFAOYSA-N 472.597 2.374 30 10 JEEE COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCN2CCOCC2)cc1Br 1518163929 CFUDIURSHZHWLE-QGZVFWFLSA-N 491.390 2.167 30 10 JEEE COc1ccccc1OCc1nnc(N2CCC(CC#N)CC2)n1C[C@H]1CCS(=O)(=O)C1 1518511178 HKVHBZBQETYEHA-GOSISDBHSA-N 459.572 2.430 30 10 JEEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(N2CCOCC2)CCSC1 1539029580 KJIOKFMZTROTEN-CYFREDJKSA-N 466.611 2.395 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccc(C)n3)n2C[C@@]2(O)CCO[C@@H]2C)c1 1539039534 DCKFXWACJUMSLI-CJAUYULYSA-N 460.538 2.245 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2ccccc2F)n1CCc1cn[nH]c1)[C@@H]1CCS(=O)(=O)C1 1539206371 OFUXZYXZAXFCJS-SJLPKXTDSA-N 472.546 2.150 30 10 JEEE C#CCN(c1nnc(-c2ccccc2F)n1Cc1c(CC)nn(C)c1OC)[C@@H]1CCS(=O)(=O)C1 1539212807 YAKRGAGMANWDIS-MRXNPFEDSA-N 486.573 2.064 30 10 JEEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1)[C@H]1CCS(=O)(=O)C1 1539216251 PUQXRUHJJYCZMK-WCVJEAGWSA-N 473.521 2.150 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1CCNC(=O)[C@@H](C)CCC)[C@@H]1CCS(=O)(=O)C1 1539218862 FFLSRYSYZYLRFH-ZWKOTPCHSA-N 451.637 2.046 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](c2ccccc2Cl)N(C)C)CC1 1539428099 MXNJURKVOBBAPY-OAQYLSRUSA-N 470.021 2.226 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](CC)c3ccccc3)n2CC(=O)NCC(F)(F)F)CC1 1539469299 REVPDKGVZHXFEI-LJQANCHMSA-N 490.530 2.464 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(C)cc1C 1539557275 PFBCPPFAUGOGHG-ZJSXRUAMSA-N 471.627 2.463 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCN(S(=O)(=O)CCOC(C)C)CC2)nnc1C(C)(C)C 1539643195 VBJARYVNXPPUTE-PMACEKPBSA-N 483.679 2.434 30 10 JEEE C=CCCOCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1540019604 BOQUSWIERDHZSR-AWEZNQCLSA-N 458.382 2.252 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cccc(C(C)(C)O)c2)C1 1540893248 ZEUGQQSTEMIGFO-QUCCMNQESA-N 460.600 2.237 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1540897098 AFCMPBDFZYFDMM-OPAMFIHVSA-N 493.561 2.189 30 10 JEEE CC(C)(O)CCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CC[C@@](F)(C#N)C1 1541246111 CTNHNRKPZWWJDX-XMMPIXPASA-N 455.582 2.246 30 10 JEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(CC(=O)N2CCc3ccccc32)CC1 1543075147 KDYVWYKZSHBYTA-FQEVSTJZSA-N 454.571 2.027 30 10 JEEE CC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)N2CCOCC2)CCN1CCOC 1546731760 HCEOTRBZKQZINP-QHCPKHFHSA-N 481.645 2.475 30 10 JEEE C=C[C@@H]1OCC[C@H]1CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1 1585545785 ADKAXNWBKIIMMR-AVRDEDQJSA-N 463.600 2.019 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCNC(=O)c1cccs1 1587580981 UDUQBBYIYCOTCY-INIZCTEOSA-N 486.623 2.145 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3OCC[C@H]3COC)n2CCc2nccnc2C)c1 1587697666 WKEZLBPBMNLQIG-RDPSFJRHSA-N 489.580 2.399 30 10 JEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)Nc1cccc(C#C)c1 1587765520 HKQRCOYXJNHCNU-LJQANCHMSA-N 453.568 2.040 30 10 JEEE C#CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1587831020 HOXNFYVYYJBANN-UHFFFAOYSA-N 475.553 2.196 30 10 JEEE C#CCN(c1nnc([C@@H](CC)c2ccccc2)n1CCNC(=O)c1ccco1)[C@H]1CCS(=O)(=O)C1 1588034421 FSXXBYFKWFQNNC-SFTDATJTSA-N 495.605 2.470 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1CCc1ccn(C)n1)[C@@H]1CCS(=O)(=O)C1 1588040166 IWACXTGUYGYNEY-GOSISDBHSA-N 489.001 2.210 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1CCN(C)CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1588045448 KXTPEAYVAQPPQW-KRWDZBQOSA-N 469.533 2.374 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CCSC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1588064417 HYRLPRYRJVXFIS-HNNXBMFYSA-N 459.519 2.144 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CCSC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1588064418 HYRLPRYRJVXFIS-OAHLLOKOSA-N 459.519 2.144 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@H]1CCC=CO1)[C@H]1CCS(=O)(=O)C1 1588069539 QDKBBZVOXKRJNB-PZJWPPBQSA-N 456.568 2.485 30 10 JEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1588125015 YNTIEHJHPNSGPC-WOJBJXKFSA-N 497.669 2.199 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)c(Br)c1 1588138747 INBXJVHRKISLTN-MRXNPFEDSA-N 477.384 2.072 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1589496231 WTVTVQXEVZNVDN-MANSERQUSA-N 451.568 2.260 30 10 JEEE C=C(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1593672022 YHJBEEUGNGBKRW-LJQANCHMSA-N 456.572 2.309 30 10 JEEE C=CCCOCCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1594830307 VUKZTIBOMKAOLK-NVJIOZQYSA-N 450.580 2.369 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@H]1c1nncn1C 1595475700 DTKGXUMCTVCYGO-WBVHZDCISA-N 454.510 2.329 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCC[C@@H](C(=O)NC)C1 1595506824 NQFTYLZLKHMHEJ-CYBMUJFWSA-N 479.354 2.111 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1595529688 DLUWGPFTQCRQHO-UHFFFAOYSA-N 463.517 2.052 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1595602710 PBYRWJRNFDTIGB-NXLVEIQXSA-N 474.650 2.046 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2Cc3ccccc3O[C@@H](C)C2)nnc1[C@]1(OCC)CCOC1 1595831791 WLGCMIBLVCCOEG-MBSDFSHPSA-N 476.599 2.319 30 10 JEEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1595877909 CWFIGWGFEPWSDE-SFHVURJKSA-N 457.560 2.383 30 10 JEEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1595884049 GKDDGRMLULRXGE-NJDAHSKKSA-N 476.691 2.328 30 10 JEEE C=CCn1c(S)nnc1Cc1csc(NC(=O)C(C)(C)NC(=O)COC(C)(C)C)n1 1611072818 NNTSQAZQKVYCAK-UHFFFAOYSA-N 452.606 2.449 30 10 JEEE CCN(CC)CCCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1615443876 HPSRHYJOQJUARU-NRFANRHFSA-N 469.638 2.492 30 10 JEEE CCN1CCN([C@H]2CCN(c3nnc(COc4ccc(C#N)cc4)n3CCN(C)C(C)C)C2)CC1 1615875722 HXKRJCJDADECEW-QHCPKHFHSA-N 480.661 2.285 30 10 JEEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H](c2c(F)cccc2F)N(C)C)CCOC1 1616260586 DKWJOZRGQISCNW-XKDCRVNJSA-N 476.528 2.240 30 10 JEEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H](c2ccc(C)cc2)[C@@H](C)S(C)(=O)=O)c1 1618211750 IFYZLXCZJAQOIN-UZLBHIALSA-N 450.582 2.364 30 10 JEEE N#CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cccc(C(F)(F)F)n2)CC1 1620353164 HLWGKWCILFBGGE-CQSZACIVSA-N 454.478 2.382 30 10 JEEE Cn1ccnc1[C@](O)(CCNS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)C(F)(F)F 1661733541 GGMYNJCRUCNIFO-CQSZACIVSA-N 456.368 2.429 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(N2CCOCC2)c(F)c1 1689830470 AICWRIDRZVBTKM-KOSHJBKYSA-N 457.550 2.412 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1ccc(F)cc1)C1CC1 1689930475 SDJOUDJJHCLWMT-HXUWFJFHSA-N 461.563 2.333 30 10 JEEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1ccc(-n2ccnc2C)nc1)[C@H]1CCS(=O)(=O)C1 1689979959 JQBAJAJRJDPNBZ-PXNSSMCTSA-N 467.599 2.356 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CCOC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1689996305 GXVOCKBCZAHXFN-IBGZPJMESA-N 471.583 2.171 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(C)cc1C)[C@@H]1CCS(=O)(=O)C1 1689998400 LJSYVCADUZRYLT-BDTNDASRSA-N 472.611 2.294 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(O)CCC[C@@H]1C 1690103843 HRVOOPOEMPMAFM-JXQFQVJHSA-N 477.606 2.224 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2C[C@H]2CCC(=O)N2)CC1 1690115676 PAPQCUOXZZXRCH-OAHLLOKOSA-N 477.794 2.395 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccccn3)n2C[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 1690119866 VQTXIAZXDGIDOM-LJQANCHMSA-N 451.575 2.495 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCN2CC=CCC2)CC1 1690135554 ZDDVBGXRLQZQRS-OYRHEFFESA-N 469.634 2.066 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1690195732 PAHKXQPKIACTPX-WVQWTBLQSA-N 469.561 2.406 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCS(=O)(=O)C1 1690267282 YWXMJSVDJVLSDO-ROUUACIJSA-N 483.635 2.424 30 10 JEEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1690474300 ZFTWMCGTRVNCOS-MJGOQNOKSA-N 463.604 2.402 30 10 JEEE C=CCN(CCc1ccco1)c1nnc(CN2CCCC2=O)n1C[C@H]1CCCCS1(=O)=O 1690609587 UISCDXBUIQRRFK-LJQANCHMSA-N 461.588 2.196 30 10 JEEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1690655003 DDWOHZZAJIQPMJ-ICSRJNTNSA-N 461.588 2.007 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1690665869 RZGOYSGOPPGCPI-UHFFFAOYSA-N 466.586 2.485 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(NC(C)=O)nc2)C1 1690712593 YYIVEJCIYCDNEO-SFHVURJKSA-N 481.582 2.453 30 10 JEEE C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CC(=O)N(C)C 1692818540 ALJLGKRLYORUSB-IRXDYDNUSA-N 493.547 2.022 30 10 JEEE CC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(C(N)=O)CCCC2)CCN1CCOC 1694922233 DRDWJYOHQQTMQX-NRFANRHFSA-N 465.602 2.409 30 10 JEEE CCCOc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCCS(=O)(=O)C2)cc1OC 1695498496 BYGOOPYMQUGNIP-IEBWSBKVSA-N 489.598 2.296 30 10 JEEE CO[C@@H]1CCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1697647040 CNWAWRPTYNWVCY-AZUAARDMSA-N 458.588 2.150 30 10 JEEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@]1(N2CCOCC2)CCSC1 1705558724 GRZUAFVIMUTNQR-YDIMBITNSA-N 490.674 2.326 30 10 JEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC[S@@](=O)C(C)(C)C 1705574731 LWVUKAOWKKCGOV-JGCGQSQUSA-N 474.656 2.167 30 10 JEEE C#CCSCCn1c(-c2ccccc2Cl)nnc1N1CCN(CC(=O)NC2CC2)CC1 1705657833 SJTQDENYPHKRQP-UHFFFAOYSA-N 459.019 2.366 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC2CC2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1705705251 FOMRJQXJUXCAGP-WIYYLYMNSA-N 451.637 2.462 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H]1CCN(Cc2ccccc2)C1 1705736833 DPLRIRTVBNZORE-VXKWHMMOSA-N 473.643 2.484 30 10 JEEE C=CC1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1705784767 IKWROTSUJVTZKW-NRFANRHFSA-N 466.991 2.463 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1705791928 IKRMANDNXXRUBO-SFHVURJKSA-N 489.646 2.216 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCC(CCCN2CCOCC2)CC1 1705902725 MEAGXOMGQRDNSI-UHFFFAOYSA-N 456.591 2.478 30 10 JEEE C=CCNC(=O)Cn1c(N2CCO[C@@H](c3cccc(Cl)c3)C2)nnc1[C@@]1(OCC)CCOC1 1705908577 DIXHUWPUZXYVIP-AUSIDOKSSA-N 475.977 2.464 30 10 JEEE CC[C@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCN1CCN(C)C(C)(C)C1 1708531642 FPXAHJOHKFHHMW-PMACEKPBSA-N 480.665 2.194 30 10 JEEE CCN(CC)[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1710015826 CMGYKZRGRIVFIA-HKUYNNGSSA-N 453.547 2.100 30 10 JEEE COc1ccncc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1712026117 FZKSACIFDFZTPP-UHFFFAOYSA-N 481.582 2.129 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccc(C)n3)n2CC(=O)NCC(F)F)c1 1722309493 OBAXYPSGBDJYSB-UHFFFAOYSA-N 467.480 2.086 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@H](C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 1722370268 BFCCFXHQXAXDPR-GGAORHGYSA-N 469.655 2.422 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2CCCN2CCN(CC)CC2)CC1 1722448628 FGGYZYXVHYUOIH-UHFFFAOYSA-N 491.684 2.171 30 10 JEEE C=C(Br)Cn1c(-c2cccnc2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1722484435 RLJYHAGOMZLQLP-LJQANCHMSA-N 460.336 2.063 30 10 JEEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CC(=O)NC(C)C 1722551522 ALFJZYPMNGIEOC-HNNXBMFYSA-N 456.975 2.300 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(CCc2ccccc2)CC1 1722728959 UQOVFUGXMIQLSU-JOCHJYFZSA-N 473.643 2.138 30 10 JEEE CCCn1nc(-c2nnc(N(C)C[C@@H](C)C#N)n2CCNC(=O)C2CC2)c2ccccc2c1=O 1728161453 CMBHIBNJJBRFIO-INIZCTEOSA-N 462.558 2.187 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)cc(OC)c2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1740536398 GEKQAXXZTLDFEU-AVRDEDQJSA-N 468.602 2.363 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)c(OC)c2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1740543813 WXRNMWPXLWPJPJ-UYAOXDASSA-N 468.602 2.363 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCCN1CCC[C@H]1CO 1740550865 RNDQAQKDWMLLBZ-PCCBWWKXSA-N 490.649 2.281 30 10 JEEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](n2cncn2)C1 1740590135 FPESNQSAMMAOCT-RTBURBONSA-N 470.578 2.433 30 10 JEEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCN1C[C@H](C)O[C@H](C)C1 1740608553 HAYZCGYAJCUIFT-KDURUIRLSA-N 463.586 2.244 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1Cc1c(Cl)c(C(F)(F)F)nn1C)[C@H]1CCS(=O)(=O)C1 1740623830 BLZJLDNHABPKMV-ZDUSSCGKSA-N 490.939 2.311 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2CCS(C)(=O)=O)CC1 1740692923 PGAAAVBNUAJDRZ-UHFFFAOYSA-N 459.616 2.170 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@@H]2CCCN2CCCO)CC1 1740697477 GAJIKCUMKJKWTG-KRWDZBQOSA-N 493.475 2.371 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)c2ccsc2)CC1 1740717148 KUCQTROOZWMOFB-QGZVFWFLSA-N 493.680 2.007 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C)nnc1N1CCN(S(=O)(=O)N(CCC)CCC)CC1 1740754621 UNBMKZSWGZMOQS-WOJBJXKFSA-N 454.641 2.057 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H](C)N1CCN(CC)CC1 1740770600 YNFIHQZKMRSTCK-FQEVSTJZSA-N 464.622 2.349 30 10 JEEE C=CC1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCCNS(C)(=O)=O)CC1 1740833820 BQBNPIFKPTVJRH-UHFFFAOYSA-N 481.022 2.203 30 10 JEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCN(C)C(=O)OC(C)(C)C)C1CC1 1740911184 XKFWGCDVWRDBBS-GOSISDBHSA-N 498.650 2.023 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc(-c2cccn2C)n1C[C@@]1(O)CCS(=O)(=O)C1 1740935333 JMUQLUJZBKUHLY-QHCPKHFHSA-N 455.584 2.068 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 1740961464 DIENOLRUIVCODS-UHFFFAOYSA-N 469.590 2.402 30 10 JEEE C=CCNC(=O)Cn1c(N2CCO[C@@H](Cc3ccccc3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1740966209 WVEHLHATRBUPLT-SQJMNOBHSA-N 469.586 2.069 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1740990799 FTOYECBQGAUUSC-IRXDYDNUSA-N 485.614 2.114 30 10 JEEE C[C@H]1CN(C(C)(C)Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(CCC#N)CC2CC2)C[C@@H](C)O1 1743196675 BXPWWCKJFPGYBN-NSHGMRRFSA-N 478.663 2.198 30 10 JEEE CCN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1C[C@H](C(C)C)N1CCOCC1 1746335382 AELHWFKVPYHDGW-OAQYLSRUSA-N 474.631 2.044 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2CC2(S(C)(=O)=O)CCC2)c1 1748692853 QJDHCMNYQZZEDS-LJQANCHMSA-N 485.610 2.196 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC2(O)CC(OCC)C2)CC1 1748977341 GPHZMZXNZGUOJH-SJDLUZLQSA-N 457.550 2.242 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccccc3C)n2CC2(OCCOC)CCOCC2)CC1 1748984414 RCOQGXDFQOMCCW-UHFFFAOYSA-N 453.587 2.221 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3CC)n2Cc2cccn(CC)c2=O)CC1 1748999050 GMXNATIQZUPUBL-UHFFFAOYSA-N 460.582 2.405 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CCCOC[C@@H]2CCOC2)CC1 1749008900 IXCLXECPFSVKGE-FQEVSTJZSA-N 466.586 2.058 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCOc2ccc(F)c(F)c2)CC1 1749009441 IZEIEDYYAOTSIZ-SFHVURJKSA-N 473.524 2.495 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2Cc2nccs2)CC1 1749016006 WFSIIOBTVLIUKY-UHFFFAOYSA-N 450.568 2.370 30 10 JEEE C=C(C)Cn1c([C@H](C)CC)nnc1N1C[C@@H]2[C@@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1749170400 NKESPOGISCUHGG-NCOADZHNSA-N 453.609 2.494 30 10 JEEE C=C(Cl)Cn1c(N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)nnc1[C@]1(OCC)CCOC1 1749283984 FUCMCTJBFZMTHO-XXBNENTESA-N 474.993 2.031 30 10 JEEE C=CCCCn1c(N2CCN(C(=O)CN3CCCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1749440174 UERCPONMUAHUMX-XMMPIXPASA-N 460.623 2.029 30 10 JEEE C=CCCOCCn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1749461898 KXQQPBDXKGKKEJ-ZWKOTPCHSA-N 451.568 2.452 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1749650693 FKXYKDKXPCDAGT-VQTJNVASSA-N 486.592 2.408 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCCN(C(=O)c2ccccc2)CC1 1749740984 MDIAWMHOFQSPNF-HXUWFJFHSA-N 473.599 2.083 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(CN2CCO[C@@H](C)C2)c1 1750068388 BUNQYHCDYQSWPD-LVCYWYKZSA-N 451.575 2.094 30 10 JEEE Cc1cc([C@@](C)(O)Cn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@H](C#N)C2)c(C)o1 1751386767 HINMKIDTKIKPKE-ZHRRBRCNSA-N 470.555 2.116 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@](C)(OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1760180196 AATYSTYPRAGFMZ-NTKDMRAZSA-N 488.610 2.404 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC1(Sc2ccccc2)CC1)[C@@H]1CCS(=O)(=O)C1 1760183166 OPDYOXSUGLMELF-GOSISDBHSA-N 487.651 2.368 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CCCO[C@H]1C(C)C)[C@@H]1CCS(=O)(=O)C1 1760184151 VTWZEEGSHRXBNM-TYPHKJRUSA-N 493.674 2.274 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1CCCN1CCCCC1=O)[C@@H]1CCS(=O)(=O)C1 1760184979 NFHSOWWGNAYOJI-HXUWFJFHSA-N 469.611 2.283 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@]1(N(C)C)CCSC1)[C@H]1CCS(=O)(=O)C1 1760192119 QYEZFVXMTXVZKZ-XUZZJYLKSA-N 487.695 2.127 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CN(CC(C)C)CCO1 1760216222 GBKXPEYPPMTUNM-NRFANRHFSA-N 497.669 2.058 30 10 JEEE C#CCN(CCOC)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc2c(c1)OCCCO2 1760244347 RFRXPJIVUIOVEI-DEOSSOPVSA-N 456.543 2.226 30 10 JEEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2CCCN2CCCCCC2=O)CC1 1760261823 WYKYQHLMXALAKE-UHFFFAOYSA-N 464.614 2.448 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1760306701 JUWAEENFNIWNHD-LLVKDONJSA-N 495.325 2.324 30 10 JEEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1760352878 ZSQSBNMAJWNQPX-SFHVURJKSA-N 455.563 2.211 30 10 JEEE C=C(Cn1c(C(=O)NC(C)C)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1)c1ccccc1 1760360421 BBVQHNYZBHABHK-UHFFFAOYSA-N 474.631 2.380 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C(CC)CC)N(C)C)CC1 1760402154 IBYQUNOSZRPYGN-SFTDATJTSA-N 482.695 2.380 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(C#N)CC1 1760412703 PSFFTWJPACKJNW-QGZVFWFLSA-N 450.609 2.343 30 10 JEEE C=CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(CCOC)CC1 1760432244 JBXCSMIQVDJJQS-UHFFFAOYSA-N 461.636 2.281 30 10 JEEE C=CCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1760443935 RBISQOTYMJWSQM-INIZCTEOSA-N 460.991 2.337 30 10 JEEE C=CCn1c(N2CCC(N(CC)S(C)(=O)=O)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1760513077 JAOOBXBKPBJDJZ-CALCHBBNSA-N 482.651 2.485 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(C(=O)CCC2CCCC2)CC1 1760525440 GEKZULICMCXHKN-UHFFFAOYSA-N 465.602 2.185 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1760555535 HUIWPEZAAFLRPI-MOPGFXCFSA-N 463.608 2.170 30 10 JEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 1760566111 LNVHICJSRVDEML-MSOLQXFVSA-N 470.661 2.121 30 10 JEEE CC(C)Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCN1CCN(C)C(C)(C)C1 1761035745 BOTUSLIJLXGFNA-UHFFFAOYSA-N 465.650 2.096 30 10 JEEE CCO[C@]1(c2nnc(N(C)[C@H](C)CC#N)n2C[C@@H]2C[C@H](F)CN2Cc2nccn2C)CCOC1 1765808775 DQHFQSHXKADHRA-GKAYAJSDSA-N 474.585 2.015 30 10 JEEE CS(=O)(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2CC(F)(F)C2)C1 1770325331 IAAPSGPEEGGRDV-QGZVFWFLSA-N 451.499 2.397 30 10 JEEE CCN(CC)CCCNC(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2cccc(C#N)c2)cc1 1858976850 AGXCMRNQKACBOC-UHFFFAOYSA-N 485.610 2.251 30 10 JEEE CN1CCCc2cc([C@H]3C(C(=O)c4ccc5c(c4)OCCO5)=C(O)C(=O)N3CCO)ccc21 1862611903 WJBWPVSZCKBJOH-QFIPXVFZSA-N 450.491 2.411 30 10 JEEE COc1ccc([C@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2CCCNC=O)cc1O 1862642849 PESROKKALYXGCZ-FQEVSTJZSA-N 458.442 2.263 30 10 JEEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(C(=O)O)cc1 1862740941 YDHYWNNLJUFUPO-SFHVURJKSA-N 453.407 2.007 30 10 JEEE COc1ccc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2CCNC(C)=O)cc1O 1862754651 OZVZRORSFFZULC-IBGZPJMESA-N 455.423 2.023 30 10 JEEE N#Cc1ccccc1NC(=O)CNC(=O)c1cc(-c2cccs2)n([C@H]2CCS(=O)(=O)C2)n1 1868145085 GEOVVNJLCSIJMV-HNNXBMFYSA-N 469.548 2.211 30 10 JEEE C=CCn1cc(OCC(=O)N=c2nc3nc(C)cc(C)n3[nH]2)c(=O)cc1CSc1ccccn1 1870258572 APMKOJBCQJPJKV-UHFFFAOYSA-N 477.550 2.216 30 10 JEEE C=CCn1c(C(=O)N2CCOCC2)cc2c(N3CCN(Cc4ccc5c(c4)OCO5)CC3)ncnc21 1873562912 YWWRMLQXVCNMJH-UHFFFAOYSA-N 490.564 2.141 30 10 JEEE CN1CCN(CC#CCOC2CCN(C(=O)c3ccc(Br)c(F)c3)CC2)CC1 1890042352 YMIOBAYSGQDMRB-UHFFFAOYSA-N 452.368 2.460 30 10 JEEE Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C=CC(=O)OCC(=O)Nc1cccc(C#N)c1 2040425662 AXYUHKDOZJRDTC-MRXNPFEDSA-N 462.915 2.271 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CO)CNC(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1Cl 2247802263 OQTBTQVEXWMHHX-LLVKDONJSA-N 460.789 2.316 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H](O)C[C@H](NC(=O)OC(C)(C)C)C2)s1 2267110174 ZXVVMGMSROVEFW-GJZGRUSLSA-N 466.409 2.456 30 10 JEEE CN(C[C@@H]1CN(C(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)CCO1)C(=O)OC(C)(C)C 2267483192 OYNKDTWKGLXKIU-MRXNPFEDSA-N 450.341 2.287 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2268638428 SUYRIXJLVIHCFG-PBHICJAKSA-N 450.316 2.434 30 10 JEEE CC1(C)OB(c2csc(S(=O)(=O)N3CCC[C@@H](NC(=O)C(F)(F)F)CC3)c2)OC1(C)C 2270598129 IQTPAZYEPAUXHV-CYBMUJFWSA-N 482.355 2.269 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@H](C(=O)N3CCC(B4OC(C)(C)C(C)(C)O4)CC3)O[C@H]2C1 2279910999 ACZBAWWRUQESDN-OKZBNKHCSA-N 466.384 2.475 30 10 JEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCCC[C@H]2CCCN2C(=O)OC(C)(C)C)n1 2281955185 IDOXRZOLIDZZAE-HNNXBMFYSA-N 463.388 2.024 30 10 JEEE Cn1cc(C(=O)N2CC[C@H]3CCN(C(=O)OC(C)(C)C)[C@H]3C2)c(B2OC(C)(C)C(C)(C)O2)n1 2281959549 NYDWWASBCLORPA-RDJZCZTQSA-N 460.384 2.191 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](C1)C2NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2282015356 XCKDSPBRCCTKJO-FKEKPDDDSA-N 458.368 2.151 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2282025494 PJCIMTNTDRJDNJ-WNSKOXEYSA-N 458.368 2.295 30 10 JEEE Cn1nc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2F)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2282044265 SJFPRSNJYWWIAT-CHWSQXEVSA-N 486.781 2.450 30 10 JEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N 2282306286 LINHKQIBFPYCNM-OAHLLOKOSA-N 497.448 2.489 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@](O)(CNC(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2F)C1 2282400797 IMQUBHWDKYFEEO-QHCPKHFHSA-N 464.343 2.227 30 10 JEEE CO[C@](C)(CNC(=O)c1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C)COCc1ccccc1 2282551977 NHHJJESWVRDQDH-XMMPIXPASA-N 457.380 2.379 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](O)C[C@@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2283974860 WEGBGYHNTNDSJI-GOEBONIOSA-N 465.331 2.219 30 10 JEEE C[C@H](O)CN(CCNC(=O)OC(C)(C)C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1F 2285413923 UCDVKZMUZMWUDS-HNNXBMFYSA-N 466.359 2.473 30 10 JEEE Cc1c(C(O)=C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccncc2)cnn1-c1ccccc1 2297053631 KOYQMBJSYIEBOO-QHCPKHFHSA-N 473.533 2.330 30 10 JEEE NS(=O)(=O)c1ccc(NC(=O)CSc2n[nH]c(NN=CC=Cc3ccccc3)n2)cc1 2313921966 KXLLPCPLEVVRMN-UHFFFAOYSA-N 457.541 2.294 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCCC[C@@H](C)NC(=O)OC(C)(C)C)n1C 2337177914 ZHGBSFHKVFVRRD-CQSZACIVSA-N 450.389 2.451 30 10 JEEE COC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(OC)c(B2OC(C)(C)C(C)(C)O2)c1 2339735232 GTOSNSIZRMSIRL-INIZCTEOSA-N 450.341 2.473 30 10 JEEE CC(C)(C)OC(=O)N1CC(C(=O)N2CC[C@](C)(B3OC(C)(C)C(C)(C)O3)C2)(S(C)(=O)=O)C1 2351739152 HXZFZTVJARHEMN-FQEVSTJZSA-N 472.413 2.105 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)[C@@H]2CC[C@@H]21 2359312484 NSTQWFGEHSICPH-XHSDSOJGSA-N 458.368 2.294 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCCCC2CN(C(=O)OC(C)(C)C)C2)n1C 2362341581 UANSOHQGUHUTRG-UHFFFAOYSA-N 462.400 2.405 30 10 JEEE CC(C)(C)OC(=O)NC[C@]1(Oc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)CCCS(=O)(=O)C1 2368394535 KRERLBYDMREFNW-JOCHJYFZSA-N 482.408 2.232 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@H]2C[C@H](NC(=O)c3nscc3B3OC(C)(C)C(C)(C)O3)C[C@H]21 2369087216 BRGHWQLAWLTVSK-FVQBIDKESA-N 479.408 2.339 30 10 JEEE COc1ccc(CCNC(=O)Cc2ccc(/N=C3/N[C@@H]4CS(=O)(=O)C[C@@H]4S3)cc2)cc1OC 20354766 NYRXQCITAVANOY-NQIIRXRSSA-N 489.619 2.095 30 10 JEEE CCOc1ccc(/C=N/Nc2nc(SCCC(=O)Nc3ccc(S(N)(=O)=O)cc3)n[nH]2)cc1 20833171 HSKIHKCLOUJJKO-LPYMAVHISA-N 489.583 2.418 30 10 JEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(OCCC)c2)c(=O)n1-c1ccccc1C#N 515662738 YJJBRCNLMSYVLE-UHFFFAOYSA-N 470.554 2.365 30 10 JEEE COC(=O)C[C@H](NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)c1ccc(Br)cc1 560762118 DOFVONVXKKTWMT-KRWDZBQOSA-N 480.340 2.020 30 10 JEEE C[C@H]1Oc2ccc(C(=O)C[S@](=O)CC(=O)Nc3sc4c(c3C#N)CCC4)cc2N(C)C1=O 586353209 VTRZSTFVRMFLIC-GGQVQLDRSA-N 471.560 2.422 30 10 JEEE Cn1nnc2cc(C(=O)[C@@H](C#N)C(=O)Nc3cccc(S(=O)(=O)N4CCCCC4)c3)ccc21 729187340 ALBCOXINQHEYLF-GOSISDBHSA-N 466.523 2.104 30 10 JEEE Cn1nc(Br)c2c(=O)n(CC(=O)N3CCC[C@H]3[C@H](C#N)c3ccccc3)cnc21 1136915255 APLDKWZHOAKJDV-CABCVRRESA-N 455.316 2.191 30 10 JEEE C#C[C@H](NC(=O)CCC(=O)N1CCN(c2ncccn2)CC1)c1ccc(Br)cc1 1159634168 IZVSYEOLVMUVIW-SFHVURJKSA-N 456.344 2.159 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2CCS(=O)(=O)C(C)(C)C)c1 1286311589 NZEPWGWNMWOMMD-GOSISDBHSA-N 473.599 2.052 30 10 JEEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](CNC(C)=O)C1 1286351183 BMJLNHFRANWTNJ-UXHICEINSA-N 474.606 2.352 30 10 JEEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1CC(F)(F)C1)[C@H]1CCS(=O)(=O)C1 1286383225 LRFYGERZTFOSRN-KRWDZBQOSA-N 498.577 2.021 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1CCN(C)[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1286388362 NXNGHKOCJRXKRS-MJGOQNOKSA-N 473.599 2.031 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1C(F)(F)F 1286430875 KDIOTRSLMWJLCI-LJQANCHMSA-N 495.527 2.141 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(OC)ccc2Br)n1C[C@@]1(O)CCO[C@H]1C 1286459438 DLMFAZLVLWYIMY-BTYIYWSLSA-N 479.375 2.342 30 10 JEEE C#CCN1CCN(c2nnc(-c3noc4c3COCC4)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)CC1 1286478758 FSAHBCYYSRSNRW-QGZVFWFLSA-N 485.589 2.016 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC(=O)N[C@H](C)CC)CC1 1286486400 DVNCLMQSFSIUNL-QGZVFWFLSA-N 481.557 2.124 30 10 JEEE C#CCSCCn1c(N2CCC[C@H](Cn3nc(C)nc3C)C2)nnc1[C@]1(OCC)CCOC1 1286512723 NJJVVMJMMJWACN-REWPJTCUSA-N 473.647 2.422 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC2CCCC2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1286563109 IPBJAQYORXMWLC-RBBKRZOGSA-N 472.634 2.165 30 10 JEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccccc2F)C[C@@H]1C 1286699676 HAEREVBCPCYTKL-RXVVDRJESA-N 492.621 2.431 30 10 JEEE C=CCCOCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1286716103 FZQISRXWLHIQAD-SFYKDHMMSA-N 450.580 2.369 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cn2nc(C)cc2C)n1C[C@]1(O)CCOC1 1286740603 QYCOXOQCBYETJA-XMMPIXPASA-N 452.559 2.492 30 10 JEEE C=CCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCC(NS(=O)(=O)CC)CC1 1286773625 VYZTVSOAGVKKRP-UHFFFAOYSA-N 485.614 2.330 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2c(F)cccc2N2CCCC2)C1 1286801107 WEWLQBBZEDDVKA-MSOLQXFVSA-N 492.621 2.457 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2CCC(F)(F)CC2)C1 1286809215 HJYUKFDABHIQHL-QZTJIDSGSA-N 489.589 2.218 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H](C)[C@H](OC)C1 1286815270 QEQYSLZQEYRYAC-CZUORRHYSA-N 472.409 2.498 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cn(C)c3ccccc23)nnc1N(C)CCn1cccn1 1286818690 MNZSJGPRVOBTPM-UHFFFAOYSA-N 453.572 2.371 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCc2cc(OC)c(OC)cc2CC1 1286821762 AFVXTAHRSYZNGX-UHFFFAOYSA-N 497.621 2.487 30 10 JEEE C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCCN(S(C)(=O)=O)CC1)N1CCC[C@@H](C)C1 1291105305 HJJSWVVXDHSOQL-UXHICEINSA-N 485.658 2.409 30 10 JEEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CCC2)C[C@@H](C)O1 1291278869 DLYWGAYKDWHXCX-CALCHBBNSA-N 459.572 2.310 30 10 JEEE CN(CCNS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(N2CCCCC2)nc1 1298742183 HMWHNUYUURUIOW-UHFFFAOYSA-N 494.625 2.236 30 10 JEEE C#C[C@H](C)N(C)c1nnc(COc2ccc(F)cc2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1300325003 QNROVUHXWCVNCG-GHTZIAJQSA-N 456.566 2.397 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@H](OC)c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1300486970 CNJRMIIWEGLNQH-CTNGQTDRSA-N 471.558 2.437 30 10 JEEE C#CCN(c1nnc(CC2CCCC2)n1CCCc1nnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1300500670 CBISKOYBOWTGKV-GOSISDBHSA-N 462.645 2.430 30 10 JEEE C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1300930355 APPXGNBOSCYWCV-CYBMUJFWSA-N 457.398 2.377 30 10 JEEE C=CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1301451801 AMXDMELOOUVVTD-DLBZAZTESA-N 473.578 2.051 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(OC(C)(C)C)nc2)C1 1301538498 IFTXMPNRQDFMPM-SJLPKXTDSA-N 478.619 2.290 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1301577498 PBXLVASIHBLJQS-DEOSSOPVSA-N 473.643 2.409 30 10 JEEE CCc1nnc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(C(=O)CN(CC)CC)CC2)s1 1306054304 GTHDCZIHVBKNKC-UHFFFAOYSA-N 493.641 2.269 30 10 JEEE CCNC(=O)C(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](CN2CCOCC2)C1 1313971756 ACFGYGCRPPXNGU-OAQYLSRUSA-N 495.628 2.050 30 10 JEEE COCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1316067849 CULIFHFPNJOWLX-JOCHJYFZSA-N 475.601 2.290 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3csc(C)n3)n2C[C@]2(C)CN(C)C2=O)c1 1358902838 AYJBZVAOGTZHFE-DEOSSOPVSA-N 477.594 2.168 30 10 JEEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1CC(F)(F)C1(OC)CCOCC1 1358986384 VPWXQYIAHFRTHM-NRFANRHFSA-N 466.529 2.224 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CCCc2nnc(C)s2)CC1 1359046475 SUEREBSFFLMIFS-UHFFFAOYSA-N 484.655 2.392 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ncc(CC)s1 1359113693 OEOALZKNWUKEIT-KRWDZBQOSA-N 468.649 2.275 30 10 JEEE C=C(C)COCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1359129585 GTROGPMBHPVERK-NRFANRHFSA-N 498.584 2.322 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(Cl)ccc1OC)C1CC1 1359251134 DCLMSVAMYYCABN-IBGZPJMESA-N 482.006 2.476 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c(-c2cnccn2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1)C(C)C 1359266258 XGNARDJJMXRMMT-SESVDKBCSA-N 450.591 2.149 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Br)cc3)n2CCS(=O)(=O)NC)C1 1359315360 SSFZFCKXJJWFJB-INIZCTEOSA-N 470.393 2.038 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC(C(=O)c2ccc(O)cc2)CC1 1359333164 POIUGECPDLWWHL-LJQANCHMSA-N 474.583 2.188 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@H](c2nnc(N3CC[C@](F)(C#N)C3)n2CCCS(C)(=O)=O)C1 1359555736 BCIXBSYGTPGZOA-KKSFZXQISA-N 484.598 2.269 30 10 JEEE C=C[C@@H]1OCC[C@H]1CNC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1 1436927921 IEJYNBSQJVWRKH-AVRDEDQJSA-N 463.600 2.019 30 10 JEEE C#CCN(C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1)C1CSC1 1453157956 FGYXBKIXGYHMRL-CQSZACIVSA-N 457.415 2.427 30 10 JEEE COC(=O)c1cc2ccccc2cc1S(=O)(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 1475099395 BQUNHQMIGAKEMB-OAHLLOKOSA-N 451.508 2.187 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2ccc(OC)cc2)CCC1 1507538290 LGDYAFSOUKWLQL-RXVVDRJESA-N 487.626 2.199 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1c[nH]c2cccc(C)c12 1507539490 WCCUGZLGMYHBPZ-YLJYHZDGSA-N 470.599 2.101 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2C[C@@]2(C)COCCO2)c1 1507550315 IYPSWQUQKBXGCQ-DVECYGJZSA-N 453.543 2.034 30 10 JEEE C#CCCCn1c([C@H](C)CC)nnc1N1C[C@@H]2[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1507575219 RCORTLHIFMUEJU-ZJPYXAASSA-N 465.620 2.332 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCOCC(=C)C)[C@@H]1CCS(=O)(=O)C1 1507625175 HTMAUVBCVGVPKZ-MRXNPFEDSA-N 482.404 2.255 30 10 JEEE C#CCN(c1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1cnnn1C)[C@H]1CCS(=O)(=O)C1 1507628009 MJLKLQQSYJFFQT-IBGZPJMESA-N 467.599 2.046 30 10 JEEE C#CCN(c1nnc(-c2ccc(OCC)c(OC)c2)n1Cc1ccc(C#N)o1)[C@H]1CCS(=O)(=O)C1 1507628561 PDYHVPUIFVHYQA-SFHVURJKSA-N 495.561 2.492 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@H](c1ccco1)N(C)C)[C@H]1CCS(=O)(=O)C1 1507629526 NDYYHTUFJXMONM-AZUAARDMSA-N 483.594 2.476 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCc1ccc(F)c(F)c1F)[C@@H]1CCS(=O)(=O)C1 1507631653 FTIPULFUHJXJRT-HZPDHXFCSA-N 468.501 2.069 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@H](C)N(C)C1CC1)[C@@H]1CCS(=O)(=O)C1 1507635561 XEWGUOJWIACVNO-LAUBAEHRSA-N 459.591 2.117 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCc1ccc(C)cc1C)[C@@H]1CCS(=O)(=O)C1 1507637987 NRRCCNMGXSWEJB-ZRBLBEILSA-N 486.638 2.488 30 10 JEEE C#CCSCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1507744544 NBNSEOQPQGJEPX-IBGZPJMESA-N 465.583 2.043 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C 1507763572 CZTLZNHNEKCOGS-PNLZDCPESA-N 480.635 2.280 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(CCS(C)(=O)=O)C1CC1 1507808602 RDSLJQGQJFDZIJ-WIYYLYMNSA-N 462.620 2.134 30 10 JEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccc(OCCN(C)C)c2)CC1 1507882205 SOWWEBMLFZVIFA-SFHVURJKSA-N 462.620 2.033 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCN(c2nc(CC)ns2)CC1 1508086669 NYXGQOPMOWPVKA-UHFFFAOYSA-N 470.578 2.051 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1508091532 VCYPBRXXHGRSRF-QZTJIDSGSA-N 462.595 2.168 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CCc2c(ccnc2O)C1 1508147823 CLBXNPAWXSHPRL-UHFFFAOYSA-N 473.530 2.260 30 10 JEEE CCN(CC)C(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCCCC2)CC1 1515489026 DTPNNCGGCOOOAM-UHFFFAOYSA-N 478.645 2.293 30 10 JEEE COCC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(N(C)C)CCC2)CC1 1518658591 IFZXSXLXNKVFPU-UHFFFAOYSA-N 451.575 2.032 30 10 JEEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1539154903 MDPNOIIFIUUQTE-NVXWUHKLSA-N 495.447 2.320 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1CCN(CC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1539211700 NIDAJCMPNKELLJ-LJQANCHMSA-N 457.600 2.065 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@H](C)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1539220171 QEMBEPIVOGNTAO-GHTZIAJQSA-N 461.607 2.365 30 10 JEEE C#CCN(c1nnc(C2CCCC2)n1CCCOC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1539221914 SNTGCFYDRDONOF-LJQANCHMSA-N 450.605 2.148 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1CCC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1539229859 IUMBBTHEIJJCAS-LJQANCHMSA-N 458.584 2.097 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ncccc1C 1539384550 KCYNRZNIVYUARG-QGZVFWFLSA-N 456.547 2.419 30 10 JEEE C#CCN1CCN(c2nnc(-c3cnccn3)n2Cc2cc(OC)ccc2OC(F)F)CC1 1539446108 QRDZBTJTKGLSFO-UHFFFAOYSA-N 455.469 2.149 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCCOCC(F)F)CC1 1539474078 IXQXJTXJRSPWSG-UHFFFAOYSA-N 475.496 2.311 30 10 JEEE C#CCSCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCN(CC(=O)N(C)C)CC1 1539511121 QUEPGVNQFYALQM-UHFFFAOYSA-N 451.600 2.003 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H]1C[C@@H](OCC)C12CCC2 1539517123 IWKWPRHBKQRYOJ-KZNAEPCWSA-N 452.646 2.331 30 10 JEEE C#CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)CC(=O)NC(C)(C)C 1539517224 KIBLANFXGOEPQS-UHFFFAOYSA-N 470.647 2.169 30 10 JEEE C#CCSCCn1c(Cc2ccccc2C)nnc1N1CCC(CNS(C)(=O)=O)CC1 1539519889 LSPMIRDMACFNHH-UHFFFAOYSA-N 461.657 2.309 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C(C)(C)C)C1 1539916823 OHRHUQWMICSBSR-ROUUACIJSA-N 469.652 2.465 30 10 JEEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCOCC2)c(F)c1)C1CC1 1540094332 FRAWEEQDHNJPDO-MRXNPFEDSA-N 478.594 2.067 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1[C@H]1C[C@@H]1C 1540129179 SLWLXOVAMGLEPV-VDGAXYAQSA-N 456.572 2.256 30 10 JEEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)c2ccco2)CC1 1540858328 QWJZKBICDVABRI-QGZVFWFLSA-N 472.546 2.328 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1540869498 OVTSZLWCNMWRJO-HDICACEKSA-N 467.574 2.254 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCN(C)C(=O)OC(C)(C)C)C1 1540892940 UNJMSFKWDCGCHY-MSOLQXFVSA-N 483.635 2.219 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCN2CCN(C(C)=O)CC2)C1 1540895024 JVHCZIWLNCIGHO-HSZRJFAPSA-N 482.629 2.419 30 10 JEEE CO[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1)C(C)(C)C 1554666259 BHICIWOKFPOFML-FQEVSTJZSA-N 490.630 2.262 30 10 JEEE COC[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)C1 1555361759 FLRZYDDMCXGYIH-IFMALSPDSA-N 465.602 2.232 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2cnccn2)n1CCN1CCN(C)C(C)(C)C1 1555544365 CJBYZCMFZUEBSO-UHFFFAOYSA-N 489.628 2.286 30 10 JEEE C=CCn1c(S)nc2cc(C(=O)NCc3ccc(CN4CC[C@H](O)C4)cc3)ccc2c1=O 1559013538 UORZXWGKFMLOAQ-IBGZPJMESA-N 450.564 2.368 30 10 JEEE CCN(C[C@H](C)C#N)S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 1561143739 BGMYAKRCTBWCHA-ZIAGYGMSSA-N 458.382 2.221 30 10 JEEE C=CC(C)(C)CCNC(=O)N1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)CC1 1565127427 QZWFFWAVYIRFQA-UHFFFAOYSA-N 457.618 2.017 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(Cc2ccc(F)cc2)CC1 1587639479 MAHNSIYSLSKVIA-PXNSSMCTSA-N 475.590 2.231 30 10 JEEE C#CCCCn1c(Cc2ccc(F)cc2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1587865041 GUVOFKZXEMJGKO-WMZHIEFXSA-N 452.578 2.410 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC(C)(C)COC)[C@H]1CCS(=O)(=O)C1 1588030353 SWRCJYKROAWJHM-FQEVSTJZSA-N 487.626 2.447 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(C(=O)N(C)C)CCCC1 1588200422 OZTFRHGHNSZERR-UHFFFAOYSA-N 471.569 2.032 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1nnc2n1CCCCC2 1588595637 XBPGFCKJMUVMOG-UHFFFAOYSA-N 450.503 2.306 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CCCn2ccnn2)CC1 1588769067 NXVMJWBSZFFMTG-UHFFFAOYSA-N 469.391 2.453 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCNC(=O)OC(C)(C)C)CC1 1588865653 ZXNJHDXXORUZMB-UHFFFAOYSA-N 479.585 2.399 30 10 JEEE C#CCSCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1589048211 YBKPCLXFBOMKJN-KRWDZBQOSA-N 472.640 2.273 30 10 JEEE C=CCN(CC=C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1NC(=O)CC1(C)C 1595185531 ZWAKWIJMZWPEIW-LJQANCHMSA-N 472.615 2.289 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 1595516507 DZHZGYOZEDTFMQ-SFHVURJKSA-N 465.558 2.470 30 10 JEEE C=CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@](C)(C(N)=O)C1 1595884787 SUZRMIXQZZOXQZ-OPAMFIHVSA-N 480.635 2.207 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@@H](c2nnc(N3CCO[C@@H](C#N)C3)n2CC2(C(N)=O)CCCC2)C1 1597461795 FXMSBGHLTXJWMK-MSOLQXFVSA-N 487.605 2.167 30 10 JEEE C[C@H]1CN(CCN(C)c2nnc(-c3cccc(C#N)c3)n2CC2([S@@](C)=O)CC2)C[C@@H](C)O1 1620319410 ARRBCHKGAICODN-HMJJTBFXSA-N 456.616 2.273 30 10 JEEE C#CCCN(CC(F)(F)F)S(=O)(=O)c1cc2c(cc1Br)n(C)c(=O)n2C 1622003252 CVTWEASWQZZTSI-UHFFFAOYSA-N 454.268 2.216 30 10 JEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(CC(=O)NCC(=O)OC)cc1 1625802010 MMXBXKQSYWGYTD-INIZCTEOSA-N 453.923 2.493 30 10 JEEE CC[C@H](C#N)Oc1cc(CNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)ccc1OC 1629005783 GMIWTKFLGWBUHL-MRXNPFEDSA-N 456.524 2.121 30 10 JEEE C#CCCN1CCC(NC(=O)C2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)CC1 1629895943 KOJXVPGATHKRSW-UHFFFAOYSA-N 455.983 2.484 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1cc(S(=O)(=O)N2CCN(CC)CC2)ccc1Cl 1635311564 YUUGAYMVVCSNGN-UZLBHIALSA-N 456.008 2.377 30 10 JEEE C#CCONC(=O)c1ccc(OC)c(S(=O)(=O)Nc2cc(Cl)c(OC)cc2OC)c1 1651059131 QQZGGUKPMJXTSA-UHFFFAOYSA-N 454.888 2.461 30 10 JEEE C#Cc1cccc(CNC(=O)N2CCCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)c1 1681996115 QPYGPSSOMBQDPB-UHFFFAOYSA-N 455.536 2.045 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1CN1CCCCC1 1689826002 GRSCLPJOPNGOFW-OALUTQOASA-N 458.632 2.380 30 10 JEEE C#CCCCCn1c(-c2cc(Br)cn2C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1689878769 UOBOMDYQCPJHQT-QGZVFWFLSA-N 488.390 2.322 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccccn2)n1CCN1CCCS1(=O)=O 1690091334 PTDIXDVATUPVTC-UHFFFAOYSA-N 468.558 2.078 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2Cc2ccc(C(N)=O)nc2)CC1 1690111657 HCXKIRHYIFQDKG-FQEVSTJZSA-N 473.581 2.332 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2CCc2nccnc2C)CC1 1690148576 LLDBWVSBMYBHFO-UHFFFAOYSA-N 473.581 2.184 30 10 JEEE C#CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H]1CCOC1 1690174685 ICBCACZJUVTXLS-SJORKVTESA-N 451.593 2.178 30 10 JEEE C=C(Br)Cn1c(-c2cnccn2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1690225989 SKYRYCSSJDPTRA-BEFAXECRSA-N 489.422 2.023 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](NC(=O)CC)C1 1690236044 HQWNTBAGCOQYTR-WFXMLNOXSA-N 467.574 2.402 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC2(CC1)CNC(=O)C2 1690660969 RRWIEAHHTUPGHJ-INIZCTEOSA-N 472.977 2.480 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(C(=O)N(C)C)c2)C1 1690684494 GSIJTLJWXSFJPP-FQEVSTJZSA-N 452.559 2.046 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1690723284 MMPYKVDEXJJSGS-HNNXBMFYSA-N 463.526 2.041 30 10 JEEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1690732304 YWZMQJMOWWGTSJ-UHFFFAOYSA-N 472.663 2.106 30 10 JEEE C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC(=O)N(C)C 1692818539 ALJLGKRLYORUSB-IAGOWNOFSA-N 493.547 2.022 30 10 JEEE CCCC(=O)NC[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC2CC2)C1 1695030410 CACUALHXRSLOOC-HXUWFJFHSA-N 463.586 2.476 30 10 JEEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1Cc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1705568299 KHENJUGYANYXBG-GOSISDBHSA-N 487.582 2.084 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCS(=O)(=O)CC2CC2)CC1 1705636632 RMJZFLMGGJFEJD-UHFFFAOYSA-N 478.018 2.187 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C2CCN(c3ncccn3)CC2)n1CCS(=O)(=O)CC=C 1705675079 WWZCXXVEAGRSLT-HSZRJFAPSA-N 469.615 2.045 30 10 JEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(N3CCOC3=O)cc2)CC1 1705763043 NRROJFZQDKYXLG-INIZCTEOSA-N 460.560 2.050 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1705936179 LEBDHTAUJHEZFZ-IAGOWNOFSA-N 469.608 2.224 30 10 JEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(=O)CC2CCCC2)CC1 1722332451 LGUXSXPJBCGLKF-FQEVSTJZSA-N 461.632 2.213 30 10 JEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)CC2CCCCC2)CC1 1722333332 VMVLXYJROBTWJR-HXUWFJFHSA-N 461.632 2.213 30 10 JEEE C#CCCCn1c(N2CCN3C(=O)N(CC(C)C)C[C@@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1722340527 BGSYLAOGWXVYDN-GBXCKJPGSA-N 458.607 2.314 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CCOCC)[C@H](CC)C1 1722508927 UVQJERMJDFSSJS-JBPLPALLSA-N 460.623 2.148 30 10 JEEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1722542678 FXYAXFOXDSJWGD-LSDHHAIUSA-N 477.031 2.334 30 10 JEEE C=CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCS(=O)(=O)N1CCSCC1)C1CC1 1722645225 FHAIFOPGTUKAAW-UHFFFAOYSA-N 478.600 2.387 30 10 JEEE C=CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CC1(S(C)(=O)=O)CCC1 1722680166 ZTEWCHSLOIKBMK-UHFFFAOYSA-N 472.571 2.200 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccccc2CN2CCC(O)CC2)C1 1722709598 TWWKACLQKLQJRG-QHCPKHFHSA-N 482.629 2.203 30 10 JEEE C=CCSCCn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1722741037 YSPPHRDRLCXESZ-ZWKOTPCHSA-N 455.650 2.443 30 10 JEEE CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@@H](C)N2CCCCC2)CCO1 1722841066 BGKHHFNAKHMLLG-XXBNENTESA-N 465.602 2.423 30 10 JEEE COc1ncccc1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1730343011 DFCRNMRTMXIVMK-UHFFFAOYSA-N 478.532 2.206 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@]1(N(C)C)CCSC1 1740537233 BSKUPAPVHKRLBQ-OPAMFIHVSA-N 475.688 2.442 30 10 JEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cccc(C(=O)N(C)C)c1 1740610475 BWYBYFIQWVMLCN-FQEVSTJZSA-N 482.585 2.406 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1740615340 BHBWMABYGLCHSY-SJORKVTESA-N 467.636 2.458 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H]1CCCCN1CCCC)[C@H]1CCS(=O)(=O)C1 1740622367 BXFPKYMMQMTVPK-PMACEKPBSA-N 471.631 2.016 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1cnn(CC(C)C)c1C)[C@H]1CCS(=O)(=O)C1 1740622512 ZABPVCNVPFFFBT-NRFANRHFSA-N 467.599 2.176 30 10 JEEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1Cc1ccc(F)cn1)[C@H]1CCS(=O)(=O)C1 1740628307 PHFAFRUFBVURCM-IBGZPJMESA-N 485.541 2.075 30 10 JEEE C#CCN1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCCOCCC(C)C)CC1 1740695184 IAYACGRBKNCWNE-UHFFFAOYSA-N 477.613 2.400 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@](C)(O)c2ccsc2)CC1 1740699555 LHHBQRAJOFMDDV-XMMPIXPASA-N 462.579 2.453 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2cc(F)cc(OC)c2)CC1 1740703641 ZKLCHBOFAITKSC-SANMLTNESA-N 499.587 2.481 30 10 JEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 1740719451 FUTIOXBTGKXINS-UHFFFAOYSA-N 472.659 2.242 30 10 JEEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1740786772 OBMWDRHMRCNFIR-UHFFFAOYSA-N 450.584 2.314 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1740794490 BRDDLRNOPUULTL-HXUWFJFHSA-N 455.559 2.433 30 10 JEEE C=CC1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2CC(=O)N(CCOC)C2)CC1 1740835329 LDBGQQKWVMDQCF-IBGZPJMESA-N 487.626 2.246 30 10 JEEE C=CC[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1)c1ccccc1 1740855327 UURLSNBDLDVFBZ-NHCUHLMSSA-N 486.642 2.392 30 10 JEEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(c2nccc(OCC)n2)CC1 1740861820 AKUAAYHMSOVRBF-SFHVURJKSA-N 454.579 2.491 30 10 JEEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1740865796 VTCMKYLSBHNEAK-PMACEKPBSA-N 451.637 2.085 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCCO1 1740937636 KZCUFGAPDWKMCD-UXHICEINSA-N 479.603 2.008 30 10 JEEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCCN(Cc2ccc(OC)cc2)C(=O)C1 1740961064 KFWKSEDKKCUDJW-UHFFFAOYSA-N 468.602 2.416 30 10 JEEE CCN(CC)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCN(C)C2)CC1 1746128208 HOJBXUQXNZVWOM-RUZDIDTESA-N 467.618 2.106 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2CCCc2nc(C)no2)CC1 1749016781 OIERGQYCBIVUMZ-UHFFFAOYSA-N 465.533 2.298 30 10 JEEE C=C(C)COCCn1c(N2CCC(C(=O)N3CCCC3)CC2)nnc1[C@@]1(OCC)CCOC1 1749238925 DSPZJLMJXNGOPY-XMMPIXPASA-N 461.607 2.362 30 10 JEEE C=CCN(c1nnc(-c2ccc(OC)c(Br)c2)n1CCNS(C)(=O)=O)C1CC1 1749511603 MAFYLAVJHGFUEQ-UHFFFAOYSA-N 470.393 2.420 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCS(=O)(=O)CC)C1 1749694462 SCSQENIHFVBCPH-LJQANCHMSA-N 461.588 2.363 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCCN(C(C)C)CC1 1749735739 VTUXLVASEJXICL-NRFANRHFSA-N 475.615 2.312 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N(C)[C@@H]1CCCN(c2ccccc2)C1 1749736022 YGCHANIHFTYSDK-PZJWPPBQSA-N 459.616 2.488 30 10 JEEE N#C[C@H]1CN(c2nnc(-c3ccc(F)cc3Br)n2CC2CCS(=O)(=O)CC2)CCO1 1750385769 ABDCHLBOFZZEMJ-HNNXBMFYSA-N 498.378 2.400 30 10 JEEE CC(C)(Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](C#N)C1)c1ccccn1 1750528884 GUEZBQWWTJWYBU-INIZCTEOSA-N 451.556 2.371 30 10 JEEE C[C@H](CC#N)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@]1(O)CCC[C@H]1C 1751091342 HIHVUUVFLKSGHU-DRSNIGMVSA-N 460.604 2.485 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@]1(O)CCSC1 1760111932 XEWSZKIFGKRRAW-MWTRTKDXSA-N 452.584 2.391 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H](OC)c1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 1760189143 OAZRUKPJSVTXCU-UYAOXDASSA-N 486.985 2.403 30 10 JEEE C#CCN(c1nnc(COc2ccc(Br)cc2)n1C[C@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1760191264 DOQKYDAMTFPRRB-DOTOQJQBSA-N 497.415 2.281 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1Cc1ccc(C)nc1)[C@@H]1CCS(=O)(=O)C1 1760192409 UHMBSZBNCUWXCQ-OAQYLSRUSA-N 476.562 2.107 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCn2ccnc2C)CC1 1760259965 SXDIBLMYXIGHJY-OAQYLSRUSA-N 482.633 2.353 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2CCCO[C@H]2CCOC2)CC1 1760267965 IHNPPIUZYZINGH-FQEVSTJZSA-N 467.570 2.115 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1760517480 NQPITYVSJBUJDJ-OBWXTZQISA-N 471.558 2.037 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(F)cc2Br)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1760518157 KMJCOBGPSZOMEC-HNNXBMFYSA-N 493.381 2.454 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 1760525726 OQQJISHQSFABDH-MRXNPFEDSA-N 457.560 2.317 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1760527008 XCUOUZDKYLQTNQ-UHFFFAOYSA-N 491.596 2.260 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC2([S@@](C)=O)CCC2)C1 1760549841 NSFCKCWBULJFNP-AZYRPFHASA-N 463.629 2.352 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 1760555719 LJMFSTQVNSVDLG-KRWDZBQOSA-N 483.635 2.266 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCC[C@@](C)(C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1760558247 JZEKAQBVOGWSLZ-SFTDATJTSA-N 451.593 2.050 30 10 JEEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 1760568104 YAGDJRIDRHOYMN-UHFFFAOYSA-N 460.564 2.266 30 10 JEEE CCNC(=O)C1(Cn2c(-c3cccc(C#N)c3)nnc2N2C[C@@H](COC)O[C@H](C)C2)CCC1 1765608795 FKRLSRIZJKUBAA-XLIONFOSSA-N 452.559 2.363 30 10 JEEE CCCNC(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1766214566 DULMJRCXZYFIEE-UHFFFAOYSA-N 492.628 2.014 30 10 JEEE CN1CCCC(C)(C)[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C(N)=O)C1 1769064913 GPXSVFSTXATHNR-AZUAARDMSA-N 451.575 2.161 30 10 JEEE NS(=O)(=O)c1ccc(CCNC(=O)C(=O)/C=C/c2ccc(F)c(Br)c2)cc1 1860733208 TXFGZULABIYDHS-XBXARRHUSA-N 455.305 2.177 30 10 JEEE C=CCN(CC=C)C(=O)[C@H]1CCCN1C(=O)[C@@H]1CC(=O)N(CCc2ccc(OC)c(OC)c2)C1 1862163062 YARYBBWGUANBBU-NHCUHLMSSA-N 469.582 2.286 30 10 JEEE C=CCOc1ccccc1[C@H]1C(C(=O)NCCNC(C)=O)=C(N)Oc2c1c(C)nn2-c1ccccn1 1864319254 QCAUAVZXYGSYPX-JOCHJYFZSA-N 488.548 2.087 30 10 JEEE C=CCN(CC=C)C(=O)CNC(=O)c1cc(-c2ccc(Cl)cc2)n([C@H]2CCS(=O)(=O)C2)n1 1868622867 YSJKILOVNNNIAW-SFHVURJKSA-N 476.986 2.494 30 10 JEEE C=CCn1cc(OCC(=O)Nc2ccccc2C(=O)OCC)c(=O)cc1CN(CC)CCO 1870391578 TZFMIAXNRARKMD-UHFFFAOYSA-N 457.527 2.043 30 10 JEEE C=CCn1cc(OCC(=O)Nc2ccc(Cl)cc2C)c(=O)cc1CN1CCN(CCO)CC1 1870712808 FOQAXCGOZLYSCO-UHFFFAOYSA-N 474.989 2.124 30 10 JEEE C=CCn1c(C(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)cc2c(N3CCN(CC)CC3)ncnc21 1873668264 NLTCGKKGPGNQMI-UHFFFAOYSA-N 473.537 2.237 30 10 JEEE COc1cccc(/C=N/n2c(SCCO)nnc2[C@H]2CC(=O)N(Cc3ccccc3)C2)c1O 1874208532 HVSWDXOMSQGPNN-VQXFCIMOSA-N 467.551 2.475 30 10 JEEE COc1ccc(/C=N/n2c(CNC(C)=O)nnc2SCC(=O)N[C@@H](C)c2ccccc2)cc1O 1874435922 DPWKHDJBPRPLSH-FCUAXUHVSA-N 482.566 2.480 30 10 JEEE Cc1cccn2cc(CC(=O)N3CCC(OCC#CCN4CCN(C(C)C)CC4)CC3)nc12 1889447615 VFMGTRHKTMGBJQ-UHFFFAOYSA-N 451.615 2.222 30 10 JEEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H](COc2cc(C#N)ccn2)C1 1892001478 RDIOHIDWYPTHCZ-RTBURBONSA-N 473.555 2.029 30 10 JEEE CC1(C)OB(C2=CCC[C@@H]2NS(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)OC1(C)C 1991332877 RXZVAPCUUCPBOF-SFHVURJKSA-N 460.361 2.312 30 10 JEEE C#CCOCCOCC[S@@](=O)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 2019046336 RSFIJJPAMXLPLK-OHWKKVTOSA-N 485.558 2.393 30 10 JEEE COCC1(C(=O)NCc2cccc(B3OC(C)(C)C(C)(C)O3)c2)CN(C(=O)OC(C)(C)C)C1 2180985627 RQYHKMPGLWCKCX-UHFFFAOYSA-N 460.380 2.486 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N1C[C@@H]2CN(C(=O)OC(C)(C)C)[C@@H](CO)[C@H]2C1 2227292525 BTJCJVHPUSIWEG-XDNAFOTISA-N 466.579 2.260 30 10 JEEE CC1(C)OB(c2csnc2C(=O)N[C@H]2CCOC[C@@H]2NC(=O)OCc2ccccc2)OC1(C)C 2255540854 STYDMVIIQFZPDL-ROUUACIJSA-N 487.387 2.256 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@H](C)NC(=O)OC(C)(C)C 2255743446 GBMPLIFOZYUMMT-HNNXBMFYSA-N 454.398 2.486 30 10 JEEE CC(C)(C)OC(=O)NC1CC(NS(=O)(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2255752677 LFJKJHAZUDMUHY-UHFFFAOYSA-N 452.382 2.320 30 10 JEEE Cc1csc(CNC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)O)c1B1OC(C)(C)C(C)(C)O1 2256619899 BUPMNKCDDSAJKV-CJNGLKHVSA-N 454.398 2.246 30 10 JEEE CC(C)(C)OC(=O)NC1[C@@H]2CN(S(=O)(=O)c3cccc(B4OC(C)(C)C(C)(C)O4)c3)C[C@@H]12 2267372663 RQMMZRQEPUPFFV-IAGOWNOFSA-N 464.393 2.129 30 10 JEEE CC(C)(C)OC(=O)NCC1CN(S(=O)(=O)Cc2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2267474633 YFYFPEYUWIXDKU-UHFFFAOYSA-N 466.409 2.272 30 10 JEEE Cc1cc(C(=O)N2C[C@@H](O)C[C@H](NC(=O)OC(C)(C)C)C2)sc1B1OC(C)(C)C(C)(C)O1 2267605583 WDCILOCIKQXACH-GJZGRUSLSA-N 466.409 2.456 30 10 JEEE COc1ccc(NC(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2268646054 RZXNCIXRFWJHLZ-CQSZACIVSA-N 450.341 2.209 30 10 JEEE Cn1cc(NC(=O)OC(C)(C)C)c(C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)n1 2268651594 PJACREFEHZCKEF-UHFFFAOYSA-N 463.369 2.453 30 10 JEEE C[C@H]1OCCN(C(=O)OC(C)(C)C)[C@@H]1C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2268654949 GFEVJPVIWYXJKI-CJNGLKHVSA-N 467.397 2.083 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@H]2[C@@H](C(=O)NCc3cc(B4OC(C)(C)C(C)(C)O4)cs3)[C@@H]21 2268707420 SKOAZUMXNCMFEJ-YESZJQIVSA-N 464.393 2.298 30 10 JEEE N#Cc1ccc(NS(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)cc1Br 2270536560 CEIHAULVFWBQLQ-MRXNPFEDSA-N 482.312 2.442 30 10 JEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](COc2cccc(B3OC(C)(C)C(C)(C)O3)n2)[C@H]1OC 2281465625 QBDNVFFMQOKAEF-GPMSIDNRSA-N 464.368 2.409 30 10 JEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CCO[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2281794938 AZBWHCJMTHFPIN-IRXDYDNUSA-N 462.352 2.348 30 10 JEEE Cn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@H]2N(C(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)n1 2281967012 MOMGBGBGXXLGHX-DJIMGWMZSA-N 460.384 2.237 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1[C@@H](C)CN(C(=O)OC(C)(C)C)C[C@H]1C 2282003901 FVYHJXVIFKTHFQ-GASCZTMLSA-N 462.400 2.498 30 10 JEEE CC(C)(C)OC(=O)N1[C@H](CNC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)C[C@@H]2OCC[C@@H]21 2282027683 TXODMHBDQMIDQL-KKUMJFAQSA-N 479.408 2.339 30 10 JEEE CC[C@@H](CN(CC)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C)NC(=O)OC(C)(C)C 2282352391 OATAFZYOVVFGJC-HNNXBMFYSA-N 486.444 2.033 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CNS(=O)(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)cc3)[C@@H]2C1 2282354132 MUFDEQUKZHSIGP-LDLYASANSA-N 478.420 2.377 30 10 JEEE Cc1sc(C)c(S(=O)(=O)N2CC[C@](C)(NC(=O)C(F)(F)F)C2)c1B1OC(C)(C)C(C)(C)O1 2282496207 XCCNGEGQIUSYQU-SFHVURJKSA-N 496.382 2.496 30 10 JEEE CC(C)(C)OC(=O)NC[C@]12CN(C(=O)c3ncsc3B3OC(C)(C)C(C)(C)O3)C[C@@H]1CCO2 2282522981 RWKILZQSSNIAMR-FPTDNZKUSA-N 479.408 2.198 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@]12CCCN(C(=O)OC(C)(C)C)C[C@@H]1C2 2282536179 YZOGDYLVRYKIFM-NPMXOYFQSA-N 460.384 2.239 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCCO[C@@H]2[C@H]1NC(=O)c1occc1B1OC(C)(C)C(C)(C)O1 2282541468 YNUVWAXRHWJGMJ-ORQFMDKSSA-N 462.352 2.379 30 10 JEEE CC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nn(C)c1C 2282591773 UQMHBRUVVHAZKQ-INIZCTEOSA-N 462.400 2.499 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CC[C@H](NS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CC1 2282831462 KUMNPOUJOOXAJL-QAQDUYKDSA-N 481.424 2.495 30 10 JEEE Cc1nc(NC(=O)C2(NC(=O)OC(C)(C)C)CCOCC2)ncc1B1OC(C)(C)C(C)(C)O1 2283946504 OIGRMEACCRWVQN-UHFFFAOYSA-N 462.356 2.097 30 10 JEEE C[C@H]1OCCN(C(=O)OC(C)(C)C)[C@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2283956242 JKFSOQNCXZZZQE-CZUORRHYSA-N 465.331 2.483 30 10 JEEE CC(C)(C)OC(=O)NC[C@H](C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1)[C@@H]1CCOC1 2284036492 BONLUOLHQASFNF-ZBFHGGJFSA-N 481.424 2.236 30 10 JEEE COc1ccc(C(=O)N[C@H](COCc2ccccc2)C(=O)O)c(B2OC(C)(C)C(C)(C)O2)c1 2284465658 RQPLHCDCIUTQET-HXUWFJFHSA-N 455.316 2.394 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)NC[C@H]1C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C1 2310243649 CKBINWYDCCXHQG-QBPKDAKJSA-N 454.568 2.354 30 10 JEEE CC(C)N1C[C@@H](c2nnc(SCC(N)=O)n2N=Cc2ccc(Br)cc2)CC1=O 2329013419 LSXIBWYJWZZPLA-ZDUSSCGKSA-N 465.377 2.225 30 10 JEEE COc1cc(C=Nn2c(CNC(C)=O)nnc2SCCCO)ccc1OC(=O)c1ccccc1 2330799239 QOQZTUDQHJAGKX-UHFFFAOYSA-N 483.550 2.499 30 10 JEEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@H](CCO)COCc3ccccc3)cc2)OC1(C)C 2343584102 MQHHYBKFJYCIBX-HXUWFJFHSA-N 461.389 2.232 30 10 JEEE Cn1cc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H]3CC[C@H]23)c(B2OC(C)(C)C(C)(C)O2)n1 2359266232 KXCNXICYJLASMA-HYVNUMGLSA-N 460.384 2.237 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@H]1CN(C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)C2 2359323500 XAMDMBLBNLWBIK-BZUAXINKSA-N 458.368 2.151 30 10 JEEE COc1nc(N(C)C[C@]2(O)CCN(Cc3ccccc3)C2)ccc1B1OC(C)(C)C(C)(C)O1 2365351558 ZQZOIMSEFHUSKP-RUZDIDTESA-N 453.392 2.463 30 10 JEEE C=CCNC(=O)Cn1c(=O)/c(=C\c2ccccn2)s/c1=C/C(=O)c1ccc(C(C)(C)C)cc1 39996411 ZBNVRVUZDDWDRP-JJOJRSAGSA-N 461.587 2.397 30 10 JEEE C#CCOc1ccc(C(=O)N[C@H]2CN(C(=O)Nc3ccccc3C(=O)OC)CCC[C@@H]2O)cc1 215028039 IDEXECZKYHHZTN-VXKWHMMOSA-N 465.506 2.272 30 10 JEEE CN1CCN(c2nc(NN=Cc3cccc([N+](=O)[O-])c3O)nc(Nc3ccc([N+](=O)[O-])cc3)n2)CC1 254288034 RFLVMAMRMWKZOI-UHFFFAOYSA-N 494.472 2.335 30 10 JEEE CCOc1ccc(/C=C/C(=O)[C@H]2C[C@H](NC(=O)CN3C(=O)c4ccccc4C3=O)CCN2)cc1 585824525 SQDOYNVERGJHRM-SVGUECOSSA-N 461.518 2.201 30 10 JEEE N#Cc1c(NC(=O)C[S@@](=O)CC(=O)Nc2nnc([C@@H]3CCCO3)s2)sc2c1CCC2 586298220 JCRMTXYBOIKPLG-IDPPAEMMSA-N 465.582 2.137 30 10 JEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(C)n(CC)c2C)c(=O)n1-c1ccccc1C#N 728557955 WAUBVILXRJEFNI-UHFFFAOYSA-N 457.559 2.014 30 10 JEEE O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCS/C1=N/CCc1ccccc1 827968336 CUUCWQCTWHOMNR-GHVJWSGMSA-N 459.593 2.495 30 10 JEEE CCN(CC)C(=O)CSc1nnc(S[C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)n1N 856436289 HNVHDFYJUSUPEG-RDYUPDBUSA-N 467.665 2.364 30 10 JEEE C=CCNC(=O)c1ccccc1NC(=O)CS(=O)(=O)CC(=O)Nc1cccc(Br)c1 915831148 BSMZTELIKFMANT-UHFFFAOYSA-N 494.367 2.357 30 10 JEEE CC(C)(C)CC(=O)NCC(=O)[C@@H](C#N)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 920110229 CICPJYSKCAGEEK-GOSISDBHSA-N 462.572 2.061 30 10 JEEE CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)c1ccc(Oc2ccc(C#N)cc2C)cc1 1124439525 DILGDGDQCABODX-LJQANCHMSA-N 455.536 2.424 30 10 JEEE C#CCN(C(=O)C1=CN(C)S(=O)(=O)N=C1C)[C@@H]1CCOc2ccc(Br)cc21 1136805163 VJRYBMXOICXWOZ-MRXNPFEDSA-N 452.330 2.270 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(Cl)c(OCC)c(OC)c1 1286276767 YUOUHFMBDOEXTG-KGLIPLIRSA-N 469.995 2.455 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CCOc1ccccc1C)[C@H]1CCS(=O)(=O)C1 1286394005 SVHPRHLEWLBFJU-NRFANRHFSA-N 465.579 2.278 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2CCS(=O)(=O)C(C)(C)C)CC1 1286489441 SLGJUXRSNFZIFV-UHFFFAOYSA-N 487.626 2.133 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCc2cc(F)cc(F)c2C1 1286814499 SYHUYGSODPVFGL-UHFFFAOYSA-N 488.520 2.367 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCO[C@H](Cc2ccccc2)C1 1286821869 CLJKIIAFRGNNEO-JOCHJYFZSA-N 467.595 2.313 30 10 JEEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1286823694 PUSJVJGXIMQBLN-IBGZPJMESA-N 470.647 2.061 30 10 JEEE C[C@H]1C[C@@H](C)CN(CCCn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@H](C#N)C2)C1 1291014670 GQVYCCBDJRYFNO-CEXWTWQISA-N 471.631 2.366 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1Cc1cccc2c1OCCCO2)[C@H]1CCS(=O)(=O)C1 1300496859 VMZQEUOBJUIUPS-IBGZPJMESA-N 458.584 2.313 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1C[C@@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C 1300649156 LJIZPWJXUYGOPO-ZWKOTPCHSA-N 462.595 2.148 30 10 JEEE C#CCN(CCOC)c1nnc(Cc2c(F)cccc2F)n1C[C@H]1CCCS(=O)(=O)C1 1300673327 IJSJYACJDYAMQX-MRXNPFEDSA-N 452.527 2.058 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2C[C@@](C)(O)c2ccco2)CC1 1300718988 KGDQWESXFJUCEU-RUZDIDTESA-N 463.538 2.420 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2Cc2cc(F)cc(OC)c2)CC1 1300726307 KFZRIZFOIMKDKQ-UHFFFAOYSA-N 462.529 2.426 30 10 JEEE C=C(Br)Cn1c(N2CC[C@@H]3NC(=O)OC[C@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1300863254 MJPQQCZUCXTKOS-VCBZYWHSSA-N 470.368 2.162 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CCCC(=O)NC 1300882497 VEGLEEVFFYEUCO-VGOFRKELSA-N 479.585 2.136 30 10 JEEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC([C@H]2CCCO2)CC1 1301187791 BXWBMLHDVKLBKD-WOJBJXKFSA-N 467.636 2.363 30 10 JEEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 1301222634 BPNCVPLWLBQLLO-NHCUHLMSSA-N 459.616 2.002 30 10 JEEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 1301229304 NQCGNKQKIDGTLV-UHFFFAOYSA-N 451.575 2.127 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@@]2(CCOC2)C1 1301593934 YBIKHLGEKHNJLL-NRFANRHFSA-N 482.990 2.107 30 10 JEEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@](C)(O)c2cc(C)oc2C)CC1=O 1301890134 HUAYEHJNCJCDOQ-RUZDIDTESA-N 478.553 2.229 30 10 JEEE C[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1)N(C)C 1303735636 BZWNPMSPAAJDIT-WBVHZDCISA-N 479.507 2.184 30 10 JEEE C#CCCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1358907428 OWIRKXORSKTYDR-HNNXBMFYSA-N 461.353 2.202 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@]1(O)CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1358962439 PQFHCFNIRUHNQA-SPEDKVCISA-N 450.605 2.088 30 10 JEEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1358966369 NKMZMURSHIPUQK-KURKYZTESA-N 475.640 2.333 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@]1(C)CN(C)C1=O 1358991933 UNLNLGTXCCXZRW-AREMUKBSSA-N 471.565 2.177 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCN(C)CCOC 1359069244 GFJILQBPFKGYMD-RUZDIDTESA-N 463.586 2.152 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccc2C)nnc1N1CCO[C@@H](CNC(C)=O)C1 1359100494 CIPAPMGCEVHYIF-FIXSFTCYSA-N 453.587 2.500 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2ccc(Cl)cc2)C1 1359121821 KKQMQQXFNOCUAX-OALUTQOASA-N 482.006 2.418 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)OC)CC1)C(C)C 1359264657 LLWCOFUDMWEYCM-FQEVSTJZSA-N 473.622 2.101 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N(C)C[C@@H](c1cccs1)N1CCOCC1 1359300327 ZGFCIZGIRQYAEY-OALUTQOASA-N 474.631 2.393 30 10 JEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1359302513 JRWIGPACISOMQZ-CYBMUJFWSA-N 457.526 2.009 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1359331739 HDABVVZTTNGWAX-UHFFFAOYSA-N 454.600 2.340 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCc2ccc(F)cc2C1 1359336531 SYCHRZIVABJYOE-PXNSSMCTSA-N 464.563 2.305 30 10 JEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(c3nnc(C(F)(F)F)s3)CC2)c1 1447901782 KSXWORMBMFSJFO-UHFFFAOYSA-N 458.487 2.316 30 10 JEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CC[S@](=O)C(C)(C)CC3)nnc12 1457807518 SXTXGFDBQFVRDY-HKBQPEDESA-N 459.597 2.082 30 10 JEEE C#Cc1ccc(S(=O)(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)cc1 1462893300 KJELCQGMJPSAPL-UHFFFAOYSA-N 451.527 2.402 30 10 JEEE C=C(Cl)C[C@H](NS(=O)(=O)c1cc(C(N)=O)c(F)cc1Br)C(=O)OCC 1464258196 PSICJQANLDZQRV-NSHDSACASA-N 457.705 2.040 30 10 JEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCCC[C@@H]1CNC(=O)c1ccccc1 1465597759 ATRFXDGLYHSAPP-YLJYHZDGSA-N 454.552 2.036 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H](C)N1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1507629951 RONRQHKTHVLWFF-IRFCIJBXSA-N 456.616 2.087 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2CCCNC(=O)c2occc2C)CC1 1507724243 ADJBYOABDXUMCX-UHFFFAOYSA-N 462.554 2.430 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1507916505 ROYYIVHPNVWUAU-SJORKVTESA-N 453.609 2.497 30 10 JEEE C=CCCCn1c(N2CCN3C(=O)N(CC)C(=O)[C@@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1507954507 VSKUVLYQDJVWJB-KSZLIROESA-N 487.605 2.488 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1ccccc1Cl)N(C)C 1507981354 KDBCLBHOOVATQY-MOPGFXCFSA-N 483.038 2.190 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(C(=O)OC)CC2)cc1 1508099994 AVAGMESMHIPCNT-LJQANCHMSA-N 474.583 2.183 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cccc(CN(C)C)c2)C1 1508122119 CITOZMMNONBKTI-NHCUHLMSSA-N 459.616 2.071 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@H](N2CCCC2=O)C1 1508132318 WXQXMUJQKAZUDH-ROUUACIJSA-N 491.589 2.359 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCC(CN2C[C@H](C)O[C@H](C)C2)CC1 1508143350 KWXFQWDTQBFQFO-KDURUIRLSA-N 465.664 2.157 30 10 JEEE CCCn1nc(-c2nnc(N(C)C[C@@H](C)C#N)n2C[C@]2(OC)CCOC2)c2ccccc2c1=O 1514983454 FNPHRTPEWFLMEU-BXKMTCNYSA-N 465.558 2.466 30 10 JEEE CCOC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(CS(C)(=O)=O)CC2)C1 1516056689 FJDVAEJHBOCNSM-LJQANCHMSA-N 486.598 2.356 30 10 JEEE CN(CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(C#N)CC1)CC(F)(F)F 1517310862 DHTQLMAOJIURTK-UHFFFAOYSA-N 499.563 2.429 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C(=O)N2CCCCC2)cc1 1539015712 QZZUZBNVUADTHG-RXVVDRJESA-N 469.611 2.313 30 10 JEEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(CCN2[C@@H](C)CC[C@@H]2C)CC1 1539078589 AIZUTDHQERBQEU-VXKWHMMOSA-N 455.651 2.199 30 10 JEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1539101859 KUOOWKQQAPUNQE-LJQANCHMSA-N 455.584 2.353 30 10 JEEE C#CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(CC(C)C)C(=O)C1 1539116747 RBDVEXNXLPHZQX-UHFFFAOYSA-N 461.570 2.393 30 10 JEEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1539153882 BXZRCRMWZPLPSL-INIZCTEOSA-N 476.606 2.464 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@H]1OCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1539213366 YIQFKKLUUKFYIM-DYESRHJHSA-N 488.610 2.404 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ccccc1OC(C)C)[C@H]1CCS(=O)(=O)C1 1539216514 TXMDZKJZNBBTHQ-IBGZPJMESA-N 466.567 2.197 30 10 JEEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1539526367 NUYUWANRWQBVQB-JTSKRJEESA-N 475.640 2.410 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc(OC)c(OC)c1 1539538385 GUKFKDPXMMPSAF-OPAMFIHVSA-N 461.588 2.140 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](C#N)C1 1539629624 BBOSJUCLTXFGDG-WTGUMLROSA-N 488.589 2.296 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1cccc(F)c1)N(C)C 1539669853 VKUGGNATDCDJGU-SFTDATJTSA-N 494.637 2.455 30 10 JEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCN2CCCCCC2=O)CC1 1539873842 FGECRPTWKRFARB-QGZVFWFLSA-N 452.625 2.083 30 10 JEEE C=CCCCCn1c(N2CCN(C(=O)[C@H]3CCCN3C)CC2)nnc1[C@]1(OC(C)C)CCOC1 1539975227 PBRORVXVTHUODL-BWKNWUBXSA-N 474.650 2.418 30 10 JEEE C=CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1540854341 YZKWSWKVFPXAFV-QGZVFWFLSA-N 459.620 2.475 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3ncccn3)CC2)cc1 1540876858 DDUNJFCCXCMNJI-UHFFFAOYSA-N 462.558 2.146 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCCO[C@H](C)C1 1540900135 MBCCFDJOVGAZEM-MRXNPFEDSA-N 450.561 2.178 30 10 JEEE Cc1noc(C)c1[C@@H](C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1543370188 HCGLCEIXDOWDJC-INIZCTEOSA-N 477.573 2.418 30 10 JEEE C[C@@H]1C[C@@H](CCn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCO[C@@H](C#N)C2)CCO1 1543624141 HZAASVCMEJPHOF-AOIWGVFYSA-N 459.572 2.283 30 10 JEEE COCC1(Cn2c(CNC(=O)c3cccs3)nnc2N2CC[C@](F)(C#N)C2)CCOCC1 1555304433 CHVSIOHFNBYVFM-NRFANRHFSA-N 462.551 2.155 30 10 JEEE C#CCN(CC(=O)NCCN1C(=O)S/C(=C/c2ccc(OCC)cc2)C1=O)C1CSC1 1559986393 RKMPTKNCFMBVIP-XDHOZWIPSA-N 459.593 2.288 30 10 JEEE C[S@](=O)C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)c1ccccc1 1565736016 CLYBULPBWYGIRJ-DFXYEROKSA-N 459.593 2.195 30 10 JEEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](NC(=O)CC)C1 1587860979 DODUTXKRFXVLPP-OALUTQOASA-N 474.606 2.495 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1CC1(C)COC1)[C@H]1CCS(=O)(=O)C1 1588034514 HOUKJVWFBWPWEZ-INIZCTEOSA-N 466.510 2.210 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1CC1(N(C)C)CCCC1)[C@H]1CCS(=O)(=O)C1 1588045848 RPNHBNRVJBBRNF-IBGZPJMESA-N 471.627 2.455 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1Cc1cccnc1OCC(F)F)[C@H]1CCS(=O)(=O)C1 1588059476 OSFZMWPOXGLYHC-KRWDZBQOSA-N 467.542 2.191 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@H]1CCSC1(C)C)[C@H]1CCS(=O)(=O)C1 1588064301 FWFXDIWIPMEGMI-MOPGFXCFSA-N 459.641 2.422 30 10 JEEE C#CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC(=C)C)[C@H]1CCS(=O)(=O)C1 1588074749 QUEYRZGMCMAYPU-KSZLIROESA-N 463.604 2.252 30 10 JEEE C#CCC1(O)CCN(C(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Br)CC1 1588766487 XGVTUGJWOFBXHY-UHFFFAOYSA-N 455.374 2.224 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2C[C@@H](F)COC)CC1 1588899047 LCYAVMSFOLFNMB-LJQANCHMSA-N 465.533 2.286 30 10 JEEE C#CCSCCn1c(N2CCN(C(=O)c3ccccn3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1589125658 NHQQOXMRSPYWRT-DEOSSOPVSA-N 484.626 2.043 30 10 JEEE C=C(Br)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1589317690 SVJUKRNLXGULKT-DYVFJYSZSA-N 484.420 2.311 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccccc2CC)nnc1N1CCO[C@H](C(=O)NC)C1 1589569905 RVOCNHJIJRLHQG-RRPUWOKSSA-N 469.586 2.352 30 10 JEEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(Cc2ccc(OC)cc2)C(=O)C1 1594720245 GSMJENDKUOILOC-HXUWFJFHSA-N 452.559 2.443 30 10 JEEE C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCCC(=O)NC1CC1 1596866573 HBLJXBWMLGSHKF-HZPDHXFCSA-N 458.588 2.133 30 10 JEEE CCc1cnc(CCn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@H](C(N)=O)C2)s1 1613836104 ABGYIIQQONBAEV-INIZCTEOSA-N 451.556 2.302 30 10 JEEE CC(C)C[C@H](CNC(=O)OC(C)(C)C)NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 1628974705 HOMCPEPAWCTAAQ-NVXWUHKLSA-N 452.577 2.281 30 10 JEEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN[C@@H](CO)c2ccc(F)cc2F)CC1 1643927661 AUXFALJRKPAJGL-SFHVURJKSA-N 457.437 2.056 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCN1CCCS1(=O)=O 1649542159 JSCDUKYGIICDHA-UHFFFAOYSA-N 485.614 2.113 30 10 JEEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCO[C@@H]3CCN(Cc4ccccc4)C[C@H]32)c1 1670139875 GBPPFPSONLAFHP-DHIUTWEWSA-N 455.580 2.266 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1CCN1CCCC[C@@H]1CC)[C@H]1CCS(=O)(=O)C1 1689986892 ZFMHNHZMZHOXAT-PMACEKPBSA-N 456.616 2.231 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1C[C@H](c1cccc(OC)c1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1689992275 IZAFJEFZOIPLBG-IFMALSPDSA-N 473.643 2.415 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@H]1CCCCN1CCC)[C@@H]1CCS(=O)(=O)C1 1689993232 YMSPLQVATABUNK-FGZHOGPDSA-N 470.643 2.155 30 10 JEEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(N2CCCC2)CCOCC1 1690003625 SJFJEILYNLJVBD-RUZDIDTESA-N 455.603 2.037 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1CCc1noc(CC)n1 1690095148 GLHWGAKQWUSCHJ-UHFFFAOYSA-N 462.352 2.320 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1690278609 HLUYKOPFQPWYPQ-HSZRJFAPSA-N 474.631 2.073 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CN2CCCC2=O)n1C[C@@H]1CC[C@H](CO)O1 1690561447 QKDAOARURQHPIP-LEWJYISDSA-N 450.543 2.005 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@H](c2ccnn2C)C1 1690662258 WSTDNRAELVMIOG-HNNXBMFYSA-N 487.406 2.466 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CCC[C@@H](CC(N)=O)C1 1690663481 XZVYUUQMVVWKEY-LBPRGKRZSA-N 467.393 2.163 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCCN(C(=O)CC2CCCC2)CC1 1690670355 ADYAZGXAPPVADJ-HXUWFJFHSA-N 458.607 2.093 30 10 JEEE C=CCOc1ccc(Cn2c(CN3CCCC3=O)nnc2N(C)C[C@H]2CCN(C(C)=O)C2)cc1 1690681571 UDVULUYNCCENJV-OAQYLSRUSA-N 466.586 2.318 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](COC(C)C)C1 1690683170 CVHZQZLWSWBQOS-RTWAWAEBSA-N 490.626 2.424 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cc3c(cc2OC)C[C@H](C)O3)C1 1690685937 GKKBMNJUZJKUEB-FRQCXROJSA-N 491.614 2.050 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1690725014 BOQRDQQJTZAXOF-KSFYIVLOSA-N 482.553 2.132 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1690725534 TYNWJIITYQCPEC-UHFFFAOYSA-N 486.642 2.094 30 10 JEEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCN1CCCC[C@H]1CC 1696336204 DZRBGNQRCXYRGG-VQTJNVASSA-N 467.622 2.456 30 10 JEEE CN(C)CCOc1ccc(CCn2c(Cc3cccnc3)nnc2N2CCO[C@@H](C#N)C2)cc1 1696616744 CHGTZSBVSIKBHD-QHCPKHFHSA-N 461.570 2.176 30 10 JEEE COc1c(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)oc2ccccc12 1697239628 IEBMAKBJMNWQLN-RBZFPXEDSA-N 462.507 2.133 30 10 JEEE N#CCC1CCN(c2nnc(-c3ccccc3)n2CCS(=O)(=O)N2CCSCC2)CC1 1698491479 CVASRBQFDWJMHD-UHFFFAOYSA-N 460.629 2.454 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](CCC)OC)c1 1705506672 DWDNICSXIFTPNV-AZUAARDMSA-N 473.599 2.052 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1c(CC)nn(C)c1CC)[C@@H]1CCS(=O)(=O)C1 1705567642 XWSWRZXIDJLDJO-DYESRHJHSA-N 474.631 2.053 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CC(=O)N(C)C)CC1 1705646955 UUTRQICCQQNSQO-UHFFFAOYSA-N 487.402 2.070 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H]2CCC[C@@H]21 1705935991 HOCHTZKCLSPYFP-SQNIBIBYSA-N 481.619 2.176 30 10 JEEE CCn1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N2C[C@@H](COC)O[C@H](C)C2)cn1 1710188446 FXABHBOIDVFXHY-UTKZUKDTSA-N 451.531 2.234 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H]1CCOC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1722361955 LBJRFVXCPYQJKS-CEXWTWQISA-N 488.610 2.262 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1CC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1722364353 KZITZGPOTIWJMO-QGZVFWFLSA-N 496.431 2.099 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CCc1cccc(F)c1F)[C@@H]1CCS(=O)(=O)C1 1722367617 WOZNEXKNIDDTHE-LJQANCHMSA-N 471.533 2.412 30 10 JEEE C#CCN(CCOC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cccc(C(F)(F)F)n1 1722420770 IEIMORIUCRUJTO-HXUWFJFHSA-N 453.465 2.478 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(F)ccc3Br)n2CCCN2CCOCC2)CC1 1722433100 LKYXIWOILHRDQE-UHFFFAOYSA-N 491.409 2.324 30 10 JEEE C#CCN1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1722440827 FFWXBUULQDSDNU-FQEVSTJZSA-N 473.668 2.459 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@](C)(O)C(C)C)CC1 1722443680 MDQRZTGQVIIVST-HSZRJFAPSA-N 454.531 2.226 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H](COC)OC 1722471745 PNMMQSAAEMFEPV-BXKMTCNYSA-N 450.543 2.328 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCOC[C@@H](C2CCC2)C1 1722706257 PGTNYZVYUCOTPH-IBGZPJMESA-N 455.559 2.421 30 10 JEEE CCCC(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCS(=O)(=O)C2)C1 1727892369 DJBJVFLWZVITMR-WOJBJXKFSA-N 484.626 2.384 30 10 JEEE CS(=O)(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(F)cn2)C1 1730997716 DHRZYBNREQPTJB-HXUWFJFHSA-N 470.530 2.325 30 10 JEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cnn(-c2ccccc2)n1 1740573340 BFQVRZFKCATFDC-GOSISDBHSA-N 453.572 2.201 30 10 JEEE C#CCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1740587747 UWGVPMGFHJEKES-UHFFFAOYSA-N 467.599 2.310 30 10 JEEE C#CCN(C)c1nnc(-c2ccc(Br)s2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1740602993 CDDQOAZLEFBFPS-GFCCVEGCSA-N 458.407 2.120 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1nc(C(C)(C)C)cs1)[C@H]1CCS(=O)(=O)C1 1740622045 STIRRAHKNLTQOT-INIZCTEOSA-N 473.628 2.108 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1cccc(C(OC)OC)c1)[C@H]1CCS(=O)(=O)C1 1740627101 YBRKJGDCXZPLRV-QFIPXVFZSA-N 495.605 2.230 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC[C@@H](OC)C(F)(F)F 1740637755 CXIULPFDZHJYAL-QGZVFWFLSA-N 458.444 2.232 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CC1(N2CCSCC2)CCCC1 1740644647 ODEJUIVJCPUPTH-UHFFFAOYSA-N 454.644 2.339 30 10 JEEE C#CCN(CC#CC)c1nnc(COc2ccc(Cl)cc2)n1CCN/C(O)=C1/N=CC=CC1=O 1740659265 SIZDUPWIVPTALO-FCQUAONHSA-N 478.940 2.500 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCc1c(C)noc1C 1740681093 XGFAJVGQTJPYCL-UHFFFAOYSA-N 457.556 2.282 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2c(CC)nn(C)c2OC)CC1 1740700092 FTMRMOCXJAINTD-WIYYLYMNSA-N 469.634 2.305 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H](C)CNC(=O)OC(C)(C)C)CC1 1740704846 UUHODHPQTBKTKX-QGZVFWFLSA-N 469.590 2.400 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2CCc2noc(CC)n2)CC1 1740707100 OUASHVRNRPWSEO-UHFFFAOYSA-N 465.533 2.162 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(OC)cc3)n2CC2CCOCC2)CC1 1740708028 ZNGLDYLJSFBWOG-UHFFFAOYSA-N 467.570 2.258 30 10 JEEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(=O)c2ccc(Cl)cc2)CC1 1740778911 GYIYMDWSZUYTON-INIZCTEOSA-N 481.022 2.470 30 10 JEEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCn1cc(Br)cn1 1740893428 JWJYTCNQDYVTEF-UHFFFAOYSA-N 494.419 2.477 30 10 JEEE CCN1C[C@H](C)N(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C[C@@H]1C 1746374918 DKJBMUXOHOCWCD-CMKODMSKSA-N 471.631 2.017 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H]1CCCN(C(C)=O)C1 1748665490 RORDOWXQHYQLHD-PKOBYXMFSA-N 461.570 2.391 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCS(=O)(=O)C1 1748687370 IXESQVRWBXQNKM-BBWFWOEESA-N 451.593 2.243 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2CCCN2CCOC2=O)c1 1748694336 FASLCZUDYCYWJP-UHFFFAOYSA-N 473.537 2.162 30 10 JEEE C#CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(S(C)(=O)=O)CC1 1748731287 ZIHSEOAMIFDBQP-SFHVURJKSA-N 480.635 2.235 30 10 JEEE C#CCCCn1c(C2CCC2)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1748748102 RGLPTJGNFFRYLC-KURKYZTESA-N 463.604 2.086 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cn2cc(Cl)cc(Cl)c2n1 1748864219 SYBUYHVKBMWZGO-AWEZNQCLSA-N 494.408 2.354 30 10 JEEE C#CCSCCn1c(N2CCC[C@@H](NC(=O)C(C)(C)C)C2)nnc1[C@]1(OCC)CCOC1 1749048729 UXWJNDBFBSYVDX-JPYJTQIMSA-N 463.648 2.428 30 10 JEEE C=C(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(F)(F)C1)c1ccccc1 1749246122 GUZBFZSNORVWNK-KRWDZBQOSA-N 453.515 2.170 30 10 JEEE C=C(Cl)Cn1c(N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)nnc1[C@@]1(OCC)CCOC1 1749283978 FUCMCTJBFZMTHO-AUSIDOKSSA-N 474.993 2.031 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 1749656057 YZQAMXBJXYIJFE-MGPUTAFESA-N 471.558 2.277 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCCN(C(=O)c2ccccc2)CC1 1749667259 WMKYDFMKKGQDKL-UHFFFAOYSA-N 459.554 2.303 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(C(=O)Nc2ccccc2)CC1 1749683167 KZLVXVKMLMFNIJ-UGKGYDQZSA-N 482.585 2.159 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@]2(N(C)C)CCC[C@@H](C)C2)C1 1749696951 FXGSQMLEDMAMGW-MOXWOTFGSA-N 468.668 2.180 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1CC1(CCOCC)CCC1)[C@@H]1CCS(=O)(=O)C1 1760193182 VXNYHYOYDDLHGQ-RTBURBONSA-N 450.605 2.353 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H]2CN(CC(C)C)CCO2)CC1 1760256085 LENZRYSWWXSZBR-HXUWFJFHSA-N 458.010 2.106 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3)n2CC[S@@](=O)CC)CC1 1760256513 YKTLVCQDKKZBKF-MHZLTWQESA-N 450.406 2.231 30 10 JEEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2C[C@@H](C(C)C)N2CCOCC2)CC1 1760261941 XIKVIILGZBMQIF-DEOSSOPVSA-N 466.630 2.012 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@@H]2N(C)CCCC2(C)C)CC1 1760271522 AKAYNNSLNIRYJK-QFIPXVFZSA-N 463.630 2.350 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2CC2(COC)CCOCC2)CC1 1760271637 FCYQGAKRQKHDCY-UHFFFAOYSA-N 457.619 2.420 30 10 JEEE C#CCSCCn1c(CCc2ccccc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1760283726 YZHMDRGRJVUABY-UHFFFAOYSA-N 466.655 2.174 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCOC[C@@H]1C 1760294694 DQSQIUXCKOXLFM-WZOHSFFVSA-N 488.633 2.299 30 10 JEEE C=C(C)COCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(=O)NCC)CC1 1760353597 YCBMORHWQVKILI-UHFFFAOYSA-N 458.563 2.407 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1760517342 KHLOVHXOGYAKMP-ZDUSSCGKSA-N 495.353 2.426 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(O)(c2ccccc2Cl)CC1 1760530679 UCIBDAWWOGBUSB-UWJYYQICSA-N 490.004 2.446 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)N(CC)CC)CC1 1760556807 QNQYQOXGJXCQMG-UHFFFAOYSA-N 492.621 2.193 30 10 JEEE Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)CC#N)n2C[C@@]2(N3CCOCC3)CCSC2)n1 1762408056 GVHZOQAGESIMOE-GCJKJVERSA-N 458.636 2.086 30 10 JEEE C[C@@H]1CN(C(C)(C)Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(CC#N)CC2)C[C@@H](C)O1 1763025279 BYMIDWZZWCMERO-GGPKGHCWSA-N 478.663 2.198 30 10 JEEE CCOC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2ccccc2C#N)CC1 1765766697 HSEOIWPAURDIET-UHFFFAOYSA-N 451.575 2.414 30 10 JEEE CN(C)CCN1CCC(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCn2cccn2)CC1 1768513766 ABSNYHJQKWSIOM-UHFFFAOYSA-N 461.618 2.423 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1772660415 UUBUEVCBBRBVFP-GOSISDBHSA-N 470.599 2.111 30 10 JEEE COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2C[C@@H](C)O)cc1 1862610315 HVJNLRCKFMJJEM-ZUOKHONESA-N 453.447 2.204 30 10 JEEE CC(=O)Nc1ccc(-n2nnc(C#N)c2NC(=O)[C@@H](C(C)C)N2C(=O)c3ccccc3C2=O)cc1 1870143232 DGNFDYVQAPXKPJ-HXUWFJFHSA-N 471.477 2.357 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCCCN2C(=O)c3ccccc3C2=O)cn1CCCO 1870376429 NFRWQRWLZPOJQB-UHFFFAOYSA-N 465.550 2.470 30 10 JEEE COC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1cc(OC)c(OC)c(OC)c1 1874337632 NHMWNFBJFXMUIG-MQEPLNOPSA-N 491.570 2.176 30 10 JEEE CC(C)N1C(=O)CS[C@@H](C(=O)NCc2ccnc(N3CCOCC3)c2)[C@@H]1c1ccc(C#N)cc1 1892063414 COXUWRAUKNXWIL-BJKOFHAPSA-N 479.606 2.500 30 10 JEEE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 2000534722 WTFIAGUFVNMDFO-DVECYGJZSA-N 484.553 2.051 30 10 JEEE CC(C)(C)OC(=O)N1CCN(CC(=O)N2CCC[C@@H](B3OC(C)(C)C(C)(C)O3)C2)C(=O)C1 2124536761 STYOAVIURGIRLC-MRXNPFEDSA-N 451.373 2.151 30 10 JEEE CC(C)(C)OC(=O)N1CC(O)(CCNC(=O)c2csc(B3OC(C)(C)C(C)(C)O3)c2)C1 2255665060 AIGCRVKIQXWZMR-UHFFFAOYSA-N 452.382 2.149 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CC[S@](=O)(=NC(=O)c2occc2B2OC(C)(C)C(C)(C)O2)C1 2255812573 JABCQKAYESSDBS-WAJSEHEASA-N 454.354 2.484 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H](CC(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2256618548 RDCFDGCADDBANE-OLZOCXBDSA-N 452.386 2.281 30 10 JEEE Cn1nc(C(=O)NC2CC3(C2)C[C@@H]3NC(=O)OCc2ccccc2)cc1B1OC(C)(C)C(C)(C)O1 2267128219 OYZBDXMPLXGRAR-HTHJYTGDSA-N 480.374 2.297 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](NC(=O)c3ccsc3B3OC(C)(C)C(C)(C)O3)CO[C@H]2C1 2267243844 BIUDYWXRTBACML-JYJNAYRXSA-N 464.393 2.411 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CN(C(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)CC[C@H]1CO 2267484235 FYWHFOMDOYGTJQ-YOEHRIQHSA-N 466.409 2.395 30 10 JEEE CCC[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1c(C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2267530227 XCQHAJUNQKCBTO-OAHLLOKOSA-N 450.389 2.451 30 10 JEEE C[C@@H](c1nscc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)O 2268651283 OCCTZVXGJPJKKN-ZENOOKHLSA-N 469.413 2.236 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)CC[C@@H]1C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)s1 2268784951 ITDQBCSCOWYNPJ-GDBMZVCRSA-N 466.409 2.424 30 10 JEEE CN1CCN(c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)[C@H](CNC(=O)OC(C)(C)C)C1 2269002180 ZALDOCUOELVURF-MRXNPFEDSA-N 450.364 2.165 30 10 JEEE CN(CCc1nc(NC(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)n[nH]1)C(=O)OC(C)(C)C 2281830814 QHZCSDKEJAIJNR-UHFFFAOYSA-N 461.328 2.359 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1C[C@@H](F)CN(C(=O)OC(C)(C)C)C1 2281964610 ACCSJFUGKDEHFC-HUUCEWRRSA-N 466.363 2.280 30 10 JEEE C[C@@H](NC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1)C1(O)CCN(C(=O)OC(C)(C)C)CC1 2281999198 WFABYNVUQRSNTF-CQSZACIVSA-N 481.424 2.323 30 10 JEEE C[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2282049533 APMXZKIIZCOCHF-RISCZKNCSA-N 459.249 2.192 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)N1C[C@H](O)C[C@H]1CNC(=O)OC(C)(C)C 2282151617 UAJYNYLSINFASV-ZWKOTPCHSA-N 460.380 2.394 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc(B3OC(C)(C)C(C)(C)O3)o1)CCO2 2282201421 WEVWJHWYGXEREK-QHCPKHFHSA-N 462.352 2.431 30 10 JEEE CC(C)(C)OC(=O)N[C@]12CC[C@@H]1CN(S(=O)(=O)c1cncc(B3OC(C)(C)C(C)(C)O3)c1)C2 2282347640 ASAVBWQTNPHJLH-QRQCRPRQSA-N 479.408 2.059 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(C(=O)OC(C)(C)C)CC12CCC2 2282536658 GCAYHDOYPDAIPW-UHFFFAOYSA-N 460.384 2.335 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)OC(C)(C)C)n1 2282537093 LRPHSGGKRYQOTK-UXLLHSPISA-N 460.384 2.095 30 10 JEEE COc1cc(C(=O)N[C@@H]2COC[C@H]2NC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2282567794 SMRRBVYDBKDGKT-IAGOWNOFSA-N 462.352 2.016 30 10 JEEE Cn1cc(C(=O)N[C@]23CCCN(C(=O)OC(C)(C)C)C[C@H]2C3)c(B2OC(C)(C)C(C)(C)O2)n1 2282577326 CVFSRTREKVRATE-CMJOXMDJSA-N 460.384 2.239 30 10 JEEE Cc1nn(C)c(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)c1B1OC(C)(C)C(C)(C)O1 2282586239 WKGLMEYNRDRIFJ-GDBMZVCRSA-N 462.400 2.261 30 10 JEEE C[C@H](CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 2282607544 KWIFVWKGFQTQQC-JLCFBVMHSA-N 481.424 2.180 30 10 JEEE CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282857515 JHCNHTSQMIZEMN-QHCPKHFHSA-N 492.472 2.305 30 10 JEEE C[C@H](C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1)N1CCN(C(=O)OC(C)(C)C)CC1 2283959297 KQTOOHJFJZHKJA-MRXNPFEDSA-N 460.384 2.261 30 10 JEEE C[C@@H](C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F)N1CC(NC(=O)OC(C)(C)C)C1 2284055404 SLOWNRYPYKWUNH-ZDUSSCGKSA-N 464.347 2.056 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1NC(=O)[C@]1(NC(=O)OC(C)(C)C)C[C@@H](O)C1 2284068110 YRCHPQZXKBTBPN-GUJKFWMDSA-N 462.352 2.351 30 10 JEEE Cc1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O 2285953615 XKGCTJCIKIXUBE-QZTJIDSGSA-N 464.343 2.143 30 10 JEEE C=CCN(CC(=O)N1C[C@H]2C[C@@H](C1)[C@@H](CO)[C@H]2NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C 2312599040 WKPHLDOSCOQUCD-FAJBIJEISA-N 453.580 2.390 30 10 JEEE CC[C@H](CN(CC)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C)NC(=O)OC(C)(C)C 2337207076 WMHBBWWGMXGVGB-OAHLLOKOSA-N 450.389 2.485 30 10 JEEE CC(C)N(CCN(C)C(=O)OC(C)(C)C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2337304144 QAGFAYTVFHAZJC-UHFFFAOYSA-N 450.389 2.437 30 10 JEEE Cc1scc(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)c1B1OC(C)(C)C(C)(C)O1 2343505241 DDVVGVAOTFUHBL-GDBMZVCRSA-N 466.409 2.313 30 10 JEEE CN(C(=O)OC(C)(C)C)[C@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CC1(C)C 2361514337 LOSGONNFVUIIHT-INIZCTEOSA-N 462.400 2.437 30 10 JEEE CC(C)(C)OC(=O)NC[C@@]1(C)CN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CC1(F)F 2379684311 WMBWRQGHYNJOEL-FQEVSTJZSA-N 470.326 2.331 30 10 JEEE C=CCN1C(=O)/C(=N\NC(=S)Nc2cccc(C)c2)c2cc(S(=O)(=O)N3CCOCC3)ccc21 3037256 FTYSHZLGQSAERT-DAFNUICNSA-N 499.618 2.239 30 10 JEEE C=CCn1c(=O)c2sc(N3CCCCC3)nc2n(CC(=O)NCc2cccc(OC)c2)c1=O 21655696 UCNMRGNSWYJAJD-UHFFFAOYSA-N 469.567 2.121 30 10 JEEE C#CCOC[C@H](O)CN(CCCOC)Cc1c(-c2ccc(F)cc2)noc1N1CCOCC1 36249719 CVBPFQQHKHZMMV-OAQYLSRUSA-N 461.534 2.167 30 10 JEEE Cc1nc2ccccn2c1/C(O)=C1/C(=O)C(=O)N(CCN2CCOCC2)[C@H]1c1cccs1 103106773 CGWYFSHDEGGABQ-HUZQBFDWSA-N 452.536 2.458 30 10 JEEE COCCN(CCOC)C1=C(Sc2nc(C)cc(C)n2)C(=O)N(c2ccc(C#N)cc2)C1=O 526700534 FMYFSHVUELGNEG-UHFFFAOYSA-N 467.551 2.437 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)NCC(=O)N3CCN(c4cccc(Cl)c4)CC3)cc2C1=O 590507237 JJTHEMNAYRZSPJ-UHFFFAOYSA-N 466.925 2.201 30 10 JEEE C#C[C@@H](CC)NC(=O)C1CCN(c2ccc(S(=O)(=O)N(CC)CC)cc2[N+](=O)[O-])CC1 1129611263 WTMFJKATCKPTPM-KRWDZBQOSA-N 450.561 2.370 30 10 JEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC1(C)CCN(C(=O)OC(C)(C)C)CC1 1138512609 AQOHGWDZVQFQED-HNNXBMFYSA-N 450.561 2.131 30 10 JEEE C#CCOc1ccc(F)cc1NC(=O)N1CCN(C(=O)OC(C)(C)C)[C@H]2CS(=O)(=O)C[C@H]21 1215510379 QJWBNOISBPYMMN-SJORKVTESA-N 467.519 2.088 30 10 JEEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1286340385 ZRRUWEUJVOOBHX-HXUWFJFHSA-N 496.612 2.127 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1CCN1CCCC[C@@H]1CC)[C@H]1CCS(=O)(=O)C1 1286386847 ILTIIPBLFIUCQJ-SFTDATJTSA-N 456.616 2.231 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@](C)(O)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1286393728 RRWFMJDLVRQCOR-ZJSXRUAMSA-N 471.627 2.222 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2CC(=O)NC2CCCCC2)CC1 1286491038 BUVTZFWJFDXAJG-UHFFFAOYSA-N 480.588 2.423 30 10 JEEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1286500308 VKUBMVBGIBXKRQ-UHFFFAOYSA-N 458.613 2.043 30 10 JEEE C#CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC(CNC(C)=O)CC1 1286504200 JHOFRMKNPOQKND-UHFFFAOYSA-N 493.637 2.394 30 10 JEEE C#CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCN(CC)C(=O)C1 1286509430 QGUUVLCJZKIRIX-GOSISDBHSA-N 492.646 2.012 30 10 JEEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCCN(S(C)(=O)=O)CC1 1286511776 CYYSLWPLQUAGOO-QZTJIDSGSA-N 469.677 2.035 30 10 JEEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CC[C@@H](CN2CCOCC2)C1 1286535652 JPKQEVZCQNJDAF-SJORKVTESA-N 458.401 2.069 30 10 JEEE C=CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1286690803 WDIZRRFBMNRJCC-UDIDDNNKSA-N 474.650 2.347 30 10 JEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C)c2ccccc2C1 1286700813 RNJHFVFXESZSNY-HXUWFJFHSA-N 460.604 2.034 30 10 JEEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC[C@H](C(F)F)N1CCOCC1 1286725552 VMIGCBQKQHWMAV-LJQANCHMSA-N 476.576 2.430 30 10 JEEE C=CCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1286777067 YEVNHZWLEKBXSA-UHFFFAOYSA-N 482.629 2.456 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1286804474 NRMKIZNEKGTDPN-WMZOPIPTSA-N 462.572 2.178 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CCc2nccnc2C)C1 1286813467 VNORDGQDCSAKKV-QGZVFWFLSA-N 453.572 2.392 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1286814576 CMOCFEUOCGESPC-HXUWFJFHSA-N 497.625 2.450 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1c(C)nn(C)c1C 1286816694 KWDYIHQYKMNYKU-UHFFFAOYSA-N 453.572 2.404 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 1286822629 MATGXIQOWQLTLW-UHFFFAOYSA-N 490.630 2.358 30 10 JEEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2c(F)ccc(F)c2C1 1286832318 RTNUETLZVFLJST-LJQANCHMSA-N 499.609 2.371 30 10 JEEE C=CCOc1ccccc1CNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 1293525763 OSYLDOVNUULBSD-MJGOQNOKSA-N 450.944 2.345 30 10 JEEE C#CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(C(C)=O)C[C@H]1C 1300362109 KXEDQRIHULQSLV-LJQANCHMSA-N 450.591 2.313 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@](C)(O)[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1300500507 ADSCHHGQQLCXEB-ZYKOEDHHSA-N 458.628 2.487 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2CCS(=O)(=O)C(C)(C)C)CC1 1300685010 DKHVAUAIXGUBTK-UHFFFAOYSA-N 497.463 2.015 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)s3)n2CCCN(C)CCOC)CC1 1300690456 LOAXEIAIDTZZSA-UHFFFAOYSA-N 481.464 2.493 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H](C)OC)CC1 1300716370 LPZRKTCKVDWCJI-CQSZACIVSA-N 463.380 2.047 30 10 JEEE C#CCSCCn1c(COc2ccccc2F)nnc1N1CCN(c2ncccn2)CC1 1300776139 DZUVWRBZBUOAIJ-UHFFFAOYSA-N 453.547 2.479 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCOC[C@H]1OC 1300789187 BCHKIGYYIXBQIE-KKLQWCBXSA-N 458.584 2.392 30 10 JEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 1301258005 JCRDSWMGSNSENS-PMACEKPBSA-N 462.620 2.428 30 10 JEEE C=CCN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1CCS(=O)(=O)C1)C1CC1 1301313056 VMYXQOCTWUVSBD-INIZCTEOSA-N 463.991 2.451 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@H](NC(C)=O)C1 1301484706 LAUSNWRCUJQOMD-KRWDZBQOSA-N 461.364 2.115 30 10 JEEE C=CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCCN(C(C)=O)CC1 1301600542 CFUJJFJRUWEWPK-UHFFFAOYSA-N 463.629 2.326 30 10 JEEE CS(=O)(=O)N1CCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N1CCC(C#N)CC1 1302478132 DDVKSFSWZFUGQP-QGZVFWFLSA-N 462.551 2.160 30 10 JEEE CC[C@H](C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1Cc1cccc(OCC(N)=O)c1 1305521700 DORFLCYLPNUVPD-SFHVURJKSA-N 474.569 2.297 30 10 JEEE C#CCN(C)c1nnc(-c2ccc(Br)cc2)n1CCS(=O)(=O)N1CCSCC1 1358942292 PVMBRYCNJFPAHV-UHFFFAOYSA-N 484.445 2.156 30 10 JEEE C#CCN(c1nnc([C@@H](CC)c2ccccc2)n1Cc1nncn1CC)[C@@H]1CCS(=O)(=O)C1 1358956111 ANBOBRGZMLAEIL-UXHICEINSA-N 467.599 2.106 30 10 JEEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CCc1c(C)cccc1C)[C@H]1CCS(=O)(=O)C1 1358956245 CGOUCDZCTNIGFF-SQJMNOBHSA-N 486.638 2.416 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Cl)n1Cc1ccc(C)n(C)c1=O)[C@H]1CCS(=O)(=O)C1 1358959235 FEHADADMRKVFMZ-SFHVURJKSA-N 485.997 2.281 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC(C)(C)c2ccccn2)CC1 1359042287 ZSUQAWHVQRPASA-SANMLTNESA-N 480.613 2.269 30 10 JEEE C#CCSCCn1c(-c2cccnc2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1359054429 VOFYZJDEZWGQSH-LJQANCHMSA-N 467.643 2.276 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCN(C(=O)OCC)CC1 1359091620 PMINWBTVXHNHTC-QYZOEREBSA-N 451.568 2.262 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1359093402 NFXAFHMXEBBEJP-QRFRQXIXSA-N 496.655 2.199 30 10 JEEE C=CCOc1ccc(Cn2c(N3CCN(C)C(=O)[C@@H]3C)nnc2[C@@]2(OCC)CCOC2)cc1 1359308647 UVJYKMIKPJUDNR-MHECFPHRSA-N 455.559 2.210 30 10 JEEE C=CCOc1ccccc1Cn1c(N2CCN(C(=O)NC)CC2)nnc1[C@]1(OCC)CCOC1 1359311378 ZDRRFXHNVVKUGV-DEOSSOPVSA-N 470.574 2.005 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Br)s3)n2CCS(=O)(=O)NC)C1 1359315252 QPLJOMLUYRSNHQ-GFCCVEGCSA-N 476.422 2.100 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1359328578 IZJLMTAQXJBJFK-DOTOQJQBSA-N 498.696 2.356 30 10 JEEE CC1(C)CN(CCn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@](F)(C#N)C2)CCO1 1360830127 FIGTWMMGZJCYQK-QHCPKHFHSA-N 453.522 2.282 30 10 JEEE CCC(CC)[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](C#N)C1)N1CCOCC1 1496668430 CXRJDCPFVDUXJX-YADHBBJMSA-N 470.622 2.006 30 10 JEEE CCn1cccc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCCN(C(C)=O)CC2)c1=O 1502235905 AVAFLZDWRZZURB-UHFFFAOYSA-N 475.553 2.017 30 10 JEEE C#CCN(c1nnc(-c2ccccc2F)n1CC[S@](=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1507629557 NYQJAHTZLWKDLF-DFYVNMARSA-N 466.604 2.258 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CC1(COC)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1507635934 WJBJEGDLXXMCRK-OAQYLSRUSA-N 471.627 2.488 30 10 JEEE C=C(C)COCCn1c(N2C[C@@H]3CCC(=O)N[C@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1507847207 DASUNCPWKHHQKW-OKYOBFRVSA-N 474.606 2.356 30 10 JEEE C=C(Cn1c(N2CCN(CC(=O)NCC)CC2)nnc1[C@]1(OC(C)C)CCOC1)c1ccccc1 1507850622 PTNIMRBYVPKFCN-SANMLTNESA-N 482.629 2.290 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccn1 1508104603 LYRYFVLYCMEVOB-JOCHJYFZSA-N 498.609 2.256 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCC(=O)N2CCCCC2)C1 1508107492 ALQPPBYFNJXAAB-SFHVURJKSA-N 453.547 2.109 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCN2C(=O)CC[C@H]2C1 1508132005 TVXGLBMJPUWKPY-WMZOPIPTSA-N 494.017 2.483 30 10 JEEE CC(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2nccnc2C)CC1 1508341140 HNYBRRNCVZWVBR-UHFFFAOYSA-N 460.542 2.175 30 10 JEEE CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N[C@@H]2CCc3cc(C#N)ccc32)o1 1524941227 ARTKAHCRHDBKJU-MSOLQXFVSA-N 457.508 2.285 30 10 JEEE N#Cc1ccc(O[C@@H]2CCN(C(=O)CN3C(=O)COc4cc(Br)ccc43)C2)nc1 1527081678 GCQPIABWXMDIOE-OAHLLOKOSA-N 457.284 2.121 30 10 JEEE C#Cc1ccccc1CC(=O)Nc1ccc(S(=O)(=O)Nc2ncnc(OC)c2OC)cc1 1533924776 LWGAPPTYAGCGLD-UHFFFAOYSA-N 452.492 2.457 30 10 JEEE Cc1nn(C)c(N2CCN(C(=O)C3CCN(C(=O)OCc4ccccc4)CC3)CC2)c1C#N 1537402816 FBJZWNKSQVAUPM-UHFFFAOYSA-N 450.543 2.298 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(C(N)=O)CCOCC1 1539012771 KQUIIDFMQGZTAE-ZWKOTPCHSA-N 474.606 2.133 30 10 JEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(=O)c2ccccc2)CC1 1539052278 CIPBLDCKCUACRP-LJQANCHMSA-N 472.615 2.044 30 10 JEEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1539097420 MIAZNDKDJLAPDB-UHFFFAOYSA-N 483.374 2.270 30 10 JEEE C#CCN(c1nnc(C2CC2)n1Cc1ccc(OC)c(OC(F)F)c1)[C@H]1CCS(=O)(=O)C1 1539216204 PDHVUJPZZNHACO-INIZCTEOSA-N 466.510 2.441 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCOc1ccccc1)[C@H]1CCS(=O)(=O)C1 1539224907 KFDIEYDAXZJAMJ-IBGZPJMESA-N 471.608 2.340 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(Br)c2)n1CCC[C@@H]1NC(=O)NC1=O 1539306979 PCYUZHGYZFGCDH-KRWDZBQOSA-N 499.369 2.167 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1CCc2ccccc2C1 1539368798 CDLJJCORRBILLN-NRFANRHFSA-N 455.628 2.477 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H](C)SC)CC1 1539470073 JJMVGCJOLUQWGQ-MRXNPFEDSA-N 475.640 2.066 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(OCCOC)cc2)CC1 1539481856 PASCPDNFCGBRJV-JOCHJYFZSA-N 481.597 2.211 30 10 JEEE C#CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1539516783 CQXJKZLSLXDCAS-CRAIPNDOSA-N 450.586 2.026 30 10 JEEE C=C(Br)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC(=O)N(C)[C@@H](C)C1 1539600886 WJGPKQSNCOMEFH-LSDHHAIUSA-N 499.410 2.162 30 10 JEEE C=C(Cl)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CCNS(C)(=O)=O 1539801548 CFWYPIPGOZTQCK-HNNXBMFYSA-N 477.031 2.131 30 10 JEEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccnc2OCC(F)F)CC1 1539848728 QXCFUHUBMOQNSL-INIZCTEOSA-N 453.515 2.424 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cnn(C)c1C 1540200406 AUCWXHFZJHDVKQ-IBGZPJMESA-N 475.594 2.316 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1540896024 DUDFROZLYZEZFI-UAFMIMERSA-N 481.663 2.260 30 10 JEEE CCc1nn(C)c(OC)c1Cn1c(COc2ccc(C)cc2)nnc1N1CCO[C@H](C#N)C1 1546398056 CKJJTKHEPXRBKD-GOSISDBHSA-N 451.531 2.247 30 10 JEEE CCn1nc(-c2nnc(N(CCC#N)CC3CC3)n2CCC(=O)N(C)C)c2ccccc2c1=O 1547737768 CZQQBXHUCPPJKE-UHFFFAOYSA-N 462.558 2.283 30 10 JEEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCCC2(C)C)CC1=O 1555584207 CNPBKQQPLINTFO-DEOSSOPVSA-N 452.559 2.053 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(NC(=O)NC(C)C)cc1 1587639735 MSUTXGRHBBLFHW-SJLPKXTDSA-N 458.588 2.216 30 10 JEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(=O)c2cccc(Cl)c2)CC1 1587807519 FPXCXJXRFRVKNR-KRWDZBQOSA-N 493.033 2.308 30 10 JEEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1587861218 IGHNUBHDOBAFPO-VQTJNVASSA-N 469.590 2.176 30 10 JEEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1587884322 VCQGRQOPNRRVDQ-GBXCKJPGSA-N 475.597 2.131 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@]1(O)CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1588064432 IBNFJBRFAUMOPX-VAXXYWNWSA-N 472.611 2.055 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCNC(=O)C(C)(C)C 1588185221 DFSAQQSCLSMQLH-UHFFFAOYSA-N 483.642 2.172 30 10 JEEE C#CCN(CC#CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC1(C(N)=O)CCCC1 1588245366 AGICOJAWAXNKCJ-UHFFFAOYSA-N 487.652 2.151 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN1CCCC(C)(C)C1 1588629067 WDLYKZHLKHYYEH-UHFFFAOYSA-N 477.613 2.400 30 10 JEEE C#CCN(CCOC)c1nnc(Cc2cccnc2)n1C[C@@H]1C[C@@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1588659647 MJEYLVSCACTUEP-BHIFYINESA-N 496.612 2.374 30 10 JEEE C#CCN(CCOC)c1nnc(Cc2cccnc2)n1C[C@@H]1C[C@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1588659650 MJEYLVSCACTUEP-FKBYEOEOSA-N 496.612 2.374 30 10 JEEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2CC2(C(=O)NCC)CCC2)CC1 1588837584 YWHGIRWONSFSHC-UHFFFAOYSA-N 456.541 2.209 30 10 JEEE C#CCN1CCN(c2nnc(CCN3CCN(c4ccccc4)CC3)n2C[C@](C)(O)[C@@H](C)CC)CC1 1588858091 XRDNWRYCGOAXPK-CUBQBAPOSA-N 493.700 2.195 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCCCCCO)CC1 1588877158 XKFXVTFNGYAYKG-BGYRXZFFSA-N 460.623 2.357 30 10 JEEE C=CC[C@@H](Cn1c([C@H]2CCOC2)nnc1N1CCN(CC(=O)N(C)C)CC1)c1ccccc1 1594544005 GOOLKBONUHQNDV-VXKWHMMOSA-N 452.603 2.352 30 10 JEEE C=CC[C@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](C(=O)NC)C1)c1ccccc1 1594552089 GYTGQWBFFJCBEO-MBDNFAEBSA-N 469.586 2.313 30 10 JEEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1594624870 CDXYZHLPHLEDFT-SFHVURJKSA-N 464.636 2.263 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1595577421 RTGWVLNXAVIOIK-MOPGFXCFSA-N 461.950 2.197 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2(COC)CCOCC2)C1 1595674805 UNJPYRLKJSFJOK-SFHVURJKSA-N 456.547 2.150 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCO[C@H](C#N)C1 1595759420 FEDLEUQVTQPYLD-RBUKOAKNSA-N 459.572 2.365 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](CC)c2ccccc2)nnc1N1CCN(c2cnn(C)c2)CC1 1595760518 OLSXPMMXOXAFSX-JOCHJYFZSA-N 483.642 2.481 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H]1[C@@H]1CCCO1 1595823676 QAIZJZVINMYMCK-SFTDATJTSA-N 471.583 2.477 30 10 JEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1595884673 PZVFUXYYISCKSD-IRXDYDNUSA-N 469.677 2.231 30 10 JEEE N#Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NC3CCCCC3)CC2)cc1C(F)(F)F 1621760534 BFVFIAXLEBSNHV-UHFFFAOYSA-N 458.506 2.332 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](C)c2ccc(S(=O)(=O)CC)cc2)s1 1623790683 MVLAUFMPGAROSG-CQSZACIVSA-N 456.611 2.426 30 10 JEEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H](c2ccc(C)cc2)[C@@H](C)S(C)(=O)=O)cc1 1634241693 IKUTYZZBOCZTOI-UZLBHIALSA-N 450.582 2.364 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1ccc(F)cc1)C1CC1 1689930474 SDJOUDJJHCLWMT-FQEVSTJZSA-N 461.563 2.333 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1Cc1ccc(N(C)C)nc1)[C@@H]1CCS(=O)(=O)C1 1689997036 URWVQZGQGWVLQK-OAQYLSRUSA-N 494.621 2.302 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)O[C@H](c2ccccc2)C1 1690288301 QSLWRVUJQJIHNF-HOJAQTOUSA-N 461.588 2.154 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1)C(C)C 1690581417 RFOSLHYYACKAGQ-BDTNDASRSA-N 483.661 2.270 30 10 JEEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCC(C)=C(Br)C1 1690669410 DULUZANKBTVVTJ-UHFFFAOYSA-N 463.336 2.187 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2CC2(C(=O)NCC)CCC2)c1 1705507712 JHDFUVKYSQWFAS-HXUWFJFHSA-N 464.570 2.492 30 10 JEEE C#CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@]2(CCC(=O)N2)C1 1705516476 CGXDGQANXBDLQU-HOYKHHGWSA-N 472.590 2.249 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@H]1CCCS(=O)(=O)C1 1705598014 YKTCULRWRZEEQA-GHTZIAJQSA-N 454.552 2.078 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cn(C)nc1-c1ccccc1 1705598731 PRLSPGVHSCKQDV-HXUWFJFHSA-N 462.579 2.092 30 10 JEEE C#CCN(CC)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1705607549 HVVMFLICBKKSGV-NHCUHLMSSA-N 452.584 2.480 30 10 JEEE C#CCN1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2C[C@@](C)(O)CCC(C)C)CC1 1705639220 JBOGMQPTOWXKOV-SANMLTNESA-N 480.661 2.395 30 10 JEEE C#CCSCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC(C(=O)OC)CC1 1705663299 CLLDOUOBNMQAAC-UHFFFAOYSA-N 496.681 2.399 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2cccnn2)CC1 1705693955 MLKHPKYSWCAGIO-RXVVDRJESA-N 468.606 2.294 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CCOC2)nnc1N1CCC(C(=O)NCCCN2CCCC2)CC1 1705753698 HIFRDEQKVOHNGY-LJQANCHMSA-N 451.015 2.353 30 10 JEEE C=CCCOCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1705825435 SZQCAHGQSVTCQZ-DEOSSOPVSA-N 452.559 2.456 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(c2ncccc2F)CC1 1705898461 MNGFFFQKEXMDFQ-UHFFFAOYSA-N 481.532 2.125 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1705917166 QYLLWVYFBJOKTO-ZBFHGGJFSA-N 499.435 2.099 30 10 JEEE C=CCSCCn1c(-c2cccn2C)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1705942965 KEBBVXYKXZEMSY-LJQANCHMSA-N 457.648 2.336 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1706743655 DDTBGPDKQFZPAM-IRXDYDNUSA-N 468.587 2.355 30 10 JEEE Cc1cccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(CCC#N)CC2CC2)c1 1707616209 CENSBXCRDKBBDM-HXUWFJFHSA-N 458.588 2.098 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCCN(C(C)C)C1)[C@H]1CCS(=O)(=O)C1 1722367721 XJFDWBYWDULFBJ-CTNGQTDRSA-N 490.699 2.381 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](CC)c3ccccc3)n2C[C@@H]2COCCO2)CC1 1722444057 DQVSEBZFJVMNJH-FGZHOGPDSA-N 451.571 2.201 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2C[C@@H]2CCCN2CC)CC1 1722445074 KYTQHMLFXZXTMG-FQEVSTJZSA-N 450.587 2.404 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2CCC(=O)NCCC)CC1 1722449769 ZAELRZLCZVJAHK-UHFFFAOYSA-N 450.587 2.059 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1([S@@](C)=O)CC1 1722672838 AEJSYSDLQFTEIP-WWOZWPLTSA-N 462.641 2.326 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1 1722698844 NMKHHRUPQRKACU-AEFFLSMTSA-N 462.595 2.214 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1722700846 XEPOSCHZUFLDRS-IEBWSBKVSA-N 469.590 2.306 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](CN2CCC(C)CC2)C1 1722702514 LYUNYGLUJBHYHX-FUDKSRODSA-N 474.650 2.253 30 10 JEEE C=CCOc1ccc(Cn2c(-c3ccccn3)nnc2N2CC[C@H](S(=O)(=O)NCC)C2)cc1 1722706509 UEJGPWBCCDJPKS-FQEVSTJZSA-N 468.583 2.471 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C[S@@](C)=O)cc2)C1 1722708968 HFYOQOHSODKYMT-MQFAKOPTSA-N 457.600 2.222 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1CCC(=O)NC(C)(C)C 1723924634 GWWVUTDIBALFNU-MRXNPFEDSA-N 487.630 2.234 30 10 JEEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CC(C)(C)NC(=O)OC(C)(C)C 1727602323 AZIXUCZXRSZDQZ-UHFFFAOYSA-N 471.610 2.384 30 10 JEEE CCCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1728201904 BCXHRXXKSAXFKO-UHFFFAOYSA-N 450.522 2.147 30 10 JEEE CN(C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(N)=O)C1)C1CCCCC1 1729291522 GETCBIHBVOFIHD-LJQANCHMSA-N 479.585 2.222 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1[C@H]1C[C@H](c2ccc(F)cc2)C1 1740552982 PTYYJMNKAAUBET-LWCVALJOSA-N 461.563 2.327 30 10 JEEE C#CCN(c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC1CC1)[C@H]1CCS(=O)(=O)C1 1740625873 IPBKWALKSBSFFC-IBGZPJMESA-N 477.631 2.429 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1csc([C@@H](C)OC)n1)[C@@H]1CCS(=O)(=O)C1 1740626856 WOKOTDKDQGWCTO-VQIMIIECSA-N 486.623 2.103 30 10 JEEE C#CCN(c1nnc(COCC)n1CC(C)(C)N1CCc2ccccc2C1)[C@H]1CCS(=O)(=O)C1 1740628838 VBPKOFWLFOHQBM-QFIPXVFZSA-N 485.654 2.278 30 10 JEEE C#CCN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1740663443 JFPJFJRQXIGMBS-DVECYGJZSA-N 468.606 2.279 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CCN2CCCC[C@@H]2CC)CC1 1740706815 DVCLYENDBNKZOR-QHCPKHFHSA-N 463.630 2.494 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCO[C@@H]1C(C)C 1740731668 FMIAQGDVYNYMAP-VLVHOKLOSA-N 479.647 2.054 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 1740749608 AFMLBFXLLYMIQW-JTHBVZDNSA-N 480.613 2.289 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC2(S(C)(=O)=O)CC2)C1 1740978201 PRGCLNXVOIFLOS-QGZVFWFLSA-N 462.572 2.321 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@@H](OC)C1 1740989102 ZYFZPHFWUMWADM-QGZVFWFLSA-N 450.561 2.178 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@](C)(O)c1ccc(F)cc1 1741929668 AFZJEGJZBYSHAX-IWMITWMQSA-N 464.567 2.065 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1cccn(CC)c1=O 1748646603 BFFUGMPCDABFJC-MRXNPFEDSA-N 467.599 2.234 30 10 JEEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1ccc(NC(C)=O)nc1 1748766147 HFELBXLJFAHFBQ-UHFFFAOYSA-N 451.918 2.333 30 10 JEEE C#CCN(C)c1nnc(Cc2csc(C)n2)n1CCCN1CCN(c2ccncc2)CC1 1748794200 YGNQINZJFIKJPH-UHFFFAOYSA-N 450.616 2.311 30 10 JEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)Cc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1748802944 UKHGMLJSIUPCBS-FPOVZHCZSA-N 499.637 2.028 30 10 JEEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CC(F)(F)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1748804717 KGBGDMBKUORKDJ-DENIHFKCSA-N 494.564 2.349 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1CC(=O)Nc1c(C)cccc1C)[C@H]1CCS(=O)(=O)C1 1748811410 GNZRFXAKQRGXND-IBGZPJMESA-N 480.594 2.166 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H](C)CN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1748811450 HDCALMRJGNUSOC-PMACEKPBSA-N 458.632 2.032 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccc(C)cc1)N1CCCC1 1748962580 LSEFVAQELSGGOA-XZOQPEGZSA-N 485.654 2.412 30 10 JEEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2CC2CCN(C(=O)OC)CC2)CC1 1748992655 DDUBRLJNVKSCPU-UHFFFAOYSA-N 472.540 2.381 30 10 JEEE C#CCSCCn1c(-c2cc(Br)cn2C)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1749022926 JRHJBFRJQFZQFR-CQSZACIVSA-N 472.434 2.036 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2cc(OC)c(OC)cc2CC1 1749229434 KNEWYKLSNIVSFV-FQEVSTJZSA-N 490.626 2.395 30 10 JEEE C=CCC(C)(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1749352403 OQJOOEOLLURBBV-KRWDZBQOSA-N 459.595 2.272 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(C#N)C1 1749368130 BNNVZTACFUYFBM-LAUBAEHRSA-N 450.609 2.343 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCS(=O)(=O)C1 1749574695 CPIRLGXMBFYIOM-MSOLQXFVSA-N 481.619 2.200 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCC(NC(=O)c2ccccc2)CC1 1749666140 HZBGUPSGAMEOAL-UHFFFAOYSA-N 459.554 2.350 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1749724432 JGKYRWHLHKLJMM-AQNXPRMDSA-N 473.599 2.356 30 10 JEEE CC(C)C(=O)NCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@](C)(C#N)C1 1750568702 CFUZKCRGSPOUEZ-JOCHJYFZSA-N 458.588 2.251 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCN2CCCCC2)CC1 1760263677 KXHFCZSRFWPBNB-OYRHEFFESA-N 471.650 2.290 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C(C)C)N2CCOCC2)CC1 1760267319 ZIFAGVUAPRBVHW-DEOSSOPVSA-N 489.624 2.139 30 10 JEEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1760307102 NFDSBKCYWSFDBA-LLVKDONJSA-N 469.281 2.160 30 10 JEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1760427822 JFFGOFWCLDSAAU-SFHVURJKSA-N 498.650 2.024 30 10 JEEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1760445671 RQUAJHHMRHMNJQ-IBGZPJMESA-N 469.590 2.208 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)Cc1cnn(C)c1C 1760550580 BWVFFPLHHYLSLK-UHFFFAOYSA-N 459.532 2.132 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCOC(C)(C)[C@@H]1C 1760554597 HXWGYOXHFXZCDJ-QFBILLFUSA-N 462.572 2.395 30 10 JEEE C=CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1760566340 REZCWMAHVRSSLE-YLJYHZDGSA-N 493.655 2.475 30 10 JEEE CCS(=O)(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(OC)CCOC2)CC1 1768201182 FGMFYVNASKSXCH-JOCHJYFZSA-N 459.572 2.026 30 10 JEEE CN(C)CC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1768504896 HKAZAMMKIOUVRQ-UHFFFAOYSA-N 487.612 2.225 30 10 JEEE N#CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccnc(OCC(F)(F)F)c2)CC1 1770744115 FTDIZWMLGGUCFF-MRXNPFEDSA-N 484.504 2.305 30 10 JEEE COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CCN2CCOCC2)ccc1O 1862630172 NZQGQHUETFRWEB-JOCHJYFZSA-N 482.489 2.040 30 10 JEEE C=CCOc1ccccc1[C@H]1C(C(=O)N2CCN(C(=O)OCC)CC2)=C(N)Oc2c1c(C)nn2C 1865227835 RINGIPUYENSPSH-HXUWFJFHSA-N 481.553 2.289 30 10 JEEE C=CCN(CC=C)C(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1c(Cl)cccc1Cl 1865728818 JDSPZTQRNDMUQC-HNNXBMFYSA-N 477.348 2.286 30 10 JEEE COc1ccc(-n2nnc(C#N)c2NC(=O)CN2C(=O)c3ccc(Br)cc3C2=O)cc1 1870155221 BYROYCRCONGFEF-UHFFFAOYSA-N 481.266 2.145 30 10 JEEE N#Cc1ccc(COc2cn(C[C@@H]3CCCO3)c(CN3CCC(C(N)=O)CC3)cc2=O)cc1 1870348978 UZHUMLLJFTUQCO-QFIPXVFZSA-N 450.539 2.175 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)N[C@H](C)c2ccccc2)cn1CCOCCO 1870412379 OHEIOBPQCZRALP-OAQYLSRUSA-N 469.582 2.287 30 10 JEEE C=CCn1c(C(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)cc2c(N(CCOC)CCOC)ncnc21 1873675342 SWBNDGQADHLZHL-UHFFFAOYSA-N 492.536 2.195 30 10 JEEE CCOc1ccc(-c2ccc(=O)n([C@@H](C)C(=O)N3CCN(c4ncccc4C#N)CC3)n2)cc1 1892230358 PUVWQQMXKUELNQ-SFHVURJKSA-N 458.522 2.485 30 10 JEEE CC1(C)OB(c2scnc2CS(=O)(=O)N(CCCN)Cc2ccccc2)OC1(C)C 2247951463 IWTKABNSAJECQQ-UHFFFAOYSA-N 451.423 2.123 30 10 JEEE CC(C)(C)OC(=O)NCc1nnc(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)o1 2255666744 YJMHFGVHISTSHP-UHFFFAOYSA-N 451.314 2.102 30 10 JEEE CC1(C)OB(c2cc(F)ccc2S(=O)(=O)NC2CN(C(=O)OCc3ccccc3)C2)OC1(C)C 2255797000 YEKNKQUXPAPAEO-UHFFFAOYSA-N 490.362 2.424 30 10 JEEE CN(C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)[C@H]1CC[C@@H]1NC(=O)OCc1ccccc1 2255879959 XRBLSHAUXBKVDF-OALUTQOASA-N 466.347 2.305 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H](O)CNC(=O)c1cccc(Cl)c1B1OC(C)(C)C(C)(C)O1 2256093441 DROKMHDGUUNDFV-ZDUSSCGKSA-N 454.760 2.255 30 10 JEEE CCC[C@H](CNS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1)NC(=O)OC(C)(C)C 2267346554 CVPZEUFRNMCRQO-MRXNPFEDSA-N 469.413 2.353 30 10 JEEE C[C@H]1CC[C@H](CNC(=O)C(F)(F)F)N(C(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)C1 2267544568 WKNAXEJHFGTHRG-NWDGAFQWSA-N 461.315 2.362 30 10 JEEE Cc1c(C(=O)NCC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281810246 MTHZOTXYCVFEOW-MRXNPFEDSA-N 462.400 2.405 30 10 JEEE Cc1c(C(=O)N[C@H]2[C@@H]3[C@@H]2CCCN3C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281992079 JTFSVDQJMWMFMX-OIISXLGYSA-N 460.384 2.155 30 10 JEEE Cn1cc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C3(CC3)C2)nc1B1OC(C)(C)C(C)(C)O1 2282040595 LEHOZBAGEHCJTC-OAHLLOKOSA-N 460.384 2.381 30 10 JEEE C[C@@H](NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 2282042765 FIBCYEZRVRFAKL-CVEARBPZSA-N 462.400 2.485 30 10 JEEE CN(C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282045270 ZPFPJBRMMDGSHP-INIZCTEOSA-N 462.400 2.438 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@]2(NS(=O)(=O)Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2282505556 GAKAGOBOKBMCCN-GAJHUEQPSA-N 478.420 2.415 30 10 JEEE Cc1nsc(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 2282593194 MZJUOZKPGRCJOC-RBSFLKMASA-N 479.408 2.115 30 10 JEEE COCC[C@@H](CNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1O)NC(=O)OC(C)(C)C 2282882871 RYPKJZCIMJTFJX-INIZCTEOSA-N 464.368 2.351 30 10 JEEE CC(C)(C)OC(=O)NCc1nc(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2O)n[nH]1 2282979525 BAXCOHPWPBBJRJ-UHFFFAOYSA-N 459.312 2.087 30 10 JEEE C[C@H](NC(=O)[C@@H]1C[C@H](O)CN(C(=O)OC(C)(C)C)C1)c1nscc1B1OC(C)(C)C(C)(C)O1 2283945021 VOYHVUJOEWEEMO-ZNMIVQPWSA-N 481.424 2.237 30 10 JEEE C[C@H](c1nscc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)[C@H]1C[C@H](O)CN1C(=O)OC(C)(C)C 2283954855 BKMCPWRDYOFEIN-IJEWVQPXSA-N 481.424 2.332 30 10 JEEE CC(C)(C)OC(=O)N=c1cc(C(=O)NCCc2ccccc2B2OC(C)(C)C(C)(C)O2)[nH][nH]1 2283958693 CLQSDRQNUKPMJU-UHFFFAOYSA-N 456.352 2.450 30 10 JEEE C[C@H]1OC2(C(=O)NCc3cnc(B4OC(C)(C)C(C)(C)O4)s3)CC1(NC(=O)OC(C)(C)C)C2 2284121667 FBTKNTYSNBNMGQ-ZOEHTXHGSA-N 479.408 2.273 30 10 JEEE COC(=O)[C@@H]1C[C@H](OS(C)(=O)=O)C(=O)[C@H]2[C@]3(C)C[C@@H](c4ccoc4)OC(=O)[C@H]3CC[C@]12C 2333257920 JPQCLBRBPPZECE-QEGHBPMASA-N 468.524 2.413 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2C[C@H]1CN(C(=O)c1ncc(B3OC(C)(C)C(C)(C)O3)cn1)C2 2359266885 BDSVBKLJNRZFOG-YQQAZPJKSA-N 458.368 2.151 30 10 JEEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@]1(C(=O)N=c3nc(B4OC(C)(C)C(C)(C)O4)[nH]s3)C[C@@H]21 2359389982 LFQQKJNUXRLGRR-SSOXJGGVSA-N 476.408 2.376 30 10 JEEE CN(C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2362354884 WXWKOGCAFOTLLP-MRXNPFEDSA-N 462.400 2.438 30 10 JEEE CC(C)(C)OC(=O)N1[C@H]2COC[C@H]1CC(C(=O)O)(N1CCN(Cc3ccccc3)[C@@H](C#N)C1)C2 2373508775 SNFYHXMJHSRJAB-NJYVYQBISA-N 470.570 2.318 30 10 JEEE O=C(NCCCOS(=O)(=O)CC(F)(F)F)c1ccc2c(c1)C(=O)c1ccccc1C2=O 22067342 HMUBMQPTNBWDLZ-UHFFFAOYSA-N 455.410 2.491 30 10 JEEE in-vitro COc1ccc(/C(C)=N/Nc2nc3c(c(=O)[nH]c(=O)n3C)n2C[C@H](O)COc2ccc(C)cc2)cc1 34804983 YUOHGCVCCYQKPX-CTOFZRSPSA-N 492.536 2.016 30 10 JEEE Cc1ncc(/C(O)=C2/C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(F)cc2)c(C)n1 102753512 USMPAZNGMGPXKS-AGGMBTAESA-N 454.502 2.377 30 10 JEEE C#CCN(C(=O)c1cc(Br)ccc1I)[C@@H]1CCS(=O)(=O)C1 221946457 CZTKTTCNGFVPLO-LLVKDONJSA-N 482.137 2.316 30 10 JEEE C[C@@]12CC[C@@H]3[C@H](CC[C@@]4(O)C[C@H](O)CC[C@]34/C=N/N3CCOCC3)[C@@]1(O)CC[C@H]2C1=CC(=O)OC1 504451908 CERLQMOZFXRTGG-NCXBWIQISA-N 488.625 2.017 30 10 JEEE CN1C(=O)COc2ccc(C(=O)C[S@@](=O)CC(=O)Nc3sc4c(c3C#N)CCC4)cc21 586300413 VQOMKEQDBRIIMG-WJOKGBTCSA-N 457.533 2.034 30 10 JEEE COC(=O)c1ccc(C=NNc2nnc(SCCC(=O)Nc3ccccc3NC(C)=O)n2N)cc1 1083998476 RMJVSUKSFQYAAK-UHFFFAOYSA-N 496.553 2.304 30 10 JEEE CN(C)S(=O)(=O)c1ccc(CNC(=O)COc2ccc(C#N)c(Br)c2)cc1 1264558898 HUBSRLIQRXTMMM-UHFFFAOYSA-N 452.330 2.266 30 10 JEEE C#CCCCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1286356174 CMRDULQLMBUAGF-LJQANCHMSA-N 461.563 2.414 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2cccc(C(OC)OC)c2)CC1 1286473597 UPQMHLZTZAZQNI-AREMUKBSSA-N 483.613 2.414 30 10 JEEE C=C(Br)Cn1c(-c2noc3c2COCC3)nnc1N1CCN(CCOC(C)C)CC1 1286539122 VATTXQAMRPARJQ-UHFFFAOYSA-N 481.395 2.461 30 10 JEEE C=CCC(C)(C)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1286668211 POHPBWJHTGBUNW-GOSISDBHSA-N 482.585 2.102 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1cccs1)N1CCOCC1 1286757076 FFSFHDYUNHONJZ-RBUKOAKNSA-N 477.656 2.494 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1286822001 FVVLXIHEZOHALS-IBGZPJMESA-N 471.587 2.015 30 10 JEEE CC(C)CN1CCO[C@H](Cn2c(C(C)C)nnc2N2CCN(c3ccc(C#N)cn3)CC2)C1 1287787308 GBKUOCKKWDKNJA-NRFANRHFSA-N 452.607 2.352 30 10 JEEE CC(C)OCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2([S@](C)=O)CC2)CC1 1288408252 BDALGRJOQCPSEA-YTTGMZPUSA-N 456.616 2.275 30 10 JEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCCC[C@@H]2c2nnc(C3CCOCC3)o2)cc1 1297616848 JGOUTQBLSOVWBE-LJQANCHMSA-N 458.540 2.243 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCCN1CCCCCC1=O)[C@@H]1CCS(=O)(=O)C1 1300482431 FUJIYKGBMYEWSH-OAQYLSRUSA-N 499.637 2.373 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@H](C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 1300502448 URYCLPWEHUMYIW-QUCCMNQESA-N 461.657 2.289 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCCN1CCOCC1 1300555252 VWTNPCIHQSAPFX-UHFFFAOYSA-N 468.989 2.047 30 10 JEEE C#CCN(CC)c1nnc(-c2ccc(F)cc2Br)n1CCS(=O)(=O)N(C)C 1300608945 HKSQVDVZKQISRV-UHFFFAOYSA-N 458.357 2.198 30 10 JEEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCNC(=O)c1ccccc1F 1300626029 MSCSCXBSOZKHDR-UHFFFAOYSA-N 476.560 2.481 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2CC2(C(=O)NCC)CCC2)CC1 1300709755 DTKQBFGWSJLNGM-UHFFFAOYSA-N 454.550 2.058 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2CC(=O)N(C)Cc2ccccc2)CC1 1300712553 UODZMOQJJPNFSW-IBGZPJMESA-N 450.587 2.416 30 10 JEEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1300980985 QKXUGWLYLJNWNL-HNNXBMFYSA-N 454.984 2.056 30 10 JEEE C=C(Cl)Cn1c(-c2ccccc2OC)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1301029962 CHIKJZZPGLQKLJ-UHFFFAOYSA-N 478.962 2.346 30 10 JEEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1301135445 KTYVBFCEKDSIDU-IFMALSPDSA-N 485.677 2.495 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCNC(=O)[C@@H]1CC 1301576412 UQWVXNBMUYVFFU-KRWDZBQOSA-N 496.431 2.332 30 10 JEEE N#Cc1cccc(-c2nnc(N3CCC[C@@H](C(F)(F)F)C3)n2C[C@]2(O)CCS(=O)(=O)C2)c1 1302985928 DAEYHEHHSUKBKQ-VQIMIIECSA-N 469.489 2.145 30 10 JEEE CC(C)OC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCOC2=O)CCO1 1303530840 HYWWPCIPOHEAJC-FQEVSTJZSA-N 454.531 2.289 30 10 JEEE CCc1nc(CCn2c(-c3cccc(C#N)c3)nnc2N(C)CCNS(C)(=O)=O)cs1 1306017490 CQQUKFJJILGPGL-UHFFFAOYSA-N 459.601 2.064 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(Cl)s1 1358889608 DXKZHFUJFSCZGP-DZGCQCFKSA-N 458.009 2.027 30 10 JEEE C#CCN(c1nnc(C(C)C)n1Cc1c(Cl)c(C(F)(F)F)nn1C)[C@H]1CCS(=O)(=O)C1 1358956012 YLVPOKRLHQENKJ-LBPRGKRZSA-N 478.928 2.482 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H](C)CN1CCOCC1 1358987050 QAWFAMYHLBEWJX-KRWDZBQOSA-N 459.392 2.467 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C)N1CCN(CC)CC1 1359017138 VHAWNRVZJALGBL-KNQAVFIVSA-N 467.593 2.034 30 10 JEEE C=C(Br)Cn1c(-c2cnccn2)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 1359081449 BIPTZIXZUIIMDR-ZDUSSCGKSA-N 478.376 2.489 30 10 JEEE C=C(C)COCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C(C)C)CC1 1359127975 GIWOLLZFGCQKBP-UHFFFAOYSA-N 476.647 2.319 30 10 JEEE C=CCCCCn1c(CC)nnc1N1C[C@@H]2[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1359204350 LUCSKIOJDHOJMP-IXDOHACOSA-N 453.609 2.323 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1359334159 VQJUAEZTJAYGEC-HXUWFJFHSA-N 475.615 2.493 30 10 JEEE COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCCC2(C)C)CC1 1504530143 GGCZFIOXKGIQOC-DEOSSOPVSA-N 452.559 2.053 30 10 JEEE C#CCCCCn1c(N2CCC(N3CCN(CC)C3=O)CC2)nnc1[C@]1(OCC)CCOC1 1507573456 GLYYBMWHGOQANS-DEOSSOPVSA-N 458.607 2.460 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCC(C(F)(F)F)CC1 1507652993 KRJCVMHPMYZZHY-ABHNRTSZSA-N 487.548 2.053 30 10 JEEE C#CCN(CC)c1nnc(Cc2cn3ccccc3n2)n1CCOc1ccc(S(C)(=O)=O)cc1 1507691916 JXVLYQFRXOYWJY-UHFFFAOYSA-N 478.578 2.459 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCCOC3)n2Cc2cnc(C)s2)n1 1507716133 HCJILPLAQOVLFA-GOSISDBHSA-N 455.588 2.468 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H](C)N1CCN(CC)CC1 1507764536 QUVROYYTKNQLTR-CJFMBICVSA-N 484.670 2.367 30 10 JEEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2cc(OC)c(OC)cc2CC1 1507852788 DSFWWACGSLGJDJ-AWEZNQCLSA-N 469.995 2.263 30 10 JEEE C=C(Cl)Cn1c(Cc2csc(C)n2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1507868605 CFLFQLBYIBAGQY-AWEZNQCLSA-N 450.012 2.175 30 10 JEEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(Br)ccc1OC 1507967843 LMYKUSJYVNDVLO-LBPRGKRZSA-N 458.382 2.330 30 10 JEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)c2ccccn2)CC1 1508059399 SXFGWAMXZVKRCG-IBGZPJMESA-N 483.573 2.130 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Br)cc3)n2CC(=O)N2CCOCC2)C1 1508118399 RSJCOGLNQYEMIF-SFHVURJKSA-N 476.375 2.348 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2ccc(Cl)s2)C1 1508140076 GGGVUGHDPIFVLM-KGLIPLIRSA-N 486.019 2.123 30 10 JEEE CNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2csc([C@@H](C)OC)n2)CC1 1517606826 ADTSVPNYDKMLOY-OAHLLOKOSA-N 466.571 2.490 30 10 JEEE COC(=O)N1CCC(Cn2c(CC(C)C)nnc2N2CCN(c3nccnc3C#N)C[C@@H]2C)CC1 1517699392 FMGLCRPWCRBZNA-SFHVURJKSA-N 481.605 2.332 30 10 JEEE COCCN(C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)c1c(O)nc(=O)n(Cc2ccccc2)c1N 1525279244 BRTBJPRONFJGMU-VQTJNVASSA-N 459.506 2.234 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CCS(=O)(=O)N(C)C 1538992216 NKDSDZWULDSZGL-CYBMUJFWSA-N 470.393 2.066 30 10 JEEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1[C@@H]1C[C@H]1C(C)C)[C@H]1CCS(=O)(=O)C1 1539205686 JGJOJDJCCZJVNJ-PSHVLCQKSA-N 450.605 2.162 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1CCC1CC1)[C@H]1CCS(=O)(=O)C1 1539205729 JVUGFJFTQDQFGU-INIZCTEOSA-N 466.405 2.473 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1CCOC[C@@H]1OC 1539289881 ABSRJZVDWXLKRQ-FPOVZHCZSA-N 469.973 2.376 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCN2CCOCC2(C)C)CC1 1539461558 HOVPDQPNYWKLSQ-UHFFFAOYSA-N 473.021 2.377 30 10 JEEE C#CCSCCn1c(COc2ccc(Br)cc2)nnc1N1CCNC(=O)CC1 1539525885 DQJCSCOUFUXALB-UHFFFAOYSA-N 464.389 2.312 30 10 JEEE C=CCC(C)(C)Cn1c(-c2cccc(OC)c2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1539906655 SBTFUXCBKJOIPO-UHFFFAOYSA-N 494.600 2.023 30 10 JEEE C=CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1539954442 YWBNIFYMPBZDBS-UHFFFAOYSA-N 486.598 2.226 30 10 JEEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(Oc2c(OC)cccc2OC)CC1 1540858251 ODILQQDFLIBGPN-INIZCTEOSA-N 462.572 2.431 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(CNC(C)=O)CC1 1540880111 YEYZKLIVAOTFIZ-UHFFFAOYSA-N 466.586 2.480 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2c[nH]c3ccccc23)nnc1N(C)CCc1cnccn1 1540902060 ZAOCVSVHYDSSHD-UHFFFAOYSA-N 451.556 2.496 30 10 JEEE Cc1nc(COc2ccc(NC(=O)C[C@H](C)/N=C3/NS(=O)(=O)c4ccccc43)cc2)no1 1543302290 BWVLOGYEVBXWHV-ZDUSSCGKSA-N 455.496 2.413 30 10 JEEE Cc1nc(C#N)c(N2CCC(C(=O)NCc3cccc(OCCN4CCOCC4)c3)CC2)o1 1544012168 HGOSOBNBGUGJLP-UHFFFAOYSA-N 453.543 2.099 30 10 JEEE N#Cc1ccc(N2CCC3(CC2)CN(C(=O)CN2CCCC2=O)C[C@H]3CO)cc1C(F)(F)F 1548406729 UFEXIACGMCDCNB-KRWDZBQOSA-N 464.488 2.237 30 10 JEEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CCCSC2)c1 1552880271 GGEZOCGREIETPU-AEFFLSMTSA-N 476.628 2.067 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1587599220 LKIKWSQAEALOCD-SJLPKXTDSA-N 461.588 2.234 30 10 JEEE C#CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCO[C@H](CNC(C)=O)C1 1587855865 CVCVFCZJUROFON-HXUWFJFHSA-N 474.606 2.147 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccnc2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1588210571 JYNKLLZGEYBESZ-SFTDATJTSA-N 452.584 2.007 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCN(CCC)C1 1588629043 UZWIVIQATZAXEE-IBGZPJMESA-N 463.586 2.010 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N(C)C2CCCCC2)CC1 1588864317 CIJAGDFCOHONEG-UHFFFAOYSA-N 475.597 2.275 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2CCC(=O)N[C@H](C)CC)CC1 1588947739 VJIZOYXKVNJSSR-QGZVFWFLSA-N 486.567 2.418 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC1(COC)CCCC1 1589215604 BSJHGOSIUQCUMX-SIKLNZKXSA-N 479.647 2.200 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1589545106 LJXXPIXOJHOBBH-OKYOBFRVSA-N 495.646 2.265 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccccc2OC)nnc1N1CC[C@H](S(C)(=O)=O)C1 1589571617 ZOKVLSPQINWGMK-SPEDKVCISA-N 476.599 2.470 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCOC[C@@H]1OC 1595239712 QQOUZTLUOGNELK-BDTNDASRSA-N 474.627 2.467 30 10 JEEE C=CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1595878175 JVMNGESKBRIJMZ-PMACEKPBSA-N 462.664 2.224 30 10 JEEE COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(SC)CCOCC2)CC1 1619546582 AOGPDXDMPVNMAC-UHFFFAOYSA-N 470.599 2.024 30 10 JEEE COCCN(CCC#N)c1nnc([C@@H]2COc3ccccc3O2)n1CC(C)(C)N1CCOCC1 1619912530 GAAGKGWOSSZDQA-NRFANRHFSA-N 470.574 2.268 30 10 JEEE COCCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1cc(Br)c(C#N)cc1F 1621773918 HXWOZFNVZJADNQ-UHFFFAOYSA-N 451.314 2.439 30 10 JEEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H](C)[C@H](NC(=O)OC(C)(C)C)c2ccccc2)CC1 1627015248 LTNNLKYHJPFGOP-UGKGYDQZSA-N 456.587 2.172 30 10 JEEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(NS(=O)(=O)CCC)cc2F)c1 1636866156 ZZSGOGQHIYNHDS-UHFFFAOYSA-N 453.517 2.141 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2C[C@@H](C)CN2CCOCC2)c1 1689872238 SCIZUCMOQFBIMQ-RBBKRZOGSA-N 480.613 2.197 30 10 JEEE C#CCN(C)c1nnc(Cc2ccccc2OC)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1689969271 QWKGBNGGOIIPRW-VQTJNVASSA-N 457.600 2.151 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CCC(F)(F)C1)[C@H]1CCS(=O)(=O)C1 1689982857 VXLBMLSYONRRCR-LQWHRVPQSA-N 486.585 2.381 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@@H]1CCCOC1)[C@H]1CCS(=O)(=O)C1 1689996925 RHMXHYFILQODCH-ROUUACIJSA-N 462.547 2.050 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@](C)(O)c1ccco1 1690042736 ADNZPIKNEPLBJI-QHCPKHFHSA-N 466.567 2.202 30 10 JEEE C#CCN(CC#CC)c1nnc(COc2ccc(Br)cc2)n1CC(=O)NCC=C 1690053525 CODHRTLYXBDQME-UHFFFAOYSA-N 456.344 2.385 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2OC)n1CC1(S(C)(=O)=O)CC1 1690098066 UGRCGBOFOFCBRF-UHFFFAOYSA-N 452.964 2.270 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCCN(C)CC(F)(F)F)CC1 1690142127 IULVPDWNQGFPIE-UHFFFAOYSA-N 463.508 2.190 30 10 JEEE C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccccc21 1690228622 BCOJMQLAUGCVOP-MRXNPFEDSA-N 468.377 2.214 30 10 JEEE C=C(C)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(CCOC)[C@H](C)C1 1690275981 BIJZYTMCCFDXHB-QGZVFWFLSA-N 461.636 2.280 30 10 JEEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CN(CC(C)C)CCO1 1690523812 PNPONFGWKNVQOS-GOSISDBHSA-N 451.575 2.171 30 10 JEEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CCC(N2CCCC2=O)CC1 1690675302 VUTJMZALZWBRIL-UHFFFAOYSA-N 450.587 2.347 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(CC(=O)NC)CC1 1690681603 UYQWSCOGJRRRAT-UHFFFAOYSA-N 466.586 2.480 30 10 JEEE Cc1ccc(NC(=O)c2nnc(N3CCO[C@H](C#N)C3)n2CCNC(=O)c2cccs2)cc1C 1693119526 FYIJKNPQKXHKRN-GOSISDBHSA-N 479.566 2.368 30 10 JEEE N#C[C@@]1(F)CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCC2CCN(CC(F)(F)F)CC2)C1 1698483601 GIQMRPYBNCPNGG-KXBFYZLASA-N 457.476 2.336 30 10 JEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 1705508995 AJPVPHVUDMADPN-KRWDZBQOSA-N 493.033 2.194 30 10 JEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1705516567 DYSCECQWIYSRMQ-ZWKOTPCHSA-N 471.574 2.286 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1CC[C@H](C(F)F)N1CCOCC1 1705575123 BKWVKJZCYIBOLE-QGZVFWFLSA-N 495.372 2.475 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC1(CS(C)(=O)=O)CC1 1705580619 MVBUTFQUOOTGPQ-UHFFFAOYSA-N 492.605 2.134 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC2CCN(CC(F)(F)F)CC2)CC1 1705635017 OZYUGULJZZRFOC-HSZRJFAPSA-N 498.594 2.348 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2nccc(C(F)F)n2)CC1 1705647590 HKSKORJUKQPILV-KRWDZBQOSA-N 459.501 2.261 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCCN(C)CC(F)(F)F)CC1 1705648931 DLBMQIBGQHSWEW-UHFFFAOYSA-N 451.497 2.123 30 10 JEEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1705655204 HGGGKHUPBMMJRG-UZLBHIALSA-N 455.584 2.291 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@]1(O)CCSC1 1705670032 GKRBMXUEVRDBKK-FGZHOGPDSA-N 475.640 2.056 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@](C)(C(N)=O)C1 1705709177 LUENJZPRXGCELQ-ZHRMCQFGSA-N 450.543 2.412 30 10 JEEE C=CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1705886203 AVOWLGKMVKFXQI-AWEZNQCLSA-N 485.536 2.237 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1705938081 MJIPSBWWQNFVNX-VQTJNVASSA-N 473.599 2.014 30 10 JEEE CCN(CC)[C@@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1710012958 GAAPMIGZVLIPKT-NZQKXSOJSA-N 499.685 2.104 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCCOCC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1722369331 XVJRUBBYIDFWEX-OAQYLSRUSA-N 487.626 2.109 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(COC(C)(C)C)c1 1722413366 MAXNPWNJWXTFQX-OAQYLSRUSA-N 489.642 2.434 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@H](C)N2CCOCC2)CC1 1722444074 UFWKYDVAELEIGN-SFHVURJKSA-N 471.005 2.285 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](C)c2ncc(C)s2)CC1 1722445732 BGBBNXGKCMZBPW-HNNXBMFYSA-N 452.588 2.213 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC(=O)NC2CCCC2)CC1 1722460279 WZYIMILPFPOTDN-LJQANCHMSA-N 493.699 2.212 30 10 JEEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1722536731 ZIPDZADNBBJXTC-VGOFRKELSA-N 461.588 2.247 30 10 JEEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@H](c2nc(C)no2)C1 1722683709 WVTRJWUCLIQDHV-KRWDZBQOSA-N 457.560 2.457 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(C)(C)N2CCCCC2)C1 1722718104 HCEMDZANGGPKML-RTBURBONSA-N 451.637 2.226 30 10 JEEE CCS(=O)(=O)N(C)C1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2c(C)nn(C)c2C)CC1 1729211754 GRGLLENDCRWKCE-UHFFFAOYSA-N 496.641 2.466 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccccc1Br)[C@@H]1CCS(=O)(=O)C1 1740627032 OCRPUDGIZGWYSM-DLBZAZTESA-N 479.400 2.220 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1C[C@@H]1CCN(CC)C1)[C@H]1CCS(=O)(=O)C1 1740628123 NOWQBJKYQMNGNH-YADHBBJMSA-N 485.654 2.442 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(Br)s2)n1Cc1cn(C2COC2)nn1 1740650114 PMUWDBYXNYQMRJ-UHFFFAOYSA-N 472.372 2.443 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(COC)CCOCC1 1740664198 IIFQJVYUWPDBBC-UHFFFAOYSA-N 475.615 2.098 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)Nc2ccccn2)n1C[C@@]1(O)CCO[C@H]1C 1740675456 CMJYGRTYSBZLRF-XDHUDOTRSA-N 464.501 2.244 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCCN2CCOCC2)CC1 1740702586 SQGRCCANKPXEHA-HXUWFJFHSA-N 498.603 2.245 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1740709171 BVOQLLHIFJXWAW-VGOFRKELSA-N 456.572 2.066 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCN2CCCC[C@H]2C1 1740953384 DQDWPTFJIDYXBL-INIZCTEOSA-N 462.396 2.023 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCCN(C(=O)C2CC2)CC1 1740963493 MKSIXMFKTHRTBW-UHFFFAOYSA-N 466.586 2.225 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCCC(=O)N(C)C)C1 1740980733 MGAZQBFJXOHOEY-RTBURBONSA-N 492.621 2.236 30 10 JEEE CC(=O)NCCN(Cc1ccsc1)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(O)CCN(C)C1 1741122367 AWNBZPAEEDKXEB-DEOSSOPVSA-N 479.610 2.088 30 10 JEEE CC(C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCCN1CCCCC1=O 1741371560 DLAFLQDYLYGHQE-GOSISDBHSA-N 451.579 2.181 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(=O)N(C)C1CCCCC1 1748663991 BVMKPCCRKSORRY-QGZVFWFLSA-N 471.631 2.487 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1CCN(C(=O)OC)CC1 1748673059 YPRWJZLKVIDXFJ-GOSISDBHSA-N 466.590 2.388 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC1(OC)CCCCC1)[C@H]1CCS(=O)(=O)C1 1748815976 VCCKXRGMNOBMOV-OALUTQOASA-N 450.605 2.496 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2Cc2ccc(OC)nc2)CC1 1748972326 GCDLDSQOVVQCQV-UHFFFAOYSA-N 479.972 2.069 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCCSC)CC1 1748989877 RAMSQRQREDWWEC-SFHVURJKSA-N 464.636 2.095 30 10 JEEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@@H](C(C)C)C1 1749032324 CNUUMLHZBQWORJ-LJQANCHMSA-N 452.584 2.420 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(OC[C@H]2CCOC2)CC1 1749103815 DSFAMCYHPUFOHV-JKSUJKDBSA-N 489.436 2.111 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC(C)C)C(C)C 1749131714 VACCECWHVKCYIG-AQNXPRMDSA-N 469.652 2.463 30 10 JEEE C=C(C)Cn1c([C@H]2CCOC2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)C2(CCS(=O)(=O)CC2)C1 1749193448 JKHPWCTZUOKWTO-ZWKOTPCHSA-N 495.646 2.266 30 10 JEEE C=C(C)Cn1c(Cc2ccccc2OC)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1749196483 PVLGFTARZNBUJK-SIKLNZKXSA-N 452.603 2.442 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCN2CCCC[C@H]2C)CC1 1749342729 MWYTYHPILRJCEU-CTNGQTDRSA-N 480.679 2.278 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1749664329 KMQRIKCHFIYWCW-HXUWFJFHSA-N 479.629 2.125 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1CCC1 1749691118 ZBJWLDCFORJETQ-NRFANRHFSA-N 475.615 2.460 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 1749731407 CRDQZGKXTBJWHF-MRXNPFEDSA-N 481.644 2.381 30 10 JEEE N#Cc1ccc(CN2CCN(c3nnc([C@@H]4CCCCO4)n3CC(=O)NCC(F)F)CC2)cc1 1750383803 DGBZIQHHOGAKPZ-IBGZPJMESA-N 473.528 2.095 30 10 JEEE Cc1csc([C@@H](C)Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(CCC#N)CC2CC2)n1 1751739245 DLLBOFBXHWAVMR-YJBOKZPZSA-N 493.659 2.310 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1760102888 UNZUXNJPJWSDTK-OALUTQOASA-N 494.621 2.475 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@](C)(OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1760182680 IHEMARJFPRPSCJ-NTKDMRAZSA-N 488.610 2.404 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@@H]2[C@@H](C)CCN2C(=O)OC(C)(C)C)CC1 1760273071 HNHCTEWAXVFPOL-AZUAARDMSA-N 488.633 2.426 30 10 JEEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCCN(c2nccc(OCC)n2)CC1 1760282124 WIKXBXRJOKCQJI-IBGZPJMESA-N 471.631 2.444 30 10 JEEE C=C(C)Cn1c(N2CCN(CC(=O)N(C)C3CCCCC3)CC2)nnc1[C@@]1(OCC)CCOC1 1760349617 SOLSKGKQFJFHGI-RUZDIDTESA-N 474.650 2.419 30 10 JEEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 1760358009 QLWKXGHGQWBNEZ-FQEVSTJZSA-N 457.550 2.405 30 10 JEEE C=C(C)COCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1760360018 OFERQWHBSOWKCQ-UHFFFAOYSA-N 498.628 2.240 30 10 JEEE C=CC1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1760399148 AYDHSFGRPPFSMN-KRWDZBQOSA-N 454.531 2.353 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(CC(F)F)CC1 1760515942 HWWNFLSHLZAXBW-HNNXBMFYSA-N 452.481 2.247 30 10 JEEE CCNC(=O)C1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@@H](CNC(C)=O)C2)CCC1 1765616529 APBJTOAZBWUIDN-NRFANRHFSA-N 493.612 2.388 30 10 JEEE CCCN1CC[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(OCC(N)=O)CC2)C1 1766078694 HAVMHENWYXMBBM-IBGZPJMESA-N 451.575 2.019 30 10 JEEE COc1ccc([N+](=O)[O-])c(C(=O)Nc2nnc(CCC(=O)Nc3ccccc3C#N)c(O)n2)c1 1860896491 RSOGIDZHOUWSJQ-UHFFFAOYSA-N 463.410 2.189 30 10 JEEE O=C(C1=C(O)C(=O)N(CCCN2CCCC2=O)[C@H]1c1ccc(O)c(O)c1)c1ccc2c(c1)OCCO2 1862606855 BLQFHOQXLHQQKM-QHCPKHFHSA-N 494.500 2.460 30 10 JEEE C=CCOc1ccccc1[C@H]1C(C(=O)NCCCNC=O)=C(N)Oc2c1c(C(F)(F)F)nn2CC 1864325075 DMESPFXYQXAKKR-MRXNPFEDSA-N 493.486 2.434 30 10 JEEE COCCN(CCOC)C(=O)[C@@H](CSCc1ccccc1)N=C1NS(=O)(=O)c2ccccc21 1869928454 YXNJHPJDRGUDKQ-HXUWFJFHSA-N 491.635 2.149 30 10 JEEE CC(=O)Nc1ccc(-n2nnc(C#N)c2NC(=O)CN2C(=O)COc3ccc(Cl)cc32)cc1 1870156420 MCPYMUVYBJHRJW-UHFFFAOYSA-N 465.857 2.115 30 10 JEEE C#CCOc1cn(CCOc2ccc(OC)cc2)c(CN2CCN(c3ncccn3)CC2)cc1=O 1870562388 DHAUEUXXGICWJG-UHFFFAOYSA-N 475.549 2.060 30 10 JEEE C#CCOc1cn(Cc2ccc(S(N)(=O)=O)cc2)c(CNc2ccc3nc[nH]c3c2)cc1=O 1871008523 ZMKDOVUGELMORK-UHFFFAOYSA-N 463.519 2.044 30 10 JEEE CC(=O)NCc1nnc(SCC(=O)Nc2ccccc2F)n1/N=C/c1ccc(O)c(O)c1 1874431146 KZJFFAYZYIDYCU-NUGSKGIGSA-N 458.475 2.078 30 10 JEEE CN1CCN(CC#CCOC2CCN(S(=O)(=O)Cc3ccc(C(F)(F)F)cc3)CC2)CC1 1889642496 MADXZLXBJCRVQY-UHFFFAOYSA-N 473.561 2.267 30 10 JEEE CC(C)N(CC#CCNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1)C(C)C 1891490655 MJGSLMSNFQSITI-NRFANRHFSA-N 464.588 2.376 30 10 JEEE COc1ccc([C@H]2[C@H](C(=O)N3CCC(COc4nccnc4C#N)CC3)OCC(=O)N2C(C)C)cc1 1891580129 LCUMEVLETJXVSU-BJKOFHAPSA-N 493.564 2.351 30 10 JEEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)N2C[C@H](O)CC23CN(C(=O)OC(C)(C)C)C3)C1 2066531235 REXKEWUHGPPOBS-MRXNPFEDSA-N 451.564 2.430 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)CCO1 2255753647 RMDAZPGGKHFEDX-ZDUSSCGKSA-N 474.410 2.267 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(NS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2255796207 NDFGOGHPRBCPRO-ZUOKHONESA-N 470.422 2.335 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CC1CCC1)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2256669895 WSBARXMZQILMSW-CYBMUJFWSA-N 452.386 2.281 30 10 JEEE Cn1nc(C(=O)N2CCC[C@@H](NC(=O)OCc3ccccc3)C2)cc1B1OC(C)(C)C(C)(C)O1 2264012267 UCPUAVQBAQFLRP-GOSISDBHSA-N 468.363 2.250 30 10 JEEE COC(=O)[C@@H](CCNC(=O)c1csc(B2OC(C)(C)C(C)(C)O2)c1)NC(=O)OC(C)(C)C 2267281461 VDNWXMPGZINDBZ-CQSZACIVSA-N 468.381 2.234 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2267360321 TWYAKHXJAUTSOA-HNNXBMFYSA-N 470.372 2.413 30 10 JEEE CC1(C)OB(c2cncc(S(=O)(=O)N[C@@H]3CCCN(Cc4ccccc4)C3)c2)OC1(C)C 2267378612 NAMCLOFXDNHRGC-HXUWFJFHSA-N 457.405 2.324 30 10 JEEE CN(Cc1sccc1B1OC(C)(C)C(C)(C)O1)C(=O)[C@H]1C[C@H](O)CN1C(=O)OC(C)(C)C 2268630511 LJTYJQGIFQHXDL-GOEBONIOSA-N 466.409 2.376 30 10 JEEE CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H]2C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2268648271 XKVUKZFARBNVCQ-CYBMUJFWSA-N 464.397 2.235 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@H](O)CN(C(=O)c2cccc(F)c2B2OC(C)(C)C(C)(C)O2)C1 2281763123 LUNHPUQIKQPALA-GJZGRUSLSA-N 464.343 2.225 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@]2(CCNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2281985680 LJKUNPIIPNQZIG-CMJOXMDJSA-N 460.384 2.476 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2CN(C(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)C[C@H]21 2281990737 QROFPXZZBYWBQI-BFYDXBDKSA-N 460.384 2.474 30 10 JEEE Cn1nc(C(=O)N2C[C@@H]3C[C@H]3[C@H]2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2282045411 WKAPVSQLHPLXIZ-BFHYXJOUSA-N 480.802 2.358 30 10 JEEE CO[C@@H]1C[C@@H](CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)N(C(=O)OC(C)(C)C)C1 2282174753 RZPHPXFMYKEBEG-DLBZAZTESA-N 461.368 2.135 30 10 JEEE CC1(C)OB(c2cncc(C(=O)NC[C@@H]3CN(Cc4ccccc4)CCCO3)c2)OC1(C)C 2282181851 LTKAFIBVGRBFGO-JOCHJYFZSA-N 451.376 2.402 30 10 JEEE Cc1nc(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)s1 2282514981 LGHAWDJDTMPRNB-FBJOKTGGSA-N 479.408 2.305 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCc2c[nH][nH]c2=NC(=O)OC(C)(C)C)n1 2282550378 YNAHHINIPDLURB-UHFFFAOYSA-N 457.340 2.111 30 10 JEEE Cc1nn(C)c(C(=O)N2C[C@H](C)C[C@@H](NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2282558052 DRGSYQSFEHHVHP-GDBMZVCRSA-N 462.400 2.403 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2O)CCO1 2282884640 QSRQTYNQMQTCLW-INIZCTEOSA-N 462.352 2.057 30 10 JEEE CC(C)(C)OC(=O)N1CC(CO)(C(=O)Nc2ccc(F)c(F)c2B2OC(C)(C)C(C)(C)O2)C1 2283971005 IFGXPYXYTCUDRE-UHFFFAOYSA-N 468.306 2.432 30 10 JEEE CC1(C)OB(c2ccc(CS(=O)(=O)N[C@H](COCc3ccccc3)C(=O)O)cc2)OC1(C)C 2284396620 XCJAQSCGJLUEPM-HXUWFJFHSA-N 475.372 2.075 30 10 JEEE COc1ccc(N2C[C@@H](c3nnc(SCC(N)=O)n3N=Cc3ccc(N(C)C)cc3)CC2=O)cc1 2325880768 KGIZREOKNIMLDD-KRWDZBQOSA-N 493.593 2.333 30 10 JEEE COC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)(C)C)C2)n1N=Cc1ccc([N+](=O)[O-])cc1 2327870343 YWGOAPQMZBNBCL-CQSZACIVSA-N 460.516 2.448 30 10 JEEE O=C(CN1C(=O)c2ccccc2C1=O)N[C@@H]1CCN[C@@H](C(=O)C=Cc2ccc(Cl)cc2)C1 2328071911 QMWOOSYOMJKBDR-YLJYHZDGSA-N 451.910 2.455 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)OCc1ccccc1 2334263367 DRWPMYODTJSPTF-CMKODMSKSA-N 480.374 2.167 30 10 JEEE C=CCn1c(=S)sc2c(=O)n(CC(=O)N3CCN(C(=O)c4cccs4)CC3)cnc21 12516972 IQDQLAYMGDDVTN-UHFFFAOYSA-N 461.594 2.221 30 10 JEEE COc1cc(CNC(=O)CSc2n[nH]c(N/N=C/c3cc([N+](=O)[O-])ccc3O)n2)cc(OC)c1 58997288 IEAPSIWXFSCNQO-LSHDLFTRSA-N 487.498 2.290 30 10 JEEE COc1cc2c(cc1OC)CN(C(=O)CSc1n[nH]c(N/N=C/c3cccnc3)n1)CC2 59015974 HQMXQAJOKBDWPU-FOKLQQMPSA-N 453.528 2.340 30 10 JEEE COC(=O)c1[nH]c(C)c(/C(O)=C2/C(=O)C(=O)N(CCN(C)C)[C@H]2c2cccc(OC)c2OC)c1C 102507897 OSTXKLNZRCWPBJ-HUZQBFDWSA-N 485.537 2.419 30 10 JEEE CCOC(=O)[C@@H]1CCCN(c2nc(O)c3c(n2)NC(=O)[C@H](C#N)[C@H]3c2cccc([N+](=O)[O-])c2)C1 256034301 ZYGPZHGEAWRBJE-FVQBIDKESA-N 466.454 2.094 30 10 JEEE N#Cc1cccc(NC(=O)C2CCN(C(=O)CCCC[C@@H]3SC[C@H]4NC(=O)N[C@@H]43)CC2)c1 502251918 HQKXWXBJPPLQEI-DYXWJJEUSA-N 455.584 2.461 30 10 JEEE CC1CCC(C#N)(N(C)C(=O)[C@H](C)OC(=O)[C@H]2C[C@@H](O)CN2C(=O)c2ccc(F)cc2)CC1 725950384 DIIDEKCXEISYHI-WSTCGWGRSA-N 459.518 2.264 30 10 JEEE Cc1csc(=O)n1CCC(=O)[C@H](C#N)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 916947855 BOCDPBKYZBPPTA-SFHVURJKSA-N 476.580 2.131 30 10 JEEE COc1ccccc1CNC(=O)CSc1n[nH]c(NN=Cc2cc([N+](=O)[O-])ccc2O)n1 1084261881 KKVHLGOIIJMZMM-UHFFFAOYSA-N 457.472 2.282 30 10 JEEE COc1cc2c(cc1OC)CN(C(=O)CSc1n[nH]c(NN=Cc3c(C)nn(C)c3C)n1)CC2 1084589267 VXIMUNMDPCXAGL-UHFFFAOYSA-N 484.586 2.295 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)CCn2cc(C#N)c(O)nc2=O)[C@@H](c2ccccc2)C1 1161126509 GOEFEUKYHJWBSK-GOSISDBHSA-N 453.499 2.031 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](NS(=O)(=O)c2cccc(Br)c2C#N)[C@H](C#N)C1 1211464095 IEIATLIJIITQIA-BXUZGUMPSA-N 455.334 2.358 30 10 JEEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1286348513 KUQHPSOHUAOLNX-HNNXBMFYSA-N 487.486 2.110 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1CC1(C)CCOCC1)[C@H]1CCS(=O)(=O)C1 1286389244 ZUDYPVCCQKPGBU-IBGZPJMESA-N 488.610 2.406 30 10 JEEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(OC(F)F)c(OCC)c2)CC1 1286477163 QAPDBHQPBAEDLU-UHFFFAOYSA-N 471.512 2.482 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CC2(SC)CCN(C)CC2)CC1 1286494556 VJFVFFNKZWFOMH-FQEVSTJZSA-N 474.675 2.313 30 10 JEEE C=CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1286770823 JRAJZAQMSDCDQD-QZTJIDSGSA-N 479.578 2.374 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 1286782116 KRNVXFRRVGVDHF-LJQANCHMSA-N 450.543 2.141 30 10 JEEE C=CCNC(=O)Cn1c(Cn2ccc3ccccc32)nnc1N(C)C1CCC(NC(C)=O)CC1 1286790225 LEOVSHUIBMUZMD-UHFFFAOYSA-N 463.586 2.467 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1286796889 PJOYQLWUZQHWPN-IBGZPJMESA-N 475.615 2.433 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCNC(=O)c2cccc(C)c2)C1 1286798614 MCORGBRVLQQKSB-FQEVSTJZSA-N 452.559 2.034 30 10 JEEE CCC[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 1296471334 BZGLIPBOTGNLPQ-FQEVSTJZSA-N 455.538 2.056 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H](C(CC)CC)N(C)C)[C@@H]1CCS(=O)(=O)C1 1300504252 KXBAMPBYWQYRLI-HSALFYBXSA-N 451.637 2.123 30 10 JEEE C#CCN(CC#C)c1nnc([C@H](C)Oc2ccccc2F)n1CCS(=O)(=O)N1CCSCC1 1300513070 VJMKZEHRJZZKEF-SFHVURJKSA-N 491.614 2.009 30 10 JEEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@](C)(O)c1ccco1 1300545460 QKDHNRQGQHWLHU-MHZLTWQESA-N 472.593 2.216 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCCNC(C)=O 1300578915 KHJRLTDFPAATCO-UHFFFAOYSA-N 459.554 2.225 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cn2nc(C)cc2C)n1C[C@@]1(O)CCO[C@H]1C 1300649226 MNSRMYXVBZWDBW-CYFREDJKSA-N 452.534 2.459 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nnc(CC)s1 1300649984 QIVXCWQJILKUOI-INIZCTEOSA-N 474.587 2.421 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(Br)c3)n2CC(=O)NCC(F)(F)F)CC1 1300685499 PQYFJFRODIARBM-UHFFFAOYSA-N 485.308 2.141 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCC(=O)N(C)C)CC1 1300716090 IYGQNGHADVJIPX-KRWDZBQOSA-N 470.549 2.001 30 10 JEEE COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2nc(C)c(C)s2)CC1 1300882232 GXENTFIVYHGJHM-UHFFFAOYSA-N 465.583 2.428 30 10 JEEE C=C(C)CN(CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@H]1COCCO1 1300921443 OYMINDOUAIFWRV-HSZRJFAPSA-N 454.619 2.461 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](N2CCCCC2)C1 1301150803 APBRPIVRZRAKMO-VQTJNVASSA-N 480.679 2.278 30 10 JEEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1301197139 FCXITBXTLDKNKE-FQEVSTJZSA-N 457.623 2.003 30 10 JEEE C=CCCOCCn1c(N2CCO[C@]3(CCO[C@H]3C)C2)nnc1[C@]1(OC(C)C)CCOC1 1301261438 DTNAMKMDHBWCKY-PMOQBDJRSA-N 450.580 2.296 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(C)nc3ccccc23)nnc1N1CC(=O)N(C)C[C@H]1C 1301569565 ZFTYLFXOPCDQIG-QGZVFWFLSA-N 468.583 2.069 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCCN(C(=O)c2ccsc2)CC1 1301569571 ZJSWNLGCJYHOEI-UHFFFAOYSA-N 451.618 2.416 30 10 JEEE Cc1cc(C)cc(OCc2nnc(N3CCC[C@](C)(C#N)C3)n2CC(=O)N2CCOCC2)c1 1304176153 HTHNMKQSAFRWHA-XMMPIXPASA-N 452.559 2.463 30 10 JEEE N#Cc1c2c(n(-c3ccccc3)c1NC(=O)CN1CCC(CS(N)(=O)=O)CC1)CCCC2 1307649658 GWZCFRKNCBISRE-UHFFFAOYSA-N 455.584 2.167 30 10 JEEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1358903911 NOCIFXPKBKPIPU-UHFFFAOYSA-N 455.651 2.312 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2CCC(=O)N[C@H](C)CC)c1 1358903950 OXKHPDWKPCBFLH-YLJYHZDGSA-N 452.559 2.491 30 10 JEEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1358929436 ZYKQOMSPCDRBIV-FQEVSTJZSA-N 471.631 2.269 30 10 JEEE C#CCCCn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 1358931919 SLNFHGOWNZGFBV-GMAHTHKFSA-N 463.630 2.494 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccccc1CN1CCCC1=O)[C@H]1CCS(=O)(=O)C1 1358955612 POMWDLPHRRFUDF-NRFANRHFSA-N 483.638 2.373 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1Cc1ncnn1C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1358966661 TVGWDSCNBFIQBH-HXUWFJFHSA-N 481.626 2.085 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@H](OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1358967016 BMKFHXIVHGCWRM-XLIONFOSSA-N 462.547 2.048 30 10 JEEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2C[C@@H](CC)NC(=O)OC(C)(C)C)CC1 1359036796 JLFFOFAOWPVWHZ-HXUWFJFHSA-N 453.591 2.322 30 10 JEEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)c1ccc(F)c(F)c1 1359056941 OBRXPSZGSMXZPH-KXBFYZLASA-N 499.609 2.453 30 10 JEEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2ncccn2)CC1 1359089721 NRVIJXFVEFIHMW-HOTGVXAUSA-N 464.368 2.027 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccc2OC)nnc1N1CCN(CC(=O)NCC)CC1 1359101695 RCTWYWKQOYZJKH-BWKNWUBXSA-N 482.629 2.117 30 10 JEEE C=CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1359286234 ABYOJHLEXQKIJV-CQSZACIVSA-N 457.526 2.497 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(Cc1ccc(Cl)cc1)Cc1cnn(C)c1 1359298757 KVZGODUXUVKMTF-LJQANCHMSA-N 482.976 2.125 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cn(CCCC)nc2C)C1 1359321578 IQDHCBXMGJXIRF-AZUAARDMSA-N 462.620 2.315 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1359334299 AAVVHNQJUXYEBD-UHFFFAOYSA-N 466.652 2.242 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC1CCN(c2ccncc2)CC1 1360693369 HOALCOXAZFQHFO-JPYJTQIMSA-N 486.646 2.330 30 10 JEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCCN2Cc3ccccc3OCC2=O)cc1 1465258959 GKRZYACOCMKYLA-UHFFFAOYSA-N 458.540 2.036 30 10 JEEE CN(C)S(=O)(=O)c1ccccc1CNS(=O)(=O)c1ccc(C#N)c(Br)c1 1474806617 CFKVEXJEILRZJD-UHFFFAOYSA-N 458.359 2.050 30 10 JEEE CCOC(=O)c1c(NC(=O)N[C@H]2CC(=O)N(c3ccccc3F)C2)c(C#N)cn1CCOC 1476378473 HXKQIMLHTNKFMJ-HNNXBMFYSA-N 457.462 2.249 30 10 JEEE Cc1nn(C)c(N2CCN(C(=O)NCC3(N4CCOC(C)(C)C4)CCCCC3)CC2)c1C#N 1477843573 CKDAZZGAMCXNCM-UHFFFAOYSA-N 457.623 2.246 30 10 JEEE CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCN(C)c2ccccc2F)CCOC1 1502727716 CCKBZQWVLXRKML-JPYJTQIMSA-N 458.538 2.325 30 10 JEEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(F)(F)Br 1507709889 DJVJKPQRDFFLCT-UHFFFAOYSA-N 491.362 2.312 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](c2cccc(F)c2)N(C)C)CC1 1507715930 KFAKMPJFMUFPAW-OAQYLSRUSA-N 476.560 2.123 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@@]2(N(C)C)CCC[C@@H](C)C2)CC1 1507738005 HMJPTRBETVXYCK-KBMIEXCESA-N 464.618 2.211 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccn2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1507801379 UTIQCNROQMXQTK-XLIONFOSSA-N 460.604 2.229 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cn2nc(C)cc2C)n1CCS(C)(=O)=O 1508000698 YQJRHLDSDUUHHL-UHFFFAOYSA-N 453.572 2.249 30 10 JEEE C=CCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCC(NC(=O)COC)CC1 1508057589 CGOLHMVXSPTHLC-UHFFFAOYSA-N 465.558 2.153 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2CC(C)(C)C(=O)NCC)c1 1539046635 XFOYNEPZQJZNCL-LJQANCHMSA-N 452.559 2.348 30 10 JEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](c2noc(C3CC3)n2)C1 1539052741 ISHBSDVXARVMTC-RDJZCZTQSA-N 461.592 2.336 30 10 JEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 1539093847 GNGLVAQOYBIKMP-GJZGRUSLSA-N 473.525 2.359 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H](C1CCCCC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1539215926 LPHDCTWIWKQGMW-PZJWPPBQSA-N 458.632 2.410 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCS(=O)(=O)CC1CC1 1539338723 ZGJSDUFPGVMGGS-BGYRXZFFSA-N 489.642 2.337 30 10 JEEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 1539340576 PVNYKGXBFKBFHG-QFIPXVFZSA-N 450.587 2.265 30 10 JEEE C#CCN(CC)c1nnc(-c2cc(Br)cn2C)n1Cc1cccc(S(=O)(=O)NC)c1 1539347378 QWDGNSWDRBSLBY-UHFFFAOYSA-N 491.415 2.462 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2Cc2ccc(C(N)=O)nc2)CC1 1539436172 MCMKYRGAPCHNSN-UHFFFAOYSA-N 453.909 2.035 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](c2ccccc2)C2CC2)CC1 1539470216 ZJOZBKZEVLLBMI-GCJKJVERSA-N 498.653 2.048 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CC(=O)Nc2ccc(F)cc2)CC1 1539475666 LOTFJVZYQCDOLG-UHFFFAOYSA-N 461.501 2.084 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCCCO2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1539751922 XJPYAFPYHBLCBW-RTWAWAEBSA-N 460.623 2.245 30 10 JEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 1539981849 JPAQDUSRFYLILB-MSOLQXFVSA-N 466.652 2.329 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1c1ccc(OCC)cc1 1540871654 QFJQRKPZAFXCLQ-AZUAARDMSA-N 473.599 2.223 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccccc2CN2CCOCC2)C1 1540882877 PZMCLWKNVOEFLR-QFIPXVFZSA-N 468.602 2.078 30 10 JEEE Cc1cc(C(=O)NC2CCN(c3nnc(-c4cccc(C#N)c4)n3C[C@@H](C)N(C)C)CC2)no1 1542136441 IFIQQXSZCYSIRS-MRXNPFEDSA-N 462.558 2.462 30 10 JEEE CNC(=O)[C@@H]1CC2(CCN(C(=O)NCCOC)CC2)CN1c1ccc(C#N)c(C(F)(F)F)c1 1548380234 QNRMHGFUPRGHLW-SFHVURJKSA-N 467.492 2.340 30 10 JEEE CNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCC[C@H](C)C2)CC1 1554437592 BDQUAOZBWZISSW-IBGZPJMESA-N 465.602 2.423 30 10 JEEE C#CCN(C(=O)Nc1[nH]nnc1C(=O)NC1CC1)[C@@H]1CCOc2ccc(Br)cc21 1563377659 FTKXVGRWGLHUOR-CQSZACIVSA-N 459.304 2.450 30 10 JEEE C#CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1587754361 BIHGVMZFGVNGRE-QGZVFWFLSA-N 468.583 2.102 30 10 JEEE C#CCCCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1587777430 FLLFPQHYJAOBRF-IBGZPJMESA-N 462.645 2.442 30 10 JEEE C#CCCCn1c(CSc2ccc(C)cc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1587888721 LBQJVAMBCAHEKW-UHFFFAOYSA-N 468.627 2.465 30 10 JEEE C#CCCCn1c(N(C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)nnc1[C@@]1(OCC)CCOC1 1587894121 NVVZELSSZFNSFS-VGOFRKELSA-N 461.588 2.188 30 10 JEEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1C[C@@](C)(O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1588069860 UHVIKUCJOYSZLO-XMSQKQJNSA-N 479.002 2.298 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCCN2CCC(O)CC2)CC1 1588750017 BFSFREYHJAHPTA-FQEVSTJZSA-N 470.593 2.159 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CCOc2cccc(C(F)(F)F)n2)CC1 1588811205 CLBHMXICCQCDDF-KRWDZBQOSA-N 464.492 2.420 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2Cc2cccc(CN(C)C)c2)CC1 1588930199 PLAJGBRNNYKCMC-QHCPKHFHSA-N 464.614 2.248 30 10 JEEE C#CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN2C(=O)CC[C@H]2C1 1588976242 STSAHERAJQULIP-SFHVURJKSA-N 473.002 2.039 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1589404764 LXAMBRQANQSLFG-CABCVRRESA-N 459.410 2.220 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCS(=O)(=O)CC1 1589578036 FGFVCCAZGJJCIE-AKHDSKFASA-N 452.621 2.413 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(c2ccccc2CO)CC1 1593636110 HBFBFXKNAWASCO-OAQYLSRUSA-N 475.615 2.063 30 10 JEEE C=C(C)COCCn1c(CC2CC2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1593757429 DLVJAMHDZZDIGM-SFTDATJTSA-N 458.651 2.450 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCO[C@@H](c2ccc(CC)cc2)C1 1595789599 XOPCALZIQMGXCT-OAQYLSRUSA-N 468.583 2.476 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@H](C)S[C@H](C)C1 1595799340 YZMMTVVHLPUCKS-HDICACEKSA-N 491.687 2.383 30 10 JEEE C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1ccc(N(C)C)nc1 1596902235 FFENROBBZZPJBH-ZWKOTPCHSA-N 497.625 2.496 30 10 JEEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)C[C@H](C)S1 1612977101 ASOIWBVEVLHBQJ-IRXDYDNUSA-N 476.628 2.094 30 10 JEEE C#CCNS(=O)(=O)c1ccc(C(=O)N(C2CC2)[C@@H](Cc2ccccc2)C(=O)OCC)cc1 1627004362 WOKMGLFZYOOZIE-QFIPXVFZSA-N 454.548 2.377 30 10 JEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@]2(CC(=O)c3ccccc3O2)C1 1645462564 BDZZVRHNYAYMIR-HJPURHCSSA-N 453.520 2.252 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H]1CCN(S(C)(=O)=O)C1 1689840256 WHBLMVRSIAKPOG-GJZGRUSLSA-N 451.980 2.347 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2C[C@H](C)O[C@H](C)C2)c1 1689872273 SXZWPTUKJVVYJC-KOUHRCEDSA-N 499.637 2.440 30 10 JEEE C#CCCCCn1c(Cc2csc(C)n2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1689897830 JRQASNHIDDAGSA-QGZVFWFLSA-N 455.632 2.226 30 10 JEEE C#CCCCn1c(COc2ccc(F)cc2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1689938123 AHYIYQVYVHTTTB-HSZRJFAPSA-N 454.506 2.224 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCCN1CC)[C@H]1CCS(=O)(=O)C1 1689981983 FMNJHOFZCPFWIZ-IRXDYDNUSA-N 495.447 2.147 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCCO3)n2Cc2cc(C)nn2C)n1 1690109579 WWTHSRXYLJPLJX-OAQYLSRUSA-N 452.563 2.093 30 10 JEEE C=C(C)COCCn1c(N2CCN(C(=O)c3ccccc3O)CC2)nnc1[C@]1(OCC)CCOC1 1690320128 KKVZZRGIVGGJQB-VWLOTQADSA-N 485.585 2.191 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)Oc2ccccc2F)CC1 1690375572 OFDNAXDIVYUYCX-FXAWDEMLSA-N 479.578 2.374 30 10 JEEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1c(CC)nn(C)c1OC 1690518762 UHSQARCLWOKYOC-UHFFFAOYSA-N 473.603 2.170 30 10 JEEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CC1CCN(c2ccncc2)CC1)C1CC1 1690537863 WASVOSWKQWBNSC-KRWDZBQOSA-N 459.620 2.355 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1690662785 DHHWJSFSSDUCAK-HNNXBMFYSA-N 452.481 2.329 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(c2cnn(CC)c2)CC1 1690714573 PDLLOOMKOZVUEM-UHFFFAOYSA-N 498.613 2.127 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1690721137 YSQGOXZECJHVNV-LJQANCHMSA-N 451.556 2.145 30 10 JEEE CC(C)Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC1CCN(CCN(C)C)CC1 1692213119 BKXGVWYZUNAQKB-UHFFFAOYSA-N 479.677 2.343 30 10 JEEE CCN(C)C(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(CCC#N)CCOC 1695502887 AKYWUCARUOIEIJ-GOSISDBHSA-N 477.610 2.237 30 10 JEEE COCC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(N(C)C)nc2)CC1 1697714726 GHKGRQNLIADXFY-UHFFFAOYSA-N 474.569 2.057 30 10 JEEE COCCC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1697921175 IAQCHSWEGOJRQY-LJQANCHMSA-N 461.588 2.415 30 10 JEEE C#CCCCn1c(Cc2csc(C)n2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1705536137 IZSRVWGTDVDWFN-UWJYYQICSA-N 455.632 2.036 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccc(OC)c(OCC)c1)[C@@H]1CCS(=O)(=O)C1 1705571847 JPNCRRVMXRBTMT-UYAOXDASSA-N 474.583 2.212 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCc2nccn2C1 1705591097 FVQZUAMAPVFHNB-LJQANCHMSA-N 462.579 2.271 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCCN2CCC[C@H]2CO)CC1 1705634067 IKGYQDPZJDRDOR-IBGZPJMESA-N 490.450 2.028 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CC2(N3CCCC3)CCOCC2)CC1 1705647382 CYJQTRVBADWKSK-UHFFFAOYSA-N 470.662 2.478 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@H]2CCCN2CC)CC1 1705651043 HNOXDASNQPEAQU-NRFANRHFSA-N 480.613 2.316 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1705708362 BNJSDFAYHIQKIJ-UZKOGDIHSA-N 471.583 2.333 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1705734767 BFDWOELYGOCSQM-LJQANCHMSA-N 455.559 2.433 30 10 JEEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1705805970 UAKPNOVTWJIWCC-MOPGFXCFSA-N 464.636 2.119 30 10 JEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(OC)c(F)c1)C1CC1 1705854026 HGXDYMRYSRTLNA-HXUWFJFHSA-N 479.578 2.156 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1cccc(C#N)c1 1705904301 LSHHHWJACALLMW-FQEVSTJZSA-N 495.584 2.397 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCCNC(=O)C(C)C)C1 1705922368 LNOKXTGEBBJVNC-SFHVURJKSA-N 479.585 2.136 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCOCC2(CCC2)C1 1705938469 ZNIWWHPMWRQNBA-UHFFFAOYSA-N 471.583 2.336 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1705938881 LNLVOHVZFWWZEL-NPPFBWRTSA-N 470.636 2.244 30 10 JEEE CCCOc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCC(=O)N2CCOCC2)cc1OC 1709854720 CWKWZGXMPNDTBZ-DEOSSOPVSA-N 486.548 2.433 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1cn(CCCC)nc1C)[C@@H]1CCS(=O)(=O)C1 1722360207 FBUOMNXWQPHTOF-OAQYLSRUSA-N 467.599 2.320 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1cnn(CC(C)C)c1C)[C@H]1CCS(=O)(=O)C1 1722367262 UZTVUJAMRQZESW-QFIPXVFZSA-N 481.626 2.100 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(OC)c(Br)c2)n1CC1(S(C)(=O)=O)CC1 1722423826 QIQRNQDSFDGQBP-UHFFFAOYSA-N 497.415 2.379 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CC[C@](C)(CC)O2)CC1 1722441557 SMGKIJBRVFAWGF-CLOONOSVSA-N 479.585 2.239 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN([C@H](C)c2nc(CC)no2)CC1 1722492836 DQCIQNNKYLYJIM-HBFSDRIKSA-N 486.621 2.226 30 10 JEEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1722606542 BMLDPMDLOLSWCN-IBGZPJMESA-N 481.644 2.175 30 10 JEEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 1722617635 LQGUYJLQQOYSNQ-IRXDYDNUSA-N 453.609 2.497 30 10 JEEE C=CCCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@]2(CCc3ccccc32)C1 1722622252 KLGTXZSQLSLBCI-JPYJTQIMSA-N 475.615 2.159 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCN(C(C)=O)C[C@H]1C 1722694408 UVAFTFCQHJWVJU-JKSUJKDBSA-N 456.616 2.491 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1722705615 FJPJUSFPUJBHID-LJQANCHMSA-N 467.530 2.045 30 10 JEEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(C(C)(C)C)n1Cc1ccc(N(C)C)nc1 1726641809 DWGFRXPPNKLRGF-KRWDZBQOSA-N 460.590 2.462 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCc1cccc(C(=O)NC)c1 1740546132 FZWVNEVLAGREMM-QGZVFWFLSA-N 479.610 2.298 30 10 JEEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1ccccc1OCC(C)C)[C@@H]1CCS(=O)(=O)C1 1740623842 BPVSWVHLLYZNMT-OAQYLSRUSA-N 499.637 2.110 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccccc1OC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1740626764 MZNOJLXZPHIUBC-SJORKVTESA-N 484.500 2.356 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1(S(C)(=O)=O)CC1 1740660788 CVNJJSOAQFSXLE-HDICACEKSA-N 475.615 2.089 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(C#N)o1 1740677115 FSRJNINVGKLJJX-HNNXBMFYSA-N 456.503 2.180 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(C#N)o1 1740686085 OHHHABIUVXRNDD-IBGZPJMESA-N 470.530 2.185 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(C(=O)NCC)cc2)CC1 1740702526 RFWXLKFNQBZKHV-UHFFFAOYSA-N 450.587 2.339 30 10 JEEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1740713047 CSEBOSFJIBOEHM-UYAOXDASSA-N 471.627 2.486 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(c2nccs2)CC1 1740717283 NUNRFFWEKGSDSA-INIZCTEOSA-N 451.643 2.387 30 10 JEEE C=C(Br)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(C)C(=O)[C@@H]1C 1740742852 DEDGMHQOEHGLJS-AWEZNQCLSA-N 486.374 2.250 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC(C(=O)NC2CCCCC2)CC1 1740958303 MTWYVPDAAMIHNI-HXUWFJFHSA-N 458.607 2.487 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCS(=O)(=O)Cc2ccccc2)C1 1740977219 SLTBAUMDGOPCTM-HXUWFJFHSA-N 456.572 2.075 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1740989619 SQSDTNSUFBBQHX-IBGZPJMESA-N 494.017 2.027 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2Cc3c(OC)ccc(OC)c3[C@H](O)C2)nnc1C(C)(C)C 1740994973 ZFLQHWNMQSSXFW-MRXNPFEDSA-N 464.588 2.247 30 10 JEEE CC(=O)N1CC[C@H](CN(C)c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N2CCCCC2)C1 1741030230 CGOWGZYRHKNUHI-JOCHJYFZSA-N 493.612 2.436 30 10 JEEE C#CCN(CC#CC)c1nnc(CSc2ccccc2OC)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1748902028 FJRVSTHNKJMFOD-LJQANCHMSA-N 487.651 2.323 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(O)cc1 1748966082 ZLJWRMFBZIZRPS-FQEVSTJZSA-N 471.558 2.426 30 10 JEEE C#CCN1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CC(C)(C)CCOC)CC1 1748986890 KWXXEHUYJWVIBP-UHFFFAOYSA-N 463.586 2.010 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CC(=O)Nc2c(C)cccc2C)CC1 1749008991 DYKSXALMMPRDDK-OAQYLSRUSA-N 478.597 2.393 30 10 JEEE C=C(Br)Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1749108973 ABQIFITZIJAGSW-VQIMIIECSA-N 451.369 2.433 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(c2nccs2)CC1 1749119148 NXLOHNDJLHRWNM-SQNIBIBYSA-N 495.675 2.043 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C)no1 1749584803 RMQGHXAQNKAWJK-NRFANRHFSA-N 486.598 2.191 30 10 JEEE C=CCn1c(N2CCN(CC(=O)Nc3ccccc3CC)CC2)nnc1[C@]1(OCC)CCOC1 1749645535 ARATYVMVAJIZJA-VWLOTQADSA-N 468.602 2.439 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1749676300 LLZGUUODFRZKKF-UHFFFAOYSA-N 479.585 2.107 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCN(c2cccc(OC)c2)CC1 1749736571 LGTPZRFTTQSQDR-UHFFFAOYSA-N 482.610 2.200 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCC(Oc2cc(C)ccn2)CC1 1749738184 IFCYBHQPCSHUND-UHFFFAOYSA-N 499.641 2.492 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1CC1CN(C(=O)OC(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1760184084 VEJCMFXKMJXOLK-QGZVFWFLSA-N 465.620 2.069 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCc1ccccc1OCC)[C@@H]1CCS(=O)(=O)C1 1760192176 RRIOZJPYQQABDG-JOCHJYFZSA-N 496.637 2.408 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc(OC(F)(F)F)cc1 1760209424 CJJAJZWGCGYLQT-MRXNPFEDSA-N 483.516 2.493 30 10 JEEE C#CCN(CCOC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC[S@](=O)CC 1760249096 HQGCHQZSYVRKPJ-JGCGQSQUSA-N 467.636 2.247 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCCC(F)(F)C2)CC1 1760261142 HHXNMYCSPGVIIE-ZWKOTPCHSA-N 455.575 2.151 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@](C)(O)c2cccs2)CC1 1760264647 BARGOCZOQNLQOZ-DEOSSOPVSA-N 486.642 2.132 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCCCc2nc(C)cs2)CC1 1760268192 FQFJLCMMBFJHAO-UHFFFAOYSA-N 464.599 2.489 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2CCCc2nc(C)no2)CC1 1760271988 USQCOVNOLMFAAO-UHFFFAOYSA-N 453.572 2.220 30 10 JEEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1760280587 RRSHHRGUKNVRPW-UHFFFAOYSA-N 462.645 2.265 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ccc(OC)cc2)CC1 1760389882 VZQURCQWRGMAKY-HXUWFJFHSA-N 461.588 2.019 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](CC2CC2)C1 1760522144 MMRNQNPASXSWOQ-IPMKNSEASA-N 474.606 2.214 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1760549101 WITZBZXKMPJWKS-SFHVURJKSA-N 495.671 2.212 30 10 JEEE Cc1ccc(SCCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)cc1 1761881842 DWUJHBINCMDBCY-GHTZIAJQSA-N 494.618 2.154 30 10 JEEE Cc1nc(C[C@H]2CCCN(c3nnc(-c4ccc(C#N)cc4)n3CCCS(C)(=O)=O)C2)no1 1762299740 FRRSTEDMMWGRSQ-GOSISDBHSA-N 469.571 2.402 30 10 JEEE C[C@H]1CCC[C@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1762832210 FGMQGWMGWYBIKQ-SBUREZEXSA-N 472.615 2.228 30 10 JEEE CO[C@@]1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(CC(=O)N(C)C)CC2)CCOC1 1768213031 HMCOJCCKRQDLKI-XMMPIXPASA-N 452.559 2.317 30 10 JEEE COCC[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ncccc2F)CC1 1770976610 DQPPXBVZYGCSFC-XMMPIXPASA-N 465.533 2.465 30 10 JEEE CCN(C(=O)c1nc(C(=O)Nc2ccc(C#N)cc2)n2ccccc12)[C@@H]1CCS(=O)(=O)C1 1858241918 LITSEIAYKBLGNO-QGZVFWFLSA-N 451.508 2.107 30 10 JEEE C=CCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2C)[C@H]1c1cc(OC)c(O)c(OC)c1 1864957702 CUYZNBJLBWJCRE-GFCCVEGCSA-N 454.405 2.159 30 10 JEEE CCC[C@@H](NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1)C(=O)N1CCN(c2ncccn2)CC1 1868795396 KZVLRYJYLARTAQ-RTWAWAEBSA-N 495.653 2.448 30 10 JEEE CCCC[C@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)NC[C@H](c1ccc(O)cc1)N(C)C 1869933588 JMOYOKYYELGBGL-VQTJNVASSA-N 458.584 2.409 30 10 JEEE CCNC(=O)COc1cn(CCN(C)C)c(CSc2nc(C)c(C)c(C)c2C#N)cc1=O 1870290014 KGEMBIYAKFPBFC-UHFFFAOYSA-N 457.600 2.409 30 10 JEEE C=CCn1cc(OCC(=O)NCCOC)c(=O)cc1CN1CCN(c2cccc(Cl)c2)CC1 1870521678 OYULIPFHHZJRLL-UHFFFAOYSA-N 474.989 2.151 30 10 JEEE C=CCN(CC=C)c1nc(=NCCCn2ccnc2)[nH]c(=Nc2ccc(OC)c(OC)c2)[nH]1 1871543386 PXZLDMKXSITPPR-UHFFFAOYSA-N 450.547 2.353 30 10 JEEE CCOCCOC(=O)c1ccc(N2CC(=O)C(c3nc(C)c(C(=O)N(C)C)s3)=C2N)cc1 1873920839 ZKSOTHRTPWUFAY-UHFFFAOYSA-N 458.540 2.063 30 10 JEEE COc1cc(/C=N/n2c(SCCCO)nnc2[C@H]2CC(=O)N(C(C)C)C2)cc(OC)c1OC 1874341370 IKDSZHZNOOYVGA-PDYUXYPTSA-N 477.587 2.385 30 10 JEEE COc1ccc([C@@H]2[C@@H](C(=O)N3CCC[C@H](Oc4nccnc4C#N)C3)OCC(=O)N2C(C)C)cc1 1891565397 QLAVETXRNFDBFN-PMOQBDJRSA-N 479.537 2.104 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2124539713 YQHXLECASIREJO-RHSMWYFYSA-N 450.316 2.434 30 10 JEEE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@@H](CNS(=O)(=O)N2CCC(C#N)CC2)C1 2140607258 OSGGAQYXAPMRSC-NRFANRHFSA-N 477.631 2.178 30 10 JEEE CC1(C)OB(c2ccc(N3CCO[C@@]4(CCCN(C(=O)C(F)(F)F)C4)C3)nc2)OC1(C)C 2241029485 HITVXEAHDWNQAB-FQEVSTJZSA-N 455.286 2.141 30 10 JEEE CO[C@@H]1CN(C(=O)c2ccsc2B2OC(C)(C)C(C)(C)O2)C[C@H]1NC(=O)OC(C)(C)C 2255646113 MBWZHDNRJJBWDU-HUUCEWRRSA-N 452.382 2.411 30 10 JEEE Cc1cc(C(=O)NC[C@@](C)(CO)NC(=O)OC(C)(C)C)sc1B1OC(C)(C)C(C)(C)O1 2255876200 KIXJVWAOFASJON-NRFANRHFSA-N 454.398 2.361 30 10 JEEE CC(C)(C)OC(=O)N1CCS[C@H](C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C1 2256620083 DVULLPUMRFSJHU-ZDUSSCGKSA-N 469.438 2.411 30 10 JEEE CC(C)(C)OC(=O)NCC[C@@H]1CN(C(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)CCO1 2267170021 PRXITLUXTXVNNG-CQSZACIVSA-N 467.397 2.198 30 10 JEEE CC1(C)OB(c2ccsc2S(=O)(=O)N2CCC(CNC(=O)C(F)(F)F)CC2)OC1(C)C 2267369837 BZMFVHHOVQKFEB-UHFFFAOYSA-N 482.355 2.127 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]1CNS(=O)(=O)c1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2267468770 MUENTBURHAJPIH-DYVFJYSZSA-N 470.372 2.316 30 10 JEEE C[C@H]1C[C@@H](C)CN(C(=O)OC(C)(C)C)[C@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2268725406 VRVTYKOFMBRBKB-HZSPNIEDSA-N 466.413 2.479 30 10 JEEE Cn1ncc(C(=O)N[C@H]2CCCC23CN(C(=O)OC(C)(C)C)C3)c1B1OC(C)(C)C(C)(C)O1 2281810672 SHMVBXSVYWDIHF-INIZCTEOSA-N 460.384 2.239 30 10 JEEE Cn1ncc(C(=O)NC[C@]2(F)CCCN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2281814987 NPPALMHKXBQJFG-JOCHJYFZSA-N 466.363 2.188 30 10 JEEE Cc1nn(C)c(C(=O)NCCC2CC(NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2281983312 SUFAPBCSCMWHQX-UHFFFAOYSA-N 462.400 2.451 30 10 JEEE Cc1cc(C(=O)NC[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2282123154 QSSKCCMUMOXBCD-XMMPIXPASA-N 460.380 2.396 30 10 JEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2282190629 RMSMYMUMOKMVRF-DLBZAZTESA-N 461.368 2.135 30 10 JEEE CC(C)(C)OC(=O)N1CC2(CC[C@H](CNC(=O)c3ccoc3B3OC(C)(C)C(C)(C)O3)O2)C1 2282204386 JBFNHDXAKHDFLH-OAHLLOKOSA-N 462.352 2.477 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2[C@H](NS(=O)(=O)c3ccc(F)c(B4OC(C)(C)C(C)(C)O4)c3)[C@H]2C1 2282505442 DJDFISGELSMHEO-HWWDLCQESA-N 482.383 2.269 30 10 JEEE Cc1nn(C)c(C(=O)N2C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C2)c1B1OC(C)(C)C(C)(C)O1 2282559403 PAXPBVSLFNMXEU-HNNXBMFYSA-N 462.400 2.403 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)OCC12CC2 2282603901 MOGLIJGABRPUHC-CQSZACIVSA-N 479.408 2.341 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N=[S@](C)(=O)C[C@@H](C)NC(=O)OC(C)(C)C 2282607825 ZHPQNXAKCJJYDE-LHRCYKKBSA-N 484.428 2.353 30 10 JEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(O)cc1O 2282966309 DUYUXRZUTXAKAW-XJKSGUPXSA-N 462.352 2.382 30 10 JEEE C[C@H](NC(=O)C1(CO)CN(C(=O)OC(C)(C)C)C1)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2283965137 VXUZZNCIXASVIB-INIZCTEOSA-N 460.380 2.392 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@](CO)(C(=O)NCc2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2284019749 CEPPAXZIXIAEPV-DEOSSOPVSA-N 460.380 2.222 30 10 JEEE CN(Cc1sccc1B1OC(C)(C)C(C)(C)O1)C(=O)[C@@H](CCC(N)=O)NC(=O)OC(C)(C)C 2284053532 PUGUGEHQVINZLH-OAHLLOKOSA-N 481.424 2.165 30 10 JEEE CC(C)(C)OC(=O)N1CC(N2CC(C(=O)Nc3cccc(B4OC(C)(C)C(C)(C)O4)c3)C2)C1 2284241758 OEMNXIZDQMRWOK-UHFFFAOYSA-N 457.380 2.475 30 10 JEEE COC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)(C)C)C2)n1N=Cc1ccc(O)c([N+](=O)[O-])c1 2327874553 MXPSTQJKICFDMV-ZDUSSCGKSA-N 476.515 2.154 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@](Oc2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)(C(=O)O)C1 2345741585 RZBGUXIRTNPPLI-NRFANRHFSA-N 452.288 2.363 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1CCN(C(=O)OC(C)(C)C)C1(C)C 2362351509 GLCXWWSXFYBSBO-OAHLLOKOSA-N 462.400 2.485 30 10 JEEE COC(=O)c1ccccc1NC(=O)CSc1nnc(N/N=C/c2c(C)nn(C(C)C)c2C)n1N 20911692 NVZSZAMWHXDJDH-AUEPDCJTSA-N 485.574 2.350 30 10 JEEE C[C@H](NC(=O)CSc1nnc(N/N=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1N)c1ccccc1 253564410 GMBNABZLKOCGFM-SQWLXVSWSA-N 485.486 2.224 30 10 JEEE CC(=NNc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])c1cnc2cc(C)nn2c1C 254296501 GROWALPNNZRXPL-UHFFFAOYSA-N 473.515 2.111 30 10 JEEE C#CCN(C(=O)CSc1nnc(-c2cccnc2)n1-c1ccccc1)[C@@H]1CCS(=O)(=O)C1 729331174 KHLSXNGHGBJXTE-LJQANCHMSA-N 467.576 2.070 30 10 JEEE N#Cc1ccc(N2C(=O)N[C@@H](CCc3nc(-c4ccc(CN5CCOCC5)cc4)no3)C2=O)cc1 904512159 FBEORKQGWCQTTR-NRFANRHFSA-N 472.505 2.498 30 10 JEEE O=[N+]([O-])c1ccc(Cl)c(C=NNc2nc(N3CCOCC3)nc(N3CCOCC3)n2)c1Cl 1084229926 WAJDSSZASJJTMI-UHFFFAOYSA-N 483.316 2.206 30 10 JEEE CC#CCCCC(=O)Nc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)c(Br)c1 1125495277 RYNQHYNRRAPJPE-UHFFFAOYSA-N 451.364 2.307 30 10 JEEE C=CCn1c(SCC(=O)N2C[C@@H](C(=O)OC)C[C@@H](O)C2)nnc1-c1ccc(Cl)cc1 1144923751 VLCUZMGLJPBGAQ-GOEBONIOSA-N 450.948 2.259 30 10 JEEE CC[C@@H](C#N)Oc1cc(CNC(=O)N2CCC(C(=O)N3CCN(C)CC3)CC2)ccc1OC 1227522292 BOWFWLIQZGZHIC-FQEVSTJZSA-N 457.575 2.072 30 10 JEEE C#CCCCn1c(N2CCS(=O)(=O)C3(CCCCC3)C2)nnc1[C@]1(OCC)CCOC1 1286359521 DRHKUIOOLIDEBJ-QFIPXVFZSA-N 450.605 2.281 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC[C@@H](C)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 1286396101 UFVGYPQDFWENOB-NJYVYQBISA-N 463.648 2.063 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(Cl)s2)CC1 1286485827 ZYHPIFBLIPLTKK-UHFFFAOYSA-N 460.991 2.243 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCCN2CCC(C)CC2)CC1 1286488932 YOJLBMOSOWJVCO-AREMUKBSSA-N 486.661 2.018 30 10 JEEE C#CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(C(=O)C(C)C)CC1 1286507705 BXNQCYRSRZRJMA-FQEVSTJZSA-N 455.584 2.462 30 10 JEEE C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1286584955 XNAHCMADRNQFRA-UHFFFAOYSA-N 462.352 2.143 30 10 JEEE C=C(Cl)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(C(=O)NCCOC)CC1 1286628284 DRGMQEQWNKPWIE-UHFFFAOYSA-N 489.024 2.184 30 10 JEEE C=CCN(c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCS(=O)(=O)C1)C1CC1 1286738683 ZPMSCJKVWONHBI-FUHWJXTLSA-N 481.619 2.176 30 10 JEEE CC(C)[C@@H]1C[C@H]1n1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1288434463 CYNMZRJNSSLIPX-LEWJYISDSA-N 451.575 2.156 30 10 JEEE C=CCOC[C@@H](NC(=O)CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)C(=O)OC 1297030011 QWSPUCMRSGJSKG-DFSFMLJYSA-N 452.529 2.277 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2C[C@]2(O)CCC[C@H]2C)c1 1300337343 ZLWUTQHYNWKNLX-IQGLISFBSA-N 464.570 2.008 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1300513560 YXVYUESDWSIJNI-NHCUHLMSSA-N 469.611 2.389 30 10 JEEE C#CCSCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1300770706 XAQUPKSIZVMPAJ-UHFFFAOYSA-N 498.653 2.415 30 10 JEEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)c2cc(C)oc2C)CC1 1300950478 DIOKGXYZOMDQNC-KRWDZBQOSA-N 461.588 2.365 30 10 JEEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 1300983063 DBLWUJXNTUTJHB-UHFFFAOYSA-N 465.533 2.358 30 10 JEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2c(F)cccc2OC)CC1 1301257686 CROKXKQEVSJJIY-GOSISDBHSA-N 493.605 2.247 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(O)CCCC1 1301341327 RAMMMCNVYVPOEV-KRWDZBQOSA-N 458.588 2.258 30 10 JEEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 1301508519 NHZLWLOAOCGOKB-UHFFFAOYSA-N 450.587 2.204 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(Cc3csc(C)n3)n2CC2(S(C)(=O)=O)CCC2)C1 1301566660 PEJKULUVMYWBSE-KRWDZBQOSA-N 451.618 2.382 30 10 JEEE C=CCSCCn1c(-c2cccn2C)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1301604180 OGMPQUGNEHRGPK-UHFFFAOYSA-N 493.684 2.479 30 10 JEEE CSC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1302512213 FQPODPJWBSTWIX-HNNXBMFYSA-N 495.650 2.367 30 10 JEEE C=C(C)CNC(=O)NCCNS(=O)(=O)c1cc(Br)ccc1Br 1311875180 WYPQFQWCZIMJCH-UHFFFAOYSA-N 455.172 2.365 30 10 JEEE C=CCn1cc(C(=O)N(Cc2ccccc2)c2c(O)nc(=O)n(Cc3ccccc3)c2N)nn1 1348046456 DYZHITYQDTXJHS-UHFFFAOYSA-N 457.494 2.204 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCCOC1)[C@H]1CCS(=O)(=O)C1 1358956951 MYDFHSBPSWLYFX-ZBFHGGJFSA-N 482.404 2.089 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCC1CC1)[C@@H]1CCS(=O)(=O)C1 1358957523 VPTFAOQZQZMIQV-OAHLLOKOSA-N 452.378 2.463 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCSc1nccs1)[C@H]1CCS(=O)(=O)C1 1358963971 QQFHKHUCDCXMFN-SJORKVTESA-N 481.669 2.438 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@H](OC)[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1358965587 XLXMKIVYFZRIFN-SNRMKQJTSA-N 465.645 2.322 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1cccc(C(OC)OC)c1)[C@@H]1CCS(=O)(=O)C1 1358967009 BIOHKCLAVHGMGS-WOJBJXKFSA-N 474.583 2.096 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCOCC(=C)C)CC1 1359044065 UASZBPWCOXTTPX-UHFFFAOYSA-N 475.553 2.152 30 10 JEEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(c2cccnn2)CC1 1359052789 QFFQTKQSUXTAJL-UHFFFAOYSA-N 465.583 2.445 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1(S(C)(=O)=O)CC1 1359063300 NWSBQRURCPPWDO-OAQYLSRUSA-N 476.002 2.431 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1359106255 ZKFCDSWGXSNIRP-WCIQWLHISA-N 467.636 2.219 30 10 JEEE C=C(C)CN(CC)c1nnc(CN2CCCC2=O)n1CC[C@H](N1CCOCC1)C(F)(F)F 1359116041 VRWHCDMAOMPYLT-KRWDZBQOSA-N 458.529 2.456 30 10 JEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2ccc(C(C)=O)cc2F)CC1 1359303897 FDVISCOUBMITCI-UHFFFAOYSA-N 494.575 2.110 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCOC2(CCOCC2)C1 1359304853 LMFRCNPVFJDSEZ-UHFFFAOYSA-N 461.950 2.199 30 10 JEEE CC(C)[C@](C)(O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@](F)(C#N)C1 1359647681 FOLOSBLCFGZTQD-NHCUHLMSSA-N 464.567 2.044 30 10 JEEE CN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCCO1)C1CCN(S(C)(=O)=O)CC1 1503412177 HAGNUIPFOFPFHB-FQEVSTJZSA-N 458.588 2.246 30 10 JEEE N#Cc1cccc(-c2nnc(N3CCC[C@H](OCC(F)(F)F)C3)n2CCN2CCCS2(=O)=O)c1 1505313632 BXBFSDUCPZGNPQ-SFHVURJKSA-N 498.531 2.400 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1507518412 LPVSRRRBAWKJNX-GLDPYIMESA-N 454.575 2.057 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCN1CCOC(C)(C)C1 1507637749 RMJQMQDFOFBFKS-UHFFFAOYSA-N 468.989 2.045 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](c1ccc(C)cc1)N1CCCC1 1507642611 LOINOOXKCKRJDY-IFMALSPDSA-N 468.627 2.107 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1Br 1507669545 NPMSTVFSWDJCMQ-QGZVFWFLSA-N 461.385 2.454 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H]1CCCN1CC 1507709963 HBOMRSGDKAHQOZ-LJQANCHMSA-N 463.586 2.245 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2cnn(CC(C)C)c2C)CC1 1507715462 BJRQJVROKVGSSB-UHFFFAOYSA-N 454.623 2.161 30 10 JEEE C#CCSCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1507749515 ZGTIYJVXWCGEEN-SFHVURJKSA-N 498.609 2.192 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1ccc(F)cc1)N(C)C 1507821063 SVDVIXSBJPODSX-LEWJYISDSA-N 494.637 2.455 30 10 JEEE C=C(Cl)Cn1c(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)nnc1[C@]1(OCC)CCOC1 1507872696 FXIQDNKMIJEFIY-QFIPXVFZSA-N 496.033 2.335 30 10 JEEE C=C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@H](C)CN2CCOCC2)CC1 1507877712 NNFUMCLTSNDOFH-HXUWFJFHSA-N 488.658 2.320 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1508090197 DRKFFQYLTGHGNO-UHFFFAOYSA-N 494.600 2.180 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1 1508144219 NPMXNUJIORDOTL-QHCPKHFHSA-N 471.558 2.102 30 10 JEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1508164141 ZAXCQOKKICGOQS-QZTJIDSGSA-N 469.677 2.088 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1nc2cccc(Cl)c2n1C 1510147591 BZSIDWCFCIHRET-QWHCGFSZSA-N 464.983 2.215 30 10 JEEE C[C@H]1CCCCN1C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)O)CC1 1512145755 DXCMZUJGQIWKMC-IBGZPJMESA-N 465.602 2.111 30 10 JEEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@H]1CCOC[C@@H]1OC 1539172459 ZVGVDIIAFCPZEM-PXNSSMCTSA-N 450.543 2.357 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H](Cc1ccccc1)OC)[C@H]1CCS(=O)(=O)C1 1539217030 ZTJZAOXBMAKADI-PMACEKPBSA-N 453.568 2.158 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCC(=O)N(CC)CC)CC1 1539474680 XAZZZNNCKYQUKU-UHFFFAOYSA-N 475.597 2.431 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCOc1ccccc1 1539557388 SHYFSZNWXKFUMX-NFBKMPQASA-N 473.599 2.072 30 10 JEEE C=C(C)Cn1c(-c2ccc(Br)s2)nnc1N1CCN(CC(=O)NCCOC)CC1 1539691327 VBTPCZCBRJCGJP-UHFFFAOYSA-N 483.436 2.230 30 10 JEEE C=C(Cl)Cn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1539801416 AEGVJAQWFFPYLY-OALUTQOASA-N 451.015 2.448 30 10 JEEE C=CC1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CC(=O)NCCC)CC1 1539874062 AQDWWKWCZLBNIC-UHFFFAOYSA-N 459.620 2.475 30 10 JEEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1539962997 IFDHCTCTWVPIRJ-QUCCMNQESA-N 457.623 2.155 30 10 JEEE C=CCCOCCn1c([C@H]2CCCCO2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1540036019 JPNVARHLIXRZBL-NHCUHLMSSA-N 460.623 2.245 30 10 JEEE C=CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC(C)(C)N1CCOCC1 1540084300 RKOIEGBJJYAKKA-UHFFFAOYSA-N 467.662 2.376 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)c1nc(C)cs1 1540170824 REDQFRSUFAKOFY-WBVHZDCISA-N 466.633 2.358 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1540869264 HKWMDMPXVNYOTI-QGZVFWFLSA-N 479.585 2.278 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC(N(C)C(C)=O)CC1 1540876151 IXFHGUNLGDUGQV-IBGZPJMESA-N 489.621 2.099 30 10 JEEE C=CCNC(=O)Cn1c(N2CC=C(c3ccc(C#N)cc3)CC2)nnc1[C@]1(OCC)CCOC1 1540876425 QUEMSZMVSNULPU-VWLOTQADSA-N 462.554 2.398 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1540900841 JVPHEKMPCMQWSK-QGZVFWFLSA-N 463.579 2.428 30 10 JEEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F 1556558172 OJAOJBUIBGCRPS-UHFFFAOYSA-N 452.504 2.150 30 10 JEEE Cn1cc(S(=O)(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)c(C(F)(F)F)n1 1561210959 GSMNGXKDVWWRBR-UHFFFAOYSA-N 450.446 2.370 30 10 JEEE C=CCN(C(=O)Nc1cc(N2CCOCC2)ccc1Br)[C@H]1CCS(=O)(=O)C1 1562809937 SNTBEDNIFLINPS-HNNXBMFYSA-N 458.378 2.493 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCCC(F)(F)C1 1587638991 IQNKTINIBXNQSJ-GVDBMIGSSA-N 459.563 2.285 30 10 JEEE C#CCN(c1nnc(COCC)n1C[C@@H]1CCCO[C@H]1C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1588075111 XWXOIYFWFJZZNS-NLWGTHIKSA-N 452.621 2.283 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCN2CCN(C)C(C)(C)C2)CC1 1588762853 NWMNPKZJJDPAHX-UHFFFAOYSA-N 487.599 2.328 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2Cc2cccnc2OCCOC)CC1 1588856867 DQBUHPCQNUUXHB-UHFFFAOYSA-N 452.584 2.154 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(OCC(F)(F)F)nc2)CC1 1588930568 ZFPUANMSEWKWHD-SFHVURJKSA-N 492.502 2.132 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(c2cccnn2)CC1 1595506487 BJMXTKYUXPMHOS-UHFFFAOYSA-N 468.949 2.026 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2nnc3n2CCCCC3)C1 1595665342 SAVRGCDUCVFXBT-SFHVURJKSA-N 456.595 2.344 30 10 JEEE C[C@@H](Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@H](C#N)C1)c1nccs1 1611498847 HPFWCTBMBCROLK-RDJZCZTQSA-N 487.611 2.184 30 10 JEEE CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H]1[C@H]1CCCO1 1617331641 AGCWOTSBIQFIOU-VQTJNVASSA-N 459.572 2.311 30 10 JEEE CCS(=O)(=O)N(C)CCCn1c(-c2cccc(C#N)c2)nnc1N(C)C[C@@H]1CCCOC1 1617346525 IDWJHLYGINTEPF-IBGZPJMESA-N 460.604 2.351 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2ccnc(N3CCSCC3)c2)s1 1634544193 DFWDDWMKQWKPRV-UHFFFAOYSA-N 452.627 2.020 30 10 JEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@H](CO)c3cccc(F)c3)nnc12 1638548746 RWOLAFQVSPYXCA-QGZVFWFLSA-N 453.499 2.311 30 10 JEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1CN(CC(F)(F)F)C[C@H]1c1ccccc1 1639049627 CHPYLLXTYLXGNZ-UIAACRFSSA-N 480.512 2.372 30 10 JEEE COc1cc(-c2noc(CN3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)n2)ccc1C 1653740380 BXUWAGVVMHGPRO-UHFFFAOYSA-N 453.524 2.432 30 10 JEEE CCn1cc([C@H]2C[S@@](=O)CCN2S(=O)(=O)c2cccc(Br)c2C#N)cn1 1663117600 FVIQLMNBASMQGI-BZQUYTCOSA-N 457.375 2.031 30 10 JEEE N#Cc1ccc(Br)cc1S(=O)(=O)NC[C@H]1CCCN(C(=O)C(F)(F)F)C1 1664732591 HMQBLUQPBHPVAB-SNVBAGLBSA-N 454.268 2.400 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2Cc2c(CC)nn(C)c2CC)c1 1689870186 DVPGPIHMVHMAFP-OAQYLSRUSA-N 488.596 2.192 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C)CN2CCCCC2)c1 1689870554 RMUPSMKHTDQFOP-UGKGYDQZSA-N 477.613 2.407 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(OC(F)F)cc1 1689929826 FPWLQSVTGDGGDF-SFHVURJKSA-N 483.541 2.262 30 10 JEEE C#CCN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1CCS(=O)(=O)CC1 1690087471 ZLLVAJXLYJCAIY-HDICACEKSA-N 465.620 2.333 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(CC)cc3)n2CC2([S@@](C)=O)CC2)CC1 1690139159 BXRGCZWJABPRET-JGCGQSQUSA-N 453.612 2.384 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@H](C)N2CCC[C@@H](C)C2)CC1 1690148478 IOEPYJWOPRFEFQ-RTWAWAEBSA-N 463.630 2.350 30 10 JEEE C#CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CCN2C(=O)CC[C@@H]2C1 1690159806 NAVWEAFUFALJJW-OAHLLOKOSA-N 463.405 2.224 30 10 JEEE C#CCSCCn1c(N2Cc3c(OC)ccc(OC)c3[C@H](O)C2)nnc1[C@@]1(OCC)CCOC1 1690186669 TZUFABJIECIUMT-HOYKHHGWSA-N 488.610 2.367 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H](N1CCOCC1)C(F)(F)F 1690216488 QDBYLJVCEIPRJT-TWFHAPMSSA-N 471.524 2.257 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)C(C)C)CC1 1690237314 XPMNIZOADFQCAT-ICSRJNTNSA-N 460.623 2.482 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC2CCCC2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1690250589 JFKCVEDUHNODNC-FBBABVLZSA-N 451.637 2.462 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@H](c3cnn(C)c3)C2)cc1 1690678958 GNOLPYSCURVUJX-MJGOQNOKSA-N 485.614 2.229 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Br)s2)nnc1N(C)C[C@@H](C)C(=O)NC 1690717275 ALUILDNVOOOIJY-GFCCVEGCSA-N 490.449 2.188 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@@H](C(=O)NC)C1 1690730120 XDOYRIAZTUINSJ-LJQANCHMSA-N 475.615 2.037 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CCc1ccccn1 1692789097 COTUZEWIZAIOHX-LJQANCHMSA-N 494.625 2.114 30 10 JEEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCn2cc(Br)cn2)CCO1 1697888297 CPKZLOHDAMHEFL-SFHVURJKSA-N 472.347 2.328 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(OCCN(C)C)cc1 1705490379 JNKURRAMKMRLQC-QGZVFWFLSA-N 450.543 2.452 30 10 JEEE C#CCCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCN(C(=O)NC)CC1 1705514704 GNDAPODXPZNAMN-UHFFFAOYSA-N 476.585 2.330 30 10 JEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)c2ccccc2C)CC1 1705532989 SVFRYHWBBMYKHE-LJQANCHMSA-N 469.611 2.301 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CCc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1705561448 QJUYYDFSLXTPBF-URXFXBBRSA-N 490.601 2.327 30 10 JEEE C#CCN(c1nnc([C@@H](CC)c2ccccc2)n1CCCn1ccnn1)[C@H]1CCS(=O)(=O)C1 1705561925 VVGUNBMPNABPPZ-SFTDATJTSA-N 467.599 2.129 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(SC)CC1 1705619911 GEXMFOSYOFTHGE-IBGZPJMESA-N 493.630 2.286 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 1705627238 AFEVWJOHDDXWQG-IRLDBZIGSA-N 467.570 2.424 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](c1ccc(C)cc1)N1CCCC1 1705627446 HCEYDBJPAPMEQJ-YADHBBJMSA-N 450.587 2.461 30 10 JEEE C#CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@H](N2CCCC2=O)C1 1705651566 BISJAVWHKOOOIU-IBGZPJMESA-N 487.029 2.429 30 10 JEEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1705657640 LUBURNNGWCLWBZ-KRWDZBQOSA-N 458.588 2.436 30 10 JEEE C=C(C)COCCn1c(-c2cccnc2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1705734829 ZLTUYWRVOIRSAF-HSZRJFAPSA-N 469.634 2.164 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](c2cnn(C)c2)C1 1705912261 FBCXKDMGFHYQKM-MSOLQXFVSA-N 485.614 2.229 30 10 JEEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(OCCN2CCCC2)cc1 1706748130 GAWYKUACBKAXIH-NQIIRXRSSA-N 451.575 2.490 30 10 JEEE CCCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1709603561 BDYGKENVVUBDIV-UHFFFAOYSA-N 480.617 2.123 30 10 JEEE CS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(Oc2cncc(Cl)n2)CC1 1712700202 BSZPJLLNIBPDSC-UHFFFAOYSA-N 487.973 2.353 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@H](C)N1CCOCC1 1722295588 XPBRSPMGNUTMDE-MOPGFXCFSA-N 463.586 2.415 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2Cc2ccc(C)n(C)c2=O)c1 1722307865 XIYLATXVIXVPOG-UHFFFAOYSA-N 481.560 2.376 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CC1(CCOC)CCC1)[C@H]1CCS(=O)(=O)C1 1722366977 JYUULUHVBKSKFW-OALUTQOASA-N 450.605 2.006 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cn(C)c3ccccc23)n1CCN/C(O)=C1/N=CC=CC1=O 1722379585 USPJIXRLDFTNIJ-GYHWCHFESA-N 453.506 2.036 30 10 JEEE C=C(Br)Cn1c(N2CCN(C[C@@H]3CCOC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1722490003 VPOYRPGCEQZAEQ-GHTZIAJQSA-N 484.439 2.386 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CCC[C@@H](C(=O)NC)C1 1722694100 LJJRYLICQPZONV-GFCCVEGCSA-N 467.393 2.034 30 10 JEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCN(c2nc(C)c(C)s2)CC1 1722700816 VTQAXMGFECYKDJ-UHFFFAOYSA-N 472.644 2.336 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Br)c2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1722724043 LNHZGLMSCJUAFJ-QGZVFWFLSA-N 494.415 2.119 30 10 JEEE C[C@@H]1COCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](CC(N)=O)C1 1726740331 FUJNMHSVDOAINO-YZGWKJHDSA-N 452.559 2.493 30 10 JEEE COc1ccc(Br)c(-c2nnc(N(C)C[C@H](C)C#N)n2CCN2CCCS2(=O)=O)c1 1730029187 CHQKRYSEMFZLQR-CQSZACIVSA-N 497.419 2.348 30 10 JEEE COC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1)OC 1730463115 GNFKWXMLADDZNB-QHCPKHFHSA-N 495.628 2.003 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2Br)n1CCS(=O)(=O)NC(C)C 1740546853 YYHKOTSLRYWQJO-CQSZACIVSA-N 454.394 2.493 30 10 JEEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1740572051 ZCVXHMCMOSKYGC-OYRHEFFESA-N 466.634 2.109 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCN1CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1740620062 TVWIDTFZHDLFBV-AZUAARDMSA-N 457.600 2.065 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H]1CCCN(CC(C)C)C1)[C@H]1CCS(=O)(=O)C1 1740624545 IADZSROGFOQVFQ-GGAORHGYSA-N 484.670 2.259 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1CC1(O)CCCCC1)[C@H]1CCS(=O)(=O)C1 1740628898 WBVCHCAIFZJSCO-SFHVURJKSA-N 476.574 2.318 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCC(=O)NC1CC1 1740676629 IXOJBJMUWAYPGU-GOSISDBHSA-N 473.574 2.018 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@]2(OCC)CCOC2)n1CC(C)(C)C(=O)NC 1740678009 XNULGIBTUSIPRJ-DEOSSOPVSA-N 457.550 2.481 30 10 JEEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 1740680028 PLHSTMLTRMBBQD-RRFJBIMHSA-N 451.515 2.268 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCC)n1 1740688717 HYGSSOLDVPNWCF-HXUWFJFHSA-N 487.605 2.479 30 10 JEEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2CC2CCN(C(=O)OC)CC2)CC1 1740698439 FZDSENQZJBUDMN-UHFFFAOYSA-N 466.586 2.133 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CC2(O)CCCC2)CC1 1740703599 YGTXXVHHZZUIAY-UHFFFAOYSA-N 497.596 2.242 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2C[C@H]2CCCN2c2cnn(C)c2)CC1 1740705130 BJXZAFFDGVWDTC-HXUWFJFHSA-N 466.634 2.235 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CCCCN2CCN(CC)CC2)CC1 1740706461 YPUCVGNUIHJYIK-UHFFFAOYSA-N 471.694 2.250 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CC(C)(C)N2CCC(OC)CC2)CC1 1740706953 JNPPEUMKRHYVQF-UHFFFAOYSA-N 493.656 2.119 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2cnn(Cc3ccccc3)c2)CC1 1740707480 DIFWWVYWHQSPCB-UHFFFAOYSA-N 461.570 2.074 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(Cn2nc(C)cc2C)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1740734073 QESUKKAQIJFXPB-PXDATVDWSA-N 466.634 2.075 30 10 JEEE C=CCCOCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1740882277 GVRKLXWGBILVPK-UHFFFAOYSA-N 472.977 2.118 30 10 JEEE C=CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1740891485 CDCNXGSSIHWGGN-MBSDFSHPSA-N 456.595 2.442 30 10 JEEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)N(C)C(=O)OC(C)(C)C)C1CC1 1740905641 DESMWXNFHMIIGT-LSDHHAIUSA-N 456.613 2.299 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2cccc(F)c2F)C1 1740978962 AIHCSRSOEAHPSR-DLBZAZTESA-N 452.527 2.482 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CC[C@@H](c2ccccc2OC)C1 1740990104 ISVANCXUCQIYIU-QGZVFWFLSA-N 454.556 2.338 30 10 JEEE CCN1CCCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@H]1C 1746422385 ATQAWCDCBVWZOB-UYAOXDASSA-N 451.575 2.270 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCn2ccnc2C1 1748651743 PSCVYIYNPOJFJX-ROUUACIJSA-N 467.599 2.112 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1(C(=O)NCC)CCC1 1748666010 YVBJTPWZSYFJJP-MRXNPFEDSA-N 457.604 2.003 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(SC)cc1 1748670851 CWRQKLJSLJTHFS-QFBILLFUSA-N 463.629 2.034 30 10 JEEE C#CCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCN(CC(C)C)C(=O)C1 1748757795 LAAAURDTXQJWDU-UHFFFAOYSA-N 477.657 2.361 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1Cc1ccc(OC)nc1)[C@@H]1CCS(=O)(=O)C1 1748819737 SPJKPAQMLXFEFF-QGZVFWFLSA-N 487.532 2.226 30 10 JEEE C#CCN(c1nnc(CSc2ccc(C)cc2)n1CCCc1cnn(C)n1)[C@@H]1CCS(=O)(=O)C1 1748825377 YAVBHVDRUDYIGR-HXUWFJFHSA-N 499.666 2.267 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc(Cl)nc3)n2Cc2ccn(C)n2)n1 1748970811 TUSYKITWMACLBC-UHFFFAOYSA-N 465.949 2.258 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCCOC3)n2CC2(O)CCCCC2)n1 1748971607 WTDPFCGKIXQSOK-HXUWFJFHSA-N 456.591 2.350 30 10 JEEE C=C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCS(=O)(=O)NC(C)C)CC1 1749286396 KFBPLFYUURBHTN-UHFFFAOYSA-N 481.022 2.346 30 10 JEEE C=CC[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)CS(C)(=O)=O)c1ccccc1 1749384558 CYBQYMHBJLHFIV-SXLOBPIMSA-N 480.656 2.409 30 10 JEEE C=CCCOCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](NC(C)=O)C1 1749457300 IZKXQWMWPUYETK-WOJBJXKFSA-N 492.621 2.284 30 10 JEEE COCC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1749601700 AYOVCBYVNYZMHG-UTKZUKDTSA-N 480.491 2.109 30 10 JEEE COCC[C@](C)(O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1749612087 BPMNXEDAKIJWBK-VWLOTQADSA-N 496.591 2.265 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1749698344 TZPVFVNTJWGLLH-YLJYHZDGSA-N 497.415 2.039 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(Cl)=C(Cl)C1 1749721967 XRWNSFNUYVFSOZ-UHFFFAOYSA-N 471.370 2.426 30 10 JEEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1760127871 PJDMFBVPRUWBSF-UHFFFAOYSA-N 456.576 2.024 30 10 JEEE C#CCN(c1nnc(-c2ccccc2)n1C[C@@H](C)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1760185055 OMTNPPMDYFDHGY-MJGOQNOKSA-N 473.599 2.485 30 10 JEEE C#CCN(c1nnc(C2CCC2)n1CC(F)(F)C1(OC)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1760188243 NYJXOFSLLQHTGQ-QGZVFWFLSA-N 472.558 2.003 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC[C@@H]1CCO[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1760189407 OWIYSPFYKLXEQO-XUVXKRRUSA-N 457.600 2.480 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCC[C@@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1760189816 WWXHCSJNFQUJRO-UFYCRDLUSA-N 450.605 2.496 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCc1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 1760191402 GSJRNRHNSOWAEQ-JOCHJYFZSA-N 466.611 2.318 30 10 JEEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC2CCN(C(C)=O)CC2)CC1 1760261121 LNMUBFLMEMWIMV-UHFFFAOYSA-N 464.614 2.488 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCCc2ccnc(C(C)(C)C)n2)CC1 1760269040 WGDJDLKVNMVIBR-UHFFFAOYSA-N 487.612 2.421 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1760307108 NFDSBKCYWSFDBA-NSHDSACASA-N 469.281 2.160 30 10 JEEE C=C(C)COCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1760351794 MCUBJKWBDGKCPS-HXUWFJFHSA-N 484.557 2.028 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(c2nc(C)cs2)CC1 1760518380 SQSLAEKIMVHIQM-UHFFFAOYSA-N 453.572 2.347 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Br)cc2)nnc1N1CCO[C@@H](COC)C1 1760551712 PHBYCBWMBRVHTK-QGZVFWFLSA-N 485.404 2.160 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1C[C@@H](C)[C@H](C)C1 1760553301 AGYSMZPLFGOCHP-IAGOWNOFSA-N 470.599 2.368 30 10 JEEE Cc1nn(C)c(N2CCN(c3nnc(CC(C)C)n3CCCN3CCCCC3=O)CC2)c1C#N 1762402640 DLJZUBCNQKJIAX-UHFFFAOYSA-N 467.622 2.119 30 10 JEEE C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]2(C)[C@@]1(O)C(=O)[C@H](O)OP(=O)(O)O 1848437838 KJBJVISUYMGXJC-QPBUNNBVSA-N 452.440 2.188 30 10 JEEE C=CCNC(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(Br)o2)cc1 1858971600 ACTGGENUXPYCJV-UHFFFAOYSA-N 456.318 2.189 30 10 JEEE C=CCOC(=O)NS(=O)(=O)c1ccc(CCNC(=O)CCCN2C(=O)c3ccccc3C2=O)cc1 1859012646 MUVHAWGASJUICO-UHFFFAOYSA-N 499.545 2.023 30 10 JEEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1ccccc1[N+](=O)[O-] 1862629930 IGRIEWACCUUQCC-IBGZPJMESA-N 453.407 2.038 30 10 JEEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccccc2C(=O)O)c1 1862701616 JNRSQUPVHDFPLC-NRFANRHFSA-N 466.490 2.304 30 10 JEEE CC(C)(C)OC(=O)N(CCC(=O)N[C@H](CO)C(=O)Nc1ccc(C#N)cc1)Cc1ccncc1 1867086671 ZGZPHQRPWBUWOB-HXUWFJFHSA-N 467.526 2.196 30 10 JEEE CC[C@@](C)(NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(=O)N1CCN(C(C)=O)CC1 1868794734 FRBVMXHCORCPEK-AUSIDOKSSA-N 459.616 2.000 30 10 JEEE CC[C@H](C)[C@@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 1869929947 PMPPBJQDPLBUDE-GAJHUEQPSA-N 498.605 2.213 30 10 JEEE O=C(NCCc1cnc[nH]1)[C@@H](CSCc1ccccc1)N=C1NS(=O)(=O)c2ccccc21 1869932262 YMAHDTDNWANRDM-LJQANCHMSA-N 469.592 2.109 30 10 JEEE C=CCN(CC=C)c1nc(NC(=O)/C=C/c2ccc(OC)cc2)n([C@@H]2CCS(=O)(=O)C2)n1 1870002243 HABOVMHXJDPMNO-VEGGFIAOSA-N 457.556 2.477 30 10 JEEE C=CCN=c1nc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)[nH]c(=Nc2cccc(F)c2)[nH]1 1871544245 LNJLRAZKJVNOEW-UHFFFAOYSA-N 463.517 2.247 30 10 JEEE C=CCn1c(C(=O)N2CCN(Cc3ccccc3)CC2)cc2c(N3CCN(C)CC3)ncnc21 1873560944 CMSDEMKYRRQHHP-UHFFFAOYSA-N 459.598 2.327 30 10 JEEE C=CCn1c(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc2c(NCCNC(C)=O)ncnc21 1875230839 POUPGMULQZJXDA-UHFFFAOYSA-N 465.533 2.267 30 10 JEEE Cc1ncc(C(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)c(C)c1Br 1889300839 YOAWQABWEMHGBZ-UHFFFAOYSA-N 463.420 2.333 30 10 JEEE COc1ccc(C(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)cc1Br 1889437362 RXENJNKFDRSMJP-UHFFFAOYSA-N 464.404 2.330 30 10 JEEE C=C[C@]1(CO)COCCN1C(=O)c1cc(Br)ccc1I 2199859943 HTYVFCQTXGNZHH-AWEZNQCLSA-N 452.086 2.443 30 10 JEEE C#CCC[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 2230862892 QVHFDHUWDUOOKQ-RHQZKXFESA-N 465.591 2.273 30 10 JEEE C=CC1(NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](O)C(F)(F)F)CN(C(=O)OC(C)(C)C)C1 2246890643 VBTULNGTXQBDCD-RYUDHWBXSA-N 453.458 2.095 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@H]1NS(=O)(=O)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2255801161 ZHIZYCXYGRJYQN-DLBZAZTESA-N 452.382 2.071 30 10 JEEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1CC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2256639779 PQVRSZFKLCHPNO-OLZOCXBDSA-N 452.386 2.091 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(CNC(=O)[C@H](CO)CNC(=O)OC(C)(C)C)s1 2256677379 WVTMRXOWHWZHPB-AWEZNQCLSA-N 454.398 2.105 30 10 JEEE CN(C[C@@H]1COCCN1C(=O)OC(C)(C)C)C(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2267173399 KKCAQYJODNFYMK-CQSZACIVSA-N 467.397 2.150 30 10 JEEE CCO[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1NC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2267475403 KELRLRHQDRNZAW-MCIONIFRSA-N 467.397 2.243 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@H](CNC(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267488170 GMEUUKMNHLECLI-OAHLLOKOSA-N 450.341 2.192 30 10 JEEE Cc1c(C(=O)NCC[C@H](C)N(C)C(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2267493722 MMWUFJYEZKXRGH-AWEZNQCLSA-N 450.389 2.403 30 10 JEEE CN(Cc1ccccc1)[C@]1(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)CCOC1 2267537317 HKBGGOMAHOWVGS-QHCPKHFHSA-N 457.405 2.463 30 10 JEEE Cn1ncc(C(=O)N[C@@]23CCC[C@H]2CN(C(=O)OC(C)(C)C)C3)c1B1OC(C)(C)C(C)(C)O1 2281813921 HAFVVIHQKVIPCW-NPMXOYFQSA-N 460.384 2.239 30 10 JEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CCNC(=O)C2CC(B3OC(C)(C)C(C)(C)O3)C2)C1 2281925603 YYUYBQDLERGYNB-JCYILVPMSA-N 486.440 2.399 30 10 JEEE COc1ccc(C(=O)N2CC[C@](C)(NC(=O)C(F)(F)F)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2281935911 GSKDAVHUKRKOST-FQEVSTJZSA-N 456.270 2.278 30 10 JEEE Cn1nc(C(=O)NC[C@@H]2N(C(=O)OC(C)(C)C)CCC2(C)C)cc1B1OC(C)(C)C(C)(C)O1 2281969241 KIEQKUFYWYLEQV-INIZCTEOSA-N 462.400 2.485 30 10 JEEE Cc1nn(C)c(C(=O)NC[C@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)c1B1OC(C)(C)C(C)(C)O1 2281980203 AIKCTFIHDBDIPV-WNSKOXEYSA-N 460.384 2.015 30 10 JEEE Cc1nc(C(=O)N[C@@H]2CO[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)c(B2OC(C)(C)C(C)(C)O2)s1 2282014150 OIIPHNYUTYZGHF-RRFJBIMHSA-N 479.408 2.115 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2[C@@H](CC[C@H]2NC(=O)OC(C)(C)C)C1 2282042899 KGAWQIULMJDWST-ZMSDIMECSA-N 460.384 2.095 30 10 JEEE Cn1cc(C(=O)NCCC2CCN(C(=O)OC(C)(C)C)CC2)nc1B1OC(C)(C)C(C)(C)O1 2282063970 STXVDOZYUUNRJG-UHFFFAOYSA-N 462.400 2.486 30 10 JEEE C[C@@H](CCCN(C)C(=O)OC(C)(C)C)NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282339140 WBBHQHFWQIBGCS-HNNXBMFYSA-N 486.444 2.033 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2CCC[C@@]2(NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2283071656 HNCFDUSJQXHZOP-IQMFZBJNSA-N 458.368 2.295 30 10 JEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CC(=O)N[C@@H]2CCC=C2B2OC(C)(C)C(C)(C)O2)C1 2283961320 FZMYNOHURLJLPH-NVXWUHKLSA-N 484.424 2.247 30 10 JEEE Cc1nc(NC(=O)c2c(NC(=O)OC(C)(C)C)cnn2C)ncc1B1OC(C)(C)C(C)(C)O1 2283967808 GYRPDXZZULAANG-UHFFFAOYSA-N 458.328 2.417 30 10 JEEE Cc1cc(C)c(C)c(S(=O)(=O)N=C2C=C3N(CCO)CCO[C@@]3(O)c3ccccc32)c1C 2293308495 NCQREQTZXWVHTB-DEOSSOPVSA-N 456.564 2.465 30 10 JEEE COC(=O)c1ccc([C@@H]2C(=C(O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN(C)C)cc1 2296552192 VUECJBMJNZXFTI-OAQYLSRUSA-N 466.490 2.228 30 10 JEEE CC(=O)NCc1nnc(SCC(=O)Nc2ccc(F)cc2)n1N=Cc1ccc2c(c1)OCCO2 2330731380 DBIDZUFNVHBULL-UHFFFAOYSA-N 484.513 2.438 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1CCN(C(=O)OC(C)(C)C)C12CC2 2362344152 NXPKVNZDUHANKG-OAHLLOKOSA-N 460.384 2.239 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@@H]1CNc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2365061436 UUYBAMTYIVQKDW-RQDMYOKZSA-N 461.368 2.479 30 10 JEEE CC(C)(C)OC(=O)N1CC([C@@H]2C(=O)NCCN2C(=O)C2CC(B3OC(C)(C)C(C)(C)O3)C2)C1 2379813069 GHZKYJVXZZYHHI-BDVYOWHSSA-N 463.384 2.053 30 10 JEEE N#Cc1ccccc1S(=O)(=O)N1CCC[C@H](c2nc(=O)c3nnn(Cc4ccc(F)cc4)c3[nH]2)C1 20463125 LUHLDXOKENYDIJ-KRWDZBQOSA-N 493.524 2.142 30 10 JEEE Cc1nn(C(C)C)c(C)c1/C=N/Nc1nnc(SCC(=O)NCCc2ccccc2)n1N 20911482 JGAWQTZLPPQGGW-WYMPLXKRSA-N 455.592 2.283 30 10 JEEE CCN1CCN(CCNC(=O)c2ccc(N3CC(=O)C(c4nc5ccccc5s4)=C3N)cc2)CC1 64838307 OUFZMBCUFRTIDP-UHFFFAOYSA-N 490.633 2.380 30 10 JEEE CCOc1ccc(C(=O)NCC(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)cc1 1165557867 BPUFJKDRICKXGD-UHFFFAOYSA-N 458.522 2.426 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)(C)C)n2C[C@@H]2CCCN2CCCO)c1 1286310411 YGAOAXJAUFLWGO-NRFANRHFSA-N 452.603 2.479 30 10 JEEE C#CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1286495899 HXIFOTICAUEJDR-FQEVSTJZSA-N 484.029 2.404 30 10 JEEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1286499095 DBDJJGOPJDVSNO-GOSISDBHSA-N 470.599 2.369 30 10 JEEE C#CCSCCn1c(Cc2ccncc2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1286508488 SGOPFAJHMOISNI-REWPJTCUSA-N 481.670 2.009 30 10 JEEE C=C(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1286588066 KAMRZGGNICGVPO-UHFFFAOYSA-N 479.603 2.455 30 10 JEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2nccc(C(F)(F)F)n2)CC1 1286637903 OWVMWLWWBJRWMY-CYBMUJFWSA-N 459.498 2.096 30 10 JEEE C=CC1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CCS(=O)(=O)NC(C)C)CC1 1286660321 INDGVOSNMAZERW-UHFFFAOYSA-N 499.641 2.405 30 10 JEEE C=CCCOCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1286712907 OFQPPHWZSCRBER-UHFFFAOYSA-N 487.004 2.042 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1NC(=O)CC1(C)C 1286741244 FALRVJMHDXGAGH-WOJBJXKFSA-N 482.610 2.159 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCc2cnc3c(Cl)cnn3c2)C1 1286799274 URONLARSMCJHNL-INIZCTEOSA-N 458.954 2.136 30 10 JEEE C[C@@H]1OCC[C@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1291323057 FODGITHSRWLULK-NQYLQCIDSA-N 467.448 2.036 30 10 JEEE CC[C@H]1CCCCN1CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1293364359 FKFUPKJRPUUSDX-GOTSBHOMSA-N 465.602 2.423 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1c(CC)nn(C)c1OC 1300280738 AMSLZOYYDGFQKC-OAHLLOKOSA-N 456.572 2.159 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2Cc2c(CC)nn(C)c2CC)c1 1300331842 RXCXERFMXLLKMT-UHFFFAOYSA-N 490.612 2.379 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CC[C@@H]1CCO[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1300482217 DREUJXCEICQHBZ-CTVDGRRTSA-N 494.658 2.151 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCCCCOC)[C@@H]1CCS(=O)(=O)C1 1300489136 JGPLWPRFLARBCC-QGZVFWFLSA-N 451.980 2.437 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cc2ccccc2s1 1300538991 WJYKLPDPKBUTGZ-HXUWFJFHSA-N 483.619 2.141 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCCN2CCOC2=O)CC1 1300715883 HHNOUMIGAPLMAK-SFHVURJKSA-N 498.559 2.365 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccccc2)CC1 1300716698 OTVXNRNTFSBEAN-RUZDIDTESA-N 451.571 2.333 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@H](C)N2CCC[C@@H](C)C2)CC1 1300719979 YARWXNKKLQRICN-UXHICEINSA-N 451.619 2.370 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1ccco1 1301339317 MHNFVYAGWVGNTD-HXUWFJFHSA-N 494.577 2.267 30 10 JEEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1301436209 UVUHPKZTRAQDBW-GOSISDBHSA-N 458.588 2.117 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2CCCNC(=O)c2cccc(O)c2)C1 1301556891 KDOSFGUDLYOBPD-PZJWPPBQSA-N 455.559 2.479 30 10 JEEE CC(C)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1)N1CCOCC1 1302512002 ANJYLRNLVVBGRU-FCHUYYIVSA-N 486.642 2.187 30 10 JEEE CCC[C@](C)(O)Cn1c(CN2CCCC2=O)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1306546125 FWKQKAQAAGSLHL-VWLOTQADSA-N 465.602 2.145 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccsc3)n2CCN2CCCS2(=O)=O)c1 1358903176 NFYUOBBUYIXBMC-UHFFFAOYSA-N 498.634 2.022 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1c(C)coc1C)[C@H]1CCS(=O)(=O)C1 1358957149 QICQEDIUXSPKMN-CVDCTZTESA-N 476.599 2.204 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H](CC)OC)[C@@H]1CCS(=O)(=O)C1 1358958459 ONMWGFVYZMRFEY-QZTJIDSGSA-N 462.572 2.014 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC1(CCOCC)CC1)[C@@H]1CCS(=O)(=O)C1 1358960791 LYLZFAABESUFAQ-LJQANCHMSA-N 457.600 2.482 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CC1CCC(OC)CC1)[C@@H]1CCS(=O)(=O)C1 1358965721 ZXZMPRNJRWIKQG-VEDCXYSMSA-N 457.600 2.096 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1CCCn1cc(Br)cn1 1358984424 UVGXUVLIRIFSFG-WMZOPIPTSA-N 461.364 2.124 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C/C=C/CC 1359017245 YLFHFOKSWMKAEM-YJJPMGAVSA-N 461.563 2.356 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@H](C)N2CCOCC2)CC1 1359041088 MXPMWGUJGKYCTN-PMACEKPBSA-N 498.603 2.244 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCCN(C)C(=O)OC(C)(C)C)CC1 1359044439 GFCXPOQOVWQZPV-IBGZPJMESA-N 474.606 2.005 30 10 JEEE C=CC1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC(=O)NCC2CC2)CC1 1359175338 IGZWVKQSRYOWDC-UHFFFAOYSA-N 472.615 2.124 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCN2C(=O)OC[C@]2(C)C1)C(C)C 1359264669 LSIJJNOPCIOSCP-NLFFAJNJSA-N 485.633 2.244 30 10 JEEE CCCCN(C)CCn1c(Cc2ccccn2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1500419500 IFJDYKXCAADJIN-UHFFFAOYSA-N 476.633 2.236 30 10 JEEE CSc1cccc(F)c1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N 1505206889 HDMTYFKAXJPRGN-PBHICJAKSA-N 482.607 2.116 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@H]1CCCN1S(C)(=O)=O 1507532123 GIFZCAFIDRFUII-SJLPKXTDSA-N 454.556 2.482 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](OC)C(C)(C)C)c1 1507545693 ADGVMNHLYXWOQM-LPHOPBHVSA-N 490.630 2.006 30 10 JEEE C#CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1507589953 AIQBIFSEUKJLOT-ZWKOTPCHSA-N 457.579 2.020 30 10 JEEE C#CCN(c1nnc(C2CC2)n1C[C@@H](c1c(F)cccc1F)N(C)C)[C@@H]1CCS(=O)(=O)C1 1507631152 MOSSLXLMINMMGI-APWZRJJASA-N 463.554 2.363 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC1(O)CCCCCC1)[C@H]1CCS(=O)(=O)C1 1507632324 ZDAIWSNECTUHLI-IBGZPJMESA-N 457.600 2.361 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1CCC2(C1)OCCO2 1507637466 QBCWTSSQTYQARQ-IBGZPJMESA-N 467.957 2.478 30 10 JEEE C#CCN(c1nnc(COCC)n1Cc1nc2cccc(Cl)c2n1C)[C@H]1CCS(=O)(=O)C1 1507638499 RNWACPFSIARPFL-HNNXBMFYSA-N 476.990 2.030 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2CC(=O)N(C)CC)CC1 1507720895 GOIVIHIDZPMFDT-IBGZPJMESA-N 454.575 2.050 30 10 JEEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2CC(=O)NC2CCCCC2)CC1 1507729671 JRWWCTUNCJFMDK-UHFFFAOYSA-N 456.541 2.351 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCCc2nnc(C)s2)CC1 1507736947 WEYPMWYOJZFDPV-UHFFFAOYSA-N 450.572 2.099 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2cc(COC(C)(C)C)on2)CC1 1507739104 MSYLKGGHUSEXPB-GOSISDBHSA-N 470.574 2.099 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CCCN(C)CC(F)(F)F)CC1 1507740718 XLETYNVYDAQITP-UHFFFAOYSA-N 497.591 2.484 30 10 JEEE C#CCSCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(C(=O)NCC)CC1 1507744779 PBXGOGLEUZGDIZ-UHFFFAOYSA-N 488.614 2.189 30 10 JEEE C#CCSCCn1c(N2CCC(Nc3cccnn3)CC2)nnc1[C@@]1(OCC)CCOC1 1507757730 BMVGDZWRJJFZIH-JOCHJYFZSA-N 457.604 2.168 30 10 JEEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)CCN(C)c1ccccc1 1507774734 BCBVQDDVNUNGIJ-HNNXBMFYSA-N 471.425 2.370 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)Nc1c(C)cccc1C 1507820744 LPTXFHBPWKSLGZ-LJQANCHMSA-N 490.630 2.269 30 10 JEEE C=C(C)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCN(CCOC)CC1 1507830092 SOQKNZZVUUWPHH-UHFFFAOYSA-N 451.575 2.410 30 10 JEEE C=C(Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1)c1ccccc1 1507850502 MGVMEGGDCMPLET-UHFFFAOYSA-N 490.612 2.026 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(Cn2cccn2)CC1 1507916808 UXCJINGHEGAHAN-FQEVSTJZSA-N 491.662 2.326 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC=CCO1 1508003266 WJSTXPKQCBRWIT-RTWAWAEBSA-N 473.599 2.149 30 10 JEEE C=CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1508060931 GZLXQFMEZBAFLU-AZUAARDMSA-N 468.606 2.006 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1c1nc2ccccc2s1 1508074858 NSYXSSQJSIWYOJ-ZBFHGGJFSA-N 489.627 2.142 30 10 JEEE CCc1cnc(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@@H](CNC(C)=O)C2)s1 1513698700 HIXHKMRLASDRGJ-IBGZPJMESA-N 465.583 2.420 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCN(C)CC(F)(F)F 1538973182 LTDBJCUUEZOENF-CQSZACIVSA-N 471.553 2.499 30 10 JEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCOc1ccc(Cl)cn1 1539171045 FMNDPTUQIWGLLK-UHFFFAOYSA-N 459.963 2.435 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC[C@@H]2CCO[C@@H](C)C2)CC1 1539469234 PEESABTWNKIHKJ-DFIYOIEZSA-N 473.618 2.101 30 10 JEEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2c(C#N)cnc3ccccc23)CC1 1539683564 ZZLQNOCOXVTKIO-QGZVFWFLSA-N 480.598 2.211 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCO[C@@H](COC(C)C)C1 1540867256 PSYYCHHZVPMIDF-LJQANCHMSA-N 450.543 2.426 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1Cc2cc(Br)ccc2[C@H](C)C1 1540869720 VACFHDMDIVFWBE-CXAGYDPISA-N 473.375 2.418 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCC(COC)CC1 1540869857 YUBALCWKMCOISK-UHFFFAOYSA-N 479.585 2.401 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccc(C(C)(C)O)c2)C1 1540893246 ZEUGQQSTEMIGFO-AZUAARDMSA-N 460.600 2.237 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCN(C(=O)c3cccc(F)c3)CC2)nnc1C(C)(C)C 1540908601 JRXPFICDRAWKHC-UHFFFAOYSA-N 463.579 2.278 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1CCCN1CCOCC1 1541659550 AKMGPPMJQWBAAP-UHFFFAOYSA-N 481.601 2.058 30 10 JEEE CCCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1547004107 BHKRLICMPUJXLJ-UHFFFAOYSA-N 459.620 2.020 30 10 JEEE COC1(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCN(CC(=O)NC(C)C)CC2)CCC1 1554706542 BABMHCBUKDYEQF-UHFFFAOYSA-N 465.602 2.423 30 10 JEEE C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)N(CCC#N)CCCN(C)C)cc2)C[C@@H](C)O1 1562106795 HEFVUWNEFMPUMO-HDICACEKSA-N 451.593 2.184 30 10 JEEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 1587909683 QNBIIZYFPDNSOO-DYXWJJEUSA-N 458.632 2.258 30 10 JEEE C#CCN(c1nnc(COc2ccccc2OCC)n1Cc1ccc(C#N)o1)[C@H]1CCS(=O)(=O)C1 1588070400 ZVNYDNILZLRUHH-SFHVURJKSA-N 495.561 2.395 30 10 JEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1588159339 TWMAVBQDDZUKNV-IBGZPJMESA-N 489.605 2.011 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccccc1Cl)N(C)C 1588647661 XJVWWDDVALALJG-YLJYHZDGSA-N 480.034 2.223 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)cn2C)n1C[C@H]1CCS(=O)(=O)C1 1589164156 RROBIPSNJGXPPW-AUUYWEPGSA-N 466.405 2.473 30 10 JEEE C=CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1594582812 UTKFGBFOQSERDR-QUCCMNQESA-N 472.615 2.267 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1CCC[C@H](C)C1 1595302811 FHOFMLIYPWVSMN-OALUTQOASA-N 453.653 2.330 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 1595798160 MOBFYVDUGDARSL-UHFFFAOYSA-N 457.600 2.038 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1Cc1ccnc(N2CCCCC2)c1 1611658618 GRBOZXIPNQBNAX-IRXDYDNUSA-N 460.608 2.060 30 10 JEEE COc1cc(OC)c(CNC(=O)Cn2c(C)c(Br)cc(C#N)c2=O)c(OC)c1 1656439474 GQNBXERQXAWRMK-UHFFFAOYSA-N 450.289 2.133 30 10 JEEE C[C@H](NC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1)c1cccc(S(=O)(=O)N(C)C)c1 1678210358 CSMQNGOIADBJJK-GHTZIAJQSA-N 455.584 2.417 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1CCN(C)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1689991039 UVVYLJDJIMGUGV-QGZVFWFLSA-N 467.636 2.360 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccnc1OCC(F)(F)F 1689999440 AXWAGMHTFMFUER-UHFFFAOYSA-N 469.427 2.383 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)CC1 1690139362 JTFFOOQSRWTJRP-HXUWFJFHSA-N 492.555 2.296 30 10 JEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)CC2CCCCC2)CC1 1690154580 SORLHWFUEBXNNC-UHFFFAOYSA-N 460.648 2.402 30 10 JEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1690644550 RUOIHMDLUNNVMC-KRWDZBQOSA-N 477.610 2.403 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1690665366 AXNAGGVTLMCTBU-KRWDZBQOSA-N 455.559 2.396 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CC(C)(C)OC[C@@H]1C 1690722943 BRMXVTHCESQQCW-HNNXBMFYSA-N 472.571 2.198 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1690730165 ZCYKGKLXWSJBMF-QFBILLFUSA-N 494.017 2.168 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(CS(C)(=O)=O)cc1 1705479681 NRYNTLNPRVIAGR-WZONZLPQSA-N 460.600 2.370 30 10 JEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(Cn2ccnn2)CC1 1705526844 QLFZCZLTOAAJDW-UHFFFAOYSA-N 482.614 2.117 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1705706569 WXTPOXOOFNKDQH-SBHAEUEKSA-N 462.620 2.134 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1705707209 GZPYJWZOFVYXDE-XPNTWCBSSA-N 474.650 2.491 30 10 JEEE C=C(C)Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1705728115 WNXLZABTFURUII-GCJKJVERSA-N 454.623 2.095 30 10 JEEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1705823045 ZMAZRPAQPZGOJO-IBGZPJMESA-N 457.648 2.452 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCn1cc(C)cn1 1705861493 HIIKFPIZKMXQQF-OAQYLSRUSA-N 485.614 2.009 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCCN(c2ccccc2)CC1 1705894484 AHONFWOHNQPLPV-UHFFFAOYSA-N 453.591 2.215 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1705908032 FWJXWPYWSPVDJV-HXOBKFHXSA-N 473.599 2.265 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC(F)(F)F 1705913747 WTDKBKOWTNAEPM-KRWDZBQOSA-N 489.520 2.223 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2NC(=O)CC2(C)C)C1 1705929270 MVZBGFUFEDTYCG-WOJBJXKFSA-N 450.543 2.425 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC[C@H](C(=O)OC)C1 1705937550 XLNQPKUGHZQDDV-KRWDZBQOSA-N 471.583 2.340 30 10 JEEE CC(C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1706632563 BJZNTIBXYPIOIF-KRWDZBQOSA-N 477.491 2.236 30 10 JEEE COC1CCC(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCN(S(C)(=O)=O)CC2)CC1 1712033192 DUFWIQZMFTYIGO-UHFFFAOYSA-N 472.615 2.494 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CC1(C(N)=O)CCOCC1 1722283582 SUMCUFNTMJYGML-CQSZACIVSA-N 476.375 2.456 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccccc1CN1CCC[C@@H]1CO 1722305965 NAKSAMLBSCJNDC-LSUHJGNXSA-N 467.614 2.465 30 10 JEEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1722330249 QVKXNXGFNFNSPW-OAHLLOKOSA-N 456.494 2.419 30 10 JEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1Cc1ccc(C)n(C)c1=O)[C@@H]1CCS(=O)(=O)C1 1722358530 CQAOLVTWABYYGR-HXUWFJFHSA-N 485.997 2.281 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1Cc1nc(C(C)C)cs1)[C@@H]1CCS(=O)(=O)C1 1722358955 NXJUMCZBFLRXKN-MRXNPFEDSA-N 499.622 2.180 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CCC=C(C)C)[C@H]1CCS(=O)(=O)C1 1722362790 BXYVUCQSPLSXDF-UGKGYDQZSA-N 450.605 2.302 30 10 JEEE C#CCN(c1nnc(CSc2ccc(Cl)cc2)n1CCn1cncn1)[C@@H]1CCS(=O)(=O)C1 1722369670 DMNFZOJGHYPTHA-QGZVFWFLSA-N 492.030 2.142 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CCCc1c[nH]nc1C)[C@@H]1CCS(=O)(=O)C1 1722371600 XENFPFYTAKDJFD-HXUWFJFHSA-N 486.573 2.287 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@]1(O)CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1722372069 ORHUDFXSZAAOIA-JXALWOEJSA-N 472.611 2.343 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2Cc2ccccc2OCCN(C)C)CC1 1722446333 SBDOVUVQJQMZDR-UHFFFAOYSA-N 487.608 2.295 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)C1CCCCC1 1722518263 YABGBCABFABNCX-KNQAVFIVSA-N 469.652 2.345 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCOc2cccc(OC)c2)CC1 1722565897 FFNFVMRYYUMMHL-NRFANRHFSA-N 491.614 2.245 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCOC2(CCC2)C1 1722704143 ORLHWSCJCLYJRU-KRWDZBQOSA-N 460.579 2.412 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@]2(N(C)C)CCSC2)C1 1722708810 DLXRUIHZRIHELE-VGSWGCGISA-N 457.604 2.144 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCC(Cn2ccnn2)CC1 1722725050 CTHGHHFENVZSGN-UHFFFAOYSA-N 471.587 2.063 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC(CN2C[C@H](C)O[C@H](C)C2)CC1 1722725854 USGGZGIBNOMZPH-BGYRXZFFSA-N 488.658 2.267 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCC[C@@H]2c2ccco2)nnc1[C@]1(OCC)CCOC1 1722731267 IQRMDPHWIYEDIZ-UTKZUKDTSA-N 450.561 2.466 30 10 JEEE Cc1cccc(CCn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)n1 1724527796 DQVILTSAKDNFBJ-OAQYLSRUSA-N 466.567 2.298 30 10 JEEE CS(=O)(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCC2(O)CCC2)C1 1730997285 ASVSQXRKTCXEOD-LJQANCHMSA-N 459.572 2.047 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2C[C@H](C)CN2CCOCC2)c1 1740564451 NDRHONMNQNRVLB-OAQYLSRUSA-N 487.608 2.288 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1CCCN(c2ccccc2)C1 1740592017 SFAGAKOGLQVMNG-FGZHOGPDSA-N 486.642 2.130 30 10 JEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1CCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1740624174 DDLAHFAQUDUZNV-HXUWFJFHSA-N 462.019 2.245 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[C@@H](OC)C(F)(F)F)CC1 1740697602 LJPVIBAFMPDVTE-GOSISDBHSA-N 485.532 2.071 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2Cc2snnc2C)CC1 1740704585 TYQMBSZPTHYQSA-UHFFFAOYSA-N 451.556 2.128 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2CC2(N(C)C)CCOCC2)CC1 1740707810 QPXBDEQYOIRKKX-UHFFFAOYSA-N 498.603 2.073 30 10 JEEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC(S(C)(=O)=O)CC1 1740710904 CUYIBDPQJLAUSH-UHFFFAOYSA-N 464.613 2.342 30 10 JEEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(Cl)s1 1740716908 DPCGQAIUEOBAAU-OAHLLOKOSA-N 490.076 2.329 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)CCC)CC1 1740762553 UWRDXGVWJOTBOB-LQWHRVPQSA-N 479.647 2.047 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](c2ccc(OC)cc2)C1 1740782616 WTQGCSXPPFYUCQ-UYAOXDASSA-N 461.588 2.190 30 10 JEEE C=CC1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCOCCS(C)(=O)=O)CC1 1740839011 DOEAQERHIBZVCI-HXUWFJFHSA-N 462.572 2.254 30 10 JEEE C=CC[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)COC)CC1)c1ccccc1 1740854199 DNOLEMJPJQIXBP-FPOVZHCZSA-N 466.586 2.321 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(Cl)cc1OC)C1CC1 1740910778 SMDUAUZGXCHVTD-IBGZPJMESA-N 482.006 2.476 30 10 JEEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1740961833 ZLRMGGWEUPNYPC-INIZCTEOSA-N 460.529 2.190 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCNC(=O)c2cccs2)C1 1740970094 DRNSRVQQXMFISZ-MRXNPFEDSA-N 467.555 2.198 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2C[C@]2(C)COCCO2)c1 1748694707 LWEGBTNTEKNSRZ-RUZDIDTESA-N 460.538 2.126 30 10 JEEE C#CCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1748724302 RCVMKFXZSICCID-UHFFFAOYSA-N 475.597 2.277 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@](C)(O)CCC)[C@H]1CCS(=O)(=O)C1 1748808383 KRKGNGSJEIGPFZ-FDDCHVKYSA-N 476.599 2.140 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCC1CCC(OC)CC1)[C@@H]1CCS(=O)(=O)C1 1748823801 BPLVQSBORFZBMJ-HHEBOYGLSA-N 494.658 2.224 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCOC3)n2Cc2nc(C)cs2)n1 1748971308 LDFOOLLFXRHUTR-SFHVURJKSA-N 455.588 2.468 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@]2(N(C)C)CCSC2)CC1 1749006104 INHWMHCJDNHMPP-RUZDIDTESA-N 482.654 2.357 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1749039569 WSQPHDVMLXNTRH-KZNAEPCWSA-N 497.687 2.286 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)C1CCN(CCn2cccn2)CC1 1749116070 ZLEQNXJKBJEFGA-IRLDBZIGSA-N 484.649 2.195 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CCOC(C)C)CC1 1749118031 BNCJTVZTKKDSOM-IFMALSPDSA-N 483.617 2.454 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@]2(CCOC2)C1 1749670870 WAFWXMSMLXRTLA-KOSHJBKYSA-N 474.606 2.312 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCN(CCOc3ccccc3)CC2)nnc1C(C)(C)C 1749740663 XJQWYMBFNCQNKB-UHFFFAOYSA-N 461.632 2.377 30 10 JEEE Cc1cc([C@@](C)(O)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)c(C)o1 1751384377 HTHWCTMNQJEAJC-FYSMJZIKSA-N 498.609 2.404 30 10 JEEE C#CCN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CCCCS1(=O)=O 1760239133 XOXKDJNRQWRMTQ-KSZLIROESA-N 465.620 2.476 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](CC)c3ccccc3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1760265842 KDMKUKBWEHTGSF-SNOBZRMMSA-N 465.598 2.326 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@H]2CCC(F)(F)C2)CC1 1760266196 RYORDCHWUWAWOM-DLBZAZTESA-N 453.534 2.403 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCC2(C)CC2)CC1 1760267192 UWINFLGTLVKKRW-UHFFFAOYSA-N 498.653 2.351 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2CC2(N(C)C)CCOCC2)CC1 1760268570 UPJTUJSSSDTTCY-UHFFFAOYSA-N 464.614 2.330 30 10 JEEE C=C(Cl)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCS(=O)(=O)CC1 1760374027 HECKKXYSVKERBD-UHFFFAOYSA-N 460.000 2.380 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)c2nccs2)CC1 1760389308 HYLWUWWHIMOOEC-CVEARBPZSA-N 452.606 2.028 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)N(C)c2ccccc2)CC1 1760389871 VYCGCOXADVHXCY-CTNGQTDRSA-N 474.631 2.292 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(OC)nc2ccccc12 1760495128 FYRWPAICDQGBHJ-NRFANRHFSA-N 498.609 2.395 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCC2(CC2)C1 1760522373 RVAGBOXSIZNAOE-QGZVFWFLSA-N 460.579 2.269 30 10 JEEE Cc1cnn(C[C@H]2CN(c3nnc(COc4ccc(C#N)cc4)n3CCN(C)C(C)C)CCO2)c1 1762187537 AMPZSSSJPPWROY-HSZRJFAPSA-N 478.601 2.479 30 10 JEEE C[C@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@](C)(O)c1cccs1 1762697944 CVXQRLFBKRSWOS-QMHKHESXSA-N 466.567 2.365 30 10 JEEE CC1CCN([C@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C)C(=O)C2)CC1 1762947802 DABLASLUNNVUCX-LJQANCHMSA-N 451.575 2.128 30 10 JEEE CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1Cc1ccc(C[S@@](C)=O)cc1 1766400530 HSMWIFPBFAJLHY-UUWRZZSWSA-N 479.610 2.335 30 10 JEEE CCS(=O)(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCC[C@H](C)C2)CC1 1768274699 BUCNIQSHRUVILH-IBGZPJMESA-N 485.658 2.457 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@@H](OC)C1 1772660113 JUMQYOSTBWAVCH-QGZVFWFLSA-N 450.561 2.178 30 10 JEEE Cc1n[nH]c(C)c1S(=O)(=O)Nc1ccc2c(c1)OCCN2S(=O)(=O)c1ccccc1C#N 1858486853 YMHXXSSTGSTJSE-UHFFFAOYSA-N 473.536 2.287 30 10 JEEE COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2CCCNC=O)cc1 1862573584 GELPSOVQNFXPOH-NRFANRHFSA-N 482.489 2.205 30 10 JEEE COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](CO)NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1 1866865928 BOCRKAUBDARNED-ZWKOTPCHSA-N 487.538 2.057 30 10 JEEE Cc1ccc([C@H](C#N)NC(=O)CNC(=O)c2ccc3c(c2)C(=O)N([C@H](CC(C)C)C(=O)O)C3=O)cc1 1867462217 UVMFQKYKOFKFPQ-LEWJYISDSA-N 490.516 2.201 30 10 JEEE C=CCN(CC=C)C(=O)[C@H](CSCc1ccccc1)NC(=O)C[C@H]1CCS(=O)(=O)C1 1868591669 PMDKTAWXWDORCU-UXHICEINSA-N 450.626 2.430 30 10 JEEE CSCC[C@H](NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(=O)N1CCN(C)CC1 1868781975 CRIBGOPLEALOLV-RBUKOAKNSA-N 463.673 2.037 30 10 JEEE N#Cc1cccc(C(=O)Nc2nc(N3CCN(CCO)CC3)nn2-c2ccccc2Cl)c1 1870012675 CTEJVZOGVXVBEQ-UHFFFAOYSA-N 451.918 2.159 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)OCCOc2ccccc2)cn1CCCO 1870328612 HILIJGHWJHWTCD-UHFFFAOYSA-N 456.539 2.406 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)N(C)C[C@@H]2CCCO2)cn1Cc1cccnc1 1870550844 URQVFGXTPPXATI-QHCPKHFHSA-N 466.582 2.482 30 10 JEEE CN1CCN(CC#CCOC2CCN(C(=O)c3ccc([N+](=O)[O-])cc3Br)CC2)CC1 1890250980 KPBOCPZSTVHHRP-UHFFFAOYSA-N 479.375 2.229 30 10 JEEE CCCCOc1ccc(S(=O)(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)cc1 1891362791 DZOLHIULNQEIKF-UHFFFAOYSA-N 463.644 2.286 30 10 JEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)NC1CC(B2OC(C)(C)C(C)(C)O2)C1 2124539121 QPLKRWLRYAMPAS-UYSNPLJNSA-N 472.413 2.152 30 10 JEEE COC[C@@H](ONC(=O)OC(C)(C)C)C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2128727603 GRMUHSMUGVAQDH-QGZVFWFLSA-N 450.341 2.073 30 10 JEEE C#CCN(C(=O)[C@H]1C[C@H](O)CN(C(=O)OC(C)(C)C)C1)C1CCN(C(=O)OC(C)(C)C)CC1 2136212867 MQOLRFZWMLOCLV-HKUYNNGSSA-N 465.591 2.466 30 10 JEEE C[C@@H](C(=O)N1C[C@H]2[C@H](B3OC(C)(C)C(C)(C)O3)[C@H]2C1)N1CCN(C(=O)OC(C)(C)C)CC1=O 2180986935 IWDSHXYULHATFL-LISAXSMJSA-N 463.384 2.005 30 10 JEEE C=C1CC(NC(=O)OC(C)(C)C)(C(=O)N2C[C@@H]3CN(C(=O)OC(C)(C)C)[C@@H](CO)[C@H]3C2)C1 2220107814 CJXGCWNZMPKBMX-IKGGRYGDSA-N 451.564 2.286 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NCCC2(OC)CN(C(=O)OC(C)(C)C)C2)C1 2255195640 BZKYIIHTOLJLMS-UHFFFAOYSA-N 451.564 2.435 30 10 JEEE CC(C)(C)OC(=O)NC1CC(O)(C(=O)NCc2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2256672078 BGXNALXEXPGMBS-UHFFFAOYSA-N 452.382 2.082 30 10 JEEE CC(C)(C)OC(=O)N1CCC(F)(CNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CC1 2267097824 SORMEUUGXOSQGS-UHFFFAOYSA-N 452.336 2.178 30 10 JEEE CC(C)(C)OC(=O)NCC1(F)CC(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2267146191 JBPVYAFOIDYQHD-UHFFFAOYSA-N 452.336 2.082 30 10 JEEE C[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2267366215 CICBMLWZBKNCQL-YPMHNXCESA-N 482.355 2.267 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H](C(=O)NCc2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2268628015 BHKKAYLLEORMIW-HUUCEWRRSA-N 466.409 2.281 30 10 JEEE CO[C@H](CNC(=O)OC(C)(C)C)C(=O)N1CCc2sc(B3OC(C)(C)C(C)(C)O3)cc2C1 2268643726 ZBCJMRFYQZDCPP-OAHLLOKOSA-N 466.409 2.472 30 10 JEEE C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)ccc1F 2268655295 KDGQHVRXKMVBFZ-GUYCJALGSA-N 452.332 2.015 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)CC[C@H]1C(=O)NCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2279285970 NBMQVIMNBXBIFO-MOPGFXCFSA-N 460.380 2.362 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H](NC(=O)OC(C)(C)C)C2(CC2)C1 2282006874 ZBRZNRRFOCRROL-HNNXBMFYSA-N 460.384 2.157 30 10 JEEE C[C@@H](CNC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 2282029189 PAEFMLXXDPYXHL-FPTDNZKUSA-N 481.424 2.180 30 10 JEEE C[C@H]1CN(C(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)C[C@@H](C)N(C(=O)OC(C)(C)C)C1 2282035522 WPVWKJGPAFFVOR-JKSUJKDBSA-N 462.400 2.437 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)CC(F)(F)C1 2282179476 MWHZVFKRIWWJIR-ZDUSSCGKSA-N 468.310 2.150 30 10 JEEE CC1(C)OB(c2scnc2CS(=O)(=O)NCCc2nccn2Cc2ccccc2)OC1(C)C 2282494768 CAOANUPALJHUFT-UHFFFAOYSA-N 488.444 2.349 30 10 JEEE Cc1nn(C)c(C(=O)N[C@@H](C)CC2CN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2282563666 ISKSNCKPESRFOJ-AWEZNQCLSA-N 462.400 2.403 30 10 JEEE CC1(C)OB(c2cncc(C(=O)NC[C@@]3(O)CCCN(Cc4ccccc4)C3)c2)OC1(C)C 2282700206 OZEKUPKGGUOFQX-VWLOTQADSA-N 451.376 2.138 30 10 JEEE C[C@H](CCCN(C)C(=O)OC(C)(C)C)N(C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282700685 RYVWKUQXDLJWHY-OAHLLOKOSA-N 465.404 2.222 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H]2CCN(C(=O)c3nccnc3B3OC(C)(C)C(C)(C)O3)C[C@@H]21 2283068407 LZMFBDXWSFVIAF-HOTGVXAUSA-N 458.368 2.247 30 10 JEEE COC[C@]12CCN(S(=O)(=O)c3cn(C)cn3)C[C@@H]1CN(c1ccc(C#N)c(C(F)(F)F)c1)C2 2297648975 OBHVEGKORDWHLR-OXJNMPFZSA-N 483.516 2.474 30 10 JEEE CC(C)(C)OC(=O)N1CCCO[C@@H](CN=c2cc(B3OC(C)(C)C(C)(C)O3)c(F)c[nH]2)C1 2345724089 HIZDEIFJCXSOLT-HNNXBMFYSA-N 451.348 2.380 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@@H]2[C@@H](CCN2C(=O)OC(C)(C)C)C1 2362354677 VMNJVFSRVXTZJH-JKSUJKDBSA-N 460.384 2.191 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@](Oc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C#N)(C(N)=O)C1 2364705429 ZNXGBUDIMSEUFA-HSZRJFAPSA-N 457.336 2.101 30 10 JEEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(=O)NCCc1ccccc1 1286445866 PICUZLGWUOCAFD-UHFFFAOYSA-N 472.597 2.271 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccc3)n2C[C@]2(O)CCSC2)n1 1286471072 HMRZXDMIINBFCL-HSZRJFAPSA-N 452.584 2.296 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](c2cccnc2)C(C)C)CC1 1286490713 PSKQLGCNXSFZSO-LEWJYISDSA-N 463.586 2.030 30 10 JEEE C#CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CC(=O)N1CCOCC1 1286511663 CGYDOFBXILCJHL-SFHVURJKSA-N 492.646 2.012 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@H](c2ccccc2)O[C@H](C)C1 1286780099 BMIXLWKFMBYEMC-YLJYHZDGSA-N 454.575 2.465 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1286784879 WUXIFPOTUBUGEQ-UHFFFAOYSA-N 469.615 2.259 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCS[C@H](C(C)C)C1 1286791691 ZHXKJCRJLPOJLG-MSOLQXFVSA-N 494.662 2.467 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(Cc2ccsc2)CC1 1286792360 VTAFOBZLKMUQSI-UHFFFAOYSA-N 477.594 2.415 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H]2CCS(=O)(=O)C2)C1 1286804471 NRMKIZNEKGTDPN-AEFFLSMTSA-N 462.572 2.178 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 1286818520 JVWKUHRFYJXBEJ-KRWDZBQOSA-N 491.618 2.077 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 1286820732 PZZXPHUUBGBOKA-HXUWFJFHSA-N 491.589 2.222 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(OC)cc2)nnc1N1CCc2oncc2C1 1286823640 PAUPCDGYQCHIQY-UHFFFAOYSA-N 459.528 2.017 30 10 JEEE CNC(=O)C(C)(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC(C#N)CC1 1298915591 CPFDEOJRFLSSAS-UHFFFAOYSA-N 456.547 2.483 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2ccccc2F)n1CCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1300485832 ZJHOPHSKWICBSW-IEBWSBKVSA-N 486.573 2.389 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1ccc(OCCC)nc1)[C@@H]1CCS(=O)(=O)C1 1300502409 TWFGGCFAHKTKMB-OAQYLSRUSA-N 480.594 2.123 30 10 JEEE C#CCN(c1nnc(COc2ccccc2OCC)n1C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 1300504600 OQFUYFRIWXIAOO-RBUKOAKNSA-N 474.583 2.062 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1CCC[C@@H](O)C1 1300647787 ABWZNAZPCWBNKI-UYAOXDASSA-N 459.978 2.499 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H]2CCCO[C@@H]2C(C)(C)C)CC1 1300719870 TYQZVAFSDDXHJL-FPOVZHCZSA-N 467.618 2.486 30 10 JEEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1300742772 UTJAWPRANVSRDE-IBGZPJMESA-N 465.627 2.220 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)CC1 1301087225 YAEVDQGGEUPSLU-ZWKOTPCHSA-N 498.650 2.023 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2cc(C)no2)CC1 1301151084 IOSGANPHSUWNHS-GOSISDBHSA-N 462.620 2.401 30 10 JEEE C=CCCOCCn1c(-c2cc(Br)cn2C)nnc1N1CCN(C(=O)NC)CC1 1301241833 XFLBXDQDPSRUFH-UHFFFAOYSA-N 466.384 2.100 30 10 JEEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(-c2n[nH]c(C)n2)cc1)C1CC1 1301314002 LEYKRFKQTGFYJG-CQSZACIVSA-N 456.576 2.185 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](c2cccc(Cl)c2)C1 1301477743 DQFNQISQLOQXSJ-GOSISDBHSA-N 481.944 2.459 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CC[C@](O)(c2cccc(F)c2)C1 1301577845 OPJDGNZKWVQYGY-JOCHJYFZSA-N 457.531 2.178 30 10 JEEE Cc1ccc(NC(=O)Cn2cc3c(c(C#N)c2=O)CCC3)cc1S(=O)(=O)N1CCCCC1 1307336055 GBXAXXWMTMZRAI-UHFFFAOYSA-N 454.552 2.330 30 10 JEEE CCOC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CCC2)CC1 1314018871 GQUDAOXYVMVESP-UHFFFAOYSA-N 472.571 2.063 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(OCC(F)(F)F)c1 1358872675 XJQNVHONQZVDSH-ZIAGYGMSSA-N 459.494 2.336 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cnccc1OC 1358890129 LMQPKWQQEJYZTQ-FUHWJXTLSA-N 456.547 2.496 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CNC(=O)c3cccs3)n2C[C@](C)(O)C2CC2)c1 1358903054 JWJCUDVQZBQVAX-VWLOTQADSA-N 492.605 2.487 30 10 JEEE C#CCCCCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1358913914 CFNUKFFWMJPMAA-MRXNPFEDSA-N 468.512 2.483 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCC[C@H]1OC)[C@H]1CCS(=O)(=O)C1 1358958279 KOJIZRVLJCCVPL-YSIASYRMSA-N 473.555 2.295 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1CC(=C)Br)[C@@H]1CCS(=O)(=O)C1 1358959965 TUQJUHVXIYXWJQ-OAHLLOKOSA-N 465.373 2.489 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H](C)c1nc(C)cs1)[C@@H]1CCS(=O)(=O)C1 1358967041 CARFPEBUMWKOHR-LULLPPNCSA-N 493.655 2.197 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cc(C)nc4ccccc34)n2CC(=O)N(C)C)n1 1359027521 MNUXXADGYBSSIE-UHFFFAOYSA-N 486.580 2.373 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1cccnc1)C(C)C 1359069883 AOILGWCSDFJHGH-YZUZCNPQSA-N 486.642 2.438 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1359101379 NOYYTLAOPSXWIP-DENIHFKCSA-N 474.631 2.105 30 10 JEEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(O)(Cc2ccc(F)cc2)CC1 1359142429 HSNYPUFOKIBILT-HNNXBMFYSA-N 471.986 2.354 30 10 JEEE C=CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1359205973 PZVTZXDEKRASRN-VXKWHMMOSA-N 485.677 2.383 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@]2(N(C)C)CCSC2)C1 1359326865 LNDZNCJHFLKYIV-ZVVDCOBXSA-N 451.637 2.221 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCOC3(CCC3)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1359335579 PDTFITSYLCAYNN-HDICACEKSA-N 495.646 2.409 30 10 JEEE CC(C)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1360144229 BZJRNLZIIWPVNB-FQEVSTJZSA-N 471.631 2.019 30 10 JEEE N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@H]2CCN(c3ccccc3C(F)(F)F)C2)cc1 1448017786 CGKJTURVJFZHIY-HNNXBMFYSA-N 452.458 2.250 30 10 JEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)CC(=O)NCc1ccccc1 1469192985 BPPJKNMHXFGNEU-IBGZPJMESA-N 456.568 2.059 30 10 JEEE CCn1nc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H](CC(C)C)N(C)C)c2ccccc2c1=O 1502366364 FUYSOVRGNHWBIS-OALUTQOASA-N 478.601 2.380 30 10 JEEE Cn1cc(-c2nnc(N3CCN(Cc4ccc(C#N)cc4)CC3)n2CCS(=O)(=O)C(C)(C)C)cn1 1503649626 BEJFSKMGEFVKAS-UHFFFAOYSA-N 496.641 2.086 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2C[C@H]2CN(CC(C)C)CCO2)c1 1507551215 VQJMYHWEOPPGJS-FYYLOGMGSA-N 480.613 2.195 30 10 JEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](Oc2ncccc2F)C1 1507557754 STTTUWJLVOYWFH-IRXDYDNUSA-N 464.567 2.274 30 10 JEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 1507588523 MMULNBKDWFBRLX-IAGOWNOFSA-N 491.017 2.497 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1507628139 VCMYLQVLGRWYLI-SJLPKXTDSA-N 494.017 2.177 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1c(C)nn(Cc2ccccc2)c1C 1507659937 IXWURCNAPRNANZ-FQEVSTJZSA-N 493.637 2.261 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H]2OCCC2(C)C)CC1 1507730880 XIFYDLAERBANNO-WOJBJXKFSA-N 488.633 2.157 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1507824780 JELFHOYOWLLVDX-UHFFFAOYSA-N 497.625 2.305 30 10 JEEE C=C(C)COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(N2CCNC2=O)CC1 1507838819 JBSITQCAYXGVRR-UHFFFAOYSA-N 455.519 2.440 30 10 JEEE C=C(C)COCCn1c(N2C[C@H](C)O[C@@]3(CCCOC3)C2)nnc1[C@]1(OCC)CCOC1 1507847555 IZSPIZSYVQVQMY-VJBMBRPKSA-N 450.580 2.297 30 10 JEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(N3CCOCC3)cc2)CC1 1507895644 BPPGCNJEAXAKLP-SFHVURJKSA-N 474.631 2.176 30 10 JEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1507955472 ZUDOFHDEJRXZMK-ZWKOTPCHSA-N 498.650 2.023 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc(Cc2ccncc2)n1CCN1CCCS1(=O)=O 1508003425 YPYHPUIKIMPKPL-UHFFFAOYSA-N 452.584 2.492 30 10 JEEE C=CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 1508050282 VCVHIUZZSXEGKV-UHFFFAOYSA-N 485.614 2.398 30 10 JEEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1508095667 QFAHHJFXWIGAMZ-UHFFFAOYSA-N 484.601 2.431 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1508136427 GHDXXNZZXJPJRK-WZONZLPQSA-N 476.599 2.329 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)Cc1ccccc1O 1508142732 UZOGSJHESKJEIF-UHFFFAOYSA-N 497.625 2.395 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCOC2(CCC2)C1 1508144157 RAENPGMUMWASMN-UHFFFAOYSA-N 457.556 2.089 30 10 JEEE C[C@H]1C[C@@H](C)CN(CCCn2c(COc3ccc(C#N)cc3)nnc2N2CCNC(=O)C2)C1 1512002429 DMOSFHVRJVZLJA-KDURUIRLSA-N 451.575 2.033 30 10 JEEE CCN(CC)C(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1515479397 FFWBZXKSWBEFDL-IBGZPJMESA-N 458.588 2.089 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccn2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1539627084 HWRRKNUNBJPCJQ-ZJOUEHCJSA-N 474.631 2.429 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1539688882 UFDASODYZUMBGJ-FQEVSTJZSA-N 488.658 2.320 30 10 JEEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 1540909984 UAGDNRQKTFDWNU-ROUUACIJSA-N 467.665 2.462 30 10 JEEE CCN1CCN([C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(CC)[C@H](C)C2)CC1 1547700262 HVJQNKIEENOWGN-NHCUHLMSSA-N 450.635 2.373 30 10 JEEE COCCNC(=O)[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CCN1S(=O)(=O)c1ccccc1 1548371142 YKDLVVOEIWHAOJ-FQEVSTJZSA-N 496.511 2.219 30 10 JEEE COCCNC(=O)[C@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CCN1C(=O)c1c(C)noc1C 1548372430 FAWKLMHCAITZAS-GOSISDBHSA-N 479.459 2.276 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)C[C@]2(O)CCCN(C(=O)OC(C)(C)C)C2)C1 1567387561 CPRMXEAMOCBDTK-WJONJSRFSA-N 452.552 2.014 30 10 JEEE C=C(C)[C@H](NC(=O)CNS(=O)(=O)c1ccc(CNC(C)=O)s1)c1ccc(F)c(F)c1 1567780488 HKOZEWSYKQCVGC-IBGZPJMESA-N 457.524 2.374 30 10 JEEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1587798314 GOBIYAVVNLRXNV-UNMCSNQZSA-N 467.570 2.474 30 10 JEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1CCNC(=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1588059468 ORCKIXFOEFQXIQ-IBGZPJMESA-N 492.045 2.311 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@]1(C)CN(C)C1=O 1588258894 LMSZQDWGAJFGTB-UUOWRZLLSA-N 454.575 2.291 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](c2ccccc2)N(CC)CC)CC1 1588923793 MBROOJMTJRSMTE-PKTZIBPZSA-N 491.640 2.278 30 10 JEEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1589047782 JDGZQXOOIXSYTE-WIYYLYMNSA-N 455.632 2.019 30 10 JEEE C=CC1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@H]2COCCO2)CC1 1594241618 WEOLEHXFAOQXLY-RTBURBONSA-N 463.579 2.404 30 10 JEEE C=CCCOCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](COC)O[C@H](C)C1 1594813212 QOYHDZOQZPYFND-AABGKKOBSA-N 495.621 2.419 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1595475126 AICFYPNUYIJMBQ-OYHNWAKOSA-N 458.950 2.090 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN(c2cnccn2)CC1 1595476371 KLPBPWVYEBNFRS-FQEVSTJZSA-N 476.585 2.454 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3F)n2CCS(=O)(=O)N2CCSCC2)C1 1595705769 DXLRXTFJVRUUFJ-QGZVFWFLSA-N 481.619 2.244 30 10 JEEE C[C@H]1C[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(OCC(N)=O)CC2)CCO1 1612694231 HTLXIGSNMIMCTO-PKOBYXMFSA-N 468.558 2.015 30 10 JEEE COCC1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)CCC1 1619645436 GHDNVYKBMMUCAP-KRWDZBQOSA-N 458.588 2.104 30 10 JEEE COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCCCC2)C[C@H](C)O1 1619753551 CMMOHNSFJPQBNR-SIKLNZKXSA-N 454.575 2.455 30 10 JEEE COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(Cl)cc1 1619912603 HMLRFBVVCWVTAZ-QGZVFWFLSA-N 451.980 2.443 30 10 JEEE N#C[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)CNS(=O)(=O)c2ccccc2F)CC1 1639953564 DEVXHBZRTUKUKY-SFHVURJKSA-N 450.923 2.166 30 10 JEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C(=O)OC)c2ccc(C(F)(F)F)cc2)c1 1648243122 VRHUMQQUHRIZJI-QGZVFWFLSA-N 454.426 2.261 30 10 JEEE CNS(=O)(=O)NC1CCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)CC1 1658966253 GFCNDDDHPPREMJ-UHFFFAOYSA-N 457.556 2.496 30 10 JEEE C#C[C@@H](NC(=O)Nc1cc(C(N)=O)ccc1CN1C(=O)CN(C)C1=O)c1ccc(Cl)cc1 1668025530 YRXOFYYYVQZKTL-QGZVFWFLSA-N 453.886 2.329 30 10 JEEE C=CC[C@H](Cc1ccccc1)NC(=O)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 1681825344 UFUOFYJFWUYFAA-GOSISDBHSA-N 457.552 2.317 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2CCC(=O)NC(C)(C)C)c1 1689873198 AYFSSAWJIFRCGO-LJQANCHMSA-N 452.559 2.491 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@H](C)CN2CCOCC2)CC1 1690117793 WBACRZJOTZHLHS-SFHVURJKSA-N 460.985 2.461 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2Cc2ccccc2CN2CCC[C@H]2CO)CC1 1690146366 LZYGALFKOQORQC-VWLOTQADSA-N 492.668 2.447 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1c(Cl)c(C(F)(F)F)nn1C 1690190195 NUGCMJQXPDAEKF-PIGZYNQJSA-N 493.943 2.334 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@@H](SC)C1 1690244946 AZBPFRDUGAJQQK-WTGUMLROSA-N 499.703 2.314 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(NC(=O)COC)CC1 1690252885 KBQCKENVWTYKFF-NBGIEHNGSA-N 494.596 2.441 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(OC)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1690253552 ROLWUQDLUXXVEN-CPJSRVTESA-N 498.628 2.057 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2ccccc2Cl)C1 1690287996 CMCRZEFXHZSVDL-MOPGFXCFSA-N 482.006 2.418 30 10 JEEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](NC(C)=O)C1 1690346699 ZWYQVTDFQLJINK-SJORKVTESA-N 468.986 2.444 30 10 JEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc2c(c1)OCCO2 1690508608 LWUYPIPRXWETTA-GOSISDBHSA-N 462.572 2.181 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@]2(OCC)CCOC2)n1C[C@]1(O)CCN(C)C1 1690558459 QNZMXPVQKGGYFK-LOSJGSFVSA-N 466.586 2.061 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1690665473 FODZJLONUKGAHV-OAHLLOKOSA-N 480.491 2.091 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 1690667075 PLNLOBYFEMZCQC-VQTJNVASSA-N 497.619 2.203 30 10 JEEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCN(C(=O)N(CC)CC)CC1 1690669219 YGVXYNJLGDWXBT-UHFFFAOYSA-N 464.574 2.312 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc(Cl)s1 1690714280 JAEUDVXSLGULIB-UHFFFAOYSA-N 458.009 2.466 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@H]1CCCC1(C)C 1692793325 BDXDPWPRMDHOLT-HKUYNNGSSA-N 486.646 2.308 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCCn1cccn1)[C@H]1CCS(=O)(=O)C1 1705559417 ALGBBKKVQSNZQI-NRFANRHFSA-N 495.609 2.061 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCCO[C@H]1C(C)C)[C@H]1CCS(=O)(=O)C1 1705564380 BXWXIOIKCLIJNM-WOZUAGRISA-N 464.632 2.250 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCN(CC)CCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1705566766 PZOXJJHEJNNFFO-ROUUACIJSA-N 491.580 2.073 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1CCn1cc(Cl)cn1)[C@H]1CCS(=O)(=O)C1 1705568885 WUKONLBBEBPRNZ-IBGZPJMESA-N 489.001 2.342 30 10 JEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1C[C@H]1CCSC1)[C@@H]1CCS(=O)(=O)C1 1705569226 DZUXXDHIVJIFFS-WOJBJXKFSA-N 474.652 2.452 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2C[C@H](C)N2CCOCC2)CC1 1705637141 KZDWOQQKHQGERY-NRFANRHFSA-N 482.629 2.218 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2cccnc2OCCCC)CC1 1705647201 CGQZFEWLRPFCQK-UHFFFAOYSA-N 474.569 2.323 30 10 JEEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1705667912 YWCVMUMBZQPFRI-PCCBWWKXSA-N 474.675 2.123 30 10 JEEE C=C(Br)Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1705691785 OUTWDJLEOSWTKF-RDTXWAMCSA-N 464.412 2.205 30 10 JEEE C=C(C)COCCn1c(CC(C)(C)C)nnc1N1CCN(c2ncnc3c2cnn3C)CC1 1705737628 WNNXZYVUZWWJSM-UHFFFAOYSA-N 453.595 2.463 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCC2CC(OCC)C2)CC1 1705782442 XBVNJLWNSIGOSD-MHJFOBGBSA-N 467.636 2.219 30 10 JEEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2c(F)cccc2F)CC1 1705799828 HPZUSYDWBFSSQA-MRXNPFEDSA-N 496.584 2.485 30 10 JEEE C=CCn1c(Cc2ccc(F)cc2)nnc1N1C[C@@H]2[C@@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1705891216 JMQPQBPPIXUNRU-QYZOEREBSA-N 491.589 2.321 30 10 JEEE C[C@H]1COCCN1CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)[C@@H](C)CC#N 1708260577 CGMWACWKZNVRFJ-IRXDYDNUSA-N 459.982 2.321 30 10 JEEE CCO[C@]1(c2nnc(N(C)Cc3cccc(C#N)c3)n2C[C@@H]2CCCS(=O)(=O)C2)CCOC1 1710427023 ICUOWWMNJGHXRK-NZQKXSOJSA-N 473.599 2.263 30 10 JEEE COCCN1C[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@](C)(OC)C2)CC1=O 1712468531 FKZYEQMJUHMEOI-NTKDMRAZSA-N 452.559 2.317 30 10 JEEE CS(=O)(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)c2cccs2)C1 1712688679 AIHLPWUCWOPCSX-SFHVURJKSA-N 484.607 2.322 30 10 JEEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1722329685 KCFFUJXDRXQSPR-UHFFFAOYSA-N 461.570 2.300 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1CC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1722360867 WTEJBNBAFNXMCU-LJQANCHMSA-N 474.583 2.016 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC(C)(C)N1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1722361668 OEFDWDROCSEMBM-RBUKOAKNSA-N 458.632 2.410 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Br)n1CCc1cn[nH]c1)[C@@H]1CCS(=O)(=O)C1 1722364072 WWWSXNSANKXDCI-MRXNPFEDSA-N 489.399 2.300 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ccc(OC)nc1 1722405395 BXHTZRKXYXPKQG-UHFFFAOYSA-N 454.556 2.107 30 10 JEEE C#CCN1CCN(c2nnc(-c3sc(-c4ccccc4)nc3C)n2CCS(=O)(=O)N(C)C)CC1 1722432858 HJDKWSQLENXHQM-UHFFFAOYSA-N 499.666 2.024 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCC(=O)N[C@@H](C)CC)CC1 1722435205 DRERAXYZOJSWPK-SFHVURJKSA-N 454.575 2.022 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC2(OC)CCCC2)CC1 1722443267 FXYTZROZIVNCRG-RUZDIDTESA-N 473.618 2.244 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2Cc2c(F)cccc2SC)CC1 1722449509 KUDLXDIOWPMHEV-UHFFFAOYSA-N 484.601 2.276 30 10 JEEE C#CCSCCn1c(N2CCN(CC(=O)NCC)CC2)nnc1C1(c2ccccc2)CCC1 1722464835 SVJLNHOCTSQGQR-UHFFFAOYSA-N 466.655 2.373 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCCN1CCCO 1722513004 OWYFKTKUQJFONA-LJQANCHMSA-N 465.602 2.441 30 10 JEEE C=C(Cl)Cn1c(N2CCN([C@H](C)C(=O)NC3CCCC3)CC2)nnc1[C@]1(OCC)CCOC1 1722558529 QETJECDGAYVQQS-JPYJTQIMSA-N 481.041 2.252 30 10 JEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1c(C)noc1C 1722603095 GEDQCLJDQCSEIV-SFHVURJKSA-N 452.581 2.209 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)[C@H](C)CS(C)(=O)=O 1722694375 UGEIITMCXIGTJD-HUUCEWRRSA-N 465.645 2.303 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC(C)(C)O)C1 1722719052 QBJHECJWZKOCJU-IAGOWNOFSA-N 451.568 2.139 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CC[C@]2(C)[C@@H](C1)C2(Cl)Cl 1722728501 WBZSYWKINCSOOM-RHSMWYFYSA-N 457.387 2.356 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC2(CC1)COC(=O)N2 1722730410 QRZBJMFURQWJAM-UHFFFAOYSA-N 489.598 2.154 30 10 JEEE C=CCSCCn1c(Cc2ccncc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1722742491 VSFLCLGVFUWJJM-UHFFFAOYSA-N 450.634 2.043 30 10 JEEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2CN(C(=O)OC(C)(C)C)C2)CCO1 1730607383 AVLFCJAGDKPHKT-NRFANRHFSA-N 498.584 2.447 30 10 JEEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1740577712 NBYTXBSONAMAQI-SFHVURJKSA-N 489.609 2.450 30 10 JEEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@H]1CCCCS1(=O)=O 1740607331 MTNBTCGLYHHNGU-QGZVFWFLSA-N 468.583 2.273 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1Cc1ccc(F)cn1)[C@@H]1CCS(=O)(=O)C1 1740620141 OCYCSBANCNIFFL-LJQANCHMSA-N 455.515 2.163 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1csc([C@H](C)OC)n1)[C@H]1CCS(=O)(=O)C1 1740623306 REFPBCBGGTUPJJ-WMZOPIPTSA-N 486.623 2.487 30 10 JEEE C#CCN(CC)c1nnc(-c2ccc3c(c2)OCO3)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1740666710 ZYJNRMFVMQZEFS-LJQANCHMSA-N 452.559 2.076 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCc2csc(CC)n2)CC1 1740703535 WEZOYBNTIYZYDF-XMMPIXPASA-N 486.642 2.158 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2Cc2ccc(OCCO)c(OC)c2)CC1 1740705628 JUHLCYHFLHYYJL-UHFFFAOYSA-N 481.597 2.330 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CSc3ccccc3OC)n2Cc2nncn2CC)CC1 1740707524 FZFJFVINFAYFCV-UHFFFAOYSA-N 494.625 2.205 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@](C)(OC)CC1 1740987392 FYRNSBFIYJYTSK-QFIPXVFZSA-N 496.655 2.345 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCC(C(=O)N2CCCC2)CC1 1740988605 KAYWEGQHNQUNLY-UHFFFAOYSA-N 457.600 2.385 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CC[C@@](O)(c2ccccc2F)C1 1740989723 VZTVSGNXKYBMFV-QFIPXVFZSA-N 457.531 2.178 30 10 JEEE C=CCSCCn1c(C2CCCC2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1741001037 JLIISTPYYHBNIH-IBGZPJMESA-N 469.677 2.486 30 10 JEEE CC(=O)N(C)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCN2CCCO)CC1 1741012012 BUPLUGOMLPDOMP-QHCPKHFHSA-N 495.628 2.023 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(C)(C)N1CCOCC1 1741124452 FARJDMYBLBBOQQ-KRWDZBQOSA-N 460.604 2.055 30 10 JEEE CC[C@H](C)[C@](C)(O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1743495005 DFDGSNIMCPFLOO-TVVUZDRGSA-N 469.565 2.364 30 10 JEEE CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C2CCOCC2)C1 1745894018 FJHKCFVFBRBQLQ-HXUWFJFHSA-N 452.559 2.460 30 10 JEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(OC)nc1OC 1748789080 IALFFUQXMOJRNL-QGZVFWFLSA-N 472.546 2.116 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CC[S@@](=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1748808474 CRSDNDALYGOOQY-FZEVHQGJSA-N 478.640 2.128 30 10 JEEE C#CCN(c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@](C)(O)C(C)C)[C@H]1CCS(=O)(=O)C1 1748808744 MQCFLAHMXDCHSC-YADARESESA-N 482.610 2.369 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1CC(F)(F)CO1)[C@H]1CCS(=O)(=O)C1 1748808903 IMOKVBJXVKXFIV-IRXDYDNUSA-N 496.536 2.013 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nc2cc(Cl)ccc2s1 1748929516 LJLJIZISRHVOPF-INIZCTEOSA-N 495.030 2.382 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1noc(CC)n1 1748944686 BMVJPGAJKMMCIO-KRWDZBQOSA-N 472.546 2.147 30 10 JEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(C)(C)NC(=O)OC(C)(C)C)CC1 1749286330 IBBREWOSRDXMSL-OAHLLOKOSA-N 456.613 2.348 30 10 JEEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1749408796 MGRZSEVROUHBDQ-UHFFFAOYSA-N 464.567 2.033 30 10 JEEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC(CC(=O)N2CCN(CC)CC2)CC1 1749752278 OFEOUYLUIBDHLR-UHFFFAOYSA-N 486.690 2.368 30 10 JEEE Cc1cc(C)n(Cc2nnc(N(C)C[C@H](C)C#N)n2Cc2ccccc2S(=O)(=O)N(C)C)n1 1751837718 DDKWLYRPASRAQD-MRXNPFEDSA-N 470.603 2.034 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CCNC(=O)OC(C)(C)C)c1 1760126398 XKYXXFCFOWKARW-UHFFFAOYSA-N 478.557 2.260 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccc(C(C)(C)O)cc2)CC1 1760265740 IDAPNNGPHVHIMJ-MHZLTWQESA-N 495.624 2.172 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H](OC)C2CC2)CC1 1760266621 GLUNJKGHIOBQKP-FQEVSTJZSA-N 452.515 2.244 30 10 JEEE C=C(Cl)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](COC)C1 1760374113 IMULRKRIRBIJQI-JKSUJKDBSA-N 457.959 2.191 30 10 JEEE C=C(Cl)Cn1c(N2C[C@H](C)[C@@H](N3CCCN(C(C)=O)CC3)C2)nnc1[C@@]1(OCC)CCOC1 1760386612 DAFJARCKNNHYSB-KPDCDPCYSA-N 481.041 2.062 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ncc(CC)s2)CC1 1760389355 JGKWZKVBAYOQSQ-KRWDZBQOSA-N 466.633 2.029 30 10 JEEE C=CCCOCCn1c(C(C)C)nnc1N1C[C@@H]2[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1760445603 PWZLSKBLJRAPBS-FGTMMUONSA-N 483.635 2.121 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H](NC(=O)CC)C1 1760515893 HPWIDXFTSIIIGQ-IAGOWNOFSA-N 458.538 2.354 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CCC(N(C)C(C)=O)CC1 1760519128 SFEHKGRMFHFQFU-UHFFFAOYSA-N 475.391 2.457 30 10 JEEE C=CCOc1ccccc1Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)COC)CC1 1760533520 HWSXAWUTIXWTHK-UHFFFAOYSA-N 479.585 2.048 30 10 JEEE C=CCSCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1760569725 YPFOMOMDCBWDKZ-UHFFFAOYSA-N 465.645 2.475 30 10 JEEE CC(=O)Nc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@](C)(C#N)C2)cc1 1760626591 HBJTUACTGFUEBK-QVKFZJNVSA-N 459.576 2.025 30 10 JEEE Cc1cnn(C[C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCC(=O)NC(C)C)CCO2)c1 1762186090 BLFDIMWFIHQYBY-OAQYLSRUSA-N 462.558 2.142 30 10 JEEE CN(c1ccc(NS(=O)(=O)c2ccc3nc(O)oc3c2)cn1)S(=O)(=O)c1ccccc1C#N 1858270979 QKAMEONMTCDHOP-UHFFFAOYSA-N 485.503 2.426 30 10 JEEE CN(c1ccc(NS(=O)(=O)c2ccccc2C#N)cn1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 1858271932 JGIQIHDLQBODSG-UHFFFAOYSA-N 473.492 2.487 30 10 JEEE N#Cc1ccccc1S(=O)(=O)Nc1ccc(NC(=O)C2CCN(C(=O)C(F)(F)F)CC2)cn1 1858284614 XQXBSYLVWQRMDA-UHFFFAOYSA-N 481.456 2.493 30 10 JEEE N#Cc1ccccc1S(=O)(=O)Nc1ccc(NC(=O)[C@H]2CCCN2C(=O)C(F)(F)F)nc1 1858293231 QDPHTCZSMPHQKR-CQSZACIVSA-N 467.429 2.246 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@@H]2c2ccc3c(c2)OCCO3)cc1OC 1862574179 MYDAMLLRHNZAGZ-JOCHJYFZSA-N 482.489 2.189 30 10 JEEE NS(=O)(=O)c1ccc(CN2C(=O)C(O)=C(C(=O)c3cccc(O)c3)[C@@H]2c2ccc(O)c(O)c2)cc1 1862591496 HWUFEKJDGYZUJF-NRFANRHFSA-N 496.497 2.229 30 10 JEEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCNC(C)=O)[C@H]2c2ccc3c(c2)OCCO3)c1 1862704718 HOPNOGGQNWEECO-NRFANRHFSA-N 452.463 2.181 30 10 JEEE CC[C@@H](NC(=O)CCS(=O)(=O)c1ccc(OC)c(OC)c1)C(=O)Nc1ccccc1C#N 1866803257 OJJZRJPZJNYBEY-QGZVFWFLSA-N 459.524 2.273 30 10 JEEE COc1cc(OC)cc(-n2nnc(C#N)c2NC(=O)[C@@H](C(C)C)N2C(=O)c3ccccc3C2=O)c1 1870143632 UIVHVKUXZYFMTL-HXUWFJFHSA-N 474.477 2.415 30 10 JEEE C=CCn1cc(OCC(=O)Nc2nc(C)c(C(C)=O)s2)c(=O)cc1CN1CCC(CO)CC1 1870585365 UTWLBFUGWDWHAX-UHFFFAOYSA-N 474.583 2.224 30 10 JEEE Cc1cc(N2CCN(C(=O)[C@H]3SCC(=O)N(C(C)C)[C@@H]3c3ccc(C#N)cc3)CC2)ncn1 1889547119 UJPVCCSEUZIFFH-PKTZIBPZSA-N 464.595 2.399 30 10 JEEE Cc1nc(I)c(I)n1C[C@](N)(C#N)C1CCOCC1 2143001546 PFABVKBIQMCAPW-GFCCVEGCSA-N 486.095 2.048 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NCC1CN(C(=O)OCc2ccccc2)C1 2247929326 LTRRJTONYSXPJP-UHFFFAOYSA-N 453.348 2.323 30 10 JEEE Cc1c(C(=O)N[C@H]2CC[C@H]2NC(=O)OCc2ccccc2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2255528782 FBCXKQZLKDZMOP-ZWKOTPCHSA-N 468.363 2.215 30 10 JEEE Cc1cc(S(=O)(=O)N[C@H](C)CNC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2255747399 KBTLIJJFPCKGLP-OAHLLOKOSA-N 454.398 2.486 30 10 JEEE C=C(CS(=O)(=O)N1C[C@H]2CC[C@H]1[C@@H](NC(=O)C(F)(F)F)C2)B1OC(C)(C)C(C)(C)O1 2255793975 FVXPMBMGRGTYMR-IHRRRGAJSA-N 452.304 2.035 30 10 JEEE Cc1cc(CN(C)C(=O)[C@H](O)CNC(=O)OC(C)(C)C)sc1B1OC(C)(C)C(C)(C)O1 2256615258 SWLIRQPPGIYKLN-OAHLLOKOSA-N 454.398 2.200 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C=CC[C@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2256627670 XBYWFQGTNQKWKV-QWHCGFSZSA-N 450.370 2.057 30 10 JEEE CC(C)(C)OC(=O)NC1(C2(C(=O)N=c3nc(B4OC(C)(C)C(C)(C)O4)[nH]s3)CC2)CC1 2256668569 BZRHXACEJMPVJH-UHFFFAOYSA-N 450.370 2.035 30 10 JEEE Cc1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H](O)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2267145617 FVCZNFNLWPUBBH-OAHLLOKOSA-N 466.409 2.410 30 10 JEEE Cc1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2CO)sc1B1OC(C)(C)C(C)(C)O1 2267231350 AZJLKRXZGKJRAE-OAHLLOKOSA-N 466.409 2.410 30 10 JEEE COC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)o1 2267288853 HTPFSLURAITESK-HNNXBMFYSA-N 450.341 2.287 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CC[C@H]1NS(=O)(=O)c1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2267469176 RHHIWOBDPGKRDJ-JKSUJKDBSA-N 470.372 2.459 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1S(=O)(=O)NCCCONC(=O)OC(C)(C)C 2267703603 YIIMWLKZOHZULG-UHFFFAOYSA-N 470.397 2.419 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1CN2S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2267715471 XWNDSPYYQQOFSL-IRXDYDNUSA-N 464.393 2.368 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CCO1 2267718738 XEQRHISHVQYLJD-MRXNPFEDSA-N 468.381 2.205 30 10 JEEE CN1CCN(C(=O)OC(C)(C)C)[C@@H](COc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2269064187 UXNMFNVASFSNJG-MRXNPFEDSA-N 451.348 2.450 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)c(F)c2)C1 2281757014 BVAQPPQAGNQWHM-MAUKXSAKSA-N 464.343 2.083 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1COC[C@H]1NC(=O)c1cccc(F)c1B1OC(C)(C)C(C)(C)O1 2281783544 MASWQVGVTRKESG-RHSMWYFYSA-N 464.343 2.394 30 10 JEEE COC1(CNC(=O)c2cccc(F)c2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2281788581 CPCOVEAGRQTONY-UHFFFAOYSA-N 464.343 2.491 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](CO)[C@H](NC(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)CC1 2281823156 NXLZYMYABCREPL-DOTOQJQBSA-N 464.368 2.317 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H]3CC[C@H](C2)N3C(=O)OC(C)(C)C)n1 2281996463 OVGXHEVFNHMCLU-IYBDPMFKSA-N 460.384 2.426 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CCOC[C@@H]2NC(=O)OCc2ccccc2)n1 2282005608 QJCOUUGFBITQDI-PMACEKPBSA-N 498.389 2.016 30 10 JEEE C[C@@H]1CCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)[C@@H](CNC(=O)OC(C)(C)C)C1 2282043260 MLUVBLUSNVHIQL-HZPDHXFCSA-N 462.400 2.485 30 10 JEEE CCn1cc(C(=O)N2C[C@@H]3CN(Cc4ccccc4)C[C@H]3C2)nc1B1OC(C)(C)C(C)(C)O1 2282051591 UYGOSOMLEYBFPY-PMACEKPBSA-N 450.392 2.406 30 10 JEEE Cn1cc(C(=O)NC[C@@H]2CC3(CC3)CN2C(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2282549938 RVAJMVSMABGDGC-HNNXBMFYSA-N 460.384 2.239 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1[C@@H]2C[C@@H]2CN1C(=O)OC(C)(C)C 2282600138 VTSGKMCIBDVDLP-BZUAXINKSA-N 460.384 2.013 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@](O)(CNC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2Cl)C1 2282607149 INKNWDVYOOBUBS-QFIPXVFZSA-N 481.786 2.136 30 10 JEEE CN(C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2282629720 ZHIFLDDVUMWCRM-INIZCTEOSA-N 462.400 2.438 30 10 JEEE Cc1cccc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2O)c1B1OC(C)(C)C(C)(C)O1 2282689295 GSUJACVVLKSIML-ZWKOTPCHSA-N 460.380 2.394 30 10 JEEE C[C@H]1C[C@H](NC(=O)C(F)(F)F)CCN1S(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2282854097 NHSMZSBCYQQXCK-DZGCQCFKSA-N 476.326 2.206 30 10 JEEE COC(=O)[C@@H](CC(=O)NCc1ccccc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2283937267 UGBVDMHXOCGILY-QGZVFWFLSA-N 462.352 2.058 30 10 JEEE C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2cccc(B3OC(C)(C)C(C)(C)O3)c2C1 2283971678 KAWMKTPEGWFIJO-DNVCBOLYSA-N 460.380 2.145 30 10 JEEE CC(C)(C)OC(=O)NCCCC[C@@H](NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)o1)C(=O)O 2289801634 FFAHYYBXPYXEJM-CQSZACIVSA-N 466.340 2.457 30 10 JEEE CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[C@](C)(B2OC(C)(C)C(C)(C)O2)C1)C1CS(=O)(=O)C1 2342473919 UIJWNYHRKNBFET-BTYIYWSLSA-N 472.413 2.009 30 10 JEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccco2)CC1 108405659 JGSKGMQVWJOULY-OAQYLSRUSA-N 492.557 2.025 30 10 JEEE O=C(/C=C\c1ccco1)C1=C(O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccc([N+](=O)[O-])cc1 111831426 VIWHMVQBUHFBFY-NJRZHNRPSA-N 453.451 2.498 30 10 JEEE C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H]1CNc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 204869686 ZHISWDNVLYYXGY-AEFFLSMTSA-N 489.426 2.482 30 10 JEEE C=CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCN([C@H](C)c3ccccc3)CC2)cc1 803380546 ABJCRTADFGUPOH-LJQANCHMSA-N 471.579 2.213 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)NCC2(C(=O)OC(C)(C)C)CCOCC2)ccc1F 1277103046 CACQUYMBRJFSTI-UHFFFAOYSA-N 456.536 2.158 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC1([S@@](C)=O)CC1 1286288584 HZDIPVQCLMJSHC-HEJPQYQCSA-N 452.584 2.434 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNc1ncc(Cl)cc1Cl 1286295627 JTFZXFRNIJHTOY-STQMWFEESA-N 457.387 2.452 30 10 JEEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1Cc1cn(C2COC2)nn1 1286301718 OOIXHXUKRMFTBC-AWEZNQCLSA-N 472.347 2.289 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2C[C@H]2CCCN2c2cnn(C)c2)c1 1286312715 YVHQAJOQZTWWNU-OAQYLSRUSA-N 476.585 2.273 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC(=O)NC(C)(C)C 1286457653 BJIDRMJZYSWWKF-GOSISDBHSA-N 475.590 2.264 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(C(F)(F)F)cc1 1286457723 ULVRCHRIIBMTGX-CQSZACIVSA-N 459.494 2.041 30 10 JEEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1Cc1cccc2c1OCCCO2 1286469600 WCQVZYUBNSCYJG-UHFFFAOYSA-N 450.543 2.435 30 10 JEEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1286633955 NVHARDSNLLZIPJ-ROUUACIJSA-N 452.987 2.483 30 10 JEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1286711615 NMDWKIDUKWXTLI-SFHVURJKSA-N 490.586 2.008 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1CCS(=O)(=O)CC1 1286745048 AOIDLMHUFLPPFS-HXUWFJFHSA-N 478.640 2.198 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1286783066 FMCFNGSTOFUSFB-SFHVURJKSA-N 461.570 2.489 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1286791798 DBNLEIBIFWUYAP-LJQANCHMSA-N 466.586 2.268 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1286792348 VHLKBWUMDWMZAV-UHFFFAOYSA-N 468.602 2.416 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N(C)C[C@@H]1CCOC1 1286815175 NUMJBZZYFCZPSR-ZDUSSCGKSA-N 458.382 2.109 30 10 JEEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCOc1ncccc1Cl 1293113353 FVDKFELCPFERPM-OAHLLOKOSA-N 453.938 2.345 30 10 JEEE CNc1cc(N2CCC[C@H]2Cn2c(C(=O)NC(C)C)nnc2N(C)Cc2ccc(C#N)cc2)ncn1 1299290280 IBAHJMAPXSWOMO-FQEVSTJZSA-N 488.600 2.425 30 10 JEEE CO[C@@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1299551344 BMUNEHFDZPGAFY-HBMCJLEFSA-N 479.629 2.478 30 10 JEEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCN1CCSCC1 1300456176 WVIOFDYUTZMZFA-UHFFFAOYSA-N 451.600 2.183 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1Cc1nncn1CC 1300574827 LWEGWSNOUVMNPI-UHFFFAOYSA-N 469.553 2.359 30 10 JEEE C=CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1301208709 AZLRRQCVGROYDG-UHFFFAOYSA-N 464.578 2.471 30 10 JEEE C=CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1301435544 BLYRMOPFRLSLJU-GOSISDBHSA-N 483.541 2.363 30 10 JEEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)c1cnc(C)c(C(=O)OC)c1 1309855056 TYNBCFGIHGHHMD-UHFFFAOYSA-N 451.545 2.200 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(CN2CCCC2=O)n1C[C@@]1(O)CCC[C@@H]1C 1316089091 AJYJDUWMJKEODB-DFBJGRDBSA-N 466.586 2.476 30 10 JEEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1358930605 YPOKVGDVDJKELX-YESZJQIVSA-N 461.519 2.114 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1ccc(N(C)C)cc1C)[C@H]1CCS(=O)(=O)C1 1358962809 XPMKHEVGUVABRN-IRLDBZIGSA-N 471.627 2.222 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CCc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1358964996 LRWFSNSNAUGYLW-NRFANRHFSA-N 465.579 2.142 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@H]1CC(=O)N(CCOC)C1 1358986616 BDARZYNROBOOAD-FQEVSTJZSA-N 471.565 2.293 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H](C)COC)CC1 1359040348 QLNQPVNYJOJPET-KRWDZBQOSA-N 487.004 2.110 30 10 JEEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)Cc1cc(C)on1 1359050746 BHQXBXKTCHKSCU-UHFFFAOYSA-N 474.612 2.495 30 10 JEEE C=C(Br)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCO[C@H](CNC(C)=O)C1 1359084195 AAXPCWKENGESJH-CRAIPNDOSA-N 478.347 2.041 30 10 JEEE C=C(C)Cn1c(-c2cccc(C)n2)nnc1N1C[C@@H]2[C@@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1359120521 FIADFOLQWWWXJX-NEWSRXKRSA-N 488.614 2.351 30 10 JEEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(c2cnn(C)c2)CC1 1359122328 MMWHFFVAZHLQFY-IBGZPJMESA-N 472.594 2.223 30 10 JEEE C=C(C)COCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCN(S(C)(=O)=O)CC1 1359127071 HLLHEYJIUZYWHL-UHFFFAOYSA-N 470.599 2.476 30 10 JEEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1359183817 VHHLKVIMAAVUTN-IPMKNSEASA-N 468.668 2.038 30 10 JEEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(OC(C)C)CC1 1359203373 NXGSKDGNVFBRBZ-LJQANCHMSA-N 455.625 2.361 30 10 JEEE C=CCCOCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1359222707 PWJJDNGMHIAVJJ-AWEZNQCLSA-N 487.424 2.099 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 1359291258 JQWZUZFRPNGDCL-QGZVFWFLSA-N 480.491 2.315 30 10 JEEE C=CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2CCOC[C@H]2C1 1359343550 VPKWGJHYSIKUOQ-MOPGFXCFSA-N 494.662 2.027 30 10 JEEE C=CCC1(O)CCN(C(=O)CN2C(=O)N[C@@](C)(c3ccc(Br)cc3)C2=O)CC1 1471935961 OHGYLYYWKQVSFE-IBGZPJMESA-N 450.333 2.146 30 10 JEEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(CC(C)(C)C)n1CC(C)(C)N1CCOCC1 1494135584 FNCNXMUYPOUJTB-LJQANCHMSA-N 481.649 2.354 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](OC)c1ccc(Cl)cc1 1507690686 VEARRZBNVZXUOX-MOPGFXCFSA-N 482.006 2.112 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCN1CCOCC1 1507814694 DIPPAAZTDSYJAA-UHFFFAOYSA-N 451.575 2.317 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 1508139774 JJRIIQROZFBHIY-HSZRJFAPSA-N 496.637 2.105 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCCC2 1508140136 GLXKHOHLYKDIHG-FGTMMUONSA-N 465.620 2.004 30 10 JEEE CC(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](N2CCOCC2)C(F)(F)F)CC1 1508218778 DBYCYAVWEVYUEL-FQEVSTJZSA-N 491.518 2.138 30 10 JEEE CC(C)(CN1CCCC1)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1508719958 CUALCRRWCUSHJW-NRFANRHFSA-N 486.642 2.474 30 10 JEEE C[C@H](N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(C(N)=O)CCOCC2)CC1)C(F)(F)F 1510141725 HIPAHNGWRVLFOE-INIZCTEOSA-N 491.518 2.172 30 10 JEEE C[C@@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H](c1ccco1)N(C)C 1512389685 GECCJOVIBSIDFT-YLJYHZDGSA-N 463.542 2.292 30 10 JEEE CCOC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)N2CCOCC2)C1 1516056002 AOZALAWOAPVVJI-GHTZIAJQSA-N 467.574 2.252 30 10 JEEE N#Cc1ccc(N2C[C@@H](C(=O)N[C@H]3CCCN(Cc4ccccn4)C3=O)CC2=O)cc1Cl 1526849980 BDVXFJNAEHEKQG-JXFKEZNVSA-N 451.914 2.267 30 10 JEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](OCc2ccccc2)C1 1539071883 GPKYLOYBWRBQCA-FCHUYYIVSA-N 487.626 2.210 30 10 JEEE C#CCCCn1c(-c2ccccc2Br)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1539109181 KFNHQQZBCAFFQS-UHFFFAOYSA-N 499.413 2.392 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(N2CCCC2)CCOCC1 1539304869 IJLFKNRQAFPADS-UHFFFAOYSA-N 495.649 2.457 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccnc1OCCCC 1539324388 TVUMTNSYTSRGQO-FQEVSTJZSA-N 455.584 2.265 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)c1ccc2c(c1)OCCO2 1539416496 OQOFIUHPVJDSBC-SFHVURJKSA-N 488.610 2.015 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2CCn2cc([C@@H]3CCOC3)cn2)CC1 1539468291 CNQMUGJFXKTNHY-AZUAARDMSA-N 453.591 2.158 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CC(C)(C)N2CCC[C@H](C)C2)CC1 1539477492 ONZBRZQBCQDOAA-IBGZPJMESA-N 466.634 2.155 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCOC[C@@H]2C)CC1 1539489764 XDGSZTDDORPCCE-UGKGYDQZSA-N 476.581 2.367 30 10 JEEE C=C(C)COCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1539722477 NXYQBTCMPCSMBT-MJGOQNOKSA-N 472.977 2.169 30 10 JEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(N3CCSCC3)CCCC2)CC1 1539828089 DWOITNCHBFILGS-GOSISDBHSA-N 468.693 2.406 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1C[C@@H](C)C[C@@H](C)C1)C1CC1 1540109849 VPUOWTOHXOCWFQ-ZVDOUQERSA-N 480.679 2.134 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc3cccnc23)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1540899898 DLWMYEVNTQQMFD-GOSISDBHSA-N 489.623 2.108 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCc2c(ccnc2O)C1 1540903990 JJGQNEBNCXBYDR-UHFFFAOYSA-N 457.531 2.272 30 10 JEEE CC(C)C(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1541269633 AZONEGUJXXLXEF-IBGZPJMESA-N 484.626 2.383 30 10 JEEE C#CC[C@]1(C(=O)NCC[C@](O)(c2nccn2C)C(F)(F)F)CCCN1C(=O)OC(C)(C)C 1545043012 MIUUJBDFIPOXPI-UXHICEINSA-N 458.481 2.469 30 10 JEEE COCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCCN(C(=O)C(C)C)CC1 1555420709 FXJGXVCQXQHKEU-DEOSSOPVSA-N 454.575 2.299 30 10 JEEE COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)N1CCc2ccccc2C1 1555554983 FRNXAACJMIQAMZ-HXUWFJFHSA-N 465.602 2.327 30 10 JEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(c2ccncc2)C[C@@H]1C 1558422954 HYJLDPCJQQVMJW-PXNSSMCTSA-N 455.584 2.416 30 10 JEEE C[C@@H]1C[C@@H]2[C@@H]([C@H](O)C[C@]3(C)[C@@H]2CC[C@@]3(O)C(=O)COC(=O)CCC(=O)O)[C@]2(C)C=CC(=O)C=C12 1565504196 IMBXEJJVJRTNOW-CMUPWYAJSA-N 474.550 2.219 30 10 JEEE C[C@@H]1C[C@H]2[C@@H]3CC[C@@](O)(C(=O)COC(=O)CCC(=O)O)[C@]3(C)C[C@@H](O)[C@H]2[C@]2(C)C=CC(=O)C=C12 1565504198 IMBXEJJVJRTNOW-XJUZDFDFSA-N 474.550 2.219 30 10 JEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC(C(=O)Nc2cccc(F)c2)CC1 1584279976 FHIAQSLJCFSCNU-HNNXBMFYSA-N 458.515 2.241 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1CCC[C@@H]1NC(=O)NC1=O 1587585594 CEXWZAUZZXFYPF-QWRGUYRKSA-N 451.350 2.215 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CC1(COC)CCC1)[C@@H]1CCS(=O)(=O)C1 1588069282 KXWILBIJRSKUGH-LJQANCHMSA-N 476.574 2.440 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCN1CCC(C)CC1 1588194107 OYHNRHHGBLZQML-UHFFFAOYSA-N 482.654 2.390 30 10 JEEE C#CCN(CCOC)c1nnc(Cc2cccnc2)n1CC1(N2CCOCC2)CCCCC1 1588660567 XKHRIYNXPZBJOS-UHFFFAOYSA-N 452.603 2.385 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2cccn(CC)c2=O)CC1 1588908046 KGFCCPVYSPAPTG-UHFFFAOYSA-N 479.972 2.189 30 10 JEEE C=CCC(C)(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1594455567 RWYHPGMACQYSOH-DLBZAZTESA-N 470.549 2.307 30 10 JEEE C=CCNC(=O)Cn1c(N(C)Cc2cc(F)c(F)c(F)c2)nnc1[C@@]1(OCC)CCOC1 1595593363 BQIMVSTXPVEZAD-OAQYLSRUSA-N 453.465 2.286 30 10 JEEE C=CCNC(=O)Cn1c(N2CC[C@@H](Cc3cnn(C)c3)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1595602820 RTWCSCODWCFYCC-YSIASYRMSA-N 498.632 2.154 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2c(F)cc(F)c(F)c2F)C1 1595673819 JXXYZKVEHMEIMP-VXGBXAGGSA-N 477.484 2.274 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(C)Cc3ccccc3C2)C1 1595674452 PUORCXGUOXNZMA-FXAWDEMLSA-N 459.616 2.475 30 10 JEEE C=CCOC(=O)Nc1nc2c(s1)C[C@@H]1[C@](C)(CO)[C@H](O)CC[C@@]1(C)[C@H]2CC(=O)NCCN(C)C 1616130964 RSASEUMXQROOAO-ZTZISTBDSA-N 494.658 2.361 30 10 JEEE CS(=O)(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2cccs2)CC1 1620170477 CPOIIKLJFRNBCX-UHFFFAOYSA-N 472.596 2.115 30 10 JEEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccc(N(CC)c3ccccc3)cc2)CC1 1679325751 IIGRIXFVVAEAQN-UHFFFAOYSA-N 455.584 2.139 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1Cc1cccn(CC)c1=O 1690095164 GXTBQIUAJRQABP-UHFFFAOYSA-N 459.348 2.352 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2CCN2CCC[C@@H]2C)CC1 1690148412 FYRUDQFADCOGCJ-IBGZPJMESA-N 452.578 2.458 30 10 JEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCCN(C(=O)Cc2cccc(F)c2)CC1 1690153784 AIUOHXKQSDYZIF-UHFFFAOYSA-N 486.617 2.203 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC)c(Cl)c1 1690206748 YVCZZAJGWADULD-DENIHFKCSA-N 494.017 2.313 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H]1CCN(Cc2ccccc2)C1 1690288351 STNMJPUJYLPOLC-FGZHOGPDSA-N 488.658 2.145 30 10 JEEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1690526828 DYAMFCRDTKTGRQ-SJORKVTESA-N 453.609 2.450 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[C@@H](CN2CCOCC2)C1 1690660861 PSCKJZQJDWSLPX-MOPGFXCFSA-N 472.565 2.018 30 10 JEEE C=CCOc1ccccc1Cn1c(-c2noc3c2COCC3)nnc1N(C)CCS(C)(=O)=O 1690682283 KFCALZXZKUTUQK-UHFFFAOYSA-N 473.555 2.100 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCC(C)(C)C)C1 1690700441 SGORCNDPZWYNOQ-QZTJIDSGSA-N 455.625 2.219 30 10 JEEE C=CCSCCn1c(N2CCN(c3ncc(F)cn3)CC2)nnc1[C@]1(OCC)CCOC1 1690752922 VDIGXARCSAFADZ-NRFANRHFSA-N 463.583 2.105 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CN(CC(C)C)CCO1 1705481947 PHSWBYNWZXQJMA-AZUAARDMSA-N 459.616 2.163 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1csc(CC)n1)[C@H]1CCS(=O)(=O)C1 1705567145 VAQOWALSOZRXEW-KRWDZBQOSA-N 456.597 2.342 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1c(CC)nn(C)c1CC)[C@@H]1CCS(=O)(=O)C1 1705567646 XWSWRZXIDJLDJO-UTKZUKDTSA-N 474.631 2.053 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@](C)(O)[C@@H](C)CC 1705591473 QONOOQAXPPAOKL-YADARESESA-N 471.627 2.455 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@]2(O)CCO[C@H]2C)CC1 1705652942 SORLTVPVOJSIRR-UQBPGWFLSA-N 483.638 2.385 30 10 JEEE C=C(Br)Cn1c(N2CCC(OCCOC)CC2)nnc1[C@@]1(OCC)CCOC1 1705692649 OYIUNGFHVPTWSH-LJQANCHMSA-N 459.385 2.471 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)nnc1[C@]1(OCC)CCOC1 1705708272 AJESCYIRCBMJPK-CMXRIWHBSA-N 470.636 2.169 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccc1N1CCOCC1 1705737594 VWPVELWGRPEMEK-NRFANRHFSA-N 489.642 2.246 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC2(O)CCS(=O)(=O)CC2)CC1 1705772666 XYKYKXQHTXSZRJ-QZTJIDSGSA-N 452.621 2.293 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(=C)C 1705856717 CFDNXQVAPOLVFD-FQEVSTJZSA-N 461.588 2.388 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1705908034 FWJXWPYWSPVDJV-UZUQRXQVSA-N 473.599 2.265 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC(CN3CCCCCC3)CC2)nnc1[C@]1(OCC)CCOC1 1705908502 QPSKODWHBVFQEL-VWLOTQADSA-N 474.650 2.325 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC=C(C)C1 1705913402 MWUBFPSNFCFKKV-OAQYLSRUSA-N 473.599 2.381 30 10 JEEE CC(C)N(C)CCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@](F)(C#N)C1 1706549800 BXXYPHKESMRMGR-NRFANRHFSA-N 462.599 2.410 30 10 JEEE CC[C@@H](C)NC(=O)CCn1c(-c2cnccn2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1708624108 IEVNYKAWQGVIIO-QGZVFWFLSA-N 477.548 2.377 30 10 JEEE CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](C(F)(F)F)C1 1711425130 HSXOARHOBJTWJS-HNNXBMFYSA-N 472.493 2.057 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CCOC[C@@H]1OC 1722281208 UEIGGCKVZOBARA-SZMVWBNQSA-N 460.604 2.056 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1ccnc(OC(F)F)c1 1722282864 PEPJVTFFTPWRRE-CQSZACIVSA-N 451.441 2.423 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(C(=O)N2CCCCC2)cc1 1722419364 YRBXUOIIRPDHAE-UHFFFAOYSA-N 478.597 2.275 30 10 JEEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1722457374 BSYGOOVVVMPBLT-JOCHJYFZSA-N 475.622 2.364 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(N(C)C(=O)OCC)CC1 1722493821 KDAKEMBYURQAMK-PKOBYXMFSA-N 462.595 2.455 30 10 JEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccnc2OCC(F)(F)F)CC1 1722559872 KSGAAWXHJHYEEC-CQSZACIVSA-N 474.509 2.429 30 10 JEEE C=CC1CCN(c2nnc(COc3ccc(OC)cc3)n2CCNC(=O)c2cc[nH]n2)CC1 1722583408 UYBPVDNRRWLZQN-UHFFFAOYSA-N 451.531 2.421 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCOC[C@H]1OC 1722657187 UKCKKBDGRNLHRM-YPAWHYETSA-N 485.610 2.296 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2COc3ccccc3O2)n1CCN1CCN(C(C)=O)CC1 1722671968 HAPGWJQSFZJLQA-QFIPXVFZSA-N 452.559 2.133 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1722706679 XOKQOELYHGQAKT-IBGZPJMESA-N 480.548 2.194 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1CCN/C(O)=C1/N=CC=CC1=O 1740537686 XVMNQCOEQUCDOY-HDRCJFCASA-N 472.347 2.030 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCc1cccnc1)[C@@H]1CCS(=O)(=O)C1 1740618637 AEKNVVYGQXVHCN-HXUWFJFHSA-N 451.552 2.218 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1cccc(CN(C)C)c1)[C@H]1CCS(=O)(=O)C1 1740622392 CHTYLKDAWAFBEH-QFIPXVFZSA-N 478.622 2.385 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1Cc1ccc(NC(C)=O)cc1)[C@H]1CCS(=O)(=O)C1 1740623897 CJYHVJUBXIGVOT-NRFANRHFSA-N 498.634 2.267 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1740709328 FGHOIAPYPDYLON-SFHVURJKSA-N 469.615 2.280 30 10 JEEE C#CCSCCn1c(-c2ccccc2OC)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1740715344 XIKQRVPIFCQUCV-QGZVFWFLSA-N 463.629 2.086 30 10 JEEE C=C(C)Cn1c(N2CCN(c3nccnc3C#N)C[C@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 1740785893 IAIPONBGTJAOPU-WZONZLPQSA-N 452.563 2.272 30 10 JEEE C=CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CC1(O)CCS(=O)(=O)CC1 1740895432 ZDLXWFPBDJAAAX-UHFFFAOYSA-N 485.404 2.278 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCCN(C(C)=O)CC1)C(C)C 1740924249 LCRGRODHVCMASE-JOCHJYFZSA-N 471.650 2.271 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC[C@](C)(CC)O1 1740931735 BDZVLFDVYPTVOR-WFXMLNOXSA-N 453.609 2.137 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2ccc(C)c(C)c2)CC1 1740950810 IGFAESIBMUUOTM-UHFFFAOYSA-N 467.618 2.442 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1740988848 RHAXAYLWXHUUGJ-GUYCJALGSA-N 488.488 2.431 30 10 JEEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@@](C)(O)C2CC2)c1 1747600834 HHOCCFFNZYBIOE-XZOQPEGZSA-N 472.615 2.486 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1N1CCCCC1 1748672299 RQIDVURVCDHUQR-SIKLNZKXSA-N 486.642 2.108 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@H](C(CC)CC)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1748803033 URYOCPYFFSRJPN-SFTDATJTSA-N 479.691 2.339 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1Cc1nccn1C(F)F)[C@H]1CCS(=O)(=O)C1 1748810033 ZGEKNMBKVUXZOJ-KRWDZBQOSA-N 471.493 2.083 30 10 JEEE C#CCN(c1nnc(-c2cn(C)c3ccccc23)n1CCCCCO)[C@@H]1CCS(=O)(=O)C1 1748812072 PGHYCZQZHQFELA-GOSISDBHSA-N 455.584 2.226 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC(C)(C)C(=O)NC 1748887158 VYQWZCMAWNPWSJ-UHFFFAOYSA-N 473.581 2.300 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nc(C(C)(C)C)cs1 1748962467 IUDBHYGJSLIMRH-OAHLLOKOSA-N 451.618 2.069 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](CC)c3ccccc3)n2C[C@H]2CC(=O)N(CCOC)C2)CC1 1748976825 AYZHHUKBJFGDRR-GMAHTHKFSA-N 464.614 2.070 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](c2nc(C)no2)C1 1749020154 NATGIOYKELXFBR-INIZCTEOSA-N 452.544 2.367 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)COC)CC1 1749122661 ZDGSMXUFWKKFQK-RBBKRZOGSA-N 450.543 2.093 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccnc2)n1CCC[C@@H]1NC(=O)NC1=O 1749531360 IVRPMQVOUIQMAF-FQEVSTJZSA-N 456.510 2.393 30 10 JEEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(N(CC)CC)CC1 1749671059 YKNPEPJMHHPMNW-UHFFFAOYSA-N 481.649 2.065 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1749729302 GHUSCPQYBAXZKU-KRWDZBQOSA-N 496.572 2.062 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN([C@H](C)c2nccs2)CC1 1749732489 XJPSCUADPGACFU-MSOLQXFVSA-N 480.660 2.113 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2CCOC[C@@H]2OC)c1 1760127983 SRLOYDAMSAQTSO-RDCABSMISA-N 497.596 2.110 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1CC1CCN(CCN(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 1760185452 XIFCNDJPJVOBOY-HSZRJFAPSA-N 498.697 2.154 30 10 JEEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1CCc1ccc(S(C)(=O)=O)cc1 1760224373 IEHJKEOEFWOJDB-UHFFFAOYSA-N 452.540 2.031 30 10 JEEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](C)N1CCC(C)CC1 1760248017 YAHORWQCZUDEPB-FQEVSTJZSA-N 487.674 2.445 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccnc(C(F)(F)F)c2)CC1 1760263531 FPDACZWIYKVHQS-HKUYNNGSSA-N 464.492 2.219 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@](C)(O)CCC(C)C)CC1 1760270989 HKVJXXHSMWEXBK-VWLOTQADSA-N 469.634 2.293 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2F)CC1 1760316232 ONBFOTTWNNNWNQ-WFXMLNOXSA-N 492.621 2.335 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1760514844 GYYQBHISDKTWEI-QHCPKHFHSA-N 493.656 2.257 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1760519451 DNCTXBIREUJEPH-XDHUDOTRSA-N 471.558 2.039 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@H]2CC(F)(F)CO2)C1 1760539907 XRNAVUGOCALESD-MSOLQXFVSA-N 497.568 2.401 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1760556910 TZCQTUURSJEKBV-UHFFFAOYSA-N 493.515 2.236 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCC[C@H](OC(C)(C)C)C2)nnc1[C@@]1(OCC)CCOC1 1760558774 ZJMUKUYRVZUOFX-PGRDOPGGSA-N 470.636 2.315 30 10 JEEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(C1)OCc1ccccc12 1760559861 LSZOFWXIOGNQEH-HRAATJIYSA-N 463.629 2.443 30 10 JEEE C=CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](C#N)C1 1760566317 QVISQKVYTFIKIL-IAGOWNOFSA-N 464.592 2.234 30 10 JEEE CC(C)N(C)C(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCO[C@@H]2C)CC1 1761158863 ALZSCUIZLCQAGI-NIYFSFCBSA-N 496.612 2.352 30 10 JEEE Cc1cc(C)n(CCCn2c(COc3ccc(C#N)cc3)nnc2N2CCS(=O)CC2)n1 1762476069 AWPAQGOIXFDGOM-UHFFFAOYSA-N 453.572 2.201 30 10 JEEE CCN1CCN(CCCn2c(-c3cccc(C#N)c3)nnc2N2CCN(CC)[C@@H](C)C2)CC1 1765568791 GNTKCKZCVMSQHP-NRFANRHFSA-N 450.635 2.375 30 10 JEEE C=CCN1C(=O)C(NCCc2ccc(S(N)(=O)=O)cc2)=C(c2ccc(Br)cc2)C1=O 1863560131 LYRLVARTSJHVOP-UHFFFAOYSA-N 490.379 2.195 30 10 JEEE C=CCOc1ccccc1OCC(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(c3cccc(OC)c3)C2)CC1 1873793939 NLUYLYRGVTZPQG-HXUWFJFHSA-N 493.560 2.363 30 10 JEEE O=C(O)c1ccc(/C=N/n2c(SCCO)nnc2[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1 1874208334 CGMZLJLCLVZWHY-BBMHEYIBSA-N 465.535 2.459 30 10 JEEE COC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)(C)C)C2)n1/N=C/c1ccc2c(c1)OCCO2 1874277159 LLPYSFAPTFMBOI-QHBIDGPYSA-N 473.555 2.311 30 10 JEEE O=C(NCC#CCN1CCc2ccccc2C1)[C@@H]1CCCN1S(=O)(=O)c1cccc(F)c1 1891414153 GVAJSUCEWHZVRV-QHCPKHFHSA-N 455.555 2.157 30 10 JEEE C[C@@H](C(=O)N1CCC(CN(C)c2ncccc2C#N)CC1)N(c1ccccc1)S(C)(=O)=O 1892124969 BEJGYIRTDGBAKA-SFHVURJKSA-N 455.584 2.483 30 10 JEEE N#CC1CC(O)(C[S@](=O)C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)C1 1990676835 GPLMKDFBFUWUKH-MBRRDAPVSA-N 468.531 2.392 30 10 JEEE CN(C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1)[C@@H]1CC[C@H]1NC(=O)OCc1ccccc1 2255657354 NYXSXZMKKANUJO-RTBURBONSA-N 468.363 2.249 30 10 JEEE C[C@H](NC(=O)[C@H](O)[C@@H](C)NC(=O)OC(C)(C)C)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2256613885 KGBLSWKPAUNXJW-WOSRLPQWSA-N 454.398 2.499 30 10 JEEE C[C@@H](CNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1)CN(C)C(=O)OC(C)(C)C 2267469520 WYQQBRPJVYJYNN-AWEZNQCLSA-N 489.469 2.365 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C(F)(F)C1 2267519554 IDSNIQBEZCGURF-CYBMUJFWSA-N 456.299 2.083 30 10 JEEE CC[C@](C)(O)CN(Cc1ccccc1)S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2267710564 XPZQQYZLISUFFO-QFIPXVFZSA-N 463.409 2.071 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCN(CC(=O)NCc2sccc2B2OC(C)(C)C(C)(C)O2)C1 2268636273 BEJODFFUVYFQHQ-HNNXBMFYSA-N 465.425 2.263 30 10 JEEE C=C(CN(C)C(=O)C[C@@H]1CS(=O)(=O)CCN1C(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2268650143 NQFJSQNFGJVLKV-MRXNPFEDSA-N 472.413 2.057 30 10 JEEE Cc1cc(S(=O)(=O)N[C@H](COCc2ccccc2)C(=O)O)sc1B1OC(C)(C)C(C)(C)O1 2269032148 ORBVJWBDMZTLAJ-MRXNPFEDSA-N 481.401 2.304 30 10 JEEE CC(C)(C)OC(=O)N1CCCO[C@@H](CNC(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)C1 2281804185 IFCFYCRPPNCSHC-INIZCTEOSA-N 461.368 2.137 30 10 JEEE C[C@H](NC(=O)c1coc(B2OC(C)(C)C(C)(C)O2)c1)C1(O)CCN(C(=O)OC(C)(C)C)CC1 2281815173 QANJFUGOJBJICG-HNNXBMFYSA-N 464.368 2.459 30 10 JEEE Cn1ncc(C(=O)N2CCC[C@H]3[C@@H]2CCN3C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2281827398 VKUXCNWXTAJMBN-IRXDYDNUSA-N 460.384 2.333 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@]2(C1)C(=O)NCCN2C(=O)[C@H]1C[C@H]1B1OC(C)(C)C(C)(C)O1 2281931840 WVUXSOUCDHDPEY-PXAQALGRSA-N 463.384 2.197 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H](NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)C[C@]2(C)C1 2281977829 UWXRXUXCWINSOX-JIQFQSSQSA-N 460.384 2.474 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2CC[C@H]1[C@H]2NC(=O)OC(C)(C)C 2281980397 JIOORDBLFDBHGV-PVAVHDDUSA-N 460.384 2.330 30 10 JEEE CC(C)(C)OC(=O)NC[C@@]12CCC[C@@H]1CN(C(=O)c1cc(B3OC(C)(C)C(C)(C)O3)n[nH]1)C2 2281982501 NKVMVYQPZQDICP-IQMFZBJNSA-N 460.384 2.476 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2CN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)C[C@H]2C1 2281985363 JFRTVVNROICTHB-BZUAXINKSA-N 460.384 2.474 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(F)c(C(=O)N[C@H]2COC[C@H]2NC(=O)OC(C)(C)C)c1 2282019891 RQCIEABKMXBWIL-DLBZAZTESA-N 464.343 2.455 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)C1 2282052133 LNAJUTNKGXPVDS-HOTGVXAUSA-N 462.400 2.485 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@H]2CCN(C(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)o3)C[C@H]21 2282200118 JZVGIMUXSYZPDS-CVEARBPZSA-N 462.352 2.429 30 10 JEEE CC(C)(C)OC(=O)N[C@@]12CC[C@H]1CN(S(=O)(=O)c1cncc(B3OC(C)(C)C(C)(C)O3)c1)C2 2282347639 ASAVBWQTNPHJLH-OYHNWAKOSA-N 479.408 2.059 30 10 JEEE COc1ccc(S(=O)(=O)N(CCNC(=O)OC(C)(C)C)OC)cc1B1OC(C)(C)C(C)(C)O1 2282501516 XZPYZLNSWNRMTN-UHFFFAOYSA-N 486.396 2.071 30 10 JEEE C[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)N(C(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C1 2282538861 LVMMYVIJVHAXSK-HZPDHXFCSA-N 462.400 2.485 30 10 JEEE CN(C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1)[C@@H](CNC(=O)OC(C)(C)C)C(F)(F)F 2282585385 LDGVUWJMDROJPD-ZDUSSCGKSA-N 476.305 2.247 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2[C@@H]3C[C@H]3CN2C(=O)OC(C)(C)C)n1 2282596600 CHMNWIUKADSWBB-ZMSDIMECSA-N 460.384 2.187 30 10 JEEE COC(=O)c1[nH]c(C)c(C(O)=C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccccc2OC)c1C 2296114348 XZQUHVOWEYRWOO-HXUWFJFHSA-N 455.511 2.410 30 10 JEEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2301497337 RXRWUVZMTYPHSV-UXHICEINSA-N 451.633 2.426 30 10 JEEE CCOc1cc(C=Nn2c(CNC(C)=O)nnc2SCC(=O)NC2CCCCC2)ccc1O 2330770185 YNEUOFOUUHBMCP-UHFFFAOYSA-N 474.587 2.442 30 10 JEEE Cn1nc(C(=O)N[C@@H]2C[C@@H]3C[C@H]2C[C@H]3NC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2359268057 RIZIOVGQHQOFSY-CAOSSQGBSA-N 460.384 2.141 30 10 JEEE CN(C(=O)OC(C)(C)C)[C@@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CC1(C)C 2361514338 LOSGONNFVUIIHT-MRXNPFEDSA-N 462.400 2.437 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCc1ccc(NC(=O)OC(C)(C)C)nc1 2362464929 MHQOSBKXYBWBPC-UHFFFAOYSA-N 457.340 2.391 30 10 JEEE CCOc1ccc(/C=N/Nc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2N)cc1 20528010 XCWDVOGJKONXEM-SRZZPIQSSA-N 456.488 2.476 30 10 JEEE COC(=O)c1ccc(/C=N/Nc2nc(SCC(=O)NCCc3ccc(OC)cc3)n[nH]2)cc1 20905853 UFSGGZWGBQLJHP-ZMOGYAJESA-N 468.539 2.497 30 10 JEEE COc1ccc([C@H]2/C(=C(/O)c3c(C)n[nH]c3C)C(=O)C(=O)N2CCCN2CCOCC2)cc1 102751811 GQXQMKBRWZWCLS-AGGMBTAESA-N 454.527 2.179 30 10 JEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)[C@@H]2CCCN2c2ncnc3sccc23)CC1 482012866 FSIFGTPXYNMIDX-SFHVURJKSA-N 482.591 2.065 30 10 JEEE C[C@H](C(=O)c1ccc2c(c1)N(C)C(=O)CO2)[S@](=O)CC(=O)Nc1sc2c(c1C#N)CCC2 586354312 YEBIKDHXBWFZRV-CGRYZCQKSA-N 471.560 2.422 30 10 JEEE COc1cccc(C(=O)CSc2nnc(NN=Cc3cc(OC)c(O)c([N+](=O)[O-])c3)n2N)c1 1084116068 KIDFRQZXGFVULB-UHFFFAOYSA-N 473.471 2.044 30 10 JEEE C=CCn1c(SCC(=O)NCC(=O)N[C@H](C)c2ccc(F)cc2)nnc1-c1cnccn1 1165788636 BTLBLDXJAIBSSN-CQSZACIVSA-N 455.519 2.146 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2CC(C)(C)N2CCOCC2)c1 1286311092 JTRZXPKXWTYEOD-UHFFFAOYSA-N 487.608 2.431 30 10 JEEE C#CCCCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1286327860 KRRDSEGRKJXCDZ-UHFFFAOYSA-N 484.551 2.222 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2Cc2ncn(C)n2)CC1 1286474539 HDDFQOMHMSONIS-UHFFFAOYSA-N 475.782 2.293 30 10 JEEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1286501056 KVGWJDLLGDGUHT-LJQANCHMSA-N 479.614 2.172 30 10 JEEE C=CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1286688212 XDYSNUUGZWMOIO-INIZCTEOSA-N 466.633 2.218 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC(CC(=O)NC)CC1 1286782945 IHFZJWHLHPIWOG-UHFFFAOYSA-N 460.966 2.262 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CC[C@H]1C[C@H](C)N(Cc2ccccc2)C1 1288169058 CTFMRMRXSOQNMS-ILWGZMRPSA-N 465.602 2.446 30 10 JEEE C[C@@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCCC1(C)C 1291193360 ABBYHXIZLCHBQT-MZNJEOGPSA-N 452.559 2.337 30 10 JEEE C#CCNC(=O)CN1CCCN(C(=O)c2c[nH]cc2-c2cc(Cl)c3c(c2)OCCO3)CC1 1292889618 IJZRWORMMBEQPO-UHFFFAOYSA-N 456.930 2.004 30 10 JEEE C#CCCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1300352776 OZCSFLOOQVESNA-UHFFFAOYSA-N 466.586 2.468 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1CCN1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 1300499762 WRLLULQEUONEII-JOCHJYFZSA-N 453.612 2.066 30 10 JEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1Cc1cccc(C(=O)N[C@H](C)CC)c1 1300591734 VVCKMAFFJKZNFN-HXUWFJFHSA-N 460.582 2.440 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc[nH]3)n2Cc2ncnn2C(C)(C)C)n1 1300681015 JOFWETIZYPGXFA-UHFFFAOYSA-N 462.562 2.151 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(-c4ccc(F)cc4)s3)n2CCS(=O)(=O)NC)CC1 1300690994 UXFRSJOFNPUGHI-UHFFFAOYSA-N 488.614 2.117 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2CCC2(O)CCOCC2)CC1 1300718572 AEUOETTXDJLODR-UHFFFAOYSA-N 451.571 2.151 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2ccccc2F)C1 1300762415 JQNQHKZVZYZWJS-QFBILLFUSA-N 464.588 2.264 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)cc1OCC 1300805498 FRKOAZHCBKNFLT-ZJSXRUAMSA-N 487.626 2.359 30 10 JEEE C=C1CCN(c2nnc(-c3cc(Br)cn3C)n2CCOCCS(C)(=O)=O)CC1 1301069783 FIHWCARLQZFUQA-UHFFFAOYSA-N 472.409 2.264 30 10 JEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(OCCOC)CC1 1301458060 MMKUNOREJUZEOF-SFHVURJKSA-N 451.568 2.404 30 10 JEEE C=CCNC(=O)Cn1c(N2CCO[C@H](c3ccc(F)cc3F)C2)nnc1[C@]1(OC(C)C)CCOC1 1301520833 QJHDCBHBLDIINP-RDPSFJRHSA-N 491.539 2.477 30 10 JEEE C=CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1301612817 PMMDTJXKNIIWOA-HXUWFJFHSA-N 462.664 2.226 30 10 JEEE C#CCOc1ccccc1CNC(=O)NC[C@H](Cc1cccc(F)c1)C(=O)N1CCOCC1 1312003494 MEYMYTLGOJCANB-NRFANRHFSA-N 453.514 2.355 30 10 JEEE CNC(=O)[C@@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCCO[C@@H](C)C2)C1 1314965070 ICVSQPOKDIBNSY-DFBJGRDBSA-N 465.602 2.280 30 10 JEEE CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)CN(C)C(=O)OC(C)(C)C)CCO1 1315006537 FJJNEWUICBDVIV-YLJYHZDGSA-N 497.600 2.271 30 10 JEEE COCC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCCCC2)CC1 1315753798 CVJQNJWCGMDQCG-UHFFFAOYSA-N 451.575 2.034 30 10 JEEE C#CCN(c1nnc(CC)n1CC[C@H]1CCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1358964247 WIKCDJXZHMCXEK-QZTJIDSGSA-N 465.620 2.114 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1cccc(C)c1)N1CCOCC1 1358994214 HPGLSSGHTPWNPQ-ZEQRLZLVSA-N 495.649 2.025 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2Cc2snnc2C)CC1 1359035399 SIVVXOKFDMOACR-GOSISDBHSA-N 486.646 2.356 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCN(CC)C(=O)OC(C)(C)C)CC1 1359045966 ZCCDBZGOWSOGDY-IBGZPJMESA-N 474.606 2.005 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC[S@@](=O)CC 1359071651 YDYWWHZFSZHVRY-UFMLHLBNSA-N 465.620 2.347 30 10 JEEE C=CCC(C)(C)Cn1c(COc2ccccc2OC)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1359192112 WSBIFMBBWUZNTQ-UHFFFAOYSA-N 496.612 2.395 30 10 JEEE C=CCN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1)C1CC1 1359246489 CSOPWJDKPNUWHE-VFNWGFHPSA-N 450.536 2.262 30 10 JEEE C=CCN(CC=C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCOC[C@H]1OC 1359270134 CPGWOSZLRYZDBH-IEBWSBKVSA-N 460.604 2.468 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H]2CCCCO2)nnc1N1CCN(CC(=O)N(C)C)CC1 1359310547 ZCZATPWGQAJMQN-JOCHJYFZSA-N 468.602 2.343 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1359316640 SWFQGIKIXCDJRV-UXHICEINSA-N 456.572 2.022 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1c1ccccc1C 1359333008 MDRLHPBSKLDLBA-UYAOXDASSA-N 478.640 2.431 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC[S@](=O)C(C)(C)C 1360474108 HMBBHJDJIWXLOI-ZZQXMTQJSA-N 455.588 2.478 30 10 JEEE C#Cc1ccc(NC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1 1472285957 JPLYBUDZZPGDLC-QGZVFWFLSA-N 453.442 2.238 30 10 JEEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCSC2)C1 1502468723 DJEHCZOOLIFSOJ-IEBWSBKVSA-N 460.629 2.478 30 10 JEEE C#CCCCCn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)N(C)C2CCCCC2)CC1 1507563163 CUJUJQXCQITNKZ-OAQYLSRUSA-N 456.635 2.499 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H](C)N(C)C1CC1)[C@@H]1CCS(=O)(=O)C1 1507624686 CUZJNJSQIGWVEO-RHSMWYFYSA-N 495.447 2.145 30 10 JEEE C#CCN(c1nnc(CC)n1CCc1ccc(OCC(F)(F)F)nc1)[C@@H]1CCS(=O)(=O)C1 1507633097 CJTSSVITVDEGBS-MRXNPFEDSA-N 471.505 2.046 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CCOCC)CC1 1507803240 FIWVGFKQSBUIDO-PZJWPPBQSA-N 469.590 2.065 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC([C@H]2CCCO2)CC1 1507809551 XAMKHKWRVVJCRU-NBYUQASBSA-N 467.636 2.265 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC1(O)CCS(=O)(=O)CC1 1507816474 LRLJAHBBWMBZDI-UHFFFAOYSA-N 470.599 2.473 30 10 JEEE COC(=O)[C@H](c1ccccc1)N(C)C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1524099638 DOWHZSPKDWQYAA-NRFANRHFSA-N 455.536 2.332 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCCCN2CC)c1 1539042528 HIYDQLKTJHECIU-SFTDATJTSA-N 463.586 2.160 30 10 JEEE C#CCCCn1c(Cc2cccnc2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1539127840 QUTJJYSTYBZMKX-SZPZYZBQSA-N 463.630 2.304 30 10 JEEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccc1Cl 1539518235 WWRDEKMGWWDPNI-SFHVURJKSA-N 484.047 2.267 30 10 JEEE C=CCC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1539909959 CSXAZROLFGLHMV-UHFFFAOYSA-N 477.613 2.400 30 10 JEEE C=CC[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C)C1)c1ccccc1 1539948852 SLQITRAPCBLHIC-HMXCVIKNSA-N 475.615 2.196 30 10 JEEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1c(Cl)c(C(F)(F)F)nn1C)C1CC1 1540095055 MCFXRZYHDHQEAX-JTQLQIEISA-N 481.932 2.497 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1CC1([S@@](C)=O)CC1 1540122143 ZTUKFSZZSVRIBP-JGCGQSQUSA-N 452.584 2.489 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)[C@H](CC)C1 1540871640 QBZYOAPIZHECMS-KURKYZTESA-N 462.595 2.214 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2(CC(C)C)CC2)C1 1540892051 DTXWSLAFPDJXDH-RTBURBONSA-N 467.636 2.219 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(F)c(COC)c2)C1 1540893122 XOVUDXIIBBZFFC-MJGOQNOKSA-N 464.563 2.295 30 10 JEEE CCN(CC)C(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)NC(C)(C)C)CC1 1547414324 BSFNHBLOYJZWFJ-UHFFFAOYSA-N 494.644 2.112 30 10 JEEE CCN1CCN(C[C@@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(C(=O)OC)CC2)CC1 1547727508 GEFWJPGDXPJTOP-HXUWFJFHSA-N 479.629 2.480 30 10 JEEE CNC(=O)[C@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CCN1C(=O)CCn1nc(C)cc1C 1548369129 AGTAHWLHJCFBRV-LJQANCHMSA-N 462.476 2.244 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1cccnc1OCC(F)F)[C@H]1CCS(=O)(=O)C1 1588044921 CWBCMHNGOPXGQT-KRWDZBQOSA-N 488.520 2.054 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CCOc1ccc(F)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1588064523 JRRFGBSONUXOEJ-GOSISDBHSA-N 487.532 2.248 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(Br)c2)n1Cc1cn(C2COC2)nn1 1588200518 SSIWCBFISIPFAL-UHFFFAOYSA-N 496.369 2.390 30 10 JEEE C=C(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1593630732 MMGOIKPRZYLCHQ-UHFFFAOYSA-N 487.605 2.489 30 10 JEEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1594004286 ZWRDBIHGXMGHMX-KXBFYZLASA-N 476.965 2.296 30 10 JEEE C=CCC(C)(C)Cn1c(N2CCN(C(=O)C(=O)NC(C)C)CC2)nnc1[C@]1(OC(C)C)CCOC1 1594529087 PQJCZZTYYVEYML-VWLOTQADSA-N 490.649 2.094 30 10 JEEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCC(N2CCNC2=O)CC1 1595475828 GPPXLODWJUWEDO-HXUWFJFHSA-N 451.575 2.116 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1595555832 IHYHRAVSHZBXNQ-UHFFFAOYSA-N 474.009 2.455 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1595648796 INQPWLWTPSQUDP-UWVAXJGDSA-N 463.604 2.363 30 10 JEEE C#C[C@@H](NC(=O)c1ccc(CNS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1)[C@H]1CCCO1 1625619904 QVSPBPGTWDTZJJ-FGZHOGPDSA-N 455.536 2.034 30 10 JEEE CCC(CC)NC(=O)[C@H]1CN(CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)c2ccccc2O1 1657766647 HIOFMOAYICDKAH-JTHBVZDNSA-N 455.603 2.251 30 10 JEEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCN(Cc3ccc(O)cc3)CC2)CC1 1659865351 GVFFMDAIGPFSEP-XMMPIXPASA-N 451.546 2.058 30 10 JEEE CS(=O)(=O)c1cc(S(=O)(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)ccc1F 1660926142 FATZXIWDXONFNN-UHFFFAOYSA-N 453.517 2.164 30 10 JEEE C=CCN(C(=O)Nc1cc(S(=O)(=O)C(F)(F)F)ccc1OC)[C@@H]1CCS(=O)(=O)C1 1668582410 ATFJTADZKYLNDI-LLVKDONJSA-N 456.464 2.196 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)COC 1690091227 MKKZBFSEDYMBOC-HXUWFJFHSA-N 493.605 2.063 30 10 JEEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(C(=O)NCC)CCC1 1690518323 FESUPLUWNWQSKW-UHFFFAOYSA-N 460.604 2.124 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)c2ccsc2)CC1 1690666912 KIJJMCURSAGXBQ-UHFFFAOYSA-N 461.551 2.143 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 1690673079 NSHCSTZXDFEIBV-SFHVURJKSA-N 455.563 2.060 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCC[C@@H](c2nnc3n2CCC3)C1 1690723783 AYKVCGMVHZIHFD-QGZVFWFLSA-N 461.636 2.389 30 10 JEEE CC[C@@]1(C)CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CC(=O)N(CCOC)C2)CCO1 1694454302 ACXKKELOVWIBOL-CYFREDJKSA-N 452.559 2.317 30 10 JEEE CS(=O)(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC(F)(F)C2)CC1 1698312171 BXEUHBBVHUINIF-KRWDZBQOSA-N 480.541 2.246 30 10 JEEE C#CCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1705528990 ZLSVXHLSVOKQHB-MJGOQNOKSA-N 453.543 2.455 30 10 JEEE C#CCCCn1c(COc2cccc(C)c2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1705538084 CKUZBWJMMNKDPG-FQEVSTJZSA-N 450.587 2.368 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1Cc1ccc(N2CCO[C@H](C)C2)nc1)[C@H]1CCS(=O)(=O)C1 1705561749 WJLJPXCDWIGFEU-SBHAEUEKSA-N 486.642 2.087 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1Cc1ncccc1C)[C@H]1CCS(=O)(=O)C1 1705562899 MHXRIACNRGOBTQ-IBGZPJMESA-N 451.552 2.332 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC1(N(C)C)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1705564101 AAUZSGNLFLPZGE-WOJBJXKFSA-N 463.648 2.063 30 10 JEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1Cc1nnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1705571113 VWIGZVHNWDPWJZ-QGZVFWFLSA-N 477.015 2.357 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCCS(=O)(=O)C1 1705587123 IELVOIAEJFLHQZ-OALUTQOASA-N 475.615 2.248 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H](C)N2CCC(C)CC2)CC1 1705633947 CQMMHWIADJBXLT-NRFANRHFSA-N 484.670 2.224 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ccc(NC(N)=O)cc2)CC1 1705643376 DAKAWEPDRZLOEU-NHCUHLMSSA-N 465.602 2.491 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@H](C(C)C)N2CCCC2)CC1 1705650305 OZBFIGDOCYSOFC-HSZRJFAPSA-N 463.630 2.350 30 10 JEEE C=C(Cl)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CCOC)CCOC 1705754730 FAKNHAPLFXDCHJ-MRXNPFEDSA-N 459.975 2.438 30 10 JEEE C=CC[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](COC)C1)c1ccccc1 1705797468 WXGVAYRYUCHPQA-FCEUIQTBSA-N 489.642 2.444 30 10 JEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@@H](C)c2nccs2)CC1 1705830986 ZNHLHSBMTQZIQT-ZWKOTPCHSA-N 480.660 2.113 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1705896633 SNTMVKFWBABMEE-HXUWFJFHSA-N 451.531 2.050 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](c2nc(C)c(C)s2)C1 1705934368 KBTYZMFMQSOZRU-SJORKVTESA-N 478.644 2.287 30 10 JEEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1705948017 GCNSBLODKRZXEE-AVRDEDQJSA-N 486.690 2.048 30 10 JEEE CC(=O)N1CCN(CCn2c(-c3cccc(C#N)c3)nnc2N2C[C@H](C)S[C@@H](C)C2)CC1 1706002640 HPBWYTJCNCNBKT-ROUUACIJSA-N 453.616 2.311 30 10 JEEE CCCCN(C)CCn1c(Cc2cccnc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1709608763 CRGKKUCPAGCDMP-FQEVSTJZSA-N 474.617 2.373 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3noc4c3COCC4)n2CCOC(C)C)c1 1722308472 AWHKTZJTXDLPOZ-UHFFFAOYSA-N 464.526 2.487 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(=O)c2ccccc2)CC1 1722332523 MFQWHWOMAQOUDS-OAQYLSRUSA-N 485.610 2.124 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCCOC(F)F)[C@@H]1CCS(=O)(=O)C1 1722366053 QRDVJNLIWVMEBP-CYBMUJFWSA-N 492.346 2.292 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H](C)N(C)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1722369250 WSYNJJOHDZGQOC-YMPZKCBVSA-N 485.654 2.319 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(=O)N(C)C 1722418404 PGIGIESJTQZWTK-UHFFFAOYSA-N 483.573 2.105 30 10 JEEE C=C(Cl)Cn1c(N2CCN([C@H](C)C(=O)NC3CCCC3)CC2)nnc1[C@@]1(OCC)CCOC1 1722558531 QETJECDGAYVQQS-WZONZLPQSA-N 481.041 2.252 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@H](CC)C1 1722726523 CUEBNOLDJLTYLC-KRWDZBQOSA-N 480.660 2.465 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1722728022 MVJWXUAHDYLJLE-UHFFFAOYSA-N 456.616 2.271 30 10 JEEE Cc1ccc(Cn2c(CCN3CCN(c4ccccc4)CC3)nnc2N(C)[C@@H](C)CC#N)c(=O)n1C 1724366241 HBDQWQJIBZLUPM-QFIPXVFZSA-N 488.640 2.437 30 10 JEEE N#Cc1cccc(-c2nnc(N3CCN(CC(F)(F)F)CC3)n2C[C@H]2CCCS(=O)(=O)C2)c1 1731180224 FQUXLWNLEHZLDH-QGZVFWFLSA-N 482.532 2.326 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCOC[C@@H]1CCCO1 1740547236 QVPMWGGNDCWBNX-MSOLQXFVSA-N 450.543 2.236 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CCOC)CCCC1 1740731842 JGRHEERTRPVRAK-DENIHFKCSA-N 479.647 2.200 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C[C@H]2CCCO2)CC1 1740752583 YEUBMUCGQIFIHU-NNWRFLSQSA-N 474.650 2.479 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(N(C)C(=O)OCC)CC1 1740756028 DYJOBOCUWVZMIJ-HQRMLTQVSA-N 460.579 2.268 30 10 JEEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1740786912 SMSRVLPTMNSISJ-JXFKEZNVSA-N 456.547 2.120 30 10 JEEE C=CC[C@@H](Cn1c(C)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1)c1ccccc1 1740854546 QJRKOJSNWSWSSH-NRFANRHFSA-N 469.615 2.499 30 10 JEEE C=CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1)c1ccccc1 1740855085 UDDXUDLEDIBTIT-NQYYFHDYSA-N 475.571 2.362 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1740987233 CUFGSZKTYQACPR-IAGOWNOFSA-N 462.576 2.373 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCN(C)C(=O)[C@H]1C 1740987362 FMRSFPXVJRBIPA-HZPDHXFCSA-N 477.656 2.399 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCC[C@H](Oc2ncccc2F)C1 1740993347 YHAFLLJRXPZBCY-IBGZPJMESA-N 486.573 2.447 30 10 JEEE CN(C(=O)OC(C)(C)C)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nncn2C)C1 1747521122 CHNOOSQESHOTRG-SFHVURJKSA-N 463.546 2.439 30 10 JEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 1748752042 QWIPAIZOEGZBLD-MRXNPFEDSA-N 493.992 2.349 30 10 JEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1CCCCCO)[C@@H]1CCS(=O)(=O)C1 1748818296 ADJABHAYFLIGQS-LJQANCHMSA-N 450.992 2.312 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@](C)(O)c1ccsc1 1748842719 TZBRMYXBQWTNMR-DEOSSOPVSA-N 458.547 2.234 30 10 JEEE C#CCN(CC#CC)c1nnc(COc2ccc(C)cc2)n1CCN/C(O)=C1\N=CC=CC1=O 1748903179 UCBVTLAERAFHIF-WCWDXBQESA-N 458.522 2.155 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC(C)(C)O)n1 1748971074 BZESPGZLWVNCIF-WOJBJXKFSA-N 458.607 2.450 30 10 JEEE C#CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1749037777 INQWIVGYXPEFNS-KNQAVFIVSA-N 498.653 2.194 30 10 JEEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(c2cnn(C)c2)CC1 1749271546 ZDTYODKMVGEGQF-SFHVURJKSA-N 493.012 2.399 30 10 JEEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1749402569 PKEOGMRFUSGRPM-AEFFLSMTSA-N 463.608 2.111 30 10 JEEE C=CCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1749633474 AJDGTORNBQDKPJ-LJQANCHMSA-N 492.628 2.459 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1749663367 BOGYIJOXHLKEDC-KRWDZBQOSA-N 472.594 2.064 30 10 JEEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(CN(C)C(C)C)CC1 1749667051 RTZOQSJHRAKYFV-UHFFFAOYSA-N 478.601 2.453 30 10 JEEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN(Cc2c(CC)nn(C)c2Cl)CC1 1749670981 XDFKCNHDVTZNMU-UHFFFAOYSA-N 477.057 2.440 30 10 JEEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1749672220 SZFLMPOLPBKDTH-MRXNPFEDSA-N 461.513 2.224 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccc(F)cc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1749715145 PZFSKPWETYYLEC-VCGVYRDQSA-N 466.517 2.316 30 10 JEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 1749756304 WIGKMFJCQHHZCU-QGZVFWFLSA-N 493.655 2.400 30 10 JEEE CC(C)(C)c1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2Cc2ccc(C(N)=O)nc2)cc1 1750127324 DFTAHHODCSZEHD-FQEVSTJZSA-N 475.553 2.426 30 10 JEEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H](CC(C)C)NC(=O)OCC 1760168365 YWKMRWHIVNFZKI-SFHVURJKSA-N 451.535 2.151 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1CC(C)(C)CN(C)C)[C@@H]1CCS(=O)(=O)C1 1760183910 DWEFFIPPCMNRMU-GOSISDBHSA-N 489.642 2.177 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@@H]1CCCOC1)[C@H]1CCS(=O)(=O)C1 1760185918 HABFFGAYCCVJIA-IRXDYDNUSA-N 464.538 2.200 30 10 JEEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1Cc1occc1C)[C@@H]1CCS(=O)(=O)C1 1760192174 RQULYVDDRWSJMZ-GOSISDBHSA-N 470.551 2.442 30 10 JEEE C#CCN(c1nnc(CC2CCCC2)n1CCn1cc(Cl)cn1)[C@@H]1CCS(=O)(=O)C1 1760192850 YLGAZBZJNFKJIA-GOSISDBHSA-N 450.996 2.188 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)CN2CCCCC2)CC1 1760265381 ZTPNCLPDJNMIMK-HXUWFJFHSA-N 492.628 2.013 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCc2c[nH]nc2C)CC1 1760266655 HSFUHMFDFMGQDA-UHFFFAOYSA-N 456.554 2.447 30 10 JEEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1760275887 MHDAWEMMGYEYNY-RBUKOAKNSA-N 490.699 2.481 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)C(F)(F)F 1760295755 WCDWEAVJGQXPOO-RDTXWAMCSA-N 463.526 2.192 30 10 JEEE C=C(C)COCCn1c(-c2ccccn2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1760354457 BIIUHHJZCPQGPJ-JOCHJYFZSA-N 461.570 2.281 30 10 JEEE C=CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1760431837 AMRYWGBOFWEQIX-QGZVFWFLSA-N 495.675 2.031 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2C[C@](C)(O)[C@@H](C)CC)C1 1760537361 MKOMFZYINWZBLL-WGGBDISSSA-N 452.563 2.499 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccnc(OC(F)F)c2)C1 1760542384 GQWNPHOGPITXQO-JKSUJKDBSA-N 469.514 2.006 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@@H]1CCOC[C@@H]1OC 1762288890 DDROVMCJPYZZLK-REWPJTCUSA-N 495.628 2.446 30 10 JEEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCCN(c2nccc(OCC)n2)CC1 1764568414 GTLAZKDKRSIVBF-UHFFFAOYSA-N 489.584 2.248 30 10 JEEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H]2CCC[C@H](O)C2)c1 1766940540 AYJUIXAGUJQUBP-NRJQMVOHSA-N 476.578 2.188 30 10 JEEE C=CCOc1ccccc1[C@H]1C(C(=O)NCCO)=C(N)Oc2c1c(C(F)(F)F)nn2CC 1864322145 FNXVRYIPVHOIMO-CQSZACIVSA-N 452.433 2.290 30 10 JEEE CCCCCCCCn1cc(OCC(=O)OCCOC)c(=O)cc1CN1CCN(C(C)=O)CC1 1870476991 PACQWUHHDQLADS-UHFFFAOYSA-N 479.618 2.441 30 10 JEEE COc1cc(C(=O)N2CCC(OCC#CCN3CCN(C(C)C)CC3)CC2)cc(OC)c1OC 1890409518 KNNOCKZEGYRWBA-UHFFFAOYSA-N 473.614 2.363 30 10 JEEE COCCn1c(C(=O)NCC#CCN(C)Cc2ccccc2)cc2c(=O)n3ccccc3nc21 1890974806 BWKGOUUXRPGFRI-UHFFFAOYSA-N 457.534 2.161 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](C[C@H]1CCCO1)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2180981058 PSQBIYYUJPTNBF-CVEARBPZSA-N 462.356 2.177 30 10 JEEE CC(C)(C)OC(=O)NC1(C(=O)NCCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CC(O)C1 2193520671 AANFNYOPFXRPHS-UHFFFAOYSA-N 460.380 2.063 30 10 JEEE CC1(C)OB(c2csnc2C(=O)N[C@H]2CCOC[C@H]2NC(=O)OCc2ccccc2)OC1(C)C 2255540855 STYDMVIIQFZPDL-ZWKOTPCHSA-N 487.387 2.256 30 10 JEEE CC1(C)OB(c2scnc2C(=O)N[C@@H]2COCCN(C(=O)OCc3ccccc3)C2)OC1(C)C 2255643265 RMSIDTZJUSFAFF-KRWDZBQOSA-N 487.387 2.210 30 10 JEEE C[C@@H](CNC(=O)OC(C)(C)C)NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2255746193 VYHYEUYRSJVVCH-ZDUSSCGKSA-N 458.361 2.316 30 10 JEEE Cc1cc(CN(C)C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)sc1B1OC(C)(C)C(C)(C)O1 2256625197 SWLIRQPPGIYKLN-HNNXBMFYSA-N 454.398 2.200 30 10 JEEE CCN(C[C@@H](C)NC(=O)OC(C)(C)C)C(=O)c1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C 2266990284 PLCFGPSFGJBOIL-CQSZACIVSA-N 450.389 2.403 30 10 JEEE CC1(C)OB(c2cncc(S(=O)(=O)N[C@H]3CCCN(Cc4ccccc4)C3)c2)OC1(C)C 2267378611 NAMCLOFXDNHRGC-FQEVSTJZSA-N 457.405 2.324 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(C)[C@@H](C)CN(C)C(=O)OC(C)(C)C 2267524035 JYQFXUBZLHNEMQ-AWEZNQCLSA-N 450.389 2.355 30 10 JEEE Cc1sc(C(=O)N[C@H](C)C2(O)CN(C(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2267544474 UZVHFARMOZPSNI-CQSZACIVSA-N 466.409 2.456 30 10 JEEE CC(C)(C)OC(=O)N[C@](C)(C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1)C(C)(C)O 2268630044 FPKXRLNEXRLBKI-OAQYLSRUSA-N 469.413 2.113 30 10 JEEE CN(Cc1csc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)[C@@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C 2268651014 SUOUQMNJSGANAB-CVEARBPZSA-N 466.409 2.376 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)sc1CNC(=O)[C@]1(NC(=O)OC(C)(C)C)C[C@@H](O)C1 2268707511 WCSORPSWPWJRPE-XLOAEROZSA-N 466.409 2.390 30 10 JEEE Cn1ncc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2281827826 AYODHVKOEQHCQR-MUJYYYPQSA-N 460.384 2.380 30 10 JEEE CC[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 2281978135 YMYPPUOSGRKGSM-CVEARBPZSA-N 462.400 2.485 30 10 JEEE Cn1cc(C(=O)N2CCC[C@]23CCN(C(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)n1 2281978978 AQXJQGYNOFXGIH-HSZRJFAPSA-N 460.384 2.335 30 10 JEEE CCc1nn(C)c(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H]3C[C@H]32)c1B1OC(C)(C)C(C)(C)O1 2281986888 WCNTVRVGQRASBD-HZPDHXFCSA-N 460.384 2.116 30 10 JEEE CCON(C(=O)c1nn(CC)cc1B1OC(C)(C)C(C)(C)O1)C1CN(C(=O)OC(C)(C)C)C1 2282004658 KZSBZVGETCIGRM-UHFFFAOYSA-N 464.372 2.215 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@@]2(COCCN2C(=O)C2(B3OC(C)(C)C(C)(C)O3)CC2)C1 2282040449 JLMMMJNWOLVWDU-JOCHJYFZSA-N 466.384 2.478 30 10 JEEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@@H]3CCCCN3C(=O)C(F)(F)F)cc2)OC1(C)C 2282338082 LHVAAKYPBAXXBB-HNNXBMFYSA-N 476.326 2.208 30 10 JEEE C[C@H]1CN(S(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C[C@H]1CNC(=O)OC(C)(C)C 2282351438 AJFVAYIPJLATRX-JKSUJKDBSA-N 481.424 2.162 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2[C@H](NS(=O)(=O)Cc3cccc(B4OC(C)(C)C(C)(C)O4)c3)[C@H]2C1 2282490705 IQAURMHLFWOUPY-BWTSREIZSA-N 478.420 2.271 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H]2OCCN(C(=O)c3nscc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2282529339 FDDMNQNZSULTSN-JKSUJKDBSA-N 479.408 2.293 30 10 JEEE Cn1cc(C(=O)NC[C@]23CC[C@H]2CN(C(=O)OC(C)(C)C)C3)nc1B1OC(C)(C)C(C)(C)O1 2282545202 HVHOKZGQHASUCO-WNSKOXEYSA-N 460.384 2.096 30 10 JEEE CN(C(=O)OC(C)(C)C)[C@H]1CN(C(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)CC12CC2 2282545306 HSIMDDZUBCPWNA-INIZCTEOSA-N 460.384 2.191 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@H](NC(=O)C(F)(F)F)C[C@H]2C)n1 2282554536 FUQDZFVGICMIMA-KGLIPLIRSA-N 455.286 2.361 30 10 JEEE CC(C)(C)OC(=O)NCc1cccnc1NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2282611001 FMRSBGSPCNNBAM-UHFFFAOYSA-N 455.324 2.448 30 10 JEEE CN(C(=O)OC(C)(C)C)[C@@H]1CN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CC12CC2 2282612262 DSIPREJMIIYNDG-MRXNPFEDSA-N 458.368 2.247 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2282648621 QGZWPTAZQRXVPW-RBUKOAKNSA-N 458.364 2.446 30 10 JEEE CCOc1cc(C=Nn2c(CNC(C)=O)nnc2SCC(=O)NCc2ccccc2)ccc1O 2330795036 RZGDYMLETXUGAX-UHFFFAOYSA-N 482.566 2.309 30 10 JEEE Cn1cc(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 2359278111 WTSWSUJYVVZUDW-DIECFANBSA-N 460.384 2.141 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(S(=O)(=O)c4ccc(F)c(F)c4F)CC3)cc2C1=O 14938404 UEYGKHNZTODFJJ-UHFFFAOYSA-N 493.463 2.033 30 10 JEEE CN(C)C[C@@H](Cc1ccccc1)NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 108565843 CVPPQVONRLBQLG-JOCHJYFZSA-N 454.596 2.248 30 10 JEEE CC(=NOCC(=O)OCC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl)c1ccc2c(c1)OCO2 254832701 IIZMWBIQMZEUEL-UHFFFAOYSA-N 482.898 2.395 30 10 JEEE C=CCSC1=NC(=O)C2=c3ccccc3=N[C@@H](c3cc4c(cc3Br)OCO4)N2N1 588227496 OUPNBHSZASIESM-GOSISDBHSA-N 471.336 2.240 30 10 JEEE C=CCNC(=O)CN1CCN(C(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)CC1 680518302 XHTRGTCPZSBZAX-UHFFFAOYSA-N 473.927 2.417 30 10 JEEE C[C@H]1CC[C@@H](C)N1CCN1CCN(S(=O)(=O)c2cccc(Br)c2C#N)CC1 1209075779 DWCNDZZWRRCWGW-IYBDPMFKSA-N 455.422 2.500 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@H]1NC(=O)CC1(C)C 1286410117 WTIJTTORUFISBB-FQEVSTJZSA-N 471.565 2.053 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@](C)(O)CCOC)CC1 1286473072 HMGMTUBQQYRALF-NRFANRHFSA-N 462.392 2.250 30 10 JEEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@H]2CCOC[C@@H]2OC)CC1 1286485100 UWTFUZQTLMIKDJ-GGAORHGYSA-N 453.587 2.281 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CCOc2ccc(Cl)cn2)CC1 1286491002 AIFUBQOUOBPMPJ-UHFFFAOYSA-N 479.972 2.357 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1CC1(OCCOC)CCOCC1 1286515601 JUIHQJMCTFQUSR-ISKFKSNPSA-N 462.591 2.135 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccc2OC)nnc1N1CCCN(S(C)(=O)=O)CC1 1286560662 HOKBMGSOEOZOQY-GHTZIAJQSA-N 475.615 2.407 30 10 JEEE C=C(C)COCCn1c(-c2cccc(OC)c2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1286603944 CHAXZRLQBVXULV-GOSISDBHSA-N 466.546 2.078 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCN(C(=O)N2CCCC2)CC1 1286817835 YMWITEMNJJWQBO-UHFFFAOYSA-N 472.615 2.192 30 10 JEEE C[C@@H]1C[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(N(C)S(C)(=O)=O)CC2)CCO1 1291022544 IEMPAFVUOHPNHC-MJGOQNOKSA-N 472.615 2.492 30 10 JEEE CNC(=O)CCn1c(COc2ccc(Br)cc2)nnc1N1CC[C@@](F)(C#N)C1 1299261730 DGRGYQRHOQYYAC-GOSISDBHSA-N 451.300 2.198 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCC[C@@H](O)C2)c1 1300331926 UQENUTFGYLKIIU-PZJWPPBQSA-N 464.570 2.121 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCCn1nc(C)cc1C)[C@@H]1CCS(=O)(=O)C1 1300489413 NOMJGEROUOTZKC-LJQANCHMSA-N 456.572 2.377 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1CCC(=O)N1CCCCCC1)[C@@H]1CCS(=O)(=O)C1 1300502465 VDXLABPFJOHECQ-HXUWFJFHSA-N 489.667 2.350 30 10 JEEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1CCC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1300504602 OQMOPPWHRFQLPP-FQEVSTJZSA-N 488.610 2.309 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(Br)cc3)n2CCCn2ccnn2)CC1 1300707825 KYLPMKFRSFVTGS-UHFFFAOYSA-N 485.390 2.057 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](CN(CC)CC)C1 1300886312 WYOWPZKEHHDERP-WOZUAGRISA-N 465.664 2.330 30 10 JEEE C=C(C)COCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1300981301 XLMAKMCFUOWFHA-HXUWFJFHSA-N 479.589 2.255 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](c2ccc(C)cc2)N(C)C)CC1 1301085783 AFUKHMHBWNDZRT-FGZHOGPDSA-N 488.658 2.379 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CCC[C@H](NC(C)=O)C1 1301482714 ATCOBSVREBXMHB-KRWDZBQOSA-N 461.364 2.115 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCN(CC(F)(F)F)CC1 1301587477 PNLNSGIEYROOMQ-UHFFFAOYSA-N 471.549 2.462 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ccccc2F)CC1 1301589866 YZOJTUCYKGBACB-GOSISDBHSA-N 463.579 2.239 30 10 JEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1301611735 GOJBDPZPXOTGQM-QGZVFWFLSA-N 492.627 2.334 30 10 JEEE COCCN(C)CCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1301735546 COZYAAKZBBLITR-HSZRJFAPSA-N 478.601 2.168 30 10 JEEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(OCC(F)(F)F)nc1 1303639955 HJKOLADKFCUMLO-ZBFHGGJFSA-N 486.520 2.497 30 10 JEEE CCN1CCN([C@H](C)Cn2c(C3CCN(c4ncccn4)CC3)nnc2N(C)[C@H](C)CC#N)CC1 1313926578 DSJJQXSFRBNJFB-NHCUHLMSSA-N 480.665 2.216 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCc1nccnc1C 1358875309 NEYPJERDYWKWQE-OAHLLOKOSA-N 452.588 2.346 30 10 JEEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1358954588 NPVWDFSOBNHKPC-IXDOHACOSA-N 486.539 2.381 30 10 JEEE C#CCN(c1nnc([C@@H](CC)c2ccccc2)n1CC1(O)CC(OCC)C1)[C@@H]1CCS(=O)(=O)C1 1358956275 CSEYLCKMRFQRBI-UQRZOWCNSA-N 486.638 2.377 30 10 JEEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1358966679 UBDFTAQSMWABHW-WOJBJXKFSA-N 458.584 2.280 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(C)nc3ccccc23)n1CCS(=O)(=O)N1CCSCC1 1358971425 UZQNSSABEPJARR-UHFFFAOYSA-N 494.646 2.253 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CC(C)(C)N2CCC(OC)CC2)CC1 1359045192 ZGXYJSUJDJJGJD-OAQYLSRUSA-N 486.661 2.027 30 10 JEEE C#CCSCCn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1359050549 ULKSBCSHWCJISF-ZFWWWQNUSA-N 463.405 2.127 30 10 JEEE C#CCSCCn1c(N2CCCC[C@@H](S(C)(=O)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1359062083 VPPGSSADXQXFMO-WIYYLYMNSA-N 470.661 2.089 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1359063833 FOGAVJXPNRPXCV-DQMJNTIXSA-N 488.610 2.359 30 10 JEEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCc2ccccc2CC1 1359304102 LMKRTWRHSTZVIM-UHFFFAOYSA-N 450.568 2.177 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(F)(F)c2ccccc2)C1 1359321967 NWKBSSUBTUMALF-RTBURBONSA-N 497.568 2.184 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CCC2(CC1)COC(=O)N2 1359327524 DJXNHLCUUFIKQF-UHFFFAOYSA-N 465.963 2.278 30 10 JEEE COc1ccc(C(=O)N2CCN(C(=O)[C@H](C)Oc3ccc(C#N)cc3)CC2)c(OC)c1OC 1435395694 AJIRZNDAENEDEO-INIZCTEOSA-N 453.495 2.336 30 10 JEEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(F)c1 1435550464 CYIRZOTXHNOVCX-IAMHBRQHSA-N 456.909 2.397 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2ccccc2C(=O)N=S(C)(C)=O)ccc1F 1436413201 KWWDQIHZIXXTHD-UHFFFAOYSA-N 453.517 2.410 30 10 JEEE CCS(=O)(=O)NCCn1c(-c2cccn2C)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1503281402 FBWFIEBJTMMUDZ-UHFFFAOYSA-N 453.572 2.264 30 10 JEEE CN(C)c1cccnc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(C#N)cc1 1503391513 GURWCLQOLRSJMQ-LJQANCHMSA-N 465.583 2.198 30 10 JEEE COc1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CC[C@@](F)(C#N)C2)cc1OC 1504260153 BUTBDVYQRDTZSL-JOCHJYFZSA-N 451.462 2.433 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@@H]1CCCCN1CC)[C@H]1CCS(=O)(=O)C1 1507627369 SKOATGZYZFHRFI-SFTDATJTSA-N 471.627 2.455 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ncn(C)n1)[C@H]1CCS(=O)(=O)C1 1507630186 ZTYDKYPLKDPIAY-AWEZNQCLSA-N 480.381 2.055 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCN1CCN(C(C)=O)CC1 1507644320 HGUUPIXAZTVDFF-UHFFFAOYSA-N 459.381 2.489 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCN2CCCCC2=O)CC1 1507734610 QNDMWCNQKPPYDS-UHFFFAOYSA-N 493.568 2.222 30 10 JEEE C=C(Cl)Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@H](OC)C[C@H]1c1nnc2n1CCC2 1507855477 WOBDTJYDLLABIM-CVEARBPZSA-N 462.986 2.453 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1Cl)C1CC1 1507992465 DGDWFICYDAAMJN-SFHVURJKSA-N 451.980 2.468 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCO[C@]2(CCOC2)C1 1508074045 PXCNLTUFSSXGAU-HXUWFJFHSA-N 480.338 2.145 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H]1CC 1508134161 BRQWQMXNHHGOMA-KRWDZBQOSA-N 452.602 2.328 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1508136047 PAPNXAHQTRYKMO-IUKKYPGJSA-N 476.599 2.327 30 10 JEEE C=CCSCCn1c(N2CC[C@@](C)(N3CCOCC3)C2)nnc1[C@@]1(OCC)CCOC1 1508169093 XSSCVTWUODXVQE-FGZHOGPDSA-N 451.637 2.150 30 10 JEEE CN(C)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)CC1)c1cccs1 1516983422 GGDPSGNUIUKECC-IBGZPJMESA-N 485.639 2.263 30 10 JEEE COCC[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CC(=O)N(CCOC)C2)C1 1519000476 DQGYTAKMCTZSIP-UXHICEINSA-N 452.559 2.174 30 10 JEEE C#CCCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1539044524 CKNPHFCSCDXTOT-SFHVURJKSA-N 463.590 2.377 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1Cc1ccc(N2CCOCC2)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1539203289 OXQRQGHVWDSRBA-UYAOXDASSA-N 489.617 2.442 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1Cc1ncccc1C)[C@@H]1CCS(=O)(=O)C1 1539204483 AIRKVNATNUDKNO-LJQANCHMSA-N 481.578 2.341 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CC1(N(C)C)CCCC1)[C@H]1CCS(=O)(=O)C1 1539210264 AQNVXSUJPYOPPG-FQEVSTJZSA-N 471.627 2.455 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@H](C)Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 1539216327 QIKHQVDYPFQUPA-SJLPKXTDSA-N 458.613 2.246 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1C[C@@](C)(O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1539229469 DTYGYLCYAIGOSM-HYBUGGRVSA-N 472.611 2.262 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CC(c2ccccc2)C1 1539369974 QRHHJGYVEODUEU-DQVLVPHSSA-N 457.600 2.264 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCN(C)C2CCCCC2)CC1 1539430736 MXRFWPOSPQQQKH-VWLOTQADSA-N 458.651 2.338 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2CCCNS(=O)(=O)CC)CC1 1539438496 YTAYAVRKRYOGQO-GOSISDBHSA-N 490.699 2.216 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCS(=O)(=O)N(C)C 1539556260 ABRJKQZKXDEXSP-HSZRJFAPSA-N 494.662 2.276 30 10 JEEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2oc(C3CC3)nc2C#N)CC1 1539721760 GMQLKVCSGFVNTC-UHFFFAOYSA-N 468.562 2.073 30 10 JEEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@H](CC)C1 1540863892 IKPLXWIAKPRVBE-KRWDZBQOSA-N 459.620 2.475 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(=O)C(C)C)CC1 1540903552 GDEHXXPMZDKBIJ-UHFFFAOYSA-N 481.569 2.053 30 10 JEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC2(CCC(F)(F)CC2)C1 1540907424 WJVHJGYBZHVLRL-UHFFFAOYSA-N 471.574 2.407 30 10 JEEE C[C@H](Oc1ccccc1F)c1nnc(N2CCO[C@H](C#N)C2)n1CCN1CCOC(C)(C)C1 1541984890 FILXNBLAXRARTF-ZWKOTPCHSA-N 458.538 2.397 30 10 JEEE Cc1c(C#N)c(NC(=O)CN2CCN(C(=O)c3ccc(O)nc3)CC2)n(-c2ccccc2)c1C 1559668647 HNAGFYJAEXXECT-UHFFFAOYSA-N 458.522 2.463 30 10 JEEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 1587898522 QWTXSNLMBWDGHQ-CECAUBDESA-N 456.543 2.486 30 10 JEEE C#CCN(c1nnc(-c2ccccc2F)n1Cc1csc(COC)n1)[C@@H]1CCS(=O)(=O)C1 1588045857 RQDDSSYZDIWQQU-MRXNPFEDSA-N 475.571 2.362 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1Cc1cccc(CSC)c1)[C@H]1CCS(=O)(=O)C1 1588050884 WZBURNGKWAJFQP-IBGZPJMESA-N 468.608 2.273 30 10 JEEE C#CCN(c1nnc(C2CCC2)n1Cc1ccc(N(CC)CC)nc1)[C@H]1CCS(=O)(=O)C1 1588055830 ZZJFPDQNUQNKQD-FQEVSTJZSA-N 456.616 2.462 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCc1cnn(C)c1 1588233678 NRUXYESFTHFNAX-NRFANRHFSA-N 481.601 2.416 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCc2cc(OC)ccc2OC)CC1 1588733740 ZCIPEMIBWZIMJZ-UHFFFAOYSA-N 489.580 2.331 30 10 JEEE C#CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCCN(C(C)=O)CC1 1589052954 BDFIBAXESCLOAJ-UHFFFAOYSA-N 451.556 2.019 30 10 JEEE C#CCSCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1589116976 QLWKBSWGVXOSQT-UHFFFAOYSA-N 498.653 2.014 30 10 JEEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 1595569850 PAJUEZAAWJUZFI-IRLDBZIGSA-N 485.677 2.130 30 10 JEEE C=CCOc1ccccc1Cn1c(-c2cccn2C)nnc1N1CCCN(S(C)(=O)=O)CC1 1595649613 SBIUUVKHPVXNIH-UHFFFAOYSA-N 470.599 2.368 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1cccc(Br)c1 1595788701 HIYLIELAIHTETD-MRXNPFEDSA-N 482.404 2.229 30 10 JEEE C=CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1595850227 KLEAOQNNGMHWDT-KRWDZBQOSA-N 471.543 2.245 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1nc2cccc(Cl)c2n1C 1596782107 GTJUHVGGXYTQKN-CHWSQXEVSA-N 464.983 2.073 30 10 JEEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCSC2)CC1=O 1619951651 HPZLVFJTONZVIT-IBGZPJMESA-N 470.599 2.167 30 10 JEEE C#CC[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)OCC1c2ccccc2-c2ccccc21 1637989560 IVSOBGUCQHEFNV-OSPHWJPCSA-N 458.518 2.360 30 10 JEEE CCN(C[C@H](C)C#N)S(=O)(=O)N1C[C@@H](C(=O)OC)[C@H](c2ccc(Br)cc2)C1 1663994285 BMWPTEZKZGIRET-XOKHGSTOSA-N 458.378 2.364 30 10 JEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@@H]3CCCN(c4ccccc4)C3)CC2)cc1 1677711175 BPCVRAKZYPNDKG-HXUWFJFHSA-N 453.568 2.243 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1CCCN1CCCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1689986126 JDDFYQOXWZZSHC-PZJWPPBQSA-N 456.616 2.231 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1[C@H](C)CCN1C(=O)OC(C)(C)C 1689998235 GJLVBWRENKNYSC-RTBURBONSA-N 454.575 2.232 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](c2ccsc2)N(C)C)CC1 1690375910 XAMFGBRYRRPVMB-MOPGFXCFSA-N 480.660 2.132 30 10 JEEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@@H](COC)C1 1690671428 VXDWIPLPVOLLPI-QGZVFWFLSA-N 462.595 2.168 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H]3CCCOC3)nnc2N2CCC(OCC(N)=O)CC2)cc1 1690680568 VVHCXZSZUXTCFM-LJQANCHMSA-N 455.559 2.256 30 10 JEEE CCO[C@@H](CCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C#N)cn2)CC1)C(C)C 1696004688 AUIJCJGZTYXLQJ-FQEVSTJZSA-N 468.606 2.461 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CCC3)n2CC2(CS(C)(=O)=O)CC2)c1 1705507034 PHTAWFYPJBABCU-UHFFFAOYSA-N 455.584 2.427 30 10 JEEE C#CCN(c1nnc(-c2ccccc2)n1CCCOC[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 1705564504 OTXPMXYSFUQPSM-SFTDATJTSA-N 458.584 2.158 30 10 JEEE C#CCN(c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@H](CC)OC)[C@H]1CCS(=O)(=O)C1 1705567630 ZJOMZRPSBQMDPX-LEWJYISDSA-N 468.583 2.183 30 10 JEEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(S(=O)(=O)c2ccccc2)CC1 1705747361 LFNGPCHYQILYCD-HNNXBMFYSA-N 488.035 2.084 30 10 JEEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2ccc(Cl)nc2C1 1705825056 IBVJKMJWCCRHII-AWEZNQCLSA-N 454.984 2.092 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c([C@H]2CCOC2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O)C(C)C 1705869401 UEIQBYRYAREKAU-PMACEKPBSA-N 485.633 2.001 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1 1705880025 ROFRCRZFNYWHNR-NRFANRHFSA-N 471.583 2.487 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC2=CCCOC2)C1 1705919350 CABWJBCMVXOEBW-HXUWFJFHSA-N 473.599 2.323 30 10 JEEE C#CCCCn1c(Cc2csc(C)n2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1722334489 CCBRQZCWPXFESP-AVRDEDQJSA-N 469.659 2.426 30 10 JEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc(NC(=O)N(C)C)cc1 1722350227 QGNIWUHXSCMGLZ-UHFFFAOYSA-N 480.598 2.449 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1c(F)cc(F)c(F)c1F)[C@@H]1CCS(=O)(=O)C1 1722369158 ZFYYBPBUBFPRKR-QWHCGFSZSA-N 472.464 2.013 30 10 JEEE C#CCN(c1nnc(CSc2ccc(Cl)cc2)n1CCn1cncn1)[C@H]1CCS(=O)(=O)C1 1722369669 DMNFZOJGHYPTHA-KRWDZBQOSA-N 492.030 2.142 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(Br)c2)n1CCc1n[nH]c(C)n1 1722377178 RPLLMNSOPKAZBQ-UHFFFAOYSA-N 454.332 2.458 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(c2ccc(F)cc2F)CC1 1722390763 UMOYVCIDNOMXDW-INIZCTEOSA-N 461.538 2.361 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(F)ccc3Br)n2CCOCCN(C)C)CC1 1722433531 YVJJGBNXUAYULI-UHFFFAOYSA-N 479.398 2.180 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2C[C@H](C)N(C)C2CC2)CC1 1722449773 ZCZUXVYUVLJMIM-IBGZPJMESA-N 464.614 2.326 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCN(C(=O)OC(C)(C)C)C1CC1 1722467050 KZAPFFVKJDNPTC-KSFYIVLOSA-N 480.635 2.280 30 10 JEEE C=C(Br)Cn1c(-c2cccn2C)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1722483295 ITYHXCRIMRIULR-BEFAXECRSA-N 476.423 2.181 30 10 JEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCC(NC(=O)c2ccccc2)CC1 1722536411 WEKMENGDBRVDJX-UHFFFAOYSA-N 466.586 2.392 30 10 JEEE C=CCn1c(-c2cc(OC)ccc2Br)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1722683459 PLWDVGUQXJKWFF-MRXNPFEDSA-N 475.347 2.375 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1722703753 GREHLVJERVZSGL-SFHVURJKSA-N 469.571 2.450 30 10 JEEE C=CCOc1ccc(Cn2c(-c3ccc[nH]3)nnc2N2CCC(NS(C)(=O)=O)CC2)cc1 1722706706 WWNFETUUBXXPKV-UHFFFAOYSA-N 456.572 2.404 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](C)[C@H]1C 1722726889 CSBGSZDXZVJKBH-KSZLIROESA-N 483.635 2.422 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N(C)CC(=O)NC(C)(C)C 1722728906 CLFAGCPJRKFTNB-UHFFFAOYSA-N 469.558 2.099 30 10 JEEE CC[C@@H](C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@H]1CCCS(=O)(=O)C1 1727002587 GDLXBEHFHIUAJX-MJGOQNOKSA-N 457.604 2.210 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1CCCN(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1740619184 GKXXKALZAIPLRE-FQEVSTJZSA-N 487.626 2.073 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@]1(C)CCCO1)[C@H]1CCS(=O)(=O)C1 1740628957 XECXSJDUICSITQ-RTXPOLOASA-N 464.632 2.393 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2Cc2csc(COC)n2)CC1 1740692917 OXQLQJCDOSPAEG-UHFFFAOYSA-N 468.583 2.369 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CCNC(=O)c2ccc(C)cc2)CC1 1740701943 GCABKGYOUMRGTQ-UHFFFAOYSA-N 450.587 2.280 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](C)N2CCC[C@@H](C)C2)CC1 1740705113 CFCIOPKDRCQDJX-RZUBCFFCSA-N 456.635 2.258 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OCC)n2Cc2cnn(C)c2C)CC1 1740707689 MEKBOQBVEOWTKW-UHFFFAOYSA-N 491.596 2.312 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCOCCN(C)C 1740731458 BTBWAMUXRLBIGM-NTKDMRAZSA-N 476.622 2.157 30 10 JEEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2ccnc(C)n2)CC1 1740799535 ONJMTZKDDXVCOG-FPOVZHCZSA-N 457.579 2.020 30 10 JEEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1740858676 XHTJJAHHKYHARZ-IRXDYDNUSA-N 454.641 2.376 30 10 JEEE C=CCSCCn1c(-c2noc3c2COCC3)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1741001208 NYQYQZPEHYFZJU-CALCHBBNSA-N 462.620 2.470 30 10 JEEE C=CCSCCn1c(N2CCO[C@@](C)(c3cnn(C)c3)C2)nnc1[C@@]1(OCC)CCOC1 1741004787 MHJFPOWPUJNMHJ-FGZHOGPDSA-N 462.620 2.335 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCOc1ccc(Cl)cn1 1741674243 ACEARPOGHGARRS-UHFFFAOYSA-N 495.975 2.137 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(CN(CC)CC)cc2)CC1 1749009302 HNLRUPYCSMSKGF-HSZRJFAPSA-N 491.640 2.085 30 10 JEEE C=C(C)COCCn1c(COc2ccc(OC)cc2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1749238693 ARSCDUDKCZCQHH-HSZRJFAPSA-N 457.531 2.489 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN2C(=O)CC[C@H]2C1 1749651414 VEJFELQXTNJKLQ-OALUTQOASA-N 452.559 2.148 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCN2CCN(C(C)=O)CC2)C1 1749693293 HWZNUGDPXWZCIS-HSZRJFAPSA-N 495.628 2.093 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2c[nH]c3ccccc23)nnc1N1CCN(CC(F)F)CC1 1749730595 JYIGUBGJFVIJHP-UHFFFAOYSA-N 464.542 2.414 30 10 JEEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2CCN(CCN(C)C)CC2)C[C@H]1C 1749877946 BZGPQFATBBTRTR-JOCHJYFZSA-N 494.688 2.247 30 10 JEEE CC(C)NS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@](C)(C#N)C1 1751005650 HHKFKVVQKUXING-OAQYLSRUSA-N 464.567 2.454 30 10 JEEE Cc1nn(C)c(N2CCN(c3nnc(-c4ccc[nH]4)n3C[C@H](CC(C)C)N(C)C)CC2)c1C#N 1751827360 CFKIAHNNMZEZDM-IBGZPJMESA-N 464.622 2.490 30 10 JEEE Cc1cc(C)n(Cc2nnc(N(C)C[C@@H](C)C#N)n2Cc2ccccc2S(=O)(=O)N(C)C)n1 1751837717 DDKWLYRPASRAQD-INIZCTEOSA-N 470.603 2.034 30 10 JEEE C#CCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H](N1CCOCC1)C(F)(F)F 1760176147 ZRUSZXBNUQAKGJ-ROUUACIJSA-N 451.449 2.123 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCNC(=O)C1CCC1 1760211135 BWTODOGFEXTVGO-UHFFFAOYSA-N 495.653 2.316 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1760294938 JXDGBVIDCKFGHC-ISJRUSPKSA-N 463.648 2.060 30 10 JEEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC1CN(C(=O)OCc2ccccc2)C1 1760346124 JAUDRQQOOZQHNR-FQEVSTJZSA-N 473.599 2.461 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCCCO2)n1C[C@]1(O)CCS(=O)(=O)C1 1760499219 ROOKFBYKWPWBGN-NZQKXSOJSA-N 460.600 2.304 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CC[C@H](S(C)(=O)=O)C1 1760517299 ITGYKAQHPIRCKC-HOCLYGCPSA-N 463.629 2.057 30 10 JEEE C=CCOc1ccc(Cn2c(CNC(=O)c3cccs3)nnc2N2CCN(C(=O)NC)CC2)cc1 1760531571 STZJNIDOJHGYQB-UHFFFAOYSA-N 495.609 2.344 30 10 JEEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H](C)[C@@H](C)C1 1760557774 WCYHAONCXJJDNV-CVEARBPZSA-N 451.618 2.353 30 10 JEEE CCNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nnc(CC)s2)CC1 1767228686 HZXGEYUEDIGKLT-UHFFFAOYSA-N 451.560 2.130 30 10 JEEE CCOC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC(F)(F)F)C1 1767303646 BPUCLQSIIWQUDR-MRXNPFEDSA-N 479.463 2.210 30 10 JEEE COC[C@@H]1CCCCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCCS2(=O)=O)C1 1769397680 AEAOGGCLEYGBME-LJQANCHMSA-N 458.588 2.105 30 10 JEEE COC(=O)c1ccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCCN2CCOCC2)cc1 1862592650 HQWXDGTWXBSHQH-JOCHJYFZSA-N 480.517 2.479 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(O)c(O)c2)cc1 1862688929 DWJIEUDBOCDZCU-QFIPXVFZSA-N 468.506 2.407 30 10 JEEE N#Cc1nnn(Cc2cc([N+](=O)[O-])cc3c2OCOC3)c1NC(=O)c1ccc(/C=C/C(=O)O)cc1 1870111974 KINSLRSJIWIAHS-ZZXKWVIFSA-N 476.405 2.323 30 10 JEEE C=CCn1cc(OCC(=O)Nc2nc(C)c(C(=O)OCC(C)C)s2)c(=O)cc1CN(C)CCO 1870325465 ZTQKWFPGPGFTAO-UHFFFAOYSA-N 492.598 2.054 30 10 JEEE CCCCCCCCCCn1cc(OCC(=O)NCCCO)c(=O)cc1CN(C)CCO 1870359500 WKTBXXQIZGKLKS-UHFFFAOYSA-N 453.624 2.291 30 10 JEEE COc1ccc(Cc2nnc(SCC(N)=O)n2/N=C/c2ccccc2C(=O)O)cc1OC 1874237878 LQIOYXYMKYMHSQ-FOKLQQMPSA-N 455.496 2.044 30 10 JEEE C=C(CN(C)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc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c2cccc(B3OC(C)(C)C(C)(C)O3)n2)CCS1(=O)=O 2255340269 AKMLAYFWWTYZJO-CQSZACIVSA-N 454.354 2.099 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]1NS(=O)(=O)Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2255794227 IZPLLKLUGFCQKA-IRXDYDNUSA-N 452.382 2.071 30 10 JEEE CC(C)(C)OC(=O)N[C@H](C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1)[C@H]1CCOC1 2256677107 ADKSTUJTZZGZHH-JSGCOSHPSA-N 453.370 2.311 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)c2occc2B2OC(C)(C)C(C)(C)O2)CCCO1 2267484725 CIYJFJFXJSQZLM-OAHLLOKOSA-N 450.341 2.335 30 10 JEEE Cc1nc(NC(=O)[C@H]2C[C@H](F)CN2C(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2268641021 KYSVUIMPOKJASF-DZGCQCFKSA-N 450.320 2.370 30 10 JEEE COc1ccc(CNC(=O)[C@@H](C)ONC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2278703057 ZWUBCEQLMMMDOJ-CQSZACIVSA-N 450.341 2.455 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@H]1C[C@@H]2NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2282018477 XKTXWCGZOSKVGE-YQFWSFKMSA-N 458.368 2.197 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2CN(Cc3ccccc3)C[C@@]2(C)C1 2282051445 UEIUDMJWZLFIEC-DFBJGRDBSA-N 450.392 2.313 30 10 JEEE CCc1nn(C)c(C(=O)N2CC3(CN(Cc4ccccc4)C3)C2)c1B1OC(C)(C)C(C)(C)O1 2282061380 KHFFZPXOLYINSB-UHFFFAOYSA-N 450.392 2.240 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 2282523901 FEXJAMOUHSTGIM-VWLOTQADSA-N 450.392 2.458 30 10 JEEE CCn1cc(C(=O)N[C@@]23CCN(C(=O)OC(C)(C)C)C[C@@H]2C3)nc1B1OC(C)(C)C(C)(C)O1 2282541412 XMMKZNFMKGSDTR-NPMXOYFQSA-N 460.384 2.332 30 10 JEEE CN(C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282552097 HRLVRGAXVGXYFI-MRXNPFEDSA-N 462.400 2.438 30 10 JEEE CCc1nn(C)c(C(=O)N2C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]2C)c1B1OC(C)(C)C(C)(C)O1 2282560763 WNFJUHXXPMKHII-GJZGRUSLSA-N 462.400 2.409 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2CC[C@@]2(C)CCOCc2ccccc2)n1 2282833713 JJQMDFNNQORKNK-QHCPKHFHSA-N 475.420 2.479 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CC1(C)C 2283072041 LTMPMTPVBVGQBB-HNNXBMFYSA-N 460.384 2.399 30 10 JEEE C[C@@H](C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1)N1CCN(C(=O)OC(C)(C)C)CC1 2283959296 KQTOOHJFJZHKJA-INIZCTEOSA-N 460.384 2.261 30 10 JEEE C[C@H](NC(=O)[C@H]1C[C@H](O)CCN1C(=O)OC(C)(C)C)c1nscc1B1OC(C)(C)C(C)(C)O1 2283974654 VQWUNYKKOJRICW-SQWLQELKSA-N 481.424 2.380 30 10 JEEE C[C@H](C#CC(=O)NC[C@]1(O)C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C 2318679414 HIRSTIBQLARUFD-JGDUNROCSA-N 451.564 2.312 30 10 JEEE CCCNC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1N=Cc1ccccc1C(=O)O 2329011951 YIYLNXPOWPZWRP-MRXNPFEDSA-N 472.571 2.201 30 10 JEEE COc1nc(OC[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)ccc1B1OC(C)(C)C(C)(C)O1 2339826480 UIGFDIZJCXKRFN-HNNXBMFYSA-N 450.341 2.404 30 10 JEEE CO[C@@H](CNC(=O)OC(C)(C)C)CNC(=O)c1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2339882369 XPUAWTYJHKMVQW-OAHLLOKOSA-N 452.332 2.394 30 10 JEEE CC(C)(C)OC(=O)N1CC(F)(F)[C@](C)(NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2361545797 VBTVFNXLUDMOSL-HXUWFJFHSA-N 468.310 2.150 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@H]2C[C@](C(=O)O)(N3CCN(Cc4ccccc4)[C@H](C#N)C3)C[C@H]21 2373495578 MSAJZBNFNRRADQ-QTDDQOEGSA-N 470.570 2.318 30 10 JEEE COC(=O)c1ccccc1NC(=O)CSc1n[nH]c(N/N=C/c2cc(OC)ccc2O)n1 21075617 IQHFZUBAODYMFU-UFFVCSGVSA-N 456.484 2.482 30 10 JEEE COC(=O)c1ccn(CSc2nncn2N=Cc2ccc(OC)c(Cn3cccn3)c2)n1 22533361 RGJNDUPOVHVVCT-UHFFFAOYSA-N 452.500 2.147 30 10 JEEE CC(C)[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)c1nc(C2CC2)no1 514333453 NTWWPBSNFWNDAX-GOSISDBHSA-N 458.544 2.232 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)NS(=O)(=O)c3cc(C(=O)OC)cc(C(F)(F)F)c3)cc2C1=O 727234301 LCCXTYSSTKCIRI-UHFFFAOYSA-N 496.419 2.393 30 10 JEEE CC(C)CC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CCc1ccccn1 729668597 AHCXUCMJIIKTHO-UHFFFAOYSA-N 457.559 2.313 30 10 JEEE C=CCn1c(S)nnc1Cc1csc(NC(=O)[C@H]2CCN(C)C[C@H]2c2cnn(C)c2)n1 849491982 BKEKDIVVXMPCIY-HOTGVXAUSA-N 458.617 2.208 30 10 JEEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@H](Oc3ccnc(CN(C)CC)c3)C2)cc1 856643226 WHLYGXBJZANYIP-NRFANRHFSA-N 458.584 2.291 30 10 JEEE CN1CCN(S(=O)(=O)c2ccc(NN=C3CCN(CCc4ccccc4)CC3)nc2)CC1 915949128 BNSOOUQLZYNCNH-UHFFFAOYSA-N 456.616 2.124 30 10 JEEE COc1ccc(C=NNc2nnc(SCC(=O)Nc3ccc(C(C)=O)cc3)n2N)cc1O 1083906118 KDDPMHKNLMFTDO-UHFFFAOYSA-N 455.500 2.086 30 10 JEEE C#CCN(C(=O)CSc1nnc(-c2ccco2)n1-c1ccccc1)[C@H]1CCS(=O)(=O)C1 1125954130 PNMUXYPBZGNPBA-KRWDZBQOSA-N 456.549 2.268 30 10 JEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)CC(=O)N1CCC[C@H](C(=O)OCC)C1 1142904892 OKTRXYPVRSMTPF-HOTGVXAUSA-N 459.971 2.282 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CC1(OCCOC)CCOCC1 1286289379 LBNQTAWFAGYCDG-QGZVFWFLSA-N 466.542 2.264 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1cc(COC(C)(C)C)on1)[C@H]1CCS(=O)(=O)C1 1286391804 GKZBQFLWLHWEEM-MJGOQNOKSA-N 491.614 2.150 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(F)ccc1SC 1286467283 OLECLUFIOGXQJH-OAHLLOKOSA-N 452.577 2.176 30 10 JEEE C#CCN1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@H](C)N2CCOCC2)CC1 1286484454 OHSQZDVSHVYXNE-NRFANRHFSA-N 454.644 2.355 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccccc1Cl 1286523518 XXBHSQMIDDRBFB-SIKLNZKXSA-N 478.018 2.499 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2ccc(C)cc2)CC1 1286608228 NSYQFBZIJPFCLY-NRFANRHFSA-N 487.626 2.044 30 10 JEEE C=CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1286833143 WAWPPEKXKDFOGX-IBGZPJMESA-N 462.664 2.272 30 10 JEEE CCN1CCN(C[C@@H](C)Cn2c(-c3cnn(C)c3)nnc2N(C)Cc2cccc(C#N)c2)CC1 1296192285 DXVAKKLFVBSTQV-HXUWFJFHSA-N 461.618 2.460 30 10 JEEE CNC(=O)CCCN(C)c1nnc(-c2cccc(C#N)c2)n1CCCN1CCCO[C@H](C)C1 1299185874 CCKYGHXGQPAEFF-LJQANCHMSA-N 453.591 2.280 30 10 JEEE C#CCCCn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1300417221 QCEGXJRAXBYUJI-INIZCTEOSA-N 459.476 2.435 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Cl)n1CCCNC(=O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1300488014 NWRWFEFBHTXIKF-QGZVFWFLSA-N 478.018 2.388 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CC1(N(C)C)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1300489153 JPQROTXFQBXYGK-HXUWFJFHSA-N 492.045 2.336 30 10 JEEE C#CCN(c1nnc(CSc2ccccc2OC)n1C[C@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1300505134 XYVCVOBSMXSBSR-ZWKOTPCHSA-N 477.656 2.156 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](c2ccco2)N(CC)CC)CC1 1300682450 MOOPFXUOPFNYGB-FQEVSTJZSA-N 476.585 2.357 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H](C)c2c(C)noc2C)CC1 1300707539 GGFFHSSXWIAADB-INIZCTEOSA-N 467.599 2.433 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@H]2COCCO2)CC1 1300719198 RECZOPZGWSINNN-NRFANRHFSA-N 497.596 2.122 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CC[S@@](=O)CC)CC1 1300730578 BAPFSEWQSWXTPT-XIFFEERXSA-N 471.627 2.208 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCOC[C@@H]1OC 1300789188 BCHKIGYYIXBQIE-QMHWCDLVSA-N 458.584 2.392 30 10 JEEE C=C(C)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCC(OCC(N)=O)CC1 1300946223 RHPVHEBTOHKFCV-UHFFFAOYSA-N 465.558 2.283 30 10 JEEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1301188637 LTLLHRZNAQHYKX-MRXNPFEDSA-N 463.564 2.483 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCOC[C@@H]1C 1301411290 XFCFQHWKPYGGAP-ZVDOUQERSA-N 493.630 2.112 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1301514504 JXIMMDOAYFFWCK-YOEHRIQHSA-N 469.464 2.324 30 10 JEEE C=CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1301601956 KIVZEKDVNHRWFE-UHFFFAOYSA-N 484.626 2.144 30 10 JEEE CC(C)CN1CCO[C@@H](Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC(C#N)CC2)C1 1303200891 GWVNMPLODPIQFG-LJQANCHMSA-N 452.563 2.022 30 10 JEEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CCN2[C@@H](C)CC[C@@H]2C)CC1 1313550265 HIPAIZLLRHRHAY-SFTDATJTSA-N 478.645 2.290 30 10 JEEE CNC(=O)[C@@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(C(=O)N(C)C)CCCC2)C1 1314960285 AIYWEVDMNKQTOS-DEOSSOPVSA-N 463.586 2.428 30 10 JEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C2CC2)C1 1358929582 CYCOIMGTIPANJP-GBESFXJTSA-N 477.631 2.333 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1CCOC(C)C)[C@H]1CCS(=O)(=O)C1 1358958511 PSARCWUFNLWKNR-SFHVURJKSA-N 462.572 2.014 30 10 JEEE C#CCN(c1nnc(-c2ccc(Br)cc2)n1C[C@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1358958787 WAIHERAQGPOUDL-YLJYHZDGSA-N 481.416 2.495 30 10 JEEE C#CCN(c1nnc(-c2ccccc2F)n1CC1(C(=O)N(C)C)CCCC1)[C@@H]1CCS(=O)(=O)C1 1358960106 XHJVQTAGLWLZJV-GOSISDBHSA-N 487.601 2.360 30 10 JEEE C#CCN(c1nnc(CC)n1CCc1ccc(OC)c(Br)c1)[C@H]1CCS(=O)(=O)C1 1358963556 KECSKMMVUOZCGS-INIZCTEOSA-N 481.416 2.481 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@H](c1ccccc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1358965046 MXWJVVSETNXKDC-DHIUTWEWSA-N 478.622 2.194 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@@H]1CCC[C@H](O)C1)[C@@H]1CCS(=O)(=O)C1 1358968016 XRFAKTAMUVGXEK-NJYVYQBISA-N 472.611 2.343 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(S(C)(=O)=O)CCC1 1359066264 UKXQZALHISGTMO-OAQYLSRUSA-N 476.624 2.308 30 10 JEEE C=C1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCCN2CCOCC2)CC1 1359165518 QSBPHZDVOKTVCO-FQEVSTJZSA-N 476.622 2.465 30 10 JEEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 1359207989 CGFGZGUAOLAIRM-MSOLQXFVSA-N 475.619 2.413 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1359291906 DSPJFWPBBZOGPJ-HOYKHHGWSA-N 472.565 2.160 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCS[C@H](C)C2)cc1 1359308791 ZCINLGGCDACJFW-XLIONFOSSA-N 493.655 2.166 30 10 JEEE C=CCn1c(S)nnc1-c1sc(NC(=O)[C@@H]2CN(C(=O)C(C)(C)C)CCO2)nc1C 1464911907 ZRSIKEVCGKBKIZ-LBPRGKRZSA-N 450.590 2.397 30 10 JEEE Cc1nc(C#N)c(N2CCN(C(=O)CN[C@H]3CCN(Cc4ccccc4)CC3(C)C)CC2)o1 1473415740 AOLXUMYAPDPUNG-QFIPXVFZSA-N 450.587 2.394 30 10 JEEE CC[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCS(=O)(=O)CC2)C1 1499508031 HNLQUANBOQXUSG-GOSISDBHSA-N 473.599 2.295 30 10 JEEE COCCN(C)S(=O)(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cc(C)no2)C1 1504859559 CGAMBPHYWASLNH-OAQYLSRUSA-N 499.597 2.038 30 10 JEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1507576540 MMQQVSGKXCPNHQ-AZUAARDMSA-N 456.616 2.282 30 10 JEEE C#CCN(CC#CC)c1nnc(Cc2ccccc2OC)n1Cc1ccc(-n2cncn2)nc1 1507670379 JRMRBUAHUCXKFQ-UHFFFAOYSA-N 452.522 2.364 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc(Cl)cc3)n2C[C@H]2COCCO2)n1 1507717194 QKBWCFODEYWFFD-NRFANRHFSA-N 470.961 2.497 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)s3)n2CCCNC(C)=O)CC1 1507721492 UDFBFMZZZVZHGK-UHFFFAOYSA-N 451.394 2.051 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCNC(=O)[C@@H](C)CCC)CC1 1507737969 DXZAXHJLGRAOPU-ICSRJNTNSA-N 458.607 2.038 30 10 JEEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1507751234 FTFWDWUUYSGQOH-KDURUIRLSA-N 495.653 2.104 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1507799022 UXNLZLKWCNDEJK-UGKGYDQZSA-N 483.573 2.045 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccc2F)nnc1N1CCN(S(C)(=O)=O)CC1 1507803854 JGKOMOPOBYMBQF-RXVVDRJESA-N 463.579 2.071 30 10 JEEE C=C(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C)[C@H](OC)C1)c1ccccc1 1507850769 BAUBSTIODCMWQG-UIFIKXQLSA-N 475.615 2.186 30 10 JEEE C=CCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1507960263 XAERWPBHIJJPDF-OAQYLSRUSA-N 470.599 2.414 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2ccc(Cl)s2)C1 1508140072 GGGVUGHDPIFVLM-KBPBESRZSA-N 486.019 2.123 30 10 JEEE CC(C)(C)n1ncnc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1508621379 APDRGYJKXKFTQF-SFHVURJKSA-N 468.587 2.225 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1C[C@@]1(OC)CCOC1)[C@H]1CCS(=O)(=O)C1 1539210780 DNZHJVCHLVTBKU-RXVVDRJESA-N 464.975 2.031 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@H](OC)c1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 1539216284 PXVRLVPSWKCFHP-UXHICEINSA-N 489.001 2.346 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2Cc2ncnn2C(C)(C)C)CC1 1539473951 GATLXMDULXOLJW-UHFFFAOYSA-N 476.585 2.314 30 10 JEEE C=CCC(C)(C)Cn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1539921292 USGOINYJRNDGSW-UHFFFAOYSA-N 463.590 2.115 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(Cl)cc2)nnc1N1CCC2(CC1)COC(=O)N2 1540908704 LYKHZBAHULNTDH-UHFFFAOYSA-N 495.989 2.190 30 10 JEEE C[C@H](C#N)CN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCOc1ncccc1F 1541111646 AGHXYTMYZBIQGY-OAHLLOKOSA-N 462.489 2.401 30 10 JEEE C[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1)N(C)C 1541848006 CRRVEAWSLAJVBZ-YJBOKZPZSA-N 456.982 2.031 30 10 JEEE CC[C@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CC1CCN(C(C)=O)CC1 1545545922 HCXSAXGDUFPGEK-ROUUACIJSA-N 465.606 2.427 30 10 JEEE CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)CC2CC2)C1 1547220344 HYUTUYWAJNRLBJ-OAQYLSRUSA-N 484.626 2.384 30 10 JEEE CCOc1ccc(CCn2c(C(=O)N3CCCC3)nnc2N2CCO[C@H](C#N)C2)cc1OCC 1547959878 GGYJDSXXSYFNIQ-LJQANCHMSA-N 468.558 2.283 30 10 JEEE COC(=O)[C@H]1C[C@@H](O)CN(C(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)C1 1557360878 ANTPUMKJGCYRPX-FUHWJXTLSA-N 453.520 2.285 30 10 JEEE C#CCN1CCC[C@@H](NC(=O)[C@@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc(C)cc2)C1 1558329196 MLTCCJPTPUFUSD-VWNXMTODSA-N 451.592 2.324 30 10 JEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(-c4nnco4)cc3)CC2)cc1 1568610146 HYJWYSZXPVWAKI-UHFFFAOYSA-N 451.508 2.325 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1CCC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1588034688 KMNZXYBULROARZ-INIZCTEOSA-N 468.526 2.334 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@@H](SC)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1588035842 YGWFTAUAZGPDQA-HMFYCAOWSA-N 484.688 2.335 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1Cc1cnn(CC(C)C)c1C)[C@H]1CCS(=O)(=O)C1 1588045646 NTLHNTZMHZUCPC-FQEVSTJZSA-N 469.615 2.120 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@]2(C)CN(C)C2=O)n1 1588723051 JAOWZLUXHJBZIN-IPVFLDMMSA-N 497.644 2.158 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CC2(C(N)=O)CCCC2)CC1 1588790778 BRCCYUQMXHKYJV-UHFFFAOYSA-N 466.586 2.153 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@H]2COc3ccccc32)CC1 1588890566 CBNXNNBZJCIIPU-AZUAARDMSA-N 467.570 2.144 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCOc2c(C)cccc2C)CC1 1588923599 GEWKBXQDNMISNF-UHFFFAOYSA-N 461.570 2.340 30 10 JEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCOC2(CCCCCC2)C1 1588984519 IEJCSKZMKBNHTK-KRWDZBQOSA-N 455.650 2.184 30 10 JEEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H](OC)C(C)(C)C1 1589008610 XPXZMAWILPMRQP-LJQANCHMSA-N 477.656 2.423 30 10 JEEE C=C(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1589700926 FQFAXZLNIYKKEB-UHFFFAOYSA-N 468.949 2.024 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(NC(C)C)CC1 1594497539 IYDVUVKGILQCAV-IBGZPJMESA-N 468.668 2.180 30 10 JEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCCC[C@@H]1CC)C1CC1 1595058968 YNWDFTQVAJJVCU-AZUAARDMSA-N 466.652 2.030 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 1595784337 DNTNVLRBHSBZLP-UHFFFAOYSA-N 454.512 2.412 30 10 JEEE C=CCN(C)C(=O)C[C@@H]1c2nc(NC(=O)COC)sc2C[C@H]2[C@]1(C)CC[C@H](O)[C@@]2(C)CO 1616126793 CWTWWHMAILKWDV-IATNUCJSSA-N 465.616 2.178 30 10 JEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC(C)(NC(=O)OC(C)(C)C)CC1 1616450645 FWCGZFOSWJMIOT-HNNXBMFYSA-N 450.561 2.131 30 10 JEEE N#Cc1ccc(OCc2cccc(C(=O)N3CCN(S(=O)(=O)c4cc[nH]n4)CC3)c2)cc1 1625147637 HQVMOZXTVWPMOH-UHFFFAOYSA-N 451.508 2.007 30 10 JEEE C#CCNS(=O)(=O)c1cccc(C(=O)N(Cc2ccc(O)cc2)C[C@@H]2CCCN2CC)c1 1632014212 LSAUAXYRGXHPIZ-NRFANRHFSA-N 455.580 2.430 30 10 JEEE COC(=O)C1(C#N)CCN(C(=O)Nc2cc(S(=O)(=O)NC(C)(C)C)ccc2OC)CC1 1667344745 CTLWTLPJJZCCSF-UHFFFAOYSA-N 452.533 2.083 30 10 JEEE Cc1nn(C)c(N2CCN(C(=O)NCc3cccc(NC(=O)c4ccccn4)c3)CC2)c1C#N 1677407889 GKNYVNKSGOCRMQ-UHFFFAOYSA-N 458.526 2.279 30 10 JEEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](CC(C)C)c2cc(Cl)ccc2OC)CC1 1679460942 KJTUVLUBMWRGQZ-SFHVURJKSA-N 456.996 2.231 30 10 JEEE C#CCN(c1nnc(CC2CCCC2)n1CC(=O)N(C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1689994224 UJHTXDMNNDCLKC-QFIPXVFZSA-N 483.638 2.296 30 10 JEEE C#CCN(c1nnc(CSc2ccc(Cl)cc2)n1CCOC)[C@H]1CCS(=O)(=O)C1 1689998496 NQTNXSNEXQREAA-INIZCTEOSA-N 455.005 2.497 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1690006274 MDBPQABQNWJKAK-TZIWHRDSSA-N 482.566 2.130 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H](C)c2nccs2)CC1 1690137880 KTAPMPDQSZYKHE-UZUQRXQVSA-N 472.615 2.156 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@]2(O)CCC[C@@H]2C)CC1 1690148636 NRIFPOOSNAIAKF-SIBVEZHUSA-N 465.598 2.394 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1690229007 LDQKDXMDKWMNOQ-CQSZACIVSA-N 460.332 2.423 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CCc2ccccc2)nnc1N1CCN(C(=O)COC)CC1 1690251670 XSJMITCJSQUBCI-URXFXBBRSA-N 453.587 2.340 30 10 JEEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(Cc2cc(C)on2)CC1 1690319530 PXMSMKOHLJFCFG-UHFFFAOYSA-N 454.579 2.351 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cnccc1OC 1690565430 JOJRTAGPHZGLJS-JOCHJYFZSA-N 498.609 2.256 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3nn(C(C)C)c(=O)c4ccccc34)n2CC(=O)N(C)CC)C1 1690697038 NPUHEZABCUHCFS-SFHVURJKSA-N 479.585 2.496 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCO[C@@H](COC)C1 1690723411 QLLYPYSSBZPACM-GOSISDBHSA-N 473.555 2.053 30 10 JEEE CCCNC(=O)CCn1c(-c2ccccc2F)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1695426180 AXDBIDJUFCCUDK-QGZVFWFLSA-N 477.548 2.377 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCOC2)n1CC1(C(N)=O)CCCC1 1698048998 FLCXILLQEGWIBY-FQEVSTJZSA-N 452.559 2.352 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCCN2CC)c1 1705506580 BPZXJHPUNVBLKS-IRLDBZIGSA-N 498.653 2.111 30 10 JEEE C#CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1705533654 YWAWXQFGHKVKOE-RBUKOAKNSA-N 499.616 2.279 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1Cc1nc(C)cs1)[C@H]1CCS(=O)(=O)C1 1705563317 VBCQVNTVFCWICJ-INIZCTEOSA-N 487.607 2.402 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@H](C)CN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1705565961 KYIPVDXKJHXBTI-FPOVZHCZSA-N 470.643 2.397 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1cccc(C(=O)NCCC)c1)[C@@H]1CCS(=O)(=O)C1 1705566641 PETPNIUUQQPVDH-FGZHOGPDSA-N 499.637 2.335 30 10 JEEE C#CCN(c1nnc(COCC)n1CC1(c2ccccc2C)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1705568594 QZSKXQYSZMWWPJ-OAQYLSRUSA-N 486.638 2.498 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccc(Cl)cc2Cl)n1CCC[C@@H]1NC(=O)NC1=O 1705586058 SUTTWLJBDFDRQJ-INIZCTEOSA-N 475.336 2.225 30 10 JEEE C#CCN(CC#CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H]1COCCO1 1705598379 IFLZGKCCJXQJCS-FQEVSTJZSA-N 457.575 2.271 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(=O)N[C@H](C)CCC)C1 1705662169 RVRWDUGTIZJDGK-CEXWTWQISA-N 481.688 2.068 30 10 JEEE C=C(C)COCCn1c(-c2cccc3cccnc23)nnc1N1CCO[C@H](CNC(C)=O)C1 1705732725 IALFPWBMPBZNES-HXUWFJFHSA-N 450.543 2.427 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@H](C)O[C@@H](CC)C1 1705894891 NPKMVYWXHJREAI-YJBOKZPZSA-N 460.966 2.167 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1705897522 NORAYURQIYXIPI-QGZVFWFLSA-N 487.580 2.490 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@@H](C)[C@H](OC)C1 1705931306 MACADJVAJHTVRW-OXQOHEQNSA-N 464.588 2.424 30 10 JEEE COC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC2CCOCC2)CC1)OC 1712152218 AUAXDWYWITXBQD-JOCHJYFZSA-N 454.575 2.027 30 10 JEEE N#C[C@@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC2CCN(CC(F)(F)F)CC2)C1 1712875738 GYPUDJNDNOMCIC-LPHOPBHVSA-N 492.543 2.287 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@]1(O)CCSC1 1722390182 OYIYJQRYZQUUPY-JOCHJYFZSA-N 457.987 2.192 30 10 JEEE C#CCN(CCOC)c1nnc(Cc2ccccc2C)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1722427413 USNOUAOJOILMSO-GOTSBHOMSA-N 485.654 2.468 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](c2cccnc2)C(C)C)CC1 1722441436 QEQVLQPCLJDNQA-QFIPXVFZSA-N 477.613 2.315 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(OCC(F)(F)F)nc2)CC1 1722441465 QRBVEBLUPKTVTH-ICSRJNTNSA-N 494.518 2.142 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CCC(=O)Nc2ccccc2)CC1 1722449396 QYOOLSNBQVQTHA-UHFFFAOYSA-N 471.565 2.259 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)c2ccccc2)CC1 1722452882 LSHPQOITTDGUOG-UHFFFAOYSA-N 475.578 2.254 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccnc(OCC(F)(F)F)c2)C1 1722715521 TVWCCBVDSIEYGK-HZPDHXFCSA-N 466.464 2.395 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCCNC(=O)OC(C)(C)C)C1 1722718909 OOZSCKGTLULCGN-ZWKOTPCHSA-N 483.635 2.266 30 10 JEEE CC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C(C)C)N2CCOCC2)C1 1722813199 BKLNNJMWNYLCAO-PKTZIBPZSA-N 465.602 2.278 30 10 JEEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCOc1ncccc1F 1740612987 OZYOGGNAGPBFOA-UHFFFAOYSA-N 463.561 2.325 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@@H]1CCOC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1740625820 QINBLEMGRQSCQR-BAGYTPMASA-N 456.612 2.477 30 10 JEEE C=CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1740894672 CMXMBGVWZOPEMW-GOSISDBHSA-N 477.495 2.196 30 10 JEEE C=CCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1740943855 BWHUWFODENDASU-CQSZACIVSA-N 471.425 2.340 30 10 JEEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC(OCc2ccccc2F)CC1 1740963386 JKROGDYBGVGVNY-UHFFFAOYSA-N 470.549 2.027 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](OCCOC)C1 1740966157 WGIVBTXWLDSOAN-OALUTQOASA-N 492.621 2.284 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1740987993 QMFKILJEJGRCIP-KRWDZBQOSA-N 450.561 2.222 30 10 JEEE CC(C)(C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1741207787 GSTMRBTYVNCCTG-NRFANRHFSA-N 465.602 2.423 30 10 JEEE CCc1cnc(CN(C)c2nnc(COc3ccc(C#N)cc3)n2CCS(C)(=O)=O)s1 1744420548 GEPGNVQDVASJJD-UHFFFAOYSA-N 460.585 2.429 30 10 JEEE CN(C)C(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C2CCOCC2)C1 1747538098 FOEZAFVKQJEMMQ-HXUWFJFHSA-N 452.559 2.460 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccsc3)n2C[C@]2(C)CN(C)C2=O)c1 1748694717 MEGCUOLXZCCVCS-DEOSSOPVSA-N 462.579 2.465 30 10 JEEE C#CCCCCn1c(N2CCN(c3nccnc3C#N)C[C@@H]2C)nnc1[C@@]1(OCC)CCOC1 1748731193 WUTGXGZQWVBGIR-YADARESESA-N 464.574 2.110 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1748808251 IYTZIPDAWCLLBT-DOTOQJQBSA-N 467.542 2.123 30 10 JEEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1749039907 FLGTZHSVNPBBQD-PZJWPPBQSA-N 455.628 2.401 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(F)c(F)c1F 1749066593 LHIXISHSANYTJQ-VGOFRKELSA-N 497.543 2.263 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(COC)c1 1749159337 SJMJROVZVWUDEH-FQEVSTJZSA-N 463.604 2.208 30 10 JEEE CO[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCN(C)C(C)(C)C2)C1 1749180768 GAJRVDNRGRSEGO-QFIPXVFZSA-N 467.618 2.370 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1749717900 QJHNEAVBIWTESE-TZIWHRDSSA-N 475.615 2.228 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN2C(=O)CC[C@H]2C1 1749726730 CGCBDISEYOCQEE-INIZCTEOSA-N 479.990 2.019 30 10 JEEE C[C@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1752269200 GGGFNDXHJXRQBU-IPMKNSEASA-N 465.602 2.371 30 10 JEEE C#C[C@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1Cc1cccc(OCC(=O)N(C)C)c1 1760121923 WIYXDCZEGRCJJA-IBGZPJMESA-N 471.565 2.490 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1C[C@H]1CCN(CC(F)(F)F)C1)[C@@H]1CCS(=O)(=O)C1 1760184147 VRQILNWXENWEGM-JKSUJKDBSA-N 461.554 2.087 30 10 JEEE C#CCN(c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@H](F)COC)[C@H]1CCS(=O)(=O)C1 1760188456 LCOAEJDJGXOYDA-ROUUACIJSA-N 473.530 2.211 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCN(CCC)C1 1760212799 FPRQMLAEOWOAGM-NRFANRHFSA-N 482.654 2.390 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H]1CCc2ccccc21 1760235431 MNVZMUAOAFFKQO-CTNGQTDRSA-N 457.600 2.191 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(NC(=O)CCC)cc2)CC1 1760264676 BPQOEUHVLGWCPP-UHFFFAOYSA-N 493.612 2.169 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2CC2([S@@](C)=O)CCC2)CC1 1760268189 NIKCPQMFXKRHSM-MGBGTMOVSA-N 469.611 2.221 30 10 JEEE C#CCSCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(CC(=O)NC(C)C)CC1 1760278988 NSDGZYMETGWBKD-UHFFFAOYSA-N 479.654 2.450 30 10 JEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)CC2CCCCC2)CC1 1760281484 STOGPWAXAHLZNE-LJQANCHMSA-N 458.632 2.215 30 10 JEEE C#CCSCCn1c(N2CC[C@@H](C(=O)OC)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1760286769 VAAMGKLUHIYRPU-ZACQAIPSSA-N 463.604 2.415 30 10 JEEE C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2cnn(CC)c2)C1)c1ccccc1 1760362317 HDPFUPLPQWEYRH-RXVVDRJESA-N 485.614 2.396 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1760516256 ZPNKLOAIAGHCFX-SFHVURJKSA-N 478.557 2.352 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCN(C2CCCC2)CC1 1760556474 FCQRTTMJDXRFFJ-UHFFFAOYSA-N 464.661 2.299 30 10 JEEE C[C@H](CC#N)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1CCN(CCN(C)C)CC1 1761360178 HKDNSDBBCGMNCP-LJQANCHMSA-N 491.644 2.204 30 10 JEEE Cn1ccc(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCN(CC(F)(F)F)CC2)n1 1769025813 AHUROHWEDYEJGZ-UHFFFAOYSA-N 474.491 2.389 30 10 JEEE Nc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(S(N)(=O)=O)cc3)[C@@H]2c2cccc(O)c2)c1 1862554765 KJFANRMGIJTGBP-OAQYLSRUSA-N 479.514 2.400 30 10 JEEE COc1cc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2CCNC(C)=O)cc(OC)c1O 1862742541 FBRNFAOFIDVJNI-LJQANCHMSA-N 485.449 2.032 30 10 JEEE C=CCOc1ccccc1[C@@H]1C(C(=O)N2CCC[C@@H](CO)C2)=C(N)Oc2c1c(CC)nn2C 1865225903 RHXSPEHOBMOPEE-UZLBHIALSA-N 452.555 2.473 30 10 JEEE C[C@H](NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1)C(=O)N1CCN(c2ccccn2)CC1 1868782517 JTUHJCMWNZZBSX-ICSRJNTNSA-N 466.611 2.273 30 10 JEEE O=C(NCCCCN1CCCC1)[C@@H](Cc1ccccc1)N=C1NS(=O)(=O)c2ccccc21 1869932086 SYQVWLOTCXMIGT-OAQYLSRUSA-N 454.596 2.329 30 10 JEEE CC(C)[C@H](C(=O)Nc1c(C#N)nnn1Cc1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O 1870107775 XXZFEDOBLXUOTL-LJQANCHMSA-N 473.449 2.366 30 10 JEEE C=CCn1cc(OCC(=O)Nc2ccccc2OCC)c(=O)cc1CN1CCN(C(C)=O)CC1 1870337616 JAEUDZSDGLEIGP-UHFFFAOYSA-N 468.554 2.115 30 10 JEEE C=CCOc1cn(CCOCCO)c(CNc2ccc(C(=O)NCCN(CC)CC)cc2)cc1=O 1870811815 IFICUNPZOICBGC-UHFFFAOYSA-N 486.613 2.106 30 10 JEEE CC[C@@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@H](C)C[C@@H](C)C(=O)C=C[C@]1(C)O 2058696764 HUKYPYXOBINMND-QIOJRZPJSA-N 469.619 2.308 30 10 JEEE Cn1cc([C@H](NC(=O)OC(C)(C)C)C(=O)N2CC[C@H]3C[C@]3(B3OC(C)(C)C(C)(C)O3)C2)nn1 2194130925 VTCHKDKNQWCQPX-DDVAMESESA-N 461.372 2.466 30 10 JEEE CN(C(=O)OC(C)(C)C)C1CN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2247961312 DFCBOLUMJVIOJU-UHFFFAOYSA-N 458.411 2.287 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@@H](NC(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2255536023 CFMCQKWAOJUQGS-AWEZNQCLSA-N 452.382 2.413 30 10 JEEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)[C@H]2C[C@H]21 2255753827 WLODBRZRPXSIAQ-KGLIPLIRSA-N 470.422 2.430 30 10 JEEE C=C(CS(=O)(=O)Nc1n[nH]c([C@H](C)NC(=O)OC(C)(C)C)n1)B1OC(C)(C)C(C)(C)O1 2255802452 ZDHDMZXVDJVJES-LBPRGKRZSA-N 457.362 2.320 30 10 JEEE Cc1nc(C(=O)NCC2(F)CN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2255803472 ONIOLTCWRAWRSK-UHFFFAOYSA-N 455.361 2.440 30 10 JEEE Cc1cc(C(=O)NC2(CO)CN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2255837790 VOIUKGHXAKKWBN-UHFFFAOYSA-N 452.382 2.067 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@]2(NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2255940607 CFAOLYBXRFOHJC-RNODOKPDSA-N 470.422 2.335 30 10 JEEE C=C(CS(=O)(=O)N1CC[C@@H](OCCNC(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2255955746 SNNAFOIZHGPANI-MRXNPFEDSA-N 460.402 2.119 30 10 JEEE Cc1nc(C(=O)N2CC[C@@H](NC(=O)C(F)(F)F)C[C@@H]2C)c(B2OC(C)(C)C(C)(C)O2)s1 2267165673 IODWQNDGAVEVHL-CMPLNLGQSA-N 461.315 2.422 30 10 JEEE CON(C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1F)C1CN(C(=O)OC(C)(C)C)C1 2267182677 ATXLIKIMPDRSLD-UHFFFAOYSA-N 451.304 2.143 30 10 JEEE CN(CC1(NC(=O)OC(C)(C)C)CC1)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2267464712 JVLKVWCDGMYOIN-UHFFFAOYSA-N 487.453 2.261 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@](F)(CNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2267523370 AKJNCYIZJYELMB-NRFANRHFSA-N 452.336 2.178 30 10 JEEE CC(C)(C)OC(=O)NC1(CNC(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)CCOCC1 2267561959 WNWTYYQXBGMFTO-UHFFFAOYSA-N 450.341 2.383 30 10 JEEE COc1ccc(S(=O)(=O)N(Cc2ccccc2)C2CNC2)cc1B1OC(C)(C)C(C)(C)O1 2267727033 RZEAWHICLGVIAH-UHFFFAOYSA-N 458.389 2.157 30 10 JEEE Cc1c(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281798345 HCTRROQIKPHOSE-GOEBONIOSA-N 462.400 2.403 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H]([S@](C)(=O)=NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2281923509 HIGQXWBKFDAQFC-NQXFHFKASA-N 482.412 2.250 30 10 JEEE C[C@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1)C1CCN(C(=O)OC(C)(C)C)CC1 2281964710 BJDXKEAKJUENSW-HNNXBMFYSA-N 462.400 2.485 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2COCCN(C(=O)OCc3ccccc3)C2)n1 2282047381 XOVHENCMTHYCGE-FQEVSTJZSA-N 495.385 2.457 30 10 JEEE Cn1cc(C(=O)N[C@@H]2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)nc1B1OC(C)(C)C(C)(C)O1 2282059657 LIFAMGRCXRMJQR-MUJYYYPQSA-N 460.384 2.095 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CNS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282300893 LCSSGHOTMIEOEW-DOTOQJQBSA-N 481.424 2.353 30 10 JEEE C[C@@H]1CCN(S(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CCN1C(=O)OC(C)(C)C 2282351642 DBTZMBCWFBLAMI-MRXNPFEDSA-N 481.424 2.401 30 10 JEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2282477198 LZBHOVXSXDPCML-QZTJIDSGSA-N 464.343 2.489 30 10 JEEE CC1(C)OB(c2csnc2C(=O)NC[C@]23CN(Cc4ccccc4)C[C@@H]2CCO3)OC1(C)C 2282508945 DCAICCMIQMLAKR-UUOWRZLLSA-N 469.416 2.463 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H](CNC(=O)OC(C)(C)C)C(C)(C)C2)n1 2282542345 IGFCOBRUBBFBEL-OAHLLOKOSA-N 462.400 2.342 30 10 JEEE Cn1cc(C(=O)N2CC[C@H]3CCN(C(=O)OC(C)(C)C)[C@@H]3C2)nc1B1OC(C)(C)C(C)(C)O1 2282550550 AKSZXXPKCBDOFH-DOTOQJQBSA-N 460.384 2.191 30 10 JEEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@@H](CNC(=O)c1ncc(B3OC(C)(C)C(C)(C)O3)cn1)C2 2282625289 SUPRJCKPKXFLJE-PVAVHDDUSA-N 458.368 2.294 30 10 JEEE Cc1c(B2OC(C)(C)C(C)(C)O2)cccc1C(=O)N[C@@H](C)C1(O)CN(C(=O)OC(C)(C)C)C1 2282693600 NOZXPHSSPOSLHC-INIZCTEOSA-N 460.380 2.394 30 10 JEEE Cc1cc(CN(C)C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)sc1B1OC(C)(C)C(C)(C)O1 2283930888 VCTWRLCAHOCWID-HNNXBMFYSA-N 481.424 2.083 30 10 JEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CC(=O)N[C@@H]2CCC=C2B2OC(C)(C)C(C)(C)O2)C1 2283961318 FZMYNOHURLJLPH-DOTOQJQBSA-N 484.424 2.247 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N1CCC[C@@H](CNC(=O)C(F)(F)F)C1 2285207467 YHUCIGQCFXAFCS-AWEZNQCLSA-N 455.286 2.220 30 10 JEEE Cn1ncc(C(=O)N[C@H]2C[C@@H]3C[C@H](NC(=O)OC(C)(C)C)[C@@H]3C2)c1B1OC(C)(C)C(C)(C)O1 2359263473 SUYCFPJSVISDKB-DLTWYDFYSA-N 460.384 2.141 30 10 JEEE CCn1cc(C(=O)N2C[C@@H]3CC[C@H]2[C@H]3NC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2359277673 LQUMRCSJTJIVBH-XIRDDKMYSA-N 460.384 2.330 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)n1C 2362334788 ZLMZHZIUBITNJG-MRXNPFEDSA-N 462.400 2.499 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2C[C@](F)(CNC(=O)OC(C)(C)C)C2)n1C 2362495482 XMQLIRXZXXCHGD-XLOAEROZSA-N 466.363 2.153 30 10 JEEE CC(C)(C)OC(=O)NCCCC[C@@H](NC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2362576042 CBJUODZNACJMJA-CQSZACIVSA-N 483.396 2.320 30 10 JEEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC(C(=O)NCC#C)CC1 1286335929 FVZQEKIWEVMFLK-UHFFFAOYSA-N 452.584 2.039 30 10 JEEE C#CCCCn1c(N2CCN(c3nc(C)cc(OCC)n3)CC2)nnc1[C@@]1(OCC)CCOC1 1286359708 HUCMPRBTNHWUMS-XMMPIXPASA-N 469.590 2.167 30 10 JEEE C#CCN(CC#CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCNC(=O)C(C)(C)C 1286432546 OEYIVKYYDXDARO-UHFFFAOYSA-N 489.668 2.268 30 10 JEEE C=C(C)COCCn1c(N2CCO[C@@](C)(c3cnn(C)c3)C2)nnc1[C@@]1(OCC)CCOC1 1286614538 VDDNFYRDUIRQNC-DHIUTWEWSA-N 460.579 2.008 30 10 JEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CN(Cc3ccccc3)CCO2)CC1 1286652252 URCZLXSRRVTHST-SIKLNZKXSA-N 488.658 2.192 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)N2CCC[C@@H](C)C2)CC1 1286663690 OZNCRLHMXMNNSM-DYXWJJEUSA-N 480.679 2.134 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2c(c1)CCCN2C 1286758360 LHMYJZUTRUAXNM-JOCHJYFZSA-N 486.642 2.220 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1c(Cl)c(C(F)(F)F)nn1C 1286773802 SLIAKHCKNGMZJI-NSHDSACASA-N 461.876 2.322 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC[C@@H](Nc2cc(OC)cc(OC)c2)C1 1286786388 DGIWQKGJSKWQKE-QGZVFWFLSA-N 478.557 2.135 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1286817461 VQKARLJYRDYOCA-HXUWFJFHSA-N 472.615 2.149 30 10 JEEE C=CCSCCn1c([C@H]2CCOC2)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1286832107 IAEIYUKZECERGI-INIZCTEOSA-N 458.588 2.243 30 10 JEEE C[C@H](CC(=O)NC[C@H](c1c(F)cccc1F)N(C)C)/N=C1/NS(=O)(=O)c2ccccc21 1293620132 BYRVPBWABVYFMU-CXAGYDPISA-N 450.511 2.201 30 10 JEEE C#CCCCCn1c(N2C[C@H](C)[C@@H](N3CCN(C(C)=O)CC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1300375721 BKRFWWYHZZSLGV-KJOQGJGQSA-N 486.661 2.111 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1C[C@@H](c1ccc(C)cc1)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1300497380 YQADPEYZHCXTOA-RPWUZVMVSA-N 499.681 2.485 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)Oc2ccccc2)CC1 1300711842 IWJLMPOZCYLXCS-IBGZPJMESA-N 487.564 2.359 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2cccc(N(C)C)c2)CC1 1300717101 YOUGINDVMZKBQF-MHZLTWQESA-N 494.640 2.399 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2Cc2cnn(C)c2)CC1 1300731754 UDXSAJLTOKZFHW-UHFFFAOYSA-N 461.570 2.222 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2cc(C)no2)CC1 1300875747 QEHABFULOOUVQR-ICSRJNTNSA-N 457.579 2.016 30 10 JEEE C=CCCOCCn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1301257925 GTRXECLOQQKSRE-RBUKOAKNSA-N 457.579 2.162 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1CCC(OC)CC1 1301389872 CNLFOAUPMMRFFB-GOSISDBHSA-N 451.637 2.248 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC(c2cnn(C)c2)CC1 1301483922 YEFYOBDEEBMQKM-UHFFFAOYSA-N 487.406 2.466 30 10 JEEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)[C@H]1C[C@@H](OCC)C1(C)C 1301496695 FONWBANROHRKKU-ZWKOTPCHSA-N 489.646 2.180 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](C)c2ncc(C)s2)C1 1301539842 WSTQVLDXUVJJDP-NUEKZKHPSA-N 454.622 2.238 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCN(c2nccc(OCC)n2)CC1 1301577562 LKVOHLJGVSIVQY-UHFFFAOYSA-N 497.625 2.370 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 1301587287 TUABAMKPNXIFFT-GOSISDBHSA-N 463.648 2.306 30 10 JEEE C=CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](COC)C1 1301612110 VSEBWXZTYXHVNL-ROUUACIJSA-N 483.635 2.357 30 10 JEEE CSC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1302512214 FQPODPJWBSTWIX-OAHLLOKOSA-N 495.650 2.367 30 10 JEEE CC[C@@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1305627179 GMVJJOZRLCQTEZ-DNVCBOLYSA-N 464.530 2.391 30 10 JEEE C#CCCCn1c(COc2ccccc2OC)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1358935018 TVMBUDBALGQMTB-UHFFFAOYSA-N 466.586 2.024 30 10 JEEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1(NC(=O)OC(C)(C)C)COC1 1358946125 JROMXABTYLWYFQ-UHFFFAOYSA-N 493.568 2.038 30 10 JEEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCC(=O)N1CCCCCC1 1358948743 KJHNRKDVMSDWBR-UHFFFAOYSA-N 450.591 2.314 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CC1(C)C)[C@@H]1CCS(=O)(=O)C1 1358966361 NIEUHLGIHBQJNB-RTBURBONSA-N 453.568 2.402 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1CCc2nccn2C1 1359018157 GPEHLIFWGGSITL-LJQANCHMSA-N 481.988 2.407 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCc2ccc(OC)c(F)c2)CC1 1359028297 NSOZYFDAYWTGIP-UHFFFAOYSA-N 456.566 2.342 30 10 JEEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1359086119 KWMSZQSJGYWEHX-INIZCTEOSA-N 481.420 2.370 30 10 JEEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 1359228937 TVGSKQVLDZCZLF-UHFFFAOYSA-N 472.634 2.468 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1359293648 WEIGOQANTBEUCE-UNMCSNQZSA-N 452.603 2.281 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC(O)(Cc2ccc(F)cc2)CC1 1359299435 FIDVXYAZFMBZAF-IBGZPJMESA-N 457.550 2.187 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(OC)c3)n2CCS(=O)(=O)N2CCSCC2)C1 1359314568 DAHOSBHSOBRMGV-FQEVSTJZSA-N 493.655 2.114 30 10 JEEE C[C@@H]([C@@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1CC1(N(C)C)CCOCC1)S(C)(=O)=O 1359481174 HOBVVTSXMUALFN-MSOLQXFVSA-N 474.631 2.185 30 10 JEEE CNC(=O)[C@@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CN(CC(C)C)CCO2)C1 1503724382 BNIXVKSEQNASPS-BWKNWUBXSA-N 465.602 2.136 30 10 JEEE COCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1504895681 DDPCTXYKDFNLBC-UHFFFAOYSA-N 464.574 2.048 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OCc2ccccn2)cc1 1507518709 WNDOOSHTOZSIMQ-ROUUACIJSA-N 468.583 2.369 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc(Cl)nc3)n2C[C@@]2(O)CCN(C)C2)c1 1507548583 AZQLIIOTWOAWRY-XMMPIXPASA-N 479.972 2.116 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H](OC)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1507630197 URVGJJXSSWYCMT-FXAWDEMLSA-N 474.583 2.362 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1507631457 PTJDOYLKUJIRII-ROUUACIJSA-N 490.630 2.403 30 10 JEEE C#CCN(c1nnc(C2CCC2)n1CCc1ccc(OC)c(OC)c1OC)[C@@H]1CCS(=O)(=O)C1 1507633592 UDOLTFNOYHZOGK-LJQANCHMSA-N 488.610 2.441 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@H]1NC(=O)CC1(C)C 1507648105 JYSGTRGKWRWBDI-FQEVSTJZSA-N 471.565 2.223 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@]1(N(C)C)CCSC1 1507663025 QPKZVWHCGVTEFL-HSZRJFAPSA-N 471.652 2.249 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCOC[C@H]1C 1507710180 CLLLTPUXCSRXES-AQNXPRMDSA-N 477.606 2.345 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2CCCN(C)S(=O)(=O)CC)CC1 1507723410 HLRUEEOZLYTQRL-UHFFFAOYSA-N 497.625 2.027 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCNC(=O)OC(C)(C)C)CC1 1507730541 SJULBCNJZIWPHE-HXUWFJFHSA-N 468.558 2.071 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H]2CCC=CO2)CC1 1507733444 ZAIJXQVYFZWSKF-ZCNNSNEGSA-N 456.591 2.497 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCN(CC(F)(F)F)C2)CC1 1507904526 YRFVSCCTZQQTRL-IRXDYDNUSA-N 461.554 2.467 30 10 JEEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1CCN(CCN(C)C)CC1 1507980025 GYGUOAQAGURFGR-NRFANRHFSA-N 491.681 2.482 30 10 JEEE C=CCSCCn1c(N2CC[C@](C)(N3CCOCC3)C2)nnc1[C@]1(OCC)CCOC1 1508169095 XSSCVTWUODXVQE-VXKWHMMOSA-N 451.637 2.150 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCn1ccc2ccccc21 1508423558 HQUISIZOAICWBC-WIYYLYMNSA-N 485.614 2.252 30 10 JEEE C[C@H]1COCCN1c1nnc(-c2cccc(C#N)c2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1512538677 GGTXYLDITFKUFW-MAUKXSAKSA-N 450.465 2.305 30 10 JEEE N#Cc1ccc(N2C[C@@H](C(=O)Nc3cccc(CN4CCNC(=O)C4)c3)CC2=O)cc1Cl 1523534948 DNPROEFGFOOKCM-KRWDZBQOSA-N 451.914 2.135 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CCSCC=C)c1 1539038279 NLUOYFSDWKTKCN-UHFFFAOYSA-N 452.584 2.490 30 10 JEEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 1539078904 IAWBOZFQBHJDRR-JOCHJYFZSA-N 450.587 2.060 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1cccc(C(C)(C)O)c1)[C@@H]1CCS(=O)(=O)C1 1539219443 CJLWSPVHFZMUFQ-RTWAWAEBSA-N 472.611 2.422 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(Cl)c2)n1CCS(=O)(=O)N1CCSCC1 1539241642 GVJDSJZNNBLQNX-UHFFFAOYSA-N 464.016 2.050 30 10 JEEE C=C(Br)Cn1c(N2CCC(N3CCCC3=O)CC2)nnc1[C@]1(OCC)CCOC1 1539608639 BOFFGLWUDUJMTK-FQEVSTJZSA-N 468.396 2.430 30 10 JEEE C=C(Br)Cn1c(N2CCO[C@@H](c3nnc(C)o3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1539612671 PIOMVXSTAFTVDR-DNVCBOLYSA-N 483.367 2.497 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(Oc2ccc(OC)cc2)CC1 1539705506 XXYRCOOTXGRJBZ-OAQYLSRUSA-N 491.614 2.244 30 10 JEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@](C)(c2ccccc2)C1 1540004704 DTPHNIMHQPPDHG-OFNKIYASSA-N 475.615 2.329 30 10 JEEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)c(OC)c1OC)C1CC1 1540110053 YMXIZUWMXGUJPD-MRXNPFEDSA-N 462.572 2.409 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](c2nc(C)cs2)C1 1540877263 PCJHKGNRSTYPAW-LNLFQRSKSA-N 460.604 2.453 30 10 JEEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1540913834 VBESQTQLUOLTPP-FQEVSTJZSA-N 464.599 2.003 30 10 JEEE CC(C)NC(=O)c1nnc(N(C)C[C@@H](C)C#N)n1C[C@@H](C)N1CCN(c2ccccc2)CC1 1541103725 FRSNUDULOYOYMJ-VQTJNVASSA-N 452.607 2.223 30 10 JEEE CC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](C(N)=O)C1)NC(=O)OC(C)(C)C 1545968248 BAVSFULIWQYQHA-ROUUACIJSA-N 453.547 2.432 30 10 JEEE COC1CCN(C(C)(C)Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(CC#N)CC2)CC1 1555158948 BKDREMIEPZDIDU-IBGZPJMESA-N 478.663 2.200 30 10 JEEE CS(=O)(=O)c1cccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CC2(S(C)(=O)=O)CCCC2)c1 1555792249 AQJQOONOZLYDPX-FQEVSTJZSA-N 495.602 2.148 30 10 JEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](CC)[C@@H](c2ccc(C)cc2)n2cncn2)c1 1566470813 ZGFSXWMFLWARPV-FGZHOGPDSA-N 451.552 2.296 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CCc1nnc2n1CCCCC2 1587668236 VVEXIQXTMFSLRS-MRXNPFEDSA-N 452.588 2.288 30 10 JEEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1587702379 UPHMLCHGHFNRRX-UHFFFAOYSA-N 484.626 2.137 30 10 JEEE C#CCCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1587754997 QDDSODAGNGYIRD-SFHVURJKSA-N 482.610 2.492 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1588035202 PXYPBCBPZOZVTM-WBVHZDCISA-N 466.510 2.210 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1cn(CCCC)nc1C)[C@@H]1CCS(=O)(=O)C1 1588055740 YUERHVJDOQYDKP-RTWAWAEBSA-N 474.631 2.500 30 10 JEEE C#CCN(CC#CC)c1nnc(Cc2ccncc2)n1CC(=O)N1CCN(c2ccccc2)CC1 1588241401 OMJMXFOYNYSFCH-UHFFFAOYSA-N 467.577 2.076 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCCN(C)CC(F)(F)F)CC1 1588791056 LQRWLCLPWMRTGH-UHFFFAOYSA-N 478.519 2.356 30 10 JEEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1589053223 KFCSPUVYSAOTKD-MRXNPFEDSA-N 458.588 2.065 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CCS(=O)(=O)C1 1589164157 RROBIPSNJGXPPW-IFXJQAMLSA-N 466.405 2.473 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2COc3ccccc3O2)n1CCCNS(=O)(=O)CC 1589216763 WVTGJPCYUVFRPF-SIKLNZKXSA-N 459.572 2.112 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCC2(CCOCC2)C1 1589494170 KMKBWLURMGBLOM-QRVBRYPASA-N 467.636 2.267 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1589567570 FEYNYKANOZTPMK-MTQWNXOMSA-N 488.677 2.422 30 10 JEEE C=C(C)COCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1593763215 DMARCLGHBLKFPH-HXUWFJFHSA-N 459.572 2.335 30 10 JEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1ccc(OC)cc1OC 1595405806 YXXHEOPUEULXDG-ICSRJNTNSA-N 477.587 2.156 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCS[C@H](C)[C@H]1C 1595537423 QUSSTJUUHJIMJE-HZPDHXFCSA-N 467.599 2.307 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1595766551 SHGKFGWJBJHDDD-UHFFFAOYSA-N 480.550 2.089 30 10 JEEE CCCC(O)(CCC)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1614419629 BWCLSUUARCVFDL-UHFFFAOYSA-N 461.588 2.295 30 10 JEEE CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 1617331638 AGCWOTSBIQFIOU-UXHICEINSA-N 459.572 2.311 30 10 JEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1OC 1623737182 BYNOKZCPENWAOP-INIZCTEOSA-N 451.545 2.381 30 10 JEEE C#CCNC(=O)CN1CCCN(C(=O)C[C@H]2CN(C(=O)OC(C)(C)C)c3ccccc32)CC1 1627015716 ZANWUVYXBWNGSK-IBGZPJMESA-N 454.571 2.199 30 10 JEEE C#CC[C@@H](CO)NC(=O)c1cccc(S(=O)(=O)Nc2cc(Cl)c(OC)cc2OC)c1 1638760837 CAGKIPVJEVNMBF-AWEZNQCLSA-N 452.916 2.272 30 10 JEEE CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)c1ccc(Cl)cc1C#N 1660589529 CJYMHHCQDNSKNW-HNNXBMFYSA-N 457.936 2.385 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1CNC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC 1666519379 CHQJREFCJHDAGQ-OXQOHEQNSA-N 453.561 2.209 30 10 JEEE N#Cc1nc(NC(=O)NCc2cccnc2N2CCC(C(N)=O)CC2)ccc1Br 1679661141 CVNXZASYOZPXQC-UHFFFAOYSA-N 458.320 2.134 30 10 JEEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1689943029 IHGRNRMXHIAXJG-PXNSSMCTSA-N 456.547 2.111 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H](CC=C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1689977906 GUNJULOREAIVEA-SFTDATJTSA-N 469.611 2.403 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1Cc1cccc(C(=O)NC)c1)[C@H]1CCS(=O)(=O)C1 1689983789 HNLYSYOUPZAENY-IBGZPJMESA-N 498.996 2.028 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H](C)N(C)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1689992231 INNZIPXFUPGRSQ-ZJSXRUAMSA-N 492.649 2.411 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1CCN(C(C)=O)CC1 1690090875 AUTWCNLKZHCILI-OAQYLSRUSA-N 487.601 2.218 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1CC1(C(N)=O)CCCC1 1690095204 IUIOLQHDXPNFGG-UHFFFAOYSA-N 463.380 2.178 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1690195987 UKLVSBLNKNBRAX-UIFIKXQLSA-N 471.524 2.185 30 10 JEEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 1690462425 GQNBUIDUSFROHX-ACRUOGEOSA-N 471.650 2.402 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](CN2CCC(C)CC2)C1 1690714625 QDSOEGMQNUNQML-NRFANRHFSA-N 492.690 2.063 30 10 JEEE C[C@@](O)(Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1)c1ccccc1Cl 1692810252 BBRVGYVPHVDRQV-HRAATJIYSA-N 463.991 2.481 30 10 JEEE CCCNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1695429554 CFVNLANENPRJKL-FQEVSTJZSA-N 497.600 2.463 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H]1CC[C@@](C)(CC)O1)[C@H]1CCS(=O)(=O)C1 1705568943 AZKSVFCHTUYRII-SXWKCWPCSA-N 457.600 2.238 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1Cc1ccc(-n2cccn2)cc1)[C@@H]1CCS(=O)(=O)C1 1705571042 VGUHLPFXVDGKGM-OAQYLSRUSA-N 452.584 2.337 30 10 JEEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1705660491 WPWZVKNQODFUKM-PKOBYXMFSA-N 452.588 2.263 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 1705661750 ILWHGZBQCRXNIQ-HXUWFJFHSA-N 493.699 2.022 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(O)CC(OCC)C1 1705860813 WOUAZPWIGBJDOE-UZGSZPBKSA-N 485.610 2.174 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1705907023 XXKIXSTZOWBFQV-UHFFFAOYSA-N 480.548 2.032 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1705932290 ARDAIRBDPIAPKB-HSZRJFAPSA-N 470.599 2.340 30 10 JEEE C=CCSCCn1c([C@@H]2CCCCO2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1705945982 WOKUQGGNYNERHK-TYPHKJRUSA-N 462.664 2.428 30 10 JEEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CC[S@@](=O)C(C)(C)C 1706832107 HYNFCCPIHHPBBN-MHTXLSKPSA-N 451.618 2.233 30 10 JEEE Cc1nn(C)c(N2CCN(c3nnc(C(C)C)n3Cc3ccc(S(C)(=O)=O)cc3)CC2)c1C#N 1707807479 AYHHMRPEWHHIRX-UHFFFAOYSA-N 482.614 2.094 30 10 JEEE CCO[C@@]1(c2nnc(N(C)C[C@@H](C)C#N)n2Cc2cccc(N3CCOCC3)c2)CCOC1 1710422688 AODDJCSFVYKBNB-CYFREDJKSA-N 454.575 2.411 30 10 JEEE COc1cc(OC)cc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2CCS(=O)(=O)NC(C)C)c1 1711699282 FAVCXELLSROALU-JOCHJYFZSA-N 476.603 2.420 30 10 JEEE COc1ccccc1Cc1nnc(N2CCC(CC#N)CC2)n1CCS(=O)(=O)NC(C)C 1711975103 GRFLXPADMXWRJR-UHFFFAOYSA-N 460.604 2.335 30 10 JEEE C#CCN(c1nnc(COCC)n1Cc1ccc(CN2CCCC2)cc1)[C@@H]1CCS(=O)(=O)C1 1722370071 KWFBPLQLOFOPNH-JOCHJYFZSA-N 471.627 2.085 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1CC(=O)N(C)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 1722371867 MHUOOLPIHXAQEN-QHCPKHFHSA-N 497.665 2.481 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccccc1CN1CC[C@H](O)C1 1722387113 GNKCOZKJHAAEDT-QHCPKHFHSA-N 483.576 2.003 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H](C)Oc2ccc(OC)cc2)CC1 1722433223 PUTOPCAKINBNSN-NLFFAJNJSA-N 469.586 2.162 30 10 JEEE C=CCC(C)(C)Cn1c(N2CCN(S(C)(=O)=O)[C@@H](C)C2)nnc1[C@]1(OC(C)C)CCOC1 1722593364 PDTPMFQMFCUFLB-AVRDEDQJSA-N 469.652 2.391 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1722729668 SXLUGHJQMLZVTD-PMACEKPBSA-N 457.600 2.026 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](c1cccs1)N1CCCC1 1722862994 GKCRTPPFIYBGHF-IKGGRYGDSA-N 465.649 2.383 30 10 JEEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC[C@@H]2OC)C1 1728681481 BWWLWELYRWBKSC-AQNXPRMDSA-N 458.588 2.150 30 10 JEEE CO[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1)C(C)C 1729875882 DUZNAIDIDGVEHG-GCJKJVERSA-N 465.602 2.277 30 10 JEEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(N(C)C)CCSC2)C[C@H](C)O1 1730608639 DWQWXXJHRUJJMR-XZOYJPPVSA-N 486.642 2.406 30 10 JEEE C#CCN(c1nnc(-c2nnc(O)c3ccccc23)n1CCSCC=C)[C@H]1CCS(=O)(=O)C1 1740622316 BRAUDUANRBZHRO-INIZCTEOSA-N 484.607 2.140 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@H]1CCOC[C@H]1OC 1740639107 QWMREMJQMWIZBV-SIKLNZKXSA-N 474.565 2.189 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1740707356 ZBWOXQLPCOMCRE-NRFANRHFSA-N 462.598 2.058 30 10 JEEE C#CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1740716922 DXCLQUQDVXZYAA-NQIIRXRSSA-N 455.584 2.462 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1740955340 QSOJBHGIGCQWFK-IBGZPJMESA-N 462.558 2.151 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1740956922 VLYUTGTVTSAXRH-YLJYHZDGSA-N 489.020 2.456 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@](C)(O)c2ccc(F)cc2)C1 1740980948 NCDWJTPXCRZJRC-PERKRYKHSA-N 464.563 2.008 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1740981137 MGLSHURQFCKGRB-ROUUACIJSA-N 458.950 2.292 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC(=O)N(C)[C@H](C)C1 1740986866 JRCCDMIOCPIBNX-MJGOQNOKSA-N 475.615 2.303 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1740991686 BQWTXCKVJXCATB-MOPGFXCFSA-N 497.662 2.466 30 10 JEEE CC(C)(C)S(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1741242009 AWNSLCLGQYTBTM-UHFFFAOYSA-N 457.604 2.037 30 10 JEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CCO)Cc1ccc(F)c(Br)c1 1748751412 HDWRMIFCWITIRP-INIZCTEOSA-N 499.406 2.494 30 10 JEEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CCN2[C@H](C)CC[C@H]2C)CC1 1748765374 DYIYXKDNELJFNG-LUKWVAJMSA-N 458.651 2.410 30 10 JEEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cc(F)ccc1N1CCOCC1 1748770738 DLHUYBFMWHLEOQ-XMMPIXPASA-N 457.550 2.412 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC1(c2ccccc2C)CC1)[C@@H]1CCS(=O)(=O)C1 1748802191 NAXWHLIRXQLVET-LJQANCHMSA-N 469.611 2.083 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CCc2ccc(OC)c(OC)c2Cl)CC1 1748988790 BIDLOVKLHAPPLR-GOSISDBHSA-N 459.978 2.451 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](C)Oc2ccccc2F)CC1 1749009673 VJASFBBJCUIJRJ-QGZVFWFLSA-N 465.533 2.251 30 10 JEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N(C)Cc1ccc(N2CCOCC2)cc1 1749044217 PDYPPHSIJOHBQP-UHFFFAOYSA-N 468.627 2.240 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCS(=O)(=O)CC1 1749119079 NAVSYCAISAQPJW-HKUYNNGSSA-N 494.017 2.078 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2cn3ccccc3n2)nnc1N(C)CC(=O)NC(C)C 1749134213 WGWNGOPSSOTLES-MBSDFSHPSA-N 451.575 2.459 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1749143729 LIPGDRCLFCVZQU-KURKYZTESA-N 456.657 2.179 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1749366396 FCZOOLDWRBWCJE-RTBURBONSA-N 467.636 2.015 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1749730025 XINVFDVRLHSWJH-UHFFFAOYSA-N 484.557 2.042 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@H](C)N1CCN(CC)CC1 1760102116 FJQZTIZJGMPVIB-RBUKOAKNSA-N 470.618 2.455 30 10 JEEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CC(=O)N1CCOCC1 1760123465 GLTNRUJBAFYVKW-AWEZNQCLSA-N 452.342 2.481 30 10 JEEE C#CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CCN1CCCS1(=O)=O 1760178271 GJKPQYOWOQKRAA-UHFFFAOYSA-N 458.371 2.269 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1cccc(OC)c1)N1CCCC1 1760234039 RYFLOFKYXWOARU-IRLDBZIGSA-N 471.627 2.485 30 10 JEEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C2CCCCC2)C(=O)C1 1760284386 LPFUCDNIDREMHA-UHFFFAOYSA-N 455.632 2.487 30 10 JEEE C#CCSCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1760285704 OSMFVSNHTSNZEB-FQEVSTJZSA-N 482.610 2.313 30 10 JEEE C=C(Br)Cn1c(CC2CC2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1760310801 DCHXIUWCCCYQGL-MRXNPFEDSA-N 451.413 2.272 30 10 JEEE C=C(Cl)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1760371254 TWRKADPEEYRTCV-WMZOPIPTSA-N 485.980 2.041 30 10 JEEE C=CCCOCCn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@@H](COC)C1 1760447447 NPPCALAMWGFWCG-MRXNPFEDSA-N 454.369 2.490 30 10 JEEE C=CCN(c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(C)(C)C(=O)NC)C1CC1 1760471556 ZFESEHWXSWWSQK-UHFFFAOYSA-N 459.620 2.474 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(Cc2cc(F)ccc2OC)CC1 1760523364 VSUWXYDRUGBZDE-UHFFFAOYSA-N 453.522 2.045 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCN(C(=O)NCC)CC1 1760526441 OJDAAPOTDRPVFK-UHFFFAOYSA-N 483.617 2.443 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1760526863 VRCBWRSTGSELBU-HXUWFJFHSA-N 475.615 2.180 30 10 JEEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 1760526939 JWDBTJSNRDKCIT-MRXNPFEDSA-N 460.604 2.158 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1760527606 CADLPYOOLJVZTN-CLOONOSVSA-N 469.586 2.496 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(C)C(=O)[C@@H]1C 1760548448 GVSSBUFTCHBPAY-HOTGVXAUSA-N 482.006 2.339 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN(c2cc(C)nc(C(C)C)n2)CC1 1760552496 PZJJOYAPNAAZJC-UHFFFAOYSA-N 498.657 2.433 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cn(C)c3ccccc23)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1760552525 QUURUBWPLNPGLY-SJORKVTESA-N 493.655 2.295 30 10 JEEE COCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1770977926 CPWCTBRFQFHSGI-ZEQRLZLVSA-N 465.558 2.090 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(CC)Cc1cnn(C)c1 1772567256 UVRYEBTYXNIAQQ-LJQANCHMSA-N 486.621 2.455 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCO)[C@H]2c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1F 1862648396 ZXFFRATWDPDWSH-FQEVSTJZSA-N 488.424 2.474 30 10 JEEE C=CCN1C(=O)C(NCc2ccc(S(N)(=O)=O)cc2)=C(c2ccc(OC(C)C)cc2)C1=O 1863695526 NRPNHUCXQOJPIS-UHFFFAOYSA-N 455.536 2.177 30 10 JEEE C=CCn1cc(OCC(=O)NCCN(CC)CC)c(=O)cc1CNc1cccc([N+](=O)[O-])c1 1870975612 BXTRDQRXLISGQZ-UHFFFAOYSA-N 457.531 2.391 30 10 JEEE C=CCn1c(C(=O)NC[C@H](c2ccc(O)cc2)N(C)C)cc2c(N3CCC(C(N)=O)CC3)ncnc21 1873595748 PPVHGOQYGPVAPZ-JOCHJYFZSA-N 491.596 2.057 30 10 JEEE Cc1ccc(O)c(/C=N/n2c(SCC(N)=O)nnc2[C@@H]2CC(=O)N(Cc3ccccc3)C2)c1 1874210232 NYIYWFRVWPXQRG-VFADJPBRSA-N 464.551 2.268 30 10 JEEE CC(C)N1C(=O)CS[C@@H](C(=O)N2CCN(c3ccnc(N(C)C)n3)CC2)[C@@H]1c1ccc(C#N)cc1 1889638145 MNPZMWHMFWGOBE-XZOQPEGZSA-N 493.637 2.157 30 10 JEEE C=CCNC(=O)c1nc(C(=O)N2CCC[C@@H](Oc3ncc(Br)cn3)C2)cs1 1891455030 LGXXNILJQDHYBA-GFCCVEGCSA-N 452.334 2.295 30 10 JEEE CC(=O)N1CCN(C(=O)c2ccc(C(=O)N3CCC[C@@H](COc4cc(C#N)ccn4)C3)cc2)CC1 1891915142 PEYDGRISRNIKPF-OAQYLSRUSA-N 475.549 2.189 30 10 JEEE CC1(C)OB(c2ccsc2S(=O)(=O)N(CCC(N)=O)Cc2ccccc2)OC1(C)C 2247952858 OZDWUMOYSKMBIC-UHFFFAOYSA-N 450.391 2.114 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1S(=O)(=O)NCCN(C)C(=O)OC(C)(C)C 2255799896 OCNYCXWTINMTEG-UHFFFAOYSA-N 454.398 2.439 30 10 JEEE Cn1nc(C(=O)NC[C@@H]2CCN2C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2255816415 FBHKVIDCQHTOLE-LBPRGKRZSA-N 454.764 2.112 30 10 JEEE CN(Cc1sccc1B1OC(C)(C)C(C)(C)O1)C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C 2256614554 OJPYDMPFFCRWEN-CQSZACIVSA-N 454.398 2.281 30 10 JEEE C[C@@H]1CCCN(C(=O)OC(C)(C)C)[C@@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2256625828 CBRAVZQQZHHDOF-OLZOCXBDSA-N 452.386 2.233 30 10 JEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@]1(C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2256626486 KOQYQYZCJABFMX-FKIZINRSSA-N 452.386 2.091 30 10 JEEE CC(C)(C)OC(=O)N1CCN(CCOc2nccc(B3OC(C)(C)C(C)(C)O3)c2F)CC1 2265990937 XQPKDUYJGZNHRX-UHFFFAOYSA-N 451.348 2.451 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1COC[C@@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2266988751 STTMYFWYBAAXRN-IRXDYDNUSA-N 450.316 2.147 30 10 JEEE CC1(C)OB(c2cncc(S(=O)(=O)NCc3cnn(Cc4ccccc4)c3)c2)OC1(C)C 2267345922 UZAUVOUQACCNRO-UHFFFAOYSA-N 454.361 2.104 30 10 JEEE C[C@H]1CCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C[C@@H]1NC(=O)C(F)(F)F 2267372617 QUCJGXJOOOLXOK-RYUDHWBXSA-N 482.355 2.125 30 10 JEEE CN([C@H]1CCN(C(=O)OC(C)(C)C)C1)S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2267378851 OETAJLWDXRYAOB-INIZCTEOSA-N 467.397 2.011 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H]1CNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2267463882 DFICDKZYEKDXAD-ZIAGYGMSSA-N 487.453 2.023 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)[C@](C)(CO)C1 2267560242 AFMWVGKSXADYCO-QFIPXVFZSA-N 450.341 2.023 30 10 JEEE CC1(C)OB(c2cncc(C(=O)NC[C@H]3CN(C(=O)OCc4ccccc4)CCO3)c2)OC1(C)C 2267589622 CONAIZPWYJVXGT-NRFANRHFSA-N 481.358 2.148 30 10 JEEE CC(C)(C)OC(=O)N[C@]12C[C@@H]1CN(S(=O)(=O)c1ccc(B3OC(C)(C)C(C)(C)O3)cc1)C2 2267713344 AIZPLVPFGRLHNP-QRQCRPRQSA-N 464.393 2.274 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)Nc1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2268631934 DVEBXYBLHIXXAC-RHSMWYFYSA-N 450.316 2.434 30 10 JEEE C=C(CN(C)C(=O)[C@]1(COC)CN(C(=O)OC(C)(C)C)CCO1)B1OC(C)(C)C(C)(C)O1 2268718888 VUCNAHDHENTICR-JOCHJYFZSA-N 454.373 2.285 30 10 JEEE CN(C[C@H](O)CN(C)C(=O)c1c(F)cccc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2281771500 CMWJYQVNUMTCJY-OAHLLOKOSA-N 466.359 2.425 30 10 JEEE CC(C)(C)OC(=O)NCC12CC(CNC(=O)c3nscc3B3OC(C)(C)C(C)(C)O3)(CO1)C2 2281803375 WGLWRDCARAKMOD-UHFFFAOYSA-N 479.408 2.246 30 10 JEEE Cc1c(C(=O)N[C@@H](C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281809314 ZBCLUFSABXNHGU-JKSUJKDBSA-N 462.400 2.403 30 10 JEEE Cn1cc(C(=O)N[C@H]2C[C@H]3C[C@H]2C[C@H]3NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2281962381 YHVKODSHECTFAI-HDEZJCGLSA-N 460.384 2.141 30 10 JEEE Cn1cc(C(=O)NC[C@]2(F)C[C@@H](CNC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2281974444 XPDVAOHUFDKLRM-XLOAEROZSA-N 466.363 2.092 30 10 JEEE Cc1nn(C)c(C(=O)NC2[C@H]3C[C@H]2CN(Cc2ccccc2)C3)c1B1OC(C)(C)C(C)(C)O1 2281984486 CKZSEGUTYSALIN-OALUTQOASA-N 450.392 2.278 30 10 JEEE CC1(C)OB(c2cnc(C(=O)N3CCN(Cc4ccccc4)[C@@H](C#N)C3)c(F)c2)OC1(C)C 2282037638 YCRCQCIIYKAENS-IBGZPJMESA-N 450.323 2.370 30 10 JEEE CO[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282190119 OIQYISTYLPSCKR-MSOLQXFVSA-N 461.368 2.135 30 10 JEEE CC(C)(C)OC(=O)NCCc1nc(NS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)n[nH]1 2282339487 VDDQFXOSRFSDSI-UHFFFAOYSA-N 499.424 2.033 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2CCN(S(=O)(=O)c3cncc(B4OC(C)(C)C(C)(C)O4)c3)[C@H]2C1 2282416985 DKOCSUQKLMJODX-QAPCUYQASA-N 479.408 2.011 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 2282587039 HMRJCNBCRLWLEV-IYBDPMFKSA-N 460.384 2.252 30 10 JEEE Cc1c(C(=O)N[C@@H]2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282592937 KBRHNAFWICKGPO-BZUAXINKSA-N 460.384 2.013 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@]12CCN(C(=O)OC(C)(C)C)C[C@@H]1C2 2282609880 OAPVBTISHUMKPH-NPMXOYFQSA-N 460.384 2.332 30 10 JEEE CN(C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1)[C@H]1CN(Cc2ccccc2)C(C)(C)C1 2282617771 MIGHBZPJHNPWFL-GOSISDBHSA-N 453.396 2.239 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)[C@@H]1C1CC1 2282695417 NMUXSESMOCXSMK-AEFFLSMTSA-N 458.368 2.294 30 10 JEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CC(=O)N[C@H]2CCC=C2B2OC(C)(C)C(C)(C)O2)C1 2283961324 FZMYNOHURLJLPH-WBVHZDCISA-N 484.424 2.247 30 10 JEEE Cc1ccc(CNC(=O)[C@H](CN(C)C)NC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2296184422 OZBXMUCRHYZPLP-IBGZPJMESA-N 461.412 2.365 30 10 JEEE COc1ccc(N2C[C@@H](c3nnc(SCC(N)=O)n3N=Cc3ccccc3)CC2=O)cc1 2325880612 SNYFCNOVMRKVOF-INIZCTEOSA-N 450.524 2.267 30 10 JEEE O=C1C[C@H](c2nnc(SCCO)n2N=Cc2ccc(O)cc2O)CN1Cc1ccccc1 2325925163 WQUQNTJLUOKPQI-KRWDZBQOSA-N 453.524 2.172 30 10 JEEE Cn1c(=O)nc(O)c2c1nc(NN=Cc1ccc(Cl)cc1)n2C[C@@H](O)COc1ccccc1 2327751593 OXRJROBHVQWDFD-MRXNPFEDSA-N 468.901 2.375 30 10 JEEE COc1ccc(NC(=O)[C@@H](O)[C@@H](C)NC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2339735184 GDXCHDWDVPKGEE-DYVFJYSZSA-N 450.341 2.207 30 10 JEEE CC(C)(C)OC(=O)N(CCO)CCC(=O)NCCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2368553886 KBIBXPFNJBIPAX-UHFFFAOYSA-N 462.396 2.264 30 10 JEEE Nn1c(N/N=C/c2cc(Cl)cc(Cl)c2O)nnc1SCC(=O)NCc1ccco1 21318666 PNWHOQLOPLGLSC-AERZKKPOSA-N 456.315 2.452 30 10 JEEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 519509996 JYXQEUKNPYFZLN-UHFFFAOYSA-N 451.483 2.065 30 10 JEEE COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2C)c(=O)n1Cc1ccccc1 523080850 PSWGILNETJFXEP-UHFFFAOYSA-N 465.550 2.061 30 10 JEEE C#CCN(C(=O)CCc1nc(-c2cc(Br)cs2)no1)[C@H]1CCS(=O)(=O)C1 729334768 CMYQBRGLGXRLCN-LBPRGKRZSA-N 458.359 2.142 30 10 JEEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccccc2-n2ccc(C(=O)OCC)n2)c1 731012247 KFTODEQQYFAGMY-UHFFFAOYSA-N 452.492 2.213 30 10 JEEE C#CCN(C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1)[C@H]1CCS(=O)(=O)C1 918754915 JJWUYUIPOYVMCA-KRWDZBQOSA-N 473.016 2.167 30 10 JEEE COc1cc(C=NNc2nnc(SCC(=O)NCc3ccc(C)cc3)n2N)cc(OC)c1OC 1084089873 FOJNIAFBTZBQOS-UHFFFAOYSA-N 485.570 2.181 30 10 JEEE C#CCNS(=O)(=O)N1CCN(C(=O)NCC2(c3cccc(Cl)c3)CCCCC2)CC1 1228734203 WYWXBNZSYOCXNQ-UHFFFAOYSA-N 453.008 2.337 30 10 JEEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCCN(Cc2ccc(OC)cc2)C(=O)C1 1286335827 MORHCBXJMKQBPN-UHFFFAOYSA-N 464.570 2.175 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H](c1ccc(CC)cc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1286389846 ROTOONOISDQJDS-GMAHTHKFSA-N 493.637 2.227 30 10 JEEE C#CCN(CC)c1nnc(-c2ccc(Br)cc2)n1CCCNS(=O)(=O)CC 1286439024 KQUUOPWVDIEPDP-UHFFFAOYSA-N 454.394 2.497 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@](C)(O)c2ccc(F)cc2)CC1 1286492204 DRBSSGXPRKKKPP-KBMIEXCESA-N 469.561 2.185 30 10 JEEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1286611688 NXIPLVRIVKTPAD-OALUTQOASA-N 457.579 2.162 30 10 JEEE C=CC1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1286656381 YGEJTVDKAZBVOK-SFHVURJKSA-N 454.531 2.353 30 10 JEEE C=CCS(=O)(=O)CCn1c(Nc2cnn(C)c2)nnc1[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1286825565 SQAQZTRXJWRBJY-MRXNPFEDSA-N 479.607 2.471 30 10 JEEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]2CCC[C@@H]21 1286831720 JOWRAIRFULTPLC-SQNIBIBYSA-N 455.650 2.299 30 10 JEEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(=O)N(C)Cc1ccccc1 1300458231 FQYGJCWWRBQGIM-UHFFFAOYSA-N 458.570 2.180 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(=O)N1CCCCC1 1300538376 PHLUEWNEFOYTDA-HXUWFJFHSA-N 484.601 2.062 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccc(Cl)cc2Cl)n1CCNC(=O)c1cc[nH]n1 1300548988 VQJDEEMYSGUEPH-UHFFFAOYSA-N 472.336 2.390 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCC[C@@H]1C 1300671769 ORWXLGMDELJVSJ-PMACEKPBSA-N 476.622 2.157 30 10 JEEE C=C(Br)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(C)C(=O)[C@H]1C 1300829563 HSHRMXHNPKCOAD-CQSZACIVSA-N 496.435 2.122 30 10 JEEE C=CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CC1CCS(=O)(=O)CC1 1301422662 SFQQDDRFQZTSSP-UHFFFAOYSA-N 472.571 2.058 30 10 JEEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 1301498235 LQSLIDXQKPBOGR-TZIWHRDSSA-N 471.650 2.055 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1301519910 SJJHDWSSRWYXAP-UHFFFAOYSA-N 499.062 2.044 30 10 JEEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC[C@@H](F)C2)CC1=O 1301927283 AUCYAFPAWMBPON-RTBURBONSA-N 456.522 2.162 30 10 JEEE CC(C)C(=O)NCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@@](C)(C#N)C1 1302466079 BRCBHINCQBXYJU-DEOSSOPVSA-N 462.558 2.094 30 10 JEEE CC(C)C(=O)NCCn1c(-c2cnn(C)c2)nnc1N1CCCN(c2ccccc2C#N)CC1 1302466271 FQTSGLDFOVZODA-UHFFFAOYSA-N 461.574 2.039 30 10 JEEE COC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1)OC 1315792936 HFFDFLDXLXJPRX-LEWJYISDSA-N 452.559 2.221 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCCN(C)S(=O)(=O)CC 1358870940 XGIXXMOJZSASPK-GOSISDBHSA-N 460.604 2.277 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2CCCNC(=O)C(C)C)c1 1358902646 VFLUKTVWYXNEBG-LJQANCHMSA-N 452.559 2.001 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CCN(C(C)C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1358964901 JUBHXTZRPNFYCI-OAQYLSRUSA-N 458.632 2.009 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CCc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1358964997 LRWFSNSNAUGYLW-OAQYLSRUSA-N 465.579 2.142 30 10 JEEE C#CCN(c1nnc(COc2ccccc2CC)n1C[C@H]1CCN(CC)C1)[C@H]1CCS(=O)(=O)C1 1358967826 TUNWXONMFRWKDM-UNMCSNQZSA-N 485.654 2.388 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(N2CCC(OC)CC2)CCCC1 1358994674 TZLHXIFPAOPFRL-NRFANRHFSA-N 487.670 2.067 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H]2CCN(CCC)C2)CC1 1359033106 PZAQSOFTEQAOKJ-FQEVSTJZSA-N 452.603 2.449 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2CCCCN2CCC[C@@H]2CO)CC1 1359043003 CEIXCAONUALFRW-OAQYLSRUSA-N 482.604 2.287 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2ccc(C[S@](C)=O)cc2)CC1 1359044738 NEXFWQHGAMVYMI-RIPCNWKXSA-N 483.638 2.412 30 10 JEEE C=C(Cl)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1359148829 DSWDLIHOZZDKEZ-HNNXBMFYSA-N 476.990 2.441 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 1359302413 HAJBOQDWQGBMSV-HXUWFJFHSA-N 478.532 2.106 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2(O)CC(OCC)C2)C1 1359314675 GDFMGUBOSYKKHR-MVBMGLOESA-N 476.599 2.060 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N(C)C[C@@H]1COc2ccccc2O1 1359333618 DIKOBMSRFQISPR-LJQANCHMSA-N 469.567 2.141 30 10 JEEE C=CCSCCn1c([C@H]2CCOC2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1359343289 PZOLQWQCBJFBGV-MOPGFXCFSA-N 462.664 2.271 30 10 JEEE C#CC[C@H](CCOC)NC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 1461936414 UJYYDMPCCBTIQQ-OAHLLOKOSA-N 457.936 2.194 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H](C)Cc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1507631567 QSQRVSJJLUTORP-RXVVDRJESA-N 482.610 2.193 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2CC[C@H](C(F)F)N2CCOCC2)CC1 1507731667 ANVREACGLULASE-JOCHJYFZSA-N 488.583 2.277 30 10 JEEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1507748877 VBRAZVSMRAQHMK-NRFANRHFSA-N 498.653 2.072 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1CC(=O)N(CCOC)C1 1507763121 NOIFSGFTFMGSDV-IQGLISFBSA-N 467.570 2.449 30 10 JEEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1507914977 QTCUNVCPLBODEK-ZWKOTPCHSA-N 476.651 2.386 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1508072747 KEECUDOVQRGGDE-IAGOWNOFSA-N 471.558 2.136 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1508073683 LUHIUDTYLCCMNU-AWEZNQCLSA-N 470.883 2.406 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC(CC(=O)NC)CC1 1508076471 UFINXAJFQFSXID-INIZCTEOSA-N 458.538 2.212 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCCN(C(=O)c2cccc(F)c2)CC1 1508137897 SLSLNMKKZYBHGP-UHFFFAOYSA-N 498.584 2.433 30 10 JEEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CN2C[C@H](C)O[C@H](C)C2)CC1 1508158419 GQWPWQJQSQLYSW-WSTZPKSXSA-N 462.664 2.474 30 10 JEEE CCN(CCn1c(C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C)CCC(F)(F)F 1515709893 CDEUPMAMEUSIAX-HNNXBMFYSA-N 451.501 2.238 30 10 JEEE COc1ccc(O[C@H](C)Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)cc1 1518308672 BQDLOGMENYVHPV-ZOCZFRKYSA-N 463.535 2.098 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@H]1CCCN1CC)[C@H]1CCS(=O)(=O)C1 1539212767 SNICWZZJQSQYJT-MOPGFXCFSA-N 487.626 2.073 30 10 JEEE C#CCN(c1nnc(-c2noc3c2COCC3)n1CCCC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1539216710 WELZCNRPUPSDGN-INIZCTEOSA-N 461.588 2.459 30 10 JEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1CCc1ccn(C)n1)[C@H]1CCS(=O)(=O)C1 1539218765 CQLACZPFXDUJRY-FQEVSTJZSA-N 473.002 2.125 30 10 JEEE C#CCN(c1nnc(COc2ccccc2OC)n1CCc1cccnc1)[C@@H]1CCS(=O)(=O)C1 1539231123 ORAMJMKURRGSJZ-HXUWFJFHSA-N 481.578 2.130 30 10 JEEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1ncccc1N(C)C 1539273257 MMFPXPIFTWPZSC-UHFFFAOYSA-N 482.636 2.225 30 10 JEEE C#CCN(CCOC)c1nnc(Cc2ccccn2)n1CC1(N2CCOCC2)CCCCC1 1539417427 HBPFLZZAXBDTHE-UHFFFAOYSA-N 452.603 2.385 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H]2CC[C@H](F)C2)CC1 1539451865 CJZWHGCSKXPGSO-UFYCRDLUSA-N 476.597 2.480 30 10 JEEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2CCCN2C[C@H](C)O[C@@H](C)C2)CC1 1539459295 CORRUFWWFURGPR-GOTSBHOMSA-N 466.630 2.154 30 10 JEEE C#CCSCCn1c(COc2ccccc2OCC)nnc1N1CCN(C(=O)NC)CC1 1539526324 IDZRMSRFNWYULD-UHFFFAOYSA-N 458.588 2.084 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(C)C)CC1 1539632699 SWRGLPCLZCQSRB-GGPKGHCWSA-N 451.637 2.128 30 10 JEEE C=C(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C[C@@H](O)COc2ccccc2)CC1 1539714836 ZYARHGZKCCCQFY-JOCHJYFZSA-N 465.602 2.278 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1)C(C)C 1540148481 XFVCTDHEIGDDPR-HKBOAZHASA-N 485.633 2.147 30 10 JEEE C=CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@H](C(=O)NCCC)C1 1540854340 YZKWSWKVFPXAFV-KRWDZBQOSA-N 459.620 2.475 30 10 JEEE C=CCNC(=O)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N(C)CCN1CCOCC1 1540863989 LTXDFSGWHLZWBJ-UHFFFAOYSA-N 481.626 2.448 30 10 JEEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 1540909982 UAGDNRQKTFDWNU-MSOLQXFVSA-N 467.665 2.462 30 10 JEEE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3ccc(C#N)cc3)n2CCCO[C@H]2CCOC2)C1 1540937968 HPCVQEIENHYACU-UNMCSNQZSA-N 452.559 2.317 30 10 JEEE COc1ccc(NC(=O)[C@H]2CSCN2C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)cc1 1542803407 DPDCRSZLUGHDNR-LJQANCHMSA-N 459.549 2.022 30 10 JEEE C=CC[C@@H](C)NC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 1543657378 YNDRQFYUPOTRJO-QMTHXVAHSA-N 455.886 2.352 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCN1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1588035139 PKBUBVNNNURJIS-OAQYLSRUSA-N 486.598 2.212 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H](c1c(F)cccc1F)N(C)C)[C@@H]1CCS(=O)(=O)C1 1588073753 DBTUBKDUCMGXLN-LSTHTHJFSA-N 493.580 2.337 30 10 JEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@](C)(O)c1ccccc1 1588139091 LMCQTZSCFUTJSK-AREMUKBSSA-N 455.566 2.433 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(=O)NC(C)(C)C 1588398613 HIOZDARXGLGIMG-KRWDZBQOSA-N 462.595 2.351 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccnc(C(F)(F)F)c2)CC1 1588752811 WQBLTIKYSZLSEU-OAQYLSRUSA-N 464.492 2.148 30 10 JEEE C=C(Br)Cn1c(N2CCC(S(C)(=O)=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1589461012 XGUNIWNLLRIKAW-GOSISDBHSA-N 477.425 2.241 30 10 JEEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2ccccc2OCC)CC1 1593806636 CTZYIGQYTPYYGY-MRXNPFEDSA-N 497.021 2.002 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2c[nH]c3ccccc23)nnc1N1CCN(C(=O)OCC)CC1 1595788617 DTOCFUKADRZVNH-UHFFFAOYSA-N 472.571 2.306 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1c1ccccc1 1595797832 JCXVRQOBGCKIJL-RTBURBONSA-N 464.613 2.123 30 10 JEEE C[C@]1(C(N)=O)CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2nccc(C(F)F)n2)C1 1611778204 DOCRIQFQWMXLTA-QFIPXVFZSA-N 468.468 2.206 30 10 JEEE Cc1ccc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(N(C)S(C)(=O)=O)CC2)cn1 1612086269 GQYOUZGEFZTQGF-UHFFFAOYSA-N 495.609 2.341 30 10 JEEE CO[C@@H]1CCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(OCC(N)=O)CC1 1619490486 BWTWLFRLGOCQOP-WIYYLYMNSA-N 468.558 2.015 30 10 JEEE COCCN(CCC#N)c1nnc([C@H]2COc3ccccc3O2)n1CC(C)(C)N1CCOCC1 1619912531 GAAGKGWOSSZDQA-OAQYLSRUSA-N 470.574 2.268 30 10 JEEE CS(=O)(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCOc2ncccc2F)C1 1620152246 CVUVFXFTTSELNL-GOSISDBHSA-N 470.530 2.443 30 10 JEEE C#CCN(CC#CC)C(=O)c1cc(S(=O)(=O)NC[C@@H]2CCCO2)ccc1Br 1634517400 BYPWUYHTBCDGNP-HNNXBMFYSA-N 453.358 2.005 30 10 JEEE N#Cc1ccc(CN2CC[C@H](NC(=O)[C@@H]3CC(=O)N(Cc4ccccc4Cl)C3)C2=O)cc1 1639973487 BRYGKRRHOICXNL-CTNGQTDRSA-N 450.926 2.477 30 10 JEEE C=C(C)C[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)OCC1c2ccccc2-c2ccccc21 1650974814 QLRHXGFFXNRPAO-ZHRRBRCNSA-N 451.523 2.212 30 10 JEEE C=CCOc1ccc(CC(=O)N2CCN(C(=O)OC(C)(C)C)[C@H]3CS(=O)(=O)C[C@H]32)cc1 1653118151 PPSUVOCBNXKWEO-MOPGFXCFSA-N 450.557 2.039 30 10 JEEE CC(=O)N1CC[C@H](C)c2ccc(S(=O)(=O)N3CCN(c4nccnc4C#N)C[C@H]3C)cc21 1662841056 GITSLPVSWHQZAO-JKSUJKDBSA-N 454.556 2.108 30 10 JEEE C=C[C@@H]1OCC[C@H]1NC(=O)N1CCC[C@H](CNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)C1 1682436653 JNBZXOJGRVUMFN-MKXGPGLRSA-N 450.580 2.267 30 10 JEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)N[C@H]1CC2(CN(C(=O)OC(C)(C)C)C2)n2ccnc21 1687742251 GIHHITUSNGTAGK-INIZCTEOSA-N 459.547 2.260 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CCO[C@@H]1C(C)C)[C@@H]1CCS(=O)(=O)C1 1689982077 HKERDZDVVDZWCA-BLRYILKCSA-N 494.658 2.007 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1ccc(OCCC)nc1)[C@H]1CCS(=O)(=O)C1 1689991606 AJLLKOATTBZBSI-NRFANRHFSA-N 480.594 2.123 30 10 JEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1ncccc1N(C)C 1690003527 PVOSPQKJGKUOHO-UHFFFAOYSA-N 476.610 2.129 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1CCN1CCN(Cc2ccccc2)CC1 1690043143 QHWUPGIFLJQKOS-UHFFFAOYSA-N 454.582 2.016 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(C)o3)n2CC[C@@H](N2CCOCC2)C(F)(F)F)CC1 1690115618 MVZUNQNTZYUFQH-LJQANCHMSA-N 466.508 2.255 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1690250071 CRCAOLPBXHPCIV-UEXGIBASSA-N 474.606 2.485 30 10 JEEE CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCO[C@H]2C(C)C)CCO1 1690957298 GBNAKXKZUHERLT-BDTNDASRSA-N 452.559 2.219 30 10 JEEE CO[C@H]1COCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1ncnn1CC(F)F 1697698084 HPEJVRQTEHDCJH-ROUUACIJSA-N 472.500 2.361 30 10 JEEE CS[C@@H](C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1698344436 FLPIPBOKIJAKEX-SFHVURJKSA-N 451.604 2.485 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCOCCN(C)C 1705490729 PKSWLVOGQNXGPN-SFHVURJKSA-N 451.575 2.272 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2COc3ccccc3O2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1705494557 BXPUIKDZNBOKAH-NNMXDRDESA-N 466.586 2.191 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@H](C)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1705563173 RXIGMHMLWFSWED-GHTZIAJQSA-N 454.600 2.174 30 10 JEEE C#CCN(c1nnc([C@@H]2COc3ccccc3O2)n1CCCOCC(F)F)[C@H]1CCS(=O)(=O)C1 1705564481 CKIBTDRKPJNAFZ-LPHOPBHVSA-N 496.536 2.089 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1csc([C@@H](C)OC)n1)[C@@H]1CCS(=O)(=O)C1 1705566817 QLXKRUOOTQKUCA-NXHRZFHOSA-N 479.628 2.359 30 10 JEEE C#CCN(c1nnc(COc2ccccc2CC)n1Cc1snnc1C)[C@H]1CCS(=O)(=O)C1 1705568050 GETNURJDCYUFCY-SFHVURJKSA-N 486.623 2.254 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1705623382 PXTHEDPNHBZDSZ-VXKWHMMOSA-N 476.560 2.249 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccc(C)cc2N2CCOCC2)CC1 1705631878 CSRHDNYWXAXZAE-UHFFFAOYSA-N 493.656 2.145 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1 1705661959 MGNUMPPJNAOTEJ-KRWDZBQOSA-N 497.687 2.430 30 10 JEEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](n2cncn2)C1 1705664149 KSPQRSCBOZUWKB-MRXNPFEDSA-N 456.601 2.069 30 10 JEEE C=C(Br)Cn1c(N2CCC(N3CCNC3=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1705692487 KWMVADAPYLJRJX-HXUWFJFHSA-N 483.411 2.221 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(C)(C)N1CCOCC1 1705712330 QDWGSPGSVIGFPR-UHFFFAOYSA-N 451.579 2.434 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@H](C)C1)C(C)C 1705869257 QBBOGHRLLVUVIL-PLACYPQZSA-N 465.664 2.492 30 10 JEEE C=CCN(CC=C)c1nnc(-c2noc3c2COCC3)n1C[C@H](N1CCOCC1)C(F)(F)F 1705873292 CYXDXPNBUKRFCB-KRWDZBQOSA-N 468.480 2.447 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@]2(C)CN(C)C2=O)C1 1705917371 TTZUFVDTNHFPCD-FOIQADDNSA-N 463.380 2.306 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1C[C@H](C)S[C@@H](C)C1 1705936901 APPSEPHOWYPDOY-IRXDYDNUSA-N 460.629 2.448 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCCN(c3ccccc3C#N)CC2)n1C[C@]1(N(C)C)CCSC1 1706617769 CYGMILATTKCEAK-RUZDIDTESA-N 496.685 2.442 30 10 JEEE C[C@@H]1OCC[C@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(F)(F)F)CC1 1708275528 FNWVPYXLCSZDED-YWZLYKJASA-N 450.465 2.041 30 10 JEEE C#CCCCn1c([C@H]2CCCOC2)nnc1N1CCC(C(=O)NCCCN2CCCC2)CC1 1722333980 QTNXVCHWOXRWMA-QFIPXVFZSA-N 456.635 2.404 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1cccc(OCC)c1)[C@H]1CCS(=O)(=O)C1 1722372500 XYJONIJYKBSQAR-NRFANRHFSA-N 482.610 2.213 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2CCC(=O)N[C@@H](C)CC)CC1 1722445431 PYQIOVVMWAYHIU-KRWDZBQOSA-N 454.550 2.355 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2Cc2cnn(CC)c2)CC1 1722447936 RCVYRRJLOSUDCE-UHFFFAOYSA-N 467.524 2.378 30 10 JEEE C=CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1722678922 HXJWHGDPKBNIOO-CVDCTZTESA-N 476.599 2.326 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN(c2ccc(F)cc2)CC1 1722725143 HBNLLHWLCBREDR-UHFFFAOYSA-N 456.547 2.407 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1722725301 IRIMNUWALGUWJG-KRWDZBQOSA-N 464.563 2.459 30 10 JEEE CC(=O)N1CCN(CCn2c([C@H](C)Oc3ccccc3F)nnc2N2CC[C@](F)(C#N)C2)CC1 1722795238 FNUVQGLZINAFFQ-SBUREZEXSA-N 473.528 2.163 30 10 JEEE CC(C)[C@@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)C[C@@H](C)C#N)N1CCOCC1 1722862123 GSSYLPCQPCDRSB-GHTZIAJQSA-N 474.631 2.301 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@](C)(O)c1ccco1 1740538955 LUGUWRXRSATVMF-AOMKIAJQSA-N 457.556 2.154 30 10 JEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2cccc(OC(F)F)c2)C1 1740581284 UNEVRQVFENLLEZ-QAPCUYQASA-N 483.541 2.481 30 10 JEEE C#CCCCn1c(N2CCN(C(=O)c3ccc(F)cc3)CC2)nnc1[C@]1(OCC)CCOC1 1740597486 ULYZXSPJZZLGDM-DEOSSOPVSA-N 455.534 2.445 30 10 JEEE C#CCN(c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCOCCN(C)C)[C@@H]1CCS(=O)(=O)C1 1740621045 ZROGMCMQQSAONK-JOCHJYFZSA-N 487.670 2.448 30 10 JEEE C#CCN(c1nnc(CCOc2ccccc2)n1CC1(C)CCOCC1)[C@H]1CCS(=O)(=O)C1 1740625990 URLFJEANMMFXCS-FQEVSTJZSA-N 472.611 2.343 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1sc(C)nc1C)[C@H]1CCS(=O)(=O)C1 1740627073 XOFYVOGBUOPLIR-SFHVURJKSA-N 456.597 2.012 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc([S@@](C)=O)cc1 1740751155 HYOWVZCRWOIUBA-JIFSIFNRSA-N 495.671 2.243 30 10 JEEE C=C(C)Cn1c(COc2ccc(OC)cc2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1740785741 YLGQQBYWMVYCHZ-QHCPKHFHSA-N 454.531 2.256 30 10 JEEE C=CC1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1740833804 BJOXBOIADQNQSH-SFHVURJKSA-N 485.976 2.252 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](C)[C@H](C)C1 1740960096 KYMSUBFLJUTGSR-KURKYZTESA-N 462.595 2.371 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1740963188 CMQGGNZNHSAAQL-IBGZPJMESA-N 494.600 2.351 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1740964109 HTAIRYRKDGURDI-UHFFFAOYSA-N 496.612 2.397 30 10 JEEE Cc1cc(C)n(Cc2nnc(N3CCN(c4cc(C#N)ccn4)CC3)n2CC[S@@](=O)C(C)(C)C)n1 1742708331 IBEOJZAJVRBECW-PGUFJCEWSA-N 495.657 2.280 30 10 JEEE CCCN1CC[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@H](C(=O)OC)C2)C1 1745691764 HOBOFBQLGHKHAB-VQTJNVASSA-N 452.559 2.460 30 10 JEEE CCN(CC)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCC[C@H](O)C2)CC1 1746047437 HCPDVRPXRUGJRV-GGAORHGYSA-N 479.629 2.358 30 10 JEEE COc1c(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)oc2ccccc12 1748507039 GQDAOMQICHJTRA-CQSZACIVSA-N 458.544 2.431 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(S(C)(=O)=O)CCCC1 1748651237 KARWHZPEFFAIAP-MRXNPFEDSA-N 464.613 2.164 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2Cc2ccc(N(C)C)nc2)c1 1748692050 CDEIDMNUBBJIDX-UHFFFAOYSA-N 467.537 2.301 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@]1(O)CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1748818312 AFUPBZOOQSXEGF-HKARXFIJSA-N 478.565 2.325 30 10 JEEE COc1cccc(C(=O)NCCn2c(Cn3nc(C)cc3C)nnc2N(C)C[C@H](C)C#N)c1 1748889066 CSIGYRZJYFGCRL-MRXNPFEDSA-N 450.547 2.174 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCCN2CCN(CC)CC2)CC1 1748979316 YHXTWYOHIWKYNP-QFIPXVFZSA-N 483.636 2.340 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CCS(=O)(=O)CC)CC1 1748999099 ICAIIJUWXVNOJM-UHFFFAOYSA-N 486.425 2.354 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2CCCN2CCN(c3ccncc3)CC2)CC1 1749004440 IZJDGKTYVILHKM-JOCHJYFZSA-N 492.672 2.365 30 10 JEEE C#CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1749020195 NTHJBOHUCZYVNM-GOSISDBHSA-N 496.058 2.241 30 10 JEEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N(CC)CCS(C)(=O)=O 1749023348 SACLWLQQYDDHTM-UHFFFAOYSA-N 460.423 2.273 30 10 JEEE C#CCSCCn1c(-c2cccc(Br)c2)nnc1N1CCN(C(=O)COC)CC1 1749023661 ZROHEYAVAFPWKH-UHFFFAOYSA-N 478.416 2.369 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1749102460 MSQDDWGIXAHPIQ-IPELMVKDSA-N 481.439 2.070 30 10 JEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccccc2C2OCCO2)CC1 1749329224 IXDHWUJTGANDHC-MRXNPFEDSA-N 461.588 2.384 30 10 JEEE COC[C@@H](Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC[C@@](C)(C#N)C1)OC 1749344070 FJILPMGLPGEKFB-BVAGGSTKSA-N 481.645 2.434 30 10 JEEE C=CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1cccn(CC)c1=O 1749597372 DRJIGXHHUWHUCX-UHFFFAOYSA-N 461.526 2.463 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCN(c2nc(C)cc(OCC)n2)CC1 1749664797 ZZHJJTOEPHMYFJ-UHFFFAOYSA-N 492.584 2.080 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1749736954 USTOQFXXUCIBFW-LEWJYISDSA-N 460.600 2.162 30 10 JEEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1760132345 HLABMUKIKODQNT-FQEVSTJZSA-N 486.642 2.304 30 10 JEEE C#CCCCCn1c([C@@H]2COc3ccccc3O2)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1760138651 FBSCIECOMZCRNI-NQIIRXRSSA-N 454.552 2.221 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(=O)NCc1ccco1 1760202603 IJXQWPYOEWZRJW-IBGZPJMESA-N 480.569 2.375 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2)n1CCNS(=O)(=O)Cc1ccon1 1760213433 CAXFCUXFGKXNIA-UHFFFAOYSA-N 472.958 2.169 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC2C[C@@H](C)O[C@H](C)C2)CC1 1760265969 NFQGCAGDHRRMJQ-RRQZXNHTSA-N 473.618 2.100 30 10 JEEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1760274717 RTFMAUKRROQHFR-UHFFFAOYSA-N 493.655 2.189 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 1760374064 HRRVYIDPTSEULK-QRQLOZEOSA-N 451.015 2.351 30 10 JEEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1760421636 WALLWTYOIRABCS-VXKWHMMOSA-N 485.677 2.497 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCC[C@H](NC(C)=O)C1 1760517533 PGCBXLIYJGVXTM-HNNXBMFYSA-N 479.354 2.254 30 10 JEEE C=CCSCCn1c(Cc2ccccn2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1760567166 QWHGDJNOCHOBPT-UHFFFAOYSA-N 450.634 2.043 30 10 JEEE C[C@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CSCCS1 1763038645 DWWQVECACZKHOM-YJBOKZPZSA-N 458.613 2.244 30 10 JEEE C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@](O)(COP(=O)(O)O)C1=O 1848440192 FBLFYLWWJUILAQ-GIZUVNIVSA-N 472.446 2.013 30 10 JEEE in-vitro C=CCNC(=O)NS(=O)(=O)c1ccc(CCNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1 1858973289 RVBPNRBTUUTMGR-KPKJPENVSA-N 458.496 2.141 30 10 JEEE CCN(CC)CCNC(=O)c1ccc(NC(=O)[C@H](N=C2NS(=O)(=O)c3ccccc32)C(C)C)cc1 1869928707 YAZMRNPRCVOPEF-JOCHJYFZSA-N 499.637 2.460 30 10 JEEE CC(C)OC(=O)c1ccc(Cn2nnc(C#N)c2NC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)cc1 1870106595 AXEPRKCUWIRJOF-OAHLLOKOSA-N 486.488 2.386 30 10 JEEE CCOc1ccc(OCC(=O)Nc2c(C#N)nnn2-c2ccc(N3CCN(C)CC3)cc2)cc1 1870152564 ZFTDJLCAMRASQG-UHFFFAOYSA-N 461.526 2.307 30 10 JEEE C=CCn1cc(OCC(=O)Nc2ccc(OC)cc2)c(=O)cc1CNc1ccc(S(N)(=O)=O)cc1 1871180567 PBWHIGCBQQWFBH-UHFFFAOYSA-N 498.561 2.320 30 10 JEEE N#Cc1cccnc1N1CCN(C(=O)C[C@H]2CSc3nc4c(cnn4-c4ccccc4)c(=O)n32)CC1 1892309599 CTSNFIMVVFTJOY-IBGZPJMESA-N 498.572 2.235 30 10 JEEE N#Cc1nc(-c2cccs2)oc1N1CCC(C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 1892319493 HYBMXOWECKLADM-SFHVURJKSA-N 469.567 2.341 30 10 JEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CC(=O)N2CCC[C@@H](B3OC(C)(C)C(C)(C)O3)C2)C1 2180986665 GBHGMDJCPUCWOT-SJORKVTESA-N 486.440 2.495 30 10 JEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](C(=O)Nc2ccc(C#N)cc2Br)C1 2197772610 HVFJMLVUOLDIIP-CQSZACIVSA-N 458.334 2.293 30 10 JEEE CC(C)(C)OC(=O)NCCc1nc(=NC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)s[nH]1 2267194826 GTCRDEDKUPSZEI-UHFFFAOYSA-N 481.409 2.035 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1S(=O)(=O)N[C@@H]1C[C@H]1CNC(=O)OC(C)(C)C 2267471754 VNFZEFDAAIZBQE-DOTOQJQBSA-N 466.409 2.486 30 10 JEEE CC(C)(C)OC(=O)N[C@]1(CO)CCCN(C(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267498857 XBSYKHMVMKQUOM-JOCHJYFZSA-N 450.341 2.071 30 10 JEEE CC(C)(C)OC(=O)NOCCCNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2267702501 HRWRDJUSINVXBX-UHFFFAOYSA-N 474.360 2.250 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCN(CC(=O)NCc2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2268636608 FQVJMZAKWZDAGS-INIZCTEOSA-N 465.425 2.263 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)O 2268646057 SABUKXQHSILTER-GUYCJALGSA-N 450.341 2.207 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1[C@H]2C[C@@H](CN(c3cccc(B4OC(C)(C)C(C)(C)O4)n3)C2)[C@H]1CO 2281502800 YRBNCLWZVPMJAY-LJCCNALRSA-N 459.396 2.339 30 10 JEEE Cn1ncc(C(=O)NC[C@]23CC[C@@H]2CN(C(=O)OC(C)(C)C)C3)c1B1OC(C)(C)C(C)(C)O1 2281808605 DEQRRFOKJOGRPZ-CMJOXMDJSA-N 460.384 2.096 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)[C@]2(CCOC2)C1 2281829351 XJEMBMATGVSHAU-QMHKHESXSA-N 462.352 2.477 30 10 JEEE CC(C)(C)OC(=O)N1CC[S@@](=O)(=NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C(C)(C)C1 2281983708 YBMXVCCMUHAQJA-XIFFEERXSA-N 482.412 2.346 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCOC[C@@H]1NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2281997317 ZVTUIASKUQCMJU-CVEARBPZSA-N 481.786 2.446 30 10 JEEE CCn1cc(C(=O)N2C[C@@H]3CC[C@@]3(NC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2282039078 QERWLSCFSWCVKO-NPMXOYFQSA-N 460.384 2.332 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@]2(CNC(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)C1 2282517353 ANMXNDWAKSWMPJ-RCDICMHDSA-N 479.408 2.198 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC2CC3(C2)CN(C(=O)OC(C)(C)C)C3)n1 2282530362 STQSTJBKJFERTO-UHFFFAOYSA-N 460.384 2.096 30 10 JEEE CC1(C)OB(c2cnc(C(=O)NCC3CCN(C(=O)C(F)(F)F)CC3)c(F)c2)OC1(C)C 2282535635 RANQTBUWWOVRIP-UHFFFAOYSA-N 459.249 2.051 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCC[C@H]3[C@H]2CCN3C(=O)OC(C)(C)C)n1 2282555486 UGBXKJBYQYEYQJ-DLBZAZTESA-N 460.384 2.333 30 10 JEEE Cn1cc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CCC2(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2282578714 VNASWLBVUJPJDC-INIZCTEOSA-N 462.400 2.485 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1[C@@H]2[C@@H]1CCCN2C(=O)OC(C)(C)C 2282586585 AGQHNZPAUCEHJC-OIISXLGYSA-N 460.384 2.155 30 10 JEEE COc1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2C[C@H]2NC(=O)OC(C)(C)C)cc1OC 2282590560 CQHKBZCGQIGFRR-JKSUJKDBSA-N 462.352 2.398 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)[C@H]1C1CC1 2282695419 NMUXSESMOCXSMK-SJLPKXTDSA-N 458.368 2.294 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CCN(S(=O)(=O)Cc3ncsc3B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2282837345 DDULEMJPFUNNPC-GOEBONIOSA-N 499.464 2.213 30 10 JEEE CN(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2cccc(B3OC(C)(C)C(C)(C)O3)c21 2283949738 CBIBSLNKCICPTN-GOSISDBHSA-N 459.396 2.330 30 10 JEEE CN(Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)C1(NC(=O)OC(C)(C)C)CC(O)C1 2284048154 JLHFJCPWYPIEQD-UHFFFAOYSA-N 460.380 2.362 30 10 JEEE CN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1)[C@@H]1CN(C(=O)OC(C)(C)C)CC1(C)C 2289957120 NWTAMRZCSIRJQE-MRXNPFEDSA-N 462.400 2.437 30 10 JEEE COCc1nnc(SCC(=O)NCc2ccco2)n1N=Cc1cc(OC)c(OC)cc1OC 2331569593 YTBURXQDBDNMGC-UHFFFAOYSA-N 475.527 2.334 30 10 JEEE COc1nc(O[C@@H]2C[C@H](NC(=O)OC(C)(C)C)[C@@H]2OC)ccc1B1OC(C)(C)C(C)(C)O1 2339834294 HLXKTPRDWOBXCG-UXLLHSPISA-N 450.341 2.449 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1C[C@@H]2[C@H]1CCN2C(=O)OC(C)(C)C 2359276461 QZWIYQRIYUMFGW-HLLBOEOZSA-N 460.384 2.095 30 10 JEEE C/C(=N\Nc1nc2c(c(=O)n(C)c(=O)n2C)n1C[C@@H](O)COc1cccc(C)c1)c1ccccc1 34258605 XHRSPKYFHGZLPS-IPISDEMTSA-N 476.537 2.018 30 10 JEEE C#CCN(CCC(=O)Nc1ccc(C(=O)Nc2ccccc2OC)cc1)[C@H]1CCS(=O)(=O)C1 731213604 HKOAEXNWPPFQCU-FQEVSTJZSA-N 469.563 2.398 30 10 JEEE C=CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)NCc2c(C)nn(-c3ccccc3)c2C)c1 918957370 URCJNZIXHKWPSY-UHFFFAOYSA-N 482.562 2.427 30 10 JEEE CCc1nnc(CNC(=O)CSc2n[nH]c(NN=C(C)c3ccc(OC)c(OC)c3)n2)o1 1084235408 ZOEWETMEOIDTSQ-UHFFFAOYSA-N 460.520 2.012 30 10 JEEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc3c(c2)C(C)(C)CCN3C(C)=O)n1 1189897039 PQDTXFUPSXZSEE-UHFFFAOYSA-N 458.584 2.388 30 10 JEEE C#C[C@H](C)N(C)c1nnc(Cc2ccc(Cl)cc2)n1CCNS(=O)(=O)Cc1ccon1 1286295353 HSGKKZSUGPLOEI-HNNXBMFYSA-N 462.963 2.088 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCCO3)n2C[C@H]2CCCN2CCCO)c1 1286311559 NSTGFQWZAODEQX-DHIUTWEWSA-N 480.613 2.423 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3csc(C)n3)n2CC(C)(C)C(=O)NC)c1 1286312574 YDYZZKPXWMCANU-UHFFFAOYSA-N 479.610 2.462 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CC(C)(C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 1286390833 AFCFBYSMRGMYLN-NRFANRHFSA-N 470.643 2.013 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@](C)(O)[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1286391814 JFJJYSCINIRUTE-CDXJDZJCSA-N 450.630 2.354 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CC(F)(F)Br)CC1 1286489785 DYFFLUNPZMBQGC-UHFFFAOYSA-N 453.291 2.294 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(c2cnn(CC)c2)CC1 1286509467 QUVLIQZAZLAZSU-GOSISDBHSA-N 462.645 2.147 30 10 JEEE C=C(C)COCCn1c(-c2cccc(OC)c2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1286603945 CHAXZRLQBVXULV-SFHVURJKSA-N 466.546 2.078 30 10 JEEE C=CCN(CC=C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@]1(C)CN(C)C1=O 1286753454 CPKGRTVJXWYOFA-JOCHJYFZSA-N 457.604 2.203 30 10 JEEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1286789733 HGVHEYLZBIBCEB-OAQYLSRUSA-N 478.601 2.424 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(=O)OC)C1 1286798702 LABDLGLCOPXGEG-MOPGFXCFSA-N 474.583 2.183 30 10 JEEE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3ccc(C#N)cc3)n2CCCCCS(C)(=O)=O)C1 1286845952 TTXXCYLRPKAIMI-HXUWFJFHSA-N 472.615 2.336 30 10 JEEE C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(Cl)cc1 1288524796 HNQLGHBSCGPCKI-RHSMWYFYSA-N 452.968 2.051 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccccc1Cl)N(C)C 1300270362 BTPOTHXCDCYLQW-DAYGRLMNSA-N 453.012 2.303 30 10 JEEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 1300336919 QFWOPWQLKRHRNO-LEWJYISDSA-N 471.650 2.037 30 10 JEEE C#CCN(c1nnc([C@@H](C)CC)n1CCN1CCN(Cc2ccccc2)CC1)[C@@H]1CCS(=O)(=O)C1 1300483404 JSSBWLYGBRYRJL-LADGPHEKSA-N 498.697 2.236 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCC(=O)N1CCCCCC1)[C@H]1CCS(=O)(=O)C1 1300483616 MGBYEUMNTBQZBW-IBGZPJMESA-N 473.599 2.266 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1CCN1CCc2sccc2C1)[C@H]1CCS(=O)(=O)C1 1300484893 SGGBDTBQAIMLQE-SFHVURJKSA-N 461.657 2.322 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1cccc(C(N)=O)c1 1300553751 RAUXJJGHNWQNCK-BGYRXZFFSA-N 462.554 2.269 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CC[C@]2(CCOC2)O1 1300554033 XWNZDIHASRLPKA-XZWCOCNFSA-N 469.586 2.460 30 10 JEEE COc1ccccc1OCc1nnc(N2CCC(CC#N)CC2)n1C[C@H]1CCCN1S(C)(=O)=O 1300638406 DZSWRUNGKBWSJP-LJQANCHMSA-N 488.614 2.420 30 10 JEEE C#CCN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1300641687 IRNRHDZMETYTNR-MAAXNUDZSA-N 483.573 2.035 30 10 JEEE C=C(C)COCCn1c(-c2cccc(C)n2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1300990395 DGHUXAZOMJGKJO-UHFFFAOYSA-N 462.620 2.492 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2C[C@@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)nnc1C(C)(C)C 1301596579 SKMVYAPVDPOKKM-BTYIYWSLSA-N 453.609 2.280 30 10 JEEE C=CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCNC(=O)[C@H]1CC 1301611059 FASVIEFNTSQZOB-IAGOWNOFSA-N 480.635 2.221 30 10 JEEE C=CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCC(S(C)(=O)=O)CC1 1301617846 JUGSQRFLCCDRDJ-UHFFFAOYSA-N 469.658 2.202 30 10 JEEE C[C@H](C#N)CN(C)c1nnc(Cc2cccnc2)n1CC(=O)N1CCN(c2ccccc2)CC1 1301973196 CCAPXOVLCSKRLW-HXUWFJFHSA-N 458.570 2.209 30 10 JEEE Cc1cccc([C@H](C)Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)c1 1304154376 FJERSDXWUOACIH-ZWCUEREDSA-N 476.578 2.165 30 10 JEEE CCCN(CC)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1306806010 DQVBLKWQUBXICZ-CTNGQTDRSA-N 467.574 2.395 30 10 JEEE COCCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCN(c2ccccc2F)C1 1316100822 APOXLDLKGRBUKD-HKUYNNGSSA-N 455.538 2.261 30 10 JEEE Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccn(-c2cccc(C#N)c2)n1 1348976158 CQKCOGZFEHHCJU-UHFFFAOYSA-N 451.508 2.326 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCCO3)n2CCNC(=O)C(C)C)c1 1358902088 DZXWKNVTZQDUDR-FQEVSTJZSA-N 452.559 2.348 30 10 JEEE C#CCCCn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 1358931920 SLNFHGOWNZGFBV-JTHBVZDNSA-N 463.630 2.494 30 10 JEEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1C[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1358966076 HMYGYQIRVLCSGD-VQTJNVASSA-N 458.584 2.137 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccccc1COCC)[C@@H]1CCS(=O)(=O)C1 1358967144 FAHBKSTXKSFUTH-NHCUHLMSSA-N 458.584 2.341 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCOC[C@H]2CCOC2)CC1 1359030768 FCKCQSMKRQOTCP-QGZVFWFLSA-N 477.407 2.234 30 10 JEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1359059884 DLWMIXSREWRDNE-UHFFFAOYSA-N 462.620 2.072 30 10 JEEE C=C(C)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 1359122138 ZUWWCFOGJHHNMM-GHTZIAJQSA-N 491.614 2.244 30 10 JEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(Cc2ccsc2)CC1 1359202756 BDDVQIDLTQZFIJ-FQEVSTJZSA-N 494.687 2.351 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CC1CCS(=O)(=O)CC1 1360473805 ACDQASPXOLGRPA-AWEZNQCLSA-N 455.544 2.157 30 10 JEEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(F)c1 1435550470 CYIRZOTXHNOVCX-WAWZGNHOSA-N 456.909 2.397 30 10 JEEE Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CCN(Cc3nnnn3-c3ccccc3)CC2)cc1 1459705352 ARSFVMKRCDIYIF-NRFANRHFSA-N 458.570 2.424 30 10 JEEE Cn1cccc1-c1nnc(N2CCC(CC#N)CC2)n1CCNS(=O)(=O)c1ccccc1 1503664148 BHNDWBVVFOGPAS-UHFFFAOYSA-N 453.572 2.392 30 10 JEEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCC(C#N)CC3)n2CC(F)(F)c2ccccc2)C1 1505138133 AKRYPSIMYDDTDX-GOSISDBHSA-N 480.541 2.143 30 10 JEEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 1507558169 CEFYBTDSCCIKBG-IRLDBZIGSA-N 466.634 2.299 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@]1(O)CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1507623435 SBBDEOKIEQOYBM-QYXIYQDXSA-N 499.637 2.325 30 10 JEEE C#CCN(c1nnc(C2CCCC2)n1CCC(=O)NCc1ccccc1)[C@H]1CCS(=O)(=O)C1 1507633197 RMUXDSYJYHBUMW-NRFANRHFSA-N 469.611 2.269 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2Cc2ccc(C)n(C)c2=O)CC1 1507720844 XGSBOONJPDGXSP-IBGZPJMESA-N 464.545 2.368 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2CCOc2ccc(S(C)(=O)=O)cc2)CC1 1507727455 ITZHGHSRNDPXDU-UHFFFAOYSA-N 485.635 2.168 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H](C)c2nc(C)cs2)CC1 1507735494 BAAGLTKBJHLZHI-MZNJEOGPSA-N 486.642 2.465 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCN(CC)C(=O)OC(C)(C)C)CC1 1507738978 JVGLJVRDBLPZMO-HXUWFJFHSA-N 488.633 2.395 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H]2CCCN(CC(C)C)C2)CC1 1507739724 UWPGHZQPFOPPLH-IFMALSPDSA-N 456.635 2.116 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H](C)N(C)C2CC2)CC1 1507741278 YNOUCSSVNNGRLQ-GOSISDBHSA-N 468.577 2.445 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1507824811 JNBKMMFSJFHZKH-UHFFFAOYSA-N 450.524 2.460 30 10 JEEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2cc(F)cc(F)c2C1 1507837352 MZYXJVZFMIRFOX-AWEZNQCLSA-N 455.531 2.322 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1([S@@](C)=O)CC1 1508008400 NXMHVYNLDPLWOE-OHZJNBGDSA-N 454.643 2.345 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(C(=O)c2ccccn2)CC1 1508071701 BPDZESDXLOIHLT-GOSISDBHSA-N 493.543 2.217 30 10 JEEE C=CCOc1ccccc1Cn1c(N2CCN(C(=O)C(=O)NC3CC3)CC2)nnc1C(C)(C)C 1508107411 CQNYPPOYESTBAK-UHFFFAOYSA-N 466.586 2.116 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1508143105 DRAFGRDBJBMSSR-HSZRJFAPSA-N 498.653 2.497 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1C[C@H](C)O[C@H](C2CC2)C1 1508144356 PPMBIXZDYXICIP-UWJYYQICSA-N 460.600 2.482 30 10 JEEE CNC(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ncnn2C(C)(C)C)C1 1517512437 FBBZDCVLCIEKLY-SFHVURJKSA-N 477.573 2.086 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)Nc3ccccn3)n2CC2CCOCC2)c1 1539038447 PDOZFZXSCNZWBG-UHFFFAOYSA-N 473.537 2.408 30 10 JEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC[S@](=O)C(C)(C)C 1539155102 SOMPURACZIWYME-PMERELPUSA-N 450.634 2.163 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@H]1CCSC1(C)C)[C@@H]1CCS(=O)(=O)C1 1539224051 CIAITDNCTWVBTG-IEBWSBKVSA-N 459.641 2.422 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1C[C@@]1(C)CN(C2CC2)C1=O 1539400192 AAOGBWZBSMTPNY-OAQYLSRUSA-N 475.391 2.143 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@](C)(O)c1cccs1 1539409168 QJWLFQVGRXDVGD-XMMPIXPASA-N 478.578 2.247 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@]2(C)COCCO2)CC1 1539470525 SSMCLJWERXHSJI-QHCPKHFHSA-N 457.962 2.370 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CC2(C(=O)N(C)C)CCCC2)CC1 1539484146 DTFTVOXDXALBDT-UHFFFAOYSA-N 497.669 2.248 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCNS(=O)(=O)CC 1539534061 KLVVSCRDLAIOLH-JOCHJYFZSA-N 458.588 2.079 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2ccccc2CC1 1539616604 ROJHDUIECAGEQV-UIFIKXQLSA-N 459.616 2.475 30 10 JEEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2c(C#N)cnc3ccccc23)CC1 1539683563 ZZLQNOCOXVTKIO-KRWDZBQOSA-N 480.598 2.211 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCN([C@@H](C)c2nc(CC)no2)CC1 1540868264 YIDHEIFHSDUVPG-SFHVURJKSA-N 464.574 2.384 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@H](N2CCCC2=O)C1 1540874567 LGMUDCREEUUVJB-FQEVSTJZSA-N 466.586 2.367 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCO[C@H](c2nccs2)C1 1540875079 AUNCTCNOWHLIEE-KRWDZBQOSA-N 458.519 2.333 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)c1cccs1 1540903383 DJYWJQPMWYQTBF-HUUCEWRRSA-N 458.631 2.040 30 10 JEEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1540913322 LPEJFLZOUJOVTP-UHFFFAOYSA-N 455.636 2.270 30 10 JEEE C=CCSCCn1c(-c2cccn2C)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1540913480 VGLCMCPUARWKAI-RXVVDRJESA-N 457.648 2.192 30 10 JEEE Cc1ccc(C(=O)NCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@@](C)(C#N)C2)cc1 1542248005 FTVZRRWEESZUSF-XXBNENTESA-N 470.599 2.049 30 10 JEEE CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCCN1CCCCC1=O 1548298492 HBSUSGOJWFHTAK-SFHVURJKSA-N 472.615 2.479 30 10 JEEE COCCN1C[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H](COC)C2)CC1=O 1555573339 AREYWFUQLLOWRX-VQTJNVASSA-N 452.559 2.174 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCOC[C@H]2CC(=O)c2cccs2)s1 1587503299 WZWMTGWVDYUGCV-CQSZACIVSA-N 454.595 2.317 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cccc(C(N)=O)c1 1587638306 CUPRRAZOCONCLS-APWZRJJASA-N 468.558 2.192 30 10 JEEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1C[C@H](F)CN1Cc1cccs1 1588266153 MFTFESDFBPXCSR-IKGGRYGDSA-N 468.624 2.022 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1588741551 DTLFJHCKDUZSJL-XLIONFOSSA-N 454.550 2.227 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2Cc2ccccc2CN2CC[C@@H](O)C2)CC1 1588930044 LYQMQXXMBJQDDP-XMMPIXPASA-N 492.668 2.447 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1589559458 RSOXLQYZGQWIHI-DENIHFKCSA-N 474.631 2.153 30 10 JEEE C=CCC(C)(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1594498940 YZNVJBFIBMYPPK-NRFANRHFSA-N 482.633 2.396 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(N(C)C)CCC1 1595161469 AXEHHAMNKWTJQY-IBGZPJMESA-N 494.687 2.349 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2c(F)cc(F)c(F)c2F)C1 1595673817 JXXYZKVEHMEIMP-NWDGAFQWSA-N 477.484 2.274 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCc2nccnc2C)C1 1595688372 HTVGKDVKIQVZPB-IBGZPJMESA-N 468.583 2.471 30 10 JEEE C=CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(S(C)(=O)=O)CC1 1595879565 XVBJUTDZMOISRQ-UHFFFAOYSA-N 491.687 2.385 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCOC[C@H]2C[C@@H](O)c2cccs2)s1 1622827613 NILSANLMEIQFKV-GDBMZVCRSA-N 456.611 2.168 30 10 JEEE CN(CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)C[C@H](O)COCc1ccccc1 1644613831 FLWBUXXKGISYCX-ZEQRLZLVSA-N 454.546 2.044 30 10 JEEE CC(=O)N1CCC(NC(=O)CN2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)CC1 1660441947 ORDNOWCZUGPFBJ-RYUDHWBXSA-N 451.358 2.216 30 10 JEEE CC(C)(C)Oc1ccc(NC(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)cc1C#N 1671569815 BCENPOLUFCPASB-UHFFFAOYSA-N 451.531 2.386 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)c1ccc(OC)cc1 1689852555 HGCDIOHAGUNOQP-FXAWDEMLSA-N 475.615 2.055 30 10 JEEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1689920819 KYRSGPORYUWKBI-INIZCTEOSA-N 459.480 2.407 30 10 JEEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCOCC1CCOCC1 1689960842 ALJNUGMVXDSCMI-UHFFFAOYSA-N 450.543 2.095 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1Cc1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1689984726 UERVLTCWSZSMAB-GOSISDBHSA-N 485.566 2.242 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1Cc1ccc(OC)nc1)[C@H]1CCS(=O)(=O)C1 1689996829 PLKXRPWBJVMZQM-IBGZPJMESA-N 485.541 2.075 30 10 JEEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1nccn1C(F)F 1690025337 MSYAHWONHBABSW-UHFFFAOYSA-N 478.551 2.356 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1C[C@H](C)N1CCN(c2ccccc2)CC1 1690104256 RCHXBPJSFBWXPW-VXKWHMMOSA-N 452.603 2.079 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H]2CCCO2)CC1 1690139722 YMMOSHUJLAFUOR-IBGZPJMESA-N 453.543 2.107 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCC(=O)NCc2ccccc2)CC1 1690142372 MNMBWMNLBWGCNO-UHFFFAOYSA-N 471.565 2.012 30 10 JEEE C=C(Br)Cn1c(-c2cnccn2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1690225990 SKYRYCSSJDPTRA-DNVCBOLYSA-N 489.422 2.023 30 10 JEEE C=C(Br)Cn1c(CC(C)(C)C)nnc1N1CCN([C@@H](C)C(=O)NCCCOC)CC1 1690229294 SDFLDWMAGPTWHM-KRWDZBQOSA-N 485.471 2.439 30 10 JEEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(N2CCNC2=O)CC1 1690474024 OVLXAVYESBGFFQ-UHFFFAOYSA-N 487.630 2.156 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CCC[C@H](C(=O)OC)C1 1690729225 JKEIFYIIVMUSOD-SFHVURJKSA-N 462.572 2.156 30 10 JEEE C[C@H](C#N)CN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1690994963 AJMGFPQDJRVFCW-SJORKVTESA-N 468.587 2.213 30 10 JEEE CC(C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCC[C@@H](C)C2)CC1 1693679947 DSGMKSZJTXDUHQ-OAQYLSRUSA-N 478.645 2.195 30 10 JEEE CC[C@@H]1CCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1694841148 HEBUHEZAUDICBC-QRVBRYPASA-N 450.609 2.177 30 10 JEEE CCCN1CCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1695394233 AJOCHAXNQDWHQI-IRLDBZIGSA-N 485.658 2.457 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1CC[C@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1705569171 CYYLVWHRJHFVDD-RBUKOAKNSA-N 463.629 2.220 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@H]1CCCN1CC)[C@@H]1CCS(=O)(=O)C1 1705569991 JDVIZOYDNVOXQL-NHCUHLMSSA-N 459.591 2.119 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1CCCOC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1705570372 MQWJOVMKPVMUIU-HXUWFJFHSA-N 490.601 2.220 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1CCc1ccc(S(C)(=O)=O)cc1 1705586500 LTHLBLBTDRXBEA-UHFFFAOYSA-N 453.593 2.353 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC(C)(C)N2CCC[C@H](C)C2)CC1 1705635359 WUGXLSYBZDYESG-OFVILXPXSA-N 458.651 2.196 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(Br)cc3)n2C[C@@]2(C)COCCO2)CC1 1705642374 RMUJVWUGBOKBKA-QFIPXVFZSA-N 490.402 2.180 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1705651972 MKOKTDVERWLKTR-UHFFFAOYSA-N 482.614 2.018 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1705652229 SKTJBWWTCDABBD-PNLZDCPESA-N 456.572 2.065 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCOC[C@@H]1OC 1705670159 KLPNCQCFLYWTJA-NHCICSSKSA-N 487.626 2.239 30 10 JEEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@H](C)c2nc(C(C)C)no2)CC1 1705725868 VWVSKLRLVCQKCV-SJORKVTESA-N 463.608 2.146 30 10 JEEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](OCc2cccc(OC)c2)C1 1705747681 RSVYUVRVBPBKKX-CRAIPNDOSA-N 469.995 2.445 30 10 JEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)N2CCCC2)CC1 1705890953 RJHOLOGQIWZSLD-SFHVURJKSA-N 475.594 2.110 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC[C@@H](C(N)=O)C1 1705906988 WSQKSQGZONXKBC-CYBMUJFWSA-N 467.357 2.168 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC[C@@H](Nc3ccccc3)C2)nnc1[C@]1(OCC)CCOC1 1705909369 VCVIFEMQRRUAQU-YKSBVNFPSA-N 454.575 2.313 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCCN(CC)C(=O)C1 1705930425 MWUBWDVLZZADPC-QGZVFWFLSA-N 479.578 2.217 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc(COc2ccccc2F)n1CCS(=O)(=O)N1CCSCC1 1706751057 FEUOKQXGOAUATK-INIZCTEOSA-N 482.607 2.113 30 10 JEEE C[C@H]1[C@H](C)CCN1c1nnc(COc2ccc(C#N)cc2)n1CCNS(=O)(=O)Cc1ccon1 1708133557 BMOJOFXDODPPJY-SJORKVTESA-N 485.570 2.071 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H](C)CNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1722359792 BCFRPDPRUGPHAX-QZTJIDSGSA-N 488.614 2.128 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)c1cccc(OC)c1 1722429529 SIWZWWFOZBSIAG-GOSISDBHSA-N 460.600 2.253 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)ccc3Br)n2C[C@H](F)COC)CC1 1722434223 NSJURNGGZYYOIA-HNNXBMFYSA-N 466.355 2.456 30 10 JEEE C=CCCOCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H]1CCOC1 1722629837 OPYJMTJYTRVQNO-ROUUACIJSA-N 451.568 2.404 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)N(C)C 1722682045 WQQTVQRMBWSYAK-QZTJIDSGSA-N 452.600 2.175 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 1722727441 IOAGSSVAIJCMAD-GOSISDBHSA-N 490.586 2.008 30 10 JEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](COc2ccccc2)C1 1722738539 KSQWGQPLSFCMST-AZUAARDMSA-N 478.640 2.384 30 10 JEEE CCCn1nc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@H](COC)OC)c2ccccc2c1=O 1728162246 GKZSJHYPDXCQQQ-QMHKHESXSA-N 469.521 2.168 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cn3nc(C)cc3C)n2C[C@@](C)(O)C2CC2)c1 1740565657 ZIPZXIGXHZOHKF-RUZDIDTESA-N 461.570 2.357 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@@H](C)c1nc(C)cs1)[C@H]1CCS(=O)(=O)C1 1740616524 CDAVDSDUNZFBSI-NRJQMVOHSA-N 493.655 2.126 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1[C@@H]1C[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1740618557 IZFYTFSZJLCBDJ-USXIJHARSA-N 460.556 2.179 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCc1cccc(C(=O)NC)c1)[C@@H]1CCS(=O)(=O)C1 1740618799 KIYSFWJSLAJAMM-HXUWFJFHSA-N 481.578 2.076 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1CCN(CCC)C1)[C@@H]1CCS(=O)(=O)C1 1740626815 WJANTELZAMBXPO-IFMALSPDSA-N 473.618 2.367 30 10 JEEE C#CCN(c1nnc(COc2ccccc2OC)n1C[C@@H]1CCSC1)[C@H]1CCS(=O)(=O)C1 1740627753 KHGMKZLRMABHOQ-ROUUACIJSA-N 476.624 2.246 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccnc2)n1C[C@@H]1C[C@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1740683890 QOUVOCBROFPFDV-PCCBWWKXSA-N 482.585 2.451 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC2(O)CCCC2)CC1 1740694918 XPVJKGAGWWBTGW-HXUWFJFHSA-N 472.634 2.453 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3)n2CC[C@@H]2COCCO2)CC1 1740697537 IJGFDLSBVJFBEH-LJQANCHMSA-N 460.376 2.268 30 10 JEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](COc2ccccc2)C1 1740720468 ZMXZCSHSDNIADQ-FQEVSTJZSA-N 455.584 2.051 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(OC[C@H]2CCOC2)CC1 1740751200 ZBGSKFUJXSOGNQ-ZVDOUQERSA-N 461.607 2.419 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1740760078 GOQKZLFQKZIKCA-CBZIJGRNSA-N 456.513 2.283 30 10 JEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1740887573 KEBMYYKPBFULJB-RTWAWAEBSA-N 471.583 2.222 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CCC(=O)NC(C)(C)C)C1 1740983295 FWDVZHZQVIVLGP-MRXNPFEDSA-N 460.604 2.356 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCN(c2ncccc2F)CC1 1740990251 NSCHNZPDDUMARG-UHFFFAOYSA-N 471.562 2.110 30 10 JEEE CC[C@@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1743886609 AZUHDOQHSHLESB-APWZRJJASA-N 458.588 2.135 30 10 JEEE C#CCN(C)c1nnc(Cc2cn3ccccc3n2)n1CCOc1ccc(S(C)(=O)=O)cc1 1748793597 MJBYUIYFLUHVOJ-UHFFFAOYSA-N 464.551 2.069 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2cccc(C)c2C)n1CC1(O)CC1)[C@@H]1CCS(=O)(=O)C1 1748806035 YZMGVDJNWRUPPB-RBUKOAKNSA-N 458.584 2.187 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Cl)n1C[C@@H]1CCCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 1748808669 FUQLCPLKSJXGNQ-DLBZAZTESA-N 497.042 2.050 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@H]1CCCN1CC)[C@@H]1CCS(=O)(=O)C1 1748818655 CXXZIXGEFJDJKL-WOJBJXKFSA-N 459.591 2.119 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(NC(=O)N(C)C)cc2)CC1 1748989717 CEEAEXMYRLALLC-HXUWFJFHSA-N 451.575 2.069 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCOc2cccc(C)c2)CC1 1749003631 QBGWBHUTLLCHIX-SANMLTNESA-N 481.597 2.283 30 10 JEEE C#CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1749037776 INQWIVGYXPEFNS-DENIHFKCSA-N 498.653 2.194 30 10 JEEE C=CCN(Cc1cccs1)c1nnc(-c2cnccn2)n1CCN1CCN(C(C)=O)CC1 1749550638 FRLOONRVYLRKCN-UHFFFAOYSA-N 452.588 2.153 30 10 JEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2ccc(Cl)s2)C1 1749630131 OTGAWGAWEPWAED-KBPBESRZSA-N 474.008 2.090 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 1749667292 XISWODVGAYFGSZ-GOSISDBHSA-N 457.897 2.408 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccc(C(OC)OC)c2)C1 1749713702 WXXVBPSKRASZQW-PMACEKPBSA-N 476.599 2.301 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1749732540 YNCUZBCKVLKGED-IBGZPJMESA-N 492.690 2.106 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1749736855 QSSCWHIHKYPLDD-IBGZPJMESA-N 479.578 2.324 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCN(C)c1ccccc1 1750965215 HJHISBLUCXECII-UHFFFAOYSA-N 473.585 2.146 30 10 JEEE C#CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1760144159 GITKWYCTVUJPNO-JOCHJYFZSA-N 477.613 2.303 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CSCCS1)[C@H]1CCS(=O)(=O)C1 1760182276 DULGOAAUOKUFPN-RBUKOAKNSA-N 473.649 2.292 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CCCN(C)CC(F)(F)F)CC1 1760271735 JOHSMQTYTDNHAK-UHFFFAOYSA-N 477.535 2.114 30 10 JEEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1760359288 DTQKGNPMGHYKDH-OAQYLSRUSA-N 457.623 2.422 30 10 JEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CN(Cc3ccccc3)CCCO2)CC1 1760382389 PEDMBKYORLEPFT-IRLDBZIGSA-N 488.658 2.336 30 10 JEEE C=CCCOCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC(C(=O)NC)CC1 1760448119 WLEZCOVERJBWMC-UHFFFAOYSA-N 489.646 2.102 30 10 JEEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1760513431 CPCPANYEOOWZLI-UHFFFAOYSA-N 486.623 2.108 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1760520710 XOFVYSKWSRZEFB-IAGOWNOFSA-N 474.993 2.268 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2c[nH]c3ccccc23)nnc1N(C)Cc1cnccn1 1760556768 PIOSKHAUCWGCBG-UHFFFAOYSA-N 451.556 2.377 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CC[C@H](C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1760558505 QPXTZLXDYMNBIQ-YESZJQIVSA-N 453.609 2.496 30 10 JEEE C[C@@H](CS(=O)(=O)Nc1cccc(C#N)c1)C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 1858111447 OKAWFMJIEHYLDG-KRWDZBQOSA-N 470.551 2.009 30 10 JEEE CN(c1ccc(NS(=O)(=O)c2ccccc2C#N)cn1)S(=O)(=O)c1ccc2c(c1)oc(=O)n2C 1858272558 VHXZHTYINHWNKD-UHFFFAOYSA-N 499.530 2.024 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@@H]2c2ccccc2C(=O)O)cc1C 1862407297 LAYCPWPRTWATGP-HXUWFJFHSA-N 452.463 2.416 30 10 JEEE COc1cc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCNC(C)=O)cc(Cl)c1O 1862599503 HTBZJNMGSUMKAP-GOSISDBHSA-N 460.870 2.474 30 10 JEEE C=CCN(CC=C)c1nc(NC(=O)/C=C/c2ccc(C(=O)OC)cc2)n([C@@H]2CCS(=O)(=O)C2)n1 1870004695 IAXKVLJDCYVQQU-UFUQCMIWSA-N 485.566 2.255 30 10 JEEE COc1cc(C(=O)Nc2c(C#N)nnn2-c2cc(OC)c(OC)c(OC)c2)c([N+](=O)[O-])cc1OC 1870156869 GCSNDUZGOPFJSC-UHFFFAOYSA-N 484.425 2.342 30 10 JEEE C=CCN(CC=C)c1nc(=NCCN2C(=O)CSC2=O)[nH]c(=Nc2ccccc2CC)[nH]1 1871560151 CMFMHGKKPSMMDB-UHFFFAOYSA-N 453.572 2.307 30 10 JEEE C#CCN(C[C@]1(O)COCCN(C(=O)OC(C)(C)C)C1)C1CCN(C(=O)OC(C)(C)C)CC1 2106635813 BHXRLAYCRXWJAB-XMMPIXPASA-N 467.607 2.320 30 10 JEEE COC[C@@]1(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CCCN1C(=O)OC(C)(C)C 2180991021 IPVUJXBAABLDOD-JOCHJYFZSA-N 462.356 2.130 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N[C@@H]2[C@@H](NC(=O)OC(C)(C)C)C[C@H]2OCC)C1 2255160693 SHKIXLKPGWSHPH-MXVKAMRISA-N 451.564 2.480 30 10 JEEE CC1(C)OB(c2cc(C(=O)NC3CC4(C3)C[C@H]4NC(=O)OCc3ccccc3)[nH]n2)OC1(C)C 2255829899 XCXIRQGJPSLSPT-COYKAVQBSA-N 466.347 2.286 30 10 JEEE CC(C)(C)OC(=O)N1CCOCCN1S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2255947575 BEKPQHYPLHJVFB-UHFFFAOYSA-N 474.410 2.220 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)sc1CNC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)O 2256626149 GOCMKQKKXMDMDP-XJKSGUPXSA-N 454.398 2.246 30 10 JEEE CC(C)(C)OC(=O)N1CC(OCC(=O)NCc2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2256668678 DSVKTENVWRBJAZ-UHFFFAOYSA-N 452.382 2.299 30 10 JEEE CC(C)(C)OC(=O)NC[C@H](CO)C(=O)Nc1nc(B2OC(C)(C)C(C)(C)O2)ccc1Cl 2256669453 PLRKRBDMGUPJLZ-GFCCVEGCSA-N 455.748 2.106 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](OCC(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C1 2256681193 IEZZKMXAVLLGOH-CYBMUJFWSA-N 453.370 2.407 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CC[S@](=O)(=NC(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)C1 2266998526 RLWFYRJSERGVSB-ORCIVFGKSA-N 465.381 2.286 30 10 JEEE CC(C)(CNC(=O)OC(C)(C)C)CNS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2267411124 ULQBXBKJROUTFA-UHFFFAOYSA-N 469.413 2.210 30 10 JEEE COCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2268637172 KHOALDYGRWGIPA-HNNXBMFYSA-N 469.413 2.378 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@H]2[C@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2268651024 MWPRLNRWPICLTQ-MJBXVCDLSA-N 464.397 2.233 30 10 JEEE CC(C)(C)OC(=O)N1CC(O)(CC(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)c(F)c2)C1 2268657829 LPYXNQPEMHTSQQ-UHFFFAOYSA-N 450.316 2.435 30 10 JEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N(CCNC(=O)OC(C)(C)C)C[C@@H](C)O 2269899861 GDCOJYODHTTWLV-CQSZACIVSA-N 452.357 2.235 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](NC(=O)c2cc(F)ccc2B2OC(C)(C)C(C)(C)O2)C1 2281775474 FYLNSPIVZPDDEE-ZWKOTPCHSA-N 464.343 2.225 30 10 JEEE CC(C)n1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1C[C@H]2C[C@H]1CN2C(=O)C(F)(F)F 2281816945 FHVRUQGVRKSMTC-LSDHHAIUSA-N 455.286 2.356 30 10 JEEE Cc1nsc(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 2281974690 YJSAEBSUHSIYSZ-MIGQKNRLSA-N 479.408 2.161 30 10 JEEE Cc1nn(C)c(C(=O)NC[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2281990101 IXXDANMXHYOOGT-HZPDHXFCSA-N 462.400 2.451 30 10 JEEE CC(C)(C)OC(=O)N(CCO)C1CCN(C(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)CC1 2282002875 VCWIBIBOUBSOCW-UHFFFAOYSA-N 481.424 2.276 30 10 JEEE Cn1cc(C(=O)N2CCCCC23CN(C(=O)OC(C)(C)C)C3)nc1B1OC(C)(C)C(C)(C)O1 2282034125 DAAVIPCHPHTMCM-UHFFFAOYSA-N 460.384 2.335 30 10 JEEE Cc1cc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2CO)oc1B1OC(C)(C)C(C)(C)O1 2282059456 IVFBAIGZFZDAGB-JKSUJKDBSA-N 464.368 2.235 30 10 JEEE C[C@@H]1CCN(C(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)[C@H](C)[C@@H]1NC(=O)C(F)(F)F 2282180568 VDHJYPRQZHGYSP-UMVBOHGHSA-N 455.286 2.298 30 10 JEEE CC(C)(C)OC(=O)N1CC(O)(CCNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)c(F)c2)C1 2282474440 AGSBOTFBPNVZTK-UHFFFAOYSA-N 464.343 2.227 30 10 JEEE CC(C)(C)OC(=O)N1CC(CCO)(NC(=O)c2ccc(F)c(B3OC(C)(C)C(C)(C)O3)c2)C1 2282475541 QDNSHRRCVYUYRR-UHFFFAOYSA-N 464.343 2.227 30 10 JEEE CC(C)(C)OC(=O)N1CCN(CCCNC(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)CC1 2282526889 VWZLONXJYLXQQZ-UHFFFAOYSA-N 480.440 2.115 30 10 JEEE CN(C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)[C@@H](CNC(=O)OC(C)(C)C)C(F)(F)F 2282550746 CUPIVLJZRADNJZ-ZDUSSCGKSA-N 476.305 2.247 30 10 JEEE Cc1nn(C)c(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)c1B1OC(C)(C)C(C)(C)O1 2282586236 WIHNTPNOOLPEFX-HOCLYGCPSA-N 462.400 2.403 30 10 JEEE CN(C[C@@H]1CCCN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1)C(=O)OC(C)(C)C 2282628527 OMLFMGISFGNRME-INIZCTEOSA-N 460.384 2.495 30 10 JEEE Cn1nc(C(=O)N2CCC[C@@H](CCNC(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2282628895 QOPJUQCKRKBGIO-INIZCTEOSA-N 462.400 2.486 30 10 JEEE CC(C)(C)OC(=O)NC1CN(CC(=O)N2CCc3cccc(B4OC(C)(C)C(C)(C)O4)c32)C1 2283952465 ITOJGDWRHQHMNV-UHFFFAOYSA-N 457.380 2.084 30 10 JEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)NCc1ccccc1B1OC(C)(C)C(C)(C)O1 2284060535 OONQMGCOLFYHPK-IEBWSBKVSA-N 460.380 2.484 30 10 JEEE CC(C)(C)OC(=O)N(CC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1)C[C@H]1CCCO1 2288016887 NEJMKIKYNYZEFG-MRXNPFEDSA-N 462.356 2.130 30 10 JEEE COc1ccc(N2C[C@@H](c3nnc(SCC(N)=O)n3N=Cc3ccccc3F)CC2=O)cc1 2325880796 YFZNINDVUJXSGH-HNNXBMFYSA-N 468.514 2.406 30 10 JEEE COc1ccc(OCCCc2nnc(SCC(N)=O)n2N=Cc2ccc(O)cc2O)cc1 2326252012 GIFGHFOQGVWNEO-UHFFFAOYSA-N 457.512 2.169 30 10 JEEE CC(C)N1C[C@H](c2nnc(SCC(=O)NCc3ccco3)n2N=Cc2cccnc2)CC1=O 2329021280 WKJKHELFUWDMTG-QGZVFWFLSA-N 467.555 2.281 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(C)CC(C)(C)NC(=O)OC(C)(C)C)n1C 2337187893 KJBDKOUIEULFOG-UHFFFAOYSA-N 450.389 2.403 30 10 JEEE Cc1scc(C(=O)N2C[C@H](O)C[C@H]2CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2343487537 WBULSOABNWBTOB-LSDHHAIUSA-N 466.409 2.456 30 10 JEEE Cn1cc(C(=O)N[C@H]2C[C@@H]3C[C@@H](NC(=O)OC(C)(C)C)[C@@H]3C2)nc1B1OC(C)(C)C(C)(C)O1 2359278040 QNYJYYKZLXRDKY-QKPAOTATSA-N 460.384 2.141 30 10 JEEE CC(C)[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2362348162 NRQHKENKBQQETN-INIZCTEOSA-N 462.400 2.437 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)[C@]2(CCOC2)C1 2362579475 ZQERJNZCONWBJI-RCDICMHDSA-N 479.408 2.341 30 10 JEEE CC1(C)OB(c2ccccc2CS(=O)(=O)N[C@@H](CCO)COCc2ccccc2)OC1(C)C 2369622645 YRRLJZGMUKOCEM-NRFANRHFSA-N 475.416 2.373 30 10 JEEE CCOc1cc(C=NNS(=O)(=O)c2ccc(OC)cc2)ccc1OCCN1CCOCC1 13154245 BEIAJQLZVSOUFR-UHFFFAOYSA-N 463.556 2.117 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)Cn3cnc4sc(C(=O)OCCOC)c(C)c4c3=O)cc21 19978034 UKSMYIQERNFUJI-UHFFFAOYSA-N 497.529 2.364 30 10 JEEE CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CCOCCO)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 103115763 URFSAAOPOWVASP-LCPUNJGISA-N 456.451 2.424 30 10 JEEE N#Cc1cccnc1N1CCN(C(=O)CCNC(=O)c2cc(F)ccc2Br)CC1 107932844 KJERIZLMKQBHLP-UHFFFAOYSA-N 460.307 2.324 30 10 JEEE COC(=O)c1ccc([C@@H]2/C(=C(/O)c3cccs3)C(=O)C(=O)N2[C@H]2CCS(=O)(=O)C2)cc1 254813059 PUAHSSGMDPQGAD-FTXAMDISSA-N 461.517 2.144 30 10 JEEE CC#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NO[C@@H](COC)C(=O)O 757202844 VGGPSLWRUHRGJO-VXKWHMMOSA-N 466.490 2.455 30 10 JEEE C=CCCOCCNC(=O)c1cc(Br)cn(CCNC(=O)OC(C)(C)C)c1=O 1153561494 SOQIEKPEHSDVLW-UHFFFAOYSA-N 458.353 2.458 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)NCc2cn(C)nc2-c2ccc(C#N)cc2)ccc1F 1268927241 GLEZMDNFYKXLPT-UHFFFAOYSA-N 453.499 2.492 30 10 JEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCOC[C@H]1CCCO1 1286362177 CWFDPHHXTVPKOA-GOSISDBHSA-N 460.604 2.202 30 10 JEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1ccc(NC(N)=O)cc1 1286363204 OWXMJOVOEXMTAH-UHFFFAOYSA-N 466.571 2.155 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CCCc1nccs1)[C@H]1CCS(=O)(=O)C1 1286395778 NGNKMYIELIZNKP-IBGZPJMESA-N 496.618 2.445 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](OCc2ccccc2)C1 1286509214 OBXRCGOCOKVQSF-PMACEKPBSA-N 460.625 2.342 30 10 JEEE C=CC[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CNS(C)(=O)=O)CC1)c1ccccc1 1286678975 HWTKKWIYKYXSTD-NHCUHLMSSA-N 486.642 2.355 30 10 JEEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 1286699876 IFDMIFSAPJEBSG-LJQANCHMSA-N 493.655 2.047 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(Cc2csc(CC)n2)CC1 1286819320 GVKOFSOHACOBCH-UHFFFAOYSA-N 464.661 2.488 30 10 JEEE C=CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1286827406 MWVHLBQUNHDMBB-UHFFFAOYSA-N 490.033 2.184 30 10 JEEE CC(C)[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1287152565 DWHUKVFPLGRAIA-UGKGYDQZSA-N 461.588 2.149 30 10 JEEE C[C@](O)(Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C(N)=O)C1)c1cccs1 1288904379 GVIUJNWTUALYIH-AOMKIAJQSA-N 452.540 2.010 30 10 JEEE C#CCCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1300413143 PFHREKMTVXPTLX-UHFFFAOYSA-N 465.533 2.479 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC1(Cc2ccc(F)cc2)CC1)[C@H]1CCS(=O)(=O)C1 1300479156 JIUQWJLZIBUXPO-FQEVSTJZSA-N 487.601 2.205 30 10 JEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H](F)COC)[C@H]1CCS(=O)(=O)C1 1300499065 PAYMYBVTGVAFRI-MSOLQXFVSA-N 454.955 2.134 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@H]1CCCCS1(=O)=O 1300527084 BBAVFMOTHFSQAR-IBGZPJMESA-N 492.605 2.276 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)c1cccs1 1300631655 VECVGHCOIUVKDA-INIZCTEOSA-N 451.618 2.110 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccnc(SC)c1 1300916192 UNKAICZYMVCDDE-KRWDZBQOSA-N 466.633 2.179 30 10 JEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 1301197392 RZINLXURINSDCF-KRWDZBQOSA-N 452.625 2.226 30 10 JEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 1301508514 NDZATRILDHOGJZ-QGZVFWFLSA-N 473.647 2.315 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1301586471 MGLBZYWAUILBFU-LJQANCHMSA-N 471.587 2.015 30 10 JEEE CC(C)(C)OC1CC(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)C1 1302297380 BZLLBJCSJSMHEO-PNXXNBOHSA-N 498.625 2.037 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1ccc(OCCN(C)C)cc1 1303846838 CHVSXJMXCIOYON-WZONZLPQSA-N 489.646 2.007 30 10 JEEE Cc1cccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@H](C(C)C)N2CCOCC2)c1 1304512237 GKGQTGZRHIZPJA-FGZHOGPDSA-N 454.575 2.251 30 10 JEEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)c2cccs2)C[C@H]1OC 1316333736 GNAZPGKNPDQWNO-KDURUIRLSA-N 482.566 2.070 30 10 JEEE C[C@H]1CN(CCN(C)c2nnc(COc3ccc(C#N)cc3)n2CC2(C(N)=O)CCCC2)C[C@@H](C)O1 1316504310 CQOYVARASLRWCG-BGYRXZFFSA-N 495.628 2.320 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H](C(C)C)N1CCOCC1 1358885932 UNFBAODENHFXMV-GHTZIAJQSA-N 463.586 2.007 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2ccccc2C)CC1 1358889923 IZMSLLIPKRRKKG-ICSRJNTNSA-N 457.600 2.109 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccc(C)n3)n2C[C@H](C)N2CCOCC2)c1 1358902259 IWMPUDKAYSDOOW-FQEVSTJZSA-N 473.581 2.425 30 10 JEEE C#CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCN2C(=O)NC[C@H]2C1 1358924449 WWJPLSGKFXWZRP-HNNXBMFYSA-N 459.348 2.343 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CCc1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 1358957521 VPESFMJOCUNRLQ-XXBNENTESA-N 493.029 2.453 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cc2c(cc1OC(F)F)OCO2 1358992345 IVHVBOIWWOTZBU-OAHLLOKOSA-N 457.437 2.071 30 10 JEEE C#CCN1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2C[C@H](OC)[C@@H](C)CC)CC1 1359034478 RWJXBAHQGILJDW-RXVVDRJESA-N 463.586 2.008 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@]2(O)CCSC2)CC1 1359042678 PLGFZJDYDYUDPF-RUZDIDTESA-N 499.637 2.186 30 10 JEEE C=C(Br)Cn1c(Cc2cccnc2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1359085296 ILMRSJQHLRIYFK-UZLBHIALSA-N 488.434 2.161 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)COC)CC1 1359093247 LJSKJICJGLFFEZ-DENIHFKCSA-N 455.559 2.230 30 10 JEEE C=C(C)COCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1359129979 UJLCFNPXELXUDS-NRFANRHFSA-N 455.559 2.374 30 10 JEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(-c3n[nH]c(C)n3)cc2)CC1 1359174235 YMXMQVNIVHZBNI-HNNXBMFYSA-N 470.603 2.433 30 10 JEEE C=CCN(c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1nncn1CC)C1CC1 1359248075 ZLAFRZRXMJJVKM-UHFFFAOYSA-N 456.576 2.010 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC(CO)(Cc2ccccc2)CC1 1359302295 BQAIAWHKHPSUES-UHFFFAOYSA-N 460.582 2.388 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N(C)CC(=O)Nc1cccc(Cl)c1 1359302794 UQVUFDVIVDBITP-UHFFFAOYSA-N 453.934 2.294 30 10 JEEE C=CCNC(=O)Cn1c(N2CC=C(c3ccc(O)cc3)CC2)nnc1[C@]1(OCC)CCOC1 1359306193 YUAAXLACDLXKDE-DEOSSOPVSA-N 453.543 2.232 30 10 JEEE CC(C)C[C@](C)(CNC(=O)OC(C)(C)C)NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1435241656 DSLKRLIGRPNFFA-OAQYLSRUSA-N 452.577 2.171 30 10 JEEE C#CCOCCN(C)C(=O)c1cccc(NC(=O)C[C@@H]2SC(N3CCCCC3)=NC2=O)c1 1457392889 FGBBOHUZDBVABB-IBGZPJMESA-N 456.568 2.221 30 10 JEEE COc1cc(F)c(Br)cc1S(=O)(=O)N1CCN(c2ccc(C#N)cn2)CC1 1462886129 IBXSHLGMYPBZSZ-UHFFFAOYSA-N 455.309 2.374 30 10 JEEE N#CCC1(CS(=O)(=O)N2CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)CC1 1474815886 CZTWXLNANVIDIH-UHFFFAOYSA-N 452.385 2.323 30 10 JEEE CCC(O)(CC)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1497431228 HQZIVEUCVQLAFV-UHFFFAOYSA-N 474.569 2.188 30 10 JEEE CCN1CCN([C@@H](C)Cn2c(-c3ccc4c(c3)OCCO4)nnc2N(C)[C@H](C)CC#N)CC1 1502310729 FKPZOBKCEGXSDH-MOPGFXCFSA-N 453.591 2.481 30 10 JEEE C#CCN(C)c1nnc(-c2ccccc2Br)n1CCN/C(O)=C1/N=CC=CC1=O 1507611799 MOSQFXMBTJRUTQ-ZPHPHTNESA-N 455.316 2.303 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1C[C@@H](C)CN1CCOCC1)[C@H]1CCS(=O)(=O)C1 1507626735 GVOFUEDTGZPWKT-REWPJTCUSA-N 485.654 2.103 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@H]1CC[C@H](CO)O1)[C@@H]1CCS(=O)(=O)C1 1507627546 KFKNCPWIJMXTPP-IXDOHACOSA-N 499.420 2.419 30 10 JEEE C#CCN(c1nnc([C@@H](CC)c2ccccc2)n1CCN1CCSCC1)[C@@H]1CCS(=O)(=O)C1 1507628157 VFAZXRPHWRZVNR-YADHBBJMSA-N 487.695 2.496 30 10 JEEE C#CCN(c1nnc(C2CCCC2)n1Cc1cccc(OCC(=O)N(C)C)c1)[C@H]1CCS(=O)(=O)C1 1507631635 FQUCLXVCCYYWMU-NRFANRHFSA-N 499.637 2.078 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@@H]1CC=CCO1)[C@H]1CCS(=O)(=O)C1 1507640072 ONSUHPIIVIOXLL-FPOVZHCZSA-N 456.568 2.137 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2CCc2noc(CC)n2)CC1 1507741053 KCAIXRVDLYNIHO-UHFFFAOYSA-N 481.532 2.150 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCCN(c2nccs2)CC1 1507744676 VCAVLZNHWCFXND-UHFFFAOYSA-N 468.612 2.465 30 10 JEEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(Nc2cccnn2)CC1 1507759123 BBLZXADYQTWQBH-PXNSSMCTSA-N 457.604 2.239 30 10 JEEE C=CCCOCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(CC(F)(F)F)CC1 1507960480 TZGZNNSKMCPROA-UHFFFAOYSA-N 477.495 2.198 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2Cl)nnc1N(C)C[C@H](C)C(=O)NC 1508078412 YFAPNGIWIKBLBS-LBPRGKRZSA-N 483.798 2.482 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1C[C@H](C)O[C@H](CC)C1 1508141291 USEFCMXVIXRTGG-JKSUJKDBSA-N 472.571 2.198 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2CCNC(=O)C(C)(C)C)CC1 1539476476 XVKGLERGRWSFPS-UHFFFAOYSA-N 450.587 2.382 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCN(C)C(=O)OC(C)(C)C)CC1 1539482205 RVKZFQPZUHTFQO-IBGZPJMESA-N 474.606 2.005 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)CC1 1539482603 NJOZLMWNCIQEPC-PMACEKPBSA-N 458.651 2.330 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CCc2cccc(OC)c2)CC1 1539484599 WHCWIIOLRJANRZ-UHFFFAOYSA-N 458.566 2.481 30 10 JEEE C=CCCOCCn1c(-c2cc(Br)cn2C)nnc1N1C[C@H](OC)[C@H](OC)C1 1540020809 NRSAVTVYBAZEJM-CALCHBBNSA-N 454.369 2.489 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(Br)n1 1540154956 HPBUMJKIPZRWBG-CYBMUJFWSA-N 455.382 2.273 30 10 JEEE C#CC[C@]1(C(=O)N2CCN([C@H](C(N)=O)c3ccccc3)CC2)CCCN1C(=O)OC(C)(C)C 1540549088 BSXMRFIEVPJMSS-NBGIEHNGSA-N 454.571 2.150 30 10 JEEE C=CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1540857055 UBEWPBNLHLWAHU-UHFFFAOYSA-N 460.608 2.008 30 10 JEEE C[C@@H]1CCCCN1CCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1 1544022780 AACDJAQKHJYTNG-TZIWHRDSSA-N 493.678 2.006 30 10 JEEE CNC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2F)CCN1c1ccc(C#N)c(C(F)(F)F)c1 1548367647 CBNFLLYXIOWLOL-KRWDZBQOSA-N 470.448 2.342 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CC2(COC)CCC2)c1 1587683112 BNSGXZFAIHPDJW-UHFFFAOYSA-N 452.559 2.289 30 10 JEEE C#CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1587831715 SDAOABIMSLJKQX-QGZVFWFLSA-N 461.588 2.141 30 10 JEEE C#CCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1587904786 OHKKONSVOQUAQR-NRFANRHFSA-N 465.602 2.159 30 10 JEEE C#CCN(c1nnc(C2(c3ccccc3)CCC2)n1CC[S@@](=O)CC)[C@@H]1CCS(=O)(=O)C1 1588034741 LEMUSHQTUOUHLH-QJWGWKRISA-N 474.652 2.143 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@@H]1CCC[C@H](O)C1)[C@@H]1CCS(=O)(=O)C1 1588039991 HFAVGVIHHZACLJ-RLLQIKCJSA-N 458.584 2.132 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H](COC)OC)[C@@H]1CCS(=O)(=O)C1 1588040928 SCSTYUVYQIZFGY-CVEARBPZSA-N 470.954 2.026 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@](C)(O)[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1588041533 XJIQHFPHNOFMPX-RHGYRFJNSA-N 490.626 2.386 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC(=O)N(C)Cc2ccccc2)CC1 1588780365 NEKKOSXWKHMPSE-UHFFFAOYSA-N 463.973 2.407 30 10 JEEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1589053316 NAWXBFQYIPEWTC-RTBURBONSA-N 456.616 2.382 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2cnccn2)CC1 1589484161 RMIPXAAVFJLDPC-WIYYLYMNSA-N 468.606 2.294 30 10 JEEE C=C(Cl)Cn1c(N2C[C@H](C(=O)NCCOC)CC[C@@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 1593932325 HBIRFAAUEIKGGM-NJNPRVFISA-N 470.014 2.439 30 10 JEEE C=CCCOCCn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1594812574 HQAFTPONKXTCLK-RTBURBONSA-N 453.609 2.117 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC1(O)CCOCC1 1595161874 OESFKFMSNWOQRL-KRWDZBQOSA-N 466.629 2.366 30 10 JEEE C=CCOc1ccccc1Cn1c(CC)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1595659474 ZNLOCJYJUMABMF-UHFFFAOYSA-N 485.614 2.006 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N(C)CC(=O)Nc1cccc(Cl)c1 1595789244 PXONSKORJNKHRX-UHFFFAOYSA-N 475.962 2.064 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1595804905 HVPCUAUBNSZEEJ-UHFFFAOYSA-N 494.706 2.038 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCSC[C@@H]1C 1595805873 WVRMNSPUZZZPHU-MAUKXSAKSA-N 450.586 2.333 30 10 JEEE CC(=O)NC1CCC(N(C)c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCOCC2)CC1 1596377630 GMAZMOHIJVAHHY-UHFFFAOYSA-N 465.602 2.423 30 10 JEEE C=C(Cl)C[C@H](NS(=O)(=O)c1cc2nc(O)[nH]c2cc1Br)C(=O)OCC 1622450149 KMJVWLJPPRMJRH-NSHDSACASA-N 452.714 2.384 30 10 JEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2C[C@H](CC(=O)N(C)C)c3cc(Cl)ccc32)cc1 1629666172 KFOXWILQKWROTG-INIZCTEOSA-N 459.955 2.474 30 10 JEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@@H](CO)c3cccc(F)c3)nnc12 1638548745 RWOLAFQVSPYXCA-KRWDZBQOSA-N 453.499 2.311 30 10 JEEE C=C(C)CN(Cc1ccccc1)C(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 1674100302 ZFCTWFUETGAOET-UHFFFAOYSA-N 457.600 2.321 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cccn(CC)c1=O 1689853635 WTJCTZCQNIUZPB-HKUYNNGSSA-N 470.574 2.274 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](c2nc(CC)cs2)C1 1689930328 PHUKTMNMDUFMID-PKOBYXMFSA-N 492.671 2.427 30 10 JEEE C#CCN(c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCCC)[C@@H]1CCS(=O)(=O)C1 1689991343 ZWIVLGJQUNTUNH-RTBURBONSA-N 495.646 2.403 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[C@@H]2CCO[C@H](C)C2)CC1 1690114605 ABOJSYPARVKALH-WOJBJXKFSA-N 471.627 2.309 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2CCC(=O)NCCC)CC1 1690150610 NZILSTVGOWOFLO-UHFFFAOYSA-N 475.597 2.232 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2cccc(C)c2)CC1 1690313456 UWIXJWWDTSWBLZ-JOCHJYFZSA-N 473.643 2.404 30 10 JEEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(c2nccc(OCC)n2)CC1 1690484717 BUIAQGGDOMOARD-SFHVURJKSA-N 475.619 2.052 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1690682527 RDUHKVUGEUXLAY-MOPGFXCFSA-N 452.559 2.337 30 10 JEEE Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@](C)(O)c2cccc(Cl)c2)n1 1693428831 CGTNTDLARVBIMS-DENIHFKCSA-N 455.950 2.430 30 10 JEEE CCOc1ccc(O[C@@H](C)c2nnc(N3CCO[C@@H](C#N)C3)n2CCc2n[nH]c(C)n2)cc1 1696137333 BLCPZAGUURWXLH-KXBFYZLASA-N 452.519 2.215 30 10 JEEE CN(C)CCN1CCC(Cn2c(CCCc3ccccc3)nnc2N2CCO[C@@H](C#N)C2)CC1 1696618287 BSPYBCMOBGHBEJ-DEOSSOPVSA-N 465.646 2.456 30 10 JEEE COc1ccccc1SCc1nnc(N2CCO[C@@H](C#N)C2)n1CCN1CCOC[C@H]1C 1697627673 CYHUZPJFMXYODH-MSOLQXFVSA-N 458.588 2.028 30 10 JEEE CS(=O)(=O)CCCn1c(-c2cccnc2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1698303996 FMYRBHBAMGASFD-UHFFFAOYSA-N 469.546 2.112 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1705494555 BXPUIKDZNBOKAH-IPJJNNNSSA-N 466.586 2.191 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CCCN1CCCO 1705504977 FRVMQNZWRYNKBT-YSTOQKLRSA-N 460.623 2.354 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2CC(=O)NCc2ccco2)c1 1705507112 RMIZUNQWHBYYFH-UHFFFAOYSA-N 483.532 2.230 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCCOC[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 1705563307 UWNAXGOIWRDKRY-FCHUYYIVSA-N 483.594 2.029 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@@H]1CCCN1CC)[C@@H]1CCS(=O)(=O)C1 1705563691 CQVNVQARUUJRIX-RBUKOAKNSA-N 457.600 2.065 30 10 JEEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC(=O)NCC(F)(F)F 1705581412 AVPSTCRDJVWQAR-UHFFFAOYSA-N 482.507 2.144 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@H]2CCCN(C(C)C)C2)CC1 1705650766 YAFMLSWEJZBUAW-QFIPXVFZSA-N 463.630 2.350 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](c2ccccc2)N(C)C)C1 1705925538 QJAZVNZDOFSOQL-NJDAHSKKSA-N 459.616 2.264 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2ccc(Cl)cc2)C1 1705934517 ONASYDDLEYFGPD-ROUUACIJSA-N 479.990 2.061 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1705937558 XOBUBJUWIHYUOI-UHFFFAOYSA-N 460.560 2.066 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H]1CCOC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1722361956 LBJRFVXCPYQJKS-FHWLQOOXSA-N 488.610 2.262 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1CCN(C)[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1722362775 OQJJIJVZMFGWQD-UYAOXDASSA-N 487.626 2.073 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCO[C@@H]1C(=C)C)[C@H]1CCS(=O)(=O)C1 1722370244 BBCXARJFWNSOPW-AWRGLXIESA-N 495.605 2.337 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1722419072 MRWISFIIFAUXLH-QGZVFWFLSA-N 471.562 2.267 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC2CCN(C(=O)OC)CC2)CC1 1722434900 ZMORKVKDZYDDEZ-UHFFFAOYSA-N 457.966 2.227 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1722511139 XBBNGERPNOJYAP-RDGATRHJSA-N 481.645 2.236 30 10 JEEE C=C(C)CN(CC)c1nnc(CN2CCCC2=O)n1Cc1ccccc1CN1CC[C@@H](O)C1 1722516355 YIUCBUCUYFYRPS-JOCHJYFZSA-N 452.603 2.418 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1722591016 KINZQMQQQQHFGR-IBGZPJMESA-N 490.605 2.482 30 10 JEEE C=CCCOCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1722624243 XQNOXDCHPKIDAJ-OAQYLSRUSA-N 483.573 2.189 30 10 JEEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCCN(C(=O)C(C)C)CC1 1722683316 NAIRGDHEBQPSFE-UHFFFAOYSA-N 460.604 2.076 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H](CNC(C)=O)C1 1722688483 CZYKOFLOLGWAPS-AEFFLSMTSA-N 458.538 2.212 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1722690518 JYFAVIXXNQWQDO-RTBURBONSA-N 475.615 2.351 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1722724303 SRMIGRQSHJYHMX-BXWFABGCSA-N 494.017 2.387 30 10 JEEE CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)OC)CC1 1727101130 BKQZMZAQJIJWCA-SFHVURJKSA-N 453.591 2.278 30 10 JEEE CCCC(O)(CCC)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](CNC(C)=O)C1 1727960511 HWBSXUCUKZKSQO-OAQYLSRUSA-N 454.575 2.489 30 10 JEEE CCOCc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CC(C)(C)N1CCOCC1 1729074108 BAKKMKYXHYICPU-UHFFFAOYSA-N 467.618 2.119 30 10 JEEE CS(=O)(=O)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCOC[C@H](C2CCC2)C1 1731005533 CHDGVURSTDBFLR-HXUWFJFHSA-N 473.599 2.416 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCC1=CCc2ccc(OC)cc21)[C@@H]1CCS(=O)(=O)C1 1740616300 YFHJHNYFXXAJNQ-HXUWFJFHSA-N 497.621 2.081 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@@H]1CSCCS1)[C@@H]1CCS(=O)(=O)C1 1740626276 WLMXZHWWPIPZCC-IAGOWNOFSA-N 468.695 2.406 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)(C)c1ccc2c(c1)OCCO2 1740646254 UISWSNPFTLKWFL-GOSISDBHSA-N 485.610 2.100 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCN2CCOC(C)(C)C2)CC1 1740691170 WKRWSGFUWJSKPZ-HXUWFJFHSA-N 470.593 2.423 30 10 JEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1c1ccc2c(c1)OCCO2 1740708812 CFYWEFQKWUFFSM-AEFFLSMTSA-N 491.639 2.367 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccccc2F)C[C@H]1C 1740821408 GMGSMZHZJRCYPD-APWZRJJASA-N 499.012 2.218 30 10 JEEE C=CCC(C)(C)Cn1c(N2CCC(N(C)S(C)(=O)=O)CC2)nnc1[C@@]1(OCC)CCOC1 1740852157 JLUNAOWNHHLTRE-JOCHJYFZSA-N 469.652 2.393 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(S(C)(=O)=O)CC1 1740921394 SPSUELHJILEDFD-KRWDZBQOSA-N 482.603 2.089 30 10 JEEE C=CCN(Cc1cccs1)c1nnc(-c2cnccn2)n1C[C@H]1CCCN1S(C)(=O)=O 1740922001 QKDYGVVMLOIOTC-MRXNPFEDSA-N 459.601 2.413 30 10 JEEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCC(C(=O)NCc2ccc(C)cc2)CC1 1740962321 APDUYUYFWLJFIM-UHFFFAOYSA-N 450.587 2.374 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1740964731 HLKHUSWJXPAXHY-FQEVSTJZSA-N 470.643 2.340 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(CCOC)CC1 1740988392 CWXGBJIDPBTRMP-UHFFFAOYSA-N 471.986 2.107 30 10 JEEE COC(=O)N1CCC(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2ccc(C#N)cc2)CC1 1748339687 HDPMDDQTDYTMDO-FQEVSTJZSA-N 486.598 2.167 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CN(Cc2ccccc2)CCCO1 1748635926 ZOMSSVDQGLWWID-IFMALSPDSA-N 450.587 2.263 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1C[C@H]1CCCOC1)[C@H]1CCS(=O)(=O)C1 1748804142 DQXVURUMZDHFQR-WBVHZDCISA-N 496.431 2.099 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCO[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1748809956 XWSUEWJINUIUKQ-FBBABVLZSA-N 453.568 2.259 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCC2(O)CCC2)CC1 1748991436 WTNQKMBRXPMFHN-FQEVSTJZSA-N 472.634 2.453 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CC(=O)N(C)C2CCCCC2)CC1 1749009218 NHJDODUZAPRZCE-UHFFFAOYSA-N 463.586 2.097 30 10 JEEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1749031980 PYPXORAPRYISLX-SFHVURJKSA-N 455.632 2.209 30 10 JEEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1749043563 GOFICZYXWFVLMF-UHFFFAOYSA-N 461.595 2.056 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1749114643 DSYDABMPDVGJNP-QRQLOZEOSA-N 473.578 2.447 30 10 JEEE C=C(Cl)Cn1c(COc2ccccc2CC)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1749280106 DATPARSHSXEYPY-UHFFFAOYSA-N 487.004 2.443 30 10 JEEE COC[C@H](Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)C[C@@H](C)C#N)OC 1749332370 AHJFMZICUKQJAB-IRXDYDNUSA-N 453.547 2.493 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](Cc2ccccc2)OC)CC1 1749342762 NTRFJIWKVILTJP-VXKWHMMOSA-N 489.642 2.271 30 10 JEEE C=CCNC(=O)Cn1c(N(C)[C@H]2CCSC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1749682075 NZHYXFKNMJEKNR-XHSDSOJGSA-N 450.609 2.293 30 10 JEEE C=CCOc1ccccc1Cn1c(-c2cccn2C)nnc1N1CCN(CCOC)C(=O)C1 1749690529 STZLLSQCDWYXSX-UHFFFAOYSA-N 450.543 2.192 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCC2(C1)OCCO2 1760102847 SSZREDVZTDSSDF-MSOLQXFVSA-N 473.599 2.197 30 10 JEEE C#CCCCCn1c(N2CCN(c3cc(N4CCOCC4)ncn3)CC2)nnc1C(C)(C)C 1760143116 WPQOIVZIGDOWER-UHFFFAOYSA-N 452.607 2.332 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1CCc1nccnc1C)[C@H]1CCS(=O)(=O)C1 1760191228 DARDUDOPCYROQM-FQEVSTJZSA-N 480.594 2.133 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@@H]1CC[C@H](CO)O1 1760198887 LCGQJTGRMWBPSW-DLBZAZTESA-N 459.344 2.329 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2nnc(C(C)(C)C)s2)CC1 1760251432 AHZJHFUVWDQKMI-UHFFFAOYSA-N 458.636 2.149 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCCN2CCC[C@H]2CO)CC1 1760267778 ZVKMCSDRSRWNCS-DEOSSOPVSA-N 489.624 2.019 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@@H]2CCCO[C@H]2C(C)C)CC1 1760268854 QLKJBKFZRFYDHK-FPOVZHCZSA-N 451.575 2.152 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccccc2C(F)(F)F)CC1 1760269083 XNAFRSXJFUYHAA-SFHVURJKSA-N 474.487 2.262 30 10 JEEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1760284257 JQUFWRCWIGXCGV-FQEVSTJZSA-N 453.616 2.213 30 10 JEEE C#CCSCCn1c(COc2ccc(Cl)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1760285579 KPMOVWZPJVKSQR-GOSISDBHSA-N 489.001 2.350 30 10 JEEE C#CCSCCn1c(N2CCN(CC3CCOCC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1760286135 CSGNEKKOGMLTDW-DEOSSOPVSA-N 477.675 2.234 30 10 JEEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1760287478 TXTULFGFMYRLMN-FPOVZHCZSA-N 485.610 2.037 30 10 JEEE C=C(Cl)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(S(=O)(=O)CC)CC1 1760370878 HHYKVUIMIIPHFF-UHFFFAOYSA-N 462.967 2.077 30 10 JEEE C=C(Cl)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1760378208 BXTYTVXPLUWVRJ-MRXNPFEDSA-N 480.038 2.059 30 10 JEEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCc1nnc2n1CCCCC2 1760457288 LZVATPGQVKJSHH-UHFFFAOYSA-N 484.630 2.378 30 10 JEEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC[C@H](C(=O)OC)C1 1760524329 VKEFGEUHZPZRLU-SFHVURJKSA-N 490.605 2.084 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCc3ccc(Cl)nc3C2)nnc1[C@]1(OCC)CCOC1 1760558708 XWIRNVBAYLIDRJ-NRFANRHFSA-N 482.006 2.142 30 10 JEEE CCCN(CC)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1764306636 CSTHJVCBMSFPIY-UHFFFAOYSA-N 478.645 2.293 30 10 JEEE CNC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCCCC2)C1 1769215636 DNZCVULVJRUJIA-HXUWFJFHSA-N 451.575 2.177 30 10 JEEE N#Cc1cccc(C(=O)Nc2ccc(N3CCN(C(=O)CN4C(=O)c5ccccc5C4=O)CC3)nc2)c1 1858446248 LVNMTRJWCLDDDK-UHFFFAOYSA-N 494.511 2.150 30 10 JEEE COc1ccccc1Cc1nnc(N2CCN([C@H](C)C(=O)Nc3ccc(C#N)cc3)CC2)nc1O 1859429526 DTMABEVSIBKIOJ-QGZVFWFLSA-N 473.537 2.197 30 10 JEEE Cc1cc(C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2cccc(C#N)c2)cc(S(N)(=O)=O)c1 1867234288 ADGQXEKTXWHFBD-QFIPXVFZSA-N 462.531 2.494 30 10 JEEE C=CCn1cc(OCC(=O)NC(C)C)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870509611 HNRWQPROHDZJNC-UHFFFAOYSA-N 454.571 2.269 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCc2ccccc2Cl)cn1CCOCCO 1870654078 IOSMSVMXXNLYHO-UHFFFAOYSA-N 490.000 2.380 30 10 JEEE CCCOc1ccc(/C=N/Nc2cnn([C@H]3CCS(=O)(=O)C3)c(=O)c2Cl)cc1OC 1873528920 KGQNFARRESVWKF-MNUWJXFPSA-N 454.936 2.500 30 10 JEEE CC(C)N1C(=O)CS[C@@H](C(=O)N2CCN(c3nccc(N(C)C)n3)CC2)[C@H]1c1ccc(C#N)cc1 1889638173 NJOKGDKFQSZDBX-DHIUTWEWSA-N 493.637 2.157 30 10 JEEE COc1ccc([C@@H]2[C@@H](C(=O)N3CCC(COc4nccnc4C#N)CC3)OCC(=O)N2C(C)C)cc1 1891580131 LCUMEVLETJXVSU-RPWUZVMVSA-N 493.564 2.351 30 10 JEEE CC(C)N1C(=O)CS[C@@H](C(=O)NCc2ccc(N3CCOCC3)nc2)[C@H]1c1ccc(C#N)cc1 1892063871 YIHAGXIUIQCCEG-DNQXCXABSA-N 479.606 2.500 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@]1(CO)C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2185167159 CUSRKIRXPXOEGL-DEOSSOPVSA-N 460.380 2.364 30 10 JEEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)[C@H](CN)c1nn(C)cc1I 2194767183 IHXSTOLKWWOCIC-MRXNPFEDSA-N 487.386 2.359 30 10 JEEE C=CCC1(NC(=O)[C@@]2(O)CCN(C(=O)OC(C)(C)C)C[C@@H]2O)CCN(C(=O)OC(C)(C)C)CC1 2197427209 LUPUVYWEOUZFIR-BXKMTCNYSA-N 483.606 2.181 30 10 JEEE Cc1cc(C(=O)N[C@H]2COC[C@H]2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2255635639 JEDPJOBVTQYUAC-LSDHHAIUSA-N 452.382 2.378 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCCN(C(=O)OCc2ccccc2)C1 2255648014 HKCJVVUZYXGANN-SFHVURJKSA-N 468.363 2.250 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(C)C[C@H](O)CNC(=O)OC(C)(C)C)s1 2255857505 JAUZSSOBMLMQCO-CQSZACIVSA-N 454.398 2.313 30 10 JEEE CCc1nn(C)c(C(=O)N[C@@H]2CC[C@@H]2NC(=O)OCc2ccccc2)c1B1OC(C)(C)C(C)(C)O1 2267508506 GFQCNPQNNFCOOD-MOPGFXCFSA-N 482.390 2.469 30 10 JEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)CCN1C(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2267591757 HRHLCGWRFKBLPA-UHFFFAOYSA-N 486.421 2.070 30 10 JEEE CC(C)(C)OC(=O)NOCCCNS(=O)(=O)c1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2267702776 LRCBMDKOFFOVAJ-UHFFFAOYSA-N 474.360 2.250 30 10 JEEE CC(C)(C)OC(=O)N(CCO)CC(=O)N1CCc2sc(B3OC(C)(C)C(C)(C)O3)cc2C1 2268637056 AMHHTNDQUGIEBY-UHFFFAOYSA-N 466.409 2.161 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2CC(C(=O)N=c3nc(B4OC(C)(C)C(C)(C)O4)[nH]s3)C[C@@H]2C1 2268681021 YQSPVKGWDMDTMR-ZIAGYGMSSA-N 464.397 2.091 30 10 JEEE C[C@H]1CN(C(=O)OC(C)(C)C)[C@H](C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)CO1 2268710543 ITADUXAWEVAPFG-ZFWWWQNUSA-N 467.397 2.083 30 10 JEEE CC(C)(C)OC(=O)NC1(C(=O)NCc2cc(B3OC(C)(C)C(C)(C)O3)cs2)CC(CO)C1 2268719925 MRYAPIVVXQIBHN-UHFFFAOYSA-N 466.409 2.329 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2c(F)cccc2B2OC(C)(C)C(C)(C)O2)[C@H](O)C1 2281784065 SXHJGAFWBYHZCE-IAGOWNOFSA-N 464.343 2.225 30 10 JEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2CN(Cc3ccccc3)C(C)(C)C2)n1 2281959519 NSCSZTRGDHDTHD-GOSISDBHSA-N 453.396 2.145 30 10 JEEE C[C@H]1CCN(C(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)[C@@H](CNC(=O)OC(C)(C)C)C1 2282034984 OZICPJAFFBUYPH-JKSUJKDBSA-N 462.400 2.485 30 10 JEEE Cn1nc(C(=O)NC[C@@H]2[C@@H]3C[C@H]3CN2C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2282043310 ITXSFZCELJRCAM-BFHYXJOUSA-N 480.802 2.358 30 10 JEEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1CCCCN(Cc2ccccc2)C1 2282184250 QCNHQAHVYJJDSY-IBGZPJMESA-N 453.396 2.146 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(=O)O)N(C(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)C1 2282199882 LWDJYTVRYBCMEN-ZFWWWQNUSA-N 464.324 2.161 30 10 JEEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1CNS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282295830 RDABTDPZBBLXFJ-CVEARBPZSA-N 481.424 2.162 30 10 JEEE Cc1ccc(S(=O)(=O)NC2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)c(B2OC(C)(C)C(C)(C)O2)c1 2282310511 VIPFSHJCSMIOTD-HOTGVXAUSA-N 478.420 2.438 30 10 JEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2282473817 QGFKVYLFUKBRBC-ZWKOTPCHSA-N 464.343 2.489 30 10 JEEE CCCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1C[C@H]2C[C@H]1CN2C(=O)C(F)(F)F 2282527936 KMRWWVWFGXLCEX-LSDHHAIUSA-N 455.286 2.185 30 10 JEEE C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)CCN1C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2282551034 GXWFNEINESPSNA-HOTGVXAUSA-N 462.400 2.485 30 10 JEEE CO[C@@H]1CN(C(=O)c2nc(C)ccc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1NC(=O)OC(C)(C)C 2282555679 XAMYPUZFGHSLHI-DLBZAZTESA-N 461.368 2.053 30 10 JEEE Cc1c(C(=O)N[C@@H]2C[C@@H](C)CN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282593426 QMRWOOPPJOQOOE-GDBMZVCRSA-N 462.400 2.403 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H]2CN(C(=O)c3ncncc3B3OC(C)(C)C(C)(C)O3)CC[C@H]21 2282706027 GYALTDNUBINADE-DOTOQJQBSA-N 458.368 2.247 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N(C)CCOCCNC(=O)OC(C)(C)C 2285198719 HVGHXGRUAGMEHD-UHFFFAOYSA-N 463.384 2.303 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N1C[C@@H](NC(=O)C(F)(F)F)CC[C@@H]1C 2285200952 SQWMBBCTIYJAHO-ZFWWWQNUSA-N 455.286 2.361 30 10 JEEE COc1ccc(N2C[C@H](c3nnc(SCCO)n3N=Cc3cccc(O)c3)CC2=O)cc1 2325882456 WOEVVZZNWCPBQP-MRXNPFEDSA-N 453.524 2.479 30 10 JEEE Cn1c(=O)nc(O)c2c1nc(NN=Cc1ccccc1Cl)n2C[C@H](O)COc1ccccc1 2327751580 LNIPXEJOZHTQEP-HNNXBMFYSA-N 468.901 2.375 30 10 JEEE CO[C@H](CNC(=O)OC(C)(C)C)CNC(=O)c1c(F)cccc1B1OC(C)(C)C(C)(C)O1 2339942452 JNRAZAFAQLRQBJ-AWEZNQCLSA-N 452.332 2.394 30 10 JEEE CN(C(=O)OC(C)(C)C)[C@H]1CN(C(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CC1(C)C 2361506526 OITIJURMKXREEJ-INIZCTEOSA-N 462.400 2.437 30 10 JEEE C=CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)N2c3ccccc3NC(=O)C2(C)C)c1 10792471 WIKPJRKQBDCBAL-UHFFFAOYSA-N 457.508 2.072 30 10 JEEE CC(C)NC(=O)CN1CCN(/C(=N\c2cccc(C(=O)O)c2)NCCc2ccccc2)CC1 46022034 PXMCBQFMGYXRNE-UHFFFAOYSA-N 451.571 2.347 30 10 JEEE COc1cc(OC)c([C@@H]2c3c(nc(N4CCCC[C@H]4C)[nH]c3=O)NC(=O)[C@@H]2C#N)cc1OC 72444456 SUYSVSDCRASOCY-DFHBCGBQSA-N 453.499 2.398 30 10 JEEE CCOC(=O)C1CCN(C2=NC(O)=C3C(=NC(=O)[C@H](C#N)[C@@H]3c3c[nH]c4ccccc34)N2)CC1 72444734 OMUTXLUWEBEFIY-CRAIPNDOSA-N 460.494 2.334 30 10 JEEE COc1ccc(-c2[nH]n(-c3ccc([N+](=O)[O-])cc3)c(=O)c2/C(C)=N\CCN2CCNCC2)cc1 101615638 DIIJGJVUORGPAL-ONUIUJJFSA-N 464.526 2.464 30 10 JEEE Cc1cc(C)c(C#N)c(SC2=C(N3CCN(CCO)CC3)C(=O)N(c3cc(F)ccc3F)C2=O)n1 526696559 GIAOZHYZERENCA-UHFFFAOYSA-N 499.543 2.335 30 10 JEEE COc1cc(C(=O)OCCN2CCN(C(=O)c3cccc(C#N)c3)CC2)cc(OC)c1OC 586382822 MQJVZEVZVYKWCO-UHFFFAOYSA-N 453.495 2.199 30 10 JEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(OC)c2Cl)c(=O)n1Cc1ccccc1 609323751 XPVOBNCQOGYDTF-UHFFFAOYSA-N 495.988 2.434 30 10 JEEE Cn1cc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)NCC#CC(=O)O)cn1 757472288 WFVKLUYLJBLSIX-QHCPKHFHSA-N 458.474 2.204 30 10 JEEE Cc1nn(CCO)c(C)c1C=NNc1nc(SCC(=O)OC/C=C\c2ccccc2)n[nH]1 1084098256 MYKAOFMTHTYRAL-ADAPCVGISA-N 455.544 2.405 30 10 JEEE COc1ccc(C(=O)CSc2n[nH]c(NN=Cc3c(C)nn(CCO)c3C)n2)cc1OC 1084492362 GULJDXXISSIEFT-UHFFFAOYSA-N 459.532 2.049 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CC(=O)NCC2CC2)CC1 1286473180 YGFKCENOPKLOSH-QGZVFWFLSA-N 456.978 2.353 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@@H](C)Oc2cccc(C)c2)CC1 1286490528 XGQVCBJCJADXEO-LJQANCHMSA-N 459.554 2.477 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(Nc2cccnn2)CC1 1286546651 KRQNKTFPFDRRIE-YLJYHZDGSA-N 454.579 2.268 30 10 JEEE C=C(Cl)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](Cn2cccn2)C1 1286630351 SCTBIHFUAUDQSJ-QZTJIDSGSA-N 493.996 2.441 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(CN2CCOCC2)CC1 1286666498 JQWVGEYOZPHKNT-GOSISDBHSA-N 468.668 2.039 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)OCCOC)nnc1N1CCc2[nH]c3ccccc3c2CC1 1286778816 FLDHGRQPLFGQEB-QGZVFWFLSA-N 452.559 2.391 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC(Oc2ncccc2F)CC1 1286789829 XKEYUTBHSQYNCB-UHFFFAOYSA-N 451.506 2.148 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCS[C@@H](C(C)C)C1 1286791694 ZHXKJCRJLPOJLG-ZWKOTPCHSA-N 494.662 2.467 30 10 JEEE C=CCOc1ccccc1Cn1c(-c2noc3c2COCC3)nnc1N(C)[C@@H](C)CC(N)=O 1286795605 KIEVOFIPOKEPNN-HNNXBMFYSA-N 452.515 2.319 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N(C)C1CCC(NC(C)=O)CC1 1286817336 RLJIHDPAAIWGIQ-UHFFFAOYSA-N 475.615 2.438 30 10 JEEE CCO[C@]1(c2nnc(N3CCO[C@@H](c4cccc(C#N)c4)C3)n2CCC(=O)NC(C)C)CCOC1 1296669129 GTFYVDSPVKFOOJ-PXDATVDWSA-N 482.585 2.294 30 10 JEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(n2cc(Cl)cn2)CC1 1300363624 FRMYYCINAYGEES-IBGZPJMESA-N 496.037 2.106 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(Sc2ccccc2)CC1 1300538794 VJKPUNRJWRZSRC-HXUWFJFHSA-N 485.635 2.009 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CC2(CS(C)(=O)=O)CC2)CC1 1300682909 KWAOXTXNCUHPOQ-NRFANRHFSA-N 455.628 2.400 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@H]2CCCCS2)CC1 1300689500 WPIYTTGRDCXULP-FQEVSTJZSA-N 488.683 2.236 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(OC(F)F)c(F)c2)CC1 1300719442 BATJGXLLUQLRPS-UHFFFAOYSA-N 487.486 2.433 30 10 JEEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1300769871 LDERAPVTWRVZKJ-JPYJTQIMSA-N 453.568 2.479 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C#N)cc2)n1CCCNS(=O)(=O)CC 1300816887 XNNPZZNJLWUDKC-JOCHJYFZSA-N 456.572 2.050 30 10 JEEE C=C(Br)Cn1c(COc2ccccc2OC)nnc1N1CCN(CCOC)C(=O)C1 1300861321 GJPCGVHRZWQMHK-UHFFFAOYSA-N 480.363 2.069 30 10 JEEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cc(F)cc(F)c2)CC1 1301017820 OFWKTYIXDVNSKR-CYBMUJFWSA-N 460.938 2.246 30 10 JEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1301196638 GNULAQSAQGREHO-JKSUJKDBSA-N 456.613 2.300 30 10 JEEE C=CCSCCn1c(Cc2cccnc2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1301615563 PIGLMTOCNXHUEF-IBGZPJMESA-N 462.645 2.187 30 10 JEEE COCCN(C)S(=O)(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccoc2)C1 1301739691 DAUGPSRRIWFQPD-NRFANRHFSA-N 484.582 2.335 30 10 JEEE N#CC1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCCn2cc(CO)nn2)CC1 1316535051 CMASBTMAJSEHFA-UHFFFAOYSA-N 456.938 2.425 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCCO3)n2C[C@@]2(O)CCSC2)c1 1358901996 CFURCCBAQCPKIT-CVDCTZTESA-N 455.584 2.444 30 10 JEEE C#CCN(c1nnc(-c2cnn(-c3ccccc3)c2)n1CCN(CC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1358960380 CXIGIFSXEYEKLQ-HSZRJFAPSA-N 495.653 2.488 30 10 JEEE C#CCN(c1nnc(-c2cn(C)c3ccccc23)n1CC(C)(C)C(=O)NCC)[C@H]1CCS(=O)(=O)C1 1358961011 QFEIVAKMOFNJCY-SFHVURJKSA-N 496.637 2.226 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@@H](C)N(C)C1CC1)[C@@H]1CCS(=O)(=O)C1 1358967079 CYHHLYOEQQANBO-IEBWSBKVSA-N 475.590 2.106 30 10 JEEE C#CCN(c1nnc(COCC)n1CCOc1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 1358967789 SAKSHMUXPXHUSL-KRWDZBQOSA-N 452.964 2.174 30 10 JEEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 1359034111 CYDGTFQWRPKKDS-LJQANCHMSA-N 466.590 2.137 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@H](C(CC)CC)N2CCOCC2)CC1 1359047374 DPYKNYXZOQHCQT-DHIUTWEWSA-N 486.661 2.232 30 10 JEEE C#CCSCCn1c(N2CCN(C(=O)N3CCCCC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1359061419 BIFHWIVEMTXSPD-DEOSSOPVSA-N 490.674 2.413 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(Cl)cc1 1359070601 PZJFWVOGARHBLP-DENIHFKCSA-N 478.018 2.499 30 10 JEEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1359123796 OALMZYDFJSFTGR-NRFANRHFSA-N 479.610 2.194 30 10 JEEE C=C(C)COCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1359130961 DCEYZFBHMXBFTE-GOSISDBHSA-N 495.584 2.500 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1359297458 QYZRJEKIGCGUCI-AWEZNQCLSA-N 477.363 2.287 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H]1CC[C@H](SCC)C1 1359326927 NEGNHIGKQGEZSA-SJORKVTESA-N 455.650 2.225 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC(C)(c2nc(C)no2)CC1 1359332176 QTCHGMLKDJBVRW-KRWDZBQOSA-N 464.592 2.022 30 10 JEEE CC(C)CCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(S(C)(=O)=O)cc1 1359929326 CGTUYUAZURLIOT-IBGZPJMESA-N 493.655 2.398 30 10 JEEE C#C[C@H](NC(=O)CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21)c1ccccc1 1461148686 OSWFAQBWJNAYFM-IBGZPJMESA-N 453.520 2.260 30 10 JEEE C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N1CCN(C)CC1 1475837282 YWICGAJRKGODOZ-AVRDEDQJSA-N 479.647 2.182 30 10 JEEE Cc1noc([C@@H]2CCCN(c3nnc(-c4ccc(C#N)cc4)n3CC(=O)NCC(F)F)C2)n1 1493094463 DZQWOBFYEPIWNE-MRXNPFEDSA-N 456.457 2.274 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@H]1CCC=CO1 1497037001 FNFALWAKKIXEEY-HXUWFJFHSA-N 464.574 2.482 30 10 JEEE COc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)c(C(F)(F)F)c1 1504269647 GITXJCNJKXDVSO-GDBMZVCRSA-N 450.421 2.034 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1Cc1ccc(N2CCOC2=O)cc1)[C@H]1CCS(=O)(=O)C1 1507632823 AVNHAQVTHSQMMM-FQEVSTJZSA-N 471.583 2.108 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CCCN(C(C)=O)C1 1507643857 SXSZURSBRAKMAN-QGZVFWFLSA-N 457.376 2.377 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCCN2C[C@H](C)O[C@@H](C)C2)CC1 1507719058 XSGAHVPSXJAZRL-SFTDATJTSA-N 482.629 2.217 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3OCC)n2CC2(N(C)C)CCC2)CC1 1507733204 ZQVXOVWAGVTXMG-UHFFFAOYSA-N 452.603 2.495 30 10 JEEE C#CCSCCn1c(N2CCC(N3CCN(C(C)C)CC3)CC2)nnc1[C@@]1(OCC)CCOC1 1507759067 YWQHLSHOJWVAOD-RUZDIDTESA-N 490.718 2.291 30 10 JEEE C=CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1507935132 MZRVFGMHGCUVAH-IBGZPJMESA-N 459.620 2.432 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@@H](NC(C)=O)C1 1508072879 HTVPCWZBAVKAQS-MAUKXSAKSA-N 460.966 2.479 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCCN(CC(F)(F)F)CC1 1508079464 WUEGYERORMVOJJ-UHFFFAOYSA-N 466.464 2.050 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1CC[C@@]1(O)C[C@H]2CC[C@H]1C2 1510153121 COTHERYYEAMPGH-KNLNXMFASA-N 472.615 2.338 30 10 JEEE CCC[C@H](C)C(=O)NCCn1c(-c2cccnc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1514275115 ACIDBCREHSXMIJ-SFHVURJKSA-N 490.616 2.133 30 10 JEEE CCCNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(CC(=O)N(C)C)CC1 1515059646 BIHBZLIHKZLGLQ-UHFFFAOYSA-N 451.575 2.428 30 10 JEEE CCn1cc([C@H]2CN(c3nnc(COc4ccc(C#N)cc4)n3CC(=O)NC(C)C)CCO2)cn1 1515762004 DMGJDUZYOYREJV-OAQYLSRUSA-N 478.557 2.048 30 10 JEEE CCO[C@]1(c2nnc(N3CCC(C#N)CC3)n2Cc2cccc(OCC(=O)N(C)C)c2)CCOC1 1516160510 DPTRRZBYQSTTGB-RUZDIDTESA-N 482.585 2.185 30 10 JEEE COCC1(Cn2c(C(=O)N3CCCC3)nnc2N(C)Cc2cccc(C#N)c2)CCOCC1 1518783150 BXOAMUMFRZBGJU-UHFFFAOYSA-N 452.559 2.465 30 10 JEEE C#CCn1ccc(CN(CC)C(=O)c2ccc(Br)c(S(=O)(=O)N(C)C)c2)n1 1524968553 XPTVGRSKADHWNU-UHFFFAOYSA-N 453.362 2.191 30 10 JEEE C#CC[C@H](COC)NC(=O)c1ccc(NC(=O)C[C@H]2SC(N3CCCCC3)=NC2=O)cc1 1534146470 PFIWILRZEGEXKJ-RTBURBONSA-N 456.568 2.267 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1Cc1ccc(C#N)o1)[C@@H]1CCS(=O)(=O)C1 1539203915 VXNVPAJUOTWKPJ-LJQANCHMSA-N 492.561 2.287 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1ccc(N(C)C)cc1C)[C@H]1CCS(=O)(=O)C1 1539224892 JSLLUCCVMJRAFG-QHCPKHFHSA-N 478.622 2.313 30 10 JEEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1CC1(SC)CCC1)[C@@H]1CCS(=O)(=O)C1 1539230514 NKBCYIGENPLIKH-MRXNPFEDSA-N 493.680 2.182 30 10 JEEE C#CCN(CC)c1nnc(-c2ccc(OC)c(Br)c2)n1CC1(C(N)=O)CCOCC1 1539359297 BSKNFGIPYBIIHI-UHFFFAOYSA-N 476.375 2.458 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 1539476741 DMYJQKVWNTWHGL-HXUWFJFHSA-N 496.616 2.044 30 10 JEEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1539506615 NEDWLAMWAZDVRH-FQEVSTJZSA-N 485.610 2.156 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)OCCOC)n1Cc1cccc(N2CCOCC2)n1 1539538730 MGUIJKIYEYFDIW-YADARESESA-N 454.575 2.274 30 10 JEEE C=C(Br)Cn1c(C2CCCC2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1539596696 NUNCVQPSZRFAKH-UHFFFAOYSA-N 465.396 2.115 30 10 JEEE C=CCC(C)(C)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@H](CNC(C)=O)C1 1539924130 NUQDTTIMEQCRDE-HXUWFJFHSA-N 451.575 2.460 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1540869752 VQBHMQKCUGWNNJ-GOSISDBHSA-N 463.542 2.397 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Br)cc3)n2CCNS(=O)(=O)CC)C1 1540885857 QDYLFGARWAZLPS-QGZVFWFLSA-N 484.420 2.428 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(C)cc2C)C1 1540893015 VFVMUTVDIDGHJX-SFTDATJTSA-N 475.615 2.057 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](Nc2ccccc2)C1 1540898020 YFFMBFIJLKSVBS-FQEVSTJZSA-N 472.615 2.196 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@@H](C(=O)OC)C1 1540899457 PHZPEWAJSWVHJP-CYBMUJFWSA-N 456.927 2.338 30 10 JEEE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCN(C(C)=O)C2)C1 1540937935 HHMNMXWBXFPYRR-FGZHOGPDSA-N 463.586 2.380 30 10 JEEE C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C#N)cn2)CC1)c1ccccc1 1541834965 HJZLNXQZKSTWMV-MOPGFXCFSA-N 494.625 2.285 30 10 JEEE N#C[C@H]1CN(S(=O)(=O)N2CCN(Cc3ccc(-c4cccc(F)c4)s3)CC2)CCO1 1561119995 DZYPUDPEFXIERQ-SFHVURJKSA-N 450.561 2.141 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC[C@@H](C(F)F)N1CCOCC1 1587631965 HFKIUQKMDFVLAX-QUCCMNQESA-N 488.587 2.266 30 10 JEEE C#CCCCn1c(-c2ccc[nH]2)nnc1N1C[C@@H](C(=O)OC)[C@H](CNC(=O)OC(C)(C)C)C1 1587842297 PAPWLUUGTLHTLU-IAGOWNOFSA-N 456.547 2.437 30 10 JEEE C#CCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1587905242 YRLLSBWQRQWRPO-UHFFFAOYSA-N 477.569 2.471 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccc([C@H](C)O)cc2)CC1 1588750908 GYVAXFHAQIHHTP-NBGIEHNGSA-N 453.587 2.176 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@H]2CCOC[C@H]2OC)CC1 1588780651 UWXUAVNEFTYQBX-DYESRHJHSA-N 459.978 2.414 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C[C@@H]2CCOC2)C1 1589069014 HJEXBOZPPURSLA-CEXWTWQISA-N 452.646 2.190 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCS(=O)(=O)CC1 1589578039 FGFVCCAZGJJCIE-ZSYWTGECSA-N 452.621 2.413 30 10 JEEE C=C(C)Cn1c(N2CCC[C@@H](CNS(C)(=O)=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1593682815 DGXARZLYCUMFCW-OKZBNKHCSA-N 482.651 2.391 30 10 JEEE C=C(C)COCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](CC(N)=O)C1 1593747394 VQLZADQKEPMPAD-OALUTQOASA-N 492.621 2.271 30 10 JEEE C=C(Cl)Cn1c(N(C)[C@H]2CCS(=O)(=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1593933021 UDWFHQMGZZQPJN-ZNMIVQPWSA-N 460.000 2.425 30 10 JEEE C=CCCCCn1c(-c2ccccn2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1594599942 CLAVYWDFCLKGHS-UHFFFAOYSA-N 470.603 2.249 30 10 JEEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1-c1cnn(C)c1)C1CC1 1595020581 KCSMYRLIFQRKOP-INIZCTEOSA-N 455.588 2.492 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1595500842 GGXCGFHUCKRNPX-HSZRJFAPSA-N 465.646 2.414 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)Cc1cnn(C)c1 1595543835 AIDIJXGMZQSRFL-SFHVURJKSA-N 472.594 2.065 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(O)(Cc2cccc(C)c2)CC1 1595544811 MDCUDVWISZOHOD-OAQYLSRUSA-N 453.587 2.357 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cc(Cl)c3c(c2)OCCO3)C1 1595672418 AROPUKFXEYGHIW-ZBFHGGJFSA-N 498.005 2.143 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCCN(Cc2ccccc2)CC1 1595830807 HNTCHXOUHYFBCV-OAQYLSRUSA-N 459.616 2.443 30 10 JEEE CC(C)NC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1609889223 DMILUSCMYHRUSO-MHECFPHRSA-N 468.558 2.028 30 10 JEEE C[C@@H]1CN(CCCn2c(CN3CCCC3=O)nnc2N(C)Cc2cccc(C#N)c2)C[C@@H](C)O1 1612994582 AYZPNYZLQBLVPN-WOJBJXKFSA-N 465.602 2.408 30 10 JEEE CN(C)c1ccc(C(=O)N[C@@H]2CO[C@@H]3[C@@H](Nc4nccc(-c5cccc(C#N)c5)n4)CO[C@@H]23)cc1 1616133375 SAEHIBYGDQRYCM-NAVOZUGXSA-N 470.533 2.458 30 10 JEEE COc1cccc(CCn2c(C(=O)NC(C)C)nnc2N2CCN(c3cc(C#N)ccn3)CC2)c1 1619361276 AAMZFMAZSSOYDE-UHFFFAOYSA-N 474.569 2.261 30 10 JEEE C#CCNS(=O)(=O)N1CCN(C(=O)NCC2(c3cccc(Cl)c3F)CCCC2)CC1 1634269269 PYYRQKWAWKZXLR-UHFFFAOYSA-N 456.971 2.086 30 10 JEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@H]1C 1637388951 CGRBPWRJFVYJNP-ARFHVFGLSA-N 450.561 2.081 30 10 JEEE CN(c1ccc(CNC(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)cc1)S(C)(=O)=O 1677096193 CIEBWALHMDZPMS-UHFFFAOYSA-N 455.584 2.418 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC1(c2ccc(F)cc2F)CC1)[C@H]1CCS(=O)(=O)C1 1689977921 HFEOABQLNFZYPB-KRWDZBQOSA-N 491.564 2.053 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1Cc1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 1689978147 NRNVWOKAUGKNHS-HXUWFJFHSA-N 457.600 2.180 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1ccc(N(C)C)c(F)c1)[C@H]1CCS(=O)(=O)C1 1689989178 BUGKQLAVZHGMRG-RXVVDRJESA-N 475.590 2.400 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@H]1N(C)CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1689990064 LFMSAUUGUJEYSW-HSALFYBXSA-N 463.648 2.267 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H](c1ccccc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1689992198 IETZIGNJHVZTGR-PKTZIBPZSA-N 478.622 2.194 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@]2(O)CCOC2)CC1 1690139713 YFZIBPLKLPKVNC-AREMUKBSSA-N 465.598 2.360 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2C[C@H](C)O[C@H](C)C2)CC1 1690152558 PIKQZOATIQLTFT-REPLKXPHSA-N 498.653 2.439 30 10 JEEE C=C(Br)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1nc(CCOC)no1 1690218337 CPCDQUIMBQAQLZ-UHFFFAOYSA-N 477.323 2.042 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(O)(c2ccccc2Cl)CC1 1690288060 FWZWXGXPQIWRAU-IBGZPJMESA-N 496.033 2.329 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCCNS(C)(=O)=O)CC1 1690373625 HKJQEABOBWPFGD-GOSISDBHSA-N 482.651 2.488 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1690660241 BXNVAMMTONGREF-DLBZAZTESA-N 498.563 2.434 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1690665927 UFCKZWBXDAEAOQ-HOTGVXAUSA-N 492.330 2.133 30 10 JEEE CC(C)N(CCn1c(-c2cnccn2)nnc1N1CCN(c2cc(C#N)ccn2)CC1)C(C)C 1692483268 HBBBHZYSUCYVBC-UHFFFAOYSA-N 460.590 2.447 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1cccc(OCC)c1)[C@H]1CCS(=O)(=O)C1 1705567548 XKYVOJPPMWQBQH-PMACEKPBSA-N 458.584 2.246 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H]1CC[C@@]2(CCOC2)O1 1705625116 XJXFBZYOONTMJO-DVECYGJZSA-N 456.543 2.386 30 10 JEEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCN(c2ccccc2F)C1 1705630449 UDBJCNQKQYUINZ-LJQANCHMSA-N 454.550 2.152 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCOCC(F)F)CC1 1705647955 MPCPQSUAZHSSDK-LJQANCHMSA-N 475.496 2.038 30 10 JEEE C=CCC(C)(C)Cn1c(-c2cnccn2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1705789584 PRWWJIYTOUJDOU-LJQANCHMSA-N 452.607 2.470 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1705931206 JATGDJFWTMKSML-NRFANRHFSA-N 482.610 2.160 30 10 JEEE C[C@@H]([C@@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1CCC(=O)NC(C)(C)C)S(C)(=O)=O 1706081129 BQYKVXQVVWSLNJ-CVEARBPZSA-N 460.604 2.379 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CCCCS1(=O)=O 1706159093 ATHSSMQWDIRMBM-SQNIBIBYSA-N 494.618 2.046 30 10 JEEE CCCC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCOCC2)CC1 1709422367 BDCCFNJJYKXRPB-UHFFFAOYSA-N 452.559 2.243 30 10 JEEE CCCOc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@]2(O)CCO[C@H]2C)cc1OC 1709859594 HMULLGWWGPGRLS-PRCFCKQXSA-N 457.531 2.011 30 10 JEEE CCNC(=O)C1(Cn2c(-c3sc(N4CCOCC4)nc3C)nnc2N(C)C[C@@H](C)C#N)CCC1 1710317524 GIPKFVJTCHDSBS-INIZCTEOSA-N 486.646 2.449 30 10 JEEE CN(C)C(=O)C1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2cccc(C#N)c2)CCCC1 1710971434 FLNPQFJWLBDQFH-HXUWFJFHSA-N 484.626 2.337 30 10 JEEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](OCCOC)C1 1722333792 ZNQVTYQBBOZXEX-RBUKOAKNSA-N 463.579 2.242 30 10 JEEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1csc(CCc2ccccc2)n1 1722344752 MEVYVPNLVBSNOC-MRXNPFEDSA-N 458.613 2.248 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1c(C)oc2ccccc12)[C@H]1CCS(=O)(=O)C1 1722358468 HWPQVJGXTKJYLK-KRWDZBQOSA-N 469.567 2.146 30 10 JEEE C#CCN(c1nnc(-c2ccccc2F)n1CC1(COC)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1722364280 YSGVJACCGVHYHO-GOSISDBHSA-N 476.574 2.154 30 10 JEEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCNC(=O)C(C)(C)C 1722413368 MBAHGOOTZHDOAR-QGZVFWFLSA-N 462.595 2.208 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCC[C@@H](O)C1 1722426345 HCNLYNMGJKKEAF-ZCNNSNEGSA-N 477.606 2.224 30 10 JEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)c2ccc(C)cc2)CC1 1722453523 WDONPCMDPHCYRA-UHFFFAOYSA-N 466.611 2.151 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CCc2ccccc2)nnc1N1CCN(CCOC)C(=O)C1 1722504645 OGHACBLPOWUIKZ-URXFXBBRSA-N 453.587 2.340 30 10 JEEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 1722523170 DKTMBQSPCGCFHK-QGZVFWFLSA-N 463.991 2.259 30 10 JEEE C=CC[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CO)CC1)c1ccccc1 1722596023 BBCXCPWHFHCUDZ-YADHBBJMSA-N 489.642 2.180 30 10 JEEE C=CCCCn1c(-c2ccc(C)o2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1722613168 VJDHHAYGHIFHFU-UHFFFAOYSA-N 459.576 2.366 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 1722698154 UTYYIBJSJQBYGJ-GOSISDBHSA-N 473.484 2.160 30 10 JEEE C=CCNC(=O)Cn1c(N2CCO[C@@H](c3ccc(F)c(F)c3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1722704192 PZOZYJRGUKVWQE-HYBUGGRVSA-N 491.539 2.477 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@H](C)[C@H](OC)C1 1722726872 GLGFBIIBFKXQTD-MAUKXSAKSA-N 472.571 2.056 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1722730129 JMCZZHUCMREDLQ-HXUWFJFHSA-N 496.655 2.170 30 10 JEEE CC(C)[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1)N1CCCC1 1723122694 AIXWSTJACNGGBK-RBBKRZOGSA-N 486.642 2.472 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1nc(C(C)C)cs1)[C@@H]1CCS(=O)(=O)C1 1740627959 UNACJRLIGNEBOW-IAGOWNOFSA-N 463.629 2.427 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccnc2)n1C[C@@H]1C[C@@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1740683891 QOUVOCBROFPFDV-QHAWAJNXSA-N 482.585 2.451 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccccc2COC)CC1 1740703343 OSNOFRLPGQCCKJ-MHZLTWQESA-N 495.624 2.479 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](N(C)Cc2ccccc2)C1 1740794742 HFCXXZGVKBSUJH-YADHBBJMSA-N 473.643 2.484 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1740989199 DVEYKRYHZIDEQZ-UHFFFAOYSA-N 479.488 2.312 30 10 JEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](c2nc(CC)cs2)C1 1740994054 IDCSWGOLZHIQDE-QGZVFWFLSA-N 492.671 2.404 30 10 JEEE CNC(=O)[C@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2C[C@@H](C)O[C@H](C)C2)C1 1748132931 FAGPGXSPRSGLRG-MPCDZSKCSA-N 465.602 2.278 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1cccnc1-n1cccn1 1748649177 KTBZVYUWDADMTA-SFHVURJKSA-N 490.593 2.282 30 10 JEEE C#CCCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1748699650 QHUUXSVWURVLGN-GOSISDBHSA-N 497.991 2.210 30 10 JEEE C#CCCCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1748731742 KLZDPEAJNGBDSM-IEBWSBKVSA-N 484.988 2.249 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1CCSCc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1748811436 GTINXZLUXQZZER-GOSISDBHSA-N 486.598 2.434 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CCN1CCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1748825349 XUWBJSDZQNBQBU-UYAOXDASSA-N 475.590 2.107 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(C)c(Br)c2)n1CC1(O)CCS(=O)(=O)CC1 1748833706 WXFZRDNOOGASFT-UHFFFAOYSA-N 491.411 2.029 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1Cc1conc1COC 1748842012 CWTZGOLPJYYJPI-UHFFFAOYSA-N 471.521 2.321 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCCCN2C[C@H](C)C[C@@H](C)C2)CC1 1749008865 HTQRODCTCHFMBL-NHCUHLMSSA-N 478.645 2.459 30 10 JEEE COc1ccccc1O[C@@H](C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(CC#N)CC1 1749074413 GKOLBFKRLXARAA-DLBZAZTESA-N 476.603 2.494 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1749141945 NFQUVQIWJUPQFX-YFNVTMOMSA-N 461.607 2.288 30 10 JEEE C=CCN(c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCS(=O)(=O)C(C)(C)C)C1CC1 1749510869 AKBBGEWWZGBBII-UHFFFAOYSA-N 456.576 2.289 30 10 JEEE C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCN1CCOC(C)(C)C1)N1CCOCC1 1751121719 DANBQFNDQDAZTC-HXUWFJFHSA-N 467.618 2.084 30 10 JEEE Cc1cc([C@](C)(O)Cn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@H](C#N)C2)c(C)o1 1751386766 HINMKIDTKIKPKE-OPAMFIHVSA-N 470.555 2.116 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCc1nc2c(s1)CCCC2 1760097975 MKJWROXBNHTOBS-CABCVRRESA-N 450.634 2.314 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CCc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1760181289 RVSDAWBGSFGOMR-URXFXBBRSA-N 490.601 2.327 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1ccccc1OCCOC)[C@H]1CCS(=O)(=O)C1 1760186327 BQAOVFXPOBHPCH-UNMCSNQZSA-N 488.610 2.220 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H](c1ccsc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1760190545 RWFYCGKBQQWVIG-RTWAWAEBSA-N 484.651 2.255 30 10 JEEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1CCN1CC=CCC1)[C@H]1CCS(=O)(=O)C1 1760191739 MNFBJEOYGREGCE-QFIPXVFZSA-N 483.638 2.363 30 10 JEEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1760285089 YRXBFBXRNRSYSK-UHFFFAOYSA-N 461.595 2.056 30 10 JEEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1760351656 JOSAMMTVSMAFIP-HXUWFJFHSA-N 469.590 2.067 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1760416427 CSHOMIKRNXHPBX-HKUYNNGSSA-N 469.652 2.465 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@]1(O)CCOC1 1760481754 GTSMDJZFDPNADM-AWRGLXIESA-N 453.543 2.218 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1760514995 IVVAXHUFBIZODT-YOEHRIQHSA-N 463.380 2.354 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1760520712 XOFVYSKWSRZEFB-SJORKVTESA-N 474.993 2.268 30 10 JEEE C[C@H](CS(=O)(=O)Nc1cccc(C#N)c1)C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 1858111448 OKAWFMJIEHYLDG-QGZVFWFLSA-N 470.551 2.009 30 10 JEEE C=CCNC(=O)NS(=O)(=O)c1ccc(CCNC(=O)CCCOc2ccc(OC)cc2)cc1 1858973981 PSRUPEVZLVIZAG-UHFFFAOYSA-N 475.567 2.387 30 10 JEEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@@H]1c1ccc(O)c(O)c1 1862458859 WVLMFIOSEVAHAU-SFHVURJKSA-N 450.369 2.230 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCNC(C)=O)[C@H]2c2cccc([N+](=O)[O-])c2)cc1OC 1862574696 NBUHWCSSJVNDFB-FQEVSTJZSA-N 469.450 2.326 30 10 JEEE C=CCOc1ccccc1[C@@H]1C(C(=O)N2CCN(CCO)CC2)=C(N)Oc2c1c(CCC)nn2CC 1865222649 KEUYCJQJTMDYAF-QFIPXVFZSA-N 495.624 2.251 30 10 JEEE CC(=O)Nc1nc(-c2cccs2)c(CC(=O)N[C@H](CO)C(=O)Nc2cccc(C#N)c2)s1 1866636255 FJSJPNLMQQUEEL-OAHLLOKOSA-N 469.548 2.360 30 10 JEEE COc1ccc(OCCCc2nnc(SCC(N)=O)n2/N=C/c2ccc(O)c(O)c2)cc1 1874220070 SKOGUNWCWZUQEJ-FSJBWODESA-N 457.512 2.169 30 10 JEEE Cc1nc(I)c(I)n1-c1ncc(N)cc1C#N 1941544862 KPGWZCOAFOAAFD-UHFFFAOYSA-N 451.009 2.239 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CO)CNC(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1Cl 2247802264 OQTBTQVEXWMHHX-NSHDSACASA-N 460.789 2.316 30 10 JEEE CC(C)(C)OC(=O)NCCc1n[nH]c(NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)n1 2267281596 WPEVOVAWCXOORS-UHFFFAOYSA-N 463.369 2.485 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H]1NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2267365874 WZSIYGZRCBMTIF-CJNGLKHVSA-N 470.372 2.316 30 10 JEEE CC(C)(C)OC(=O)N[C@@]1(C)CCN(S(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267376935 CMEGDSPZIUAQEN-NRFANRHFSA-N 467.397 2.059 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C1)[C@@H]2NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2267472734 VCBLRPGZMYQTLC-MUJYYYPQSA-N 484.449 2.332 30 10 JEEE CN1CCN(C(=O)c2ccsc2B2OC(C)(C)C(C)(C)O2)[C@H](CNC(=O)OC(C)(C)C)C1 2267475469 KUDYZIHKGHBPQF-OAHLLOKOSA-N 465.425 2.328 30 10 JEEE CC[C@@](C)(CNC(=O)OC(C)(C)C)N(C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2267492783 VOMWYDNNXGIOHQ-QFIPXVFZSA-N 450.389 2.485 30 10 JEEE Cc1c(C(=O)NCC(C)(C)N(C)C(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2267504761 XAXZCVDXWPVNTP-UHFFFAOYSA-N 450.389 2.403 30 10 JEEE CN(CCCCCNC(=O)OC(C)(C)C)C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2267508428 FDHJQEIQINKAFW-UHFFFAOYSA-N 450.389 2.486 30 10 JEEE CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)s1 2268638792 KFSKXRJZDRRMFC-HNNXBMFYSA-N 468.381 2.120 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@H](CC(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C1 2268641161 AHMWXKSDMNBJLI-CQSZACIVSA-N 467.397 2.085 30 10 JEEE C[C@H]1CN(C(=O)OC(C)(C)C)[C@H](C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)CO1 2268706065 ITADUXAWEVAPFG-ZFWWWQNUSA-N 467.397 2.083 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCN(CC(=O)O)Cc1ccccc1 2268977590 BCIRDVIIEYQPSR-UHFFFAOYSA-N 459.377 2.067 30 10 JEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H](COCc1ccccc1)C(=O)O 2269026038 HOESUGGJTLHBDN-MRXNPFEDSA-N 481.401 2.304 30 10 JEEE C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2269690113 MXUDGARFKIGNIF-DYVFJYSZSA-N 452.332 2.015 30 10 JEEE CC(C)(C)OC(=O)N1CCOCC[C@H]1C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2269762683 URYUVMGNZBHHKN-HNNXBMFYSA-N 467.397 2.085 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@@H]([S@](C)(=O)=NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2281931275 SXXTWRKQUSKTCM-GSLRCMBYSA-N 482.412 2.346 30 10 JEEE Cn1nc(C(=O)N2CCC[C@@]23CCN(C(=O)OC(C)(C)C)C3)cc1B1OC(C)(C)C(C)(C)O1 2281983420 ZUGPXZMUFCSZFV-QHCPKHFHSA-N 460.384 2.335 30 10 JEEE Cc1c(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2F)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281991129 WLSVYMWTDXRNSE-LSDHHAIUSA-N 466.363 2.105 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H](CNC(=O)OC(C)(C)C)C(F)(F)F)n1 2281996359 NPMFJHNHPFLBSH-CYBMUJFWSA-N 476.305 2.388 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](CNC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1(C)C 2282062612 APDCJYOUYKSWNY-HOCLYGCPSA-N 460.384 2.445 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H](C)C2(O)CN(C(=O)OC(C)(C)C)C2)c1 2282122819 MNZFXWRCKLTCTF-INIZCTEOSA-N 460.380 2.394 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CN(S(=O)(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)cc3F)C[C@@H]21 2282322182 HUNDYLQMOUTCPQ-JLVBRIDZSA-N 482.383 2.269 30 10 JEEE C[C@@H]1C[C@@H](CNC(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CN(C(=O)OC(C)(C)C)C1 2282536156 YUESKBHORMTCGS-CVEARBPZSA-N 462.400 2.342 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@]23CCC[C@@H]2N(C(=O)OC(C)(C)C)CC3)n1 2282552843 MZXFRWNZMIMILV-HJPURHCSSA-N 460.384 2.381 30 10 JEEE CCc1nn(C)c(C(=O)NC[C@@H]2C[C@@H]2CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2282561184 QOJYAKKTVGCPBD-LSDHHAIUSA-N 462.400 2.172 30 10 JEEE Cn1nc(C(=O)NC[C@H]2CCCCN(C(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2282619995 YVTGKHSCQOWWQF-MRXNPFEDSA-N 462.400 2.486 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@](F)(CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)C1 2282632200 IKSSTHQORDNTQW-QFIPXVFZSA-N 468.331 2.284 30 10 JEEE CO[C@H]1CN(C(=O)c2ncc(C)cc2B2OC(C)(C)C(C)(C)O2)C[C@H]1NC(=O)OC(C)(C)C 2282643704 DUWPRKDWYNJXRU-SJORKVTESA-N 461.368 2.053 30 10 JEEE CC1(C)OB(c2csc(S(=O)(=O)N3C[C@@H]4OCCN(Cc5ccccc5)[C@H]4C3)c2)OC1(C)C 2282847630 BLOGFPLJGSNYMM-PMACEKPBSA-N 490.456 2.321 30 10 JEEE CC(C)[C@@H](CN(C)Cc1ccccc1)NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282853330 BIBJUSMXGYMJKP-LJQANCHMSA-N 476.452 2.154 30 10 JEEE CN(Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)[C@@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C 2283953345 RXDJKCDUMMFXQG-MOPGFXCFSA-N 460.380 2.315 30 10 JEEE COC[C@]1(C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)CCN(C(=O)OC(C)(C)C)C1 2283957440 YEHMIAFDQIONEH-QFIPXVFZSA-N 481.424 2.332 30 10 JEEE CC(C)(C)OC(=O)NC[C@@]1(C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)CCCOC1 2283974990 OHTMTSIZLQHTHJ-QFIPXVFZSA-N 481.424 2.380 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CC(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)=C[C@@H]1O 2284058121 IMWJNMSXKSTJIT-HOTGVXAUSA-N 463.315 2.043 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)[C@H](C(=O)N=c1nc(B3OC(C)(C)C(C)(C)O3)[nH]s1)C2 2284065827 MEGNJDNFOWBPFG-SOUVJXGZSA-N 478.424 2.481 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(NC(=O)[C@@H](CCC(N)=O)NC(=O)OC(C)(C)C)c1 2284135855 VJMMAYQZBFCMQN-MRXNPFEDSA-N 461.368 2.392 30 10 JEEE Cc1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O 2285953614 XKGCTJCIKIXUBE-MSOLQXFVSA-N 464.343 2.143 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H]3C[C@]3(CNC(=O)OC(C)(C)C)C2)n1 2288253087 UASQBMXMACUQDV-CMJOXMDJSA-N 460.384 2.189 30 10 JEEE CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1)C(=O)O 2289800826 SEXFWKKWHGFHMA-HNNXBMFYSA-N 465.356 2.192 30 10 JEEE COc1ccc(OCc2nnc(SCC(N)=O)n2N=Cc2ccc(OC)cc2OC)cc1 2328371763 OHEBTOSOSFQERW-UHFFFAOYSA-N 457.512 2.343 30 10 JEEE CC(C)(C)OC(=O)N1CCN(c2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)[C@@H](C(=O)O)C1 2345712351 INSCIZXWWVJOFE-OAHLLOKOSA-N 451.304 2.030 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H]3CC[C@]3(NC(=O)OC(C)(C)C)C2)n1C 2362333230 RLZRBQXLKWZJKI-WNSKOXEYSA-N 460.384 2.157 30 10 JEEE CN(CC1CCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)CC1)C(=O)OC(C)(C)C 2362355259 ZVAAIYXHKCTMBD-UHFFFAOYSA-N 462.400 2.438 30 10 JEEE COc1nc(O[C@@H]2CN(C(=O)OC(C)(C)C)[C@H]3COC[C@H]23)ccc1B1OC(C)(C)C(C)(C)O1 2365374783 MYVWKVMPEIFBKL-BHYGNILZSA-N 462.352 2.403 30 10 JEEE COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccc(OC)c2)cc1 102486564 BXPMOTWUWFUNKQ-VFJWVMJUSA-N 452.507 2.458 30 10 JEEE Cc1nc(C)c(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccc([N+](=O)[O-])c2)s1 103221880 DFSFLWGJCXCAOL-LYHOESIGSA-N 472.523 2.422 30 10 JEEE CCN(CC)c1ccc([C@@H]2N(C(=O)C[N+](=O)NOC)CCN2S(=O)(=O)c2ccc(C)cc2)cc1 585088835 AEMVGEYFKBOUBH-HSZRJFAPSA-N 490.606 2.218 30 10 JEEE CCN(CC)c1ccc([C@H]2N(C(=O)C[N+](=O)NOC)[C@H](C)CN2S(=O)(=O)c2ccccc2)cc1 585088903 JCFXYESUQQUFOP-WZONZLPQSA-N 490.606 2.298 30 10 JEEE C#CCNS(=O)(=O)c1ccc(C(=O)NCc2nc(-c3ccc(Br)cc3)n[nH]2)cc1 726779055 CTOYKFVFASJEBR-UHFFFAOYSA-N 474.340 2.076 30 10 JEEE COc1ccccc1NC(=O)CSc1nnc(NN=C(C)c2ccc3c(c2)OCO3)n1N 1084569531 JJUKSPKXOMGBSG-UHFFFAOYSA-N 455.500 2.296 30 10 JEEE CCCC[C@H](NC(=O)[C@H](C)NC(=O)C(C)(C)C)C(=O)N1CCN(c2ccccc2C#N)CC1 1136537271 BOJJHYSZPXPGEO-ICSRJNTNSA-N 455.603 2.433 30 10 JEEE CN1CCN(CC2(C)CCN(C(=O)[C@@H]3CC(=O)N(c4ccc(C#N)c(Cl)c4)C3)CC2)CC1 1138118400 FRYBFDXJGXXPQP-LJQANCHMSA-N 458.006 2.441 30 10 JEEE C=CCn1c(SCC(=O)N2CC[C@H](NS(C)(=O)=O)C2)nnc1-c1ccc(Cl)cc1 1146283477 BOGVECWKQAUVAB-HNNXBMFYSA-N 455.993 2.027 30 10 JEEE CCN(CC)C(=O)COc1cccc(NC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)c1 1214316454 BNGMWJXQRZAGCM-QGZVFWFLSA-N 451.531 2.338 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCCN2C[C@@H](C)O[C@H](C)C2)CC1 1286474625 NWXAHMCHHTXWEO-NHCUHLMSSA-N 482.629 2.217 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@H]2C[C@H](C)O[C@H](C)C2)CC1 1286491226 JJIATKBIVXMNAE-ACDBMABISA-N 450.587 2.433 30 10 JEEE C=C(C)COCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1286607452 PTVMVMPXJQUUFW-WIYYLYMNSA-N 466.542 2.084 30 10 JEEE C=C(Cl)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1286623423 RQRODRHODFHVMY-BEFAXECRSA-N 466.007 2.258 30 10 JEEE C[C@@H]1C[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(N(C)S(C)(=O)=O)CC2)CCO1 1291022543 IEMPAFVUOHPNHC-IEBWSBKVSA-N 472.615 2.492 30 10 JEEE CCCn1nc(-c2nnc(N(C)[C@@H](C)CC#N)n2C[C@@H]2COCCO2)c2ccccc2c1=O 1294763143 BGYUCSHQKOPEPX-DLBZAZTESA-N 451.531 2.219 30 10 JEEE CCN1CCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1296059507 HNAYEEVCFMQATH-UTKZUKDTSA-N 471.631 2.413 30 10 JEEE C#CCCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1300362807 AGSXFTKFDGKTMV-NQIIRXRSSA-N 473.599 2.360 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCn1nc(C)cc1C)[C@@H]1CCS(=O)(=O)C1 1300482404 FMTVPCQVRREFEG-OAQYLSRUSA-N 497.581 2.384 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCCOc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1300488835 WVGNIBIWLUZCAE-GOSISDBHSA-N 469.567 2.378 30 10 JEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1CC1([S@@](C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1300499420 RHZAMNHWHQXLPN-VPTFNQTCSA-N 481.043 2.060 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCSCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1300505337 ZVIIITMASLCPOX-MRXNPFEDSA-N 490.577 2.062 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@]1(O)CCO[C@@H]1C 1300665449 JOSRSSBPCQVPIU-IECBHUPTSA-N 477.606 2.019 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(OC)c(F)c2)CC1 1300712384 QSJNEZZMXCXAAN-UHFFFAOYSA-N 491.527 2.087 30 10 JEEE C#CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1300733804 NUVDWICGZKXBRE-JOCHJYFZSA-N 489.001 2.259 30 10 JEEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 1300761199 AEWAJRJRYFONKU-IBGZPJMESA-N 457.575 2.179 30 10 JEEE C#CCSCCn1c(N2CCN(CC(=O)N(C)C)CC2)nnc1C1(c2ccccc2)CCC1 1300777720 BBGYGNZOGVDCJY-UHFFFAOYSA-N 466.655 2.325 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(OC(C)C)CC1 1300876429 SRGVLAPNEUOQOV-LMMKCTJWSA-N 455.625 2.263 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccnc2)nnc1N1CCC(C(=O)NCCOC)CC1 1300881475 OICUIBCEOWZXDS-LEWJYISDSA-N 454.575 2.300 30 10 JEEE C=CCN(CC=C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC1(O)CCS(=O)(=O)CC1 1301370837 JYDFKTBYRJYDSN-UHFFFAOYSA-N 473.599 2.265 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCn1c(C)nc2ccccc21 1301402798 IJTIRVRJPDDHKT-OAQYLSRUSA-N 485.614 2.148 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(c2ccsc2)CC1 1301589862 YWPNHTYOMTXMMU-GOSISDBHSA-N 484.669 2.227 30 10 JEEE CC(C)N(C)C(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1303251414 CBPHUMQLWAGYSO-LJQANCHMSA-N 484.626 2.335 30 10 JEEE COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)c1 1309026810 HZOJEEIBMSJFKK-UHFFFAOYSA-N 450.904 2.375 30 10 JEEE CN(C)C(=O)[C@H]1CCCN1CCCn1c(Cc2cccnc2)nnc1N1CCC(CC#N)CC1 1314628200 HEPXNVWJICSSPN-JOCHJYFZSA-N 464.618 2.337 30 10 JEEE CN1CC[C@](O)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](NC(=O)C(C)(C)C)C2)C1 1314922601 FXICMYDGOVFNLY-NBGIEHNGSA-N 465.602 2.014 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@](C)(O)[C@@H](C)CC 1358979166 FFZDLDWMSIDRRC-AXHZCLLHSA-N 459.591 2.456 30 10 JEEE C#CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1359052736 OJUDFLTVOBLQMW-KRWDZBQOSA-N 463.629 2.086 30 10 JEEE C=C(Br)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)COC)CC1 1359076368 ABPPWJVCMRDKFC-UHFFFAOYSA-N 491.390 2.351 30 10 JEEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1359077939 OPRLMYOCFGPHJM-BEFAXECRSA-N 469.384 2.396 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1359133376 QWZOGCHHEBCFCT-LJQANCHMSA-N 488.589 2.110 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCC(CC(=O)N2CCN(CC)CC2)CC1 1359297596 VSSBRPYXXYSJRJ-UHFFFAOYSA-N 497.619 2.157 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](CC)C1 1359298312 VDVGOMNJGMMDAW-WMZOPIPTSA-N 472.594 2.110 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(c2cccc(F)c2F)CC1 1359302296 BQCYRLOAMGQZBJ-UHFFFAOYSA-N 453.497 2.171 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(C(=O)C(C)C)CC1 1359328315 ZRNYSMPLDRGIAG-GOSISDBHSA-N 493.605 2.463 30 10 JEEE C#CCNC(=O)CN1CCCN(C(=O)CC[C@H](NC(=O)OC(C)(C)C)c2ccccc2)CC1 1464849402 QYZXTTLGMUFLFJ-NRFANRHFSA-N 456.587 2.316 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCC2(C(=O)OC(C)(C)C)CCOCC2)s1 1469360999 LAFBQLRSFXUSEJ-UHFFFAOYSA-N 458.602 2.010 30 10 JEEE CCC[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc(F)c2C#N)CC1)OC 1500126723 FHDMZCZOPFIQSK-QZTJIDSGSA-N 490.605 2.333 30 10 JEEE Cn1cc(-c2nnc(N(CCC#N)CC3CC3)n2Cc2cccc(CS(C)(=O)=O)c2)cn1 1503645196 BNWHJSZYYJDNQQ-UHFFFAOYSA-N 453.572 2.402 30 10 JEEE C#CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC(NS(C)(=O)=O)CC1 1507553332 DHCICOYUECTIRD-UHFFFAOYSA-N 472.615 2.469 30 10 JEEE C#CCCCn1c(N2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)nnc1[C@@]1(OCC)CCOC1 1507599213 LUUXJMQAZZVRCB-NFBKMPQASA-N 479.647 2.174 30 10 JEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1cccc(C(=O)NCC)c1 1507604212 IADZULXALOAZAD-UHFFFAOYSA-N 479.610 2.414 30 10 JEEE C#CCN(c1nnc(C(C)C)n1Cc1ccc(N2CCCCC2)nc1)[C@H]1CCS(=O)(=O)C1 1507623824 XSBCZEPCVMUOQA-FQEVSTJZSA-N 456.616 2.462 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1CC[C@@](C)(O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1507629280 LWKAMDSCLSAZHB-GBXCKJPGSA-N 467.595 2.208 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1OCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1507630063 YZTKOWUYFMMLJC-IAGOWNOFSA-N 463.991 2.435 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@H](OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1507639036 IYPRHBZAETZDKE-CTNGQTDRSA-N 458.584 2.217 30 10 JEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(N2CCCC2)nc1 1507657619 UKPLJGMFZTVPAT-UHFFFAOYSA-N 459.579 2.386 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccccn2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1507709120 ROOAFSORWMTCBJ-UHFFFAOYSA-N 460.586 2.011 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2ccnc2C)CC1 1507733797 AUYPHOKRNSTKAH-UHFFFAOYSA-N 456.554 2.378 30 10 JEEE C=C(Br)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)COC)CC1 1507777580 JHCSCBCVHQLJOT-UHFFFAOYSA-N 465.308 2.057 30 10 JEEE C=C(Br)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1507783309 BWUZWAKNLQJLKF-WMLDXEAASA-N 498.403 2.169 30 10 JEEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 1507832289 XVBMNWHSPGFDAV-KRWDZBQOSA-N 453.609 2.497 30 10 JEEE C=C1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CCOCCN(C)C)CC1 1507879691 GNIKCXSECBZRKJ-UHFFFAOYSA-N 461.636 2.281 30 10 JEEE C=CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCCN(CC(F)(F)F)CC1 1508058081 OMYDUISKKOABCD-UHFFFAOYSA-N 457.526 2.499 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2oncc2C1 1508104607 JUVUBVBRJRGCPU-HNNXBMFYSA-N 458.544 2.052 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1508140508 IROOJXJQFXAEMP-MSOLQXFVSA-N 453.609 2.006 30 10 JEEE CN(CCS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CSCCS1 1517352668 HNMAKXRJRUPRIZ-QGZVFWFLSA-N 467.642 2.058 30 10 JEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2C)cc1 1534003257 PUXWUXYATHVFGO-UHFFFAOYSA-N 451.570 2.304 30 10 JEEE COC[C@]1(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCN(C(=O)OC(C)(C)C)C1 1538383186 CAEFCYBPRYERAB-DVECYGJZSA-N 456.543 2.443 30 10 JEEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCN1CCN(Cc2ccccc2)CC1 1539156053 ZKEAVOREWKQZHB-AREMUKBSSA-N 466.630 2.206 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](C)N1CCc2ccccc2C1 1539395619 FHEASGDSFTVAFF-FQEVSTJZSA-N 473.581 2.458 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCOc2cccc(Cl)c2)CC1 1539467015 LPAYVPRPWAGXJE-UHFFFAOYSA-N 472.977 2.115 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@@]2(OC)CCOC2)CC1 1539488501 KQIUBIVCUVJUPG-SANMLTNESA-N 481.597 2.245 30 10 JEEE C#CCSCCn1c([C@@H](C)CC)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1539491058 LIHRQHVJNIFXNI-KRWDZBQOSA-N 460.648 2.098 30 10 JEEE C=CCn1c(COc2ccccc2OCC)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1540860414 LHHRXIUOGOBXOA-UHFFFAOYSA-N 463.542 2.262 30 10 JEEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@@H](C)O[C@H](C)C1 1540870789 XCWVAQKZKVALIU-IAGOWNOFSA-N 462.595 2.308 30 10 JEEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 1540874114 VOPAFUKSJIQIMS-UHFFFAOYSA-N 486.642 2.214 30 10 JEEE CC(=O)N1CCN(CCn2c(-c3ccccc3Br)nnc2N2CC[C@](F)(C#N)C2)CC1 1541005125 KMDGYRSSNDTDFV-NRFANRHFSA-N 490.381 2.314 30 10 JEEE CC(C)[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](CC(N)=O)C1)N1CCOCC1 1541310337 FBYDNILNCZQDFT-GGAORHGYSA-N 495.628 2.177 30 10 JEEE CCN1CCN([C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(CC)[C@@H](C)C2)CC1 1547700256 HVJQNKIEENOWGN-LEWJYISDSA-N 450.635 2.373 30 10 JEEE COCCN(C)CCCn1c([C@H]2CCOC2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1555522492 ATAWGMDRSAVRHH-VXKWHMMOSA-N 454.575 2.200 30 10 JEEE C=CC1(CC(=O)NC2CCN(S(=O)(=O)C(F)(F)F)CC2)CN(C(=O)OC(C)(C)C)C1 1566287391 CLTDJMDIWGOESV-UHFFFAOYSA-N 455.499 2.230 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN(C)C(=O)OC(C)(C)C 1587600302 XAVXQGFEKPMOPQ-INIZCTEOSA-N 451.535 2.246 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCOC[C@@H]1CCCO1 1587633799 YTSXOGJQJJPFKQ-FPOVZHCZSA-N 453.591 2.496 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCO[C@@H]2C(=C)C)c1 1587692597 GLTAEOAYDAYCEP-GREBRCKQSA-N 462.554 2.267 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2C[C@H](C)N2CCOCC2)c1 1587697038 IIYQXLOECYNFAX-FQEVSTJZSA-N 473.581 2.041 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(C)nc3ccccc23)n1CCN1CCCS1(=O)=O 1588189284 HCQDNMQIEXCZNJ-UHFFFAOYSA-N 462.579 2.300 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@](C)(O)C(C)C)CC1 1588899883 ZFJRGKCDSYSPSV-RUZDIDTESA-N 469.586 2.335 30 10 JEEE C#CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCN(C(C)=O)CC1 1589069533 LBJSOSFKSJHZPK-LJQANCHMSA-N 492.646 2.012 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(Cn2nc(C)cc2C)n1C[C@H](C)CN1CCN(CC)CC1 1589234572 UYIZAIRIAJNGKU-CJFMBICVSA-N 452.651 2.405 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(CC(=O)NC)CC1 1589570881 XAXMLDFOSMGNMR-OFNKIYASSA-N 455.607 2.473 30 10 JEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(OC[C@@H]2CCCCO2)CC1 1594732520 FQQFXOITBCWSEK-SFTDATJTSA-N 497.662 2.132 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)Cc1cnn(C)c1C 1595805939 YOBDEBPOKFPWIM-FQEVSTJZSA-N 472.571 2.070 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@@H](Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@H](C#N)C2)C1 1597461994 HRKVNXHOCBRLGQ-QZTJIDSGSA-N 496.572 2.301 30 10 JEEE CN(CCN1CCOC(C)(C)C1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCOC1 1618297760 BGMDPSSRPJQPCE-FQEVSTJZSA-N 454.575 2.312 30 10 JEEE COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2C[C@H](C)O[C@H](C)C2)CC1 1618897028 AFNNLQGDZIAHAP-KDURUIRLSA-N 467.574 2.204 30 10 JEEE C=CCn1c(S)nc2cc(C(=O)N3CCC[C@@H](CNC(=O)C(F)(F)F)C3)ccc2c1=O 1641623854 GLCBFSDCOPGZGS-LBPRGKRZSA-N 454.474 2.402 30 10 JEEE N#Cc1ccc(N2CCN(C(=O)Nc3ccc(CC(=O)N4CCSCC4)cc3)CC2)cn1 1658912178 DMZIRBWODYCEJN-UHFFFAOYSA-N 450.568 2.425 30 10 JEEE C#CCN([C@@H]1CCOc2ccc(Br)cc21)S(=O)(=O)c1cc(C(=O)OC)[nH]n1 1661573610 BVDXKZWKHIKMRD-CQSZACIVSA-N 454.302 2.107 30 10 JEEE C#CCOc1ccccc1NC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 1668154284 XELUQIYRBJXTFM-UHFFFAOYSA-N 458.540 2.430 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1690006526 RRIDMRARZKQBDL-UHFFFAOYSA-N 475.509 2.181 30 10 JEEE C#CCN(CC#CC)c1nnc(Cc2cccnc2)n1Cc1ccccc1S(=O)(=O)N(C)C 1690049816 ISTTWHNTXBKBSZ-UHFFFAOYSA-N 462.579 2.025 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](C)N1CCOCC1 1690087125 LELXQOPGYVKFDX-IBGZPJMESA-N 477.544 2.425 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)c1ncc(C)s1 1690205905 BOZFDTAAWFKHJW-HZUJVAHNSA-N 478.644 2.172 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccn2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1690243062 GXTCNHGGZNXOLZ-XLIONFOSSA-N 460.604 2.182 30 10 JEEE C=C(Cl)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCN(C)C(=O)[C@H]1C 1690350175 ADQXVTAHVRNEIT-LJQANCHMSA-N 458.010 2.062 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCOc2ccc(S(C)(=O)=O)cc2)CC1 1690410861 ZYDGHGAYWVVOPS-LJQANCHMSA-N 459.572 2.114 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CC[C@](C)(C(=O)NC)C1 1690662991 IPNGAJGCZVFGMC-SFHVURJKSA-N 467.393 2.034 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H]2CCS(=O)(=O)C2)C1 1690684820 PFBGNELYYSVUTF-QUCCMNQESA-N 473.599 2.363 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1690717618 LCPBTDFOOJLNSU-CQSZACIVSA-N 461.009 2.069 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CC2(COC)CCC2)c1 1705504421 VYAVJZCXYDKDIR-UHFFFAOYSA-N 464.570 2.387 30 10 JEEE C#CCCCn1c(Cn2ccc3ccccc32)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1705538682 XFWRCCPAMLTBEP-IBGZPJMESA-N 454.600 2.460 30 10 JEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCCN(C(C)C)C1 1705544760 CQRLAQZHASOOSU-IBGZPJMESA-N 458.632 2.385 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@H](OC)C(C)(C)C)CC1 1705640271 LVGCYJNLSZKGGO-VQTJNVASSA-N 490.649 2.403 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@](C)(O)c2ccco2)CC1 1705643381 DFEFJGHTDFZCDQ-CEYNDMKZSA-N 484.601 2.305 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2ccccc2OC)CC1 1705737574 VMRZPBOIRAPSKB-OAQYLSRUSA-N 489.642 2.104 30 10 JEEE C=C(Cl)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1705745992 KVXKYCIESAZQBF-CYBMUJFWSA-N 494.785 2.331 30 10 JEEE C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1705806812 NCFRTZRTKGLWIU-GOSISDBHSA-N 453.547 2.127 30 10 JEEE C=CCN(c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(C(N)=O)CCOCC1)C1CC1 1705853569 BZDXARALAPFJEB-SFHVURJKSA-N 490.605 2.023 30 10 JEEE C=CCn1c(CCCc2ccccc2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1705892463 INTLFMLTNRVOIE-OAQYLSRUSA-N 459.616 2.270 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](c2ccccc2Cl)C1 1705927896 IEOWSGARIDUKFY-SFHVURJKSA-N 482.006 2.248 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CC[C@@H](C(=O)N(C)c2ccccc2)C1 1705934995 DBSRAZPTJRVIJR-HXUWFJFHSA-N 494.621 2.354 30 10 JEEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 1722321344 DFUCOEMUFIXTFB-UHFFFAOYSA-N 462.514 2.276 30 10 JEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCn1c(O)nc2ccccc21 1722354880 LQRLNAJOEQORFZ-IBGZPJMESA-N 481.557 2.411 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H]1CCCN(C(C)C)C1)[C@H]1CCS(=O)(=O)C1 1722360405 GZAIBQJILVACJE-CTNGQTDRSA-N 456.616 2.087 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@]1(O)CCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1722364024 WGHZANTUXLCJLL-LYHRCORUSA-N 458.584 2.132 30 10 JEEE C#CCN(c1nnc(CC)n1C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1 1722365826 FVJLETUEIDFFPO-ROUUACIJSA-N 465.620 2.114 30 10 JEEE C#CCN(c1nnc(CC)n1Cc1ccc(OCC(F)(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 1722369103 YLNOJGBBNVZRBA-MRXNPFEDSA-N 456.490 2.457 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1722428083 BTMAKKCPVQFKGJ-QFIPXVFZSA-N 467.618 2.191 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCCc2nccs2)CC1 1722434234 OBNDPHQWLICURS-UHFFFAOYSA-N 499.666 2.040 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCN(C)[C@H](C)CC)CC1 1722437382 MEYMHMXJVGTMFY-NHCUHLMSSA-N 489.665 2.072 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2CCc2cccc(C(=O)N(C)C)c2)CC1 1722444128 FWZKLRRWWZCCAD-UHFFFAOYSA-N 450.587 2.312 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccccc2COC)CC1 1722444333 XGKLLXLPEHALBB-AREMUKBSSA-N 481.597 2.091 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2Cc2ccc(NC(C)=O)nc2)CC1 1722449546 UDVNEVMFHGZTIY-UHFFFAOYSA-N 489.555 2.376 30 10 JEEE C=C1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@H](C)N2CCOCC2)CC1 1722566305 OTYCFHCHINCFFM-UXHICEINSA-N 476.622 2.464 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1722722350 NEKRTEKLKCITOY-YLJYHZDGSA-N 479.578 2.059 30 10 JEEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(N(C)C)CCSC2)C[C@H](C)O1 1730608631 DWQWXXJHRUJJMR-NSXLHWASSA-N 486.642 2.406 30 10 JEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCN(C)CC(F)(F)F 1740601883 LZIVDBUIKRCVMJ-UHFFFAOYSA-N 457.526 2.110 30 10 JEEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1Cc1ccc(OC)nc1OC 1740654011 AQWKHGOPRCTNLP-UHFFFAOYSA-N 455.522 2.440 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccccc1OC)N1CCCC1 1740657579 SZRPKJSXLWYTED-GMAHTHKFSA-N 495.649 2.489 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(Br)cc3)n2C[C@@H](C)N(C)C)CC1 1740699333 BWYQRHWXOWGJGV-QGZVFWFLSA-N 461.408 2.325 30 10 JEEE C#CCSCCn1c(CSc2ccc(C)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1740722429 IZCNBHZPOANIKM-UHFFFAOYSA-N 472.684 2.455 30 10 JEEE C=C(Br)Cn1c(-c2cccc(C)n2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1740742757 AOFNQGUXPYWZNR-UHFFFAOYSA-N 469.409 2.417 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCS(=O)(=O)N1CCSCC1 1740905246 PNPHOZROUNPKSX-IAGOWNOFSA-N 457.666 2.198 30 10 JEEE CC(C)CC[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1741501469 AOFAIJFJMYHCLN-CJFMBICVSA-N 481.601 2.472 30 10 JEEE CC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(NS(C)(=O)=O)CC2)CCOCC1 1742012347 AAWLKHLSSMACEF-UHFFFAOYSA-N 488.614 2.063 30 10 JEEE CNC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCn2ccnc2C)C1 1748189067 DFWBMKPLHLSUJX-HXUWFJFHSA-N 462.558 2.286 30 10 JEEE C#CCCCCn1c(N2C[C@@H](O)[C@H](CC(=O)OC)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1748730371 KXZNFTNIWWRSTQ-AKHDSKFASA-N 475.590 2.213 30 10 JEEE C#CCCCn1c(N2CCC[C@H](CNS(C)(=O)=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1748764892 ZKPWMJROCNFYFV-QRVBRYPASA-N 494.662 2.228 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccc(Br)cc2)n1Cc1nnnn1CC1CC1 1748855946 MQAQYTUAIKPAFE-UHFFFAOYSA-N 481.358 2.137 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(N2CCS(=O)(=O)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1749141011 WMOVOJAGEZBIHN-AKHDSKFASA-N 495.646 2.265 30 10 JEEE C=C(C)COCCn1c(CC2CC2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1749234306 CUYZDPJMNJYZQU-UHFFFAOYSA-N 466.633 2.099 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@]1(OC)CCOC1 1749554182 QGEXXTOBLZKOKH-OXJNMPFZSA-N 452.602 2.240 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCS(=O)(=O)C1 1749574697 CPIRLGXMBFYIOM-ROUUACIJSA-N 481.619 2.200 30 10 JEEE C=CCNC(=O)Cn1c(N2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)nnc1[C@]1(OCC)CCOC1 1749681966 LJQITTBPFWXJLN-KYNGSXCRSA-N 458.390 2.253 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@]2(C)CN(C)C2=O)C1 1749693960 MXFURDQNOHZENS-YADARESESA-N 452.559 2.407 30 10 JEEE C[C@H](CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](C#N)C1)N1CCCCC1 1751109030 HFGRCKGHCQDSFH-QUCCMNQESA-N 472.615 2.342 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CCCC3)n2CCN2CCN(C(C)=O)CC2)c1 1760128583 MPKBMTQLBDPBOJ-UHFFFAOYSA-N 477.613 2.156 30 10 JEEE C#CCCCCn1c(Cc2cccnc2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1760140192 FGJASVGQMSSHPK-URXFXBBRSA-N 463.630 2.446 30 10 JEEE C#CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(CS(C)(=O)=O)CC1 1760172404 PWZOEIQRIKOYTH-KRWDZBQOSA-N 465.620 2.287 30 10 JEEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCc1nc(C)no1 1760219066 TZSJXYDLQYTDKT-UHFFFAOYSA-N 459.558 2.239 30 10 JEEE C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1CC1(N2CCCC2)CCOCC1 1760251001 PMSOKTBXVSIRPJ-UHFFFAOYSA-N 458.632 2.365 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1760313390 NMPCZLQTDYRQTI-HFJQGTKSSA-N 479.647 2.193 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1760313457 OFKWTZXQQDARHI-SBHAEUEKSA-N 460.623 2.087 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](Cc2ccc(F)cc2)C1 1760346384 VWMABLAFUMIZRF-QUCCMNQESA-N 463.579 2.395 30 10 JEEE C=C(C)COCCn1c(N2CCN(C(=O)c3ccco3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1760361005 DDYDPZIAYPFIKS-XMMPIXPASA-N 473.574 2.467 30 10 JEEE C=CC1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@]2(O)CCO[C@H]2C)CC1 1760398765 LTSKJFTXYFTRIR-GAJHUEQPSA-N 475.615 2.138 30 10 JEEE C=CCCOCCn1c(-c2noc3c2COCC3)nnc1N1CCC(S(=O)(=O)CC)CC1 1760449466 KSFNIKAACVUBAN-UHFFFAOYSA-N 465.576 2.002 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(N(C)C)c(F)c2)C1 1760543632 QLEAKNKRAJJGPA-QZTJIDSGSA-N 463.579 2.215 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1760551935 XDALNSDZFBLQJR-CSODHUTKSA-N 450.561 2.220 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1760556478 FFWQJLWBNWSUMT-UHFFFAOYSA-N 491.621 2.059 30 10 JEEE C=CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)CCN1CCOCC1 1760564353 WZSIINQGBPBIDL-UHFFFAOYSA-N 455.588 2.282 30 10 JEEE CCN(CC)c1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@](C)(C#N)C2)cn1 1764929774 ACMPNIUFPUIFLP-VGSWGCGISA-N 474.635 2.308 30 10 JEEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H](c2ccc(F)cc2)N(C)C)CCOC1 1765921361 DHIUSSWGOFSZGO-ZRCGQRJVSA-N 458.538 2.101 30 10 JEEE CSC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)CC1 1770476223 GSFQAVNQZOCXFZ-INIZCTEOSA-N 476.628 2.094 30 10 JEEE O=C(O)CNC(=O)C[C@H]1SC(=NN=Cc2ccc(Cl)cc2)N(c2ccc(O)cc2)C1=O 1772723208 XOSVWOSBKFTGCH-MRXNPFEDSA-N 460.899 2.475 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCNC(C)=O)[C@@H]2c2ccc(OC)c(O)c2)cc1C 1862403803 FHCFKVMPUHMEBF-OAQYLSRUSA-N 454.479 2.432 30 10 JEEE CN(C)[C@H](CNC(=O)[C@@H](Cc1ccccc1)N=C1NS(=O)(=O)c2ccccc21)c1ccc(O)cc1 1869931757 HCQYUPZXQIDNPO-DHIUTWEWSA-N 492.601 2.461 30 10 JEEE C=CCN(CC=C)c1nc(NC(=O)COc2ccccc2OCC)n([C@H]2CCS(=O)(=O)C2)n1 1870004721 IXVODZLLVNCFIK-KRWDZBQOSA-N 475.571 2.232 30 10 JEEE C=CCn1cc(OCC(=O)Nc2cc(OC)ccc2OC)c(=O)cc1CN(CCOC)CCOC 1870736561 HUDQFHDMEKRVBD-UHFFFAOYSA-N 489.569 2.164 30 10 JEEE CC(C)N1C(=O)CS[C@H](C(=O)Nc2cnc(N3CCOCC3)nc2)[C@@H]1c1ccc(C#N)cc1 1889379031 COWCABVTSSLMIG-SFTDATJTSA-N 466.567 2.217 30 10 JEEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)c3ccc(N4CCCC4=O)cc3)CC2)CC1 1889464413 GVPITCCENKCOBM-UHFFFAOYSA-N 466.626 2.464 30 10 JEEE CC(C)N1C(=O)CS[C@H](C(=O)N2CC[C@@H](Oc3ncccn3)C2)[C@H]1c1ccc(C#N)cc1 1891291324 UKSROAVGLCYZHJ-NRSPTQNISA-N 451.552 2.422 30 10 JEEE N#Cc1ccnc(OC[C@H]2CCCN(C(=O)[C@H]3CC(=O)N(c4ccc5c(c4)OCCO5)C3)C2)c1 1891499535 MEXBSMGBQAIOBH-OALUTQOASA-N 462.506 2.395 30 10 JEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CC(=O)N2CCC=C(B3OC(C)(C)C(C)(C)O3)C2)C1 2189214501 KSYNLOMEKBWROY-KRWDZBQOSA-N 484.424 2.201 30 10 JEEE CC(C)(C)OC(=O)N1[C@H](C(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)C[C@H]2OCC[C@H]21 2206613997 ZYPRNZXOMXWROV-IXDOHACOSA-N 459.352 2.486 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CC[S@@](=O)(=NC(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)C1 2255532765 OVWQRXTZLMKJOL-ICNDJQDOSA-N 471.410 2.348 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCOC[C@@H]1NC(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2255709463 WRSKDPYEEFPFQW-CABCVRRESA-N 452.382 2.459 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](NC(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2255879266 MMFMTFABFYAFHH-GJZGRUSLSA-N 452.382 2.147 30 10 JEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2256614253 MFZPIBROMZYTSL-QWHCGFSZSA-N 453.370 2.263 30 10 JEEE C=C(CS(=O)(=O)N1C[C@H]2CCO[C@@]2(CNC(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2267469781 ATAQSXCKBNTRLC-IERDGZPVSA-N 472.413 2.119 30 10 JEEE CNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1C 2267702194 CBYAPNPEPYNJBO-UHFFFAOYSA-N 458.389 2.231 30 10 JEEE CC(C)(CNC(=O)OC(C)(C)C)NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(O)cc1O 2267810104 GHPLFNOLHJDIIU-UHFFFAOYSA-N 450.341 2.430 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CC(C(=O)NCc2sccc2B2OC(C)(C)C(C)(C)O2)=C[C@H]1O 2268715339 POIGCMSZKPALAU-HZPDHXFCSA-N 464.393 2.248 30 10 JEEE Cn1ncc(C(=O)N2CCN(Cc3ccccc3)CC(F)(F)C2)c1B1OC(C)(C)C(C)(C)O1 2281828253 HUWVOMHJUDAOMO-UHFFFAOYSA-N 460.334 2.313 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CN(C(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)[C@@]2(CCOC2)C1 2281829350 XJEMBMATGVSHAU-MWTRTKDXSA-N 462.352 2.477 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H]2OCCN(C(=O)c3coc(B4OC(C)(C)C(C)(C)O4)c3)[C@@H]2C1 2281829598 AKVMQFYUDNQMOM-SJORKVTESA-N 462.352 2.429 30 10 JEEE Cc1c(C(=O)N2C[C@@H]3CC[C@]3(NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281979480 NTBLBMKWSFOXRD-WNSKOXEYSA-N 460.384 2.157 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@](C)(NS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282347294 WEXSIQKDNRVZKM-QFIPXVFZSA-N 481.424 2.449 30 10 JEEE CCc1nc(C(=O)NCC2(CNC(=O)OC(C)(C)C)COC2)c(B2OC(C)(C)C(C)(C)O2)s1 2282521550 YKDXUDDJGKEEAI-UHFFFAOYSA-N 481.424 2.276 30 10 JEEE C[C@H]1C[C@H](CNC(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)CCN1C(=O)OC(C)(C)C 2282552477 KPFIMPHSCHLCPV-JKSUJKDBSA-N 462.400 2.485 30 10 JEEE Cn1cc(C(=O)N[C@H]2C[C@@H](CNC(=O)OC(C)(C)C)C2(C)C)nc1B1OC(C)(C)C(C)(C)O1 2282554133 YTSMADUWUMFDDZ-HOCLYGCPSA-N 462.400 2.389 30 10 JEEE Cc1ccnc(C(=O)NC[C@@H]2COCCN2Cc2ccccc2)c1B1OC(C)(C)C(C)(C)O1 2282570953 OGENPTXIYXAONX-HXUWFJFHSA-N 451.376 2.320 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1[C@H]2CCCN(C(=O)OC(C)(C)C)[C@H]21 2282586584 AGQHNZPAUCEHJC-DJIMGWMZSA-N 460.384 2.155 30 10 JEEE CN(C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2282628348 NCFDJOJDRCCJLJ-INIZCTEOSA-N 460.384 2.495 30 10 JEEE CC(C)(C)OC(=O)NCCN1CCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CC1 2282677047 SRSBZAAWJOUCNP-UHFFFAOYSA-N 459.396 2.268 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](NS(=O)(=O)c2ccc(F)c(B3OC(C)(C)C(C)(C)O3)c2)CCO1 2282845366 RFACCPFRKRQCRY-AWEZNQCLSA-N 486.371 2.344 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@@](Oc2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)(C(N)=O)C1 2283013973 XPPXGCMKYRSQDM-QHCPKHFHSA-N 461.368 2.202 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H](O)CCC(=O)N1Cc2cccc(B3OC(C)(C)C(C)(C)O3)c2C1 2283970312 FSHCQVODLCPKIX-KRWDZBQOSA-N 460.380 2.494 30 10 JEEE C[C@H](OCc1ccccc1)[C@H](NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1O)C(=O)O 2284429221 BTZASEAZRNVKBZ-YWZLYKJASA-N 455.316 2.480 30 10 JEEE CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2285162174 FUXMQGOFKNWMAQ-SFHVURJKSA-N 465.375 2.196 30 10 JEEE CN[C@H](C#Cc1cccc(Br)c1)[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 2296224036 GNTGSZSOAMTUPZ-SJORKVTESA-N 457.390 2.423 30 10 JEEE CC(C)(C#C[C@H](NN)c1ccc(I)c(Br)c1)S(C)(=O)=O 2365184041 BYYSPAGAYKHHLH-LBPRGKRZSA-N 471.158 2.385 30 10 JEEE CO[C@H](CNC(=O)OC(C)(C)C)CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn1C1CC1 2365476292 CWAZKPXHMBDPBG-KRWDZBQOSA-N 463.384 2.392 30 10 JEEE Cn1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H]3CCC[C@H]32)nc1B1OC(C)(C)C(C)(C)O1 2367687891 XRSUGVLGASGYMK-SJORKVTESA-N 460.384 2.333 30 10 JEEE COc1ccc(C(=O)CSc2nnc(N/N=C/c3cccc([N+](=O)[O-])c3)n2N)cc1OC 20291851 KGAYVXJPYDFFDA-UFFVCSGVSA-N 457.472 2.338 30 10 JEEE COc1ccc(CNC(=O)CSc2n[nH]c(N/N=C/c3cc([N+](=O)[O-])ccc3O)n2)cc1 58997299 ZJJCOMZUALZZID-UFFVCSGVSA-N 457.472 2.282 30 10 JEEE Cc1nn(CCO)c(C)c1/C=N/Nc1nc(SCC(=O)NCc2cccc(Cl)c2)n[nH]1 59887797 SBEPMYVMNRDWPI-LSHDLFTRSA-N 462.967 2.118 30 10 JEEE N#Cc1cccnc1N1CCN(C(=O)CCn2cnc3ccc(Br)cc3c2=O)CC1 105547789 LKJGGFRUJXEOTO-UHFFFAOYSA-N 467.327 2.165 30 10 JEEE C=CCn1c(=C(C#N)C(=O)Nc2ccc(OC)c(Cl)c2)sc(=Cc2ccccn2)c1=O 254383999 IJVSOPZWOCGMAH-UHFFFAOYSA-N 452.923 2.295 30 10 JEEE O=C(N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc2c(c1)OCCO2)c1ccc2c(c1)OCO2 254678975 HCLFMJGZPOMOHH-IFXJQAMLSA-N 474.516 2.102 30 10 JEEE N#Cc1ccc(CNC(=O)CCn2c(=O)oc3cc(S(=O)(=O)N4CCCC4)ccc32)c(F)c1 609228704 GVCDCJZPMAECPT-UHFFFAOYSA-N 472.498 2.096 30 10 JEEE C#CCN(C(=O)CCN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 729331287 LMOIPMAUNBOIAG-NRFANRHFSA-N 474.604 2.229 30 10 JEEE COc1ccc(C(=O)CSc2nnc(NN=Cc3cccc([N+](=O)[O-])c3)n2N)cc1OC 1084579803 KGAYVXJPYDFFDA-UHFFFAOYSA-N 457.472 2.338 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CC(C)(C)CC)[C@H]1CCS(=O)(=O)C1 1286385633 YAZCQOZRECURQD-AVRDEDQJSA-N 452.621 2.382 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1CCN(C)[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1286388363 NXNGHKOCJRXKRS-PKOBYXMFSA-N 473.599 2.031 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1Cc1ccncc1Cl)[C@H]1CCS(=O)(=O)C1 1286394284 IJXMLTAJWMZVKB-IBGZPJMESA-N 496.980 2.452 30 10 JEEE C#CCN(CCOC)c1nnc(Cc2ccncc2)n1C[C@@H]1C[C@@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1286466970 OVBLWLBIZUJBJQ-FSSWDIPSSA-N 496.612 2.374 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCCN(C)C(=O)OC(C)(C)C)CC1 1286473141 PIYGUPWKTUGFKC-VWLOTQADSA-N 490.649 2.331 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCc2cc(F)cc(F)c2)CC1 1286489721 DKXIAEQSDUYSQW-UHFFFAOYSA-N 453.497 2.165 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3noc4c3COCC4)n2C[C@@H](OC)[C@@H](C)CC)CC1 1286490618 NRROGEHHWURATQ-OXJNMPFZSA-N 470.574 2.033 30 10 JEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccnc(OC2CCCCC2)c1 1286727568 UHJOEJMREPHESR-HXUWFJFHSA-N 490.630 2.388 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1286779652 KZJRDZPCMWYWKC-UHFFFAOYSA-N 497.506 2.206 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCCN(C(=O)c2cccc(F)c2)CC1 1286786241 ABOJQOMVPJGOBV-UHFFFAOYSA-N 477.544 2.442 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1286802305 SIYOJDPKAWSMKV-QRWLVFNGSA-N 470.954 2.069 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1286822118 HERCCSVTYVGQMU-LJQANCHMSA-N 490.630 2.310 30 10 JEEE Cc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@](C)(C#N)C2)cc1 1289680339 GASDOBDJBANWAM-DENIHFKCSA-N 458.588 2.098 30 10 JEEE CCn1cnnc1Cn1c(-c2cc(F)ccc2Br)nnc1N1CCO[C@@H](C#N)C1 1295953274 FDPRHPUIQPRKJM-ZDUSSCGKSA-N 461.299 2.235 30 10 JEEE CCS(=O)(=O)N(C)CCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(CC#N)CC1 1297729293 FTOQGGPVYLYLNF-UHFFFAOYSA-N 474.587 2.475 30 10 JEEE CN(C)C(=O)CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCOCC2)CC1 1297957337 FERICALLDOWQKP-UHFFFAOYSA-N 452.559 2.053 30 10 JEEE C#CCCCn1c(COc2ccccc2CC)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1300422591 UBIYHKMQCCIJES-IBGZPJMESA-N 462.558 2.365 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CCCCS1(=O)=O 1300596318 PLTKTZWGMCQWFD-HSALFYBXSA-N 489.642 2.479 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1300606618 PJUTUCOMTWWJKA-IBGZPJMESA-N 494.625 2.309 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCOc2cc(C)cc(C)c2)CC1 1300686237 YSPMQKFRYNZCEI-RUZDIDTESA-N 453.587 2.381 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)CCOC 1300870163 QQSHYCKFDNZJRG-UYAOXDASSA-N 463.604 2.259 30 10 JEEE C=C(Cl)Cn1c(-c2cc(Br)cn2C)nnc1N1CCN(CCOC)C(=O)C1 1301018957 OBCKFTXQBJBMBQ-UHFFFAOYSA-N 457.760 2.094 30 10 JEEE C=CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1301187529 WYEODYSVOXFXKF-IBGZPJMESA-N 459.620 2.432 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCn1ccnc1C 1301423883 CQQUVMUSYUWETI-LJQANCHMSA-N 475.594 2.430 30 10 JEEE C=CCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC(CNC(C)=O)CC2)cc1 1301526917 SDIAOLZYUNCTHR-OAQYLSRUSA-N 452.559 2.195 30 10 JEEE CC(C)Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCn1cc(Cl)cn1 1302953849 CWZISKSGMSJZNM-INIZCTEOSA-N 454.970 2.403 30 10 JEEE CCN(CC)C(=O)c1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@@H](C#N)C2)cc1 1313633892 FPVFHZMCDJCPRI-FQEVSTJZSA-N 488.552 2.184 30 10 JEEE CCn1cc(Cn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N2CCO[C@@H](C#N)C2)cn1 1313844867 HBOJKOLJHLGLIL-IBGZPJMESA-N 470.578 2.386 30 10 JEEE N#CCCN(CC1CC1)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCN(CC(F)(F)F)C1 1316536135 CJQPDWYSOGJXIA-QGZVFWFLSA-N 453.513 2.415 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1CCCSC)[C@H]1CCS(=O)(=O)C1 1358959632 MRUGFPVSIHCDAH-KRWDZBQOSA-N 464.613 2.342 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@](C)(O)c1cc(C)oc1C 1358976823 SDOLKPSBPYWOIC-AREMUKBSSA-N 470.533 2.382 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(Br)c2)n1CCNC(=O)c1cc[nH]n1 1358989956 VQASIZYDJYCAKP-UHFFFAOYSA-N 496.369 2.332 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCNC(=O)C1CCC1 1358993999 BJTSVDLLIKTVJQ-OAQYLSRUSA-N 498.628 2.356 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCCN2CCC(C)CC2)CC1 1359031324 XZVNCYOCFMXBQO-VWLOTQADSA-N 458.651 2.196 30 10 JEEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1359077661 IGULCYKLONSFQW-LSDHHAIUSA-N 465.414 2.314 30 10 JEEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 1359226868 OJXYTCKABMXWNP-FQEVSTJZSA-N 475.615 2.276 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)C[C@H]1CCOC1 1359299100 VIBJMYGWEZIOOO-QGZVFWFLSA-N 465.558 2.011 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCC(=O)N[C@@H](C)CC)C1 1359318339 BTGCUNYVAVVRFC-ZWKOTPCHSA-N 479.585 2.278 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@@H](C)C[C@H](C)C1 1359330895 GQRSGLIZFRUXBX-IRXDYDNUSA-N 470.599 2.275 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1359333740 IJCCFBAPAZEXFK-QGZVFWFLSA-N 494.687 2.366 30 10 JEEE C#CCN(C(=O)c1cc(S(=O)(=O)Nc2ccc(OC)cc2)ccc1O)C1CCN(C)CC1 1472033931 KRGABURYNOXKPM-UHFFFAOYSA-N 457.552 2.371 30 10 JEEE CCN(CC)C(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCOC[C@H]2OC)CC1 1501789804 DMVJGTUICYUXHP-FCHUYYIVSA-N 481.601 2.452 30 10 JEEE CCN1CCN(C[C@@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCO[C@@H](C)C2)CC1 1502345893 HJFGRRREOWBDIN-RTWAWAEBSA-N 467.618 2.227 30 10 JEEE COCCN(C)CCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1504849681 DUTODWGPNUFBDW-HXUWFJFHSA-N 471.581 2.088 30 10 JEEE COCCN(c1nnc(COc2ccc(C#N)cc2)n1CC(=O)N1CCOCC1)[C@@H]1CC[C@@H](C)C1 1504863349 DNYVGSCTCFVILO-TZIWHRDSSA-N 482.585 2.229 30 10 JEEE C#CCCCCn1c(-c2ccc(CC)cc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1507555808 FBROEFPNRLZOEG-UHFFFAOYSA-N 450.587 2.484 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCCn1nc(C)cc1C)[C@@H]1CCS(=O)(=O)C1 1507627299 DGFHJOKDVCNRPZ-JOCHJYFZSA-N 477.594 2.347 30 10 JEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(=O)NC1CCCCC1 1507641567 HNEJQMCSFLURIB-UHFFFAOYSA-N 481.626 2.068 30 10 JEEE C#CCN(CC#CC)c1nnc(Cc2ccc(Cl)cc2)n1CCS(=O)(=O)N1CCSCC1 1507670659 SRHGPRSAMWTVMI-UHFFFAOYSA-N 492.070 2.364 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1507792902 BNEYJEWUBIAJSC-BVSLBCMMSA-N 455.559 2.276 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCN(C)C(C)(C)C1 1508002325 DTVFNRBHTKMCDH-JOCHJYFZSA-N 486.686 2.399 30 10 JEEE C=CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CCC(=O)N1CCCCCC1 1508040867 CVXLLALJXFTKNZ-UHFFFAOYSA-N 458.563 2.437 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC=C(COC)CC1 1508134971 BNESDZUHSREOEU-UHFFFAOYSA-N 460.556 2.100 30 10 JEEE CC(C)COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)N2CCOCC2)CC1 1509445774 COXJXEJNZGCKBN-HXUWFJFHSA-N 481.601 2.452 30 10 JEEE CO[C@@H]1COCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1518634381 ACLHKNSYYNOZDZ-JFSTXAPLSA-N 468.602 2.414 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCN1CCOC(C)(C)C1 1538973099 KWMCYUKSHXZAGU-KRWDZBQOSA-N 473.647 2.115 30 10 JEEE C#CCCCn1c(-c2cnccn2)nnc1N1CCN(Cc2c(CC)nn(C)c2Cl)CC1 1539115435 BJWOICSYVOBNAB-UHFFFAOYSA-N 453.982 2.420 30 10 JEEE C#CCCCn1c(COc2ccc(C)cc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1539133472 IFYOCMWFYBABNG-UHFFFAOYSA-N 452.559 2.153 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H](C1CCCCC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1539215927 LPHDCTWIWKQGMW-TZIWHRDSSA-N 458.632 2.410 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H](C)c1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1539221921 SOEPRSFYEZDQAF-KFKAGJAMSA-N 461.588 2.207 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1C[C@H](C)N(C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1539225594 PIFTZOHYRUZBHK-UGKGYDQZSA-N 455.628 2.378 30 10 JEEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H](c1ccc(C)o1)N1CCOCC1 1539237403 CQEDXNRFAVQFPS-GJZUVCINSA-N 481.597 2.366 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc2c(c1)OCCCO2 1539397069 XRLPTCHXCGZSIV-UHFFFAOYSA-N 462.510 2.221 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(C3CCC3)n2CC2CCN(C(C)=O)CC2)n1 1539424449 PVYGIBXYSPTEHO-UHFFFAOYSA-N 453.591 2.287 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@H](C)CNC(=O)OC(C)(C)C)CC1 1539484491 QXXAYONRERYLBF-LJQANCHMSA-N 495.628 2.391 30 10 JEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC(NC(=O)c2ccc(F)cc2)CC1 1539526418 OMVIYAQTVXZBDW-UHFFFAOYSA-N 484.601 2.305 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2oncc2C1)C(C)C 1540150912 AESDLWXAMPJLSV-ICSRJNTNSA-N 474.631 2.430 30 10 JEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(Br)c1 1540858491 YWTLAZYCUGLCNE-MRXNPFEDSA-N 470.393 2.196 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1540864848 MWAUSNZCWOVRAA-UHFFFAOYSA-N 495.462 2.050 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCC[C@H]2CC)C1 1540893245 ZELAYAHJTWRMDA-WTGUMLROSA-N 467.636 2.219 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1540899329 KKFSCHKINMUABD-OAQYLSRUSA-N 470.599 2.210 30 10 JEEE CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1Cc1ccc(OC)cc1OC 1548170655 AGZOZKMOXYCUHB-UHFFFAOYSA-N 463.542 2.473 30 10 JEEE C#CCCCCn1c(Cc2c(F)cccc2F)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1587769497 IQAYMQONINICET-LJQANCHMSA-N 456.497 2.423 30 10 JEEE CC(=O)c1ccc(S(=O)(=O)NCCC(=O)Nc2cnn(Cc3ccc(C#N)cc3)c2)cc1 1587770030 PQJXAICSPWMPQL-UHFFFAOYSA-N 451.508 2.313 30 10 JEEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 1587904164 AIPNKVJIMZHGHK-IBGZPJMESA-N 459.510 2.161 30 10 JEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCC1CCN(CC)CC1 1587932291 ODPYENCTOFKOMK-UHFFFAOYSA-N 458.632 2.387 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCc1ccn(C)n1)[C@H]1CCS(=O)(=O)C1 1588030409 UPXOSOLFNLKVEE-XLIONFOSSA-N 486.573 2.160 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@H](C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 1588059408 NNLONTKCQLSLCX-CTNGQTDRSA-N 473.618 2.367 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H](C)N1CCC[C@@H](C)C1 1588099400 MBLHZHAJDORTFR-RTWAWAEBSA-N 482.654 2.389 30 10 JEEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1(N(C)C)CCOCC1 1588229015 PGLXXLYXZNBLPU-UHFFFAOYSA-N 476.629 2.026 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC[S@](=O)CC)CC1 1588890923 IOGGGOIGIJVXSQ-UAIZEJDJSA-N 475.590 2.292 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccccc2OCC)CC1 1588892164 YGNZQMFIADYWMS-SANMLTNESA-N 481.597 2.343 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2Cc2cc(OC)ccc2OC)CC1 1588913258 FAHXVHILCGCPQX-UHFFFAOYSA-N 462.554 2.315 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2Cc2c(CC)nn(C)c2CC)CC1 1588954273 CQRRBVHRYUWECH-UHFFFAOYSA-N 474.613 2.136 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(CC(=O)NC)CC1 1589570879 XAXMLDFOSMGNMR-NFBKMPQASA-N 455.607 2.473 30 10 JEEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 1593806472 BRKHRAPKZINYBR-AWEZNQCLSA-N 472.974 2.115 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(CC(=O)Nc2cccc(C)c2C)CC1 1595523062 OTGJQPAPOODUPI-UHFFFAOYSA-N 488.596 2.020 30 10 JEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC2CCCCC2)CC1 1595569397 GSKIDJXTYJATBO-UHFFFAOYSA-N 454.623 2.144 30 10 JEEE C=CCOc1ccc(Cn2c(N3CC[C@@H](S(C)(=O)=O)C3)nnc2[C@@]2(OCC)CCOC2)cc1 1595639810 LEOHUOZMULADQU-NFBKMPQASA-N 476.599 2.167 30 10 JEEE C=CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(C(=O)NC)CC1 1595851006 WIGAFJVLFNSWAZ-UHFFFAOYSA-N 492.671 2.077 30 10 JEEE CC(C)(C)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCS(=O)(=O)C2)CCO1 1597204195 GGCWLNSBZUYESS-UYAOXDASSA-N 473.599 2.415 30 10 JEEE COC(=O)C[C@@H](NC(=O)CNS(=O)(=O)c1cccc(C#N)c1)c1cccc2ccccc12 1611423274 BPPUOBSRLASKNY-OAQYLSRUSA-N 451.504 2.410 30 10 JEEE CC[C@H](N=c1nn[nH]n1-c1ccccc1)C(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 1635327892 CONHLENIIHHDGP-IBGZPJMESA-N 450.934 2.149 30 10 JEEE C#C[C@H](NS(=O)(=O)c1ccccc1S(=O)(=O)NCC)c1ccc(Br)cc1 1669427138 KPXPUVMRVFDQPF-HNNXBMFYSA-N 457.371 2.400 30 10 JEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CNC(=O)c2ccccc2)C1 1689930362 QDHRAAVMQHBWMJ-TZIWHRDSSA-N 469.611 2.240 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1CCN1CCCCCC1)[C@@H]1CCS(=O)(=O)C1 1689986461 QLWMGUJMLHDOLN-HXUWFJFHSA-N 471.627 2.456 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CCCc1nc(C)no1)[C@@H]1CCS(=O)(=O)C1 1689997104 VZQISUJDVGYCOA-LJQANCHMSA-N 484.582 2.116 30 10 JEEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2CCCN2CCCO[C@H](C)C2)CC1 1690126258 XISGUKVVODAQBP-HXUWFJFHSA-N 472.584 2.403 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2Cc2ncn(C)n2)CC1 1690138092 RVIOMDRRKJEVST-LJQANCHMSA-N 476.585 2.178 30 10 JEEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1690163716 ORRDZRSHLYPKJY-UHFFFAOYSA-N 488.061 2.494 30 10 JEEE C=C(Br)Cn1c(N2CCO[C@@H](c3nnc(C)o3)C2)nnc1[C@]1(OCC)CCOC1 1690234534 HNJBADLQEHGKRJ-KDOFPFPSSA-N 469.340 2.108 30 10 JEEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1690643557 HPMHVCHXYGEYFB-UHFFFAOYSA-N 470.578 2.165 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CC[C@H](CN2CCCCC2)C1 1690672714 ASKNLLRUZWLVLI-HXUWFJFHSA-N 452.603 2.492 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1690672757 CBKPGOYLIRQPAY-YOEHRIQHSA-N 453.465 2.336 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCOC2(CCOCC2)C1 1690681500 RRRCBDPDQMFNHA-UHFFFAOYSA-N 455.559 2.415 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(=O)N2CCCC2)CC1 1690720587 NAWYCWQNXQBEIN-UHFFFAOYSA-N 482.610 2.256 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCC[C@H](CN2CCOCC2)C1 1690725471 RFJQCQUIZHCQOP-JOCHJYFZSA-N 487.670 2.327 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCN(c2ccc(F)cc2)CC1 1690725609 WJJVOVNIGWTDFX-UHFFFAOYSA-N 470.574 2.330 30 10 JEEE C#CCN(c1nnc(C(C)C)n1Cc1ccc(CN2CCCC2=O)cc1)[C@H]1CCS(=O)(=O)C1 1705561746 WHKKKAQZEMRUHX-NRFANRHFSA-N 469.611 2.199 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1CCOC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1705562451 CKGBEQGDLLEXRG-YSIASYRMSA-N 488.610 2.262 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCC1(COC)CCC1)[C@H]1CCS(=O)(=O)C1 1705564683 DSOSYUYZONHFOW-OALUTQOASA-N 450.605 2.006 30 10 JEEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1705656859 LLTXVFNLYAYZOO-RXVVDRJESA-N 471.627 2.486 30 10 JEEE C#CCSCCn1c(N2CCN(Cc3ccc(C#N)cc3)CC2)nnc1[C@]1(OCC)CCOC1 1705665522 WKBJQVRJWBKKTQ-VWLOTQADSA-N 480.638 2.490 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C(F)(F)F)n1 1705674437 JAWIBLVLYMOVLK-OXQOHEQNSA-N 498.531 2.065 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1705697378 UUDHMDALUBCTGE-IRLDBZIGSA-N 496.612 2.108 30 10 JEEE C=C(C)COCCn1c(COc2cccc(C)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1705739338 CPJKQSOOPMXYSL-IBGZPJMESA-N 463.604 2.228 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(Cc2ccc3c(c2)OCCO3)CC1 1705930499 OUNZYJNBYUXQLR-UHFFFAOYSA-N 475.615 2.096 30 10 JEEE CCOC(=O)N[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(OC)CCOC2)C1 1710382977 DUDMSFZNGKGPPC-NTKDMRAZSA-N 484.557 2.249 30 10 JEEE C#CCN(C)c1nnc([C@H](C)OCCOC)n1C[C@@H]1C[C@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1722345740 RPBQZLSXJMSHFX-VJANTYMQSA-N 463.579 2.096 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H](C)c1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1722359774 AWFVPZMLGAUNTR-ICSRJNTNSA-N 450.568 2.474 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H]1CCCN(C(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1722360407 GZAIBQJILVACJE-PZJWPPBQSA-N 456.616 2.087 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@@](C)(O)CCC)[C@H]1CCS(=O)(=O)C1 1722361742 JICPIIZZERKFGG-JXFKEZNVSA-N 451.980 2.171 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H](C)Oc1ccccc1C)[C@H]1CCS(=O)(=O)C1 1722367274 MIBDLPMCIQKQAT-ZCNNSNEGSA-N 458.584 2.185 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCCN1CC)[C@H]1CCS(=O)(=O)C1 1722371891 MNIGMMCUEVGSQY-YADHBBJMSA-N 496.637 2.230 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CC(C)C)CC1 1722443283 GASICWQLHCGHHV-UHFFFAOYSA-N 471.631 2.168 30 10 JEEE C=C(Cl)Cn1c(Cc2csc(C)n2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1722578955 DXBXEJDVSNXNPK-AUUYWEPGSA-N 464.039 2.375 30 10 JEEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1722583512 ORTJUDUYXDRNOI-UHFFFAOYSA-N 466.546 2.048 30 10 JEEE C=CCN(CCc1ccco1)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(=O)N(C)C 1722676519 CEVLVROXALBPRH-UHFFFAOYSA-N 471.587 2.155 30 10 JEEE CCC[C@](C)(O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1727898987 DDQVTNAWEPBYDW-XDHUDOTRSA-N 483.621 2.124 30 10 JEEE COc1cc(OC)cc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H]2CCCCS2(=O)=O)c1 1730016195 FRWGTXPRXNJKEZ-NQIIRXRSSA-N 463.535 2.372 30 10 JEEE COC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1)OC 1730463114 GNFKWXMLADDZNB-HSZRJFAPSA-N 495.628 2.003 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@]1(OC)CCOC1 1740547529 XAPVAYKMHWMJRD-MZNJEOGPSA-N 450.543 2.499 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@H](C)N1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1740623392 SOOYZUONOOZKSW-NHCUHLMSSA-N 470.643 2.396 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@@H]2CCCN2CCCO)CC1 1740690731 MHJGZKCKRRCQDU-RTWAWAEBSA-N 470.593 2.159 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCOc2ccc(Cl)cc2)CC1 1740703962 DTXKSVWZQPUCCO-UHFFFAOYSA-N 467.961 2.377 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2CC2(S(C)(=O)=O)CCC2)CC1 1740707339 YUFOYLGZMNZIEC-UHFFFAOYSA-N 483.638 2.110 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(NS(C)(=O)=O)CC1 1740799395 KUAKFEPNNYQDIJ-RTBURBONSA-N 469.652 2.307 30 10 JEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C(C)(C)O)cc1)C1CC1 1740909982 FMJWSMPFXHFSKL-HXUWFJFHSA-N 475.615 2.042 30 10 JEEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1740963120 ZWWSFGXOVINBHA-KRWDZBQOSA-N 450.509 2.438 30 10 JEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCSC2(CCOCC2)C1 1741001740 CKSBWTMBOVGMQQ-INIZCTEOSA-N 458.675 2.202 30 10 JEEE COc1cc(Cl)ccc1-c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1748550783 ASPDHVGJMAMJDK-VLIAUNLRSA-N 482.969 2.331 30 10 JEEE C#CCN(c1nnc(COCC)n1Cc1c(F)cc(F)c(F)c1F)[C@H]1CCS(=O)(=O)C1 1748825334 XSLKOIKVBDTAIV-LBPRGKRZSA-N 460.453 2.046 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CCS(=O)(=O)C1 1748926910 YCKHWGSZOSNVJF-QZTJIDSGSA-N 465.620 2.287 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2C[C@@H](C)N2CCOCC2)CC1 1748977829 KEODJDJQMDDNIJ-YADHBBJMSA-N 482.629 2.293 30 10 JEEE C=C(C)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(C(=O)C(C)C)CC1 1749175216 UKZKNGYUYPLQTK-UHFFFAOYSA-N 459.620 2.427 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1749666638 OUOJKCIUPBNFFG-OALUTQOASA-N 492.628 2.457 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Br)nnc1N1CCN(C2CC2)C(=O)C1 1749730093 ZGCSBGFSXMTIDF-UHFFFAOYSA-N 494.415 2.119 30 10 JEEE C=CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCCN(S(C)(=O)=O)CC1 1749755564 JMQHEUUEIRJHKW-IBGZPJMESA-N 479.628 2.182 30 10 JEEE CC(=O)NC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCC[C@H]2CCCCO2)CCO1 1750021304 BYRAKXPPGWUZIV-GGAORHGYSA-N 482.585 2.419 30 10 JEEE C[C@H](Oc1ccccc1F)c1nnc(N2CCO[C@H](C#N)C2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1751270553 AQFNAKUFKDVUFV-ZVDOUQERSA-N 499.591 2.229 30 10 JEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@H](C)Cc1cccs1)[C@H]1CCS(=O)(=O)C1 1760178797 ATEDBUWOPJRURW-MSOLQXFVSA-N 475.640 2.081 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCCc1ccccc1)[C@H]1CCS(=O)(=O)C1 1760192692 WRHPRVMEMYJJPL-QFIPXVFZSA-N 466.611 2.399 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2COc3ccccc3O2)n1CC1CCS(=O)(=O)CC1 1760219784 NNPOONVMDWQCDQ-NRFANRHFSA-N 454.552 2.078 30 10 JEEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1cc(Br)cs1 1760250026 AMRJJNSUAPKHEI-UHFFFAOYSA-N 452.378 2.359 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(Cl)s1 1760294876 IUNUIKRBYIKSOL-DNVCBOLYSA-N 470.020 2.366 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CCSC 1760322278 QENLVMTZQXVGOX-YRXWBPOGSA-N 487.692 2.170 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C(C)C)N1CCCC1 1760336741 IEFUWJPPSHODBJ-PMACEKPBSA-N 468.668 2.134 30 10 JEEE C=CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCc2nn(C)c(=O)cc2C1 1760510784 OIVPKAKYPCEHNT-MRXNPFEDSA-N 455.563 2.235 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(c2cnccn2)CC1 1760518517 WLYODQMSAGZUDY-UHFFFAOYSA-N 456.913 2.156 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@H](CN2CCOCC2)C1 1760554800 MZCKKPOIRKGFIH-HXUWFJFHSA-N 494.061 2.282 30 10 JEEE CC(C)N(C)C(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCO[C@H]2C)CC1 1761158861 ALZSCUIZLCQAGI-AFMDSPMNSA-N 496.612 2.352 30 10 JEEE CC[C@H](C)NC(=O)c1cccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@H](C)C#N)c1 1762026164 HKRYXCPGKRPNDH-FUHIMQAGSA-N 472.615 2.353 30 10 JEEE N#C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cc(Cl)ccc2OC(F)F)CCO1 1770747177 GQKIGBRKIFNTSD-SWLSCSKDSA-N 487.916 2.212 30 10 JEEE COCc1nc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCCN(C(C)=O)CC2)cs1 1770872624 CXENWKSYTIVJHV-UHFFFAOYSA-N 481.582 2.439 30 10 JEEE CS(=O)(=O)NCCn1c(-c2ccc(Br)s2)nnc1N1CCC(C#N)CC1 1771368258 HRLRKCWSNLKIHJ-UHFFFAOYSA-N 459.395 2.058 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCO)[C@@H]2c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1F 1862648397 ZXFFRATWDPDWSH-HXUWFJFHSA-N 488.424 2.474 30 10 JEEE O=C(C1=C(O)C(=O)N(CCN2CCOCC2)[C@@H]1c1cccc([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1 1862754002 AYXUSKNTCKGUCW-HXUWFJFHSA-N 482.449 2.414 30 10 JEEE C=CCOc1ccccc1OCC(=O)Nc1nc(N2CCC[C@@H](C)C2)nn1[C@H]1CCS(=O)(=O)C1 1869996241 XDHHMYTUEYARHV-MSOLQXFVSA-N 489.598 2.456 30 10 JEEE C=CCn1cc(OCc2n[nH]c(=N)s2)c(=O)cc1CN1CCN(c2ccccc2OC)CC1 1870575863 COBICSFGZJFULJ-UHFFFAOYSA-N 468.583 2.208 30 10 JEEE COc1ccc(N2C[C@@H](c3nnc(SCC(N)=O)n3/N=C/c3cc(C)ccc3O)CC2=O)cc1 1874199591 RSQGJYBUBLBEOY-HDDDNDSPSA-N 480.550 2.281 30 10 JEEE CC(=O)NCc1nnc(SCC(=O)NC2CCCCC2)n1/N=C/c1ccccc1C(=O)O 1874433878 BTSCHVWOCLVVER-FOKLQQMPSA-N 458.544 2.036 30 10 JEEE CN1CCN(CC#CCOC2CCN(S(=O)(=O)c3ccc(Oc4ccccn4)cc3)CC2)CC1 1889918871 ZKLBWTLAKQOABZ-UHFFFAOYSA-N 484.622 2.294 30 10 JEEE CC(C)(C#CC(=O)N1C[C@H](NC(=O)OC(C)(C)C)CC[C@@H]1C(=O)O)NC(=O)OC(C)(C)C 2082720665 LPGHPDVXTVJLPY-HUUCEWRRSA-N 453.536 2.262 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2255832128 HZMCJOPEKOCNMM-UKRRQHHQSA-N 452.382 2.005 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)N(C)Cc1ccc(B2OC(C)(C)C(C)(C)O2)s1 2256625444 WVZARKOCHVBSBG-XJKSGUPXSA-N 454.398 2.280 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCC[C@@H](NC(=O)OCc3ccccc3)C2)n1 2264010930 OFGFYSZYFDBQKJ-GOSISDBHSA-N 468.363 2.250 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)Nc1nnc(CNC(=O)OC(C)(C)C)o1 2267131803 HJFUXMNXGGUNSN-UHFFFAOYSA-N 465.341 2.411 30 10 JEEE CC(C)(C)OC(=O)NCCc1nc(=NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)s[nH]1 2267160358 WQPDKAYOGMTUAS-UHFFFAOYSA-N 481.409 2.035 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H](C)CNC(=O)OC(C)(C)C 2267465890 RWQJELJLHJDYLO-AWEZNQCLSA-N 470.397 2.186 30 10 JEEE CN(C[C@H](O)COCc1ccccc1)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2267470514 LVDYVIHAVMVPHC-IBGZPJMESA-N 481.445 2.387 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1CCCN1S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2267707677 VPKNHNXPALQOEK-AWEZNQCLSA-N 487.453 2.261 30 10 JEEE CO[C@H]1C[C@@H](C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)N(C(=O)OC(C)(C)C)C1 2268642964 ILJNLFQDJOGXNI-KBPBESRZSA-N 467.397 2.083 30 10 JEEE C[C@H]1COC[C@@H](C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)N1C(=O)OC(C)(C)C 2268648367 YHPIMFVAUFZDEJ-ZFWWWQNUSA-N 467.397 2.083 30 10 JEEE Cc1cc(CNC(=O)[C@@H](CN(C)C)NC(=O)OC(C)(C)C)sc1B1OC(C)(C)C(C)(C)O1 2268725250 TUVWKBHXPSCIHU-MRXNPFEDSA-N 467.441 2.427 30 10 JEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@]1(O)CCCN(C(=O)OC(C)(C)C)C1 2281808168 UTRJCIMGDVQEDP-HSZRJFAPSA-N 464.368 2.379 30 10 JEEE COCCOCCN(Cc1ccccc1)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)c(C)nn1C 2281982193 LJXXUKDRZNFACN-UHFFFAOYSA-N 457.380 2.333 30 10 JEEE CC(C)(C)OC(=O)N1[C@H](CNC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C[C@H]2OCC[C@H]21 2282010199 WOXFUPUQXFNAIN-NUEKZKHPSA-N 479.408 2.339 30 10 JEEE CCc1nc(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 2282013541 JYMVRIZVAQWFFO-KBPBESRZSA-N 481.424 2.105 30 10 JEEE CC(C)(C)OC(=O)N1CCC12CC(CNC(=O)c1ncc(B3OC(C)(C)C(C)(C)O3)cn1)C2 2282014465 QDUFCFWEAPKTQG-UHFFFAOYSA-N 458.368 2.295 30 10 JEEE C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1N(C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2282061834 PTUXEHAAITZEEB-RDJZCZTQSA-N 462.400 2.437 30 10 JEEE C[C@H]1CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CC[C@@H]1NC(=O)C(F)(F)F 2282343878 IDKIQJVFHQHDNL-BBRMVZONSA-N 476.326 2.063 30 10 JEEE C[C@H]1C[C@H](NC(=O)C(F)(F)F)CN(S(=O)(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282350331 LJQICPPCEIVDAT-ZFWWWQNUSA-N 476.326 2.063 30 10 JEEE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1N(C)C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282552358 POKFVBUQQDLWIW-NVXWUHKLSA-N 462.400 2.437 30 10 JEEE Cn1cc(C(=O)N2C[C@@H](CNC(=O)OC(C)(C)C)CC2(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2282583520 KUKGGDVLLHYBMO-OAHLLOKOSA-N 462.400 2.485 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](O)CN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2Cl)C1 2282607251 VTOQRMGRDVGEIO-LSDHHAIUSA-N 481.786 2.134 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](NC(=O)c3ncc(B4OC(C)(C)C(C)(C)O4)cn3)C[C@H]2C1 2282624035 JKAFVKZUQRBCCU-SCAQPMJSSA-N 458.368 2.151 30 10 JEEE C[C@H]1CN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C[C@@H](C)[C@@H]1NC(=O)OC(C)(C)C 2282625752 ZHMYSPYFCYWJLX-QLPKVWCKSA-N 460.384 2.397 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)[C@H](CO)C1 2282686371 RMFJGADBTJSPMF-HKUYNNGSSA-N 460.380 2.334 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)[C@@H](CO)C1 2282686373 RMFJGADBTJSPMF-MJGOQNOKSA-N 460.380 2.334 30 10 JEEE COc1ccc(NC(=O)[C@H]2C[C@H](O)CN2C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2283951258 VCHMRORLDQXEJM-KBXCAEBGSA-N 462.352 2.303 30 10 JEEE CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1sccc1B1OC(C)(C)C(C)(C)O1 2283955424 DYAKAENMBIJWGL-MRXNPFEDSA-N 482.408 2.462 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCOCC[C@@H]1C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2284022372 IVRSGOKUOLDYCZ-LSDHHAIUSA-N 481.424 2.378 30 10 JEEE COC[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)N(C(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)C1 2289597589 TWERPMIGZQBQIC-CABCVRRESA-N 481.424 2.444 30 10 JEEE Cc1nc2c(C)cccn2c1C(O)=C1C(=O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccncc1 2296936412 QQNDJIVIIRCNFT-NRFANRHFSA-N 461.522 2.100 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H](O)C(=O)NCc1sc(Cl)cc1B1OC(C)(C)C(C)(C)O1 2303778158 IIXDFHBAKKQACU-GFCCVEGCSA-N 460.789 2.203 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(C)[C@H](C)CN(C)C(=O)OC(C)(C)C)n1C 2337321495 LELBVSMAXDHPPF-CQSZACIVSA-N 450.389 2.355 30 10 JEEE Cc1nc2ccccn2c1/C(O)=C1/C(=O)C(=O)N(CCCN2CCOCC2)[C@H]1c1cccnc1 103092362 QHJJTRYDEJDSKP-MBDQKHHZSA-N 461.522 2.182 30 10 JEEE N#Cc1ccc(N2C(=O)C[C@H](N3CCN(C(=O)COc4ccc(Cl)cc4)CC3)C2=O)cc1 609121720 PFSSDBOCAZPMLD-FQEVSTJZSA-N 452.898 2.067 30 10 JEEE C#CCN(C(=O)c1ccc(OC)c(S(=O)(=O)Nc2ccc(CC)cc2)c1)[C@H]1CCS(=O)(=O)C1 729331458 PFWRTVRYLPPINX-FQEVSTJZSA-N 490.603 2.321 30 10 JEEE C#Cc1cccc(N(CC(=O)NC)C(=O)CCN2C(=O)COc3cc(Br)ccc32)c1 749504859 UGJODDRGBGMVLQ-UHFFFAOYSA-N 470.323 2.325 30 10 JEEE CC(=NNc1nnc(SCC(=O)Nc2ccc3c(c2)OCCO3)n1N)c1ccc2c(c1)OCO2 1084459243 ISLNVAKMBDSEBQ-UHFFFAOYSA-N 483.510 2.059 30 10 JEEE C[C@H](CC(=O)N1CCCN(Cc2ccc(F)cc2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1136037226 ASZPKRGFVSJYDY-QGZVFWFLSA-N 458.559 2.377 30 10 JEEE C#CC[C@]1(C(=O)N2CCC(S(=O)(=O)N3CCCC3)CC2)CCCN1C(=O)OC(C)(C)C 1139102016 HMTHJJOAJPAROX-JOCHJYFZSA-N 453.605 2.196 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1ccc(F)c(C)c1)[C@@H]1CCS(=O)(=O)C1 1286392438 MDCSZFGWSCGHHK-HXUWFJFHSA-N 453.543 2.386 30 10 JEEE C#CCN(c1nnc(COCC)n1CCc1cc(C(F)(F)F)ccn1)[C@H]1CCS(=O)(=O)C1 1286397182 RTYYZMJCRUWVJV-KRWDZBQOSA-N 471.505 2.098 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ncnn1C(C)(C)C 1286453456 AFYPNPXHGWKHDW-MRXNPFEDSA-N 488.593 2.062 30 10 JEEE C#CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1Cc1cccc(C(=O)NC)c1 1286466538 IZBNBCBSQQFDAI-UHFFFAOYSA-N 457.538 2.011 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCc2cc(C)ccc2OC)CC1 1286469463 GODGPGFGUMQSQZ-UHFFFAOYSA-N 459.554 2.240 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(OCC)cc3)n2CC(C)(C)C(=O)NC)CC1 1286471718 NDEAFFWGWCRXTC-LJQANCHMSA-N 468.602 2.344 30 10 JEEE C=C(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(CCOC)[C@H](CC)C1 1286592006 BAOYZVRNZMOZAE-GOSISDBHSA-N 451.575 2.315 30 10 JEEE C=CC1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC(=O)NCCC)CC1 1286655381 PXWSJMRWQDKEMK-UHFFFAOYSA-N 460.604 2.124 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc(Cc2ccncc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1286763133 UDPMDUKTMFBVMV-DEOSSOPVSA-N 467.595 2.049 30 10 JEEE C=CCOc1ccccc1Cn1c(CNC(=O)c2cccs2)nnc1N1CCS(=O)CC1 1286799098 PWYORNJJXYUSNS-UHFFFAOYSA-N 471.608 2.451 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1286815796 ASLCPWPDVAZGKF-AWEZNQCLSA-N 465.542 2.287 30 10 JEEE CN(c1nnc(COc2ccc(C#N)cc2)n1CCCN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1298187276 HWPVPNHWOYRQLH-FQEVSTJZSA-N 472.615 2.228 30 10 JEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cc(C)cs1 1300365229 RPPZADZMNSGECF-SFHVURJKSA-N 451.618 2.421 30 10 JEEE C#CCN(C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H](N1CCOCC1)C(F)(F)F 1300449307 PRHOVJHOAQDLFF-GOSISDBHSA-N 453.465 2.295 30 10 JEEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(Cl)s1)[C@H]1CCS(=O)(=O)C1 1300482707 GZYXPHMKRGWDEJ-MGPUTAFESA-N 485.031 2.320 30 10 JEEE C#CCN(c1nnc(C2CC2)n1C[C@](O)(c1ccccc1)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1300491124 DTEFIXOHSLZEPU-PXNSSMCTSA-N 468.501 2.232 30 10 JEEE C#CCN(c1nnc(COc2ccccc2OCC)n1C[C@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1300504948 WLVKEVVAIWGSEA-VQTJNVASSA-N 488.610 2.452 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1noc2c1CCCC2 1300657840 SJXFQZBWLNWSDD-UHFFFAOYSA-N 498.609 2.197 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1Cc1ccc(N2CCOCC2)c(F)c1 1300665431 JIIRGYJQDPHWKD-FQEVSTJZSA-N 457.550 2.282 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)cn2C)n1CCS(=O)(=O)NC(C)C 1300788680 IJJNEJNLWSUUFZ-LJQANCHMSA-N 483.436 2.366 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1ccco1)N1CCCC1 1300916211 UTUZWRDPJMNBLM-TZIWHRDSSA-N 492.646 2.444 30 10 JEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1Cc2ccccc2O[C@H](C)C1 1301223009 LEDKKBFPAJIBJC-XLIONFOSSA-N 461.588 2.365 30 10 JEEE COC[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCC(O)CC2)C1 1301339990 DMQUGQOYPZXHQQ-FQEVSTJZSA-N 454.575 2.048 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CCCC1 1301362512 FHNMIGRZFMVMES-GOSISDBHSA-N 481.644 2.170 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[C@H](OC)C1 1301492767 NHWFWSGSWVEBIB-AWEZNQCLSA-N 450.337 2.244 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1301578729 GSVSVMHMVJOTQA-UHFFFAOYSA-N 474.631 2.113 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)C[C@H]1CCCCO1 1301586618 UWQLQXBQNQASCA-MRXNPFEDSA-N 472.571 2.200 30 10 JEEE C=CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1301601119 BAPGKJBAVNFLTF-UHFFFAOYSA-N 478.022 2.086 30 10 JEEE C=CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](C(N)=O)C1 1301611217 JOQVVZAQFGMEFE-IAGOWNOFSA-N 480.635 2.207 30 10 JEEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCC[C@H]2C(=O)N(C)C)CCCO1 1305153429 CLEFHKIFGOIHFE-KNQAVFIVSA-N 465.602 2.375 30 10 JEEE Cc1cc(NC(=O)COc2ccc(Br)c(C#N)c2)n([C@H]2CCS(=O)(=O)C2)n1 1307405671 FCLBIOHDVPYZSV-ZDUSSCGKSA-N 453.318 2.203 30 10 JEEE CCOCc1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1CC1(C(N)=O)CCOCC1 1314348265 FCHZYCRIZSLZDA-UHFFFAOYSA-N 468.558 2.016 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1CC(F)(F)C1(OC)CCOCC1 1358980868 NIBYWMKJNLHAEX-UHFFFAOYSA-N 468.508 2.420 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@H](c1cccs1)N1CCCC1 1359018434 PCBQGTZXHOLVEQ-LJQANCHMSA-N 456.616 2.499 30 10 JEEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2Cc2c(CC)nn(C)c2OC)CC1 1359037974 FXFWGWSPCHUOCT-UHFFFAOYSA-N 463.586 2.008 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(OC)cc3)n2CCC2(O)CCC2)CC1 1359047342 CILOZKPSSNFECZ-UHFFFAOYSA-N 467.570 2.137 30 10 JEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2c(Cl)cccc2C1 1359049793 WLUFBHHYESCIFP-AWEZNQCLSA-N 454.021 2.471 30 10 JEEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)CCC2CCCC2)CC1 1359117255 PJFRZSCMMJLCTC-KRWDZBQOSA-N 452.625 2.083 30 10 JEEE C=CCC(C)(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@H](C(=O)NC)C1 1359188026 DRVFDVJBSFHKJV-IBGZPJMESA-N 468.606 2.006 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1[C@@H]1C[C@H]1CF 1359263748 KOGQWGBFPFOLHW-USXIJHARSA-N 455.581 2.396 30 10 JEEE C=CCN(CC=C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCCS(=O)(=O)C1 1359270489 QYOGFGUUQIPQOT-QGZVFWFLSA-N 468.583 2.195 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1359305536 GCTPYBIEIGQVJA-IPMKNSEASA-N 490.605 2.037 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2Cc2cnnn2C)C1 1359319576 BMKFQLHIPTUFIL-MJGOQNOKSA-N 472.594 2.351 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1359329391 HUORPLFQHXLSLE-IEBWSBKVSA-N 495.049 2.141 30 10 JEEE CSc1cccc(F)c1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)C#N 1505206892 HDMTYFKAXJPRGN-YOEHRIQHSA-N 482.607 2.116 30 10 JEEE N#C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCc2cc(Br)ccc2F)CCO1 1505321080 GBJPMHMCXTVPLU-MRXNPFEDSA-N 477.338 2.387 30 10 JEEE C#CCN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCC1CC1)[C@@H]1CCS(=O)(=O)C1 1507623901 YWGFNXRDYFPAEJ-LJQANCHMSA-N 476.002 2.288 30 10 JEEE C#CCN(c1nnc(C2CC2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1507631921 UYYTZRZSUAWXSX-WBVHZDCISA-N 451.593 2.038 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCc1ccc(C)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1507632078 JBOMPNDFTVCVIW-RTWAWAEBSA-N 472.611 2.359 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1cccc(CN(C)C)c1)[C@H]1CCS(=O)(=O)C1 1507634228 XRARCXBVXYVVLD-FCHUYYIVSA-N 471.627 2.256 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccccn2)n1C[C@@H](c1ccc(C)o1)N1CCOCC1 1507708571 JYPAOSLSORINTC-NRFANRHFSA-N 450.543 2.401 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H](C)N2CCN(CC)CC2)CC1 1507720885 JQABOMFJISUDAQ-HXUWFJFHSA-N 456.038 2.380 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(=O)COC)CC1 1507807810 WOPYMMMHGAIOIO-GAJHUEQPSA-N 475.540 2.423 30 10 JEEE C=CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCc2nn(C)c(=O)cc2C1 1507953609 HONHBLYSKTWTEB-IBGZPJMESA-N 485.589 2.209 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1508077911 ROTNNFABGNPWMH-GOSISDBHSA-N 471.569 2.186 30 10 JEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)Cc2csc(S[C@H](C)C(N)=O)n2)cc1 1515902662 QFTWFURXEUVPFD-GFCCVEGCSA-N 454.599 2.097 30 10 JEEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 1521876624 YHINEUYXRLTTHN-HNNXBMFYSA-N 450.479 2.489 30 10 JEEE C=CCN(C(=O)c1ccc(=O)n(CCOc2ccccc2Cl)c1)[C@H]1CCS(=O)(=O)C1 1537469421 RWGNIUPGFCFMJI-KRWDZBQOSA-N 450.944 2.396 30 10 JEEE C#CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1539108867 GQAJWSQGYYSPAR-FQEVSTJZSA-N 453.543 2.203 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1CC(C)(C)CN(C)C)[C@@H]1CCS(=O)(=O)C1 1539221084 YHZTWDFJJBQBBR-OAQYLSRUSA-N 457.644 2.392 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCO[C@@H]1C(=C)C)[C@H]1CCS(=O)(=O)C1 1539226214 VFSBTGNZVCCWBB-HFSMHLIXSA-N 475.640 2.242 30 10 JEEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1C[C@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1539273621 ZPASGOAGLPDKAM-FKBYEOEOSA-N 493.612 2.237 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CCCC(=O)N(C)C)CC1 1539436523 VRWTXZRRWZYCAN-UHFFFAOYSA-N 468.602 2.365 30 10 JEEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1539514202 WSPQGENOQVEAPN-UHFFFAOYSA-N 452.588 2.020 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)CC 1539631503 LLZUWFLVBOBAGO-YRXWBPOGSA-N 455.625 2.075 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)CN1CCOCC1 1540129826 ZWXMFNWFUCLUNH-REWPJTCUSA-N 498.653 2.213 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1540865191 XOPQAXFMZFTWHL-INIZCTEOSA-N 474.512 2.344 30 10 JEEE C[C@@H]1CCCN([C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(S(C)(=O)=O)CC2)C1 1544057368 AJXYGQZFIJYMCI-RTBURBONSA-N 471.631 2.019 30 10 JEEE CS(=O)(=O)N1CCC2(CC1)C[C@H](C(=O)NC1CC1)N(c1ccc(C#N)c(C(F)(F)F)c1)C2 1548382016 SMJJXDVOYXQIQG-GOSISDBHSA-N 470.517 2.476 30 10 JEEE C=CCOc1c(Br)cc(CNC[C@@]23COCCN2C(=O)COC3)cc1OCC 1560561480 PUXKAXOXNRFRLU-FQEVSTJZSA-N 455.349 2.130 30 10 JEEE C#CCN(c1nnc([C@@H](C)CC)n1CCc1cccc(C(=O)N(C)C)c1)[C@@H]1CCS(=O)(=O)C1 1588030687 ZSHCZNDTEHYGDH-GHTZIAJQSA-N 471.627 2.363 30 10 JEEE C#CCN(c1nnc(-c2ccc3ccccc3n2)n1C[C@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1588045914 TWDWRGHGNLFREB-FDDCHVKYSA-N 453.568 2.281 30 10 JEEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(N2CCOCC2)c(F)c1 1588089897 QNKIBRPFBCEIPM-VWLOTQADSA-N 467.545 2.027 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC1(O)CCS(=O)(=O)CC1 1588105368 WBKXWQKWWMTCNL-UHFFFAOYSA-N 454.596 2.255 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1588113956 WVYPPPHUORONPP-OAQYLSRUSA-N 489.498 2.442 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2Cc2cc(C)on2)CC1 1588884721 LGUCMUOYYVPKGG-UHFFFAOYSA-N 495.971 2.172 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@H]2CCC(=O)N2)CC1 1588968342 IVWGTFVFJKYDHO-LJQANCHMSA-N 466.611 2.123 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1(O)CCS(=O)(=O)CC1 1589625639 KRSUXCHEEZBFMB-UHFFFAOYSA-N 462.572 2.058 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ccc(C)c(OC)c2)CC1 1594096534 CUGXBDYLDXMZGO-NRFANRHFSA-N 475.615 2.327 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)C1CCC(NC(C)=O)CC1 1595529821 JCRCTFMOIPNFFT-UHFFFAOYSA-N 476.585 2.317 30 10 JEEE CC(C)(C)[S@](=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cnccn2)CC1 1597706413 GZVDGTJXLSBTTR-MGBGTMOVSA-N 464.599 2.481 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C)Cc2ccccc2C1 1611307708 FUMMWKMWBMKYNE-FXAWDEMLSA-N 472.615 2.154 30 10 JEEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C)Cc2ccccc2C1 1611307710 FUMMWKMWBMKYNE-XLIONFOSSA-N 472.615 2.154 30 10 JEEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C[C@H](C(F)(F)F)O1 1612909139 HQBKLYWIDPQZEZ-QGPMSJSTSA-N 498.531 2.254 30 10 JEEE CC[C@H](C)CN(CC)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1613397684 ATXGKHBSORPALQ-JTSKRJEESA-N 461.588 2.151 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCc1ccncc1 1613585433 FVMIWSOWNSIEQM-UHFFFAOYSA-N 473.585 2.427 30 10 JEEE CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](CC(C)C)N(C)C)CC1 1615938199 BITSFSBFKLNIIJ-QFIPXVFZSA-N 466.634 2.051 30 10 JEEE Cn1cc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cn1 1618399403 BKJRAENLFSBOOL-SJLPKXTDSA-N 456.551 2.054 30 10 JEEE C=C(C)[C@@H](NC(=O)CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1 1625554202 ZQHYBKFZOLNKBM-LJQANCHMSA-N 458.508 2.080 30 10 JEEE C=CC1(CC(=O)NC[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)CN(C(=O)OC(C)(C)C)C1 1630146364 DCMVAQRONZHWRO-QGZVFWFLSA-N 459.543 2.240 30 10 JEEE CC(=O)c1ccc(S(=O)(=O)NCCC(=O)N2CC[C@H](N(C)c3cccc(C#N)c3)C2)cc1 1631330637 IECVHERIRHGWQJ-NRFANRHFSA-N 454.552 2.167 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2F)ccc1F 1654004653 PMBJRKZLJFGFPJ-HOTGVXAUSA-N 459.515 2.367 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2F)ccc1F 1654004655 PMBJRKZLJFGFPJ-JKSUJKDBSA-N 459.515 2.367 30 10 JEEE C=CCC1(CNC(=O)Nc2ccc(S(=O)(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)CCCC1 1667039728 JYRKVJBRBLDRJD-QGZVFWFLSA-N 455.602 2.410 30 10 JEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2ccc(F)c(F)c2)C1 1689929710 CMBRQLUSTPIVLS-QFBILLFUSA-N 450.511 2.450 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1CC(=C)Br)[C@@H]1CCS(=O)(=O)C1 1689983398 AUIVMBCVJWQPKI-OAHLLOKOSA-N 479.356 2.209 30 10 JEEE C#CCN(CC#CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@](C)(O)C1CC1 1690052594 MCICLANWLZONPW-HHHXNRCGSA-N 460.626 2.267 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC2(S(C)(=O)=O)CCC2)CC1 1690117669 QZHUUSBXDZQLQO-UHFFFAOYSA-N 478.018 2.330 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(OCCCC)c(OC)c2)CC1 1690122200 KBNCUZVOLYDTSB-FQEVSTJZSA-N 466.586 2.220 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@]2(C)COCCO2)CC1 1690137121 NZOWULMRWBURCE-IQGLISFBSA-N 485.560 2.329 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@]2(O)CCC[C@H]2C)CC1 1690148634 NRIFPOOSNAIAKF-BCHFMIIMSA-N 465.598 2.394 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CCOc2ccccc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1690251010 OCBDSYDPPUEUIG-OFVILXPXSA-N 482.629 2.091 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1690665466 FIAIXNBNPMYRBN-UHFFFAOYSA-N 461.448 2.491 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCC2(CC1)OC(=O)NC21CCC1 1690724303 LRRRQWPUYKMTGL-UHFFFAOYSA-N 465.620 2.469 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1690727057 STTOPMNUTMNIOY-FQEVSTJZSA-N 455.588 2.211 30 10 JEEE C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(C)(C)CN1CCOCC1)N1CCOCC1 1692694769 GOESUSHSKVVCSH-OAQYLSRUSA-N 481.645 2.332 30 10 JEEE CC[C@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CC1(COC)CCOCC1 1694115178 BSWZHROYVIXXIC-SFHVURJKSA-N 470.622 2.475 30 10 JEEE CCc1ccc(-c2nnc(N3CCN(c4nccnc4C#N)C[C@@H]3C)n2CC(=O)N(C)CC)cc1 1694514229 AZBLWDKVHNIYQE-SFHVURJKSA-N 473.585 2.363 30 10 JEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCSc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1705558797 IKOVNPSVJJXJSS-LJQANCHMSA-N 487.651 2.242 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CC1(SC)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1705562029 XGNWBVHFWJEWGT-HXUWFJFHSA-N 485.635 2.356 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1csc([C@@H](C)OC)n1)[C@H]1CCS(=O)(=O)C1 1705562142 YQSRIHHKWCNYJS-ZBFHGGJFSA-N 451.618 2.415 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1CCCN1C[C@H](C)O[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1705570497 QPDGNTMZMITRJD-IRFCIJBXSA-N 491.683 2.056 30 10 JEEE C#CCN(c1nnc(CC)n1C[C@H](c1c(F)cccc1F)N(C)C)[C@H]1CCS(=O)(=O)C1 1705570587 OWFHCVUYTVAAFY-MAUKXSAKSA-N 451.543 2.048 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCCN1CCCO 1705591914 LHLKXPDGMAMEPD-SFHVURJKSA-N 459.392 2.345 30 10 JEEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1705687207 ADEJTYVTXYALOY-AWEZNQCLSA-N 490.424 2.146 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1705700864 ZJOFWDPJTLAWCT-QRVBRYPASA-N 495.646 2.219 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(Cc2ccc(F)cc2)CC1 1705843243 ANPNYGDCDDLQQQ-IBGZPJMESA-N 463.579 2.395 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCCN(C(C)(C)C)CC1 1705900980 WLVQCIUTGIVWJR-UHFFFAOYSA-N 492.628 2.288 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCC(C(F)(F)F)CC2)nnc1[C@@]1(OCC)CCOC1 1705939157 SPEXAMAJKKYWHI-GOSISDBHSA-N 466.526 2.310 30 10 JEEE Cc1cc([C@](C)(O)Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(CC(=O)N(C)C)CC2)c(C)o1 1707043398 AAUKJLVZJPKUBZ-AREMUKBSSA-N 491.596 2.145 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nc2cc(Cl)ccc2s1 1722295190 JNVDNZOYUNCTCP-BBRMVZONSA-N 495.030 2.380 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1CCN1CCCS1(=O)=O 1722303590 PIEBLMIUSBSJAH-OAHLLOKOSA-N 482.404 2.113 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@H](C)Oc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1722362026 RFTDDDSJSRNJBB-AZUAARDMSA-N 468.583 2.081 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCCNC(C)=O)CC1 1722445012 RRAHNTZNRBYFTM-KRWDZBQOSA-N 470.549 2.049 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1OCCC1(C)C 1722446591 FCFJFKHHHPDYOV-LJQANCHMSA-N 450.543 2.093 30 10 JEEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1722493140 GFSMVOAYWCVYJJ-MRXNPFEDSA-N 454.369 2.113 30 10 JEEE C=CCN(CCOC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCC(=O)NC 1722681876 UVRNJEPDJACNSJ-UHFFFAOYSA-N 450.584 2.168 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(C(=O)N(C)CCCC)CC1 1722694589 AOPMKVSBFYHFSE-UHFFFAOYSA-N 482.585 2.451 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](c2nc(C(C)C)cs2)C1 1722698418 GAVIRZYLEHPMGV-IAGOWNOFSA-N 492.671 2.446 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1722727054 FRTBDDWDYYJEET-QGZVFWFLSA-N 485.651 2.197 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)ccc2C)nnc1N1CCO[C@]2(CCOC2)C1 1722731449 LDHULOZEICISKD-HSZRJFAPSA-N 476.599 2.070 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1740616344 ZEQNHYQGVDKLBW-FPOVZHCZSA-N 485.610 2.201 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1CCC(OC)CC1 1740684289 MICKCHZMQRDNDI-UHFFFAOYSA-N 464.570 2.483 30 10 JEEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)c2ccc(F)cc2)CC1 1740782493 RLAGAZKORPRPJS-QGZVFWFLSA-N 461.563 2.294 30 10 JEEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@@H](SCC)C1 1740792028 DFJJJWJLGINTOX-RTBURBONSA-N 487.692 2.316 30 10 JEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2cccs2)CC1 1740863549 AOPUGXHMUAHNJW-SFHVURJKSA-N 480.660 2.355 30 10 JEEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCCN1CCN(CC)CC1 1740897725 RXKJVWFPQJYRBX-UHFFFAOYSA-N 464.618 2.232 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1740951704 LRJHHRQBZUZDOK-ZYSHUDEJSA-N 456.522 2.107 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C)O[C@H](c2ccsc2)C1 1740985165 CUMHTICTWZADSB-WBVHZDCISA-N 467.617 2.045 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1740990084 IANSRIORUYXKFV-INIZCTEOSA-N 472.537 2.322 30 10 JEEE C[C@@](O)(Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C(N)=O)CC1)c1cccs1 1741954386 GYZFSVGDSZPDML-HSZRJFAPSA-N 466.567 2.400 30 10 JEEE CNC(=O)[C@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(N(C)C)CCSC2)C1 1748129384 AOCSJLMDSKLNJZ-DHIUTWEWSA-N 453.616 2.216 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CC=CCC2)c1 1748691926 OUXZTCRJWQSLQK-IEBWSBKVSA-N 470.599 2.301 30 10 JEEE C#CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1748697816 OHCAOIBFRKFISY-FQEVSTJZSA-N 477.569 2.423 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1CCCn1cc(Br)cn1)[C@@H]1CCS(=O)(=O)C1 1748806006 YYCITSLHIKPXHN-NVXWUHKLSA-N 483.436 2.468 30 10 JEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1CC1(O)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1748820723 HZWPFXRBGGCWIF-OAQYLSRUSA-N 486.638 2.394 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccccc2F)n1Cc1ccc(N2CCOCC2)nc1 1748859115 DJYBCAUPJJVTLB-UHFFFAOYSA-N 460.513 2.349 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1CCC(=O)NC(C)(C)C 1748950514 MNFZLWSGSOXBMD-UHFFFAOYSA-N 451.369 2.427 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1csc(C(C)(C)C)n1 1748962974 VPCJYDJNVANFGF-INIZCTEOSA-N 465.645 2.263 30 10 JEEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1749024208 JILDWSXLVRWGMG-IBGZPJMESA-N 499.666 2.289 30 10 JEEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1749109280 GOVMDTGZNJWJRJ-UHFFFAOYSA-N 480.411 2.037 30 10 JEEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1749211453 YOQSJZQVHHRDEX-UHFFFAOYSA-N 477.573 2.252 30 10 JEEE 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 1749574483 WIGGHKGMOYYPLQ-XWSJACJDSA-N 472.590 2.432 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@@](C)(C(=O)NC)C1 1749657662 DOOULEGAQLHQFJ-HXUWFJFHSA-N 479.354 2.111 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCOC3)n2CC2(NC(=O)OC(C)(C)C)COC2)C1 1749710335 WERHJSLUZZZRTF-ROUUACIJSA-N 463.579 2.247 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc3cccnc23)nnc1N1CCC[C@H](C(=O)OC)C1 1749727662 ZRZWVQAKZNSBPE-SFHVURJKSA-N 469.567 2.484 30 10 JEEE CS(=O)(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCCC2)C1 1750196329 BNUIIFNQGPXQKE-OAQYLSRUSA-N 472.615 2.228 30 10 JEEE N#Cc1ccc(-c2nnc(N3CCN(CC(F)(F)F)CC3)n2C[C@]2(O)CCSC2)cc1 1750382076 AXTUUCBVBWQELO-LJQANCHMSA-N 452.506 2.369 30 10 JEEE C#CCCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)N(C)C2CCCCC2)CC1 1760151665 KEOSQEYPPCSQGZ-UHFFFAOYSA-N 452.607 2.005 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCc1ccc(Cl)cc1 1760154971 MRKVUUMAHCEWCJ-IBGZPJMESA-N 466.007 2.357 30 10 JEEE C#CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1760161803 LJIFFDPXRRFACK-SFHVURJKSA-N 465.620 2.429 30 10 JEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CC[C@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1760180366 CSWRTMFNQSFFSP-MOPGFXCFSA-N 464.975 2.031 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1CC(C)(C)c1ccccn1)[C@@H]1CCS(=O)(=O)C1 1760186961 BMEPKJCOETVUGX-LJQANCHMSA-N 450.568 2.340 30 10 JEEE C=C(C)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1760344464 SHXJGHKPAJCYEI-GOSISDBHSA-N 454.575 2.329 30 10 JEEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C 1760456388 OBCXKODMBZPNOI-JYJNAYRXSA-N 456.613 2.156 30 10 JEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(c2ccnc(C)n2)CC1 1760510057 DSWOQUKVCQJSGU-SFHVURJKSA-N 470.578 2.198 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CCC(C(=O)OC)CC1 1760519695 MELHNYOFHQBFJZ-UHFFFAOYSA-N 462.348 2.399 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](OC)C1 1760555995 RYXAGBDBEISIDV-ZWKOTPCHSA-N 483.635 2.219 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCO[C@@](C)(c3ccccc3)C2)nnc1[C@]1(OCC)CCOC1 1760558193 IQZWGWLWIKQODV-RPWUZVMVSA-N 490.626 2.283 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc(Cl)cc2F)n1CCNS(=O)(=O)Cc1ccon1 1760689938 HRKIQPAFSGROPL-ZDUSSCGKSA-N 481.941 2.441 30 10 JEEE CN(C)C(=O)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(O)(C(F)(F)F)CC1 1768439582 FVECDMSTRVFVPY-UHFFFAOYSA-N 480.491 2.491 30 10 JEEE COCCN(CCC#N)c1nnc(-c2cccc(C#N)c2)n1CCN1CCN(C)C(C)(C)C1 1769841282 AQRKXNHCAMMZBY-UHFFFAOYSA-N 450.591 2.209 30 10 JEEE CSCC[C@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)ON1C(=O)c2ccccc2C1=O 1772791686 XAWDCNUWNSREHO-SZEUEKNRSA-N 460.533 2.453 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)c3cccc(B4OC(C)(C)C(C)(C)O4)c3)C[C@H](C1)O2 1857781899 ZJABHSOOGNULEK-KDURUIRLSA-N 458.364 2.446 30 10 JEEE CCN(CC)C(=O)COc1ccc(/C=C/C(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])cn3)CC2)cc1 1860634838 FTROPQMJJBWDDX-YRNVUSSQSA-N 495.536 2.168 30 10 JEEE C=CCOc1ccccc1[C@H]1C(C(=O)N2CCN(C(C)=O)CC2)=C(N)Oc2c1c(C)nn2CC 1865224129 KHLMKNKUDBPGFN-OAQYLSRUSA-N 465.554 2.162 30 10 JEEE O=C(NCCCCCO)[C@@H](Cc1c[nH]c2ccccc12)N=C1NS(=O)(=O)c2ccccc21 1869932104 UHDAPJXRIPDSAE-HXUWFJFHSA-N 454.552 2.097 30 10 JEEE C=CCN(CC=C)C(=O)c1cn(-c2ccc(C(=O)NCCN(CC)CC)cc2)c(=O)cc1O 1870138020 RXMWCEQTAXJJEP-UHFFFAOYSA-N 452.555 2.429 30 10 JEEE C=CCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2ccc3c(c2)OCO3)[nH]1 1871535596 IDRFVXGGUJMZSR-UHFFFAOYSA-N 461.526 2.121 30 10 JEEE COC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)(C)C)C2)n1/N=C/c1ccc([N+](=O)[O-])cc1 1874278680 YWGOAPQMZBNBCL-MNUWJXFPSA-N 460.516 2.448 30 10 JEEE O=C(NCC#CCN1CCc2ccccc2C1)[C@@H]1SCC(=O)N(C2CC2)[C@H]1c1cccnc1 1889492782 UXAKPAAHOOVHHL-LOSJGSFVSA-N 460.603 2.407 30 10 JEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CC(=O)N2CCC(B3OC(C)(C)C(C)(C)O3)CC2)C1 1963796800 NVEKCRYCJWLSRJ-QGZVFWFLSA-N 486.440 2.495 30 10 JEEE CC(C)(C)OC(=O)N[C@]1(C(=O)N[C@H](C(=O)O)C(C)(C)S)CCN(Cc2ccccc2)C1 2019058040 KXZAWRZTAOHDSZ-OPAMFIHVSA-N 451.589 2.434 30 10 JEEE CC(C)(C)OC(=O)N1CCSC[C@H]1CC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2124524001 MZBVNSBJMVXPFM-OAHLLOKOSA-N 464.397 2.457 30 10 JEEE CC(C)(C)OC(=O)NCC1CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2247880752 KUIQNGPDKZPZNF-UHFFFAOYSA-N 458.411 2.193 30 10 JEEE Cc1nc(C(=O)N[C@@H]2CCON(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2255644712 CANYAELUMGBBSJ-CYBMUJFWSA-N 453.370 2.422 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]1NS(=O)(=O)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2255801162 ZHIZYCXYGRJYQN-IAGOWNOFSA-N 452.382 2.071 30 10 JEEE Cc1cc(S(=O)(=O)N2C[C@H]3C(NC(=O)OC(C)(C)C)[C@@H]3C2)sc1B1OC(C)(C)C(C)(C)O1 2267362210 OJGTTZMIZXOACV-ZIAGYGMSSA-N 484.449 2.499 30 10 JEEE CC1(C)OB(c2csnc2C(=O)N2C[C@@H]3OCCN(Cc4ccccc4)[C@H]3C2)OC1(C)C 2267488876 VKKPCMVOTHFUJF-OALUTQOASA-N 455.389 2.168 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)Nc1nc(B2OC(C)(C)C(C)(C)O2)ccc1Cl 2268629939 DNWRWCBGMDGCBK-OCCSQVGLSA-N 467.759 2.343 30 10 JEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](CO)C1 2281806132 HQYKBJMJXVEKTB-DOTOQJQBSA-N 464.368 2.235 30 10 JEEE CC(C)(C)OC(=O)N1[C@H](CNC(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)C[C@H]2COC[C@@H]21 2281808580 DCFQNWGNZKWKOC-DZKIICNBSA-N 479.408 2.197 30 10 JEEE CS[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 2282002156 KSELGEKRRVKXQH-LSDHHAIUSA-N 480.440 2.108 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)cs3)C[C@H]2[C@@H]1CO 2282059122 FBPNWZNALJQKRC-UAGQMJEPSA-N 478.420 2.347 30 10 JEEE Cc1cc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2CO)oc1B1OC(C)(C)C(C)(C)O1 2282059454 IVFBAIGZFZDAGB-HOTGVXAUSA-N 464.368 2.235 30 10 JEEE CO[C@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)[C@@H](CNC(=O)OC(C)(C)C)C1 2282192823 COCHBOJUFWLZKE-SJORKVTESA-N 463.384 2.458 30 10 JEEE CC(C)(C)OC(=O)N1[C@H](CNC(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)C[C@@H]2COC[C@@H]21 2282195512 NQLINHICXMMSIT-VYDXJSESSA-N 462.352 2.333 30 10 JEEE CN(CCOCCNC(=O)OC(C)(C)C)S(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2282346484 WJFBIVMYVPZOHA-UHFFFAOYSA-N 484.424 2.148 30 10 JEEE CC(C)(C)OC(=O)N1CC(O)(CCNC(=O)c2cc(F)ccc2B2OC(C)(C)C(C)(C)O2)C1 2282399729 RXZHWAMWLNJJBE-UHFFFAOYSA-N 464.343 2.227 30 10 JEEE CCc1nn(C)c(C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H]2C)c1B1OC(C)(C)C(C)(C)O1 2282561734 UJSTXQUAWNXKTH-GOEBONIOSA-N 462.400 2.409 30 10 JEEE Cn1ncc(C(=O)NC[C@H]2C[C@](F)(CNC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2282572620 NRFODVMVVBZDKP-XLOAEROZSA-N 466.363 2.092 30 10 JEEE CC(C)(C)OC(=O)N1CCC(NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)(C(F)F)CC1 2282575534 DOPULOFLLVPAAP-UHFFFAOYSA-N 470.326 2.474 30 10 JEEE Cc1c(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)nn1C 2282587220 JSZYHJGTHQUYOZ-HUUCEWRRSA-N 466.363 2.105 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C12CCC2 2282627896 KNTCYRSKPPCBLP-MRXNPFEDSA-N 458.368 2.438 30 10 JEEE Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H](O)C[C@@H]1CNC(=O)OC(C)(C)C 2282650755 QQTIGSFOSOPZPO-IAGOWNOFSA-N 460.380 2.394 30 10 JEEE CC(C)(C)OC(=O)NCCCN(CCO)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1O 2282804840 IGHQEDLLKNDXGL-UHFFFAOYSA-N 464.368 2.041 30 10 JEEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)Nc1cccc(NC(=O)OC(C)(C)C)c1 2282837693 WSDWRCBUMWBYEB-UHFFFAOYSA-N 479.368 2.262 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@@H]1CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1O 2282974597 JCMQRCMSWDXXJC-INIZCTEOSA-N 462.352 2.057 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2283965668 XUAPRPBYUJPXLR-INIZCTEOSA-N 457.340 2.178 30 10 JEEE CC(C)(C)OC(=O)N1CCCN(CC(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)CC1 2283982750 BNHGHLWJQIHKFI-UHFFFAOYSA-N 460.384 2.262 30 10 JEEE CC(C)(C)OC(=O)NC(C)(C)[C@@H](O)C(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)ccc1F 2284010404 DMAJXJHKZMESPW-KRWDZBQOSA-N 466.359 2.405 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H](C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1)[C@H]1CCOC1 2284036488 BONLUOLHQASFNF-GOEBONIOSA-N 481.424 2.236 30 10 JEEE CC(C)(C)OC(=O)N1CC2(CC[C@H](C(=O)Nc3cccc(B4OC(C)(C)C(C)(C)O4)n3)O2)C1 2284133160 NOGDLMFWUOFBGV-OAHLLOKOSA-N 459.352 2.488 30 10 JEEE COC(=O)[C@]1(Oc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)CCN(C(=O)OC(C)(C)C)C1 2284391123 GVVSHILICGAKPF-QFIPXVFZSA-N 466.315 2.451 30 10 JEEE CN(C[C@]1(O)CCCN(C(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)C1)C(=O)OC(C)(C)C 2286313173 PGLJQYCMIDACAB-HSZRJFAPSA-N 464.368 2.413 30 10 JEEE C[C@@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)CC2(CN(C(=O)OC(C)(C)C)C2)O1 2288586766 URAHNZZZLHEQMY-OAHLLOKOSA-N 461.368 2.164 30 10 JEEE COc1ccc(CCc2nnc(SCC(N)=O)n2N=Cc2ccc3c(c2)OCCO3)cc1 2328573923 LBPSPKJGODSGOG-UHFFFAOYSA-N 453.524 2.303 30 10 JEEE CCCNC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1N=Cc1ccc([N+](=O)[O-])cc1 2329010777 BOGUFHBCBFBGMW-MRXNPFEDSA-N 473.559 2.411 30 10 JEEE CC(=O)NCc1nnc(SCC(=O)Nc2cccc(C)c2)n1N=Cc1ccc(O)c(O)c1 2330734536 JAVVXTHRSGTUPB-UHFFFAOYSA-N 454.512 2.247 30 10 JEEE Cc1scc(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)c1B1OC(C)(C)C(C)(C)O1 2343503676 DDVVGVAOTFUHBL-ZBFHGGJFSA-N 466.409 2.313 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2359272712 OGTRXRATYNGKQY-QANKJYHBSA-N 482.383 2.411 30 10 JEEE Cc1ccc(-n2c(=C(C#N)C(=O)NC3CCCC3)sc(=Cc3cnn4ccccc34)c2=O)cc1 729668968 WORNJNBALXPYLE-UHFFFAOYSA-N 469.570 2.417 30 10 JEEE COc1ccc(C(=O)CSc2nnc(NN=Cc3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2N)cc1 1084095358 AEHMJCOMBAXMDG-UHFFFAOYSA-N 472.443 2.238 30 10 JEEE CC(=NNc1nc(SCCC(=O)Nc2ccc(S(N)(=O)=O)cc2)n[nH]1)c1ccccc1O 1084536216 UHXNUXADHJEWNO-UHFFFAOYSA-N 475.556 2.115 30 10 JEEE C=CCN(CC=C)[C@@H](CNC(=O)[C@@]12CN(C(=O)OC(C)(C)C)C[C@@H]1CS(=O)(=O)C2)C(C)C 1144204830 XQPKXVOWHNQYAP-SELNLUPBSA-N 469.648 2.083 30 10 JEEE C=C(C)CONC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N1CCN(CC)CC1 1214256140 NUGWPFDJRAYHNK-UHFFFAOYSA-N 453.609 2.488 30 10 JEEE C#CCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1286339742 OXEQEXZVERREQB-INIZCTEOSA-N 470.484 2.492 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1CC1CC(F)(F)C1)[C@H]1CCS(=O)(=O)C1 1286391018 FYWMQZSQBRMJEJ-INIZCTEOSA-N 455.556 2.306 30 10 JEEE C#CCN(c1nnc([C@@H]2COc3ccccc3O2)n1CCCN(CC)CC)[C@@H]1CCS(=O)(=O)C1 1286391082 CLFWCDLAWRHODK-KNQAVFIVSA-N 487.626 2.149 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccccc3Br)n2CCCN2CCOC2=O)CC1 1286475631 DDZIMWCCPCVHPA-UHFFFAOYSA-N 473.375 2.305 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2cc(C)on2)CC1 1286487969 IXEUCUYAGBFWOV-UHFFFAOYSA-N 472.347 2.346 30 10 JEEE C=C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC2(NC(=O)OC(C)(C)C)COC2)CC1 1286639042 VWTOEDFCFKGBMI-QHCPKHFHSA-N 463.579 2.380 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2N(C)CCCC2(C)C)CC1 1286662807 ACNHDDUBITZGNO-VQTJNVASSA-N 480.679 2.134 30 10 JEEE C=CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC(C(=O)NC)CC1 1286695422 WVEYBGKYKKJEKU-UHFFFAOYSA-N 459.620 2.475 30 10 JEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2cc(OCC)c(OCC)cc2C1 1286776181 IBHMQTAYBQZNEK-NRFANRHFSA-N 491.614 2.157 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@](C)(O)CC)C1 1286805905 VGXXGQPLWQHSFK-GCJKJVERSA-N 463.604 2.138 30 10 JEEE CC(C)(C)[S@@](=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1287085501 DPVMHKNLXXARGK-FFZYEISDSA-N 487.605 2.114 30 10 JEEE C[C@H](CC#N)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC1([S@@](C)=O)CC1 1288529262 GYWFLLNMCLXSHR-OGPYBGEISA-N 469.659 2.292 30 10 JEEE CCC(CC)(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)C#N)SC 1291931847 COEQVEMRBRLFHG-HOTGVXAUSA-N 458.654 2.129 30 10 JEEE C#CCN1CCCN(C(=O)c2ccc(OS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)cc2)CC1 1293713382 WGMPXWWNORFHPT-UHFFFAOYSA-N 457.508 2.452 30 10 JEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCS(=O)(=O)c1ccccc1 1300438765 VFZXRFMVJQCRIP-UHFFFAOYSA-N 486.623 2.090 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@@](C)(O)c1ccco1)[C@@H]1CCS(=O)(=O)C1 1300504169 KIKNDUIFLBJYBS-UZUQRXQVSA-N 488.541 2.124 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1Cc1nccn1C(F)F)[C@H]1CCS(=O)(=O)C1 1300504287 LFFUUXDFMWCSST-KRWDZBQOSA-N 490.536 2.432 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCOCC1CCOCC1 1300531618 DKCHDBZUVGUMSJ-UHFFFAOYSA-N 460.538 2.500 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC[S@@](=O)C(C)(C)C 1300538844 VNYOLQWQCKJIRF-PIJWYQRNSA-N 477.631 2.207 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1cccc(OC)c1)N1CCCC1 1300578594 NCVSLHNUZYNWTO-ISKFKSNPSA-N 495.649 2.489 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@](C)(O)C(C)C)CC1 1300731290 NCHGWCWJOQVKQO-RUZDIDTESA-N 464.570 2.102 30 10 JEEE C=C(C)Cn1c(Cc2ccccn2)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1300957199 PHOSNXLHPPVNTN-NHCUHLMSSA-N 451.619 2.467 30 10 JEEE C=C1CCN(c2nnc(COc3ccc(F)cc3)n2CCNS(=O)(=O)Cc2ccon2)CC1 1301095108 BSJXCHQNGQKJLV-UHFFFAOYSA-N 476.534 2.260 30 10 JEEE C=CCC(C)(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(CC(=O)NCC)CC1 1301149765 FSVNMFZCQVSHNS-UHFFFAOYSA-N 478.601 2.454 30 10 JEEE C=CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1cc(C)nn1C 1301422501 MUVBUGOZTOMAPV-UHFFFAOYSA-N 462.558 2.404 30 10 JEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 1301458937 LAKFTCBUJMZXGV-FCEUIQTBSA-N 488.658 2.286 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2CCN(C(=O)OC)CC2)C1 1301534772 DUYSZCIJJPFMJE-GOSISDBHSA-N 469.546 2.185 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@@H]1CSC 1301589364 RFDNHKJEVGMTAQ-LJQANCHMSA-N 491.687 2.385 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CCN(c2ccccn2)CC1 1301592861 FHBSLUGOSXFYEU-UHFFFAOYSA-N 482.610 2.488 30 10 JEEE CS(=O)(=O)[C@@H]1CCCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCCC2)C1 1316335712 DITYPGPFYJNKAP-HXUWFJFHSA-N 473.599 2.437 30 10 JEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)NC[C@H]1COC2(CCOCC2)O1 1357851361 BBBIUGATQSWISM-AWEZNQCLSA-N 455.305 2.137 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(C(=O)N2CCCCC2)cc1 1358872058 NWBVGGVJXYYIHI-ROUUACIJSA-N 472.615 2.021 30 10 JEEE C#C[C@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1358894864 YPUDADPFQJTHSR-HKUYNNGSSA-N 459.529 2.458 30 10 JEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)c2ccc(O)cc2)CC1 1358919686 HVEASUNLOPEOON-INIZCTEOSA-N 459.572 2.107 30 10 JEEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1358929676 FSHHQLJFDPVPLJ-FDDCHVKYSA-N 493.630 2.015 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H](C)Oc1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 1358960637 IRZGQBDHXFKURU-WMZOPIPTSA-N 486.985 2.483 30 10 JEEE C#CCN(c1nnc(CCCc2ccccc2)n1C[C@](C)(O)C(C)C)[C@H]1CCS(=O)(=O)C1 1358965803 BKFDHWPEJNKSSM-URXFXBBRSA-N 458.628 2.487 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1c[nH]c2cccc(C)c12 1358994667 SZZOEVSRUWSAIU-QFIPXVFZSA-N 494.621 2.106 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1359030126 OUEPPPYYQSKRQD-PMACEKPBSA-N 487.626 2.007 30 10 JEEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cc2ccccc2[nH]1 1359056991 PPRPRLDNZSDHQR-FQEVSTJZSA-N 488.639 2.095 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)NC2CCCCC2)CC1 1359132424 XGXDAFJPWOITDC-FQEVSTJZSA-N 473.622 2.423 30 10 JEEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(C)c1 1359132910 IDXWFPUVPZCXGF-FQEVSTJZSA-N 463.604 2.149 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCNC(=O)[C@H]1CC 1359293085 GILKJDXKFZEOEV-OAQYLSRUSA-N 461.570 2.370 30 10 JEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](c2ccc(F)cc2)C1 1359304384 WYEKGLCIQKEFRS-FQEVSTJZSA-N 453.522 2.159 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H]2CC(=O)N(CCOC)C2)C1 1359315891 DMPXENVXYFTXKO-FUHWJXTLSA-N 460.966 2.270 30 10 JEEE CC(=O)N1CC[C@@H](CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc(C#N)o2)C1 1359356211 IHSDEKOYNGEZSD-MBSDFSHPSA-N 456.547 2.136 30 10 JEEE CNS(=O)(=O)CCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CC[C@](F)(C#N)C1 1503830335 IFAISKNNLYRIDB-DJJJIMSYSA-N 452.581 2.123 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CCN2CCCCCC2)c1 1507550982 SXTLRALRTPOGBJ-OAQYLSRUSA-N 463.586 2.161 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCOC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1507625877 BSOHEMQWSVLASL-YYWHXJBOSA-N 453.568 2.116 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCN1CCCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1507634262 YEJXJMRFZJZYIM-HBMCJLEFSA-N 463.648 2.063 30 10 JEEE C#CCN(c1nnc(COc2ccccc2CC)n1C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1507638491 FXIYZMZRJXTZHJ-WOJBJXKFSA-N 458.584 2.225 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1(OCCOC)CCOCC1 1507658736 FZFARFQKMJYTRH-NHCUHLMSSA-N 458.603 2.482 30 10 JEEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1CCc1ccc(S(C)(=O)=O)cc1 1507672700 IHRQGGDTDDHSQW-UHFFFAOYSA-N 495.630 2.379 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@](C)(O)c2ccccc2Cl)CC1 1507715832 IWJSFKHEUFFYMM-DEOSSOPVSA-N 479.972 2.242 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H](C)Oc2cccc(F)c2)CC1 1507718783 HWBOLOKPRYNCNN-DVECYGJZSA-N 457.550 2.292 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCSC(F)(F)F)CC1 1507735684 FGPOZEDKOGJFRH-IBGZPJMESA-N 475.537 2.149 30 10 JEEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)c1cccs1 1507752144 VUPANKKLQJHSRU-JKSUJKDBSA-N 469.658 2.236 30 10 JEEE C=C(Br)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1507789834 NCWMQDBEGXMPEO-NEPJUHHUSA-N 468.333 2.292 30 10 JEEE C=C(C)COCCn1c(N2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)nnc1C(C)(C)C 1507849178 SVMQZOQJYWOFSJ-UHFFFAOYSA-N 460.623 2.109 30 10 JEEE C=C(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(OC)C1)c1ccccc1 1507850802 BJLPFXGJRNLEKT-REWPJTCUSA-N 475.615 2.330 30 10 JEEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1507937310 SMAUQNTVMCYRLX-HXUWFJFHSA-N 480.617 2.415 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N1CCO[C@H](COC(C)C)C1 1508078573 DNBCUOVAGKGAJX-IBGZPJMESA-N 450.543 2.426 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Br)cc2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1508089246 BBJIXZSWNGUKRO-CVEARBPZSA-N 492.330 2.036 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC(NC(C)=O)CC1 1508144875 YSIAJYXRAFTRFE-UHFFFAOYSA-N 475.615 2.180 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N(C)CC(=O)NC(C)(C)C 1508145557 MWKJQWXMZQFQNX-UHFFFAOYSA-N 468.023 2.474 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(CCc2cccs2)CC1 1508147026 GMLXBDBLYUMEIW-LJQANCHMSA-N 465.645 2.157 30 10 JEEE CCc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1CC1CCN(CCN(C)C)CC1 1513697265 DTZOYVLZKMXYBE-QHCPKHFHSA-N 481.645 2.422 30 10 JEEE Cc1nc(C#N)c(N2CCC(C(=O)Nc3ccc(OCCN4CCNC4=O)cc3C)CC2)o1 1518733978 FUSRKMBEOHMJTI-UHFFFAOYSA-N 452.515 2.422 30 10 JEEE C=C(Cl)CSc1nc(C)c(CC(=O)NCc2ccc(C(=O)NCC(N)=O)cc2)s1 1527009178 CVFSOUXZIRHIDQ-UHFFFAOYSA-N 452.989 2.370 30 10 JEEE CC[C@@H](C#N)Oc1cccc(CNC(=O)c2ccc3c(c2)S(=O)(=O)N(CCOC)C3=O)c1 1531640560 CCXQMRSEKWTJEW-KRWDZBQOSA-N 457.508 2.088 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1ccc(-n2cncn2)nc1 1538965910 RSAJTRVLLYQOGJ-INIZCTEOSA-N 475.944 2.343 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1538992535 SZBMLBKXEVVSSQ-LSDHHAIUSA-N 496.431 2.456 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC[S@@](=O)C(C)(C)C 1539002938 YSJQEHICHIGPGE-DHMKHTPVSA-N 450.634 2.243 30 10 JEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCCN1CCN(CC)CC1 1539154650 QTBWFGKRYAQTBI-UHFFFAOYSA-N 486.690 2.034 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1C[C@]1(O)CCSC1)[C@@H]1CCS(=O)(=O)C1 1539210755 DNQUHYOOPJLZKX-FOIQADDNSA-N 485.006 2.232 30 10 JEEE C#CCN(c1nnc(-c2ccccc2F)n1CCCc1c[nH]nc1C)[C@H]1CCS(=O)(=O)C1 1539212109 RMVCMWINTNMAFZ-SFHVURJKSA-N 456.547 2.375 30 10 JEEE C=C(Cl)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1539816932 HZMKBVCXXZINNG-HXUWFJFHSA-N 469.977 2.224 30 10 JEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](c2ccc(C)cc2)N2CCOCC2)CC1 1539829155 UQCKTHMTYMIESJ-IFMALSPDSA-N 488.658 2.427 30 10 JEEE C=CC[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C)C1)c1ccccc1 1539948856 SLQITRAPCBLHIC-TYPHKJRUSA-N 475.615 2.196 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)C[C@@H]1CCCO[C@H]1c1ccccc1 1540862093 QUHHBVSOIHUEMT-UNMCSNQZSA-N 466.586 2.420 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1540863559 YIIGBJDJISUEDO-MZNJEOGPSA-N 483.548 2.345 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](CC)NC(=O)OC(C)(C)C)C1 1540894933 HSHIZTMAPPSVRI-ZWKOTPCHSA-N 462.595 2.485 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 1540905471 WMOVWUDSPLXTSQ-IBGZPJMESA-N 490.630 2.358 30 10 JEEE CCOc1ccc(O[C@@H](C)c2nnc(N3CCO[C@@H](C#N)C3)n2CCCC(=O)N(C)C)cc1 1547978213 GREUPAOKMOWHPS-PXNSSMCTSA-N 456.547 2.414 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)Nc3ccccn3)n2Cc2nnc(C)s2)c1 1587683300 GUEZRQOVYTVCBW-UHFFFAOYSA-N 487.549 2.190 30 10 JEEE C#CCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1587879362 RZZNUUXMWCKKDZ-QHCPKHFHSA-N 484.670 2.070 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc2ccccc2s1 1588384730 AEHQBBNRXOUUGP-SFHVURJKSA-N 459.597 2.334 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(CSC)cc2)CC1 1588884656 IQZVSPOCXOFVDV-UHFFFAOYSA-N 468.627 2.293 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(N(C)C)CCSC2)CC1 1588898778 BOMRIXYVZZOTKL-VWLOTQADSA-N 477.638 2.220 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H]2CCN(CC)C2)CC1 1588908806 WTSZTPQPIBWITG-LJQANCHMSA-N 480.613 2.270 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1cccc(C(N)=O)c1 1589482763 KZYANZPTBCHIDA-VQTJNVASSA-N 452.559 2.231 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(NC(C)C)CC1 1594497540 IYDVUVKGILQCAV-LJQANCHMSA-N 468.668 2.180 30 10 JEEE C=CCN(c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(C(N)=O)nc1)C1CC1 1595058104 AOTWMMHUWXQALY-IBGZPJMESA-N 483.573 2.284 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@]2(O)CCOC2)C1 1595721191 CVBKZABAOYLMJH-KHCICDEESA-N 477.606 2.325 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1C[C@@H](C)O[C@H](c2ccccc2)C1 1595784478 GRYIXUIIZOSAJI-XLIONFOSSA-N 456.572 2.246 30 10 JEEE CC(C)(C)[S@@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1597706076 FWFVUOXTUOQBBG-FPYOTAMTSA-N 469.615 2.404 30 10 JEEE C[C@H](CC(=O)N(C)Cc1cnn(Cc2ccccc2)c1)/N=C1/NS(=O)(=O)c2ccccc21 1628969756 HAPZCWHIZDTROX-QGZVFWFLSA-N 451.552 2.407 30 10 JEEE C=CCn1c(SCC(=O)NC2CC(NS(C)(=O)=O)C2)nnc1-c1ccc(Cl)cc1 1633652725 KSQOWNDYPNXKDT-UHFFFAOYSA-N 455.993 2.073 30 10 JEEE C#CCNS(=O)(=O)c1cccc(C(=O)N(CCO)Cc2ccc(Br)s2)c1 1635851072 VOAFAGCFGUABRV-UHFFFAOYSA-N 457.371 2.057 30 10 JEEE C=CCN1CC[C@H](N(C)C(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2OCC)C1=O 1672605359 HMCPFMPMKAQPRT-SFHVURJKSA-N 452.577 2.366 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@@]1(C)CCCO1)[C@H]1CCS(=O)(=O)C1 1689984906 XWAZPMUKRUJBQN-GAJHUEQPSA-N 474.583 2.158 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC1(S(C)(=O)=O)CCC1 1690013240 HFAQDLLYOHBZLJ-UHFFFAOYSA-N 492.605 2.105 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccccc2OC)n1C[C@]1(N2CCOCC2)CCSC1 1690028116 KZNFQYJDNQRQIH-RUZDIDTESA-N 481.622 2.146 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@H]1COCCO1 1690043976 VBBNPSBCSLNDBT-IBGZPJMESA-N 460.538 2.114 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCOc2cccc(F)c2)CC1 1690146781 WQJFKAXFHFGCPN-IBGZPJMESA-N 455.534 2.356 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC)n2C[C@@H](c2ccc(C)cc2)N2CCOCC2)CC1 1690148653 OAAXQRRBLYZWEC-QHCPKHFHSA-N 464.614 2.188 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccccc2OC)CC1 1690152254 DOJJBGUFPITVHV-UHFFFAOYSA-N 461.570 2.162 30 10 JEEE C#CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1C[C@H](OC)C(C)(C)C1 1690169669 KGNJJHGWTJTZHB-KRWDZBQOSA-N 462.645 2.466 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCCN(Cc2noc(C)n2)CC1 1690720455 JVVUSPGEFLXLMD-UHFFFAOYSA-N 489.577 2.089 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1c(F)cccc1Cl 1690723547 VKSIQQHQEQHANZ-INIZCTEOSA-N 455.943 2.259 30 10 JEEE CC(=O)NC1CCC(N(C)c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)C(C)C)CC1 1690897895 HHZIYTAQOBHUPW-UHFFFAOYSA-N 481.601 2.384 30 10 JEEE CC(C)CC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1692288948 FCGGWZYLDUJKHA-QHCPKHFHSA-N 474.631 2.476 30 10 JEEE C[C@H](N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCOCC2)CC1)C(F)(F)F 1692758422 GIUUFVJBNGVSOY-INIZCTEOSA-N 464.492 2.431 30 10 JEEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCCO[C@@H](C)C2)CCO1 1697888311 CULKTANPKJESNY-UGKGYDQZSA-N 454.575 2.169 30 10 JEEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 1705559087 QPQSHAKHSBJAKO-JBACZVJFSA-N 453.543 2.237 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@H]1CCCN1CC)[C@@H]1CCS(=O)(=O)C1 1705563692 CQVNVQARUUJRIX-RTBURBONSA-N 457.600 2.065 30 10 JEEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1Cc1snnc1C)[C@@H]1CCS(=O)(=O)C1 1705568475 OGKSKNSMUHKACG-GOSISDBHSA-N 486.623 2.309 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCC(F)(F)F)cc1 1705582571 DRQGAXCDCGHCJA-KRWDZBQOSA-N 466.485 2.242 30 10 JEEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(N2CCN(CC)CC2)nc1 1705600904 PJHMOEAEROEYEC-UHFFFAOYSA-N 485.640 2.188 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)s3)n2CCN(C)CCCOC)CC1 1705635911 QFYJQEDARATHIJ-UHFFFAOYSA-N 481.464 2.493 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)s3)n2CC(=O)NCc2ccco2)CC1 1705635933 RJTVXVQXIWVSPN-UHFFFAOYSA-N 489.399 2.434 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccccc2F)nnc1N1CCC(NS(C)(=O)=O)CC1 1705709130 LHZLNCIBDYSLPD-HTAPYJJXSA-N 493.605 2.495 30 10 JEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 1705829916 FYLHLUMISHTJCN-OAQYLSRUSA-N 493.674 2.248 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C)on1 1705878330 MTUMDCDDQFPSPF-OAQYLSRUSA-N 486.598 2.191 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1705896466 NQQXAEKXWUVWEX-HUUCEWRRSA-N 495.447 2.228 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(=O)N(CC)CC)CC1 1705909017 JXDRZNTWCBNYLO-UYAOXDASSA-N 475.638 2.083 30 10 JEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](Nc2ccccc2)C1 1705937911 IKZOWRVIQIJNEE-FQEVSTJZSA-N 472.615 2.082 30 10 JEEE C=CCSCCn1c(N2CCN(C(=O)[C@H]3CCCO3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1705949796 JONTYECNZKYSPC-AUSIDOKSSA-N 479.647 2.066 30 10 JEEE CC(C)C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1)N(C)C 1706364710 BEKCIOYJGMJBPU-OAQYLSRUSA-N 475.601 2.380 30 10 JEEE CCO[C@H](CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1)C(C)C 1710409267 GLEJTBMUZLLZCH-UXHICEINSA-N 482.651 2.192 30 10 JEEE CO[C@H](C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1711505898 CXNBOUYVKGVAIM-GOSISDBHSA-N 460.542 2.154 30 10 JEEE COc1ccc([C@H](C)CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@@H](C)C#N)cc1 1711721030 CMFRYKHACXLBKF-WAOWUJCRSA-N 490.630 2.409 30 10 JEEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC1([S@](C)=O)CCC1 1722301226 KPIIFXQVVZKKGT-VTLMBFNKSA-N 468.671 2.402 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OCC)CCOC3)n2CCN2CCSCC2)c1 1722304771 GSOYUHDIFGSYOB-VWLOTQADSA-N 498.653 2.035 30 10 JEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2cccc(F)c2)C1 1722317103 QKGGWRIWHCMKHS-RTWAWAEBSA-N 491.589 2.132 30 10 JEEE C#CCCCn1c(CCOc2ccccc2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1722339556 WVPHRGYILDSOLI-UHFFFAOYSA-N 464.614 2.448 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCC[C@H]1OC)[C@@H]1CCS(=O)(=O)C1 1722362804 BYFKFDVQYZLECX-YXJHDRRASA-N 496.431 2.478 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC=C)[C@H]1CCS(=O)(=O)C1 1722365365 DMEXFCFFSJCDCN-MSOLQXFVSA-N 463.604 2.205 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H](C)c1nccs1)[C@H]1CCS(=O)(=O)C1 1722366846 SZKTZQCAFLMQDY-SPEDKVCISA-N 493.655 2.206 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1C[C@H](c1cccc(OC)c1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1722370674 DRUZDLQPYYQRHG-IFMALSPDSA-N 471.627 2.169 30 10 JEEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1C[C@H](C)N1CCN(CC)CC1 1722398889 DSBDPDCSUHKUHJ-QFIPXVFZSA-N 458.614 2.006 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1nccnc1C 1722417885 XKDCHRKDJKMORU-KRWDZBQOSA-N 471.562 2.008 30 10 JEEE C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1Cc1ccc(S(C)(=O)=O)cc1 1722425593 FGPSOKBWZAQVAW-UHFFFAOYSA-N 459.597 2.172 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1ccccn1 1722427720 YNKNJUZEHLEAMP-FQEVSTJZSA-N 470.574 2.310 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H]2CCCN2CCC)CC1 1722431087 FQLNLCCRJOOSLL-QFIPXVFZSA-N 484.048 2.491 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(OC)c(Br)c1 1722449941 VZJNWEMZMRAKST-INIZCTEOSA-N 462.348 2.135 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1722707452 PNKYGHZIHGDWHJ-TZIWHRDSSA-N 487.626 2.098 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@]2(N(C)C)CCSC2)C1 1722708808 DLXRUIHZRIHELE-JTSKRJEESA-N 457.604 2.144 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCN2CCOC(C)(C)C2)C1 1722710636 LWZWCLLKLSRMLO-YKSBVNFPSA-N 463.623 2.211 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCC(Cn2ccnn2)CC1 1722730439 RNTIHCMPDTWRMV-UHFFFAOYSA-N 461.617 2.039 30 10 JEEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC(F)(F)F)C[C@@]2(CCCOC2)O1 1726661379 APOHPVTWKSDCNL-QVKFZJNVSA-N 478.475 2.270 30 10 JEEE COC(=O)N1CCC(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1729783698 CWVQMDHQRGOAMF-JOCHJYFZSA-N 490.561 2.269 30 10 JEEE C#CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CCCS(=O)(=O)C1 1740607824 DYHIRBUEGAQWCZ-QZTJIDSGSA-N 465.620 2.287 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCOC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1740619326 NJGHFXJMVLSXRX-MRXNPFEDSA-N 487.460 2.407 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1C[C@@]1(O)CCSC1)[C@H]1CCS(=O)(=O)C1 1740619398 IJLYYASKCFZCSD-PXNSSMCTSA-N 467.016 2.093 30 10 JEEE C#CCN(c1nnc(-c2nnc(O)c3ccccc23)n1CCSCC=C)[C@@H]1CCS(=O)(=O)C1 1740622319 BRAUDUANRBZHRO-MRXNPFEDSA-N 484.607 2.140 30 10 JEEE C#CCN(c1nnc(Cc2c[nH]c3ccccc23)n1CCC(=O)N[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1740623909 CNZCTUYUFFOYFV-AZUAARDMSA-N 496.637 2.282 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CC[C@H](C)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 1740625526 OJKSDUSZPNJQJJ-UNMCSNQZSA-N 470.643 2.155 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1snnc1C)[C@@H]1CCS(=O)(=O)C1 1740627271 FZOSNEIOXNAVOJ-JFIYKMOQSA-N 478.644 2.032 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1nc2c(s1)CCCC2 1740671660 LSWYOSHYUOBTEU-SFHVURJKSA-N 492.671 2.039 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H](c2ccc(C)cc2)N(C)C)CC1 1740692673 NYLKSABAIRWALX-OZXSUGGESA-N 466.630 2.297 30 10 JEEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CC2CCN(CC(F)(F)F)CC2)CC1 1740697620 AJGSOUAQFKYZQK-UHFFFAOYSA-N 461.536 2.293 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC[C@H]2CCOC2)CC1 1740703127 HCIGABSTKPXXAQ-SFHVURJKSA-N 467.570 2.355 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C[C@@H]1COc2ccccc2O1 1740750806 FRZNTNYRZMMFLH-OOSNJVJTSA-N 491.614 2.146 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](COCc2ccccc2)C1 1740782467 FEYTUNJVWHMYGE-LEWJYISDSA-N 475.615 2.230 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](COc2ccccc2)C1 1740951705 LSZHKOXFQAHQDU-GOSISDBHSA-N 461.526 2.133 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1740956466 SNEUVXBONWTKRV-UHFFFAOYSA-N 495.971 2.442 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccc(C(F)(F)F)n2)C1 1740972085 CKZQAXFWKARPTR-UKRRQHHQSA-N 474.509 2.132 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1740989399 LWBVEPIPMSDMPP-UHFFFAOYSA-N 478.619 2.189 30 10 JEEE CC(C)(C)OC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(S(C)(=O)=O)CC2)CC1 1741214676 HWKZCCIAJGIJLW-UHFFFAOYSA-N 486.598 2.451 30 10 JEEE CCCN1CCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1745747651 DSIHOTAVONWNSM-VQTJNVASSA-N 472.615 2.226 30 10 JEEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1748725275 YFLFTPMLBRNOTP-UHFFFAOYSA-N 454.497 2.099 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCO[C@@H]1C(=C)C)[C@H]1CCS(=O)(=O)C1 1748807639 ADMXURFKKMZGRM-SESVDKBCSA-N 485.566 2.461 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1748817357 JMXSQTWICALLMQ-ZCNNSNEGSA-N 479.691 2.381 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@H]1CCCN(C(C)=O)C1 1748831539 OUUYDQKLULOQGI-LJQANCHMSA-N 465.554 2.302 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)NC2CCCCC2)CC1 1749039332 SJRSRBWITSRYRK-IBGZPJMESA-N 493.699 2.212 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1C(F)(F)C12CCC2 1749159146 PRKWBCDCWDFLTQ-HZPDHXFCSA-N 459.563 2.449 30 10 JEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2ccc(Cl)s2)C1 1749630139 OTGAWGAWEPWAED-UONOGXRCSA-N 474.008 2.090 30 10 JEEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1749663479 GRUQJFYXYVEQQX-RBUKOAKNSA-N 493.612 2.107 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1749731368 CEYJUHOTVLFNTA-HOTGVXAUSA-N 466.526 2.321 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1749732558 YWXYYUPMMZBSML-QYZOEREBSA-N 497.662 2.201 30 10 JEEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCC(CC)CC1 1749738877 ZUZCZHBBBADUFL-UHFFFAOYSA-N 451.618 2.497 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCC(CNC(=O)C(F)(F)F)CC2)nnc1C(C)(C)C 1749739821 KIQKRUUIDXATKE-UHFFFAOYSA-N 465.542 2.071 30 10 JEEE CC(C)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCSC2)[C@H](C)C1=O 1750836590 HULPRVFLKKYSPG-HXOBKFHXSA-N 454.600 2.378 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CCN1CCSCC1)[C@@H]1CCS(=O)(=O)C1 1760182925 KWDMNTGJYUCBSG-LJQANCHMSA-N 480.059 2.274 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2ccccc2OC)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1760204571 VJVOQXCDCCUVDN-FGZHOGPDSA-N 481.622 2.155 30 10 JEEE C#CCN(CCOC)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1760253222 OAAFARDYAXLDGY-URXFXBBRSA-N 451.527 2.153 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 1760257243 RPGANGIXNZOISC-NHCUHLMSSA-N 490.649 2.404 30 10 JEEE C=C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1760381882 CPMKDHCHCFZGJL-KKSFZXQISA-N 450.536 2.263 30 10 JEEE CC[C@@H](C)N(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(=O)NC)C1 1762017818 HERFXZPGAUMLNM-UYAOXDASSA-N 453.591 2.421 30 10 JEEE C[C@@H]1CCCN(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)C1 1762920471 HUYRWWTVYSXXBM-DENIHFKCSA-N 486.642 2.474 30 10 JEEE CC[C@@H](C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1763927069 GEQFBWHVCIESHJ-WIYYLYMNSA-N 499.641 2.126 30 10 JEEE CC[C@@H](C)NC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(NC(C)=O)CC1 1763944166 GZCCAPFCEZWHRY-QGZVFWFLSA-N 467.574 2.138 30 10 JEEE COCC1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCN(C)C2)CC1 1770815725 HJQWRWSYHRVIAY-DEOSSOPVSA-N 454.575 2.048 30 10 JEEE COCCN(CCC#N)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@]1(O)CCN(C)C1 1771111342 HYKPQNIWPSFENQ-QHCPKHFHSA-N 451.531 2.033 30 10 JEEE COc1cc(Cc2nnc(N3CCN(Cc4ccc(C#N)cc4)CC3)nc2O)cc(OC)c1OC 1859429925 IUFUETVLYKEFCA-UHFFFAOYSA-N 476.537 2.388 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)[C@@H]2CCCN(C(=O)COC)C2)c(C(=O)OCC)c1C 1860654750 ALYJPMZIROZCIQ-CQSZACIVSA-N 452.529 2.400 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(O)c([N+](=O)[O-])c2)cc1OC 1862579955 WJAMUSIGHZRCPQ-HXUWFJFHSA-N 471.466 2.458 30 10 JEEE C=CCOc1ccccc1[C@@H]1C(C(=O)N(C)CCO)=C(N)Oc2c1c(C)nn2-c1ccccn1 1865225088 SQIAPQTZRIJDMT-NRFANRHFSA-N 461.522 2.286 30 10 JEEE C=CCOc1ccccc1[C@H]1C(C(=O)N2CCN(CCO)CC2)=C(N)Oc2c1c(CC)nn2CCC 1865230928 ZCXWFCBYUMHVOV-JOCHJYFZSA-N 495.624 2.251 30 10 JEEE C=CCn1cc(OCC(=O)N=c2nc3nc(C)cc(C)n3[nH]2)c(=O)cc1CNc1ccc2[nH]ncc2c1 1870852891 LQZHNOQAPODTRT-UHFFFAOYSA-N 499.535 2.017 30 10 JEEE COc1ccc(CCc2nnc(SCC(N)=O)n2/N=C/c2ccccc2[N+](=O)[O-])cc1OC 1874219033 RHSUBHPTJXRJBX-FSJBWODESA-N 470.511 2.448 30 10 JEEE Cc1cccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCC(Oc3ncccc3C#N)CC2)c1 1891886457 RVWOVXHQHXTLGC-NRFANRHFSA-N 454.552 2.485 30 10 JEEE N#Cc1nccnc1OCC1CCN(C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)CC1 1891968831 OFTIVQVOPWHHNX-UHFFFAOYSA-N 455.540 2.064 30 10 JEEE CC(C)(C)OC(=O)NCCCNS(=O)(=O)c1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2255933818 SUOHVWKNPPSUIG-UHFFFAOYSA-N 458.361 2.318 30 10 JEEE CC(C)(C)OC(=O)N1C2CCC1(C(=O)N=c1nc(B3OC(C)(C)C(C)(C)O3)[nH]s1)CC2 2256618239 OVQIYPAYKGXPEP-UHFFFAOYSA-N 450.370 2.130 30 10 JEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1C[C@@H](NC(=O)OC(C)(C)C)C[C@@H](O)C1 2267127889 LZJBZRLWWXQATD-LSDHHAIUSA-N 466.409 2.456 30 10 JEEE Cc1nn(C)c(C(=O)NCCCCCNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267136328 JEZSBDLMZZXZQD-UHFFFAOYSA-N 450.389 2.453 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCOC[C@@H]1NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2267368920 PYYRMDLQXQAHMD-GJZGRUSLSA-N 488.437 2.008 30 10 JEEE CCCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N(CCO)CCNC(=O)OC(C)(C)C 2281818235 XVVGCFQNEJJNNW-UHFFFAOYSA-N 465.400 2.157 30 10 JEEE CC(C)(C)OC(=O)N1CC(C2CCN(C(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)CC2)C1 2281929897 FWJGXUXATHEYOC-UHFFFAOYSA-N 460.384 2.428 30 10 JEEE Cn1cc(C(=O)NC2([C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)nc1B1OC(C)(C)C(C)(C)O1 2282032894 LRQDZPLJROIYTB-OAHLLOKOSA-N 460.384 2.239 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2282059044 DFBFNRCDCVVVLV-SJORKVTESA-N 458.368 2.390 30 10 JEEE CN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn1C)[C@@]1(CNC(=O)OC(C)(C)C)CCOC1 2282178252 MMBJRCOVTNDLLP-HSZRJFAPSA-N 463.384 2.080 30 10 JEEE C[C@H]1CN(S(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CCCN1C(=O)OC(C)(C)C 2282291840 NFARLUUKCHANAB-INIZCTEOSA-N 481.424 2.401 30 10 JEEE Cn1nc(C(=O)N2C[C@H]3CCN(C(=O)OC(C)(C)C)[C@H]3C2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2282548339 XBSUVZBAKFFJMY-KGLIPLIRSA-N 480.802 2.454 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC2CC3(C2)C[C@@H]3NC(=O)OC(C)(C)C)n1 2282587601 ADVLXQQFEGEMOP-LTIDEOFWSA-N 460.384 2.378 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2[C@H](CCN2Cc2ccccc2)C1 2282594013 YLGRDSRIKQXSMP-WOJBJXKFSA-N 450.392 2.374 30 10 JEEE CC1(C)OB(c2cnc(C(=O)NC[C@@]3(O)CCN(Cc4ccccc4)C3)c(Cl)c2)OC1(C)C 2282607832 ZHWSGANXHCCNTF-DEOSSOPVSA-N 471.794 2.401 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@H]2CCN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)c[nH]3)C[C@@H]21 2282647206 YTXKCEWKDUEWPB-ROUUACIJSA-N 461.368 2.164 30 10 JEEE Cc1cc(NC(=O)[C@@H](CCC(N)=O)NC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2284035300 BLGNTODIFOBHFV-QGZVFWFLSA-N 461.368 2.392 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@H]2NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2334266866 DRIDWGKOXFYILL-WBAXXEDZSA-N 464.393 2.272 30 10 JEEE CCC[C@@H](CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nc(C)n1C)NC(=O)OC(C)(C)C 2337190520 OSBKVIHHLMKDGR-HNNXBMFYSA-N 450.389 2.451 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC2(CNC(=O)OC(C)(C)C)CCC2)n1C 2362337248 WCXABAFEIFUUAE-UHFFFAOYSA-N 462.400 2.453 30 10 JEEE C[C@@H](CNC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 2362504540 DFFRADMHDXPJNH-RCDICMHDSA-N 481.424 2.180 30 10 JEEE Cc1cc(CNC(=O)CN(C)CCNC(=O)OC(C)(C)C)cc(B2OC(C)(C)C(C)(C)O2)c1 2369680894 XHHROVGKVCLAFD-UHFFFAOYSA-N 461.412 2.367 30 10 JEEE Nn1c(N/N=C/c2ccc(Br)cc2)nnc1SCC(=O)NCc1ccco1 21316028 GYEKSIUVTVYNSO-DNTJNYDQSA-N 450.322 2.202 30 10 JEEE COc1ccccc1/C=N/Nc1nnc(SCC(=O)Nc2cccc(NC(C)=O)c2)n1N 21319527 SJUMNFREUZMDPW-SSDVNMTOSA-N 454.516 2.136 30 10 JEEE C=CCn1nc(C)c(/C=N/Nc2nnc(SCC(=O)Nc3ccc(F)cc3F)n2N)c1C 59829849 QJFPXLZRUOBRPF-NUGSKGIGSA-N 461.502 2.446 30 10 JEEE Cc1ccc(-n2c(=C(C#N)C(=O)NCC(C)C)sc(=Cc3cnn4ccccc34)c2=O)cc1 729668932 VTJCQLCVCMTOJF-UHFFFAOYSA-N 457.559 2.130 30 10 JEEE C#CC[C@H](NC(=O)[C@@H](CCN(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 757565526 YJXZORXFRJHJMR-PKTZIBPZSA-N 463.534 2.438 30 10 JEEE COC(=O)c1ccc(C=NNc2nnc(SCCC(=O)Nc3ccccc3OC)n2N)cc1 1084641998 KGIABQJUGHXHHR-UHFFFAOYSA-N 469.527 2.354 30 10 JEEE C#CC[C@@]1(C(=O)N2CCC(c3nc(C(=O)OCC)n[nH]3)CC2)CCCN1C(=O)OC(C)(C)C 1156264741 BUCIGJUAZZGRHH-QHCPKHFHSA-N 459.547 2.480 30 10 JEEE C#C[C@@H]1CCCN(C(=O)c2cc(S(=O)(=O)NC[C@@H]3CCCO3)ccc2Br)C1 1163599530 UMBWQJZQSVIAMP-CABCVRRESA-N 455.374 2.392 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2CCCNC(=O)C2CCC2)c1 1286308780 CUNPUFCDPGYSRZ-UHFFFAOYSA-N 472.553 2.098 30 10 JEEE C#CCCCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1286356173 CMRDULQLMBUAGF-IBGZPJMESA-N 461.563 2.414 30 10 JEEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 1286357969 FCGYBSDRLAIBJK-QRFRQXIXSA-N 461.588 2.260 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1CCc1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 1286387126 OHOBIFOQPZFUQM-FQEVSTJZSA-N 451.552 2.218 30 10 JEEE C#CCN(c1nnc([C@@H]2COc3ccccc3O2)n1CCN(C)[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1286391195 CWYPSPNUITXVSF-JQVVWYNYSA-N 487.626 2.148 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2CCC2(O)CCC2)CC1 1286491190 IKGQBEGRFKBKBP-UHFFFAOYSA-N 457.525 2.418 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCN(C)CCOC 1286522424 KACATSXMNVGURP-NTKDMRAZSA-N 476.622 2.157 30 10 JEEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1286695287 TTZHPSZPHQYANG-ZACQAIPSSA-N 468.624 2.158 30 10 JEEE C=CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCC[C@@H]1NC(=O)NC1=O 1286725505 UZBBZPBRHJJCHS-INIZCTEOSA-N 461.567 2.003 30 10 JEEE C=CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1286777671 CZMRNYJLWIGNMO-UHFFFAOYSA-N 460.991 2.337 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCC2(CC1)COC(=O)N2 1286783993 SNGZKDDJRNPIAH-UHFFFAOYSA-N 484.557 2.124 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CC[C@](O)(Cc2cccc(Cl)c2)C1 1286784978 AIQBACBKIHLKRH-QHCPKHFHSA-N 454.962 2.423 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN([C@@H](C)c2cccc(OC)c2)CC1 1286820030 CEEGGABWPVOYLX-FPOVZHCZSA-N 489.642 2.275 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1286822002 FVVLXIHEZOHALS-LJQANCHMSA-N 471.587 2.015 30 10 JEEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](CC(C)C)C1 1286832334 RVJWXRGODSZQOU-ZWKOTPCHSA-N 457.666 2.403 30 10 JEEE CC(=O)N1CC[C@@H](CN(C)c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(C)n(C)c2=O)C1 1286848192 FRKFOHFMBDOION-NRFANRHFSA-N 489.580 2.089 30 10 JEEE CC(C)NC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1288208435 DMFZSNWNPMUPIF-LJQANCHMSA-N 479.585 2.138 30 10 JEEE C#CCN(c1nnc(-c2ccccc2F)n1CCCOC[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1300486810 BNDYTQIWFKVEGX-MOPGFXCFSA-N 476.574 2.297 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@H](CC(C)C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1300496891 VWSWKAFNYTXVBD-AABGKKOBSA-N 451.637 2.123 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1cccc(C(F)(F)F)n1)[C@@H]1CCS(=O)(=O)C1 1300501156 HDZDMWCLMYKCEA-GOSISDBHSA-N 490.511 2.353 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC[S@](=O)CC 1300675993 JRWCNEVYVRDAGO-NMEJYPJZSA-N 453.609 2.205 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCOC3)n2Cc2sc(C)nc2C)n1 1300681312 MPCCWOGQYSHJHT-GOSISDBHSA-N 455.588 2.386 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccc(Cl)c(OC)c2)CC1 1300685102 GIGKHGJDYKNOMY-QHCPKHFHSA-N 459.978 2.396 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2CCCN2C[C@@H](C)O[C@H](C)C2)CC1 1300715660 BKNSCJBRBUNBAP-NHCUHLMSSA-N 494.640 2.419 30 10 JEEE C#CCSCCn1c(-c2ccccc2C)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1300751712 OWOSSCSAJLETHO-FQEVSTJZSA-N 489.667 2.251 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 1300763741 ROMYKXZDFMZGJX-IRXDYDNUSA-N 483.660 2.040 30 10 JEEE C#CCSCCn1c(Cc2ccccc2F)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1300766026 PYBTZWSFNUTPNX-SFHVURJKSA-N 479.647 2.482 30 10 JEEE C=C(Br)Cn1c([C@H]2CCCCO2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1300843195 DEFMRGIWNOBAOS-MRXNPFEDSA-N 455.401 2.075 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@H](C(=O)NC)C1 1300862839 GSMWAYYYKRHILS-QLFBSQMISA-N 456.385 2.057 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N1CCN(CCOC)C(=O)C1 1300898076 WBKLMNQXDZNVNH-JPYJTQIMSA-N 473.549 2.272 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCSC2(CCCCC2)C1 1300952572 YSHKVRIPDWVKOJ-KRWDZBQOSA-N 455.650 2.443 30 10 JEEE C=C(Cl)Cn1c(N2CCN(CC(=O)N[C@@H]3CCC[C@H](C)C3)CC2)nnc1[C@@]1(OCC)CCOC1 1301060536 HLKKXIHSICLFOL-MFSJNOQSSA-N 495.068 2.500 30 10 JEEE C=CCCCn1c(N2C[C@H](C)[C@H](N3CCN(C(C)=O)CC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1301235080 UZYDEBHRDSFFNF-HOKHCIIBSA-N 474.650 2.274 30 10 JEEE C=CCCOCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1301252147 KTNYOFVBGHFXNK-RBUKOAKNSA-N 489.621 2.199 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1301483883 XNDAXQJPGIMUNK-UHFFFAOYSA-N 495.971 2.442 30 10 JEEE C=CCOc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(N(C)C(C)=O)CC2)cc1 1301526197 MWTLMHNVYKOQEP-FQEVSTJZSA-N 487.626 2.240 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCC(O)(C(F)(F)F)CC1 1301588765 IYPXPWVLDIKDEB-AWEZNQCLSA-N 452.499 2.014 30 10 JEEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(C(C)(C)C)n1CCC(=O)NC(C)(C)C 1305120320 DEXKTYPAWHSBJY-MRXNPFEDSA-N 453.595 2.257 30 10 JEEE CCCN1CCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](CNC(C)=O)C1 1313446662 DOQOZZJLNOPWOG-FCHUYYIVSA-N 451.575 2.032 30 10 JEEE CN(C)[C@@]1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)CCSC1 1314651758 AKBKGMHCYVOPJX-SIKLNZKXSA-N 474.656 2.267 30 10 JEEE CN(C)S(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1314675227 HWPNQTMRVOHJBN-UHFFFAOYSA-N 495.609 2.075 30 10 JEEE N#Cc1ccc(-c2nnc(N3CCC[C@@H](CN4CCOCC4)C3)n2CC(=O)NCC(F)(F)F)cc1 1316529225 BTYGXJBDUSIIRN-SFHVURJKSA-N 491.518 2.044 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cn3nc(C)cc3C)n2CCCC(=O)N(C)C)c1 1358903237 PEQHLNHJGHKMTF-UHFFFAOYSA-N 476.585 2.064 30 10 JEEE C#CCCCn1c(Cc2ccccn2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 1358931535 FECCDCQQLOWWEY-FYYLOGMGSA-N 463.630 2.494 30 10 JEEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CN(CC(C)C)CCO1 1358954307 CXUDSQIISOIZTD-HSALFYBXSA-N 460.623 2.475 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCN(CCC)C1)[C@H]1CCS(=O)(=O)C1 1358961497 ACSVFWWXEHNJGU-UXHICEINSA-N 456.616 2.007 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1cn2ccsc2n1 1358971850 KYQPZTOKKZLHJR-UHFFFAOYSA-N 479.591 2.026 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@](C)(O)[C@H](C)CC 1358979167 FFZDLDWMSIDRRC-IMWIBFENSA-N 459.591 2.456 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cc2c(cc1OC(F)F)OCO2 1358992344 IVHVBOIWWOTZBU-HNNXBMFYSA-N 457.437 2.071 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCN1CCCCC1=O 1359002846 OVHSUWNQAYHUBW-UHFFFAOYSA-N 472.615 2.058 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(Cl)cc2OC)CC1 1359046920 KVSVNPVVLJFVKL-UHFFFAOYSA-N 484.988 2.077 30 10 JEEE C=C(Br)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@H](OCCOC)C1 1359081893 RPCGSHFZBUKDPT-HNNXBMFYSA-N 499.435 2.389 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)C[C@H](C)CC 1359098786 FXUZIXLMDWFZPB-ZRNYENFQSA-N 469.652 2.465 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN1CCOC[C@H]1C 1359111982 UXJVWSXVNKUBGG-GOSISDBHSA-N 451.575 2.315 30 10 JEEE C=CCCCCn1c(N2C[C@H](C)[C@H](N3CCN(C(C)=O)CC3)C2)nnc1[C@]1(OCC)CCOC1 1359206875 SAGCERFIYFGHRX-HOKHCIIBSA-N 474.650 2.275 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC[C@H]1CSC 1359298706 JDJLSVQIAIMICY-INIZCTEOSA-N 467.599 2.309 30 10 JEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)O[C@@H](c2ccsc2)C1 1359303916 FPKGCLIFHDKHAT-PKOBYXMFSA-N 455.588 2.470 30 10 JEEE C=CCNC(=O)Cn1c(N(C)Cc2ccc3c(c2)OCCO3)nnc1[C@@]1(OC(C)C)CCOC1 1359306075 VELFTMJJLOPZNC-XMMPIXPASA-N 471.558 2.029 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1C[C@H](OC)C(C)(C)C1 1359335404 KUIZBMDVYRABBE-SFHVURJKSA-N 452.552 2.458 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(C)=C(Br)C1 1359336321 MBRXNEVDPNXOBH-RDJZCZTQSA-N 489.436 2.482 30 10 JEEE C[C@@]1(C#N)CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCOc2ccc(Cl)cn2)C1 1360784543 HAGQJOGMMASQNH-YWZLYKJASA-N 464.979 2.438 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC2(CC(=O)OC(C)(C)C)CCOCC2)s1 1450941447 HUTDJNWVKLDRKO-UHFFFAOYSA-N 458.602 2.152 30 10 JEEE COC(=O)c1csc(S(=O)(=O)N2CCN(C(=O)Nc3scc(C)c3C#N)CC2)c1 1476558614 FBVYHIDUMBZKCP-UHFFFAOYSA-N 454.555 2.315 30 10 JEEE CCC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCS(=O)(=O)C2)CCO1 1500282404 AGHNPFCYNBOQJD-ICSRJNTNSA-N 459.572 2.169 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H](C)N(C)C1CC1)[C@@H]1CCS(=O)(=O)C1 1507628065 MWSRRQSGOZMGRD-YLJYHZDGSA-N 487.626 2.072 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1ccc(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1507632328 ZDMUWLLGASWCOR-IBGZPJMESA-N 481.578 2.341 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2CCS(=O)(=O)CC)CC1 1507721524 VBMXOGIGLDWXJO-QGZVFWFLSA-N 461.657 2.321 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCc2csc(C(C)C)n2)CC1 1507739774 DVWIGBLPEFSDDP-UHFFFAOYSA-N 483.642 2.189 30 10 JEEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1507779784 RHDCCBVBWQYNOY-STQMWFEESA-N 484.317 2.416 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1507807993 XLANZZLJVVKWHV-SJBKTWHCSA-N 474.631 2.011 30 10 JEEE C=C1CCN(c2nnc(CN3CCCC3=O)n2CCOc2ccc(S(C)(=O)=O)cc2)CC1 1507888176 WXBGDXLUQQNAGR-UHFFFAOYSA-N 459.572 2.039 30 10 JEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC(Oc2cncc(Cl)n2)CC1 1508084074 HFQKQQCQZXRHGL-UHFFFAOYSA-N 489.005 2.427 30 10 JEEE C[C@H](CC(N)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1CC1(N2CCCC2)CCOCC1 1509967645 BEYBGCRULLWHEV-LJQANCHMSA-N 481.601 2.074 30 10 JEEE CCN(CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1)C(C)C 1515727594 HZSGWSDDMYHTSA-QHCPKHFHSA-N 499.685 2.104 30 10 JEEE COCC[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCS(=O)(=O)C2)C1 1519007176 GBGJVEAESBEPGD-RTBURBONSA-N 459.572 2.026 30 10 JEEE Cc1ccc(C(=O)N2CCC(C#N)(c3ccccn3)CC2)cc1S(=O)(=O)N1CCOCC1 1519486448 GJDUZUVYSITWFW-UHFFFAOYSA-N 454.552 2.109 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H](C)N(C)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1539216247 PTPXWICGDFPCGD-TZIWHRDSSA-N 466.611 2.420 30 10 JEEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1Cc1cccc(N2CCOCC2)n1 1539333514 FQNDVLUINCRFJP-UHFFFAOYSA-N 489.605 2.012 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccn3)n2CC2CCN(C(=O)OC)CC2)n1 1539423801 HBWKYNKDNMNKNE-UHFFFAOYSA-N 492.584 2.301 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2CC2(SC)CCN(C)CC2)CC1 1539454107 WRQAJARBGZBZAI-UHFFFAOYSA-N 468.671 2.460 30 10 JEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC(CN2C[C@H](C)O[C@H](C)C2)CC1 1539489823 OQJPCAOICRDFTL-BGYRXZFFSA-N 474.675 2.206 30 10 JEEE C#CCSCCn1c(-c2ccc(C)o2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1539499641 NQYWUCYXKALRAB-FXAWDEMLSA-N 456.616 2.202 30 10 JEEE C#CCSCCn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1539519509 JFMQRCJOYKLQQH-NRFANRHFSA-N 453.612 2.371 30 10 JEEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1539533730 TWMNMZLTGAZHTE-HKBOAZHASA-N 473.647 2.493 30 10 JEEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1539759166 XQIBRNIXYCGHJT-UHFFFAOYSA-N 487.630 2.200 30 10 JEEE C=C(Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC(=O)NC)CC1)c1ccccc1 1539766966 HBZWQWJCYLJCSH-HXUWFJFHSA-N 457.600 2.246 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)c2c(C)noc2C)CC1 1539847628 IMCOFNFMLVKHGQ-CRAIPNDOSA-N 464.592 2.176 30 10 JEEE C=CCCOCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1540028998 VZPURAWMCYYEMS-UHFFFAOYSA-N 482.976 2.407 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccccc2CN2CCOCC2)C1 1540882876 PZMCLWKNVOEFLR-JOCHJYFZSA-N 468.602 2.078 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)C[C@H]1CCCCO1 1540902830 RPKLNZZVBLMBOY-HXUWFJFHSA-N 489.646 2.058 30 10 JEEE CCCN(CC)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@](F)(C#N)C1 1547118337 FWHVTQFMZHRFGI-NRFANRHFSA-N 462.599 2.412 30 10 JEEE C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)N2CC(C(N)=O)C2)ccc1Cl 1558037706 PLNGSPPQCWGMOK-UHFFFAOYSA-N 451.907 2.418 30 10 JEEE CN(CCO)S(=O)(=O)c1ccc(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)cc1 1566826076 BLMRZYOHWQNLOJ-UHFFFAOYSA-N 459.915 2.262 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1C[C@@H](c1ccccc1)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1588029202 FCKRZHJDMBWIKH-PUHATCMVSA-N 485.654 2.492 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1csc(C)c1)[C@@H]1CCS(=O)(=O)C1 1588034665 KAROMSJWRALACA-KNQAVFIVSA-N 478.640 2.364 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCOc1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 1588055456 VYSMQTVIGCVSSJ-SJLPKXTDSA-N 464.975 2.141 30 10 JEEE C#CCN(c1nnc(CC2CCCC2)n1CC[S@](=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1588064640 MJPUMTDVFFWKOW-YRVHBCJASA-N 454.662 2.185 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CC1(OCC)CCCC1)[C@H]1CCS(=O)(=O)C1 1588065001 QXUJWWDQISIJIT-FQEVSTJZSA-N 457.600 2.240 30 10 JEEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCNC(=O)c1cccc(OC)c1 1588385762 JRIMAURCYTWLDB-UHFFFAOYSA-N 488.596 2.350 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCSC1 1588647313 UMFIMMLQAYKAER-ROUUACIJSA-N 465.620 2.426 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCN2CCC(C)CC2)CC1 1588884733 LVUNFBCKNMOFIK-UHFFFAOYSA-N 492.628 2.013 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CCc2csc(CC)n2)CC1 1588954342 FWIDZYBEJUCDAF-UHFFFAOYSA-N 463.611 2.491 30 10 JEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2CCN(Cc3ccccc3)[C@@H]21 1588983806 CDLKXMNVBOBLMY-RCZSKKKRSA-N 488.683 2.313 30 10 JEEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1593666773 WYCSBDCHSCIRAW-UHFFFAOYSA-N 466.633 2.096 30 10 JEEE C=CC[C@@H](Cn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)N(C)C)CC1)c1ccccc1 1594544003 GOOLKBONUHQNDV-FCHUYYIVSA-N 452.603 2.352 30 10 JEEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2c(F)cccc2F)CC1 1594733370 RUQIIVSQBMHVHB-MRXNPFEDSA-N 479.553 2.387 30 10 JEEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCS[C@@H](C)[C@H]1C 1595545389 WXXLOYFWZYPRNB-SJORKVTESA-N 456.620 2.085 30 10 JEEE CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)N2CCC(C)CC2)CC1 1615938273 CSCWQLVFSBYHRJ-OAQYLSRUSA-N 478.645 2.195 30 10 JEEE CO[C@@H]1O[C@H](COS(=O)(=O)c2ccc(C)cc2)[C@H](OC(C)=O)[C@@H]2OC(c3ccccc3)=N[C@@H]12 1615946143 BOYDSGVAFVWMGZ-ZFVIQDPVSA-N 475.519 2.218 30 10 JEEE C=CCOC[C@@H](NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(F)cc2)c1)C(=O)OC 1626205173 YKMDFMORGZLLPH-GOSISDBHSA-N 450.488 2.409 30 10 JEEE C=C[C@@H]1OCCC[C@H]1NC(=O)c1cc(S(=O)(=O)NC[C@@H]2CCCO2)ccc1Br 1628005875 KPYXXLKUNZIILD-VHSSKADRSA-N 473.389 2.370 30 10 JEEE C=CC[C@]1(C(=O)N2CCC(N3CCS(=O)(=O)CC3)CC2)CCCN1C(=O)OC(C)(C)C 1631725451 PPQANRUTCCQWLT-JOCHJYFZSA-N 455.621 2.054 30 10 JEEE CC(C)[C@H](CCN(C)C(=O)C/N=C1/NS(=O)(=O)c2ccccc21)NC(=O)OC(C)(C)C 1634670052 AOHWQRFCWYRKRS-INIZCTEOSA-N 452.577 2.123 30 10 JEEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(OC)c(NC(=O)c2ccccn2)c1 1664904182 VXHFKHZGFCHEQG-UHFFFAOYSA-N 459.524 2.308 30 10 JEEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@@H](COC(C)C)C1 1689929751 DASZEBBJFQIJAD-OAQYLSRUSA-N 453.591 2.496 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1cccc(COC)c1)[C@H]1CCS(=O)(=O)C1 1689992317 JGQGNLXPHFDFPQ-QFIPXVFZSA-N 465.579 2.085 30 10 JEEE C#CCN(c1nnc(COCC)n1Cc1ccc(OC(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 1689996798 ONCXJDAYPUSONY-MRXNPFEDSA-N 454.499 2.091 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1CCS(=O)(=O)C(C)(C)C 1690004740 DWSFMEHFYUUPQU-UHFFFAOYSA-N 452.378 2.322 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCN1CCOC[C@@H]1C 1690043421 AMLXXMYUMCBSRU-NRFANRHFSA-N 487.608 2.249 30 10 JEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1Cc1cccc(CN2CCO[C@@H](C)C2)c1 1690052845 RKWQXQXLSIURDZ-QFIPXVFZSA-N 474.609 2.132 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccc(OC)cc2)CC1 1690138038 QMXYIIYBWXPSQH-AREMUKBSSA-N 481.597 2.341 30 10 JEEE C=C(C)COCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](OC)C1 1690312871 FHPXEPAUWLLZCP-MSOLQXFVSA-N 451.568 2.404 30 10 JEEE C=CCSCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCO[C@H](C(=O)NC)C1 1690742619 WFAUOWUQGTUZIH-IBGZPJMESA-N 497.625 2.106 30 10 JEEE CS(=O)(=O)Cc1ccc(Cn2c(Cc3cccnc3)nnc2N2CC[C@](F)(C#N)C2)cc1 1698302003 AQHCXWHAIUZUSP-QFIPXVFZSA-N 454.531 2.299 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CC2([S@@](C)=O)CCC2)c1 1705505749 SHYFNEQRRFWGSS-MGBGTMOVSA-N 465.583 2.036 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCCN2CC)c1 1705506579 BPZXJHPUNVBLKS-IFMALSPDSA-N 498.653 2.111 30 10 JEEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 1705508674 ZRQYMXUDDZJNTP-UHFFFAOYSA-N 452.534 2.419 30 10 JEEE C#CCCCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1705512044 OIALCPKIKCSAQM-OAQYLSRUSA-N 455.559 2.496 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1CC(C)(C)C(=O)NC)[C@@H]1CCS(=O)(=O)C1 1705563222 STBBTKSMDZDNOL-OAHLLOKOSA-N 481.981 2.137 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1705563323 VDQWRTCYMCFNGH-GOSISDBHSA-N 463.007 2.106 30 10 JEEE C#CCN(c1nnc(COc2ccccc2CC)n1C[C@](C)(O)C(C)C)[C@H]1CCS(=O)(=O)C1 1705568857 WIFLRUZZKGTTBG-RDPSFJRHSA-N 474.627 2.453 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCOc2ncccc2F)CC1 1705634450 WJJOZKLHEHDVDY-UHFFFAOYSA-N 474.338 2.404 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2CCO[C@H](C)C2)CC1 1705644879 DUKCJNCILUOTJH-RNHFSVANSA-N 473.618 2.100 30 10 JEEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1705888113 FVWCPRPVMUJERB-GOSISDBHSA-N 474.631 2.370 30 10 JEEE C=CCn1c(N2CCC(CNS(C)(=O)=O)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705894127 ZFDRMFGRCZDCEU-CALCHBBNSA-N 468.624 2.000 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCC[C@H]1c1nncn1C 1705935170 JAFZAWQDRGRUDZ-SFHVURJKSA-N 459.551 2.079 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(c2ccccc2F)C[C@@H]1C 1705936391 PXISMBONZMRDRX-ROUUACIJSA-N 463.579 2.237 30 10 JEEE CCC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1708304698 BOYDVQPDGWFGNN-UHFFFAOYSA-N 465.602 2.234 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2CCCc2cnn(C)n2)c1 1722306476 ANQWJQPFDVVCGZ-UHFFFAOYSA-N 469.553 2.081 30 10 JEEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1722311711 ZWPFJAVOTGGZNP-OALUTQOASA-N 473.555 2.113 30 10 JEEE C#CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@]2(CCOC2)C1 1722317598 UHAUZMZQKZNAPM-CYFREDJKSA-N 475.590 2.386 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@H]2N(C)CCCC2(C)C)CC1 1722449194 NZKORIPTEQDKIT-JOCHJYFZSA-N 463.630 2.350 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2C[C@](C)(O)C2CC2)CC1 1722450611 NPFLLHHKBHHDNF-DEOSSOPVSA-N 455.534 2.123 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(-n2cccn2)cc1 1722467007 KENBMQCTBYTZLD-HTAPYJJXSA-N 453.572 2.114 30 10 JEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)c2ccc(C)cc2)CC1 1722535409 HQAFYGFQXWUBNA-UHFFFAOYSA-N 466.586 2.264 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c(-c2cnccn2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1)C(C)C 1722664482 ALQTZTARUFZDMC-ZJSXRUAMSA-N 485.658 2.449 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CN(Cc2ccccc2)CCO1 1722671657 AZKVUEDBNJEXTD-FGZHOGPDSA-N 471.627 2.260 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CCC[C@H]1c1nncn1C 1722697267 YTMHUMPVHDPDBR-INIZCTEOSA-N 471.363 2.480 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1 1722728042 NGUBUPUXWIXSNC-QGZVFWFLSA-N 483.635 2.266 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CCN(C)CC(F)(F)F 1723611880 FTGVJOUVSXBSBE-UHFFFAOYSA-N 496.513 2.248 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1cnn(-c2ccccc2)c1 1723778134 CYBHQQLLPFSIII-PKOBYXMFSA-N 453.572 2.347 30 10 JEEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCC[C@H]2C)C[C@@H]1C 1730798882 HDUQBXOLMZZEMY-OHUGHZGNSA-N 468.602 2.437 30 10 JEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccc(C)cc2)CC1 1740573777 HPZRKTYDOCAXDJ-QFIPXVFZSA-N 486.642 2.050 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1cccnc1OCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1740621536 NEQIQDWFBXWILQ-INIZCTEOSA-N 494.499 2.284 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@@H]1CCC[C@@H]1OC)[C@H]1CCS(=O)(=O)C1 1740628389 PYYAVPQBJOOXSN-CUWPLCDZSA-N 476.574 2.438 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(SCC)c1 1740657150 QURQOTKMXSEECG-OAQYLSRUSA-N 487.651 2.234 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(N2CCSCC2)cc1 1740678161 CSUAAXZISNXENX-UHFFFAOYSA-N 468.627 2.202 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCO[C@H]1C(C)(C)C 1740685427 FNNNRPSZNICIOF-IPMKNSEASA-N 452.621 2.108 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1740755987 MWYMVSVOMNIMHB-IKLNAOFOSA-N 456.543 2.295 30 10 JEEE C=C(C)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1740781102 JDDXQVHPPISVJP-UHFFFAOYSA-N 455.588 2.473 30 10 JEEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cccnc1N1CCOCC1 1740899581 DORWFAIZCGHQDL-HXUWFJFHSA-N 499.616 2.489 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCCN(C(C)=O)CC2)cc1 1740965749 LYMRLFYUOUWWNF-UHFFFAOYSA-N 452.559 2.186 30 10 JEEE CCn1cnnc1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@](F)(C#N)C1 1746368355 HXGCVPCGVUTPAH-YCRPNKLZSA-N 459.530 2.452 30 10 JEEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1CC1(C(N)=O)CCCC1)[C@@H]1CCS(=O)(=O)C1 1748820937 JQYGBUVBQFRBPT-HXUWFJFHSA-N 499.637 2.146 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCOC1CCOCC1 1748886315 DQYYGWXIMPUONP-UHFFFAOYSA-N 484.626 2.287 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CCS(=O)(=O)C(C)(C)C)CC1 1748978798 OQXQKMOAKXMBBB-UHFFFAOYSA-N 481.626 2.304 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCN(CC(F)(F)F)C2)CC1 1748979590 GEDMNWGLCFELRF-LJQANCHMSA-N 457.504 2.456 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(C)(C)N[C@@H](C)c2ccccc2)CC1 1748990018 SPIRRNQDKSCTPR-RBBKRZOGSA-N 484.670 2.065 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@]2(C)COCCO2)CC1 1749019585 ZVGNHNSWKQGNIZ-AREMUKBSSA-N 481.597 2.245 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2OC)n1C[C@H]1CC(=O)N(CCOC)C1 1749071737 PHGQQYYLUDHLNO-UQBPGWFLSA-N 451.571 2.365 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H]1CCO[C@@H](C)C1 1749158310 GRWBYBFVTWXCCH-OTWHNJEPSA-N 455.625 2.219 30 10 JEEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C(C)=O)cc2F)CC1 1749456364 CRMPEWQEWWFHKQ-HXUWFJFHSA-N 470.549 2.490 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nc(C2CC2)cs1 1749575441 RFJPARKDDQJLEO-KRWDZBQOSA-N 464.617 2.172 30 10 JEEE C=CCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1749607976 AJIXIGZHKSVUBX-HNNXBMFYSA-N 469.409 2.236 30 10 JEEE C=CCn1c(-c2cc(OC)ccc2Br)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1749609547 UKNOPMNIZWIBCK-UHFFFAOYSA-N 472.347 2.489 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](CNC(=O)c2ccccc2)C1 1749669555 IQHTUJDKBQHCJL-TZIWHRDSSA-N 466.586 2.121 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C(C)(C)O)cc2)C1 1749713635 VXFDXXHTPKBQQU-ICSRJNTNSA-N 460.600 2.237 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1749727655 ZNNISKCVAPAIRN-QFIPXVFZSA-N 472.659 2.151 30 10 JEEE CC(=O)N1CCCN(c2nnc(-c3cccc(Cl)c3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1749828284 AEDJHQDHBYSYCO-XDOYNYLZSA-N 483.960 2.184 30 10 JEEE CC(C)(C)OC(=O)NCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1750506989 HEQRYTLJCHUGPD-SFHVURJKSA-N 498.563 2.091 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CCc1cccc(C(=O)NC)c1 1760123102 YERXOQBJLNVFSL-MRXNPFEDSA-N 450.568 2.330 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2Cc2ncc(CC)s2)c1 1760128229 CBDXHIGDMIDSNX-GOSISDBHSA-N 463.567 2.353 30 10 JEEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1760147634 CNRYAYKZWSBMCK-UHFFFAOYSA-N 490.406 2.034 30 10 JEEE C#CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1CCN1CCCS1(=O)=O 1760167654 XFSDJLYSVKSTDF-UHFFFAOYSA-N 452.378 2.121 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H](OC)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1760190669 TZWWEVQKEAZTAG-FGZHOGPDSA-N 465.579 2.278 30 10 JEEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@](C)(O)CCOC 1760205877 LXVUZOQNUFDAOC-DEOSSOPVSA-N 459.591 2.253 30 10 JEEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1oc(CC)nc1C 1760250498 ZZYDZZOHSHTABX-UHFFFAOYSA-N 464.574 2.445 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)c2ccc(OC)cc2)CC1 1760268828 QEHOESOIWIEMPT-NRFANRHFSA-N 478.597 2.181 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H](c2ccccc2)N(C)C)CC1 1760269312 FBVZJEUUSOYODV-VXKWHMMOSA-N 450.587 2.051 30 10 JEEE C#CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1760281901 RSHDBHKLQXRABK-QFBILLFUSA-N 462.597 2.170 30 10 JEEE C=C(Cl)Cn1c(C2CC2)nnc1N1C[C@@H]2[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1760373415 RIYRXNMHIHOLAJ-QLFBSQMISA-N 457.984 2.035 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc(C(=O)Nc2ccccn2)n1CCN1CCCS1(=O)=O 1760482389 VPYSNVPFKNEOQU-UHFFFAOYSA-N 481.582 2.154 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC(NC(=O)c2ccccc2C)CC1 1760520247 HKGSRXGJBMPJHV-UHFFFAOYSA-N 459.554 2.350 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCSC[C@@H]1C 1760521250 NOAGLYBSYWRVBQ-INIZCTEOSA-N 467.599 2.480 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(CCOc2ccccc2Cl)CC1 1760523061 LBTMIEQEAMKDGX-UHFFFAOYSA-N 469.977 2.430 30 10 JEEE C=CCOc1ccc(Cn2c(Cc3ccncc3)nnc2N(C)CC(=O)N2CCOCC2)cc1 1760531653 VWUJRTOQBYXXMC-UHFFFAOYSA-N 462.554 2.172 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(CC(=O)NC)CC1 1760555110 XANUCAJNACHIOP-UHFFFAOYSA-N 480.034 2.476 30 10 JEEE CC(=O)N1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCN/C(O)=C2\N=CC=CC2=O)[C@H](C)C1 1760613279 VWOINCUGCJQYPI-PXFSWQRTSA-N 497.987 2.106 30 10 JEEE C[C@H](C#N)CN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CC1CCN(CCN(C)C)CC1 1760692579 BRFJKCCYZUSMCI-GOSISDBHSA-N 477.617 2.463 30 10 JEEE COc1ccc(CCc2nnc(N3CCC(C#N)CC3)n2CC2(C(N)=O)CCOCC2)cc1 1768572227 CMJGJQHSTTWCIO-UHFFFAOYSA-N 452.559 2.094 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1772660323 ZMMQJVPVUCSFEY-GOSISDBHSA-N 492.005 2.389 30 10 JEEE COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CCCO)cc(OC)c1OC 1862635396 JBRGFUQDAKCVNA-FQEVSTJZSA-N 471.462 2.402 30 10 JEEE N#Cc1cccc(NC(=O)CNC(=O)C[C@@H](c2cccc(Br)c2)c2nn[nH]n2)c1 1868164247 DDOSSXPAMOBVIF-INIZCTEOSA-N 454.288 2.111 30 10 JEEE C=CCN(CC=C)C(=O)[C@@H](C)NC(=O)c1cc(-c2cccs2)n([C@H]2CCS(=O)(=O)C2)n1 1868771823 UYKPMYXUTRHXBS-CVEARBPZSA-N 462.597 2.290 30 10 JEEE CC(=O)Nc1cccc(-n2nnc(C#N)c2NC(=O)c2ccc3c(c2)C(=O)N(C(C)C)C3=O)c1 1870143148 ZCYBLOIONOAXTE-UHFFFAOYSA-N 457.450 2.354 30 10 JEEE CCOC(=O)c1sc([C@@H](C#N)C(=O)CN2CCN(C(=O)OCC)CC2)nc1C(F)(F)F 1872798986 BMIKYJJYLWNVQK-NSHDSACASA-N 462.450 2.289 30 10 JEEE C=CCN1C[C@@H](C(=O)N2CCC(C(=O)NC[C@@H](c3ccccc3)N3CCCC3)CC2)CC1=O 1872917529 DGCXFTZLQJXNPH-GOTSBHOMSA-N 452.599 2.213 30 10 JEEE C=CCn1c(C(=O)Nc2ccc(OCC)c(OCC)c2)cc2c(N(CCO)CCO)ncnc21 1873646161 GRKJJLGPXPTAMC-UHFFFAOYSA-N 469.542 2.458 30 10 JEEE COCCc1nnc(SCC(=O)NCc2ccccc2)n1/N=C/c1ccc(C(=O)O)cc1 1874474677 ODFXHTOJLIULMR-ZVHZXABRSA-N 453.524 2.456 30 10 JEEE N#Cc1nccnc1OCC1CCN(C(=O)c2cccn(Cc3cccc([N+](=O)[O-])c3)c2=O)CC1 1892016688 IOIPLKCUCVULJJ-UHFFFAOYSA-N 474.477 2.398 30 10 JEEE C=CCC1(C(=O)N2CC[C@](NC(=O)OC(C)(C)C)(C(=O)O)C2)CN(C(=O)OC(C)(C)C)C1 2059556498 DVFUJRZPOUPELZ-JOCHJYFZSA-N 453.536 2.380 30 10 JEEE Cc1cnc(N2C[C@@H]3CN(C(=O)OC(C)(C)C)[C@@H](CO)[C@H]3C2)c(B2OC(C)(C)C(C)(C)O2)c1 2241058280 YIVNXSHIBSCPDY-AOIWGVFYSA-N 459.396 2.353 30 10 JEEE CC1(C)OB(c2cc(C(=O)N[C@H]3CCCN(C(=O)OCc4ccccc4)C3)[nH]n2)OC1(C)C 2247827262 GOJHDDNFDUZPLF-KRWDZBQOSA-N 454.336 2.240 30 10 JEEE CC(C)(C)OC(=O)NCC[S@@](C)(=O)=NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2247918314 IZPLUWCDQPNNOI-SSEXGKCCSA-N 459.399 2.205 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1COCCN1C(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2255533168 RCSYYCQIGMZOSB-CQSZACIVSA-N 452.382 2.413 30 10 JEEE Cn1nc(C(=O)NCC(C)(C)NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2255655686 PNYXONGCVDFNIU-UHFFFAOYSA-N 456.780 2.406 30 10 JEEE CC(C)(C)OC(=O)NCc1n[nH]c(=NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)o1 2255704813 MUCNSYQPRZEMGS-UHFFFAOYSA-N 450.326 2.129 30 10 JEEE CC1(C)OB(c2c[nH]c(C(=O)N[C@@H]3CCOC[C@H]3NC(=O)OCc3ccccc3)c2)OC1(C)C 2255709498 XBBRNYUKVHIFIK-UYAOXDASSA-N 469.347 2.128 30 10 JEEE CC(C)(C)OC(=O)NCC[S@@](C)(=O)=NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2255754318 XVIKUAUIZIRFFP-SSEXGKCCSA-N 494.466 2.359 30 10 JEEE CC(C)[C@H](CNC(=O)OC(C)(C)C)CC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2256614769 PQPUWFPMGVCWMI-ZDUSSCGKSA-N 454.402 2.385 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CC[C@H](CC(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2256618550 RDCFDGCADDBANE-STQMWFEESA-N 452.386 2.281 30 10 JEEE CC(C)[C@@](C)(CNC(=O)OC(C)(C)C)NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2267182570 AIUZYRLSKCOJQW-JOCHJYFZSA-N 450.389 2.389 30 10 JEEE CC(C)(C)OC(=O)NC[C@]12CO[C@](C(=O)Nc3ncc(B4OC(C)(C)C(C)(C)O4)s3)(C1)C2 2268713933 DNBBCJHWDDMXEC-OYRHEFFESA-N 465.381 2.455 30 10 JEEE Cc1c(C(=O)NC[C@H]2C[C@H](C)N(C(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281795543 QCSJPKGVIKUCFC-GOEBONIOSA-N 462.400 2.403 30 10 JEEE Cn1cc(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 2282035780 ZNBLXAAHUUHYNW-WBVHZDCISA-N 460.384 2.191 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2CN(C(=O)c3ncncc3B3OC(C)(C)C(C)(C)O3)C[C@@]2(C)C1 2282188234 SQEHAOSULBDWPQ-CMJOXMDJSA-N 458.368 2.105 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](O)CN1C(=O)c1c(F)cccc1B1OC(C)(C)C(C)(C)O1 2282474848 GVQOAIQTDBEGHF-GJZGRUSLSA-N 464.343 2.225 30 10 JEEE CN(CCCCCNC(=O)OC(C)(C)C)S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282490142 IXZRJBVKACCUNK-UHFFFAOYSA-N 486.444 2.035 30 10 JEEE CC1(C)OB(c2ccc(S(=O)(=O)N3CC[C@@](C)(NC(=O)C(F)(F)F)C3)c(Cl)c2)OC1(C)C 2282499573 DQYGLGVNGMVGNU-GOSISDBHSA-N 496.744 2.471 30 10 JEEE C[C@@H]1CC[C@H](NC(=O)C(F)(F)F)CN1C(=O)c1nn(C)c(Cl)c1B1OC(C)(C)C(C)(C)O1 2282547282 ZHXAKUNALWBGRK-MNOVXSKESA-N 478.708 2.044 30 10 JEEE Cn1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)OC(C)(C)C)C3)nc1B1OC(C)(C)C(C)(C)O1 2282554614 GORKTOKMAGVOIY-MUJYYYPQSA-N 460.384 2.380 30 10 JEEE CCc1nn(C)c(C(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)c1B1OC(C)(C)C(C)(C)O1 2282558412 IKHHDJRUHWDLAC-UHFFFAOYSA-N 462.400 2.411 30 10 JEEE C[C@H]1CCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C[C@H]1NC(=O)C(F)(F)F 2282861326 MNTWNNXNVDVCJN-XJKSGUPXSA-N 476.326 2.063 30 10 JEEE CC(C)(C)OC(=O)N1CC(NC(=O)c2cccc(Cl)c2B2OC(C)(C)C(C)(C)O2)(C(=O)O)C1 2283119659 CSYURMLLNWTLDV-UHFFFAOYSA-N 480.754 2.443 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1CCc2ccc(B3OC(C)(C)C(C)(C)O3)cc21 2283975379 QRTZLGWHVIYZDW-PKOBYXMFSA-N 458.364 2.245 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCOCC[C@@H]1C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2284022581 LIRXFKGQNZEXFO-HOTGVXAUSA-N 481.424 2.378 30 10 JEEE C[C@@H](NC(=O)[C@]1(NC(=O)OC(C)(C)C)C[C@@H](CO)C1)c1nscc1B1OC(C)(C)C(C)(C)O1 2284056897 QGNNJBJGRAFAIA-SOHPYSCWSA-N 481.424 2.285 30 10 JEEE Cc1cc(CNC(=O)[C@H](CN(C)C)NC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2289577455 SPUCVXBZMFHKLF-IBGZPJMESA-N 461.412 2.365 30 10 JEEE CCOc1c(Br)cc(C=Nn2c(CNC(C)=O)nnc2SCCO)cc1OC 2330794605 YAQZGHWELVBPFP-UHFFFAOYSA-N 472.365 2.051 30 10 JEEE CC(C)(C)OC(=O)N1CC(C(=O)N2CC[C@H]3C[C@@]3(B3OC(C)(C)C(C)(C)O3)C2)(S(C)(=O)=O)C1 2379797119 LDNBRTKGFUIRLB-YCRPNKLZSA-N 484.424 2.105 30 10 JEEE C=CCNC(=O)CN1CCN(C(=O)c2cccc(S(=O)(=O)Nc3cccc(Cl)c3)c2)CC1 27165423 JEWYZBWHSTXOSB-UHFFFAOYSA-N 476.986 2.201 30 10 JEEE CN1CCN(C(=O)CSc2nnc(N/N=C/c3ccc(COc4ccc(F)cc4)o3)[nH]2)CC1 253577894 XPZHDIYBJRKUCX-FSJBWODESA-N 473.534 2.428 30 10 JEEE C[C@@H](NC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1-c1ccc(C(N)=O)cc1)c1ccccc1 522536532 CDAZYDVTPJCYFW-GOSISDBHSA-N 494.576 2.378 30 10 JEEE COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1[C@H](C)c1cccs1 522627936 GDHLSYHHTSTEKE-HZPDHXFCSA-N 453.589 2.235 30 10 JEEE N#CC(C(=O)Nc1ccc(N2CCOCC2)cc1)=c1sc(=Cc2ccccc2)c(=O)n1C1CC1 839371964 FEOAEHDKAAODFW-UHFFFAOYSA-N 472.570 2.223 30 10 JEEE CC(=NNc1nnc(SCC(=O)NCc2ccc(F)cc2)n1N)c1ccc2c(c1)OCO2 1084171210 CXRUIHMGLSWDPW-UHFFFAOYSA-N 457.491 2.104 30 10 JEEE COc1ccc(OC)c(NC(=O)CSc2nnc(NN=Cc3cccc([N+](=O)[O-])c3)n2N)c1 1084268884 DJEQQWDPNBPJES-UHFFFAOYSA-N 472.487 2.094 30 10 JEEE C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)c1nc(C(F)(F)F)no1 1276382541 HZQVAZJGHLVLAO-NSHDSACASA-N 457.434 2.238 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1286271220 RASPJUCMSMNXDJ-PKOBYXMFSA-N 458.588 2.029 30 10 JEEE C#CCCCCn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1286319224 HJCFAJBYIBXHSV-UHFFFAOYSA-N 454.962 2.329 30 10 JEEE C#CCCCCn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1286323095 FQZNZPIFZNGDFC-YMPZKCBVSA-N 456.635 2.355 30 10 JEEE C#CCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1286345158 GJTXVBXTQAHFOL-SFHVURJKSA-N 473.599 2.238 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1286390702 BDQZXFNENQJBQA-QYZOEREBSA-N 495.646 2.402 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1Cc1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1286395176 RDZKGQGLLXWCRY-LJQANCHMSA-N 469.567 2.157 30 10 JEEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1286450479 SPBWJAAJFUMPCI-ROUUACIJSA-N 484.605 2.075 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC(F)(F)C1 1286522585 LSYHYCNWGDXVOD-JTDSTZFVSA-N 457.547 2.039 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1286563444 CVXZWYSRAIOQAA-NQIIRXRSSA-N 454.579 2.036 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N(C)C[C@@H](c1cccs1)N1CCOCC1 1286785184 GXMSMWGQAAHGMS-SFHVURJKSA-N 455.588 2.147 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](C)C[C@@H](C)C1 1286791535 VCSSOOVXTBGRSQ-KSZLIROESA-N 462.595 2.371 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1286821593 PVRIPLLWUVXZNX-LJQANCHMSA-N 490.626 2.253 30 10 JEEE CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@@H](C(C)C)N1CCCC1 1297271005 HKMPGORSYDXKHX-NRFANRHFSA-N 469.638 2.175 30 10 JEEE CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1297709200 HMNAKFWGLIIKMP-NRFANRHFSA-N 466.567 2.148 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOc1cccc(C(F)(F)F)n1 1300310067 WMLYTVPRSZANFA-KBPBESRZSA-N 457.478 2.131 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2OCCC2(C)C)c1 1300334726 RPNRIRLAKYWKLY-AZUAARDMSA-N 485.610 2.052 30 10 JEEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 1300336926 QFWOPWQLKRHRNO-SFTDATJTSA-N 471.650 2.037 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CC[C@@H]1CCO[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1300482219 DREUJXCEICQHBZ-XARGGIHNSA-N 494.658 2.151 30 10 JEEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CC(C)(C)CC=C)[C@H]1CCS(=O)(=O)C1 1300483580 LZPYYOUHDWXITA-PGRDOPGGSA-N 450.605 2.159 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(Cl)c3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC1 1300689378 UYTGPWNBOMKCGT-JOCHJYFZSA-N 484.048 2.296 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](CC)c3ccccc3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1300716024 HWOQCCFDJGDZOQ-KNQAVFIVSA-N 483.638 2.221 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1n[nH]c(C)n1 1300805410 BUNNRWIWSSWQCB-UZUQRXQVSA-N 470.578 2.248 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(Cc2ccccc2)CC1 1300989657 DSTFOEXHHWQWTD-QFIPXVFZSA-N 473.643 2.485 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1oc2ccccc2c1OC 1301297663 SJZLWOFPCFLBLF-SFHVURJKSA-N 461.544 2.036 30 10 JEEE C=CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1301458683 FBDXLTPYIKAYMS-LJQANCHMSA-N 484.605 2.368 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@H]2CCS(=O)(=O)C2)C1 1301566889 SWKBSSGOBRKMSV-APWZRJJASA-N 450.536 2.212 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(CC2CCCCC2)CC1 1301589606 UNYMXAFCIZWPMR-HXUWFJFHSA-N 451.637 2.085 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCCO3)n2C[C@]2(O)CCSC2)c1 1358901997 CFURCCBAQCPKIT-WMZHIEFXSA-N 455.584 2.444 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Br)n2CCCNC(C)=O)CC1 1359043581 ZTLBONVLOVYNFS-UHFFFAOYSA-N 487.402 2.200 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@]2(C)COCCO2)CC1 1359047133 SHTZKABPXKGONY-SANMLTNESA-N 481.597 2.245 30 10 JEEE C=C(Br)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCO[C@H](C(=O)NC)C1 1359082166 AZPJSODWTOHVFH-KRWDZBQOSA-N 473.331 2.460 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1359100804 GOERKWPTRGYPRI-REWPJTCUSA-N 488.658 2.495 30 10 JEEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1359284311 GSVHDQGLQAVJJZ-UHFFFAOYSA-N 453.572 2.268 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@H](NC(C)=O)C1 1359292230 KUUWUYRIGVUICE-QUCCMNQESA-N 454.575 2.442 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC(Oc2c(OC)cccc2OC)CC1 1359300753 JKOWOUHMLUJGLE-QGZVFWFLSA-N 471.558 2.149 30 10 JEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1359302411 GXNRGRJXPIWFOE-QGZVFWFLSA-N 475.619 2.382 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@@]2(O)CCOC2)C1 1359320047 KWXSXWWXUMPPDJ-DVECYGJZSA-N 477.606 2.325 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCOC[C@@H]2OC)C1 1359324222 GLBJLEDWUPYAKQ-KSZLIROESA-N 461.588 2.102 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H]1CC[C@@H](SCC)C1 1359326925 NEGNHIGKQGEZSA-IAGOWNOFSA-N 455.650 2.225 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](C)[C@@H](C)C1 1359332598 BPSKXRONWBHWRB-BZSNNMDCSA-N 483.635 2.280 30 10 JEEE CC(C)(C)[S@](=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1359588976 CCYVPEYAEQWZHB-SQQYVQODSA-N 470.599 2.226 30 10 JEEE CC(C)COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1360043290 GXDSLGGDPAVGQV-IBGZPJMESA-N 486.598 2.166 30 10 JEEE C=CCn1c(S)nc2cc(C(=O)N3Cc4cc(O)ccc4C[C@@H]3C(=O)OC)ccc2c1=O 1457236263 KBVJGURLKIPQBQ-LJQANCHMSA-N 451.504 2.317 30 10 JEEE COCCN(CCC#N)c1nnc(-c2ccccc2Cl)n1CCN1CCCS1(=O)=O 1504884997 HMTBZDDXCTVCHZ-UHFFFAOYSA-N 452.968 2.000 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCN1C[C@H](C)O[C@H](C)C1 1507529232 QQOZAEMXVJHMHN-QRVBRYPASA-N 473.647 2.195 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CCN(C)CC(F)(F)F)c1 1507548743 VMJJOALHTUJGKU-UHFFFAOYSA-N 491.518 2.064 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CCCN2C[C@H](C)O[C@H](C)C2)c1 1507549383 GOXDEMFASIGZFQ-BGYRXZFFSA-N 490.612 2.234 30 10 JEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@](C)(O)c1cccs1 1507606807 XVWPVQUYWOXXHJ-NRFANRHFSA-N 459.597 2.234 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CCc1cccc(F)c1F)[C@@H]1CCS(=O)(=O)C1 1507633029 ADJAGERXOGEGTG-LJQANCHMSA-N 471.533 2.412 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccccc1)N1CCCC1 1507660720 YJELNLNRMDHAEI-IRLDBZIGSA-N 468.627 2.188 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1C[C@H]1CCOC[C@H]1OC 1507704390 ZMUJDEYKDGHUCX-CRAIPNDOSA-N 466.380 2.184 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccnc(SCC)c2)CC1 1507733276 SBDCSSBFGJAKTL-FPOVZHCZSA-N 456.616 2.313 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2Cc2cnn(C)c2C)CC1 1507735141 LVMQWWQIQPTVLQ-UHFFFAOYSA-N 491.596 2.408 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CC2(CCOC)CCCC2)CC1 1507737865 GLQONLRZWKOUDT-UHFFFAOYSA-N 453.591 2.241 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCO[C@H]1CCOC1 1507765111 YCCUIKFNKIIBFG-GBXCKJPGSA-N 487.626 2.383 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)CCC1CC1 1507800915 ZMLDWAGENJTYHW-AQNXPRMDSA-N 467.636 2.219 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1507824504 AOCXKNGAEYPBEK-LJQANCHMSA-N 459.616 2.473 30 10 JEEE C=C(C)COCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCN(C)C(=O)C1 1507843774 TYKCWTYVLYWAJY-UHFFFAOYSA-N 465.558 2.107 30 10 JEEE C=C1CCN(c2nnc(-c3ccccc3OC)n2CCNS(=O)(=O)Cc2ccon2)CC1 1507880262 XHLMTLDDLGRPMR-UHFFFAOYSA-N 458.544 2.218 30 10 JEEE CCS(=O)(=O)N(C)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)OC)CC1 1516816068 HWALXBOCQKDOBJ-UHFFFAOYSA-N 460.604 2.492 30 10 JEEE CNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCOc2ncccc2F)CC1 1517528041 GWVABZOLGBCFHK-UHFFFAOYSA-N 479.516 2.304 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1538976297 KAEWBOUJUAMVBF-ZWOKBUDYSA-N 459.513 2.041 30 10 JEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN([C@@H](C)c2nccs2)CC1 1539053212 NAXKBUVKPMEMIA-SJORKVTESA-N 465.649 2.032 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1nccc(C(F)F)n1 1539265284 FDKQOSMQMYSALG-QGZVFWFLSA-N 487.511 2.435 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC(=O)N1CCOCC1 1539296660 SINOVLXIUWFZLM-SFHVURJKSA-N 455.946 2.393 30 10 JEEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CC[C@]2(CCOC2)O1 1539334344 ZSDHAGLSBOVZTM-WZONZLPQSA-N 453.568 2.071 30 10 JEEE C#CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CC#C)CC#CC 1539517347 MJPZTJZXLGSVFD-IBGZPJMESA-N 457.600 2.416 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1CCN(CC(F)(F)F)CC1 1539539674 WYKGCYRGBPLVLW-DNVCBOLYSA-N 476.569 2.155 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(CC(=O)N(C)C)CC1 1539613057 TYGSOPCFLDKAFO-CTNGQTDRSA-N 458.607 2.190 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(CC(=O)N(C)C)CC1 1539636219 JZYDZJDOCIHIMP-MHECFPHRSA-N 488.583 2.339 30 10 JEEE C=CCCOCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN2CCOC[C@@H]2C1 1540021031 OZOBGEJORFBWBN-INIZCTEOSA-N 451.369 2.149 30 10 JEEE Cc1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCc2ccc(S(C)(=O)=O)cc2)n1 1542633059 ANKBZQQZEKYWJY-SFHVURJKSA-N 452.540 2.024 30 10 JEEE CCC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1)OC 1546908465 HKGGVHAVWSKJAT-RTWAWAEBSA-N 452.559 2.459 30 10 JEEE C#CCN1CCC(NC(=O)NCc2ccccc2CN2C(=O)NC3(CCCCC3)C2=O)CC1 1563986388 JWPDQGFYXNFBGT-UHFFFAOYSA-N 451.571 2.338 30 10 JEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCn1cc([C@@H]2CCOC2)cn1 1587989903 QAIORYSCPXEHDU-UYAOXDASSA-N 485.589 2.057 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H](OC)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1588044976 DQHJHRXXCLGRNP-WIYYLYMNSA-N 488.610 2.404 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@]1(O)CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1588064431 IBNFJBRFAUMOPX-MFSJNOQSSA-N 472.611 2.055 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1CCCN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1588064844 QFCHVUYDCSCKRC-HXUWFJFHSA-N 461.657 2.433 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(F)ccc2Br)n1CC1(C(N)=O)CCOCC1 1588093799 QNLZPQUTGLWQTK-UHFFFAOYSA-N 474.334 2.202 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(OC)ccc2Br)n1CCCn1ccnn1 1588098899 CGEVAJCOVHNRIH-UHFFFAOYSA-N 454.332 2.471 30 10 JEEE C#CCN(CC#CC)c1nnc(COc2ccc(Br)cc2)n1Cc1nncn1C 1588250882 KGYKEBZFRWCHSV-UHFFFAOYSA-N 454.332 2.259 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@H]1CCOC[C@H]1OC 1588581256 LZZCKNNIYMSUDQ-DENIHFKCSA-N 450.543 2.473 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1CC1(S(C)(=O)=O)CCCC1 1589142777 NEFLPJYALZJZNG-OAQYLSRUSA-N 456.572 2.275 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1589215631 CJJPBZHSWXOCCR-WHSLLNHNSA-N 451.593 2.086 30 10 JEEE C=C(C)Cn1c(N2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)nnc1[C@@]1(OCC)CCOC1 1593684299 UPZIEHHLXQGCGL-GBXCKJPGSA-N 460.623 2.029 30 10 JEEE C=CCCOCCn1c(-c2cccn2C)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1594803229 POGXBBYYARFMND-FQEVSTJZSA-N 455.607 2.009 30 10 JEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1594813384 RRAWMKVPUQIPFQ-AWEZNQCLSA-N 486.520 2.144 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1595536712 GBCTYKVOXTZTDK-SJLPKXTDSA-N 452.515 2.142 30 10 JEEE C=CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1595878515 PIEZSHYKKBWIFL-SFHVURJKSA-N 450.609 2.013 30 10 JEEE Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 1608584098 BRFQHXVMMKJNDR-CYBMUJFWSA-N 458.569 2.261 30 10 JEEE C[C@H](Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@H](C#N)C1)c1nccs1 1611498844 HPFWCTBMBCROLK-NVXWUHKLSA-N 487.611 2.184 30 10 JEEE N#CCOc1ccc(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)cc1 1637001687 CSTAEWSBIANBHF-UHFFFAOYSA-N 451.907 2.457 30 10 JEEE Cc1nc(SCC(=O)NC[C@H](NS(=O)(=O)N(C)C)C2CCCC2)c(C#N)c(C)c1C 1642454335 HFDZBPTXEWDVQO-SFHVURJKSA-N 453.634 2.042 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCSCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1689989238 CHKIHRGWQYNJQI-HUUCEWRRSA-N 466.551 2.094 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCOCC1CC1 1690020162 ZWHLFCMGDFLQBW-HXUWFJFHSA-N 457.575 2.476 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCOC2)n1C[C@H]1CC(=O)N(CCOC)C1 1690090116 WOZSLVGISRKLMB-SFTDATJTSA-N 469.561 2.446 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccccc2OC)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1690098987 YVGVITNIASNXLU-CTNGQTDRSA-N 487.626 2.244 30 10 JEEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1690234983 TVCABMGIACYQMX-HZMVEIRTSA-N 457.369 2.295 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](Oc2ccccc2)C1 1690345739 CDAABWOCTSWHMA-OALUTQOASA-N 482.006 2.411 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1690665984 VUJZNXIIKNZWJI-UHFFFAOYSA-N 498.481 2.041 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCC[C@H](c2nc(C)no2)C1 1690672999 KNDWSYBQLVYCFP-SFHVURJKSA-N 451.531 2.255 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC[C@H](Oc3ncccc3F)C2)nnc1[C@]1(OC(C)C)CCOC1 1690676750 CCODAWGSCHHPLM-UUOWRZLLSA-N 488.564 2.203 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1690717873 SNWRILCHETUTOA-PKOBYXMFSA-N 486.598 2.176 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(C(C)(C)C)CC1 1690720803 SQLYYSONMNLLEZ-UHFFFAOYSA-N 475.615 2.238 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CC[C@@H](Cc2ccc(F)cc2)C1 1690722808 WLLROBBHEGGWHY-SFHVURJKSA-N 458.563 2.488 30 10 JEEE CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCN2S(C)(=O)=O)C[C@H](C)O1 1694930816 DZTYPNVMGFFPKT-PWIZWCRZSA-N 458.588 2.244 30 10 JEEE CCN(CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1)C(C)C 1695748142 HSCPRWGKQYBDJV-HXUWFJFHSA-N 476.589 2.079 30 10 JEEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H](c2ccco2)N(CC)CC)CCOC1 1696086590 GXPDRQJJERJBOQ-YCRNBWNJSA-N 458.563 2.335 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(C(N)=O)CCCC1 1705620166 MRKJHOSSHPINOO-GOSISDBHSA-N 473.574 2.005 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc([C@@H](C)O)cc2)CC1 1705647556 GPBQEZFFTDPAKK-XMSQKQJNSA-N 451.571 2.240 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2Cc2nccc(C(F)F)n2)CC1 1705647591 HKSKORJUKQPILV-QGZVFWFLSA-N 459.501 2.261 30 10 JEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1705805296 DKKAOCNRZSAVQM-OALUTQOASA-N 493.634 2.118 30 10 JEEE C=CCCCCn1c(COc2cccc(C)c2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1705808923 DRDRCSTWJBPJPJ-UHFFFAOYSA-N 496.612 2.029 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC(CC(=O)N(C)C)CC1 1705895440 HEVLGPOCQGEBEU-UHFFFAOYSA-N 476.585 2.332 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCN(C(C)=O)C[C@H]1C 1705897356 LGGUVQHDFQLZTL-MSOLQXFVSA-N 470.574 2.176 30 10 JEEE CC(C)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2([S@](C)=O)CCC2)CC1=O 1706514562 BREBYXWDMLGTFA-UMSFTDKQSA-N 484.626 2.335 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@H]1CC(=O)N(CCOC)C1 1722294889 SVOODMJMAOYCCZ-RBUKOAKNSA-N 491.596 2.018 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCO[C@@H](C)C2)c1 1722307134 YYGOVDSUIPLNPT-ICSRJNTNSA-N 464.570 2.385 30 10 JEEE C#CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(CCOC)[C@@H](C)C1 1722314525 OTKIZWUKDYOLKQ-IBGZPJMESA-N 463.586 2.152 30 10 JEEE C#CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@]2(CCOC2)C1 1722317599 UHAUZMZQKZNAPM-DVECYGJZSA-N 475.590 2.386 30 10 JEEE C#CCN(c1nnc(-c2ccc(Br)s2)n1Cc1ccn(C)n1)[C@@H]1CCS(=O)(=O)C1 1722359179 IVULZRMTCIMBSS-CQSZACIVSA-N 495.428 2.178 30 10 JEEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1cc(Br)ccc1F 1722401816 BNWQXBPAMFCJGO-ZDUSSCGKSA-N 472.384 2.492 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1c(C)nn(-c2ccccc2)c1C 1722412146 WBZMOULRQABMJE-LJQANCHMSA-N 452.584 2.491 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(C)nc3ccccc23)n1CC1(C(N)=O)CCOCC1 1722419660 BKGZOVGLVFCOJI-UHFFFAOYSA-N 462.554 2.170 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@H]2CC(F)(F)CO2)CC1 1722432670 CAQJFIRTXUNMIW-QGZVFWFLSA-N 477.512 2.150 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2nnc(C)s2)CC1 1722443598 XDVJFRSCUPYBFL-UHFFFAOYSA-N 460.567 2.185 30 10 JEEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1722453626 AFCDKXVJBXYZJY-OAQYLSRUSA-N 469.615 2.436 30 10 JEEE C=C(Br)Cn1c(-c2cccn2C)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1722483297 ITYHXCRIMRIULR-HNAYVOBHSA-N 476.423 2.181 30 10 JEEE C=CCN(c1nnc(COc2ccc(Br)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1)C1CC1 1722653483 DSCBXHNUSHHXRO-FQEVSTJZSA-N 497.415 2.324 30 10 JEEE C=CCN(CC=C)c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1722664992 JDPUUGGAGZBZMH-JOCHJYFZSA-N 450.587 2.307 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CC[C@](C)(C(=O)NC)C1 1722693843 BPPKAWSLGYCWPL-WNSKOXEYSA-N 456.616 2.396 30 10 JEEE C=CCNC(=O)Cn1c(N2CC=C(COC)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1722703646 DSCPXKLEMRMBQP-HDICACEKSA-N 460.579 2.134 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(c3ccccn3)CCC2)C1 1722710007 BVNNTEUIORXUAF-MSOLQXFVSA-N 460.604 2.187 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CC[C@](O)(c2ccc(C)cc2)C1 1722725533 MVZAUDVVWYNUDO-HSZRJFAPSA-N 455.584 2.291 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCC(=O)N1CCOCC1 1740552271 NRYXQLHAILZUBP-SFHVURJKSA-N 474.606 2.099 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OCC)CCOC3)n2Cc2cc(C)nn2C)c1 1740561363 CXRLYYROYMBXLO-VWLOTQADSA-N 477.569 2.077 30 10 JEEE C#CCN(c1nnc(COCC)n1Cc1nc2c(s1)C[C@@H](C)CC2)[C@@H]1CCS(=O)(=O)C1 1740629082 ZYSCOMPYUJXUIN-JKSUJKDBSA-N 463.629 2.071 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1740633720 QWQBWYGPMKYYPQ-FGZHOGPDSA-N 462.579 2.094 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@](C)(O)C(C)C 1740647709 YWFIKXRMLNWRFG-HSZRJFAPSA-N 456.616 2.417 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@](C)(O)C(C)C 1740647710 YWFIKXRMLNWRFG-QHCPKHFHSA-N 456.616 2.417 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCCc2nc(C)no2)CC1 1740701691 ONUHUBRUCXNKLB-UHFFFAOYSA-N 493.568 2.252 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@H]2CCOC[C@@H]2OC)CC1 1740707408 AZXONHGIUUVDQL-KNQAVFIVSA-N 485.560 2.014 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(F)(F)CNC(=O)OC(C)(C)C 1740731165 QFJNDYHOFWCQND-MGPUTAFESA-N 487.573 2.332 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(C)(C)C(=O)NC 1740769663 QEIDFAWOGRZLJS-UHFFFAOYSA-N 462.620 2.370 30 10 JEEE C=CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1)C1CC1 1740908591 DKAAGZIZFTUCJA-MRXNPFEDSA-N 461.588 2.399 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nc2cccc(Cl)c2n1C 1740941433 KPEXXOITLHCFKB-HNNXBMFYSA-N 479.006 2.407 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1740953624 MIKCCTXEBWNIIN-HNNXBMFYSA-N 492.422 2.469 30 10 JEEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@H](C(C)C)C1 1740959426 VDHGWGHJYHBQJA-KRWDZBQOSA-N 459.620 2.413 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC(=O)N2CCOCC2)C1 1740983424 IKVRZYIVMPCZST-FQEVSTJZSA-N 455.559 2.114 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1740990119 JEAXGXIWMIWDAH-UHFFFAOYSA-N 481.582 2.199 30 10 JEEE CCc1ccccc1OCc1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@H]1CCCN1S(C)(=O)=O 1744390279 CGUNECGXGODSPP-XMSQKQJNSA-N 476.578 2.285 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@](C)(O)[C@H](C)CC)c1 1748692937 SPQBNDMGLSIFDK-LNZPYGSCSA-N 452.559 2.083 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@H]1CCN(CCC)C1)[C@@H]1CCS(=O)(=O)C1 1748808299 JKXRMNNXMGHUJF-PZJWPPBQSA-N 471.627 2.312 30 10 JEEE C#CCN(c1nnc(-c2ccccc2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1748809934 RBJJZZDZJWWOBB-VWPQPMDRSA-N 485.654 2.460 30 10 JEEE C#CCN(c1nnc(-c2cc(-c3ccccc3)on2)n1CCC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1748815474 QNWSEIBROCUZBE-GOSISDBHSA-N 469.567 2.388 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2cn3ccccc3n2)n1CCS(C)(=O)=O 1748946272 CQKAVHFZMAAAPX-UHFFFAOYSA-N 466.542 2.340 30 10 JEEE C#CCN(CCOC)c1nnc(Cc2cccnc2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1748965357 QFVUVWZKBPXRDC-HXUWFJFHSA-N 461.570 2.018 30 10 JEEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1ccc(CC)o1 1749037577 FUOFBDFOTSPZSB-UYAOXDASSA-N 493.655 2.474 30 10 JEEE C#CCSCCn1c(N(C)[C@H]2CCS(=O)(=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1749047647 BFPNHZSSERPGJM-BBWFWOEESA-N 483.660 2.039 30 10 JEEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2cccc(F)c2)C1 1749212903 AUYDJPAKVYTYJB-APWZRJJASA-N 467.567 2.198 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1749268735 GIZVSTZABCPHGD-CFVMTHIKSA-N 460.000 2.282 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCc1ccccc1OC 1749269794 WNUXQNQGKPTHEB-SFHVURJKSA-N 469.995 2.051 30 10 JEEE C=CCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1749633855 QRINHQDCKRCSHA-MRXNPFEDSA-N 456.572 2.435 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC2(O)CCS(=O)(=O)CC2)C1 1749697610 LNJNGRJBFXRIMW-PXNSSMCTSA-N 494.589 2.278 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(Br)cc2)nnc1N1CC[C@H](OC)C1 1749740834 ZARDASQHFVITQF-KRWDZBQOSA-N 485.404 2.446 30 10 JEEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2scnc2C)CC1 1749875593 DYVWLSMRFHNCAQ-UHFFFAOYSA-N 451.556 2.405 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1760099424 GQLVAFWBNRLCHM-KOSHJBKYSA-N 472.590 2.031 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CCc1csc(CC)n1)[C@H]1CCS(=O)(=O)C1 1760189988 NDJVFRPGRVPRBR-IBGZPJMESA-N 470.624 2.152 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1C[C@H](C)COC)[C@@H]1CCS(=O)(=O)C1 1760191090 AHDJUFVSMPPLEP-FXAWDEMLSA-N 460.600 2.383 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCCS(C)(=O)=O)CC1 1760267540 PYXZPFOKBDCJCI-UHFFFAOYSA-N 481.981 2.138 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1760272269 DYYMLKMFLNUJAH-KRWDZBQOSA-N 450.572 2.094 30 10 JEEE C=C(Br)Cn1c(-c2cccc(C)n2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1760305423 FUWWPRCAYOPMFE-UHFFFAOYSA-N 469.409 2.465 30 10 JEEE C=C(C)CN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ccc(C(N)=O)nc1 1760338352 QURWENRMLPRYBD-UHFFFAOYSA-N 461.574 2.397 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(c2ncccc2F)CC1 1760514605 BBCWZMPOLSMHJN-UHFFFAOYSA-N 489.353 2.199 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CCN(CCOC)[C@@H](C)C1 1760516154 WKJPEAKUPUFULF-INIZCTEOSA-N 477.407 2.167 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCC(NC(=O)C2CC2)CC1 1760556454 DWKBVVKVCYBCQL-UHFFFAOYSA-N 463.629 2.026 30 10 JEEE COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)CC1 1769135377 AHTXAFITIVPYNP-GOSISDBHSA-N 497.600 2.367 30 10 JEEE N#CC1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCCN2CCOCC2)CC1 1770740383 FMVYWZACWPKRPT-UHFFFAOYSA-N 471.993 2.324 30 10 JEEE C=CCN(CC=C)C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CC(=O)N(c2ccc(C(=O)OCC)cc2)C1 1862178915 CFZQPVVPYBIVFT-CTNGQTDRSA-N 453.539 2.408 30 10 JEEE Cc1ccc(-n2nnc(C#N)c2NC(=O)CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1C 1870155554 STYOEQPAOMJSQW-UHFFFAOYSA-N 459.422 2.289 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)COc2nonc2C(=O)NCCCOCCCC)nc1C 1872706669 JLVWQJUOZYVXCG-UHFFFAOYSA-N 481.531 2.131 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCCN(CC(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)C1 2206613239 VOWSSSGNFJLBGE-KRWDZBQOSA-N 460.384 2.308 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NCC2(CCO)CN(C(=O)OC(C)(C)C)C2)C1 2255194965 ZEWVVIPKKHVBLF-UHFFFAOYSA-N 451.564 2.029 30 10 JEEE CC(C)(C)OC(=O)N1CCS(=O)(=NC(=O)c2occc2B2OC(C)(C)C(C)(C)O2)CC1 2255655711 PYJBBALLPCPCJM-UHFFFAOYSA-N 454.354 2.438 30 10 JEEE CC(C)(C)OC(=O)NCCN(CC(F)F)C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267282000 YYAGQKNNNDCKOQ-UHFFFAOYSA-N 456.299 2.008 30 10 JEEE CC(C)(C)OC(=O)NC/C=C/CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2267363123 DCUIFKYDJAFWEE-CMDGGOBGSA-N 470.372 2.484 30 10 JEEE CO[C@@H]1[C@H](OC)CN(C(=O)OC(C)(C)C)[C@@H]1CNC(=O)C1(B2OC(C)(C)C(C)(C)O2)CC1 2267502600 QDJUWHQAPSOOIM-OAGGEKHMSA-N 454.373 2.378 30 10 JEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1C[C@@H](O)C[C@H]1CNC(=O)OC(C)(C)C 2267518394 FFZVNQRAFJFWPF-GJZGRUSLSA-N 466.409 2.456 30 10 JEEE CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1CC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2268706826 RCFBYOHSHOKFBA-LLVKDONJSA-N 474.339 2.233 30 10 JEEE C[C@H]1C[C@H](CNC(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2282043592 KNPCROUBCNXYCA-JKSUJKDBSA-N 462.400 2.342 30 10 JEEE C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)C1 2282052132 LNAJUTNKGXPVDS-CVEARBPZSA-N 462.400 2.485 30 10 JEEE C[C@H]1C[C@H](NC(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)CCN(C(=O)OC(C)(C)C)C1 2282052647 PGPQPNMKYAAMGG-JKSUJKDBSA-N 462.400 2.485 30 10 JEEE Cn1ncc(C(=O)N=[S@@](C)(=O)CCCCNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2282053388 UTMMFLMUJCJHJI-XIFFEERXSA-N 484.428 2.262 30 10 JEEE CC(C)(C)OC(=O)N1[C@@H](CNC(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)COC1(C)C 2282189840 MTVBJQCGKYESKR-KRWDZBQOSA-N 461.368 2.483 30 10 JEEE CC1(C)OB(c2scnc2CS(=O)(=O)NCCCOCCOCc2ccccc2)OC1(C)C 2282501085 SAIIBDLSXOMERN-UHFFFAOYSA-N 496.460 2.485 30 10 JEEE Cc1c(C(=O)N2CC[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282554517 FOWLZMALNGHGDE-ZBFHGGJFSA-N 462.400 2.403 30 10 JEEE Cc1c(C(=O)N2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282582813 ZNURNXPKYFWIGL-PMACEKPBSA-N 450.392 2.374 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C(F)(F)C1 2282700751 SKZWYFOSFGDLCJ-CQSZACIVSA-N 468.310 2.150 30 10 JEEE C[C@@H](c1nscc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)[C@@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C 2283947531 BKMCPWRDYOFEIN-LZWOXQAQSA-N 481.424 2.332 30 10 JEEE C[C@H](NC(=O)[C@@H](CCN(C)C)NC(=O)OC(C)(C)C)c1nscc1B1OC(C)(C)C(C)(C)O1 2284054429 CEPPHRNKNMVMGX-GOEBONIOSA-N 482.456 2.465 30 10 JEEE CC(C)(C)OC(=O)NCC1CN(CC(=O)Nc2nc(B3OC(C)(C)C(C)(C)O3)ccc2Cl)C1 2284064562 WCUVVECDJNJZBI-UHFFFAOYSA-N 480.802 2.429 30 10 JEEE Cc1cc(CNC(=O)[C@@H]2COC[C@@H]2NC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2289465669 DIIDCPYMFYPYRI-MJGOQNOKSA-N 460.380 2.450 30 10 JEEE CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)C(=C(C)NC3CCN(C(C)=O)CC3)C(=O)[C@@]12C 2297591388 FKOADMMRXFQXGU-VWLOTQADSA-N 468.506 2.169 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)N1CC[C@@H](B2OC(C)(C)C(C)(C)O2)C1 2319672298 QXJYTJGEIJQFSX-CABCVRRESA-N 460.402 2.009 30 10 JEEE COc1ccc(Br)cc1C=NNc1cnn([C@@H]2CCS(=O)(=O)C2)c(=O)c1Cl 2322615688 LCCXYEDNGVEQRX-GFCCVEGCSA-N 475.752 2.473 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CS(C)(=O)=O)C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)c1F 2360642990 WANWFRDCZIZPLK-HNNXBMFYSA-N 486.371 2.001 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)n1C 2362333499 UDTDLSHDKDLYEQ-HOCLYGCPSA-N 462.400 2.403 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)[C@H](C)S(=O)(=O)CC(=O)Nc3ccc(OC)cc3)cc21 19978388 UNNNKJNYWSAUEG-HNNXBMFYSA-N 472.519 2.231 30 10 JEEE COc1cccc(/C=N/Nc2nnc(SCC(=O)Nc3cc(OC)cc(OC)c3)n2N)c1 20293140 FUCDUSNWEQPDER-SSDVNMTOSA-N 457.516 2.195 30 10 JEEE N#Cc1cccnc1N1CCN(C(=O)[C@H]2CC(=O)N(c3ccccc3Br)C2)CC1 105838975 CAAHNRPGGHWWOS-INIZCTEOSA-N 454.328 2.417 30 10 JEEE C[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@H]1CCCN(c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 204863534 KSYCKQKPHZMJKU-AEFFLSMTSA-N 489.426 2.116 30 10 JEEE O=C(NCC#CC(=O)N1[C@H](C(=O)O)C[C@@H]2OCC[C@@H]21)OCC1c2ccccc2-c2ccccc21 757530834 NLJWPUIFMIZQNR-VABKMULXSA-N 460.486 2.372 30 10 JEEE C#CC[C@@H](NC(=O)CCC(=O)N1CCN(C2c3ccccc3-c3ccccc32)CC1)C(=O)OC 1141995046 GUUURRLSKNQECZ-HSZRJFAPSA-N 459.546 2.362 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](c2ccccc2)C[C@@H]1C 1286349948 RDVYKHKSPVCHET-JBACZVJFSA-N 457.600 2.407 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CCC(=O)N2CCCCC2)CC1 1286492823 AISPPDBRLHDFLG-UHFFFAOYSA-N 483.642 2.002 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1286549617 APFWMWLAJOMVLU-HQMSXXKGSA-N 489.642 2.384 30 10 JEEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCN(CCN2[C@@H](C)CC[C@H]2C)CC1 1286606796 AVQKQKFUPHFCAJ-OYRHEFFESA-N 456.639 2.266 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC[C@@](C)(CC)O1)C1CC1 1286738365 UBZGHCVPJDREQT-BBTUJRGHSA-N 453.609 2.114 30 10 JEEE C=CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(S(C)(=O)=O)cc1 1286767923 KRJWTMLGUCEIAD-UHFFFAOYSA-N 473.555 2.096 30 10 JEEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1 1286769130 RIXKPVUJKPNOTP-CABCVRRESA-N 456.613 2.204 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1286789394 RUALCFMIRUMRII-UHFFFAOYSA-N 493.656 2.050 30 10 JEEE C[C@H](CC(=O)NCc1ccnc(OCC(F)(F)F)c1)/N=C1/NS(=O)(=O)c2ccccc21 1290953399 AEEIOSLOVZETOR-GFCCVEGCSA-N 456.446 2.156 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCc1nnc(C)s1 1300283169 LWTOKOVOPIMRKH-OAHLLOKOSA-N 473.628 2.446 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@]1(O)CCS(=O)(=O)C1 1300284365 ZFQUWIVKKUXZBX-UZUQRXQVSA-N 470.551 2.125 30 10 JEEE C#CCCCn1c(COc2ccccc2F)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1300423112 ICNPSNWBZDPHGW-UHFFFAOYSA-N 488.545 2.050 30 10 JEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ccnc(SC)c1 1300439994 OLDYNQMPLIOZRR-UHFFFAOYSA-N 456.597 2.430 30 10 JEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCN1C[C@@H](C)O[C@H](C)C1 1300466663 ZQCFPYFNUGGQBR-AQNXPRMDSA-N 476.622 2.155 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1cccc(Br)n1)[C@H]1CCS(=O)(=O)C1 1300495691 JOEDTEDCZQDADY-DLBZAZTESA-N 494.415 2.352 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1CC(=O)Nc1c(C)cccc1C)[C@@H]1CCS(=O)(=O)C1 1300504965 WRHQPLQARDPDNX-RTBURBONSA-N 471.583 2.012 30 10 JEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@@](C)(O)c1ccc(F)cc1 1300545325 OELGRJDRJISULD-HSZRJFAPSA-N 451.527 2.389 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1C[C@@H](C(=O)NCCCC)CC[C@H]1C 1301492305 DJCVZSCROIYZSI-MJGOQNOKSA-N 482.585 2.497 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1301578188 TWFAUZXQAQJECJ-RTBURBONSA-N 450.536 2.069 30 10 JEEE CC(=O)N1CCC[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CC(=O)NC(C)(C)C)C1 1301677972 LVYLLVFDKZKFKR-IBGZPJMESA-N 451.575 2.426 30 10 JEEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1CCN1CC=CCC1)[C@H]1CCS(=O)(=O)C1 1358966317 MLBMKTXTCCNEGS-QFIPXVFZSA-N 483.638 2.363 30 10 JEEE C#CCN(CC#CC)c1nnc(Cc2csc(C)n2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1358996255 YCXCOTRVDVKCRS-OAQYLSRUSA-N 467.643 2.039 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCCCO3)n2C[C@@H]2CC(F)(F)CO2)n1 1359028238 LYAKZFSGVYEFHH-OALUTQOASA-N 464.517 2.427 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCCc2cnn(C)n2)CC1 1359042686 PXUACKVZSSLMMG-UHFFFAOYSA-N 497.003 2.334 30 10 JEEE C=C(C)COCCn1c(-c2ccccn2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1359130359 HRZUNAQKSCBZIJ-GOSISDBHSA-N 450.547 2.330 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1CCCc2c1cnn2C 1359189104 ALSVKGGIKLIBLA-ICSRJNTNSA-N 491.662 2.461 30 10 JEEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1359203591 RKOSPIKDPNIKEK-INIZCTEOSA-N 479.632 2.243 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)C[C@@H]1CCOC1 1359331663 FLLJNBGUCRIDTI-SFHVURJKSA-N 497.662 2.466 30 10 JEEE CC[C@H](C#N)Oc1cc(CNC(=O)c2ccc3c(c2)S(=O)(=O)N(CC)C3=O)ccc1OC 1360147577 AUENEWNJIARNBI-MRXNPFEDSA-N 457.508 2.471 30 10 JEEE C=CC[C@@]1(C(=O)NCc2ccc(OC)c(S(N)(=O)=O)c2)CCCN1C(=O)OC(C)(C)C 1450707417 MEWDJQNHNDLMBX-NRFANRHFSA-N 453.561 2.305 30 10 JEEE C=CCOc1ccc(CC(=O)N2CCN([C@H]3CCCN(c4cc(C)nn4C)C3=O)CC2)cc1 1458858204 CDUJTMLFQUZPIH-QFIPXVFZSA-N 451.571 2.176 30 10 JEEE C#CCN(c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@H]1CCC(=O)N1)[C@H]1CCS(=O)(=O)C1 1507629630 VJMZMHMADUFSKA-UXHICEINSA-N 469.611 2.148 30 10 JEEE C#CCN(c1nnc(-c2ccccc2F)n1Cc1cccnc1OC)[C@H]1CCS(=O)(=O)C1 1507629712 OTRUEVAAVXOSLS-KRWDZBQOSA-N 455.515 2.163 30 10 JEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1CC(C)(C)C(=O)NCC)[C@H]1CCS(=O)(=O)C1 1507633560 HFXXNHPBAVXFGD-IBGZPJMESA-N 492.045 2.311 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(Br)cs1 1507660057 LLWVINUOCPYXSJ-CYBMUJFWSA-N 470.418 2.224 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)N2CCCC2)n1CCCO[C@H]1CCOC1 1507701066 XZJIEYKFZREZCS-NRFANRHFSA-N 455.534 2.489 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](COCC)C1 1507808097 SVSHXOUDCJQCAE-OKYOBFRVSA-N 455.625 2.122 30 10 JEEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN([C@H](C)c2cccc(OC)c2)CC1 1507823804 IBRUPWPHEXSVCZ-QZTJIDSGSA-N 462.620 2.356 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1508093285 HRVRYEURMWMWRK-MHECFPHRSA-N 455.559 2.106 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cn(C)c4ccccc34)n2CCNS(=O)(=O)CC)C1 1508115588 BPYKKGKOPHMGNC-QGZVFWFLSA-N 458.588 2.157 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)C(=O)CCCN(C)C1=NS(=O)(=O)c2ccccc21 1529847251 BHMNBEAORWIMKB-UHFFFAOYSA-N 454.552 2.394 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CC[C@@]2(O)C[C@H]3CC[C@H]2C3)c1 1539038438 PCOWHUSGOBNWSA-CUVVAGTFSA-N 478.597 2.414 30 10 JEEE C#CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1539115427 BDELMCLICQHROC-ROUUACIJSA-N 477.569 2.375 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1Cc1csc(CC)n1)[C@H]1CCS(=O)(=O)C1 1539226451 YJHSUYCCCQQIHG-KRWDZBQOSA-N 476.653 2.328 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCC(=O)NC(C)(C)C 1539261164 ZPHLKOLUQPGYFJ-UHFFFAOYSA-N 459.554 2.053 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2Cc2cnn(C)c2C)CC1 1539481554 AZQDTSVRDIRCAK-UHFFFAOYSA-N 467.524 2.203 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2c(C)coc2C)CC1 1539489249 JTBLCFARBHYILC-FPOVZHCZSA-N 455.559 2.226 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CCOc2ccccc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1539642085 HQYHTBHHBQEXNY-YWQGAKJTSA-N 470.570 2.241 30 10 JEEE C=C(C)Cn1c(-c2noc3c2COCC3)nnc1N(C)CCNS(=O)(=O)c1ccc(C)cc1 1539700195 SMVXKZQLWVOLKI-UHFFFAOYSA-N 472.571 2.305 30 10 JEEE C=C(C)COCCn1c(CC(C)(C)C)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1539750472 PVIUFBQHEKCZOP-UHFFFAOYSA-N 474.650 2.400 30 10 JEEE C=C(Cl)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1539803714 MFVZHHCLXJWWLA-VFNWGFHPSA-N 466.970 2.198 30 10 JEEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1540874655 NSCJBLMBMBUHNK-UHFFFAOYSA-N 492.540 2.098 30 10 JEEE C=CCn1c(S)nnc1-c1sc(NC(=O)Cc2ccc(S(N)(=O)=O)cc2)nc1C 1542966590 IWWLLJFOUPMUEV-UHFFFAOYSA-N 450.571 2.013 30 10 JEEE COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@@H](C)NS(=O)(=O)c2cnn(C)c2)cc1 1545025358 APCLYNFFUNHPSN-CQSZACIVSA-N 455.496 2.398 30 10 JEEE COCCNC(=O)[C@@H]1CN(C(=O)c2ccco2)CCN1c1ccc(C#N)c(C(F)(F)F)c1 1548367983 CGWGXSPYSQUTTR-KRWDZBQOSA-N 450.417 2.264 30 10 JEEE COC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](N2CCCC2)C1)OC 1555260068 GMJZZHQRUXAGEB-IRLDBZIGSA-N 454.575 2.455 30 10 JEEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccc(F)c(N3CCCS3(=O)=O)c2)c1 1565590605 HKANKCZCIGGOOM-UHFFFAOYSA-N 450.513 2.415 30 10 JEEE C#C[C@@H](NC(=O)[C@@H]1CN(C)C(=O)CN1C(=O)OC(C)(C)C)c1ccc(Br)cc1 1583571292 WSQJHZRZFHVTII-CVEARBPZSA-N 450.333 2.317 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CC1(O)CCS(=O)(=O)CC1 1587563146 YIVRUKCHBPSKAE-IEBWSBKVSA-N 460.600 2.433 30 10 JEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCOC[C@H]1CCOC1 1587988834 CKNSXHUWQRHMBY-MOPGFXCFSA-N 463.579 2.099 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CC1CCN(C(C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1588041749 ZQUVYJCXQOQTNC-QHCPKHFHSA-N 483.638 2.393 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(SC)CCN(C)CC1 1588629106 XUMIGPJSRQVZCR-UHFFFAOYSA-N 495.653 2.105 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccc(OC)cc2F)CC1 1588891904 VAMLASVQZCJRHL-AREMUKBSSA-N 499.587 2.481 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2Cc2ccc(C[S@](C)=O)cc2)CC1 1588946680 HIXAZAFLFMBBBV-DHUJRADRSA-N 490.633 2.157 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](CNC(C)=O)C1 1589570786 WHXNTNFALIRFFX-XPNTWCBSSA-N 455.607 2.473 30 10 JEEE C=CCCOCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@H](C(=O)OC)C1 1594813198 QIRUPOGVOMGIHI-IBGZPJMESA-N 455.563 2.044 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N1CCOCC1 1595116119 PLJRPJUJFJUNJU-TZIWHRDSSA-N 459.616 2.094 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1595475124 AICFYPNUYIJMBQ-IVZQSRNASA-N 458.950 2.090 30 10 JEEE C=CCOc1ccc(Cn2c(N3CC[C@@H](S(C)(=O)=O)C3)nnc2[C@]2(OCC)CCOC2)cc1 1595639812 LEOHUOZMULADQU-OFNKIYASSA-N 476.599 2.167 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@H](C(=O)OC)C1 1595805735 SVCHFDVETOYKMZ-INIZCTEOSA-N 452.964 2.122 30 10 JEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(OC)c(O)c1 1595884066 GVYUSOHBKVWBDA-MRXNPFEDSA-N 452.602 2.450 30 10 JEEE CCOCc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1C[C@@H]1CCOC[C@@H]1OC 1616910036 AROCSDWXSSSICX-UWJYYQICSA-N 458.538 2.203 30 10 JEEE C#CCCN1CCN(C(=O)[C@H](CCS(C)(=O)=O)Cc2cccc(Br)c2)CC1 1626212496 QBZDNZITAOGKAD-GOSISDBHSA-N 455.418 2.210 30 10 JEEE N#Cc1cn(CCC(=O)NCC2(c3cccc(C(F)(F)F)c3)CCOCC2)c(=O)nc1O 1631092197 FDUBKFLNDFBSBS-UHFFFAOYSA-N 450.417 2.094 30 10 JEEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCCC[C@H]3COC(=O)NC3CCCC3)CC2)o1 1654642963 HDIOALIOOJFTQR-IBGZPJMESA-N 458.563 2.027 30 10 JEEE COC(=O)c1cccc2c(S(=O)(=O)N3CCN(c4nccnc4C#N)C[C@@H]3C)cccc12 1668035486 CJCCSBVOIINOHJ-HNNXBMFYSA-N 451.508 2.187 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCCNS(=O)(=O)CC 1689847658 FDWNPIKPWFTYSX-KRWDZBQOSA-N 485.614 2.023 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1C[C@@H](c1ccc(C)cc1)N1CCOCC1 1690099739 JJVVPRWRYGOJAA-QHCPKHFHSA-N 463.586 2.147 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccc(C[S@@](C)=O)cc2)CC1 1690154723 XQOROJUQCSIEKZ-GSTQUKTASA-N 469.611 2.022 30 10 JEEE C#CCSCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CCC(=O)NC 1690172770 NVZPZJQUBMDTJN-KRWDZBQOSA-N 464.636 2.331 30 10 JEEE C#CCSCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CCS(C)(=O)=O 1690173013 UBTZLLOFCSEDHF-KRWDZBQOSA-N 485.676 2.240 30 10 JEEE C#CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1690177141 KYSRGTQBQSBFLE-SFHVURJKSA-N 465.620 2.140 30 10 JEEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1690183162 OEBCGYOXRIKVOY-HXUWFJFHSA-N 470.647 2.088 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccnc2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1690243692 OESZFWMXDRCBCH-QUCCMNQESA-N 460.604 2.229 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCNS(C)(=O)=O 1690264877 FUJIJWZKQATZID-KRWDZBQOSA-N 470.640 2.344 30 10 JEEE C=C(C)COCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1690302642 HWPKZQUFYKODBA-KRWDZBQOSA-N 473.530 2.204 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1690662793 DOBZPIBFZHOJTH-ZIAGYGMSSA-N 484.420 2.268 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(C)(C)N2C[C@H](C)C[C@@H](C)C2)C1 1690686663 RPNNCIIUQPQJGZ-YSTOQKLRSA-N 482.695 2.426 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N(C)C[C@H]1COc2ccccc2O1 1690722858 YANFINYMPXGDOT-KRWDZBQOSA-N 457.556 2.161 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCSC2(CCCCC2)C1 1690724760 WBUUJOPUZIKMRW-QGZVFWFLSA-N 488.701 2.037 30 10 JEEE C=CCSCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCS(=O)(=O)CC1 1690741931 BHQSYMVKILLRPR-UHFFFAOYSA-N 488.639 2.390 30 10 JEEE CCc1ccccc1OCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCC(=O)NC 1694545344 GQAMHDTWKRXCIC-UHFFFAOYSA-N 474.569 2.149 30 10 JEEE C#CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1705529150 FSCBMDAZLQHLOM-KNQAVFIVSA-N 480.613 2.365 30 10 JEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2c(F)cccc2Cl)CC1 1705533244 WILFLABZSCITSJ-INIZCTEOSA-N 493.992 2.349 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1CCCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1705564557 PCZLZJOCTVLUBL-HXUWFJFHSA-N 452.584 2.475 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H](C)Oc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1705564964 GHAQRFLNTWYPMR-QWFCFKBJSA-N 476.574 2.405 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCO[C@@H]1C(C)C)[C@@H]1CCS(=O)(=O)C1 1705567557 YSFVEMFAZWSDSL-QKNQBKEWSA-N 457.600 2.336 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1C[C@@H](c1ccc(C)cc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1705571481 ZVPHBDBARDMEOQ-YADHBBJMSA-N 455.628 2.469 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2CC2(C)C)CC1 1705646184 ASWXTAUGGMNGJQ-IBGZPJMESA-N 469.611 2.361 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1705895365 DMTGTMDDLLGWRF-ROUUACIJSA-N 463.485 2.233 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCCc2ccccc2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1705937901 ICTZJRIDVDFFLJ-IBGZPJMESA-N 475.615 2.331 30 10 JEEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1705938652 GCYHQVMPQVUPLS-UHFFFAOYSA-N 460.564 2.380 30 10 JEEE CC(C)(C)c1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CC(=O)NCC(F)F)cc1 1706100155 GXVJJDTYTGYDFR-KRWDZBQOSA-N 462.501 2.265 30 10 JEEE CC(C)(C)[S@@](=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(S(C)(=O)=O)CC1 1706187462 ATROWEPHCLWALG-PMERELPUSA-N 463.629 2.377 30 10 JEEE Cc1cc(C)n(Cc2nnc(N3CC[C@](F)(C#N)C3)n2Cc2cccc(OCC(=O)N(C)C)c2)n1 1707826228 BGRCZIHRDJFZCX-DEOSSOPVSA-N 480.548 2.097 30 10 JEEE CCNC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC[C@@H]2C)CC1 1710332941 BPSFPAJKWLUPFH-PZJWPPBQSA-N 465.602 2.423 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](CN2CCCC[C@H]2C)C1 1722332279 HPYFWTSFFGAWIS-FSSWDIPSSA-N 492.690 2.115 30 10 JEEE C#CCN(c1nnc(C2CC2)n1Cc1ccc(C)cc1OCCOC)[C@@H]1CCS(=O)(=O)C1 1722365761 FHOWUKSSZWQCLD-HXUWFJFHSA-N 458.584 2.164 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@]2(O)CCO[C@@H]2C)CC1 1722435325 GMQMCSMHTMNCMI-KBMIEXCESA-N 469.586 2.036 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CC[C@@H](OCC)C2CCCC2)CC1 1722441479 RHAZTAPFCCNMSD-JOCHJYFZSA-N 484.645 2.465 30 10 JEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](Cc2ccc(F)cc2)C1 1722451035 FKGDNZXZCQBLNI-WMZOPIPTSA-N 465.620 2.463 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1722452968 MOYYJZNCPYHTHN-KRWDZBQOSA-N 463.629 2.383 30 10 JEEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC2(CCC2)C[C@@H]1CC 1722462232 UPFNTPZEIPUPHB-ROUUACIJSA-N 467.661 2.136 30 10 JEEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1722462393 NVOIEIASKYSJEH-KRWDZBQOSA-N 474.656 2.329 30 10 JEEE C=C(C)COCCn1c(-c2cccc(OC)c2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1722530371 DLJRNGBZNYRDMH-UHFFFAOYSA-N 477.569 2.367 30 10 JEEE C=CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@H](CNC(C)=O)C1 1722609783 FJCIYWATGLFFGM-MRXNPFEDSA-N 451.369 2.354 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H](C)CC)nnc2N2CCN(C(=O)CN3CCOCC3)CC2)cc1 1722702141 FMUAOTZZHZWSDS-NRFANRHFSA-N 482.629 2.386 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2nnc(C(C)(C)C)s2)C1 1722719667 YLOPWGSUZVEKDK-HUUCEWRRSA-N 466.633 2.159 30 10 JEEE CCCOc1ncccc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CCOC)C(=O)C1 1728226910 BXXJQSRVXSAZED-UHFFFAOYSA-N 475.553 2.344 30 10 JEEE CN(CCn1cccn1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1729537390 FCERMNJNHSKOJV-LJQANCHMSA-N 474.491 2.413 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2ccccc2F)n1CCS(=O)(=O)N1CCSCC1 1740535283 OZCHMOABJUWORP-IAGOWNOFSA-N 481.619 2.394 30 10 JEEE C#CCN(c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCC=C)[C@H]1CCS(=O)(=O)C1 1740622579 DTWRISPFVIYOMA-SFHVURJKSA-N 480.594 2.268 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCOCC(F)(F)C(F)F)[C@@H]1CCS(=O)(=O)C1 1740627999 UVLZASZWFFDKLK-HUUCEWRRSA-N 482.500 2.063 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@H]2CN(CC(C)C)CCO2)CC1 1740691745 CARSRBOBTWVSIF-HSZRJFAPSA-N 452.603 2.066 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2CCCN2CCCC2)CC1 1740692333 IVQGTSLDHBDMMV-UHFFFAOYSA-N 460.424 2.287 30 10 JEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2cccc(C(OC)OC)c2)CC1 1740698854 NSDAJBQWLDLORW-UHFFFAOYSA-N 463.586 2.235 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@](C)(O)CCC)CC1 1740702150 WXUZPHRLRJOZSR-RUZDIDTESA-N 469.586 2.479 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2cc(F)cc(F)c2C1 1740717228 MTNSCUJTWYLSHK-OAHLLOKOSA-N 452.552 2.388 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCCN1CCCC 1740731692 FTOMVSOFGROABF-PQNGQFLHSA-N 492.690 2.258 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1740753870 OWJOYOYCNUJGEM-CUWPLCDZSA-N 475.615 2.405 30 10 JEEE C=C(C)COCCn1c(C2CC2)nnc1N1C[C@@H](C(=O)OC)[C@H](CNC(=O)OC(C)(C)C)C1 1740793789 XKFUKYQJSGDZHJ-QZTJIDSGSA-N 463.579 2.498 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C)(c2nc(C)no2)CC1 1740795183 PDQDBHPQRYNKGD-KRWDZBQOSA-N 464.592 2.022 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC(C(=O)NCCC)CC1 1740953928 WBMOWZNVIQEFAS-UHFFFAOYSA-N 476.585 2.380 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCO[C@@H](c2ccco2)C1 1740964272 MWCOYSBXZOLDOW-HXUWFJFHSA-N 453.499 2.339 30 10 JEEE Cc1cc(C)n(Cc2nnc(N3CCN(c4cc(C#N)ccn4)CC3)n2CC[S@](=O)C(C)(C)C)n1 1742708330 IBEOJZAJVRBECW-DHUJRADRSA-N 495.657 2.280 30 10 JEEE CC[C@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1743886610 AZUHDOQHSHLESB-LPHOPBHVSA-N 458.588 2.135 30 10 JEEE CCN(CC)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCN(C)C2)CC1 1746128209 HOJBXUQXNZVWOM-VWLOTQADSA-N 467.618 2.106 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(=O)NC1CCCCC1 1748670920 DTOCOXDIXRHRTH-SFHVURJKSA-N 450.591 2.359 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1(COC)CCOCC1 1748825232 RZMUCMHGXHXZFQ-UHFFFAOYSA-N 469.973 2.378 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H](C)N1CCC(C)CC1 1748842977 WXILDFDFPPAXRJ-HXUWFJFHSA-N 457.582 2.385 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCc2cc(C)ccc2OC)CC1 1749001524 VMITZRLXFBOQPF-GMAHTHKFSA-N 453.587 2.317 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2Cc2csc([C@@H](C)OC)n2)CC1 1749009669 DZBKXHVLUWNDEC-MRXNPFEDSA-N 467.599 2.462 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3nn(CCC)c(=O)c4ccccc34)n2C[C@H](C)OC)CC1 1749009976 YPJHPQNJFCUAHH-SFHVURJKSA-N 491.596 2.066 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCC2(CCN(C)C2=O)CC1 1749119561 UGWIHLCCJZLDAW-AABGKKOBSA-N 461.607 2.432 30 10 JEEE C=C(C)COCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@H](NC(C)=O)C1 1749227037 YNIXPDIUMOXEIZ-KRWDZBQOSA-N 451.531 2.292 30 10 JEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(C)(C)NC(=O)OC(C)(C)C)CC1 1749286329 IBBREWOSRDXMSL-HNNXBMFYSA-N 456.613 2.348 30 10 JEEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1749354055 HUXULSZGKKFNBU-QGZVFWFLSA-N 475.619 2.293 30 10 JEEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1749415093 NVQKFONJXKXCGE-QGZVFWFLSA-N 452.602 2.328 30 10 JEEE C=CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H]1CCCN1S(C)(=O)=O 1749487460 DSJJFKVKNDZIBL-GOSISDBHSA-N 482.651 2.439 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1749652357 MDVDLFOXLSGTSO-SFHVURJKSA-N 490.543 2.453 30 10 JEEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1749676709 AJHQWPCOIDQJJX-FQEVSTJZSA-N 482.629 2.064 30 10 JEEE CC(=O)N1CCN([C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCCCCCO)C[C@H]2C)CC1 1749883421 MISPOJMWZCIEHI-HYBUGGRVSA-N 479.629 2.358 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@@H](c2ccco2)N2CCCC2)CC1 1760273535 XOUGFLPZJWJKQK-FQEVSTJZSA-N 454.575 2.211 30 10 JEEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1760276412 DHNFOXIYMDCUQL-UHFFFAOYSA-N 469.036 2.220 30 10 JEEE C#CCSCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1760278160 ZYBAQIDUEVEWRA-MSOLQXFVSA-N 455.584 2.434 30 10 JEEE C=C(Br)Cn1c([C@H]2CCCCO2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1760306983 LXWUZSJKEUFDOI-AUUYWEPGSA-N 467.368 2.243 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1(O)CCS(=O)(=O)CC1 1760340208 OVJMJWLTMXWALS-HDICACEKSA-N 497.662 2.391 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@]1(C)COCCO1 1760480008 HWWJRNQYMHSMHI-REWPJTCUSA-N 471.583 2.050 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCO[C@H](C#N)C1 1760551817 SKSSOHLIIOOSOL-MRXNPFEDSA-N 480.388 2.346 30 10 JEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1760565765 DPPUQXXEAIJCFB-QGZVFWFLSA-N 492.627 2.334 30 10 JEEE Cc1cc(C)n(Cc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H]2CCN(CC(F)(F)F)C2)n1 1762439874 BOKNEYZIKKQBJW-APWZRJJASA-N 454.476 2.466 30 10 JEEE O=C(C1=C(O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1ccc(O)c(O)c1)c1cccc([N+](=O)[O-])c1 1862741201 MUKFXQWBFSSBTJ-OAQYLSRUSA-N 483.477 2.307 30 10 JEEE CN(C)[C@H](CNC(=O)[C@H](Cc1ccccc1)N=C1NS(=O)(=O)c2ccccc21)c1ccc(O)cc1 1869931760 HCQYUPZXQIDNPO-XZOQPEGZSA-N 492.601 2.461 30 10 JEEE C=CCn1cc(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c(=O)cc1CN1CCN(CC)CC1 1870397726 QUQYZCYKSPSETL-UHFFFAOYSA-N 455.515 2.098 30 10 JEEE COc1ccc(/C=N/n2c(SCC(N)=O)nnc2[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)cc1 1874199034 CYIZGUMFTYOZQZ-KWJLSGNOSA-N 480.550 2.275 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]1C(=O)NCCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2180983206 AYANQMUSCTZBMY-MOPGFXCFSA-N 460.380 2.327 30 10 JEEE C#CCOCCOCCN1CCN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)CC1 2220643593 RGPDATDBWWCVLV-UHFFFAOYSA-N 455.596 2.443 30 10 JEEE CC1(C)OB(c2c[nH]nc2C(=O)N2CCC[C@H](NC(=O)OCc3ccccc3)C2)OC1(C)C 2253171395 BQEWXJQLLQMTTI-KRWDZBQOSA-N 454.336 2.240 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCN(c2nccc(B3OC(C)(C)C(C)(C)O3)c2F)C[C@@H]1CO 2266062275 OANIGVDSSUEXJC-ZBFHGGJFSA-N 451.348 2.232 30 10 JEEE CC(C)(C)OC(=O)N1CCN(CCNC(=O)c2ccsc2B2OC(C)(C)C(C)(C)O2)CC1 2267171176 GHJOPDRCFJNXQI-UHFFFAOYSA-N 465.425 2.330 30 10 JEEE Cn1nc(C(=O)N2C[C@@H](NC(=O)OC(C)(C)C)CC23CCC3)cc1B1OC(C)(C)C(C)(C)O1 2281981471 NSYJNNIQVJJQPP-HNNXBMFYSA-N 460.384 2.381 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@H]2CCN(C(=O)c3occc3B3OC(C)(C)C(C)(C)O3)C[C@@H]21 2282051892 KHKSZYMGCXVDLC-DLBZAZTESA-N 462.352 2.429 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](CO)[C@@H](NC(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282191240 MMHJIRIRMDIZOL-MJGOQNOKSA-N 460.380 2.334 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](O)CN1C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2282407959 AOXPJAFJSJYYBK-CVEARBPZSA-N 464.343 2.225 30 10 JEEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)N(Cc2ccccc2)CC2(O)CNC2)OC1(C)C 2282503150 VPOPWPBDXWXKRL-UHFFFAOYSA-N 492.834 2.164 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N[C@@H]2CC(C)(C)[C@@H]2OCc2ccccc2)n1 2282505793 JCXBTGMHBBABFW-RTBURBONSA-N 475.420 2.382 30 10 JEEE C[C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)N(C(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C1 2282538859 LVMMYVIJVHAXSK-CVEARBPZSA-N 462.400 2.485 30 10 JEEE Cn1cc(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C(F)F)nc1B1OC(C)(C)C(C)(C)O1 2282543260 NTUHEIYQJDLTPW-IAGOWNOFSA-N 460.334 2.215 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1CO 2282577694 IGIDTBPHPOHEPO-LSDHHAIUSA-N 481.424 2.098 30 10 JEEE Cn1cc(C(=O)N2C[C@@H]3CN(Cc4ccccc4)C[C@]3(C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2282598473 LPEBWBNDEBULBC-UQBPGWFLSA-N 450.392 2.313 30 10 JEEE Cn1nc(C(=O)N[C@]23CCC[C@@H]2CN(C(=O)OC(C)(C)C)C3)cc1B1OC(C)(C)C(C)(C)O1 2282626702 DGEHMSWKABKSNN-CMJOXMDJSA-N 460.384 2.239 30 10 JEEE CC(C)(C)OC(=O)N1CCC2(CC(NC(=O)c3ncncc3B3OC(C)(C)C(C)(C)O3)C2)C1 2282647567 DAYIGJDGFKBGCR-UHFFFAOYSA-N 458.368 2.295 30 10 JEEE CC1(C)OB(c2cncc(C(=O)NC[C@]3(O)CCCN(Cc4ccccc4)C3)c2)OC1(C)C 2282700205 OZEKUPKGGUOFQX-RUZDIDTESA-N 451.376 2.138 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](NS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CC1(C)C 2282858512 YENWEXILKGQGLJ-INIZCTEOSA-N 481.424 2.447 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@H](O)CN(c2ccc([N+](=O)[O-])c(B3OC(C)(C)C(C)(C)O3)c2)C1 2282939177 ZYADZHRDJLOULA-HOCLYGCPSA-N 463.340 2.358 30 10 JEEE COCCCN1C(=O)C(=O)C(=C(O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@H]1c1ccc(OC)cc1 2296139027 LYKLBSCJPWDGRO-OAQYLSRUSA-N 488.562 2.404 30 10 JEEE COc1cc(C=CC(=O)C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc(OC)c1OC 2323177550 IAUMAAWIZQMHCX-UHFFFAOYSA-N 468.506 2.368 30 10 JEEE COC[C@](CCCNC(=O)OC(C)(C)C)(C(=O)O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 2346917891 PYWDHRRDQLXZAN-HYBUGGRVSA-N 460.575 2.471 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@@H]2C)n1C 2362337704 AJZQEEJSPBKGPL-GJZGRUSLSA-N 462.400 2.498 30 10 JEEE C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)CCN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2362353024 IGQCKZJTUCZRKM-HZPDHXFCSA-N 462.400 2.485 30 10 JEEE Cc1nn(CCO)c(C)c1/C=N/Nc1nnc(SCC(=O)Nc2cc(Cl)cc(Cl)c2)n1N 59914584 LPIWMMMQCXZHAR-GZIVZEMBSA-N 498.400 2.281 30 10 JEEE CCOC(=O)C1CCN(c2nc3c(c(=O)[nH]2)[C@H](c2cc(F)cc(F)c2)[C@H](C#N)C(=O)N3)CC1 72444765 JPCAIIXEKCWLGT-JKSUJKDBSA-N 457.437 2.051 30 10 JEEE N/C(=N/O)c1cn[nH]c1NC(=O)c1cc(I)ccc1Br 236330302 CJPWLYMPLODTEK-UHFFFAOYSA-N 450.034 2.124 30 10 JEEE COc1ccc(C(=O)CSc2nnc(N/N=C/c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2N)cc1 253559922 AEHMJCOMBAXMDG-AWQFTUOYSA-N 472.443 2.238 30 10 JEEE COc1ccc(C(=O)N=C2S[C@@H]3CS(=O)(=O)C[C@@H]3N2Cc2ccc3c(c2)OCO3)cc1 254698808 DCZYNIODNOFXNH-QFBILLFUSA-N 460.533 2.335 30 10 JEEE CCOCCn1c(NN=Cc2cc(Br)ccc2OC)nc2c1c(=O)nc(O)n2C 254812632 PUDOUTLDEOGKRM-UHFFFAOYSA-N 465.308 2.089 30 10 JEEE Cc1c(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)nnn1-c1ccc(OC(C)C)cc1 518237411 NGUDFZIZSYSYFT-UHFFFAOYSA-N 494.577 2.381 30 10 JEEE C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 520845704 SLHUIXBDKCQSQH-QGZVFWFLSA-N 497.602 2.282 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)C[S@](=O)CC(=O)Nc2ccc(OC)cc2)nc1C 526835691 JOXRJGPBDIZUEI-SSEXGKCCSA-N 451.526 2.129 30 10 JEEE CC(C)CN1C[C@@H](C(=O)[C@@H](C#N)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)CC1=O 729069060 FFYCJCFKLANFRG-FXAWDEMLSA-N 474.583 2.013 30 10 JEEE C=CC[C@@]1(C(=O)N2CCN(S(=O)(=O)N(CC)CC)CC2)CCCN1C(=O)OC(C)(C)C 1151879796 ZWNSTZHSXUUSFY-NRFANRHFSA-N 458.625 2.063 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1CC(=O)N1CCN(c2ccccc2)CC1 1286271662 UVAFXLHZXAUUHL-LJQANCHMSA-N 465.602 2.003 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc2ccccc2s1 1286295752 KTMXJXQUJJHJAO-QAPCUYQASA-N 459.597 2.332 30 10 JEEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1286318143 YGSCZQPLPZVHFZ-IBGZPJMESA-N 457.600 2.457 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(c2ccccc2C)CCOCC1 1286466529 HRCFKSPXFUJJPK-OAQYLSRUSA-N 486.638 2.323 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)c2ccsc2)CC1 1286550055 YWOINWQPDPKOPA-MJGOQNOKSA-N 472.615 2.421 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CCCOC2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1286628549 IGEXZMKZXWRASW-PWIZWCRZSA-N 451.015 2.304 30 10 JEEE C=C(Cl)Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1286631365 JCLLXSIZAGJJBJ-QGZVFWFLSA-N 493.395 2.151 30 10 JEEE C=C1CCN(c2nnc(CNC(=O)c3cccs3)n2CCCN(CC)S(C)(=O)=O)CC1 1286649455 WHWYWTSOJGNMJU-UHFFFAOYSA-N 466.633 2.098 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)[C@H]1CCCc2c1cnn2C 1286780076 AUBXAWLTCOFFCD-IBGZPJMESA-N 497.003 2.411 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCNC(=O)c2cc[nH]n2)C1 1286798476 KWLQYYQVTXJOKO-IBGZPJMESA-N 478.557 2.082 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](Cc2ccc(C#N)cc2)C1 1286819862 YEEVWXPECQDMQW-LEWJYISDSA-N 482.610 2.161 30 10 JEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](CN2CCCC[C@@H]2C)C1 1286823197 MHNLSKHCSUFOHT-LEWJYISDSA-N 492.690 2.092 30 10 JEEE C=CCS(=O)(=O)CCn1c(Nc2cnn(C)c2)nnc1[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1286825563 SQAQZTRXJWRBJY-INIZCTEOSA-N 479.607 2.471 30 10 JEEE C#CC[C@]1(C(=O)NCc2cccc([C@]3(C)NC(=O)NC3=O)c2)CCCN1C(=O)OC(C)(C)C 1292585013 PMTCDGGKOIVMOV-BJKOFHAPSA-N 454.527 2.150 30 10 JEEE CN(C)CC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1298066611 HDEDGCBJSZTCFZ-UHFFFAOYSA-N 487.612 2.225 30 10 JEEE COC(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCn2cc(Br)cn2)C1 1299376172 DQLXHSJHPYJCAP-INIZCTEOSA-N 470.331 2.475 30 10 JEEE C#CCCCn1c(COc2ccc(F)cc2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1300422101 FDHRWWXSAIHQJA-HXUWFJFHSA-N 454.506 2.176 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC2([S@@](C)=O)CC2)CC1 1300711834 IOOOQQKSXTWELH-UYCLUKJHSA-N 487.601 2.434 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1NC(=O)CC1(C)C 1300789599 QSAAIBDNKHHKJE-NTKDMRAZSA-N 484.626 2.102 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](CNC(C)=O)C1 1300895441 SBOYVMCJPBGVBB-AANPDWTMSA-N 461.607 2.336 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Oc1ccccc1 1300916585 ZBQZHAGQDHAVEJ-QUCCMNQESA-N 463.604 2.481 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cc(C)on1 1301150830 BGDQYDKEMUDGQB-KRWDZBQOSA-N 452.581 2.146 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1c(OC)cc(OC)cc1OC 1301296542 IPYAPZGWLGMCMF-OAHLLOKOSA-N 450.561 2.071 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c(-c2noc3c2COCC3)nnc1N1CCN(C)C(=O)[C@@H]1C)C(C)C 1301366418 BLEZXINFTDVJDL-ICSRJNTNSA-N 483.617 2.371 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1301493258 XCRIMCRRBGTLRC-OAHLLOKOSA-N 452.481 2.329 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccccc2CC)C1 1301556906 KEKCDONOJFUTBF-RTWAWAEBSA-N 475.615 2.003 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](CN2CCCCCC2)C1 1301567355 HPHLEOPSDYUHNJ-FQEVSTJZSA-N 480.679 2.110 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(Cl)c1 1303638585 AKONEFHUDHHZPX-YOEHRIQHSA-N 452.968 2.051 30 10 JEEE C[C@@H](CN1CCOCC1)Cn1c(CC(C)(C)C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1303758716 GHSKYZRHJPYCQH-FQEVSTJZSA-N 466.634 2.428 30 10 JEEE COc1ccc(C[C@H](C)Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@H](C)C#N)cc1 1315440087 GPVUSOYLNRQHTG-UEXGIBASSA-N 490.630 2.094 30 10 JEEE C#Cc1cccc(NC(=O)CNC(=O)c2cn([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nn2)c1 1354862342 OFPWDCXQOONWPA-SFHVURJKSA-N 452.515 2.200 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCC(C(F)(F)F)CC1 1358889865 HWWLXCGLWUCNRZ-ZGRYLRDCSA-N 477.553 2.438 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@H](C)N(C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1358960781 LSGOVALFLHQTKX-FPOVZHCZSA-N 466.611 2.435 30 10 JEEE C#CCN(c1nnc(C2CC2)n1CC(C)(C)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1358962331 NVXUWGDKVRZLDD-MRXNPFEDSA-N 451.593 2.086 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1CCCN1CCCCC1=O)[C@H]1CCS(=O)(=O)C1 1358965241 QQSJGMCFDAGFNE-QFIPXVFZSA-N 483.638 2.207 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(Br)c2)n1CCCNS(=O)(=O)CC 1358971333 QTGSPDJGGNPZPA-UHFFFAOYSA-N 464.389 2.110 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H]2OCC[C@H]2C)CC1 1359029021 MFJKJLZXUKZILP-YLJYHZDGSA-N 456.978 2.042 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCn2cc(Cl)cn2)CC1 1359042425 FXFFOUNQOZLCSQ-UHFFFAOYSA-N 497.987 2.478 30 10 JEEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](C(=O)NCCC)C1 1359051075 LHMJZVYOLNZIDV-IBGZPJMESA-N 489.667 2.458 30 10 JEEE C#CCSCCn1c(-c2cccc3cccnc23)nnc1N1CCN(CC(=O)NCC)CC1 1359053589 RRCOMKTZJSTDIL-UHFFFAOYSA-N 463.611 2.118 30 10 JEEE C#CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(CCOC)[C@H](C)C1 1359059515 PPADLFRTQDXUEE-LJQANCHMSA-N 453.616 2.040 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccccc2OC)nnc1N1CCN(CC(=O)NCC)CC1 1359101698 RCTWYWKQOYZJKH-SQJMNOBHSA-N 482.629 2.117 30 10 JEEE C=C(C)COCCn1c(CSc2ccccc2OC)nnc1N1CCN2C(=O)NC[C@H]2C1 1359136265 FELSGDQUPHCAOM-KRWDZBQOSA-N 458.588 2.386 30 10 JEEE C=CCN(C)c1nnc(Cc2c(F)cccc2F)n1CCS(=O)(=O)N1CCSCC1 1359242170 SDQYBRMDMGQBGD-UHFFFAOYSA-N 457.572 2.148 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1359294029 ILZQDKFTWXVOMN-KRWDZBQOSA-N 453.547 2.466 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1359294030 ILZQDKFTWXVOMN-QGZVFWFLSA-N 453.547 2.466 30 10 JEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1359302790 UOJVYQJKYHOSLJ-UHFFFAOYSA-N 482.570 2.171 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1359330615 XKWLKHVTUOHLQM-FQEVSTJZSA-N 456.572 2.166 30 10 JEEE C#CCOc1ccc(CNC(=O)CCc2nc3cc(S(N)(=O)=O)ccc3n2CCC)cc1 1472566354 KORQBNVENYMNAJ-UHFFFAOYSA-N 454.552 2.355 30 10 JEEE CCCC(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCOCC2)CC1 1499911169 HVCASZFSKVYGNZ-UHFFFAOYSA-N 482.585 2.155 30 10 JEEE C#CCCCn1c(N2CCN(CC(=O)N3CCCC3)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1507598714 HDQKOXNPLDWDJB-OYRHEFFESA-N 499.660 2.207 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1CCN(CCN(C)C)CC1 1507645811 LTCCVAHCMBPGSK-UHFFFAOYSA-N 462.598 2.063 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCN(c2ccccc2OC)C1 1507669393 LMUNVZLHWVROEJ-LEWJYISDSA-N 481.622 2.178 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1CC1CCN(C(C)=O)CC1 1507703725 YOWFDTGYOXVYBU-UHFFFAOYSA-N 466.561 2.438 30 10 JEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CCCN1C[C@@H](C)C[C@H](C)C1 1507712772 ORUHTRSHNKJMET-OALUTQOASA-N 456.591 2.460 30 10 JEEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1507746936 GWUSXWFPCYYEOM-SFHVURJKSA-N 470.599 2.369 30 10 JEEE C=C(Br)Cn1c(Cc2ccccc2F)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1507787623 ITOJBYCPEHKOGQ-GDBMZVCRSA-N 453.312 2.277 30 10 JEEE C=C(C)COCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC(NS(C)(=O)=O)CC1 1507847048 DVEHKRCQRKWGTA-UHFFFAOYSA-N 472.615 2.461 30 10 JEEE C=CCCOCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1507958305 ALCOXSOUMPBAOD-RLAPIPATSA-N 489.642 2.385 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)Cc1ccsc1 1508071719 DYQVYEZSKWQIOL-UHFFFAOYSA-N 474.612 2.196 30 10 JEEE C=CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1508159667 WSTJXJZCDMJEGY-UHFFFAOYSA-N 453.572 2.460 30 10 JEEE Cc1ccoc1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1510515473 HSMQTJNQMNKSPZ-UHFFFAOYSA-N 470.555 2.197 30 10 JEEE Cc1cc(C)nc(-n2nc(C)c(CC(=O)N3CCN(C(=O)OC(C)(C)C)C[C@H]3C#N)c2C)n1 1515673891 FWVHASLMYIQWNY-GOSISDBHSA-N 453.547 2.410 30 10 JEEE CN(Cc1ccc(C#N)cc1)c1nnc(Cc2ccncc2)n1CCS(=O)(=O)N1CCSCC1 1517105343 GKTUDZRJHVLHQI-UHFFFAOYSA-N 497.650 2.151 30 10 JEEE Cn1ncc(CCCn2c(-c3cc(F)ccc3Br)nnc2N2CCO[C@@H](C#N)C2)n1 1517425559 AKXBSAVAEUXEDM-HNNXBMFYSA-N 475.326 2.337 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1CCS(=O)(=O)C1 1539015162 SZJDCFRBMSNSHG-OKZBNKHCSA-N 465.620 2.285 30 10 JEEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@H]1CCCCS1(=O)=O 1539026189 RIZYZIPKDFZSPR-GMAHTHKFSA-N 484.670 2.068 30 10 JEEE C#CCCCn1c(Cc2ccccc2OC)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1539123719 CVUPCGUKVCKESF-DEOSSOPVSA-N 450.543 2.105 30 10 JEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CC1([S@@](C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1539205303 GOAYPHLRPVUVCM-SFNQZPIRSA-N 467.016 2.136 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccc(OCCC)cc1)[C@H]1CCS(=O)(=O)C1 1539222415 VYMMZTCSTTWOHD-PMACEKPBSA-N 458.584 2.246 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@H]1CC[C@H](CO)O1 1539315165 GEGCMAOJUDQBJA-VQTJNVASSA-N 474.565 2.068 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2Cc2cccnc2OCC)CC1 1539462285 ROGNOFDWFFGMIB-UHFFFAOYSA-N 462.554 2.463 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2CC[C@H](C(F)F)N2CCOCC2)CC1 1539468599 GCPINYIZXNIMNL-IEBWSBKVSA-N 466.577 2.113 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2csc(N3CCOCC3)n2)n1CC(C)(C)C(=O)NC 1539551880 CAERJIOJOCJYLN-JOCHJYFZSA-N 457.604 2.003 30 10 JEEE C=C(C)Cn1c(N2CCN([C@H](C(N)=O)c3ccccc3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1539723745 ZPKZOUMCNFEYTQ-OFVILXPXSA-N 468.602 2.243 30 10 JEEE C=C(Cl)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1539793358 CXOHUWBVNDNFRO-HNNXBMFYSA-N 487.051 2.394 30 10 JEEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1 1540033655 OCLDEHUCQCPBQJ-LJQANCHMSA-N 472.977 2.438 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1540865862 VBQPRKYXOPOGAS-ORAYPTAESA-N 482.404 2.456 30 10 JEEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(C(=O)OCC)CC1 1540868882 VHIBCZUTVAUCEB-UHFFFAOYSA-N 451.531 2.018 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCC[C@H]2CC)C1 1540893244 ZELAYAHJTWRMDA-WCIQWLHISA-N 467.636 2.219 30 10 JEEE COCCNC(=O)[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CCN1C(=O)c1ccco1 1548372626 OPFVHLGMFPMGIA-KRWDZBQOSA-N 450.417 2.264 30 10 JEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C)c2cc(F)ccc2N2CCC(O)CC2)cc1 1587303959 SNOAKCJUIDNKRB-MRXNPFEDSA-N 459.543 2.189 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Cl)n1C[C@]1(OC)CCOC1)[C@H]1CCS(=O)(=O)C1 1588045528 MHLNUGOKNGYBBL-HRAATJIYSA-N 464.975 2.031 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1CCOCC1 1588550623 WJEMPDLPSWXQDQ-FQEVSTJZSA-N 489.617 2.070 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCCN(C)CC(F)(F)F)CC1 1588914128 XKPYQPKNJJYJEP-UHFFFAOYSA-N 465.524 2.134 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CC2C[C@@H](C)O[C@H](C)C2)CC1 1588954116 ACAUKUYONHOMCF-RTBURBONSA-N 450.587 2.433 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)CC(=O)N1CCOCC1 1589505332 LUEYYICFAWBFAH-GHTZIAJQSA-N 470.530 2.130 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2OC)nnc1N(C)CC(=O)N1CCOCC1 1589516293 ZBZZIUBDGUCMES-GCJKJVERSA-N 455.559 2.230 30 10 JEEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](CN2CCCCC2)C1 1594626009 KENUSTYYRNSIFQ-NHCUHLMSSA-N 480.679 2.280 30 10 JEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCN1C1CCCCC1 1594963116 QKNGWKOEDMICBV-VQTJNVASSA-N 466.652 2.030 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCC[C@H](CN2CCOCC2)C1 1595785319 WYMAYPLHKNLGKY-HXUWFJFHSA-N 489.642 2.103 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F 1595798794 SXOVNTFNLQZDRQ-AWEZNQCLSA-N 476.525 2.162 30 10 JEEE C=CCc1cc(C(=O)N[C@@H]2CC(=O)N(C3CN(C(=O)OC(C)(C)C)C3)C2)cc(OC)c1OC 1603241995 DPKSQJDFXSMKBJ-QGZVFWFLSA-N 459.543 2.382 30 10 JEEE N#Cc1ccc(S(=O)(=O)NCCN2Cc3ccccc3OCC2=O)cc1Br 1622548771 FDILHRBWJSYLPM-UHFFFAOYSA-N 450.314 2.020 30 10 JEEE C#CC[C@@H](CO)NC(=O)c1ccc(I)c(I)c1 1628850149 VWIXLBJUPSYOLJ-VIFPVBQESA-N 455.033 2.010 30 10 JEEE C=C[C@@H]1OCC[C@H]1NC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N(CC)CC 1667569663 CFFJBPDSIGLYNO-XLIONFOSSA-N 452.577 2.019 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1689839904 OTIFVWMVPWUGFP-HZPDHXFCSA-N 451.535 2.292 30 10 JEEE C#CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(C(=O)C(C)C)CC1 1689886999 MLPIRYQBGMBWHV-UHFFFAOYSA-N 461.570 2.300 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CCC[C@@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1689993647 IXXGJESZPUBUQN-RTWAWAEBSA-N 457.600 2.240 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCS(=O)(=O)C(C)(C)C)CC1 1690110786 ZMKKYNZJVYWAIS-UHFFFAOYSA-N 486.642 2.116 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2ccc(-n3ccnc3C)c(F)c2)CC1 1690111854 KVYCIWRVMBWJHI-LJQANCHMSA-N 481.576 2.439 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC(O)(Cc2cccc(C)c2)CC1 1690672715 ASSDVRKEFFPGIS-UHFFFAOYSA-N 460.582 2.449 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H](C(=O)NC)C1 1690715381 KDPNFSOWOLRGEH-DLBZAZTESA-N 479.578 2.120 30 10 JEEE C=CCSCCn1c(-c2cccc(C)n2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1690741975 CLNXQSGTABIKHJ-JOCHJYFZSA-N 455.588 2.382 30 10 JEEE Cc1cccc(CCCn2c(C(=O)NC(C)C)nnc2N2CCN(c3cc(C#N)ccn3)CC2)n1 1693201986 DBHXIUHBMIJLRL-UHFFFAOYSA-N 473.585 2.346 30 10 JEEE Cc1ccccc1-c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCNC(=O)C(C)C 1693245115 AWUXEIQABJFVLI-IBGZPJMESA-N 473.585 2.403 30 10 JEEE CCOc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H](C)N1CCN(CC)CC1 1696174783 GATIXWQRDGJDQO-SFTDATJTSA-N 483.617 2.011 30 10 JEEE COc1ccc(Br)c(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@]2(OC)CCOC2)c1 1697320687 AUZXEWRXVSRKLL-YWZLYKJASA-N 478.347 2.250 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@]1(O)CCSC1)[C@H]1CCS(=O)(=O)C1 1705561456 UDHBJYSHFPBLKV-SGXKBVARSA-N 494.614 2.052 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CCCN1CCN(CC)CC1)[C@@H]1CCS(=O)(=O)C1 1705563164 RQRNALHJYGITCK-XMMPIXPASA-N 498.697 2.162 30 10 JEEE C#CCN(c1nnc(C2CCC2)n1C[C@H](c1cccc(OC)c1)N(C)C)[C@H]1CCS(=O)(=O)C1 1705566279 MDUBTOADTDXQGQ-RBBKRZOGSA-N 471.627 2.484 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CCCCN1CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1705569236 FGLIBDRNSNMXPL-GGAORHGYSA-N 484.670 2.403 30 10 JEEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H]1CCCS(=O)(=O)C1 1705581518 DIAXCPJTSMDVQB-LJQANCHMSA-N 489.642 2.290 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H](C)N1CCN(CC)CC1 1705587670 DWFYIFRIQYKRDT-VSKRKVRLSA-N 483.661 2.148 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CC1(C(=O)N(C)C)CCCC1 1705627088 UXJNHSXSKQZQEP-UHFFFAOYSA-N 477.569 2.329 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@]2(C)CN(C)C2=O)CC1 1705645181 NDMHJWXWJXHVPW-HSZRJFAPSA-N 454.962 2.043 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccc(C(F)(F)F)c2)CC1 1705647346 FQFQCSQBNJWLBD-SFHVURJKSA-N 474.487 2.262 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CC(C)(C)N2C[C@H](C)O[C@H](C)C2)CC1 1705648955 FFTIBFLEUIPOHI-BGYRXZFFSA-N 481.645 2.137 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCCN1C1CC1 1705716314 GYVSOLLXVVNQHV-PMACEKPBSA-N 466.652 2.030 30 10 JEEE C=CCCOCCn1c(-c2noc3c2COCC3)nnc1N1CCN(CC(F)(F)F)CC1 1705829105 HOXLENQIRYYSCX-UHFFFAOYSA-N 456.469 2.283 30 10 JEEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1nccn1C(F)F 1705836962 LTTQIIFUZKENCF-UHFFFAOYSA-N 451.503 2.458 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(OCC(C)C)c1 1705843802 NXMVXFIEIGZYPT-FQEVSTJZSA-N 463.604 2.316 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1705896335 JNPZJURDPMPPKM-INIZCTEOSA-N 482.404 2.023 30 10 JEEE C=CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCNC(=O)[C@H]1CC 1705939352 CWVKNECDMQWPEO-QGZVFWFLSA-N 463.007 2.496 30 10 JEEE CC(=O)NC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)c2c(C)noc2C)CCO1 1706054863 HWFIEFPCVSZYAP-AOMKIAJQSA-N 493.568 2.479 30 10 JEEE C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C(N)=O)C1)N(C)C(=O)OC(C)(C)C 1706782782 DSNHKBZSFYPPJC-MAUKXSAKSA-N 453.547 2.384 30 10 JEEE C#CCCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2cncc3nc(C)nn23)CC1 1722306538 KYSOXDFKLBGRME-UHFFFAOYSA-N 478.605 2.073 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccccc2Br)n1CCCS(C)(=O)=O 1722424219 GGWQGHWGTQYSSA-UHFFFAOYSA-N 455.378 2.228 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)ccc3Br)n2C[C@@]2(OC)CCOC2)CC1 1722434509 TXMRGWVGHBTQNO-QFIPXVFZSA-N 490.402 2.277 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1CCCN1C[C@H](C)O[C@@H](C)C1 1722466393 SXCHCCDHBBKOQX-AXHZCLLHSA-N 451.575 2.417 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC)nnc1N1CCN(CC(=O)NCc2ccccc2)CC1 1722509265 MOHOKTLPOUWSGO-URXFXBBRSA-N 452.603 2.260 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC2(S(C)(=O)=O)CCCC2)C1 1722710090 DCFSCVWDBVJVAK-CVDCTZTESA-N 482.647 2.457 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H]1c1ccc(OC)cc1OC 1722727755 QNHVFPFOAZMZBC-MOPGFXCFSA-N 489.598 2.189 30 10 JEEE CC[C@H](C)NC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1727102957 DDJVAIUTRMOPGZ-OSWQYVSFSA-N 482.585 2.418 30 10 JEEE CN(CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCO[C@@H](C#N)C1)C(=O)OC(C)(C)C 1729533271 BVYUTNBIIXGZSF-LPHOPBHVSA-N 470.530 2.386 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1CCCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1740628787 UFNDQWGCQIRVMA-IBGZPJMESA-N 475.590 2.109 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@H]1NC(=O)CC1(C)C 1740683929 HDSPDQAZWCSCOT-HXUWFJFHSA-N 491.596 2.237 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](C)COc2ccccc2OC)CC1 1740704853 VAMBAPBSBATLFM-LJQANCHMSA-N 491.596 2.368 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCO[C@H](C)c2ccccc2)CC1 1740705012 AKYZTTZVDOWYQM-KNQAVFIVSA-N 478.597 2.363 30 10 JEEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1740724202 ZITMJGMIAIEFTF-NPPFBWRTSA-N 450.605 2.143 30 10 JEEE C=CCCOCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1740885751 NKEDACWLONGZEI-IBGZPJMESA-N 484.605 2.322 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CCN(C(=O)OCC)CC1 1740955181 YBUOGDBRBXCMGY-UHFFFAOYSA-N 483.392 2.350 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@]2(C)COCCO2)C1 1740970417 KVWWEHOQMGZDKJ-AUSIDOKSSA-N 475.977 2.448 30 10 JEEE C#CCCCn1c(Cc2ccccn2)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1748755817 DBVZYUWBUXYXQG-UHFFFAOYSA-N 464.595 2.329 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCN(C)C1CCCC1)[C@@H]1CCS(=O)(=O)C1 1748810136 ZNBLVYLITKOBLO-OAQYLSRUSA-N 471.627 2.455 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCCCC1 1748964633 LGKSKVCIYRILHT-FQEVSTJZSA-N 476.622 2.158 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N(C)CC(=O)N1CCOCC1 1749125720 XGVILULMJMATTG-WZONZLPQSA-N 485.585 2.239 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCC(=O)NC(C)C)C1 1749711800 CQMIMQMSCNSRIY-FQEVSTJZSA-N 468.606 2.148 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)[C@H](C)c1ccc([S@@](C)=O)cc1 1749721931 WZEDUZBSZZBTOG-HYJWCJBQSA-N 493.655 2.050 30 10 JEEE Cc1ccc(NC(=O)c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@](C)(O)c2ccco2)cc1C 1751544234 DUYCISHSVHABOS-FDDCHVKYSA-N 450.499 2.377 30 10 JEEE Cc1cccc(-c2nnc(N3CCN(c4nccnc4C#N)C[C@H]3C)n2C[C@](C)(O)C(C)C)n1 1751621196 CFJFKGAHXLNLJG-KOSHJBKYSA-N 461.574 2.432 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OCC(F)(F)F)cc1 1760098043 NPCWWMPUWKFQIN-KBPBESRZSA-N 459.494 2.336 30 10 JEEE C#CCCCn1c(COc2cccc(C)c2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1760159046 VRESOQFQZRXPDC-UHFFFAOYSA-N 484.582 2.219 30 10 JEEE C#CCN(c1nnc(-c2ccc3ccccc3n2)n1CCNC(=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1760183650 CNRJQHGRACSEOF-LJQANCHMSA-N 494.621 2.282 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1[C@H]1C[C@H](c2ccccc2C)C1)[C@@H]1CCS(=O)(=O)C1 1760184427 XDZBSQWSSQKFBF-VAMGGRTRSA-N 469.611 2.470 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCC1(O)CCOCC1 1760233485 XHMCEHQTQSPYPD-UHFFFAOYSA-N 464.570 2.456 30 10 JEEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CC(F)(F)C2(OC)CCOCC2)CC1 1760263055 MBFSYSYVIVZKMK-UHFFFAOYSA-N 480.585 2.220 30 10 JEEE C#CCSCCn1c(N2CCN(CC3CCOCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1760286136 CSGNEKKOGMLTDW-XMMPIXPASA-N 477.675 2.234 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)CCS(C)(=O)=O 1760319325 MHALFHCNNLUHBC-XLIONFOSSA-N 464.588 2.424 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccn2C)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1760320927 ZNTIZUXFLNFQKB-OFNKIYASSA-N 469.634 2.255 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1760334359 JNLCQPVZIBAAKD-XSYGEPLQSA-N 458.607 2.342 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCC1CCOCC1 1760412237 ISCGNHZAPGZVRO-IBGZPJMESA-N 469.652 2.466 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCNC(=O)C1)C(C)C 1760490051 OXILVLKCLGUSPD-DENIHFKCSA-N 466.586 2.425 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1760517061 BCQXBUMKDXBEQD-UHFFFAOYSA-N 481.557 2.384 30 10 JEEE C=CCS(=O)(=O)CCn1c(C)nnc1N(CCO)Cc1cc(Br)ccc1F 1760550545 AWPXJSCZTRXKPY-UHFFFAOYSA-N 461.357 2.088 30 10 JEEE COc1ccccc1OC[C@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1 1768960690 BZXNBNVCYHRKBQ-JLHGSKIFSA-N 477.562 2.346 30 10 JEEE COC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCOC[C@H]2C)CC1 1769499303 ADTJRZDTSZXXON-MJGOQNOKSA-N 454.531 2.290 30 10 JEEE CC1(C)O[C@H]2C=C3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1 1775963604 ZVWJSYRCACWRNS-COWPRHHUSA-N 450.478 2.287 30 10 JEEE CC(=O)N1CCCc2cc(S(=O)(=O)N3CC[C@@H](NC(=O)c4cccc(C#N)c4)C3)ccc21 1858329560 JUFYDUTUYUFIDW-HXUWFJFHSA-N 452.536 2.050 30 10 JEEE COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCNC=O)cc1OC 1862610250 GODIVSMBTSULEK-JOCHJYFZSA-N 482.489 2.189 30 10 JEEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccc(O)c([N+](=O)[O-])c1 1862610555 NYGUQOOENJANKC-NSPYISDASA-N 456.407 2.031 30 10 JEEE N#Cc1ccc(COc2cn(CCc3cnc[nH]3)c(CN3CCN(c4ncccn4)CC3)cc2=O)cc1 1870349130 BETOEWUSMXDYNN-UHFFFAOYSA-N 496.575 2.377 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCCN(CC)CC)cn1C[C@H]1CCCO1 1870534487 GMBXOZMGTGMUNX-JOCHJYFZSA-N 460.619 2.038 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)OCCCC)cn1CCCN1CCOCC1 1870764613 RIWVOIREZGIXPK-UHFFFAOYSA-N 461.603 2.467 30 10 JEEE COc1cc(Br)cc(C(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)c1 1889437156 HZBWSLDMSNJVHN-UHFFFAOYSA-N 464.404 2.330 30 10 JEEE CCN(CC)c1cccc(OCC#CCNC(=O)[C@H]2CCCN2S(=O)(=O)c2c(C)noc2C)c1 1891125583 XCOQZAPZZRUXNX-JOCHJYFZSA-N 488.610 2.489 30 10 JEEE COc1ccc(-c2ccc(=O)n(CC(=O)NCC#CCN(C)Cc3ccccc3)n2)cc1OC 1891774008 LYDFDDFURRWDJT-UHFFFAOYSA-N 460.534 2.179 30 10 JEEE C=C(CNC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CC(C)(C)S1(=O)=O)B1OC(C)(C)C(C)(C)O1 1892657264 GCUILIXBDCCHGK-OAHLLOKOSA-N 472.413 2.103 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](C(=O)NCc2cccc(B3OC(C)(C)C(C)(C)O3)c2)C[C@@H](O)C1 2180991731 QMNLIOQTOZVASL-PKOBYXMFSA-N 460.380 2.220 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@H](NS(=O)(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2255950320 LFJKJHAZUDMUHY-WKILWMFISA-N 452.382 2.320 30 10 JEEE CC(C)(C)OC(=O)N[C@](C)(CO)CNC(=O)c1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2267406018 TYUXVVPPMJASRD-QFIPXVFZSA-N 452.332 2.130 30 10 JEEE Cn1nc(C(=O)NC[C@H]2CCN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2267502180 JZHCTPFGBHRPHT-CYBMUJFWSA-N 468.791 2.360 30 10 JEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 2267510704 PPTHUPWURPDQRE-HNNXBMFYSA-N 450.341 2.253 30 10 JEEE CC(C)[C@@](C)(CNC(=O)OC(C)(C)C)NC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2267523582 DRTCYZSJGFTGOM-JOCHJYFZSA-N 450.389 2.389 30 10 JEEE CC1(C)OB(c2nscc2C(=O)NC2(CN)CCN(Cc3ccccc3)CC2)OC1(C)C 2267544909 ATEOHMDPPQGOMA-UHFFFAOYSA-N 456.421 2.166 30 10 JEEE CNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(C)cc1B1OC(C)(C)C(C)(C)O1 2267708013 BWJIKVFMTZFFMV-UHFFFAOYSA-N 458.389 2.231 30 10 JEEE C[C@@H](CCCN(C)C(=O)OC(C)(C)C)N(C)C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2281952224 TXXYOTLITAYPAL-HNNXBMFYSA-N 465.404 2.222 30 10 JEEE Cc1nn(C)c(C(=O)NC[C@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2281990100 IXXDANMXHYOOGT-HOTGVXAUSA-N 462.400 2.451 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)CC1(C)C 2282044478 URSLSLGOYRHXGG-INIZCTEOSA-N 462.400 2.485 30 10 JEEE CC(C)(C)OC(=O)N1CC[S@](=O)(=NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C(C)(C)C1 2282097363 DTUKOAXYEJGWBO-MGBGTMOVSA-N 482.412 2.346 30 10 JEEE C[C@H](NS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2282287765 FCZZXUONCCLVPV-HOTGVXAUSA-N 481.424 2.305 30 10 JEEE C=C(CCNC(=O)OC(C)(C)C)CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)c(CC)nn1C 2282564602 XBBHBECIYOBGBP-UHFFFAOYSA-N 462.400 2.483 30 10 JEEE CC1(C)OB(c2ccc(C(=O)NCC[C@H]3CN(Cc4ccccc4)CCO3)nc2)OC1(C)C 2282705958 FSKBLNBXOARZRN-NRFANRHFSA-N 451.376 2.402 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1[C@@H](NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)C2 2282709671 FDIXWEWXOCASNA-XIRDDKMYSA-N 458.368 2.294 30 10 JEEE COC[C@]1(C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)CCCN1C(=O)OC(C)(C)C 2283950821 PHBCUFDOUIDCCH-QFIPXVFZSA-N 481.424 2.475 30 10 JEEE CO[C@H]1C[C@@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)N(C(=O)OC(C)(C)C)C1 2283955589 MKAYPGJWWZPRLZ-HOCLYGCPSA-N 465.331 2.483 30 10 JEEE CC(C)(C)OC(=O)N1CC(O)(CC(=O)N2CCc3sc(B4OC(C)(C)C(C)(C)O4)cc3C2)C1 2283984901 BUPIQDMZAULKIR-UHFFFAOYSA-N 478.420 2.304 30 10 JEEE C[C@H](C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F)N1CC(NC(=O)OC(C)(C)C)C1 2284055403 SLOWNRYPYKWUNH-CYBMUJFWSA-N 464.347 2.056 30 10 JEEE CC(C)(C)OC(=O)N[C@H](C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F)C(C)(C)O 2285183618 BFUPMYXGLZMXCD-QGZVFWFLSA-N 466.359 2.405 30 10 JEEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)NCCc1c(F)cccc1B1OC(C)(C)C(C)(C)O1 2289652912 AICNQIRBVIJPRQ-RDTXWAMCSA-N 466.359 2.058 30 10 JEEE CCO[C@@H]1C[C@H](NC(=O)OC(C)(C)C)[C@@H]1NC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2337403412 OHYSQBHVZVQRHS-ZNMIVQPWSA-N 467.397 2.243 30 10 JEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CC(=O)N2CC[C@@H](B3OC(C)(C)C(C)(C)O3)C2)C1 2342541756 SOQJAMLEOCVZPA-HZPDHXFCSA-N 472.413 2.105 30 10 JEEE CC(C)(C)OC(=O)N1CCN(CCCN=c2cc(B3OC(C)(C)C(C)(C)O3)c(F)c[nH]2)CC1 2372004951 WKKUBTBFRRQLDI-UHFFFAOYSA-N 464.391 2.297 30 10 JEEE CCOC(=O)c1sc(NC(=O)CSc2n[nH]c(N/N=C/c3cn(C)nc3C)n2)c(C#N)c1C 20424100 VENIHTFLKPPNAL-QPSGOUHRSA-N 487.571 2.442 30 10 JEEE C=CCn1c(CN(CCN2CCOCC2)C(=O)C2CC2)cnc1S(=O)(=O)Cc1ccccc1 36031094 SGYFSFQGHYJCFB-UHFFFAOYSA-N 472.611 2.114 30 10 JEEE COCCn1cc(/C=N/Nc2nnc(SCC(=O)Nc3cccc4ccccc34)n2N)cn1 59913991 OVJBONUUZPKMIP-FOKLQQMPSA-N 465.543 2.165 30 10 JEEE CO/N=[N+](\[O-])CC(=O)N1[C@@H](C)CN(S(=O)(=O)c2ccccc2)[C@@H]1c1cccc([N+](=O)[O-])c1 103936685 YMYFKDXMIMAUOP-OYERUFNISA-N 463.472 2.039 30 10 JEEE CO/N=[N+](\[O-])CC(=O)N1CCCN(S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1cccc([N+](=O)[O-])c1 103937095 OHCXISRZUOBOIE-CCCHMHNHSA-N 477.499 2.349 30 10 JEEE C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]1CNc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 204868914 RROVCIJUMMIXDQ-NVXWUHKLSA-N 475.399 2.092 30 10 JEEE O=S(=O)(c1ccc(Cl)c(NC(=S)NN=Cc2ccc(O)cc2O)c1)N1CCOCC1 254500239 JAEURVFJSXAWQL-UHFFFAOYSA-N 470.960 2.093 30 10 JEEE C=CCSC1=NC(=O)C2=c3cc(Br)ccc3=N[C@H](c3ccccc3[N+](=O)[O-])N2N1 588226638 GEIIXVDIWOZUBY-KRWDZBQOSA-N 472.324 2.420 30 10 JEEE CCCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccc(Cl)cc1 729668568 NQKOFARTEKKECY-UHFFFAOYSA-N 463.950 2.229 30 10 JEEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccc(OC)nc1 729672621 YMIPCHIKYNXVAO-OAHLLOKOSA-N 459.531 2.069 30 10 JEEE Cc1nn(C(C)C)c(C)c1C=NNc1nnc(SCC(=O)Nc2ccccc2[N+](=O)[O-])n1N 1083909191 DMOYJLKAWDIRGM-UHFFFAOYSA-N 472.535 2.471 30 10 JEEE C=CCN1CC[C@H](N(C)C(=O)c2cccc(S(=O)(=O)N3CCc4sccc4C3)c2)C1=O 1139239107 HACZNVIESSIUQA-IBGZPJMESA-N 459.593 2.354 30 10 JEEE CC(C)N(C)S(=O)(=O)c1cccc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c1 1153857967 GMUIGKYVZLFFQL-SJLPKXTDSA-N 450.561 2.204 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1C[C@H](C)CNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1286384320 HRHZSKVFILWOKX-IAGOWNOFSA-N 467.636 2.363 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1CCc1nccs1)[C@H]1CCS(=O)(=O)C1 1286391384 CZQKQXWSBOAIHQ-KRWDZBQOSA-N 459.572 2.334 30 10 JEEE C#CCN(CCOC)c1nnc(Cc2ccncc2)n1C[C@@H]1C[C@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1286466968 OVBLWLBIZUJBJQ-FDFHNCONSA-N 496.612 2.374 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C)(COC)CC1 1286554163 GXHBSTMOMDFHIT-OTWHNJEPSA-N 452.621 2.414 30 10 JEEE C=C(Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(NC(=O)COC)CC1)c1ccccc1 1286620014 YXSLLDBHOALMIE-REWPJTCUSA-N 469.586 2.447 30 10 JEEE C=CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1286688256 VQDCLTIPZFZOCO-UXHICEINSA-N 467.636 2.159 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1286779855 NTCIGKQFUXTLIF-BTYIYWSLSA-N 476.375 2.394 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCN(CCOC)[C@H](C)C1 1286783825 MZMMSQHSGATCKX-OAHLLOKOSA-N 495.397 2.306 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC[C@@H](C(F)F)C1 1286786256 AFDPIQWHBFPUJH-OAHLLOKOSA-N 471.512 2.459 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ccc(F)cc2C)C1 1286808246 BBNNFDHBTHEUCK-NHCUHLMSSA-N 493.605 2.083 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccccc2S(=O)(=O)N(C)C)C1 1286811115 ZTFBHNHABCFGLK-WOJBJXKFSA-N 475.615 2.252 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCc2ccc(OCC)cc2C1 1286818820 PJOCTFUENRUOOW-UHFFFAOYSA-N 454.556 2.297 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1286822580 GNOHCCUJOJEBIA-DLBZAZTESA-N 482.946 2.225 30 10 JEEE C[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)c2ccccn2)CC1)N(C)C 1288672710 BGBBJOMAQYONIC-LJQANCHMSA-N 474.569 2.036 30 10 JEEE C[C@](O)(Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1)c1ccco1 1288895755 FMIFVCGYKBGUCZ-MBSDFSHPSA-N 484.582 2.083 30 10 JEEE CNC(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2nccc(C(F)F)n2)C1 1299095335 GZOISZFHNUEYOL-INIZCTEOSA-N 482.495 2.467 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3csc(C)n3)n2C[C@@]2(C)COCCO2)c1 1300334956 XFSQDZAZILPYFR-DEOSSOPVSA-N 480.594 2.496 30 10 JEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccccc2CC1 1300365412 WPUNGGRDYJFQFN-NRFANRHFSA-N 457.600 2.020 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCc1ccccc1C)[C@@H]1CCS(=O)(=O)C1 1300479073 HSTIXJUKGYAOCC-HXUWFJFHSA-N 478.578 2.103 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CC(=O)N(C)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 1300484498 STHZQNIZXQNYQN-NRFANRHFSA-N 499.637 2.372 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1CCCOC)[C@H]1CCS(=O)(=O)C1 1300488906 HYGTXFHVBVAOME-INIZCTEOSA-N 452.964 2.270 30 10 JEEE C#CCN(c1nnc(-c2ccc(OCCC(C)C)cc2)n1Cc1nncn1C)[C@@H]1CCS(=O)(=O)C1 1300489743 ROBOGLMJJOKARZ-HXUWFJFHSA-N 497.625 2.174 30 10 JEEE C#CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](C)C1 1300763406 PBSQDZVCXQDMCB-DLBZAZTESA-N 451.593 2.178 30 10 JEEE C#CCSCCn1c(N2CCC(NC(=O)C3CC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1300777750 BWTBCYOGPKVACS-HSZRJFAPSA-N 461.632 2.180 30 10 JEEE C#CCSCCn1c(N2CCN(C(=O)OC(C)(C)C)CC2)nnc1[C@@]1(OCC)CCOC1 1300778179 OQIBECGHSPXTAN-JOCHJYFZSA-N 465.620 2.354 30 10 JEEE C=CC1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCCN(CC)S(C)(=O)=O)CC1 1301120092 HIFPSSZMAAKGGR-UHFFFAOYSA-N 499.641 2.266 30 10 JEEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(NC(=O)COC)CC1 1301206548 FCUVYQAVMVIROG-UHFFFAOYSA-N 461.588 2.046 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CC[C@@]2(CNC(=O)C2)C1)C(C)C 1301367218 LQOOFNPAVRVYBF-GBXCKJPGSA-N 452.607 2.094 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCc2nn(C)c(=O)cc2C1)C(C)C 1301367945 WGPKYWJCHAIRJO-JOCHJYFZSA-N 477.617 2.034 30 10 JEEE COCC[C@@](C)(O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1301433159 CIYDHEAWGNBQGP-CJFMBICVSA-N 491.552 2.162 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1301477921 FUUJXGAGRXEWLZ-ZWKOTPCHSA-N 472.977 2.027 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(c2cc(F)cc(F)c2)CC1 1301596127 IHYCZSSWLIXFFA-LJQANCHMSA-N 467.542 2.335 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@]1(N(C)C)CCSC1 1301956300 IDKDBCWYNNCCAR-JTSKRJEESA-N 491.687 2.229 30 10 JEEE CCCCN(C)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1306684020 FOFOVAZLLUNECK-NHCUHLMSSA-N 451.575 2.411 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)N2CCc3c(cccc3N3CCOC3=O)C2)C1 1312467924 DAZXJCGESICKKE-AEFFLSMTSA-N 455.515 2.470 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2CC(C)(C)C(=O)NC)c1 1358903460 XOVGZPIRUOWSFH-UHFFFAOYSA-N 459.554 2.092 30 10 JEEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1358922014 QIVMMRNFEKQOAF-OAHLLOKOSA-N 450.362 2.076 30 10 JEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](C)CNC(=O)OC(C)(C)C 1358946554 ZMLLXGRUESCOFE-MRXNPFEDSA-N 475.619 2.468 30 10 JEEE C#CCN(c1nnc(-c2cccc(Br)c2)n1C[C@@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1358957156 QJOYEULAAPBYDN-QAPCUYQASA-N 480.432 2.284 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCc2cccc3[nH]ccc23)CC1 1359039998 DVLMAOPFXXCGDZ-UHFFFAOYSA-N 461.570 2.106 30 10 JEEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(c2cnn(C)c2)CC1 1359210393 RWDVOYMPYIMBPX-UHFFFAOYSA-N 484.630 2.222 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2CCOC[C@@H]2OC)C1 1359315525 WLJIYIMYTHJDSF-SBHAEUEKSA-N 476.599 2.181 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCCO[C@@H](C)C1 1359328231 XMQIJWRWYBMOCI-INIZCTEOSA-N 480.587 2.187 30 10 JEEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1359341354 UNCJQNLBVSYKRF-LJQANCHMSA-N 472.663 2.121 30 10 JEEE CC(=O)N1CC[C@H](CN(C)c2nnc(Cc3ccccc3C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1359361513 DZQWOGWHFCSEIF-CPSPCKPPSA-N 491.596 2.008 30 10 JEEE C[C@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccccc1N1CCOCC1 1359465404 BKJWXSXLEHHENK-GOSISDBHSA-N 460.542 2.406 30 10 JEEE C[C@H](CC#N)NC(=O)CCNS(=O)(=O)c1cc(Br)ccc1Br 1443765623 AEOSGUZEXUCXNA-SECBINFHSA-N 453.156 2.298 30 10 JEEE CCNC(=O)C1(Cn2c(-c3ccc(C#N)cc3)nnc2N(CC)[C@@H]2CCS(=O)(=O)C2)CCC1 1502397547 DKZVRQQFZROUIN-LJQANCHMSA-N 470.599 2.137 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1cccc(OCC(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 1507632484 MAJKUMCXHZGFQN-MSOLQXFVSA-N 498.527 2.398 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@@H]1CCO[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1507634519 KVGNAOJEROTTMD-QKNQBKEWSA-N 472.611 2.319 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H](C)CN1CCN(CC)CC1 1507659378 TUCHCCSNVDIOBO-RJGXRXQPSA-N 497.688 2.395 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN(C)C(=O)OC(C)(C)C 1507664376 LHHCGBVLHRKISP-UHFFFAOYSA-N 475.557 2.251 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(N(C)C)c(F)c2)CC1 1507738984 KCGBWSOZUWDXOX-FQEVSTJZSA-N 468.577 2.391 30 10 JEEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](c2nnc(C(C)C)o2)C1 1507774885 DRPHEWUJJXNMBK-CYBMUJFWSA-N 468.356 2.409 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cc(OC)c(OC)cc1C 1507831754 DIZXVCUAUADIPU-FQEVSTJZSA-N 479.603 2.149 30 10 JEEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2ccc(F)c(F)c2)C1 1507852698 CEGWNIDNOJBGKU-BLLLJJGKSA-N 461.922 2.497 30 10 JEEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1507927245 ZOOUXDWMWDMJRT-MRXNPFEDSA-N 469.681 2.248 30 10 JEEE C=CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCc2nn(C)c(=O)cc2C1 1507953611 HONHBLYSKTWTEB-LJQANCHMSA-N 485.589 2.209 30 10 JEEE N#Cc1nc(NC(=O)c2sccc2S(=O)(=O)N2CCOCC2)ccc1Br 1529891161 BVNXVETZCRUMGK-UHFFFAOYSA-N 457.331 2.050 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCc1cnn(C)c1 1538983483 SRUKJSGWMABABQ-QGZVFWFLSA-N 455.588 2.020 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccnc(OCC(F)(F)F)c1 1539324372 SYZYDMYYPYIMAB-QGZVFWFLSA-N 481.500 2.028 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1C[C@H](F)CN1Cc1cccs1 1539326607 XSLCLGFTWROZOD-AABGKKOBSA-N 489.642 2.317 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCOC[C@H]2CCCO2)CC1 1539469528 BKTGOHGVTVOJOR-HSZRJFAPSA-N 476.581 2.368 30 10 JEEE C=C(C)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1539685283 ZDMXMEIDMFCZNV-NRFANRHFSA-N 498.628 2.374 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1540864874 NVSXLJKWWXNMEY-UHFFFAOYSA-N 496.612 2.493 30 10 JEEE CC(C)N1CCC[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)C1 1541620636 GLNMVLPVEZGQLF-FPOVZHCZSA-N 485.658 2.407 30 10 JEEE CCCC(=O)NC[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCOCC2)C1 1546831154 GWXYHRNOYBDNBJ-OAQYLSRUSA-N 496.612 2.403 30 10 JEEE CCN1CCC[C@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)[C@@H](C)CC#N 1547671997 BYZWTOYIRMBLME-HKUYNNGSSA-N 459.620 2.418 30 10 JEEE CCO[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCN(C)S(=O)(=O)CC)C1 1548049204 GUIKPPKJOYDULV-FQEVSTJZSA-N 460.604 2.494 30 10 JEEE C#Cc1cccc(NC(=O)NC(=O)CN2CCOC3(CCN(C(=O)OC(C)(C)C)CC3)C2)c1 1560194195 HGYIZEKCIYWJCV-UHFFFAOYSA-N 456.543 2.418 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(C(=O)NCC)CCC1 1587639460 LWUAJBRUEUTAKL-MSOLQXFVSA-N 474.606 2.351 30 10 JEEE C#CCCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1587754719 KENGRMUGRKTMCY-UHFFFAOYSA-N 490.612 2.388 30 10 JEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1587879578 WKZJHAKLSUBGAG-UHFFFAOYSA-N 469.615 2.411 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC(C)(C)OC)[C@@H]1CCS(=O)(=O)C1 1588074991 VJALJPQUPFGGAF-MSOLQXFVSA-N 495.646 2.402 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CCC(C)(F)F)CC1 1588924163 VUFUPBIQVLEZRC-UHFFFAOYSA-N 493.584 2.249 30 10 JEEE C#CCSCCn1c(COc2ccccc2CC)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1589116013 AXJDVKLGDQBHTA-SFHVURJKSA-N 477.656 2.256 30 10 JEEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1ccc(O)cc1 1594813195 QGLWZXCCPFENJI-SFTDATJTSA-N 491.614 2.251 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(CC3CCCC3)n2CCS(=O)(=O)N2CCSCC2)C1 1595744982 PSLWRYQEWMUOKS-LJQANCHMSA-N 469.677 2.171 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCOC[C@@H]2C[C@@H](O)c2cccs2)s1 1622827614 NILSANLMEIQFKV-GOEBONIOSA-N 456.611 2.168 30 10 JEEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ncc(Cc3cccc(Cl)c3)s2)CC1 1622833630 KWHSQPMTXUUIOE-UHFFFAOYSA-N 453.977 2.004 30 10 JEEE N#C[C@@H]1CN(S(=O)(=O)C2CN(C(=O)OCc3ccccc3)C2)CCN1Cc1ccccc1 1661508527 DCKYMPLCLDUESO-OAQYLSRUSA-N 454.552 2.047 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@](C)(O)[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1689982594 QJCGBAIGASXLJL-WGGBDISSSA-N 455.584 2.241 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@H](C)N(C)C1CC1)[C@@H]1CCS(=O)(=O)C1 1689983791 HSAZPJPQALLLFP-FXAWDEMLSA-N 457.600 2.063 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCC(=O)N1CCOCC1 1690086021 NOYSBAXQVPAKQD-SFHVURJKSA-N 460.579 2.059 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C 1690092644 PKQPCTPONQFENZ-RBUKOAKNSA-N 474.606 2.246 30 10 JEEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H](Cn2cccn2)C1 1690161948 WJFPDAVCOICQDX-IBGZPJMESA-N 453.528 2.322 30 10 JEEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1690234984 TVCABMGIACYQMX-NXOAAHMSSA-N 457.369 2.295 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1690343986 IUXUOROOOKSTCX-GOSISDBHSA-N 451.015 2.496 30 10 JEEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C(=O)OC)CC1 1690474167 UMDDBQIPAZVCAZ-UHFFFAOYSA-N 462.576 2.050 30 10 JEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C(C)(C)O)c1)C1CC1 1690544776 AQZGIUGIWATHAV-HXUWFJFHSA-N 475.615 2.042 30 10 JEEE C=CCn1c(-c2ccc(OC)cc2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1690636422 ZLUNCSYMQLEMFP-UHFFFAOYSA-N 460.585 2.416 30 10 JEEE C=CCNC(=O)Cn1c(N2CCCO[C@H](c3ccccc3)C2)nnc1[C@]1(OCC)CCOC1 1690677034 LCRDFTKNRPATDZ-RDPSFJRHSA-N 455.559 2.200 30 10 JEEE C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CCS(=O)(=O)C1 1692828487 AIZRYPDPTIRFSQ-RLFYNMQTSA-N 465.963 2.235 30 10 JEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(NC(=O)C2CC2)CC1 1705527319 ZLSDDFHCUPOKSN-UHFFFAOYSA-N 484.626 2.104 30 10 JEEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1cccc(-n2cncn2)c1)[C@@H]1CCS(=O)(=O)C1 1705562319 ZUDPLOWGBLOSET-FXAWDEMLSA-N 453.572 2.047 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1Cc1oc(CC)nc1C)[C@H]1CCS(=O)(=O)C1 1705563303 UWCFUCGFXVUOOJ-KRWDZBQOSA-N 499.593 2.496 30 10 JEEE C#CCN(c1nnc(C2CC2)n1C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1705567086 TZSNORZDFABPLP-PKOBYXMFSA-N 477.631 2.429 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCN(C)[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1705570183 KZPUGRVOXXLGSM-GHTZIAJQSA-N 461.607 2.365 30 10 JEEE C#CCN(CC)c1nnc([C@H](C)OCCOC)n1C[C@@H]1C[C@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1705605003 YUWLDUGFZCHYLA-MUGJNUQGSA-N 477.606 2.486 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCC2(C1)OCCO2 1705619164 JBPQWLOAMIEDAU-PKOBYXMFSA-N 491.589 2.210 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@]1(OC)CCOC1 1705627767 OZBGVGNWWUEVEA-DVECYGJZSA-N 477.606 2.284 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H]2CCCO2)CC1 1705645685 ACPVTVBHMKYUQP-IBGZPJMESA-N 453.543 2.107 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccccc2COCC)CC1 1705647792 KJHSPLWTDKLLJL-JOCHJYFZSA-N 451.571 2.333 30 10 JEEE C=CCn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1705891452 GDMGGCQCSRPAAZ-SFHVURJKSA-N 453.547 2.433 30 10 JEEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCN([C@@H](C)c2nc(CC)no2)CC1 1705907594 RCVGHIGNMWENFW-KRWDZBQOSA-N 456.595 2.142 30 10 JEEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1705939410 DJADDHRRXBPPFE-UHFFFAOYSA-N 462.542 2.230 30 10 JEEE CC(C)(Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](C#N)C1)NC(=O)OC(C)(C)C 1706196614 AAVNTVYYAGZPOR-OAHLLOKOSA-N 489.602 2.302 30 10 JEEE CNC(=O)[C@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N2CCCCCC2)C1 1711324754 FFYHPRJVCCUEQK-AREMUKBSSA-N 493.612 2.484 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCC(=O)N2)n1CC[S@](=O)C(C)(C)C 1712442578 BWNBVOYEMHDAEG-ASPBEGMCSA-N 472.615 2.301 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@H]1CCCN1CCCO 1722296087 ZPFZSIKFNKQUDR-WOJBJXKFSA-N 477.613 2.370 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](C1CC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1722371757 XZFUCTGMZRMVOQ-XRXFAXGQSA-N 477.675 2.164 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1CCN1CCC[C@H]1C 1722417764 SEUDJPLEDUBNNT-MSOLQXFVSA-N 462.595 2.152 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2C[C@@]2(O)CCSC2)CC1 1722431993 UQOGYFMEWIPVFS-CYFREDJKSA-N 471.627 2.440 30 10 JEEE C=CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1nnc2n1CCCCC2 1722679012 KYHRZEDSTUKGHE-UHFFFAOYSA-N 485.614 2.354 30 10 JEEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1722683699 WHXYGRPXESGZMD-VGSWGCGISA-N 461.588 2.156 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(c2cccc(OC)c2)CC1 1722737109 TVPYXBAAMARUKG-HXUWFJFHSA-N 461.588 2.066 30 10 JEEE CC(C)NS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CCC(CC#N)CC1 1723661696 CABDIYINSFAVEZ-UHFFFAOYSA-N 464.567 2.454 30 10 JEEE C#CCN(c1nnc(CCCc2ccccc2)n1CCNC(=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1740625431 QNMHLSNROCGWDF-OAQYLSRUSA-N 485.654 2.242 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H](c1ccccc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1740628906 WEZVJSAYEJJAKM-PCCBWWKXSA-N 457.600 2.059 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2CC[S@@](=O)C(C)(C)C)CC1 1740700389 RHQYPEXYIAAHQK-JGCGQSQUSA-N 459.616 2.168 30 10 JEEE C=CC[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)N2CCOCC2)CC1)c1ccccc1 1740855751 WZOBDDJJMIRXMR-QFIPXVFZSA-N 495.628 2.350 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)N1CCOCC1 1740913776 HHIOVUFKLAJOOM-PZJWPPBQSA-N 489.642 2.102 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(Cc2cc(C)no2)CC1 1740988845 RGNADLKYZISHAO-UHFFFAOYSA-N 492.005 2.213 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1740989111 AFSVMDJICJXJIU-UHFFFAOYSA-N 476.006 2.259 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1740991116 OVUNQJALWDYPMX-LJQANCHMSA-N 477.562 2.113 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1CCN(C)C1CCCC1 1741904724 CSFNBLFTDWFEON-QGZVFWFLSA-N 459.620 2.271 30 10 JEEE Cc1c(Cn2c(COc3ccc(Br)cc3)nnc2N2CCO[C@@H](C#N)C2)cnn1C 1742082285 HVHYCYOBNGCBFM-SFHVURJKSA-N 472.347 2.439 30 10 JEEE CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1745893762 CJQBWLYJCJCXQW-INIZCTEOSA-N 479.507 2.280 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@]1(C)CCCO1)[C@H]1CCS(=O)(=O)C1 1748807880 DAGJTVMSZHTWDG-GHTZIAJQSA-N 459.528 2.049 30 10 JEEE C#CCN(c1nnc(-c2cc(F)ccc2Br)n1C[C@@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1748810014 YXSYIFRKBWSBLD-ZBFHGGJFSA-N 498.422 2.424 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ccccc1CN(CC)CC)[C@@H]1CCS(=O)(=O)C1 1748811764 LANOUZLCUPYCOL-JOCHJYFZSA-N 493.637 2.252 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@@H]1CCO[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1748824556 QFETVTNIICPNAQ-OTWHNJEPSA-N 476.574 2.438 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC2CCCC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1748946368 GXCLOLDNYLARHQ-QHCPKHFHSA-N 460.575 2.339 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCCCN2C[C@H](C)C[C@@H](C)C2)CC1 1748977932 FMVPPLKLWFZUKW-PLXFJCCSSA-N 472.678 2.444 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccccc3Br)n2CCNC(=O)C(C)C)CC1 1748984060 KKXXRHMSYQEDNG-UHFFFAOYSA-N 459.392 2.235 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@](C)(O)c1ccccc1 1749159155 PXQWSMCDBDMKJU-REWPJTCUSA-N 477.631 2.311 30 10 JEEE C=C(C)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCN(C(=O)NC)CC1 1749187444 KNDOMBUXRBJLOD-UHFFFAOYSA-N 450.547 2.103 30 10 JEEE C=CC[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCCN(S(C)(=O)=O)CC1)c1ccccc1 1749383301 VAABSDNOEHXQQH-FQEVSTJZSA-N 474.631 2.248 30 10 JEEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2ccccc2)CC1 1749392000 XFQRBUISRWHFGJ-GOSISDBHSA-N 460.604 2.207 30 10 JEEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 1749456903 NAYMAOATNAMKHK-LJQANCHMSA-N 458.538 2.296 30 10 JEEE N#C[C@@H]1CN(c2nnc(-c3ccc(F)cc3Br)n2CC2CCS(=O)(=O)CC2)CCO1 1750385770 ABDCHLBOFZZEMJ-OAHLLOKOSA-N 498.378 2.400 30 10 JEEE CC(C)N(C)CCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1751234543 CAQFRRSXVYVZFH-GHTZIAJQSA-N 489.646 2.068 30 10 JEEE C[C@@H]1COCCN1CCn1c(COc2ccc(Br)cc2)nnc1N1CCO[C@H](C#N)C1 1752419897 GSBKGZRNXRFDQS-VQIMIIECSA-N 491.390 2.069 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2C[C@H]2CN(CC(C)C)CCO2)c1 1760125118 FPWOMZXNVHWOIG-JOCHJYFZSA-N 488.596 2.148 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Br)n1CC[S@](=O)CC)[C@@H]1CCS(=O)(=O)C1 1760185497 YDFXQRSBJADFHX-WQIZZMQYSA-N 499.456 2.103 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1ccccc1OCC=C)[C@H]1CCS(=O)(=O)C1 1760186663 FDWNVBKGHSXLCP-RTWAWAEBSA-N 470.595 2.412 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCCN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1760188427 KRRNOGUBGGKRCM-HXUWFJFHSA-N 456.616 2.151 30 10 JEEE C#CCN(c1nnc(CCCc2ccccc2)n1CC1(N(C)C)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1760192277 SKOLJPQLDBIFIK-HSZRJFAPSA-N 499.681 2.191 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCCCS1(=O)=O 1760235277 IBLYTFOJOBUICY-ROUUACIJSA-N 481.619 2.013 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1CC1(S(C)(=O)=O)CCCC1 1760243923 JCODAEBUUHACTD-UHFFFAOYSA-N 498.447 2.490 30 10 JEEE C=C(Br)Cn1c(N2CCCC[C@@H](S(C)(=O)=O)C2)nnc1[C@]1(OCC)CCOC1 1760313447 ARLWCMKMXMTOKZ-QAPCUYQASA-N 477.425 2.242 30 10 JEEE C=C(C)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1760345791 UOIOBJQLAVEZDF-OALUTQOASA-N 462.595 2.310 30 10 JEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCn2cc(Br)cn2)CC1 1760382184 KYFLVTWQDGLLCT-CQSZACIVSA-N 472.413 2.094 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@H](COC)C1 1760516233 YSACNVFGTVRNSO-AWEZNQCLSA-N 451.369 2.211 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCC(C(=O)N3CCOCC3)CC2)cc1 1760530438 OVAKFKGUCKJEOT-UHFFFAOYSA-N 496.612 2.105 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCC(CC(=O)NC)CC1 1760532384 UQCWSAYBMALCJQ-UHFFFAOYSA-N 454.575 2.382 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC(=O)N(C)[C@@H](C)C1 1760533658 LCDYLUUHSFKYAT-JLMWRMLUSA-N 455.559 2.282 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCC(CC#N)CC1 1760556723 OBFHZKMSLMOZJI-UHFFFAOYSA-N 453.572 2.247 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCc3ccc([N+](=O)[O-])cc3C2)nnc1[C@@]1(OCC)CCOC1 1760558199 ITMKVDBWUIQOKY-JOCHJYFZSA-N 491.570 2.002 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 1760695195 CMCNIHHYTNMLPY-KZNAEPCWSA-N 480.635 2.423 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCCc1ccccc1 1761235643 GJNRYVKLTALJBK-IBGZPJMESA-N 473.585 2.426 30 10 JEEE CCCC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCOCC2)C1 1765376043 BJINJTJFOSOPGK-HXUWFJFHSA-N 452.559 2.243 30 10 JEEE CN1CC[C@@](O)(Cn2c(COc3ccc(Br)cc3)nnc2N2CCC(C#N)CC2)C1 1767514659 AJGGUVXXWZKFOM-NRFANRHFSA-N 475.391 2.426 30 10 JEEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1cccc([N+](=O)[O-])c1 1862609742 UOCJRHGIRRGNTB-FQEVSTJZSA-N 467.434 2.080 30 10 JEEE CC(C)OCCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CN1CCN(CCO)CC1 1870350185 UIGVZYSSOQRHGI-UHFFFAOYSA-N 468.598 2.224 30 10 JEEE C=CCOc1cn(CCN2C(=O)CSC2=O)c(CN2CCN(Cc3ccccc3)CC2)cc1=O 1870388446 XHGSABKGRQQULS-UHFFFAOYSA-N 482.606 2.426 30 10 JEEE COc1ccc(N2C[C@@H](c3nnc(S)n3/N=C/c3ccccc3S(=O)(=O)O)CC2=O)cc1 1874571167 ZINJJUHDRYRRIY-FVUPAENESA-N 473.536 2.225 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]1NS(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2255751827 DOUSQQALGFXFTM-YOEHRIQHSA-N 452.382 2.177 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)s1 2255852590 GJBUUJIMGJYUKQ-CABCVRRESA-N 452.382 2.066 30 10 JEEE CC[C@@H]1[C@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)CCN1C(=O)OC(C)(C)C 2256617077 GNENHKJSXNNWIV-CHWSQXEVSA-N 452.386 2.233 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)Nc1nc(B2OC(C)(C)C(C)(C)O2)ccc1Cl 2256674635 BEQXJTOKYZKSDH-ZDUSSCGKSA-N 455.748 2.248 30 10 JEEE CN1CCN(C(=O)OC(C)(C)C)[C@@H](COc2nccc(B3OC(C)(C)C(C)(C)O3)c2F)C1 2265994149 BSYYPPYIXMKMML-OAHLLOKOSA-N 451.348 2.450 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N 2267526125 NDUZFEIZHLKKHW-AWEZNQCLSA-N 462.381 2.336 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCO[C@@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2268634930 LUHQKRSZIQTOIB-GJZGRUSLSA-N 451.304 2.141 30 10 JEEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)[C@]1(NC(=O)OC(C)(C)C)C[C@@H](O)C1 2268706418 ODKJVIGZLNRSJV-XLOAEROZSA-N 466.409 2.424 30 10 JEEE CN(C)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1Oc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2269068099 BABXRXYCYGXCGQ-IRXDYDNUSA-N 451.348 2.448 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1C[C@H](F)CN(C(=O)OC(C)(C)C)C1 2282012737 ZWRUBEINGYZPHP-LSDHHAIUSA-N 466.363 2.105 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C(=O)O)N(C(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)C1 2282023225 LHQBPTHOZFOAHB-TZMCWYRMSA-N 481.380 2.025 30 10 JEEE C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1N(C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282036861 OMWPQZIIHFNRFU-DOTOQJQBSA-N 462.400 2.437 30 10 JEEE Cn1cc(C(=O)NC[C@H]2C[C@](F)(CNC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2282040122 FGSONERMCBYPOG-XLOAEROZSA-N 466.363 2.092 30 10 JEEE CC1(C)OB(c2c[nH]c(C(=O)N3CC[C@H]4COC[C@@H](C3)N4Cc3ccccc3)c2)OC1(C)C 2282059768 MZPDPLVMNGHJNW-LEWJYISDSA-N 451.376 2.429 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CCNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)C(F)(F)F 2282176588 VEXJLRSWZDCKHJ-ZDUSSCGKSA-N 474.289 2.351 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@H](CNC(=O)OC(C)(C)C)C2(C)C)n1 2282549387 JQWKRKHSYNLTMY-OAHLLOKOSA-N 462.400 2.485 30 10 JEEE COc1cccc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1COC[C@H]1NC(=O)OC(C)(C)C 2282611016 FTDFZGZJWQJQNS-JKSUJKDBSA-N 462.352 2.016 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](C2(NC(=O)c3ncncc3B3OC(C)(C)C(C)(C)O3)CC2)C1 2282707174 VSKQRQZGLASLMO-OAHLLOKOSA-N 458.368 2.295 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1CC[C@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(O)cc1O 2282989208 ZXDNVTOXIVYUTQ-CZUORRHYSA-N 462.352 2.430 30 10 JEEE CN(Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)[C@H]1COC[C@H]1NC(=O)OC(C)(C)C 2283962530 IKPCXBXGZKYZHY-RBUKOAKNSA-N 460.380 2.484 30 10 JEEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)N1CCc2cccc(B3OC(C)(C)C(C)(C)O3)c2C1 2283976992 KQDUYDQISOZVRV-DNVCBOLYSA-N 460.380 2.145 30 10 JEEE CC(C)(C)OC(=O)N[C@H](C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1)[C@H](O)C(C)(C)C 2284062128 ISSZCVRDORFJKE-GJZGRUSLSA-N 483.440 2.359 30 10 JEEE CC(C)(C)OC(=O)N1[C@H]2CCO[C@H]2C[C@@H]1C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2359383564 TZUJYFFCQATQJR-BBWFWOEESA-N 459.352 2.486 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H]3C[C@H]2CN(C(=O)OC(C)(C)C)C3)n1C 2362330957 DTGXXHNLQWUTRE-HOTGVXAUSA-N 460.384 2.109 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@]12CC[C@H]1CN(Cc1ccccc1)C2 2362347831 KJJAUTLQEGLNAA-DFBJGRDBSA-N 450.392 2.361 30 10 JEEE CC(C)(C)OC(=O)NCC1(CO)CCN(C(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)CC1 2362576615 LKBRBJGXTAQACI-UHFFFAOYSA-N 481.424 2.182 30 10 JEEE COc1nc(N2CCO[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)ccc1B1OC(C)(C)C(C)(C)O1 2365343955 HRHRSPCIMHRISZ-DLBZAZTESA-N 461.368 2.214 30 10 JEEE COC(=O)c1ccccc1NC(=O)CSc1n[nH]c(N/N=C/c2ccc(OC)c(O)c2)n1 21078583 GLLAVERKJDXKGF-UFFVCSGVSA-N 456.484 2.482 30 10 JEEE Cc1nc2ccccn2c1/C(O)=C1/C(=O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1cccnc1 103092366 QHJJTRYDEJDSKP-LAGVDGIJSA-N 461.522 2.182 30 10 JEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)[C@H]2CCCN2c2ncnc3sccc23)CC1 482012864 FSIFGTPXYNMIDX-GOSISDBHSA-N 482.591 2.065 30 10 JEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3c(C)noc3C)C2)cc1 500496076 JZTBWIPCZSHNEC-QGZVFWFLSA-N 496.611 2.137 30 10 JEEE CCn1cc(N=C2S[C@@H](CC(=O)Nc3ccc(OC)c(Cl)c3)C(=O)N2CC(=O)NC)cn1 726117968 ICNDOSGRHXKBBF-INIZCTEOSA-N 478.962 2.271 30 10 JEEE COCCSc1nnc(NC(=O)CSc2n[nH]c(NN=Cc3cnn(C(C)C)c3)n2)s1 1084495566 UNWQMZVKISYQSY-UHFFFAOYSA-N 482.621 2.349 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2ccc(C(=O)N=S(C)(C)=O)cc2)ccc1F 1129367675 WPFJPOPXZREECL-UHFFFAOYSA-N 453.517 2.410 30 10 JEEE Cc1ccc(-c2noc([C@H](C)NC(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)n2)cc1F 1137502364 ICXUPJKWRRIZBM-ZDUSSCGKSA-N 457.487 2.490 30 10 JEEE C=C(C)CN(Cc1ccc(CO)o1)S(=O)(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 1211816418 SKKDUEQQYPMJBT-UHFFFAOYSA-N 454.570 2.323 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2CC(C)(C)C(=O)NCC)c1 1286311094 JTTHOTQTTNSLRA-UHFFFAOYSA-N 473.581 2.482 30 10 JEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1286340004 SCUVNEWMVCRLIA-IBGZPJMESA-N 467.599 2.336 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCN1CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1286389591 MWNVWOQWPRFOKE-ICSRJNTNSA-N 456.616 2.007 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccc(OC)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 1286390528 APPNVIDNKMEJTK-DLBZAZTESA-N 464.975 2.119 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(CN2CCCC2=O)cc1 1286398537 ZJSVBEUCINUQSR-UHFFFAOYSA-N 467.533 2.169 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1286550582 IUJXSUAVOFUTFD-FSSWDIPSSA-N 450.543 2.139 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccccc2OC)nnc1N1CCC(OCC(N)=O)CC1 1286557191 HMYIBEUXVYNDEL-YADARESESA-N 469.586 2.329 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N(C)C[C@H](C)C(=O)NC 1286778535 CCEBTDOGVJLBJZ-KRWDZBQOSA-N 463.586 2.473 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCCOCC1 1286820510 MNHDDJYFVCNMDO-SFHVURJKSA-N 483.635 2.220 30 10 JEEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@@H](N2CCOCC2)C(F)(F)F)CC1 1286877942 UGCYHTKCEWLMER-HXUWFJFHSA-N 491.518 2.138 30 10 JEEE C=C[C@@H]1OCCC[C@H]1NC(=O)CNS(=O)(=O)c1ccc(SCC(C)C)c([N+](=O)[O-])c1 1298178598 PDGHTPSLQNJCBC-WBVHZDCISA-N 457.574 2.471 30 10 JEEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(c2cccnn2)CC1 1300743304 LYRGLOZVNXNTJF-UHFFFAOYSA-N 450.528 2.336 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1300843661 DFDWULUCHQFYJD-XBFCOCLRSA-N 469.384 2.487 30 10 JEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1300989913 AFTNZJNSPQHDOM-LJQANCHMSA-N 455.519 2.057 30 10 JEEE C=C(C)COCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@@H](COC)O[C@H](C)C1 1300991149 KQPHGNYSTHRYPV-MSOLQXFVSA-N 468.558 2.025 30 10 JEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](c2ccc(C)o2)N2CCOCC2)CC1 1301106224 RSQZSJRMCOUQRR-UYAOXDASSA-N 492.646 2.266 30 10 JEEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1301257926 GTRXECLOQQKSRE-RTBURBONSA-N 457.579 2.162 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC(C(=O)NCCC)CC1 1301496446 AUCCVLJUNKEBNB-UHFFFAOYSA-N 476.585 2.176 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(COc3cccc(C)c3)n2CCC(=O)N2CCOCC2)C1 1301565121 DLGDTWSBWCTMNO-NRFANRHFSA-N 455.559 2.196 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(CCCO)CC1 1301588511 GGTDDMMVCHBLAS-NRFANRHFSA-N 476.599 2.380 30 10 JEEE CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1CCC(=O)N1CCCCCC1 1306259337 FFXVBVNEXKBUAK-OAQYLSRUSA-N 479.585 2.236 30 10 JEEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@](C)(OC)C2CC2)C1 1314001185 FHQUBVXTGBFZRU-SIKLNZKXSA-N 458.588 2.150 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1ccccc1OC(F)F)[C@H]1CCS(=O)(=O)C1 1358961948 HMRVJCFTHSMYKP-MSOLQXFVSA-N 480.537 2.449 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCCCN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1358967118 DSSJWBOXWFEPGY-LEWJYISDSA-N 463.648 2.413 30 10 JEEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CC(=O)N(c2ccccc2)C1 1358985639 CZJOGNAXIFDBKU-LVXARBLLSA-N 461.566 2.446 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1(CS(C)(=O)=O)CC1 1358999010 ZRBNXBUAABNHKR-KDURUIRLSA-N 489.642 2.337 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CC(F)(F)CO1 1359025172 FSLWBPXOSATIEM-SJORKVTESA-N 485.532 2.097 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(NS(C)(=O)=O)CC1 1359094869 GWGCTOLKVTYWFX-CTNGQTDRSA-N 470.599 2.316 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCCCCC1 1359098687 DULUCQHLKCNNBF-AABGKKOBSA-N 467.636 2.363 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1359189587 OWWPCUGOSVPBHI-FQEVSTJZSA-N 489.690 2.455 30 10 JEEE C=CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCC(=O)N1CCOCC1)C1CC1 1359254304 LYBOCQKXDHDWMX-HDICACEKSA-N 474.606 2.453 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1359293484 RARWRDMAMFXXNN-MRXNPFEDSA-N 488.346 2.279 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1359296221 BAGLJJKORBPUJQ-SFHVURJKSA-N 492.584 2.160 30 10 JEEE CC[C@@H](C)NC(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1496247933 FWQFJTSQXOTKML-UTKZUKDTSA-N 462.558 2.433 30 10 JEEE CC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)[C@H]1CC)N1CCCC1 1497382346 BTDYGJIWRANBOJ-PZJWPPBQSA-N 451.575 2.318 30 10 JEEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(COC(C)(C)C)c1)[C@@H]1CCS(=O)(=O)C1 1507631786 GFEVMOFNPQWJQA-RTWAWAEBSA-N 499.637 2.219 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C)=C(Br)C1 1507750767 DOPSREIHJDCSRF-AWEZNQCLSA-N 459.435 2.426 30 10 JEEE C#CCSCCn1c(CC2CC2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1507755052 KGCSGIISLVNVKX-BGYRXZFFSA-N 458.676 2.224 30 10 JEEE C=C(C)COCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1 1507835896 PMHIABBKFUOAIQ-JOCHJYFZSA-N 460.966 2.156 30 10 JEEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2c(F)cc(F)cc2C1 1507844402 JJQIGFGTBTZUGW-FQEVSTJZSA-N 497.568 2.045 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCN2CCCC[C@@H]2CC)CC1 1507902022 HKCPVEDYULEMIH-SFTDATJTSA-N 480.679 2.278 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@]2(CCOC2)C1 1508097679 JPOQKIXUBHEVLW-SBUREZEXSA-N 460.579 2.269 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccc2cnccc2c1 1508140633 PDSIEZQMIJNGIM-LJQANCHMSA-N 454.556 2.015 30 10 JEEE Cc1ccc(-c2nnc(N3CCN(Cc4ccc(C#N)cc4)CC3)n2CC(=O)NCC(F)F)o1 1510818214 GNLMQJCTUTXKGK-UHFFFAOYSA-N 469.496 2.422 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1Cc1cccc(CN(C)CC)c1)[C@@H]1CCS(=O)(=O)C1 1539210414 DWTUCSILRNHNCT-JOCHJYFZSA-N 480.638 2.410 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1CCOCCCC)[C@@H]1CCS(=O)(=O)C1 1539212587 VYRBHNKQARRLCD-LJQANCHMSA-N 474.583 2.160 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1CCCC(=O)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1539218846 FBLVSSOLANDODQ-SFHVURJKSA-N 451.637 2.142 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2csc(C)n2)n1CCN1CCCS1(=O)=O 1539392875 YJKQXRIHCXZTAO-UHFFFAOYSA-N 488.614 2.448 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc(COC)cc2)CC1 1539468311 DDPFRHAFFDKWHP-MHZLTWQESA-N 495.624 2.479 30 10 JEEE C=C(C)COCCn1c(CCc2ccc(OC)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1539757957 FJIBMYFGXJZTPK-FQEVSTJZSA-N 454.575 2.221 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ccc(CC)cc2)C1 1540891866 ARCOGJSBTWTFJK-VXKWHMMOSA-N 489.642 2.197 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc(CNC(=O)c2cccs2)n1Cc1nnc2n1CCCCC2 1541118478 ATZXCJIAWRCTNP-HNNXBMFYSA-N 453.576 2.232 30 10 JEEE C=CCO[C@@H]1CCN(C(=O)CS[C@@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)C1 1546131680 IQTQZPYTTSYGJL-PKOBYXMFSA-N 458.584 2.348 30 10 JEEE CCCN(CC)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@@](F)(C#N)C1 1547118343 FWHVTQFMZHRFGI-OAQYLSRUSA-N 462.599 2.412 30 10 JEEE CCOc1ccc(O[C@@H](C)c2nnc(N3CCO[C@@H](C#N)C3)n2CCCN2CCOCC2)cc1 1547977832 DQKWUDAVEVRFJJ-UGKGYDQZSA-N 470.574 2.268 30 10 JEEE COC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCOCC2(C)C)C1 1554514238 GENVXOVDNMZXGY-HXUWFJFHSA-N 452.559 2.317 30 10 JEEE C=CC[C@]1(C(=O)N2CCN(C[C@@H]3CCCS3(=O)=O)CC2)CCCN1C(=O)OC(C)(C)C 1557805140 IRZFKOHXZIVPAF-PGRDOPGGSA-N 455.621 2.054 30 10 JEEE C#C[C@H](NC(=O)NCC1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1)C(C)(C)C 1564046987 RKXGDQHZXIPUBE-FQEVSTJZSA-N 451.589 2.452 30 10 JEEE Cc1nnc([C@H]2Cc3ccccc3CN2C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)o1 1586490948 FNANXBCXGIBBCP-VBKZILBWSA-N 451.508 2.243 30 10 JEEE C#CCCCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1587777912 VNKWQZSMQJQBCH-UHFFFAOYSA-N 469.615 2.086 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1C[C@H](C1CC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1588041545 XSMNBJOURHWTJB-FGZHOGPDSA-N 455.628 2.474 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1CCN(CC)CCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1588049981 ORXOUEABLNJJGF-SFHVURJKSA-N 484.548 2.241 30 10 JEEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1c(F)cccc1N1CCCC1 1588672546 DQYBQCHWYMUHQN-UHFFFAOYSA-N 454.550 2.274 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@H]2CCOC[C@@H]2OC)CC1 1588871528 GMFIUZRQKUXCGQ-GMAHTHKFSA-N 453.587 2.281 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@](C)(O)C2CCCCC2)CC1 1588884609 GZNYPKMWKMOSNN-AREMUKBSSA-N 493.612 2.223 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H](C)CN2CCCC2)CC1 1588890976 JWWZKZWKPJWSCR-RLWLMLJZSA-N 486.661 2.016 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccc(OC)cc3)n2CC2(C(N)=O)CCCC2)CC1 1588955473 YEVTVVBHPMDPLK-UHFFFAOYSA-N 492.624 2.083 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CCN2[C@@H](C)CC[C@H]2C)CC1 1595517502 ZOBPNKRYXMBPDW-OYRHEFFESA-N 476.629 2.114 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1595798051 MBHMXCMMCRTISM-SQNIBIBYSA-N 483.635 2.470 30 10 JEEE C=CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(C(=O)C(C)C)CC1 1595871142 HUPCZAHZSLBBAA-UHFFFAOYSA-N 491.687 2.462 30 10 JEEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1595884050 GKDDGRMLULRXGE-PCCBWWKXSA-N 476.691 2.328 30 10 JEEE CC(C)(C)S(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@](F)(C#N)C1 1597699010 DKGPKIAZMYPXCJ-QFIPXVFZSA-N 490.609 2.107 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCC(=O)N2)n1Cc1ncccc1N(C)C 1619899615 CRYCQPHNKIGBDH-HXUWFJFHSA-N 474.569 2.263 30 10 JEEE C#C[C@H](NC(=O)[C@H](NS(=O)(=O)c1cccs1)[C@@H](C)O)c1ccc(Br)cc1 1625078054 OWEPYAOXSALNQT-DIOULYMOSA-N 457.371 2.029 30 10 JEEE C#CCNS(=O)(=O)N1CCN(C(=O)c2sc3ccc(Br)cc3c2C)CC1 1632966818 ZMIPKFTYRSGADX-UHFFFAOYSA-N 456.387 2.198 30 10 JEEE C#C[C@@H](NC(=O)c1cn(CC)c2cc(N3CCN(C)CC3)c(Cl)cc2c1=O)[C@@H]1CCCO1 1633398031 UDECRASIRXOPKM-KNQAVFIVSA-N 456.974 2.337 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@H](O)c2cccc(Br)c2)s1 1639409348 UKJVATUOHVMTNE-HNNXBMFYSA-N 459.387 2.367 30 10 JEEE C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c1ccc(C(C)(C)C)cc1 1643214383 YRGIODSEXGTGGC-IHPCNDPISA-N 450.601 2.225 30 10 JEEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN(C)C[C@H](O)COc2ccccc2C(F)(F)F)CC1 1653363296 ASAPDCPLVCFXAW-PKOBYXMFSA-N 456.509 2.069 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2CCCN2C[C@H](C)O[C@H](C)C2)c1 1689870309 JSEOHEIDTFHRRF-BGYRXZFFSA-N 488.596 2.291 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(Br)c2)n1C[C@H]1CC(=O)N(CCOC)C1 1690003690 UYQXOZUUOCFYKZ-KRWDZBQOSA-N 470.371 2.275 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2CCC(=O)N(C)C)CC1 1690111707 IFRWCLSRZLSAMS-IBGZPJMESA-N 454.575 2.050 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@H](SC)C1 1690244945 AZBPFRDUGAJQQK-WCIQWLHISA-N 499.703 2.314 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2cc(C)ccc2OC)CC1 1690310274 ZFRNSTAEWUUMGD-NRFANRHFSA-N 468.602 2.461 30 10 JEEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C(C)(C)C)C1 1690509097 WVLNPPQEOWABDX-MSOLQXFVSA-N 455.625 2.076 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCN(CC(=O)NC(C)C)CC1 1690663430 WIYDNRPTSHBHFL-UHFFFAOYSA-N 499.685 2.224 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCc2cc(Br)ccc2C1 1690668749 HYRFLXQKELUMTH-UHFFFAOYSA-N 456.348 2.306 30 10 JEEE C=CCNC(=O)Cn1c(N(CC)C[C@H]2CCCO2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1690677101 MXWBNFKDOFWWTQ-FGTMMUONSA-N 462.595 2.356 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCC(C(=O)OC)CC1 1690725082 FCADIDFPWKHDKQ-UHFFFAOYSA-N 468.526 2.137 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CC1CC(F)(F)C1 1692862483 FNPMWWKILJIWMJ-KDOFPFPSSA-N 480.541 2.383 30 10 JEEE COc1cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCC(=O)N2CCCCCC2)cc(OC)c1OC 1697256411 GYBZSDCBGFBBNN-IBGZPJMESA-N 498.584 2.492 30 10 JEEE CS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(OC2CCCC2)CC1 1698319515 IDDKVUGJABKLSZ-UHFFFAOYSA-N 488.614 2.206 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCN1CCC[C@@H](C)C1 1705482256 VYAGRPZTQOUVQT-RTBURBONSA-N 458.632 2.385 30 10 JEEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CCC1(C)CC1)[C@@H]1CCS(=O)(=O)C1 1705560555 IAYCNDPCPAFNTH-XMSQKQJNSA-N 450.605 2.136 30 10 JEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CCc1ccc2c(c1)OCCO2 1705585629 WQMNLFHXSHTIJP-UHFFFAOYSA-N 461.547 2.356 30 10 JEEE C#CCN(CC#CC)c1nnc(COc2ccc(OC)cc2)n1C[C@H]1CCCCS1(=O)=O 1705602546 ZDRPEVARXBSBAW-OAQYLSRUSA-N 456.568 2.296 30 10 JEEE C#CCN(CC)c1nnc(-c2ccccc2Br)n1CC1(O)CCS(=O)(=O)CC1 1705609169 SHISPFPLUZWPOQ-UHFFFAOYSA-N 467.389 2.107 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(OC)ccc2Br)n1C[C@H]1CCS(=O)(=O)C1 1705623154 IHDFLYPYLCBXNH-OAHLLOKOSA-N 497.415 2.237 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CC(C)(C)CN2CCCC2)CC1 1705651080 ITKAGMXIGAMHJI-UHFFFAOYSA-N 480.661 2.228 30 10 JEEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1705727257 QGKOBCGRLDAKDG-INIZCTEOSA-N 468.587 2.243 30 10 JEEE C=CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1705801402 DQDDALPUSIBNRW-IBGZPJMESA-N 487.630 2.108 30 10 JEEE C=CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCC1(O)CCOCC1 1705846943 YOPTYWLCICZCSM-UHFFFAOYSA-N 454.619 2.197 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCC[C@H](NC(C)=O)C1 1705898509 OEXXLGKIFQAAMA-HNNXBMFYSA-N 479.354 2.254 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CCC(C)(F)F 1706885737 DINNXPWZEHUXND-CQSZACIVSA-N 485.536 2.271 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC(F)(F)F 1708751160 AMEWOZJRFJYHKG-UHFFFAOYSA-N 450.469 2.352 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2CCCc2cnn(C)c2)c1 1722309034 IVSSODZBBXZAET-UHFFFAOYSA-N 455.526 2.158 30 10 JEEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(CC(=O)NC(C)C)CC1 1722464963 VLHMQSJZESZWEA-TZIWHRDSSA-N 476.691 2.210 30 10 JEEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1722547971 XCMVDQQPELDEIM-INIZCTEOSA-N 487.413 2.377 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](O)CC2(CCCC2)C1 1722702307 MYWYZRQPRLNBRV-LJQANCHMSA-N 450.543 2.162 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cc(F)ccc2N2CCOCC2)C1 1722709957 ZQBMGVDZBQZSGW-FQEVSTJZSA-N 472.565 2.222 30 10 JEEE CC(C)(C)OC(=O)N1CCC(c2nnc(N3CC[C@](F)(C#N)C3)n2CC2(S(C)(=O)=O)CC2)CC1 1722974239 HSZQALOGWNMWLC-NRFANRHFSA-N 496.609 2.412 30 10 JEEE CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCCC2)CC1 1727103157 HVZOLLLPFRMLSU-NRFANRHFSA-N 478.645 2.339 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2CCc2nnc(C)s2)c1 1740564343 KFSSQOOKFPDKAL-KRWDZBQOSA-N 451.556 2.241 30 10 JEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCN1CCN(c2ccccc2)CC1 1740573951 IDIMKTRZDCGEJC-JOCHJYFZSA-N 484.670 2.242 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1740625627 RQTHRAOCIYQBHU-AEFFLSMTSA-N 465.620 2.113 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1conc1COC 1740656799 NAJCBFWNAIZWSE-HXUWFJFHSA-N 484.557 2.232 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCn2cc(Cl)cn2)CC1 1740697590 KWSZNNMDDRTDMB-UHFFFAOYSA-N 455.950 2.268 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC(=O)NCCC)CC1 1740707800 QDYLYIJUNPVUHW-UHFFFAOYSA-N 472.977 2.003 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccccc2F)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1740765795 CLOQCCXWPJJGST-UVELEOGVSA-N 474.533 2.338 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(NC(C)=O)cc1 1740774194 OJBAVVYRDXPFTE-FQEVSTJZSA-N 476.603 2.020 30 10 JEEE C=C(C)COCCn1c([C@H]2CCCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1740794531 CHPWETNBFWMJAA-UYAOXDASSA-N 452.563 2.489 30 10 JEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2cnc3c(Cl)cnn3c2)CC1 1740833721 WSWLYIRTZXIJJD-CQSZACIVSA-N 479.010 2.230 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1740956742 PHYAOTFLCYIPDO-IBGZPJMESA-N 471.949 2.221 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCN1CCOC[C@@H]1C 1748665342 PPLWDPCCLOKMBK-MOPGFXCFSA-N 463.586 2.415 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCCN1CCC(O)CC1 1748666856 JLHPUBPAZVNVLK-IBGZPJMESA-N 477.613 2.370 30 10 JEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1c1ccc2c(c1)OCCO2 1748732357 YTDDTUJSXZXOMA-AEFFLSMTSA-N 459.572 2.414 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1cn(CCCC)nc1C)[C@H]1CCS(=O)(=O)C1 1748811298 DPVNBOKGUQPZFQ-FQEVSTJZSA-N 467.599 2.320 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1CCN(C2CC2)CC1 1748830952 BJFKOHMEHYVUPI-UHFFFAOYSA-N 451.596 2.296 30 10 JEEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cccc(C(=O)N(C)C)c1 1748920969 VUSNBJJUYLLJSV-UHFFFAOYSA-N 479.610 2.448 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CCCN(C(C)=O)C1 1748950791 OJRNALLPADSJIH-QGZVFWFLSA-N 477.407 2.391 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCc2nccs2)CC1 1748979453 AHLGBTUBPWUHIX-UHFFFAOYSA-N 470.624 2.193 30 10 JEEE C#CCN1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCNC(=O)[C@@H](C)CCC)CC1 1748986699 HJFOYAHJFSUDMN-NRFANRHFSA-N 474.613 2.438 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2Cc2nncn2C)CC1 1749005981 DHHJATLGQXZIAL-UHFFFAOYSA-N 473.368 2.395 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1749067577 UWOAOZAVRYMOFS-JTDSTZFVSA-N 459.538 2.057 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2nc(CC)ns2)CC1 1749115510 RUEARYPFHKBUDL-SJLPKXTDSA-N 474.635 2.138 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCOC1=O 1749554518 UMJBKVLFUSDKMI-INIZCTEOSA-N 465.601 2.277 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CCS(=O)(=O)C1 1749600311 VNUCCFSPUWCGIZ-RTBURBONSA-N 497.662 2.466 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CCN(c2cccnn2)CC1 1749658826 QGMFOKOEYCRXKY-UHFFFAOYSA-N 489.403 2.188 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cc(OC)nc3ccccc23)C1 1749698287 SPGCWOSTHNFTAL-AEFFLSMTSA-N 486.598 2.275 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H](C)C[C@@H]1CC 1749724823 NSYGVLXHUSDXCP-HKUYNNGSSA-N 495.671 2.421 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1nc2c(s1)CCCC2 1760117288 NRFSRAGMCPDRBZ-WMZOPIPTSA-N 492.671 2.037 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Oc1ccc(Cl)cc1 1760118095 XYHBLAGLTAOOSG-FRQCXROJSA-N 482.006 2.190 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OCC)CCOC3)n2CC2(C)COC2)c1 1760126255 SFBCEWJDYDASPH-DEOSSOPVSA-N 453.543 2.023 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1Cc1ccc(C)nc1)[C@H]1CCS(=O)(=O)C1 1760186100 KPPZNFFIIBCXJL-NRFANRHFSA-N 453.543 2.386 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC1C[C@H](C)O[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1760189488 UUIVCIIFTQJYFF-XEYPJELSSA-N 450.605 2.002 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(C)o3)n2CCNC(=O)c2ccc(C)c(F)c2)CC1 1760256329 VHHQUFPGKMPVGT-UHFFFAOYSA-N 450.518 2.479 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCc2c[nH]nc2C)CC1 1760271181 ORUTVXHKVHCULI-UHFFFAOYSA-N 486.580 2.359 30 10 JEEE C#CCSCCn1c(N2CCO[C@H](Cn3nc(C)cc3C)C2)nnc1[C@]1(OCC)CCOC1 1760286645 QHMFBMSIQPNMEN-REWPJTCUSA-N 474.631 2.015 30 10 JEEE C=CCCCCn1c(Nc2cnn([C@@H]3CC3(F)F)c2)nnc1[C@H]1CN(S(C)(=O)=O)CCO1 1760430886 XHTDXXAFOFXABU-HZPDHXFCSA-N 471.534 2.488 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC(F)F)c(F)c1 1760464721 NJSBLIQBRPROKN-INIZCTEOSA-N 475.493 2.022 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[S@](=O)CC 1760480090 KLVWXAYCVIBOOP-WWOZWPLTSA-N 461.613 2.013 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@H](C2CCOCC2)C1 1760515797 ZXOUZCHQAKHKOH-LJQANCHMSA-N 487.004 2.417 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1760517459 MTBROYALGANAMD-UHFFFAOYSA-N 481.645 2.251 30 10 JEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCN(c2ccc(C)cc2)C(=O)C1 1760525911 WJVGSIPMONPLRE-UHFFFAOYSA-N 465.583 2.098 30 10 JEEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](c2noc(C(C)C)n2)C1 1760526286 JXLZHAMHDAESBP-MRXNPFEDSA-N 498.613 2.462 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1760554580 HKECWVYCLRPVJK-WFXMLNOXSA-N 475.615 2.310 30 10 JEEE CC(=O)Nc1ccc(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CCn2cccn2)cn1 1760630298 DLLXITIKYFJJTI-UHFFFAOYSA-N 471.525 2.463 30 10 JEEE CC(=O)Nc1ccc(Cn2c(COc3ccc(F)cc3)nnc2N2CCO[C@@H](C#N)C2)cn1 1760630330 FGHJXQWPXXPBOE-IBGZPJMESA-N 451.462 2.127 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](c1ccco1)N1CCCCC1 1760688105 ARCBWZCSPMQSEM-KZNAEPCWSA-N 463.608 2.304 30 10 JEEE CCN(CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](CNC(C)=O)C1)C(=O)OC(C)(C)C 1766883492 FFSLIPDFFBERTJ-OAQYLSRUSA-N 497.600 2.415 30 10 JEEE N#C[C@]1(F)CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccnc(OCC(F)(F)F)c2)C1 1770726106 AGDUZUASNDFNNV-LJQANCHMSA-N 467.427 2.340 30 10 JEEE Nc1cccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccccc2[N+](=O)[O-])c1 1862557615 KUTHHRKPDVJSLX-HXUWFJFHSA-N 452.467 2.088 30 10 JEEE Cc1nnc2sc(CCC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)Nc3ccccc3C#N)nn12 1867041841 KBDUOMSKYHBQIK-IBGZPJMESA-N 475.534 2.370 30 10 JEEE C=CCOc1ccccc1OCC(=O)Nc1nc(N(CCO)CCO)nn1-c1cccc(Cl)c1 1869954664 AXTCDVLZCANXMG-UHFFFAOYSA-N 487.944 2.294 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)COc2nonc2C(=O)Nc2ccc3c[nH]nc3c2)nc1C 1872691643 KAOZSWZRPKMWIV-UHFFFAOYSA-N 483.466 2.323 30 10 JEEE O=C1C[C@H](c2nnc(SCCO)n2/N=C/c2ccc(O)cc2O)CN1Cc1ccccc1 1874209162 WQUQNTJLUOKPQI-FZJZADEZSA-N 453.524 2.172 30 10 JEEE CN(CC#CCNC(=O)CN(C)c1nc2c(S(C)(=O)=O)cccc2s1)Cc1ccccc1 1891792728 VEUYJVLNMVTDBJ-UHFFFAOYSA-N 470.620 2.388 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H](O)CNC(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1Cl 2247929294 DAXMOYFDFCWFIK-NSHDSACASA-N 460.789 2.316 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NC[C@@H]2CO[C@H](CNC(=O)OC(C)(C)C)C2)C1 2255149307 WLDJLEOZHBPDJY-YOPALGQTSA-N 451.564 2.339 30 10 JEEE Cc1sc(C(=O)NCC2(O)CN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1C 2267105956 SMDDDJRDBOZKPA-UHFFFAOYSA-N 466.409 2.376 30 10 JEEE CC1(C)OB(c2nscc2C(=O)NCC[C@@H]2CN(Cc3ccccc3)CCO2)OC1(C)C 2267145935 HOTKAHGNWWQWDE-GOSISDBHSA-N 457.405 2.463 30 10 JEEE CC1(C)OB(c2cncnc2C(=O)N[C@H](CNC(=O)OCc2ccccc2)C(F)(F)F)OC1(C)C 2267272973 GQICTJHGMYBBDY-MRXNPFEDSA-N 494.279 2.363 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H]1CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2267352296 JRXXMIYRNMRGQJ-CQSZACIVSA-N 470.372 2.413 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1[C@@H]2CN(S(=O)(=O)c3ccccc3B3OC(C)(C)C(C)(C)O3)C[C@@H]21 2267373460 DHFXLVNSKHPSNL-HWWDLCQESA-N 464.393 2.129 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](CNC(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)CO1 2267488035 SWNLNBZLEIRQBF-KGLIPLIRSA-N 467.397 2.102 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H](NC(=O)C(F)(F)F)C[C@@H](C)C1 2267527600 JSKHQYLPHFJNOS-PWSUYJOCSA-N 461.315 2.280 30 10 JEEE CC(C)(C)OC(=O)NCCc1nc(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)cs1 2268637663 OFLQVEVGRWPDKD-UHFFFAOYSA-N 481.409 2.035 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1CC(F)(F)CN1C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2278900956 HJXYKJGMUASKDL-LBPRGKRZSA-N 456.299 2.083 30 10 JEEE COc1ccc(C(=O)N[C@@H]2COC[C@@H]2NC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2281818181 XFQNVVAUIMDTBF-SJORKVTESA-N 462.352 2.016 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC(CNC(=O)OC(C)(C)C)CC1 2282003621 DIINVEKLMAHOSL-UHFFFAOYSA-N 462.400 2.405 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1OC 2282121198 ACFZLQSFTUZCPU-SJLPKXTDSA-N 463.384 2.171 30 10 JEEE C[C@H](CC1CN(C(=O)OC(C)(C)C)C1)NS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282423477 PENSZHAMVJHEOZ-OAHLLOKOSA-N 481.424 2.305 30 10 JEEE Cn1cc(C(=O)N[C@]23CCC[C@@H]2N(C(=O)OC(C)(C)C)CC3)nc1B1OC(C)(C)C(C)(C)O1 2282548968 CVFYNFXHJABCEO-HJPURHCSSA-N 460.384 2.381 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@]12CCN(C(=O)OC(C)(C)C)C[C@H]1C2 2282609879 OAPVBTISHUMKPH-IQMFZBJNSA-N 460.384 2.332 30 10 JEEE C[C@@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(O)cc2O)C[C@@H]1NC(=O)OC(C)(C)C 2282991381 FKPWBURVNJUHLT-CJNGLKHVSA-N 462.352 2.382 30 10 JEEE C[C@@H]1C[C@H](CNC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2283054894 ALBQZEMCSZEOCJ-HZPDHXFCSA-N 460.384 2.399 30 10 JEEE C[C@H](NC(=O)CN1CC(NC(=O)OC(C)(C)C)C1)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2283984725 ZPFAWLSUWOXNLU-INIZCTEOSA-N 459.396 2.372 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](C(=O)N1Cc2cccc(B3OC(C)(C)C(C)(C)O3)c2C1)C(C)(C)O 2284052453 XYRPBIYHCMPTHB-SFHVURJKSA-N 460.380 2.492 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@H](C(=O)N[C@@H]3CCC=C3B3OC(C)(C)C(C)(C)O3)O[C@H]2C1 2284120038 TXQBKPVWELXIOM-VSZNYVQBSA-N 464.368 2.226 30 10 JEEE COC(=O)c1[nH]c2cc(OC)c(OC)cc2c1C=Nn1cnnc1SCC(=O)NCc1ccco1 2321876815 HUKQCGDWTRQHQD-UHFFFAOYSA-N 498.521 2.447 30 10 JEEE COC(=O)[C@@H]1C[C@H](OS(C)(=O)=O)C(=O)[C@@H]2[C@]1(C)CC[C@@H]1C(=O)O[C@@H](c3ccoc3)C[C@@]12C 2333257921 JPQCLBRBPPZECE-UMVDCEHLSA-N 468.524 2.413 30 10 JEEE CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@](C(=O)O)(N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C1 2346931353 PPJTXQYARNHEBM-DCLXLUIPSA-N 458.559 2.176 30 10 JEEE Cn1cc(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 2359278050 RJEFNJPCISPXEQ-YQQAZPJKSA-N 460.384 2.237 30 10 JEEE COC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)Oc1ccc(B2OC(C)(C)C(C)(C)O2)c(OC)n1 2365379368 IEVHOCXYPCUGDN-CJNGLKHVSA-N 466.340 2.223 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)[C@H]2CCC[C@@H]21 2367687283 QDWNVFATYRZHNF-HOTGVXAUSA-N 458.368 2.390 30 10 JEEE COCCn1cc(/C=N/Nc2nnc(SCC(=O)Nc3cccc(Cl)c3Cl)n2N)cn1 59914104 ULGJJNYYNOUZMO-QPSGOUHRSA-N 484.373 2.318 30 10 JEEE Cc1ccccc1N1CCN(c2nccn3c(=O)n(CC(=O)Nc4ccc(C#N)cc4)nc23)CC1 65151804 XVJJBRGAEAAKPL-UHFFFAOYSA-N 468.521 2.036 30 10 JEEE Cc1nn(C)c(C)c1/C(O)=C1/C(=O)C(=O)N(CCN2CCOCC2)[C@H]1c1cccc(Cl)c1 102745363 MKFFVEIHAHFKAJ-LCPUNJGISA-N 458.946 2.444 30 10 JEEE CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 208073147 RLELUHNRBUUISA-ROUUACIJSA-N 489.426 2.338 30 10 JEEE COc1ccc(/C=C/C(=O)[C@@H]2CNCC[C@H]2NC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)cc1OC 585830845 HCPOYSPACCFXLU-WGIPEPBESA-N 491.544 2.065 30 10 JEEE C=CCn1c(S)nnc1Cc1csc(NC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)n1 1143259584 ORDRDVIKXZQBDG-LLVKDONJSA-N 454.537 2.423 30 10 JEEE Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)NCc2cn(C)nc2-c2ccc(C#N)cc2)c1 1211485982 AENXIRFRFPDJJO-UHFFFAOYSA-N 458.565 2.458 30 10 JEEE C#CCN(c1nnc(-c2cc3ccccc3o2)n1C[C@](C)(O)CCOC)[C@H]1CCS(=O)(=O)C1 1286382475 JHPYMBXWVKUXRW-FDDCHVKYSA-N 472.567 2.106 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCN1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1286388496 QEQZGVMWOGXFMY-NRFANRHFSA-N 471.627 2.312 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CC[C@](C)(O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1286394893 XRRMDLKBOKEDNJ-RDGATRHJSA-N 479.606 2.188 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H](c1ccc(C)cc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1286395585 RXQSZKFZFFTWAO-FSSWDIPSSA-N 471.627 2.020 30 10 JEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@]1(O)CCC[C@@H]1C 1286401097 NTCVEEXVRAIIRT-GAJHUEQPSA-N 454.600 2.171 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCN(C2CC2)C1 1286422530 ZUVUPLUVPPSZLB-FQEVSTJZSA-N 480.638 2.143 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CC(c2ccccc2)C1 1286429318 ADLBSIGRNPQELL-IQWMQGJTSA-N 481.622 2.268 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)cn3C)n2CC[C@H]2CCOC2)CC1 1286488873 WUBCQBNXVHSWHX-INIZCTEOSA-N 489.418 2.439 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)COC)CC1 1286550872 JZKTYVMFBFWCHO-IFMALSPDSA-N 450.543 2.093 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1286671938 CEKRKINCOPJLJH-QRVBRYPASA-N 467.636 2.076 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cnccn2)n1C[C@@H]1CCS(=O)(=O)C1 1286740418 LWCLUKJVIIUZBU-SFHVURJKSA-N 454.556 2.371 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N1CCOCC1 1286745147 QIFMVCQBTGEUST-QUCCMNQESA-N 477.606 2.233 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCCO2)n1C[C@]1(O)CCS(=O)(=O)C1 1286749213 NFGYXHPUVLWMQM-YLJYHZDGSA-N 452.602 2.323 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc3cccnc23)nnc1N1CCC[C@@H](C(=O)NC)C1 1286817851 YRNLXLLTVRZRLV-GOSISDBHSA-N 468.583 2.057 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1286819353 HSBSNLWSJWCDRF-UHFFFAOYSA-N 498.584 2.351 30 10 JEEE CC(C)N(C)C(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCn2cncn2)CC1 1287880066 FBALMAKNCGRISI-UHFFFAOYSA-N 477.573 2.104 30 10 JEEE CCCNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCc2cnn(C)n2)C1 1294787767 BHHACWOGOYGXHH-FQEVSTJZSA-N 461.574 2.321 30 10 JEEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2cnn(C)c2)CC1 1300371600 GVSPFLITHQXJBW-UHFFFAOYSA-N 452.588 2.133 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1CC(=C)Cl)[C@H]1CCS(=O)(=O)C1 1300485031 VYUDMXBFGCCZRE-AWEZNQCLSA-N 472.796 2.425 30 10 JEEE C#CCN(c1nnc(CC)n1CC1=CCN(C(=O)OC(C)(C)C)CC1)[C@H]1CCS(=O)(=O)C1 1300499064 OYFUUGVPYUMJKE-SFHVURJKSA-N 463.604 2.034 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C1CC1)N(C)Cc1ccccc1 1300537207 AZXIAJRFGTWAIA-PKTZIBPZSA-N 465.623 2.164 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCCN(C)c2ccccc2F)CC1 1300685639 RFUUJDQLUNZBJQ-RUZDIDTESA-N 470.593 2.351 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1300871357 BOAATMAMXHIRRD-QXOCSCLMSA-N 477.635 2.117 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccc(OC)cc2)nnc1N1CCS(=O)(=O)CC1 1300896923 LZCUVMSEQABMBS-DYESRHJHSA-N 462.572 2.082 30 10 JEEE C=C(C)COCCn1c(CC(C)(C)C)nnc1N1CCN(c2cc(N3CCOCC3)ncn2)CC1 1300990870 MXAAJCXHYSRPII-UHFFFAOYSA-N 484.649 2.413 30 10 JEEE COC[C@@H](Cn1c(Cc2ccccc2F)nnc1N1CCN(c2ccc(C#N)cn2)CC1)OC 1301025421 IDIZIUDWJRUDQD-HXUWFJFHSA-N 465.533 2.263 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1301519631 QYQCQZAAJWPODF-UHFFFAOYSA-N 492.671 2.041 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCO[C@H](C(C)(C)C)C2)nnc1[C@]1(OC(C)C)CCOC1 1301596706 WSYLAIHNDZJBQY-AVRDEDQJSA-N 470.636 2.171 30 10 JEEE C[C@]1(C#N)CCCN(c2nnc(-c3cnccn3)n2C[C@@H](N2CCOCC2)C(F)(F)F)C1 1303932985 DMVIMHIZZKVZOK-VQIMIIECSA-N 450.469 2.128 30 10 JEEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCC1(COC)CCC1 1314393229 BOFRQLJUBSBPRE-GOSISDBHSA-N 454.579 2.398 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2CC2(C(N)=O)CCCC2)c1 1358901169 BFSNHLVDUNIEKR-UHFFFAOYSA-N 457.538 2.442 30 10 JEEE C#CCCCn1c(Cc2ccccn2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 1358931538 FECCDCQQLOWWEY-JTHBVZDNSA-N 463.630 2.494 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1cnn(CC(C)C)c1C)[C@H]1CCS(=O)(=O)C1 1358962186 LZTALRVMWPELRW-CTNGQTDRSA-N 474.631 2.008 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@]1(N(C)C)CCSC1)[C@H]1CCS(=O)(=O)C1 1358964814 HVMOTMIFSPDGJI-XUZZJYLKSA-N 487.695 2.241 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(OC)ccc2Br)n1Cc1nncn1CC 1358972068 RXQZMWDIMHGSHO-UHFFFAOYSA-N 454.332 2.449 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCC[C@@H]1NC(=O)NC1=O 1358972893 WVYOSCWLSDZYAJ-KRWDZBQOSA-N 450.568 2.337 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCCN1CCOCC1 1359016452 CKPIHRXAYKNTHM-OAQYLSRUSA-N 489.617 2.072 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OCCCC)c(OC)c3)n2CC2(O)CCOCC2)CC1 1359032991 LQOJLIAPFHWTGK-UHFFFAOYSA-N 483.613 2.429 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](c2ccc(CC)cc2)N(C)C)CC1 1359040001 DWTQXJLBJDCZMW-HSZRJFAPSA-N 493.656 2.247 30 10 JEEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCN(CCOCC)[C@@H](CC)C1 1359075654 BCPWUUWHEOPAQT-INIZCTEOSA-N 457.417 2.262 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CCN(CC(=O)NCC)CC1 1359092770 FZFZAHYIYKIOAN-REWPJTCUSA-N 468.602 2.193 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ncnn1C(C)(C)C 1359255815 LPBQKQFMOCIDGC-QGZVFWFLSA-N 497.629 2.347 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@@H](c2ccccc2F)C1 1359291415 PIPLBMFMYRRKKW-LJQANCHMSA-N 458.538 2.216 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCN(Cc2ccc(F)cc2)CC1 1359306461 HBFNGBOMRIUQAK-REWPJTCUSA-N 486.592 2.156 30 10 JEEE CC(C)C(=O)NCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1359637811 BJULDRLHXFMISA-FQEVSTJZSA-N 488.552 2.147 30 10 JEEE CCc1nc(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@@H](CNC(C)=O)C2)no1 1498364964 GEVMWQIOHKEXSL-IBGZPJMESA-N 478.557 2.269 30 10 JEEE CCc1nn(C)c(CC)c1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CCOC)C(=O)C1 1498488659 DDCJTUGZKRZRPR-UHFFFAOYSA-N 476.585 2.018 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2Cc2cccn(CC)c2=O)c1 1507551389 XGWBYQOWKLTKQC-HXUWFJFHSA-N 460.538 2.068 30 10 JEEE C#CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(CNC(C)=O)CC1 1507560609 LYSSPAWWEBNPHJ-UHFFFAOYSA-N 461.570 2.348 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1CC(C)(C)OCC)[C@H]1CCS(=O)(=O)C1 1507626973 HSQDXPAGSVHRCP-KRWDZBQOSA-N 476.599 2.404 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CC1(OC)CCCC1)[C@H]1CCS(=O)(=O)C1 1507629717 WFOIXQNJGWMVCJ-FQEVSTJZSA-N 453.568 2.403 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1CCC[C@H]1OC)[C@@H]1CCS(=O)(=O)C1 1507634405 NFHFUJMZLGYHIC-CEWLAPEOSA-N 460.575 2.450 30 10 JEEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@](C)(O)c1ccco1 1507711312 TUUYQFARPUYMHH-XMMPIXPASA-N 465.558 2.039 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 1507719960 QXIVMXQNCSHOLW-LEWJYISDSA-N 490.649 2.404 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H](OC)C2CC2)CC1 1507734982 GMIXGHLSNZQSRS-JOCHJYFZSA-N 467.570 2.353 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2CCc2cccc(C(N)=O)c2)CC1 1507740118 OKMOAEXLTIHVKB-UHFFFAOYSA-N 476.606 2.238 30 10 JEEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C(C)C)C1 1507964341 BCNQPALWOJIIII-RTBURBONSA-N 455.625 2.076 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cn2ccc3ccccc32)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1508144873 YQKZXBLEVUHIJA-HXUWFJFHSA-N 484.626 2.187 30 10 JEEE CNC(=O)CC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2CCN(C(C)=O)CC2)CC1 1517557124 AXQQUKSUMDMREK-UHFFFAOYSA-N 493.612 2.340 30 10 JEEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(Oc3ncc(Cl)cn3)c(Cl)c2)C1=O 1524648393 RBNVJUIDEIQOQK-UHFFFAOYSA-N 450.238 2.491 30 10 JEEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1539051745 GYBJKLVJNZOTGI-DVECYGJZSA-N 487.626 2.383 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCC1(COC)CCCC1)[C@@H]1CCS(=O)(=O)C1 1539223133 ZECXKFAHOJVKQA-RTBURBONSA-N 450.605 2.006 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2ccncc2Cl)CC1 1539434196 CKUJKAPSGVMUMM-UHFFFAOYSA-N 470.986 2.201 30 10 JEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(OC)c(OCC)c2)CC1 1539459320 DETCPWIIQANUFS-UHFFFAOYSA-N 463.586 2.351 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2Cc2snnc2C)CC1 1539488108 HHDBEQGMRKIKOB-UHFFFAOYSA-N 465.583 2.340 30 10 JEEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN(CC(=O)N(C)C2CCCCC2)CC1 1539511233 VIIJMEALXVMSIT-UHFFFAOYSA-N 482.658 2.015 30 10 JEEE C=CCC(C)(C)Cn1c(Cc2ccccn2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1539924244 PSZKGQOHVUSCLZ-UHFFFAOYSA-N 453.591 2.440 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCCS1(=O)=O 1540126176 BKRZFVJJYXIWBH-PKOBYXMFSA-N 481.644 2.048 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCc2cccc(Br)c2C1 1540862198 VBFLIZSVMBVTBO-UHFFFAOYSA-N 461.364 2.044 30 10 JEEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC(CC(=O)N(C)C)CC1 1540872498 RHWDFZLPQWMXAU-UHFFFAOYSA-N 460.529 2.144 30 10 JEEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1540917101 NSWMBVGWFIWFHD-UTKZUKDTSA-N 487.692 2.172 30 10 JEEE C=CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)NCC)CC1 1540920212 RDDOUIDWLVPEGK-UHFFFAOYSA-N 463.633 2.040 30 10 JEEE CS(=O)(=O)N1C[C@@H](C(=O)NC2CC2)C2(CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)C1 1548376261 VCQBICVSFCLDFB-SFHVURJKSA-N 470.517 2.334 30 10 JEEE CS[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1)C(C)(C)C 1555847711 CLPFYRBWWRPHRK-GOSISDBHSA-N 487.678 2.434 30 10 JEEE C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCCN1Cc1ccc(I)cc1 1568137387 PSZXBQKUDAHKME-MOPGFXCFSA-N 451.352 2.469 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCOC[C@@H]1CCOC1 1587638974 IHZDAIXVGPSLCO-SLFFLAALSA-N 477.606 2.488 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(S(C)(=O)=O)cc1 1587667289 GIDBMHHLSDKLRY-OAHLLOKOSA-N 457.581 2.179 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1CCCNc1ccccn1)[C@H]1CCS(=O)(=O)C1 1588044995 FDOKLZXPAFMWCJ-IBGZPJMESA-N 480.594 2.478 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1Cc1cccn(CC)c1=O 1588561090 ZXIWCWXCJVEGNY-UHFFFAOYSA-N 462.529 2.409 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC2CCN(CCC)CC2)CC1 1588968946 SQMYKSIPQYPYQJ-GOTSBHOMSA-N 486.661 2.090 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OC)n2C[C@@H]2CC(F)(F)CO2)CC1 1588968972 SXOXGCDXXNDAHA-SFHVURJKSA-N 489.523 2.256 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1589559966 VXYUWADTYLTMIV-PGRDOPGGSA-N 474.631 2.105 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(C)cc2)nnc1N1CCN(C(=O)COC)CC1 1589568481 JYMAZHBQSYZRLP-GBXCKJPGSA-N 469.586 2.442 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2CCCOC2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1595297088 MREKAQVKWXTYJZ-FPOVZHCZSA-N 456.591 2.479 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(CC(C)C)CC1 1595777359 LJAPJDSTZWUTAR-UHFFFAOYSA-N 461.588 2.053 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1595785406 ZRQMPMVHUUFABW-UHFFFAOYSA-N 485.570 2.119 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 1595797118 DTKZAIJLQFFMQR-ZWKOTPCHSA-N 483.635 2.124 30 10 JEEE COCCN(CCC#N)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H]1CCCCS1(=O)=O 1619910993 CDDJEDXNXRUYCG-GOSISDBHSA-N 475.571 2.050 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CCCN(c3ccccc3F)C2=O)s1 1630645836 OPQQLMUWJQZIJN-INIZCTEOSA-N 451.545 2.206 30 10 JEEE CC(C)(C)OC(=O)N1CCC(OCC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC1 1638202731 DADORVONIXDWFD-DOTOQJQBSA-N 452.552 2.278 30 10 JEEE C=C[C@@H]1OCC[C@H]1NC(=O)NCCN1C(=O)S/C(=C/c2cc(OC)c(OC)c(OC)c2)C1=O 1672798833 REOLBBSQKBULCU-NLGCMCFESA-N 477.539 2.391 30 10 JEEE C#CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CC(=O)N1CCOCC1 1689906652 QIJMEPQPPBTUHC-IBGZPJMESA-N 474.606 2.449 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1CC1(N(C)C)CCC1)[C@H]1CCS(=O)(=O)C1 1689996629 LCMZCBZEWQDXOQ-FQEVSTJZSA-N 471.627 2.277 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)cc1SC 1690047432 QTPJBQPYFNTXBT-FQEVSTJZSA-N 487.651 2.153 30 10 JEEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1nnc2n1CCCCC2 1690076893 DGLSNMMOVLBZHD-GOSISDBHSA-N 484.605 2.412 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@H](C)N(C)C2CC2)CC1 1690139716 YIBLIPQQKCXSQY-GOSISDBHSA-N 450.587 2.402 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2C[C@@]2(N3CCOCC3)CCSC2)CC1 1690145927 AXOIQLMIRYSUAZ-VWLOTQADSA-N 488.702 2.040 30 10 JEEE C#CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC(N(C)C(C)=O)CC1 1690170214 BTRCMQBGYBCJRC-UHFFFAOYSA-N 493.637 2.488 30 10 JEEE C=C(Br)Cn1c(N2CCO[C@H](c3nnc(C)o3)C2)nnc1[C@]1(OCC)CCOC1 1690234535 HNJBADLQEHGKRJ-KSSFIOAISA-N 469.340 2.108 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)OC(C)(C)C1 1690433332 VJTZIWDWANAXFT-SJORKVTESA-N 455.625 2.217 30 10 JEEE CC(C)C(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCSC2)CC1 1691407954 GDHVRSFSTISOJE-HSZRJFAPSA-N 454.600 2.379 30 10 JEEE CC(C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCCN1C[C@H](C)O[C@H](C)C1 1693837838 DFGMYBDWLHBDBJ-BGYRXZFFSA-N 452.607 2.494 30 10 JEEE C#CCN(c1nnc(-c2cn(C)c3ccccc23)n1CCCCOC)[C@@H]1CCS(=O)(=O)C1 1705565357 GZXQTBCNPZSKKK-GOSISDBHSA-N 455.584 2.490 30 10 JEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CC(F)(F)CO1 1705574483 FHVGYIBCDABXAU-INIZCTEOSA-N 462.526 2.044 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1CC1(N2CCC(OC)CC2)CCCC1 1705587726 GUNLQSOZJPMYOQ-UHFFFAOYSA-N 454.619 2.303 30 10 JEEE C#CCN(CCOC)c1nnc(COc2cc(C)cc(C)c2)n1C[C@@H]1CCCS(=O)(=O)C1 1705630209 KBYZEMIWFXNMGR-FQEVSTJZSA-N 460.600 2.385 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CC[C@H]2CCOC2)CC1 1705633973 DMTZDMISPZHUGX-SFHVURJKSA-N 455.559 2.153 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CCCN2CCCCC2=O)CC1 1705634163 LSXIDTUHFXJDPU-UHFFFAOYSA-N 496.612 2.129 30 10 JEEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CCc2nccc(C(F)(F)F)n2)CC1 1705640665 ACNVAPAIGOKONM-UHFFFAOYSA-N 456.476 2.071 30 10 JEEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CCc2nccc(C(F)(F)F)n2)CC1 1705641176 VSNCDYWEWHAMMX-UHFFFAOYSA-N 476.532 2.441 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc3c(c2)OCCO3)n1CCCN(CC)S(C)(=O)=O 1705671602 QASDWMHBXCCDPB-HSZRJFAPSA-N 473.599 2.380 30 10 JEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(Cc2ccc(F)cc2)CC1 1705843244 ANPNYGDCDDLQQQ-LJQANCHMSA-N 463.579 2.395 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@](C)(O)c1cccc(Cl)c1 1708756597 FGJCRULPTMZNFI-XMSQKQJNSA-N 460.966 2.486 30 10 JEEE COCC[C@](C)(O)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCO[C@@H](C#N)C1 1712320051 CGIBDLYHKPJGPK-YWZLYKJASA-N 480.363 2.232 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1Cc1cccc(C(=O)N(C)C)c1 1722300329 YOXQBNUQXBVWRZ-MRXNPFEDSA-N 450.568 2.478 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H]1CCCN(C(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1722360408 GZAIBQJILVACJE-TZIWHRDSSA-N 456.616 2.087 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H](c1ccsc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1722362359 SVRGYADAWVMFHL-PKOBYXMFSA-N 458.613 2.264 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(F)cn1)[C@@H]1CCS(=O)(=O)C1 1722364123 XNIKMFLPKRQSND-QGZVFWFLSA-N 460.922 2.203 30 10 JEEE C#CCN(c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@](C)(O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1722364243 YLMDRBGRUHEFAA-DVECYGJZSA-N 488.610 2.140 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1Cc1ccc(N2CCN(CC)CC2)nc1)[C@H]1CCS(=O)(=O)C1 1722365401 NPZPWBNUNSPTJJ-IRLDBZIGSA-N 499.685 2.004 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H]2CCSC2)CC1 1722436764 FGHJIONPKFJWLG-MOPGFXCFSA-N 476.647 2.095 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC2=CCCOC2)CC1 1722443933 QMSHBMAYPJIXRI-UHFFFAOYSA-N 473.375 2.348 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2C[C@H](C2CC2)N(C)C)CC1 1722449750 YIFCNCICBRSTOP-JOCHJYFZSA-N 452.578 2.314 30 10 JEEE C#CCSCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1722459762 QMDAFKLUINQIDE-HDICACEKSA-N 463.604 2.321 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 1722504896 IDONQLBBSKYCTJ-RWCSOYMTSA-N 488.614 2.055 30 10 JEEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1722524264 XLGHSTNVXZFBEO-OALUTQOASA-N 462.595 2.467 30 10 JEEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cc(F)ccc2F)CC1 1722529605 XIRLHZLVSAVCSS-MRXNPFEDSA-N 484.573 2.086 30 10 JEEE C=C(Cl)Cn1c(N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)nnc1[C@@]1(OCC)CCOC1 1722558776 XXJFORSXOLQQQU-HXUWFJFHSA-N 463.926 2.313 30 10 JEEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1722682193 UJQFWEOOFQYYIU-UHFFFAOYSA-N 486.020 2.182 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 1722694410 UYNZMXZSGTZTKY-UHFFFAOYSA-N 454.556 2.481 30 10 JEEE CC(=O)NC[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCN(C)C(C)(C)C2)C1 1722828545 DUENLARPMKRCKT-JOCHJYFZSA-N 478.645 2.195 30 10 JEEE CCOc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1CC1(O)CCN(C(C)C)CC1 1728903079 AHHMHPWPYNAGHQ-HXUWFJFHSA-N 484.601 2.220 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1Cc1c(Cl)c(C(F)(F)F)nn1C)[C@@H]1CCS(=O)(=O)C1 1740623829 BLZJLDNHABPKMV-CYBMUJFWSA-N 490.939 2.311 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CCc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1740625704 PCGVWYLCSIXQOO-HXUWFJFHSA-N 453.543 2.272 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1oc2ccc(F)cc2c1C 1740656767 MLUPKVOCTPGFHK-QFIPXVFZSA-N 499.568 2.316 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCc2cc(OC)ccc21 1740671464 HXNCOPJOGPRKHA-KNQAVFIVSA-N 487.626 2.199 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCC[C@H]2C)n1 1740688819 KGWPOPSCWOBYLX-HSALFYBXSA-N 474.631 2.099 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCc2ccc(F)cc2)CC1 1740699918 YXTBWSOZRJMPNB-UHFFFAOYSA-N 452.559 2.407 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2ccc(C)cc2O[C@H]2CCOC2)CC1 1740707745 OFRIPGCUJPVYOZ-QFIPXVFZSA-N 481.597 2.305 30 10 JEEE C#CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)[C@H](C)CS(=O)(=O)CC 1740713264 AEANIRFJFUNAFM-MRXNPFEDSA-N 464.613 2.342 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1740750764 UHVWEFIXJQRGEQ-QFBILLFUSA-N 472.550 2.344 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1scnc1C 1740774164 NENVAWLAGLHRGD-MRXNPFEDSA-N 454.622 2.021 30 10 JEEE C=C(C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1740778591 MEYKNWIUABARJB-INIZCTEOSA-N 452.519 2.070 30 10 JEEE C=CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1740891486 CDCNXGSSIHWGGN-WZONZLPQSA-N 456.595 2.442 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCCN(Cc2noc(C)n2)CC1 1740956284 OGCRPKKUJZFZKR-UHFFFAOYSA-N 470.965 2.304 30 10 JEEE CC(C)N(C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1741608982 AWMZPPORZAXRPR-HSZRJFAPSA-N 499.685 2.104 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCN1CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1748810163 ZQQUCIIPDHKAHS-TZIWHRDSSA-N 471.627 2.312 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H]1N(C)CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1748811859 MQKRABKKKRERFP-ICSRJNTNSA-N 456.616 2.087 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CCOc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1748819041 JAYCRDWFLSTUIT-HXUWFJFHSA-N 469.542 2.109 30 10 JEEE C#CCN(CC#C)c1nnc(CSc2ccc(C)cc2)n1CCS(=O)(=O)N1CCSCC1 1748858804 IKOZAPPATWQJGU-UHFFFAOYSA-N 489.692 2.330 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1CCCn1cc(Br)cn1 1748868824 JXLBTPWCWQPKFG-OAQYLSRUSA-N 475.391 2.442 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(I)cc1 1748887544 CRGZOWXMEHVLNB-KRWDZBQOSA-N 473.318 2.345 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCc2cccs2)CC1 1748979455 AIEPMSQLAWIAMG-UHFFFAOYSA-N 484.651 2.255 30 10 JEEE C=C(C)Cn1c(-c2ccccn2)nnc1N1C[C@@H]2[C@@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1749186323 GVRCUGOMWFOKDI-NJAFHUGGSA-N 474.587 2.043 30 10 JEEE C=C(C)COCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1749238998 GGNWESRMTVIZLR-CTNGQTDRSA-N 450.543 2.284 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cn2ccc3ccccc32)nnc1N1C[C@H](C)O[C@@H](COC)C1 1749738052 DDOPFUWPIPMMFB-AZUAARDMSA-N 473.599 2.122 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(Cc2ccncc2)n1C[C@@H]1CCS(=O)(=O)C1 1749808378 BLYOXHVUVRXSEQ-QFIPXVFZSA-N 480.594 2.223 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H]1CC=CCO1)[C@@H]1CCS(=O)(=O)C1 1760182511 JRYUWCRKEYLNJE-NHCUHLMSSA-N 483.594 2.119 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCCN(C)CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1760186513 CXRXWSHAXWHDRP-IAGOWNOFSA-N 477.553 2.031 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC(=O)NCc2ccco2)CC1 1760253589 GICHAHKZRMSOFR-GOSISDBHSA-N 466.517 2.222 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Br)c3)n2CCC(=O)N(C)C)CC1 1760267307 YYTZRIJTUOQGSO-UHFFFAOYSA-N 487.402 2.152 30 10 JEEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1760421635 WALLWTYOIRABCS-SZPZYZBQSA-N 485.677 2.497 30 10 JEEE C=CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCS(C)(=O)=O 1760440409 JHYRFCKESPIEPE-INIZCTEOSA-N 457.597 2.034 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1760517248 HSNFXDKAIRQGNR-MRXNPFEDSA-N 462.501 2.153 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@@H](C)O[C@H](C)C1 1760548229 BIXJAWGBUPTTLB-HZPDHXFCSA-N 482.006 2.076 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1760551062 SAJILVVTLLWVME-QAPCUYQASA-N 495.552 2.110 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCO[C@H](c2cccc(OC)c2)C1 1760556535 HBEQLQWLVJSLFE-QFIPXVFZSA-N 483.594 2.451 30 10 JEEE Cc1noc(C)c1[C@@H](C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1762638817 DSNARIKQXFLEHG-INIZCTEOSA-N 477.573 2.418 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1CCn1cncn1 1764129461 BLCHMDUHLHGMCD-UHFFFAOYSA-N 477.573 2.408 30 10 JEEE CC[C@@H]1CCCCN1CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1765097830 HMEAPOIWLGTSPR-NHCUHLMSSA-N 451.575 2.032 30 10 JEEE CCS(=O)(=O)N(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N(C)C[C@@H]1CCCOC1 1766698693 ANOJKKVNQSPLOL-IBGZPJMESA-N 460.604 2.351 30 10 JEEE Cc1c([C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C(=O)ON2C(=O)c3ccccc3C2=O)cnn1C 1772791810 GIAJLWJFAHVFPL-ZWKOTPCHSA-N 454.483 2.433 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCNC(C)=O)[C@@H]2c2cc(OC)c(O)c(OC)c2)cc1F 1862645863 RYFRIVDPUGJOPZ-HXUWFJFHSA-N 488.468 2.272 30 10 JEEE CC(=O)Oc1ccc(C[C@H](NC(=O)CC[C@H]2CCS(=O)(=O)C2)C(=O)Nc2cccc(C#N)c2)cc1 1866930197 ZDIZPAFCCSLAMZ-CVDCTZTESA-N 497.573 2.364 30 10 JEEE C=CCn1c(C(=O)NCCCOC(C)C)cc2c(N3CCN(C(=O)OCC)CC3)ncnc21 1873593096 FHMZOZDJFRHDBS-UHFFFAOYSA-N 458.563 2.441 30 10 JEEE CCOc1c(/C=N/n2c(CNC(C)=O)nnc2SCC(=O)Nc2nccs2)cccc1OC 1874433044 AOEDWXQAEKOGFB-AUEPDCJTSA-N 489.583 2.391 30 10 JEEE COc1cc(C(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)ccc1Br 1889437381 SMXVKWQAOQPSLB-UHFFFAOYSA-N 464.404 2.330 30 10 JEEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H]1C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 1892278578 SFYGVLLFBZFCPV-HXUWFJFHSA-N 458.540 2.386 30 10 JEEE CC(C)(C)OC(=O)NCC(CNC(=O)OC(C)(C)C)NCCS(=O)(=O)c1ccc(C#N)cc1 2116934907 GUCCSPXDKODFPW-UHFFFAOYSA-N 482.603 2.340 30 10 JEEE CC(C)(C)OC(=O)N[C@H](C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1)[C@H](O)C(F)(F)F 2254211541 HHXICQKHOOBECM-IKGGRYGDSA-N 456.465 2.039 30 10 JEEE CC(C)(C)OC(=O)NCCN(CCO)C(=O)c1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2266988984 XERPILOQGNXZCC-UHFFFAOYSA-N 452.332 2.084 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2C(NS(=O)(=O)c3ccccc3B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2267372589 QJDGNBJDJTZTHI-HUUCEWRRSA-N 464.393 2.129 30 10 JEEE CC1(C)OB(c2cscc2S(=O)(=O)NC[C@H]2COCCN2Cc2ccccc2)OC1(C)C 2267727319 IODBHVSUDLKLMN-SFHVURJKSA-N 478.445 2.227 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCOC[C@H]1NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2267729820 QGHDABLQZMPZDD-HUUCEWRRSA-N 488.437 2.008 30 10 JEEE Cc1csc(CNC(=O)[C@H]2C[C@@H](O)CN2C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2268634967 MEEMMTONGYTUKZ-HUUCEWRRSA-N 466.409 2.342 30 10 JEEE C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)CO1 2268635179 OMKOPWHXPFJJEQ-KGLIPLIRSA-N 467.397 2.083 30 10 JEEE CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1sccc1B1OC(C)(C)C(C)(C)O1 2268639047 LYNMUKUAVHVHIV-OAHLLOKOSA-N 468.381 2.120 30 10 JEEE N#Cc1ccc(Br)cc1NS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2270513722 JCODGNHHEJXFQK-MRXNPFEDSA-N 482.312 2.442 30 10 JEEE CC1(C)OB(c2cnccc2C(=O)NC2(CN)CCN(Cc3ccccc3)CC2)OC1(C)C 2281803807 BYBIFJIJUOONJK-UHFFFAOYSA-N 450.392 2.104 30 10 JEEE Cc1nn(C)c(C(=O)N[C@@H]2C[C@H](C)CN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2281987920 FPBYSRABYXEOFB-GOEBONIOSA-N 462.400 2.403 30 10 JEEE CC1(C)OB(c2nscc2C(=O)NC[C@]23CN(Cc4ccccc4)C[C@@H]2CCO3)OC1(C)C 2282006536 VTERNJDGZQCJOP-UUOWRZLLSA-N 469.416 2.463 30 10 JEEE CC(C)(C)OC(=O)NCC1(NC(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CCOCC1 2282103080 PGTNTJKAVJSOMT-UHFFFAOYSA-N 461.368 2.185 30 10 JEEE CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2282396198 WMGUCSKXQOMVNX-MSOLQXFVSA-N 464.343 2.489 30 10 JEEE Cn1ncc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C23CCC3)c1B1OC(C)(C)C(C)(C)O1 2282561083 QHJMVTRSMFMXKC-INIZCTEOSA-N 460.384 2.381 30 10 JEEE C[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2CN1C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2282568367 BGHGAJWEXVGPDC-BFYDXBDKSA-N 460.384 2.047 30 10 JEEE Cn1ncc(C(=O)NC2[C@H]3CC[C@H]2CN(C(=O)OC(C)(C)C)C3)c1B1OC(C)(C)C(C)(C)O1 2282572416 KXCBPLYASQSNBR-GJZGRUSLSA-N 460.384 2.095 30 10 JEEE Cc1cc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)cc(C)c1B1OC(C)(C)C(C)(C)O1 2282654669 LKTCPNWSEYIUQW-QZTJIDSGSA-N 460.380 2.313 30 10 JEEE CN(C[C@@H]1CCCN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1)C(=O)OC(C)(C)C 2282706111 HWAJAJUXUQSZNF-INIZCTEOSA-N 460.384 2.495 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H](NC(=O)c3ncncc3B3OC(C)(C)C(C)(C)O3)C[C@H]1C2 2282706999 TUWUVEKCOVDYAR-HRCADAONSA-N 458.368 2.294 30 10 JEEE Cn1cc([C@@H](NC(=O)OC(C)(C)C)C(=O)NCc2ccc(B3OC(C)(C)C(C)(C)O3)s2)nn1 2283972514 RXUWUOYCQDVTEK-MRXNPFEDSA-N 477.396 2.058 30 10 JEEE C=C(CS(=O)(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)OC)B1OC(C)(C)C(C)(C)O1 2289603155 ZGIIJYLQBJGFJV-INIZCTEOSA-N 490.428 2.330 30 10 JEEE COC(=O)c1[nH]c(C)c(C(O)=C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2cccc(OC)c2)c1C 2296079340 JGFZGUNFQQFTPL-HXUWFJFHSA-N 455.511 2.410 30 10 JEEE CCOc1ccc(C(O)=C2C(=O)C(=O)N(CCOCCO)[C@H]2c2ccc(O)c(OC)c2)cc1 2296318910 BPILFNQIHWILQK-NRFANRHFSA-N 457.479 2.230 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC(NC(=O)OCc2ccccc2)CC1 2315534034 PROKEAKTFADISN-UHFFFAOYSA-N 468.363 2.250 30 10 JEEE C[C@H]1[C@@H](NC(=O)C(F)(F)F)[C@H](C)CCN1C(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2337329597 DTFYAGAEHFESDI-MDZLAQPJSA-N 461.315 2.360 30 10 JEEE COc1nc(O[C@@H]2COC[C@H]2N(C)C(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2339825386 PGYKKNKWAXVNTA-HZPDHXFCSA-N 450.341 2.403 30 10 JEEE C[C@H](C#CC(=O)O)NC(=O)Nc1cc(I)cc(I)c1 2341176595 IGMLYNHXJBSQBK-SSDOTTSWSA-N 484.031 2.494 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H](CO)C(=O)Nc1cc(F)c(F)cc1B1OC(C)(C)C(C)(C)O1 2351768696 AUWJQURJJDDLAJ-LBPRGKRZSA-N 456.295 2.336 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 2362344227 PEHRLLRELFMWII-MUJYYYPQSA-N 460.384 2.380 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)C1 2362356972 KLCUSSZZTNUTCW-HOTGVXAUSA-N 462.400 2.485 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H]3CCC[C@@H]32)n1 2367685115 OPGULJOWMDWSPO-DLBZAZTESA-N 460.384 2.333 30 10 JEEE C=CCn1c(C(=O)N2CCN(c3ccccn3)CC2)cc2cc(S(=O)(=O)N(C)C)ccc21 35509487 DFWBDPLAGDHQMV-UHFFFAOYSA-N 453.568 2.435 30 10 JEEE NS(=O)(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@H]2c2ccccn2)cc1 170353471 SPTPBXZZZATGGZ-HXUWFJFHSA-N 479.470 2.241 30 10 JEEE COc1ccc(NC(=O)CSc2nnc(NN=Cc3ccccc3[N+](=O)[O-])n2N)c(C)c1 1084102554 ZWIGXZFMKDDDLO-UHFFFAOYSA-N 456.488 2.394 30 10 JEEE C=CCn1c(S)nc2cc(C(=O)NCc3ccc(N(C)S(C)(=O)=O)cc3)ccc2c1=O 1136662449 KJYIPBJFBXFXCL-UHFFFAOYSA-N 458.565 2.197 30 10 JEEE C[C@H](CC(=O)N(C)CC(=O)N(C)[C@H](C)c1ccccc1)/N=C1/NS(=O)(=O)c2ccccc21 1155204011 GKXDJUPDGHFQRA-IAGOWNOFSA-N 456.568 2.182 30 10 JEEE C=CCn1c(S)nc2cc(C(=O)NCc3cccc(N(C)S(C)(=O)=O)c3)ccc2c1=O 1161891121 RQHOPWUTCNLTFL-UHFFFAOYSA-N 458.565 2.197 30 10 JEEE C=CCN(C(=O)Nc1ccc(CC(=O)N2CCN(c3ncccn3)CC2)cc1)[C@H](C)COC 1197440164 HTCUYIQKWJETCD-LJQANCHMSA-N 452.559 2.423 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1286281770 IXBUCSZWCLMDRK-FDDCHVKYSA-N 460.600 2.378 30 10 JEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cccc(C(=O)N(C)C)c1 1286370858 ULKGLGQMUZQONP-UHFFFAOYSA-N 465.583 2.058 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CCc1ccc(C)cc1C)[C@H]1CCS(=O)(=O)C1 1286385698 ZAWCWSGRVJQFBX-DHLKQENFSA-N 486.638 2.416 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCC(=O)N[C@H](C)CC)CC1 1286485636 SAMFPJPAPHFQFL-UXHICEINSA-N 487.649 2.410 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2C[C@H]2CCCCO2)CC1 1286491308 MNNNWTLPYPJGSW-OAQYLSRUSA-N 451.571 2.412 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1286555907 MDEUJPBWSHOIHT-WOZUAGRISA-N 481.663 2.261 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1286567853 WXIYUIVIZATOMF-RCZVLFRGSA-N 481.645 2.236 30 10 JEEE C=C(C)Cn1c(N2CCN(CC(=O)NC3CCC(C)CC3)CC2)nnc1[C@@]1(OCC)CCOC1 1286599622 XGAPGQIFONACLT-UXIGSVSMSA-N 474.650 2.323 30 10 JEEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](c2cccc(F)c2)C1 1286608623 SLNHWHNXPFVJRS-TZIWHRDSSA-N 493.605 2.337 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1286677827 KPXALQXCIGFURQ-UNMCSNQZSA-N 474.650 2.349 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccn(C)n1 1286741028 ASFYCPQYHWTRJP-LJQANCHMSA-N 451.556 2.026 30 10 JEEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1286789730 HGVHEYLZBIBCEB-NRFANRHFSA-N 478.601 2.424 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1286815289 QOTIHPQIKWHJKX-QGZVFWFLSA-N 473.020 2.213 30 10 JEEE C[C@@H]([C@@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCCS1(=O)=O)S(C)(=O)=O 1286976503 FIYRKLOCOPJCBU-GJYPPUQNSA-N 479.628 2.042 30 10 JEEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cccs1)[C@H]1CCS(=O)(=O)C1 1300483645 MKYKUQCGLXPHTO-LAUBAEHRSA-N 464.613 2.055 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Cl)n1CC1(S(C)(=O)=O)CCC1)[C@@H]1CCS(=O)(=O)C1 1300488262 PVDGWFVKABRMNZ-MRXNPFEDSA-N 497.042 2.193 30 10 JEEE C#CCN(c1nnc([C@@H]2COc3ccccc3O2)n1CCSCC=C)[C@H]1CCS(=O)(=O)C1 1300495406 HBRFTNVFZYDYEX-PXNSSMCTSA-N 474.608 2.337 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1Cc1ccc(OC(C)(C)C)nc1)[C@H]1CCS(=O)(=O)C1 1300500750 CUQNJDCCETXYON-IBGZPJMESA-N 457.600 2.478 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CCCS(=O)(=O)C1 1300595471 BIRXXHHJYDHQIM-AQNXPRMDSA-N 489.642 2.337 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](c2ccc(C)cc2)N(C)C)CC1 1300710963 QVVWPNDTYKDZPZ-HSZRJFAPSA-N 491.640 2.091 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2OC)n1C[C@]1(O)CCS(=O)(=O)C1 1300790454 RCOLDZNXVDPHBM-NHCUHLMSSA-N 464.975 2.149 30 10 JEEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1301002169 VYPGVZLOMKZKNX-YDHSSHFGSA-N 450.580 2.369 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCOC[C@@H]1C 1301411289 XFCFQHWKPYGGAP-ZJOUEHCJSA-N 493.630 2.112 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 1301490529 ACOIAELKKFQXDG-UHFFFAOYSA-N 468.949 2.479 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1301514294 ITERSJWDOCRRNQ-FQEVSTJZSA-N 475.615 2.180 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCS[C@H](C)[C@@H]1C 1301584732 CQNWGAQFBSSYMQ-JKSUJKDBSA-N 488.639 2.123 30 10 JEEE COCC[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(Cc2cscn2)CC1 1315966682 GPIBNJDRLTYYNI-HSZRJFAPSA-N 467.599 2.383 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@](C)(O)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1358961066 QYUHAKZVUYAKJJ-OFNKIYASSA-N 457.600 2.298 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1cn(CCCC)nc1C)[C@@H]1CCS(=O)(=O)C1 1358961740 DNJCFSOBRZURNN-PZJWPPBQSA-N 474.631 2.152 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(-c3ccccc3)on2)n1CCC(=O)N1CCOCC1 1358991745 MXUSZCLASAPTAU-UHFFFAOYSA-N 458.522 2.312 30 10 JEEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cccc(NC(C)=O)c1 1359022485 BFXJWCFVCQWAID-UHFFFAOYSA-N 495.609 2.331 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCSCCCO)CC1 1359034797 CSPZZVFZLRUURV-HXUWFJFHSA-N 492.690 2.263 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](c2cccc(F)c2)N(C)C)CC1 1359044049 SPCKVRBVWOYLCL-JOCHJYFZSA-N 478.576 2.086 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1359256400 DYTNBTTYBOXGCX-NHCUHLMSSA-N 470.599 2.128 30 10 JEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N(CC)Cc1nc(O)c2sccc2n1 1359304277 SYWLXJVJJDZPIO-UHFFFAOYSA-N 481.586 2.179 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@H]2OCC[C@H]2C)C1 1359314552 CVYFWJHPOFAKJA-SLYNCCJLSA-N 475.615 2.402 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccnc2OCCC)C1 1359321791 LSEJRRJJKVQWBH-OALUTQOASA-N 461.588 2.194 30 10 JEEE CC(C)(C)[S@](=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@@H](C#N)C1 1359588025 HKLAYZHIGRSYLK-JGTBNHKDSA-N 455.382 2.312 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1360466550 FTZPTARRRGKRDE-GHTZIAJQSA-N 474.569 2.279 30 10 JEEE C[C@H](CC#N)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCN(C)CC(F)(F)F 1360469570 DXOQLSRYPSOHQR-OAHLLOKOSA-N 487.552 2.428 30 10 JEEE N#Cc1cc(S(=O)(=O)N(Cc2cccnc2)[C@H]2CCS(=O)(=O)C2)ccc1C(F)(F)F 1462739272 FUHBUOITNAXDOV-HNNXBMFYSA-N 459.471 2.350 30 10 JEEE C[C@H](CNC(=O)CNS(=O)(=O)c1cccc(C#N)c1)Oc1ccccc1Br 1472523186 HRSSFXHQPNFIFR-CYBMUJFWSA-N 452.330 2.183 30 10 JEEE CC[C@H](C)N(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1496121401 FUOHECFDBOUHPP-PXNSSMCTSA-N 476.589 2.079 30 10 JEEE CS(=O)(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2CCOCC2)C1 1505128684 CJZGPSPZNZVJNZ-HXUWFJFHSA-N 459.572 2.169 30 10 JEEE C#CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCN1CCC(O)CC1 1507610405 GSEBBYDZBSPNBL-IBGZPJMESA-N 460.623 2.309 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H]1CCC[C@@H](O)C1)[C@H]1CCS(=O)(=O)C1 1507623764 WYYGCUJFIVBGNZ-BAGYTPMASA-N 499.637 2.325 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H](c1cccnc1)C(C)C)[C@@H]1CCS(=O)(=O)C1 1507632460 LPMDESSTIPBVFI-NJYVYQBISA-N 457.600 2.244 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1Cc1oc(CC)nc1C)[C@H]1CCS(=O)(=O)C1 1507634669 LEYJOOWWWOOKTQ-KRWDZBQOSA-N 459.597 2.464 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CCN2CCOC[C@@H]2C)CC1 1507720790 MVAFOGHOYUGWSJ-IBGZPJMESA-N 487.446 2.492 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(OC)cc2)CC1 1507740912 QSAYOQLDYAJMAA-UHFFFAOYSA-N 492.605 2.292 30 10 JEEE C#CCSCCn1c(N2CCCN(C(C)=O)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1507757708 BFAFKGIRJPVXJO-KDURUIRLSA-N 476.647 2.474 30 10 JEEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1507784965 NNZYKGWGPLDSLB-HNNXBMFYSA-N 476.441 2.379 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1508086068 KRSBFYFOYNTEJE-HXUWFJFHSA-N 484.601 2.209 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC2(O)CCS(=O)(=O)CC2)C1 1508131048 KJVWKPYDPVWQLZ-FQEVSTJZSA-N 490.626 2.195 30 10 JEEE CCOc1ccc(O[C@H](C)c2nnc(N3CCO[C@@H](C#N)C3)n2CCCN2CCOC2=O)cc1 1516306610 DBAJXQBZWMIWCE-XLIONFOSSA-N 470.530 2.388 30 10 JEEE CO[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N(C)C)CC1)C(C)(C)C 1517825932 DTGZTDWVAOVSNI-FQEVSTJZSA-N 453.591 2.088 30 10 JEEE C=C(Cl)C[C@@H](NC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c1)C(=O)OCC 1535344925 LDJSHGJHEMWLOP-RVKKMQEKSA-N 458.964 2.289 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1538974114 RZRHDQPQXMFSCA-SJLPKXTDSA-N 490.450 2.447 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@H](C)c1nc(C)cs1)[C@@H]1CCS(=O)(=O)C1 1539203170 NZAXUDVYCVBXCY-MAUKXSAKSA-N 492.671 2.392 30 10 JEEE C#CCN(c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1539212683 RBVYATSRVYMOGE-WMZOPIPTSA-N 489.667 2.283 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H](C)c1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1539221919 SOEPRSFYEZDQAF-ATZDWAIDSA-N 461.588 2.207 30 10 JEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1(SC)CCN(C)CC1 1539258469 XOUKMPJEBVANBX-UHFFFAOYSA-N 485.683 2.138 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](OC(C)C)c1ccccc1OC 1539266181 MZAHONUPGNALLW-KNQAVFIVSA-N 470.595 2.428 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1snnc1C 1539315376 KSICKYYUYCNDSB-UHFFFAOYSA-N 458.551 2.346 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC1=CCc2ccc(OC)cc21 1539416365 MRLRBCLSIOEVLN-FQEVSTJZSA-N 470.595 2.305 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2CCS(=O)(=O)CC=C)CC1 1539437714 HCNYTQRTTOHCFY-GOSISDBHSA-N 473.668 2.487 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N1CCC(C(=O)NCCOC)CC1 1539636462 KPAKPNPYQFJDIS-OFNKIYASSA-N 468.602 2.224 30 10 JEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1539810667 CTYJUJVUEJACDK-MSOLQXFVSA-N 450.967 2.393 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1540904878 RCNUVNSIVGPUHF-UHFFFAOYSA-N 481.644 2.446 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1540905602 UGFXJPRBSJLABC-GOSISDBHSA-N 451.637 2.210 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CCC[C@H](n2cncn2)C1 1540907337 SSMZDEAFMSPOHQ-FQEVSTJZSA-N 455.588 2.097 30 10 JEEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1540913122 ISUMCUXMDQWPNG-WOJBJXKFSA-N 486.690 2.224 30 10 JEEE COc1ccncc1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(C#N)CC1 1555120772 HDVMMAJQSFOYAW-UHFFFAOYSA-N 481.582 2.387 30 10 JEEE C#C[C@@H](NC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1F 1563749694 KNLWFHVACBZUKV-QGZVFWFLSA-N 454.867 2.339 30 10 JEEE C#CCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1587809008 XGSZVBVVJALNQP-SFHVURJKSA-N 470.549 2.144 30 10 JEEE C#CCCCn1c(-c2cccn2C)nnc1N1CCN(Cc2nc([C@H](C)OCC)no2)CC1 1587838477 WPADJGCKWLSRCX-SFHVURJKSA-N 452.563 2.500 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCSc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1588050333 RJVDEHQJWKFEFI-LJQANCHMSA-N 470.624 2.406 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1ccc(OC(C)C)nc1)[C@@H]1CCS(=O)(=O)C1 1588055411 VTUKLCMLSSJEML-VQTJNVASSA-N 473.599 2.029 30 10 JEEE C#CCN(c1nnc(CC)n1C[C@@H]1C[C@H](F)CN1Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 1588059607 QVANPFCUTIKUBJ-KSZLIROESA-N 465.620 2.141 30 10 JEEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1CCC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1588070316 YMTVEZMVFSQJFY-SFHVURJKSA-N 494.017 2.052 30 10 JEEE C#CCN(c1nnc(COc2ccccc2OC)n1Cc1ccc(C#N)o1)[C@H]1CCS(=O)(=O)C1 1588070343 ZBTGYIABIGEONP-KRWDZBQOSA-N 481.534 2.005 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)(C)C)n2Cc2ccc(NC(C)=O)nc2)n1 1588696612 MTNTUMZUDPSJKI-UHFFFAOYSA-N 464.574 2.460 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC)n2C[C@H]2CN(Cc3ccccc3)CCCO2)CC1 1588946555 DSOCNDXHBJTSPN-HSZRJFAPSA-N 464.614 2.097 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2CCSCC#C)CC1 1588962245 YMWSDVASOCKDFC-UHFFFAOYSA-N 455.559 2.328 30 10 JEEE C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C(C)C)C1 1589405558 RVXDKRBSYAQRHC-LSDHHAIUSA-N 462.414 2.002 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CCS(=O)(=O)CC1 1589545082 LIVMCWHSBPPALL-MGPUTAFESA-N 452.527 2.363 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCCC[C@@H]1CC)C1CC1 1595058969 YNWDFTQVAJJVCU-ICSRJNTNSA-N 466.652 2.030 30 10 JEEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1595314044 DMMBKBLUABRHJQ-IBGZPJMESA-N 455.950 2.458 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1CCN(c2ncc(F)cn2)CC1 1595594797 PMTQJWVJSPXCGW-UHFFFAOYSA-N 498.588 2.137 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C)CNC(=O)OC(C)(C)C)C1 1595720624 AEHFJYVEXTZGLM-RCCFBDPRSA-N 483.635 2.122 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(Cc1c(F)cccc1F)C1CC1 1595789552 WRPUNVDGPWZVLC-GOSISDBHSA-N 465.526 2.277 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1595812718 ZUWGQEFHRKVGFK-QGZVFWFLSA-N 467.617 2.246 30 10 JEEE C[C@H](C#N)CN(C)c1nnc(CNC(=O)c2cccs2)n1Cc1cccc(CS(C)(=O)=O)c1 1596849483 HFMZSJUCNFCIOZ-MRXNPFEDSA-N 486.623 2.458 30 10 JEEE C[C@H]1COC(C)(C)CN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H](C)N1CCOCC1 1611600851 HHIYLCXUGKGUBR-MOPGFXCFSA-N 454.575 2.453 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@H](C)N(C)C 1613585851 CJKPSPIVKMBRGX-SFHVURJKSA-N 452.607 2.345 30 10 JEEE N#C[C@@H]1CN(c2nnc(-c3ccc(F)cc3Br)n2C[C@@H]2CCCS(=O)(=O)C2)CCO1 1620354290 BFIGYOBNIQNVIH-DZGCQCFKSA-N 498.378 2.400 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)N2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)ccc1F 1637950853 RCTJRCGCGFGUJL-DOTOQJQBSA-N 453.536 2.371 30 10 JEEE C=CCOC[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1)C(=O)OC 1639559095 UBCQAJFDQDESSO-KRWDZBQOSA-N 458.964 2.379 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCn1cc(Br)cn1 1689848060 NTXICMRNDRZKLE-AWEZNQCLSA-N 481.358 2.309 30 10 JEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(=O)Nc2ccccc2)CC1 1689874971 HDBXBBNOSCLIRG-GOSISDBHSA-N 487.630 2.482 30 10 JEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 1689893165 VYSQLEGAOTXFGI-LJQANCHMSA-N 473.574 2.085 30 10 JEEE C#CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1689928119 HKNPEWAVGXTGSR-UXHICEINSA-N 474.606 2.147 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@](C)(O)c1cccs1)[C@@H]1CCS(=O)(=O)C1 1689984458 PRJJXKUGEBWNFZ-XXBNENTESA-N 481.603 2.413 30 10 JEEE C#CCN(CC#CC)c1nnc(COc2ccc(Br)cc2)n1C[C@H]1COCCO1 1690053966 LDZRIBLQLACYPB-IBGZPJMESA-N 459.344 2.498 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)s3)n2CCCN2CCC(O)CC2)CC1 1690115723 QKLNBUGBVMHHQN-UHFFFAOYSA-N 493.475 2.371 30 10 JEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)CC1 1690132816 XQAIZPYFMDNYOU-HXUWFJFHSA-N 470.622 2.150 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC(=O)NC(C)C)CC1 1690139340 IOBGVCYHJYCJRR-UHFFFAOYSA-N 472.977 2.098 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)C[C@@H](C)C(=O)NC 1690245742 MLAMCLUXZGJWND-FGSXEWAUSA-N 493.612 2.474 30 10 JEEE C=C(C)CN(CC)c1nnc(C(=O)N2CCCC2)n1CC(=O)N1CCN(c2ccccc2)CC1 1690255944 YWEYEYIJWIUWKE-UHFFFAOYSA-N 465.602 2.265 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 1690722523 MIOOOANDPRZXAD-UHFFFAOYSA-N 474.631 2.349 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1C[C@H](C)O[C@H](c2ccccc2)C1 1690722719 SWZKOTMFDILZOV-PXNSSMCTSA-N 454.556 2.302 30 10 JEEE CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCc1ccn(-c2ccc(F)cc2)n1 1692521949 GPYAOWIKMASZGK-JOCHJYFZSA-N 454.485 2.426 30 10 JEEE CCN1C[C@H](C)N(c2nnc(-c3cccc(C#N)c3)n2CC2(C(N)=O)CCOCC2)C[C@@H]1C 1695802585 BLOSSBRAMUXWGR-ROUUACIJSA-N 451.575 2.018 30 10 JEEE CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(OC)CCC(C)CC2)CCO1 1696972433 FIZZKAABJINFMB-BAMNPNLJSA-N 482.585 2.275 30 10 JEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1705538471 PTSUAAMKKLQKGF-UHFFFAOYSA-N 463.567 2.040 30 10 JEEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@]1(N2CCOCC2)CCSC1 1705558723 GRZUAFVIMUTNQR-GLDPYIMESA-N 490.674 2.326 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CC(C)(C)CN(C)C)[C@@H]1CCS(=O)(=O)C1 1705563074 QFHWMUIFZCBHFT-HXUWFJFHSA-N 454.600 2.031 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CCc1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1705569861 KPROSKCGACLPKH-OAQYLSRUSA-N 465.579 2.142 30 10 JEEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2CC2(CS(C)(=O)=O)CC2)CC1 1705642507 WGTZHSKKTNWTIA-UHFFFAOYSA-N 471.627 2.054 30 10 JEEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1705656697 GDQRRHHNKATFMW-HXUWFJFHSA-N 485.610 2.156 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(OC)c(F)c1)C1CC1 1705854025 HGXDYMRYSRTLNA-FQEVSTJZSA-N 479.578 2.156 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CCSC1 1705859499 BGULWSGLZIHWHO-UGKGYDQZSA-N 473.624 2.112 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 1705900300 YGUKAZNBJJRWTN-QGZVFWFLSA-N 452.494 2.115 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1cc(Br)ccc1F 1722277686 OHQWZTMXAFSUFV-STQMWFEESA-N 472.384 2.491 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@H](C(C)C)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1722372563 ZESXEVHIFAWRJF-DNQXCXABSA-N 499.681 2.047 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2ccccc2OCCN(C)C)CC1 1722437083 PJSVCVVWRBHKDZ-QHCPKHFHSA-N 452.603 2.264 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCCN2CCCC[C@@H]2C)CC1 1722442124 XMNYUCQUMPSEBJ-FQEVSTJZSA-N 469.659 2.289 30 10 JEEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CCCN(C(=O)C(C)C)CC1 1722486581 AHGAPPVHYXGQKU-UHFFFAOYSA-N 453.385 2.004 30 10 JEEE C=CCCCCn1c(N2CCC3(CC2)NC(=O)N(C)C3=O)nnc1[C@]1(OC(C)C)CCOC1 1722609632 FSVABJCNKVTEJD-QHCPKHFHSA-N 460.579 2.196 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1722706961 BVMWEXOVSVWPQP-IRXDYDNUSA-N 492.502 2.347 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCN2CCCO[C@H](C)C2)C1 1722719926 CHLMWUDDEJOLAJ-YADHBBJMSA-N 457.623 2.422 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCCN(CC)C(=O)C1 1722723756 DKYDUGRIYOAYKN-KRWDZBQOSA-N 479.578 2.217 30 10 JEEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1740577711 NBYTXBSONAMAQI-GOSISDBHSA-N 489.609 2.450 30 10 JEEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1740578104 XQZKKQNGRIBRLN-FPOVZHCZSA-N 497.669 2.062 30 10 JEEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccnc(Oc2ccccc2F)c1 1740599632 DERCKQYHTNDDJD-OAHLLOKOSA-N 458.519 2.332 30 10 JEEE C#CCN(c1nnc(CC)n1Cc1ccc(N2CCSCC2)cc1)[C@@H]1CCS(=O)(=O)C1 1740627026 XJPQZLZFRMMFDQ-HXUWFJFHSA-N 459.641 2.069 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCNC(=O)C1CCC1 1740668894 DDMPKDLLCMJILO-UHFFFAOYSA-N 461.570 2.441 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C 1740671362 FRZJWCQRRWUEJP-SJORKVTESA-N 451.593 2.039 30 10 JEEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 1740715771 NKLMBORYQABZPO-UHFFFAOYSA-N 455.613 2.377 30 10 JEEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)c2c(F)cccc2F)CC1 1740718220 KBOGOAPITBUOQB-INIZCTEOSA-N 461.538 2.389 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](c1cccs1)N(C)C 1740724546 FPTHUAGEBKMQRH-TWOQFEAHSA-N 450.634 2.245 30 10 JEEE C=C(C)COCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1740793087 PERIPCAVFQPBNZ-UHFFFAOYSA-N 487.004 2.042 30 10 JEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2cnc3c(Cl)cnn3c2)CC1 1740833720 WSWLYIRTZXIJJD-AWEZNQCLSA-N 479.010 2.230 30 10 JEEE C=CCN(CC=C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1740926274 UMMRMAZERNLTMV-KKSFZXQISA-N 450.536 2.285 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1740964499 PTGTWOPWXPYHKT-UHFFFAOYSA-N 483.642 2.471 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1740964534 QITSJTFDEMSSDM-UHFFFAOYSA-N 490.612 2.455 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(CNC(C)=O)CC2)cc1 1740967909 UIQJLIZULAAFMV-OAQYLSRUSA-N 487.626 2.146 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC2CCN(CC)CC2)C1 1740981117 NXQBWHFMSPWQFX-VQTJNVASSA-N 451.637 2.084 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1740990858 HWNXSMOJBANZNN-HDICACEKSA-N 465.620 2.450 30 10 JEEE CC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C(C)C)N2CCOCC2)C1 1741073580 DWYYDPQSORLKNA-PKTZIBPZSA-N 465.602 2.278 30 10 JEEE C[C@H]1CN(CCCn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@](C)(C(N)=O)C2)CCCO1 1743335341 BEASALBOSQWQSG-UUOWRZLLSA-N 451.575 2.019 30 10 JEEE CNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2CCN(C(=O)OC)CC2)CC1 1748196167 ABPIEAZNFQBQFP-UHFFFAOYSA-N 465.558 2.258 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CCC2(OC)CCC2)c1 1748691979 ANLICRVPKMHXFG-LJQANCHMSA-N 450.543 2.245 30 10 JEEE C#CCCCCn1c(-c2cccc(OC)c2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1748703379 OMNBSQWPFOXUBL-QFIPXVFZSA-N 487.626 2.388 30 10 JEEE C#CCCCn1c(C2CCC2)nnc1N1C[C@@H]2[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1748748101 RGLPTJGNFFRYLC-FGTMMUONSA-N 463.604 2.086 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCCNC(C)=O)[C@@H]1CCS(=O)(=O)C1 1748803889 AXDIKZRSOSCXFV-TZIWHRDSSA-N 487.626 2.188 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1c(C)nn(Cc2ccccc2)c1C 1748846766 LILICGLXIUDRKN-JOCHJYFZSA-N 476.606 2.163 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC2CCN(C(C)=O)CC2)CC1 1749006597 UCXXGFFBWWELOS-UHFFFAOYSA-N 484.004 2.218 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2cc(Cl)c(OC)c(OC)c2)CC1 1749008816 BXQSBPKCVNNQGH-GOSISDBHSA-N 487.988 2.467 30 10 JEEE C#CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(C(=O)OCC)CC1 1749038568 UQJYUCXQENQKDI-LJQANCHMSA-N 457.556 2.436 30 10 JEEE C=C(C)COCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](NC(C)=O)C1 1749230174 UMISNDNNIWDZIH-VQTJNVASSA-N 492.621 2.284 30 10 JEEE C=CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 1749608053 HJEIFICLZKWTQF-LJQANCHMSA-N 485.614 2.398 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@@H]1c1nncn1C 1749657579 BGZQEZPKEKFQRE-MRXNPFEDSA-N 456.938 2.379 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](CC(C)C)N(C)C)c1 1760128933 WOSZFAXRTBVGDW-RTWAWAEBSA-N 465.602 2.262 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCOC(C)C)[C@H]1CCS(=O)(=O)C1 1760183586 SCAMSFNFINDNDK-FQEVSTJZSA-N 473.599 2.199 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1ccccc1OCCOC)[C@@H]1CCS(=O)(=O)C1 1760186324 BQAOVFXPOBHPCH-IRLDBZIGSA-N 488.610 2.220 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(Br)cc1 1760205790 JTUCAXLQZDVYME-KRWDZBQOSA-N 461.385 2.258 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2CCc2cn[nH]c2)CC1 1760255988 JRSYMUMQJRCSHD-UHFFFAOYSA-N 470.375 2.437 30 10 JEEE C=CCCOCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@](F)(C#N)C1 1760447041 IOAHGNLRTIXUAO-NRFANRHFSA-N 462.551 2.230 30 10 JEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C1CCCCC1)N(C)C)C1CC1 1760477135 QEQUDJCMUDWMKI-NHCUHLMSSA-N 480.679 2.276 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1760514841 GXPWSQUZQKQSLM-QGZVFWFLSA-N 489.378 2.132 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](CC)C1 1760523081 LTYCMSQSMZKSKX-DLBZAZTESA-N 470.578 2.167 30 10 JEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)O[C@@H](c2ccsc2)C1 1760557326 HUXAOBAMVKFJIS-FUHWJXTLSA-N 479.628 2.029 30 10 JEEE CC(C)OCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCCS2(=O)=O)CC1 1761323186 DMSJKTANQCRWQM-QFIPXVFZSA-N 486.642 2.331 30 10 JEEE CCCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCOC[C@H]2C)CC1 1766204621 FUXBBWQXKRWFKE-LJQANCHMSA-N 465.602 2.280 30 10 JEEE COC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1)OC 1770761120 GYOQCRMAORQQHF-NHCUHLMSSA-N 462.558 2.373 30 10 JEEE N#Cc1ccccc1S(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cn1 1858287974 MABUCEINMJBWDQ-UHFFFAOYSA-N 472.504 2.326 30 10 JEEE C#CCOC(=O)NS(=O)(=O)c1ccc(CCNC(=O)CCc2ccc(OC)c(OC)c2)cc1 1859012630 MGDMOIGDMRHTIV-UHFFFAOYSA-N 474.535 2.043 30 10 JEEE CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CCNC(C)=O)ccc1O 1862634352 WRIVXXKTSUCVIY-NRFANRHFSA-N 468.462 2.234 30 10 JEEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccc(F)cc1 1865724749 WZBCSXBOGUQLHE-QGZVFWFLSA-N 458.534 2.394 30 10 JEEE CC[C@H](NC(=O)CCS(=O)(=O)c1ccc(OC)c(OC)c1)C(=O)Nc1ccc(C#N)cc1 1866803977 ZDKDCVRFFPGVCB-SFHVURJKSA-N 459.524 2.273 30 10 JEEE Cc1cc(C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)Nc2cccc(C#N)c2)cc(S(N)(=O)=O)c1 1867238379 WRWLSUDKVIKJKV-JOCHJYFZSA-N 478.530 2.200 30 10 JEEE C=CCOc1cn(CCc2ccc(S(N)(=O)=O)cc2)c(CSc2ncccn2)cc1=O 1870244859 LLFMBHNQTRYTMA-UHFFFAOYSA-N 458.565 2.386 30 10 JEEE CCNC(=O)COc1cn(CCN2CCOCC2)c(CSc2nc(C)c(C)c(C)c2C#N)cc1=O 1870290141 QGTPHMGVFFPHSG-UHFFFAOYSA-N 499.637 2.180 30 10 JEEE C=CCn1cc(OCC(=O)Nc2cc(C)ccc2OC)c(=O)cc1CN1CCN(C(C)=O)CC1 1870424202 DTFLNEXUMGUKPV-UHFFFAOYSA-N 468.554 2.033 30 10 JEEE CCCCCCCCN=c1nc(N2CCN(CCO)CC2)[nH]c(=Nc2ccc3c[nH]nc3c2)[nH]1 1871701512 RFKCGVSBUJTLAM-UHFFFAOYSA-N 467.622 2.222 30 10 JEEE C=CCn1c(C(=O)NCCCN2CCCC2=O)cc2c(N(CCO)Cc3ccccc3)ncnc21 1873591291 GHYXBYHHSUAOLQ-UHFFFAOYSA-N 476.581 2.359 30 10 JEEE NC(=O)CSc1nnc([C@H]2CC(=O)N(Cc3ccccc3)C2)n1/N=C/c1cccc(F)c1 1874209322 BCTIWCVDYUOATJ-XMQIJXBMSA-N 452.515 2.393 30 10 JEEE COc1ccc([C@H]2[C@H](C(=O)N(C)C3CN(c4nccnc4C#N)C3)SCC(=O)N2C(C)C)cc1 1891340003 GCPWIJUIJRENLV-FCHUYYIVSA-N 480.594 2.098 30 10 JEEE C=C1C(=O)O[C@@H]2C=C(C)[C@H](OC(C)=O)CC=C(COC(C)=O)C[C@H](OC(=O)C(C)=CCO)[C@@H]12 2054741104 HPWMABTYJYZFLK-CZYKHXBRSA-N 462.495 2.096 30 10 JEEE C=C[C@]1(COc2ncnc(O)c2I)COCCN1C(=O)OC(C)(C)C 2079109339 KAAUPLDLSHGSDQ-MRXNPFEDSA-N 463.272 2.358 30 10 JEEE C=C(CS(=O)(=O)N1CCO[C@@H](CCNC(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2255956158 ZKIREKVZEWGVDR-INIZCTEOSA-N 460.402 2.119 30 10 JEEE CC(C)(C)OC(=O)N1CCN(c2nccc(B3OC(C)(C)C(C)(C)O3)c2F)[C@@](C)(CO)C1 2266063979 BTSADZUXDAUJLT-JOCHJYFZSA-N 451.348 2.328 30 10 JEEE CC(C)(C)OC(=O)N1CC(CCO)(CNC(=O)c2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2267166414 RQUHHKXKBMTHJL-UHFFFAOYSA-N 466.409 2.397 30 10 JEEE CN(C(=O)c1ccoc1B1OC(C)(C)C(C)(C)O1)[C@@]1(CNC(=O)OC(C)(C)C)CCOC1 2267291901 VZUIQCZVRBUGHO-JOCHJYFZSA-N 450.341 2.335 30 10 JEEE CC1(C)OB(c2cncc(S(=O)(=O)N3C[C@H]4C[C@H]3[C@@H]4NC(=O)OCc3ccccc3)c2)OC1(C)C 2267377062 FHXGZXSTDDAGKK-JRGCBEDISA-N 499.398 2.069 30 10 JEEE CC1(C)OB(c2cncc(C(=O)NC[C@@H]3CN(C(=O)OCc4ccccc4)CCO3)c2)OC1(C)C 2267589623 CONAIZPWYJVXGT-OAQYLSRUSA-N 481.358 2.148 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N(CCC(C)(C)O)Cc2ccccc2)n1 2267709574 DPRDMNPNCJBQSM-UHFFFAOYSA-N 463.409 2.071 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@H](NS(=O)(=O)c2ccc(F)c(B3OC(C)(C)C(C)(C)O3)c2)C1 2267710084 NJAWIPYFGNKGTM-HDJSIYSDSA-N 470.372 2.459 30 10 JEEE CN(Cc1sccc1B1OC(C)(C)C(C)(C)O1)C(=O)[C@@H]1C[C@H](O)CN1C(=O)OC(C)(C)C 2268646761 LJTYJQGIFQHXDL-HOCLYGCPSA-N 466.409 2.376 30 10 JEEE CC(C)(C)OC(=O)N(CCC(F)(F)F)CC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2268724454 LSTNFEADLWOZBI-UHFFFAOYSA-N 480.318 2.387 30 10 JEEE Cn1nc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)CC23CC3)cc1B1OC(C)(C)C(C)(C)O1 2281965398 JQKBOLFQRIMYPL-MRXNPFEDSA-N 460.384 2.239 30 10 JEEE Cc1nn(C)c(C(=O)N2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)c1B1OC(C)(C)C(C)(C)O1 2281983074 RHGJGKLGXZSYQJ-CVEARBPZSA-N 460.384 2.109 30 10 JEEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@H](F)[C@@H](NC(=O)c1cc(B3OC(C)(C)C(C)(C)O3)n[nH]1)C2 2281986177 OUVZZACCCPNZHQ-GZIXRCOHSA-N 464.347 2.317 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2CN(C(=O)OCc3ccccc3)CCO2)n1 2282039274 SKGRXAWACDCOCB-FQEVSTJZSA-N 495.385 2.457 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2C[C@H](CNC(=O)OC(C)(C)C)C2(C)C)n1 2282047488 YWCUVQZGHJZWQH-GDBMZVCRSA-N 462.400 2.389 30 10 JEEE Cn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@H]2N(C(=O)OC(C)(C)C)C3)nc1B1OC(C)(C)C(C)(C)O1 2282051229 SCOWYYVMNNETHR-BFYDXBDKSA-N 460.384 2.237 30 10 JEEE Cc1cccc(C(=O)N[C@@H](C)C2(O)CN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2282107234 INPDOEHVAINOMA-INIZCTEOSA-N 460.380 2.394 30 10 JEEE Cc1cc(C(=O)NC[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2282123153 QSSKCCMUMOXBCD-DEOSSOPVSA-N 460.380 2.396 30 10 JEEE CC(C)(C)OC(=O)N1CC2(CC(NS(=O)(=O)c3cncc(B4OC(C)(C)C(C)(C)O4)c3)C2)C1 2282288188 LGZDTDZKWMFABK-UHFFFAOYSA-N 479.408 2.059 30 10 JEEE C[C@@H]1OC2(C(=O)NCc3ncc(B4OC(C)(C)C(C)(C)O4)s3)CC1(NC(=O)OC(C)(C)C)C2 2284121676 FGZCHVJETLDDOL-MFBUALDNSA-N 479.408 2.273 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)NCCOCCN(C)C(=O)OC(C)(C)C 2285201368 DQXGKHQAVRDEMC-UHFFFAOYSA-N 463.384 2.303 30 10 JEEE CCOC(=O)[C@@H]1C[C@@H]2C(=NNC(N)=S)CCCC[C@@H]2N1S(=O)(=O)c1ccc(C)cc1 2295064307 RHOODRQSFWQUPU-NJAFHUGGSA-N 452.602 2.069 30 10 JEEE CN[C@@H](C#Cc1ccc(Br)cc1)[C@]1(NC(=O)OC(C)(C)C)CCS(=O)(=O)C1 2296309774 ALKKJDVPNQCCGJ-LPHOPBHVSA-N 457.390 2.471 30 10 JEEE Cn1ccc(C(=O)N2CCC([C@H]3CN(c4ccc(C#N)c(C(F)(F)F)c4)C[C@@H]3C(N)=O)CC2)n1 2297651104 ZPHAEAPZMDZPMF-MSOLQXFVSA-N 474.487 2.401 30 10 JEEE CC(C)N1C[C@H](c2nnc(SCC(=O)Nc3nccs3)n2N=Cc2ccccn2)CC1=O 2329020351 MLFHFVMXSBZBJY-CQSZACIVSA-N 470.584 2.467 30 10 JEEE CCOc1cc(C=Nn2c(COC)nnc2SCCCO)ccc1OCC(=O)N(CC)CC 2331596955 APFSMKLHXIWPIX-UHFFFAOYSA-N 479.603 2.427 30 10 JEEE CC[C@](C)(CNC(=O)OC(C)(C)C)N(C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2337204266 IXIAAUFGQCVVMA-JOCHJYFZSA-N 450.389 2.485 30 10 JEEE C[C@@H](C(=O)N1CC[C@@H](B2OC(C)(C)C(C)(C)O2)C1)N1CCN(C(=O)OC(C)(C)C)CC1=O 2342542676 CQUFJTSITHTIKM-JKSUJKDBSA-N 451.373 2.149 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H](CNC(=O)OC(C)(C)C)C[C@H]2C)n1C 2362335218 INNOPIGIXORWGV-GDBMZVCRSA-N 462.400 2.403 30 10 JEEE CN(C[C@@H]1CN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CC12CC2)C(=O)OC(C)(C)C 2366024132 RFUURMSMBYPGBW-OAHLLOKOSA-N 460.384 2.428 30 10 JEEE COCCCNC(=O)CN1CCN(/C(=N/c2ccc(C(=O)O)cc2)NCc2ccc(C)cc2)CC1 21047134 LAMJNVWVQXLSHZ-UHFFFAOYSA-N 481.597 2.241 30 10 JEEE O=C1[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 104144745 PNXSDOXXIOPXPY-VWDOSNQTSA-N 461.258 2.481 30 10 JEEE N#CCC(=O)NCc1ccc(NC(=O)CN2C(=O)c3ccc(Br)cc3C2=O)cc1 219656313 OIERIVPFBLQBQA-UHFFFAOYSA-N 455.268 2.214 30 10 JEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCCc3c(C)nn(C)c3C)nnc12 642217127 OOTGKPKSBGSILJ-UHFFFAOYSA-N 451.556 2.032 30 10 JEEE COC(=O)[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)c1ccccc1F 1127220393 DLURJPLTALWGMB-FQEVSTJZSA-N 459.499 2.129 30 10 JEEE Cc1nc(C#N)c(N2CCN(C(=O)CN(Cc3cccc(O)c3)[C@H]3CC[C@H](O)CC3)CC2)o1 1171296092 CWHLEBLOXFCXIF-MXVIHJGJSA-N 453.543 2.015 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1CCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)C1 1190729394 AGXLFPKYPVJSTN-NQIIRXRSSA-N 459.566 2.381 30 10 JEEE C=CCN([C@@H](C)COC)S(=O)(=O)c1ccc(I)c(C(=O)OC)c1 1192450776 WOXROPZBRBVWCB-NSHDSACASA-N 453.298 2.289 30 10 JEEE C=CCS(=O)(=O)CCNC(=O)N[C@@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1 1222532438 QSDSAYOAERUJLZ-IBGZPJMESA-N 454.545 2.219 30 10 JEEE C[C@H](CNC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)c1ccc(S(C)(=O)=O)cc1 1233850223 APZHORWJDNBHOK-QGPMSJSTSA-N 450.561 2.252 30 10 JEEE C#CCCCCn1c(-c2cnccn2)nnc1N1C[C@@H](C(=O)OC)[C@H](CNC(=O)OC(C)(C)C)C1 1286321426 OCHSIMPKINYPBB-QZTJIDSGSA-N 483.573 2.289 30 10 JEEE C#CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@H](OCCOC)C1 1286322904 FBYHAOHDIOPRJR-GOSISDBHSA-N 450.543 2.237 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1CCC1CCN(CC)CC1)[C@H]1CCS(=O)(=O)C1 1286386462 ABZVPYLDHGBKNU-NRFANRHFSA-N 456.616 2.089 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CCCOC1CCCC1)[C@@H]1CCS(=O)(=O)C1 1286391359 CRWZFPPGXYJKDI-HXUWFJFHSA-N 457.600 2.240 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CC1(N(C)C)Cc2ccccc2C1 1286398143 UQRAELGMSZXGLE-UHFFFAOYSA-N 453.550 2.097 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H](C)N2CCc3ccccc3C2)CC1 1286470139 TYVSWHJQOWYMKA-NRFANRHFSA-N 477.657 2.399 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(F)cn2)CC1 1286546016 FJNHHGZIOWZJME-XLIONFOSSA-N 457.554 2.258 30 10 JEEE C=C(Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1)c1ccccc1 1286616732 BXDZWQIXHRQOJD-VWPQPMDRSA-N 473.643 2.439 30 10 JEEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1286683293 NWRHHCMSXQVVHZ-FQEVSTJZSA-N 480.617 2.415 30 10 JEEE C=CCCCCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1286690028 BHDSATBIUWUOHL-GOSISDBHSA-N 462.595 2.487 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)c1ccc(F)cc1 1286727692 XPIPTZDIDYFMJR-SFHVURJKSA-N 451.568 2.350 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2cccc(C(=O)NC)c2)C1 1286813798 CFCNVYCAWONLSH-HBMCJLEFSA-N 455.559 2.191 30 10 JEEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@](C)(C#N)C1 1286822232 BBUSBHHDSSYGCO-HXUWFJFHSA-N 462.601 2.000 30 10 JEEE CC(C)c1nnc([C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CC(=O)NCC(F)F)CCO2)o1 1287172325 HXIRGSIHSUOVSJ-INIZCTEOSA-N 486.483 2.282 30 10 JEEE CC(C)CN1CCC[C@H](Cn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@@H](C#N)C2)C1 1287739829 BHSZAOKFKKXJGJ-OALUTQOASA-N 471.631 2.366 30 10 JEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(C2CC2)nn1[C@@H]1CCS(=O)(=O)C1 1293827324 WWRMEMDKHXOCAB-CVEARBPZSA-N 450.561 2.365 30 10 JEEE CN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 1297997885 DNVCGSLZXKEAMD-QGZVFWFLSA-N 453.547 2.256 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H](N1CCOCC1)C(F)(F)F 1300320749 JLLDBUUDKRNTOF-APWZRJJASA-N 462.476 2.450 30 10 JEEE C#CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@@H](OCCOC)C1 1300403611 NYGLIIGRXSVPMM-GOSISDBHSA-N 450.543 2.330 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCCCC1(F)F)[C@@H]1CCS(=O)(=O)C1 1300480026 WZZKQXLJEMVDBH-DLBZAZTESA-N 492.552 2.378 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1Cc1oc(CC)nc1C)[C@H]1CCS(=O)(=O)C1 1300483828 OCDJBFLUJRFRQV-IBGZPJMESA-N 464.551 2.351 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CC1(CC)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1300496995 WWBBZRUAMOSLCP-RBUKOAKNSA-N 450.605 2.006 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@@H]1CSCCS1)[C@H]1CCS(=O)(=O)C1 1300503891 HAUUVOPUFFGSLL-DLBZAZTESA-N 496.655 2.472 30 10 JEEE C#CCSCCn1c(N2C[C@H](CC)[C@@H](N3CCOCC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1300776952 PKJSHVGYQDVDTG-HFMPRLQTSA-N 477.675 2.232 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 1300988263 AHPOPIKDLBUCLF-DNVCBOLYSA-N 480.553 2.303 30 10 JEEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C(C)(C)C)C1 1300991407 SLJYTJYJHFRQSW-ROUUACIJSA-N 455.625 2.076 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1301137762 XMLNWJXJOBQBES-MSOLQXFVSA-N 481.667 2.073 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccoc1 1301339988 VBXYDZAYALMGJP-NRFANRHFSA-N 482.566 2.317 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C(=O)NC)CC1 1301569134 QIZPWBIKKMPLHE-LJQANCHMSA-N 490.630 2.097 30 10 JEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCCC[C@H](SCC)C1 1301585442 AYZYILTXJHMNNC-KRWDZBQOSA-N 455.650 2.113 30 10 JEEE COCC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)c2cccs2)CC1 1315753738 BFZJSVKBWWDFFX-UHFFFAOYSA-N 493.593 2.040 30 10 JEEE N#CCC1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCn2cncn2)CC1 1316537378 BMYKOJWEECMXAT-UHFFFAOYSA-N 453.938 2.283 30 10 JEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1358922561 JLEMBLSPDWZGCE-IBGZPJMESA-N 481.626 2.411 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H]1CC(=O)N(CCOC)C1 1358984157 KXOFZKVACPCTAG-NRFANRHFSA-N 476.581 2.105 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2ccc(Cl)cc2)CC1 1359044543 IPPRIIPIVZYYMW-LJQANCHMSA-N 454.962 2.091 30 10 JEEE C#CCSCCn1c(COc2ccccc2F)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1359061049 PJJNVDDTLPQRSR-OAQYLSRUSA-N 464.588 2.378 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1359103755 SCLVLCCTTFXGCJ-BSIFCXSSSA-N 475.977 2.443 30 10 JEEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1359301758 KHRIXKFJQVOLIM-MWTRTKDXSA-N 461.513 2.224 30 10 JEEE C=CCNC(=O)Cn1c(N2CCc3ccc(Cl)nc3C2)nnc1[C@@]1(OC(C)C)CCOC1 1359306055 USSLTRDHKSVBRZ-JOCHJYFZSA-N 460.966 2.232 30 10 JEEE C=CCNC(=O)Cn1c(N2CCN(Cc3ccccc3C)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1359306168 YAOLNRCMBLDDBS-AREMUKBSSA-N 482.629 2.252 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@](O)(c2ccccc2)C(F)(F)F)C1 1359320489 RASFBKATQUYGIY-WWMYMODYSA-N 465.476 2.461 30 10 JEEE CC(C)(C)NC(=O)CCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1359552012 ARUSACXALUPGAX-HXUWFJFHSA-N 479.585 2.155 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCNC(=O)C(C)C 1507539353 VDXLTSPWTYKEFP-QZTJIDSGSA-N 462.595 2.207 30 10 JEEE C#CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@H](OCCOC)C1 1507578977 HTFVJMOXIOLGJZ-SFHVURJKSA-N 460.604 2.202 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1c(CC)nn(C)c1CC)[C@H]1CCS(=O)(=O)C1 1507630835 INMKTUNXBBJSPS-SFHVURJKSA-N 481.626 2.182 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3CC)n2C[C@@H](C)N(C)C)CC1 1507741206 XMVSYTKBBULEND-LJQANCHMSA-N 452.603 2.335 30 10 JEEE C#CCSCCn1c(-c2ccccc2F)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1507748846 SAUSNXHKCGUJNE-QGZVFWFLSA-N 463.604 2.455 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc(F)c2F)CC1 1507752232 WYNGJGYIIYCHQY-INIZCTEOSA-N 481.594 2.151 30 10 JEEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCN(c2nccnc2C)CC1 1507755968 RSWXERVBXBRCAG-UHFFFAOYSA-N 454.629 2.425 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc2c(c1)OCO2 1507804474 KBAFZHXCKCCIJC-MDYRTPRTSA-N 477.587 2.235 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCC(C(=O)N(C)CCCC)CC1 1508087133 NQEMXSOQLFLCLJ-UHFFFAOYSA-N 453.591 2.426 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccc(F)cc3)n2CCS(=O)(=O)N2CCSCC2)C1 1508125763 IRJPNTFZQNYMQN-HXUWFJFHSA-N 495.646 2.168 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](Cc2ccc(F)cc2)C1 1508139501 BEQSIZZWAALEBX-PKOBYXMFSA-N 461.563 2.038 30 10 JEEE C[C@H]1C[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCCN(S(C)(=O)=O)CC2)CCO1 1512012375 AVRJRDWNEXBQSS-HKUYNNGSSA-N 458.588 2.104 30 10 JEEE CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CCc2cccs2)CC1 1517598674 BXWZXUUEJQAQDA-UHFFFAOYSA-N 479.610 2.291 30 10 JEEE C#CCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1539082046 LJICLDLKTIPRPP-UHFFFAOYSA-N 484.564 2.353 30 10 JEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@](C)(O)c1ccsc1 1539154058 FQBVAIVESIDOBY-NRFANRHFSA-N 459.597 2.234 30 10 JEEE C#CCN(c1nnc(C(C)C)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1539203815 VKPVYKQVFVLISI-ZWKOTPCHSA-N 465.620 2.428 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1ccc(OC)cc1OC)[C@H]1CCS(=O)(=O)C1 1539211884 PWBWCEKHIKIRJE-SFHVURJKSA-N 467.551 2.032 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1Cc1nccn1C(F)F)[C@@H]1CCS(=O)(=O)C1 1539212460 OZXBDCFIPVNFSB-MRXNPFEDSA-N 476.509 2.220 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1CC(F)(F)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1539220808 LXBXHTNOFPSWMM-FUHWJXTLSA-N 450.511 2.201 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@](O)(c1ccccc1)C(F)(F)F 1539323605 HTBPQUCTBHPYRR-DYESRHJHSA-N 480.512 2.093 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCNC(=O)OC(C)(C)C)CC1 1539434908 XPNOOPIXNBYTMA-UHFFFAOYSA-N 478.395 2.316 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(C)(C)c2cccc(F)c2)CC1 1539447306 QETXFXFDUMIMIS-GOSISDBHSA-N 459.591 2.052 30 10 JEEE C#CCSCCn1c(N2CC[C@](C)(C(N)=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1539531307 VWLJZNBLVQGFOQ-DMPWYTOCSA-N 462.620 2.117 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1539631656 MQBDYMHRPKMPBB-HCXYKTFWSA-N 452.621 2.413 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](CN2CCC(C)CC2)C1 1539704839 JQENCEYHLOWKRY-NHCUHLMSSA-N 480.679 2.135 30 10 JEEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(c2nc(CC)ns2)CC1 1540005342 KMXJIHDZSBUEFT-INIZCTEOSA-N 465.649 2.277 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCN2CCN(C(C)=O)CC2)C1 1540895025 JVHCZIWLNCIGHO-QHCPKHFHSA-N 482.629 2.419 30 10 JEEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccc(F)c2F)CC1 1540910143 YZJXYYLJFFEBNT-HNNXBMFYSA-N 486.614 2.412 30 10 JEEE COCCN1C[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H](COC)C2)CC1=O 1555573341 AREYWFUQLLOWRX-WOJBJXKFSA-N 452.559 2.174 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@H]1NC(=O)CC1(C)C 1587620414 DLCDDVOAGWIHJL-APWZRJJASA-N 461.570 2.438 30 10 JEEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1587861894 RCXBXWBMFKHXTF-MSOLQXFVSA-N 481.619 2.013 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1CC1(SC)CCN(C)CC1)[C@@H]1CCS(=O)(=O)C1 1588064668 MRKNXELHZHVBPF-LJQANCHMSA-N 493.724 2.385 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCc2ncc(CC)s2)CC1 1588865315 SUIKGJHTOIIMRM-UHFFFAOYSA-N 469.640 2.286 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2Cc2ccc(NC(C)=O)nc2)CC1 1588872228 ZWJIFIZQPWVEOU-UHFFFAOYSA-N 463.517 2.153 30 10 JEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 1588975205 FIXGCHVBGBJCDS-UHFFFAOYSA-N 457.560 2.018 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1588976341 UXDWMXZSJMNONK-QGZVFWFLSA-N 455.588 2.034 30 10 JEEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1589109974 MDIIZQPUOIGZJK-UHFFFAOYSA-N 477.594 2.239 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1589731208 CNYARGDGJWRNBU-UHFFFAOYSA-N 489.646 2.355 30 10 JEEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1593636587 OCBHCQNXKYYADW-YESZJQIVSA-N 453.609 2.496 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC(F)(F)F)CC1 1593637009 VQQVRJHBRGDZLB-HNNXBMFYSA-N 451.515 2.356 30 10 JEEE C=C(C)COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1593712298 YFIQIBPTJQSQJW-FQEVSTJZSA-N 470.530 2.274 30 10 JEEE C=CCN(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1C[C@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1594829061 BEBXPUHIQKGFTF-OKZBNKHCSA-N 460.579 2.161 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCS[C@H](C)C1 1595650259 ZLZBZOOUKXMXKB-HZPDHXFCSA-N 451.618 2.443 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCN(C(=O)Cc2ccccc2C)CC1 1595805750 TUTBERCUGHUFJI-UHFFFAOYSA-N 473.643 2.277 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc(CNC(=O)c2cccs2)n1CCN1CCN(C)C(C)(C)C1 1611319001 AQKHATKGUUUZDH-KRWDZBQOSA-N 458.636 2.034 30 10 JEEE C[C@@H]1CCCCN1CCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](C#N)C1 1612771968 CHETWAIYOIIAMN-QZTJIDSGSA-N 457.604 2.263 30 10 JEEE COCC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C(C)C)N2CCCC2)CC1 1619551776 HDTNVMPVEPNJGV-HSZRJFAPSA-N 495.628 2.144 30 10 JEEE CC(C)(C)O[C@@H]1C[C@H](NC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)[C@H]1n1cccn1 1634918111 AMKGNBPADKCTBD-PLACYPQZSA-N 450.543 2.352 30 10 JEEE C=CCN1CCC(NS(=O)(=O)c2cc(Cl)c(OCC(=O)N(C)C)c(Cl)c2)CC1 1660072259 NSHGMTCSUNOFDQ-UHFFFAOYSA-N 450.388 2.389 30 10 JEEE C#CC1(O)CCN(C(=O)N[C@@H](CNS(=O)(=O)c2ccc(C)cc2C)c2ccccc2)CC1 1679643643 LKOORRIEJDDJLB-NRFANRHFSA-N 455.580 2.493 30 10 JEEE C#C[C@@H](NC(=O)N1CCCC[C@H]1CNC(=O)CCNC(=O)OC(C)(C)C)C1CCOCC1 1684188838 YDLVTRYFFJQFRC-RBUKOAKNSA-N 450.580 2.010 30 10 JEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1nc(O)c2sccc2n1 1689892511 HJIJGMONMOZKQB-CQSZACIVSA-N 460.585 2.330 30 10 JEEE C#CCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC1(N2CCOCC2)CC(OCC)C1 1689944499 TWSPDBXNEUFWIB-UHFFFAOYSA-N 480.613 2.487 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CCC(F)(F)C1)[C@@H]1CCS(=O)(=O)C1 1689982859 VXLBMLSYONRRCR-UEXGIBASSA-N 486.585 2.381 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@@H]1OCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1689985949 FULCRTGUFIMZQI-PXNSSMCTSA-N 458.584 2.396 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1CCC(=O)NCc1ccccc1 1690022814 SXYXXERBOWAVTL-UHFFFAOYSA-N 451.534 2.296 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC[C@@H]1CCOC1 1690103310 BYEFBEGOMNQIJG-RTBURBONSA-N 463.579 2.099 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCc2nnc(C)s2)CC1 1690140254 RZKZAPKYLKBEKF-UHFFFAOYSA-N 470.990 2.362 30 10 JEEE C=C(Br)Cn1c(-c2noc3c2COCC3)nnc1N(C)CCNC(=O)C(C)C 1690227162 YEPATUJKMDBGDT-UHFFFAOYSA-N 453.341 2.123 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(C)cc2)nnc1N(C)CC(=O)N1CCOCC1 1690252139 AGSRAKOCGGRDBF-RDPSFJRHSA-N 469.586 2.442 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccc(OC)cc2)nnc1N1CCN(C(=O)COC)CC1 1690253465 QVUOSJVARFZZEZ-NTKDMRAZSA-N 485.585 2.142 30 10 JEEE C=C(C)COCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1690316212 AGOGFEDQOIJHNI-UHFFFAOYSA-N 493.612 2.116 30 10 JEEE C=CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCNS(=O)(=O)c2ccccc2)CC1 1690397038 UBLAZZLIHDOEJJ-UHFFFAOYSA-N 481.582 2.306 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1)C(C)C 1690581624 VOHMIFFICKTQMJ-YPAWHYETSA-N 471.650 2.427 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(C)COC1 1690621889 CFUVIFMSUYTUQN-QGZVFWFLSA-N 451.568 2.262 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1690715132 DPLRZPCQGCSZOF-RDJZCZTQSA-N 495.989 2.313 30 10 JEEE CC(C)(C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1691204284 HHMRCFLALMBMBW-IBGZPJMESA-N 464.574 2.162 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1CC(C)(C)CN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1705563678 CFEAGOQEXGIAGE-LJQANCHMSA-N 456.616 2.089 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1Cc1ccc(C)n(C)c1=O 1705592120 QGYYAVINTDXGTD-UHFFFAOYSA-N 475.549 2.489 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@]1(OC)CCOC1 1705627769 OZBGVGNWWUEVEA-YADARESESA-N 477.606 2.284 30 10 JEEE C#CCN(CCOC)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCN(C(C)=O)C1 1705629924 ADHVLTWXJUVVEO-OAQYLSRUSA-N 450.543 2.073 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H](C)N2CCC(C)CC2)CC1 1705644892 FLWGHTWSOAWPGD-HFZDXXHNSA-N 486.661 2.016 30 10 JEEE C=C(Br)Cn1c(-c2noc3c2COCC3)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1705685224 RQZWEPXGVVFKEE-NEPJUHHUSA-N 474.381 2.172 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(N(C)C)CCCCC1 1705717355 IKZPOGAAKXOMHH-IBGZPJMESA-N 468.668 2.278 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCCO2)n1CC1(O)CCS(=O)(=O)CC1 1705878301 MLJLCQPUOSDDMM-HXUWFJFHSA-N 460.600 2.304 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@H](NC(=O)CC)C1 1705906734 NKCVWRCTKFQTPG-IBGZPJMESA-N 454.575 2.271 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 1705931845 CHZSAPDWUOZNOB-QGZVFWFLSA-N 493.634 2.021 30 10 JEEE CC(C)(C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCOC2(CCOCC2)C1 1706092133 BPBDWRMDBHGVQM-UHFFFAOYSA-N 452.559 2.365 30 10 JEEE CN(C)C(=O)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1710979125 FKCMDKNCVBIXMV-QGZVFWFLSA-N 466.464 2.365 30 10 JEEE CN(C)CCN1CCC(Cn2c(C(=O)N3CCCC3)nnc2N(C)Cc2ccc(C#N)cc2)CC1 1711012796 HVYCPSDGKPFGNL-UHFFFAOYSA-N 478.645 2.296 30 10 JEEE COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1C[C@@H](C)C[C@H](C)C1 1712453927 DGYRUVJZRVIHCR-SLFFLAALSA-N 480.679 2.303 30 10 JEEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1722303269 OCHUPSMKOSLBKQ-BBRMVZONSA-N 475.347 2.066 30 10 JEEE C#CCN(C)c1nnc(-c2ccc(Br)s2)n1C[C@@H]1CC(=O)N(CCOC)C1 1722346100 MPJCIUJFVDCNGI-CYBMUJFWSA-N 452.378 2.333 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CCOC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1722369700 DUEPDMHCWRMQNZ-FDKIHUSFSA-N 478.659 2.496 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCNC(=O)c1cccs1 1722391781 UPOIBVPQIZTAGH-HSZRJFAPSA-N 455.584 2.273 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)N2CCCC2)CC1 1722493350 HHKDKOFKFASRNB-WOJBJXKFSA-N 458.607 2.236 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2cccn(CC)c2=O)C1 1722710886 PQFYSJLFQVXJNS-YKSBVNFPSA-N 457.575 2.330 30 10 JEEE Cc1cccc([C@H](C)Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@@H](C)C#N)c1 1724169145 DXAVPOOBWHXQKW-NLWGTHIKSA-N 460.604 2.319 30 10 JEEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1740576967 NQLMFEQJNTZMEO-UHFFFAOYSA-N 451.531 2.439 30 10 JEEE C#CCN(c1nnc(-c2ccccc2)n1CCCN1CCCCCC1=O)[C@H]1CCS(=O)(=O)C1 1740621157 UFJQIHVGRKODLR-NRFANRHFSA-N 469.611 2.365 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H](c1cccs1)N(C)C)[C@H]1CCS(=O)(=O)C1 1740621920 QFUKOMUHGQFCAA-FUHWJXTLSA-N 458.613 2.264 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCc1nccs1)[C@H]1CCS(=O)(=O)C1 1740627104 YCHZSAGWCVPRSC-SFHVURJKSA-N 459.572 2.334 30 10 JEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CCCn1cc(Br)cn1 1740684428 QYBPQKSSPPBEHE-UHFFFAOYSA-N 490.362 2.141 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccnc3)n2CC(F)(F)CNC(=O)OC(C)(C)C)CC1 1740695161 HBFCCIQOWZMVIB-UHFFFAOYSA-N 461.517 2.255 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@]2(O)CCCC2(C)C)CC1 1740708395 OAPKLRPRJOHSRS-RUZDIDTESA-N 498.653 2.177 30 10 JEEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1740712109 XEQRBZYBGOFBPH-GOSISDBHSA-N 491.639 2.430 30 10 JEEE C=C(Br)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@@H](CC(N)=O)C1 1740743586 AAWKRWLAZZRWOF-INIZCTEOSA-N 489.422 2.453 30 10 JEEE C=C(C)Cn1c(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)nnc1[C@@]1(OCC)CCOC1 1740786207 UPHIXLQQRWPIHD-HSZRJFAPSA-N 475.615 2.158 30 10 JEEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1740787719 IFZYAGVWVMDSEJ-GOSISDBHSA-N 493.406 2.456 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2ccc(F)cc2)C1 1740794975 LSMXJTQKAKSUIO-ICSRJNTNSA-N 464.563 2.490 30 10 JEEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1740843315 DWJWBZIMCUVZFB-VQTJNVASSA-N 481.711 2.095 30 10 JEEE C=CCCOCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1740888382 MIZZXBBSFQIVCH-HTAPYJJXSA-N 461.588 2.247 30 10 JEEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@H](CN(CC)CC)C1 1740958459 BBAJGGUWIYAJSV-QGZVFWFLSA-N 464.574 2.064 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@@H]1C(C)C 1740988628 KTIUNRHNVQRJEK-LJQANCHMSA-N 456.576 2.146 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCCO[C@H](C)C1 1740990423 UNEZTTYSCYHKEU-GOSISDBHSA-N 456.572 2.347 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1740990471 ATQSIQDGFQOFEM-GOSISDBHSA-N 481.022 2.496 30 10 JEEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(CC(C)(C)C)n1CC1([S@](C)=O)CC1 1743231460 DHYSWBCFFJTOTM-KNTRGWTASA-N 456.620 2.155 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN(CCC)C(=O)OC(C)(C)C 1748672022 PJDZYANQFCQNCQ-SJORKVTESA-N 453.609 2.285 30 10 JEEE C#CCCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1748699652 QHUUXSVWURVLGN-SFHVURJKSA-N 497.991 2.210 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CC1(C(=O)N(C)C)CCCC1)[C@H]1CCS(=O)(=O)C1 1748808815 ODQRGDQHBWKLCI-FQEVSTJZSA-N 499.637 2.229 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CC1(O)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1748824022 HLDBOGALAWEGIV-HXUWFJFHSA-N 472.611 2.487 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1CCN(Cc2cccs2)CC1 1748845849 BHUHUCWTVGMWDC-HXUWFJFHSA-N 471.652 2.227 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1Cc1cccc(CS(C)(=O)=O)c1 1748852599 IDKAAHCZRWJBDI-UHFFFAOYSA-N 472.574 2.182 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)[C@H](C)[C@@H](C)O2 1748864541 YVWSLTQSMYZUSZ-FGTMMUONSA-N 455.584 2.284 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2Cc2conc2COC)CC1 1748999982 JCBBOZRMIHUUQD-FQEVSTJZSA-N 485.589 2.288 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CCCn2cc(Br)cn2)CC1 1749016007 WFWFTYBUXBKLTJ-UHFFFAOYSA-N 474.407 2.246 30 10 JEEE C=C(Br)Cn1c(-c2cc(Br)cn2C)nnc1N1CCN2C(=O)NC[C@H]2C1 1749086408 KMCLOBUPRUJCAZ-LBPRGKRZSA-N 485.184 2.169 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCC(=O)N1CCOCC1 1749148211 ZQJJWYTYRHWZSA-UHFFFAOYSA-N 489.646 2.198 30 10 JEEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(NC(=O)C(C)C)CC1 1749210026 AYVRFMAOJKTHRO-UHFFFAOYSA-N 455.563 2.259 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCN(CC)C1 1749538433 VZFDHGDPTDTIRT-FCHUYYIVSA-N 488.658 2.145 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCN2C(=O)OC[C@H]2C1)C(C)C 1749557932 OKVKXQCSQBLCAE-WOJBJXKFSA-N 454.579 2.018 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](c2nc(C(C)C)cs2)C1 1749670219 OVNHLWULANARHV-HOTGVXAUSA-N 457.604 2.495 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(C(=O)CCC2CCCC2)CC1 1749676041 BOINYAFZEFSDLU-UHFFFAOYSA-N 465.602 2.185 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1C[C@H](F)CN1Cc1cccs1 1760116663 IVLNITLNVFQPGQ-OWSLCNJRSA-N 465.620 2.312 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1Cc1snnc1C)[C@@H]1CCS(=O)(=O)C1 1760180455 FSKQCJIBFRNJGX-NVXWUHKLSA-N 490.586 2.392 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)Oc1ccc(Cl)cc1 1760249737 RNPKUZDXQSZTIU-IRXDYDNUSA-N 466.991 2.387 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCc2ccc(C)c(OC)c2)CC1 1760265507 CRXHDUOYHVAVGS-MHZLTWQESA-N 495.624 2.456 30 10 JEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1760427957 MDGSCJKWXZWBOK-MSOLQXFVSA-N 479.607 2.043 30 10 JEEE C=CCN(CC=C)c1nnc(-c2noc3c2COCC3)n1CCc1ccc(S(N)(=O)=O)cc1 1760494222 KALXENDPPOUGFM-UHFFFAOYSA-N 470.555 2.074 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1760518046 GXICPQUCBRPRNB-UHFFFAOYSA-N 472.981 2.024 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC2(C(N)=O)CCOCC2)C1 1760547902 UHMJETZNYLUWFX-GUDVDZBRSA-N 461.607 2.260 30 10 JEEE C=CCSCCn1c(Cc2cccnc2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1760566857 HOBASKOGTLMYFM-UHFFFAOYSA-N 464.599 2.004 30 10 JEEE CC(=O)NC1CCC(N(C)c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1760633500 HCLURTWQLMYDLX-VPZDBLGMSA-N 452.559 2.240 30 10 JEEE CCC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1765462205 CSZUKZDDJLFSEU-OFVILXPXSA-N 482.585 2.107 30 10 JEEE CCN(c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(N(C)C)nc1)[C@H]1CCS(=O)(=O)C1 1766441424 DEZJQLFATRMUMO-FQEVSTJZSA-N 465.583 2.339 30 10 JEEE CS(=O)(=O)N1CC[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCCCCC2)C1 1771359635 HPOYMXACZUSYKH-LJQANCHMSA-N 458.588 2.391 30 10 JEEE 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@]4(C)[C@H]3CC[C@@]21C 1848438859 OIUSIMZHVMRLJU-ICENQRNYSA-N 478.582 2.186 30 10 JEEE N#Cc1ccccc1S(=O)(=O)N1CC[C@@H](NS(=O)(=O)c2ccc(Br)s2)C1 1858336644 VFGIRKKYEOTCPB-GFCCVEGCSA-N 476.399 2.124 30 10 JEEE COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCNC=O)cc1 1862606842 BAOHBLGRJKQBAP-NRFANRHFSA-N 452.463 2.181 30 10 JEEE N#Cc1ccccc1NC1=C(c2ccccc2[N+](=O)[O-])C(=O)N(CCCN2CCOCC2)C1=O 1863245952 NPRQZPKDUXZLFI-UHFFFAOYSA-N 461.478 2.381 30 10 JEEE CC(=O)Nc1ccc(-n2nnc(C#N)c2NC(=O)[C@H](C(C)C)N2C(=O)c3ccccc3C2=O)cc1 1870143231 DGNFDYVQAPXKPJ-FQEVSTJZSA-N 471.477 2.357 30 10 JEEE CCCCOc1ccc(-n2nnc(C#N)c2NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 1870155590 VDEBQHWQVOSCSC-UHFFFAOYSA-N 489.448 2.461 30 10 JEEE C=CCN(CC=C)c1nc(=NCCCN2CCOCC2)nc(Nc2ccc(NC(C)=O)cc2)[nH]1 1871480782 BXFHYQIJBYGQNZ-UHFFFAOYSA-N 466.590 2.308 30 10 JEEE C=CCn1c(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc2c(N3CCOCC3)ncnc21 1873561495 NJOMDNLQXPYAQG-UHFFFAOYSA-N 477.525 2.325 30 10 JEEE C=CCn1c(C(=O)NCc2ccccc2Cl)cc2c(N3CCN(CCO)CC3)ncnc21 1873592010 YTZLPOJQZZFHLX-UHFFFAOYSA-N 454.962 2.315 30 10 JEEE CCCOC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1ccc(O)c(O)c1 1874338891 APGXQVRLWCOWMW-GTQIFZCBSA-N 461.544 2.341 30 10 JEEE CCOc1ccc(/C=N/n2c(CNC(C)=O)nnc2SCC(=O)NCc2ccco2)cc1 1874433136 GFNJRKLVBFBJDO-BHGWPJFGSA-N 456.528 2.197 30 10 JEEE CC(C)(C)OC(=O)N1CC(O)([C@H](F)C(=O)N2CC[C@@H]3C[C@@]3(B3OC(C)(C)C(C)(C)O3)C2)C1 1879729897 HGYFEGGZZZALKK-VTJXTGGHSA-N 454.348 2.391 30 10 JEEE CC(C)N1C(=O)CS[C@H](C(=O)Nc2cnc(N3CCN(C)CC3)nc2)[C@@H]1c1ccc(C#N)cc1 1889421878 ZJSFUFDJNRKOII-VXKWHMMOSA-N 479.610 2.132 30 10 JEEE CC(C)N1C(=O)CS[C@H](C(=O)N2CCC[C@H](NC(=O)C3CC3)C2)[C@@H]1c1ccc(C#N)cc1 1890239886 XLXJNITZTPTYOW-BVSLBCMMSA-N 454.596 2.469 30 10 JEEE CCN1CCN(CC#CCOC2CCN(C(=O)c3cc(-c4cc(OC)ccc4OC)[nH]n3)CC2)CC1 1890752222 INVDJQWJUBOHOC-UHFFFAOYSA-N 495.624 2.356 30 10 JEEE C#CCN(C(=O)c1cnn(C)c1I)C1CCN(C(=O)OC(C)(C)C)CC1 1965073505 NKVOLFZGMUQVBD-UHFFFAOYSA-N 472.327 2.500 30 10 JEEE CC[C@H](C#N)S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)CC1 2215056682 QEIUSIAJFGSKAE-MRXNPFEDSA-N 460.597 2.408 30 10 JEEE CC(C)(C)OC(=O)NCCCONS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2247880180 CENOUCVLAPIMRT-UHFFFAOYSA-N 462.399 2.172 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCOC[C@@H]1NC(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2255538507 LRSQMCNAXJISQT-HOTGVXAUSA-N 452.382 2.459 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](O)CN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2255659002 LTNRURWMSYRZKN-HUUCEWRRSA-N 452.382 2.147 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1CCN1S(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2255753126 PHAFIESKWNMROL-INIZCTEOSA-N 452.382 2.274 30 10 JEEE C[C@H](c1cscc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)[C@H](CO)NC(=O)OC(C)(C)C 2256614192 LMCXUVBVFKDAKG-CJNGLKHVSA-N 454.398 2.452 30 10 JEEE CCc1nn(C)c(C(=O)NCC[C@H](C)NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267135530 DJMUZAYXYZVZPB-AWEZNQCLSA-N 450.389 2.315 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)c1nc(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)n[nH]1 2267156602 MDWMZGHRUGLIJV-JTQLQIEISA-N 464.357 2.398 30 10 JEEE CC1(C)OB(c2cnsc2C(=O)NCC[C@@H]2CN(Cc3ccccc3)CCO2)OC1(C)C 2267173754 PCDZIEKFLKNCGJ-GOSISDBHSA-N 457.405 2.463 30 10 JEEE CC[C@@H](CN(CC)C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2267505301 GHSXBNNOEYSALB-HNNXBMFYSA-N 450.389 2.485 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1NC(=O)C[C@@H](O)CNC(=O)OC(C)(C)C 2268646495 UASYKOZZQDFOQH-OAHLLOKOSA-N 450.341 2.209 30 10 JEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2[C@H]3CC[C@@H](N2C(=O)OC(C)(C)C)C32CC2)n1 2281942244 GNTIVRGLDPDTIR-UONOGXRCSA-N 459.356 2.033 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC2(CC(NC(=O)OC(C)(C)C)C2)C1 2282004255 IKCFQCMFIBTBJJ-UHFFFAOYSA-N 460.384 2.157 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@]2(CCCN2C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2282187612 KZJHYMWUQJTOST-HSZRJFAPSA-N 458.368 2.391 30 10 JEEE C[C@H]1CN(Cc2ccccc2)[C@H](C)CN1S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282351181 XNPLIILJTICXKY-MSOLQXFVSA-N 474.436 2.003 30 10 JEEE CN([C@@H](CNC(=O)OC(C)(C)C)C1CC1)S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282423794 SYUTVCKITBZBKV-SFHVURJKSA-N 481.424 2.305 30 10 JEEE C[C@H]1CCN(Cc2ccccc2)CCN1S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282509228 IHQKWQURVJACCW-SFHVURJKSA-N 474.436 2.004 30 10 JEEE CCc1nc(C(=O)N2C[C@@H](NC(=O)OC(C)(C)C)[C@H](OC)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2282513965 XGSFAJVMBQNGIC-ZIAGYGMSSA-N 481.424 2.369 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)n1 2282552389 QAUMTBSZQTWGBE-VWLOTQADSA-N 451.376 2.056 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]32)n1 2282552693 MDVMDYMOYLJHEH-SFHLNBCPSA-N 450.392 2.360 30 10 JEEE Cc1ccnc(C(=O)NC[C@H]2COCCN2Cc2ccccc2)c1B1OC(C)(C)C(C)(C)O1 2282570952 OGENPTXIYXAONX-FQEVSTJZSA-N 451.376 2.320 30 10 JEEE Cn1cc(C(=O)NC[C@@H]2C[C@@H]3[C@H]2CCN3C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2282580912 ZYGGRGMREUZOBE-YQQAZPJKSA-N 460.384 2.095 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CSCCN(C(=O)OC(C)(C)C)C2)n1 2282589802 SGWHZHQFMYKCKB-OAHLLOKOSA-N 480.440 2.285 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@]2(C1)CN(C(=O)c1sncc1B1OC(C)(C)C(C)(C)O1)CCO2 2282621543 SYYRWSUMCRTFRW-JOCHJYFZSA-N 479.408 2.294 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@@]2(NC(=O)c3ncc(B4OC(C)(C)C(C)(C)O4)cn3)C[C@@H]2C1 2282629428 VSFIZEYJTUWSIZ-IQMFZBJNSA-N 458.368 2.295 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@]2(CCN2C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2283063349 QSCAPSJDBKFHME-CWSKOGRWSA-N 458.368 2.295 30 10 JEEE Cn1cc(C(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)c(CNC(=O)OC(C)(C)C)n1 2283973306 UQYMTKXQUDMQGQ-UHFFFAOYSA-N 457.340 2.391 30 10 JEEE Cc1nc(NC(=O)c2cnn(C)c2NC(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2283982479 YBOHLXHOYUINRX-UHFFFAOYSA-N 458.328 2.417 30 10 JEEE CC(C)(C)OC(=O)N1CC(O)([C@H](F)C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)c(F)c2)C1 2284054579 FSPQBFOJNLZSIG-MRXNPFEDSA-N 468.306 2.383 30 10 JEEE COC1CC(C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)(N(C)C(=O)OC(C)(C)C)C1 2284058287 KHUJNUVMKCVWIO-UHFFFAOYSA-N 481.424 2.473 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@@](Oc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)(C(N)=O)C1 2284390178 UOLOASZQISVHFQ-QFIPXVFZSA-N 465.331 2.154 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)NC[C@H]1CCCCN1C(=O)C(F)(F)F 2285209434 VZMFAHKZETVMQT-OAHLLOKOSA-N 455.286 2.362 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(CCNC(=O)OC(C)(C)C)C[C@H](C)O)n1 2285349326 DSNXEOCRYNVPDS-INIZCTEOSA-N 463.384 2.037 30 10 JEEE CCN(CC)C(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1N=Cc1ccc(O)cc1O 2328988619 OFTNYYLEPOTURU-MRXNPFEDSA-N 474.587 2.256 30 10 JEEE COc1ccc(C=Nn2c(CNC(C)=O)nnc2SCC(=O)Nc2nccs2)cc1OC 2330748004 JMTBGFRTWIVVJD-UHFFFAOYSA-N 475.556 2.001 30 10 JEEE CCN(C[C@H](C)NC(=O)OC(C)(C)C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nc(C)n1C 2337270484 LXKBNTVWWQYTPT-AWEZNQCLSA-N 450.389 2.403 30 10 JEEE COC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(OC)c(B2OC(C)(C)C(C)(C)O2)c1 2339736912 GTOSNSIZRMSIRL-INIZCTEOSA-N 450.341 2.473 30 10 JEEE CC(=O)Nc1cccc(NC(=O)CSc2nnc(N/N=C/c3ccc(N(C)C)cc3)n2N)c1 20527587 OHSLOIWOPIVNPU-FSJBWODESA-N 467.559 2.193 30 10 JEEE CCN(CC)c1ccc([C@H]2c3c(nc(N4CCC5(CC4)OCCO5)[nH]c3=O)NC(=O)[C@@H]2C#N)cc1 72444341 VUNZKXDDOLAMKD-RTBURBONSA-N 478.553 2.183 30 10 JEEE COC(=O)c1[nH]c(C)c(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccc(F)c2)c1C 103098447 BUBMPIQAIOWBLO-DQVIVYRFSA-N 485.512 2.311 30 10 JEEE C[C@H]([C@H]1C[C@]2(C)O[C@]2(C)[C@H](O)O1)[C@]1(O)CC[C@H]2[C@@H]3[C@@H]4O[C@@H]4[C@@]4(O)CC=CC(=O)[C@]4(C)[C@H]3CC[C@@]21C 138669718 GWWNCLHJCFNTJA-KXKUAPKTSA-N 488.621 2.498 30 10 JEEE CCOC(=O)[C@@H]1CCCN(c2nc(O)c3c(n2)NC(=O)[C@H](C#N)[C@H]3c2ccc(OC)c(OC)c2)C1 256033338 ORKPLUNDGVONID-IIDMSEBBSA-N 481.509 2.203 30 10 JEEE Cc1ccc([C@H](CNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)N2CCCC2)o1 510430793 UBAOKPZTLKBUTB-FQEVSTJZSA-N 471.583 2.313 30 10 JEEE CN1CCC(n2c(=C(C#N)C(=O)c3ccccc3F)sc(=Cc3cnn4ccccc34)c2=O)CC1 729669587 RDGSTQDINSDFSX-UHFFFAOYSA-N 487.560 2.349 30 10 JEEE COc1cc(C=NNc2nnc(SCC(=O)Nc3ccccc3F)n2N)cc(OC)c1OC 1084069269 YXZATVGZGXPWKF-UHFFFAOYSA-N 475.506 2.334 30 10 JEEE C=CCN1CC[C@@H](N(C)C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)C1=O 1128396604 OOLVVEADFFMUQW-JOCHJYFZSA-N 459.612 2.211 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC1(O)CCOCC1 1286291011 USRVHSQVRLSQNA-QGZVFWFLSA-N 450.543 2.064 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CCS(=O)(=O)c1ccccc1 1286301575 FYWMOCATHDBDBC-MRXNPFEDSA-N 457.581 2.201 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CCN1CCOC(C)(C)C1)[C@@H]1CCS(=O)(=O)C1 1286388533 QTDIZZNNOGCANV-HXUWFJFHSA-N 492.045 2.336 30 10 JEEE C#CCN(c1nnc(CC2CCCC2)n1C[C@@H]1CSCCS1)[C@@H]1CCS(=O)(=O)C1 1286390889 FRIDZYRWFWMTME-QZTJIDSGSA-N 454.687 2.486 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 1286398232 WNNFLMUASVMUMI-IBGZPJMESA-N 473.002 2.468 30 10 JEEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1286511458 LNTOMGGMKGOXOM-OAQYLSRUSA-N 463.567 2.407 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(=O)NCC(F)(F)F 1286573320 JASQCQHFHADOSJ-UHFFFAOYSA-N 463.464 2.273 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](c2ccco2)C1 1286790986 LUWJOWKVKFVFFG-QZTJIDSGSA-N 486.573 2.476 30 10 JEEE C=CCSCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCN(C(=O)NC)CC1 1286830389 LKJWAIXMNVXUBI-UHFFFAOYSA-N 496.641 2.446 30 10 JEEE C#CCN(C(=O)C1CC2(C1)C[C@H](NC(=O)OC(C)(C)C)CCS2)[C@@H]1CCS(=O)(=O)C1 1291928951 ONDFBHYOORDWEV-CXIVCQEWSA-N 456.630 2.204 30 10 JEEE CCn1cccc(Cn2c(CCN3CCN(c4ccccc4)CC3)nnc2N(C)C[C@H](C)C#N)c1=O 1295950106 AKQPTFVWZHCFRB-JOCHJYFZSA-N 488.640 2.469 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2C[C@](C)(O)CCOC)c1 1300332265 AXZQGPRGQVAONK-XMMPIXPASA-N 450.543 2.127 30 10 JEEE C#CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1300339961 SWJLRLCKSPATNL-UHFFFAOYSA-N 465.602 2.161 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CCc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1300499138 PWNUUDQMEQDRTQ-NRFANRHFSA-N 453.543 2.272 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@H]2CCC(F)(F)C2)CC1 1300689195 SDXJEVXTRSTFMR-GOSISDBHSA-N 492.596 2.386 30 10 JEEE C#CCSCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1300732645 BZXPLGFLBUGDEO-KRWDZBQOSA-N 481.619 2.395 30 10 JEEE C#CCSCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCNC(=O)[C@H]1CC 1300743352 NOVPJDCUIQTLQN-MRXNPFEDSA-N 459.572 2.052 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](O)(Cc2cccc(Cl)c2)C1 1300952323 QXTHURYRLHLJFH-KNQAVFIVSA-N 496.033 2.024 30 10 JEEE C=CCC(C)(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](CNC(C)=O)C1 1301143130 DTIPRCUHELPLDQ-LJQANCHMSA-N 475.615 2.292 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1)C(C)C 1301368280 ZWWAPSLQUFKRSE-HYBUGGRVSA-N 468.606 2.408 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CC=C(c2ccc(O)cc2)CC1 1301478109 IGAITYPVTFCLFL-UHFFFAOYSA-N 452.559 2.498 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1301481743 OPSOBCPLFXZYSF-WMQCIHAUSA-N 482.585 2.366 30 10 JEEE CC(C)NC(=O)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC[C@](C)(C#N)C1 1303452525 FCEMEEUVEKSOBE-AREMUKBSSA-N 478.645 2.297 30 10 JEEE CCC(CC)(Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C)OC 1305681843 DMGBGZIITNQRMU-GOSISDBHSA-N 481.605 2.096 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1cnn2ccccc12 1358876803 QLCLBXQYIXMYRJ-QGZVFWFLSA-N 463.567 2.349 30 10 JEEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CCCNC(=O)c1cccc(O)c1 1358896698 KCHRLEYHILNSOZ-INIZCTEOSA-N 466.567 2.253 30 10 JEEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(NC(N)=O)cc1 1358997159 HGDCGVDEASTWLF-UHFFFAOYSA-N 461.551 2.271 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCCCO2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1359098768 FROAOWBGTPKZSE-IHPCNDPISA-N 467.636 2.409 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(N(C)C)c(F)c1 1359113768 QDAMHSMCZAEAJI-HXUWFJFHSA-N 480.610 2.267 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CC2(N3CCOCC3)CCCCC2)C1 1359311542 CLSPOKVGMVBYLD-FQEVSTJZSA-N 460.623 2.233 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)C1CCC(NC(C)=O)CC1 1359329620 OXSYFFZJCAUXKH-UHFFFAOYSA-N 470.599 2.301 30 10 JEEE CC(=O)NC[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCC2(O)CCC2)C1 1359438632 FLSQEOYDMGSJHZ-FQEVSTJZSA-N 452.559 2.386 30 10 JEEE C#CCn1ccc(CN(CC)C(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1 1459760616 YQIWVRUJICTSIY-HXUWFJFHSA-N 459.528 2.016 30 10 JEEE C=C[C@@H]1OCC[C@H]1NC(=O)[C@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)[C@@H](C)CC 1460071195 AKPRRAJDWUYKNI-NUDXDXSLSA-N 472.007 2.195 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1507628135 VCMYLQVLGRWYLI-AEFFLSMTSA-N 494.017 2.177 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCOc1c(C)cccc1C)[C@@H]1CCS(=O)(=O)C1 1507633578 TUXFRTXFVDCHPB-WOJBJXKFSA-N 458.584 2.105 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCCOC2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1507669235 KBUJMSYMVGLPPD-QHCPKHFHSA-N 461.614 2.220 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 1507712406 GEUDBGULHQXFGF-MSOLQXFVSA-N 472.590 2.105 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC(=C)Cl)CC1 1507734638 RRFJJFWIJJGJBN-UHFFFAOYSA-N 461.975 2.067 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1507739631 DUFCCKIQFCXVEJ-OSPHWJPCSA-N 487.988 2.016 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OC)n2CCn2cc(Cl)cn2)CC1 1507740991 IPZRJTZPRLNVIM-UHFFFAOYSA-N 497.987 2.382 30 10 JEEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 1507750563 ZAOVSKDFLQAVQZ-WOJBJXKFSA-N 469.659 2.457 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCC(NS(C)(=O)=O)CC1 1507801371 UTBBVOZCNDDHIW-XLIONFOSSA-N 460.604 2.148 30 10 JEEE C=C(C)COCCn1c(-c2ccc[nH]2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1507842527 IVGLCHIFYTVNEV-SIKLNZKXSA-N 455.607 2.245 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c(-c2cnccn2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1)C(C)C 1508012064 BAUUEQISLSIJIF-KSEOMHKRSA-N 464.618 2.491 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N(C)Cc1ccccc1N1CCOCC1 1508086209 MPDYJYYIWRALRX-UHFFFAOYSA-N 461.570 2.039 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCNC(=O)[C@@H]1CC 1508092629 DIHNMNYHXNIOAC-HNNXBMFYSA-N 467.357 2.181 30 10 JEEE CN(C)C(=O)[C@@H]1CCCN1CCCn1c(-c2ccccn2)nnc1N1CCC(CC#N)CC1 1516945618 CSXDVTOJUSMQOZ-NRFANRHFSA-N 450.591 2.413 30 10 JEEE Cc1sc(=O)n(CC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)c1-c1ccc(F)cc1 1517927981 GNXFIWNCNCIRJX-AWEZNQCLSA-N 452.515 2.423 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2CCN2CCSCC2)c1 1539046090 MWFZGYZEUYBXIY-UHFFFAOYSA-N 475.622 2.369 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1ccc(OC(C)(C)C)nc1)[C@H]1CCS(=O)(=O)C1 1539223091 ZCZMZCAALGJBCA-UXHICEINSA-N 487.626 2.419 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3COc4ccccc4O3)n2C[C@](C)(O)CCC)CC1 1539482113 RFABCAWTSUHXCI-PXDATVDWSA-N 467.570 2.308 30 10 JEEE C=C(Br)Cn1c([C@H]2CCCCO2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1539597560 YXUUSABFSYURPA-CABCVRRESA-N 467.368 2.195 30 10 JEEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1539965961 CNDLXDKHNOUHAY-NHCUHLMSSA-N 464.680 2.141 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CCCN(CCC)C(=O)C1 1540864179 RVAABKKRFJCONT-UHFFFAOYSA-N 475.391 2.459 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1540864882 OGTRQPOZAFCSIV-OAHLLOKOSA-N 482.507 2.337 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 1540900800 ITDQJBXEYZYAJL-MRXNPFEDSA-N 464.592 2.368 30 10 JEEE C=CCS(=O)(=O)CCNC(=O)[C@@H]1Cc2cc(OC)c(OC)cc2N1C(=O)OC(C)(C)C 1546071693 LHQHOLXSNZPCSU-INIZCTEOSA-N 454.545 2.087 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H](N1CCOCC1)C(F)(F)F 1587602977 FJLQXBPBMKYRDM-BEFAXECRSA-N 465.476 2.437 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2cccc(C)c2C)n1Cc1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 1588030386 UEXWGPVQQYGFAM-FPOVZHCZSA-N 482.610 2.443 30 10 JEEE C#CCN(c1nnc(-c2ccc3ccccc3n2)n1CCOCC(F)F)[C@H]1CCS(=O)(=O)C1 1588045662 OEULTKSRMVLBRP-KRWDZBQOSA-N 475.521 2.402 30 10 JEEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1Cc1sccc1C)[C@@H]1CCS(=O)(=O)C1 1588069668 SCVSZQDZMTUIRP-MRXNPFEDSA-N 489.648 2.315 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1c[nH]c2c(C)cccc12 1588647683 XNQIDMFMRSBJPT-LJQANCHMSA-N 455.584 2.299 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc([C@@H](C)O)cc2)CC1 1588750911 GYVAXFHAQIHHTP-NLFFAJNJSA-N 453.587 2.176 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(Cl)c(OC)c1 1589216818 YCANNRMBDDJPDD-DENIHFKCSA-N 494.017 2.313 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1589545101 LJXXPIXOJHOBBH-MANSERQUSA-N 495.646 2.265 30 10 JEEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1Cc2ccccc2O[C@@H](C)C1 1593884535 IAIFLSQNJOXPMU-MAUKXSAKSA-N 467.979 2.151 30 10 JEEE C=CCCOCCn1c(-c2ccc(F)cc2Br)nnc1N1CCO[C@@H](C(=O)NC)C1 1594798829 XQJCRDKYQNJLJF-QGZVFWFLSA-N 482.354 2.391 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@@H](C(C)C)C1 1595766812 XXLSPUFZYBUMBI-MRXNPFEDSA-N 472.409 2.498 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1595812678 YPELKAQIBNIZCL-IBGZPJMESA-N 491.633 2.298 30 10 JEEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccnc(SC)c2)C1 1615972311 ANSZVECTUBBHST-LJQANCHMSA-N 483.623 2.500 30 10 JEEE CCOC1CC(O)(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C(=O)C(C)(C)C)CC2)C1 1616578345 HBDGJWWMSTYOJZ-UHFFFAOYSA-N 496.612 2.353 30 10 JEEE CN(Cc1ccc(C#N)cc1)c1nnc(C(=O)N2CCCC2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1617868461 BNOIQQDDNKFWRT-LJQANCHMSA-N 491.518 2.285 30 10 JEEE CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)Nc3ccc(CCC#N)cc3)ccc2F)CC1 1626261726 FKQDPCPGAWVMTL-UHFFFAOYSA-N 458.515 2.387 30 10 JEEE CN(CCOc1ccc(S(N)(=O)=O)cc1F)C(=O)c1ccc(Br)cc1C#N 1626313228 DTSSMPXILURCGH-UHFFFAOYSA-N 456.293 2.258 30 10 JEEE C#CCN(Cc1ccc(F)cc1)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 1631275185 QGRSNQGFIDOUKE-NRFANRHFSA-N 452.534 2.266 30 10 JEEE C=CC[C@]1(C(=O)N[C@H]2CCCN(CCN3CCOCC3)C2)CCCN1C(=O)OC(C)(C)C 1650978249 VBFOBBYHQAHFAF-GBXCKJPGSA-N 450.624 2.245 30 10 JEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2C[C@@H](NC(=O)OC(C)(C)C)[C@H](C(F)(F)F)C2)cc1 1652078445 FOVPFJUDUIIUBP-HZPDHXFCSA-N 475.489 2.126 30 10 JEEE N#Cc1cc(F)c(S(=O)(=O)NCCn2cc(Br)cn2)cc1Br 1663247406 IAERCAAWQLHSCD-UHFFFAOYSA-N 452.103 2.397 30 10 JEEE C#C[C@H](NS(=O)(=O)c1cccc(C(=O)NCCOC)c1)c1ccc(Br)cc1 1664133289 KLNLYUIXPHFEGE-SFHVURJKSA-N 451.342 2.478 30 10 JEEE CC[C@H](C#N)Oc1cc(CNC(=O)N2CCN(CC(=O)N3CCCCC3)CC2)ccc1OC 1679046726 HQLCUGXNBOLFHX-HXUWFJFHSA-N 457.575 2.216 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCCO3)n2C[C@H](C)N2CCOCC2)c1 1689872179 QNWGTCHTRIQUCY-SIKLNZKXSA-N 466.586 2.297 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H]1N(C)CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1689990066 LFMSAUUGUJEYSW-UFYCRDLUSA-N 463.648 2.267 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CCn1cc(Br)cn1 1690031803 XYWULPWPKZRZMZ-UHFFFAOYSA-N 467.331 2.048 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1690039984 ZZMQQHNGDSEZDH-HSZRJFAPSA-N 462.598 2.359 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(F)cc1Cl 1690077649 SZQNBBQYNQLHAD-GOSISDBHSA-N 469.970 2.106 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H]2CCCCN2CCC)CC1 1690146634 SMOFMDSUGNNSFD-FGZHOGPDSA-N 456.635 2.402 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1690212451 MAJQHOILPKLKTA-WMZHIEFXSA-N 457.600 2.439 30 10 JEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1cnn(C)c1 1690465212 VMDCVLFBADQTIO-OALUTQOASA-N 463.608 2.042 30 10 JEEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1C[C@@H](C)C[C@H]1CC 1690662334 ZNAYNANVCMCYBY-DOTOQJQBSA-N 459.620 2.474 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2Cc2ccn(C)n2)C1 1690684986 SVQJEBAETGHQRK-IBGZPJMESA-N 455.950 2.425 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCCO[C@H]1c1ccccc1)[C@H]1CCS(=O)(=O)C1 1705559349 YQFJFYMNRQVEAJ-FKBYEOEOSA-N 499.637 2.211 30 10 JEEE C#CCN(c1nnc(C2CCC2)n1C[C@H](c1cccc(OC)c1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1705566275 MDUBTOADTDXQGQ-IFMALSPDSA-N 471.627 2.484 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CC(C)(C)CN2CCCC2)CC1 1705642505 WEXJBTMLJWTHOK-UHFFFAOYSA-N 469.659 2.147 30 10 JEEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCN(c2nccnc2C)CC1 1705681594 YGCWAIJHXSARIR-INIZCTEOSA-N 466.384 2.336 30 10 JEEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1705693873 LOWVJZLVOPDTAL-BZSNNMDCSA-N 470.412 2.212 30 10 JEEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 1705930926 ZDEFUYSFHKIUDU-UHFFFAOYSA-N 452.968 2.091 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCN(C)C(=O)[C@@H]1C 1705933479 IPVARYXYYLMNLP-KRWDZBQOSA-N 491.614 2.009 30 10 JEEE CC(C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@](C)(O)c2ccsc2)CC1 1706648844 CQFZIDWGHRITEF-RUZDIDTESA-N 493.637 2.433 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@@]1(O)CCS(=O)(=O)C1 1722283538 VPTNMJSVZRJHGV-SGTLLEGYSA-N 487.807 2.369 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CCc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1722359897 XACJIIYLDPZAEK-HXUWFJFHSA-N 475.590 2.205 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1Cc1ccc(C)cc1OC)[C@@H]1CCS(=O)(=O)C1 1722359980 YKNVEJGUWJPMBC-HXUWFJFHSA-N 487.626 2.189 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1CCN(CC)CCC)[C@H]1CCS(=O)(=O)C1 1722360657 BOLQXHKUAUEDSO-IBGZPJMESA-N 473.599 2.032 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC[C@@H](C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1722360769 JMFXPOPBUAIVTN-WIYYLYMNSA-N 452.584 2.499 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1722433684 BACZDSKEWYXBSZ-QGZVFWFLSA-N 478.018 2.187 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CC[C@@](C)(CC)O2)CC1 1722441566 SMGKIJBRVFAWGF-UQBPGWFLSA-N 479.585 2.239 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccc(F)cc2F)CC1 1722443021 AABQDALPSLEFLB-DEOSSOPVSA-N 473.524 2.223 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2Cc2cccn(CC)c2=O)CC1 1722445616 TVGRQSMWLWAQRS-UHFFFAOYSA-N 474.565 2.149 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1722452860 LNRBIBLDWVFXOI-UHFFFAOYSA-N 484.655 2.295 30 10 JEEE C=C(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1722522984 QUZSYOCNBMFEBG-UHFFFAOYSA-N 485.614 2.111 30 10 JEEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1722682831 MBMWOCHQGVRQRP-HZPDHXFCSA-N 456.613 2.158 30 10 JEEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1722682832 MBMWOCHQGVRQRP-JKSUJKDBSA-N 456.613 2.158 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1CCN1CCCS1(=O)=O 1723770694 AWHDZICURPIQCV-AWEZNQCLSA-N 454.503 2.320 30 10 JEEE COC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1)OC 1730465825 AXCWPKDQNQLWFH-NFBKMPQASA-N 495.628 2.001 30 10 JEEE N#C[C@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CCS(=O)(=O)c2ccccc2)CCO1 1731185644 AXJYLTQMSLDXGF-HNNXBMFYSA-N 491.371 2.238 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CC1(NC(=O)OC(C)(C)C)COC1 1740556564 UQCUCPLDHBGFQB-QGZVFWFLSA-N 465.558 2.268 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cn4ccccc4n3)n2CC(C)(C)C(=O)NC)c1 1740564271 HMMQOQCYBPVRFT-UHFFFAOYSA-N 498.591 2.345 30 10 JEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC2(CCCCCC2)C1 1740574786 NIHWDMUUWUCKED-HXUWFJFHSA-N 479.647 2.344 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CCCC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1740619644 QBNDLPWKETWXDS-GCJKJVERSA-N 452.621 2.383 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCS(=O)(=O)CC=C 1740652502 BOABOJPJWRWCNH-UHFFFAOYSA-N 492.605 2.300 30 10 JEEE C#CCN(CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCS(=O)(=O)N1CCSCC1 1740662178 FRQXJKDOHJOICK-UHFFFAOYSA-N 485.639 2.173 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@](C)(O)C2CCCCC2)CC1 1740692900 RAVXFLVDSQKITC-JWQCQUIFSA-N 459.635 2.405 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H](C)CN(C)C(=O)OC(C)(C)C)CC1 1740694584 NUWZKJBKOOHEQG-PMACEKPBSA-N 460.623 2.430 30 10 JEEE C#CCN1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCC2(O)CCC2)CC1 1740696054 LCXYPUKBXKTKTI-UHFFFAOYSA-N 472.634 2.453 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2nc(C)c(C)s2)CC1 1740697518 HNOXBRXWFYQCML-UHFFFAOYSA-N 470.624 2.225 30 10 JEEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCN2CCOCC2(C)C)CC1 1740699917 YUIVDBXNSORFFA-UHFFFAOYSA-N 466.630 2.340 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C1CCCCC1)N(C)C 1740732297 YKZIYQCOOTUCLK-PQNGQFLHSA-N 492.690 2.114 30 10 JEEE C=C(C)COCCn1c(-c2ccccc2F)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1740790989 QDAOPAOBVHKWCV-UHFFFAOYSA-N 456.566 2.421 30 10 JEEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1cccn(CC)c1=O 1740892647 KPJMAVRXNJMTAX-UHFFFAOYSA-N 455.588 2.399 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(Cc2csc(C)n2)CC1 1740956800 QOEWTUWWMVEAGT-UHFFFAOYSA-N 473.006 2.383 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCN(c2ncccc2C#N)CC1 1740991145 PJANKDVUXRQCSD-UHFFFAOYSA-N 455.588 2.130 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(c2ncccc2F)CC1 1740992301 ORXIQIOGLBBSRS-UHFFFAOYSA-N 450.584 2.328 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CCN2CCCC[C@H]2C1 1740993470 BMZSDWQZYCUFJC-IBGZPJMESA-N 463.579 2.272 30 10 JEEE CCOc1cccc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3nccnc3C#N)C[C@@H]2C)c1 1746859829 HRQLJROPLOMIEY-SFHVURJKSA-N 489.584 2.240 30 10 JEEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(c2ncccn2)CC1 1748732234 WSDSKQRLVLZPLF-UHFFFAOYSA-N 464.961 2.392 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CC[S@](=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1748808475 CRSDNDALYGOOQY-OKXSDPAFSA-N 478.640 2.128 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCN(C)CCCC)[C@H]1CCS(=O)(=O)C1 1748809259 QXQFEUAILMPTGW-KRWDZBQOSA-N 497.463 2.394 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCN(CCC)C1)[C@@H]1CCS(=O)(=O)C1 1748810188 STZIJQKVGDXUDP-PKOBYXMFSA-N 477.034 2.352 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCn1nc(C)cc1C 1748831673 SWJVWSNPDHTFCP-UHFFFAOYSA-N 479.610 2.172 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1cccnc1OCC 1748842295 KBDHLVJFGAZHLS-UHFFFAOYSA-N 453.506 2.107 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cn(C)c4ccccc34)n2CCC(=O)NCCC)CC1 1749009984 YTGTUGUMRJXOLW-UHFFFAOYSA-N 475.597 2.319 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1749020158 NATGIOYKELXFBR-MRXNPFEDSA-N 452.544 2.367 30 10 JEEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1749040042 KMHWSJOONJIPCY-UHFFFAOYSA-N 450.616 2.076 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1749052206 ZPKPELQIJSTDDP-HOYKHHGWSA-N 451.575 2.077 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@](O)(c1ccccc1)C(F)(F)F 1749053845 MTKSLMDJDBVULB-CDHQVMDDSA-N 485.532 2.331 30 10 JEEE C=C(Br)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1749085111 YDBCNYRSDAYAIU-GOSISDBHSA-N 455.357 2.136 30 10 JEEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)Nc2cccc(C)c2C)CC1 1749189412 JYAXMECRTGZBTR-HXUWFJFHSA-N 451.575 2.183 30 10 JEEE C=CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CCCS(=O)(=O)C1 1749507288 XFEIOSQNMQVOMF-YESZJQIVSA-N 453.609 2.496 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N(C)Cc1ccc([S@@](C)=O)cc1 1749741308 XECWJBKHNVGALK-LDLUVENISA-N 452.602 2.104 30 10 JEEE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3cccc(C#N)c3)n2CCCCCS(C)(=O)=O)C1 1749793554 XPKOHCCZBXVISB-HXUWFJFHSA-N 472.615 2.336 30 10 JEEE CC(C)(C)C(=O)NC[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCS(C)(=O)=O)C1 1750109479 BOYHHZSRNIPUCW-SFHVURJKSA-N 472.615 2.240 30 10 JEEE C[C@]1(C#N)CCCN(c2nnc(COc3ccc(F)cc3)n2CC2(C(N)=O)CCOCC2)C1 1751276046 CKNCWMXOZQDIPJ-JOCHJYFZSA-N 456.522 2.408 30 10 JEEE Cc1cscc1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1751753806 AVOBKTYINJROCL-UHFFFAOYSA-N 467.603 2.075 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1Cc1ccnc(SCC)c1)[C@@H]1CCS(=O)(=O)C1 1760184027 GLROCGSZDSWDGJ-GOSISDBHSA-N 470.624 2.466 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@H](c1ccccc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1760191604 KNFVNDSBMIRWTK-PKTZIBPZSA-N 495.653 2.069 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccncc2)n1C[C@H]1CCS(=O)(=O)C1 1760243555 NZVYNCZTXJXVRO-HXUWFJFHSA-N 453.543 2.478 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1CCN1CCN(C)C(C)(C)C1 1760244297 PYVOULOXPLWFKJ-UHFFFAOYSA-N 492.466 2.158 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCOC(C)C)CC1 1760269289 DMLTXKYODAYALT-NRFANRHFSA-N 453.543 2.181 30 10 JEEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1760281755 QZROFOXBCXZJBV-HXUWFJFHSA-N 474.675 2.109 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccc2OC)nnc1N1CC[C@H](S(C)(=O)=O)C1 1760323567 DVVLJFFNMQXAPT-DXIQSLLYSA-N 460.600 2.482 30 10 JEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](c2nc(C)c(C)s2)C1 1760510291 PLSVUNSCBUZVBE-SJORKVTESA-N 466.633 2.254 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(Cc2ccc(OC)c(F)c2)CC1 1760525366 CJUJCLZERRTPPN-UHFFFAOYSA-N 479.560 2.036 30 10 JEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CC[C@@]2(C)[C@H](C1)C2(Cl)Cl 1760557648 SKNOCQVATCKLGO-KSSFIOAISA-N 476.430 2.021 30 10 JEEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(=O)(=O)Cc2ccon2)CC[C@H]1C 1762965854 CNIJIKIYZAPXHW-IAGOWNOFSA-N 469.571 2.407 30 10 JEEE CC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1)NC(=O)OC(C)(C)C 1764224479 AXCAXNUFJMQTKW-RTBURBONSA-N 483.573 2.071 30 10 JEEE CCCNC(=O)CCn1c(N2CCO[C@H](c3cccc(C#N)c3)C2)nnc1[C@@]1(OCC)CCOC1 1764556748 FDSHURNFCXVCPQ-SQJMNOBHSA-N 482.585 2.296 30 10 JEEE CCn1cnnc1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(CC#N)CC1 1765351781 BXHVGWFDDXAIPB-UHFFFAOYSA-N 454.560 2.138 30 10 JEEE CCC[C@H](C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1765470454 BFCZBYBTEHVJKR-PXNSSMCTSA-N 472.615 2.383 30 10 JEEE C#CCOC(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(Br)cc2)cc1 1859009565 UYXUPPMKFCBMIV-UHFFFAOYSA-N 465.325 2.470 30 10 JEEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1cccc([N+](=O)[O-])c1 1862740038 NHULIACDYZBQFA-GOSISDBHSA-N 454.395 2.217 30 10 JEEE N#C[C@@H](c1cccs1)N1CCC(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCOCC2)CC1 1868783946 URZIQUDCCQFHDF-VXKWHMMOSA-N 482.606 2.317 30 10 JEEE CSCC[C@@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc(N2CCN(C)CC2)cc1 1869928534 OFAQTFOUZIQKGD-HXUWFJFHSA-N 487.651 2.237 30 10 JEEE COc1ccc(N2C[C@H](C(=O)Nc3c(C#N)nnn3Cc3ccc([N+](=O)[O-])cc3)CC2=O)cc1 1870110662 CFVGPYMYWUYSOR-OAHLLOKOSA-N 461.438 2.106 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)OCCOc2ccccc2)cn1CCNC(C)=O 1870327847 QJFZYKGZCIOKCQ-UHFFFAOYSA-N 483.565 2.159 30 10 JEEE CCCCCCCCn1cc(OCC(=O)Nc2ccccn2)c(=O)cc1CN(CCO)CCO 1870499758 UWOXMHPVCRXHTC-UHFFFAOYSA-N 474.602 2.408 30 10 JEEE C=CCN=c1nc(N2CCN(C(C)=O)CC2)[nH]c(=Nc2cccc(OCc3ccccc3)c2)[nH]1 1871634140 JRMILKCVMRMBDK-UHFFFAOYSA-N 459.554 2.304 30 10 JEEE CCOc1cc(/C=N/n2c(CNC(C)=O)nnc2SC)ccc1OCC(=O)N(CC)CC 1874430030 PJYJGAWOTVPLKQ-FSJBWODESA-N 462.576 2.164 30 10 JEEE CC(C)N1C(=O)CS[C@@H](C(=O)Nc2cnc(N3CCOCC3)nc2)[C@@H]1c1ccc(C#N)cc1 1889379028 COWCABVTSSLMIG-LEWJYISDSA-N 466.567 2.217 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)NC[C@]1(O)CCCN(C(=O)OC(C)(C)C)C1 2081463936 DJJBNPKLCGPRED-KSFYIVLOSA-N 454.568 2.452 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1CCN1S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2247950725 DSXLRGWTFJZPGZ-ZDUSSCGKSA-N 458.411 2.335 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CC[S@](=O)(=NC(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)C1 2255545367 PATTWVCQVLKJAB-AOYOOGHLSA-N 454.354 2.484 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC1CN(C(=O)OCc2ccccc2)C1 2255614286 IOEDULYPOVXAQB-UHFFFAOYSA-N 468.363 2.201 30 10 JEEE C=C(CS(=O)(=O)NCCO[C@@H]1CCN(C(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2255955279 LJNKDUPGPPVHNU-MRXNPFEDSA-N 460.402 2.119 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N[C@H]2[C@H]3OCCC[C@@H]3[C@H]2NC(=O)OC(C)(C)C)C1 2266541108 WLNUTOSSLIGFMU-CFFJPLFGSA-N 463.575 2.480 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@](F)(CNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2267090265 CGZBLYYZUISYBJ-KIFPSNHUSA-N 452.336 2.082 30 10 JEEE Cn1nc(C(=O)NC2CC3(C2)C[C@H]3NC(=O)OCc2ccccc2)cc1B1OC(C)(C)C(C)(C)O1 2267128222 OYZBDXMPLXGRAR-WHEQYPTASA-N 480.374 2.297 30 10 JEEE CC(C)[C@@H](CCNC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2267132337 OEVSXDNSOCKFCW-MRXNPFEDSA-N 450.389 2.389 30 10 JEEE COCC1(CNC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2267166056 MWCUMZSGLBKKOG-UHFFFAOYSA-N 467.397 2.056 30 10 JEEE CC(C)(C)OC(=O)N1CC(CO)(NC(=O)c2c(Cl)cccc2B2OC(C)(C)C(C)(C)O2)C1 2267167209 CMKBAWGLMMVOBX-UHFFFAOYSA-N 466.771 2.351 30 10 JEEE Cn1nc(C(=O)N[C@H]2[C@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2267182350 FNURMQURGUHVEJ-SCRDCRAPSA-N 466.775 2.110 30 10 JEEE CC(C)(C)OC(=O)N[C@]12C[C@H]1CN(S(=O)(=O)c1cccc(B3OC(C)(C)C(C)(C)O3)c1)C2 2267378233 NPKMIHBBJKJBDB-NYHFZMIOSA-N 464.393 2.274 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2ccsc2B2OC(C)(C)C(C)(C)O2)[C@H]2COC[C@H]12 2267457312 OHTMHNKVZPCIMK-OAGGEKHMSA-N 464.393 2.411 30 10 JEEE CC1(C)OB(c2cc(F)ccc2S(=O)(=O)N(OCc2ccccc2)C2CNC2)OC1(C)C 2267466370 YZDLOJXTQVKNCJ-UHFFFAOYSA-N 462.352 2.219 30 10 JEEE CCC[C@@H](CNC(=O)OC(C)(C)C)NS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2267704228 KHEKYYFBYJHOAM-INIZCTEOSA-N 469.413 2.353 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC(CNC(=O)OC(C)(C)C)C1 2267704271 KZYDQSPSBQMYPV-UHFFFAOYSA-N 466.409 2.439 30 10 JEEE C[C@H](NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)c1nscc1B1OC(C)(C)C(C)(C)O1 2268633300 RMUOFPMWWAPANG-ZFWWWQNUSA-N 467.397 2.255 30 10 JEEE Cc1c(C(=O)N[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281797885 AKYSIFSUKABUNK-HOTGVXAUSA-N 462.400 2.451 30 10 JEEE CC(C)(C)OC(=O)NCCCN1CCN(C(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)CC1 2281800579 KVYFKZMJDWVKJI-UHFFFAOYSA-N 463.384 2.251 30 10 JEEE CN(C)[S@](=O)(=NC(=O)[C@@H]1C[C@@H]1B1OC(C)(C)C(C)(C)O1)N1CCN(C(=O)OC(C)(C)C)CC1 2281925065 WKYRPXOPDWKRIO-GNGHXOLXSA-N 486.444 2.408 30 10 JEEE Cn1cc(C(=O)NC[C@H]2CCCN(C(=O)OC(C)(C)C)CC2)c(B2OC(C)(C)C(C)(C)O2)n1 2281981826 PMGBIAADOCMMQH-INIZCTEOSA-N 462.400 2.486 30 10 JEEE 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]1C 2282004312 IRZXVAXOEDDUTQ-ZBFHGGJFSA-N 462.400 2.403 30 10 JEEE Cc1ccnc(C(=O)N2CCC[C@H](CNC(=O)C(F)(F)F)C2)c1B1OC(C)(C)C(C)(C)O1 2282005122 NXPMRSDUBQAWGY-CQSZACIVSA-N 455.286 2.220 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H](C)C[C@H](NC(=O)OC(C)(C)C)C1 2282005955 SCCOUVUEFGFFMZ-HOCLYGCPSA-N 462.400 2.403 30 10 JEEE Cn1cc(C(=O)N[C@]23CCC[C@H]2CN(C(=O)OC(C)(C)C)C3)nc1B1OC(C)(C)C(C)(C)O1 2282042368 CENKAWQVMOTLKR-WNSKOXEYSA-N 460.384 2.239 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@]2(C[C@H](NC(=O)c3occc3B3OC(C)(C)C(C)(C)O3)CO2)C1 2282055054 YWRKDGYGZMLHJY-WNSKOXEYSA-N 462.352 2.477 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1CCCCN1S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282350173 JRAOVXQBEJWFAB-KRWDZBQOSA-N 481.424 2.449 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N[C@@H]2CN(Cc3ccccc3)C(C)(C)C2)n1 2282497265 NQKOEOPXYZETES-SFHVURJKSA-N 474.436 2.051 30 10 JEEE Cn1ncc(C(=O)NC[C@H]2CCCCN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2282565987 RMQUQIOFIGGAOF-MRXNPFEDSA-N 462.400 2.486 30 10 JEEE Cc1c(C(=O)N2CC[C@]3(CCN3C(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282569524 STSQGVFHLSCHPD-QHCPKHFHSA-N 460.384 2.253 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)c3csc(B4OC(C)(C)C(C)(C)O4)c3)C[C@H]2[C@H]1CO 2282630650 LLYVMIBAOREQKU-GVDBMIGSSA-N 478.420 2.347 30 10 JEEE CC(C)(C)OC(=O)N1CC(O)(CC(=O)N2Cc3cccc(B4OC(C)(C)C(C)(C)O4)c3C2)C1 2283964240 RTRPBFMNTQVPIZ-UHFFFAOYSA-N 458.364 2.200 30 10 JEEE Cc1nc(NC(=O)CO[C@@H]2CCN(C(=O)OC(C)(C)C)C2)ncc1B1OC(C)(C)C(C)(C)O1 2284045891 SRRIFUXZBXKJOC-OAHLLOKOSA-N 462.356 2.049 30 10 JEEE CC(C)(C)OC(=O)N1CC(C)(C)OC[C@H]1CC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2284127934 AXRHQUXHWKQDRG-CYBMUJFWSA-N 482.412 2.002 30 10 JEEE CC1(C)OB(c2cccc(C(=O)N[C@@]3(C(=O)O)CCN(Cc4ccccc4)C3)c2)OC1(C)C 2284493035 VXLAYDOQOCSBHJ-VWLOTQADSA-N 450.344 2.445 30 10 JEEE Cc1c(C(=O)N2C[C@@H]3C[C@@]3(CNC(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2288260968 MWFFULZHTYZKAZ-NPMXOYFQSA-N 460.384 2.015 30 10 JEEE CN(C(=O)c1sncc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1F 2320556579 XDWLHJRTBLLRFL-ZIAGYGMSSA-N 455.361 2.472 30 10 JEEE Cn1cc(C(=O)N[C@H]2C[C@@H]3C[C@H]2C[C@H]3NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2359268173 YHVKODSHECTFAI-NXNVCVFFSA-N 460.384 2.141 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1C(=O)N1CCc2scc(B3OC(C)(C)C(C)(C)O3)c2C1 2361642083 TZABUWNSCURUEI-DOTOQJQBSA-N 478.420 2.472 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 2362358245 XWJMGKBAZHRMNS-HZPDHXFCSA-N 460.384 2.191 30 10 JEEE CO[C@@H](CNC(=O)OC(C)(C)C)CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1C 2365478746 YODJFWCQIHLYDU-KRWDZBQOSA-N 484.424 2.112 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@H]2C[C@H](NC(=O)c3ccoc3B3OC(C)(C)C(C)(C)O3)C[C@@H]21 2368867417 UODIAGLLYGSIOX-HYVNUMGLSA-N 462.352 2.476 30 10 JEEE COc1ccc(CCNC(=O)c2ccc(/N=C3\N[C@@H]4CS(=O)(=O)C[C@H]4S3)cc2)cc1OC 2686740 GCRAPGVMIIQFDZ-YLJYHZDGSA-N 475.592 2.166 30 10 JEEE C#CCn1/c(=N\C(=O)C2CCN(S(C)(=O)=O)CC2)sc2cc(Br)ccc21 13789651 NKTUOSMZPRCAEK-HTXNQAPBSA-N 456.387 2.197 30 10 JEEE Nn1c(N/N=C/c2cc(Br)ccc2O)nnc1SCC(=O)NCc1ccc(F)cc1 21319384 DDAOUALSNBLKIB-NUGSKGIGSA-N 494.350 2.454 30 10 JEEE COCCn1c(O)c(C(=O)CN2C(=O)/C(=C/c3ccccc3)SC2=S)c(C)c(C#N)c1=O 38620586 DSZCMCWWZQKCKI-YVLHZVERSA-N 469.544 2.465 30 10 JEEE COc1cc(NC(=O)C[C@@H]2N=C(N/C(N)=N/c3ccccc3C)N=C2O)cc(OC)c1OC 40376430 LYUWUWXXVINMPK-HNNXBMFYSA-N 454.487 2.280 30 10 JEEE C=CCn1nc(C)c(/C=N/Nc2nnc(SCC(=O)NCc3ccc(C)cc3)n2N)c1C 59829881 NZNGVMBLXSTYRQ-WYMPLXKRSA-N 453.576 2.154 30 10 JEEE COc1cc(NC(=O)CSc2n[nH]c(N/N=C/c3c(C)nn(CCO)c3C)n2)ccc1Cl 59888059 AAJOFWCZOYNUFD-ZVBGSRNCSA-N 478.966 2.449 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@@H](CS(=O)(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 208061894 ZNOKFXOQDZHPTK-OAHLLOKOSA-N 467.397 2.197 30 10 JEEE C#CCCN1C(=O)[C@H]2[C@H](C1=O)[C@@](Cc1ccc([N+](=O)[O-])cc1)(C(=O)O)N[C@H]2c1ccccc1C 248099237 OSTMFBSDGMEBFY-PDFGSZSQSA-N 461.474 2.238 30 10 JEEE COc1cc(NC(=O)CSc2nnc(NN=C(C)c3ccccc3O)n2N)cc(OC)c1 1084025340 OFAQVTYMCCKVET-UHFFFAOYSA-N 457.516 2.282 30 10 JEEE N#Cc1ccc(CS(=O)(=O)N2CCN([C@H]3CCCN(Cc4ccccc4)C3=O)CC2)cc1 1211839824 IBGWORVIOAXHEQ-QHCPKHFHSA-N 452.580 2.197 30 10 JEEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1286339277 VAMVTMRFKXZAPH-SFTDATJTSA-N 485.677 2.236 30 10 JEEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(OCC)CCCC1)[C@H]1CCS(=O)(=O)C1 1286384078 PICWOIBTYHXBEW-GBXCKJPGSA-N 494.658 2.295 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2cccc(OC)c2)CC1 1286495477 WZJFBHBAABFSSG-UNMCSNQZSA-N 467.570 2.025 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(CNC(C)=O)CC1 1286563295 JBIFPMNGWXIWKA-FYYLOGMGSA-N 455.607 2.473 30 10 JEEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2cccc(Cl)c2)CC1 1286585419 GBJQJXLEQRBPEM-HNNXBMFYSA-N 466.995 2.080 30 10 JEEE C=C(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1286585834 RIWUSAOLOBBZAN-LJQANCHMSA-N 472.565 2.114 30 10 JEEE C=C(Cl)Cn1c(N2CCN3C(=O)N(C)C[C@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1286635453 SOBHWZLDJHAYKM-XHSDSOJGSA-N 465.986 2.357 30 10 JEEE C=CCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H]1c1nncn1C 1286709197 ZBFQZVWZXPXZMI-LJQANCHMSA-N 471.587 2.411 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN(c2ccccc2C#N)CC1 1286818529 KBZKZIBEOSSBQU-UHFFFAOYSA-N 465.583 2.083 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2CC)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1286823957 RTEPPHOSMWKRQW-MOPGFXCFSA-N 476.555 2.134 30 10 JEEE C=CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1286831357 ZJTALKKKSWIXLO-JKSUJKDBSA-N 490.655 2.369 30 10 JEEE Cc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@](C)(C#N)C2)cc1 1289680341 GASDOBDJBANWAM-SIKLNZKXSA-N 458.588 2.098 30 10 JEEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCN([C@H](C)C(=O)NC4CCCC4)CC3)n[nH]2)c1C 1293053512 SYTUPWJCHAKAHE-GOSISDBHSA-N 453.591 2.281 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@H]2CC23CCOCC3)c1 1300330542 CFAMGGKTFBMUOK-LJQANCHMSA-N 464.570 2.289 30 10 JEEE C#CCCCn1c(N2CCC(N3CCNC3=O)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1300424772 LFTNXGCWXXFZNM-HDICACEKSA-N 471.606 2.456 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@]1(N(C)C)CCSC1)[C@H]1CCS(=O)(=O)C1 1300487165 HDRRLLRYFQBTKH-FDDCHVKYSA-N 489.667 2.018 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccc(C)n(C)c1=O 1300553326 DGQYRTJUWNSKGT-BGYRXZFFSA-N 464.570 2.177 30 10 JEEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(C(F)(F)F)cc1C 1300653588 NOUGYTYZZCSWTC-HNNXBMFYSA-N 473.521 2.350 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(S(C)(=O)=O)cc1 1300916581 ZBJXOOJDMCFZGS-GOSISDBHSA-N 466.629 2.229 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](C2CC2)C1 1301502831 PZQFDPRROBHATC-ROUUACIJSA-N 460.579 2.125 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H](NC(C)=O)C1 1301567913 AODWULAMNFLQQR-LPHOPBHVSA-N 479.578 2.263 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N(C)[C@H](C)c1ccc(F)c(F)c1 1301568454 SONRTWYAKHJXOP-CQSZACIVSA-N 455.531 2.493 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCN(Cc2cnc(C)s2)CC1 1301586277 FVRDIISBZWOLHQ-UHFFFAOYSA-N 452.650 2.165 30 10 JEEE COCCN1C[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(CC(C)C)C(=O)[C@@H]2C)CC1=O 1301859991 GWZSXLQAWFIVHG-PZJWPPBQSA-N 493.612 2.005 30 10 JEEE CN(C)[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)C1)c1ccsc1 1314652091 CUPHEONMVBYNNY-LJQANCHMSA-N 451.556 2.029 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCO[C@@H]1c1ccccc1 1358978563 PIUKYDHEDFLWIK-BHDDXSALSA-N 452.580 2.421 30 10 JEEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@]1(N(C)C)CCSC1 1358993618 SCXVYQCIXYGBBF-VWLOTQADSA-N 478.670 2.352 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1ccc(OC)nc1OC 1359007458 KTIQUZABMVLAHO-UHFFFAOYSA-N 459.510 2.112 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccsc2Br)CC1 1359028146 IMXHZZMPXBUJFP-UHFFFAOYSA-N 451.394 2.044 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCn2nc(C)cc2C)CC1 1359031854 RPLBZMXKPYCQDV-UHFFFAOYSA-N 481.626 2.007 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C)c2ncc(C)s2)CC1 1359040010 DZRAUSAMQWLXKJ-MRXNPFEDSA-N 492.609 2.460 30 10 JEEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](C2CCOCC2)C1 1359076586 GLVVECYXZDWBIE-HIFRSBDPSA-N 462.414 2.050 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)COC)CC1 1359093250 LJSKJICJGLFFEZ-UGKGYDQZSA-N 455.559 2.230 30 10 JEEE C=C(Cl)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCN(CC(=O)NCC)CC1 1359148740 ASQXRFINQZYZOH-UHFFFAOYSA-N 499.019 2.076 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@](C)(O)CC 1359282158 RYWZDTZAYXTEKL-VGSWGCGISA-N 453.584 2.386 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1359294433 TUXZOAAQAVPOJW-SJORKVTESA-N 460.485 2.096 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1ccoc1C 1359301151 SZNPGVIJVXYHPS-GOSISDBHSA-N 474.562 2.427 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN2C(=O)NC[C@H]2C1 1359309136 JHCIKCSZPHFCRY-IBGZPJMESA-N 467.574 2.023 30 10 JEEE C#CCn1ccc(CN(CCOC)C(=O)c2ccc(OC)cc2I)n1 1436122165 ZUZCGUSAWKRFBI-UHFFFAOYSA-N 453.280 2.418 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2C[C@H](OC(C)(C)C)[C@H]2n2cccn2)s1 1449726686 NVHFUWIUCXAICW-GJYPPUQNSA-N 452.602 2.265 30 10 JEEE C#CCN(C(=O)c1cccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c1)C1CCN(C)CC1 1456170826 VJNJDJZCMYFVSZ-UHFFFAOYSA-N 455.536 2.386 30 10 JEEE N#Cc1cccc([C@@H]2CN(CC(=O)NCC(=O)Nc3ccccc3Br)CCO2)c1 1459889169 HIKWRMNZAYFDQJ-IBGZPJMESA-N 457.328 2.449 30 10 JEEE C#C[C@@H](NC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O)c1ccc(Br)cc1 1460789985 SXCONYJRDRSALU-LJQANCHMSA-N 452.308 2.312 30 10 JEEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1507559033 WUURTYVKWUQGQN-DVECYGJZSA-N 487.626 2.383 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1cccc(OCC)c1)[C@H]1CCS(=O)(=O)C1 1507633446 DXMWUWGJFVNQHZ-NRFANRHFSA-N 465.579 2.338 30 10 JEEE C#CCN(c1nnc(CSc2ccc(C)cc2)n1CCCC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1507639376 XOLYXIQEMCDJQG-LJQANCHMSA-N 489.667 2.374 30 10 JEEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccc(C)cc1)N1CCCC1 1507642616 LOINOOXKCKRJDY-UNMCSNQZSA-N 468.627 2.107 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccccc2OCC=C)CC1 1507733735 KIAYZYQMSBUNKQ-UHFFFAOYSA-N 476.581 2.093 30 10 JEEE C#CCSCCn1c(CCOc2ccccc2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1507756750 YFCJALSVXMPQRE-NRFANRHFSA-N 469.611 2.094 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1507808345 QQDWIVBEXKNESC-QKLQHJQFSA-N 470.540 2.455 30 10 JEEE C=C1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1507879381 UAVZRZAQCNAJGJ-QHCPKHFHSA-N 476.599 2.447 30 10 JEEE C=CCOc1ccccc1Cn1c(N2CCNC(=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1508107667 FHEBVLILDMLWLN-DEOSSOPVSA-N 455.559 2.258 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3Cl)n2CCN2CCCS2(=O)=O)C1 1508111841 JQIIYGRPVTWYKS-INIZCTEOSA-N 451.980 2.415 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2c[nH]c3ccccc23)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1508141224 UPILNDCELQVQFR-MRXNPFEDSA-N 477.612 2.041 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCN(C)C(=O)C1 1508148105 GELMAUFDEWCOCS-UHFFFAOYSA-N 488.397 2.043 30 10 JEEE C=CCSCCn1c(-c2ccc(CC)cc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1508151830 OXCNRLCEUWLBDL-UHFFFAOYSA-N 468.627 2.354 30 10 JEEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](CC)N2CCCC2)C1 1516022099 CRDAYYCKRPVFPF-RTWAWAEBSA-N 471.631 2.209 30 10 JEEE COc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1CCC(=O)NC1CCCCC1 1518518322 GHKSCGWUHCHLOC-LJQANCHMSA-N 468.558 2.433 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCO[C@H](C)C2)c1 1539043401 PYTKRGMFTRLPCK-POAQFYNOSA-N 450.543 2.101 30 10 JEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2csc(C)n2)CC1 1539072733 VFGHGEHVFTYREJ-GOSISDBHSA-N 462.645 2.071 30 10 JEEE C#CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(C(=O)OCC)CC1 1539116673 PSIZZDFPJPNNTC-UHFFFAOYSA-N 463.542 2.367 30 10 JEEE C#CCN(c1nnc(-c2cccc(Br)c2)n1CC1(O)CCC1)[C@H]1CCS(=O)(=O)C1 1539205477 IRUZMIGDPNCYDM-KRWDZBQOSA-N 479.400 2.249 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1C[C@]1(OC)CCOC1)[C@@H]1CCS(=O)(=O)C1 1539210783 DNZHJVCHLVTBKU-WIYYLYMNSA-N 464.975 2.031 30 10 JEEE C#CCN(c1nnc(-c2cc3c(s2)CCCCC3)n1CC(=O)N(C)CC)[C@@H]1CCS(=O)(=O)C1 1539210981 FNDRDVRFAYNTMN-GOSISDBHSA-N 489.667 2.381 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1cccnc1OCCC)[C@@H]1CCS(=O)(=O)C1 1539222860 XOMDUHXPBZGZTQ-UXHICEINSA-N 473.599 2.379 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CC[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1539229213 AIILMOZTQMPZFL-IEBWSBKVSA-N 462.547 2.050 30 10 JEEE C#CCN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1539345126 QBLAPDASCOXBEW-CJFMBICVSA-N 468.602 2.447 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccc(C)n2)n1CCCNS(C)(=O)=O 1539390675 UJIBGJSSHILVBC-UHFFFAOYSA-N 456.547 2.367 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H]2CCCN(CC(C)C)C2)CC1 1539430238 HNXRJBOSAGQLPL-DHLKQENFSA-N 458.651 2.053 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H](C2CCCCC2)N(C)C)CC1 1539462065 BITLEYRPZHNOQX-ZRBLBEILSA-N 458.651 2.268 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCc2cc(C(F)(F)F)ccn2)CC1 1539477519 PGOVUUNNFOWDSO-UHFFFAOYSA-N 484.486 2.357 30 10 JEEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 1539510209 GHFXLWDRYUPABX-UHFFFAOYSA-N 450.528 2.336 30 10 JEEE C#CCSCCn1c(C2CCC2)nnc1N1C[C@@H]2[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1539514270 PHSYECYHJPVISY-FGTMMUONSA-N 495.671 2.039 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2ccccc2)CC1 1539599554 HMEXYYYWHWVJHM-QGZVFWFLSA-N 494.415 2.051 30 10 JEEE C=C(Cl)Cn1c(COc2cc(C)ccc2C)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1539817216 KQIADRNBZBMODQ-UHFFFAOYSA-N 487.004 2.497 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1539902291 DFBNATIOXKXGSY-IAGOWNOFSA-N 455.625 2.265 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1539917870 XXAQKMPSCOAWNK-OWCLPIDISA-N 495.568 2.369 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc(-c2cccc(C)n2)n1C[C@]1(O)CCS(=O)(=O)C1 1540127779 WVWJXDDIEJDCPJ-HSZRJFAPSA-N 453.568 2.391 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(Cl)ccc1OC 1540170490 ONVRYVVEQWPBNG-LJQANCHMSA-N 482.006 2.500 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCCN(C(=O)CC2CCCC2)CC1 1540868729 PKTIWGSATDCBEM-UHFFFAOYSA-N 451.575 2.261 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2Cc2cc(C)no2)C1 1540885084 BJWBOFZVOAUTBS-GOSISDBHSA-N 472.571 2.321 30 10 JEEE CNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cnccc2OC)CC1 1554437853 FYAQBKMEJQJRDC-UHFFFAOYSA-N 461.526 2.143 30 10 JEEE C#CC[C@@]1(C(=O)NC2CCN(S(=O)(=O)CC(C)C)CC2)CCCN1C(=O)OC(C)(C)C 1566948627 LFGOHFRSSBRLTO-QFIPXVFZSA-N 455.621 2.346 30 10 JEEE C=CC[C@@H]1CCCN(C(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C/c2ccccc2)C1 1583961521 YULNUMKOMYIWGV-SQHFCFANSA-N 454.614 2.195 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3csc(C)n3)n2CCN2CCOC[C@H]2C)c1 1587697072 JFQTWVOGRWMBJT-GOSISDBHSA-N 493.637 2.411 30 10 JEEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1587861215 IGHNUBHDOBAFPO-PMACEKPBSA-N 469.590 2.176 30 10 JEEE C#CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CCC(=O)N1CCOCC1 1588015928 HEUQHSBNBJIBKB-UHFFFAOYSA-N 452.342 2.482 30 10 JEEE C#CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CCC[C@H]1OC 1588581115 HDTSAILMBHSONC-RBUKOAKNSA-N 474.631 2.448 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2CCCN2CCCCC2)CC1 1588961834 NRLSTLBYGWFBKB-UHFFFAOYSA-N 497.669 2.111 30 10 JEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 1588975967 NYYCWAWKPPQHKJ-SFHVURJKSA-N 473.578 2.322 30 10 JEEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(c2nccc(OC)n2)CC1 1589304329 FFMZIIUXSNVJPR-OAHLLOKOSA-N 482.383 2.036 30 10 JEEE C=CCN(c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC[S@@](=O)CC)C1CC1 1595026246 HRUPYMVMZBNXLY-PMERELPUSA-N 450.634 2.470 30 10 JEEE C=CCOc1ccc(Cn2c(-c3cccn3C)nnc2N2CCC(OCC(N)=O)CC2)cc1 1595607116 AFNSOTZBTGSTLT-UHFFFAOYSA-N 450.543 2.367 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCO[C@@H](C#N)C1 1595759418 FEDLEUQVTQPYLD-MOPGFXCFSA-N 459.572 2.365 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCC(OCCN3CCCC3)CC2)nnc1C(C)(C)C 1595830797 HLARXZXWLBXISC-UHFFFAOYSA-N 453.653 2.258 30 10 JEEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H]2CCCOC2)c1 1617705733 FELUMBWUDWZBDN-KKSFZXQISA-N 462.551 2.064 30 10 JEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC[C@](O)(/C=C\OCC)C(F)(F)F)cc1 1622886461 GOGSJCGMIAVLEO-XSLBHYSZSA-N 451.467 2.458 30 10 JEEE C#CCN(C(=O)NCc1cccc(N2CCOCC2)n1)C1CCN(C(=O)OC(C)(C)C)CC1 1634564164 FTGGSAMNRYXFGJ-UHFFFAOYSA-N 457.575 2.463 30 10 JEEE C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]2c2cccc(C)c2)CC1 1635994217 YWHVDVFAQMFBMT-IZZNHLLZSA-N 458.606 2.104 30 10 JEEE N#Cc1ccc(CN2CC[C@H](NC(=O)NCc3ccnc(N4CCSCC4)c3)C2=O)cc1 1680778029 AICCWYVBIFGYHY-FQEVSTJZSA-N 450.568 2.107 30 10 JEEE C#CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCO[C@H](CNC(C)=O)C1 1689928121 HKNPEWAVGXTGSR-WOJBJXKFSA-N 474.606 2.147 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@H]1C[C@H](C)O[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1689994408 XQPNUSLDLBTZBR-YHELAOLJSA-N 457.600 2.094 30 10 JEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1Cc1cccnc1OCC(F)(F)F 1690053131 YHWQSXQXQALLSG-UHFFFAOYSA-N 460.460 2.248 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2CCN2CCOC(C)(C)C2)CC1 1690152352 INIPSWYVASLIKM-UHFFFAOYSA-N 498.603 2.073 30 10 JEEE C=CCn1c(-c2cc(Br)cn2C)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1690629729 CHNBMXMQSNZXNN-HNAYVOBHSA-N 476.423 2.221 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Br)cc3)n2CCNS(C)(=O)=O)C1 1690690362 XDLNPYNUYTUTLH-INIZCTEOSA-N 470.393 2.038 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3OCC[C@H]3COC)n2CC[C@H]2CCOC2)c1 1705508577 YEFDECLOOYFMSF-JTAQYXEDSA-N 467.570 2.485 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1705635179 SNTIRLIYLNXWRI-SFHVURJKSA-N 471.403 2.378 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@@H](C)CN2CCOCC2)CC1 1705636511 NCAVGZNKCWVGLT-QFIPXVFZSA-N 496.656 2.464 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H](C)N2CCC(C)CC2)CC1 1705644895 FLWGHTWSOAWPGD-RLWLMLJZSA-N 486.661 2.016 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OC)n2CCn2cc(C)cn2)CC1 1705650943 DOOPYIQOARGODS-UHFFFAOYSA-N 477.569 2.037 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCCN1C[C@H](C)C[C@@H](C)C1 1705668058 CQPBLJHKTATHBA-NXWNEQKCSA-N 450.653 2.248 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc2c(c1)OCCO2 1705696855 IOJFXRAELRIOGA-MMOPVJDHSA-N 491.614 2.277 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1705698935 AFCCRCRZIGQOQY-SCTDSRPQSA-N 460.579 2.268 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC)cc1OC 1705716881 XVMFJYIXILBLRQ-FQEVSTJZSA-N 479.603 2.079 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ccc(F)c(F)c2F)CC1 1705769161 KPOBMPRMPLQSBC-KRWDZBQOSA-N 485.532 2.427 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCN2C(=O)NC[C@H]2C1)C(C)C 1705867427 NOEYNXZHOVYZSQ-HBMCJLEFSA-N 457.623 2.432 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1)C(C)C 1705869566 YNOQSSMGUWWGNH-NJDAHSKKSA-N 457.623 2.037 30 10 JEEE C=CCn1c(-c2ccc(F)cc2Br)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1705887778 BKLRTPXMCSFCOS-UHFFFAOYSA-N 491.365 2.304 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCc2cccc(Br)c2C1 1705934351 JKOGVCBMLZIDPL-QGZVFWFLSA-N 494.415 2.155 30 10 JEEE Cc1n[nH]cc1CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1706998615 ATNKOPBUDPEIPI-UHFFFAOYSA-N 482.614 2.341 30 10 JEEE CS(=O)(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cccs2)CC1 1712707717 CKMNVQLRKCRYNM-UHFFFAOYSA-N 472.596 2.357 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc(OC)c(Br)c1 1722274917 AQTLYSPUKVRORB-KBPBESRZSA-N 484.420 2.360 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CCc1c(F)cccc1F)[C@@H]1CCS(=O)(=O)C1 1722358563 IZRZUXWCGBBLFC-QGZVFWFLSA-N 493.580 2.344 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@H](C)OC)[C@H]1CCS(=O)(=O)C1 1722362476 BECHXRMDWLWMKX-RYRKJORJSA-N 450.536 2.219 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCc1ccc(Cl)s1)[C@H]1CCS(=O)(=O)C1 1722367275 MKEPGVZYVCNDRU-CABCVRRESA-N 455.005 2.366 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)COc1ccccc1OC 1722397293 OZUZUVORCAEHAA-UXHICEINSA-N 470.595 2.367 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@H]2CCCCS2(=O)=O)CC1 1722441143 HPPHTXYVBAFANF-QFIPXVFZSA-N 471.627 2.196 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CCCN(C)CC(F)(F)F)CC1 1722449606 WATWHXQOOXYKFL-UHFFFAOYSA-N 477.535 2.114 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(CC(=O)NCC)CC1 1722495899 IKVNVNZHHDHYHK-CYFREDJKSA-N 498.628 2.202 30 10 JEEE C=C(C)Cn1c(COc2cc(C)ccc2C)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1722524758 PCCSNZZUKUXHEP-UHFFFAOYSA-N 468.602 2.031 30 10 JEEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1722534590 SHIURDLIPNYPSS-HSZRJFAPSA-N 453.635 2.461 30 10 JEEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@@H]1C(C)C 1722689107 PWDFPIIJJHAJES-QGZVFWFLSA-N 459.620 2.474 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1722695764 PBQSSTKQATWZRW-UHFFFAOYSA-N 479.928 2.028 30 10 JEEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN(CC2CC2)CC1 1722699033 QNYVSOZOYDCUEH-UHFFFAOYSA-N 487.649 2.227 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCN2CCCCCC2=O)C1 1722709702 WHCSRUYPPSXPDD-LJQANCHMSA-N 467.574 2.499 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@@H](OC)C1 1722724415 WLHAQHDYHBXMJV-OAHLLOKOSA-N 472.409 2.262 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCC(NC(=O)c2ccccc2)CC1 1722729416 KEFNNRSNIPCHTP-UHFFFAOYSA-N 494.621 2.264 30 10 JEEE CC(=O)NC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCCS2)CCO1 1722848347 HLFMOXOZJDDYGB-SFTDATJTSA-N 470.599 2.356 30 10 JEEE CC[C@H](C)NC(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@@](F)(C#N)C1 1727094322 CROXNHRFSVWAQC-RCDICMHDSA-N 452.494 2.341 30 10 JEEE CNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1729609223 DTGDHIXHGGOHKD-FQEVSTJZSA-N 465.602 2.138 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2CC(C)(C)C(=O)NCC)c1 1740564335 JYXRISVWXOJGLL-UHFFFAOYSA-N 473.581 2.482 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCCOC3)n2C[C@@H]2CCO[C@@H](C)C2)n1 1740688497 GDYPUDXACAYMOD-PWRODBHTSA-N 456.591 2.470 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H](OC)c2ccccc2)CC1 1740691937 DAGBDIBUMVSPFU-DHLKQENFSA-N 453.587 2.462 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CC2(N3CCC(OC)CC3)CCCC2)CC1 1740705068 AHBZJKUXPLCSCP-UHFFFAOYSA-N 456.635 2.230 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2C[C@@](C)(O)C(C)C)CC1 1740705354 GBKPTXAUGWLCBK-SQJMNOBHSA-N 467.570 2.163 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc2c(c1)OCCO2 1740774500 UCJRLXJBMYKNEZ-OAQYLSRUSA-N 491.614 2.027 30 10 JEEE C=CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2CCOC[C@H]2C1 1740877104 REJVQWKGLVBRCK-RTBURBONSA-N 462.595 2.074 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCOC2(CCOCC2)C1)C(C)C 1740927648 WDCZJLGYZARFHK-NHCUHLMSSA-N 472.634 2.314 30 10 JEEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1740995306 HNNAIYNOXWZSSY-UHFFFAOYSA-N 476.632 2.140 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@@H]1CCCOC1 1741676476 HJMNHXAGGZSJJQ-NRFANRHFSA-N 451.575 2.037 30 10 JEEE CCN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CCn1cc(Br)cn1 1746335725 HYTKGLSPSTUJBU-UHFFFAOYSA-N 492.403 2.347 30 10 JEEE Cn1cccc1-c1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1CCS(C)(=O)=O 1748033471 FNVJDNSHZKHQRD-UHFFFAOYSA-N 454.556 2.248 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CCCN(CC)S(C)(=O)=O 1748650000 WHARJAAKSKNPAB-CYBMUJFWSA-N 457.398 2.165 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CNC(=O)c3cccs3)n2CCC(C)(C)O)c1 1748694206 AQEYYFOFFLFEBC-UHFFFAOYSA-N 480.594 2.487 30 10 JEEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1CC1(C)CCC1)[C@H]1CCS(=O)(=O)C1 1748820958 KENPCBUTJJJAAG-INIZCTEOSA-N 461.613 2.087 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H](C(C)C)N1CCOCC1 1748868032 QBCGRRUKNCGLBZ-WIOPSUGQSA-N 457.619 2.138 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccc(C)cc1)N(C)C 1748891702 DOIAQBBCCOMNEJ-FGZHOGPDSA-N 453.612 2.254 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCC2(CCN(C)C2=O)CC1 1749119563 UGWIHLCCJZLDAW-UFYCRDLUSA-N 461.607 2.432 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N(C)CCS(C)(=O)=O 1749135076 CKHABVLDFDYSDW-UZLBHIALSA-N 452.552 2.458 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CC[C@]2(CCC(=O)N2)C1)C(C)C 1749557059 GEVSXQQWSZWPKA-GBXCKJPGSA-N 452.607 2.236 30 10 JEEE C=CCN(CCOC)c1nnc(-c2ccccc2Br)n1CC(=O)N1CCOCC1 1749595967 PUMMLXLKFIMSFX-UHFFFAOYSA-N 464.364 2.205 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1749726938 KFBBEMHYKQLONY-QGZVFWFLSA-N 481.022 2.335 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC2(CC1)CNC(=O)C2 1749727515 WKBMKQOHDHXELF-UHFFFAOYSA-N 481.981 2.445 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1(CS(C)(=O)=O)CC1 1760096306 JJEJVSRAAMIWTM-OAHLLOKOSA-N 463.991 2.144 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1C[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1760181295 RZWBCNJMLVPQJZ-IJEWVQPXSA-N 466.405 2.329 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1Cc1ccc(N(C)C)cc1C)[C@@H]1CCS(=O)(=O)C1 1760183694 CVRRPBHHKSHATR-OAQYLSRUSA-N 466.611 2.333 30 10 JEEE C#CCN(c1nnc(-c2ccc3ccccc3n2)n1C[C@H](F)COC)[C@H]1CCS(=O)(=O)C1 1760183981 FTNMUAUMLZUKOX-ROUUACIJSA-N 457.531 2.105 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CC1(SC)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1760185159 QUARTZVGJACRIC-HXUWFJFHSA-N 485.635 2.356 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@H](CNC(C)=O)C1 1760320773 XRKXKOJMTWIZNY-VIZSFHNOSA-N 485.585 2.285 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(CCOC)C(=O)C1 1760324900 MUYVJXIKGYSAQU-CVDCTZTESA-N 457.550 2.284 30 10 JEEE C=CCC(C)(C)Cn1c(N2CCCN(S(C)(=O)=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1760416445 DKAOFRQDXYSKEY-JOCHJYFZSA-N 469.652 2.393 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC(NC(=O)CCC)CC1 1760514566 KBRRNUXBKZVIKG-UHFFFAOYSA-N 481.601 2.335 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1760518337 QUSBHCVDDCIEAO-OAHLLOKOSA-N 469.970 2.443 30 10 JEEE C=CCNC(=O)Cn1c(N2CCc3c(F)cc(F)cc3C2)nnc1[C@@]1(OC(C)C)CCOC1 1760528529 FYYRTWXADSRZTR-HSZRJFAPSA-N 461.513 2.462 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCOC[C@@H]1C 1760554315 ZKGNBSDXBMQBOM-KRWDZBQOSA-N 486.598 2.062 30 10 JEEE C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1763034167 BZTNKIQVFQZAQV-NVXWUHKLSA-N 461.492 2.368 30 10 JEEE C[C@@H]1CN(CCCn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H](C(N)=O)C2)CCCO1 1763198412 DKOSYPPQVCTDGQ-WIYYLYMNSA-N 451.575 2.019 30 10 JEEE C[C@@H]1OCC[C@]1(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1763267830 BXDGCMRELGZIPI-NYHFZMIOSA-N 492.502 2.252 30 10 JEEE CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1764580517 CSYBMLRMZXUWSE-MHECFPHRSA-N 468.558 2.029 30 10 JEEE CCS(=O)(=O)N(C)CCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@H](C#N)C1 1766697345 BODSEOPTIQTJOL-QFBILLFUSA-N 497.021 2.472 30 10 JEEE CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCSC(F)(F)F)CC1 1767214793 BDKQDMUSRYKENG-UHFFFAOYSA-N 467.521 2.328 30 10 JEEE COc1ccc(O[C@@H](C)Cn2c(C)nnc2N2CCN(c3c(C#N)c(C)nn3C)CC2)cc1 1768706077 AIDMUECDURDUIO-INIZCTEOSA-N 450.547 2.303 30 10 JEEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CC2(C)C)CCN1S(C)(=O)=O 1770672642 ICLNGTOEHRZSIS-FUHWJXTLSA-N 458.588 2.245 30 10 JEEE N#C[C@@]1(F)CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC2CCS(=O)(=O)CC2)C1 1771527610 ASSFVSNQOSEMQZ-KRWDZBQOSA-N 471.356 2.302 30 10 JEEE C=C(C)Cn1c(COc2ccccc2OC)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1772543485 MQYJONJGBYKAJJ-TZIWHRDSSA-N 468.602 2.431 30 10 JEEE C=CC1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCS(=O)(=O)NC(C)C)CC1 1772554907 RXNQLNMFBUBTLN-OAQYLSRUSA-N 455.625 2.049 30 10 JEEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1862616938 WHYSXNYNRRVQDN-QKVFXAPYSA-N 498.444 2.096 30 10 JEEE N#Cc1ccc(COc2cn(CCCN3CCCC3=O)c(CN3CCC(O)CC3)cc2=O)cc1 1870347714 PWXQPIQUGGMPFV-UHFFFAOYSA-N 464.566 2.268 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)OC(C)(C)C)cn1CCN1C(=O)CSC1=O 1870445684 IDBJSFLXPFCTLP-UHFFFAOYSA-N 477.583 2.438 30 10 JEEE CCCCCCCCn1cc(OCC(=O)NCCC)c(=O)cc1CN1CCN(CCO)CC1 1870682675 BODXDUBHGANSCP-UHFFFAOYSA-N 464.651 2.224 30 10 JEEE CC(C)(C)OC(=O)N1CCN(Cc2cc(B3OC(C)(C)C(C)(C)O3)cc(N3CCNCC3)c2)CC1 1887505045 XNRGLSYPXOGDEI-UHFFFAOYSA-N 486.466 2.448 30 10 JEEE Cc1ccnc(N2CCN(C(=O)[C@H]3SCC(=O)N(C(C)C)[C@H]3c3ccc(C#N)cc3)CC2)n1 1889546889 AFXMDESWHSTXGM-VXKWHMMOSA-N 464.595 2.399 30 10 JEEE CN[C@@](C#N)(Cn1cnc(I)c1I)C1(Cl)CC1 2025831666 ITHLJBAFAMAGBX-JTQLQIEISA-N 476.487 2.345 30 10 JEEE CN(C(=O)[C@H](CCC(N)=O)NC(=O)OC(C)(C)C)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2206160663 NXGBIOGKDYHRST-KRWDZBQOSA-N 461.368 2.107 30 10 JEEE C[C@H](c1cscc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)[C@@H](CO)NC(=O)OC(C)(C)C 2256624235 LMCXUVBVFKDAKG-CZUORRHYSA-N 454.398 2.452 30 10 JEEE Cc1cc(CNC(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)sc1B1OC(C)(C)C(C)(C)O1 2256680246 TVBYVRAFBPAPDT-OAHLLOKOSA-N 454.398 2.248 30 10 JEEE Cc1nn(C)c(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(C)C)c1B1OC(C)(C)C(C)(C)O1 2267146726 OZXRMAQWOCMKNC-OAHLLOKOSA-N 450.389 2.307 30 10 JEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2267153238 WHYQYETZMXNYBA-UKRRQHHQSA-N 467.397 2.197 30 10 JEEE CO[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)N(C(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C1 2267196572 FYYXVGLIHUZDBC-KBPBESRZSA-N 467.397 2.197 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)[C@@H](CO)C1 2267286581 PKGCREPSMZKOTN-ZBFHGGJFSA-N 466.409 2.395 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2267454323 TYDXDKLQXNWUNW-IAGOWNOFSA-N 450.316 2.147 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](NC(=O)c2occc2B2OC(C)(C)C(C)(C)O2)CCO1 2267490691 RUYSXNGJCOZKSW-LSDHHAIUSA-N 450.341 2.381 30 10 JEEE CCN(CCN(CC)C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2267505006 BANUOOXYJYQAJC-UHFFFAOYSA-N 450.389 2.438 30 10 JEEE CCc1nn(C)c(C(=O)NC[C@@H](CC)NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267505765 NKIDORSHCGLRMZ-CQSZACIVSA-N 450.389 2.315 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1 2267518542 CHGYMSFWOVOYGU-HSZRJFAPSA-N 457.405 2.118 30 10 JEEE Cc1nn(C)c(C(=O)N(C)[C@@H](C)CCNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267523225 YMADDKGHXPEARX-AWEZNQCLSA-N 450.389 2.403 30 10 JEEE CC(C)(C)OC(=O)NCCn1cc(NC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)cn1 2267531473 QITDKNKGJGDAGB-UHFFFAOYSA-N 463.369 2.416 30 10 JEEE C[C@H]1CN(C(=O)OC(C)(C)C)[C@H](C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)CO1 2268635178 OMKOPWHXPFJJEQ-KBPBESRZSA-N 467.397 2.083 30 10 JEEE CN(Cc1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(=O)C1(CO)CN(C(=O)OC(C)(C)C)C1 2268640087 UEWOWKOGPWONHI-UHFFFAOYSA-N 466.409 2.235 30 10 JEEE CC(C)(C)OC(=O)NCCOCCC(=O)N=c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)[nH]1 2268656431 XFEVBWYHNQQZEB-UHFFFAOYSA-N 469.775 2.326 30 10 JEEE CN(Cc1csc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)C1(O)CC(NC(=O)OC(C)(C)C)C1 2268706482 PCZTWVLTVJRKKM-UHFFFAOYSA-N 466.409 2.424 30 10 JEEE CC1(C)OB(c2cnc(NCCn3cnc(I)c3)c(F)c2)OC1(C)C 2268995490 CVNGCYZRKCYFTO-UHFFFAOYSA-N 458.084 2.433 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)c(F)c2)[C@H](O)C1 2281761001 AJNFVBNRGUXMMA-QZTJIDSGSA-N 464.343 2.225 30 10 JEEE Cc1c(C(=O)NC[C@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281800907 ACUJMSPODLFDBK-WNSKOXEYSA-N 460.384 2.015 30 10 JEEE Cn1ncc(C(=O)N[C@H]2C[C@@H]3[C@@H](NC(=O)OC(C)(C)C)C[C@H]3C2)c1B1OC(C)(C)C(C)(C)O1 2281812450 SUYCFPJSVISDKB-AIANPOQGSA-N 460.384 2.141 30 10 JEEE CC[C@]1(CNC(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)CCCN1C(=O)OC(C)(C)C 2281950868 BPYGVYYBDHEFFX-JOCHJYFZSA-N 463.388 2.024 30 10 JEEE C[C@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)C[C@H](C)N(C(=O)OC(C)(C)C)C1 2281977079 KHISOVZFHAWHSM-HOTGVXAUSA-N 462.400 2.437 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2CN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)C[C@H]2C1 2281985362 JFRTVVNROICTHB-ARFHVFGLSA-N 460.384 2.474 30 10 JEEE Cc1nn(C)c(C(=O)NC[C@@H]2[C@@H]3C[C@H]3CN2C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2281987843 DUESFPKKCBGDNZ-ARFHVFGLSA-N 460.384 2.013 30 10 JEEE 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]1C 2282004310 IRZXVAXOEDDUTQ-HOCLYGCPSA-N 462.400 2.403 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@]2(CCCN2C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2282031771 XKTBZRHXLHVGNK-QHCPKHFHSA-N 458.368 2.391 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC2[C@H]3CC[C@H]2CN(C(=O)OC(C)(C)C)C3)n1 2282042805 JCPRVGYIUBWVHT-GJZGRUSLSA-N 460.384 2.095 30 10 JEEE Cc1cccc(C(=O)NCC2(O)CC(NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2282108098 UBURHMBDQVTMRS-UHFFFAOYSA-N 460.380 2.442 30 10 JEEE CC[C@H]1CC[C@@H](NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CN1C(=O)OC(C)(C)C 2282173616 AHFZGZBYLIIEKA-CABCVRRESA-N 463.388 2.022 30 10 JEEE CC[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2282553814 UQWKAZZLQMFQAD-JKSUJKDBSA-N 462.400 2.485 30 10 JEEE CCc1nn(C)c(C(=O)NC[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2282558852 LSKUCMPWWHLVHG-SHTZXODSSA-N 462.400 2.315 30 10 JEEE CC1(C)OB(c2nccnc2C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C(F)F)OC1(C)C 2283061155 LKAVYPSZNZRVIF-DLBZAZTESA-N 458.318 2.271 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2CCO[C@]2(C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2283960623 ZQXWGHHXOUTCHP-IQMFZBJNSA-N 459.352 2.345 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](Cc1ncns1)C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2284039223 JWCXCZSKSFEMER-AWEZNQCLSA-N 475.380 2.307 30 10 JEEE CC(C)(C)OC(=O)NC1CC(O)(C(=O)N2CCc3cc(B4OC(C)(C)C(C)(C)O4)ccc32)C1 2284051047 IJKJDWYKCHJLRQ-UHFFFAOYSA-N 458.364 2.293 30 10 JEEE C=CC1(N[C@]2(C(=O)O)[C@H](NC(=O)OC(C)(C)C)COC2(C)C)CN(C(=O)OC(C)(C)C)C1 2326241771 OGADVBUFSZPFLP-PEBXRYMYSA-N 455.552 2.277 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)n1C 2362483973 WLUNKQZTQHHJSN-MRXNPFEDSA-N 462.400 2.405 30 10 JEEE C[C@@H]1OC2(CNC(=O)OC(C)(C)C)CC1(NC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1)C2 2362562098 MLBQVEOIMAWUHF-MFBUALDNSA-N 479.408 2.387 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H](NC(=O)OC(C)(C)C)C2CCC2)n1C 2362566089 FCOAUHWCQJGYIH-INIZCTEOSA-N 462.400 2.451 30 10 JEEE COC[C@@H](ONC(=O)OC(C)(C)C)C(=O)Nc1ccc(OC)c(B2OC(C)(C)C(C)(C)O2)c1 2365286810 PRCNOOWHTLSQDZ-QGZVFWFLSA-N 466.340 2.404 30 10 JEEE CCOC(=O)C1CCN(c2nc3ccccc3n3c(=O)n(CC(=O)Nc4cccc(C#N)c4)nc23)CC1 35425945 DFQOMMRKAQHDIG-UHFFFAOYSA-N 499.531 2.334 30 10 JEEE C=CCN1C(=O)N[C@@H](c2ccccc2C(F)(F)F)C2=C1CN([C@H](C)C(=O)NCCOC)C2=O 35971473 SNAVZWUQEVYMNK-ACJLOTCBSA-N 466.460 2.205 30 10 JEEE COc1ccc([C@@H]2/C(=C(/O)c3cnc(C)nc3C)C(=O)C(=O)N2CCCN(C)C)cc1OC 102757003 ATEXPXQPPZIGNR-SADKCHQCSA-N 454.527 2.484 30 10 JEEE NC(=NO)c1ccc(Cn2cnc(I)c2I)cc1 382195815 YUMKCXZYAYQTHK-UHFFFAOYSA-N 468.036 2.235 30 10 JEEE C#CCN(C(=O)CSc1nnc(-c2ccc(F)cc2)n1C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 729331951 RZYUWWUHZRFWHZ-OALUTQOASA-N 492.598 2.004 30 10 JEEE CCn1cc(-n2c(=C(C#N)C(=O)Nc3ccc(F)cc3)sc(=Cc3cnn4ccccc34)c2=O)cn1 729672575 VQGPLHUHLVHMFS-UHFFFAOYSA-N 499.531 2.044 30 10 JEEE COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)OC(=O)[C@@H](C)Oc1ccc(C#N)cc1 821043785 BKNSNACJVYLSCZ-LSDHHAIUSA-N 475.523 2.155 30 10 JEEE CCn1cc([C@@H]2C[S@@](=O)CCN2C(=O)COc2ccc(C#N)c(Br)c2)cn1 1156440512 HEGJYSJVNHCGEQ-SOKVYYICSA-N 451.346 2.248 30 10 JEEE C#CC[C@@H](NC(=O)[C@H](Cc1cn(Cc2ccccc2)cn1)NC(=O)OC(C)(C)C)C(=O)OC 1161364497 DMAAQBMVLAGJOE-UXHICEINSA-N 454.527 2.048 30 10 JEEE C=C(Cl)CSc1nc(C)c(CC(=O)N2Cc3nnc(C)n3C[C@@H]2C(=O)N(C)C)s1 1180357321 XLTQKXVTZGFRFW-CYBMUJFWSA-N 455.009 2.238 30 10 JEEE CC(C)(C)OC(=O)NCCC(=O)NC[C@@H]1CCCCN1S(=O)(=O)c1ccc(C#N)s1 1189514821 CEYZMZZNKPRVSH-AWEZNQCLSA-N 456.590 2.194 30 10 JEEE C#CCn1ccc(CN(CC)C(=O)Nc2ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)n1 1197085361 ZAHIQJYZTDJIFT-QZTJIDSGSA-N 459.572 2.368 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](c1cccc(OC)c1)N1CCCC1 1286272339 BFAUBHBLGBAKOZ-BBTUJRGHSA-N 474.631 2.192 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCCOc1ccc(F)cc1 1286295642 JYMARRQCNYEXAO-YLJYHZDGSA-N 479.578 2.067 30 10 JEEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CCN2[C@H](C)CC[C@H]2C)CC1 1286311965 PFTYGYPGUGURAU-FGZHOGPDSA-N 455.651 2.312 30 10 JEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCCn2ccnc21 1286377087 RQZHRUAACGJHRW-ROUUACIJSA-N 455.563 2.430 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1Cc1c(C)nn(C)c1C)[C@H]1CCS(=O)(=O)C1 1286388504 QIEYJZRVEULYCR-KRWDZBQOSA-N 473.990 2.019 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1cc(Cl)c(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1286390569 AXSAUIJAMBKPSM-IAGOWNOFSA-N 495.001 2.128 30 10 JEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCC[C@]2(CCOC2)O1 1286415068 GWSGHFUUJSKTRB-WZONZLPQSA-N 453.568 2.071 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccc(OC)c(OC(F)F)c2)CC1 1286472572 JPRUVOMZUAISID-DEOSSOPVSA-N 491.539 2.344 30 10 JEEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1286498911 BSONLFNDCNOWJD-WZONZLPQSA-N 490.651 2.489 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C(=O)OC)CC1 1286548560 TUXMEDIHXWRERP-IEBWSBKVSA-N 454.531 2.296 30 10 JEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc(OCC)n2)CC1 1286832800 ZEEWPEFDGHCTMV-SFHVURJKSA-N 492.671 2.220 30 10 JEEE CCOCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1297010234 BWHMXAUBQGZOKI-UHFFFAOYSA-N 466.590 2.056 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1Cc1ccc(OC)cc1F)[C@H]1CCS(=O)(=O)C1 1300479349 MCTXRTFJVZZQRU-SFHVURJKSA-N 491.589 2.019 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1CCc1cnc2c(Cl)cnn2c1)[C@@H]1CCS(=O)(=O)C1 1300497764 DDOBRGWGVJQGEO-QGZVFWFLSA-N 476.006 2.042 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@](O)(c1ccccc1)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1300506593 VVJYQRDGTKTXIM-WAOWUJCRSA-N 498.527 2.206 30 10 JEEE C=CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1301219128 ZKJKXFDHMGOTCO-KRWDZBQOSA-N 485.614 2.111 30 10 JEEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H](C)CN1CCOCC1 1301270855 MLUZVUGJMKFAFE-QGZVFWFLSA-N 461.636 2.137 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2cc(F)cc(F)c2)C1 1301539736 WEPVFOMGYCFTCK-KDOFPFPSSA-N 455.531 2.191 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)CCC(F)(F)F 1301588927 LYKVVSSREIPFNS-UHFFFAOYSA-N 487.552 2.442 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)C[C@H]1CCOC1 1301589178 OQUMIWXSRPPONR-MOPGFXCFSA-N 497.662 2.466 30 10 JEEE CC(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CN(CC(C)C)CCO2)CC1 1301695658 CTWQYSYCEDFXHE-HSZRJFAPSA-N 465.602 2.232 30 10 JEEE CCS(=O)(=O)C[C@@H](C)N(C)CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 1307474570 DUUHWMYOZXYGCS-SJORKVTESA-N 450.605 2.111 30 10 JEEE CCCNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2CCS(=O)(=O)CC2)C1 1313463839 AQGIDHCNVGPYNA-NRFANRHFSA-N 484.626 2.384 30 10 JEEE CNC(=O)C(C)(C)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC(C#N)CC1 1314944403 DONUXEPEDFKRPU-UHFFFAOYSA-N 478.645 2.155 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1Cc1cnccc1OC)[C@H]1CCS(=O)(=O)C1 1358966128 IHHYXRGAPNNPJM-FQEVSTJZSA-N 481.578 2.244 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1C[C@H](c1ccc(C)cc1)N1CCOCC1 1359022622 GYCKRMMWCGZADK-HSZRJFAPSA-N 461.570 2.203 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCOC3)n2C[C@@H]2CSCCS2)n1 1359028482 UDTCOODNIIDYMW-PKOBYXMFSA-N 462.645 2.113 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@]2(OC)CCOC2)CC1 1359032958 KQUNCOQOUJYBJO-RUZDIDTESA-N 469.586 2.302 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2CC2(C(N)=O)CCCC2)CC1 1359046965 MDLGUPBUOOFGSU-UHFFFAOYSA-N 462.598 2.075 30 10 JEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 1359227925 PSGZCZNQPAXQLE-QZTJIDSGSA-N 483.635 2.266 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2OCC)nnc1N1CCO[C@H](C(F)(F)F)C1 1359305282 YIULXCQDBHLAMJ-KRWDZBQOSA-N 469.464 2.326 30 10 JEEE C#CCN(C(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1)[C@@H]1CCCc2ccccc21 1456264972 DMXVZJRLUOMLEO-XMSQKQJNSA-N 451.548 2.226 30 10 JEEE COC(=O)[C@@H](NCC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)c1ccc(F)c(C)c1 1473356770 IFEPKWVEEIUHFJ-GMAHTHKFSA-N 456.493 2.486 30 10 JEEE Cc1ncc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)s1 1492695438 BJIOMUMHSKGHNV-KRWDZBQOSA-N 471.612 2.500 30 10 JEEE CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnn(CC)c2)CC1 1496306812 HRRHUNYONKQHMH-LJQANCHMSA-N 475.601 2.118 30 10 JEEE C#CCN(c1nnc(-c2cc3ccccc3o2)n1CC[S@](=O)CC)[C@H]1CCS(=O)(=O)C1 1507630013 YELHPTHIMXRWIE-NOVUIFNWSA-N 460.581 2.087 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@@H]1CCOC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1507641240 ZUUGJYIYSPZYKR-GBESFXJTSA-N 476.574 2.296 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCCN2C[C@@H](C)O[C@H](C)C2)CC1 1507719056 XSGAHVPSXJAZRL-NHCUHLMSSA-N 482.629 2.217 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2Cc2cccc(C(=O)NC)c2)CC1 1507734146 HNEWPDUSTORIDU-UHFFFAOYSA-N 460.538 2.220 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2C/C=C/CC)CC1 1507737888 GSODBIKMDBUZBJ-AATRIKPKSA-N 469.615 2.170 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(CC(N)=O)CC1 1507793688 BKKZXVZNPYEDNH-UGKGYDQZSA-N 487.626 2.422 30 10 JEEE C=C(C)COCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCCN(S(C)(=O)=O)CC1 1507839736 UZZURXCRQSOXBQ-UHFFFAOYSA-N 485.614 2.400 30 10 JEEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1507936135 YLNGGNSEESDNKX-INIZCTEOSA-N 477.553 2.431 30 10 JEEE C=CCCOCCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1507958095 OOEAWKYSTUWCMG-HXUWFJFHSA-N 463.380 2.355 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Br)cc2)nnc1N1CCN(CCOC)CC1 1508133342 HJICRBJBALAQGG-UHFFFAOYSA-N 498.447 2.077 30 10 JEEE C[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(C)(C)C)CC1)N1CCOCC1 1510027443 ALCVWOYNYSFHSO-IBGZPJMESA-N 465.602 2.232 30 10 JEEE C[C@@]1(C#N)CCCN(c2nnc(CCc3ccccc3)n2CC2(O)CCS(=O)(=O)CC2)C1 1510289905 FYGKWZTZMOIRPL-QFIPXVFZSA-N 457.600 2.133 30 10 JEEE CC(C)(C)OC(=O)N1CCC(c2nnc(N3CCC[C@](C)(C#N)C3)n2CCNS(C)(=O)=O)CC1 1510290056 GDBDWRROHIVAEC-JOCHJYFZSA-N 495.650 2.072 30 10 JEEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1539097917 ZIYMJIZSZCLQMK-UHFFFAOYSA-N 474.407 2.194 30 10 JEEE C#CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1539104911 SZINKTWZLVAYQS-CVDCTZTESA-N 480.613 2.365 30 10 JEEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1CCCN1CCN(c2ccccc2)CC1 1539155179 UKHOVEQQYWTWPK-RUZDIDTESA-N 452.603 2.212 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H](OC)c1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 1539200819 PDLZJRKWYVPDFN-OALUTQOASA-N 494.017 2.084 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1CCn1cc(Cl)cn1)[C@H]1CCS(=O)(=O)C1 1539226067 UEQHPMWPYIXIRS-KRWDZBQOSA-N 465.004 2.107 30 10 JEEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1CC1(SC)CCC1)[C@H]1CCS(=O)(=O)C1 1539230513 NKBCYIGENPLIKH-INIZCTEOSA-N 493.680 2.182 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1CC[C@@](C)(O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1539230685 KASHTUDSDDCXSM-MIZPHKNDSA-N 458.584 2.054 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1CC(O)(CC)CC)[C@@H]1CCS(=O)(=O)C1 1539230752 QCCYADCAAJLRAG-LJQANCHMSA-N 460.600 2.343 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1ccnc(OCC(F)(F)F)c1 1539250396 MXIPJKRODFXSFD-UHFFFAOYSA-N 493.453 2.378 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccco1)N1CCCC1 1539322930 AUDLYALNMKRFBP-PMACEKPBSA-N 455.584 2.073 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc4c(s3)CCCCC4)n2CCOCCS(C)(=O)=O)CC1 1539438514 ZQUMLRSJCLVFJZ-UHFFFAOYSA-N 491.683 2.092 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CCOc2cccc(C(F)(F)F)n2)CC1 1539489986 PYRKKKMPHFVQSH-UHFFFAOYSA-N 480.491 2.273 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(CC(=O)N(C)C)CC1 1539645249 MCWAVGOGDLLPBT-YXPKMTABSA-N 488.677 2.388 30 10 JEEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1539729454 PZPBNGUUQYWSGD-PKOBYXMFSA-N 464.588 2.181 30 10 JEEE C=C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCCn2cc(CO)nn2)CC1 1539830163 PIQRFSVSGUVQSI-UHFFFAOYSA-N 450.547 2.478 30 10 JEEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1539986474 ZTPXYQVMZWQAPG-UHFFFAOYSA-N 495.609 2.135 30 10 JEEE C=CCCOCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1540028129 JOWAVAFMIZRGBA-UHFFFAOYSA-N 494.604 2.144 30 10 JEEE C=CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1CC(=O)NCC(F)(F)F 1540193890 DGTKCSYBFYFBKD-UHFFFAOYSA-N 455.437 2.034 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2ccc3[nH]ccc3c2)C1 1540884865 WJSYWRUBMIPGFG-VQIMIIECSA-N 458.588 2.394 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccn3C)n2CC[C@@H](C(F)F)N2CCOCC2)C1 1540888756 XRVJCVMNGAPVQI-ROUUACIJSA-N 450.534 2.421 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCN(c3cccs3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1540908402 GHSYHTVOYUAYJL-QFIPXVFZSA-N 495.671 2.308 30 10 JEEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCCN(Cc2nc([C@H](C)OC)no2)CC1 1587697259 LOGSOGDWUGULCZ-IBGZPJMESA-N 484.605 2.120 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@](C)(O)CCOC)[C@@H]1CCS(=O)(=O)C1 1588041333 WHNBYQWOSMYKTK-VGSWGCGISA-N 497.017 2.021 30 10 JEEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1C[C@](C)(O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1588069858 UHVIKUCJOYSZLO-GCJKJVERSA-N 479.002 2.298 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H](c1c(F)cccc1F)N(C)C)[C@H]1CCS(=O)(=O)C1 1588073752 DBTUBKDUCMGXLN-FFZOFVMBSA-N 493.580 2.337 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2CC2(O)CCN(C(C)C)CC2)CC1 1588899571 SBBYSTGIHDLHCC-UHFFFAOYSA-N 494.640 2.155 30 10 JEEE C=C(Br)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCc2nn(C)c(=O)cc2C1 1589316404 BIUYRFWXVUTNIY-UHFFFAOYSA-N 472.303 2.418 30 10 JEEE C=CCN(CCOC)c1nnc(-c2cccc3cccnc23)n1CCN1CCN(C(C)=O)CC1 1595282998 LYNZTVRMEMFDNI-UHFFFAOYSA-N 463.586 2.296 30 10 JEEE C=CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1595399015 PAWFGRSXDXXXPD-IBGZPJMESA-N 496.616 2.399 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H](C(=O)NC)C1 1595760771 SHKATKSMXOOIGC-IRXDYDNUSA-N 479.578 2.120 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 1595812251 PZRRSPQAIJQNEA-UHFFFAOYSA-N 490.630 2.358 30 10 JEEE COC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CN(CC(C)C)CCO2)CCO1 1619736692 HBIXQLSVHDYWIV-FCHUYYIVSA-N 454.575 2.025 30 10 JEEE CC(C)NS(=O)(=O)c1cc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)ccc1F 1633662106 FIVHATRIMAXHJE-HOCLYGCPSA-N 454.524 2.001 30 10 JEEE CC(C)[C@@H](CCN(C)C(=O)C/N=C1/NS(=O)(=O)c2ccccc21)NC(=O)OC(C)(C)C 1634670053 AOHWQRFCWYRKRS-MRXNPFEDSA-N 452.577 2.123 30 10 JEEE C#CCNS(=O)(=O)N1CCN(C(=O)CCc2c(-c3ccccc3)[nH]c3ccccc23)CC1 1643372739 ZHWIHPPROOINKO-UHFFFAOYSA-N 450.564 2.379 30 10 JEEE N#Cc1ccc(F)c(CS(=O)(=O)N2CCNC(=O)[C@H]2c2ccccc2Br)c1 1662609636 DWWLJYDFWHJHGJ-QGZVFWFLSA-N 452.305 2.463 30 10 JEEE COc1ccc(N2C[C@@H](NS(=O)(=O)c3ccc(C#N)c(Br)c3)CC2=O)cc1 1670280121 GVOTTXFKLPHATA-ZDUSSCGKSA-N 450.314 2.413 30 10 JEEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCN1CCCO[C@H](C)C1 1690072868 XGZJNBUKAVCHMG-LJQANCHMSA-N 473.647 2.199 30 10 JEEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CCCNC(=O)OC(C)(C)C)CC1 1690128532 FHWWWOLINYTNGS-UHFFFAOYSA-N 459.620 2.304 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](c2cccs2)N(C)C)CC1 1690145998 CSTUNFXAQKFXKG-MOPGFXCFSA-N 456.616 2.112 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(C)C(=O)C1 1690235828 FENWMIPRNGNAGH-YLJYHZDGSA-N 472.977 2.121 30 10 JEEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1690437925 UIBPGNXSTPCPGR-GOSISDBHSA-N 466.652 2.111 30 10 JEEE C=CCCOCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCc2nn(C)c(=O)cc2C1 1690500394 UGEBMDKEDLWXKS-UHFFFAOYSA-N 451.487 2.102 30 10 JEEE C=CCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1690648186 NBHOUFYPYBGZFY-IBGZPJMESA-N 491.562 2.334 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCN(CCN2[C@@H](C)CC[C@H]2C)CC1 1690672780 CVXPNHLSIMSIRQ-OYRHEFFESA-N 483.636 2.305 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@]2(O)CCN(C)C2)C1 1690700681 WBJXSNIMUCGKCV-FHAGJXEFSA-N 490.649 2.241 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C2CC2)C(=O)C1 1690715016 BACIQZFZBWUNIL-IBGZPJMESA-N 487.626 2.447 30 10 JEEE C=CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCNC(=O)[C@@H]1CC 1690743798 FTKLRSAQDBCCNY-SFHVURJKSA-N 456.620 2.086 30 10 JEEE CCCC(=O)NC[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC2CC2)C1 1695030397 CACUALHXRSLOOC-FQEVSTJZSA-N 463.586 2.476 30 10 JEEE COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCN2CCCCCC2=O)cc1OC 1697380985 ASZDWRTZMXWLIF-IBGZPJMESA-N 468.558 2.484 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(OCCN2CCCC2)cc1 1705476267 VBDYJTPUUCWBHJ-FQEVSTJZSA-N 450.587 2.495 30 10 JEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCc1ccc(Cl)s1)[C@@H]1CCS(=O)(=O)C1 1705558624 CXOLXPXATJREJN-OAHLLOKOSA-N 482.031 2.098 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(OC)cc1OC 1705661554 DZKPOVVWUHANCW-KRWDZBQOSA-N 464.613 2.200 30 10 JEEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@](O)(c1ccccc1)C(F)(F)F)C1CC1 1705849417 MAWRGXFRSUTPLK-AUUYWEPGSA-N 473.521 2.493 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCO1 1705864801 NAMLJESCKBSXJS-ICSRJNTNSA-N 479.578 2.122 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2(S(C)(=O)=O)CCCC2)C1 1705914042 FGDPIOGMLVRNFZ-KRWDZBQOSA-N 474.587 2.064 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2c[nH]c3ccccc23)C1 1705917555 XJUSPRZUSFYSBH-SJLPKXTDSA-N 458.588 2.394 30 10 JEEE C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCNS(=O)(=O)Cc2ccon2)[C@@H]1C 1708133555 BMOJOFXDODPPJY-IAGOWNOFSA-N 485.570 2.071 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1722302596 JPBYRONCOUUXIZ-XZHYIPMRSA-N 483.573 2.334 30 10 JEEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(CCOC)[C@@H](CC)C1 1722330434 SZGGGJPCGKJZPV-IBGZPJMESA-N 473.647 2.199 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CC(=O)NC1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1722359085 IIRJEGJMDJESBR-HXUWFJFHSA-N 485.610 2.029 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(OCC)cc3)n2CCN2CCOC[C@@H]2C)CC1 1722432185 WFPKSCAYOXJAGM-FCHUYYIVSA-N 482.629 2.293 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2CCN2CCCC2)CC1 1722449844 QXKBHJMSCCEPAJ-UHFFFAOYSA-N 450.587 2.227 30 10 JEEE C=CCOc1ccc(Cn2c(Cc3ccncc3)nnc2N2C[C@@H](O)[C@H](CC(=O)OC)C2)cc1 1722704587 LBDLBGRQFZLAOD-IFMALSPDSA-N 463.538 2.237 30 10 JEEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCCN(C(=O)c2cccc(Cl)c2)CC1 1722705439 DCSWXYLZRQOPTQ-UHFFFAOYSA-N 460.966 2.123 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCN2CCOC[C@@H]2C1 1722723979 JYCUPUVLRDDOOA-RTWAWAEBSA-N 489.642 2.157 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl 1722728500 WBZSYWKINCSOOM-PBHICJAKSA-N 457.387 2.356 30 10 JEEE CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@@H](C)N2CCCCC2)CCO1 1722841063 BGKHHFNAKHMLLG-AUSIDOKSSA-N 465.602 2.423 30 10 JEEE CCOc1c(OC)cc(Cn2c(Cc3ccccn3)nnc2N2CCO[C@H](C#N)C2)cc1OC 1728835624 DNBFUQUETNFEQC-LJQANCHMSA-N 464.526 2.457 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCO[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1740620822 RRXAKXWNDXQSPB-NUJGCVRESA-N 463.991 2.435 30 10 JEEE C#CCN(c1nnc(CN2CCCC2=O)n1CC(C)(C)c1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1740624587 KCFAYTSQGRLSGU-HXUWFJFHSA-N 499.637 2.014 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccccc2F)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1740634918 IBHAMXMPYGWZCR-RXVVDRJESA-N 455.559 2.361 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1C[C@H](C)N1CCN(c2ccccc2)CC1 1740644382 DGEMZGFMVOKHKM-QHCPKHFHSA-N 473.625 2.188 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1OCCC1(C)C 1740685260 DCWPQLSGIWMXSD-RTBURBONSA-N 477.606 2.488 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2Cc2c(C)nn(C)c2C)CC1 1740706884 HEHRIUJLQYJQHC-UHFFFAOYSA-N 463.561 2.372 30 10 JEEE C#CCSCCn1c(COc2ccccc2OC)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1740722432 IZFNLIFRVQZHGZ-QFIPXVFZSA-N 476.624 2.247 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(N)=O)C1 1740764107 UOTPUKWZPZOGRT-KNKQGSTJSA-N 450.543 2.412 30 10 JEEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C(=O)C(C)C)CC1 1740870654 RXOVTLQWRGLGMN-UHFFFAOYSA-N 474.631 2.466 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCN(C)C(=O)OC(C)(C)C)C1CC1 1740911185 XKFWGCDVWRDBBS-SFHVURJKSA-N 498.650 2.023 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1740964522 DOJICHDTDBBVTO-DEOSSOPVSA-N 470.643 2.482 30 10 JEEE C#CCCCn1c(C2CCCC2)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1748751239 UTXMNACPTHCMCF-QRVBRYPASA-N 477.631 2.476 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCN1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1748810161 ZQQUCIIPDHKAHS-PZJWPPBQSA-N 471.627 2.312 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1Cc1cc2c(cc1OC)C[C@H](C)O2)[C@@H]1CCS(=O)(=O)C1 1748817196 GMLXHHRKMBDPOU-FXAWDEMLSA-N 472.611 2.484 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@@H](CCC)OC)[C@@H]1CCS(=O)(=O)C1 1748819689 RPCNYHBFYJSWRT-QZTJIDSGSA-N 451.618 2.076 30 10 JEEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1CC1(CCC)CC1)[C@H]1CCS(=O)(=O)C1 1748821704 SYPQNUBJTMLMNN-KRWDZBQOSA-N 475.640 2.477 30 10 JEEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2CC2(COC)CCOCC2)CC1 1748994993 VMDFFMVNUNLVPH-UHFFFAOYSA-N 467.614 2.270 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2cn(CCCC)nc2C)CC1 1749010779 XCILPLRBVADYFT-OAQYLSRUSA-N 467.618 2.491 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2cc(F)ccc2OC)CC1 1749226568 SQQSMCBSIBCAKS-FQEVSTJZSA-N 472.565 2.292 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CN2CCCC2=O)n1C[C@H](C)N1CCOCC1 1749536506 MYTCIEQFIBZGIU-FQEVSTJZSA-N 463.586 2.185 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1749736955 USTOQFXXUCIBFW-NHCUHLMSSA-N 460.600 2.162 30 10 JEEE Cc1cc([C@](C)(O)Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@H](S(C)(=O)=O)C2)c(C)o1 1751386053 CJYZQPCDJZBJIC-GBXCKJPGSA-N 499.593 2.470 30 10 JEEE Cc1ccc(SCc2nnc(N3CCO[C@@H](C#N)C3)n2CCS(=O)(=O)CC2CC2)cc1 1751587470 BIHJKRGKXVZMEF-SFHVURJKSA-N 461.613 2.432 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1CCN(C(C)=O)CC1 1760219317 AUGUANUZQGXETH-JOCHJYFZSA-N 498.628 2.308 30 10 JEEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCc1cnn(C)c1 1760226797 ZFPKLZXYUWMSHA-UHFFFAOYSA-N 454.604 2.372 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2=CCCOC2)CC1 1760270986 HJUYYBLVDIWUGT-UHFFFAOYSA-N 460.538 2.041 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C(N)=O)CC1 1760324582 LFLJJRQOZUHSIX-UGKGYDQZSA-N 450.543 2.412 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 1760520988 GRTRNSXCRHLKEC-QGZVFWFLSA-N 452.519 2.035 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1760529166 YGWOPBOMCNKYRL-QWFCFKBJSA-N 460.623 2.242 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCc2ccccc2)C1 1760543674 RAWFSRBAHQWMJP-SFTDATJTSA-N 475.615 2.025 30 10 JEEE N#Cc1cccc(-c2nnc(N3CCSC4(CCOCC4)C3)n2CC(=O)NCC(F)F)c1 1770735005 AWZGBJPHVRCFHU-UHFFFAOYSA-N 462.526 2.300 30 10 JEEE COCC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1770978155 GTVSGECTGLJHOV-RUZDIDTESA-N 476.585 2.338 30 10 JEEE CCCC[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1)C(=O)Nc1ccccc1C#N 1866592613 HHFFLSSPOVIJKY-HSZRJFAPSA-N 497.621 2.422 30 10 JEEE CC(C)c1ccccc1-n1nnc(C#N)c1NC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 1870155237 CTIPXQAPFLROKX-UHFFFAOYSA-N 459.422 2.405 30 10 JEEE C=CCn1cc(OCC(=O)OCCOCC)c(=O)cc1CN1CCN(c2ccc(F)cc2)CC1 1870670577 CNKLJJFUZCXEMA-UHFFFAOYSA-N 473.545 2.454 30 10 JEEE CCOc1ccc(/C=N/Nc2cnn([C@H]3CCS(=O)(=O)C3)c(=O)c2Br)cc1 1873527428 YZGFBFMKPSDGRU-PFHXIJNMSA-N 455.334 2.210 30 10 JEEE C=CCNC(=O)c1cc2c(N3CCN(Cc4ccc5c(c4)OCO5)CC3)ncnc2n1CCCOC 1873586612 FJXGWIKOPSVUST-UHFFFAOYSA-N 492.580 2.435 30 10 JEEE C=CCn1c(C(=O)NC[C@@H](c2ccc(O)cc2)N(C)C)cc2c(N(CC)CCO)ncnc21 1873595736 PHFUMVILQVIZOF-NRFANRHFSA-N 452.559 2.174 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](O)C[C@@H]1C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2185152258 VIEVQRZDZRGQPZ-RTBURBONSA-N 460.380 2.362 30 10 JEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CCNc2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2241120750 GHYROBNWQRMIPN-MRXNPFEDSA-N 481.424 2.217 30 10 JEEE CC(C)(C)OC(=O)NCCCONS(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2255751612 CKYLCCVAAJZUDW-UHFFFAOYSA-N 456.370 2.111 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)s1 2256614004 LDYZACLOJJVSIC-HNNXBMFYSA-N 452.382 2.299 30 10 JEEE C[C@H]1CCC[C@]1(NC(=O)OC(C)(C)C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2256676778 ZWMUSMVSORUWCK-FKIZINRSSA-N 452.386 2.281 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCc1c[nH][nH]c1=NC(=O)OC(C)(C)C 2267129607 CXNVWIHLTBHNBO-UHFFFAOYSA-N 463.369 2.173 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C[C@@H]1CCO 2267135856 BNSZCNXXTNJMFB-INIZCTEOSA-N 466.409 2.491 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCCN(S(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267379039 PPTIWQUUZDRBFX-INIZCTEOSA-N 467.397 2.059 30 10 JEEE COCC[C@@H](CNC(=O)c1c(C)nsc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2267527253 DPPMBCNXYZJKFT-AWEZNQCLSA-N 469.413 2.410 30 10 JEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](CNc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)[C@H]1OC 2280770434 UKSQGIDAUPMQER-ZHALLVOQSA-N 463.384 2.442 30 10 JEEE CC(C)(C)OC(=O)NCC1(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cn2C2CC2)COC1 2281823465 YSNCRIUOAZRIPH-UHFFFAOYSA-N 461.368 2.146 30 10 JEEE Cn1nc(C(=O)N(CC2CC2)C2CN(C(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2281963243 JLWOOCSVOQJCSB-UHFFFAOYSA-N 460.384 2.191 30 10 JEEE Cn1cc(C(=O)NCc2ccc(NC(=O)OC(C)(C)C)nc2)c(B2OC(C)(C)C(C)(C)O2)n1 2281968607 FFWWRSMHRDPFSX-UHFFFAOYSA-N 457.340 2.391 30 10 JEEE CC(C)(C)OC(=O)N1CCCN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CC(F)(F)C1 2281977034 JSHBXVDIIPLOMB-UHFFFAOYSA-N 470.326 2.427 30 10 JEEE C[C@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)[C@H](CNC(=O)OC(C)(C)C)C1 2281981454 NRKSWZPRASDCFY-HOTGVXAUSA-N 462.400 2.485 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)[C@]2(CCOC2)C1 2282005583 QETIQWOASIMVET-JLCFBVMHSA-N 479.408 2.341 30 10 JEEE Cn1cc(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]23)n1 2282040966 QBRTZUXHSYDSGY-DJIMGWMZSA-N 460.384 2.237 30 10 JEEE Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC1(CO)CN(C(=O)OC(C)(C)C)C1 2282121350 RFXCZWPHXVXFQP-UHFFFAOYSA-N 460.380 2.253 30 10 JEEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)[C@@H](C#N)C1 2282351250 YGHDNLHGZALDEP-KRWDZBQOSA-N 477.392 2.119 30 10 JEEE CC(C)(C)OC(=O)N1CCC2(C1)CN(S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1)C2 2282488051 AGFPDFQMHJVDPA-UHFFFAOYSA-N 499.464 2.215 30 10 JEEE CC(C)(C)OC(=O)N1CC(F)(CNS(=O)(=O)Cc2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282495669 PMTNPJFBZHEJFV-UHFFFAOYSA-N 484.399 2.364 30 10 JEEE CN([C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282504592 RCXYEFZTKRNCQS-FOLVSLTJSA-N 499.464 2.069 30 10 JEEE C[C@@H]1CCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)C[C@H]1CNC(=O)OC(C)(C)C 2282534202 ROOLOMZZHHJDKR-HZPDHXFCSA-N 462.400 2.342 30 10 JEEE Cn1ncc(C(=O)N2CC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)c1B1OC(C)(C)C(C)(C)O1 2282569194 NYWVHACLZHJAQJ-QHCPKHFHSA-N 460.384 2.192 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)OC(C)(C)C 2282593703 UNXQPVNNDYTISS-OIISXLGYSA-N 460.384 2.330 30 10 JEEE CC(C)(C)OC(=O)N[C@]12C[C@H]1CN(S(=O)(=O)c1ccc(F)cc1B1OC(C)(C)C(C)(C)O1)C2 2282846699 NGXHBXBYRXMOEZ-FPTDNZKUSA-N 482.383 2.413 30 10 JEEE COC(=O)[C@H](CNC(=O)OC(C)(C)C)Oc1ccc([N+](=O)[O-])c(B2OC(C)(C)C(C)(C)O2)c1 2283004245 UHWDCODIAGDJSQ-INIZCTEOSA-N 466.296 2.339 30 10 JEEE CCn1cc(C(=O)N2C[C@@H]3C[C@@]3(CNC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2288262179 YOQLYVGFMHRSOH-NPMXOYFQSA-N 460.384 2.189 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC(F)(F)C[C@H]1CNC(=O)OC(C)(C)C 2296412750 CXSUDYMXMIFAEP-ZDUSSCGKSA-N 470.326 2.094 30 10 JEEE CO[C@H]1C[C@@H](CN=c2cc(B3OC(C)(C)C(C)(C)O3)c(F)c[nH]2)N(C(=O)OC(C)(C)C)C1 2345716282 XNFGWOJLCULSKZ-GJZGRUSLSA-N 451.348 2.378 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C(F)(F)F)n1C 2362341138 RDNFVUUYYDRWQU-LBPRGKRZSA-N 476.305 2.213 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCCOC2CN(C(=O)OC(C)(C)C)C2)n1 2362400285 JMTRRKJDMZGJRD-UHFFFAOYSA-N 461.368 2.055 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@]2(C1)C[C@](C(=O)O)(N1CCN(Cc3ccccc3)[C@H](C#N)C1)CO2 2373505740 VEUBZVAJJWZWII-ZPZUNKDASA-N 470.570 2.320 30 10 JEEE COc1ccc(OC)c(CCNC(=O)c2cccc(/N=C3\N[C@@H]4CS(=O)(=O)C[C@H]4S3)c2)c1 9530074 MHJSWNBUEOIGBM-UYAOXDASSA-N 475.592 2.166 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)NCc3ccc(CS(=O)(=O)NC(C)C)cc3)cc2C1=O 10639337 AQFHWDSSBKEQHB-UHFFFAOYSA-N 455.536 2.226 30 10 JEEE CN(C)CCN1C(=O)C(=O)/C(=C(\O)c2ccc3c(c2)OCCO3)[C@H]1c1ccc([N+](=O)[O-])cc1 102705740 XTZIBCOYEGJUAT-GOBJLOIFSA-N 453.451 2.349 30 10 JEEE CC(C)(C)OC(=O)N1CCCC[C@H]1CS(=O)(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 208066422 PEROGJPZAFKMDZ-INIZCTEOSA-N 467.397 2.339 30 10 JEEE CCOc1ccc(/C=C/C(=O)[C@@H]2CNCC[C@@H]2NC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)cc1 585831554 VINNHEZUQXLIFA-YRJJFTRFSA-N 475.545 2.447 30 10 JEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(Br)c2)c(=O)n1-c1ccccc1C#N 604001446 FMROCOSDAQLYFC-UHFFFAOYSA-N 491.370 2.338 30 10 JEEE C=CCNC(=O)CN1CCN(C(=O)C2CCN(C(=O)c3ccc(OC)c4ccccc34)CC2)CC1 680516353 BJKZYVNFGBSZPR-UHFFFAOYSA-N 478.593 2.147 30 10 JEEE O=C(C#CCNC(=O)OCC1c2ccccc2-c2ccccc21)N[C@H](Cc1cnc[nH]1)C(=O)O 757470870 KZHUIVRPZVSHTL-JOCHJYFZSA-N 458.474 2.064 30 10 JEEE C=CCN(C(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)[C@@H]1CCS(=O)(=O)C1 1125953908 LXVQVJVPLUTMJR-CYBMUJFWSA-N 454.460 2.186 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2nc3ccccc3n2-c2ccn(C)n2)s1 1169189986 PWSDDMVBCYVQEE-UHFFFAOYSA-N 456.553 2.466 30 10 JEEE N#C[C@H]1CN(S(=O)(=O)N2CCN(Cc3ccc(-c4ccccc4F)s3)CC2)CCO1 1184900657 FSAMKJXELWPPBH-INIZCTEOSA-N 450.561 2.141 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](CC=C)c1ccccc1 1286294618 DYPVQYXDSOQRPO-TYPHKJRUSA-N 457.600 2.429 30 10 JEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(CN(C)C(=O)OC(C)(C)C)CC1 1286344019 XVJZEXYGJSZDDB-QGZVFWFLSA-N 482.651 2.385 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@@](C)(O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1286391098 GBTASSCEQVYXHC-NZQKXSOJSA-N 485.635 2.168 30 10 JEEE C#CCN(CC#C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCS(=O)(=O)N1CCSCC1 1286399644 KWUBNPFJZJFWED-SFHVURJKSA-N 491.614 2.009 30 10 JEEE C#CCN(CCOC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCNC(=O)C(C)C 1286466931 LVMGVGZPNKPTMN-UHFFFAOYSA-N 476.622 2.251 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2ccc(N3CCC(C)CC3)nc2)CC1 1286472858 WFJBXXKSTPIIDZ-JOCHJYFZSA-N 481.645 2.437 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC(=O)NCCC)CC1 1286491133 GMYJSNPACXGRMN-UHFFFAOYSA-N 456.978 2.014 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(F)c(COC)c2)CC1 1286492454 FXFMPOUCCCTCEE-HXUWFJFHSA-N 469.561 2.472 30 10 JEEE C#CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@@](C)(C(=O)NC)C1 1286504633 OVDGZMODWYRXRO-XMMPIXPASA-N 479.610 2.004 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1286563441 CVXZWYSRAIOQAA-GHTZIAJQSA-N 454.579 2.036 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CCNS(C)(=O)=O 1286564676 WXEBBOLXJXDDOC-ZSYWTGECSA-N 469.652 2.163 30 10 JEEE C=C(C)COCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1286604308 HYAXJXUTHPWHAS-UHFFFAOYSA-N 484.557 2.076 30 10 JEEE C=CCC(C)(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1286668504 ROZAOXDLVKZDEU-SFHVURJKSA-N 495.671 2.421 30 10 JEEE C=CCC(C)(C)Cn1c(Cc2cccnc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1286672941 LDTRKWWZNLRBNX-UHFFFAOYSA-N 453.591 2.039 30 10 JEEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(c3ccccn3)CC2)cc1 1286794731 PGEGPSHCOMEGGJ-IBGZPJMESA-N 497.625 2.223 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1286824046 UIVKOCVTMZVUIG-QFIPXVFZSA-N 464.636 2.382 30 10 JEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1286832610 LYDKZOCATASLKZ-IBGZPJMESA-N 481.688 2.328 30 10 JEEE CCOCc1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@H](C)CN1CCN(CC)CC1 1297278843 HLMZMJFAIIZECH-JOCHJYFZSA-N 480.661 2.286 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCC(=O)NC2CC2)CC1 1300733143 SKTCOZAKMWOJMZ-IFMALSPDSA-N 484.645 2.221 30 10 JEEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1300862632 BLEBQBAFPAIKIR-GOEBONIOSA-N 459.352 2.415 30 10 JEEE C=C(C)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(S(C)(=O)=O)CC1 1300950899 QYJRFCYTIIBWKU-KRWDZBQOSA-N 468.624 2.050 30 10 JEEE C[C@@H]1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)[C@H](CNC(=O)OC(C)(C)C)C1 1300968856 BDBBVANKLDCQMU-NUJGCVRESA-N 464.588 2.377 30 10 JEEE C=C(C)COCCn1c(N2CC[C@@]3(CNC(=O)C3)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1301001069 BTRKOUWFDVRREB-NXMSCROESA-N 474.606 2.358 30 10 JEEE C=C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2cccc(S(=O)(=O)NC)c2)CC1 1301069851 GNSLEEQVNFYGMO-QHCPKHFHSA-N 475.615 2.432 30 10 JEEE C=CCCOCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1301239665 QGVSDCPRMMHEQO-UHFFFAOYSA-N 497.987 2.111 30 10 JEEE C=CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CCC[C@@H]1NC(=O)NC1=O 1301281582 QYUUKBNWALGTMB-AWEZNQCLSA-N 463.336 2.327 30 10 JEEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1301459141 RTWBNOMVWGLRPX-BRWVUGGUSA-N 453.609 2.496 30 10 JEEE C=CCOc1ccccc1Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H](CNC(C)=O)C1 1301531634 RTPPABVIVXICTC-HXUWFJFHSA-N 466.586 2.366 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](c2cccc(OC)c2)N(C)C)C1 1301555204 ABOPOJQNWOOJRH-NNWRFLSQSA-N 489.642 2.273 30 10 JEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](c2ccnn2C)C1 1301612946 RYVXIYKAQCHKRK-SJORKVTESA-N 450.634 2.217 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCCCS1(=O)=O 1303627165 FLFJAVDAFMIOAN-MAUKXSAKSA-N 465.601 2.054 30 10 JEEE C#CCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1358906655 OQOGBDOMZIUYKW-GOSISDBHSA-N 451.487 2.130 30 10 JEEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1358919176 VCHVVFYCSSCKBU-UHFFFAOYSA-N 465.543 2.045 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCCCO3)n2C[C@H]2CC(F)(F)CO2)n1 1359028237 LYAKZFSGVYEFHH-MOPGFXCFSA-N 464.517 2.427 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(F)cc2C(F)(F)F)CC1 1359035559 XRQSYIUWXSIHQJ-KRWDZBQOSA-N 450.440 2.191 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC(=O)N(C)CC)CC1 1359042853 WRDFXAYNZHFHLR-UHFFFAOYSA-N 460.941 2.182 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(S(C)(=O)=O)CC1 1359103014 IQXPLRYJBXPUMA-WIYYLYMNSA-N 462.620 2.134 30 10 JEEE C=C(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](COCC)C1)c1ccccc1 1359138848 GAICDHZHKLOQCI-CTNGQTDRSA-N 475.615 2.187 30 10 JEEE C=CCC(C)(C)Cn1c(C)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1359183613 PMECCMRZHNLKGB-ZACQAIPSSA-N 453.609 2.315 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(=O)N2CCCC2)n1CC1(S(C)(=O)=O)CC1 1359254403 QDANOZCOIFILIW-UHFFFAOYSA-N 473.599 2.293 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@](C)(C(=O)NC)C1 1359327495 CVJJPKXUKQPKPW-XXBNENTESA-N 459.616 2.383 30 10 JEEE CC[C@@H](C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCN1CCOCC1(C)C 1495733229 GZXFWGCUYCHJEW-LJQANCHMSA-N 452.607 2.496 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCNC(=O)c1cccs1 1507530557 ZIOWLLQPCRQUGM-OAHLLOKOSA-N 471.612 2.188 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CC2(C(=O)NCC)CCC2)c1 1507550353 YETVFCAAMNQCDN-UHFFFAOYSA-N 474.569 2.041 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCN1CCCCCC1)[C@H]1CCS(=O)(=O)C1 1507625456 JKODLFKLPZOGMH-NRFANRHFSA-N 471.627 2.456 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(F)c(F)c1)[C@H]1CCS(=O)(=O)C1 1507640844 WSRDMKJMKJEWIB-SFHVURJKSA-N 474.537 2.093 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1 1507710911 MIFXQPSNWSSNRT-ZCNNSNEGSA-N 465.664 2.023 30 10 JEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)O[C@H](c2ccccc2)C1 1507746069 KEZHYKKJQLBYHR-AOIWGVFYSA-N 463.629 2.221 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCS(=O)(=O)NC(C)C 1507765206 ZURXVVPSLFEGAS-HSZRJFAPSA-N 491.614 2.291 30 10 JEEE C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1507828608 JEMFHZBDPSTWSB-FQEVSTJZSA-N 454.575 2.281 30 10 JEEE C=C(C)Cn1c(Cc2csc(C)n2)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 1507832974 QVEFBCGSIAAXBR-UHFFFAOYSA-N 468.649 2.087 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CC[C@H](COC)C1 1508087313 OUSBUMKGJGTKCC-KRWDZBQOSA-N 465.558 2.011 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](c2ccccc2Br)C1 1508090916 KMILNBUNHJVIQT-MAUKXSAKSA-N 476.375 2.425 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCOc2ccccc2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1508142372 CMGZSGPAEPTQER-UHFFFAOYSA-N 489.642 2.195 30 10 JEEE COCC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(CC(C)C)C(=O)C2)CCOCC1 1518796042 CNEJXOIDMOFHEO-UHFFFAOYSA-N 496.612 2.477 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccccc1OC)N1CCCC1 1539013500 IUSGUCOGKZFUQH-IRFCIJBXSA-N 471.627 2.484 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCCN2CCCC2)cc1 1539017190 YHTLQSXNLRVQCR-PZJWPPBQSA-N 471.627 2.161 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1Cc1cc(C)nn1C)[C@H]1CCS(=O)(=O)C1 1539205381 HKKHBKXHAYAHBM-ROUUACIJSA-N 486.573 2.274 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1C[C@@H](c1ccc(F)cc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1539224663 IVBQXTFBLIBXBR-RTWAWAEBSA-N 459.591 2.299 30 10 JEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@](O)(c1ccccc1)C(F)(F)F 1539331402 OGTPSLQFFCWBSG-QFIPXVFZSA-N 459.472 2.314 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@H]2CC=CCO2)CC1 1539484680 ZEWFTVFTYSMGSX-HSZRJFAPSA-N 463.582 2.383 30 10 JEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cc(F)c(F)c(F)c1 1539495951 ABMMAJPGUIYYFA-LBPRGKRZSA-N 461.535 2.308 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)OCCOC)n1Cc1cccc(N2CCOCC2)n1 1539538729 MGUIJKIYEYFDIW-NTKDMRAZSA-N 454.575 2.274 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCCS1(=O)=O 1540126172 BKRZFVJJYXIWBH-IEBWSBKVSA-N 481.644 2.048 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCC(c2nc(C)no2)CC1 1540875850 ZUIIETOLIWKKCP-UHFFFAOYSA-N 467.530 2.243 30 10 JEEE C=CCSCCn1c(-c2cccn2C)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1540913478 VGLCMCPUARWKAI-GHTZIAJQSA-N 457.648 2.192 30 10 JEEE C[C@H](C#N)CN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1cnn2ccccc12 1541106944 CZPAUYAGDAFDQI-QGZVFWFLSA-N 478.582 2.487 30 10 JEEE C[C@@H](CN1CCCC1)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@H]1C 1541874551 HYLMWQGPKNDDTI-RBUKOAKNSA-N 451.575 2.128 30 10 JEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@H]2C(=O)Nc2cc(C)ccc2OC)c1 1544161085 GHFFURUCWYSHRS-FQEVSTJZSA-N 455.536 2.158 30 10 JEEE CNC(=O)[C@@H]1CN(C(=O)c2ccncn2)CC12CCN(c1ccc(C#N)c(C(F)(F)F)c1)CC2 1548375364 KCFTUAMBVLEXDO-SFHVURJKSA-N 472.471 2.472 30 10 JEEE COC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCN(C(C)C)CC2)C1 1554514227 FXACDPQYAPWUGX-NRFANRHFSA-N 466.586 2.441 30 10 JEEE CC#CCCNC(=O)C1CCN(c2ccc(S(=O)(=O)N(CC)CC)cc2[N+](=O)[O-])CC1 1566957187 ORBFDUZCNITFFS-UHFFFAOYSA-N 450.561 2.371 30 10 JEEE N#Cc1ccc(O[C@@H]2CCN(C(=O)CCc3ccc(S(=O)(=O)N4CCCC4)cc3)C2)nc1 1583979586 AUVZLALEQAEDGF-HXUWFJFHSA-N 454.552 2.350 30 10 JEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CCN1CC=CCC1)[C@H]1CCS(=O)(=O)C1 1588034380 FFIYZLWLPGYTBV-FQEVSTJZSA-N 460.003 2.487 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1[C@@H]1C[C@H]1CF)[C@@H]1CCS(=O)(=O)C1 1588034624 JIECHBLTYBUTIT-GVDBMIGSSA-N 478.546 2.128 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@@](C)(O)c1ccco1)[C@@H]1CCS(=O)(=O)C1 1588059454 OLUSFVPRELUCSM-AUSIDOKSSA-N 472.542 2.135 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)SC 1588550125 ITUNQBUAUVYNGY-QFBILLFUSA-N 481.619 2.141 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCOC[C@@H]1OC 1588697151 QIHJQMIJAPLRFB-UFYCRDLUSA-N 477.606 2.488 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCS(=O)(=O)NC 1589658376 ZRAWMOKIDXJHOP-KRWDZBQOSA-N 470.640 2.344 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)cc1OC 1589664184 UMEDYOHOZZMFNV-HXUWFJFHSA-N 463.604 2.379 30 10 JEEE C=C(C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1589708130 CJRDWNSHKHGDBO-QGZVFWFLSA-N 458.538 2.307 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CCC(N)=O)CC1 1595658755 JNYSEHJROSLJEL-FQEVSTJZSA-N 487.626 2.275 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCC[C@@H]2[C@H]2CCCO2)nnc1[C@@]1(OC(C)C)CCOC1 1595831201 NLRUNSPCKXDLTE-WOIUINJBSA-N 468.620 2.067 30 10 JEEE C=CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1595901315 SVVQGITYLRQXLI-OAHLLOKOSA-N 469.658 2.202 30 10 JEEE C#CCn1ccc(CN(CCOC)C(=O)c2cc(S(=O)(=O)Nc3ccccc3F)c[nH]2)n1 1618758075 AXPMEZHCNMANJR-UHFFFAOYSA-N 459.503 2.073 30 10 JEEE COCCN(CCC#N)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@]1(O)CCS(=O)(=O)C1 1619910381 HHJCASJPQDBQAI-LJQANCHMSA-N 488.397 2.168 30 10 JEEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)c2cccs2)C[C@H]1C 1619938951 IBAZPYUWYJCFDS-GOSISDBHSA-N 479.610 2.465 30 10 JEEE C=CCNC(=O)CNC(=O)c1cccc(S(=O)(=O)Nc2ccc(Br)cc2)c1 1624005912 QNOPHHOQQNDTIH-UHFFFAOYSA-N 452.330 2.282 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CCC2(COC)CCC2)c1 1689870546 RKEJTNGGSNAQPZ-HXUWFJFHSA-N 464.570 2.492 30 10 JEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1CCCC(=O)NC1CC1)[C@@H]1CCS(=O)(=O)C1 1689991825 CZOHLJLQEJGCGU-HXUWFJFHSA-N 490.029 2.208 30 10 JEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1CCn1cc(C)cn1)[C@H]1CCS(=O)(=O)C1 1689991966 FEIWRHZYDBBZFT-FQEVSTJZSA-N 473.002 2.354 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cc(OC)c(OCC)c(OC)c1 1690045110 GJKIIYCBEYLULI-GOSISDBHSA-N 451.527 2.156 30 10 JEEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccccc1CN1CCOCC1 1690060617 CKJORGIIZTUGSN-VWLOTQADSA-N 453.587 2.270 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(C)n2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1690100961 JMQGKHORKKRDOX-UHFFFAOYSA-N 474.613 2.320 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2CCCN2C[C@@H](C)O[C@H](C)C2)CC1 1690128628 HLEVMNPRTPDLAC-FGZHOGPDSA-N 466.630 2.132 30 10 JEEE C=C(C)Cn1c(COc2ccccc2OCC)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1690296787 NYEOCBOAYSYTSG-UHFFFAOYSA-N 454.531 2.353 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C(=O)N(C)c2ccccc2)C1 1690312959 HOJJXVFKGHIMSC-WOJBJXKFSA-N 487.626 2.262 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(O)CC(OCC)C1 1690571565 AZWKGNJLNAQCGJ-MVBMGLOESA-N 478.590 2.442 30 10 JEEE C=CCNC(=O)Cn1c(-c2sc3ccccc3c2Cl)nnc1N(C)CCNS(C)(=O)=O 1690662041 PEILUYNYLGSEQP-UHFFFAOYSA-N 483.019 2.101 30 10 JEEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1C[C@H](C)C[C@@H]1CC 1690662337 ZNAYNANVCMCYBY-WBVHZDCISA-N 459.620 2.474 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 1690724084 HVZOUPBSHMMRRA-QGZVFWFLSA-N 461.544 2.244 30 10 JEEE CC(C)(C)[S@](=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@](F)(C#N)C1 1691325929 HDYLZUAUNDXKOL-ULKXQASOSA-N 474.610 2.441 30 10 JEEE C[C@H]1CCCN1CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(C#N)CC1 1693689983 DLODQHXMTRNFBG-SFHVURJKSA-N 471.631 2.420 30 10 JEEE CN(CC(=O)N1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1C[C@@](C)(O)c1ccsc1 1696653869 GAYYBCBPPGSIAD-HSZRJFAPSA-N 466.567 2.081 30 10 JEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCNC(=O)c1cccc(O)c1 1705552259 WUFYUUJJLHVILI-HXUWFJFHSA-N 498.584 2.182 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC(C)(C)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1705564870 DSRHWHIHDOJIHI-WOJBJXKFSA-N 463.648 2.063 30 10 JEEE C#CCN(c1nnc(-c2nnc(O)c3ccccc23)n1C[C@](C)(O)[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1705566520 OYCMRFLXFBLVBI-UAVUOLJFSA-N 498.609 2.018 30 10 JEEE C#CCN(c1nnc(COc2ccccc2CC)n1CCc1cn[nH]c1)[C@H]1CCS(=O)(=O)C1 1705568131 IBXMPWIKNLZWET-FQEVSTJZSA-N 468.583 2.012 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccc(Br)cc2)n1CC[C@H]1COCCO1 1705585429 DMIBRBDXGOJDSO-IBGZPJMESA-N 459.344 2.498 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CCN2CCSCC2)CC1 1705649813 HGKASNJLMVXJMC-UHFFFAOYSA-N 470.618 2.023 30 10 JEEE C=C(C)COCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1705729059 JNVJEYBAQGGJPM-UHFFFAOYSA-N 490.630 2.212 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2(CCOCC)CCC2)CC1 1705769208 MLEMYQKQBPIZFN-IBGZPJMESA-N 467.636 2.364 30 10 JEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(=O)N(C)C2CCCCC2)CC1 1705781175 RRICLIDWLUDJQD-INIZCTEOSA-N 452.625 2.082 30 10 JEEE Cc1ccc(SCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCCN2S(C)(=O)=O)cc1 1707567351 HZUGJFVWXURCIC-QZTJIDSGSA-N 476.628 2.032 30 10 JEEE CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCCC1(C)C 1709191463 DJVNONKOWBVLRN-NTKDMRAZSA-N 452.559 2.385 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc(N(C)C)nc1 1722295357 VVVFLNRXXMTWSC-INIZCTEOSA-N 452.588 2.205 30 10 JEEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@H]1NC(=O)CC1(C)C 1722303444 ZGPVXWDNYYRQIP-UNMCSNQZSA-N 463.630 2.015 30 10 JEEE C#CCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1722337503 BWHDYONOBPIMQX-UHFFFAOYSA-N 466.586 2.061 30 10 JEEE C#CCN(c1nnc(-c2cccc(Br)c2)n1CCC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1722364226 JYKDCZDFMPUCCW-QGZVFWFLSA-N 481.416 2.495 30 10 JEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCc1nccs1 1722379590 UUFHDCXSYYZIAS-UHFFFAOYSA-N 453.597 2.400 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCCCN2CCOCC2)CC1 1722441487 KHOLJPDYIUWXFM-UHFFFAOYSA-N 466.630 2.342 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2CCSCC#C)CC1 1722447246 KAKPCEOHOFJRPR-UHFFFAOYSA-N 457.550 2.479 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2CCc2noc(CC)n2)CC1 1722450481 KANVVVQYKWCNSO-UHFFFAOYSA-N 481.532 2.150 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1722509773 YIMBPZRGIGUDNZ-UXLLHSPISA-N 474.503 2.233 30 10 JEEE C=CC[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(S(C)(=O)=O)CC1)c1ccccc1 1722594668 PNQYDIZDOPOOKU-WOJBJXKFSA-N 472.615 2.061 30 10 JEEE C=CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1722607506 WGNKJHITHHOZFE-LJQANCHMSA-N 454.531 2.401 30 10 JEEE C=CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1722682468 MEEOBXAVEARASC-INIZCTEOSA-N 466.633 2.136 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1722728423 VYDUGCRJBLJBSU-IBGZPJMESA-N 467.636 2.204 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(C(C)(C)C)CC1 1722728441 ULMRJYWUJRCTBF-UHFFFAOYSA-N 485.614 2.115 30 10 JEEE C=CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1722734106 AOUZMNYACSMADF-AWEZNQCLSA-N 489.465 2.473 30 10 JEEE CC(C)NC(=O)CCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC(C#N)CC1 1723632616 DBXUQXQPXQFLQU-UHFFFAOYSA-N 478.645 2.297 30 10 JEEE C#CCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1740594334 JDJYUBKBRMDFHH-QFIPXVFZSA-N 479.629 2.333 30 10 JEEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1Cc1cc(F)ccc1N1CCOCC1 1740612957 NVBCWHBPFAYNOE-UHFFFAOYSA-N 468.558 2.363 30 10 JEEE C#CCN(c1nnc(-c2cnn(-c3ccccc3)c2)n1CCOCC(=C)C)[C@@H]1CCS(=O)(=O)C1 1740621466 LYEJLNSOVWFYDU-JOCHJYFZSA-N 480.594 2.350 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccc(OCC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1740628999 YDPQIQVOSRCKNB-AZUAARDMSA-N 474.583 2.212 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1740664239 JLUVTZDRTYYJBU-YKSBVNFPSA-N 487.626 2.383 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1cccs1)N1CCCC1 1740686107 OOAAKYCABKVFJE-MOPGFXCFSA-N 477.656 2.165 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCCNC(=O)c2occc2C)CC1 1740692491 KBOMUQYQNFLHPE-UHFFFAOYSA-N 492.580 2.439 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2nnc(C(C)(C)C)s2)CC1 1740702463 PRPLYWZBIKEZPN-MRXNPFEDSA-N 489.646 2.165 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1740754529 UFYAXXXWKGYJJF-LJFZDNNRSA-N 487.626 2.292 30 10 JEEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1740817821 VEUYHPMUGIMMLP-GJZGRUSLSA-N 467.983 2.461 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)CN2CCCCC2)CC1 1740839042 FPJCAUYMUVKZRD-FPOVZHCZSA-N 480.679 2.135 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCOC2(CCOCC2)C1)C(C)C 1740927650 WDCZJLGYZARFHK-RTWAWAEBSA-N 472.634 2.314 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1740953250 ZPDXDLKMOKRGHI-RLFYNMQTSA-N 458.950 2.089 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1740953866 UASTVDUKWORJST-UHFFFAOYSA-N 491.543 2.433 30 10 JEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CC(CC)(CC)SC)[C@H]1CCS(=O)(=O)C1 1748801468 AISCQOZXQYZLEW-KRWDZBQOSA-N 467.661 2.063 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1cccc(C(=O)N(C)C)c1)[C@@H]1CCS(=O)(=O)C1 1748815489 QRZNXFANWJNJRT-OAQYLSRUSA-N 492.605 2.025 30 10 JEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1CCCNC(=O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1748818350 AOQYBTQNIYKIAL-HXUWFJFHSA-N 492.045 2.311 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)CC1 1749001472 SOPMNIRPQLGPFM-OALUTQOASA-N 458.651 2.429 30 10 JEEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1749042989 CCFIQACHCAEPCU-NRFANRHFSA-N 468.631 2.225 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccccc2OC)nnc1N1CCN(C(=O)NC)CC1 1749139409 FATXZKVPVDRJRK-AVRDEDQJSA-N 470.574 2.308 30 10 JEEE C=C(C)Cn1c(CC(C)C)nnc1N1C[C@@H]2[C@@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1749195054 FHTAXRJWBSOMLS-IKGGRYGDSA-N 453.609 2.179 30 10 JEEE C=C(C)COCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@@]2(CCOC2)C1 1749210601 JRNZUHYCMNTUSO-QHCPKHFHSA-N 475.977 2.450 30 10 JEEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1749232922 XZTBGAAAAZHCOR-DHIUTWEWSA-N 495.672 2.483 30 10 JEEE C=C(Cl)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@H](COCCOC)C1 1749265351 RDNZYILKVFDDKO-MRXNPFEDSA-N 458.950 2.434 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC(CCN(C)C(=O)OC(C)(C)C)CC1 1749650071 IPAUURONESUFDV-UHFFFAOYSA-N 491.637 2.192 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1749736928 SSPAXTYOTLZEEV-WMZHIEFXSA-N 460.600 2.162 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCCN(C)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 1760187609 KKGXQSDFFIHHGC-UNMCSNQZSA-N 477.675 2.453 30 10 JEEE C#CCN(c1nnc(COCC)n1C[C@H]1CCCN1C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1760191859 AOXGPHZDLHKHTF-NHCUHLMSSA-N 463.648 2.238 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@@H]1CC=CCO1)[C@H]1CCS(=O)(=O)C1 1760192701 WXPAXRUMECDLLW-FPOVZHCZSA-N 456.568 2.137 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCC[C@@H]1OC 1760240250 LQQZSRWIRNAOQP-QRFRQXIXSA-N 463.579 2.482 30 10 JEEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cccc(OC)c1 1760247504 DETZZJPBIRWSTG-UHFFFAOYSA-N 468.583 2.381 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](CC)c3ccccc3)n2CCS(=O)(=O)CC)CC1 1760266458 ZLXJOIQIULPGFM-OAQYLSRUSA-N 471.627 2.221 30 10 JEEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1760449254 FHFKQTZCNAQQGW-IBGZPJMESA-N 455.519 2.057 30 10 JEEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1 1760526285 JXLZHAMHDAESBP-INIZCTEOSA-N 498.613 2.462 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCC(CC(N)=O)CC2)cc1 1760530326 NVYSJLYWJZCWKQ-UHFFFAOYSA-N 452.559 2.219 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](C(=O)NC)C1 1760532128 LSTNOTRTWOASLB-LJQANCHMSA-N 452.559 2.090 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CCc1ccc2c[nH]nc2c1 1761480537 IAELJFWTLRGSMD-HNNXBMFYSA-N 456.576 2.137 30 10 JEEE CCOc1ccc(O[C@H](C)c2nnc(N3CCO[C@@H](C#N)C3)n2CC2(S(C)(=O)=O)CC2)cc1 1766032958 CFNUAFNEBHJQNH-APWZRJJASA-N 475.571 2.123 30 10 JEEE N#Cc1cccc(NC(=O)c2nc(C(=O)N3CCN(c4ncccn4)CC3)n3ccccc23)c1 1858241901 KUQAIJPHOZKHTG-UHFFFAOYSA-N 452.478 2.211 30 10 JEEE COC(=O)CSc1nnc([C@H]2CC(=O)N(Cc3ccccc3)C2)n1/N=C/c1cccn1C 1874210707 ARECMZDVJBOJOT-FZJZADEZSA-N 452.540 2.280 30 10 JEEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)c3cc4cc(F)ccc4n(C)c3=O)CC2)CC1 1890863391 XEJIQXXJJUYYCM-UHFFFAOYSA-N 482.600 2.328 30 10 JEEE Cc1nc(I)c(NC(=O)C2(C#N)CC2)c(I)n1 2008827379 SKPWLPGQPAZLDT-UHFFFAOYSA-N 454.009 2.237 30 10 JEEE CC1(C)OB(C2[C@@H]3CN(S(=O)(=O)C[C@@](C)(F)CN4C(=O)c5ccccc5C4=O)C[C@@H]23)OC1(C)C 2046025337 IMHLKAUZEQGVMS-QZMQVMSPSA-N 492.378 2.365 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)O 2059771533 VYVKATXOPSSKOH-LSDHHAIUSA-N 454.524 2.106 30 10 JEEE C#CCN(C(=O)[C@@H]1C[C@H](O)CN(C(=O)OC(C)(C)C)C1)C1CCN(C(=O)OC(C)(C)C)CC1 2136212869 MQOLRFZWMLOCLV-MJGOQNOKSA-N 465.591 2.466 30 10 JEEE CC1(C)OB(c2csc(S(=O)(=O)N3CC(NC(=O)OCc4ccccc4)C3)c2)OC1(C)C 2243412697 RLOXGELSDBYDRM-UHFFFAOYSA-N 478.401 2.347 30 10 JEEE CN(CCNC(=O)OC(C)(C)C)S(=O)(=O)Cc1ccccc1B1OC(C)(C)C(C)(C)O1 2255795950 KMKZCNNGEAURFU-UHFFFAOYSA-N 454.398 2.272 30 10 JEEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)NC(=O)c1nn(C)c(Cl)c1B1OC(C)(C)C(C)(C)O1 2255817206 QXTJYWGFSMFKAX-VXGBXAGGSA-N 456.780 2.404 30 10 JEEE COC1(C(=O)NCc2ccc(B3OC(C)(C)C(C)(C)O3)s2)CN(C(=O)OC(C)(C)C)C1 2256653396 FKMQYLCLAUWJPK-UHFFFAOYSA-N 452.382 2.299 30 10 JEEE CO[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)N(C(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)C1 2267005195 KZJQBKGZMRKDRR-KBPBESRZSA-N 467.397 2.197 30 10 JEEE Cc1ccnc(C(=O)N=[S@](C)(=O)CCNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267198218 VHIFZMTUKXJEHP-JGCGQSQUSA-N 467.397 2.452 30 10 JEEE C[C@@H]1C[C@H](NC(=O)C(F)(F)F)CCN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2267722056 TUFZSTVEFNHXJX-DGCLKSJQSA-N 482.355 2.267 30 10 JEEE Cn1cc(C(=O)N2CCCCC23CN(C(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)n1 2281960969 HBKKJZVYKCADMY-UHFFFAOYSA-N 460.384 2.335 30 10 JEEE Cc1nn(C)c(C(=O)NC[C@@H]2[C@H]3C[C@@H]3CN2C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2281987846 DUESFPKKCBGDNZ-OWCLPIDISA-N 460.384 2.013 30 10 JEEE Cn1cc(C(=O)NCc2ccc(NC(=O)C(F)(F)F)cc2)nc1B1OC(C)(C)C(C)(C)O1 2282042305 BRWPBNFRVCVOSY-UHFFFAOYSA-N 452.242 2.150 30 10 JEEE C[C@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1)C1(O)CCN(C(=O)OC(C)(C)C)CC1 2282202296 AXHYDQDMLIYXNK-HNNXBMFYSA-N 463.384 2.194 30 10 JEEE C[C@H]1C[C@@H](NC(=O)C(F)(F)F)CCN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2282343083 BVMKLLPPZMJWSD-ZFWWWQNUSA-N 476.326 2.206 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1CN2S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282353137 FDGVOCHAIOYDFW-DLBZAZTESA-N 479.408 2.153 30 10 JEEE Cn1cc(C(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccco2)nc1B1OC(C)(C)C(C)(C)O1 2282545451 IZHNKWVBCMCYHZ-AWEZNQCLSA-N 460.340 2.308 30 10 JEEE Cn1cc(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 2282555316 RENNREAPIAPPJD-HLLBOEOZSA-N 460.384 2.095 30 10 JEEE Cc1nn(C)c(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2F)c1B1OC(C)(C)C(C)(C)O1 2282559458 PMCFTOGVKXHNPF-CABCVRRESA-N 466.363 2.105 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1C[C@@H](NC(=O)C(F)(F)F)CC[C@H]1C 2282691878 PHWIZZIUNAKEFS-HIFRSBDPSA-N 457.302 2.479 30 10 JEEE Cn1c(C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)cnc1CNC(=O)OC(C)(C)C 2283987463 XWUCKBDEMTWSDC-UHFFFAOYSA-N 457.340 2.391 30 10 JEEE C[C@H](NC(=O)[C@@H]1[C@H]2OCCN(C(=O)OC(C)(C)C)[C@H]12)c1nscc1B1OC(C)(C)C(C)(C)O1 2284068887 JPPCGZKAVATLCS-GUDXXQAFSA-N 479.408 2.254 30 10 JEEE CNC(=O)[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@@H]1C1CCN(C(=O)COCCOC)CC1 2297650209 JKIOQUXFJXXRLQ-WOJBJXKFSA-N 496.530 2.277 30 10 JEEE COCCN1C(=O)C(=O)C(=C(O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@H]1c1cccc(OC)c1 2297744808 NOSCJQKPCNBLAG-HXUWFJFHSA-N 474.535 2.014 30 10 JEEE COc1ccc(N2C[C@H](c3nnc(SCC(N)=O)n3N=Cc3ccc([N+](=O)[O-])cc3)CC2=O)cc1 2325880574 JQBAPOXFBNOAPW-OAHLLOKOSA-N 495.521 2.175 30 10 JEEE CC(C)N1C[C@@H](c2nnc(SCC(=O)NCc3ccco3)n2N=Cc2ccco2)CC1=O 2329022024 ZOOUBMKHABMFDL-HNNXBMFYSA-N 456.528 2.479 30 10 JEEE CC(C)(C)OC(=O)N1[C@@H](COc2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)CCS1(=O)=O 2345675986 AQZKGCZLDKMUQX-CYBMUJFWSA-N 472.344 2.238 30 10 JEEE COc1ccc(OC)c(S(=O)(=O)Nc2ccc(N3CCN(CCC#N)CC3)c(C(=O)O)c2)c1 32961669 WKGHFSPWIOTOMX-UHFFFAOYSA-N 474.539 2.238 30 10 JEEE N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 46898572 IITXTBCFJMXJNG-UHFFFAOYSA-N 452.458 2.236 30 10 JEEE CCOc1cccc(NC(=O)CSc2n[nH]c(N/N=C/c3c(C)nn(CCO)c3C)n2)c1 59887743 DFGGBVBGSRVBLC-SRZZPIQSSA-N 458.548 2.186 30 10 JEEE Cc1ccc(NC(=O)C(=O)NCC2CCN(c3ncccc3C#N)CC2)cc1N1CCCC1=O 70897208 ACGYXMYYDGCZRN-UHFFFAOYSA-N 460.538 2.360 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CCCN(c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 215692523 PJBGJMSMWLRYBS-DLBZAZTESA-N 489.426 2.022 30 10 JEEE C=CCN1C(=O)C(=c2sc3n(c2=O)[C@H](c2cccs2)C(C(=O)OC)=C(C)N=3)c2ccccc21 252671319 NGBNYEPCCQWNCS-LJQANCHMSA-N 477.567 2.373 30 10 JEEE CC(C)CSc1nnc(NC(=O)CSc2n[nH]c(NN=Cc3cnn(C)c3)n2)s1 1084137967 JQUDNPAQPXJAAY-UHFFFAOYSA-N 452.595 2.315 30 10 JEEE COc1ccc2nc(NC(=O)CSc3nnc(NN=Cc4cccc(O)c4)n3N)sc2c1 1084337857 LVKWURLBPJDEIX-UHFFFAOYSA-N 470.540 2.493 30 10 JEEE C#CCN(c1nnc(C(C)C)n1C[C@@H](C(CC)CC)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1286386219 WPKLXYPUNGQKQF-SFTDATJTSA-N 465.664 2.165 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@H]1CCN(CCC)C1)[C@H]1CCS(=O)(=O)C1 1286396123 VKVHOFYJRLGSGM-FPOVZHCZSA-N 473.618 2.367 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CCOC(C)C)[C@@H]1CCS(=O)(=O)C1 1286397714 UIZJHLLBOWGXCO-GOSISDBHSA-N 450.536 2.048 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2CCCN2CCN(CC)CC2)CC1 1286489133 HEKAKJKCSKEKHI-UHFFFAOYSA-N 477.657 2.247 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCC2CCOCC2)CC1 1286493515 VZRUGSRCHWAZIV-UHFFFAOYSA-N 467.618 2.312 30 10 JEEE C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C[C@@H](O)COc2ccccc2)CC1 1286584782 MHBHGXPNBHMWTK-HXUWFJFHSA-N 477.569 2.063 30 10 JEEE C=CCCCCCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@]1(O)CCS(=O)(=O)C1 1286680978 HEGZEASOUMXBMA-QHCPKHFHSA-N 476.599 2.449 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1OCC[C@H]1C 1286742556 LWJXWUGCBIMASP-MBOZVWFJSA-N 458.588 2.378 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCOC[C@@H]1OC 1286769267 PASPRBUSYSMIMN-UFYCRDLUSA-N 495.621 2.277 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(c2nccc(OCC)n2)CC1 1286793961 QTMBTMKJIFCLQY-WIYYLYMNSA-N 498.632 2.014 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](Cc2ccccc2)OC)C1 1286809430 IZARTHZNTMTIBO-PWRODBHTSA-N 460.600 2.219 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CC)C(C)C 1286820262 IKRQCZYCHFUBJF-QGZVFWFLSA-N 471.624 2.422 30 10 JEEE CC(C)c1nnc([C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CC(=O)NCC(F)F)CCO2)o1 1287172326 HXIRGSIHSUOVSJ-MRXNPFEDSA-N 486.483 2.282 30 10 JEEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCN(C)C2)CCN1C(=O)OC(C)(C)C 1291217653 FVSXWPOVYRWBSZ-BVZFJXPGSA-N 481.601 2.329 30 10 JEEE CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)N2CCC(OC)CC2)CC1 1299273926 GRKYBFPDGYNROY-UHFFFAOYSA-N 480.617 2.168 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CC(=O)N1CCOCC1 1300286294 HLGLKUPHQIKSHI-AWEZNQCLSA-N 462.348 2.033 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCc1cc(OC)ccc1OC)[C@@H]1CCS(=O)(=O)C1 1300496290 PIZKTGZSFQHQCK-WOJBJXKFSA-N 488.610 2.059 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@](C)(O)c2ccccc2)CC1 1300710415 ACIODOZBIJHWJJ-SANMLTNESA-N 480.613 2.070 30 10 JEEE C#CCSCCn1c(COc2ccc(C)cc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1300769940 MLOYZRPTAGEGEH-UHFFFAOYSA-N 468.583 2.053 30 10 JEEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCC(CN2CCOCC2)CC1 1300831479 ZXJNYFZEGMWNEL-QGZVFWFLSA-N 472.428 2.459 30 10 JEEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1300973378 ZWLMYLHVYXUSGC-BZSNNMDCSA-N 451.568 2.308 30 10 JEEE COC[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1300984354 AEJOQVKMPOXAHK-WIYYLYMNSA-N 451.531 2.113 30 10 JEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1[C@H]1CCCO1 1301188388 IMFWPWLFIPHXOK-QRVBRYPASA-N 453.609 2.115 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCOC1=O 1301348464 AWRAHTDYJUDRMD-IBGZPJMESA-N 459.572 2.215 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1301506989 SRCZRGZOLSTBEV-FQEVSTJZSA-N 452.538 2.360 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccnc3)n2CCNS(=O)(=O)c2ccc(C)s2)C1 1301553624 PLYUKOJGWRCTAZ-SFHVURJKSA-N 474.612 2.470 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CCN(c2ncccn2)CC1 1301576737 AXHOUSGPGNLUFZ-UHFFFAOYSA-N 473.990 2.316 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCOCC2(CC2)C1 1301576803 ZUCSPXDVSGSLJN-UHFFFAOYSA-N 492.598 2.189 30 10 JEEE CC(=O)N1CCCN([C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCCCCO)C[C@@H]2C)CC1 1301710585 ZKGHBDFBTAKRMT-GBXCKJPGSA-N 479.629 2.358 30 10 JEEE C[C@H]1CCCN([C@@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCS(=O)(=O)CC2)C1 1305027810 ASXPWZNGJPUCOA-OALUTQOASA-N 472.615 2.084 30 10 JEEE C=CCn1ncc2ccc(NC(=O)N3CCN(c4ccc(S(=O)(=O)NC)cc4)CC3)cc21 1311253938 ZGPGKACFRDDBSM-UHFFFAOYSA-N 454.556 2.485 30 10 JEEE CCCOc1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(C(=O)COC)CC2)cn1 1313513390 FFPCZNIVRLUHSO-UHFFFAOYSA-N 475.553 2.344 30 10 JEEE CCN(CCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@H](C)C1)S(C)(=O)=O 1313800551 DOMNEWZBRVIXJL-HDICACEKSA-N 476.603 2.014 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCN1CCCCC1=O 1358891437 GPKYLYMJUSNOTL-OALUTQOASA-N 474.606 2.447 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1ccc([C@H](C)O)cc1)[C@H]1CCS(=O)(=O)C1 1358961495 ACOIHHQYDLXFKS-YYWHXJBOSA-N 458.584 2.248 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1Cc1ccnc(C(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 1358966632 SQBPTTNTIQRMJH-INIZCTEOSA-N 453.490 2.319 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@](C)(O)C(C)C)[C@H]1CCS(=O)(=O)C1 1358967221 GFFKLBJHDRZCQN-JTSKRJEESA-N 464.563 2.030 30 10 JEEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1ccc(OCc2ccccn2)cc1 1358981411 ITJWLHMWVTYCOZ-UHFFFAOYSA-N 454.534 2.496 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCn1cc([C@H]2CCOC2)cn1 1359003583 QAJXYIDCXUJMKN-IBGZPJMESA-N 468.583 2.209 30 10 JEEE C=CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1cnn(C)c1C 1359282084 QOJNWSAJCHIVPD-UHFFFAOYSA-N 451.579 2.181 30 10 JEEE C=CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1359284473 QVGOAPIJRFEZBG-PXNSSMCTSA-N 484.601 2.146 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H]1c1cccc(OC)c1 1359327120 SMRPWVWXZAUGSA-LJQANCHMSA-N 461.588 2.367 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@]2(CCSC2)C1 1359334608 LJTRBIVEKURFIX-HXUWFJFHSA-N 450.634 2.074 30 10 JEEE CC(C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CC1(O)CCN(C(C)C)CC1 1359717631 BGENNGIYWKZRFW-IBGZPJMESA-N 467.622 2.014 30 10 JEEE CC[C@H](C)N(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1496121398 FUOHECFDBOUHPP-FXAWDEMLSA-N 476.589 2.079 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1Cc1ncccc1N(C)C)[C@@H]1CCS(=O)(=O)C1 1507628689 PUFNWJUIPGNHEW-LJQANCHMSA-N 480.594 2.090 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)o2)n1Cc1ccc(OC)c(O)c1)[C@@H]1CCS(=O)(=O)C1 1507628982 QVYGBOWPHLMYSL-QGZVFWFLSA-N 456.524 2.236 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC(C)(C)c1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 1507631464 DOZBXVKMZCYEDM-QUCCMNQESA-N 472.611 2.395 30 10 JEEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1507640139 PWTYUFUYNYJOKL-MJGOQNOKSA-N 464.975 2.316 30 10 JEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CCC[C@H](O)C1 1507641583 HTZJPGCHTJSCPZ-MOPGFXCFSA-N 454.600 2.171 30 10 JEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1OCCC1(C)C 1507642005 NTTIRTLOWQGDPT-GOSISDBHSA-N 454.600 2.435 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1507785417 QONAUBUGPKBFKV-BRWVUGGUSA-N 470.412 2.448 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCC(NS(C)(=O)=O)CC1 1507801369 UTBBVOZCNDDHIW-FXAWDEMLSA-N 460.604 2.148 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCOC2)n1C[C@H]1CCCN1S(C)(=O)=O 1507997853 YTMXTKHBINGOHO-VQTJNVASSA-N 475.615 2.407 30 10 JEEE CC(C)C1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@@](C)(C#N)C2)CC1 1508877062 HZKFZHQQTHFSEE-XLIONFOSSA-N 450.609 2.177 30 10 JEEE C[C@H](CN1CCCC1)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1510082390 HIVNWFBKAUODNX-TZIWHRDSSA-N 485.658 2.314 30 10 JEEE CN(Cc1ncnn1CC(F)F)c1nnc(-c2ccc(C#N)cc2)n1CCC1(O)CCOCC1 1517186732 ANZKMKHIUFZYOG-UHFFFAOYSA-N 472.500 2.241 30 10 JEEE CO[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCCS2(=O)=O)C1 1518590447 CHLLMGDDQGCARB-PMACEKPBSA-N 459.572 2.311 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1538976295 KAEWBOUJUAMVBF-QKLQHJQFSA-N 459.513 2.041 30 10 JEEE C#CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C(N)=O)CC1 1539071445 UCMCYFZURMOHFD-GOSISDBHSA-N 460.579 2.092 30 10 JEEE C#CCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1539111824 AXYCZSXUPCBEQW-IBGZPJMESA-N 467.599 2.310 30 10 JEEE C#CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCN1CCN(C)C(C)(C)C1 1539176486 OQGFRBQHBTYMAA-UHFFFAOYSA-N 473.666 2.488 30 10 JEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1C[C@H]1CCCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 1539206425 OYCQUZBPBFUHSJ-APWZRJJASA-N 497.042 2.050 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CC(C)(C)CN(C)C)[C@@H]1CCS(=O)(=O)C1 1539230340 MAHVZTJTMDDYGD-LJQANCHMSA-N 477.606 2.211 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)NC(CC)CC)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1539291153 MRQSQEIJMXTDCX-FQEVSTJZSA-N 477.613 2.328 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1CCn1cc(Br)cn1 1539338538 WAUKZQFITFCMGD-WMZOPIPTSA-N 461.364 2.124 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2CCCS(C)(=O)=O)CC1 1539437603 GBOUYBHZJKYQPK-QGZVFWFLSA-N 461.657 2.321 30 10 JEEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](c2ccccc2Cl)N(C)C)CC1 1539443927 BMQHNJUSOAHPAY-NRFANRHFSA-N 452.994 2.390 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(OC)c(OCC)c2)CC1 1539462585 IZAKHRIJHRQQGM-REWPJTCUSA-N 469.586 2.213 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Cl)n2C[C@]2(OC)CCOC2)CC1 1539476309 VFGTXFJFRBMCEO-HSZRJFAPSA-N 457.962 2.370 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCOc2ncccc2Cl)CC1 1539481988 QMLBEODWYSZAFD-SFHVURJKSA-N 472.977 2.265 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CC2(CC)CCOCC2)CC1 1539484202 GWVLEXDALSANSD-UHFFFAOYSA-N 450.587 2.437 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)CCCO2)CC1 1539489284 TZBUKXYLXPJOLP-VWLOTQADSA-N 462.554 2.264 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(-c2n[nH]c(C)n2)cc1 1539539014 NXZNMAZUHQXKLV-OYHNWAKOSA-N 468.587 2.022 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2c(F)cccc2F)nnc1N(C)CCNS(C)(=O)=O 1539635175 GDNKAJRUZZIDQX-FOIQADDNSA-N 469.558 2.114 30 10 JEEE C=C(C)COCCn1c([C@H]2CCCCO2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1539751863 WPUUSARDVCDIEF-OAQYLSRUSA-N 471.606 2.492 30 10 JEEE C=CCNC(=O)Nc1ccc(NC(=O)CN2C(=O)N[C@](C)(c3ccccc3OC)C2=O)cc1 1540674075 BWLKJZDNQGUKJR-HSZRJFAPSA-N 451.483 2.408 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCc2sccc2C1 1540864534 CUISTFRTHVLGAV-UHFFFAOYSA-N 457.581 2.275 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(c2c(F)cccc2OC)CC1 1540867887 KXMWWCMYXMHSJA-UHFFFAOYSA-N 451.506 2.117 30 10 JEEE CC(C)(C)c1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CC1(C(N)=O)CCOCC1 1541157335 FRKXSSRQADKZKJ-UHFFFAOYSA-N 479.629 2.442 30 10 JEEE Cc1nnc([C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCC(=O)NC(C)(C)C)CCO2)o1 1543097594 FLGHMGWELRCGHA-SFHVURJKSA-N 464.530 2.391 30 10 JEEE C[C@@H]1C[C@@H](C)CN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N2CCOCC2)C1 1543579620 DSVALEGTASZIMC-RTBURBONSA-N 452.559 2.460 30 10 JEEE CN(CCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C#N)C1)CC(F)(F)F 1554275623 BCQSJHMBXYWYTI-KRWDZBQOSA-N 499.925 2.474 30 10 JEEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(Nc2cc(OCC)ncn2)CC1 1587759256 RKRNYCMERUAOJB-GOSISDBHSA-N 452.563 2.302 30 10 JEEE C#CCN(c1nnc(Cc2c[nH]c3ccccc23)n1C[C@](C)(O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1588065404 YEPXARZMWZZLOK-DVECYGJZSA-N 469.611 2.384 30 10 JEEE C#CCN(c1nnc(COCC)n1Cc1cc(Cl)c(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1588073834 FOAHQNBWFRMZCW-MRXNPFEDSA-N 482.990 2.160 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCN1CCCS1(=O)=O 1588099230 KHGMXAVKUVQAHU-QGZVFWFLSA-N 457.625 2.240 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC(=O)NCC=C 1588219131 MRFPMYXKWQAKMO-UHFFFAOYSA-N 457.538 2.001 30 10 JEEE C#CCN1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCCC(F)(F)F)CC1 1588805884 CTPLTGKZNCBXOT-UHFFFAOYSA-N 459.476 2.290 30 10 JEEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1589089406 RSFQHRQMWQPMQG-OAQYLSRUSA-N 496.681 2.377 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2ccc(CC)cc2)C1 1593636128 HIVIKAQSTOZPND-SFTDATJTSA-N 475.615 2.327 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)N1CCOCC1 1595116117 PLJRPJUJFJUNJU-FPOVZHCZSA-N 459.616 2.094 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1595475119 AAUGHZBQNITUMZ-WSTZPKSXSA-N 472.565 2.016 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1595522496 DUUOPIZEMZAOOR-SFHVURJKSA-N 462.558 2.151 30 10 JEEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1595877905 CTHYJLGCRBWLEA-SFHVURJKSA-N 458.588 2.321 30 10 JEEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 1595895444 JVNYTVXQYXMBCS-UHFFFAOYSA-N 486.617 2.350 30 10 JEEE C#CCN1CCN(C(=O)CSc2nnc3n(CCCCC)c(=O)c4ccccc4n23)CC1 1613189968 DUSUKYVKGWIAOU-UHFFFAOYSA-N 452.584 2.104 30 10 JEEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2CN(C(=O)OC(C)(C)C)C2)C[C@H]1OC 1620147879 DDQILLYSXXHHSY-OYRHEFFESA-N 498.584 2.446 30 10 JEEE C=CCNC(=O)c1ccc(NC(=O)CNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1 1625240046 KJIFRYKJHAMFMS-UHFFFAOYSA-N 457.430 2.418 30 10 JEEE N#Cc1ccc(N2CCN(S(=O)(=O)c3ccc(C(=O)NCC(F)(F)F)cc3)CC2)cc1 1656497596 HEFAGIFDDIEPNL-UHFFFAOYSA-N 452.458 2.361 30 10 JEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2ccccc2C)C1 1689892937 QCDHQLARGSWHNW-FGZHOGPDSA-N 487.626 2.301 30 10 JEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(N2CCc3cc(F)ccc32)CC1 1689913362 MSLUZUPDPVSALS-QGZVFWFLSA-N 474.606 2.472 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H]1CCCN1CC)[C@H]1CCS(=O)(=O)C1 1689981886 CYFBMJRGQBMSAP-UXHICEINSA-N 487.626 2.073 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CC[C@@H](OC)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1689984348 NUNTXRQINXPXHA-ZWKOTPCHSA-N 481.500 2.411 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CC1(N(C)C)CCCC1)[C@@H]1CCS(=O)(=O)C1 1689984899 XTBJCSVDNGFMDK-OAQYLSRUSA-N 466.611 2.318 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1ccc(C(C)(C)O)cc1)[C@@H]1CCS(=O)(=O)C1 1689989367 DXTLNZAXMAHWPC-RTWAWAEBSA-N 472.611 2.422 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1Cc1cccc(CN2CCOCC2)c1 1690188607 MDFMGEXWOAVFPD-RUZDIDTESA-N 450.587 2.289 30 10 JEEE C=CCCOCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1690508138 BRSNOCKGADGVIN-FXAWDEMLSA-N 462.572 2.397 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1690662786 DHHWJSFSSDUCAK-OAHLLOKOSA-N 452.481 2.329 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN([C@@H](C)c2cccc(OC)c2)CC1 1690673034 MBGDGPAAMMBZAV-FQEVSTJZSA-N 475.597 2.458 30 10 JEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCCN(C(=O)c2ccccc2)CC1 1690674176 RIWXUYNVORGOHR-UHFFFAOYSA-N 479.610 2.289 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1690675090 PBKJHAOVVAKKRZ-LJQANCHMSA-N 467.530 2.045 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCO[C@@H](c2nnc(C(C)C)o2)C1 1690723256 MBTGDRSELKTIBW-MRXNPFEDSA-N 450.565 2.231 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(CC#N)CC1 1690723995 FWPZRYWMOHKWBM-UHFFFAOYSA-N 484.630 2.183 30 10 JEEE CC(C)N(C)C(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)c2cc[nH]n2)CC1 1692461637 AHDXYQQIQBLJGM-UHFFFAOYSA-N 489.584 2.053 30 10 JEEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCc1ccc(OC)cc1OC 1694737412 CUPDRWAQIXTXKV-QGZVFWFLSA-N 462.558 2.477 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CN(CC(C)C)CCO1 1705481948 PHSWBYNWZXQJMA-ICSRJNTNSA-N 459.616 2.163 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1CCc1ccccc1OC)[C@H]1CCS(=O)(=O)C1 1705565028 RLSKFKBPQZJCGM-FQEVSTJZSA-N 451.552 2.218 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC1(OCC)CCCC1)[C@H]1CCS(=O)(=O)C1 1705568481 OICCBTTZLABWMP-FQEVSTJZSA-N 474.631 2.116 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1C[C@@H](c1ccc(C)cc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1705571480 ZVPHBDBARDMEOQ-VXKWHMMOSA-N 455.628 2.469 30 10 JEEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc(O)cc1 1705626795 JMCCUMXSUJXZQZ-UHFFFAOYSA-N 454.556 2.078 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CC[C@@H](C)N2CCCCC2)CC1 1705648783 YSPOOSLUYBAXMX-IFMALSPDSA-N 456.635 2.402 30 10 JEEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)C[C@@H]1CCCOC1 1705658963 GZEUZAUEGYAHML-KRWDZBQOSA-N 452.584 2.421 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(OCC2CC2)CC1 1705698289 RSFSFWOVRSQHLS-KPFFTGBYSA-N 467.636 2.265 30 10 JEEE C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(=O)Nc2ccccc2CC)CC1 1705885833 SXYQFBUWGZXNLS-UHFFFAOYSA-N 474.569 2.435 30 10 JEEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CCO)Cc1ccc(F)c(Br)c1 1705890495 SIYLAXGNLXFIMM-CQSZACIVSA-N 473.368 2.267 30 10 JEEE C=CCNC(=O)Cn1c(N2CCS[C@@H](C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705909104 MZYXRNIXLRIESP-HRCADAONSA-N 450.609 2.293 30 10 JEEE CCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1709441756 BINSZXCNDSBEGQ-DEOSSOPVSA-N 453.591 2.014 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCCN(CC)CC)[C@H]1CCS(=O)(=O)C1 1722360774 WDKBZSNUHBETJE-NRFANRHFSA-N 454.600 2.175 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@](C)(O)CCC)[C@@H]1CCS(=O)(=O)C1 1722361746 JICPIIZZERKFGG-OXQOHEQNSA-N 451.980 2.171 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1722443590 WTCHLHGUNIZDDW-FCHUYYIVSA-N 451.571 2.013 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@@](C)(O)CCC(C)C)CC1 1722449038 LTYDBFIWLRMHJN-VWLOTQADSA-N 452.603 2.417 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C)c2ccccc2C1 1722490887 FDPSQHMCZQEVPD-LMNJBCLMSA-N 474.631 2.326 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1 1722493679 KQBOAZLMSAQMDX-IFMALSPDSA-N 450.543 2.093 30 10 JEEE C=CCn1c(C(=O)NC(CC)CC)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1722681989 HWPYJOCALYIYOD-RTBURBONSA-N 459.639 2.009 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN([C@H](C)c2nc(CC)no2)CC1 1722695768 PFZYWGIOXNCOFW-OAHLLOKOSA-N 485.980 2.124 30 10 JEEE C=CCOc1ccc(Cn2c(N3CC[C@H](C(N)=O)C3)nnc2[C@]2(OC(C)C)CCOC2)cc1 1722704308 GPCJCJLOICAURQ-CYFREDJKSA-N 455.559 2.243 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCC1CC1 1722727134 GGUJBOFXNYACST-SFHVURJKSA-N 483.635 2.424 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](c2ccc(F)cc2F)C1 1722727894 MFEWZYIQVQJNSB-DNVCBOLYSA-N 468.526 2.239 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2OC)nnc1N1C[C@@H](C)O[C@H](C)C1 1722732468 ZMPPQMFGNSDHOK-IAGOWNOFSA-N 450.561 2.080 30 10 JEEE C#CCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1740594552 QBJNDZJODDLGFS-DEOSSOPVSA-N 477.657 2.361 30 10 JEEE C#CCN(c1nnc(C2CCC2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1740623683 ZHGBCHSDOWPDNE-BJLQDIEVSA-N 463.648 2.060 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOC(C)(C)C 1740678664 GYBNUJZLTMGSIE-HXUWFJFHSA-N 493.605 2.205 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](CC)c3ccccc3)n2C[C@@H]2CCCN2CCCO)CC1 1740690351 ISRIUOOFTDZDRG-ZEQRLZLVSA-N 450.631 2.422 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2C[C@H]2CCCN2c2cc(NC)ncn2)CC1 1740702267 KLFNQMDGTHTNGA-AZUAARDMSA-N 479.633 2.258 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2CCN2CCN(Cc3ccccc3)CC2)CC1 1740702296 KWLXBMFUFNLOOI-UHFFFAOYSA-N 477.657 2.185 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H]2CCCSC2)CC1 1740703458 TXTOWKREPWMZKV-MBSDFSHPSA-N 461.632 2.039 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2Cc2ccc(OCCN(C)C)cc2)CC1 1740704880 ZVOKUVIAHQYLLT-UHFFFAOYSA-N 487.608 2.295 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@H](c2ccco2)N(C)C)CC1 1740707074 NQJXCYNAKMPJMS-OAQYLSRUSA-N 461.570 2.126 30 10 JEEE C=C(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1740781879 HENLLZBQDZMLRX-UHFFFAOYSA-N 492.628 2.241 30 10 JEEE C=CCC(C)(C)Cn1c(-c2ccc(OC)cc2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1740847021 UYUALAPNXCRONC-UHFFFAOYSA-N 494.600 2.023 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CCS(=O)(=O)C1 1740915024 RMMLCIKIWJTPCM-QPPBQGQZSA-N 485.610 2.429 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cnccn2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1740915820 UFDNLFPBVOJXJT-IBGZPJMESA-N 483.598 2.218 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1CCc1cccnc1)[C@H]1CCS(=O)(=O)C1 1748807649 AKNKGUBNHOLDPC-FQEVSTJZSA-N 481.578 2.227 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H]1CCCO[C@H]1C(C)C)[C@@H]1CCS(=O)(=O)C1 1748819331 NCQKMLWCDUJXPS-XJUOHMSHSA-N 471.627 2.342 30 10 JEEE C#CCN(c1nnc(CC2CCCC2)n1CCNC(=O)c1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1748820853 IZJHDFAPCYJWEP-JOCHJYFZSA-N 483.638 2.376 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1nnc(C(C)(C)C)s1 1748831492 OBSYTDKKWAUAIV-UHFFFAOYSA-N 497.650 2.466 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)(C)C)n2Cc2nnc3n2CCCCC3)n1 1748970350 ALDCOOLZVBOMFB-UHFFFAOYSA-N 465.606 2.425 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(F)c(COC)c2)CC1 1749009388 QPIXITNXLHWKKM-UHFFFAOYSA-N 463.517 2.035 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2cccc(CN3CCO[C@H](C)C3)c2)CC1 1749019486 VZNCTTDAGFWPIN-OAQYLSRUSA-N 494.640 2.049 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1749651290 RPWXTUGWKUDOPQ-IBGZPJMESA-N 496.591 2.305 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(CCOc2ccccc2Cl)CC1 1749669070 GZJJLHNZKACJNM-IBGZPJMESA-N 489.020 2.329 30 10 JEEE C=CCNC(=O)Cn1c(N(C)[C@@H]2CCSC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1749682074 NZHYXFKNMJEKNR-OWCLPIDISA-N 450.609 2.293 30 10 JEEE C=CCNC(=O)Cn1c(N2CCN(c3ccccc3C)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1749682347 SFRCAIXQOGYQQN-RUZDIDTESA-N 468.602 2.256 30 10 JEEE C#CCN(c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCOCCCO)[C@H]1CCS(=O)(=O)C1 1760182058 BCJXGEHXRLDFPV-NRFANRHFSA-N 474.627 2.268 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)N(CC)C(=O)OC(C)(C)C 1760242540 HDFCUXULZLJOAC-GOSISDBHSA-N 462.595 2.246 30 10 JEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCOc2ncccc2Cl)CC1 1760261631 UWMZGHCGHJWYBJ-UHFFFAOYSA-N 454.966 2.022 30 10 JEEE C=C(Cl)Cn1c(-c2cccc(Br)c2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1760367881 PUQMDYHPRUMRGL-UHFFFAOYSA-N 493.793 2.387 30 10 JEEE C=CCCOCCn1c(C(C)C)nnc1N1C[C@@H]2[C@@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1760445606 PWZLSKBLJRAPBS-SQNIBIBYSA-N 483.635 2.121 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(Cc1cccc(F)c1)C[C@H]1CCCO1 1760515266 UORSMVOIOVMCSF-HXUWFJFHSA-N 470.549 2.141 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)OC1CCCC1 1760522401 SHQZINYEYOEMSV-KRWDZBQOSA-N 464.567 2.199 30 10 JEEE Cc1nn(C)c(N2CCN(c3nnc(-c4cnccn4)n3CCCC(F)(F)F)CC2)c1C#N 1762399775 BKTICCKMPSHXRM-UHFFFAOYSA-N 460.468 2.318 30 10 JEEE N#Cc1ccccc1S(=O)(=O)N1CC[C@H](C(=O)N2CCN(C/C=C/c3ccccc3)CC2)C1 1858422169 NUQFVPFPAKLZAV-CJHOVAGGSA-N 464.591 2.426 30 10 JEEE CCOC(=O)CCN(CC)C(=O)NS(=O)(=O)c1ccc(CNC(=O)c2cccc(C#N)c2)cc1 1858661480 JBKKOVFWGULRHI-UHFFFAOYSA-N 486.550 2.162 30 10 JEEE COc1ccc([C@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2CCN2CCOCC2)cc1O 1862737480 HFOHXVILOCOVDX-NRFANRHFSA-N 483.477 2.220 30 10 JEEE COC(=O)c1ccc([C@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2CCCNC=O)cc1 1862745396 IDSLMHJUXRCXJF-IBGZPJMESA-N 467.434 2.096 30 10 JEEE O=C(C1=C(O)C(=O)N(CCCO)[C@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccc([N+](=O)[O-])cc1 1862762787 RVKHPILHKIIJGX-IBGZPJMESA-N 485.405 2.235 30 10 JEEE COc1ccc(-n2nnc(C#N)c2NC(=O)CN2C(=O)c3ccc(Br)cc3C2=O)c(C)c1 1870155425 MMKUVHDKJISGPH-UHFFFAOYSA-N 495.293 2.453 30 10 JEEE COCCOC(=O)COc1cn(C[C@@H](C)O)c(CSc2nc(C)c(C)c(C)c2C#N)cc1=O 1870274689 XVBAFIXEIRYXAY-CQSZACIVSA-N 475.567 2.282 30 10 JEEE C=CCn1cc(OCC(=O)NC[C@@H]2CCCO2)c(=O)cc1CNc1cccc(NC(C)=O)c1 1870983230 OOOAYNBIIWAZJA-NRFANRHFSA-N 454.527 2.279 30 10 JEEE CC(C)(C)N1C[C@@H](c2nnc(SCCO)n2/N=C/c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1=O 1874280751 ZOZFJGDQOFZFHJ-HYLGSWLWSA-N 490.542 2.039 30 10 JEEE C=CCn1c(C(=O)N(CCO)Cc2ccccc2)cc2c(NCCCN3CCOCC3)ncnc21 1875230381 XFESUDQYGRYJMB-UHFFFAOYSA-N 478.597 2.386 30 10 JEEE CC(=O)Nc1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)NCC#CCN2CCCCCC2)cc1 1890016977 OWCMPKXWDASOSY-QHCPKHFHSA-N 474.627 2.184 30 10 JEEE O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NCC#CCOc1cccc(C(F)(F)F)c1 1891681531 UHCBFINYWBBOSW-UHFFFAOYSA-N 461.352 2.408 30 10 JEEE Cc1ccc(N=C2SCCCN2C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1Cl 2059848758 IGKPVBFQJOBFOB-UHFFFAOYSA-N 460.947 2.049 30 10 JEEE CON(CCNC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2255951006 XRXBJRXLEKCDGA-UHFFFAOYSA-N 456.370 2.063 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)s1 2256614006 LDYZACLOJJVSIC-OAHLLOKOSA-N 452.382 2.299 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CC1CCC1)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2256673937 WSBARXMZQILMSW-CYBMUJFWSA-N 452.386 2.281 30 10 JEEE CN(Cc1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(=O)[C@@H](CO)CNC(=O)OC(C)(C)C 2256678863 RFCFNRQXDOAWJK-CQSZACIVSA-N 454.398 2.139 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H](O)C[C@@H](NC(=O)OC(C)(C)C)C2)s1 2267110173 ZXVVMGMSROVEFW-CABCVRRESA-N 466.409 2.456 30 10 JEEE Cn1nc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H]3C[C@@H]32)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2267501792 CVCLFRZXTFODDW-STQMWFEESA-N 466.775 2.207 30 10 JEEE CC(C)(C)OC(=O)N[C@H](C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)C1CC(F)(F)C1 2268681424 RRMYXLYBPDYSAT-NSHDSACASA-N 474.339 2.136 30 10 JEEE CC(C)(C)OC(=O)NC[C@]12CCC[C@@H]1CN(C(=O)c1cc(B3OC(C)(C)C(C)(C)O3)n[nH]1)C2 2281982500 NKVMVYQPZQDICP-CMJOXMDJSA-N 460.384 2.476 30 10 JEEE CC(C)(C)OC(=O)NCC1CC([S@@](C)(=O)=NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2281989272 XNJVYFQFIRBGJO-TUICBCIOSA-N 482.412 2.250 30 10 JEEE CC(C)(C)OC(=O)NC1CCN(CCNC(=O)c2occc2B2OC(C)(C)C(C)(C)O2)CC1 2282038021 COWISPACWBQKDQ-UHFFFAOYSA-N 463.384 2.298 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC2(CC1)CN(C(=O)OC(C)(C)C)C2 2282039679 YRGCSWVRMQEHAL-UHFFFAOYSA-N 460.384 2.192 30 10 JEEE CC(C)(C)OC(=O)N1CCC(NC(=O)c2csc(B3OC(C)(C)C(C)(C)O3)c2)(C(N)=O)CC1 2282059012 CODCFLXYEBDDDC-UHFFFAOYSA-N 479.408 2.032 30 10 JEEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)Nc1ccc(OCc2ccccc2)cc1 2282290037 LXWIDVRGHPYMPO-UHFFFAOYSA-N 470.360 2.494 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@]2(NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)c(F)c2)C1 2282326209 PDJKVDDDWBCFLR-PEBXRYMYSA-N 482.383 2.413 30 10 JEEE C[C@@H](CNC(=O)c1coc(B2OC(C)(C)C(C)(C)O2)c1)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 2282534852 ITYGNJRKBNSEFX-WNSKOXEYSA-N 464.368 2.317 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C3(CC3)C2)n1 2282543412 OOLUJQFZUKBRJB-OAHLLOKOSA-N 460.384 2.381 30 10 JEEE Cn1cc(C(=O)N[C@H]2[C@@H]3[C@@H]2CCCCN3C(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2282552399 QDURHAXRLWHPSI-OIISXLGYSA-N 460.384 2.237 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H](NC(=O)OC(C)(C)C)C1CCC1 2282582214 TVBRKEGUQREYQJ-MRXNPFEDSA-N 462.400 2.451 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1 2282588470 GHUCVLBDDMVGIQ-WKILWMFISA-N 462.400 2.451 30 10 JEEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C2(CC2)C1 2282830660 YCLHEECWALQRAP-UHFFFAOYSA-N 479.408 2.155 30 10 JEEE COCC[C@H](CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1C)NC(=O)OC(C)(C)C 2285200011 USHVCVDRVBTMSB-QGZVFWFLSA-N 463.384 2.349 30 10 JEEE O=C(N[C@@H]1CCNC[C@@H]1C(=O)C=Cc1ccc([N+](=O)[O-])s1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 2328198395 MQJSXRGXBMOWLU-JKSUJKDBSA-N 475.439 2.463 30 10 JEEE COc1nc(N2C[C@H]3OCCN(Cc4ccccc4)[C@@H]3C2)ccc1B1OC(C)(C)C(C)(C)O1 2365343924 HDYPULQGPUBUPK-NHCUHLMSSA-N 451.376 2.479 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)[C@H](C)S(=O)(=O)CC(=O)Nc3ccccc3OC)cc21 19951388 FWNSMEAEOZMJRT-HNNXBMFYSA-N 472.519 2.231 30 10 JEEE C=CCn1c(Sc2nc3c([nH]2)c(=O)n(C)c(=O)n3C)nnc1-c1ccc(Br)cc1 20427980 PHPZTWSHNDHHSW-UHFFFAOYSA-N 474.344 2.319 30 10 JEEE Nn1c(N/N=C/c2cc(Br)ccc2O)nnc1SCC(=O)Nc1ccccn1 21319232 DTMFDRLELOEQEL-DNTJNYDQSA-N 463.321 2.032 30 10 JEEE CCn1cc(/C=N/Nc2nc(SCC(=O)Nc3cc(OC)c(OC)c(OC)c3)n[nH]2)cn1 59311929 DQFJYLJYEWICKS-DNTJNYDQSA-N 460.520 2.224 30 10 JEEE COc1cccc([C@H]2c3c(nc(NCc4ccc5c(c4)OCCO5)[nH]c3=O)NC(=O)[C@H]2C#N)c1O 72472573 UBVHHIWBRHKAEH-KBXCAEBGSA-N 475.461 2.091 30 10 JEEE COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccnc2)cc1OC 102510315 CCCYCHHHIHVGQS-RKKARLDVSA-N 467.522 2.243 30 10 JEEE COc1cccc([C@H]2/C(=C(/O)c3c(C)nn(C)c3C)C(=O)C(=O)N2CCCN(C)C)c1OC 102757391 YWIVPZWQIBYXGL-LCPUNJGISA-N 456.543 2.428 30 10 JEEE C#Cc1cccc(-n2c(=C(C#N)C(=O)Nc3ccccn3)sc(=Cc3cnn4ccccc34)c2=O)c1 729672472 PVQHOFUOFKGLRU-UHFFFAOYSA-N 488.532 2.065 30 10 JEEE C#CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCn1cc(C(=O)O)nn1 757362228 YIPPIOZUNWHAMX-OAQYLSRUSA-N 473.489 2.023 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)N2CC[C@@](COC)(C(=O)OC(C)(C)C)C2)ccc1F 1151181649 DXPOGYYPWZLVCX-OAQYLSRUSA-N 456.536 2.110 30 10 JEEE C=C(Cl)CNC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCN(C)CC1 1214196374 IBPLCRFLXGZNJM-UHFFFAOYSA-N 456.012 2.487 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1286273630 FRDXCLOOSHKNAA-VAPDBKPJSA-N 467.614 2.392 30 10 JEEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 1286381088 LIAYPESQBKNSHR-VABKMULXSA-N 453.587 2.363 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCN1CCOC1=O 1286433293 QCMNWGQEFMBSSE-KDURUIRLSA-N 470.574 2.354 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CCO[C@@H]1C 1286434322 JJUFRPPCWSNECX-YDIMBITNSA-N 457.575 2.353 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1Cc1ccc(N2CCC(CO)CC2)cc1 1286468153 ZVNGUDDQNHVGSU-QFIPXVFZSA-N 453.587 2.125 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC(C)(C)SC)CC1 1286473922 VUTBTRYDSFYDEV-UHFFFAOYSA-N 476.672 2.092 30 10 JEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 1286503905 GVXSFYCVDVUQPI-LJQANCHMSA-N 458.632 2.071 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1286547457 GFALKRKEOROJOK-MSOLQXFVSA-N 498.550 2.390 30 10 JEEE C=C(C)Cn1c(-c2cccc(C)n2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1286592312 YLNTVJSJYGRCOG-UHFFFAOYSA-N 451.575 2.165 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1CCS(=O)(=O)CC1 1286762329 FCZAPOLANXTOOV-OAQYLSRUSA-N 492.667 2.240 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1286789127 PEYUMZGCECAXKA-UHFFFAOYSA-N 476.972 2.418 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H]1[C@H]1CCCO1 1286790876 KICSQPBJQVHRFD-CEXWTWQISA-N 490.605 2.037 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(F)ccc3Br)n2CCS(=O)(=O)NC)C1 1286803464 ICIPZCPERGTDGF-CQSZACIVSA-N 488.383 2.177 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(c2oc(C3CC3)nc2C#N)CC1 1286817193 KMQZHPBVQDQBJL-UHFFFAOYSA-N 459.576 2.066 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N(C)Cc1ccc2c(c1)OCCO2 1286821214 DFZJMFUTUXJVHK-UHFFFAOYSA-N 469.567 2.272 30 10 JEEE CC(C)(C)OC(=O)N1CC(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@@H](C(N)=O)C2)C1 1287050198 DYTPWIUKQJNTFA-LJQANCHMSA-N 495.584 2.297 30 10 JEEE CCOC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(N(C)C)CCC2)CC1 1296381439 FOWBPMOZIFOCKB-UHFFFAOYSA-N 467.574 2.492 30 10 JEEE CN(C)C(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1297969733 CUFHLRNWJJRYFI-OAQYLSRUSA-N 463.586 2.428 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(NC(=O)OC(C)(C)C)COC1 1300282291 HBIDOKCCJCNMHQ-MRXNPFEDSA-N 489.598 2.100 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1300478825 CKXVIOFQWWYVTA-HXUWFJFHSA-N 478.578 2.185 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C(=O)N(CC)CC)cc1 1300579549 WVNKLGAGLOXJPT-QFIPXVFZSA-N 481.622 2.173 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@H](C2CCCCC2)N(C)C)CC1 1300726178 MISIPCMIDJOQJQ-FCHUYYIVSA-N 456.635 2.258 30 10 JEEE COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(OC)CCCCC2)CC1 1300879925 FRXZDDNZTSILLG-UHFFFAOYSA-N 452.559 2.461 30 10 JEEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)c2ccco2)CC1 1301259435 LLSQKYOGWJQTHX-UHFFFAOYSA-N 453.547 2.288 30 10 JEEE COC[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1301281390 ANPHFPOYSIZTHL-MOPGFXCFSA-N 459.572 2.026 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1301506728 PXECFOOCVGSODW-GOSISDBHSA-N 458.538 2.414 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](COc2ccccc2)C1 1301589758 WLPJGMJIDMHVDG-TZIWHRDSSA-N 476.599 2.057 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2C[C@]2(OC)CCOC2)c1 1358902730 XJQXOGPZWNRMRD-YADARESESA-N 453.543 2.034 30 10 JEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1358904845 MZMQPSMJIYTVBW-SQNIBIBYSA-N 482.651 2.431 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@](C)(O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1358967877 UUWBIPODYCBGQX-XXBNENTESA-N 460.600 2.199 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCCc3cc(OC)ccc32)CC1 1359028094 HCXLEGSVGQNQRW-HXUWFJFHSA-N 450.587 2.300 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2C[C@H]2COCCO2)CC1 1359041371 URRAIXDYKIALQQ-CVDCTZTESA-N 497.596 2.198 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(C)nc4ccccc34)n2CC(=O)NCCC)CC1 1359041543 ABQALAZJWMEPJE-UHFFFAOYSA-N 473.581 2.294 30 10 JEEE C=C(C)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1359117998 IECNCVNFSGFMFA-SFHVURJKSA-N 459.620 2.427 30 10 JEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 1359135341 AHMFHTGAZPNXEZ-GOSISDBHSA-N 462.595 2.487 30 10 JEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2ccc(Cl)nc2C1 1359227640 HCKFKUWMMJRCFM-MRXNPFEDSA-N 451.980 2.384 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1359296068 WAAPEODXDOBOOK-HKUYNNGSSA-N 471.514 2.157 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@](F)(C#N)C1 1359299254 ACZVXPYYWWUBDP-OPAMFIHVSA-N 461.542 2.137 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@H](C)c1sc(CC)nc1C 1359332182 QWDQSZRWQOAVCU-HUUCEWRRSA-N 466.633 2.355 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCCN(c2ccccc2)CC1 1359332521 ZNXGFXKVUZYGAH-FQEVSTJZSA-N 459.616 2.490 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H]1CCOC1 1359335987 AMVTUWNTCILDAZ-SJORKVTESA-N 469.608 2.176 30 10 JEEE CC(C)(C)c1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CCS(=O)(=O)C2)cc1 1359497812 FDYCDHIBKFRCIA-FXAWDEMLSA-N 473.599 2.318 30 10 JEEE CC(C)c1nnc(N2CCCN(c3ccccc3C#N)CC2)n1C[C@H]1CCCN1S(C)(=O)=O 1359712021 BPLDSFVYHXFNCC-HXUWFJFHSA-N 471.631 2.414 30 10 JEEE C[C@H](CN(C)C(=O)OC(C)(C)C)Cn1c(Cc2ccncc2)nnc1N1CCO[C@H](C#N)C1 1360514998 DBMCORHTLDWNPZ-IEBWSBKVSA-N 455.563 2.496 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@@H](c1cccc(F)c1)N(C)C 1360677755 GTDZSUPVAXAYFV-JXFKEZNVSA-N 477.610 2.460 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1Cc1cccnc1OCC(F)F 1360677801 HEKTVOZOMVHQES-CQSZACIVSA-N 483.545 2.106 30 10 JEEE C#CCN(C(=O)c1cc(S(=O)(=O)Nc2ccccc2OC)ccc1O)C1CCN(C)CC1 1456169169 LJHCNRKWMUSYFG-UHFFFAOYSA-N 457.552 2.371 30 10 JEEE Cc1ccccc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(C#N)C1 1492593964 FIBFQUHUXMLJPI-KNQAVFIVSA-N 458.588 2.098 30 10 JEEE CCO[C@]1(c2nnc(N3CCC(C#N)CC3)n2CCNC(=O)Cc2cccc(F)c2)CCOC1 1502668168 CLQOZPUSFBAMPV-XMMPIXPASA-N 470.549 2.168 30 10 JEEE COC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCCCC2)CC1 1503900397 HLVZGEOWLKANID-UHFFFAOYSA-N 467.574 2.493 30 10 JEEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)c2c(F)cccc2F)CC1 1507592683 CSINJYLPSCOWPT-UHFFFAOYSA-N 456.497 2.055 30 10 JEEE C#CCCCn1c(N2C[C@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1507598156 CLPLNVCOPJHQFD-POGFHVCPSA-N 486.661 2.111 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@H](CC)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1507634258 YDENPEIWYHXVLX-FHWLQOOXSA-N 495.646 2.450 30 10 JEEE C=CCCOCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1507966869 CZJKYEYCQXPTFP-XMMPIXPASA-N 468.606 2.007 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@](C)(OC)CC1 1508073132 MDCRILYYCHGAKO-QFIPXVFZSA-N 461.588 2.046 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC[C@H](C(=O)NC)C1 1508075718 ZKKDSBQQOLJUQV-CVEARBPZSA-N 456.616 2.396 30 10 JEEE CC(C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@H](N1CCOCC1)C(F)(F)F 1508999443 BDZUPLLAJIBIIN-AEFFLSMTSA-N 493.538 2.041 30 10 JEEE CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)N2CCN(CC)CC2)CCN1CCOC 1514137188 DLKIBXWCEZWJAP-WIOPSUGQSA-N 494.688 2.390 30 10 JEEE C=CCN(C(=O)c1ccc(=O)n(CCOc2ccccc2Cl)c1)[C@@H]1CCS(=O)(=O)C1 1537469422 RWGNIUPGFCFMJI-QGZVFWFLSA-N 450.944 2.396 30 10 JEEE N#Cc1ccc(OCc2cccc(C(=O)NCCS(=O)(=O)NC[C@@H]3CCCCO3)c2)cc1 1538354598 CNIOWNWEMAYOJB-QFIPXVFZSA-N 457.552 2.356 30 10 JEEE C#CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(CCS(C)(=O)=O)C1CC1 1539115705 GRSLFYQSQPVDMF-UHFFFAOYSA-N 468.583 2.102 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1C[C@](C)(O)C1CC1)[C@H]1CCS(=O)(=O)C1 1539205314 GQCFCLYYVRRPAP-JTSKRJEESA-N 480.537 2.334 30 10 JEEE C#CCN(c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC(=O)NCCC)[C@H]1CCS(=O)(=O)C1 1539212148 NCVXHZGHODPCJS-FQEVSTJZSA-N 471.627 2.396 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(OC)cc3)n2CC2(N(C)C)CCC2)CC1 1539488908 OYKGYAXMRWYOSW-UHFFFAOYSA-N 480.613 2.316 30 10 JEEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1539513634 LLNDMGBMPRSIOA-HXUWFJFHSA-N 470.599 2.428 30 10 JEEE Cc1c(S(N)(=O)=O)sc(C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)c1Cl 1539590019 BMDGXBFKDCGTQN-UHFFFAOYSA-N 455.949 2.057 30 10 JEEE C=C(C)COCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCNC(=O)[C@H]1CC 1539721521 BHFLCNAMODUIKQ-GOSISDBHSA-N 460.966 2.169 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1539915520 BRQZSYXHQXWYBC-OALUTQOASA-N 451.637 2.084 30 10 JEEE C=CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1)c1ccccc1 1539939835 KSNNNHUBYFVVGJ-SYYKKAFVSA-N 483.642 2.425 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1540865575 LFQQSFWJEGHGFM-DOTOQJQBSA-N 473.375 2.033 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(Cc2ccc(OCC)cc2)CC1 1540868181 VCPAYNKQXCFBFA-UHFFFAOYSA-N 461.570 2.363 30 10 JEEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(c2nnc3n2CCCC3)CC1 1540910146 ZAEVKZTUFVRWDM-MRXNPFEDSA-N 494.691 2.119 30 10 JEEE COc1ccc(C[C@@H](C)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1OC 1543120657 CGOPDVIJVLIVKB-QGZVFWFLSA-N 457.552 2.287 30 10 JEEE C#CCN([C@@H]1CCOc2ccc(Br)cc21)S(=O)(=O)c1cc(C(N)=O)n(C)c1 1561260841 OSDHOCHJTGVXOC-OAHLLOKOSA-N 452.330 2.034 30 10 JEEE C[C@@H]1CCN(CCOc2ccc(NC(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)cc2)C1 1566172822 FWJSUVUQCMNSEZ-QGZVFWFLSA-N 456.568 2.475 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(OC(F)(F)F)cc1 1588140363 VYRIJQUONMEQRR-KRWDZBQOSA-N 466.485 2.394 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C(C)(F)F)c1 1588233967 XGCGPPZTNCHLQO-HXUWFJFHSA-N 491.564 2.234 30 10 JEEE C#CCN(CCOC)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc2c(c1)COC2 1588672286 CZSOILYQFZZBBO-UHFFFAOYSA-N 451.552 2.434 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N(C)CC(=O)NC(C)(C)C 1595517166 RDXJIBZNGWCTPG-UHFFFAOYSA-N 463.380 2.361 30 10 JEEE C#CCCN1CCC(NC(=O)c2cc(S(=O)(=O)Nc3ccc(OC)cc3)ccc2O)CC1 1618544848 CNZHUAOTFFVUQX-UHFFFAOYSA-N 457.552 2.419 30 10 JEEE COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1CCn1c(C)nc2ccccc21 1619909713 HMEFMZHJYHONFF-UHFFFAOYSA-N 450.547 2.239 30 10 JEEE CCS(=O)(=O)N[C@H](CCSC)C(=O)N1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 1634564656 FWMSKFQCQZSKSL-QZTJIDSGSA-N 459.037 2.110 30 10 JEEE C=CCN(CCc1ccco1)CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 1657972184 NROISEIITOYAFE-UHFFFAOYSA-N 457.596 2.332 30 10 JEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC2CCN([C@H]3CCCC[C@H]3O)CC2)cc1 1673392120 FCVQPKYSLSCZAG-LEWJYISDSA-N 450.605 2.383 30 10 JEEE C=C[C@@H]1OCC[C@H]1CNC(=O)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1682167017 KRBBHWCGGBPLDX-NBYUQASBSA-N 477.606 2.155 30 10 JEEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1(C(=O)N(C)C)CCCC1 1690103463 DAKCUQDWYWWOPS-UHFFFAOYSA-N 494.644 2.187 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1[C@H]1C[C@H](c2ccccc2C)C1 1690104055 LNHLYHLUGILUHE-ONTIZHBOSA-N 487.626 2.124 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2Cc2c(CC)nn(C)c2OC)CC1 1690150606 NUXGQTBKYDZAEC-UHFFFAOYSA-N 481.626 2.249 30 10 JEEE C#CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(C(=O)OC)CC1 1690170502 LAYVHKHMXLGOKH-UHFFFAOYSA-N 452.540 2.350 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCOc1ncccc1Cl 1690192997 GQODVLVWPDHQQT-IFXJQAMLSA-N 452.968 2.008 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)c(Br)c2)n1CCNS(C)(=O)=O 1690198448 OECXTLVOMJRATR-LJQANCHMSA-N 482.404 2.258 30 10 JEEE C=C(C)CN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1(S(C)(=O)=O)CC1 1690264891 GDHRQCOEKBBMNU-UHFFFAOYSA-N 459.620 2.432 30 10 JEEE C=C(C)COCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCCN(C(C)=O)CC1 1690309519 CEOSZLWQVNDSAP-UHFFFAOYSA-N 479.585 2.326 30 10 JEEE C=C(C)COCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(CC(C)C)C(=O)C1 1690309697 HTDNUZSZEPWSNO-UHFFFAOYSA-N 489.646 2.136 30 10 JEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccccc2CN2CCOCC2)CC1 1690397203 XZCJOOUZSHAYPD-IBGZPJMESA-N 488.658 2.171 30 10 JEEE C=CCCOCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1690503295 XGNLFTSHLKIDMO-UHFFFAOYSA-N 470.574 2.121 30 10 JEEE C=CCn1c(-c2cccc(Br)c2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1690629692 AOVKUEULIHHICK-UHFFFAOYSA-N 461.364 2.067 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1690664439 SRYYSUHUGRZVAK-NRFANRHFSA-N 465.602 2.392 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 1690722615 PPCHXYFCCDBRAC-KRWDZBQOSA-N 478.619 2.330 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCO[C@@H](COC(C)C)C1 1690724159 JDEZIIGQYONVCK-NQIIRXRSSA-N 492.598 2.022 30 10 JEEE CC[C@H](C)[C@@](C)(O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@H](C#N)C1 1693928031 FYGNOFLSEAKEMQ-REDKUUPNSA-N 460.966 2.387 30 10 JEEE COC(=O)N1CCC(Cn2c(CCc3ccc(OC)cc3)nnc2N2CCO[C@H](C#N)C2)CC1 1697072978 HTLKJDRPYCRHBL-OAQYLSRUSA-N 468.558 2.279 30 10 JEEE C#CCCCn1c(N(CCS(C)(=O)=O)C2CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705539614 XBLORCJDURTJAZ-CALCHBBNSA-N 465.620 2.476 30 10 JEEE C#CCN(c1nnc(CSc2ccc(C)cc2)n1CC1([S@](C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1705571783 IEQUVCGDRIUFRX-DRKIFQHWSA-N 492.692 2.417 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(N3CCO[C@@H](C)C3)nc2)CC1 1705644224 JJTRWVWNTRXVGC-IBGZPJMESA-N 479.629 2.210 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC2CC(F)(F)C2)CC1 1705652725 LBEJBZICNGOJDR-ROUUACIJSA-N 451.518 2.013 30 10 JEEE C#CCSCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCO[C@@H](C(=O)NC)C1 1705653219 BZVDRVONJLVBPP-UYAOXDASSA-N 457.600 2.353 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CCOC(C)C)CC1 1705693513 HLPIOPFIJULAOY-LEWJYISDSA-N 460.623 2.042 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCS(C)(=O)=O 1705716487 MNMPPNPYWKNQMZ-QGZVFWFLSA-N 471.624 2.424 30 10 JEEE C=CCCCn1c(C(=O)NC(CC)CC)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1705810849 JLHBEQIZAPEGCB-RXVVDRJESA-N 459.639 2.152 30 10 JEEE C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ccccc1Cl 1706746991 HCAIJLMEIOFBFE-CRAIPNDOSA-N 482.994 2.082 30 10 JEEE COc1ccc(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CC[C@@](F)(C#N)C2)c(OC)n1 1711837833 FRWVUBCLHBHNLM-JOCHJYFZSA-N 486.529 2.251 30 10 JEEE COc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCCN2C[C@H](C)O[C@H](C)C2)cc1 1711884841 HSVQNZKXLCPVOL-JQVVWYNYSA-N 470.574 2.094 30 10 JEEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCCC(C)(C)C2)CCN1S(C)(=O)=O 1712845829 HPKFBYPFUYVDEE-IBGZPJMESA-N 485.658 2.409 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2CCCN2CCC(O)CC2)c1 1722304733 FCSKLLWYUPDGPD-UHFFFAOYSA-N 473.581 2.243 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCc1cccnc1)[C@@H]1CCS(=O)(=O)C1 1722359844 WMAYTHXEVGKTDG-JOCHJYFZSA-N 492.605 2.412 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H]2CCCCN2CC)CC1 1722430908 CCXDTROLHNOSDU-QFIPXVFZSA-N 484.048 2.491 30 10 JEEE C=C(Br)Cn1c(COc2ccc(F)cc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1722489859 OBTQHTVDUOQNJJ-UHFFFAOYSA-N 493.337 2.425 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N(C)CCN2C[C@H](C)O[C@H](C)C2)nnc1[C@]1(OCC)CCOC1 1722501831 QHLPHUSHOGEICF-AXCBGKTRSA-N 477.650 2.457 30 10 JEEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1722536732 ZIPDZADNBBJXTC-VGSWGCGISA-N 461.588 2.247 30 10 JEEE C=CCNC(=O)Cn1c(N2Cc3ccccc3O[C@@H](C)C2)nnc1[C@]1(OC(C)C)CCOC1 1722704205 QFWFYGNHGAGNLF-UUOWRZLLSA-N 455.559 2.408 30 10 JEEE CC(=O)N1CCN(CCn2c(COc3ccc(C#N)cc3)nnc2N(C)Cc2scnc2C)CC1 1722798393 DADYRPYXUIGKRS-UHFFFAOYSA-N 494.625 2.294 30 10 JEEE CCN(CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@](F)(C#N)C1)C1CC1 1728501741 HOXHZESIFVWURM-JOCHJYFZSA-N 475.594 2.122 30 10 JEEE CCO[C@@]1(c2nnc(N(C)Cc3cccc(C#N)c3)n2C[C@H](C)N2CCOCC2)CCOC1 1728764867 GEMZAZNLUABSLM-CYFREDJKSA-N 454.575 2.159 30 10 JEEE COc1cc(-c2nnc(N(C)[C@@H](C)CC#N)n2C[C@@]2(O)CCS(=O)(=O)C2)ccc1OC(C)C 1729961346 FKSSEGVOWUTULF-AOMKIAJQSA-N 477.587 2.029 30 10 JEEE C#CCN(c1nnc(CCOc2ccccc2)n1C[C@@](C)(O)c1ccco1)[C@H]1CCS(=O)(=O)C1 1740626019 UVRVLLKAMCSUQI-YADARESESA-N 484.578 2.027 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@@H]1CSCCS1)[C@H]1CCS(=O)(=O)C1 1740627779 KMPHVVLHOPXOGU-PKOBYXMFSA-N 496.655 2.472 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCN(C)C(C)C 1740640915 ZDFNLGSAGBCREG-FQEVSTJZSA-N 458.607 2.390 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(OC)cc3)n2CCc2nnc(C)s2)CC1 1740707982 YFHVWEGEDZVOGK-UHFFFAOYSA-N 495.609 2.234 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1740952636 JWCCYQQKKMAPIO-YCRPNKLZSA-N 476.375 2.394 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CC(=O)NC(C)(C)C 1740965388 OQHMLCNFUCIHTA-INIZCTEOSA-N 477.610 2.003 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCN([C@@H](C)c2nc(CC)no2)CC1 1740989452 NFGOAEDUCQLODW-SFHVURJKSA-N 485.614 2.375 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CC(C)(C)C(=O)NC 1744104345 CPVIQUGDIIFTOK-UHFFFAOYSA-N 494.644 2.163 30 10 JEEE CCNC(=O)C(C)(C)Cn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1746484938 BRNIPSGUNKOPAO-VQTJNVASSA-N 452.559 2.394 30 10 JEEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCO[C@@H](C)C2)C1 1746536709 HUGMRYDRCVTERI-ILZDJORESA-N 458.588 2.150 30 10 JEEE CCOc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H]2CC(=O)N(CCOC)C2)cc1OC 1746788638 FRJKERYGDRJCID-OSPHWJPCSA-N 486.548 2.289 30 10 JEEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@](C)(O)C2CC2)c1 1747600832 HHOCCFFNZYBIOE-GOTSBHOMSA-N 472.615 2.486 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2CC2CCN(C(C)=O)CC2)c1 1748695113 XGHMPESLPQAVOT-UHFFFAOYSA-N 452.559 2.129 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1Cc1cnc(C)s1)[C@H]1CCS(=O)(=O)C1 1748809265 RAHDDUMALLXODU-KRWDZBQOSA-N 457.581 2.394 30 10 JEEE C#CCSCCn1c(N2CC[C@@H]3NC(=O)OC[C@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1749049657 NGUBSJSXDZOYIM-BDXSIMOUSA-N 490.630 2.350 30 10 JEEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1749241249 HIPADNOVJOTTRI-GREBRCKQSA-N 460.579 2.080 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1nnc(C)s1 1749540875 DGQIZUOPUVHTLQ-ZDUSSCGKSA-N 465.580 2.428 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H]1CSC 1749668933 GQJKLGOZWKBZIB-IRXDYDNUSA-N 480.635 2.221 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCN(Cc2cc(C)no2)CC1 1749677991 RJZYZUCECITSJV-UHFFFAOYSA-N 479.585 2.395 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)O[C@H](c2ccsc2)C1 1760155385 XAJCMFDTJFNIQA-WDSOQIARSA-N 479.628 2.052 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1CCCN(C)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1760190781 YZOIHFZCQQYNNM-SFHVURJKSA-N 490.630 2.167 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(F)ccc3Br)n2CCNC(=O)C(C)C)CC1 1760254653 DPBLYTWKJDDIRK-UHFFFAOYSA-N 477.382 2.374 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccc(C)c(OC)c2)CC1 1760255884 BLUHMJDNIKDRDH-RUZDIDTESA-N 453.587 2.439 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3OCC)n2Cc2cnccc2OC)CC1 1760264954 ZWZKKHOBVKSQFK-UHFFFAOYSA-N 462.554 2.463 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@H](C)N2CCOCC2)CC1 1760267692 WRCAMJAMKXENHY-KRWDZBQOSA-N 488.995 2.424 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2CCC(=O)NC(C)(C)C)CC1 1760267792 AMQUBINFMZBJBX-UHFFFAOYSA-N 454.550 2.355 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OC)n2CC2(O)CCCC2)CC1 1760273378 QYDRSYUHTROMPA-UHFFFAOYSA-N 467.570 2.137 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 1760312842 FLGICRZWLQTJNW-KSZLIROESA-N 473.578 2.482 30 10 JEEE C=C(C)COCCn1c(-c2cccc3cccnc23)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1760353102 HGWYCWWDYMZTMC-UYAOXDASSA-N 451.527 2.446 30 10 JEEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2nc(CC)ns2)CC1 1760380831 PCTAHPMGVCAMEV-HOCLYGCPSA-N 454.000 2.495 30 10 JEEE C=CCN(CC=C)c1nnc(-c2noc3c2COCC3)n1Cc1ccccc1S(=O)(=O)N(C)C 1760494583 OYNPHXFEDUMLHF-UHFFFAOYSA-N 484.582 2.483 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](NC(=O)CC)C1 1760552958 HGJHBSBIQAPLKM-INIZCTEOSA-N 466.995 2.089 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC(Oc2cc(C)ccn2)CC1 1760556200 WVGZTRIEGBCFFU-SFHVURJKSA-N 461.588 2.134 30 10 JEEE CCN(C)C(=O)Cn1c(Cc2ccccn2)nnc1N1CCCN(c2ccccc2C#N)CC1 1764692064 DMVWHCLLBPHYDM-UHFFFAOYSA-N 458.570 2.331 30 10 JEEE COc1cc(OC)cc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@]2(N(C)C)CCSC2)c1 1768388517 CNYZVZMEGSIPBQ-DENIHFKCSA-N 458.588 2.128 30 10 JEEE COCC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)c2cccs2)CC1 1769151114 HISFASIKAXWYSV-UHFFFAOYSA-N 493.593 2.040 30 10 JEEE Cc1ccc(S(=O)(=O)Nc2nnc(CCC(=O)Nc3ccccc3C#N)c(O)n2)cc1C 1860873659 NPSKBMDXNHCXGE-UHFFFAOYSA-N 452.496 2.438 30 10 JEEE C=CCNC(=O)[C@H]1C[C@H](O)CN1C(=O)c1ccc2nc(-c3cc(OC)c(OC)c(OC)c3)[nH]c2c1 1861424068 BQHUZDGRJCEEPR-QFBILLFUSA-N 480.521 2.133 30 10 JEEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccc2c(c1)OCCO2 1862610510 NBMARMUQMFINOQ-YEJXKQKISA-N 453.447 2.188 30 10 JEEE C=CCn1c(C(=O)N2CCN(C(C)=O)CC2)cc2c(NC[C@@H](c3ccc(O)cc3)N(C)C)ncnc21 1875231356 KGFQPUHAVAUOIA-QHCPKHFHSA-N 491.596 2.342 30 10 JEEE Cc1cncnc1N1CCN(C(=O)[C@@H]2SCC(=O)N(C(C)C)[C@@H]2c2ccc(C#N)cc2)CC1 1889546940 FDPIAUWENJRRMP-FGZHOGPDSA-N 464.595 2.399 30 10 JEEE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 2000534724 WTFIAGUFVNMDFO-YADARESESA-N 484.553 2.051 30 10 JEEE CSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2060623196 JOHCNDLVPLUQSX-CQSZACIVSA-N 452.386 2.361 30 10 JEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)N1CCC[C@@H](B2OC(C)(C)C(C)(C)O2)C1 2180985769 SWJCMHFVAHDOBD-SJORKVTESA-N 486.440 2.495 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)[C@H](O)C1 2255608955 CECAXPBRVXKOAV-LSDHHAIUSA-N 452.382 2.147 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@](C)(CNC(=O)c2occc2B2OC(C)(C)C(C)(C)O2)C1 2267178528 DGSOTUAQTMYCRM-QFIPXVFZSA-N 450.341 2.335 30 10 JEEE CCn1cc(C(=O)NCC(F)(F)CNC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2267185504 WFPQIBHTAWPERH-UHFFFAOYSA-N 458.315 2.092 30 10 JEEE CCC[C@@H](CNS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1)NC(=O)OC(C)(C)C 2267346553 CVPZEUFRNMCRQO-INIZCTEOSA-N 469.413 2.353 30 10 JEEE Cc1ccc(S(=O)(=O)N[C@H]2CON(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2267352678 MDTKYGWYPNOSDL-OAHLLOKOSA-N 468.381 2.123 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1[C@@H]2CN(S(=O)(=O)c3cccc(B4OC(C)(C)C(C)(C)O4)c3)C[C@@H]21 2267372665 RQMMZRQEPUPFFV-PIIMJCKOSA-N 464.393 2.129 30 10 JEEE Cc1c(C(=O)NCCC(C)(C)NC(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2267505868 OVSLBLMRHZRYEG-UHFFFAOYSA-N 450.389 2.451 30 10 JEEE CC(C)(C)OC(=O)NCc1nnc(NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)o1 2267713409 BLGXTKSXBCOSNA-UHFFFAOYSA-N 486.381 2.256 30 10 JEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N(Cc1ccccc1)C[C@@H]1CCCO1 2267713438 OKWSCCVMYDPLQN-SFHVURJKSA-N 461.393 2.089 30 10 JEEE C[C@@H](c1nscc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)O 2268639370 OCCTZVXGJPJKKN-WOSRLPQWSA-N 469.413 2.236 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](C(=O)NCC=CB2OC(C)(C)C(C)(C)O2)S(=O)(=O)C(C)(C)C1 2268779030 APTDWFSMXXFIPG-HNNXBMFYSA-N 472.413 2.103 30 10 JEEE CCc1nn(C)c(C(=O)N[C@H]2CCC[C@H]2NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2281992914 TVOQIEOJXDYYHT-JKSUJKDBSA-N 462.400 2.457 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2Cl)[C@H](O)C1 2281996522 POAIHXFGIULONS-HZPDHXFCSA-N 481.786 2.134 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H]3CN(Cc4ccccc4)C[C@@H]3C2)n1 2282010514 YEOPCHIBGOPACI-WOJBJXKFSA-N 450.392 2.406 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)OC(C)(C)C1 2282063433 LQEAOQILVNJWFL-INIZCTEOSA-N 463.384 2.458 30 10 JEEE CC(C)(C)OC(=O)N1[C@H](CNC(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)C[C@H]2COC[C@H]21 2282195513 NQLINHICXMMSIT-YQQAZPJKSA-N 462.352 2.333 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@]1(C)CNS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282351810 GPCMWPNVEYBBJA-JOCHJYFZSA-N 481.424 2.449 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](NS(=O)(=O)Cc3ncsc3B3OC(C)(C)C(C)(C)O3)C[C@H]21 2282493078 RNFQCLUSSMMPIT-IIAWOOMASA-N 499.464 2.260 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC2([C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)n1 2282554363 CKLYTOYILLDLBM-OAHLLOKOSA-N 460.384 2.239 30 10 JEEE Cc1ccnc(C(=O)N2CCOC[C@H](NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2282573011 UAPIRBMYSLOYJP-MRXNPFEDSA-N 461.368 2.055 30 10 JEEE Cn1cc(C(=O)NC[C@H]2CC(C)(C)CN2C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2282577229 BNHLXUPZRRXUPU-OAHLLOKOSA-N 462.400 2.485 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](CNC(=O)c3nccnc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2283055249 FSVNFZFSCOXTLW-PMPSAXMXSA-N 458.368 2.009 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1(C)C 2283071651 HMFYLJDFSDPNCH-GJZGRUSLSA-N 460.384 2.445 30 10 JEEE CC(C)(C)OC(=O)N1CC(C)(OCC(=O)N=c2ccc(Cl)c(B3OC(C)(C)C(C)(C)O3)[nH]2)C1 2283984514 XCICTVRFNZNBMN-UHFFFAOYSA-N 481.786 2.421 30 10 JEEE C[C@H](NC(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O)c1nscc1B1OC(C)(C)C(C)(C)O1 2284012501 WRCUXJCHFHWQQG-LZWOXQAQSA-N 481.424 2.237 30 10 JEEE CCCNC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1N=Cc1ccc2c(c1)OCCO2 2329013023 DHMAKSMQOGOESV-KRWDZBQOSA-N 486.598 2.274 30 10 JEEE CN(C[C@H]1CN(C(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)CCO1)C(=O)OC(C)(C)C 2337397765 GYDZTOCKTYYEOA-AWEZNQCLSA-N 467.397 2.150 30 10 JEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@](C(=O)O)(N2CCN(Cc3ccccc3)[C@H](C#N)C2)C1 2346931356 PPJTXQYARNHEBM-JXALWOEJSA-N 458.559 2.176 30 10 JEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](C(=O)N2CC[C@@H]3C[C@]3(B3OC(C)(C)C(C)(C)O3)C2)C1 2357524435 OGNUHXRHSYYFLZ-MCFFVMPBSA-N 484.424 2.105 30 10 JEEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(B3OC(C)(C)C(C)(C)O3)n[nH]1)[C@H]2F 2359268014 OUVZZACCCPNZHQ-RPCCPQHDSA-N 464.347 2.317 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@@H](C2CN(C(=O)OC(C)(C)C)C2)C1 2362354064 PAFUSELXODBYSX-OAHLLOKOSA-N 460.384 2.048 30 10 JEEE CC(C)(C)OC(=O)N1CCN(Cc2cccc(B3OC(C)(C)C(C)(C)O3)c2)[C@@H](CC(N)=O)C1 2369316791 IMUYLDVOTMNFIC-IBGZPJMESA-N 459.396 2.283 30 10 JEEE CC(=O)c1ccc(NC(=O)CSc2nnc(N/N=C/c3ccc([N+](=O)[O-])cc3)n2N)cc1 20292064 DDGPRKXLHPCAPR-UFFVCSGVSA-N 454.472 2.280 30 10 JEEE C=CCn1c(=O)c2ccccc2n2c(SC[C@@H](O)COc3ccc4c(c3)OCO4)nnc12 109110364 PBNOUVLIFCUYEW-AWEZNQCLSA-N 452.492 2.491 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)C[S@](=O)CC(=O)Nc3cc(C)ccc3OC)cc21 586348548 NLRPERKMQFUREX-YTTGMZPUSA-N 456.520 2.485 30 10 JEEE C#CC[C@@H](COC)NC(=O)c1cc(I)cc(I)c1O 716871145 ZGDFZOCBRWZFTK-VIFPVBQESA-N 485.059 2.370 30 10 JEEE C=C1C[C@@H]2[C@@]3(C)C(=C(O)C(=O)[C@]2(C)[C@@]2(C(=O)OC)C(=O)[C@@H](C)OC(=O)[C@]12C)C(C)(C)C(=O)C[C@@H]3O 1076498664 YGLJLBFWQLNDEJ-AGNZNEPLSA-N 488.533 2.010 30 10 JEEE CSc1nc(C2CC2)cc(C(=O)N2CCN(S(=O)(=O)CCOC(C)C)CC2)c1C#N 1148696962 CHXKQFPXDSSFHI-UHFFFAOYSA-N 452.602 2.065 30 10 JEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(S(C)(=O)=O)ccc1OCCOC 1157258526 ORMRWDDEZHKJFL-MRXNPFEDSA-N 454.545 2.361 30 10 JEEE N#Cc1ccc(F)c(CS(=O)(=O)N2CCC[C@@H](NS(=O)(=O)c3cccc(F)c3)C2)c1 1209342669 HIGGALUZSCSDFX-QGZVFWFLSA-N 455.508 2.109 30 10 JEEE COC(=O)[C@H](CNS(=O)(=O)c1cccc(Br)c1C#N)Oc1ccc(F)cc1 1211396649 HGZYKPHSIWZVKA-HNNXBMFYSA-N 457.277 2.359 30 10 JEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@H](n2cncn2)C1 1286339269 KJBLTJRZMMPZHA-LJQANCHMSA-N 468.587 2.042 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3OCC)n2Cc2nnc(C)s2)CC1 1286484018 FSKWURIOOTXBPL-UHFFFAOYSA-N 453.572 2.219 30 10 JEEE C#CCN1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CCCn2cc(CO)nn2)CC1 1286485377 JLPDHQXGPSIIJD-UHFFFAOYSA-N 487.033 2.153 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](C)CN(C)C(=O)OC(C)(C)C)CC1 1286493295 NCMRIMRYKQGPFO-AZUAARDMSA-N 488.633 2.251 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 1286517890 WTIIAYAWJLWSEO-UZUQRXQVSA-N 492.646 2.448 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1286546854 LVIZTMUHVAEBFD-MJGOQNOKSA-N 464.592 2.023 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1CCc2nc(O)c(C#N)cc2C1 1286793599 ZHVSZDKXDBLMML-UHFFFAOYSA-N 491.577 2.416 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(OCCC)nc2)C1 1286808637 CTYGVWYMVFQZLV-RBUKOAKNSA-N 461.588 2.194 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1C[C@@]1(O)CCC[C@@H]1C 1288152908 HKVPAXJIOFGLFF-XDHUDOTRSA-N 469.565 2.305 30 10 JEEE CCCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1294911735 FKHZHWYEEGQLIE-UHFFFAOYSA-N 474.569 2.285 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 1300479600 QCXANALBUYLKEO-GOSISDBHSA-N 484.969 2.254 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1CCCCNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1300486825 BUZRIVFUHFFHNO-SFHVURJKSA-N 488.614 2.272 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1oc(CCC)nc1C)[C@@H]1CCS(=O)(=O)C1 1300495524 IGYZGSDWHBLNFU-MSOLQXFVSA-N 461.588 2.444 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1CC1(C(=O)NCC)CCC1)[C@H]1CCS(=O)(=O)C1 1300503865 GSHKUGUZNYVGAN-FQEVSTJZSA-N 499.637 2.099 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1Cc1cccc(CN2CCO[C@H](C)C2)c1 1300575524 XROYEWFKIIBRLT-OAQYLSRUSA-N 457.582 2.411 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H]1CCOc2ccccc21 1300578158 IFFWQXADXZKMEZ-OFNKIYASSA-N 497.621 2.030 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN1CC 1300650816 XUQNOJRRRDZPFI-CTNGQTDRSA-N 459.591 2.443 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H](C)N1CCC(C)CC1 1300654689 DUGNKIOMTOZZHX-HXUWFJFHSA-N 463.590 2.127 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H](NC(=O)OC(C)(C)C)C(C)C)CC1 1300686167 YAOPOPPMEKLSMB-CPJSRVTESA-N 490.649 2.235 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2CC2(O)CCN(C(C)C)CC2)CC1 1300719081 NYZKOYJSBJHKEE-UHFFFAOYSA-N 478.641 2.455 30 10 JEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C)c2cccc(OC)c2)CC1 1300756915 WJEWKHJVUDOCHZ-RXVVDRJESA-N 468.627 2.487 30 10 JEEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(NC(=O)COC)CC1 1301044825 MSVNHOVRGXNQOD-KRWDZBQOSA-N 499.012 2.070 30 10 JEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)C[C@@H]1COc2ccccc2O1 1301223299 QZBLVBJWQLTKFM-NQIIRXRSSA-N 491.614 2.244 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(CCN3CCN(c4ccccc4)CC3)n2CC(C)(C)O)C1 1301565960 HVVNDNBDQLXSGM-QFIPXVFZSA-N 454.619 2.195 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1301576003 OWQPNRLRXWWZOU-LPHOPBHVSA-N 460.560 2.127 30 10 JEEE CC(C)C(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(C(C)C)CC1 1302469995 FCLDCGAGUIAPRY-UHFFFAOYSA-N 453.591 2.421 30 10 JEEE C#CCCCCn1c(COc2ccccc2F)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1358917266 LRJYWAVXPNEZKP-GOSISDBHSA-N 454.506 2.272 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CCN(C)Cc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1358964917 KAJDGYVLNHOHLJ-QHCPKHFHSA-N 496.612 2.162 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@H]1CCN(S(C)(=O)=O)C1 1358972197 XKPBWUHYVXJWDD-MSOLQXFVSA-N 471.652 2.486 30 10 JEEE C#CCN(CCOC)c1nnc(Cc2ccc(F)cc2)n1C[C@H](N1CCOCC1)C(F)(F)F 1359025094 COLDAVGAHRTVKD-IBGZPJMESA-N 469.483 2.357 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2cnc(C)s2)CC1 1359047085 QGUAIHNATZEOCU-UHFFFAOYSA-N 483.623 2.049 30 10 JEEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1359060288 QJQCAPWZQPLQKM-KKSFZXQISA-N 461.613 2.020 30 10 JEEE C=CC1CCN(c2nnc(COc3ccccc3F)n2CC2(O)CCS(=O)(=O)CC2)CC1 1359182071 RAXUYUKLLSPMDL-UHFFFAOYSA-N 464.563 2.338 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCCS1(=O)=O 1359263963 QQTHTCNVNZNKKC-SJLPKXTDSA-N 484.669 2.402 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(CC(C)C)CC1 1359291477 RICMWDBJYXLCFP-UHFFFAOYSA-N 453.591 2.227 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCCC[C@@H](COC)C1 1359292583 SSAKNUIASBDEIW-GOSISDBHSA-N 474.993 2.417 30 10 JEEE C#CCNC(=O)C1CCN(C(=O)NCCc2ccc(OCCN3C[C@H](C)[C@@H](C)C3)cc2)CC1 1478335718 OVNIDLIIGVSRSW-SFTDATJTSA-N 454.615 2.367 30 10 JEEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCN2CCCO)CCCO1 1494477885 HTTURZHFEBZCHK-PZJWPPBQSA-N 454.575 2.191 30 10 JEEE CCc1nn(C)c(OC)c1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](CC(N)=O)C1 1498536525 GIMMKZJEGXMQFY-SFHVURJKSA-N 492.584 2.173 30 10 JEEE CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1cc(C)on1 1503244622 GCNAWJGEQSPLTB-OAHLLOKOSA-N 458.544 2.333 30 10 JEEE CS(=O)(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCC=CO2)C1 1505128695 CRKNGNBZFBFMHN-PMACEKPBSA-N 457.556 2.435 30 10 JEEE C#CCCCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1507566689 KITZJVYQJTXUQZ-IBGZPJMESA-N 469.615 2.086 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CN(CC(C)C)CCO1 1507703939 JWNHLAIYKBRTFW-SFHVURJKSA-N 479.423 2.479 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCc1ccn(C)n1 1507710414 GCFNHWCGRMKVMS-LJQANCHMSA-N 471.606 2.455 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1507805929 LNROLMDGHOIHIY-QFBILLFUSA-N 488.530 2.404 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCCN(CCC)C(=O)C2)nnc1[C@]1(OCC)CCOC1 1507808152 GMQHRGWGXZNCEW-PTLVVNQVSA-N 461.607 2.360 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1508071372 IQUIZPZRQHFFDO-GOSISDBHSA-N 491.637 2.334 30 10 JEEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCN(c2nc(C)cc(OCC)n2)CC1 1508089896 KVWJYIHJZONJEP-UHFFFAOYSA-N 454.579 2.062 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1508095146 SRYALPOYFQNYLQ-GOSISDBHSA-N 454.600 2.382 30 10 JEEE C=CCNC(=O)Cn1c(N2CCCN(c3ccc(OC)cc3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1508096880 CRXTUFFCALVKKG-SANMLTNESA-N 498.628 2.346 30 10 JEEE CCOc1ccnc(N2CCN(c3nnc(-c4ccc(C#N)cc4)n3CCC(C)(C)O)CC2)n1 1516350939 BRLFHGSGCGNAOK-UHFFFAOYSA-N 462.558 2.493 30 10 JEEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2CS[C@]3(c4ccc(F)cc4)CCC(=O)N23)n1 1525226599 VFAADAFVHMRIKN-REWPJTCUSA-N 456.543 2.221 30 10 JEEE C#CCN(C(=O)c1cnc(C2CCN(C(=O)OC(C)(C)C)CC2)o1)[C@@H]1CCS(=O)(=O)C1 1528599889 JZDKFNFGZNQGGA-MRXNPFEDSA-N 451.545 2.052 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC(=O)NCc1ccco1 1538982339 DPRBFKZIPGWNHV-OAHLLOKOSA-N 453.499 2.338 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H](C)CN1CCN(CC)CC1 1538982865 KHZJLJXWYUXLIF-WOJBJXKFSA-N 472.659 2.080 30 10 JEEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1539141171 DGDNMOKRLMAZMG-FPOVZHCZSA-N 453.543 2.084 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1ccc(OC(C)(C)C)nc1)[C@@H]1CCS(=O)(=O)C1 1539223093 ZCZMZCAALGJBCA-VQTJNVASSA-N 487.626 2.419 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(=O)N[C@H](C)CC)c1 1539323165 DJNBDJMSAHNFAS-KNQAVFIVSA-N 481.622 2.220 30 10 JEEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1539520120 OMWIUXUBDDYFPA-UHFFFAOYSA-N 471.537 2.100 30 10 JEEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1539963361 SATHJPAGQUNMTL-HBMCJLEFSA-N 471.650 2.212 30 10 JEEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(C(=O)N(C)C)CCCC1 1540055061 ZEQIGGAORDJFHU-UHFFFAOYSA-N 474.631 2.466 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)c2c(F)cccc2F)CC1 1540870232 HVXJFMSIEDQXSN-GOSISDBHSA-N 474.512 2.063 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCN(CC(F)F)CC1 1540903278 ALPFYVJOHLVAFF-UHFFFAOYSA-N 478.569 2.338 30 10 JEEE C[C@H](N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCS(=O)(=O)C2)CC1)C(F)(F)F 1541897249 CRWFAZIKVULXRW-DOTOQJQBSA-N 482.532 2.324 30 10 JEEE CCS(=O)(=O)N1CC2(CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)C[C@@H]1C(=O)NC 1548380001 NVCSFDBQXTZCSE-QGZVFWFLSA-N 458.506 2.334 30 10 JEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(C(=O)N2CCN(C)CC2)ccc1OC 1583736313 MSZMYZBSQPBOJL-GOSISDBHSA-N 458.559 2.328 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCNC(=O)c1cccs1 1587620454 FJXOOYJVGULOSW-HNNXBMFYSA-N 461.551 2.141 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCSCCCO 1587638351 DFFCSIFQAJBNLQ-IAGOWNOFSA-N 453.609 2.160 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCCCCC2)nc1 1587640393 QVBIQVSNXOFVFE-UYAOXDASSA-N 456.616 2.462 30 10 JEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCN(C)C(=O)OC(C)(C)C 1587922299 YIILUKUCRXEWIK-UHFFFAOYSA-N 475.619 2.483 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1cccc(SCC)c1)[C@@H]1CCS(=O)(=O)C1 1588025095 SAUCJSRRHOJAJI-GOSISDBHSA-N 475.640 2.203 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1CCCSC)[C@H]1CCS(=O)(=O)C1 1588039917 GCZBVUTWXFEOFY-INIZCTEOSA-N 464.613 2.342 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCCOC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1588050324 RIIWASOLIJEKQM-HNNXBMFYSA-N 457.478 2.202 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CCOC[C@H]1OC 1588171097 UOFWADDMWSERAA-VNTMZGSJSA-N 457.575 2.173 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCOC[C@H]1CCOC1 1588219383 RWXRHXPCVZHTEO-HXUWFJFHSA-N 474.565 2.098 30 10 JEEE C#CCN(CCOC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H]1CCCn2cc(C)nc21 1588581155 IMIZRCDOGPKQFE-GBXCKJPGSA-N 456.591 2.487 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCCO[C@H]2CCOC2)CC1 1588871558 HYLCDUFBUCKVIH-NRFANRHFSA-N 459.978 2.461 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H](c2cccc(OC)c2)N(C)C)CC1 1588968064 GOIWHMQQPDUFBJ-XZOQPEGZSA-N 480.613 2.407 30 10 JEEE C=C(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1593691060 QMDJRMUYWRSWPS-DLBZAZTESA-N 473.578 2.399 30 10 JEEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1594783509 CICHTTLGUKCGKT-YZZKKUAISA-N 456.547 2.291 30 10 JEEE C=CCNC(=O)Cn1c(N2CCc3cc(OC)c(C)cc3C2)nnc1[C@@]1(OCC)CCOC1 1595602776 QROXDAWATHJANU-XMMPIXPASA-N 455.559 2.112 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCNC(=O)C(C)C)C1 1595715529 XRDXGQHDMKPWKD-MRXNPFEDSA-N 451.531 2.147 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCC(Cn2cccn2)CC1 1595788543 CFRHLXILGGCJBN-UHFFFAOYSA-N 455.588 2.362 30 10 JEEE C#CCn1ccc(CN(CCOC)C(=O)C2=NO[C@@]3(CCCN(C(=O)OC(C)(C)C)C3)C2)n1 1626713566 KNFUWQFAGJXHFP-QHCPKHFHSA-N 459.547 2.037 30 10 JEEE C#CCCN(CC(F)(F)F)C(=O)C[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 1633549170 WMFQSJGBEDFOIU-KFWWJZLASA-N 452.495 2.071 30 10 JEEE CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)N2CCC(c3ccc(C#N)cc3)CC2)cc1 1652915953 DHTGAQFNQGXQQQ-UHFFFAOYSA-N 455.536 2.419 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H]2CN(CC(=O)N3CCN([C@@H](C#N)c4ccc(F)cc4)CC3)[C@@H]2C1 1654805868 GIUYIBQVLLQRHX-BAGYTPMASA-N 471.577 2.476 30 10 JEEE C#CCCCCn1c(N2CCN(C(=O)N3CCCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1689906431 NBTSKDNZVSYEFP-XMMPIXPASA-N 458.607 2.460 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCCN2C[C@@H](C)C[C@@H](C)C2)CC1 1690113431 JOOGWSGNJFKSOM-MVERNJQCSA-N 472.678 2.442 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1690132413 PJCMTGNEXREWFI-IBVKSMDESA-N 467.614 2.450 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(OC(C)C)cc2)CC1 1690144098 LSKATJUXNIFANH-OAQYLSRUSA-N 464.570 2.031 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1C[C@@H]1C[C@@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1690187923 AEFZJDYVYDEAQR-VXQVSLNISA-N 486.617 2.433 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1C[C@](C)(O)C1CC1 1692518495 ARDVOUHSQZZIML-DEOSSOPVSA-N 452.559 2.497 30 10 JEEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(OCC(F)(F)F)nc2)C1 1698483524 DWMKXUHEUWSBHK-KBXCAEBGSA-N 488.467 2.007 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCCO[C@H]1c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1705559346 YQFJFYMNRQVEAJ-BDTNDASRSA-N 499.637 2.211 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCN(CC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1705562642 HCIRYIUJPLRLSU-HXUWFJFHSA-N 457.600 2.065 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1705562670 HQVRWBDORBBWER-UYAOXDASSA-N 488.610 2.404 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1OCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1705563131 RCGSWRIMMNFYIB-VQTJNVASSA-N 453.568 2.259 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCN(C2CC2)C1 1705582812 KDBCKVGEJXHNPB-TZIWHRDSSA-N 468.602 2.144 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(-c3ccccc3)on2)n1CCCn1cc(CO)nn1 1705595867 JFAJEELUYUUXAJ-UHFFFAOYSA-N 456.510 2.237 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2Cc2ccc(C#N)o2)CC1 1705646661 MQIJCRKKSAPENY-UHFFFAOYSA-N 474.521 2.441 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2nc(C)c(C)s2)CC1 1705650891 BREYVDKICMHZNY-UHFFFAOYSA-N 466.615 2.227 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](C)CN2CCCCC2)CC1 1705651308 RPWJLNRNEVBUAD-FQEVSTJZSA-N 480.661 2.228 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCc1cccs1 1705700188 PUVIHEJRWGVMPL-HOJAQTOUSA-N 495.671 2.333 30 10 JEEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1705736411 QWMFJFOAQDVHQR-UHFFFAOYSA-N 498.506 2.493 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)CC1 1705781588 CWJFSJNKKOENMN-RBUKOAKNSA-N 475.590 2.066 30 10 JEEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1705888100 FJLJFFMGZRRPNP-OAHLLOKOSA-N 472.537 2.454 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN([C@@H](C)c2cccc(OC)c2)CC1 1705899809 HODVHNROAGKKRH-IBGZPJMESA-N 463.586 2.478 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCOC(C)(C)C1 1705902741 JGGZTHXBIKXNFS-KRWDZBQOSA-N 462.595 2.310 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(c2c(F)cccc2OC)CC1 1705903414 VEJLVSGWVOLXGF-IBGZPJMESA-N 458.538 2.296 30 10 JEEE C=CCOc1ccccc1Cn1c(Cc2cccnc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1705912996 AYMKFENKSZCZTR-NHCUHLMSSA-N 463.538 2.237 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@]2(C)CN(C)C2=O)C1 1705917373 TTZUFVDTNHFPCD-QRWLVFNGSA-N 463.380 2.306 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(C(=O)COc2ccc(F)cc2)CC1 1705934799 XYLVGXHDBICYOR-UHFFFAOYSA-N 491.589 2.013 30 10 JEEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@](O)(c2ccc(C)cc2)C1 1705940192 YECMZTPUZJRWPL-DYESRHJHSA-N 465.645 2.214 30 10 JEEE CN(C)CC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1711009695 FSNMKTDFTSEXMD-WOJBJXKFSA-N 451.575 2.267 30 10 JEEE COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1c[nH]c2ccccc12 1712453886 CJXVXKHYGAXBSI-GOSISDBHSA-N 456.572 2.271 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 1722274073 ARVBVHMHOOJTDY-CADBVGFASA-N 456.591 2.475 30 10 JEEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1cccn(CC)c1=O 1722300706 FWRWAOJDIQVPIR-QFIPXVFZSA-N 473.625 2.331 30 10 JEEE C#CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC(=O)N(C)[C@H](C)C1 1722316423 HYTQHHPBASGVHP-QZTJIDSGSA-N 460.579 2.057 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)o2)n1Cc1c(CC)nn(C)c1CC)[C@@H]1CCS(=O)(=O)C1 1722360495 UTOHTHNGEYUJHV-QGZVFWFLSA-N 470.599 2.380 30 10 JEEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(OC)c(OC)c1OC 1722403219 NHYQKGFHWLMFNZ-UHFFFAOYSA-N 450.499 2.459 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)Oc2cccc(C)c2)CC1 1722441193 NIEDMTLAXMNFCA-FQEVSTJZSA-N 478.597 2.256 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2Cc2cnn(C)c2C)CC1 1722442763 BOYUKNMRVNCKME-UHFFFAOYSA-N 477.569 2.018 30 10 JEEE C#CCSCCn1c(CSc2ccccc2OC)nnc1N1CCN2CCOC[C@@H]2C1 1722463829 NQBIJSUDGAQDGZ-SFHVURJKSA-N 459.641 2.466 30 10 JEEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(F)cc2)CC1 1722478953 CVJDJJJVSGYXKE-CQSZACIVSA-N 487.399 2.263 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C 1722867396 GDDQPAAOUHKTOH-ZACQAIPSSA-N 468.624 2.279 30 10 JEEE CC(C)Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCc1cccc(C(N)=O)c1 1723330210 HIGTZUMDQPABMA-UHFFFAOYSA-N 458.570 2.411 30 10 JEEE COc1cc(OC)c(CCn2c(Cc3cccnc3)nnc2N2CCO[C@@H](C#N)C2)c(OC)c1 1730008451 HDRSAXFXYRKRFU-IBGZPJMESA-N 464.526 2.261 30 10 JEEE N#Cc1ccc(OCc2nnc(N3CCC[C@H](C(N)=O)C3)n2CCCN2CCCCC2)cc1 1731184651 GQDQBQXLHJTZSE-FQEVSTJZSA-N 451.575 2.306 30 10 JEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1CCN(C(=O)OC)CC1 1740601798 JMKXSVDTEMMPDE-UHFFFAOYSA-N 473.603 2.094 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1cnn(CC(C)C)c1C)[C@@H]1CCS(=O)(=O)C1 1740622514 ZABPVCNVPFFFBT-OAQYLSRUSA-N 467.599 2.176 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2cccc(C)c2)nnc1N1CCN(CC(=O)NCC)CC1 1740762784 GLAIJPWRSUHSBQ-BWKNWUBXSA-N 482.629 2.405 30 10 JEEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1740961729 XPPZTQMXDVNZAM-GOSISDBHSA-N 485.539 2.168 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1740989861 ZJSVSEBSDOQNGH-JKSBSHDWSA-N 464.563 2.458 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 1740995221 DTQDCAVAWKWSIX-DLBZAZTESA-N 469.608 2.224 30 10 JEEE CCc1nsc(N2CCN(c3nnc(-c4ccc(C#N)cc4)n3CCC(=O)N(C)C)CC2)n1 1744746608 IBNNYFWNIYHTHE-UHFFFAOYSA-N 465.587 2.036 30 10 JEEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1748703637 VIUFZTISWQTVAM-FQEVSTJZSA-N 471.627 2.311 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CCN2CCOC[C@@H]2C)CC1 1748984678 PKDWHXBZDYGGMY-NRFANRHFSA-N 482.629 2.217 30 10 JEEE C#CCN1CCN(c2nnc(COCC)n2C[C@@H]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)CC1 1748999767 FPGJWYXBPIXCMA-SLFFLAALSA-N 458.607 2.073 30 10 JEEE C=C(C)COCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1749231241 JOLASUDMXRJASA-UHFFFAOYSA-N 488.583 2.484 30 10 JEEE C=CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCNC(=O)[C@H]1CC 1749390566 GYUXTFGJPYYZOT-LJQANCHMSA-N 460.604 2.267 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ncnn1C(C)(C)C 1749591019 LRLKCHBFLTWQQF-KRWDZBQOSA-N 473.603 2.403 30 10 JEEE C=CCNC(=O)Cn1c(N2CCN(c3nc(C)c(C)s3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1749681756 IBFMKBOGYPOAMR-HSZRJFAPSA-N 489.646 2.021 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCNC(=O)OC(C)(C)C)C1 1749699063 YZMRYXMEIVDVNP-HTAPYJJXSA-N 451.568 2.236 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc4ccccc4n3)n2CCCNS(C)(=O)=O)C1 1749703332 GNPNOWICMBKZQU-SFHVURJKSA-N 456.572 2.214 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H](C)C[C@H]1CC 1749724826 NSYGVLXHUSDXCP-PKOBYXMFSA-N 495.671 2.421 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1749729396 IBNURMZILACNET-LJQANCHMSA-N 489.642 2.244 30 10 JEEE C[C@H](C#N)CN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCNC(=O)c1ccco1 1750060313 GEMJVFFOUDASGL-OAHLLOKOSA-N 469.933 2.480 30 10 JEEE Cc1ccc(S(=O)(=O)NCCn2c(-c3cccn3C)nnc2N2CC[C@](F)(C#N)C2)s1 1751580454 CTYJEEHJMFHJAK-IBGZPJMESA-N 463.564 2.074 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cccc(OCC(=O)N(C)C)c1 1760098852 AOYZUFRYQMFZPF-KBMIEXCESA-N 469.586 2.292 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2Cc2ccc(C(N)=O)nc2)CC1 1760264444 OEDNLLRJZLYAEO-UHFFFAOYSA-N 487.608 2.452 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(F)c(COC)c2)CC1 1760273327 PEUHGTHWDWWFPO-REWPJTCUSA-N 499.587 2.302 30 10 JEEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1(S(C)(=O)=O)CCC1 1760454661 BRCIXPHFZUVRLN-UHFFFAOYSA-N 466.633 2.136 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H]2CCCCO2)nnc1N(C)CC(=O)N1CCOCC1 1760533200 NSBMMFGLNDQAOW-NRFANRHFSA-N 455.559 2.428 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@@H](c1ccco1)N(C)C 1761466110 HGXUROYKYDOOPB-APWZRJJASA-N 471.587 2.292 30 10 JEEE COc1cc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2CCNC(C)=O)cc(OC)c1OC 1862566671 AKYNWSMDLRUYNI-HXUWFJFHSA-N 469.494 2.009 30 10 JEEE CC(=O)Nc1ccc(S(=O)(=O)CCC(=O)NC(C)(C)C(=O)Nc2cccc(C#N)c2)cc1 1866807843 BLKKVPFPLVVAEZ-UHFFFAOYSA-N 456.524 2.214 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCCc2ccc(OC)cc2)cn1C[C@H](C)O 1870643637 VOFXDMWJIRNTBE-FQEVSTJZSA-N 469.582 2.149 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCc2ccc(OC)cc2)cn1CCCO 1870648654 GPMWXYWSRLZVFH-UHFFFAOYSA-N 455.555 2.109 30 10 JEEE C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C2(O)CN(C(=O)OC(C)(C)C)C2)CC1 2060404571 ZPWVZVZDOXCGOG-KRWDZBQOSA-N 451.564 2.123 30 10 JEEE COC[C@@]1(C(=O)N2CCC=C(B3OC(C)(C)C(C)(C)O3)C2)CN(C(=O)OC(C)(C)C)CCO1 2189213175 VNVYCPMARTXBLR-HSZRJFAPSA-N 466.384 2.429 30 10 JEEE C#CCN1CC[C@@H](NC(=O)c2cc(I)cc(I)c2O)C1 2204196350 FOSCYUBBXXGXHN-SNVBAGLBSA-N 496.086 2.039 30 10 JEEE CC(C)(C)OC(=O)NCC[S@](C)(=O)=NC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2247905587 JAQKBMVBQUKSOM-PMERELPUSA-N 459.399 2.205 30 10 JEEE CCc1nn(C)c(C(=O)N2CC(N(C)C(=O)OCc3ccccc3)C2)c1B1OC(C)(C)C(C)(C)O1 2267141605 XPTOYOBWMFTVII-UHFFFAOYSA-N 482.390 2.375 30 10 JEEE Cn1ncc(CNC(=O)OC(C)(C)C)c1NC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2267165491 GFFCQRFBBVIIDI-UHFFFAOYSA-N 463.369 2.453 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@H](CNC(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)C1 2267192035 LEAZMLLJARYFTR-OAHLLOKOSA-N 450.341 2.192 30 10 JEEE CN1CCN(C(=O)OC(C)(C)C)[C@@H](CNC(=O)c2csc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267554172 WWPOTLAFQITYLY-INIZCTEOSA-N 465.425 2.328 30 10 JEEE CN(Cc1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(=O)[C@@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C 2268658687 UXDLOMLVOLUELY-WBVHZDCISA-N 466.409 2.376 30 10 JEEE CC1(C)OB(c2ccsc2S(=O)(=O)N[C@H](COCc2ccccc2)CC(=O)O)OC1(C)C 2269039456 TWEJVSDHJXRSLF-INIZCTEOSA-N 481.401 2.386 30 10 JEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CCN(Cc3ccccc3)CC2(C)C)n1 2281953446 KQDGVWHYKUOOCD-GOSISDBHSA-N 453.396 2.145 30 10 JEEE C[C@H]1C[C@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)CCN1C(=O)OC(C)(C)C 2281962788 CYTWJDJJOGJXBU-JKSUJKDBSA-N 462.400 2.485 30 10 JEEE CC(C)(C)OC(=O)N[C@]12CCC[C@]1(F)CN(C(=O)c1cc(B3OC(C)(C)C(C)(C)O3)n[nH]1)C2 2281989161 WHRDOXKLQIAQPE-VXKWHMMOSA-N 464.347 2.320 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@]12CC[C@H]1CN(C(=O)OC(C)(C)C)C2 2282005985 SIHXATDLYRWJGH-WNSKOXEYSA-N 460.384 2.157 30 10 JEEE C[C@H]1CN(C(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)C[C@H](C)N(C(=O)OC(C)(C)C)C1 2282035520 WPVWKJGPAFFVOR-HOTGVXAUSA-N 462.400 2.437 30 10 JEEE CC(C)(C)OC(=O)N1CC2CC1(CNS(=O)(=O)c1cncc(B3OC(C)(C)C(C)(C)O3)c1)C2 2282348194 IMOKOTGQIALERW-UHFFFAOYSA-N 479.408 2.059 30 10 JEEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)[C@@H](C#N)C1 2282498387 CQASDIYMBLFQGJ-INIZCTEOSA-N 497.448 2.322 30 10 JEEE CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)C(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1 2282534603 HGDMIZYMNPRIJS-VWLOTQADSA-N 451.376 2.090 30 10 JEEE Cn1cc(C(=O)NC[C@H]2CCN(C(=O)OC(C)(C)C)C23CC3)nc1B1OC(C)(C)C(C)(C)O1 2282549769 PJIQANRNBCTYCO-OAHLLOKOSA-N 460.384 2.239 30 10 JEEE Cc1c(C(=O)NC[C@]2(F)C[C@H](NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282599776 QYYZPHHKPLYTOS-CAJLXGCNSA-N 466.363 2.153 30 10 JEEE CC(C)(C)OC(=O)N[C@]1(CO)CCCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2282665697 CDWSPMJREQCPKV-XMMPIXPASA-N 460.380 2.478 30 10 JEEE CC(C)(C)OC(=O)N1CC(N(CC2CC2)C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2282674869 PVCALTSNGWSMGS-UHFFFAOYSA-N 458.368 2.247 30 10 JEEE CC(C)(C)OC(=O)NCCn1cc(NC(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)cn1 2282678211 JHNFHZUMTNRWQX-UHFFFAOYSA-N 457.340 2.354 30 10 JEEE C[C@H](c1nscc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)CN(C)CCNC(=O)OC(C)(C)C 2284067906 VKBZRZXXGGQZLC-OAHLLOKOSA-N 482.456 2.418 30 10 JEEE Cc1cc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2289463628 MECQMOHKTMWOBC-MJGOQNOKSA-N 460.380 2.281 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@H]2NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2312857573 PGCXBUQQWFOVCD-XEZPLFJOSA-N 470.422 2.333 30 10 JEEE COc1ccc(C=Nn2c(CNC(C)=O)nnc2SCC(=O)NCc2ccccc2)cc1 2330794249 JJMRGJGCWNGGPV-UHFFFAOYSA-N 452.540 2.214 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCCC2(CN(C(=O)OC(C)(C)C)C2)C1 2362358321 ZBWROJGAHAOVAL-UHFFFAOYSA-N 460.384 2.192 30 10 JEEE Cc1ccc(OC[C@H](O)Cn2c(N/N=C/c3ccc(Cl)cc3)nc3c2c(=O)[nH]c(=O)n3C)cc1 33438692 SZVUGEMZWRJMST-LHSRNITLSA-N 482.928 2.271 30 10 JEEE CCN/C(=N\CCCO)S[C@H]1CC(=O)N(c2ccc(I)cc2)C1=O 59490306 IEUFUDMGYRLVAG-ZDUSSCGKSA-N 461.325 2.004 30 10 JEEE CCCCCCCCO[C@@H]1O[C@H]([C@H](COC(C)=O)OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 256014065 YQYGIWWSRQRBBQ-ZSYZGHEHSA-N 460.520 2.447 30 10 JEEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1csc(-c2ccc(Br)cc2)n1 725825357 AKCSQNCZFGVTMY-AWEZNQCLSA-N 475.411 2.384 30 10 JEEE CCCCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1Cc1ccc(OC)cc1 729671583 MRVARILDRPUWAY-UHFFFAOYSA-N 487.585 2.034 30 10 JEEE CC(=NNC(=S)Nc1ccc(F)cc1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 729816877 SBGXMZMYIDHPBF-UHFFFAOYSA-N 458.562 2.262 30 10 JEEE O=C1C(C=NNc2nc3c(O)ncnc3[nH]2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 1084226176 QXQRFNYUTIJNJM-UHFFFAOYSA-N 472.490 2.437 30 10 JEEE Nn1c(NN=Cc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)nnc1SCC(=O)Nc1c(F)cccc1F 1084579269 ODOULTOAVSEEOW-UHFFFAOYSA-N 493.412 2.263 30 10 JEEE N#Cc1ccc(N2C[C@H](C(=O)Nc3cc(-c4cccnc4)nn3CCO)CC2=O)cc1Cl 1168208640 BKNXLFTWZVFFKM-MRXNPFEDSA-N 450.886 2.454 30 10 JEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1csc(COC)n1 1286377610 ZHPACEXEKGFAFN-INIZCTEOSA-N 462.576 2.307 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1Cc1cccc(NC(=O)[C@@H]2CCCO2)c1)[C@@H]1CCS(=O)(=O)C1 1286391351 CQKQJNVTGZDXQA-YADHBBJMSA-N 499.637 2.269 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CCN1CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1286394517 JFCWEXYXQONHBW-FPOVZHCZSA-N 489.617 2.355 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2C[C@H](C)CN2CCN(CC)CC2)CC1 1286487447 OREMXGDIOOTDMX-HXUWFJFHSA-N 481.645 2.086 30 10 JEEE C#CCSCCn1c(-c2ccccc2OC)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1286504456 PNVIFHYPIDHCQG-HXUWFJFHSA-N 455.584 2.148 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(Cn2cccn2)cc1 1286517318 QMIHKIJMPVUYRW-FDDCHVKYSA-N 467.599 2.174 30 10 JEEE C=C(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1286588762 IYNYSQFNADECPK-HNNXBMFYSA-N 461.452 2.002 30 10 JEEE C=C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC[C@H]2COCCO2)CC1 1286640959 QFVMOIQUFBLPMM-IBGZPJMESA-N 461.588 2.157 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1286781184 VWNVWDITPUOUHM-QUCCMNQESA-N 499.591 2.442 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC(Oc2cncc(Cl)n2)CC1 1286789711 JRBUGCMEHZHFSB-UHFFFAOYSA-N 468.949 2.057 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCCN(C(=O)c2ccsc2)CC1 1286822358 JCAZOTJPQSYIPI-UHFFFAOYSA-N 463.629 2.245 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 1286968986 CSOVCYNUIQXIKW-PXNSSMCTSA-N 465.558 2.162 30 10 JEEE CNC(=O)CCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@](C)(O)c1cc(C)oc1C 1299225875 GMPCYUYPIZCNPK-XMMPIXPASA-N 466.542 2.419 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1CC1(CCOC)CCC1)[C@@H]1CCS(=O)(=O)C1 1300502423 UCWLWEFKMPPEMR-LJQANCHMSA-N 477.656 2.467 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@]1(C)CCCS1)[C@H]1CCS(=O)(=O)C1 1300502442 UQIWJCNBLONVRG-RXVVDRJESA-N 462.645 2.052 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCC)CCC 1300885337 OXQAXLCJHQSSRD-OTWHNJEPSA-N 455.625 2.219 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCS(=O)(=O)NC)CC1 1301097486 XZODDCDQLDGERZ-INIZCTEOSA-N 454.597 2.056 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1301505930 CMEGFZXNUGECJN-SFHVURJKSA-N 469.590 2.259 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](c2ccccc2)[C@@H]1C 1301568168 PSLIDACDPNVYFU-AZUAARDMSA-N 457.600 2.497 30 10 JEEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1358929437 ZYKQOMSPCDRBIV-HXUWFJFHSA-N 471.631 2.269 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 1358956375 DXTSVONMNFVGOI-OAHLLOKOSA-N 478.372 2.314 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC1(O)CC1)[C@H]1CCS(=O)(=O)C1 1358956633 IRQMJONDOVYJQD-WBVHZDCISA-N 464.975 2.223 30 10 JEEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H]1CCCN1CCCO 1358978074 COQKFVCMFYBPHU-QFIPXVFZSA-N 484.645 2.312 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCCOC1 1358994275 JBPNOPRGDKYURV-PMACEKPBSA-N 457.575 2.476 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(=O)NC1CCCCC1 1359014874 AHUCUCGOINTVNQ-KRWDZBQOSA-N 490.605 2.116 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@@]1(O)CCO[C@H]1C 1359021571 TZCXHLPEEVOJNI-BTYIYWSLSA-N 479.375 2.342 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@]2(OC)CCOC2)CC1 1359041034 LSOZQGVERJYDAC-IQGLISFBSA-N 485.560 2.329 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2CCCNC(=O)C(C)C)CC1 1359043187 KRBIHNNGJIXSHG-UHFFFAOYSA-N 454.550 2.212 30 10 JEEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1359136095 YZVNWJWALOGBNU-HSZRJFAPSA-N 485.614 2.348 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1359292253 LJZBQHNAHIQEOJ-AQNXPRMDSA-N 466.586 2.300 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCN(CCOC)[C@H](CC)C1 1359296295 DQZXKGVWZBHMTF-HXUWFJFHSA-N 463.586 2.343 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Br)cc2)nnc1N1CCC[C@@H](C(=O)OC)C1 1359303856 CTRHSXABPJXJMN-OAHLLOKOSA-N 492.374 2.311 30 10 JEEE C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCS(C)(=O)=O 1360759966 FKCSQLPWJQICRM-PBHICJAKSA-N 453.952 2.235 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@@H]3c3ccccc3)C2)ccc1F 1361186596 XYJLCRKHUMEVCY-QWFCFKBJSA-N 457.527 2.177 30 10 JEEE C=CC[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1)c1ccccc1 1456318062 ZWFVQUPSOFYKPB-LJQANCHMSA-N 455.536 2.210 30 10 JEEE N#Cc1cc(Br)cc(S(=O)(=O)N2CCN(C(=O)c3ccc(O)cc3)CC2)c1 1475139708 CKVXZAMUGZDHRF-UHFFFAOYSA-N 450.314 2.173 30 10 JEEE C#CCN(Cc1ccc(F)cc1)C(=O)NCc1ccccc1S(=O)(=O)N1CCN(C)CC1 1477860592 RHZBUKQNVSZALR-UHFFFAOYSA-N 458.559 2.107 30 10 JEEE C#CCN(c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC(=O)N(C)CC)[C@@H]1CCS(=O)(=O)C1 1507629486 UMIWNSMLWBDHSS-FUHWJXTLSA-N 489.667 2.236 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1Cc1cnn(C)c1C)[C@@H]1CCS(=O)(=O)C1 1507629884 XOXJLFJJCBKQTC-QGZVFWFLSA-N 476.965 2.455 30 10 JEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1C[C@@](C)(O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1507634690 LKDFOTQCPGAXNI-HYBUGGRVSA-N 474.627 2.106 30 10 JEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCN1C[C@@H](C)O[C@H](C)C1 1507641256 AYSOLBVYSCFRQD-WOJBJXKFSA-N 497.669 2.119 30 10 JEEE C#CCSCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCO[C@@]2(CCOC2)C1 1507744514 MUJZQJJFUOZHBM-QHCPKHFHSA-N 474.583 2.333 30 10 JEEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1507748896 SUEDNXPRDHRKJU-QGZVFWFLSA-N 450.572 2.104 30 10 JEEE C=C(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC(S(C)(=O)=O)CC1 1507829709 BRZDPKTUSKKEDQ-UHFFFAOYSA-N 456.572 2.264 30 10 JEEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2ccc(OCC)cc2)CC1 1507832228 UGEZVJCCLOPBOG-FQEVSTJZSA-N 459.616 2.477 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1cn[nH]c1 1508040589 ZHPNTXCFDLBPFZ-SFHVURJKSA-N 461.567 2.191 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1508075926 CBLBHIXTTAKUQB-LJQANCHMSA-N 493.656 2.334 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC(NC(=O)c2ccccc2)CC1 1508143031 WIHRGJWJMLHBBA-FQEVSTJZSA-N 487.626 2.172 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ccc(C(N)=O)cc1 1509950980 GJPNJGNATBENNJ-KRWDZBQOSA-N 459.558 2.338 30 10 JEEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CC1CCN(CC(F)(F)F)CC1 1513916299 DKWQGKCQHGWRRS-UHFFFAOYSA-N 479.555 2.355 30 10 JEEE COC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)OC2(CCOCC2)C1)OC 1518729451 AAWGLXWMZKASBW-GHTZIAJQSA-N 471.558 2.164 30 10 JEEE N#C[C@H]1CN(c2nnc(Cc3ccncc3)n2Cc2cccnc2OCC(F)(F)F)CCO1 1521136299 CUFFDCKRKRYCIP-KRWDZBQOSA-N 459.432 2.377 30 10 JEEE C#CCCCCn1c([C@H]2CCCO2)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1539085571 NEGJHEHNSHNUPY-MKXGPGLRSA-N 493.630 2.060 30 10 JEEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCCN1CCN(CC)CC1 1539172181 UWJURUFXEOUTMC-UHFFFAOYSA-N 476.629 2.333 30 10 JEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1C[C@H]1CCC=CO1)[C@H]1CCS(=O)(=O)C1 1539224465 HIYXDFXKOZESFK-RBBKRZOGSA-N 470.595 2.391 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(OC)cc2)n1Cc1cccnc1N1CCOCC1 1539406279 XOVKNJQJRWKHTP-UHFFFAOYSA-N 462.554 2.320 30 10 JEEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2C[C@@H]2CN(CC(C)C)CCO2)CC1 1539454583 TWPLGEFOCPDNQH-DEOSSOPVSA-N 450.631 2.175 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2CCCCN2CCN(CC)CC2)CC1 1539474010 GYFHYLWPCKPPLB-UHFFFAOYSA-N 477.657 2.329 30 10 JEEE C=C(Br)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@](C)(C(N)=O)C1 1539599268 CAZOKRDQGNLATQ-JLTOFOAXSA-N 499.410 2.197 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(F)c(F)c2)CC1 1539847416 FETSZCOTIORCJF-SFHVURJKSA-N 453.515 2.094 30 10 JEEE C=CC[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCn2nc(C)nc2C1)c1ccccc1 1539940519 RJKYYDYUSCJOMO-APWZRJJASA-N 470.603 2.168 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)Cc1ncc(Cl)n1C 1540868751 QAGWGQKWLARPED-UHFFFAOYSA-N 465.949 2.456 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCC(Nc2cccnn2)CC1 1540872239 HSBJOOGSNNMUGL-UHFFFAOYSA-N 450.522 2.181 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2OC)nnc1N1CC[C@@]2(CCOC2)C1 1540908734 MPKABTWLNOYHFV-JOCHJYFZSA-N 462.572 2.083 30 10 JEEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1540913071 HJEUAZCPHFSSGL-GOSISDBHSA-N 472.663 2.167 30 10 JEEE C=CCSCCn1c(N2C[C@H](C)[C@@H](N3CCOCC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1540922528 QHWYJNYTSPPRTC-JTAQYXEDSA-N 465.664 2.395 30 10 JEEE Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)C(F)(F)F)CC1 1556592765 BSMJMVBDUNNBRW-QUCCMNQESA-N 469.508 2.421 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1CC[C@H](NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 1559022969 FWCIJFNJBUXMHM-JCNLHEQBSA-N 450.561 2.036 30 10 JEEE C#C[C@@H](NC(=O)c1cc(I)ccc1N1CCOCC1)C1CCOCC1 1586729805 GJMUSNGJOTZIIZ-QGZVFWFLSA-N 454.308 2.286 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)cc1C(F)(F)F 1587641060 WXKJFTFMDUMUAH-CXAGYDPISA-N 489.495 2.275 30 10 JEEE C#CCN(c1nnc(CC)n1C[C@@H]1[C@H](C)CCN1C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1588059355 MODJPHUNPYSJTA-KZNAEPCWSA-N 465.620 2.113 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCN1Cc1ccccc1 1588559898 MBWUCBUBFGUVGZ-JOCHJYFZSA-N 450.587 2.265 30 10 JEEE C=CCNC(=O)Cn1c(N2CC[C@H](C)N(Cc3ccccc3)CC2)nnc1[C@]1(OCC)CCOC1 1595602027 DDJXPRFBMBOQEQ-LVXARBLLSA-N 482.629 2.333 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCCN(C)C(=O)OC(C)(C)C)C1 1595664658 IFNYUGVATNPVQU-QGZVFWFLSA-N 450.584 2.455 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1595773115 QWZLFXVTOKUDMV-IBGZPJMESA-N 472.615 2.057 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1595812293 QQCCGRSDQRQLJA-MRUHUIDDSA-N 481.644 2.007 30 10 JEEE CC[C@@H](C)[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCn2nc(C)nc2C1 1613123531 HEURYTBRJWVLCA-MWTRTKDXSA-N 450.547 2.446 30 10 JEEE CCOC(=O)[C@@H]1S/C(=N/C(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)N(C)[C@H]1C 1613895719 JIULWLRYRVTVIP-TWPXGBDXSA-N 459.615 2.030 30 10 JEEE CCO[C@@]1(c2nnc(N3CCN(Cc4ccc(C#N)cc4)CC3)n2C[C@@H](C)N(C)C)CCOC1 1616257336 HCGVCOAZLFWCLY-NLFFAJNJSA-N 467.618 2.074 30 10 JEEE CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)N2CCC[C@@H](C)C2)CC1 1618826554 GSSZQKZWXLWNMM-MOPGFXCFSA-N 450.591 2.399 30 10 JEEE N#CCCN(CCN1CCOCC1)C(=O)[C@H]1CCCN(C(=O)N2CCc3sccc3C2)C1 1627067880 HZPOPWKYIXNPMB-FQEVSTJZSA-N 459.616 2.013 30 10 JEEE CCN(CC)S(=O)(=O)c1ccc(CCC(=O)N2CCN(c3ccc(C#N)nc3)CC2)cc1 1644130905 CAADYECUQMRJDF-UHFFFAOYSA-N 455.584 2.265 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CCNC(=O)Cc1cccc(F)c1 1689861289 SCZZCJJWWGDSGE-MRXNPFEDSA-N 468.558 2.226 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2CCS(=O)(=O)CC2CC2)c1 1689870714 XVLMZUJDBMXNMJ-UHFFFAOYSA-N 478.578 2.221 30 10 JEEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCCN(C(=O)c2cccc(F)c2)CC1 1689937199 RZCDTAVKDBSKNK-UHFFFAOYSA-N 452.534 2.306 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@@H]1CC(F)(F)CO1)[C@@H]1CCS(=O)(=O)C1 1689992902 QVDSFXLIDMWJNB-SJORKVTESA-N 468.501 2.059 30 10 JEEE C#CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCOCC)[C@H]1CCS(=O)(=O)C1 1689998399 LIRZNVAMQTWBKA-OTWHNJEPSA-N 495.646 2.102 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@](O)(c1ccccc1)C(F)(F)F 1690000309 YMLNQABWKQYFMJ-JOCHJYFZSA-N 468.439 2.448 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(C)(C)c2ccccc2F)CC1 1690124027 DEAQKMONCYYPCQ-SFHVURJKSA-N 459.591 2.052 30 10 JEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC([C@H](O)c2ccc(F)cc2)CC1 1690155462 KFNRNRHRZGTKOT-OXJNMPFZSA-N 495.646 2.344 30 10 JEEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1690473645 BUDGNKJVVBDVOG-QGZVFWFLSA-N 481.644 2.080 30 10 JEEE C=CCCOCCn1c(-c2ccccn2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1690503915 RSYMWTOXQGQWAO-REWPJTCUSA-N 467.618 2.312 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1690663264 QZOWKZIMZYENAJ-RYUDHWBXSA-N 490.449 2.329 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(Cc2cc(F)ccc2OC)CC1 1690668907 NCMPYMHKAZYUHB-UHFFFAOYSA-N 479.560 2.421 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCCC1CCCC1 1692794352 FDYSMIQYAZMFOO-GOSISDBHSA-N 486.646 2.452 30 10 JEEE CC1(C)CCCN(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCS(=O)(=O)CC2)C1 1692855938 ADDVTZVFTAMDEE-UHFFFAOYSA-N 472.615 2.086 30 10 JEEE CCN1CCN(C[C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H](C(=O)OC)C2)CC1 1695896544 FNNUOVVHQNUAGG-NZQKXSOJSA-N 479.629 2.480 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCCO3)n2CCCc2cnn(C)n2)c1 1705507362 YXAZDZMDKYGRDE-OAQYLSRUSA-N 462.558 2.337 30 10 JEEE C#CCN(c1nnc(COc2ccccc2OCC)n1CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1705568576 QMTFEPNCGGFWAB-OAHLLOKOSA-N 472.489 2.445 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCCc1ccccc1F)[C@H]1CCS(=O)(=O)C1 1705572030 PBTGNKZDWJPYQH-ONTIZHBOSA-N 490.601 2.401 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1CC1(COC)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1705572192 TWZZTERSUIUBSW-RTBURBONSA-N 450.605 2.353 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1CCc1ccc(OCC(F)(F)F)nc1 1705589064 JFVXRRWWBGLHMW-UHFFFAOYSA-N 462.476 2.458 30 10 JEEE C#CCN1CCN(c2nnc(C3(c4ccccc4)CCC3)n2CCS(=O)(=O)CC=C)CC1 1705635180 SOKIRUPUYYAUNO-UHFFFAOYSA-N 453.612 2.104 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCC(=O)NCCC)CC1 1705639034 DPLHMVUOXYVYDH-HXUWFJFHSA-N 487.649 2.064 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC2(S(C)(=O)=O)CCC2)CC1 1705642841 JFIXGPMSWMGLNX-UHFFFAOYSA-N 478.018 2.233 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Br)n2CCC(=O)N(C)C)CC1 1705645889 IIKMISARSXRILP-UHFFFAOYSA-N 487.402 2.152 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2cc(Cl)c(OC)c(OC)c2)CC1 1705648021 OZXLQFVUNXTMOI-UHFFFAOYSA-N 495.971 2.420 30 10 JEEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1705654623 OETLIOJANHMXIQ-FXAWDEMLSA-N 456.572 2.377 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CC(=O)NCC)CC1 1705697173 SMYLALXMLFUJSA-WIYYLYMNSA-N 474.009 2.233 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCO[C@H]1C(C)(C)C 1705843921 RCZXNRPXGLYORA-OKZBNKHCSA-N 455.625 2.075 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1705898562 PNJRUPNGOKTOHC-AREMUKBSSA-N 498.628 2.344 30 10 JEEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)Cc1ccsc1 1705900866 SFDSOWOOTCDZCI-UHFFFAOYSA-N 459.601 2.238 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1nc2ccccc2s1 1705934816 YHNLMVHODLYSNS-OAHLLOKOSA-N 460.585 2.076 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCn1c(C)nc2ccccc21 1708757313 DOSSYWPYDOCBGQ-SFHVURJKSA-N 450.547 2.284 30 10 JEEE CN(C)C(=O)[C@@H]1CCCN1CCCn1c(COc2ccccc2F)nnc1N1CC[C@@](F)(C#N)C1 1710973580 AGGRYCSIBUENHX-YADARESESA-N 487.555 2.381 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](CN2CCCC[C@@H]2C)C1 1722332277 HPYFWTSFFGAWIS-BDTNDASRSA-N 492.690 2.115 30 10 JEEE C#CCCCn1c(COc2ccc(OC)cc2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1722340300 UECKLLBTFLOIOP-GBXCKJPGSA-N 480.613 2.268 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCCCS1(=O)=O 1722376018 ISJRLONIAGQABH-OAHLLOKOSA-N 450.362 2.076 30 10 JEEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CCN(CC(F)(F)F)C1 1722395241 VSTCAGJRDKMDPA-RXVVDRJESA-N 453.509 2.277 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1Cc1cccc(N2CCOCC2)n1 1722423651 LFRYBBONINILSE-UHFFFAOYSA-N 457.538 2.183 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCc2ccc3c(c2)CCO3)CC1 1722429370 KYTVSPKKNLKSFH-UHFFFAOYSA-N 450.587 2.129 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2CC(F)(F)C2)CC1 1722443302 GISBCSGDGPACBQ-UHFFFAOYSA-N 491.564 2.360 30 10 JEEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C(=O)NCC)CC1 1722451831 IGRKAIARCWMSRK-UHFFFAOYSA-N 466.409 2.254 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)CCNS(C)(=O)=O 1722506375 MICWYZHYZFVAHI-NQIIRXRSSA-N 485.614 2.097 30 10 JEEE C=C(Cl)Cn1c([C@H](C)OCCOC)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1722543530 QOKKTBCXIQVZPT-XKGZKEIXSA-N 469.030 2.134 30 10 JEEE C=CCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1722687489 FKAPMFZQJGXNPA-UHFFFAOYSA-N 480.661 2.413 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC(Cn2ccnn2)CC1 1722705645 GDNIZIHACVGKDU-UHFFFAOYSA-N 470.965 2.321 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 1722725499 MPBMKMOLIJZDRS-SFHVURJKSA-N 476.647 2.263 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1722731110 DNNYPKJAEQJPFX-WOJBJXKFSA-N 471.583 2.192 30 10 JEEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCC[C@H]2OC)C1 1728681483 BWWLWELYRWBKSC-XUVXKRRUSA-N 458.588 2.150 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1CCN1CCCS1(=O)=O 1740541385 XWULSBMYYPUBFA-LBPRGKRZSA-N 458.407 2.263 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2CC2(C(=O)NCC)CCC2)c1 1740564273 HODNBCIUDHQEGU-IBGZPJMESA-N 464.570 2.145 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@H]2CCCN2CCCO)CC1 1740697478 GAJIKCUMKJKWTG-QGZVFWFLSA-N 493.475 2.371 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](C)c2nc(C)cs2)CC1 1740704949 XVFGUBROXCPVQO-HNNXBMFYSA-N 452.588 2.213 30 10 JEEE C=CCCCCn1c(-c2cnccn2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1740861619 SIQXNXFERYWRCI-KNQAVFIVSA-N 452.607 2.470 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc(Cn2nc(C)cc2C)n1CC(=O)N1CCOCC1 1740920742 VIILRLHOOBYSSM-UHFFFAOYSA-N 467.549 2.330 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCN(C(=O)NCC)CC1 1740955876 CULXRONHNXZGRY-UHFFFAOYSA-N 494.369 2.000 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1C[C@@H](C)O[C@H](C)C1 1740959457 WHKXPMKROCQTTR-IAGOWNOFSA-N 465.558 2.152 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCC(C)C 1740959717 DBSHRGXIIOHSHB-KRWDZBQOSA-N 450.584 2.371 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1c1ccc(C)cc1 1740992267 NRJQVPHRZIYXBL-WOJBJXKFSA-N 478.640 2.431 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1740994737 SVRDMSHYCJPOLU-OAQYLSRUSA-N 465.664 2.160 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(CC)(CC)NC(=O)OC(C)(C)C 1748639433 HAMNPIQKYPRBIV-HOTGVXAUSA-N 470.640 2.430 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC1CC1)[C@@H]1CCS(=O)(=O)C1 1748807968 FHLSUBBYSHZFIA-QGZVFWFLSA-N 460.556 2.008 30 10 JEEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1749024728 ZPNYFTXRYFAUDS-KRWDZBQOSA-N 492.627 2.328 30 10 JEEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](C)CN1CCN(CC)CC1 1749482702 MNVNPSMRXSHNCS-LJQANCHMSA-N 474.679 2.134 30 10 JEEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1749604355 LRCYPBAYHLIHLK-GOSISDBHSA-N 486.020 2.180 30 10 JEEE C=CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCN([C@H](C)C(=O)NCCCOC)CC1 1749624296 BYCRLMBWYNBPPS-LJQANCHMSA-N 465.602 2.286 30 10 JEEE C=CCNC(=O)Cn1c(N2CC[C@H](Cc3ccc(F)cc3)C2)nnc1[C@]1(OCC)CCOC1 1749682137 OQXQLVXMHPPOSJ-DVECYGJZSA-N 457.550 2.441 30 10 JEEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1 1749739586 HDGYPOIDXNJDIC-UHFFFAOYSA-N 471.624 2.299 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1 1749741178 SAQLWTVOEDVXPI-LJQANCHMSA-N 494.017 2.346 30 10 JEEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCN1CCSCC1 1760170736 ONDFCOYYCSISLX-UHFFFAOYSA-N 451.600 2.354 30 10 JEEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1Cc1ccoc1)[C@@H]1CCS(=O)(=O)C1 1760191488 IMZHEPQCLLLBNH-GOSISDBHSA-N 456.524 2.134 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccnc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1760241185 RMXNQPSCPSRCCE-IBGZPJMESA-N 468.558 2.401 30 10 JEEE C#CCN(CCOC)c1nnc(C2(c3ccccc3)CCC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1760244016 KKEXDVCYBRMZOP-HXUWFJFHSA-N 471.627 2.116 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H]1CC(F)(F)CO1 1760247918 VGCLLCNAMZYDEO-MRXNPFEDSA-N 472.496 2.185 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCCSCC)CC1 1760261376 KWRBRNZKHVRTOD-LJQANCHMSA-N 478.663 2.485 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@@](C)(O)c2ccc(F)cc2)CC1 1760271732 JMDAMRDWZGEESG-AREMUKBSSA-N 476.556 2.277 30 10 JEEE C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)C[C@H](C)C1 1760306460 HOYJFTMUYSWJBM-YDHLFZDLSA-N 462.414 2.002 30 10 JEEE C=C(C)COCCn1c(Cc2ccccc2C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1760357991 LVOXIDCHFGIDFF-HXUWFJFHSA-N 452.559 2.243 30 10 JEEE C=C(Cl)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1760368753 MKYTUZZSFMIWQY-HNNXBMFYSA-N 459.938 2.395 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N1CCN(CC)CC1 1760487023 HMQBXWHJZCUDFU-UXHICEINSA-N 492.715 2.460 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1760525046 RPWXHSSUCMIRJT-IRLDBZIGSA-N 452.603 2.027 30 10 JEEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC(O)(C(F)(F)F)CC1 1760527313 RZNZREZDADWTAA-UHFFFAOYSA-N 467.492 2.268 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1760551326 BCXXAUCLDVBJJS-LJQANCHMSA-N 480.656 2.467 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 1760557858 YAYMCCBUUPKQQW-UHFFFAOYSA-N 459.620 2.071 30 10 JEEE CCC(CC)NC(=O)c1nnc(N(C)[C@H](C)CC#N)n1C[C@]1(N2CCOCC2)CCSC1 1762182709 HEVXFMWBODSRNO-VGOFRKELSA-N 463.652 2.143 30 10 JEEE CCN(CC)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N2CCOCC2)CC1 1766641192 GBSBQLZSHWCWNK-UHFFFAOYSA-N 465.602 2.376 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1772659884 KGGPUMXGVYEYQV-OAQYLSRUSA-N 493.077 2.416 30 10 JEEE COc1cc(OC)cc(-n2cc(/C=N\NC(N)=S)c(-c3ccc(S(C)(=O)=O)cc3)n2)c1 1857807768 ZEZSKKNFGZBIRN-JJFYIABZSA-N 459.553 2.127 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)COc2cccnc2NC(=O)N[C@@H](C(=O)O)C(C)C)nc1C 1858792248 PJLOXJCGVJZRFV-OAHLLOKOSA-N 491.526 2.438 30 10 JEEE COc1cc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2CCN2CCOCC2)cc(OC)c1OC 1862566956 HREUTOXESXYOMN-JOCHJYFZSA-N 497.548 2.205 30 10 JEEE O=C(C1=C(O)C(=O)N(CCCN2CCCC2=O)[C@H]1c1ccc(O)c(O)c1)c1ccc2c(c1)OCO2 1862626955 JEOKPLLAMDAVSA-QFIPXVFZSA-N 480.473 2.417 30 10 JEEE C=CCNS(=O)(=O)c1ccc2nc(NC(=O)Cc3ccccc3S(C)(=O)=O)sc2c1 1866156105 QHGOIQFBFUNSBH-UHFFFAOYSA-N 465.578 2.345 30 10 JEEE N#Cc1nnn(Cc2ccccc2)c1NC(=O)CCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1870110831 KMUBWKBQGKNNRZ-UHFFFAOYSA-N 459.422 2.121 30 10 JEEE COCCCN1C(=O)c2ccc(C(=O)Nc3c(C#N)nnn3-c3cc(OC)cc(OC)c3)cc2C1=O 1870141845 NFDZBTZTCLUHJH-UHFFFAOYSA-N 490.476 2.041 30 10 JEEE COc1ccc(-n2nnc(C#N)c2NC(=O)c2ccc(N3C[C@@H](C(=O)O)CC3=O)cc2)cc1Cl 1870150857 IRXGXCOWNRQWDR-ZDUSSCGKSA-N 480.868 2.491 30 10 JEEE N#Cc1nnn(-c2ccc(Br)cc2)c1NC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 1870155503 QCKXNGOLPKIHHH-UHFFFAOYSA-N 496.237 2.044 30 10 JEEE C=CCn1cc(OCC(=O)Nc2ccc(C)cc2)c(=O)cc1CN1CCN(c2ncccn2)CC1 1870711739 VKIGNCHNNNYKBJ-UHFFFAOYSA-N 474.565 2.472 30 10 JEEE C#CCN(C(=O)C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O)C1CCN(C(=O)OC(C)(C)C)CC1 2136179755 LYMAWDAUDNLDCX-PKOBYXMFSA-N 465.591 2.466 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@H]2[C@H](C(=O)NCc3ccc(B4OC(C)(C)C(C)(C)O4)cc3)[C@H]21 2185151930 RHKOOURZXRAGRG-GUDVDZBRSA-N 458.364 2.236 30 10 JEEE CC(C)(C)OC(=O)N1CC2(CC[C@H](C(=O)Nc3cc(B4OC(C)(C)C(C)(C)O4)ccn3)O2)C1 2206616094 FOQHGQAZABZHLO-MRXNPFEDSA-N 459.352 2.488 30 10 JEEE Cn1nncc1C1(Oc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)CN(C(=O)OC(C)(C)C)C1 2241104750 OLRIRBOCPJDTMB-UHFFFAOYSA-N 457.340 2.034 30 10 JEEE CN(C(=O)OC(C)(C)C)C1CN(C(=O)c2nn(C)c(Cl)c2B2OC(C)(C)C(C)(C)O2)C1 2255820331 OMVAOJGQTILMRS-UHFFFAOYSA-N 454.764 2.064 30 10 JEEE CN(C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CC[C@H]1NC(=O)OCc1ccccc1 2255832302 KCBPYEKPTMRIIB-RTBURBONSA-N 468.363 2.249 30 10 JEEE CC(C)(C)OC(=O)NC[C@H](O)CCC(=O)NCc1sccc1B1OC(C)(C)C(C)(C)O1 2256617368 IZOQVKQAHDGUTE-CQSZACIVSA-N 454.398 2.329 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1COCC[C@H]1NC(=O)OC(C)(C)C 2267123081 ATDSRJFVHUKCKM-KGLIPLIRSA-N 467.397 2.163 30 10 JEEE COCC1(NC(=O)OC(C)(C)C)CC(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)C1 2267145208 CKNCPPMYZIGOBM-UHFFFAOYSA-N 467.397 2.244 30 10 JEEE Cc1csc(C(=O)N2C[C@H](O)C[C@@H]2CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267150280 CYAWTAIMBYBZEO-HUUCEWRRSA-N 466.409 2.456 30 10 JEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NCC1(CO)CN(C(=O)OC(C)(C)C)C1 2267518309 CYXIKUQXUKWYMH-UHFFFAOYSA-N 466.409 2.315 30 10 JEEE COC1(CCNC(=O)OC(C)(C)C)CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)C1 2267531184 MPGWBNQOTQHBFV-UHFFFAOYSA-N 467.397 2.198 30 10 JEEE CC[C@@](C)(O)CN(Cc1ccccc1)S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2267710563 XPZQQYZLISUFFO-JOCHJYFZSA-N 463.409 2.071 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2[C@H](NS(=O)(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)cc3)[C@H]2C1 2267718116 OHJYOKLRMQKIGW-PIIMJCKOSA-N 464.393 2.129 30 10 JEEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)CN1CC(NC(=O)OC(C)(C)C)C1 2268638546 UQNMOLKUYBJHJQ-UHFFFAOYSA-N 465.425 2.215 30 10 JEEE C[C@@H](NC(=O)c1cccc(F)c1B1OC(C)(C)C(C)(C)O1)C1(O)CN(C(=O)OC(C)(C)C)C1 2281783807 PTTXPPMSVRJWJK-CQSZACIVSA-N 464.343 2.225 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2COC[C@H]2NC(=O)OC(C)(C)C)c1 2281823062 WQAIGHRMGVAASS-ZWKOTPCHSA-N 462.352 2.016 30 10 JEEE Cc1cnc(C(=O)NC[C@@H]2COCCN2C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2281957646 OCBMYSNPOYEURE-MRXNPFEDSA-N 461.368 2.055 30 10 JEEE Cc1nn(C)c(C(=O)N[C@@H]2C[C@@H]3[C@H]2CCN3C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2281988518 NUSQGLSWAMSQSB-ARFHVFGLSA-N 460.384 2.155 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2Cl)[C@H](CO)C1 2281997337 AFFOQEOBJALUNT-HNNXBMFYSA-N 481.786 2.088 30 10 JEEE CC1(C)OB(c2cnc(C(=O)NC[C@H]3CNCCN3Cc3ccccc3)c(Cl)c2)OC1(C)C 2282002585 QFHNEEKJJWECLQ-LJQANCHMSA-N 470.810 2.238 30 10 JEEE 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]1C 2282004309 IRZXVAXOEDDUTQ-GOEBONIOSA-N 462.400 2.403 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]3C2)n1 2282042030 FAHGCRQALSAPLJ-CVEARBPZSA-N 460.384 2.048 30 10 JEEE CCn1cc(C(=O)NC2(C3CN(C(=O)OC(C)(C)C)C3)CC2)nc1B1OC(C)(C)C(C)(C)O1 2282043011 KPINRLLGHUTTFV-UHFFFAOYSA-N 460.384 2.332 30 10 JEEE 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)cnn1C 2282044817 WMAFXQUKEYCJDF-OWCLPIDISA-N 460.384 2.047 30 10 JEEE CCn1cc(C(=O)N2[C@H]3CC[C@@H]2CN(C(=O)OC(C)(C)C)C3)nc1B1OC(C)(C)C(C)(C)O1 2282047394 XTAHXBRIUJBXGX-IYBDPMFKSA-N 460.384 2.426 30 10 JEEE CC(C)(C)OC(=O)NC[C@@]12CN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)sn3)C[C@H]1CCO2 2282062349 XGICLYYZGUHGIY-JLCFBVMHSA-N 479.408 2.198 30 10 JEEE C[C@@H](NC(=O)c1c(F)cccc1B1OC(C)(C)C(C)(C)O1)C1(O)CN(C(=O)OC(C)(C)C)C1 2282465320 GUPVGBCQAYXMOZ-CQSZACIVSA-N 464.343 2.225 30 10 JEEE C[C@H](CNC(=O)c1coc(B2OC(C)(C)C(C)(C)O2)c1)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 2282534849 ITYGNJRKBNSEFX-IQMFZBJNSA-N 464.368 2.317 30 10 JEEE CC(C)(C)OC(=O)NCC12CC(CNC(=O)c3occc3B3OC(C)(C)C(C)(C)O3)(CO1)C2 2282538484 HDFLYMCMZYMZAQ-UHFFFAOYSA-N 462.352 2.383 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CCC2(C)C)n1 2282539585 WOYOGWLLIRNPMF-INIZCTEOSA-N 462.400 2.485 30 10 JEEE Cn1cc(C(=O)N[C@@H]2C[C@H](NC(=O)OC(C)(C)C)C23CCC3)nc1B1OC(C)(C)C(C)(C)O1 2282550469 ZKCMBEPDLSIXIV-CVEARBPZSA-N 460.384 2.285 30 10 JEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@H]1C[C@H](NC(=O)OC(C)(C)C)[C@H](O)C1 2282575044 XOAKTGBOEYDSAS-BHYGNILZSA-N 464.368 2.281 30 10 JEEE Cn1nc(C(=O)N[C@@H]2CCCC23CN(C(=O)OC(C)(C)C)C3)cc1B1OC(C)(C)C(C)(C)O1 2282612506 UEQHFKAINHTPGK-MRXNPFEDSA-N 460.384 2.239 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CCCN2C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2283068360 JEQYZTAINWQPDT-HZPDHXFCSA-N 458.368 2.247 30 10 JEEE CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2283957230 OTDBWACREZAZGZ-OAHLLOKOSA-N 482.408 2.428 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1COCC[C@@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2283992182 YHLYSNOYOXFFSF-HOCLYGCPSA-N 465.331 2.388 30 10 JEEE CC(C)(C)OC(=O)N[C@H](C(=O)N1Cc2cccc(B3OC(C)(C)C(C)(C)O3)c2C1)C1COC1 2284017048 JMZHXSIPPFYJIZ-IBGZPJMESA-N 458.364 2.368 30 10 JEEE CN(CCNC(=O)OC(C)(C)C)CC(=O)N1CCc2ccc(B3OC(C)(C)C(C)(C)O3)cc21 2284069196 NJVWZTKCSOHQMD-UHFFFAOYSA-N 459.396 2.331 30 10 JEEE CN[C@H](C#Cc1ccc(Br)cc1)[C@]1(NC(=O)OC(C)(C)C)CCS(=O)(=O)C1 2296309773 ALKKJDVPNQCCGJ-APWZRJJASA-N 457.390 2.471 30 10 JEEE COC(=O)[C@@H](CNC(=O)OC(C)(C)C)Oc1ncc(Cl)cc1B1OC(C)(C)C(C)(C)O1 2317256335 NZFQSKLDWFKIOH-CQSZACIVSA-N 456.732 2.479 30 10 JEEE COc1ccc(Br)cc1C=NNc1cnn([C@H]2CCS(=O)(=O)C2)c(=O)c1Cl 2322615691 LCCXYEDNGVEQRX-LBPRGKRZSA-N 475.752 2.473 30 10 JEEE COc1nc(O[C@H]2COCC[C@H]2NC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2339835929 VPNZAOZRHGHIDD-CVEARBPZSA-N 450.341 2.450 30 10 JEEE COc1ccc(NC(=O)C2(O)CC(NC(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2365292424 SMVMCVVVOKQSDM-UHFFFAOYSA-N 462.352 2.351 30 10 JEEE CC(C)(C)OC(=O)N1CC(c2c[nH][nH]c2=NC(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)C1 2380487391 JKIGLYQBYWXERN-UHFFFAOYSA-N 458.324 2.310 30 10 JEEE COc1cc(/C=N/Nc2nnc(SCC(=O)NCc3ccc(F)cc3)n2N)cc(OC)c1OC 20827261 HTJDBXNDTMQJJG-OPEKNORGSA-N 489.533 2.011 30 10 JEEE C=CCn1c(=O)c2sc(N3CCCCC3)nc2n(CC(=O)Nc2ccc(OC)cc2OC)c1=O 21655641 NZDYPMGSPRDZFV-UHFFFAOYSA-N 485.566 2.452 30 10 JEEE CCOc1ccc(N2CCN(CC(=O)NC3CCC(Oc4nccnc4C#N)CC3)C2=O)cc1 585355322 DBYPGZDILPIXBR-UHFFFAOYSA-N 464.526 2.495 30 10 JEEE CCc1cccc(OC[C@H](O)Cn2c(N/N=C/c3ccc(C)cc3)nc3c2c(=O)n(C)c(=O)n3C)c1 606630516 SVPPOMASLNETJT-RXJBCPCZSA-N 490.564 2.190 30 10 JEEE CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)NCc1ccc(C#N)cc1F 609252043 BVLOVOBNLHJXJN-UHFFFAOYSA-N 462.503 2.439 30 10 JEEE CCc1ccc(-n2c(=C(C#N)C(=O)NC(C)C)sc(=Cc3cnn4ccccc34)c2=O)cc1 729668866 SMFKJXFECLMMNZ-UHFFFAOYSA-N 457.559 2.137 30 10 JEEE CC#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC[C@@H](O)C(=O)O 757210427 MCSWOYBNMZBMRV-FCHUYYIVSA-N 450.491 2.259 30 10 JEEE C=CCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2cnn(-c3ccccc3)n2)c1=O 837285323 NQPJXWAHOZGZTK-UHFFFAOYSA-N 469.526 2.071 30 10 JEEE CCOC(=O)NC(=O)CSc1n[nH]c(NN=Cc2c(C)nn(-c3ccccc3)c2N(C)C)n1 1084072583 HRVSMIGNQMBHLX-UHFFFAOYSA-N 471.547 2.176 30 10 JEEE COc1cc(NC(=O)CSc2nnc(NN=Cc3ccc([N+](=O)[O-])cc3)n2N)cc(OC)c1 1084227946 DACUHAWXMKRCIY-UHFFFAOYSA-N 472.487 2.094 30 10 JEEE N#Cc1ccc(N2CCC[C@@H](NS(=O)(=O)[C@@H]3CCCN(C(=O)C4CCCC4)C3)C2=O)cc1 1189125180 ACBDCHCTCJDUJW-NHCUHLMSSA-N 458.584 2.154 30 10 JEEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(COCCc3ccccc3)c2)CC1 1214926658 LNXBGOJEZPIUNH-UHFFFAOYSA-N 456.568 2.063 30 10 JEEE C#Cc1cccc(NC(=O)CNC(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCCC3)c2)c1 1217135490 MEOSHJVTYSPJCE-UHFFFAOYSA-N 456.524 2.221 30 10 JEEE C#CCN1CCC[C@@H](NC(=O)N2CCN(C(=O)COc3ccc(Cl)cc3Cl)CC2)C1 1248677197 XDCDDMFNDKHOQQ-QGZVFWFLSA-N 453.370 2.324 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccsc1Br)[C@@H]1CCS(=O)(=O)C1 1286395848 SOMZEQXXFVKVHO-LSDHHAIUSA-N 485.429 2.281 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1286422990 PDKWJDYVSRNHRR-SIKLNZKXSA-N 483.535 2.046 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1COCCO1 1286431712 XWHJSSRZVCZFOF-UXHICEINSA-N 457.575 2.271 30 10 JEEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1286449865 JIPXJZBXTWOCAC-KRWDZBQOSA-N 479.614 2.230 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H](c2cccs2)N(C)C)CC1 1286472815 LQRHLEGZSFPBBT-XXBNENTESA-N 458.632 2.050 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(OC(F)F)cc2)CC1 1286645626 GRPYMFDQOGLGEA-GOSISDBHSA-N 483.541 2.417 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC(C(=O)NC)CC1 1286817505 MHPFCQAQQKCCDT-UHFFFAOYSA-N 482.610 2.365 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](COC)C1 1286824749 HWQLABSHTOJFHZ-ROUUACIJSA-N 483.635 2.424 30 10 JEEE CC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCSCC2)CCN1CCOC 1293541178 HPJUDUHXIXIPKV-QFIPXVFZSA-N 469.659 2.413 30 10 JEEE C#CCNC(=O)C1CCN(C(=O)c2cc(S(=O)(=O)NC3CC3)c(Cl)cc2Cl)CC1 1296947647 WGBZXCDVYVMDGW-UHFFFAOYSA-N 458.367 2.036 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1ccc(OC(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 1300496134 ONOHPOUPYCLBQS-QZTJIDSGSA-N 480.537 2.449 30 10 JEEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1300559134 JUZFCTDORSRUBR-RQTOMXEWSA-N 457.619 2.281 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2C[C@@H](F)COC)CC1 1300719674 LKEQJOCCVLEUAS-HXUWFJFHSA-N 465.533 2.081 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@](C)(O)c2cccs2)CC1 1300722471 KDIJUKGGIFMBKT-JPYJTQIMSA-N 457.600 2.455 30 10 JEEE C=C(Br)Cn1c(COc2ccccc2F)nnc1N1CCN2C(=O)NC[C@H]2C1 1300861155 AGBLKWMYXOBDBQ-ZDUSSCGKSA-N 451.300 2.119 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC=CCO1 1301403553 ZXQSBRUDTJCSPT-YADHBBJMSA-N 487.626 2.191 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1301510061 RYNXEGYWZDBDRP-VQTJNVASSA-N 452.559 2.024 30 10 JEEE Cc1ccc(C)c(OCc2nnc(N(C)C[C@H](C)C#N)n2C[C@H]2CCCN2S(C)(=O)=O)c1 1304281547 BRERTEFCFHBBNS-IEBWSBKVSA-N 460.604 2.494 30 10 JEEE COc1cc2c(cc1Cn1c([C@@H]3CCS(=O)(=O)C3)nnc1N(C)C[C@@H](C)C#N)O[C@@H](C)C2 1315359396 FHYZLTACALQUCN-HRCADAONSA-N 459.572 2.156 30 10 JEEE C=CCN1C(=O)C(=O)N(CC(=O)NC2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)C1=O 1357574307 NNZQRWLOVRTEDZ-UHFFFAOYSA-N 453.326 2.051 30 10 JEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1ccc(NC(C)=O)nc1 1358940052 MRQTUUOVPKOFDM-UHFFFAOYSA-N 466.571 2.018 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1CCc1cccc(C(=O)NC)c1)[C@@H]1CCS(=O)(=O)C1 1358957547 VUOLTMIYLJYCCH-YLJYHZDGSA-N 457.600 2.021 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOc1ccc(F)c(Cl)c1 1358978323 JJHJNJFOQFOKOR-OAHLLOKOSA-N 450.923 2.125 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCCC(=O)NC2CC2)CC1 1359035414 SVHBNWWOHUJKHO-FQEVSTJZSA-N 499.660 2.207 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@H]2NC(=O)CC2(C)C)CC1 1359041180 PEFFXLOGAGSPPI-DYESRHJHSA-N 496.587 2.438 30 10 JEEE C=C(C)COCCn1c(CCc2ccc(OC)cc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1359135878 QVOVJOBJNONGKY-UHFFFAOYSA-N 482.585 2.185 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1359295674 KKRUPQBENICRDQ-OAHLLOKOSA-N 461.954 2.399 30 10 JEEE CC1=C(Br)CN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(C)(=O)=O)CC1 1360851240 FMYPBKWXUDJDEE-UHFFFAOYSA-N 465.377 2.245 30 10 JEEE CC#CC[C@H](CO)NC(=O)c1ccc(OC)c(S(=O)(=O)NCc2ccc(Cl)cc2)c1 1452856744 GKQKHORYIUPLQU-GOSISDBHSA-N 450.944 2.331 30 10 JEEE COc1ncc(NC(=O)CNC(=O)[C@@H]2c3ccccc3C(=O)N2Cc2ccccc2)cc1C#N 1455604434 FADHRXTVLOGEAD-QFIPXVFZSA-N 455.474 2.414 30 10 JEEE CCCC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCOCC2)C1 1499877139 AKWLHQVMSWNHRB-FQEVSTJZSA-N 452.559 2.243 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CC2(COC)CCC2)c1 1507549967 CWDBYJPYLUWOOY-LJQANCHMSA-N 450.543 2.102 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@]1(O)CCO[C@H]1C 1507650706 QVABWGJRNPWMLN-GLDPYIMESA-N 457.575 2.005 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCOCC(F)F 1507671681 OBYMUNQUSPOWDU-KRWDZBQOSA-N 467.517 2.331 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CCc2cccc(C(=O)NC)c2)CC1 1507734523 OKMLJVHGWPHLTN-UHFFFAOYSA-N 474.565 2.415 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCN(C)CCCC)CC1 1507739659 SUKCIODDGTVYFK-QHCPKHFHSA-N 480.613 2.488 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1507792905 BNEYJEWUBIAJSC-FCEUIQTBSA-N 455.559 2.276 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1507800993 QUDWLKACJDYJLD-BJLQDIEVSA-N 485.589 2.446 30 10 JEEE C=CCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCCC[C@H](S(C)(=O)=O)C2)cc1 1508100325 IRQXMEWCPFHMJQ-VQTJNVASSA-N 473.599 2.246 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CC[C@]3(CCOC3)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1508148953 LSDOQYRLCVKCJG-IXFSTUDKSA-N 495.646 2.266 30 10 JEEE COc1cc(Cl)ccc1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](C#N)C1 1518019696 AQRMRUZYIOGPFD-INIZCTEOSA-N 453.890 2.364 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(=O)NCC=C 1539390427 PALFXHQWRLNMFZ-UHFFFAOYSA-N 495.584 2.319 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CC[C@H](F)C2)CC1 1539489173 RIYAZZUZOJOMQB-AEFFLSMTSA-N 472.590 2.374 30 10 JEEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cc2c(cc1OC(F)F)OCO2 1539683453 PQYLWUZMDBKIHM-LBPRGKRZSA-N 473.502 2.431 30 10 JEEE C=CCN(Cc1cccs1)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1540140219 RKYXNHBQVAZPDK-QGZVFWFLSA-N 478.644 2.050 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H](c2ccco2)C1 1540864452 AKCUGEJVFULUPN-KRWDZBQOSA-N 455.540 2.238 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1540872070 BKIFUNMWCLHVRW-CABCVRRESA-N 453.996 2.082 30 10 JEEE C=CCNC(=O)Cn1c(N2CCO[C@H](c3ccccc3)C2)nnc1[C@]1(OC(C)C)CCOC1 1540876572 VNKBUSYIFUPTRX-RDPSFJRHSA-N 455.559 2.199 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCC(N2CCCCC2)CC1 1540903655 DYBUOXBUTUOQEZ-UHFFFAOYSA-N 458.632 2.319 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccsc1Br 1541105013 DGNYMOBHHOVPJV-WDEREUQCSA-N 461.411 2.356 30 10 JEEE C[C@H]1C[C@@H](C)CN(CCCn2c(COc3ccc(C#N)cc3)nnc2N2CCNC(=O)CC2)C1 1543614118 HEQGDYWPTTXECV-BGYRXZFFSA-N 465.602 2.423 30 10 JEEE CO[C@@H](Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@](F)(C#N)C1)C(C)C 1554635323 DSFSWHANSRUTEA-GHTZIAJQSA-N 464.567 2.308 30 10 JEEE C#CCCCn1c(-c2cccn2C)nnc1N1CCN(Cc2nc([C@@H](C)OCC)no2)CC1 1587838476 WPADJGCKWLSRCX-GOSISDBHSA-N 452.563 2.500 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CCCC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1588065059 SPRMFTWYMYLZDW-NRFANRHFSA-N 457.600 2.097 30 10 JEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1CCc1nccs1)[C@H]1CCS(=O)(=O)C1 1588065309 WNCACQBJTMNAMF-IBGZPJMESA-N 485.635 2.398 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccccc1)N1CCCC1 1588139121 MFAOKCZHRQMTDB-FCHUYYIVSA-N 451.596 2.090 30 10 JEEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1cccnc1OC 1588276815 ZYSRBJUNOGYDNN-UHFFFAOYSA-N 453.572 2.458 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CC1(c2ccc(F)cc2)CCOCC1 1588638553 SYTUUNLZBXJPBX-HXUWFJFHSA-N 455.534 2.203 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2CCCS(=O)(=O)c2ccccc2)CC1 1588930352 TZNSYOLUJVMPQM-UHFFFAOYSA-N 469.611 2.375 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCN(C)C1CCCCC1 1589215882 HCMZHUKZHLWDSK-ZJSXRUAMSA-N 492.690 2.258 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CCN(CCOC)C(=O)C1 1589506402 VTQMULOAPJQPME-KNQAVFIVSA-N 455.559 2.230 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(Cl)c1)C1CC1 1595058652 SFHQZCFUGFLUSP-SFHVURJKSA-N 451.980 2.468 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@H](C(=O)OC)C1 1595501351 QMBCRGVWCBJPOZ-HNNXBMFYSA-N 462.348 2.318 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1CCN(C(=O)C(C)C)CC1 1595595438 UVMFJTSXYJOBJU-UHFFFAOYSA-N 472.615 2.186 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@H](C)CC1 1595765452 AZPYKHNRVKBYNN-GOSISDBHSA-N 495.671 2.423 30 10 JEEE C=CCS(=O)(=O)CCn1c(CSc2ccc(C)cc2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1595830346 AIYRKPOTWIZLTQ-MJGOQNOKSA-N 491.639 2.414 30 10 JEEE CC(C)NS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H]1[C@H]1CCCO1 1610312657 BIHOCUSUCGTWRH-LEWJYISDSA-N 488.614 2.204 30 10 JEEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2C[C@@H](CO)[C@@H](O)C2)c1 1637678139 IGNLWZOAGVEBHJ-YWZLYKJASA-N 450.944 2.147 30 10 JEEE N#Cc1cn(CCNC(=O)CCc2cc(C(F)(F)F)ccc2Br)c(=O)nc1O 1641970295 GAHLNJPWBAHFMU-UHFFFAOYSA-N 459.222 2.351 30 10 JEEE CC(=O)N1CCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CC12CCCCC2 1645175471 ABADYXIVLQEYJJ-QHCPKHFHSA-N 455.578 2.402 30 10 JEEE C#CCOc1ccccc1CNC(=O)NCc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 1676057477 DZNZPEJHLKHHEP-HXUWFJFHSA-N 457.552 2.155 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2CCCCN2CCOCC2)c1 1689870068 AOUQIDYWJYGOFM-UHFFFAOYSA-N 461.570 2.442 30 10 JEEE C#CCN(CC)c1nnc(-c2ccc3c(c2)OCO3)n1CCNS(=O)(=O)c1ccc(C)s1 1690067908 PFPZXFUTZZHPTF-UHFFFAOYSA-N 473.580 2.482 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@@H](C)N2CCOCC2)CC1 1690137528 BZENKIOMEDHTRF-WOJBJXKFSA-N 498.603 2.244 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@]2(OC)CCOC2)CC1 1690137808 JGUJYTGIKZAKSB-IQGLISFBSA-N 485.560 2.329 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCc2ccccc2Cl)CC1 1690150259 ATRRTFWDXBUVCR-UHFFFAOYSA-N 468.989 2.262 30 10 JEEE C=C(C)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(CCOC)[C@@H](C)C1 1690275980 BIJZYTMCCFDXHB-KRWDZBQOSA-N 461.636 2.280 30 10 JEEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1690361193 KCEJMOQRZKJWJS-VFSLUADLSA-N 495.068 2.381 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(=O)NCC(F)(F)F)C1 1690689996 PKVSMJVBBNBULU-HNNXBMFYSA-N 454.409 2.313 30 10 JEEE CC[C@H](C)[C@](C)(O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C#N)C1 1693928029 FYGNOFLSEAKEMQ-LZFQIVBZSA-N 460.966 2.387 30 10 JEEE CC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CC2)C[C@H](C)O1 1694965819 AAGMDGCDSSYNBD-WMZOPIPTSA-N 459.572 2.310 30 10 JEEE CCOC[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1696360988 AVPORGMQQGTEGH-UXHICEINSA-N 472.615 2.351 30 10 JEEE COc1ccc(Br)c(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@]2(OC)CCOC2)c1 1697320684 AUZXEWRXVSRKLL-FOIQADDNSA-N 478.347 2.250 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCN1CCC[C@@H](C)C1 1705482253 VYAGRPZTQOUVQT-MOPGFXCFSA-N 458.632 2.385 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1CCC(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 1705568612 RHUJELFIMDMABA-HXUWFJFHSA-N 487.626 2.015 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@]1(C)CN(C2CC2)C1=O 1705592307 UFPRPPFFWXGRKS-SANMLTNESA-N 477.565 2.445 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1705652228 SKTJBWWTCDABBD-JKSBSHDWSA-N 456.572 2.065 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@H]2CCN(c3ccccc3OC)C2)CC1 1705652525 CHYACUCWQRWGJT-FQEVSTJZSA-N 480.613 2.316 30 10 JEEE C=CCCOCCn1c(Cc2ccccc2F)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1705831085 GASKSSZWTNCZIL-KRWDZBQOSA-N 451.568 2.071 30 10 JEEE CC(=O)NC[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCOC(C)(C)C2)C1 1706036159 ABPZMGYRMWCEAI-OAQYLSRUSA-N 465.602 2.280 30 10 JEEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2Cc2ccc(OC(F)F)c(F)c2)CCOC1 1710482433 FRBDIHFKCWRNPV-QVKFZJNVSA-N 467.448 2.448 30 10 JEEE CN(C)C(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 1710980330 ACLUCKXIJCUWCH-OAQYLSRUSA-N 499.641 2.126 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@H]1CC[C@H](CO)O1 1722293582 RZAXUOTUSNTPSA-FGTMMUONSA-N 450.543 2.063 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C)n2C[C@@H]2CCCN2c2cc(NC)ncn2)c1 1722304968 KCCURDSIGFGPRR-FQEVSTJZSA-N 459.558 2.143 30 10 JEEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCn1cc([C@@H]2CCOC2)cn1 1722341882 FOCCRNBHHOJIEK-GOSISDBHSA-N 467.961 2.332 30 10 JEEE C#CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1C[C@H]1CCN(S(C)(=O)=O)C1 1722346479 RELIPGZVEDLHBE-AWEZNQCLSA-N 482.404 2.067 30 10 JEEE C#CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1[C@@H]1C[C@H]1CF)[C@@H]1CCS(=O)(=O)C1 1722369796 HGQPVEXQVANTHJ-QXDIGNSFSA-N 481.594 2.206 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2CCCN2CCCCCC2=O)CC1 1722438836 DIZYGZMYMFFQLG-UHFFFAOYSA-N 464.614 2.425 30 10 JEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](Cc2ccc(F)cc2)C1 1722451033 FKGDNZXZCQBLNI-SJLPKXTDSA-N 465.620 2.463 30 10 JEEE C=C(Br)Cn1c(C2CC2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1722482897 DFLYCYUIOPTQME-KBXCAEBGSA-N 451.413 2.443 30 10 JEEE C=CCCOCCn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1722624048 RFZMARMDVVKDEF-UHFFFAOYSA-N 487.004 2.462 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](c2ccc(Br)cc2)C1 1722698007 AYGRWCLILLAVQB-FUHWJXTLSA-N 476.375 2.425 30 10 JEEE C=CCS(=O)(=O)CCn1c(CSc2ccc(C)cc2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1722731413 KAJAOLVWKFFJNE-HDICACEKSA-N 450.586 2.041 30 10 JEEE C[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@H](C)CC#N)N1CCN(c2ccccc2)CC1 1723831872 GRYYJKUNQOZKGQ-SBHAEUEKSA-N 450.591 2.178 30 10 JEEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CCc1cccc(F)c1F)[C@H]1CCS(=O)(=O)C1 1740618172 DDUWAKSGXGUYKI-FDDCHVKYSA-N 494.564 2.078 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@H]1CCCN1CC)[C@@H]1CCS(=O)(=O)C1 1740619866 LXOAFJZYUJLVTI-WOJBJXKFSA-N 457.600 2.065 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@]1(O)CCN(C)C1 1740681808 DIZDMBRAAQKDFM-NRFANRHFSA-N 462.392 2.169 30 10 JEEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccccc1OC 1740683444 HJBFKUNADPEYKN-UHFFFAOYSA-N 468.583 2.381 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(F)cc2F)n1 1740688863 KTCZQHASCXJZHU-HXUWFJFHSA-N 469.496 2.038 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2CC(=O)N(C)C)CC1 1740704602 UQZYUGDZSGMJFK-UHFFFAOYSA-N 480.613 2.424 30 10 JEEE C#CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1740711293 KEGHETBEYJRODQ-QHCPKHFHSA-N 468.583 2.135 30 10 JEEE C#CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCO[C@H](CNC(C)=O)C1 1740713868 SPJYKUVQDUPSLM-QGZVFWFLSA-N 463.991 2.315 30 10 JEEE C=C(Cl)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1740804825 FZEOTLMGBURFEA-UHFFFAOYSA-N 480.903 2.226 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1740955596 ZBHJBZLRYRCIBC-LJQANCHMSA-N 482.585 2.244 30 10 JEEE CCN(CC)CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(OC)nc2)CC1 1746134511 BFQSQSOTRSXIAB-UHFFFAOYSA-N 488.596 2.259 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCC(=O)N1CCCCCC1 1748665725 UNOJDQLBJZHJMA-SFHVURJKSA-N 461.570 2.443 30 10 JEEE C#CCN(c1nnc(-c2cc(F)ccc2Br)n1C[C@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1748810012 YXSYIFRKBWSBLD-GOEBONIOSA-N 498.422 2.424 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1CCc1c(F)cccc1F)[C@@H]1CCS(=O)(=O)C1 1748811162 CMUBBZVFXVLPNV-QGZVFWFLSA-N 457.506 2.488 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1ccccc1OCC)[C@H]1CCS(=O)(=O)C1 1748817536 LXRYZQDVNQSLPE-PMACEKPBSA-N 458.584 2.246 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCCc1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 1748819160 LRGXIMYZPSRMAM-NRFANRHFSA-N 470.574 2.001 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(Br)cc2)n1CC1(S(C)(=O)=O)CC1 1748953514 NVFTVCDZTWESGJ-UHFFFAOYSA-N 467.389 2.371 30 10 JEEE C#CCSCCn1c(-c2cc(Br)cn2C)nnc1N(C)CCCC(=O)NC 1749023163 OLJFFPGJAGURCS-UHFFFAOYSA-N 453.410 2.375 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cnn(Cc2ccccc2)c1 1749193960 UYRJFKJNCDCYIR-NRFANRHFSA-N 485.614 2.068 30 10 JEEE C=CCn1c(-c2ccc(F)cc2Br)nnc1N1CCN(CC(=O)N(C)C)CC1 1749617830 SGGABJCDSLIHGN-UHFFFAOYSA-N 451.344 2.243 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](C[C@H]2CCOC2)C1 1749655487 MHMKNURTOAPKFL-RTBURBONSA-N 487.626 2.294 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1749678118 WPPINQUKYNAEQZ-LJQANCHMSA-N 467.530 2.045 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@]1(C)CCO[C@H]1C1CC1 1751217257 BQHAGNIGXAZYEB-WLKXKRCBSA-N 450.609 2.224 30 10 JEEE C#CCCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1760136656 ZKNWQIFAVXZBEG-UHFFFAOYSA-N 460.586 2.145 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@H]2N(C)CCCC2(C)C)CC1 1760265890 LJMSFGCPVGKELK-TZIWHRDSSA-N 474.650 2.088 30 10 JEEE C=C(Cl)Cn1c(-c2cnn(C)c2)nnc1N1CCC(CC(=O)N2CCN(CC)CC2)CC1 1760372327 FTTHWLMOEWBWOC-UHFFFAOYSA-N 461.014 2.202 30 10 JEEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCC(OCCC(C)C)CC1 1760521252 NODKABZZBFMZNN-UHFFFAOYSA-N 458.563 2.340 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1760551449 GEVVYVICLZISJB-INIZCTEOSA-N 482.532 2.490 30 10 JEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl 1760557647 SKNOCQVATCKLGO-KDOFPFPSSA-N 476.430 2.021 30 10 JEEE CC(=O)N1CCCN(c2nnc(-c3ccc(Cl)cc3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1760598062 LEDVBUOKXXPBPI-LSDHQDQOSA-N 483.960 2.184 30 10 JEEE C[C@H](C#N)CN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCN1CCCS1(=O)=O 1760692633 BRRYATHUTFXASK-QGZVFWFLSA-N 495.650 2.024 30 10 JEEE C[C@@]1(C#N)CCCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1761542092 GSGOZQUCNUHKPX-SFTDATJTSA-N 481.525 2.226 30 10 JEEE CCCNC(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1764548202 DLZPPWVRGWAIOA-IBGZPJMESA-N 452.563 2.029 30 10 JEEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1862616936 WHYSXNYNRRVQDN-GTJPDFRWSA-N 498.444 2.096 30 10 JEEE C=CCn1cc(OCC(=O)N(C)Cc2ccccc2)c(=O)cc1CN1CCN(c2ncccn2)CC1 1870508385 SLPRXXIXWKHZKV-UHFFFAOYSA-N 488.592 2.184 30 10 JEEE C#CCOc1cn(Cc2ccc(S(N)(=O)=O)cc2)c(CNc2cccc([N+](=O)[O-])c2)cc1=O 1871008441 WGYVEYDHFRFYAU-UHFFFAOYSA-N 468.491 2.076 30 10 JEEE C=CCN(CC=C)c1nc(=NCCN2C(=O)CSC2=O)[nH]c(=Nc2ccc(C)c(F)c2)[nH]1 1871578881 UVPAXJMUTRHMHL-UHFFFAOYSA-N 457.535 2.192 30 10 JEEE C=CCn1c(C(=O)Nc2ccc(OCC)cc2)cc2c(N3CCN(CCO)CC3)ncnc21 1873661319 LTCLGWBXMJLDNA-UHFFFAOYSA-N 450.543 2.383 30 10 JEEE C=CCNC(=O)[C@@H](C)[S@@](=O)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1990671563 LVQGBJLFXOQFJD-DFSLVERBSA-N 470.547 2.418 30 10 JEEE CC1(C)OB(c2cnc(C(=O)NC3CN(C(=O)OCc4ccccc4)C3)c(F)c2)OC1(C)C 2247911822 YRYCBAPXPMLVSM-UHFFFAOYSA-N 455.295 2.271 30 10 JEEE Cc1cc(CNC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)O)sc1B1OC(C)(C)C(C)(C)O1 2256618240 OWQONERSJMXTAR-DZGCQCFKSA-N 454.398 2.246 30 10 JEEE CO[C@@H]1CN(C(=O)c2c(C)nsc2B2OC(C)(C)C(C)(C)O2)C[C@H]1NC(=O)OC(C)(C)C 2267125542 GNASMWKLNDWIQZ-ZIAGYGMSSA-N 467.397 2.115 30 10 JEEE CC(C)(C)OC(=O)NCC1(F)CCN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CC1 2267146258 MHOSYUYZHGYLEB-UHFFFAOYSA-N 452.336 2.178 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H]1C[C@@H](F)CN(C(=O)OC(C)(C)C)C1 2267217884 NGCFJZWRMHEADN-CVEARBPZSA-N 451.348 2.402 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)[C@@H]2COC[C@@H]12 2267287353 USRHEZPRQBZULF-RRFJBIMHSA-N 464.393 2.411 30 10 JEEE COc1ccc(S(=O)(=O)N[C@@H](C)CNC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2267464571 IZJFAKQFQNLBMF-AWEZNQCLSA-N 470.397 2.186 30 10 JEEE CC(C)(C)OC(=O)N1CCNC(=O)CCN(C(=O)[C@H]2C[C@H]2B2OC(C)(C)C(C)(C)O2)CC1 2267565924 UKIWIRFIMFRULT-JKSUJKDBSA-N 451.373 2.054 30 10 JEEE CN(Cc1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(=O)[C@@H]1C[C@H](O)CN1C(=O)OC(C)(C)C 2268645609 UXDLOMLVOLUELY-RDJZCZTQSA-N 466.409 2.376 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CCS(C)(=O)=O)C(=O)N[C@@H]1CCC=C1B1OC(C)(C)C(C)(C)O1 2268653507 NXTBSNMBYLFBLH-HZPDHXFCSA-N 472.413 2.151 30 10 JEEE Cn1nc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C2CC2)cc1B1OC(C)(C)C(C)(C)O1 2281961178 JVKFGZPZKMIQDB-CRAIPNDOSA-N 460.384 2.237 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(F)c(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)c1 2282019793 QNUOPHBWEOZKHD-SJORKVTESA-N 464.343 2.143 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2[C@@H]3CCCCN(C(=O)OC(C)(C)C)[C@H]32)n1 2282036236 GDXYMQLLTLTLED-YXJHDRRASA-N 460.384 2.237 30 10 JEEE Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1CO 2282116997 LNJCMLAPVLOXHX-KRWDZBQOSA-N 460.380 2.348 30 10 JEEE Cn1cc(C(=O)N2C[C@H]3C[C@H](NC(=O)OC(C)(C)C)C[C@H]2C3)c(B2OC(C)(C)C(C)(C)O2)n1 2282578619 UKVRQHLABPYJGL-HRCADAONSA-N 460.384 2.237 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1O 2282672978 PJUFNWCPVHRFPI-RBUKOAKNSA-N 460.380 2.394 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H]2[C@H](C1)[C@@H]2CNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2282695897 VDVIUKJWLKPREU-OAGGEKHMSA-N 458.368 2.009 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2C(NS(=O)(=O)Cc3ccc(B4OC(C)(C)C(C)(C)O4)cc3)[C@H]2C1 2282847395 YJFLSWZFYGNIGO-ROUUACIJSA-N 478.420 2.271 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H]1CC[C@@H]1NC(=O)OC(C)(C)C 2282871494 IBLMGYUMWWNTLT-JKSUJKDBSA-N 482.408 2.328 30 10 JEEE C[C@H]1CC[C@@H](NC(=O)C(F)(F)F)CN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1O 2282983671 RPWMMQNYPDKQHA-GXTWGEPZSA-N 456.270 2.363 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@H]2[C@@H](C(=O)Nc3ncc(B4OC(C)(C)C(C)(C)O4)cc3F)[C@@H]21 2284039081 WXJZZLYCXQPONV-HRCADAONSA-N 463.315 2.093 30 10 JEEE COCC1(C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)CC(NC(=O)OC(C)(C)C)C1 2284051562 QCARUYIMBMBDFO-UHFFFAOYSA-N 481.424 2.378 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CS(C)(=O)=O)C(=O)N1CC[C@H]2C[C@]2(B2OC(C)(C)C(C)(C)O2)C1 2335399047 FPGGEHZMKCDZAP-ZSDSOXJFSA-N 472.413 2.009 30 10 JEEE COc1nc(OC[C@H]2COC[C@@H]2NC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2339826119 SAVYZTLVWXZDDI-ZBFHGGJFSA-N 450.341 2.308 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2C[C@H]3C[C@@H]2N(C(=O)OC(C)(C)C)C3)n1 2359531969 QUMCKPGKPZQDJI-UAGQMJEPSA-N 460.384 2.330 30 10 JEEE O=[N+]([O-])c1cc2c(cc1C=NNc1nc(NCc3ccccc3)nc(N3CCOCC3)n1)OCO2 252625205 QFFKEVLOMVAJLE-UHFFFAOYSA-N 478.469 2.403 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)NCCc3cnn(-c4ccccc4)c3)cc2C1=O 853259699 NXTIPIPVHWSMBI-UHFFFAOYSA-N 458.474 2.170 30 10 JEEE C=CCN(C(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)c1nc(C(=O)OCC)cs1 920244187 WENBWEBMHGRCBJ-QFIPXVFZSA-N 454.508 2.232 30 10 JEEE C#CC[C@]1(C(=O)N2C[C@@H](C(F)(F)F)[C@H](S(C)(=O)=O)C2)CCCN1C(=O)OC(C)(C)C 1279033482 VOGPWIZXUMAJME-HBUWYVDXSA-N 452.495 2.213 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CC(=C)Br)c1 1286309256 IYDKJEBSZYWUBC-MRXNPFEDSA-N 457.332 2.194 30 10 JEEE C#CCN(c1nnc(C(C)C)n1Cc1ccc(N2CCOCC2)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1286386185 WDEFISKESKOSDB-LJQANCHMSA-N 475.590 2.052 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1286387395 QRKQTZGNAINWNL-MJGOQNOKSA-N 488.614 2.222 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1CCC[C@H](O)C1)[C@H]1CCS(=O)(=O)C1 1286388344 NQTYKIKYMIZBBK-HOJAQTOUSA-N 488.610 2.140 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1CCNc1ncc(Cl)cc1Cl)[C@H]1CCS(=O)(=O)C1 1286391544 DWNGHELYCCGPCM-HOCLYGCPSA-N 499.424 2.223 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCN1C[C@H](C)C[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1286394100 NFJCSKNGCOKWFF-YSFYHYPLSA-N 477.675 2.167 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCC1CCC(OC)CC1)[C@@H]1CCS(=O)(=O)C1 1286397279 YSIWPJXYARBABB-RKDVLTNBSA-N 464.632 2.394 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)OCC 1286458426 UDRCQHPWCAJKPE-HXUWFJFHSA-N 493.605 2.205 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccc3F)n2C[C@@]2(O)CCSC2)n1 1286471772 QIWOGSXULLHSGZ-QHCPKHFHSA-N 470.574 2.435 30 10 JEEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H]1CCN(Cc2ccccc2)C1 1286621099 ZTXUAUOIEKDZCJ-SJLPKXTDSA-N 453.012 2.352 30 10 JEEE C=CCCCn1c(COc2cc(C)ccc2C)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1286704351 QZEFUYYGQOPOLT-UHFFFAOYSA-N 482.629 2.421 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cnccn2)n1C[C@H]1CCS(=O)(=O)C1 1286740417 LWCLUKJVIIUZBU-GOSISDBHSA-N 454.556 2.371 30 10 JEEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)Cc1ccc(OC)c(O)c1 1286788573 YYLUGSJGRILQNJ-UHFFFAOYSA-N 492.584 2.105 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 1286789204 CDGGIOFLOCRBIY-LJQANCHMSA-N 492.671 2.063 30 10 JEEE C=CCOc1ccc(Cn2c(-c3cccn3C)nnc2N(C)CC(=O)N2CCOCC2)cc1 1286794788 RFFUHOKSYOSHPA-UHFFFAOYSA-N 450.543 2.192 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](c2nc(C)cs2)C1 1286814656 VKKVVIDVURQABP-QGZVFWFLSA-N 478.644 2.264 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CC[C@H](N2CCCC2=O)C1 1286817441 SOFGETAWYNXJGI-INIZCTEOSA-N 463.991 2.400 30 10 JEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc(OC)c2)CC1 1286832047 GZLGZXRHSZTUDI-GOSISDBHSA-N 477.656 2.435 30 10 JEEE CC(C)(C)OC(=O)N1CCC(c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@H]2COCCO2)CC1 1287049855 AOYBMEPMFFYWBU-HTAPYJJXSA-N 464.542 2.250 30 10 JEEE C[C@H]1OCC[C@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(O)(C(F)(F)F)CC1 1291320761 AEQWILHDFDTAJN-KUHUBIRLSA-N 451.449 2.250 30 10 JEEE CCS(=O)(=O)NCCn1c(Cc2cccnc2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1297785141 BWCYJLBFWJJYRB-UHFFFAOYSA-N 495.609 2.123 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@H]1N(C)CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1300499921 ZPDDYSKYHGQAQW-LEWJYISDSA-N 470.643 2.011 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1300521621 ZQCGFJVIVFDCLD-UHFFFAOYSA-N 460.538 2.281 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1COc2ccccc2O1 1300537720 JMDXGAWXUBOXOS-PMACEKPBSA-N 493.564 2.499 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2c(F)cccc2OC(F)F)CC1 1300719989 YIAZGSYKSHWDML-UHFFFAOYSA-N 485.470 2.490 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H](Cc2ccccc2)OC)CC1 1300726390 OGDGKXIETZFUJU-FCHUYYIVSA-N 451.571 2.006 30 10 JEEE C#CCSCCn1c(-c2ccc(Cl)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1300744837 BIIYZQGCCNZVDP-UHFFFAOYSA-N 454.021 2.437 30 10 JEEE C=C(Br)Cn1c(N2CCN(c3ncccn3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1300863972 WYYBEHRMWOYJLQ-HXUWFJFHSA-N 478.395 2.344 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1300988804 JTGXCNBBGBHNKP-KURKYZTESA-N 483.635 2.122 30 10 JEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)Nc2ccc(C)cn2)CC1 1301196607 FTKYAKDHKLDMBQ-KRWDZBQOSA-N 475.619 2.413 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1301515824 ZRALZUBNCFLZQM-UHFFFAOYSA-N 483.617 2.406 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1301577354 NGRJGHSCZPCGHR-KRWDZBQOSA-N 491.614 2.009 30 10 JEEE CC(C)NC(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1303422630 DNSVRACHOIOARE-UHFFFAOYSA-N 467.574 2.250 30 10 JEEE Cc1ccc(C)c(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCN2CCN(C)C(C)(C)C2)c1 1304290621 DYKYFESYWSGILH-NRFANRHFSA-N 467.618 2.229 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc(C)o3)n2CC2(C(N)=O)CCOCC2)c1 1358901761 WBHDRMBQVLTTHF-UHFFFAOYSA-N 476.537 2.185 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1ccc([C@@H](C)O)cc1)[C@H]1CCS(=O)(=O)C1 1358961492 ACOIHHQYDLXFKS-QMMLZNLJSA-N 458.584 2.248 30 10 JEEE C#CCN(c1nnc(C2CCC2)n1CCNc1nccc(C(F)(F)F)n1)[C@@H]1CCS(=O)(=O)C1 1358962447 PWBGBAHVLLCEGI-OAHLLOKOSA-N 483.520 2.093 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCc1cccc(F)c1F)[C@@H]1CCS(=O)(=O)C1 1358965977 FUUVIFFZWAGTCC-LJQANCHMSA-N 488.564 2.287 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC1([S@](C)=O)CCC1 1358976754 PCGRDPSRABGJKZ-UMSFTDKQSA-N 476.606 2.439 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN(C(C)=O)C1 1359016796 MIADBZOKXSFIHP-LEWJYISDSA-N 487.601 2.218 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1359090223 XHGAEHQGZOZFKD-BBWFWOEESA-N 484.523 2.000 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOCC)[C@H](CC)C1 1359100032 WBJIMVOEFFYTRH-YSFYHYPLSA-N 495.690 2.099 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2cn3ccccc3n2)nnc1N(CC)CCS(C)(=O)=O 1359100647 DUFVCGGDJJKRSP-PGRDOPGGSA-N 472.615 2.369 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nccs1 1359263657 ILCVEQWAJLAKAY-MRXNPFEDSA-N 480.641 2.370 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)Cc1ccc(Br)o1 1359295655 JONQNHQPWWZVDM-UHFFFAOYSA-N 498.345 2.215 30 10 JEEE C=CCOc1ccccc1Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1359310993 NRSPALCAMZNCII-NHCUHLMSSA-N 480.569 2.113 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1359332961 LBOOGBNLRDTWEE-UHFFFAOYSA-N 472.677 2.405 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCN(C2CC2)C1 1507522882 YNNMWSOODBTOES-MSOLQXFVSA-N 456.616 2.138 30 10 JEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1Cc1conc1COC)[C@@H]1CCS(=O)(=O)C1 1507625158 HJXURHLSLQQGFF-GOSISDBHSA-N 475.958 2.408 30 10 JEEE C#CCN(c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCCCOC)[C@H]1CCS(=O)(=O)C1 1507626566 OFDMIERBKPWTCS-IBGZPJMESA-N 468.583 2.389 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1cccc(OCC(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 1507632486 MAJKUMCXHZGFQN-ROUUACIJSA-N 498.527 2.398 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1507659914 ILUOIQHRVXQPJU-JTSKRJEESA-N 476.986 2.084 30 10 JEEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1507684947 KCRAERQTZGZBBY-MRXNPFEDSA-N 451.535 2.294 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC[C@@H]1CCO[C@@H](C)C1 1507710512 PLCZLVVVCNMDBP-RBUKOAKNSA-N 464.570 2.483 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)ccc3Br)n2CC[C@H]2COCCO2)CC1 1507717446 DBHGIGSZLJUNDI-SFHVURJKSA-N 490.402 2.277 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(C)(C)CN(C)C)CC1 1507734450 NIBZCQKPYYWKEM-UHFFFAOYSA-N 467.574 2.407 30 10 JEEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1507941657 IDFBBEADGAPELH-OAQYLSRUSA-N 486.642 2.058 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@]1(O)CCOC1 1508041277 LBMXLCKMVQQTER-MBSDFSHPSA-N 465.595 2.183 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1508079085 NQFAIQDIFIFLIY-KBPBESRZSA-N 484.420 2.268 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](c2ccc(CC)cc2)C1 1508132516 ZBWPOUFSTUGPDT-FQEVSTJZSA-N 475.615 2.157 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1 1508137726 QGPPCLMGBNLZBP-QFIPXVFZSA-N 459.547 2.121 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)ccc2C)nnc1N1CCCN(C(C)=O)CC1 1508144603 VMYXFWJUJUOVSQ-UHFFFAOYSA-N 475.615 2.133 30 10 JEEE CC(C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1508812285 BMFVBBCGFGRXPC-NRFANRHFSA-N 473.585 2.484 30 10 JEEE Cc1cnn([C@@H]2CCCN(c3nnc(COc4ccc(C#N)cc4)n3CCS(C)(=O)=O)C2)c1 1511405308 GSXNOUMVUBVFBI-LJQANCHMSA-N 469.571 2.120 30 10 JEEE COC(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N2CCCCC2)C1 1517678908 AUFAOBJKRXSPBA-IBGZPJMESA-N 466.542 2.131 30 10 JEEE C#CCCCn1c(CCOc2ccccc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1539132446 KYIOKOOCAOWZFK-QFIPXVFZSA-N 450.587 2.056 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ccc(Cl)cc1F)[C@@H]1CCS(=O)(=O)C1 1539215845 JZLBGACDEXTBOD-MRXNPFEDSA-N 460.922 2.203 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@@H](OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1539218790 DEMHFYULRXAAQW-OXJNMPFZSA-N 464.538 2.199 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1CC1(N(C)C)CCC1)[C@H]1CCS(=O)(=O)C1 1539221108 YLYFCXHMIZPXRR-IBGZPJMESA-N 459.591 2.119 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H](C)Oc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1539224185 CYOCSBLYFWDXMB-NQIIRXRSSA-N 483.569 2.497 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1CC1(COC)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1539229204 ACMXLXLZTRNECJ-JOCHJYFZSA-N 486.638 2.133 30 10 JEEE C#CCN(c1nnc(COc2ccccc2CC)n1CCc1nccnc1C)[C@@H]1CCS(=O)(=O)C1 1539229417 CKAILVRFMINNIL-OAQYLSRUSA-N 494.621 2.387 30 10 JEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1CN(C(=O)OC(C)(C)C)C1 1539265199 DFJOHTCXVNQFAZ-UHFFFAOYSA-N 490.612 2.392 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)cc1O[C@@H]1CCOC1 1539370278 TWIHQMUCGIOLEK-WOJBJXKFSA-N 458.584 2.164 30 10 JEEE C#CCN(CCOC)c1nnc(CSc2ccc(Cl)cc2)n1C[C@]1(O)CCN(C)C1 1539423072 RJVOUORVDKZRRN-NRFANRHFSA-N 450.008 2.376 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2CCN(C)CCOC)CC1 1539436090 IUOJOYWKWKTNAQ-UHFFFAOYSA-N 491.434 2.050 30 10 JEEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1539721977 JOSAMMTVSMAFIP-FQEVSTJZSA-N 469.590 2.067 30 10 JEEE C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1539772571 IOPGBMVVXAYFAW-VQIMIIECSA-N 487.008 2.057 30 10 JEEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ncnn1C(C)(C)C 1540054194 MMUXHACWZXLFBJ-UHFFFAOYSA-N 458.592 2.212 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1540862528 CXOFIEYSVUGPBO-UXHICEINSA-N 486.592 2.408 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2Cc2nnn(C)n2)C1 1540887281 UDMUCIDQDIVDGJ-CQSZACIVSA-N 475.351 2.069 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](OC)C(C)(C)C1 1540907193 NWUHMSJNVLNAMY-LJQANCHMSA-N 459.572 2.191 30 10 JEEE CC(=O)N[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2([S@](C)=O)CCC2)C1 1541039179 AGSAATXIFMTCBH-ASPBEGMCSA-N 470.599 2.135 30 10 JEEE C#CCN1CCCN(C(=O)c2ccc(CNS(=O)(=O)c3ccc(C(C)=O)cc3)cc2)CC1 1544079178 PUUWPJRKAACJIU-UHFFFAOYSA-N 453.564 2.149 30 10 JEEE CS(=O)(=O)c1cccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CC2(S(C)(=O)=O)CCCC2)c1 1555792252 AQJQOONOZLYDPX-HXUWFJFHSA-N 495.602 2.148 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2CC(F)(F)C2)c1 1587692929 MNHNNWXBDOSXQW-QGZVFWFLSA-N 477.537 2.282 30 10 JEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1CCN(C(=O)OC)CC1 1588089675 NCFMFMJTHVMPAK-UHFFFAOYSA-N 497.625 2.098 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2nc(C(C)C)cs2)CC1 1594097822 ZHUAWAWQYWQLBQ-KRWDZBQOSA-N 466.633 2.396 30 10 JEEE COc1ccc(CC(=O)Nc2cc(C#N)c(F)cc2F)cc1S(=O)(=O)N1CCOCC1 1595652358 AZDQBEBAFNVQQP-UHFFFAOYSA-N 451.451 2.047 30 10 JEEE C[C@@H]([C@@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1ccc(N(C)C)nc1)S(C)(=O)=O 1596902223 FFENROBBZZPJBH-MSOLQXFVSA-N 497.625 2.496 30 10 JEEE CC(C)N(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1607955572 GUBRHTIQLIFDIK-QFIPXVFZSA-N 467.618 2.227 30 10 JEEE C#CCN(CC(=O)Nc1ccc(OCC)c(S(=O)(=O)N2CCCCC2)c1)C1CSC1 1643771031 CJIJLPYAVKEGJD-UHFFFAOYSA-N 451.614 2.249 30 10 JEEE CC(=O)c1cn(C2CN(C(=O)[C@@H]3c4ccc(C#N)cc4CCN3C(=O)OC(C)(C)C)C2)nn1 1648553084 VVSJPQOBQPLSLQ-FQEVSTJZSA-N 450.499 2.270 30 10 JEEE COc1ccc(C(=O)N2CCN(CC(=O)Nc3oc(C)c(C)c3C#N)CC2)c(OC)c1OC 1657499248 DQNWWZVSIVRLQS-UHFFFAOYSA-N 456.499 2.190 30 10 JEEE C#CCn1ccc(CN(CC)C(=O)Nc2ccc(N3CCOCC3)cc2N2CCOCC2)n1 1667186186 AKLMSVQVFJJQCU-UHFFFAOYSA-N 452.559 2.244 30 10 JEEE C#CCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1689913605 RJCRDGYBZXMTQA-FUHWJXTLSA-N 454.506 2.443 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1689983868 IFAVGSIPNAWRMW-ZBFHGGJFSA-N 453.971 2.314 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CCCOCC)[C@@H]1CCS(=O)(=O)C1 1689992337 JNYKHOGIPYSYOQ-MRXNPFEDSA-N 452.527 2.200 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CC(F)(F)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1689998413 LMPUNERHOIEZAR-IHPCNDPISA-N 494.564 2.421 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCCNC(=O)C(C)C)CC1 1690111879 LJVNXFRTTVQCLO-IBGZPJMESA-N 456.566 2.475 30 10 JEEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCc2csc(C(C)(C)C)n2)CC1 1690130648 KFOFUKPGKWXVAU-UHFFFAOYSA-N 455.632 2.152 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCc2ccc(F)cc2Cl)CC1 1690134816 HAKQJQCFLHTSSB-UHFFFAOYSA-N 474.968 2.417 30 10 JEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 1690154539 QPLPTXVDAZOSCY-QGZVFWFLSA-N 475.640 2.481 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1CCOc1ccc(S(C)(=O)=O)cc1 1690196114 YSUDBQCVNMQBGG-DNQXCXABSA-N 488.610 2.405 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@]1(O)CCN(C)C1 1690262861 REFSPWQGGSITAT-DEOSSOPVSA-N 451.575 2.144 30 10 JEEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N(C)Cc1cccc(C(N)=O)c1 1690309903 NGTSGXJADZUIFN-UHFFFAOYSA-N 452.515 2.334 30 10 JEEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C)C2(CCC2)C1 1690313022 JSTWIJNGESBSTR-RBUKOAKNSA-N 467.636 2.220 30 10 JEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccc1[N+](=O)[O-] 1690485294 OZBYFUGTJZFBNL-GOSISDBHSA-N 464.548 2.122 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCS(=O)(=O)C1 1690603753 GWNYNEGPFIRYGZ-FQEVSTJZSA-N 457.600 2.070 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1690667298 YIDFAIRYVANKHK-SFHVURJKSA-N 486.020 2.034 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1 1690727143 VHDAMYOLPSZPPA-QHCPKHFHSA-N 471.558 2.102 30 10 JEEE CC(C)NS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1692571886 GOHFYIBFUWJEIT-YOEHRIQHSA-N 486.520 2.301 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2ccc(F)cc2F)CC1 1705494875 HPBHHPNFHACNQS-KXBFYZLASA-N 479.553 2.079 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2CCN2CCSCC2)c1 1705507312 XWUXUFNSLNRFPJ-UHFFFAOYSA-N 475.622 2.369 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H](OC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1705560175 FCNTZPCTGBEKPR-MOPGFXCFSA-N 461.544 2.151 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H]1CCCN(CC(C)C)C1)[C@H]1CCS(=O)(=O)C1 1705564817 QLJFYKVYPLPWHA-IRLDBZIGSA-N 470.643 2.335 30 10 JEEE C#CCN(c1nnc(-c2cn(C)c3ccccc23)n1CCSCCCO)[C@@H]1CCS(=O)(=O)C1 1705567185 VOJNMJLVRDCSLX-GOSISDBHSA-N 487.651 2.179 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccc(OC(C)(C)C)nc1)[C@H]1CCS(=O)(=O)C1 1705571738 GUZKJZZLEFUTMY-RBUKOAKNSA-N 473.599 2.377 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1705668943 XLMIPVNKCFXLNE-KNXBSLHKSA-N 462.547 2.099 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N(C)CC(=O)NC(C)C 1705705648 JXRVWWBJAWJHDJ-OXQOHEQNSA-N 460.604 2.212 30 10 JEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccc(C)cc2)CC1 1705735738 WSZLGKILUVHZQF-HXUWFJFHSA-N 452.559 2.093 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1705902904 MBHRSZXLYOAMOQ-GSTYJUAJSA-N 488.633 2.292 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CCC(N2CCCNC2=O)CC1 1705908528 RMEUODOZKKMORM-UHFFFAOYSA-N 481.601 2.106 30 10 JEEE C=CCOc1ccccc1Cn1c(C)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1705912385 IJJRAPPCMYDUKD-UHFFFAOYSA-N 474.612 2.475 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1705935337 OBPTYBQJEKTUNC-GOSISDBHSA-N 492.989 2.392 30 10 JEEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@](O)(c2ccc(C)cc2)C1 1705940193 YECMZTPUZJRWPL-LAUBAEHRSA-N 465.645 2.214 30 10 JEEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(N(C)C)CCSC2)CCO1 1712302750 ADBFPVVZGCCTLC-REWPJTCUSA-N 472.615 2.018 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1nc(C(F)(F)F)cs1 1722278051 PHOXNRMKRCRGSQ-MNOVXSKESA-N 450.512 2.064 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@H]2CCN(CCC)C2)c1 1722305987 NPAPFDFFWBRIQD-FQEVSTJZSA-N 465.602 2.204 30 10 JEEE C#CCCCn1c(COc2ccccc2OCC)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1722339321 SZZLXRUJNPSVMX-UHFFFAOYSA-N 466.542 2.190 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1SCCc2ccccc21 1722389262 GFNYOQBITVFIIE-FXAWDEMLSA-N 457.625 2.382 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CC[C@@H](F)C1 1722420146 GILRXXFDCMHLCA-PKOBYXMFSA-N 463.579 2.420 30 10 JEEE C#CCN(CCOC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H]1CCCN1C(=O)OC(C)(C)C 1722422404 QTMNMXYWTAVJOA-NTKDMRAZSA-N 477.606 2.416 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCCc2cnn(C)n2)CC1 1722431359 OJJOCPAGKOGBBC-SFHVURJKSA-N 452.538 2.074 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H](C)N2CCOCC2)CC1 1722444072 UFWKYDVAELEIGN-GOSISDBHSA-N 471.005 2.285 30 10 JEEE C#CCSCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1722454143 IVPHTEYBCLAKQX-QGZVFWFLSA-N 464.613 2.342 30 10 JEEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1722458365 ZWHFURKKQBLXOJ-XMSQKQJNSA-N 467.643 2.004 30 10 JEEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)[C@H]2CCCC[C@H]21 1722629548 LRKIMYDWNLIOQF-NMLBUPMWSA-N 467.636 2.219 30 10 JEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](OC)c1ccccc1)C1CC1 1722651666 XVSQSDKSYDQWAH-VQTJNVASSA-N 461.588 2.154 30 10 JEEE CCCOc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCN2CCOC[C@H]2C)cc1OC 1728216655 FDWVHSPYLXOGJG-UYAOXDASSA-N 470.574 2.192 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1Cc1nc(C(F)(F)F)cs1)[C@@H]1CCS(=O)(=O)C1 1740622531 ZETCXYYVBPBZGO-CYBMUJFWSA-N 484.529 2.434 30 10 JEEE C#CCN(c1nnc(COc2ccccc2OC)n1C[C@@H](C)SC)[C@H]1CCS(=O)(=O)C1 1740627566 IOZHDTBUYPNDNL-SJORKVTESA-N 464.613 2.244 30 10 JEEE C#CCN(CC#CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@H]1CCN(CC)C1 1740658110 GVZCQJFGAJREHF-VWLOTQADSA-N 473.669 2.448 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(CC(C)(C)C)n2C[C@@H]2CCCS(=O)(=O)C2)n1 1740689264 TXIJDEVKTGRRQJ-IBGZPJMESA-N 476.647 2.174 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3)n2CC[C@H]2COCCO2)CC1 1740697536 IJGFDLSBVJFBEH-IBGZPJMESA-N 460.376 2.268 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(F)ccc3Br)n2CCCN2CCOC2=O)CC1 1740698125 SUZHJUYTAAADER-UHFFFAOYSA-N 491.365 2.444 30 10 JEEE C=C(Cl)Cn1c(Cc2ccccn2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1740811854 FBMTZAWTHPXUEV-LAUBAEHRSA-N 458.010 2.395 30 10 JEEE C=CCOc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(CNC(C)=O)CC2)cc1 1740967908 UIQJLIZULAAFMV-NRFANRHFSA-N 487.626 2.146 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ccccn2)CC1 1740988207 WWNZLXABHLNFOJ-UHFFFAOYSA-N 463.567 2.139 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CC[C@H]1CCCCO1 1741942432 BQOMNQJHRMEBQJ-WMQCIHAUSA-N 488.614 2.297 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@H]1CCCOC1 1744086475 GGHUPELUAATFPZ-IBGZPJMESA-N 466.590 2.216 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1CC1(O)CCC1)[C@H]1CCS(=O)(=O)C1 1748823897 DYNHYEGJNJLDAH-IBGZPJMESA-N 458.584 2.016 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC(F)F)c(F)c1 1748963122 YSJATGGGWLFXPO-OAHLLOKOSA-N 472.489 2.055 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCS(=O)(=O)CC1 1749119080 NAVSYCAISAQPJW-IEBWSBKVSA-N 494.017 2.078 30 10 JEEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1749232495 MSQARGNIQGWEBE-UHFFFAOYSA-N 450.591 2.302 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1749366625 IEZGGCNPCJIYDF-MRXNPFEDSA-N 493.659 2.489 30 10 JEEE C=CCN(CCOC)c1nnc(-c2ccc(Br)cc2)n1CCN1CCCS1(=O)=O 1749592250 DSXRHOKECGRTSK-UHFFFAOYSA-N 484.420 2.382 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC2(CCN(C)C2=O)CC1 1749658264 MFXGIKVVHWDBHD-UHFFFAOYSA-N 460.941 2.489 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CCc1cnccn1 1749669294 GKWVZBLXKXYTMM-SFHVURJKSA-N 484.605 2.164 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccc3OC)n2CC(=O)NCC(F)(F)F)C1 1749714759 MBJDHVRIFZLYMW-MRXNPFEDSA-N 453.465 2.337 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2ccccc2F)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1760204360 NDFOHOPYYFPFBL-IRLDBZIGSA-N 469.586 2.285 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1nnc2n1CCCCC2 1760208380 RHCGLIDVRFSHPY-KDURUIRLSA-N 478.601 2.488 30 10 JEEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1CCS(=O)(=O)c1ccccc1 1760237654 PRBGEFXSPYQDCN-UHFFFAOYSA-N 457.581 2.203 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C1CCN(CCC)CC1 1760315793 JALDCOQHJKZTCC-BJLQDIEVSA-N 468.668 2.180 30 10 JEEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCS(=O)(=O)CC 1760346156 KLUVMEVQYHCILB-MRXNPFEDSA-N 457.597 2.034 30 10 JEEE C=CC1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCS(=O)(=O)CC)CC1 1760401791 CEKAWPPQNWCTHY-GOSISDBHSA-N 483.635 2.424 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2noc3c2COCC3)n1CC(=O)NCC(F)F 1760479472 QADKFKXDUCZAPB-UHFFFAOYSA-N 483.479 2.451 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1760518346 QZYYPEMWNAHJSH-MRXNPFEDSA-N 482.006 2.313 30 10 JEEE CC(=O)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCOC[C@@H]2CCOC2)CC1 1760600723 BDQHXQXFQLTCIJ-QFIPXVFZSA-N 482.585 2.231 30 10 JEEE CCO[C@@]1(c2nnc(N3CCN(c4ccccc4C#N)CC3)n2C[C@H](C)N(C)C)CCOC1 1765911862 DXMIRCBWBVQYCU-CYFREDJKSA-N 453.591 2.079 30 10 JEEE CCN1CCN(C[C@H](C)Cn2c(CC(C)C)nnc2N2CCN(c3cc(C#N)ccn3)CC2)CC1 1767146589 DPRCMVWUGGTYPH-QFIPXVFZSA-N 479.677 2.343 30 10 JEEE CCNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1767171298 BAJRNPQJLUOPAA-IBGZPJMESA-N 463.586 2.474 30 10 JEEE CNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCN(C(C)C)C2)CC1 1767837699 CMZFSMAJUMZIAV-NRFANRHFSA-N 480.617 2.311 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCOCC2(CC2)C1 1772660472 HBIOLYABHPNHED-UHFFFAOYSA-N 462.572 2.180 30 10 JEEE N#Cc1ccccc1S(=O)(=O)N[C@@H]1CCN(S(=O)(=O)c2ccc(Br)s2)C1 1858330775 QXFBBZRHLNHINT-GFCCVEGCSA-N 476.399 2.124 30 10 JEEE N#Cc1nnn(-c2cccc(C(F)(F)F)c2)c1NC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 1870155282 FNPMDZSLMLLEGX-UHFFFAOYSA-N 485.338 2.301 30 10 JEEE N#Cc1ccc(COc2cn(CCCN3CCCC3=O)c(CN3CCC(C(N)=O)CC3)cc2=O)cc1 1870347910 YUSTZIIBJUHUCJ-UHFFFAOYSA-N 491.592 2.009 30 10 JEEE CCOC(=O)c1sc(C2=C(N)N(CCNC(=O)OC(C)(C)C)CC2=O)nc1C(F)(F)F 1872725699 VXJIXVHKEMYBES-UHFFFAOYSA-N 464.466 2.375 30 10 JEEE CN(c1cc(C#N)ccn1)C1CCN(S(=O)(=O)c2cc3c4c(c2)CCN4C(=O)CC3)CC1 1890820692 QKOXBWMBRUAXRI-UHFFFAOYSA-N 451.552 2.078 30 10 JEEE N#CC1CN(S(=O)(=O)Nc2cc(I)cc(I)c2)C1 2046108722 OBQMKRFUBUPXLN-UHFFFAOYSA-N 489.076 2.008 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1O 2063352480 DIJOBNPFUFQMGN-BRWVUGGUSA-N 454.568 2.450 30 10 JEEE CC#CC[C@@H](NC(=O)c1cc(I)cc(I)c1O)C(=O)O 2145544962 UUWNSDARRNPEEV-SNVBAGLBSA-N 499.042 2.198 30 10 JEEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](C)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 2222513210 NQDOCXZIQZTXLI-QZMQVMSPSA-N 453.580 2.417 30 10 JEEE C=C(CS(=O)(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1SC)B1OC(C)(C)C(C)(C)O1 2247961808 ILXVCZQRLOUNNO-CABCVRRESA-N 462.443 2.444 30 10 JEEE CO[C@H]1CN(C(=O)c2ccsc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1NC(=O)OC(C)(C)C 2255646112 MBWZHDNRJJBWDU-GJZGRUSLSA-N 452.382 2.411 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@@H](NC(=O)c2csc(B3OC(C)(C)C(C)(C)O3)c2)C1 2255704548 JJFSWIOMQLNJCH-HNNXBMFYSA-N 452.382 2.413 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@H]1NS(=O)(=O)Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2255794225 IZPLLKLUGFCQKA-DLBZAZTESA-N 452.382 2.071 30 10 JEEE Cc1sc(C(=O)N[C@@]2(CO)CCN(C(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2267110474 DVJJWEWFPNAEKP-QFIPXVFZSA-N 466.409 2.457 30 10 JEEE C[C@@H]1CC[C@@H](NC(=O)C(F)(F)F)CN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2267367879 AFBCDEGZUNXMMY-VXGBXAGGSA-N 482.355 2.267 30 10 JEEE CCN(C[C@H](C)NC(=O)OC(C)(C)C)C(=O)c1c(C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2267516364 CPSQUWXZJXZCBJ-AWEZNQCLSA-N 450.389 2.403 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)Nc1nc(B2OC(C)(C)C(C)(C)O2)ccc1Cl 2268642262 DNWRWCBGMDGCBK-OCCSQVGLSA-N 467.759 2.343 30 10 JEEE CC(C)(C)OC(=O)N1CCN(c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)[C@H](C(=O)O)C1 2269007822 PBEUJPHJEPXLTE-HNNXBMFYSA-N 451.304 2.030 30 10 JEEE CC(C)(C)OC(=O)N1CC(CO)(CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)c(F)c2)C1 2281777954 MUQMVJGRLYQSCT-UHFFFAOYSA-N 464.343 2.084 30 10 JEEE CCCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N(C)C[C@H](O)CNC(=O)OC(C)(C)C 2281832040 IESDJCXIKWELRY-QGZVFWFLSA-N 465.400 2.155 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC(CCCNC(=O)OC(C)(C)C)C1 2282002843 UMCPOYJZBAUHGX-UHFFFAOYSA-N 462.400 2.405 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H](NC(=O)OC(C)(C)C)CC23CCC3)n1 2282034613 KRKDEJMHSKOSAZ-HNNXBMFYSA-N 460.384 2.381 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1CCN(C(=O)OC(C)(C)C)C1(C)C 2282037713 YYTDIOSSUNELRR-HNNXBMFYSA-N 462.400 2.485 30 10 JEEE CCc1nc(C(=O)NCCN(C[C@@H](C)O)C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2282131553 VLZHFZQARPWSBT-CQSZACIVSA-N 483.440 2.352 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@H](CCNS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282329957 TXGMNKPZYCGKQI-JCNLHEQBSA-N 481.424 2.353 30 10 JEEE Cc1c(C(=O)N2CC3(CCN(C(=O)OC(C)(C)C)C3)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282542061 GSALFEIJMNAAJZ-UHFFFAOYSA-N 460.384 2.111 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@@H](NC(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2282583839 PFLJPUOZQGHHGE-BHYGNILZSA-N 460.384 2.474 30 10 JEEE Cn1nc(C(=O)N[C@@H]2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)cc1B1OC(C)(C)C(C)(C)O1 2282619165 QLZJAQDVIJBTEU-MUJYYYPQSA-N 460.384 2.095 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CCO[C@H](CCNC(=O)OC(C)(C)C)C1 2282688593 WQBWUQCSJMPGJO-QGZVFWFLSA-N 463.384 2.080 30 10 JEEE CC(C)(C)OC(=O)NCC1CC2(CCN2C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2283063351 QSCAPSJDBKFHME-UHFFFAOYSA-N 458.368 2.295 30 10 JEEE COC[C@H](ONC(=O)OC(C)(C)C)C(=O)N(C)Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2283964171 MANMVDPSFSRXND-SFHVURJKSA-N 464.368 2.416 30 10 JEEE CC(C)(C)OC(=O)N1Cc2[nH]cnc2C[C@@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2283980427 ZYRZFBWXYKIHEL-CQSZACIVSA-N 475.380 2.466 30 10 JEEE CC(C)(C)OC(=O)N[C@]1(C(=O)N2CCc3ccc(B4OC(C)(C)C(C)(C)O4)cc32)C[C@H](O)C1 2284051150 KDOIZWZVWDTGBE-SMQSCJQKSA-N 458.364 2.293 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(C)C(C)(C)CNC(=O)OC(C)(C)C)n1C 2337330030 KQUGVVLQURDNSA-UHFFFAOYSA-N 450.389 2.403 30 10 JEEE COC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2337395580 BEJRMZKTQWZUOH-CQSZACIVSA-N 467.397 2.150 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1 2362356729 SXNFDLLJPYRYNI-WOJBJXKFSA-N 450.392 2.313 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C[C@]12CCOC2 2362505348 NAATZFQPNKNRBN-PEBXRYMYSA-N 479.408 2.341 30 10 JEEE COC[C@@]1(C)C[C@H](NC(=O)OC(C)(C)C)CN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2364215856 XKHJYUSGOONWEB-QMHKHESXSA-N 463.384 2.458 30 10 JEEE C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)OCC(=O)NCc1ccc(OC)cc1 18760149 CYBAICQGIZDQOM-VWLOTQADSA-N 463.490 2.020 30 10 JEEE COc1ccc(OC[C@@H](O)Cn2c(NN=C(C)c3ccccc3)nc3c2c(O)nc(=O)n3C)cc1 254413596 VOTSBGBCVSYZRX-KRWDZBQOSA-N 478.509 2.120 30 10 JEEE C=CCc1cc([N+](=O)[O-])ccc1OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 513630022 YNJRENTVJCDCEV-UHFFFAOYSA-N 470.507 2.107 30 10 JEEE C#C[C@]1(O)CCCN(C(=O)c2cc(I)cc(I)c2O)C1 708172827 QQSBLJLEPNSYDK-AWEZNQCLSA-N 497.070 2.202 30 10 JEEE COc1cc(C=NNc2nnc(SCC(=O)Nc3c(F)cccc3F)n2N)cc(OC)c1OC 1084197665 SENBPVLQNXRGSP-UHFFFAOYSA-N 493.496 2.473 30 10 JEEE C=CCn1cc(C=NNc2nnc(SCC(=O)Nc3cccc(Br)c3)n2N)cn1 1084343817 NCGGNYIMIHZVSQ-UHFFFAOYSA-N 476.364 2.314 30 10 JEEE Fc1ccc(-c2ccc(C=NNc3nc(N4CCOCC4)nc(N4CCOCC4)n3)o2)cc1 1084606686 RMKPWXZUWPFEJQ-UHFFFAOYSA-N 453.478 2.390 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1cccc(S(=O)(=O)NCCNC(=O)OC(C)(C)C)c1 1142817035 AEEXVEHNAHSDEB-ROUUACIJSA-N 453.561 2.409 30 10 JEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(CN2C(=O)CNC2=O)cc1 1152221955 UYNJRYBHCHTTSW-MRXNPFEDSA-N 450.923 2.391 30 10 JEEE COc1ccc(S(=O)(=O)NCC(=O)Nc2ccc(Br)c(C#N)c2)cc1OC 1157058582 ACMFEBNHUZKELJ-UHFFFAOYSA-N 454.302 2.255 30 10 JEEE C#CCN(C(=O)COc1ccc(N(C)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1)C1CC1 1158448273 SZWCVDVKALWIKU-UHFFFAOYSA-N 455.536 2.473 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1coc(-c2ccc(C)cc2)n1 1286298000 ZNOYQVSNNQRNRV-RXVVDRJESA-N 498.609 2.275 30 10 JEEE C#CCN(c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H](CCC)OC)[C@@H]1CCS(=O)(=O)C1 1286394072 NARQPBSITKKEIC-LQWHRVPQSA-N 474.583 2.232 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC1(COC)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1286396827 WPOQMQGXAJALKA-WOJBJXKFSA-N 464.632 2.396 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C 1286446412 FTTGPSBAPCNJKU-DLBZAZTESA-N 453.609 2.143 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCCCC1=O 1286458084 JPTJEHWSHYSBNK-FQEVSTJZSA-N 487.601 2.362 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc4cccnc34)n2CCCCCS(C)(=O)=O)CC1 1286476067 NBPIBJWXVQDSIW-UHFFFAOYSA-N 466.611 2.463 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1CN1CC[C@H](O)C1 1286582319 WMKCTGRRWFFOMD-YADHBBJMSA-N 473.643 2.198 30 10 JEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc(F)c2F)CC1 1286711893 QOSFBESBFKWDIH-QGZVFWFLSA-N 481.569 2.378 30 10 JEEE C=CCN(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccccc1S(=O)(=O)N(C)C 1286729662 WZAHEZHXFZHBNH-UHFFFAOYSA-N 474.612 2.190 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC(C(=O)NCc2ccc(F)cc2)CC1 1286785672 PGCWGZCSXQJEQG-UHFFFAOYSA-N 477.544 2.314 30 10 JEEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)Cc1ccc(C#N)cc1 1286788550 YNXMYLVIFYZNCJ-UHFFFAOYSA-N 471.569 2.262 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCCCCC1 1286817992 AIFWGBBXMUTESQ-UHFFFAOYSA-N 466.633 2.219 30 10 JEEE CCNC(=O)C1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(CC(C)C)C(=O)C2)CCC1 1296258742 BGQKLWLGGPCJPO-UHFFFAOYSA-N 463.586 2.428 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2CC2CCN(C(=O)OC)CC2)c1 1300336341 DFOFSZFCOAZBMB-UHFFFAOYSA-N 468.558 2.349 30 10 JEEE C#CCN(c1nnc(-c2cc3c(s2)CCCCC3)n1CCC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1300481330 ACDNWPADWFPHHL-SFHVURJKSA-N 489.667 2.381 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1C[C@H](C)N1CCN(c2ccccc2)CC1 1300574788 KMXMHVHLISJIRO-QFIPXVFZSA-N 456.598 2.352 30 10 JEEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(CC)Cc1cnn(C)c1 1300743394 ONCGXWZVAQSFRM-UHFFFAOYSA-N 458.613 2.475 30 10 JEEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1300766457 CZXKYEOGLKIJOQ-UHFFFAOYSA-N 464.599 2.064 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCC(=O)NC1CC1 1300789388 KIZUSNYRJGXKOO-XMMPIXPASA-N 484.626 2.246 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1300935288 PLOMCLKSICMETR-HTAPYJJXSA-N 461.588 2.156 30 10 JEEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1301137182 MKPYEIUEKBAHNZ-UHFFFAOYSA-N 489.584 2.348 30 10 JEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 1301197257 QVPYJGIDFSPTLZ-HRCADAONSA-N 456.613 2.204 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CC[C@@](O)(c2ccccc2F)C1 1301585062 HCLDNEAZFFXKHR-QHCPKHFHSA-N 471.558 2.486 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2CCCC[C@@H]2C1 1301593013 HOPHZMGLHQGDRL-HXUWFJFHSA-N 470.599 2.004 30 10 JEEE CC(C)(C)S(=O)(=O)N1CCC(NC(=O)N2CCN(c3cccc(F)c3C#N)CC2)CC1 1312488233 BVUJUFCIBMETPW-UHFFFAOYSA-N 451.568 2.122 30 10 JEEE CNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1314933516 CXTBWFHOKKLQKR-BXKMTCNYSA-N 452.559 2.363 30 10 JEEE C#CCN(c1nnc([C@H](C)OCCOC)n1Cc1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 1358956769 KMTDSPFCDYBNIS-LPHOPBHVSA-N 466.991 2.331 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@](C)(O)C(C)C)[C@H]1CCS(=O)(=O)C1 1358963006 AGSLUQVACJLQGC-AOMKIAJQSA-N 466.554 2.181 30 10 JEEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@]1(N(C)C)CCSC1 1359006899 NAYURFCDZCRBFO-NRFANRHFSA-N 461.661 2.135 30 10 JEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1Cc1cccc(Br)n1 1359023552 NQRDWQTVPZIYMY-UHFFFAOYSA-N 473.331 2.298 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1cnn(C)c1C 1359027857 YGCKUNTXDIGKDE-IZAXUBKRSA-N 457.579 2.225 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCc2ccc(F)cc2)CC1 1359041884 LJQAWGZMIADQKB-VWLOTQADSA-N 469.561 2.278 30 10 JEEE C=CC[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)N(C)C)CC1)c1ccccc1 1359192586 JKEMMIVVNVCULZ-JOCHJYFZSA-N 479.629 2.084 30 10 JEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 1359228326 ZQMWZTXBEVHUDP-SFHVURJKSA-N 493.605 2.247 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c(-c2cnccn2)nnc1N1CCN(C(C)=O)C[C@H]1C)C(C)C 1359265656 JYKMYBBMYJFKCF-DENIHFKCSA-N 452.607 2.491 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1359297320 MPWKOPFZUXZFJK-HUUCEWRRSA-N 462.304 2.124 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Br)cc3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1359314772 HPHLIBBSFNHITA-IRXDYDNUSA-N 489.374 2.477 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC2(O)CCN(C(C)C)CC2)C1 1359325001 WGCCFONOGSJJER-LJQANCHMSA-N 488.658 2.286 30 10 JEEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)c1ccco1 1359343582 WLKRABCUXKAINU-DOTOQJQBSA-N 455.606 2.321 30 10 JEEE CC(C)Cc1nnc(NC(=O)CCC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)s1 1466735978 GEKDZWZQIZTCJZ-KBPBESRZSA-N 450.565 2.331 30 10 JEEE C#CCCCCn1c(CSc2ccccc2OC)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1507573821 JLCLTUXIVDBSSO-UHFFFAOYSA-N 496.637 2.310 30 10 JEEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CC[C@@H](F)C1)[C@@H]1CCS(=O)(=O)C1 1507626462 OCQJXEDAXVLXOJ-BHIYHBOVSA-N 494.614 2.114 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H](C)N(C)C1CC1)[C@H]1CCS(=O)(=O)C1 1507628063 MWSRRQSGOZMGRD-PXNSSMCTSA-N 487.626 2.072 30 10 JEEE C#CCN(CC)c1nnc(-c2ccc(OC)c(Br)c2)n1CC1(O)CCS(=O)(=O)CC1 1507685257 OFRXMMNADDBWQV-UHFFFAOYSA-N 497.415 2.115 30 10 JEEE C#CCN(CC)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@]1(O)CCS(=O)(=O)C1 1507698701 PNDCQYVILKROIN-LJQANCHMSA-N 473.382 2.173 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccn2C)n1Cc1cc(F)ccc1N1CCOCC1 1507709161 SNIJJWNDRDHZMV-UHFFFAOYSA-N 452.534 2.394 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(OC)cc2C(F)(F)F)CC1 1507723240 AIAIYMPWPDBZKU-SFHVURJKSA-N 462.476 2.060 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C)Sc2ccccc2)CC1 1507732878 YPXJVOOMDYGSRD-RBUKOAKNSA-N 459.641 2.116 30 10 JEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cc(F)ccc2N2CCOCC2)CC1 1507895941 FOLALHHNQOITGD-QGZVFWFLSA-N 492.621 2.315 30 10 JEEE C=CCC(C)(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(CC(=O)NCC)CC1 1507915798 FCDHIRQFJPEUIO-UHFFFAOYSA-N 495.676 2.313 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H](NC(=O)CCC)C1 1508073057 LXIWWCDRMCZUGB-HNNXBMFYSA-N 478.395 2.223 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1508132090 USDFJMLCPVVGLN-CQSZACIVSA-N 465.542 2.287 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCOc1ccc(S(C)(=O)=O)cc1 1538977056 SHPHHXMSNYFDLH-MBSDFSHPSA-N 476.599 2.259 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(=O)Nc1ccc(F)cc1 1539002760 XHYZGRHHYBGJIV-HNNXBMFYSA-N 469.546 2.474 30 10 JEEE C#CCCCCn1c(COc2ccccc2F)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1539081651 FARMYFYFIFIAMM-UHFFFAOYSA-N 482.560 2.071 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCCNc1ccccn1)[C@H]1CCS(=O)(=O)C1 1539206683 URPVOZHKVJVCIV-FQEVSTJZSA-N 480.594 2.478 30 10 JEEE C#CCN(c1nnc(C2CC2)n1C[C@H](c1cccc(OC)c1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1539216199 OYORQSDCVKUDEJ-TZIWHRDSSA-N 457.600 2.094 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(Br)s2)n1CCNC(=O)C1CC1 1539399291 JRCHMORGSWPCLM-UHFFFAOYSA-N 452.378 2.381 30 10 JEEE C#CCN1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2C[C@@H](OC)[C@H](C)CC)CC1 1539430755 NEOBHPGDIGRGBX-UYAOXDASSA-N 487.674 2.363 30 10 JEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@H](c2ccsc2)C1 1539496515 GYEKPTXDUHQLOP-ZOBUZTSGSA-N 469.658 2.283 30 10 JEEE C=CCn1c(-c2cc(OC)ccc2Br)nnc1N1CCN(CC(=O)N(C)C)CC1 1540855082 XOKVJOCCDDDPDL-UHFFFAOYSA-N 463.380 2.112 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)Cc1ccccn1 1540869231 GCQBEQDHLFTSGC-UHFFFAOYSA-N 458.526 2.009 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1CCN(CCN(C)C)CC1 1541803377 HFJBDRCTTTVKGV-NRFANRHFSA-N 494.692 2.464 30 10 JEEE C=CC[C@H](C)NC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 1543657374 YNDRQFYUPOTRJO-HZMBPMFUSA-N 455.886 2.352 30 10 JEEE C=CCNC(=O)c1ccc(NC(=O)CNS(=O)(=O)c2ccc(Br)cc2)cc1 1544878506 VHWMXTIIFURUPO-UHFFFAOYSA-N 452.330 2.282 30 10 JEEE CN(CCn1c(-c2cnn(C)c2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1)CC(F)(F)F 1554291117 HYKZVYFISZUIGZ-UHFFFAOYSA-N 487.534 2.367 30 10 JEEE CNC(=O)[C@@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCC[C@H]2C)C1 1554404934 ALGPWLJEPGTNQS-KOSHJBKYSA-N 451.575 2.175 30 10 JEEE COc1ccccc1Cc1nnc(N2CCO[C@H](C#N)C2)n1CCN(C)C(=O)OC(C)(C)C 1555077893 GMSKYMKCGRUWPO-GOSISDBHSA-N 456.547 2.473 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CN(CC(C)C)CCO1 1587569311 WPDSXYJGCADCFQ-ICSRJNTNSA-N 487.674 2.361 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1587579523 HRBHMKXAMQYDKP-GDBMZVCRSA-N 453.515 2.428 30 10 JEEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CCc1nnc2n1CCCCC2 1587668235 VVEXIQXTMFSLRS-INIZCTEOSA-N 452.588 2.288 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1Cc1cnn(CC(C)C)c1C)[C@@H]1CCS(=O)(=O)C1 1588045647 NTLHNTZMHZUCPC-HXUWFJFHSA-N 469.615 2.120 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1CC(=O)NCCc1ccccc1 1588094337 ZVXWJXIKUHYPET-UHFFFAOYSA-N 465.355 2.467 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2Cc2ccnc(OC(F)F)c2)CC1 1588954633 JNIIQCMENPSABG-UHFFFAOYSA-N 481.507 2.274 30 10 JEEE C#CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](COC)C1 1589070664 VXHPKQRHSOVMIP-MSOLQXFVSA-N 465.620 2.426 30 10 JEEE C=C(Br)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(NC(=O)COC)CC1 1589357706 FNJUGEYCQQMABK-UHFFFAOYSA-N 459.348 2.457 30 10 JEEE C=CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1594608702 VGLDWKDXZHNWDN-GOSISDBHSA-N 499.641 2.314 30 10 JEEE C=CCCOCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(CC(C)C)C(=O)C1 1594807160 GKJSZTJLKPVHAX-UHFFFAOYSA-N 465.558 2.491 30 10 JEEE C=CCn1c(N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)nnc1[C@]1(OC(C)C)CCOC1 1595461395 SRRKSEQNWAHAFM-VGSWGCGISA-N 451.568 2.235 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CC[C@@H]3[C@@H](CC(=O)N3C)C2)cc1 1595607600 IFBWFGMNTQKQGZ-AZUAARDMSA-N 452.559 2.086 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CC(C)(C)C(=O)NC)C1 1595714530 OKGAUVJWDXZRPS-HNNXBMFYSA-N 451.531 2.147 30 10 JEEE C=CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCS(=O)CC1 1595884340 KROAEBVECDUFCF-MRXNPFEDSA-N 471.649 2.074 30 10 JEEE CCCC(=O)NC[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)CC)C1 1614317739 BBLXKDXJIKLKPJ-LJQANCHMSA-N 472.615 2.384 30 10 JEEE C#CCN1CCCN(C(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Br)CC1 1628350808 NTJARYNIQZMUQZ-UHFFFAOYSA-N 454.390 2.015 30 10 JEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@](C)(CO)c1cccc(C(F)(F)F)c1 1641775322 HJHSJWFRYJABNS-YJYMSZOUSA-N 455.458 2.268 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C)CN2CCCCC2)c1 1689870552 RMUPSMKHTDQFOP-KNQAVFIVSA-N 477.613 2.407 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CC(O)(CCC)CCC)[C@@H]1CCS(=O)(=O)C1 1689990177 MKDYAAUZZJHIJF-RBUKOAKNSA-N 452.621 2.130 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1Cc1conc1COC)[C@H]1CCS(=O)(=O)C1 1689996839 PSDMWZMKIQHVEY-FQEVSTJZSA-N 499.593 2.283 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1689998605 QPZOXTDJBPCMFG-QHCPKHFHSA-N 489.624 2.163 30 10 JEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCNC(=O)c1cccc(C)c1 1690013412 NRPBTOWKYFANMR-UHFFFAOYSA-N 489.605 2.049 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)CC1 1690139361 JTFFOOQSRWTJRP-FQEVSTJZSA-N 492.555 2.296 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCS(=O)(=O)CC1 1690238835 OEXTUIYYCVHGDA-UZLBHIALSA-N 462.572 2.178 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2cccc(C)c2)nnc1N1CCN(C(=O)COC)CC1 1690252400 DBKQNVQOGXYMRB-YKSBVNFPSA-N 469.586 2.442 30 10 JEEE C=CCCCn1c(Cc2ccccc2OC)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1690486595 NLKYIWRMQSXXRL-SFHVURJKSA-N 450.547 2.376 30 10 JEEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 1690732100 WCBXDRKPVVXSIV-INIZCTEOSA-N 478.644 2.278 30 10 JEEE Cc1nc(N2CCOCC2)sc1-c1nnc(N(C)C[C@@H](C)C#N)n1CCCC(=O)NC1CC1 1692911769 DVAQMMDLOZFEFM-HNNXBMFYSA-N 472.619 2.201 30 10 JEEE CCCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@](C)(C#N)C1 1695435696 GRGMNWRZEHEOCY-JOCHJYFZSA-N 472.619 2.203 30 10 JEEE CCn1nc(-c2nnc(N(C)C[C@H](C)C#N)n2CCS(=O)(=O)C(C)(C)C)c2ccccc2c1=O 1695899362 CEBVSVHVSCPRNZ-MRXNPFEDSA-N 485.614 2.484 30 10 JEEE COC(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C2CC2)N(C)C)C1 1697039208 DWLMPVIBGBARHD-PZJWPPBQSA-N 452.559 2.458 30 10 JEEE COc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2Cc2cnnn2C)cc1Br 1697361102 DJCJSBKAQBYODC-SFHVURJKSA-N 461.299 2.335 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1CCN1CCN(C(C)=O)CC1 1705502772 INAZSXRKDDXOSW-QGZVFWFLSA-N 489.418 2.242 30 10 JEEE C#CCCCCn1c(N2CCN3C(=O)N(C)C[C@@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705521796 LUNCEGWVBLLDCW-CEXWTWQISA-N 471.606 2.408 30 10 JEEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1ccnc(OC(F)F)c1)[C@@H]1CCS(=O)(=O)C1 1705560903 OGIRRBBWFCFFGY-GOEBONIOSA-N 453.515 2.463 30 10 JEEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1Cc1cnn(CC)c1)[C@@H]1CCS(=O)(=O)C1 1705568810 VNYQWSFXKPCDQG-LJQANCHMSA-N 489.001 2.402 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1705572331 XZNJAVVMLVVRBG-FKBYEOEOSA-N 472.611 2.180 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Oc1ccccc1C 1705674697 OKVVNZYCWIHHAR-NHCICSSKSA-N 487.626 2.379 30 10 JEEE C=CCOc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CCN(C(C)=O)C[C@H]2C)cc1 1705911023 WELNZHAOKSLHPO-GOSISDBHSA-N 452.559 2.071 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCC=C(Br)C2)nnc1[C@]1(OCC)CCOC1 1705938511 ARCRYGOHOPMASZ-SFHVURJKSA-N 475.409 2.020 30 10 JEEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@H](OCCOCC)C1 1722330813 XLLVYKNCEDSDBO-SFHVURJKSA-N 450.543 2.237 30 10 JEEE C#CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(C(=O)C(C)C)CC1 1722459367 IWRMRVVSTSYEMI-UHFFFAOYSA-N 482.658 2.123 30 10 JEEE C=CCCOCCn1c([C@H]2CCCOC2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1722628489 XKATWABHCRVODD-KRWDZBQOSA-N 461.592 2.471 30 10 JEEE CC[C@@H](C)[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C#N)cn2)CC1)OC 1726839744 HVYCIISJIBQEFF-IEBWSBKVSA-N 454.579 2.071 30 10 JEEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H](C)CNC(=O)OC(C)(C)C 1740607394 OSODZGZYNCRCRL-INIZCTEOSA-N 465.558 2.422 30 10 JEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CCCN1CCOC1=O)[C@H]1CCS(=O)(=O)C1 1740621010 ZHYICTXLFWKLOV-SFHVURJKSA-N 477.974 2.068 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2CCN2CCOC(C)(C)C2)CC1 1740707128 PZPUHXNDDIKGGW-UHFFFAOYSA-N 482.604 2.085 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCOCCS(C)(=O)=O 1740723859 VBVLVKGZPPZAKK-HSZRJFAPSA-N 473.599 2.201 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)N1CCC[C@H](C)C1 1740731421 BCLJLLSPRNAJCT-MZLICYQSSA-N 492.690 2.114 30 10 JEEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(C)=O)CC1 1740821059 BUPUUXHYWXWAFJ-INIZCTEOSA-N 454.959 2.008 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]1c1ccsc1 1740992164 MMQKJGLGJHPVKS-SJORKVTESA-N 470.642 2.184 30 10 JEEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(SCC)c1)[C@H]1CCS(=O)(=O)C1 1748815567 RIJNVPKLMGPTTR-HKUYNNGSSA-N 473.624 2.016 30 10 JEEE C#CCN(CC#CC)c1nnc(COc2ccccc2F)n1Cc1ccc(-n2cncn2)nc1 1748902986 OSDMWHRWVGYCBK-UHFFFAOYSA-N 456.485 2.483 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(C)c(Br)c2)n1CC1(C(N)=O)CCOCC1 1748953028 CVRQRLQHIPNBFQ-UHFFFAOYSA-N 490.402 2.384 30 10 JEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@](O)(c2ccccc2)C(F)(F)F)CC1 1748994450 IBCVPKGRGKKDBC-HSZRJFAPSA-N 487.530 2.345 30 10 JEEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1749114992 KGNGQZCLWZDQSA-OAHLLOKOSA-N 462.414 2.336 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1749134490 ZMJNBZNBCVFIKU-KJWPAHLWSA-N 481.645 2.282 30 10 JEEE C=CC1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC(=O)NCC(F)(F)F)CC1 1749331039 CCTXAZIKCBRDMF-UHFFFAOYSA-N 471.505 2.430 30 10 JEEE C=CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1749450594 MVKZZHLVDTWKEP-ICSRJNTNSA-N 457.579 2.402 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCC(C(=O)NC)CC1 1749658709 VNGVYLODSLKMAO-UHFFFAOYSA-N 478.553 2.382 30 10 JEEE CC(=O)N1CCC[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@H](C)[C@@H](O)C2)C1 1749826771 LQONCFBPOYOUSP-ZNLUXHQJSA-N 452.559 2.194 30 10 JEEE C#CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@@H](NC(C)=O)C1 1760138092 QZERWUQYVCEOTI-OAQYLSRUSA-N 450.591 2.361 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1CCC1(OC)CCC1)[C@@H]1CCS(=O)(=O)C1 1760189444 IRFUILQMWQAMFT-HXUWFJFHSA-N 472.611 2.463 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1nnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1760192572 KFAAIUHDUZLYSI-ZHALLVOQSA-N 492.671 2.226 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCN(C)C(C)C 1760250479 ZXAIRZQOYWTHCK-LJQANCHMSA-N 464.611 2.013 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccc(N3CCCCC3)nc2)CC1 1760252809 WJHJPYMOYUSWTF-UHFFFAOYSA-N 478.645 2.385 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCc2cccc(F)c2F)CC1 1760268871 QORITIORIIZXFC-UHFFFAOYSA-N 453.497 2.165 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@H](C)N2CCOCC2)CC1 1760270807 ASMHCGIILFUACC-QFIPXVFZSA-N 494.640 2.160 30 10 JEEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)c2c(F)cccc2F)CC1 1760280064 MFRGZJJIDZDOBU-UHFFFAOYSA-N 469.521 2.342 30 10 JEEE C=C(C)COCCn1c(Cc2ccccc2C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1760357985 LVOXIDCHFGIDFF-FQEVSTJZSA-N 452.559 2.243 30 10 JEEE C=C1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CC[S@](=O)CC)CC1 1760383248 KVZWNRBDOKZIII-SSEXGKCCSA-N 450.634 2.472 30 10 JEEE C=CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1760431836 AMRYWGBOFWEQIX-KRWDZBQOSA-N 495.675 2.031 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CCN(C(=O)c2ccco2)CC1 1760527610 CBAFYRIWWVIBAC-UHFFFAOYSA-N 478.553 2.277 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCS(=O)CC1 1760557391 KEZJAFYFEIKNPW-UHFFFAOYSA-N 480.656 2.324 30 10 JEEE COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC2(S(C)(=O)=O)CCCC2)cc1OC 1768530216 BQYDEHINHBQZFA-QGZVFWFLSA-N 475.571 2.048 30 10 JEEE COCCN(C)CCn1c(-c2cnn(C)c2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1771079556 FPLSRYKTGUYJSE-UHFFFAOYSA-N 464.574 2.176 30 10 JEEE O=C(C1=C(O)C(=O)N(CCN2CCOCC2)[C@H]1c1cccc([N+](=O)[O-])c1)c1cccc(O)c1 1862593130 CYCLIDVIUZNBQO-FQEVSTJZSA-N 453.451 2.211 30 10 JEEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(N(C)C)cc1 1862757211 GQGQFUIDBSWJKQ-FQEVSTJZSA-N 452.467 2.375 30 10 JEEE C=CCNS(=O)(=O)c1ccc2nc(NC(=O)Cc3ccc(S(C)(=O)=O)cc3)sc2c1 1866209073 PCIYKYYFTNHTHS-UHFFFAOYSA-N 465.578 2.345 30 10 JEEE CC[C@](C)(NC(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1)C(=O)Nc1ccccc1C#N 1866593500 DPIHTYJQWRWCMK-DEOSSOPVSA-N 483.594 2.032 30 10 JEEE C=CCN(CC=C)C(=O)[C@@H](CSCc1ccccc1)NC(=O)C[C@@H]1CCS(=O)(=O)C1 1868591671 PMDKTAWXWDORCU-VQTJNVASSA-N 450.626 2.430 30 10 JEEE COc1cc(C(=O)NCC(=O)Nc2c(C#N)nnn2-c2ccc(C)c(C)c2)cc(OC)c1OC 1870140498 VEBJZMMSIIUOID-UHFFFAOYSA-N 464.482 2.150 30 10 JEEE C#CCOc1cn(CCc2ccc(S(N)(=O)=O)cc2)c(CNc2ccc3[nH]ncc3c2)cc1=O 1871008917 UUUTVYLYRIVTKV-UHFFFAOYSA-N 477.546 2.239 30 10 JEEE Cc1cc(N2CCOCC2)nc(CNC(=O)[C@@H]2SCC(=O)N(C(C)C)[C@@H]2c2ccc(C#N)cc2)n1 1889434735 AUISVIFKAURCLQ-DNQXCXABSA-N 494.621 2.203 30 10 JEEE CC(C)N1C(=O)CS[C@H](C(=O)N2CCC[C@H](NC(=O)C3CC3)C2)[C@H]1c1ccc(C#N)cc1 1890239889 XLXJNITZTPTYOW-NNWRFLSQSA-N 454.596 2.469 30 10 JEEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)Cc3csc(NC(=O)C4CC4)n3)CC2)CC1 1890393508 HOJPNSDSBBPDKS-UHFFFAOYSA-N 487.670 2.071 30 10 JEEE CN1CCN(CC#CCOC2CCN(C(=O)c3cc(=O)c(OCc4ccccc4)co3)CC2)CC1 1891246334 JHIXUSRYHNGPDF-UHFFFAOYSA-N 479.577 2.091 30 10 JEEE CCSC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2060640204 QXWJHODVCQUKOS-CQSZACIVSA-N 452.386 2.361 30 10 JEEE Cn1nc(C(=O)NCCNC(=O)OCc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2243393123 MZOLBYVNGSKRAO-UHFFFAOYSA-N 462.743 2.029 30 10 JEEE COC1(CNC(=O)c2ccsc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2255798959 YWXZXPYIQXRUPS-UHFFFAOYSA-N 452.382 2.413 30 10 JEEE Cn1cc(C(=O)N[C@@H]2CCCN(C(=O)OCc3ccccc3)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2255825981 IWPRCTHHHXPEBA-GOSISDBHSA-N 468.363 2.250 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)[C@@H](CO)C1 2255832782 RICPDZIIYHQZSF-OAHLLOKOSA-N 452.382 2.101 30 10 JEEE CC[C@]1(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)CCCN1C(=O)OC(C)(C)C 2256626571 LLMKWNVFDNXPQM-HXUWFJFHSA-N 452.386 2.377 30 10 JEEE C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CN(C(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)CCO1 2267015580 QEKLKFZRNKUZSL-GDBMZVCRSA-N 450.341 2.333 30 10 JEEE Cc1cc(S(=O)(=O)N[C@H]2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)sc1B1OC(C)(C)C(C)(C)O1 2267352058 AOYXSASJWSSYCA-FOLVSLTJSA-N 484.449 2.499 30 10 JEEE CN(C)C(=O)CN(Cc1ccccc1)S(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2267377297 DCVYGRJMHPDXFL-UHFFFAOYSA-N 458.389 2.265 30 10 JEEE CC1(C)OB(c2scnc2CS(=O)(=O)N2CC3(CN(Cc4ccccc4)C3)C2)OC1(C)C 2267468949 ZCEMCJXITFDVDE-UHFFFAOYSA-N 475.445 2.090 30 10 JEEE CO[C@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)oc2C)C[C@@H]1NC(=O)OC(C)(C)C 2267501934 FXEQFBNEORQRKO-HOTGVXAUSA-N 450.341 2.251 30 10 JEEE C=C(CS(=O)(=O)NCC12COC(CNC(=O)OC(C)(C)C)(C1)C2)B1OC(C)(C)C(C)(C)O1 2267727960 MZBWHSPAEKVOAB-UHFFFAOYSA-N 472.413 2.167 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(O)cc1O 2267805280 HQEVOAQSFBXFHC-OLZOCXBDSA-N 450.341 2.429 30 10 JEEE CN(Cc1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(=O)[C@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C 2268631193 UXDLOMLVOLUELY-NVXWUHKLSA-N 466.409 2.376 30 10 JEEE CO[C@@H]1C[C@H](C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)N(C(=O)OC(C)(C)C)C1 2268642970 ILJNLFQDJOGXNI-ZIAGYGMSSA-N 467.397 2.083 30 10 JEEE C[C@H]1CN(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C[C@@H](C)N1C(=O)OC(C)(C)C 2268680271 LDELAYRASPBNRR-BETUJISGSA-N 467.401 2.121 30 10 JEEE CC(C)(C)OC(=O)NCC(C)(C)OCCNC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2278314932 ATWLMKSZGPEWPU-UHFFFAOYSA-N 469.413 2.492 30 10 JEEE Cc1c(C(=O)N(C)[C@@H](CNC(=O)OC(C)(C)C)C2CC2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281795882 IAXZXELESGPKTP-INIZCTEOSA-N 462.400 2.403 30 10 JEEE Cc1c(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H]3CC[C@H]32)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281984343 BZKJGMUFNCHVDI-HZPDHXFCSA-N 460.384 2.252 30 10 JEEE Cc1ccnc(C(=O)N2C[C@@H](NC(=O)C(F)(F)F)CC[C@H]2C)c1B1OC(C)(C)C(C)(C)O1 2281998943 VIJVFFOLGPVIRW-KGLIPLIRSA-N 455.286 2.361 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(F)c(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)c1 2282019790 QNUOPHBWEOZKHD-DLBZAZTESA-N 464.343 2.143 30 10 JEEE CCn1cc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C23CC3)nc1B1OC(C)(C)C(C)(C)O1 2282038148 DVVZQETUSSRDJJ-MRXNPFEDSA-N 460.384 2.474 30 10 JEEE Cc1c(C(=O)NCC[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282059527 JPUQENLSUNRBQV-IYBDPMFKSA-N 462.400 2.451 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)CC12CCC2 2282177557 HNPRCBAUVYCZIM-HNNXBMFYSA-N 458.368 2.438 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)c(F)c2)C1 2282326208 PDJKVDDDWBCFLR-JLCFBVMHSA-N 482.383 2.413 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](C1)CN2S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282351220 XYSCPGTTXIBXAF-WBVHZDCISA-N 479.408 2.011 30 10 JEEE CC1(C)OB(c2ccc(C(=O)NC[C@]3(O)CCN(Cc4ccccc4)C3)c(F)c2)OC1(C)C 2282399456 OCCQQVGNWRKNKW-RUZDIDTESA-N 454.351 2.492 30 10 JEEE CCc1nc(C(=O)N[C@H]2COC[C@@H]2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2282526792 UNJIMGXWTDRZBG-KBPBESRZSA-N 481.424 2.274 30 10 JEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2282625455 VQJCOLGNNCYCOB-HWWDLCQESA-N 462.400 2.341 30 10 JEEE CC1(NC(=O)OC(C)(C)C)CCN(S(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CC1 2282824525 BTMDFFXYAQMSAR-UHFFFAOYSA-N 481.424 2.449 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](NS(=O)(=O)Cc2cccc(B3OC(C)(C)C(C)(C)O3)c2)CCO1 2282845601 WLXBCQHVPGAHFJ-SFHVURJKSA-N 482.408 2.346 30 10 JEEE Cc1ccnc(C(=O)N2CCC[C@@H](NC(=O)C(F)(F)F)CC2)c1B1OC(C)(C)C(C)(C)O1 2286121738 UCDXYKBSPLGYKW-CQSZACIVSA-N 455.286 2.362 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2C[C@]2(CNC(=O)OC(C)(C)C)C1 2288248479 YFNGWFBQPYXELV-WNSKOXEYSA-N 460.384 2.189 30 10 JEEE CCN1CCN(c2c(C=C3SC(=S)N(CCCOC)C3=O)c(C)c(C#N)c(=O)n2CC)CC1 2314426067 JTRBFMNZLLGQSR-UHFFFAOYSA-N 489.667 2.428 30 10 JEEE COc1ccc(N2C[C@H](c3nnc(SCC(N)=O)n3N=Cc3ccccc3OC)CC2=O)cc1 2325880668 JDPRXXOQYYQBQV-MRXNPFEDSA-N 480.550 2.275 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@H]2NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2359272711 OGTRXRATYNGKQY-OWQGQXMQSA-N 482.383 2.411 30 10 JEEE Cc1c(C(=O)NC[C@H]2[C@@H]3C[C@@H]3CN2C(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2359278037 QGUADHBOIIKSSU-OAGGEKHMSA-N 460.384 2.013 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CC[C@H]2CC[C@H]1N2C(=O)OC(C)(C)C 2362456571 HNOCMOYLIADKDH-ARFHVFGLSA-N 460.384 2.380 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H]3CC[C@H]2[C@H]3NC(=O)OC(C)(C)C)n1C 2362488141 SJHRCEPKOLLCMP-PMPSAXMXSA-N 460.384 2.155 30 10 JEEE C=CCSc1nnc(NC(=O)CSc2nnc(CNc3ccc(OC)cc3)n2N)s1 59312196 XRBSXAFLHUCVBX-UHFFFAOYSA-N 464.602 2.473 30 10 JEEE Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCN(c4ncccc4C#N)CC3)C2)cc1 506085080 IISNTTCUKCOZLO-FQEVSTJZSA-N 453.568 2.011 30 10 JEEE C#CCN(C(=O)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1)[C@H]1CCS(=O)(=O)C1 729331497 NXHHRTUMJDLICO-AUFJSOOLSA-N 458.561 2.362 30 10 JEEE CCOCCCn1c(=C(C#N)C(=O)N[C@H]2CCCC[C@H]2C)sc(=Cc2cnn3ccccc23)c1=O 729671701 VWIMLGFPRSASMU-NQIIRXRSSA-N 493.633 2.182 30 10 JEEE CC(C)(O)CC[C@H](O)[C@@](C)(O)[C@H]1CC[C@]2(O)C3=C/C(=N\O)[C@H]4C[C@H](O)[C@H](O)C[C@@]4(C)[C@H]3CC[C@@]12C 1074744262 CBQFTGKSOCYQEV-PCACWOPDSA-N 495.657 2.115 30 10 JEEE Cc1ccc(S(=O)(=O)NN=C2C(=O)N(CCN3C(=O)c4ccccc4C3=O)c3ccccc32)cc1 1084320893 LZQIHFXDTMXXIX-UHFFFAOYSA-N 488.525 2.320 30 10 JEEE CC(=O)Nc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)NCC3(C#N)CC3)cc2)cc1 1139319242 GUWVBNMQQFBAEC-UHFFFAOYSA-N 456.524 2.269 30 10 JEEE N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)[C@H](CO)NC(=O)OCc2ccccc2)CC1 1139787766 AXDSSNIOEQDMAG-LEWJYISDSA-N 456.930 2.336 30 10 JEEE C#C[C@H](CO)NC(=O)c1cc(S(=O)(=O)Nc2cc(Cl)c(OC)cc2OC)ccc1C 1159762305 MRCRDBVXVFEZGK-CYBMUJFWSA-N 452.916 2.190 30 10 JEEE C#CCN1CCN(C(=O)CSc2nnc(-c3ccc(OC)cc3)n2C[C@@H]2CCCO2)CC1 1188169564 KJPMEEJDFQRHCZ-FQEVSTJZSA-N 455.584 2.002 30 10 JEEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(COCC(F)(F)F)c1 1286362091 VWXDGKLFBNAKBR-AWEZNQCLSA-N 459.494 2.085 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1C[C@H](F)COC)[C@@H]1CCS(=O)(=O)C1 1286385257 LVGQEHAKCHMUIW-YESZJQIVSA-N 468.526 2.168 30 10 JEEE C#CCN(c1nnc(-c2cc3c(s2)CCCCC3)n1CCOCCCO)[C@@H]1CCS(=O)(=O)C1 1286385315 WIAUVQBUAIEYTO-LJQANCHMSA-N 492.667 2.301 30 10 JEEE C#CCN(c1nnc(-c2ccccc2F)n1CCCN1CCCO[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1286387295 PVUSAVYYJGHWQN-PMACEKPBSA-N 489.617 2.212 30 10 JEEE C#CCN(c1nnc(C2CCCC2)n1CCOCC(F)(F)C(F)F)[C@H]1CCS(=O)(=O)C1 1286393504 LHRDNTHCGOWEDN-HNNXBMFYSA-N 466.501 2.479 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2CCCCN2CCC[C@H]2CO)CC1 1286479796 XRXNEYQHMGZGCE-QHCPKHFHSA-N 454.594 2.000 30 10 JEEE C#CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CC(=O)N(C)[C@H](C)C1 1286496911 KKRMBNDKJGTXRE-CYBMUJFWSA-N 451.394 2.079 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccccc2F)nnc1N(C)CC(=O)N1CCOCC1 1286567970 TZJLREMWKKJFAD-MBSDFSHPSA-N 473.549 2.272 30 10 JEEE C#CCN(c1nnc([C@H](C)OCCOC)n1Cc1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 1300484224 PDSFDCQYJNWZSQ-WMZOPIPTSA-N 466.991 2.331 30 10 JEEE C#CCN(c1nnc(-c2ccc(OCCC)c(OC)c2)n1C[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1300489394 NGNCPLZXYFZIDG-AZUAARDMSA-N 488.610 2.406 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCO3)n1CC[C@H](C(F)F)N1CCOCC1 1300522720 MMAWCFOQOLSUSI-GOSISDBHSA-N 457.481 2.103 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)ccc3Br)n2C[C@]2(O)CCO[C@H]2C)CC1 1300689547 YIJHZMJNANWSOW-KSFYIVLOSA-N 490.402 2.011 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2CCCc2cnn(C)c2)CC1 1300729286 UGKMDLWWCWONGK-UHFFFAOYSA-N 451.600 2.263 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](C)CN1CCOCC1 1301340266 XUIMDFIATFQRII-SIKLNZKXSA-N 463.586 2.262 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@H]1[C@@H]1CCCO1 1301479105 TZVCBVZCLKJURU-OALUTQOASA-N 472.977 2.312 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](F)[C@@H](c2ccccc2)C1 1301567509 HXEBKHCQGFPNQN-RTBURBONSA-N 461.563 2.057 30 10 JEEE CCCCN(C)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1306684021 FOFOVAZLLUNECK-RTWAWAEBSA-N 451.575 2.411 30 10 JEEE N#Cc1ccc(Cn2cnc(NC(=O)[C@@H]3CCCN(S(=O)(=O)c4ccccc4)C3)n2)cc1 1354673499 CTEMKKKELZHAJG-LJQANCHMSA-N 450.524 2.237 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@H]1CCCCS1(=O)=O 1358876664 OKVDFMFYFJDUHN-DOTOQJQBSA-N 462.572 2.396 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1CC1C[C@H](C)O[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1358965050 MZGMQRVTLSXPAL-FTRWYGJKSA-N 477.656 2.464 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(C)cc2OCCOC)CC1 1359044704 MLSVWNFYZHYRJX-QFIPXVFZSA-N 481.597 2.130 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2ccccc2F)C1 1359133154 MJIORWWLUAZCID-YLJYHZDGSA-N 464.563 2.490 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC1(O)CCOCC1 1359275510 VVMOJEOQTHROOE-NRFANRHFSA-N 474.627 2.347 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H]2CCOC2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1359309957 IHVKUEZZPUWTMC-LJQANCHMSA-N 475.615 2.255 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccc(N3CCCC3=O)c2)C1 1359312062 MVIOBZUHQXHGFY-FQEVSTJZSA-N 452.559 2.373 30 10 JEEE C#CCNC(=O)CN1CCCN(C(=O)c2cc(Nc3nc(C)cc(C)n3)ccc2Cl)CC1 1464844542 IQHJQIJPJLTDJG-UHFFFAOYSA-N 454.962 2.388 30 10 JEEE COc1ccc(CN(CCO)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c(OC)c1 1469762110 BVNOVHZBGLTWPM-NRFANRHFSA-N 452.511 2.275 30 10 JEEE CCCC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)N2CCOCC2)C1 1499877359 BQTXMZHDGXRQLJ-KNQAVFIVSA-N 465.602 2.423 30 10 JEEE CCn1cnnc1Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCO[C@H](C#N)C1 1502239521 GUGDXRWHLSAPFF-CQSZACIVSA-N 473.335 2.105 30 10 JEEE CNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(Nc2cccnn2)CC1 1503694392 FIRNAPQTUSPFAD-UHFFFAOYSA-N 459.558 2.460 30 10 JEEE COc1cc(Cl)ccc1-c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@H]1CCS(=O)(=O)C1 1504102233 DBLUTRDLRXLYPI-BFUOFWGJSA-N 453.927 2.484 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H](OCC)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1507631271 NGJNWUXEARTYMT-FPOVZHCZSA-N 466.567 2.140 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@@H](C)N(C)C1CC1)[C@H]1CCS(=O)(=O)C1 1507634108 LCUCLBQEEUFZDK-KNQAVFIVSA-N 455.628 2.287 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1[C@H](C)CCN1C(=O)OC(C)(C)C 1507666585 CNNDWHZMETUJKC-QYZOEREBSA-N 454.575 2.338 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(N2CCSCC2)CCCC1 1507688996 FYJNHYOYPPWDST-SFHVURJKSA-N 451.662 2.001 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 1507712483 GEUDBGULHQXFGF-QZTJIDSGSA-N 472.590 2.105 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCC(=O)N[C@@H](C)CC)CC1 1507735147 LZGABEMBZTWYKW-INIZCTEOSA-N 471.993 2.264 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1508098917 SXAUVDKMYBFLGW-YJLYGGOZSA-N 461.607 2.273 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1508145907 QHHOWNJMDSVZPA-UHFFFAOYSA-N 477.591 2.097 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(CC(=O)N(C)C)CC1 1508149500 WEASXDYRRCQCKE-TZIWHRDSSA-N 495.690 2.492 30 10 JEEE Cc1cccnc1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1511364506 ASKBLSSTIWDQHR-IBGZPJMESA-N 452.540 2.104 30 10 JEEE Cn1cc(-c2nnc(N3CCC(CC#N)CC3)n2C[C@H](N2CCOCC2)C(F)(F)F)cn1 1517369885 DTYLCIFACCBAIT-KRWDZBQOSA-N 452.485 2.072 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CCCN(C)CC(F)(F)F)c1 1539042008 BCXDVTWLCFCHNT-SFHVURJKSA-N 491.518 2.170 30 10 JEEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC2(CC1)CNC(=O)C2 1539051792 HRKSAYQUDBKIBB-UHFFFAOYSA-N 484.626 2.105 30 10 JEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1539072396 QQDCILVVPAXXPR-HNNXBMFYSA-N 465.517 2.006 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccc(NC(=O)CCC)cc1)[C@H]1CCS(=O)(=O)C1 1539215434 BVWFNARYULPTLL-NRFANRHFSA-N 495.609 2.092 30 10 JEEE C#CCN(c1nnc(COc2cc(C)ccc2C(C)C)n1Cc1cnnn1C)[C@@H]1CCS(=O)(=O)C1 1539229342 BSTGZOSFMZYBBI-LJQANCHMSA-N 497.625 2.092 30 10 JEEE C#CCN(c1nnc(COCC)n1C[C@H](c1ccco1)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 1539230000 AYVOFXINZPHIDM-VQTJNVASSA-N 475.615 2.262 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@](C)(OC)C1CC1 1539246690 VSOBUYUFFAAXLT-QHCPKHFHSA-N 455.584 2.083 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2cc(COC(C)(C)C)on2)CC1 1539477670 VJSZGLYJQOEBLC-UHFFFAOYSA-N 478.557 2.052 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CC(C)(C)NC(=O)OC(C)(C)C)CC1 1539484262 JGYUPFCXBWOQKU-UHFFFAOYSA-N 458.607 2.500 30 10 JEEE C=C(Cl)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C)C(=O)[C@@H]1C 1539803086 DKNJESNLDVPRAX-LSDHHAIUSA-N 454.959 2.006 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCO[C@@H]2CCCC[C@H]2C)CC1 1539847102 AABJUMMGFIZFHL-AQNXPRMDSA-N 467.636 2.363 30 10 JEEE C=C1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC2(C(N)=O)CCOCC2)CC1 1539861345 RXFOJCVRSZIEPI-HDICACEKSA-N 474.606 2.487 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 1540868564 JIBKXGSMCFYMTD-UGKGYDQZSA-N 462.602 2.470 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@H]2CC=CCO2)C1 1540885261 FDYQXDSSYKBIID-UXHICEINSA-N 473.599 2.322 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCC(N(C)C(C)=O)CC1 1540903436 DVCIGKVTXCNDNW-UHFFFAOYSA-N 463.579 2.056 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1Cc1ccccc1CN1CCCC1=O 1541925313 AKLNWMYQVLMNRK-GOSISDBHSA-N 499.641 2.189 30 10 JEEE N#Cc1ccc(OCc2nnc(N3CCO[C@H](C(F)(F)F)C3)n2CCCN2CCOC2=O)cc1 1555990015 CKNWXWBXQSYJQY-KRWDZBQOSA-N 480.447 2.339 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1CC(=O)Nc1c(C)cccc1C)[C@H]1CCS(=O)(=O)C1 1588065301 WISMIIYJIURBII-IBGZPJMESA-N 455.584 2.113 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1Cc1ccc(OC)nc1)[C@H]1CCS(=O)(=O)C1 1588069583 QTKZGLMSFDNLHN-FQEVSTJZSA-N 481.578 2.244 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCOC[C@@H]1OC 1588400043 UKOIOTNIZHCDIS-QYZOEREBSA-N 463.579 2.098 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc(C)o3)n2C[C@H]2CCCS(=O)(=O)C2)n1 1588723214 KKEVTHBJZJPOTN-LJQANCHMSA-N 486.598 2.154 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC2(COC)CCC2)CC1 1588733755 ZNGJMDLYRLOUDG-UHFFFAOYSA-N 471.005 2.433 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccnc(OCC(F)(F)F)c2)CC1 1588811431 IYCQNVPEZAETPY-GOSISDBHSA-N 464.492 2.312 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@](C)(O)c2ccccc2Cl)CC1 1588876906 NJVWIFSVSMMZFL-RUZDIDTESA-N 499.015 2.041 30 10 JEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN([C@@H](C)c2nc(C(C)C)no2)CC1 1588969179 WMABFHNTCGAZSW-SFHVURJKSA-N 486.646 2.270 30 10 JEEE C#CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CCC(C(N)=O)CC1 1588993831 OALDCRZCSHKGLS-UHFFFAOYSA-N 451.394 2.114 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1cccc(C(N)=O)c1 1589482764 KZYANZPTBCHIDA-WOJBJXKFSA-N 452.559 2.231 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 1593746749 MBLZGMKZAVICRN-HXUWFJFHSA-N 479.647 2.144 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1595476783 NLAGPCFSOCKPPF-SJLPKXTDSA-N 453.522 2.036 30 10 JEEE CC(C)(C)OC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N2CCOCC2)CC1 1597522968 HPMXSNLGBYYVII-UHFFFAOYSA-N 495.584 2.169 30 10 JEEE CC(C)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)N1CCOCC1)N1CCCC1 1598264468 DYNNDCKSSYKSGU-QFIPXVFZSA-N 465.602 2.232 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@@]1(OC)CCOC1 1613585859 CMTHXPWXESCIGO-VWLOTQADSA-N 481.601 2.200 30 10 JEEE COc1ccc(CNC(C)=O)cc1S(=O)(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 1622300442 GDVYWOGLGXMRGH-UHFFFAOYSA-N 456.568 2.146 30 10 JEEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)n[nH]2)c1C 1624993887 VAPOOONAKQEALR-UHFFFAOYSA-N 454.556 2.223 30 10 JEEE CCCc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3C#N)CC2)cc1 1661480757 HKACWNNDQSMKPT-UHFFFAOYSA-N 451.545 2.345 30 10 JEEE C#C[C@@H](NS(=O)(=O)CCNS(=O)(=O)c1ccccc1)c1ccc(Br)cc1 1663548145 JFJBROQBYBYLAP-QGZVFWFLSA-N 457.371 2.021 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCCNS(=O)(=O)CC 1689847659 FDWNPIKPWFTYSX-QGZVFWFLSA-N 485.614 2.023 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1C[C@H](c1cccs1)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1689979729 GLYGDJHGKPPGAB-RTBURBONSA-N 491.683 2.337 30 10 JEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1C[C@@H]1CCOC[C@H]1OC)[C@@H]1CCS(=O)(=O)C1 1689982429 NCTTXSRKZWPXBS-DFQSSKMNSA-N 479.002 2.277 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CC1C[C@H](C)O[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1689994407 XQPNUSLDLBTZBR-WFXMLNOXSA-N 457.600 2.094 30 10 JEEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1CCN(C(C)=O)CC1 1690046850 HNXRDKPOESVFRQ-UHFFFAOYSA-N 474.613 2.174 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3CC)n2Cc2ccn(C)n2)CC1 1690152616 RQOJPVZAYKKPCK-UHFFFAOYSA-N 461.570 2.167 30 10 JEEE C#CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1690166164 WVANDTSIUVKATA-GOSISDBHSA-N 468.627 2.109 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](COCC)C1 1690245930 OSRVCWZAHOUIJF-YRPNKDGESA-N 452.621 2.414 30 10 JEEE C=C(C)COCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1690302326 APWBCTKCIGDWKG-KRWDZBQOSA-N 451.474 2.090 30 10 JEEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C(C)C)CC2)cc1 1690679307 QFBSERXMTBCTQM-SFHVURJKSA-N 462.620 2.032 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(N2CCCCC2)CC1 1690732280 YIWJQIDCQXVEIY-FPOVZHCZSA-N 481.663 2.058 30 10 JEEE COCC[C@@](C)(O)Cn1c(COc2ccc(Br)cc2)nnc1N1CCO[C@@H](C#N)C1 1697934324 CDLNUQKIDQWQPF-FXAWDEMLSA-N 480.363 2.136 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1cccc([N+](=O)[O-])c1)C1CC1 1705534213 BXIUFSILWLJLKV-FQEVSTJZSA-N 488.570 2.102 30 10 JEEE C#CCN(c1nnc(C2CC2)n1C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1 1705567080 TZSNORZDFABPLP-HKUYNNGSSA-N 477.631 2.429 30 10 JEEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1C[C@@H]1CCOC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1705567916 CPTJXEDAQJYOFD-HSALFYBXSA-N 488.610 2.165 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCc1c(C)cccc1C)[C@H]1CCS(=O)(=O)C1 1705571929 LOMVHTCOQSCYSB-FUDKSRODSA-N 486.638 2.488 30 10 JEEE C#CCN(CC)c1nnc(COc2ccc(Cl)cc2)n1CCN/C(O)=C1/N=CC=CC1=O 1705617172 WGUUKRQRAHEFBM-MRCUWXFGSA-N 454.918 2.496 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2Cc2cc(C)on2)CC1 1705646949 URQWCEPYFNPFFP-UHFFFAOYSA-N 494.552 2.281 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1705899280 NKWRNDCEIQHUDZ-AWEZNQCLSA-N 482.404 2.023 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1705906216 XAZMPSZEWWTILS-UHFFFAOYSA-N 468.558 2.334 30 10 JEEE C=CCOc1ccccc1Cn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1705912649 PQGOOWDKYHNZGN-UHFFFAOYSA-N 477.569 2.060 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCOc2ccc(OC)cc2)C1 1705925461 PPZFUSOLKZPBIY-FXAWDEMLSA-N 462.572 2.049 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)C(C)C)C1 1705925685 SOLRFTWUBWHUEL-MSOLQXFVSA-N 455.625 2.075 30 10 JEEE CCC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1709441757 BINSZXCNDSBEGQ-XMMPIXPASA-N 453.591 2.014 30 10 JEEE COC[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1712129818 CKVMJKBNEMCCGA-HXUWFJFHSA-N 465.602 2.234 30 10 JEEE COCC[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCS(=O)(=O)C2)C1 1712354761 HYYKSLMODJUCGH-UXHICEINSA-N 473.599 2.416 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1ccnc(SCC)c1)[C@H]1CCS(=O)(=O)C1 1722365553 FOOUDVCGBNULEJ-MOPGFXCFSA-N 475.640 2.354 30 10 JEEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1CC1([S@](C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1722370311 BICVIPQPXKINOY-GTJUCTONSA-N 490.651 2.012 30 10 JEEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1C[C@@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1722370961 GBQQDMDJXFJICE-XXBNENTESA-N 460.600 2.262 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCCCC2(F)F)CC1 1722441257 OYIPIXGDVAYWPD-SFHVURJKSA-N 462.545 2.305 30 10 JEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@@H](C)CNC(=O)OC(C)(C)C 1722446557 DBYNHVIVVGEOMJ-INIZCTEOSA-N 474.562 2.253 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3CC)n2Cc2cnn(C)c2)CC1 1722450397 GZGACYYHIWRNCW-UHFFFAOYSA-N 461.570 2.167 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1722502166 RMUVTXXOEJHWER-AKFKNWHVSA-N 476.666 2.027 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1[C@H]1C[C@H]1C 1722653848 FEYIOHWSSFFSAU-UXPWSPDFSA-N 461.588 2.393 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N(C)C1CCN(C(=O)c2ccccc2)CC1 1722700292 DODKVKOGNSLHDY-UHFFFAOYSA-N 473.581 2.307 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCN(c2ncccc2F)CC1 1722730277 NEABIBWMAWHNET-UHFFFAOYSA-N 462.595 2.472 30 10 JEEE CCNC(=O)C(C)(C)Cn1c(-c2cccc(C)n2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1728645769 CLLZAPURFCOQOT-GOSISDBHSA-N 488.600 2.188 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(C)C)n1CC1(S(C)(=O)=O)CCC1 1740675432 BWJQETYIZIPTRX-UHFFFAOYSA-N 461.563 2.163 30 10 JEEE C=C(C)COCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCCN(S(C)(=O)=O)CC1 1740795741 CGENQQCYJFZDEO-UHFFFAOYSA-N 472.615 2.415 30 10 JEEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)N2CCCC2)CC1 1740796063 MPGXFHSXDSVYSK-UHFFFAOYSA-N 456.595 2.070 30 10 JEEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1740963720 VALFHXYNHQFOIA-OAQYLSRUSA-N 468.602 2.016 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1740993341 YEXJSVCLVRKJOX-UHFFFAOYSA-N 493.515 2.236 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CCCn1cc(CO)nn1 1748655686 DOPVUFCWJNJDLC-AWEZNQCLSA-N 474.363 2.348 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CC1(OC)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1748815978 VCCKXRGMNOBMOV-RTBURBONSA-N 450.605 2.496 30 10 JEEE C#CCN(c1nnc(Cn2ccc3ccccc32)n1C[C@@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1748822169 ZHKIKIUBFDKJGQ-CVDCTZTESA-N 455.584 2.069 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2Cc2ccc(C[S@@](C)=O)cc2)CC1 1749014748 MXVKQFBVYARAKC-JGCGQSQUSA-N 455.628 2.369 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2C[C@H]2CCCN2CC)CC1 1749019104 KZBYCXHXXYLKRZ-HXUWFJFHSA-N 468.577 2.446 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2CCO[C@@H]2C(C)C)CC1 1749020374 QVRCJATVXBEQPU-KJJMTIBFSA-N 473.618 2.029 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CCOC)C(=O)C1 1749122479 WNVCPXZDXZMAIL-IFMALSPDSA-N 450.543 2.093 30 10 JEEE C=C(C)COCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1749216115 JQOXZACINWAUGK-SFHVURJKSA-N 456.547 2.111 30 10 JEEE C=C(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](CN2CCOCC2)C1)c1ccccc1 1749242354 GZPYVMGCTQEPIE-NHCUHLMSSA-N 488.658 2.150 30 10 JEEE C=CCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1749420005 WWACJJOOTUQRSQ-UHFFFAOYSA-N 467.555 2.423 30 10 JEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2cccc(C)c2)CC1 1749458325 ZDQSWWPZWIUSSV-JOCHJYFZSA-N 473.643 2.404 30 10 JEEE COCC[C@](C)(O)Cn1c(-c2ccccn2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1749605810 DHHWLKYWUIQLBN-DEOSSOPVSA-N 465.533 2.465 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1749650519 AGVGMFLJEGLLLR-DLBZAZTESA-N 474.009 2.083 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCN(C2CCCC2)CC1 1749680200 GPIINSZAVSBKIW-UHFFFAOYSA-N 454.575 2.233 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1749737952 BEUGKTBCKRUWJW-HXUWFJFHSA-N 479.672 2.080 30 10 JEEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(Cc2ccc(F)cc2)n1CCCC(=O)N(C)C 1752280526 FDMBFEQVYLMEDS-GOSISDBHSA-N 491.575 2.253 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1760102887 UNZUXNJPJWSDTK-MOPGFXCFSA-N 494.621 2.475 30 10 JEEE C#CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1760129794 ZICKSNUHKLAMCQ-NRFANRHFSA-N 452.559 2.292 30 10 JEEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1760175928 VHSVYNMDFFPICE-QGZVFWFLSA-N 462.524 2.406 30 10 JEEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1CCCOC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1760190456 QTYUJANQYCXUEB-QGZVFWFLSA-N 496.515 2.070 30 10 JEEE C#CCN(c1nnc(CCOc2ccccc2)n1CCc1cccc(C)n1)[C@H]1CCS(=O)(=O)C1 1760191523 IWNHUZHHJYMGLJ-QFIPXVFZSA-N 479.606 2.472 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCN1CCCC1 1760248034 YNCXFQLYTLQMMU-UHFFFAOYSA-N 463.586 2.418 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC2(OC)CCCC2)CC1 1760261199 ICKSFOYLQVMESV-HXUWFJFHSA-N 488.633 2.301 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2Cc2ccccc2S(=O)(=O)N(C)C)CC1 1760266300 VEEBAYXXDVHSSY-GOSISDBHSA-N 486.642 2.056 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cn(C)c4ccccc34)n2CC(C)(C)C(=O)NC)CC1 1760268650 NTHSQWOFVXVFOY-UHFFFAOYSA-N 475.597 2.175 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCCN2C[C@H](C)C[C@@H](C)C2)CC1 1760269997 RMCUXYZJVCZQSL-KCZVDYSFSA-N 456.635 2.116 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](C)NC(=O)OC(C)(C)C)CC1 1760402389 LIHBZCWVTVOHMB-WBVHZDCISA-N 453.609 2.496 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CC(C)C)CC1 1760528798 MQUMNPFBGOAYQI-IBGZPJMESA-N 475.638 2.430 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCS[C@H](C(C)C)C2)nnc1[C@]1(OC(C)C)CCOC1 1760558276 LANCCEASGREHIR-RXVVDRJESA-N 472.677 2.497 30 10 JEEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](OC)[C@@H](C)CC)C1 1765671452 FDYWOQXLUINSCO-PWIZWCRZSA-N 460.604 2.396 30 10 JEEE CCOC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1765759648 CCPWDCVEGRFQBO-SFHVURJKSA-N 455.538 2.382 30 10 JEEE CO[C@H](O)C(=O)[C@@]12OC(C)(C)O[C@@H]1C[C@H]1[C@@H]3C[C@H](F)C4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]12C 1848439720 HNBDDNMDWWIOQL-QQQCIFNRSA-N 466.546 2.471 30 10 JEEE Cc1ccc([C@H](C#N)NC(=O)[C@@H](CO)NC(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1 1867534967 KQQSOUCRDWOZBX-XZOQPEGZSA-N 482.496 2.267 30 10 JEEE CCC[C@H](NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1)C(=O)N1CCN(C(C)=O)CC1 1868783702 UHPTZKURKRBNNF-PMACEKPBSA-N 459.616 2.000 30 10 JEEE C=CCn1cc(OCC(=O)Nc2ccccc2)c(=O)cc1CN1CCN(C(=O)OCC)CC1 1870758119 PLGGCQMSFDYFRY-UHFFFAOYSA-N 454.527 2.326 30 10 JEEE CCN(CC)C(=O)CSc1nnc(CCOC)n1/N=C/c1cc(OC)c(OC)cc1OC 1874469689 RYGBBLXGYBTEIZ-LPYMAVHISA-N 465.576 2.336 30 10 JEEE C=CCn1c(C(=O)N2CCN(c3ccccc3F)CC2)cc2c(NCCOCCO)ncnc21 1875230763 MYYFLDPUFCNPJE-UHFFFAOYSA-N 468.533 2.140 30 10 JEEE Cc1nc(NC(=O)C2CN(C(=O)OCc3ccccc3)C2)ncc1B1OC(C)(C)C(C)(C)O1 2248445603 OJJKDUCLKUFUBS-UHFFFAOYSA-N 452.320 2.291 30 10 JEEE CC1(C)OB(c2ccoc2C(=O)N[C@@H]2COCCN(C(=O)OCc3ccccc3)C2)OC1(C)C 2255813985 SUDZDTHXOZPZNW-SFHVURJKSA-N 470.331 2.346 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCCONC(=O)OC(C)(C)C 2255930946 CQEIZSRREDWAMW-UHFFFAOYSA-N 456.370 2.029 30 10 JEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)o1 2267130813 SQLUGVWTMZEQOC-GDBMZVCRSA-N 450.341 2.251 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H]1NS(=O)(=O)Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2267465635 PRGHVPZYFYTGOU-SJLPKXTDSA-N 466.409 2.318 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1[C@H]2C[C@@H](CN(C(=O)[C@@H]3C[C@@H]3B3OC(C)(C)C(C)(C)O3)C2)[C@H]1CO 2267563695 PNSBXJIUVZODAZ-PVWHLQNVSA-N 450.385 2.449 30 10 JEEE CC1(C)OB(c2ccsc2S(=O)(=O)N2CCC[C@H](NC(=O)C(F)(F)F)CC2)OC1(C)C 2270597995 ZSHNZPDUQBQXRR-LBPRGKRZSA-N 482.355 2.269 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1CC(F)(F)CN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2278901599 PSCAJWWXFVNFCG-GFCCVEGCSA-N 456.299 2.083 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2cc(F)ccc2B2OC(C)(C)C(C)(C)O2)[C@H](O)C1 2281778670 XEVZMIOYZPUDHE-QZTJIDSGSA-N 464.343 2.225 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)[C@H]2COC[C@H]21 2281948316 UHENLSWKYSPPQI-RBUKOAKNSA-N 458.364 2.446 30 10 JEEE CC(C)(C)OC(=O)Nc1cnn2c1N(C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)CCC2 2281982679 ONNWSGRKHSRBNJ-UHFFFAOYSA-N 458.328 2.303 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@H]([S@@](C)(=O)=NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2281983164 SIISQINVHDDPBH-RPLXOIEJSA-N 482.412 2.346 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@]12CC[C@H]1CN(C(=O)OC(C)(C)C)C2 2282005982 SIHXATDLYRWJGH-NPMXOYFQSA-N 460.384 2.157 30 10 JEEE C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)CCN1C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2282551033 GXWFNEINESPSNA-CVEARBPZSA-N 462.400 2.485 30 10 JEEE CC(C)(C)OC(=O)NCc1ncc(NC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)cn1 2282678930 SSZWIFCCRLZDLW-UHFFFAOYSA-N 455.324 2.448 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H]1COCC[C@@H]1NC(=O)OC(C)(C)C 2282693519 NBJXCTVYSQDQGL-IRXDYDNUSA-N 463.384 2.219 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CN(S(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CC12CC2 2282830461 UUVFSLGREJPMBN-KRWDZBQOSA-N 479.408 2.059 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@@H]2CNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282842680 BIHMOJBTQMAXEO-FMKPAKJESA-N 499.464 2.117 30 10 JEEE CC(C)(C)OC(=O)N1CC(=O)NC[C@H]1C(=O)Nc1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2283958383 YQCSVIDOBMZHCP-INIZCTEOSA-N 479.770 2.313 30 10 JEEE CC(C)(C)OC(=O)NC(C)(C)[C@H](O)C(=O)NCCc1ccccc1B1OC(C)(C)C(C)(C)O1 2284018159 RKHGTPMDPMKXPK-GOSISDBHSA-N 462.396 2.309 30 10 JEEE CC(C)(C)OC(=O)N1[C@H](C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C[C@@H]2OCC[C@@H]21 2284060234 LHZAUPJIHPIUSJ-KKUMJFAQSA-N 479.408 2.225 30 10 JEEE CN(CCNC(=O)OC(C)(C)C)CC(=O)N1Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C1 2284067722 RIYZBDZRNBICPG-UHFFFAOYSA-N 459.396 2.285 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@](O)(C(=O)NCc2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2284130988 XHUCTZOWZXMHIC-XMMPIXPASA-N 460.380 2.364 30 10 JEEE Cc1csc(CNC(=O)[C@@H](CCC(N)=O)NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2284135129 LVLGVQWPOWVPJX-CQSZACIVSA-N 481.424 2.131 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1CC(F)(F)CN1C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2296425074 OCMLVQNOQIATSY-ZDUSSCGKSA-N 468.310 2.150 30 10 JEEE O=C1C(=O)N(CCCN2CCOCC2)[C@H](c2ccc([N+](=O)[O-])cc2)C1=C(O)c1ccncc1 2296930241 JVMNDSLNAWVRJN-HXUWFJFHSA-N 452.467 2.134 30 10 JEEE O=C(O)c1ccccc1C=Nn1c(SCCO)nnc1[C@@H]1CC(=O)N(Cc2ccccc2)C1 2325924947 IPVGABDZFBFTGZ-GOSISDBHSA-N 465.535 2.459 30 10 JEEE Cn1nc(C(=O)N[C@]2(C)CN(C(=O)OC(C)(C)C)CC2(F)F)cc1B1OC(C)(C)C(C)(C)O1 2361544051 LUAFSUREQCOSMQ-HXUWFJFHSA-N 470.326 2.094 30 10 JEEE C=CCNC(=O)Nc1ccc(NC(=O)C2CCN(S(=O)(=O)c3c(C)n[nH]c3C)CC2)cc1 24437278 KFAZYVZFXSPKCO-UHFFFAOYSA-N 460.560 2.373 30 10 JEEE COc1cc2c(cc1OC)CN(C(=O)CSc1n[nH]c(N/N=C/c3c(C)nn(C)c3C)n1)CC2 59309939 VXIMUNMDPCXAGL-AUEPDCJTSA-N 484.586 2.295 30 10 JEEE C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@]1(O)C(=O)COS(C)(=O)=O 206704961 RAUCKOZDNRZODA-HEFSWPSQSA-N 487.014 2.149 30 10 JEEE N#CC(C(=O)c1ccccc1)=c1sc(=Cc2ccccn2)c(=O)n1Cc1ccc2c(c1)OCO2 254479291 CWCDUCDKFQTWRD-UHFFFAOYSA-N 467.506 2.468 30 10 JEEE C=CCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2cc(C(=O)OC)c(C)o2)c1=O 590898224 YKJFBHARYOUBKV-UHFFFAOYSA-N 464.499 2.178 30 10 JEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(C)c(OC(F)F)c(C)c2)c(=O)n1C[C@H]1CCCO1 590915250 CJRZTRKESQVNGC-QGZVFWFLSA-N 489.544 2.112 30 10 JEEE CCOc1ccccc1NC(=O)CSc1nnc(NN=Cc2ccc([N+](=O)[O-])cc2)n1N 1084089261 XDXLYPYCPPJYHF-UHFFFAOYSA-N 456.488 2.476 30 10 JEEE COc1cc(C=NNc2nnc(SCC(=O)NC3CCCCC3)n2N)cc(OC)c1OC 1084426357 LSFMFTKRHMJDDN-UHFFFAOYSA-N 463.564 2.005 30 10 JEEE C#CCNC(=O)CN1CCCN(C(=O)c2cc(Br)ccc2Br)CC1 1144028545 TZBSKJBYIRBXGB-UHFFFAOYSA-N 457.166 2.109 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCOC(C)(C)C1 1286295191 HVLPUDZLMYLDJJ-RBUKOAKNSA-N 476.622 2.155 30 10 JEEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CCc1cccs1)[C@H]1CCS(=O)(=O)C1 1286384537 RIQGJEIUJHQXMP-PGRDOPGGSA-N 478.640 2.250 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Cl)n1CCC1(O)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1286388271 ZLXSSYDZSQIRHO-QGZVFWFLSA-N 479.002 2.157 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@@H]1CCOC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1286395016 YQDLWGVMYLXZBE-HJNYFJLDSA-N 456.612 2.363 30 10 JEEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1286535891 LVMFQPMTLRDZBV-CVEARBPZSA-N 496.410 2.308 30 10 JEEE C=C(C)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1286585780 PQXRGVWYEIDTNW-QHAWAJNXSA-N 462.639 2.205 30 10 JEEE C=CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCN(C(=O)NC)CC1 1286700753 MMFBYZYZSOHLQC-UHFFFAOYSA-N 464.574 2.493 30 10 JEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)N[C@H](C)c1ccccc1 1286727264 NUTGLEAZHBKNIW-UYAOXDASSA-N 476.647 2.363 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N1CCN(C(=O)COC)CC1 1286782648 BAHUZRYEMSBECV-UHFFFAOYSA-N 498.584 2.410 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCC(C(=O)NCc2ccc(F)cc2)CC1 1286821445 LFALCAMFHGJOBJ-UHFFFAOYSA-N 463.579 2.113 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1286821586 PSMQZBDPGCVSTP-KNQAVFIVSA-N 491.633 2.156 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)ccc2C)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1286824478 YSZSWRJZGGIXTP-UNMCSNQZSA-N 490.626 2.459 30 10 JEEE C[C@@H]1COCCN1c1nnc(COc2ccc(C#N)cc2)n1CCNC(=O)c1cccs1 1291305294 AEXGKBKBHKKLFL-MRXNPFEDSA-N 452.540 2.445 30 10 JEEE C#CCCCCn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1300357752 WUAHCFSODPZIJW-FQEVSTJZSA-N 472.615 2.083 30 10 JEEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1300558730 ARTWNCPLKNFSQD-BKSPAHHJSA-N 457.619 2.281 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CC(=O)NCC(F)F)CC1 1300683936 UITDZPNDOLXALV-GOSISDBHSA-N 460.529 2.171 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](CC)c3ccccc3)n2CC(=O)NCCC)CC1 1300715689 BQQBTJBMKPULOU-OAQYLSRUSA-N 450.587 2.312 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1300891172 JTKPRBOGOCCQLT-NVQXNPDNSA-N 496.656 2.263 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CCc2ccccc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1300893480 ZRHOTFZTUWJKPC-ZDXQCDESSA-N 453.587 2.386 30 10 JEEE C=C1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@]2(C)CN(C)C2=O)CC1 1301086994 RAURQLVZWHPGOI-UZUQRXQVSA-N 460.579 2.221 30 10 JEEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1 1301197838 ZXJTXADDNOONDW-MRXNPFEDSA-N 481.022 2.470 30 10 JEEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1ccc(NC(C)=O)nc1 1301422168 AUFXZFYXJAOMPO-UHFFFAOYSA-N 488.552 2.233 30 10 JEEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C2CC2)C1 1301459356 ZEHPFYWPJBLYOP-YESZJQIVSA-N 451.593 2.106 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCN(CCOC)[C@H](C)C1 1301496593 DMKBJYSGVBKNQK-GOSISDBHSA-N 465.558 2.059 30 10 JEEE C=CCNC(=O)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CC[C@H](C)[C@@H](C)C1 1301510084 SQUVLAGCFYSXKS-VXKWHMMOSA-N 465.646 2.427 30 10 JEEE C=CCOc1ccccc1Cn1c(C(C)C)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1301529451 JNJRVNOWVQQVSC-UHFFFAOYSA-N 454.575 2.188 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1301587702 XPQJWGJFCLWDST-RDPSFJRHSA-N 474.627 2.438 30 10 JEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1301612678 OXGCYHKFDAJWFW-QGZVFWFLSA-N 490.630 2.437 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1CCN(c2ccncc2)CC1 1301967856 HSVYKRAONMMAAF-MJGOQNOKSA-N 457.604 2.088 30 10 JEEE CC(C)OC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCC(O)CC2)CCO1 1303530352 CFPCYBABKVHXJS-HSZRJFAPSA-N 468.602 2.294 30 10 JEEE COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC[S@](=O)C(C)(C)C)CCO1 1315949206 ARJCRYVEBKBAGF-WHUARKNTSA-N 461.588 2.128 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccc(C)n3)n2CCS(=O)(=O)CC=C)c1 1358902482 PLTSGLQPKGLBME-UHFFFAOYSA-N 478.578 2.306 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1Cc1csc(COC)n1)[C@H]1CCS(=O)(=O)C1 1358965212 QDHFIAXORGSRFP-FQEVSTJZSA-N 485.635 2.455 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1CCn1cc(Br)cn1 1358980839 LZLBZAGTCBGWHI-UHFFFAOYSA-N 463.343 2.249 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 1358992341 ISYHTXDZORJCAS-VNTMZGSJSA-N 466.586 2.195 30 10 JEEE C#CCN(CC#CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@H]1CCOC[C@H]1OC 1358996548 IVVLINDEJLOZBK-AZGAKELHSA-N 490.652 2.157 30 10 JEEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC2(CS(C)(=O)=O)CC2)CC1 1359038190 NACTXJSAFAQWNB-UHFFFAOYSA-N 471.627 2.054 30 10 JEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2cc(F)ccc2OC)CC1 1359055328 AQIVEQQKPICMDR-LJQANCHMSA-N 472.590 2.066 30 10 JEEE C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1359118141 QIEXVCVSBISPMD-UHFFFAOYSA-N 476.423 2.367 30 10 JEEE C=CCCCCn1c(N2CCC(C(=O)N3CCOCC3)CC2)nnc1[C@@]1(OCC)CCOC1 1359206750 ODUVUYPITJGXRB-XMMPIXPASA-N 461.607 2.362 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@](C)(N2CCOCC2)C1 1359293112 HNRQUFANFGZXJJ-UUOWRZLLSA-N 472.565 2.160 30 10 JEEE CC(C)[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1359647591 CXUZWGJMXPRMIU-VWLOTQADSA-N 474.569 2.044 30 10 JEEE C#CCN(C)c1nnc(CSc2ccc(C)cc2)n1CCS(=O)(=O)N1CCSCC1 1507619564 RARYFZIFVUYQDN-UHFFFAOYSA-N 465.670 2.327 30 10 JEEE C#CCN(c1nnc(-c2noc3c2COCC3)n1CCCCCSC)[C@H]1CCS(=O)(=O)C1 1507630907 JMGXQEFZUDWQFR-INIZCTEOSA-N 479.628 2.166 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1ccc(C(C)(C)O)cc1)[C@H]1CCS(=O)(=O)C1 1507631216 MUUHMKPUNQRWQC-NRFANRHFSA-N 465.579 2.243 30 10 JEEE C#CCSCCn1c(N2CCCN(c3nccs3)CC2)nnc1[C@@]1(OCC)CCOC1 1507758308 LOWZOYJSRSYBEV-OAQYLSRUSA-N 462.645 2.470 30 10 JEEE C=C(Br)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1507789836 NCWMQDBEGXMPEO-RYUDHWBXSA-N 468.333 2.292 30 10 JEEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 1507936761 KCUOUSLZAZPQAU-LJQANCHMSA-N 464.636 2.311 30 10 JEEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cccc(C(=O)NC)c1 1507978210 IIHGBUFTGZEBFF-UHFFFAOYSA-N 453.572 2.268 30 10 JEEE C=CCN(CCc1ccco1)c1nnc(C(=O)N2CCCC2)n1CC1CCS(=O)(=O)CC1 1508024720 KOZREWHXHQWWIP-UHFFFAOYSA-N 461.588 2.167 30 10 JEEE C=CCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1508048670 MBMCUEMZIPEQGM-SFHVURJKSA-N 470.574 2.176 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(Cc2c(CC)nn(C)c2Cl)CC1 1508130657 IQPKMNQRQCJTDR-UHFFFAOYSA-N 484.070 2.274 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCCN(C(=O)c2cccc(F)c2)CC1 1508136903 IUANLOYYGZSZMI-UHFFFAOYSA-N 498.584 2.433 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 1508142810 VHEFBXCJGRQJIA-ROUUACIJSA-N 483.635 2.472 30 10 JEEE C[C@H](CC#N)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@]1(O)CCN(C)C1 1509951844 IDIITDOCBRCCST-UZUQRXQVSA-N 461.611 2.198 30 10 JEEE CC[C@H](C)NC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cc(C)no2)CC1 1513199408 ANHHSVMRNCKJBB-SFHVURJKSA-N 492.584 2.110 30 10 JEEE CCN1CCN([C@@H](C)Cn2c(C(=O)Nc3ccccn3)nnc2N(C)Cc2ccc(C#N)cc2)CC1 1515898962 GUDUBEMEHPQNPW-FQEVSTJZSA-N 487.612 2.459 30 10 JEEE Cc1nsc(N2CCN(C(=O)[C@H]3COCCN3C(=O)OCc3ccccc3)CC2)c1C#N 1524103592 CCYFMTGZGYSOEW-LJQANCHMSA-N 455.540 2.009 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCCNc1ccccn1)[C@H]1CCS(=O)(=O)C1 1539212273 ONXKQRXYDDLMAT-SFHVURJKSA-N 454.556 2.370 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CCCC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1539224288 DXTCWDODNUTGJZ-NRFANRHFSA-N 457.600 2.097 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CN(CC(C)C)CCO1 1539361713 BUZNZFBIRFWRQX-LJQANCHMSA-N 463.586 2.008 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1Cc1ccccc1CN1CCCC1=O 1539416944 WAWAYLQQTXVYGJ-JOCHJYFZSA-N 451.571 2.429 30 10 JEEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)CC1CN(C(=O)OCc2ccccc2)C1 1539683288 MCWXVGJEDZGQBV-QGZVFWFLSA-N 476.603 2.169 30 10 JEEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C)C(=O)[C@H]1C 1539803078 DKNJESNLDVPRAX-CABCVRRESA-N 454.959 2.006 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](OCC2CC2)C1 1540864850 NBWVCLCBYQPEOZ-IBGZPJMESA-N 473.599 2.046 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@](C)(OC)CC1 1540871163 FXPACHSZVCDGSG-KOSHJBKYSA-N 492.621 2.284 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccc(CN3CCOCC3)c2)C1 1540882591 LDMIIRYYPJYVNF-QFIPXVFZSA-N 468.602 2.078 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCCN(C(=O)C(C)C)CC1 1540898259 DYGSTLOCCCNEKR-UHFFFAOYSA-N 475.615 2.249 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N(CC)Cc1nc(O)c2ccccc2n1 1540902836 RTNCHXGDOKQMSQ-MRXNPFEDSA-N 472.571 2.058 30 10 JEEE CC(C)NC(=O)c1nnc(N(C)C[C@H](C)C#N)n1C[C@H](C)N1CCN(c2ccccc2)CC1 1541103724 FRSNUDULOYOYMJ-UXHICEINSA-N 452.607 2.223 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2CC2(N(C)C)CCOCC2)c1 1587697875 ZPZOTXHIGDKLEW-UHFFFAOYSA-N 487.608 2.431 30 10 JEEE C#CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1587847032 BPOHZHWJFWNOFD-GOSISDBHSA-N 476.585 2.044 30 10 JEEE C#CCCCn1c(N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1587893568 FXVRFJLETBUMOO-YADARESESA-N 477.606 2.462 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCCN(C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1588040509 NWRLNFQQAFYLNX-GOSISDBHSA-N 465.023 2.351 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@](C)(OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1588064457 IKBXWNQQOFKCLO-RXVVDRJESA-N 463.629 2.076 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1Cc1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1588070348 ZDHNXKOIVGGTIY-LJQANCHMSA-N 480.550 2.009 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCSCc1ccccc1F 1588386427 OWMVKSWYQZZIPK-IBGZPJMESA-N 481.619 2.143 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2C[C@H]2CN(CC(C)C)CCO2)CC1 1588800205 ARJIYNOTYHFMMR-OAQYLSRUSA-N 452.603 2.066 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCCNC(=O)C2CCC2)CC1 1588877090 UYYSESNKOUBQCP-OYRHEFFESA-N 499.660 2.110 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc4cccnc34)n2CCNC(=O)C(C)C)CC1 1588908294 NNSPZALPJHLHOY-UHFFFAOYSA-N 473.581 2.231 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2C[C@@H](C)N(CC)CC)CC1 1588923788 MASFPFXNZTYBQP-GOSISDBHSA-N 490.612 2.290 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CC2(CC)CCOCC2)CC1 1588947852 XINMNTJLHBGQFN-UHFFFAOYSA-N 450.587 2.437 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCCNC(=O)OC(C)(C)C)CC1 1588968496 MMWQCTMFUXQEQL-GOSISDBHSA-N 460.579 2.010 30 10 JEEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1593696343 NTGVCETUPXPUTD-QHCPKHFHSA-N 466.546 2.004 30 10 JEEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1ccc(O)cc1 1594813193 QGLWZXCCPFENJI-NHCUHLMSSA-N 491.614 2.251 30 10 JEEE C=CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1595386741 AMPWYXSQLYDDJB-UHFFFAOYSA-N 465.455 2.400 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC[C@@H](COCC)C1 1595536834 GYGACRHVWWONMF-GOSISDBHSA-N 479.585 2.230 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccc3F)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1595738049 KSBGVPCFQVLAMQ-CCWVLBSLSA-N 466.517 2.316 30 10 JEEE CN(C)c1cccc(Oc2nnnn2[C@@H]2CO[C@H]3[C@H]2OC[C@H]3NC(=S)Nc2cccc(C#N)c2)c1 1616126208 FZGRAXXUBIJEMT-NCYKPQTJSA-N 492.565 2.097 30 10 JEEE N#Cc1ccccc1NC(=O)CCCC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1624004081 GEUQPERDBGHBRW-UHFFFAOYSA-N 454.552 2.341 30 10 JEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCCc3nc4c(s3)CCCC4)CC2)cc1 1633957015 IAMNSVIDQMGWTE-UHFFFAOYSA-N 459.597 2.152 30 10 JEEE COc1ccc([C@@H]2CCN(CC(=O)NCC(F)(F)F)C[C@@H]2NC(=O)C(F)(F)F)cc1F 1643732034 FNPBZPBRCWYIDL-AAEUAGOBSA-N 459.362 2.349 30 10 JEEE C#CCN(CC(=O)Nc1ccc(C)c(S(=O)(=O)N(CC)CC)c1)CC(=O)OC(C)(C)C 1654984288 LHOBMCKPIHWMMG-UHFFFAOYSA-N 451.589 2.241 30 10 JEEE COc1ccc(-c2noc(CN3CCN(S(=O)(=O)c4ccc(CC#N)cc4)CC3)n2)cc1 1661251014 FFCAPUDYBVRDKQ-UHFFFAOYSA-N 453.524 2.318 30 10 JEEE C#CCN(C)c1nnc(COc2ccc(C#N)cc2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1689973765 PAUJHLVAYUZPLM-UHFFFAOYSA-N 461.526 2.053 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCCOCC1CC1)[C@H]1CCS(=O)(=O)C1 1689981907 DIGHXWAJQKTSLI-KRWDZBQOSA-N 496.431 2.479 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1cccnc1OCCC)[C@H]1CCS(=O)(=O)C1 1689989505 GEVGECUGLUKXQZ-UXHICEINSA-N 473.599 2.031 30 10 JEEE C#CCN(c1nnc(COCC)n1C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1 1689996760 NWDMUCKNMIADAM-OALUTQOASA-N 495.646 2.088 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1689998542 OYNHUPILKXJTAC-ZGXWSNOMSA-N 464.632 2.248 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1CC1CCN(CCN(C)C)CC1 1690020051 XUEMJCZXSGGUIP-XMMPIXPASA-N 462.598 2.137 30 10 JEEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1690172692 LTLXCILGZKFFJP-QGZVFWFLSA-N 458.588 2.234 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccn2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1690243060 GXTCNHGGZNXOLZ-FXAWDEMLSA-N 460.604 2.182 30 10 JEEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1690299043 CCLQHJMNDMWOIS-IBGZPJMESA-N 469.590 2.208 30 10 JEEE C=CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CC1(N(C)C)CCOCC1 1690620369 ZGWZDABMXTZHIV-UHFFFAOYSA-N 467.574 2.344 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1690667207 VEDZRZHOZPQUPO-SFHVURJKSA-N 458.994 2.449 30 10 JEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](CNC(=O)c2ccccc2)C1 1690675320 WRLNTTMOGFWMPA-OAQYLSRUSA-N 490.612 2.088 30 10 JEEE C=CCOc1ccc(Cn2c(CN3CCCC3=O)nnc2N(C)C[C@@H]2CCN(C(C)=O)C2)cc1 1690681570 UDVULUYNCCENJV-NRFANRHFSA-N 466.586 2.318 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CCCN(C(C)=O)CC1 1690718062 ZRZPRRBAPWUNEJ-UHFFFAOYSA-N 451.980 2.258 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CCC2(CC1)COC(=O)N2 1690720223 BVVMHSGHAMBHLQ-UHFFFAOYSA-N 465.963 2.278 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1690721096 XIMWCGXJADRSEB-LJQANCHMSA-N 465.583 2.220 30 10 JEEE CC[C@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC(C)(C)N1CCOCC1 1694124974 BYMSAYFYTDRAPD-RBUKOAKNSA-N 467.622 2.279 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1csc(CC)n1)[C@@H]1CCS(=O)(=O)C1 1705567146 VAQOWALSOZRXEW-QGZVFWFLSA-N 456.597 2.342 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@H]1CSCCS1)[C@H]1CCS(=O)(=O)C1 1705569835 HKNAWSHMBVFFOP-OALUTQOASA-N 492.692 2.353 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(CC)CCOCC1 1705576932 UGTJIGVZKHFTSX-UHFFFAOYSA-N 469.611 2.475 30 10 JEEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1705662810 LZILPUWYMNJKNV-LJQANCHMSA-N 464.599 2.028 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC(=O)NC2CCCC2)CC1 1705737398 QCXPPIHTDOTGHI-HXUWFJFHSA-N 493.674 2.438 30 10 JEEE C=C(Cl)Cn1c(N2CCC[C@H](N3CCCS3(=O)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1705760960 WPRVOHGOZRNJEE-FXAWDEMLSA-N 474.027 2.076 30 10 JEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccnc2OCC(F)F)CC1 1705763100 OJXBJEVHRGMCCX-CQSZACIVSA-N 456.519 2.132 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 1705898541 OWMBNYXCEHOEKQ-HNNXBMFYSA-N 472.937 2.380 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCC(=O)NC(C)C)C1 1705921936 CCNIPDPSBCRTBR-MRXNPFEDSA-N 451.531 2.290 30 10 JEEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cc(Cl)ccn1 1705946539 KENJUATVBPSQRY-KRWDZBQOSA-N 487.051 2.215 30 10 JEEE CC(C)COC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)O)CC1 1706522947 GLJZQICVKGWQQC-UHFFFAOYSA-N 456.547 2.414 30 10 JEEE C[C@@](O)(Cn1c(-c2ccc(C#N)cc2)nnc1N(CCS(C)(=O)=O)C1CC1)c1ccco1 1706897530 CLSXWDRACCIJAX-JOCHJYFZSA-N 455.540 2.331 30 10 JEEE COCC1(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)C[C@@H]2CCN(C(C)=O)C2)CCOCC1 1712205225 AYRLABBQAWJBJF-QFIPXVFZSA-N 496.612 2.477 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C(C)(F)F)cc1 1722297360 ZBZFIUYWZZWWIN-QAPCUYQASA-N 467.542 2.229 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H](c1ccccc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1722368978 UVIUOFKSVQQCAY-BHIFYINESA-N 471.627 2.102 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(OCC)cc3)n2C[C@]2(O)CCSC2)CC1 1722431995 UQOGYFMEWIPVFS-NTKDMRAZSA-N 471.627 2.440 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](C)COCc2ccccc2)CC1 1722445916 FHDVVUZHHCZHQJ-HXUWFJFHSA-N 475.597 2.497 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CC[S@](=O)C(C)(C)C)CC1 1722448231 WSMBQTHEVBLMFQ-PBTUJPDXSA-N 499.637 2.304 30 10 JEEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1722454296 BKFYZTRWKWNZTL-UHFFFAOYSA-N 469.659 2.175 30 10 JEEE C#CCSCCn1c(N2CCN(CCOC)C(=O)C2)nnc1C1(c2ccccc2)CCC1 1722464532 JFHGXMUJRWSCIZ-UHFFFAOYSA-N 453.612 2.410 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN(C)C(=O)OC(C)(C)C 1722473296 CHWJRELCRRIUIR-IIBYNOLFSA-N 451.593 2.039 30 10 JEEE C=C(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1722519406 FHNITUGIXGWLRF-UHFFFAOYSA-N 493.568 2.368 30 10 JEEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 1722527457 JVVFKICFAOLJDD-UHFFFAOYSA-N 456.595 2.249 30 10 JEEE C=CCN(c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCNS(C)(=O)=O)C1CC1 1722649813 YSBBUIVETQFCJY-KRWDZBQOSA-N 482.651 2.487 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)NCc1ccco1 1722664313 WGRCHEZUOFVMTQ-INIZCTEOSA-N 475.596 2.344 30 10 JEEE C[C@H](CC#N)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCC(=O)N1CCOCC1 1723778117 CWEQEZCOLNVTGB-GOSISDBHSA-N 489.621 2.380 30 10 JEEE CNC(=O)CCCN(C)c1nnc(-c2ccc(C#N)cc2)n1CCCN1C[C@H](C)O[C@@H](C)C1 1729698122 BWOCVFUDCGJNQX-OALUTQOASA-N 453.591 2.278 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H](C(C)C)N1CCOCC1 1740540306 VHYPRRUNFMMRCK-DENIHFKCSA-N 488.658 2.010 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CC2(N(C)C)CCCC2)c1 1740561962 HRXUBQKRNJIBBG-UHFFFAOYSA-N 465.602 2.347 30 10 JEEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(CN2CCC(O)CC2)cc1 1740600132 ITOXKWUSXZZCOY-RUZDIDTESA-N 453.587 2.005 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1C[C@@H](c1c(F)cccc1F)N(C)C)[C@H]1CCS(=O)(=O)C1 1740623748 AFNULSNMFIGAOM-PXNSSMCTSA-N 477.581 2.438 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC[C@H](OCC)C1CCCC1)[C@H]1CCS(=O)(=O)C1 1740628544 YRMGYTRBNIAQSG-HKBOAZHASA-N 464.632 2.394 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(C)n2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1740652765 MDDWZTIDJZVDCH-UHFFFAOYSA-N 459.554 2.366 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(F)ccc2Br)n1CCCS(C)(=O)=O 1740681165 YHJUKOPYTJIWQK-UHFFFAOYSA-N 473.368 2.367 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCCCN1CCCCC1 1740731399 AWVXZAZWBQMHPI-XUZZJYLKSA-N 492.690 2.259 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1740752073 SGGKRXZUTOEIHU-MHYXUVESSA-N 458.607 2.235 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(N(C)C(=O)OCC)CC1 1740756030 DYJOBOCUWVZMIJ-POAQFYNOSA-N 460.579 2.268 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2cccc(C)c2)nnc1N1CCN(CC(=O)NCC)CC1 1740762785 GLAIJPWRSUHSBQ-OFVILXPXSA-N 482.629 2.405 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCS(=O)(=O)CC 1740774093 LPYIHYODUCYJLN-QGZVFWFLSA-N 471.624 2.424 30 10 JEEE C=CCCOCCn1c(Cn2ccc3ccccc32)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1740886877 VVRNDRMWSNDDTO-IBGZPJMESA-N 472.615 2.344 30 10 JEEE C=CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1C[C@@]1(OC)CCOC1 1740938915 OCHZAMFROFUGBU-IBGZPJMESA-N 454.369 2.490 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@@H](CNC(C)=O)C1 1740956702 OWHZAPSTUYHMTA-INIZCTEOSA-N 460.966 2.262 30 10 JEEE CCCC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1745123628 BIHDVEUNHRRPIG-NHCUHLMSSA-N 499.641 2.126 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2CC(C)(C)CN(C)C)c1 1748695185 ZNFWGQOSBUDYNR-UHFFFAOYSA-N 465.602 2.045 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCN(CCC)C1)[C@@H]1CCS(=O)(=O)C1 1748810186 STZIJQKVGDXUDP-IEBWSBKVSA-N 477.034 2.352 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1cccc(C(OC)OC)c1)[C@H]1CCS(=O)(=O)C1 1748815646 SMGVFSZEADEOLH-SFTDATJTSA-N 488.610 2.486 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1OCC(F)(F)F 1748846318 FZLRKSJCQIWTMJ-QGZVFWFLSA-N 466.485 2.242 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)N1CCc2ccccc21 1749575564 UIAWAKUCQYLEPL-DENIHFKCSA-N 486.642 2.241 30 10 JEEE CC(C)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1750902612 ABDPRKIUEFXOJZ-DVECYGJZSA-N 454.575 2.189 30 10 JEEE Cc1nc(C)c(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCO[C@@H](C#N)C2)s1 1751758243 FQQZWXGSAMTQKO-INIZCTEOSA-N 458.569 2.199 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1Cc1cnccc1OC)[C@H]1CCS(=O)(=O)C1 1760180484 GIDHGOYRLQIUGK-IBGZPJMESA-N 467.551 2.032 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)nc2)n1Cc1cccc(S(=O)(=O)NC)c1 1760198311 DTHSFBJOONLTKX-UHFFFAOYSA-N 454.943 2.023 30 10 JEEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](C)N1CCC(C)CC1 1760248018 YAHORWQCZUDEPB-HXUWFJFHSA-N 487.674 2.445 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H](OC)C2CC2)CC1 1760266622 GLUNJKGHIOBQKP-HXUWFJFHSA-N 452.515 2.244 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCc2ccc(NC(C)=O)cc2)CC1 1760269685 NTCQHLVZGZXXTF-QFIPXVFZSA-N 478.597 2.339 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCOCc2ccccc2)CC1 1760271038 JJAWNTTUUMKZTE-UHFFFAOYSA-N 475.597 2.322 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cc(Cl)ccn1 1760374044 HMGBGYPWPGJODW-HNNXBMFYSA-N 461.375 2.048 30 10 JEEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 1760432322 HLRCQOFVWJQXFF-SJORKVTESA-N 454.641 2.233 30 10 JEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(Cc2ccccc2)CC1 1760450345 JFJMNGOLQVQXAS-JOCHJYFZSA-N 473.643 2.485 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN2C(=O)OC[C@H]2C1 1760548621 LYMWZJZEXJNASA-RBUKOAKNSA-N 489.598 2.277 30 10 JEEE CC(C)N1CCC(O)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(S(C)(=O)=O)CC2)CC1 1761181912 CRWHGOSUOWWEFC-UHFFFAOYSA-N 486.642 2.065 30 10 JEEE CC1CCN([C@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CC(=O)N2CCOCC2)CC1 1762948033 GUOHPUWDKMBPHJ-HXUWFJFHSA-N 465.602 2.232 30 10 JEEE CCOC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1767328195 CJGXNVBNYGLAHY-UHFFFAOYSA-N 465.602 2.376 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1772659846 FEVAZQDHECJFIY-HNNXBMFYSA-N 451.980 2.256 30 10 JEEE CC(C)C[C@@H](NC(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2cccc(C#N)c2)cc1)C(=O)O 1858977530 OPJHDNSVWXIBSY-HXUWFJFHSA-N 486.550 2.018 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCNC(C)=O)[C@H]2c2ccc(C(=O)O)cc2)cc1OC 1862572952 QBDCBGGPPYGCDT-FQEVSTJZSA-N 468.462 2.116 30 10 JEEE Cc1cc(C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)Nc2ccccc2C#N)cc(S(N)(=O)=O)c1 1867237817 PDXAVUBKWFHZQQ-JOCHJYFZSA-N 478.530 2.200 30 10 JEEE C=CCN(CC=C)c1nc(NC(=O)COc2cccc(C)c2C)n([C@H]2CCS(=O)(=O)C2)n1 1870005013 SUXSZZVVAXZUKX-SFHVURJKSA-N 459.572 2.450 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCc2ccco2)cn1CCCN1CCOCC1 1870536964 HQQRKJUNLKZRHL-UHFFFAOYSA-N 484.597 2.033 30 10 JEEE C#CCOc1cn(CCOc2ccc(OC)cc2)c(CNc2ccc(S(N)(=O)=O)cc2)cc1=O 1871009150 GYDWLIIOPPXDNM-UHFFFAOYSA-N 483.546 2.207 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](O)CN1C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C 2067396833 QHDUHORGZMZDED-YESZJQIVSA-N 454.568 2.450 30 10 JEEE Cc1c(B2OC(C)(C)C(C)(C)O2)csc1C(=O)NCC1(O)CN(C(=O)OC(C)(C)C)C1 2255597857 LHDDEALSSNZBRX-UHFFFAOYSA-N 452.382 2.067 30 10 JEEE CCn1cc(C(=O)N[C@@H]2CC[C@H]2NC(=O)OCc2ccccc2)nc1B1OC(C)(C)C(C)(C)O1 2255654038 RBKRCPNUHZAPDW-QZTJIDSGSA-N 468.363 2.389 30 10 JEEE CC(C)(C)OC(=O)N1CCS(=O)(=NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)CC1 2255713059 VVGXYXYZJWYSTQ-UHFFFAOYSA-N 453.370 2.173 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@]1(C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2256620988 PCMGAMXJWCJPOF-MPBGBICISA-N 452.386 2.281 30 10 JEEE Cc1nc(C(=O)N2CCC[C@H](NC(=O)C(F)(F)F)[C@H]2C)c(B2OC(C)(C)C(C)(C)O2)s1 2267168740 FGASZWWJSMIVPS-PWSUYJOCSA-N 461.315 2.422 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)[C@](C)(CO)C1 2267286837 RBVUKZRKDVQNBX-QFIPXVFZSA-N 450.341 2.023 30 10 JEEE CO[C@@H]1C[C@H](CNC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)N(C(=O)OC(C)(C)C)C1 2267536766 MADCARVHWLOZTC-ZIAGYGMSSA-N 467.397 2.197 30 10 JEEE CC1(CNC(=O)OC(C)(C)C)CN(S(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2267708552 LWILFPJQLJKXKE-UHFFFAOYSA-N 487.453 2.119 30 10 JEEE Cc1cc(CNS(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)ccc1B1OC(C)(C)C(C)(C)O1 2273874523 RQQVTQPWBDBQOB-UHFFFAOYSA-N 498.410 2.400 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NCc2nc(O)cc(CNC(=O)OC(C)(C)C)n2)C1 2281228109 KXJSDLQRSRLCOJ-UHFFFAOYSA-N 475.546 2.130 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2F)[C@@H](O)C1 2281761086 BHYGVUGTEKMKDL-MSOLQXFVSA-N 464.343 2.225 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)N=c1[nH]nc(CNC(=O)OC(C)(C)C)o1 2282139978 YXOCCMQGIBBLIW-UHFFFAOYSA-N 458.324 2.376 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](F)C[C@@H](NS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282291034 XZZJHIFPQFFFTA-JKSUJKDBSA-N 485.387 2.007 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(F)c(B3OC(C)(C)C(C)(C)O3)c2)C[C@H](O)C1 2282477446 PXLIOERCNAIWKK-INIZCTEOSA-N 464.343 2.179 30 10 JEEE CCn1cc(C(=O)NCC2(F)CC(NC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2282537392 PXHXUFXDBYQKHR-UHFFFAOYSA-N 466.363 2.327 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 2282539587 WPDNJAOBYCBXKW-MUJYYYPQSA-N 460.384 2.380 30 10 JEEE Cn1cc(C(=O)N[C@@H]2CC23CCN(C(=O)OC(C)(C)C)CC3)nc1B1OC(C)(C)C(C)(C)O1 2282550309 XMDCVDXUNCEJJN-MRXNPFEDSA-N 460.384 2.239 30 10 JEEE CC(C)(C)OC(=O)N[C@@](C)(CO)CNC(=O)c1c(F)cc(B2OC(C)(C)C(C)(C)O2)cc1F 2282571899 GCRWQQKPUUBUCH-JOCHJYFZSA-N 470.322 2.270 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CCOC[C@@H]2OCc2ccccc2)n1 2282593300 OUPZKJXPYLQMFL-PMACEKPBSA-N 455.364 2.306 30 10 JEEE Cn1nc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C3(CC3)C2)cc1B1OC(C)(C)C(C)(C)O1 2282616124 XFMBBLHGUMURIM-OAHLLOKOSA-N 460.384 2.381 30 10 JEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)[C@@H]1NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2282629110 SAJZYXOVWHLBJQ-QLPKVWCKSA-N 460.384 2.397 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2OCCN(C(=O)c3cccc(B4OC(C)(C)C(C)(C)O4)c3)[C@@H]2C1 2282664689 GRUSKWNMIVUXFC-RTBURBONSA-N 458.364 2.446 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1O 2282672979 PJUFNWCPVHRFPI-RTBURBONSA-N 460.380 2.394 30 10 JEEE C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2cc(B3OC(C)(C)C(C)(C)O3)ccc2C1 2283970985 IAVKYORWGWGCCR-BEFAXECRSA-N 460.380 2.145 30 10 JEEE C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCc1c(F)cccc1B1OC(C)(C)C(C)(C)O1 2289648337 WVLFXUCDBGLPTM-KBXCAEBGSA-N 466.359 2.058 30 10 JEEE C[C@H]1C[C@H](NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)CCN(C(=O)OC(C)(C)C)C1 2362352998 IDXQQFLRRFQVMF-JKSUJKDBSA-N 462.400 2.485 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1[C@H]2CCC[C@@H]1CN(C(=O)OC(C)(C)C)C2 2362456085 MWPBPWWEDXIQMC-IYBDPMFKSA-N 460.384 2.333 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1C[C@H]2CC[C@H]1N(C(=O)OC(C)(C)C)C2 2362463937 BCKNVXNUOYBAQH-OWCLPIDISA-N 460.384 2.237 30 10 JEEE Cc1cc(C)nc(N/C(=N\C(=S)NCCCN2CCOCC2)NCCc2ccc(F)cc2)n1 14156069 OLUYTTDMRDEPEG-UHFFFAOYSA-N 473.622 2.430 30 10 JEEE C#CCN(C(=O)c1cc(Br)ccc1I)[C@H]1CCS(=O)(=O)C1 221946520 CZTKTTCNGFVPLO-NSHDSACASA-N 482.137 2.316 30 10 JEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC3CCCC3)c2)c(=O)n1C[C@@H]1CCCO1 603990304 YCKTWSMENIWFAQ-NRFANRHFSA-N 479.602 2.215 30 10 JEEE COCCSc1nnc(NC(=O)CSc2n[nH]c(NN=C(C)c3ccccn3)n2)s1 1084387893 CJHRATZCOOGPGL-UHFFFAOYSA-N 465.590 2.357 30 10 JEEE C#CCNC(=O)CN1CCCN(C(=O)c2ccc(C)c(NC(=O)c3ccccc3F)c2)CC1 1136632549 BRLRKSUTFJFJBM-UHFFFAOYSA-N 450.514 2.284 30 10 JEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1C[C@]1(O)CCSC1)[C@@H]1CCS(=O)(=O)C1 1286384506 RAUNMMPQNYVMIV-YLJYHZDGSA-N 467.016 2.093 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H](C(C)C)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1286387912 WLFPVVNHICAOFC-PZJWPPBQSA-N 456.616 2.087 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC[C@@H](OC)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1286397385 YZVKPZNMDPUIBS-OWCLPIDISA-N 464.510 2.114 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2C[C@H](N2CCOCC2)C(F)(F)F)CC1 1286492716 IJLANKBZJPFTLX-SFHVURJKSA-N 484.567 2.096 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCC(=O)N2)n1CC1(C(N)=O)CCCC1 1286740410 LNYAVYBFZLWAPA-LJQANCHMSA-N 452.559 2.476 30 10 JEEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCC[C@@H](OCCOC)C1 1286785231 HVDLVXWANBOLIX-GOSISDBHSA-N 452.559 2.371 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC(NC(=O)NC2CCCCC2)CC1 1286787442 GBJCQHPKBNKIJQ-SFHVURJKSA-N 473.622 2.075 30 10 JEEE C[C@@H](N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CC2)CC1)C(F)(F)F 1288750878 COMAKPXZEHKIOP-OAHLLOKOSA-N 482.532 2.467 30 10 JEEE C=CC[C@H](NC(=O)CN1CCN(Cc2ccc(Br)cc2F)CC1)C(=O)OCC 1296236112 CYSQVWXJYSAQGN-SFHVURJKSA-N 456.356 2.330 30 10 JEEE C=CCN1CC[C@@H](N(C)C(=O)CC[C@H]2NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)C1=O 1297062531 QRDYJHKLHZJKGA-HZPDHXFCSA-N 453.326 2.444 30 10 JEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(CCOC)[C@H](CC)C1 1300391023 DDIQUFFKYNOSGR-HXUWFJFHSA-N 459.616 2.309 30 10 JEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1300391216 JNYHJERZYQBBLV-UHFFFAOYSA-N 481.626 2.208 30 10 JEEE C#CCCCn1c(Cc2ccccc2F)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1300413549 XSJAJNLLTWCECM-UHFFFAOYSA-N 465.533 2.479 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1CC1(CCOC)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1300495087 CMOOZTYVIABUDZ-VQTJNVASSA-N 464.632 2.396 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCOC2)n1CCCN1CCN(c2ccncc2)CC1 1300580707 FWAHKBGMDDVSJX-HSZRJFAPSA-N 461.614 2.242 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1SCCc2ccccc21 1300654437 XDOCWSZWGLTTBN-VQIMIIECSA-N 463.629 2.005 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(OC)cc2OC)CC1 1300707724 IAPHZKQASFITSJ-UHFFFAOYSA-N 480.594 2.090 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(OC)c(OCC)c2)CC1 1300725566 ILIGWWIRUDLTJE-HXUWFJFHSA-N 467.570 2.203 30 10 JEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N(CC)Cc1nc(O)c2sccc2n1 1300756543 PLBXJPZYSGDMHT-CQSZACIVSA-N 457.585 2.332 30 10 JEEE C=CCC(C)(C)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1301141541 ORBVAVMGGJUZBH-LJQANCHMSA-N 496.612 2.492 30 10 JEEE C=CC[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1)c1ccccc1 1301164211 QLFPUYMKCAHSGF-ICSRJNTNSA-N 474.631 2.246 30 10 JEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(Oc2ncccc2F)CC1 1301257905 GEKXMQBWTSEUNJ-QGZVFWFLSA-N 479.578 2.355 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nc2c(s1)C[C@@H](C)CC2 1301423674 BEJQBKSYXSHWPU-HOTGVXAUSA-N 465.645 2.449 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1301520750 NRKFVXCQLZOBRY-SFHLNBCPSA-N 487.649 2.081 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3ccccn3)n2CCCN2CCC[C@H]2C(=O)N(C)C)C1 1301553804 SXIDYQFCMUYIPV-FPOVZHCZSA-N 453.591 2.064 30 10 JEEE C=CCSCCn1c([C@H]2CCCOC2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1301612815 PMMDTJXKNIIWOA-FQEVSTJZSA-N 462.664 2.226 30 10 JEEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)C2CC2)C[C@@H](C(F)(F)F)O1 1305204547 AYTMLXDFCPBABQ-KDOFPFPSSA-N 478.475 2.411 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1CCCOC1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1358963574 KIURJJUDESATSJ-RBUKOAKNSA-N 450.605 2.148 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1359021014 YSSNWOAVWUHTHE-MRXNPFEDSA-N 496.431 2.075 30 10 JEEE C=C(Br)Cn1c(Cc2cccnc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1359085160 DLBUNICZKGGZIL-UHFFFAOYSA-N 469.409 2.033 30 10 JEEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC2(CC1)COC(=O)N2 1359128127 KNPPJJRTHVGROA-UHFFFAOYSA-N 475.571 2.020 30 10 JEEE C=CCn1c(Cc2ccccn2)nnc1N1C[C@@H](C(=O)OC)[C@H](CNC(=O)OC(C)(C)C)C1 1359288338 YXLCQTVAKUMCMT-SJLPKXTDSA-N 456.547 2.200 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1359293506 RPJUWYWUDLIIQP-SJORKVTESA-N 479.578 2.263 30 10 JEEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1359301759 KHRIXKFJQVOLIM-QMHKHESXSA-N 461.513 2.224 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2C[C@@H](C)O[C@]3(CCOC3)C2)cc1 1359306978 XDSVEKLPAKROPT-HOYKHHGWSA-N 455.559 2.414 30 10 JEEE C[C@H](C#N)CN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1(CS(C)(=O)=O)CC1 1359466595 DYLQGNMXVSTZMG-OAHLLOKOSA-N 479.006 2.282 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CCCN(C)C(C)C 1360237489 GYJPINRLCCAHAN-UHFFFAOYSA-N 470.597 2.484 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1ccc(N2CCCCC2)nc1 1360693360 HKFRLVANLYCRKG-FDDCHVKYSA-N 486.646 2.452 30 10 JEEE CCOC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2([S@@](C)=O)CC2)C1 1502524575 BJUQPUYNXINARK-ZUQCGGBESA-N 456.572 2.443 30 10 JEEE CNC(=O)CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)Cc1cccc(C#N)c1 1503807531 CWKDVHFNRJKAHM-UHFFFAOYSA-N 480.598 2.191 30 10 JEEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(N2CCC(CO)CC2)cc1 1507622212 CFUYRNMYDBXGTF-GMAHTHKFSA-N 453.587 2.329 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1cccc(NC(=O)[C@H]2CCCO2)c1)[C@H]1CCS(=O)(=O)C1 1507623722 WFBLBPOGSYIZKL-LEWJYISDSA-N 499.637 2.368 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@](C)(O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1507631197 MSAGQZNYAYGAHU-RDPSFJRHSA-N 465.579 2.183 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1CC[C@H](C(F)F)N1CCOCC1 1507668164 VPBXCHMLUAZJHD-HXUWFJFHSA-N 495.534 2.413 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@]2(O)CCO[C@H]2C)CC1 1507739628 DUFCCKIQFCXVEJ-BXKMTCNYSA-N 487.988 2.016 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCc2ccn(C)n2)CC1 1507742070 AJZBIEWZMQVSKS-UHFFFAOYSA-N 465.989 2.464 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccc2F)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1507794236 HAGZMGJGTXCDBI-GHTZIAJQSA-N 484.576 2.239 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2nccs2)C1 1507915617 DNZWADFHYNJNGS-DLBZAZTESA-N 496.659 2.248 30 10 JEEE C=CCNC(=O)Cn1c(N2CCN3CCCC[C@@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1508097042 GIGCWNVYNFSFPQ-CEXWTWQISA-N 473.622 2.026 30 10 JEEE COc1ccncc1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1518546924 CISLJZMJHJHMFC-INIZCTEOSA-N 470.555 2.050 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 1524836391 WGEFDTFQXNOEBF-XLIONFOSSA-N 451.545 2.401 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC[C@@H](C(F)F)N1CCOCC1 1538977154 SPTSCOKJZBHGIK-SPEDKVCISA-N 455.550 2.133 30 10 JEEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 1539521059 WZPBQRRSSZUYCA-OAQYLSRUSA-N 488.683 2.461 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCCCSC 1539557151 MCWKMRBKCFRZOK-FXAWDEMLSA-N 455.650 2.136 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(Cn2nc(C)cc2C)n1C[C@H](N1CCOCC1)C(F)(F)F 1539562716 BOPVHCUXIBCXOM-GHTZIAJQSA-N 465.524 2.395 30 10 JEEE C=CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCCN(S(C)(=O)=O)CC1 1539999592 NQXYTOXMNDDQMA-UHFFFAOYSA-N 457.560 2.032 30 10 JEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CCC(C)CC2)CC1 1540004778 GNSGTKLFUHZXNB-CBNMVNINSA-N 480.679 2.278 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H](COC)OC)C1 1540884177 LPTTZYFAIDWIAQ-JKSUJKDBSA-N 454.369 2.489 30 10 JEEE CNC(=O)[C@@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCCCCC2=O)C1 1554405118 BVLYYSPQVAQKGA-SANMLTNESA-N 493.612 2.484 30 10 JEEE CC(C)CNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 1567507399 FAZFIRHLHNPVEJ-OAQYLSRUSA-N 454.552 2.418 30 10 JEEE C#CCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1587718645 LGHMSBHVBUFACJ-KRWDZBQOSA-N 460.560 2.422 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1CCC1(O)CCOCC1 1588581046 DRVXIMAMMWRTOF-UHFFFAOYSA-N 466.380 2.064 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(C)o3)n2CCNC(=O)Cc2cccc(F)c2)CC1 1588769861 ZZGKSXPIOFFAOK-UHFFFAOYSA-N 450.518 2.100 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)NC(C)(C)C)CC1 1588907739 FJFNRVGFNDQABY-UHFFFAOYSA-N 461.570 2.087 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(=O)Nc2c(C)cccc2C)CC1 1594096486 BTGZCCSJEYUANX-IBGZPJMESA-N 488.614 2.023 30 10 JEEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(c2ncccc2F)CC1 1594680315 RKCDITHWCDQBQG-MRXNPFEDSA-N 451.572 2.105 30 10 JEEE C=CCn1c(C(=O)NC(CC)CC)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 1595314345 SRJBLSFMISKFNI-UHFFFAOYSA-N 460.604 2.284 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCO[C@@H](c2nnc(C(C)C)o2)C1 1595506740 LECZIPVDSNKJCN-GOSISDBHSA-N 467.530 2.340 30 10 JEEE C=C[C@@H]1OCC[C@H]1NC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1 1658029522 XMMQNHLCNQTFCT-NQIIRXRSSA-N 464.588 2.163 30 10 JEEE C#CCCCCn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1689893132 UYTFOWPYGUTXOH-YPAWHYETSA-N 456.635 2.212 30 10 JEEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1CCN1CCN(Cc2ccccc2)CC1 1689973377 CGAOGXUPHMHBQB-UHFFFAOYSA-N 477.638 2.157 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1CCc1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1689985733 ALQSLGDLOCFFQI-LJQANCHMSA-N 451.552 2.218 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1CCC1CCN(CC)CC1)[C@H]1CCS(=O)(=O)C1 1689986312 NCTGVWOZYPHPMF-FQEVSTJZSA-N 456.616 2.089 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1CC1(N(C)C)CCC1)[C@@H]1CCS(=O)(=O)C1 1689996630 LCMZCBZEWQDXOQ-HXUWFJFHSA-N 471.627 2.277 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CCc1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1689996893 QKAFINYOEGHTPE-FQEVSTJZSA-N 494.577 2.203 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1690319992 GBPWYFLFZABESY-IPMKNSEASA-N 486.621 2.321 30 10 JEEE C=CCN(c1nnc([C@H](C)Oc2ccccc2F)n1C[C@]1(O)CCS(=O)(=O)C1)C1CC1 1690537787 SWHYEOZJGDRVDP-YCRPNKLZSA-N 450.536 2.262 30 10 JEEE C=CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H]1CCCS(=O)(=O)C1 1690620168 SIRKULVHWGADHN-MRXNPFEDSA-N 472.571 2.058 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cn2ccc3ccccc32)nnc1N1CCC(CNC(C)=O)CC1 1690727222 XIRYRTFLVFQMEY-UHFFFAOYSA-N 484.626 2.234 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1690727290 ZTCDCIOHLSEQFT-WMZHIEFXSA-N 460.600 2.048 30 10 JEEE C=CCSCCn1c(COc2ccc(C)cc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1690750474 KZSPSFHFAWACHU-UHFFFAOYSA-N 498.653 2.356 30 10 JEEE CC[C@@H](C)NC(=O)c1cccc(Cn2c(CN3CCCC3=O)nnc2N2CC[C@@](F)(C#N)C2)c1 1694263118 CPLMSFKWOSOHDL-MZNJEOGPSA-N 467.549 2.419 30 10 JEEE COc1ccccc1SCc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1CCCN1CCCO 1697627677 CZNOFFUUYNZDTK-MOPGFXCFSA-N 472.615 2.155 30 10 JEEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCCN1CCN(CC)CC1 1705549676 DTQGLWDZGPUCSH-UHFFFAOYSA-N 476.629 2.162 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CC[C@H]1C[C@H](F)C1)[C@H]1CCS(=O)(=O)C1 1705568677 SPXXIQBOOLTZKI-UFYCRDLUSA-N 471.558 2.494 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CCC[C@H](O)C1)[C@@H]1CCS(=O)(=O)C1 1705571647 DWCGQRRJHQETID-YMQHIKHWSA-N 478.659 2.375 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(-c2n[nH]c(C)n2)cc1 1705572679 KBQARGBRIZFSEO-UHFFFAOYSA-N 451.494 2.140 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(COCC(F)(F)F)c1 1705582815 KDJRSILJHWKBIB-LJQANCHMSA-N 480.512 2.380 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnn(C)c2)n1CC1(CS(C)(=O)=O)CC1 1705625800 XFCRVDTUKSJKMS-UHFFFAOYSA-N 456.547 2.282 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2CCC(=O)N2CCCCC2)CC1 1705642934 MVNSBOSNRXHVJL-UHFFFAOYSA-N 454.550 2.154 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2C[C@@H](c2ccc(C)o2)N2CCOCC2)CC1 1705648013 NJOFTKAQOFJJNN-QFIPXVFZSA-N 482.629 2.417 30 10 JEEE C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)CCC 1705687289 CMHRNJCCXAWVQB-DZGCQCFKSA-N 464.430 2.392 30 10 JEEE C=C(Br)Cn1c(N2CC[C@@]3(CCS(=O)(=O)C3)C2)nnc1[C@]1(OC(C)C)CCOC1 1705692280 FFLTZXOFFJXOHU-MOPGFXCFSA-N 489.436 2.242 30 10 JEEE C=CCC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1705788347 XNDWZCIXHFRHDA-UHFFFAOYSA-N 461.570 2.346 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOC)[C@@H](CC)C1 1705792042 LFJZKCXNCCZXGK-OALUTQOASA-N 453.653 2.330 30 10 JEEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1705805971 UAKPNOVTWJIWCC-OALUTQOASA-N 464.636 2.119 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1705895388 FGDIOHZQWNEZPQ-MRXNPFEDSA-N 482.404 2.023 30 10 JEEE C=CCNC(=O)Cn1c(N2CCO[C@H](c3cccc(Cl)c3)C2)nnc1[C@@]1(OCC)CCOC1 1705908579 DIXHUWPUZXYVIP-WMZHIEFXSA-N 475.977 2.464 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC(C(=O)c3ccc(F)cc3)CC2)nnc1[C@@]1(OCC)CCOC1 1705908723 UUOZUGIGMDEHJJ-RUZDIDTESA-N 485.560 2.471 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2C[C@@H](C)[C@@H](C)C2)cc1 1705912076 YIFIPTVXSLVQPY-UEXGIBASSA-N 475.615 2.316 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccnc3)n2C[C@@H](N2CCOCC2)C(F)(F)F)C1 1705918170 DMAJVJWPNBYQJW-QZTJIDSGSA-N 452.481 2.385 30 10 JEEE CCCn1nc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@](C)(O)CCOC)c2ccccc2c1=O 1709805754 GZZQVVBHRRGSEK-RPWUZVMVSA-N 483.548 2.294 30 10 JEEE N#Cc1ccc(OCc2nnc(N3CCC(CC(N)=O)CC3)n2CCC(=O)N2CCCCC2)cc1 1712880386 HKDYNWJKSGUSLZ-UHFFFAOYSA-N 479.585 2.223 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1conc1COC 1722292638 WRLANJFXZOFZRW-CRAIPNDOSA-N 460.535 2.227 30 10 JEEE C#CCCCn1c([C@@H]2CCCCO2)nnc1N1C[C@@H]2[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1722333804 OHOFNJHKOQLFSW-YDZRNGNQSA-N 493.630 2.060 30 10 JEEE C#CCN(c1nnc(-c2cccc3cccnc23)n1CCCCCO)[C@@H]1CCS(=O)(=O)C1 1722364269 YONXREBTCWCJKX-LJQANCHMSA-N 453.568 2.283 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Br)n1C[C@@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1722364430 ZSVPHSNOVWCKBV-HUUCEWRRSA-N 467.389 2.369 30 10 JEEE C#CCN(c1nnc(CCOc2ccccc2)n1CCN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1722372381 VJUKVVQRMYTODL-OAQYLSRUSA-N 471.627 2.012 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H](c2cccc(F)c2)N(C)C)CC1 1722441106 PCSOVQRVYAIYKP-NRFANRHFSA-N 495.628 2.467 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(N(C)C)nc2)CC1 1722445443 QFXZJNDYIICCGM-UHFFFAOYSA-N 468.565 2.292 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H](C)N(C)C2CC2)CC1 1722448735 GJPKINBPYXTUTH-GOSISDBHSA-N 452.578 2.457 30 10 JEEE C=CC1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCS(=O)(=O)CC)CC1 1722576435 OKJMSSHZEKGENO-UHFFFAOYSA-N 452.602 2.186 30 10 JEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(N2CCCCC2)CC1 1722628936 CXPPWVYKGUNNFK-LJQANCHMSA-N 451.637 2.228 30 10 JEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(c2ccccc2)CC1 1722630170 WVNGRWWPBHTQHI-HXUWFJFHSA-N 459.616 2.490 30 10 JEEE C=CCn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1722682841 MVYVTSWOTQBAGZ-APWZRJJASA-N 454.531 2.476 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(C)C1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 1722698283 XTQPTNNNFPFXJJ-DFNIBXOVSA-N 484.605 2.348 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccc(CN3CCO[C@H](C)C3)c2)C1 1722708671 BBAXUTFQODHZPW-NFBKMPQASA-N 482.629 2.467 30 10 JEEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCn2cncn2)C[C@@H](C(F)(F)F)O1 1726723096 BIVLMHQHSQTAMO-YOEHRIQHSA-N 462.436 2.176 30 10 JEEE COCCn1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@@H](COC(C)C)C2)cn1 1730774201 GSVASQPWELFFHM-JOCHJYFZSA-N 465.558 2.338 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1Cc1nnc(C)s1)[C@H]1CCS(=O)(=O)C1 1740618727 KFORSOLXVYNZFB-HNNXBMFYSA-N 494.549 2.381 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1Cc1nc(C(F)(F)F)cs1)[C@H]1CCS(=O)(=O)C1 1740624038 CXABTEDFRQIECS-ZDUSSCGKSA-N 459.519 2.381 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1C[C@@H]1CCN(CC)C1)[C@@H]1CCS(=O)(=O)C1 1740628121 NOWQBJKYQMNGNH-FGZHOGPDSA-N 485.654 2.442 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CCCS(C)(=O)=O 1740754850 WJPTVZIODGZELE-ICSRJNTNSA-N 496.655 2.201 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc(C(=O)Nc2ccccn2)n1CCN1CCN(C(C)=O)CC1 1740917654 ZPCLXRFCJROWJQ-UHFFFAOYSA-N 488.596 2.282 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1 1740957733 YXAJGYYPFGUSIE-INIZCTEOSA-N 470.578 2.167 30 10 JEEE C=CCNC(=O)Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1740962891 RMPTZWUXDXHZBB-IEBWSBKVSA-N 487.004 2.269 30 10 JEEE CC(=O)N1CCN(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCC(F)(F)CC2)CC1 1741065882 FAZNRTIOMVHYJU-UHFFFAOYSA-N 473.528 2.128 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2C[C@H](C)N2CCN(CC)CC2)c1 1748691305 CHDILXWCTNTSGX-NRFANRHFSA-N 486.624 2.422 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H](OC)C(C)C)CC1 1749001254 OAZAFZCAARSGEV-ZCNNSNEGSA-N 460.623 2.475 30 10 JEEE C=C(C)COCCn1c(-c2cccc(OC)c2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1749215636 CNUMTSQHHBSHPE-UHFFFAOYSA-N 477.569 2.367 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2Cc2nnc(C)s2)c1 1760128452 IEHLKNQQSHEGCX-KRWDZBQOSA-N 451.556 2.437 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1CCNC(=O)[C@@H](C)CCC)[C@@H]1CCS(=O)(=O)C1 1760184861 MTFJNRUHOKYZMG-VQTJNVASSA-N 471.627 2.433 30 10 JEEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1Cc1c(C)nn(C)c1C)[C@@H]1CCS(=O)(=O)C1 1760192847 YGGUYRXAVNTDIX-OAQYLSRUSA-N 496.637 2.499 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccc(OC)cc3)n2Cc2cnccc2OC)CC1 1760271344 VKIVQMVZTSKROG-UHFFFAOYSA-N 488.592 2.490 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1760314629 YKBOYZRMCATUAJ-WLENULPWSA-N 460.579 2.209 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 1760333932 IIWWJBZSQIQZCU-ZJOUEHCJSA-N 492.646 2.131 30 10 JEEE C=CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(NS(=O)(=O)CC)CC1 1760426214 JDJLBPPNTKWTSF-UHFFFAOYSA-N 499.641 2.456 30 10 JEEE CC(C)[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)C1)N1CCCC1 1760879617 BUHPDGKMHPSJDO-OAQYLSRUSA-N 451.575 2.128 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@@H]2c2ccc(O)c(OC)c2)cc1C 1862404745 GOHLUKMEFGQUJK-OAQYLSRUSA-N 454.479 2.432 30 10 JEEE N#C[C@H](c1cccs1)N1CCC(C(=O)NCC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 1868784615 XRFVASDSUOFYJS-OAQYLSRUSA-N 496.593 2.398 30 10 JEEE CC[C@@](C)(NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1)C(=O)N(CCOC)CCOC 1868795151 JHJBSBAPPGBTOZ-WMZHIEFXSA-N 464.632 2.431 30 10 JEEE C=CCn1cc(OCC(=O)Nc2ccccc2OCC)c(=O)cc1CSc1nnnn1C 1870228595 LNILTFSSUOCMGG-UHFFFAOYSA-N 456.528 2.266 30 10 JEEE C=CCn1cc(OCc2nc(O)c3ccccc3n2)c(=O)cc1CN(CCOC)CCOC 1870373454 AQTUTDXVIFBKOE-UHFFFAOYSA-N 454.527 2.357 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)Nc2cc(C)ccc2OC)cn1CCNC(C)=O 1870426579 DPQRIQIAPMXKBD-UHFFFAOYSA-N 482.581 2.493 30 10 JEEE C=CCn1cc(OCC(=O)Nc2ccc3c(c2)OCO3)c(=O)cc1CN1C[C@H](C)O[C@H](C)C1 1870434481 OUJYOZLAUPQETB-CALCHBBNSA-N 455.511 2.390 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)Nc2ccc(F)cc2)cn1CCNC(C)=O 1870733263 KIZGOYLHZQIBTF-UHFFFAOYSA-N 456.518 2.315 30 10 JEEE COc1cc(OC)c(OC)cc1/C=N/n1c(Cc2ccc(F)cc2)nnc1SCC(N)=O 1874377893 SZMSJUFMNOOTLS-BHGWPJFGSA-N 459.503 2.493 30 10 JEEE CC(C)N1C(=O)CS[C@H](C(=O)N2CCC(N3CC[C@@H](O)C3)CC2)[C@@H]1c1ccc(C#N)cc1 1892014765 CBEDQXXANIGIDQ-PUHATCMVSA-N 456.612 2.009 30 10 JEEE CC(C)(C)OC(=O)NCC(CNC(=O)OC(C)(C)C)NS(=O)(=O)c1ccc(C#N)s1 1982313024 GPWJKIDRFBJASC-UHFFFAOYSA-N 460.578 2.316 30 10 JEEE COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CCN(C(=O)C=Cc2ccccc2C#N)CC1 2042452035 XCMVNMGXUWQXCA-UHFFFAOYSA-N 457.508 2.101 30 10 JEEE CC(C)(C)OC(=O)N1Cc2nncn2C[C@@H]1C(=O)N1CCC[C@@H](B2OC(C)(C)C(C)(C)O2)C1 2180982503 HECXFNIOBBVFLP-HZPDHXFCSA-N 461.372 2.482 30 10 JEEE Cn1cc([C@H](NC(=O)OC(C)(C)C)C(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)cn1 2206637734 WLALYNUGWYHVMK-KRWDZBQOSA-N 457.340 2.319 30 10 JEEE CC1(C)OB(c2scnc2CS(=O)(=O)N(Cc2ccccc2)C2COC2)OC1(C)C 2247905250 TUQTZZLDNVYINL-UHFFFAOYSA-N 450.391 2.173 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]1CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2247952930 QINIJYKEHTXFNA-OCCSQVGLSA-N 458.411 2.239 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2[C@H]1NC(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2266994271 SCYXEGBCFSJAKS-IEAZIUSSSA-N 464.393 2.458 30 10 JEEE Cn1nc(C(=O)N[C@H]2C=CCN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2267187193 UNTFACKGQPSYBP-ZDUSSCGKSA-N 466.775 2.278 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](NC(=O)c2c(Cl)cccc2B2OC(C)(C)C(C)(C)O2)C1 2267479464 MCQFRNAKAUYOTI-HZPDHXFCSA-N 466.771 2.349 30 10 JEEE CC(C)(C)OC(=O)N1CC(O)(CNC(=O)c2cc(Cl)cc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267513860 RWTQRMRDZIYOJY-UHFFFAOYSA-N 466.771 2.351 30 10 JEEE CCN(CCN(CC)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1)C(=O)OC(C)(C)C 2267536940 NCXCSVHFNGXUDZ-UHFFFAOYSA-N 450.389 2.438 30 10 JEEE CO[C@H](C)[C@@H](CC(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1)NC(=O)OC(C)(C)C 2268650693 QVVQUHWTQOASSF-UKRRQHHQSA-N 469.413 2.377 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@H]2[C@H](C(=O)NCc3sccc3B3OC(C)(C)C(C)(C)O3)[C@H]21 2268721460 LMCYSHBHUIJKSP-BRWVUGGUSA-N 464.393 2.298 30 10 JEEE CC1(C)OB(c2cccc(N3CCO[C@]4(CCCN(C(=O)C(F)(F)F)C4)C3)n2)OC1(C)C 2281499675 MHFXGXQQBDDULI-HXUWFJFHSA-N 455.286 2.141 30 10 JEEE CN(CCOCCN(C)C(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2281808628 DGTZHMPFPJIWRB-UHFFFAOYSA-N 463.384 2.336 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CC12CC(NS(=O)(=O)c1cncc(B3OC(C)(C)C(C)(C)O3)c1)C2 2282354956 XTWGOISPFFKDAG-WIVVBHTDSA-N 479.408 2.105 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H]1COC[C@H]1NC(=O)OC(C)(C)C 2282553194 WBYAXDATJJFBDS-IAGOWNOFSA-N 462.352 2.016 30 10 JEEE Cc1c(C(=O)N2C[C@H](F)C[C@@H]2CNC(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282562224 YCFIMNMEPKFQRN-HUUCEWRRSA-N 466.363 2.105 30 10 JEEE C[C@@H]1CCN(C(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)[C@H](CNC(=O)OC(C)(C)C)C1 2282569315 PQDWTZXTBBRFNK-CVEARBPZSA-N 462.400 2.485 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](CNC(=O)c3nccnc3B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2283055248 FSVNFZFSCOXTLW-OWCLPIDISA-N 458.368 2.009 30 10 JEEE C[C@@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2CN1C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2283062624 UFUAWTWOPTVVOK-OAGGEKHMSA-N 458.368 2.103 30 10 JEEE CC(C)(C)OC(=O)NCC12CC(C(=O)Nc3cccc(B4OC(C)(C)C(C)(C)O4)n3)(CO1)C2 2283926962 UZRRMMAYRNFGGI-UHFFFAOYSA-N 459.352 2.393 30 10 JEEE CO[C@H]1[C@@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)s2)N(C(=O)OC(C)(C)C)C[C@H]1OC 2284042918 WPZNYIKYOHALFK-VHDGCEQUSA-N 483.396 2.030 30 10 JEEE CO[C@H]1CN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2C)C[C@@H]1NC(=O)OC(C)(C)C 2285198637 PIPRHGAHSIPSSE-IRXDYDNUSA-N 461.368 2.053 30 10 JEEE CCOc1ccc([C@H]2C(=C(O)c3ccco3)C(=O)C(=O)N2CCN2CCOCC2)cc1OC 2296124633 MJXSLKFHXXXKGB-NRFANRHFSA-N 456.495 2.441 30 10 JEEE Cc1scc(C(=O)N[C@@H]2COC[C@@H]2NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2320438503 APRCSOVJZRJIMQ-CABCVRRESA-N 452.382 2.378 30 10 JEEE Cn1nc(C(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2334263740 FNURMQURGUHVEJ-SGMGOOAPSA-N 466.775 2.110 30 10 JEEE COc1nc(OC[C@@H]2COCCN2C(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2339836481 AAZLNRZFNCFJLB-HNNXBMFYSA-N 450.341 2.404 30 10 JEEE Cn1ncc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H]3CC[C@H]23)c1B1OC(C)(C)C(C)(C)O1 2359263599 YUYWBBLBKBASSE-HYVNUMGLSA-N 460.384 2.237 30 10 JEEE CS[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nc(C)n1C 2362480587 KRAZWRQAMOIMLF-CABCVRRESA-N 480.440 2.108 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2C[C@@](F)(CNC(=O)OC(C)(C)C)C2)n1C 2362495481 XMQLIRXZXXCHGD-CAJLXGCNSA-N 466.363 2.153 30 10 JEEE Cc1ccc(S(=O)(=O)/N=C(\O)N(CCN(C(C)C)C(C)C)[C@@H]2CCS(=O)(=O)C2)cc1 23989985 IQUBFXFTYQNJKF-GOSISDBHSA-N 459.634 2.206 30 10 JEEE N#C/C(C(=O)NCc1ccco1)=c1/s/c(=C/c2cccc([N+](=O)[O-])c2)c(=O)n1-c1ccccc1 102453014 CWHKWAQUQPKSTR-DIWVDQHVSA-N 472.482 2.220 30 10 JEEE COC(=O)c1ccc(C)c(NC(=O)C(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)c1 501342059 AGUZYNPUCSRARO-UHFFFAOYSA-N 457.490 2.489 30 10 JEEE C#CCN(C(=O)CCN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 729332112 VCIKDJZQOZWQGA-OAQYLSRUSA-N 474.604 2.229 30 10 JEEE C[C@@H](OC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1sc2c(c1C#N)CCC2 853670037 DMZOTFFKFOJHCE-GFCCVEGCSA-N 472.548 2.107 30 10 JEEE Cc1nn(C(C)C)c(C)c1C=NNc1nnc(SCC(=O)Nc2ccc3c(c2)OCCO3)n1N 1084410937 NVZUJGWNFCTFHX-UHFFFAOYSA-N 485.574 2.334 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 1128538350 MGRRBSGNKUCGDJ-UTKZUKDTSA-N 452.573 2.202 30 10 JEEE C=CCn1c(SCC(=O)N[C@@H]2CCC(=O)NC2=O)nnc1-c1ccc(Cl)cc1Cl 1137663550 FEHZDONWMASZLR-CYBMUJFWSA-N 454.339 2.451 30 10 JEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 1286341899 JYWWNJMYPBKFFF-HNNXBMFYSA-N 494.021 2.205 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1C[C@@H](CC)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1286393580 QVXAYFHXPDIQBM-MSOLQXFVSA-N 465.620 2.161 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC(C)(C)C(=O)NCC 1286426443 VRTXDMMQCRHOPK-UHFFFAOYSA-N 473.581 2.300 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1c[nH]c2cc(C)ccc12 1286467768 UQXJYNKHRUUTGR-IBGZPJMESA-N 455.584 2.299 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H](C2CC2)N(C)C)CC1 1286491415 RBDSRVWDDVZABC-QFIPXVFZSA-N 470.568 2.453 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2CC[C@H]2CCOC2)CC1 1286492388 JSKNWMADMHNJKN-SFHVURJKSA-N 455.534 2.389 30 10 JEEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC)(CC)C1 1286609175 YAINGWHPPWGDRP-GOSISDBHSA-N 455.625 2.220 30 10 JEEE C=C(Cl)Cn1c(N2CCN(CC(=O)N(C)C)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1286635095 JTBNWNYNOCUIHX-CALCHBBNSA-N 482.029 2.012 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1286783286 JGAGIRSCVFZWIM-KRWDZBQOSA-N 455.954 2.346 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(CC(N)=O)CC1 1286797285 UKRYOYWMUZKZAA-UHFFFAOYSA-N 452.559 2.219 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1286817759 YNKOIVBUCHXOKD-HNNXBMFYSA-N 467.979 2.476 30 10 JEEE CCCNC(=O)CCn1c(Cc2ccccc2OC)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1294858511 DPCVOHZIKJWLAT-UHFFFAOYSA-N 488.596 2.387 30 10 JEEE COc1cc(Cl)ccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1 1299910850 GBZLTNGPPPHOFQ-KZULUSFZSA-N 456.931 2.041 30 10 JEEE C#CCCCn1c(-c2ccccc2C)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1300400454 WSJJQZNGKPQSIB-UHFFFAOYSA-N 454.556 2.307 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cscc1C)[C@@H]1CCS(=O)(=O)C1 1300481832 BWXWOGUJZLWQKP-KNQAVFIVSA-N 478.640 2.364 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CC1(SC)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1300489817 SXIUGBUFJOTFSQ-LJQANCHMSA-N 490.651 2.493 30 10 JEEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1C[C@@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1300504827 UAOXDVDOTBVSMM-CVDCTZTESA-N 460.600 2.262 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc3ccccc3o2)n1CCN/C(O)=C1/N=CC=CC1=O 1300657119 SERFEOYQVHUNNT-LNVKXUELSA-N 460.494 2.304 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCCCO2)n1Cc1ccccc1CN1CC[C@H](O)C1 1300664772 FPMFPPWGOXSYSP-XZOQPEGZSA-N 453.587 2.221 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2CCCNC(=O)C2CCC2)CC1 1300719033 LWAONNRHMLAOMF-UHFFFAOYSA-N 466.561 2.356 30 10 JEEE C=CCCOCCn1c(CC(C)(C)C)nnc1N1CCN(c2ncnc3c2cnn3C)CC1 1301258124 LTXLCJACYVKURH-UHFFFAOYSA-N 453.595 2.463 30 10 JEEE C=CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1301295204 VWQJGCIHZQAWLN-ROUUACIJSA-N 482.651 2.296 30 10 JEEE C=CCN(c1nnc(-c2cc(Br)cn2C)n1CCS(=O)(=O)N(C)C)C1CC1 1301316955 QCOSTLQSLHQRBT-UHFFFAOYSA-N 457.398 2.092 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cnn(C)c1C 1301338195 SPMFIMBIWQCGMW-LJQANCHMSA-N 470.599 2.472 30 10 JEEE C=CCN(CC=C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1301371794 SNAJLSZMFNVDQE-RTBURBONSA-N 485.614 2.308 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(F)(F)CC1 1301575011 ADUACKPBTODXSJ-UHFFFAOYSA-N 474.555 2.185 30 10 JEEE COCCN(C)c1nnc(COc2ccc(C#N)cc2)n1CC1(N2CCCC2)CCOCC1 1301708695 AGFSFELBLCUBEI-UHFFFAOYSA-N 454.575 2.456 30 10 JEEE COC[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)N2CCOCC2)C1 1315900624 AIMYMAWQFLTOKQ-PZJWPPBQSA-N 454.575 2.312 30 10 JEEE CS[C@@H]1CCCCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCS(=O)(=O)CC2)C1 1316421589 DCZHWDWQPLFPOF-LJQANCHMSA-N 475.640 2.478 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@]1(O)CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1358962437 PQFHCFNIRUHNQA-KGVIQGDOSA-N 450.605 2.088 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1Cc1ccc(C)nc1)[C@H]1CCS(=O)(=O)C1 1358967591 NPHJOELGKBIVTE-IBGZPJMESA-N 469.542 2.375 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCOCC1CCOCC1 1358991706 LQIHMLTUJRRPFA-UHFFFAOYSA-N 488.592 2.488 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2CCCN2CCCCC2)CC1 1359039094 WUZNNUXDIMFLBS-UHFFFAOYSA-N 452.603 2.497 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1359047008 NNYVQQPSDAAWNV-NRFANRHFSA-N 454.619 2.235 30 10 JEEE C#CCSCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCCN(S(C)(=O)=O)CC1 1359050043 DVQCTFDHOZIBHH-UHFFFAOYSA-N 485.639 2.173 30 10 JEEE C#CCSCCn1c(CC2CC2)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1359059180 DCKYNTDDQZVJNZ-UHFFFAOYSA-N 459.641 2.416 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 1359097875 VBEDNQCCZKVEMD-LMNJBCLMSA-N 473.599 2.250 30 10 JEEE C=CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@H]1CCCN1S(C)(=O)=O 1359238258 FDBKDWLQSLUBMB-QGZVFWFLSA-N 485.614 2.111 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1CCS(=O)(=O)C1 1359239188 IEAZOQWLWAEQTC-DLBZAZTESA-N 453.609 2.450 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1359297055 CUPZWVSGZPMIGZ-UHFFFAOYSA-N 488.036 2.281 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1359336501 RSTKWZRDXKAYTR-YOSAUDMPSA-N 495.690 2.099 30 10 JEEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1449313071 SGCHYLQLNYVJEM-SFHVURJKSA-N 456.561 2.101 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1ccc(F)cc1F)[C@H]1CCS(=O)(=O)C1 1507631385 DBQLZISPKDPDLQ-HKUYNNGSSA-N 450.511 2.473 30 10 JEEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 1507835509 CTNLSXIALQAYDF-UHFFFAOYSA-N 460.623 2.484 30 10 JEEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)c2ccccc2)CC1 1507956749 FXWYIXHFMBNUDX-UHFFFAOYSA-N 475.553 2.481 30 10 JEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1508084145 IPSJDMCRDNOLPK-INIZCTEOSA-N 459.620 2.067 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(CCc2ccccc2)CC1 1508143429 YQHARQZRRKLHMW-JOCHJYFZSA-N 473.643 2.485 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(OC)cc2)nnc1N1CCS[C@@H](C)C1 1508148840 KVWJVHXOKYCCMO-INIZCTEOSA-N 452.602 2.408 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1508149150 OKUPEZPVBRJFMR-FDDCHVKYSA-N 494.589 2.371 30 10 JEEE CC[C@@H](C)N(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(S(C)(=O)=O)CC1 1513157686 ADKYJFFECCFQBC-GOSISDBHSA-N 474.631 2.472 30 10 JEEE COCC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCCS2)CC1 1518654360 GVGDNUQMDFVWIR-HXUWFJFHSA-N 470.599 2.309 30 10 JEEE C=CCn1cc(CNC(=O)C2CCN(C(=O)CSc3ncnc4ccccc34)CC2)nn1 1536910347 PHOFPIHGLYJXCO-UHFFFAOYSA-N 451.556 2.054 30 10 JEEE C#CCN(c1nnc(COc2cc(C)ccc2C(C)C)n1Cc1cnnn1C)[C@H]1CCS(=O)(=O)C1 1539229340 BSTGZOSFMZYBBI-IBGZPJMESA-N 497.625 2.092 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2Cc2nncn2CC)CC1 1539430371 JJGQVJMOADIAQM-QGZVFWFLSA-N 454.966 2.486 30 10 JEEE C=C(Br)Cn1c(Cc2ccccc2OC)nnc1N1CCO[C@H](CNC(C)=O)C1 1539599701 CBWHXSMGIRKXFO-QGZVFWFLSA-N 464.364 2.127 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)[C@@H](C)CC(N)=O 1539628226 OSKAXEHCJNDDDK-MDOVXXIYSA-N 451.531 2.275 30 10 JEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccccc1C(=O)N1CCC(C(N)=O)CC1 1540821561 OVXQBEGZINPPRV-IBGZPJMESA-N 456.543 2.269 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCN(CC(F)(F)F)CC1 1540864039 NDSZBZLSSZWQFF-UHFFFAOYSA-N 490.328 2.033 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1540865786 SFMTVVCQSAGGNM-SJORKVTESA-N 473.375 2.257 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCn2cc(Br)cn2)C1 1540891110 OZKCRFOWAIEFSR-HZPDHXFCSA-N 464.368 2.060 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(c2cccc(C)c2C)CC1 1540906011 YOOJVASYWPZOSO-HXUWFJFHSA-N 459.616 2.326 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCCN1C[C@@H](C)C[C@H](C)C1 1543595516 ARYMDLSQOJNUMQ-SFTDATJTSA-N 493.660 2.378 30 10 JEEE CCN(CCCn1c([C@H]2CCC(=O)N2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1)S(C)(=O)=O 1547574259 HUGRDLQJAONOTB-OAQYLSRUSA-N 497.625 2.066 30 10 JEEE Cc1cc(C(=O)N2C[C@@H](C(N)=O)C3(CCN(c4ccc(C#N)c(C(F)(F)F)c4)CC3)C2)nn1C 1548375170 DVLJIRIIGVMKRM-SFHVURJKSA-N 474.487 2.463 30 10 JEEE COc1ccc(-c2nnc(N(C)[C@@H](C)CC#N)n2C[C@]2(O)CCS(=O)(=O)C2)cc1Br 1554819950 CJFBZQFKELQSAN-ORAYPTAESA-N 498.403 2.004 30 10 JEEE COCCN1C[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCS[C@@H](C)C2)CC1=O 1555573985 DXUCWVUHBFCAOE-HKUYNNGSSA-N 470.599 2.165 30 10 JEEE C#CC1(O)CN(C(=O)CSc2nnc(COc3ccc(Cl)cc3)n2Cc2ccco2)C1 1558691070 CAUFEXQOQFMKQR-UHFFFAOYSA-N 458.927 2.450 30 10 JEEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CCSC(C)C)[C@@H]1CCS(=O)(=O)C1 1588034347 DMYOCYNYJGZPGX-WIYYLYMNSA-N 470.661 2.087 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H](CC)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1588044863 CDTXSKJPQIBQNF-OALUTQOASA-N 488.614 2.270 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H](CC)Oc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1588049965 ONZOELMREKHGAQ-QZTJIDSGSA-N 484.557 2.359 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccccc2OC)n1C[C@@H](N1CCOCC1)C(F)(F)F 1588166625 LXROCSQWHZUWRM-HXUWFJFHSA-N 477.487 2.202 30 10 JEEE C#CCN(CCOC)c1nnc(Cc2ccccc2F)n1C[C@@]1(N2CCOCC2)CCSC1 1588659799 OGGINJOXEIENFY-DEOSSOPVSA-N 473.618 2.302 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCN1CCSCC1 1588697547 TTZKMNVKSKVNSA-IBGZPJMESA-N 478.663 2.485 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H](C)N2CCC[C@H](C)C2)CC1 1588864741 JNZMYXLYFSWAPA-VQTJNVASSA-N 469.659 2.145 30 10 JEEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(C)(C)N2C[C@H](C)O[C@H](C)C2)CC1 1594097345 RFFIELJEDBHGKP-OTWHNJEPSA-N 451.637 2.224 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](CCC)C1 1594497833 MVNPSQNIIWDIOD-ZWKOTPCHSA-N 455.625 2.219 30 10 JEEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1595434800 SWKAREZPWUHZQU-KDURUIRLSA-N 485.658 2.082 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCCN(C(C)=O)CC1 1595500747 DNBZHLVTSGTKKR-UHFFFAOYSA-N 475.391 2.377 30 10 JEEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccc(C)c2)CC1 1595844585 DUKFABUFVHOJGT-SFHVURJKSA-N 464.661 2.443 30 10 JEEE C#CCN(C(=O)c1ccc(C[C@@H]2CC(=O)NC2=O)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 1596141768 JFLXTWSDTJCVCF-LJQANCHMSA-N 453.539 2.367 30 10 JEEE CC(C)CCN(CCC#N)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccsc1 1606966101 DDOIBDTYQGTGDR-GOSISDBHSA-N 466.633 2.487 30 10 JEEE C=CC[C@H](CO)CNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1 1624243374 NLROTPCYWWRCRD-STQMWFEESA-N 451.408 2.212 30 10 JEEE COc1ccc(C(=O)N2CCN(C(=O)NCCc3ccc(C#N)cc3)CC2)c(OC)c1OC 1636897553 HTFHSDWRXSLTPL-UHFFFAOYSA-N 452.511 2.294 30 10 JEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CCCCN1CCOCC1)[C@H]1CCS(=O)(=O)C1 1689982931 XHANZJDXTYKUOJ-NRFANRHFSA-N 492.045 2.338 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H](c1ccco1)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1689989993 KTLMQHILTITJIK-NJDAHSKKSA-N 489.642 2.475 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)CCNS(C)(=O)=O 1690239578 YNEGUGUWJJPYBC-CZUORRHYSA-N 487.424 2.002 30 10 JEEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(CC(=O)NCc2ccccc2)CC1 1690294658 TWLFROZSWLRCFP-UHFFFAOYSA-N 493.637 2.284 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCSC2(CCCCC2)C1 1690714015 BUQPIXOMXBOESA-UHFFFAOYSA-N 467.661 2.371 30 10 JEEE C[C@H](CN1CCOCC1)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CC(=O)N(C)C)CC1 1692739819 CPAPBYJTFJNOPE-HXUWFJFHSA-N 479.629 2.480 30 10 JEEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCNS(=O)(=O)Cc2ccon2)C[C@@H](C)S1 1693782177 CFJBUJPYVGRGHW-IYBDPMFKSA-N 487.611 2.255 30 10 JEEE C[C@@H]1CN(CCCn2c(COc3ccc(C#N)cc3)nnc2N2CCOC[C@H]2C)CCCO1 1693843477 HQZJEAINIUEOFV-WOJBJXKFSA-N 454.575 2.455 30 10 JEEE CO[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1697123468 AUBBVTUSYAYLGQ-ZBFHGGJFSA-N 466.464 2.268 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2CCC2(O)CCOCC2)c1 1705506772 IDWZVAHUKOLUAX-UHFFFAOYSA-N 474.565 2.252 30 10 JEEE C#CCCCn1c(Cc2cn3ccccc3n2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1705536600 RYMSSGNJLZIFGC-WOJBJXKFSA-N 463.586 2.298 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCN(C)[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1705570186 KZPUGRVOXXLGSM-WIYYLYMNSA-N 461.607 2.365 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCNC(=O)C1CCC1 1705620427 TUHCKTWFIRPOTK-HXUWFJFHSA-N 487.601 2.266 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@](C)(O)c2ccco2)CC1 1705643382 DFEFJGHTDFZCDQ-HHJKRLRDSA-N 484.601 2.305 30 10 JEEE C=C(C)COCCn1c(-c2ccc(C#N)cc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1705732145 PDHTULGRNRZWMP-UHFFFAOYSA-N 458.588 2.270 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCCN(CC(C)C)C2)CC1 1705768959 FCRRRGUZGOYOKA-RTWAWAEBSA-N 480.679 2.135 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@@H]1COCCO1 1705865115 RBBFLPPEQPXVGU-RBUKOAKNSA-N 464.563 2.317 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H](c2ccco2)C1 1705896037 ACVWLHLMLVPNOD-GOSISDBHSA-N 484.582 2.085 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@]2(C)CN(C)C2=O)C1 1705917372 TTZUFVDTNHFPCD-MGPUTAFESA-N 463.380 2.306 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1705933378 FGJFKOQMSKAMHY-ROUUACIJSA-N 477.631 2.482 30 10 JEEE CCOc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1CCCc1cnn(C)c1 1710568384 BXXSELXQLUSPFO-IBGZPJMESA-N 451.531 2.351 30 10 JEEE CCS(=O)(=O)N(C)CCCn1c([C@H]2CCC(=O)N2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1710886300 FSEFMCNJAFNMBT-OAQYLSRUSA-N 497.625 2.066 30 10 JEEE CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCOC2(CCCCCC2)C1 1711425040 GEEHURFFXXLZEK-UHFFFAOYSA-N 488.614 2.208 30 10 JEEE N#C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccnc(C(F)(F)F)c2)CCO1 1712882503 CJLFPKMHBUGOQZ-CQSZACIVSA-N 458.404 2.116 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1CC1CCS(=O)(=O)CC1 1722275851 BRICDSAVOIUROF-ZDUSSCGKSA-N 454.394 2.329 30 10 JEEE C#CCN(c1nnc(-c2cccc3cccnc23)n1CCOCC(F)F)[C@H]1CCS(=O)(=O)C1 1722364297 YTEIAFAOYUDVNZ-KRWDZBQOSA-N 475.521 2.402 30 10 JEEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1CCS(=O)(=O)c1ccccc1 1722401468 YURVICNPUZWDFH-UHFFFAOYSA-N 481.603 2.206 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccccc2OC(F)F)CC1 1722431889 PIJPSWLKYUATJF-UHFFFAOYSA-N 467.480 2.330 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCOCC(=C)C)CC1 1722447521 MFKYUPDANCTGTN-QFIPXVFZSA-N 465.554 2.349 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(OC)c1OC 1722518272 YDLXZOBQKMCVKB-IBGZPJMESA-N 479.603 2.079 30 10 JEEE C=C(C)COCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCO[C@H](C#N)C1 1722532855 YIFOVJJDJIHSPV-GOSISDBHSA-N 463.542 2.386 30 10 JEEE C=C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCN2CCOCC2(C)C)CC1 1722561327 PHSDWHQVTIDEMI-UHFFFAOYSA-N 488.658 2.463 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN1C(=O)OC(C)(C)C 1722681653 PGJOZQJVMAYUHN-ZWKOTPCHSA-N 483.635 2.219 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(CN2CCCCCC2)CC1 1722690691 LUEKOSPIAINVIM-UHFFFAOYSA-N 480.617 2.320 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1722694388 UJZRQTKAMDRHPN-LBPRGKRZSA-N 488.433 2.085 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1Cc2ccc(Br)cc2C1 1722725434 OLZUQNRRLSYLPA-UHFFFAOYSA-N 494.415 2.398 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCCC[C@H](COC)C1 1722727499 MENHRYPZANEENI-KRWDZBQOSA-N 486.598 2.448 30 10 JEEE C=CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1722738535 KPONYHFHBMXGQB-LEWJYISDSA-N 470.643 2.440 30 10 JEEE CCS(=O)(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)CN2CCOCC2)CC1 1729181311 HWYNTEBWBQRHRL-IBGZPJMESA-N 486.642 2.189 30 10 JEEE COCC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1730624353 DFKRAOSSLRLNGQ-QFIPXVFZSA-N 494.518 2.499 30 10 JEEE COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(Cl)cc1OC 1730763575 HYCJPMPJJVMFHC-MRXNPFEDSA-N 467.979 2.257 30 10 JEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1cccnc1OCCC 1740602826 WPVRLFCIAFEVLL-UHFFFAOYSA-N 468.583 2.497 30 10 JEEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCOC[C@@H]1CCOC1 1740671859 QCVLYXJNHYVLBH-VQTJNVASSA-N 477.606 2.489 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCS(=O)(=O)C(C)(C)C)CC1 1740696943 LNNFTRGDHWSIPL-UHFFFAOYSA-N 464.035 2.491 30 10 JEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCc2ccc(OC)c(OC)c2OC)CC1 1740698691 KVLKVTIAUHAITH-UHFFFAOYSA-N 493.612 2.163 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2CC2CCOCC2)CC1 1740707939 WAXPTCYEHCZHOO-UHFFFAOYSA-N 455.534 2.389 30 10 JEEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1740723943 WSFSJBBFNZYLRD-IPMKNSEASA-N 464.657 2.190 30 10 JEEE C=CCC(C)(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1740844897 XTIFDKAPROVHAR-IBGZPJMESA-N 495.671 2.469 30 10 JEEE C=CCn1c(COc2ccccc2OC)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1740948965 WOBAZOQJXCZROC-FPOVZHCZSA-N 468.602 2.431 30 10 JEEE C=CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1741003009 NSUHLGITYYJEEM-MAUKXSAKSA-N 450.586 2.333 30 10 JEEE Cc1noc(C)c1[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1742861870 BSIKLTDFGXTLAO-QGZVFWFLSA-N 476.585 2.436 30 10 JEEE CC[C@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCNC(=O)c1ccco1 1743753129 IBISNCVHZKWIQH-IRXDYDNUSA-N 463.546 2.191 30 10 JEEE CC[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC=C(c2ccc(C#N)cc2)CC1)OC 1744115834 CPKNXOCHANFWIV-UZLBHIALSA-N 458.588 2.479 30 10 JEEE C#CCN(c1nnc(-c2cc(C)nc3ccccc23)n1C[C@@H](COC)OC)[C@H]1CCS(=O)(=O)C1 1748803879 ASNAJEJDMOAXKY-OALUTQOASA-N 483.594 2.090 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1CCc1ccc(S(C)(=O)=O)cc1)[C@H]1CCS(=O)(=O)C1 1748804329 FWPLFBKRXRTVEX-MJGOQNOKSA-N 478.640 2.065 30 10 JEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1Cc1nnc(C)s1)[C@H]1CCS(=O)(=O)C1 1748809511 UQJISSSQEPEFTL-INIZCTEOSA-N 462.988 2.433 30 10 JEEE C#CCN(c1nnc(-c2cn(C)c3ccccc23)n1CCOCC(F)F)[C@@H]1CCS(=O)(=O)C1 1748812093 PSNSCQQDHKFUFN-MRXNPFEDSA-N 477.537 2.345 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CC2(O)CCCC2)CC1 1748978557 MPPMJMLYSGXOLO-UHFFFAOYSA-N 455.559 2.031 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@H](F)COC)CC1 1749003218 BNXBQYHWXVXDCT-KRWDZBQOSA-N 465.476 2.497 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCNC(=O)C2CC2)CC1 1749004099 DSKFOAOOTLKMNU-KRWDZBQOSA-N 482.560 2.049 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2ccc(SC)cc2)CC1 1749009346 IJNIRRRYNLGJDK-FQEVSTJZSA-N 466.611 2.160 30 10 JEEE C#CCSCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1749024438 QLVRXBNHSXADAJ-SJORKVTESA-N 487.582 2.272 30 10 JEEE C#CCSCCn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1749028578 CDHNLMXOTWNKKN-UHFFFAOYSA-N 475.018 2.138 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2nccc(OC)n2)CC1 1749114469 CUYNJZWRIRPENF-WIYYLYMNSA-N 498.632 2.303 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(OC[C@@H]2CCCCO2)CC1 1749268469 AUKLANRPBLDKHY-AEFFLSMTSA-N 459.012 2.487 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@](C)(CC)C1 1749368923 UFUNORKHQSHUPW-LAUBAEHRSA-N 455.625 2.219 30 10 JEEE C=CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1749609584 VFPMFSWZMFPYMZ-QGZVFWFLSA-N 477.587 2.161 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCC[C@@H](NC(=O)CC)C1 1749730080 YXOWKHVSXQMZPR-QGZVFWFLSA-N 461.588 2.050 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCN(C(=O)NCC)CC2)nnc1C1(c2ccccc2)CCC1 1749740196 RYQQRGOQNSDLEO-UHFFFAOYSA-N 486.642 2.200 30 10 JEEE CC(=O)N1CCN([C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCCCCCO)C[C@@H]2C)CC1 1749883419 MISPOJMWZCIEHI-GBXCKJPGSA-N 479.629 2.358 30 10 JEEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(C(N)=O)CCOCC2)CCN1CC(F)(F)F 1752318035 DTAZIDMYFUARHJ-MRXNPFEDSA-N 491.518 2.172 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CCCc2cnn(C)c2)c1 1760126215 RPYCNZJPHMYAOV-UHFFFAOYSA-N 457.542 2.101 30 10 JEEE C#CCCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(CCOC)C(=O)C1 1760137200 GNGCYGNQINLSAG-HXUWFJFHSA-N 488.633 2.491 30 10 JEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)Sc1ccccc1)[C@H]1CCS(=O)(=O)C1 1760179098 MGGAXGGUGIVRMW-MOPGFXCFSA-N 487.651 2.322 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCc1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 1760186719 FXOSQEIUZVNKQP-FPOVZHCZSA-N 458.584 2.398 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CCc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1760188713 CEJZMRKQXWJXQG-OAQYLSRUSA-N 453.543 2.272 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1CCCN1CCCCC1=O)[C@H]1CCS(=O)(=O)C1 1760192909 ZNZYVLSAHFAUCB-NRFANRHFSA-N 499.637 2.195 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(N2CCOCC2)cc1 1760222236 BZFDQXUDEHKCBB-UPVQGACJSA-N 463.582 2.350 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)c2nc(C)cs2)CC1 1760264657 BHDWZQPDRNENHJ-INIZCTEOSA-N 469.615 2.049 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2cccc(COC)c2)CC1 1760269235 BZCQCQVXIIIFSP-JOCHJYFZSA-N 451.571 2.333 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1760328642 YXEAGCVZGDSNAI-ONUIULTDSA-N 461.607 2.478 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)C[C@H](O)c1ccc(C)cc1 1760346373 VREFUXXEJFNVOZ-PMACEKPBSA-N 463.604 2.055 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1760517626 SNBKKDLHNNPBTB-KRWDZBQOSA-N 469.546 2.287 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](CC2CC2)C1 1760522143 MMRNQNPASXSWOQ-GUDVDZBRSA-N 474.606 2.214 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](c2ccccc2C)C1 1760554142 SNPSEPHDMDBOQH-HXUWFJFHSA-N 456.572 2.166 30 10 JEEE C=CCN(CC=C)c1nc(NC(=O)/C=C/c2ccc(OC)cc2OC)n([C@@H]2CCS(=O)(=O)C2)n1 1870002069 AWVWFXQYYBLUIJ-XSFOEPMVSA-N 487.582 2.485 30 10 JEEE CN1C(=O)c2ccc(-n3nnc(C#N)c3NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2C1=O 1870152178 FBCYGJWUAZJELR-UHFFFAOYSA-N 451.786 2.179 30 10 JEEE C=CCn1cc(OCC(=O)OCC)c(=O)cc1CN1CCN(Cc2ccc3c(c2)OCO3)CC1 1870692232 ILEPATRDQQHTAK-UHFFFAOYSA-N 469.538 2.023 30 10 JEEE COc1ccc(N2C[C@H](c3nnc(SCCO)n3/N=C/c3ccc(O)c([N+](=O)[O-])c3)CC2=O)cc1 1874200781 KDAMLAUNUIAZRQ-AQXNZCSYSA-N 498.521 2.388 30 10 JEEE CC(=O)NCc1nnc(SCC(=O)Nc2ccc(C)cc2)n1/N=C/c1ccc(O)c(O)c1 1874431298 JDOCMPICMCNEAO-AUEPDCJTSA-N 454.512 2.247 30 10 JEEE CCOc1c(Br)cc(/C=N/n2c(CNC(C)=O)nnc2SCCCO)cc1OC 1874434929 FLNBBQVGGWXKRZ-UFFVCSGVSA-N 486.392 2.441 30 10 JEEE CC(C)(C)OC(=O)N1CC(CNS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2247881156 SKYRBDTUHWGQIV-UHFFFAOYSA-N 458.411 2.193 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1COCCN1C(=O)c1ccsc1B1OC(C)(C)C(C)(C)O1 2255641398 RCTMEBHNEVOKFJ-AWEZNQCLSA-N 452.382 2.413 30 10 JEEE CC[C@@H](CNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2255800568 UMMXZKSSJDOGDX-ZDUSSCGKSA-N 475.442 2.165 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H](CO)NC(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1Cl 2255823712 WZGMKTJVTJNURH-ZDUSSCGKSA-N 454.760 2.255 30 10 JEEE C[C@H]1C[C@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)CN(C(=O)OC(C)(C)C)C1 2256614264 MHAWJKDXAHOAKT-STQMWFEESA-N 452.386 2.091 30 10 JEEE CC1(C)OB(c2cncnc2C(=O)N2CCC[C@H](NC(=O)OCc3ccccc3)C2)OC1(C)C 2264009638 JGYDHPDUJYLBET-SFHVURJKSA-N 466.347 2.307 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)[C@H]1CN(C(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)CCO1 2267001280 JEIINKUSDWKSSC-DZGCQCFKSA-N 467.397 2.197 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@](C)(CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)C1 2267287438 WGRZGDOTPUPPCJ-JOCHJYFZSA-N 450.341 2.335 30 10 JEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCC[C@@H](OCc2ccccc2)C1 2267370238 JGCUSPMKPPHLOS-GOSISDBHSA-N 461.393 2.089 30 10 JEEE CC(C)(C)OC(=O)NCC1CN(S(=O)(=O)c2ccc(F)cc2B2OC(C)(C)C(C)(C)O2)C1 2267471589 UWFSNAFIWIHJMA-UHFFFAOYSA-N 470.372 2.270 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1CCCN1S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2267471774 VPKNHNXPALQOEK-CQSZACIVSA-N 487.453 2.261 30 10 JEEE CON(CCCNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1F)C(=O)OC(C)(C)C 2267496931 GOGQMKBLZAGSSY-UHFFFAOYSA-N 453.320 2.438 30 10 JEEE CC(C)C[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2267502237 KUWMYFCGQNOXMH-OAHLLOKOSA-N 450.389 2.389 30 10 JEEE CC(C)(C)OC(=O)N1CC(O)(CNC(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2Cl)C1 2267512049 KPZMWEWDJDAAAU-UHFFFAOYSA-N 466.771 2.351 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@@]1(CO)C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)s1 2268640102 UGQHIAGEYRCVMP-JOCHJYFZSA-N 466.409 2.426 30 10 JEEE CN(C[C@@H](O)CN(C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1F)C(=O)OC(C)(C)C 2281788527 BZLCABTURYWAKB-INIZCTEOSA-N 466.359 2.425 30 10 JEEE Cn1ncc(C(=O)N[C@@H]2C[C@H]3C[C@H]2C[C@H]3NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2281833152 XFAGOFYAQGKXJR-XOSAIJSUSA-N 460.384 2.141 30 10 JEEE Cc1cc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2CO)oc1B1OC(C)(C)C(C)(C)O1 2281974938 ZJRJQUZBFMSROR-HZPDHXFCSA-N 464.368 2.235 30 10 JEEE Cn1cc(C(=O)N2CCC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)c(B2OC(C)(C)C(C)(C)O2)n1 2281975736 RAHGRMKRPGORQH-DOTOQJQBSA-N 460.384 2.191 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)[C@@H]1C1CC1 2282013026 DGHGKGYOZDKSEY-IRXDYDNUSA-N 458.368 2.294 30 10 JEEE Cn1cc(C(=O)NC[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2(C)C)nc1B1OC(C)(C)C(C)(C)O1 2282037389 VCKMKRFVVVLSMO-GDBMZVCRSA-N 462.400 2.389 30 10 JEEE Cn1cc(C(=O)NC[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2282041658 ZPOWWJSBYFWRCU-LBPRGKRZSA-N 476.305 2.295 30 10 JEEE COCC[C@H](CNC(=O)c1nn(C)c(Cl)c1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2282051524 UQPVLSBTXSODQK-CYBMUJFWSA-N 486.806 2.032 30 10 JEEE C[C@H]1CCN(S(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C[C@@H]1NC(=O)OC(C)(C)C 2282350569 OVINTRVONQALCG-YJBOKZPZSA-N 481.424 2.305 30 10 JEEE COc1ccc(S(=O)(=O)N2CC(N(C)C(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2282504550 QRDOCEUGKWZIPT-UHFFFAOYSA-N 482.408 2.234 30 10 JEEE CCn1cc(C(=O)NC[C@@]23C[C@@H]2CN(C(=O)OC(C)(C)C)C3)nc1B1OC(C)(C)C(C)(C)O1 2282540983 RGVPSMPFSRQYIY-IQMFZBJNSA-N 460.384 2.189 30 10 JEEE Cn1cc(C(=O)NC2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)c(B2OC(C)(C)C(C)(C)O2)n1 2282589124 YOXGJZODAIFNMG-HUUCEWRRSA-N 460.384 2.095 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)CN(C(=O)c1ncc(B3OC(C)(C)C(C)(C)O3)cn1)C2 2282628098 LRXPABQEIITTRE-IYBDPMFKSA-N 458.368 2.105 30 10 JEEE C[C@@H](NC(=O)c1ccoc1B1OC(C)(C)C(C)(C)O1)C1(O)CCN(C(=O)OC(C)(C)C)CC1 2282637516 ZWHMLBKMVHIXCB-OAHLLOKOSA-N 464.368 2.459 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](Nc2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)[C@H](S(C)(=O)=O)C1 2283031057 CMIIGVXUICPFTG-ZWKOTPCHSA-N 481.424 2.012 30 10 JEEE C[C@@H](NC(=O)[C@]12C[C@](NC(=O)OC(C)(C)C)(CO1)C2)c1nscc1B1OC(C)(C)C(C)(C)O1 2284148348 YPRDFDGXWKDYEO-NBQKENEESA-N 479.408 2.446 30 10 JEEE CC1(C)OB(c2scnc2C(=O)NC2(C(=O)O)CCN(Cc3ccccc3)CC2)OC1(C)C 2284437346 QBDYPFRTOXLAGI-UHFFFAOYSA-N 471.388 2.292 30 10 JEEE COC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)(C)C)C2)n1N=Cc1cccc([N+](=O)[O-])c1 2327876151 DFEKDGIHMVYUPK-AWEZNQCLSA-N 460.516 2.448 30 10 JEEE CC(C)(C)OC(=O)NCCS(=O)(=O)CCOc1ncc(Cl)cc1B1OC(C)(C)C(C)(C)O1 2339450990 AKYCZPPSCPIZAC-UHFFFAOYSA-N 490.815 2.353 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC(F)(F)[C@@](C)(NC(=O)OC(C)(C)C)C1 2361916908 WSRJUUSCDACAQA-FQEVSTJZSA-N 470.326 2.094 30 10 JEEE Cc1ccc2c(c1)/C(=N/N=C1\NC(=O)[C@H](CC(=O)Nc3cccc([N+](=O)[O-])c3)S1)C(=O)N2 39843488 QWLNOMFZQIOFBA-HNNXBMFYSA-N 452.452 2.176 30 10 JEEE Cc1ccccc1-n1c(=O)/c(=C\c2ccc(OC(F)F)cc2)s/c1=C(\C#N)C(=O)N1CCOCC1 102962996 APRDSBBXVZLYLT-FIXAYNGVSA-N 497.523 2.171 30 10 JEEE Cc1ccc(C)c(-n2c(=C(C#N)C(=O)NC(C)C)sc(=Cc3cnn4ccccc34)c2=O)c1 729668876 SXTYGOLSGDTKDR-UHFFFAOYSA-N 457.559 2.191 30 10 JEEE CCCCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccc(C)c(F)c1 729669983 GUOAPFYSRAMROR-UHFFFAOYSA-N 475.549 2.414 30 10 JEEE CC#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1NC(=O)C[C@H]1C(=O)O 757206003 CLRREPHXOMJIPM-SFTDATJTSA-N 461.474 2.024 30 10 JEEE Cn1cc([C@H](NC(=O)C#CCNC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)cn1 757471724 UOLYIOPUSVVPJO-QHCPKHFHSA-N 458.474 2.204 30 10 JEEE 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 1128806499 ZCZSBLIDFBYEHV-GUYCJALGSA-N 457.515 2.271 30 10 JEEE C=CCN1CC[C@@H](N(C)CC(=O)Nc2sc(C(=O)OCC)c(C)c2C(=O)OCC)C1=O 1169780461 LBEFWCXTNMPJTH-CQSZACIVSA-N 451.545 2.067 30 10 JEEE C#CCCCn1c(-c2cc(OC)ccc2Br)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1286340029 SPCGBGCYPXCSKZ-RDTXWAMCSA-N 477.359 2.490 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCc1n[nH]c(C)n1)[C@H]1CCS(=O)(=O)C1 1286383668 DOUHMKMNHVBZQM-ICSRJNTNSA-N 497.625 2.331 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2CC2(S(C)(=O)=O)CCCC2)CC1 1286486731 HXGMDLSKEIEDRY-UHFFFAOYSA-N 499.637 2.277 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCCO2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1286558040 ZMUUKTYOQPYVHV-RLLQIKCJSA-N 467.636 2.361 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(C)[C@H](C)CS(=O)(=O)CC 1286562616 GZEGUKVAYAROJU-SBHAEUEKSA-N 464.636 2.380 30 10 JEEE C=C(C)COCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1286606030 DXTFGVHCTWIBLF-LJQANCHMSA-N 479.585 2.089 30 10 JEEE C=CC[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1)c1ccccc1 1286678888 GLRYGGJOINJSNC-PZJWPPBQSA-N 486.642 2.449 30 10 JEEE C=CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1286770101 QYNQTPBELQSNAV-MRXNPFEDSA-N 461.592 2.448 30 10 JEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1286789541 HTSVIRMBPYKDCJ-GOSISDBHSA-N 469.619 2.061 30 10 JEEE C=CCOc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](COC(C)C)C2)cc1 1286797677 YWWXDBCSOYGUTB-UNMCSNQZSA-N 490.626 2.424 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCN2C(=O)OC(C)(C)C)C1 1286810439 RFUJSAPATDNBNE-IPMKNSEASA-N 495.646 2.361 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCO[C@@H](COc2ccccc2)C1 1286818331 GZVTZHOJSPLFIK-LJQANCHMSA-N 457.556 2.158 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 1286822562 GASBFBULFRBPSW-UHFFFAOYSA-N 485.570 2.211 30 10 JEEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1286822984 JSWGFGQPATXTMF-LSDHHAIUSA-N 472.662 2.150 30 10 JEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc([C@]2(C)NC(=O)NC2=O)cc1 1292637336 ZSXRWOPJFNEDAW-VFNWGFHPSA-N 450.923 2.393 30 10 JEEE C#C[C@@H](NC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(Br)cc1 1298541320 FOLMPTYTWPLJQW-CQSZACIVSA-N 452.286 2.126 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccccc2OC)n1CCc1nnc2n1CCCCC2 1300548310 ZDWBPBDHJADTSE-UHFFFAOYSA-N 459.554 2.499 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(OC)cc2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1300654850 JNBDLOHKZUPIIF-IFMALSPDSA-N 487.626 2.244 30 10 JEEE COc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@]1(N(C)C)CCSC1 1300658082 AOOIGWYAAOGNBN-HTAPYJJXSA-N 458.588 2.032 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2Cc2ccc(C[S@@](C)=O)cc2)CC1 1300719623 JEBWFWFPJWUUNI-MGBGTMOVSA-N 464.595 2.166 30 10 JEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1300731725 HMNDBMWXQUHZEC-UHFFFAOYSA-N 470.599 2.053 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1300935289 PLOMCLKSICMETR-JTSKRJEESA-N 461.588 2.156 30 10 JEEE C=C1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCCCCS(C)(=O)=O)CC1 1301075984 WMOVLGIQUKUSIP-UHFFFAOYSA-N 456.576 2.292 30 10 JEEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(N2CCOC2=O)cc1 1301412510 CHSGQTHPJJAOIM-UHFFFAOYSA-N 454.531 2.158 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1301484190 CVJZJSJNBWDXRG-SFHVURJKSA-N 488.658 2.310 30 10 JEEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1301595219 PVDMWISCXYTOFP-BTYIYWSLSA-N 450.609 2.439 30 10 JEEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1301613180 VKTYEAHRAYXMNU-VQTJNVASSA-N 462.664 2.224 30 10 JEEE CN(CCOC(C)(C)C)c1nnc(-c2ccc(C#N)cc2)n1CC1(O)CCS(=O)(=O)CC1 1314876912 BSAKXZOMAULZRW-UHFFFAOYSA-N 461.588 2.008 30 10 JEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(=O)c2cc(C)oc2C)CC1 1358904551 GSWQLASSFJHWLF-KRWDZBQOSA-N 490.630 2.300 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCN(C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1358961886 GSRLWZMVCYMQPC-VXKWHMMOSA-N 471.627 2.278 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1359187879 AOIYFRMCLOFPER-SFHVURJKSA-N 464.636 2.120 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(SCC)c1 1359240129 GOCBLOBWASXWEH-SFHVURJKSA-N 451.618 2.394 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCC(=O)N2)n1CCN1CCN(C)C(C)(C)C1 1359277405 LFOJYOURNYIRIJ-FQEVSTJZSA-N 455.607 2.083 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(C(=O)N2CCCC2)CC1 1359301843 NARXVBBNWUBRJT-UHFFFAOYSA-N 454.550 2.149 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@](C)(O)c2ccccc2Cl)C1 1359313501 NKBFHGFSBUCFDN-ZOCZFRKYSA-N 484.022 2.231 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@H](C)[C@@H](OC)C1 1359329765 UCRHDCCLHYWPNB-JXFKEZNVSA-N 464.588 2.424 30 10 JEEE CC(=O)N1CCN([C@H]2CN(c3nnc(COc4ccc(C#N)cc4)n3CC(F)(F)F)C[C@H]2C)CC1 1359398963 IGHKYJILKSMNIT-UZLBHIALSA-N 491.518 2.280 30 10 JEEE C=CCc1cc(C(=O)N[C@H](C(=O)N(C)Cc2nnc3n2CCC3)C(C)C)cc(OC)c1OC 1459752467 LRSUNDORFHOSLD-NRFANRHFSA-N 455.559 2.383 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@H]1CC[C@@H](C)C1 1493436948 HQJMAWQXRCGIAI-SQNIBIBYSA-N 451.579 2.229 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1CCC(=O)N[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1507630270 VYUMCXNKSFYZJC-MOPGFXCFSA-N 457.600 2.185 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1Cc1ccc(N2CCOCC2)nc1 1507636360 DPBWZNKGUIGUEU-UHFFFAOYSA-N 483.576 2.500 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1CC1([S@](C)=O)CCC1)[C@@H]1CCS(=O)(=O)C1 1507641220 ZQRQBUXMLBZUKQ-WHUARKNTSA-N 490.651 2.093 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCCN2CCCC[C@@H]2C)CC1 1507716603 SFYWGOJVYWLKMB-NRFANRHFSA-N 464.618 2.335 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CC[C@@H](OC)C(F)(F)F)CC1 1507738951 IXTGELKXWNOBMY-IAGOWNOFSA-N 457.497 2.105 30 10 JEEE C=C(Br)Cn1c(N2CCN(C(C)=O)C[C@H]2C)nnc1[C@]1(OC(C)C)CCOC1 1507794254 XNDTZZFVWFXJAU-BEFAXECRSA-N 456.385 2.284 30 10 JEEE C=CCC(C)(C)Cn1c(CC2CC2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1507923102 NMAHKLVLHSNSLN-LJQANCHMSA-N 451.637 2.464 30 10 JEEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(c2nc(C)ns2)CC1 1507952821 BGYDNLQCORRSHE-MRXNPFEDSA-N 451.622 2.023 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@]1(O)CCOC1 1508041278 LBMXLCKMVQQTER-WZONZLPQSA-N 465.595 2.183 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H]2CCCCO2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1508102790 AOYDUYNMBYJBSJ-RBBKRZOGSA-N 455.559 2.474 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1508133591 KLKLHHSPCVVCBM-HXUWFJFHSA-N 485.031 2.214 30 10 JEEE CC[C@H](C)[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@H]2C1 1512728974 GAKPZQDWMKVMED-XAEMIUIASA-N 454.531 2.167 30 10 JEEE CCS(=O)(=O)N(C)CCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CC[C@](F)(C#N)C1 1516824666 DXPIEKDSMHJSQO-QFIPXVFZSA-N 473.578 2.464 30 10 JEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1C[C@H](OCC)C1(C)C 1539072933 ZFWJEBMZGRGBHC-FHWLQOOXSA-N 467.636 2.054 30 10 JEEE C#CCCCn1c(Cc2ccccn2)nnc1N1C[C@@H](C(=O)OC)[C@H](CNC(=O)OC(C)(C)C)C1 1539127866 RIISQAGHADLACU-UYAOXDASSA-N 482.585 2.427 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1CCCOC[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1539211814 PLIPECGOCNOOEN-NHCUHLMSSA-N 472.611 2.323 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCc1ccc(OC)c(OC)c1OC)[C@H]1CCS(=O)(=O)C1 1539216751 WSEQUIJAZAIZRL-SFHVURJKSA-N 499.593 2.168 30 10 JEEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H]1CC(=O)N(c2ccccc2)C1 1539237256 BPODGQLBMHZSRZ-QFQXNSOFSA-N 461.566 2.445 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCOC[C@@H]2CCCO2)CC1 1539474513 RXZUCWUCJMZIKB-QHCPKHFHSA-N 476.581 2.368 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@@H](C(CC)CC)N2CCOCC2)CC1 1539476490 YPXRKMPNFKAYNJ-DEOSSOPVSA-N 493.656 2.443 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(OC)cc2OC)CC1 1539480585 CKQRPNSMXFKNMV-FQEVSTJZSA-N 467.570 2.203 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1539643324 MBQIORHBIAXATF-IPJJNNNSSA-N 458.607 2.123 30 10 JEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1539721480 BCSZFDBUVTXWOH-UHFFFAOYSA-N 472.512 2.002 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)Nc1ccc(C)cc1 1539751557 PITNPDHNOMDZCN-GOSISDBHSA-N 461.588 2.156 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc(-c2cnccn2)n1CCN1CCCS1(=O)=O 1540134583 VLQAQRNWRVZKHD-UHFFFAOYSA-N 457.535 2.102 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1snnc1C 1540140473 WNHAJNQKGGHJGW-ZDUSSCGKSA-N 453.619 2.351 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CCOC(C)(C)C 1540901896 SZJULBZBTIPVRU-UHFFFAOYSA-N 488.614 2.044 30 10 JEEE C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCN1CCOC(C)(C)C1)N1CCOCC1 1541840127 DGMXUHYVKCEGKK-FQEVSTJZSA-N 467.618 2.084 30 10 JEEE C#CCOc1ccccc1CNC(=O)N1CCCN(S(=O)(=O)c2ccc(OC)cc2)CC1 1564067276 VKOOTCCXMTXFDJ-UHFFFAOYSA-N 457.552 2.313 30 10 JEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ncnn1-c1ccccc1 1587990144 SXSRAIYIKJSXCJ-IBGZPJMESA-N 478.557 2.285 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1CCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1588040932 SEGDORKKFQIGOM-GOSISDBHSA-N 489.001 2.439 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2C[C@]2(N(C)C)CCSC2)CC1 1588955435 WZXBFZGZKKDGFA-XMMPIXPASA-N 458.676 2.414 30 10 JEEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1589442773 DCLCLHITWWHPRZ-CQSZACIVSA-N 450.341 2.385 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1593741694 VHPCWGJBWUEVOC-IBGZPJMESA-N 453.522 2.159 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCc2cc(OC)c(OC)c(OC)c2CC1 1595545223 RYLPNCRVXGCQEK-GOSISDBHSA-N 485.585 2.105 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1595602058 DRVQDDPODRMOQY-IEBWSBKVSA-N 475.638 2.129 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1595776692 CXUBZLBZHHEPIS-ROUUACIJSA-N 476.599 2.426 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1595776809 FWFCMWRFHPCQAB-HXUWFJFHSA-N 470.599 2.265 30 10 JEEE CC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)C(C)(C)C)CC1 1596483631 CRJDNTYDRKFAQN-UHFFFAOYSA-N 458.588 2.135 30 10 JEEE Cc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(CCC#N)CC2CC2)cc1 1612079345 AFNAKFHZWRACBR-HXUWFJFHSA-N 458.588 2.098 30 10 JEEE CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(C#N)cc3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 1615168315 VTGHVUPSOXVRDK-IOKRJLGCSA-N 473.510 2.399 30 10 JEEE C=CC[C@@]1(C(=O)N2CCN(C(=O)C(=O)OC(C)(C)C)CC2)CCCN1C(=O)OC(C)(C)C 1644230799 WKTPDJXLTJDHNH-QHCPKHFHSA-N 451.564 2.345 30 10 JEEE CC(C)NS(=O)(=O)c1ccc(NC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 1667060720 FMGKKGKSARVRSY-FQEVSTJZSA-N 455.540 2.168 30 10 JEEE C#CCOc1cccc(NC(=O)NCC[C@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)c1 1669079300 MULPPTNVZPEBAD-SFHVURJKSA-N 451.545 2.244 30 10 JEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCc3nc[nH]c3[C@@H]2c2ccnn2C)cc1 1673397794 AETOCFMZYIUZKD-FQEVSTJZSA-N 455.544 2.129 30 10 JEEE C#CCCCCn1c(COc2ccccc2OC)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1689904364 UAGVZODPSYOYBC-QFIPXVFZSA-N 480.569 2.436 30 10 JEEE C#CCN(c1nnc(C2(c3ccccc3)CCC2)n1CCCC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1689982405 MNWLFIVXJCBREK-NRFANRHFSA-N 483.638 2.243 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1Cc1nccs1)[C@H]1CCS(=O)(=O)C1 1689984708 TXIFYYOPEHLRER-INIZCTEOSA-N 473.580 2.094 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCO[C@@H]1C(C)C)[C@H]1CCS(=O)(=O)C1 1689993982 ONBYWRQUBJZHSC-HFSMHLIXSA-N 477.656 2.322 30 10 JEEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1CC1([S@](C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1689996063 DGRWLWKIFRNANL-WHUARKNTSA-N 490.651 2.012 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccccc1)N(CC)CC 1690019962 VSNCTKBODBAWDS-FCHUYYIVSA-N 453.612 2.336 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccn(-c2ccc(F)cc2)n1 1690047674 WTESVBMSHPRDJP-IBGZPJMESA-N 480.569 2.211 30 10 JEEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCc1cccc(C(=O)NC)c1 1690072809 UWYRWTZRXPZVGT-UHFFFAOYSA-N 479.610 2.300 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(C)CCCO1 1690104560 ZJXBLUAFJYXFPX-WZONZLPQSA-N 463.579 2.242 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2CC[C@@H](N2CCOCC2)C(F)(F)F)CC1 1690130817 NEXDDYNSHCCZHB-LJQANCHMSA-N 482.576 2.339 30 10 JEEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2cccnn2)CC1 1690234366 BVNFDQHQUUJZSA-RDJZCZTQSA-N 464.368 2.027 30 10 JEEE C=C(Cl)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1690347986 XJJDWHRMVKJJSW-UHFFFAOYSA-N 450.877 2.420 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CCN2CCCC[C@H]2C)CC1 1690669731 NJDLVOSDBJPIOK-UYAOXDASSA-N 457.623 2.012 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N(C)[C@H](C)c1cccc(N2CCOC2=O)c1 1690671524 XYLDQXJMPRCAAW-AEFFLSMTSA-N 454.531 2.238 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCSC2(CCCCC2)C1 1690724759 WBUUJOPUZIKMRW-KRWDZBQOSA-N 488.701 2.037 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]1c1ccc(OC)cc1 1690724885 YDDQGPOCVITIAJ-ICSRJNTNSA-N 494.639 2.131 30 10 JEEE COc1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@H](C)CS(C)(=O)=O)c(OC)n1 1697443603 DLDDHLLYNYTLIE-OAHLLOKOSA-N 470.555 2.147 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCn1cc(CO)nn1 1705613152 CHUKJMBCOWRNAA-SFHVURJKSA-N 472.594 2.026 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](c2ccc(F)cc2)N(C)C)CC1 1705632221 JGUVSAMNBZTFOB-OAQYLSRUSA-N 476.560 2.123 30 10 JEEE C#CCN1CCN(c2nnc(CSc3ccccc3OC)n2C[C@H]2NC(=O)CC2(C)C)CC1 1705643956 WKQKECCDPNQDLL-HXUWFJFHSA-N 468.627 2.249 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(-n2ccnc2)c(F)c1 1705668424 LWVGIXHTHUNHBU-OPAMFIHVSA-N 471.562 2.254 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1705705476 IEUQNLLOUZWPDH-QTEQDKRBSA-N 488.658 2.353 30 10 JEEE C=C(C)COCCn1c([C@@H](C)CC)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1705731540 WQAPIMXQDBDUJA-OALUTQOASA-N 455.625 2.015 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCN(c2ccccc2F)CC1 1705937320 QEVOWVWLRDZCCE-UHFFFAOYSA-N 470.574 2.330 30 10 JEEE CNC(=O)C(C)(C)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CCO[C@@H](C#N)C1 1711286906 AILAZTOUXBFJRZ-AWEZNQCLSA-N 477.363 2.217 30 10 JEEE CNC(=O)CC1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2CCN(CCN(C)C)CC2)CC1 1711371266 ADGIZQVOQNZBDS-UHFFFAOYSA-N 492.672 2.443 30 10 JEEE COc1ccc(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(CC#N)CC2)c(OC)c1 1711811107 GPUHTQIJPCOOKT-MRXNPFEDSA-N 476.603 2.278 30 10 JEEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1722332847 PITNJMBRRZWOKQ-ICSRJNTNSA-N 486.617 2.495 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@H]1CCN(CCC)C1)[C@@H]1CCS(=O)(=O)C1 1722371494 JGFSRTNQJZONJB-XZOQPEGZSA-N 469.655 2.422 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](C1CC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1722371753 XZFUCTGMZRMVOQ-JSXRDJHFSA-N 477.675 2.164 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](C)N(C)C1CC1 1722382519 ALDMRQMQMHCKRC-ICSRJNTNSA-N 456.591 2.142 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2csc(CC)n2)CC1 1722450048 VEWUAWMMPIBFEW-UHFFFAOYSA-N 497.650 2.303 30 10 JEEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 1722463373 ZZZXXNSTDFZNBD-GMAHTHKFSA-N 495.697 2.447 30 10 JEEE C#CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1722466114 ZUENPXDXUSHLNG-JOCHJYFZSA-N 476.624 2.247 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 1722724789 GBHHMOSHBJVRHZ-LJQANCHMSA-N 495.671 2.293 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCN(C)CCOC 1740546931 LOWBBBTWRMISHW-SFHVURJKSA-N 451.575 2.272 30 10 JEEE C#CCN(C)c1nnc(C(=O)NC(CC)CC)n1C[C@H](C)N1CCN(c2ccccc2)CC1 1740598120 FJQBDGGYZPIXDV-FQEVSTJZSA-N 451.619 2.477 30 10 JEEE C#CCN(c1nnc(CCCc2ccccc2)n1Cc1ccc(C)n(C)c1=O)[C@@H]1CCS(=O)(=O)C1 1740623751 AIPLZCKHSQJOAG-HSZRJFAPSA-N 493.633 2.136 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CCc1cc(F)cc(F)c1)[C@H]1CCS(=O)(=O)C1 1740625789 PLWLVNMABUGQDV-NRFANRHFSA-N 471.533 2.412 30 10 JEEE C#CCN(c1nnc(CSc2ccc(Cl)cc2)n1CC(=O)NCCC)[C@H]1CCS(=O)(=O)C1 1740629083 ZZAWNPXWCSHGIQ-KRWDZBQOSA-N 496.058 2.377 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CCS(=O)(=O)C1 1740655262 CKWACADBODHVGN-WOJBJXKFSA-N 489.642 2.290 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2cccnc2)n1CCNC(=O)c1cc[nH]n1 1740678613 FPNTZUMCIBMNIG-UHFFFAOYSA-N 458.501 2.196 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCO[C@@H]1C(C)(C)C 1740685429 FNNNRPSZNICIOF-QRVBRYPASA-N 452.621 2.108 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2c(CC)nn(C)c2OC)CC1 1740704811 YBXBBSFNCRJRFA-UHFFFAOYSA-N 486.580 2.135 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2C[C@](C)(O)C(C)C)CC1 1740705352 GBKPTXAUGWLCBK-OFVILXPXSA-N 467.570 2.163 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(N(CC)CC)nc2)CC1 1740824765 BPMOAJMOXXBNEJ-FQEVSTJZSA-N 489.646 2.057 30 10 JEEE C=CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1740943435 MWFLSNCWECSMHL-HXUWFJFHSA-N 466.586 2.492 30 10 JEEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC(OC[C@H]2CCOC2)CC1 1740961175 NXWONILWVHRLGA-KRWDZBQOSA-N 475.540 2.471 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H](COC)OC)C1 1740980347 JARMVIWLTBLMFC-GUDVDZBRSA-N 481.594 2.029 30 10 JEEE CC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCSCC2)CCN1CCOC 1744999933 CAHWZBRKYUESLV-QFIPXVFZSA-N 469.659 2.413 30 10 JEEE CCOCC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)NC)CC1 1747006988 FRSQFARSJNIBJG-UHFFFAOYSA-N 455.563 2.253 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccccc1S(=O)(=O)N(C)C 1748642965 SBIWJPIJWQAISK-JPYJTQIMSA-N 475.615 2.075 30 10 JEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN([C@@H](C)c2ccc(F)cc2F)CC1 1748732274 XNERIZMOQSETRI-IRXDYDNUSA-N 480.585 2.463 30 10 JEEE C#CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1C[C@H]1CCS(=O)(=O)C1 1748776678 LSWRBXDMPLYGIM-CYBMUJFWSA-N 453.362 2.220 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CC1([S@@](C)=O)CCC1)[C@H]1CCS(=O)(=O)C1 1748809490 UKJRSEORAKDRPR-PKHCJMHPSA-N 474.652 2.435 30 10 JEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1CC1([S@@](C)=O)CCC1)[C@H]1CCS(=O)(=O)C1 1748819106 KRNMEYYIRMGACN-QPHCHLROSA-N 495.070 2.450 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCC1CCC(OC)CC1)[C@H]1CCS(=O)(=O)C1 1748823802 BPLVQSBORFZBMJ-OZURMIIUSA-N 494.658 2.224 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@H](C)N1CCOCC1 1748843043 YQXRWMKZUGXMSH-HXUWFJFHSA-N 473.581 2.029 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2Cc2ccc([C@@H](C)O)cc2)CC1 1749017067 UZCSXFKAAXYYEI-LJQANCHMSA-N 458.566 2.331 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2ccc(F)cc2)C1 1749268501 BUMRKRAVAZMZQK-MSOLQXFVSA-N 485.969 2.081 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)NC(C)C)n1CC1(C(N)=O)CCOCC1 1749540865 CXUQZELEKBUXNM-UHFFFAOYSA-N 458.538 2.030 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cc(C)nc(N3CCCC3)c2)C1 1749697373 JMTPFYUIDYHHBE-AZUAARDMSA-N 489.646 2.022 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1749724502 JXGHMIDFIYBCEO-KRWDZBQOSA-N 491.570 2.228 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@H](C)[C@H]1C 1749730692 NAIHKRIWLYMWBH-JKSUJKDBSA-N 466.633 2.074 30 10 JEEE C=CCSCCn1c(Cc2csc(C)n2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1749761704 DWHSGDQHIHZHJD-OAQYLSRUSA-N 475.644 2.368 30 10 JEEE Cc1cccc(O[C@H](C)Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@@H](C)CC#N)c1 1751436541 HMDKMTPPROFBGZ-NLWGTHIKSA-N 476.603 2.125 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(NC(=O)OC(C)(C)C)COC1 1760100214 SIDKDBUZKKMTBY-UZUQRXQVSA-N 463.579 2.070 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H](N1CCOCC1)C(F)(F)F 1760114295 KIPFZDJMFIHICH-PBHICJAKSA-N 475.475 2.315 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCCCc1nc(C)cs1)[C@H]1CCS(=O)(=O)C1 1760187678 DJKPNZOBDPKOOG-SFHVURJKSA-N 473.628 2.093 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCc1ccc(F)c(F)c1)[C@H]1CCS(=O)(=O)C1 1760188206 NJSPGOKMDIEGEX-ROUUACIJSA-N 464.538 2.320 30 10 JEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCNc1ccccn1 1760200411 HBKLMVCKLNUEDZ-UHFFFAOYSA-N 462.583 2.208 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCc2cc(OC)ccc21 1760210862 YCZYCBAULQTIRS-QUCCMNQESA-N 469.611 2.480 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](OC)c1ccc(Cl)cc1 1760249466 MHNIFJQQTOVMGL-IEBWSBKVSA-N 466.991 2.307 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCOCCCC)CC1 1760267485 NLRXKVMEQJYHGF-UHFFFAOYSA-N 467.570 2.499 30 10 JEEE C=C(Cl)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1760370007 DZLYCKZJUSQZBS-UHFFFAOYSA-N 488.976 2.032 30 10 JEEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1760427690 HGKDOOYRLVJKLK-LJQANCHMSA-N 473.599 2.205 30 10 JEEE C=CCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1760508761 JUAJHGRFZZLQCR-QHCPKHFHSA-N 454.531 2.353 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)Cc1cscn1 1760550624 DKWLFHOMVORDHT-UHFFFAOYSA-N 481.625 2.042 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(=O)NCCC)CC1 1760553271 QMWTWBMVEBTGIZ-UHFFFAOYSA-N 470.599 2.160 30 10 JEEE CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1766368931 GGFUCXLITKONRF-UHFFFAOYSA-N 477.491 2.190 30 10 JEEE N#Cc1ccccc1S(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)nc1 1858293063 DGANRFQELBMCOK-UHFFFAOYSA-N 472.504 2.326 30 10 JEEE N#Cc1cccc(NC(=O)CNC(=O)C[C@H](c2cccc(Br)c2)c2nn[nH]n2)c1 1868164248 DDOSSXPAMOBVIF-MRXNPFEDSA-N 454.288 2.111 30 10 JEEE CC(C)N1C[C@H](c2nnc(SCC(=O)Nc3nccs3)n2/N=C/c2cccn2C)CC1=O 1874333409 OIDUCBDJYDOSCQ-GGPGUOJZSA-N 472.600 2.410 30 10 JEEE CC(C)N1C(=O)CS[C@@H](C(=O)Nc2cnc(N3CCN(C)CC3)nc2)[C@@H]1c1ccc(C#N)cc1 1889421876 ZJSFUFDJNRKOII-FCHUYYIVSA-N 479.610 2.132 30 10 JEEE COc1cc(N2CCN(C(=O)[C@@H]3SCC(=O)N(C(C)C)[C@H]3c3ccc(C#N)cc3)CC2=O)ccn1 1891391573 LMWCWJDGWPGQDU-BJKOFHAPSA-N 493.589 2.231 30 10 JEEE C=C[C@@]1(COc2ncnc(O)c2I)COCCN1C(=O)OC(C)(C)C 2079109338 KAAUPLDLSHGSDQ-INIZCTEOSA-N 463.272 2.358 30 10 JEEE CC1=C(B2OC(C)(C)C(C)(C)O2)CN(C(=O)[C@@]2(NC(=O)OC(C)(C)C)CCS(=O)(=O)C2)CC1 2201803746 WOEFYBSIPPZJJS-JOCHJYFZSA-N 484.424 2.249 30 10 JEEE CC(C)(C)OC(=O)N[C@]1(C(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)C[C@@H](O)C1(C)C 2206615394 YHKUQFRQRFPRSY-CMJOXMDJSA-N 461.368 2.374 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H](C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1)[C@@H]1CCOC1 2206623993 STDRLKBRKGAVAP-NVXWUHKLSA-N 461.368 2.497 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C[C@@H](O)C1 2255709031 QMFQBODSCHKYTD-CQSZACIVSA-N 452.382 2.101 30 10 JEEE CC(C)(C)OC(=O)N1CCOCCN1S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2255950391 MNNMYLSBSRHPJF-UHFFFAOYSA-N 474.410 2.220 30 10 JEEE CC(C)(C)OC(=O)NCCOCCOCCNc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2266735400 DMEGGPGBAAFCSV-UHFFFAOYSA-N 451.373 2.351 30 10 JEEE C[C@@H]1[C@H](NS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CCN1Cc1ccccc1 2267380091 YJYLBJMFOTXUNL-DYESRHJHSA-N 457.405 2.322 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N(C)CCNC(=O)OC(C)(C)C 2267463412 IBTHOCCNKQEDMG-UHFFFAOYSA-N 470.397 2.140 30 10 JEEE CCO[C@@H]1C[C@H](NC(=O)OC(C)(C)C)[C@H]1NC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2267475402 KELRLRHQDRNZAW-BFHYXJOUSA-N 467.397 2.243 30 10 JEEE CO[C@@]1(C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)CCN(C(=O)OC(C)(C)C)C1 2268642901 HDDDWCLBRHGHQZ-NRFANRHFSA-N 467.397 2.085 30 10 JEEE Cc1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@H](O)CNC(=O)OC(C)(C)C 2270443750 DGMMLPTUURQOCY-AWEZNQCLSA-N 452.332 2.049 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1CC(F)(F)CN1C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2278900955 HJXYKJGMUASKDL-GFCCVEGCSA-N 456.299 2.083 30 10 JEEE CC[C@@H]1CN(C(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)CC[C@H]1NC(=O)OC(C)(C)C 2281975182 JHMFHABOQJSFBI-NVXWUHKLSA-N 462.400 2.485 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@]1(F)C[C@H](NC(=O)OC(C)(C)C)C1 2282000777 RZAPOSPSJIWHPC-CAJLXGCNSA-N 466.363 2.153 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H](NC(=O)OC(C)(C)C)C[C@@H](C)C1 2282005956 SCCOUVUEFGFFMZ-ZBFHGGJFSA-N 462.400 2.403 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@]2(CNC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2282018562 YNBKBMYCVJQOOP-CMJOXMDJSA-N 458.368 2.153 30 10 JEEE CCn1cc(C(=O)N[C@@H]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)nc1B1OC(C)(C)C(C)(C)O1 2282044101 RKDNSPBMMIHZJK-ARFHVFGLSA-N 460.384 2.187 30 10 JEEE CC1(C)OB(c2cc(S(=O)(=O)N3CC[C@](C)(NC(=O)C(F)(F)F)C3)ccc2Cl)OC1(C)C 2282501337 WAFRSJPRWTXXGM-SFHVURJKSA-N 496.744 2.471 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCOC[C@H]1NC(=O)OCc1ccccc1 2282589617 PSTYGMHZTDPMMI-VQTJNVASSA-N 498.389 2.016 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H]3[C@H](CCN3C(=O)OC(C)(C)C)C2)n1 2282600171 SQKQTIGPWORDRC-NVXWUHKLSA-N 460.384 2.284 30 10 JEEE C[C@@H](CNC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1)N1CCN(C(=O)OC(C)(C)C)CC1 2282624579 MXGZCRQDMZBLDZ-HNNXBMFYSA-N 480.440 2.113 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2CCO[C@@]2(C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2283960622 ZQXWGHHXOUTCHP-CMJOXMDJSA-N 459.352 2.345 30 10 JEEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)C(=O)[C@H]1COC[C@@H]1NC(=O)OC(C)(C)C 2284026911 GKNCYQRASBLNNA-OALUTQOASA-N 460.380 2.484 30 10 JEEE C[C@@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)C1(O)CCC1)c1nscc1B1OC(C)(C)C(C)(C)O1 2284068333 CIRVIBBQDZIVFO-CJNGLKHVSA-N 481.424 2.428 30 10 JEEE CC(C)N1C[C@H](c2nnc(SCC(N)=O)n2N=Cc2ccc(Br)cc2)CC1=O 2329013418 LSXIBWYJWZZPLA-CYBMUJFWSA-N 465.377 2.225 30 10 JEEE C=C(CS(=O)(=O)N[C@@H]1C[C@@H]2OCCN(C(=O)OC(C)(C)C)[C@H]2C1)B1OC(C)(C)C(C)(C)O1 2343103116 CSVQPMBZIXDEAM-ULQDDVLXSA-N 472.413 2.260 30 10 JEEE Cn1nc(C(=O)N[C@H]2C[C@@H]3C[C@@H](NC(=O)OC(C)(C)C)[C@@H]3C2)cc1B1OC(C)(C)C(C)(C)O1 2359279736 YPMRFRAWKBNPTP-QKPAOTATSA-N 460.384 2.141 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@H]2C[C@@H](NC(=O)c3occc3B3OC(C)(C)C(C)(C)O3)C[C@H]21 2369088397 JEHOPGKSBUJMNV-USXIJHARSA-N 462.352 2.476 30 10 JEEE COc1ccc(C(=O)COC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1OC 729970331 BPDXQJADNIFIKU-UHFFFAOYSA-N 472.519 2.402 30 10 JEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CC3(CCOCC3)[C@H]2c2cnn(CC(C)C)c2)c1 849526586 DFDCOEPSLCINGA-JOCHJYFZSA-N 470.595 2.445 30 10 JEEE C#Cc1cccc(NC(=O)NC(=O)CN2C[C@@H](NC(=O)OC(C)(C)C)[C@H](c3cnn(C)c3)C2)c1 1171416520 CJTVODXFMJFLTE-VQTJNVASSA-N 466.542 2.042 30 10 JEEE CNS(=O)(=O)c1cccc2c1CCN(S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N)C2 1211828658 BPIMFAIOTHBQOE-UHFFFAOYSA-N 459.471 2.232 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CC1(C)CCOCC1)[C@H]1CCS(=O)(=O)C1 1286388324 NJFHYRMFXKCVBK-IBGZPJMESA-N 458.584 2.397 30 10 JEEE C#CCN(c1nnc(CC2CCCC2)n1Cc1cccc(C(=O)N(C)C)c1)[C@@H]1CCS(=O)(=O)C1 1286391414 IENFPKJARAOOBS-JOCHJYFZSA-N 483.638 2.388 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H](C(C)C)N1CCOCC1 1286404297 PMMFCKZKTKNOTC-IBGZPJMESA-N 459.392 2.465 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(C)n(C)c1=O 1286427514 IUEFBSSFIMQGCV-OAQYLSRUSA-N 494.596 2.105 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1Cc1cccc(NC(=O)[C@H]2CCCO2)c1 1286467678 SOAAYQDGQNMMHI-PZJWPPBQSA-N 453.543 2.034 30 10 JEEE C#CCN1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2CCCCCS(C)(=O)=O)CC1 1286483468 LSGFCBGMQHGFTK-UHFFFAOYSA-N 468.627 2.320 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3OCC)n2C[C@@]2(N(C)C)CCSC2)CC1 1286484677 VABLVWBNOCUWHO-VWLOTQADSA-N 484.670 2.448 30 10 JEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC(O)(Cc2ccccc2F)CC1 1286494592 NVEXLGMOMAOPEA-UHFFFAOYSA-N 459.591 2.496 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC2(OC)CCCCC2)CC1 1286495533 YMTOUMZMQNDTSK-SFTDATJTSA-N 473.618 2.317 30 10 JEEE C#CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1286509187 NOOZRMPZFVIPKB-HXUWFJFHSA-N 491.639 2.065 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCCO2)n1C[C@]1(O)CCS(=O)(=O)C1 1286749210 NFGYXHPUVLWMQM-FXAWDEMLSA-N 452.602 2.323 30 10 JEEE C[C@@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1CCCN(C)CC(F)(F)F 1291193462 CERHIICFELYYIG-MRXNPFEDSA-N 479.507 2.280 30 10 JEEE CC#CCS(=O)(=O)c1cccc(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c1 1291871720 YMNCROJJLNQXAT-FQEVSTJZSA-N 453.564 2.115 30 10 JEEE CCC[C@H](C)C(=O)NCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1293861611 FLXRYNDCSMLFOJ-PXNSSMCTSA-N 496.591 2.119 30 10 JEEE CCC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCS(=O)(=O)C2)CCN1CCOC 1294066099 FQQREBIGOCOHEO-IFMALSPDSA-N 486.642 2.189 30 10 JEEE C#CCN(c1nnc(CC2CCCC2)n1CCNC(=O)c1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1300502397 SNJIGKHQTKDBKC-OAQYLSRUSA-N 499.637 2.076 30 10 JEEE C#CCN(c1nnc(COCC)n1CC[C@@H]1CCOc2ccccc21)[C@@H]1CCS(=O)(=O)C1 1300504889 VHSSENSXALIGBK-RTBURBONSA-N 458.584 2.398 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2CCc2noc(CC)n2)CC1 1300718670 DQLXETFWVSOWFT-UHFFFAOYSA-N 451.506 2.238 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4ccccc4n3)n2CCC(=O)NC(C)C)CC1 1300719207 RPKALYVNWNJAKF-UHFFFAOYSA-N 473.581 2.374 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](C)N(C)Cc2ccccc2)CC1 1300724859 CURCGFRUASHQIR-NFBKMPQASA-N 464.614 2.268 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1300935263 OOKMTNCPNBTNJZ-HSZRJFAPSA-N 485.614 2.257 30 10 JEEE C=C(C)COCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCO[C@@H](COC)C1 1300990246 CWTAFFZQEGXXGM-GOSISDBHSA-N 468.558 2.119 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(F)cc(F)c(F)c1F)C1CC1 1301326579 COXJVODTOFNBCE-INIZCTEOSA-N 489.495 2.371 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1CCCN1CCC(O)CC1 1301339421 NZTFJGVIZFAWTJ-JOCHJYFZSA-N 463.586 2.140 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)cc1 1301520716 MLIJXLGOKXKLMF-LJQANCHMSA-N 482.566 2.162 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](OC)C(C)(C)C1 1301529182 IBQIBCWJVMLKOD-LPHOPBHVSA-N 463.604 2.363 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1301540063 ZFTFKCXQNRGNIP-ZWDAVXSWSA-N 497.017 2.402 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2CCNC(=O)c2cc[nH]n2)C1 1301556344 HTYWUPIDNAXRTQ-HNNXBMFYSA-N 457.485 2.082 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]1c1cccc(C)c1 1301588913 LTHCTBJCEIMKMY-PMACEKPBSA-N 478.640 2.431 30 10 JEEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(c2nc(CC)ns2)CC1 1301618691 VPRIFKYVKXWWMP-UHFFFAOYSA-N 462.649 2.060 30 10 JEEE C[C@H]1CCCN([C@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)C1 1305023358 GQHPCCYMNAFLEU-ZCNNSNEGSA-N 485.658 2.407 30 10 JEEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(C(C)(C)C)n1CCCC(=O)NC1CC1 1305120180 CIFZFGWHELGDQJ-INIZCTEOSA-N 451.579 2.011 30 10 JEEE CCN(CC)[C@@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1313656892 HIULDMJZPCBFEN-SFHVURJKSA-N 473.647 2.407 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1(N2CCOCC2)CC1 1358870910 WNGZDWVMUZINBX-KRWDZBQOSA-N 456.978 2.184 30 10 JEEE C#CCN(c1nnc(C2CCCC2)n1CC1CN(C(=O)OC(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1 1358961912 HENHNQVVKXZVAY-IBGZPJMESA-N 477.631 2.429 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCO3)n1CC1(NC(=O)OC(C)(C)C)COC1 1358989427 BPNFSCOJJKDXOC-UHFFFAOYSA-N 479.537 2.430 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCc2ccc(OC)c(OC)c2)CC1 1359029258 SDZZHFXJIPIPJL-UHFFFAOYSA-N 489.580 2.331 30 10 JEEE C#CCSCCn1c(COc2ccccc2F)nnc1N1CCN(c2cnn(C)c2)CC1 1359061007 NYMNQOQOWYGPAG-UHFFFAOYSA-N 455.563 2.423 30 10 JEEE C#CCSCCn1c(N2CCCC[C@H](S(C)(=O)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1359062082 VPPGSSADXQXFMO-RXVVDRJESA-N 470.661 2.089 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCCNS(C)(=O)=O 1359069088 AQWYGPYEVJCAFN-XMMPIXPASA-N 497.625 2.167 30 10 JEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccc(CN3CCOCC3)c2)CC1 1359174208 XXUVWELKLYHPOA-IBGZPJMESA-N 488.658 2.171 30 10 JEEE C=CC1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1359174417 CEEOFZGCNKXBNN-NRFANRHFSA-N 468.526 2.499 30 10 JEEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1359202859 CYYPNAKBGULZJM-IAGOWNOFSA-N 494.584 2.040 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@H]2CCCO2)C1 1359315376 SXLDWOABQLGWTR-RBUKOAKNSA-N 461.588 2.156 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1Cc1cccnc1OCC(F)(F)F 1359476306 BCMNLJYPVXDKHY-AWEZNQCLSA-N 451.453 2.381 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1 1359557129 DAGAVWYKLYVDSJ-ZOCZFRKYSA-N 482.582 2.022 30 10 JEEE CC(C)CN1CCO[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(S(C)(=O)=O)CC2)C1 1360034006 BBYXNLXSWJBGMN-OAQYLSRUSA-N 486.642 2.187 30 10 JEEE CCN(CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1)C(C)C 1502188687 BCYGCVUPBPHZQR-UHFFFAOYSA-N 473.647 2.407 30 10 JEEE C#CCCCn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1507593895 JHKUVLDUQXLJSJ-UHFFFAOYSA-N 464.614 2.230 30 10 JEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCN1C[C@H](C)O[C@H](C)C1 1507605129 QAWDSMFGAUTKPS-HDICACEKSA-N 473.647 2.115 30 10 JEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@H](C)c1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1507622691 KSLDKGDSRWKXCU-PZJWPPBQSA-N 469.611 2.253 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H]1CCC[C@H](O)C1)[C@@H]1CCS(=O)(=O)C1 1507623766 WYYGCUJFIVBGNZ-FCEUIQTBSA-N 499.637 2.325 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1C[C@H](C)Oc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1507633271 CPJBAOGRVOYHKL-PKOBYXMFSA-N 458.584 2.333 30 10 JEEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 1507640137 PWTYUFUYNYJOKL-HKUYNNGSSA-N 464.975 2.316 30 10 JEEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)CN1CCOCC1 1507691880 OXKGXTDBUQPZAQ-VQTJNVASSA-N 476.622 2.014 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCc2cccc(C)n2)CC1 1507721171 PLWQMJZVMKKPKT-UHFFFAOYSA-N 464.595 2.050 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCc2ccsc2)CC1 1507740812 PQZYTTUTGQNNKL-UHFFFAOYSA-N 451.600 2.410 30 10 JEEE C=C(C)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1507829787 LJFQYLJCXSETTD-KRWDZBQOSA-N 487.605 2.489 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C(F)(F)F)C1 1507867995 CNVJJQPPFUOAGD-STQMWFEESA-N 457.906 2.142 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc(CN2CCCC2=O)n1C[C@@H](C)N1CCOCC1 1508006900 XNSUQUUWVSUHKF-LJQANCHMSA-N 456.566 2.453 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@]2(CCOC2)C1)C(C)C 1508014711 WOIDVKIBBBBYFP-ZJSXRUAMSA-N 455.607 2.373 30 10 JEEE CC(C)NS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1509779657 AAWLYJVQZJXFMM-INIZCTEOSA-N 499.563 2.217 30 10 JEEE C#CCn1ccc(CN(CCOC)C(=O)c2cnn(C(C)C)c2I)n1 1531363767 KVWBLGQRZVRSHN-UHFFFAOYSA-N 455.300 2.187 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1Cc1ccc(COC)cc1)[C@H]1CCS(=O)(=O)C1 1539210703 FXWCSFAIOJHUEV-FQEVSTJZSA-N 453.568 2.105 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@](C)(O)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 1539230226 DWIAFYUNRDLCMU-JQVVWYNYSA-N 450.605 2.088 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@]1(C)CN(C2CC2)C1=O 1539422709 IIGYREFKLKTYMM-ATLLOTDBSA-N 486.617 2.146 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2C[C@H](C)O[C@H](C)C2)CC1 1539459564 JZWSWFDHMLRRPG-REPLKXPHSA-N 456.616 2.228 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2Cc2cccc(Br)n2)CC1 1539484627 XABXQEXVSXJMIA-UHFFFAOYSA-N 494.397 2.436 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(CS(C)(=O)=O)cc1 1539670163 YBUXSKJRTJCXIU-LJQANCHMSA-N 466.629 2.176 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1539917869 XXAQKMPSCOAWNK-JYJNAYRXSA-N 495.568 2.369 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Cc1ccc(OC)cc1 1540071890 IITNZBYMBCMFQS-PXNSSMCTSA-N 463.604 2.121 30 10 JEEE C=CCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC(CCC(N)=O)CC2)cc1 1540877881 IPZMKRZCZRAZIV-HXUWFJFHSA-N 452.559 2.324 30 10 JEEE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3cccc(C#N)c3)n2CCN2CCOCC2(C)C)C1 1540937706 FNFOLPJNMXYZOH-NRFANRHFSA-N 465.602 2.232 30 10 JEEE CC(C)(C)c1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CC(=O)NCC2CC2)cc1 1541143232 BPAKRLGLRUVUML-FQEVSTJZSA-N 452.559 2.410 30 10 JEEE COCCNC(=O)[C@@H]1CN(C(=O)c2ccc(OC)nc2)CCN1c1ccc(C#N)c(C(F)(F)F)c1 1548367999 FDWUXHAJTHBEBS-IBGZPJMESA-N 491.470 2.074 30 10 JEEE COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCC2(CCCCC2)O1 1555557800 CXAUEXRHOWWXNH-OALUTQOASA-N 465.620 2.429 30 10 JEEE CC(C)(O)CC[C@H](O)[C@](C)(O)[C@@H]1CC[C@]2(O)C3=CC(=NO)[C@@H]4C[C@H](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@]12C 1565518693 CBQFTGKSOCYQEV-CIIQTGEOSA-N 495.657 2.115 30 10 JEEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC(=O)NCCO 1566308579 YMCPXKLAVSLIAF-QFIPXVFZSA-N 451.523 2.085 30 10 JEEE C#CCNC(=O)CN1CCCN(C(=O)CCCCOc2ccc(Br)cc2)CC1 1584999848 BDODGLQFHRSUII-UHFFFAOYSA-N 450.377 2.282 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 1587662500 NVCBXOCPGXGHGA-IRLDBZIGSA-N 450.587 2.150 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1CCN(CC)CCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1588029021 CDFYMLBGZJZYIN-INIZCTEOSA-N 463.570 2.477 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCc1ccc(F)cc1C)[C@@H]1CCS(=O)(=O)C1 1588029446 IBUYSTCHVRFRIN-HXUWFJFHSA-N 496.568 2.242 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Cl)n1CCCN1CCOC1=O)[C@H]1CCS(=O)(=O)C1 1588045898 SZCXDDTVSYWLJY-INIZCTEOSA-N 477.974 2.068 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1CCc1sc(C)nc1C)[C@@H]1CCS(=O)(=O)C1 1588051128 ZVKIKSNDLVEOTQ-GOSISDBHSA-N 456.597 2.283 30 10 JEEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cccc(N(C)C)c1 1588628474 JNDSFTQIUCKIEE-UHFFFAOYSA-N 481.626 2.439 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H]2CCN(CC)C2)CC1 1588885335 VNBAHLBQBWGEEN-OAQYLSRUSA-N 491.640 2.455 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](C)Oc2cccc(C)c2)CC1 1588924315 ZMRIKEHUMICGRC-IBGZPJMESA-N 461.570 2.420 30 10 JEEE C=CCC(C)(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1594472419 DSFPNJPTWFDFQD-GOSISDBHSA-N 499.645 2.289 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CCCS(=O)(=O)C1 1595132950 AUCVCRSRYYOQIE-VQIMIIECSA-N 461.563 2.386 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@](O)(c1ccccc1)C(F)(F)F 1595296598 GSLGRFVXBUYCBO-UZLBHIALSA-N 453.465 2.318 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1595776589 BTJCFGJXHANZSI-SIKLNZKXSA-N 489.642 2.102 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1595831159 MIEYHYNQYFEKAU-ZQAYVECASA-N 482.647 2.182 30 10 JEEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N(C)CC(=O)N1CCC[C@@H](C(=O)OCC)C1 1606617230 XFVLUNQICQYDQX-GOSISDBHSA-N 454.527 2.311 30 10 JEEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(C(C)(C)C)n1CCC(=O)N1CCCCC1 1612882576 AGRZLNUQKZFDHV-SFHVURJKSA-N 465.606 2.355 30 10 JEEE CC(C)[C@H](N/C=C1/C(=O)Oc2ccccc2C1=O)C(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 1615248991 IQHJGGLBCFGABZ-SSOMIZNHSA-N 461.518 2.094 30 10 JEEE CCN(CC)[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1615451729 CCDWONWJGIHFJP-GOSISDBHSA-N 459.620 2.019 30 10 JEEE CNc1ccc(C#N)cc1NC(=O)C1CCN(S(=O)(=O)c2ccccc2C(=O)OC)CC1 1617675772 GIJFURXDKRTFTD-UHFFFAOYSA-N 456.524 2.426 30 10 JEEE CO[C@@H](C)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1618946855 GXFDCPKRWNTGJN-IRXDYDNUSA-N 466.521 2.408 30 10 JEEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(N(C)C)nc2)CCO1 1619753558 CPAATFLKCCCPEK-NRFANRHFSA-N 463.542 2.090 30 10 JEEE 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 1626456790 WKYXUMVDUQNTDS-YDZRNGNQSA-N 456.605 2.383 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1ccc(OC)nc1 1649538298 BKIVYMKNZLRYRP-HNNXBMFYSA-N 453.572 2.456 30 10 JEEE Cc1ccc(S(=O)(=O)NC[C@H](NS(=O)(=O)N(C)CCC#N)c2ccccc2)c(C)c1 1660240728 GQSQOUSBBWXFHU-IBGZPJMESA-N 450.586 2.003 30 10 JEEE C=C(C)CN(Cc1ccc(CO)o1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 1669146986 BMPLPFIRWGXIBH-UHFFFAOYSA-N 454.570 2.323 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1Cc1csc(CC)n1)[C@@H]1CCS(=O)(=O)C1 1689997304 ZUAHFBXCBCWWMV-LJQANCHMSA-N 496.618 2.423 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1snnc1C 1690093564 CJCXVOROIRYPHN-UHFFFAOYSA-N 459.963 2.156 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)(C)C)n2CC(C)(C)N2CCOCC2)n1 1690108319 UOAIHKYLYHXXFZ-UHFFFAOYSA-N 457.623 2.169 30 10 JEEE C#CCN1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2C[C@H](C)N(CC)CC)CC1 1690113852 WKZREQPBOUCWCW-IBGZPJMESA-N 486.690 2.032 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(F)cc2)CC1 1690236432 MNNIBTAPTHSYHQ-OPYAIIAOSA-N 492.621 2.335 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCOc2ccccc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1690251009 OCBDSYDPPUEUIG-BWKNWUBXSA-N 482.629 2.091 30 10 JEEE C=C(C)COCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@H](NC(=O)CC)C1 1690310093 TXUIEMMQMNVLDV-SFHVURJKSA-N 479.585 2.280 30 10 JEEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C2CC2)C1 1690328578 MTOXEHDJQHUQQZ-VNQPRFMTSA-N 489.042 2.380 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCCCS1(=O)=O 1690603793 IHBZLVILCROPEZ-UXHICEINSA-N 457.600 2.432 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2C[C@H](F)COC)C1 1690696928 LVWZUUJONRLALI-JKSUJKDBSA-N 452.556 2.004 30 10 JEEE CC(C)Cc1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCS(=O)(=O)NC(C)C 1692215736 CIGZEHKCGLWENT-UHFFFAOYSA-N 459.620 2.003 30 10 JEEE CO[C@](C)(Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1)C1CC1 1697097980 FJEVWNTUKCEWNM-HSZRJFAPSA-N 472.615 2.492 30 10 JEEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1705544401 PCGWZZDRDGLJFP-OALUTQOASA-N 497.575 2.386 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccccc1-c1cnn(C)c1 1705572832 QGHRNAYEBNKRAT-UHFFFAOYSA-N 450.506 2.447 30 10 JEEE C#CCN1CCN(c2nnc(CSc3ccccc3OC)n2Cc2cnn(C)c2C)CC1 1705643663 OIKSSAFIYHACGQ-UHFFFAOYSA-N 451.600 2.424 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCOc1ccc(C)cc1 1705674662 NTPZBKFWGKLTEK-XUZZJYLKSA-N 487.626 2.381 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(=O)C(C)C)CC1 1705897774 UAKSCZIZHXECON-KRWDZBQOSA-N 458.538 2.164 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2(C(=O)NCC)CCC2)C1 1705919648 HYAMGJHOPUBMHL-LJQANCHMSA-N 487.626 2.436 30 10 JEEE CC(=O)N1CCC(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CCNC(=O)C(C)C)CC1 1705970389 FXOXELQUYOIQFI-UHFFFAOYSA-N 481.601 2.196 30 10 JEEE C#CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1722322421 SIYXJWGIGJMIGP-UHFFFAOYSA-N 472.615 2.421 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CCc1nc(C)c(C)s1)[C@@H]1CCS(=O)(=O)C1 1722364171 DWVDOBZAHBRCMK-LJQANCHMSA-N 470.624 2.207 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@@](C)(O)c2cc(C)oc2C)CC1 1722444547 ATNPFXVXLMLZSC-RUZDIDTESA-N 462.554 2.423 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCCOC(C)C)CC1 1722447892 OWBZMJQHYWLNQK-UHFFFAOYSA-N 494.644 2.233 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1722518192 WSFBGAPPYPNTIQ-GUDVDZBRSA-N 453.653 2.470 30 10 JEEE C=C(Cl)Cn1c(CCOc2ccccc2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1722555639 XHHYUOPAMXNFNJ-QFIPXVFZSA-N 458.950 2.467 30 10 JEEE C=CCC(C)(C)Cn1c(Cc2cn3ccccc3n2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1722592103 QYVQMFANIODCOY-IEBWSBKVSA-N 452.559 2.479 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1722693399 MIKXQOKYBFKEAD-VQIMIIECSA-N 476.528 2.006 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1722727429 OLQBDDBBNHJZHZ-UHFFFAOYSA-N 476.603 2.232 30 10 JEEE COCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1730731197 FEVMKMCIGBDDSZ-UHFFFAOYSA-N 492.584 2.090 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@H]1CCCN1S(C)(=O)=O 1740536894 OGILCVCRAQRGBV-FUHWJXTLSA-N 453.572 2.217 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](OC)C(C)C)[C@H]1CCS(=O)(=O)C1 1740619808 LKGLKDVHEFFLBK-DLBZAZTESA-N 451.980 2.291 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2csc(C)c2)CC1 1740703441 SQHCSILYKBPQGB-QHCPKHFHSA-N 457.600 2.314 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@H]2CCN(CC)C2)CC1 1740704507 RBMOJJNHFYWKDP-LJQANCHMSA-N 450.587 2.261 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CCc2nccc(C(F)(F)F)n2)CC1 1740707112 PBRWRLPESBUNJB-UHFFFAOYSA-N 498.513 2.281 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2Cc2cccc(OC)c2OC)CC1 1740707294 XBGWSBIXOXOFAP-UHFFFAOYSA-N 474.565 2.295 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@H]2CCOC[C@H]2OC)CC1 1740707407 AZXONHGIUUVDQL-DENIHFKCSA-N 485.560 2.014 30 10 JEEE C#CCSCCn1c(Cc2ccsc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1740720976 SNZRTCMJAQVWJQ-IBGZPJMESA-N 458.657 2.040 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1740744275 QPCAOYBCAOAMCT-MRXNPFEDSA-N 475.395 2.321 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCCN(c2nc(C)ns2)CC1 1740750063 LASZLXHHXAWINM-ZWKOTPCHSA-N 474.635 2.274 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1740778668 QIOAPKUSQQXVRY-KRWDZBQOSA-N 478.582 2.301 30 10 JEEE C=C(C)COCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1740788073 OUQWLXUAPGMUHZ-QGZVFWFLSA-N 467.567 2.232 30 10 JEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCN(CC)CCC(F)(F)F)CC1 1740818829 WAGQLIVLAWGPHK-OAHLLOKOSA-N 452.547 2.319 30 10 JEEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 1740886090 VLZVXGUWKBURIU-QUCCMNQESA-N 458.607 2.297 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN(c2ccccc2OC)CC1 1740989241 GDHIXFBKAJDUHS-UHFFFAOYSA-N 468.583 2.276 30 10 JEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1741002716 LMANXXMFGUJLLG-CYBMUJFWSA-N 476.550 2.335 30 10 JEEE CCC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CCO1 1745355371 AGICCRCXRXQZAN-TZIWHRDSSA-N 488.614 2.016 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CCCC3)n2CCN2CCN(C(C)=O)CC2)c1 1748694832 QDTMIXSIXYVRNL-UHFFFAOYSA-N 491.640 2.231 30 10 JEEE C#CCCCn1c(Cc2ccccc2OC)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1748756442 MPDZRYKUKMRTSQ-NFBKMPQASA-N 464.614 2.280 30 10 JEEE C#CCN(C)c1nnc(Cc2cccnc2)n1C[C@@H]1C[C@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1748794181 XYZGGMLRYCPFID-UFYCRDLUSA-N 452.559 2.358 30 10 JEEE C#CCN(c1nnc(C(C)C)n1Cc1cc2c(cc1OC(F)F)OCO2)[C@@H]1CCS(=O)(=O)C1 1748801788 GRXCJRVFYYAAAW-OAHLLOKOSA-N 482.509 2.407 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC[C@H](OCC)C(C)C)[C@H]1CCS(=O)(=O)C1 1748817990 UJYCALOSPCBBCP-AABGKKOBSA-N 452.621 2.250 30 10 JEEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1Cc1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 1748820403 BENUMUFDXKTGHH-LJQANCHMSA-N 483.619 2.253 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC2(S(C)(=O)=O)CCCC2)CC1 1748978995 SRADAVCCSAQTCV-UHFFFAOYSA-N 495.447 2.148 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H](c2ccccc2)N(C)C)CC1 1749009775 LJIJAFQJQSPLIN-XZOQPEGZSA-N 464.614 2.441 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@H](CC)NC(=O)OC(C)(C)C)CC1 1749019123 LVJYNHHOUSIZTC-SFHVURJKSA-N 462.595 2.084 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1749143725 LIPGDRCLFCVZQU-BZSNNMDCSA-N 456.657 2.179 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(O)(Cc2ccccc2F)CC1 1749230482 XUUTZFZZCUMDPO-HXUWFJFHSA-N 492.617 2.486 30 10 JEEE C=C(C)COCCn1c(COc2ccc(OC)cc2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1749239665 NQKARBMVYDNOMJ-XLIONFOSSA-N 457.531 2.393 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CC[C@H](CN(CC)CC(F)(F)F)C1 1749664262 IQMYTQUKTWHNEI-MRXNPFEDSA-N 451.497 2.353 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1749696685 WJJUODRPPRCISA-QUCCMNQESA-N 461.588 2.159 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccccc2S(=O)(=O)N(C)C)C1 1749717964 RUCGPBPWMATEFH-OAQYLSRUSA-N 499.641 2.220 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]1c1cccc(F)c1 1749734973 PADKSUTUOAQPDH-MJGOQNOKSA-N 482.603 2.262 30 10 JEEE C[C@H]1CCC[C@@]1(O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)[C@H](C)CC#N 1751091347 HIHVUUVFLKSGHU-GSHUGGBRSA-N 460.604 2.485 30 10 JEEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2cc(F)ccc2OC)CC1 1760143728 PRQSFTLCPPQKIS-UHFFFAOYSA-N 454.550 2.397 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CC(=C)Br)[C@@H]1CCS(=O)(=O)C1 1760185191 RVEATPKWVIIREI-QGZVFWFLSA-N 460.357 2.352 30 10 JEEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCNC(=O)c1occc1C 1760232025 QHHGHBIBIORSOR-UHFFFAOYSA-N 483.598 2.419 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC)n2C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 1760269917 GVAYMSICQAMCFA-SFHVURJKSA-N 458.607 2.453 30 10 JEEE C=C(Br)Cn1c(N2C[C@H](CC)[C@H](N3CCOCC3)C2)nnc1[C@@]1(OCC)CCOC1 1760313927 HSOTYCKIWDJECD-WAOWUJCRSA-N 484.439 2.386 30 10 JEEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1scnc1C 1760427989 MUDIPAWAIDLCJF-MRXNPFEDSA-N 454.622 2.369 30 10 JEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](OCCCc2ccccc2)C1 1760510363 VADHJSURWNSAHV-SFTDATJTSA-N 475.615 2.025 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCCN(C(=O)c2ccccc2F)CC1 1760521460 TWBPRQAWMXTDFQ-UHFFFAOYSA-N 477.544 2.442 30 10 JEEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1c(F)cccc1F)N(C)C 1761362749 HTKJROHMYFTTRE-RVKKMQEKSA-N 466.558 2.500 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@@H]2c2ccc(O)c([N+](=O)[O-])c2)cc1OC 1862580127 YEJIZBPSDNUBOQ-HXUWFJFHSA-N 485.449 2.032 30 10 JEEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1cccc(OC)c1 1865724747 WYKUQWKTFIGBIG-SFHVURJKSA-N 470.570 2.264 30 10 JEEE C=CCN(CC=C)C(=O)[C@H](NC(=O)c1ccc2c(c1)C(=O)N(CCCN(C)C)C2=O)C(C)C 1868610381 AGJIOPLVUUCMOP-OAQYLSRUSA-N 454.571 2.189 30 10 JEEE C=CCNC(=O)C1CCN(C(=O)[C@H]2CC(=O)N(C[C@H](c3ccccc3)N3CCCC3)C2)CC1 1872941464 NJGVDXFJVUYDEM-XZOQPEGZSA-N 452.599 2.213 30 10 JEEE COCCN1CC(=O)C(c2nc(C)cs2)=C1NC(=O)[C@@H](CC(C)C)N1C(=O)c2ccccc2C1=O 1873710888 XWQHJUWIWPYIHZ-GOSISDBHSA-N 496.589 2.478 30 10 JEEE COc1ccc(N2C[C@@H](c3nnc(SCC(N)=O)n3/N=C/c3ccc([N+](=O)[O-])cc3)CC2=O)cc1 1874199248 JQBAPOXFBNOAPW-OWLNGIFZSA-N 495.521 2.175 30 10 JEEE Cc1cc(C)c(C)c(S(=O)(=O)NCc2ccc(C(=O)NCC#CCN3CCOCC3)cc2)c1C 1891306094 IRXXLHMJGACWIR-UHFFFAOYSA-N 483.634 2.464 30 10 JEEE C[C@H](C#N)OCCS(=O)(=O)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1990657103 DHUPXXWQZNEPMP-QVKFZJNVSA-N 472.519 2.322 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1CO 2060127496 JAKLAIBXFHAZBS-BRWVUGGUSA-N 454.568 2.308 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)CC[C@@H]1CO 2060134559 AQLCOEJAAWKQCG-BRWVUGGUSA-N 454.568 2.308 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@@H](OCC(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2180992348 YVOUOFMFGOEDMV-MRXNPFEDSA-N 462.356 2.130 30 10 JEEE CC1(C)OB(c2c[nH]c(C(=O)N3C[C@H]4C[C@H]3[C@H]4NC(=O)OCc3ccccc3)c2)OC1(C)C 2247864721 KEEZWXSYRRSFSY-UXPWSPDFSA-N 451.332 2.453 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H]1NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2247950262 DHJRVVHQJHHGQB-GXTWGEPZSA-N 458.411 2.239 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H]1CNS(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2255753912 TXGXOXUVJIEBIZ-MRXNPFEDSA-N 452.382 2.274 30 10 JEEE COC[C@@H](ONC(=O)OC(C)(C)C)C(=O)NCc1sccc1B1OC(C)(C)C(C)(C)O1 2256619525 ZUSIRMMLBKUIMZ-CQSZACIVSA-N 456.370 2.135 30 10 JEEE CN(CCNC(=O)OC(C)(C)C)CC(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)cs1 2256675635 RYAQCRQHGUUFQC-UHFFFAOYSA-N 453.414 2.120 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)C2(B3OC(C)(C)C(C)(C)O3)CCC2)CC1 2267000115 SQZSHHOINWEWOT-UHFFFAOYSA-N 451.373 2.198 30 10 JEEE Cc1nc(C(=O)N2CC[C@H](NC(=O)C(F)(F)F)C[C@@H]2C)c(B2OC(C)(C)C(C)(C)O2)s1 2267165674 IODWQNDGAVEVHL-JQWIXIFHSA-N 461.315 2.422 30 10 JEEE Cc1cc(C(=O)NC2(CCO)CN(C(=O)OC(C)(C)C)C2)sc1B1OC(C)(C)C(C)(C)O1 2267216201 OOUAVZFSKRKPSZ-UHFFFAOYSA-N 466.409 2.457 30 10 JEEE CC[C@@H](CN(C)S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1)NC(=O)OC(C)(C)C 2267367703 XOEFOVNWBFBQAJ-INIZCTEOSA-N 469.413 2.305 30 10 JEEE CC(C)(C)OC(=O)N[C@]1(CNS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)CCOC1 2267368850 PAEVVGWIFAGQCU-FQEVSTJZSA-N 488.437 2.009 30 10 JEEE CC[C@H](CN(CC)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1)NC(=O)OC(C)(C)C 2267537763 RKLTVBKHQSUWFI-OAHLLOKOSA-N 450.389 2.485 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)Nc1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)n1 2268633553 CXVUTDUXOHUTBB-TZMCWYRMSA-N 467.759 2.343 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@](C)(C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C1 2268656516 XZUZQTXUXXMFNQ-NRFANRHFSA-N 467.397 2.085 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C12CCC2 2268707318 UXRQZGLAKQPCAL-STQMWFEESA-N 464.397 2.281 30 10 JEEE CO[C@H](CNC(=O)OC(C)(C)C)C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2269688344 HYXCCEDYAJEDFK-QGZVFWFLSA-N 452.332 2.281 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2OCC[C@]2(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C1 2278894327 VJNNQUWPINEWNS-ASSNKEHSSA-N 465.381 2.407 30 10 JEEE CC(C)(C)OC(=O)N1CC(N2CCN(C(=O)c3cscc3B3OC(C)(C)C(C)(C)O3)CC2)C1 2281805821 DKVLZNXWVMPFSW-UHFFFAOYSA-N 477.436 2.424 30 10 JEEE Cn1ncc(C(=O)N[C@]23CCC[C@H]2N(C(=O)OC(C)(C)C)CC3)c1B1OC(C)(C)C(C)(C)O1 2281817392 LHZKTEZOACSCOY-MWTRTKDXSA-N 460.384 2.381 30 10 JEEE CCc1nc(C(=O)NC[C@@H]2CNCCN2Cc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)s1 2282021516 NPKWMTSLBNHXIW-SFHVURJKSA-N 470.448 2.209 30 10 JEEE C[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1S(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2282349388 YAROOIAAABHDJG-HIFRSBDPSA-N 476.326 2.206 30 10 JEEE CC(C)(C)OC(=O)N1CC(O)(CCNC(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2F)C1 2282400963 KKHDSDWEQUSTQG-UHFFFAOYSA-N 464.343 2.227 30 10 JEEE C[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2CN1C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282552454 KFEDALRTMQOVMS-OWCLPIDISA-N 460.384 2.047 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@H]2CCN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)sn3)C[C@H]21 2282604278 QZWMBVOSSBUXJM-HZPDHXFCSA-N 479.408 2.293 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CC12CCC2 2283062487 SMUBJJLRHPUPSR-OAHLLOKOSA-N 458.368 2.438 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)N1Cc2cccc(B3OC(C)(C)C(C)(C)O3)c2C1 2283925775 DXMJOPBYGHCLQT-LJQANCHMSA-N 458.364 2.464 30 10 JEEE CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1scc(C)c1B1OC(C)(C)C(C)(C)O1 2283955031 CGCQHJQZWNOKCE-MRXNPFEDSA-N 482.408 2.428 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)OC(C)(C)C1 2283979404 NCJNNRXTCLIJIR-OAHLLOKOSA-N 481.424 2.473 30 10 JEEE CN(C(=O)OC(C)(C)C)[C@@H]1COC[C@@H]1C(=O)NCc1ccccc1B1OC(C)(C)C(C)(C)O1 2283983150 GQTNFOKJJNZCSZ-PKOBYXMFSA-N 460.380 2.484 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)CO1 2284069152 MSZGBQSLRBDUDG-LSDHHAIUSA-N 481.424 2.378 30 10 JEEE COc1ccc(C(O)=C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccccn2)cc1OC 2296565668 DNZMJSFXBMPFPO-JOCHJYFZSA-N 467.522 2.243 30 10 JEEE CC(=O)NS(=O)(=O)c1ccc(NC(=O)C(=O)C=Cc2ccc(Br)cc2)cc1 2325535510 OXZIJRPXBPLLQU-UHFFFAOYSA-N 451.298 2.495 30 10 JEEE CCOc1ccc(C=CC(=O)[C@@H]2C[C@H](NC(=O)CNC(=O)c3ccccc3)CCN2)cc1OC 2328106791 RQQHTUVSYXONPH-RTWAWAEBSA-N 465.550 2.343 30 10 JEEE COc1cc(C=Nn2c(SCC(N)=O)nnc2C(F)(F)F)cc(Br)c1O 2331129348 LEVSWMCKDWZCHQ-UHFFFAOYSA-N 454.228 2.233 30 10 JEEE CC[C@H](C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)n1nnc(-c2ccc(Cl)cc2)n1 15759967 BVKCIFBQJFQALV-LJQANCHMSA-N 499.984 2.349 30 10 JEEE COc1ccc(/C=N/Nc2nc(SCC(=O)NCc3ccco3)n[nH]2)cc1OCn1cccn1 20424456 AWJOOCPJQRWHLH-FOKLQQMPSA-N 482.526 2.494 30 10 JEEE COc1cc(/C=N/Nc2nnc(SCC(=O)c3ccc4c(c3)OCO4)n2N)cc(OC)c1OC 20919435 HKZHVFIQVGNHLP-NUGSKGIGSA-N 486.510 2.167 30 10 JEEE Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)N1CCN(c2ncccc2C#N)CC1 105288044 RTCVKHQFPZPYQJ-UHFFFAOYSA-N 458.448 2.308 30 10 JEEE CCc1ccc(C=c2sc(=C(C#N)C(=O)N[C@@H](C)COC)n(Cc3ccccc3)c2=O)s1 518704573 SDTBIDOLXGRUDC-INIZCTEOSA-N 467.616 2.236 30 10 JEEE N#Cc1ccnc(N2CCN(C(=O)Nc3ccc(S(=O)(=O)C[C@@H]4CCCO4)cc3)CC2)c1 609436113 GQIPDGBEROWLIB-IBGZPJMESA-N 455.540 2.260 30 10 JEEE N#Cc1ccc(N2CC[C@@H](C(=O)N3CCN(CC(=O)Nc4ccc(F)cc4)CC3)C2)c(F)c1 1135781005 GYJDLKNDDFGXSH-GOSISDBHSA-N 453.493 2.446 30 10 JEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCCN([C@@H](C)c3ccc(F)cc3)C2=O)c1 1141377928 FIKIWWRPDLCQHL-HRAATJIYSA-N 457.527 2.219 30 10 JEEE C#CCN(C(=O)c1ccc(OCC(=O)NC)c(OC)c1)C1CCN(C(=O)OC(C)(C)C)CC1 1155359482 QZWJTRDPSPPDLQ-UHFFFAOYSA-N 459.543 2.295 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(Cl)c(OCC)c(OC)c1 1286276768 YUOUHFMBDOEXTG-UONOGXRCSA-N 469.995 2.455 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1CC1(SC)CCN(C)CC1)[C@H]1CCS(=O)(=O)C1 1286382948 BPTZZYKDGBJQMO-KRWDZBQOSA-N 453.678 2.030 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CCc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1286383332 WXPCSAVLDORRRO-NRFANRHFSA-N 471.627 2.374 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2cccc(C)c2C)n1Cc1nncn1CC)[C@H]1CCS(=O)(=O)C1 1286385963 RSEPKTFPDUYBGH-UXHICEINSA-N 497.625 2.321 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CC1(COC)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1286387287 CEYHTVILLCFUKH-GOSISDBHSA-N 494.017 2.063 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1286390700 BDQZXFNENQJBQA-QRVBRYPASA-N 495.646 2.402 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@H]1CCCS(=O)(=O)C1 1286402169 BGPZFTPQIIOBKO-GOSISDBHSA-N 456.568 2.250 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCN1CCC[C@H](C)C1 1286421675 QMPKDIAOQVYNOB-NRFANRHFSA-N 482.654 2.390 30 10 JEEE C#CCSCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1286505718 KWMQLDPJSCJDMA-UHFFFAOYSA-N 461.035 2.099 30 10 JEEE C=C(Br)Cn1c(Cc2ccccn2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1286544425 HIAIJNRORJBIAG-QGZVFWFLSA-N 481.420 2.177 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1286547036 MOHRFFQEWMHQAW-PUHATCMVSA-N 496.612 2.470 30 10 JEEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(NC(=O)c2ccco2)cc1 1286714246 MRNVAVAIFHTQIC-OAHLLOKOSA-N 458.544 2.404 30 10 JEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1ccc(CC)cc1)N(C)C 1286726287 DDFLPBXTELONTF-NHCUHLMSSA-N 476.647 2.099 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)C(C)C 1286749368 QGWHQRAJUKEPIL-RXVVDRJESA-N 483.660 2.272 30 10 JEEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 1286776116 DWCIQBJVCVRQAE-JKSUJKDBSA-N 457.597 2.032 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1286794116 XCMXUKLWPAYYNB-WOIUINJBSA-N 482.633 2.394 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(=O)OC)C1 1286798703 LABDLGLCOPXGEG-OALUTQOASA-N 474.583 2.183 30 10 JEEE C=CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1286825342 JOTXLSTUEVWWKX-UHFFFAOYSA-N 483.598 2.468 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1cc(C)ccc1OC(F)F)[C@H]1CCS(=O)(=O)C1 1300496125 OGTVRDBBOUISBT-AEFFLSMTSA-N 480.537 2.367 30 10 JEEE C#CCN(c1nnc(COc2ccccc2OCC)n1C[C@@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1300504946 WLVKEVVAIWGSEA-PMACEKPBSA-N 488.610 2.452 30 10 JEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](C)CN1CCCCC1 1300527117 BRVHVOZOSGJLRW-FQEVSTJZSA-N 467.643 2.433 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccnc2)n1C[C@H](c1ccc(C)o1)N1CCOCC1 1300664942 WIPJDAKLPZUBFT-OAQYLSRUSA-N 450.543 2.401 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(COC)CCC1 1300671322 HOFJEKLCKRGKHG-LJQANCHMSA-N 477.606 2.489 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccn3C)n2Cc2ccc(OCC(F)(F)F)nc2)CC1 1300696013 RBTUWLYKAIBNPC-UHFFFAOYSA-N 459.476 2.423 30 10 JEEE C#CCN1CCN(c2nnc(COCC)n2C[C@H](c2ccccc2OC)N2CCCC2)CC1 1300710300 ZQINRWSCBPHYSV-JOCHJYFZSA-N 452.603 2.416 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCC(=O)N2CCCCC2)CC1 1300711262 VGPHCEXFYBODPJ-IFMALSPDSA-N 456.635 2.355 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2Cc2nnc(CC)s2)CC1 1300716393 MBYHKLWPBOCFER-UHFFFAOYSA-N 465.583 2.382 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccnc2)nnc1N1CCC(C(=O)NCCOC)CC1 1300881478 OICUIBCEOWZXDS-SFTDATJTSA-N 454.575 2.300 30 10 JEEE C=C(Cl)Cn1c(CNC(=O)c2cccs2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1301050654 CQONXOCTQWGXLU-UHFFFAOYSA-N 492.049 2.157 30 10 JEEE C=CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1301218797 UYMRLGGGCCBAEY-UHFFFAOYSA-N 495.675 2.065 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1cnc2c(Cl)cnn2c1 1301390152 DYCNWZGIMNLGQW-INIZCTEOSA-N 461.979 2.297 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nc2c(s1)C[C@@H](C)CC2 1301423676 BEJQBKSYXSHWPU-JKSUJKDBSA-N 465.645 2.449 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1301575302 DJYYMLBWUULOGR-QGZVFWFLSA-N 478.962 2.469 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)ccc2C)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1301592609 AREOLCMYIJHVQT-VQTJNVASSA-N 487.626 2.322 30 10 JEEE CC(C)NC(=O)CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1303435919 IFWGMWJDYHFOIS-GOSISDBHSA-N 479.507 2.041 30 10 JEEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(Cl)c1 1303638582 AKONEFHUDHHZPX-PBHICJAKSA-N 452.968 2.051 30 10 JEEE Cc1ccc(NC(=O)c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@H]2CCS(=O)(=O)C2)cc1C 1304378306 BHLXPBQKASHFQH-IIBYNOLFSA-N 460.535 2.024 30 10 JEEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)c2ccc(-c3ccccc3OC)cc2)CC1 1312150496 ZVQTUPGMTJVVPD-SFHVURJKSA-N 456.568 2.218 30 10 JEEE CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)c2ncc(C)s2)CCO1 1315015514 IEOFXYBXCDDOAA-HNAYVOBHSA-N 481.582 2.249 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc(NC(C)=O)nc1 1358885449 KHEGTYPVBCRPQH-OAHLLOKOSA-N 466.571 2.098 30 10 JEEE C#CCCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1358911209 NRPBQVVFFFAMJM-KRWDZBQOSA-N 483.598 2.163 30 10 JEEE C#CCCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1358911586 YKNNBKGMFMCNQG-IBGZPJMESA-N 490.612 2.434 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1Cc1nccn1C(F)F)[C@H]1CCS(=O)(=O)C1 1358959350 HDPKKZGHDCJJOZ-KRWDZBQOSA-N 471.493 2.083 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1ccc(C)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1358960408 DKGQXVPKFNONCK-IBGZPJMESA-N 451.552 2.332 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H](c1ccsc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1358962153 LEZNEYAZOAWZKF-MISYRCLQSA-N 477.656 2.163 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1Cc1snnc1C)[C@H]1CCS(=O)(=O)C1 1358964735 GKNKHFOBVCUPDC-SFHVURJKSA-N 456.597 2.012 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCS(=O)(=O)N(C)C 1359020130 RWLYVKHOJOSJRK-INIZCTEOSA-N 465.645 2.109 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1359113516 KNSVRBTUIMZXIL-ROUUACIJSA-N 463.579 2.066 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(F)cc1F 1359150814 HDRXFSJREFQQKZ-INIZCTEOSA-N 461.922 2.278 30 10 JEEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1359191124 OBUWVEYVFXYDPF-UNMCSNQZSA-N 485.677 2.382 30 10 JEEE C=CCN(C)c1nnc(Cc2cn3ccccc3n2)n1CCNS(=O)(=O)c1ccc(C)s1 1359242841 VRCMNMQHTYUKAB-UHFFFAOYSA-N 471.612 2.487 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)c2cccc(Cl)c2)CC1 1359300189 WCZDZCHRZLIMBL-GOSISDBHSA-N 472.977 2.090 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2OCC)nnc1N1CCc2nc(O)c(C#N)cc2C1 1359305131 UFTQWPRSTCTDEW-UHFFFAOYSA-N 489.536 2.093 30 10 JEEE CNS(=O)(=O)c1ccc([C@H](C)NC(=O)COc2cccc(Br)c2C#N)cc1 1443278030 ANDOSJYFIPYZMJ-LBPRGKRZSA-N 452.330 2.485 30 10 JEEE C#CCOc1ccccc1NC(=O)N1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 1466207447 MEOPEXNZVFGGFJ-UHFFFAOYSA-N 456.524 2.229 30 10 JEEE CN(Cc1ccco1)c1nnc(-c2cccc(C#N)c2)n1CCS(=O)(=O)N1CCSCC1 1503492586 DXUYEQYBJSEWHZ-UHFFFAOYSA-N 472.596 2.425 30 10 JEEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@H](C)N1CCN(CC)CC1 1507612301 SERJLGPIKBBVBS-HXUWFJFHSA-N 476.629 2.331 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Cl)n1C[C@]1(C)COCCO1)[C@@H]1CCS(=O)(=O)C1 1507628866 ISALYQWCKGMNRM-IIBYNOLFSA-N 464.975 2.031 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCc1c(F)cccc1F)[C@H]1CCS(=O)(=O)C1 1507638231 PPTNNUXQAQHLFP-HNAYVOBHSA-N 450.511 2.277 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc2c(c1)OCO2 1507654103 VTOXIURRLLHUJW-IBGZPJMESA-N 479.537 2.436 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2cccc(F)c2F)CC1 1507733687 IFPSNBJLIQYMNW-UHFFFAOYSA-N 470.524 2.001 30 10 JEEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(CC(=O)NC)CC1 1507790958 GDFUZQBDDFNLTP-RDJZCZTQSA-N 456.385 2.263 30 10 JEEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCC(CC(=O)N2CCN(CC)CC2)CC1 1507845142 WXZFJANXVYKJTB-QFIPXVFZSA-N 474.650 2.145 30 10 JEEE C=C(C)COCCn1c(N2C[C@H](C)O[C@]3(CCCOC3)C2)nnc1[C@@]1(OCC)CCOC1 1507847556 IZSPIZSYVQVQMY-WWPVKYPJSA-N 450.580 2.297 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)N1CCC[C@@H](C)C1 1508018247 BDCGHNLUKQUODT-WOJBJXKFSA-N 480.679 2.300 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc(Cc2cccnc2)n1CC1(O)CCS(=O)(=O)CC1 1508024641 MIWMXIBVBAKYKQ-UHFFFAOYSA-N 481.622 2.439 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(Cl)=C(Cl)C1 1508071723 FCDVTYCRWUFCRI-UHFFFAOYSA-N 499.424 2.397 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccc1C(F)(F)F 1508089883 GKVAYCPDWWXTHU-HNNXBMFYSA-N 471.505 2.138 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1508136932 JCJHCAGLKREETA-ZWKOTPCHSA-N 463.991 2.447 30 10 JEEE CC(C)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O)N1CCOCC1 1508862700 GINJFQGRDQQEDI-DXIQSLLYSA-N 488.658 2.431 30 10 JEEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ncc(CC)s2)C1 1516021909 FWNDBQMVFQBOGZ-GOSISDBHSA-N 471.612 2.402 30 10 JEEE CS(=O)(=O)[C@H]1CCCCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)CC2CC2)C1 1519506702 CSYKGQTXKVXHHX-FQEVSTJZSA-N 491.639 2.045 30 10 JEEE Cn1cnc(-c2ccc(NC(=O)C3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)cc2)n1 1536797325 FNJAFAWWFYQGQT-UHFFFAOYSA-N 450.524 2.393 30 10 JEEE C#CCCCn1c(Cc2ccccn2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1539127808 QCBKPXRTLPMUOW-VXKWHMMOSA-N 463.630 2.304 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H]1CCCN(CC(C)C)C1)[C@H]1CCS(=O)(=O)C1 1539224917 KGORHDZLZDDOMO-PKTZIBPZSA-N 484.670 2.259 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](c2ccccc2Cl)N(C)C)CC1 1539428096 MXNJURKVOBBAPY-NRFANRHFSA-N 470.021 2.226 30 10 JEEE C#CCN1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2C[C@@](C)(O)CCC(C)C)CC1 1539446434 ZOBUGWFHSVJKOY-DEOSSOPVSA-N 487.674 2.181 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H]2CC[C@@H](F)C2)CC1 1539451866 CJZWHGCSKXPGSO-ZCNNSNEGSA-N 476.597 2.480 30 10 JEEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1539499143 FNZCVJHYUKCBSG-UHFFFAOYSA-N 465.627 2.174 30 10 JEEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1539511363 VZPWJDBMQNKFRA-SFHVURJKSA-N 464.599 2.413 30 10 JEEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1539579424 LUIZYROLWCPQRX-ROUUACIJSA-N 472.428 2.459 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(C)=O)C[C@H]1C 1539622867 YHFATFQNCCXKEQ-ZNLUXHQJSA-N 487.626 2.387 30 10 JEEE C=CCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1540857117 ZAHJVVJHFCMCAH-INIZCTEOSA-N 456.572 2.435 30 10 JEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](OCCOC)C1 1540858358 SZWNFUNWHOIQJK-ROUUACIJSA-N 451.568 2.404 30 10 JEEE C=CCNC(=O)Cn1c(Cn2ccc3ccccc32)nnc1N1CCC(NC(=O)CCC)CC1 1540873836 LLMNFSNOIAADOU-UHFFFAOYSA-N 463.586 2.468 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H]3CCCOC3)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)cc1 1540878479 YHTVWRQQDRRZRS-AZUAARDMSA-N 475.615 2.255 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Br)cc3)n2CCNS(=O)(=O)CC)C1 1540885856 QDYLFGARWAZLPS-KRWDZBQOSA-N 484.420 2.428 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CCC(C(=O)NC)CC1 1540898654 QGEDIVNZMQMCAQ-UHFFFAOYSA-N 451.980 2.162 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCCN1CCc2ccccc2C1 1541934672 CHONDMXFWCCRLY-CYFREDJKSA-N 485.658 2.467 30 10 JEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](CC)[C@@H](c2ccc(C)cc2)n2cncn2)c1 1566470812 ZGFSXWMFLWARPV-FCHUYYIVSA-N 451.552 2.296 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1CCCN1C[C@H](C)O[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1588045439 KTIUFRHMXDBTCU-BHIFYINESA-N 485.654 2.380 30 10 JEEE C#CCN(c1nnc(-c2ccccc2F)n1CCCOCC(F)F)[C@@H]1CCS(=O)(=O)C1 1588045443 KUJHSPAIAMUJTL-OAHLLOKOSA-N 456.490 2.383 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1CC1(SC)CCN(C)CC1)[C@H]1CCS(=O)(=O)C1 1588064667 MRKNXELHZHVBPF-IBGZPJMESA-N 493.724 2.385 30 10 JEEE C#CCN(c1nnc(COc2ccccc2OC)n1CC(=C)Br)[C@@H]1CCS(=O)(=O)C1 1588068964 CUXYOGWEEXWPIS-MRXNPFEDSA-N 495.399 2.401 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCN2C[C@@H](C)O[C@H](C)C2)CC1 1588780378 NTGUIJPQNBVQBZ-RTBURBONSA-N 458.010 2.248 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OCCCC)c(OC)c3)n2C[C@@]2(O)CCO[C@H]2C)CC1 1588791330 SLLKZBUGSOZNFR-FNZWTVRRSA-N 483.613 2.428 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@H](C)N(C)C2CC2)CC1 1588908303 NTYISYMARNRIBN-SFHVURJKSA-N 450.587 2.402 30 10 JEEE C#CCSCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(C(=O)COC)CC1 1588985659 WJTVAVDAYWEOQG-KRWDZBQOSA-N 461.563 2.219 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1conc1COC 1589172040 XYWYGMSQNFCPSE-HSZRJFAPSA-N 484.582 2.370 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(O)(c2ccccc2)CC1 1589494644 NKCWZQTZERHFEG-ZVDOUQERSA-N 489.642 2.358 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1589502999 AYGKZOBSNLKVFS-NRSPTQNISA-N 475.615 2.453 30 10 JEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(Oc2cc(C)ccn2)CC1 1594732783 IASAPUOLIJKMRZ-HXUWFJFHSA-N 490.630 2.328 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCOC[C@@H]1OC 1595239714 QQOUZTLUOGNELK-VSKRKVRLSA-N 474.627 2.467 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1595556151 PIPUIIIWMYLBSU-UHFFFAOYSA-N 494.003 2.065 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1595556367 SOMKBKDAAMYURU-UHFFFAOYSA-N 472.462 2.333 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccccc3F)n2CC2(C(N)=O)CCOCC2)C1 1595755514 XREXXJUWDUNVAF-QGZVFWFLSA-N 459.522 2.060 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCOC2(CCC2)C1 1595761141 YCOKIZRDLANOOS-UHFFFAOYSA-N 494.017 2.222 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CC[C@@](O)(c2ccc(F)cc2)C1 1595789262 QABGNVLABVLPNL-QHCPKHFHSA-N 471.558 2.486 30 10 JEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1Cc2cc(Br)cnc2NC1=O 1603410410 GSNOIEROMCWRME-ZIAGYGMSSA-N 451.321 2.130 30 10 JEEE CC(C)NC(=O)CN(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1ccc(N(C)C)nc1 1610003884 BMMUKBOXBWRYIG-UHFFFAOYSA-N 462.558 2.199 30 10 JEEE C[C@]12CC[C@@H]3[C@H](CC[C@@]4(O)C[C@H](O)CC[C@]34/C=N/CCCO)[C@@]1(O)CC[C@H]2C1=CC(=O)OC1 1614466714 ZPYOXVKJNQBTTC-WKGYPYJOSA-N 461.599 2.153 30 10 JEEE CCCNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2(CS(C)(=O)=O)CC2)C1 1614909567 CWTNJFXMOQDYFT-FQEVSTJZSA-N 484.626 2.384 30 10 JEEE COC1CCN(C(C)(C)Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCN2CCOCC2)CC1 1619505903 HNBXVTSVUMOPEF-UHFFFAOYSA-N 481.645 2.475 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ncccc1N(C)C 1619899614 CRYCQPHNKIGBDH-FQEVSTJZSA-N 474.569 2.263 30 10 JEEE CCOC(=O)[C@@H](Cc1ccccc1)NCC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 1620477970 BRGDKZPNOCFDIX-DHIUTWEWSA-N 452.530 2.299 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc(N3C[C@H](C)O[C@H](C)C3)nc2)s1 1626640266 KBMMKWBCLVCIIF-GASCZTMLSA-N 450.586 2.402 30 10 JEEE C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Cl)c(OCCOC)c(Cl)c1 1660940043 KMQHEZBFMOZORC-GFCCVEGCSA-N 458.385 2.382 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2C[C@H]2CCCN(C(C)=O)C2)c1 1689870204 FUUIYCHNTFZMDD-FQEVSTJZSA-N 472.553 2.050 30 10 JEEE C#CCCCn1c(COc2ccccc2OC)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1689940313 VEOWSWCZGIQEBR-OAQYLSRUSA-N 452.603 2.495 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@H]1CCCCN1CC)[C@H]1CCS(=O)(=O)C1 1689985831 CIOCRDSSBVVJDN-UXHICEINSA-N 471.627 2.455 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1CCSc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1689988162 KIPAHLDCONRSNA-QGZVFWFLSA-N 454.581 2.154 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CC1(C(=O)NCC)CCC1)[C@@H]1CCS(=O)(=O)C1 1689996650 LJPGNPAZXUDPAM-HXUWFJFHSA-N 499.637 2.099 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1cnc(C)s1 1690096713 ZAFRMEJCTWUGFI-UHFFFAOYSA-N 474.612 2.095 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2CCCN2C[C@H](C)O[C@H](C)C2)CC1 1690128636 HLEVMNPRTPDLAC-SZPZYZBQSA-N 466.630 2.132 30 10 JEEE C=CCCCn1c(-c2ccc[nH]2)nnc1N1C[C@@H]2[C@@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1690478955 PFBRRZFELHUOQU-NJAFHUGGSA-N 476.603 2.366 30 10 JEEE CCN(CC)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cccn2)CC1 1695596118 CKRJXZYHAJHWDD-UHFFFAOYSA-N 475.601 2.094 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1705485433 JGVOIOZAMNBTIG-IAGOWNOFSA-N 461.588 2.092 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@H](C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 1705562529 DUUQJFSLIHBCJJ-MJGOQNOKSA-N 477.034 2.352 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1Cc1nnc(CC)s1)[C@H]1CCS(=O)(=O)C1 1705570193 LEGJPMMEVGHSJZ-AWEZNQCLSA-N 492.577 2.236 30 10 JEEE C#CCN(CC)c1nnc(-c2cc(-c3ccccc3)on2)n1CCS(=O)(=O)N1CCSCC1 1705611475 FKENKYRJUFISOB-UHFFFAOYSA-N 486.623 2.438 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2c(Cl)cccc2OC)CC1 1705647359 CQRMNURXKCIJRT-KRWDZBQOSA-N 457.962 2.458 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2C[C@](C)(O)CCOC)CC1 1705649921 IBKBVVCSBZODTN-AREMUKBSSA-N 478.597 2.104 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2C[C@@](C)(O)CCOC)CC1 1705649923 IBKBVVCSBZODTN-SANMLTNESA-N 478.597 2.104 30 10 JEEE C#CCSCCn1c(-c2ccccc2F)nnc1N1CCC(NS(=O)(=O)CC)CC1 1705657385 CVRYQJXJFKVVPR-UHFFFAOYSA-N 451.593 2.359 30 10 JEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 1705663728 OXNULGKRCRVETI-IAGOWNOFSA-N 462.620 2.116 30 10 JEEE C#CCSCCn1c(COc2ccccc2OC)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1705666953 ZDZYLTCXQIGTIQ-UHFFFAOYSA-N 499.637 2.307 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1705700633 WOEVGQUMNBZTRV-NJYVYQBISA-N 493.674 2.245 30 10 JEEE C=C(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1705720251 IFDDRXFRNQVYMO-UHFFFAOYSA-N 456.595 2.153 30 10 JEEE C=C(C)Cn1c(N2CCN(c3c(C#N)c(C)nn3C)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1705728191 BGXRZLWSDMNXBO-HSZRJFAPSA-N 454.579 2.135 30 10 JEEE C=CC1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(N3CCN(CC)CC3)nc2)CC1 1705775624 GZEHNKUAYCAGCP-UHFFFAOYSA-N 466.634 2.404 30 10 JEEE C=CCCOCCn1c(-c2cccc(OC)c2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1705826926 NPPYARCDKBXODV-UHFFFAOYSA-N 454.531 2.067 30 10 JEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2ccc(F)cc2Cl)C1 1705891009 UVFNUZWSRJSRND-ZWKOTPCHSA-N 485.969 2.167 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1705897992 YNKYRLCSXBJUHA-KOSHJBKYSA-N 468.558 2.368 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@H](c2nc(C)no2)C1 1705898738 WHRFOMWGFDVHSB-KRWDZBQOSA-N 467.530 2.340 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1705906804 PJCVIXKOZPYGRP-KRWDZBQOSA-N 474.537 2.402 30 10 JEEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1722330685 WNIRYJLPQAGPSH-KDURUIRLSA-N 473.647 2.197 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCC(=O)NC1CCCCC1)[C@H]1CCS(=O)(=O)C1 1722360854 WNLZGGUQHDWBIG-QFIPXVFZSA-N 494.621 2.282 30 10 JEEE C#CCN1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2C[C@@H](OC)[C@H](C)CC)CC1 1722438273 PISYHOXFLHQFLX-DENIHFKCSA-N 477.613 2.491 30 10 JEEE C=C(Br)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1722486184 TUJSTTNPDFCVBO-UHFFFAOYSA-N 475.347 2.383 30 10 JEEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)Cc2ccccc2C)CC1 1722527996 VDUNDIAHWPNPNI-UHFFFAOYSA-N 468.602 2.209 30 10 JEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1722618655 UJJGNKJFVFFOEV-DYESRHJHSA-N 455.625 2.219 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CCCn1cccn1 1723603222 FNVTWIFZTJVWSM-UHFFFAOYSA-N 461.574 2.291 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CCC1CC1 1723942330 CKEWVCLXUDWDSH-QGZVFWFLSA-N 457.604 2.277 30 10 JEEE CCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(CC#N)CC2)cc1OC 1728863909 BFDOSBUXRIXCSV-MRXNPFEDSA-N 476.603 2.474 30 10 JEEE COc1cc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCC(=O)N2CCOCC2)ccc1OC(C)C 1729969577 AVNLEROGDVHBKG-XMMPIXPASA-N 486.548 2.432 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1CCS(=O)(=O)N1CCSCC1 1740543242 LBXKGFJPLAPUSW-KRWDZBQOSA-N 493.655 2.189 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1Cc1nc(C)cs1)[C@@H]1CCS(=O)(=O)C1 1740619477 PBVVVNUVKXALBV-CQSZACIVSA-N 495.428 2.476 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1Cc1ccc(F)cn1)[C@@H]1CCS(=O)(=O)C1 1740620889 YSVIYPMIGULMBF-LJQANCHMSA-N 455.515 2.163 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC1(OC)CCCCC1)[C@H]1CCS(=O)(=O)C1 1740624095 FSRBVBFHYABCBC-FQEVSTJZSA-N 474.631 2.116 30 10 JEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN(C)C1CCCC1 1740637317 XXQMNMPTZWZKNG-UHFFFAOYSA-N 453.616 2.185 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@@H](C)NC(=O)OC(C)(C)C)CC1 1740706728 ASKLTNAOVPATSY-GOSISDBHSA-N 481.601 2.143 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(Cc2c(F)cccc2F)n1CCNS(=O)(=O)Cc1ccon1 1740733070 ZWFVPMDJHJVPSL-JOCHJYFZSA-N 490.536 2.247 30 10 JEEE C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1740778294 UGTSDSDAXVCGFH-UHFFFAOYSA-N 476.423 2.367 30 10 JEEE C=C(C)COCCn1c(Cc2ccccc2F)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1740794340 XREDIXCWRBSELW-IBGZPJMESA-N 456.522 2.073 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(=Cc2cccc(OC)c2)CC1 1740958775 UXULNBOYNVTNNM-FQEVSTJZSA-N 450.543 2.224 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)OC)CC1 1740969156 KQTKNXMMFMACCS-LJQANCHMSA-N 474.583 2.183 30 10 JEEE CCc1nc(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@H](NC(C)=O)C2)no1 1744469184 BXSZTVFTICCFTQ-SFHVURJKSA-N 464.530 2.022 30 10 JEEE CCCC(=O)NC[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCS(=O)(=O)C2)C1 1745151091 BVDJPEWUFGZLES-WOJBJXKFSA-N 484.626 2.384 30 10 JEEE CCOc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1CC(C)(C)N1CCOCC1 1746888628 CATPUEOECZZEOU-IBGZPJMESA-N 470.574 2.095 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCCN1CCC[C@@H]1CO 1748647080 INEARNSUGYHXPL-AZUAARDMSA-N 487.674 2.241 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cc(F)ccc1N1CCOCC1 1748689895 JNQGXPQLRIELJN-SPEDKVCISA-N 457.550 2.484 30 10 JEEE C#CCN(c1nnc(-c2ccc3ccccc3n2)n1CCC(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 1748808468 COECEJQKYRYLGI-LJQANCHMSA-N 480.594 2.035 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H](c1ccccc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1748811018 AAKKVERSBVGQMC-UNMCSNQZSA-N 464.595 2.270 30 10 JEEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCOCC1(C)C 1748929915 SJRPCBRVRFNFFP-LJQANCHMSA-N 476.622 2.157 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C)Sc2ccccc2)CC1 1749009405 IKAAFDOLHALEOP-XLIONFOSSA-N 466.611 2.376 30 10 JEEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](NC(=O)CC)C1 1749024385 OZAQDMZGYYVAND-SFHVURJKSA-N 475.640 2.210 30 10 JEEE C=C(Cn1c(-c2cnccn2)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1)c1ccccc1 1749244026 DEKFKRIHTQAKQA-UHFFFAOYSA-N 497.625 2.325 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCN2C[C@H](C)C[C@@H](C)C2)CC1 1749303813 PSCFQUHDSPRJPX-NJYVYQBISA-N 480.679 2.135 30 10 JEEE C=CCCCn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1749420213 AGDPNMBLGDILAU-HXUWFJFHSA-N 466.586 2.483 30 10 JEEE C=CCCOCCn1c(COc2ccc(Br)cc2)nnc1N1CCN(C)C(=O)C1 1749460988 LIAFZHLXNPNAFR-UHFFFAOYSA-N 464.364 2.491 30 10 JEEE CC(C)[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1750576886 AIWLWLMPDNAQSA-AREMUKBSSA-N 479.629 2.358 30 10 JEEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC(F)(F)F)C[C@]2(CCCOC2)O1 1752318277 HIXVXDOXJHIZDQ-VFNWGFHPSA-N 478.475 2.270 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@H](C)N1CCN(CC)CC1 1760102117 FJQZTIZJGMPVIB-RTBURBONSA-N 470.618 2.455 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1760184384 WPCXLSLMHUTWOQ-LJQANCHMSA-N 488.610 2.283 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1CCc1ccc(F)c(F)c1)[C@H]1CCS(=O)(=O)C1 1760187233 CEZMJCMFGJHKNZ-KRWDZBQOSA-N 459.522 2.431 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCC1(OC)CCC1 1760247961 WGAGZFIVMMKOOR-UHFFFAOYSA-N 450.543 2.237 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](CC)Oc2ccccc2F)CC1 1760252282 PCIUPQASHGTEDQ-IBGZPJMESA-N 454.550 2.266 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCNC(=O)C2CC2)CC1 1760267626 TWLOZFWJRXXBOQ-UHFFFAOYSA-N 484.988 2.099 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2csc(N3CCOCC3)n2)n1CCS(=O)(=O)C(C)(C)C 1760292715 GUXTXLFKLXJVJV-JOCHJYFZSA-N 492.671 2.444 30 10 JEEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1760301706 HRGRUGWCIAYPDX-HUUCEWRRSA-N 484.399 2.485 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(C[C@H]2CCCO2)CC1 1760515303 CPYCJJMYMASZDH-RTBURBONSA-N 472.565 2.160 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1760525001 QDPSEGAHVVTATD-SFHVURJKSA-N 466.007 2.228 30 10 JEEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](F)[C@@H](c2ccccc2)C1 1760566487 VJNWXTVEJMLRQI-AQNXPRMDSA-N 495.646 2.472 30 10 JEEE N#Cc1ccc(OCc2nnc(N3CCC(OCC(N)=O)CC3)n2Cc2cccs2)cc1 1771534601 IDQDTQKINLOGGH-UHFFFAOYSA-N 452.540 2.309 30 10 JEEE N#Cc1cccc(C(=O)NCc2ccc(S(=O)(=O)NC(=O)NCCCCN3CCCC3)cc2)c1 1858651501 WEKHGFOEBMOMEN-UHFFFAOYSA-N 483.594 2.352 30 10 JEEE CCN(CC)C(=O)COc1ccc(/C=C/C(=O)C(=O)Nc2ccc(N3CCOCC3)nc2)cc1 1860724293 DWTPXAJKJFIRGC-YRNVUSSQSA-N 466.538 2.386 30 10 JEEE C=CCNC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)c1ccc2c(c1)C(=O)N(CCCOC)C2=O 1861514812 JWVFGQSQNRLKKX-OAQYLSRUSA-N 467.497 2.102 30 10 JEEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccc(O)c([N+](=O)[O-])c1 1862610554 NYGUQOOENJANKC-JEOXALJRSA-N 456.407 2.031 30 10 JEEE C=CCN=c1nc(N2CCN(c3ccccc3OC)CC2)[nH]c(=Nc2ccc(OC)c(OC)c2)[nH]1 1871541245 YMXGROJHDZXRSQ-UHFFFAOYSA-N 477.569 2.409 30 10 JEEE COc1ccc(N2C[C@H](c3nnc(SCC(N)=O)n3/N=C/c3cc(C)ccc3O)CC2=O)cc1 1874199590 RSQGJYBUBLBEOY-FVWOBLMASA-N 480.550 2.281 30 10 JEEE NC(=O)CSc1nnc([C@@H]2CC(=O)N(Cc3ccccc3)C2)n1/N=C/c1cccc([N+](=O)[O-])c1 1874209265 ABQBGIOUVHVAOO-SCWWFSKWSA-N 479.522 2.162 30 10 JEEE COc1ccc(OCCCc2nnc(SCC(N)=O)n2/N=C/c2ccc(O)cc2O)cc1 1874219825 GIFGHFOQGVWNEO-FSJBWODESA-N 457.512 2.169 30 10 JEEE CCOc1ccccc1OCc1nnc(SCC(N)=O)n1/N=C/c1ccc(C(=O)O)cc1 1874241131 QHPDDYWBSAMLLW-FOKLQQMPSA-N 455.496 2.414 30 10 JEEE N#Cc1ncccc1OCC1CN(C(=O)C[C@H]2CSc3nc4c(cnn4-c4ccccc4)c(=O)n32)C1 1891746088 FTQOUDBXLSSVID-SFHVURJKSA-N 499.556 2.423 30 10 JEEE N#CC1CC(O)(C[S@@](=O)C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)C1 1990667676 GPLMKDFBFUWUKH-KLFPIHQNSA-N 468.531 2.392 30 10 JEEE COC[C@@H]1CC[C@H](n2cnc(I)c2I)C[C@@]1(N)C#N 2127236012 OJNDYDZSVOQGKP-HOTUBEGUSA-N 486.095 2.301 30 10 JEEE CC(C)(C)OC(=O)NCCCNS(=O)(=O)Cc1ccccc1B1OC(C)(C)C(C)(C)O1 2255796288 OOTYESMZCYNUBT-UHFFFAOYSA-N 454.398 2.320 30 10 JEEE CO[C@H]1CN(C(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1NC(=O)OC(C)(C)C 2255811991 VATHOWWBWLHLKO-HOTGVXAUSA-N 452.382 2.411 30 10 JEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N(CCO)CCNC(=O)OC(C)(C)C 2255827371 IYCSVHCXJBKNIZ-UHFFFAOYSA-N 454.398 2.315 30 10 JEEE CC1(C)OB(c2cncnc2C(=O)N[C@H]2CCCN(C(=O)OCc3ccccc3)C2)OC1(C)C 2255871806 ZEROGIXCSGTHKZ-SFHVURJKSA-N 466.347 2.307 30 10 JEEE C=C(CS(=O)(=O)N1C[C@H](OC)C[C@@H]1CNC(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2255955150 JJHUIANSOLBDHD-HZPDHXFCSA-N 460.402 2.118 30 10 JEEE Cc1csc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2O)c1B1OC(C)(C)C(C)(C)O1 2267155013 NSXKXOJRMYAFGW-LSDHHAIUSA-N 466.409 2.456 30 10 JEEE COCC1(NC(=O)OC(C)(C)C)CC(NC(=O)c2occc2B2OC(C)(C)C(C)(C)O2)C1 2267188501 NFDFLXVZUKNAKH-UHFFFAOYSA-N 450.341 2.381 30 10 JEEE CC(C)(C)OC(=O)NCC[C@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)CCO1 2267195170 VEHFIEBTZAXOGA-AWEZNQCLSA-N 467.397 2.198 30 10 JEEE CC(C)(C)OC(=O)NC1CN(CC(=O)Nc2nc(B3OC(C)(C)C(C)(C)O3)ccc2Cl)C1 2268638516 UGXRXELNYSBSPX-UHFFFAOYSA-N 466.775 2.182 30 10 JEEE C=C(CN(C)C(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)B1OC(C)(C)C(C)(C)O1 2268643232 JXPNCXJJPPHATR-MRXNPFEDSA-N 472.413 2.057 30 10 JEEE COc1ccc(NC(=O)[C@H](CCO)NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2268707754 XWGSHJZWUCGMIU-KRWDZBQOSA-N 450.341 2.209 30 10 JEEE Cn1cc(C(=O)NCc2cc(B3OC(C)(C)C(C)(C)O3)cs2)c(=NC(=O)OC(C)(C)C)[nH]1 2268716209 TZNBPWDQVNNYDO-UHFFFAOYSA-N 462.381 2.480 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2CCC(N3CC(NC(=O)OC(C)(C)C)C3)CC2)C1 2281238697 ZYIKAKRGQGCMAL-UHFFFAOYSA-N 476.618 2.493 30 10 JEEE C[C@H]1C[C@@H](CNC(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2281808828 DROGREFUSDTILE-HOTGVXAUSA-N 462.400 2.485 30 10 JEEE Cn1nc(C(=O)NCCCOCCNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2282033257 QTOZLCJYWHEYCV-UHFFFAOYSA-N 486.806 2.034 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)[C@@]2(CCOC2)C1 2282209586 USBAONUJJNSQCO-MWTRTKDXSA-N 461.368 2.212 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H]2CN(S(=O)(=O)Cc3ncsc3B3OC(C)(C)C(C)(C)O3)C[C@H]21 2282496064 VOTYLJZAMHSZRI-GDBMZVCRSA-N 499.464 2.213 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC[C@@H]2[C@H]1CCN2C(=O)OC(C)(C)C 2282535678 RPBKGWGXHWHOEM-IAGOWNOFSA-N 460.384 2.333 30 10 JEEE Cn1cc(C(=O)N2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@]3(C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2282578959 YMMSGKNNPQYLRC-WNSKOXEYSA-N 460.384 2.048 30 10 JEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)CN1C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2282589779 SATQTGKHZKHSDX-HOTGVXAUSA-N 462.400 2.437 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@](O)(CCNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2282676836 PSPCMSIDKRNTGP-XMMPIXPASA-N 460.380 2.478 30 10 JEEE CC1(C)OB(c2cncc(S(=O)(=O)NCCc3cnn(Cc4ccccc4)c3)c2)OC1(C)C 2282859665 OXUVGXQRUCQTGJ-UHFFFAOYSA-N 468.388 2.147 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@@H]1CCN1C(=O)OC(C)(C)C 2282870773 XLDPRCAQYIFNSU-INIZCTEOSA-N 482.408 2.282 30 10 JEEE CN1C[C@@H](C(=O)Nc2ccccc2B2OC(C)(C)C(C)(C)O2)N(C(=O)OC(C)(C)C)CC1=O 2283978650 FFQRBVYFGMWFAL-KRWDZBQOSA-N 459.352 2.002 30 10 JEEE Cc1ccnc(C(=O)N[C@@H](C(=O)O)[C@@H](C)OCc2ccccc2)c1B1OC(C)(C)C(C)(C)O1 2284430802 ZVNLHEKOUAWXAR-VQIMIIECSA-N 454.332 2.478 30 10 JEEE CN(C(=O)OC(C)(C)C)C1(C(=O)NCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2F)COC1 2285155888 MVZOPTLELNXBPQ-UHFFFAOYSA-N 464.343 2.377 30 10 JEEE CC(C)(C)OC(=O)NCC[S@@](C)(=O)=NC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2300340687 CHYYQSHBWGWGBH-SSEXGKCCSA-N 459.399 2.205 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1CCN(C(=O)OCc2ccccc2)CC1 2315536595 JIQPWDRWLSPGOR-UHFFFAOYSA-N 468.363 2.250 30 10 JEEE CCN(CC)C(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1N=Cc1ccc(O)c(O)c1 2328988703 FBUTYNLMQIBNFG-MRXNPFEDSA-N 474.587 2.256 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)CC12CC2 2362334112 XVAVVMFBRSNQRC-OAHLLOKOSA-N 460.384 2.239 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)CC1(C)C 2362343666 JBWKTIGFPSYXNV-OAHLLOKOSA-N 462.400 2.485 30 10 JEEE COC(=O)[C@@]1(Oc2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)CCN(C(=O)OC(C)(C)C)C1 2371927155 LINYNVGIVFEPNZ-JOCHJYFZSA-N 466.315 2.451 30 10 JEEE COc1ccc(CCNC(=O)c2cccc(/N=C3/N[C@@H]4CS(=O)(=O)C[C@@H]4S3)c2)c(OC)c1 9530068 GCNIWCNOYQDBHF-QUCCMNQESA-N 475.592 2.166 30 10 JEEE COc1ccc(NC(=O)CSc2nnc(N/N=C/c3ccc([N+](=O)[O-])cc3)n2N)cc1OC 20292047 TXOSFIXGHHYLKC-UFFVCSGVSA-N 472.487 2.094 30 10 JEEE C=CCn1cc(/C=N/Nc2nnc(SCC(=O)Nc3cccc(Br)c3)n2N)cn1 59830052 NCGGNYIMIHZVSQ-DNTJNYDQSA-N 476.364 2.314 30 10 JEEE CSc1nnc(C)c(=O)n1/N=C\c1cc(Br)c(O)c(Br)c1O 169882520 UOQPVWRCDYLWOR-TVPGTPATSA-N 450.112 2.487 30 10 JEEE C=CCNC(=O)CN1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)CC1 512710300 QDGFOAFWNNKYAE-GOSISDBHSA-N 453.370 2.044 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(C(=O)c4ccc(OC)cc4OC)CC3)cc2C1=O 615191836 BCSFAKCSPTWWKL-UHFFFAOYSA-N 463.490 2.084 30 10 JEEE CC(C)CN1C[C@H](C(=O)[C@H](C#N)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)CC1=O 729069062 FFYCJCFKLANFRG-XLIONFOSSA-N 474.583 2.013 30 10 JEEE COc1cccc(NC(=O)CSc2nnc(NN=Cc3ccc(OC)c(OC)c3)n2N)c1 1084447091 AVBWQBUBFGSMKB-UHFFFAOYSA-N 457.516 2.195 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C1 1154618781 CRWIRONGYANWRD-HUUCEWRRSA-N 450.561 2.067 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1Cc1cccs1 1286349019 CMSPIHYDMLDKML-PKOBYXMFSA-N 463.629 2.297 30 10 JEEE C#CCCCn1c(CCOc2ccccc2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1286355233 HWLKPWPEWTZPAD-UHFFFAOYSA-N 492.624 2.253 30 10 JEEE C#CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC1(S(C)(=O)=O)CC1 1286373773 IYLSMRYPOAEKGQ-UHFFFAOYSA-N 451.593 2.039 30 10 JEEE C#CCN(c1nnc(C2(c3ccccc3)CCC2)n1CCC(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 1286383186 LONMIFGROQFNRS-OAQYLSRUSA-N 483.638 2.290 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccc(OCC(C)C)cc1)[C@H]1CCS(=O)(=O)C1 1286383804 ZLZJYQMHHBYASH-FQEVSTJZSA-N 487.626 2.126 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(COC)CCOCC1 1286422404 ZKRVWISGMMWRGB-UHFFFAOYSA-N 470.595 2.255 30 10 JEEE C#CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@H](C(=O)NC)C1 1286497327 PQPTVIJPHCLENL-AWEZNQCLSA-N 465.421 2.375 30 10 JEEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCO[C@H](c2noc(C)n2)C1 1286537067 WBNGWCJVPWHYFP-JSGCOSHPSA-N 457.329 2.180 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](Nc2ccccc2)C1 1286592408 CZBGLTHGDXMVJF-VQTJNVASSA-N 460.604 2.268 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1286672851 QVUJBYYREYOJKQ-GBESFXJTSA-N 481.663 2.150 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1286759009 YDESXHMQCLSGJW-QZTJIDSGSA-N 498.650 2.045 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1286793277 BQQMJMOUCOUPFS-XFAGBWLFSA-N 490.605 2.037 30 10 JEEE CCO[C@]1(c2nnc(N3CCO[C@H](c4cccc(C#N)c4)C3)n2CCC(=O)NC(C)C)CCOC1 1296669130 GTFYVDSPVKFOOJ-SQJMNOBHSA-N 482.585 2.294 30 10 JEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ccc(OC(C)C)nc1 1300440198 PJJPQURYMOFCJF-UHFFFAOYSA-N 468.583 2.495 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@H](SC)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1300488369 RGSIFFICVXBKTH-SJORKVTESA-N 450.634 2.083 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCC(=O)N1CCCCCC1 1300606129 GKRBOGYNVSJHJL-UHFFFAOYSA-N 486.642 2.448 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCNC(=O)C(C)C 1300632028 ZVJHHNLRJDEGFL-SFHVURJKSA-N 462.595 2.208 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H](c2ccsc2)N(C)C)CC1 1300684811 AHKDJDWPRSPFCZ-REWPJTCUSA-N 458.632 2.050 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)Oc1ccccc1 1300916583 ZBQZHAGQDHAVEJ-AZUAARDMSA-N 463.604 2.481 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 1300988806 JTGXCNBBGBHNKP-RCCFBDPRSA-N 483.635 2.122 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCS(=O)(=O)C(C)(C)C)C1 1301542782 FRSCLQQBAZWREX-AVRDEDQJSA-N 470.636 2.313 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2ccc(C(N)=O)nc2)C1 1301543206 IZAPQAQSDIVTLR-OAHLLOKOSA-N 472.347 2.359 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2cnnn2C)C1 1301566935 CNWPSDXMRHHQPS-JZXOWHBKSA-N 458.567 2.007 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCc2ccc(OC)cc2C1 1301596717 WZMOSBYHKQZNBA-RXVVDRJESA-N 476.599 2.174 30 10 JEEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CCN2[C@H](C)CC[C@H]2C)CC1 1301609656 MPXLWKNSDISYIH-AQNXPRMDSA-N 461.680 2.143 30 10 JEEE Cc1ccc([C@H](Cn2c(C(=O)NC(C)C)nnc2N(C)C[C@@H](C)C#N)N2CCOCC2)cc1 1304270414 BVAMNBDNBVNGAS-FPOVZHCZSA-N 453.591 2.394 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCCO3)n2C[C@]2(C)COCCO2)c1 1358902625 UQXUDYCZJWZATR-GBXCKJPGSA-N 453.543 2.381 30 10 JEEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(N2CCOCC2)c(F)c1 1358952586 QQNLYWQDSAJIJT-UHFFFAOYSA-N 468.558 2.363 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1CCC(=O)NC1CCCCC1)[C@H]1CCS(=O)(=O)C1 1358963286 FOOUXBHIXZRULA-IBGZPJMESA-N 463.648 2.332 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccc(Br)cc2)n1CC(C)(C)C(=O)NC 1358982275 QCZKRYSSRKSGLB-UHFFFAOYSA-N 458.360 2.465 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCn1cccn1 1358994828 XGQCZECZOZMKJQ-HXUWFJFHSA-N 467.574 2.336 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1359045905 XSWFWYHHESMOHB-FQEVSTJZSA-N 483.016 2.403 30 10 JEEE C#CCSCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCN(CCOC)CC1 1359055080 SAIFZYVRZXIOLB-UHFFFAOYSA-N 451.600 2.266 30 10 JEEE C=C(C)COCCn1c(-c2ccc(Br)s2)nnc1N1CCO[C@@H](C(=O)NC)C1 1359128250 OHFRJAXUJOBQLD-CYBMUJFWSA-N 470.393 2.313 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCS(=O)(=O)NC)CC1 1359182257 YTTUDEZBMKZUHT-KRWDZBQOSA-N 468.624 2.302 30 10 JEEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CC1(N(C)C)Cc2ccccc2C1 1359278130 JATVCEGGSXJPCW-UHFFFAOYSA-N 452.603 2.252 30 10 JEEE C=CCn1c(N2CCN([C@@H](C)C(=O)NC3CCCC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1359290688 MKRKXQAQIGOBBD-CYFREDJKSA-N 460.623 2.074 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1359292857 ZIUYNMBDGRJHAJ-HLIPFELVSA-N 484.557 2.054 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1359296062 VWCNPEWVIVXOED-IVZQSRNASA-N 461.950 2.294 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCC2=CCCCC2)C1 1359321859 MUYDIQFXIXDKTD-WOJBJXKFSA-N 465.620 2.283 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H](C(=O)OC)C1 1359336343 MNRSPIDCDONPDB-KZNAEPCWSA-N 468.620 2.187 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCN1CCCCC1=O 1359472208 HQURWEJHYABERB-KRWDZBQOSA-N 462.558 2.190 30 10 JEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(Oc2ccc(C(=O)N(C)C)cn2)CC1 1453245106 TWQPKJQNEBLNKH-IBGZPJMESA-N 458.559 2.460 30 10 JEEE N#C[C@@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccccc2Br)C1 1505314528 FTVISNGRZCSOQG-KDOFPFPSSA-N 468.352 2.433 30 10 JEEE N#Cc1ccc(-c2nnc(N3CCN(CC(F)(F)F)CC3)n2CCS(=O)(=O)CC2CC2)cc1 1505316084 FMSZBRWPPVHGLD-UHFFFAOYSA-N 482.532 2.326 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1507517101 GARNGQFAZFWYIZ-XUJKJYMVSA-N 473.597 2.123 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CC2(SC)CCN(C)CC2)c1 1507551802 ZNSWUKDLNHFXOR-HXUWFJFHSA-N 495.653 2.113 30 10 JEEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2ccnc(C)n2)CC1 1507570393 NWPOOCGGJFWFOF-UHFFFAOYSA-N 464.599 2.498 30 10 JEEE C#CCN(c1nnc(-c2cn(C)c3ccccc23)n1CCC(=O)N[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1507631733 SNKDNPXWOQREJZ-OALUTQOASA-N 496.637 2.368 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)Oc1ccccc1OC 1507669667 PDJKAEQWPPPPQE-MOPGFXCFSA-N 456.568 2.119 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc(F)c2F)CC1 1507752233 WYNGJGYIIYCHQY-MRXNPFEDSA-N 481.594 2.151 30 10 JEEE C=CC[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1)c1ccccc1 1507928590 KSWVGWXENSFUAD-ZRCGQRJVSA-N 488.589 2.413 30 10 JEEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 1507954613 OSHMJSVHTCTMIP-LJQANCHMSA-N 475.590 2.177 30 10 JEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 1507968106 QCHMGIMWKNBDQL-CTNGQTDRSA-N 493.674 2.248 30 10 JEEE C=CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1508048819 ZTIQUTNTHMKWMH-DYESRHJHSA-N 453.547 2.418 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCN(c2ccccc2F)C[C@@H]1C 1508139036 CMNWOJNCEKQUIU-KRWDZBQOSA-N 471.562 2.190 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1508144320 PLHLSRGEBZZXCS-QHCPKHFHSA-N 488.589 2.094 30 10 JEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CC[C@H](Oc2ccccc2Cl)C1 1508144601 VMMGDSUWEHVNQV-KRWDZBQOSA-N 494.017 2.312 30 10 JEEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCC[C@H](C)C2)CC1 1508258786 HCFZBFGLTYNWNP-IBGZPJMESA-N 451.575 2.129 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(F)cc2Br)n1CCOCCS(C)(=O)=O 1538992204 NEXQGBKEMQDDHR-CYBMUJFWSA-N 473.368 2.366 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1CCOc1ccc(Cl)cn1)[C@H]1CCS(=O)(=O)C1 1539210314 CONJLGXILKRDIH-KRWDZBQOSA-N 472.958 2.094 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1CCCCc1nc(C)cs1)[C@H]1CCS(=O)(=O)C1 1539216524 UAVBNSCEOLAMJO-KRWDZBQOSA-N 471.612 2.150 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1CC[C@H]1C[C@H](F)C1)[C@@H]1CCS(=O)(=O)C1 1539224215 DFHHUAHGJHUYNB-JFIYKMOQSA-N 451.593 2.399 30 10 JEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@H](c1cccs1)N1CCOCC1 1539272883 FZBBDIJCHTURKW-LJQANCHMSA-N 494.646 2.477 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCN1CCOCC1(C)C 1539291173 NMGRGAAGNQBBEN-UHFFFAOYSA-N 483.016 2.435 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H](c2cccc(OC)c2)N(C)C)CC1 1539462655 KOTYVHKHDYKUAL-QTJGBDASSA-N 482.629 2.069 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OCCC)cc1 1539556696 HDEXZSHNKHNNCE-XUZZJYLKSA-N 487.626 2.440 30 10 JEEE C=C(Cl)Cn1c(N2CC[C@@H](N3CCN(C(C)C)CC3)C2)nnc1[C@@]1(OCC)CCOC1 1539821398 ZVVNTHUILWNYHZ-DENIHFKCSA-N 453.031 2.287 30 10 JEEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2cc(C)ccc21 1540037090 BADYJOYKZDTQEX-FQEVSTJZSA-N 461.588 2.206 30 10 JEEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccccc2[C@H]1C 1540037502 MRVIZRXPWWAKAG-WIYYLYMNSA-N 475.615 2.327 30 10 JEEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 1540859879 RARNXFLLQXTBOL-UHFFFAOYSA-N 465.583 2.216 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1540866982 HDGLKHCYDXXJGB-SUMWQHHRSA-N 469.464 2.421 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1540867577 AAKQRTGFSGPHOY-KRWDZBQOSA-N 450.522 2.282 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(C)=O)C[C@H]1C 1540897821 SXLOTAGAYYDGMZ-IAGOWNOFSA-N 479.578 2.215 30 10 JEEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1540913073 HJEUAZCPHFSSGL-SFHVURJKSA-N 472.663 2.167 30 10 JEEE COCCOC[C@]12CN(c3ccc(C#N)c(C(F)(F)F)c3)C[C@H]1CCN(S(=O)(=O)N(C)C)C2 1548365901 RMDGYEVXMAPLDM-YLJYHZDGSA-N 490.548 2.175 30 10 JEEE CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 1561143738 BGMYAKRCTBWCHA-UONOGXRCSA-N 458.382 2.221 30 10 JEEE COC(=O)c1ccccc1S(=O)(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1561726474 GUCZIFPCDGUUFL-UHFFFAOYSA-N 451.508 2.246 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H](CC)CS(=O)(=O)c2ccccc2)ccc1F 1583235195 XTEZXFOSYWUURT-MRXNPFEDSA-N 454.545 2.272 30 10 JEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1Cc1cnn(CC)c1)[C@H]1CCS(=O)(=O)C1 1588059088 JCSUETKCPVIJLK-FQEVSTJZSA-N 473.002 2.414 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1Cc1ccnc(SC)c1)[C@@H]1CCS(=O)(=O)C1 1588064241 DOUVKKOYVRDAIW-GOSISDBHSA-N 488.664 2.426 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1588181468 UYCAUDQHRQWDTB-LPHOPBHVSA-N 452.490 2.008 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H](c1ccco1)N(C)C 1588628505 KFIUXERISPWOIN-HXUWFJFHSA-N 475.553 2.174 30 10 JEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CC(=O)Nc2c(C)cccc2C)CC1 1588864557 FWJHLUXOQMHEFZ-UHFFFAOYSA-N 460.586 2.150 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccc(OCC(F)(F)F)nc2)CC1 1588969200 WZTKLFFSUHGYGO-GOSISDBHSA-N 492.502 2.480 30 10 JEEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](CN2CCOCC2)C1 1589110007 NFJLYGNHOVQTET-OAQYLSRUSA-N 466.611 2.254 30 10 JEEE C=C(Br)Cn1c(N2CC[C@@](C)(N3CCOCC3)C2)nnc1[C@@]1(OCC)CCOC1 1589459914 GSTJFRMAIMDYQC-WOJBJXKFSA-N 470.412 2.140 30 10 JEEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(OC)CC1 1594625963 JKYFYQZVQFQTRB-NQIIRXRSSA-N 455.625 2.363 30 10 JEEE C=CCCCn1c(-c2cnn(C)c2)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1594714620 YYHXOZGZXCWENO-UHFFFAOYSA-N 455.588 2.297 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1595517509 ZTOILUAKMFCSHU-UHFFFAOYSA-N 497.625 2.046 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN([C@H](C)c2cccc(OC)c2)CC1 1595562101 NQBFBWQGTGNVNA-HXUWFJFHSA-N 475.597 2.458 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCN(C(=O)OC)[C@@H](C)C2)cc1 1595608600 UXFMQVYFJVGNMN-SFHVURJKSA-N 468.558 2.404 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1595760808 UDZFQKOPEWEYJN-KRWDZBQOSA-N 463.652 2.065 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCc2oncc2C1 1595766094 MDZFDERIEIYROV-UHFFFAOYSA-N 467.349 2.187 30 10 JEEE CC(C)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCc2cnn(C)n2)[C@H](C)C1=O 1607484997 DPVVWLXWGSOEFA-GOSISDBHSA-N 461.574 2.271 30 10 JEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCN([C@H](C)c3ccccc3F)C2=O)cc1 1628258378 XAASYCCNPUIGQA-IIBYNOLFSA-N 457.527 2.219 30 10 JEEE C#CC[C@]1(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2O)CCCN1C(=O)OC(C)(C)C 1649131236 VBYCINHWHWKMBP-SAHWJRBASA-N 451.564 2.266 30 10 JEEE COC(=O)[C@H](NCC(=O)N1CCN([C@H](C#N)C(C)C)CC1)c1ccccc1OC(F)(F)F 1655604680 DFWBISZLDVCDLF-VQIMIIECSA-N 456.465 2.081 30 10 JEEE COC(=O)C1(NCc2ccc(OCc3cccc(C#N)c3)c(OC)c2)CCS(=O)(=O)CC1 1658389065 BHQDWLDDRUTRLY-UHFFFAOYSA-N 458.536 2.356 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1CCCOc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1689986589 SUHSFGPRWYBZLM-HXUWFJFHSA-N 481.578 2.445 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1C[C@H]1[C@H](C)CCN1C(=O)OC(C)(C)C 1689998232 GJLVBWRENKNYSC-MOPGFXCFSA-N 454.575 2.232 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1CC1([S@](C)=O)CCC1 1690092398 GUIDIEIELNLCPA-YTTGMZPUSA-N 457.575 2.481 30 10 JEEE C#CCN(CCOC)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccnc(C(F)(F)F)c1 1690095428 PZNUNHCEWJGDEL-FQEVSTJZSA-N 453.465 2.478 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2OC)nnc1N1CCN(C(=O)COC)CC1 1690244303 VZBBPGJTWFBHJH-GCJKJVERSA-N 455.559 2.230 30 10 JEEE C=C(Cl)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(CCOC)[C@@H](C)C1 1690334152 FTIHRPCEQJUTCS-KRWDZBQOSA-N 483.038 2.105 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CC(=O)N(C)[C@@H](C)C1 1690660339 FJNHJVWUSAETOD-SFHVURJKSA-N 461.570 2.322 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2CCNC(=O)C2CC2)C1 1690687952 LMODIUOZGIPNEI-MRXNPFEDSA-N 463.380 2.354 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1690715329 IZOJPWZLYIBJKM-NRFANRHFSA-N 497.625 2.008 30 10 JEEE CN(C)S(=O)(=O)CCn1c(N2CCCN(c3ccccc3C#N)CC2)nnc1C(C)(C)C 1696623564 CQUKNNHQARYWLK-UHFFFAOYSA-N 459.620 2.055 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2C[C@@H](C)N2CCN(CC)CC2)c1 1705505579 QKLZOISXAUCPSQ-OAQYLSRUSA-N 486.624 2.422 30 10 JEEE C#CCCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1705520689 BZLXFILAAODSRN-MRXNPFEDSA-N 491.379 2.114 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1CC1(COC)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1705563670 CDSJAAVSOQXYKJ-LJQANCHMSA-N 488.610 2.024 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCOc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1705567542 XKYHZGGWQHOQOD-IEBWSBKVSA-N 462.547 2.017 30 10 JEEE C#CCN1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CCCCCOC)CC1 1705634637 DYWXDFGCSBICHH-UHFFFAOYSA-N 473.647 2.119 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1705645116 LGDCWHGUKHZCIN-ATLLOTDBSA-N 485.560 2.063 30 10 JEEE C=CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1705892332 XQKYBWPBTQGTHP-LJQANCHMSA-N 463.586 2.484 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 1705931877 DGWRTRGFFKNLQK-IBGZPJMESA-N 488.658 2.359 30 10 JEEE C[C@H](C#N)CN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H](C)N1CCOCC1 1706069395 BSBQRRNGEWQSLD-SJORKVTESA-N 459.982 2.178 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCc1cccnc1)[C@H]1CCS(=O)(=O)C1 1722359845 WMAYTHXEVGKTDG-QFIPXVFZSA-N 492.605 2.412 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCC=CO1)[C@H]1CCS(=O)(=O)C1 1722360517 UUVHVPYIVFZJMU-RBUKOAKNSA-N 457.512 2.173 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1CCN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1722361930 KJMHEHQNZXRRLL-LJQANCHMSA-N 487.626 2.075 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H](c1cccc(OC)c1)N(C)C)[C@H]1CCS(=O)(=O)C1 1722362111 SESVEPGLQLXCAT-SIKLNZKXSA-N 482.610 2.211 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCCc1c[nH]nc1C)[C@@H]1CCS(=O)(=O)C1 1722364311 YTOCFNZJPCKJDI-GOSISDBHSA-N 473.990 2.285 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC1(OCC)CCCC1)[C@H]1CCS(=O)(=O)C1 1722365314 DDIOHRPBIOSEDU-MOPGFXCFSA-N 450.605 2.148 30 10 JEEE C#CCN(c1nnc(C2CC2)n1Cc1c(Cl)c(C(F)(F)F)nn1C)[C@@H]1CCS(=O)(=O)C1 1722368527 RQLBAQJNPQWEFH-GFCCVEGCSA-N 476.912 2.236 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@@H]1CCO[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1722369749 GBKKTQSMTNBMRT-GGPKGHCWSA-N 476.574 2.438 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@]1(C)CCO[C@@H]1C1CC1 1722375448 OPSXLAMQHOLJQN-RDGATRHJSA-N 481.622 2.473 30 10 JEEE C#CCN1CCN(c2nnc(-c3c[nH]c4ccccc34)n2CCS(=O)(=O)C(C)(C)C)CC1 1722438195 OGCRVIJPLCWWQI-UHFFFAOYSA-N 454.600 2.395 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCc2ccsc2)CC1 1722444502 ZGRVHXUYLQQRNY-QHCPKHFHSA-N 457.600 2.200 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H](CNC(C)=O)C1 1722494163 LSSFDAHDGRQJMB-NRSPTQNISA-N 470.530 2.176 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1722496791 NDQQHBIVHYEORX-PKOBYXMFSA-N 481.022 2.446 30 10 JEEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1722608732 LFOVBOYRDYZPIR-MRXNPFEDSA-N 463.564 2.089 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCC(OC[C@H]2CCOC2)CC1 1722697231 XUSABSLKBZWVJH-SFHVURJKSA-N 455.559 2.278 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC(Oc2cncc(Cl)n2)CC1 1722726637 DLIYHSURWKJNKQ-UHFFFAOYSA-N 477.978 2.365 30 10 JEEE CCOC(=O)N[C@@H](CC(C)C)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](C(N)=O)C1 1728703950 GYEWOKFEEAJRTM-OALUTQOASA-N 453.547 2.289 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCCN1CCC[C@@H]1CO 1740550867 RNDQAQKDWMLLBZ-PWRODBHTSA-N 490.649 2.281 30 10 JEEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCC(=O)NC(C)C 1740560894 RQXQCVLGOCEHAE-NRFANRHFSA-N 451.619 2.015 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C)N2CCC[C@H](C)C2)c1 1740561784 BRKFZWUOKARFDH-IPJJNNNSSA-N 477.613 2.406 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Cl)n1CCN1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 1740619855 AGGONSNAQGXBMH-GOSISDBHSA-N 460.003 2.487 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1CCCCCS(C)(=O)=O 1740632640 MWYYORRBIFDPEU-UHFFFAOYSA-N 466.405 2.334 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2CC[S@](=O)C(C)(C)C)CC1 1740700390 RHQYPEXYIAAHQK-YTTGMZPUSA-N 459.616 2.168 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CCCOC[C@H]2CCOC2)CC1 1740702104 VYXYJFRLVKWRJE-LJQANCHMSA-N 455.559 2.256 30 10 JEEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N(C)CC(=O)Nc1cccc(C#C)c1 1740715460 APQJGSYQNRUDNN-UHFFFAOYSA-N 476.562 2.428 30 10 JEEE C#CCSCCn1c(N2CCC(C(N)=O)(c3ccccc3)CC2)nnc1[C@]1(OCC)CCOC1 1740724321 ZOIPGXWYWJXNKO-VWLOTQADSA-N 483.638 2.320 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)Oc1cccc(F)c1 1740732312 YPZDFVSTYJWFJA-KPDCDPCYSA-N 491.589 2.210 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1740955368 SHKXKEQWSRDUAE-HNNXBMFYSA-N 482.507 2.337 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@H](C(=O)OC)C1 1740987306 RVIYUEZUDWVTEC-HOTGVXAUSA-N 466.535 2.157 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCC(F)(F)F)nc1 1741130979 CRUFQOBMBVWRIH-HIFRSBDPSA-N 472.493 2.160 30 10 JEEE CCN1C[C@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(OC)CCOC2)C[C@H]1C 1746382803 AMDCRJIZEBKSSE-IMWIBFENSA-N 454.575 2.453 30 10 JEEE C#CCCCn1c(-c2cccc(OC)c2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1748734541 GGXBKRUEVMNEQE-UHFFFAOYSA-N 463.542 2.424 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCCN1CCC)[C@@H]1CCS(=O)(=O)C1 1748815330 OXINBVZQLIRTIT-VQTJNVASSA-N 456.616 2.150 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCc1ccc(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1748817525 LRQBCAUAMNTGKT-UXHICEINSA-N 488.610 2.059 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1Cc1cccc(Br)n1)[C@H]1CCS(=O)(=O)C1 1748817556 MHLSEDFJQJQQSJ-INIZCTEOSA-N 466.405 2.309 30 10 JEEE C#CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(S(C)(=O)=O)CC1 1749038866 XXZXWUWFFCZWCK-IBGZPJMESA-N 462.597 2.170 30 10 JEEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cc(C)ccc2C)CC1 1749213220 HNVOKRYCNZCJQW-FQEVSTJZSA-N 476.647 2.424 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(Cl)cc2OC)CC1 1749303616 LZVSWFFXMCHSLF-IBGZPJMESA-N 482.006 2.478 30 10 JEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2ccc(C)cc2)CC1 1749457714 OUZJLYLMMKEPTQ-NRFANRHFSA-N 487.626 2.044 30 10 JEEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(COC)CCOCC2)CCO1 1749575768 CQUVXENKULIBBR-NRFANRHFSA-N 471.558 2.024 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CCCN(C(C)=O)C1 1760100732 DOLVOCICAZHOEO-VQIMIIECSA-N 471.631 2.263 30 10 JEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H](CC)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1760179578 UVDZLEIVICZKIS-CTNGQTDRSA-N 469.611 2.335 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1Cc1occc1C)[C@H]1CCS(=O)(=O)C1 1760192248 SFRDRYJCZAQHAW-IBGZPJMESA-N 465.535 2.305 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC)n2Cc2ccnc(OCC(F)(F)F)c2)CC1 1760270457 PSMCHWUBHVELRG-UHFFFAOYSA-N 450.465 2.191 30 10 JEEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2nc3ccccc3o2)CC1 1760352659 VEWIWMWEDPKEBJ-UHFFFAOYSA-N 453.547 2.477 30 10 JEEE C=C(Cl)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1760368693 KESUOAHRYONVAP-HOTGVXAUSA-N 467.935 2.062 30 10 JEEE C=CCCOCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCOCC1 1760451543 LXFGOTBMCNBRMI-SFHVURJKSA-N 451.568 2.406 30 10 JEEE C=CCCOCCn1c(N2C[C@H]3CCC(=O)N[C@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1760453462 XEOCRFQGXUFZAP-YRXWBPOGSA-N 474.606 2.356 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21)C(C)C 1760490035 ONZDCDDPCUXTQF-UWHLTILDSA-N 469.634 2.175 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1760552355 LBVMQZBUXBTTRF-UHFFFAOYSA-N 479.610 2.078 30 10 JEEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1760564423 ZBEXIHIUWDJZPX-BGYRXZFFSA-N 484.674 2.281 30 10 JEEE CC(C)(C)OC(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cnccn2)CC1 1760790619 BZSCIDFJAXFPRX-UHFFFAOYSA-N 475.557 2.458 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@H]1CCC[C@H](O)C1 1761236303 CLMOUXRECMENBY-VXKWHMMOSA-N 465.602 2.161 30 10 JEEE CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCOC[C@@H]2OC)CCN1CCOC 1765246215 DVKJACYBSZMPHA-ZLNRFVROSA-N 468.602 2.415 30 10 JEEE CCn1nc(-c2nnc(N(C)[C@H](C)CC#N)n2C[C@H](C)N2CCOCC2)c2ccccc2c1=O 1767158832 ABZUIOVSBRZDSO-MSOLQXFVSA-N 464.574 2.134 30 10 JEEE N#Cc1cccc(C(=O)Nc2cccc(OCC(=O)Nc3ccc(S(N)(=O)=O)cc3)c2)c1 1860132626 GEHOCINFSVFHOG-UHFFFAOYSA-N 450.476 2.475 30 10 JEEE COCCN(CCOC)C(=O)[C@H](NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1)C(C)C 1868782222 FKUHOQCPODFEQC-PZJWPPBQSA-N 464.632 2.287 30 10 JEEE C=CCn1cc(OCC(=O)NC[C@@H]2CCCO2)c(=O)cc1CNc1ccc(N2CCN(C)CC2)cc1 1870982717 DRWGGXDMBKVFMX-DEOSSOPVSA-N 495.624 2.072 30 10 JEEE C#CCOc1cn(CCc2ccc(S(N)(=O)=O)cc2)c(CNc2ccc(OC)c(OC)c2)cc1=O 1871008770 NDIWNRFWHXMSJZ-UHFFFAOYSA-N 497.573 2.380 30 10 JEEE C=CCN=c1nc(N2CCN(c3ccccc3OC)CC2)[nH]c(=Nc2cccc([N+](=O)[O-])c2)[nH]1 1871517826 FBSVSCDDILVSAX-UHFFFAOYSA-N 462.514 2.300 30 10 JEEE COc1cccc(/C=N/n2c(CNC(C)=O)nnc2SCC(=O)Nc2ccccc2F)c1O 1874430865 BITSSIAMNTXVKF-YSURURNPSA-N 472.502 2.381 30 10 JEEE COC(=O)c1ccc(CSc2nnc(CNC(C)=O)n2/N=C/c2ccc(O)c([N+](=O)[O-])c2)o1 1874433765 XDSYDZPHRRMWKW-ODCIPOBUSA-N 474.455 2.082 30 10 JEEE CC(C)N1C(=O)CS[C@H](C(=O)N2CCC([C@H]3CNC(=O)O3)CC2)[C@H]1c1ccc(C#N)cc1 1889995132 ASMOCJQGTHQWLZ-NRSPTQNISA-N 456.568 2.299 30 10 JEEE C=CCn1ncc(NCCn2cnc(I)c2)c(Br)c1=O 2237125299 DZEHZTCIJATQBX-UHFFFAOYSA-N 450.078 2.105 30 10 JEEE Cn1cc(C(=O)N[C@H]2CCCN(C(=O)OCc3ccccc3)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2255825982 IWPRCTHHHXPEBA-SFHVURJKSA-N 468.363 2.250 30 10 JEEE C[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)O)c1cscc1B1OC(C)(C)C(C)(C)O1 2256626178 GXGBSNAPVAJMKK-XEZPLFJOSA-N 454.398 2.499 30 10 JEEE Cc1sc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2O)cc1B1OC(C)(C)C(C)(C)O1 2267122882 PTOAVHYOLGJOLL-HOTGVXAUSA-N 466.409 2.456 30 10 JEEE C[C@@H](CCN(C)C(=O)OC(C)(C)C)N(C)C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2267183710 HYWZLXDJSSAFFF-HNNXBMFYSA-N 450.389 2.437 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC2CC3(C2)C[C@@H]3NC(=O)OCc2ccccc2)n1 2267496851 FKCLXHALCAELNO-HTHJYTGDSA-N 480.374 2.297 30 10 JEEE C[C@H](CNC(=O)OC(C)(C)C)N(C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(O)cc1O 2267810629 JLPHOUPHFLYGEN-CYBMUJFWSA-N 450.341 2.382 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@H](CC(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)C1 2268646604 UQHVTSXCQCZOBL-CQSZACIVSA-N 467.397 2.085 30 10 JEEE CC(C)(C)OC(=O)NCC(C)(C)OCCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2278314889 AIIDPEZEBVNSSZ-UHFFFAOYSA-N 451.373 2.364 30 10 JEEE CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]2B2OC(C)(C)C(C)(C)O2)C1 2281930026 HGTILVNETRRXMZ-IKGGRYGDSA-N 465.400 2.348 30 10 JEEE Cc1c(C(=O)NC[C@H]2CCC[C@H]2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281990060 ICZYGLGXYKUOHI-HZPDHXFCSA-N 462.400 2.451 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(NS(=O)(=O)Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2282505559 GAKAGOBOKBMCCN-UZUQRXQVSA-N 478.420 2.415 30 10 JEEE Cn1cc(C(=O)NCC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2282541816 DPJUCIHVCOZOTE-INIZCTEOSA-N 462.400 2.486 30 10 JEEE Cc1ccnc(C(=O)NC[C@H]2CN(C(=O)OCc3ccccc3)CCO2)c1B1OC(C)(C)C(C)(C)O1 2282556421 HQVXPLGTLGHLNL-FQEVSTJZSA-N 495.385 2.457 30 10 JEEE CC(C)(C)OC(=O)N1CCCO[C@H](CNC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2282667726 UUTRHLAFFVKALO-MRXNPFEDSA-N 461.368 2.137 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H]1COC[C@@H]1CNC(=O)OC(C)(C)C 2282695538 PHQQMMVHHCJWRL-DOTOQJQBSA-N 463.384 2.077 30 10 JEEE COC[C@@H](ONC(=O)OC(C)(C)C)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1OC 2283946243 LALCLFGLULADGO-QGZVFWFLSA-N 466.340 2.404 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCO[C@H]1C(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)ccc1F 2283981323 KZCHMVDQTBBLCZ-ZWKOTPCHSA-N 464.343 2.423 30 10 JEEE CO[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C1 2284047935 HXKJJQWMIJHNQW-CABCVRRESA-N 481.424 2.473 30 10 JEEE Cc1nc(C(=O)N[C@@]2(C(=O)O)CCN(Cc3ccccc3)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2284435525 OOTVIDCUBWQIEH-QHCPKHFHSA-N 471.388 2.210 30 10 JEEE COC[C@@H](ONC(=O)OC(C)(C)C)C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)c(C)c1 2289463312 JQALNARESIQUJL-GOSISDBHSA-N 464.368 2.382 30 10 JEEE COC(=O)c1cccc2c1c(C=Nn1cnnc1SCC(=O)NCc1ccco1)cn2C 2321876544 AXAZJVVOZFJJDM-UHFFFAOYSA-N 452.496 2.440 30 10 JEEE CCOc1cccc(C=Nn2c(CNC(C)=O)nnc2SCC(=O)NCc2ccco2)c1 2330748040 VCHPGKYVEIZJIF-UHFFFAOYSA-N 456.528 2.197 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H](CO)C(=O)N1CCc2scc(B3OC(C)(C)C(C)(C)O3)c2C1 2336500609 CCKMUSHKXMQDQA-AWEZNQCLSA-N 466.409 2.065 30 10 JEEE CC(/C=C/c1ccccc1)=N\Nc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@H](O)COc1ccccc1 13590325 AXVWXBZADPZSMY-UIEBHVEKSA-N 474.521 2.364 30 10 JEEE COc1ccc(CNC(=O)CSc2n[nH]c(N/N=C/c3c(C)nn(C)c3C)n2)cc1OC 20294185 XSUHZTIIMKUXGN-LSHDLFTRSA-N 458.548 2.027 30 10 JEEE C=CCn1c(=O)c2sc(N(CC)CC)nc2n(CC(=O)Nc2ccc(C(=O)OCC)cc2)c1=O 21655788 BJSIHUXIXPQCPK-UHFFFAOYSA-N 485.566 2.467 30 10 JEEE Cc1ccc(C(=O)/C=C\C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 96926606 FSASDWCNCHPCSW-KHPPLWFESA-N 490.965 2.464 30 10 JEEE N#Cc1cc(S(=O)(=O)NC2CCC(NS(=O)(=O)c3ccc(F)c(C#N)c3)CC2)ccc1F 488912924 BRLRJZFEKOSTLR-UHFFFAOYSA-N 480.518 2.276 30 10 JEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCCN(Cc2cscn2)CC1 727404471 GIECTJQATPZJDK-IBGZPJMESA-N 475.640 2.475 30 10 JEEE CC(=O)Nc1cccc(NC(=O)CSc2nnc(NN=C(C)c3ccc4c(c3)OCO4)n2N)c1 1084133318 YYNWDMNGKRFLGC-UHFFFAOYSA-N 482.526 2.246 30 10 JEEE COc1ccc(NC(=O)CSc2nnc(NN=Cc3ccc([N+](=O)[O-])cc3)n2N)c(OC)c1 1084204618 CUOKLYKHNVRHQF-UHFFFAOYSA-N 472.487 2.094 30 10 JEEE COc1ccc(C(=O)CSc2nnc(NN=Cc3cc([N+](=O)[O-])ccc3O)n2N)cc1OC 1084368348 DCKPPBJEAFBUGA-UHFFFAOYSA-N 473.471 2.044 30 10 JEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC([C@@H](O)C(F)(F)F)CC3)CC2)cc1 1151994505 HERYYRJYWKKAGH-GOSISDBHSA-N 459.490 2.121 30 10 JEEE C=CCCC[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1)C(=O)OC 1155474599 HEZKPIKGCKYUQV-CRAIPNDOSA-N 453.517 2.010 30 10 JEEE C#CCn1ccc(CN(CCOC)C(=O)[C@H]2CC(=O)N(C3CC3)[C@@H]2c2cccc(OC)c2)n1 1271204318 IKFSUARIWJFZCH-LADGPHEKSA-N 450.539 2.252 30 10 JEEE C#CCN(c1nnc(-c2ccccc2F)n1CC1(C(=O)NCC)CCC1)[C@H]1CCS(=O)(=O)C1 1286387277 PRFNIKPRHPJHKI-KRWDZBQOSA-N 473.574 2.017 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H](Cc1ccccc1)OC)[C@@H]1CCS(=O)(=O)C1 1286396161 VQDUDZOELXGCSQ-DHIUTWEWSA-N 479.606 2.148 30 10 JEEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCSCc2ccccc2F)CC1 1286484204 GFEAJADWEQCHPE-UHFFFAOYSA-N 456.591 2.228 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H](C)CN2CCCCC2)CC1 1286488834 VPPADVINQLTIPF-HFZDXXHNSA-N 486.661 2.018 30 10 JEEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(CC(N)=O)CC1 1286630337 SBQGRZMQBZOELJ-INIZCTEOSA-N 468.986 2.431 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1286778522 BSYNAMNZSPJFPP-JXFKEZNVSA-N 469.521 2.171 30 10 JEEE C=CCNC(=O)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CC[C@H](S(C)(=O)=O)C1 1286778688 DBSPRJHINYBKMU-KRWDZBQOSA-N 486.623 2.303 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1286781560 UJXIDDJSWNBTPX-OALUTQOASA-N 453.591 2.368 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCN(CCOC)[C@@H](C)C1 1286783824 MZMMSQHSGATCKX-HNNXBMFYSA-N 495.397 2.306 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCCN(C(=O)c2cccc(F)c2)CC1 1286787033 BARGBSAOAXPASG-FQEVSTJZSA-N 470.549 2.314 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCC(COC)CC1 1286787363 TZTYLLPUPLAUFX-UHFFFAOYSA-N 479.585 2.230 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@H]1CCOC1 1292123696 IFFBWKPEPCODLA-OAQYLSRUSA-N 465.602 2.427 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](OC)[C@H](C)CC)c1 1300334197 IIPFKUUUXRJKLI-YFVAEKQCSA-N 487.626 2.298 30 10 JEEE C#CCCCn1c(COc2ccccc2CC)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1300423058 GNQLSYPNTFLBIQ-UHFFFAOYSA-N 478.597 2.104 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(Br)c2)n1CC(=O)NCC=C 1300569449 LPEOWBUXPJAOCF-UHFFFAOYSA-N 456.344 2.481 30 10 JEEE COc1ccccc1Cc1nnc(N2CCO[C@@H](C#N)C2)n1CCNC(=O)c1cccs1 1300573449 GWCSDHNFKJZIAP-KRWDZBQOSA-N 452.540 2.098 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cc(Br)cn2C)n1Cc1nnn(C)n1 1300643057 ODVZGPCCTNKNSJ-UHFFFAOYSA-N 484.337 2.397 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2Cc2nc(C(F)(F)F)cs2)CC1 1300683764 SMDCJGUMTXLXOA-AWEZNQCLSA-N 458.510 2.281 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CC(=O)NCC2CC2)CC1 1300710092 RTSYGMJCLCKJGB-UHFFFAOYSA-N 477.396 2.445 30 10 JEEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1300756677 RSFOLZVOXIJYPZ-UHFFFAOYSA-N 493.637 2.253 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1300875312 OQHKOMIJDGHTDF-UHOSZYNNSA-N 467.636 2.191 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1300877583 YRIQDMOYYWEVDL-TYPHKJRUSA-N 488.633 2.005 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(CCOCC)CC1 1300889267 BMHKTGYOWUGRQI-FYYLOGMGSA-N 457.623 2.279 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N1CCN(C2CCC2)CC1 1301569323 VVUGIPUKQPIHSR-UHFFFAOYSA-N 497.463 2.321 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1301586647 HRRREBSTNJZPTA-UNMCSNQZSA-N 491.633 2.156 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCO[C@@H](C(C)(C)C)C2)nnc1[C@]1(OC(C)C)CCOC1 1301596707 WSYLAIHNDZJBQY-GCJKJVERSA-N 470.636 2.171 30 10 JEEE CC(=O)N1CCC[C@H](Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3cccc(F)c3C#N)CC2)C1 1301677514 FMSMQGDNIHSPIJ-IBGZPJMESA-N 496.591 2.012 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1358869991 BYNAPOUJENTZBA-LNLFQRSKSA-N 458.586 2.001 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CC(c2ccccc2)C1 1358890483 PZYGIBPBQLRRER-SDEKRAFDSA-N 457.600 2.263 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@](C)(O)c1cc(C)oc1C)[C@@H]1CCS(=O)(=O)C1 1358961373 XMHVQESDZFLKOV-JPYJTQIMSA-N 469.567 2.084 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@@](C)(O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1358963008 AGSLUQVACJLQGC-OPAMFIHVSA-N 466.554 2.181 30 10 JEEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1C[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1358966077 HMYGYQIRVLCSGD-WOJBJXKFSA-N 458.584 2.137 30 10 JEEE C#CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1CCN(C)C(=O)OC(C)(C)C 1359025881 BQDYGEHQPLYRFB-UHFFFAOYSA-N 467.574 2.470 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H]2OCCC2(C)C)CC1 1359028950 KGOTUGVGWVLPKN-HXUWFJFHSA-N 471.005 2.432 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@](C)(O)c2ccccc2Cl)CC1 1359030237 RAFGPRNTWXNTEI-FDDCHVKYSA-N 461.994 2.318 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H](C(C)C)N2CCOCC2)CC1 1359032947 KBEKCWQUYYGGLZ-QHCPKHFHSA-N 482.629 2.074 30 10 JEEE C=C(Cl)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1359144950 ZPKXBMIUKBPCGT-IBGZPJMESA-N 471.004 2.116 30 10 JEEE C=C1CCN(c2nnc(COc3ccc(OC)cc3)n2CCS(=O)(=O)N2CCSCC2)CC1 1359168699 FPXVFWAFIBVVSY-UHFFFAOYSA-N 493.655 2.401 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCS(=O)(=O)C1 1359275038 IYBJPAIBGZLKAJ-NHCUHLMSSA-N 492.667 2.240 30 10 JEEE C=CCSCCn1c(Cc2ccccc2F)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1359343835 CPNAAZUPYNXILT-SFHVURJKSA-N 458.563 2.400 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1CCN1CCOC[C@H]1C 1360211254 BVIQHFXEUVYAMI-LJQANCHMSA-N 481.601 2.056 30 10 JEEE C#CC[C@H](NC(=O)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1)c1ccccc1 1469448494 PNMYNOCGALIRKP-KRWDZBQOSA-N 455.565 2.472 30 10 JEEE Cc1cscc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCC#N)CC1CC1 1492653292 CYBBKCJXEAROGE-GOSISDBHSA-N 464.617 2.159 30 10 JEEE CCCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)N2CCOCC2)C1 1499877363 BQTXMZHDGXRQLJ-SIKLNZKXSA-N 465.602 2.423 30 10 JEEE CCOC(=O)N[C@H](CC(C)C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)CC#N 1502516599 FBOAPAHHLKGKGX-YESZJQIVSA-N 454.597 2.079 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H](c1ccco1)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1507631328 OBKMCFKLFJVKMX-QUCCMNQESA-N 483.598 2.038 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCOc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1507634551 YXSMMSGKJXNJLC-WOJBJXKFSA-N 458.584 2.268 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1cccc(CS(C)(=O)=O)c1)[C@H]1CCS(=O)(=O)C1 1507634829 QAFCAGJTINPVOA-FQEVSTJZSA-N 492.667 2.086 30 10 JEEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1C[C@@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1507641034 YFSQJKOBMDVECW-NQIIRXRSSA-N 474.583 2.062 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCN1CCOC[C@H]1C 1507677431 ZOJKVZZQUGKKBL-NJYVYQBISA-N 470.618 2.232 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CCc2ncc(CC)s2)CC1 1507739423 HNZFTJUWADFTCY-UHFFFAOYSA-N 463.611 2.491 30 10 JEEE C#CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1507754452 VYZFBTFXXMZKKT-GOSISDBHSA-N 470.618 2.164 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(Br)cn2C)nnc1N1CCN(C(=O)NC)CC1 1507797757 QGSAUDAPPOGCFV-QAPCUYQASA-N 492.422 2.489 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCN(C(=O)N2CCCC2)CC1 1508090923 JHRXXQZACDNPRQ-UHFFFAOYSA-N 481.601 2.114 30 10 JEEE CC(C)(C)[S@](=O)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@@](F)(C#N)C1 1508697594 DAQDWPGXQJUNCI-QTYPKTMWSA-N 481.623 2.227 30 10 JEEE CC(C)CCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccnc1N1CCOCC1 1509296951 FWJXLNKMVVTUEL-HXUWFJFHSA-N 466.590 2.275 30 10 JEEE COC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1)OC 1518719482 CSAYNYDCCKONKP-FPOVZHCZSA-N 454.575 2.467 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cnn(C)c2)n1C[C@@H]1C[C@@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1539002607 VLGYUXPZOVXRTC-NBMJBFSESA-N 455.563 2.161 30 10 JEEE C#CCN(C)c1nnc(CCOc2ccccc2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1539190786 QZACICYISVUKLL-PMACEKPBSA-N 451.550 2.315 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H]1CCCN1CC)[C@@H]1CCS(=O)(=O)C1 1539212771 SNICWZZJQSQYJT-RBUKOAKNSA-N 487.626 2.073 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H](F)COC 1539413241 HPIIJHGQBAEAOR-ROUUACIJSA-N 453.559 2.463 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCCO[C@@H](C)c2ccccc2)CC1 1539427316 ALTQSYOTLQBXPJ-NRFANRHFSA-N 450.587 2.437 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OC)c(OCC)c1 1539539347 SXSSKIUVAIJACV-KSFYIVLOSA-N 461.588 2.336 30 10 JEEE C=C(Br)Cn1c(-c2cnccn2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1539592529 FWXOTXQAHWRUTO-QGZVFWFLSA-N 461.412 2.248 30 10 JEEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(c2nc(C)ns2)CC1 1539953589 SRQBZIFFWNWRGL-HNNXBMFYSA-N 468.653 2.121 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(Cc2csc(C)n2)CC1 1540867198 NYMWWSAAALABGM-UHFFFAOYSA-N 462.583 2.206 30 10 JEEE Cc1ccc(S(=O)(=O)NCCn2c(-c3cnn(C)c3)nnc2N2CCC(CC#N)CC2)s1 1542500341 GYYGVXLGNJAQON-UHFFFAOYSA-N 474.616 2.157 30 10 JEEE C[C@H]1CN(c2ccc(Cn3c(C(=O)Nc4ccccn4)nnc3N(C)[C@H](C)CC#N)cn2)CCO1 1544582098 GALKFEKKESAXNE-MSOLQXFVSA-N 475.557 2.332 30 10 JEEE N#Cc1ccc(N2CCC3(CC2)CN(C(=O)CCn2ccnc2)C[C@H]3C(N)=O)cc1C(F)(F)F 1548375074 AXZMXUYNGUSAGW-IBGZPJMESA-N 474.487 2.394 30 10 JEEE CC(=O)c1ccc(N2CCN(C(=O)Cn3c(C(F)(F)F)ccc(C#N)c3=O)CC2)c(F)c1 1559457253 HOSGZEHIKITXFC-UHFFFAOYSA-N 450.392 2.429 30 10 JEEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC(c3nc(-c4ccccc4)no3)CC2)cc1 1565642470 GCRHHJUVJIOJLD-UHFFFAOYSA-N 451.508 2.293 30 10 JEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(N2CCN(CC(=O)OC)CC2)cc1 1565678796 QSTXUFYNPBZTRZ-HXUWFJFHSA-N 458.559 2.227 30 10 JEEE CC(=O)c1cccc(S(=O)(=O)NCC(=O)N[C@H](C#N)c2ccc(OC(F)(F)F)cc2)c1 1566181327 UYMGNKOXJCWEJA-QGZVFWFLSA-N 455.414 2.447 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1CC(F)(F)CO1 1587567624 IEIDRTIHAOCQKT-DZGCQCFKSA-N 452.531 2.429 30 10 JEEE C#CCN(c1nnc([C@H](C)OCCOC)n1Cc1ccc(C)s1)[C@H]1CCS(=O)(=O)C1 1588034784 LVINVSLKKLRSKX-IRXDYDNUSA-N 452.602 2.047 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1Cc1ccn(C)n1)[C@H]1CCS(=O)(=O)C1 1588040141 IPVBXADTJNDSJY-FQEVSTJZSA-N 498.609 2.149 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1CCOc1ncccc1F)[C@H]1CCS(=O)(=O)C1 1588064391 HJKAVCQPXOBCRB-IBGZPJMESA-N 499.568 2.117 30 10 JEEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1588185783 MCVQFXRJYOGSMF-KNQAVFIVSA-N 483.535 2.045 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccc(COC(C)(C)C)c2)CC1 1588741925 KVJVXXMHBHOJAU-LJQANCHMSA-N 488.658 2.007 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@@H]2CC[C@H](CO)O2)CC1 1588762810 MLJXLBOXSGBIRR-DLBZAZTESA-N 478.366 2.142 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2CCCCN2CCC)CC1 1588763187 SPJHIPLYUIBZKK-QFIPXVFZSA-N 484.670 2.368 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CCC(=O)NC2CCCCC2)CC1 1588954260 CEWKSLPCZAFRJH-UHFFFAOYSA-N 477.613 2.069 30 10 JEEE C=CCCOCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC(NC(C)=O)CC1 1594807469 PMLTUIJRDWMMNW-UHFFFAOYSA-N 479.585 2.373 30 10 JEEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)NC2CCCCC2)CC1 1594807748 YORBEAHCLDKFSA-FQEVSTJZSA-N 473.622 2.423 30 10 JEEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1595314259 KWGZHUWVPXJLSX-AEFFLSMTSA-N 474.993 2.415 30 10 JEEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1595555493 AKDPMQYUHSAGKI-UHFFFAOYSA-N 482.539 2.183 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 1595561808 CMGIHZVGLZVMFZ-FQEVSTJZSA-N 478.532 2.106 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2cc(C(F)(F)F)ccn2)C1 1595672432 AWGJXLIGGPNSRI-YOEHRIQHSA-N 488.536 2.326 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1595784379 FBHZAKIZMKAKRM-HNNXBMFYSA-N 458.510 2.014 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2CC)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1595823347 NIHVJKRSHNJNBM-CYFREDJKSA-N 490.626 2.405 30 10 JEEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1595838305 OPRKEVTYHTYGDJ-INIZCTEOSA-N 464.617 2.248 30 10 JEEE CC(C)N1CCC(O)(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N(C)C[C@@H](C)C#N)CC1 1596798149 FCQJBIHSRHHIDZ-SFHVURJKSA-N 474.631 2.180 30 10 JEEE CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2cccnc2)CC1 1613441307 CUHNDJCHQUAMFG-FQEVSTJZSA-N 472.597 2.491 30 10 JEEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)CC(=O)N1CCC[C@H](C(=O)OCC)C1 1631845077 JTVNTPAORHLLJR-ROUUACIJSA-N 453.580 2.496 30 10 JEEE Cc1ccc([C@@H](Cn2ccnc2)NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)c(C)c1 1636968120 FCOWZJGGSHQJKD-HXUWFJFHSA-N 451.552 2.486 30 10 JEEE Cc1ccc(C[C@@H](CO)NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1C 1638510548 HULUWOQXMSCROV-QFIPXVFZSA-N 455.580 2.296 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](NS(=O)(=O)c2cc(Br)ccc2C#N)[C@H](C#N)C1 1668498174 AMSIWPWBAGIAJI-TZMCWYRMSA-N 455.334 2.358 30 10 JEEE C#CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1689928786 WUZLUEKEUUAZFS-ROUUACIJSA-N 458.563 2.447 30 10 JEEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1CC(=O)NCc1ccco1)[C@H]1CCS(=O)(=O)C1 1689980364 QIFCZZNDOVFTAV-RBBKRZOGSA-N 495.605 2.356 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1ccc(N2CCOC2=O)cc1)[C@@H]1CCS(=O)(=O)C1 1689990450 OQZBCDLAUOZNMN-HXUWFJFHSA-N 485.610 2.498 30 10 JEEE C#CCN(c1nnc(Cc2c[nH]c3ccccc23)n1CCOCC(F)F)[C@H]1CCS(=O)(=O)C1 1689994309 VZBKUYJSMFYNJS-KRWDZBQOSA-N 477.537 2.259 30 10 JEEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1C[C@@H]1NC(=O)CC1(C)C)[C@H]1CCS(=O)(=O)C1 1689996914 RAPXBEGQABUVJD-FPOVZHCZSA-N 499.637 2.015 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@H]2CCC(=O)N2)CC1 1690139342 IRIDMPTZPHOADU-MRXNPFEDSA-N 475.380 2.496 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@H]2CN(Cc3ccccc3)CCCO2)CC1 1690154200 JXXFFQMCPFEVJJ-XMMPIXPASA-N 494.640 2.072 30 10 JEEE C=C(Br)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2nccc(OCC)n2)CC1 1690228684 CSCATVHIECRJHZ-HNNXBMFYSA-N 464.368 2.206 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@@H]2CCCO2)CC1 1690228820 GPKPXSIYOXWIOK-CVEARBPZSA-N 459.410 2.484 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1690248273 MDDVDYCTURVSAG-LAUBAEHRSA-N 463.579 2.472 30 10 JEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1690299555 XKQLPZGGAPBZTJ-UHFFFAOYSA-N 467.549 2.444 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)c2c(F)cccc2Cl)CC1 1690670761 IKMPYWCLIVOEKT-INIZCTEOSA-N 490.967 2.229 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Br)cc2)nnc1N1CC[C@H](OC)C1 1690675819 GNTCXUFNPCKYBQ-INIZCTEOSA-N 450.337 2.147 30 10 JEEE COCCC1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(OCC(N)=O)CC2)CCC1 1697939699 DAEIHTFPUDJWBW-UHFFFAOYSA-N 452.559 2.494 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1Cc1nnc(CC)s1)[C@@H]1CCS(=O)(=O)C1 1705565514 VLVDQLLWYJVUHL-MRXNPFEDSA-N 456.597 2.342 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccc([C@@H](C)O)cc2)CC1 1705644604 WTQQYHOGQBNJKA-GOSISDBHSA-N 480.613 2.264 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1705685524 BQNROZXGYRXWDK-SFHVURJKSA-N 480.455 2.133 30 10 JEEE C=C(C)COCCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1705738654 FSSASLQEFWMERJ-INIZCTEOSA-N 486.527 2.272 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCN(C(C)C)C(C)C)CC1 1705782285 SWXMTVFKFFIKBX-HXUWFJFHSA-N 468.668 2.132 30 10 JEEE C=CCN(CC=C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCCS(=O)(=O)C1 1705870421 IEQUQOTXJSZWJL-GOSISDBHSA-N 493.655 2.199 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@H](C)CC 1705904801 YZNSYIFBFNFVDI-IAGOWNOFSA-N 450.584 2.371 30 10 JEEE CC(C)N1CCO[C@@H](CN2CCN(c3nnc(-c4cccc(C#N)c4)n3CCC(C)(C)O)CC2)C1 1706577251 CEUXHAULYBKQIA-QHCPKHFHSA-N 481.645 2.209 30 10 JEEE COc1cccc(-c2nnc(N3CCC(CC#N)CC3)n2CCS(=O)(=O)N2CCSCC2)c1 1711908460 GRSWQVVMLQAJFJ-UHFFFAOYSA-N 490.655 2.462 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nc2cc(Cl)ccc2s1 1722295196 JNVDNZOYUNCTCP-CZUORRHYSA-N 495.030 2.380 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2csc(CC)n2)c1 1722310406 VMBKUHVRGCRITJ-QGZVFWFLSA-N 498.634 2.304 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2CC2CCS(=O)(=O)CC2)c1 1722310691 ZEPLIPSRICWESJ-HXUWFJFHSA-N 485.610 2.053 30 10 JEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C(=O)N(C)c2ccccc2)C1 1722316501 JCXWOKRKBGHELL-UXHICEINSA-N 469.611 2.473 30 10 JEEE C#CCN(c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1722358997 HOXJBMXPZKWNRO-SFHVURJKSA-N 468.583 2.123 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H](c1ccccc1)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1722367039 LSJYIUNPXBEMPC-DNVJHFABSA-N 485.654 2.492 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(OC(F)F)c2)n1CC1(C(N)=O)CCOCC1 1722388884 AXSUHIOGKCYSDJ-UHFFFAOYSA-N 457.481 2.292 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1CC(C)(C)N1CCOCC1 1722419896 CNMSJSVDUKVGQK-UHFFFAOYSA-N 479.423 2.243 30 10 JEEE C#CCSCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1722455977 XBZZIRWIBWODFS-QGZVFWFLSA-N 494.639 2.351 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1722509924 RFPSIZNXCICYMB-BQJUDKOJSA-N 493.674 2.150 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCN(C(=O)c2ccccc2OCC)CC1 1722690308 HJXZEALUSBQPDB-GOSISDBHSA-N 454.575 2.455 30 10 JEEE C=CCSCCn1c(N2CCCC[C@H](S(C)(=O)=O)C2)nnc1[C@@]1(OCC)CCOC1 1722739404 IMUSTMRXGYNOPH-FXAWDEMLSA-N 458.650 2.253 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1722749194 GMAVJBPLZLNNEH-IBGZPJMESA-N 451.556 2.145 30 10 JEEE C[C@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1726447592 COUJUKINYUPAGV-FUHWJXTLSA-N 491.518 2.280 30 10 JEEE CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2N(C)CCCC2(C)C)CC1 1729728404 HIHDGTQVPTVABW-FQEVSTJZSA-N 450.591 2.399 30 10 JEEE COc1cccc(C(C)(C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)c1 1730209119 DFRVLYZDQNFDIB-VFNWGFHPSA-N 464.567 2.317 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1(C(=O)NCC)CCC1 1740538042 JSGWZWFSDMJQNG-MRXNPFEDSA-N 471.631 2.311 30 10 JEEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCCN1C[C@H](C)O[C@@H](C)C1 1740598792 DOUBBBCIXSMTGF-ROUUACIJSA-N 458.994 2.430 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCCn1nc(C)cc1C)[C@@H]1CCS(=O)(=O)C1 1740620139 OAKHTSYVDCMXNU-OAQYLSRUSA-N 482.610 2.484 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1Cc1cnc(C)s1)[C@H]1CCS(=O)(=O)C1 1740620334 OXMZTOQETZBMKI-SFHVURJKSA-N 452.565 2.257 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1740670921 XBHIQTUVAFZMAM-RTBURBONSA-N 494.662 2.134 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H]2CCCCN2CC)CC1 1740707389 ZWWFMQHRMDCQCZ-OAQYLSRUSA-N 469.659 2.474 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccc2OC)nnc1N1CCO[C@H](CNC(C)=O)C1 1740758836 CLCFOKSRGPBCNK-IMSXRSKXSA-N 469.586 2.200 30 10 JEEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC[C@H](C(F)F)N1CCOCC1 1740897390 FXEIOZYPADXXSE-GOSISDBHSA-N 473.528 2.170 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)N1CCOCC1 1740913774 HHIOVUFKLAJOOM-FPOVZHCZSA-N 489.642 2.102 30 10 JEEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H]2CCC[C@@]1(C)C2 1741003288 QPXDZKMYXOTPAA-HLIPFELVSA-N 455.650 2.299 30 10 JEEE Cc1cccc(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)Cc2cccc(C#N)c2)n1 1742343120 AZIOVHZEGFWLMN-QFIPXVFZSA-N 495.609 2.065 30 10 JEEE CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1CC1([S@@](C)=O)CCC1 1747395532 FKCSBECOGCBANY-BEIWTESXSA-N 463.629 2.377 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccccc1CN1CC[C@H](O)C1 1748646510 AGGCBQJPMJOLKX-KIVTUJJHSA-N 453.587 2.003 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1ccc(O)cc1 1748751644 JHSAURSWZUGMRF-PMACEKPBSA-N 459.572 2.072 30 10 JEEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccccc1S(=O)(=O)N(C)C 1748867883 NXSFCSIEUYMYDV-VWLOTQADSA-N 499.637 2.080 30 10 JEEE C=CC1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCS(=O)(=O)NC)CC1 1749342094 VQWOQUBILCCKJI-UHFFFAOYSA-N 482.651 2.344 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(OC)cc2)CC1 1749342844 QKBWOLQKIQSIGO-FQEVSTJZSA-N 461.588 2.070 30 10 JEEE C=CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1749414502 FHCOQESBFFXFOX-KRWDZBQOSA-N 484.557 2.410 30 10 JEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1749629847 ISBSUJGNCPISRL-QRVBRYPASA-N 492.621 2.140 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cccc(C(OC)OC)c2)C1 1749713705 WXXVBPSKRASZQW-WOJBJXKFSA-N 476.599 2.301 30 10 JEEE C=CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC(=O)N(C)C[C@@H]1C 1749756181 UKGTZICPVREURQ-IRXDYDNUSA-N 480.635 2.173 30 10 JEEE N#Cc1ccc(OCc2nnc(N3CCC(OCC(N)=O)CC3)n2C[C@H]2CCCS2)cc1 1750383881 FXOUZUDMUGXQKO-LJQANCHMSA-N 456.572 2.095 30 10 JEEE Cc1cccc2c(CCn3c([C@H]4CN(S(C)(=O)=O)CCO4)nnc3N(C)[C@@H](C)CC#N)c[nH]c12 1751657332 DHGFQMDCSXCGTH-FXAWDEMLSA-N 485.614 2.382 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3OCC[C@H]3COC)n2C[C@](C)(O)C2CC2)c1 1760127934 RBNNAWPFHCXGCS-PZGSVQSZSA-N 467.570 2.219 30 10 JEEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1760129665 VEHXLGUHZQKFEN-UXHICEINSA-N 451.575 2.276 30 10 JEEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1760160245 BXIJNVUSTFDRNB-HXUWFJFHSA-N 450.591 2.361 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC1([S@](C)=O)CCC1 1760197494 YPBAGWZMCUUENC-YTTGMZPUSA-N 456.568 2.345 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H](C)N1CCC[C@H](C)C1 1760200406 GZMZFHRLWBWJNF-PMACEKPBSA-N 457.582 2.385 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2C[C@@H](C)COC)CC1 1760268844 QIBDAAUIMMVOJQ-LJQANCHMSA-N 461.570 2.379 30 10 JEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC(C)(C)O[C@@]2(C[C@@H]3CC[C@H]2C3)C1 1760274123 GJDDYSQVTPHKIY-QLDGJZPUSA-N 481.688 2.429 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ncc(Cl)n1C 1760321446 GPMYXQWVWAPABC-MPGHIAIKSA-N 469.011 2.185 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)NCc1ccco1 1760484768 KINDXAIMZYHFPP-GOSISDBHSA-N 487.557 2.421 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2cccn(CC)c2=O)C1 1760549306 BBUPBAFCUBWSPZ-SFHVURJKSA-N 468.583 2.281 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCC3(CC2)OC(=O)NC32CCC2)nnc1C(C)(C)C 1760558050 DUYGEPRULUNKOF-UHFFFAOYSA-N 451.593 2.178 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)c1ccc2c(c1)OCCO2 1760688147 BPZPTSBLRUNICR-CVEARBPZSA-N 476.603 2.233 30 10 JEEE Cc1cccc(C(=O)NCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@@](C)(C#N)C2)c1 1761891162 DYKUXUZEKDWDJG-CVDCTZTESA-N 470.599 2.049 30 10 JEEE CCN1CCN(C(=O)[C@H](CSCc2ccccc2)N=C2NS(=O)(=O)c3ccccc32)CC1 1869928077 OYZLVWSFBWNSMM-FQEVSTJZSA-N 472.636 2.191 30 10 JEEE COc1cc(C(=O)Nc2c(C#N)nnn2-c2ccc(N3CCN(C)CC3)cc2)cc(OC)c1OC 1870137528 PZXJWSLPJPAGQR-UHFFFAOYSA-N 477.525 2.169 30 10 JEEE C=CCn1c(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc2c(N3CCCCC3)ncnc21 1873595770 QVPVJBIHEHNVAX-UHFFFAOYSA-N 468.583 2.228 30 10 JEEE CC(C)N1C(=O)CS[C@H](C(=O)N2CCN(c3nccc(N(C)C)n3)CC2)[C@@H]1c1ccc(C#N)cc1 1889638174 NJOKGDKFQSZDBX-GOTSBHOMSA-N 493.637 2.157 30 10 JEEE CCN1CCN(CC#CCOC2CCN(C(=O)[C@H](C)Oc3ccc(C)cc3OC)CC2)CC1 1890335785 HMZLAKBTFQKBBE-QFIPXVFZSA-N 457.615 2.419 30 10 JEEE CC(C)(C)OC(=O)N[C@]1(C(=O)N2CCC(B3OC(C)(C)C(C)(C)O3)CC2)CCS(=O)(=O)C1 2231051657 CDUZFPBDDPAHBM-OAQYLSRUSA-N 472.413 2.153 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N=S1(=O)CCN(C(=O)OC(C)(C)C)CC1 2267600582 IVZYRPKPQJTLFZ-UHFFFAOYSA-N 467.397 2.183 30 10 JEEE CC(C)(C)OC(=O)NC/C=C/CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2267709252 YLKJEXNIWHWUHU-CMDGGOBGSA-N 470.372 2.484 30 10 JEEE C[C@@H](NC(=O)c1cc(=NC(=O)OC(C)(C)C)[nH][nH]1)c1nscc1B1OC(C)(C)C(C)(C)O1 2268631843 DCNDUSNSJKNTAY-LLVKDONJSA-N 463.369 2.425 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CC(=O)NCc2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2268668935 JHTGLEOBGHXSQG-ZBFHGGJFSA-N 466.409 2.281 30 10 JEEE Cn1ncc(C(=O)N[C@H]2C[C@H]3C[C@H]2C[C@H]3NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2281833151 XFAGOFYAQGKXJR-HDEZJCGLSA-N 460.384 2.141 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)[C@@H](C(F)(F)F)C1 2281927119 VXKJKCHBUFWTEM-CYBMUJFWSA-N 474.289 2.333 30 10 JEEE C[C@H](CNC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 2282029190 PAEFMLXXDPYXHL-JLCFBVMHSA-N 481.424 2.180 30 10 JEEE C[C@H]1C[C@H](NC(=O)C(F)(F)F)CCN1C(=O)c1nn(C)c(Cl)c1B1OC(C)(C)C(C)(C)O1 2282040536 KKUGZHSULZTJJH-WDEREUQCSA-N 478.708 2.044 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N=c1nc(CCNC(=O)OC(C)(C)C)[nH]s1 2282061496 LQAUOTXXJNSHCY-UHFFFAOYSA-N 495.436 2.344 30 10 JEEE Cc1nc(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)s1 2282524129 ANJKHYKLQLPKDO-SOUVJXGZSA-N 479.408 2.115 30 10 JEEE CCc1nc(C(=O)N[C@H]2COCC[C@H]2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2282527147 YYRCAMPPOHXZSB-KGLIPLIRSA-N 481.424 2.417 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@]2(F)C[C@@H](CNC(=O)OC(C)(C)C)C2)n1 2282541353 WTLZWXDHEFWHNO-XLOAEROZSA-N 466.363 2.092 30 10 JEEE Cn1cc(C(=O)NC[C@]23CC[C@@H]2CN(Cc2ccccc2)C3)nc1B1OC(C)(C)C(C)(C)O1 2282543691 LSTSIDFOILZUTE-CLOONOSVSA-N 450.392 2.361 30 10 JEEE Cn1cc(C(=O)N2CCC(F)(CNC(=O)OC(C)(C)C)CC2)nc1B1OC(C)(C)C(C)(C)O1 2282546612 MCWDVWXHPCMVMU-UHFFFAOYSA-N 466.363 2.188 30 10 JEEE Cn1cc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)[C@@H]3CCC[C@H]23)nc1B1OC(C)(C)C(C)(C)O1 2282551731 FUHFORBALHIQHR-BFYDXBDKSA-N 460.384 2.237 30 10 JEEE Cn1ncc(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C(F)F)c1B1OC(C)(C)C(C)(C)O1 2282561508 ZUWNHZQQLCWDKU-QZTJIDSGSA-N 460.334 2.215 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H](NC(=O)OC(C)(C)C)C(F)(F)F 2282588449 VKDUVJGBXRGFLF-ZDUSSCGKSA-N 476.305 2.388 30 10 JEEE CC[C@H]1CC[C@@H](NC(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)CN1C(=O)OC(C)(C)C 2282612355 SWFAXDVHCNIXKQ-CABCVRRESA-N 463.388 2.022 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)C[C@@]12CCOC2 2282624831 ZMFBFBSJWGYUMS-IQMFZBJNSA-N 462.352 2.477 30 10 JEEE Cc1cnc(C(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2282650960 SWKOSCNCTARRND-RUZDIDTESA-N 451.376 2.056 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@](F)(CNC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2282671120 PQCIZGGNIXZYIT-CAJLXGCNSA-N 464.347 2.149 30 10 JEEE Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1O 2282683856 JCTCGBDGEKQOKL-ROUUACIJSA-N 460.380 2.394 30 10 JEEE Cc1c(B2OC(C)(C)C(C)(C)O2)cccc1C(=O)N[C@]1(CO)CCN(C(=O)OC(C)(C)C)C1 2282688048 OLLCDIZLXFGOPV-XMMPIXPASA-N 460.380 2.396 30 10 JEEE COc1ccc(S(=O)(=O)NC2(C)CN(C(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2282882326 KAEAHOIOUFXGIW-UHFFFAOYSA-N 482.408 2.282 30 10 JEEE CC(C)(C)OC(=O)NC1CN(CC(=O)N2Cc3ccc(B4OC(C)(C)C(C)(C)O4)cc3C2)C1 2283953435 SSTVSNMCAJHYRD-UHFFFAOYSA-N 457.380 2.037 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCOC[C@@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2284023757 XQXKMHMOOWBSMO-GOEBONIOSA-N 465.331 2.388 30 10 JEEE CO[C@H]1[C@@H](C(=O)N2CCC(=CB3OC(C)(C)C(C)(C)O3)C2)N(C(=O)OC(C)(C)C)C[C@H]1OC 2284039968 LXYDZVHUJUUMBD-FGTMMUONSA-N 466.384 2.426 30 10 JEEE C[C@@H](NC(=O)CN(CCN(C)C)C(=O)OC(C)(C)C)c1nscc1B1OC(C)(C)C(C)(C)O1 2284067426 LVYUCQKFLVWMPO-OAHLLOKOSA-N 482.456 2.418 30 10 JEEE N#Cc1ccc(N2C[C@H](C(N)=O)[C@@H](C3CCN(C(=O)N4CCOCC4)CC3)C2)cc1C(F)(F)F 2297650969 WWCOCZKXPVLFPW-MOPGFXCFSA-N 479.503 2.279 30 10 JEEE Cc1scc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)c1B1OC(C)(C)C(C)(C)O1 2320440727 HWKJPMMSGOIIFZ-LSDHHAIUSA-N 452.382 2.066 30 10 JEEE COC(=O)CSc1nnc([C@H]2CC(=O)N(Cc3ccccc3)C2)n1N=Cc1ccc(O)cc1O 2325921383 SHKYCWVYOXYBAA-KRWDZBQOSA-N 481.534 2.353 30 10 JEEE COc1cc(Br)cc(C=Nn2c(SCC(N)=O)nnc2[C@H]2CCCO2)c1O 2330939137 KMETZDZGNZLZSP-LLVKDONJSA-N 456.322 2.066 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H](NC(=O)OC(C)(C)C)CC12CCC2 2362453643 WNNVKGBPETWBRM-OAHLLOKOSA-N 460.384 2.381 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H]2OCCN(C(=O)c3cnsc3B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2362499420 TVLAKQDPKHWNCI-HZPDHXFCSA-N 479.408 2.293 30 10 JEEE Cc1cc(C)nc(N/C(=N/C(=S)NC[C@H]2CCCO2)N2CCN(c3ccccn3)CC2)n1 14159822 AJHDMVSOYNIOSH-GOSISDBHSA-N 454.604 2.132 30 10 JEEE COCCNC(=O)C[C@H]1S/C(=N/N=Cc2ccc(OCc3ccccc3)c(OC)c2)NC1=O 245285834 YWMJPNUTUFPVCE-HXUWFJFHSA-N 470.551 2.348 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)[C@H](C)[S@](=O)CC(=O)OCCOCCCC)cc21 586313505 LOCBJZCWZSNVOB-AZYRPFHASA-N 451.541 2.278 30 10 JEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(OC)c2)c(=O)n1-c1ccccc1C 603798693 DKVMEEHYOSRQDE-UHFFFAOYSA-N 461.543 2.030 30 10 JEEE N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2cnn3ccccc23)c(=O)n1Cc1ccccc1 729668227 CDVALEPKNRKFKQ-UHFFFAOYSA-N 469.570 2.168 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)NS(=O)(=O)c3ccc(C#N)c(C(F)(F)F)c3)cc2C1=O 916180423 PQPHWNGQPUJSIV-UHFFFAOYSA-N 463.393 2.478 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@H](c3nnc(S)n3CC)C2)s1 1136710765 WQTVXZCUMFJUMU-ZDUSSCGKSA-N 455.631 2.061 30 10 JEEE CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CCN([C@H](C#N)C(C)C)CC1 1143456840 BVGHRWGUQFGZRI-VQTJNVASSA-N 452.646 2.087 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)NCc2ccccc2CN2CCC(O)CC2)C1 1223208100 HSAKFSHEHAUMQV-CTNGQTDRSA-N 457.575 2.202 30 10 JEEE C#CCCCn1c(COc2cccc(C)c2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1286356003 HXHPUYJGQPRQCP-OAQYLSRUSA-N 450.543 2.346 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1Cc1ccncc1Cl)[C@@H]1CCS(=O)(=O)C1 1286394285 IJXMLTAJWMZVKB-LJQANCHMSA-N 496.980 2.452 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCc2cc(F)cc(F)c2)CC1 1286488442 NQKHGRDKUACPRR-RUZDIDTESA-N 487.551 2.417 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2C[C@H]2CCN(CC(F)(F)F)C2)CC1 1286494384 NCCLKELFLKWRKB-KRWDZBQOSA-N 452.525 2.081 30 10 JEEE C=C(C)Cn1c(N2C[C@H](C)[C@@H](N3CCCN(C(C)=O)CC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1286598313 FPIVDUFBUQWJIT-UWDQQESISA-N 474.650 2.274 30 10 JEEE C=C(C)COCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC(CC(=O)NC)CC1 1286609058 GSPSQWQAFLSNJD-UHFFFAOYSA-N 451.575 2.462 30 10 JEEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H]2CCCC[C@H]2C1 1286609289 ZRCJLOHNGJNRMW-AABGKKOBSA-N 467.636 2.220 30 10 JEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(OCC(F)(F)F)nc2)CC1 1286637322 BLIQAQWWKVTOBE-AWEZNQCLSA-N 474.509 2.429 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCOc2ccc(Cl)cn2)CC1 1286664291 VWJUBGZYGURDIB-GOSISDBHSA-N 497.021 2.141 30 10 JEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(OCC)c1)C1CC1 1286737537 NDKOHEPTXFDLRR-HXUWFJFHSA-N 461.588 2.213 30 10 JEEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1286790766 WOBJDABHMXNONY-IBGZPJMESA-N 484.601 2.478 30 10 JEEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)C(C)(C)C)C[C@]2(CCOC2)O1 1291278748 BIMODLGAAHGQHP-CJAUYULYSA-N 482.585 2.275 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc(Br)cc2C(N)=O)s1 1293768110 SNWWTRVRJAMEFK-UHFFFAOYSA-N 458.359 2.255 30 10 JEEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(c2nc(C)no2)CC1 1297696040 DOLZLWKRRFKBOD-UHFFFAOYSA-N 455.544 2.327 30 10 JEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@H](C(=O)NCCC)C1 1300390860 BHCXZOBCUKNTBJ-FQEVSTJZSA-N 486.642 2.351 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@H](CC)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1300483780 NODIBBGJECZDLV-SFTDATJTSA-N 471.627 2.455 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc3ccccc3n2)n1C[C@H]1CCCN1S(C)(=O)=O 1300569246 IBYBIBCYIPHXER-HXUWFJFHSA-N 462.579 2.380 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2CCNC(=O)OC(C)(C)C)CC1 1300709699 BVEYQOWKNUWOHQ-UHFFFAOYSA-N 470.574 2.146 30 10 JEEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1300743763 ZULCYJSOODOTPN-JOCHJYFZSA-N 457.556 2.360 30 10 JEEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1300779541 XVCUQWBKTDBSJL-SXLOBPIMSA-N 460.604 2.163 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCn1c(C)nc2ccccc21 1300779666 CXMUYFIRYZWPCG-KSFYIVLOSA-N 455.588 2.239 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(C)CCCO1 1301363089 OHBDWDMVQQHTGV-NQIIRXRSSA-N 481.644 2.434 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 1301478031 GXYGKFBYZCSQSN-KRWDZBQOSA-N 480.598 2.172 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CC[C@H](S(C)(=O)=O)C1 1301481736 ONAGGBIWDWBUMQ-FQEVSTJZSA-N 482.610 2.278 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N(CCO)Cc1ccc(F)c(Br)c1 1301500199 KAZAZWWNIUZYEI-INIZCTEOSA-N 496.381 2.375 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)C[C@@H](C)C#N)n1CCc1ccn(-c2ccc(F)cc2)n1 1301952156 HRYADVDZWJAENR-HOTGVXAUSA-N 474.566 2.052 30 10 JEEE C[C@@H](CN1CCOCC1)Cn1c(-c2cccc(C#N)c2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1303753843 DVSWNPUIFBVDRJ-UGKGYDQZSA-N 486.642 2.189 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N(CCC#N)CC2CC2)n1C[C@@H]1N(C)CCCC1(C)C 1303818480 CEPKZQWYVYGMBL-WMZOPIPTSA-N 451.641 2.139 30 10 JEEE CCO[C@@]1(c2nnc(N3CCO[C@H](c4cccc(C#N)c4)C3)n2CC(C)(C)C(=O)NC)CCOC1 1314143736 AYBBKXLQXARVJV-CPJSRVTESA-N 482.585 2.152 30 10 JEEE N#Cc1ccc(-c2nnc(N3CCCN(CC(F)(F)F)CC3)n2C[C@@H]2CCS(=O)(=O)C2)cc1 1316529172 BLOJXLCPOLORML-KRWDZBQOSA-N 482.532 2.326 30 10 JEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@@H](C)c2nc(C(C)C)no2)CC1 1358913152 GZLLSZVMWYNSKR-OALUTQOASA-N 489.646 2.373 30 10 JEEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(CCOC)[C@@H](CC)C1 1358926999 JEDVUQGSMLJFJP-IBGZPJMESA-N 463.586 2.152 30 10 JEEE C#CCN(c1nnc(C2CCCC2)n1Cc1cccc(C(=O)N(C)C)c1)[C@H]1CCS(=O)(=O)C1 1358962832 YBCZNXDBMQCVRX-NRFANRHFSA-N 469.611 2.313 30 10 JEEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCC(=O)NC(C)(C)C 1358981786 XQNCNLOJRONAGK-UHFFFAOYSA-N 475.641 2.020 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@]1(N(C)C)CCSC1 1359023473 LOIRELGQYKUAAL-HSZRJFAPSA-N 467.599 2.117 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@H](COC)OC)CC1 1359032291 JFIZPAQNBSJRDD-MRXNPFEDSA-N 466.355 2.263 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2Cc2nccs2)CC1 1359041672 DZUFAMJRZWJVBJ-UHFFFAOYSA-N 466.567 2.433 30 10 JEEE C#CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](C(=O)OC)C1 1359058026 QOKOEDNIESKCGD-MSOLQXFVSA-N 493.630 2.342 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC[C@H](CNC(C)=O)C2)nnc1[C@@]1(OCC)CCOC1 1359104529 CJUPBPUUMJZNOO-IUBSTNSRSA-N 461.607 2.264 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1359118716 YCMSKJHBTOPAKY-UHFFFAOYSA-N 487.630 2.109 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[C@H](N2CCOCC2)C(F)(F)F)CC1 1359178369 PMEVAGOHXJOYQS-SJORKVTESA-N 456.513 2.285 30 10 JEEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(Oc2ncccc2F)CC1 1359208165 HARLEPDYSJWWGN-OAHLLOKOSA-N 452.556 2.436 30 10 JEEE C=CCCOCCn1c(-c2cc(Br)cn2C)nnc1N1CCN(C2CC2)C(=O)C1 1359222784 SEBDXWRFCMYHOE-UHFFFAOYSA-N 463.380 2.450 30 10 JEEE C=CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CC1(NC(=O)OC(C)(C)C)COC1)C1CC1 1359254155 HKINXWXUBRBAHF-WMZOPIPTSA-N 463.579 2.451 30 10 JEEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCCN(c2nc(C)ns2)CC1 1359284283 DKPPAYTXKKCUKF-UHFFFAOYSA-N 488.643 2.258 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2ccc(F)c(F)c2)C1 1359313829 RTYKMFLEBJZIJT-GOEBONIOSA-N 455.531 2.191 30 10 JEEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1359343291 PZOLQWQCBJFBGV-RBUKOAKNSA-N 462.664 2.271 30 10 JEEE CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCC[C@H](O)C2)CC1 1496305872 CZQDXHGKLDLMGA-WPYKKVEZSA-N 479.629 2.405 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccc(OC(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 1507634531 YVOFQMABSHHVKN-VQTJNVASSA-N 458.584 2.244 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@@H]1CCOC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1507635826 ZQQGEONWDRTDMD-YSIASYRMSA-N 460.575 2.307 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCSCC2)cc1 1507669780 RGMFQWLXTXCVQD-NRFANRHFSA-N 483.663 2.245 30 10 JEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CCCN1C[C@@H](C)C[C@@H](C)C1 1507712771 ORUHTRSHNKJMET-KDURUIRLSA-N 456.591 2.460 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CC=CCC2)n1 1507717475 UDYRASJSMVJGSE-WOJBJXKFSA-N 472.615 2.019 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC2(O)CCOCC2)CC1 1507735789 HETYTMCRQNQGSD-GOSISDBHSA-N 485.560 2.065 30 10 JEEE C#CCSCCn1c(CSc2ccccc2OC)nnc1N1CCN(C(=O)NC)CC1 1507758927 VSXSSQAUOWVTDZ-UHFFFAOYSA-N 460.629 2.407 30 10 JEEE C=C(Br)Cn1c(-c2cccc(C)n2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1507782053 QXQZJRLRQAUQPZ-UHFFFAOYSA-N 460.336 2.078 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1508136053 PAPNXAHQTRYKMO-YZZKKUAISA-N 476.599 2.327 30 10 JEEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCOCC2CCOCC2)CC1 1508257400 BJDKHJQXCZPUKP-UHFFFAOYSA-N 482.585 2.231 30 10 JEEE CNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1517433476 CMMMSAHUFLXHBD-OAQYLSRUSA-N 476.585 2.308 30 10 JEEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)CNC(=O)OC(C)(C)C)CC1=O 1519205311 CJNDCJZFCDREES-GOSISDBHSA-N 497.600 2.273 30 10 JEEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2([S@](C)=O)CCC2)C[C@H]1C 1519227351 FQKYAEZCMJUVEJ-CVCYQNGTSA-N 456.616 2.275 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2Cc2ncccc2C)c1 1539038023 KNKHGCOGVMBNHX-UHFFFAOYSA-N 457.538 2.322 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2C[C@@H](C)N2CCOCC2)c1 1539045962 JSMLZXWHTMQJFG-HXUWFJFHSA-N 473.581 2.041 30 10 JEEE C#CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CC#C)CC1 1539070942 HKUBMDKWJDDBIO-HXUWFJFHSA-N 456.591 2.145 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@](C)(O)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1539212593 VZVUAUBGQTZNGV-XXBNENTESA-N 459.616 2.242 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@]1(O)CCC[C@H]1C 1539304947 KARBSNKYHVLEDX-DVECYGJZSA-N 469.611 2.209 30 10 JEEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CCOCC(F)(F)C(F)F)CC1 1539454413 NFBKQXVPSCTZRD-UHFFFAOYSA-N 460.501 2.306 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2cc(F)cc(OC)c2)CC1 1539489345 UUBVWNAEYWRLRI-UHFFFAOYSA-N 479.560 2.302 30 10 JEEE C=CCCCCCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCCS1(=O)=O 1539945579 QTZPLERFTABNOD-ZWKOTPCHSA-N 458.650 2.330 30 10 JEEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1CCc2ccccc21 1540037106 BGPOOACKZSUBKX-SFTDATJTSA-N 475.615 2.327 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1540867013 HYRPBVPNXSGBPX-IBGZPJMESA-N 498.628 2.344 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(Cc2cc(C)ccc2OC)CC1 1540870534 PSROKNQHIXKFQL-QFIPXVFZSA-N 468.602 2.461 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1540900003 IMBGKWISMJGMQU-HSZRJFAPSA-N 486.598 2.040 30 10 JEEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1 1540909863 QVCUREGVBVZUET-YWZLYKJASA-N 469.608 2.045 30 10 JEEE CCC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1)OC 1546917545 APIVJJFZOBBMKZ-AZUAARDMSA-N 453.547 2.100 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cc(Br)cn3C)n2CCC(=O)NC)c1 1587689906 SJVRQILCFYBSPE-UHFFFAOYSA-N 498.385 2.238 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@](C)(O)c1ccsc1)[C@@H]1CCS(=O)(=O)C1 1588049125 AOEVPHDGSOVYNK-GCJKJVERSA-N 471.608 2.244 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2CCc2cccnc2)CC1 1588763199 SSKWZPABGSFFTF-UHFFFAOYSA-N 454.376 2.439 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCc2ccc(F)c(F)c2)CC1 1588891352 OGWUGHOUSOMRGZ-VWLOTQADSA-N 487.551 2.417 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCN(CC)CCC(F)(F)F)CC1 1588930316 SIZIWBZZFWCBQT-IBGZPJMESA-N 484.567 2.412 30 10 JEEE C=C(Br)Cn1c(-c2cnccn2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1589381459 CTSWXOBAJQJALC-NSHDSACASA-N 460.258 2.149 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCOC2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1589546853 RUKXHSDHHWCTDB-XPNTWCBSSA-N 474.650 2.144 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)OCC)CC1 1589568761 MGTDLXBDFWKRGA-CTNGQTDRSA-N 457.579 2.399 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 1595506795 MVRXZIIJXHLFEK-UHFFFAOYSA-N 494.987 2.056 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CCCOC 1595543840 AIIYFPAFXDAIMA-QGZVFWFLSA-N 450.584 2.168 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCCN(C2CCCC2)CC1 1595812532 XMLDSCNDDXFMFX-UHFFFAOYSA-N 458.632 2.319 30 10 JEEE CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCN(C)C(C)(C)C2)C[C@@H]1C 1615858505 BYXLHJNNHLYPSQ-FQEVSTJZSA-N 450.635 2.373 30 10 JEEE C#CCOc1ccc(C(=O)N2CCCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc1 1626080945 CWRJGHZDZHNBOA-UHFFFAOYSA-N 456.520 2.007 30 10 JEEE C#CCCN1CCN(C(=O)[C@@H](CCS(C)(=O)=O)Cc2cccc(Br)c2)CC1 1626212497 QBZDNZITAOGKAD-SFHVURJKSA-N 455.418 2.210 30 10 JEEE N#Cc1cc(F)ccc1N1CCN(C(=O)CCc2ccc(S(=O)(=O)NC3CC3)cc2)CC1 1635881604 BAXKJPYESJKKPR-UHFFFAOYSA-N 456.543 2.419 30 10 JEEE C#C[C@@H]1COCCN1C(=O)c1cc(S(=O)(=O)NCc2cccnc2)c(Cl)cc1Cl 1637715031 BKRVAHHRJKBVNV-CQSZACIVSA-N 454.335 2.341 30 10 JEEE C#CCN(C(=O)c1ccc2c(c1)[nH]c(=O)c(=O)n2CC)C1CCN(C(=O)OC(C)(C)C)CC1 1651973170 GNVHAMUNEWFSDH-UHFFFAOYSA-N 454.527 2.185 30 10 JEEE C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 1681285661 OJQXPVAZRVHFQZ-OLZOCXBDSA-N 464.407 2.260 30 10 JEEE C=C[C@@H]1OCC[C@H]1NC(=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2Cl)CC1 1682433150 NODGZTFMUVDJEA-CABCVRRESA-N 478.796 2.462 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCCN1CCN(CC)CC1 1689848048 NOHAWZMRQYELBN-FQEVSTJZSA-N 476.629 2.068 30 10 JEEE C#CCCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1689893327 XPQGSGJFFYFBAU-FXAWDEMLSA-N 459.572 2.112 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1CCCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1689991751 BWYXHVBKCGVKQN-QFIPXVFZSA-N 455.628 2.290 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCSCC(C)C)CC1 1690115205 WWJMHCDLZWPSEX-UHFFFAOYSA-N 490.699 2.340 30 10 JEEE C#CCN1CCN(c2nnc(CC(C)C)n2Cc2ccc(CN3CCC(O)CC3)cc2)CC1 1690126186 UXWNBLPZTJMPBL-UHFFFAOYSA-N 450.631 2.237 30 10 JEEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2Cc2nnc(CC)s2)CC1 1690131023 RIDLDKPSYKGKRA-UHFFFAOYSA-N 451.600 2.289 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCCN2CCCC[C@H]2C)CC1 1690146039 DLOHMVAYAMWKEE-IRLDBZIGSA-N 456.635 2.402 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2Cc2nccc(C(F)F)n2)CC1 1690150595 NMJANSKPBBIUSC-UHFFFAOYSA-N 486.552 2.376 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2cccc(O)c2)CC1 1690155721 MTGSFQYRNZGQFI-UHFFFAOYSA-N 463.567 2.324 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)C[C@@H](C)C1 1690244958 BCIPIHHGJOTFLJ-RMMWZPCPSA-N 467.636 2.075 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccnc2OCC(F)(F)F)C1 1690697576 XZNUARAPEOXQHG-HZPDHXFCSA-N 466.464 2.395 30 10 JEEE CC(=O)N(C)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1690778565 BVIFNSHUWDGUQE-NRFANRHFSA-N 479.585 2.091 30 10 JEEE CNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2CCN(CCN(C)C)CC2)CC1 1696955084 HAPAQJHCGGRCGH-UHFFFAOYSA-N 478.645 2.053 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1CC1(N2CCCC2)CCOCC1 1705586225 ZWDDRIXZWFXCFY-UHFFFAOYSA-N 458.566 2.447 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCO[C@@H]2CCCC[C@@H]2C)CC1 1705643472 HKVYBZUPAPHIHM-PZJWPPBQSA-N 470.618 2.075 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CC(F)(F)C2(OC)CCOCC2)CC1 1705649343 UGRBJRUSCXQRQQ-UHFFFAOYSA-N 476.528 2.070 30 10 JEEE C#CCSCCn1c(-c2cccnc2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1705658156 GNQGJROWVDNZLQ-SFHVURJKSA-N 450.572 2.104 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)CN1CCCC1 1705717429 KCKWLDWXFNAHCW-IBGZPJMESA-N 468.668 2.135 30 10 JEEE C=C(C)COCCn1c(-c2ccccc2OC)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1705732514 BQQGWLYELULPJC-UHFFFAOYSA-N 477.569 2.367 30 10 JEEE C=CCCOCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1705832645 DKWBXDYVUPXKME-OALUTQOASA-N 489.621 2.499 30 10 JEEE C=CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1(O)CCS(=O)(=O)CC1)C1CC1 1705856510 VRJZIEVZRKUJHE-QZTJIDSGSA-N 452.621 2.291 30 10 JEEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 1705906185 WGFGTFTYTIZIFA-GOSISDBHSA-N 455.559 2.384 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN2CCCC[C@@H]2C1 1705931576 UHPZTTKEYHIDGN-LJQANCHMSA-N 460.560 2.129 30 10 JEEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CCN2[C@@H](C)CC[C@@H]2C)CC1 1710873106 GULPSVQXUSMGLJ-SFTDATJTSA-N 499.685 2.246 30 10 JEEE C#CCCCCn1c([C@H]2COc3ccccc3O2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1722316495 IZHZPUIAVWKTMB-OAQYLSRUSA-N 473.599 2.454 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@@H](C)SC)[C@H]1CCS(=O)(=O)C1 1722370642 PPKXXVXOXRZRKZ-WBVHZDCISA-N 452.577 2.374 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](C1CC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1722371755 XZFUCTGMZRMVOQ-MXEMCNAFSA-N 477.675 2.164 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCN2CC=CCC2)CC1 1722436913 NEZHGXUAICJKIQ-JOCHJYFZSA-N 483.661 2.410 30 10 JEEE C=CCC(C)(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCS(=O)(=O)CC1 1722591020 KKDNPKDBYANYAN-UHFFFAOYSA-N 456.572 2.029 30 10 JEEE C=CC[C@@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CO)CC1)c1ccccc1 1722596020 BBCXCPWHFHCUDZ-FCHUYYIVSA-N 489.642 2.180 30 10 JEEE C=CCCOCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1722625746 WWBDAXAGZNZLIY-MOPGFXCFSA-N 451.579 2.432 30 10 JEEE C=CCN(CC=C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1(S(C)(=O)=O)CC1 1722672747 YCFBNIARWKYGJS-UHFFFAOYSA-N 457.604 2.208 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](C)CN(C)C(=O)OC(C)(C)C)C1 1722719042 PVSVTPGNCQGCFK-GBESFXJTSA-N 497.662 2.465 30 10 JEEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2nc3ccccc3o2)CC1 1722732364 KZWDDAXWRIWMMN-INIZCTEOSA-N 491.643 2.275 30 10 JEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1722738271 DZVUQDBKDNGAPJ-INIZCTEOSA-N 471.649 2.157 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)Cc1ccc(C)o1 1722749110 DABQHRUPPQBZSZ-UHFFFAOYSA-N 478.596 2.487 30 10 JEEE CC[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CC#N)Oc1cccc(F)c1 1727266570 HKZJJMBYSCXJOL-ILZDJORESA-N 494.593 2.346 30 10 JEEE CS(=O)(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCC=CO2)C1 1731013602 ARRLBBZHIPEQTQ-ICSRJNTNSA-N 456.572 2.275 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1CCN1CCCC(C)(C)C1)[C@@H]1CCS(=O)(=O)C1 1740621697 OCIQRMFNGZDLIG-LJQANCHMSA-N 456.616 2.089 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H]1CCCCN1CCCC)[C@H]1CCS(=O)(=O)C1 1740626538 LMMMWNVXHIKCPD-NJYVYQBISA-N 463.648 2.063 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2Cc2conc2COC)CC1 1740690970 RHYGEOFLYLNSKV-KRWDZBQOSA-N 454.506 2.495 30 10 JEEE C#CCN1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2C[C@H](OC)[C@@H](C)CC)CC1 1740696213 OIEIURNHGLCCJX-UNMCSNQZSA-N 466.634 2.268 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](C)Oc2ccccc2C)CC1 1740701162 WTZXKUSCZHSOPI-IBGZPJMESA-N 466.586 2.158 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](CC)NC(=O)OC(C)(C)C 1740730536 BJVBNVKLVUWWGX-DRSNIGMVSA-N 465.620 2.476 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1NC(=O)CC1(C)C 1740731409 AYGJZATYYYDQSW-YYULODDRSA-N 486.617 2.493 30 10 JEEE C=C(Br)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(CCOC)C(=O)C1 1740745701 BPTZZRUANGMKFA-UHFFFAOYSA-N 452.328 2.212 30 10 JEEE C=C(Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C)c1ccccc1 1740796535 BNQQFNZRXIKSLU-CTNGQTDRSA-N 468.602 2.497 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(F)(F)F 1740937299 DRVWHRFTETXIIU-HNNXBMFYSA-N 463.482 2.001 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1740965357 OEFPZPLSQXYEMI-QYZOEREBSA-N 473.622 2.325 30 10 JEEE C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CCN1CCSCC1 1741139124 AUMWLJWJKLOTNG-DLBZAZTESA-N 462.645 2.123 30 10 JEEE CC(C)NS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N2CCCCC2=O)CC1 1741710454 DVLWBWKCJOMAIA-UHFFFAOYSA-N 499.641 2.126 30 10 JEEE C#CCCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCO[C@@H](CNC(C)=O)C1 1748710732 ZKGGYANEAOWBDE-FQEVSTJZSA-N 491.596 2.210 30 10 JEEE C#CCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1748760703 CTUANNDYKSFCQS-UHFFFAOYSA-N 456.978 2.325 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1CC(=C)Br)[C@@H]1CCS(=O)(=O)C1 1748808472 CRRRKJHXKSTADU-MRXNPFEDSA-N 495.399 2.498 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H](C(C)C)N1CCOCC1 1748868028 QBCGRRUKNCGLBZ-RCZVLFRGSA-N 457.619 2.138 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@@H](C)N(C)C2CC2)CC1 1748979066 UOUHXKIJYKFCPT-GOSISDBHSA-N 468.602 2.209 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(CC)cc3)n2CCCCN2CCC[C@H]2CO)CC1 1748982754 CKHZEYVBQAIQJO-DEOSSOPVSA-N 450.631 2.500 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@]2(O)CCC[C@H]2C)CC1 1749003763 UZTXJDGONVTQKJ-WXTAPIANSA-N 481.597 2.479 30 10 JEEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1749037334 AXSXJRZBOSFUHJ-KRWDZBQOSA-N 488.608 2.303 30 10 JEEE C#CCSCCn1c(COc2cccc(C)c2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1749046567 BKCVFRPUJREFGF-DEOSSOPVSA-N 482.610 2.346 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccnc2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1749126712 GDNJDPDJJMYLHT-JTHBVZDNSA-N 467.618 2.312 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccccc2C)nnc1N1CCN(CC(=O)NCC)CC1 1749134334 XLIMOEATSPMYSQ-RCZVLFRGSA-N 466.630 2.417 30 10 JEEE C=CCN(c1nnc(-c2cc(Br)cn2C)n1CCNC(=O)c1cc[nH]n1)C1CC1 1749510579 LCGCLDAAKZQLTE-UHFFFAOYSA-N 459.352 2.354 30 10 JEEE 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 1749574484 WIGGHKGMOYYPLQ-YDZRNGNQSA-N 472.590 2.432 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1749659236 ZGNZNZZGVOJXFO-QFBILLFUSA-N 489.418 2.167 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Br)cc2)nnc1N1CCN(C2CC2)C(=O)C1 1749725789 ZUCYDERGRVPSLN-UHFFFAOYSA-N 494.415 2.119 30 10 JEEE C=CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1749747202 WAKSGUHHAVJQRC-UHFFFAOYSA-N 450.012 2.123 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1C[C@@H](c1ccc(C)cc1)N1CCOCC1 1760248873 FLIYPSDBUHMZIE-GOTSBHOMSA-N 453.587 2.250 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(Br)cc3)n2C[C@H]2CCOC2)CC1 1760260724 DDBUUZQWMIJYSZ-QGZVFWFLSA-N 460.376 2.411 30 10 JEEE C=C(Br)Cn1c(-c2cccc(C)n2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1760305873 UWGLZDRXFRMJMI-OAHLLOKOSA-N 460.336 2.030 30 10 JEEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CCC(OCCCOC)CC1 1760310621 KSSWCOVEKUSXLP-UHFFFAOYSA-N 456.385 2.331 30 10 JEEE C=C(C)COCCn1c(-c2ccccc2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1760353471 STRXVIXGQGBIPK-UHFFFAOYSA-N 472.571 2.178 30 10 JEEE C=C(Cl)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1760368751 MHTUDBYMQAZAIC-IBGZPJMESA-N 451.936 2.132 30 10 JEEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1760526047 BKPKNTFNTASQDR-UHFFFAOYSA-N 495.672 2.463 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](NC(C)=O)C1 1760532565 YQGFOQFCAGXWKK-HXUWFJFHSA-N 452.559 2.232 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCN(c2nc(CC)ns2)CC1 1760549019 VBBQPRBZSDWTJG-HNNXBMFYSA-N 453.638 2.133 30 10 JEEE C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCO[C@H](C#N)C2)n1CC1CCS(=O)(=O)CC1 1761522239 FYNDWLMSKLWHGT-HNAYVOBHSA-N 463.535 2.111 30 10 JEEE Nc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(S(N)(=O)=O)cc3)[C@@H]2c2ccc(O)c(O)c2)c1 1862556807 FRDAXCVSBHHUEX-OAQYLSRUSA-N 495.513 2.106 30 10 JEEE COc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCN2CCOCC2)cc1O 1862677466 FSELTKFIRGQOCV-NRFANRHFSA-N 456.470 2.450 30 10 JEEE O=C(C1=C(O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccccc1C(=O)O)c1cccc([N+](=O)[O-])c1 1862740939 XYYABQFEPLWNJX-HXUWFJFHSA-N 481.461 2.204 30 10 JEEE Cc1cc(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)Nc2ccc(C#N)cc2)cc(S(N)(=O)=O)c1 1867237480 LPUHAGPNWAUPQY-QFIPXVFZSA-N 478.530 2.200 30 10 JEEE CC(=O)Nc1cccc(-n2nnc(C#N)c2NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)c1 1870158725 LEUYHPZMHGVLLU-UHFFFAOYSA-N 450.371 2.475 30 10 JEEE C=CCN(CC=C)C(=O)c1cc2c(N3CCN(C(=O)OCC)CC3)ncnc2n1CCOC 1873560373 WNPZCWRRULOBRP-UHFFFAOYSA-N 456.547 2.170 30 10 JEEE C=CCn1c(C(=O)N2CCN(c3ccccn3)CC2)cc2c(NCCCN3CCCC3=O)ncnc21 1875226978 UYLYGOPWOXPMFO-UHFFFAOYSA-N 488.596 2.399 30 10 JEEE COc1ccc(-c2ccc(=O)n(CC(=O)NCC#CCN3CCc4ccccc4C3)n2)cc1OC 1891226664 IYUSMTOVRMQHNV-UHFFFAOYSA-N 472.545 2.105 30 10 JEEE COC1(C(=O)NCCc2cccc(B3OC(C)(C)C(C)(C)O3)c2)CN(C(=O)OC(C)(C)C)C1 2180981068 PTRMBRUHUIDPAL-UHFFFAOYSA-N 460.380 2.280 30 10 JEEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2255802960 HVGHRLFYCINFHC-CHWSQXEVSA-N 475.442 2.163 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1CC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2256627403 AGUQAGOHFWOELT-CHWSQXEVSA-N 452.386 2.281 30 10 JEEE CN(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1sccc1B1OC(C)(C)C(C)(C)O1 2256679195 JSMWCWLCBVVEFR-OAHLLOKOSA-N 453.414 2.118 30 10 JEEE CC(C)(C)OC(=O)N1CCC(NS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CC1 2267705569 ZCXNTZHXJYQIPZ-UHFFFAOYSA-N 467.397 2.059 30 10 JEEE CC(C)(C)OC(=O)N(CCO)CC(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1F 2268632431 KDAVPZRFGJYOSN-UHFFFAOYSA-N 456.295 2.432 30 10 JEEE Cc1c(C(=O)NC[C@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281988554 OCCVQAWPUWIZBY-HOTGVXAUSA-N 462.400 2.451 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(CCNC(=O)OC(C)(C)C)CC(F)(F)F)n1 2282032325 DWXWWUXALUVSLR-UHFFFAOYSA-N 476.305 2.249 30 10 JEEE Cc1c(C(=O)NCC2=CCN(C(=O)OC(C)(C)C)CC2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282064354 YQOBGOJODYQVCO-UHFFFAOYSA-N 460.384 2.325 30 10 JEEE CC1(C)OB(c2cccnc2C(=O)NCC[C@@H]2CN(Cc3ccccc3)CCO2)OC1(C)C 2282185438 HENCZMIWQRZNKF-HXUWFJFHSA-N 451.376 2.402 30 10 JEEE CN(C[C@H]1CCCN1C(=O)OC(C)(C)C)S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282354557 RXWZAQLXSCHNDH-QGZVFWFLSA-N 481.424 2.401 30 10 JEEE C[C@H]1C[C@@H](N(C)S(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CN1Cc1ccccc1 2282492222 NZCKUVZSEMGTPV-PKOBYXMFSA-N 474.436 2.003 30 10 JEEE CC(C)(C)OC(=O)N1CC2(CC[C@H](CNC(=O)c3coc(B4OC(C)(C)C(C)(C)O4)c3)O2)C1 2282535001 YUNIQBXDHPJAGC-MRXNPFEDSA-N 462.352 2.477 30 10 JEEE Cc1c(C(=O)N(C)[C@H](C)C2CN(C(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282568781 ICTJLWKMDFSCQC-OAHLLOKOSA-N 462.400 2.355 30 10 JEEE Cn1nc(C(=O)NC[C@]23CC[C@H]2CN(Cc2ccccc2)C3)cc1B1OC(C)(C)C(C)(C)O1 2282612972 XMMKIJYMTGXPQR-DFBJGRDBSA-N 450.392 2.361 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCCO[C@H]2[C@H]1NC(=O)c1ccoc1B1OC(C)(C)C(C)(C)O1 2282631790 BHNASVJHLXVQRW-PQEBFOHHSA-N 462.352 2.379 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@H]2C[C@H]1CN(C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)C2 2282701519 YBWVQKKUQAYAKA-VYDXJSESSA-N 458.368 2.151 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@@H]2[C@@H](NS(=O)(=O)c3cncc(B4OC(C)(C)C(C)(C)O4)c3)[C@@H]21 2282830209 QKFLCXUJMFSUPA-KZNAEPCWSA-N 479.408 2.057 30 10 JEEE C[C@H]1CN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C[C@@H](C)CN1C(=O)OC(C)(C)C 2283061793 NCYMQFBLVKZTPW-CVEARBPZSA-N 460.384 2.493 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@@]2(NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2283071657 HNCFDUSJQXHZOP-NPMXOYFQSA-N 458.368 2.295 30 10 JEEE Cn1cc(C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)c(CNC(=O)OC(C)(C)C)n1 2283972031 LFCLGQJZVWJVBS-UHFFFAOYSA-N 457.340 2.391 30 10 JEEE CN(Cc1ccccc1B1OC(C)(C)C(C)(C)O1)C(=O)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 2284047100 GJIROIRAFOAZHC-DEOSSOPVSA-N 460.380 2.316 30 10 JEEE CN(Cc1ccccc1)C[C@@H](NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1)C(=O)O 2284423098 MCDLFXCSNXHMHH-HXUWFJFHSA-N 456.323 2.440 30 10 JEEE CC(C)(C)OC(=O)NCC[C@H](O)C(=O)Nc1cc(F)c(B2OC(C)(C)C(C)(C)O2)c(F)c1 2341176619 IOFHZYJSDNTCFX-HNNXBMFYSA-N 456.295 2.478 30 10 JEEE CN(C(=O)OC(C)(C)C)[C@@H]1CN(C(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)CC1(C)C 2361508124 IZESRCBDUNJBQK-MRXNPFEDSA-N 462.400 2.437 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@]12CCC[C@H]1N(C(=O)OC(C)(C)C)CC2 2362344496 SDQVDWPMHZFWQK-IQMFZBJNSA-N 460.384 2.381 30 10 JEEE COc1nc(N(C)C[C@@]2(O)CCN(Cc3ccccc3)C2)ccc1B1OC(C)(C)C(C)(C)O1 2365351559 ZQZOIMSEFHUSKP-VWLOTQADSA-N 453.392 2.463 30 10 JEEE Cc1cc(CNC(=O)C2(CNC(=O)OC(C)(C)C)COC2)cc(B2OC(C)(C)C(C)(C)O2)c1 2369679094 CPPQREPOHLZORP-UHFFFAOYSA-N 460.380 2.452 30 10 JEEE C[C@@H](NC(=O)CSc1nnc(N/N=C/c2cc([N+](=O)[O-])ccc2O)n1N)c1ccccc1 20527418 FCJJKJSQFWJVAP-FZTAQKCPSA-N 456.488 2.021 30 10 JEEE CCOc1ccc(/C=N/Nc2nnc(SCC(=O)NCc3ccc(OC)cc3)n2N)cc1 20527988 XJMSKBVVNLQVDE-ZMOGYAJESA-N 455.544 2.254 30 10 JEEE COc1cc(/C=N/Nc2nnc(SCCC(=O)Nc3ccccn3)[nH]2)cc([N+](=O)[O-])c1O 21084282 QAQDMPVWWOJBMV-KEBDBYFISA-N 458.460 2.389 30 10 JEEE COc1cc(NC(=O)C[C@H]2N=C(N/C(N)=N/c3cccc(C)c3)N=C2O)cc(OC)c1OC 40376199 LCSOKMGVMCWUEC-OAHLLOKOSA-N 454.487 2.280 30 10 JEEE C=CCN1C(=O)[C@]2(/C(=C(/O)c3ccc(C)o3)C(=O)C(=O)N2CCCN2CCOCC2)c2ccccc21 102549434 NPEDVTZSUWKHFI-MCQUKTMOSA-N 491.544 2.419 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)[C@H](C)[S@](=O)[C@H](CC)C(=O)OCCOCC)cc21 586355330 FSNVWZILQCJCEB-XYIGVYLGSA-N 451.541 2.276 30 10 JEEE Cc1c(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)nnn1-c1cccc2ncccc12 609425416 WRORURABCFYTET-UHFFFAOYSA-N 487.545 2.142 30 10 JEEE CC1(C)OB(c2ccc(NS(=O)(=O)CCN3C(=O)c4ccccc4C3=O)cc2)OC1(C)C 704368081 NTRFSYUQBGGDNV-UHFFFAOYSA-N 456.329 2.024 30 10 JEEE CC#CC[C@@H](CO)NC(=O)c1cc(I)cc(I)c1O 717702364 JFVGWJFPLSGTLA-VIFPVBQESA-N 485.059 2.106 30 10 JEEE CCn1c(C)cc(C=c2sc(=C(C#N)C(=O)NCCCOC)n(Cc3ccccc3)c2=O)c1C 728556916 ABQDQSOANXRCEP-UHFFFAOYSA-N 478.618 2.052 30 10 JEEE CC#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@@H](O)CC(=O)O 757203417 YETVNDVPHTUGTR-AOMKIAJQSA-N 450.491 2.259 30 10 JEEE COc1cc(C=NNc2nc(SCC(=O)Nc3ccc4c(c3)OCO4)n[nH]2)c([N+](=O)[O-])cc1O 1083937402 PYHCJVGNYDNWFF-UHFFFAOYSA-N 487.454 2.333 30 10 JEEE C=CCOC[C@H](NC(=O)c1cccc(NS(=O)(=O)c2ccc(F)c(F)c2)c1)C(=O)OC 1155780004 WSASLLIXMMOCIC-SFHVURJKSA-N 454.451 2.240 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2CCNC(=O)c2ccco2)c1 1286310723 YGXDRJPGXPSWCO-UHFFFAOYSA-N 469.505 2.419 30 10 JEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(=O)c2ccc(Cl)cc2)CC1 1286341537 GSKBIHWYSIWOBJ-QGZVFWFLSA-N 493.033 2.308 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1CCCS1)[C@@H]1CCS(=O)(=O)C1 1286389246 ZUKYBUIUCDGVOE-MSOLQXFVSA-N 476.624 2.485 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2CCc2nnc(C)s2)CC1 1286493122 DYWWRGYAHVQFBN-UHFFFAOYSA-N 455.613 2.299 30 10 JEEE C#CCSCCn1c(-c2ccccc2OC)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1286504766 TYLPAROIRWGATD-UHFFFAOYSA-N 468.627 2.065 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](CN2CCCCC2)C1 1286540789 DNSAZHYOCCVQKQ-DLBZAZTESA-N 472.453 2.401 30 10 JEEE C=C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCCN2CCOCC2)CC1 1286640700 OIOCNNJGOPEMHV-UHFFFAOYSA-N 474.631 2.074 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCN(C)C2CCCCC2)CC1 1286663914 RJLDVKBDDIALTQ-OAQYLSRUSA-N 480.679 2.278 30 10 JEEE C=CCCCn1c(COc2ccccc2OC)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1286706972 XDQFJSDQBZGBMB-UHFFFAOYSA-N 451.531 2.419 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(C(=O)c2ccc(O)cc2)CC1 1286788518 XYLNBYLREZUSER-LJQANCHMSA-N 453.543 2.279 30 10 JEEE C=CCS(=O)(=O)CCn1c(CSc2ccccc2OC)nnc1N1CCOC[C@@H]1C 1286823773 QVYUNUFOYFPYJY-INIZCTEOSA-N 452.602 2.405 30 10 JEEE CC(C)Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCC(=O)NC(C)(C)C 1287474476 AIMGOHNOTOOMJX-QGZVFWFLSA-N 453.595 2.158 30 10 JEEE CC(C)N(C)CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2C#N)CC1 1287901404 AEGOIWRWOMZMLS-NRFANRHFSA-N 485.658 2.109 30 10 JEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 1300364690 LUHAHFCTYBHFHP-QZTJIDSGSA-N 465.620 2.429 30 10 JEEE C#CCCCn1c(COc2cccc(C)c2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1300421837 SPWPJEHKKRHYML-UHFFFAOYSA-N 452.559 2.153 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2Cl)n1CCC(=O)NC)[C@@H]1CCS(=O)(=O)C1 1300488168 BGRHTUIZNGFNHX-CQSZACIVSA-N 470.382 2.015 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1cscc1C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1300492570 NNQPIJFLPGRGJB-OAHLLOKOSA-N 484.529 2.434 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CCc1ccc(F)c(F)c1)[C@H]1CCS(=O)(=O)C1 1300499127 PSUGGBWJXNYENI-IBGZPJMESA-N 471.533 2.412 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@](C)(O)c1ccco1 1300642656 LVQZXKWOQPUMFK-ZHRRBRCNSA-N 475.546 2.168 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1300875303 OQHKOMIJDGHTDF-NEWSRXKRSA-N 467.636 2.191 30 10 JEEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2csc(CC)n2)CC1 1301223349 SILOUEMGXYGLJQ-KRWDZBQOSA-N 464.661 2.488 30 10 JEEE C=CCn1c(CN2CCCC2=O)nnc1N(CCO)Cc1cc(Br)ccc1F 1301467115 IOGRNHQSVYAAMB-UHFFFAOYSA-N 452.328 2.487 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1301577472 OSEHALRFXKOSHY-QFIPXVFZSA-N 459.572 2.139 30 10 JEEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCN(C2CC2)C1 1303781859 BMARXBKEDFTFNY-HKUYNNGSSA-N 472.615 2.082 30 10 JEEE CC(F)(F)c1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@](F)(C#N)C2)cc1 1303782036 BVXTWVVQJNUAEN-UTKZUKDTSA-N 498.531 2.213 30 10 JEEE COCCn1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C(C)C)CC2)cn1 1316114194 CBDIBXVEHMNQDD-UHFFFAOYSA-N 464.574 2.150 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cc(OC)c(OC)c(OC)c1 1358870238 IPUFBGCHPZGEHE-HNNXBMFYSA-N 450.499 2.457 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2CCN2CCN(C)C(C)(C)C2)c1 1358901499 NAIQRXDHLNCDGK-UHFFFAOYSA-N 474.613 2.355 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2C[C@@]2(OC)CCOC2)c1 1358902727 XJQXOGPZWNRMRD-CYFREDJKSA-N 453.543 2.034 30 10 JEEE C#CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CC(=O)N1CCOCC1 1358929216 VBEUUIPPSDQDOB-IBGZPJMESA-N 474.606 2.101 30 10 JEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C2CC2)C1 1358929581 CYCOIMGTIPANJP-CEXWTWQISA-N 477.631 2.333 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H](C(C)C)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1358965688 ZGGPLGLZZQORFZ-VXKWHMMOSA-N 470.643 2.011 30 10 JEEE C#CCN(c1nnc(COCC)n1Cc1cc(C)ccc1OC(F)F)[C@@H]1CCS(=O)(=O)C1 1358968075 YTHSLIIHAKWABU-QGZVFWFLSA-N 468.526 2.399 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(CS(C)(=O)=O)CC1 1358977811 WZIKPHZMWSSIJJ-LJQANCHMSA-N 489.642 2.290 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1C[C@H](c1cccs1)N1CCOCC1 1358984047 GGMQCLLYIUMUON-HXUWFJFHSA-N 466.611 2.112 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCNC(=O)c1cccs1 1359003793 XSOFMIFHTJTBCW-UHFFFAOYSA-N 457.581 2.300 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H]2CCC[C@H](O)C2)CC1 1359042654 ORJIMBJLLBYSKL-RXVVDRJESA-N 481.597 2.479 30 10 JEEE C=C(Cl)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1359148830 DSWDLIHOZZDKEZ-OAHLLOKOSA-N 476.990 2.441 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](OC)c2ccc(F)cc2)CC1 1359165281 LYPHWXKDGKJSBS-UXHICEINSA-N 479.578 2.294 30 10 JEEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(c2nccc(OCC)n2)CC1 1359203629 SCTCOEFISMRAGI-IBGZPJMESA-N 489.646 2.442 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCOC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1359256401 DYTNBTTYBOXGCX-RTWAWAEBSA-N 470.599 2.128 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@H](OCCC)CC1 1359298899 OVPJZCJMTWHKEB-SFHVURJKSA-N 479.585 2.280 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@@H](C(=O)OC)C1 1359335149 CACJKXZQSWOYAF-OAHLLOKOSA-N 468.963 2.111 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCC(CC#N)CC2)n1CCS(=O)(=O)Cc1ccccc1 1360203483 GWFZOBLFEYNADG-UHFFFAOYSA-N 458.588 2.161 30 10 JEEE CC(C)Cc1nnc(NC(=O)CCC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)s1 1466736101 GEKDZWZQIZTCJZ-UONOGXRCSA-N 450.565 2.331 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CC(=O)N(C)Cc1ccccc1 1496839963 GBAXIJMHDMKSRC-QHCPKHFHSA-N 455.538 2.297 30 10 JEEE CCN1CCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1502284780 IDFKFVGHEMTYCT-NRFANRHFSA-N 471.631 2.161 30 10 JEEE COCC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@](C)(O)c2ccco2)CC1 1504539022 FNAKQGFNSNRPCS-DEOSSOPVSA-N 464.526 2.049 30 10 JEEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCCN(C(=O)c2cccc(F)c2)CC1 1507572148 ZVCMDRUAGXZSLF-UHFFFAOYSA-N 452.534 2.419 30 10 JEEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1507583055 MXECKTCFAJWHRQ-UHFFFAOYSA-N 471.631 2.346 30 10 JEEE C#CCN(c1nnc(C2CCCC2)n1CC(F)(F)C1(OC)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1507631899 GZQWWMDGGRIUMD-GOSISDBHSA-N 486.585 2.393 30 10 JEEE C#CCN(c1nnc(COCC)n1Cc1ccnc(OC2CCCC2)c1)[C@@H]1CCS(=O)(=O)C1 1507636761 DBDFXAOXMJATBS-LJQANCHMSA-N 473.599 2.206 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1CC1([S@@](C)=O)CCC1)[C@@H]1CCS(=O)(=O)C1 1507641213 ZQRQBUXMLBZUKQ-AYLZSAKASA-N 490.651 2.093 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCO[C@H]1c1ccccc1 1507711364 UMAYHIQEOBSRCA-BDTNDASRSA-N 472.611 2.434 30 10 JEEE C#CCSCCn1c(CC2CCCC2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1507754960 HQMFVWZFNPLRCB-UHFFFAOYSA-N 471.631 2.434 30 10 JEEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H](CN2CCOCC2)C1 1507941098 BKVYDYVQMDARJC-HXUWFJFHSA-N 488.658 2.320 30 10 JEEE C=CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1508042417 ITPHFESBAUSUGR-UHFFFAOYSA-N 453.591 2.324 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCN2CCCS2(=O)=O)C1 1508130780 IQMMMVGIMBETIV-FQEVSTJZSA-N 475.615 2.291 30 10 JEEE CC(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2CCN(C(C)=O)CC2)C1 1508346547 GWWQBWFAORAUHW-JOCHJYFZSA-N 463.586 2.428 30 10 JEEE CC[C@H](C)NC(=O)c1cccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)[C@H](C)CC#N)c1 1513166423 ARUDRLVODGQRQX-QKLQHJQFSA-N 472.615 2.495 30 10 JEEE N#Cc1ccc(OCc2nnc(N3CCC[C@H](C(N)=O)C3)n2CCC(=O)N2CCCCCC2)cc1 1521101612 FHOALVYTUBYNDE-FQEVSTJZSA-N 479.585 2.223 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CC(=C)Br)c1 1539037033 ABRORKUWPHRUTF-UHFFFAOYSA-N 471.359 2.479 30 10 JEEE C#CCCCn1c([C@H]2CCCOC2)nnc1N1C[C@@H](C(=O)OC)[C@H](CNC(=O)OC(C)(C)C)C1 1539119924 PAWLMBSHNCDPBV-IPMKNSEASA-N 475.590 2.336 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCN1CCCC[C@H]1CC)[C@H]1CCS(=O)(=O)C1 1539222853 XLALKVRXEMXWMS-NJYVYQBISA-N 463.648 2.063 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1ccnc(C(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 1539224852 JAXCLBCMYVICEU-SFHVURJKSA-N 490.511 2.353 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3OCC)n2Cc2ncnn2C(C)(C)C)CC1 1539461745 KHCRKZIWGQZYHJ-UHFFFAOYSA-N 478.601 2.406 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCCOC)CC1 1539488650 CQQLSJYZQPQQFH-IBGZPJMESA-N 474.606 2.352 30 10 JEEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1540019595 KFZBWEDBBBHVDQ-MBSDFSHPSA-N 456.547 2.292 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1540899449 PCSRNLPYEVRTAF-KRWDZBQOSA-N 471.543 2.182 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 1540902674 OFFVDPZRZSTRCZ-BEFAXECRSA-N 480.553 2.303 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N(C)Cc1ccc(N2CCOCC2)cc1 1540907773 IAFBZKFWKNJRGX-OAQYLSRUSA-N 475.615 2.203 30 10 JEEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3ncn(CC(=O)NCc4ccccc4)n3)n[nH]2)c1C 1542644519 IJSUUTDSGJGZLG-UHFFFAOYSA-N 459.514 2.236 30 10 JEEE CCO[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC(F)(F)F)C1 1548056481 BTGCPTIUJLBVLB-QGZVFWFLSA-N 466.464 2.413 30 10 JEEE CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 1554489161 DZMKGPPEMSYBNU-UHFFFAOYSA-N 483.573 2.358 30 10 JEEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(c2ccccc2)C(=O)C1 1587545806 CWMZGVMTMQIDCA-LJQANCHMSA-N 454.552 2.015 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(CSc2ccccc2OC)n1CCS(=O)(=O)N1CCSCC1 1587677334 GASXJVGJIROFJK-QGZVFWFLSA-N 495.696 2.416 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@@](C)(O)c1ccco1)[C@H]1CCS(=O)(=O)C1 1588039993 HFEFAZNBIGIVCE-HRAATJIYSA-N 475.958 2.121 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1Cc1nccn1C(F)F)[C@@H]1CCS(=O)(=O)C1 1588044717 BGVSNFCNQKZRRS-OAHLLOKOSA-N 476.509 2.220 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCOc1cc(C)cc(C)c1)[C@@H]1CCS(=O)(=O)C1 1588053789 ICQCLAGOATYVPJ-NHCUHLMSSA-N 472.611 2.495 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H](c1cccc(F)c1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1588064149 BPSHMCFMMZISRD-PKTZIBPZSA-N 496.612 2.333 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1cc(COC(C)(C)C)on1)[C@H]1CCS(=O)(=O)C1 1588075176 ZTVQNRUBBDXJSP-PKOBYXMFSA-N 477.587 2.108 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1cc(Br)ccc1F 1588138513 DYDLQVPBQNDELH-MRXNPFEDSA-N 479.375 2.397 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@H]1CC[C@H](CO)O1 1588310308 YRWMLZHGHUORSR-ZWKOTPCHSA-N 450.543 2.235 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H](N1CCOCC1)C(F)(F)F 1588612936 NBFLXTKCSBMRKZ-LJQANCHMSA-N 481.475 2.023 30 10 JEEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 1589060594 UMWWKOGDNHTBCC-AEFFLSMTSA-N 463.629 2.383 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C2CCCCC2)C(=O)C1 1589482070 FTMWBIOVHBEPQP-NQIIRXRSSA-N 458.607 2.379 30 10 JEEE C=C(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(=O)NCc2ccccc2)CC1 1593666734 SKXVQMPBZHAJCI-UHFFFAOYSA-N 462.602 2.154 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2csc(CC)n2)CC1 1593746642 KHYHWEYAYSFQKS-GOSISDBHSA-N 494.687 2.114 30 10 JEEE C=CCN(c1nnc(-c2cccc(OC)c2)n1CCS(=O)(=O)N1CCSCC1)C1CC1 1595033578 LPFBURLAMTXMOD-UHFFFAOYSA-N 463.629 2.487 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCN(C2CCCCC2)CC1 1595812658 YKCSWKKJXYUBER-UHFFFAOYSA-N 458.632 2.319 30 10 JEEE CC(=O)N1CCN([C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCN(C)C(C)C)C[C@H]2C)CC1 1596267808 MSCCXASFOZFOEN-YKSBVNFPSA-N 478.645 2.146 30 10 JEEE N#Cc1ccc(C(=O)N[C@@H]2CO[C@@H](CN3CCN(c4cccc(C(F)(F)F)c4)CC3)[C@H]2O)cc1 1615261366 ZQQRBHFWFHLSBR-FSSWDIPSSA-N 474.483 2.257 30 10 JEEE C#CCN(CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1)[C@@H]1CCc2ccccc21 1615265440 RJUKFBXAOPLGIV-XMMPIXPASA-N 451.592 2.283 30 10 JEEE C#CCN1CCCN(C(=O)c2ccc(OC)c(S(=O)(=O)N(C)Cc3ccccc3)c2)CC1 1629537005 NAPNYWQNBYIHJG-UHFFFAOYSA-N 455.580 2.297 30 10 JEEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CCCc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1689982958 XTWGNNQDQNEEAP-ZJSXRUAMSA-N 490.601 2.329 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCOC(F)F 1690019138 BNCWQHYZUTXUFY-INIZCTEOSA-N 453.490 2.289 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C 1690029407 ACWXWCWOUQLIBD-LJQANCHMSA-N 456.591 2.480 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(Br)s2)n1CCC(=O)N1CCOCC1 1690036765 AJODUAIRHQHRLX-UHFFFAOYSA-N 476.400 2.481 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCC(F)(F)F)nc1 1690047267 MUZQMGSNQCWTMW-KRWDZBQOSA-N 481.500 2.028 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)N2CCCC2)n1Cc1cnn(CCOC)c1 1690087076 JBHYXNHIOPYPQX-UHFFFAOYSA-N 465.533 2.184 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccccc3Br)n2CCCN(C)CCOC)CC1 1690119859 VLNOIYDQWZAMED-UHFFFAOYSA-N 475.435 2.431 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H]2CCCN(C(C)C)C2)CC1 1690137657 GDOUKLOJSWPRIP-QFQXNSOFSA-N 486.661 2.016 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC(C)(C)O)CC1 1690146432 NMGOGXKPJWQJGM-UHFFFAOYSA-N 488.633 2.129 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(N2CCCC2=O)c1 1690189961 HMJJFKDBDASTJG-UZUQRXQVSA-N 470.599 2.056 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOCc1ccc(OC)cc1 1690206454 RNSCMIMDGSDJEG-AUSIDOKSSA-N 458.584 2.398 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccnc(SCC)c1 1690206647 WNEALIRUHXXMLM-PGRDOPGGSA-N 490.655 2.158 30 10 JEEE C=C(Br)Cn1c(N2CCOC3(CCOCC3)C2)nnc1[C@@]1(OCC)CCOC1 1690234444 DQQQZDRPUJFEGK-LJQANCHMSA-N 457.369 2.225 30 10 JEEE C=CCN(Cc1cccs1)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(C(N)=O)nc1 1690572311 YQBJKAVSJHFNMT-UHFFFAOYSA-N 451.556 2.310 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1690665864 RTTPIPDMHDLZCJ-HNNXBMFYSA-N 452.481 2.329 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(C(=O)c2c(F)cccc2Cl)CC1 1690667887 LJRNELMWGLCLDR-UHFFFAOYSA-N 485.951 2.341 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Br)cc3)n2CCNS(C)(=O)=O)C1 1690690363 XDLNPYNUYTUTLH-MRXNPFEDSA-N 470.393 2.038 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H]1CCc2ccccc21 1691003016 AQMWAOGWTCRKOQ-QFUCXCTJSA-N 472.615 2.327 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1CCOc1ncccc1F 1692764447 IDPXLALZLMVQET-HNNXBMFYSA-N 473.534 2.009 30 10 JEEE CCOc1ccc(O[C@H](C)c2nnc(N3CCO[C@@H](C#N)C3)n2CCc2n[nH]c(C)n2)cc1 1696137327 BLCPZAGUURWXLH-BEFAXECRSA-N 452.519 2.215 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2CCNC(=O)c2cccs2)c1 1705507317 YCODSKNMHXBCNR-SFHVURJKSA-N 478.578 2.330 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1705561619 VDRQHBJFNVJZFR-OKZBNKHCSA-N 462.547 2.220 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1ncn(-c2ccccc2)n1)[C@H]1CCS(=O)(=O)C1 1705570888 SMXKJBJBBQYKJY-IBGZPJMESA-N 467.599 2.122 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H]1CC(F)(F)CO1 1705581149 YAUPGBVPHZEILB-INIZCTEOSA-N 452.465 2.172 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCN1CCCC1 1705628420 GKKDBFGSQWJKCA-FQEVSTJZSA-N 476.622 2.158 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CC2(O)CCOCC2)CC1 1705636421 JNQGBIZTBOSZIH-UHFFFAOYSA-N 469.586 2.038 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCC[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 1705638529 NKTGTODYNCPTCL-UXHICEINSA-N 485.633 2.164 30 10 JEEE C=C(C)Cn1c(COc2ccccc2CC)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1705727491 IIZPMUDMBKKRNR-UHFFFAOYSA-N 466.586 2.267 30 10 JEEE C=C(C)COCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1705736709 AJXFFAHVHZDHCU-GHTZIAJQSA-N 491.614 2.149 30 10 JEEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(NC(=O)OC(C)(C)C)COC1 1705836649 AJTQENWPQXEYIT-UHFFFAOYSA-N 477.587 2.265 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC2(N(C)C)CCOCC2)C1 1705917952 ZSVXTDWARDRUOE-HYBUGGRVSA-N 463.623 2.211 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCC(NC(=O)c2cc(C)oc2C)CC1 1705937191 LUCOJACQVYBOBQ-UHFFFAOYSA-N 475.615 2.440 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1705938001 KOJKZWMPPBJSFP-CVDCTZTESA-N 476.599 2.151 30 10 JEEE CC(=O)NC[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCOC(C)(C)C2)C1 1706036158 ABPZMGYRMWCEAI-NRFANRHFSA-N 465.602 2.280 30 10 JEEE CO[C@@]1(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CC(C)(C)CN2CCOCC2)CCOC1 1711623887 BJCNHOZNBWTVAY-RUZDIDTESA-N 468.602 2.417 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)Nc3ccccn3)n2C[C@](C)(O)C(C)C)c1 1722307009 YALRIJPIGSRPKK-VWLOTQADSA-N 475.553 2.389 30 10 JEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 1722316071 ARVCYIGBGQSURS-LEWJYISDSA-N 489.646 2.069 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@H]1N(C)CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1722365689 DXHQJCWHJUMINM-TZIWHRDSSA-N 470.643 2.396 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCc1cccc(F)c1F)[C@H]1CCS(=O)(=O)C1 1722368745 VQRYNGRPDSHUPF-ROUUACIJSA-N 464.538 2.320 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cn4ccccc4n3)n2C[C@@H](CCC)OC)CC1 1722449749 YGNXUXUKYNTJJQ-OAQYLSRUSA-N 463.586 2.298 30 10 JEEE C=CC1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1722576869 WCEXFYZDZNFTIP-VQTJNVASSA-N 475.615 2.138 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C 1722681652 PGJOZQJVMAYUHN-ROUUACIJSA-N 483.635 2.219 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1722700882 XYZNDJNAIOMDDY-KRWDZBQOSA-N 455.563 2.012 30 10 JEEE CO[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(Cc2cc(C)on2)CC1 1729839893 BUWYCAAZNUQSPC-GOSISDBHSA-N 451.531 2.382 30 10 JEEE N#Cc1ccc(-c2nnc(N3CCO[C@H](c4nccs4)C3)n2CC(=O)NCC(F)F)cc1 1731184163 BWEIZJUBFBHMFP-HNNXBMFYSA-N 459.482 2.232 30 10 JEEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(CNC(C)=O)CC1 1740587733 ULZMFCJPOVEWIB-UHFFFAOYSA-N 457.604 2.004 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1CCCN(C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1740619185 GKXXKALZAIPLRE-HXUWFJFHSA-N 487.626 2.073 30 10 JEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCC(=O)NC1CCCCC1 1740639628 WGILHBRKXUGXLC-UHFFFAOYSA-N 474.613 2.364 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(Br)s1 1740640324 KSUNRBDMTKEYIK-AWEZNQCLSA-N 467.414 2.320 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC(C)(F)F 1740679366 WEDUQELFHOQHQH-GOSISDBHSA-N 485.532 2.435 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H]2CCOC[C@H]2OC)CC1 1740699647 OERXLHRBYRLTCY-GHTZIAJQSA-N 459.978 2.317 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2ccc(Br)cc2)CC1 1740706251 RCNMMIPZIQWARE-LJQANCHMSA-N 499.413 2.200 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@@H]2CSCCS2)CC1 1740706991 KWWZGJGFQHKGSW-LJQANCHMSA-N 456.641 2.078 30 10 JEEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC=C(c2ccccc2)C1 1740793301 QUZXQWSTLDUWDP-JOCHJYFZSA-N 487.626 2.497 30 10 JEEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1740796329 VFXBIGUHDYJDCS-RDPSFJRHSA-N 498.676 2.111 30 10 JEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nc(C)c(C)s2)CC1 1740888938 XHZBKQKVWJTVGB-GOSISDBHSA-N 480.660 2.173 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc(-c2cnn(C)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1740919003 SHGMQVOJZOQJAE-XTQSDGFTSA-N 458.526 2.398 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 1740951165 RIDGHYDHERCGMX-GOSISDBHSA-N 492.502 2.413 30 10 JEEE C=CCNC(=O)Cn1c(N(C)[C@@H]2CCCN(c3ccccc3)C2)nnc1[C@]1(OCC)CCOC1 1740964329 BBBADDISZREUJA-BWKNWUBXSA-N 468.602 2.338 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccc(F)cc2)CC1 1740992439 QBCBTHKAKKREPO-SFHVURJKSA-N 463.579 2.239 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N(C)Cc1nc(O)c2ccccc2n1 1740992666 LEASBWQWISPGPP-UHFFFAOYSA-N 479.566 2.150 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCO[C@@]2(CCOC2)C1 1740993758 IAVZFTHTZKAMAL-QHCPKHFHSA-N 476.599 2.070 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2ccccc2C)CC1 1740995497 NPZIMJTYABTXET-UNMCSNQZSA-N 489.642 2.238 30 10 JEEE CN(c1nnc(COc2ccc(C#N)cc2)n1CC[C@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1747656034 FSMRGNMWZLINRT-RTBURBONSA-N 459.572 2.311 30 10 JEEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1cccc(N2CCOCC2)n1 1748802760 IQSFIMOWSCQQTF-PUZFROQSSA-N 481.601 2.398 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H](C)N1CCC[C@@H](C)C1 1748957134 WBTVKGKLGPSNAC-WOJBJXKFSA-N 463.590 2.127 30 10 JEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](c2cccc(F)c2)N(C)C)CC1 1748994981 VCFFNQRCQNXDJF-HSZRJFAPSA-N 464.593 2.337 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCOCC(F)F)CC1 1749000537 XDVXTZSSBDRINP-KRWDZBQOSA-N 468.549 2.387 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2CCC(=O)N[C@@H](C)CC)CC1 1749016671 KKOLIJNWWMJDOS-FQEVSTJZSA-N 464.614 2.448 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CCCNC(=O)OC(C)(C)C)CC1 1749017030 TVRIHZSZNVBNTD-UHFFFAOYSA-N 481.601 2.145 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 1749268832 HULWFPVMBKLRQE-OAHLLOKOSA-N 470.020 2.265 30 10 JEEE C=CC1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCCS(C)(=O)=O)CC1 1749342584 IZJRLFWBJAWBMF-GOSISDBHSA-N 483.635 2.424 30 10 JEEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCCN1CCC[C@@H]1CO 1749484712 GRIHMXACKAKWKL-GOSISDBHSA-N 451.575 2.051 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1749736819 PXTORDNOSRJMJA-UHFFFAOYSA-N 495.584 2.202 30 10 JEEE C[C@H](CC#N)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1([S@@](C)=O)CCC1 1751092963 GUYQCABHJLCWMM-IBADJEFMSA-N 453.572 2.232 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1CCNC(=O)C(C)(C)C 1751201366 AEGKWPMJQPPSFJ-MRXNPFEDSA-N 487.630 2.091 30 10 JEEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(Cc2ccccc2F)n1CCCC(=O)N(C)C 1752279827 ADSLCQCZDRIXHZ-GOSISDBHSA-N 491.575 2.253 30 10 JEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1760157197 HRJNHMLPCNEIIM-IBGZPJMESA-N 456.616 2.232 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(OC)ccc2Br)n1Cc1nnc2n1CCC2 1760245104 RDELBBCVMKFLJR-UHFFFAOYSA-N 486.374 2.388 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCOc2cccc(C(F)(F)F)n2)CC1 1760256759 KKEBFUZMOKNDFN-JOCHJYFZSA-N 494.518 2.178 30 10 JEEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2CCCCN2CCN(CC)CC2)CC1 1760262044 GVDQTRUSIDWNNF-UHFFFAOYSA-N 485.627 2.320 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCCc2cnn(C)c2)CC1 1760267757 YQELPLYEDJSKGG-UHFFFAOYSA-N 491.596 2.294 30 10 JEEE C#CCSCCn1c(COc2ccc(F)cc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1760285510 INFXBRBFTLLDLM-UHFFFAOYSA-N 481.619 2.223 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1760525507 IAHGCWPOVPUDSQ-LJQANCHMSA-N 469.590 2.259 30 10 JEEE CC[C@@H](C)N(C)CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCO[C@H](C#N)C1 1762005355 DJMFIHYPOTUVCB-QZTJIDSGSA-N 464.574 2.134 30 10 JEEE COc1cc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CC[C@](F)(C#N)C2)cc(OC)c1OC 1768300484 GMHNIKCPEXSNIA-QHCPKHFHSA-N 481.488 2.441 30 10 JEEE CN(CCC1CCOCC1)c1nnc(COc2ccc(C#N)cc2)n1CC1(C(N)=O)CCOCC1 1768871517 HOOJWDMDRMMLTN-UHFFFAOYSA-N 482.585 2.264 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1772660443 XJRKZIRNCYSLBW-MBSDFSHPSA-N 476.599 2.329 30 10 JEEE CCN(CC)S(=O)(=O)c1ccc(C(=O)N[C@H]2CCN(C(=O)c3cccc(C#N)c3)C2)cc1 1858298799 ZLZPKGXHJUDLAC-FQEVSTJZSA-N 454.552 2.233 30 10 JEEE CC[C@H](NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1)C(=O)N(CCOC)CCOC 1868794269 APLMWRPIWTUBKK-OALUTQOASA-N 450.605 2.041 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)Nc2ccc(C(=O)OCC)cc2)cn1CCO 1870704340 VZOXCLSGYOTDAX-UHFFFAOYSA-N 469.538 2.209 30 10 JEEE COc1cc(Br)cc(/C=N/Nc2cnn([C@@H]3CCS(=O)(=O)C3)c(=O)c2Cl)c1O 1873529086 MMWGOYSXHZDPSJ-WZZUDYRYSA-N 491.751 2.179 30 10 JEEE NC(=O)CSc1nnc(COCc2ccccc2)n1/N=C/c1cc2c(cc1[N+](=O)[O-])OCCO2 1874354236 ZBIDTRMJSBOFNC-AUEPDCJTSA-N 484.494 2.134 30 10 JEEE CCCN(CCC)C(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1ccc([N+](=O)[O-])cc1 1874434685 RXEWHETXWMJHIM-WSDLNYQXSA-N 461.548 2.445 30 10 JEEE N#Cc1cc(I)c(OC[C@@H](O)CN2C(=O)c3ccccc3C2=O)c([N+](=O)[O-])c1 2085011858 QSDFGKRSSUTCJY-NSHDSACASA-N 493.213 2.107 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2COCC[C@@]2(C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C1 2124620603 JCULQAQBYIDMRE-TYBLODHISA-N 454.571 2.497 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H]1CNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2247904440 OHRMQYLTLKUFSP-CYBMUJFWSA-N 458.411 2.335 30 10 JEEE CC(C)(C)OC(=O)N[C@@]12C[C@@H]1CN(S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)C2 2255947663 CHZWPHVHINUHKE-ZUOKHONESA-N 470.422 2.335 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@]1(C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2256620989 PCMGAMXJWCJPOF-ODXCJYRJSA-N 452.386 2.281 30 10 JEEE C[C@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2256628949 OPKVGGSTIWRECF-WOSRLPQWSA-N 454.398 2.499 30 10 JEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1O 2267126853 DVYPFHOEHKKZOH-JKSUJKDBSA-N 466.409 2.456 30 10 JEEE CC(C)(C)OC(=O)NCCN(CCO)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2267414144 KUOPMZINIVWTPV-UHFFFAOYSA-N 452.332 2.084 30 10 JEEE Cc1nc(C(=O)N2CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2267480786 FQPGBVHQLXPNIQ-PWSUYJOCSA-N 461.315 2.280 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C(C)C)n1 2267528099 PDYWRTCNEFMNTM-INIZCTEOSA-N 450.389 2.481 30 10 JEEE CN(Cc1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(=O)[C@H]1C[C@H](O)CN1C(=O)OC(C)(C)C 2268633835 UXDLOMLVOLUELY-DOTOQJQBSA-N 466.409 2.376 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)N[C@H]1CCC=C1B1OC(C)(C)C(C)(C)O1 2268653506 NXTBSNMBYLFBLH-HOTGVXAUSA-N 472.413 2.151 30 10 JEEE CC(C)(C)OC(=O)N1CC(N2CCC[C@@H]2C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C1 2271808063 GISKEYRAGCNXIR-IFMALSPDSA-N 453.587 2.307 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2ccc(F)c(B3OC(C)(C)C(C)(C)O3)c2)[C@H](O)C1 2281790306 UALNLSDBYCRDGO-QZTJIDSGSA-N 464.343 2.225 30 10 JEEE CC(C)(C)OC(=O)NC[C@@]1(O)CCCN(C(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2281935689 DBRRGVVCKUVFNM-DEOSSOPVSA-N 460.380 2.478 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)(C2CC2)C1 2281984901 GKEIKEWILIAYKC-QHCPKHFHSA-N 460.384 2.476 30 10 JEEE 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)F 2281985656 LFTOLZLQWHPJRW-WCQYABFASA-N 474.289 2.237 30 10 JEEE Cn1cc(C(=O)N[C@H]2C[C@H]3CC[C@H]2N(C(=O)OC(C)(C)C)C3)nc1B1OC(C)(C)C(C)(C)O1 2282051230 SCOWYYVMNNETHR-HLLBOEOZSA-N 460.384 2.237 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)C[C@H]1CCO 2282182624 VCXJKICDWYBHKA-LJQANCHMSA-N 460.380 2.430 30 10 JEEE C[C@@H]1CN(S(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C[C@@H]1CNC(=O)OC(C)(C)C 2282351435 AJFVAYIPJLATRX-CVEARBPZSA-N 481.424 2.162 30 10 JEEE CC1(C)OB(c2cncc(S(=O)(=O)N3C[C@@H]4CCN(Cc5ccccc5)[C@H]4C3)c2)OC1(C)C 2282352472 OVCRIFHAABYRHB-UGKGYDQZSA-N 469.416 2.276 30 10 JEEE C[C@H]1C[C@H](N(C)S(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CN1Cc1ccccc1 2282492214 NZCKUVZSEMGTPV-HKUYNNGSSA-N 474.436 2.003 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H]1C[C@H]1CNC(=O)OC(C)(C)C 2282495551 NUYYOSBPPDCREW-HOCLYGCPSA-N 482.408 2.186 30 10 JEEE CCn1cc(C(=O)NC[C@@H]2[C@H]3C[C@H]3CN2C(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2282545557 XDIUIMKMBXPJEN-YQQAZPJKSA-N 460.384 2.187 30 10 JEEE Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H](O)C1 2282683848 JCINUIVRQBAQDF-KRWDZBQOSA-N 460.380 2.348 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)[C@@H](CO)C1 2282686372 RMFJGADBTJSPMF-IEBWSBKVSA-N 460.380 2.334 30 10 JEEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC(C)(C)[C@@H]1CCCN1C(=O)OC(C)(C)C 2282699444 JFBGKDXUEWWHSA-AWEZNQCLSA-N 463.388 2.022 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(O)cc2O)C1 2282975756 OUXYCMKEXVBOKS-HDJSIYSDSA-N 462.352 2.430 30 10 JEEE CC(C)(C)OC(=O)NC1CCN(CC(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)CC1 2283958625 BNGVLBCWVDVWOZ-UHFFFAOYSA-N 480.440 2.048 30 10 JEEE Cc1nc(NC(=O)CO[C@H]2CCN(C(=O)OC(C)(C)C)C2)ncc1B1OC(C)(C)C(C)(C)O1 2284042581 SRRIFUXZBXKJOC-HNNXBMFYSA-N 462.356 2.049 30 10 JEEE CC1(C)OB(c2cc(C(=O)NC3(C(=O)O)CCN(Cc4ccccc4)CC3)ns2)OC1(C)C 2284477322 VPMSWJTZMLSINR-UHFFFAOYSA-N 471.388 2.292 30 10 JEEE COCC[C@@H](CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1C)NC(=O)OC(C)(C)C 2285200009 USHVCVDRVBTMSB-KRWDZBQOSA-N 463.384 2.349 30 10 JEEE CN(C[C@]1(O)CCCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)C1)C(=O)OC(C)(C)C 2286340529 YWCXDFPVZFSPOS-HSZRJFAPSA-N 464.368 2.413 30 10 JEEE CCN1C(=O)[C@]2(C(=C(O)c3ccc(C)o3)C(=O)C(=O)N2CCCN2CCOCC2)c2ccccc21 2296937015 AWIQLOBTIORRMB-AREMUKBSSA-N 479.533 2.253 30 10 JEEE Cn1ccnc1C(=O)N1C[C@H](C(N)=O)[C@@H](C2CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)C1 2297650727 RODITYLEXOPKSU-MSOLQXFVSA-N 474.487 2.401 30 10 JEEE CC(C)(C)OC(=O)N[C@]1([C@H](O)C#CC(C)(C)S(C)(=O)=O)CCN(Cc2ccccc2)C1 2301487075 MXXMCOKMTKKLGP-AUSIDOKSSA-N 450.601 2.343 30 10 JEEE COc1ccc(N2C[C@H](c3nnc(SCC(N)=O)n3N=Cc3cccc([N+](=O)[O-])c3)CC2=O)cc1 2325880803 BQKPEFPKGPPGQZ-OAHLLOKOSA-N 495.521 2.175 30 10 JEEE CN(C[C@@H]1CN(C(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)CCO1)C(=O)OC(C)(C)C 2337397766 GYDZTOCKTYYEOA-CQSZACIVSA-N 467.397 2.150 30 10 JEEE Cc1c(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H]3C[C@H]23)nn(C)c1B1OC(C)(C)C(C)(C)O1 2359277967 KUFGXZXDINBHSV-OWCLPIDISA-N 460.384 2.155 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)F 2362342922 ZAIYSDHIXRLFKZ-IAGOWNOFSA-N 460.334 2.215 30 10 JEEE C#CCn1/c(=N/C(=O)[C@@H]2CCCCN2S(C)(=O)=O)sc2cc(Br)ccc21 13794926 HTHUKVRPXXDLBO-STGLLQLASA-N 456.387 2.340 30 10 JEEE Cc1ccc(NC(=O)CSc2nnc(N/N=C/c3cc([N+](=O)[O-])ccc3O)n2N)c(C)c1 20527371 VCCNPTMQCZNOSG-ZVBGSRNCSA-N 456.488 2.399 30 10 JEEE Cc1ccc(N2CCN(c3nccn4c(=O)n(CC(=O)Nc5ccc(C#N)cc5)nc34)CC2)cc1 65151780 WTNXEECQFXCODV-UHFFFAOYSA-N 468.521 2.036 30 10 JEEE CCNS(=O)(=O)c1ccc(NC(=O)CSc2n[nH]c(NN=C(C)c3ccccn3)n2)cc1 1083964329 RGGPROHJWPNPFQ-UHFFFAOYSA-N 474.572 2.065 30 10 JEEE COC(=O)c1csc(S(=O)(=O)N2CCN(C(=O)c3ccc(Cl)c(C#N)c3)CC2)c1 1124530317 HILFYARNMXXYRX-UHFFFAOYSA-N 453.929 2.206 30 10 JEEE C#C[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1)[C@@H]1CCCO1 1128169483 BNKREXJOMXCNSM-JLSDUUJJSA-N 455.374 2.147 30 10 JEEE CC#CC[C@H](CO)NC(=O)[C@H](CCSC)NS(=O)(=O)c1ccc(Cl)c(Cl)c1 1144923185 OPIXQGCFWRRQDW-WBMJQRKESA-N 453.413 2.284 30 10 JEEE C#CCCCCn1c([C@@H]2CCOC2)nnc1N1CCC(CC(=O)N2CCN(CC)CC2)CC1 1286324404 OYMLWNDCDUBGAR-JOCHJYFZSA-N 456.635 2.356 30 10 JEEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1C[C@H]1CC=CCO1)[C@H]1CCS(=O)(=O)C1 1286398196 WMJHAZPXPSEMJX-LEWJYISDSA-N 470.595 2.446 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccc(F)c(F)c2)CC1 1286487200 SNGKEAGAEBCYLG-UHFFFAOYSA-N 472.540 2.489 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CCNC(=O)c2ccc(C)cc2)CC1 1286490336 QAVLCTHQGXFFLW-UHFFFAOYSA-N 471.565 2.044 30 10 JEEE C=C1CCN(c2nnc(C(=O)NC(CC)CC)n2CCNS(=O)(=O)c2ccccc2)CC1 1286636999 QLCYSBCDPUBVDJ-UHFFFAOYSA-N 460.604 2.331 30 10 JEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](N2CCCC2)C1 1286688702 SNBHOILFOPZDNQ-PMACEKPBSA-N 466.652 2.032 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCCN(C(=O)C(C)C)CC1 1286779348 GUCSDZMWPMVYLD-UHFFFAOYSA-N 478.395 2.033 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1C[C@H]2CCCN2C[C@H]1C 1286821213 DFUYYTVPMOBBLI-UYAOXDASSA-N 459.616 2.151 30 10 JEEE CCn1cccc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)c1=O 1295938751 HUHNIUXDDZXNAT-HXUWFJFHSA-N 466.567 2.060 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCS(=O)(=O)c1ccccc1 1300298652 FRDXOMBXCGUOIC-QGZVFWFLSA-N 486.623 2.170 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cn3nc(C)cc3C)n2Cc2nnc(C)s2)c1 1300336629 LWGQAGVBUFIRTM-UHFFFAOYSA-N 475.582 2.404 30 10 JEEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC2(CC1)CNC(=O)C2 1300344726 HSNUOBHLPVWXOQ-UHFFFAOYSA-N 455.584 2.259 30 10 JEEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1CC(CC)(CC)OC)[C@H]1CCS(=O)(=O)C1 1300501650 MPQJCNGNPBUPKW-FQEVSTJZSA-N 484.626 2.349 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(C)nc3ccccc23)n1CCC(=O)N1CCOCC1 1300658240 ZNSSEYWMYJIKBJ-UHFFFAOYSA-N 462.554 2.137 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCO[C@H](C)C1 1300663699 HKAXFYCVHXFBAE-MSOLQXFVSA-N 450.543 2.093 30 10 JEEE C#CCN(CCOC)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCC2(C1)OCCO2 1300675397 QNZZWBUIJJLJKW-FQEVSTJZSA-N 451.527 2.358 30 10 JEEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1300708588 VVAZLYKOTOPZFI-NRFANRHFSA-N 485.654 2.479 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCCCc2nc(C)cs2)CC1 1300719433 AORHWOZEPMSDHZ-UHFFFAOYSA-N 466.615 2.432 30 10 JEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1300768009 JGZQZJGLJNFPLV-FQEVSTJZSA-N 450.568 2.216 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCNC(=O)C1 1300896171 ZYMRQYJBTWWQTE-JENIJYKNSA-N 460.579 2.268 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCCN(c2cc(OC)cc(OC)c2)CC1 1301491211 MRLSRJVMMQVKET-UHFFFAOYSA-N 465.558 2.309 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCO[C@@H](c2nnc(C(C)C)o2)C1 1301497483 XZMLKBLIHBOCIQ-QGZVFWFLSA-N 452.519 2.035 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N(C)C[C@@H](c1cccs1)N1CCOCC1 1301499751 FJWVWSBDNXFCOI-MOPGFXCFSA-N 474.631 2.046 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1301578216 ZQQOJSCXBKKCNO-RDJZCZTQSA-N 450.996 2.267 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N(C)[C@@H]1CCN(Cc2ccccc2)C1 1301589637 VCDGSNWVUYRNMD-FGZHOGPDSA-N 473.643 2.484 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1C[C@]1(O)CCS(=O)(=O)C1 1358895680 OHMULUYKOSHTLI-VGOFRKELSA-N 481.018 2.259 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Cl)n1CC(C)(C)C(=O)NCC)[C@H]1CCS(=O)(=O)C1 1358959496 JYGFXFJXGIYXCA-INIZCTEOSA-N 478.018 2.388 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H](OCC)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1358964004 RGIAAKYZWPVWHJ-NJYVYQBISA-N 458.584 2.187 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(C#N)c2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1358989595 ISJURYJTDKCKMM-HSZRJFAPSA-N 457.582 2.222 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCSc2ccccc2)CC1 1359040290 OGNYJRCPDDNJFK-UHFFFAOYSA-N 466.611 2.272 30 10 JEEE C=C(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1359119347 MPNMWSMRKRSCIE-UHFFFAOYSA-N 450.551 2.081 30 10 JEEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1359137648 WELNUDOYGMLROY-WMZOXILCSA-N 450.580 2.368 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1359305534 GCTPYBIEIGQVJA-FHWLQOOXSA-N 490.605 2.037 30 10 JEEE C=CCNC(=O)Cn1c(N2CCc3ccc(Cl)nc3C2)nnc1[C@]1(OC(C)C)CCOC1 1359306056 USSLTRDHKSVBRZ-QFIPXVFZSA-N 460.966 2.232 30 10 JEEE Cc1nsc(N2CCN(C(=O)CNC(=O)c3ccc(Br)s3)CC2)c1C#N 1450536822 ABNGIYLSSKWBJQ-UHFFFAOYSA-N 454.375 2.226 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(Oc3cncc(Cl)n3)CC2)s1 1467361136 HWXVGKCMRCRESS-UHFFFAOYSA-N 456.977 2.268 30 10 JEEE C#CCN(CC(=O)Nc1nc(CC(=O)OC)cs1)C1CCN(C(=O)OC(C)(C)C)CC1 1473796934 LRTXBXVFPSCTEC-UHFFFAOYSA-N 450.561 2.132 30 10 JEEE CO[C@@]1(Cn2c(-c3ccc(Br)s3)nnc2N2CCO[C@@H](C#N)C2)CCOC1 1504045735 CKSSPXYNHSSTEE-YVEFUNNKSA-N 454.350 2.303 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1507644068 BRNDPNHNVGQDPN-GOSISDBHSA-N 475.557 2.249 30 10 JEEE C#CCN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H]1CCS(=O)(=O)C1 1507689673 LRACJFZLOLFYFI-KRWDZBQOSA-N 465.620 2.287 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1CC1(N2CCSCC2)CCCCC1 1507703212 SISMRPZCZMGJGR-UHFFFAOYSA-N 462.664 2.254 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1cccc(N2CCOCC2)n1 1507707061 RHVLBSMPUOKBPD-UHFFFAOYSA-N 477.525 2.219 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@H]2CCCCS2(=O)=O)CC1 1507719342 AEUSPXMKSLDKHN-IBGZPJMESA-N 492.443 2.430 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H](C)N2CCN(CC)CC2)CC1 1507720883 JQABOMFJISUDAQ-FQEVSTJZSA-N 456.038 2.380 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2C[C@H]2CCOC[C@@H]2OC)CC1 1507739207 AYSOWAYUOHWEIZ-PKTZIBPZSA-N 465.598 2.081 30 10 JEEE C#CCSCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1C[C@H](OC)[C@H](OC)C1 1507752416 WUCLWAHNLMDYQV-BGYRXZFFSA-N 482.610 2.452 30 10 JEEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1507782479 HDVIKUUWQWYXSD-UHFFFAOYSA-N 491.438 2.158 30 10 JEEE C=CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1508061247 MFADJWGQAUJZDX-KRWDZBQOSA-N 482.651 2.439 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2Cc2cc(C)nn2C)C1 1508118268 RFZXHWWKCKKAOZ-FQEVSTJZSA-N 485.614 2.067 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCCN(CC)C(=O)C1 1508134532 GJHCZYLBDGHYDJ-UHFFFAOYSA-N 482.610 2.461 30 10 JEEE CCN1CCN(C[C@@H](C)Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N(C)[C@H](C)CC#N)CC1 1515936600 HGIRPRVUVBEZLC-WOJBJXKFSA-N 487.674 2.361 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H]1OCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1539213369 YIQFKKLUUKFYIM-UWJYYQICSA-N 488.610 2.404 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CC1=CCCOC1)[C@H]1CCS(=O)(=O)C1 1539218779 CXFWZZBMPPIRRH-KRWDZBQOSA-N 462.522 2.121 30 10 JEEE C#CCSCCn1c(-c2ccc(OC)cc2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1539505334 AUFOJBFPLCFWCA-AUSIDOKSSA-N 482.654 2.309 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)c(OC)c2)n1CCCn1cc(CO)nn1 1539548900 ZSZYFGMPICRJDR-HSZRJFAPSA-N 451.531 2.129 30 10 JEEE C=C(C)COCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCNC(=O)C1 1539728020 BBKPRKUOASSLFN-UHFFFAOYSA-N 450.337 2.245 30 10 JEEE C=CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCCS(C)(=O)=O 1540006141 QULDUCFAGSSGTI-QGZVFWFLSA-N 471.624 2.424 30 10 JEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)Cc1ccc(OC)cc1 1540071892 IITNZBYMBCMFQS-YLJYHZDGSA-N 463.604 2.121 30 10 JEEE C=CCNS(=O)(=O)c1cccc(C(=O)Nc2cccc(S(=O)(=O)N[C@H](C)CC)c2)c1 1545455124 KDUXBGDXFWTKBG-OAHLLOKOSA-N 451.570 2.480 30 10 JEEE N#CCCN(CC1CC1)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](N1CCOCC1)C(F)(F)F 1555993847 FMLIPPGRFSUJKT-KRWDZBQOSA-N 492.506 2.319 30 10 JEEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H](c2ccc(C)cc2)[C@H](C)S(C)(=O)=O)c1 1561518959 KWDXRVCGFOZHGS-JXFKEZNVSA-N 450.582 2.364 30 10 JEEE C#CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCS(=O)(=O)CC 1587765190 CBTZZVVBSRQHMX-SFHVURJKSA-N 483.635 2.261 30 10 JEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1 1587808216 OFVVMFNEEWOYOZ-BZSNNMDCSA-N 480.635 2.137 30 10 JEEE C#CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1587831360 NBUKEUNTJLQNFE-DEOSSOPVSA-N 466.542 2.190 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCCN1CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1588053925 IXEPQUUFFQLGEL-BDTNDASRSA-N 477.675 2.311 30 10 JEEE C#CCN(c1nnc(CN2CCCC2=O)n1CCCSc1ccccc1)[C@H]1CCS(=O)(=O)C1 1588070331 YWJJRWYSGSMQQY-IBGZPJMESA-N 487.651 2.210 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CC(F)(F)CO1 1588219252 PEZCTVHDNHMVTR-MRXNPFEDSA-N 452.465 2.079 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCCOCC2CC2)CC1 1588837409 SZPYZIRCUJHAGG-OAQYLSRUSA-N 488.633 2.158 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2Cc2conc2COC)CC1 1588908671 UUICDZUAXJPHIQ-UHFFFAOYSA-N 494.552 2.111 30 10 JEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1588969162 WCRIYONXQXTBPN-HDICACEKSA-N 474.631 2.184 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](c1cccc(OC)c1)N(C)C 1589150636 IDPMTYJEODPAER-DHJUGAMNSA-N 474.631 2.192 30 10 JEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](Oc2ccccc2Cl)C1 1595405610 UBRUGMOVNCKONB-MAUKXSAKSA-N 467.979 2.108 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cccc(C(F)F)c2)C1 1595730043 SKYREBQPNMVZCD-MOPGFXCFSA-N 497.568 2.378 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1595777907 UIORMNSPHAPENS-HOTGVXAUSA-N 452.920 2.313 30 10 JEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](O)(c2ccc(F)cc2)C1 1595884267 IYZZHSDKNFVCJQ-HRAATJIYSA-N 466.604 2.336 30 10 JEEE CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCSC2)CC1 1615937641 BVNLCYBLPIDRAP-IBGZPJMESA-N 453.616 2.218 30 10 JEEE COC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCCN1S(=O)(=O)c1ccc(Cl)cc1C#N 1622111305 DOBLWWCJTBFUQN-OAHLLOKOSA-N 457.936 2.385 30 10 JEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1ccc(COC2CCOCC2)cc1 1636946760 IFFJWYOIUWYZJK-KRWDZBQOSA-N 457.552 2.237 30 10 JEEE C=CCNS(=O)(=O)c1cccc(C(=O)N(C[C@@H](O)CC(C)(C)C)C2CCN(C)CC2)c1 1640528238 ZVPAPSYSIWTKFM-FQEVSTJZSA-N 451.633 2.484 30 10 JEEE C=CCN1CC[C@H](N(C)c2c([N+](=O)[O-])cnc3c2ccn3S(=O)(=O)c2ccccc2)C1=O 1651793209 HIGLGEPEVLNJOB-KRWDZBQOSA-N 455.496 2.405 30 10 JEEE CC1(C)CN=C(N2CCN(CC(=O)N3CCN([C@@H](C#N)c4ccc(F)cc4)CC3)CC2)S1 1652921404 BJGZPOHZWDPGRN-FQEVSTJZSA-N 458.607 2.034 30 10 JEEE C=CC[C@@H]1CCCC[C@H]1NCC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 1659401883 XEKJPRWYADFHQR-IEBWSBKVSA-N 451.589 2.379 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CCC3)n2CCS(=O)(=O)CC2CC2)c1 1689870062 AHNROSKLVVZHSB-UHFFFAOYSA-N 455.584 2.427 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC)n2C[C@@H](N2CCOCC2)C(F)(F)F)c1 1689872161 QBTGOTYQPLZDGC-GOSISDBHSA-N 464.492 2.160 30 10 JEEE C#CCCCCn1c(N2CC[C@H](N3CCN(CC)CC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1689907006 XXPDBAMBBUVNMM-DHLKQENFSA-N 458.651 2.338 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1ccccc1COCC)[C@H]1CCS(=O)(=O)C1 1689993954 OEYGISIQZAMRII-QHCPKHFHSA-N 479.606 2.475 30 10 JEEE C#CCN(c1nnc(COc2ccccc2OC)n1C[C@@H]1CCCS1)[C@@H]1CCS(=O)(=O)C1 1689997121 WHLKWDWWDVYKMC-MSOLQXFVSA-N 476.624 2.388 30 10 JEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCCN1CCC 1690013263 IBZPRAVMPUGFAG-IBGZPJMESA-N 453.616 2.185 30 10 JEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2F)C[C@H]1C 1690155943 QEVORSQEWSLYJN-SJORKVTESA-N 480.635 2.109 30 10 JEEE C=C(Br)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)CCS(C)(=O)=O 1690218448 HATJNBJXUBFSOV-UHFFFAOYSA-N 490.811 2.251 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](COCC)C1 1690245931 OSRVCWZAHOUIJF-ZRNYENFQSA-N 452.621 2.414 30 10 JEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C[C@H]2CCOC2)C1 1690508890 RZYGFVVGLSBWBU-VAMGGRTRSA-N 452.621 2.416 30 10 JEEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1 1690643854 ZJRLTZWLVLCEPJ-DOTOQJQBSA-N 453.609 2.496 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)OCCOC)nnc1N1CCC2(CC1)Cc1ccccc1C2=O 1690661056 UAHQZDCHLWXERC-GOSISDBHSA-N 467.570 2.330 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCCN(CC(F)(F)F)CC1 1690667147 RRBKSIRJVIIVFN-UHFFFAOYSA-N 452.481 2.330 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(F)cc3Br)n2CC(=O)N2CCOCC2)C1 1690692056 QFTOTKRBOLXNTH-MRXNPFEDSA-N 494.365 2.487 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCC(c2cnn(CC)c2)CC1 1690728887 ABEGCYHEWHENGT-UHFFFAOYSA-N 486.646 2.341 30 10 JEEE CNC(=O)[C@@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(COC)CCOCC2)C1 1696926936 GLGRPBBDCVTWSQ-DEOSSOPVSA-N 482.585 2.134 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1CCOC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1705560456 HABBZCONSOKSTM-CMKODMSKSA-N 488.610 2.262 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1cccc(OCC(C)C)c1)[C@H]1CCS(=O)(=O)C1 1705567027 SMAAVTVJLHEUTF-RTWAWAEBSA-N 472.611 2.492 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CC(F)(F)CO1 1705590997 BUQARASUFJYURS-SFHVURJKSA-N 477.537 2.083 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2)n1CCS(=O)(=O)N1CCSCC1 1705592049 ALWKVTAGJMBJCS-UHFFFAOYSA-N 478.043 2.440 30 10 JEEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCNC(=O)c1ccc(C)cc1 1705611148 RJTKHZYDZWNPIO-UHFFFAOYSA-N 479.610 2.436 30 10 JEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)c2ccc(F)cc2)CC1 1705651659 FGFCBFSJULBTHC-INIZCTEOSA-N 493.630 2.493 30 10 JEEE C#CCSCCn1c(COc2ccccc2F)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1705667046 ZYRQMTHMZGDOON-QHCPKHFHSA-N 486.573 2.177 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)Nc1c(C)cccc1C 1705737446 RAVALYBEIHUPTP-IBGZPJMESA-N 475.615 2.465 30 10 JEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(O)(c2ccccc2)CC1 1705819330 JQSUFSBBOUXWJN-HXUWFJFHSA-N 475.615 2.065 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cccc(CS(C)(=O)=O)c2)C1 1705914301 KZDUKHBHNHBEAB-HXUWFJFHSA-N 496.593 2.300 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCO[C@H](C(F)(F)F)C1 1705932757 JZZHWNYMKRHPOA-INIZCTEOSA-N 460.478 2.322 30 10 JEEE CNC(=O)c1cccc(Cn2c(C3CCN(c4ncccn4)CC3)nnc2N(C)C[C@H](C)C#N)c1 1711332262 DZWZZJHTVQRMHZ-GOSISDBHSA-N 473.585 2.456 30 10 JEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1C[C@@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1722371649 KSVFUTXXTKIFIZ-IRLDBZIGSA-N 472.611 2.268 30 10 JEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1C[C@@H]1CCOC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1722372127 PPMFZJSJLWABGG-ILWGZMRPSA-N 486.638 2.371 30 10 JEEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCc2ccc(OCC)c(OCC)c2)CC1 1722437857 KHOOKHMRGLTCJS-UHFFFAOYSA-N 463.586 2.474 30 10 JEEE C#CCN1CCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1722442104 SPACWVHMJCATHA-KRWDZBQOSA-N 480.059 2.414 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCN1CCC(O)CC1 1722468832 UMDQZYOZWVTTKF-XMMPIXPASA-N 471.627 2.188 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(c2ncccc2C#N)CC1 1722689729 YCRNZGBKFHFTHY-GOSISDBHSA-N 490.543 2.453 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCC[C@H](NC(=O)OCC)C1 1722725352 KEHZGYGCLXITFB-INIZCTEOSA-N 465.551 2.400 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CC[C@](O)(c2ccc(C)cc2)C1 1722729528 NQLZQCQUURAHFA-XMMPIXPASA-N 467.595 2.271 30 10 JEEE C=CCSCCn1c(Cc2ccccc2F)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1722741878 ZGEGPFIHPIDJNQ-KRWDZBQOSA-N 470.578 2.459 30 10 JEEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(OCCC(C)C)CC1 1729741005 FGVQIWTUCDNPPE-UHFFFAOYSA-N 460.604 2.397 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)Nc3ccccn3)n2Cc2snnc2C)c1 1740562017 KEWCWEMTHRDUBD-UHFFFAOYSA-N 487.549 2.190 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC)n2C[C@@H]2CCC[C@H]2N2CCCS2(=O)=O)c1 1740564082 AJVQIBNFNOCCDK-PZJWPPBQSA-N 484.626 2.101 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1Cc1nccc(C(F)F)n1)[C@@H]1CCS(=O)(=O)C1 1740622350 XRYQZRMQGWZKEF-OAHLLOKOSA-N 488.520 2.356 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1Cc1ccc(C(N)=O)nc1 1740653853 ZPPBDQZWGNMUAC-UHFFFAOYSA-N 494.559 2.070 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H](C(C)C)N1CCOCC1 1740669340 WINOTUNGGXJYOK-OAQYLSRUSA-N 463.586 2.008 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(COCC)cc2)CC1 1740700790 IJJIUJSGJBSLHA-UHFFFAOYSA-N 478.597 2.065 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H]2CCOC[C@@H]2OC)CC1 1740707367 ZIMVJZOSINFLLY-UNMCSNQZSA-N 469.561 2.025 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOCC)[C@@H](CC)C1 1740745614 ZJOWWRMHHIXAPR-SJORKVTESA-N 490.468 2.026 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1740750043 KRIXSXPZQFJYRF-JKSUJKDBSA-N 476.519 2.420 30 10 JEEE C=C(C)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCCN(S(C)(=O)=O)CC1 1740781329 CAYKMDMWMBUJRY-SFHVURJKSA-N 482.651 2.440 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)N1CCOCC1 1740935281 GWCFYSRGYWJFBI-UNMCSNQZSA-N 473.643 2.136 30 10 JEEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1740963421 KKSLWNOHXQKECI-JXQFQVJHSA-N 455.559 2.240 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CCC[C@H]1c1nncn1C 1740994588 UJJLPOOZLZDNCS-KRWDZBQOSA-N 475.550 2.067 30 10 JEEE CO[C@H](C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1748379055 BGDPJLGSPGMXFV-UONOGXRCSA-N 486.378 2.447 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCNC(=O)c1ccco1 1748846162 DSIHOPSHNBCWCU-IBGZPJMESA-N 480.569 2.488 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2nc(C(F)(F)F)cs2)CC1 1748972072 BRRVPNCDLFGQDY-UHFFFAOYSA-N 476.488 2.204 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CC(C)(C)CN(C)C)CC1 1749011189 YECHQRAQGRXTCS-UHFFFAOYSA-N 466.586 2.227 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C)N1CCN(CC)CC1 1749538830 NEZBCZKVMKZKEU-IRLDBZIGSA-N 451.619 2.448 30 10 JEEE C=CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1749606328 UGYDDRSIQKGVGP-FXAWDEMLSA-N 479.578 2.374 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(CN2CCO[C@H](C)C2)c1 1750068389 BUNQYHCDYQSWPD-OPYAIIAOSA-N 451.575 2.094 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CCCNS(C)(=O)=O 1760104660 CDNPQYJLXLWWGZ-ZDUSSCGKSA-N 470.393 2.113 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CCC2CCOCC2)c1 1760126521 AYTXTSNRBZIEQB-UHFFFAOYSA-N 464.570 2.387 30 10 JEEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1760144093 CRVWHTQBMLXRGE-HXUWFJFHSA-N 467.961 2.377 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1C[C@@H]1CCCCS1(=O)=O)[C@H]1CCS(=O)(=O)C1 1760182567 GLUHWWYOVODRHE-OALUTQOASA-N 497.042 2.193 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1CCCN(C)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1760183600 CBJNKRNNFTXZNG-JOCHJYFZSA-N 478.622 2.489 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCN1CCOCC1 1760253853 XHYTVQOPEXYSLV-FQEVSTJZSA-N 476.622 2.158 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)CC1 1760257288 SVYCLUGPHYPUNU-MOPGFXCFSA-N 464.611 2.013 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2C[C@H]2CC(F)(F)CO2)CC1 1760271293 SONZLBOZAXIKOY-HXUWFJFHSA-N 473.524 2.290 30 10 JEEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@](F)(C#N)C1 1760276036 RBWIXCZTFCEJNB-HXUWFJFHSA-N 462.576 2.004 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C(C)(C)C)C1 1760322367 RKSHJOJQLGAFQT-WTGUMLROSA-N 481.663 2.465 30 10 JEEE C=CCCOCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1760445400 INCMWHNEMMBMMH-HXUWFJFHSA-N 467.574 2.296 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](C)CNC(=O)OC(C)(C)C)C1 1760534326 VWNSLWOQSOXNAM-IAGOWNOFSA-N 450.584 2.358 30 10 JEEE C=CCS(=O)(=O)CCn1c(CSc2ccccc2OC)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1760558499 QKYQIJPFNLOBJB-QFIPXVFZSA-N 491.639 2.039 30 10 JEEE CCC[C@@H](C)C(=O)NCCn1c(-c2cccnc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1765475694 IFSUKWURMXTXMD-MOPGFXCFSA-N 488.600 2.269 30 10 JEEE CCC[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1)OC 1765573721 DRYISUCOOIYPRX-VXKWHMMOSA-N 486.642 2.189 30 10 JEEE CN(C)C(=O)CCCn1c(COc2ccc(Br)cc2)nnc1N1CCO[C@@H](C#N)C1 1768439585 FYNXOQKBZDPKTG-KRWDZBQOSA-N 477.363 2.217 30 10 JEEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(C(=O)O)cc2)c1 1862701522 HBXRZFXLNJUTSX-NRFANRHFSA-N 466.490 2.304 30 10 JEEE C=CCN(CC=C)C(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccc(OCCCC)cc1 1865730225 YSWYRMGKOIWAOY-LJQANCHMSA-N 480.565 2.158 30 10 JEEE CC(C)(C)N1C[C@@H](C(=O)Nc2c(C#N)nnn2Cc2cc(Cl)cc3c2OCOC3)CC1=O 1870109164 LKQYPENPHOEUDE-ZDUSSCGKSA-N 458.906 2.303 30 10 JEEE COc1cc(=O)n(-c2ccccc2)nc1C(=O)N1CCC(CN(C)c2ncccc2C#N)CC1 1891324068 PMTAFTNXLOBGNX-UHFFFAOYSA-N 458.522 2.496 30 10 JEEE CC1(C)OB(c2ccc(NS(=O)(=O)CCCCN3C(=O)c4ccccc4C3=O)nc2)OC1(C)C 2040765924 XEYWETRJUXAIIZ-UHFFFAOYSA-N 485.371 2.199 30 10 JEEE Cc1ncc(S(=O)(=O)N(Cc2ccccc2)CC2(O)CN(C(=O)OC(C)(C)C)C2)cc1C#N 2118163415 QTECWPPSKFMJJM-UHFFFAOYSA-N 472.567 2.434 30 10 JEEE CC1(C)OB(c2cc(C(=O)N[C@@]3(C)CCN(C(=O)OCc4ccccc4)C3)[nH]n2)OC1(C)C 2247827266 GPJBZMZORRQJBE-QHCPKHFHSA-N 454.336 2.240 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CC[S@](=O)(=NC(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)C1 2255545368 PATTWVCQVLKJAB-JKGBWWFKSA-N 454.354 2.484 30 10 JEEE CCc1nn(C)c(C(=O)N2CC(NC(=O)OCc3ccccc3)C2)c1B1OC(C)(C)C(C)(C)O1 2255824923 QPOYNAUPGSQULY-UHFFFAOYSA-N 468.363 2.033 30 10 JEEE Cc1cc(C(=O)N(CCO)CCNC(=O)OC(C)(C)C)sc1B1OC(C)(C)C(C)(C)O1 2255874265 SRVZKWZIDSCGIT-UHFFFAOYSA-N 454.398 2.315 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1NS(=O)(=O)c1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2255934141 XXATYOGQGIPTOH-CABCVRRESA-N 456.345 2.069 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)cs1 2256618563 RGUZEQKWOGAXGP-GDBMZVCRSA-N 452.382 2.034 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)cs1 2256627078 RGUZEQKWOGAXGP-GDBMZVCRSA-N 452.382 2.034 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)cs1 2256627080 RGUZEQKWOGAXGP-ZBFHGGJFSA-N 452.382 2.034 30 10 JEEE CO[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)N(C(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267011043 ZQQJCLMIRIKEOZ-HOTGVXAUSA-N 450.341 2.333 30 10 JEEE CC(C)(C)OC(=O)N1CCS(=O)(=NC(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CC1 2267272133 XKQVTWUJUCNALT-UHFFFAOYSA-N 465.381 2.240 30 10 JEEE CC(C)(C)OC(=O)N1CC2(CC2)C[C@H]1CC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2268602095 GIGHLDQZAGPAIW-CYBMUJFWSA-N 464.397 2.377 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@@]2(C[C@@H]2C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2268705517 IHRARXISSYMGNC-LRTDBIEQSA-N 464.397 2.235 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@](O)(C(=O)NCc2sccc2B2OC(C)(C)C(C)(C)O2)C1 2268787120 SHSYZPODALFMMM-JOCHJYFZSA-N 466.409 2.426 30 10 JEEE Cc1c(C(=O)N[C@H](CNC(=O)OC(C)(C)C)C(F)(F)F)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281800580 KWODTBSYPDOXAC-GFCCVEGCSA-N 476.305 2.213 30 10 JEEE Cc1c(C(=O)N2C[C@@H]3CC[C@H](C2)N3C(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281805971 FVXXKZWQTVBEAR-IYBDPMFKSA-N 460.384 2.252 30 10 JEEE Cn1cc(C(=O)N2C[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]3C2)c(B2OC(C)(C)C(C)(C)O2)n1 2281961108 ITQMIEUIHVYBBS-CVEARBPZSA-N 460.384 2.048 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](NC(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)CCO1 2282060863 CKOHZNBHTIQPGS-JKSUJKDBSA-N 461.368 2.183 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@](CO)(NC(=O)c2cccc(F)c2B2OC(C)(C)C(C)(C)O2)C1 2282404456 IHBFQEJOZVIPNJ-HSZRJFAPSA-N 464.343 2.227 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@](O)(CNC(=O)c2cc(F)ccc2B2OC(C)(C)C(C)(C)O2)C1 2282406457 KPPNIFFTOBVZKZ-HSZRJFAPSA-N 464.343 2.227 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N(Cc2ccccc2)[C@H]2COC(C)(C)C2)n1 2282503988 IKGBMACHRUILCH-GOSISDBHSA-N 475.420 2.478 30 10 JEEE CC1(C)OB(c2sccc2CS(=O)(=O)NC[C@@H]2CCCCN2C(=O)C(F)(F)F)OC1(C)C 2282505692 HPDLKSQWQVEVDR-AWEZNQCLSA-N 496.382 2.410 30 10 JEEE CC1(C)OB(c2cnccc2C(=O)N2C[C@H]3CC[C@H]2[C@@H](NC(=O)C(F)(F)F)C3)OC1(C)C 2282521246 XVKQBVGICSILGG-RCBQFDQVSA-N 453.270 2.052 30 10 JEEE Cc1nn(C)c(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C23CC3)c1B1OC(C)(C)C(C)(C)O1 2282566333 XCFOLZAUNISPBK-OAHLLOKOSA-N 460.384 2.300 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CN(C(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)[C@]2(CCOC2)C1 2282617197 IKPIZNRQJCFXQK-JLCFBVMHSA-N 479.408 2.341 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@]2(C1)CN(C(=O)c1sncc1B1OC(C)(C)C(C)(C)O1)CCO2 2282621544 SYYRWSUMCRTFRW-QFIPXVFZSA-N 479.408 2.294 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(=O)O)N(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)C1 2282634262 KADIQQQGPQCMLN-KBPBESRZSA-N 464.324 2.161 30 10 JEEE CC(C)(C)OC(=O)N[C@@]1(CO)CCCN(C(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2282648736 RWVVMKGGTBMFRV-DEOSSOPVSA-N 460.380 2.478 30 10 JEEE CC(C)(C)OC(=O)N[C@]12C[C@@H]1CN(S(=O)(=O)c1ccc(F)cc1B1OC(C)(C)C(C)(C)O1)C2 2282846701 NGXHBXBYRXMOEZ-PEBXRYMYSA-N 482.383 2.413 30 10 JEEE CC(C)(C)OC(=O)N1CCCC[C@H]2[C@H]1[C@@H]2NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2283060583 JLRAKZPHYSCNRJ-INMHGKMJSA-N 458.368 2.294 30 10 JEEE CC1(C)OB(c2nccnc2C(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C(F)F)OC1(C)C 2283061158 LKAVYPSZNZRVIF-SJORKVTESA-N 458.318 2.271 30 10 JEEE CC1(C)OB(c2ccc(C(=O)NCCN(CC(=O)O)Cc3ccccc3)cc2F)OC1(C)C 2284335033 BZENPZMGPMFDBK-UHFFFAOYSA-N 456.323 2.442 30 10 JEEE Cn1nc(C(=O)N2C[C@@H]3C[C@@]3(CNC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2288261910 WSJLYQBPMXXWKN-WHEQGISXSA-N 480.802 2.360 30 10 JEEE Cc1nc(I)c(I)n1C[C@](N)(C#N)[C@H]1C[C@H]1C 2307812777 XKDIGVNTMZNIBM-CDOJRTKCSA-N 456.069 2.278 30 10 JEEE C=CCn1c(=O)c(N2CCC(NC(=O)N[C@H](C(=O)OC)c3ccccc3)CC2)nc2cccnc21 64579459 AOICUOLVGGFELN-FQEVSTJZSA-N 476.537 2.160 30 10 JEEE C=CCN(C(=O)Cn1c(=O)c2c(C(=O)N3CCCCC3)cc(C)nc2n(C)c1=O)c1ccccc1 64986484 DFOOXLYYHUOUJZ-UHFFFAOYSA-N 475.549 2.249 30 10 JEEE CCOC(=O)C1CCN(c2nc3c(c(=O)[nH]2)[C@@H](c2ccccc2OCC)[C@@H](C#N)C(=O)N3)CC1 72444576 CNLXTGIZKIVLTD-AEFFLSMTSA-N 465.510 2.172 30 10 JEEE O=C1C(=O)N(CCN2CCOCC2)[C@@H](c2ccc([N+](=O)[O-])cc2)/C1=C(/O)c1ccc(F)cc1 102500119 MBBBKEDCRNFLEG-LCPUNJGISA-N 455.442 2.488 30 10 JEEE C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1CNc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 204868891 RROVCIJUMMIXDQ-WBVHZDCISA-N 475.399 2.092 30 10 JEEE Cc1cc(C)nc(SC2=C(N3CCN(c4ncccn4)CC3)C(=O)N(c3ccc(C#N)cc3)C2=O)n1 526700563 FXHZWZRIXXVRKN-UHFFFAOYSA-N 498.572 2.454 30 10 JEEE C=CCn1nc(C)c(C=NNc2nc(SCC(=O)NCc3nnc(C(C)C)o3)n[nH]2)c1C 1083979430 WZWZQOQYZLKBOD-UHFFFAOYSA-N 458.552 2.165 30 10 JEEE C=C(C)C[C@H](NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1Br)C(=O)OCC 1194186820 LXPJHAYVINFELH-ZDUSSCGKSA-N 454.364 2.029 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2nncn2CC)c1 1286310492 ZEKNGALXZFHYJK-RUZDIDTESA-N 492.584 2.035 30 10 JEEE C#CCCCCn1c(-c2ccccn2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1286319680 QVIZSNKHLNVETF-QFIPXVFZSA-N 451.619 2.375 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CSCCS1)[C@@H]1CCS(=O)(=O)C1 1286387400 DBVIAZNJYITMBZ-RTBURBONSA-N 473.649 2.292 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CCCC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1286390459 AZLMGYAOXVGRJX-NRFANRHFSA-N 457.600 2.097 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1CC(=C)Br)[C@@H]1CCS(=O)(=O)C1 1286390803 FHAQCIPLFGDMPF-OAHLLOKOSA-N 455.403 2.466 30 10 JEEE C#CCN(c1nnc([C@@H]2COc3ccccc3O2)n1CCN(C)[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1286391193 CWYPSPNUITXVSF-IPJJNNNSSA-N 487.626 2.148 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCCCCC2)nc1 1286430216 FVYGPULAVSGXDO-JOCHJYFZSA-N 480.638 2.467 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3CC)n2C[C@H](C)CN2CCOCC2)CC1 1286484469 OTOSDXXFWUITHT-JOCHJYFZSA-N 466.630 2.143 30 10 JEEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](C(=O)OC)C1 1286500307 QMAORJLCRIZSKJ-KRWDZBQOSA-N 462.597 2.104 30 10 JEEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CCN(CC2CCOCC2)CC1 1286535721 FODMOJBHUOULCJ-UHFFFAOYSA-N 450.385 2.136 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1286538892 SZLBOYCDXIQRLI-ZWKOTPCHSA-N 481.439 2.214 30 10 JEEE C=C(Br)Cn1c(N2CCC[C@H](n3cncn3)C2)nnc1[C@]1(OCC)CCOC1 1286549103 SRLDGMUVWCLEGE-YJBOKZPZSA-N 452.357 2.272 30 10 JEEE C=C(C)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCN([C@H](C)C(=O)NCCCOC)CC1 1286592754 UGSPCAXTPHCUFO-DENIHFKCSA-N 484.601 2.030 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCOC)[C@@H]1CC[C@H](C)C1 1286628685 FBPLTTLBGGPENW-UAGQMJEPSA-N 462.016 2.005 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCOC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1286744708 KTWALGAEPVIRDM-HKUYNNGSSA-N 463.579 2.395 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1286815700 ZUGZPXNBQJXKIN-UHFFFAOYSA-N 488.577 2.011 30 10 JEEE CC(C)(O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1287098140 CVKZURKZCZCYPD-UHFFFAOYSA-N 495.628 2.024 30 10 JEEE CC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCN2S(C)(=O)=O)C[C@H](C)O1 1293637798 HLQLGRTVMZYAGR-SXLOBPIMSA-N 488.614 2.156 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OCCCC)c(OC)c2)n1CC(=O)N1CCOCC1 1300291187 RPIQWHBEIFEZRF-SFHVURJKSA-N 455.559 2.449 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCC[C@@H]1OC 1300539107 YHPRAEWMLKNEHO-AABGKKOBSA-N 457.575 2.474 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](C)Oc2cccc(C)c2)CC1 1300710766 KOMJZKPPFOZDMO-IBGZPJMESA-N 466.586 2.158 30 10 JEEE C#CCSCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1300743183 IKYLVOQKJGUDNG-UHFFFAOYSA-N 492.653 2.348 30 10 JEEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 1300823340 CXGJWLHKPIXNDV-UHFFFAOYSA-N 493.381 2.355 30 10 JEEE C=C(Br)Cn1c(-c2noc3c2COCC3)nnc1N1CCCN(CCC)C(=O)C1 1300843456 BPTNEIOIOZTSRM-UHFFFAOYSA-N 465.352 2.363 30 10 JEEE CO[C@@H]1COCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1300855410 FPBAIQIBSVFDRK-PWRODBHTSA-N 473.599 2.272 30 10 JEEE C=C(C)COCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1300994270 QMJCCLYVCAMURA-LJQANCHMSA-N 458.588 2.123 30 10 JEEE C=C(Cl)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1301013217 MXAKOUMJWHKEDJ-UHFFFAOYSA-N 492.367 2.135 30 10 JEEE C=CCNC(=O)Cn1c(N2CCN(CCOC)[C@@H](C)C2)nnc1C1(c2ccccc2)CCC1 1301520428 GSJSPGAZABOEHI-FQEVSTJZSA-N 452.603 2.207 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2nc(C(C)C)cs2)C1 1301557072 MHIAPJSCKUHJIE-AEFFLSMTSA-N 496.659 2.021 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N(C)[C@@H](C)c1ccc(F)c(F)c1 1301568453 SONRTWYAKHJXOP-AWEZNQCLSA-N 455.531 2.493 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](CC)c2ccccc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1301568459 GZWLBPQDVNDIRV-HXUWFJFHSA-N 482.610 2.077 30 10 JEEE CCN(CC)C(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@](C)(C(=O)NC)C1 1313635222 DCFQBWZDOPZBDX-DEOSSOPVSA-N 451.575 2.428 30 10 JEEE C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1353576952 GFVFGYVMDBMOAD-QGZVFWFLSA-N 455.536 2.041 30 10 JEEE C#CCCCCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1358915618 KAXVJCHPLADPBM-HXUWFJFHSA-N 499.015 2.202 30 10 JEEE C#CCN(c1nnc(CC)n1C[C@H](c1ccccc1Cl)N(C)C)[C@@H]1CCS(=O)(=O)C1 1358964191 VDWXDOZUHUAMDD-VQIMIIECSA-N 450.008 2.424 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCCCN1CC)[C@@H]1CCS(=O)(=O)C1 1358964608 CBVDOULULDNACS-VQTJNVASSA-N 476.672 2.135 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1358967021 BMTOJGVQGFIVNP-STSQHVNTSA-N 495.646 2.138 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1Cc1ncnn1C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1358967386 JLBBHCXYHARTOO-IBGZPJMESA-N 497.625 2.187 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@@H]1CCC[C@H](O)C1)[C@@H]1CCS(=O)(=O)C1 1358967888 VBBDEFUTSRGWCS-RLLQIKCJSA-N 476.574 2.174 30 10 JEEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cn2cc(Cl)cc(Cl)c2n1 1358999819 DUBDCFNTDUULMM-GFCCVEGCSA-N 470.386 2.351 30 10 JEEE C#CCSCCn1c(N2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)nnc1[C@]1(OCC)CCOC1 1359061680 JONKFYRSABADKJ-KKXYHZGYSA-N 450.605 2.069 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1359100391 AWTVGTUTFIIMOF-RBBKRZOGSA-N 474.631 2.011 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CCCCS1(=O)=O 1359257072 YHEAFJDCAMZEKG-WOJBJXKFSA-N 468.583 2.261 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1C[C@@H](C)O[C@H](c2ccsc2)C1 1359331364 WNRQGXZSOZBVSN-QAPCUYQASA-N 462.601 2.307 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N(C)Cc1cnn(C)c1 1359333484 ZDCVBUVTNWSFBW-UHFFFAOYSA-N 450.515 2.118 30 10 JEEE CC(C)C[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1)N(C)C 1359768866 GRQGAWQLPWGHBI-NHCUHLMSSA-N 452.607 2.352 30 10 JEEE C=CCNC(=O)CNC(=O)CCCc1nnc(-c2ccccc2I)o1 1466425707 ASXHKDBKCZFGBW-UHFFFAOYSA-N 454.268 2.082 30 10 JEEE Cc1nc(C#N)c(N2CCN(C(=O)CN[C@@H]3CCN(Cc4ccccc4)CC3(C)C)CC2)o1 1473415739 AOLXUMYAPDPUNG-JOCHJYFZSA-N 450.587 2.394 30 10 JEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCc1ccc(N2C(=O)N[C@](C)(C3CC3)C2=O)cc1 1478626610 UYPWBQYXDUHFQQ-XMMPIXPASA-N 454.527 2.398 30 10 JEEE CC[C@@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CC(C)(C)N1CCOCC1 1495722156 GMKZWLPEMREYPB-GOSISDBHSA-N 469.638 2.143 30 10 JEEE CCN(CC)C(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCOC[C@@H]2OC)CC1 1501789807 DMVJGTUICYUXHP-YADHBBJMSA-N 481.601 2.452 30 10 JEEE COc1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N2C[C@H](OC)[C@H](OC)C2)c(OC)n1 1504265236 FWFCCFZSEAARRS-KDURUIRLSA-N 450.499 2.127 30 10 JEEE CS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCCCCC2=O)C1 1505123534 ICQVHHBWJPCDHB-HXUWFJFHSA-N 470.599 2.233 30 10 JEEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1CC(F)(F)C1(OC)CCOCC1 1507687342 NLOCCWWZGDEYJT-UHFFFAOYSA-N 451.474 2.296 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@](C)(O)c2cc(C)oc2C)CC1 1507736724 QOHDOAJHVYQRLA-VWLOTQADSA-N 464.570 2.367 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1507799249 VQEBBRXWJPBQQG-NZQKXSOJSA-N 468.602 2.145 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC2CC2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1507804751 HTQNGVPRZQESPC-DYXWJJEUSA-N 451.637 2.320 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC(NC(=O)CCC)CC1 1507806928 OVKLPZXCADPIRE-JPYJTQIMSA-N 458.607 2.267 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](c2ccco2)N(CC)CC)CC1 1507883819 ADFTUMFPWOYDDR-FPOVZHCZSA-N 492.646 2.444 30 10 JEEE C=CCCOCCn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1507964416 FHYJPRXOQQLEKD-NRFANRHFSA-N 457.550 2.428 30 10 JEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1Cl)C1CC1 1507992464 DGDWFICYDAAMJN-GOSISDBHSA-N 451.980 2.468 30 10 JEEE C=CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)Cc1ncnn1CC(F)F 1508058418 VBYYWHJLFTWDSD-UHFFFAOYSA-N 455.473 2.354 30 10 JEEE C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 1508066816 GBKFLHYSMGQAMY-IPMKNSEASA-N 469.652 2.260 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(C(C)(C)C)CC1 1508091048 JYJREZCOZRHJNU-UHFFFAOYSA-N 451.575 2.342 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1508142691 UPZKYAJEGUEBMV-LJQANCHMSA-N 488.589 2.110 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(Br)cc2)nnc1N1CCO[C@@H](C)C1 1508142827 HEHBULXBCZKHCD-HNNXBMFYSA-N 485.404 2.446 30 10 JEEE C[C@H]1OCC[C@]1(O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC(C#N)CC1 1512573200 BTLNQMNCSQUVNI-QRQCRPRQSA-N 458.950 2.141 30 10 JEEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C[C@@H]2CCOC2)C1 1517624082 ARPVEGQXWYLUIB-OALUTQOASA-N 458.588 2.009 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCN(C)[C@@H](C)CC 1539268276 LNUFBRVUGIIUEH-VQTJNVASSA-N 458.607 2.390 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1Cc1ccccc1CN1CCCC1=O 1539416945 WAWAYLQQTXVYGJ-QFIPXVFZSA-N 451.571 2.429 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@](C)(O)CCC(C)C)CC1 1539459426 HBLXTJOACFAQRE-QHCPKHFHSA-N 458.632 2.212 30 10 JEEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](Cn2cccn2)C1 1539527115 UKWFXXWMJFGMNO-NRFANRHFSA-N 463.567 2.197 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1540873331 VDAUUJAREUWCAJ-UHFFFAOYSA-N 467.555 2.467 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N(C)Cc1ccccc1F 1540901764 ODYXMAFRGWDERM-UHFFFAOYSA-N 461.519 2.382 30 10 JEEE CC(=O)Nc1ccc(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCO[C@H](C#N)C2)cn1 1541016902 GAHXIDAJSZAOCK-QWFCFKBJSA-N 453.547 2.327 30 10 JEEE CC(C)Cc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1C[C@H]1CCS(=O)(=O)C1 1541465587 CNVUUQAWPGBMIC-JOCHJYFZSA-N 470.643 2.495 30 10 JEEE CCCNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1547236623 DBPZUXBOWHJSSS-KDURUIRLSA-N 453.591 2.278 30 10 JEEE C#CCn1cc(CNC(=O)c2cc(S(=O)(=O)N(CC)CC)ccc2Br)cn1 1568545923 HHFHNGCSOLAJMJ-UHFFFAOYSA-N 453.362 2.239 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2CCCN2CCOC2=O)c1 1587696839 BKYIJSVXIQKKFI-LJQANCHMSA-N 452.515 2.028 30 10 JEEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1587898528 QYSMDYSODAOQRI-FHWLQOOXSA-N 463.579 2.145 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1C[C@@]1(C)CCCO1)[C@H]1CCS(=O)(=O)C1 1588034051 APGDKQJCKRDWKK-OXJNMPFZSA-N 496.431 2.242 30 10 JEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 1588968703 PIJUUSWWPSDTRT-DLBZAZTESA-N 462.620 2.230 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1589505153 LFZUUYDQIDHGIG-WMQCIHAUSA-N 470.599 2.268 30 10 JEEE C=C(C)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1593660853 VIQLOKBNSOCYFM-NHCUHLMSSA-N 474.675 2.477 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCO[C@H](C)C1 1595261288 POYVNOZMFUVSCR-DYXWJJEUSA-N 493.630 2.254 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1595475122 ADMYZSQCJMOBTA-QFBILLFUSA-N 453.522 2.036 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1595517053 NPLLWUZHTLTDPC-BTYIYWSLSA-N 476.375 2.394 30 10 JEEE C#C[C@]1(O)CC[C@@H]2[C@H]3CCC4=C/C(=N/OCC(=O)N[C@@H](CC(N)=O)C(=O)O)CC[C@]4(C)[C@@H]3CC[C@@]21C 1614466804 DADOOOYPFQVZKE-OVZGOCDBSA-N 499.608 2.131 30 10 JEEE COc1ccc(C(=O)N[C@@H]2CO[C@@H]3[C@@H](Nc4nccc(-c5cccc(C#N)c5)n4)CO[C@@H]23)cc1 1616132192 KUWWLLKHXXGTOQ-WZYRSQIMSA-N 457.490 2.401 30 10 JEEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCCO[C@H](C)C2)C[C@@H]1C 1619937173 BWBBWVBNOYXTSL-FCHUYYIVSA-N 481.645 2.475 30 10 JEEE C[C@H](CC(=O)NC[C@@H](C)c1nc(-c2ccccc2)no1)/N=C1/NS(=O)(=O)c2ccccc21 1624262749 FFOZDCIBPCOUDV-HUUCEWRRSA-N 453.524 2.474 30 10 JEEE C=CCn1c(S)nc2cc(C(=O)NCCS(=O)(=O)CCc3ccccc3)ccc2c1=O 1626057384 VSJUUYDLOCCGEW-UHFFFAOYSA-N 457.577 2.259 30 10 JEEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(Cl)c(-n3nnnc3C3CC3)c2)c1 1628815522 UQZNYVYPVHYYTB-UHFFFAOYSA-N 456.915 2.357 30 10 JEEE C#CCC1(O)CCN(C(=O)[C@@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc(F)cc2)CC1 1644428802 KUWLFCXVGFULDK-QFIPXVFZSA-N 456.539 2.318 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1CC1(CC)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1689993442 DNVHPDZDHZOGIE-LJQANCHMSA-N 477.656 2.467 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccccc3C)n2CC[C@H](C(F)F)N2CCOCC2)CC1 1690119571 KJHYMXYLOUTPSE-OAQYLSRUSA-N 458.557 2.365 30 10 JEEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2CCC(=O)N2CCCCC2)CC1 1690126216 WANVSSLSGVOGID-UHFFFAOYSA-N 456.541 2.305 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@H]2CCN(CC)C2)CC1 1690152521 OBTMBEXXSAOGJK-NRFANRHFSA-N 464.614 2.473 30 10 JEEE C#CCSCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(S(C)(=O)=O)CC1 1690163967 XIXRJVSIYMGJBN-UHFFFAOYSA-N 457.984 2.186 30 10 JEEE C=C(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1690278974 ZOBAGOYOTOMYOO-UWJYYQICSA-N 453.547 2.418 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2cccc(C)c2)CC1 1690313457 UWIXJWWDTSWBLZ-QFIPXVFZSA-N 473.643 2.404 30 10 JEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2ccccc2)C1 1690485483 UUYIRSNYZUHKLI-UXHICEINSA-N 461.588 2.155 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cnn(C)c2)n1CC1(S(C)(=O)=O)CC1 1690560517 VQDHVMNMHAKXBL-UHFFFAOYSA-N 451.556 2.320 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[C@](F)(C#N)C1 1690665974 VOLFUBAXHQHGFF-IBGZPJMESA-N 463.311 2.460 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC(C)(C)N2CCOCC2)C1 1690687676 GZYCTRUJTRTMSK-HXUWFJFHSA-N 489.642 2.241 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1690721147 YWAOEBPYVMZQMT-UHFFFAOYSA-N 463.567 2.139 30 10 JEEE CCCC(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N(C)CC)CC1 1695022212 AIOLMBBSVIBPLQ-UHFFFAOYSA-N 467.574 2.092 30 10 JEEE CCCNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1695424172 CUFKFFDNYLJPKE-GOSISDBHSA-N 451.575 2.426 30 10 JEEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCCN2CC)C1 1695944863 BGGOSGFVDWNJPZ-NHCUHLMSSA-N 471.631 2.209 30 10 JEEE Cn1nccc1[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC(F)F)C1 1696884695 DYKVAFGAKRATOM-QGZVFWFLSA-N 484.511 2.228 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OCC)CCOC3)n2C[C@](C)(O)c2ccco2)c1 1705504391 VBPCVNKFPVXPTO-IZZNHLLZSA-N 493.564 2.487 30 10 JEEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1705514360 SUUQCHGMTMHUIV-UHFFFAOYSA-N 467.599 2.301 30 10 JEEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1CCN1CCOC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1705561700 SJZDNGTYBXIWJI-YMPZKCBVSA-N 485.654 2.167 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1Cc1cnccc1OC)[C@H]1CCS(=O)(=O)C1 1705562935 NCVLABWLAFKGPA-KRWDZBQOSA-N 472.958 2.072 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Cl)n1CCS(=O)(=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1705564442 OJHAEPLLPMJLGO-MRXNPFEDSA-N 499.058 2.439 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1c(F)cccc1OC(F)F)[C@H]1CCS(=O)(=O)C1 1705567021 SJXNMHNTUDWVFT-CABCVRRESA-N 484.500 2.198 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@H]2[C@@H](C)CCN2C(=O)OC(C)(C)C)CC1 1705634820 JYQFRFUMEYQIKD-PCCBWWKXSA-N 490.649 2.403 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2CCO[C@@H](C)C2)CC1 1705644876 DUKCJNCILUOTJH-DFIYOIEZSA-N 473.618 2.100 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCCOCC2CCOCC2)CC1 1705648703 WVXSYHFINYVJFY-QFIPXVFZSA-N 473.618 2.319 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(=O)NCC(F)(F)F 1705670049 GYJWXJXZVAXFQD-LJQANCHMSA-N 469.489 2.019 30 10 JEEE C=C(C)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(CCOC)C(=O)C1 1705724965 BZABOAMOOAVZMB-SFHVURJKSA-N 462.595 2.264 30 10 JEEE C=C(C)COCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(C(C)C)CC1 1705736446 SCHNIIDAIDOHFT-UHFFFAOYSA-N 461.636 2.361 30 10 JEEE C=C(C)COCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1705736710 AJXFFAHVHZDHCU-NQIIRXRSSA-N 491.614 2.149 30 10 JEEE C=C1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CCCN(CC)S(C)(=O)=O)CC1 1705767919 TZZCXJBZWBNBOF-UHFFFAOYSA-N 495.675 2.066 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(CCOCC)CC1 1705898124 BKGPWQJVBNWYFV-UHFFFAOYSA-N 450.946 2.198 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCC[C@H](C(=O)NC)C2)cc1 1705908617 FWCJQGYFHLHDGU-IBGZPJMESA-N 452.559 2.090 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](CC)c2ccccc2)nnc1N1CCN(C(=O)NCC)CC1 1705930497 OQCHVDOHKRBREK-HXUWFJFHSA-N 474.631 2.272 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CC(=O)N(C)CC 1708751268 DJVPMDTVRRBNIE-UHFFFAOYSA-N 484.580 2.012 30 10 JEEE CCO[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2Cc2cccc(N3CCOCC3)c2)CCOC1 1710422689 AODDJCSFVYKBNB-DVECYGJZSA-N 454.575 2.411 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCN(CCC)C2)c1 1722309018 IQYKBKYXUKXZEX-CTNGQTDRSA-N 463.586 2.017 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@](C)(O)c1cc(C)oc1C)[C@H]1CCS(=O)(=O)C1 1722364495 HOXGUPUSFOSGSV-RDPSFJRHSA-N 483.594 2.008 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@H]1CCCN(C(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1722367727 XJFDWBYWDULFBJ-PZJWPPBQSA-N 490.699 2.381 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCC(=O)NC1CCCCC1 1722375650 RJAVTDCCGJDCRT-UHFFFAOYSA-N 496.637 2.107 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ncccc1C 1722421783 ULTVLLSNXTZEPA-UHFFFAOYSA-N 468.583 2.033 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccccc2NC(=O)OC(C)(C)C)CC1 1722436730 LHIPIXHKAWHRJJ-FQEVSTJZSA-N 479.585 2.380 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3CC)n2CCN2CCOCC2(C)C)CC1 1722440665 DDAZQRNUCCEKHD-UHFFFAOYSA-N 466.630 2.286 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CSc3ccc(C)cc3)n2CCNC(=O)C2CC2)CC1 1722450482 KATDCHZGFHKRQS-UHFFFAOYSA-N 480.638 2.371 30 10 JEEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](CNC(=O)c2ccccc2)C1 1722542696 GDSCORWJSOIZNX-IAGOWNOFSA-N 481.022 2.287 30 10 JEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2cc(OC)c(OC)cc2CC1 1722629151 GHOPPNLDFNXIIJ-FQEVSTJZSA-N 490.626 2.395 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1722702719 QIECRUSKOANDFN-FQEVSTJZSA-N 454.575 2.081 30 10 JEEE CCC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CC(=O)N(CCOC)C2)CCO1 1727982357 GFATUSSBVDJTMY-PZJWPPBQSA-N 452.559 2.317 30 10 JEEE C#CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](NC(C)=O)C1 1740575115 QFRQNMUPNKBQTR-UXHICEINSA-N 474.606 2.495 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CCS(=O)(=O)CC2CC2)CC1 1740689941 FJZCUZSBLWAAHJ-QFIPXVFZSA-N 455.628 2.400 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2C[C@@H](C(CC)CC)N(C)C)CC1 1740692008 FTRLNBMQEJMDHO-QHCPKHFHSA-N 476.633 2.042 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H](c2ccc(F)cc2)N(C)C)CC1 1740698744 NCJHDUFCIVBZOE-NRFANRHFSA-N 495.628 2.467 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@@](C)(O)c2cc(C)oc2C)CC1 1740706934 JCBWFCPSTJDZHO-AREMUKBSSA-N 476.581 2.347 30 10 JEEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 1740742865 DNSPZSNTNVCNSV-QGZVFWFLSA-N 473.375 2.029 30 10 JEEE C=C(Cl)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1740804830 GCOCUJRBKFWDFK-HNNXBMFYSA-N 458.993 2.115 30 10 JEEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)N2CCCC2)CC1 1740858648 WSZBANFOEFRZJC-KRWDZBQOSA-N 452.625 2.083 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)O[C@@H](c2ccsc2)C1 1740985162 CUMHTICTWZADSB-DOTOQJQBSA-N 467.617 2.045 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(CCOC)C(=O)C1 1740988124 UHWQSCZLWLDBOM-UHFFFAOYSA-N 489.642 2.138 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@@H](C)CC1 1740990196 LUMSXUSYJNIBTD-QGZVFWFLSA-N 480.660 2.465 30 10 JEEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1741000586 TXNLYOJAPRDLHE-UHFFFAOYSA-N 454.560 2.350 30 10 JEEE C=CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1741003013 NSUHLGITYYJEEM-YJBOKZPZSA-N 450.586 2.333 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@](C)(O)c1ccc(F)cc1 1741918773 DANULIUUYHBLQX-BTYIYWSLSA-N 464.567 2.065 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@@]2(O)CCC[C@@H]2C)c1 1748690337 QQCAOWRHVWWQPJ-XDHUDOTRSA-N 452.559 2.024 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2C[C@@H]2CCCCS2(=O)=O)c1 1748692680 LEQWOANSDBEDJY-FPOVZHCZSA-N 485.610 2.196 30 10 JEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(c2nccc(OCC)n2)CC1 1748736345 ZDJUDAKSYXWGSP-UHFFFAOYSA-N 495.609 2.277 30 10 JEEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCC(NC(=O)c2cc(C)oc2C)CC1 1748757415 AJELIAQLBXUNNR-UHFFFAOYSA-N 452.559 2.423 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1Cc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1748802417 PPVRGDXGOMODLY-LJQANCHMSA-N 461.563 2.011 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@@H]1CCN(CCC)C1)[C@@H]1CCS(=O)(=O)C1 1748808301 JKXRMNNXMGHUJF-TZIWHRDSSA-N 471.627 2.312 30 10 JEEE C#CCN(c1nnc(-c2cc3c(s2)CCCCC3)n1CCC(=O)NC)[C@@H]1CCS(=O)(=O)C1 1748809846 WQOGFNQRHYJMPU-QGZVFWFLSA-N 475.640 2.038 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1CCOc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1748811762 KWPJRNKHGSKLMC-IBGZPJMESA-N 467.551 2.054 30 10 JEEE C#CCN(c1nnc(CCOc2ccccc2)n1C[C@@]1(C)CCCO1)[C@H]1CCS(=O)(=O)C1 1748820498 CRGNEBVFGNRZAC-WMZHIEFXSA-N 458.584 2.095 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1CC1(C)COC1)[C@@H]1CCS(=O)(=O)C1 1748824960 UWSSTAPXITZKRA-LJQANCHMSA-N 458.584 2.137 30 10 JEEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1CCNC(=O)c1cccc(OC)c1 1748900918 NDYUWLSFKBGBPE-UHFFFAOYSA-N 459.554 2.041 30 10 JEEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1749471113 JWXZASZOIFAOPG-AZUAARDMSA-N 493.655 2.175 30 10 JEEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCC[C@@H](O)C1 1749597770 MIQMMCMVQWNUMQ-ZWKOTPCHSA-N 452.559 2.382 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1749658902 XUSXFUZZRZJCOI-UONOGXRCSA-N 469.995 2.167 30 10 JEEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 1749672026 NXDILJXIGLONBF-UHFFFAOYSA-N 486.483 2.396 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 1749676375 OEHAFOAQAHIONO-IBGZPJMESA-N 469.590 2.307 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C[C@H]2CCCO2)CC1 1749686736 DYAWWGHWSVXUEV-OAQYLSRUSA-N 468.602 2.330 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 1749731493 FSDDHMYBOLMXKH-INIZCTEOSA-N 453.609 2.497 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC(CC(=O)NC2CCCC2)CC1 1749731521 GGCICIIOEXNDQP-HXUWFJFHSA-N 493.674 2.438 30 10 JEEE CC(C)OC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCS(=O)(=O)C2)CCO1 1751036677 BNESNOPPAYWGEU-TZIWHRDSSA-N 473.599 2.272 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCCN1CCN(CC)CC1 1760112585 JOSQIOITKDTTOL-JOCHJYFZSA-N 479.677 2.328 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC(C)(C)c1cccs1)[C@H]1CCS(=O)(=O)C1 1760179235 PDJVDNZRNSJFLJ-INIZCTEOSA-N 463.629 2.082 30 10 JEEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1760187572 KGTMNIYXHLHXGM-QAETUUGQSA-N 487.548 2.225 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCOCC(=C)C)[C@H]1CCS(=O)(=O)C1 1760193074 SIEPCDVBKDZGHN-XUVXKRRUSA-N 464.632 2.416 30 10 JEEE C#CCSCCn1c(-c2c[nH]c3ccccc23)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1760279455 DRRYNZXOSRSQKR-KRWDZBQOSA-N 453.593 2.420 30 10 JEEE C#CCSCCn1c(N2CC[C@H](C(=O)OC)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1760286768 VAAMGKLUHIYRPU-YESZJQIVSA-N 463.604 2.415 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1760318360 NAYBRMOSWJVEDS-ICSRJNTNSA-N 461.588 2.017 30 10 JEEE C=C(C)Cn1c(COc2ccccc2OC)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1760348459 UUMDHBGANXIANA-UHFFFAOYSA-N 488.570 2.082 30 10 JEEE C=CC1CCN(c2nnc(COc3ccccc3OC)n2CCNC(=O)c2cc[nH]n2)CC1 1760406242 XTLWMJMXAZXFLY-UHFFFAOYSA-N 451.531 2.421 30 10 JEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1scnc1C 1760427988 MUDIPAWAIDLCJF-INIZCTEOSA-N 454.622 2.369 30 10 JEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2C)CC1 1760450276 HWYKTPWXHRMLFH-FQEVSTJZSA-N 459.616 2.408 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCCOCC1 1760517981 DGVAYZFTJPYRTK-UHFFFAOYSA-N 450.337 2.245 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](C)CNC(=O)OC(C)(C)C)C1 1760534325 VWNSLWOQSOXNAM-DLBZAZTESA-N 450.584 2.358 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H](COC(C)C)C1 1760553004 IZBQXPGBGXXCSE-QGZVFWFLSA-N 469.995 2.225 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCC[C@H](Oc2ncccc2F)C1 1760556336 AHKJKUFKYICQNI-IBGZPJMESA-N 486.573 2.447 30 10 JEEE CCS(=O)(=O)NCCn1c(-c2cccc(C)n2)nnc1N1CCCN(c2ccccc2C#N)CC1 1766726319 BIAGTEPTEANJAM-UHFFFAOYSA-N 494.625 2.176 30 10 JEEE CCn1cccc(Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CCO[C@H](C#N)C2)c1=O 1766970691 CBYLMNFRBYRPHD-MOPGFXCFSA-N 483.573 2.309 30 10 JEEE CCn1nc(-c2nnc(N(CCC#N)CC3CC3)n2CC(=O)NC(C)C)c2ccccc2c1=O 1767161201 HCDVGOHUNQPOGG-UHFFFAOYSA-N 462.558 2.330 30 10 JEEE CCOC1CC(O)(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)Cc2cnn(C)c2)C1 1767697646 HPCRMKONOIXKAX-UHFFFAOYSA-N 451.531 2.029 30 10 JEEE COc1ncccc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1769014014 FJWHHKFSXLIYDH-SFHVURJKSA-N 481.582 2.034 30 10 JEEE C=CCN1C(=O)C(=c2sc3nc(-c4cccnc4)nn3c2=O)c2cc(Br)ccc21 1772719470 XRPOWXHLCSSMEK-UHFFFAOYSA-N 466.320 2.426 30 10 JEEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@@H]2c2ccc(OC)c(OC)c2)c1 1862706691 CHRKREVOAWAPKK-OAQYLSRUSA-N 454.479 2.427 30 10 JEEE CCCC[C@H](NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(=O)N1CCC(C(N)=O)CC1 1868794254 ALMHWCSLOBUITR-VQTJNVASSA-N 473.643 2.424 30 10 JEEE CN1C(=O)c2ccc(NC(=O)[C@@H](Cc3ccccc3)N=C3NS(=O)(=O)c4ccccc43)cc2C1=O 1869934896 VKXTZMBBPZORLM-HXUWFJFHSA-N 488.525 2.201 30 10 JEEE Cc1nc(SCc2cc(=O)c(OCCCO)cn2CCN2CCOCC2)c(C#N)c(C)c1C 1870236523 LFEJMHDNDWPHFS-UHFFFAOYSA-N 472.611 2.426 30 10 JEEE N#Cc1ccc(CN2CCC(NC(=O)CCN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)CC2)cc1 1873724711 WMBSTGIOQAQVPG-UHFFFAOYSA-N 461.478 2.233 30 10 JEEE CC(=O)NCc1nnc(SCC(=O)Nc2nccs2)n1/N=C/c1ccc(F)cc1F 1874433270 IAUGGDWBOVLPMV-QPJQQBGISA-N 451.484 2.262 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)NCCc2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2180963162 XAPIBGRTXZCLGP-LJQANCHMSA-N 460.380 2.280 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N[C@H]2[C@@H](OCC)C[C@H]2NC(=O)OC(C)(C)C)C1 2255160691 SHKIXLKPGWSHPH-DSUJRMEUSA-N 451.564 2.480 30 10 JEEE CC(C)(C)OC(=O)N[C@@]12C[C@H]1CN(S(=O)(=O)c1ccc(B3OC(C)(C)C(C)(C)O3)s1)C2 2255751181 WLDWJEFTRPIZAI-RNODOKPDSA-N 470.422 2.335 30 10 JEEE CC1(C)OB(c2cncc(S(=O)(=O)N[C@H]3CC[C@@H]3NC(=O)OCc3ccccc3)c2)OC1(C)C 2255753813 WFZMHOPKWWFPKQ-PMACEKPBSA-N 487.387 2.117 30 10 JEEE CC(C)(C)OC(=O)N1CCCC[C@@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2256620934 OLNAAPPTLIUMCB-CYBMUJFWSA-N 452.386 2.235 30 10 JEEE CN(Cc1sccc1B1OC(C)(C)C(C)(C)O1)C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C 2256675070 NYCQLQVHJYYSBS-OAHLLOKOSA-N 454.398 2.281 30 10 JEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)o1 2267290458 CZOPFOZSRRTZPC-GOEBONIOSA-N 450.341 2.333 30 10 JEEE COC[C@H](ONC(=O)OC(C)(C)C)C(=O)NCc1sc(C)cc1B1OC(C)(C)C(C)(C)O1 2268632096 GKJRKQPVROQKSH-HNNXBMFYSA-N 470.397 2.443 30 10 JEEE CO[C@H]1C[C@H](C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)N(C(=O)OC(C)(C)C)C1 2268652890 JHFYFLZECITPER-DZGCQCFKSA-N 467.397 2.083 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](CC(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C(C)(C)C1 2268716442 UYQLVPSVYDFSMR-CYBMUJFWSA-N 466.413 2.481 30 10 JEEE CC(C)(C)OC(=O)NC1CC(O)(C(=O)Nc2ccc(F)c(B3OC(C)(C)C(C)(C)O3)c2)C1 2268724590 MUUPGXRVRFGXLY-UHFFFAOYSA-N 450.316 2.482 30 10 JEEE CC(C)(C)OC(=O)NCc1nnc2n1CCN(c1cccc(B3OC(C)(C)C(C)(C)O3)n1)C2 2281490161 ZJZZMBQYEKOIOB-UHFFFAOYSA-N 456.356 2.017 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2c(F)cccc2B2OC(C)(C)C(C)(C)O2)C[C@@H](O)C1 2281779784 MQVOSUKMQUDYQI-OAHLLOKOSA-N 464.343 2.179 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)C2(B3OC(C)(C)C(C)(C)O3)CCC2)[C@H]2CS(=O)(=O)C[C@@H]21 2281801074 PZARFJDFXPIZDU-HOTGVXAUSA-N 484.424 2.248 30 10 JEEE Cn1ncc(C(=O)NC2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)c1B1OC(C)(C)C(C)(C)O1 2281828367 JNJIAXZEFKKNOC-GJZGRUSLSA-N 460.384 2.095 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2CN(C(=O)c3ncc(B4OC(C)(C)C(C)(C)O4)cn3)C[C@@]2(C)C1 2282030089 AGOPJRHSRLWDOH-CMJOXMDJSA-N 458.368 2.105 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2CN(C(=O)OCc3ccccc3)CCO2)n1 2282039275 SKGRXAWACDCOCB-HXUWFJFHSA-N 495.385 2.457 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2C[C@H](NC(=O)OC(C)(C)C)C23CCC3)n1 2282051155 RQNKCHKGORSGMS-HOTGVXAUSA-N 460.384 2.285 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC2(CN(C(=O)OC(C)(C)C)C2)C1 2282053132 SNRZAOGIGAQCRS-UHFFFAOYSA-N 460.384 2.285 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)CC12CC2 2282179295 SPIZZMCDJBRQKM-HNNXBMFYSA-N 458.368 2.438 30 10 JEEE CC(C)(C)OC(=O)N1CC(CO)(CNC(=O)c2cc(F)ccc2B2OC(C)(C)C(C)(C)O2)C1 2282394961 FUWRNVXIUGGDMA-UHFFFAOYSA-N 464.343 2.084 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1N(C(=O)OC(C)(C)C)CCC1(C)C 2282483673 BCHDKCOBSNTEEI-MRXNPFEDSA-N 462.400 2.485 30 10 JEEE CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H]2CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2282576128 MTLIAXYDCBDFGS-HNNXBMFYSA-N 460.384 2.476 30 10 JEEE Cn1cc(C(=O)N2CC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2282577171 AZDXUJRIQLRCGF-HSZRJFAPSA-N 460.384 2.192 30 10 JEEE Cn1nc(C(=O)N2[C@H]3CC[C@H]2[C@@H](CNC(=O)OC(C)(C)C)C3)cc1B1OC(C)(C)C(C)(C)O1 2282620732 JCGZYPVPRGNFMB-VYDXJSESSA-N 460.384 2.237 30 10 JEEE CC1(C)OB([C@H]2C[C@@H](C(=O)N3CC(O)(C4CCN(C(=O)C(F)(F)F)CC4)C3)C2)OC1(C)C 2282640752 RJQDWOSIGNRTKW-OTVXOJSOSA-N 460.302 2.233 30 10 JEEE CC(C)(C)OC(=O)N1CCC(C(=O)O)(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)s2)CC1 2283982311 WBSBCQSUPOKEDW-UHFFFAOYSA-N 481.380 2.483 30 10 JEEE CC(C)(C)OC(=O)NCC12CC(C(=O)Nc3ccnc(B4OC(C)(C)C(C)(C)O4)c3)(CO1)C2 2284016217 YDLPLCXFARHNES-UHFFFAOYSA-N 459.352 2.393 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](C(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)cs1)[C@H](O)C(F)(F)F 2284129237 MHCXZNVKWMIPPT-KGLIPLIRSA-N 494.341 2.480 30 10 JEEE COc1ccc(N2C[C@H](c3nnc(SCCO)n3N=Cc3ccc(O)c(O)c3)CC2=O)cc1 2325882466 ZMFPIOIRKCPCGQ-OAHLLOKOSA-N 469.523 2.185 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CC12CCN(C(=O)OC(C)(C)C)CC2 2362344791 WSKFMCPAEWICBF-OAHLLOKOSA-N 460.384 2.239 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2CCC[C@@]2(NC(=O)OC(C)(C)C)C1 2362345109 ABVKVUREWTYKBE-NPMXOYFQSA-N 460.384 2.239 30 10 JEEE C=CCOc1ccc(/C=c2/sc3nc(=O)c(Cc4ccc(OC)c(OC)c4)nn3c2=O)cc1 23053753 DLOYHOVNBWWKSZ-KGENOOAVSA-N 463.515 2.232 30 10 JEEE C/C(=N/Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])c1ccc(OCC(=O)N2CCCC2)cc1 33496970 NMOOVMQTYXWLDZ-HMAPJEAMSA-N 461.500 2.080 30 10 JEEE Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1 105674914 HALDXCQSENRACI-NRFANRHFSA-N 455.584 2.304 30 10 JEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C(=O)Nc2cc(C(F)(F)F)ccc2F)CC1 582137234 BXTMBPJXIMBWIO-UHFFFAOYSA-N 484.431 2.188 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)OCC(=O)c2ccc3c(c2)NC(=O)[C@@H](C)O3)ccc1F 728093432 RAVBMIGNHJSNST-GFCCVEGCSA-N 462.455 2.049 30 10 JEEE C=CCn1c(=C(C#N)C(=O)Nc2ccccc2OCC)sc(=Cc2cnn(-c3ccccc3)n2)c1=O 837286214 UPBUAFZEEVKNCT-UHFFFAOYSA-N 498.568 2.217 30 10 JEEE COc1ccc(Br)cc1C=NNc1nnc(SCC(=O)NCc2ccco2)n1N 1084149835 FAZIDOBKPGPEGB-UHFFFAOYSA-N 480.348 2.211 30 10 JEEE CC(=NNc1nc(SCCC(=O)Nc2ccc(S(N)(=O)=O)cc2)n[nH]1)c1ccccc1 1084400669 VRWGUUQKIDIUJD-UHFFFAOYSA-N 459.557 2.409 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3csc(N4CCOCC4)n3)n2CCCOC)c1 1286309031 GKFWIOQBWKTYHR-UHFFFAOYSA-N 495.609 2.331 30 10 JEEE C#CCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1286347171 JIQKIBGTTXPIQR-UHFFFAOYSA-N 453.572 2.016 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](c2ccccc2OC)C1 1286349561 JYJRAKRAAIQYDW-NQIIRXRSSA-N 473.599 2.027 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1CC1(SC)CCOCC1)[C@H]1CCS(=O)(=O)C1 1286393279 QLUWAPVUSXESST-SFHVURJKSA-N 495.696 2.173 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCO[C@@H]1CCOC1 1286420233 AMPWEPNMRUXMRJ-HXUWFJFHSA-N 456.568 2.007 30 10 JEEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(N2CCOC2=O)cc1 1286423009 PJIQATKNOYSCPP-VWLOTQADSA-N 463.538 2.398 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCCN2CCCCC2=O)CC1 1286474031 XJQGGKUYOUVLJK-UHFFFAOYSA-N 466.586 2.120 30 10 JEEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 1286592591 MHYRAMXTRWWOGY-IRXDYDNUSA-N 453.609 2.497 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1286798890 MXUAPFYTBCFCEA-HKUYNNGSSA-N 489.598 2.070 30 10 JEEE C=CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(CCOC)C(=O)C1 1286832025 OAJJLXHXOOHRFW-IBGZPJMESA-N 459.572 2.005 30 10 JEEE CC(C)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCOCC2)[C@H](C)C1=O 1287750579 AIAXEGJRKDWPMX-HXUWFJFHSA-N 465.602 2.232 30 10 JEEE C=CCn1c(SCC(=O)N2CCC[C@@H](S(N)(=O)=O)C2)nnc1-c1ccc(Cl)cc1 1295134685 VJBSJEZQVYECSU-OAHLLOKOSA-N 455.993 2.156 30 10 JEEE CCN(CC)C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1295505634 GRSPNQOAGCJAHG-LEWJYISDSA-N 485.658 2.266 30 10 JEEE CCOC[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2CCS(=O)(=O)CC2)C1 1297418680 DFXCSADSMUWBJM-HXUWFJFHSA-N 473.599 2.416 30 10 JEEE C#CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCc2nn(C)c(=O)cc2C1 1300344422 BWUZKLCAMMETNZ-UHFFFAOYSA-N 456.348 2.496 30 10 JEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](F)[C@@H](c2ccccc2)C1 1300365154 QLCVTPCFYVFZLW-NJDAHSKKSA-N 475.590 2.356 30 10 JEEE C#CCN(c1nnc(C2(c3ccccc3)CCC2)n1C[C@H](COC)OC)[C@H]1CCS(=O)(=O)C1 1300484141 RJYKTCSSSATZBZ-LEWJYISDSA-N 472.611 2.036 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1C[C@H](C(C)C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1300489170 JVVQLGSGCZYWFA-BJKOFHAPSA-N 499.681 2.491 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@H]1CCCCN1CCC)[C@H]1CCS(=O)(=O)C1 1300500775 DAISTKALOHDGCS-YADHBBJMSA-N 470.643 2.155 30 10 JEEE C#CCN(c1nnc(CSc2ccc(Cl)cc2)n1CC1(O)CC1)[C@@H]1CCS(=O)(=O)C1 1300504000 HYHADPQEMANFFN-MRXNPFEDSA-N 467.016 2.375 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@H]1CCCN1CC)[C@@H]1CCS(=O)(=O)C1 1300504749 RLJFMJRPUNZTGI-NHCUHLMSSA-N 471.627 2.277 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2F)C[C@@H]1C 1300764470 WMIVQWKJCZCPCM-ROUUACIJSA-N 477.631 2.401 30 10 JEEE C=C(C)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1300950564 GMOUOKMSFFGNIN-ZWKOTPCHSA-N 482.651 2.487 30 10 JEEE C=CC[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)NCC)CC1)c1ccccc1 1301162879 FAHJUAVNVDDREU-JOCHJYFZSA-N 479.629 2.132 30 10 JEEE C=CC[C@@H](Cn1c(-c2cnccn2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1)c1ccccc1 1301165522 HRWZRMMVEJVSGA-NRFANRHFSA-N 488.596 2.268 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CC(C)(C)OC[C@@H]1C 1301497153 PUXJIFBBLLBIIA-KRWDZBQOSA-N 479.585 2.371 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCCN2CCC(C)CC2)C1 1301557169 NDBLTBFFXWTXQG-LEWJYISDSA-N 465.664 2.474 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCCN(C(=O)C2CC2)CC1 1301576374 CZXSYQMJUWVSEX-UHFFFAOYSA-N 473.599 2.003 30 10 JEEE CC(=O)N1CCN([C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCOC(C)C)C[C@H]2C)CC1 1301763816 HWLVKYIMSYYQDM-XXBNENTESA-N 465.602 2.231 30 10 JEEE C=CC[S@@](=O)(=NC(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2)c1ccccc1 1304737626 PLLBAYINKNLRBP-LJAQVGFWSA-N 450.538 2.366 30 10 JEEE CCS(=O)(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1CCC(=O)N1CCCCC1 1314522227 GCWODLVBSMVLPW-UHFFFAOYSA-N 458.588 2.090 30 10 JEEE COCCN(CCC#N)c1nnc(-c2cc(F)ccc2Br)n1Cc1ncn(C)n1 1316099432 BCEZIIYJSZHBAV-UHFFFAOYSA-N 463.315 2.390 30 10 JEEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCC(C#N)CC3)n2CCc2ccc(F)cc2Cl)C1 1316353345 BZLCJIHKLLROQU-IBGZPJMESA-N 496.996 2.386 30 10 JEEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(=O)C(C)C)CC1 1358906699 PSMBGDANKMQYFX-UHFFFAOYSA-N 457.600 2.457 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1CCN1CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1358966894 ZDEIZDWTZXFIBI-FYYLOGMGSA-N 469.655 2.422 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1cc(Br)ccc1OC 1358967554 MYGQBCZILQIUSV-UHFFFAOYSA-N 456.344 2.406 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCCN1CCCO 1358983543 MFXSJARTVSZIJO-SFTDATJTSA-N 470.618 2.270 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2cccc(OC)c2OC)CC1 1359028043 FNZHHLQFKGPPML-UHFFFAOYSA-N 454.575 2.017 30 10 JEEE C=C(Cl)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(c2cccnn2)CC1 1359144939 ZFNPCOGKIJDDIO-UHFFFAOYSA-N 459.963 2.218 30 10 JEEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(Cc2cc(C)no2)CC1 1359284401 LZYYPGBYSIFCCE-UHFFFAOYSA-N 471.587 2.000 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1359296006 UELGKEYDRGNUIY-QGZVFWFLSA-N 457.966 2.038 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1359302484 IXSFKUWAPQVDPO-UHFFFAOYSA-N 476.972 2.418 30 10 JEEE C=CCNC(=O)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCN(CC(F)(F)F)CC1 1359303369 LTPUNNTWIIDWEF-UHFFFAOYSA-N 461.492 2.337 30 10 JEEE CC(=O)N(C)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCn2cccn2)CC1 1359354185 CEVPGHMDJNKXRV-UHFFFAOYSA-N 462.558 2.463 30 10 JEEE CC(=O)N1CCC[C@H](Cn2c(CC(C)C)nnc2N2CCN(c3cc(C#N)ccn3)CC2)C1 1359371135 FGPGFSRPIJREKJ-NRFANRHFSA-N 450.591 2.328 30 10 JEEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](CC(C)C)N(C)C)CC1 1359396516 CXJTYCFQFIUFLB-OAQYLSRUSA-N 453.591 2.374 30 10 JEEE CC(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C(N)=O)CC1 1359759440 HZPLYUPTQPBCRV-UGKGYDQZSA-N 452.559 2.492 30 10 JEEE C=CCN1C(=O)C(=O)N(CC(=O)N(Cc2ccc(N(C)C)cc2)c2ccc(OC)cc2)C1=O 1443631682 GBWCONSCZSEYRV-UHFFFAOYSA-N 450.495 2.271 30 10 JEEE C#CC(C)(C)NC(=O)c1n[nH]c(C2CN(C(=O)OC(C)(C)C)C2)c1I 1444084281 DSZPIRRQIZSSDN-UHFFFAOYSA-N 458.300 2.490 30 10 JEEE Cc1nn(C)c(N2CCN(c3nnc(C(=O)NC(C)C)n3Cc3ccc(Cl)cc3)CC2)c1C#N 1492727065 GSVIBWZRYZSPMC-UHFFFAOYSA-N 481.992 2.358 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CCN2CCC[C@@H]2C)c1 1507547439 LFLUDXDJUVDFRP-IBGZPJMESA-N 463.586 2.055 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2CCCC(=O)N(C)C)c1 1507551702 GQOZMZLLHRWPGG-UHFFFAOYSA-N 459.554 2.189 30 10 JEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(Cn2cncn2)CC1 1507577928 SVKNXCKAKBPUTB-UHFFFAOYSA-N 482.614 2.117 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H](C)N(C)C1CC1)[C@H]1CCS(=O)(=O)C1 1507625155 HJWJQWGMJGVFNT-PXNSSMCTSA-N 487.626 2.072 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@]1(C)CCCO1)[C@@H]1CCS(=O)(=O)C1 1507640826 WPORUVGBLFCXNS-XXBNENTESA-N 458.584 2.361 30 10 JEEE C#CCN(CC#CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1cc(C)on1 1507672626 DQEWTTHBNLKZMN-UHFFFAOYSA-N 457.582 2.450 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(F)ccc2Br)n1CC(=O)NC(C)C 1507705780 GNBYVVSVGPFDGJ-UHFFFAOYSA-N 452.328 2.457 30 10 JEEE C=C(C)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1507828141 URWCZVIQVHTRGY-QGZVFWFLSA-N 461.588 2.400 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@H](CC)C1 1508074680 SMJWOFPQWYWRDH-QGZVFWFLSA-N 460.604 2.124 30 10 JEEE C=CCOc1ccc(Cn2c(Cc3ccncc3)nnc2N2CCCN(S(C)(=O)=O)CC2)cc1 1508104606 MCESPDJNYSLVJX-UHFFFAOYSA-N 482.610 2.349 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@@](C)(O)c1cccs1 1510153920 FCLZRSCZTHHJMG-QVKFZJNVSA-N 474.612 2.366 30 10 JEEE CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](c2ccsc2)N(C)C)CC1 1515993368 BQRQOQDAPKERPV-JOCHJYFZSA-N 492.653 2.439 30 10 JEEE COCCC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCCN(S(C)(=O)=O)CC2)CC1 1518989996 CIIAPUYKAIHKSS-UHFFFAOYSA-N 488.614 2.017 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ccc(S(C)(=O)=O)cc1 1539016758 ZKSAQOSTMLHCQM-SFHVURJKSA-N 479.610 2.362 30 10 JEEE C#CCCCn1c(N2CC[C@H](C(=O)NCC(F)(F)F)C2)nnc1[C@]1(OC(C)C)CCOC1 1539140785 QWQHLKYKGUDOBG-JXFKEZNVSA-N 457.497 2.237 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@H](C)SC)[C@H]1CCS(=O)(=O)C1 1539212551 QKLHPQIIIDOWRP-HOTGVXAUSA-N 464.613 2.341 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccc(CN(CC)CC)cc1)[C@H]1CCS(=O)(=O)C1 1539215724 HXHCLQLVORPYCE-QHCPKHFHSA-N 495.653 2.195 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1cccc(C(C)(C)O)c1)[C@H]1CCS(=O)(=O)C1 1539224850 IZVXCHIDHYSKJR-QFIPXVFZSA-N 479.606 2.166 30 10 JEEE C#CCSCCn1c(COc2cccc(C)c2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1539526004 HUXWPYKSYXGUTR-UHFFFAOYSA-N 477.656 2.392 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1539622865 YHFATFQNCCXKEQ-XJABCFGWSA-N 487.626 2.387 30 10 JEEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)c2c(F)cccc2F)CC1 1540021068 ZZYBUPLOGSDGLG-UHFFFAOYSA-N 488.539 2.347 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCC(O)(c2ccccc2)CC1 1540904264 LBYQEIQXEJUVDY-UHFFFAOYSA-N 467.595 2.353 30 10 JEEE CCCNC(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@](C)(C#N)C1 1547236870 AKGAZMPHESVXPL-JOCHJYFZSA-N 458.588 2.395 30 10 JEEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccnc(SC)c2)C1 1547780256 HQFRCLCFWXOJFJ-LJQANCHMSA-N 483.623 2.500 30 10 JEEE N#Cc1ccc(OCc2nnc(N3CC[C@]4(CCOC4)C3)n2CC(=O)NCC(F)(F)F)cc1 1555990347 BYRMKUTVULWJAF-FQEVSTJZSA-N 464.448 2.024 30 10 JEEE Cn1ncnc1COc1ccc(S(=O)(=O)N2CCC(Oc3cccc(C#N)c3)CC2)cc1 1561234742 DRGJNZSPJLZMLI-UHFFFAOYSA-N 453.524 2.498 30 10 JEEE N#Cc1ccc(F)c(CS(=O)(=O)N2CCNC(=O)[C@H]2c2cccc(Br)c2)c1 1561384160 GSWPRIBJBAOULX-QGZVFWFLSA-N 452.305 2.463 30 10 JEEE C#CCOc1ccccc1NC(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 1562639962 WHMIDPNGFWBNSW-UHFFFAOYSA-N 458.496 2.364 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)(C)C)n2Cc2cn(C3COC3)nn2)c1 1587693006 OFTDGOAMKIQUDA-UHFFFAOYSA-N 462.558 2.134 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1cc(OC)ccc1OC)[C@H]1CCS(=O)(=O)C1 1588049566 IKHSCWDGWNOFKL-IBGZPJMESA-N 481.578 2.341 30 10 JEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccccc1C1OCCO1 1588158524 FTDZIPZFRQZRMN-UHFFFAOYSA-N 461.547 2.436 30 10 JEEE C#CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1CCC[C@H]1OC 1588581116 HDTSAILMBHSONC-RTBURBONSA-N 474.631 2.448 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OC)n2C[C@H]2CCC[C@H](O)C2)CC1 1588968370 KEWMDQUWGWFQFT-FPOVZHCZSA-N 481.597 2.383 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCC2(CCOCC2)C1 1589494169 KMKBWLURMGBLOM-OTWHNJEPSA-N 467.636 2.267 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccccc2C)nnc1N1CCN(CC(=O)N(C)C)CC1 1589556453 CISAIVPJYUQNMB-WIOPSUGQSA-N 466.630 2.369 30 10 JEEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1ccco1 1593746417 DSFFHAMQQDYTJF-HKUYNNGSSA-N 465.576 2.138 30 10 JEEE C=CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1595849723 FHURQZUDOFMLOO-UHFFFAOYSA-N 499.597 2.044 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H](C)c2ccc(OCC(=O)OC)cc2)ccc1F 1611207796 MKXCVNNBFIDARH-CQSZACIVSA-N 450.488 2.333 30 10 JEEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CC(C)(C)CN1CCOCC1 1614978160 BYVQYNSYDDDROY-UHFFFAOYSA-N 453.591 2.138 30 10 JEEE COCCN1C(=O)c2ccc(C(=O)N3CCC[C@@H]3[C@@H](C#N)c3ccccc3)cc2S1(=O)=O 1618313109 GJRFYTBLELPNJM-VQTJNVASSA-N 453.520 2.389 30 10 JEEE C=CCn1nc(C)c(-c2cc(C(=O)NCC3CCN(S(=O)(=O)C(F)F)CC3)n[nH]2)c1C 1633745561 VOWHKGJSLZVGBL-UHFFFAOYSA-N 456.519 2.070 30 10 JEEE C#CCn1ccc(CN(CCOC)C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)n1 1634600786 AIKAWBATWQUOGS-IQJRZOLZSA-N 455.559 2.278 30 10 JEEE C#CCNS(=O)(=O)N1CCN(C(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)CC1 1644281567 GPHCTWUPNURIND-UHFFFAOYSA-N 457.339 2.182 30 10 JEEE N#Cc1ccc(S(=O)(=O)NCCc2ccc(S(=O)(=O)N3CCCCC3)s2)c(F)c1 1660483853 AYRURADEBSZGMW-UHFFFAOYSA-N 457.574 2.454 30 10 JEEE CCN(C[C@H](C)C#N)S(=O)(=O)N1CCN(C(=O)[C@@H](C)Oc2ccc(C)cc2Cl)CC1 1661763834 CVXMFLXIYINXQA-IAGOWNOFSA-N 456.996 2.286 30 10 JEEE C=CCNC(=O)CNC(=O)Nc1cccc(-c2c(C(=O)OC)c(C(=O)OC)c3n2CCC3)c1 1668169063 GKIXSYBDEJKADM-UHFFFAOYSA-N 454.483 2.098 30 10 JEEE C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CC(=O)N(CCOc3ccccc3)C2)cc1 1670762266 DFDXWOPRMAGNAC-WMZOPIPTSA-N 456.524 2.174 30 10 JEEE Cc1nn(C)c(N2CCN(C(=O)NCc3ccc(NC(=O)c4cccnc4)cc3)CC2)c1C#N 1678122158 ASZUYALRAIQUJZ-UHFFFAOYSA-N 458.526 2.279 30 10 JEEE C=CC[C@H](CC)NC(=O)N1CCN(S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)CC1 1681883705 ZIMZODIZCVRFGJ-ZDUSSCGKSA-N 456.952 2.042 30 10 JEEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1689901915 RZRLFQIKWNMGNZ-FQEVSTJZSA-N 458.574 2.320 30 10 JEEE C#CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCS(=O)(=O)CC1CC1 1689964762 WRDYRLLDKKAOMY-UHFFFAOYSA-N 465.620 2.287 30 10 JEEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CCc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1689982068 HHKSHEALKHFPIP-HYBUGGRVSA-N 490.601 2.327 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@@H]1CCOC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1689982096 HQUFMSPIWXKUEA-YZGWKJHDSA-N 458.584 2.253 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](CC)c3ccccc3)n2CCCn2ccnn2)CC1 1690138308 YGMGBRAQAJHFEU-JOCHJYFZSA-N 460.586 2.468 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(Cc2csc(C)n2)n1CCS(=O)(=O)N1CCSCC1 1690209138 LNXXNQDTEJDEFQ-HXUWFJFHSA-N 480.685 2.005 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOC)[C@H](CCC)C1 1690245561 JWRGKOAZKDXUOU-MBDNFAEBSA-N 495.690 2.099 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCC(CC(=O)NC)CC2)nnc1[C@@]1(OCC)CCOC1 1690252950 KQWVHJAXTXYHRU-ZCVJKFOLSA-N 461.607 2.264 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCCS(=O)(=O)C1 1690262690 JTVWRQXJBADOFB-KRWDZBQOSA-N 480.660 2.465 30 10 JEEE C=C(C)Cn1c(COc2ccc(OC)cc2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1690295825 RSRFUGZNWYJPLC-UHFFFAOYSA-N 488.570 2.082 30 10 JEEE C=C(C)COCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1690303430 YKSKOYDHGXKOJH-AEFFLSMTSA-N 471.558 2.278 30 10 JEEE C=C(C)COCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(NS(=O)(=O)CC)CC1 1690306069 OBUDFOFEWXPHHF-UHFFFAOYSA-N 491.614 2.217 30 10 JEEE C=CCC(C)(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1690434643 BPEVMKDRHQDXLE-UHFFFAOYSA-N 496.591 2.077 30 10 JEEE CCN(CC)C(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2n[nH]c(C)n2)CC1 1695598545 BRVAYYUHNFMPTQ-UHFFFAOYSA-N 462.562 2.070 30 10 JEEE CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1696479707 GNABZNOCQCJDKT-OAQYLSRUSA-N 472.615 2.148 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC[C@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1705560366 GDOVOYRZIUZNNJ-WOJBJXKFSA-N 473.555 2.439 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCCN2CCC[C@H]2C(=O)N(C)C)CC1 1705635566 CFGNMKPWFOZFJB-QFIPXVFZSA-N 484.048 2.296 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCN2CCC[C@@H]2C)CC1 1705646017 NOQUXLVIVQIRDN-IBGZPJMESA-N 480.613 2.412 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)Cc1ccc(C(=O)NC)cc1 1705693556 HXTHHSJUCYPBGR-WOJBJXKFSA-N 454.575 2.394 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(F)cc1 1705700551 VJAWESCYSZMHLW-TYPHKJRUSA-N 493.605 2.368 30 10 JEEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1705946316 FFCBEJDAKUHMRH-OWCLPIDISA-N 479.619 2.258 30 10 JEEE CCCn1nc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@](C)(O)CCOC)c2ccccc2c1=O 1709805752 GZZQVVBHRRGSEK-BJKOFHAPSA-N 483.548 2.294 30 10 JEEE CCN(CCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2CCC2)CC1)S(C)(=O)=O 1710140454 AIYALLKLBFPWQH-UHFFFAOYSA-N 471.631 2.163 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccsc3)n2C[C@@]2(O)CCN(C)C2)c1 1722307103 JDHQLNIWTKHXMU-XMMPIXPASA-N 464.595 2.053 30 10 JEEE C#CCN(c1nnc(CSc2ccc(C)cc2)n1C[C@@]1(OC)CCOC1)[C@@H]1CCS(=O)(=O)C1 1722369849 HYBIDQFXQYQXIN-XXBNENTESA-N 490.651 2.311 30 10 JEEE C#CCN(c1nnc(Cc2c[nH]c3ccccc23)n1C[C@H](C)COC)[C@H]1CCS(=O)(=O)C1 1722372096 PADDIPUNJMMGJD-HKUYNNGSSA-N 455.584 2.259 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Cl)c3)n2CCCN2CCOCC2)CC1 1722443866 OEWHYHNAPNVKTF-UHFFFAOYSA-N 471.005 2.287 30 10 JEEE C#CCSCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCNC(=O)C1 1722455305 RCKHGLXVHQFDHR-UHFFFAOYSA-N 450.362 2.019 30 10 JEEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 1722459004 AJCZIXAQYIDURQ-IBGZPJMESA-N 475.640 2.049 30 10 JEEE C=C(Br)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1722489807 WTZGAQMJMNGRTJ-INIZCTEOSA-N 477.338 2.389 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cn2ccc3ccccc32)nnc1N(C)CCNS(C)(=O)=O 1722508027 ZVRUITYCZPHRHB-SIKLNZKXSA-N 472.615 2.248 30 10 JEEE C=C(C)CN(CC)c1nnc(Cc2cn3ccccc3n2)n1CCN1CCN(C(C)=O)CC1 1722515781 YILYNRFWCSDDRV-UHFFFAOYSA-N 450.591 2.083 30 10 JEEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 1722523152 DDGZXWDFAVFYPD-MSOLQXFVSA-N 458.588 2.315 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 1722701600 WSZLMRWPFTWMFF-UHFFFAOYSA-N 459.597 2.273 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCC(O)(C(F)(F)F)CC1 1722729876 ZSEBBIRIBBBUHZ-UHFFFAOYSA-N 479.550 2.128 30 10 JEEE COCC(C)(C)CCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1 1730429098 FPOWYFFYSWGJBG-IBGZPJMESA-N 482.651 2.194 30 10 JEEE C#CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1740574893 JOQFCOHEBGEULB-XMMPIXPASA-N 450.591 2.218 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1ccc(OCCC)nc1)[C@H]1CCS(=O)(=O)C1 1740625599 GWOHJHKFFIUBCK-PMACEKPBSA-N 473.599 2.379 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1CCN(C(C)=O)CC1 1740644313 AXGNGRBXAVKKEA-OYRHEFFESA-N 468.602 2.380 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCC(=O)N[C@@H](C)CC 1740653837 ZNDGHFOFBGTKTD-IBGZPJMESA-N 473.581 2.443 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(F)cc1C(F)(F)F 1740679490 AHOZDEQPSFXKQW-CYBMUJFWSA-N 477.484 2.181 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(OCCCOC)cc2)CC1 1740696439 URDGCEIJRPVCGW-JOCHJYFZSA-N 453.587 2.391 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N(C)CCS(C)(=O)=O 1740753891 OYBLTNGOLCSKAP-OXQOHEQNSA-N 464.588 2.424 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1740760119 GTOUKDCDXJYPTF-WTGUMLROSA-N 467.636 2.267 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2cccc(C)c2)nnc1N1CCN(CC(=O)NCC)CC1 1740762787 GLAIJPWRSUHSBQ-SQJMNOBHSA-N 482.629 2.405 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(N2CCN(c3ncccc3C(N)=O)CC2)nnc1C(C)(C)C 1740765995 FNQPSOKPROTWGR-PKOBYXMFSA-N 453.591 2.377 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1OCCC1(C)C 1740937986 UZGOSWNERSSOQI-UXHICEINSA-N 493.630 2.254 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCCN(CCC)C(=O)C1 1740952838 OXIZGPLMFUCCII-KRWDZBQOSA-N 458.538 2.308 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](OC)c2ccc(F)cc2)C1 1740980084 HSJZOJAXWKQESM-MISYRCLQSA-N 464.563 2.488 30 10 JEEE CCCC(=O)NC[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1745151087 BVDJPEWUFGZLES-UXHICEINSA-N 484.626 2.384 30 10 JEEE C#CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1748739676 GBVIEQSUVMDRSC-HXUWFJFHSA-N 466.542 2.142 30 10 JEEE C#CCN(C)c1nnc(Cc2cccnc2)n1C[C@@H]1C[C@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1748794180 XYZGGMLRYCPFID-SLFFLAALSA-N 452.559 2.358 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCO[C@H]1C(=C)C)[C@@H]1CCS(=O)(=O)C1 1748807640 ADMXURFKKMZGRM-TYPHKJRUSA-N 485.566 2.461 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CC1(OCC)CCCC1)[C@@H]1CCS(=O)(=O)C1 1748820148 ZPZITPJWMQKXQZ-HXUWFJFHSA-N 457.600 2.240 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@H](C)CN2CCOCC2)CC1 1748978320 KCXYPRIGUOUJET-LJQANCHMSA-N 487.446 2.431 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2CCN2CCOCC2(C)C)CC1 1749018824 GEWHHKQGADENMM-UHFFFAOYSA-N 494.640 2.242 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1CCNc1nccc(C(F)(F)F)n1 1749073658 UTIUPOXROMJTBV-HXUWFJFHSA-N 462.480 2.314 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CCOC(C)C)CC1 1749118032 BNCJTVZTKKDSOM-IRLDBZIGSA-N 483.617 2.454 30 10 JEEE C=CC1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCN2CCOC[C@@H]2C)CC1 1749331184 DHYIARJJTCYWRA-IBGZPJMESA-N 488.658 2.319 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1749354481 RFDFKONSZHRAHH-GOSISDBHSA-N 497.579 2.495 30 10 JEEE C=CCCOCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC(CO)CC1 1749445785 XWVKHVIMORCEOV-UHFFFAOYSA-N 462.620 2.348 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2C[C@H](C)CN2CCCC2)c1 1760127497 ARHGCOWKMZMEBS-HXUWFJFHSA-N 477.613 2.189 30 10 JEEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2ncccn2)CC1 1760140934 DRTOYCFJUWHPTJ-UHFFFAOYSA-N 450.572 2.190 30 10 JEEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1760144644 XJCBYBTUQHZQHM-UHFFFAOYSA-N 493.033 2.183 30 10 JEEE C#CCN(c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1760185026 NTLCKOCZGKYAOU-MJGOQNOKSA-N 474.583 2.016 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@]1(C)CCCO1)[C@@H]1CCS(=O)(=O)C1 1760185809 DVQSDRXCHFEZIR-ZHRRBRCNSA-N 464.538 2.343 30 10 JEEE C#CCN(c1nnc([C@@H]2COc3ccccc3O2)n1CC(C)(C)CCOC)[C@@H]1CCS(=O)(=O)C1 1760186943 SCTYRMRWQSQLKX-NQIIRXRSSA-N 488.610 2.480 30 10 JEEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1CN(CC(C)C)CCO1 1760225989 FXUSHSQXPWAWLX-HXUWFJFHSA-N 487.674 2.363 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3CC)n2CCN2CCN(C)C(C)(C)C2)CC1 1760264252 GTPCAMJUYDXWKP-UHFFFAOYSA-N 479.673 2.201 30 10 JEEE C=CCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1760508795 MACGAGXIVKEQDQ-CQSZACIVSA-N 487.362 2.434 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](c2ccccc2C)C1 1760547224 GSRMGPOZHUPOLF-LJQANCHMSA-N 457.600 2.417 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1760557466 MJKQSYRMTOQCIA-IBGZPJMESA-N 475.615 2.132 30 10 JEEE COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(SC)CCOCC2)CC1 1769135773 DMXDMYTZRFQLBI-UHFFFAOYSA-N 470.599 2.024 30 10 JEEE COCC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1770977925 CPWCTBRFQFHSGI-RPWUZVMVSA-N 465.558 2.090 30 10 JEEE COc1ccc(N2CCCC2=O)cc1S(=O)(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 1858633501 KQBFDCZPUKZKPH-UHFFFAOYSA-N 454.552 2.200 30 10 JEEE CN(C)c1ccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2CCN2CCOCC2)cc1 1862559136 IKNVBFIFJUHYGE-JOCHJYFZSA-N 450.539 2.245 30 10 JEEE O=C(C1=C(O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccccc1[N+](=O)[O-])c1ccc2c(c1)OCCO2 1862609375 LMRNFTLZBTYEIK-QFIPXVFZSA-N 495.488 2.277 30 10 JEEE CC(=O)N(CCN)C(=O)[C@H](NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)c1ccccc1 1868794840 GZXXCSOXNAPAFN-IFMALSPDSA-N 467.595 2.216 30 10 JEEE C=CCN(CC=C)C(=O)[C@H](CCSC)NC(=O)c1ccc(OC)c(N2CCN(C)CC2)c1 1869015805 MFHLOGINBCNCAA-FQEVSTJZSA-N 460.644 2.499 30 10 JEEE CCOCCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CN1CCC(C(N)=O)CC1 1870349005 VYWOOFVMKDIFEU-UHFFFAOYSA-N 452.555 2.423 30 10 JEEE CCCCCCCOc1cn(CCc2ccc(S(N)(=O)=O)cc2)c(CN2CC(O)C2)cc1=O 1870416870 SZLPTTKTOLKKLC-UHFFFAOYSA-N 477.627 2.264 30 10 JEEE COc1ccc(CN=C(NC[C@@H]2COCCO2)N2CCN([C@@H](C)c3ccccn3)CC2)cc1 2087917986 LZWGGGZJSKLHIT-NZQKXSOJSA-N 453.587 2.330 30 10 JEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)N1CCC[C@H](B2OC(C)(C)C(C)(C)O2)C1 2180985768 SWJCMHFVAHDOBD-IRXDYDNUSA-N 486.440 2.495 30 10 JEEE CC(C)(C)OC(=O)NC[C@H](C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1)[C@H]1CCOC1 2206623994 STDRLKBRKGAVAP-RDJZCZTQSA-N 461.368 2.497 30 10 JEEE CNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2255747127 FMLJKROBEJVTBP-UHFFFAOYSA-N 464.418 2.293 30 10 JEEE COC[C@@H](ONC(=O)OC(C)(C)C)C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)s1 2256616390 BCQFAMSBYXKHEL-CQSZACIVSA-N 456.370 2.135 30 10 JEEE CN(Cc1sccc1B1OC(C)(C)C(C)(C)O1)C(=O)[C@H](CO)CNC(=O)OC(C)(C)C 2256679238 VDDADSKNUDUUPC-AWEZNQCLSA-N 454.398 2.139 30 10 JEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1C[C@@H](O)C[C@@H](NC(=O)OC(C)(C)C)C1 2267127886 LZJBZRLWWXQATD-CABCVRRESA-N 466.409 2.456 30 10 JEEE C[C@@H]1C[C@H](NC(=O)C(F)(F)F)CN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2267373756 HXNFDOARVPQQCG-NEPJUHHUSA-N 482.355 2.125 30 10 JEEE C[C@H](CCNC(=O)OC(C)(C)C)N(C)S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2267703889 DKSXVQQOKLXDGX-OAHLLOKOSA-N 469.413 2.305 30 10 JEEE Cc1nc(CNC(=O)OC(C)(C)C)sc1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2268638967 XHOVZWQWEKQYCG-UHFFFAOYSA-N 481.409 2.301 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@](CO)(C(=O)NCc2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2268680511 LTKZTDIDRQCJPM-JOCHJYFZSA-N 466.409 2.283 30 10 JEEE CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1csc(B2OC(C)(C)C(C)(C)O2)c1 2268718750 ZRFAYEXVCKLYFA-INIZCTEOSA-N 467.441 2.461 30 10 JEEE CC(C)(C)OC(=O)N1CC(O)(C(F)(F)CNc2cccc(B3OC(C)(C)C(C)(C)O3)n2)C1 2272848480 WJNDWGDYMIKGDP-UHFFFAOYSA-N 455.311 2.410 30 10 JEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NCCN1CCN(Cc2ccccc2)CC1 2281794959 BADDSKMVZWFXRJ-UHFFFAOYSA-N 453.392 2.435 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@]2(CNC(=O)c3ccccc3B3OC(C)(C)C(C)(C)O3)C[C@H]1CO2 2281932256 JTBCOWZFQINOCY-FYSMJZIKSA-N 458.364 2.494 30 10 JEEE Cn1nc(C(=O)NC2[C@H]3CC[C@H]2CN(Cc2ccccc2)C3)cc1B1OC(C)(C)C(C)(C)O1 2281966436 JFVQSVDPGJWRJD-OALUTQOASA-N 450.392 2.360 30 10 JEEE CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1CCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2281991149 WREBYGHWBKMKHA-CYBMUJFWSA-N 470.326 2.474 30 10 JEEE Cn1cc(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 2282046115 HHWXCIGKUUDBAU-JYJNAYRXSA-N 460.384 2.237 30 10 JEEE CC1(C)OB(c2cc(C(=O)NC[C@]3(O)CCN(Cc4ccccc4)C3)ccc2F)OC1(C)C 2282466854 PCYXTQKVPGPXNQ-RUZDIDTESA-N 454.351 2.492 30 10 JEEE C[C@@H]1C[C@@H](NC(=O)C(F)(F)F)CCN1C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2282534627 VPXVHIUQORJVNK-YPMHNXCESA-N 459.249 2.192 30 10 JEEE CC[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2282577950 LPXMLSICLBCVHM-DOTOQJQBSA-N 462.400 2.485 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2CC[C@]2(NC(=O)OC(C)(C)C)C1 2282586695 BUZTXBLHHGUDAP-CMJOXMDJSA-N 460.384 2.157 30 10 JEEE Cn1nc(C(=O)NC[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2282629438 VUVHAZVCBXCSTC-LBPRGKRZSA-N 476.305 2.295 30 10 JEEE CC(C)(C)OC(=O)NCc1nnc(NS(=O)(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)o1 2282845761 YWGKZRICEDEMQX-UHFFFAOYSA-N 480.352 2.194 30 10 JEEE O=C(C=Cc1ccco1)C1=C(O)C(=O)N(CCN2CCOCC2)[C@H]1c1cccc([N+](=O)[O-])c1 2314522667 SOCDMVZMXKKINJ-NRFANRHFSA-N 453.451 2.498 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)C1(C)C 2362325217 BUVHFNJBZNKSKT-GJZGRUSLSA-N 462.400 2.389 30 10 JEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CC(=O)N2CC[C@@](C)(B3OC(C)(C)C(C)(C)O3)C2)C1 2368348728 KSVSGIHHFCJMNT-OPAMFIHVSA-N 486.440 2.495 30 10 JEEE CCN1C(=O)[C@]2(/C(=C(/O)c3ccc(C)o3)C(=O)C(=O)N2CCCN2CCOCC2)c2ccccc21 8464740 AWIQLOBTIORRMB-VYNOCKSYSA-N 479.533 2.253 30 10 JEEE CCCSc1nnc(NC(=O)CSc2n[nH]c(N/N=C/c3cn(C)nc3C)n2)s1 20424158 HIOXPZWRXXOGPI-OMCISZLKSA-N 452.595 2.377 30 10 JEEE Cc1ccc(S(=O)(=O)/N=C(\O)N(CCN(C(C)C)C(C)C)[C@H]2CCS(=O)(=O)C2)cc1 23989986 IQUBFXFTYQNJKF-SFHVURJKSA-N 459.634 2.206 30 10 JEEE C=CCN1C(=O)N[C@@H](c2ccccc2C(F)(F)F)C2=C1CN([C@@H](C)C(=O)NCCOC)C2=O 35971470 SNAVZWUQEVYMNK-UGSOOPFHSA-N 466.460 2.205 30 10 JEEE C=CCNC(=O)CN1CCN(C(=O)CSc2nnc(-c3ccccc3)n2[C@@H](C)CC)CC1 504313792 JYRUAJGAFOAZTE-SFHVURJKSA-N 456.616 2.455 30 10 JEEE COc1cc2c(cc1OC)CN(C(=O)CCCNC(=O)c1cc(C#N)c(SC)nc1O)CC2 520820450 QWBROGUGSOPWSZ-UHFFFAOYSA-N 470.551 2.493 30 10 JEEE COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1-c1ccc(OC(F)F)cc1 590988063 FSCPZPMRDZYEAU-HNNXBMFYSA-N 485.512 2.155 30 10 JEEE COC(=O)[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)c1ccc2ccccc2c1 1137751714 GLDMDNAYOFJUSV-BTYIYWSLSA-N 451.504 2.409 30 10 JEEE C#CC[C@H](CCOC)NC(=O)c1ccc(NC(=O)C[C@H]2SC(N3CCCC3)=NC2=O)cc1 1149972514 VBGRBFYHLNIDNY-IEBWSBKVSA-N 456.568 2.267 30 10 JEEE C#CCN1CCC[C@H](NC(=O)c2ccccc2NS(=O)(=O)c2ccc3c(c2)OCCO3)C1 1177760034 WPCMPKQPQAAIRI-KRWDZBQOSA-N 455.536 2.086 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CCSC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1286393140 OXCWNQZODMMJFS-OAHLLOKOSA-N 459.519 2.144 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Oc1ccc(Cl)cc1 1286447477 KRKVCPKAKJPWKI-APWZRJJASA-N 482.006 2.191 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2Cc2cccnc2OC)CC1 1286491091 FFWOZTLBYWELMQ-UHFFFAOYSA-N 462.529 2.426 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H](C)Oc2ccc(OC)cc2)CC1 1286493690 PEHBHUSCOZYZQB-QUCCMNQESA-N 467.570 2.224 30 10 JEEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1286530061 FJHWAWWQHRVISQ-UHFFFAOYSA-N 480.411 2.149 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)Cc1cc(C)on1 1286787507 VQKZMSNGSLIEIO-UHFFFAOYSA-N 476.541 2.471 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2nccc(C(F)(F)F)n2)C1 1286810567 SVDHSLIZLRATIR-GJZGRUSLSA-N 486.520 2.013 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(NC(C)=O)nc2)C1 1286812699 NWBTWQIVEOVGQK-HXUWFJFHSA-N 450.547 2.323 30 10 JEEE CC(C)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)N(C)C)[C@@H](C)C1=O 1287775494 AZMSCIHZNWYDJP-OALUTQOASA-N 453.591 2.372 30 10 JEEE COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@]2(O)CCSC2)cc1Br 1300076471 GYPHLMFWFNAICQ-AUUYWEPGSA-N 480.388 2.313 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H](C)Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 1300493075 QLBJKBNYGMYFRS-DLBZAZTESA-N 456.597 2.302 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2Cc2nnc(C)s2)CC1 1300719354 XTTPELFCNKYVAV-UHFFFAOYSA-N 451.556 2.128 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2Cc2ccc(C[S@](C)=O)cc2)CC1 1300719624 JEBWFWFPJWUUNI-XIFFEERXSA-N 464.595 2.166 30 10 JEEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1300745870 OBZHUGLTRHDABN-PBHICJAKSA-N 478.504 2.443 30 10 JEEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(Cn2cncn2)CC1 1300975481 VCQSMRUNRCNKQW-UHFFFAOYSA-N 485.614 2.449 30 10 JEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 1301066703 TUTRIWBFCLDODF-DLBZAZTESA-N 468.624 2.444 30 10 JEEE C=CCCOCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCN(CC)C(=O)C1 1301258419 RWNUWJWGXFHFCU-LJQANCHMSA-N 492.621 2.238 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccc3C)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1301556687 LLNJPNHIZHVREP-NHCUHLMSSA-N 459.616 2.383 30 10 JEEE CC(C)OCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@](F)(C#N)C1 1303555598 AXZQNOMAYKSSMY-FQEVSTJZSA-N 450.540 2.062 30 10 JEEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1358919646 GZRPJFOCSYYZDH-GOSISDBHSA-N 498.031 2.064 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@](C)(O)[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1358958874 XTTSCVGERPBZLC-VUMVONDWSA-N 490.626 2.386 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1CC(=C)Br)[C@H]1CCS(=O)(=O)C1 1358965040 MTTWNUMDPBOGFI-HNNXBMFYSA-N 470.418 2.169 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccnc(C(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 1358968101 ZIZUWYVVIYROQH-JKSUJKDBSA-N 469.489 2.218 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(Br)cc2)n1CCCN(C)S(=O)(=O)CC 1358972896 WWHDGBXEUFKKDD-UHFFFAOYSA-N 478.416 2.452 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC(C)(C)C(=O)NC)CC1 1359047227 WZYNSVRDVZBSIE-UHFFFAOYSA-N 480.613 2.212 30 10 JEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccc(N3CCCC3=O)c2)CC1 1359159282 RXIDJOIIPKFCOX-KRWDZBQOSA-N 458.588 2.220 30 10 JEEE C=C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCCN(C)S(=O)(=O)CC)CC1 1359160214 OHQOXWZGSHDBOE-OAQYLSRUSA-N 455.625 2.147 30 10 JEEE C=CCCCn1c(N2CCN(CCOC)C(=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1359220493 ATUBRXUNPUMMBR-HDICACEKSA-N 462.595 2.310 30 10 JEEE C=CCN(c1nnc(-c2cc(Br)cn2C)n1CCN1CCCS1(=O)=O)C1CC1 1359247899 SSYHZXPZPBJCJL-UHFFFAOYSA-N 469.409 2.236 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1359295265 WINGUPVGEKURKW-CQSZACIVSA-N 481.420 2.376 30 10 JEEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1359337055 IZJYPTMDPBUABI-GDBMZVCRSA-N 453.638 2.055 30 10 JEEE CC(=O)N1CCN([C@@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CC(C)(C)CN(C)C)C[C@H]2C)CC1 1359399488 RCHLSLUEHAWVLR-HYBUGGRVSA-N 492.672 2.393 30 10 JEEE CSC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1505147099 ACXKLRNBWJODQZ-OAHLLOKOSA-N 495.650 2.367 30 10 JEEE C#CCCCn1c(COc2ccccc2F)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1507594159 ALFXIXGDHSTINE-UHFFFAOYSA-N 454.550 2.154 30 10 JEEE C#CCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1507595646 SLNOFNNXOSWNDQ-UHFFFAOYSA-N 484.988 2.195 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1507719625 AAOPIEFQOOAWFG-VFNWGFHPSA-N 478.366 2.142 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@H](C)CN2CCCCC2)CC1 1507740195 PSSZGSKPKAIOBL-OAQYLSRUSA-N 463.630 2.352 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](C)c2ccc(F)cc2)CC1 1507741317 ZCWYQIPBEUSAOU-GOSISDBHSA-N 466.561 2.309 30 10 JEEE C=C(C)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCCN(S(C)(=O)=O)CC1 1507829781 FYTXXALFMPDJOP-UHFFFAOYSA-N 485.614 2.284 30 10 JEEE C=C(C)COCCn1c(COc2ccc(F)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1507847043 BIHCCSSJRJYWHL-KRWDZBQOSA-N 467.567 2.059 30 10 JEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCCNC(=O)OC(C)(C)C)CC1 1507879959 GRZPXLIXBYKSAR-INIZCTEOSA-N 456.613 2.350 30 10 JEEE C=CCCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1507926860 VGLXFZBULFWTGM-WMZOPIPTSA-N 456.522 2.061 30 10 JEEE C=CC[C@H](Cn1c(CC(C)(C)C)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1)c1ccccc1 1507930671 YXFVATQVFPLJAA-WOJBJXKFSA-N 450.587 2.374 30 10 JEEE C=CCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(=O)c2ccco2)CC1 1507960113 WCELPDXKABAYJI-UHFFFAOYSA-N 499.593 2.497 30 10 JEEE C[C@H](Oc1ccccc1F)c1nnc(N2CCO[C@H](C#N)C2)n1CCN1CCN(C)C(C)(C)C1 1510280504 HUDAJQMIIPFFQD-RBUKOAKNSA-N 471.581 2.312 30 10 JEEE COc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CC2(S(C)(=O)=O)CCC2)cc1OC 1518130108 IEXOIMZRGYFHFH-HXUWFJFHSA-N 463.535 2.372 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(Cl)nc2)c1 1539043406 QBLXATDNLTWGLK-SFHVURJKSA-N 463.929 2.382 30 10 JEEE C#CCCCn1c(N2CC[C@H](N3CCN(C(C)C)CC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1539141140 SKSNFOCMOXVUJT-DHLKQENFSA-N 458.651 2.337 30 10 JEEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1cccc(N2CCOCC2)c1)[C@H]1CCS(=O)(=O)C1 1539201660 BOMLNJIUNUSQLO-UGKGYDQZSA-N 471.627 2.303 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1Cc1nccn1C(F)F)[C@H]1CCS(=O)(=O)C1 1539212458 OZXBDCFIPVNFSB-INIZCTEOSA-N 476.509 2.220 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cn(CCCCC)nc2C)CC1 1539427685 HIKVFGVDGSCDEB-UHFFFAOYSA-N 475.601 2.424 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3OCC)n2CC2CCN(C(=O)OC)CC2)CC1 1539461789 LTNPDQCXSUXBST-UHFFFAOYSA-N 496.612 2.489 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2Cc2ccnc(OC(F)F)c2)CC1 1539484168 FKLGDKMTAHACFN-UHFFFAOYSA-N 481.507 2.274 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2nc(C)c(C)s2)CC1 1539889949 FDHLUXIQYRUVQL-GOSISDBHSA-N 480.660 2.329 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](c2nccs2)C1 1540899094 CQUBPNFYBNDTJL-SFHVURJKSA-N 470.580 2.452 30 10 JEEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN(CC)C(=O)OC(C)(C)C 1587946128 VLNKVORPRIJMTN-UHFFFAOYSA-N 451.535 2.247 30 10 JEEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1CC1(C)COC1)[C@H]1CCS(=O)(=O)C1 1588069415 NKQGZHLAFVSJOL-IBGZPJMESA-N 458.584 2.137 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCN(C2CC2)C1 1588646417 JTGUSZBMICBEGO-FPOVZHCZSA-N 488.633 2.157 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)cc1C 1589216711 VWXSCLIHLUBYNL-NFBKMPQASA-N 457.600 2.268 30 10 JEEE C=C1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@H]2CC[C@H](CO)O2)CC1 1594097559 UXMQYAHEWGBPPZ-IPMKNSEASA-N 463.579 2.283 30 10 JEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(c2ccccc2)CC1 1594732530 FWCMLHXTUYLQQN-OAQYLSRUSA-N 474.631 2.294 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1 1595530097 SNXPUFNQCHFELX-MRXNPFEDSA-N 472.594 2.110 30 10 JEEE C=CCOc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CCC[C@H](NC(C)=O)C2)cc1 1595640371 VXEZNMHYEORREG-FQEVSTJZSA-N 452.559 2.119 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1595776957 GLQPRKCMZXFYIO-NRFANRHFSA-N 481.582 2.212 30 10 JEEE C#CCN1CCC[C@H](NC(=O)c2nnn([C@H]3CCN(C(=O)OC(C)(C)C)C3)c2C(F)F)C1 1595790059 IKZLRCCOYRHOPU-GJZGRUSLSA-N 452.506 2.225 30 10 JEEE CCCc1nc(C)c(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(CC(=O)NCC)CC2)o1 1614430975 BWBHMTWJCHPOJH-UHFFFAOYSA-N 476.585 2.372 30 10 JEEE CCCNC(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1614959879 FOXRRFHMMCTGPY-UHFFFAOYSA-N 459.558 2.158 30 10 JEEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@](C)(O)C2CC2)C[C@@H]1C 1619951451 DSEJXIQGXHGIRY-UUOWRZLLSA-N 454.575 2.047 30 10 JEEE N#Cc1ccc(CN2CC[C@@H](NC(=O)[C@@H]3CC(=O)N(Cc4ccccc4Cl)C3)C2=O)cc1 1639973490 BRYGKRRHOICXNL-TZIWHRDSSA-N 450.926 2.477 30 10 JEEE C#CCN(CC(=O)NC(c1ccc(OC)cc1)c1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1657713297 ALFWRVXESNZFEJ-HXUWFJFHSA-N 456.564 2.032 30 10 JEEE COc1cc(NC(=O)NCCn2cnc(C#N)n2)c(C(=O)N2[C@@H](C)CCC[C@@H]2C)cc1OC 1672893936 BTLIABBPXFRULC-GJZGRUSLSA-N 455.519 2.392 30 10 JEEE C#C[C@@H](NC(=O)NC1CCN(S(=O)(=O)C2CCOCC2)CC1)c1ccc(Cl)cc1F 1677811960 BXBFTFHNVGXQBV-LJQANCHMSA-N 457.955 2.426 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H](C)N2CCC(C)CC2)CC1 1690113217 CWFPEZQTFMNUNH-WIOPSUGQSA-N 458.651 2.194 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 1690113679 QHWKRWJGPFZWOD-CPJSRVTESA-N 488.633 2.085 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccccn3)n2CCc2c(OC)cc(OC)cc2OC)CC1 1690119416 DZHAPODBSNJKMN-UHFFFAOYSA-N 462.554 2.364 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2C[C@@]2(N(C)C)CCSC2)CC1 1690148316 CFYQPJAYOGGCID-VWLOTQADSA-N 484.645 2.411 30 10 JEEE C#CCSCCn1c(N2CCN(c3ncccc3F)CC2)nnc1[C@]1(OCC)CCOC1 1690185716 FDERWXJZULISNO-QFIPXVFZSA-N 460.579 2.157 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1690245265 GHHLBBYFOKSYQL-RYRKJORJSA-N 484.523 2.105 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](CN2CCCC[C@H]2C)C1 1690288316 RNMPOVIVMZCDBU-HKBOAZHASA-N 480.679 2.278 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2CCN(CCC)CC2)CC1 1690411857 WBDDEVQGJZZPFO-NRFANRHFSA-N 480.679 2.135 30 10 JEEE C=CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1(N(C)C)CCOCC1 1690523898 RZPBTCMTSHQITL-UHFFFAOYSA-N 451.575 2.408 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCCC[C@@H](SC)C1 1690714223 HRRYIHXFLKNADW-MRXNPFEDSA-N 464.617 2.248 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC=C(C)CC1 1690723576 WCGOLRZILYKDMV-UHFFFAOYSA-N 468.583 2.432 30 10 JEEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(Cc2cc(C)no2)CC1 1690733500 GJJGKWAYUIMJBV-UHFFFAOYSA-N 468.587 2.463 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(N2CCSCC2)CCCC1 1692662596 IBENPZORDLJSJM-ZWKOTPCHSA-N 466.677 2.280 30 10 JEEE C#CCN(c1nnc(CC)n1C[C@@H]1CCN(CCc2ccccc2)C1)[C@@H]1CCS(=O)(=O)C1 1705569550 FAZPSZVIQPVZSX-FGZHOGPDSA-N 455.628 2.032 30 10 JEEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2CC2(C(=O)N(C)C)CCCC2)CC1 1705641544 JRBKSBHYEDVFAH-UHFFFAOYSA-N 464.614 2.303 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H](C)N2CCC(C)CC2)CC1 1705644893 FLWGHTWSOAWPGD-LVXARBLLSA-N 486.661 2.016 30 10 JEEE C#CCSCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@](F)(C#N)C1 1705653700 NKBOHGAVKSASHF-FQEVSTJZSA-N 461.592 2.355 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](c1cccs1)N1CCOCC1 1705667676 ZVLHDAKVJLIKNU-NPPFBWRTSA-N 492.671 2.015 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(CS(C)(=O)=O)CC1 1705670440 UWGPSHMFNMGPQZ-OAQYLSRUSA-N 476.624 2.166 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 1705737609 WAJBDBIDFKLKMX-JKSUJKDBSA-N 466.526 2.321 30 10 JEEE C=C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCNS(=O)(=O)c2ccccc2)CC1 1705771325 PCHHXPICTDKAPP-UHFFFAOYSA-N 455.588 2.275 30 10 JEEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCN1CCC(O)CC1 1705835783 UFQXNVCZJPAOLI-UHFFFAOYSA-N 461.636 2.016 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCN(C(C)=O)C[C@H]1C 1705897357 LGGUVQHDFQLZTL-QZTJIDSGSA-N 470.574 2.176 30 10 JEEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCCN(c2nc(CC)ns2)CC1 1705907329 IROOHPJOUJONIV-UHFFFAOYSA-N 480.642 2.496 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@@H](OC)C1 1705930103 FMLBFQFDCCQWTR-LJQANCHMSA-N 461.588 2.363 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1705933327 CICXYQHPMGZVQR-MSOLQXFVSA-N 463.991 2.447 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCN(c2ccccn2)CC1 1705934911 AKOAMEYKFDYDLZ-UHFFFAOYSA-N 466.611 2.500 30 10 JEEE C=CCS(=O)(=O)CCn1c(N(C)C[C@H]2CCCO2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705938722 IABVURURZTYIMQ-FGTMMUONSA-N 483.635 2.265 30 10 JEEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1710874586 HRUIXFDPPJDHST-HXUWFJFHSA-N 480.598 2.147 30 10 JEEE CN(Cc1ncnn1CC(F)F)c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CCC1 1711124860 FWUUPJNJNLNJQL-UHFFFAOYSA-N 458.473 2.137 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1722362722 VWDNUAGBOIYJEK-ZVDOUQERSA-N 487.674 2.062 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H](c1ccccc1)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1722367046 LSJYIUNPXBEMPC-ZLNRFVROSA-N 485.654 2.492 30 10 JEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1CC(C)(C)OC)[C@H]1CCS(=O)(=O)C1 1722372110 PKARPXWIBQNHNB-IBGZPJMESA-N 460.600 2.124 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(C(=O)N(C)C)CCCC1 1722383474 IBYBLPZYEZOXCV-HXUWFJFHSA-N 498.628 2.308 30 10 JEEE C#CCN(CC)c1nnc(COc2cc(C)ccc2C)n1CCS(=O)(=O)N1CCSCC1 1722415805 HKMNQQONRJLQLS-UHFFFAOYSA-N 477.656 2.312 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CCCCC3)n1CC(=O)N1CCOCC1 1722422605 ZDEXSEZWHVCFLE-UHFFFAOYSA-N 457.600 2.220 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2C[C@H]2NC(=O)CC2(C)C)CC1 1722430340 AZGMAHSGLPVMED-SIKLNZKXSA-N 480.613 2.487 30 10 JEEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1722464541 JHYZDMWPRRLLSU-UYAOXDASSA-N 471.631 2.150 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1722482928 DUDLCXLANNPPJD-AWEZNQCLSA-N 472.409 2.076 30 10 JEEE C=CCC(C)(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1722580043 GDLFAFSQRFZFGG-UHFFFAOYSA-N 487.649 2.070 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c(-c2cccnc2)nnc1N1CCN2C(=O)NC[C@@H]2C1)C(C)C 1722667536 VXMIWFGIHDEJRH-RTWAWAEBSA-N 450.591 2.253 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)Cc1cnn(CC)c1 1722697430 KFCQRUUVDUDYQL-UHFFFAOYSA-N 489.584 2.391 30 10 JEEE CC(=O)NC[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCN(C)C(C)(C)C2)C1 1722828548 DUENLARPMKRCKT-QFIPXVFZSA-N 478.645 2.195 30 10 JEEE Cc1nn(C)c(N2CCN(c3nnc(CC(C)(C)C)n3Cc3ccc(C)n(C)c3=O)CC2)c1C#N 1725866849 GMWGPFADEQXOSN-UHFFFAOYSA-N 477.617 2.162 30 10 JEEE CCN1CCN(CCCn2c(CNC(=O)c3cccs3)nnc2N2CCC[C@](C)(C#N)C2)CC1 1728638213 HLJYADSPMRNPAP-XMMPIXPASA-N 484.674 2.427 30 10 JEEE CN(CC(=O)N1CCOCC1)c1nnc(COc2ccc(C#N)cc2)n1CC1CC(C)(C)C1 1729372261 FOAXWXJMZQIJFV-UHFFFAOYSA-N 452.559 2.460 30 10 JEEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(c2cnccn2)CC1 1740590500 HUOJJMKQBSYQEH-LJQANCHMSA-N 482.589 2.117 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@H]1CCOc2ccccc21)[C@H]1CCS(=O)(=O)C1 1740615451 FCAPOSMVGRHQES-QUCCMNQESA-N 499.637 2.390 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCN(C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1740615556 GVBSVPYRSFJXBM-OAQYLSRUSA-N 486.642 2.114 30 10 JEEE C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@@H]1CCOc2ccccc21)[C@@H]1CCS(=O)(=O)C1 1740616754 GMGWWXNSPJZSQB-SLFFLAALSA-N 488.610 2.195 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@@](C)(O)c1ccco1)[C@@H]1CCS(=O)(=O)C1 1740626056 VKMLEYQKMYKDBH-DYESRHJHSA-N 460.581 2.058 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1CCN1CCOC(C)(C)C1 1740631665 CVLGASRYKLTJPH-UHFFFAOYSA-N 459.392 2.230 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCn2ccnc2C1 1740677283 HXPXZQDSMSUXMM-IEBWSBKVSA-N 485.589 2.126 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCOC3)n2CC2C[C@H](C)O[C@@H](C)C2)n1 1740689293 UVWRYZLVAOWCCK-IRFCIJBXSA-N 456.591 2.468 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC[C@@H]2COCCO2)CC1 1740702249 KGKKIOMHYFDLQM-XMSQKQJNSA-N 485.560 2.329 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](C)N2CCC[C@H](C)C2)CC1 1740705111 CFCIOPKDRCQDJX-JAXLGGSGSA-N 456.635 2.258 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCO[C@H](CNC(C)=O)C1 1740754639 UVJGLUPEYZCHJF-NMNUPHIUSA-N 485.585 2.285 30 10 JEEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 1740875907 MJXBBNAGIGXOTB-GOSISDBHSA-N 461.563 2.248 30 10 JEEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2cccc(Cl)c2)CC1 1740886002 SYWJJDOUXYWSKU-IBGZPJMESA-N 472.977 2.438 30 10 JEEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(Cn2nc(C)cc2C)CC1 1740963184 CFXRLQDVWOQLRX-UHFFFAOYSA-N 496.641 2.302 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC2(NC(=O)OC(C)(C)C)COC2)C1 1740972338 HBOWVWJASHGNDN-KOSHJBKYSA-N 493.605 2.005 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@@H](C#N)C1 1740987075 OQPQJPDJTGJVDW-YJBOKZPZSA-N 465.963 2.401 30 10 JEEE C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1ncnn1CC(F)F)N1CCOCC1 1741835494 COYFRBMBTZLDGX-INIZCTEOSA-N 471.516 2.030 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@H]1CCC[C@H](O)C1 1744086495 GTODAYZBVFXHIK-FPOVZHCZSA-N 480.617 2.341 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCN1CCCO[C@@H](C)C1 1748651220 JZDIDKCGGJQVCA-MOPGFXCFSA-N 459.616 2.307 30 10 JEEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC1(S(C)(=O)=O)CCCC1 1748795009 TZWBGJYLFWZHMW-UHFFFAOYSA-N 484.670 2.070 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCCO[C@@H]1C(C)C)[C@H]1CCS(=O)(=O)C1 1748821138 MFIVHDUHLMOZRF-QNWVGRARSA-N 488.658 2.218 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H](OC)C(C)(C)C)CC1 1749000844 BHLKPCXSNZXGHO-LJQANCHMSA-N 460.623 2.223 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)C[C@@H](C)C(=O)NC 1749120493 FAESPAQSUOCEHU-POAQFYNOSA-N 475.615 2.148 30 10 JEEE C=C(C)COCCn1c(CC(C)(C)C)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1749231424 PPKBXEASBXXLKM-UHFFFAOYSA-N 466.608 2.099 30 10 JEEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(N2CCCCC2=O)CC1 1749354593 UTXLMYMAFAJRGU-KRWDZBQOSA-N 466.652 2.472 30 10 JEEE C=CCCOCCn1c(-c2ccccc2OC)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1749452087 NMBZRSNTLUZCLE-XMMPIXPASA-N 468.558 2.361 30 10 JEEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC2(CCCCCC2)C1 1749457482 LKGVQLCMPSASOL-HXUWFJFHSA-N 497.662 2.133 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCN(Cc2csc(C)n2)CC1 1749722050 ZWPVUOOMOAYRFX-MRXNPFEDSA-N 452.650 2.480 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCO[C@H](c2nccs2)C1 1749731742 JHIQPBYEDYMACF-CVEARBPZSA-N 453.590 2.155 30 10 JEEE CC(C)C(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCO[C@H]2C)C1 1750557291 CJENPQGKWOVPAE-KHOMTPLRSA-N 466.586 2.345 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1C[C@H]1CCOC[C@H]1C 1750965182 GSLIRNHLQGUXGH-IEBWSBKVSA-N 469.565 2.426 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2C[C@](C)(O)c2ccco2)c1 1760125298 HFIJPPKIORQFBW-DEOSSOPVSA-N 459.510 2.236 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCCO3)n2Cc2cnn(CCOC)c2)c1 1760128669 OZKGPJIQJQBDLE-QFIPXVFZSA-N 477.569 2.467 30 10 JEEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2nc(C)cc(OCC)n2)CC1 1760129386 LNCOTSNNIQUEDK-UHFFFAOYSA-N 466.590 2.141 30 10 JEEE C#CCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1760155479 ZBHRGVJLPFHBRN-KNQAVFIVSA-N 466.586 2.241 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1CC[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1760184933 ZJVPWZUIINGMQU-PKOBYXMFSA-N 474.583 2.016 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C(C)(F)F)cc1 1760232643 BTMIBSJBAOPAON-GOSISDBHSA-N 467.542 2.231 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H]2CC=CCO2)CC1 1760265007 KLSJKXYZXMUCGW-QFIPXVFZSA-N 476.581 2.458 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2CC(F)(F)CO2)CC1 1760266715 KANDBLAAKOUHCM-OAHLLOKOSA-N 497.344 2.426 30 10 JEEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2nccc(OC)n2)CC1 1760276374 BKNQWAHUUWJLFK-UHFFFAOYSA-N 470.990 2.485 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2COc3ccccc3O2)n1CCCN(C)S(=O)(=O)CC 1760294996 KXEZUCVIZQCWHP-NZQKXSOJSA-N 473.599 2.454 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCO[C@@H]1C(C)(C)C 1760295342 RSSCOUJIZSAPAE-KCOOYEKVSA-N 493.674 2.444 30 10 JEEE C=CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1760437006 NZVKTOKAWQNQLF-UHFFFAOYSA-N 470.574 2.102 30 10 JEEE C=CCCOCCn1c(-c2nnc(O)c3ccccc23)nnc1N1C[C@H](C)O[C@H](COC)C1 1760449478 KYGKINXSMNNGBS-IRXDYDNUSA-N 454.531 2.427 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC([C@@H](O)c2ccc(F)cc2)CC1 1760548399 FUHFJYLQZRNRAU-FQEVSTJZSA-N 493.605 2.106 30 10 JEEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(C)CCOCC2)C1 1765671972 HYYZJPDSBZYSMN-LJQANCHMSA-N 458.588 2.151 30 10 JEEE CCOc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(OC)nc1 1767634084 HBSLIOYWEFRLDF-SFHVURJKSA-N 450.499 2.436 30 10 JEEE CNS(=O)(=O)c1cccc(Cn2c(-c3cccn3C)nnc2N2CCC(CC#N)CC2)c1 1769362793 FYLXAMBNNKZRIQ-UHFFFAOYSA-N 453.572 2.370 30 10 JEEE N#Cc1ccccc1S(=O)(=O)N(C[C@@H](O)CN1C(=O)c2ccccc2C1=O)c1ccccc1 1857970517 SWLDHWOGGOBBPH-IBGZPJMESA-N 461.499 2.411 30 10 JEEE CC(C)(C)OC(=O)N(CCC(=O)N[C@H](CO)C(=O)Nc1cccc(C#N)c1)Cc1cccnc1 1867086177 VEZUBIQYXRWUHA-HXUWFJFHSA-N 467.526 2.196 30 10 JEEE CCN(CC)CCNC(=O)c1ccc(-n2nnc(C#N)c2NS(=O)(=O)c2ccc(C)cc2)cc1 1870098749 AOYOFOCAEDANJW-UHFFFAOYSA-N 481.582 2.320 30 10 JEEE C=CCN(CC=C)C(=O)c1cc2c(NCCc3ccc(S(N)(=O)=O)cc3)ncnc2n1C 1875196511 AIQKCBVDAZWHOS-UHFFFAOYSA-N 454.556 2.085 30 10 JEEE C=CCn1c(C(=O)N2CCN(CCO)CC2)cc2c(NCCc3ccc(OC)cc3)ncnc21 1875228693 ZRJWLACHQVAGKE-UHFFFAOYSA-N 464.570 2.031 30 10 JEEE CN1CCN(CC#CCOC2CCN(C(=O)CCc3nc4cc(Cl)ccc4n3C)CC2)CC1 1889570552 PNDGVGHLXBEJCW-UHFFFAOYSA-N 472.033 2.418 30 10 JEEE C#CCn1ncc(N[C@@H]2CCOC[C@H]2NC(=O)OCc2ccccc2)c(Br)c1=O 2106034536 IADXDKNXUGTCMT-NVXWUHKLSA-N 461.316 2.135 30 10 JEEE C=CCN(CCC(=O)N1CC(O)(C2CCN(C(=O)C(F)(F)F)CC2)C1)C(=O)OC(C)(C)C 2124339036 VGAGOKIHOUMHQQ-UHFFFAOYSA-N 463.497 2.174 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]1NS(=O)(=O)Cc1ccccc1B1OC(C)(C)C(C)(C)O1 2255793938 FBUUZBVIECIZOA-IRXDYDNUSA-N 452.382 2.071 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1S(=O)(=O)N[C@@H]1C[C@@H]1NC(=O)OC(C)(C)C 2255933531 PKLFQUPPEHGBOV-JKSUJKDBSA-N 452.382 2.238 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@H]2NS(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2267376395 VBGIGKCEPKAKMC-JLSDUUJJSA-N 464.393 2.272 30 10 JEEE CC(C)(C)OC(=O)NCCN(CCO)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1F 2267406403 WHUYEODYURGMIE-UHFFFAOYSA-N 452.332 2.084 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]1NS(=O)(=O)c1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2267468685 XOAANHQAXPMWSN-SJORKVTESA-N 470.372 2.459 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)CC[C@@H]1CO 2267612715 NJFACCJYCWEGLV-HUUCEWRRSA-N 466.409 2.395 30 10 JEEE CC(C)(C)OC(=O)NCCOCCOCCC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 2268194596 RDABAPCRWMOTPI-NRFANRHFSA-N 460.575 2.171 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1CCN(C(=O)OC(C)(C)C)C1(C)C 2282037714 YYTDIOSSUNELRR-OAHLLOKOSA-N 462.400 2.485 30 10 JEEE C[C@H]1C[C@@H](CNC(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2282043589 KNPCROUBCNXYCA-HOTGVXAUSA-N 462.400 2.342 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NCC1(NC(=O)OC(C)(C)C)CCOCC1 2282183662 JDRUNHAJNWPHCM-UHFFFAOYSA-N 463.384 2.128 30 10 JEEE C[C@@H](NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1F)C1(O)CN(C(=O)OC(C)(C)C)C1 2282411848 XOKAQGWWVBVMIQ-CQSZACIVSA-N 464.343 2.225 30 10 JEEE CCc1nc(C(=O)N2C[C@H](NC(=O)OC(C)(C)C)[C@H](OC)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2282513964 XGSFAJVMBQNGIC-UONOGXRCSA-N 481.424 2.369 30 10 JEEE Cc1c(C(=O)N2C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282590834 HQBALBAQXNHPFI-HNNXBMFYSA-N 462.400 2.403 30 10 JEEE CC(C)(C)OC(=O)NCC[C@H]1CN(C(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)CCO1 2282685185 BBEGXNBCGVKELJ-INIZCTEOSA-N 461.368 2.137 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](NC(=O)c3ncncc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2282708418 MFDBNXDPIHTZMY-ZOBUZTSGSA-N 458.368 2.151 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@@H]2NS(=O)(=O)Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2282844481 DLDMVALYXTVRLL-NZSAHSFTSA-N 478.420 2.413 30 10 JEEE C[C@@H]1C[C@@H](CNC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2283054892 ALBQZEMCSZEOCJ-CVEARBPZSA-N 460.384 2.399 30 10 JEEE C[C@@H](c1nscc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)[C@H]1C[C@H](O)CN1C(=O)OC(C)(C)C 2283976291 BKMCPWRDYOFEIN-OFQRWUPVSA-N 481.424 2.332 30 10 JEEE Cc1cnc(C(=O)N[C@H](CN(C)Cc2ccccc2)C(=O)O)c(B2OC(C)(C)C(C)(C)O2)c1 2284474016 FZAPNINDXCPVLC-LJQANCHMSA-N 453.348 2.004 30 10 JEEE COC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)(C)C)C2)n1N=Cc1ccc([N+](=O)[O-])cc1 2327870341 YWGOAPQMZBNBCL-AWEZNQCLSA-N 460.516 2.448 30 10 JEEE COC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)Oc1cc(B2OC(C)(C)C(C)(C)O2)c(F)cn1 2345740787 IINOEEBMJVFTBX-WBMJQRKESA-N 454.304 2.354 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCN(C(=O)OC(C)(C)C)CC[C@@H]2C)n1C 2362486720 KMMWJNFNTOVUQN-HNNXBMFYSA-N 462.400 2.499 30 10 JEEE COc1nc(N2CCC[C@@](CO)(NC(=O)OC(C)(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2365347087 BJHUXAMUIPTCAE-HSZRJFAPSA-N 463.384 2.245 30 10 JEEE CC1(C)OB(c2ccc(CS(=O)(=O)N[C@@H](CCO)COCc3ccccc3)cc2)OC1(C)C 2369629499 NANHWMAHENAHNG-QFIPXVFZSA-N 475.416 2.373 30 10 JEEE COCCCn1c(=NC(=O)c2ccc3c(c2)OCO3)c(C#N)cc2c(=O)n3cccc(C)c3nc21 4295486 FFXHXZYJONERMP-UHFFFAOYSA-N 471.473 2.336 30 10 JEEE CC(=O)c1ccc(NC(=O)CSc2nnc(N/N=C(\C)c3ccc4c(c3)OCO4)n2N)cc1 21318384 AGRHORXLHGKVHK-WYMPLXKRSA-N 467.511 2.490 30 10 JEEE Cc1nn(C)c(C)c1/C(O)=C1/C(=O)C(=O)N(CCCN2CCOCC2)[C@H]1c1ccc(F)cc1 102758112 XPGVQJDQZBNDFN-AGGMBTAESA-N 456.518 2.320 30 10 JEEE COCCN1C(=O)C(=O)/C(=C(\O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccc(C(=O)OC)cc1 111276802 PGCYODCIHLEOEM-LCPUNJGISA-N 453.447 2.313 30 10 JEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCN([C@H](C)C(=O)NC3CCCC3)CC2)cc1 509552060 AZYQNGQFCGVAEF-GOSISDBHSA-N 477.631 2.090 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)C[S@@](=O)CC(=O)N2CCCc3ccccc32)nc1C 526836755 MTBTUQPRDPDRMD-WJOKGBTCSA-N 461.565 2.461 30 10 JEEE C#C[C@]1(O)CCN(C(=O)[C@H](CCC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)C1 757470831 WHYZJVQSEKFERX-NVQXNPDNSA-N 462.502 2.355 30 10 JEEE Cc1nn(CCO)c(C)c1C=NNc1nc(SCC(=O)Nc2cc(F)ccc2F)n[nH]1 1084388520 GICZRXHLEKVBKL-UHFFFAOYSA-N 450.475 2.065 30 10 JEEE C=CCC[C@H](CO)NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(Br)s1 1140627540 XCIYUNSGDSAOFT-OLZOCXBDSA-N 451.408 2.497 30 10 JEEE CC(=O)N1CCN(CCOc2ccc(CCNC(=O)NCc3ccc(C#N)s3)cc2)CC1 1221721431 GLUYVXQRNCXSGD-UHFFFAOYSA-N 455.584 2.205 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2C[C@@H](OC)C(C)C)c1 1286311003 BYQMPJYBZGUMJR-HXUWFJFHSA-N 452.559 2.128 30 10 JEEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1CC(F)(F)C1)[C@@H]1CCS(=O)(=O)C1 1286383232 LRFYGERZTFOSRN-QGZVFWFLSA-N 498.577 2.021 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCc1nnc(C)s1 1286421444 PDHDIJLXAIKHJE-UHFFFAOYSA-N 497.650 2.451 30 10 JEEE C=C(C)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC(CC(N)=O)CC1 1286596073 RKXIJYHIKZPSCB-UHFFFAOYSA-N 451.619 2.311 30 10 JEEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(Cl)c1 1286607158 CEFXDULTGBCHNM-LJQANCHMSA-N 484.022 2.494 30 10 JEEE C=CC[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CNS(C)(=O)=O)CC1)c1ccccc1 1286678974 HWTKKWIYKYXSTD-LEWJYISDSA-N 486.642 2.355 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCOC[C@@H]1OC 1286769264 PASPRBUSYSMIMN-AABGKKOBSA-N 495.621 2.277 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2ccc(F)c(F)c2F)C1 1286800336 JSPVKXLYKDAOHM-ZFWWWQNUSA-N 473.521 2.330 30 10 JEEE CCN(CCCn1c(C2CCCC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1)S(C)(=O)=O 1295810310 GPHOBJFGHLLFFZ-UHFFFAOYSA-N 486.646 2.201 30 10 JEEE CC(=O)NC[C@@H]1CCn2ncc(C(=O)N3CCN([C@H](C#N)c4cccc(Cl)c4)CC3)c2C1 1297320825 AWAHSTMTSRAVCP-VGOFRKELSA-N 454.962 2.258 30 10 JEEE C#CCCCn1c(N2CCN(C(=O)Cc3ccccc3)CC2)nnc1[C@@]1(OCC)CCOC1 1300425748 WPRUSSWUZGSTQD-RUZDIDTESA-N 451.571 2.235 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCOc1ncccc1F)[C@@H]1CCS(=O)(=O)C1 1300482147 DGMZRZJBGOFUOZ-GOSISDBHSA-N 485.541 2.194 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCC(F)(F)C1)[C@@H]1CCS(=O)(=O)C1 1300504957 WQJKFHIZFQGCLG-QZTJIDSGSA-N 466.558 2.202 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(S(C)(=O)=O)CCCC1 1300631191 NCDHKSSHBRHERG-SFHVURJKSA-N 495.646 2.403 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1300655045 NSSZLVYACIJRRR-CYFREDJKSA-N 456.543 2.386 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H]2CC2(C)C)CC1 1300700490 RBLAWEGXCDTMKN-RTBURBONSA-N 458.607 2.388 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 1300991839 WDTDEFMHSQHXIC-QZTJIDSGSA-N 483.635 2.219 30 10 JEEE C#C[C@H](C)N(C)c1nnc(Cc2csc(C)n2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1358894091 IFHCSJANUKNBQV-IEZWGBDMSA-N 456.595 2.438 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1C[C@H]1CCN(CC)C1)[C@@H]1CCS(=O)(=O)C1 1358958664 TWLFAPIHPKOMCB-RBBKRZOGSA-N 455.628 2.476 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC[C@@H](C)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1358962745 VZPCHHYJKXXELX-NJYVYQBISA-N 463.648 2.411 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@](C)(O)[C@@H](C)CC 1358972005 QBVFSAQRRRJBDG-MBSDFSHPSA-N 457.600 2.065 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@]1(N(C)C)CCSC1 1359017311 ZSYAQVQROBEFCR-CVDCTZTESA-N 491.658 2.396 30 10 JEEE C#CCN(CCOC)c1nnc(Cc2ccccc2F)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1359025477 PQQXULVPRMWNKI-UNMCSNQZSA-N 489.617 2.298 30 10 JEEE C=C(Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1)c1ccccc1 1359140591 GSFDURNCBKSOQH-HIUFNZKISA-N 456.543 2.076 30 10 JEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 1359302410 GXNRGRJXPIWFOE-KRWDZBQOSA-N 475.619 2.382 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CCOCC2(CC2)C1 1359335370 JQNORZUYOUMHCL-UHFFFAOYSA-N 450.536 2.214 30 10 JEEE C=CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1359339572 JXISDUNTDZRAER-UHFFFAOYSA-N 483.598 2.468 30 10 JEEE CC(C)NC(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1360265404 CJMHCPQMLOOJPL-LJQANCHMSA-N 452.563 2.028 30 10 JEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccc(OCC)cc2C1 1507563851 JJWNBBDNKRYGBR-JOCHJYFZSA-N 487.626 2.376 30 10 JEEE C#CCN(CC#C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1507642315 ISUUPSZNOFRNMK-PKOBYXMFSA-N 459.547 2.054 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccc(N(C)C)c(F)c2)CC1 1507735726 FYUVPNYHAUKYHY-AREMUKBSSA-N 498.603 2.149 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CCc2ccc(S(C)(=O)=O)cc2)CC1 1507742709 OIKNCEYTOSBODY-UHFFFAOYSA-N 485.654 2.479 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1507799016 UXNLZLKWCNDEJK-KNQAVFIVSA-N 483.573 2.045 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc(C(=O)N2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1508000738 DDRJFMNNUOBIAU-LNVKXUELSA-N 475.553 2.233 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)CCN1CCOCC1 1508071883 GMEFMZOMIQPBMX-QGZVFWFLSA-N 458.632 2.202 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1508075967 CGSWZYYXYOIIAP-GOSISDBHSA-N 470.375 2.186 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1508091577 MNHIZSUCRPHMCB-IBGZPJMESA-N 467.530 2.045 30 10 JEEE C=CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1508162980 SQKVPHRRJUVVOT-HSZRJFAPSA-N 470.647 2.334 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1CCN(C)C(=O)OC(C)(C)C 1510153301 DGNGCAVICGTGLI-INIZCTEOSA-N 491.618 2.263 30 10 JEEE CN(C)C(=O)c1cccc(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@](C)(C#N)C2)c1 1516948602 GQUBQQOROBTGAY-GBXCKJPGSA-N 484.626 2.255 30 10 JEEE CN(C)S(=O)(=O)c1ccccc1Cn1c(-c2ccccn2)nnc1N1CC[C@](F)(C#N)C1 1517019842 BFNPFYSWDPYLNE-NRFANRHFSA-N 455.519 2.081 30 10 JEEE N#C[C@@]1(F)CCN(c2nnc(C(=O)Nc3ccccn3)n2CC(=O)Nc2ccc(F)cc2)C1 1521055801 HNZMPDHLRBKNBU-NRFANRHFSA-N 452.425 2.145 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1538976296 KAEWBOUJUAMVBF-SQGPQFPESA-N 459.513 2.041 30 10 JEEE C#CCCCCn1c(C2CC2)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1539068321 STOAFUJNHXFBSA-KURKYZTESA-N 463.604 2.086 30 10 JEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1539072397 QQDCILVVPAXXPR-OAHLLOKOSA-N 465.517 2.006 30 10 JEEE C#CCCCn1c(N2CCN(C(=O)COc3ccc(F)cc3)CC2)nnc1[C@@]1(OCC)CCOC1 1539141233 TVPIMXIEFFTNIR-RUZDIDTESA-N 485.560 2.210 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC(C)(C)C(=O)NCC)CC1 1539428535 SVAWLUROCXWQCO-UHFFFAOYSA-N 465.602 2.065 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCCN2C[C@@H](C)C[C@@H](C)C2)CC1 1539431520 UXULWCYDKWMCNF-FBLLAGFSSA-N 458.651 2.053 30 10 JEEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 1539518080 VIXCVSUJNCQLCG-LJQANCHMSA-N 486.617 2.438 30 10 JEEE C#CCSCCn1c(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)nnc1[C@@]1(OCC)CCOC1 1539530335 FYVFTHVGPSNKCC-VGOFRKELSA-N 465.620 2.400 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C)[C@@H]1CC 1539631649 MPIBRIMENOZPOA-SLHNCBLASA-N 467.636 2.217 30 10 JEEE C=CCC(C)(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1539900533 PEEYQUQLPALUKC-INIZCTEOSA-N 454.641 2.269 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CCC[C@H](C(=O)OC)C1 1540865436 GTNILBLQKUUNRT-LBPRGKRZSA-N 468.377 2.461 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1540866283 IVHYEPBAVUKHFM-OLZOCXBDSA-N 457.959 2.298 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 1540897527 LKJPTEXXDYPSEM-LJQANCHMSA-N 459.616 2.284 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1540900751 GRIHEYCHIRQZMJ-UHFFFAOYSA-N 490.630 2.185 30 10 JEEE CC(C)(C)OC(=O)N1CCC(c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2cccc(C(N)=O)c2)CC1 1541200321 CCJIWJBXQVPPFE-FQEVSTJZSA-N 495.584 2.269 30 10 JEEE CC(C)NC(=O)Cn1c(Cc2cccnc2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1541701638 FDAAUCKHBGVKQL-UHFFFAOYSA-N 472.597 2.372 30 10 JEEE CC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)COC)CC1)NC(=O)OC(C)(C)C 1545962508 DXNNAOCUVLZABW-HXUWFJFHSA-N 497.600 2.415 30 10 JEEE CN(Cc1ccc(C#N)cc1)c1nnc(C(=O)N2CCCC2)n1CCN1CCN(C)C(C)(C)C1 1554149099 DHSHUONJNRIOEZ-UHFFFAOYSA-N 464.618 2.048 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC(C)(F)F)c1 1587693690 WAUMUMKKQHRTFF-INIZCTEOSA-N 465.526 2.282 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@@H]1CC(F)(F)CO1)[C@@H]1CCS(=O)(=O)C1 1588069033 FUFRCCUJQHTKNI-MJGOQNOKSA-N 480.537 2.216 30 10 JEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](c2ccsc2)N(C)C)CC1 1588864593 HDEBWJSPROYCSB-NRFANRHFSA-N 452.632 2.259 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2Cc2cccnc2OCC(F)F)CC1 1588913337 HQOSKDOWXTTYFZ-UHFFFAOYSA-N 481.507 2.393 30 10 JEEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1589053315 NAWXBFQYIPEWTC-RBUKOAKNSA-N 456.616 2.382 30 10 JEEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1CC[C@H](SCC)C1 1589070534 UUSMEUUFSOXVDM-BZSNNMDCSA-N 487.717 2.088 30 10 JEEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCC(NC(=O)C2CC2)CC1 1589109760 JKMRLSXEKRIAFC-UHFFFAOYSA-N 472.640 2.131 30 10 JEEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@H](CC(N)=O)C1 1594692990 MIXHRBRIHJYEDU-KRWDZBQOSA-N 460.604 2.253 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc(-c2cnn(C)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1595114967 BZPABHKOKHMVDV-IBGZPJMESA-N 455.588 2.153 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H]2CCCN2C[C@H]1C 1595648553 FGAVMCCIYBWKFB-WSTZPKSXSA-N 474.631 2.174 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1595820867 ABTRUZJKBODHNG-OAQYLSRUSA-N 471.627 2.255 30 10 JEEE CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](CC(C)C)N(C)C)CC1 1615937626 BEFGCBGLZYPJOC-QFIPXVFZSA-N 466.634 2.051 30 10 JEEE CN(C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCC=CO2)CC1)S(C)(=O)=O 1617788785 HEPNXZSHBWGXOW-FQEVSTJZSA-N 456.572 2.370 30 10 JEEE COc1ccc(Cl)cc1N1CC[C@@H](NC(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)C1 1683818153 DORSCRQWNXMIFP-QGZVFWFLSA-N 457.966 2.373 30 10 JEEE C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@@H]1CCCCC1(F)F)[C@H]1CCS(=O)(=O)C1 1689979788 HGYFLNSAXRFZFX-BZSNNMDCSA-N 474.574 2.454 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC1(CS(C)(=O)=O)CC1 1690043132 QADLWBHNYBAVND-UHFFFAOYSA-N 462.579 2.419 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCNC(=O)c2cccs2)CC1 1690117755 UEAXECIKQXZHTC-UHFFFAOYSA-N 480.594 2.209 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1690119923 YGKWUEPQUHYZQG-QFIPXVFZSA-N 480.613 2.412 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2Cc2ccc(C(=O)NCC)cc2)CC1 1690150812 WBVIJOIQILQWKO-UHFFFAOYSA-N 485.592 2.028 30 10 JEEE C#CCSCCn1c(N2CCC(N3CCN(CC)C3=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1690185606 AXOOGAJKHOVARO-XMMPIXPASA-N 490.674 2.411 30 10 JEEE C=C(Br)Cn1c(-c2ccccn2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1690224106 BHAADGQSDGGWTK-UHFFFAOYSA-N 455.382 2.157 30 10 JEEE C=C(C)COCCn1c([C@H]2CCCCO2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1690311318 HPOMEVGISKHOAI-LJQANCHMSA-N 455.625 2.363 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CCO[C@@]2(CCOC2)C1 1690667212 VFZJVFZSHLYZOT-FQEVSTJZSA-N 462.348 2.006 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCC(S(=O)(=O)CC)CC1 1690720448 JTWQWEBWSSWNFE-UHFFFAOYSA-N 466.629 2.258 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(Cc1ccccc1F)C1CC1 1690724544 RKVWXEAWNRORIQ-KRWDZBQOSA-N 482.603 2.089 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](C(C)C)C1 1690729513 OMEJQNKBHGFVGZ-HXUWFJFHSA-N 459.572 2.191 30 10 JEEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1690739964 FAFLHGNMLGULOA-UHFFFAOYSA-N 472.663 2.169 30 10 JEEE CC(C)Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCCN1CCCCC1=O 1692213198 DQHXWQIPJUQKOK-UHFFFAOYSA-N 450.591 2.472 30 10 JEEE CN(Cc1nccs1)c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)N1CCSCC1 1696725040 GBBBCAZXSVTWHZ-UHFFFAOYSA-N 489.652 2.288 30 10 JEEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H](c1ccc(C)cc1)N1CCOCC1 1705574617 IRHWLJRCGNVUKB-SHQCIBLASA-N 477.609 2.385 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2Cc2cc(F)cc(OC)c2)CC1 1705648097 NOONSWUMOAHGGK-IBGZPJMESA-N 455.534 2.334 30 10 JEEE C=CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1705886860 GVVZFNVYHNLKEA-MRXNPFEDSA-N 489.577 2.296 30 10 JEEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(C)c1cc(OC)cc(OC)c1 1705901633 RHCYCBRZYNVMKC-UHFFFAOYSA-N 454.487 2.093 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCC(=O)NC(C)C)C1 1705925907 VVSCGAPQPXBWSK-RBUKOAKNSA-N 492.621 2.283 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Br)s2)nnc1N1CC(=O)N(C)[C@H](C)C1 1705931025 CFDSDLAEHSQSRN-GFCCVEGCSA-N 488.433 2.037 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(Cl)c(F)c1 1705936139 KOXLCDFTSWJFQB-OAHLLOKOSA-N 491.010 2.210 30 10 JEEE CC(C)CO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCN(C)C2)C1 1706530995 AAMJHUYVPRHTCD-QPPBQGQZSA-N 454.575 2.047 30 10 JEEE CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2cccnc2)CC1 1708632988 HUMYXBZPHPYVIL-HXUWFJFHSA-N 472.597 2.491 30 10 JEEE CCCNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CC2)C1 1709811600 HMEAPZMNMLULPF-IBGZPJMESA-N 470.599 2.137 30 10 JEEE COC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2CCN(C(C)=O)CC2)C1 1711430978 GXOCLLFSTJTKEC-NRFANRHFSA-N 450.543 2.465 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1722287410 PIFBRWOCXLUFGS-YYWHXJBOSA-N 452.584 2.479 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2CC(F)(F)CO2)c1 1722305438 AHTNVCFNMAWGSP-DSKINZAPSA-N 489.523 2.483 30 10 JEEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H](C(CC)CC)N1CCOCC1 1722347649 LKJIMQKVPYMOCF-JOCHJYFZSA-N 463.590 2.127 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCc1nccs1)[C@@H]1CCS(=O)(=O)C1 1722363059 QLCKNORRYJMEJR-QGZVFWFLSA-N 457.581 2.280 30 10 JEEE C#CCN(c1nnc(-c2cc(C)nc3ccccc23)n1CC[S@](=O)CC)[C@H]1CCS(=O)(=O)C1 1722364570 LWBJLCNPCLLLIN-HYHKQLJDSA-N 485.635 2.197 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@@H]1CCS(=O)(=O)C1 1722377391 ZBUCUXCKPQONRF-HNNXBMFYSA-N 477.384 2.224 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cc2ccccc2o1 1722397824 VLARGPACVBDUBM-QFIPXVFZSA-N 481.578 2.063 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@]1(O)CCC[C@H]1C 1722417784 SRSDPQNHTXUJTN-JLHGSKIFSA-N 463.579 2.218 30 10 JEEE C=C(Cl)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1722545546 IEDFXHMDCLTUSB-KKSFZXQISA-N 482.006 2.332 30 10 JEEE C=CCCOCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C(=O)NC)CC1 1722629585 MEIZMGNTAWLLMA-LJQANCHMSA-N 492.621 2.142 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCCN(Cc2noc(C)n2)CC1 1722725354 KGQXPFITGFWNJD-UHFFFAOYSA-N 485.614 2.258 30 10 JEEE C[C@@H]1CCCN(CCn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N2CC[C@](F)(C#N)C2)C1 1726577631 GPXWNKXZTKGRLS-JPYJTQIMSA-N 489.621 2.369 30 10 JEEE CC[C@H](C)[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C#N)cn2)CC1)OC 1726839750 HVYCIISJIBQEFF-PKOBYXMFSA-N 454.579 2.071 30 10 JEEE CCS(=O)(=O)NCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@@H](C)CC#N 1729224840 DZGXHCKBZJYYSL-IRXDYDNUSA-N 483.639 2.070 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccc(C)n3)n2CCCN2CCOCC2)c1 1740563004 PSTDNCPIJSOLDS-UHFFFAOYSA-N 473.581 2.427 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@](C)(OC)C2CC2)c1 1740564708 VMVHSLBFSJIWGU-UUOWRZLLSA-N 485.610 2.052 30 10 JEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(=O)c2ccccc2C)CC1 1740567716 VFHHWZFMCQJQBY-IBGZPJMESA-N 486.642 2.399 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CCC[C@@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1740617588 UBBGKPHNDPFTMH-DPLHUUCSSA-N 494.658 2.295 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1CCN(CC)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1740622544 ZHULZYCJYWMPAR-SFHVURJKSA-N 488.614 2.224 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCSC1(C)C)[C@H]1CCS(=O)(=O)C1 1740627260 OXDSXJWQBWJWTM-SQNIBIBYSA-N 452.646 2.331 30 10 JEEE C#CCN(c1nnc(COCC)n1CC1(c2ccccc2)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1740627702 JKLIZRALLCWHNP-OAQYLSRUSA-N 472.611 2.190 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1740750173 NHOVSBSLRNEERK-QYZOEREBSA-N 460.579 2.210 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCS[C@H](C(C)C)C1 1740750425 BTPGYBUZXBAEII-MHORFTMASA-N 457.666 2.447 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C(=O)NCCCC)CC[C@H]1C 1740810482 CWJDPOKEUMFILN-BRWVUGGUSA-N 458.028 2.454 30 10 JEEE C=CCCCn1c(N2CCN([C@@H](C)C(=O)N3CCCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1740882064 YZVUVBBEAHXFNO-SQJMNOBHSA-N 474.650 2.418 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCC(CC(=O)N(C)C)CC1 1740954896 IKSGGGGTDXUDQR-UHFFFAOYSA-N 461.570 2.490 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C)N(C)Cc2ccccc2)C1 1740979349 CXPXTLYUCYDMEK-KSEOMHKRSA-N 473.643 2.482 30 10 JEEE CC(=O)N1CCN(c2nnc(-c3ccccc3Cl)n2CCN/C(O)=C2\N=CC=CC2=O)[C@@H](C)C1 1741046368 IOXMNWQNENEJGE-OOHXQLJPSA-N 483.960 2.182 30 10 JEEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1748752473 XWWTUXQJCIMMDH-AXHZCLLHSA-N 475.590 2.384 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1OCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1748821055 LQLSCVIJPMGUHP-FPOVZHCZSA-N 483.594 2.171 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCO[C@@H]1CCOC1 1748869005 PYXINKPXNCCXLW-HXUWFJFHSA-N 484.626 2.205 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCNC(=O)C1CC1 1748890682 TUVONPBRDOAQNR-HXUWFJFHSA-N 468.602 2.382 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)C1CCN(CCn2cccn2)CC1 1749116069 ZLEQNXJKBJEFGA-IFMALSPDSA-N 484.649 2.195 30 10 JEEE C=C(Cn1c(N2CCN(CCOC)C(=O)C2)nnc1[C@]1(OC(C)C)CCOC1)c1ccccc1 1749247239 NRQNFLRZPPOSRP-VWLOTQADSA-N 469.586 2.327 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1749656008 XCPHFCCWGAYSFJ-UHFFFAOYSA-N 497.003 2.281 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C(=O)OCC)CC1 1749725146 QUFXJBGEYVVZRI-UHFFFAOYSA-N 467.979 2.478 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC(O)(c2ccccc2)CC1 1749729525 MMOQOGSPCBBKJQ-UHFFFAOYSA-N 453.568 2.429 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCN(c2ccc(O)cc2)CC1 1749736809 PTUAQOSGCMVUTK-UHFFFAOYSA-N 488.639 2.267 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CC[C@@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1760182396 FGUAPVQQXGIHAQ-RTWAWAEBSA-N 453.568 2.403 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@H](CC)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1760183753 DIKJIFSHNHYPTN-VQTJNVASSA-N 471.627 2.455 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1CCCSc1nccs1)[C@@H]1CCS(=O)(=O)C1 1760189287 HAVSLPQOEGEEIP-MRXNPFEDSA-N 451.643 2.496 30 10 JEEE C#CCN(c1nnc(CCCc2ccccc2)n1C[C@](C)(O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1760191784 NEPPSMOPLDSVJJ-QPPBQGQZSA-N 456.612 2.241 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2CCC(=O)N2CCCCC2)CC1 1760267435 LUFBKWKGQZUOCM-UHFFFAOYSA-N 478.597 2.322 30 10 JEEE C=CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@](C)(C(=O)NC)C1)c1ccccc1 1760418349 QYUPWHORLKBVTR-GWJPWWOOSA-N 474.631 2.211 30 10 JEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 1760510167 IRKBKLZNNOFQIE-ROUUACIJSA-N 485.969 2.167 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCCc1ccccn1 1760522574 WVIGADRPEYVPMM-HXUWFJFHSA-N 499.616 2.353 30 10 JEEE Cc1cccc(-c2nnc(N(C)Cc3cccc(C#N)c3)n2CCS(=O)(=O)NC(C)C)n1 1761914194 GCESSIIQKJFEKH-UHFFFAOYSA-N 453.572 2.484 30 10 JEEE CCOC[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1768041401 CKIHZAKKZBLUNQ-VQTJNVASSA-N 488.614 2.016 30 10 JEEE COc1cc(Cl)ccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1 1769882254 BSAUJHVIFNAXEW-ZDUSSCGKSA-N 452.968 2.339 30 10 JEEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccc(F)cc1F 1862606883 BTNRZFXLIIBCRR-HXUWFJFHSA-N 458.417 2.450 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCNC(C)=O)[C@@H]2c2ccc(O)c([N+](=O)[O-])c2)cc1F 1862643707 TUFRDOFUUTZOSW-LJQANCHMSA-N 473.413 2.163 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCNC(C)=O)[C@H]2c2ccc3c(c2)OCCO3)cc1F 1862644850 VBLBYCDBBWVANQ-NRFANRHFSA-N 470.453 2.320 30 10 JEEE C=CCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccn2)[C@@H]1c1cc(OC)c(O)c(OC)c1 1864955430 NOYIDUMQQDUHBG-IBGZPJMESA-N 463.494 2.295 30 10 JEEE N#Cc1c(NC(=O)COc2cccc3c2C(=O)N(CCN2CCOCC2)C3=O)sc2c1CCC2 1865832707 CYTRABGXJONTKQ-UHFFFAOYSA-N 480.546 2.054 30 10 JEEE COCCc1nnc(SCC(=O)NCc2ccco2)n1/N=C/c1cc(OC)c(O)c(OC)c1 1874471559 VXFRSMGJXWVFRU-FOKLQQMPSA-N 475.527 2.074 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CC[S@](=O)(=NC(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)C1 2255847648 RAXZYKLIMJUKHR-WAJSEHEASA-N 454.354 2.484 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1S(=O)(=O)N1CC(NC(=O)OC(C)(C)C)C1 2255933716 RGNYRYMXDWGDKI-UHFFFAOYSA-N 452.382 2.192 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)[C@H]2C[C@H](B3OC(C)(C)C(C)(C)O3)C2)[C@H](S(C)(=O)=O)C1 2267122748 OGFAEHUSWGDGJH-YHUYYLMFSA-N 472.413 2.008 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)c2csc(B3OC(C)(C)C(C)(C)O3)c2)C[C@H]1CO 2267277488 PXAMNDDJXLZSFQ-JKSUJKDBSA-N 466.409 2.395 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H]1CON(C(=O)OC(C)(C)C)C1 2267362648 VYWQLALLRWVOON-INIZCTEOSA-N 468.381 2.123 30 10 JEEE CN(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)n1 2268633382 RVGHUJDURYCTOK-CQSZACIVSA-N 468.791 2.428 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1NC(=O)[C@@H](CNC(=O)OC(C)(C)C)OC 2268639316 NOJGSAHBQCZGGV-QGZVFWFLSA-N 450.341 2.473 30 10 JEEE CC(C)(C)OC(=O)N[C@H](C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)[C@H]1CC=CCC1 2268712245 VZUMWFCYXJZVPF-KBPBESRZSA-N 464.397 2.447 30 10 JEEE CC1(C)OB(c2sccc2CS(=O)(=O)N[C@H](COCc2ccccc2)C(=O)O)OC1(C)C 2269025888 GDQPRULKHDXSDO-QGZVFWFLSA-N 481.401 2.137 30 10 JEEE CC(C)(C)OC(=O)NC[C@]12CN(C(=O)c3coc(B4OC(C)(C)C(C)(C)O4)c3)C[C@H]1CCO2 2281817549 NRJGJKHFLWVYGY-MWTRTKDXSA-N 462.352 2.335 30 10 JEEE Cn1ncc(C(=O)N[C@H]2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)c1B1OC(C)(C)C(C)(C)O1 2281828369 JNJIAXZEFKKNOC-ZSHCYNCHSA-N 460.384 2.095 30 10 JEEE CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1CCNC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2281979614 OMHQSOKAYREHRD-CYBMUJFWSA-N 470.326 2.474 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C)n1 2282043534 KCGFEBFJXLAVFP-GFCCVEGCSA-N 476.305 2.295 30 10 JEEE Cc1c(C(=O)N2CCCN(C(=O)OC(C)(C)C)[C@H](C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282059270 HBWASRPXCDLDCD-OAHLLOKOSA-N 462.400 2.499 30 10 JEEE COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)N1CC[C@@](C)(NC(=O)C(F)(F)F)C1 2282527578 FGSBJVISLGUAMY-HXUWFJFHSA-N 456.270 2.278 30 10 JEEE Cn1ncc(C(=O)NCC2(C)CCN(C(=O)OC(C)(C)C)CC2)c1B1OC(C)(C)C(C)(C)O1 2282568290 AGUOZSPKLQKLNJ-UHFFFAOYSA-N 462.400 2.486 30 10 JEEE CO[C@H]1C[C@@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)c(C)n2)N(C(=O)OC(C)(C)C)C1 2283957589 QKBWLMDVGKNGTH-HOCLYGCPSA-N 462.356 2.047 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@H](C(=O)Nc3ccc(B4OC(C)(C)C(C)(C)O4)cn3)[C@@H]2C1 2284017181 DPXOWVKWBGGBIG-ULQDDVLXSA-N 459.352 2.201 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H](C(=O)O)[C@@H](C)OCc2ccccc2)n1 2284475018 RHTICPFEAXAPLS-VQIMIIECSA-N 454.332 2.478 30 10 JEEE COc1ccc(OC)c([C@H]2C(=C(O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN(C)C)c1 2296557193 XQOOMYQSDUPOHO-QFIPXVFZSA-N 468.506 2.458 30 10 JEEE CC#CCN(CC(=O)N1C[C@@H](NC(=O)OC(C)(C)C)CC[C@H]1C(=O)O)C(=O)OC(C)(C)C 2316057869 QWBPANAKWJDRAN-HOTGVXAUSA-N 453.536 2.216 30 10 JEEE CN(C)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1Oc1cc(B2OC(C)(C)C(C)(C)O2)c(F)cn1 2345740163 ZYFCVEZSNFMSNR-IAGOWNOFSA-N 451.348 2.448 30 10 JEEE Cn1cc(C(=O)N[C@@H]2C[C@@H]3C[C@H]2CN(C(=O)OC(C)(C)C)C3)nc1B1OC(C)(C)C(C)(C)O1 2359267084 ODMWRBBEGVZXLH-HRCADAONSA-N 460.384 2.095 30 10 JEEE Cc1c(C(=O)N[C@@H]2C[C@H]3C[C@@H]2N(C(=O)OC(C)(C)C)C3)nn(C)c1B1OC(C)(C)C(C)(C)O1 2359527443 OUOAXYBIIIQLMT-XHSDSOJGSA-N 460.384 2.155 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCCC2(CNC(=O)OC(C)(C)C)CC2)n1C 2362488772 ANVIQVHQRLFCAS-UHFFFAOYSA-N 462.400 2.453 30 10 JEEE C/C(=N\Nc1nc(SCC(=O)NCc2nnc(C(C)C)o2)n[nH]1)c1ccc([N+](=O)[O-])cc1 59880007 PQGLDKHLBOBTSY-SRZZPIQSSA-N 459.492 2.464 30 10 JEEE CC(=O)Nc1ccccc1NC(=O)CCSc1n[nH]c(N/N=C/c2c(C)nn(CCO)c2C)n1 59888219 NOMSXEVKFQXGPP-WSDLNYQXSA-N 485.574 2.136 30 10 JEEE Cc1nn(-c2ccccc2)c(N2CCOCC2)c1/C=N/Nc1nnc(SCC(=O)NC(C)C)[nH]1 253566926 JNQYHKRCUZBQRA-YDZHTSKRSA-N 483.602 2.198 30 10 JEEE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 704294304 GASGJWMZFKHHOK-UHFFFAOYSA-N 499.398 2.445 30 10 JEEE C#CCN(C(=O)C1CCN(C(=O)c2ccc(OC)c3ccccc23)CC1)[C@H]1CCS(=O)(=O)C1 729331774 HCUGQKBNAFECFV-IBGZPJMESA-N 468.575 2.350 30 10 JEEE C#CCN(C(=O)c1ccc(-n2ncc(C(=O)OCC)c2C(F)(F)F)cc1)[C@H]1CCS(=O)(=O)C1 729334278 LHSLUPSJKYWFCP-INIZCTEOSA-N 483.468 2.330 30 10 JEEE C=C(C)Cn1c(SCC(=O)N2CCN([C@@H](C)C(=O)NC3CC3)CC2)nnc1-c1ccco1 1136126292 SXSXJRCVOKROPW-INIZCTEOSA-N 458.588 2.018 30 10 JEEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@H](CO)Cc2ccccc2C(F)(F)F)c1 1150031499 ZCUFSOFMAIROBF-OAHLLOKOSA-N 454.470 2.198 30 10 JEEE N#Cc1ccc(CN2CC[C@@H](NC(=O)N[C@H]3CCN(CCCc4ccccc4)C3=O)C2=O)cc1 1229852306 CCYKAQIPICGEMY-XZOQPEGZSA-N 459.550 2.192 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CCOCC(F)F)[C@@H]1CCS(=O)(=O)C1 1286388639 SUEPCEGCZJXPMF-GOSISDBHSA-N 452.527 2.416 30 10 JEEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C)Sc1ccccc1)[C@H]1CCS(=O)(=O)C1 1286390012 VECCKSKQCTULDL-LNLFQRSKSA-N 473.624 2.037 30 10 JEEE C#CCN(c1nnc([C@H]2COc3ccccc3O2)n1CCCN(CC)CC)[C@H]1CCS(=O)(=O)C1 1286391086 CLFWCDLAWRHODK-SIKLNZKXSA-N 487.626 2.149 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1cnn(CCOC)c1 1286415484 CSCBQYCHKYMDNV-FQEVSTJZSA-N 467.574 2.314 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CCN(C(=O)OC(C)(C)C)C2CC2)CC1 1286478791 CLSYWWZXPVGEKG-IBGZPJMESA-N 458.607 2.327 30 10 JEEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](C)Oc2ccc(Cl)cc2)CC1 1286483243 DHXSUFYCXDNHLV-GOSISDBHSA-N 456.978 2.277 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCc2c(C)cccc2C)CC1 1286485567 QDXDDTZPQNJCRS-UHFFFAOYSA-N 450.587 2.242 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)CCS(C)(=O)=O 1286550121 ZITLGYCFXSIVMX-HKUYNNGSSA-N 496.033 2.324 30 10 JEEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1286600725 DCUBSKPGVOTAAO-UHFFFAOYSA-N 480.573 2.445 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@](O)(Cc2cccc(Cl)c2)C1 1286781624 VVRNTXPZILZRNU-XMMPIXPASA-N 495.971 2.065 30 10 JEEE C=CCNC(=O)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC(CC(=O)N(C)C)CC1 1286790854 YMWZEAMOJASBAO-UHFFFAOYSA-N 463.586 2.347 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3ccccc3n2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1286816757 MYRYKNZFEJUFMO-SFHVURJKSA-N 489.623 2.108 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC(O)(Cc2ccccc2F)CC1 1286821044 YYHICZPWODWUPH-IBGZPJMESA-N 478.590 2.096 30 10 JEEE CC(C)C[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCc2nn(C)c(=O)cc2C1)N(C)C 1287338453 HWFFKEUDHDRVTO-OAQYLSRUSA-N 490.612 2.361 30 10 JEEE C[C@@H](CNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)Oc1ccccc1Br 1294406176 FCUHQXCIQMCMNQ-ZDUSSCGKSA-N 452.330 2.183 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCNC(=O)Cc1cccc(F)c1 1300307807 IRNHPFHGNPNVTP-LJQANCHMSA-N 490.587 2.408 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H]1CC(F)(F)CO1)[C@H]1CCS(=O)(=O)C1 1300488568 FITMLYUCJLGHBL-RDJZCZTQSA-N 496.536 2.013 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(Br)c[nH]2)n1CC(=O)NCc1ccco1 1300559068 IPFQSNJRIYTOAI-UHFFFAOYSA-N 455.316 2.408 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCc2cccc(C(N)=O)c2)CC1 1300718104 ATSVHMJTITWXHD-UHFFFAOYSA-N 491.983 2.301 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2cccc(COC)c2)CC1 1300731092 BJRWOOGONKQJGR-GOTSBHOMSA-N 481.597 2.163 30 10 JEEE C#CCSCCn1c(N2CCN(C(C)=O)C[C@@H]2C)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1300777786 CTLLUBVTBQWZQP-YTQUADARSA-N 476.647 2.472 30 10 JEEE C=C(Br)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(CO)CC1 1300829371 ARUVIRZGRDPJCR-UHFFFAOYSA-N 455.378 2.466 30 10 JEEE C=C(Br)Cn1c(Cc2ccccn2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1300851602 VYSOCJMBJQJMKR-JXFKEZNVSA-N 488.434 2.161 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN1CCOCC1(C)C 1300906216 KJRKGXRXFZWFKD-UHFFFAOYSA-N 451.579 2.434 30 10 JEEE C=C(C)COCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1300979849 HJAATJHQJYLJGE-UHFFFAOYSA-N 458.588 2.175 30 10 JEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2c(F)cccc2OC)CC1 1301257687 CROKXKQEVSJJIY-SFHVURJKSA-N 493.605 2.247 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCCN2CCC(C)CC2)C1 1301557172 NDBLTBFFXWTXQG-NHCUHLMSSA-N 465.664 2.474 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H](C(=O)NC)C1 1301576252 BVLUJNUVBUDCOO-INIZCTEOSA-N 451.980 2.162 30 10 JEEE N#Cc1c(F)cccc1N1CCN(c2nnc(-c3ccccn3)n2CC(=O)NCC(F)(F)F)CC1 1302981891 ACNVFYUHKXJSOR-UHFFFAOYSA-N 488.449 2.356 30 10 JEEE CC(C)n1nc(-c2nnc(N(C)[C@H](C)CC#N)n2CCN2CCCS2(=O)=O)c2ccccc2c1=O 1303635379 FDVWWUWVCMLAII-QGZVFWFLSA-N 498.613 2.010 30 10 JEEE CCn1cccc(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)C[C@@H]2CCN(C(C)=O)C2)c1=O 1313847027 DRAWCKCALTUKAN-FQEVSTJZSA-N 459.554 2.351 30 10 JEEE COc1ccccc1Cc1nnc(N2CCC(CC#N)CC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1315621265 DGUFHXCPEAGXNN-IBGZPJMESA-N 472.615 2.289 30 10 JEEE COC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(S(C)(=O)=O)CCCC2)CCO1 1315934104 HBIJRHJDBXVJTK-LJQANCHMSA-N 459.572 2.026 30 10 JEEE COCCN(CCC#N)c1nnc(-c2ccc3ccccc3n2)n1C[C@H]1CCS(=O)(=O)C1 1316098631 FNMLPHDHWDGFSY-QGZVFWFLSA-N 454.556 2.294 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2CC(=O)NCC(F)(F)F)CC1 1359030330 SZKWIDZAMMRIEZ-KRWDZBQOSA-N 494.518 2.251 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCCO[C@H]2C(C)C)CC1 1359038080 JTXHXUJBPXIXPT-UGKGYDQZSA-N 470.643 2.476 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@]2(C)CCCS2)CC1 1359048295 LFJNWSFWTMCLCU-YDHSSHFGSA-N 461.632 2.254 30 10 JEEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(N(C)C(=O)OCC)CC1 1359062662 OWZOZWWNGZUUGT-HKUYNNGSSA-N 465.620 2.426 30 10 JEEE C=C(C)COCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1359131104 HYJCBRBWTQZAOW-GOSISDBHSA-N 489.646 2.326 30 10 JEEE C=CCC(C)(C)Cn1c(N2CCN(C(=O)N3CCOCC3)CC2)nnc1[C@]1(OCC)CCOC1 1359192778 NZBFWLBYYGSGBM-DEOSSOPVSA-N 476.622 2.107 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCC(F)(F)C1 1359298791 MDOMGQHPDAVDHR-UHFFFAOYSA-N 457.485 2.384 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCS[C@@H](C)C1 1359298864 OADZWMXVHXPLEB-INIZCTEOSA-N 467.599 2.480 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)CCS(C)(=O)=O 1359328728 MSTZKUZRWCXURC-UHFFFAOYSA-N 481.427 2.334 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1359330682 ZHAJJUOCGSDMSO-PBHICJAKSA-N 465.963 2.134 30 10 JEEE CC(C)(C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1359550484 DTZIFDCGIOIGHM-MSOLQXFVSA-N 451.531 2.056 30 10 JEEE C[C@H](Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@H](C#N)C1)N(C)C1CC1 1360530662 CXCVZLJNUVPPMS-DNVCBOLYSA-N 457.966 2.073 30 10 JEEE CO[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2C#N)CC1)C(C)(C)C 1503983551 CICSBFVGQQRFMW-FPOVZHCZSA-N 486.642 2.440 30 10 JEEE COCCN1C[C@@H](Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)[C@@H](C)CC#N)CC1=O 1504901699 GOQZOJIPORBVEA-KBPBESRZSA-N 464.368 2.269 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)(C)C)n2C[C@H]2CCN(S(C)(=O)=O)C2)c1 1507550174 HGVDRLBYWRCRNZ-IBGZPJMESA-N 486.642 2.204 30 10 JEEE C#CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCc2nn(C)c(=O)cc2C1 1507592434 RXCDINBPENKWPD-GOSISDBHSA-N 481.601 2.462 30 10 JEEE C#CCN(c1nnc(C2CCC2)n1C[C@@H](C(CC)CC)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1507632034 IKJILQJUWTWDJF-YADHBBJMSA-N 477.675 2.309 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(OC)ccc2Br)n1CC(=O)NCC(F)F 1507644129 AFTGFDVJYWHMPA-UHFFFAOYSA-N 466.286 2.170 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1CN1CCCCC1 1507712904 SRHUARFZEYYLMK-QFIPXVFZSA-N 450.587 2.349 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2ncccc2N(C)C)CC1 1507717382 AGBIMTYTDXLADO-UHFFFAOYSA-N 469.391 2.300 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2CCCN2C[C@H](C)O[C@H](C)C2)CC1 1507724079 GCVYXYCUBCHPBD-ZRZAMGCNSA-N 450.631 2.432 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2cc(C(C)(C)C)no2)CC1 1507733767 LPMDTFHTKRMBKN-UHFFFAOYSA-N 483.617 2.496 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC[C@@H]2COCCO2)CC1 1507742836 RQGOJHGFNNWCEA-OAQYLSRUSA-N 471.989 2.294 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)C1CCCC1 1507797534 LWRCWROFQXHIAJ-SXLOBPIMSA-N 467.636 2.361 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCN(c2ccnc(C)n2)CC1 1507808173 TYODXTXJKLGVON-CBQOVEMMSA-N 471.606 2.408 30 10 JEEE C=CC1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1507903577 SGBXGAUKPFNENV-RBUKOAKNSA-N 495.646 2.424 30 10 JEEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)CC2CCCC2)CC1 1507962691 VWASNNKCUJEKOW-FQEVSTJZSA-N 458.607 2.441 30 10 JEEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCC2(C1)OCCO2 1507973267 XNZWXEWFACMYSR-KRWDZBQOSA-N 461.588 2.361 30 10 JEEE C=CCN(CCOC)c1nnc(C(=O)NC(C)C)n1C[C@@H]1C[C@@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1508036839 ROWNQSDQGQJDPE-CEXWTWQISA-N 492.621 2.080 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC[C@H](C(=O)NC)C1 1508075721 ZKKDSBQQOLJUQV-HOTGVXAUSA-N 456.616 2.396 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCc1ccccc1OC(F)F 1510187939 AZPDSFVHGSXMMK-YJYMSZOUSA-N 472.493 2.174 30 10 JEEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@H]1CCOC[C@H]1OC 1539172454 ZVGVDIIAFCPZEM-FXAWDEMLSA-N 450.543 2.357 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1Cc1ccc(N2CCOCC2)c(F)c1)[C@H]1CCS(=O)(=O)C1 1539203288 OXQRQGHVWDSRBA-QUCCMNQESA-N 489.617 2.442 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1ccc(OC(C)(C)C)nc1)[C@@H]1CCS(=O)(=O)C1 1539223096 ZCZMZCAALGJBCA-WOJBJXKFSA-N 487.626 2.419 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H](C)CN1CCOCC1 1539283955 DEQWCKWHBVLPNO-PCCBWWKXSA-N 470.618 2.090 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnn(C)c2)n1C[C@H](C)N1CCN(CC)CC1 1539390527 QPJKLGWUCZYTQP-FQEVSTJZSA-N 464.593 2.484 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H]2CC(F)(F)CO2)CC1 1539428583 UBHKJBMMCUZUNT-SFHVURJKSA-N 478.931 2.041 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCC2CCN(CC)CC2)CC1 1539437978 KROAXIDNDLCRCM-UHFFFAOYSA-N 484.670 2.226 30 10 JEEE C=C(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1539688599 KLUCKWVTNVCDAM-MRXNPFEDSA-N 470.530 2.020 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1539917003 QCHBMJCSBGAVSD-QGZVFWFLSA-N 489.602 2.412 30 10 JEEE C=CCCCCn1c(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1539975230 PBRORVXVTHUODL-SQJMNOBHSA-N 474.650 2.418 30 10 JEEE C=CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(C)=O)CC1 1540917247 QRVDEQMALYPUSS-GOSISDBHSA-N 480.635 2.174 30 10 JEEE CC(C)(O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1541246054 AUDHZTFZNKCQTG-KRWDZBQOSA-N 493.033 2.193 30 10 JEEE CCOC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)C(=O)NC)C1 1547810550 HNAPSQRYFBIYHC-SFHVURJKSA-N 453.547 2.304 30 10 JEEE CC(C)Oc1ccc([C@H](CNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)N(C)C)cc1 1556842204 BOHKESSAPJTKCL-FQEVSTJZSA-N 458.584 2.322 30 10 JEEE C#CCN(c1nnc(-c2ccccc2)n1CCCN(C)CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1588045657 OBJZRXXLLDMZFT-SFHVURJKSA-N 469.533 2.456 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CC(C)(C)c1ccccn1)[C@@H]1CCS(=O)(=O)C1 1588064344 GLYVMJAXKNVSPG-HXUWFJFHSA-N 464.595 2.263 30 10 JEEE C#CCN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCS(=O)(=O)CC1CC1 1588459260 QELVDPYQOYTSOL-HDICACEKSA-N 465.620 2.333 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2CCCn2cccn2)CC1 1588762836 NEHVGVHIINYAOO-UHFFFAOYSA-N 457.380 2.088 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CCCS(=O)(=O)c2ccccc2)CC1 1588946684 HIZOZEIZROBRKE-UHFFFAOYSA-N 471.627 2.306 30 10 JEEE C#CCSCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1588984736 KHUPNUYLZQLXCI-NRFANRHFSA-N 482.654 2.360 30 10 JEEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1589088796 IYAIECIXVZTTQZ-FQEVSTJZSA-N 455.628 2.402 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCOC2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1)C(C)C 1595171171 QTLKAFIXHVQRIZ-CLAROIROSA-N 456.635 2.443 30 10 JEEE C#CCN(CC(=O)N[C@H]1CC2(CN(C(=O)OC(C)(C)C)C2)n2ccnc21)C(=O)OC(C)(C)C 1597508860 DJCUEFCXMUDNLA-INIZCTEOSA-N 459.547 2.260 30 10 JEEE CC(C)N(C)CC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCN(C)C2)CC1 1607881534 GVOUIJGFAQVLPM-SANMLTNESA-N 481.645 2.352 30 10 JEEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H](c2c(F)cccc2F)N(C)C)CCOC1 1616260583 DKWJOZRGQISCNW-BTCOZLQPSA-N 476.528 2.240 30 10 JEEE CCOc1ccc(S(=O)(=O)N2CCN(C(=O)Nc3ccnc(C#N)c3)CC2)cc1OCC 1626720515 DHNCDCKEJOOYGC-UHFFFAOYSA-N 459.528 2.289 30 10 JEEE C=C[C@@H]1OCCC[C@H]1NC(=O)c1cc(Br)cc(S(=O)(=O)N2CCOCC2)c1F 1628005889 KUBCHYPIWRNBSU-CABCVRRESA-N 477.352 2.073 30 10 JEEE C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2=O)C1 1638976282 CJAHVKBZUJOYPA-PKOBYXMFSA-N 456.543 2.396 30 10 JEEE COc1ccc(Br)c(CN(C)C(=O)CNS(=O)(=O)c2cccc(C#N)c2)c1 1648713017 DBHLLPPCRIPFPP-UHFFFAOYSA-N 452.330 2.266 30 10 JEEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCOC2(CCOCC2)C1 1689878200 AFFBVMBKQRAMRD-UHFFFAOYSA-N 487.626 2.385 30 10 JEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1689914076 ZVGOKFATQMTMEW-SQNIBIBYSA-N 482.651 2.431 30 10 JEEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C 1689954295 SGCNOVXKQWKWSC-IBGZPJMESA-N 463.546 2.390 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@]1(O)CCSC1 1690101192 RLRYMGWZLZZBPK-DEOSSOPVSA-N 482.610 2.019 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2CCN2CCOC[C@H]2C)CC1 1690119672 NYAVLIZHMWWPRJ-OAQYLSRUSA-N 482.629 2.218 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(OCC(N)=O)CC1 1690241610 VBYILWIKPIRSFH-GAJHUEQPSA-N 485.585 2.414 30 10 JEEE C=C(C)COCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1690315613 HIEDPSTYOYZJKG-JOCHJYFZSA-N 470.593 2.344 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1690343771 CVSDNYKOEPKSGF-LJQANCHMSA-N 451.015 2.449 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccco1 1690609697 XOSGKPQTQRQYMA-LJQANCHMSA-N 461.544 2.080 30 10 JEEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C[C@H]2CCCO2)CC1 1690644434 KNMOTNLPCJAXRO-RTBURBONSA-N 462.595 2.074 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 1690674137 QGOXNRKJFCNQBV-IBGZPJMESA-N 492.628 2.196 30 10 JEEE C=CCNC(=O)Cn1c(N2CCO[C@](C)(CC)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1690678381 UTRPDPCEOSWJQV-SAHWJRBASA-N 462.595 2.356 30 10 JEEE COc1cc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@H]2CCCS(=O)(=O)C2)cc(OC)c1OC 1697252247 HMIDMMNEZHJLIH-IVZQSRNASA-N 493.561 2.238 30 10 JEEE C#CCCCCn1c(N2CCCN(Cc3noc(C)n3)CC2)nnc1[C@@]1(OCC)CCOC1 1705521986 RLLJUUHTLKJTAY-HSZRJFAPSA-N 457.579 2.137 30 10 JEEE C#CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1705523307 NLGUEGHURWAEIW-UHFFFAOYSA-N 486.580 2.381 30 10 JEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H](c1cccs1)N1CCOCC1 1705532121 GQHNZEPFRNORMO-OALUTQOASA-N 477.656 2.165 30 10 JEEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(CN2CCC(O)CC2)cc1 1705575014 VRDQJJMDXZZUKP-MHZLTWQESA-N 477.609 2.008 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCc2sc(C)nc2C)CC1 1705635285 VQUAJDHPVWSUAJ-HSZRJFAPSA-N 458.632 2.390 30 10 JEEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1705729485 ZMLJPYPQUMEXKD-YZZKKUAISA-N 456.547 2.291 30 10 JEEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](CC(N)=O)C1 1705732394 XWDDRZANWPOKMY-QGZVFWFLSA-N 461.588 2.033 30 10 JEEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1705829629 XZVBCGQSXHMHJI-KSZLIROESA-N 460.579 2.125 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C)N2CCC(C)CC2)C1 1705925827 UWJIOFRMSBQTRA-VAMGGRTRSA-N 451.637 2.082 30 10 JEEE CC[C@@H](C)c1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CCS(=O)(=O)N(C)C 1708509399 ANINVWDKUAVBKK-LJQANCHMSA-N 473.647 2.267 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCC1(O)CCC1 1708751145 ACPPIALSXWUMDO-UHFFFAOYSA-N 466.590 2.095 30 10 JEEE CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN(CC)S(C)(=O)=O)C[C@H]1C 1710277756 HABLXUUDDVBMRM-GOSISDBHSA-N 459.620 2.019 30 10 JEEE CN(CCN1CCOC(C)(C)C1)c1nnc(COc2ccc(C#N)cc2)n1CCN1CCCC1 1711219469 BVGQKBVFJJKMTJ-UHFFFAOYSA-N 467.618 2.372 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H]1N(C)CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1722362033 RGFWMXPJYWKXJW-UXHICEINSA-N 456.616 2.087 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1cccc(N(C)C)c1)[C@H]1CCS(=O)(=O)C1 1722363934 CXKSEQPUVIWWBS-QFIPXVFZSA-N 464.595 2.005 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCSC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1722367725 NVMHCJMORPJTCH-UONOGXRCSA-N 452.524 2.052 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCc1cccc(F)c1F)[C@@H]1CCS(=O)(=O)C1 1722368743 VQRYNGRPDSHUPF-QZTJIDSGSA-N 464.538 2.320 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1nnc(C(C)(C)C)s1)[C@@H]1CCS(=O)(=O)C1 1722369452 ZMNULNMPFZBBTB-CVEARBPZSA-N 478.644 2.344 30 10 JEEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccccc1CN1CCCC1=O 1722373301 GXZYKGNFCWGWDS-SANMLTNESA-N 461.566 2.174 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)Nc2ccccn2)n1CC1(O)CCOCC1 1722417599 MTXKNWTYDROBJG-UHFFFAOYSA-N 464.501 2.246 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2Cc2c(CC)nn(C)c2CC)CC1 1722448856 ZVRUIQVUWUOHCZ-JOCHJYFZSA-N 467.618 2.392 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1722484412 VQADKGURTCOYRO-QZTJIDSGSA-N 453.429 2.295 30 10 JEEE C=C(Cl)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCNC(=O)[C@@H]1CC 1722551728 FJMADFNIWACIRU-LSDHHAIUSA-N 454.959 2.054 30 10 JEEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](O)(c2ccc(C)cc2)C1 1722603975 RFKVVAXVJLNEGN-ZJSXRUAMSA-N 489.642 2.374 30 10 JEEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@@H]21 1722629547 LRKIMYDWNLIOQF-MUGJNUQGSA-N 467.636 2.219 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CC(C)(C)C(=O)NC)C1 1722718767 MRTHJEINWLZIRF-IBGZPJMESA-N 468.606 2.006 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1722726876 GLGFBIIBFKXQTD-QAPCUYQASA-N 472.571 2.056 30 10 JEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1Cc2cccc(Br)c2C1 1722730611 XHRCIRXVCQISFJ-UHFFFAOYSA-N 494.415 2.284 30 10 JEEE C=CCSCCn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1722739912 YTKSXUTYJXTFLY-IRXDYDNUSA-N 453.609 2.431 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCS(C)(=O)=O 1723778321 GACBVUNAXKCFMO-JKSUJKDBSA-N 454.597 2.176 30 10 JEEE C#CCCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1740567458 KYQUWRXLYVTVOS-GOSISDBHSA-N 492.671 2.364 30 10 JEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](Oc2ccccc2)C1 1740574857 OGFKXMSJIWMMSL-YADHBBJMSA-N 487.626 2.462 30 10 JEEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCCN1C[C@H](C)O[C@H](C)C1 1740598790 DOUBBBCIXSMTGF-HDICACEKSA-N 458.994 2.430 30 10 JEEE C#CCN(c1nnc(Cn2ccc3ccccc32)n1CCNC(=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1740623740 ABWPETZNNLRCPY-HXUWFJFHSA-N 496.637 2.070 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC1(CCOCC)CCCC1)[C@H]1CCS(=O)(=O)C1 1740628302 XCORLPINUMWJNJ-UXHICEINSA-N 464.632 2.396 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCn1c(C)nc2ccccc21 1740656190 HYBHISHRCFKEPV-HXUWFJFHSA-N 464.595 2.392 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1740751113 HMSPYPSVQYFKCP-PXNSSMCTSA-N 496.678 2.038 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(c2ccccc2C#N)CC1 1740795309 RYXSPYRAJPAPGM-OAQYLSRUSA-N 484.626 2.361 30 10 JEEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1cccn(CC)c1=O 1740893355 HGMIXWVNPFUEFO-UHFFFAOYSA-N 456.572 2.048 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@H](NC(=O)CCC)C1 1740951222 TYLQFMMHIKAAHX-FQEVSTJZSA-N 481.601 2.335 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(=O)N[C@H](C)CC 1748672922 BLXGDGNWMPBAFP-SQNIBIBYSA-N 462.595 2.349 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1Cc1c(CC)nn(C)c1CC)[C@H]1CCS(=O)(=O)C1 1748808207 BGMULWPYHZLDHX-IBGZPJMESA-N 496.637 2.487 30 10 JEEE C#CCN(c1nnc(-c2cc3c(s2)CCCCC3)n1CCC(=O)NC)[C@H]1CCS(=O)(=O)C1 1748809844 WQOGFNQRHYJMPU-KRWDZBQOSA-N 475.640 2.038 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccco1)N1CCCC1 1749054210 PQRPXMBSJAWKEL-NPPFBWRTSA-N 460.604 2.311 30 10 JEEE C=C(Br)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H](C)CC(N)=O 1749104051 KOOOHWYYKICMPM-UONOGXRCSA-N 487.399 2.195 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)c1ccc(OC)cc1 1749488380 JNXRCNQLISCGNR-IBGZPJMESA-N 463.604 2.220 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 1749660909 VZCPSMLJVKFCKD-FQEVSTJZSA-N 472.615 2.078 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@](C)(c2ccccc2)C1 1749721480 LBCGQYWVYCBHDD-DEOSSOPVSA-N 496.593 2.278 30 10 JEEE CC(C)CN1CCO[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H](CC(N)=O)C2)C1 1750844797 CYOAQDDSHZNZJR-IRLDBZIGSA-N 465.602 2.265 30 10 JEEE C#CCCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1760135900 MWNTWPIJEZEKJB-UHFFFAOYSA-N 488.596 2.108 30 10 JEEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1ccc(NC(C)=O)nc1 1760170563 HYRYBSGTKTXHBS-UHFFFAOYSA-N 456.510 2.146 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1(C(N)=O)CCCC1 1760216328 JMYPZLHAFLUPGI-UHFFFAOYSA-N 471.565 2.184 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@@]2(C)CN(C)C2=O)CC1 1760265627 GDUPVZHVPXTBGY-CCLHPLFOSA-N 492.624 2.479 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCO[C@@H]2CCCC[C@@H]2C)CC1 1760268634 NJNKQROFWJCWNF-GHTZIAJQSA-N 453.591 2.240 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCCCN2CCCC[C@@H]2C)CC1 1760271116 MPYOARBKQDHUOF-NRFANRHFSA-N 483.661 2.021 30 10 JEEE C=C(C)COCCn1c(-c2ccc(CC)cc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1760353913 JLJSHXIFRHFXDY-UHFFFAOYSA-N 480.613 2.371 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCc2ccc(O)cc2C1 1760521796 DJNZUIYTPCANOU-FQEVSTJZSA-N 498.584 2.157 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1760526860 VRCBWRSTGSELBU-FQEVSTJZSA-N 475.615 2.180 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN2CCOC[C@@H]2C1 1760532310 RSWKICAIVHJMEA-NRFANRHFSA-N 468.602 2.330 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@]2(N(C)C)CCSC2)C1 1760538935 WULCEJHNSVZMAJ-QIJUGHKUSA-N 451.637 2.149 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1760552873 DMAORYLVZQXONU-UHFFFAOYSA-N 494.625 2.095 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(CCC(C)(C)C)CC1 1760557399 KKJLDIJWBBATDY-UHFFFAOYSA-N 477.679 2.299 30 10 JEEE C=CCSCCn1c([C@H]2CCCO2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1760568743 RJQURIISRYXCCU-HLAWJBBLSA-N 462.664 2.428 30 10 JEEE CC(C)NC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 1761258000 DMUHKVFPTXNQBH-GOSISDBHSA-N 464.530 2.426 30 10 JEEE CC[C@@H](C)c1nnc(N2CCN(c3c(C#N)cnc4ccccc34)CC2)n1CCS(=O)(=O)NC 1763740107 AWIRVSUHJYEBPH-QGZVFWFLSA-N 482.614 2.087 30 10 JEEE CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2nccnc2C)CC1 1764983376 AQHPHVKMGMEFML-UHFFFAOYSA-N 487.612 2.148 30 10 JEEE CN(C)C(=O)CC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCOC2)CC1 1768433132 ARNONEWKWOBOHX-HXUWFJFHSA-N 452.559 2.460 30 10 JEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(Br)cs1 1772564546 BGRNXVWMIAXKCI-CQSZACIVSA-N 476.422 2.106 30 10 JEEE CC(=O)NCCNC(=O)Nc1ncccc1OCC(=O)Nc1sc2c(c1C#N)CCCC2 1858788507 GSAPZSPYKLMWHJ-UHFFFAOYSA-N 456.528 2.169 30 10 JEEE C=CCN(CC=C)c1nc(NC(=O)CCc2ccccc2OC)n([C@@H]2CCS(=O)(=O)C2)n1 1870004761 KJAFAMTWBDDKSG-GOSISDBHSA-N 459.572 2.396 30 10 JEEE COc1cccc(Cn2nnc3c(=O)n(CC(=O)Nc4sc5c(c4C#N)CCC5)cnc32)c1 1870103737 IOJDRFWFCSGUML-UHFFFAOYSA-N 461.507 2.105 30 10 JEEE CCc1ccc(Cn2nnc(C#N)c2NC(=O)CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 1870110984 RGXWPTOPDZOUKW-UHFFFAOYSA-N 473.449 2.293 30 10 JEEE C=CCn1cc(OCc2cnnn2Cc2ccccc2)c(=O)cc1CN(CCOC)CCOC 1870442463 WDPZLXRPCCGFAQ-UHFFFAOYSA-N 467.570 2.348 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCCc2ccc(OC)cc2)cn1C[C@@H](C)O 1870643638 VOFXDMWJIRNTBE-HXUWFJFHSA-N 469.582 2.149 30 10 JEEE C=CCn1c(C(=O)NC[C@@H](c2ccc(O)cc2)N(C)C)cc2c(N3CCN(C)CC3)ncnc21 1873595209 SSCZYQAJZLBLBB-QFIPXVFZSA-N 463.586 2.107 30 10 JEEE COc1ccc(N2C[C@H](c3nnc(SCC(N)=O)n3/N=C/c3ccccc3)CC2=O)cc1 1874199631 SNYFCNOVMRKVOF-UPVZUOOXSA-N 450.524 2.267 30 10 JEEE CC(=O)NCc1nnc(SCC(=O)NCc2ccccc2)n1/N=C/c1cc(C)ccc1O 1874435975 GRRQFJCLKUVWQF-BRJLIKDPSA-N 452.540 2.219 30 10 JEEE COCCc1nnc(SCC(=O)NCc2ccccc2)n1/N=C/c1cc(OC)c(O)c(OC)c1 1874474686 OOSYFYHJZOZDKV-AFUMVMLFSA-N 485.566 2.481 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CC(C(=O)NCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)=C[C@@H]1O 2188035100 YWFDLTKTLWDEHN-MOPGFXCFSA-N 458.364 2.186 30 10 JEEE C[C@H](CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1)NC(=O)OC(C)(C)C 2255746855 ACJCUYOESFKLSQ-CYBMUJFWSA-N 458.361 2.316 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@](O)(CNC(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2255808006 CKEMHGXXNJSQKS-NRFANRHFSA-N 452.382 2.149 30 10 JEEE CC1(C)OB(c2cc(C(=O)NC[C@H]3CN(C(=O)OCc4ccccc4)CCO3)co2)OC1(C)C 2255818596 NHLWXSZLEKDJSA-IBGZPJMESA-N 470.331 2.346 30 10 JEEE CO[C@@H](CNC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1nscc1B1OC(C)(C)C(C)(C)O1 2256623139 BDOYREQXNQBFNZ-JSGCOSHPSA-N 455.386 2.159 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@@H]2NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2267465484 OTARNRIBWDMCEW-OWCLPIDISA-N 484.449 2.475 30 10 JEEE CC(C)(C)OC(=O)N1CC(F)(CNS(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2267708346 INDYTASSWLCJFM-UHFFFAOYSA-N 490.428 2.426 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1COC[C@H]1NC(=O)c1cccc(F)c1B1OC(C)(C)C(C)(C)O1 2281783545 MASWQVGVTRKESG-WMLDXEAASA-N 464.343 2.394 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@]2(CNC(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)C1 2281804713 OSNOYBZEVPTPLO-QMHKHESXSA-N 462.352 2.335 30 10 JEEE Cc1c(C(=O)N(C2CC2)C2CN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281980527 CAVSNULEYWXDJR-UHFFFAOYSA-N 460.384 2.252 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)cs3)C[C@H]2[C@H]1CO 2282059123 FBPNWZNALJQKRC-USXIJHARSA-N 478.420 2.347 30 10 JEEE CN(Cc1ccccc1)CC1CCN(C(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)CC1 2282063479 MGPFVPXZWFCXOE-UHFFFAOYSA-N 453.396 2.099 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](CNC(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CO1 2282172040 RGSXNQZEYWTEPW-MAUKXSAKSA-N 461.368 2.040 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@]2(C[C@@H](NC(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)o3)CO2)C1 2282197425 OJCCOZQAPZIHBD-CMJOXMDJSA-N 462.352 2.477 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N(OCc1ccccc1)C1CNC1 2282494428 YKACXOABNOIJRU-UHFFFAOYSA-N 474.388 2.089 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CN(C(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)[C@@]2(CCOC2)C1 2282517191 QOCXQYUZXUKCOX-PEBXRYMYSA-N 479.408 2.341 30 10 JEEE Cc1nn(C)c(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C)c1B1OC(C)(C)C(C)(C)O1 2282586237 WIHNTPNOOLPEFX-ZBFHGGJFSA-N 462.400 2.403 30 10 JEEE COC1(CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2O)CN(C(=O)OC(C)(C)C)C1 2282883290 YGKLFTWGUOQWRP-UHFFFAOYSA-N 462.352 2.057 30 10 JEEE CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1O 2282884576 PSUANRCDIQZVJG-WMZOPIPTSA-N 462.352 2.056 30 10 JEEE COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1NC(=O)[C@@H]1C[C@H](O)CN1C(=O)OC(C)(C)C 2283966698 YADSATWXASHARG-RDJZCZTQSA-N 462.352 2.303 30 10 JEEE CC(C)(C)OC(=O)N1CC(C)(C)OC[C@@H]1C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2283975842 VLJQOIAZTQXJIS-OAHLLOKOSA-N 481.424 2.473 30 10 JEEE CC(C)(C)OC(=O)N1Cc2[nH]cnc2C[C@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2283980426 ZYRZFBWXYKIHEL-AWEZNQCLSA-N 475.380 2.466 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H]3C[C@@]3(CNC(=O)OC(C)(C)C)C2)n1 2288265457 UASQBMXMACUQDV-IQMFZBJNSA-N 460.384 2.189 30 10 JEEE CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)c1coc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)O 2289797740 IGYBVYGOPLOLGW-HNNXBMFYSA-N 466.340 2.457 30 10 JEEE COc1ccc(N2C[C@H](c3nnc(SCC(N)=O)n3N=Cc3ccc(N(C)C)cc3)CC2=O)cc1 2325880769 KGIZREOKNIMLDD-QGZVFWFLSA-N 493.593 2.333 30 10 JEEE CC(C)(C)OC(=O)NC[C@H](CO)C(=O)N1CCc2scc(B3OC(C)(C)C(C)(C)O3)c2C1 2336500610 CCKMUSHKXMQDQA-CQSZACIVSA-N 466.409 2.065 30 10 JEEE Cn1cnc(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 2362351037 ZUVRNPDPIQFHMG-QKPAOTATSA-N 460.384 2.141 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)CC1(F)F 2362451226 GCXIBNYUXZTYJU-ZDUSSCGKSA-N 470.326 2.094 30 10 JEEE COC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OCC#N)c(=O)n2[C@@H]1c1ccc(O)c(OC)c1 8396591 ZWMDUXIPRLDWIY-WVWKGNOCSA-N 491.525 2.025 30 10 JEEE N#Cc1ccc(OC[C@H](O)Cn2cnc(I)c2I)cc1 312439411 AWCNZTFYNGXPDL-SNVBAGLBSA-N 495.058 2.404 30 10 JEEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CSC[C@H]2C(=O)Nc2ccc(C#N)cc2)cc1 502439029 HYKICCNUJYSUAA-IBGZPJMESA-N 456.549 2.176 30 10 JEEE CCOC(=O)Nc1ccc(NC(=O)[C@H]2C[C@H](O)CN2C(=O)Cc2ccccc2F)cc1C#N 1137704957 ATSVJVFLNKQPQI-FXAWDEMLSA-N 454.458 2.409 30 10 JEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCCN([C@H](C)c3ccc(F)cc3)C2=O)c1 1141377929 FIKIWWRPDLCQHL-IERDGZPVSA-N 457.527 2.219 30 10 JEEE Cc1cccc(CC2(O)CCN(C(=O)C[C@H](C)/N=C3/NS(=O)(=O)c4ccccc43)CC2)c1 1156449372 DGTZPSYMLRBPQN-SFHVURJKSA-N 455.580 2.408 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NS(=O)(=O)c2cccc(Br)c2C#N)C1 1211464098 IEIATLIJIITQIA-SMDDNHRTSA-N 455.334 2.358 30 10 JEEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(CC)CC1)[C@@H]1CCS(=O)(=O)C1 1286385791 ZQEMVNFXWTVKEE-GOSISDBHSA-N 476.624 2.166 30 10 JEEE C#CCN(c1nnc(COc2ccccc2OC)n1C[C@@H]1CCO[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1286394229 HVORICCBESPNHI-VAMGGRTRSA-N 488.610 2.308 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(F)ccc3Br)n2CC[S@](=O)CC)CC1 1286474043 XZLNCMCDZICKBY-MUUNZHRXSA-N 468.396 2.371 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4ccccc4n3)n2C[C@@H](COC)OC)CC1 1286489177 IIVKXUBHFSPCNH-FQEVSTJZSA-N 462.554 2.121 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCNC(=O)c2ccccc2F)CC1 1286492160 DEQBKMIXXXNTRD-NRFANRHFSA-N 482.560 2.055 30 10 JEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1286503912 HCNYBDPBEDMEKI-IRXDYDNUSA-N 462.620 2.289 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1286739984 AJVYLYBECWPBAC-WOJBJXKFSA-N 475.615 2.265 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CCN(c2cnccn2)CC1 1286784633 OKSLBDKQZCZNOI-UHFFFAOYSA-N 483.374 2.126 30 10 JEEE CN(C)CC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1298078956 FCMRXBGJVWOTFS-NRFANRHFSA-N 465.602 2.438 30 10 JEEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 1300428786 NXRWPQZWMBWPRC-NJDAHSKKSA-N 495.690 2.487 30 10 JEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)Nc1ccc(F)cc1 1300466107 ULESGNQXBZLPTF-GOSISDBHSA-N 472.521 2.434 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@H]1CCN(CCC)C1)[C@H]1CCS(=O)(=O)C1 1300504754 RMBWLOFMAXGBLN-PMACEKPBSA-N 489.617 2.355 30 10 JEEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CCCN1c1cnn(C)c1 1300559759 ZHPVYROPKXVIPX-BWKNWUBXSA-N 465.602 2.184 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1OCC[C@H]1C 1300584039 ODSFOTBSBFDQEB-VAMGGRTRSA-N 457.575 2.474 30 10 JEEE C#CCN(CC#CC)c1nnc(COc2ccc(C#N)cc2)n1C[C@H](C)N1CCN(CC)CC1 1300591150 MMSSLDCVGGXCJM-QFIPXVFZSA-N 459.598 2.218 30 10 JEEE C#CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CCC(C(=O)NC)CC1 1300741081 MCPTVSRNVWTMRZ-UHFFFAOYSA-N 465.421 2.375 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1300844758 SFSCIHZMSDOCSK-PWIZWCRZSA-N 495.466 2.460 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cnn(-c2ccccc2)n1 1300848680 HNXWDWDESHIZAE-OAHLLOKOSA-N 492.403 2.306 30 10 JEEE C=C(Br)Cn1c(Cc2ccccn2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1300851605 VYSOCJMBJQJMKR-UZLBHIALSA-N 488.434 2.161 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)NCCC)CC1 1300863440 OEXGOIWQDCSZTN-VQTJNVASSA-N 458.607 2.238 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCN(C(=O)OC)CC2)nnc1[C@]1(OC(C)C)CCOC1 1300897463 RSDUBFORCYFENB-MSYCTHLASA-N 463.579 2.188 30 10 JEEE C=C(C)COCCn1c(Cc2ccccc2OC)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1300993866 KCNRJXSAJZXMJX-XUZZJYLKSA-N 496.656 2.459 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(CC(F)F)CC1 1301500620 NXABLRAGMDKZAO-QGZVFWFLSA-N 497.591 2.082 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2nc3c(s2)CCCC3)C1 1301537844 DOUJJTQXUXFRSD-HZPDHXFCSA-N 480.660 2.248 30 10 JEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H]1c1ccc(OC)cc1 1301585898 GRYLNUIYLQNTLA-HXUWFJFHSA-N 473.599 2.351 30 10 JEEE C=CCSCCn1c(COc2ccccc2OC)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1301621081 QILRUXIVHOXLKM-UHFFFAOYSA-N 486.598 2.306 30 10 JEEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1358936732 WKVFICZFALYUAP-ROUUACIJSA-N 485.589 2.236 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1ccc(N(C)C)cc1C)[C@@H]1CCS(=O)(=O)C1 1358962808 XPMKHEVGUVABRN-IFMALSPDSA-N 471.627 2.222 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1CC1([S@@](C)=O)CCC1)[C@H]1CCS(=O)(=O)C1 1358964807 HSXUEPNRIXADBQ-PKHCJMHPSA-N 474.652 2.105 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1CCCc1c[nH]nc1C)[C@@H]1CCS(=O)(=O)C1 1358965146 OSFLUZBVFFZORY-JOCHJYFZSA-N 466.611 2.468 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CC[C@@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1358966551 RJVWFGXMKKKQOM-SFTDATJTSA-N 483.594 2.315 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCn1cnc2ccccc21 1358994553 PVYFTHBYDBQXDC-IBGZPJMESA-N 450.568 2.083 30 10 JEEE C#CCN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1(N(C)C)CCOCC1 1358999994 JDVXOTDYJSMHQB-UHFFFAOYSA-N 458.994 2.432 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H](c2cccs2)N(C)C)CC1 1359029983 LVTKYQZSLSLSLS-YKSBVNFPSA-N 472.659 2.438 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H]2CC[C@](C)(CC)O2)CC1 1359042177 VSAPFNOXGCVGCL-OPXMRZJTSA-N 473.618 2.244 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCCOc2ccc(OC)cc2)CC1 1359044734 NEPJWZXFSXXQDA-FQEVSTJZSA-N 467.570 2.226 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC)c2)n1CCS(=O)(=O)N1CCSCC1 1359065782 BMLZEOGFXIPOEI-JOCHJYFZSA-N 475.640 2.324 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1359113517 KNSVRBTUIMZXIL-ZWKOTPCHSA-N 463.579 2.066 30 10 JEEE C#CCn1cnc(-c2ccccc2)c1NC(=O)c1ccc(S(=O)(=O)CC(=O)N(C)C)cc1 1434918441 AIDUCAWGHGVTQY-UHFFFAOYSA-N 450.520 2.298 30 10 JEEE CC[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCS(=O)(=O)CC2)C1 1499508032 HNLQUANBOQXUSG-SFHVURJKSA-N 473.599 2.295 30 10 JEEE C#CCCCCn1c(Cc2ccccn2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1507568739 YVKWETVWBCHPSJ-XUZZJYLKSA-N 463.630 2.446 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1CCc1csc(CC)n1)[C@@H]1CCS(=O)(=O)C1 1507629773 PVTJLFTVNASVSA-QGZVFWFLSA-N 458.613 2.172 30 10 JEEE C#CCN(c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H](OC)[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1507634878 QTRMHIFNULFDOR-GPHNJDIKSA-N 488.610 2.478 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1507636857 FCRLDMBYOVSROP-ZVDOUQERSA-N 476.574 2.011 30 10 JEEE C#CCN(c1nnc(COc2ccccc2CC)n1C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1507638489 FXIYZMZRJXTZHJ-UXHICEINSA-N 458.584 2.225 30 10 JEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1CCC[C@H](O)C1 1507641588 HTZJPGCHTJSCPZ-OALUTQOASA-N 454.600 2.171 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1(C(=O)N(C)C)CCCC1 1507651840 DUJIKMMLHAHOGU-UHFFFAOYSA-N 485.592 2.396 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cn4ccccc4n3)n2CCCOC(F)(F)F)CC1 1507740728 XRDIGZPVTGPDES-UHFFFAOYSA-N 489.502 2.409 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OC)n2C[C@@](C)(O)c2ccco2)CC1 1507741621 YBLFKOQZKMUPQU-AREMUKBSSA-N 493.564 2.332 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(c2ccccc2)CC1 1507750832 FVYUXHONMQRGPK-IBGZPJMESA-N 459.641 2.263 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 1507791710 QIQLNSUORUOYJJ-QRFRQXIXSA-N 490.630 2.242 30 10 JEEE C=C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC(=O)NCC(F)(F)F)CC1 1507878054 RKJAVZLNSBMDSJ-UHFFFAOYSA-N 457.478 2.184 30 10 JEEE C=CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21)c1ccccc1 1507924859 UVXYMZAZSXCUMY-FYZZASKESA-N 486.642 2.496 30 10 JEEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(Cn2cncn2)CC1 1508058872 JFLZIKKJLNKVQG-GOSISDBHSA-N 458.567 2.281 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@]2(CCOC2)C1 1508097678 JPOQKIXUBHEVLW-GAJHUEQPSA-N 460.579 2.269 30 10 JEEE CC(C)(Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1)c1cccs1 1508712230 DQZJNJUFJZSBLV-QGZVFWFLSA-N 478.644 2.390 30 10 JEEE N#Cc1cccc(-c2nnc(N3CCC(CCC(N)=O)CC3)n2C[C@H]2CCCS(=O)(=O)C2)c1 1521074851 DDPMMEXQFHCFRH-LJQANCHMSA-N 470.599 2.123 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H]2CCN(c3c(F)cccc3F)C2=O)ccc1F 1525344638 MRGKPAUSBLTRHQ-INIZCTEOSA-N 453.442 2.104 30 10 JEEE C#CCN(C(=O)[C@H]1CCCN(S(C)(=O)=O)C1)[C@@H]1CCOc2ccc(Br)cc21 1529627783 XUBUVPVROYCCGH-WMLDXEAASA-N 455.374 2.406 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2nc(C)c(C)s2)c1 1539042483 GPCLKLTUNSRLIA-GOSISDBHSA-N 498.634 2.358 30 10 JEEE C#CCCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(CC(=O)NC(C)C)CC1 1539058987 LJTBKWIKADEJIZ-UHFFFAOYSA-N 466.586 2.166 30 10 JEEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1539089752 QQESZNZUOHDWDB-KRWDZBQOSA-N 469.546 2.069 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1CC(C)(C)OCC)[C@H]1CCS(=O)(=O)C1 1539205446 IPDPPYYSLSUXKE-SFHVURJKSA-N 476.599 2.404 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1Cc1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 1539211388 IGXYFMNKTNEARO-HXUWFJFHSA-N 498.609 2.149 30 10 JEEE C#CCN(c1nnc(Cn2ccc3ccccc32)n1CCOC(C)C)[C@H]1CCS(=O)(=O)C1 1539230735 PVEXOEVZZDDQMA-FQEVSTJZSA-N 455.584 2.333 30 10 JEEE C#CCN(CC#CC)c1nnc(Cc2ccccn2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1539327506 AMSUQTVYLCOHDK-UHFFFAOYSA-N 468.609 2.312 30 10 JEEE C#CCN(CC)c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CCCS(=O)(=O)C1 1539346109 BAAOKWYXFDVZEP-AWEZNQCLSA-N 454.394 2.330 30 10 JEEE C#CCN1CCN(c2nnc(-c3sc4ccccc4c3Cl)n2CCS(=O)(=O)NC)CC1 1539429763 CHKLJTJQCALPHK-UHFFFAOYSA-N 479.031 2.118 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 1539447829 WWRFXFXRAHMPPW-PMACEKPBSA-N 458.607 2.184 30 10 JEEE C#CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1539496533 AAGHGJOTJYILCL-UHFFFAOYSA-N 463.629 2.086 30 10 JEEE C#CCSCCn1c(-c2ccccc2F)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1539506764 XLARCUAEYNUREH-MRXNPFEDSA-N 451.593 2.216 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)CN1CCCCC1 1539669209 MRRRAZSORPSQLH-WOJBJXKFSA-N 468.668 2.135 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccccc2F)C[C@@H]1C 1539706505 KVXPHJQMJJMLGG-FXAWDEMLSA-N 478.594 2.041 30 10 JEEE C=C(C)Cn1c(N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)nnc1[C@]1(OCC)CCOC1 1539723749 ZTCMCXGAUHEPPE-DEOSSOPVSA-N 472.565 2.406 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(O)CC(OCC)C1 1540146349 DOBHZUWLUFQPAS-ZGGTZUKQSA-N 466.629 2.364 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(OC)CCCCC1 1540170297 MRXIVAMXNKFEEC-GOSISDBHSA-N 453.609 2.139 30 10 JEEE C=CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CC(=O)Nc1ccc(F)cc1 1540199314 YPQNUJYLIXPKNE-UHFFFAOYSA-N 456.478 2.422 30 10 JEEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(=O)c2ccc(Cl)cc2)CC1 1540853896 VCYVSWUUSYOBHK-HNNXBMFYSA-N 466.995 2.080 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2CCCNC(C)=O)C1 1540884903 XMQUGWBTWCTTAO-MRXNPFEDSA-N 451.369 2.354 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(Br)cc1 1540901421 CVQZBEHPDVIDKW-MRXNPFEDSA-N 482.404 2.229 30 10 JEEE C=CCn1nc(C)c(-c2cc(C(=O)NCC[C@@](O)(c3nccn3C)C(F)(F)F)n[nH]2)c1C 1545050490 QPBHGKWBCLRLDB-LJQANCHMSA-N 451.453 2.380 30 10 JEEE CS(=O)(=O)N1CCC2(CC1)CN(c1ccc(C#N)c(C(F)(F)F)c1)C[C@@H]2C(=O)NC1CC1 1548379676 XPBMIDCHBISSNV-GOSISDBHSA-N 470.517 2.334 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)N2CCCN(C(=O)c3cccc(F)c3)CC2)C1 1564530670 HCLOJUIAYSKMJV-MJGOQNOKSA-N 459.522 2.442 30 10 JEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(CC(=O)Nc2ccccc2OC)CC1 1566725657 BLCOIBWOPCZMHW-IBGZPJMESA-N 458.559 2.085 30 10 JEEE C#CCN(C(=O)Cn1cc(S(=O)(=O)N(CC)CC)ccc1=O)[C@@H]1CCCc2ccccc21 1585188886 HSCBFJXJWIXNLI-JOCHJYFZSA-N 455.580 2.418 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H](CC)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1588034542 IIBLBFLFJQIELK-PZJWPPBQSA-N 486.598 2.354 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1cn(CCCCC)nc1C)[C@H]1CCS(=O)(=O)C1 1588053986 JKQNSLPWFBVAQE-FPOVZHCZSA-N 474.631 2.152 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@H](OC)c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1588065458 YWBBCSRNEREYGP-YADHBBJMSA-N 483.569 2.417 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCNC(=O)c2cccs2)CC1 1588768690 JQDDNWDNPBBUNQ-UHFFFAOYSA-N 465.539 2.100 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(Cl)cc2OC)CC1 1588884616 HFDWEAFQMDMGPY-UHFFFAOYSA-N 484.988 2.190 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)cn3C)n2CCN(C)C(C)C)CC1 1588890901 IASLLAUWGIMIDW-UHFFFAOYSA-N 490.450 2.352 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCOCC(=C)C)CC1 1588907781 GFSAZEZSXMWQPG-UHFFFAOYSA-N 465.554 2.275 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2CC2CC(F)(F)C2)CC1 1588961499 AWJIOXUCPJWJKZ-UHFFFAOYSA-N 476.553 2.281 30 10 JEEE C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C(F)F)C1 1589405344 RAZQZJUUOMRIRO-QWHCGFSZSA-N 484.367 2.001 30 10 JEEE C=C(C)COCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1593735789 RNTXZACLHUNDDY-HOTGVXAUSA-N 474.587 2.444 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1595517341 XPQDNIHNXKGPJZ-UHFFFAOYSA-N 461.570 2.348 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(C)nc3ccccc23)nnc1N1CC[C@@](C)(C(=O)NC)C1 1595766809 XWORGEFFRGZNRI-XMMPIXPASA-N 482.610 2.365 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@H](CC)C1 1595789184 OTNYTIUIKADQTR-INIZCTEOSA-N 456.572 2.029 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 1595797125 DWHUIEGCLGLZRO-RTBURBONSA-N 481.663 2.152 30 10 JEEE CC(C)NS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)CCC1CCOCC1 1610269862 HDIIIWZHDIXPJV-UHFFFAOYSA-N 460.604 2.397 30 10 JEEE C[C@H]1C[C@@H](CCn2c(-c3cccc(C#N)c3)nnc2N(C)CC(=O)N2CCOCC2)CCO1 1612679717 FRGSWDRWWMEKHW-OALUTQOASA-N 452.559 2.317 30 10 JEEE CCN1CCN([C@H](C)Cn2c(COc3cc(C)cc(C)c3)nnc2N2CCO[C@@H](C#N)C2)CC1 1615844293 DMXXGTOYYQDQJX-GGAORHGYSA-N 467.618 2.229 30 10 JEEE C=CCOC(=O)Nc1nc2c(s1)C[C@H]1[C@](C)(CC[C@@H](O)[C@@]1(C)CO)[C@H]2CC(=O)NCCN(C)C 1616130961 RSASEUMXQROOAO-KCRKSLTMSA-N 494.658 2.361 30 10 JEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C(=O)OC)c2ccc(C(F)(F)F)cc2)c1 1648243121 VRHUMQQUHRIZJI-KRWDZBQOSA-N 454.426 2.261 30 10 JEEE N#Cc1ccc(O[C@@H]2CCN(S(=O)(=O)c3cc(Br)cc4c3OCC4)C2)nc1 1655495348 CDAZLKDJLOVLDR-OAHLLOKOSA-N 450.314 2.493 30 10 JEEE C#CCN(C1CCN(C)CC1)S(=O)(=O)c1cc2c(cc1Br)CCN2C(C)=O 1666339412 AVBJTDFCFBHXQT-UHFFFAOYSA-N 454.390 2.076 30 10 JEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2ccccc2C)C1 1689892938 QCDHQLARGSWHNW-VXKWHMMOSA-N 487.626 2.301 30 10 JEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CC1(N(C)C)CCOCC1)[C@H]1CCS(=O)(=O)C1 1689982115 IFRWHDXTBQJXPM-FQEVSTJZSA-N 492.045 2.336 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCC(=O)NCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1689984086 KXWGUEIAQFXUFK-HXUWFJFHSA-N 481.578 2.180 30 10 JEEE C#CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H](C)SC)[C@H]1CCS(=O)(=O)C1 1689998842 YMXMFECOCGHLFG-BDXSIMOUSA-N 497.687 2.427 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2Cc2ccc(C[S@@](C)=O)cc2)CC1 1690142731 SNISPMNSYYHHEG-UUWRZZSWSA-N 476.606 2.233 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CC(=O)NCC)CC1 1690241893 YRKGESNHWKBMAX-UGKGYDQZSA-N 483.573 2.093 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2ccccc2Cl)C1 1690287997 CMCRZEFXHZSVDL-OALUTQOASA-N 482.006 2.418 30 10 JEEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CN(CC(C)C)CCO1 1690523813 PNPONFGWKNVQOS-SFHVURJKSA-N 451.575 2.171 30 10 JEEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1690632723 NALHNCSXQDLNJO-UHFFFAOYSA-N 464.613 2.472 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCN(C(C)C)CC1 1690668563 AGLUDWNPWWKZTN-UHFFFAOYSA-N 478.601 2.069 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1690676050 NXIWCQMFJHWLNQ-UHFFFAOYSA-N 491.596 2.113 30 10 JEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1690744562 POQZGFPQKSLBTO-MSOLQXFVSA-N 465.649 2.149 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OCC)CCOC3)n2CCC(C)(C)O)c1 1705503780 DSWQJAAGFZELEE-XMMPIXPASA-N 455.559 2.147 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCC[C@@H]1OC 1705591306 NHJLNGQUKYRDQR-IRLDBZIGSA-N 469.611 2.473 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2CC(C)(C)C(=O)NCC)CC1 1705650434 QSGZQQMIYPLLKP-UHFFFAOYSA-N 464.614 2.191 30 10 JEEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1705654624 OETLIOJANHMXIQ-PXNSSMCTSA-N 456.572 2.377 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)Oc2cccc(F)c2)CC1 1705769383 QXOLHQIPDLWHQF-XLIONFOSSA-N 479.578 2.374 30 10 JEEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1705810974 NCEVUFYJKNLXCC-UHFFFAOYSA-N 466.590 2.026 30 10 JEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(c2ccccc2C#N)CC1 1705830586 SQMGIMWKMXXNIV-OAQYLSRUSA-N 484.626 2.361 30 10 JEEE C=CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1705886204 AVOWLGKMVKFXQI-CQSZACIVSA-N 485.536 2.237 30 10 JEEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1705906344 AVGRSKAJQPMCAS-UHFFFAOYSA-N 483.642 2.471 30 10 JEEE C=CCNC(=O)Cn1c(N2CC[C@@H](COCC)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705908545 RUXLKUBJMMNQIY-KURKYZTESA-N 462.595 2.214 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2CC[C@H](C(F)F)N2CCOCC2)C1 1705925728 SXPWGEMLGAHPEG-IPMKNSEASA-N 455.550 2.309 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H]2CCCCS2(=O)=O)C1 1705926723 JQQRQTAXQKWZJI-MSOLQXFVSA-N 451.618 2.382 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCCN(Cc2ccc(F)cc2)CC1 1705934586 QJIBWVPPGLWYJS-UHFFFAOYSA-N 485.589 2.187 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1705938416 XTHFOBJHCRXODE-IBGZPJMESA-N 496.655 2.088 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@H]1CC[C@H](CO)O1 1722291724 GMHMWJYXSGAJAT-OKZBNKHCSA-N 450.543 2.234 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCc1nccs1 1722393694 HPALYOPPHCQBJA-UHFFFAOYSA-N 453.597 2.400 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnn(C)c3)n2CC2C[C@H](C)O[C@@H](C)C2)n1 1722427101 GKKUROXLVHNWCN-OALUTQOASA-N 466.590 2.365 30 10 JEEE C#CCSCCn1c(N2CCC[C@H](NC(=O)C(C)C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1722463420 BPIZAVHBRHKAPN-WMZHIEFXSA-N 463.648 2.426 30 10 JEEE C=C(Cl)Cn1c(CC(C)C)nnc1N1C[C@@H]2[C@H](C1)[C@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1722552510 QVUZQSWTAOQKFG-BZUAXINKSA-N 474.027 2.356 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@H](C(=O)OC)C1 1722695380 BAKWNXOIJGJTLD-LBPRGKRZSA-N 466.311 2.148 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(F)cc2Br)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1722695800 QMQDATOEQBJMOQ-IAGOWNOFSA-N 491.365 2.396 30 10 JEEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H](c2nc(CC)cs2)C1 1722701969 IJMCGTISGJUSSS-INIZCTEOSA-N 457.604 2.106 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1722727496 MDYVOQWAUDCYGQ-UHFFFAOYSA-N 463.567 2.445 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1722730101 INNXUXZZLYDICJ-SFTDATJTSA-N 487.626 2.322 30 10 JEEE C=CCSCCn1c(C(C)C)nnc1N1C[C@@H]2[C@@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1722732873 RLGJZYRVCISRHC-IKGGRYGDSA-N 485.676 2.447 30 10 JEEE CC(F)(F)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1723894016 CRVRAGXFDXIANC-MRXNPFEDSA-N 455.473 2.394 30 10 JEEE CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)OC)CC1 1727101129 BKQZMZAQJIJWCA-GOSISDBHSA-N 453.591 2.278 30 10 JEEE CCC[C@@](C)(O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1727898849 DDQVTNAWEPBYDW-BXKMTCNYSA-N 483.621 2.124 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1ccnc(SCC)c1)[C@@H]1CCS(=O)(=O)C1 1740622060 SWTJGYPPCGUZLR-QGZVFWFLSA-N 456.597 2.455 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1cc(C)nn1C 1740653293 HUJCOKMAORLMDV-UHFFFAOYSA-N 454.538 2.228 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCc2cccc(F)c2F)CC1 1740690327 RDWLSJAXZMSTPE-UHFFFAOYSA-N 451.481 2.202 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@H](C)N2CCN(CC)CC2)CC1 1740699019 YEYMERNWEMEFHY-FQEVSTJZSA-N 487.599 2.328 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)ccc3C)n2CCCn2ccnn2)CC1 1740707896 USFJUIQAIUDULK-UHFFFAOYSA-N 476.585 2.122 30 10 JEEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)N(C)C2CCCCC2)CC1 1740722219 BRZCGEXTWJTTJC-OAQYLSRUSA-N 474.675 2.409 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1740759378 BTZKLXSOCOWCHL-FUDKSRODSA-N 474.650 2.144 30 10 JEEE C=C(C)COCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC(NC(C)=O)CC1 1740792664 KGAFDBKSJZCEHR-UHFFFAOYSA-N 479.585 2.373 30 10 JEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCN2CCc3ccccc3C2)CC1 1740818787 UWALSZMAVDKVIZ-IBGZPJMESA-N 458.632 2.493 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)[C@@H]1CCOC1 1740989862 AYKXGCLZNIYZDF-QGZVFWFLSA-N 486.598 2.062 30 10 JEEE CC(=O)NC[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cc(C)nn2C)C1 1741097371 DEQHKYIUBYXJFL-HXUWFJFHSA-N 462.558 2.172 30 10 JEEE CNC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@](C)(O)c2ccco2)C1 1748188368 BGBHRLAWQTXSCM-HOYKHHGWSA-N 464.526 2.192 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)c1cccs1 1748672387 TXMPMCLHGCQIRM-CVEARBPZSA-N 451.618 2.108 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OCC)CCOC3)n2Cc2nnc(CC)s2)c1 1748692075 QGHXSTUBQLOKRB-XMMPIXPASA-N 495.609 2.449 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1CCOCC1 1748891770 FSRJJBZOOMKWDL-HXUWFJFHSA-N 457.575 2.476 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCOC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1748944897 IPNWVFKOZSLMQX-PMACEKPBSA-N 475.590 2.233 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CCc2cccc(C(=O)NC)c2)CC1 1749008565 CWWGLLFEBRXWBS-UHFFFAOYSA-N 485.592 2.217 30 10 JEEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2nccnc2C)CC1 1749044194 OYEAHRHWLUBMQB-UHFFFAOYSA-N 482.639 2.061 30 10 JEEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1749234898 KTIADWZKJGPMGW-RBUKOAKNSA-N 474.631 2.019 30 10 JEEE C=CCn1c([C@@H](C)OCCOC)nnc1N1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 1749615928 FGBZOMMEYUHCRC-CTNGQTDRSA-N 454.575 2.116 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1749726121 XRSRZYJLFHOZEB-GJZGRUSLSA-N 475.036 2.457 30 10 JEEE C[C@@H](CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](C#N)C1)N1CCCCC1 1751109029 HFGRCKGHCQDSFH-ICSRJNTNSA-N 472.615 2.342 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccccc1CN1CCC(O)CC1 1760099220 DAWPLLOKVZNDSL-IBVKSMDESA-N 467.614 2.393 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CCc2c(C)noc2C)c1 1760126850 KNDPXRXPNGKCSQ-UHFFFAOYSA-N 463.542 2.320 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H](C2CCCCC2)N(C)C)CC1 1760257387 VMEJYLTYLFIWKA-RCZVLFRGSA-N 458.651 2.196 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCCN(C(C)=O)CC1 1760324772 MRYRSINWWNFYFC-NQIIRXRSSA-N 472.615 2.309 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CCOC)[C@H](CCC)C1 1760333391 DYFYZSVYNXCVAK-VMBXEPDQSA-N 460.623 2.148 30 10 JEEE C=C(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1760341730 SHTSCHCEGMGSSN-IBGZPJMESA-N 472.565 2.114 30 10 JEEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C(=O)c2ccsc2)CC1 1760507614 SUKBUTXYPSPEGW-UHFFFAOYSA-N 486.623 2.405 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1760518601 XRPNMYIDMDFVIZ-CJAUYULYSA-N 485.585 2.427 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN([C@H](C)c2ccc(F)cc2F)CC1 1760522526 VPYWDQCUZPVJSG-IAGOWNOFSA-N 460.529 2.246 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(C(=O)c2ccccc2OCC)CC1 1760548609 LSOLKROQRVRNFI-UHFFFAOYSA-N 475.615 2.363 30 10 JEEE C=CCSCCn1c(COc2ccc(F)cc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1760569762 ZJEJRDBKNSFROI-UHFFFAOYSA-N 474.562 2.436 30 10 JEEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCC(F)(F)C(F)F)CC1 1760606475 HKSWERCDSIUBBJ-UHFFFAOYSA-N 454.428 2.402 30 10 JEEE CNC(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1769329583 CTNZSQREZZTTHZ-OAQYLSRUSA-N 451.575 2.240 30 10 JEEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cc(C)nn2C)C[C@@H](C)O1 1770960270 GVEUBHUYOKZMLG-UTKZUKDTSA-N 451.531 2.059 30 10 JEEE C=CCn1cc(OCCN2C(=O)c3ccccc3C2=O)c(=O)cc1CN1CCC(N(C)C)CC1 1870378332 UGNZZKVUQZGGFI-UHFFFAOYSA-N 464.566 2.235 30 10 JEEE C=CCN=c1nc(N2CCN(c3ccccc3OC)CC2)[nH]c(=Nc2cccc(N(C)C)c2)[nH]1 1871618868 NGCKPJLWQSWISU-UHFFFAOYSA-N 460.586 2.458 30 10 JEEE CCOC(=O)c1sc([C@@H](C#N)C(=O)CN2CCN(Cc3ccc4c(c3)OCO4)CC2)nc1C 1872797824 WHDFLIGGLWXPQQ-KRWDZBQOSA-N 470.551 2.351 30 10 JEEE COc1cccc(/C=N/n2c(CNC(C)=O)nnc2SCc2nc(O)c3ccccc3n2)c1O 1874434497 INTKUXYMPOXYGA-YSURURNPSA-N 479.522 2.452 30 10 JEEE COc1cc(/C=N/n2c(SCCO)nnc2C(C)(C)C)ccc1OCCN1CCOCC1 1874486621 BYFGMSAEWPHQIG-XQNSMLJCSA-N 463.604 2.262 30 10 JEEE CN(CC1CCN(C(=O)C2CN(C(=O)c3ccc4c(c3)OCO4)C2)CC1)c1ncccc1C#N 1892035040 OLGDFSYLJVSMQO-UHFFFAOYSA-N 461.522 2.129 30 10 JEEE CC(C)[C@H](C#N)C(=O)Nc1c(I)ncnc1I 2008292476 YSZLXQJGESWNER-LURJTMIESA-N 456.025 2.420 30 10 JEEE CCOC(=O)C(=Cc1cc(Cl)c(O)c(OC)c1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O 2040461431 PLHKCBPMRYHVJB-UHFFFAOYSA-N 479.894 2.415 30 10 JEEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](CC(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)O1 2180965442 GIJUWMRYYJYZGW-GDBMZVCRSA-N 462.356 2.129 30 10 JEEE CC1(C)OB(c2n[nH]cc2C(=O)N[C@H]2CCCN(C(=O)OCc3ccccc3)C2)OC1(C)C 2247819822 KHGURAVICJATIT-KRWDZBQOSA-N 454.336 2.240 30 10 JEEE CC1(C)OB(c2cc(C(=O)N3CC4(CC(NC(=O)OCc5ccccc5)C4)C3)[nH]n2)OC1(C)C 2255628071 CJYWYVSXYCPVHX-UHFFFAOYSA-N 466.347 2.240 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)CCO1 2255877576 KLEDAFMCOKWGMC-CQSZACIVSA-N 452.382 2.413 30 10 JEEE C[C@H](NC(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)C1(O)CN(C(=O)OC(C)(C)C)C1 2255880012 YMLIIUKTXVMKQB-ZDUSSCGKSA-N 452.382 2.147 30 10 JEEE Cc1cc(S(=O)(=O)N[C@@H]2CON(C(=O)OC(C)(C)C)C2)sc1B1OC(C)(C)C(C)(C)O1 2255943815 VZNVAIIZUGMDNA-ZDUSSCGKSA-N 474.410 2.185 30 10 JEEE CN(Cc1csc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)C1(CO)CN(C(=O)OC(C)(C)C)C1 2268643507 KRIVJHWFWNTLNW-UHFFFAOYSA-N 466.409 2.235 30 10 JEEE C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)C[C@@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2268706949 OOQVXATYDUZCFE-RDBSUJKOSA-N 466.413 2.479 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C12CCC2 2268707316 UXRQZGLAKQPCAL-OLZOCXBDSA-N 464.397 2.281 30 10 JEEE CCO[C@H](CNC(=O)OC(C)(C)C)CC(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2268716697 GWIRLWSJNNSGPK-AWEZNQCLSA-N 469.413 2.378 30 10 JEEE CN(CC1CCN(C(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)CC1)C(=O)OC(C)(C)C 2281827062 QOXLKYIMJJGHDF-UHFFFAOYSA-N 462.400 2.438 30 10 JEEE Cc1c(C(=O)N2C[C@@H]3C[C@H](C2)C3NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281990239 KKJXHTKZEWCIAH-FKEKPDDDSA-N 460.384 2.013 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 2282042560 CZZRKCOIGQLIJX-MUJYYYPQSA-N 460.384 2.095 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 2282045168 YSXQMHFWYUKDDD-HSZRJFAPSA-N 460.384 2.192 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)[C@H]1CN(C(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)CCO1 2282061604 MYBRXXIUESPTCK-MAUKXSAKSA-N 461.368 2.135 30 10 JEEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1C[C@@H]2C[C@H](OCc3ccccc3)C[C@H]21 2282175027 ISVWDVQSPZSZOL-INDMIFKZSA-N 452.364 2.228 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@H]1CC(C)(C)[C@@H]1OCc1ccccc1 2282340653 IMDMTBNAJKBFFP-RBUKOAKNSA-N 475.420 2.382 30 10 JEEE Cc1nc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H]3COC[C@@H]32)c(B2OC(C)(C)C(C)(C)O2)s1 2282520553 RFSXOVQCLXKWJS-LSDHHAIUSA-N 479.408 2.211 30 10 JEEE CN(C[C@H](O)CNC(=O)OC(C)(C)C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn1C1CC1 2282542529 FNRHBTIRCUYEOR-QGZVFWFLSA-N 463.384 2.080 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]2C)n1 2282550782 DHAVVAYCSSYNPP-DZGCQCFKSA-N 455.286 2.361 30 10 JEEE Cc1nn(C)c(C(=O)N2CC[C@@]3(CCN3C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2282582733 AIDKCEVJZMCVDV-HSZRJFAPSA-N 460.384 2.253 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC3(CCN(C(=O)OC(C)(C)C)C3)C2)n1 2282587821 BLGUCMVKBHOOGA-UHFFFAOYSA-N 460.384 2.285 30 10 JEEE Cc1c(C(=O)NC[C@@H]2[C@H]3C[C@@H]3CN2C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282588701 WPRSDFVBZYJWRJ-OWCLPIDISA-N 460.384 2.013 30 10 JEEE Cn1nc(C(=O)NCC2CC(F)(CNC(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2282625127 RCBQPAJVDBTMRM-UHFFFAOYSA-N 466.363 2.092 30 10 JEEE CN(C[C@H]1CCCN(Cc2ccccc2)C1)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282695422 NMVYDLQJAOIGTK-LJQANCHMSA-N 453.396 2.099 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)NCCc1ccccc1B1OC(C)(C)C(C)(C)O1 2283960080 UMCSCUYUUVJSNE-MJGOQNOKSA-N 460.380 2.015 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]1C(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)ccc1F 2283981321 KZCHMVDQTBBLCZ-QZTJIDSGSA-N 464.343 2.423 30 10 JEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1C 2285198187 ONIHLLGAIIPZBB-DLBZAZTESA-N 461.368 2.053 30 10 JEEE CC(C)(C)OC(=O)N1CC(O)(C(F)(F)CNC(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2288535530 CFEKZEJJSFWNAX-UHFFFAOYSA-N 488.362 2.394 30 10 JEEE COC[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)N(C(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C1 2289594212 AVCBHBDSGMVXGZ-CABCVRRESA-N 481.424 2.444 30 10 JEEE COc1cccc([C@@H]2C(=C(O)c3c(C)nc4ccccn34)C(=O)C(=O)N2CCN2CCOCC2)c1 2297741068 TVRRBOZUBSPVQZ-HSZRJFAPSA-N 476.533 2.405 30 10 JEEE CO[C@H]1[C@H](CNC(=O)[C@H]2C[C@H]2B2OC(C)(C)C(C)(C)O2)N(C(=O)OC(C)(C)C)C[C@H]1OC 2334261273 KBBOAHXUADLZTA-NNXHMXCWSA-N 454.373 2.234 30 10 JEEE CCOC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)[C@@H]1C[C@H]1B1OC(C)(C)C(C)(C)O1 2334272553 WMPNNOPVHKENDY-BZUAXINKSA-N 452.357 2.480 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CS(C)(=O)=O)C(=O)N1CCC(=CB2OC(C)(C)C(C)(C)O2)CC1 2335393379 ROVTYLDIWGVURK-INIZCTEOSA-N 472.413 2.105 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)n1 2336900234 JLFBMMVRISDBHF-OAHLLOKOSA-N 450.389 2.389 30 10 JEEE Cc1cc(C(=O)NCCOC2CN(C(=O)OC(C)(C)C)C2)oc1B1OC(C)(C)C(C)(C)O1 2337062021 HTWSCLWGVIBZBG-UHFFFAOYSA-N 450.341 2.253 30 10 JEEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@@H](NC(=O)c1cc(B3OC(C)(C)C(C)(C)O3)n[nH]1)[C@@H]2F 2359268011 OUVZZACCCPNZHQ-LGWLGOQQSA-N 464.347 2.317 30 10 JEEE C#CCCN1C(=O)[C@@H]2[C@H](c3ccccc3C)N[C@@](Cc3ccc([N+](=O)[O-])cc3)(C(=O)O)[C@@H]2C1=O 248099232 OSTMFBSDGMEBFY-AIFLQVKLSA-N 461.474 2.238 30 10 JEEE C#C[C@]1(O)CCN(C(=O)[C@@H](CCC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)C1 757470828 WHYZJVQSEKFERX-GJZUVCINSA-N 462.502 2.355 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1cc(COC(C)(C)C)on1)[C@@H]1CCS(=O)(=O)C1 1286391802 GKZBQFLWLHWEEM-IEBWSBKVSA-N 491.614 2.150 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCCN(CC(C)C)C1)[C@H]1CCS(=O)(=O)C1 1286395068 QQZVMTYWPITYPO-VSKRKVRLSA-N 477.675 2.167 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2CC[C@@H](F)C2)CC1 1286487854 PYMODUVFSQMJLL-FXAWDEMLSA-N 487.601 2.453 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCNC(=O)C(C)C 1286527864 KPJWZOZFPZHBTN-HHHXNRCGSA-N 477.657 2.407 30 10 JEEE C=C(C)COCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1286600479 NWRNUYCIHKFPLN-LJQANCHMSA-N 487.992 2.010 30 10 JEEE C=C(Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1)c1ccccc1 1286619431 RSVRJTAUXDLXJW-BVSLBCMMSA-N 489.642 2.481 30 10 JEEE C=CCCOCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCS(=O)(=O)CC1 1286711394 KWGVMSZDUPKYQK-UHFFFAOYSA-N 483.635 2.220 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1286779432 IVSKRVASHLEDGI-OAHLLOKOSA-N 493.381 2.454 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)N2CCOCC2)C1 1286813481 VTHXJDDFNXPJLB-UGKGYDQZSA-N 452.559 2.231 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1286816172 GHQZOIBTHYAFGL-HXUWFJFHSA-N 490.649 2.290 30 10 JEEE CCCC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1293740035 BEXMJXRWXGMBLO-LEWJYISDSA-N 499.641 2.126 30 10 JEEE C#CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1300393852 HRNHSLNCCUAXGW-SFHVURJKSA-N 475.615 2.484 30 10 JEEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1csc2ccccc12 1300464492 GISNVISIBABZIR-SFHVURJKSA-N 459.597 2.138 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2ccccc2F)n1CC1(C)COC1)[C@@H]1CCS(=O)(=O)C1 1300482025 CWPDDZLANXUDBX-IAGOWNOFSA-N 462.547 2.220 30 10 JEEE C#CCN(C(=O)CNS(=O)(=O)c1ccc(SCC(C)C)c([N+](=O)[O-])c1)C1CSC1 1300607532 HMVZMTSXNBLQEC-UHFFFAOYSA-N 457.599 2.198 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CCS(=O)(=O)Cc2ccccc2)CC1 1300712127 MSPVFSHJNPGLDV-UHFFFAOYSA-N 471.627 2.156 30 10 JEEE C#CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1300743562 UVWCOUFUBZMFSJ-UHFFFAOYSA-N 482.654 2.455 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCCCN2CCCCC2)CC1 1301087109 UTLXPFVLEWSHHB-NRFANRHFSA-N 480.679 2.424 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(C)cc2OC)CC1 1301127155 ZMJKJJIOCQXNKJ-OAQYLSRUSA-N 475.615 2.379 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCO1 1301354994 NAMLJESCKBSXJS-QUCCMNQESA-N 479.578 2.122 30 10 JEEE C=CCN(CC=C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(N2CCOCC2)nc1 1301372259 VTUKCUWIWQPDCM-UHFFFAOYSA-N 460.542 2.384 30 10 JEEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)Nc2ccc(F)cc2)CC1 1301458883 IAOCVRDHGPRGCW-HNNXBMFYSA-N 462.551 2.296 30 10 JEEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)CC1CC(F)C1 1301480882 GGEZVHMAXJBLTF-UHFFFAOYSA-N 463.583 2.033 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCS[C@@H](C(C)C)C1 1301484755 MPKMPSRTTVYAEN-LJQANCHMSA-N 492.671 2.075 30 10 JEEE C#CCN1CCC[C@H](NC(=O)CCNS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)C1 1303556164 BOEXOFDXMGXHOM-ZDUSSCGKSA-N 451.898 2.241 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2ccccc2C)CC1 1358889924 IZMSLLIPKRRKKG-QUCCMNQESA-N 457.600 2.109 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@H](c1ccccc1)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1358960606 IKBUEBQSVGKHFZ-DHIUTWEWSA-N 495.653 2.388 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CCN1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1358966445 PETBDEKQQRLRGT-QFIPXVFZSA-N 496.637 2.087 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(Br)c2)n1CC(=O)NCC(F)(F)F 1358974285 XXWJCCIHLISKMW-UHFFFAOYSA-N 484.276 2.468 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccccc2COCC)CC1 1359029295 TVDGMIDQCINDNV-UHFFFAOYSA-N 459.554 2.265 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@](C)(O)c2cc(C)oc2C)CC1 1359040452 VKEJYAJBJGGTEW-SANMLTNESA-N 498.628 2.280 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2Cc2ccc(OC)nc2)CC1 1359047142 SPACALCOYKGHGH-UHFFFAOYSA-N 474.565 2.317 30 10 JEEE C#CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCCN(CC)C(=O)C1 1359054982 OWHTVNUYHZJGGI-UHFFFAOYSA-N 479.610 2.100 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CCOC)C(=O)C1 1359102750 FIVNLIDOTBWBQZ-YKSBVNFPSA-N 480.569 2.005 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)Cc1cnn(C)c1 1359327844 MALCUTSBMOEVBB-UHFFFAOYSA-N 466.571 2.306 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](C(=O)NCCC)C1 1359329812 VSZGVMUWJTZIPX-FQEVSTJZSA-N 470.599 2.160 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCc3ccc(OC)cc3C2)nnc1[C@]1(OC(C)C)CCOC1 1359335626 QDSHZUMAKWTTMN-DEOSSOPVSA-N 490.626 2.491 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(CC(=O)Nc4ccccc4F)CC3)cc2C1=O 1447299239 DDWKQMWZCGTHDR-UHFFFAOYSA-N 450.470 2.004 30 10 JEEE C#Cc1cccc(CNC(=O)N2CC[C@H](N3C(=O)O[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]43)C2)c1 1478816110 QMMNIESHWONUFU-ZCNNSNEGSA-N 454.527 2.392 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@H](C)CN1CCOCC1 1507522358 VHGRMTHSLBWMDZ-ZWKOTPCHSA-N 457.575 2.397 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1c(CC)nn(C)c1CC)[C@@H]1CCS(=O)(=O)C1 1507630834 INMKTUNXBBJSPS-GOSISDBHSA-N 481.626 2.182 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC[C@](C)(O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1507634127 WWFJLEWQXOQKAF-IZIIKQMZSA-N 472.611 2.097 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H](OC)C2CC2)CC1 1507734983 GMIXGHLSNZQSRS-QFIPXVFZSA-N 467.570 2.353 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cc(Br)cn2C)nnc1N1CCN(C(=O)NC)CC1 1507797754 QGSAUDAPPOGCFV-MAUKXSAKSA-N 492.422 2.489 30 10 JEEE C=C(C)COCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1507845265 CMKLXTROYVRQFQ-UHFFFAOYSA-N 472.565 2.175 30 10 JEEE C=CC1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCNS(=O)(=O)c2ccccc2)CC1 1507910526 UURUPGAMHYFIKK-FPOVZHCZSA-N 475.615 2.383 30 10 JEEE C=CCN(CCOC)c1nnc(C(=O)NC(C)C)n1C[C@@H]1C[C@@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1508036856 ROWNQSDQGQJDPE-QYZOEREBSA-N 492.621 2.080 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(c2ccc(OC)cc2)CC1 1508073386 WTULHHQYJHDOJG-UHFFFAOYSA-N 452.559 2.209 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(NC(=O)CCC)CC1 1508135268 GXLBDQFXWGZYLO-UHFFFAOYSA-N 481.022 2.479 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 1508144253 ONZZMCJKXOCNFK-FQEVSTJZSA-N 488.658 2.243 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@H]1CCC[C@H]1OC 1513399972 GTIBBCDUOKOHBF-WAOWUJCRSA-N 495.632 2.388 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCNc1ccc(C(F)(F)F)cn1 1538970298 BUXLADRPUWNDKP-KGLIPLIRSA-N 473.525 2.262 30 10 JEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@H](C)c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1539201098 WANBOLVCXJIAFU-PXNSSMCTSA-N 473.574 2.084 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1CCc1cn[nH]c1)[C@@H]1CCS(=O)(=O)C1 1539206370 OFUXZYXZAXFCJS-FUHWJXTLSA-N 472.546 2.150 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1cccc(Br)n1)[C@@H]1CCS(=O)(=O)C1 1539215958 LYECHOVXHRUDAV-QGZVFWFLSA-N 487.383 2.173 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCc1cccc(OCC)c1)[C@@H]1CCS(=O)(=O)C1 1539230465 MUQUQOXTZYCVCA-JOCHJYFZSA-N 496.637 2.408 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@@]2(C)COCCO2)CC1 1539434837 VKYRYOBARDCPND-NRFANRHFSA-N 478.366 2.407 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCCSc2nccs2)CC1 1539467692 XJMUPCFGYDYHNR-UHFFFAOYSA-N 487.655 2.119 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CC[C@@H](F)C2)CC1 1539489175 RIYAZZUZOJOMQB-SJLPKXTDSA-N 472.590 2.374 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)[C@H]1CCOC1 1539620281 KEEZMGACHJALHB-ZJOUEHCJSA-N 475.615 2.402 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1539634261 ADRPNZBPQKBUDY-GIWBLDEGSA-N 488.658 2.353 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1ccco1 1540905673 VLQYHQAHTSUIKS-GOSISDBHSA-N 495.602 2.417 30 10 JEEE C#Cc1cccc(N(C)C(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1 1542919217 CVXRWAAHPJHDHF-UHFFFAOYSA-N 457.527 2.083 30 10 JEEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1Cc1ccc(OC)c(OC)c1 1546527353 CEKNQTFDMDIEJN-UHFFFAOYSA-N 450.547 2.146 30 10 JEEE COCCNC(=O)[C@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CCN1C(=O)c1cccn1C 1548372704 XPAIACQKHBQUBU-LJQANCHMSA-N 463.460 2.009 30 10 JEEE CN(C)CC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1552860520 AXPICTDPNFZHNA-QFIPXVFZSA-N 481.645 2.475 30 10 JEEE C#CCN1CCN(C(=O)CN2CCN(C(=O)OC(C)(C)C)C[C@H]2c2ccccc2OC)CC1 1559782247 JBOIVQQHJSWAGC-NRFANRHFSA-N 456.587 2.066 30 10 JEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1CCN(c2ccc(Cl)cc2F)C1 1586840721 AYPBNXNUUJXCGD-BBRMVZONSA-N 450.923 2.413 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3csc(C)n3)n2CCN2CCOC[C@@H]2C)c1 1587697073 JFQTWVOGRWMBJT-SFHVURJKSA-N 493.637 2.411 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CC=CCO1)[C@H]1CCS(=O)(=O)C1 1588073966 GNQYIFSPXPQBEY-VNTMZGSJSA-N 462.616 2.169 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccn2C)n1C[C@@H](c1ccc(C)o1)N1CCOCC1 1588620163 OILOKUWQLQCWGY-NRFANRHFSA-N 452.559 2.345 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2ccc(OC)c(O)c2)CC1 1588929593 DKHNZLUIZHJNIR-NRFANRHFSA-N 453.543 2.248 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1589543651 AFRMZCPRVZSLAK-FPOVZHCZSA-N 472.634 2.119 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N(C)CCN1CCOCC1 1589568530 KHCGSFGECFHSEU-NQIIRXRSSA-N 474.631 2.019 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCN2C(=O)CC[C@@H]2C1)C(C)C 1595165209 CQYZFJCKEWNEMU-RTWAWAEBSA-N 452.607 2.188 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cc(Cl)c3c(c2)OCCO3)C1 1595672415 AROPUKFXEYGHIW-GDBMZVCRSA-N 498.005 2.143 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN(C(C)=O)C[C@H]1C 1595778091 WFGAGKKQLCZYCN-QGZVFWFLSA-N 491.614 2.010 30 10 JEEE Cc1nnc(CCn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N(C)C[C@H](C)C#N)s1 1612520476 CVEARXJRNJVHPQ-CQSZACIVSA-N 474.616 2.194 30 10 JEEE CCC[C@@H](Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@](F)(C#N)C1)OC 1614396677 ICCJCZVZNAEIGN-UWJYYQICSA-N 464.567 2.452 30 10 JEEE CC#CCS(=O)(=O)c1cccc(C(=O)NCC2(NC(=O)OC(C)(C)C)CCOCC2)c1 1633011485 FSHFORPKSUZRHO-UHFFFAOYSA-N 450.557 2.287 30 10 JEEE C[C@H](NCC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)c1ccc(N2CCNC2=O)cc1 1659120980 IAZQKPFNMJKRPR-PXNSSMCTSA-N 452.584 2.337 30 10 JEEE C=CCN1CCC(NS(=O)(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cc2)CC1 1661998271 ZRVCEMLNSYOEBG-ROUUACIJSA-N 455.646 2.282 30 10 JEEE C#CCOc1ccccc1CNC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 1672601271 IWZXZBHPAYRKFV-UHFFFAOYSA-N 459.524 2.050 30 10 JEEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1689885271 BYYSNXLIFCUHSI-UHFFFAOYSA-N 467.599 2.134 30 10 JEEE C#CCN(c1nnc(C)n1Cc1c(C)nn(Cc2ccccc2)c1C)[C@@H]1CCS(=O)(=O)C1 1689980193 NMKPUVGGQHDFTP-OAQYLSRUSA-N 452.584 2.123 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1CC(C)(C)c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1689987959 GMZUNQAZQCVGIP-IBGZPJMESA-N 468.558 2.479 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)N2CCCC2)n1CCNC(=O)C(C)(C)C 1690087129 LEYGGGJUJNMYPI-UHFFFAOYSA-N 454.550 2.455 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CCc1nnc(C)s1 1690101002 KTXPFAKCDCTVPH-UHFFFAOYSA-N 450.528 2.083 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@](C)(O)c2ccco2)CC1 1690133653 OVDFCXNZCWIPGD-DEOSSOPVSA-N 451.527 2.122 30 10 JEEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(CC(F)(F)F)CC1 1690170465 JRJXUUKZKYKSOQ-UHFFFAOYSA-N 491.543 2.243 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1690194884 BIHPKTCCBZRJHL-BYXVTNLJSA-N 486.661 2.254 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nccc(OCC)n2)CC1 1690433654 YSHJXYACJUFFBT-SFHVURJKSA-N 489.646 2.298 30 10 JEEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)CNC(=O)OC(C)(C)C)C1CC1 1690545681 WPYBYTNJBJCBOV-CVEARBPZSA-N 453.609 2.496 30 10 JEEE C=CCN(CCOC)c1nnc(-c2ccc3ccccc3n2)n1CCC(=O)N1CCOCC1 1690615919 WTUFMENORQQPEZ-UHFFFAOYSA-N 450.543 2.381 30 10 JEEE COC[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCS(=O)(=O)C2)C1 1697879303 AYPMKLACQZSKMJ-RTBURBONSA-N 459.572 2.026 30 10 JEEE N#C[C@]1(F)CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCCC(=O)NC2CC2)C1 1698482449 AXWQHMNZDIKTDX-JOCHJYFZSA-N 473.940 2.362 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC(=C)Cl)[C@@H]1CCS(=O)(=O)C1 1705559849 BNGPPINFLLDHHB-MRXNPFEDSA-N 480.974 2.350 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1cc(COC(C)(C)C)on1)[C@@H]1CCS(=O)(=O)C1 1705570943 VTJQYVLNEHVAPB-HXUWFJFHSA-N 498.609 2.242 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCCN(CC)S(C)(=O)=O)CC1 1705635860 NXDQLABVVRHALH-UHFFFAOYSA-N 465.023 2.025 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3CC)n2C[C@]2(O)CCSC2)CC1 1705651012 GMAIODDNIASDSF-RUZDIDTESA-N 483.638 2.253 30 10 JEEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1705691585 IMELZYSLGMCDAA-OAHLLOKOSA-N 453.385 2.050 30 10 JEEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nccc(OCC)n2)CC1 1705805641 LCEVFPPVOAPDBU-SFHVURJKSA-N 475.619 2.052 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 1705935780 CXPZEGRACAQCGT-MSOLQXFVSA-N 483.635 2.266 30 10 JEEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](OC(C)(C)C)C1 1705946331 FMYGTNZSOMSXOC-ZWKOTPCHSA-N 487.692 2.314 30 10 JEEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2C[C@@H](C)O[C@H](C)C2)C[C@H]1OC 1712684722 FHMZRRZMWUELIU-NNLJWKLDSA-N 484.601 2.078 30 10 JEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1C[C@H]1NC(=O)CC1(C)C)[C@H]1CCS(=O)(=O)C1 1722360180 RYRDSCIRQBCTNE-ZWKOTPCHSA-N 476.002 2.140 30 10 JEEE C#CCN(c1nnc(CC2CCCC2)n1C[C@]1(N(C)C)CCSC1)[C@H]1CCS(=O)(=O)C1 1722370595 CUWWWRJNMOQOBN-SIKLNZKXSA-N 465.689 2.075 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc4ccccc4o3)n2CCCS(C)(=O)=O)CC1 1722444327 WZBCPWXNBVPCIT-UHFFFAOYSA-N 469.567 2.092 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CC[S@](=O)C(C)(C)C)CC1 1722448233 WSMBQTHEVBLMFQ-QGFSVNGOSA-N 499.637 2.304 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1nnnn1CC1CC1 1722503354 SKWOXDPGOSZAQY-UHFFFAOYSA-N 456.576 2.196 30 10 JEEE C=CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1722606747 TYCJAFWSIGLMPT-MRXNPFEDSA-N 471.587 2.099 30 10 JEEE C=CCN(CCc1ccco1)c1nnc(Cc2csc(C)n2)n1CC(=O)N1CCOCC1 1722674702 SNWQOPUEPDCEKG-UHFFFAOYSA-N 456.572 2.321 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)C1CCC2(CC1)OCCO2 1722694795 ISMKLNCUMOIYTQ-UHFFFAOYSA-N 471.558 2.386 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1722705610 FJPJUSFPUJBHID-IBGZPJMESA-N 467.530 2.045 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1722723615 AVTQZAIDZBJLHN-KSZLIROESA-N 491.589 2.120 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(O)(c2ccccc2)CC1 1722725384 NSEJEDMSWNREND-UHFFFAOYSA-N 496.593 2.014 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1CCN(CC(F)(F)F)CC1 1722867488 GSTWVUBHOUMUFF-GOEBONIOSA-N 462.542 2.050 30 10 JEEE Cn1cnnc1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@@](C)(C#N)C1 1729591367 FJYZKKUPWFWNLY-NRFANRHFSA-N 453.938 2.168 30 10 JEEE COCCN(C)CCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCO[C@@H](C#N)C1 1730726019 GWUYDYALOCJJPR-KRWDZBQOSA-N 493.406 2.413 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2cnccn2)n1C[C@@H]1CCCS(=O)(=O)C1 1730749825 DCMBPPXLTAZRJS-FQEVSTJZSA-N 481.582 2.085 30 10 JEEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1740578106 XQZKKQNGRIBRLN-PZJWPPBQSA-N 497.669 2.062 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)Cc1ccccc1OC 1740589723 ASDSTMLROZCZIP-GHTZIAJQSA-N 475.615 2.100 30 10 JEEE C#CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCCN1CCN(CC)CC1 1740608517 BRLSZRXJOMCOIF-UHFFFAOYSA-N 473.666 2.490 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)N2CCCC2)n1CC1(CS(C)(=O)=O)CC1 1740675626 FRXHSOLFGWPHSO-UHFFFAOYSA-N 473.574 2.118 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2c(CC)nn(C)c2CC)CC1 1740699783 SZZMXORWAIWUPS-UHFFFAOYSA-N 472.597 2.391 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1740752084 SKQDUTVJJCPHEA-BJLQDIEVSA-N 488.614 2.310 30 10 JEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCN2CCc3ccccc3C2)CC1 1740818788 UWALSZMAVDKVIZ-LJQANCHMSA-N 458.632 2.493 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1740980820 KBJSYVFAOBRQBP-SJORKVTESA-N 481.569 2.210 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](N2CCCCC2)C1 1740988837 QWPFOPYRZSACQG-NRFANRHFSA-N 454.600 2.482 30 10 JEEE CC(=O)NCC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)C(C)(C)C)CC1 1741098296 DIZMDJOPQLVKQO-UHFFFAOYSA-N 472.615 2.383 30 10 JEEE CCS(=O)(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCCCC2)CC1 1747435329 HAMZBVDNJQKFKG-UHFFFAOYSA-N 471.631 2.211 30 10 JEEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCCN(C(=O)C(C)C)CC1 1748744716 HATPHPYCURPNDA-UHFFFAOYSA-N 461.570 2.300 30 10 JEEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(C)CCC1)[C@H]1CCS(=O)(=O)C1 1748806157 ZXJBFQLBBFGOJS-PGRDOPGGSA-N 450.605 2.136 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCCN(C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1748807903 DCDXZODBIVXMJL-OAQYLSRUSA-N 454.600 2.174 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCCCN1C1CC1 1748950930 QKBKTNWUCBIXTE-OAQYLSRUSA-N 471.627 2.452 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2cccc(C(=O)NCCC)c2)CC1 1748990228 GECOHCUWWSPJRO-JOCHJYFZSA-N 450.587 2.115 30 10 JEEE C#CCSCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1749023128 NLOFBFSOSNMREF-GOSISDBHSA-N 485.639 2.220 30 10 JEEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCc2ccc(F)cc2C1 1749677886 NPBOKDVACZUNDI-UHFFFAOYSA-N 454.531 2.274 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@H](S(C)(=O)=O)C1 1749727581 XWXJPTGEUYQBKX-AWEZNQCLSA-N 493.438 2.476 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC(Oc2ncccc2F)CC1 1749729715 PFMOIWGGFKWATP-UHFFFAOYSA-N 474.562 2.466 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N(C)Cc1ccc(C(=O)NC)cc1 1749731021 ZDAIUBOFTPFMJD-UHFFFAOYSA-N 468.583 2.245 30 10 JEEE C=CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCCN(S(C)(=O)=O)CC1 1749755565 JMQHEUUEIRJHKW-LJQANCHMSA-N 479.628 2.182 30 10 JEEE CC(C)(C)S(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1750517945 GLSWMKYTYMXAPI-OAQYLSRUSA-N 486.642 2.331 30 10 JEEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)C(C)(C)C)C[C@]2(CCOC2)O1 1752311766 FYDGULONAWHDJV-OSPHWJPCSA-N 452.559 2.363 30 10 JEEE C#CCCCCn1c(Cc2cccnc2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1760140191 FGJASVGQMSSHPK-QPPBQGQZSA-N 463.630 2.446 30 10 JEEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1760161318 FBQFWDOCVQUHGE-MSOLQXFVSA-N 480.635 2.282 30 10 JEEE C#CCN(c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCCS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 1760184939 ZLBYBGFLSKMNBZ-HXUWFJFHSA-N 492.667 2.304 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1Cc1ccc(C)nc1)[C@H]1CCS(=O)(=O)C1 1760192407 UHMBSZBNCUWXCQ-NRFANRHFSA-N 476.562 2.107 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ccnc(-n2cccn2)c1 1760227214 YPNCDEJEEGXUMF-UHFFFAOYSA-N 490.593 2.284 30 10 JEEE C#CCN(CCOC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCc1n[nH]c(C)n1 1760248704 CRONKOHMWOMHNN-UHFFFAOYSA-N 472.594 2.148 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2CCCN2CCCCC2=O)CC1 1760267952 HOZJJGCWKUZREN-UHFFFAOYSA-N 466.561 2.453 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CC2(N3CCCC3)CCOCC2)CC1 1760270719 XHAQWBTYAXGBTG-UHFFFAOYSA-N 456.635 2.087 30 10 JEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 1760272562 OKBZDVMKFUZSFQ-SFHVURJKSA-N 469.615 2.341 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)NC(C)C)n1C[C@@H](C)N1CCOCC1 1760478257 BCNFUMJRBMVOPX-LJQANCHMSA-N 451.575 2.201 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)CN1CCOCC1 1760480656 BARMVLQPQQESCP-IFMALSPDSA-N 473.643 2.341 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1760518644 CRUFKXOAUURZQV-UHFFFAOYSA-N 452.490 2.250 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1760554799 MZCKKPOIRKGFIH-FQEVSTJZSA-N 494.061 2.282 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1760555537 HUIWPEZAAFLRPI-RBUKOAKNSA-N 463.608 2.170 30 10 JEEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCN(c2c(C#N)cnc3ccccc23)CC1 1760558262 KUCMDJRWHSNYGF-UHFFFAOYSA-N 495.609 2.162 30 10 JEEE CC(C)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCC(=O)N(C)C)CC1 1761129505 DGQMLZWVCQOWBU-UHFFFAOYSA-N 453.591 2.375 30 10 JEEE Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CC2CCN(CCN(C)C)CC2)cc1 1761837128 GDRGKKYTOSNZHV-HSZRJFAPSA-N 467.618 2.168 30 10 JEEE COc1cc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H]2CCOC[C@H]2OC)cc(OC)c1OC 1769816801 GDHYECTTWXQTDQ-YWBKXGLFSA-N 475.521 2.464 30 10 JEEE CN(C)C(=O)C1=Cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2[N@@+]1([O-])C1CCCC1 1848439642 XOAHSLTUBMCUQZ-WJOKGBTCSA-N 450.547 2.215 30 10 JEEE CN(C(=O)[C@H]1CCCN1C(=O)C(F)(F)F)c1ccc(NS(=O)(=O)c2ccccc2C#N)cn1 1858272479 SKVUNFHAPXBKMW-OAHLLOKOSA-N 481.456 2.270 30 10 JEEE C=CCOc1ccccc1[C@H]1C(C(=O)NCCNC(C)=O)=C(N)Oc2c1c(C)nn2CCC 1864319395 TUSAUYKZBWRNDZ-HXUWFJFHSA-N 453.543 2.113 30 10 JEEE C=CCOc1ccccc1[C@H]1C(C(=O)N2CCN(CCO)CC2)=C(N)Oc2c1c(CCC)nn2CC 1865222648 KEUYCJQJTMDYAF-JOCHJYFZSA-N 495.624 2.251 30 10 JEEE CC[C@H](C)[C@@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)N1CCN(c2ccccc2OC)CC1 1869929754 MIVFDMFEOURNAU-HTAPYJJXSA-N 470.595 2.497 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)COc2cn(CCO)c(CSCC)cc2=O)nc1C 1870227398 WSCNLTPFGUBFPU-UHFFFAOYSA-N 467.569 2.219 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCCN(CC)CC)cn1CCCOCC 1870534584 JVHDWFCDVVZIIH-UHFFFAOYSA-N 462.635 2.286 30 10 JEEE Cc1ccc2nc(N3CC(C(=O)N4CCC(OCC#CCN5CCN(C)CC5)CC4)C3)sc2c1 1889690001 JCTBZBGGAUXHQV-UHFFFAOYSA-N 481.666 2.299 30 10 JEEE Cc1cccc(-n2ncc3c(=O)n4c(nc32)S[C@H](CC(=O)N2CC(Oc3cccnc3C#N)C2)C4)c1 1892193998 GBGJRDPVNSZTQH-GOSISDBHSA-N 499.556 2.312 30 10 JEEE 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(C)(C)C 2080929548 HXGHTSDXWQXJSF-OWCLPIDISA-N 454.568 2.258 30 10 JEEE C=C1C[C@@H]2[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3[C@@H](O)C[C@@]2(C)[C@@]2(C(=O)OC)C(=O)[C@](C)(O)C(=O)[C@@]12C 2112709502 GPBILLRAZPFRLM-FQVADMJPSA-N 460.567 2.414 30 10 JEEE C=C(F)CS(=O)(=O)Nc1c(I)nc(C)nc1I 2216290258 BSYMZIACGFTZAY-UHFFFAOYSA-N 483.044 2.219 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2COC[C@@H]2NC(=O)OC(C)(C)C)s1 2255599032 URGOWAZXEJMTFS-CABCVRRESA-N 452.382 2.378 30 10 JEEE Cc1cc(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 2255838604 IOWNWKGFVIOQII-GJZGRUSLSA-N 452.382 2.066 30 10 JEEE CC(C)(C)OC(=O)N1[C@H]2C[C@H]1CN(S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)C2 2255941056 GNCGVROEROEBSP-KBPBESRZSA-N 470.422 2.430 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](NC(=O)c2cc(Cl)ccc2B2OC(C)(C)C(C)(C)O2)C1 2267010172 RKGKTHIACQYONJ-SJORKVTESA-N 466.771 2.349 30 10 JEEE CC1(C)OB(c2ccc(S(=O)(=O)N(CCC(N)=O)Cc3ccccc3)cc2F)OC1(C)C 2267365494 PXUZPYSADXXMAM-UHFFFAOYSA-N 462.352 2.191 30 10 JEEE CO[C@H]1C[C@@H](CNC(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)N(C(=O)OC(C)(C)C)C1 2267477373 KUFWNVIBMJFJIT-KBPBESRZSA-N 467.397 2.197 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)CCO1 2267494083 BRZAPBYDBSGPAR-AWEZNQCLSA-N 451.304 2.191 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)sc1CNC(=O)C1(NC(=O)OC(C)(C)C)CC(O)C1 2268707510 WCSORPSWPWJRPE-UHFFFAOYSA-N 466.409 2.390 30 10 JEEE Cn1cc(C(=O)N[C@@]23CC[C@@H](CN(C(=O)OC(C)(C)C)C2)C3)c(B2OC(C)(C)C(C)(C)O2)n1 2281974464 FKFLZMKJSCVUAF-IQMFZBJNSA-N 460.384 2.239 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2CC[C@H]1[C@@H]2NC(=O)OC(C)(C)C 2281980392 JIOORDBLFDBHGV-HYVNUMGLSA-N 460.384 2.330 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H]3CCC[C@]3(NC(=O)OC(C)(C)C)C2)n1 2282037993 CDLGGNNWMAYIKG-WNSKOXEYSA-N 460.384 2.239 30 10 JEEE Cn1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC(C)(C)C2)nc1B1OC(C)(C)C(C)(C)O1 2282044433 TZBIEEXYGSYQCG-UHFFFAOYSA-N 462.400 2.438 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C 2282055439 DSQVBTDYJIBVKJ-HOCLYGCPSA-N 462.400 2.403 30 10 JEEE CN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn1C)[C@]1(CNC(=O)OC(C)(C)C)CCOC1 2282178254 MMBJRCOVTNDLLP-QHCPKHFHSA-N 463.384 2.080 30 10 JEEE C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CN(S(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282350947 UVJPFZMIYGSYEN-WBVHZDCISA-N 481.424 2.305 30 10 JEEE CCc1nc(C(=O)N2C[C@@H](O)C[C@@H](NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2282521976 DWLYRQQBAXDLRJ-KGLIPLIRSA-N 481.424 2.105 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC[C@@]12CCN(C(=O)OC(C)(C)C)C2 2282534373 FMCZOPIQSMNJCH-QHCPKHFHSA-N 460.384 2.335 30 10 JEEE CC[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2282573188 WNUYYHQOSBBIJT-WBVHZDCISA-N 462.400 2.485 30 10 JEEE C[C@@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2CN1C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2282577656 HUCJHKWVIQNVNJ-PMPSAXMXSA-N 460.384 2.047 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCCN(C(=O)OC(C)(C)C)C[C@@H]1C 2282582584 XZPRYVMVDPIZCJ-HNNXBMFYSA-N 462.400 2.499 30 10 JEEE Cc1nn(C)c(C(=O)N(C)[C@H](C)C2CN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2282583090 FHYSLNPLPDGJOM-OAHLLOKOSA-N 462.400 2.355 30 10 JEEE Cn1nc(C(=O)NC[C@@]23CC[C@@H]2CN(Cc2ccccc2)C3)cc1B1OC(C)(C)C(C)(C)O1 2282612974 XMMKIJYMTGXPQR-KBMIEXCESA-N 450.392 2.361 30 10 JEEE CC1(C)OB(c2ccc(C(=O)NC3(C(N)=O)CCN(Cc4ccccc4)CC3)s2)OC1(C)C 2282622732 KIGUOQHMTKIJSQ-UHFFFAOYSA-N 469.416 2.297 30 10 JEEE C[C@H]1CN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C[C@@H](C)N(C(=O)OC(C)(C)C)C1 2282624500 MMYWFIWNUMWMAZ-JKSUJKDBSA-N 460.384 2.493 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@](C)(CNC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2282665991 UJRJSGBSHCGEHS-QHCPKHFHSA-N 461.368 2.137 30 10 JEEE Cc1ccc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2O)cc1B1OC(C)(C)C(C)(C)O1 2282690576 XXRUFKPWCXTTLB-RBUKOAKNSA-N 460.380 2.394 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCC[C@H](NS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282831086 FBHXPKJDBJNFPF-IRXDYDNUSA-N 481.424 2.495 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(CNS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2282834371 SUUGSRPHLNIAFE-SPLOXXLWSA-N 499.464 2.119 30 10 JEEE CN(Cc1ccccc1B1OC(C)(C)C(C)(C)O1)C(=O)[C@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C 2283951152 TXFZWSVMUHQXKY-IEBWSBKVSA-N 460.380 2.315 30 10 JEEE CC1(C)OB(c2ccc(CNS(=O)(=O)N3CC(OCc4ccccc4)C3)c(F)c2)OC1(C)C 2285219564 XQXYCVKVEGAJNB-UHFFFAOYSA-N 476.379 2.360 30 10 JEEE COC(=O)c1ccc(C=Nn2c(COc3ccc(OC)cc3)nnc2SCC(N)=O)cc1 2328368947 DPGUGJHHIGQRHO-UHFFFAOYSA-N 455.496 2.112 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC(C)(C)CNC(=O)OC(C)(C)C)n1C 2337323262 GHRRHTFWGZLMSR-UHFFFAOYSA-N 450.389 2.308 30 10 JEEE CC(C)(C)OC(=O)NC1(CO)CCN(c2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)CC1 2345743970 WAEUMABOMQMNKA-UHFFFAOYSA-N 451.348 2.376 30 10 JEEE C=CCn1nc(C)c(/C=N/Nc2nc(SCC(=O)NCc3nnc(C(C)C)o3)n[nH]2)c1C 59883789 WZWZQOQYZLKBOD-ODCIPOBUSA-N 458.552 2.165 30 10 JEEE COC(=O)c1ccc(NC(=O)CSc2nnc(N/N=C/c3cccc(OC)c3O)[nH]2)cc1 253566440 IXZAGARZQWZPLJ-UFFVCSGVSA-N 456.484 2.482 30 10 JEEE C=CCNC(=O)c1ccc(NC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)cc1 511326739 WPEVDEUVLJYTTQ-UHFFFAOYSA-N 464.569 2.007 30 10 JEEE C=CCn1c(SCC(=O)N(CC(C)C)[C@H]2CCS(=O)(=O)C2)nc2sccc2c1=O 514294492 OYGGFDAAVNHSPH-AWEZNQCLSA-N 455.627 2.408 30 10 JEEE C#CCNC(=O)CN1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]3N2C(=O)c2ccc(Cl)cc2)CC1 728530696 NMGPHPLYLKVFHT-NNWRFLSQSA-N 471.001 2.007 30 10 JEEE N#C[C@H](C(=O)CCNC(=O)Cc1ccccc1)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 916947747 AYVQZXQWMCMLEE-JOCHJYFZSA-N 496.589 2.258 30 10 JEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cnc(C(C)(C)C)s2)c(=O)n1-c1ccccc1C#N 920396937 SLKMXVMJBNHNEZ-UHFFFAOYSA-N 475.599 2.330 30 10 JEEE CCOC(=O)NC(=O)CSc1n[nH]c(NN=Cc2cc(Br)ccc2OC)n1 1084085839 YXYRUODIYOAULT-UHFFFAOYSA-N 457.310 2.387 30 10 JEEE Nn1c(NN=Cc2cccnc2)nnc1SCC(=O)Nc1ccc(I)cc1 1084152177 VUFWQDOQHMFSCB-UHFFFAOYSA-N 494.322 2.168 30 10 JEEE CN(C)CCN(Cc1cccc(C#N)c1)S(=O)(=O)c1ccc(OCc2ncnn2C)cc1 1185250866 AUVXAKOSDRNBDU-UHFFFAOYSA-N 454.556 2.018 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC[C@@H](C(F)F)N1CCOCC1 1286285886 RGEFGFYQZVJQSP-AEFFLSMTSA-N 495.600 2.052 30 10 JEEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccsc1)[C@H]1CCS(=O)(=O)C1 1286383679 NBILPDFKNMJVQQ-GHTZIAJQSA-N 464.613 2.055 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1CC[C@@](C)(O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1286386879 IVUPEGSGOBEZSA-HYBUGGRVSA-N 465.579 2.265 30 10 JEEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1CCN(C(=O)OC)CC1 1286442982 TYLQYVROWOLPHN-UHFFFAOYSA-N 473.603 2.176 30 10 JEEE C#CCSCCn1c(-c2ccc(C)o2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1286499455 RWAVQLMCYABBNJ-LJQANCHMSA-N 456.616 2.346 30 10 JEEE C#CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1286506819 OESFUHMPQYOTTK-QUCCMNQESA-N 471.631 2.059 30 10 JEEE C#CCSCCn1c(N2CC[C@]3(CCC(=O)N3)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1286511590 BAKYFEQZMVFPCF-SAHWJRBASA-N 474.631 2.274 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CCOC2)n1C[C@@H]1C[C@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1286773200 JTNNMWKUXSUQKU-FYQPLNBISA-N 477.606 2.445 30 10 JEEE C=CCOc1ccccc1Cn1c(N(C)[C@@H]2CCS(=O)(=O)C2)nnc1[C@@]1(OCC)CCOC1 1286798764 OCJOKWRYFLVMTC-AUSIDOKSSA-N 476.599 2.167 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCCO3)n2CCCN2CCC[C@H]2C(=O)N(C)C)C1 1286808080 AOORLDXMPAPFHN-HKBOAZHASA-N 460.623 2.244 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCO[C@H](C(F)(F)F)C1 1286814693 DSSKXHROXRVQTA-INIZCTEOSA-N 460.478 2.322 30 10 JEEE Cc1c(Cl)cccc1NC(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C#N)C1 1289268746 CSEJLLDCIJWFFD-INIZCTEOSA-N 471.949 2.234 30 10 JEEE C#CCCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1300362804 AGSXFTKFDGKTMV-GHTZIAJQSA-N 473.599 2.360 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1Cc1cccnc1OCC)[C@@H]1CCS(=O)(=O)C1 1300484449 SGOIVPMVCHWYKQ-HXUWFJFHSA-N 481.578 2.422 30 10 JEEE C#CCN(c1nnc(C2CC2)n1Cc1cc(OC)ccc1OC(F)F)[C@@H]1CCS(=O)(=O)C1 1300493194 SBPVQWKKENGWGE-MRXNPFEDSA-N 466.510 2.441 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1ccc(CS(C)(=O)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1300495440 HPVZBRUJVAGMID-HXUWFJFHSA-N 492.667 2.086 30 10 JEEE C#CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CCN(C(C)=O)CC1 1300741166 OLGISOXDQZFKAK-UHFFFAOYSA-N 451.394 2.081 30 10 JEEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1300767028 OQNQYLLVIBSBJZ-UHFFFAOYSA-N 462.579 2.298 30 10 JEEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1301459143 RTWBNOMVWGLRPX-IXDOHACOSA-N 453.609 2.496 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC(NC(=O)C2CC2)CC1 1301482250 SZAJBAHUTLVJHN-INIZCTEOSA-N 470.549 2.354 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N(CCO)Cc1ccc(Br)s1 1301491948 SETIQLREAKVRRT-UHFFFAOYSA-N 477.388 2.465 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CCO[C@H](C(F)(F)F)C1 1301586306 KHBNDKTXOWRKNN-KRWDZBQOSA-N 458.506 2.432 30 10 JEEE CCN(CCn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(C(C)=O)CC1)C1CC1 1313819685 FXXQQQPBENYREP-UHFFFAOYSA-N 451.575 2.272 30 10 JEEE COCC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(NC(C)=O)CC2)CCOCC1 1315850734 CTFVMBMWVMDVTA-UHFFFAOYSA-N 482.585 2.277 30 10 JEEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2csc(C)n2)CC1=O 1316125264 HSVPCTUMUZDKDU-UHFFFAOYSA-N 451.556 2.119 30 10 JEEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1CC1(C(N)=O)CCCC1)[C@@H]1CCS(=O)(=O)C1 1358956917 MLUHXDPCRMBRAX-NHCUHLMSSA-N 483.638 2.492 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H](C)c1nc(C)cs1)[C@H]1CCS(=O)(=O)C1 1358967042 CARFPEBUMWKOHR-WNHJNPCNSA-N 493.655 2.197 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)cc1F 1359070452 MXHSMHARCJSNPK-SIKLNZKXSA-N 461.563 2.099 30 10 JEEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1359202934 FLHJKFKFZYQDKU-MOPGFXCFSA-N 459.620 2.432 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@@]2(OCC)CCOC2)n1CC(=O)N1CCOCC1 1359262396 RYSXXXPSRJYUTP-JOCHJYFZSA-N 461.588 2.043 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@@H](NC(C)=O)C1 1359292228 KUUWUYRIGVUICE-AZUAARDMSA-N 454.575 2.442 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CCC[C@H](NC(C)=O)C1 1359294700 BORVTLBWDILDQS-ZDUSSCGKSA-N 467.393 2.176 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN(C)Cc2ccccc2)C1 1359321881 MYWXUJVPCKOILC-SFTDATJTSA-N 459.616 2.094 30 10 JEEE C=CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1359342927 HXZUARIYWCZFKB-HXOBKFHXSA-N 492.646 2.365 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCC(C#N)CC2)n1Cc1cccc(NC(=O)[C@H]2CCCO2)c1 1360192867 HGJLJAROBMGICM-HXUWFJFHSA-N 465.558 2.322 30 10 JEEE CN(Cc1ccccc1)C(=O)CNC(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1468098885 CBSQLDRHZDXSQH-UHFFFAOYSA-N 457.538 2.439 30 10 JEEE C=CCNC(=O)Nc1ccc(NC(=O)Nc2cnn(CC(=O)N3C[C@@H](C)O[C@H](C)C3)c2)cc1 1476235255 JPHOXPNJKCMFIR-HZPDHXFCSA-N 455.519 2.470 30 10 JEEE CCC[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc(F)c2C#N)CC1)OC 1500126727 FHDMZCZOPFIQSK-ZWKOTPCHSA-N 490.605 2.333 30 10 JEEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCC(C#N)CC3)n2CC(F)(F)c2ccccc2)C1 1505138146 AKRYPSIMYDDTDX-SFHVURJKSA-N 480.541 2.143 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1507624795 DJVIMGKVVYVIJE-WBVHZDCISA-N 466.991 2.469 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CC1(OC)CCCC1)[C@@H]1CCS(=O)(=O)C1 1507629720 WFOIXQNJGWMVCJ-HXUWFJFHSA-N 453.568 2.403 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H](C)c1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1507634336 JUPSVSRFFUSLGR-UZLBHIALSA-N 468.583 2.299 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1Cc1cccnc1OCC)[C@@H]1CCS(=O)(=O)C1 1507635289 RFBCJBVXBOWENA-LJQANCHMSA-N 486.623 2.103 30 10 JEEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1C[C@H](C)SC)[C@@H]1CCS(=O)(=O)C1 1507638472 FTBKCZFWMQDAJT-DLBZAZTESA-N 464.613 2.244 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCNC(=O)C(C)C 1507711086 NLGPTMYXRLNXSD-LJQANCHMSA-N 476.622 2.251 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H](C)CN(C)C(=O)OC(C)(C)C)CC1 1507719023 JXSUUCVUUBGFSX-NLFFAJNJSA-N 490.649 2.188 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(C)cc2OCC)CC1 1507734376 WRFMMHSJZVIUKV-UHFFFAOYSA-N 466.586 2.138 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 1507752340 YUHHLRDUJPCWPG-ICSRJNTNSA-N 493.699 2.022 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)c(OC)c2)n1CC1(O)CCS(=O)(=O)CC1 1507817166 QPBHUAKANJOUGV-UHFFFAOYSA-N 464.588 2.304 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(F)ccc1F 1507820209 AWCNZQPFMZBIEW-SFHVURJKSA-N 455.531 2.340 30 10 JEEE C=CCCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCO[C@H](C(=O)NC)C1 1507930378 BCHIMQRPDRPETP-FQEVSTJZSA-N 479.585 2.373 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(OC(C)C)CC1 1508072833 KTSYKDMMPKPODH-UHFFFAOYSA-N 461.588 2.045 30 10 JEEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H]1c1ccc(OC)c(OC)c1 1508095343 NREWKUUWUCOUCG-SFHVURJKSA-N 468.558 2.061 30 10 JEEE C[C@@H]([C@@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1ncccc1N(C)C)S(C)(=O)=O 1508434313 CBQKQLRGTXHIMN-MSOLQXFVSA-N 497.625 2.496 30 10 JEEE C#CCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(C(=O)NCCOC)CC1 1539123933 AAXZYTAPXVQBSN-NRFANRHFSA-N 453.543 2.183 30 10 JEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ccc(N2CCCC2)nc1 1539155259 TVWSESHGPRTAFC-UHFFFAOYSA-N 479.610 2.308 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCN(C)CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1539213397 ZIBBNWSQOZHDCV-HNNXBMFYSA-N 490.939 2.114 30 10 JEEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1CC(C)(C)CC=C)[C@@H]1CCS(=O)(=O)C1 1539230108 KFSDERGRYHEQKZ-QGZVFWFLSA-N 475.640 2.499 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1539231844 XQFWAXGQMXSJJB-FSGKZVOOSA-N 450.605 2.065 30 10 JEEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1ccc(I)cc1 1539273617 ZIGSEQDCKHMKJP-UHFFFAOYSA-N 473.318 2.126 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCc2nccn2C1 1539350502 NXZIUMBLOWCOOD-GOSISDBHSA-N 467.599 2.114 30 10 JEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C(C)(C)C)no1)C1CC1 1540109757 SQMGOIUZADBNIW-QGZVFWFLSA-N 464.592 2.100 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)c2c(F)cccc2F)CC1 1540870233 HVXJFMSIEDQXSN-SFHVURJKSA-N 474.512 2.063 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC[C@@](C)(OC)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1540876355 ORTCDKOOOWFWPI-SAHWJRBASA-N 462.595 2.356 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1540897223 DKHPXWZQJRZBBZ-PKOBYXMFSA-N 491.589 2.359 30 10 JEEE C#CCCN1CCN(C(=O)c2cccnc2SCC(=O)Nc2ccc3c(c2)OCO3)CC1 1542570549 UVZZWILXSKCJHV-UHFFFAOYSA-N 452.536 2.322 30 10 JEEE CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)c2ccsc2)CC1 1547259051 AAAGIWDSMVIIDL-UHFFFAOYSA-N 493.593 2.279 30 10 JEEE CCOC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2(S(C)(=O)=O)CCC2)C1 1547810310 GDQPMYIZZRLSHY-IBGZPJMESA-N 486.598 2.499 30 10 JEEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)c1cnn(C)c1C(F)(F)F 1561922305 IRESWDRRDJKUIT-UHFFFAOYSA-N 450.483 2.462 30 10 JEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCn1cc([C@H]2CCOC2)cn1 1587989901 QAIORYSCPXEHDU-ICSRJNTNSA-N 485.589 2.057 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H](CC(C)C)NC(=O)OCC)[C@H]1CCS(=O)(=O)C1 1588050186 PLJCTIOJCRDSMC-MSOLQXFVSA-N 476.603 2.061 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1CCOc1ncccc1F)[C@@H]1CCS(=O)(=O)C1 1588064392 HJKAVCQPXOBCRB-LJQANCHMSA-N 499.568 2.117 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1588064645 MKEHHWNAVUEQJA-IBGZPJMESA-N 463.629 2.077 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCNC(=O)C(C)C 1588233986 XVAJAEFGXLIQJA-HXUWFJFHSA-N 486.617 2.212 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCn1ccnc1C 1588233992 XXDBZMAHUMCZKO-HXUWFJFHSA-N 467.574 2.255 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccccn3)n2CC(F)(F)CNC(=O)OC(C)(C)C)CC1 1588801109 VIQQKUYSVBQHFH-UHFFFAOYSA-N 461.517 2.255 30 10 JEEE C=C(Br)Cn1c(Cc2ccccc2OC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1589427835 XRHAXLFDKFSKES-INIZCTEOSA-N 489.374 2.259 30 10 JEEE C=C(C)Cn1c(COc2ccc(OC)cc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1593671461 JNWLCBKTCSHSPK-UHFFFAOYSA-N 456.547 2.016 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCC(NC(=O)c2ccc(F)cc2)CC1 1595529696 DTLCDPGOSIXBAO-UHFFFAOYSA-N 451.506 2.113 30 10 JEEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](C)C[C@@H]1CC 1595820847 AAWNPGDXPJOQCK-HOTGVXAUSA-N 451.618 2.495 30 10 JEEE C=CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C(=O)COC)CC1 1595845634 XRDQXZBGUXNZQJ-UHFFFAOYSA-N 469.409 2.250 30 10 JEEE C=CCSCCn1c(-c2cccnc2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1595866592 QJJGXYQEONSXEM-UHFFFAOYSA-N 450.572 2.080 30 10 JEEE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3ccc(Cl)cc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1595978278 UQIMSLPLHLNXTL-JHGXHUTESA-N 497.987 2.430 30 10 JEEE C#CCN(CC(=O)Nc1cc(N2CCOCC2)c(Br)cn1)C(=O)OC(C)(C)C 1630009612 XAYCPAGRPRJHTL-UHFFFAOYSA-N 453.337 2.490 30 10 JEEE C#CC1(O)CCN(C(=O)c2cccc(NS(=O)(=O)c3ccc4c(c3)OCCCO4)c2)CC1 1641976811 VWUIGYNXCVNXMV-UHFFFAOYSA-N 456.520 2.249 30 10 JEEE CCOC(=O)c1c(NC(=O)N[C@@H]2CCN(c3ccc(C)cc3)C2=O)c(C#N)cn1CCOC 1660529926 CLOJPUSQFIKRIU-GOSISDBHSA-N 453.499 2.418 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CC2(O)CCCCC2)c1 1689868661 NNJOWCQDKYNTCH-UHFFFAOYSA-N 464.570 2.266 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCN1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1689982493 OQPRZIZWFLBCQB-SIKLNZKXSA-N 466.611 2.175 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Cl)n1Cc1cnn(C)c1C)[C@H]1CCS(=O)(=O)C1 1689986918 ZRZCGQUCLDAWBS-KRWDZBQOSA-N 458.975 2.315 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CCc1ccc(OC)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1689994236 USKQJRSOJHFJBX-HXUWFJFHSA-N 483.569 2.281 30 10 JEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1CCc1nccnc1C)[C@@H]1CCS(=O)(=O)C1 1689994372 WVWDZCUNMAPVNO-OAQYLSRUSA-N 494.621 2.040 30 10 JEEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1Cc1ccccc1F)[C@H]1CCS(=O)(=O)C1 1689995991 BTHCBENIJFVNHR-KRWDZBQOSA-N 487.582 2.084 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cccc2c1OCO2 1690103292 BQYGYNIALOVKIR-IBGZPJMESA-N 499.568 2.450 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)CCc1ccccc1 1690345718 BKYSSJPFBJTLKW-SFHVURJKSA-N 453.996 2.433 30 10 JEEE C=C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCCN2CCC[C@H]2C(=O)N(C)C)CC1 1690366377 YYGQNNMUVVFUTR-GBXCKJPGSA-N 460.623 2.029 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1690661133 VLNMGYLLJSMHGO-KFKAGJAMSA-N 471.514 2.233 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H]2CCOC2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1690683158 CMJNZLICBBBHBJ-LJQANCHMSA-N 475.615 2.303 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1690721136 YSQGOXZECJHVNV-IBGZPJMESA-N 451.556 2.145 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](C)C1 1690723874 CHPNOGFGIIHDQV-ROUUACIJSA-N 483.635 2.424 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@@H](CCC)C1 1690724739 VRNCBEUISPIMAC-FQEVSTJZSA-N 489.646 2.058 30 10 JEEE Cc1nc(CCn2c(-c3cccc(C#N)c3)nnc2N(C)CC(=O)N2CCOCC2)cs1 1693363493 GBUFARJTPASRSM-UHFFFAOYSA-N 451.556 2.119 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccc(C)n3)n2CCCc2cnn(C)n2)c1 1705504561 AFZOMVGVJUEVGC-UHFFFAOYSA-N 469.553 2.466 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCCOC)[C@H]1CCS(=O)(=O)C1 1705560062 IBUVTSNLZADEKN-WMZOPIPTSA-N 450.536 2.220 30 10 JEEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1Cc1cc(C)nn1C)[C@H]1CCS(=O)(=O)C1 1705568397 MXSFKJILERPSEN-FQEVSTJZSA-N 482.610 2.191 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1nncn1CC 1705627756 ONUDTWJIQAZJCZ-SFHVURJKSA-N 472.594 2.138 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C)cc2OCC(F)(F)F)CC1 1705638543 NVKRLPIVTHYDIG-SFHVURJKSA-N 476.503 2.282 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](OCC)c2ccccc2)CC1 1705644713 ZXHZBBQCUIYBIP-NRFANRHFSA-N 466.586 2.160 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccccc2CN(C)C(C)C)CC1 1705647472 HAGPLBSOKGAETC-HSZRJFAPSA-N 491.640 2.084 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@](C)(O)c2ccc(F)cc2)CC1 1705649368 UZJSSGHVYSSAAA-VWLOTQADSA-N 462.529 2.353 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2Cc2cccc(C(=O)NC)c2)CC1 1705649562 AWSPEWJZGXBGHK-UHFFFAOYSA-N 462.598 2.385 30 10 JEEE C=CCCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(CC(=O)N(C)C)CC1 1705804604 HCHQXMKFRZTMFS-UHFFFAOYSA-N 464.574 2.160 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](c2nc(C)c(C)s2)C1 1705934366 KBTYZMFMQSOZRU-IAGOWNOFSA-N 478.644 2.287 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2OC)nnc1N1CC[C@H]2OCCC[C@H]2C1 1705938268 SVHZELMOAFBSSW-RBUKOAKNSA-N 476.599 2.472 30 10 JEEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CC[S@@](=O)C(C)(C)C 1706832108 HYNFCCPIHHPBBN-PEGYKEAPSA-N 451.618 2.233 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCN1CCCCC1=O 1722278683 MVEIDGXXOZNISL-QGZVFWFLSA-N 471.631 2.407 30 10 JEEE C#CCCCCn1c(N2CCC(C(=O)N3CCOCC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1722323781 XNSFXPZYDCGBRU-VWLOTQADSA-N 473.618 2.197 30 10 JEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](CC2CC2)C1 1722324220 NEWUYIIAQPTWTB-QXAKKESOSA-N 494.662 2.431 30 10 JEEE C#CCN(c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H](OC)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1722368646 UHOONDKRUIOTAD-JRGCBEDISA-N 488.610 2.478 30 10 JEEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@H]1CCOC[C@@H]1C 1722386262 YYKCMZGEFMZGPZ-ZEQRLZLVSA-N 460.626 2.388 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H]1NC(=O)CC1(C)C 1722387995 NEVLPMYIFHDWGE-ZWKOTPCHSA-N 454.575 2.338 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C(CC)CC)N(C)C)CC1 1722428798 ATCBFBVDMHTYTC-HXUWFJFHSA-N 452.607 2.047 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCOC(C)C)CC1 1722444364 XZJMPOUHYGTAML-UHFFFAOYSA-N 487.626 2.130 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2CCCN2CCCC2)CC1 1722445112 LRKWZBKERBKRTQ-UHFFFAOYSA-N 450.587 2.405 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 1722504894 IDONQLBBSKYCTJ-DOSUHQCWSA-N 488.614 2.055 30 10 JEEE C=CC[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)NCC)CC1)c1ccccc1 1722595503 WXXYVITWEAPEOT-WOJBJXKFSA-N 451.575 2.441 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCN1S(C)(=O)=O 1722689068 FBSRKTUOAOTBED-OAQYLSRUSA-N 486.642 2.173 30 10 JEEE CCS(=O)(=O)NCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@H](C)CC#N 1729224839 DZGXHCKBZJYYSL-IAGOWNOFSA-N 483.639 2.070 30 10 JEEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)N2C[C@@H](C)O[C@H](C)C2)CCO1 1730609040 GBPBDDAZNKNAPC-VIZSFHNOSA-N 498.628 2.468 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc(OC(F)(F)F)cc1 1740533087 ONBVCYHPVZGFPM-ZIAGYGMSSA-N 459.494 2.488 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2C[C@H]2CC[C@@]3(CCOC3)O2)c1 1740565133 KECHGZXCLMFVTH-YKSBVNFPSA-N 453.543 2.209 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H](OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1740621087 TUENDVMNRSPEHK-DYESRHJHSA-N 474.583 2.014 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@@H]1CCN(CC)C1)[C@@H]1CCS(=O)(=O)C1 1740623730 AAGCIPRJSANRKV-FGZHOGPDSA-N 455.628 2.032 30 10 JEEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc(OC)c(Br)c1 1740662489 STRYKSMTPOFPEL-CQSZACIVSA-N 484.420 2.362 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CC2CCN(CC(F)(F)F)CC2)CC1 1740697694 CPKYCQFBCULMRY-UHFFFAOYSA-N 461.536 2.293 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CCCN2CCCCCC2=O)CC1 1740704454 OLWDDMHOGQWWHT-UHFFFAOYSA-N 477.613 2.407 30 10 JEEE C=C(C)COCCn1c(COc2ccccc2OC)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1740796655 FSDAGKDMRXIOFQ-SFHVURJKSA-N 456.547 2.014 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCN2C(=O)OC[C@H]2C1 1740964610 RQLNODZBBDEEMF-GOSISDBHSA-N 468.558 2.098 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCCn2cc(Br)cn2)C1 1740979252 IFRYEDKTDASXNB-SJORKVTESA-N 478.395 2.450 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N1CCC(C#N)CC1 1740986749 GPNLPQORBRMIAW-UHFFFAOYSA-N 467.393 2.387 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1740986850 JGZBEQMPVFOSSA-IRXDYDNUSA-N 495.577 2.435 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCC(C(=O)N3CCCCC3)CC2)nnc1C(C)(C)C 1740994363 QKKLQSRSEZKGRK-UHFFFAOYSA-N 451.637 2.405 30 10 JEEE CC(C)NC(=O)CN(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1cnn2ccccc12 1741696245 CQGFFSOQNYDOGP-UHFFFAOYSA-N 458.526 2.386 30 10 JEEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CCCO1 1743244212 GWRFTULLMYLEKD-SIKLNZKXSA-N 465.602 2.375 30 10 JEEE CCOc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1CC(C)(C)N1CCOCC1 1746888629 CATPUEOECZZEOU-LJQANCHMSA-N 470.574 2.095 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H]1CCCN(C(C)=O)C1 1748665489 RORDOWXQHYQLHD-MJGOQNOKSA-N 461.570 2.391 30 10 JEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C(=O)N(C)c2ccccc2)C1 1748752037 QUKJXJQOVSSIQY-MOPGFXCFSA-N 455.584 2.083 30 10 JEEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H](C(C)C)N1CCOCC1 1748868026 QBCGRRUKNCGLBZ-DHLKQENFSA-N 457.619 2.138 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC[C@](C)(O)c2ccccc2)CC1 1749003458 KONHFIHIGVPOJP-SVBPBHIXSA-N 495.624 2.194 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1CCS(=O)(=O)CC1 1749056484 ZWJHOXMLYFUXSP-FGZHOGPDSA-N 450.605 2.136 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@](C)(CC)C1 1749368924 UFUNORKHQSHUPW-UTKZUKDTSA-N 455.625 2.219 30 10 JEEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1ccc(OC)nc1 1749597190 ARLLOAGZONTCQQ-UHFFFAOYSA-N 461.526 2.283 30 10 JEEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(c2ccccn2)CC1 1749671547 DUOKHNAEYWILJV-UHFFFAOYSA-N 453.497 2.171 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1cc(F)cc(F)c1 1749721326 HGTPVWQOWXCHGL-UHFFFAOYSA-N 476.509 2.441 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(F)cc2Br)nnc1N(C)CCC(=O)NC 1749727371 TUECIHYWRFRNEH-UHFFFAOYSA-N 488.383 2.020 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@]1(N(C)C)CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1760185302 VBYKZLDULCZBTQ-NMMYMHLASA-N 472.659 2.421 30 10 JEEE C#CCN(c1nnc(-c2cnn(-c3ccccc3)c2)n1CC(C)(C)OC)[C@@H]1CCS(=O)(=O)C1 1760188700 LUNKHNKNFLUAOY-HXUWFJFHSA-N 468.583 2.183 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H](c2cccc(OC)c2)N(C)C)CC1 1760256736 JPXWGHHLZMXVSS-SQHAQQRYSA-N 496.656 2.385 30 10 JEEE C#CCN1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCc2ccn(C)n2)CC1 1760260201 WLYANXQEARXXBK-UHFFFAOYSA-N 482.633 2.124 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCNS(=O)(=O)CC 1760293691 BCXIGDHJMRUNET-FDDCHVKYSA-N 494.662 2.324 30 10 JEEE C=C(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1760341173 FGXFIRWNXPQDKN-KRWDZBQOSA-N 451.980 2.451 30 10 JEEE C=C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1760384007 HFTIMWSTSBWYDU-IBGZPJMESA-N 472.615 2.267 30 10 JEEE C=CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1760437970 ULIQDTPZQKEVMJ-VQIMIIECSA-N 466.542 2.001 30 10 JEEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)NC(=O)OC(C)(C)C)C1CC1 1760470058 KOCBEJJVJOXNNQ-AWEZNQCLSA-N 456.613 2.346 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CC(=O)N(C)[C@@H](C)C1 1760550964 OWLXIMWQOYSUDD-HOTGVXAUSA-N 477.656 2.399 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@@H]1C(C)C 1760554247 WWBJFJGOPRSMLP-LJQANCHMSA-N 470.599 2.418 30 10 JEEE Cc1ccsc1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1761630594 AKZWARSHRGTFTA-UHFFFAOYSA-N 467.603 2.075 30 10 JEEE CCOC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(N(C)C)CCOCC2)CC1 1767289845 BHNDMMZZUYJDAZ-UHFFFAOYSA-N 497.600 2.118 30 10 JEEE CNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCN(C(C)C)C2)CC1 1767837700 CMZFSMAJUMZIAV-OAQYLSRUSA-N 480.617 2.311 30 10 JEEE COC[C@H]1CCCCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCCS2(=O)=O)C1 1769397677 AEAOGGCLEYGBME-IBGZPJMESA-N 458.588 2.105 30 10 JEEE CS(=O)(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCCCC2=O)C1 1771345487 FYLOGIKLDOBLCM-HXUWFJFHSA-N 470.599 2.233 30 10 JEEE O=C(COCC1[C@H]2CCC#CCC[C@H]12)NCCOCCNC(=O)COC[C@@H]1[C@H]2CCC#CCC[C@H]21 1857792303 ZVQLLJYKJNISBS-IIDPJMFPSA-N 484.637 2.148 30 10 JEEE N#C[C@@H](c1cccc(Br)c1)N1CCN(C(=O)CN2C(=O)c3ccccc3C2=O)CC1 1857957265 MVVGFRGQAVPQOZ-IBGZPJMESA-N 467.323 2.454 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)[C@H](C)N3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)cc21 1858630287 RIEZREKAPCQZLS-IBGZPJMESA-N 483.590 2.484 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)[C@@H](C)Oc3cccnc3NC(=O)N(C)CC(=O)O)cc21 1858830469 ZCHITCIFVHDHBH-CQSZACIVSA-N 468.466 2.192 30 10 JEEE C=CCNC(=O)[C@H]1C[C@@H](O)CN1C(=O)c1ccc2nc(Cc3ccc(OC)c(OC)c3)[nH]c2c1 1860974213 ZOPVENBZOWKMAO-YLJYHZDGSA-N 464.522 2.049 30 10 JEEE CCN(CC)CCNC(=O)c1ccc(-n2nnc(C#N)c2NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 1870139346 LQWNOUHRLGATRT-UHFFFAOYSA-N 476.497 2.371 30 10 JEEE N#Cc1ccc(Nc2nc(N3CCC4(CC3)OCCO4)nc(N3CCC4(CC3)OCCO4)n2)cc1 1871731007 MIVLQEYAVLNFAP-UHFFFAOYSA-N 479.541 2.173 30 10 JEEE CCN1CCN(CC#CCOC2CCN(S(=O)(=O)c3cc(C)c(OC)cc3C)CC2)CC1 1889755843 VFSXRXIIHVXLLC-UHFFFAOYSA-N 463.644 2.123 30 10 JEEE CC(C)(C)OC(=O)N[C@]1(C(=O)N2CCC[C@H](B3OC(C)(C)C(C)(C)O3)C2)CCS(=O)(=O)C1 2124543153 NWIUSIZFLLDZEY-YCRPNKLZSA-N 472.413 2.153 30 10 JEEE CC(C)(C)OC(=O)N[C@]1(C(=O)NCCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CCOC1 2180972635 NLPDDMDKGIHTPQ-XMMPIXPASA-N 460.380 2.328 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H](CCO)C2)C1 2255156849 SNKWSLZEJLQJFH-WCCYLALTSA-N 451.564 2.123 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CC[C@H]1NC(=O)OCc1ccccc1 2255635515 HPFXYDCTFHXUMY-QZTJIDSGSA-N 468.363 2.215 30 10 JEEE CN(C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CC[C@@H]1NC(=O)OCc1ccccc1 2255648953 OWNDEMRIISFRAJ-RBUKOAKNSA-N 468.363 2.249 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1CCO[C@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2256618234 OUPXGJFPJGAXIQ-TZMCWYRMSA-N 453.370 2.311 30 10 JEEE C[C@@H](O)CN(CCNC(=O)OC(C)(C)C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2257633395 KZHHOESHQCTQSN-CQSZACIVSA-N 454.398 2.395 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)CC[C@H]1CO 2267526580 UTDSFMBYNWDJDE-HOCLYGCPSA-N 466.409 2.395 30 10 JEEE Cc1sc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)c(C)c1B1OC(C)(C)C(C)(C)O1 2267576030 KSQVBDDPHDEKMQ-HUUCEWRRSA-N 466.409 2.374 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H](C(=O)NCc2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2268628014 BHKKAYLLEORMIW-GJZGRUSLSA-N 466.409 2.281 30 10 JEEE C=CCN(CC(=C)B1OC(C)(C)C(C)(C)O1)C(=O)[C@H](CCC(N)=O)NC(=O)OC(C)(C)C 2268711079 KNYWFVULOGRKEB-INIZCTEOSA-N 451.373 2.347 30 10 JEEE Cn1nc(C(=O)N2C[C@@H](NC(=O)OC(C)(C)C)CC(C)(C)C2)cc1B1OC(C)(C)C(C)(C)O1 2281961494 NBCBVNYREDWCRO-HNNXBMFYSA-N 462.400 2.485 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1COCCN(C(=O)OC(C)(C)C)C1 2281963189 IXKIUWQUNBHTNT-HNNXBMFYSA-N 481.424 2.364 30 10 JEEE Cc1c(B2OC(C)(C)C(C)(C)O2)cccc1C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O 2282121766 UQLGXFDWPMOQDK-MOPGFXCFSA-N 460.380 2.394 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NC[C@H]2CCCCN2Cc2ccccc2)n1 2282408514 ISUKRRREYCEAOI-LJQANCHMSA-N 474.436 2.052 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2CCO[C@]2(CNC(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)C1 2282517349 ANMXNDWAKSWMPJ-JLCFBVMHSA-N 479.408 2.198 30 10 JEEE C[C@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)C[C@H]1CCNC(=O)OC(C)(C)C 2282541144 TUPVDKDDNWUHOU-JKSUJKDBSA-N 462.400 2.342 30 10 JEEE Cn1cc(C(=O)N2C[C@@H]3CCC[C@@]3(NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2282583222 HDRAKGUXUIYXNB-NPMXOYFQSA-N 460.384 2.239 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2282589283 LRCWEZHHQAGTKP-GOEBONIOSA-N 462.400 2.403 30 10 JEEE Cc1nsc(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 2282593193 MZJUOZKPGRCJOC-KFWWJZLASA-N 479.408 2.115 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2C[C@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)n1 2282593455 QUMCKPGKPZQDJI-USXIJHARSA-N 460.384 2.330 30 10 JEEE Cn1nc(C(=O)NC[C@]2(F)C[C@@H](CNC(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2282614908 VQWVMZKLTAWWET-XLOAEROZSA-N 466.363 2.092 30 10 JEEE CC(C)(C)OC(=O)NCC1(NC(=O)c2cc(F)c(B3OC(C)(C)C(C)(C)O3)cc2F)COC1 2282705043 SKHDOYUFIDNATN-UHFFFAOYSA-N 468.306 2.288 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CN(S(=O)(=O)Cc3ncsc3B3OC(C)(C)C(C)(C)O3)C[C@H]2C1 2282830979 CQBCEHFDNMSLBS-HUUCEWRRSA-N 499.464 2.071 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2CN(S(=O)(=O)c3ccccc3B3OC(C)(C)C(C)(C)O3)C[C@@H]2C1 2282865971 BFPGVTGURIDFHB-IRXDYDNUSA-N 478.420 2.473 30 10 JEEE CC1(C)OB(c2sccc2CS(=O)(=O)N2CCC[C@H](CNC(=O)C(F)(F)F)C2)OC1(C)C 2282870130 NGNIBIOMYCIGDJ-CYBMUJFWSA-N 496.382 2.268 30 10 JEEE CC1(C)OB(c2ccc(O)c(C(=O)NC[C@@H]3CN(C(=O)OCc4ccccc4)CCO3)c2)OC1(C)C 2282971943 JJTQBGNGXDITID-HXUWFJFHSA-N 496.369 2.459 30 10 JEEE COC[C@]1(C(=O)N2CCC(=CB3OC(C)(C)C(C)(C)O3)C2)CN(C(=O)OC(C)(C)C)CCO1 2283960156 VEAQFRBACCGBNG-QHCPKHFHSA-N 466.384 2.429 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)OCC1(C)C 2284012197 TZKPXRZCWFPZCP-OAHLLOKOSA-N 481.424 2.473 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)NC[C@@H]1CCCN(C(=O)C(F)(F)F)C1 2285204482 SXHJSWNAIHKIGO-AWEZNQCLSA-N 455.286 2.220 30 10 JEEE NC(=O)CSc1nnc([C@@H]2CC(=O)N(Cc3ccccc3)C2)n1N=Cc1ccccc1[N+](=O)[O-] 2325917836 PYSOBMYKBUFWPY-QGZVFWFLSA-N 479.522 2.162 30 10 JEEE COC(=O)c1ccc(C=Nn2c(Cc3ccccc3[N+](=O)[O-])nnc2SCC(N)=O)cc1 2328468692 KPFJVOUZXTXDNP-UHFFFAOYSA-N 454.468 2.023 30 10 JEEE CC(C)N1C[C@@H](c2nnc(SCCCO)n2N=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1=O 2329045376 ZDFOJCYMLWSWCK-HNNXBMFYSA-N 490.542 2.039 30 10 JEEE CN1CCN(c2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)[C@H](CNC(=O)OC(C)(C)C)C1 2345735022 MYRXPYMLKQBAMU-OAHLLOKOSA-N 450.364 2.165 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 2362357574 ONKHIRNRHVKZTG-HZPDHXFCSA-N 460.384 2.048 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@H]2C)n1C 2362493474 IUPMRJLXKCBWIM-HUUCEWRRSA-N 462.400 2.498 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@H](C(=O)N3CC[C@](C)(B4OC(C)(C)C(C)(C)O4)C3)O[C@@H]2C1 2368439230 VGJIAUAYSXUOOM-HGFRQNNFSA-N 466.384 2.475 30 10 JEEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@H](CCO)COCc3ccccc3)c(F)c2)OC1(C)C 2369622162 UAEDNRLAFVMJBT-LJQANCHMSA-N 479.379 2.371 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)N(C)CC(=O)Nc3ccccc3Cl)cc2C1=O 9702182 WMGCMTKJWVBUIO-UHFFFAOYSA-N 469.881 2.376 30 10 JEEE CCOc1cc(OCC)c([N+](=O)[O-])cc1/C=N/NS(=O)(=O)c1ccc2[nH]c(=O)oc2c1 169907840 IBWVEDUVUBBYPY-VXLYETTFSA-N 450.429 2.139 30 10 JEEE Cc1nn(C(C)C)c(C)c1C=NNc1nnc(SCC(=O)Nc2cccc(C#N)c2)n1N 1084175070 MTFYPEFUQDCNSJ-UHFFFAOYSA-N 452.548 2.435 30 10 JEEE CC(C)NS(=O)(=O)c1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)ccc1F 1126947769 BVISSFMQZVSDJX-HNNXBMFYSA-N 454.524 2.097 30 10 JEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(CC(=O)Nc3ccccc3F)CC2)c1 1153529179 IBOZSCCPDCNNOF-UHFFFAOYSA-N 457.527 2.019 30 10 JEEE COCc1cc(C(=O)OC)cc(S(=O)(=O)NCc2cn(C)nc2-c2ccc(C#N)cc2)c1 1189107057 GQNXVUJFPSOXOY-UHFFFAOYSA-N 454.508 2.370 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Cl)n1CC(C)(C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1286386645 FHHQQIXIMLYEJE-SFHVURJKSA-N 492.045 2.336 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCOc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1286390759 CCSIIUAENNAEFU-UYAOXDASSA-N 462.547 2.365 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCCn1cc(Br)cn1 1286430279 GMBDODPDENOZHP-KRWDZBQOSA-N 493.431 2.083 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)c1cccc(F)c1 1286431662 QDNYSPNHOSHGFL-OAQYLSRUSA-N 487.601 2.191 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cccc(Cl)c2C)CC1 1286494070 RFCUXTLCKIVMNO-LJQANCHMSA-N 490.029 2.156 30 10 JEEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1286718275 DFBIIMUJORFQGM-UHFFFAOYSA-N 486.598 2.226 30 10 JEEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2ccccc2F)C[C@H]1C 1286791098 UKEPODBYWNGONI-QGZVFWFLSA-N 497.600 2.426 30 10 JEEE CC(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCOC[C@H]2CCCO2)CC1 1286864132 LPEDVSFRJMVYGY-JOCHJYFZSA-N 452.559 2.461 30 10 JEEE C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CN(Cc3ccccc3)C[C@]2(C)c2ccccc2)CC1 1292889593 HFNBYCOGJVCQFM-GGXMVOPNSA-N 472.633 2.360 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H](c1cccc(F)c1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1300487950 NQBKPYXWPKREFE-IRLDBZIGSA-N 482.585 2.409 30 10 JEEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1CC(=C)Br)[C@@H]1CCS(=O)(=O)C1 1300501349 KAUHGPOPRLHHQZ-QGZVFWFLSA-N 489.399 2.052 30 10 JEEE C#CCN(c1nnc(COc2ccccc2OC)n1Cc1ccc(F)cn1)[C@@H]1CCS(=O)(=O)C1 1300503243 BVBCCXSTNMGYFP-LJQANCHMSA-N 485.541 2.075 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1C[C@@H]1NC(=O)CC1(C)C)[C@@H]1CCS(=O)(=O)C1 1300504359 MPNMCYZBQBHVHH-CTNGQTDRSA-N 499.637 2.015 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ncccc1C 1300537297 DCQQNKKRXYIXDL-HXUWFJFHSA-N 450.543 2.411 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCC2(CCCCC2)O1 1300672390 ZWXLRAHTGASJPH-OALUTQOASA-N 450.605 2.148 30 10 JEEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1300755563 WWZSVMHWVJBRRK-UHFFFAOYSA-N 451.556 2.274 30 10 JEEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1300830699 JKOPXVREIWMYNG-KRWDZBQOSA-N 482.427 2.357 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1300884063 GTZOJIOPMWBDTE-ZVDOUQERSA-N 481.663 2.404 30 10 JEEE C=C(C)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCN(CC(=O)NCCOC)CC1 1300946059 BNZYCVMUPJHNBS-UHFFFAOYSA-N 465.558 2.061 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1Br 1301297675 SOFCQEUMOAGRJZ-INIZCTEOSA-N 470.393 2.044 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCC(CNC(C)=O)CC1 1301587503 PXJHBMKWMVQXRT-UHFFFAOYSA-N 481.569 2.100 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCC[C@@H](CC(N)=O)C2)nnc1C1(c2ccccc2)CCC1 1301596353 MGFMCBPHCFNXJV-IBGZPJMESA-N 471.627 2.441 30 10 JEEE Cc1nccnc1CCn1c([C@H](C)NS(C)(=O)=O)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1304717010 HXHOCRYENRHPDP-KRWDZBQOSA-N 480.598 2.270 30 10 JEEE CCN1CCN(CCCn2c(Cc3ccccc3OC)nnc2N2CC[C@@](F)(C#N)C2)CC1 1313960447 HITWINBBWVNOMU-XMMPIXPASA-N 455.582 2.347 30 10 JEEE CCS(=O)(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1CC1(S(C)(=O)=O)CCCC1 1314522250 HCXXXXUCWDYVQM-UHFFFAOYSA-N 479.628 2.045 30 10 JEEE CO[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1)C(C)C 1315193276 AOHNEYSCRFLUEH-NHCUHLMSSA-N 472.615 2.492 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1c(C)nn(C)c1C 1316089284 CNQZLOJJQXSYNC-OAQYLSRUSA-N 497.625 2.104 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCOC(C)C)c1 1358902817 ZYGBSEVGIWGRRE-LJQANCHMSA-N 473.599 2.052 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCOCCC=C)[C@H]1CCS(=O)(=O)C1 1358956894 MCRBABMICCFVPC-INIZCTEOSA-N 482.404 2.255 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H](c1ccccc1)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1358960607 IKBUEBQSVGKHFZ-GOTSBHOMSA-N 495.653 2.388 30 10 JEEE C#CCN(CC#CC)c1nnc(CCc2ccc(OC)cc2)n1CC1CCS(=O)(=O)CC1 1358996583 KBLJJWLRTHMMEL-UHFFFAOYSA-N 454.596 2.360 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1359098022 WOBGZWRIFHRYGE-IPJJNNNSSA-N 455.607 2.291 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCC(N(C)C(=O)OCC)CC1 1359334156 VOYWWQPHYWYKBZ-UHFFFAOYSA-N 496.659 2.292 30 10 JEEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@H]1CCCc2c1cnn2C 1359337057 IZJYPTMDPBUABI-HOCLYGCPSA-N 453.638 2.055 30 10 JEEE CC(C)NC(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1360268222 AQMZBCJAACWHQW-GOSISDBHSA-N 491.575 2.299 30 10 JEEE N#Cc1cc(S(=O)(=O)NCCn2cc(Br)ccc2=O)ccc1C(F)(F)F 1475339769 FSJNITHIXFHEEU-UHFFFAOYSA-N 450.236 2.480 30 10 JEEE N#Cc1c(Br)cccc1S(=O)(=O)NCCN1Cc2ccccc2OCC1=O 1475664719 DRJZZKALIJGBTP-UHFFFAOYSA-N 450.314 2.020 30 10 JEEE CCN(CC)C(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCCO2)CC1 1501779967 DBQYAQNUEIKQDG-QFIPXVFZSA-N 465.602 2.376 30 10 JEEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1C[C@@H](C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1507625547 KCHXWULOLCBZJU-AKIFATBCSA-N 485.654 2.167 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1CCCCN1C[C@@H](C)C[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1507630530 BJMQHTRGCLXJGB-HBMCJLEFSA-N 485.658 2.120 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1ccccc1COCC)[C@@H]1CCS(=O)(=O)C1 1507635735 UYJKEJRMNVGLLN-HSZRJFAPSA-N 479.606 2.475 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCC(=O)NC(C)(C)C 1507663335 XUAVQNGGFVCQMY-UHFFFAOYSA-N 455.584 2.116 30 10 JEEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccncc1Cl 1507709936 GBOIPMOJQRCMGQ-UHFFFAOYSA-N 473.990 2.421 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(C)n(C)c2=O)n1 1507717215 RLIZVAPNMZFOMG-UHFFFAOYSA-N 496.575 2.355 30 10 JEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 1507740445 AGNMOZHESBNXCV-GOSISDBHSA-N 460.648 2.259 30 10 JEEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1507792072 WGYYISSFOLOMLT-JYJNAYRXSA-N 477.425 2.314 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2Cl)nnc1N(C)C[C@@H](C)C(=O)NC 1508078405 YFAPNGIWIKBLBS-GFCCVEGCSA-N 483.798 2.482 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCOCC(F)F)C1 1508117011 KIRKSUSMLDWLPP-OAHLLOKOSA-N 460.485 2.255 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(N(CC)CC)nc2)C1 1508122135 CLZRDCLSHWNJKJ-PMACEKPBSA-N 474.631 2.251 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1cccc(C(F)(F)F)n1 1510192915 DMYHQDJRWVIUJL-FZKQIMNGSA-N 471.509 2.480 30 10 JEEE CCO[C@@H]1C[C@@H](N(C)c2nnc(-c3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)C1(C)C 1516376256 FWQKLRDONLBIKZ-WOJBJXKFSA-N 472.615 2.492 30 10 JEEE COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCn2cc(Br)cn2)cc1 1518164411 GYCDIDDOAKHUTJ-QGZVFWFLSA-N 458.320 2.342 30 10 JEEE C#CCn1ccc(CN(CCOC)C(=O)CN(C)C(=O)c2ccc(Br)s2)n1 1520239554 POLWXCVFJSPGAZ-UHFFFAOYSA-N 453.362 2.088 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CCN(CC)C(C)C)c1 1539037581 HJTTZVSRWPZYQX-UHFFFAOYSA-N 465.602 2.301 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCCS1)[C@H]1CCS(=O)(=O)C1 1539206916 XAEGRAYISWOKKO-ZWKOTPCHSA-N 461.569 2.376 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CCN(C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1539225884 RWIZIBKZJNPRPA-QHCPKHFHSA-N 478.622 2.023 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(Br)cc2)n1CCCn1cc(CO)nn1 1539304913 JOSZTLPTMADZBP-UHFFFAOYSA-N 468.359 2.345 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(C)n2)n1CCNS(=O)(=O)c1ccc(C)s1 1539315119 FAGKIRVXIZBTEC-UHFFFAOYSA-N 468.608 2.460 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@]1(C)CN(C2CC2)C1=O 1539422710 IIGYREFKLKTYMM-FUMQJTLXSA-N 486.617 2.146 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H](OC)[C@H](C)CC)CC1 1539434613 PTRKOZNRHXBWJM-NQIIRXRSSA-N 459.616 2.165 30 10 JEEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 1539534111 ZBCWCVDCZZMMRO-XVAXZDLZSA-N 474.675 2.313 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1539622346 WNQYHDOAMVMZHI-NFBKMPQASA-N 497.600 2.481 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCOC[C@@H](C3CCC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1540908960 SPRGZAUFXGTSSO-NZQKXSOJSA-N 482.647 2.172 30 10 JEEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(F)(F)F)CC1 1540917274 RHANIDOUXXEHNQ-HNNXBMFYSA-N 483.582 2.309 30 10 JEEE CCn1cccc(Cn2c(COc3ccc(C#N)cc3)nnc2N2C[C@H](C)O[C@H](COC)C2)c1=O 1547627526 CWHHAESEQJTCJS-AVRDEDQJSA-N 478.553 2.199 30 10 JEEE CN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 1552729064 HNPHLDUYYROCDM-UHFFFAOYSA-N 453.547 2.398 30 10 JEEE COCCN1C[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N(C)C[C@@H]2CCCOC2)CC1=O 1555573923 DBRKRGYGLQOZRO-VQTJNVASSA-N 452.559 2.174 30 10 JEEE C#CCN1CCC[C@H](NC(=O)c2cc(S(=O)(=O)NCC(C)C)ccc2Br)C1 1558328584 BJZCPUJQMXFEBE-HNNXBMFYSA-N 456.406 2.211 30 10 JEEE C#CCN(c1nnc(CC)n1CC(C)(C)c1ccc2c(c1)OCCO2)[C@H]1CCS(=O)(=O)C1 1588059061 IQUJRKFKOKDSDD-SFHVURJKSA-N 458.584 2.216 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCOC[C@@H]1CCCO1 1588144147 VFRKJURNWNENFS-SFTDATJTSA-N 487.601 2.245 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2OCC[C@H]2COC)n1CCC(=O)N1CCOCC1 1588560110 NAKWYZUCQXKFHO-REWPJTCUSA-N 485.560 2.030 30 10 JEEE C#CCSCCn1c(CCc2ccccc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1589097044 MBNDYESQGJEPMM-UHFFFAOYSA-N 461.657 2.290 30 10 JEEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1589287491 AKKLJDTVBWTLEJ-UHFFFAOYSA-N 453.385 2.117 30 10 JEEE C#CCNS(=O)(=O)c1ccc(C(=O)NCC2(N(C)Cc3ccccc3)CCOCC2)cc1 1595056399 FPWFRFWQYCJLEW-UHFFFAOYSA-N 455.580 2.009 30 10 JEEE C=CCOc1ccc(Cn2c(N3CCNC(=O)CC3)nnc2[C@@]2(OC(C)C)CCOC2)cc1 1595639852 MKJXXNBEGWPLFD-XMMPIXPASA-N 455.559 2.258 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCN2CCCS2(=O)=O)C1 1595699020 AOSYTPBKLPDIST-GOSISDBHSA-N 451.980 2.415 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@H](OC)C(C)(C)C1 1595766352 PTLCZXHZWJVEIU-IBGZPJMESA-N 464.588 2.424 30 10 JEEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCOCC(F)F)[C@H](C)C1 1596250750 VVKOVLHKYUOPRB-MRXNPFEDSA-N 462.501 2.458 30 10 JEEE CC#CCCNC(=O)c1n[nH]c(C2CN(C(=O)OC(C)(C)C)C2)c1I 1624092944 KDKYDFIFCRBAPI-UHFFFAOYSA-N 458.300 2.492 30 10 JEEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCC(NC(=O)c3ccccc3)CC2)CC1 1652546463 GKMFAPMGGQWNAQ-NRFANRHFSA-N 451.596 2.351 30 10 JEEE N#Cc1cc(F)c(S(=O)(=O)N2CCC([C@@H]3OCC[C@H]3NC(=O)C(F)(F)F)CC2)c(F)c1 1663324844 DSWRHASSSWOMLH-CABCVRRESA-N 467.416 2.073 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCNC(=O)C1CCC1 1689851365 PISQSBQOHBBMBQ-GOSISDBHSA-N 450.591 2.216 30 10 JEEE C#CCCCn1c(N2CCN([C@H](C(N)=O)c3ccccc3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1689941831 VLSIJURHBUPYSX-NVQXNPDNSA-N 480.613 2.081 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC(O)(CCC)CCC)[C@H]1CCS(=O)(=O)C1 1689990174 MKDYAAUZZJHIJF-MOPGFXCFSA-N 452.621 2.130 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1C[C@@H](c1cccc(OC)c1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1689992276 IZAFJEFZOIPLBG-IRLDBZIGSA-N 473.643 2.415 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CC12CCOCC2 1690095746 BPJSPAADWXPKBI-IBGZPJMESA-N 458.584 2.251 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Br)c3)n2CCOCCCO)CC1 1690137984 OEIRELGEHQLQPK-UHFFFAOYSA-N 490.402 2.072 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1690260240 DPGPQKYCVJPRKE-QFIPXVFZSA-N 464.588 2.304 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)COc2ccc(F)cc2)CC1 1690311719 SEZSJDSKKUPKFN-LJQANCHMSA-N 473.549 2.241 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(=O)CC2CCCC2)CC1 1690313630 ZNJYRYRCEPZGOX-NRFANRHFSA-N 493.674 2.392 30 10 JEEE C=CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1690636376 WUPMVRDPBAKLGN-UHFFFAOYSA-N 490.611 2.424 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCOC3)n2CCNS(=O)(=O)c2ccc(C)s2)C1 1690700016 MOHAZIIAZWOICG-ROUUACIJSA-N 481.644 2.302 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCC(N2CCCCC2)CC1 1690726801 LWKBGSCOKLERHM-UHFFFAOYSA-N 458.632 2.319 30 10 JEEE CCOCc1nnc(N2CCCN(c3ccccc3C#N)CC2)n1C[C@@H]1CCCN1CCCO 1696318800 CDBMOHRUBJDBKU-QFIPXVFZSA-N 467.618 2.250 30 10 JEEE COc1ccc(Cn2c(CNC(=O)c3cccs3)nnc2N(C)[C@H](C)CC#N)c(OC)n1 1697458501 BZOASQQAYIVYOV-CQSZACIVSA-N 455.544 2.468 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)Nc3ccccn3)n2CC[C@H]2CCOC2)c1 1705504336 TUPNJPZWGVWGTA-IBGZPJMESA-N 473.537 2.408 30 10 JEEE C#CCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1705528989 ZLSVXHLSVOKQHB-IEBWSBKVSA-N 453.543 2.455 30 10 JEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCN1c1cnn(C)c1 1705552056 VDBDUYZIMNEMSP-UYAOXDASSA-N 484.605 2.058 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CC1(N(C)C)CCC1)[C@@H]1CCS(=O)(=O)C1 1705560532 HUJBWVBDYBSRPN-LJQANCHMSA-N 457.600 2.065 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@](C)(O)[C@@H](C)CC 1705591468 QONOOQAXPPAOKL-CYFREDJKSA-N 471.627 2.455 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@]1(N(C)C)CCSC1 1705595960 MRCSQJPREZFTIF-VWLOTQADSA-N 475.622 2.092 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)CC1 1705634821 JYQFRFUMEYQIKD-QHAWAJNXSA-N 490.649 2.403 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCC(=O)NC)CC1 1705646923 TZKMSNQAFDPHKK-UHFFFAOYSA-N 450.587 2.345 30 10 JEEE C=C(Br)Cn1c(-c2noc3c2COCC3)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1705685226 RQZWEPXGVVFKEE-RYUDHWBXSA-N 474.381 2.172 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccn2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1705704384 SSSPTLSCMQOMOY-XLIONFOSSA-N 460.604 2.182 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCn1cc(C)cn1 1705859631 CSGNGJWJUAUDSD-NRFANRHFSA-N 465.583 2.450 30 10 JEEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@H]3CC[C@@H](OC)[C@H]3C2)cc1 1705909910 LMPGLNVLDFUSPH-AGKXRFJRSA-N 475.615 2.363 30 10 JEEE C=CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1705942624 YRDZCTZYUGKEDE-LJQANCHMSA-N 486.598 2.354 30 10 JEEE C=CCSCCn1c(Cc2ccsc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1705948202 LAAACVKFHIJJTJ-UHFFFAOYSA-N 474.656 2.121 30 10 JEEE CC(=O)N1CCCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2ccc(C#N)o2)CC1 1705979446 NNSQKUFOETWJNZ-FQEVSTJZSA-N 499.572 2.158 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CC1(N(C)C)CCC1 1708752114 FSNGQVWQVLRXBV-SFHVURJKSA-N 494.648 2.058 30 10 JEEE CCS(=O)(=O)NCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC(C#N)CC1 1710900849 AUIQLLCBJCBUDM-UHFFFAOYSA-N 495.650 2.072 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2Br)n1CCN1CCN(C(C)=O)CC1 1722288119 WFHWNEONCFQNOR-MRXNPFEDSA-N 459.392 2.330 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCSCC2)cc1 1722292622 AFDZUQQGXGCMKS-IEBWSBKVSA-N 459.641 2.240 30 10 JEEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(N2CCC(CO)CC2)cc1 1722344807 SIKQZKNCYPJPNF-VWLOTQADSA-N 453.587 2.257 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2CCN(C(C)=O)CC2)CC1 1722443353 HPLXCUABPCDRTI-UHFFFAOYSA-N 473.581 2.041 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 1722494952 TYDCNDFTIGJPIL-QUCCMNQESA-N 475.615 2.437 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCCN(C(=O)c2ccsc2)CC1 1722697049 DYECYBMGQGBJIH-UHFFFAOYSA-N 451.556 2.056 30 10 JEEE C=CCNC(=O)Cn1c(N2CCO[C@@H](c3cccc(C#N)c3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1722703978 NCCBYLSBUIUIPK-PXDATVDWSA-N 480.569 2.070 30 10 JEEE C=CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1722735715 QZZLDXIIZMNFGH-KRWDZBQOSA-N 493.655 2.401 30 10 JEEE CC(C)[C@@H]1OCCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(C#N)C1 1723940830 DGBZHHMJPGYNTN-TWFHAPMSSA-N 452.625 2.470 30 10 JEEE COC(=O)N1CCC(Cn2c(CNC(=O)c3cccs3)nnc2N(C)C[C@@H](C)C#N)CC1 1729786657 DRDVCYCRZLQSJY-HNNXBMFYSA-N 459.576 2.344 30 10 JEEE COCCN(CCC#N)c1nnc([C@H]2COc3ccccc3O2)n1CC1(N(C)C)CCOCC1 1730763107 CJMMTOKQCAHXEN-OAQYLSRUSA-N 470.574 2.268 30 10 JEEE CS(=O)(=O)[C@@H]1CCCCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)CC2CC2)C1 1730994647 GMBBBQBASYNBLC-HXUWFJFHSA-N 491.639 2.045 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1ccc(OC)cc1F)[C@H]1CCS(=O)(=O)C1 1740624130 CSBMJSDHZWQTDQ-IBGZPJMESA-N 469.542 2.087 30 10 JEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1CCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1740624173 DDLAHFAQUDUZNV-FQEVSTJZSA-N 462.019 2.245 30 10 JEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1CC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1740624590 KCPUIEBPFUUTEW-OAQYLSRUSA-N 472.611 2.125 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(OC)nc1 1740685642 JCEXVUBRQRICAR-LJQANCHMSA-N 486.573 2.124 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccccc2COC)CC1 1740703342 OSNOFRLPGQCCKJ-HHHXNRCGSA-N 495.624 2.479 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCO[C@H](C)C2)CC1 1740708153 DWTQIJSHMNZYMY-MSOLQXFVSA-N 484.626 2.051 30 10 JEEE C=C(Br)Cn1c(-c2cccnc2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1740742188 GEYHTYFYFGARMO-HNNXBMFYSA-N 469.409 2.357 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1740762695 VRKXNMDCFFDXIR-UTSKFRMZSA-N 478.537 2.317 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCCS1(=O)=O 1740935203 FEYWJCFHZPMLHF-SFTDATJTSA-N 492.667 2.383 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 1740951166 RIDGHYDHERCGMX-SFHVURJKSA-N 492.502 2.413 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1740953873 UHXLUHHTYWNJMB-LJQANCHMSA-N 494.600 2.389 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1740965471 PYIFVKZGYGYLQM-OALUTQOASA-N 486.642 2.038 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1740982006 RVELAFUVFHOFOB-GBWQBGJGSA-N 484.507 2.455 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(CCC(C)(C)C)CC1 1740991982 KDQPITRLAOHOOO-LJQANCHMSA-N 453.653 2.331 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1CC1([S@](C)=O)CCC1 1741913000 DHLVWPPXAGCGOR-KNTRGWTASA-N 490.655 2.230 30 10 JEEE CC[C@@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1743886616 BAUSGSLNPYKAIL-QGZVFWFLSA-N 487.630 2.030 30 10 JEEE CCOCc1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CC1(N(C)C)CCOCC1 1747247423 DOQJHEVYEONDLQ-OAQYLSRUSA-N 454.575 2.375 30 10 JEEE C#CCN(c1nnc([C@@H](CC)c2ccccc2)n1CCC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1748805524 TUZWAZBJCRZCTE-SFTDATJTSA-N 471.627 2.361 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCN(CC)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1748814880 KOIQRLLQTCXMRS-RTBURBONSA-N 495.646 2.403 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@H](C)c1nccs1)[C@@H]1CCS(=O)(=O)C1 1748819429 OMQFHHXTAAEMLE-FUHWJXTLSA-N 456.597 2.151 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1CCN1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1748821032 LMAKDYIWJUFBSX-AZUAARDMSA-N 461.657 2.289 30 10 JEEE C#CCN(CCOC)c1nnc(CNC(=O)c2cccs2)n1C[C@]1(O)CCc2ccccc21 1748968291 FLMUNEWBBZVYGV-XMMPIXPASA-N 465.579 2.190 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCN2CCC(C)CC2)CC1 1748972325 GCCUWHXJHFXGKL-UHFFFAOYSA-N 484.048 2.349 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCC[C@@H](O)C2)CC1 1749003862 XYXNDEHWNXCYDV-DYESRHJHSA-N 466.542 2.370 30 10 JEEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1749402142 KKYSMMAOEKOJCU-XUVXKRRUSA-N 451.637 2.084 30 10 JEEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1749408256 HCVKYAGCXHTTAL-PZJWPPBQSA-N 480.617 2.271 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCS(=O)(=O)C1 1749529474 DQZSHWQGLLJTJA-FQEVSTJZSA-N 468.583 2.013 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@H](C(=O)NC)C1 1749651468 VWVYKUIANHWZAG-CVEARBPZSA-N 460.966 2.336 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2cnccn2)n1C[C@@H]1CCOC[C@@H]1OC 1749806215 HYEALDLZDFADOX-UNMCSNQZSA-N 463.542 2.311 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCC1(O)CCOCC1 1751093921 AKKYBLVBVNVFPP-SFHVURJKSA-N 454.579 2.122 30 10 JEEE C[C@@H]1C[C@@H](C)CN(CCCn2c(-c3ccc(C#N)cc3)nnc2N2CCN(CC(=O)N(C)C)CC2)C1 1752011984 HWRFLLXXOJNZCU-FGZHOGPDSA-N 492.672 2.395 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CN(CC(C)C)CCO1 1760111422 MNHGULHWUIKBRF-OALUTQOASA-N 463.586 2.007 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1cccs1)C[C@H]1CCCO1 1760154174 BCXQRCLBLXTDKY-QUCCMNQESA-N 493.655 2.272 30 10 JEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CCNC(=O)c1ccco1)[C@H]1CCS(=O)(=O)C1 1760180951 NKKSFSPIMFEZKD-SFHVURJKSA-N 487.969 2.248 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1CCCOc1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1760183638 CJTXHGTZAOWQAV-LJQANCHMSA-N 481.578 2.445 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@]1(C)CCCO1)[C@H]1CCS(=O)(=O)C1 1760185806 DVQSDRXCHFEZIR-AOMKIAJQSA-N 464.538 2.343 30 10 JEEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](CC)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1760186357 MMGQGIFHZZEGPM-HMXCVIKNSA-N 490.651 2.001 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCOc1ccc(Cl)cn1)[C@H]1CCS(=O)(=O)C1 1760186827 GRAMVMWFQMJMKS-ROUUACIJSA-N 479.990 2.274 30 10 JEEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC[C@H](C)c1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1760189181 SBQKWPKAMYAVRL-DSKINZAPSA-N 485.610 2.058 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCc1ccc(NC(C)=O)cc1)[C@H]1CCS(=O)(=O)C1 1760189940 SDTWYYYTXWYDDC-FQEVSTJZSA-N 466.567 2.101 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCC[C@@H](C)C1 1760203908 UXCYRWMIHFKYMJ-NHCUHLMSSA-N 470.618 2.391 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2CCN(C)CC(F)(F)F)CC1 1760271685 GXVZOQKCAOUSPT-UHFFFAOYSA-N 492.546 2.337 30 10 JEEE C#CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H](C(=O)OC)C1 1760274796 TZIZSBSGOYDXDG-CYBMUJFWSA-N 452.378 2.412 30 10 JEEE C=C(Br)Cn1c(-c2cnccn2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1760305662 MSHHNIBXFNCLTP-GJZGRUSLSA-N 464.368 2.011 30 10 JEEE C=C(Cl)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1760368692 KESUOAHRYONVAP-CVEARBPZSA-N 467.935 2.062 30 10 JEEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1760526676 FHYBPEGLVDAXHA-UHFFFAOYSA-N 479.673 2.360 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)[C@H](C)[C@H](C)S(C)(=O)=O)cc1 1760529961 MXFOTOVRCZXSID-GJYPPUQNSA-N 461.588 2.100 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1760551957 XUABUPRHJMVNQD-HNNXBMFYSA-N 491.010 2.352 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCC(NC(=O)C(C)C)CC1 1760555126 XUYZRJYFMFMOER-UHFFFAOYSA-N 495.596 2.489 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1760556027 SSBBRGMFVXAVFE-UHFFFAOYSA-N 463.526 2.041 30 10 JEEE CCN1CCN([C@@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCCC[C@H](S(C)(=O)=O)C2)CC1 1765496878 CGWDOUQIGMGWLE-REWPJTCUSA-N 499.685 2.246 30 10 JEEE C#CCN(CC#CC)c1nnc(COc2ccc(F)cc2)n1CCN1CCN(C)C(C)(C)C1 1772516550 MUFZSGQIDQIDRF-UHFFFAOYSA-N 452.578 2.485 30 10 JEEE CCCCS(=O)(=O)N1CCN(c2ccc(NS(=O)(=O)c3ccccc3C#N)cn2)CC1 1858448970 VSRZNHRRNYBJMU-UHFFFAOYSA-N 463.585 2.006 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)[C@@H](C)Oc3cccnc3NC(=O)NCCC(=O)O)cc21 1858806429 ALCBBHZJUSOQRW-CQSZACIVSA-N 468.466 2.239 30 10 JEEE C=CCOc1cn(CCc2ccc(OC)c(OC)c2)c(CN2CCN(C(C)=O)CC2)cc1=O 1870384030 SHOGURRQIMGRHV-UHFFFAOYSA-N 455.555 2.337 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)COc2nonc2C(=O)Nc2ccc3[nH]ncc3c2)nc1C 1872692064 UXEORCWYZCZCPV-UHFFFAOYSA-N 483.466 2.323 30 10 JEEE COc1cc(/C=N/n2c(COCc3ccccc3)nnc2SCC(N)=O)cc(OC)c1OC 1874354028 NQXZQDWEGBIASN-BHGWPJFGSA-N 471.539 2.480 30 10 JEEE CCCNC(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1cccc(OC)c1OCCC 1874432497 JCWCKECVNDHAAD-WYMPLXKRSA-N 462.576 2.212 30 10 JEEE CC(=O)NCc1nnc(SCC(=O)NCc2ccccc2)n1/N=C/c1ccccc1[N+](=O)[O-] 1874435893 CORBNBFEBBTORR-WYMPLXKRSA-N 467.511 2.113 30 10 JEEE C=CCn1c(C(=O)N2CCN(c3ccccc3)CC2)cc2c(NCCOCCO)ncnc21 1875230607 HGLCTBVTLLKLET-UHFFFAOYSA-N 450.543 2.001 30 10 JEEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)c3ccc(Br)cn3)CC2)CC1 1889332827 FWPRBOCHVKYPOO-UHFFFAOYSA-N 463.420 2.495 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CC[S@@](=O)(=NC(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)C1 2255545370 PATTWVCQVLKJAB-YSVRNHBLSA-N 454.354 2.484 30 10 JEEE CCn1cc(C(=O)N[C@@H]2CC[C@@H]2NC(=O)OCc2ccccc2)nc1B1OC(C)(C)C(C)(C)O1 2255654037 RBKRCPNUHZAPDW-MSOLQXFVSA-N 468.363 2.389 30 10 JEEE Cc1csc(C(=O)N[C@@H]2COC[C@H]2NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2255836870 GECPBESWYJGGFI-ZIAGYGMSSA-N 452.382 2.378 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)CCCO1 2267003650 RSUWHUSISORDFO-INIZCTEOSA-N 450.341 2.335 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](OCCNC(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267013247 HKLPDSQRSYIVBV-INIZCTEOSA-N 450.341 2.335 30 10 JEEE CC(C)(C)OC(=O)NC1(C(N)=O)CCN(C(=O)[C@H]2C[C@@H](B3OC(C)(C)C(C)(C)O3)C2)CC1 2267118946 PPCMJZXUMJILFY-GASCZTMLSA-N 451.373 2.230 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](NC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)CCO1 2267149710 ARZMWITVLYBECZ-KGLIPLIRSA-N 467.397 2.244 30 10 JEEE CO[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)N(C(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C1 2267196574 FYYXVGLIHUZDBC-UONOGXRCSA-N 467.397 2.197 30 10 JEEE CN(CC[S@@](C)(=O)=NC(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2267259705 DFUCYABOPAVLFY-JGCGQSQUSA-N 467.397 2.486 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](OCCNC(=O)c2occc2B2OC(C)(C)C(C)(C)O2)C1 2267499002 XYXYGHYDWSTCNG-HNNXBMFYSA-N 450.341 2.335 30 10 JEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)c1ccoc1B1OC(C)(C)C(C)(C)O1 2267551278 KLMNDVQCCZFOPE-HZPDHXFCSA-N 450.341 2.333 30 10 JEEE CC(C)(C)OC(=O)NC1(C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)CCOCC1 2268630504 LIWSGCVJBHOIBS-UHFFFAOYSA-N 467.397 2.132 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1NC(=O)[C@H](CNC(=O)OC(C)(C)C)OC 2268639315 NOJGSAHBQCZGGV-KRWDZBQOSA-N 450.341 2.473 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)C2C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2268653186 KUIRQYBSLFKXAJ-PBWFPOADSA-N 464.397 2.091 30 10 JEEE Cc1nc(NC(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2F)ncc1B1OC(C)(C)C(C)(C)O1 2268677064 PVVAWXRYFYGQEZ-ZFWWWQNUSA-N 450.320 2.228 30 10 JEEE C[C@@H](CCNC(=O)OC(C)(C)C)CCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2268710038 NFHGGHICAXETQY-OAHLLOKOSA-N 450.389 2.390 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CCCO1 2282182111 ORUKOZRDYOZXPS-SFHVURJKSA-N 461.368 2.137 30 10 JEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC[C@H](NC(=O)C(F)(F)F)[C@@H](C)C1 2282308048 MAGSNRVFPYDQGA-AAEUAGOBSA-N 496.382 2.433 30 10 JEEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCN(Cc4ccccc4)[C@H](C#N)C3)cc2)OC1(C)C 2282421687 RKKYBDAMZABBFN-OAQYLSRUSA-N 467.400 2.384 30 10 JEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CCNC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2282549106 FNIFECVGVLTDDG-JKSUJKDBSA-N 462.400 2.342 30 10 JEEE C[C@H]1CN(Cc2ccccc2)C[C@H]1CCNC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2282620191 BRQSTGLESBETLT-PKOBYXMFSA-N 453.396 2.002 30 10 JEEE Cn1nc(C(=O)N2CC[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2282629235 SMJRSMMEOUTGSJ-CVEARBPZSA-N 460.384 2.333 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)OCC12CC2 2284048548 MCGQUORAEPCCKC-HNNXBMFYSA-N 459.352 2.488 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)NCCc2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2284065073 CHPHFSPMTAXSCQ-XMMPIXPASA-N 460.380 2.016 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@@H](C(C)(C)NC(=O)OC(C)(C)C)C1 2362354948 XEZPRIVSHTZTKC-OAHLLOKOSA-N 462.400 2.485 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@](C)(CNC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C1 2362571956 VBNCUQCMUZANJJ-JOCHJYFZSA-N 481.424 2.446 30 10 JEEE CC(C)(C)OC(=O)N1CC(=O)NC[C@@H]1C(=O)NCc1sc(Cl)cc1B1OC(C)(C)C(C)(C)O1 2369889651 PAEVMHVELMSZGI-CYBMUJFWSA-N 499.826 2.052 30 10 JEEE Cc1nn(-c2ccccc2)c(N2CCOCC2)c1/C=N/Nc1nnc(S[C@H](C)C(=O)NC2CC2)[nH]1 253578620 YOSYQAIJXDKXKK-HUSFYUSLSA-N 495.613 2.341 30 10 JEEE CCOC(=O)C1CCN(C(=O)C(/C=C2/C(=O)ONN2c2ccccc2)=NC(=O)c2ccccc2)CC1 585673919 ZFCZEWFNCSKDTP-AYZNEBIRSA-N 490.516 2.436 30 10 JEEE C#CCN(C(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(OC)cc2)c1)[C@H]1CCS(=O)(=O)C1 729332434 XRWIAXQEBFBYSW-IBGZPJMESA-N 476.576 2.067 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1CNC(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 1128538348 MGRRBSGNKUCGDJ-LAUBAEHRSA-N 452.573 2.202 30 10 JEEE C#CCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1286345154 GJTXVBXTQAHFOL-GOSISDBHSA-N 473.599 2.238 30 10 JEEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2nc(C)cc(OCC)n2)CC1 1286357982 FLIPMLMJWZWTKU-FPOVZHCZSA-N 469.590 2.239 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC(C)(C)N[C@H](C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1286388856 CGQVERPVGBKMOS-KNQAVFIVSA-N 495.653 2.435 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccs1 1286458154 LHVRBLFMKYHGLH-HXUWFJFHSA-N 489.598 2.500 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CCC(=O)NC)CC1 1286484124 IMVKOUZGYRBOPW-UHFFFAOYSA-N 451.358 2.055 30 10 JEEE C#CCSCCn1c(N2CCC[C@@H](CN3CCOCC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1286513012 PQZHILICMIEHJM-URXFXBBRSA-N 477.675 2.234 30 10 JEEE C=C(Cn1c([C@H](C)OCCOC)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1)c1ccccc1 1286615136 GWXXWEQUMUTSMJ-GHTZIAJQSA-N 482.585 2.482 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CCC[C@@H]1c1nncn1C 1286791839 DYROCXTWBODEIW-GOSISDBHSA-N 450.547 2.192 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCC(CN2C[C@H](C)O[C@H](C)C2)CC1 1286819913 ZJRATFLXUZNUTR-HDICACEKSA-N 451.637 2.082 30 10 JEEE CC(=O)NC[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(C(N)=O)CCCC2)C1 1286925233 CEWVVNGLWWDIBV-HXUWFJFHSA-N 479.585 2.127 30 10 JEEE CC(C)C(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(Cn2ccnn2)CC1 1287137591 BHLADDMPPFBLST-UHFFFAOYSA-N 477.573 2.009 30 10 JEEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CC[S@@](=O)C(C)(C)C 1288724944 GJSGQZJSMXUNAA-PEGYKEAPSA-N 451.618 2.233 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](C)c2ccccc2NS(C)(=O)=O)s1 1290944120 XVIJPGAGVQOVJH-CYBMUJFWSA-N 457.599 2.004 30 10 JEEE CO[C@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1299551348 BMUNEHFDZPGAFY-NJDAHSKKSA-N 479.629 2.478 30 10 JEEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H](CC(C)C)NC(=O)OCC 1300455939 QSPBYBYGEGAXIV-QGZVFWFLSA-N 465.558 2.422 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@H]1CCCS1)[C@@H]1CCS(=O)(=O)C1 1300498929 OCICLBKHNPERTF-RTBURBONSA-N 460.625 2.400 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@]1(N(C)C)CCSC1 1300511619 MQZWVLZXLOOYGP-DEOSSOPVSA-N 469.611 2.481 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCNC(=O)c2ccco2)CC1 1300691451 ZHOGVSGQAHTTIE-UHFFFAOYSA-N 468.945 2.385 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2Cc2cccc(OCCN(C)C)c2)CC1 1300697786 JTTBWMSLJWBHFY-HSZRJFAPSA-N 452.603 2.264 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(Br)cc3)n2C[C@H](COC)OC)CC1 1300708277 QEYHMUSICUMXPE-LJQANCHMSA-N 478.391 2.036 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2Cc2nnc(C)s2)CC1 1300730623 CXESCARRPXRKDW-UHFFFAOYSA-N 469.546 2.170 30 10 JEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CN2CCCCCC2)CC1 1300734255 UOQJTTDYFDXBQK-IBGZPJMESA-N 482.720 2.347 30 10 JEEE C#CCSCCn1c(-c2cccc3cccnc23)nnc1N1CCC(OCC(N)=O)CC1 1300750776 BPFGWROLZBWRFZ-UHFFFAOYSA-N 450.568 2.330 30 10 JEEE C#CCSCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCCN(S(C)(=O)=O)CC1 1300755016 JJAIVKVSKRARDI-UHFFFAOYSA-N 458.613 2.265 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CCN(Cc2nc(COC)no2)CC1 1300890355 UVXUMROLOKCMLL-PGRDOPGGSA-N 459.595 2.309 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1ccon1 1301576045 QALPPWDRFPQZHZ-UHFFFAOYSA-N 455.338 2.261 30 10 JEEE C=CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCCN(S(C)(=O)=O)CC1 1301602271 NVDDTUKUNVFXOR-UHFFFAOYSA-N 481.644 2.353 30 10 JEEE C=CCSCCn1c(-c2ccccn2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1301604661 YKTUYJULPGJWFN-RXVVDRJESA-N 455.632 2.248 30 10 JEEE CC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1)NC(=O)OC(C)(C)C 1305813590 GWKBPLFVPNDNLR-RTBURBONSA-N 480.573 2.334 30 10 JEEE N#C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCNc2ncc(Cl)cc2Cl)CCO1 1316535035 BSLNDFXLLXJWNM-CQSZACIVSA-N 465.345 2.057 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1CC1([S@@](C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1358956561 HRWJWNUWBPRXRI-LRIFPRNHSA-N 494.614 2.095 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@@](C)(O)C(C)C)[C@H]1CCS(=O)(=O)C1 1358963007 AGSLUQVACJLQGC-KSFYIVLOSA-N 466.554 2.181 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1cccc(C(F)(F)F)n1)[C@@H]1CCS(=O)(=O)C1 1358965558 XHCZOHYCWKEALJ-GOSISDBHSA-N 490.511 2.353 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@]1(N(C)C)CCSC1 1359002622 GXTBADLYUSGKKK-QFIPXVFZSA-N 476.672 2.092 30 10 JEEE C#CCN(CCOC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CC1(O)CCS(=O)(=O)CC1 1359019151 LNDDKNMGLSZDTO-FQEVSTJZSA-N 490.626 2.061 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CCCN2C[C@H](C)O[C@@H](C)C2)CC1 1359045382 FKQAMLUNNMMDSZ-PMACEKPBSA-N 458.651 2.332 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCCN1CCC[C@@H](C)C1 1359070420 MGUZZNXJENVWCW-ZFGGDYGUSA-N 492.690 2.115 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1359090071 UKRVPYACLFUGNB-AQNXPRMDSA-N 458.607 2.140 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Nc2cnn([C@H]3CC3(F)F)c2)nnc1[C@H](C)NS(C)(=O)=O 1359106160 YGVPYRPNSYMFFY-XRGAULLZSA-N 471.534 2.390 30 10 JEEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCOC2(CCCCCC2)C1 1359127453 QNFNXVDFANJRPH-SFHVURJKSA-N 455.625 2.411 30 10 JEEE C=CCN(c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCC1(O)CCOCC1)C1CC1 1359247895 SLNXONYCMKUTNJ-UHFFFAOYSA-N 475.615 2.282 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCC1CCOCC1 1359300454 BZOMRDWOWLPMOV-LJQANCHMSA-N 492.621 2.142 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@H](C)C1 1359327808 LGROEDWOOQMTQG-HNNXBMFYSA-N 450.561 2.418 30 10 JEEE C#CCN1CCC[C@H](NC(=O)c2ccc(Br)c(S(=O)(=O)NC(C)(C)C)c2)C1 1455702322 GRYPVDUOVPCNDH-HNNXBMFYSA-N 456.406 2.353 30 10 JEEE C#CCN(C(=O)C1=NN(c2ccccc2)C(=O)[C@@H](C)N1)C1CCN(C(=O)OC(C)(C)C)CC1 1471882396 MZFIVYPNOLRQGH-QGZVFWFLSA-N 453.543 2.186 30 10 JEEE CCN1CCN(C[C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N(CC)[C@@H]2CCS(=O)(=O)C2)CC1 1502340400 FWYJIOIHZCJGEF-NZQKXSOJSA-N 499.685 2.104 30 10 JEEE COc1cc(Cn2c(Cc3cccnc3)nnc2N2CCO[C@@H](C#N)C2)cc(OC)c1OC 1504094224 BBGMZIDHYZLDPZ-SFHVURJKSA-N 450.499 2.067 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCCN(C(C)C)C1)[C@H]1CCS(=O)(=O)C1 1507630818 IJSHTTRTPVDQER-RTWAWAEBSA-N 470.643 2.396 30 10 JEEE C#CCN(CC)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1507687579 QUAWOEMSIRBRLZ-QGZVFWFLSA-N 454.556 2.341 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H](C)N2CCC[C@@H](C)C2)CC1 1507736738 SMRMIMHYEITVAA-YPCDYVTLSA-N 486.661 2.016 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(CSC)cc2)CC1 1507738071 JEHLIXKTIKAUAJ-FQEVSTJZSA-N 466.611 2.106 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1507800815 YFEPKNFKEHYQDF-LNLFQRSKSA-N 456.595 2.380 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)C[C@H]1CCCO1 1508130891 JEVHUCNKEIBTPX-LJQANCHMSA-N 461.588 2.363 30 10 JEEE C=CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1508150370 JXJXRFWPCJTYMQ-NRFANRHFSA-N 461.613 2.127 30 10 JEEE CC(C)CCN(CCC#N)c1nnc([C@H]2CCCCO2)n1CC1(O)CCS(=O)(=O)CC1 1509301871 DMQYVYOFSFCATM-GOSISDBHSA-N 453.609 2.226 30 10 JEEE CCN1CCN([C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(CNC(C)=O)CC2)CC1 1515891674 GOIAEHFLBBYJNP-HXUWFJFHSA-N 478.645 2.195 30 10 JEEE CN(C)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1)c1cccc(F)c1 1517020490 FOXHHLIVOIAXNN-YRISNDGFSA-N 464.542 2.064 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](CC)c1ccccc1 1539325675 LNYNWLINVUEIAO-IRLDBZIGSA-N 469.611 2.268 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1CCN(CCN(C)C)CC1 1539361811 FXFHCEQWHYXUHY-UHFFFAOYSA-N 490.656 2.408 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@]2(C)CN(C)C2=O)CC1 1539474123 KFOYDOFMCDOTRO-HSZRJFAPSA-N 472.952 2.182 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC(C)(C)OC)CC1 1539474351 PMJKGUGCSABAJO-UHFFFAOYSA-N 455.559 2.353 30 10 JEEE C=C(Br)Cn1c(N(C)[C@@H](C)CS(=O)(=O)CC)nnc1[C@@]1(OC(C)C)CCOC1 1539610232 WPIZVVSLNROJCC-MAUKXSAKSA-N 479.441 2.487 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cnccn2)n1Cc1ccc(C(N)=O)nc1 1540122637 XYTGMRQNWWNEPN-UHFFFAOYSA-N 451.494 2.342 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nc(C(C)C)cs1 1540169522 FYYRLBYISVPEQY-KRWDZBQOSA-N 466.633 2.418 30 10 JEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCc2cccc(F)c2[C@H]1C 1540907409 VYJRKMBDEGTORH-MRXNPFEDSA-N 461.563 2.264 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2CC)nnc1N1CCN(C(C)=O)C[C@H]1C 1540909127 YWTIAVGJQKJROO-GOSISDBHSA-N 475.615 2.077 30 10 JEEE COCCNC(=O)[C@@H]1CN(C(=O)NC2CCCC2)CCN1c1ccc(C#N)c(C(F)(F)F)c1 1548367997 FBCKATJTRWQZHA-IBGZPJMESA-N 467.492 2.482 30 10 JEEE COCCN(C)CCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CC[C@](F)(C#N)C1 1555526641 AKFGRWMUSQXZTO-DEOSSOPVSA-N 482.564 2.256 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCS(=O)(=O)C(C)(C)C 1587575449 VREOVKPSHLTROW-HNNXBMFYSA-N 480.660 2.218 30 10 JEEE C=CCNC(=O)Nc1ccc(NC(=O)[C@@](C)(NC(C)=O)c2ccc(S(C)(=O)=O)cc2)cc1 1587964973 TUNAYZIOXORRCK-QFIPXVFZSA-N 458.540 2.388 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1CCCOc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1588050909 XQNUYYHVIRXGLE-HXUWFJFHSA-N 451.552 2.436 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCCN(C)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1588055604 YGPDBKBYYYLDSQ-RBUKOAKNSA-N 495.646 2.403 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCCN(C)C(C)C)CC1 1588837367 REDBWWPHRZLPJR-OAQYLSRUSA-N 489.665 2.072 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)N(C)[C@H](C)c1ccccc1 1589068718 DAMLNFLXKFRKBA-UYAOXDASSA-N 489.667 2.202 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CCSC1 1595161552 DNNDNABRSSQNAP-HNAYVOBHSA-N 454.643 2.302 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCC(CC#N)CC2)n1Cc1ccccc1CN1CCOCC1 1608380183 CFKPASBNUHRMSS-UHFFFAOYSA-N 465.602 2.427 30 10 JEEE Cc1nn(C)c(N2CCN(c3nnc(CC(C)C)n3CCCN3C[C@@H](C)O[C@H](C)C3)CC2)c1C#N 1612471962 BQTFLSHGRNZOJV-WOJBJXKFSA-N 483.665 2.216 30 10 JEEE CCCOc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H](C)CN2CCOCC2)cc1OC 1615006146 FVFACCZJVJCLEY-PZJWPPBQSA-N 484.601 2.440 30 10 JEEE CCS(=O)(=O)N(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 1617345721 BIRAXCDYJILBNQ-LAUBAEHRSA-N 472.615 2.492 30 10 JEEE C#CCn1ccc(CN(CCOC)CC(=O)Nc2ccc(I)cc2)n1 1617668369 VEUXBRBUKDMMKG-UHFFFAOYSA-N 452.296 2.208 30 10 JEEE CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCc2cccc(C)n2)CCO1 1618709098 IEBBVCDLYPXWIA-JOCHJYFZSA-N 475.553 2.016 30 10 JEEE C#CCNC(=O)C1CCN(C(=O)c2ccc(S(=O)(=O)Nc3ccc(OC)cc3)cc2)CC1 1626032636 AQBCHCSWQKRCTQ-UHFFFAOYSA-N 455.536 2.098 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)N3C[C@@H]4[C@@](C(F)(F)F)(CCCS4(=O)=O)C3)cc2C1=O 1627515576 BDZZJDLBTLGPRN-DNVCBOLYSA-N 456.442 2.050 30 10 JEEE C=C[C@@H]1OCCC[C@H]1NS(=O)(=O)c1cc(C)c(I)c(C(=O)OC)c1 1662076790 KUKKLKDJTHOTTJ-KGLIPLIRSA-N 465.309 2.398 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCN1CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1689982491 OQPRZIZWFLBCQB-DENIHFKCSA-N 466.611 2.175 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCN1CCOC[C@@H]1C 1690017684 JIFYANAIIPZPMW-LEWJYISDSA-N 470.618 2.186 30 10 JEEE C=C(Br)Cn1c(N2CC(=O)N[C@@H]3CCCC[C@H]32)nnc1[C@@]1(OCC)CCOC1 1690233296 CBOHEGZBIGCRIX-SPYBWZPUSA-N 454.369 2.086 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)C(C)C 1690565808 TXMBANBXBUGHQT-REWPJTCUSA-N 477.631 2.211 30 10 JEEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1690627604 KSMMZGDCKYLSKY-KRWDZBQOSA-N 451.980 2.451 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1690673658 ZKGRJTAOLFQESF-INIZCTEOSA-N 466.508 2.253 30 10 JEEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1CCNC(=O)c1cccs1 1696904430 FKJPJPJLYXHITR-HNNXBMFYSA-N 451.556 2.127 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCNC(=O)c1ccco1 1705478965 HJTDTCYXQRVWAN-OAHLLOKOSA-N 469.571 2.028 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCOC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1705562125 XYLGXEFOOXYHEK-GOSISDBHSA-N 461.544 2.295 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1(N2CCOCC2)CC(OCC)C1 1705576060 DVUMRMKGJWLGFC-UHFFFAOYSA-N 478.553 2.196 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccccc2F)n1C[C@@]1(N2CCOCC2)CCSC1 1705624541 FGRIVIFHBMWHBK-QHCPKHFHSA-N 459.591 2.378 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccnc(C(F)(F)F)c1 1705674271 DOTOVQUZMAUPLQ-OXQOHEQNSA-N 498.531 2.065 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1705709450 PNGOOPGRIGGSHM-DENIHFKCSA-N 471.606 2.176 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)Nc1c(C)cccc1C 1705737447 RAVALYBEIHUPTP-LJQANCHMSA-N 475.615 2.465 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2cnn(CC)c2)C1 1705919450 DXJUUDNDPCMLSE-LJQANCHMSA-N 456.572 2.395 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(OC)nc1 1722295774 MDSPBQFGHWEFSO-AEFFLSMTSA-N 456.547 2.496 30 10 JEEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 1722307518 YIXJZNAMDVCXBS-UHFFFAOYSA-N 463.586 2.078 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC2CCOCC2)c1 1722308508 BQISQMHBGIJDNI-FQEVSTJZSA-N 485.610 2.053 30 10 JEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](O)(Cc2cccc(Cl)c2)C1 1722332797 OVGGAKYNRRPRCQ-XMSQKQJNSA-N 463.003 2.431 30 10 JEEE C#CCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1722354822 AVDMTRZYWKZHPW-LJQANCHMSA-N 457.542 2.299 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H](C(CC)CC)N(C)C)[C@@H]1CCS(=O)(=O)C1 1722359760 ATRXKQQDUUMYOC-NHCUHLMSSA-N 458.632 2.333 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1CCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1722369791 HEHVZQNVXQBOFK-OAQYLSRUSA-N 482.610 2.306 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 1722413555 ODOGVCKPQCLFMQ-ROUUACIJSA-N 477.631 2.429 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2Cc2ccc(C)n(C)c2=O)CC1 1722450244 AUEGZVQHSOCSBT-UHFFFAOYSA-N 488.592 2.187 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCNc2nccc(C(F)(F)F)n2)CC1 1722453433 SLOXXDYTJFGKBI-MRXNPFEDSA-N 492.506 2.016 30 10 JEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCc2cc(OC)c(OC)cc2CC1 1722458863 VKUNQNNCTFATMN-GOSISDBHSA-N 455.584 2.218 30 10 JEEE C=CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1722597577 OFHVXCBVIULOBK-LJQANCHMSA-N 472.615 2.363 30 10 JEEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)CCc1cccs1 1722697918 AFHOSKGCYHGFKC-UHFFFAOYSA-N 466.615 2.495 30 10 JEEE C=CCOc1ccc(Cn2c(N3CC(=O)N(C)[C@H](C)C3)nnc2[C@@]2(OCC)CCOC2)cc1 1722704016 AHFWMVMBUXWCKM-HOYKHHGWSA-N 455.559 2.210 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC(c2ccccc2CO)CC1 1722726959 DEOFJMBDQKWJKP-HXUWFJFHSA-N 460.600 2.259 30 10 JEEE Cc1ccc(C)c(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@H]2CCN(S(C)(=O)=O)C2)c1 1724274902 GJXWRUXRUFONPM-PGRDOPGGSA-N 476.578 2.197 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)cc1OCCCOC 1740553685 UBPQKPGXNIDCRP-UYAOXDASSA-N 460.600 2.410 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2C[C@H]2CCCS(=O)(=O)C2)c1 1740563669 WWLMSCWKWKRHOM-GOSISDBHSA-N 466.567 2.154 30 10 JEEE C#CCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CC[C@H](C(=O)OC)C1 1740594537 POEXODKNAHEVGH-NRFANRHFSA-N 450.587 2.056 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1Cc1ccccc1C)[C@H]1CCS(=O)(=O)C1 1740615831 LZZRBRHALAKOCO-FQEVSTJZSA-N 457.600 2.180 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1C[C@H](CC(C)C)NC(=O)OCC)[C@H]1CCS(=O)(=O)C1 1740615881 MYMCTSPHKMCJJT-ROUUACIJSA-N 467.636 2.363 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H](C)Oc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1740624235 FAZAIFJTWXRLPZ-UYAOXDASSA-N 483.569 2.497 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1CC1(CCOCC)CCCC1)[C@H]1CCS(=O)(=O)C1 1740628300 XCORLPINUMWJNJ-PMACEKPBSA-N 464.632 2.396 30 10 JEEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCn1cc(Br)cn1 1740631211 IREUHQUKYVKENP-HXUWFJFHSA-N 461.364 2.051 30 10 JEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1c1ccc2c(c1)OCCO2 1740708815 CFYWEFQKWUFFSM-WMZOPIPTSA-N 491.639 2.367 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(F)cc1C 1740732261 XDQKMMPKFIRYPX-NZQKXSOJSA-N 475.590 2.293 30 10 JEEE C=C(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1740778863 VSDSXAGRDBZBAR-UHFFFAOYSA-N 484.601 2.291 30 10 JEEE C=CCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1740884197 SOFLFQQZRDTWHC-SFTDATJTSA-N 476.599 2.326 30 10 JEEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 1740899419 MJBXIBKSGWQZBI-SFTDATJTSA-N 459.616 2.094 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c(-c2noc3c2COCC3)nnc1N1CCO[C@@H](C#N)C1)C(C)C 1740927341 TZLLFZNKSYODGC-ICSRJNTNSA-N 467.574 2.433 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCc2c(ccnc2N(C)C)C1 1740964744 TXAIUNOHUJYNRO-UHFFFAOYSA-N 465.533 2.322 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1740965122 DGNKBAWDVAZGHC-QWFCFKBJSA-N 460.623 2.192 30 10 JEEE CC(=O)N1CC[C@@H](CN(C)c2nnc(COc3ccc(C#N)cc3)n2CCN2CCOC(C)(C)C2)C1 1741030310 CYYLGJPBRROHDG-QFIPXVFZSA-N 495.628 2.144 30 10 JEEE CCO[C@@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CC2CN(C(=O)OC(C)(C)C)C2)CCOC1 1746695377 DDILNEPJOLTCHG-YADHBBJMSA-N 464.542 2.239 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H]2CCCCS2(=O)=O)CC1 1748992638 CHIGMTSYWFVEFG-HXUWFJFHSA-N 462.019 2.245 30 10 JEEE N#Cc1ccc(-c2nnc(N3CCC[C@H](S(=O)(=O)N4CCOCC4)C3)n2CC(F)(F)F)cc1 1750382144 BLLOQIAQBCSJMS-KRWDZBQOSA-N 484.504 2.010 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Cl)n1CCN1CCOCC1(C)C)[C@H]1CCS(=O)(=O)C1 1760184243 HTNDTCMQNBGQMC-SFHVURJKSA-N 492.045 2.336 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCCNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1760188720 LZIBCXOXHUUOCO-GOSISDBHSA-N 488.614 2.190 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1CC(C)(C)COCC)[C@H]1CCS(=O)(=O)C1 1760189043 GFEVCZHVKPLIKA-SFHVURJKSA-N 465.645 2.323 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@H]2CCCO[C@H]2C(C)C)CC1 1760268852 QLKJBKFZRFYDHK-CTNGQTDRSA-N 451.575 2.152 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 1760313792 QHOYEMMYIJWNEE-UGKGYDQZSA-N 484.576 2.385 30 10 JEEE C=C(Cl)Cn1c(N2CCN(CCOC)C(=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1760380449 BZBPFGDYDQRQIF-IYBDPMFKSA-N 468.986 2.096 30 10 JEEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1760514014 NSEXENZHSLPYHI-SJORKVTESA-N 468.624 2.302 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CCO[C@H](Cn2cccn2)C1 1760514789 FLXRQDGRMHRMFG-SFHVURJKSA-N 486.374 2.112 30 10 JEEE C=CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)CC(=O)NC(C)(C)C 1760561823 NDSOXWYRSATPFL-UHFFFAOYSA-N 455.592 2.191 30 10 JEEE CCCN(CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1)C(=O)OC(C)(C)C 1764362869 DJXNTWIDKDSERA-IERDGZPVSA-N 484.598 2.269 30 10 JEEE COC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCO[C@@H](CNC(C)=O)C2)CCCCC1 1768237518 HWKKRTVFZGSPIL-QFIPXVFZSA-N 482.585 2.419 30 10 JEEE CN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CC(F)(F)CNC(=O)OC(C)(C)C 1768981160 CYZUJGIWVWFMDI-UHFFFAOYSA-N 498.556 2.458 30 10 JEEE C=CCOC(=O)NS(=O)(=O)c1ccc(CCNC(=O)Cc2ccc(OC)cc2OC)cc1 1859013555 BLNPUOMKQIWKEE-UHFFFAOYSA-N 462.524 2.206 30 10 JEEE COc1ccc([C@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2CCCNC=O)cc1 1862569248 IPLOTOCCFVEOTH-NRFANRHFSA-N 454.479 2.427 30 10 JEEE COc1ccc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2CCNC(C)=O)cc1OC 1862759675 WWSGZBSGLXTBQY-FQEVSTJZSA-N 469.450 2.326 30 10 JEEE COc1ccc(NC(=O)[C@H](CO)NC(=O)C2CCN([C@H](C#N)c3cccs3)CC2)cc1[N+](=O)[O-] 1866867545 QBUXXXDHJDILGF-FUHWJXTLSA-N 487.538 2.057 30 10 JEEE CN1CCN(CC#CCOC2CCN(C(=O)C3CCN(C(=O)Nc4cccs4)CC3)CC2)CC1 1890511804 GXTKDZDLQRNKAT-UHFFFAOYSA-N 487.670 2.250 30 10 JEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C(=O)N2C[C@@H]3[C@H](C2)[C@@H]3B2OC(C)(C)C(C)(C)O2)[C@H]1OC 2205488397 LHPFRGWAYBJNJN-SUMCQTLJSA-N 466.384 2.186 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)[C@@H](O)C1 2255704896 NSMWTLNDANJWJT-CABCVRRESA-N 452.382 2.147 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)[C@H](CO)C1 2267126327 LAYOKCJWMMQAKY-HOCLYGCPSA-N 466.409 2.395 30 10 JEEE Cc1cc(C(=O)NC[C@@]2(NC(=O)OC(C)(C)C)CCOC2)oc1B1OC(C)(C)C(C)(C)O1 2267518046 CMAOHORYVHZDHF-QFIPXVFZSA-N 450.341 2.301 30 10 JEEE CN1CCN(C(=O)OC(C)(C)C)[C@@H](CNC(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2267592238 KYOFDJZLDLREDC-HNNXBMFYSA-N 465.425 2.328 30 10 JEEE C[C@@H](NC(=O)[C@@H](CN(C)C)NC(=O)OC(C)(C)C)c1nscc1B1OC(C)(C)C(C)(C)O1 2268654526 ANEFMYJNOCDRHA-UKRRQHHQSA-N 468.429 2.074 30 10 JEEE C[C@@H](NC(=O)C1(N(C)C(=O)OC(C)(C)C)COC1)c1nscc1B1OC(C)(C)C(C)(C)O1 2268716261 CXPMUQNWJNRYSV-CYBMUJFWSA-N 467.397 2.255 30 10 JEEE CO[C@H]1[C@H](CNc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)N(C(=O)OC(C)(C)C)C[C@H]1OC 2280770432 UKSQGIDAUPMQER-SCTDSRPQSA-N 463.384 2.442 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(F)c(C(=O)N(C)C[C@@H](O)CNC(=O)OC(C)(C)C)c1 2282025895 VFPNSSCZGABUPY-HNNXBMFYSA-N 466.359 2.391 30 10 JEEE CC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2282032327 DXKDCLMNXOBDEJ-CVEARBPZSA-N 462.400 2.485 30 10 JEEE CC(C)(C)OC(=O)N1CC(N(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C2COC2)C1 2282172436 WZODPWPEBJKCIX-UHFFFAOYSA-N 458.364 2.446 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@H]2CCN(C(=O)c3ccoc3B3OC(C)(C)C(C)(C)O3)C[C@@H]21 2282203660 PLJHPCZUORXGDC-DLBZAZTESA-N 462.352 2.429 30 10 JEEE Cn1ncc(C(=O)N2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@@]3(C)C2)c1B1OC(C)(C)C(C)(C)O1 2282568358 BAVWVJNGHCFJDI-NPMXOYFQSA-N 460.384 2.048 30 10 JEEE Cn1cc(C(=O)N2CC[C@]3(CCN(Cc4ccccc4)C3)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2282576503 RLFDNLDTGHMRAD-VWLOTQADSA-N 450.392 2.458 30 10 JEEE Cn1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC(F)(F)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2282578640 UROVRKHAKYCFJQ-UHFFFAOYSA-N 470.326 2.048 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H]1CCO[C@H](CNC(=O)OC(C)(C)C)C1 2282682357 NWYFMLAEQUHWGU-IRXDYDNUSA-N 463.384 2.126 30 10 JEEE C[C@H]1CCN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C[C@H]1CNC(=O)OC(C)(C)C 2282706104 HVHATIBKPXZBHN-JKSUJKDBSA-N 460.384 2.399 30 10 JEEE CC(C)(C)OC(=O)N1CC2(CC2)C[C@@H]1CNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2283059557 DSJAPPHEKJXEGW-OAHLLOKOSA-N 458.368 2.295 30 10 JEEE Cn1ncc(C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)c1CNC(=O)OC(C)(C)C 2283980695 CUNVWHNBYYAEGP-UHFFFAOYSA-N 477.396 2.131 30 10 JEEE CN(C(=O)OC(C)(C)C)C1(C(=O)N2Cc3ccc(B4OC(C)(C)C(C)(C)O4)cc3C2)COC1 2284059915 WMMBVGITFLGEMQ-UHFFFAOYSA-N 458.364 2.464 30 10 JEEE CC1(C)OB(c2ccccc2CS(=O)(=O)N[C@H](COCc2ccccc2)C(=O)O)OC1(C)C 2284413188 IAVUSZUAASMSRA-HXUWFJFHSA-N 475.372 2.075 30 10 JEEE Cn1c(C(=O)O)c(C=Nn2c(S)nnc(Cc3ccccc3[N+](=O)[O-])c2=O)c2ccccc21 2321658189 XIVUJTWPLPXXJP-UHFFFAOYSA-N 464.463 2.498 30 10 JEEE COC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1N=Cc1ccc(OC)cc1OC 2329035206 FLRIEIPHCVHLLJ-OAHLLOKOSA-N 461.544 2.167 30 10 JEEE CCn1cc(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)OCc2ccccc2)nc1B1OC(C)(C)C(C)(C)O1 2334263819 LZKGGGKZZJPTDZ-YSIASYRMSA-N 480.374 2.342 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(C(=O)NCc3cnc(B4OC(C)(C)C(C)(C)O4)s3)CO[C@@H]1C2 2359392925 XPPMIYZHMGGJPZ-HLFMIMNKSA-N 479.408 2.131 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)n1C 2362338404 DYAYKTKKDCRKFK-OWCLPIDISA-N 460.384 2.013 30 10 JEEE CS[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nc(C)n1C 2362480588 KRAZWRQAMOIMLF-GJZGRUSLSA-N 480.440 2.108 30 10 JEEE CC(C)(C)OC(=O)N1CC(c2c[nH][nH]c2=NC(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)C1 2380505448 PXIOSTVTMYLAMW-UHFFFAOYSA-N 475.380 2.174 30 10 JEEE C=CCNC(=O)NC(=O)Cn1cc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)ccc1=O 10438859 AJUJSPYVFLDGAR-UHFFFAOYSA-N 494.573 2.251 30 10 JEEE CCOC(=O)C1CCN(c2nc3c(c(=O)[nH]2)[C@@H](c2ccc(Cl)cc2)[C@@H](C#N)C(=O)N3)CC1 72444718 YRVBCZSSNBBHQS-CVEARBPZSA-N 455.902 2.427 30 10 JEEE C=CCNC(=O)CN1CCN(C(=O)[C@@H](CCSC)NC(=O)c2ccc(Cl)cc2Cl)CC1 512714416 RXFNMACCGUSSGB-GOSISDBHSA-N 487.453 2.291 30 10 JEEE Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)NCc2ccc(C#N)cc2F)CC1 609253891 OQZHFJOFYOBRIZ-UHFFFAOYSA-N 461.475 2.130 30 10 JEEE C=CCN(CCc1ccccc1)C(=O)NCCN=c1ncnc2n(C)[nH]c(Br)c1-2 729624938 GRQIWFTWDPJXLA-UHFFFAOYSA-N 458.364 2.352 30 10 JEEE COc1cccc(-c2cc(C(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)on2)c1 1136149219 BJAVZSNFMQCLKJ-UHFFFAOYSA-N 452.492 2.369 30 10 JEEE C=CCn1c(SC[C@H](O)CCC)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 1164621997 NUBGWJJXFIHGCV-QGZVFWFLSA-N 452.602 2.405 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(=O)NC(C)(C)C 1286295455 IZBYKNLWNJHWFV-IAGOWNOFSA-N 462.595 2.349 30 10 JEEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1286339268 UZSZAVXUUULOKF-PKOBYXMFSA-N 454.962 2.332 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@@H]1CCCN1CCC)[C@@H]1CCS(=O)(=O)C1 1286394972 YJLRLPQGXVNAPI-VQTJNVASSA-N 461.657 2.432 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(OC)c(OC(F)F)c1 1286431688 QLTJDKZNWMCSLZ-SFHVURJKSA-N 492.548 2.496 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)c1ccc(F)cc1 1286431755 RDNYKIWLZDAAOA-WIYYLYMNSA-N 473.574 2.017 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCC(=O)N1CCCCC1 1286437925 OWPZYWAIPNTKME-UHFFFAOYSA-N 472.615 2.058 30 10 JEEE C#CCN(CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@H]1CCCN(C(C)=O)C1 1286450365 QDCUXOYFTHNEDK-XMMPIXPASA-N 477.657 2.361 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC(=O)NCc2ccco2)CC1 1286484888 ZSJUVXHWORAFCO-UHFFFAOYSA-N 468.945 2.175 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1286493585 HQLITEUUEMGGIO-FQEVSTJZSA-N 468.627 2.155 30 10 JEEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCc2c(ccnc2O)C1 1286510735 AOGVRRQUKAYAHR-UHFFFAOYSA-N 454.581 2.299 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccn2)n1Cc1cccc(S(=O)(=O)NC)c1 1286525638 YJUFBYOBMXCBJI-HSZRJFAPSA-N 450.568 2.212 30 10 JEEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1286602240 WGYYBLBDBUGMNF-UNMCSNQZSA-N 460.623 2.103 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(N(C)C)c(F)c2)CC1 1286664108 UAZQTHFSZLYUDX-OAQYLSRUSA-N 492.621 2.267 30 10 JEEE C=CCCOCCn1c(Cc2ccc(F)cc2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1286713096 UMQDKAHAHWKAHH-XMMPIXPASA-N 470.549 2.415 30 10 JEEE C=CCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1286772165 QWLMIRAHGCXGCA-UHFFFAOYSA-N 487.402 2.473 30 10 JEEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1286775068 YISITWZUGWZVPR-DLBZAZTESA-N 453.609 2.450 30 10 JEEE C=CCOc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CCCC[C@@H](S(C)(=O)=O)C2)cc1 1286796855 ONSUTUHVQZZEDE-OAQYLSRUSA-N 487.626 2.417 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1286817055 OQUHMYUEPWSQRN-GOSISDBHSA-N 470.599 2.357 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(N2CCOCC2)nc1 1286969559 HLDAEOZMWULJIF-KRWDZBQOSA-N 480.598 2.145 30 10 JEEE C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)N[C@@H]2CNC(=O)C2)ccc1Cl 1295928587 CHHWFOFPCDVFFL-HNNXBMFYSA-N 451.907 2.479 30 10 JEEE CNC(=O)CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)CN2CCOCC2)CC1 1299161892 BENKAYBFSACRHN-LJQANCHMSA-N 465.602 2.138 30 10 JEEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1300380995 LIARCCHSLWEDEC-SFHVURJKSA-N 493.033 2.041 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCc1ncc(CC)s1)[C@H]1CCS(=O)(=O)C1 1300495416 HHPXCPZTDUFGJR-FUHWJXTLSA-N 463.629 2.408 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCc1ncc(CC)s1)[C@H]1CCS(=O)(=O)C1 1300495418 HHPXCPZTDUFGJR-WMZOPIPTSA-N 463.629 2.408 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCOc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1300495493 IBVRMRKZJHFCHU-MJGOQNOKSA-N 462.547 2.017 30 10 JEEE C#CCN(CC#CC)c1nnc(C2(c3ccccc3)CCC2)n1CC1(O)CCS(=O)(=O)CC1 1300557216 QXAGZXRRNORVFJ-UHFFFAOYSA-N 466.607 2.151 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H](C)N(CC)CC)CC1 1300681763 BFKMLDZUWXVVOR-IBGZPJMESA-N 472.037 2.347 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)CC1 1300708396 RQPGXBIBJSVRJQ-VXKWHMMOSA-N 491.640 2.372 30 10 JEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2ccccc2C)C1 1300732716 DPUPTLOETWRWLK-HKUYNNGSSA-N 463.629 2.141 30 10 JEEE C=C(Br)Cn1c(-c2noc3c2COCC3)nnc1N(C)[C@H](C)CS(=O)(=O)CC 1300845243 VFNGEROUFYXMRX-GFCCVEGCSA-N 474.381 2.174 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H](OC)C1 1300870567 UNCYFCKZLBTURM-QKNQBKEWSA-N 475.615 2.402 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCC(C(=O)NCCCOC)CC1 1300879760 FQDHTNOQTTVRRL-PZJWPPBQSA-N 469.590 2.085 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CCOC)CC1 1300897757 UUKILMPECUVFAX-XUZZJYLKSA-N 466.586 2.478 30 10 JEEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C(C)(C)C)C1 1301189222 SWEJELLOPMPBGT-MSOLQXFVSA-N 455.625 2.219 30 10 JEEE C=CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1301208787 DLQFIJJVFRLHPA-UHFFFAOYSA-N 482.585 2.200 30 10 JEEE C=CCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1301209467 VQGKBIOGIOIUCY-UHFFFAOYSA-N 470.965 2.031 30 10 JEEE C=CCN(CCOC)c1nnc(-c2cccnc2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1301420568 FWRIOQWSIJXLSD-UXHICEINSA-N 460.604 2.183 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1301481479 MDUQLRCKAXTNDZ-OSPHWJPCSA-N 484.557 2.150 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1301484092 ACYRCCAOALAVKY-SWLSCSKDSA-N 454.409 2.312 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](COCC)C1 1301502280 FMFFASRZSGSEIQ-RTBURBONSA-N 492.621 2.142 30 10 JEEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1301510349 VABTXQJUFMKQIU-UHFFFAOYSA-N 465.602 2.093 30 10 JEEE CCCNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(N2CCCC2=O)CC1 1313483139 BVIDONZMTAHBGQ-UHFFFAOYSA-N 479.585 2.236 30 10 JEEE COCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1316067770 AAVJUDLCFMXANP-XLNZFTOWSA-N 454.575 2.168 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CC(c2ccccc2)C1 1358890482 PZYGIBPBQLRRER-QUWFBVPJSA-N 457.600 2.263 30 10 JEEE C#CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1358910560 UERNXBWKVYQGSP-KRWDZBQOSA-N 470.599 2.348 30 10 JEEE C#CCCCCn1c(-c2noc3c2COCC3)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1358911188 NCZYUJPECMKEAQ-UHFFFAOYSA-N 476.603 2.060 30 10 JEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCCn2cc(C)nc21 1358941382 IFBFJAPYTUTJKK-IBGZPJMESA-N 467.599 2.347 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC1(C)COC1)[C@@H]1CCS(=O)(=O)C1 1358956589 IATBFSNDQMLDOB-FUHWJXTLSA-N 462.547 2.220 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCOCCCC)[C@@H]1CCS(=O)(=O)C1 1358959767 PHTYKIUDXGUKIC-QGZVFWFLSA-N 451.980 2.437 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CC(=C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1358967709 QMGBBTAMOZINDC-BDTNDASRSA-N 470.595 2.342 30 10 JEEE C=C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCNC(=O)c2ccco2)CC1 1359161829 SHSJKMFCICVDCP-UHFFFAOYSA-N 484.582 2.375 30 10 JEEE C=CCC(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1359190924 IGYUSGUOESIPKZ-MRXNPFEDSA-N 457.604 2.428 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C)on1 1359259453 WOPCEJPTCUOWDF-FQEVSTJZSA-N 472.571 2.148 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(C)(C)N2CCC[C@H](C)C2)C1 1359313295 JUUGARZUJGEDAP-GBESFXJTSA-N 468.668 2.180 30 10 JEEE CCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(C#N)c(O)c3)CC2)cc1OCC 1464634458 BZHXJGBUJFCISJ-UHFFFAOYSA-N 459.524 2.208 30 10 JEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@]3(CO)C[C@H]3c3ccccc3)CC2)cc1 1468573129 CHBXDLJDQBRVQR-UPVQGACJSA-N 453.564 2.241 30 10 JEEE COC(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](N2CCOCC2)C(F)(F)F)C1 1503861981 DZFMBGLTVKUDBX-MSOLQXFVSA-N 478.475 2.079 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1Cc1cccnc1OCC)[C@H]1CCS(=O)(=O)C1 1507635288 RFBCJBVXBOWENA-IBGZPJMESA-N 486.623 2.103 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCN2CCCC2)CC1 1507740606 CKAQDEDXSRXHKM-NHCUHLMSSA-N 456.635 2.258 30 10 JEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(c2ccccc2CO)CC1 1507745306 AQHGVHHUGNZOMB-QGZVFWFLSA-N 477.656 2.131 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1507916504 ROYYIVHPNVWUAU-IRXDYDNUSA-N 453.609 2.497 30 10 JEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2ccc(F)cc2F)C1 1507953732 HSQBRVGSEGKISV-VQTJNVASSA-N 497.568 2.433 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCO[C@H](c2nccs2)C1 1508095591 YNLCDSNZECOTOL-SFHVURJKSA-N 470.555 2.202 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC2([S@@](C)=O)CCC2)C1 1508112593 BFMMEJNKHHYYAJ-PTVNOCSOSA-N 452.621 2.401 30 10 JEEE C=CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(=O)NCC)CC1 1508149659 CQHNCUKCXFOSRV-UHFFFAOYSA-N 478.644 2.119 30 10 JEEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1508169549 KKVZWNHFYRAZRO-KSZLIROESA-N 458.650 2.325 30 10 JEEE CC(=O)N(C)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCCN2CCOCC2)CC1 1508174205 FEFSKUFDGCYUGZ-UHFFFAOYSA-N 465.602 2.376 30 10 JEEE Cc1ccc(S(=O)(=O)NCCn2c(-c3cccn3C)nnc2N2CCC(C#N)CC2)s1 1511028900 FHVKNANPZCOEAR-UHFFFAOYSA-N 459.601 2.372 30 10 JEEE COc1cc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CC2CCS(=O)(=O)CC2)cc(OC)c1OC 1517962571 GTEXYARFRKSXMK-QFIPXVFZSA-N 493.561 2.238 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@@H]1CCC2(C1)OCCO2)[C@@H]1CCS(=O)(=O)C1 1539220876 VVHNYBIGPMRACH-QZTJIDSGSA-N 450.605 2.037 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1539251657 LXVCXFDHKDFANZ-UHFFFAOYSA-N 490.564 2.290 30 10 JEEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2CC[C@@H](N2CCOCC2)C(F)(F)F)CC1 1539453749 DHVIWLWIDBQTEI-JOCHJYFZSA-N 490.574 2.472 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCNC(=O)c2cccc(C)c2)CC1 1539480569 CCHMANKYDPFHFG-QFIPXVFZSA-N 478.597 2.224 30 10 JEEE C=CCN(CCOC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H]1COCCO1 1540200522 BMMWCIJOMPEAMN-IBGZPJMESA-N 465.595 2.447 30 10 JEEE C=CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1540857618 JACAIQMFUFDEKR-IRXDYDNUSA-N 468.624 2.049 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1540863545 YDZPRXNJPVAWCP-YADHBBJMSA-N 482.629 2.496 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCN(c2ccnc(C)n2)CC1 1540899976 HCHRFJWMPLBRJA-UHFFFAOYSA-N 467.599 2.279 30 10 JEEE CC(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1541547967 ANCSUQBRKYQUOT-HXUWFJFHSA-N 458.588 2.104 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCC1CC(OC(C)(C)C)C1 1541927253 HCNJPQBAXVMTSY-ALIKPJSESA-N 456.588 2.314 30 10 JEEE C=C(C)Cn1c(SCC(=O)N(C)C2CCN(S(C)(=O)=O)CC2)nnc1-c1ccco1 1544366458 BFKRPLHCDNKFIX-UHFFFAOYSA-N 453.590 2.089 30 10 JEEE CCN(CCCn1c(CC2CC2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1)S(C)(=O)=O 1547574856 BATBPDGLRVDSAJ-UHFFFAOYSA-N 489.621 2.240 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)N2CCCN(C(=O)c3ccccc3F)CC2)[C@H](C#N)C1 1564530282 ADGGLSDUNFLKQT-VQIMIIECSA-N 459.522 2.442 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CN(CC(C)C)CCO1 1587569312 WPDSXYJGCADCFQ-QUCCMNQESA-N 487.674 2.361 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CCSC(C)C)c1 1587693142 PQBQIIXPZCRCMM-SFHVURJKSA-N 475.640 2.378 30 10 JEEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 1587898523 QWTXSNLMBWDGHQ-ZJBJCVSYSA-N 456.543 2.486 30 10 JEEE C#CCN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCCC)[C@@H]1CCS(=O)(=O)C1 1588030251 RNNKSNCZIFKNBE-GOSISDBHSA-N 463.991 2.288 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1588059534 PUNVXDYVXQFGGL-NRFANRHFSA-N 459.591 2.121 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@H]1CCC=CO1)[C@@H]1CCS(=O)(=O)C1 1588069130 HRYYABPROUDZGH-UYAOXDASSA-N 460.531 2.316 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1CCCc1c[nH]nc1C)[C@@H]1CCS(=O)(=O)C1 1588069188 JFHJEZCTPCOJOS-OAQYLSRUSA-N 482.610 2.457 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@@H](C)N(C)C1CC1)[C@@H]1CCS(=O)(=O)C1 1588069401 MWSXQJVNZQMAOG-DENIHFKCSA-N 455.628 2.173 30 10 JEEE C#CCN(CC)c1nnc(COc2ccc(Br)cc2)n1CCNC(=O)c1cc[nH]n1 1588445117 GYEQOJQGZPIPDO-UHFFFAOYSA-N 472.347 2.232 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCSc2nccs2)CC1 1588732602 DKRCPXDRZQFEAU-UHFFFAOYSA-N 468.612 2.320 30 10 JEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC(NC(=O)c2ccccc2)CC1 1588968647 OCZQPVYPOCFVSM-UHFFFAOYSA-N 466.611 2.279 30 10 JEEE C=CCN(CC=C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@]1(O)CCO[C@@H]1C 1595179119 YNPVLGQHOCUHRG-VGSWGCGISA-N 460.604 2.265 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1595496982 MZCBBGHXDONZPV-DLBZAZTESA-N 472.590 2.192 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1595773347 YKEBFJJURYXFEH-LJQANCHMSA-N 467.555 2.493 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 1595805871 WTXBDDVDEWFPAC-UHFFFAOYSA-N 461.636 2.317 30 10 JEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CC[C@H](Cc2ccccc2)C1 1595824211 YRAGZJQZCUJGDX-HXUWFJFHSA-N 457.600 2.070 30 10 JEEE C=CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1595901314 SVVQGITYLRQXLI-HNNXBMFYSA-N 469.658 2.202 30 10 JEEE C#CCN(C(=O)CCc1c(C)nn(COCC[Si](C)(C)C)c1C)[C@H]1CCS(=O)(=O)C1 1597138221 JZIIHBQULJAKOS-IBGZPJMESA-N 453.681 2.394 30 10 JEEE C#C[C@@H](C)N(C)C(=O)c1ccc(S(=O)(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 1626459080 QEGJFVTZIGTCTH-MRXNPFEDSA-N 452.536 2.379 30 10 JEEE N#Cc1ccc(N2CCN(C(=O)NCCN3CCN(c4cccc(Cl)c4)CC3)CC2)nc1 1633504216 CPLKJSMUSBWNLP-UHFFFAOYSA-N 453.978 2.260 30 10 JEEE COc1ccccc1COC1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 1636350025 DWRPREVSIJDMHB-KRWDZBQOSA-N 457.552 2.441 30 10 JEEE Cc1c(C#N)c(NC(=O)CN2CC[S@@](=O)C[C@H]2c2cnn(C)c2)n(-c2ccccc2)c1C 1645495462 BBCCZRJCJICZIW-GFJKYASSSA-N 450.568 2.443 30 10 JEEE C[C@H]1CSCCN1c1nnc(-c2cccc(C#N)c2)n1CCS(=O)(=O)N1CCSCC1 1649562533 CUNOCEBQLFINBK-INIZCTEOSA-N 478.669 2.137 30 10 JEEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1689954120 LZYQGXVNCHFWLK-MRXNPFEDSA-N 451.535 2.246 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCN1CCCS1(=O)=O 1690006278 MHASMBBPAVAZKX-UHFFFAOYSA-N 457.625 2.384 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1CCn1cc([C@H]2CCOC2)cn1 1690097841 PYXMGRSZKWWSOV-SFHVURJKSA-N 455.950 2.480 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@H](C)N2CCC[C@H](C)C2)CC1 1690148479 IOEPYJWOPRFEFQ-SFTDATJTSA-N 463.630 2.350 30 10 JEEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1690179295 UPIKZNMMOOKPAE-UHFFFAOYSA-N 470.672 2.446 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1690248840 QJJQTEMPAQMADA-ONTIZHBOSA-N 495.690 2.479 30 10 JEEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1690346550 WMWPXSRGDLHQRJ-HNNXBMFYSA-N 466.951 2.168 30 10 JEEE C=CC[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NS(=O)(=O)CC)CC1)c1ccccc1 1690444789 MBRUFYXRMVSSNE-FPOVZHCZSA-N 486.642 2.497 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCOCC1(C)C 1690609495 QJIASANKBGYPCZ-LJQANCHMSA-N 477.631 2.119 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2Cc2ccc(C(N)=O)nc2)C1 1690685282 ZNMDDCFGOZZGJS-IBGZPJMESA-N 495.971 2.185 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 1690722703 SFIFGHQPBZSBSX-QGZVFWFLSA-N 476.603 2.292 30 10 JEEE Cc1cc(C(=O)N2CCN(c3nnc(-c4ccc(C#N)cc4)n3CCCS(C)(=O)=O)CC2)c(C)o1 1692965072 DDJUDDILHNLGBW-UHFFFAOYSA-N 496.593 2.424 30 10 JEEE Cc1ccc(Cn2c(C3CCN(c4ncccn4)CC3)nnc2N(C)[C@@H](C)CC#N)c(=O)n1C 1693095536 GGXRGTHYGGHFKC-SFHVURJKSA-N 461.574 2.246 30 10 JEEE CCN1CCN(C[C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2C[C@H](C)O[C@H](COC)C2)CC1 1695897199 GKMYBKZRMGQBIU-HFMPRLQTSA-N 481.645 2.330 30 10 JEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1cccc(C(C)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 1705559203 UHXCVUMFUXRASB-LJQANCHMSA-N 491.564 2.301 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCCOC[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 1705563011 OVYMEZAODPVTMI-RBUKOAKNSA-N 462.572 2.059 30 10 JEEE C#CCN(c1nnc(-c2ccccc2)n1CCCOC[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 1705564499 OTXPMXYSFUQPSM-LEWJYISDSA-N 458.584 2.158 30 10 JEEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(C(C)(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 1705566970 SUSGASNFNGKABD-QZTJIDSGSA-N 477.537 2.016 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CC[S@@](=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1705568295 KFYISYYKXPNOFW-AYLZSAKASA-N 492.667 2.339 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1705700311 RUDLZJZZRBJEMU-GNXKAVGDSA-N 474.650 2.190 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1705700351 SCQLLZIPOPHWHS-NQIIRXRSSA-N 474.631 2.490 30 10 JEEE C=CC1CCN(c2nnc(C(=O)N3CCCC3)n2CCNC(=O)Cc2cccc(F)c2)CC1 1705776086 XCLVSXNVKDJFFP-UHFFFAOYSA-N 454.550 2.415 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC(n2ccc(C(F)(F)F)n2)CC1 1705900939 UXSOWWLKKDAJEQ-UHFFFAOYSA-N 463.468 2.038 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCO[C@H]2C(C)C)C1 1705925486 PWJUQONGMUAUHL-NMLBUPMWSA-N 452.621 2.413 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](c2ccnn2C)C1 1705934278 HUFNTTHJHDCLNP-SFHVURJKSA-N 455.588 2.367 30 10 JEEE CC(C)N1CCN(C2CCN(c3nnc(-c4ccc(C#N)cc4)n3CCCS(C)(=O)=O)CC2)CC1 1706576046 FOMRQDYOUSGPAS-UHFFFAOYSA-N 499.685 2.246 30 10 JEEE CCCNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(NC(=O)C(C)C)CC1 1709829963 HRLMWXSGAVTACG-UHFFFAOYSA-N 451.575 2.474 30 10 JEEE COCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1712421606 FKKJTBDMXDBPIS-QGZVFWFLSA-N 465.524 2.468 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCCOc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1722367517 NOMWZVSCRHUMND-UYAOXDASSA-N 476.574 2.407 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(N2CCOCC2)c(F)c1 1722388293 YSAISUOYRNYXHV-UHFFFAOYSA-N 464.545 2.001 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CCNC(=O)C(C)C 1722508217 RHKADAONWGMDDH-GCJKJVERSA-N 493.612 2.382 30 10 JEEE C=CCC(C)(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(CC(=O)NCC)CC1 1722592521 ZWKGSNRZUVMXFW-UHFFFAOYSA-N 492.628 2.052 30 10 JEEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H](C)CN1CCN(CC)CC1 1722632168 JYYFYQFDFRYTPP-IBGZPJMESA-N 460.648 2.244 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 1722726436 FHMSOZZLEYGTAJ-ZWKOTPCHSA-N 483.635 2.124 30 10 JEEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@]2(CCc3ccccc32)C1 1722731672 BQHVTDOBFVAAPO-VGOFRKELSA-N 477.656 2.486 30 10 JEEE CCS(=O)(=O)NCCn1c(CC(C)(C)C)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1729226718 CCNNQBQLYXPLLX-UHFFFAOYSA-N 477.610 2.143 30 10 JEEE C#CCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1740583302 OGKUOKFQBKSZSF-SFHVURJKSA-N 453.572 2.267 30 10 JEEE C#CCCCn1c(CCc2ccc(OC)cc2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1740594593 RTDKZTAJMDGJPH-UHFFFAOYSA-N 473.581 2.306 30 10 JEEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCCN1C[C@H](C)O[C@@H](C)C1 1740612488 ASGYMJXSOOAOMG-ZEQRLZLVSA-N 479.673 2.212 30 10 JEEE C#CCN(c1nnc(COCC)n1Cc1cccc(OCC(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 1740627912 LEYDKIIWJBGLEF-KRWDZBQOSA-N 486.516 2.431 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@@](C)(O)CCC)[C@H]1CCS(=O)(=O)C1 1740629076 ZXUMUFCCKKRXEU-CVDCTZTESA-N 460.600 2.343 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(S(C)(=O)=O)CCCC1 1740663891 AVDQHBIVHDPKMU-UHFFFAOYSA-N 464.613 2.166 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC(S(=O)(=O)CC)CC2)nnc1[C@]1(OCC)CCOC1 1740767575 PQKKZZBCURTUKB-RFWXGWTQSA-N 482.647 2.315 30 10 JEEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1740787919 LZYYUDASPDLFIX-CYBMUJFWSA-N 460.398 2.498 30 10 JEEE C=CCCOCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1740885900 QLJSKJFFIHXMPC-MOPGFXCFSA-N 452.563 2.142 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1OCCC1(C)C 1740937987 UZGOSWNERSSOQI-VQTJNVASSA-N 493.630 2.254 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(OC[C@H]2CCOC2)CC1 1740955117 MJAIDHLUUHYTBS-IBGZPJMESA-N 450.543 2.141 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N(C)Cc1ccc(Br)o1 1740986450 YFNDPZLOSOXXGD-UHFFFAOYSA-N 474.381 2.009 30 10 JEEE CC[C@@H](C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCCN(CC)S(C)(=O)=O 1743748425 FHADAJPCUJKLPG-GOSISDBHSA-N 474.635 2.056 30 10 JEEE CC[C@H]1C[C@H](C)CN1c1nnc(COc2ccc(C#N)cc2)n1CCN1CCCS1(=O)=O 1744840043 GZUDWNCRBPPXEJ-HKUYNNGSSA-N 458.588 2.389 30 10 JEEE CN(CCNS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(OC(C)(C)C)nc1 1747973199 GZKOUTVXXBPRHT-UHFFFAOYSA-N 483.598 2.423 30 10 JEEE CNC(=O)[C@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1ncccc1N(C)C 1748121056 CVPRRONHTSBZTF-QGZVFWFLSA-N 462.558 2.056 30 10 JEEE C#CCN(C)c1nnc(-c2cccc(Br)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1748774081 RKACARDMISUGTC-AWEZNQCLSA-N 452.378 2.059 30 10 JEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc(OCCOC)cc1 1748784313 JCBWQRSYQNWJIT-UHFFFAOYSA-N 468.583 2.381 30 10 JEEE C#CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@]1(C)CN(C2CC2)C1=O 1748790238 GQSSQMGKHLSRBI-XMMPIXPASA-N 456.591 2.473 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CC1(CC)CCC1)[C@@H]1CCS(=O)(=O)C1 1748804792 LGMUXSQXGLFGTN-GCJKJVERSA-N 450.605 2.137 30 10 JEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CCc1cccc(C(=O)N(C)C)c1 1748856042 QWBHQXPOCONCOP-UHFFFAOYSA-N 474.590 2.287 30 10 JEEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1CCC[C@@H](C)C1 1749229940 RFMHRNVNFBZULG-QYZOEREBSA-N 455.625 2.219 30 10 JEEE C=C1CCN(c2nnc(COc3ccc(OC)cc3)n2CCN2CCN(C(C)=O)CC2)CC1 1749311083 CCRRMTBIZXEAHO-UHFFFAOYSA-N 454.575 2.186 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCCNS(C)(=O)=O)C1 1749718017 AASMPKWRZANNCW-ROUUACIJSA-N 498.650 2.071 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC(CN2C[C@H](C)O[C@H](C)C2)CC1 1749731399 CONQRMBQERRNLI-RZUBCFFCSA-N 495.690 2.099 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H]1c1nncn1C 1749739534 FKEVGODXELWIRR-SFHVURJKSA-N 475.550 2.067 30 10 JEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](c2ccc(OC)cc2)C1 1760136958 DGYOCHXYOGFTGY-RBBKRZOGSA-N 487.626 2.417 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@H](c1ccco1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1760188993 FABQSJZJFFNJOQ-RTBURBONSA-N 473.624 2.453 30 10 JEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCN(C)CC(F)(F)F 1760196394 MSTWHUDGMJOEPF-UHFFFAOYSA-N 481.548 2.114 30 10 JEEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cccc(C(=O)NC)c1 1760231708 DFTRONXCMSQTOS-UHFFFAOYSA-N 465.583 2.106 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](c2ccccc2)N(CC)CC)CC1 1760259805 QFPKFMXVKLCHLD-PKTZIBPZSA-N 484.670 2.019 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2CCO[C@H](C)C2)CC1 1760266764 LREMITJSJCQBAU-MOPGFXCFSA-N 499.637 2.130 30 10 JEEE C#CCSCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCO[C@H](CNC(C)=O)C1 1760279424 CWDGOHOHMRZOIX-LJQANCHMSA-N 466.567 2.308 30 10 JEEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(c2ncccn2)CC1 1760434389 YMSAOJXPQJESCY-UHFFFAOYSA-N 482.614 2.278 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC(N2CCCC2=O)CC1 1760515431 DYSXOXSCOUSUEA-KRWDZBQOSA-N 470.549 2.451 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(CC2CC2)CC1 1760524386 WPRGTDMSXYMOLA-FQEVSTJZSA-N 487.649 2.227 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2sccc2[C@H]1CC 1760548452 GXCVTPPYDUWJBZ-GDBMZVCRSA-N 487.673 2.064 30 10 JEEE C=CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCCN(C(C)=O)CC1 1760564108 OYXPDLJLHMMBCA-UHFFFAOYSA-N 467.599 2.170 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CCc1ccncc1 1761236476 FJDIWMOCYQEQGL-UHFFFAOYSA-N 458.570 2.248 30 10 JEEE C[C@@H]1OCC[C@@]1(O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@](C)(C#N)C1 1763265816 AQAIXRRVGDOUDW-KNXBSLHKSA-N 459.572 2.019 30 10 JEEE CC[C@@H](NC(=O)CCS(=O)(=O)c1ccc(OC)c(OC)c1)C(=O)Nc1cccc(C#N)c1 1866802830 IDXVKSOWKUELAE-GOSISDBHSA-N 459.524 2.273 30 10 JEEE N#Cc1nnn(Cc2cccc3ccccc23)c1NC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 1870110726 GDZRPZNKDXZLSD-UHFFFAOYSA-N 481.428 2.494 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCCOC)cn1CCCCN(CC)CC 1870524678 CJKYFXRADPOMAA-UHFFFAOYSA-N 462.635 2.286 30 10 JEEE COc1cc(OC)c(OC)cc1/C=N/n1c(Cc2ccccc2[N+](=O)[O-])nnc1SCC(N)=O 1874295545 HSBAXNMLFCGINI-FOKLQQMPSA-N 486.510 2.263 30 10 JEEE CC(C)N1C[C@@H](c2nnc(SCC(=O)NCc3ccco3)n2/N=C/c2cccnc2)CC1=O 1874333718 WKJKHELFUWDMTG-XMQIJXBMSA-N 467.555 2.281 30 10 JEEE COc1cccc(N2C[C@@H](C(=O)N3CCC(OCC#CCN4CCN(C(C)C)CC4)CC3)CC2=O)c1 1890399286 RCSNYMGVFHJUQR-QHCPKHFHSA-N 496.652 2.085 30 10 JEEE COC(=O)Nc1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)NCC#CCN2CCCCC2)cc1 1890877448 ARFAILBWCNJIMF-NRFANRHFSA-N 476.599 2.014 30 10 JEEE N#Cc1nc(-c2cccs2)oc1N1CCC(C(=O)N2CCO[C@@H](C(=O)N3CCCC3)C2)CC1 1892021655 WNNHRGJSIAURIN-GOSISDBHSA-N 469.567 2.341 30 10 JEEE COc1cc([C@@H]2C(C(=O)c3cnccn3)=C(O)C(=O)N2c2nncs2)cc(OC)c1OC 2033815752 QYUWKAJRPMGGMW-OAHLLOKOSA-N 455.452 2.137 30 10 JEEE COCCN1C(=O)C(=Cc2c(C)c(C#N)c(=O)n(C)c2N2C[C@H](C)O[C@@H](C)C2)SC1=S 2053510710 ORDSXEVMFWMMHP-STQMWFEESA-N 462.597 2.027 30 10 JEEE CC[C@@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@H](C)C[C@@H](C)C(=O)C=C[C@]1(C)O 2058696763 HUKYPYXOBINMND-CQFOWGFISA-N 469.619 2.308 30 10 JEEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@]1(C(=O)O)CCCN(C(=O)OC(C)(C)C)C1 2059916055 ZQCFZCONUWBFJE-IVZQSRNASA-N 453.536 2.264 30 10 JEEE CC1(C)OB(c2cc(F)ccc2S(=O)(=O)NCCNC(=O)OCc2ccccc2)OC1(C)C 2247901716 OPNIOWZVNHEDER-UHFFFAOYSA-N 478.351 2.330 30 10 JEEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)[C@@H]2C[C@@H]21 2255947898 FQIFEGZBPRHTRP-LSDHHAIUSA-N 470.422 2.430 30 10 JEEE CC(C)(C)OC(=O)NCCN1CCN(C(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)CC1 2266999341 XIGRZIIDFVTBSC-UHFFFAOYSA-N 465.425 2.330 30 10 JEEE CC(C)(C)OC(=O)N1CCC(N(CC(N)=O)C(=O)[C@H]2C[C@@H]2B2OC(C)(C)C(C)(C)O2)CC1 2267097738 RQDVIUOEXLRJQE-HOTGVXAUSA-N 451.373 2.182 30 10 JEEE COCCN(CC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F)C(=O)OC(C)(C)C 2268632196 HHUBRVNIJJUCTB-UHFFFAOYSA-N 453.320 2.342 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@H]1CNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2281769386 DDGPFPCPJUXGHS-MRXNPFEDSA-N 464.343 2.491 30 10 JEEE CC(C)(C)OC(=O)N1[C@H](CNC(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)C[C@@H]2OCC[C@@H]21 2281831545 CXTHFPVJBNZXCF-ULQDDVLXSA-N 462.352 2.476 30 10 JEEE Cc1cc(C(=O)NC[C@]2(O)CCCN(C(=O)OC(C)(C)C)C2)oc1B1OC(C)(C)C(C)(C)O1 2281967927 AEEQSAHIWILUKO-HSZRJFAPSA-N 464.368 2.379 30 10 JEEE CON(C(=O)c1c(C)nn(C)c1B1OC(C)(C)C(C)(C)O1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2281998762 TUUXAAPMCFLQIF-HNNXBMFYSA-N 464.372 2.041 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H]2CN(C(=O)c3ncc(B4OC(C)(C)C(C)(C)O4)cn3)CC[C@H]21 2282030098 AJYYVCNQJRJBMT-NVXWUHKLSA-N 458.368 2.247 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2282031362 RCDJWMSXJHRQFP-DLBZAZTESA-N 458.368 2.390 30 10 JEEE Cn1nc(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2282040866 OQPDUTDYWCIGBK-QGZVFWFLSA-N 474.798 2.004 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2C[C@@H]3[C@@H](NC(=O)OC(C)(C)C)C[C@H]3C2)n1 2282042341 BYDLTAKVKKLCAK-AIANPOQGSA-N 460.384 2.141 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2OCCN(C(=O)c3ccccc3B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2282648619 QGZWPTAZQRXVPW-MOPGFXCFSA-N 458.364 2.446 30 10 JEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1CCNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2283059309 HNABAVUBWQAJEI-HOTGVXAUSA-N 460.384 2.399 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@H]1C(=O)N1CCc2sc(B3OC(C)(C)C(C)(C)O3)cc2C1 2284040707 NPLIVCFTRUJDPW-HZPDHXFCSA-N 478.420 2.472 30 10 JEEE CN(C(=O)OC(C)(C)C)C1(C(=O)NCCc2ccccc2B2OC(C)(C)C(C)(C)O2)COC1 2284043536 YOTCNINXSXEWEP-UHFFFAOYSA-N 460.380 2.280 30 10 JEEE CC(C)(C)OC(=O)NCC12COC(C(=O)Nc3ccc(B4OC(C)(C)C(C)(C)O4)cn3)(C1)C2 2284046660 DKEMTCJNWCQBBG-UHFFFAOYSA-N 459.352 2.393 30 10 JEEE CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)NCc1ccccc1B1OC(C)(C)C(C)(C)O1 2284060536 OONQMGCOLFYHPK-MJGOQNOKSA-N 460.380 2.484 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)NCc2cc(B3OC(C)(C)C(C)(C)O3)ccc2F)C1 2284147571 NKAMKJPGHGSHOQ-QHCPKHFHSA-N 464.343 2.113 30 10 JEEE CC1(C)OB(c2cnsc2C(=O)NC2(C(=O)O)CCN(Cc3ccccc3)CC2)OC1(C)C 2284476785 OQLLFXGAODLGFK-UHFFFAOYSA-N 471.388 2.292 30 10 JEEE CC(C)(C)OC(=O)N[C@@]1(C(=O)N2CC[C@@H]3C[C@]3(B3OC(C)(C)C(C)(C)O3)C2)CCS(=O)(=O)C1 2357337546 BBTHVNJYKONHJF-YDFBLROQSA-N 484.424 2.153 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H]3C[C@@H]3[C@H]2CNC(=O)OC(C)(C)C)n1C 2362332417 NEPTXZGJNLNDPP-HRCADAONSA-N 460.384 2.013 30 10 JEEE 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)ncn1C 2362354211 QSBAFKRPRFNSQI-HOTGVXAUSA-N 462.400 2.437 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)C1CCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)CC1 2362357944 UBYSOYHOAWLIIR-HNNXBMFYSA-N 462.400 2.485 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C(F)F 2362466647 ZAIYSDHIXRLFKZ-DLBZAZTESA-N 460.334 2.215 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@H]2CCN(C(=O)c3cnsc3B3OC(C)(C)C(C)(C)O3)C[C@H]21 2362575248 ZYNBFZIHFPULQT-HZPDHXFCSA-N 479.408 2.293 30 10 JEEE Cc1ccc(NC(=O)[C@@H](CC(N)=O)NC(=O)OC(C)(C)C)c(F)c1B1OC(C)(C)C(C)(C)O1 2381157750 LCJRZNMIDOVAPF-CQSZACIVSA-N 465.331 2.141 30 10 JEEE COC(=O)c1ccc(/C=N/Nc2nnc(SCCC(=O)Nc3cccc([N+](=O)[O-])c3)n2N)cc1 20914078 VGBRUICTDVMFQV-WSDLNYQXSA-N 484.498 2.254 30 10 JEEE CCOC(=O)C1CCN(c2nc3c(c(=O)[nH]2)[C@H](c2ccc(OCC)cc2)[C@@H](C#N)C(=O)N3)CC1 72444727 MFPMFWIBQGPNFV-QZTJIDSGSA-N 465.510 2.172 30 10 JEEE COC(=O)c1[nH]c(C)c(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccs2)c1C 102522810 XGHRTHYPISCHEA-BWHWTHMTSA-N 473.551 2.234 30 10 JEEE CCCC/C=C/CCN1C(=O)[C@@H]2[C@H](c3ccccc3C#N)N[C@](CC(=O)O)(C(=O)O)[C@@H]2C1=O 248258164 LMCRABUXAJQALE-XWIJUKHCSA-N 453.495 2.238 30 10 JEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CC3(CCOCC3)[C@@H]2c2cnn(CC(C)C)c2)cc1 849529725 ZPGVVUPIQHWWBK-QFIPXVFZSA-N 470.595 2.445 30 10 JEEE CCOc1cc(C=NNc2nnc(SCC(=O)Nc3ccc4c(c3)OCCO4)n2N)ccc1O 1084594247 VXAXQDXWNTYMSF-UHFFFAOYSA-N 485.526 2.044 30 10 JEEE C=CCOc1ccc(/C=C/C(=O)N2CCN(c3ccccc3S(N)(=O)=O)CC2)cc1OC 1168506280 YJFRYINGDZWVHV-PKNBQFBNSA-N 457.552 2.269 30 10 JEEE CCN(C[C@H](C)C#N)S(=O)(=O)N(CCNC(C)=O)Cc1ccc(Br)s1 1189549926 BWIRHVLLIAJKRZ-GFCCVEGCSA-N 451.412 2.175 30 10 JEEE COCCN(CCC#N)S(=O)(=O)N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 1210785962 FYZSHUOHXNRDDF-CYBMUJFWSA-N 455.890 2.029 30 10 JEEE C#CCN(C(=O)c1cc(S(=O)(=O)N2CCN(CC)CC2)ccc1Cl)c1nccs1 1265710953 HYDORLSTMJGBMM-UHFFFAOYSA-N 452.989 2.403 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCCN1CCCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1286390573 AXZMCZQGTWSOLD-BHDDXSALSA-N 477.675 2.453 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CC(C)(C)CN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1286390835 AFCFBYSMRGMYLN-OAQYLSRUSA-N 470.643 2.013 30 10 JEEE C#CCN(c1nnc(Cn2ccc3ccccc32)n1C[C@](C)(O)C(C)C)[C@H]1CCS(=O)(=O)C1 1286393828 SEXADAGUKRGRGU-RDPSFJRHSA-N 469.611 2.315 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@H]1CCCOC1)[C@@H]1CCS(=O)(=O)C1 1286395749 NBXYRVXNQQWUGI-IEBWSBKVSA-N 462.547 2.050 30 10 JEEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H]1NC(=O)CC1(C)C 1286414060 RGGBUMUWCVYJKN-IBGZPJMESA-N 468.602 2.380 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCCc2cnn(C)n2)CC1 1286486984 JRRGVNZRXWRMRE-UHFFFAOYSA-N 466.977 2.326 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2c(F)cc(F)c(F)c2F)CC1 1286490494 WRVRRCFLDZUOGK-UHFFFAOYSA-N 473.434 2.306 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1286554575 YMHGZCCNXHLNCX-UYAOXDASSA-N 470.574 2.001 30 10 JEEE C=C(Cl)Cn1c([C@@H](C)OCCOC)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1286622507 PQRYHAFDGBIYIH-CYBMUJFWSA-N 455.972 2.461 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1286780387 FDGAENIGARXNLJ-NRFANRHFSA-N 491.600 2.499 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1286783610 WRQZVZHXTJAMCB-RUZDIDTESA-N 478.553 2.382 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@@H](C)c1cc(F)ccc1F 1286819917 ZKWBACLVQDOKPR-SUMWQHHRSA-N 453.515 2.306 30 10 JEEE CC(C)SCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1288418655 ATOMKEGPRUJUGP-SFHVURJKSA-N 465.587 2.490 30 10 JEEE C[C@H](N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CC2)CC1)C(F)(F)F 1288750877 COMAKPXZEHKIOP-HNNXBMFYSA-N 482.532 2.467 30 10 JEEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1300371311 BSFBTRNZYOOSNM-LJQANCHMSA-N 456.616 2.374 30 10 JEEE C#CCCCCn1c(N2CC[C@]3(CCS(=O)(=O)C3)C2)nnc1[C@]1(OC(C)C)CCOC1 1300377594 WPERUPCRRYNOFP-VXKWHMMOSA-N 450.605 2.137 30 10 JEEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@H](OCCOC)C1 1300411142 QZSLSKMBEXAUMI-NRFANRHFSA-N 453.591 2.497 30 10 JEEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(F)(F)C1(OC)CCOCC1 1300459603 UVFAQUZDGPBYBJ-UHFFFAOYSA-N 475.544 2.352 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCNC(=O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1300481897 CFSWJZKDOORKHF-TZIWHRDSSA-N 499.637 2.188 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@H](CC)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1300490114 ZRJVNQJLBUTHPZ-LEWJYISDSA-N 471.627 2.455 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ccc(CN(CC)CC)cc1)[C@H]1CCS(=O)(=O)C1 1300491277 GCGGAZNIKBFPSJ-QFIPXVFZSA-N 493.637 2.252 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCOc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1300495490 IBVRMRKZJHFCHU-HKUYNNGSSA-N 462.547 2.017 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1ccncc1 1300537459 HKIFNAYENCDVOO-FQEVSTJZSA-N 450.543 2.297 30 10 JEEE C#CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1CC1(C(=O)N(C)C)CCCC1 1300673603 RMCWVNLWRVFNER-UHFFFAOYSA-N 463.586 2.251 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCCC(=O)N(CC)CC)CC1 1300722888 NBZSXHRXCJWNCB-HXUWFJFHSA-N 458.607 2.134 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CCc2ccccc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1300893477 ZRHOTFZTUWJKPC-FIXSFTCYSA-N 453.587 2.386 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCN(Cc2csc(C)n2)CC1 1301491172 FLPNZFIRCXNHEX-UHFFFAOYSA-N 455.563 2.474 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@@H](c2nnc(N3CCO[C@H](C#N)C3)n2Cc2cccc(C(N)=O)c2)C1 1302223219 DAJXEKYJIYRZLO-WOJBJXKFSA-N 495.584 2.269 30 10 JEEE CC(C)CN1CCO[C@@H](Cn2c(CN3CCCC3=O)nnc2N(C)Cc2ccc(C#N)cc2)C1 1303202985 BFCHIRFNOBRSHS-JOCHJYFZSA-N 465.602 2.265 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC(C)(C)c1ccccn1 1303402157 FNQFWLCUVUPFFZ-UHFFFAOYSA-N 473.585 2.382 30 10 JEEE CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)OC)CC1 1305641955 BSAILUOAQHAYFC-SFHVURJKSA-N 453.591 2.278 30 10 JEEE C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@H](O)COc2cccc(C(F)(F)F)c2)c1 1309225941 KXLVWBPOLSPBTA-INIZCTEOSA-N 458.458 2.339 30 10 JEEE CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1313557037 BGSPJTAHJWHQQX-UHFFFAOYSA-N 483.573 2.122 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(-c2ccsc2)nc1 1358889400 BKDRLEDYAFRGJZ-JXFKEZNVSA-N 486.623 2.241 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CCCCS1(=O)=O 1358900411 JWBHZKZPERGLAA-BDXSIMOUSA-N 465.620 2.474 30 10 JEEE C#CCN(c1nnc([C@@H](CC)c2ccccc2)n1CC1(C(N)=O)CCCC1)[C@@H]1CCS(=O)(=O)C1 1358956918 MLUHXDPCRMBRAX-RTWAWAEBSA-N 483.638 2.492 30 10 JEEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1C[C@@]1(O)CCSC1)[C@H]1CCS(=O)(=O)C1 1358957727 YZVBZLXFDQIYON-MZKRTTBSSA-N 474.652 2.315 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1CCCN(C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1358960948 PBGFVBVJCNUOFQ-NRFANRHFSA-N 464.595 2.493 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCc1nc(C)c(C)s1)[C@@H]1CCS(=O)(=O)C1 1358961549 ASXZKZBMIXLOHW-QZTJIDSGSA-N 463.629 2.462 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1Cc1nccn1C(F)F)[C@@H]1CCS(=O)(=O)C1 1358964973 LJVFDEQENUWAJO-QGZVFWFLSA-N 478.500 2.275 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(C3CCC3)n2C[C@H]2CCCN(C(C)=O)C2)n1 1359028597 XOTYZKBYDGMUMO-FQEVSTJZSA-N 453.591 2.287 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2Cc2sc(C)nc2C)CC1 1359041367 UPAOPYYGJGBBOR-INIZCTEOSA-N 460.604 2.090 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cc(C)ccc2OC(F)F)CC1 1359044821 PJBHHPSRDKVCST-GOSISDBHSA-N 486.523 2.153 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CCCCn2ccnc2C)CC1 1359046551 WISMLBFWRWTACC-UHFFFAOYSA-N 460.586 2.215 30 10 JEEE C=C(Br)Cn1c(Cc2cccnc2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1359085294 ILMRSJQHLRIYFK-OXJNMPFZSA-N 488.434 2.161 30 10 JEEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(=O)CCc2ccccc2)CC1 1359117047 AKILGXCZJBBWRE-LJQANCHMSA-N 474.631 2.136 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCOC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1359256402 DYTNBTTYBOXGCX-SFTDATJTSA-N 470.599 2.128 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1NC(=O)CC1(C)C 1359259936 NDZGNMGWQOEAEH-QAPCUYQASA-N 478.594 2.135 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(c2c(F)cccc2OC)CC1 1359302629 NYWKRSJCEYPBNY-UHFFFAOYSA-N 465.533 2.040 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1359329589 ODMJIXHHXRCWCZ-MSOLQXFVSA-N 475.615 2.236 30 10 JEEE COc1cc(CNC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)cc(Cl)c1OC 1457373356 DHCJFNAFYZHURY-GFCCVEGCSA-N 451.932 2.491 30 10 JEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H]3CCN(c4ccccc4F)C3)CC2)cc1 1460634636 AHLQPXODVOOHDM-IBGZPJMESA-N 456.543 2.493 30 10 JEEE Cc1cc(NC(=O)NCc2cn(C)nc2-c2ccc(C#N)cc2)n([C@@H]2CCS(=O)(=O)C2)n1 1465064352 DIEDJAKTPDUYTP-GOSISDBHSA-N 453.528 2.145 30 10 JEEE CC(C)(C)OC(=O)N[C@H](Cc1ccccn1)C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N 1465696418 GJNKZCOMNQNVGR-QZTJIDSGSA-N 459.547 2.489 30 10 JEEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2Cc2nccs2)c1 1503408104 AWMMFNJDIYYYAF-LJQANCHMSA-N 461.548 2.142 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC1(O)CCS(=O)(=O)CC1 1507514943 FMCWKGTUYYIANE-HOTGVXAUSA-N 466.991 2.469 30 10 JEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC[S@@](=O)C(C)(C)C 1507617480 UQLZFOIGUVSJRQ-RKXCMPKHSA-N 453.609 2.203 30 10 JEEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCCCC(F)(F)C1)[C@@H]1CCS(=O)(=O)C1 1507631828 GQABJLIPXIRJNU-BBWFWOEESA-N 469.558 2.072 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@@H]1CCOC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1507641236 ZUUGJYIYSPZYKR-CEXWTWQISA-N 476.574 2.296 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC[C@@H]1COCCO1 1507650331 IAUYHYKKSOQUST-WOJBJXKFSA-N 457.575 2.271 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H](C)CN(C)C(=O)OC(C)(C)C)CC1 1507719022 JXSUUCVUUBGFSX-NBGIEHNGSA-N 490.649 2.188 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCN2CCCS2(=O)=O)CC1 1507721690 SGSYXWTYFMWQMV-UHFFFAOYSA-N 483.425 2.043 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CCN2CCN(C)C(C)(C)C2)CC1 1507723169 YKMKEDLDEPVBBB-UHFFFAOYSA-N 495.672 2.134 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](CC)Oc2ccccc2F)CC1 1507733307 SZYGQXPSFBEMON-HXUWFJFHSA-N 496.587 2.477 30 10 JEEE C#CCSCCn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1507752689 CCMXUJHYTSPYBA-JOCHJYFZSA-N 466.655 2.287 30 10 JEEE C=C(Br)Cn1c(N2CCC(CC(=O)NC)CC2)nnc1[C@]1(OCC)CCOC1 1507792030 DBISNHCXYNUFJF-IBGZPJMESA-N 456.385 2.191 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1507804062 JPQHCRCNPNQABU-QFUCXCTJSA-N 459.978 2.455 30 10 JEEE C=C(C)CN(CC)c1nnc(CN2CCCC2=O)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1507822168 PVSPETHYFMRVKV-OALUTQOASA-N 458.586 2.149 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@@](C)(C(=O)NC)C1 1508071935 BSCVCGDSHQVROP-HOYKHHGWSA-N 454.575 2.300 30 10 JEEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1508095903 ZFIJKYUHHRKAFN-UHFFFAOYSA-N 464.530 2.312 30 10 JEEE CC[C@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](Cn2cccn2)C1 1513168928 FVAOSIRADGZTIM-RXVVDRJESA-N 462.558 2.223 30 10 JEEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)N(CC)CC)C1 1516020667 AFYZKWZRXNEIDL-YLJYHZDGSA-N 459.620 2.065 30 10 JEEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2nnc(Cc3ccc(C(F)(F)F)cc3)s2)C1=O 1529029230 ORVRVRVRVYZBCQ-UHFFFAOYSA-N 453.402 2.063 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@H](C)c1nc(C)cs1)[C@H]1CCS(=O)(=O)C1 1539203174 NZAXUDVYCVBXCY-YJBOKZPZSA-N 492.671 2.392 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1CC(C)(C)CCOC)[C@@H]1CCS(=O)(=O)C1 1539210951 IIMHPRGNFSCRJH-LJQANCHMSA-N 488.610 2.406 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2OC)n1CCN1CCN(C)C(C)(C)C1 1539319875 JRVBUFHAJNIXFG-UHFFFAOYSA-N 464.614 2.451 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CCc2ccc(OCCN(C)C)cc2)CC1 1539447905 YSJQAEAQTGWBCY-QHCPKHFHSA-N 466.630 2.110 30 10 JEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(F)c(OC)c2)CC1 1539758156 HSIBKECOMSWNAK-UHFFFAOYSA-N 472.565 2.468 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](c2cccs2)N(C)C)CC1 1539847197 BHLHLNCEUCYMPW-ROUUACIJSA-N 480.660 2.132 30 10 JEEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](O)(c2ccccc2F)C1 1539953026 NPYONHHBNNZCRG-KKSFZXQISA-N 451.568 2.482 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2c[nH]c3ccccc23)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1540904721 PLMIRCNJNDMDJI-IBGZPJMESA-N 484.626 2.256 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 1540907727 GKWDYXAQOUXIBT-PKOBYXMFSA-N 467.636 2.108 30 10 JEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN[C@H](c2ccc(O)cc2)C1 1557764095 FBRNFGWQRPRACS-PMACEKPBSA-N 456.568 2.019 30 10 JEEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN(Cc2cc(C)ccc2OC)CC1 1587879565 WAPMLTFDXBLHTM-UHFFFAOYSA-N 450.587 2.453 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCCCCCO)[C@@H]1CCS(=O)(=O)C1 1588041608 YMXDJHRLFKXBFH-QGZVFWFLSA-N 451.980 2.173 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1CCc1sc(C)nc1C)[C@H]1CCS(=O)(=O)C1 1588051130 ZVKIKSNDLVEOTQ-SFHVURJKSA-N 456.597 2.283 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccnc1 1588550573 VCRBMMIURYPOEH-JOCHJYFZSA-N 498.584 2.028 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](CC)N1CCc2ccccc2C1 1588646105 GTKWTZZXBSQTNJ-GOTSBHOMSA-N 485.654 2.103 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccccc1Cl)N(C)C 1588647654 XJVWWDDVALALJG-FXAWDEMLSA-N 480.034 2.223 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1588741550 DTLFJHCKDUZSJL-PXNSSMCTSA-N 454.550 2.227 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H](C)N2CCC[C@H](C)C2)CC1 1588864733 JNZMYXLYFSWAPA-PMACEKPBSA-N 469.659 2.145 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccnc(SCC)c2)CC1 1588929522 BZZWVBMHCVXIGI-LJQANCHMSA-N 454.600 2.303 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCC2CCN(CC)CC2)CC1 1594241484 RPLRKQIWELKFAT-NRFANRHFSA-N 480.679 2.135 30 10 JEEE C=CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1594943644 VLLBWDVREGSVFS-QGZVFWFLSA-N 485.614 2.140 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1595776499 AWPRPTHIEMDLBY-HXUWFJFHSA-N 468.583 2.009 30 10 JEEE C[C@H](CNC(=O)OC(C)(C)C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CCC#N)CC1CC1 1611627062 BXLWIXAZKLBRAV-SJLPKXTDSA-N 480.635 2.471 30 10 JEEE Cc1nc(N2CCOCC2)sc1-c1nnc(N2CCC(C#N)CC2)n1CCNC(=O)C(C)(C)C 1611847778 CVZLGHGDONBXSH-UHFFFAOYSA-N 486.646 2.449 30 10 JEEE C[C@H]1C[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(NS(C)(=O)=O)CC2)CCO1 1612686065 AMVVWRHSLMTCSU-WMZOPIPTSA-N 458.588 2.150 30 10 JEEE CC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCOC(C)(C)C2)CCO1 1614261446 CBNYGOXSEGSKFZ-FQEVSTJZSA-N 454.575 2.455 30 10 JEEE C#CCC1(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)c2)CCOCC1 1616762123 HCAYOOHKBUKCBF-HOTGVXAUSA-N 454.976 2.440 30 10 JEEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(C(=O)N(C)C3CCOCC3)cc2)cc1 1629791707 NFLDSYFKHYALLY-UHFFFAOYSA-N 455.536 2.101 30 10 JEEE C#C[C@@H](C)N(C)C(=O)CCNS(=O)(=O)c1cc(Br)ccc1Br 1639772719 SKTURLUIAXRXHF-SNVBAGLBSA-N 452.168 2.360 30 10 JEEE C#CCOc1cc(F)ccc1NC(=O)N1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1 1667563010 IWOUEFCKPZXHGL-UHFFFAOYSA-N 452.552 2.497 30 10 JEEE Cc1nsc(N2CCN(C(=O)N[C@H](C)CN3CCN(c4ccccc4)CC3)CC2)c1C#N 1677940761 GCOFTLQQLIRMCP-GOSISDBHSA-N 453.616 2.366 30 10 JEEE C#CC[C@@H](CCOC)NC(=O)N1CCN(C(=O)COc2ccc(Br)cc2)CC1 1684426243 VGXCLDFLDBNGEB-KRWDZBQOSA-N 452.349 2.110 30 10 JEEE C#CCN(c1nnc(C(C)C)n1C[C@H](c1ccccc1)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1689980402 QZXILAHKSNCQBQ-FCHUYYIVSA-N 471.627 2.102 30 10 JEEE C#CCN(c1nnc(CC)n1Cc1cccc(NC(=O)C2CCC2)c1)[C@@H]1CCS(=O)(=O)C1 1689993074 VCSQGKJTQNGNID-HXUWFJFHSA-N 455.584 2.254 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCOC[C@H]1CCCO1 1690043542 DZNQQYJJSHREHB-HXUWFJFHSA-N 474.565 2.241 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCOC2)n1C[C@@H]1C[C@@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1690046753 GOANWDFXEISWQW-MXEMCNAFSA-N 469.586 2.269 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCS(C)(=O)=O 1690075700 RNUMUXCMKZHCPC-KRWDZBQOSA-N 453.609 2.287 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCCN1CCC[C@@H](C)C1 1690189969 HTQATFXOCJFZMR-WOIUINJBSA-N 450.653 2.393 30 10 JEEE C=C(Br)Cn1c(N2CCN3C(=O)N(CC(C)C)C[C@@H]3C2)nnc1[C@]1(OCC)CCOC1 1690234548 IAHXMQLDMJFYKB-UWJYYQICSA-N 497.438 2.421 30 10 JEEE C=C(C)COCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C 1690299358 PBIOGBWLQCPBDS-INIZCTEOSA-N 460.966 2.121 30 10 JEEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1690511065 OJXGNEMXCYWTMN-UHFFFAOYSA-N 458.607 2.222 30 10 JEEE C=CCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCO[C@H](COC(C)C)C1 1690648293 VWGPDUJLFAOEEF-QHCPKHFHSA-N 454.619 2.459 30 10 JEEE C=CCOc1ccc(Cn2c(-c3cnccn3)nnc2N2CCC(CNS(C)(=O)=O)CC2)cc1 1690679262 PGCXYYNUYIJPNQ-UHFFFAOYSA-N 483.598 2.114 30 10 JEEE CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCC[C@H](O)C1)[C@@H]1CCS(=O)(=O)C1 1695566942 ASNOIXCLOVQRDW-AQNXPRMDSA-N 473.599 2.293 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)c1 1705506648 DHWWLQWOVHLSGA-VHXPQNKSSA-N 489.580 2.449 30 10 JEEE C#CCN(C)c1nnc(COc2ccc(Br)cc2)n1CCN/C(O)=C1\N=CC=CC1=O 1705557100 XOJPGBZGTQBITB-FMQUCBEESA-N 485.342 2.215 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H]2CCSC2)CC1 1705632313 MCZAOOIZVQNCMB-SFHVURJKSA-N 459.019 2.370 30 10 JEEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2Cc2ccc(N(C)C)nc2)CC1 1705641895 YHLCWUALVACUHV-UHFFFAOYSA-N 459.598 2.336 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc4cccnc34)n2CCC(=O)NC(C)C)CC1 1705646327 WKPPHYDFTYBQMI-UHFFFAOYSA-N 473.581 2.374 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1705649011 HDNFKSXSFVYYPL-IBGZPJMESA-N 466.561 2.309 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 1705693083 BJKKQFURFHVXMG-PZJWPPBQSA-N 484.576 2.499 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccn2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1705704385 SSSPTLSCMQOMOY-YLJYHZDGSA-N 460.604 2.182 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CC(=O)NCC(F)(F)F 1705856867 JJELIBUVKXABFM-INIZCTEOSA-N 466.464 2.109 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1ccco1 1705868236 GPDRZOPSQBREJD-MRXNPFEDSA-N 475.596 2.457 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1705899131 ITUOMKZUWIVXKE-SJORKVTESA-N 473.375 2.257 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1705930956 ADJPBLJMKHLEDE-LJQANCHMSA-N 476.990 2.301 30 10 JEEE CCN(CC)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1710041471 HRUXOVKXVDXPRM-HXUWFJFHSA-N 485.658 2.409 30 10 JEEE COc1ccc(-c2nnc(N(CCC#N)CC3CC3)n2CC2(O)CCS(=O)(=O)CC2)cc1OC 1711741301 DUHDZQBXVXBJIL-UHFFFAOYSA-N 489.598 2.032 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2CCCN2CCCO[C@H](C)C2)c1 1722309254 MCZQKPYGYJALAE-HXUWFJFHSA-N 488.596 2.292 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1Cc1ccc(OC)nc1)[C@H]1CCS(=O)(=O)C1 1722361626 ILLFMDPMBBXCER-IBGZPJMESA-N 497.577 2.041 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1cc(F)ccc1F)[C@@H]1CCS(=O)(=O)C1 1722368582 TTZOTAQQUHGHLP-CRAIPNDOSA-N 450.511 2.125 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCCNc1ccccn1)[C@H]1CCS(=O)(=O)C1 1722368874 UDVARSHVFITCAI-IBGZPJMESA-N 465.583 2.172 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccc(F)cc2)n1CC1(NC(=O)OC(C)(C)C)COC1 1722386397 WXLOXDIZXXQKJC-UHFFFAOYSA-N 469.517 2.363 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNc1ncc(Cl)cc1Cl 1722397062 MKOCGUOXYYJOMS-HNNXBMFYSA-N 481.409 2.457 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H](C(C)C)N1CCOCC1 1722432992 WPMWTCBAFHUCQA-JOCHJYFZSA-N 477.613 2.491 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2Cc2cccnc2OCC(F)(F)F)CC1 1722441261 PAPRIOPTUGJFCU-QGZVFWFLSA-N 450.465 2.269 30 10 JEEE C=C(C)Cn1c(-c2cccnc2)nnc1N1C[C@@H]2[C@H](C1)[C@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1722522672 JWDCQGWBQAQMFD-KZNAEPCWSA-N 474.587 2.043 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1722537428 OBPXAQTUZDLXNP-RTBURBONSA-N 452.563 2.142 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)ccc2C)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1722731944 SFXSGHAZEIJOQC-HSZRJFAPSA-N 489.598 2.106 30 10 JEEE CC(=O)N1CCN(CCn2c([C@H](C)Oc3ccccc3F)nnc2N(C)C[C@@H](C)C#N)CC1 1722795348 HRJFKZXNBVLQPV-ROUUACIJSA-N 457.554 2.317 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C)N2CCC[C@@H](C)C2)c1 1740561787 BRKFZWUOKARFDH-KNKQGSTJSA-N 477.613 2.406 30 10 JEEE C#CCN(C)c1nnc(Cc2c(F)cccc2F)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1740611712 PMAHKUUCPJUCLG-UZLBHIALSA-N 463.554 2.421 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1C[C@H](c1ccccc1)N1CCOCC1 1740684873 DHPHHIFSUQPSHC-XZOQPEGZSA-N 453.587 2.332 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1OC(F)(F)F 1740686346 QVZCYSXSAILHRD-INIZCTEOSA-N 472.489 2.213 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Cl)n2C[C@H]2NC(=O)CC2(C)C)CC1 1740704778 XMVXNEHPYZDWRQ-LJQANCHMSA-N 468.989 2.479 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N(C)CCS(C)(=O)=O 1740753885 OYBLTNGOLCSKAP-JXFKEZNVSA-N 464.588 2.424 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC(S(=O)(=O)CC)CC1 1740964603 RJXPWLZIRSWBFG-UHFFFAOYSA-N 475.615 2.180 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CC[C@](C)(C(N)=O)C2)cc1 1740964992 BWZTVTBXYVPUJK-DEOSSOPVSA-N 461.526 2.240 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@H](C)[C@H](C)C1 1740988714 NLZFPRPFFFRYCV-DLBZAZTESA-N 456.576 2.004 30 10 JEEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(N2CCCC2=O)CC1 1740996047 DZDHXSHYPUIMMQ-UHFFFAOYSA-N 455.588 2.436 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2C[C@H]2CCOC[C@H]2OC)c1 1748694926 URVVFKCCARZKSO-FYYLOGMGSA-N 474.565 2.372 30 10 JEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)O[C@@H](c2ccccc2)C1 1748717693 GEJULENBIGCUMC-NNWRFLSQSA-N 487.626 2.381 30 10 JEEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCNS(=O)(=O)c1ccccc1 1748802329 CXOWAWQBECUWCU-HDICACEKSA-N 488.614 2.097 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@](C)(O)CCC(C)C)[C@H]1CCS(=O)(=O)C1 1748811051 AQZTWNAPVWHJPJ-WMZHIEFXSA-N 459.616 2.462 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1CC1CCN(CC(F)(F)F)CC1)[C@@H]1CCS(=O)(=O)C1 1748817540 LYZMBPLHYCSMPQ-GOSISDBHSA-N 475.581 2.378 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@](C)(OC)C1CC1 1748882366 PPJDJLWQZQNJDB-DEOSSOPVSA-N 469.611 2.473 30 10 JEEE C#CCSCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCO[C@H](COC)C1 1749032494 JJALHJZRFFUMCE-SFHVURJKSA-N 482.610 2.454 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)CC)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1749118690 IOCZEYAYGMGJJB-AQNXPRMDSA-N 458.607 2.044 30 10 JEEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C1CCN(C(=O)c2ccccc2)CC1 1749170218 HRJWLKSCXCZETN-QGZVFWFLSA-N 460.604 2.205 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2(CCC)CCC2)C1 1749712907 NAKVZRVCDLHIJZ-RTBURBONSA-N 467.636 2.363 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)CC(F)(F)F 1749721573 OCOWGEXHIISESG-UHFFFAOYSA-N 479.912 2.461 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)C1CCC1 1749730776 QDFWJLSWXSPOGR-UHFFFAOYSA-N 456.572 2.264 30 10 JEEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1C1CCC1 1749756130 SUCOEAMPEQRTIQ-MSOLQXFVSA-N 455.650 2.299 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CC[C@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1760182394 FGUAPVQQXGIHAQ-LEWJYISDSA-N 453.568 2.403 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccc(C)cc1SC)[C@H]1CCS(=O)(=O)C1 1760183285 PYIMOSJRHOHKHS-SFHVURJKSA-N 475.640 2.122 30 10 JEEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 1760197063 WAUREXRXLVNZPQ-NVQXNPDNSA-N 477.565 2.169 30 10 JEEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(N2CCSCC2)CCCCC1 1760225728 XEOVPXQORWEFKG-GOSISDBHSA-N 468.693 2.100 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CN(CC(C)C)CCO1 1760240930 IJXNKPUXFIRQFS-VXKWHMMOSA-N 468.577 2.365 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(F)ccc2Br)n1CC1(C(N)=O)CCOCC1 1760245097 QXHIAYFHVPCLJF-UHFFFAOYSA-N 494.365 2.215 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2CCN(CCC)CC2)CC1 1760265045 MAOBRDPNRBSULI-UHFFFAOYSA-N 492.628 2.013 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2CCCNC(=O)C2CCC2)CC1 1760267011 QZFRKXCXTZMVGO-UHFFFAOYSA-N 478.597 2.226 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2CC2CCN(C(C)=O)CC2)CC1 1760268580 VBFLNJIEJRKNQC-UHFFFAOYSA-N 478.597 2.178 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H](C)NC(=O)OC(C)(C)C)CC1 1760269414 HTDLXHQDMHNWRE-MJGOQNOKSA-N 474.606 2.051 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCS(=O)(=O)CC=C 1760287986 LZDJEWUMHFOYDE-JOCHJYFZSA-N 476.002 2.454 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCC(C)(C)COC 1760295061 MRBWIFZVNUFCCM-XMSQKQJNSA-N 467.636 2.056 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C(N)=O)CC1 1760324580 LFLJJRQOZUHSIX-KNQAVFIVSA-N 450.543 2.412 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 1760356910 ZLGAVBQPFHYMOR-LPHOPBHVSA-N 461.588 2.423 30 10 JEEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1760434152 RYBJONGMOSSCAP-UHFFFAOYSA-N 481.644 2.175 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCc2cc(OC)ccc21 1760465022 VEOSQZBSDVENOJ-RXVVDRJESA-N 475.615 2.362 30 10 JEEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCS2)C1 1767264360 HGHYGHMDBXETAJ-RBUKOAKNSA-N 476.628 2.142 30 10 JEEE COc1cccc(C2(Cn3c([C@H]4CN(S(C)(=O)=O)CCO4)nnc3N(C)[C@@H](C)CC#N)CC2)c1 1768766884 FKLJECBFDNVFFJ-FXAWDEMLSA-N 488.614 2.090 30 10 JEEE C#CCOC(=O)NS(=O)(=O)c1ccc(CCNC(=O)COc2ccccc2Cl)cc1 1859010982 JZUAKKAWDFXOII-UHFFFAOYSA-N 450.900 2.126 30 10 JEEE COc1cc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2CCO)cc(Br)c1O 1862570751 OQHQUDOCAAIGMR-MRXNPFEDSA-N 463.284 2.316 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)COc2cn(CCc3cnc[nH]3)c(C)cc2=O)nc1C 1870087631 AVAQGCLYBMNKFS-UHFFFAOYSA-N 457.512 2.248 30 10 JEEE C=CCn1c(C(=O)NCCc2ccc(OCC)c(OCC)c2)cc2c(N(CCO)CCO)ncnc21 1873595166 RLHZJXCQNDSMAE-UHFFFAOYSA-N 497.596 2.178 30 10 JEEE COc1ccc(C(=O)N2CCC(OCC#CCN3CCN(C(C)C)CC3)CC2)c(OC)c1OC 1890409424 HPYCQXLGLYHAIT-UHFFFAOYSA-N 473.614 2.363 30 10 JEEE CCN1CCN(CC#CCOC2CCN(C(=O)c3cc(F)c(F)c(OC)c3F)CC2)CC1 1890735192 IAJJSBPSXPFYCB-UHFFFAOYSA-N 453.505 2.375 30 10 JEEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H]1C(=O)N1CCC[C@H](COc2cc(C#N)ccn2)C1 1892001477 RDIOHIDWYPTHCZ-RBUKOAKNSA-N 473.555 2.029 30 10 JEEE Cc1nc(I)c(I)n1-c1ncc(C#N)cc1N 1941542027 AQRAZHGZQJLNOX-UHFFFAOYSA-N 451.009 2.239 30 10 JEEE Cc1ccc(C(N)=NO)c(-n2c(C)nc(I)c2I)n1 2088985224 KQKZHSAHSAKAGY-UHFFFAOYSA-N 483.051 2.188 30 10 JEEE COCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2124524074 NWGZHOYRVHZNQT-HNNXBMFYSA-N 450.345 2.034 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CCC(N)=O)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2206159033 DYVOKZRKSLIFON-INIZCTEOSA-N 465.331 2.222 30 10 JEEE CC1(C)OB(c2ccc(S(=O)(=O)NCCNC(=O)OCc3ccccc3)cc2)OC1(C)C 2243412856 VDQQWIIJZNRLFS-UHFFFAOYSA-N 460.361 2.191 30 10 JEEE CC(C)(C)OC(=O)N1CC(CNS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2247953110 RXFBNWGAMXDLMB-UHFFFAOYSA-N 458.411 2.193 30 10 JEEE C=C(CS(=O)(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1)B1OC(C)(C)C(C)(C)O1 2255795353 GDJVWQIYPZEIHM-FQEVSTJZSA-N 450.410 2.385 30 10 JEEE C=C(CS(=O)(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CCCO1)B1OC(C)(C)C(C)(C)O1 2255954540 AFTRTTNPHLPIHI-MRXNPFEDSA-N 460.402 2.119 30 10 JEEE Cc1cc(CNC(=O)[C@@H](O)[C@@H](C)NC(=O)OC(C)(C)C)sc1B1OC(C)(C)C(C)(C)O1 2256626233 HMTGSXIBCSWRKX-HIFRSBDPSA-N 454.398 2.246 30 10 JEEE CC1(C)OB(c2ccc(C(=O)NC[C@@H]3CN(C(=O)OCc4ccccc4)CCO3)nc2)OC1(C)C 2267270552 LUSLMKCVZOVMJB-HXUWFJFHSA-N 481.358 2.148 30 10 JEEE C=C(CS(=O)(=O)N[C@@H]1[C@H](NC(=O)OC(C)(C)C)[C@H]2CCCO[C@H]21)B1OC(C)(C)C(C)(C)O1 2267463911 DLDIPEXFTZDVMS-QBPKDAKJSA-N 472.413 2.164 30 10 JEEE CC(C)(C)OC(=O)N=S1(=O)CC2(CN(C(=O)c3ncsc3B3OC(C)(C)C(C)(C)O3)C2)C1 2267474777 AMMWSLCZGCFIRK-UHFFFAOYSA-N 483.421 2.301 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1CCO 2267598389 ZFETUASLYOBUKN-HNNXBMFYSA-N 466.409 2.491 30 10 JEEE CC1(C)OB(c2cnccc2C(=O)NC[C@]2(O)CCCN(Cc3ccccc3)C2)OC1(C)C 2281805529 AGKNNGMLOOPDOE-RUZDIDTESA-N 451.376 2.138 30 10 JEEE Cn1nc(C(=O)NC2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)cc1B1OC(C)(C)C(C)(C)O1 2281961760 QLZJAQDVIJBTEU-HUUCEWRRSA-N 460.384 2.095 30 10 JEEE CCn1cc(C(=O)N[C@@H]2C[C@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)nc1B1OC(C)(C)C(C)(C)O1 2282045091 TZJSXRJHWUELCP-ZMSDIMECSA-N 460.384 2.330 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](OCCNC(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282190143 OLTAFBPZDFZGGS-GOSISDBHSA-N 461.368 2.137 30 10 JEEE CN(C[C@H]1CCCN(C(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C1)C(=O)OC(C)(C)C 2282551074 ATIDQRCMKKOAJY-MRXNPFEDSA-N 462.400 2.438 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCCC[C@@H](CNC(=O)OC(C)(C)C)C2)n1 2282552718 MHZAKFRGVHQNJF-INIZCTEOSA-N 462.400 2.486 30 10 JEEE Cn1ncc(C(=O)N2C[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)c1B1OC(C)(C)C(C)(C)O1 2282558822 LKIAMTZSUOPIOQ-VQTJNVASSA-N 450.392 2.313 30 10 JEEE Cc1c(C(=O)N2CC3(CC(NC(=O)OC(C)(C)C)C3)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282592702 HCEAMQHRAPWUKF-UHFFFAOYSA-N 460.384 2.157 30 10 JEEE CC(C)(C)OC(=O)N1CCn2[nH]c(=NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)sn3)cc2C1 2282609488 JHWYBVSZAJAHSP-UHFFFAOYSA-N 475.380 2.064 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC2(C(=O)O)CN(C(=O)OC(C)(C)C)C2)c1 2282679463 ABRINAQDKUILMT-UHFFFAOYSA-N 460.336 2.098 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CCc2cccc(B3OC(C)(C)C(C)(C)O3)c21 2283943677 CKWVBGVDBKERRH-AEFFLSMTSA-N 458.364 2.245 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1CCc2cc(B3OC(C)(C)C(C)(C)O3)ccc21 2283946602 PGTOTPFBSBBFNL-IEBWSBKVSA-N 458.364 2.245 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H]1C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2285182475 KGEYYWMDXQCNSQ-FUHWJXTLSA-N 464.343 2.111 30 10 JEEE CC(C)(C)OC(=O)NCCN(Cc1ccccc1)C[C@@H](O)C#CC1(S(C)(=O)=O)CCC1 2302956236 XCBOWOBNSSUIOM-FQEVSTJZSA-N 450.601 2.345 30 10 JEEE COCCCN1C(=O)C(=Cc2c(C)c(C#N)c(=O)n(C)c2N2C[C@@H](C)O[C@H](C)C2)SC1=S 2314425898 AJHNPQJNSVYZCG-ZIAGYGMSSA-N 476.624 2.417 30 10 JEEE COc1ccc(N2C[C@H](c3nnc(SCCO)n3N=Cc3ccccc3C(=O)O)CC2=O)cc1 2325882280 YWTOLSNWYLAJQL-MRXNPFEDSA-N 481.534 2.472 30 10 JEEE COc1ccc(OC[C@@H](O)Cn2c(NN=Cc3ccccc3Cl)nc3c2c(O)nc(=O)n3C)cc1 2327751586 MTPNYNQMXOMJSW-HNNXBMFYSA-N 498.927 2.384 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1[C@H]2C[C@@H](CN(C(=O)[C@@H]3C[C@H]3B3OC(C)(C)C(C)(C)O3)C2)[C@@H]1CO 2334272005 PNSBXJIUVZODAZ-SOMFZHDCSA-N 450.385 2.449 30 10 JEEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@H](CCO)COCc3ccccc3)cc2F)OC1(C)C 2369618877 OVIVLJNEIABWCG-GOSISDBHSA-N 479.379 2.371 30 10 JEEE COc1cc(NC(=O)c2cccc(/N=C3/N[C@@H]4CS(=O)(=O)C[C@@H]4S3)c2)cc(OC)c1OC 9860323 UKIXELQKAJFERU-QAPCUYQASA-N 477.564 2.454 30 10 JEEE COc1cc(/C=N/Nc2nnc(SCC(=O)N3CCc4ccccc4C3)n2N)cc(OC)c1OC 20920350 LPHFGZKORRQUEP-BRJLIKDPSA-N 497.581 2.141 30 10 JEEE C#CCNC(=O)c1ccc2oc(N3CCN(S(=O)(=O)c4ccc(Cl)s4)CC3)nc2c1 247975815 FKCOWXHBWSMBTJ-UHFFFAOYSA-N 464.956 2.417 30 10 JEEE COC(=O)c1scc(S(=O)(=O)Cc2ccco2)c1NN=C(C#N)S(=O)(=O)C(C)C 254556834 QRCIZARRBXDNFN-UHFFFAOYSA-N 459.527 2.174 30 10 JEEE CCC(CC)NC(=O)[C@@H]1CN(C(=O)C(=O)NCc2ccc(C#N)cc2F)c2ccccc2O1 609255783 LGFRFNCCRBWTLD-NRFANRHFSA-N 452.486 2.413 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1ccc(S(=O)(=O)C[C@@H]2CCCO2)cc1 609438396 MSIKRRZKQLHQKV-NRFANRHFSA-N 485.562 2.125 30 10 JEEE C#CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CC(=O)N(C)C)CC1 1286336263 WPTBGELILMRYCI-FQEVSTJZSA-N 487.649 2.364 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCCN(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1286387165 BBNAUGUYNWSJRC-FQEVSTJZSA-N 459.616 2.311 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@](C)(O)c1ccco1 1286426557 ZGKDMILTQMPBPR-VWLOTQADSA-N 456.506 2.156 30 10 JEEE C#CCN(CCOC)c1nnc(Cc2ccccn2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1286466820 NVJNKLMWZPXNAX-FQEVSTJZSA-N 461.570 2.018 30 10 JEEE C#CCSCCn1c(Cc2ccc(F)cc2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1286506677 ZLPISZSCPGWZBA-AUSIDOKSSA-N 484.645 2.363 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1286566109 MBYFIIRGCYWNIS-HTAPYJJXSA-N 470.574 2.338 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@]1(C)CN(C)C1=O 1286570262 RLDWNVQXHXMORS-QFIPXVFZSA-N 459.620 2.427 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(O)(Cc2ccc(F)cc2)CC1 1286608226 NSWZSAWEKRSEMF-FQEVSTJZSA-N 492.617 2.486 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1286628272 DMWBIWDRWJZJEZ-JENIJYKNSA-N 451.015 2.161 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 1286628696 FFKNZCGMPKKDAG-HUUCEWRRSA-N 460.000 2.378 30 10 JEEE CCCN(C)C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2COCCO2)C1 1294469661 DVGIUOXDGXHTQS-UNMCSNQZSA-N 454.575 2.312 30 10 JEEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1300403180 FVAHFCYOWXBGKG-SFHVURJKSA-N 457.604 2.004 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2CC2C[C@@H](C)O[C@H](C)C2)CC1 1300716794 RDNPFQQLPBRHHW-QRVBRYPASA-N 461.607 2.172 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2CCc2nccnc2C)CC1 1300731695 TVQONTFAJIXFAC-UHFFFAOYSA-N 477.544 2.303 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2OCC)n1CC(=O)N1CCOCC1 1300817477 MQRMRAJCCVOGQU-XMMPIXPASA-N 453.543 2.107 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1300935693 XUHZWXBSVTUANS-SFHVURJKSA-N 474.631 2.465 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC[C@@H](c3nc(C)cs3)C2)nnc1[C@@]1(OCC)CCOC1 1301520467 XNLSASVUWQTBEN-VGOFRKELSA-N 460.604 2.381 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)C[C@@H](C)CC 1301586069 PXYQAGFJMYKHTE-INIZCTEOSA-N 458.588 2.275 30 10 JEEE CNC(=O)[C@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCCO[C@H](C)C2)C1 1314965071 ICVSQPOKDIBNSY-KBMIEXCESA-N 465.602 2.280 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccc(OCCN(C)C)cc1)[C@H]1CCS(=O)(=O)C1 1358956015 YNBSCALYAPZJEI-FQEVSTJZSA-N 473.643 2.191 30 10 JEEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1358956445 FZVGEMTXRBBIHE-NZQKXSOJSA-N 476.574 2.133 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1358960224 ZVWSPFSQSCUPMX-CYBMUJFWSA-N 458.462 2.151 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCN2CCCC[C@@H]2CC)CC1 1359031654 KHRCUXSQQVETTA-QFIPXVFZSA-N 484.670 2.368 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCc2ncc(CC)s2)CC1 1359046639 AEJYKXXKWZURSI-UHFFFAOYSA-N 480.642 2.367 30 10 JEEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ncccc2C#N)CC1 1359076128 RPNLALIWDQCHRE-UHFFFAOYSA-N 471.363 2.016 30 10 JEEE C=C(C)COCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1359129586 GTROGPMBHPVERK-OAQYLSRUSA-N 498.584 2.322 30 10 JEEE C=C1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1359160724 BDKHPFMSRWJCKJ-LJQANCHMSA-N 467.389 2.414 30 10 JEEE C[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)CC#N)N(C)C(=O)OC(C)(C)C 1360562691 CKYNLFZVUCNZKN-OAGGEKHMSA-N 454.597 2.174 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CCCN1CCCC[C@@H]1C 1360677747 GLVNPXVDQHQPOX-ROUUACIJSA-N 451.641 2.283 30 10 JEEE C#C[C@H](NC(=O)c1ccc(NC(=O)C[C@H]2SC(N3CCCC3)=NC2=O)cc1)[C@@H]1CCCO1 1448020051 JWZUREQOFSACTR-GBESFXJTSA-N 454.552 2.020 30 10 JEEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCN(C)c2ccccc2F)CCOC1 1502727715 CCKBZQWVLXRKML-FDDCHVKYSA-N 458.538 2.325 30 10 JEEE CN(C[C@@H]1CCCCO1)c1nnc(COc2ccc(C#N)cc2)n1CC1(C(N)=O)CCOCC1 1503542728 HNUSUXMYYZFKAB-FQEVSTJZSA-N 468.558 2.016 30 10 JEEE C#CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCN(CC)S(C)(=O)=O 1507612853 WSCBOHSKHZHEFB-SFHVURJKSA-N 482.651 2.134 30 10 JEEE C#CCN(c1nnc(-c2cc(C)nc3ccccc23)n1C[C@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1507627661 SYSSPMORWNAMMS-RBUKOAKNSA-N 466.611 2.379 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1CCCCCOC)[C@@H]1CCS(=O)(=O)C1 1507628284 WGLLEYDHQKQRIM-QGZVFWFLSA-N 498.447 2.490 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@@H](C)N(C)C1CC1)[C@@H]1CCS(=O)(=O)C1 1507634107 LCUCLBQEEUFZDK-DENIHFKCSA-N 455.628 2.287 30 10 JEEE C#CCN(c1nnc(CSc2ccc(C)cc2)n1CC[S@@](=O)CC)[C@H]1CCS(=O)(=O)C1 1507638410 QMBDPIPLZGHVOM-PBYQXAPXSA-N 480.681 2.274 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnccn2)n1C[C@H]1CC(=O)N(CCOC)C1 1507699611 HHWLHSBTQUOICD-IBGZPJMESA-N 463.517 2.009 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CC(CC)(CC)NC(=O)OC(C)(C)C)CC1 1507716163 NFNWSUAFZKNBNZ-UHFFFAOYSA-N 487.649 2.353 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@](C)(O)c2cccc(Cl)c2)CC1 1507718353 CNZFGEUULYNHEY-ZEQRLZLVSA-N 474.005 2.247 30 10 JEEE C#CCSCCn1c(-c2cc(C)nc3ccccc23)nnc1N(C)CCNS(C)(=O)=O 1507743920 FNJFVUZFHTZICO-UHFFFAOYSA-N 458.613 2.154 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2OC)CC1 1507844364 IQLSIKOLSWKGDD-LJQANCHMSA-N 475.615 2.108 30 10 JEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CCCC2)CC1 1507935869 VMYWMONNVYSDDK-FQEVSTJZSA-N 466.652 2.032 30 10 JEEE C=CCNC(=O)Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1508093556 CKVRQTVVUPEBKQ-DEOSSOPVSA-N 487.004 2.413 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCC(CNC(C)=O)CC1 1508137250 LTXPCMVCDQVCAJ-UHFFFAOYSA-N 484.626 2.390 30 10 JEEE C[C@@]1(C#N)CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCN2CCCCCC2=O)C1 1510290463 HLEYRNWQHMOKLW-GCJKJVERSA-N 462.620 2.103 30 10 JEEE C[C@H]1OCC[C@@]1(O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC(C#N)CC1 1512573196 BTLNQMNCSQUVNI-IVZQSRNASA-N 458.950 2.141 30 10 JEEE CC(=O)N1CCc2c(sc(NC(=O)c3cccnc3S(=O)(=O)C(F)(F)F)c2C#N)C1 1529939581 XZEZLRCPMLEQAS-UHFFFAOYSA-N 458.443 2.465 30 10 JEEE C#CCN(c1nnc([C@@H](C)CC)n1CCNc1nccc(C(F)(F)F)n1)[C@H]1CCS(=O)(=O)C1 1539201992 DMXJVGZRMAEVLU-GJZGRUSLSA-N 485.536 2.339 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC(C)(C)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1539215869 KQLBYORCSHWWMR-MRXNPFEDSA-N 476.603 2.203 30 10 JEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1C[C@@](C)(O)c1ccco1)[C@@H]1CCS(=O)(=O)C1 1539226051 UAWJRWGEYMBXSS-CJFMBICVSA-N 498.605 2.199 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1C[C@@H]1CC=CCO1)[C@@H]1CCS(=O)(=O)C1 1539230969 RUYKCPNBNMHXNE-IRLDBZIGSA-N 470.595 2.446 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCOCC(F)F)CC1 1539447947 ZNXQLJWOADSLIW-SFHVURJKSA-N 482.576 2.430 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCn2cc(Br)cn2)CC1 1539482805 WTPMOFNRHNPDNV-GOSISDBHSA-N 490.406 2.145 30 10 JEEE C#CCSCCn1c(-c2ccc(OC)cc2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1539505340 AUFOJBFPLCFWCA-WMZHIEFXSA-N 482.654 2.309 30 10 JEEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CCC(NS(C)(=O)=O)CC1 1539520443 SBVNTCYOQWCWPJ-UHFFFAOYSA-N 469.583 2.032 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](c2ccnn2C)C1 1539916220 IJXVVWWKDAQBIN-QUCCMNQESA-N 491.662 2.331 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1539917566 FPHKWLLDCQMSJZ-CTNGQTDRSA-N 465.602 2.180 30 10 JEEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1540872228 HKIAHJDBNWQFMT-UHFFFAOYSA-N 493.580 2.387 30 10 JEEE C=CCSCCn1c(COCC)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1540922410 NPUQSYJPIFGWDJ-AZUAARDMSA-N 450.653 2.113 30 10 JEEE CNC(=O)[C@H]1CN(C(=O)NCCOC)CC12CCN(c1ccc(C#N)c(C(F)(F)F)c1)CC2 1548375858 ZPNCOCMSGYQTDU-GOSISDBHSA-N 467.492 2.197 30 10 JEEE COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)C(C)(C)C)C[C@H](C)O1 1555404777 IAWNUALCSZFWRW-FXAWDEMLSA-N 491.614 2.182 30 10 JEEE COCCN1C[C@@H](Cn2c(COc3ccccc3OC)nnc2N2CCC(C#N)CC2)CC1=O 1555573530 BVKWRBOZQFZJSZ-IBGZPJMESA-N 468.558 2.101 30 10 JEEE C#CCN(CC(=O)N(C)[C@@]1(c2ccccc2Cl)CCCCC1=O)[C@@H]1CCS(=O)(=O)C1 1559632921 RNQANYDREUNIAQ-VGOFRKELSA-N 450.988 2.259 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1588029772 LUTNOUQHNWFIAZ-IEBWSBKVSA-N 476.574 2.489 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(F)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1588034970 NVZKSUPAYRMFBY-JPYJTQIMSA-N 494.564 2.272 30 10 JEEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1CCN(C(C)C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1588064889 QQYIAROUDGEZNF-JOCHJYFZSA-N 497.669 2.262 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@H](C)c2nccs2)CC1 1588762883 OWFKPQQUTQAVBB-SFHVURJKSA-N 499.666 2.211 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCn2nc(C)cc2C)CC1 1588961536 CXQRADOQWXLVMH-UHFFFAOYSA-N 477.617 2.009 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCN(C(=O)OCC)CC2)nnc1[C@]1(OCC)CCOC1 1589582192 ZKKKAGYOBNBIMW-MSYCTHLASA-N 463.579 2.190 30 10 JEEE C=C1CCN(c2nnc(-c3ccc(OC)cc3)n2CCS(=O)(=O)N2CCSCC2)CC1 1594071045 XNRIWLFMHYWUQH-UHFFFAOYSA-N 463.629 2.489 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CCN(c2cccnn2)CC1 1595488949 BSBYEXLRAZVSBZ-UHFFFAOYSA-N 483.374 2.126 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@](C)(O)C(C)C)C1 1595687648 BSJLANCGXGSGRI-AUSIDOKSSA-N 477.631 2.384 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 1595812072 MKAQMJZQHRHZBZ-SFHVURJKSA-N 451.637 2.210 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCN(c2ccnc(C)n2)CC1 1595823451 OASBOBDQOZSQEQ-UHFFFAOYSA-N 459.620 2.037 30 10 JEEE CC(C)(C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1596951224 FTVVSUITVUODQT-IBGZPJMESA-N 464.574 2.019 30 10 JEEE C[C@@H](Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@H](C#N)C1)c1nccs1 1611498839 HPFWCTBMBCROLK-DOTOQJQBSA-N 487.611 2.184 30 10 JEEE CCOc1ccc(O[C@@H](C)c2nnc(N3CCO[C@@H](C#N)C3)n2CCC2(O)CCOCC2)cc1 1616415909 CYMSZVBPBYUGFR-RXVVDRJESA-N 471.558 2.477 30 10 JEEE C=CCn1c(SCC(=O)N[C@@H]2CC(=O)N(C)C2=O)nnc1-c1ccc(Cl)cc1Cl 1617825713 XASWTIHVXLJSID-CYBMUJFWSA-N 454.339 2.404 30 10 JEEE C#CCOc1ccc(CNS(=O)(=O)[C@H]2CN(C(=O)OCc3ccccc3)C[C@H]2OC)cc1 1622151962 KAVZIHIEWJWUEJ-YADHBBJMSA-N 458.536 2.154 30 10 JEEE N#Cc1cccc([C@H]2CN(CC(=O)Nc3cccc(S(=O)(=O)N4CCCC4)c3)CCO2)c1 1642583334 BFPPETMLXTWENS-JOCHJYFZSA-N 454.552 2.355 30 10 JEEE C=CCN([C@@H](Cc1ccccc1)C(=O)OCC)S(=O)(=O)c1cccc(S(C)(=O)=O)c1 1661408167 OCCKUVSKMIFSEZ-FQEVSTJZSA-N 451.566 2.441 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCO[C@H](C2CCN(S(=O)(=O)c3ccc(C#N)nc3)CC2)C1 1662493755 FRVJBTAHDYZYRP-LPHOPBHVSA-N 450.561 2.426 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCN1CCCCCC1=O 1689835187 IAPPDFAGIKXQGG-IBGZPJMESA-N 486.642 2.446 30 10 JEEE C#CCCCn1c(COc2ccccc2OCC)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1689940106 NVWSEBYBMVHNAC-QFIPXVFZSA-N 467.570 2.497 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1CC(=C)Br)[C@H]1CCS(=O)(=O)C1 1689983397 AUIVMBCVJWQPKI-HNNXBMFYSA-N 479.356 2.209 30 10 JEEE C#CCSCCn1c(-c2ccc(Br)s2)nnc1N1CCS(=O)(=O)CC1 1690161723 OGBSSAAEHLAYDM-UHFFFAOYSA-N 461.432 2.370 30 10 JEEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1cccc(F)c1)C1CC1 1690175511 YUDCYRBWVOZHLL-HXUWFJFHSA-N 493.630 2.286 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc2cnccc2c1 1690288198 LXGWXTAYRFQEFB-HXUWFJFHSA-N 456.572 2.372 30 10 JEEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1690319785 YMZZJAPCGLTFSC-SFHVURJKSA-N 471.587 2.174 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc(N2CCCC2)cc1 1690655383 RHHPHAWPRJJOQW-UHFFFAOYSA-N 451.575 2.053 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1690662990 IPNGAJGCZVFGMC-GOSISDBHSA-N 467.393 2.034 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1690720794 SHUQCPNKICMDHT-YZZKKUAISA-N 476.599 2.327 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](C)c2nccs2)c1 1705507068 QRJXWSVRAXOGOY-WMZOPIPTSA-N 498.634 2.497 30 10 JEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(O)(Cc2ccc(F)cc2)CC1 1705509931 LUKWNJMLAUQSQH-GOSISDBHSA-N 477.606 2.405 30 10 JEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)c1cccc(O)c1 1705516555 DQDDRXIBKISFKH-YLJYHZDGSA-N 461.588 2.318 30 10 JEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2CCN(Cc3ccccc3)[C@H]21 1705525188 ZZKQGDFXJCPUBJ-VCOUNFBDSA-N 456.616 2.360 30 10 JEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN2CCCC[C@H]2C1 1705525948 AIRSBDSWUIBGPT-FQEVSTJZSA-N 456.616 2.283 30 10 JEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ccc(OCCC)nc1 1705545170 RSRMFKDYHSZUMI-UHFFFAOYSA-N 468.583 2.497 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H](CC)Oc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1705558533 AJLWRSLJVJVFQP-MOPGFXCFSA-N 491.589 2.040 30 10 JEEE C#CCN(c1nnc(C(C)C)n1Cc1cccc(C(=O)NCCC)c1)[C@@H]1CCS(=O)(=O)C1 1705560623 LXQQESPATXUXSD-HXUWFJFHSA-N 457.600 2.216 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@@H](C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 1705563737 DMQWDNRFURPLAF-PMACEKPBSA-N 471.627 2.312 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccccc2F)n1CCCN1C(=O)NC2(CCCC2)C1=O 1705587209 LUVXUXDAXWJGTM-UHFFFAOYSA-N 478.528 2.324 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H](OC)C2CC2)CC1 1705644577 VUCWCYDTGASXNQ-NRFANRHFSA-N 499.015 2.252 30 10 JEEE C=C(Br)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCNC(=O)[C@@H]1CC 1705688801 UYXXFNQLZWPPHL-GJZGRUSLSA-N 499.410 2.210 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1705696076 LJRDEAJLUUSSII-LNLFQRSKSA-N 481.022 2.493 30 10 JEEE C=C(C)COCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1705735588 BGVLWVKTKLPTAX-DLBZAZTESA-N 488.614 2.043 30 10 JEEE C=C(Cl)Cn1c(CC2CC2)nnc1N1C[C@@H]2[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1705757447 LPJXBLQVRDHVFB-OWCLPIDISA-N 472.011 2.110 30 10 JEEE C=CCCCn1c([C@@H]2CCCCO2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1705817326 HQLZIXDLIWGODA-FQEVSTJZSA-N 458.607 2.426 30 10 JEEE C=CCN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1705846647 NMQJBXQWOYYSQR-IAGOWNOFSA-N 478.644 2.096 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@]1(O)CCN(C)C1 1705884534 QWSHVBVAMMNCJI-DVECYGJZSA-N 478.638 2.098 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1705931709 YAHQWGBBZAUMAP-KNQAVFIVSA-N 489.642 2.102 30 10 JEEE CCC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1709441752 BDQHQEGGWDUPEU-RUZDIDTESA-N 474.569 2.188 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1722291349 IZQRSJAQOZKADR-WMLDXEAASA-N 468.480 2.117 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc2c(c1)C(=O)NCC2 1722294431 HAECNNOJJFKNIC-UTKZUKDTSA-N 494.596 2.379 30 10 JEEE C#CCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCS(=O)(=O)CC1 1722325672 MYUHXFFPZPJMGJ-UHFFFAOYSA-N 453.362 2.364 30 10 JEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cccc(CN(C)C)c1 1722350271 RVROTKFKMPDNAA-UHFFFAOYSA-N 451.600 2.418 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1Cc1ccc2c(c1)C(=O)NCC2 1722376458 PICNOWMHLSQOJZ-UHFFFAOYSA-N 477.366 2.453 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@](C)(O)[C@H](C)CC 1722394559 WTNVCUFWDOCASV-JPYJTQIMSA-N 456.616 2.498 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2C[C@@](C)(O)C2CC2)CC1 1722450612 NPFLLHHKBHHDNF-XMMPIXPASA-N 455.534 2.123 30 10 JEEE C#CCSCCn1c(N2CCN(C(=O)NCC)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1722463675 JRYMOPOUNOPYIJ-HDICACEKSA-N 491.662 2.267 30 10 JEEE C=C(C)COCCn1c([C@H]2CCCCO2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1722536891 IOQFDJJARYAKGB-LJQANCHMSA-N 455.625 2.363 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@@H](c2nccs2)C1 1722693382 LWUPSYWVDHATBZ-CQSZACIVSA-N 478.376 2.372 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCN(C(=O)c2ccsc2)CC1 1722700212 AONYHTFITYWOCL-UHFFFAOYSA-N 480.594 2.204 30 10 JEEE CC(=O)NCCN(Cc1ccsc1)c1nnc(-c2cccc(C#N)c2)n1CC(=O)N(C)C 1722860434 DNQXTSMNDJOZHB-UHFFFAOYSA-N 451.556 2.109 30 10 JEEE COC[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCN(C(C)C)CC2)C1 1730580188 AEAGWCNQUNUBEE-OAQYLSRUSA-N 468.602 2.437 30 10 JEEE C#CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1740567077 NSRSAXAMSOALSO-UHFFFAOYSA-N 479.972 2.321 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1CC(C)(C)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1740622072 SZBPMHKUBWEGJS-HXUWFJFHSA-N 456.616 2.231 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1C[C@@H]1C[C@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1740652569 FIRWNVVCNBOCOW-JBACZVJFSA-N 479.585 2.166 30 10 JEEE C#CCN(CC#CC)c1nnc(Cc2ccccn2)n1Cc1ccccc1CN1CC[C@H](O)C1 1740655099 XVCOQRAUWPNLES-VWLOTQADSA-N 454.578 2.342 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)CCN1CCOCC1 1740709195 CNBDLBJEJRETRD-UHFFFAOYSA-N 456.616 2.282 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](c2ccc(OC)cc2)C1 1740782607 WTQGCSXPPFYUCQ-AZUAARDMSA-N 461.588 2.190 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(C)COCCO1 1740920398 CCKJDAVKVWSSAW-GCJKJVERSA-N 464.563 2.317 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1740953473 HHICMCPNGWCJHY-BEFAXECRSA-N 459.547 2.134 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCc1cnccn1 1740969556 RLCNVXZAIQVWOD-LJQANCHMSA-N 468.583 2.262 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCC(n3ccc([N+](=O)[O-])n3)CC2)nnc1C(C)(C)C 1740993771 IKJRFVYQLQULOV-UHFFFAOYSA-N 451.553 2.123 30 10 JEEE Cc1cc(C)n(Cc2nnc(N3CC[C@](F)(C#N)C3)n2CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)n1 1742699006 CJWSGHNIGJMENQ-YDHSSHFGSA-N 458.586 2.470 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCn2ccnc2C1 1748651741 PSCVYIYNPOJFJX-MSOLQXFVSA-N 467.599 2.112 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[C@H]2CCCCO2)c1 1748692065 CQWJHNMWMRMSCP-TZIWHRDSSA-N 485.610 2.196 30 10 JEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc(OC)cc1OC 1748784415 MWONQGVTILLBBL-UHFFFAOYSA-N 454.556 2.373 30 10 JEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1Cc1nnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1748809512 UQJISSSQEPEFTL-MRXNPFEDSA-N 462.988 2.433 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H](c1ccccc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1748811795 LOTWBMOSESILFE-IRLDBZIGSA-N 466.611 2.213 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H](C)N(C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1748812633 YIHDUFFLRHGKPC-UGKGYDQZSA-N 464.595 2.492 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H]1CCCN(C(C)C)C1)[C@H]1CCS(=O)(=O)C1 1748812647 YPHDMEHKQHZGBO-UXHICEINSA-N 456.616 2.087 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCCOc1ccccc1C)[C@H]1CCS(=O)(=O)C1 1748812748 ZRBZOTJFQNKFCL-FQEVSTJZSA-N 468.583 2.083 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1Cc1cnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1748819991 WKLRZMKVBFUUMA-QGZVFWFLSA-N 459.572 2.448 30 10 JEEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1cc(Br)ccc1OC 1748969192 PYDZWRXIROWDLD-UHFFFAOYSA-N 476.375 2.306 30 10 JEEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](c2ccccc2)C1 1749229486 KYLWMONNHQQLOD-RTWAWAEBSA-N 475.615 2.198 30 10 JEEE C=CCN(CC=C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCCCS1(=O)=O 1749573052 KGJKBRHAJLXNEE-QGZVFWFLSA-N 468.583 2.338 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCC[C@H](c2nc(C)no2)C1 1749680776 QVMKAWZPZJNZFC-INIZCTEOSA-N 455.494 2.374 30 10 JEEE C[C@H]1COCCN1CCn1c(COc2ccc(Br)cc2)nnc1N1CCO[C@@H](C#N)C1 1752419895 GSBKGZRNXRFDQS-LPHOPBHVSA-N 491.390 2.069 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CCCN(C(C)=O)C1 1760100731 DOLVOCICAZHOEO-QFBILLFUSA-N 471.631 2.263 30 10 JEEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1C[C@@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1760179716 XQQUVZPWEVZOEY-WPVAHCMFSA-N 475.590 2.096 30 10 JEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CCNC(=O)c1ccco1)[C@@H]1CCS(=O)(=O)C1 1760180950 NKKSFSPIMFEZKD-GOSISDBHSA-N 487.969 2.248 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CC1(CCOC)CC1)[C@@H]1CCS(=O)(=O)C1 1760181037 OOTUUCWMVDKNFV-MRXNPFEDSA-N 496.431 2.479 30 10 JEEE C#CCN(c1nnc(C2CCC2)n1CCCNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1760186399 CFFPKZODTUEDJC-KRWDZBQOSA-N 451.593 2.087 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(=O)N(C)C1CCCCC1 1760197317 SMJTUTMTMMCPEG-UHFFFAOYSA-N 496.637 2.059 30 10 JEEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1C[C@H](C(C)C)N1CCOCC1 1760223853 OLAWKYFRUYWUKB-HXUWFJFHSA-N 468.627 2.089 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(OC)cc2F)CC1 1760401753 BKXPHRZQYGIKCG-HXUWFJFHSA-N 479.578 2.209 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](c2nnc3n2CCC3)C1 1760406368 BSCBDHKPJSUECB-IAGOWNOFSA-N 476.651 2.412 30 10 JEEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2nccc(OCC)n2)CC1 1760420996 AVFUVTNMYYPKIU-UHFFFAOYSA-N 454.579 2.386 30 10 JEEE C=CCN(C)c1nnc(COc2ccc(Br)cc2)n1CCC(=O)N1CCOCC1 1760467185 UWWPNSLWBGJFPP-UHFFFAOYSA-N 464.364 2.491 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[S@](=O)CC 1760480088 KLVWXAYCVIBOOP-HZAQMHFWSA-N 461.613 2.013 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCCN(CC(F)(F)F)CC1 1760517476 NMASUKZJNMVDJC-UHFFFAOYSA-N 452.481 2.330 30 10 JEEE CC(=O)N1CCN(c2nnc(-c3cc(Br)cn3C)n2Cc2ccc(C#N)o2)CC1 1760606300 HXFSVPHZUKGZMG-UHFFFAOYSA-N 458.320 2.228 30 10 JEEE CCN1C[C@@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCOCC2)C[C@@H]1C 1765394813 DCIWOMQDKJKKTJ-LEWJYISDSA-N 467.618 2.370 30 10 JEEE CCN1CCN(C[C@@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](CC(N)=O)C2)CC1 1765552164 DVSVGFUHJDMVEC-IFMALSPDSA-N 478.645 2.182 30 10 JEEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc2c(c1)OCCO2 1862755850 GBQJNGLCNUVOMP-HXUWFJFHSA-N 467.434 2.080 30 10 JEEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1ccc(F)cc1 1865724748 WZBCSXBOGUQLHE-KRWDZBQOSA-N 458.534 2.394 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)N2CCOCC2)cn1CCCCN1CCCC1 1870583074 DAXRKYVZJUCVCP-UHFFFAOYSA-N 472.630 2.136 30 10 JEEE C=CCN=c1nc(N2CCN(Cc3ccccc3)CC2)[nH]c(=Nc2cc(OC)cc(OC)c2)[nH]1 1871688545 DSOXFJDVQYOFEV-UHFFFAOYSA-N 461.570 2.396 30 10 JEEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)NCCc1ccc(S(N)(=O)=O)cc1)n2CC=C 1873595726 OYNOYJLJBOWEDN-UHFFFAOYSA-N 480.594 2.416 30 10 JEEE CC(C)CS(=O)(=O)C1CN(C(=O)[C@@H]2SCC(=O)N(C(C)C)[C@@H]2c2ccc(C#N)cc2)C1 1892106695 JZTOYPOGHBHJKA-NHCUHLMSSA-N 463.625 2.233 30 10 JEEE CC1(C)OB(c2cnc(N3CCSC[C@H]3S(C)(=O)=O)c(Br)c2)OC1(C)C 2172775087 WWUGQLFDCKFMKH-CYBMUJFWSA-N 463.228 2.067 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](c2nc(=NCc3occc3B3OC(C)(C)C(C)(C)O3)[nH][nH]2)C1 2185280329 VYHXPVNZWHSKCA-CQSZACIVSA-N 459.356 2.455 30 10 JEEE Cc1cnc(N2C[C@@H]3CN(C(=O)OC(C)(C)C)[C@H](CO)[C@H]3C2)c(B2OC(C)(C)C(C)(C)O2)c1 2241058283 YIVNXSHIBSCPDY-ZIFCJYIRSA-N 459.396 2.353 30 10 JEEE CC1(C)OB(c2cscc2S(=O)(=O)NC2CN(C(=O)OCc3ccccc3)C2)OC1(C)C 2243416864 NVTFINHJYQNDKX-UHFFFAOYSA-N 478.401 2.347 30 10 JEEE CC(C)(C)OC(=O)NC1(CNS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)CC1 2247882453 OXNAULZVHZEPDM-UHFFFAOYSA-N 458.411 2.383 30 10 JEEE Cn1nc(C(=O)N[C@@H]2C[C@H]2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2255651467 WSDODUOGENXGPM-NWDGAFQWSA-N 454.764 2.016 30 10 JEEE COCC1(NC(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2255699708 ZPANCEWGBHNXSD-UHFFFAOYSA-N 452.382 2.413 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@H](O)CN(C(=O)c2csc(B3OC(C)(C)C(C)(C)O3)c2)C1 2255705959 BWBSBEBIEKTARX-GJZGRUSLSA-N 452.382 2.147 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1S(=O)(=O)N[C@H]1C[C@@H]1NC(=O)OC(C)(C)C 2255933529 PKLFQUPPEHGBOV-HOTGVXAUSA-N 452.382 2.238 30 10 JEEE Cc1sc(CNC(=O)[C@H](CO)NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1C 2256625198 SXIBHHWGPQBQEO-AWEZNQCLSA-N 454.398 2.166 30 10 JEEE C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1csc(B2OC(C)(C)C(C)(C)O2)c1 2256627029 QTAMBWHRRGVEKJ-BBRMVZONSA-N 454.398 2.280 30 10 JEEE Cn1ncc(C(=O)NCc2cnc(NC(=O)OC(C)(C)C)s2)c1B1OC(C)(C)C(C)(C)O1 2267007726 AKHPTZHDOKCZFR-UHFFFAOYSA-N 463.369 2.453 30 10 JEEE COCC1(NC(=O)OC(C)(C)C)CC(NC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2267162831 SCRSBLDLRXOTKD-UHFFFAOYSA-N 467.397 2.244 30 10 JEEE C[C@H]1CN(C(=O)c2nn(C)c(Cl)c2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2267182612 AMAIPCARIUVRIX-ZDUSSCGKSA-N 468.791 2.454 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCN(S(=O)(=O)Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2267705347 HIDKVUXNMQMYHW-GOSISDBHSA-N 466.409 2.415 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2[C@H](NS(=O)(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)cc3)[C@H]2C1 2267714862 OHJYOKLRMQKIGW-PIIMJCKOSA-N 464.393 2.129 30 10 JEEE CN(C(=O)OC(C)(C)C)[C@H]1CCN(S(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267715044 RAUQMBACSKYGKH-INIZCTEOSA-N 467.397 2.011 30 10 JEEE CN(Cc1ccccc1)[C@@H]1CCN(S(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267718458 UBGYNHNGTDVNSY-HXUWFJFHSA-N 457.405 2.276 30 10 JEEE CC(C)(C)OC(=O)N1[C@H](CNC(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)C[C@@H]2COC[C@@H]21 2281808583 DCFQNWGNZKWKOC-YCPHGPKFSA-N 479.408 2.197 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@]2(CCNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2281990755 QZZXJDFEBRKUAH-CMJOXMDJSA-N 460.384 2.476 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@]2(NC(=O)c3ncc(B4OC(C)(C)C(C)(C)O4)cn3)CCC[C@@H]12 2282025499 PMPYFSHXOIKUJC-MWTRTKDXSA-N 458.368 2.438 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N 2282118212 AYIYGMLMJGINHN-QGZVFWFLSA-N 458.368 2.392 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1CO 2282141595 JTVQRBKUAZTBSY-SFHVURJKSA-N 460.380 2.348 30 10 JEEE C[C@@H]1CCC[C@H](CNC(=O)OC(C)(C)C)N1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282173069 DTVWPPGCHHBKFZ-HUUCEWRRSA-N 463.388 2.022 30 10 JEEE CC1(C)OB(c2cncc(C(=O)N3C[C@H]4CC[C@H]3[C@H](NC(=O)C(F)(F)F)C4)c2)OC1(C)C 2282190277 GDYPYBVZBQSORY-MAZHCROVSA-N 453.270 2.052 30 10 JEEE CC1(C)OB(c2cncc(S(=O)(=O)N3C[C@@H]4CN(Cc5ccccc5)C[C@H]4C3)c2)OC1(C)C 2282349813 DFQAEHNHPKYXCN-PMACEKPBSA-N 469.416 2.133 30 10 JEEE CC1(C)OB(c2cncc(S(=O)(=O)N3C[C@@H]4[C@H](CCN4Cc4ccccc4)C3)c2)OC1(C)C 2282352467 OVCRIFHAABYRHB-DENIHFKCSA-N 469.416 2.276 30 10 JEEE CC(C)(C)OC(=O)NC1CC(O)(CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)c(F)c2)C1 2282480611 JQOXOWKQMZBYHI-UHFFFAOYSA-N 464.343 2.273 30 10 JEEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)[C@H]2CC[C@H]21 2282497137 MBZARGOVRXVRPS-CVEARBPZSA-N 499.464 2.356 30 10 JEEE Cc1nc(S(=O)(=O)N(Cc2ccccc2)Cc2cn[nH]c2)c(B2OC(C)(C)C(C)(C)O2)n1C 2282505733 IGOWJRFAGOKNBY-UHFFFAOYSA-N 471.392 2.142 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@]12CCC[C@H]1N(C(=O)OC(C)(C)C)CC2 2282538046 ZVZHNRMPFIZBCQ-WAIKUNEKSA-N 460.384 2.381 30 10 JEEE Cc1c(C(=O)N2CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282554515 FOWLZMALNGHGDE-GOEBONIOSA-N 462.400 2.403 30 10 JEEE Cn1ncc(C(=O)N2CC[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2282568330 ASNKXDYOOOPGQU-CVEARBPZSA-N 460.384 2.333 30 10 JEEE Cc1nn(C)c(C(=O)NC[C@H]2[C@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)c1B1OC(C)(C)C(C)(C)O1 2282573991 IOHMMGSQYSDVKS-HRCADAONSA-N 460.384 2.013 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2282592982 KSZDEBYRTNHOBJ-HOTGVXAUSA-N 460.384 2.109 30 10 JEEE Cc1c(C(=O)N2CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282593171 MPZDYVBKJGVKCH-GOEBONIOSA-N 462.400 2.403 30 10 JEEE CCO[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2282645698 KIIQHQZMBRUSJH-WMZOPIPTSA-N 463.384 2.458 30 10 JEEE Cc1cccc(C(=O)N[C@]2(CO)CCN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2282691839 PASVNWKZXUOUQE-XMMPIXPASA-N 460.380 2.396 30 10 JEEE COc1ccc(C(=O)N[C@H](COCc2ccccc2)C(=O)O)c(B2OC(C)(C)C(C)(C)O2)c1 2284463127 RQPLHCDCIUTQET-HXUWFJFHSA-N 455.316 2.394 30 10 JEEE Cn1nc(C(=O)N2C[C@H]3C[C@@]3(CNC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2288263855 WSJLYQBPMXXWKN-MCMMXHMISA-N 480.802 2.360 30 10 JEEE C[C@@H]1CN(C(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)CC2(CN(C(=O)OC(C)(C)C)C2)O1 2288578628 ZDRBMTVALCFJFL-CQSZACIVSA-N 479.408 2.293 30 10 JEEE CN(C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)[C@H]1CN(C(=O)OC(C)(C)C)CC1(C)C 2289961518 ZCMUUBFQUMMVOG-INIZCTEOSA-N 462.400 2.437 30 10 JEEE C=CCOc1cn(CCOCCO)c(CN2CCN(CC=Cc3ccccc3)CC2)cc1=O 2325775675 ANYNZQIQNHWSQX-UHFFFAOYSA-N 453.583 2.253 30 10 JEEE CN(Cc1ccccc1)[C@]1(CNC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)CCOC1 2337334946 SJMPMZPGPFEEPU-QHCPKHFHSA-N 457.405 2.463 30 10 JEEE NS(=O)(=O)c1ccc(NC(=O)CSc2n[nH]c(N/N=C/c3cccc(Cl)c3)n2)cc1 20835093 FUTGQAIAYFDGAL-AWQFTUOYSA-N 465.948 2.282 30 10 JEEE C=CCN(CC(F)(F)F)C(=O)C1CCN(S(=O)(=O)c2ccc(C(=O)OCC)o2)CC1 109251202 ZPDANQWNWQIXHL-UHFFFAOYSA-N 452.451 2.434 30 10 JEEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)n1c(=O)oc2cc(S(=O)(=O)N(C)C)ccc21 502701028 GMTNSYNCTMSBNF-HNNXBMFYSA-N 472.523 2.361 30 10 JEEE COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1[C@@H](C)c1cccs1 522627935 GDHLSYHHTSTEKE-HOTGVXAUSA-N 453.589 2.235 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)C[S@@](=O)CC(=O)Nc2ccc(OC)cc2)nc1C 526835690 JOXRJGPBDIZUEI-PMERELPUSA-N 451.526 2.129 30 10 JEEE O=C(N[C@@H]1CCNC[C@H]1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 585840318 VSUISZQAVPAPCJ-KZFWWMDYSA-N 469.410 2.402 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCOc1ncccc1F)[C@@H]1CCS(=O)(=O)C1 1286385693 YYYWIFBNXYTZLJ-LJQANCHMSA-N 480.525 2.057 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1286397961 VQKQHAINXOAXLB-OAQYLSRUSA-N 452.584 2.123 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC1(S(C)(=O)=O)CCC1 1286402555 BPSYHFGBGNYGIK-UHFFFAOYSA-N 472.567 2.011 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H]2CCOC[C@H]2C)CC1 1286485411 KKRLFWIOWGJKOE-NCYKPQTJSA-N 472.634 2.477 30 10 JEEE C#CCSCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN2CCOC[C@@H]2C1 1286499468 LXSGTTNDGBHMBJ-IBGZPJMESA-N 457.600 2.240 30 10 JEEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 1286504660 POCYKJAQTVPAMQ-UHFFFAOYSA-N 487.607 2.412 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(=O)N(C)C 1286581674 SIKRQUOVGNAHIR-KRWDZBQOSA-N 450.584 2.467 30 10 JEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1286711406 LEFLTVPPWDJQKC-IBGZPJMESA-N 483.635 2.078 30 10 JEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@](C)(O)c1ccccc1)C1CC1 1286737420 LYBFCKRLYGLFPD-NFBKMPQASA-N 475.615 2.064 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H]2CCS(=O)(=O)C2)C1 1286806495 CSTQZICKSFJGLZ-HZPDHXFCSA-N 452.527 2.363 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCN2CCC[C@@H]2C)C1 1286806670 ZMAUHSHVEQNGGW-FPOVZHCZSA-N 488.658 2.461 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](CC)c2ccccc2)nnc1N1CCN2C(=O)OC[C@H]2C1 1286817901 QCIXOTSWCIJCNG-MOPGFXCFSA-N 459.572 2.062 30 10 JEEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1286824662 ZQZADFUDPWXMDE-OALUTQOASA-N 471.631 2.392 30 10 JEEE C[C@@H]1OCC[C@@]1(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1291223460 HLPRHLCHIMNIQC-VWKPWSFCSA-N 464.492 2.429 30 10 JEEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)C(C)(C)C)C[C@]2(CCOC2)O1 1291278747 BIMODLGAAHGQHP-BVZFJXPGSA-N 482.585 2.275 30 10 JEEE C=CCN1CC[C@H](N(C)C(=O)CC[C@H]2NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)C1=O 1297062529 QRDYJHKLHZJKGA-CVEARBPZSA-N 453.326 2.444 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3OCC[C@H]3COC)n2CCN2CCSCC2)c1 1300336310 COVNHYJVBYSGDP-REWPJTCUSA-N 498.653 2.107 30 10 JEEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1CC[S@](=O)CC)[C@@H]1CCS(=O)(=O)C1 1300481667 AZBPSOQLSUNKEB-CZPUGAFSSA-N 462.641 2.215 30 10 JEEE C#CCN(c1nnc(C)n1CCCNc1ccc(C(F)(F)F)cn1)[C@H]1CCS(=O)(=O)C1 1300483790 MDMMQQZVRBEYGC-INIZCTEOSA-N 456.494 2.129 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCOC3)n2Cc2ccc(Cl)nc2)n1 1300680380 AANBVTSSWXKQOU-GOSISDBHSA-N 455.950 2.361 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC(C)(C)N2C[C@@H](C)C[C@H](C)C2)CC1 1300681810 CJFARVKLOIDTRE-SFTDATJTSA-N 478.645 2.437 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2CCN(C(=O)OC)CC2)CC1 1300689555 YKTVLYPXLALSNC-UHFFFAOYSA-N 467.530 2.087 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1300691120 XDIJQGVBRJLBBN-HNNXBMFYSA-N 468.410 2.442 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](c2nnc(C(C)C)o2)C1 1300872757 GZJHAVWHPGGRNU-KSZLIROESA-N 473.578 2.482 30 10 JEEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)C(C)C)CC1 1300952581 YYDNUYVKOQMUMZ-SFHVURJKSA-N 462.595 2.467 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC2(CC1)CNC(=O)C2 1301569049 OPCFZTMAZBYTHR-QGZVFWFLSA-N 491.589 2.265 30 10 JEEE Cc1ccc(OCCn2c(C(=O)NC(C)C)nnc2N2CCN(c3cc(C#N)ccn3)CC2)cc1 1304428115 FDLUPUIIJOOQSV-UHFFFAOYSA-N 474.569 2.397 30 10 JEEE CC[C@@H](Cn1c(C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C)NC(=O)OC(C)(C)C 1305805871 DFKZVUGFEQQHKX-WBVHZDCISA-N 455.567 2.267 30 10 JEEE CCS(=O)(=O)N(C)CCCn1c(COc2cccc(C)c2)nnc1N1CC[C@](F)(C#N)C1 1314541678 AFRYMCYRKZXOAU-NRFANRHFSA-N 464.567 2.279 30 10 JEEE CN1CCN(CCn2c(COc3ccc(F)cc3)nnc2N2CC[C@@](F)(C#N)C2)CC1(C)C 1314930492 GMOZRFJVODUTEC-HSZRJFAPSA-N 459.545 2.464 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)c1cccc(F)c1 1358890315 NSHVKZGLMUZCQW-VQIMIIECSA-N 463.579 2.186 30 10 JEEE C#CCCCn1c(CN2CCCC2=O)nnc1N(C)C[C@H](c1cccs1)N1CCOCC1 1358933105 HVOCMCBOCLLBHO-LJQANCHMSA-N 456.616 2.385 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1cccc(CN2CCOCC2)c1)[C@H]1CCS(=O)(=O)C1 1358954958 BFZPVVCOLYWUTC-QFIPXVFZSA-N 485.654 2.083 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccccc1N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1358955351 KJOYMTQDZHFWMF-HXUWFJFHSA-N 471.627 2.087 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCOc1cccc(C(F)(F)F)n1 1358974257 WYIJMRKRTYVYQQ-UHFFFAOYSA-N 493.453 2.486 30 10 JEEE C#CCSCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(C(C)=O)CC1 1359056622 ILCMELOKYPKRGT-LJQANCHMSA-N 476.647 2.428 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C2CCCCC2)N(C)C)CC1 1359165490 QFEMIQQQWGAYPO-NHCUHLMSSA-N 480.679 2.278 30 10 JEEE C=Cc1ccc(CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C#N)CC2)cc1 1359170891 CKQPCSOVWVDLDR-OAQYLSRUSA-N 470.599 2.237 30 10 JEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 1359228325 ZQMWZTXBEVHUDP-GOSISDBHSA-N 493.605 2.247 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccnc(N3CCCCC3)c2)C1 1359313264 JKVUWVYAHPOEQN-AZUAARDMSA-N 489.646 2.103 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1359334650 MWWWVEDPPBCRMU-WOJBJXKFSA-N 473.599 2.014 30 10 JEEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 1359337561 VWNGXIURWHHIRM-CVEARBPZSA-N 488.680 2.301 30 10 JEEE C#CCN1CCN(C(=O)c2ccccc2NS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)CC1 1470908732 PAGINBIRIXBPRJ-UHFFFAOYSA-N 456.524 2.403 30 10 JEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](Oc2ncccc2F)C1 1507557748 STTTUWJLVOYWFH-DLBZAZTESA-N 464.567 2.274 30 10 JEEE C#CCCCCn1c([C@@H]2CCCCO2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1507560864 LLAOENAVNBIVNN-NRFANRHFSA-N 470.618 2.264 30 10 JEEE C#CCCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1507571099 POWXSNWHWVDPSS-UHFFFAOYSA-N 487.004 2.487 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1C[C@H]1OCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1507627351 SCWGLSQLWISIPO-UWWQBHOKSA-N 496.431 2.098 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCC=C 1507702339 UILSJCLCMKUTJE-FQEVSTJZSA-N 461.563 2.356 30 10 JEEE C=CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21)c1ccccc1 1507924862 UVXYMZAZSXCUMY-OYNPSCLESA-N 486.642 2.496 30 10 JEEE C=CCn1c(-c2cccc(Br)c2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1508050342 XAXYBEFOXLOERY-UHFFFAOYSA-N 473.375 2.165 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@H](C(=O)N[C@H](C)CCC)C1 1508079550 YMTOIHSBGKSJRO-MJGOQNOKSA-N 482.585 2.497 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCC(N2CCCC2=O)CC1 1508135753 ALQFAMJPSAFWNH-UHFFFAOYSA-N 461.563 2.276 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1508144078 NMOMEUWGMYXRET-GOSISDBHSA-N 484.619 2.012 30 10 JEEE N#Cc1ccc(O[C@@H]2CCN(C(=O)[C@@H]3CCCN(S(=O)(=O)Cc4ccccc4)C3)C2)nc1 1523932545 CVBFZZQSGSFENB-NHCUHLMSSA-N 454.552 2.175 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3csc(C)n3)n2C[C@H]2COCCO2)c1 1539046680 YALGWLSQLUXHMV-FQEVSTJZSA-N 466.567 2.105 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1CCN(CC)C1CC1)[C@H]1CCS(=O)(=O)C1 1539211699 NIDAJCMPNKELLJ-IBGZPJMESA-N 457.600 2.065 30 10 JEEE C#CCN1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2C[C@H](OC)[C@@H](C)CC)CC1 1539430753 NEOBHPGDIGRGBX-ICSRJNTNSA-N 487.674 2.363 30 10 JEEE C#CCN1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2C[C@H](OC)[C@H](C)CC)CC1 1539430754 NEOBHPGDIGRGBX-QUCCMNQESA-N 487.674 2.363 30 10 JEEE C#CCN1CCN(c2nnc(-c3cnccn3)n2C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 1539446010 NVUSRNZGXXXMQD-IBGZPJMESA-N 466.590 2.137 30 10 JEEE C=C(Br)Cn1c(-c2cc(Br)cn2C)nnc1N1CCS(=O)(=O)CC1 1539579771 PQMUUBGEKLBNIK-UHFFFAOYSA-N 479.198 2.190 30 10 JEEE C=C(C)COCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(C(=O)OCC)CC1 1539743984 BFLUBAXCHWPCMN-UHFFFAOYSA-N 467.530 2.465 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3nn(C(C)C)c(=O)c4ccccc34)n2CC(=O)N(C)C)C1 1540890103 ZNCBXCHPPAMHCT-QGZVFWFLSA-N 465.558 2.105 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CC[C@](O)(c2cccc(F)c2)C1 1540903715 GAJFFDGQBPAAJC-JOCHJYFZSA-N 491.614 2.472 30 10 JEEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)CN2CCCC2)C1 1547779408 CCAZCHXGWDPCKS-WIYYLYMNSA-N 471.631 2.067 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCN(c2ccccc2OC)C1 1587640788 VHYOAIHXVPCKPS-IPMKNSEASA-N 457.600 2.173 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CCCNC(=O)c1occc1C 1587667948 PIUOKZXWZKQMJV-MRXNPFEDSA-N 454.556 2.449 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1Cc1oc(CC)nc1C)[C@@H]1CCS(=O)(=O)C1 1588044657 AISKKDOKWYNJAK-QGZVFWFLSA-N 469.567 2.488 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc4cccnc34)n2CC(C)(C)C(=O)NC)CC1 1588907700 DIZUXUQJRYBCBJ-UHFFFAOYSA-N 473.581 2.231 30 10 JEEE C=C(C)Cn1c(Cc2ccccc2F)nnc1N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 1593650194 NVUGVCNAEPGZLE-LJQANCHMSA-N 465.595 2.461 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2cccc(OC)c2)C1 1593746515 HNMXBRLFVHEPGM-FPOVZHCZSA-N 476.599 2.359 30 10 JEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2c(F)ccc(F)c2C1 1594732708 GXWWPFQSJNOSQM-IBGZPJMESA-N 467.542 2.418 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1595595410 UHRUEPAAWLGRSL-FQEVSTJZSA-N 482.629 2.411 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1595745204 RERORXNUINYAMG-PZJWPPBQSA-N 460.600 2.288 30 10 JEEE CC(C)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2([S@](C)=O)CC2)[C@@H](C)C1=O 1607485026 DXQHTJHMHMNISM-IQVDJAOASA-N 454.600 2.421 30 10 JEEE N#Cc1ccc(N2CC[C@H](C(=O)N3CCN(CC(=O)Nc4ccccc4F)CC3)C2)c(F)c1 1610949374 FIDBLBRRCZHFBV-SFHVURJKSA-N 453.493 2.446 30 10 JEEE CC[C@H](C)[C@](C)(O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1613098625 FQFZJVRSIKDRKJ-PYDOFHOQSA-N 490.630 2.135 30 10 JEEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 1633841743 GJHBURCTKJPEIU-CYBMUJFWSA-N 455.462 2.194 30 10 JEEE C=CCOC[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1)C(=O)OC 1634058972 UWHIOZJFFSZSKU-FQEVSTJZSA-N 452.573 2.071 30 10 JEEE C#CCN(C(=O)NCc1cccc(-c2nc(CC(F)(F)F)no2)c1)[C@@H]1CCS(=O)(=O)C1 1682851147 DAQZZUPDXARCSY-OAHLLOKOSA-N 456.446 2.173 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CCCNC(=O)C2CCC2)c1 1689870125 CDGDLDWOEZCXGW-UHFFFAOYSA-N 474.569 2.041 30 10 JEEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1689916645 QHNIPDPQTZHBDE-SFHVURJKSA-N 468.558 2.425 30 10 JEEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1689941718 UKZNEODOLBSGHJ-KRWDZBQOSA-N 485.589 2.284 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1Cc1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1689981962 FBVBJVAAJVFMAM-SFHVURJKSA-N 485.566 2.242 30 10 JEEE C#CCN(c1nnc(COCC)n1Cc1ccccc1OC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1689997108 WAQUTDUOTJOFGG-MRXNPFEDSA-N 472.489 2.388 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(NC(=O)CC(C)C)c1 1690019996 WFXQJCLETBYUHW-HXUWFJFHSA-N 467.595 2.286 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCNC(=O)C(C)(C)C 1690029659 HEAJGIHRWAMLIK-HDICACEKSA-N 456.591 2.284 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccccc2OC)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1690098989 YVGVITNIASNXLU-PZJWPPBQSA-N 487.626 2.244 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc(N(C)C)cc2C)CC1 1690113254 FATOBKWWGCWLST-SANMLTNESA-N 466.630 2.497 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2Cc2ccc(OCCC)nc2)CC1 1690142059 HBGDQODZYMVXAI-UHFFFAOYSA-N 461.570 2.482 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC(F)F)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1690196130 ZDXOLTXYLAEGTO-NHCUHLMSSA-N 466.510 2.088 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CCC(N2CCNC2=O)CC1 1690719274 JTPYZLZESOJEEY-UHFFFAOYSA-N 472.615 2.102 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CC[C@H](CN2CCCCC2)C1 1690725172 HUSVOTCSGZSCSJ-HXUWFJFHSA-N 458.632 2.177 30 10 JEEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](c2ccco2)C1 1690746789 JZRNOPSCBLQKMB-SJLPKXTDSA-N 467.617 2.117 30 10 JEEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCCN2CC)C1 1695944865 BGGOSGFVDWNJPZ-SFTDATJTSA-N 471.631 2.209 30 10 JEEE CCOc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H](C)N1CCN(CC)CC1 1696174780 GATIXWQRDGJDQO-NHCUHLMSSA-N 483.617 2.011 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCCN(C(C)=O)C1 1705495632 SICCSOSOAMLEHR-SXLOBPIMSA-N 474.606 2.303 30 10 JEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1705538665 WQDOYPWIWMLCBO-FQEVSTJZSA-N 497.669 2.206 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCc1nccs1)[C@@H]1CCS(=O)(=O)C1 1705562406 BMYXHLYUVNNDDL-OAHLLOKOSA-N 462.988 2.319 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1CC[C@@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1705569169 CYYLVWHRJHFVDD-MOPGFXCFSA-N 463.629 2.220 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CCN(CC)C1 1705631107 RYKXGMCVYQWTMA-SLFFLAALSA-N 460.623 2.477 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2C[C@@H]2CCCCS2(=O)=O)CC1 1705645745 CXOJMYZFTZVFRK-FQEVSTJZSA-N 469.611 2.187 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CCC(=O)N2CCCCC2)CC1 1705650726 YODNLFRWHFKUQD-UHFFFAOYSA-N 480.588 2.376 30 10 JEEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC2(CCCCC2)C1 1705662236 UFDRROBGXBRJGZ-GOSISDBHSA-N 467.661 2.138 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCC[C@H](COC)C1 1705700010 NVEIRTMCDAABLT-NMLBUPMWSA-N 452.621 2.414 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccc2F)nnc1N1CCCN(S(C)(=O)=O)CC1 1705703677 VYCPFGFQTMIVCD-UGKGYDQZSA-N 477.606 2.461 30 10 JEEE C=C(Cl)Cn1c(N2CCN(c3nccc(OC)n3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1705760777 RXSPTCQQTPEPED-NRFANRHFSA-N 463.970 2.196 30 10 JEEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1705904983 FCWRDZZFHXXYCY-MRXNPFEDSA-N 460.529 2.334 30 10 JEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)CCC2CCCC2)CC1 1705907612 RRULGZAVLUMLDY-UHFFFAOYSA-N 482.633 2.061 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCc2nccnc2C)C1 1705920073 PMWNQYHLWAAJDO-FQEVSTJZSA-N 497.625 2.318 30 10 JEEE C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](C(N)=O)C1)N(C)C(=O)OC(C)(C)C 1706782783 DSNHKBZSFYPPJC-QAPCUYQASA-N 453.547 2.384 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1cccc(S(=O)(=O)NC)c1 1708738671 DVVSQMWEQZHDNR-QHCPKHFHSA-N 487.630 2.283 30 10 JEEE CN(CCC(F)(F)F)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1711171616 CSPUVWQLPMFZJE-MRXNPFEDSA-N 486.520 2.399 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1CCCCS1(=O)=O 1722282784 DXVBIYMBPHMKEW-CRAIPNDOSA-N 463.991 2.287 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1CCc1noc(CC)n1 1722421220 HUAHHMFTEWNOFB-UHFFFAOYSA-N 451.506 2.368 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)CC)n2Cc2ccc(N3CCN(CC)CC3)nc2)CC1 1722432171 UWJJXMHQHGDISU-NRFANRHFSA-N 450.635 2.132 30 10 JEEE C#CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@H](COCC)C1 1722458084 WCRYOIDBYBSVHS-KRWDZBQOSA-N 462.645 2.467 30 10 JEEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1722465625 QBMKDDQNRYASBY-UHFFFAOYSA-N 494.621 2.170 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1722691841 UUTFNAZYNLMQPQ-AEFFLSMTSA-N 458.538 2.212 30 10 JEEE CC[C@H](C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@H]1CCCS(=O)(=O)C1 1727002585 GDLXBEHFHIUAJX-HKUYNNGSSA-N 457.604 2.210 30 10 JEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2cccc(OC(F)F)c2)C1 1740581285 UNEVRQVFENLLEZ-YJBOKZPZSA-N 483.541 2.481 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@@](C)(O)C2CC2)CC1 1740704639 VKFGXUPKFBOTOY-AREMUKBSSA-N 481.597 2.479 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@](C)(O)[C@@H](C)CC)CC1 1740707226 UTOKCPBSVDGXBG-HJPURHCSSA-N 458.632 2.397 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(S(C)(=O)=O)CC1 1740754987 HSNXPOOCSXPDEP-UWJYYQICSA-N 491.614 2.025 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN(c2cccc(OCC)n2)CC1 1740962555 HGMSBFAONUBJFX-UHFFFAOYSA-N 467.599 2.353 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1Cc2ccccc2O[C@H](C)C1 1740985966 OQJXRYPKKUXUTI-QGZVFWFLSA-N 482.566 2.314 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1740991115 OVUNQJALWDYPMX-IBGZPJMESA-N 477.562 2.113 30 10 JEEE CC(C)(C)S(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(CC#N)CC1 1741241910 BQHVYIPKZDVJCL-UHFFFAOYSA-N 459.576 2.269 30 10 JEEE C[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1)Oc1ccccc1F 1741854402 GBQAPHMQJIROJW-QEEYODRMSA-N 451.499 2.229 30 10 JEEE CN(C)CCN1CCC(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(CO)CC2)CC1 1747592382 DXPPJIAAGWUKNX-UHFFFAOYSA-N 481.645 2.211 30 10 JEEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)c2nc(C)cs2)CCO1 1748209200 DSBCULBSNGTXQI-KSSFIOAISA-N 451.556 2.337 30 10 JEEE C#CCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1CC1(NC(=O)OC(C)(C)C)COC1 1748789044 HDZJBSWQKAIUFJ-SFHVURJKSA-N 455.515 2.154 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCOc1cccc(C(F)(F)F)n1)[C@H]1CCS(=O)(=O)C1 1748811388 FTHNXQRFRAFMKS-HNNXBMFYSA-N 494.499 2.393 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(NC(C)=O)cc2)CC1 1749009161 FWOHTINEUJXUTD-OAQYLSRUSA-N 464.570 2.145 30 10 JEEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCc1ccc(Cl)cc1 1749038292 QAGJLKBJLHWFCL-LJQANCHMSA-N 498.074 2.310 30 10 JEEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](c2cccc(C)c2)C1 1749038838 XWSRDOUQWAPXMS-LEWJYISDSA-N 489.667 2.280 30 10 JEEE C#CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1749040087 MBRGGCXZAGMJCJ-QHCPKHFHSA-N 470.574 2.189 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(Cl)nc1 1749158542 INZQCQYFNSXXBC-INIZCTEOSA-N 454.984 2.110 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 1749268647 DWFHOVTYOAOVPL-HZPDHXFCSA-N 458.028 2.311 30 10 JEEE C=CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1749411634 BUBOIYMOBAOYHK-GOSISDBHSA-N 485.976 2.300 30 10 JEEE C=CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CC)CCS(C)(=O)=O 1749430993 VWKDGZYKEWECBI-KRWDZBQOSA-N 471.624 2.424 30 10 JEEE C=CCCCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1749434179 KPQWRSZQNQKXGF-IBGZPJMESA-N 487.004 2.365 30 10 JEEE C=CCN(c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1cnn(C)c1C)C1CC1 1749510299 DDHKXSAPQVNEIX-UHFFFAOYSA-N 455.588 2.440 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCN2CCOC[C@H]2C1)C(C)C 1749557448 JJQRTTWNPYGYHW-YTFSRNRJSA-N 458.651 2.392 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC2(S(C)(=O)=O)CC2)C1 1749694479 SNFMVFONIPVJFQ-GOSISDBHSA-N 494.017 2.220 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1(S(C)(=O)=O)CCCC1 1760112612 JWOPLKAYKLILTI-SFHVURJKSA-N 471.631 2.267 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C/C=C\c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1760191831 OBRGRZPANDPBIO-KKCDMYQCSA-N 464.595 2.480 30 10 JEEE C=CC1CCN(c2nnc(-c3ccc(OC)cc3)n2CCNS(=O)(=O)Cc2ccon2)CC1 1760399289 HUXJNQBTDVKLBD-UHFFFAOYSA-N 472.571 2.464 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1760412053 HMNPBRCDQAHEOD-MSOLQXFVSA-N 451.637 2.476 30 10 JEEE C=CCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1760443200 PKBGXIYGKVNGIH-JOCHJYFZSA-N 472.659 2.232 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1760518652 YJZQFZHHKSKWKS-MRXNPFEDSA-N 488.365 2.325 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCN([C@H](C)c2nc(CC)no2)CC1 1760524949 OOUYMAKNRBUEKC-LJQANCHMSA-N 478.601 2.308 30 10 JEEE N#Cc1cccc(-c2nnc(N3CCC(CCC(N)=O)CC3)n2CCCN2CCC(O)CC2)c1 1771531064 AHXFZDMKXSDWOJ-UHFFFAOYSA-N 465.602 2.145 30 10 JEEE N#Cc1ccc(NC(=O)c2nc(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)n3ccccc23)cc1 1858245157 SQPVLDGIGMCTGV-UHFFFAOYSA-N 488.529 2.078 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)C(=O)N=c2[nH]nc([C@H]3CCCO3)s2)c(C(=O)OCC)c1C 1860766581 FWWHABXQCWYQSC-LLVKDONJSA-N 494.551 2.278 30 10 JEEE COc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2CCN2CCOCC2)cc1O 1862642746 OXDJHTBJTSZQOI-JOCHJYFZSA-N 486.496 2.459 30 10 JEEE O=C(C1=C(O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccccc1C(=O)O)c1ccc(F)cc1 1862678001 IYYWNURNGGSPAJ-HXUWFJFHSA-N 454.454 2.434 30 10 JEEE CN(C)c1ccc(NC(=O)[C@H](CO)NC(=O)C2CCN([C@H](C#N)c3cccs3)CC2)cc1 1866866130 DXJXYTBJBDUGHZ-VQTJNVASSA-N 455.584 2.207 30 10 JEEE CC[C@@H](C)[C@@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 1869929950 PMPPBJQDPLBUDE-UZUQRXQVSA-N 498.605 2.213 30 10 JEEE N#Cc1nnn(-c2ccc3cc[nH]c3c2)c1NC(=O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1870155393 KPFIADDXNVTORQ-UHFFFAOYSA-N 470.405 2.153 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCc2cnnn2Cc2ccccc2)cn1CCOCCO 1870443104 HBDOMGDQMZYIQE-UHFFFAOYSA-N 479.581 2.250 30 10 JEEE CC(=O)NCc1nnc(SCC(=O)N[C@H](C)c2ccccc2)n1/N=C/c1ccc(C(=O)O)cc1 1874436158 OQFMJGCQUQSXAX-HURLIOHXSA-N 480.550 2.464 30 10 JEEE COc1cncc(O[C@@H]2CCN(C(=O)[C@H]3SCC(=O)N(C(C)C)[C@H]3c3ccc(C#N)cc3)C2)n1 1891486514 ARIFRZJWEGCKPX-LEOXJPRUSA-N 481.578 2.430 30 10 JEEE CC1=C(B2OC(C)(C)C(C)(C)O2)CN(C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)CC1 2201807623 YMKSAYHQNYRIRG-QGZVFWFLSA-N 486.440 2.495 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@H]1CNC(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2255535994 BXYMGGKIWCWPQU-CQSZACIVSA-N 452.382 2.413 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]1NS(=O)(=O)c1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2255951221 AXYPVMPMYWUAKF-HOTGVXAUSA-N 456.345 2.069 30 10 JEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H]1COC[C@@H]1CNC(=O)OC(C)(C)C 2267005604 NXQMZIKXWARCHK-HOCLYGCPSA-N 450.341 2.157 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CCNC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C(F)(F)F 2267099026 GSIACZYWTJVHGW-LBPRGKRZSA-N 462.278 2.284 30 10 JEEE CO[C@H]1C[C@H](CNC(=O)OC(C)(C)C)N(C(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)C1 2267284064 XFEZHOHAKSYRIV-CABCVRRESA-N 450.341 2.333 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H]1NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2267365876 WZSIYGZRCBMTIF-XJKSGUPXSA-N 470.372 2.316 30 10 JEEE COC1(CNC(=O)c2nc(C)sc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2267486939 QALBZLRPVWEHTM-UHFFFAOYSA-N 467.397 2.116 30 10 JEEE Cc1csc(C(=O)NC2(CCO)CN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267534041 CATIQNWUYUCJHZ-UHFFFAOYSA-N 466.409 2.457 30 10 JEEE CC(C)(C)OC(=O)NCC1(O)CCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)CC1 2267551098 IJFDINLZZIHNTP-UHFFFAOYSA-N 450.341 2.071 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]1CNS(=O)(=O)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2267709493 CSZYOKYVXUXGLE-FUHWJXTLSA-N 466.409 2.318 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1CCN1S(=O)(=O)Cc1ccccc1B1OC(C)(C)C(C)(C)O1 2267723030 NAFAEVLQVYDZSF-QGZVFWFLSA-N 466.409 2.415 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2Cl)C[C@H](O)C1 2281997204 YNOYHVIUVVVZHB-HNNXBMFYSA-N 481.786 2.088 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1C[C@H]2[C@H]1CCN2C(=O)OC(C)(C)C 2282006868 ZAXPTAJMQAOENB-XHSDSOJGSA-N 460.384 2.155 30 10 JEEE CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H]2NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2282025112 KNSRLEHUQPDVAI-INIZCTEOSA-N 458.368 2.295 30 10 JEEE CN(C[C@H]1CN(C(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)CCO1)C(=O)OC(C)(C)C 2282518520 GDJKCBLBQMJZPT-INIZCTEOSA-N 461.368 2.089 30 10 JEEE Cn1cc(C(=O)NCC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2282544482 DPJUCIHVCOZOTE-INIZCTEOSA-N 462.400 2.486 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCCO[C@@H]2[C@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)o1 2282631835 CATHOIMJZIGDPV-NBMRYCAZSA-N 462.352 2.379 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H]2OCCN(C(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)o3)[C@H]2C1 2282632620 NCAMYUAKSPTACW-JKSUJKDBSA-N 462.352 2.429 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]1CNS(=O)(=O)c1c(F)cc(F)cc1B1OC(C)(C)C(C)(C)O1 2282872058 PQHCBOQNUMRUJN-BLLLJJGKSA-N 488.362 2.456 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)[C@@H]2CCC[C@H]21 2283059720 FMRZFLMIUMKXKV-HRCADAONSA-N 458.368 2.294 30 10 JEEE Cn1nc(CNC(=O)OC(C)(C)C)cc1C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2283976910 JMXDTTQSDWBOEP-UHFFFAOYSA-N 477.396 2.131 30 10 JEEE CC(C)(C)OC(=O)N[C@]1(C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C[C@H](O)C1(C)C 2284051782 SNCANBSCHABMJK-XMHCIUCPSA-N 481.424 2.113 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CC(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)=C[C@H]1O 2284058122 IMWJNMSXKSTJIT-HZPDHXFCSA-N 463.315 2.043 30 10 JEEE C[C@@H](c1nscc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)C1(O)CC(NC(=O)OC(C)(C)C)C1 2284130913 WVSFUUZKMWYHMT-QSLFRCLVSA-N 481.424 2.380 30 10 JEEE COC(=O)c1ccc([C@@H]2C(=C(O)c3cccs3)C(=O)C(=O)N2[C@@H]2CCS(=O)(=O)C2)cc1 2296559548 PUAHSSGMDPQGAD-RHSMWYFYSA-N 461.517 2.144 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](O)CN1c1ncc(Cl)cc1B1OC(C)(C)C(C)(C)O1 2317223807 HGTZSCOGXHZIJZ-HUUCEWRRSA-N 453.776 2.499 30 10 JEEE CC1(C)OB(c2cc(=NC[C@@H]3CN(C(=O)OCc4ccccc4)CCO3)[nH]cc2F)OC1(C)C 2322307167 UXHSYNZXCBWPNZ-GOSISDBHSA-N 471.338 2.391 30 10 JEEE CC(=NNc1nc2c(c(=O)n(C)c(=O)n2C)n1C[C@@H](O)COc1ccc(C)cc1)c1ccccc1 2327754057 CTFUWBSXFQDTGW-LJQANCHMSA-N 476.537 2.018 30 10 JEEE COc1[nH]c(=N[C@H]2CCOC[C@@H]2NC(=O)OCc2ccccc2)ccc1B1OC(C)(C)C(C)(C)O1 2339788086 KECVZBFJKIWWBR-PMACEKPBSA-N 483.374 2.307 30 10 JEEE Cn1nc(C(=O)N2[C@H]3CC[C@@H]2C[C@@H]3CNC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2359266184 JCGZYPVPRGNFMB-INMHGKMJSA-N 460.384 2.237 30 10 JEEE Cn1ncc(C(=O)NC[C@H]2C[C@@H]3[C@H]2CCN3C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2359277957 KCQNLIDYKNUNPQ-HLLBOEOZSA-N 460.384 2.095 30 10 JEEE N#C[C@@H]1CN(C2(C(=O)O)[C@H]3COC[C@H]2CN(Cc2ccccc2)C3)CCN1Cc1ccccc1 2372471500 BKKVTJKWMLPGAC-UBFVSLLYSA-N 460.578 2.298 30 10 JEEE CN[C@H](C#Cc1ccccc1Br)C1(S(C)(=O)=O)CN(C(=O)OC(C)(C)C)C1 2379889189 CAXKDAWQZFWOGS-MRXNPFEDSA-N 457.390 2.423 30 10 JEEE C=CCn1nc(C)c(/C=N/Nc2nnc(SCC(=O)Nc3cccc([N+](=O)[O-])c3)n2N)c1C 59829917 AFCQATSHAGRXOF-UFFVCSGVSA-N 470.519 2.076 30 10 JEEE C=CCn1nc(C)c(/C=N/Nc2nnc(SCC(=O)Nc3cc(OC)ccc3OC)n2N)c1C 59829937 ZALHDYNYHGLHGR-FOKLQQMPSA-N 485.574 2.185 30 10 JEEE C=CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cc3c(cc2Br)OCO3)c1=O 523652739 LXVOEZBQRUIJRU-UHFFFAOYSA-N 473.348 2.459 30 10 JEEE C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)OCC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)O2 728095643 ORYUNSURLRHFJR-WZQKQDCOSA-N 489.484 2.297 30 10 JEEE C#C[C@]1(O)CCCN(C(=O)[C@@H](CC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)C1 757466299 JOEKFRFQEDOADS-GJZUVCINSA-N 462.502 2.355 30 10 JEEE CCc1nnc(NC(=O)CSc2n[nH]c(NN=Cc3cc(OC)c(OC)c(OC)c3)n2)s1 1084576605 CZQARZLBUSTSDW-UHFFFAOYSA-N 478.560 2.421 30 10 JEEE COc1cc(CNC(=O)CSc2n[nH]c(NN=Cc3cnn(C(C)C)c3)n2)cc(OC)c1 1084580597 JBOVXOKANCTFDB-UHFFFAOYSA-N 458.548 2.454 30 10 JEEE C#CCN(C(=O)CCN1C(=O)CCNC1=S)[C@@H]1CCOc2ccc(Br)cc21 1136804626 HCGKFFKFBGISDU-OAHLLOKOSA-N 450.358 2.231 30 10 JEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CN(CC(F)(F)F)C[C@H]2c2ccccc2)cc1 1142123264 NALRORGJCBJAQA-VQTJNVASSA-N 465.497 2.358 30 10 JEEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(Cl)ccc2Oc2ccc(F)cc2)CC1 1175515355 YMGVMNIIZUXKBB-UHFFFAOYSA-N 451.907 2.497 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(F)ccc2Br)n1CC1(S(C)(=O)=O)CC1 1286403706 LJFKSYAGPGNEOB-UHFFFAOYSA-N 465.348 2.497 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1286422379 ZCIKJRDLBJFPLJ-DHIUTWEWSA-N 476.606 2.484 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCC(=O)N2CCCCCC2)CC1 1286490368 ROIOZCQFQSIEDB-UHFFFAOYSA-N 451.575 2.032 30 10 JEEE C=C(Br)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCN(C)C(=O)C1 1286537861 FGBRCOZCZJLYFY-UHFFFAOYSA-N 486.374 2.252 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1286549221 WNNSVDOEEMLOIX-JTHBVZDNSA-N 487.693 2.392 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](OC)c2ccccc2)CC1 1286646956 YKUBNJZIHKGGBU-WOJBJXKFSA-N 461.588 2.155 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CCCN(C(=O)C2CC2)CC1 1286784948 ZJGVXDVAEWFNJT-UHFFFAOYSA-N 487.402 2.459 30 10 JEEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 1286829320 XHSRWRGIRYJPLW-UHFFFAOYSA-N 451.600 2.489 30 10 JEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(OC4CCOCC4)cc3)CC2)cc1 1290635740 AJJHZPHQQPFCJY-UHFFFAOYSA-N 455.536 2.263 30 10 JEEE CCOC1CC(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CC(=O)NC(C)C)(N2CCOCC2)C1 1296917670 FNZPMOIIRFWSRN-UHFFFAOYSA-N 495.628 2.047 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Cl)n1C[C@H](C)CN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1300486955 CIODGVPWZVHSSH-RTBURBONSA-N 492.045 2.194 30 10 JEEE C#CCN(c1nnc(COCC)n1Cc1ccc2c(c1)[C@H](C)[C@@H](C)O2)[C@@H]1CCS(=O)(=O)C1 1300503777 FLZQFTSYEQMHGD-ZHALLVOQSA-N 458.584 2.374 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1301481330 KBDJOFPNSKJJDA-SAHWJRBASA-N 459.522 2.244 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](c2nc(CC)cs2)C1 1301567585 JXEOIOVQJDLXJK-MRXNPFEDSA-N 480.660 2.420 30 10 JEEE C=CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1301595658 ZFOVNCNKPKBZBP-JOCHJYFZSA-N 475.018 2.497 30 10 JEEE C#C[C@@H]1CCCCN1C(=O)c1cc(Br)cc(S(=O)(=O)N2CCOCC2)c1F 1304829247 KJXOASLOUNBDIH-CQSZACIVSA-N 459.337 2.237 30 10 JEEE CC[C@H](C#N)Oc1cc(CNC(=O)CN(C)C2=NS(=O)(=O)c3ccccc32)ccc1OC 1353363697 AYOZNDUNOCBPCQ-MRXNPFEDSA-N 456.524 2.073 30 10 JEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H]1CN(CC)c2ccccc2O1 1358929539 BZBIATSAVZMSKU-RBUKOAKNSA-N 457.600 2.317 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC(C)(C)NC(=O)OC(C)(C)C)CC1 1359029865 JGKNRDUZCMQYMK-RUZDIDTESA-N 490.649 2.377 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2cc3c(cc2OC)C[C@@H](C)O3)CC1 1359030025 MKLVFMCMGAEISM-RTBURBONSA-N 469.586 2.138 30 10 JEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](c2ccc(F)cc2)C1 1359048892 CXKDUFAETNQZOX-RDJZCZTQSA-N 451.593 2.388 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2c(ccnc2N(C)C)C1 1359084339 DWNITYUBDCSKTF-OAHLLOKOSA-N 481.420 2.113 30 10 JEEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 1359207780 XEPVLVYIRFPDTD-NRFANRHFSA-N 465.602 2.310 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CC(C)(C)CN(C)C 1360237299 APPWEOJCXMNPTB-UHFFFAOYSA-N 470.597 2.341 30 10 JEEE Cc1ccc(C)c(OCc2nnc(N(C)[C@@H](C)CC#N)n2C[C@H]2CCN(S(C)(=O)=O)C2)c1 1361144017 BFQIOPVGRUVDQC-OALUTQOASA-N 460.604 2.494 30 10 JEEE CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC[C@H](O)C2)CC1 1496305869 CZQDXHGKLDLMGA-RRPUWOKSSA-N 479.629 2.405 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1Cc1cc(C)no1)[C@@H]1CCS(=O)(=O)C1 1507623347 RFEGQLNKHRFLFP-LJQANCHMSA-N 482.566 2.119 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@H](C)N(C)C1CC1)[C@@H]1CCS(=O)(=O)C1 1507624688 CUZJNJSQIGWVEO-WMLDXEAASA-N 495.447 2.145 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@H](C)N(C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1507634850 NRGHRAUAYJYWBF-REWPJTCUSA-N 478.622 2.416 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCN2CCCO[C@@H](C)C2)CC1 1507720453 HBAQQANPFPMQSY-IBGZPJMESA-N 458.010 2.250 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@H](C)COc2ccccc2OC)CC1 1507739016 KSCWGRUZJCPGMF-FPOVZHCZSA-N 481.597 2.472 30 10 JEEE C#CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1507751075 DDCATTUTHZRERY-LSDHHAIUSA-N 474.612 2.218 30 10 JEEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 1507751340 HNZMJLGUSRRPBD-UHFFFAOYSA-N 480.573 2.001 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1([S@](C)=O)CC1 1507771799 CUCJHTZTWUGPEY-XNCKCSALSA-N 477.631 2.490 30 10 JEEE C=C(C)Cn1c(N2CCN3C(=O)N(CC)C(=O)[C@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1507836778 ZTMJROPNJPLONH-IXDOHACOSA-N 473.578 2.098 30 10 JEEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1507943038 WAZYMGLGMRFQMH-IBGZPJMESA-N 486.598 2.081 30 10 JEEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N(C)C2CCCCC2)CC1 1507947755 JXNPGDMXFKCKAC-HXUWFJFHSA-N 457.623 2.109 30 10 JEEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1508047857 JZFMNQXSMHPIOL-IBGZPJMESA-N 470.603 2.431 30 10 JEEE CC1(C)COCCN1CCn1c(-c2ccc(C#N)cc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1510339122 FJUGJYXYTYSBQA-OAQYLSRUSA-N 486.642 2.331 30 10 JEEE CCNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCCCC2=O)CC1 1516007272 IFUPZFBDPPMLGZ-UHFFFAOYSA-N 464.574 2.071 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(CC)CC2)c1 1539037964 JRGGPEXZLRLRND-INIZCTEOSA-N 458.588 2.135 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@H](OC)C(C)C)[C@H]1CCS(=O)(=O)C1 1539204697 CABKIBHGGNZDOA-RDJZCZTQSA-N 484.420 2.333 30 10 JEEE C#CCN(c1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1ncn(C)n1)[C@@H]1CCS(=O)(=O)C1 1539210233 ABPQKUPHHLNCDE-LJQANCHMSA-N 467.599 2.046 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@H](CC(C)C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1539216048 MWXQWASAMWNIFO-WOJBJXKFSA-N 458.632 2.252 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CCc1ccc(C)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1539225287 MNJOILHOKDNASC-JOCHJYFZSA-N 479.606 2.450 30 10 JEEE C#CCSCCn1c(CCOc2ccccc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1539524738 NPJHMDKHXGYCLO-JOCHJYFZSA-N 460.625 2.281 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)CCCS(C)(=O)=O 1539630205 ZLGQDSRURRIWRZ-OXQOHEQNSA-N 486.598 2.446 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1539641105 CYGQMBZNYUWJOY-HLIPFELVSA-N 470.540 2.455 30 10 JEEE C=CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1CCS(=O)(=O)CC1 1540069846 YOUFHIAAWXTFFA-UHFFFAOYSA-N 456.572 2.122 30 10 JEEE C=CCn1c(N2CCN(CC(=O)N3C[C@H](C)C[C@@H](C)C3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1540861080 AQHKNJCOQBEKJW-OTPAQWSUSA-N 474.650 2.131 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2Cc2ncn(C)n2)C1 1540890292 CEXQIZAEBVNQDQ-MSOLQXFVSA-N 472.594 2.351 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1540899923 FGTZSXBDBASWMV-GOSISDBHSA-N 476.599 2.329 30 10 JEEE CCN(CC)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(O)(CC)CC)CC1 1547414546 FWXZUDPJVUABFD-UHFFFAOYSA-N 467.618 2.358 30 10 JEEE CN(C)C(=O)[C@@H]1CCCN1CCCn1c([C@H]2CCOC2)nnc1N(C)Cc1cccc(C#N)c1 1552661406 BOEVEKRGUYKKMS-VXKWHMMOSA-N 465.602 2.233 30 10 JEEE CN(CCCn1c(-c2ccc(C#N)cc2)nnc1N(C)CCS(C)(=O)=O)CC(F)(F)F 1554275750 GPINHIARGBWWFE-UHFFFAOYSA-N 458.510 2.182 30 10 JEEE N#Cc1ccc(N2CCN(c3nnc(-c4ccccc4)n3CC(=O)NCC(F)(F)F)CC2)nc1 1555989284 FNLFRKXDZOYMHQ-UHFFFAOYSA-N 470.459 2.217 30 10 JEEE C=CCC[C@@H](CO)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1 1568995635 XVFXLVIVOAPASQ-STQMWFEESA-N 451.408 2.355 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc(Cl)nc3)n2CCn2cncn2)c1 1587689978 VSBPIIVHIYOVMR-UHFFFAOYSA-N 461.917 2.341 30 10 JEEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(CC(=O)N(C)C2CCCCC2)CC1 1587701409 BJKZAUINDJYAQT-UHFFFAOYSA-N 471.650 2.133 30 10 JEEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@H](C)CN1CCOCC1 1587975107 NSMICIXYNDBFLY-IBGZPJMESA-N 463.586 2.274 30 10 JEEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H](N1CCOCC1)C(F)(F)F 1588185785 MCVQFXRJYOGSMF-UGKGYDQZSA-N 483.535 2.045 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCO[C@H]1CCOC1 1588233587 LPDPWDYJYTWUNL-SFTDATJTSA-N 487.601 2.245 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(OC)c2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1588595454 UZIJLVWMBYYOOE-IRLDBZIGSA-N 487.626 2.244 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1588604164 CPUPCMJPWNDEAT-RTBURBONSA-N 493.033 2.284 30 10 JEEE C#CCN1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CCCSC)CC1 1588751674 MJCUDTNYJDRDAS-UHFFFAOYSA-N 461.661 2.055 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCc2cccc(C(=O)NC)c2)CC1 1588929531 CEWWIVSFFQUINI-QFIPXVFZSA-N 478.597 2.088 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N(C)CCNS(=O)(=O)c1ccc(C)cc1 1589528454 GKARSDABYIUIJN-UGKGYDQZSA-N 499.641 2.383 30 10 JEEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC2(CC1)CNC(=O)C2 1593636664 PKSMYMSBMLUBQO-KRWDZBQOSA-N 460.579 2.269 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 1595758692 BUTKEUQUCMGWBS-RDJZCZTQSA-N 464.588 2.463 30 10 JEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ccc(=O)n(Cc2cccc(F)c2)c1 1603384983 BEMOUVUVSKJXIP-HNNXBMFYSA-N 454.483 2.213 30 10 JEEE CCOC(=O)[C@@H]1S/C(=N/C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)N(C)[C@@H]1C 1613895725 LRBUKJPGRCUIOB-OYDZXUGCSA-N 480.033 2.436 30 10 JEEE C=C(C)Cn1c(SCC(=O)NC2CCN(S(=O)(=O)CC)CC2)nnc1-c1ccco1 1637695686 RGFLGORGOKZZAU-UHFFFAOYSA-N 453.590 2.137 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1689824403 ORYHKIREBANMNA-QZTJIDSGSA-N 453.591 2.323 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2C[C@@]2(N3CCOCC3)CCSC2)c1 1689873653 QUDLVSVYUGJHCM-VWLOTQADSA-N 498.653 2.079 30 10 JEEE C#CCN(c1nnc(COCC)n1C[C@@H](OC)c1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 1689995791 ACUIBNJZDNUVNE-RTBURBONSA-N 466.991 2.482 30 10 JEEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(N2CCN(CC)CC2)nc1 1690086836 ABVMKZDIEYFGCU-GMAHTHKFSA-N 467.618 2.047 30 10 JEEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2cccc(OCC(F)(F)F)c2)CC1 1690131411 YUJHTFAJEGDIFP-UHFFFAOYSA-N 476.503 2.145 30 10 JEEE C#CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1690177462 WRKDTCWCTZBCCD-UHFFFAOYSA-N 458.607 2.021 30 10 JEEE C#CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CCC(N2CCNC2=O)CC1 1690185260 WAZAISQCVAUIJX-UHFFFAOYSA-N 470.599 2.226 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc3ccccc3n2)nnc1N(C)CCNS(C)(=O)=O 1690241844 YEMWTSWWULQNIJ-RXVVDRJESA-N 470.599 2.460 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1690246593 VWDMKAUMZNHCHK-ZCNNSNEGSA-N 495.646 2.076 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1690250827 MAQQPHRQQKQHLV-HQRMLTQVSA-N 465.645 2.382 30 10 JEEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1690361514 XCORACIEBXBBMA-MHORFTMASA-N 455.987 2.122 30 10 JEEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1690508546 KWIOPABAAFHLDK-MSOLQXFVSA-N 451.568 2.105 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N(C)[C@@H]1CCSC1 1690668755 IBMACQYVEQMRJI-MRXNPFEDSA-N 467.599 2.309 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N(C)C[C@@H]1COc2ccccc2O1 1690724722 VFIWIDHSZIEXTH-ZWKOTPCHSA-N 462.572 2.049 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCCCO1 1698049782 FCSWTYVIMYEMIL-NRFANRHFSA-N 452.559 2.494 30 10 JEEE C#CCN(c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@H]1OCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1705563177 RYJKEANAHHSRDZ-SFGWALBWSA-N 488.610 2.404 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1nnc(C(C)(C)C)s1)[C@H]1CCS(=O)(=O)C1 1705564740 CLDXAVCSMBFDNP-AWEZNQCLSA-N 459.601 2.097 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1c(F)cccc1OC(F)F)[C@@H]1CCS(=O)(=O)C1 1705567023 SJXNMHNTUDWVFT-HUUCEWRRSA-N 484.500 2.198 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1CCN(C(=O)OC(C)(C)C)C1CC1)[C@@H]1CCS(=O)(=O)C1 1705570322 OTILDIRQKPDWNR-LJQANCHMSA-N 477.631 2.257 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(Br)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1705575226 DDIPXFADYREIQD-GOSISDBHSA-N 476.400 2.204 30 10 JEEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1705642008 CKRCASYEPMNOJS-OAQYLSRUSA-N 471.627 2.054 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccc(COC)cc2)CC1 1705645432 UIILLZSTQYGYLC-AREMUKBSSA-N 481.597 2.091 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CCc2ccc(OC)cc2)CC1 1705649980 KIOSCMFTYIFGQV-UHFFFAOYSA-N 458.566 2.481 30 10 JEEE C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](n2cncn2)C1)c1ccccc1 1705741179 IDWJYYNFWQPBMV-PKOBYXMFSA-N 456.576 2.035 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1705903153 NCLYOTLYHBHDRM-KXBFYZLASA-N 462.957 2.197 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC(=O)NC2CCCCC2)C1 1705929490 RKUKDRZZMOYHJZ-SFHVURJKSA-N 472.615 2.500 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](c2nc(C)c(C)s2)C1 1705934367 KBTYZMFMQSOZRU-IRXDYDNUSA-N 478.644 2.287 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OCC)CCOC3)n2CCc2nnc(C)s2)c1 1722304670 CCYVDYNDYVNWKW-XMMPIXPASA-N 495.609 2.389 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1ccccc1)C[C@H]1CCCO1 1722333888 ZULQZCYYAGESPI-FGZHOGPDSA-N 487.626 2.210 30 10 JEEE C#CCN(c1nnc(C(C)C)n1CC(C)(C)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1722358877 NCGRUZMDVCFGOV-INIZCTEOSA-N 453.609 2.332 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCOc1ncccc1F)[C@@H]1CCS(=O)(=O)C1 1722359992 QXFCSICPCABJMS-MRXNPFEDSA-N 459.503 2.086 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCCO[C@H]2CCOC2)CC1 1722428915 CUNWTEFZTDBVNN-QFIPXVFZSA-N 466.586 2.098 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2C[C@@H](OC(C)(C)C)C2(C)C)CC1 1722436976 HWVZNQNYZCRRHH-VAMGGRTRSA-N 477.675 2.165 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2C[C@H]2CCCN2c2cc(NC)ncn2)CC1 1722446966 FDPDHFYUNZKMDR-HXUWFJFHSA-N 493.660 2.333 30 10 JEEE C#CCSCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@H](NC(C)=O)C1 1722453044 VPGSIGZJSFZGKL-SFHVURJKSA-N 489.671 2.018 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1722490569 ASABCMOFLTZBMX-SCTDSRPQSA-N 469.546 2.184 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2cc(C)on2)CC1 1722588115 KNMNYKOIYPEDQP-GOSISDBHSA-N 462.620 2.401 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCc3c(cccc3OC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1722731207 GSXXFEUWUZXBIX-XMMPIXPASA-N 490.626 2.491 30 10 JEEE CC(C)(C)NC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1722971300 DNUVTMOEJZAZRI-LEWJYISDSA-N 482.585 2.418 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CC2(C)CCOCC2)c1 1740563615 UTRIUQWNJSQIRT-UHFFFAOYSA-N 464.570 2.387 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1cscc1C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1740616085 RVWSJNDJNZGZFU-CQSZACIVSA-N 489.545 2.172 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1CCn1cc(Br)cn1)[C@H]1CCS(=O)(=O)C1 1740617759 WXUWPPRONWVBBS-ZBFHGGJFSA-N 469.409 2.078 30 10 JEEE C#CCN(c1nnc(COCC)n1C[C@@H](CC)N1CCc2ccccc2C1)[C@H]1CCS(=O)(=O)C1 1740627257 FTRGNWMFCNOECU-PKTZIBPZSA-N 485.654 2.278 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CC(=O)N(c2ccccc2)C1 1740629242 GWEXKMNIOHHEPT-LJQANCHMSA-N 453.506 2.051 30 10 JEEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CCc1ccc(OC)c(OC)c1OC 1740639111 RABXCTROCNCUGK-UHFFFAOYSA-N 477.521 2.347 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(C)n2)n1CC1(NC(=O)OC(C)(C)C)COC1 1740684157 KRCRUXAACITAIT-UHFFFAOYSA-N 456.547 2.028 30 10 JEEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1cn2cc(Cl)cc(Cl)c2n1 1740689069 YTISZHPOGMQECY-UHFFFAOYSA-N 476.368 2.489 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2cn3ccccc3n2)nnc1N(C)CCCC(=O)NC 1740759453 IXTCUHHUCKUGME-WZONZLPQSA-N 451.575 2.460 30 10 JEEE C=C(C)COCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCC[C@@H](C(N)=O)C1 1740793664 VVEZHWZIJWZLOQ-GOSISDBHSA-N 479.585 2.359 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](N(C)Cc2ccccc2)C1 1740794740 HFCXXZGVKBSUJH-FGZHOGPDSA-N 473.643 2.484 30 10 JEEE C=CC[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)NC)CC1)c1ccccc1 1740854257 DYDPIXOSMIFAIO-WOJBJXKFSA-N 472.615 2.002 30 10 JEEE C=CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)OC[C@]2(C)C1)c1ccccc1 1740854722 ROZKBFVVWVTDBR-GWJPWWOOSA-N 488.614 2.279 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCS(=O)(=O)C(C)(C)C 1740937978 UYBODAYPJFLSSM-KRWDZBQOSA-N 484.644 2.222 30 10 JEEE Cc1cc(C)n(-c2ccc(Cn3c([C@H](C)NS(C)(=O)=O)nnc3N3CCC[C@@](C)(C#N)C3)cn2)n1 1742668970 HFOFNKAPUIRBBT-MBSDFSHPSA-N 497.629 2.264 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1cnn(Cc2ccccc2)c1)[C@@H]1CCS(=O)(=O)C1 1748803319 XEDFXAVOIWPRJB-OAQYLSRUSA-N 466.611 2.495 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCCc1c[nH]nc1C)[C@H]1CCS(=O)(=O)C1 1748809763 VZSKZNNHZIDDCZ-FQEVSTJZSA-N 468.583 2.245 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1cccc(CN2CCOCC2)c1)[C@H]1CCS(=O)(=O)C1 1748817041 CPZPZUNLUMKTDR-QHCPKHFHSA-N 499.681 2.374 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@](C)(O)c1cccs1 1748831669 SSGXAEYTGFKPSP-HSZRJFAPSA-N 483.619 2.237 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(C)nc3ccccc23)n1CCS(=O)(=O)N(C)C 1748869224 YRZLRTVIZNGRDJ-UHFFFAOYSA-N 450.568 2.156 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2CCCN2CCCO[C@H](C)C2)CC1 1749016329 ASTYFJMUTALXAV-OAQYLSRUSA-N 496.631 2.475 30 10 JEEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 1749039013 NWYKHFPWOMPBRC-BHDDXSALSA-N 488.702 2.355 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCOCC1 1749537976 QRNUTKYUDSKUNM-NRFANRHFSA-N 459.616 2.095 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 1749660410 ORVNYAUCKANMOE-GOSISDBHSA-N 496.612 2.397 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@@H](C)OC(C)(C)C1 1749721992 YIGGNMGUASIGPV-MRXNPFEDSA-N 496.033 2.466 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1749729440 JNYNWPFZXOLPGO-LJQANCHMSA-N 457.600 2.446 30 10 JEEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCc2c(ncn2-c2ccc(C)cc2)C1 1749740641 XCFRWPOWFPQKAZ-UHFFFAOYSA-N 470.599 2.472 30 10 JEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H](c1ccco1)N(C)C 1760173061 INXHMKSAORTEGX-LJQANCHMSA-N 456.572 2.161 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 1760182077 BKHSKFXWDQOXON-UGKGYDQZSA-N 466.611 2.175 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@@H](C)c1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1760182834 MXQULVOLNQWCMD-DNVCBOLYSA-N 490.630 2.232 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccc(C(N)=O)nc1 1760211954 PPGIKSGDTYDELD-UHFFFAOYSA-N 452.316 2.041 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2OC)n1CCS(=O)(=O)NC(C)C 1760215198 RGHCAROQPDPVLA-UHFFFAOYSA-N 463.991 2.398 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2ccc(Cl)nc2)CC1 1760256060 SAKLVMLXZAKYKO-UHFFFAOYSA-N 470.986 2.201 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCCCN2CCC(C)CC2)CC1 1760256738 JRHQHGGYNLWHIO-RUZDIDTESA-N 458.651 2.198 30 10 JEEE C#CCSCCn1c(-c2ccccc2C)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1760278486 WTQDUUQHARRKAY-KRWDZBQOSA-N 450.572 2.152 30 10 JEEE C=C(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1760342503 NHHXMEPSVQFGNC-INIZCTEOSA-N 465.576 2.065 30 10 JEEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1760421369 MKUQVHNECSIQPS-UHFFFAOYSA-N 480.617 2.416 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H]2C[C@H]1CO2)C(C)C 1760490010 OIRRHABNSCSZKT-XSDIEEQYSA-N 463.648 2.246 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](c2ccccc2Cl)C1 1760514515 HZHBCFCZLZZDCG-SFHVURJKSA-N 481.944 2.459 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCCN(C(C)=O)CC1 1760548595 LJZNDGLLODVKSX-QGZVFWFLSA-N 479.578 2.217 30 10 JEEE Cc1ccc(S(=O)(=O)NCCn2c(C3CCCC3)nnc2N2CCO[C@H](C#N)C2)s1 1761856108 FKCBYZZBNIWGNX-MRXNPFEDSA-N 450.590 2.013 30 10 JEEE CCCOc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCC(=O)NC(C)C)cc1OC 1764594386 FCPDCXRGWZODGN-SFHVURJKSA-N 456.547 2.386 30 10 JEEE CS(=O)(=O)N1CCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1771360925 GWOXUAFBAVOOGK-IAGOWNOFSA-N 484.504 2.008 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@H](CC(N)=O)C1 1772660463 CHKJZPPSOMTXET-QGZVFWFLSA-N 468.583 2.186 30 10 JEEE O=C(C1=C(O)C(=O)N(CCCN2CCOCC2)[C@H]1c1ccccc1C(=O)O)c1ccc2c(c1)OCO2 1862628609 CIPTWXKKQIWUGG-QFIPXVFZSA-N 494.500 2.414 30 10 JEEE CC(=O)c1ccc(NC(=O)[C@@H](CO)NC(=O)C2CCN([C@H](C#N)c3cccs3)CC2)cc1 1866867043 MAEOCFHACWTXAJ-WOJBJXKFSA-N 454.552 2.343 30 10 JEEE COc1cc(C(=O)NCC(=O)Nc2c(C#N)nnn2Cc2cccc(Cl)c2)cc(OC)c1OC 1870106792 GJTMOYARPFKADI-UHFFFAOYSA-N 484.900 2.246 30 10 JEEE COc1ccc(CCN2C[C@H](C(=O)Nc3c(C#N)nnn3Cc3ccc(C#N)cc3)CC2=O)cc1OC 1870109195 MPNOEFGTEPUACY-HXUWFJFHSA-N 499.531 2.117 30 10 JEEE C=CCn1cc(OCC(=O)NC)c(=O)cc1CNc1ccc(I)cc1 1871015802 AMJHBBPXIBNLJO-UHFFFAOYSA-N 453.280 2.376 30 10 JEEE C=CCN=c1nc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)[nH]c(=Nc2cccc(OC)c2)[nH]1 1871664772 XIHDNWDMFBDHEZ-UHFFFAOYSA-N 475.553 2.116 30 10 JEEE C=CCN=c1nc(N2CCN(c3ccccn3)CC2)[nH]c(=Nc2ccc(OC)c(Cl)c2)[nH]1 1871678036 YYMFJXIZVGCDPK-UHFFFAOYSA-N 452.950 2.441 30 10 JEEE C[C@H](NS(=O)(=O)CCN1C(=O)c2ccccc2C1=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2008405487 OZOJHVPTODFMNL-AWEZNQCLSA-N 490.412 2.324 30 10 JEEE C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@]1(C(=O)O)CC[C@@H](CNC(=O)OC(C)(C)C)C1 2059567928 GTCSVBHXUGMSSJ-GTQRCTGISA-N 453.536 2.167 30 10 JEEE N#Cc1cc(I)c(OCC(=O)CN2C(=O)c3ccccc3C2=O)c([N+](=O)[O-])c1 2218973542 LTSZDCCOMLUFIK-UHFFFAOYSA-N 491.197 2.315 30 10 JEEE CC1(C)OB(c2c[nH]nc2C(=O)NC2CC3(C2)C[C@H]3NC(=O)OCc2ccccc2)OC1(C)C 2255628543 JGXSZCMJOPPBOL-COYKAVQBSA-N 466.347 2.286 30 10 JEEE CN(CCOCCNC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2255644513 AXRIZKOAAWLCOA-UHFFFAOYSA-N 455.386 2.056 30 10 JEEE CC(C)(C)OC(=O)NCCCN(CCO)C(=O)c1ccsc1B1OC(C)(C)C(C)(C)O1 2255797327 FGHPJLIBGDNXPY-UHFFFAOYSA-N 454.398 2.397 30 10 JEEE Cn1ncc(C(=O)N[C@@H]2CCCN(C(=O)OCc3ccccc3)C2)c1B1OC(C)(C)C(C)(C)O1 2255822348 LMVPLQJQBWUIRC-GOSISDBHSA-N 468.363 2.250 30 10 JEEE Cc1ccc(S(=O)(=O)NC[C@@H](C)NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2255931351 JRKALDWHIDCRDV-OAHLLOKOSA-N 454.398 2.486 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@H]1NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2255933877 VAAUEZSXIZYGKV-JKSUJKDBSA-N 456.345 2.069 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1COCC[C@@H]1NC(=O)OC(C)(C)C 2267123082 ATDSRJFVHUKCKM-UONOGXRCSA-N 467.397 2.163 30 10 JEEE Cn1nc(C(=O)NC[C@@H]2C[C@@H]2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2267171479 KSODOFLHOCPYNA-QWHCGFSZSA-N 468.791 2.263 30 10 JEEE CCO[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)[C@H]1NC(=O)c1coc(B2OC(C)(C)C(C)(C)O2)c1 2267196633 RQMXEOHIDHVWQN-BFYDXBDKSA-N 450.341 2.379 30 10 JEEE CC1(C)OB(c2ccsc2S(=O)(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)OC1(C)C 2267372634 QZZHRNQEWFUJBK-GOSISDBHSA-N 478.445 2.227 30 10 JEEE CN(C[C@H]1CCN1C(=O)OC(C)(C)C)S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2267379038 PPNNZFNUXLDEQN-MRXNPFEDSA-N 467.397 2.011 30 10 JEEE CCC1(NS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CN(C(=O)OC(C)(C)C)C1 2267379458 RMSQMKBCXAOYTK-UHFFFAOYSA-N 467.397 2.059 30 10 JEEE Cc1nc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(F)(F)F)ncc1B1OC(C)(C)C(C)(C)O1 2268636037 YJHXDFAGYXWRTC-GFCCVEGCSA-N 460.262 2.478 30 10 JEEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 2268786977 SRCVZTKUVIUBGP-JOCHJYFZSA-N 466.409 2.378 30 10 JEEE Cc1c(C(=O)N(C)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281798578 KAJGTRLJFRORQF-MRXNPFEDSA-N 462.400 2.499 30 10 JEEE Cc1c(C(=O)N2CCCN(C(=O)OC(C)(C)C)C[C@H]2C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281983978 BDNUCNXYIJPYTO-OAHLLOKOSA-N 462.400 2.499 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1C[C@H](F)CN(C(=O)OC(C)(C)C)C1 2282012735 ZWRUBEINGYZPHP-GJZGRUSLSA-N 466.363 2.105 30 10 JEEE Cn1cc(C(=O)N2C[C@@H]3CC[C@]3(CNC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2282043245 MGIRXTAAJATLLV-WNSKOXEYSA-N 460.384 2.096 30 10 JEEE CC(C)(C)OC(=O)NCC1(F)CCN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)CC1 2282175610 MWQVDCMHAMLOQT-UHFFFAOYSA-N 464.347 2.245 30 10 JEEE COC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282190957 TYSSIHFDAHPLSZ-GOSISDBHSA-N 461.368 2.089 30 10 JEEE CC(C)(C)OC(=O)N1[C@H](CNC(=O)c2occc2B2OC(C)(C)C(C)(C)O2)C[C@H]2COC[C@H]21 2282528881 YHVUTOANPKDIIZ-YQQAZPJKSA-N 462.352 2.333 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@]2(C[C@@H](NC(=O)c3nscc3B3OC(C)(C)C(C)(C)O3)CO2)C1 2282528958 ZGKZKMGGEBHTQE-PEBXRYMYSA-N 479.408 2.341 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)n1 2282595740 YFYCIRMHCOOUQB-RDJZCZTQSA-N 460.384 2.284 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)[C@@H](NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C2 2282595822 ZAXVJPKNAAYHRZ-ZOBUZTSGSA-N 460.384 2.474 30 10 JEEE Cn1nc(C(=O)N2C[C@H]3CCC[C@]3(NC(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2282615774 RWDBGSBSFYARHE-CMJOXMDJSA-N 460.384 2.239 30 10 JEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCC23CCN(C(=O)OCc2ccccc2)CC3)n1 2282616567 DABGWFVZRVQVJR-UHFFFAOYSA-N 495.389 2.132 30 10 JEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCCC[C@H]2CCNC(=O)OC(C)(C)C)n1 2282618811 OUMBGEBIPUQHHO-HNNXBMFYSA-N 463.388 2.024 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](C1)C2NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2283055057 CMQVHNSMMSKDTG-XYPWUTKMSA-N 458.368 2.151 30 10 JEEE CC(C)(C)OC(=O)NC1CN(CC(=O)N2CCc3sc(B4OC(C)(C)C(C)(C)O4)cc3C2)C1 2283953492 TYGUXVGTLKCJTD-UHFFFAOYSA-N 477.436 2.141 30 10 JEEE CC(C)(C)OC(=O)NCCn1cnc(C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)c1 2283960382 XHUMELTWDNXWRS-UHFFFAOYSA-N 477.396 2.094 30 10 JEEE C[C@@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)N1CCc2c(cccc2B2OC(C)(C)C(C)(C)O2)C1 2283977078 LMVBJFPZXUCVCL-BEFAXECRSA-N 460.380 2.145 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCO[C@@H]1C(=O)NCCc1ccccc1B1OC(C)(C)C(C)(C)O1 2283978685 FOKJBRFYHNAZNJ-OALUTQOASA-N 460.380 2.327 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCOCC[C@@H]1C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2284022370 IVRSGOKUOLDYCZ-GJZGRUSLSA-N 481.424 2.378 30 10 JEEE COC[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)N(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2289506190 JDRIFHGXWQFGTH-RDJZCZTQSA-N 463.384 2.316 30 10 JEEE CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)C(=C(C)NCC(=O)NCc3ccco3)C(=O)[C@@]12C 2297591184 XZSGHKDSPHMYFB-VWLOTQADSA-N 480.473 2.068 30 10 JEEE CC[C@H](C)N1C(=O)C(=Cc2c(C)c(C#N)c(=O)n(CC)c2N2CCN(CCO)CC2)SC1=S 2314425995 GFFWPVXVOCCSQQ-HNNXBMFYSA-N 489.667 2.162 30 10 JEEE CC(C)(C)OC(=O)N(CCCO)CCC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2319848712 ADTPKDKBJHKVGS-UHFFFAOYSA-N 455.386 2.390 30 10 JEEE CCCOC(=O)CSc1nnc(COC)n1N=Cc1cc2c(cc1[N+](=O)[O-])OCCO2 2331613325 BCYRCIBQSKFVIV-UHFFFAOYSA-N 451.461 2.031 30 10 JEEE C#CCC[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 2333917969 QVHFDHUWDUOOKQ-ZWJWXYIHSA-N 465.591 2.273 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(C(=O)Nc3ncc(B4OC(C)(C)C(C)(C)O4)s3)CO[C@@H]1C2 2334389225 GSHLVIXEUGVJLC-ZNLKAECVSA-N 465.381 2.453 30 10 JEEE COCCN(C(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1)C1CN(C(=O)OC(C)(C)C)C1 2337398657 UCEHCKTVOBKODO-UHFFFAOYSA-N 467.397 2.150 30 10 JEEE CC(C)(C)OC(=O)NC[C@H](CO)C(=O)Nc1cc(F)c(F)cc1B1OC(C)(C)C(C)(C)O1 2351768695 AUWJQURJJDDLAJ-GFCCVEGCSA-N 456.295 2.336 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)OC(C)(C)C 2362355081 YASVWLOJYAKPJX-XHSDSOJGSA-N 460.384 2.095 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@H]2C[C@]1(CNC(=O)OC(C)(C)C)C2 2366380227 LZAATLYBCQCZOA-GUJKFWMDSA-N 460.384 2.239 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)N(C)CC(=O)Nc3ccccc3SC)cc2C1=O 9701768 WWKNSZIRULZPFF-UHFFFAOYSA-N 481.530 2.444 30 10 JEEE CCOC(=O)[C@H]1CCCN(C(=O)c2ccc(NC(=O)Cn3c(C)cc(C)c(C#N)c3=O)cc2)C1 21354776 BAKJYSUAYSVROP-IBGZPJMESA-N 464.522 2.391 30 10 JEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc3cc(OC)ccc3c2)c(=O)n1C[C@@H]1CCCO1 489592864 AQPRSXCTTDAMDU-NRFANRHFSA-N 475.570 2.056 30 10 JEEE C=CCNC(=O)CN1CCN(C(=O)[C@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)CC1 512709675 DHVKWJGVHAYXPI-GOSISDBHSA-N 453.370 2.044 30 10 JEEE Cc1cc(C)c(C#N)c(SC2=C(N3CCCC3)C(=O)N(c3ccc(S(N)(=O)=O)cc3)C2=O)n1 526694215 GFWYJCWZYHGDCK-UHFFFAOYSA-N 483.575 2.190 30 10 JEEE C#CC[C@@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 757537555 AXQZLDANZPVCGN-PKTZIBPZSA-N 472.501 2.452 30 10 JEEE CC1CCC(C#N)(N(C)C(=O)[C@H](C)OC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 824796360 GYNVSTUVKDLXCW-OTQYULQBSA-N 477.583 2.184 30 10 JEEE Cc1nnc(CSc2nnc(NC(=O)CSc3n[nH]c(NN=Cc4cccnc4)n3)s2)o1 1084446414 VGFFOAUFQRAWGX-UHFFFAOYSA-N 489.572 2.212 30 10 JEEE C#CCN(Cc1ccccc1)C(=O)c1cc(S(=O)(=O)N2CCOCC2)cc(OC)c1OC 1271943995 BFESZQUBYTXDJF-UHFFFAOYSA-N 458.536 2.000 30 10 JEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@](O)(Cc2cccc(Cl)c2)C1 1286340903 AFPADHBMHNXIGB-IERDGZPVSA-N 466.007 2.139 30 10 JEEE C#CCCCn1c(-c2ccc(F)cc2Br)nnc1N1CCO[C@@H](C(=O)NC)C1 1286344191 FJRTZKXVHJZCSZ-MRXNPFEDSA-N 450.312 2.211 30 10 JEEE C#CCN(c1nnc(-c2cn(C)c3ccccc23)n1C[C@](C)(O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1286390055 VXGNQNGGTKJVAC-KOSHJBKYSA-N 469.611 2.471 30 10 JEEE C#CCN(c1nnc(Cn2ccc3ccccc32)n1C[C@](C)(O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1286393831 SEXADAGUKRGRGU-YKSBVNFPSA-N 469.611 2.315 30 10 JEEE C#CCN(CC#CC)c1nnc(COc2cc(C)cc(C)c2)n1CCN1CCN(C(C)=O)CC1 1286433492 FYIHPQXMMRAHEZ-UHFFFAOYSA-N 462.598 2.101 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@](C)(O)C(C)C 1286454248 HXCSIGJISPGZSJ-IIBYNOLFSA-N 451.568 2.074 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCN1CCC[C@H]1C 1286462150 DKHYZUFMCKZYBX-LJQANCHMSA-N 463.586 2.245 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H](c2ccsc2)N(C)C)CC1 1286472787 KVUYXUSDFNCILZ-XUZZJYLKSA-N 472.659 2.438 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2CCc2nccnc2C)CC1 1286491242 JZKDLWLYWCHIGA-UHFFFAOYSA-N 461.545 2.315 30 10 JEEE C=C1CCN(c2nnc(-c3nn(C(C)C)c(=O)c4ccccc34)n2CCCNS(C)(=O)=O)CC1 1286645186 XYZULPRJHJBADE-UHFFFAOYSA-N 485.614 2.332 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCCCN2CCCC)CC1 1286647098 ZATYTROBUOIEKU-SFTDATJTSA-N 480.679 2.422 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(F)cc(F)c(F)c1F 1286758008 AJOIVEOYQDVTFX-INIZCTEOSA-N 489.495 2.394 30 10 JEEE C=CCOc1ccc(Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCNC(=O)[C@@H]2CC)cc1 1286797581 ZKLLNYBEHFUSPM-JBACZVJFSA-N 455.559 2.330 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CCC(=O)NC(C)C)C1 1286804281 MESQKFHIJONAQY-GOSISDBHSA-N 489.646 2.243 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(OCCC)nc2)C1 1286808636 CTYGVWYMVFQZLV-OALUTQOASA-N 461.588 2.194 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC(C(=O)c2ccccc2)CC1 1286820367 KGGZKMQPBOUTKZ-HXUWFJFHSA-N 458.584 2.482 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCCN(C(C)=O)CC1 1286821819 VNKYBGKKIJFKJS-UHFFFAOYSA-N 466.007 2.182 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@](C)(CC)C1 1286822988 QEZXMZMPNIEGDW-JOCHJYFZSA-N 458.588 2.123 30 10 JEEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cc(F)cc(F)c2)CC1 1286823602 OYZXSVNGKUBJNZ-OAHLLOKOSA-N 486.614 2.412 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1286824492 ZHHQVULSGQHEBO-PZJWPPBQSA-N 487.626 2.132 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCN(c2ccccc2F)C1 1286967996 IFTXGZHLJIDVDR-KZNAEPCWSA-N 460.579 2.442 30 10 JEEE CC(C)C[C@@H](Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@@H](C#N)C1)N(C)C 1287329079 AQLHNRHTYZMHHJ-SFTDATJTSA-N 467.622 2.157 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCC(=O)N1CCCCC1 1300298693 GOVPBUYVWALCNW-KRWDZBQOSA-N 457.604 2.099 30 10 JEEE C#CCN(c1nnc(C2CCCC2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O)[C@@H]1CCS(=O)(=O)C1 1300492653 OJHIYRSSHMHFMZ-PZJWPPBQSA-N 487.601 2.046 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1Cc1cccc(CN2CCO[C@@H](C)C2)c1 1300671722 NMEOUQVUYHHXGM-REWPJTCUSA-N 453.587 2.137 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1Cc1cccnc1OCCOC 1300779286 UIPVGDZZCMOIJL-XMMPIXPASA-N 461.526 2.386 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC(F)F)c2)n1CCS(=O)(=O)N(C)C 1300788501 BLOREFISYDJKJQ-HXUWFJFHSA-N 453.515 2.430 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1300875317 OQHKOMIJDGHTDF-WDSOQIARSA-N 467.636 2.191 30 10 JEEE C=CCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC(CC(=O)NC)CC2)cc1 1301526400 NNYDCCZQQLTMJZ-HXUWFJFHSA-N 452.559 2.195 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@](C)(C#N)C1 1301576514 WHJHKRHUUOLWGZ-OAQYLSRUSA-N 477.612 2.079 30 10 JEEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 1301595107 NGTMYAIHGDVNHQ-AWEZNQCLSA-N 466.589 2.278 30 10 JEEE CN1CCN(Cc2ccc(CNC(=O)N3CCN(c4ccc(F)cc4C#N)CC3)cc2)CC1 1311494088 CUDHXQFRNSGBGO-UHFFFAOYSA-N 450.562 2.477 30 10 JEEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CCN2[C@@H](C)CC[C@H]2C)CC1 1313550264 HIPAIZLLRHRHAY-OYRHEFFESA-N 478.645 2.290 30 10 JEEE COCCN(C)CCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCO[C@H](C#N)C1 1316067820 BTBVHSAYPBUVQR-MRXNPFEDSA-N 479.379 2.023 30 10 JEEE C#CCCCCn1c(COc2ccccc2OC)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1358917151 IGFMLEPEAKZZSW-UHFFFAOYSA-N 482.585 2.243 30 10 JEEE C#CCN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCCC=C)[C@H]1CCS(=O)(=O)C1 1358955786 TYWWRPDLZZROEB-IBGZPJMESA-N 476.002 2.454 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Br)n1Cc1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 1358959226 FCMMZWQQIXQQGK-INIZCTEOSA-N 489.399 2.116 30 10 JEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1C[C@]1(C)CCCO1)[C@@H]1CCS(=O)(=O)C1 1358965785 BDYRNZMFYIZQFK-YKSBVNFPSA-N 472.611 2.268 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(C)C)n1CC1CCS(=O)(=O)CC1 1359015129 JEIGVMZUYHNFCM-UHFFFAOYSA-N 461.563 2.020 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnn(C)c2)n1C[C@H](C)CN1CCOCC1 1359015731 CLVAVHKLPGVYLU-LJQANCHMSA-N 451.550 2.426 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(CC)cc3)n2CCN2CCOC[C@@H]2C)CC1 1359042494 ITTVGTSMMJUBHK-FQEVSTJZSA-N 464.614 2.194 30 10 JEEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1359058532 HKXSBXSQNBRURL-UHFFFAOYSA-N 481.670 2.155 30 10 JEEE C#CCSCCn1c(COc2ccccc2F)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1359061048 PJJNVDDTLPQRSR-NRFANRHFSA-N 464.588 2.378 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1359295236 VIYGEZFIWHXKEM-RDPSFJRHSA-N 493.656 2.189 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCCN(C(=O)c2ccccc2F)CC1 1359302556 LGJNXMSNAOQEBW-UHFFFAOYSA-N 477.544 2.058 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@H](n3cncn3)C2)cc1 1359307040 YTLYEHTXJDSWAE-IBGZPJMESA-N 450.547 2.462 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(N(C)C)cc2C)C1 1359313948 UDWGMCGKXRULSM-FXAWDEMLSA-N 462.620 2.092 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCn2nc(C)nc2C1 1359327873 NAYNNPAQUDLVAT-OAHLLOKOSA-N 475.550 2.078 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@@H](C)[C@H]1C 1359328224 XIKJLJUOMFPGPA-NVXWUHKLSA-N 480.660 2.382 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC(CN2C[C@H](C)O[C@H](C)C2)CC1 1359330438 ROSQFYIMHAPFEG-KDURUIRLSA-N 476.647 2.200 30 10 JEEE Cc1ccc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@H](S(C)(=O)=O)C2)cn1 1492200550 DUALDGYMWAZILS-FQEVSTJZSA-N 452.540 2.104 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1[C@H]1C[C@H](c2ccccc2F)C1 1507537447 IIRBEQNONXZARB-OGNFBWPZSA-N 461.563 2.327 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCCCC1(F)F)[C@@H]1CCS(=O)(=O)C1 1507631387 OZSFFPZYDBZRIO-DLBZAZTESA-N 452.531 2.131 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCN/C(O)=C1/N=CC=CC1=O 1507643406 VFOVYMRTDWYPLR-JEBJBBSMSA-N 462.485 2.156 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1[C@H](C)CCN1C(=O)OC(C)(C)C 1507666582 CNNDWHZMETUJKC-CEXWTWQISA-N 454.575 2.338 30 10 JEEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](C)CN1CCOCC1 1507691884 OXKGXTDBUQPZAQ-WOJBJXKFSA-N 476.622 2.014 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CCOc2ccccc2)nnc1N1CCN(C(=O)NC)CC1 1507804290 FPABRLHUFDEGHE-UGKGYDQZSA-N 454.575 2.342 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1507804887 MNBRDCJOAMQNIB-LQWHRVPQSA-N 494.687 2.381 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@@H](OCCOC)C1 1508074283 RQUYZDWJJBOPGD-OAHLLOKOSA-N 482.354 2.391 30 10 JEEE C=CCNC(=O)Cn1c(Cc2c[nH]c3ccccc23)nnc1N(C)CCN1CCOC(C)(C)C1 1508083867 DEJHICYWHYFDSC-UHFFFAOYSA-N 465.602 2.199 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1508139481 APGHLMPJGVLNFS-FQEVSTJZSA-N 479.647 2.349 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1508141065 LAPHIMXRKQSUQF-HSZRJFAPSA-N 498.653 2.357 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCS[C@@H](C)C1 1508141803 ZSMMHLVWDMRUPQ-AWEZNQCLSA-N 460.585 2.136 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1508143127 DTAVCMADTUQIKV-FIKGOQFSSA-N 466.629 2.304 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(Cc2cc(F)ccc2OC)CC1 1508147820 LWXWICHJIPSXMX-OAQYLSRUSA-N 493.605 2.200 30 10 JEEE COC(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(C(=O)N(C)C)CCCC2)C1 1517680465 FDEZFEJBFRDLFQ-LJQANCHMSA-N 480.569 2.377 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(C(N)=O)CCOCC1 1539012767 KQUIIDFMQGZTAE-ROUUACIJSA-N 474.606 2.133 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1cccc2c1OCCCO2)[C@@H]1CCS(=O)(=O)C1 1539203294 PBMRVOZOAONATR-GOSISDBHSA-N 458.584 2.412 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCOCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1539219397 CDIYAUUUHUXQKJ-RTWAWAEBSA-N 458.584 2.363 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@H](C)Oc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1539224188 CYOCSBLYFWDXMB-RXVVDRJESA-N 483.569 2.497 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCC(=O)NC1CCCCC1 1539257486 KJERNRFESRWRCZ-UHFFFAOYSA-N 471.565 2.104 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](c1ccc(C)cc1)N1CCOCC1 1539318593 UJNYVASJNYKLGH-GOTSBHOMSA-N 460.582 2.074 30 10 JEEE C#CCSCCn1c(-c2ccccc2OC)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1539504771 AAWXZCIZYHOKDF-LJQANCHMSA-N 468.583 2.087 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1539637481 QVSXFGDYMVRSTI-WDYCEAGBSA-N 451.618 2.238 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC2(CCN(C)C2=O)CC1 1540900351 SGZCSAMPWVJRGQ-UHFFFAOYSA-N 479.006 2.043 30 10 JEEE CCOC1CC(O)(Cn2c(CSc3ccccc3OC)nnc2N2CCO[C@H](C#N)C2)C1 1548042543 CXAIOSBGMATVJI-PSCUFVCCSA-N 459.572 2.238 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1CN(CC(C)C)CCO1 1587569313 WPDSXYJGCADCFQ-UYAOXDASSA-N 487.674 2.361 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1587631758 FWUKEOCTUVHJCB-OTWHNJEPSA-N 494.662 2.132 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OCC)CCOC3)n2CC[C@@H]2CCOC2)c1 1587689641 OAWSALRXXLSNSW-NLFFAJNJSA-N 467.570 2.413 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H](C)CN1CCN(CC)CC1 1588093819 QTVYENJKDIDZNA-SFHVURJKSA-N 472.435 2.382 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1588185854 OKUBJEQHHSMCDK-AOJNWGRGSA-N 497.619 2.128 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCN1C[C@H](C)O[C@@H](C)C1 1588193298 AKYMANDDOVKVBX-SFTDATJTSA-N 483.638 2.311 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@]2(N(C)C)CCSC2)CC1 1588780274 KDRSHHISVXUXOY-XMMPIXPASA-N 470.643 2.155 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@](C)(O)CCC)CC1 1588876620 DDEBUUFYIQBWLK-GLDPYIMESA-N 460.623 2.355 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](c2cccs2)N2CCCC2)CC1 1588884608 GZKVYGPYKDEEBN-HXUWFJFHSA-N 497.669 2.281 30 10 JEEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1589009146 ZKNFHFPNISFPNF-UHFFFAOYSA-N 489.667 2.410 30 10 JEEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1589070526 URBDLFKDJJOKLT-UXHICEINSA-N 474.675 2.108 30 10 JEEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1589288023 HTODPDPKKXDGDP-UHFFFAOYSA-N 468.400 2.007 30 10 JEEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1589296382 RHTRNPABXNNDLF-CXAGYDPISA-N 464.430 2.438 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(CCOC)[C@H](C)C1 1589567416 DLEGWIOGPUUGAY-XPNTWCBSSA-N 457.623 2.278 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCS[C@@H](C)C1 1595650257 ZLZBZOOUKXMXKB-HOTGVXAUSA-N 451.618 2.443 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCc2ccc(S(C)(=O)=O)cc2)C1 1595714215 MBAMGVUWHODBFB-LJQANCHMSA-N 456.572 2.106 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1595778051 UZRIFODUSOUDJH-SFHVURJKSA-N 485.614 2.429 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2OC)nnc1N1CC(C)(C)OC[C@@H]1C 1595830335 AGZPBNLZBPDMIL-KRWDZBQOSA-N 464.588 2.470 30 10 JEEE C=CCSCCn1c([C@H]2CCOC2)nnc1N1C[C@@H](C(=O)OC)[C@H](CNC(=O)OC(C)(C)C)C1 1595884828 USNWVBLIEACBRG-RCCFBDPRSA-N 495.646 2.451 30 10 JEEE N#Cc1cc(F)ccc1N1CCN(C(=O)c2cc(Br)ccc2-n2cnnn2)CC1 1635887559 CIVVFTGTEVOVCI-UHFFFAOYSA-N 456.279 2.398 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc(Br)cc1 1689828277 MSTSLVRZRTZWIR-UONOGXRCSA-N 454.394 2.351 30 10 JEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCC(=O)NC1CCCCC1 1689949028 NUWRZQUUMFCGGI-UHFFFAOYSA-N 471.631 2.455 30 10 JEEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1Cc1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1689996230 FMRUBUMUUUPOCT-GOSISDBHSA-N 485.566 2.146 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCN1CCOC[C@H]1C 1690107876 GMXASWHMMRBBKO-UXHICEINSA-N 476.622 2.157 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CCCN2C[C@@H](C)O[C@H](C)C2)CC1 1690144048 KIBONSVWVJKFLP-NHCUHLMSSA-N 479.629 2.114 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2Cc2ccc(OC)nc2)CC1 1690150689 QKRWACCDMPWJPX-UHFFFAOYSA-N 450.568 2.348 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(OC(F)F)cc2)CC1 1690150754 TWZPXMXUKRDLBR-UHFFFAOYSA-N 486.523 2.016 30 10 JEEE C#CCSCCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1690185237 VOMNBRFTFVXMON-SFHVURJKSA-N 452.577 2.376 30 10 JEEE C=CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1690625933 HEJBXSYQLJVCFZ-LJQANCHMSA-N 461.588 2.363 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H](C)c1cc2ccccc2o1 1690659644 ZAVOZJZNRYCHEI-GJZGRUSLSA-N 460.560 2.134 30 10 JEEE C=CCSCCn1c([C@@H]2CCCOC2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1690744409 ONIFSWUFZLRVFW-NNWRFLSQSA-N 476.691 2.470 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc(Cc2ccncc2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1691005593 CHZXEHCTHQZCKV-IHPCNDPISA-N 451.554 2.206 30 10 JEEE CC(C)(C)NC(=O)CCn1c(Cc2ccccn2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1691208498 FEEHDPSSWHYJPQ-UHFFFAOYSA-N 473.585 2.162 30 10 JEEE CC(C)C(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCSC2)CC1 1691407955 GDHVRSFSTISOJE-QHCPKHFHSA-N 454.600 2.379 30 10 JEEE CCOc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCN2CCCCC2=O)cc1OC 1696125449 FAZYIRLAPNFHCR-LJQANCHMSA-N 468.558 2.484 30 10 JEEE CS(=O)(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC[C@H](O)C2)CC1 1698301421 BHRNLEIXAPCBMA-OALUTQOASA-N 473.599 2.293 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCc2nccn2C1 1705481944 PFVRZTNQIRIDQH-QZTJIDSGSA-N 467.599 2.112 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@H](C)CN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1705565965 KYIPVDXKJHXBTI-TZIWHRDSSA-N 470.643 2.397 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@](C)(O)c1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 1705567409 XTKJESRVWWCZTE-XMSQKQJNSA-N 473.986 2.461 30 10 JEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(N3CCOCC3)CCCCC2)CC1 1705763488 WMHZWGNRUXVIDY-LJQANCHMSA-N 466.652 2.080 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CCC[C@@H](C(N)=O)C1 1705896452 NCZHMGWWWJOISL-GFCCVEGCSA-N 481.782 2.365 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1705899130 ITUOMKZUWIVXKE-IRXDYDNUSA-N 473.375 2.257 30 10 JEEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@H](c2nccs2)C1 1705905205 NNTLBCCWTUHQOO-KRWDZBQOSA-N 460.510 2.484 30 10 JEEE C=CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1705941782 VZQXQZQNHLTPON-MRXNPFEDSA-N 458.588 2.438 30 10 JEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](CN2CCCCC2)C1 1705946618 MLGYZHKTFDSHHP-RTBURBONSA-N 453.678 2.412 30 10 JEEE C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CCC(=O)NC(C)(C)C 1706081139 BQYKVXQVVWSLNJ-HOTGVXAUSA-N 460.604 2.379 30 10 JEEE CC(C)CN1CCO[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCOC[C@@H]2C)C1 1706517673 HOIJLFFMYREYHH-UGKGYDQZSA-N 454.575 2.311 30 10 JEEE CC(C)N(C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1706553976 ANARCAGQIKKIDP-NRFANRHFSA-N 451.575 2.489 30 10 JEEE CS(=O)(=O)CCCn1c(COc2ccc(F)cc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1712698294 GTTQHQIGENVYGH-UHFFFAOYSA-N 499.572 2.024 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1CCc1n[nH]c(C)n1)[C@H]1CCS(=O)(=O)C1 1722362192 MOWBOENLEAWDAI-HNNXBMFYSA-N 477.953 2.034 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@@H](C)SC)[C@@H]1CCS(=O)(=O)C1 1722370639 PPKXXVXOXRZRKZ-NVXWUHKLSA-N 452.577 2.374 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1722372190 QURLHGNPNNPNEF-NRFANRHFSA-N 470.574 2.148 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C(F)F)c1 1722413345 LLDNYDUJNXEIQW-QGZVFWFLSA-N 453.515 2.056 30 10 JEEE C=C(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1722522945 NVMJPVFGMNYGKM-UHFFFAOYSA-N 464.574 2.160 30 10 JEEE C=CCC(C)(C)Cn1c(N2CCC([C@@H]3NC(=O)N(C)C3=O)CC2)nnc1[C@]1(OCC)CCOC1 1722593514 UEXOBINKRCMVHW-UUOWRZLLSA-N 474.606 2.299 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1722732076 UPYARNVQJOZJIT-HYBUGGRVSA-N 490.626 2.459 30 10 JEEE C=CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1722734603 HUCNUDXQZBQPKR-KRWDZBQOSA-N 458.588 2.438 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1722737206 WXAZMGQCIVGKHY-RTXPOLOASA-N 482.647 2.182 30 10 JEEE CCc1ccc(-c2nnc(N3CCN(c4c(C#N)c(C)nn4C)CC3)n2C[C@@H](COC)OC)cc1 1727384129 BRVRSHQRZWLALG-NRFANRHFSA-N 478.601 2.409 30 10 JEEE CN(C)C1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(S(C)(=O)=O)CC2)CCC1 1729327248 FOAYRFFXRAJHQS-UHFFFAOYSA-N 472.615 2.226 30 10 JEEE CN(C)S(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H]1C1CCC1 1729344435 FHSRDYOBODLAKQ-FQEVSTJZSA-N 458.588 2.389 30 10 JEEE C#CCN(c1nnc(C2CC2)n1Cc1ccc(NC(=O)NC(C)C)cc1)[C@H]1CCS(=O)(=O)C1 1740623139 OZCFFGNYKAUIAN-FQEVSTJZSA-N 470.599 2.360 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1nc(C)c(C)s1)[C@H]1CCS(=O)(=O)C1 1740623151 PEROLVISTHFFCA-KRWDZBQOSA-N 456.597 2.397 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCO[C@@H]1CCCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1740624702 KZKLVIMDJFKCKF-VLCRHTCISA-N 488.658 2.362 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCc2ccc(F)c(F)c2F)CC1 1740690674 ZJTZXGGXEWTANH-UHFFFAOYSA-N 469.471 2.341 30 10 JEEE C=C(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1740783913 ZYBQFLICJGBQFP-PMACEKPBSA-N 468.650 2.342 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1nnc(C)s1 1740937953 UHTJMBITOYKIHY-MRXNPFEDSA-N 462.601 2.411 30 10 JEEE C=CCn1c(COc2ccccc2OC)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1740948964 WOBAZOQJXCZROC-CTNGQTDRSA-N 468.602 2.431 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CCC[C@H](n2cncn2)C1 1740964497 PQWMKHLRORTXJV-IBGZPJMESA-N 450.547 2.155 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CC[C@](C)(C(N)=O)C2)nnc1C1(c2ccccc2)CCC1 1740993899 JQYCGNUULWDLDM-QFIPXVFZSA-N 457.600 2.051 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 1740994190 KAHIKGUOWQFFNH-SFHVURJKSA-N 450.527 2.361 30 10 JEEE CC(C)CC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1741501472 AOFAIJFJMYHCLN-NLFFAJNJSA-N 481.601 2.472 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1C[C@@]1(O)CCSC1 1741674293 AZHOCEFDPQJANA-QFIPXVFZSA-N 490.033 2.136 30 10 JEEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2cccc(F)c2)C1 1741983008 DFZYDLJETLTRPB-SIKLNZKXSA-N 476.578 2.123 30 10 JEEE C[C@H]1CN(CCCn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](CC(N)=O)C2)CCCO1 1743335509 DGODLNNZXGRMPL-FPOVZHCZSA-N 465.602 2.409 30 10 JEEE COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOc2ncccc2F)CC1 1748344803 DQVQTKKZRYZBQD-UHFFFAOYSA-N 451.462 2.318 30 10 JEEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1748907489 VZDTVURPBHRMJS-GOSISDBHSA-N 460.542 2.053 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cnccc1OC 1748944823 GFGJULQFHPUYKA-GOSISDBHSA-N 469.542 2.411 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOc2ncccc2F)CC1 1749006498 PRJLXLNQHZJOAG-UHFFFAOYSA-N 473.512 2.396 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCS(=O)(=O)CC1 1749121898 QIRZPDNUMHHECJ-OXJNMPFZSA-N 492.598 2.187 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1C(F)(F)C12CCC2 1749159144 PRKWBCDCWDFLTQ-CVEARBPZSA-N 459.563 2.449 30 10 JEEE C=C(C)COCCn1c(Cc2ccccc2F)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1749231015 AOEUMMREQXKCRB-UHFFFAOYSA-N 465.595 2.461 30 10 JEEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1749235988 YCOQJMCSSNSXIA-HXUWFJFHSA-N 489.621 2.462 30 10 JEEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 1760162189 NUIHQBMBVRLEKJ-SFHVURJKSA-N 459.620 2.125 30 10 JEEE C#CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CCc2nn(C)c(=O)cc2C1 1760274191 KFSAIDAIDOBQMC-UHFFFAOYSA-N 488.415 2.069 30 10 JEEE C#CCSCCn1c(-c2ccc3ccccc3n2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1760277909 UXAWLOYWVWITHV-YLJYHZDGSA-N 451.552 2.220 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CC(=O)Nc1c(C)cccc1C 1760290198 YQSLBIWHFZJFPG-HTAPYJJXSA-N 458.588 2.136 30 10 JEEE C=C(C)COCCn1c(-c2ccccn2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1760354458 BIIUHHJZCPQGPJ-QFIPXVFZSA-N 461.570 2.281 30 10 JEEE C=C(Cl)Cn1c(N2C[C@@H]3[C@H](C2)[C@H](NC(=O)OC(C)(C)C)CS3(=O)=O)nnc1C(C)(C)C 1760388941 YEEMIFXKEATZOO-RBSFLKMASA-N 474.027 2.455 30 10 JEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Oc1ccccc1F)C1CC1 1760477045 ODFHFOVBZLQIQL-OXQOHEQNSA-N 479.578 2.372 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccccc2Cl)C1 1760542567 IMUNIGZCBJOUOT-PKOBYXMFSA-N 482.006 2.094 30 10 JEEE CC[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCCN(c2ccccc2C#N)CC1)OC 1764274262 CHEVPJWXOIODAY-HXUWFJFHSA-N 451.575 2.414 30 10 JEEE N#CCCN(CC1CC1)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCCCS1(=O)=O 1771543699 DPJCSAXAIZGOQD-QGZVFWFLSA-N 476.628 2.367 30 10 JEEE COc1cc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCN2CCOCC2)ccc1O 1862594450 SXMGTDYSIYKSHE-NRFANRHFSA-N 454.479 2.017 30 10 JEEE CC(=O)Nc1cccc(NC(=O)[C@@H](CO)NC(=O)C2CCN([C@H](C#N)c3cccs3)CC2)c1 1866866695 JLDNMAIDJUPQEG-WOJBJXKFSA-N 469.567 2.099 30 10 JEEE CN(Cc1ccccc1)c1nc(NC(=O)c2cccc(C#N)c2)n([C@H]2CCS(=O)(=O)C2)n1 1870022172 MUFFWCMLMWKPIO-IBGZPJMESA-N 450.524 2.398 30 10 JEEE COc1ccc(CCN2C[C@@H](C(=O)Nc3c(C#N)nnn3-c3ccc(C)cc3)CC2=O)cc1OC 1870148763 BYYVULGXPDSAJG-SFHVURJKSA-N 474.521 2.494 30 10 JEEE Cc1cc(Cl)ccc1-n1nnc(C#N)c1NC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 1870155432 MUUBWAPJBMLWHA-UHFFFAOYSA-N 465.813 2.244 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCCCO)cn1CCc1ccc(C)cc1 1870355123 IOFLHMCJWBGZMT-UHFFFAOYSA-N 453.583 2.451 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NC[C@H]2CCCO2)cn1CCCN(CC)CC 1870543998 GLDVMPRYQGGPQR-HSZRJFAPSA-N 474.646 2.428 30 10 JEEE C#CCOc1cn(CCCN2CCCC2=O)c(CNc2ccc(OC)c([N+](=O)[O-])c2)cc1=O 1871005094 OEOGUWOJNSZHFK-UHFFFAOYSA-N 454.483 2.402 30 10 JEEE COc1ccc(CCNC(=O)c2nonc2OCC(=O)Nc2sc3c(c2C#N)CCC3)cc1OC 1872707454 SGNKNVWEJOZMRT-UHFFFAOYSA-N 497.533 2.499 30 10 JEEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)N3CCN(c4ccc(-n5cccn5)nn4)CC3)n[nH]2)c1C 1890355198 JKLWNFZTZCQYKQ-UHFFFAOYSA-N 472.557 2.404 30 10 JEEE CC(C)(C)OC(=O)N1CCSC[C@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2060623207 JRXQOAHZOMVANT-AWEZNQCLSA-N 450.370 2.067 30 10 JEEE CC(C)(C)OC(=O)NC[C@H](O)CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)s1 2247822559 GJLULYQUPHXTOI-LLVKDONJSA-N 460.789 2.316 30 10 JEEE CC1(C)OB(c2csnc2C(=O)N[C@H]2COCCN(C(=O)OCc3ccccc3)C2)OC1(C)C 2255537725 ABQMSRKCCAKWEV-QGZVFWFLSA-N 487.387 2.210 30 10 JEEE CC(C)(C)OC(=O)N[C@]12C[C@H]1CN(S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)C2 2255795559 HOTJTOFWVSDAJJ-RBZFPXEDSA-N 470.422 2.335 30 10 JEEE CC1(C)OB(c2c[nH]c(C(=O)N[C@@H]3COCCN(C(=O)OCc4ccccc4)C3)c2)OC1(C)C 2255852871 JKTDBULUZLTTEQ-IBGZPJMESA-N 469.347 2.081 30 10 JEEE CCc1nc(C(=O)N[C@@H]2COC[C@H]2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2267164406 RFDKPJWUEXNGAH-CHWSQXEVSA-N 467.397 2.027 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2267362481 SPXDVSWWEXDQDZ-OAHLLOKOSA-N 470.372 2.413 30 10 JEEE Cc1nc(S(=O)(=O)NC(C)(C)COCc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)n1C 2267466875 IMDYDCINGVVEGH-UHFFFAOYSA-N 463.409 2.301 30 10 JEEE CC(C)(C)OC(=O)NC[C@]1(O)CCCN(C(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267486103 KKWWETSQMJBFKO-JOCHJYFZSA-N 450.341 2.071 30 10 JEEE CC(C)(C)OC(=O)NC[C@H](CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1)C(F)(F)F 2267512951 ROQJTENZSWGMPS-NSHDSACASA-N 462.278 2.142 30 10 JEEE C[C@@H]1COC[C@H](C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)N1C(=O)OC(C)(C)C 2268646484 JVZJORGTYAAJED-ZIAGYGMSSA-N 467.397 2.083 30 10 JEEE C[C@H](c1nscc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C 2268711404 NHUPZKJLGKPMRV-UKRRQHHQSA-N 469.413 2.237 30 10 JEEE CC(C)(C)OC(=O)N[C@H](C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)[C@@H]1C[C@@H]2C[C@@H]2C1 2268720815 BMHYEFLKERUVIM-DGAVXFQQSA-N 464.397 2.137 30 10 JEEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@H](COCc3ccccc3)CC(=O)O)s2)OC1(C)C 2269040384 LTKSISVMTROKGU-INIZCTEOSA-N 481.401 2.386 30 10 JEEE Cc1c(C(=O)N[C@H]2C[C@@H](C)CN(C(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281806672 LDXOYGDQKABLCH-ZBFHGGJFSA-N 462.400 2.403 30 10 JEEE Cn1cc(C(=O)N2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)c(B2OC(C)(C)C(C)(C)O2)n1 2281975732 QYLZBHXOWHAAOK-CVEARBPZSA-N 460.384 2.048 30 10 JEEE Cc1c(C(=O)N2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281990948 UGWHXBMFCWCQGH-JKSUJKDBSA-N 460.384 2.109 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC3(CC3)C2)n1 2282045777 BOZONJUJUUMOGY-HNNXBMFYSA-N 460.384 2.239 30 10 JEEE CN(C[C@H]1CCCCN1Cc1ccccc1)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282191247 MMTVIJSUBZYKIT-LJQANCHMSA-N 453.396 2.241 30 10 JEEE C=C(CS(=O)(=O)N1CCC(C2(O)CN(C(=O)OC(C)(C)C)C2)CC1)B1OC(C)(C)C(C)(C)O1 2282502220 IAYXSCMBWWGVSW-UHFFFAOYSA-N 486.440 2.198 30 10 JEEE COC1(CCNC(=O)OC(C)(C)C)CN(C(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)C1 2282515937 YDBNNYZYUITBJM-UHFFFAOYSA-N 461.368 2.137 30 10 JEEE CC(C)(C)OC(=O)N1CCC(CO)(CNC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)CC1 2282520735 UYTYMTWJUADJFF-UHFFFAOYSA-N 481.424 2.182 30 10 JEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1CO 2282559491 JISVEZQCYPIOHR-RDJZCZTQSA-N 464.368 2.235 30 10 JEEE CCCN(C(=O)c1c(C)nn(C)c1B1OC(C)(C)C(C)(C)O1)C1CN(C(=O)OC(C)(C)C)C1 2282589852 TVJGXXANZHXEIC-UHFFFAOYSA-N 462.400 2.499 30 10 JEEE Cc1c(C(=O)N2C[C@H]3CC[C@H]2[C@H]3NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282595143 PKTJSEYIJMCPKL-VYDXJSESSA-N 460.384 2.155 30 10 JEEE CC[C@H]1CC[C@H](NC(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)CN1C(=O)OC(C)(C)C 2282612356 SWFAXDVHCNIXKQ-GJZGRUSLSA-N 463.388 2.022 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(O)cc2O)C1 2282967234 NMGAXBVQXFWHHL-CQSZACIVSA-N 462.352 2.384 30 10 JEEE CC(C)(C)OC(=O)N1CCN(c2ncc(Cl)cc2B2OC(C)(C)C(C)(C)O2)[C@@H](CO)C1 2317238184 UVLDEESIOUFJJP-OAHLLOKOSA-N 453.776 2.452 30 10 JEEE CC1(C)OB(c2ccsc2S(=O)(=O)N[C@@H](CCO)COCc2ccccc2)OC1(C)C 2320501961 GMWGJWXLJSQNOD-KRWDZBQOSA-N 467.418 2.293 30 10 JEEE COC(=O)CSc1nnc(C2CCC2)n1N=Cc1ccc(OCCN2CCOCC2)c(OC)c1 2331532447 CAKNDTCFSOZGKU-UHFFFAOYSA-N 489.598 2.413 30 10 JEEE CN(CC(C)(C)N(C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C)C(=O)OC(C)(C)C 2337202272 HBPQMBRWKJIQGK-UHFFFAOYSA-N 450.389 2.437 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2C[C@@H](C)CN(C(=O)OC(C)(C)C)C2)n1C 2362334187 WTLJMCIJBYSLIA-ZBFHGGJFSA-N 462.400 2.403 30 10 JEEE CC(C)(C)OC(=O)N1CC2(CC[C@@H](NC(=O)c3csnc3B3OC(C)(C)C(C)(C)O3)CO2)C1 2362416232 MVDJVVVQSJNUKD-CQSZACIVSA-N 479.408 2.341 30 10 JEEE COc1ccc(/C=N/Nc2nnc(SCC(=O)NC3CC(C)(C)NC(C)(C)C3)[nH]2)cc1O 20833886 NRMAHWMMTYTOEQ-SSDVNMTOSA-N 461.592 2.482 30 10 JEEE COc1cccc(/C=N/Nc2nnc(SCC(=O)Nc3nc4ccccc4s3)n2N)c1O 21319063 LXWMKDRYZVMLQT-ZVBGSRNCSA-N 470.540 2.493 30 10 JEEE CCOC(=O)c1c(NC(=O)C[S@](=O)CC(=O)N(C)CCC#N)sc2c1CC[C@H](C)C2 586294731 PVXYXHAMBWCDCI-FZPQWHJUSA-N 453.586 2.109 30 10 JEEE Cc1c(NC(=O)CSCC(=O)NCc2ccc(C#N)cc2F)c(=O)n(-c2ccccc2)n1C 609229927 XUPFXQIMIUUABF-UHFFFAOYSA-N 467.526 2.483 30 10 JEEE C#Cc1cccc(-n2c(=C(C#N)C(=O)NCCC)sc(=Cc3cc([N+](=O)[O-])ccc3Cl)c2=O)c1 726579978 SVFRKMVVQALBFM-UHFFFAOYSA-N 492.944 2.471 30 10 JEEE C#CCN(C(=O)CCSCc1nc(O)c2c3c(sc2n1)CCC3)[C@@H]1CCS(=O)(=O)C1 918756503 UZDNZVWUWRVQKW-CYBMUJFWSA-N 465.622 2.158 30 10 JEEE C=CCCN(C)C(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 1154452062 XYULMZQYGKHRHJ-CQSZACIVSA-N 455.886 2.306 30 10 JEEE N#Cc1ncccc1S(=O)(=O)N1CCC(C(=O)Nc2ccc(Br)cn2)CC1 1185606457 FFUALENJLZDHST-UHFFFAOYSA-N 450.318 2.150 30 10 JEEE N#Cc1sc(NC(=O)N2CCN(S(=O)(=O)c3c[nH]c4ncccc34)CC2)nc1Cl 1206135939 CXRHCYWLNVLJQT-UHFFFAOYSA-N 451.921 2.083 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCCN1CCCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1286390574 AXZMCZQGTWSOLD-VSKRKVRLSA-N 477.675 2.453 30 10 JEEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1C[C@@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1286438015 TYRFTYQGHJAJPM-LWIATZKVSA-N 489.617 2.414 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@](C)(O)CC)CC1 1286488866 WPSAHSHBCPEEAQ-RUZDIDTESA-N 485.585 2.098 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](NC(C)=O)C1 1286545716 ALZVABYVFAEYHA-HBFSDRIKSA-N 453.547 2.012 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CC(=O)NC(C)(C)C 1286546694 LDIPBWBQBRGXBZ-QFBILLFUSA-N 455.563 2.258 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 1286606697 YONWVOONGFAAGQ-IBGZPJMESA-N 458.538 2.296 30 10 JEEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)COc2ccc(F)cc2)CC1 1286690071 KQKZFQCTKDQGQL-UHFFFAOYSA-N 458.538 2.249 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1snnc1C 1286742036 NCGQANXUWVCGCH-SFHVURJKSA-N 469.596 2.453 30 10 JEEE C=CCn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)COc2ccc(F)cc2)CC1 1286768449 IRHOAQPFACFKDP-UHFFFAOYSA-N 458.538 2.249 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N(C)C)c(F)c1 1286773992 WVTDTZOXFQJKCB-QGZVFWFLSA-N 451.568 2.072 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1286782139 LQJRMBNAWXIWMW-QZTJIDSGSA-N 476.375 2.394 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](C)C[C@@H](C)C1 1286791534 VCSSOOVXTBGRSQ-FGTMMUONSA-N 462.595 2.371 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCN2C(=O)CC[C@H]2C1 1286791797 DBNLEIBIFWUYAP-IBGZPJMESA-N 466.586 2.268 30 10 JEEE CC[C@H](C)[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1)OC 1291406860 CZQRJZRCQIZVCT-USNOLKROSA-N 490.630 2.399 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2CCCC(F)(F)F)c1 1300331005 GGDRZNYIPDXJFE-AWEZNQCLSA-N 486.520 2.287 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2C[C@@]2(N(C)C)CCSC2)c1 1300334595 RESFFGCPQQXOCD-CYFREDJKSA-N 468.627 2.276 30 10 JEEE C#CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](C(=O)OC)C1 1300362970 BLJMUZSYDYKRFX-MSOLQXFVSA-N 461.563 2.389 30 10 JEEE C#CCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC(CNC(C)=O)CC1 1300419771 SWVJZJDJZPMHLP-UHFFFAOYSA-N 477.657 2.409 30 10 JEEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H](c1ccc(C)o1)N1CCOCC1 1300431176 DWNWRYPTAWJQHN-HYBUGGRVSA-N 457.575 2.363 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(OC)cc(OC)c2)n1CCn1cc([C@@H]2CCOC2)cn1 1300512292 VAQAGBGAKXHVNI-LJQANCHMSA-N 460.538 2.436 30 10 JEEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1CCc2ccccc21 1300762648 KZMKIIBERBEISY-UXHICEINSA-N 475.640 2.101 30 10 JEEE C#CCSCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1300770125 NXEKYTDESUITLE-LJQANCHMSA-N 454.600 2.396 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2OCC)n1CCNC(=O)c1cc[nH]n1 1300817841 YTJYWTCSNNUVKF-XMMPIXPASA-N 463.542 2.401 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccn2C)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1300880621 JGTNCFKEMQWCFI-NZQKXSOJSA-N 469.634 2.255 30 10 JEEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(S(=O)(=O)CC)CC1 1300996644 ILQSTQDZUQBUGZ-UHFFFAOYSA-N 450.609 2.136 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N(C)C1CCC(NC(C)=O)CC1 1301586231 FHTRMTVFHGRUIA-UHFFFAOYSA-N 477.606 2.492 30 10 JEEE COCCN(CCC#N)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@]1(O)CCO[C@@H]1C 1301806301 BTAGBUDVYUFYHP-JPYJTQIMSA-N 451.531 2.037 30 10 JEEE CCSc1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@H](C(=O)NC)C2)ccn1 1314584163 APDGJFARMCZNGJ-IBGZPJMESA-N 463.567 2.323 30 10 JEEE COc1ccc(Cn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N(C)[C@H](C)CC#N)cn1 1315486050 ADIASCXOAZLMIL-MRXNPFEDSA-N 469.571 2.386 30 10 JEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 1358913211 IRBNXWYRZNHGIS-MSOLQXFVSA-N 465.620 2.477 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1nncn1CC 1358977368 KTWJPKNJQRPCOM-GOSISDBHSA-N 452.563 2.125 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCN1C1CCCCC1 1358984939 KXXXGYQNVUOQEK-TZIWHRDSSA-N 460.648 2.148 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1cnn(CCOC)c1 1358991558 GBUNCUSMBOFRSU-UHFFFAOYSA-N 484.564 2.029 30 10 JEEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1CCN(Cc2cccs2)CC1 1358999710 ANFOSSFKCDWYLH-KRWDZBQOSA-N 464.661 2.322 30 10 JEEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1Cc1ccccc1CN1CC[C@H](O)C1 1359013352 VHUXEYYUUOGDNY-NRFANRHFSA-N 478.622 2.344 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccccc2Cl)n1C[C@H]1CCCN1S(C)(=O)=O 1359022154 OYGOGMYSVIAQGL-MRXNPFEDSA-N 451.980 2.109 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)cn3C)n2CCCCOC)CC1 1359042127 SQXRFJWCTIPOKE-UHFFFAOYSA-N 477.407 2.439 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCOc2ccc(OC)cc2)CC1 1359047824 VBBLVGGCZYBZSA-OAQYLSRUSA-N 453.543 2.183 30 10 JEEE C#CCSCCn1c(COc2cc(C)ccc2C)nnc1N1CCCN(S(C)(=O)=O)CC1 1359060812 ICGRULKZYPXPOC-UHFFFAOYSA-N 477.656 2.312 30 10 JEEE C#CCSCCn1c(COc2ccccc2CC)nnc1N1CCc2nn(C)c(=O)cc2C1 1359061074 QKVUQYRQEVKRPL-UHFFFAOYSA-N 464.595 2.442 30 10 JEEE C#CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1359061176 TZSLZXDAHWCHIM-XMMPIXPASA-N 498.609 2.047 30 10 JEEE C=C(Cl)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1359155167 NWDOQRPCFILQKF-UHFFFAOYSA-N 474.993 2.400 30 10 JEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](CC(C)C)NC(=O)OCC)CC1 1359159394 VITSAOJBEMTWEP-SJORKVTESA-N 456.613 2.206 30 10 JEEE C=CC1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC[C@@H]2COCCO2)CC1 1359175331 IAPXRNZWYWCFOU-HXUWFJFHSA-N 475.615 2.403 30 10 JEEE C=CCN(CC=C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCC1(O)CCOCC1 1359270083 AWWYLUOZQOYHBF-UHFFFAOYSA-N 450.543 2.302 30 10 JEEE C=CCSCCn1c(Cc2ccccc2OC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1359343987 HRJVCAHPRRBTRT-GOSISDBHSA-N 470.599 2.269 30 10 JEEE CC(C)c1nnc(N2CCN(c3oc(C4CC4)nc3C#N)CC2)n1CC(=O)NCC(F)(F)F 1359715483 BZMYPAKKBMXCTP-UHFFFAOYSA-N 466.468 2.144 30 10 JEEE C[C@@H](CN1CCOCC1)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1360603478 HKZIBKDTLVQIQP-FQEVSTJZSA-N 479.629 2.480 30 10 JEEE C#CCNC(=O)C1CCN(C(=O)NCCc2ccc(OCCN3C[C@@H](C)[C@H](C)C3)cc2)CC1 1478335716 OVNIDLIIGVSRSW-NHCUHLMSSA-N 454.615 2.367 30 10 JEEE C#C[C@@H](NC(=O)NCC[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)c1ccc(F)cc1 1478893871 QMQSSKJCRQJAQH-ZWKOTPCHSA-N 453.536 2.223 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(Br)cc2)n1CCN/C(O)=C1\N=CC=CC1=O 1507706393 LPINLEDEIGDLGG-XUTLUUPISA-N 499.369 2.320 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCN1CCOC[C@H]1C 1507709830 BNAUGZVMVZNURD-HXUWFJFHSA-N 493.612 2.043 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)COCCO2)n1 1507715850 DGPMWWRKDMFHDZ-VWLOTQADSA-N 475.553 2.105 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1507808718 UVOZYWRLAOQHKS-KLJBMEJHSA-N 450.580 2.368 30 10 JEEE C=C(C)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1507828661 LTZIAWVLDNYREC-FQEVSTJZSA-N 461.588 2.161 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1508136504 SXJNAMFVBVQEBO-UHFFFAOYSA-N 485.532 2.441 30 10 JEEE COC(=O)[C@@H](c1ccccc1)N(C)C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1524099643 DOWHZSPKDWQYAA-OAQYLSRUSA-N 455.536 2.332 30 10 JEEE C#CCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1539093969 INHIXHGNMGRWCL-VQIMIIECSA-N 454.506 2.443 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H](C)Oc1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1539225436 OCOPCPSOGRNZMT-TZIWHRDSSA-N 495.605 2.367 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCC[C@H](O)C1 1539311914 BWUMSFFYKBSFAE-MOPGFXCFSA-N 454.600 2.252 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1nnc(C)s1 1539384263 BNMZVRZDVXMXER-CQSZACIVSA-N 477.591 2.070 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1539622175 DTOMICARZWIVCP-DZFGPLHGSA-N 470.599 2.268 30 10 JEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)c2ccco2)CC1 1540858327 QWJZKBICDVABRI-KRWDZBQOSA-N 472.546 2.328 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CC(C)(C)CN(C)C)C1 1540887065 PFFHDHUFXWZORA-HXUWFJFHSA-N 451.579 2.290 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1540900390 UAMSLJYOWJNWAJ-MRXNPFEDSA-N 482.006 2.369 30 10 JEEE C[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1544157102 GYTAYFZABIUJLJ-IEBWSBKVSA-N 458.588 2.247 30 10 JEEE CCc1cnc(CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(CC#N)CC2)s1 1546333396 AGXKXGMQNIPLQZ-GOSISDBHSA-N 493.659 2.003 30 10 JEEE CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)Cc1c(C)nn(C)c1C 1547320044 DRGMNVRFIONTEY-UHFFFAOYSA-N 450.547 2.194 30 10 JEEE CCO[C@@]1(c2nnc(N3CCC(CC#N)CC3)n2Cc2cccc(C(=O)NC)c2)CCOC1 1547887893 DEISMLHGKGIALH-DEOSSOPVSA-N 452.559 2.468 30 10 JEEE CO[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1)C(C)C 1554636595 HYMZJZCAYQDVCH-VXKWHMMOSA-N 465.602 2.231 30 10 JEEE COCC[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CN2CCOCC2)CC1 1555418681 CYSSKALJOXJVHT-RUZDIDTESA-N 468.602 2.153 30 10 JEEE N#C[C@]1(F)CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCS(=O)(=O)CC2CC2)C1 1555983706 ABOMEVMRAQMTDJ-QGZVFWFLSA-N 471.356 2.302 30 10 JEEE CCN1C(=O)c2ccc(C(=O)NC3CCC(Oc4ncccc4C#N)CC3)cc2S1(=O)=O 1585483790 DNHBTTRAUHOPRW-UHFFFAOYSA-N 454.508 2.238 30 10 JEEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCCSC)[C@@H]1CCS(=O)(=O)C1 1588034522 HTFVPHBKMPELHO-GOSISDBHSA-N 496.680 2.119 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1Cc1c(CC)noc1C)[C@H]1CCS(=O)(=O)C1 1588040538 OBNILIZTAOJUHO-SFHVURJKSA-N 499.593 2.496 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1CC1(CN2CCOCC2)CCCCC1)[C@H]1CCS(=O)(=O)C1 1588059855 WJFHEDZGPRJRSV-QFIPXVFZSA-N 491.702 2.386 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCc1ccc(C)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1588073579 AGDXFIRAVABRCT-WOJBJXKFSA-N 458.584 2.316 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Sc1ccccc1 1588384929 DJFOFRQOGXXVEN-IEBWSBKVSA-N 463.629 2.251 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@H]2CCOC[C@@H]2OC)CC1 1588871527 GMFIUZRQKUXCGQ-GGAORHGYSA-N 453.587 2.281 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCCc2cnn(C)c2)CC1 1588876792 JJUDTLPYNBAPRB-OYRHEFFESA-N 482.633 2.170 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2([S@@](C)=O)CCC2)CC1 1588907748 FKTLQRMFYCWSEV-MGBGTMOVSA-N 464.595 2.084 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2CC)nnc1N1CCO[C@H](C(=O)NC)C1 1589569904 RVOCNHJIJRLHQG-NWSQWKLXSA-N 469.586 2.352 30 10 JEEE C=CCC(C)(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN2CCOC[C@@H]2C1 1594461105 IVGXFHAFBMJKTK-FQEVSTJZSA-N 488.658 2.319 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)cc1 1595607909 LDEOLJFUCPTDGB-ROUUACIJSA-N 475.615 2.385 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](CC)C1 1595805325 NGMJWZZLWKWSBV-QZTJIDSGSA-N 483.635 2.424 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@]1(O)CCC[C@H]1C 1613588372 GTKGDURSUGODFK-FUMQJTLXSA-N 495.632 2.124 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)[C@H](C)C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)c1 1615200881 PHULNIGTHJWVKC-QGZVFWFLSA-N 456.568 2.252 30 10 JEEE CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1cc(C)nn1C 1617283587 BSMFKQUMXCQHEK-QGZVFWFLSA-N 471.587 2.078 30 10 JEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCC(C)(C)[C@H]2COCC23OCCO3)cc1 1622886609 MHGWTOVMODFOJE-GOSISDBHSA-N 453.561 2.030 30 10 JEEE C#CCN1CCCN(C(=O)c2ccccc2NS(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1628351062 YCZDQHAVKMZNJJ-UHFFFAOYSA-N 455.536 2.040 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1CN1CCCCC1 1689826004 GRSCLPJOPNGOFW-RTBURBONSA-N 458.632 2.380 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1689839903 OTIFVWMVPWUGFP-CVEARBPZSA-N 451.535 2.292 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(OC)ccc2Br)n1CCS(=O)(=O)N(C)C 1690035628 FFXWVITXLVEOHI-UHFFFAOYSA-N 494.415 2.071 30 10 JEEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2cnccn2)CC1 1690182933 IBTNNKQTMCGYSD-UHFFFAOYSA-N 460.567 2.212 30 10 JEEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1690464717 IYKUYBPWHQBWBA-GOSISDBHSA-N 453.609 2.451 30 10 JEEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](COC(C)C)C1 1690644306 CWNKZWATUJVMBK-QZTJIDSGSA-N 451.568 2.403 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1ccc(COCC)cc1)[C@@H]1CCS(=O)(=O)C1 1705564586 CPNVMYGUXZIEBV-FGZHOGPDSA-N 472.611 2.384 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)N2C[C@@H](C)C[C@@H](C)C2)CC1 1705643934 VVHGVQHGWRCJEF-OYRHEFFESA-N 497.688 2.236 30 10 JEEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCC(Cn2ccnn2)CC1 1705664470 QBWPXGLXTHMKMP-UHFFFAOYSA-N 470.628 2.144 30 10 JEEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 1705729013 ICLKKUCQOKJJQK-UHFFFAOYSA-N 472.565 2.039 30 10 JEEE C=C(Cn1c([C@H](C)OCCOC)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O)c1ccccc1 1705741228 JRMNLDAXGMPYKT-SFHVURJKSA-N 468.558 2.236 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC(OC[C@H]2CCCCO2)CC1 1705936233 MCQYPLIISQUMHZ-TZIWHRDSSA-N 482.647 2.327 30 10 JEEE CC(C)OCCn1c(CN2CCCC2=O)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1706708695 FJBKHURIKNVXLB-UHFFFAOYSA-N 451.575 2.019 30 10 JEEE COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)N2CCC(OC)CC2)CCO1 1712303006 CNTAXPKRPDYWLP-HSZRJFAPSA-N 498.628 2.470 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1CCN(C(=O)OC)CC1 1722282570 QNDCNAITTHEOSQ-KRWDZBQOSA-N 488.614 2.132 30 10 JEEE C#CCCCn1c(-c2ccc(Cl)nc2)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1722326682 JLIKYGKWIAIMOM-QGZVFWFLSA-N 451.980 2.437 30 10 JEEE C#CCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1722329066 CPPNWXQFMVYYAC-GOSISDBHSA-N 452.559 2.124 30 10 JEEE C#CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCC(C(=O)NC)CC1 1722337360 XYNRSVANPARVFA-UHFFFAOYSA-N 461.570 2.441 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1722359848 QGNCJTHIMUTWGD-FQEVSTJZSA-N 457.600 2.066 30 10 JEEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CCCC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1722367120 VBZSQJSOLNPPRK-ZJSXRUAMSA-N 494.658 2.152 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1722382397 BVLFYWIJRRYXCG-RBBKRZOGSA-N 469.586 2.285 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2CCCN(CC(C)C)C2)CC1 1722432819 FYJCTNZICBJNLL-BVAGGSTKSA-N 472.678 2.442 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@H](C)N2CCOCC2)CC1 1722433538 ZHALDABWKIPYQP-GOSISDBHSA-N 460.529 2.022 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccccc3C)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC1 1722436023 ZAOALDNBYMUCOK-HXUWFJFHSA-N 462.520 2.272 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCC[C@@H]2CCCCO2)CC1 1722443429 IPCZJWVZIMRUTP-SQJMNOBHSA-N 473.618 2.245 30 10 JEEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1722461965 WFXWJZXYGLRBRR-HXUWFJFHSA-N 453.616 2.213 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@]1(O)CCO[C@@H]1C 1722505404 NJOOQUZFFWFGFI-VGSWGCGISA-N 462.620 2.489 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 1722729219 YILCBMKSJHKWBF-UHFFFAOYSA-N 473.643 2.491 30 10 JEEE CC(C)N(C)CCCn1c(Cc2cccnc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1723525098 CZXWKLHQXWSILH-HXUWFJFHSA-N 474.617 2.371 30 10 JEEE Cc1nn(C)c(N2CCN(c3nnc(C(C)C)n3CCNC(=O)c3cccs3)CC2)c1C#N 1725861484 HUQMLONEYDEKAN-UHFFFAOYSA-N 467.603 2.133 30 10 JEEE CCOC(=O)N(C)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N(C)C)CC1 1728689546 HTWBGQXMEVKBRT-UHFFFAOYSA-N 453.547 2.352 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C(F)(F)F)c1 1740550924 JXFNTAOBGDWWKT-RHSMWYFYSA-N 471.505 2.136 30 10 JEEE C#CCN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1ccoc1)[C@@H]1CCS(=O)(=O)C1 1740615804 LJXOHWVLQCVWHV-LJQANCHMSA-N 487.969 2.130 30 10 JEEE C#CCN(c1nnc([C@H](C)OCCOC)n1Cc1ccc(F)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 1740617788 XIHWLKPLWIUURR-RDJZCZTQSA-N 484.981 2.470 30 10 JEEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1Cc1cc(C)on1)[C@@H]1CCS(=O)(=O)C1 1740625365 QEQKWDDZXOUXNZ-HXUWFJFHSA-N 469.567 2.445 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1CCn1cc(C)cn1)[C@H]1CCS(=O)(=O)C1 1740627881 KUDWWUCBJMDDDH-NRFANRHFSA-N 482.610 2.306 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1CC[C@H](C(F)F)N1CCOCC1 1740638117 IPJZRKZNZDAMCV-LJQANCHMSA-N 481.507 2.023 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCc2cc(OC)ccc21 1740671466 HXNCOPJOGPRKHA-UGKGYDQZSA-N 487.626 2.199 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCO[C@H]1C(C)C 1740682011 ZWHMFEYFNMZSAP-FPOVZHCZSA-N 450.547 2.068 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2c(F)cccc2SC)CC1 1740700791 ILDUAXCZRCBDIC-UHFFFAOYSA-N 484.601 2.389 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCc2cccc(OC)c2)CC1 1740709123 ASOSGUBDPRPSJG-GMAHTHKFSA-N 481.597 2.219 30 10 JEEE C=C(Br)Cn1c(-c2noc3c2COCC3)nnc1N1CCN(CC(C)C)C(=O)C1 1740743250 QWKBNIRIJQRWIU-UHFFFAOYSA-N 465.352 2.219 30 10 JEEE C=CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1740944123 VFBUBVOWHZPDKI-UHFFFAOYSA-N 465.576 2.017 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@@H](C)[C@H](OC)C1 1740953474 HHICMCPNGWCJHY-DNVCBOLYSA-N 459.547 2.134 30 10 JEEE CCNC(=O)C(C)(C)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCO[C@@H](C#N)C1 1746480214 HUQXYFBXMYZAMT-KRWDZBQOSA-N 456.547 2.243 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1Cc1nccc(C(F)F)n1)[C@H]1CCS(=O)(=O)C1 1748809247 QSJHAIVHCNMJQR-INIZCTEOSA-N 488.520 2.356 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCOC1CCCCCC1)[C@@H]1CCS(=O)(=O)C1 1748824338 OGLNFOZEUHTONO-UYAOXDASSA-N 450.605 2.496 30 10 JEEE C#CCN(CCOC)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@@H]1CCCS(=O)(=O)C1 1748964592 HBAKUGJTGFIWHD-SFHVURJKSA-N 455.584 2.261 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1nc(O)c2sccc2n1 1749229465 KVAWMQIWZMUVMH-AWEZNQCLSA-N 478.600 2.120 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C2CCOCC2)C1 1749368494 KPJSOMPAOVICGQ-VQTJNVASSA-N 481.663 2.466 30 10 JEEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H]1COc2ccccc2O1 1749402318 LVEGYDHIARMQKR-GHTZIAJQSA-N 491.614 2.244 30 10 JEEE C=CCCOCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](COC)C1 1749457531 MRYPWKSUKMCVIR-MOPGFXCFSA-N 481.594 2.031 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@]2(CCOC2)C1)C(C)C 1749557984 QABMAPRTCCVYRL-LGVFNWMJSA-N 477.675 2.496 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(NC(=O)OC)c1 1749599708 JDKBGPLLWUNIHU-KRWDZBQOSA-N 463.560 2.046 30 10 JEEE C=CCOc1ccccc1Cn1c(Cc2cccnc2)nnc1N1CCN(C(=O)COC)CC1 1749689288 GUZUANAVZUAGIC-UHFFFAOYSA-N 462.554 2.172 30 10 JEEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCOC[C@H]2CCCO2)[C@H](C)C1 1749877553 ULMYUKDPCCETKM-AUSIDOKSSA-N 482.585 2.371 30 10 JEEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC1(N(C)C)CCOCC1 1760120538 NHJYFVASDBPMQL-QHCPKHFHSA-N 479.673 2.212 30 10 JEEE C#CCCCCn1c([C@H]2COc3ccccc3O2)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1760138650 FBSCIECOMZCRNI-GHTZIAJQSA-N 454.552 2.221 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc4c(s3)CC[C@H](C)C4)n2CCOCCN(C)C)CC1 1760256547 ZCHLUZNZFHXXNL-IBGZPJMESA-N 456.660 2.465 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](Oc2ccccc2)C1 1760346164 KYDRFDIUYOWXNT-UXHICEINSA-N 461.588 2.235 30 10 JEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2c(F)cccc2F)CC1 1760356486 OMKNMGANKWHDFT-GOSISDBHSA-N 474.512 2.063 30 10 JEEE C=CCCOCCn1c(N2CCc3nc(O)c(C#N)cc3C2)nnc1[C@@]1(OC(C)C)CCOC1 1760452494 DRHZPYFOWHWSQR-XMMPIXPASA-N 468.558 2.446 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1760526042 BEYZHLUAAVSDIT-LJQANCHMSA-N 466.586 2.271 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCN(CC)[C@H](C)C2)cc1 1760530123 PXFOODLKXULBKT-UYAOXDASSA-N 459.616 2.324 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN2CCCC[C@@H]2C1 1760552971 HVVSGANZNRQBSK-QGZVFWFLSA-N 450.996 2.269 30 10 JEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(OC[C@H]2CCOC2)CC1 1760566114 LNVHICJSRVDEML-ZWKOTPCHSA-N 470.661 2.121 30 10 JEEE C[C@H]1CCCN(CCn2c(-c3cccc(C#N)c3)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)C1 1762914442 BUJKUDZETOGAQZ-OALUTQOASA-N 471.631 2.019 30 10 JEEE CN(CC(C)(C)CN1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1CCNC(=O)C1CC1 1767030229 BMYNVSRZERKFEF-UHFFFAOYSA-N 465.602 2.138 30 10 JEEE COCCN(C)S(=O)(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)SC)C1 1771085715 GSSPMOIGQYEMIE-XLIONFOSSA-N 492.671 2.445 30 10 JEEE CC[C@@H](NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(=O)N1CCC2(CC1)OCCO2 1868796873 YFJQVYQIFLGBJP-RTBURBONSA-N 460.600 2.285 30 10 JEEE C[C@H](C(=O)Nc1c(C#N)nnn1-c1ccc(N2CCCC2)cc1)N1C(=O)c2ccccc2C1=O 1870142710 JJCKMXIRWHUUPO-OAHLLOKOSA-N 455.478 2.362 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCc2nc(O)c3ccccc3n2)cn1CCOCCO 1870373628 CUZSTTCNLSHLOS-UHFFFAOYSA-N 466.538 2.259 30 10 JEEE C=CCn1c(C(=O)Nc2cc(OC)c(OC)c(OC)c2)cc2c(NCCNC(C)=O)ncnc21 1873634367 YFBXSWRKSNLAJD-UHFFFAOYSA-N 468.514 2.443 30 10 JEEE COc1cc(/C=N/n2c(SCCCO)nnc2C2CC2)ccc1OCCN1CCOCC1 1874520582 PAZQPRVIOSUHNR-XQNSMLJCSA-N 461.588 2.232 30 10 JEEE CC(C)[C@@H](C#N)C(=O)Nc1c(I)ncnc1I 2008292477 YSZLXQJGESWNER-ZCFIWIBFSA-N 456.025 2.420 30 10 JEEE C=C(Br)CS(=O)(=O)NCC1CCN(C2CN(C(=O)OC(C)(C)C)C2)CC1 2136104144 VWTMSWGIFYUGSR-UHFFFAOYSA-N 452.415 2.146 30 10 JEEE CC1(C)OB(c2ccsc2S(=O)(=O)N2CC(NC(=O)OCc3ccccc3)C2)OC1(C)C 2243412065 FZZFBUKAZTZYAZ-UHFFFAOYSA-N 478.401 2.347 30 10 JEEE Cc1sc(C(=O)N[C@@H](CO)CNC(=O)OC(C)(C)C)c(C)c1B1OC(C)(C)C(C)(C)O1 2255601739 ISMDPABAQXJKQK-CQSZACIVSA-N 454.398 2.280 30 10 JEEE Cn1nc(C(=O)NC[C@H]2C[C@H]2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2255819449 ATNMTYXUYDXNAI-VXGBXAGGSA-N 454.764 2.016 30 10 JEEE CC(C)(C)OC(=O)N(CCC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)CC1CC1 2256625622 ZEJTXAFSRSPRPE-UHFFFAOYSA-N 452.386 2.235 30 10 JEEE CC(C)[C@H](CCNC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2267132336 OEVSXDNSOCKFCW-INIZCTEOSA-N 450.389 2.389 30 10 JEEE CN(C[C@H](O)CN(C)C(=O)c1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1)C(=O)OC(C)(C)C 2281782799 BGHKIUHUMORYPZ-MRXNPFEDSA-N 466.359 2.425 30 10 JEEE Cc1cc(C(=O)NCCN2CCN(C(=O)OC(C)(C)C)CC2)oc1B1OC(C)(C)C(C)(C)O1 2281975537 OICQGHUUYFYBQW-UHFFFAOYSA-N 463.384 2.170 30 10 JEEE CC(C)(C)OC(=O)N1CCCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CC(F)(F)C1 2281989277 XQTKBVMLYMWAMB-UHFFFAOYSA-N 470.326 2.427 30 10 JEEE Cc1nc(C(=O)N2CCO[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)c(B2OC(C)(C)C(C)(C)O2)s1 2282021311 KNOFPLBSTLEHPT-CABCVRRESA-N 479.408 2.211 30 10 JEEE CCC(CC)(CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C)NC(=O)OC(C)(C)C 2282332360 ZPPDEEMVFLVWBU-UHFFFAOYSA-N 486.444 2.081 30 10 JEEE Cc1nc(C(=O)NC[C@@H]2CO[C@H](CNC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2282524402 JCRZFNNBJOUGBF-CABCVRRESA-N 481.424 2.410 30 10 JEEE CCc1nn(C)c(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C)c1B1OC(C)(C)C(C)(C)O1 2282558132 FWDMRTQWGSWCJV-GOEBONIOSA-N 462.400 2.409 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@H]1C 2282687885 MGBVGBOPVFWNEW-HIFRSBDPSA-N 457.302 2.479 30 10 JEEE CC(C)(C)OC(=O)N1CC2(C1)CN(S(=O)(=O)Cc1cccc(B3OC(C)(C)C(C)(C)O3)c1)C2 2282843679 QWYFJDOOJVAJCR-UHFFFAOYSA-N 478.420 2.368 30 10 JEEE C[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1O 2282972308 NXPLZCYBQDSAQF-DOMZBBRYSA-N 456.270 2.363 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(O)cc2O)[C@@H]2C[C@@H]21 2282983125 JLGKWYQZTDDZMA-CVEARBPZSA-N 460.336 2.231 30 10 JEEE CC(C)(C)OC(=O)N1CC2(CC[C@@H](C(=O)NCc3cnc(B4OC(C)(C)C(C)(C)O4)s3)O2)C1 2284051990 BVDZGNJTSPVYNK-HNNXBMFYSA-N 479.408 2.227 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(NC(=O)[C@H](CCC(N)=O)NC(=O)OC(C)(C)C)c1 2284122975 VJMMAYQZBFCMQN-INIZCTEOSA-N 461.368 2.392 30 10 JEEE CCOc1cc([C@@H]2C(=C(O)c3cccc([N+](=O)[O-])c3)C(=O)C(=O)N2CCOCCO)ccc1O 2296940680 YVRZAGBVNCZWMH-HXUWFJFHSA-N 472.450 2.130 30 10 JEEE CC(C)C[C@H](CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C)NC(=O)OC(C)(C)C 2337202748 NYRABFWIIDFBFZ-OAHLLOKOSA-N 450.389 2.389 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](OCCN=c2cc(B3OC(C)(C)C(C)(C)O3)c(F)c[nH]2)C1 2345716657 ZHEVOFIYJQNIAA-OAHLLOKOSA-N 451.348 2.380 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)Nc3cc(OC)c(OC)c(OC)c3)cc2C1=O 9701582 NCDNUJXANUCDCL-UHFFFAOYSA-N 454.435 2.290 30 10 JEEE C=CCOC[C@@H](O)CN1CCO[C@@H](CN(CCOC)C(=O)c2cccc(C(F)(F)F)c2)C1 34691466 KTZZLROBJVRCLU-VQTJNVASSA-N 460.493 2.058 30 10 JEEE CCOC(=O)c1c(N=C2S/C(=C\C(=O)OC)C(=O)N2c2ccccc2)ncn1CC(C)=O 254514857 VLSJHGGRZFKVGP-KDPAIFGRSA-N 456.480 2.473 30 10 JEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@H](Oc3ccnc(CN(C)C(C)C)c3)C2)cc1 856661396 DZHDGDFSDMUYNP-QFIPXVFZSA-N 470.595 2.127 30 10 JEEE C#CCn1ccc(CN(CCOC)C(=O)c2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)n1 1128570252 KUIMOAXMCWRIDL-LJQANCHMSA-N 458.584 2.226 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2nc3c(s2)CC[C@H](C(=O)OC)C3)s1 1142601312 CPDAKVVCNUCJHF-NSHDSACASA-N 455.583 2.128 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(=O)NC(C)(C)C 1286295456 IZBYKNLWNJHWFV-IRXDYDNUSA-N 462.595 2.349 30 10 JEEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1286359940 NKXRGBGANPTMAB-OALUTQOASA-N 475.615 2.390 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC(C)(C)c1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1286379725 BLIMSMXWIROYDY-IBGZPJMESA-N 475.590 2.160 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCC(=O)N1CCCCCC1)[C@@H]1CCS(=O)(=O)C1 1286388375 OBBHGYOKTZWLSH-OAQYLSRUSA-N 499.637 2.373 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCCN1CCC[C@H]1CO 1286448332 SAPMZJVFBOOUNK-SFTDATJTSA-N 490.649 2.283 30 10 JEEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1286683073 INZMVKCERRWXRY-UHFFFAOYSA-N 467.574 2.357 30 10 JEEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCN(C2Cc3ccccc3C2)CC1 1286706626 RRXXRUFENOPALH-UHFFFAOYSA-N 452.603 2.298 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC[C@@](C)(CC)O1)C1CC1 1286738367 UBZGHCVPJDREQT-LVCYWYKZSA-N 453.609 2.114 30 10 JEEE C=CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1cccc(S(=O)(=O)NC)c1)C1CC1 1286739435 CMPDOGLBNUFTBG-UHFFFAOYSA-N 455.588 2.251 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC(=O)NC(C)C 1286745806 YCSCONPLMNVMIR-GOSISDBHSA-N 463.579 2.427 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCOCC1)C(C)C 1286751011 KXAGSRDLWPPWGN-UXHICEINSA-N 451.637 2.106 30 10 JEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N(C)CC(=O)Nc1cc(F)cc(F)c1 1286789138 BBPASFGSPKAFEB-UHFFFAOYSA-N 475.525 2.289 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cccnc2OCC(F)F)C1 1286799501 WUXUWPLONLXVRR-QGZVFWFLSA-N 462.501 2.383 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCN2CCC[C@H]2C)C1 1286806674 ZMAUHSHVEQNGGW-TZIWHRDSSA-N 488.658 2.461 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1286818852 QFVHBMOIQMJYIU-KRWDZBQOSA-N 462.576 2.044 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](c2ccc(F)cc2)C1 1286820627 OLNLPCPVEPPWDS-ICSRJNTNSA-N 464.563 2.490 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](c2ccnn2C)C1 1286823878 ZMEFRFZUMDFAGY-QGZVFWFLSA-N 475.644 2.352 30 10 JEEE C#CCN(C(=O)C1CC2(C1)C[C@@H](NC(=O)OC(C)(C)C)CCS2)[C@@H]1CCS(=O)(=O)C1 1291928957 ONDFBHYOORDWEV-JWRWLIQVSA-N 456.630 2.204 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCc1cc(C)ccc1OC)[C@@H]1CCS(=O)(=O)C1 1300497330 YIDRIKSOJMKLNO-NHCUHLMSSA-N 472.611 2.359 30 10 JEEE C#CCN(c1nnc(CC)n1Cc1c(C)nn(Cc2ccccc2)c1C)[C@@H]1CCS(=O)(=O)C1 1300497673 CCWSRYMCOHGFQG-OAQYLSRUSA-N 466.611 2.377 30 10 JEEE C#CCN(c1nnc(CSc2ccc(C)cc2)n1CCC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1300504782 SBJRXPMWDCQFOL-IBGZPJMESA-N 489.667 2.420 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1ccc(C)n(C)c1=O 1300548358 ZLGZVCSFLGYKFL-FQEVSTJZSA-N 464.570 2.478 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1300570169 YEYDHHVIZQHUQF-LJQANCHMSA-N 485.610 2.097 30 10 JEEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1300767234 TWRFJJLSGGZVLX-GOSISDBHSA-N 459.583 2.007 30 10 JEEE C=C(Br)Cn1c(N2CC[C@H](NC(=O)NC3CC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1300861186 BKFYAKALXLNNCU-JXFKEZNVSA-N 483.411 2.268 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1301164612 VIUDIRZMBUKJIP-KSZLIROESA-N 460.579 2.077 30 10 JEEE C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1301434344 KOOJAJYENNLCMD-CQSZACIVSA-N 455.382 2.226 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2cccc(NC(=O)OC)c2)C1 1301565455 CKQDMXUTOQPGCI-IBGZPJMESA-N 454.531 2.408 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)Cc1ccoc1 1301576638 XKSDNYMSZNHFAU-UHFFFAOYSA-N 464.569 2.179 30 10 JEEE C=CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1301611375 LDRGYHVDDULNNH-HXUWFJFHSA-N 493.655 2.475 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCCn1cc(Br)cn1 1303848409 HUMBIMCGJIEXQR-KDOFPFPSSA-N 499.439 2.068 30 10 JEEE CC[C@H](C)N(C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2C#N)CC1 1305613704 HGNGMZOCSFAPMJ-ICSRJNTNSA-N 450.591 2.158 30 10 JEEE CC[C@H](C)NC(=O)c1cccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@](F)(C#N)C2)c1 1305625858 FJYNWYDZDUXLLW-WIRVKHDMSA-N 453.522 2.248 30 10 JEEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CCN2[C@H](C)CC[C@H]2C)CC1 1313550163 HIPAIZLLRHRHAY-NHCUHLMSSA-N 478.645 2.290 30 10 JEEE CCOC1CC(O)(Cn2c(CNC(=O)c3cccs3)nnc2N2CCC[C@](C)(C#N)C2)C1 1314263026 GLZNQXYCKDMXAD-VUQFPLBCSA-N 458.588 2.330 30 10 JEEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C(C)C)N2CCOCC2)C[C@H]1C 1316125974 AYWRPRLOTMWHTB-QPPBQGQZSA-N 481.645 2.330 30 10 JEEE C#C[C@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1358894867 YPUDADPFQJTHSR-PKOBYXMFSA-N 459.529 2.458 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cc(F)c(F)c(F)c1 1358930601 YOLILVUBBQAYDI-QGZVFWFLSA-N 471.505 2.078 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1CC1CN(C(=O)OC(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1 1358963675 MIXHYJGHUDDMKR-SFHVURJKSA-N 479.647 2.360 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@@H]1CC[C@@H](F)C1)[C@@H]1CCS(=O)(=O)C1 1358965374 UBGVCZRGTGDTCE-JFIYKMOQSA-N 451.593 2.399 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)Nc2ccccn2)n1C[C@@]1(C)CN(C)C1=O 1359014969 DAYDBPJSGSZMMY-XMMPIXPASA-N 461.501 2.183 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCC(=O)NCc2ccccc2)CC1 1359032367 MCRYKDIHGLBHFZ-UHFFFAOYSA-N 463.973 2.455 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCc2cnn(C)c2)CC1 1359042262 YDMMKULXULMLDB-UHFFFAOYSA-N 499.417 2.368 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC(F)(F)CO2)CC1 1359043441 UINRFKFFCHXXOX-IBGZPJMESA-N 454.481 2.207 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CC(=O)Nc2ccc(F)cc2)CC1 1359044225 AAHVIWUYEFLCMD-FQEVSTJZSA-N 468.533 2.263 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H](F)COC)CC1 1359047561 LHJBUGSEWMFUGB-SFHVURJKSA-N 463.941 2.461 30 10 JEEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1359048620 WWUNLYQQROPPDD-JOCHJYFZSA-N 459.620 2.048 30 10 JEEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](N2CCCC2=O)C1 1359122494 XOQLTEDGQUDDEW-ZWKOTPCHSA-N 460.579 2.364 30 10 JEEE C=C(C)Cn1c(COc2ccc(OC)cc2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1359124672 XTHLURVZXNUQMQ-CVDCTZTESA-N 468.602 2.431 30 10 JEEE C=C1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1359165842 YHJYBYLBBFOPSH-STSQHVNTSA-N 463.579 2.283 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCOC1 1359263488 CKYPJHXBEMTAGJ-PKOBYXMFSA-N 481.644 2.292 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC([C@@H](O)c2ccc(F)cc2)CC1 1359298102 NARDQEQWXFTSSW-NRFANRHFSA-N 451.506 2.126 30 10 JEEE C=CCNC(=O)Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1C[C@@H]2OCO[C@@H]2C1 1359303470 PNYDQKDBLODLKM-KDURUIRLSA-N 461.950 2.115 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1359331952 LEBDHTAUJHEZFZ-DLBZAZTESA-N 469.608 2.224 30 10 JEEE C=CCSCCn1c(Cc2c(F)cccc2F)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1359344348 URQLXPJLWHZMGZ-RDTXWAMCSA-N 452.527 2.427 30 10 JEEE CC(C)(C)S(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1359586194 CEANJSYCFMRONW-UHFFFAOYSA-N 499.641 2.368 30 10 JEEE CC(C)NC(=O)CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1360277430 FSFMNUFJEBGXSQ-SFTDATJTSA-N 493.591 2.124 30 10 JEEE CC(C)(CO)[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)c1cccnc1 1469476316 HANOFTGEICXRHI-NRFANRHFSA-N 456.568 2.230 30 10 JEEE CCN(CC(=O)NCc1cccs1)C(=O)Cn1c(C)c(Br)cc(C#N)c1=O 1473014975 HOAPCIKPSXCUKW-UHFFFAOYSA-N 451.346 2.017 30 10 JEEE Cc1noc(C2CCN(c3nnc(-c4cccc(C#N)c4)n3CC(=O)NCC(F)F)CC2)n1 1493089340 AOEHVEUXFHWXIR-UHFFFAOYSA-N 456.457 2.274 30 10 JEEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(C)CCOCC2)CC1 1504924728 FQDKUWXFKMXIRG-UHFFFAOYSA-N 454.575 2.314 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCNc1ncc(Cl)cc1Cl 1507516592 LLNQLUBOMPHRGV-RYUDHWBXSA-N 460.391 2.160 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCc2ccc(F)c(F)c2F)CC1 1507738007 FPXJPQVDIKQHOK-QGZVFWFLSA-N 461.488 2.408 30 10 JEEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(c2ccccc2)CC1 1507750770 DWESDJMWLBGWCR-NRFANRHFSA-N 489.667 2.361 30 10 JEEE C#CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N(CCS(C)(=O)=O)C1CC1 1507751407 NXGMWJWLHNHQOO-LJQANCHMSA-N 462.597 2.170 30 10 JEEE C=C(Br)Cn1c(N2CCC[C@H](C(=O)NC)C2)nnc1[C@]1(OC(C)C)CCOC1 1507792671 JKGFFRLCVKSSLC-KXBFYZLASA-N 456.385 2.190 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1507799032 UZHLEFRKBLMPNS-RBBKRZOGSA-N 496.612 2.108 30 10 JEEE C=C(Cl)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1507854772 RBYJJYJXTUPPRY-UHFFFAOYSA-N 471.949 2.420 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccc(C)n2)n1C[C@@]1(O)CCS(=O)(=O)C1 1507998485 BGRHHKWAQJTEAK-DEOSSOPVSA-N 478.578 2.262 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)C(=O)NC 1508009118 UTXQCPGFYMFKFK-KRWDZBQOSA-N 463.579 2.284 30 10 JEEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1508048162 OZMBRIQDLRNZNF-UHFFFAOYSA-N 474.631 2.465 30 10 JEEE CC(C)OCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2CCS(=O)(=O)CC2)CC1 1509877234 GSXKPNFBUVCDRY-UHFFFAOYSA-N 486.642 2.189 30 10 JEEE CCO[C@]1(c2nnc(N(C)[C@H](C)CC#N)n2Cc2ccccc2CN2CC[C@@H](O)C2)CCOC1 1516127496 CDNVDEDQCNZCDF-OPJGWUQDSA-N 468.602 2.283 30 10 JEEE CN(CCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1)CC(F)(F)F 1517307042 HTECCFFXHOACMZ-LJQANCHMSA-N 491.518 2.458 30 10 JEEE CCN(CC)S(=O)(=O)c1cc(C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)n(C)c1 1530326256 GYQLGRGYIIDNCW-UHFFFAOYSA-N 457.600 2.322 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OCC)CCOC3)n2Cc2cnn(C)c2C)c1 1539039797 IEVJHKWTVVDMKT-VWLOTQADSA-N 477.569 2.077 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1539206602 SFEUQWBEBBFVGK-UGTOYMOASA-N 464.632 2.382 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccccc2F)n1CC1(N2CCOCC2)CC(OCC)C1 1539253171 NPLRTGUHZYTPMF-UHFFFAOYSA-N 451.546 2.427 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCc2ncc(CC)s2)CC1 1539438521 ZVCNSDZZUXQYCO-UHFFFAOYSA-N 484.651 2.365 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@H](c2ccco2)N(CC)CC)CC1 1539482169 RMKORBPMWYUENU-LEWJYISDSA-N 468.602 2.424 30 10 JEEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](OC)[C@H](OC)C1 1539803156 FSTBARKULQKWGL-HRCADAONSA-N 457.959 2.189 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(OC)CCCCC1 1540170298 MRXIVAMXNKFEEC-SFHVURJKSA-N 453.609 2.139 30 10 JEEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1540853385 CKQKWWAKPLEOSK-SFHVURJKSA-N 482.976 2.445 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N(C)Cc1ccccn1 1540903995 JJUXNOXIZUBBDB-HXUWFJFHSA-N 455.540 2.423 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1540905603 UGFXJPRBSJLABC-SFHVURJKSA-N 451.637 2.210 30 10 JEEE C[C@@H](CN1CCCC1)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(C#N)cc1 1541872683 BFVVFYFQCALCDI-GHTZIAJQSA-N 456.616 2.420 30 10 JEEE CCc1nc(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCC(NC(C)=O)CC2)no1 1546375198 FWCVMMOCZGFTDC-UHFFFAOYSA-N 464.530 2.022 30 10 JEEE Cn1ccc(C(=O)N2C[C@@H](C(N)=O)C3(CCN(c4ccc(C#N)c(C(F)(F)F)c4)CC3)C2)n1 1548375358 JHWAGDQOXLQONS-KRWDZBQOSA-N 460.460 2.155 30 10 JEEE C#CCCCCn1c(-c2nnc(O)c3ccccc23)nnc1N(CCS(C)(=O)=O)C1CC1 1587754466 FNHYOEQHCAVUIM-UHFFFAOYSA-N 454.556 2.411 30 10 JEEE C#CCN(c1nnc(C(C)C)n1Cc1cccc(NC(=O)[C@H]2CCCO2)c1)[C@@H]1CCS(=O)(=O)C1 1588030640 ZDGULOQIIVOEPH-NHCUHLMSSA-N 485.610 2.194 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1ccc(N2CCOCC2)cc1)[C@@H]1CCS(=O)(=O)C1 1588059350 MJKHYHZAHSUQBC-JOCHJYFZSA-N 485.654 2.378 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(OCC(F)(F)F)c1 1588139533 OOAWBGOHQKQKBK-KRWDZBQOSA-N 466.485 2.242 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccnc2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1588210569 JYNKLLZGEYBESZ-NHCUHLMSSA-N 452.584 2.007 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCSC1 1588647314 UMFIMMLQAYKAER-ZWKOTPCHSA-N 465.620 2.426 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCc2nc(C)c(C)s2)CC1 1588884834 OCVFGZFYOBGTPA-UHFFFAOYSA-N 492.609 2.207 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@H](c2ccsc2)N(C)C)CC1 1588929806 HEHIVVIFHLQLIP-AZUAARDMSA-N 456.616 2.112 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1589504774 JGOGCKLPPURRQE-ZQAYVECASA-N 486.569 2.304 30 10 JEEE C=C(C)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1593605554 YGKDFVHOZPZMDR-QGZVFWFLSA-N 454.531 2.401 30 10 JEEE C=C(Cl)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1593887346 YOBLFPWDDIZHFW-RBUKOAKNSA-N 497.040 2.498 30 10 JEEE C=C1CCN(c2nnc([C@H](C)OCCOC)n2C[C@H]2CCC[C@H]2N2CCCS2(=O)=O)CC1 1594015221 YWBIWULMEIYNMX-XUVXKRRUSA-N 467.636 2.363 30 10 JEEE C=C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCN2CCC[C@H]2C(=O)N(C)C)CC1 1594122558 SQKVELOUFSZAPL-NRFANRHFSA-N 454.623 2.239 30 10 JEEE C=CC[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(C)=O)CC1)c1ccccc1 1594544153 HEXSOKLAQVHFEL-RTWAWAEBSA-N 457.600 2.209 30 10 JEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 1594733169 OGUUTKVZMFVJCI-LJQANCHMSA-N 476.559 2.048 30 10 JEEE CCC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)NC2CC2)CC1)OC 1649633972 CWBFJLMJSHUIRT-NRFANRHFSA-N 451.575 2.032 30 10 JEEE C=CCC1(O)CCN(S(=O)(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cc2)CC1 1666229832 MLKJNEBGSKAZOU-ROUUACIJSA-N 456.630 2.445 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc(Br)cc1 1689828275 MSTSLVRZRTZWIR-KBPBESRZSA-N 454.394 2.351 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(S(C)(=O)=O)CC1 1689849223 IQWXOWLGLVAJOA-IRXDYDNUSA-N 465.620 2.428 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1ccsc1)N(CC)CC 1689853132 PNZYMFJZQKLFBE-SXLOBPIMSA-N 494.687 2.214 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1cccc(NC(C)=O)c1)[C@H]1CCS(=O)(=O)C1 1689990613 QNCANPBEWMITEI-LEWJYISDSA-N 471.583 2.153 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1ccc(OCC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1689993912 NMDAAVFPNVSOBG-OAQYLSRUSA-N 495.605 2.346 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1CC(C)(C)OCC)[C@@H]1CCS(=O)(=O)C1 1689996888 QGXXYGJYVBVVRS-QGZVFWFLSA-N 464.563 2.438 30 10 JEEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1690469042 BRUKWZOIQGMPJI-IBGZPJMESA-N 457.623 2.050 30 10 JEEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1ccc(C)o1 1690508337 GSLIQYMHWIPAPX-UYAOXDASSA-N 479.603 2.447 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1690665500 GIEGFIRNZHGCLH-DEOSSOPVSA-N 471.558 2.039 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCN(CCN2[C@H](C)CC[C@H]2C)CC1 1690672779 CVXPNHLSIMSIRQ-NHCUHLMSSA-N 483.636 2.305 30 10 JEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1690729045 FEEUSBQHAIHJGE-UHFFFAOYSA-N 480.594 2.167 30 10 JEEE C[C@H]1CN(CCCn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H](CC(N)=O)C2)CCCO1 1693836108 FECPQONVTSZAPV-PZJWPPBQSA-N 465.602 2.409 30 10 JEEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCN(CC)C(=O)OC(C)(C)C 1694734050 GBNDRZRQDODOEA-UHFFFAOYSA-N 471.610 2.338 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1cccc(C(=O)NCCC)c1)[C@@H]1CCS(=O)(=O)C1 1705566644 PETPNIUUQQPVDH-YADHBBJMSA-N 499.637 2.335 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1CC[C@@H](C(F)F)N1CCOCC1 1705583084 PROOCTWUZADYEZ-RXVVDRJESA-N 471.508 2.219 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@H](C)CN2CCOCC2)CC1 1705632922 FIUYHZCPXHGPAY-RTWAWAEBSA-N 470.593 2.281 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CC=CCO2)CC1 1705646576 IGTRLUNCXRXQOD-HXUWFJFHSA-N 450.499 2.164 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](Cc2ccccc2)OC)CC1 1705650472 RFRUZFGBKIIQBY-XMMPIXPASA-N 472.593 2.487 30 10 JEEE C#CCSCCn1c(CC2CCCC2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1705664170 WPROMWWOQDMLAQ-UHFFFAOYSA-N 453.616 2.198 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OCC)cc1 1705674276 DQTPCRUKRMGXCI-NFBKMPQASA-N 473.599 2.050 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(OCC)c1 1705716359 IJZBEPMEITZZQK-FQEVSTJZSA-N 463.604 2.460 30 10 JEEE C=C(Cl)Cn1c(-c2cccn2C)nnc1N1C[C@@H]2[C@H](C1)[C@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1705751132 AWGIXHJUIFRSJN-BFYDXBDKSA-N 497.021 2.163 30 10 JEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCNC(=O)c2ccc(C)cc2)CC1 1705780886 JVOLUXUMCSBSJP-KRWDZBQOSA-N 460.604 2.029 30 10 JEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(Cn2cc(C)cn2)CC1 1705805212 BRBGBTBWLFSQCN-NRFANRHFSA-N 491.662 2.389 30 10 JEEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(N(C)C(=O)OCC)CC1 1705888058 CCLRHDVJUGXEFD-UHFFFAOYSA-N 476.603 2.439 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(Cn2cccn2)CC1 1705896383 KPALHGUBWPCOKU-UHFFFAOYSA-N 450.503 2.269 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CSCCS2)c1 1722305055 CHLMLBROIZJREB-LJQANCHMSA-N 484.651 2.419 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCc1cccnc1)[C@@H]1CCS(=O)(=O)C1 1722359392 LZHURZNKTYPMOD-HXUWFJFHSA-N 466.523 2.118 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CC[S@](=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1722361314 YWKTYXQESDKUTN-BCOMRZATSA-N 452.602 2.020 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cn2ccsc2n1 1722383515 IPOOSXZUFZWTQD-GOSISDBHSA-N 481.582 2.417 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[C@@H]1COCCO1 1722403641 YVNNBOQCAHMAQC-HSALFYBXSA-N 457.575 2.317 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cn4ccccc4n3)n2C[C@@](C)(O)CCC)CC1 1722449305 PIPQIFCIKMKISC-VWLOTQADSA-N 463.586 2.034 30 10 JEEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CCO)Cc1ccc(Br)s1 1722685307 CVHWUKVBMFYNPH-GFCCVEGCSA-N 461.407 2.189 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(COc3ccccc3F)n2CCC(=O)N2CCOCC2)C1 1722721608 HNILHSQUSITATM-SFHVURJKSA-N 459.522 2.026 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(c2c(F)cccc2OC)CC1 1722728883 ZWDXWOPWBCOUMK-UHFFFAOYSA-N 474.562 2.348 30 10 JEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N(C)Cc1ccc2cnccc2c1 1722730429 RGHVHIUMMQLILA-UHFFFAOYSA-N 468.583 2.186 30 10 JEEE C=CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1722734718 IUERASWIYNNINA-NQIIRXRSSA-N 491.683 2.425 30 10 JEEE CCCN1CC[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(NC(=O)COC)CC2)C1 1728119156 HIPPKFANFVNJGB-HXUWFJFHSA-N 465.602 2.280 30 10 JEEE CN(C[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(C)(C)O)C1)S(C)(=O)=O 1729468320 DGYHJXSBOKHGAX-SFHVURJKSA-N 460.604 2.086 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CC(=O)N1CCN(c2ccccc2)CC1 1740557618 MMNAITRWXMODRX-LJQANCHMSA-N 491.621 2.076 30 10 JEEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1740583232 NAVOYJBSRFIMQT-QGZVFWFLSA-N 495.447 2.464 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1Cc1ccnc(-n2cccn2)c1)[C@@H]1CCS(=O)(=O)C1 1740616981 JYZNWMCUGABZEO-IEBWSBKVSA-N 453.572 2.047 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1Cc1c(CC)nn(C)c1CC)[C@@H]1CCS(=O)(=O)C1 1740620877 SLQXWPLPRJCVLQ-HXUWFJFHSA-N 491.621 2.350 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H]2CCOC[C@@H]2OC)CC1 1740699649 OERXLHRBYRLTCY-RXVVDRJESA-N 459.978 2.317 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccn2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1740757799 RRPOPJOFJMCHRM-QUCCMNQESA-N 460.604 2.087 30 10 JEEE C=C(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1740777650 UQEKTJPXFCEPJZ-UHFFFAOYSA-N 453.934 2.094 30 10 JEEE C=CC1CCN(c2nnc(-c3noc4c3COCC4)n2CCCN(C)S(=O)(=O)CC)CC1 1740837102 GNMVVSVPOHNKOP-UHFFFAOYSA-N 464.592 2.080 30 10 JEEE C=CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1740865415 NIMRRNWSZHCHGZ-GOSISDBHSA-N 472.615 2.454 30 10 JEEE C=CCCOCCn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1740886648 NMCFGQIYGGQYKL-LJQANCHMSA-N 460.604 2.054 30 10 JEEE C=CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCN1CCOCC1(C)C 1740939164 SQDDCWRRTIPMMC-UHFFFAOYSA-N 457.575 2.466 30 10 JEEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C(=O)NCCCOC)CC1 1740950468 QKWDLAXEOHWSGI-LJQANCHMSA-N 492.621 2.142 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1740963992 DQAVRXBVJWHKLJ-HOYKHHGWSA-N 455.559 2.106 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1C[C@H]1CN(Cc2ccccc2)CCCO1 1741134462 BGSMLKOXBKTDHZ-RBBKRZOGSA-N 465.602 2.287 30 10 JEEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1748697462 JAPJMPFTROPZQH-SFHVURJKSA-N 460.579 2.048 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Cl)n1CC1([S@@](C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1748810081 RVJABOQAPVIIPI-PEGYKEAPSA-N 467.016 2.136 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCC[C@@H]1NC(=O)NC1=O 1748868396 VZOGSMZAUQLADW-PMACEKPBSA-N 462.554 2.486 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(COc4ccccc4)o3)n2CC(=O)NCC(F)F)CC1 1748983641 WUBIHNQSWCHEAI-UHFFFAOYSA-N 484.507 2.254 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccccc3Br)n2CCCn2ccnn2)CC1 1748984595 VYDGXBOITFKYAK-UHFFFAOYSA-N 455.364 2.145 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[S@](=O)C(C)(C)C)CC1 1748999069 HMRBSODTTYZLEI-YTTGMZPUSA-N 454.600 2.031 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC2=CCCOC2)CC1 1749001093 HYELXIOPLCGUDK-UHFFFAOYSA-N 476.581 2.460 30 10 JEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 1749019907 FHUZHSYWYLRDJN-UHFFFAOYSA-N 460.648 2.258 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1ccc(COC)o1 1749268465 AUCIKIVCTBYKGF-AEFFLSMTSA-N 485.994 2.444 30 10 JEEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1749672646 ZVRNNJDYQIPBAJ-UHFFFAOYSA-N 498.582 2.122 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H]2CCCCO2)nnc1N1CCN(S(C)(=O)=O)CC1 1749690846 VQYDUMKJJUPGNI-FQEVSTJZSA-N 461.588 2.214 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1749729717 PJRYFQJRVOMMNG-SFHVURJKSA-N 470.599 2.357 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC(=C)Br)[C@@H]1CCS(=O)(=O)C1 1760184301 VHNLXXCZIRQFBR-MRXNPFEDSA-N 480.344 2.389 30 10 JEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(N(C)C)c(F)c1 1760248821 RBOZBZDVOBTGOO-UHFFFAOYSA-N 454.506 2.345 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCn1ccc2ccccc21 1760249771 SRSUPDVXMSHHDX-FQEVSTJZSA-N 455.584 2.311 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCOCCOC 1760292531 CWMOUVGUYHVNMM-XMMPIXPASA-N 450.543 2.330 30 10 JEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(=O)c2cc(C)oc2C)CC1 1760432855 NTCDHZOSYOLZHI-INIZCTEOSA-N 478.619 2.463 30 10 JEEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)NCc2ccc(C)c(F)c2)CC1 1760510416 WYLSSQTWLQQBES-LJQANCHMSA-N 475.590 2.347 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1760553235 OZKHIZHOSQSMSP-DLBZAZTESA-N 461.588 2.194 30 10 JEEE C=CCSCCn1c([C@H]2CCCCO2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1760565296 TUCQZXDBQVDDKO-GOSISDBHSA-N 457.604 2.259 30 10 JEEE CCN(CC)CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)C)CC1 1764982566 ACMWNYFTMSUUGX-UHFFFAOYSA-N 453.591 2.375 30 10 JEEE COC(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CCCC2)C1 1767894654 DQIVADNKZANRQS-SFHVURJKSA-N 457.556 2.173 30 10 JEEE CO[C@@]1(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CC(C)(C)CN2CCOCC2)CCOC1 1768215692 BRVISYSSUXOFRV-RUZDIDTESA-N 468.602 2.417 30 10 JEEE COc1ccc(Br)cc1Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C#N)C1 1769949654 HTGSGDRFEQPPPU-INIZCTEOSA-N 475.347 2.062 30 10 JEEE C=CCn1cc(OCC(=O)Nc2ccccc2C(=O)OCC)c(=O)cc1CN1CCC(CO)CC1 1870391359 QIUIPCHRANGLSW-UHFFFAOYSA-N 483.565 2.433 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)Nc2ccccc2C(=O)OCC)cn1CCO 1870392413 QOGDXKXDFQSWOM-UHFFFAOYSA-N 469.538 2.209 30 10 JEEE CCCCCCCCCCn1cc(OCC(=O)NCC)c(=O)cc1CN(CCO)CCO 1870532383 WCFMCWBHEHROPY-UHFFFAOYSA-N 453.624 2.291 30 10 JEEE N#Cc1ncccc1OCC1CN(C(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1 1891880424 QOSKAPHWUIJJSV-UHFFFAOYSA-N 458.515 2.030 30 10 JEEE CC1(C)OB(c2cnccc2C(=O)N2CCN(C(=O)OCc3ccccc3)CC2)OC1(C)C 2247782371 VKFJOCPCXWWXRW-UHFFFAOYSA-N 451.332 2.475 30 10 JEEE CN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1)[C@H]1CCN(C(=O)OCc2ccccc2)C1 2247825547 GEHYYCLMTCACKV-KRWDZBQOSA-N 454.336 2.192 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NC[C@@H]2C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C2)C1 2255159097 KOGQBTYKARKNEX-OVXWWFRRSA-N 451.564 2.074 30 10 JEEE CCN(CCNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2255933076 KJIRRZGKRAQONB-UHFFFAOYSA-N 475.442 2.119 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1CN2S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2255947812 DNVPKVBXCVEWAW-UONOGXRCSA-N 470.422 2.430 30 10 JEEE CCC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)c(C)nn1C 2267145878 JFWDLBDSXFGMBX-HNNXBMFYSA-N 450.389 2.451 30 10 JEEE C[C@@H]1C[C@@H](NC(=O)C(F)(F)F)CN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2267373759 HXNFDOARVPQQCG-VXGBXAGGSA-N 482.355 2.125 30 10 JEEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)ccc1F 2268653629 PPROFQSUGUEZNG-CXAGYDPISA-N 452.332 2.015 30 10 JEEE Cc1nc(NC(=O)[C@@H]2CN(C(=O)OC(C)(C)C)CCS2)ncc1B1OC(C)(C)C(C)(C)O1 2268715479 IQNJXYTUCQYHJT-HNNXBMFYSA-N 464.397 2.375 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(CNC(=O)CN(C)CCNC(=O)OC(C)(C)C)s1 2268723711 YZEJGQPZSHJRGV-UHFFFAOYSA-N 467.441 2.428 30 10 JEEE CCc1nn(C)c(C(=O)NCCCN(OC)C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2281978609 GINZUHCRSPQYJJ-UHFFFAOYSA-N 466.388 2.200 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CC12CCC2 2281989587 BMEFLHCTKGIYJH-OAHLLOKOSA-N 460.384 2.476 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N=[S@](C)(=O)C[C@H](C)NC(=O)OC(C)(C)C)n1 2281995787 HLVCVDZYYBQSLJ-RPLXOIEJSA-N 484.428 2.353 30 10 JEEE CC1(C)OB(c2cc(C(=O)NC[C@]34CN(Cc5ccccc5)C[C@@H]3CCO4)ns2)OC1(C)C 2282005557 QDWQZYZQUHWKPJ-UUOWRZLLSA-N 469.416 2.463 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CC1(C)C 2282023054 KXYCSWJBAKOBQP-OAHLLOKOSA-N 460.384 2.399 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC1CCN(C(=O)OC(C)(C)C)CC1 2282053328 UJJUZOIBZDMCAP-UHFFFAOYSA-N 462.400 2.405 30 10 JEEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1N(C)C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2282192624 ZUOJVCBWDXXGTO-WBVHZDCISA-N 460.384 2.493 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H]2OCCN(C(=O)c3ncsc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2282519557 KKXOAOBODJTSDW-LSDHHAIUSA-N 479.408 2.293 30 10 JEEE Cc1nn(C)c(C(=O)N2C[C@@H](C)C[C@H](NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2282558054 DRGSYQSFEHHVHP-HOCLYGCPSA-N 462.400 2.403 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 2282588236 SZUXSLCERFFOHX-MRXNPFEDSA-N 462.400 2.499 30 10 JEEE CN([C@H]1CCCN(Cc2ccccc2)C1)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282851700 FZCDHRKZDSRNDB-IBGZPJMESA-N 474.436 2.004 30 10 JEEE C[C@@H](NC(=O)[C@]1(CO)CCN(C(=O)OC(C)(C)C)C1)c1nscc1B1OC(C)(C)C(C)(C)O1 2284019465 YSFOIEBFHXEILL-JLCFBVMHSA-N 481.424 2.239 30 10 JEEE CN(C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2284038537 ITJSRNDBRSJDOT-MRXNPFEDSA-N 466.363 2.303 30 10 JEEE CC[C@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)N1CCN(CC=Cc2ccccc2)CC1 2330952343 VEPNWFPQVTTWFM-NRFANRHFSA-N 452.580 2.361 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1[C@@H]2C[C@H]1CN2C(=O)OC(C)(C)C 2359278467 VJACIDHIZSJYSI-XHSDSOJGSA-N 460.384 2.013 30 10 JEEE CC(C)(C)OC(=O)N[C@H](C(=O)N1CCc2scc(B3OC(C)(C)C(C)(C)O3)c2C1)C1COC1 2361637324 GAEMRAJATWBZEJ-SFHVURJKSA-N 478.420 2.472 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(C)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C 2362332093 LJCUFFOEEUHXLP-INIZCTEOSA-N 462.400 2.499 30 10 JEEE CCn1cc(C(=O)N(C)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2F)nc1B1OC(C)(C)C(C)(C)O1 2369668224 ZLVIGYZQRPGIHM-GOEBONIOSA-N 466.363 2.232 30 10 JEEE NS(=O)(=O)c1ccc(NC(=O)CSc2n[nH]c(N/N=C/c3ccc(Cl)cc3)n2)cc1 20833511 CJFMHQJIBKFQOV-AWQFTUOYSA-N 465.948 2.282 30 10 JEEE CCOC(=O)c1c(NC(=O)CSc2n[nH]c(N/N=C/c3cnn(C)c3)n2)sc2c1CCC2 59310923 MPUNIMRKSNDJBW-IFRROFPPSA-N 474.572 2.442 30 10 JEEE COc1cc([C@@H]2c3c(nc(N4CCCC[C@@H]4C)[nH]c3=O)NC(=O)[C@@H]2C#N)cc(OC)c1OC 72444481 KYLBVZMYFUXMRM-QEORTHHSSA-N 453.499 2.398 30 10 JEEE C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](Oc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 204866684 LFONKNQWQAEQDU-NVXWUHKLSA-N 476.383 2.059 30 10 JEEE CN(C)c1ccc(N2C(=NC(=O)c3ccc4c(c3)OCO4)S[C@H]3CS(=O)(=O)C[C@H]32)cc1 254383278 BIEDCAJMZLHPNA-APWZRJJASA-N 459.549 2.397 30 10 JEEE CCOC(=O)C1=C(COC(=O)CON=Cc2ccc(OC)cc2)NC(=O)N[C@@H]1c1ccc(C)o1 254401125 ZZLZPYGOFOZIAO-OAQYLSRUSA-N 471.466 2.362 30 10 JEEE O=C(Oc1ccc(C=NNc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1)c1ccccc1 254697976 GAYXWYJSKSMVDX-UHFFFAOYSA-N 489.536 2.210 30 10 JEEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)CC1 512713794 HDSZUWMFHBBUIA-KRWDZBQOSA-N 452.515 2.223 30 10 JEEE C#CCN(C(=O)c1cccc(S(=O)(=O)N(C)c2ccc(C)cc2)c1)[C@H]1CCS(=O)(=O)C1 729331933 RSJUCLMSRIYGOV-FQEVSTJZSA-N 460.577 2.083 30 10 JEEE COCCn1c(=C(C#N)C(=O)c2cc(C)cc(C)c2)sc(=Cc2cnn3ccccc23)c1=O 729671296 FQYUIEMAFVPYGH-UHFFFAOYSA-N 458.543 2.207 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)NS(=O)(=O)c3ccc(C#N)cc3C(F)(F)F)cc2C1=O 918534750 RMYNDVBDZGXRFX-UHFFFAOYSA-N 463.393 2.478 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)Nc3cc(S(=O)(=O)N(C)C)ccc3NCC)cc2C1=O 1137714979 XTVNRDOELIIBON-UHFFFAOYSA-N 456.524 2.403 30 10 JEEE Cc1cc(C(=O)N2CCN(c3cc(C#N)ccn3)CC2)ccc1NS(=O)(=O)C(F)(F)F 1141312319 FVVWCHBQZMOWLO-UHFFFAOYSA-N 453.446 2.486 30 10 JEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc(F)cc1 1153806991 HWWWEWNGQKQQIV-SZNDQCEHSA-N 453.499 2.262 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](c1cccc(OC)c1)N1CCCC1 1286272340 BFAUBHBLGBAKOZ-UEXGIBASSA-N 474.631 2.192 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2C[C@@](C)(O)[C@@H](C)CC)c1 1286312035 QDVQOPBSSFMIHF-AVRWGWEMSA-N 466.586 2.254 30 10 JEEE C#CCCCCn1c(C(=O)NC(CC)CC)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1286314835 RZMREPSEAAYZJW-REWPJTCUSA-N 485.677 2.379 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H](C)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1286388357 NWLLRYBHNBKCKJ-ICSRJNTNSA-N 487.626 2.073 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ccc(OC)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 1286390249 ZGJAWMLSXUXBIW-MRXNPFEDSA-N 472.958 2.072 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N[C@@H](C)CC)CC1 1286487875 QJHIMKSVZYEYMQ-SFHVURJKSA-N 461.570 2.087 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccc(Cl)c2C)CC1 1286494065 RFCUXTLCKIVMNO-IBGZPJMESA-N 490.029 2.156 30 10 JEEE C=C(Br)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1286534195 QFXDAJVKHIYCCT-UHFFFAOYSA-N 493.793 2.434 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1286549206 WKOQEPSVGYWLAJ-MZYLBHOOSA-N 487.693 2.394 30 10 JEEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 1286700769 QWRQNUCFZTUPJB-NVXWUHKLSA-N 462.572 2.217 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1286792139 NBYYHSLLQQKXER-OAQYLSRUSA-N 495.628 2.358 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(C)C)CC1 1286793644 IJILBAZGGWMICA-SFHVURJKSA-N 461.611 2.183 30 10 JEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H]1c1ccc(O)cc1 1286824333 YFZWKMYKHBEBBB-LJQANCHMSA-N 459.572 2.048 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)c1ccc(F)cc1 1286966649 AOSRTCFUVSCXGL-MDZRGWNJSA-N 464.567 2.150 30 10 JEEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCO[C@@H]2C)CCN1CC(F)(F)F 1291223461 HLPRHLCHIMNIQC-WHSLLNHNSA-N 464.492 2.429 30 10 JEEE CCC(CC)(Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N)SC 1291931849 COEQVEMRBRLFHG-HZPDHXFCSA-N 458.654 2.129 30 10 JEEE COC(=O)[C@@H](CNC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)Cc1ccc(O)cc1 1292984368 BUAAPDWQCJQCFP-SJORKVTESA-N 455.898 2.418 30 10 JEEE CNC(=O)[C@@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[S@@](=O)C(C)(C)C)C1 1299031952 CNAYMKCKGCFJQM-FLASPHMUSA-N 472.615 2.238 30 10 JEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@](C)(c2ccccc2)C1 1300363735 FWAOPIIJAWDYIJ-URXFXBBRSA-N 487.626 2.167 30 10 JEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2cccc(C)c2)CC1 1300365588 ZZZVQGMOCWICOG-QFIPXVFZSA-N 486.642 2.050 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1CCN1CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1300502261 ROPWUTSDOUZZHV-UNMCSNQZSA-N 455.628 2.174 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(NC(=O)C2CCC2)c1 1300671129 CHFNSWGRBVRCFI-HXUWFJFHSA-N 485.610 2.053 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CC(F)(F)c2ccccc2)CC1 1300710543 FRWWXKMXROWSHJ-UHFFFAOYSA-N 470.524 2.272 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC2([S@@](C)=O)CC2)CC1 1300717031 VWOUQDILVJVZTG-UUWRZZSWSA-N 491.564 2.423 30 10 JEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](c2ccc(OC)cc2)C1 1300733394 JUAJQLSPPGFHOC-AEFFLSMTSA-N 463.629 2.257 30 10 JEEE C=C(Cl)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](Cn2cccn2)C1 1301023592 HTXFETMWCDMUKU-KRWDZBQOSA-N 462.963 2.203 30 10 JEEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1301237740 WYGFEIKUCLTSDU-UHFFFAOYSA-N 473.666 2.102 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1301483188 JVPPGCPNBVKFCZ-XDHUDOTRSA-N 471.558 2.039 30 10 JEEE CC(=O)N(C)C1CCN(c2nnc(-c3ccccc3C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1301635886 VELCSFMUJCQHSY-GYHWCHFESA-N 477.569 2.227 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN1Cc1ccccc1 1301967726 FXWHSANFVSJIAG-HLAWJBBLSA-N 456.616 2.441 30 10 JEEE CC[C@@H](Cn1c(C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C)NC(=O)OC(C)(C)C 1305805869 DFKZVUGFEQQHKX-RDJZCZTQSA-N 455.567 2.267 30 10 JEEE Cc1nsc(N2CCN(C(=O)N[C@@H]3CCCN(C(=O)Cc4ccccc4)C3)CC2)c1C#N 1312568353 FWTYGPVVMQGCCV-LJQANCHMSA-N 452.584 2.389 30 10 JEEE COCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1316067768 AAVJUDLCFMXANP-GLDPYIMESA-N 454.575 2.168 30 10 JEEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(=O)N(C)C1CCCCC1 1358949160 UJBZMTADDXONFA-UHFFFAOYSA-N 450.591 2.313 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1nncn1CC 1359026523 AROBVMPXKRVRMK-KRWDZBQOSA-N 458.567 2.096 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccc(OC)c(OC)c2)CC1 1359047823 UYWGXEAOGCOXRF-HXUWFJFHSA-N 453.543 2.161 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2cc(Cl)ccc2C1 1359122130 ZOUCOKPIMAZBOK-SFHVURJKSA-N 451.980 2.403 30 10 JEEE C=C(Cn1c([C@@H](C)OCCOC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1)c1ccccc1 1359137777 ANEQOUKLKQUWAG-UYAOXDASSA-N 468.558 2.188 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1ccoc1C 1359301152 SZNPGVIJVXYHPS-SFHVURJKSA-N 474.562 2.427 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCc2ccc(OC)cc2)nnc1N1CCc2c(ccnc2O)C1 1359334925 VARYEGJPKDQJJU-UHFFFAOYSA-N 483.594 2.336 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1359335322 IATJBWOODZCYOX-VXKWHMMOSA-N 490.626 2.459 30 10 JEEE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3ccccc3Cl)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1359357457 GXYJZXUUSHNNMW-JEBJBBSMSA-N 497.987 2.430 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@@H](c1cccc(F)c1)N(C)C 1360677758 GTDZSUPVAXAYFV-UZLBHIALSA-N 477.610 2.460 30 10 JEEE CC[C@@H](C)N(C)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@H](C#N)C1 1496114336 AWEDAKZAKQLZEP-VQIMIIECSA-N 459.982 2.321 30 10 JEEE CCO[C@@]1(c2nnc(N(C)Cc3ccc(C#N)cc3)n2CCC2(O)CCOCC2)CCOC1 1502634622 CZSGVALUALESOH-DEOSSOPVSA-N 455.559 2.370 30 10 JEEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1503254184 FSAZFUYHVXLZOI-UHFFFAOYSA-N 498.531 2.146 30 10 JEEE CNS(=O)(=O)c1cccc(Cn2c(-c3cccnc3)nnc2N(CCC#N)CC2CC2)c1 1503828542 IDMHWKDOAYTBNC-UHFFFAOYSA-N 451.556 2.427 30 10 JEEE COCC(C)(C)CCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1504543243 AOFITVFDOUGHBI-GOSISDBHSA-N 483.621 2.246 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1Cc1ncccc1N(C)C)[C@H]1CCS(=O)(=O)C1 1507624610 CIHOXUAXAOBBTM-IBGZPJMESA-N 480.594 2.090 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2cccc(Cl)c2)C1 1507830631 NJYKBOALEBIOKG-RBUKOAKNSA-N 482.006 2.418 30 10 JEEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(Cn2cccn2)CC1 1507933790 BIRZEAAAICATJU-HXUWFJFHSA-N 477.635 2.080 30 10 JEEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 1507962977 ZEBRRSCJNVKYJK-KRWDZBQOSA-N 458.588 2.154 30 10 JEEE C=CCN(c1nnc(-c2cc(Br)cn2C)n1CCC[C@@H]1NC(=O)NC1=O)C1CC1 1507988767 VOWFHGDNHDBRTM-AWEZNQCLSA-N 462.352 2.189 30 10 JEEE C=CCN(CC=C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1CCCN1S(C)(=O)=O 1508022361 XFSMHILEEIPPKQ-HXUWFJFHSA-N 486.646 2.055 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC(Oc2cncc(Cl)n2)CC1 1508136271 DOEBXHLSDYBABD-UHFFFAOYSA-N 489.989 2.432 30 10 JEEE C[C@H]1COC(C)(C)CN1c1nnc(COc2ccc(C#N)cc2)n1Cc1ccc(C(N)=O)nc1 1520861035 AOWASTQAZJGFNC-INIZCTEOSA-N 461.526 2.275 30 10 JEEE N#Cc1ccc(OCc2nnc(N3CCC[C@H](C(N)=O)C3)n2C[C@@H]2CSCCS2)cc1 1521101221 AKXDEYHWMZQZBM-FUHWJXTLSA-N 458.613 2.279 30 10 JEEE C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3ncc4c(c3C#N)COCC4)cc2)C[C@H](C)O1 1529114885 BBEZAKYNJDCVOK-GJZGRUSLSA-N 456.524 2.076 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCOc1ccc(S(C)(=O)=O)cc1 1538977055 SHPHHXMSNYFDLH-JPYJTQIMSA-N 476.599 2.259 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H](OC)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1539216501 SYBSZGKIABPCTJ-SFTDATJTSA-N 451.552 2.355 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN(C)C(=O)OC(C)(C)C 1539257186 GUZKBNRBJMWKSO-UHFFFAOYSA-N 475.553 2.132 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCN(C(=O)OC(C)(C)C)C2CC2)CC1 1539463162 VVNNNAPXWJUNGZ-FPOVZHCZSA-N 488.633 2.157 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2CCCCN2CCOCC2)CC1 1539484421 OPBOWBRZGZHXRV-UHFFFAOYSA-N 456.635 2.089 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(=O)N1CCOCC1 1539556959 XFZMFICMOPZZRI-UQBPGWFLSA-N 486.617 2.244 30 10 JEEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2nc(C)cs2)CC1 1539967165 OPPSNYHQJXALNN-GOSISDBHSA-N 495.675 2.059 30 10 JEEE C=CCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1540853778 NQKSPAPRERSUAI-RDJZCZTQSA-N 458.950 2.021 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1540866044 AZGQEFMRZHKZBK-MRXNPFEDSA-N 496.996 2.044 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCC(C)(C#N)CC2)nnc1[C@]1(OC(C)C)CCOC1 1540908973 TWUOIPAKUACVCH-NRFANRHFSA-N 451.593 2.050 30 10 JEEE CC[C@@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CC1CCN(C(C)=O)CC1 1545545920 HCXSAXGDUFPGEK-MSOLQXFVSA-N 465.606 2.427 30 10 JEEE CCCn1nc(-c2nnc(N3CCC(C#N)CC3)n2CC(=O)NC(C)C)c2ccccc2c1=O 1547214107 APPMUOXAQLFQAB-UHFFFAOYSA-N 462.558 2.330 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCOc1ccccc1C)[C@@H]1CCS(=O)(=O)C1 1588054972 QTGUCEFOPJEMMB-VQTJNVASSA-N 458.584 2.186 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2C[C@H]2CN(CC(C)C)CCO2)CC1 1588946685 HKMLVCTXVHOYPA-HSZRJFAPSA-N 496.631 2.331 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CCN2c3ccccc3C[C@@H]2C)CC1 1588968833 QXFYYNGXIOMMMD-IBGZPJMESA-N 450.587 2.232 30 10 JEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)C[C@H]1CN(CC)c2ccccc2O1 1589060699 WWFAYNWPTNXHEG-ROUUACIJSA-N 454.600 2.319 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(CCc2ccc(OC)cc2)n1CC1(O)CCS(=O)(=O)CC1 1589233283 HHSFHVZUHPALIZ-HSZRJFAPSA-N 472.611 2.004 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](CN2CCCCCC2)C1 1593636944 USQPNLJHPXWNMG-SFTDATJTSA-N 480.679 2.280 30 10 JEEE C=C(Cl)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1593818291 QVAPVWZHTJJXOI-MRXNPFEDSA-N 478.956 2.483 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1595250398 DKXKBKVTUGEANS-ZWKOTPCHSA-N 482.507 2.320 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1CCC[C@@H](C)C1 1595302814 FHOFMLIYPWVSMN-RTBURBONSA-N 453.653 2.330 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCN(c2cnccn2)CC1 1595476374 KLPBPWVYEBNFRS-HXUWFJFHSA-N 476.585 2.454 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCn2nc(C)nc2C1 1595506805 NDPNDOFIIXTKAD-UHFFFAOYSA-N 475.326 2.069 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCO[C@]2(CCOC2)C1 1595506881 PACOWFGICGQOID-HXUWFJFHSA-N 480.338 2.145 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 1595529783 HWKVLJZIGPKBFV-QGZVFWFLSA-N 455.563 2.444 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1595593365 BQXSGBUMXQPHSE-UHFFFAOYSA-N 499.635 2.293 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cccc(NC(=O)OC)c2)C1 1595722927 OZWWHHZSTYNQGV-IEBWSBKVSA-N 475.571 2.188 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1595776997 GWBZXFJYZPFHDH-UHFFFAOYSA-N 487.611 2.253 30 10 JEEE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3ccc(Cl)cc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1595978275 UQIMSLPLHLNXTL-BIBRTQAFSA-N 497.987 2.430 30 10 JEEE CC(=O)N1CCN(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCCCCC2)CC1 1596296531 GSPCYSGKRGIRMJ-UHFFFAOYSA-N 451.575 2.273 30 10 JEEE CCC[C@H](Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@](F)(C#N)C1)OC 1614396676 ICCJCZVZNAEIGN-UTKZUKDTSA-N 464.567 2.452 30 10 JEEE C[C@H]1CN(CCN(C)c2nnc(-c3cccc(C#N)c3)n2CC2([S@](C)=O)CC2)C[C@@H](C)O1 1620319414 ARRBCHKGAICODN-OKJTYZQLSA-N 456.616 2.273 30 10 JEEE CCOC(=O)[C@H](NS(=O)(=O)N(CC)CCC#N)c1c(C)nn(-c2ccc(F)cc2)c1C 1662021268 HBPYSOCMZDWAKA-LJQANCHMSA-N 451.524 2.302 30 10 JEEE COCC[S@](=O)Cc1cccc(NC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1 1669153143 FFPJMVPHSFORIF-KTBRYMIGSA-N 454.552 2.376 30 10 JEEE C#CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1689929832 FUURBFPFSFQIPT-FQEVSTJZSA-N 489.642 2.433 30 10 JEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1cccc(C(F)F)c1)[C@@H]1CCS(=O)(=O)C1 1689978223 PFHCWAKIZZDRRL-GOSISDBHSA-N 477.537 2.127 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H](C)c1ncc(C)s1)[C@@H]1CCS(=O)(=O)C1 1689991763 BZUKURAGUPVIRV-VQIMIIECSA-N 470.624 2.459 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCC[C@H]1CC)[C@@H]1CCS(=O)(=O)C1 1689998226 GGPZSVVZCBKGHD-IFLJBQAJSA-N 464.632 2.455 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(OC)c(OC)c2)CC1 1690132650 VJCCYJRCUJEJRZ-UHFFFAOYSA-N 480.594 2.090 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2CC2CCN(C(C)=O)CC2)CC1 1690148351 DICUAKHDQXVXKI-UHFFFAOYSA-N 498.578 2.371 30 10 JEEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1690235196 ZFSJHAKORYDWOQ-FPXQBCRKSA-N 457.369 2.295 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1ccc(COC)o1 1690288136 JOASNPYGIWXDKV-MJGOQNOKSA-N 465.576 2.268 30 10 JEEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1690674117 PGGVGBDROGMAGZ-OSWQYVSFSA-N 469.586 2.147 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC(c2ccc(O)cc2)CC1 1690714205 HHVNPPXBFRVRFM-UHFFFAOYSA-N 473.599 2.205 30 10 JEEE CC(C)N(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1693831288 HOEAGHHLCOYNPV-NTKDMRAZSA-N 454.575 2.453 30 10 JEEE CCc1ccc(-c2nnc(N3CCN(c4nccnc4C#N)C[C@H]3C)n2CC(=O)N(C)CC)cc1 1694514228 AZBLWDKVHNIYQE-GOSISDBHSA-N 473.585 2.363 30 10 JEEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)c2nc(C)cs2)CCO1 1696962147 GZCFODWUBFRDMS-KDOFPFPSSA-N 451.556 2.337 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CC[C@@H](OC)C(F)(F)F)c1 1705505134 JLGKSPRBTYRIDB-DLBZAZTESA-N 478.475 2.253 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2CCCN2CCC(O)CC2)c1 1705507162 TUARVTKDQXOQHI-UHFFFAOYSA-N 487.608 2.167 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1C[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1705559511 BSPPXAYEMWLYPH-XUVXKRRUSA-N 488.610 2.480 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCCCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1705567285 VLKYVERAFDJTHY-VQTJNVASSA-N 460.604 2.132 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2F)n1CCN/C(O)=C1\N=CC=CC1=O 1705576744 OSVBSPKJPDYGGC-XUTLUUPISA-N 452.877 2.337 30 10 JEEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](C(=O)NCCCC)C1 1705691603 ITYNXBQXNPRXIF-MRXNPFEDSA-N 467.412 2.442 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1705709865 SJUSDGRZRJTHKR-OHCHIEETSA-N 474.650 2.175 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(CC)s2)CC1 1705769319 OYBNXKNSKYKFOC-GOSISDBHSA-N 451.618 2.440 30 10 JEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(Oc2ccc(F)cc2F)CC1 1705890710 DJBVBQNRAISKQP-IBGZPJMESA-N 483.541 2.123 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H](C)[C@@H]1C 1705931401 OUTUHVJNVNXBGW-SJORKVTESA-N 481.644 2.031 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1CCC[C@H]1OC)[C@H]1CCS(=O)(=O)C1 1722360625 VNWFCEQITYAPRZ-LQBOVUBWSA-N 488.610 2.404 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1Cc1cnc(C)s1)[C@H]1CCS(=O)(=O)C1 1722370871 RGVFYHVSZOODIH-INIZCTEOSA-N 475.571 2.436 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1c(F)cccc1OC(F)F 1722384846 YMRMXXVODZKXDH-AWEZNQCLSA-N 452.458 2.042 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1CCc1cccc(C(=O)N(C)C)c1 1722402636 DKFPNVMIRRITSH-GOTSBHOMSA-N 463.582 2.410 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@H](F)COC)CC1 1722441309 KZTWCKIFMNDLCK-MSOLQXFVSA-N 450.559 2.090 30 10 JEEE C=C(C)CN(CC)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1722515500 SPHBATFIUYTRMM-GOSISDBHSA-N 457.604 2.201 30 10 JEEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1722638347 XGPKBUGLQKULED-QGZVFWFLSA-N 485.589 2.344 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CCN(C2CCOCC2)CC1 1722704190 PXVHHLJVSZMIJV-UHFFFAOYSA-N 470.643 2.482 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2cc3ccccc3[nH]2)C1 1722709865 AQTUXPNPWTZPEU-APWZRJJASA-N 458.588 2.394 30 10 JEEE C[C@H](CC#N)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1CCN1CCCS1(=O)=O 1723770701 AWHDZICURPIQCV-CQSZACIVSA-N 454.503 2.320 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(Br)s2)n1CC(=O)N1CCOCC1 1740650100 OTZHOQWZCPVMDK-UHFFFAOYSA-N 462.373 2.091 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(CS(C)(=O)=O)cc2)CC1 1740693319 XZMLHIGBZPDBSO-UHFFFAOYSA-N 485.013 2.342 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2C[C@@H]2CCN(CC)C2)CC1 1740703908 GWWAYEVOEQZXHC-LJQANCHMSA-N 450.587 2.261 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCCOC[C@@H]2CCCO2)CC1 1740706649 YXGQJRGMLGKHQN-SFTDATJTSA-N 459.591 2.071 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1NC(=O)CC1(C)C 1740731407 AYGJZATYYYDQSW-QJMRKGMQSA-N 486.617 2.493 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(OC)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1740765953 FDNXJNVXCGELEQ-FQBFJXBRSA-N 486.569 2.207 30 10 JEEE C=CC1CCN(c2nnc(-c3nn(CCC)c(=O)c4ccccc34)n2CCS(=O)(=O)N(C)C)CC1 1740837882 YSZRPBTWSASZBB-UHFFFAOYSA-N 499.641 2.359 30 10 JEEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1740876940 XRMNXVFNLGEDTA-QGZVFWFLSA-N 458.563 2.484 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@](C)(C(=O)NC)C1 1740952982 SFDQFVVPHPUHQO-NYHFZMIOSA-N 460.966 2.336 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)[C@@H]1CC[C@H](SCC)C1 1740956497 MIVVCSSFNRKOAL-MOPGFXCFSA-N 467.603 2.333 30 10 JEEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1740958851 HMYOUPDOTZPDBL-QHCPKHFHSA-N 489.646 2.182 30 10 JEEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1740963121 ZWWSFGXOVINBHA-QGZVFWFLSA-N 450.509 2.438 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 1740966685 VPAMPFAASAQYMF-WFXMLNOXSA-N 474.631 2.249 30 10 JEEE C=CCSCCn1c(N2CCC(C(=O)N3CCOCC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1741004453 AVBBHEMAJJAABD-DEOSSOPVSA-N 493.674 2.313 30 10 JEEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(COc2ccc(F)cc2)n1C[C@@H](C)N(C)C 1741864082 HAVPKSFBHRLNDU-MSOLQXFVSA-N 479.564 2.323 30 10 JEEE C[C@H]1CN(C(C)(C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCOCC2)C[C@H](C)O1 1743196169 CERYXHOIVVYHDO-OALUTQOASA-N 454.575 2.453 30 10 JEEE CC[C@@H](C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCCN1CCN(CC)CC1 1743745813 CKYXZKQYMYIOCY-OAQYLSRUSA-N 465.650 2.412 30 10 JEEE CCC(O)(CC)Cn1c(Cc2cccnc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1744194848 CJOLEGQOJQABBH-UHFFFAOYSA-N 463.590 2.055 30 10 JEEE CN(c1nnc(COc2ccc(C#N)cc2)n1CC[C@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1747656033 FSMRGNMWZLINRT-RBUKOAKNSA-N 459.572 2.311 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1CC1(N2CCOCC2)CCCCC1)[C@H]1CCS(=O)(=O)C1 1748804527 ISNBRPKUHRYZPE-RTWAWAEBSA-N 477.675 2.453 30 10 JEEE C#CCSCCn1c(Cc2ccsc2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1749045211 XWNKBMIAYCUDMW-UHFFFAOYSA-N 458.657 2.041 30 10 JEEE C=C(Br)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1749091673 CYCFQTVYULHFCA-ZDUSSCGKSA-N 471.377 2.494 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2OC)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1749123118 AXXFFINRIPHGMJ-WFXMLNOXSA-N 475.615 2.405 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H]1CCO[C@H](C)C1 1749158312 GRWBYBFVTWXCCH-QYZOEREBSA-N 455.625 2.219 30 10 JEEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(Cc2cc(OC)cc(OC)c2)CC1 1749199414 PTJBZZWJSKLQHT-UHFFFAOYSA-N 454.575 2.316 30 10 JEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2cc(F)cc(F)c2)CC1 1749678058 URTHXILGFXIKRO-UHFFFAOYSA-N 470.528 2.047 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCN2CCN(C(C)=O)CC2)C1 1749715766 VHTUZWGYYKURHJ-JOCHJYFZSA-N 473.021 2.468 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCC[C@H]1c1nncn1C 1749724214 IVAZYSKWEDNVBN-SFHVURJKSA-N 457.560 2.025 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N(C)[C@H]1CCCN(c2ccccc2)C1 1749736020 YGCHANIHFTYSDK-CTNGQTDRSA-N 459.616 2.488 30 10 JEEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2nccs2)C[C@@H]1C 1749898159 AVROHBKOJNYOSE-KRWDZBQOSA-N 453.572 2.390 30 10 JEEE C[C@H]1[C@@H](C)SCCN1c1nnc(COc2ccc(C#N)cc2)n1CCN1CCCS1(=O)=O 1752459858 ABQZUKIBMWRCOT-DLBZAZTESA-N 476.628 2.094 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCN1CCCO[C@@H](C)C1 1760112018 ZAZCPIDEOUHWOS-OALUTQOASA-N 463.586 2.151 30 10 JEEE C#CCCCn1c(N2CCN(c3cccc(OCC)n3)CC2)nnc1[C@@]1(OCC)CCOC1 1760159730 NSIOOQDRKJDICB-XMMPIXPASA-N 454.575 2.464 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@@H]1CCC[C@@H]1OC)[C@H]1CCS(=O)(=O)C1 1760183126 MOZMQRAIAHOWCC-ZJOUEHCJSA-N 458.584 2.396 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@]2(C)CN(C)C2=O)CC1 1760265628 GDUPVZHVPXTBGY-DCFHFQCYSA-N 492.624 2.479 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(C)nc4ccccc34)n2C[C@H](COC)OC)CC1 1760267189 UUCUOWIYOQJLPW-HXUWFJFHSA-N 476.581 2.429 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OC)n2C[C@@H]2CC=CCO2)CC1 1760273033 GTNVKQJOZVZQBX-FQEVSTJZSA-N 465.554 2.177 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1760380680 KPYSUZSGRWAASC-OWCLPIDISA-N 469.970 2.463 30 10 JEEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCc1nccnc1C 1760504431 ZLXRSLQAFXMHRG-UHFFFAOYSA-N 460.542 2.172 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Br)cc2)nnc1N1CCc2oncc2C1 1760527065 XYMZTTANCOHDGG-UHFFFAOYSA-N 473.331 2.473 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C2CCCCC2)C(=O)C1 1760529079 WMTWUFRJACNDID-DENIHFKCSA-N 472.634 2.480 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(NC(=O)N(C)C)cc2)C1 1760533887 OODDBDIVOWZVNO-FQEVSTJZSA-N 467.574 2.437 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2sccc2[C@@H]1CC 1760548455 GXCVTPPYDUWJBZ-ZBFHGGJFSA-N 487.673 2.064 30 10 JEEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 1760562263 CPLOIFLKXHRQFJ-LJQANCHMSA-N 479.676 2.429 30 10 JEEE CCc1ccccc1OCc1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@]1(O)CCS(=O)(=O)C1 1762663360 FCZSHARMUVTNFI-PKTZIBPZSA-N 473.599 2.099 30 10 JEEE C[C@@H]1OCC[C@]1(O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@](C)(C#N)C1 1763265824 AQAIXRRVGDOUDW-USCONSEESA-N 459.572 2.019 30 10 JEEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@](C)(OC)C2CC2)C1 1767252112 GSUBPYBVMMAXIS-DENIHFKCSA-N 458.588 2.150 30 10 JEEE CCO[C@]1(c2nnc(N(C)Cc3ccc(C#N)cc3)n2C[C@@H](C)N2CCN(CC)CC2)CCOC1 1767388486 FLWKNGJOBPKEPY-QFQXNSOFSA-N 481.645 2.464 30 10 JEEE CNC(=O)[C@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CCCC2)C1 1767607161 FHKPXNHUXUOHMH-JOCHJYFZSA-N 470.599 2.137 30 10 JEEE CN(c1ccc(NS(=O)(=O)c2ccccc2C#N)cn1)S(=O)(=O)c1ccc2c(c1)OCCO2 1858272448 RYUSKSRACARCCY-UHFFFAOYSA-N 486.531 2.350 30 10 JEEE COCCc1nc(Nc2ccccc2C#N)cc(N2CCN(C(=O)CCN3CCCC3)CC2)n1 1868262169 MGPNZYIUWKXJLP-UHFFFAOYSA-N 463.586 2.415 30 10 JEEE C=CCOc1ccccc1OCC(=O)Nc1nc(N2CCC(C)CC2)nn1[C@@H]1CCS(=O)(=O)C1 1869940659 WASZXVFVUAETQG-GOSISDBHSA-N 489.598 2.456 30 10 JEEE CCCNC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1ccc(C(=O)OC)cc1 1874338269 OHUGLGWEEKRKJR-LLXCYVELSA-N 486.598 2.290 30 10 JEEE COC(=O)c1ccc(/C=N/n2c(CNC(C)=O)nnc2SCC(=O)Nc2ccccc2F)cc1 1874431656 XCLUPEOVDCZUNV-OPEKNORGSA-N 484.513 2.453 30 10 JEEE COc1ccc2nc(N3CC(C(=O)N4CCC[C@H](Oc5nccnc5C#N)C4)C3)sc2c1 1891599987 KLJQRVWXHFHQBR-INIZCTEOSA-N 450.524 2.473 30 10 JEEE CC1(C)OB(c2ccccc2CNS(=O)(=O)N2CC(OCc3ccccc3)C2)OC1(C)C 2105645916 LZJLBXNOGUCMDZ-UHFFFAOYSA-N 458.389 2.221 30 10 JEEE Cn1cc(C(=O)NCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)c(=NC(=O)OC(C)(C)C)[nH]1 2185151667 OQAYAOHVYMTHAV-UHFFFAOYSA-N 456.352 2.418 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1[C@H]2C[C@@H](CN(c3ncccc3B3OC(C)(C)C(C)(C)O3)C2)[C@@H]1CO 2241123893 NGBPMPYBAPATMI-LSTDLKDCSA-N 459.396 2.339 30 10 JEEE CC(C)(C)OC(=O)NCC1(O)CCN(c2nccc(B3OC(C)(C)C(C)(C)O3)c2F)CC1 2266073259 WSIDNCBZLSENRL-UHFFFAOYSA-N 451.348 2.376 30 10 JEEE CN(C[C@H](O)CNC(=O)OC(C)(C)C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1F 2266983173 DEFPRHTWSRNSLJ-OAHLLOKOSA-N 452.332 2.083 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2O)s1 2267108689 YANIRXRYXWYMNU-HOTGVXAUSA-N 466.409 2.456 30 10 JEEE CCc1nc(C(=O)NCCOCCNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2267170073 QMJNEOFDDVLCPX-UHFFFAOYSA-N 469.413 2.276 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@@H](CNC(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)C1 2267192034 LEAZMLLJARYFTR-HNNXBMFYSA-N 450.341 2.192 30 10 JEEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)CCO1 2267291174 MMBGCOGICJWNNC-ZBFHGGJFSA-N 450.341 2.333 30 10 JEEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@@H]3CN(Cc4ccccc4)CCO3)s2)OC1(C)C 2267366530 HOYUVFZOGYICTJ-GOSISDBHSA-N 478.445 2.227 30 10 JEEE C[C@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(O)cc1O)[C@@H](C)NC(=O)OC(C)(C)C 2267805281 HQEVOAQSFBXFHC-QWHCGFSZSA-N 450.341 2.429 30 10 JEEE C[C@@H](CCNC(=O)OC(C)(C)C)CCNC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2268690641 OVKPWDIYTNXCFV-OAHLLOKOSA-N 450.389 2.390 30 10 JEEE C[C@@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)O)c1nscc1B1OC(C)(C)C(C)(C)O1 2268716142 MHNZLDBZNDNEAF-IUODEOHRSA-N 469.413 2.284 30 10 JEEE C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2269701653 MXUDGARFKIGNIF-SUMWQHHRSA-N 452.332 2.015 30 10 JEEE CC(C)(C)OC(=O)N1CCn2c(COc3cccc(B4OC(C)(C)C(C)(C)O4)n3)nnc2C1 2281451101 CFBYCCXUGHVCKR-UHFFFAOYSA-N 457.340 2.302 30 10 JEEE Cn1ncc(C(=O)N2C[C@@H]3CC[C@@]3(CNC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2281809987 YNCPIMJFIYNHDZ-NPMXOYFQSA-N 460.384 2.096 30 10 JEEE C[C@@H](NC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 2281811869 KLOJFXXLMKNSRA-HZPDHXFCSA-N 462.400 2.485 30 10 JEEE Cn1nc(C(=O)N2C[C@H]3C[C@@H](CN(Cc4ccccc4)C3)C2)cc1B1OC(C)(C)C(C)(C)O1 2281960306 XVRGLZMQCMMRSH-PMACEKPBSA-N 450.392 2.313 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H]2OCCN(C(=O)c3csnc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2281997419 BIWIJSOWTKHEOZ-HOTGVXAUSA-N 479.408 2.293 30 10 JEEE Cc1nc(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)CCN2C)c(B2OC(C)(C)C(C)(C)O2)s1 2282020684 BMIXYCCETDBCIG-OAHLLOKOSA-N 480.440 2.032 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CCC1(C)C 2282537255 NNXKQZWAHIEXSS-INIZCTEOSA-N 462.400 2.485 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCC[C@@H]3[C@@H]2CCN3C(=O)OC(C)(C)C)n1 2282555489 UGBXKJBYQYEYQJ-SJORKVTESA-N 460.384 2.333 30 10 JEEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@H](F)[C@H](NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C2 2282585028 ICGPMIAEAGDPBG-DRPJVOAASA-N 464.347 2.317 30 10 JEEE COc1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2C[C@@H]2NC(=O)OC(C)(C)C)cc1OC 2282590558 CQHKBZCGQIGFRR-HOTGVXAUSA-N 462.352 2.398 30 10 JEEE Cc1c(C(=O)N2C[C@H](F)C[C@H]2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282593619 SVEZUXHZWZOGTR-CABCVRRESA-N 466.363 2.105 30 10 JEEE CON(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nn(C)c1C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2282595494 VDOFPAWPOYHMQC-HNNXBMFYSA-N 464.372 2.041 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CC2(C1)CS(=O)(=NC(=O)OC(C)(C)C)C2 2282691756 OGKVCOKWQXFEIJ-UHFFFAOYSA-N 479.408 2.183 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H]2CN(C(=O)c3ncncc3B3OC(C)(C)C(C)(C)O3)CC[C@@H]21 2282706029 GYALTDNUBINADE-RDJZCZTQSA-N 458.368 2.247 30 10 JEEE CN1CCN(Cc2ccccc2)[C@H](CNS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2282849831 HJFMTTSOYNWKFE-LJQANCHMSA-N 491.488 2.142 30 10 JEEE CC(C)(C)OC(=O)N1[C@H]2C[C@@H]1CN(C(=O)c1cc(B3OC(C)(C)C(C)(C)O3)c(O)cc1O)C2 2282980350 MNFRLNFDPVMYFI-OKILXGFUSA-N 460.336 2.231 30 10 JEEE C[C@@H](O)CN(CCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1O)C(=O)OC(C)(C)C 2282981205 BYTCDIZNLCQNBM-OAHLLOKOSA-N 464.368 2.039 30 10 JEEE CC1(C)OB(c2cscc2S(=O)(=O)N[C@@]2(C(=O)O)CCN(Cc3ccccc3)C2)OC1(C)C 2284402802 PHQCOOZNTQQFBO-QFIPXVFZSA-N 492.428 2.055 30 10 JEEE CC(C)(C)OC(=O)N1CC(N2CCC[C@@H]2C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C1 2287377293 UMOKWFNIJUBSQW-OAHLLOKOSA-N 478.424 2.465 30 10 JEEE COCC[C@H](CNC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2315642315 VGZZYZTYSFYWGI-CYBMUJFWSA-N 455.386 2.102 30 10 JEEE COC(=O)CSc1nnc(Cc2ccc(OC)c(OC)c2)n1N=Cc1ccc(O)c(O)c1 2326766204 GZDYAKIJJZKHRY-UHFFFAOYSA-N 458.496 2.445 30 10 JEEE CCOc1ccc(C=NNc2nc3c(c(O)nc(=O)n3C)n2C[C@H](O)COc2ccccc2)cc1 2327751619 VMDISLRIFWHHFO-KRWDZBQOSA-N 478.509 2.120 30 10 JEEE CCCNC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)(C)C)C2)n1N=Cc1ccc(O)c(O)c1 2327841631 WGNYBGBSYKPYQR-OAHLLOKOSA-N 474.587 2.304 30 10 JEEE CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[C@@](C)(B2OC(C)(C)C(C)(C)O2)C1)C1CS(=O)(=O)C1 2342473922 UIJWNYHRKNBFET-YCRPNKLZSA-N 472.413 2.009 30 10 JEEE C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(F)c(F)cc1B1OC(C)(C)C(C)(C)O1 2351768690 ASXDUANAIXJIAD-MEDUHNTESA-N 456.295 2.477 30 10 JEEE CN(C[C@H]1CCCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)C1)C(=O)OC(C)(C)C 2362352784 GJRIIWCISVKEOI-MRXNPFEDSA-N 462.400 2.438 30 10 JEEE COc1[nH]c(=NC[C@@H]2CO[C@H](CNC(=O)OC(C)(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2365346585 WDKHPFWXDNKBOH-CVEARBPZSA-N 463.384 2.153 30 10 JEEE C=CCn1c(Cn2nnc3ccccc32)nnc1SCCC(=O)Nc1ccc2c(c1)C(=O)NC2=O 20291007 RVGABKRHGCKAND-UHFFFAOYSA-N 488.533 2.262 30 10 JEEE COC(=O)c1ccc(/C=N/Nc2nnc(SCCC(=O)Nc3cc(OC)cc(OC)c3)n2N)cc1 20914361 CJTRMAQJALFIPL-ZMOGYAJESA-N 499.553 2.363 30 10 JEEE CC(C)n1cc(/C=N/Nc2nnc(SCC(=O)NC3C4CC5CC(C4)CC3C5)n2N)cn1 20920467 LBOLFHWTNBYGQL-LIMNOBDPSA-N 457.608 2.248 30 10 JEEE COc1ccc(S(=O)(=O)Nc2cc(C(=O)O)ccc2N2CCN(CCC#N)CC2)cc1OC 32961964 GFLPWGUOWMKYLF-UHFFFAOYSA-N 474.539 2.238 30 10 JEEE CCOC(=O)C1CCN(c2nc3c(c(=O)[nH]2)[C@H](c2ccccc2OCC)[C@@H](C#N)C(=O)N3)CC1 72444577 CNLXTGIZKIVLTD-SJLPKXTDSA-N 465.510 2.172 30 10 JEEE CCN1CCN(C(=O)/C(C#N)=c2/s/c(=C\c3ccc(C)cc3C)c(=O)n2-c2ccccc2C)CC1 97993625 GHDVVBDDAZZZDE-ZZMDAARASA-N 486.641 2.491 30 10 JEEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccccc2)c(=O)n1-c1ccc(OC(F)F)cc1 480213807 DSRGWTWFZXMVSS-UHFFFAOYSA-N 453.470 2.282 30 10 JEEE C=CCn1c(SCC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2N(C)C)nnc1C1CC1 503711236 GZKBDVFBONIIHJ-UHFFFAOYSA-N 464.617 2.389 30 10 JEEE C=CCNC(=O)CN1CCN(C(=O)[C@H]2CCC(=O)N(CCCC)[C@H]2c2ccc(OC)cc2)CC1 516388893 XWRSQMBNIXXFNK-DHLKQENFSA-N 470.614 2.221 30 10 JEEE COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1-c1ccc(OC(C)C)cc1 608828578 CVGOWGCGDHHHPW-SFHVURJKSA-N 477.586 2.340 30 10 JEEE C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)OCC(=O)N1CCC[C@H](C(F)(F)F)C1 919014343 QQNUDIHORWWTPJ-NYHFZMIOSA-N 479.455 2.496 30 10 JEEE C=CCn1nc(C)c(C=NNc2nnc(SCC(=O)Nc3ccc(OC)cc3C)n2N)c1C 1084606614 QABFLSGWJZUHQS-UHFFFAOYSA-N 469.575 2.485 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)CSCC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 1128433870 YZDWWSLJYGYEPF-VGSWGCGISA-N 458.584 2.254 30 10 JEEE C=CCn1nc(C)c(-c2cc(C(=O)N(CCNC(C)=O)[C@@H](C)C(=O)OC(C)(C)C)n[nH]2)c1C 1138147979 DASQQQJLNBEPRC-INIZCTEOSA-N 458.563 2.385 30 10 JEEE COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)c2cc(C3CC3)nc(SC)c2C#N)C1 1139811207 GOUUTBKFPRJAJP-OAHLLOKOSA-N 452.602 2.065 30 10 JEEE N#Cc1c(F)cccc1N1CCN(C(=O)c2ccc(Br)cc2-n2cnnn2)CC1 1141255360 IAGIEOWMIMWVTC-UHFFFAOYSA-N 456.279 2.398 30 10 JEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2cccc(C)c2)CC1 1286315635 FKLMSDUTEMUONB-HXUWFJFHSA-N 458.632 2.322 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1CC(C)(C)c1ccccn1)[C@@H]1CCS(=O)(=O)C1 1286387300 PWACZGZRSGXHOA-GOSISDBHSA-N 450.568 2.340 30 10 JEEE C=CCCOCCn1c(-c2cc(Br)cn2C)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1286709231 ZKGIDEVDVBUKPT-OAHLLOKOSA-N 472.409 2.262 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCC1(C)C 1286773410 NKGBTVMTZULKPF-QZTJIDSGSA-N 455.625 2.076 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)ccc2C)nnc1N1CC[C@@H](C(=O)OC)C1 1286822854 INOORHSGRNIQQA-GOSISDBHSA-N 462.572 2.074 30 10 JEEE N#Cc1cn(CCC(=O)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)c(=O)nc1O 1289998944 AEFDWJBWNCPSDF-UHFFFAOYSA-N 458.518 2.385 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC)n2CC2CCN(CCN(C)C)CC2)c1 1300333549 ACEXYSVTTMSSPT-UHFFFAOYSA-N 451.619 2.170 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCCCC1(F)F)[C@H]1CCS(=O)(=O)C1 1300480030 WZZKQXLJEMVDBH-IRXDYDNUSA-N 492.552 2.378 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H](C)COC)[C@H]1CCS(=O)(=O)C1 1300484658 UMGFVJQYTFIPOD-RDJZCZTQSA-N 468.526 2.456 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1CCc1ccc(S(C)(=O)=O)cc1 1300541615 ZCNAXXIXQDVGNK-UHFFFAOYSA-N 472.574 2.236 30 10 JEEE C#CCN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1300641688 IRNRHDZMETYTNR-MXBQBZSESA-N 483.573 2.035 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccncc2)n1CCNS(=O)(=O)c1ccccc1 1300806845 BNQYGUCPKDOCPM-HSZRJFAPSA-N 450.568 2.235 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@H](Cn2cccn2)C1 1301490210 NFULHSVANHVXLM-INIZCTEOSA-N 459.913 2.142 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1301503307 YPJGMZZUSAGKIF-GHTZIAJQSA-N 482.585 2.081 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1CCc2ccc(F)cc2C1 1301568166 PQVNINGHGLPLQL-UHFFFAOYSA-N 463.579 2.499 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)c2ccccn2)CC1 1301588136 XCFQIJGGNOAOKK-UHFFFAOYSA-N 494.621 2.136 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1301588212 DCHLCQVBHJQOOS-RBUKOAKNSA-N 497.662 2.466 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1301588771 JDHZZAYQUKKATL-JKSUJKDBSA-N 465.542 2.193 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC(=O)NCC(F)(F)F 1303635801 FHECFPFNAKYZAN-SFHVURJKSA-N 492.550 2.060 30 10 JEEE C[C@H]1C[C@@H](C)CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1304922508 ASQHZKLGEFXAAQ-WSTZPKSXSA-N 472.615 2.493 30 10 JEEE C#CCN(c1nnc(-c2ccccc2F)n1Cc1ncccc1N(C)C)[C@@H]1CCS(=O)(=O)C1 1358959859 QZUHVBCNXXDLBZ-QGZVFWFLSA-N 468.558 2.220 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CCc1ccc(OC)c(F)c1)[C@H]1CCS(=O)(=O)C1 1358964780 HKVHHQGWGYEQEH-FQEVSTJZSA-N 483.569 2.281 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCCOC2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1358993236 IRUBIBMOMRCFBN-RBUKOAKNSA-N 453.509 2.288 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2C[C@@H](C)CN2CCN(CC)CC2)CC1 1359043295 PIQSTEBFYRBEAH-QFIPXVFZSA-N 491.684 2.493 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CC2CN(C(=O)OC(C)(C)C)C2)CC1 1359044995 TXHAEECXMMIKHW-HXUWFJFHSA-N 486.617 2.005 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC(=O)NCc2ccco2)CC1 1359047741 RKNFLYHQZXMCKQ-IFMALSPDSA-N 496.612 2.072 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1359073438 PLPUSKHOYKQKKR-DYESRHJHSA-N 468.524 2.046 30 10 JEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cc3c(cc2OC)C[C@@H](C)O3)CC1 1359159121 NRNAMFNVIRDKCM-HZPDHXFCSA-N 461.588 2.425 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CC[S@@](=O)CC)C1 1359322515 XBSMVIKPYGUQSL-WHUARKNTSA-N 459.620 2.002 30 10 JEEE CC(=O)NCC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCOCC2(C)C)CC1 1359444351 GGPQDYYGUWKIRZ-UHFFFAOYSA-N 495.628 2.192 30 10 JEEE CC(C)c1ncc(CN(C)c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)cn1 1359675222 HICSXTNRGWQFET-UHFFFAOYSA-N 490.568 2.137 30 10 JEEE C#C[C@@H]1COCCN1C(=O)CCc1nc2cc(S(=O)(=O)N3CCCC3)ccc2n1CCC 1451196528 QOFWMTXJRDYBRO-GOSISDBHSA-N 458.584 2.024 30 10 JEEE C#CCNC(=O)C1CCN(C(=O)c2cccc(S(=O)(=O)N[C@H](C)c3ccccc3)c2)CC1 1459464611 KIXYJDZXCMHTLM-GOSISDBHSA-N 453.564 2.328 30 10 JEEE C=C[C@@](C)(O)CC(=O)NCCN1C(=O)S/C(=C/c2cc(OC)c(OC)c(OC)c2)C1=O 1463948854 XCWGBPDVACIWOX-RBNQXFGJSA-N 450.513 2.192 30 10 JEEE C#CCNC(=O)CN1CCCN(C(=O)Cc2ccc(SCC)cc2Br)CC1 1464843858 BINIMIIAPFOLOD-UHFFFAOYSA-N 452.418 2.387 30 10 JEEE C=CCNC(=O)c1cccc(S(=O)(=O)N(C)Cc2nnc3n2CCC[C@@H]3C(F)(F)F)c1 1475683489 JMHJSYXWSVMJTP-HNNXBMFYSA-N 457.478 2.454 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCC(F)(F)F)nc1 1507539199 SCJDAZVCMWMZIK-HIFRSBDPSA-N 457.478 2.023 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2CC[S@](=O)C(C)(C)C)c1 1507549876 AOFWCXFBCZTBPT-UPTQXZAWSA-N 457.600 2.385 30 10 JEEE C#CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCCS(=O)(=O)C1 1507618775 DLZMMKPQVGURFD-IRXDYDNUSA-N 451.593 2.244 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CC(C)(C)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1507631025 AZOKIDZEGVEIFX-ZWKOTPCHSA-N 495.646 2.450 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCn1cc(Cl)cn1)[C@@H]1CCS(=O)(=O)C1 1507637729 MLHGLULZKHTSRD-GUDVDZBRSA-N 495.049 2.374 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCOC3)n2Cc2ccc(O)cc2)n1 1507716920 OPKNHNURTIANNH-FQEVSTJZSA-N 450.543 2.409 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@H](C)N(C)C)CC1 1507735460 AISCVUNUJIMMPZ-ROUUACIJSA-N 456.566 2.473 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CC2CN(C(=O)OC(C)(C)C)C2)CC1 1507739198 ASJFNMXVEILDAX-UHFFFAOYSA-N 456.591 2.063 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccc(OC)cc3)n2CC2([S@@](C)=O)CCC2)CC1 1507740632 WDAOQQWVJNJNOH-PGUFJCEWSA-N 497.665 2.339 30 10 JEEE C#CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)[C@H](C)CS(=O)(=O)CC 1507752213 WWEJVBQJIVTVAN-APWZRJJASA-N 464.613 2.416 30 10 JEEE C#CCSCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1507754933 QHDARYFBQUJKMA-ZWKOTPCHSA-N 497.687 2.382 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H]2CCCOC2)nnc1N(C)CC(=O)N1CCOCC1 1508106484 YGJGIPILJQJESO-FQEVSTJZSA-N 455.559 2.080 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CC[C@@]3(CCOC3)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1508148951 LSDOQYRLCVKCJG-IEGUWTFLSA-N 495.646 2.266 30 10 JEEE CCOCc1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1516588600 FRPMBTUMIJODFK-HXUWFJFHSA-N 493.534 2.276 30 10 JEEE C[C@H](CNC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)Oc1ccc(Br)cc1 1523561936 AJMVYLNBRQWDHH-GFCCVEGCSA-N 452.330 2.071 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CCN2CCC[C@@H](C)C2)c1 1539039785 HVNCCBYEJJZFPE-LJQANCHMSA-N 460.586 2.467 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@@H]1CCC[C@]2(CCOC2)O1)[C@@H]1CCS(=O)(=O)C1 1539219540 LGOUCTCMIGPMCF-SELNLUPBSA-N 464.632 2.222 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3c(C)cc(Cl)cc3C)n2CCS(C)(=O)=O)CC1 1539431302 QZFJCVJTKDPXRB-SFHVURJKSA-N 480.034 2.488 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@H](C(C)C)N2CCCC2)CC1 1539483309 WMHOXKCDVOLJCM-HSZRJFAPSA-N 463.630 2.350 30 10 JEEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 1539981280 FEULIIMDWIBWHD-HZPDHXFCSA-N 456.613 2.348 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 1540870166 GKPHHLXEWXJLTD-LJQANCHMSA-N 456.547 2.122 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CC[C@@H](CN3CCOCC3)C2)cc1 1540877426 UQBJMBJWMUEDEL-NRFANRHFSA-N 468.602 2.188 30 10 JEEE Cc1ccc(Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CCO[C@H](C#N)C2)c(=O)n1C 1542383012 GGZFAWHNAVVSBC-GOSISDBHSA-N 456.453 2.331 30 10 JEEE C=CCC[C@@H](CO)NC(=O)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 1568993076 SNKKGBHTIFDWJE-ZDUSSCGKSA-N 451.408 2.355 30 10 JEEE C#CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1587766485 VSNZPVHEXZNFIF-FGZHOGPDSA-N 450.587 2.324 30 10 JEEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cc(Cl)c2c(c1)OCCO2 1588088992 FEXBBDIRMAMTMH-HSZRJFAPSA-N 456.930 2.476 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2cccc(OC)c2OC)CC1 1588751187 JGIAOTGUGJSIRR-VWLOTQADSA-N 469.586 2.139 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@](C)(O)C(C)C)CC1 1588899884 ZFJRGKCDSYSPSV-VWLOTQADSA-N 469.586 2.335 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1CCCCC1 1589545625 OGQPZKFCKNPHIU-SXLOBPIMSA-N 467.636 2.361 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)cc2OC)n1CC1(O)CCS(=O)(=O)CC1 1589625945 PPOBPTOCYCNJGD-UHFFFAOYSA-N 464.588 2.304 30 10 JEEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1593666735 SOZFQUTYLWEMNU-UHFFFAOYSA-N 466.633 2.144 30 10 JEEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCCN(C(=O)c2ccccc2)CC1 1593690770 OYKSLLFKZLYTFY-UHFFFAOYSA-N 454.575 2.362 30 10 JEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(Br)s1 1595405260 GXAATAXGNQHXMC-ZDUSSCGKSA-N 476.422 2.257 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCSC[C@@H]1C 1595658720 JEANNJIHHPQGSC-FXAWDEMLSA-N 493.655 2.166 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1595785338 XGUNWNUJGRNCMM-OAHLLOKOSA-N 458.510 2.014 30 10 JEEE CC(C)(C)C(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCOCC2)C1 1596925318 DXHJLDDZLSONOQ-FQEVSTJZSA-N 466.586 2.489 30 10 JEEE Cc1nn(C)c(N2CCN(C(=O)N[C@H](C)c3ccc(NC(=O)NC4CC4)cc3)CC2)c1C#N 1676769735 BJGFZBMGIAFKTL-OAHLLOKOSA-N 450.547 2.477 30 10 JEEE C#CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1689925815 BJBIWUCMGGSBFI-KRWDZBQOSA-N 468.583 2.273 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@H]1N(C)CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1689990065 LFMSAUUGUJEYSW-SLFFLAALSA-N 463.648 2.267 30 10 JEEE C#CCN(c1nnc([C@H]2COc3ccccc3O2)n1CC(C)(C)OCC)[C@@H]1CCS(=O)(=O)C1 1689990480 PBLMEZRGIPSBJU-YLJYHZDGSA-N 474.583 2.232 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1690092419 HPNPTGUHUDEGHB-OAQYLSRUSA-N 499.616 2.200 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2ccccc2)C1 1690238005 DIJMXHFLYBTGGU-WLRLJWMZSA-N 475.615 2.447 30 10 JEEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CNC(=O)c2ccccc2)C1 1690287965 BVWFVFLAGOCSPQ-AZUAARDMSA-N 457.600 2.403 30 10 JEEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1690472715 UMMCDEUSGVJUGV-GOSISDBHSA-N 457.604 2.048 30 10 JEEE C=CCCCn1c(Cc2ccccn2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1690486776 TXHNOXASKCYUEG-QHCPKHFHSA-N 453.635 2.461 30 10 JEEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](COC(C)C)C1 1690644308 CWNKZWATUJVMBK-ZWKOTPCHSA-N 451.568 2.403 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1690720508 KZEGHQOHQHDEAP-IBGZPJMESA-N 484.626 2.107 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CCNc1ncc(Cl)cc1Cl 1692773461 CGSLTSNRVOCVFK-GFCCVEGCSA-N 487.417 2.442 30 10 JEEE CCN(CC)[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1695661605 GLDAHUDTBFWGPC-UXHICEINSA-N 478.645 2.336 30 10 JEEE C#CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1705514899 MUVWOFXSWJLPJK-QGZVFWFLSA-N 468.583 2.009 30 10 JEEE C#CCCCn1c(N2CCN(c3ccc(C(N)=O)cc3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1705538863 BRDSEYSPXFGZDO-VWLOTQADSA-N 466.586 2.158 30 10 JEEE C#CCN(C)c1nnc(-c2ccc(Br)cc2)n1CCCN(CC)S(C)(=O)=O 1705545991 WVKFOPVKTJEDKK-UHFFFAOYSA-N 454.394 2.449 30 10 JEEE C#CCN(c1nnc(-c2cccc(Br)c2)n1C[C@](C)(O)C1CC1)[C@H]1CCS(=O)(=O)C1 1705562232 ZEEQJCUPDWYHHH-RXVVDRJESA-N 493.427 2.495 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1cc(C(C)(C)C)no1)[C@@H]1CCS(=O)(=O)C1 1705569101 ZIUIWELGCGBFOE-GOSISDBHSA-N 485.614 2.100 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(N2CCSCC2)CCCCC1 1705598695 OZGWIJGRYJTYKB-NRFANRHFSA-N 489.711 2.395 30 10 JEEE C#CCSCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC(NS(C)(=O)=O)CC1 1705659536 ZLLUFKXAGSXWGS-UHFFFAOYSA-N 458.613 2.311 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1705693174 CMCZYEYILHDHAR-QYXIYQDXSA-N 474.650 2.479 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1705699618 JHEGHPRPCRACHT-HBFSDRIKSA-N 460.604 2.148 30 10 JEEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1705735547 AIRUXRLHDPQZQA-KRWDZBQOSA-N 459.551 2.058 30 10 JEEE C=CCCOCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](C(=O)OC)C1 1705830607 TULMUIPRLNTCPZ-ROUUACIJSA-N 479.578 2.179 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1705902664 KWNHGZUADPVGEY-HXUWFJFHSA-N 458.010 2.117 30 10 JEEE C=CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1705945254 GJTTWGKSPYSKOU-ROUUACIJSA-N 454.604 2.468 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1c(C)oc2ccccc12)[C@@H]1CCS(=O)(=O)C1 1722358469 HWPQVJGXTKJYLK-QGZVFWFLSA-N 469.567 2.146 30 10 JEEE C#CCN(c1nnc(-c2ccc(Br)cc2)n1CC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1722359542 OJZGJVHWGMSCEY-INIZCTEOSA-N 467.389 2.105 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1Cc1csc([C@H](C)OC)n1)[C@H]1CCS(=O)(=O)C1 1722361682 OHCSJGJAAUFGPY-RDJZCZTQSA-N 474.612 2.123 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H](C)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1722361964 LDBGRJCFYGRYPS-YLJYHZDGSA-N 498.609 2.357 30 10 JEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1C[C@H]1OCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1722370901 FRHPUYBFSHHBNS-SYYKKAFVSA-N 472.611 2.124 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CCCS(=O)(=O)c1ccccc1 1722397703 MQLZMMWXYMLDIL-UHFFFAOYSA-N 479.562 2.333 30 10 JEEE C#CCN1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CC(CC)(CC)OC)CC1 1722438653 WXVGDWTZLSUQJF-UHFFFAOYSA-N 473.647 2.199 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cn(C)c3ccccc23)n1CCOCCS(C)(=O)=O 1722470271 OXWGZOMHWQLTCN-HSZRJFAPSA-N 455.584 2.490 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(-c3ccccc3)on2)n1CCS(=O)(=O)N(C)C 1722471666 NAAPKLRXNLHUFX-JOCHJYFZSA-N 454.556 2.484 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN(CC)C(=O)OC(C)(C)C 1722473422 CWFFAWUCCVBVHI-VGOFRKELSA-N 465.620 2.429 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1722523327 NLBNLIGVIJOEHD-NRFANRHFSA-N 468.583 2.352 30 10 JEEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1722535836 PBNYAKSPZYUGFS-FCHUYYIVSA-N 457.623 2.279 30 10 JEEE C=C(Cl)Cn1c(Cc2ccccc2OC)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1722551864 FUMQTHZEKGRNDN-LJQANCHMSA-N 458.950 2.397 30 10 JEEE C=CC1CCN(c2nnc(Cc3ccccc3OC)n2CC2(O)CCS(=O)(=O)CC2)CC1 1722582551 LXJIPQGFBPXVRR-UHFFFAOYSA-N 460.600 2.220 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2ncccc2c1 1722672356 OSMNWXPRFDUKNS-OAQYLSRUSA-N 468.583 2.386 30 10 JEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1ccc(F)cc1F)C1CC1 1722685523 IXMIOBHVIFGLJB-GOSISDBHSA-N 453.515 2.244 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]1Cc1cccs1 1722727616 KCGDWJJOFXSLLR-IRXDYDNUSA-N 484.669 2.054 30 10 JEEE C=CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1722740815 ZMAPHGQYPNYGGD-UHFFFAOYSA-N 486.598 2.306 30 10 JEEE CC(=O)Nc1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(S(C)(=O)=O)CC2)cn1 1722807478 FPFVWZUMOHVHIW-UHFFFAOYSA-N 479.566 2.232 30 10 JEEE CCCNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCOCC2)C1 1728170408 CGLUOIXIBCNJJQ-FQEVSTJZSA-N 452.559 2.101 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2CC2(S(C)(=O)=O)CCC2)c1 1740564228 FORFMRHGIFVBQC-UHFFFAOYSA-N 492.605 2.287 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccc(Cl)cc1OC)[C@H]1CCS(=O)(=O)C1 1740619986 BIDPANVRVKTQLZ-SFHVURJKSA-N 474.974 2.016 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(F)cc2Br)n1CC(=O)NCC1CC1 1740681347 HVKRPJSSQNTWQS-UHFFFAOYSA-N 464.339 2.459 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(C(=O)NCCC)c1 1740725296 OYQUNGVKUBISKG-UZUQRXQVSA-N 472.615 2.069 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1740756897 LLUKRNNPFBRPLY-SBHAEUEKSA-N 458.607 2.294 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CC2CCOCC2)CC1 1740843738 PAIHIRAYPYYJAQ-GOSISDBHSA-N 468.668 2.039 30 10 JEEE C=CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H](C)CS(C)(=O)=O 1740877384 XXXFJWQJEVHUTF-SJORKVTESA-N 471.624 2.422 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(N3CCC(CO)CC3)cc2)C1 1740970505 MUNVNPAVBWJYKL-HSZRJFAPSA-N 482.629 2.455 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@H](COC)OC)C1 1740980350 JARMVIWLTBLMFC-QYZOEREBSA-N 481.594 2.029 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H]1c1csc(C)n1 1740985564 IQDJIICBIMNEMV-MRXNPFEDSA-N 452.606 2.124 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1740987355 FKLZQWKFUVRHDW-SFTDATJTSA-N 460.600 2.493 30 10 JEEE CCCCN1CCCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1 1745488784 GFJVJRHVCDHYPZ-PKOBYXMFSA-N 451.641 2.283 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1csc(C(C)(C)C)n1 1748962975 VPCJYDJNVANFGF-MRXNPFEDSA-N 465.645 2.263 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCN(CC)C(C)C)CC1 1749010253 JHVOCLZHCKGREJ-UHFFFAOYSA-N 480.613 2.412 30 10 JEEE C#CCSCCn1c(N2C[C@@H](C)OC3(CCOCC3)C2)nnc1[C@]1(OCC)CCOC1 1749047665 BUALFYHSINJYQU-GCJKJVERSA-N 450.605 2.071 30 10 JEEE CO[C@H]1CCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1749156114 HVKXVZBESSOZSK-CTNGQTDRSA-N 472.615 2.492 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nccs1 1749584830 RZRPFTIHTNPZEV-LJQANCHMSA-N 488.639 2.351 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1749659237 ZGNZNZZGVOJXFO-VQIMIIECSA-N 489.418 2.167 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC2(CC1)COC(=O)N2 1749724670 LFKYIJHMEJPSSE-INIZCTEOSA-N 493.561 2.237 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@H](C)c1ccc(F)c(F)c1 1749731812 KXBJUIYMUIKDGN-DYVFJYSZSA-N 453.515 2.306 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1Cc1cccs1 1749734512 KCGDWJJOFXSLLR-IAGOWNOFSA-N 484.669 2.054 30 10 JEEE CC(=O)N1CCC[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(CC(C)C)C(=O)C2)C1 1749825951 BRQHOTLGGRLUQY-JOCHJYFZSA-N 493.612 2.292 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1Cc1cccc(N2CCOCC2)n1 1760198690 HBIYGLLXGFXRTE-UHFFFAOYSA-N 472.549 2.315 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)(C)C)n2C[C@@]2(N(C)C)CCSC2)n1 1760252596 PZFNWQRLWRBGCQ-QHCPKHFHSA-N 459.664 2.496 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(F)ccc3Br)n2Cc2cnn(C)c2)CC1 1760255229 WKCULMQRDLMEOT-UHFFFAOYSA-N 458.339 2.384 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CSc3ccccc3OC)n2C[C@]2(O)CCO[C@H]2C)CC1 1760273342 PRMSJBRTELKISQ-AVRWGWEMSA-N 499.637 2.085 30 10 JEEE C#CCSCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)CC(=O)N1CCOCC1 1760275099 PVJMOYNEXCLXTC-KRWDZBQOSA-N 461.563 2.219 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1CC1(S(C)(=O)=O)CCCC1 1760299508 XGLXMYYQVYPWTC-BBTUJRGHSA-N 450.605 2.352 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2CCN2CCN(C(C)=O)CC2)C1 1760543230 NVHBXLGQMYSCNK-LJQANCHMSA-N 474.556 2.093 30 10 JEEE CCCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1766262267 GWKXBMLLAXGJQB-UHFFFAOYSA-N 489.628 2.250 30 10 JEEE CN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 1768456185 GOMGTRVPDIHYNH-FQEVSTJZSA-N 450.465 2.435 30 10 JEEE N#Cc1cccc(C(=O)NCc2ccc(S(=O)(=O)NC(=O)NCCCCCC(=O)O)cc2)c1 1858651110 FQYKJMQADCGAAH-UHFFFAOYSA-N 472.523 2.121 30 10 JEEE O=C(C1=C(O)C(=O)N(CCCN2CCOCC2)[C@H]1c1ccc(O)c(O)c1)c1cccc(O)c1 1862592164 WQMSPZGYVXUYIY-NRFANRHFSA-N 454.479 2.104 30 10 JEEE CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccccc1C(=O)O 1862608183 IRDDBXXMOXLBLO-HXUWFJFHSA-N 452.463 2.296 30 10 JEEE C=CCOc1ccccc1[C@H]1C(C(=O)N2CCN(C)CC2)=C(N)Oc2c1c(C(F)(F)F)nn2C 1865226417 PUVOZTXKMKEIHJ-MRXNPFEDSA-N 477.487 2.472 30 10 JEEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1cccc(F)c1 1865724231 JIXKXWARGDUEBS-QGZVFWFLSA-N 458.534 2.394 30 10 JEEE CSCC[C@H](NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1)C(=O)N1CCC(CO)CC1 1868784649 XVLUNEHEILGMOG-PMACEKPBSA-N 478.684 2.494 30 10 JEEE C=CCN1CC(=O)C(c2nc3ccccc3s2)=C1NC(=O)CN1C(=O)c2ccccc2C1=O 1873675672 KCHUYORFDUCNSD-UHFFFAOYSA-N 458.499 2.448 30 10 JEEE CC(C)N1C(=O)CS[C@H](C(=O)NCC2(O)CSCCSC2)[C@H]1c1ccc(C#N)cc1 1889980176 LWHUDKKZHCJLJZ-MOPGFXCFSA-N 465.666 2.279 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@](CO)(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2255623711 QQWHPKRUKPDPMX-OAQYLSRUSA-N 452.382 2.149 30 10 JEEE CC(C)(C)OC(=O)N1CC(NS(=O)(=O)Cc2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2255933932 WEMCVDPJSXHZBW-UHFFFAOYSA-N 452.382 2.025 30 10 JEEE CC(C)(C)OC(=O)NCC[S@@](C)(=O)=NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2255954482 ZMXDJIOEQLPOPU-SSEXGKCCSA-N 494.466 2.359 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)cs1 2256623545 RGUZEQKWOGAXGP-ZBFHGGJFSA-N 452.382 2.034 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)CC1(C)C 2256629666 XQTYVABYMZLRPI-LBPRGKRZSA-N 452.386 2.233 30 10 JEEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)[C@H](CO)CNC(=O)OC(C)(C)C 2256679301 WBQIPHQYPAWTMT-AWEZNQCLSA-N 454.398 2.139 30 10 JEEE CC(C)(C)OC(=O)NCCc1nc(NC(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)n[nH]1 2266993203 YCNVZASOZVZLAV-UHFFFAOYSA-N 463.369 2.485 30 10 JEEE CC(C)(C)OC(=O)N1CC=C[C@@H]1CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2267369173 SWVVAJOXBLNXRO-QGZVFWFLSA-N 464.393 2.440 30 10 JEEE Cc1nc(C(=O)NCCOCCN(C)C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2267485058 DAJWIBQQRNUVRF-UHFFFAOYSA-N 469.413 2.364 30 10 JEEE C[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 2267500443 JAPVKIVRPCTJIV-QWHCGFSZSA-N 468.791 2.358 30 10 JEEE CC(C)(C)OC(=O)NCC(=O)NCC(=O)Nc1cc(Cl)ccc1B1OC(C)(C)C(C)(C)O1 2268649115 ARWLPPQGLZBUKZ-UHFFFAOYSA-N 467.759 2.219 30 10 JEEE CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCN1c1cccc(B2OC(C)(C)C(C)(C)O2)n1 2281507270 YJSZLQPMTQAGAW-INIZCTEOSA-N 461.368 2.370 30 10 JEEE Cc1cc(C(=O)NC2(CO)CCN(C(=O)OC(C)(C)C)CC2)oc1B1OC(C)(C)C(C)(C)O1 2281969114 IXUZYDKFXFXSBL-UHFFFAOYSA-N 464.368 2.379 30 10 JEEE Cn1cc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]3CC[C@@H]23)c(B2OC(C)(C)C(C)(C)O2)n1 2281971842 KXCNXICYJLASMA-USXIJHARSA-N 460.384 2.237 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 2282005415 PMMPEBDAHFKNGU-GDBMZVCRSA-N 462.400 2.403 30 10 JEEE Cc1nc(C(=O)NCC[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2282027166 MNIXNLXLPHWMDK-JOCHJYFZSA-N 481.424 2.243 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)[C@H](CO)C1 2282174528 GLVGTQRBOITUKE-HKUYNNGSSA-N 460.380 2.334 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)[C@@H]2COC[C@@H]12 2282190966 UBDSKYFJUVHXSB-IPMKNSEASA-N 458.364 2.350 30 10 JEEE C[C@H]1CN(C(=O)OC(C)(C)C)[C@H](C)CN1S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282350853 SPBISTCHNATWNI-CVEARBPZSA-N 481.424 2.399 30 10 JEEE CC(C)(C)OC(=O)N1CCCC[C@H]1CNS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282353301 VAEFKGFLIIZNSA-KRWDZBQOSA-N 481.424 2.449 30 10 JEEE CN(C[C@@H]1CCCN1C(=O)OC(C)(C)C)S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282354556 RXWZAQLXSCHNDH-KRWDZBQOSA-N 481.424 2.401 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)O)N(C(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)C1 2282528086 MPGQAQZNLYQVPL-GXTWGEPZSA-N 481.380 2.025 30 10 JEEE Cc1c(C(=O)NC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282555205 PQCPIKNHBWKFFE-INIZCTEOSA-N 462.400 2.405 30 10 JEEE Cn1ncc(C(=O)N2C[C@H](CNC(=O)OC(C)(C)C)C(C)(C)C2)c1B1OC(C)(C)C(C)(C)O1 2282570358 FZFZPWIHMCMYJU-HNNXBMFYSA-N 462.400 2.342 30 10 JEEE Cc1nn(C)c(C(=O)N2C[C@H](CNC(=O)OC(C)(C)C)C[C@H]2C)c1B1OC(C)(C)C(C)(C)O1 2282585429 LRZVENHEZCTITK-ZBFHGGJFSA-N 462.400 2.403 30 10 JEEE Cc1c(C(=O)N2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282593150 MKPOCQAFNBEUFN-MRXNPFEDSA-N 462.400 2.499 30 10 JEEE CC(C)(C)OC(=O)N1[C@H]2CCC[C@H]1CN(C(=O)c1ncc(B3OC(C)(C)C(C)(C)O3)cn1)C2 2282613435 BGMOVMDOCMESTF-IRXDYDNUSA-N 458.368 2.390 30 10 JEEE C[C@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)C[C@H](C)C1NC(=O)OC(C)(C)C 2282618951 PCGNUTMADUYDHH-GJZGRUSLSA-N 462.400 2.341 30 10 JEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1CCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2282624512 MOGWGTIKJOGZJP-HOTGVXAUSA-N 462.400 2.342 30 10 JEEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1N(C)C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2283058495 FBYNKUBRXCXENM-HZPDHXFCSA-N 460.384 2.493 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCOC[C@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2284023759 XQXKMHMOOWBSMO-ZBFHGGJFSA-N 465.331 2.388 30 10 JEEE CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CCc2c(cccc2B2OC(C)(C)C(C)(C)O2)C1 2284066694 XDKMZNDHDKFLDO-QGZVFWFLSA-N 460.380 2.146 30 10 JEEE Cn1c(=O)nc(O)c2c1nc(NN=CC=Cc1ccccc1)n2C[C@@H](O)COc1ccccc1 2293689696 ROSYVEXWZIQEIQ-GOSISDBHSA-N 460.494 2.387 30 10 JEEE CN[C@@H](C#Cc1cccc(Br)c1)[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 2296224033 GNTGSZSOAMTUPZ-DLBZAZTESA-N 457.390 2.423 30 10 JEEE CCCCN1C(=O)C(=Cc2c(C)c(C#N)c(=O)n(CC)c2N2CCN(CCO)CC2)SC1=S 2314426206 QFZLELBKXLSSCD-UHFFFAOYSA-N 489.667 2.164 30 10 JEEE COc1cccc(CCc2nnc(SCC(N)=O)n2N=Cc2ccc3c(c2)OCCO3)c1 2328624312 MBHWDPPTTJCXRS-UHFFFAOYSA-N 453.524 2.303 30 10 JEEE Cc1ccc(Cc2nnc(SCC(N)=O)n2N=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 2329966394 FRNSDXZSMRUAQT-UHFFFAOYSA-N 468.495 2.316 30 10 JEEE CC(C)(C)OC(=O)NCCN1CCN(c2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)CC1 2345723641 CUJBDRPVTFFDJR-UHFFFAOYSA-N 450.364 2.167 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](CO)[C@@H](NC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)CC1 2362565252 BSJHXAZOBABDKH-ZBFHGGJFSA-N 481.424 2.180 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@@H]1CNc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2365061433 UUYBAMTYIVQKDW-AKYQPKDSSA-N 461.368 2.479 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)NC(=O)NC34CC5CC(CC(C5)C3)C4)cc2C1=O 9701730 LWSOMYDVFVFZAO-UHFFFAOYSA-N 465.506 2.420 30 10 JEEE COc1ccc(NC(=O)CCSc2n[nH]c(N/N=C/c3c(C)nn(CCO)c3C)n2)cc1 59888110 NNJFUZCMHLSOFS-CIAFOILYSA-N 458.548 2.186 30 10 JEEE CCOC(=O)[C@@H]1CCCN(c2nc(O)c3c(n2)NC(=O)[C@H](C#N)[C@H]3c2cc(F)cc(F)c2)C1 256034209 XOKBNUBNQBVACZ-HFBAOOFYSA-N 457.437 2.464 30 10 JEEE N#Cc1cccc(COc2ccc(NC(=O)C(=O)NCCCN3CCCS3(=O)=O)cc2Cl)c1 609089682 RSLRZXADTOZMKC-UHFFFAOYSA-N 490.969 2.271 30 10 JEEE CCc1nnc(CNC(=O)CSc2n[nH]c(NN=Cc3ccc(N(CC)CC)cc3)n2)o1 1084091189 VUVBBPXDPGKDKS-UHFFFAOYSA-N 457.564 2.451 30 10 JEEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCN(CC(=O)N4CCCC[C@H]4C)CC3)n[nH]2)c1C 1136165039 NCHPAKJTGHDARD-QGZVFWFLSA-N 453.591 2.235 30 10 JEEE CCN(CCC#N)C(=O)CN1CC[C@@H](c2ccc(OC)c(F)c2)[C@@H](NC(=O)C(F)(F)F)C1 1171804374 AFYUYHZLXGGPTH-RDJZCZTQSA-N 458.456 2.433 30 10 JEEE C=CCN1CC[C@H](N2CCC[C@@H](c3cc(N4CCN(C(=O)OC(C)(C)C)CC4)n[nH]3)C2)C1=O 1174798331 OSPIMBVMXXNYNV-QUCCMNQESA-N 458.607 2.433 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H](C(C)C)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1286387913 WLFPVVNHICAOFC-TZIWHRDSSA-N 456.616 2.087 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2CC[S@](=O)CC)CC1 1286474989 ULIRGHVONRSXAJ-GDLZYMKVSA-N 480.432 2.240 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@](C)(O)c2ccco2)CC1 1286494096 ZUWMHPYJQMMASJ-RUZDIDTESA-N 481.528 2.463 30 10 JEEE C#CCSCCn1c(Cc2ccncc2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1286508485 SGOPFAJHMOISNI-NZQKXSOJSA-N 481.670 2.009 30 10 JEEE C=C(Br)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1286530037 DVQPEPATQILEGM-UHFFFAOYSA-N 481.314 2.369 30 10 JEEE C=CCCOCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCO[C@@H](CNC(C)=O)C1 1286712012 WMPUYSKYBNBJBY-IBGZPJMESA-N 452.559 2.371 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c(C2CC2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O)C(C)C 1286751462 PXOTVUDAJKZQIR-LJQANCHMSA-N 455.607 2.375 30 10 JEEE C=CCN(CCOC)c1nnc(-c2cc3ccccc3o2)n1CC1(O)CCS(=O)(=O)CC1 1286765111 AUDXYCCSAMIHPZ-UHFFFAOYSA-N 460.556 2.270 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 1286820635 ONLXFNSPXFNMAL-YLJYHZDGSA-N 492.598 2.191 30 10 JEEE CC(=O)N1CCN(CCn2c(COc3ccc(C#N)cc3)nnc2N(C)Cc2ccco2)CC1 1286888848 AREXWBHBCJQOMJ-UHFFFAOYSA-N 463.542 2.122 30 10 JEEE C=CCOc1cccnc1C(=O)NC[C@@H](O)COc1ccc(I)cc1 1294804500 ONFGUFIODCKOAT-CQSZACIVSA-N 454.264 2.421 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3OCC[C@H]3COC)n2Cc2cc(C)no2)c1 1300337261 XCPIUVWOWNJADX-AVRDEDQJSA-N 464.526 2.403 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1300482324 FCUSKJUPFZIBCF-LBPRGKRZSA-N 480.310 2.235 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC(=O)NCC=C)[C@H]1CCS(=O)(=O)C1 1300483212 IUAQYXLKGBCSJA-AEFFLSMTSA-N 492.001 2.000 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1Cc1ccc(-n2cncn2)nc1 1300506560 UYEQHAVTJBEMSU-UHFFFAOYSA-N 465.521 2.244 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCCCCC2)nc1 1300556138 COTYVVURPIXIHN-FQEVSTJZSA-N 483.642 2.175 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2Cc2cccc(NC(=O)OC)c2)CC1 1300727445 XXOPXFFLIPTDBZ-FQEVSTJZSA-N 480.569 2.365 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@@](O)(c2ccccc2)C(F)(F)F)CC1 1300730943 HRZVIRYDTCXOJM-JOCHJYFZSA-N 479.503 2.231 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1Cc1cccnc1OCCOC 1300786963 IVDKVYNPGLBZRM-DNQXCXABSA-N 455.559 2.391 30 10 JEEE C=CCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1301136937 IKFBXXSELFCVGG-UHFFFAOYSA-N 453.595 2.259 30 10 JEEE COCC[C@](C)(O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1301433170 CIYDHEAWGNBQGP-NLFFAJNJSA-N 491.552 2.162 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1301483641 SCYPBCYSUHSAGE-HXUWFJFHSA-N 475.347 2.041 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1301586818 OHXCLZCZEXPCJD-WBVHZDCISA-N 498.531 2.273 30 10 JEEE C=CCSCCn1c([C@H]2CCCO2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1301624655 XJOSQTLESVHJME-WOJBJXKFSA-N 456.616 2.397 30 10 JEEE C[C@@H]1CCCN([C@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCNC(=O)CC2)C1 1305028605 HKHUTCREIZFIFS-RTBURBONSA-N 451.575 2.175 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(OCC(F)(F)F)c1 1358872673 XJQNVHONQZVDSH-KGLIPLIRSA-N 459.494 2.336 30 10 JEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(=O)NC1CCCCC1 1358949769 MTHVIWSRAVRCRY-LJQANCHMSA-N 474.606 2.495 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H]1CCC=CO1)[C@H]1CCS(=O)(=O)C1 1358960190 YYQUMMWUAXCPAE-RBUKOAKNSA-N 472.567 2.282 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](CC)c2ccccc2)CC1 1359040847 HWOOZWAJQRLKNA-MOPGFXCFSA-N 486.642 2.048 30 10 JEEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1359123797 OALMZYDFJSFTGR-OAQYLSRUSA-N 479.610 2.194 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCOC2CCCC2)CC1 1359165694 UVDHIJUULIVWDD-IBGZPJMESA-N 453.609 2.117 30 10 JEEE C=CCCOCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1359224021 DFXWVMLNIGGSMB-GBXCKJPGSA-N 477.613 2.398 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc(CNC(=O)c2cccs2)n1Cc1cccc(-n2cncn2)c1 1359476636 IDXMYCYMLATPQB-INIZCTEOSA-N 461.555 2.494 30 10 JEEE C=CCn1c(S)nc2cc(C(=O)N3Cc4cc(O)ccc4C[C@H]3C(=O)OC)ccc2c1=O 1457236259 KBVJGURLKIPQBQ-IBGZPJMESA-N 451.504 2.317 30 10 JEEE N#Cc1cc(F)c(S(=O)(=O)NCC(=O)N2CCN(c3ccc(Cl)cc3)CC2)c(F)c1 1462988667 GCYSFXGHNXEQLS-UHFFFAOYSA-N 454.886 2.117 30 10 JEEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCCN(C(=O)Cc3cccc(F)c3)CC2)c1 1465754082 RIVYAKDZVBMGKZ-UHFFFAOYSA-N 459.543 2.207 30 10 JEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CN(CC(F)(F)F)C[C@H]2c2ccccc2)c1 1468963131 WBMLQOJRQPXQDP-VQTJNVASSA-N 465.497 2.358 30 10 JEEE C#CCn1ccc(CN(CC)CC(=O)Nc2sc(C(=O)N(C)C)c(C)c2C(=O)OCC)n1 1473439996 OWGKLHIXQFNONZ-UHFFFAOYSA-N 459.572 2.225 30 10 JEEE CCC[C@@](C)(O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1499957591 GHDQJYVRRXNEEC-PXDATVDWSA-N 465.602 2.364 30 10 JEEE CCN1CCN(C[C@@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCO[C@H](C)C2)CC1 1502345892 HJFGRRREOWBDIN-NHCUHLMSSA-N 467.618 2.227 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CC1=CCCOC1)[C@@H]1CCS(=O)(=O)C1 1507628378 WJZIMCKUKMQXFJ-MRXNPFEDSA-N 480.388 2.009 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(OC)ccc2Br)n1CC1(O)CCOCC1 1507644421 HIRRISQXPDWHQP-UHFFFAOYSA-N 459.344 2.331 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccnc(OCc2ccccc2)c1 1507652814 JGNLEXFUTXEYMD-QFIPXVFZSA-N 475.574 2.275 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2ccc(F)cc2)n1CC1(NC(=O)OC(C)(C)C)COC1 1507653437 XKFAWEODXRORDS-UHFFFAOYSA-N 453.518 2.375 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H]1CCCCS1(=O)=O 1507671999 SPQQWEILJJNILK-NQIIRXRSSA-N 454.552 2.221 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCCN2CCC(O)CC2)CC1 1507722218 RIZRXNYIHFCOEV-FQEVSTJZSA-N 470.593 2.159 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@H](N2CCOCC2)C(F)(F)F)CC1 1507732166 JJQJTKQVZNWWJB-NRFANRHFSA-N 492.546 2.184 30 10 JEEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1507779386 NPHBEIVODUQRAI-ZWKOTPCHSA-N 471.444 2.127 30 10 JEEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCN(C(=O)c2ccco2)CC1 1507779750 QRNOGJKZEBEJEF-HNNXBMFYSA-N 468.352 2.466 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)NCC)CC1 1507810441 ZNSQQLJSLYXZOY-HKUYNNGSSA-N 461.611 2.029 30 10 JEEE C=C(Cl)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1507856165 FICLXTZIWRIWHD-GOSISDBHSA-N 474.949 2.481 30 10 JEEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1507965630 PCMUCACZRDGMTN-NRFANRHFSA-N 457.623 2.422 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(Cl)c1 1508021883 UQSJEWPVYJCGQN-SFHVURJKSA-N 451.980 2.491 30 10 JEEE CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1515120873 BBAVQWVUKBWXKF-SFHVURJKSA-N 483.573 2.358 30 10 JEEE CCOc1ccc(O[C@H](C)c2nnc(N3CCO[C@H](C#N)C3)n2CCCN2CCOC2=O)cc1 1516306614 DBAJXQBZWMIWCE-YLJYHZDGSA-N 470.530 2.388 30 10 JEEE CO[C@H]1COCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1518645332 GFXGXJUDVYMNJQ-MNHFLQJXSA-N 498.628 2.326 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(COCC(F)(F)F)c1 1538971691 HTKPCMKSTYILIV-GJZGRUSLSA-N 473.521 2.473 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CCCC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1539210913 FHIBHUWGMSCYGC-HXUWFJFHSA-N 457.600 2.003 30 10 JEEE C#CCN(c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1539216179 ORSYBXVYLJQNSI-FUHWJXTLSA-N 455.540 2.262 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CC(F)(F)CO1 1539392276 NZNOOAVATDGYDA-FUHWJXTLSA-N 468.501 2.383 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccccc2OC)n1C[C@@]1(N2CCOCC2)CCSC1 1539408022 XZQMKNRRVFKIJV-DEOSSOPVSA-N 471.627 2.248 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@]2(O)CCN(C)C2)CC1 1539470447 PUMLGYIEZJZCHD-HHHXNRCGSA-N 478.641 2.275 30 10 JEEE C=CCCOCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCCN(CC)C(=O)C1 1540033437 IKZIRZBNOJKRAV-UHFFFAOYSA-N 451.531 2.245 30 10 JEEE C=CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCCCS1(=O)=O)C1CC1 1540099178 SEIBKKDZRIRQIM-IBGZPJMESA-N 464.613 2.471 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@](C)(C(=O)NC)C1 1540875185 DCXOPFOEPRYHDC-NRFANRHFSA-N 463.007 2.488 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1540875656 TWHYQKQZVIOICE-UHFFFAOYSA-N 499.635 2.293 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1540899769 ZISSULXPHSCWHS-UYAOXDASSA-N 490.626 2.204 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(Oc2ccc(F)cc2F)CC1 1540902480 KRBLYTULYOIHSI-SFHVURJKSA-N 495.552 2.156 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N(C)[C@H]1CCN(Cc2ccccc2)C1 1540903013 WGSBSUXPTYTHRV-SFTDATJTSA-N 459.616 2.094 30 10 JEEE C=CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(c2cnn(C)c2)CC1 1540910553 JTKWDNPCVNTTNU-UHFFFAOYSA-N 487.655 2.328 30 10 JEEE C[C@@H](CN1CCCC1)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C 1541874550 HYLMWQGPKNDDTI-OALUTQOASA-N 451.575 2.128 30 10 JEEE Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)CC#N)n2CCS(=O)(=O)Cc2ccccc2)n1 1543006079 GAXZJOOBJUBNFH-GOSISDBHSA-N 455.588 2.493 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(C(=O)N2CCCC2)n1CCn1cc(C)cn1 1555544727 GSDQUGYDNZKMAO-UHFFFAOYSA-N 462.558 2.244 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC2(CS(C)(=O)=O)CC2)CC1 1588762400 HTIALTKXRKZVHF-UHFFFAOYSA-N 479.553 2.127 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H]1CCCCO1 1594497784 MGTFMWXOBJBEPN-QZTJIDSGSA-N 455.625 2.219 30 10 JEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccc1N1CCCC1 1595405636 VMDLMQIFQCFOSM-HXUWFJFHSA-N 460.604 2.034 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1C[C@H](C)O[C@H](COC)C1 1595536713 GBCTYKVOXTZTDK-WMZOPIPTSA-N 452.515 2.142 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCCCC2(F)F)C1 1595728483 BUBNCQXAHSIZSM-KURKYZTESA-N 489.589 2.218 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@@H](C(C)C)C1 1595778054 VDAWLYGGVCTDME-HXUWFJFHSA-N 464.588 2.424 30 10 JEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1595884671 PZVFUXYYISCKSD-DLBZAZTESA-N 469.677 2.231 30 10 JEEE CC(=O)NCC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CCC2)CC1 1596590487 BINPSRGPDAIICY-UHFFFAOYSA-N 470.599 2.137 30 10 JEEE C#CC1(O)CN(C(=O)c2sccc2NC(=O)c2ccccc2I)C1 1603215667 ADKWRRGBCRFDNS-UHFFFAOYSA-N 452.273 2.425 30 10 JEEE CCO[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1616593181 AONSGZILYJSLEA-ICSRJNTNSA-N 458.588 2.104 30 10 JEEE COCC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C(C)C)N2CCCC2)CC1 1619551777 HDTNVMPVEPNJGV-QHCPKHFHSA-N 495.628 2.144 30 10 JEEE C=CCCOCCNC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 1622819585 JVIQFACPTVIPOL-UHFFFAOYSA-N 452.577 2.022 30 10 JEEE C=CCOCCCC(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1638016004 IEIPRUAXJLCSOO-MOPGFXCFSA-N 450.580 2.363 30 10 JEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 1689875123 KNERMEOOKQCUHP-SJORKVTESA-N 468.624 2.137 30 10 JEEE C#CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1cccnc1N1CCOCC1 1689949415 BYILDJKQGKDKMD-UHFFFAOYSA-N 456.348 2.385 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2NC(=O)CC2(C)C)n1 1690109389 PRTJEYMMGYTEIF-QFIPXVFZSA-N 486.580 2.214 30 10 JEEE C#CCN1CCN(c2nnc(CSc3ccccc3OC)n2C[C@H]2CCOC[C@@H]2OC)CC1 1690135425 WNSMKTDHGNEPOE-CTNGQTDRSA-N 471.627 2.386 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2Cc2cccc(C(=O)NCC)c2)CC1 1690148898 YZZHMEIYTMBOPG-UHFFFAOYSA-N 485.592 2.028 30 10 JEEE C=C(C)COCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(S(C)(=O)=O)CC1 1690305526 BUYSBPKLCMIMEI-UHFFFAOYSA-N 469.995 2.281 30 10 JEEE C=CCCCn1c(-c2noc3c2COCC3)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1690482121 ZRUWNQWHEKMLBU-ZDUSSCGKSA-N 454.453 2.477 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1690666693 CZSPWVQXFQEYGL-GOSISDBHSA-N 453.522 2.105 30 10 JEEE CC(C)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)CCS1 1691980754 AHSYLGXLCCQAJC-LJQANCHMSA-N 460.629 2.430 30 10 JEEE COCC[C@@](C)(O)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1697922457 HFVWTIYTZADIIT-RUZDIDTESA-N 477.569 2.334 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC)n2C[C@@H](C)CN2CCN(CC)CC2)c1 1705507163 TVYAFNNJBCPPHB-FQEVSTJZSA-N 451.619 2.170 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC1(CCOC)CCCC1)[C@@H]1CCS(=O)(=O)C1 1705566680 PIQKZXJIPWITMV-WOJBJXKFSA-N 464.632 2.396 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H](C)Oc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1705571750 HDEOIGCHTSAMPM-MBOZVWFJSA-N 462.547 2.363 30 10 JEEE C#CCN(c1nnc(CSc2ccc(C)cc2)n1Cc1ccn(C)n1)[C@H]1CCS(=O)(=O)C1 1705572269 WEGSTMWEXQLEFC-IBGZPJMESA-N 470.624 2.287 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCN1CCN(C(C)=O)CC1 1705573555 JJQCKHLDCLRSQL-JOCHJYFZSA-N 462.598 2.272 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC1CCS(=O)(=O)CC1 1705589799 XDIBLSFEOATRSH-UHFFFAOYSA-N 467.595 2.435 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC(=O)NCC(F)(F)F 1705592536 ZCJKRMJQDIWCCM-UHFFFAOYSA-N 479.459 2.112 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCN(CC)CCC)CC1 1705648028 PEELXSQJFXFQDD-UHFFFAOYSA-N 490.612 2.292 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCNC(=O)OC(C)(C)C)CC1 1705648148 OQGQAGKTWGEYEN-SFHVURJKSA-N 460.579 2.010 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2ccc(-n3ccnc3)c(F)c2)CC1 1705652658 HYNKYOZNJJBZRD-UHFFFAOYSA-N 465.533 2.154 30 10 JEEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCC(N2CCCNC2=O)CC1 1705663219 ZQTOXEZDSJSAQZ-UHFFFAOYSA-N 459.645 2.384 30 10 JEEE C#CCSCCn1c(N(CC)[C@H]2CCS(=O)(=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705665237 NQXFKPOAGWKGBN-KSZLIROESA-N 497.687 2.429 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1705696756 QEOJAAPMTPYXPT-NFBKMPQASA-N 468.602 2.145 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CC(=O)N(c2ccccc2)C1 1705709846 FHQAUOGPJMQPAS-MSOLQXFVSA-N 460.604 2.344 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCC 1705860711 NONDZKMCSXVDQG-FQEVSTJZSA-N 458.588 2.475 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCCN(C(=O)Cc2cccc(F)c2)CC1 1705900829 QZPVBVADUDJXTQ-UHFFFAOYSA-N 491.571 2.371 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCN(C(=O)N(CC)CC)CC1 1705932991 QFVXTHXEYVKDTF-UHFFFAOYSA-N 490.630 2.138 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1705936405 QDCOPDQIOLIHEG-LJQANCHMSA-N 451.637 2.085 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCCC[C@@H](SC)C2)nnc1[C@@]1(OCC)CCOC1 1705938820 JYVVEFXQEGLFGC-YLJYHZDGSA-N 458.650 2.253 30 10 JEEE CC(=O)N1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1705987516 JAWRWVSIRUDALS-ZNTNEXAZSA-N 491.596 2.438 30 10 JEEE CCOCc1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1CCCN1CCOCC1 1710694157 CXQYSDOCPHJKQO-UHFFFAOYSA-N 454.575 2.456 30 10 JEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CC(C)(C)C(=O)NCC)[C@H]1CCS(=O)(=O)C1 1722358421 BMOJIPBWPWHEFP-SFHVURJKSA-N 478.018 2.388 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C 1722419071 MRWISFIIFAUXLH-KRWDZBQOSA-N 471.562 2.267 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@H](OC)[C@@H](C)CC)CC1 1722434249 ODGJYXRVCFRMFI-UGKGYDQZSA-N 488.658 2.012 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1722688352 CFADOOKRFXJXGO-RDTXWAMCSA-N 471.493 2.129 30 10 JEEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1722700984 BKKZSEABDORALK-HXUWFJFHSA-N 464.574 2.252 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1722706478 UAMSNWPRNXAXKY-RBBKRZOGSA-N 468.602 2.015 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Br)nnc1N(C)CC(=O)NC(C)C 1722726038 XKFDDMKYPLWPJM-UHFFFAOYSA-N 484.420 2.269 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCOc2ccccc2)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1722730042 GNQHPKIBBRXJFM-DEOSSOPVSA-N 490.626 2.275 30 10 JEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2ccc(F)cc2F)C1 1740580673 FUXJXDVKHCNZQP-KDOFPFPSSA-N 453.515 2.158 30 10 JEEE C#CCN(c1nnc(C)n1C[C@@H](c1cccc(OC)c1)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1740617457 RJYDAFHXDRDRAS-IRLDBZIGSA-N 457.600 2.059 30 10 JEEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1cccc(Cl)c1C)[C@@H]1CCS(=O)(=O)C1 1740624337 IAQAVFSIHYLZET-GOSISDBHSA-N 476.002 2.037 30 10 JEEE C#CCN(CC)c1nnc(CSc2ccccc2OC)n1C[C@H]1CCCN1S(C)(=O)=O 1740675354 PFGACDDCCZMLBM-QGZVFWFLSA-N 463.629 2.463 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1nncn1C 1740676894 BDTWPFSDSCQQGV-HSZRJFAPSA-N 453.522 2.274 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCO[C@@H]1C(C)C 1740682014 ZWHMFEYFNMZSAP-TZIWHRDSSA-N 450.547 2.068 30 10 JEEE C#CCN(CCOC)c1nnc(CC2CCCC2)n1CC(=O)N1CCN(c2ccccc2)CC1 1740688349 PHZYPYSQIWSJKG-UHFFFAOYSA-N 464.614 2.446 30 10 JEEE C#CCN1CCN(c2nnc(CSc3ccccc3OC)n2CCN2CCOCC2(C)C)CC1 1740700666 YYLFLHHMTGXAEW-UHFFFAOYSA-N 484.670 2.445 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2ccc(Cl)s2)CC1 1740706159 RYRYBLSVGHJQGW-INIZCTEOSA-N 496.058 2.104 30 10 JEEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(c2ncccn2)CC1 1740710663 AMHPYJGJUNJBIP-UHFFFAOYSA-N 465.583 2.445 30 10 JEEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N(C)C1CCC2(CC1)OCCO2 1740723832 UWABGAGYLUNQSH-HKUYNNGSSA-N 450.605 2.490 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(Cc2cccnc2)n1CCNS(=O)(=O)c1ccccc1 1740732785 PXNIQMFMKGJEAD-HSZRJFAPSA-N 450.568 2.235 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(Cc2cccc(Cl)c2)CC1 1740782814 RQJKVSIEFQSRBY-FQEVSTJZSA-N 495.049 2.163 30 10 JEEE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3ccccc3C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1741016561 IPBOCHJLYNDBNZ-COPMAWBXSA-N 477.569 2.085 30 10 JEEE CC[C@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@]1(N(C)C)CCSC1 1743743687 HQKUXYFHEXXCIX-GAJHUEQPSA-N 471.679 2.469 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H](C1CC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1748802876 SOWMPBIVGRUPLA-FCHUYYIVSA-N 498.653 2.114 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCCc1nnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1748808328 JRIBHWTYKGCJAU-MRXNPFEDSA-N 460.585 2.266 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CCCN1CCCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1748819924 URXGFPWKWOZLMV-RBBKRZOGSA-N 470.643 2.155 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@](C)(O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1748823758 BFMHQJLRBBEPIA-GCJKJVERSA-N 464.563 2.030 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2OC)n1CCCN1CCC(O)CC1 1748891400 VBCIFLYAKQFOLZ-UHFFFAOYSA-N 451.571 2.272 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOc1cccc(C(F)(F)F)n1 1748929078 CJZABQQIYKVLLV-CQSZACIVSA-N 457.478 2.133 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1([S@](C)=O)CCC1 1748970356 AOMBUBIHALDODP-DHYFDCLWSA-N 479.647 2.436 30 10 JEEE C#CCN1CCN(c2nnc(Cc3cn4ccccc4n3)n2CCOCC(F)(F)C(F)F)CC1 1748993728 JQJRYEYQMWRSFJ-UHFFFAOYSA-N 479.482 2.189 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)N1CCC(C)CC1 1749158341 HJUJPCWINBXVOR-WOJBJXKFSA-N 468.668 2.134 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@]1(OC)CCOC1 1749584040 DMPSUPUKSWJBFI-REWPJTCUSA-N 460.600 2.221 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)c(Cl)c1 1749599765 KSFFIEKBULVAOJ-SFHVURJKSA-N 487.985 2.091 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@H](OCC(C)C)C1 1749666656 PEZJVAHTPBRGHM-SFHVURJKSA-N 479.585 2.228 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1749671777 ITBUIUIIFDARBH-KRWDZBQOSA-N 491.987 2.201 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@H](CCOC)C1 1749734427 IXRXYRLHAYLJKZ-XLIONFOSSA-N 462.572 2.254 30 10 JEEE C[C@H]1C[C@@H](C)CN(CCCn2c(-c3ccc(C#N)cc3)nnc2N2CCN(CC(=O)N(C)C)CC2)C1 1752011985 HWRFLLXXOJNZCU-SZPZYZBQSA-N 492.672 2.395 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2COc3ccccc3O2)n1CC1(OCCOC)CCOCC1 1760116833 KMHJYAUTZTXFGF-WIYYLYMNSA-N 456.543 2.461 30 10 JEEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC(C(=O)NCC#C)CC1 1760144218 IJCXQLFPIXWIRB-UHFFFAOYSA-N 466.973 2.241 30 10 JEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1760147319 NGFRQISWDBPHEO-SFHVURJKSA-N 456.528 2.031 30 10 JEEE C#CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1cnn(CCOC)c1 1760172123 MWYROXLZZUOCJC-IBGZPJMESA-N 457.579 2.353 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@]1(C)CN(C2CC2)C1=O 1760208453 CVUDZCUUUNQHDI-RUZDIDTESA-N 478.984 2.335 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCC[C@@H]1OC 1760240248 LQQZSRWIRNAOQP-HQRMLTQVSA-N 463.579 2.482 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(OC)c(Br)c2)CC1 1760260390 ZXOVVPQQTCUMJM-KRWDZBQOSA-N 460.376 2.357 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCOCCC(C)C)CC1 1760261009 FYSJKAHVCOZFKE-NRFANRHFSA-N 490.649 2.404 30 10 JEEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](c2cccc(F)c2)C1 1760280655 GZALZMBRGCKFFN-QUCCMNQESA-N 493.630 2.110 30 10 JEEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccc(Cl)cc2C1 1760281439 MXRAELMDWWPHQZ-LJQANCHMSA-N 496.058 2.194 30 10 JEEE C#CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1760284595 PCVMYWVFMMXBDF-IBGZPJMESA-N 472.640 2.287 30 10 JEEE C#CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1760286738 TVDDOVDRFRHOLS-GAJHUEQPSA-N 474.631 2.433 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC(=O)N1CCOCC1 1760334016 NDZLRWGVTOUVEV-UHFFFAOYSA-N 479.585 2.497 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2(N(C)C)CCCCC2)CC1 1760389373 JLMGQZIIIXETDH-LJQANCHMSA-N 466.652 2.032 30 10 JEEE C=CCN(CCOC)c1nnc(-c2c[nH]c3ccccc23)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1760502834 NRMPQQSYALFVAJ-QGZVFWFLSA-N 458.588 2.347 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)N2CCCC2)CC1 1760520253 HWMBWXCDXUKNMX-UHFFFAOYSA-N 457.966 2.239 30 10 JEEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)Cc1cnccn1 1760524152 QHUGKAYJGHMNDO-UHFFFAOYSA-N 470.578 2.121 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC(S(C)(=O)=O)CC1 1760557578 PZTFOVBRBVLTNV-UHFFFAOYSA-N 496.655 2.088 30 10 JEEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(SC)CCN(C)CC2)CC1 1769896209 HVNGHCSHIKBEBK-UHFFFAOYSA-N 469.659 2.413 30 10 JEEE C=CCN(CC=C)C(=O)[C@H](CCCC)NC(=O)CNC(=O)c1cc(OC)c(OC)c(OC)c1 1862131753 LPYRNOMQOGHAOG-SFHVURJKSA-N 461.559 2.318 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)COc2cn(Cc3ccccn3)c(CN(C)C)cc2=O)nc1C 1870322887 BYNKHEPDJRRPHE-UHFFFAOYSA-N 497.577 2.478 30 10 JEEE C#CCOc1cn(CCCN2CCOCC2)c(CNc2cc(OC)c(OC)c(OC)c2)cc1=O 1871006982 FHIJSVUKSDPBGJ-UHFFFAOYSA-N 471.554 2.221 30 10 JEEE C=CCN1C(=O)C(NCc2ccc(S(N)(=O)=O)cc2)=C(c2ccc(-n3cccc3)cc2)C1=O 1873034525 IDUQYUDVDUOWFB-UHFFFAOYSA-N 462.531 2.180 30 10 JEEE CCOC(=O)c1sc(C2=C(N)N(CCCN3CCOCC3)CC2=O)nc1-c1ccccc1 1873528293 PRWDZTCBCOYVIQ-UHFFFAOYSA-N 456.568 2.221 30 10 JEEE CCOc1ccc(Cc2nnc(SCC(N)=O)n2/N=C/c2cc(OC)c(O)c(OC)c2)cc1 1874302479 AUWVGGZNIQCYFZ-WYMPLXKRSA-N 471.539 2.450 30 10 JEEE C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C2(O)CN(C(=O)OC(C)(C)C)C2)CC1 2060404572 ZPWVZVZDOXCGOG-QGZVFWFLSA-N 451.564 2.123 30 10 JEEE CC(C)(C)OC(=O)N1O[C@@H]2CCC[C@@H]2[C@@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2180983005 ACOYGUBJFJMOQM-ARFHVFGLSA-N 460.340 2.434 30 10 JEEE CC(C)(C)OC(=O)NC1CC(NS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2247880516 GNBNHWOZHMCJKZ-UHFFFAOYSA-N 458.411 2.381 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)[C@@H](CO)C1 2255707950 CZOUKQYTVHHYNM-CQSZACIVSA-N 452.382 2.101 30 10 JEEE C[C@@H](CNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1)N(C)Cc1ccccc1 2255803404 NNHCLPGQHSKYMB-INIZCTEOSA-N 465.450 2.382 30 10 JEEE CC1(C)OB(c2cncnc2C(=O)N[C@@]2(C)CCN(C(=O)OCc3ccccc3)C2)OC1(C)C 2255878767 FDRJMEXFRRJGHW-DEOSSOPVSA-N 466.347 2.307 30 10 JEEE CC(C)(C)OC(=O)N1CCC(C)(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)CC1 2256629236 RKAWZQPHMFRJKM-UHFFFAOYSA-N 452.386 2.235 30 10 JEEE Cc1sc(C(=O)N[C@]2(CO)CCN(C(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2267110473 DVJJWEWFPNAEKP-JOCHJYFZSA-N 466.409 2.457 30 10 JEEE Cc1nn(C)c(C(=O)NCC(C)(C)N(C)C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267194992 HRQUYKZKKOKQBB-UHFFFAOYSA-N 450.389 2.403 30 10 JEEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@H]3[C@@H]4CN(Cc5ccccc5)C[C@@H]43)cc2)OC1(C)C 2267411683 CFHBRBCVGKLBRN-ZBYYUNFXSA-N 454.401 2.395 30 10 JEEE Cn1nc(C(=O)N2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)cc1B1OC(C)(C)C(C)(C)O1 2267536456 JLBNXLIDJAPHOZ-IBGZPJMESA-N 482.390 2.498 30 10 JEEE C[C@@H]1C[C@@H](NS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CN1Cc1ccccc1 2267703923 DZKQNBSXYGGOSM-YLJYHZDGSA-N 457.405 2.322 30 10 JEEE C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2267715297 VTRFIHNHEQVEQZ-UTKZUKDTSA-N 457.405 2.180 30 10 JEEE CC(C)(C)OC(=O)N1CCC(O)(C(=O)NCc2ccc(B3OC(C)(C)C(C)(C)O3)s2)CC1 2268716747 HCGNALUYHLOMNR-UHFFFAOYSA-N 466.409 2.426 30 10 JEEE CC(C)(C)OC(=O)N[C@]1(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C[C@H]2CCC[C@@H]21 2272679893 MIZPUDLISFCBJL-RRMDADRESA-N 464.397 2.281 30 10 JEEE C[C@H](NC(=O)c1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1)C1(O)CN(C(=O)OC(C)(C)C)C1 2281792726 LORNCIFZUFTPFK-AWEZNQCLSA-N 464.343 2.225 30 10 JEEE Cc1nn(C)c(C(=O)N[C@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2281990197 JXYHJODFXJXJAR-HOTGVXAUSA-N 462.400 2.451 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)sn3)C2)C1 2281999095 VTVCAZXTXWBURB-JOCHJYFZSA-N 479.408 2.294 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1[C@H]2CC[C@@H]1CN(C(=O)OC(C)(C)C)C2 2282004748 ITIAUYDOTGIZER-IYBDPMFKSA-N 460.384 2.252 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)C[C@]12CCOC2 2282014506 QRANMLRSKQGJHH-PEBXRYMYSA-N 479.408 2.341 30 10 JEEE Cn1cc(C(=O)N2C[C@@H]3CN(Cc4ccccc4)CC[C@H]3C2)nc1B1OC(C)(C)C(C)(C)O1 2282044922 SMKHGFZVAMRWIB-PMACEKPBSA-N 450.392 2.313 30 10 JEEE C[C@H]1C[C@H](NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CCN(C(=O)OC(C)(C)C)C1 2282044959 SUSDNVGXLVDEPH-JKSUJKDBSA-N 462.400 2.485 30 10 JEEE Cn1cc(C(=O)N2CC[C@H]3[C@H](CCN3C(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2282051573 IQLSZUTZIYSBSU-WBVHZDCISA-N 460.384 2.191 30 10 JEEE CN(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)C1CCC(NC(=O)OC(C)(C)C)CC1 2282180410 SJCHWFIUSWGYJD-UHFFFAOYSA-N 463.388 2.022 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)CC[C@@H]1CO 2282180611 VPOCJVJNIMXRQC-IEBWSBKVSA-N 460.380 2.334 30 10 JEEE Cc1cc(S(=O)(=O)NC[C@@H]2CNCCN2Cc2ccccc2)sc1B1OC(C)(C)C(C)(C)O1 2282304519 LGURTKSJJWGEQQ-IBGZPJMESA-N 491.488 2.108 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1CNS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282347046 RZWXWZFCAJMLOB-MAUKXSAKSA-N 481.424 2.353 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](O)CN(C(=O)c2c(F)cccc2B2OC(C)(C)C(C)(C)O2)C1 2282467188 IPXCJYXEPKBDEC-CABCVRRESA-N 464.343 2.225 30 10 JEEE CC(C)(C)OC(=O)NCC1(CO)CCN(C(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)CC1 2282518372 XCXRVRYZIJOVSH-UHFFFAOYSA-N 481.424 2.182 30 10 JEEE Cn1ncc(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 2282535159 KLLPAEGXYLIRFF-BFYDXBDKSA-N 460.384 2.095 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H](CNC(=O)OC(C)(C)C)C(F)(F)F 2282536610 FNOSEEARUAJEGY-GFCCVEGCSA-N 476.305 2.152 30 10 JEEE Cn1ncc(C(=O)NCc2ccc(NC(=O)C(F)(F)F)cc2)c1B1OC(C)(C)C(C)(C)O1 2282570112 ZWTLBMPELIPECH-UHFFFAOYSA-N 452.242 2.150 30 10 JEEE Cn1cc(C(=O)NC[C@@]2(C)CCCN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2282589368 MXRVYFWURNRGNS-HSZRJFAPSA-N 462.400 2.486 30 10 JEEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCCC[C@@H]1CCNC(=O)OC(C)(C)C 2282684597 SWUNXTQHYLQBRN-OAHLLOKOSA-N 463.388 2.024 30 10 JEEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)Nc1ccccc1CNC(=O)OC(C)(C)C 2282700335 PKMSRACAKZGZKC-UHFFFAOYSA-N 457.340 2.391 30 10 JEEE C[C@@H](CCCN(C)C(=O)OC(C)(C)C)N(C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282700684 RYVWKUQXDLJWHY-HNNXBMFYSA-N 465.404 2.222 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1NC(=O)[C@@H]1COC[C@@H]1NC(=O)OC(C)(C)C 2283964717 PYFJJVYMERFSHV-WBVHZDCISA-N 462.352 2.473 30 10 JEEE CC(C)(C)OC(=O)NCC1(O)CC(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2283966089 ZSGZPTXBVAMDMB-UHFFFAOYSA-N 465.331 2.124 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)ccc1F 2283983798 OXDKVMXWDQZCKI-GOSISDBHSA-N 464.343 2.377 30 10 JEEE C[C@H](OCc1ccccc1)[C@@H](NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1O)C(=O)O 2284429219 BTZASEAZRNVKBZ-MGPUTAFESA-N 455.316 2.480 30 10 JEEE CN(Cc1ccccc1)C[C@@H](NC(=O)c1c(F)cccc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284494489 NZJUHFWTSJRHTE-LJQANCHMSA-N 456.323 2.440 30 10 JEEE CN(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)[C@H]1CN(C(=O)OC(C)(C)C)CC1(C)C 2289938761 KZEJWHLHTNUDEI-INIZCTEOSA-N 462.400 2.437 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NCCCOC2CN(C(=O)OC(C)(C)C)C2)C1 2315491080 JYKVWNNVJYBDHP-UHFFFAOYSA-N 451.564 2.435 30 10 JEEE COc1nc(O[C@H]2COC[C@H]2CNC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2339837959 GIKIOTBITOARCW-ZBFHGGJFSA-N 450.341 2.308 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H](C)C2)n1C 2362340547 OCNVTGOYIWUDTK-HNNXBMFYSA-N 462.400 2.357 30 10 JEEE Cc1nn(C)c(C)c1/C(O)=C1/C(=O)C(=O)N(CCCN2CCOCC2)[C@H]1c1ccccc1F 102744400 DGFHVRHQTPNOCV-AGGMBTAESA-N 456.518 2.320 30 10 JEEE COC(=O)c1c(C)oc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(OC)c(OC)c2)c1C#N 170493483 ZWCCYQXIDXDAAV-OAHLLOKOSA-N 477.495 2.055 30 10 JEEE CCOc1cc(C=NNc2nc(N3CCCCC3)nc(N3CCOCC3)n2)ccc1OCC(=O)O 254732967 NQZAVUYUGUNDIK-UHFFFAOYSA-N 485.545 2.007 30 10 JEEE CC(=NNc1nc2c(c(=O)nc(O)n2C)n1C[C@H](O)COc1ccccc1)c1ccc([N+](=O)[O-])cc1 254760401 XWYYZDGDGYEFKV-KRWDZBQOSA-N 493.480 2.020 30 10 JEEE COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc([C@H]3C[C@@H]3C)o2)c(=O)n1Cc1ccccc1 610487559 POTKOWHILLNEEP-PXNSSMCTSA-N 477.586 2.330 30 10 JEEE C[C@H](OC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ccc(N2CCCC2)cc1 853705099 FGGADFVVQCWLNF-INIZCTEOSA-N 456.524 2.007 30 10 JEEE CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NC(C)(C)c3cccc(C#N)c3)cc2)CC1 1131076993 ZXFMWTXHAUCFOB-UHFFFAOYSA-N 454.552 2.076 30 10 JEEE C#CCCCCn1c(-c2cc(Br)cn2C)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1286314627 FQDQFEHECRWBKL-QGZVFWFLSA-N 478.416 2.476 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccc(NC(=O)CCC)cc1)[C@H]1CCS(=O)(=O)C1 1286394621 OYOFUIUPUSTEOS-CTNGQTDRSA-N 485.610 2.196 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(OC)ccc2Br)n1C[C@]1(O)CCO[C@H]1C 1286459573 DLMFAZLVLWYIMY-YCRPNKLZSA-N 479.375 2.342 30 10 JEEE C#CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@](C)(C(=O)NC)C1 1286504631 OVDGZMODWYRXRO-DEOSSOPVSA-N 479.610 2.004 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(Cn2nc(C)cc2C)n1CCNS(=O)(=O)c1ccccc1 1286528390 YMYOLYMPJGJVIM-HSZRJFAPSA-N 467.599 2.110 30 10 JEEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CCO)Cc1ccccc1 1286541369 ICHXCSDXPBIOEP-INIZCTEOSA-N 455.378 2.088 30 10 JEEE C=CCCOCCn1c(N2CC(C)(C)O[C@@]3(CCOC3)C2)nnc1[C@@]1(OCC)CCOC1 1286714770 WDMVROOIZJSCDB-XZOQPEGZSA-N 450.580 2.297 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1286783526 UIELLDJBONNOLB-KRWDZBQOSA-N 473.940 2.450 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1286790871 YZADJXJXBOQWNH-AOMKIAJQSA-N 458.588 2.336 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H](C)N2CCOCC2)C1 1286798940 PRDCFHIVQVXMOY-WIYYLYMNSA-N 489.020 2.364 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@@](C)(C(=O)NC)C1 1286816955 JIQMWLWKNUELJH-KSFYIVLOSA-N 479.578 2.120 30 10 JEEE CC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1)OC 1292194312 BHGVWSOFJXRRED-QFIPXVFZSA-N 465.602 2.376 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2C[C@@H]2CCCS(=O)(=O)C2)c1 1300334129 HYJQJXJRIYJJBI-NRFANRHFSA-N 492.605 2.145 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1CC(=O)Nc1c(C)cccc1C)[C@@H]1CCS(=O)(=O)C1 1300479113 IPSBWZRWPIRSCZ-GOSISDBHSA-N 457.600 2.458 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCCN(C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1300496675 TUGXBMLPCARQKA-RBBKRZOGSA-N 471.627 2.325 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCOCC)CC1 1300717082 XXFJBRXJDDYBFB-UHFFFAOYSA-N 463.380 2.428 30 10 JEEE C=C(Br)Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H](C(N)=O)C1 1300829462 DGKGCZBMBJRAPO-SNVBAGLBSA-N 458.158 2.266 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N1CCN(CCOC)C(=O)C1 1300898078 WBKLMNQXDZNVNH-WZONZLPQSA-N 473.549 2.272 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(CC(=O)NC)CC1 1300935116 JPQYFIIFPIROBP-UHFFFAOYSA-N 460.604 2.124 30 10 JEEE C=CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1)c1ccccc1 1301165133 ZRQPACPWBWJVIU-AYWYSENESA-N 486.642 2.305 30 10 JEEE C=CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1301196731 IMIQXAKVCLPIOB-GOSISDBHSA-N 497.991 2.360 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(CN2CCOCC2)CCCCC1 1301293576 CWMUYFKXEXDZCX-LJQANCHMSA-N 451.637 2.085 30 10 JEEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCCN(C(=O)c2cccc(Cl)c2)CC1 1301593598 QMXCKGJQZHRWHI-UHFFFAOYSA-N 496.033 2.421 30 10 JEEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1301606946 ZFNYSGFBCYVPAY-UHFFFAOYSA-N 453.572 2.266 30 10 JEEE CC(=O)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2nnc(C)s2)CC1 1301703679 HVXAHYBRAJCRDB-UHFFFAOYSA-N 466.571 2.190 30 10 JEEE C#CCCCCn1c(COc2ccccc2OC)nnc1N1CCCN(S(C)(=O)=O)CC1 1358917343 ODPQSAHHZADXFB-UHFFFAOYSA-N 461.588 2.141 30 10 JEEE C#CCCCn1c(Cc2ccncc2)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1358931884 RKNJSVGYLWGUNY-UHFFFAOYSA-N 464.595 2.497 30 10 JEEE C#CCN(C)c1nnc(COc2ccccc2F)n1CCCN1C(=O)NC2(CCCC2)C1=O 1358953663 DXJGPWNCYOCBLR-UHFFFAOYSA-N 454.506 2.320 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCOc1ncccc1Cl)[C@H]1CCS(=O)(=O)C1 1358961571 BKOWKROPASDEGD-FUHWJXTLSA-N 479.990 2.274 30 10 JEEE C#CCN(c1nnc(Cn2ccc3ccccc32)n1CCCCOC)[C@@H]1CCS(=O)(=O)C1 1358966311 MGTXSFSYJXJPBP-HXUWFJFHSA-N 455.584 2.334 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CC(=C)Br)[C@H]1CCS(=O)(=O)C1 1358966576 ROYBTCQPWMYMLH-KRWDZBQOSA-N 490.383 2.264 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1358967020 BMTOJGVQGFIVNP-IUKKYPGJSA-N 495.646 2.138 30 10 JEEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1CC1(N2CCSCC2)CCCCC1 1358981624 QWQNRVKKIXFRQE-UHFFFAOYSA-N 454.644 2.225 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCN(C)Cc2ccccc2)CC1 1359030788 FVMCQLTYCSRTMH-AREMUKBSSA-N 466.630 2.206 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H](OCC)c2ccccc2)CC1 1359031305 XDWKNQDRTLGKNV-WIOPSUGQSA-N 453.587 2.463 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@H](COC)OC 1359072993 YGSNEMNKNADUAB-ZEQKJWHPSA-N 466.630 2.296 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C(=O)COC)CC1 1359096235 YKHYWNWEUMBIEH-WMZHIEFXSA-N 485.585 2.239 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCC(S(=O)(=O)CC)CC1 1359334163 VSUSQSXAQFQQNL-UHFFFAOYSA-N 480.656 2.182 30 10 JEEE C=C(Cl)C[C@H](NS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O)C(=O)OCC 1475578679 LHYLJQJKIHCJOR-INIZCTEOSA-N 456.948 2.303 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](OC)C(C)(C)C)c1 1507545699 ADGVMNHLYXWOQM-QFBILLFUSA-N 490.630 2.006 30 10 JEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)CCC2CCCC2)CC1 1507588324 JKVRTUDCEVFWGU-FQEVSTJZSA-N 461.632 2.213 30 10 JEEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1CC(=O)NCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1507624821 DYEPBSKUVBZPDZ-QZTJIDSGSA-N 497.543 2.125 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1NC(=O)CC1(C)C 1507650382 IXDDWTXUKYFBGC-OALUTQOASA-N 468.602 2.380 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1C[C@]1(O)CCSC1 1507704179 RYLXPKHUVOSERE-GOSISDBHSA-N 454.394 2.000 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2(CCOCC)CCC2)CC1 1507716114 MONPGYXVNISVLV-UHFFFAOYSA-N 451.575 2.278 30 10 JEEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1507749672 YJSVHKPIEFXDBC-XLIONFOSSA-N 477.656 2.423 30 10 JEEE C#CCSCCn1c(-c2cccnc2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1507750380 SMGVHNXPEGUTBR-UHFFFAOYSA-N 450.528 2.336 30 10 JEEE C=C(Br)Cn1c(CCOc2ccccc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1507790082 WDQMXGCSGSKAFT-QGZVFWFLSA-N 489.374 2.281 30 10 JEEE C=C(Br)Cn1c(N2CCC[C@H](S(C)(=O)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1507793122 NWKKDTISMRFWIP-YJBOKZPZSA-N 477.425 2.241 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(N2CCCCC2=O)CC1 1508086762 OJUFPZAJQODHKI-UHFFFAOYSA-N 454.550 2.292 30 10 JEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H](N(C)Cc2ccccc2)C1 1508090269 FWLMGFDEUMQZNZ-QFIPXVFZSA-N 462.602 2.153 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCCN(CCC)C(=O)C1 1508107238 YZFPQLPNNWWPAV-UHFFFAOYSA-N 454.575 2.478 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](C(C)C)C1 1508137196 ZFJJEAKOVQNSFM-GOSISDBHSA-N 466.629 2.432 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCCO3)n2C[C@H]2CCS(=O)(=O)C2)c1 1539043194 OAWIRSMWNVZMAL-UYAOXDASSA-N 471.583 2.011 30 10 JEEE C#CCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1539094339 OHQAGZNFXNMMIK-LJQANCHMSA-N 482.560 2.242 30 10 JEEE C#CCN(C)c1nnc(COc2ccc(F)cc2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1539195073 LGRZRWGXJNYXNH-XLIONFOSSA-N 461.563 2.270 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1Cc1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 1539204037 YAZGUQKEDPTYNH-QUCCMNQESA-N 498.609 2.225 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H]1CCCCN1CCC)[C@H]1CCS(=O)(=O)C1 1539210226 CDWAJUONDXDHKC-PMACEKPBSA-N 456.616 2.231 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@](C)(O)c1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 1539215625 HEJSOXLMXYNMRD-ZHRRBRCNSA-N 473.986 2.461 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@H]1CCN(CC(F)(F)F)C1)[C@@H]1CCS(=O)(=O)C1 1539216337 QNKFYNRXCSGWKH-ZWKOTPCHSA-N 496.559 2.159 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1CCc1noc(CC)n1)[C@H]1CCS(=O)(=O)C1 1539231247 UGDNQRYAUISVIK-IBGZPJMESA-N 498.609 2.289 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(Br)cc2)n1CC1(C(N)=O)CCOCC1 1539304962 KHDXOUGKFOWFEC-UHFFFAOYSA-N 470.371 2.453 30 10 JEEE C#CCSCCn1c(CC2CC2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 1539524697 NESBMIBESRKBJQ-FPOVZHCZSA-N 458.676 2.414 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CCCO)CC1 1539632347 QWZAHDSHNSOCKV-UFYCRDLUSA-N 452.621 2.150 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ccccc2F)C[C@@H]1C 1540862002 ODTKHMGOLFBTQE-KRWDZBQOSA-N 478.532 2.082 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(C(C)=O)C[C@H]1C 1540862849 KNWCQKFSVYHPIH-HZPDHXFCSA-N 460.966 2.431 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 1540867702 DWHXJKWHYXKLGI-GOSISDBHSA-N 451.575 2.117 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 1540868562 JIBKXGSMCFYMTD-KNQAVFIVSA-N 462.602 2.470 30 10 JEEE C=CCOc1ccc(Cn2c(-c3cccnc3)nnc2N2CCCN(S(C)(=O)=O)CC2)cc1 1540878148 PJCCTBHIKQYITJ-UHFFFAOYSA-N 468.583 2.425 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1540904725 PMMDFARODBEJJO-OAQYLSRUSA-N 466.629 2.306 30 10 JEEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 1540916006 QZPHDCCJYNLJDI-INIZCTEOSA-N 457.560 2.383 30 10 JEEE CC(=O)NC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccsc2)CCO1 1541082127 AKRMPZNHKOOAOL-HXUWFJFHSA-N 452.540 2.180 30 10 JEEE C[C@@H]1OCC[C@]12CN(c1nnc(COc3ccc(C#N)cc3)n1CCCC(=O)N(C)C)C[C@@H](C)O2 1545057688 AEVYENPDIBDIRC-WYEJZRMESA-N 482.585 2.370 30 10 JEEE Cc1cc(C(=O)N2CCN(c3ccc(C#N)c(C(F)(F)F)c3)C[C@H]2C(=O)NC2CC2)nn1C 1548369497 KQACWTOQEFFCNA-IBGZPJMESA-N 460.460 2.229 30 10 JEEE COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCOc2ccccc21 1555557872 FLFUDSOWTPBZIE-QZTJIDSGSA-N 459.572 2.113 30 10 JEEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1587804332 YWDSCAZLWXYYEU-LJQANCHMSA-N 469.977 2.315 30 10 JEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1nnc(C(C)(C)C)s1 1587931990 HZWBZTMWZIQTQE-UHFFFAOYSA-N 473.628 2.462 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCOc1cc(C)cc(C)c1)[C@H]1CCS(=O)(=O)C1 1588053791 ICQCLAGOATYVPJ-SFTDATJTSA-N 472.611 2.495 30 10 JEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@H](C)N1CCN(c2ccccc2)CC1 1588245817 RRAVLGDQTBUAOC-QHCPKHFHSA-N 473.625 2.074 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@@](C)(O)C2CC2)CC1 1588954155 BCLHBFMIXBMRAA-AREMUKBSSA-N 465.598 2.199 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OC)n2CCN2CC=CCC2)CC1 1588969230 YMDBDDWYDUSPEK-UHFFFAOYSA-N 478.597 2.093 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)c1ccc([S@](C)=O)cc1 1589068637 CGNGVPSVDJIZMR-UGIZYKNOSA-N 480.681 2.481 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2nccc(OC)n2)CC1 1589404533 KKPOKNFMFXDXLR-OAHLLOKOSA-N 464.368 2.206 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1589545099 LJXXPIXOJHOBBH-HCXYKTFWSA-N 495.646 2.265 30 10 JEEE C=CCN(CCOC)c1nnc(-c2cc3ccccc3o2)n1CCN1CCN(C(C)=O)CC1 1595275345 BKPIXWDVOVUJGQ-UHFFFAOYSA-N 452.559 2.494 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCNC(=O)C(C)(C)C)C1 1595713443 ABFRYBROQQNPRX-QGZVFWFLSA-N 479.585 2.136 30 10 JEEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C[C@H]2CCOC2)C1 1595883983 DYODQRPVKSNBNJ-ZCNNSNEGSA-N 499.703 2.173 30 10 JEEE C[C@H](C#N)CN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CC1CCS(=O)(=O)CC1 1596812995 CTRVSCPHBBPTHM-CQSZACIVSA-N 455.544 2.015 30 10 JEEE CC(C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCCN(C(=O)C(C)C)CC1 1609766776 FPNIPOZGSOKDIL-UHFFFAOYSA-N 451.575 2.426 30 10 JEEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)C[C@@H](C)S1 1612977100 ASOIWBVEVLHBQJ-IAGOWNOFSA-N 476.628 2.094 30 10 JEEE CCc1nn(C)c(OC)c1Cn1c(-c2cccc(C#N)c2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1613899655 BTTGFQGZHQKUSV-SFHVURJKSA-N 483.598 2.183 30 10 JEEE CN(C)c1ccc(-c2nnnn2[C@@H]2CO[C@H]3[C@H]2OC[C@H]3OC(=O)Nc2cccc(C#N)c2)cc1 1616124847 BXXYBBSAGKQKCD-MXEMCNAFSA-N 461.482 2.234 30 10 JEEE C#CCC1(O)CCN(C(=O)c2ccccc2NS(=O)(=O)c2ccc3nc(O)[nH]c3c2)CC1 1636660445 BYWFMZDBHVARSX-UHFFFAOYSA-N 454.508 2.060 30 10 JEEE C=CCn1c(SCC(=O)N[C@@H](CO)[C@@H](O)c2ccccn2)nnc1-c1ccc(Cl)cc1 1642585840 OGKFFEJGGPOZGG-HKUYNNGSSA-N 459.959 2.482 30 10 JEEE CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)NC2(c3cccc(C#N)c3)CC2)cc1 1648777295 FQVRDXUVDICXMT-UHFFFAOYSA-N 454.552 2.124 30 10 JEEE CC(=O)Nc1ccc(S(=O)(=O)CCCN2CCN(c3oc(C4CC4)nc3C#N)CC2)cc1 1653622702 FFMAJYPCWYNOCH-UHFFFAOYSA-N 457.556 2.368 30 10 JEEE CN(C)S(=O)(=O)c1ccccc1CNC(=O)NCc1cn(C)nc1-c1ccc(C#N)cc1 1666391125 HQSRHKJWGMUUKR-UHFFFAOYSA-N 452.540 2.208 30 10 JEEE C=C1CCC(CNC(=O)N2CCN(S(=O)(=O)c3c(C)oc(C)c3C(=O)OC)CC2)CC1 1675867129 ZUJSKEAFKATJKD-UHFFFAOYSA-N 453.561 2.445 30 10 JEEE C=CCN1CCC(NC(=O)N2CCN(S(=O)(=O)c3cccc4cc(C)cnc34)CC2)CC1 1684043404 WTAUSAYYAKRCGQ-UHFFFAOYSA-N 457.600 2.210 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CCC2(COC)CCC2)c1 1689870545 RKEJTNGGSNAQPZ-FQEVSTJZSA-N 464.570 2.492 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@H]1[C@H](C)CCN1C(=O)OC(C)(C)C 1690092642 PKQPCTPONQFENZ-MOPGFXCFSA-N 474.606 2.246 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1C(F)(F)F 1690103187 ARNPVIJFOPLDFF-INIZCTEOSA-N 456.490 2.333 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2CCCN2C[C@H](C)O[C@@H](C)C2)CC1 1690128637 HLEVMNPRTPDLAC-VXKWHMMOSA-N 466.630 2.132 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](C)CN(C)C(=O)OC(C)(C)C)CC1 1690142317 LMXQWWWBTCYDAD-GOSISDBHSA-N 498.632 2.147 30 10 JEEE C#CCSCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN(C(C)=O)CC1 1690172678 LMHVBLDAKNVALU-UHFFFAOYSA-N 476.647 2.428 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)C[C@@H](C)C(=O)NC 1690245743 MLAMCLUXZGJWND-HMFYCAOWSA-N 493.612 2.474 30 10 JEEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CNC(=O)c2ccccc2)C1 1690287968 BVWFVFLAGOCSPQ-UYAOXDASSA-N 457.600 2.403 30 10 JEEE C=C(Cl)Cn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1690343987 IUXUOROOOKSTCX-SFHVURJKSA-N 451.015 2.496 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1690346623 YDGVNXFWGNMITI-QYZOEREBSA-N 476.990 2.107 30 10 JEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(=O)c2ccsc2)CC1 1690508596 LQTMXRMLJVZICR-LJQANCHMSA-N 493.655 2.187 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2Cc2nnc(C)s2)C1 1690688705 ZLOMCOAEUCEVIZ-KRWDZBQOSA-N 489.627 2.185 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc4ccccc4n3)n2CCNS(=O)(=O)CC)C1 1690692131 RTWTZHAOOSGBAT-GOSISDBHSA-N 456.572 2.214 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)Cc1cccs1 1690722933 BHHYOZUZTBNIPB-UHFFFAOYSA-N 484.607 2.491 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1sc(C)nc1C)[C@H]1CCS(=O)(=O)C1 1705570274 NPZSRJOOBUXBGD-SFHVURJKSA-N 456.597 2.012 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1cccc(NC(=O)OC)c1)[C@H]1CCS(=O)(=O)C1 1705571235 XCGGGJQHCOOENS-NRFANRHFSA-N 494.577 2.117 30 10 JEEE C#CCN(c1nnc(COCC)n1CCc1c[nH]c2cc(C)ccc12)[C@@H]1CCS(=O)(=O)C1 1705571657 FAUANZUBVLKINX-LJQANCHMSA-N 455.584 2.474 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCCC(=O)N(C)C 1705589251 NFOCSPOSYLEUAZ-UHFFFAOYSA-N 454.962 2.193 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccccc2F)n1CCCN1CCC[C@H]1C(=O)N(C)C 1705594851 UDVQOCTZFUVORJ-QFIPXVFZSA-N 450.562 2.490 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1csc(C(C)(C)C)n1 1705612258 CXRZXNZAWYZLBB-KRWDZBQOSA-N 480.660 2.067 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H](C)Oc2cccc(C)c2)CC1 1705635093 QUOXUJZWVKJYBI-SQJMNOBHSA-N 453.587 2.461 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2CCN(C)CC(F)(F)F)CC1 1705642743 GHCYIUFGSBFKIU-UHFFFAOYSA-N 454.472 2.246 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCNC(=O)C2CCC2)CC1 1705645965 LNHTYAMGQBYIKW-UHFFFAOYSA-N 484.004 2.266 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2Cc2cnnn2C)CC1 1705647074 ZLYYZSVIBSQOLY-UHFFFAOYSA-N 460.586 2.385 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCCOC(F)F)CC1 1705647587 IPPZBSFPRLHIRS-UHFFFAOYSA-N 485.495 2.189 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccccc2Cl)CC1 1705725891 WUASMVOXHNSTJK-LJQANCHMSA-N 481.022 2.167 30 10 JEEE C=CCCOCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1705826770 JEZKRGNAMNIZGD-FQEVSTJZSA-N 470.530 2.274 30 10 JEEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CN(CC(C)C)CCO1 1705837222 UYPVGPGWAOTJGX-FQEVSTJZSA-N 476.647 2.174 30 10 JEEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCN(Cc2cc(C)no2)CC1 1705906901 SFUPAMHQRWRIPB-UHFFFAOYSA-N 465.558 2.086 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCCS(=O)(=O)c2ccccc2)C1 1705923046 YFLNLUXFBNTBGJ-LJQANCHMSA-N 456.572 2.324 30 10 JEEE C[C@H](CN1CCOCC1)Cn1c(-c2cccc(Br)c2)nnc1N1CCO[C@@H](C#N)C1 1706821186 HPLICKHXQSTRCQ-APWZRJJASA-N 475.391 2.405 30 10 JEEE CCCNC(=O)CCn1c(-c2ccccc2C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1709830267 DHHYOUJNOJJEQU-UHFFFAOYSA-N 475.601 2.410 30 10 JEEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CCN2[C@@H](C)CC[C@H]2C)CC1 1710873105 GULPSVQXUSMGLJ-OYRHEFFESA-N 499.685 2.246 30 10 JEEE COC1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2CC2CCN(CCN(C)C)CC2)C1 1711613621 CHVUACVPVMFYKF-UHFFFAOYSA-N 467.618 2.227 30 10 JEEE COC[C@H]1CCCCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N2CCOCC2)C1 1712234782 FPSYUJYNNSJONF-FQEVSTJZSA-N 452.559 2.319 30 10 JEEE COCC[C@@](C)(O)Cn1c(CCc2ccccc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1712325875 AVPQTEHLDOXERY-FQRUVTKNSA-N 490.612 2.228 30 10 JEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](CN2CCC(C)CC2)C1 1722323765 HRSBZNQZSOHSDX-WOJBJXKFSA-N 450.653 2.250 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1CCN(C)CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1722364015 DKURPPDTGAXMRE-KRWDZBQOSA-N 487.523 2.129 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1ccccc1OCC=C)[C@H]1CCS(=O)(=O)C1 1722370985 GRGQWLCZVFBTAV-QFIPXVFZSA-N 494.621 2.380 30 10 JEEE C#CCN(CC)c1nnc(-c2cc(Br)cn2C)n1CCNS(=O)(=O)c1ccccc1 1722405545 MOCWWZCOQYFUBJ-UHFFFAOYSA-N 491.415 2.484 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCS1 1722423194 XUCPOOIPENMLMC-VQTJNVASSA-N 493.630 2.286 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CC2CCN(CCC(C)C)CC2)CC1 1722440826 LEVCFQYFEJGGFZ-UHFFFAOYSA-N 497.688 2.238 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1cnn(CC)c1 1722449911 VAAOUHNTWUQXOD-UHFFFAOYSA-N 460.542 2.026 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(=O)NC)c1 1722676861 MWZFIRIFPRHXJZ-FQEVSTJZSA-N 483.594 2.416 30 10 JEEE CC(=O)N1CCC[C@@H](Cn2c(N3CCN(c4ncccc4C#N)CC3)nnc2C(C)(C)C)C1 1722767689 JIXLQZBQAVPNDM-LJQANCHMSA-N 450.591 2.427 30 10 JEEE CC(C)(C)[S@](=O)CCn1c(-c2cnccn2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1723022783 CWTCVQRWJQNUHZ-UUWRZZSWSA-N 478.626 2.476 30 10 JEEE CN(CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2C#N)CC1)C(=O)OC(C)(C)C 1729532707 GIDIIBOUXXAXTC-IBGZPJMESA-N 494.600 2.294 30 10 JEEE CO[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc(F)c2C#N)CC1)C(C)C 1729885253 DNGWHXUXZITXKD-UWJYYQICSA-N 490.605 2.189 30 10 JEEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2CCN(C(C)=O)CC2)C[C@@H](C)O1 1730585732 DVBKFMNBUKMECS-VGSWGCGISA-N 452.559 2.315 30 10 JEEE C#CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1740569709 IOZYNSICKQXDRB-IBGZPJMESA-N 463.546 2.439 30 10 JEEE C#CCN(c1nnc(-c2cc(C)nc3ccccc23)n1C[C@](C)(O)CCOC)[C@H]1CCS(=O)(=O)C1 1740621015 ZIBDLFUDTUZOGU-UQBPGWFLSA-N 497.621 2.216 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H](OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1740621088 TUENDVMNRSPEHK-LAUBAEHRSA-N 474.583 2.014 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H](c1ccccc1)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1740622862 JZXBRZDMIWYFQE-GGAORHGYSA-N 493.637 2.445 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@H]1CCN(CCC)C1)[C@H]1CCS(=O)(=O)C1 1740626824 WJANTELZAMBXPO-UNMCSNQZSA-N 473.618 2.367 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1cccnc1)[C@H]1CCS(=O)(=O)C1 1740628966 XMADVMDVPYVNTN-PWRODBHTSA-N 471.627 2.461 30 10 JEEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1CCCn1cc(Br)cn1 1740663429 IYIDMQLIBLLJCI-LJQANCHMSA-N 451.369 2.439 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccnc(-n2cccn2)c1 1740681017 VXRHCWJYFNVTNU-UHFFFAOYSA-N 491.577 2.064 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CC1(COC)CCOCC1 1740684283 MDXCSMKUUZPHGG-UHFFFAOYSA-N 466.542 2.123 30 10 JEEE C#CCN1CCN(c2nnc(Cc3cn4ccccc4n3)n2C[C@@H](C)NC(=O)OC(C)(C)C)CC1 1740698060 NRKSLEUMNSKIIX-LJQANCHMSA-N 478.601 2.185 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCCC(=O)N(CC)CC)CC1 1740704649 VRJFNPWDHFUGMB-UHFFFAOYSA-N 494.596 2.288 30 10 JEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 1740719147 ABACOMINQJDHLN-IBGZPJMESA-N 485.589 2.306 30 10 JEEE C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2sccc2C1 1740744908 HSBDXPSPTOJIJI-CQSZACIVSA-N 488.433 2.144 30 10 JEEE C=C(Br)Cn1c(N2CC[C@H](N3CCN(CC)CC3)C2)nnc1[C@@]1(OCC)CCOC1 1740748103 AAKQLSKEYWBRJH-GHTZIAJQSA-N 483.455 2.055 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@]1(O)CCSC1 1740769538 NZNZPZBWHHTABX-NRFANRHFSA-N 465.645 2.466 30 10 JEEE C=CCCOCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(S(C)(=O)=O)CC1 1740889167 WNMYVWUFVAQIBZ-SFHVURJKSA-N 498.650 2.024 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ncc(CC)s1)C1CC1 1740909882 CAPKIWSSVODOED-KRWDZBQOSA-N 466.633 2.027 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1C[C@@H]2OCO[C@@H]2C1 1740987701 XQFXJOVFLJBPPP-YSIASYRMSA-N 462.572 2.197 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCO[C@@H](c2cccc(OC)c2)C1 1740992911 PKFKRWWIMRLWDM-JOCHJYFZSA-N 483.594 2.451 30 10 JEEE CN(Cc1ccc(C#N)cc1)c1nnc(-c2ccccn2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1747704356 GIKWZRPAGANVGY-IBGZPJMESA-N 451.556 2.130 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCCc1nnc(C)s1)[C@H]1CCS(=O)(=O)C1 1748810420 VYCBFVUVNWWLKV-INIZCTEOSA-N 492.030 2.413 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H](c1cccs1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1748819953 VKNSPYLUKBDUST-UXHICEINSA-N 484.651 2.255 30 10 JEEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1([S@@](C)=O)CCC1 1748912964 MUFKJVKDGGQCOH-WJOKGBTCSA-N 462.645 2.307 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C3(c4ccccc4)CCC3)n2CC(=O)NC(C)C)CC1 1749003223 BSABZDMKFDDFNC-UHFFFAOYSA-N 462.598 2.239 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Oc1ccc(F)cc1 1749066032 GIPDKHFCRRWOLB-DHJUGAMNSA-N 491.589 2.210 30 10 JEEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1749471115 JWXZASZOIFAOPG-QUCCMNQESA-N 493.655 2.175 30 10 JEEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCCN(Cc2nc([C@H](C)OC)no2)CC1 1749670953 YCLQDCWJJHHERZ-KRWDZBQOSA-N 472.594 2.041 30 10 JEEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1749677894 ODOPMZDPONNMRY-CYFREDJKSA-N 455.559 2.242 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCS(=O)CC1 1749725733 XVXVQZHAWOUHMO-UHFFFAOYSA-N 450.630 2.412 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC(NC(=O)c2ccccc2)CC1 1749729188 DCPPAINWMIRCEM-UHFFFAOYSA-N 480.594 2.340 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCC(n3cc([N+](=O)[O-])cn3)CC2)nnc1C(C)(C)C 1749739969 OOAACHGWEZOISS-UHFFFAOYSA-N 451.553 2.123 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CCN1CCSCC1)[C@H]1CCS(=O)(=O)C1 1760182916 KWDMNTGJYUCBSG-IBGZPJMESA-N 480.059 2.274 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@]1(N2CCOCC2)CCSC1 1760193618 KCOSVAJRGMQSMH-SANMLTNESA-N 492.649 2.428 30 10 JEEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1CC(F)(F)CO1 1760226204 OCPSYWUHNXZSAD-OAHLLOKOSA-N 452.531 2.430 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCN(CC)CCC)CC1 1760267373 JOVCNOOWHDNPRT-UHFFFAOYSA-N 480.613 2.414 30 10 JEEE C#CCSCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCN(C)C(=O)[C@H]1C 1760279608 HFWMCLIVPAEZLZ-QGZVFWFLSA-N 479.610 2.098 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCN([C@@H](C)C(=O)NCCCOC)CC2)nnc1C(C)(C)C 1760326997 AUYDOVKCJXEVBH-ACRUOGEOSA-N 476.666 2.220 30 10 JEEE C=C(C)COCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCS(=O)(=O)CC1 1760355160 ACWKCZJWYPFRIB-UHFFFAOYSA-N 486.598 2.063 30 10 JEEE C=C(C)COCCn1c(-c2cccc(C)n2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1760355733 ULABXVFYNLTATF-UHFFFAOYSA-N 462.558 2.062 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1760517367 KTBNRFQJLIODSV-WMZOPIPTSA-N 471.558 2.278 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1760527639 DAADNSMAZHKWMF-UHFFFAOYSA-N 495.971 2.170 30 10 JEEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1760559039 BLCUTWJPPYLZJP-GFCCVEGCSA-N 479.554 2.043 30 10 JEEE CCc1nn(C)c(OC)c1Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](OC)[C@H](OC)C1 1764675618 BXJIJDCEZWSKNK-BGYRXZFFSA-N 451.531 2.020 30 10 JEEE CN(C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCCO2)CC1)S(C)(=O)=O 1767000293 DLVQKPKECOCUMV-HXUWFJFHSA-N 458.588 2.246 30 10 JEEE CN(CC(=O)N1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H](c1cccs1)N(C)C 1767010570 CPAPQVGYGKHOCS-HXUWFJFHSA-N 479.610 2.476 30 10 JEEE CCS(=O)(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(OC)CCOC2)CC1 1768201183 FGMFYVNASKSXCH-QFIPXVFZSA-N 459.572 2.026 30 10 JEEE CN(c1ccc(NS(=O)(=O)c2ccc3c(c2)OCO3)cn1)S(=O)(=O)c1ccccc1C#N 1858267617 YQMWKYATTJGKDC-UHFFFAOYSA-N 472.504 2.308 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)CSc2nnnn2-c2ccc(C(=O)OC)cc2)nc1C 1865755352 TXWBIFSVNDGYQF-UHFFFAOYSA-N 474.524 2.287 30 10 JEEE CCCC[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1)C(=O)Nc1ccc(C#N)cc1 1866592602 GYWWZDUULUVLSN-QHCPKHFHSA-N 497.621 2.422 30 10 JEEE CSCC[C@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc(N2CCN(C)CC2)cc1 1869928533 OFAQTFOUZIQKGD-FQEVSTJZSA-N 487.651 2.237 30 10 JEEE COc1ccc(N2CCN(C(=O)[C@H](CC(C)C)N=C3NS(=O)(=O)c4ccccc43)CC2)cc1 1869930405 ZVLMZZFEWNKILH-NRFANRHFSA-N 470.595 2.497 30 10 JEEE COc1cc(OC)cc(-n2nnc(C#N)c2NC(=O)CCCN2C(=O)c3ccccc3C2=O)c1 1870144343 YTFQFRAMKRCVHC-UHFFFAOYSA-N 460.450 2.171 30 10 JEEE C=CCn1c(C(=O)Nc2ccc(OC)c(OC)c2)cc2c(N3CCN(CCO)CC3)ncnc21 1873661458 SLUKLOLREILAGN-UHFFFAOYSA-N 466.542 2.001 30 10 JEEE N#Cc1cnn(-c2cc(F)cc(F)c2)c1NC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 1873684731 MWQUAQCEZKOMEX-UHFFFAOYSA-N 452.333 2.165 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](O)C[C@@H]1C(=O)NCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2180960979 NYQYKPHJEJCNDW-RBUKOAKNSA-N 460.380 2.362 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@H]2[C@@H]1[C@H]2C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2185151928 RHKOOURZXRAGRG-CEXWTWQISA-N 458.364 2.236 30 10 JEEE CC1(C)OB(c2cc(C(=O)NC3CN(C(=O)OCc4ccccc4)C3)c(O)cc2O)OC1(C)C 2255981298 XPZRJWNCZYTGBI-UHFFFAOYSA-N 468.315 2.148 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1CCO[C@@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2256618232 OUPXGJFPJGAXIQ-JSGCOSHPSA-N 453.370 2.311 30 10 JEEE CC(C)(C)OC(=O)NC[C@]1(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)s2)CCCO1 2256636691 OFVPGNUIEHNQMF-FQEVSTJZSA-N 453.370 2.455 30 10 JEEE CN(Cc1sccc1B1OC(C)(C)C(C)(C)O1)C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C 2256669344 NYCQLQVHJYYSBS-OAHLLOKOSA-N 454.398 2.281 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC1(CNC(=O)OC(C)(C)C)COC1 2267198365 XCPXZXONVNANRR-UHFFFAOYSA-N 467.397 2.022 30 10 JEEE CC(C)(C)OC(=O)N[C@@]1(CO)CCCN(C(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267498858 XBSYKHMVMKQUOM-QFIPXVFZSA-N 450.341 2.071 30 10 JEEE Cc1sc(C(=O)N2C[C@@H](O)C[C@H](NC(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2267541942 KWZZAHDBAVCDPL-GJZGRUSLSA-N 466.409 2.456 30 10 JEEE C[C@@H]1CC[C@H](CNC(=O)C(F)(F)F)N(C(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)C1 2267544570 WKNAXEJHFGTHRG-VXGBXAGGSA-N 461.315 2.362 30 10 JEEE C=C(CS(=O)(=O)N1CCC[C@H]2CC[C@@]21CNC(=O)C(F)(F)F)B1OC(C)(C)C(C)(C)O1 2267722156 IQWMUNHLINNQBW-KBXCAEBGSA-N 466.331 2.427 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1CCN1S(=O)(=O)Cc1ccccc1B1OC(C)(C)C(C)(C)O1 2267723029 NAFAEVLQVYDZSF-KRWDZBQOSA-N 466.409 2.415 30 10 JEEE CC(C)(C)OC(=O)N1CCn2c(COc3cc(B4OC(C)(C)C(C)(C)O4)ccn3)nnc2C1 2280704140 WWNJMQMYHZOXNF-UHFFFAOYSA-N 457.340 2.302 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@](O)(CNC(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2281945691 MYFRRBYAZRCRGO-DEOSSOPVSA-N 460.380 2.478 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H](CNC(=O)OC(C)(C)C)C(F)(F)F 2282005767 RBJAVRDOQONUHD-GFCCVEGCSA-N 476.305 2.213 30 10 JEEE Cn1cc(C(=O)N2CCC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)nc1B1OC(C)(C)C(C)(C)O1 2282050298 ACVYCOOHDGMVJU-DOTOQJQBSA-N 460.384 2.191 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NCCN(C[C@H](C)O)C(=O)OC(C)(C)C 2282121673 DLVBJZFCJKXPOF-INIZCTEOSA-N 465.400 2.155 30 10 JEEE Cn1cc(C(=O)N[C@@H]2[C@@H]3CCCCN(C(=O)OC(C)(C)C)[C@@H]32)nc1B1OC(C)(C)C(C)(C)O1 2282552400 QDURHAXRLWHPSI-UAGQMJEPSA-N 460.384 2.237 30 10 JEEE Cc1c(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282554634 GSNCMAUNCBNPBZ-ZBFHGGJFSA-N 462.400 2.403 30 10 JEEE Cn1ncc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C23CCC3)c1B1OC(C)(C)C(C)(C)O1 2282561085 QHJMVTRSMFMXKC-MRXNPFEDSA-N 460.384 2.381 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C1 2282582051 QMJNGPDJUMIISZ-GASCZTMLSA-N 462.400 2.498 30 10 JEEE Cc1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C(=O)O)oc1B1OC(C)(C)C(C)(C)O1 2282584090 RFRDHMMARBXRPW-CQSZACIVSA-N 464.324 2.033 30 10 JEEE Cn1nc(C(=O)N[C@]23CCC[C@H]2CN(C(=O)OC(C)(C)C)C3)cc1B1OC(C)(C)C(C)(C)O1 2282626709 DGEHMSWKABKSNN-WNSKOXEYSA-N 460.384 2.239 30 10 JEEE CC(C)(C)OC(=O)NCC1CC(F)(CNC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2282676821 PQCIZGGNIXZYIT-UHFFFAOYSA-N 464.347 2.149 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC[C@@](C)(NC(=O)C(F)(F)F)C1 2282832032 IFOXHNBTCXAQGX-LJQANCHMSA-N 476.326 2.126 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](NS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)[C@H]2C[C@@H]21 2282842564 ACDNHRDJXGXUDJ-YCPHGPKFSA-N 499.464 2.260 30 10 JEEE CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1csc(B2OC(C)(C)C(C)(C)O2)c1 2283955208 CYKKXZLJZKETJY-INIZCTEOSA-N 482.408 2.462 30 10 JEEE Cc1c(C(=O)N2C[C@H]3C[C@]3(CNC(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2288263017 MWFFULZHTYZKAZ-CMJOXMDJSA-N 460.384 2.015 30 10 JEEE C=CCN1C(=O)[C@]2(C(=C(O)c3ccc(C)o3)C(=O)C(=O)N2CCCN2CCOCC2)c2ccccc21 2296147228 NPEDVTZSUWKHFI-HHHXNRCGSA-N 491.544 2.419 30 10 JEEE Cc1nc2ccccn2c1C(O)=C1C(=O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1ccco1 2296927195 XWRHAMHQTZYHIP-OAQYLSRUSA-N 450.495 2.380 30 10 JEEE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(C#N)cc3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 2297635338 VTGHVUPSOXVRDK-QFIPXVFZSA-N 473.510 2.399 30 10 JEEE COc1ccc(CNc2c(C=C3SC(=S)N(CC(=O)O)C3=O)c(C)c(C#N)c(=O)n2C)cc1 2314523063 HUGZXRHMSLZVCB-UHFFFAOYSA-N 484.559 2.472 30 10 JEEE CC(C)(C)OC(=O)N1CC2(CC[C@H](NC(=O)c3ncsc3B3OC(C)(C)C(C)(C)O3)CO2)C1 2362297164 CISUBBOKZLQFLZ-AWEZNQCLSA-N 479.408 2.341 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2[C@@H]3CCCN(C(=O)OC(C)(C)C)[C@@H]32)n1C 2362478349 KRQUAZPLRXGDST-XHSDSOJGSA-N 460.384 2.155 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(C)[C@H](CNC(=O)OC(C)(C)C)C2CC2)n1C 2362482091 AVUCBAZZXATTLX-MRXNPFEDSA-N 462.400 2.403 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H](C)[C@@H](CNC(=O)OC(C)(C)C)C2)n1C 2362491076 ZHUBLSIXGBMVNY-ZBFHGGJFSA-N 462.400 2.261 30 10 JEEE COc1ccccc1N1CCN(C(=O)c2cccc(/N=C3\N[C@H]4CS(=O)(=O)C[C@@H]4S3)c2)CC1 9524594 PIPGRVILDQORJC-RXVVDRJESA-N 486.619 2.147 30 10 JEEE N#Cc1nccnc1O[C@H]1CC[C@H](NC(=O)CN2CCN(c3ccc(F)c(F)c3)C2=O)CC1 238932161 VEGRBFRGZJFKSO-KOMQPUFPSA-N 456.453 2.375 30 10 JEEE COc1ccc(C(C)=NNc2nnc(SCC(=O)Nc3nc(C)cs3)n2N)cc1OC 1084266784 CNNOOUQCECBVDY-UHFFFAOYSA-N 462.561 2.341 30 10 JEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1ccc(OC)c(S(=O)(=O)NC2CCCC2)c1 1130820735 AKMBWTXBFIJZCG-UHFFFAOYSA-N 450.557 2.333 30 10 JEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCc1c[nH]nc1C 1286400744 KKYVTVUKGPKZIR-UHFFFAOYSA-N 464.599 2.284 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 1286410418 SZYQCUVIVIUTIL-MOPGFXCFSA-N 487.626 2.043 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(=C)Cl 1286458063 JDGMBABRYCXDJB-GOSISDBHSA-N 467.954 2.142 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 1286467676 SOAAYQDGQNMMHI-CTNGQTDRSA-N 453.543 2.034 30 10 JEEE C#CCN(CCOC)c1nnc(Cc2ccsc2)n1Cc1cccc(N2CCOCC2)n1 1286469078 PUQYOMOXKHCTKY-UHFFFAOYSA-N 452.584 2.296 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cn(C)c4ccccc34)n2C[C@H](F)COC)CC1 1286490388 SRCGXUJINPRAQZ-SFHVURJKSA-N 452.534 2.387 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1286558379 OJMNZGDYYOQDMP-LPHOPBHVSA-N 466.633 2.098 30 10 JEEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1286706116 KEFISBZZWOXYMT-UHFFFAOYSA-N 467.574 2.499 30 10 JEEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)c2ccc(F)cc2)CC1 1286710340 UGJRLLYGYWYJLS-FQEVSTJZSA-N 470.549 2.360 30 10 JEEE C=CCN(c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCS(=O)(=O)N(C)C)C1CC1 1286738512 VSNAVJXEIGHATK-UHFFFAOYSA-N 482.651 2.439 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1C(F)(F)C12CCC2 1286758419 NAOZLOQNFICHDP-CVEARBPZSA-N 457.547 2.225 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1286795068 DYYXVJNXFCRWPO-JZXOWHBKSA-N 461.588 2.100 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCSCC(F)(F)F)C1 1286808746 DVHNQGNLLDDFLR-KGLIPLIRSA-N 454.540 2.257 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N(C)CCc1cccs1 1286819459 LIZKILMCSMGOER-UHFFFAOYSA-N 463.585 2.347 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1286823807 YOHNNSUTARWXKH-RBUKOAKNSA-N 471.631 2.036 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(F)cc2Br)n1CCNS(=O)(=O)CC 1300286255 GSSVEAKPXOGASH-LBPRGKRZSA-N 458.357 2.244 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1CCCN(C(C)=O)C1 1300307376 FQZUKJSRUXJLIF-ICSRJNTNSA-N 450.591 2.169 30 10 JEEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@H]1CN(CC(C)C)CCO1 1300317240 MWUUZWHRMZOHHB-AHWVRZQESA-N 493.700 2.458 30 10 JEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@](C)(c2ccccc2)C1 1300363736 FWAOPIIJAWDYIJ-XUZZJYLKSA-N 487.626 2.167 30 10 JEEE C#CCN(c1nnc(CSc2ccc(C)cc2)n1C[C@]1(O)CCO[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1300504715 QZIIFIPKMYJXRE-SELNLUPBSA-N 490.651 2.045 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCc1nnc(C)s1 1300528112 PUAMNDGZROGHCW-UHFFFAOYSA-N 458.551 2.150 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC[S@@](=O)CC)CC1 1300718252 HOUSMEYFUXHZDR-YTTGMZPUSA-N 478.018 2.342 30 10 JEEE C=CC[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1)c1ccccc1 1301164637 BIWMPYSYBSLJNP-YSIASYRMSA-N 472.615 2.059 30 10 JEEE C=CCCOCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1301245194 FXBWMVOWTAUXEU-HNNXBMFYSA-N 454.984 2.056 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1301484093 ACYRCCAOALAVKY-WFASDCNBSA-N 454.409 2.312 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CC[C@@H](CN(CC)CC(F)(F)F)C1 1301491059 LHMFHQZIPWXSLC-INIZCTEOSA-N 451.497 2.353 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC(=O)N1CCOCC1 1301967470 DNVIIMJOIIIQCJ-RTBURBONSA-N 489.621 2.237 30 10 JEEE Cc1ccn2cc(Cn3c([C@@H](C)NS(C)(=O)=O)nnc3N(C)Cc3cccc(C#N)c3)nc2c1 1304257571 BXJVUHDQFQEYEF-QGZVFWFLSA-N 478.582 2.401 30 10 JEEE N#Cc1cc(F)ccc1N1CCN(S(=O)(=O)c2ccccc2S(=O)(=O)C(F)F)CC1 1309777369 GWKZJOOGNYOUPT-UHFFFAOYSA-N 459.471 2.205 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1CCCNC(=O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1358959137 CLEKLJAVCBPFIN-LJQANCHMSA-N 457.600 2.043 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1ccc(OC)cc1OC)[C@H]1CCS(=O)(=O)C1 1358961484 ZYRGRYOKJTXTHY-IBGZPJMESA-N 481.578 2.341 30 10 JEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1358981946 DGCPURFAIIEFNP-KDURUIRLSA-N 468.627 2.230 30 10 JEEE C#CCN(CCOC)c1nnc(Cn2ccc3ccccc32)n1CCN1CCOC(C)(C)C1 1359026773 KDRNBIDQJIEVQM-UHFFFAOYSA-N 450.587 2.478 30 10 JEEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1359077659 IGULCYKLONSFQW-GJZGRUSLSA-N 465.414 2.314 30 10 JEEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC2(CC1)CNC(=O)C2 1359089443 JCEVCWSDVNXPGI-HOCLYGCPSA-N 454.369 2.017 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(S(C)(=O)=O)CC1 1359095453 OJOQHWPVKDMVHV-AEFFLSMTSA-N 466.995 2.056 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccccc2F)nnc1N1CCC(OCC(N)=O)CC1 1359102118 WTYAJHHSDWAZOB-WZONZLPQSA-N 457.550 2.460 30 10 JEEE C=C(Cl)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@H](C(=O)NCCC)C1 1359145734 AQYQOAWDBFEPHB-KRWDZBQOSA-N 455.954 2.416 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)nc1 1359277764 VNQATDGXJHJEBY-GOSISDBHSA-N 457.556 2.460 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)NCC(=O)c2cncc(Br)c2)ccc1F 1471073759 QBXLYPQADZVKDU-UHFFFAOYSA-N 456.293 2.060 30 10 JEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](NC(=O)c3ccc(Cl)cc3)C2)cc1 1472152986 ZMPLYMFUGAIVJR-LJQANCHMSA-N 459.955 2.286 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1CCc1ccc(OC)c(F)c1)[C@H]1CCS(=O)(=O)C1 1507630750 GVTLHJIRCZJFID-IBGZPJMESA-N 469.542 2.357 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1C[C@H]1CC[C@]2(CCOC2)O1 1507643330 LMOUHCYERBIYOP-DYESRHJHSA-N 458.360 2.457 30 10 JEEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1C[C@@H](c1ccc(C)cc1)N1CCOCC1 1507675884 GYIYCXGRURZABQ-QFIPXVFZSA-N 450.587 2.356 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2CC(C)(C)N2CCOCC2)CC1 1507732735 SBPQAJPYHIOXKM-UHFFFAOYSA-N 452.603 2.032 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2Cc2ccc(NC(=O)N(C)C)cc2)CC1 1507737119 ZQXSBHPATFEDJZ-UHFFFAOYSA-N 486.580 2.448 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1507811181 OARTYSKAFDYZRP-LAUBAEHRSA-N 458.563 2.491 30 10 JEEE C=C(Cl)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1507859858 DLMCFAQWCPNLLG-CQSZACIVSA-N 453.952 2.192 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCCO1 1508003311 XVMWLNXIVZNSEH-RTWAWAEBSA-N 475.615 2.373 30 10 JEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCCN(C(=O)CC2CCCC2)CC1 1508090288 GORXBTFCULKEEP-UHFFFAOYSA-N 482.633 2.061 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(=O)OCC(C)C)CC1 1508096701 BXWNMXJSTFXRDT-UYAOXDASSA-N 476.622 2.414 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCC[C@H](CC(N)=O)C2)cc1 1508098216 YPNCAHVUSORKEU-LJQANCHMSA-N 452.559 2.219 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](C)c2c(C)noc2C)C1 1508110837 UWWXNCSCYYACGO-YSVLISHTSA-N 452.581 2.078 30 10 JEEE CN(CCC1CC1)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1517280429 FCSXWZJITJBSFI-IBGZPJMESA-N 458.588 2.247 30 10 JEEE C=CCC1(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)CCOCC1 1531779302 PFKWIGYPZBIGPM-UHFFFAOYSA-N 450.557 2.100 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCCCCC2)nc1 1538974272 SBGLWRINYIISCK-QZTJIDSGSA-N 459.620 2.170 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCN1CCN(C)C(C)(C)C1 1539002270 BWSNSZHSHFJOCZ-IBGZPJMESA-N 476.629 2.159 30 10 JEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCN1CCCCC1=O 1539179883 TURNPUWXEHDFEM-GOSISDBHSA-N 460.579 2.059 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1CCOc1ccc(Cl)cn1)[C@@H]1CCS(=O)(=O)C1 1539210318 CONJLGXILKRDIH-QGZVFWFLSA-N 472.958 2.094 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H](c1ccsc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1539211777 OUCHWTZQONOTDL-ICSRJNTNSA-N 472.640 2.275 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(C(=O)N(C)C)c1 1539290744 LTTMOIKXONXDSX-UHFFFAOYSA-N 455.522 2.138 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ncccc2C)CC1 1539470004 XDEBWPAXDRKKBK-RUZDIDTESA-N 466.586 2.036 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2CCC(=O)NC(C)(C)C)CC1 1539490061 RCLDSAUMDYMEIJ-UHFFFAOYSA-N 484.576 2.267 30 10 JEEE C=C(Cl)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)CC[C@@H]2C1 1539804522 XXPHDYXMSJBULM-HZPDHXFCSA-N 466.970 2.150 30 10 JEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1539967389 QMJUEGBEOLOTNK-OWCLPIDISA-N 481.541 2.123 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N(C)[C@H](C)c1ccc([S@@](C)=O)cc1 1540902865 SJNIMEJDRAORIP-ZINNWBBGSA-N 466.629 2.318 30 10 JEEE CN(C[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCCO2)C1)S(C)(=O)=O 1554228771 GADAHJFGUOXMEB-TZIWHRDSSA-N 472.615 2.494 30 10 JEEE COc1cccc(C2(CNC(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)CC2)c1 1564856145 GEOYRKYGXVYXTG-UHFFFAOYSA-N 454.552 2.315 30 10 JEEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@H](C)CN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1588044639 AASDEOXYXMQJJJ-RTBURBONSA-N 459.591 2.443 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@]1(O)CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1588058721 BBPFLSLZJCSYKN-XTQVGHSUSA-N 460.575 2.186 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1Cc1cccc(CN2CCO[C@H](C)C2)c1 1588173479 BNWBVGQJSSTMGC-OAQYLSRUSA-N 462.598 2.148 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@](C)(O)c2ccco2)CC1 1588946560 FBWQXNPKHRRKAI-AREMUKBSSA-N 477.565 2.344 30 10 JEEE C#CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC(OCC(N)=O)CC1 1589126021 VIJUUTPGJRUPOL-SFHVURJKSA-N 492.646 2.187 30 10 JEEE C=C(Br)Cn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@H](CC(N)=O)C1 1589383728 ZSEJIQOYUXPGPG-LBPRGKRZSA-N 451.325 2.006 30 10 JEEE C=CC1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCCNS(=O)(=O)CC)CC1 1594237825 WURFYKPKQNQTHP-UHFFFAOYSA-N 488.662 2.184 30 10 JEEE C=CCCOCCn1c(-c2ccc(F)cc2Br)nnc1N1CCO[C@H](C(=O)NC)C1 1594798826 XQJCRDKYQNJLJF-KRWDZBQOSA-N 482.354 2.391 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(N(C)C)CCC[C@@H](C)C1)C1CC1 1595058500 NUAXUNKGQWUHSB-RFWXGWTQSA-N 480.679 2.276 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(CN2CCOCC2)c1 1595218273 ICWMWEKKXYHNEO-JOCHJYFZSA-N 471.627 2.239 30 10 JEEE C=CCn1c(N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)nnc1[C@]1(OC(C)C)CCOC1 1595461393 SRRKSEQNWAHAFM-JTSKRJEESA-N 451.568 2.235 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1595496985 MZCBBGHXDONZPV-SJORKVTESA-N 472.590 2.192 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1595517056 NPLLWUZHTLTDPC-YCRPNKLZSA-N 476.375 2.394 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1595595026 QFWMRASOTXNKRD-SFHVURJKSA-N 472.565 2.430 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@H](c2noc(C)n2)C1 1595772711 GURHAIYVYPVEJM-KRWDZBQOSA-N 478.962 2.469 30 10 JEEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C[C@@H](C(F)(F)F)O1 1612909138 HQBKLYWIDPQZEZ-KYJSFNMBSA-N 498.531 2.254 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC(F)(F)F 1613588347 FXDCUOKZXSQHNR-CYBMUJFWSA-N 465.484 2.136 30 10 JEEE N#C[C@H]1CN(c2nnc(CN3CCCC3=O)n2Cc2cc(Br)cs2)CCO1 1620356750 HUXVQQUMJJCWEE-ZDUSSCGKSA-N 451.350 2.002 30 10 JEEE C#Cc1ccc(C(=O)N2CC[C@H]3[C@H](C2)NC(=O)N3C2CCN(C(=O)OC(C)(C)C)CC2)nc1 1626484730 RRRMQQFTNMSZTG-PMACEKPBSA-N 453.543 2.071 30 10 JEEE C#CCNC(=O)CN1CCCN(C(=O)[C@H](C)[C@H](NC(=O)OC(C)(C)C)c2ccccc2)CC1 1627015245 LTNNLKYHJPFGOP-KNQAVFIVSA-N 456.587 2.172 30 10 JEEE C#CCC1(O)CCN(C(=O)NCCCNC(=O)c2cc(OC)ccc2Br)CC1 1634267906 HAOZUICQVYAXQI-UHFFFAOYSA-N 452.349 2.137 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@H]([C@H]2CCCCN2C(=O)CCn2cc(C#N)c(O)nc2=O)C1 1637601135 BSFJLCDOISOSGG-FUHWJXTLSA-N 459.547 2.239 30 10 JEEE COc1ccc(S(=O)(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)cc1C(=O)N(C)C 1662835765 DGPZHPYPPZTVHY-UHFFFAOYSA-N 456.568 2.212 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2CCN2CCSCC2)c1 1689870559 RRWLIVBPMVIYPM-UHFFFAOYSA-N 461.595 2.445 30 10 JEEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(OC)c(Br)c1 1689966302 OTQPOMIEFRXVHG-OAHLLOKOSA-N 467.389 2.263 30 10 JEEE C#CCN(c1nnc(CC)n1Cc1ccc(OC)c(Br)c1)[C@H]1CCS(=O)(=O)C1 1689993025 TZHBPOPKQXWCDC-HNNXBMFYSA-N 467.389 2.287 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1CC(=O)N(CCOC)C1 1690075238 GDKJYFUUZMJFPQ-UXHICEINSA-N 488.633 2.347 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CCn2cc(Br)cn2)CC1 1690139685 XLEKKXZHDCWCOP-UHFFFAOYSA-N 486.374 2.472 30 10 JEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)Nc2ccccc2)CC1 1690171008 UJVYXLVCBZYIMU-LJQANCHMSA-N 452.584 2.451 30 10 JEEE C#CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](CC(N)=O)C1 1690174652 HMQOJVIQCBJTHX-MSOLQXFVSA-N 492.646 2.045 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CCC(C(=O)NCCOC)CC1 1690244993 BIYUENUZLDKRSS-HBMCJLEFSA-N 461.607 2.132 30 10 JEEE C=CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCN1CCN(C(C)=O)CC1 1690525703 OIRQTJHAFRFMJG-FQEVSTJZSA-N 475.638 2.179 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCC(=O)N2)n1CC(=O)NCC(F)(F)F 1690569062 CARSAHLAUQLSNH-OAHLLOKOSA-N 454.428 2.239 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCN(Cc2cc(C)no2)CC1 1690720323 FTVYKTXDBQPOKZ-UHFFFAOYSA-N 456.572 2.165 30 10 JEEE CC[C@@H]1CCCCN1CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)C1 1694857369 DCVHUQWICLNHSM-HXUWFJFHSA-N 451.575 2.272 30 10 JEEE CN(C)CC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1696613786 BZHRLWKBGLSJBI-JOCHJYFZSA-N 495.628 2.144 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1Cc1cn(C2COC2)nn1 1705477505 OYHOGOQJLUSUQO-DLBZAZTESA-N 451.531 2.486 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1ccc(OC)c(O)c1)[C@H]1CCS(=O)(=O)C1 1705567332 WRZJXLKIRFDUIY-SFHVURJKSA-N 467.551 2.038 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1C[C@H](CC)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1705570836 RWWYOLMYWGXYHB-ZWKOTPCHSA-N 467.636 2.407 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc3ccccc3o2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1705623393 QFTJHOBMETVJKN-QGZVFWFLSA-N 457.556 2.059 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1705652232 SNKZGSRPJBHVKY-LJQANCHMSA-N 452.584 2.325 30 10 JEEE C#CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1705662220 SWUKBLVJOTYATM-FQEVSTJZSA-N 491.639 2.017 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(CC)s1 1705674371 HNMJSNDLVQIWIQ-GHTZIAJQSA-N 463.629 2.275 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CNC(=O)CCC)C1 1705699893 MWMASOCLKAYZOB-IIZPIQPGSA-N 493.674 2.294 30 10 JEEE C=C(Cl)Cn1c(N2CCN(c3nccnc3C#N)C[C@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 1705760761 RFTBDFDOORKJLT-VGOFRKELSA-N 472.981 2.448 30 10 JEEE C=CCC(C)(C)Cn1c(Cc2ccncc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1705793736 IKJUTRXUNPPPQN-UHFFFAOYSA-N 453.591 2.039 30 10 JEEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@]1(O)CCS(=O)(=O)C1 1705882070 KDHGFJAUPZBLQH-LJQANCHMSA-N 475.398 2.440 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](C(C)C)N2CCOCC2)C1 1705929363 PHQYPMKKTCMQQY-VXKWHMMOSA-N 457.623 2.278 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 1705932495 VEHHJDPSKZBZQR-UHFFFAOYSA-N 483.554 2.176 30 10 JEEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@@H]2CCCCO2)C1 1710345862 IDMPQJDRAGKSIT-VQTJNVASSA-N 458.588 2.294 30 10 JEEE CN(CCn1c(-c2cccc(C#N)c2)nnc1N(C)CCN1CCOCC1)C(=O)OC(C)(C)C 1711207889 GGEMNJDNZYOPAE-UHFFFAOYSA-N 469.590 2.452 30 10 JEEE COCC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCCC[C@@H]2C)CC1 1712106619 CJUKQNUDKSOSEX-NRFANRHFSA-N 495.628 2.288 30 10 JEEE COCC1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(CC(N)=O)CC2)CCOCC1 1712198469 CQTUYXUHIGCHNC-UHFFFAOYSA-N 452.559 2.352 30 10 JEEE C#CCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1722325826 MCKICCBQLAYZST-UHFFFAOYSA-N 458.513 2.361 30 10 JEEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(c2ccnc(C)n2)CC1 1722331893 ABBIMGUOAQTXTJ-HXUWFJFHSA-N 496.616 2.425 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1cccc(NC(C)=O)c1)[C@H]1CCS(=O)(=O)C1 1722368045 OYJVFUXKCJTVMQ-NRFANRHFSA-N 478.578 2.282 30 10 JEEE C#CCN(c1nnc(CCOc2ccccc2)n1C[C@H]1CCCS1)[C@@H]1CCS(=O)(=O)C1 1722371761 LHQFCNURJRXHPB-UYAOXDASSA-N 460.625 2.422 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(Br)cc3)n2CC2(O)CCC2)CC1 1722441764 LSHDFCYTDDZCEK-UHFFFAOYSA-N 460.376 2.290 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CCN(C)C2CCCCC2)CC1 1722449770 ZAHLFAVTWDQZES-UHFFFAOYSA-N 463.630 2.494 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCCn1cc(Br)cn1 1722466632 BFSYFIQWZKOQPR-DNVCBOLYSA-N 498.451 2.320 30 10 JEEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCN(CC2CCOCC2)CC1 1722479482 JDHZVGDSHPZBJK-KRWDZBQOSA-N 472.428 2.459 30 10 JEEE C=C(C)COCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)N2CCCC2)CC1 1722527409 IKQQMRQBIKPAJF-UHFFFAOYSA-N 461.611 2.127 30 10 JEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(C)cc2)C(=O)C1 1722536195 SKCBUSXVZZUKMY-UHFFFAOYSA-N 452.559 2.155 30 10 JEEE C=CCCOCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1722628930 CVIOHCUZWKOMQC-UHFFFAOYSA-N 472.565 2.175 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C)on1 1722657026 OKZXYEQWXYRSGB-OAQYLSRUSA-N 497.581 2.020 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(CN(C)Cc2ccccc2)CC1 1722692179 GZNHJYAHGZPHTJ-UHFFFAOYSA-N 479.629 2.165 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H]2CCCN(C(C)=O)C2)C1 1722711146 SDYLDIHJGXKZCD-PQNGQFLHSA-N 461.607 2.359 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2Cc2nnn(C)n2)C1 1722719201 YJZBAFRNIVDVTG-HNNXBMFYSA-N 459.352 2.369 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(C)nc3ccccc23)nnc1N(C)C[C@H](C)C(=O)NC 1722724423 WQQYQKCMWSGVPB-INIZCTEOSA-N 470.599 2.221 30 10 JEEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1722733059 WIYJIAHRGGAGRM-IBGZPJMESA-N 471.631 2.393 30 10 JEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(N(C)C(=O)OCC)CC1 1722738425 JIOGUBUBPPOCHG-MRXNPFEDSA-N 471.649 2.157 30 10 JEEE C[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](C(F)(F)F)C1)N1CCOCC1 1723855939 GJWJFNAORVGLQZ-LPHOPBHVSA-N 480.491 2.217 30 10 JEEE COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CN(CC(C)C)CCO2)CC1 1729791264 FPZPNSMZLVCURX-NRFANRHFSA-N 467.574 2.062 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H](C)CN1CCOCC1 1740562918 OZZNZISFCOTWOF-ZGXWSNOMSA-N 460.623 2.475 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1cccc(Br)n1)[C@H]1CCS(=O)(=O)C1 1740615486 FQDDITWMCDGQPA-HNNXBMFYSA-N 466.405 2.408 30 10 JEEE C#CCN(c1nnc(C2CCC2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1740623686 ZHGBCHSDOWPDNE-WSTZPKSXSA-N 463.648 2.060 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1c[nH]c2ccc(F)cc12 1740648259 FAOGBWLRWRMOMY-MRXNPFEDSA-N 456.547 2.214 30 10 JEEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCC(=O)Nc1cccc(Cl)c1C 1740661644 GXYGPHCATRGNAO-HNNXBMFYSA-N 466.995 2.338 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[S@@](=O)C(C)(C)C)CC1 1740689787 IAWPELNISUZDIK-MGBGTMOVSA-N 470.643 2.450 30 10 JEEE C#CCN1CCN(c2nnc(C(C)(C)C)n2Cc2cccc(NC(=O)[C@H]3CCCO3)c2)CC1 1740690150 NQLUHMQJPDTSOW-OAQYLSRUSA-N 450.587 2.497 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCc2ccc(OC)c(OC)c2)CC1 1740706051 QSJXMXXBIIXMFP-FQEVSTJZSA-N 467.570 2.008 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2CCCc2nc(C)no2)CC1 1740707463 CVMCNQWWOYBLGY-UHFFFAOYSA-N 477.569 2.456 30 10 JEEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1740721670 PRJVTGYSDWKZKZ-LEWJYISDSA-N 453.568 2.479 30 10 JEEE C=C(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1740781903 KCYJUZFFJKVSKJ-UHFFFAOYSA-N 485.614 2.066 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](OC)C1 1740991286 RYXAGBDBEISIDV-ROUUACIJSA-N 483.635 2.219 30 10 JEEE CC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1)N1CCCC1 1744124344 CBXQSJYRWSNDDJ-GHTZIAJQSA-N 471.631 2.161 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCCS(C)(=O)=O 1748665030 MRKQLGRBVGDUNK-MRXNPFEDSA-N 456.572 2.129 30 10 JEEE C#CCN(c1nnc([C@@H](C)CC)n1CC1(N2CCOCC2)CCCCC1)[C@H]1CCS(=O)(=O)C1 1748804529 ISNBRPKUHRYZPE-SFTDATJTSA-N 477.675 2.453 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCCn1cccn1 1748842696 SJCDKTCGDUHECG-UHFFFAOYSA-N 454.538 2.425 30 10 JEEE C#CCN(CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC1(C(N)=O)CCCC1 1748935898 DXXVPGPMXQHYFJ-UHFFFAOYSA-N 463.630 2.148 30 10 JEEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1749032974 WOFAQQUGUMGGCU-UHFFFAOYSA-N 453.547 2.147 30 10 JEEE C=C(Cn1c(-c2cnn(C)c2)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1)c1ccccc1 1749244197 HNFBSERGQDTLMO-NRFANRHFSA-N 470.599 2.422 30 10 JEEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(C#N)c1 1749402309 LRXQAUKNBZDSOW-HXUWFJFHSA-N 458.588 2.475 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2c(c1)[C@@H](C)[C@H](C)O2 1749487011 AKEOPNCAMQBRLQ-FTRWYGJKSA-N 461.588 2.166 30 10 JEEE COCC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1749605568 AYULIIGJDUHJBH-DENIHFKCSA-N 461.588 2.008 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC2(CCOCC2)C1 1749653271 ZYHJAGQFYKFYNL-UHFFFAOYSA-N 463.380 2.355 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H]3CCCCO3)nnc2N2CCN(CCOC)C(=O)C2)cc1 1749684173 RWAKOHIRQKXZIX-NRFANRHFSA-N 455.559 2.428 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1749730443 DWEPLKKMOYNQPB-CALCHBBNSA-N 476.603 2.177 30 10 JEEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCS(C)(=O)=O)C[C@@H]1NC(=O)OC(C)(C)C 1752311691 DDFQDLLIFXQQKE-YJBOKZPZSA-N 474.587 2.211 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](C)CN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1760182076 BKHSKFXWDQOXON-SIKLNZKXSA-N 466.611 2.175 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCN(C)C(=O)OC(C)(C)C)CC1 1760259165 ZJVSXWNJNGEPJC-UHFFFAOYSA-N 468.558 2.296 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C(C)C)N2CCOCC2)CC1 1760267144 HETBWHFWMZUPQQ-XMMPIXPASA-N 489.624 2.139 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(COC)CCOCC2)CC1 1760267596 SDKJUPJEIYCYBS-UHFFFAOYSA-N 476.581 2.226 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@H](CC(C)C)NC(=O)OCC)CC1 1760273056 GZNNLENXWKFBSO-VQTJNVASSA-N 474.606 2.256 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1CC1(S(C)(=O)=O)CCCC1 1760291061 YXQWIMXOKLXYTM-IRLDBZIGSA-N 450.605 2.280 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)CCCC(=O)NC 1760322855 YHOAUWWFDVIYCW-IFMALSPDSA-N 482.633 2.396 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1760342989 SHLJYJNLNUYYJB-UGKGYDQZSA-N 488.658 2.319 30 10 JEEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 1760449093 ACQLUTQBAUTUDJ-HXUWFJFHSA-N 458.607 2.297 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CCN(CC(C)C)C(=O)C1 1760514697 DUJIEROJPFLERF-UHFFFAOYSA-N 475.391 2.314 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3nn(C(C)C)c(=O)c4ccccc34)n2CCS(C)(=O)=O)C1 1760544488 ASRYOTBEUIRILH-QGZVFWFLSA-N 486.598 2.062 30 10 JEEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 1760565538 ZGQJQALCLBPCRY-GOSISDBHSA-N 456.620 2.388 30 10 JEEE CC(=O)NC1CCC(N(C)c2nnc(-c3cccc(C#N)c3)n2CCCc2cnn(C)n2)CC1 1760633461 FXBWUDWJZPNDBY-UHFFFAOYSA-N 461.574 2.462 30 10 JEEE CC[C@@H](C)NC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C(=O)OC)C1 1762050187 BUERONIESYMHFX-SJLPKXTDSA-N 454.531 2.033 30 10 JEEE C[C@@H]1COCCN1CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1763231845 ATIPAEKRPXGAOB-VQIMIIECSA-N 491.518 2.042 30 10 JEEE CN(CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cccc(F)c2C#N)CC1)CC(F)(F)F 1768917179 BKSCBFJSSNLGJU-KRWDZBQOSA-N 494.497 2.061 30 10 JEEE C[C@H]1COC(C)(C)CN1c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1771506016 DAKOIKUKQFJVGN-WMZOPIPTSA-N 458.588 2.102 30 10 JEEE C=CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CC(=O)N(CCc2ccc(OC)c(OC)c2)C1 1861590873 WTOICURSVWBGRX-FGZHOGPDSA-N 479.577 2.125 30 10 JEEE CCCCCCCCCCn1cc(OCC(=O)N2CCOCC2)c(=O)cc1CN(CCO)CCO 1870583138 GTADHVJVUZJDNU-UHFFFAOYSA-N 495.661 2.013 30 10 JEEE C#CCOc1cn(CCc2ccc(S(N)(=O)=O)cc2)c(CNc2ccc(N(C)C)cc2)cc1=O 1871008746 LMYJKBCBOXFNPJ-UHFFFAOYSA-N 480.590 2.429 30 10 JEEE NC(=O)CSc1nnc(COc2cc(F)ccc2F)n1/N=C/c1ccc2c(c1)OCCO2 1874261645 LOXPJIJYSRIXPP-PGGKNCGUSA-N 461.450 2.366 30 10 JEEE CN(c1cc(C#N)ccn1)C1CCN(C(=O)C[C@H]2CSc3nc4c(c(=O)n32)CCC4)CC1 1890321030 BBHRXKMMBKQYCV-KRWDZBQOSA-N 450.568 2.163 30 10 JEEE Cc1nc(I)c(I)n1C[C@@](N)(C#N)C1(Cl)CC1 2025840953 RSVQOZGWTSSUOP-JTQLQIEISA-N 476.487 2.393 30 10 JEEE CN[C@@H](C#Cc1ccccc1Br)[C@@H](NC(=O)OC(C)(C)C)C1CS(=O)(=O)C1 2235727591 PRPLEQPDCXPVQH-IRXDYDNUSA-N 457.390 2.327 30 10 JEEE CN(Cc1sccc1B1OC(C)(C)C(C)(C)O1)C(=O)[C@H](CCO)NC(=O)OC(C)(C)C 2256669343 NYCQLQVHJYYSBS-HNNXBMFYSA-N 454.398 2.281 30 10 JEEE Cc1nc(C(=O)N2CC[C@@H](NC(=O)C(F)(F)F)[C@H](C)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2267169055 VYOMHTOUFOGICB-ZYHUDNBSSA-N 461.315 2.280 30 10 JEEE Cc1cc(C(=O)N(CCO)CCCNC(=O)OC(C)(C)C)oc1B1OC(C)(C)C(C)(C)O1 2267520108 KPQLFFSROYRSIQ-UHFFFAOYSA-N 452.357 2.237 30 10 JEEE Cc1cc(C(=O)N[C@H]2COCCN(C(=O)OC(C)(C)C)C2)oc1B1OC(C)(C)C(C)(C)O1 2267520291 KPQDEMOUERYAPS-OAHLLOKOSA-N 450.341 2.253 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](NC(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)CCO1 2267561323 NYCVBETXPGNKJA-LSDHHAIUSA-N 450.341 2.381 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C[C@H]1CCO 2267598390 ZFETUASLYOBUKN-OAHLLOKOSA-N 466.409 2.491 30 10 JEEE COC[C@@H](ONC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccc(B2OC(C)(C)C(C)(C)O2)s1 2268629742 APAQBULAGQVRKS-OAHLLOKOSA-N 470.397 2.477 30 10 JEEE 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)F 2281926369 MSMPKFVDAWULPR-QWHCGFSZSA-N 474.289 2.237 30 10 JEEE Cc1c(C(=O)N[C@@H]2C[C@@H](NC(=O)OC(C)(C)C)C2(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281989799 DZZUKHDTRLOHKZ-HUUCEWRRSA-N 462.400 2.449 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@H]1CCCN(C(=O)C(F)(F)F)C1 2282127468 YMDHCNCUALELKZ-CQSZACIVSA-N 457.302 2.338 30 10 JEEE CC(C)(C)OC(=O)NCCOCCOCCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282588969 XVERKACHGXKVIJ-UHFFFAOYSA-N 484.424 2.335 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H]2[C@H](C1)[C@@H]2CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2282611889 PVDFKZXCTHXCLH-ZACQAIPSSA-N 458.368 2.009 30 10 JEEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CN(C(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CCO1 2282667256 PMVUZQNOFCJJNT-QAPCUYQASA-N 461.368 2.135 30 10 JEEE CC(C)(C)OC(=O)NC1[C@H]2CN(S(=O)(=O)c3ccc(F)c(B4OC(C)(C)C(C)(C)O4)c3)C[C@H]12 2282886812 AIISKBCEQAZMNG-GJZGRUSLSA-N 482.383 2.269 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2CCO[C@]2(C(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)C1 2283959315 KXFRBSFTAJLBMF-IQMFZBJNSA-N 459.352 2.345 30 10 JEEE CO[C@@]1(C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)CCCN(C(=O)OC(C)(C)C)C1 2284060106 XQAHWDWLSDPUBK-QFIPXVFZSA-N 481.424 2.475 30 10 JEEE Cc1csc(CNC(=O)[C@@H](F)C2(O)CN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2284063219 POGRDWSCZFEMTE-MRXNPFEDSA-N 484.399 2.292 30 10 JEEE CO[C@H]1[C@@H](C(=O)N[C@H]2CCC=C2B2OC(C)(C)C(C)(C)O2)N(C(=O)OC(C)(C)C)C[C@H]1OC 2284144472 YIADYLKKTLVJHN-XWTMOSNGSA-N 466.384 2.472 30 10 JEEE Cn1cc(C(=O)NCc2csc(CNC(=O)OC(C)(C)C)n2)c(B2OC(C)(C)C(C)(C)O2)n1 2286748592 QYWLKDMFHQCBOV-UHFFFAOYSA-N 477.396 2.131 30 10 JEEE COC(=O)c1[nH]c(C)c(C(O)=C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccccc2OC)c1C 2296114347 XZQUHVOWEYRWOO-FQEVSTJZSA-N 455.511 2.410 30 10 JEEE CCOc1ccc(C(O)=C2C(=O)C(=O)N(c3ccccc3)[C@@]2(C(=O)OC)N2CCOCC2)cc1 2296136257 XFODXOXWVLUPIM-VWLOTQADSA-N 466.490 2.172 30 10 JEEE COC(=O)c1ccc([C@@H]2C(=C(O)c3cnc(C)nc3C)C(=O)C(=O)N2CCCN(C)C)cc1 2296625767 AACDPTKPIFGPRY-HXUWFJFHSA-N 452.511 2.253 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)N1CC[C@H](B2OC(C)(C)C(C)(C)O2)C1 2319672299 QXJYTJGEIJQFSX-GJZGRUSLSA-N 460.402 2.009 30 10 JEEE COc1ccc(OC[C@H](O)Cn2c(NN=Cc3ccc(C)cc3)nc3c2c(O)nc(=O)n3C)cc1 2327751600 PRJDIFSQRZYMRA-QGZVFWFLSA-N 478.509 2.039 30 10 JEEE COc1ccccc1OCc1nnc(SCC(N)=O)n1N=Cc1cc(OC)c(O)c(OC)c1 2328261389 MFOGDIMLBLVWQA-UHFFFAOYSA-N 473.511 2.048 30 10 JEEE CC(C)(C)OC(=O)N1CC(OCCCNC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2337067965 SSXBJWZNDLPYIJ-UHFFFAOYSA-N 467.397 2.198 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C)n1C 2362342532 ZXXUQBHLAUZNCU-GDBMZVCRSA-N 462.400 2.403 30 10 JEEE COCC1(NC(=O)OC(C)(C)C)CC(N=c2ccc(B3OC(C)(C)C(C)(C)O3)c(OC)[nH]2)C1 2365348503 RGVUZOSZSCSZOS-UHFFFAOYSA-N 463.384 2.296 30 10 JEEE COc1cccc(CNC(=O)CSc2n[nH]c(N/N=C/c3cnn(C(C)C)c3)n2)c1OC 20910190 LVBIOYVRWAHKTG-GZIVZEMBSA-N 458.548 2.454 30 10 JEEE O=C(/C=C\c1ccco1)C1=C(O)C(=O)N(CCN2CCOCC2)[C@@H]1c1cccc([N+](=O)[O-])c1 111831415 SOCDMVZMXKKINJ-IZRJCCQOSA-N 453.451 2.498 30 10 JEEE Cc1ccc(N2C(=O)[C@@H]3[C@H](c4ccc(C#N)cc4)N[C@](C(=O)O)([C@H](C)O)[C@@H]3C2=O)cc1Cl 248162791 PSYHFWMLYLYGLF-SRPXWDDNSA-N 453.882 2.174 30 10 JEEE CCN1C(=O)C(=NNc2nc3c(c(O)nc(=O)n3C)n2CCc2ccccc2)c2ccccc21 254484513 DMJSHHKSIFTHBQ-UHFFFAOYSA-N 457.494 2.261 30 10 JEEE CCCCn1c(=C(C#N)C(=O)c2ccc3c(c2)OCO3)sc(=Cc2cnn3ccccc23)c1=O 729670033 HQNIRTCVCUALSY-UHFFFAOYSA-N 472.526 2.472 30 10 JEEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)O[C@H](C)C(=O)NCCc1ccc2c(c1)OCCO2 914993183 BHLXLRVYRMOBJQ-QGZVFWFLSA-N 477.521 2.212 30 10 JEEE COc1cc(NC(=O)CCSc2nnc(NN=Cc3cnn(C(C)C)c3)n2N)cc(OC)c1 1084431988 AIYLDAZDJDQAPI-UHFFFAOYSA-N 473.563 2.353 30 10 JEEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1286348224 HKPVDIQVSSPTPM-SFHVURJKSA-N 461.570 2.346 30 10 JEEE C#CCCCn1c([C@H]2CCCOC2)nnc1N1CCCN(Cc2nc([C@@H](C)OC)no2)CC1 1286350279 YICKGTILBPCJJL-MOPGFXCFSA-N 457.579 2.388 30 10 JEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](C)Oc2ccc(OC)cc2)CC1 1286484943 RFROUNNDBZYNSR-NRFANRHFSA-N 463.586 2.371 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@H]2CC(=O)N(CCOC)C2)CC1 1286489109 GBRGOYIFQXMCBS-GOSISDBHSA-N 499.015 2.059 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1CCCCN1CCN(CC)CC1 1286516961 OCAPQCCRCXQXNT-RUZDIDTESA-N 464.618 2.335 30 10 JEEE C=CCn1c(-c2cc(OC)ccc2Br)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1286770738 UWVXLYMBVHOGAB-UHFFFAOYSA-N 491.390 2.075 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)Cc1cnn(C)c1C 1286788246 SODVVCKZKGGCAZ-SFHVURJKSA-N 486.621 2.373 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCN(CC2CCOCC2)CC1 1286789825 XDTQTCSEAVWQEA-UHFFFAOYSA-N 452.603 2.028 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC(Oc3ncccc3F)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1286793155 TZZHCFKITTYIEM-XMMPIXPASA-N 488.564 2.203 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(c2ncccn2)CC1 1286817572 WAAVZCULQWRJKC-UHFFFAOYSA-N 473.990 2.316 30 10 JEEE Cc1ccc(OCc2nnc(N3CC[C@](F)(C#N)C3)n2CCCn2cc(CO)nn2)cc1C 1289804806 CHQOJGQVDFDWCU-QFIPXVFZSA-N 454.510 2.090 30 10 JEEE C#CCN(c1nnc(C2CCN(c3ncccn3)CC2)n1C/C=C\CC)[C@@H]1CCS(=O)(=O)C1 1300495326 GFPXYWBEUOOHQW-KKHYBRAUSA-N 469.615 2.045 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1300503019 ACIDXSJPWNIPKY-HXUWFJFHSA-N 470.574 2.148 30 10 JEEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1CCn1cc([C@@H]2CCOC2)cn1 1300635680 SQMKDAJGAAWNHI-QGZVFWFLSA-N 453.572 2.130 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cccc(C(C)(C)O)c2)CC1 1301086746 OOZVDFUOXADPFX-FQEVSTJZSA-N 475.615 2.043 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC(C(N)=O)CC2)cc1 1301520727 MUFGVVMGOOGMIB-UHFFFAOYSA-N 461.526 2.240 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2nc3cccc(Cl)c3n2C)C1 1301538721 KMOXOAUKURADTC-CABCVRRESA-N 494.021 2.258 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[C@@H](C)N2CCCCC2)C1 1301556602 INIYOKZJPOCFCD-HSALFYBXSA-N 451.637 2.226 30 10 JEEE Cc1ccc([C@H](Cn2c(C(=O)NC(C)C)nnc2N(C)C[C@H](C)C#N)N2CCOCC2)cc1 1304270413 BVAMNBDNBVNGAS-CTNGQTDRSA-N 453.591 2.394 30 10 JEEE C#CCN(C)c1nnc(-c2ccc(Br)s2)n1CCS(=O)(=O)N1CCSCC1 1358941986 FFXIJLNMDGBHQH-UHFFFAOYSA-N 490.474 2.217 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1Cc1cc(C)on1)[C@@H]1CCS(=O)(=O)C1 1358956169 BIMLOCZPQGOFMW-MRXNPFEDSA-N 493.387 2.018 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CC(=O)NC1CCCCC1)[C@H]1CCS(=O)(=O)C1 1358967302 HUEINMIGRMRQGV-NRFANRHFSA-N 499.637 2.241 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H]1CCCN(C(C)=O)C1 1358991955 UZYAQXNWILTXTB-NRFANRHFSA-N 485.592 2.396 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC1 1359043315 PWRLUEOIXQBOFH-HXUWFJFHSA-N 490.530 2.174 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2Cc2ccccc2OCCOC)CC1 1359043495 WEDHYILQGYFXEY-UHFFFAOYSA-N 476.581 2.323 30 10 JEEE C#CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(CCOC)[C@@H](C)C1 1359059514 PPADLFRTQDXUEE-IBGZPJMESA-N 453.616 2.040 30 10 JEEE C#CCSCCn1c(COc2ccc(F)cc2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1359060788 HMKKNHRJILNRNH-FQEVSTJZSA-N 486.573 2.129 30 10 JEEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(=O)NCCCC)C1 1359084899 VSJRNMHBIOLMFJ-HOTGVXAUSA-N 488.452 2.222 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2F)nnc1N1CCN(CC(=O)NCC)CC1 1359094493 BTHDREUBGFOOBQ-AVRDEDQJSA-N 456.566 2.324 30 10 JEEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1359197970 DSOGUHZITAXJTB-ZDUSSCGKSA-N 461.514 2.480 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccoc1 1359259229 OWVIAUSRMHCYGP-FQEVSTJZSA-N 457.556 2.445 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCC(CC(N)=O)CC1 1359296001 TYXLISMJQZWYGY-UHFFFAOYSA-N 491.390 2.110 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(Cc3ccncc3)n2Cc2ccc(S(C)(=O)=O)cc2)C1 1359323154 IZZFDGREUMQAIJ-FQEVSTJZSA-N 453.568 2.497 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1C[C@H](C)O[C@@H](c2ccsc2)C1 1359331363 WNRQGXZSOZBVSN-MAUKXSAKSA-N 462.601 2.307 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1359334891 UBGCWDOXMSFEQR-SFHVURJKSA-N 479.672 2.221 30 10 JEEE CC(C)[C@@](C)(O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@](F)(C#N)C1 1359647683 FOLOSBLCFGZTQD-SFTDATJTSA-N 464.567 2.044 30 10 JEEE C[C@]1(C#N)CCCN(c2nnc(Cc3cccnc3)n2CCc2ccc(S(N)(=O)=O)cc2)C1 1360784558 HGECDDBQHMOETK-HSZRJFAPSA-N 465.583 2.284 30 10 JEEE Cc1cc(C)cc(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@@H](C)C#N)c1 1361016671 DYILMKIQHQSXQP-ICSRJNTNSA-N 460.604 2.066 30 10 JEEE CCCCN(C)C(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnnn2C)CC1 1500363010 FFDZEIZWPFZHGX-UHFFFAOYSA-N 461.574 2.468 30 10 JEEE CCOC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2([S@](C)=O)CC2)C1 1502524572 BJUQPUYNXINARK-CVCYQNGTSA-N 456.572 2.443 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H]1CCN(CC)C1)[C@@H]1CCS(=O)(=O)C1 1507622608 KEHMWRWKSXJPCQ-IFMALSPDSA-N 498.653 2.116 30 10 JEEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1C[C@@H](C)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1507625551 KCHXWULOLCBZJU-YMPZKCBVSA-N 485.654 2.167 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2cn(CCCC)nc2C)CC1 1507737622 CWJVDTYUQXOTJS-UHFFFAOYSA-N 461.574 2.054 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@H]2CCCN(CC(C)C)C2)CC1 1507739727 UWPGHZQPFOPPLH-UNMCSNQZSA-N 456.635 2.116 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCO[C@@H]2C(C)C)CC1 1507739946 HEHQUTZSUBBBJZ-DENIHFKCSA-N 498.653 2.297 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1507804973 LODOEMRDZBOPKA-PXCRPINLSA-N 480.679 2.180 30 10 JEEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(Oc2cncc(Cl)n2)CC1 1507832311 YHOKTTCVOYHLSG-AWEZNQCLSA-N 452.968 2.248 30 10 JEEE C=C(C)COCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCN(C(=O)COC)CC1 1507843547 OBXRQCZRCIEDLL-UHFFFAOYSA-N 466.542 2.488 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N(C)C[C@@H]1CCN(Cc2ccccc2)C1 1508089767 KQOLYIIQVRBWNX-FCHUYYIVSA-N 452.603 2.433 30 10 JEEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccnc1OCC(F)F 1509950956 GITAVYPPMNWJGN-HIFRSBDPSA-N 454.503 2.006 30 10 JEEE CCC[C@H](C)C(=O)NCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1514284439 DORBXBQFOCLBJK-SIKLNZKXSA-N 493.612 2.402 30 10 JEEE CN1CCN(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCOC(C)(C)C2)CC1(C)C 1517420491 FKLNDQVYEFBDQX-UHFFFAOYSA-N 467.618 2.370 30 10 JEEE C=CCc1cc(C(=O)N2CCN(c3ccc(S(=O)(=O)NC)cc3)CC2)cc(OC)c1OC 1533810079 RZCXTRKRTJQLIY-UHFFFAOYSA-N 459.568 2.303 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CC[C@H](C(F)F)N1CCOCC1 1539003460 DEFJEPHWVWNXSK-CRAIPNDOSA-N 471.512 2.408 30 10 JEEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1C[C@@H]1CCN(CC)C1)[C@@H]1CCS(=O)(=O)C1 1539231086 SLYAYRGOMAESSD-FGZHOGPDSA-N 485.654 2.442 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccccn2)n1CCNC(=O)c1cc[nH]n1 1539392844 VYSIMOMRRPZIGV-UHFFFAOYSA-N 458.501 2.196 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2Cc2c(CC)nn(C)c2OC)CC1 1539481282 JYIZZDRSIZXSTA-UHFFFAOYSA-N 453.591 2.254 30 10 JEEE C=C(C)COCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1539722473 NXYQBTCMPCSMBT-HKUYNNGSSA-N 472.977 2.169 30 10 JEEE C=CC[C@H](Cn1c(N2CCO[C@H](C(=O)NC)C2)nnc1[C@@]1(OCC)CCOC1)c1ccccc1 1539947343 IYMDBATUDPGRIJ-TYBLODHISA-N 469.586 2.241 30 10 JEEE C=CCCOCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CC(=O)N(C)[C@@H](C)C1 1540033266 CLGMAZUVFCSFNC-SFHVURJKSA-N 479.585 2.496 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1C[C@H](OC)C(C)(C)C1 1540869135 CNILFVWFIFRTHH-IBGZPJMESA-N 479.585 2.399 30 10 JEEE COCC(C)(C)Cn1c([C@H]2CCCCO2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1555219464 FTPXDYORPJHCLQ-LJQANCHMSA-N 456.595 2.433 30 10 JEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(O)(Cc2cccc(C)c2)CC1 1587807484 DSAYXTQAKCGXAN-LJQANCHMSA-N 459.616 2.184 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@]1(C)CCCO1)[C@@H]1CCS(=O)(=O)C1 1588034439 FZZQACGCWXEJSM-WZONZLPQSA-N 474.583 2.158 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCC1(OC)CCC1)[C@H]1CCS(=O)(=O)C1 1588039955 GQNMDSLPFOIZDZ-FQEVSTJZSA-N 453.568 2.403 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1nncn1C)[C@@H]1CCS(=O)(=O)C1 1588040296 LKBCUYUKGNTEMQ-CQSZACIVSA-N 480.381 2.055 30 10 JEEE C#CCN(c1nnc(-c2ccccc2F)n1Cc1ccc(N(C)C)nc1)[C@H]1CCS(=O)(=O)C1 1588044750 BWHWIZUVLXOFHY-SFHVURJKSA-N 468.558 2.220 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1CCc1ccc(OCC(F)(F)F)nc1)[C@@H]1CCS(=O)(=O)C1 1588064581 KYIHKCKNXBSDBE-GOSISDBHSA-N 497.543 2.436 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CC[S@](=O)CC)CC1 1588780044 FUBBKTKMOGKYAR-JGCGQSQUSA-N 459.616 2.265 30 10 JEEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1589088831 KGIALQXYCACLOB-NRFANRHFSA-N 481.670 2.153 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1cccc([N+](=O)[O-])c1)C1CC1 1593636600 OCEIZDYHINXPCY-LJQANCHMSA-N 476.559 2.264 30 10 JEEE C=C(C)COCCn1c(Cc2ccccc2F)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1593751993 BOBPRLHUNGFFHY-DEOSSOPVSA-N 470.549 2.415 30 10 JEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCN(C)CC(F)(F)F)CC1 1594195093 ZTKQSZTWEQNVFI-AWEZNQCLSA-N 452.547 2.175 30 10 JEEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCSCC2)cc1 1594857964 UVTGARYAQFGGGT-MRXNPFEDSA-N 450.634 2.112 30 10 JEEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1595335605 WZNGCXUYTULUHA-UHFFFAOYSA-N 471.505 2.430 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CCC(C)(C)C)CC1 1595760229 LLJQSVKRSGXKBK-UHFFFAOYSA-N 489.646 2.084 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1ccc(C(C)(C)O)cc1 1611696302 FKZQUWXVTPNHJE-AOMKIAJQSA-N 460.604 2.294 30 10 JEEE C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1CCN(C)C(=O)OC(C)(C)C 1612877319 HPWQEJYCQCZGLJ-MRXNPFEDSA-N 453.547 2.351 30 10 JEEE CCOC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CCC2)C1 1616014387 AQLFDRNAMBXLPV-IBGZPJMESA-N 486.598 2.499 30 10 JEEE N#C[C@@]1(F)CCN(c2nnc(-c3cccc(Cl)c3)n2CCNS(=O)(=O)Cc2ccon2)C1 1620345466 BPMAQKRBEHQDKU-IBGZPJMESA-N 479.925 2.148 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)s1 1625117186 CSARGAVFQUQHDT-AWEZNQCLSA-N 456.611 2.378 30 10 JEEE C#CCNC(=O)CN1CCCN(C(=O)C[C@@H]2CN(C(=O)OC(C)(C)C)c3ccccc32)CC1 1627015721 ZANWUVYXBWNGSK-LJQANCHMSA-N 454.571 2.199 30 10 JEEE C#CCNS(=O)(=O)c1ccc(C(=O)N(CCO)Cc2cc(Br)cs2)cc1 1633975473 GTSWEHLSLUJISC-UHFFFAOYSA-N 457.371 2.057 30 10 JEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCS(=O)(=O)[C@@H]2CCC[C@H]21 1640748620 BQZUEMWYWOHFLE-GDBMZVCRSA-N 457.346 2.276 30 10 JEEE N#Cc1cc(F)c(S(=O)(=O)N2CC[C@@H](C(=O)NCC(F)(F)F)C2)cc1Br 1655059297 HTCVCSMPNLADFM-MRVPVSSYSA-N 458.231 2.149 30 10 JEEE Cn1cc(CCNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c2ccccc21 1674496881 CDYJEVICLNSIGD-UHFFFAOYSA-N 451.552 2.309 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCC[C@H]1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1681943962 XQJCDLWHYJRZTB-FHWLQOOXSA-N 450.580 2.221 30 10 JEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1689914073 ZVGOKFATQMTMEW-BZSNNMDCSA-N 482.651 2.431 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(OCCC)nc2)CC1 1690152200 BUSVLVIKMXAZKW-UHFFFAOYSA-N 490.612 2.338 30 10 JEEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1690299454 RXMOCBPASOKQBL-HDICACEKSA-N 462.595 2.312 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1690661657 COHOBAYPCPWERI-LJQANCHMSA-N 487.511 2.259 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1690664597 YWUXALHWXRQWRO-IBGZPJMESA-N 455.950 2.311 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 1690670641 GKPYYFALRNDWEA-MOPGFXCFSA-N 467.574 2.380 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1690722861 YFXRXMGNEAABDN-UHFFFAOYSA-N 483.554 2.176 30 10 JEEE CCOc1ccc(O[C@H](C)c2nnc(N3CCO[C@H](C#N)C3)n2CCc2n[nH]c(C)n2)cc1 1696137329 BLCPZAGUURWXLH-DNVCBOLYSA-N 452.519 2.215 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCCOC(C)C)[C@@H]1CCS(=O)(=O)C1 1705562612 GOHGJFKFFLFOFD-QGZVFWFLSA-N 451.980 2.435 30 10 JEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 1705739769 QBOSMXITSXMDNS-KRWDZBQOSA-N 459.551 2.078 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(C)s2)CC1 1705781725 GYNDVQVBUSOVPV-SFHVURJKSA-N 451.618 2.432 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C(=O)c2ccco2)CC1 1705903896 XVURSOXWXCTBCN-UHFFFAOYSA-N 454.918 2.456 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(Cc2ccccc2)C[C@H]1C 1705938057 LQTJMQVCSFPPFC-JOCHJYFZSA-N 497.669 2.451 30 10 JEEE Cc1cc(C)n(Cc2nnc(N3CCO[C@H](c4cccc(C#N)c4)C3)n2CCC(=O)N(C)C)n1 1707833841 FUVBXOVSBXQQCT-NRFANRHFSA-N 462.558 2.068 30 10 JEEE CCc1nnc(Cn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N2CCC(C#N)CC2)s1 1709018255 IDWAZIZKJHFJQN-UHFFFAOYSA-N 486.627 2.398 30 10 JEEE CCN1CCN([C@H](C)Cn2c(CNC(=O)c3cccs3)nnc2N(C)[C@@H](C)CC#N)CC1 1710269919 GDBHRWPZGRYMIG-ZWKOTPCHSA-N 458.636 2.034 30 10 JEEE CNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2C[C@H](C)O[C@H](C)C2)CC1 1711351108 HPPZXCNAYAMZSY-KDURUIRLSA-N 465.602 2.278 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1CCS(=O)(=O)CC1 1722305984 NOSMXJFYZDTVDA-NXHRZFHOSA-N 465.620 2.332 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCCO3)n2CC2(S(C)(=O)=O)CC2)c1 1722310400 VLIGXTQXGPEVDH-IBGZPJMESA-N 471.583 2.153 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CCCC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1722367114 VBZSQJSOLNPPRK-URXFXBBRSA-N 494.658 2.152 30 10 JEEE C#CCN(c1nnc(COCC)n1Cc1ccccc1N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1722371082 TUKQPMOFUKPDFU-OAQYLSRUSA-N 471.627 2.480 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@H]1CCOC[C@H]1OC 1722375643 RIIKGBZUKYYUKB-DYESRHJHSA-N 454.527 2.095 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1722490817 DMAKHZWHDWETCG-CUUWFGFTSA-N 463.623 2.140 30 10 JEEE C=C(C)Cn1c([C@@H](C)OCCOC)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 1722519614 FWMHUJDFXQEWPJ-LJQANCHMSA-N 463.604 2.479 30 10 JEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(F)cc1F 1722618984 XXHOAKXSINMDNF-GOSISDBHSA-N 455.531 2.492 30 10 JEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCC(C)CC2)CC1 1722629967 QTZOPDLZCWYMSK-KBWCOIMZSA-N 465.664 2.474 30 10 JEEE C=CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H]1CCCS(=O)(=O)C1 1722678422 QINNUPWIODABNA-QGZVFWFLSA-N 462.572 2.180 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCn2cc(Br)cn2)C1 1722710218 FNGBVQAMQHUTGI-YLJYHZDGSA-N 481.395 2.371 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1722730098 INNXUXZZLYDICJ-LEWJYISDSA-N 487.626 2.322 30 10 JEEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1ccc(N2CCOCC2)nc1 1740558531 WJXSQLVOCTXVHG-IBGZPJMESA-N 457.538 2.467 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1Cc1cnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1740625085 NPNAFWMBZYLLPV-MRXNPFEDSA-N 462.626 2.074 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCCC1 1740656201 ILCWGXUOVUQBRY-FQEVSTJZSA-N 456.591 2.145 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1nnc2n1CCC2 1740686870 YNASRMDWIYRNJF-GOSISDBHSA-N 484.605 2.065 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc(C)o3)n2C[C@@H]2CCCCS2(=O)=O)n1 1740687850 LWWQDGSDPDOZDF-FQEVSTJZSA-N 486.598 2.297 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H]2CN(CC(C)C)CCO2)CC1 1740690505 WCKZGXOZODVSAA-XMMPIXPASA-N 493.656 2.259 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2Cc2c(CC)nn(C)c2OC)CC1 1740701469 IHXPRORDJKNFMX-UHFFFAOYSA-N 465.558 2.165 30 10 JEEE C=CCN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1740903795 LSIYLVTUARUJDQ-INIZCTEOSA-N 467.603 2.393 30 10 JEEE C=CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@]1(C)COCCO1 1740940339 BRUKNJNEMJGKNG-DEOSSOPVSA-N 468.558 2.119 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@](O)(c2ccc(C)cc2)C1 1740995347 IWVABTPSLYHPPN-PTLVVNQVSA-N 490.626 2.009 30 10 JEEE CC(=O)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)C(C)(C)C)CC1 1741037902 DMJYYIIVHRZKFX-UHFFFAOYSA-N 488.614 2.001 30 10 JEEE CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1CC(C)(C)N1CCOCC1 1747393765 GLZOQOYQMCEQDB-SFHVURJKSA-N 474.631 2.187 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1CC1(NC(=O)OC(C)(C)C)COC1 1748657531 CWILRQULVFASQX-OAHLLOKOSA-N 455.515 2.425 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OCC)CCOC3)n2C[C@H]2CCOC2)c1 1748691746 LVFVVRPGQNMSRR-DVECYGJZSA-N 453.543 2.023 30 10 JEEE C#CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1748711917 BXYNBZUYFZZDTN-KRWDZBQOSA-N 478.644 2.055 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1ccc(-n2ccnc2C)nc1)[C@H]1CCS(=O)(=O)C1 1748817020 CKAMRGBMEYJRHY-FQEVSTJZSA-N 481.626 2.431 30 10 JEEE C#CCN(c1nnc([C@H]2COc3ccccc3O2)n1CCOCCC=C)[C@@H]1CCS(=O)(=O)C1 1748818364 ZEIPZCCOLGAZNZ-WIYYLYMNSA-N 472.567 2.010 30 10 JEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1cccc(CO)c1 1748828840 NKCKGIJOXSNMNK-UHFFFAOYSA-N 462.579 2.160 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2CC(C)(C)c2ccc3c(c2)OCO3)CC1 1748979106 WJJMITJZQHHLLP-LJQANCHMSA-N 469.586 2.464 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCOCC(F)(F)C(F)F)CC1 1748990529 YFRDMNWXSDPLAP-GOSISDBHSA-N 483.466 2.463 30 10 JEEE C=C(Cl)Cn1c(N2CCN(CC(=O)N3CCCCC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1749283755 AZONIVIOVLNXNY-QHCPKHFHSA-N 481.041 2.206 30 10 JEEE C=CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1749606333 UGYDDRSIQKGVGP-YLJYHZDGSA-N 479.578 2.374 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC(C(=O)Nc2ccc(C)cn2)CC1 1749676555 UYQCXOBQZSXXRY-UHFFFAOYSA-N 474.569 2.125 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccn3)n2C[C@H](N2CCOCC2)C(F)(F)F)C1 1749703957 SKMBOTRWFLARGB-AEFFLSMTSA-N 452.481 2.385 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCCN(c2ccc(OC)cc2)CC1 1749730573 JGJCQHFFJWQUHQ-UHFFFAOYSA-N 485.614 2.005 30 10 JEEE CSC1(Cn2c(-c3cccc(C#N)c3)nnc2N2CC(=O)N(C)C[C@@H]2C)CCN(C)CC1 1750257803 FHNRPUZXLNPWCB-KRWDZBQOSA-N 453.616 2.311 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@]1(O)CCSC1 1760111931 XEWSZKIFGKRRAW-HJPURHCSSA-N 452.584 2.391 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C/C=C/c1ccccc1)[C@H]1CCS(=O)(=O)C1 1760191833 OBRGRZPANDPBIO-NJTIBFSMSA-N 464.595 2.480 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccc(Br)cc2)n1CCCn1ccnn1 1760207704 SZYPBYGUVCXBFQ-UHFFFAOYSA-N 454.332 2.374 30 10 JEEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC2(CC1)CNC(=O)C2 1760277232 DXWHPLXAKIJYCS-UHFFFAOYSA-N 455.584 2.435 30 10 JEEE C=CCCOCCn1c(Cc2ccncc2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1760451977 ACMVPFAAEGUKSG-URXFXBBRSA-N 481.645 2.236 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1760519256 XNPYCWVWTRWWMQ-ZDUSSCGKSA-N 494.419 2.112 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1760519374 BGGPNKNOLPFKLD-LPHOPBHVSA-N 465.558 2.468 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1760519448 DNCTXBIREUJEPH-BXKMTCNYSA-N 471.558 2.039 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2cccnn2)CC1 1760531988 HQQFKOXJGDEHIK-UHFFFAOYSA-N 462.558 2.146 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1760552401 MJNDESAQIUDYOD-HRAATJIYSA-N 450.536 2.069 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CCOC2(CCC2)C1 1760558714 XYNNEVNJMBICIN-UHFFFAOYSA-N 450.536 2.356 30 10 JEEE C=CCSCCn1c(-c2ccccc2C)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1760563613 XACKOMAENGCZPY-UHFFFAOYSA-N 454.600 2.100 30 10 JEEE C=CCN(CC=C)c1nc(NC(=O)CCc2cccc(OC)c2)n([C@H]2CCS(=O)(=O)C2)n1 1870004837 NGZGSAWAMRKMQD-SFHVURJKSA-N 459.572 2.396 30 10 JEEE N#Cc1ccc(Cn2nnc3c(=O)n(CC(=O)Nc4cccc(Br)c4)cnc32)cc1 1870102128 BXGYIJOBXHUZAP-UHFFFAOYSA-N 464.283 2.309 30 10 JEEE COc1cc(/C=N/n2c(CCOc3ccccc3)nnc2SCC(N)=O)cc(OC)c1OC 1874345521 SRAODUHRJXRAKX-ZMOGYAJESA-N 471.539 2.385 30 10 JEEE CC(=O)NCc1nnc(SCC(=O)Nc2ccccc2C)n1/N=C/c1ccc(O)cc1O 1874431333 KNBFAGDGDIJUSV-AUEPDCJTSA-N 454.512 2.247 30 10 JEEE C=CCn1c(C(=O)N2CCN(CCO)CC2)cc2c(NCCc3ccc(OC)c(OC)c3)ncnc21 1875228395 NCXWVSIGAOCAIC-UHFFFAOYSA-N 494.596 2.039 30 10 JEEE COC[C@@]1(C(=O)N2CC(CB3OC(C)(C)C(C)(C)O3)C2)CN(C(=O)OC(C)(C)C)CCO1 2124539518 WMQSHOSRQQKXRU-JOCHJYFZSA-N 454.373 2.190 30 10 JEEE Cn1nc(C(=O)N2CC(C)(NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2255650038 AVNFMNPMEIYNPT-UHFFFAOYSA-N 454.764 2.112 30 10 JEEE Cc1cc(C(=O)N[C@H]2COC[C@H]2NC(=O)OC(C)(C)C)sc1B1OC(C)(C)C(C)(C)O1 2255863486 WVACZFJJSNGNRO-UONOGXRCSA-N 452.382 2.378 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCC[C@H]1CC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2256627406 AGUQAGOHFWOELT-STQMWFEESA-N 452.386 2.281 30 10 JEEE CC(C)(C)OC(=O)NC1(C(=O)NCc2cc(B3OC(C)(C)C(C)(C)O3)cs2)CC(O)C1 2256677676 GTXUSGSKIOSKMB-UHFFFAOYSA-N 452.382 2.082 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@](O)(CNC(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267003973 XBZVYFBOCZILGL-QFIPXVFZSA-N 450.341 2.071 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@](C)(CNC(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267010320 UEHZXMMZWPTOAW-JOCHJYFZSA-N 450.341 2.335 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)[C@](C)(CO)C1 2267010478 VCJTUBMXZUQMAX-QFIPXVFZSA-N 450.341 2.023 30 10 JEEE C[C@@H]1CC[C@H](NC(=O)C(F)(F)F)CN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2267367876 AFBCDEGZUNXMMY-NEPJUHHUSA-N 482.355 2.267 30 10 JEEE CC(C)(C)OC(=O)N1CC2(C1)CN(S(=O)(=O)c1cccc(B3OC(C)(C)C(C)(C)O3)c1)C2 2267370112 HDTSYEBCIGOFFJ-UHFFFAOYSA-N 464.393 2.227 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)Nc1nc(CNC(=O)OC(C)(C)C)cs1 2267457960 SVXILNATADUWNN-UHFFFAOYSA-N 463.369 2.453 30 10 JEEE Cc1c(C(=O)N(CCNC(=O)OC(C)(C)C)C(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2267495064 XKVLJCIXWWYTCV-UHFFFAOYSA-N 450.389 2.403 30 10 JEEE C[C@H]1C[C@@H](NS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CN1Cc1ccccc1 2267703920 DZKQNBSXYGGOSM-FXAWDEMLSA-N 457.405 2.322 30 10 JEEE COc1ccc(NC(=O)[C@H](CO)CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2268716153 MIZSYDZGLXMISY-AWEZNQCLSA-N 450.341 2.066 30 10 JEEE C[C@H](O)CN(CCNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1)C(=O)OC(C)(C)C 2281791372 OHBRKTPWUSWYKU-HNNXBMFYSA-N 466.359 2.473 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C[C@H]1C(F)(F)F 2281991670 DGRWHNNGKYPUIC-ZDUSSCGKSA-N 474.289 2.333 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCCN(C(=O)OC(C)(C)C)[C@@H](C)C1 2282002359 NFGKQSBBQGOUII-HNNXBMFYSA-N 462.400 2.499 30 10 JEEE C[C@@H]1C[C@H](NC(=O)C(F)(F)F)CN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2282042275 BOERFZSDGHXOLS-YPMHNXCESA-N 459.249 2.049 30 10 JEEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)Nc1ccc(CNC(=O)OC(C)(C)C)cc1 2282176272 RLIMJAXMIWSTOQ-UHFFFAOYSA-N 457.340 2.391 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)[C@H]2COC[C@H]21 2282186307 SGHHPDOBQGBMFJ-RBUKOAKNSA-N 458.364 2.446 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(NS(=O)(=O)Cc2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2282411042 ZWFMUPBPOZDQFB-SBUREZEXSA-N 478.420 2.415 30 10 JEEE C[C@H]1CN(C(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)C[C@H]1CCNC(=O)OC(C)(C)C 2282584058 BAXXJJKVISLEPY-JKSUJKDBSA-N 462.400 2.342 30 10 JEEE CC1(C)OB(c2c[nH]c(C(=O)N3CCC[C@H]4CC[C@@]43CNC(=O)C(F)(F)F)c2)OC1(C)C 2282636222 JWRJYCYDKKWZMF-RNODOKPDSA-N 455.286 2.377 30 10 JEEE CC(C)(C)OC(=O)NCC12CC(CN1S(=O)(=O)c1cncc(B3OC(C)(C)C(C)(C)O3)c1)C2 2282868071 IDTGJBTVLDKYFT-UHFFFAOYSA-N 479.408 2.059 30 10 JEEE C[C@@H]1CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2O)CC[C@H]1NC(=O)C(F)(F)F 2282882558 NNIONIQOANMPNL-IUODEOHRSA-N 456.270 2.221 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)[C@@H]2CC[C@H]21 2283056433 NSTQWFGEHSICPH-HRCADAONSA-N 458.368 2.294 30 10 JEEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)C(=O)[C@@H]1COC[C@H]1NC(=O)OC(C)(C)C 2284026916 GKNCYQRASBLNNA-RTBURBONSA-N 460.380 2.484 30 10 JEEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)CN1CC(CNC(=O)OC(C)(C)C)C1 2284063938 RFGLWWHKCAPTGU-UHFFFAOYSA-N 479.452 2.462 30 10 JEEE CC1(C)OB(c2ccsc2S(=O)(=O)N2CC(COCc3ccccc3)(C(=O)O)C2)OC1(C)C 2284401017 CVSBBQDOPDYSCM-UHFFFAOYSA-N 493.412 2.339 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N[C@H](COCc1ccccc1)CC(=O)O 2285197496 MEUYESALCYZGSY-IBGZPJMESA-N 454.332 2.479 30 10 JEEE Cn1nc(C(=O)N2C[C@@H]3C[C@]3(CNC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2288253383 WSJLYQBPMXXWKN-XMHCIUCPSA-N 480.802 2.360 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1O 2310452987 DIJOBNPFUFQMGN-GVDBMIGSSA-N 454.568 2.450 30 10 JEEE COC(=O)c1cccc2c1c(C=Nn1c(SCC(=O)NC3CCCC3)nnc(C)c1=O)cn2C 2321653598 VVDQIMUVEBQMCC-UHFFFAOYSA-N 482.566 2.258 30 10 JEEE COc1ccc(CCc2nnc(SCC(N)=O)n2N=Cc2ccccc2C(=O)O)cc1OC 2326183111 QIJFXMFMRVPBNX-UHFFFAOYSA-N 469.523 2.238 30 10 JEEE Cc1scc(C(=O)NCCC2(O)CN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2343513482 CXCHCJWIWULHSG-UHFFFAOYSA-N 466.409 2.457 30 10 JEEE Cn1cnc(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 2362355257 ZUVRNPDPIQFHMG-QXSJWSMHSA-N 460.384 2.141 30 10 JEEE COc1cc(/C=N/Nc2nnc(SCC(=O)N[C@@H](C)c3ccccc3)n2N)cc(OC)c1OC 20827296 RHAAHFQAKWKASR-HZZGJGATSA-N 485.570 2.433 30 10 JEEE O=C(CSc1n[nH]c(N/N=C/c2cccnc2)n1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 20832112 IUNLNULJRZQEGQ-LPYMAVHISA-N 486.583 2.161 30 10 JEEE COc1cc(/C=N/Nc2nc(SCC(=O)NCc3ccc(F)cc3)n[nH]2)c([N+](=O)[O-])cc1O 59040044 LGMAFDHWWQDXGT-LSFURLLWSA-N 475.462 2.421 30 10 JEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCc2cccc(OCC(F)F)c2)CC1 608837765 JVLLSOVWDYYNJO-UHFFFAOYSA-N 464.494 2.418 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)NCc3ccc(C(=O)N4CCCC4)cc3)cc2C1=O 853259852 UBQAFCKQFMFFCB-UHFFFAOYSA-N 475.501 2.178 30 10 JEEE C#CCn1ccc(CN(CCOC)C(=O)Nc2cccc(N3CCN(C(C)=O)C3=O)c2C)n1 1206096965 LSAYZYWOZHZTFW-UHFFFAOYSA-N 452.515 2.294 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCOC[C@@H]1OC 1286295451 IYIDLHGEKKJCJV-RDGPPVDQSA-N 463.579 2.096 30 10 JEEE C#CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(CC(N)=O)CC1 1286322073 CMSFRRIZDQMOLB-UHFFFAOYSA-N 450.591 2.347 30 10 JEEE C#CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1286338811 FPUJDURNXPOWHF-KRWDZBQOSA-N 461.588 2.141 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCc1n[nH]c(C)n1)[C@@H]1CCS(=O)(=O)C1 1286383674 DOUHMKMNHVBZQM-UYAOXDASSA-N 497.625 2.331 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC(=O)NCC1CC1 1286433964 AVRDSWQATRGVQX-IBGZPJMESA-N 454.575 2.339 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC1(C(N)=O)CCOCC1 1286459137 ANOQUKMAJMBCIM-QGZVFWFLSA-N 471.627 2.500 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCOc2ccc(Cl)cc2)CC1 1286492071 FZFGGCQAMIGNGS-UHFFFAOYSA-N 484.988 2.099 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1286781874 CWAAHCHSOOJUOH-GHMZBOCLSA-N 468.333 2.185 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCc3c(C)cccc3C2)nnc1[C@]1(OCC)CCOC1 1286825442 RBPVYABHIQDBPQ-QHCPKHFHSA-N 460.600 2.402 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2COCCO2)C1 1287058137 CWGNGHQCGRLXDN-MOPGFXCFSA-N 454.531 2.336 30 10 JEEE CC(C)[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1287152564 DWHUKVFPLGRAIA-SIKLNZKXSA-N 461.588 2.149 30 10 JEEE Cc1ccc(OCc2nnc(N3CCN(c4cc(C#N)ccn4)CC3)n2CC(=O)N(C)C)cc1C 1289823787 BPOAXTXGMDMCKF-UHFFFAOYSA-N 474.569 2.155 30 10 JEEE CC[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1)N1CCCC1 1292161668 GISYIUFBMNGLAL-QHCPKHFHSA-N 478.645 2.485 30 10 JEEE C#CCCCCn1c(N2C[C@H](C)[C@@H](N3CCN(C(C)=O)CC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1300375723 BKRFWWYHZZSLGV-RZPFDVGOSA-N 486.661 2.111 30 10 JEEE C#CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1300393851 HRNHSLNCCUAXGW-GOSISDBHSA-N 475.615 2.484 30 10 JEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCC(=O)N1CCCCC1 1300438640 QCLBGOKWIZRHJT-UHFFFAOYSA-N 457.604 2.019 30 10 JEEE C#CCN(c1nnc(C(C)C)n1CCc1ccc(OC)c(OC)c1OC)[C@H]1CCS(=O)(=O)C1 1300485435 WGWSJQOZFJZKJM-SFHVURJKSA-N 476.599 2.297 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CCCc1c[nH]nc1C)[C@@H]1CCS(=O)(=O)C1 1300498322 JDQAACCKLYXPAR-GOSISDBHSA-N 488.564 2.438 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1Cc1nccn1C(F)F)[C@@H]1CCS(=O)(=O)C1 1300504288 LFFUUXDFMWCSST-QGZVFWFLSA-N 490.536 2.432 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2ccccc2OC)n1C[C@@]1(N2CCOCC2)CCSC1 1300537511 BPMHOVCAHHJYQZ-VWLOTQADSA-N 465.623 2.158 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC(O)(Cc3nc(C)cs3)CC2)ccc1F 1300663131 VNDWQNBWYSKHRB-UHFFFAOYSA-N 453.561 2.265 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCNC(=O)[C@@H](C)CCC)CC1 1300685467 OOTYOUPXNAXGMH-INIZCTEOSA-N 476.423 2.343 30 10 JEEE C=C(Br)Cn1c(N2CCN(CCOCC)CC2)nnc1[C@]1(OC(C)C)CCOC1 1300862747 DIQDRWPNMJTTTC-FQEVSTJZSA-N 472.428 2.386 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1ccco1)N1CCCC1 1300916210 UTUZWRDPJMNBLM-PZJWPPBQSA-N 492.646 2.444 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C 1301424830 OVGRZVPMXPTLKP-OTWHNJEPSA-N 497.662 2.465 30 10 JEEE C=CCOc1ccc(Cn2c(CC)nnc2N2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)cc1 1301525899 KKPSXABDUZDBGU-UHFFFAOYSA-N 485.614 2.006 30 10 JEEE CCN(CC)S(=O)(=O)N1CCN(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)CC1 1310833616 BTHJRASIGYUYNW-UHFFFAOYSA-N 458.544 2.482 30 10 JEEE CCN(CC)[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1)c1ccsc1 1313663543 FRNQBUXPUNCXPC-XAUMDUMWSA-N 483.639 2.475 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCN(C)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1358964185 VDNQFQHJRXAZAQ-RTBURBONSA-N 495.646 2.056 30 10 JEEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1C[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1358966074 HMYGYQIRVLCSGD-PMACEKPBSA-N 458.584 2.137 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccccc2OCC)n1C[C@@H]1CCCCS1(=O)=O 1358982571 BOUFCNBFYPYZAR-IBGZPJMESA-N 456.568 2.296 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2oc(CCC)nc2C)CC1 1359029601 BTFMYZGGAOYWRV-DEOSSOPVSA-N 456.591 2.371 30 10 JEEE C=C(C)Cn1c(N2CCN([C@@H](C)C(=O)NC3CC3)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1359125111 PQZRNLZWHWCOLB-CMKODMSKSA-N 487.649 2.414 30 10 JEEE C=C(C)COCCn1c(-c2cccnc2)nnc1N1CCN(c2nccc(OCC)n2)CC1 1359130218 BVPHQEOFPBNXEF-UHFFFAOYSA-N 450.547 2.448 30 10 JEEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1359284298 FTMTXKNTSWGOEH-UHFFFAOYSA-N 476.603 2.296 30 10 JEEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1359303432 OFBUNRBMKQQRIE-NRFANRHFSA-N 460.586 2.261 30 10 JEEE C=CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@@H](CNC(C)=O)C1 1359343767 ARGVSOXZJVSLRE-INIZCTEOSA-N 451.543 2.408 30 10 JEEE C=CCS(=O)(=O)CCNC(=O)c1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1O 1446633703 QDGCGJHPCUFWBT-UHFFFAOYSA-N 458.945 2.177 30 10 JEEE CN1CC[C@@](O)(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(NC(=O)OC(C)(C)C)CC2)C1 1503677559 GZSNYKLZEVYEQL-VWLOTQADSA-N 481.601 2.377 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CCCN2C[C@@H](C)O[C@H](C)C2)c1 1507549390 GOXDEMFASIGZFQ-WOJBJXKFSA-N 490.612 2.234 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2C[C@H]2CN(CC(C)C)CCO2)c1 1507551223 VQJMYHWEOPPGJS-JTHBVZDNSA-N 480.613 2.195 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@@H]1OCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1507627115 IRMLOOLOHMZFNJ-QUCCMNQESA-N 458.584 2.396 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1CCC(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 1507628217 VVPQEVXWFGQFQG-QGZVFWFLSA-N 495.552 2.088 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1CCn1cc([C@H]2CCOC2)cn1 1507646709 XPHXNJFTZQTKCY-FQEVSTJZSA-N 460.538 2.436 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(OC)nc1 1507652873 KBRGYNFEOWMANJ-LJQANCHMSA-N 466.542 2.111 30 10 JEEE C#CCN(CC#CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCNC(=O)c1cc[nH]n1 1507669347 KTLYMVQLSWZXEY-UHFFFAOYSA-N 494.600 2.009 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1508075435 WBTPGFVGYDSUFD-CQSZACIVSA-N 473.379 2.140 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1508076546 GMQGTALMCKLZPM-UHFFFAOYSA-N 451.575 2.148 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 1508084032 FRQPKMUUWTWNEQ-LJQANCHMSA-N 492.628 2.198 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[C@H](N2CCCC2=O)C1 1508132316 WXQXMUJQKAZUDH-MSOLQXFVSA-N 491.589 2.359 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](NC(=O)CCC)C1 1508140521 IROOJXJQFXAEMP-ZWKOTPCHSA-N 453.609 2.006 30 10 JEEE Cc1nc2ccccc2n1CCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@H](C)CC#N 1511575360 CYEAOHAZPBJIBE-HZPDHXFCSA-N 458.592 2.375 30 10 JEEE COCC[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CC(=O)N(CCOC)C2)C1 1519000473 DQGYTAKMCTZSIP-PMACEKPBSA-N 452.559 2.174 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@H](C)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1539201512 AHMJDJDXYFSXDN-CVEARBPZSA-N 453.609 2.116 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCCOC1CCCC1)[C@@H]1CCS(=O)(=O)C1 1539220537 KJVHSPRGPMZABJ-QUCCMNQESA-N 450.605 2.496 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2CCCNC(=O)C2CCC2)CC1 1539482578 NDRILZCJGUOVIP-UHFFFAOYSA-N 480.588 2.280 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)CC(C)(C)CN1CCOCC1 1539613089 ULJXXVROQRSETI-WOJBJXKFSA-N 462.639 2.192 30 10 JEEE C=CCCOCCn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1540029148 NESLNUDKSWTVHP-LJQANCHMSA-N 479.603 2.070 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc(CN2CCCC2=O)n1CC1(S(C)(=O)=O)CC1 1540140441 WCGSAYAXDSKCJX-UHFFFAOYSA-N 461.563 2.309 30 10 JEEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)Cc1ccco1 1540864155 QZEKJTJBBZOXIC-UHFFFAOYSA-N 457.560 2.078 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(CC)C1CCCC1 1540865054 UFSCVMZRIQOZFG-UHFFFAOYSA-N 460.604 2.267 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1540867490 XUXPPHLXMCCIBW-GOSISDBHSA-N 491.614 2.058 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CCN(C)C(=O)OC(C)(C)C)CC1 1540869113 BXSBRNWAUSCLDA-SFHVURJKSA-N 489.621 2.005 30 10 JEEE C[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1)N(C)C 1541866060 BZMCELGDGWFWIS-UUOWRZLLSA-N 464.574 2.164 30 10 JEEE COc1ccc(C(=O)N2CCN(c3ccc(C#N)c(C(F)(F)F)c3)C[C@H]2C(=O)N(C)C)cn1 1548375538 POBXFXZLTBJDDK-SFHVURJKSA-N 461.444 2.400 30 10 JEEE CS[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1555845220 HGBAEHFGZKPDJV-ZWKOTPCHSA-N 483.642 2.269 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1CC1(O)CCS(=O)(=O)CC1 1587585917 HOXRXVBZXJZKTI-GFCCVEGCSA-N 473.418 2.167 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCCCS(C)(=O)=O 1587638310 CVEABYJBEZOAKM-MSOLQXFVSA-N 483.635 2.259 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCN(C)CCCC)[C@H]1CCS(=O)(=O)C1 1588040516 NXSHPIUVKGXALE-SFHVURJKSA-N 465.023 2.352 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H](C)c1nccs1)[C@@H]1CCS(=O)(=O)C1 1588065333 WXIRVTDCPCRULT-SJLPKXTDSA-N 456.597 2.151 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1CC1(O)CCCCC1)[C@H]1CCS(=O)(=O)C1 1588069855 UHGCGXIZJPPMCR-NRFANRHFSA-N 456.612 2.385 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C)N2CCC[C@H](C)C2)CC1 1588884715 KYWKDXGZEYJZEA-VQTJNVASSA-N 492.628 2.012 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H](c2ccsc2)N(C)C)CC1 1588968332 IMNOUGOKPAXPIV-VQTJNVASSA-N 456.616 2.460 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1589394424 FMAYXJBFEGIDJR-ZDUSSCGKSA-N 455.357 2.195 30 10 JEEE C=CC1CCN(c2nnc(C(=O)NC(C)C)n2CCNS(=O)(=O)c2ccc(C)s2)CC1 1594168437 NGQZHGJTLOVJNL-UHFFFAOYSA-N 466.633 2.167 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC(O)(Cc2cccc(C)c2)CC1 1595562262 RSHDKTIRXCFPIT-UHFFFAOYSA-N 460.582 2.449 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC(=O)N(C)C[C@H]1C 1595576988 FHPNMBDOGZLOEF-CYBMUJFWSA-N 467.357 2.133 30 10 JEEE C#CC1CCN(C(=O)c2cc(Br)cc(S(=O)(=O)N3CCOCC3)c2F)CC1 1630856427 JGARQHJHZWDHFV-UHFFFAOYSA-N 459.337 2.095 30 10 JEEE C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@H](c3cccc(C(F)(F)F)c3)OC(C)(C)C2)C1=O 1636701046 WNXBTRVXSJEZED-OAHLLOKOSA-N 453.417 2.361 30 10 JEEE C#CC[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)NC[C@@H]3CCCO3)ccc2Br)C1 1642245252 BWGCHVNPIBEWCP-CABCVRRESA-N 455.374 2.392 30 10 JEEE C#CC[C@H]1CCN(C(=O)c2cc(S(=O)(=O)NC[C@H]3CCCO3)ccc2Br)C1 1642245255 BWGCHVNPIBEWCP-LSDHHAIUSA-N 455.374 2.392 30 10 JEEE C[C@H](NC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)[C@@H]1CN(Cc2ccccc2)CCO1 1679559560 CRRSJCCBRANOMW-WJMWBRGCSA-N 457.575 2.334 30 10 JEEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2CCC[C@H]2c2ccccc2C(F)(F)F)CC1 1685724685 YFQNRKBDEQAWTN-FUHWJXTLSA-N 458.506 2.136 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCCc1cccc(C)n1)[C@H]1CCS(=O)(=O)C1 1689989710 IACPNLUIZBLLEA-SFTDATJTSA-N 457.600 2.483 30 10 JEEE C#CCN(c1nnc(COCC)n1C[C@H](OC)c1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 1689995788 ACUIBNJZDNUVNE-MOPGFXCFSA-N 466.991 2.482 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H]2CCC=CO2)CC1 1690124085 FANXFSDVZCPEJF-WOJBJXKFSA-N 472.590 2.034 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1690216614 QZUMCXNCQNSVDJ-SHNDDRJUSA-N 469.561 2.478 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1690417477 TWHCFCCBHIALOE-FDDCHVKYSA-N 495.646 2.302 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1690661615 AWHOPODJMINLGK-UHFFFAOYSA-N 481.022 2.151 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 1690669082 SXUIQDPGMOPTMC-OAHLLOKOSA-N 463.468 2.038 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(COc3cccc(C)c3)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1690711881 JVHDSHMNOMLQFP-TZIWHRDSSA-N 475.615 2.371 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)CC(=O)N1CCOCC1 1690717956 WLGWVAOXSVAGEN-UHFFFAOYSA-N 489.642 2.138 30 10 JEEE CCN(CC)C(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)N2CCOCC2)CC1 1695601873 GXRLVETYXHLCOK-HXUWFJFHSA-N 480.617 2.121 30 10 JEEE COCCN(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1698032565 BEUJCFPZTHXHSY-NLFFAJNJSA-N 484.601 2.081 30 10 JEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N(C)CCCC)CC1 1705516942 LPCBSAJXYOLGMK-HXUWFJFHSA-N 463.648 2.459 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@](C)(O)CCC)[C@@H]1CCS(=O)(=O)C1 1705559739 FGOKPECBKXRDCQ-YKSBVNFPSA-N 487.626 2.325 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCN1CCCO[C@H](C)C1 1705591058 DSQMJWLJAJPFAC-OAQYLSRUSA-N 483.638 2.312 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)cc1O[C@@H]1CCOC1 1705598146 CFDYXWHGHNTVQW-FGZHOGPDSA-N 482.606 2.168 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1cccc(N2CCOCC2)n1 1705606957 LZDHIJDJTOOOJA-UHFFFAOYSA-N 480.594 2.088 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Br)s3)n2CC(=O)NCCC)CC1 1705647086 ZXMILOFTYFBCMT-UHFFFAOYSA-N 493.431 2.261 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)cn2C)n1CCOCCS(C)(=O)=O 1705669093 BYEUPIIDMNKDAC-LJQANCHMSA-N 484.420 2.099 30 10 JEEE C=C(C)COCCn1c(CCc2ccccc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1705737812 BYJRQLNNLXYPIP-UHFFFAOYSA-N 452.559 2.177 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1)C(C)C 1705869567 YNOQSSMGUWWGNH-PCCBWWKXSA-N 457.623 2.037 30 10 JEEE C=CCOc1ccccc1Cn1c(N2CCN(C(=O)C(=O)NC(C)C)CC2)nnc1C(C)(C)C 1705915554 VRBXFUXVNIDFJO-UHFFFAOYSA-N 468.602 2.362 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ccc(C)cc2C)C1 1705924482 DDJCBFBJRKUFAO-FGZHOGPDSA-N 489.642 2.252 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1C[C@@H](C)S[C@H](C)C1 1705936900 APPSEPHOWYPDOY-IAGOWNOFSA-N 460.629 2.448 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CCCCS1(=O)=O 1706159092 ATHSSMQWDIRMBM-KURKYZTESA-N 494.618 2.046 30 10 JEEE Cc1ccc(-c2nnc(N3CCN(Cc4ccc(C#N)cc4)CC3)n2CCCS(C)(=O)=O)o1 1707380630 GJHFWSWCXNWPAO-UHFFFAOYSA-N 468.583 2.475 30 10 JEEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)N2C[C@@H](C)O[C@H](C)C2)C[C@H]1OC 1712684719 FHEIZNFRDFEIHG-NNLJWKLDSA-N 498.628 2.467 30 10 JEEE N#Cc1ccc(OCc2nnc(N3CCNC(=O)CC3)n2Cc2cccnc2OCC(F)F)cc1 1712880350 GDLDBGXCYRBWFP-UHFFFAOYSA-N 483.479 2.142 30 10 JEEE C#CCCCn1c(COc2ccc(OC)cc2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1722340347 VDLULYLINNRWCC-OAQYLSRUSA-N 452.603 2.495 30 10 JEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCc1ccc(SC)cc1)[C@@H]1CCS(=O)(=O)C1 1722358449 HSJBHLKZQAQZPX-LJQANCHMSA-N 487.651 2.105 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 1722413944 SXUVLMCTINQGDR-ZWKOTPCHSA-N 465.620 2.287 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2CCCN2CCCCC2=O)CC1 1722449694 OIHPPKVZHRXOFS-UHFFFAOYSA-N 476.625 2.432 30 10 JEEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1722463333 YGLXYOFMQYIORM-LJQANCHMSA-N 457.629 2.411 30 10 JEEE C#CCSCCn1c(N2CCCN(CC(F)(F)F)CC2)nnc1[C@@]1(OCC)CCOC1 1722464200 XNEIJTBBDCDVOK-LJQANCHMSA-N 461.554 2.371 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2csc(N3CCOCC3)n2)n1CCSCCCO 1722470820 WQZCLHCKEPAZPY-OAQYLSRUSA-N 462.645 2.346 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1722500415 MBOFBVWYJYDLDA-GGAORHGYSA-N 489.642 2.448 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccccc2F)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1722500927 NMHIYVMOPHEWAL-SPEDKVCISA-N 493.605 2.448 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(F)cc2Br)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1722695799 QMQDATOEQBJMOQ-DLBZAZTESA-N 491.365 2.396 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H](c2ccccc2OC)C1 1722702033 CTVUMVYVAJEIKN-FGSXEWAUSA-N 455.559 2.307 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Br)c2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1722724262 RNBMUHRVJFLLDA-JKSUJKDBSA-N 497.371 2.423 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN(c2cccc(OC)c2)CC1 1722725773 RLJOSEYSYCNNOF-UHFFFAOYSA-N 468.583 2.276 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N2CCOCC2)C1 1722990811 BSOZRGOGSYRTSY-IBGZPJMESA-N 495.584 2.027 30 10 JEEE C[C@H](CN1CCOCC1)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1723878377 GUCNLKGPIUGHFM-YLJYHZDGSA-N 494.518 2.465 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC1(S(C)(=O)=O)CCC1 1727208254 CRYJXEBHRXACED-FQEVSTJZSA-N 450.609 2.294 30 10 JEEE CCN1CCN([C@@H](C)Cn2c(-c3ccc4c(c3)OCCO4)nnc2N(C)C[C@@H](C)C#N)CC1 1728602963 HGOBANLYBXZSFV-OALUTQOASA-N 453.591 2.338 30 10 JEEE Cn1cnnc1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@](C)(C#N)C1 1729591368 FJYZKKUPWFWNLY-OAQYLSRUSA-N 453.938 2.168 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2ccccc2F)n1CCCn1cccn1)[C@H]1CCS(=O)(=O)C1 1740616492 BTCWBBICPREDBP-MOPGFXCFSA-N 486.573 2.471 30 10 JEEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1C[C@@H]1CC=CCO1)[C@H]1CCS(=O)(=O)C1 1740627995 MEKJDWIHSVAOLJ-ICSRJNTNSA-N 476.986 2.482 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(C[S@](C)=O)cc1 1740646632 GPJCZLZKZCKROY-QNLPTKCRSA-N 454.596 2.320 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccccn2)n1CCCN1CCN(c2ccncc2)CC1 1740652090 RAAGUWDUJCRDSB-UHFFFAOYSA-N 454.582 2.410 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1C[C@H]1CC[C@]2(CCOC2)O1 1740680793 NVHAPKYVYXZMMG-DYESRHJHSA-N 478.391 2.470 30 10 JEEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2Cc2ccccc2OCCN(C)C)CC1 1740698567 XMGIPWQZHSPSMF-UHFFFAOYSA-N 479.654 2.378 30 10 JEEE CCn1cccc(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCC(C#N)CC2)c1=O 1746363448 CMRBKZZAAAAOEL-UHFFFAOYSA-N 466.567 2.318 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cc(F)ccc1N1CCOCC1 1748638183 KJUXJSMDUVOTAF-QGZVFWFLSA-N 463.517 2.407 30 10 JEEE C#CCCCn1c(COc2ccccc2F)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1748760951 JPFXDMVLADWXLR-UHFFFAOYSA-N 496.587 2.350 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1748803973 BOBOLMGGLREZMU-QGZVFWFLSA-N 496.431 2.479 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CC1([S@](C)=O)CCC1)[C@@H]1CCS(=O)(=O)C1 1748809492 UKJRSEORAKDRPR-QJWGWKRISA-N 474.652 2.435 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@@H]1CCCN1CC)[C@H]1CCS(=O)(=O)C1 1748818649 CXXZIXGEFJDJKL-PMACEKPBSA-N 459.591 2.119 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OC)n2Cc2nnc(C)s2)CC1 1749019542 YRXSNSYVMDIXNL-UHFFFAOYSA-N 481.582 2.040 30 10 JEEE C=C(C)Cn1c(N2CCN([C@@H](C)C(=O)NC3CCCC3)CC2)nnc1[C@]1(OCC)CCOC1 1749207033 ARVIISIGZPFHFS-CYFREDJKSA-N 460.623 2.076 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ccc(OC)c(OC)c2)CC1 1749302963 BYMJFBINNXLYBG-NRFANRHFSA-N 491.614 2.027 30 10 JEEE C=CCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1749352821 XHYMCKGPPDNCER-KRWDZBQOSA-N 454.641 2.126 30 10 JEEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1749408248 HCVKYAGCXHTTAL-CTNGQTDRSA-N 480.617 2.271 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCCN(C(=O)C2CC2)CC1 1749655347 IQSQFINDBFEHNC-UHFFFAOYSA-N 474.512 2.297 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)N2CCC(OC)CC2)C1 1749689000 CGWZRJQDZPBSQO-HXUWFJFHSA-N 460.623 2.185 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1749725726 XKCGOOHCLQWJTR-JOCHJYFZSA-N 495.609 2.136 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCN(C(=O)c2ccco2)CC1 1749729437 JMZYLCSKLYDVER-UHFFFAOYSA-N 469.567 2.410 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCCN(C(=O)CC2CCCC2)CC1 1749730408 CICJHXQWZNQHMC-UHFFFAOYSA-N 474.631 2.493 30 10 JEEE CC(=O)N1CCC[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@H](C)[C@@H](O)C2)C1 1749826770 LQONCFBPOYOUSP-AGHHOFFYSA-N 452.559 2.194 30 10 JEEE Cc1nccnc1CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](CC(N)=O)C1 1751814273 CGFXHLYVVWHHBD-LJQANCHMSA-N 460.542 2.162 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CC1(S(C)(=O)=O)CCCC1 1760115018 XLVZDFHJKFKBBY-OAHLLOKOSA-N 454.556 2.409 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CCC(=O)N[C@@H](C)CC)c1 1760125738 LBLGCGZGVQNOAG-KRWDZBQOSA-N 462.558 2.040 30 10 JEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2nnc(C(C)C)o2)C1 1760138367 XEWWTPJDLZVNAT-DLBZAZTESA-N 462.576 2.068 30 10 JEEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 1760144339 MHBBIVGXCGDADT-UHFFFAOYSA-N 493.593 2.240 30 10 JEEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(OCCOC)CC1 1760152619 RYGDSPQPUHKRID-UHFFFAOYSA-N 450.543 2.237 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CC1CCC(F)(F)CC1)[C@H]1CCS(=O)(=O)C1 1760183449 QIDGCLLLIHZVMN-KRWDZBQOSA-N 492.552 2.378 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCOC2)n1CCCn1cc(CO)nn1 1760242152 VDARSUUFPIHOCA-IBGZPJMESA-N 453.522 2.125 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(F)ccc2Br)n1CCCn1cnnn1 1760244915 LIZJQSUZXMZJON-UHFFFAOYSA-N 463.315 2.010 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2C[C@H]2CCCN2C(=O)OC(C)(C)C)n1 1760251715 FCFOVXAYTZAALY-HXUWFJFHSA-N 457.579 2.469 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H](c2cccc(OC)c2)N(C)C)CC1 1760256734 JPXWGHHLZMXVSS-RPLLCQBOSA-N 496.656 2.385 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2ccccc2C(F)(F)F)CC1 1760268963 SOPOIZYXEFWKCV-LJQANCHMSA-N 488.514 2.457 30 10 JEEE C=C(Br)Cn1c(-c2cc(Br)cn2C)nnc1N(C)CCS(C)(=O)=O 1760302063 ROVXHDCVMZGKKH-UHFFFAOYSA-N 481.214 2.436 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CCOc2ccccc2)CC1 1760306620 GVXSUGFDADWQNQ-SFHVURJKSA-N 475.391 2.339 30 10 JEEE C=C(Cn1c(Cc2csc(C)n2)nnc1N1CCN(S(C)(=O)=O)CC1)c1ccccc1 1760364440 PYBQVYUFWJOWLR-UHFFFAOYSA-N 458.613 2.429 30 10 JEEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1760516594 RDHRERUPMJEGMY-HUVFLSCGSA-N 493.656 2.111 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1760551668 OCIVFCZWMYQCHS-LJQANCHMSA-N 460.991 2.376 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCN(c2nc(CC)ns2)CC1 1760552901 FLNLNAJIYPHRBU-UHFFFAOYSA-N 473.628 2.286 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@H](C)[C@@H]1C 1760553624 GAKYZDJFRNPLHV-CVEARBPZSA-N 456.572 2.028 30 10 JEEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCCN(c2nc(C)ns2)CC1 1760560114 YFJKNGJTKWDELX-UHFFFAOYSA-N 462.649 2.310 30 10 JEEE CC[C@H](C)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1)OC 1763442014 CJFRJKOYDPJEGI-UWJYYQICSA-N 462.558 2.465 30 10 JEEE COC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C2CC2)N(C)C)CC1 1767916385 FVDDOLNCSRKESF-OAQYLSRUSA-N 452.559 2.458 30 10 JEEE COCC1(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CC[C@@](F)(C#N)C2)CCOCC1 1769325563 HFQWYRYNCVAXKL-JOCHJYFZSA-N 477.562 2.234 30 10 JEEE CC(C)C[C@H](NC(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2cccc(C#N)c2)cc1)C(=O)O 1858977529 OPJHDNSVWXIBSY-FQEVSTJZSA-N 486.550 2.018 30 10 JEEE COc1ccc(OC)c(C2=C(Nc3ccc(C#N)cc3)C(=O)N(CCN3CCOCC3)C2=O)c1 1863375267 JZGASVSJMLXWNM-UHFFFAOYSA-N 462.506 2.100 30 10 JEEE COc1ccc(NC(=O)[C@H](CO)NC(=O)C2CCN([C@H](C#N)c3cccs3)CC2)c(C)c1 1866867212 NOLZXDJMSVCLGW-VQTJNVASSA-N 456.568 2.458 30 10 JEEE COCCc1nc(Nc2ccc(C#N)cc2)cc(N2CCc3ccc(S(N)(=O)=O)cc3C2)n1 1868267926 VZDZIKUCXLLNSB-UHFFFAOYSA-N 464.551 2.491 30 10 JEEE Cc1ccccc1Cn1nnc(C#N)c1NC(=O)CCCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 1870110797 JAHCYVJYIOEHJR-UHFFFAOYSA-N 473.449 2.430 30 10 JEEE C=CCn1cc(OCC(=O)NCCc2ccccc2)c(=O)cc1CN1CCC2(CC1)OCCO2 1870519465 STNBFNFMRQNLEF-UHFFFAOYSA-N 467.566 2.111 30 10 JEEE C#CCOc1cn(CCN2C(=O)CSC2=O)c(CNc2cc(OC)c(OC)c(OC)c2)cc1=O 1871009487 YIBUZFWRHKDOIA-UHFFFAOYSA-N 487.534 2.194 30 10 JEEE C=CCn1c(C(=O)Nc2ccc([S@](=N)(=O)O)cc2)cc2c(NCCOCCO)ncnc21 1873631551 AAMRHGAKYAEEQL-UHFFFAOYSA-N 460.516 2.169 30 10 JEEE COc1ccc(/C=N/n2c(Cc3ccc(OC)c(OC)c3)nnc2SCC(N)=O)cc1O 1874238269 ZMTUDKBTNKDVCJ-FOKLQQMPSA-N 457.512 2.060 30 10 JEEE CCN1CCN(CC#CCOC2CCN(S(=O)(=O)c3ccc(OC)c(Cl)c3)CC2)CC1 1889728995 RRTWHCWOVKWZLF-UHFFFAOYSA-N 470.035 2.159 30 10 JEEE N#Cc1ccnc(O[C@H]2CCN(C(=O)C3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)C2)c1 1890039472 QIIQEVDYULJGLF-IBGZPJMESA-N 458.515 2.173 30 10 JEEE CC(C)N1C(=O)CS[C@H](C(=O)N2CC[C@@H](Oc3cccnn3)C2)[C@@H]1c1ccc(C#N)cc1 1891255382 PCDRPMCSROUHQA-COPCDDAFSA-N 451.552 2.422 30 10 JEEE N#Cc1ncccc1OC1CN(C(=O)c2ccc(CNS(=O)(=O)c3ccccc3F)cc2)C1 1891830026 MNMREIQMWAHWAN-UHFFFAOYSA-N 466.494 2.474 30 10 JEEE CC1(C)OB(C2=CCC[C@H]2NS(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)OC1(C)C 1991332873 RXZVAPCUUCPBOF-GOSISDBHSA-N 460.361 2.312 30 10 JEEE C#CCC1(C(=O)Nc2c(I)ncnc2I)CC1 2008293534 OOSYVGGFSNELQT-UHFFFAOYSA-N 453.021 2.428 30 10 JEEE C#CCN(C(=O)[C@]1(NC(=O)OC(C)(C)C)C[C@@H](O)C1)C1CCN(C(=O)OC(C)(C)C)CC1 2073259439 RHRBPMQVSNDQHU-LBEPJEHYSA-N 451.564 2.266 30 10 JEEE C#CCN(C(=O)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1)C1CCN(C(=O)OC(C)(C)C)CC1 2076777836 HDDGMDMDHHMKOK-QHCPKHFHSA-N 451.564 2.220 30 10 JEEE COC[C@]1(C(=O)NC2CC(B3OC(C)(C)C(C)(C)O3)C2)CN(C(=O)OC(C)(C)C)CCO1 2124538695 MJIVCELDXCEVJO-LGHDPPOTSA-N 454.373 2.380 30 10 JEEE C=C[C@]1(CO)COCCN1C(=O)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2135108527 ONKYJPDVVFEBDF-DEOSSOPVSA-N 459.587 2.322 30 10 JEEE CC(C)(C)OC(=O)N1CCC(O)(C(=O)NCc2cccc(B3OC(C)(C)C(C)(C)O3)c2)CC1 2183289224 MKOMUKMACNECIH-UHFFFAOYSA-N 460.380 2.364 30 10 JEEE C[C@@H](CNC(=O)OC(C)(C)C)CNC(=O)c1nn(C)c(Cl)c1B1OC(C)(C)C(C)(C)O1 2255652994 CFWZSBWKSXBNCC-GFCCVEGCSA-N 456.780 2.263 30 10 JEEE C=CCN(CC(=C)Br)S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2258158492 MJHTXPJSQWPOEL-MRXNPFEDSA-N 475.361 2.181 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@H](NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)cs3)[C@H]2C1 2267138345 UKJBQZNHAZKSSA-PMPSAXMXSA-N 464.393 2.411 30 10 JEEE CC(C)(C)OC(=O)NCC[S@](C)(=O)=NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2267177184 KLKSDGHNVBZSGB-YTTGMZPUSA-N 471.360 2.283 30 10 JEEE COC[C@@](C)(NC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2268655643 OEUZJPRSEAHCQY-OAQYLSRUSA-N 453.320 2.388 30 10 JEEE C[C@H](NC(=O)C1(O)CC(NC(=O)OC(C)(C)C)C1)c1nscc1B1OC(C)(C)C(C)(C)O1 2268786412 OTGXSINKIDJDKY-HMHBEAHTSA-N 467.397 2.038 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H](NC(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)CC[C@H]2C1 2281924261 PSMUCFCUZSGLED-ARFHVFGLSA-N 460.384 2.474 30 10 JEEE Cn1cc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)CC2(F)F)c(B2OC(C)(C)C(C)(C)O2)n1 2281975213 JQJPZYLVOSNTRT-AWEZNQCLSA-N 470.326 2.094 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC23CC3)n1 2282004759 LPMAVJWSCUHFQN-INIZCTEOSA-N 460.384 2.332 30 10 JEEE CCn1cc(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C)nc1B1OC(C)(C)C(C)(C)O1 2282033467 UNFZYSFMNGBFLY-JKSUJKDBSA-N 462.400 2.435 30 10 JEEE Cn1nc(C(=O)NC[C@@]23C[C@@H]2CN(C(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2282045095 YKQRFCUXIABDIP-MCMMXHMISA-N 480.802 2.360 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CCC[C@H](CNC(=O)C(F)(F)F)C1 2282125981 DTLMGJBUQUGCML-CQSZACIVSA-N 457.302 2.338 30 10 JEEE COc1ccc(S(=O)(=O)N[C@@H]2CC[C@H]2NC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2282505009 XKTKJEWOTACWMP-IAGOWNOFSA-N 482.408 2.328 30 10 JEEE COC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1nc(C)sc1B1OC(C)(C)C(C)(C)O1 2282509695 NTNUHIGJRXFCFZ-OAHLLOKOSA-N 481.424 2.459 30 10 JEEE CC1(C)OB(c2csnc2C(=O)N2C[C@@H](CNC(=O)C(F)(F)F)C3(CCC3)C2)OC1(C)C 2282525679 LXJDEGMVXAVDIG-GFCCVEGCSA-N 473.326 2.363 30 10 JEEE CCn1cc(C(=O)N2C[C@H](CNC(=O)OC(C)(C)C)[C@@H](C)C2)nc1B1OC(C)(C)C(C)(C)O1 2282541357 WVOQTTQYORHYEV-HOTGVXAUSA-N 462.400 2.435 30 10 JEEE Cn1cc(C(=O)NC[C@]2(F)CCCN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2282577011 ZBZAOXDWTZOHMD-JOCHJYFZSA-N 466.363 2.188 30 10 JEEE Cc1cc(C(=O)NC[C@H]2CN(C)CCN2C(=O)OC(C)(C)C)oc1B1OC(C)(C)C(C)(C)O1 2282593226 NMVRPEMKMXXUOA-INIZCTEOSA-N 463.384 2.168 30 10 JEEE C[C@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1)C1(O)CCN(C(=O)OC(C)(C)C)CC1 2282596060 CGGXAAGGEOABGJ-AWEZNQCLSA-N 481.424 2.323 30 10 JEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2CCCCCN2C(=O)OC(C)(C)C)n1 2282616405 AUVDZJJEPLXRTE-OAHLLOKOSA-N 463.388 2.024 30 10 JEEE CN1CCN(C(=O)OC(C)(C)C)[C@H](CNC(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2282651866 GVXRCQNQTHOTBG-QGZVFWFLSA-N 459.396 2.267 30 10 JEEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCN(Cc2ccccc2)C2(CC2)C1 2282696154 ZDCMBPLRPKFGTE-SFHVURJKSA-N 451.380 2.041 30 10 JEEE CC1(C)OB(c2cncc(S(=O)(=O)N3C[C@H]4C[C@@H](C3)N(Cc3ccccc3)C4)c2)OC1(C)C 2282826366 QSJNZPPCPPPZOS-FPOVZHCZSA-N 469.416 2.276 30 10 JEEE CCC1(CNS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CN(C(=O)OC(C)(C)C)C1 2282868045 HVNJWZAHCAAISX-UHFFFAOYSA-N 481.424 2.306 30 10 JEEE COC[C@@]1(C(=O)N2CCC(=CB3OC(C)(C)C(C)(C)O3)C2)CN(C(=O)OC(C)(C)C)CCO1 2283960155 VEAQFRBACCGBNG-HSZRJFAPSA-N 466.384 2.429 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1)[C@@H](O)C(C)(C)C 2284051401 NMDUDHPRBDDIBI-HZPDHXFCSA-N 483.440 2.359 30 10 JEEE CC(C)(C)OC(=O)NC1(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)CC2(CC(F)C2)C1 2289278185 ZNRIWOJGLIJRFN-UHFFFAOYSA-N 482.387 2.373 30 10 JEEE C#C[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=NOCC(=O)N[C@H](CO)C(=O)O)CC[C@]4(C)[C@H]3CC[C@@]21C 2297639338 LFHYHJHRXQUQHI-XTTUVGGNSA-N 472.582 2.248 30 10 JEEE CCCCCN1C(=O)C(=Cc2c(C)c(C#N)c(=O)n(C)c2N2CCN(CCO)CC2)SC1=S 2314435821 QYUQJXGNGJTOKG-UHFFFAOYSA-N 489.667 2.071 30 10 JEEE CCN(CCN(CC)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C)C(=O)OC(C)(C)C 2337206366 MIAAKLHUPQLOCZ-UHFFFAOYSA-N 450.389 2.438 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@]12CO[C@H](C1)[C@H](NC(=O)OC(C)(C)C)C2 2359266111 DGFFYLRUXPQNJH-SOHPYSCWSA-N 479.408 2.305 30 10 JEEE Cn1cc(C(=O)NC[C@@H]2C[C@@H]3CC[C@H]2N3C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2359268350 IXSVMYASSPPWRV-YQQAZPJKSA-N 460.384 2.237 30 10 JEEE Cc1c(C(=O)N2C[C@@H]3CC[C@H]2[C@@H]3NC(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2359277522 XNPWFAOESYMEGG-YQQAZPJKSA-N 460.384 2.155 30 10 JEEE Cn1ncc(C(=O)N2CC(F)(F)[C@@](C)(NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2361916513 SIZTYQLLFHSZPI-FQEVSTJZSA-N 470.326 2.094 30 10 JEEE C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)C1 2362356971 KLCUSSZZTNUTCW-CVEARBPZSA-N 462.400 2.485 30 10 JEEE N#Cc1ccccc1S(=O)(=O)N1CCN(Cc2nnc(-c3ccc(Br)o3)o2)CC1 15445381 NVOYYCAZUJLHEA-UHFFFAOYSA-N 478.328 2.470 30 10 JEEE O=C(NCC#CCOc1cccc(Br)c1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 90731236 SXWIGSKLZIANJO-UHFFFAOYSA-N 493.379 2.282 30 10 JEEE O=C1C(=O)N(CCN2CCOCC2)[C@H](c2ccc([N+](=O)[O-])cc2)/C1=C(/O)c1ccc(F)cc1 102500110 MBBBKEDCRNFLEG-GOBJLOIFSA-N 455.442 2.488 30 10 JEEE COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2C)c(=O)n1Cc1ccccc1 523466810 UTYMKYZIYBIPOU-QGZVFWFLSA-N 465.550 2.060 30 10 JEEE COc1ccc(COCCCNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 608984654 NZMFPGJWDDALRV-UHFFFAOYSA-N 472.567 2.190 30 10 JEEE O=C(O)C#CCNC(=O)Nc1cc(I)cc(I)c1 717473127 YXQQSXXYPABFGN-UHFFFAOYSA-N 470.004 2.105 30 10 JEEE N#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@@H](O)C(=O)O 757401120 NLALPIABDKDHFO-LEWJYISDSA-N 451.479 2.149 30 10 JEEE C=CCN(C(=O)CN1C(=O)N[C@](C)(c2ccc(F)cc2)C1=O)c1nc(C(=O)OCC)cs1 920243458 QTQGAQISYLVIJE-OAQYLSRUSA-N 460.487 2.445 30 10 JEEE CCOc1cc(C=NNc2nnc(SCC(=O)Nc3cc(OC)cc(OC)c3)n2N)ccc1O 1084163515 GHYPTHHUJCCTGX-UHFFFAOYSA-N 487.542 2.290 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CC3)n2C[C@H](C)CN2CCN(CC)CC2)c1 1286309281 JHGKIRJGBMHQQY-HXUWFJFHSA-N 463.630 2.485 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCCO3)n2C[C@@H]2CCCN2CCCO)c1 1286311561 NSTGFQWZAODEQX-GOTSBHOMSA-N 480.613 2.423 30 10 JEEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CCCCn1cc(Br)cn1 1286359462 WTGFQONLINNXTP-UHFFFAOYSA-N 457.336 2.434 30 10 JEEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@]1(N(C)C)CCSC1)[C@@H]1CCS(=O)(=O)C1 1286386582 DBDJMVQMJPCSBB-VGOFRKELSA-N 477.631 2.148 30 10 JEEE C#CCN(c1nnc([C@@H]2COc3ccccc3O2)n1CCCN(CC)CC)[C@H]1CCS(=O)(=O)C1 1286391091 CLFWCDLAWRHODK-UGKGYDQZSA-N 487.626 2.149 30 10 JEEE C#CCN(CC)c1nnc(-c2cc(Br)cn2C)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1286436401 HEASNUXRPNTWJC-GOSISDBHSA-N 490.450 2.448 30 10 JEEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCN1CCC(C)CC1 1286465814 BMBXUEZVUFVQDV-UHFFFAOYSA-N 466.634 2.270 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@]2(N(C)C)CCC[C@@H](C)C2)CC1 1286469215 BWDQUMUDDMUJGZ-CJFMBICVSA-N 457.667 2.462 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)(C)C)n2CCC(=O)N2CCCCC2)n1 1286470513 YBFDOVTYKYOXSU-UHFFFAOYSA-N 455.607 2.461 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3OCC)n2C[C@@H]2CCCN2CC)CC1 1286483880 CAKCRYOKNNVSPG-NRFANRHFSA-N 452.603 2.495 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCCCO2)nnc1N1CCN([C@@H](C)C(=O)NCCCOC)CC1 1286539545 ZJADHUVCDDCNNL-ROUUACIJSA-N 499.454 2.092 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccnc(N2CCCCC2)c1 1286772484 FFJJMNTUSPGUJK-FQEVSTJZSA-N 474.631 2.253 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCCN(C(=O)C(C)C)CC1 1286782853 BANRSHUSGLFUCN-UHFFFAOYSA-N 484.601 2.349 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CC2CN(C(=O)OC(C)(C)C)C2)C1 1286811467 DORMSWHOMVYXCA-SFHVURJKSA-N 460.579 2.049 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1286820932 WAIBIOXQOXPJOI-HXUWFJFHSA-N 479.647 2.002 30 10 JEEE CC(C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC2CCOCC2)CC1 1288193060 GHNAGKYHOBSEQO-UHFFFAOYSA-N 465.602 2.280 30 10 JEEE CCN(CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(C#N)CC1)C1CC1 1295824292 CADOIFHPDRRSIZ-UHFFFAOYSA-N 471.631 2.420 30 10 JEEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H](c2ccc(C)cc2)N(C)C)CCOC1 1296663018 GUGPPQMNMONGDF-AWRGLXIESA-N 454.575 2.270 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1Cc1c(CC)noc1C)[C@@H]1CCS(=O)(=O)C1 1300489324 MDYNVJXQBHHFFL-GOSISDBHSA-N 469.567 2.488 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1Cc1c(CC)noc1C)[C@@H]1CCS(=O)(=O)C1 1300499559 USRTTXFTNIDKLP-LJQANCHMSA-N 483.594 2.411 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2Cc2cccnc2OC)CC1 1300728813 GIJLGFRPKZZPBP-UHFFFAOYSA-N 474.565 2.317 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2CC(C)(C)OCC)CC1 1300731244 LRXGQJXUBLFBGD-UHFFFAOYSA-N 472.615 2.051 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2CC2(O)CCCC2)CC1 1300731752 TZUGGCUNUGVVES-UHFFFAOYSA-N 451.571 2.436 30 10 JEEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)c1ccc(OC)cc1 1300763436 PKNGUASIYBRGQJ-FXAWDEMLSA-N 493.655 2.183 30 10 JEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CCOC)CCCCC1 1301296079 FEEGDOZXARQRRM-GOSISDBHSA-N 455.625 2.220 30 10 JEEE COC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(N(C)C)CCOCC2)C[C@H](C)O1 1301372633 GJJJDDQMIIHMDV-GHTZIAJQSA-N 454.575 2.168 30 10 JEEE C=CCN(CCOC)c1nnc(-c2c[nH]c3ccccc23)n1CC1(O)CCS(=O)(=O)CC1 1301422823 YXMRXJIIQVFZOI-UHFFFAOYSA-N 459.572 2.005 30 10 JEEE C=CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCc2nn(C)c(=O)cc2C1 1301601935 UZGRYCZGSPAGLY-UHFFFAOYSA-N 453.528 2.429 30 10 JEEE CC(=O)N1CCN([C@@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3C[C@](C)(O)C(C)C)C[C@@H]2C)CC1 1301765289 MBGUNALELIHACY-CNPGNWEMSA-N 479.629 2.213 30 10 JEEE CC(C)(C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(S(C)(=O)=O)CC1 1302204408 HOBCXKOMJORLJZ-UHFFFAOYSA-N 458.588 2.135 30 10 JEEE C#CCN(Cc1nccn1S(=O)(=O)N(C)C)[C@@H]1CCOc2ccc(Br)cc21 1308633656 LVSCSNTUYPHDJT-MRXNPFEDSA-N 453.362 2.259 30 10 JEEE COc1ccc([C@@H](CNS(=O)(=O)CC2(C#N)CCCCC2)N2CCOCC2)cc1OC 1309034851 BYVDUXKHQUWEPO-LJQANCHMSA-N 451.589 2.471 30 10 JEEE CCS(=O)(=O)N(C)CCCn1c(-c2cccn2C)nnc1N1CCN(c2ccccc2C#N)CC1 1314540102 CJRZPDOFVZMCLA-UHFFFAOYSA-N 496.641 2.153 30 10 JEEE CO[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1)C(C)C 1315213068 FAHFUSJGHNHDQS-NQIIRXRSSA-N 490.605 2.189 30 10 JEEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1358904209 ZBECCVVFAQWDLD-UHFFFAOYSA-N 450.547 2.067 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CC1(C)C)[C@H]1CCS(=O)(=O)C1 1358966359 NIEUHLGIHBQJNB-OALUTQOASA-N 453.568 2.402 30 10 JEEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCCn1cc(Br)cn1 1358970852 ZBQGHKRZJOJSPG-OAQYLSRUSA-N 475.391 2.441 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCOc1ccc(F)c(Cl)c1 1358984965 LWTRABYRTUKIHW-HNNXBMFYSA-N 467.954 2.223 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cn(C)c4ccccc34)n2CCC(=O)NC(C)C)CC1 1359043968 PHYMFAPADROAPD-UHFFFAOYSA-N 475.597 2.317 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCN(c2ncccn2)CC1 1359091557 OWRRAVDADOSARP-AABGKKOBSA-N 457.579 2.100 30 10 JEEE C=C(Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(OCC(N)=O)CC1)c1ccccc1 1359140531 DSWOAJVSYBOIGY-UGKGYDQZSA-N 455.559 2.186 30 10 JEEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1359203784 VTCMKYLSBHNEAK-WOJBJXKFSA-N 451.637 2.085 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(=O)Nc2ccccn2)n1C[C@]1(O)CCOC1 1359254148 HEFJKMMOUFMVJQ-XMMPIXPASA-N 464.526 2.278 30 10 JEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1cccc(F)c1)C[C@H]1CCCO1 1359287672 PYWNBQAVDOQLBB-UXHICEINSA-N 479.578 2.122 30 10 JEEE C=CCOc1ccccc1CNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 1360571982 MWTSZZFYABMWAQ-UHFFFAOYSA-N 459.568 2.268 30 10 JEEE CN(CCNC(=O)COc1cccc(Br)c1C#N)S(=O)(=O)c1cccs1 1435608607 HTILQIFTPMJHFK-UHFFFAOYSA-N 458.359 2.198 30 10 JEEE C=CCOc1ccc(Br)cc1NC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 1451171630 CAAWWFDTBXQMKD-OAHLLOKOSA-N 452.349 2.133 30 10 JEEE CC[C@@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCNC(=O)C(C)(C)C 1495773521 HYJYPBSTGGHUEG-IAGOWNOFSA-N 453.595 2.331 30 10 JEEE CCOC(=O)N[C@@H](CC(C)C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](C#N)C1 1502519115 CRZNGIWQBJUYRH-IRXDYDNUSA-N 489.602 2.159 30 10 JEEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(CC(=O)Nc2ccccc2CC)CC1 1507572708 UZFNNSZTCZFLFA-UHFFFAOYSA-N 465.602 2.153 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@@](C)(O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1507627035 IAANCUHITOTVLN-OXQOHEQNSA-N 451.980 2.027 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CCC(C)(C)O)CC1 1507733787 AIPYJQAQUVGLMI-UHFFFAOYSA-N 485.585 2.098 30 10 JEEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1507751019 BHEXBDYFKKLSGN-QGZVFWFLSA-N 495.609 2.273 30 10 JEEE C=C(Br)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1507780463 CAWXUQMOJXWZQY-MRXNPFEDSA-N 470.331 2.198 30 10 JEEE C=C(Br)Cn1c(N2CCN(CCOC)[C@H](C)C2)nnc1[C@]1(OC(C)C)CCOC1 1507791314 KKUKFSPIOWQYFP-XLIONFOSSA-N 472.428 2.384 30 10 JEEE C=C(C)COCCn1c(-c2cccnc2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1507839426 DYMIXJGLHBTXOF-UHFFFAOYSA-N 464.574 2.313 30 10 JEEE C=CCn1c(N2CCC[C@@H](CNS(C)(=O)=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1508066240 LOVDRXJULLFTFL-YESZJQIVSA-N 468.624 2.000 30 10 JEEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(c2cnn(CC)c2)CC1 1508090361 HKWRWCIGQCSRLA-UHFFFAOYSA-N 482.614 2.172 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCCN(C(=O)CC2CCCC2)CC1 1508144579 GDKUKOZLQNKHJD-FQEVSTJZSA-N 479.647 2.002 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCC[C@H](C(F)F)C2)nnc1[C@]1(OC(C)C)CCOC1 1508149754 WYGWRBJGYAIZSX-JXFKEZNVSA-N 462.563 2.401 30 10 JEEE CC1(C)CN(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCC(CCC(N)=O)CC2)CCO1 1510339328 IEFWWLBCRXXNRE-UHFFFAOYSA-N 495.628 2.321 30 10 JEEE CC[C@@H](C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCN1CCOCC1(C)C 1513007068 CBOFRTSPDFSVDC-LJQANCHMSA-N 452.607 2.496 30 10 JEEE N#Cc1ccc(N2CC[C@@H](C(=O)Nc3ccccc3S(=O)(=O)N3CCOCC3)C2)c(F)c1 1524702938 HYWHSCNGUJIIIV-QGZVFWFLSA-N 458.515 2.183 30 10 JEEE C=CCn1c(SCC(=O)N2CC[C@@H](CS(N)(=O)=O)C2)nnc1-c1ccc(Cl)cc1 1539107957 ACNAYRGDVVEENU-CYBMUJFWSA-N 455.993 2.014 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1Cc1ccc(C#N)o1)[C@H]1CCS(=O)(=O)C1 1539203911 VXNVPAJUOTWKPJ-IBGZPJMESA-N 492.561 2.287 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1CCC(C)(F)F)[C@H]1CCS(=O)(=O)C1 1539211768 OOFAGLNNNWGFPW-INIZCTEOSA-N 466.510 2.388 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1ccc(N(C)C)cc1C)[C@@H]1CCS(=O)(=O)C1 1539212341 VFSJBVHBKGNBJH-OAQYLSRUSA-N 464.595 2.390 30 10 JEEE C#CCN(c1nnc(C2CC2)n1C[C@H](c1cccc(OC)c1)N(C)C)[C@H]1CCS(=O)(=O)C1 1539216198 OYORQSDCVKUDEJ-PZJWPPBQSA-N 457.600 2.094 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1CC[C@@](C)(O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1539230688 KASHTUDSDDCXSM-TXTKFYIRSA-N 458.584 2.054 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1c(CC)nn(C)c1OC 1539232740 NPFKLCWPASYZBU-UHFFFAOYSA-N 479.972 2.287 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCN(C)S(=O)(=O)CC 1539284828 UCVWASYWOLKYCS-IBGZPJMESA-N 492.646 2.095 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H]2CCC[C@@H](O)C2)CC1 1539462991 QTJXDHSQCWZMCD-UWHLTILDSA-N 472.634 2.355 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2C[C@@H]2COCCO2)CC1 1539469700 URRAIXDYKIALQQ-WMZHIEFXSA-N 497.596 2.198 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2CCC(=O)N[C@H](C)CC)CC1 1539474674 WTHPZCHTZKJUFP-GOSISDBHSA-N 466.586 2.224 30 10 JEEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)c2ccco2)CC1 1539526244 LZVDGDQUKNIKNK-UHFFFAOYSA-N 484.607 2.191 30 10 JEEE C=C(C)Cn1c(COc2ccc(OC)cc2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1539717746 WBDGUTZTMCSQDP-HXUWFJFHSA-N 454.531 2.208 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(C)c(OC)c2)CC1 1539848146 LQITYFPIERFEDL-FQEVSTJZSA-N 461.588 2.133 30 10 JEEE C=CC1CCN(c2nnc(C(=O)NC(CC)CC)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1539871046 HDTOSEBUQFVLCT-XUTLUUPISA-N 455.563 2.125 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCNC(=O)C1)C(C)C 1540146997 ICUZTYFVXIZZNE-FQEVSTJZSA-N 466.586 2.351 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCn1c(C)nc2ccccc21 1540201433 UHDABOQXOIFFAH-GOSISDBHSA-N 458.588 2.177 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCO[C@@H](COC)C1 1540875302 HMHQWICREVYIGY-MRXNPFEDSA-N 451.980 2.378 30 10 JEEE C=CCNC(=O)Cn1c(N2C[C@H](C)O[C@H](c3ccsc3)C2)nnc1[C@@]1(OCC)CCOC1 1540876691 YHXVQBYKRDSNPM-SGXKBVARSA-N 461.588 2.260 30 10 JEEE C=CCOc1ccc(Cn2c(N3CCNC(=O)[C@H]3CC)nnc2[C@]2(OCC)CCOC2)cc1 1540878721 GBLLYTSHVBYFEP-YKSBVNFPSA-N 455.559 2.258 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)c1cccs1 1540903382 DJYWJQPMWYQTBF-GJZGRUSLSA-N 458.631 2.040 30 10 JEEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccccc2C1 1540917367 UPSKWJKAJRKKQQ-LJQANCHMSA-N 463.629 2.093 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@H](C)Oc1ccccc1 1541675227 FCBFENJMVJEGLI-OALUTQOASA-N 489.584 2.261 30 10 JEEE Cc1ccccc1-c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCS(=O)(=O)NC(C)C 1542722026 HEBYEZVXYYXUOD-UHFFFAOYSA-N 494.625 2.175 30 10 JEEE CC(C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCCN1CCCO[C@H](C)C1 1545091308 DYSFOGOQPODPMT-WOJBJXKFSA-N 467.622 2.279 30 10 JEEE CC[C@H](C)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CCCn1cc(CO)nn1 1545533075 BPKBCTGSATVZEQ-KRWDZBQOSA-N 467.553 2.303 30 10 JEEE CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2ccncc2)CC1 1545710646 DXLIYJDULNDVSQ-FQEVSTJZSA-N 472.597 2.491 30 10 JEEE CC[C@@H](C)NC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCOC2)CC1 1545716969 CVJGGNYYHLBMSI-IRLDBZIGSA-N 495.628 2.192 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(C(=O)NC(C)C)n1Cc1nnc(C)s1 1555544313 AMQUUCLNBGDBGI-UHFFFAOYSA-N 454.560 2.149 30 10 JEEE C#CCSCCNC(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 1564114827 ZHBMHCVOMKRNSI-MSOLQXFVSA-N 452.621 2.290 30 10 JEEE C=C(C)C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1)C(=O)OCC 1583527315 XFOKWBMBDFFFNK-HXUWFJFHSA-N 450.557 2.304 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC[C@@H](c3nnc(S)n3CC)C2)ccc1F 1585567858 UJMLLHORMDPERY-CQSZACIVSA-N 453.565 2.210 30 10 JEEE C#CCN(c1nnc([C@@H](C)OCCOC)n1Cc1sccc1C)[C@@H]1CCS(=O)(=O)C1 1588034955 NTLMIASVDSSEIS-IAGOWNOFSA-N 452.602 2.047 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1CCCN1C[C@@H](C)C[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1588045075 GRDVZHBHCYAOLZ-HBMCJLEFSA-N 470.643 2.335 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCOc1ccccc1C)[C@H]1CCS(=O)(=O)C1 1588054971 QTGUCEFOPJEMMB-UXHICEINSA-N 458.584 2.186 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC1([S@@](C)=O)CC1 1588124494 MSZRJDAVMRXBBF-MGBGTMOVSA-N 462.579 2.220 30 10 JEEE C#CCN(CCOC)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1COc2ccccc2O1 1588673721 YBQHWMMJMHGVLB-QGZVFWFLSA-N 467.551 2.196 30 10 JEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2c(F)cc(F)cc2C1 1594732253 AQTUKMDBOBDRHX-LJQANCHMSA-N 467.542 2.418 30 10 JEEE C=CCCOCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1594812570 HQAFTPONKXTCLK-MOPGFXCFSA-N 453.609 2.117 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3cnccn3)CC2)cc1 1595608344 RKVWANDVTQWLCF-UHFFFAOYSA-N 462.558 2.146 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N(C)C[C@H]1COc2ccccc2O1 1595784067 BEUOIGYASXBABP-SFHVURJKSA-N 455.540 2.217 30 10 JEEE CC(=O)N1CCC(Cn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N2CCC(C#N)CC2)CC1 1596013099 IDXLSOOMLNMHLQ-UHFFFAOYSA-N 499.641 2.194 30 10 JEEE C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)S(=O)(=O)c1cccc(Br)c1C#N 1621753174 HKUOFBHLICOITL-LLVKDONJSA-N 458.359 2.350 30 10 JEEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1c[nH]c2c(OC(F)(F)F)cccc2c1=O 1631744086 BOJWYRDPWVTETP-GFCCVEGCSA-N 458.400 2.439 30 10 JEEE C=CCN(C)CCN(CC)C(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 1635753022 CKHBUNFIRWHZNB-UHFFFAOYSA-N 452.577 2.270 30 10 JEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCO[C@@H](C(F)(F)F)C3)nnc12 1654349995 IIPZDHJUOYUOSY-CQSZACIVSA-N 453.446 2.112 30 10 JEEE C=CCS(=O)(=O)CCNC(=O)N1CCC([C@@H]2OCCC[C@H]2NC(=O)OC(C)(C)C)CC1 1670882452 ORSOIPHRHABFQR-MSOLQXFVSA-N 459.609 2.081 30 10 JEEE C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CN(Cc3ccccc3)CC[C@@H]2CO)cc1 1676356087 CGNGGZBEEHZURN-JUXOCIIHSA-N 456.568 2.377 30 10 JEEE C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N(C)C[C@]2(O)CCN(Cc3ccccc3)C2)cc1 1676356135 DDPLCEAYELBJEL-FDDCHVKYSA-N 456.568 2.473 30 10 JEEE N#Cc1ccc(CN2CC[C@H](NC(=O)NCC3(CN4CCOCC4)CCCCC3)C2=O)cc1 1680023566 HTZYQLYDJTWPIC-QFIPXVFZSA-N 453.587 2.241 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3ccccc3n2)n1CCS(=O)(=O)N1CCSCC1 1689841502 HSHNQWVBCULJFQ-QGZVFWFLSA-N 470.624 2.330 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@]1(N(C)C)CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1689985958 FWRMPCBUAIGRAT-PTLVVNQVSA-N 470.643 2.477 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CC[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1689997066 VFZYRRPLADAEAB-UXHICEINSA-N 458.584 2.219 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCOC2)n1C[C@@H]1CC(=O)N(CCOC)C1 1690090115 WOZSLVGISRKLMB-RTWAWAEBSA-N 469.561 2.446 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc(OC)cc2)CC1 1690138039 QMXYIIYBWXPSQH-SANMLTNESA-N 481.597 2.341 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2cccc(CO)c2)CC1 1690140114 MDIUIPVSZVSSRC-UHFFFAOYSA-N 464.957 2.500 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2C[C@@H]2CCOC[C@H]2OC)CC1 1690140385 XENZPFSBRNYMDR-GHTZIAJQSA-N 455.534 2.102 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CCN2CCCCC2)CC1 1690148795 VHTSMMNZHGGJQJ-UHFFFAOYSA-N 452.578 2.460 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCCn2cc(Br)cn2)CC1 1690153994 GQZRWIZKSKMRKF-GOSISDBHSA-N 490.406 2.145 30 10 JEEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 1690673901 IPNSJVAQASNUHJ-UHFFFAOYSA-N 485.677 2.130 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCN(c2cc(F)cc(F)c2)CC1 1690726887 PJAZTBXWXFDROJ-UHFFFAOYSA-N 488.564 2.470 30 10 JEEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(F)c1 1690746916 NOHQMMFBVAMTFS-SFHVURJKSA-N 469.608 2.306 30 10 JEEE CC(=O)N1CCC[C@H](Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCC(C#N)CC2)C1 1690803958 HYHVDPIXIRIDMZ-IBGZPJMESA-N 470.599 2.347 30 10 JEEE CCN1CCN(C[C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H](C(=O)OC)C2)CC1 1695896552 FNNUOVVHQNUAGG-REWPJTCUSA-N 479.629 2.480 30 10 JEEE CCOCc1nnc(N2CCCN(c3ccccc3C#N)CC2)n1C[C@H]1CCCN1CCCO 1696318798 CDBMOHRUBJDBKU-JOCHJYFZSA-N 467.618 2.250 30 10 JEEE COCC[C@](C)(O)Cn1c(COc2ccc(Br)cc2)nnc1N1CCO[C@H](C#N)C1 1697934328 CDLNUQKIDQWQPF-XLIONFOSSA-N 480.363 2.136 30 10 JEEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)N2CCC(C)CC2)CC1=O 1698096080 BXAFKERMPHCDSB-OAQYLSRUSA-N 495.628 2.144 30 10 JEEE C#CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1705530998 VCTPIQCGEZNXSU-UHFFFAOYSA-N 466.586 2.120 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCCNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1705562637 HASNNNPHYKMLRD-KRWDZBQOSA-N 477.587 2.388 30 10 JEEE C#CCN(c1nnc(Cn2ccc3ccccc32)n1CCC(=O)N[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1705568025 FWMNFKZIZZVRJU-PZJWPPBQSA-N 496.637 2.213 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCc2ccc(OC)cc2)CC1 1705652667 IHQMYLZBMZOBOW-GMAHTHKFSA-N 481.597 2.219 30 10 JEEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1705658595 UMYBDMKBUHOVQG-UHFFFAOYSA-N 450.528 2.336 30 10 JEEE C=C(Br)Cn1c(-c2ccc3ccccc3n2)nnc1N(C)CCNS(C)(=O)=O 1705682558 DONLYWPHCNQWKL-UHFFFAOYSA-N 465.377 2.387 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1705898973 DONWTMPDGXOPLH-UHFFFAOYSA-N 462.514 2.186 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(c2c(F)cccc2OC)CC1 1705903415 VEJLVSGWVOLXGF-LJQANCHMSA-N 458.538 2.296 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCc1cccs1 1706886821 DKXDNQIVGPFXKM-QGZVFWFLSA-N 485.639 2.391 30 10 JEEE Cc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)C[C@@H](C)C#N)c(O[C@@H]2CCOC2)c1 1707492303 GUMZMUYQJFSCLT-JENIJYKNSA-N 476.603 2.009 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CC=CCO1)[C@H]1CCS(=O)(=O)C1 1722365869 PUCAXRWQQGHTSO-IRXDYDNUSA-N 494.415 2.018 30 10 JEEE C#CCN(c1nnc(C2CCC2)n1CC(F)(F)CNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1722366281 HFGIYJGAPKALKM-INIZCTEOSA-N 487.573 2.332 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCCN1CCCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1722372271 SQXJTRYHOIVVGJ-IRLDBZIGSA-N 487.674 2.031 30 10 JEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCN(C)CC(F)(F)F 1722379766 XWZCANGOMZPBGK-UHFFFAOYSA-N 481.548 2.195 30 10 JEEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1C[C@@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1722403381 ZIQVWUKJEYJVLL-CEXWTWQISA-N 495.584 2.409 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCO[C@H](C)C1 1722417509 KDWHPQGPNMLOKO-AOIWGVFYSA-N 463.579 2.482 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3c[nH]c4ccccc34)n2CC(C)(C)C(=O)NC)CC1 1722446128 NZHKMRSINUEPQR-UHFFFAOYSA-N 461.570 2.164 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2c(CC)nn(C)c2CC)CC1 1722448857 ZVRUIQVUWUOHCZ-QFIPXVFZSA-N 467.618 2.392 30 10 JEEE C#CCSCCn1c(N2CCO[C@]3(CCO[C@H]3C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1722464429 GCQITSMMFXCQRG-VLCRHTCISA-N 450.605 2.069 30 10 JEEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C(=O)NCCCC)CC[C@H]1C 1722543037 KQEAMHQENQHGJW-OWCLPIDISA-N 461.032 2.162 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cccc(Cl)c2)C1 1722717951 FOVVCWMUTIJNKY-OALUTQOASA-N 482.006 2.094 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCCN(c2nc(CC)ns2)CC1 1722727827 LSBWTJCWOGVMPY-UHFFFAOYSA-N 467.665 2.208 30 10 JEEE CC(=O)NC1CCC(N(C)c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1722807915 GPGXQSCOYQIVFR-LZBANZJXSA-N 499.641 2.124 30 10 JEEE CCC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC(=O)N(CCOC)C2)CCO1 1727982359 GFATUSSBVDJTMY-TZIWHRDSSA-N 452.559 2.317 30 10 JEEE CO[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1)C1CC1 1729869606 DBKJBIPHSVROFV-HXUWFJFHSA-N 458.588 2.102 30 10 JEEE CS(=O)(=O)c1ccc(OCCn2c(-c3cccnc3)nnc2N2CC[C@](F)(C#N)C2)cc1 1730993730 BJOXHUTVZSKFHU-NRFANRHFSA-N 456.503 2.265 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC)n2C[C@H]2CCC[C@H]2N2CCCS2(=O)=O)c1 1740564083 AJVQIBNFNOCCDK-TZIWHRDSSA-N 484.626 2.101 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCO[C@@H](C)C2)c1 1740564709 VNJPPOJDWLLLKB-DFQSSKMNSA-N 485.610 2.052 30 10 JEEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1740572052 ZCVXHMCMOSKYGC-SFTDATJTSA-N 466.634 2.109 30 10 JEEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1cccnc1-n1cccn1)[C@@H]1CCS(=O)(=O)C1 1740617727 WKHQKBLSQGJZIV-PKOBYXMFSA-N 453.572 2.047 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1CCN(C)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1740620918 HZADTCSXCUJFHV-JOCHJYFZSA-N 464.595 2.099 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H]1CCOC[C@@H]1OC 1740669215 RGDXRJIOHYBACL-XLIONFOSSA-N 450.543 2.186 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2Cc2ccc(COC)cc2)CC1 1740706886 HHOJMLXBWXWRCA-UHFFFAOYSA-N 458.566 2.424 30 10 JEEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1740738072 CUXASZBFPFABMP-TZMCWYRMSA-N 472.413 2.044 30 10 JEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 1740795702 AXTJHAYWDANIHR-LJQANCHMSA-N 460.623 2.372 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccncc3)n2Cc2ccccc2S(=O)(=O)N(C)C)C1 1740981269 MVWZSMHKEVXOSQ-OAQYLSRUSA-N 482.610 2.344 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@@H](C#N)C1 1740987074 OQPQJPDJTGJVDW-QAPCUYQASA-N 465.963 2.401 30 10 JEEE C=CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(OCC(N)=O)CC1 1740998788 QSNSOOOAGGRVDF-UHFFFAOYSA-N 459.572 2.106 30 10 JEEE C[C@H]1[C@@H](C)SCCN1c1nnc(COc2ccc(C#N)cc2)n1CC1(C(N)=O)CCOCC1 1743396173 AABUDYXYQAUHLI-DLBZAZTESA-N 470.599 2.341 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCSCc1ccc(C)cc1 1748672512 UTNATHUQNKSHHE-AZUAARDMSA-N 477.656 2.311 30 10 JEEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCCN(Cc2ccc(OC)cc2)C(=O)C1 1748757898 OOOLKHXOYGXDND-UHFFFAOYSA-N 464.570 2.061 30 10 JEEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC1(S(C)(=O)=O)CCC1 1748784475 NOUCFBBUVFSUCA-UHFFFAOYSA-N 468.583 2.273 30 10 JEEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1OC1CCCC1 1748790204 GCTAJYCUSDGDOM-NRFANRHFSA-N 473.599 2.050 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1CCc1ccc(S(C)(=O)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1748804328 FWPLFBKRXRTVEX-IEBWSBKVSA-N 478.640 2.065 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1CCCN(C)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 1748812190 RTAUENCHUFPETQ-FQEVSTJZSA-N 471.631 2.016 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1CCCCN1CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1748812335 SSAVSJFUQUIKKU-SFTDATJTSA-N 472.659 2.422 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@H](c1ccco1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1748815990 VGBRUVPLDXNRLH-UYAOXDASSA-N 468.583 2.171 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC1CCN(CCC(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 1748817669 NXGXDGQYDZPBMW-FGZHOGPDSA-N 477.675 2.167 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2C[C@]2(N(C)C)CCSC2)CC1 1748992952 LALDPSGCTDGMDR-XMMPIXPASA-N 454.644 2.070 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCc2ccc(N(C)C)cc2)CC1 1749009051 FJXJLAKQPXDXTO-JOCHJYFZSA-N 464.614 2.447 30 10 JEEE C=C(C)COCCn1c(COc2ccc(C)cc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1749239928 PQSRCFUYVHUKQV-UHFFFAOYSA-N 465.558 2.345 30 10 JEEE C=CCCOCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H](C)O[C@@H](C)C1 1749447303 AXDJNNSORMSEBE-ROUUACIJSA-N 463.604 2.402 30 10 JEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC(NC(=O)c2ccccc2)CC1 1749676642 XYYBGMPHUIGSAM-UHFFFAOYSA-N 479.610 2.335 30 10 JEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(NC(=O)Nc2ccccc2)CC1 1749677892 OAXFRXHMAYJCOA-UHFFFAOYSA-N 491.600 2.232 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)[C@@H](F)C1 1749689735 JICYTJDWBSBWRI-IMFGXOCKSA-N 479.578 2.018 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCN(CCC)C2)c1 1760127296 VQGVQCNKOXGJBL-OAQYLSRUSA-N 477.613 2.302 30 10 JEEE C#CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1760165764 DLWYEDQSSDWAHT-KRWDZBQOSA-N 462.396 2.048 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CCc1nccnc1C)[C@H]1CCS(=O)(=O)C1 1760181992 AEKSXRKDHJHSEP-NRFANRHFSA-N 464.595 2.475 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1cc(Br)ccc1F 1760249403 KWBRYVJBXWUBND-MRXNPFEDSA-N 499.406 2.411 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCC2CCN(CC(F)(F)F)CC2)CC1 1760257086 OEEONRRUAMURSS-QHCPKHFHSA-N 498.594 2.350 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCCCOC)CC1 1760267646 VBPYZTAQJHTZMZ-UHFFFAOYSA-N 453.543 2.109 30 10 JEEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1760284116 GCZXGJWQNZDQTO-FQEVSTJZSA-N 454.604 2.300 30 10 JEEE C=C1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCN2CCOC[C@H]2C)CC1 1760389780 UAIYKRXFFNBZEC-UXHICEINSA-N 476.622 2.464 30 10 JEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC([C@@H]2CCOC2)CC1 1760427804 ISZFIFMZZVPVLN-UXHICEINSA-N 467.636 2.220 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@H]1CSC 1760515183 QLPGAUHYYCADAT-KRWDZBQOSA-N 463.007 2.496 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CCN(C(C)=O)C[C@H]1C 1760519650 KSFLKVCLCXZEII-CQSZACIVSA-N 461.364 2.067 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 1760525969 YUXHJLNSCLCKLA-IBGZPJMESA-N 469.590 2.307 30 10 JEEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1Nc1cnn([C@H]2CC2(F)F)c1 1760526147 FZECTXLAMKLSIW-AWEZNQCLSA-N 462.486 2.092 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Br)cc2)nnc1N1CCN(CC(F)F)CC1 1760526179 GVUVLGKIYYPKRS-UHFFFAOYSA-N 499.360 2.309 30 10 JEEE C=CCNC(=O)Cn1c(N2CCN(CC(=O)Nc3ccccc3CC)CC2)nnc1C(C)(C)C 1760528874 PAOGVUMOBBCUJO-UHFFFAOYSA-N 467.618 2.201 30 10 JEEE C[C@@H]1C[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N(C)C2CCN(S(C)(=O)=O)CC2)CCO1 1762742490 IAOBDQUNWFKQEH-MJGOQNOKSA-N 472.615 2.492 30 10 JEEE CN(C)C(=O)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1766859069 BJEWUBHKVQXHSO-FQEVSTJZSA-N 476.585 2.400 30 10 JEEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1CCCN1CCCO[C@H](C)C1 1769126914 DVNADOKIFSIYGG-RTBURBONSA-N 453.591 2.136 30 10 JEEE Cc1ccc([C@@H](C#N)NC(=O)[C@@H](C)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1 1867782104 OUOCGERSIUHJQB-VQIMIIECSA-N 451.483 2.239 30 10 JEEE C=CCN(CC=C)C(=O)[C@H](NC(=O)CCS(=O)(=O)c1ccc(OC)c(OC)c1)C(C)C 1868739644 YMVGXBVEOUTCLV-OAQYLSRUSA-N 452.573 2.209 30 10 JEEE C=CCn1cc(OCC(=O)Nc2ccc(CC)cc2)c(=O)cc1CN1CCC(C(N)=O)CC1 1870722908 DRMPIZQDNPGGAV-UHFFFAOYSA-N 452.555 2.312 30 10 JEEE Cc1ccc(N2CCN(C(=O)[C@H]3SCC(=O)N(C(C)C)[C@@H]3c3ccc(C#N)cc3)CC2)nn1 1889534526 XIBAPELOAZREJE-PKTZIBPZSA-N 464.595 2.399 30 10 JEEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)c3cc4ccccc4oc3=O)CC2)CC1 1890855265 NXWBHPHGGYYMPD-UHFFFAOYSA-N 451.567 2.444 30 10 JEEE N#C[C@@H]1CN(S(=O)(=O)c2cc(C(=O)O)oc2Br)CCN1Cc1ccccc1 1914777664 AOJAOEIMJLFKLT-CYBMUJFWSA-N 454.302 2.139 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2180983309 ONTTUGYHKUVGFT-RTBURBONSA-N 460.380 2.015 30 10 JEEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)[C@@H]2C[C@@H]21 2255799603 KXBAZRKKBSUZTG-LSDHHAIUSA-N 470.422 2.430 30 10 JEEE CC(C)(C)OC(=O)NC[C@@]1(CO)COCCN1C(=O)C1(B2OC(C)(C)C(C)(C)O2)CCC1 2266991150 BVTWVJHKQLPFPP-OAQYLSRUSA-N 454.373 2.118 30 10 JEEE C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CN(C(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)CCO1 2267170788 AHBASYWQXLVXEF-ZIAGYGMSSA-N 467.397 2.197 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](NS(=O)(=O)Cc2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267471949 WTKVAOYZUAEBRV-HDICACEKSA-N 466.409 2.461 30 10 JEEE CCc1nn(C)c(C(=O)N(C)CCCNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267506270 VIAMMTDUYFKRQI-UHFFFAOYSA-N 450.389 2.269 30 10 JEEE CCc1nn(C)c(C(=O)NC2CC(C)(NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2281982890 QFKGRABAEOSFGX-UHFFFAOYSA-N 462.400 2.457 30 10 JEEE CCc1nn(C)c(C(=O)N[C@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2281992912 TVOQIEOJXDYYHT-HOTGVXAUSA-N 462.400 2.457 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C[C@@]12CCOC2 2282009574 QBGOYSYIUTYLGK-RCDICMHDSA-N 479.408 2.341 30 10 JEEE Cn1cc(C(=O)NC[C@@H]2C[C@@H](NC(=O)OC(C)(C)C)C2(C)C)nc1B1OC(C)(C)C(C)(C)O1 2282037390 VCKMKRFVVVLSMO-GOEBONIOSA-N 462.400 2.389 30 10 JEEE Cn1cc(C(=O)NC[C@@]23CC[C@H]2CN(C(=O)OC(C)(C)C)C3)nc1B1OC(C)(C)C(C)(C)O1 2282545197 HVHOKZGQHASUCO-NPMXOYFQSA-N 460.384 2.096 30 10 JEEE Cc1c(C(=O)N[C@@]2(CF)CCN(C(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282552629 RSEXJTCWLLAPHW-JOCHJYFZSA-N 466.363 2.107 30 10 JEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1CO 2282559488 JISVEZQCYPIOHR-NVXWUHKLSA-N 464.368 2.235 30 10 JEEE Cc1c(C(=O)NC2CC3(C2)CN(C(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282592523 DOLWLYRXQCVRSJ-UHFFFAOYSA-N 460.384 2.157 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2Cl)CCO1 2282608574 WLXFZNIDXFIUDE-OAHLLOKOSA-N 481.786 2.400 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C 2283957403 XWFUIXJROKHIEN-WBVHZDCISA-N 462.352 2.303 30 10 JEEE Cc1ccc2[nH]c(C(=O)O)c(C=Nn3c(SCC(=O)NC4CCCC4)nnc(C)c3=O)c2c1 2321655237 RKMGFPSDTZPWEH-UHFFFAOYSA-N 468.539 2.468 30 10 JEEE CCOc1cc(C=Nn2c(COc3ccc(OC)cc3)nnc2SCC(N)=O)ccc1O 2328371834 XGTLZESOHPRSTF-UHFFFAOYSA-N 457.512 2.430 30 10 JEEE CCCCc1nnc(SCCO)n1N=Cc1ccc(OCCN2CCOCC2)c(OC)c1 2331351527 BSERAJJQCZGXRQ-UHFFFAOYSA-N 463.604 2.307 30 10 JEEE CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2B2OC(C)(C)C(C)(C)O2)C1 2359265674 HGTILVNETRRXMZ-GVDBMIGSSA-N 465.400 2.348 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2C1 2362351599 HOFVPWIOATYZEZ-JKSUJKDBSA-N 460.384 2.048 30 10 JEEE CCc1nnc(CNC(=O)CSc2n[nH]c(N/N=C/c3ccc(Br)cc3)n2)o1 59879195 UKVOYEHORUTPDJ-FBCYGCLPSA-N 465.337 2.367 30 10 JEEE COc1ccc(Cl)cc1/C(O)=C1/C(=O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccccn1 102749682 DTEGWDLEKAXVTF-LCPUNJGISA-N 457.914 2.498 30 10 JEEE O=[N+]([O-])c1ccc(C=NN2CCN(c3ccncc3S(=O)(=O)N3CCCCC3)CC2)cc1 252593879 BNVNCPBKNPUJEK-UHFFFAOYSA-N 458.544 2.321 30 10 JEEE CCN[C@@](C#N)(Cn1cnc(I)c1I)C1CC1 384152816 QPOJAKIJQQSVGP-NSHDSACASA-N 456.069 2.374 30 10 JEEE COc1ccccc1OC[C@@H](O)C[N+]1(O)CC[N+](O)(CC(=O)Nc2c(C)cccc2C)CC1 575231912 YCKJNXMYPXQNEP-FUNONRDXSA-O 461.559 2.116 30 10 JEEE CCOc1ccc(/C=C/C(=O)[C@H]2C[C@@H](NC(=O)CNC(=O)c3ccccc3)CCN2)cc1OC 585828337 RQQHTUVSYXONPH-LUOTYQEOSA-N 465.550 2.343 30 10 JEEE CNS(=O)(=O)c1ccccc1N1CCN(CC(=O)N(CCC#N)c2cccc(C)c2C)CC1 609040768 XZFYLNWASRYCTC-UHFFFAOYSA-N 469.611 2.280 30 10 JEEE C#C[C@@H](NC(=O)c1cccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2OC)c1)[C@H]1CCCO1 1138447254 OYNABIPHKIQJOA-YLJYHZDGSA-N 459.480 2.315 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1CCOc1ncccc1Cl)[C@H]1CCS(=O)(=O)C1 1286383995 GBHFNDDYXSKOGG-HNNXBMFYSA-N 451.980 2.330 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1Cc1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1286387156 AZZOTBQGPXRHAJ-GOSISDBHSA-N 455.540 2.234 30 10 JEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1CC1(O)CCCC1)[C@@H]1CCS(=O)(=O)C1 1286391065 GACLWWDGQOBTAJ-HXUWFJFHSA-N 472.611 2.004 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H](C)c1nccs1)[C@@H]1CCS(=O)(=O)C1 1286395961 UQLGBVMTUMZRLD-SJLPKXTDSA-N 456.597 2.151 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(SC)CCN(C)CC2)CC1 1286484410 KAISLFFRCCXZNP-UHFFFAOYSA-N 479.654 2.311 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC(C)(C)N2CCOCC2)CC1 1286489137 HGDLKYZOIIWJDH-UHFFFAOYSA-N 486.020 2.070 30 10 JEEE C=C(Br)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2nccc(OC)n2)CC1 1286542870 OBNJDRISPLKIGO-UHFFFAOYSA-N 488.394 2.174 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1286558381 OJMNZGDYYOQDMP-VQIMIIECSA-N 466.633 2.098 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(NC(C)=O)c1 1286581292 HNKGYEBHLSDNPK-FQEVSTJZSA-N 476.603 2.020 30 10 JEEE C=C(C)COCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1286601540 MCOADGDFZWEJFI-FQEVSTJZSA-N 467.574 2.296 30 10 JEEE C=C(Cl)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1286618641 DQPKXLOXMJXXDA-UHFFFAOYSA-N 475.981 2.491 30 10 JEEE C=CC[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(N)=O)C1)c1ccccc1 1286678930 HJMDZTJBKBPEEA-AABGKKOBSA-N 457.600 2.242 30 10 JEEE C=CCCOCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1286716104 FZQISRXWLHIQAD-YDHSSHFGSA-N 450.580 2.369 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCO[C@@H](c2ccco2)C1 1286780736 ZLCSHMKVJIFGDQ-HXUWFJFHSA-N 453.499 2.435 30 10 JEEE C=CCOc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CCC(N(C)C(C)=O)CC2)cc1 1286796324 JKBLZZZQZAFRMY-UHFFFAOYSA-N 466.586 2.461 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 1286818702 MWPANSCMFSPQDC-SFHVURJKSA-N 485.566 2.012 30 10 JEEE CC(C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC1CCN(CCN(C)C)CC1 1287216438 FKNKOAUZYUUSEY-UHFFFAOYSA-N 465.650 2.268 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H](c1ccc(F)cc1)N(C)C 1292133185 GHVYFBUVAPKJHZ-WOJBJXKFSA-N 457.554 2.367 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1[C@H]1C[C@H](c2cccc(F)c2)C1)[C@H]1CCS(=O)(=O)C1 1300478929 GYXQCUDNLAFXSE-IHPCNDPISA-N 473.574 2.301 30 10 JEEE C#CCN(c1nnc([C@@H](CC)c2ccccc2)n1CCc1n[nH]c(C)n1)[C@@H]1CCS(=O)(=O)C1 1300482807 HHLLSKDGKQOGGP-UXHICEINSA-N 467.599 2.116 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@H](C)N(C)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1300498419 KCUGEEJZTQMRKO-XUZZJYLKSA-N 492.649 2.411 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CC(=O)Nc1c(C)cccc1C)[C@H]1CCS(=O)(=O)C1 1300499069 PCVNDRYUIFQMJT-NRFANRHFSA-N 492.605 2.146 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H]1N(C)CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1300499925 ZPDDYSKYHGQAQW-RTWAWAEBSA-N 470.643 2.011 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1300690440 LAUCBCUKSQJRGL-HXUWFJFHSA-N 484.670 2.279 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCSC2(C)C)CC1 1300712988 ZRKSHCZCKBZBED-GOSISDBHSA-N 481.626 2.423 30 10 JEEE C=C(C)Cn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1300956535 AFEBIDIZSYFCCH-NHCUHLMSSA-N 451.619 2.467 30 10 JEEE C=CCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1301202754 PYWGABSOLQLYKP-QGZVFWFLSA-N 470.549 2.451 30 10 JEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1cccs1)N1CCCC1 1301296073 FBDWSQJXPIRUHT-ZWKOTPCHSA-N 480.660 2.132 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)Nc2ccccn2)n1C[C@@]1(O)CCOC1 1301340569 IWPISDZGZVAQHT-DEOSSOPVSA-N 459.510 2.141 30 10 JEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1301457816 BULBAWKPSYOZRM-FDDCHVKYSA-N 462.595 2.074 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CC[S@@](=O)C(C)(C)C)C1 1301544995 CGKNUXNNEBVRIO-DUTUXMCTSA-N 470.603 2.249 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC2(S(C)(=O)=O)CCCC2)C1 1301565900 LJVBALVUGOQYKW-QGZVFWFLSA-N 493.655 2.408 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CC(F)(F)F)CC1 1301577130 KESFUKPGTHDXEC-UHFFFAOYSA-N 478.928 2.279 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCOC(C)(C)[C@H]1C 1301592987 HEYVYQGRIFZCIU-QGZVFWFLSA-N 459.572 2.333 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@H](c2nnc(N3CC[C@@](F)(C#N)C3)n2CC2(S(C)(=O)=O)CC2)C1 1302221556 FAKRVPGGAGKWOZ-HRAATJIYSA-N 496.609 2.412 30 10 JEEE CS[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1302565596 FJVINUFPXDTSCG-IEBWSBKVSA-N 490.655 2.485 30 10 JEEE CCCCN(C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1306684022 FOFOVAZLLUNECK-SFTDATJTSA-N 451.575 2.411 30 10 JEEE C#CCCCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1358924149 NMPJPPSXJWRGIH-XLIONFOSSA-N 455.994 2.396 30 10 JEEE C#CCCCn1c(-c2ccccn2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1358926426 ORSSFJHDIILKGM-UHFFFAOYSA-N 457.585 2.029 30 10 JEEE C=C(Br)Cn1c(N2CCC[C@H](CC(N)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1359088270 GLWFSZKIZRPXNQ-DNVCBOLYSA-N 456.385 2.319 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](OC)C(C)(C)C)CC1 1359179452 VQPPIQUTWUXICW-ZWKOTPCHSA-N 455.625 2.075 30 10 JEEE C=CCN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@]1(N2CCOCC2)CCSC1 1359243711 BOBOGNLRTPQWJU-NRFANRHFSA-N 462.645 2.100 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCC(CO)CC1 1359294519 WFZNZJVIPVDDOS-UHFFFAOYSA-N 452.328 2.358 30 10 JEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCCN(C(=O)c2ccsc2)CC1 1359302981 ZUABVYRKPUERHB-UHFFFAOYSA-N 485.639 2.350 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccc(C(=O)NCCC)c2)C1 1359321095 ZVBKBZVVXDFQFR-WOJBJXKFSA-N 452.559 2.199 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 1359326730 IRMCMVHTVTUQBB-SFHVURJKSA-N 459.616 2.416 30 10 JEEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN(Cc3cc(OC)cc(OC)c3)CC2)cc1 1445447987 AWTUAZMCNKCPJX-UHFFFAOYSA-N 459.568 2.126 30 10 JEEE CCC(CC)[C@@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](C#N)C1)N1CCOCC1 1496668428 CXRJDCPFVDUXJX-FGZHOGPDSA-N 470.622 2.006 30 10 JEEE CCN(CC)CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2[C@H]2C[C@H]2C)CC1 1501909500 CDOYZHVFSKFZHI-NQIIRXRSSA-N 451.575 2.300 30 10 JEEE COc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)c(C(F)(F)F)c1 1504269649 GITXJCNJKXDVSO-HOCLYGCPSA-N 450.421 2.034 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)cc1C(F)(F)F 1507654119 WCLNOBGZIQIYSF-MRXNPFEDSA-N 466.485 2.329 30 10 JEEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1507657444 SSXGRGVVCIHWNK-IBGZPJMESA-N 454.575 2.120 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(Br)cc3)n2CCCC(=O)N(C)C)CC1 1507725830 BFUJOGALKLDWFX-UHFFFAOYSA-N 489.418 2.243 30 10 JEEE C#CCN1CCN(c2nnc(CCCc3ccccc3)n2CC2(O)CCN(C(C)C)CC2)CC1 1507728396 SMIHICISEDYKLT-UHFFFAOYSA-N 464.658 2.444 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CCOc2cccc(F)c2)CC1 1507740757 YPFUQASEVIUVSA-UHFFFAOYSA-N 462.529 2.448 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2Cc2cccc(C(C)(C)O)c2)CC1 1507741466 UJIMXGPNFKCYBZ-OAQYLSRUSA-N 451.571 2.371 30 10 JEEE C#CCSCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCO[C@]2(CCOC2)C1 1507744510 MUJZQJJFUOZHBM-HSZRJFAPSA-N 474.583 2.333 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1507790501 AGDDWTIEPMHWBO-KCYZZUKISA-N 471.396 2.466 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CCO)Cc1ccccc1OC 1507797883 MQLQFFGBHQCKEG-VWPQPMDRSA-N 490.626 2.169 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(C)=O)C[C@H]1C 1507805893 LLIZRUNJORKLFK-MMOPVJDHSA-N 472.615 2.308 30 10 JEEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1ccc(O)cc1 1507844351 INOVDACKLIYELL-RTWAWAEBSA-N 491.614 2.251 30 10 JEEE C=CCC(C)(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H](C(N)=O)C1 1507911245 INTLUDCFAYJJLY-QGZVFWFLSA-N 460.604 2.109 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(C2CCCC2)CC1 1508071891 GUHUMFAXOPYMHL-UHFFFAOYSA-N 484.601 2.338 30 10 JEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1508086458 ZDDQNRLQZOBICB-HNNXBMFYSA-N 475.619 2.382 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1Cc1ccc(N2CCN(CC)CC2)nc1 1538962291 GGUZNNXDTOFZBL-LJQANCHMSA-N 466.634 2.240 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CCN1CCN(Cc2ccccc2)CC1 1538975606 ALLQLMLHMZNMQQ-ATIYNZHBSA-N 466.630 2.206 30 10 JEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2cccc(Cl)c2)CC1 1539053185 MFEDYPCLIOMCFI-KRWDZBQOSA-N 493.033 2.308 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CC(CC)(CC)SC)[C@H]1CCS(=O)(=O)C1 1539202417 IERJLBCQCXYTKG-KRWDZBQOSA-N 490.655 2.474 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1C[C@H]1CCCN1CCCO)[C@H]1CCS(=O)(=O)C1 1539211312 HHGBUDFAQYHNDE-RTWAWAEBSA-N 492.045 2.072 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1CCc1nccc(C(F)(F)F)n1)[C@@H]1CCS(=O)(=O)C1 1539216257 PWLNZZFQUHSSQK-MRXNPFEDSA-N 491.499 2.018 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCN(C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1539224396 GHVQTGIWCCDJDN-QFIPXVFZSA-N 498.678 2.393 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccnc1OCCCC 1539324390 TVUMTNSYTSRGQO-HXUWFJFHSA-N 455.584 2.265 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@](C)(O)c2cccs2)CC1 1539434226 DJOOLMBHNWOFQK-QHCPKHFHSA-N 485.635 2.073 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2Cc2ccn(C)n2)CC1 1539474163 KNNIJHHONJKKOU-UHFFFAOYSA-N 477.569 2.100 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H](C)Oc2cccc(OC)c2)CC1 1539480885 FSSOMOOSKCIWMY-QUCCMNQESA-N 467.570 2.224 30 10 JEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 1539526637 RCSBGUQJLSBTLM-QGZVFWFLSA-N 462.620 2.213 30 10 JEEE C=C(Br)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2nccc(OC)n2)CC1 1539574755 PMYJGKAFYBCNQX-UHFFFAOYSA-N 493.410 2.230 30 10 JEEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1539752083 BDTMGRGTQQMKNT-HXUWFJFHSA-N 464.574 2.254 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2(CCOCC)CC2)CC1 1539890850 ULGFNPJGUHMGMS-LJQANCHMSA-N 467.636 2.220 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1540875534 OYSUTRKWDYLXRM-HSZRJFAPSA-N 459.522 2.073 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2nncn2CC)C1 1540896630 PSCIQRFGBLEPRZ-FGTMMUONSA-N 472.594 2.490 30 10 JEEE C=CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCO[C@H](CNC(C)=O)C1 1540916352 AHUGWKGVNDYLFF-YLJYHZDGSA-N 459.572 2.051 30 10 JEEE Cc1nccn1CCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@H](C#N)C1 1542973924 DRDFRRVFFXAPFZ-LJQANCHMSA-N 468.949 2.186 30 10 JEEE COCCCNC(=O)N1CCC2(CC1)CN(c1ccc(C#N)c(C(F)(F)F)c1)C[C@H]2C(N)=O 1548377238 GKMOCMCBUPWXJX-SFHVURJKSA-N 467.492 2.327 30 10 JEEE COCCN1C[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCS[C@H](C)C2)CC1=O 1555573988 DXUCWVUHBFCAOE-IEBWSBKVSA-N 470.599 2.165 30 10 JEEE C=CCOc1c(Cl)cc(CN2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)cc1OC 1560643752 WYDIHABZJCKCSY-UHFFFAOYSA-N 454.980 2.462 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CCN2CCCCCC2)c1 1587684016 QXJNPCXKBBRGIL-UHFFFAOYSA-N 477.613 2.446 30 10 JEEE C#CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1587822747 CFTYTSGNUNCSOT-HXUWFJFHSA-N 451.531 2.010 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ccccc1C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1588049143 ASUONVPPKWCUIY-MRXNPFEDSA-N 476.484 2.429 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1Cc1ccc(OC)c(O)c1)[C@H]1CCS(=O)(=O)C1 1588064776 PBVXMXMFMARQCM-SFHVURJKSA-N 472.592 2.320 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 1588224186 SBJORCKAOXZUSU-LJQANCHMSA-N 452.559 2.259 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1c2ccccc2C[C@H]1C 1588228256 CSCRCLLQMOABJW-TZIWHRDSSA-N 451.596 2.094 30 10 JEEE C#CCN(CC#CC)c1nnc(Cc2ccccn2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1588237840 GDFRBHSPIMPRPY-FQEVSTJZSA-N 460.504 2.380 30 10 JEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1Cc1c(Cl)c(C(F)(F)F)nn1C 1588245782 QQZUTZQOERODSD-UHFFFAOYSA-N 467.883 2.317 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCSC2(C)C)CC1 1594097295 QCGXFXAGMFSCGR-DLBZAZTESA-N 455.650 2.299 30 10 JEEE C=CC1CCN(c2nnc(-c3nn(C(C)C)c(=O)c4ccccc34)n2CCNS(C)(=O)=O)CC1 1594229713 SYBYXQXWRZTXFY-UHFFFAOYSA-N 485.614 2.188 30 10 JEEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1CCN(C(C)=O)CC1 1594963779 XAZHWPBNDIOSDO-IBGZPJMESA-N 462.595 2.467 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(S(=O)(=O)NC)c1 1595156063 FDPGMOMPFYUQMP-IBGZPJMESA-N 486.623 2.440 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(CC(C)C)C(=O)C1 1595475965 HILPWEQISRXEMY-KRWDZBQOSA-N 458.538 2.164 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2cc(C(F)(F)F)ccn2)C1 1595672431 AWGJXLIGGPNSRI-WMLDXEAASA-N 488.536 2.326 30 10 JEEE C=C(C)C[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1)C(=O)OCC 1598350189 HXHUHTULUUAFKQ-QAPCUYQASA-N 453.517 2.010 30 10 JEEE CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCCN1CCCC[C@H]1C 1616910012 ARBLHIYGCQUWKB-LJQANCHMSA-N 469.638 2.319 30 10 JEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1626331175 BMAJQFYSRDACOC-DOTOQJQBSA-N 450.561 2.083 30 10 JEEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H](CCC)C(=O)N2CCc3sccc3C2)n1 1631035618 MNLFYDMUPWAGHJ-HXUWFJFHSA-N 457.600 2.489 30 10 JEEE CC(=O)N1C[C@H](C(=O)NCCCc2nn(-c3ccc(C)cc3)c(N)c2C#N)Oc2ccccc21 1634947141 NXRVNZQJDAFOHR-HSZRJFAPSA-N 458.522 2.498 30 10 JEEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C(=O)OC)c2ccc(OC)c(Cl)c2)cc1 1638863261 IGSWFPVDCDQGAC-GOSISDBHSA-N 452.916 2.457 30 10 JEEE C#CCN1CCN(C(=O)CN2CCN(C(=O)OC(C)(C)C)C[C@H]2c2ccc(OC)cc2)CC1 1648185777 MWHYGGTWCQEJKM-QFIPXVFZSA-N 456.587 2.066 30 10 JEEE C[C@@H]1CCCN(C(=O)C2CCN(C(=O)CN3CCN([C@H](C#N)c4ccccc4)CC3)CC2)C1 1657631774 ASXUGPBQYQNBTI-ZJSXRUAMSA-N 451.615 2.366 30 10 JEEE COc1cc(NC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)ccc1OCCN(C)C 1662749587 FAULHQOXEOMBAA-FQEVSTJZSA-N 451.527 2.430 30 10 JEEE C#CCN(C(=O)NCC(=O)N(C)CCc1ccccn1)C1CCN(C(=O)OC(C)(C)C)CC1 1683858108 XJVUJDHKQWJHSZ-UHFFFAOYSA-N 457.575 2.127 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCCN1CCN(CC)CC1 1689848049 NOHAWZMRQYELBN-HXUWFJFHSA-N 476.629 2.068 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1CCc1ccc(OC)cc1OC)[C@H]1CCS(=O)(=O)C1 1689994265 VGLPLXZAKZTCLR-IBGZPJMESA-N 458.584 2.117 30 10 JEEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1CC1([S@](C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1689996061 DGRWLWKIFRNANL-GTJUCTONSA-N 490.651 2.012 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](CC)N1CCc2ccccc2C1 1690033387 WKFYCTAHYMBAIR-OFNKIYASSA-N 482.654 2.188 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1690089708 KHOBDWAZTKCFNX-RTBURBONSA-N 494.493 2.271 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccccc2OC)CC1 1690411876 WRBMINNEYMFOSE-FQEVSTJZSA-N 461.588 2.070 30 10 JEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1C[C@@H](OCC)C1(C)C 1690484750 CJRLIDHHFVNPHX-RCCFBDPRSA-N 455.625 2.217 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1690661047 TVOOHWRXLNLRRW-QQMNAOGKSA-N 459.522 2.244 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1690674788 FOIHPOYLDYTIPJ-HSZRJFAPSA-N 495.672 2.381 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1690676203 SHGIVBYGRWYPDR-SFHVURJKSA-N 482.006 2.216 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC(=O)Nc2ccc(F)cc2)C1 1690688559 XNXQQKMLUSTHTG-WMZHIEFXSA-N 459.522 2.489 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1690723002 DRLPTFZIPJXDIC-QGZVFWFLSA-N 457.560 2.325 30 10 JEEE CC[C@H](C)NC(=O)c1cccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)c1 1694209338 AXEPYQIBNPAJPN-UWJYYQICSA-N 484.626 2.497 30 10 JEEE CCC(O)(CC)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@](F)(C#N)C1 1694408726 FDICPKFIAUMBPK-FQEVSTJZSA-N 464.567 2.188 30 10 JEEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCCC(C)(C)C2)C1 1695945509 DLZYZUKKNATXEL-OAQYLSRUSA-N 485.658 2.457 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1CCC[C@@H]1NC(=O)NC1=O 1705480115 OUEJNUYSXHHRIS-NHYWBVRUSA-N 463.311 2.293 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CC(=O)N(C)Cc1ccccc1 1705588720 DFJMWRAKIWGSTR-UHFFFAOYSA-N 455.522 2.047 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1Cc1cc(C)no1 1705626950 OPOXHFAJIQJMRF-UHFFFAOYSA-N 461.526 2.496 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(N3CCO[C@H](C)C3)nc2)CC1 1705644225 JJTRWVWNTRXVGC-LJQANCHMSA-N 479.629 2.210 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2CC(c3ccccc3)C2)CC1 1705645129 LNEOOENJYHWNJR-FLPIEVNYSA-N 498.653 2.048 30 10 JEEE C#CCSCCn1c(Cc2ccsc2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1705662820 MDGVKCUEFPDOIR-NRFANRHFSA-N 458.613 2.111 30 10 JEEE C=CCCOCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1705826102 NJFCMPPFQOPRBZ-INIZCTEOSA-N 471.953 2.118 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c(-c2cnccn2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1)C(C)C 1705867982 YWSJSJQSWYZKLT-SVFBPWRDSA-N 466.590 2.368 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@]2(O)CCOC2)C1 1705929029 YJIADTYXIBXRIO-STSQHVNTSA-N 463.579 2.283 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1705934158 CPJWEFZJHNLYMM-UHFFFAOYSA-N 486.642 2.478 30 10 JEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2cc(OC)c(OC)c(OC)c2CC1 1722332864 POFLOHBIOSSGCQ-SFHVURJKSA-N 488.610 2.225 30 10 JEEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccnc(OC2CCOCC2)c1 1722346537 SFMKWOGLUBYFPO-UHFFFAOYSA-N 481.578 2.419 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1CCCn1cccn1)[C@@H]1CCS(=O)(=O)C1 1722370484 NWLCKFQALACPNZ-OAQYLSRUSA-N 482.610 2.387 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CCS(=O)(=O)c2ccccc2)CC1 1722446807 CFLOIXLJSVBKFY-UHFFFAOYSA-N 471.627 2.306 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2CCn2cc(C)cn2)CC1 1722449592 MNXMNVSYNLRISR-UHFFFAOYSA-N 461.570 2.071 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCn1cc(Cl)cn1 1722449997 XNNXCWIPRFFABC-UHFFFAOYSA-N 480.960 2.311 30 10 JEEE C#CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1722454495 MBQNBNREDXNPMI-UHFFFAOYSA-N 495.609 2.377 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)OC(C)(C)O2 1722467289 PYAVXCKQMLVKFW-IVZQSRNASA-N 459.572 2.436 30 10 JEEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1722481901 CFSGFUKVMFWPKG-SJORKVTESA-N 469.428 2.117 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1722511140 XBBNGERPNOJYAP-WIOPSUGQSA-N 481.645 2.236 30 10 JEEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 1722683031 ZTEIBJOZSYMLAZ-XJKSGUPXSA-N 457.503 2.254 30 10 JEEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(c2nc(C)no2)CC1 1722683672 VUIFWMHTFFZIND-UHFFFAOYSA-N 457.560 2.457 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1722723867 HJIQZNRUXGAXDV-QZTJIDSGSA-N 495.552 2.395 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1722725902 TUDXTTZTIBGAJA-OAHLLOKOSA-N 464.592 2.088 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1722727364 NRLANXREDUPEMX-UHFFFAOYSA-N 461.563 2.248 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](c1cccs1)N1CCCC1 1722862997 GKCRTPPFIYBGHF-ZACQAIPSSA-N 465.649 2.383 30 10 JEEE CC(C)(C)[S@@](=O)CCn1c(-c2cnccn2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1723022782 CWTCVQRWJQNUHZ-UMSFTDKQSA-N 478.626 2.476 30 10 JEEE CN(C)C(=O)CCCn1c(-c2ccc(F)cc2Br)nnc1N1CCO[C@H](C#N)C1 1729300432 CLZWEPGNZWPTKN-CQSZACIVSA-N 465.327 2.444 30 10 JEEE Cn1ccc(CCn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CCO[C@H](C#N)C2)n1 1729581036 ADIRRXCXNOWYBM-MSOLQXFVSA-N 456.551 2.055 30 10 JEEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccnc(Oc2ccccc2F)c1 1740599622 DERCKQYHTNDDJD-HNNXBMFYSA-N 458.519 2.332 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCCc2cc(OC)ccc21)[C@H]1CCS(=O)(=O)C1 1740616357 ZSWTUAHHMBKBKP-PMACEKPBSA-N 499.637 2.172 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H](C)Oc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1740625149 DFOGBLLTNGWZEE-ZCNNSNEGSA-N 488.610 2.275 30 10 JEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H](C1CC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1740625619 ORZBJJZURBHPIB-SFTDATJTSA-N 476.046 2.489 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC[S@](=O)CC 1740639508 VLLRYVPUBACMQO-JGCGQSQUSA-N 450.568 2.077 30 10 JEEE C#CCN1CCN(c2nnc(CSc3ccc(C)cc3)n2CCCN2CCOC2=O)CC1 1740700661 YSAIEDORJLWKFG-UHFFFAOYSA-N 454.600 2.476 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2C[C@@H]2CCCN2c2cc(NC)ncn2)CC1 1740702273 KLFNQMDGTHTNGA-QUCCMNQESA-N 479.633 2.258 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1CN1CCCC1=O 1740725863 VPKMYEHHRVURAH-HOYKHHGWSA-N 484.626 2.051 30 10 JEEE C[C@@H]1CN(CCCn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](CC(N)=O)C2)CCCO1 1743335514 DGODLNNZXGRMPL-TZIWHRDSSA-N 465.602 2.409 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1C[C@](C)(O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1748804537 ISNMSYZHAFTCNU-UZLBHIALSA-N 498.447 2.080 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1CCC(=O)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 1748810108 SDJRIROMMYMVPG-FQEVSTJZSA-N 469.611 2.283 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCO[C@@H]1CCCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1748817413 KJTMIPXPNSFUHE-XRXFAXGQSA-N 464.632 2.394 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1ccc(N(CC)CC)nc1)[C@@H]1CCS(=O)(=O)C1 1748817970 UEIOHKPJXVLVNI-LEWJYISDSA-N 486.642 2.088 30 10 JEEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H](C)N1CCOCC1 1748846645 JIHVUCJFWQBABJ-HXUWFJFHSA-N 470.618 2.186 30 10 JEEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1c(CC)nn(C)c1OC 1748867485 HMNFACRGWVDQDB-DEOSSOPVSA-N 454.575 2.134 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2CCCSC2)CC1 1748979671 ISFGLTRRYZTZTG-GOSISDBHSA-N 459.641 2.247 30 10 JEEE C#CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@H]1CCOC1 1749038607 UULAUKLKNJUKNX-MSOLQXFVSA-N 465.620 2.426 30 10 JEEE C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1)c1ccccc1 1749242157 DGPPDCUNUSIZKJ-VWPQPMDRSA-N 488.658 2.149 30 10 JEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(N3CCCCC3)nc2)CC1 1749286878 UFFVSTXDGLFPNL-SFHVURJKSA-N 459.620 2.478 30 10 JEEE C=CCN(CCc1ccco1)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCS(=O)(=O)C1 1749586491 XHVBQFGQWNGJOW-GOSISDBHSA-N 461.588 2.167 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1749739511 DSNNEAWXBWJCHZ-QZTJIDSGSA-N 464.563 2.460 30 10 JEEE CC(C)(Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(CC(N)=O)CC1)N1CCOCC1 1750524108 HDMLROQNWPPHCF-UHFFFAOYSA-N 451.575 2.019 30 10 JEEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H](c1ccc(C)cc1)N1CCOCC1 1760165084 ISJRVJPEMZDSLZ-WIOPSUGQSA-N 453.587 2.382 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccc(OCC(F)(F)F)nc1)[C@H]1CCS(=O)(=O)C1 1760191913 BGDMFLYUMCUOOO-DLBZAZTESA-N 499.515 2.141 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1CC1(N2CCC(OC)CC2)CCCC1 1760217927 ROEMCKVFYZTHQT-NRFANRHFSA-N 452.603 2.116 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCN(CC)C1 1760240625 XGDLEYWIPKIKNR-HKUYNNGSSA-N 462.595 2.009 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCc1cn[nH]c1 1760249379 KMNFMKSAZUMVKO-LJQANCHMSA-N 457.579 2.444 30 10 JEEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2CCN2CCOCC2(C)C)CC1 1760261800 CMFDAGGECBRLJI-UHFFFAOYSA-N 458.557 2.013 30 10 JEEE C#CCSCCn1c(N2CC[C@](C)(C(=O)NC)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1760286530 NIFNECMMOOSSAX-MFEFFIJZSA-N 476.647 2.378 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccn2C)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1760320925 ZNTIZUXFLNFQKB-NFBKMPQASA-N 469.634 2.255 30 10 JEEE C=C(C)COCCn1c(-c2ccc[nH]2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1760355145 ZWJQTTQAUOZYOR-IBGZPJMESA-N 455.607 2.435 30 10 JEEE C=C(Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C)c1ccccc1 1760363072 DFYVHYJNCMOJPT-GIVPXCGWSA-N 466.586 2.310 30 10 JEEE C=C(Cl)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@@](C)(C(=O)NC)C1 1760367283 GMWGVOVEDNGIJW-HXUWFJFHSA-N 466.011 2.262 30 10 JEEE C=CCOc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CCC[C@@H](C(=O)OC)C2)cc1 1760531613 URIYGFPCTIHKMV-LJQANCHMSA-N 453.543 2.403 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc(OC)c(C)c1 1760547910 UJWACACPPGESOQ-UHFFFAOYSA-N 461.588 2.068 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N(CC)C[C@H]1COc2ccccc2O1 1760555607 IVLLJOZJFREBKT-OALUTQOASA-N 476.599 2.439 30 10 JEEE CC(C)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCC(O)CC2)[C@@H](C)C1=O 1761120538 ARDYFIBZFLJBKO-FQEVSTJZSA-N 479.629 2.357 30 10 JEEE CCN(CC)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@](C)(O)C(C)C)CC1 1766567604 IBXVJQNUPBMMIC-VWLOTQADSA-N 467.618 2.214 30 10 JEEE COCCN(C)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@](F)(C#N)C1 1769791639 GGJBZMHDAZWXPU-JTSKRJEESA-N 465.574 2.370 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCNC(C)=O)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1 1862697922 VTEGTZRDXIFOHV-NRFANRHFSA-N 484.505 2.435 30 10 JEEE COc1ccc(CC(=O)Nc2c(C#N)nnn2-c2cc(OC)c(OC)c(OC)c2)cc1OC 1870147424 OQOXPFJODHVVOB-UHFFFAOYSA-N 453.455 2.363 30 10 JEEE C=CCn1cc(OCCC(=O)OCC)c(=O)cc1CN1CCN(Cc2ccc3c(c2)OCO3)CC1 1870451780 YZAUAZZESZHMMY-UHFFFAOYSA-N 483.565 2.413 30 10 JEEE C=CCn1cc(OCC(=O)Nc2cccc(C(C)=O)c2)c(=O)cc1CN(CCOC)CCOC 1870647013 MKKJELJRGGQJMV-UHFFFAOYSA-N 471.554 2.349 30 10 JEEE COc1ccc2c(/C=N/n3c(SCC(=O)NC4CCCC4)nnc(C)c3=O)c(C(=O)O)[nH]c2c1 1873494905 HVOOYIQERKRDHM-AUEPDCJTSA-N 484.538 2.168 30 10 JEEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)[C@@H]3CC(=O)N(c4ccc(F)cc4)C3)CC2)CC1 1889525397 SYRNXLNICOFQTP-JOCHJYFZSA-N 484.616 2.216 30 10 JEEE CC(=O)Nc1ccc(CC(=O)N2CCC(OCC#CCN3CCN(C(C)C)CC3)CC2)cc1 1890381251 DTDBEYGFJWMAMB-UHFFFAOYSA-N 454.615 2.225 30 10 JEEE CCN1CCN(CC#CCOC2CCN(C(=O)c3cccn(Cc4ccc(C)cc4)c3=O)CC2)CC1 1890458037 GXBQPWZKVKAHOF-UHFFFAOYSA-N 490.648 2.467 30 10 JEEE O=C(COc1c(F)c(F)c(F)c(F)c1F)N1CCO[C@H](C(=O)N2CCC(F)(F)CC2)C1 1891646450 SQEIFSDTVHBWGC-VIFPVBQESA-N 458.330 2.246 30 10 JEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](C(=O)N2CCC[C@@H](B3OC(C)(C)C(C)(C)O3)C2)C1 1892761251 OFSVMRFDCSNFCF-CVEARBPZSA-N 472.413 2.105 30 10 JEEE C=CCNC(=O)C[S@](=O)CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1990668275 KSVZWUPWUBDSGO-AUSOSSAASA-N 470.547 2.419 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCOCC[C@@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2180966781 REBFGUDOENMKII-JKSUJKDBSA-N 462.356 2.034 30 10 JEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)N1CCC=C(B2OC(C)(C)C(C)(C)O2)C1 2189206725 FLDFZUJYSOOENY-KRWDZBQOSA-N 484.424 2.201 30 10 JEEE Cc1cnc(N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2S(C)(=O)=O)c(B2OC(C)(C)C(C)(C)O2)c1 2241050686 ZLVSVCXMFODTIH-IAGOWNOFSA-N 481.424 2.134 30 10 JEEE Cc1cnc(O[C@@]2(C(N)=O)CCCN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2241099506 JCWZFWRXKDUYHE-QHCPKHFHSA-N 461.368 2.323 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@H](CNC(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2255709245 UCFCLBGIECOKLN-AWEZNQCLSA-N 452.382 2.413 30 10 JEEE CC[C@@]1(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)CCN(C(=O)OC(C)(C)C)C1 2256627519 VUIARRICDBJIHG-HXUWFJFHSA-N 452.386 2.235 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1COCC[C@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2256637782 ZOKZXHMRCWQYHB-CHWSQXEVSA-N 453.370 2.311 30 10 JEEE C[C@H]1CC[C@](NC(=O)OC(C)(C)C)(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2256665018 INAVKGNGXHBIKV-FKIZINRSSA-N 452.386 2.281 30 10 JEEE CC1(C)OB(c2ccnc(NCCn3cnc(I)c3)c2F)OC1(C)C 2266064343 ATTLBWWSSNYMPJ-UHFFFAOYSA-N 458.084 2.433 30 10 JEEE Cc1cc(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 2267150093 ASMCVZOUVHVIDF-JKSUJKDBSA-N 466.409 2.456 30 10 JEEE CC(C)(C)OC(=O)NC1(CO)CCN(C(=O)c2occc2B2OC(C)(C)C(C)(C)O2)CC1 2267179503 QXAWNXJPHAFRDX-UHFFFAOYSA-N 450.341 2.071 30 10 JEEE COCC1(CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)CN(C(=O)OC(C)(C)C)C1 2267560128 YXPUHBOLPQNLNG-UHFFFAOYSA-N 450.341 2.192 30 10 JEEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)[C@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C 2268633002 AKFCXSUCWVYVMQ-GDBMZVCRSA-N 466.409 2.376 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)N(C)[C@H](C)c1nscc1B1OC(C)(C)C(C)(C)O1 2268651935 CMLFGGPPSNOWPN-ZENOOKHLSA-N 469.413 2.236 30 10 JEEE CC(C)(C)OC(=O)N[C@H](C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)[C@H]1C[C@@H]2C[C@@H]2C1 2268709438 BMHYEFLKERUVIM-CRWXNKLISA-N 464.397 2.137 30 10 JEEE Cn1ncc(C(=O)N[C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)c1B1OC(C)(C)C(C)(C)O1 2281813479 CZQFEEMYEZYCGF-HLAWJBBLSA-N 450.392 2.360 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCN1CCN(C(=O)OC(C)(C)C)CC1 2281970622 FBNUZTRVYODDIU-UHFFFAOYSA-N 480.440 2.033 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1CC2(C1)C[C@H]2NC(=O)OC(C)(C)C 2282003684 DSKGCZYNMHKUTE-UVOCGCJZSA-N 460.384 2.203 30 10 JEEE Cc1ccnc(C(=O)N2CC[C@@H](NC(=O)C(F)(F)F)[C@H](C)C2)c1B1OC(C)(C)C(C)(C)O1 2282004839 MBIRYWAUSBDVIS-ZIAGYGMSSA-N 455.286 2.218 30 10 JEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)N(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2282014028 DMFZEQKONZMYQC-JKSUJKDBSA-N 460.384 2.493 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)C[C@@]12CCOC2 2282014505 QRANMLRSKQGJHH-JLCFBVMHSA-N 479.408 2.341 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)CC23CC3)n1 2282035118 QXYYPHFOUXSIIG-OAHLLOKOSA-N 460.384 2.381 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@@]2(CNC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)C1 2282067898 VRSNYGVHPSCTTG-FPTDNZKUSA-N 479.408 2.198 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@@H]1COCCN1C(=O)OC(C)(C)C 2282122776 LUFBPXUIXATJKN-QGZVFWFLSA-N 463.384 2.173 30 10 JEEE Cc1nc(C(=O)N2CCN(C)C[C@@H]2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2282140528 WEWGOZAXXWXQLY-HNNXBMFYSA-N 480.440 2.032 30 10 JEEE C[C@@H]1C[C@H](N(C)S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CN1Cc1ccccc1 2282350640 PUNJKUUPDDHFRC-MJGOQNOKSA-N 474.436 2.003 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2c(F)cccc2B2OC(C)(C)C(C)(C)O2)C1 2282465031 FBFWXEXLUWIHIW-RHSMWYFYSA-N 464.343 2.083 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C(F)F 2282485944 NIYMMLIHJROINS-WMZOPIPTSA-N 460.334 2.215 30 10 JEEE C[C@H]1CN(C(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)C[C@H](C)C1NC(=O)OC(C)(C)C 2282543781 LTJZIEWUEJYGKS-GJZGRUSLSA-N 462.400 2.341 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]3C[C@@H]32)n1 2282592948 KFQWLBPPUHFOJZ-OIISXLGYSA-N 460.384 2.330 30 10 JEEE Cc1ccnc(C(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)c1B1OC(C)(C)C(C)(C)O1 2282618598 NFSVKZMMUCFENS-RUZDIDTESA-N 451.376 2.056 30 10 JEEE CC(C)(C)OC(=O)NCC1(C(=O)N2Cc3ccc(B4OC(C)(C)C(C)(C)O4)cc3C2)COC1 2284032027 DBHUTQYRGOJVRW-UHFFFAOYSA-N 458.364 2.369 30 10 JEEE CN(Cc1ccccc1)C[C@H](NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1O)C(=O)O 2284493883 GOQOWTXVFGHNEY-IBGZPJMESA-N 454.332 2.006 30 10 JEEE C[C@]12CC[C@H]3[C@H](CC[C@]4(O)C[C@H](O)CC[C@]34C=NCCCO)[C@@]1(O)CC[C@H]2C1=CC(=O)OC1 2297748586 ZPYOXVKJNQBTTC-ZZBSSXHVSA-N 461.599 2.153 30 10 JEEE CC(=O)NCc1nnc(SCC(=O)Nc2ccccc2)n1N=Cc1ccccc1[N+](=O)[O-] 2330727001 DJHJXDUVHPSOAE-UHFFFAOYSA-N 453.484 2.435 30 10 JEEE COC(=O)c1ccc(CSc2nnc(CNC(C)=O)n2N=Cc2ccc(O)c(OC)c2)o1 2330752456 RSAZRAAOOPFTPW-UHFFFAOYSA-N 459.484 2.183 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H](C)C(C)(C)NC(=O)OC(C)(C)C)n1C 2337190328 MKVLZYMWHOHJCR-ZDUSSCGKSA-N 450.389 2.449 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2cc(F)c(B3OC(C)(C)C(C)(C)O3)cc2O)CO1 2339403283 QHGWBRALDKMNEY-GFCCVEGCSA-N 452.288 2.111 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2F)n1C 2362332481 NLFWLLIVMNAAOZ-LSDHHAIUSA-N 466.363 2.105 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C 2362350490 SLKILJYGPBHITG-HUUCEWRRSA-N 462.400 2.389 30 10 JEEE CCN(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nc(C)n1C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2362492372 BGYRRYPOSKFXGQ-MRXNPFEDSA-N 462.400 2.499 30 10 JEEE Cc1nnc(NC(=O)CSc2nnc(N/N=C/c3c(O)ccc4ccccc34)n2N)s1 20917062 GJJXLLOXDJJKPK-DNTJNYDQSA-N 455.529 2.187 30 10 JEEE CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)CSc2n[nH]c(N/N=C/c3cccnc3)n2)cc1 21038538 PWNLCCDUJHPAGD-WSDLNYQXSA-N 488.599 2.453 30 10 JEEE C=CCn1c(=O)c2ccc(C(=O)NC(C)C)cc2n2c(=O)n(CC(=O)Nc3cccc(Cl)c3)nc12 64581522 KNTCYUKNISVLPZ-UHFFFAOYSA-N 494.939 2.427 30 10 JEEE C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Br)[C@@H](O)C[C@]2(C)[C@]1(O)C(=O)CO 138095204 XNZYFPXDQDPHGR-XVRGNHGESA-N 453.373 2.321 30 10 JEEE COCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)N(C)CCO3)[C@@H]1c1ccc(OC)c(O)c1 170321640 MZUFGECSJJMAOD-NRFANRHFSA-N 454.479 2.454 30 10 JEEE C=CCNC(=O)CN1CCN(CC(=O)c2cc(C)n(C[C@@H]3COc4ccccc4O3)c2C)CC1 680938564 XHWWXKCIFUMORU-OAQYLSRUSA-N 466.582 2.047 30 10 JEEE CC1(C)OB(c2cc(NS(=O)(=O)CCN3C(=O)c4ccccc4C3=O)ccc2F)OC1(C)C 707705382 DCBJLNUFJPKJIM-UHFFFAOYSA-N 474.319 2.163 30 10 JEEE O=C1Nc2cc(Cl)ccc2[C@H]1C1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 727412942 KITBVZWIFPVWNH-HXUWFJFHSA-N 472.954 2.353 30 10 JEEE N#CC(C(=O)Nc1ccccc1)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CCc1ccccn1 729672259 FWNFATJOZQFRDQ-UHFFFAOYSA-N 492.564 2.337 30 10 JEEE C[C@H](OC(=O)CN(C)C1=NS(=O)(=O)c2ccccc21)C(=O)Nc1sc2c(c1C#N)CCC2 857614489 FEFFFQLCQTULMC-LBPRGKRZSA-N 472.548 2.060 30 10 JEEE Cc1nn(-c2ccccc2)c(N2CCOCC2)c1C=NNc1nc(S[C@@H](C)C(=O)N(C)C)n[nH]1 1084444587 IQKRYVHETUCDLJ-INIZCTEOSA-N 483.602 2.150 30 10 JEEE C#CCN(CC#CC)C(=O)N[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 1248431773 NDDTTXOCJQOZKV-QGZVFWFLSA-N 452.374 2.270 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCCOC(F)F)[C@@H]1CCS(=O)(=O)C1 1286384195 QCWPNDVNYGQYBD-MRXNPFEDSA-N 454.499 2.210 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@](C)(O)[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1286387739 UUTVHQZOGBAXHM-PNCHPQGNSA-N 460.600 2.378 30 10 JEEE C#CCN(c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@H](C)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1286389139 GCISYFROMSQPFD-NFBKMPQASA-N 495.653 2.488 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1Cc1cccc(NC(=O)[C@H]2CCCO2)c1)[C@@H]1CCS(=O)(=O)C1 1286391347 CQKQJNVTGZDXQA-FGZHOGPDSA-N 499.637 2.269 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(C)nc3ccccc23)n1CCN/C(O)=C1\N=CC=CC1=O 1286459965 SHQNEKWMRJLZKX-WJTDDFOZSA-N 485.548 2.414 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCOC3)n2C[C@H]2N(C)CCCC2(C)C)n1 1286471642 PWNPFCJPJGCAMD-IFMALSPDSA-N 469.634 2.385 30 10 JEEE C#CCN1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1286478813 CTHMVYRUZIKKJD-FQEVSTJZSA-N 499.660 2.063 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2CCN2CCOC(C)(C)C2)CC1 1286489881 GWWXAYWDXVOKBM-UHFFFAOYSA-N 480.613 2.030 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2Cc2ccc(NC(N)=O)cc2)CC1 1286492207 DRDBTTIQDRRXLW-HXUWFJFHSA-N 465.558 2.024 30 10 JEEE C=C(Br)Cn1c(N(C)CCS(C)(=O)=O)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1286547891 RAACFYOZIARVIR-OKILXGFUSA-N 492.440 2.438 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CCS(=O)(=O)C1 1286570219 QHXJNRRWYDRHAT-KRWDZBQOSA-N 480.660 2.384 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN([C@@H](C)c2cccc(OC)c2)CC1 1286820031 CEEGGABWPVOYLX-PZJWPPBQSA-N 489.642 2.275 30 10 JEEE CC(=O)N1CCC(Cn2c([C@H]3COCCN3C(=O)OC(C)(C)C)nnc2N(C)C[C@H](C)C#N)CC1 1286854971 AWKLUIXIANPEPQ-YLJYHZDGSA-N 489.621 2.441 30 10 JEEE Cc1nn(C)c(N2CCN(c3nnc(C(=O)NC(C)C)n3CCc3cccc(F)c3F)CC2)c1C#N 1290576291 CVAYVPBIMWZGBA-UHFFFAOYSA-N 497.554 2.177 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1300488090 AOZDUIXDEBKYNA-SFHVURJKSA-N 463.007 2.106 30 10 JEEE C#CCN(c1nnc(CC2CCCC2)n1CCn1cc(Br)cn1)[C@H]1CCS(=O)(=O)C1 1300502710 WFAKMLBGLLCXMX-SFHVURJKSA-N 495.447 2.297 30 10 JEEE C#CCN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1300626589 VACOMKXXWNXAPZ-XDOYNYLZSA-N 497.600 2.379 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc2[nH]c(C)c(C)c2c1 1300671697 MOZUCPPWEMVWGQ-LJQANCHMSA-N 455.584 2.413 30 10 JEEE C=C(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(C(=O)NCCOC)CC1 1300946081 FTYYRGABUPLEAH-UHFFFAOYSA-N 451.531 2.149 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@@H](OC)C1 1301484342 FQGXGVAMEZIJAK-CQSZACIVSA-N 450.337 2.244 30 10 JEEE COc1ccc(Br)c(-c2nnc(N(C)C[C@@H](C)C#N)n2CCNC(=O)c2cc[nH]n2)c1 1315362050 BKFOBLKEXLNSDT-ZDUSSCGKSA-N 487.362 2.465 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2CC2(C(N)=O)CCCC2)c1 1358901520 NMKNTWWDFAHCPL-UHFFFAOYSA-N 459.554 2.386 30 10 JEEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1C[C@]1(O)CCSC1)[C@H]1CCS(=O)(=O)C1 1358957726 YZVBZLXFDQIYON-MIZPHKNDSA-N 474.652 2.315 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1cc(OC)ccc1OC)[C@@H]1CCS(=O)(=O)C1 1358960277 AQGCOKWQPFBLMF-LJQANCHMSA-N 467.551 2.032 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1ccccc1OC(F)F)[C@H]1CCS(=O)(=O)C1 1358961950 HMRVJCFTHSMYKP-ROUUACIJSA-N 480.537 2.449 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCN1C[C@H](C)O[C@@H](C)C1 1359021302 KHZXBOJTAZHVQD-PMACEKPBSA-N 469.586 2.302 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@H](C)Oc2ccc(F)cc2)CC1 1359044246 AMSGDEZACMWILI-HKUYNNGSSA-N 455.534 2.354 30 10 JEEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1359057330 WZEYTDGWDPXASO-YPAWHYETSA-N 488.702 2.165 30 10 JEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCS(=O)(=O)c2ccccc2)CC1 1359173519 IEEOMVHTFXUOAD-KRWDZBQOSA-N 481.644 2.155 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1359293503 RPJUWYWUDLIIQP-DLBZAZTESA-N 479.578 2.263 30 10 JEEE CCN1CCN([C@H](C)Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1502310477 AETVYLVWAKSDJS-HOYKHHGWSA-N 471.581 2.430 30 10 JEEE CCOC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)N2CCOCC2)CC1 1502507074 CSJYSCSWSSACMO-UHFFFAOYSA-N 497.600 2.118 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCN1CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1507632878 BFFFZESGABTZCX-DENIHFKCSA-N 473.618 2.367 30 10 JEEE C#CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CCN(c2cnn(C)c2)CC1 1507757806 YVEJXEBBLOQZCM-UHFFFAOYSA-N 467.599 2.292 30 10 JEEE C#CCSCCn1c(N2CCCN(c3nccs3)CC2)nnc1[C@]1(OCC)CCOC1 1507758307 LOWZOYJSRSYBEV-NRFANRHFSA-N 462.645 2.470 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](CC)C1 1507799805 SKSFYWGHSZPZHE-ZRNYENFQSA-N 467.636 2.219 30 10 JEEE C=C(C)COCCn1c(-c2cc(Br)cn2C)nnc1N1CCN2CCOC[C@H]2C1 1507837888 WRZUTHOQWRLYRP-QGZVFWFLSA-N 465.396 2.160 30 10 JEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cn(C)nc2-c2ccccc2)CC1 1507879855 GAHUJZCPRZOWOG-KRWDZBQOSA-N 455.588 2.494 30 10 JEEE C=CC1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1507897253 MXCGXKKYCXHNQC-GOSISDBHSA-N 493.655 2.033 30 10 JEEE C=CCn1c(COc2ccc(Br)cc2)nnc1N1CCN(C(=O)COC)CC1 1508065462 BNKIEOBORRJNII-UHFFFAOYSA-N 450.337 2.101 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2CCc2ccc(S(C)(=O)=O)cc2)C1 1508117851 OUNGRYSRFBUYTD-GOSISDBHSA-N 454.556 2.163 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCCN(c3ccccc3C#N)CC2)n1Cc1ccc(F)cn1 1510206500 DGVDJNHVQKOUME-QGZVFWFLSA-N 498.588 2.059 30 10 JEEE COC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCCN(c2ccccc2C#N)CC1 1517736643 IAZAKENVGAQWAU-UHFFFAOYSA-N 451.575 2.414 30 10 JEEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(C)CCCO2)C[C@H]1C 1519222077 CYEBUQYQWGWIID-NTKDMRAZSA-N 454.575 2.455 30 10 JEEE CC1CCN(S(=O)(=O)c2ccc(C(=O)N3CCN(c4ccc(C#N)cn4)CC3)s2)CC1 1526475809 FRZNMZBHOWRFMC-UHFFFAOYSA-N 459.597 2.398 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCCO3)n2CC2([S@](C)=O)CC2)c1 1539044205 ZKHIJHPVGTZXMP-GTJUCTONSA-N 455.584 2.487 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1Cc1nnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1539210327 BQYAYCMICOOWSI-GOSISDBHSA-N 456.597 2.342 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1ccc(OCCC)nc1)[C@@H]1CCS(=O)(=O)C1 1539215451 CHEWHMVXNASCFH-HXUWFJFHSA-N 466.567 2.199 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@H](CC(C)C)N(C)C)[C@H]1CCS(=O)(=O)C1 1539216042 MWXQWASAMWNIFO-PMACEKPBSA-N 458.632 2.252 30 10 JEEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCNC(=O)C(C)C 1539346448 DJYDFSZIXWIXBJ-UHFFFAOYSA-N 459.620 2.168 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC(=O)NCC(F)(F)F 1539363694 UKYYXFRBPPNURW-UHFFFAOYSA-N 475.475 2.374 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC(=O)N2CCCCC2)CC1 1539437900 JKJCZESSXILUSE-UHFFFAOYSA-N 451.531 2.011 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CC(C)(C)c2ccc(OC)cc2)CC1 1539466552 BKVHZXIZHOEIMK-UHFFFAOYSA-N 480.613 2.369 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1csc(Br)c1 1540861938 MEDGUTZKVSACHI-UHFFFAOYSA-N 467.393 2.277 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1540864108 PHJKNAMJRGOHJV-IRXDYDNUSA-N 473.375 2.257 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(C)C)C(=O)C1 1540880925 UDOBCBIZABFEQP-HXUWFJFHSA-N 487.626 2.098 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC2(O)CCN(C(C)C)CC2)C1 1540896006 DFVBZPAAKYZEKJ-ACRUOGEOSA-N 463.623 2.019 30 10 JEEE C=CCSCCn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1540919199 JJHLETJKSSLCPA-IBGZPJMESA-N 475.688 2.296 30 10 JEEE CC(=O)N(C)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCCC2)CC1 1540933179 HDTVLRRAOXJZBE-UHFFFAOYSA-N 452.559 2.481 30 10 JEEE CC(C)(C)NC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2CCS(=O)(=O)CC2)CC1 1541198274 HSTMEFRFMFAHOL-UHFFFAOYSA-N 499.641 2.272 30 10 JEEE C#CCN1CCCN(C(=O)c2ccccc2NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 1544078796 MUWLJYDCKXUHMB-UHFFFAOYSA-N 456.524 2.485 30 10 JEEE COC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)CC2CC2)C1 1554514200 FLTMFIVOQUPLIP-LJQANCHMSA-N 457.556 2.031 30 10 JEEE COCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1555561520 BTUIZGFHOMTKHA-UHFFFAOYSA-N 457.336 2.275 30 10 JEEE C#CCC1(O)CCN(C(=O)[C@@H](NS(=O)(=O)c2ccc(Br)cc2)C(C)C)CC1 1558103705 SMECXTUQISOYKJ-KRWDZBQOSA-N 457.390 2.129 30 10 JEEE N#C[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)CNS(=O)(=O)c2cccc(F)c2)CC1 1568490098 DLEKGVUTKBXDLZ-IBGZPJMESA-N 450.923 2.166 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1CC(F)(F)CO1 1587567629 IEIDRTIHAOCQKT-UKRRQHHQSA-N 452.531 2.429 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CCC(=O)NC2CCCCC2)c1 1587683984 QGQSXZVLQBAKCX-UHFFFAOYSA-N 493.612 2.312 30 10 JEEE C#CCN(c1nnc(COCC)n1C[C@@H](c1cccs1)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1588074082 IKNBSGAMKNAIHI-OALUTQOASA-N 477.656 2.340 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)COC)CC1 1589515937 UPXQUOSRSUMQJH-KNQAVFIVSA-N 455.559 2.230 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)c1ccco1 1589545297 NAOAVGNWCGSEBV-HNJRGHQBSA-N 479.603 2.383 30 10 JEEE C=C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1594024660 ZCMFFIULBXTUTE-IESBNPPRSA-N 456.547 2.002 30 10 JEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 1594733168 OGUUTKVZMFVJCI-IBGZPJMESA-N 476.559 2.048 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccc(C)o1)N1CCOCC1 1595219190 RPGFGRQFDAPYKO-WOJBJXKFSA-N 475.615 2.334 30 10 JEEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(OC)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1595250904 LVKVCGPMDFMXDV-HSZRJFAPSA-N 472.567 2.331 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1595467385 SSMKZNFZZMOQEH-OSWQYVSFSA-N 482.585 2.222 30 10 JEEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)C[C@H](C)c1nccs1 1595545046 QGBKILODNHQKQN-KRWDZBQOSA-N 481.630 2.451 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cc(Cl)c3c(c2)OCCO3)C1 1595672416 AROPUKFXEYGHIW-GOEBONIOSA-N 498.005 2.143 30 10 JEEE CC(=O)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)C(C)(C)C)CC1 1596095812 GIWYTPGZCPEIBA-UHFFFAOYSA-N 458.588 2.089 30 10 JEEE CC(C)C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)N1CCOCC1)N(C)C 1603200617 GLCGCSHAEQZAHI-NRFANRHFSA-N 453.591 2.088 30 10 JEEE CC(C)CC[C@](C)(O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1606757609 FCGAZQRDQKIXSZ-VWLOTQADSA-N 480.617 2.295 30 10 JEEE C[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1)Oc1ccc(Cl)cc1 1611582881 DDCTYHJFKAUXAR-IIDMSEBBSA-N 465.963 2.030 30 10 JEEE COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)CN2CCCCC2)CC1 1619548008 CBDJJSCMJHSCLU-FQEVSTJZSA-N 465.602 2.234 30 10 JEEE CC(C)N(Cc1nc(O)c2ccccc2n1)C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 1630912471 HMOVQXVUOKFAFH-HNNXBMFYSA-N 453.524 2.311 30 10 JEEE C=CCn1c(S)nc2cc(C(=O)NC[C@@H]3CCCN(C(=O)C(F)(F)F)C3)ccc2c1=O 1640239207 ITGZHTWLYMIVFE-LBPRGKRZSA-N 454.474 2.402 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2CCCN2C[C@H](C)O[C@@H](C)C2)c1 1689870310 JSEOHEIDTFHRRF-PMACEKPBSA-N 488.596 2.291 30 10 JEEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1CC[C@@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1689980465 SKQCQMRRZQPEIW-YPAWHYETSA-N 472.611 2.252 30 10 JEEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCc1ccccc1C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1689987899 FABGSSHSVCIZFW-SJLPKXTDSA-N 495.527 2.117 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H](CC)N1CCCC1 1690006506 RBWSAQFFVCUXBZ-OAQYLSRUSA-N 468.627 2.143 30 10 JEEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2C[C@@H](C(C)C)N2CCOCC2)CC1 1690130869 PCLLKJJSGLWEEE-DEOSSOPVSA-N 450.631 2.175 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(OC)c(Cl)c2)CC1 1690134893 JLOYTNSOBAIEBE-UHFFFAOYSA-N 484.988 2.190 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2CC2(COC)CCOCC2)CC1 1690148342 DCSSGJKEHDGEIX-UHFFFAOYSA-N 495.624 2.287 30 10 JEEE C=C1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1690369181 AUYPHFVTXISPLP-UHFFFAOYSA-N 476.599 2.449 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1690665928 UFCKZWBXDAEAOQ-HZPDHXFCSA-N 492.330 2.133 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1690674849 HORFGNTUJZXDQS-OAQYLSRUSA-N 482.629 2.466 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCN(C)C(=O)[C@@H]1C 1690730205 ZVQSVHNPHDRPRU-SFHVURJKSA-N 489.642 2.422 30 10 JEEE CC(C)(C)NC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCCS2(=O)=O)CC1 1691210839 BTTSFHNCIRBJPA-FQEVSTJZSA-N 499.641 2.414 30 10 JEEE CCS(=O)(=O)N(C)CCCn1c(-c2cccc(C#N)c2)nnc1N(C)C[C@@H]1CCCCO1 1696489200 GAWIAAZEDIUMMG-FQEVSTJZSA-N 460.604 2.494 30 10 JEEE C#CCCCn1c(Cc2csc(C)n2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1705536851 YGKFMTRVZLHFAQ-UHFFFAOYSA-N 450.634 2.298 30 10 JEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(N(C)C)nc1 1705551348 MBWVEZFVRGAFRF-SFHVURJKSA-N 455.563 2.165 30 10 JEEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1CC1=CCCOC1)[C@H]1CCS(=O)(=O)C1 1705568615 RLFFTBNDBMHRSL-NRFANRHFSA-N 470.595 2.447 30 10 JEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 1705664465 PVCZMZGZYRJGKC-LJQANCHMSA-N 481.626 2.325 30 10 JEEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCCN(C(=O)C2CC2)CC1 1705732231 SEYURURCKCSXQQ-UHFFFAOYSA-N 487.626 2.390 30 10 JEEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1705738958 QAKPTPWVLNBUJZ-UHFFFAOYSA-N 464.530 2.486 30 10 JEEE C=CC[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](COC)C1)c1ccccc1 1705797467 WXGVAYRYUCHPQA-CEMLEFRQSA-N 489.642 2.444 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CCN(c2ncccn2)CC1 1705908161 KANKZOFVGFICCD-UHFFFAOYSA-N 464.599 2.298 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H]2CCCOC2)nnc1N1CCC(OCC(N)=O)CC1 1705913262 JFFWAKPYGNTFIL-IBGZPJMESA-N 455.559 2.256 30 10 JEEE CC(C)(C)OC(=O)NCC(F)(F)Cn1c([C@H]2CCCCO2)nnc1N1CCO[C@@H](C#N)C1 1706165375 IEXFDUNLFBRLMB-LSDHHAIUSA-N 456.494 2.408 30 10 JEEE CCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1709441891 DUEQWAMSVKSNAO-REWPJTCUSA-N 472.615 2.372 30 10 JEEE C#CCN(c1nnc(CCOc2ccccc2)n1CCc1nccs1)[C@@H]1CCS(=O)(=O)C1 1722372586 ZWEGDRGBIUCKCQ-GOSISDBHSA-N 471.608 2.226 30 10 JEEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccccc1N1CCOCC1 1722391171 IUANIWMEYFKPLM-SANMLTNESA-N 463.582 2.278 30 10 JEEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@H](c1ccccc1)N1CCOCC1 1722391831 VUMKWHATCCSQLV-SQHAQQRYSA-N 477.609 2.467 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1722493528 ZBLOGOXQQZTZSO-PDSFRDGWSA-N 474.606 2.469 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCS(=O)(=O)C1 1722512298 DNNMNFREXMEBLZ-MRXNPFEDSA-N 456.572 2.029 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1722519767 RIENYDBLYYBKEW-HXUWFJFHSA-N 458.632 2.141 30 10 JEEE C=CCN(CCOC)c1nnc(-c2cnn(C)c2)n1C[C@@H]1C[C@@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1722678154 UNUBSDXORKQULQ-YZGWKJHDSA-N 487.605 2.342 30 10 JEEE C=CCN(CCOC)c1nnc(-c2cc(C)nc3ccccc23)n1CC1(O)CCS(=O)(=O)CC1 1722679348 YAFCFYWTRTTXQB-UHFFFAOYSA-N 485.610 2.380 30 10 JEEE C=CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@]1(O)CCC[C@H]1C 1722680127 XZJQHDAZXMKCIX-VGSWGCGISA-N 462.620 2.428 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCN(c2nc(C)cc(OCC)n2)CC1 1722699203 DJGISXYDHJURPM-UHFFFAOYSA-N 490.612 2.303 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1722725353 KEHZGYGCLXITFB-MRXNPFEDSA-N 465.551 2.400 30 10 JEEE CCc1nc(C)c(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(NS(C)(=O)=O)CC2)o1 1727447658 CCKCJAQWUMRWFN-UHFFFAOYSA-N 469.571 2.242 30 10 JEEE CCOC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCN2CCCO)C1 1728708371 AISYTRKFKLVTRO-VXKWHMMOSA-N 481.601 2.378 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(=O)N(C)Cc1ccccc1 1740547369 SPQLEPLRBQMUQX-SFHVURJKSA-N 479.610 2.355 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CC[C@@H]2CCCCO2)c1 1740561836 JJERBPBDJKANCF-FQEVSTJZSA-N 452.559 2.432 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2CCN2CCSCC2)c1 1740563782 XOBLVTKDUNFUNY-UHFFFAOYSA-N 463.611 2.389 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@]1(N(C)C)CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1740627750 SEVBRCUVFZIYHF-BLRYILKCSA-N 477.675 2.309 30 10 JEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@](C)(O)c1cccs1 1740637106 QKWAFQFIXALWJE-JOCHJYFZSA-N 468.608 2.280 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1740751116 HMSPYPSVQYFKCP-YLJYHZDGSA-N 496.678 2.038 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCN(c3ncccc3C(N)=O)CC2)nnc1C(C)(C)C 1740765992 FNQPSOKPROTWGR-HKUYNNGSSA-N 453.591 2.377 30 10 JEEE C=C(C)COCCn1c(N2CCN(C(=O)c3ccco3)CC2)nnc1[C@@]1(OCC)CCOC1 1740799184 HJWZADRBWIZIRN-HSZRJFAPSA-N 459.547 2.078 30 10 JEEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(F)(F)C1(OC)CCOCC1)C1CC1 1740910590 QKIOHLPCHIZKIN-HNNXBMFYSA-N 460.547 2.166 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCO[C@H](C(F)(F)F)C1 1740988942 UOUYTIXDOJTHRT-INIZCTEOSA-N 460.478 2.322 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@H](C)CC1 1740990195 LUMSXUSYJNIBTD-KRWDZBQOSA-N 480.660 2.465 30 10 JEEE CC(=O)N1CCN([C@@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CC(F)(F)F)C[C@@H]2C)CC1 1741057446 AIXFVXQUYNODQN-HNAYVOBHSA-N 461.492 2.368 30 10 JEEE CN(C)C(=O)COc1cccc(Cn2c(-c3cccn3C)nnc2N2CC[C@@](F)(C#N)C2)c1 1747546324 CYHUZPMMMUYHED-HSZRJFAPSA-N 451.506 2.241 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H](C)SC)[C@H]1CCS(=O)(=O)C1 1748808682 FYJBCGJHXYNOKC-WBVHZDCISA-N 462.597 2.095 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1nncn1-c1ccccc1 1748875100 JGJBBKUZYRCHCI-UHFFFAOYSA-N 451.494 2.017 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC2(O)CCOCC2)CC1 1749006152 JLMMDGMLNNBZOB-UHFFFAOYSA-N 487.988 2.114 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(OC)cc3)n2CC(C)(C)OC)CC1 1749019437 UDIWZEARKHJAGU-UHFFFAOYSA-N 455.559 2.257 30 10 JEEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCN1CCN(CC)CC1 1749493604 HSEHIVBJPNUBHM-HXUWFJFHSA-N 477.654 2.236 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCC2(CC1)COC(=O)N2 1749651596 YRDVWGSOQWRCIW-KRWDZBQOSA-N 484.557 2.198 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 1749683509 VZIDACGXYFGUQI-ZJSXRUAMSA-N 494.640 2.390 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1749730546 IBJXSXGAPUDCAP-SVMVAKDDSA-N 461.588 2.022 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1c1cccc(F)c1 1749734975 PADKSUTUOAQPDH-PKOBYXMFSA-N 482.603 2.262 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1749738075 DOIBAGVQYDOYFM-WMZHIEFXSA-N 460.600 2.048 30 10 JEEE CC(=O)N1CCC(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)C[C@H]2CCN(C(C)=O)C2)CC1 1749811717 CBHQFSYDJOPBIB-HSZRJFAPSA-N 493.612 2.292 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCNC(=O)c1ccco1 1750060312 GEMJVFFOUDASGL-HNNXBMFYSA-N 469.933 2.480 30 10 JEEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H](CC(C)C)NC(=O)OCC 1760168364 YWKMRWHIVNFZKI-GOSISDBHSA-N 451.535 2.151 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1SCCc2ccccc21 1760219470 FRJCFHAQRZOTRZ-FGZHOGPDSA-N 499.662 2.105 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCCCO2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1760248786 QKTJCGBLQNEIGO-RBUKOAKNSA-N 454.579 2.106 30 10 JEEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CCNC(C)=O)Cc1ccc(C)s1 1760346417 XZCKAXJXNDTGPF-QGZVFWFLSA-N 451.618 2.269 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1760503134 ABFONJGFSFCQII-AQNXPRMDSA-N 467.636 2.015 30 10 JEEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCCN(C(C)=O)C1 1760503786 POLRKHUYBHSOBQ-LJQANCHMSA-N 479.585 2.089 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(F)cccc1Cl 1760505012 IIHAXYBYLJHNBJ-SFHVURJKSA-N 487.985 2.091 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(OC)cc2)nnc1N1C[C@@H](C)O[C@H](C)C1 1760558130 HAMIYAYHPACFBA-IAGOWNOFSA-N 450.561 2.080 30 10 JEEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(C1)OCc1ccccc12 1760559864 LSZOFWXIOGNQEH-KKSFZXQISA-N 463.629 2.443 30 10 JEEE CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@](C)(O)c2ccsc2)CCO1 1760666365 FBAMTTSMVLJABE-OFNKIYASSA-N 466.567 2.127 30 10 JEEE CCc1ccccc1OCc1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@H]1CC(=O)N(CCOC)C1 1762661297 CULRRTUDUAYFPP-MHECFPHRSA-N 470.549 2.356 30 10 JEEE Cc1noc(CCCn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H](CN(C)S(C)(=O)=O)C2)n1 1762675602 GFRVDBPVRDZCNM-LJQANCHMSA-N 498.613 2.249 30 10 JEEE CO[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1)C(C)C 1769631640 GZHOSBNVLMROOK-NRFANRHFSA-N 499.597 2.128 30 10 JEEE COc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CCC(C#N)CC2)c(OC)c1OC 1770236533 HOWWXRPXFIJXKC-UHFFFAOYSA-N 454.531 2.215 30 10 JEEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2CCN(C(=O)OC)CC2)C[C@@H](C)O1 1770960211 FQRSWGOKZDRNEW-GCJKJVERSA-N 498.584 2.447 30 10 JEEE Cn1cc(C(=O)N2CCN(Cc3ccc(C(=O)Nc4ccc(C#N)cc4)cc3)CC2)ccc1=O 1860850855 OFPFQLJODOUMBS-UHFFFAOYSA-N 455.518 2.467 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCO)[C@H]2c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1C 1862410254 FBBHZZNKTZVKMN-FQEVSTJZSA-N 470.434 2.254 30 10 JEEE CCOC(=O)c1ccccc1NC(=O)[C@@H](CO)NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1 1866865775 AIUUACNTWRXBBP-WOJBJXKFSA-N 484.578 2.317 30 10 JEEE COc1ccc(OCCCC(=O)Nc2c(C#N)nnn2-c2ccc3c(c2)C(=O)N(C)C3=O)cc1 1870146830 KJLXYMOBXWERNV-UHFFFAOYSA-N 460.450 2.171 30 10 JEEE N#Cc1nnn(-c2ccc(F)cc2)c1NC(=O)CN1C(=O)c2ccc(Br)cc2C1=O 1870155344 IILINNHXUBQWIS-UHFFFAOYSA-N 469.230 2.275 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)N(C)C[C@H]2CCCO2)cn1CCCOCC 1870549790 HZJJUWHRVYCAHI-JOCHJYFZSA-N 461.603 2.465 30 10 JEEE C#CCOc1cn(CCc2ccc(S(N)(=O)=O)cc2)c(CN(CC)CCc2ccncc2)cc1=O 1870561259 FRUIMJIMELFDKD-UHFFFAOYSA-N 494.617 2.210 30 10 JEEE COc1cc(/C=N/n2c(Cc3ccc(OC)c(OC)c3)nnc2SCC(N)=O)ccc1O 1874238245 YFJNLNNCPXMNHE-FOKLQQMPSA-N 457.512 2.060 30 10 JEEE Cc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N=C3CCCN3C)cc2)cc1C(=O)O 2040797449 DPJPIHDFFWWTKV-UHFFFAOYSA-N 451.526 2.307 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCOC[C@H]1CC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2180985635 RRQCYHFEUFMEPO-ZBFHGGJFSA-N 462.356 2.034 30 10 JEEE CC(C)(C)OC(=O)N1CCCN1S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2247896305 YEMCJVMCFQDIMO-UHFFFAOYSA-N 459.399 2.130 30 10 JEEE CC1(NC(=O)OC(C)(C)C)CN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2247953035 RBBZFVNGBKITSW-UHFFFAOYSA-N 458.411 2.335 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1COCCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2255625560 SLXPBOCXRCEULN-HNNXBMFYSA-N 452.382 2.413 30 10 JEEE CC(C)(C)OC(=O)N[C@]1(CNC(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)CCOC1 2255709669 ZGOCAJUMVTVVCH-NRFANRHFSA-N 452.382 2.461 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CNC(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2255709682 ZOWXBXGOGKPDGU-HIFRSBDPSA-N 452.382 2.005 30 10 JEEE CO[C@@H]1C[C@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)s2)N(C(=O)OC(C)(C)C)C1 2256623499 QVGAJWXBBWMGHG-CHWSQXEVSA-N 453.370 2.405 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2[C@H](NC(=O)c3sccc3B3OC(C)(C)C(C)(C)O3)CO[C@H]2C1 2267594058 PEEGDDKLIYUFTI-IMJJTQAJSA-N 464.393 2.411 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)CC[C@H]1CO 2267612716 NJFACCJYCWEGLV-LSDHHAIUSA-N 466.409 2.395 30 10 JEEE CC(C)(C)OC(=O)NC1(CNS(=O)(=O)c2ccc(F)cc2B2OC(C)(C)C(C)(C)O2)CC1 2267708350 INXIGOBPVUAGRG-UHFFFAOYSA-N 470.372 2.461 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](CC(=O)NCc2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2268668932 JHTGLEOBGHXSQG-GDBMZVCRSA-N 466.409 2.281 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCN(c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C[C@H]1CO 2269004298 BSGRHKKWVOAYEA-YOEHRIQHSA-N 451.348 2.232 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@H](COc3ccc(B4OC(C)(C)C(C)(C)O4)cn3)O[C@@H]2C1 2279898305 SVMHYJXLQWDJMD-FGTMMUONSA-N 462.352 2.163 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1COC[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1F 2281775552 HGPBHPMFMCPNHL-KDOFPFPSSA-N 464.343 2.394 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1COCCN1C(=O)c1cccc(F)c1B1OC(C)(C)C(C)(C)O1 2281786389 FQVIEHURQRQXAO-OAHLLOKOSA-N 464.343 2.491 30 10 JEEE CO[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)N(C(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)C1 2281797178 QYGLFBUMQFLFKD-HOTGVXAUSA-N 461.368 2.135 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2CN(C(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)C[C@@H]21 2281926174 KXWXHCTVROQGJB-BHYGNILZSA-N 460.384 2.474 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N=[S@@]1(=O)CC[C@@H](NC(=O)OC(C)(C)C)C1 2281971378 HPTPZVGTLBJCLU-LHRCYKKBSA-N 482.412 2.107 30 10 JEEE CC(C)(C)OC(=O)NCC1CCS(=O)(=NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CC1 2281982705 OXFNVLHKPXJHSF-UHFFFAOYSA-N 482.412 2.252 30 10 JEEE CC(C)(C)OC(=O)N(CCO)[C@@H]1CCCN(C(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2282021678 OJXKIENDQBYGEZ-OAHLLOKOSA-N 481.424 2.276 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 2282036055 CZZRKCOIGQLIJX-ZSHCYNCHSA-N 460.384 2.095 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1 2282039580 XITFAUCHVPUELX-RDJZCZTQSA-N 460.384 2.191 30 10 JEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1F 2282426220 ZOILHDIICJZHPR-IAGOWNOFSA-N 464.343 2.489 30 10 JEEE CC1(C)OB(c2cscc2S(=O)(=O)N2C[C@H]3OCCN(Cc4ccccc4)[C@@H]3C2)OC1(C)C 2282497448 PWYGKQQOALFIIN-WOJBJXKFSA-N 490.456 2.321 30 10 JEEE C[C@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)C[C@@H](C)[C@@H]1NC(=O)OC(C)(C)C 2282532843 CVEDGQXCRGBDGY-QLPKVWCKSA-N 462.400 2.341 30 10 JEEE CC(C)(C)OC(=O)NCCN(CCO)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn1C1CC1 2282545069 PXSSIIBWOMPITO-UHFFFAOYSA-N 463.384 2.081 30 10 JEEE Cc1nn(C)c(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H]3CC[C@@H]32)c1B1OC(C)(C)C(C)(C)O1 2282585617 NRGSVLLQVUKAME-HOTGVXAUSA-N 460.384 2.252 30 10 JEEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@H](COCc3ccccc3)CC(=O)O)cc2)OC1(C)C 2284410204 ADEYVNWNSJQDIO-IBGZPJMESA-N 475.372 2.324 30 10 JEEE Cc1ccc(O)c(C=Nn2c(SCC(N)=O)nnc2[C@H]2CC(=O)N(Cc3ccccc3)C2)c1 2325917411 NYIYWFRVWPXQRG-SFHVURJKSA-N 464.551 2.268 30 10 JEEE CCOc1ccc(C=CC(=O)[C@@H]2CNCC[C@H]2NC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)cc1 2328155867 VINNHEZUQXLIFA-NLSFWIRASA-N 475.545 2.447 30 10 JEEE CC(=O)NCc1nnc(SCC(=O)NCc2ccccc2)n1N=Cc1cccc([N+](=O)[O-])c1 2330794162 NROYQGBIPCAGQA-UHFFFAOYSA-N 467.511 2.113 30 10 JEEE CSC1(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)c(C)n2)CN(C(=O)OC(C)(C)C)C1 2336968403 BGUZZSLYNXKPGQ-UHFFFAOYSA-N 464.397 2.375 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCc1cnc(NC(=O)OC(C)(C)C)s1 2337197781 BBMHBJHEOSFWPW-UHFFFAOYSA-N 463.369 2.453 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2C[C@H](NC(=O)c3ncc(B4OC(C)(C)C(C)(C)O4)cn3)C[C@@H]21 2359267006 JOJAIJKICBMWCE-HJWJTTGWSA-N 458.368 2.197 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)CS(=O)(=O)CC(=O)Nc3ccc(Cl)cc3)cc21 19978080 TWRPRKSTBGOINU-UHFFFAOYSA-N 462.911 2.488 30 10 JEEE CCN1C(=O)[C@@]2(/C(=C(/O)c3ccc(C)o3)C(=O)C(=O)N2CCCN2CCOCC2)c2ccccc21 103115921 AWIQLOBTIORRMB-RFJJORBGSA-N 479.533 2.253 30 10 JEEE CCc1nnc(NC(=O)C[S@@](=O)CC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)s1 586347654 KHNCKVIURRJONW-WIONRGSFSA-N 451.599 2.484 30 10 JEEE COC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC1 603874539 FQLJKCJTIPUDRW-QFIPXVFZSA-N 489.981 2.185 30 10 JEEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CC(C)(C)CN(C)C 729672269 GINPYGKURADFLA-QGZVFWFLSA-N 465.623 2.264 30 10 JEEE C=CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC(=O)N(C)C[C@H]1C(=O)O 757526010 KKXNWDHCQLVVGX-YADHBBJMSA-N 477.517 2.224 30 10 JEEE C#CC[C@@H](NC(=O)c1cn(C)nc1[C@H]1CCCN(C(=O)OCc2ccccc2)C1)C(=O)OC 1161364392 CFMBNCZTLVPGIM-AZUAARDMSA-N 452.511 2.231 30 10 JEEE C#C[C@H](NC(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F)c1ccc(Br)cc1 1217656447 DLFGZMOWPUTAKA-STQMWFEESA-N 456.284 2.245 30 10 JEEE C#CCN(c1nnc(-c2cccc3cccnc23)n1CCC(=O)NCCC)[C@@H]1CCS(=O)(=O)C1 1286388825 VTGDJNCSGATSOZ-LJQANCHMSA-N 480.594 2.036 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H](Cc1ccccc1)OC)[C@@H]1CCS(=O)(=O)C1 1286393524 LIONUHPUYIYTFZ-VSKRKVRLSA-N 472.611 2.057 30 10 JEEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2c(C)cccc2C1 1286607891 LJCOSNQCLPYFSQ-OAQYLSRUSA-N 475.615 2.075 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1ccnn1C)C1CC1 1286673068 UAOAIGNHXPZHAP-IBGZPJMESA-N 477.635 2.116 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC(N(C)c2ccccc2)CC1 1286813924 FZWQRCWRYKTQBZ-UHFFFAOYSA-N 474.631 2.122 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCCc2ccccc2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1286823316 UJQBUGFOSVJTEQ-RTBURBONSA-N 460.556 2.168 30 10 JEEE C=CCS(=O)(=O)CCn1c(CSc2ccc(C)cc2)nnc1N1CCS(=O)CC1 1286823728 PXVNHZPNXQWBNY-UHFFFAOYSA-N 454.643 2.048 30 10 JEEE C=CCSCCn1c(N2CCN(c3nccnc3C)CC2)nnc1[C@@]1(OCC)CCOC1 1286836365 LRNRAINCVGSYCC-JOCHJYFZSA-N 459.620 2.274 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(N(CCC#N)CC2CC2)n1CCNS(C)(=O)=O 1287050663 FOWVTKWNVDXVGM-KRWDZBQOSA-N 481.623 2.029 30 10 JEEE COc1ccc(OCc2nnc(N3CCC(CC#N)CC3)n2CC2(C(N)=O)CCOCC2)cc1 1300276495 ABGQSNNUBJITJQ-UHFFFAOYSA-N 468.558 2.278 30 10 JEEE C#CCCCn1c([C@H]2CCCCO2)nnc1N1CCN(C[C@@H](O)COc2ccccc2)CC1 1300409750 UKEYAUZYZCBJAJ-FYYLOGMGSA-N 453.587 2.495 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CC(F)(F)Br)[C@@H]1CCS(=O)(=O)C1 1300481910 CNWVHPRPTXIMMO-GFCCVEGCSA-N 463.304 2.461 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCc1cccc(C)n1)[C@@H]1CCS(=O)(=O)C1 1300493131 QTBGKBDAEHEAIQ-HXUWFJFHSA-N 450.568 2.221 30 10 JEEE C#CCN(c1nnc([C@@H]2COc3ccccc3O2)n1CCN(C)CCCC)[C@@H]1CCS(=O)(=O)C1 1300495682 JJIUBFGLXRSMMX-KNQAVFIVSA-N 487.626 2.149 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccnc(OCC(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 1300506214 PJVTZWQHHVPPDU-DLBZAZTESA-N 499.515 2.141 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccoc1C 1300885024 NNXWFIZSFAJJSC-UFYCRDLUSA-N 479.603 2.130 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C)c2ncc(C)s2)C1 1301539838 WSTQVLDXUVJJDP-CWRNSKLLSA-N 454.622 2.238 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(Cc2ccccc2C)CC1 1301596583 SPQCDWGYHMWKGZ-OAQYLSRUSA-N 459.616 2.361 30 10 JEEE CC(=O)NC1CCC(N(C)c2nnc(-c3cccc(C#N)c3)n2CCCS(C)(=O)=O)CC1 1301802197 DMZUAGHBTSMCDO-UHFFFAOYSA-N 458.588 2.135 30 10 JEEE C#C[C@H](C)N(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1C[C@]1(O)CCS(=O)(=O)C1 1358895678 OHMULUYKOSHTLI-HTAPYJJXSA-N 481.018 2.259 30 10 JEEE C#CCCCCn1c(N2CCC(C(=O)Nc3nncs3)CC2)nnc1[C@]1(OCC)CCOC1 1358917757 ZXIODPSDRNNRHU-QFIPXVFZSA-N 473.603 2.440 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1cccc(C(=O)NCCC)c1)[C@H]1CCS(=O)(=O)C1 1358960684 JMALRMHYSMBLHI-FQEVSTJZSA-N 480.594 2.088 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N(C)Cc1ccccc1 1358994413 MZRBUHPJVMWGST-IFMALSPDSA-N 453.612 2.164 30 10 JEEE C#CCSCCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1359049929 YZIOCGDVKDBFMY-ZWKOTPCHSA-N 470.599 2.397 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@](C)(O)C2CCCCC2)CC1 1359179241 PHQJYQCZIBTHJS-REWPJTCUSA-N 481.663 2.345 30 10 JEEE C=CCCOCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1359222732 QNUVVHZWOCAIBB-GOSISDBHSA-N 493.406 2.456 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC=CCO1 1359256301 BCYDUOABZCPCDU-VXKWHMMOSA-N 498.609 2.020 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCN(CC(=O)Nc2c(C)cccc2C)CC1 1359292612 SZWJSJFZASOMKQ-GOSISDBHSA-N 467.618 2.471 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1359294301 PUMTUFCUOMFIKO-JKSUJKDBSA-N 492.330 2.133 30 10 JEEE CC[C@H](C)[C@@](C)(O)Cn1c(-c2cccn2C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1494894948 BXBUCOASAQVBLA-XFAGBWLFSA-N 463.590 2.457 30 10 JEEE COCCN(CCC#N)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(N2CCOCC2)CCSC1 1504883311 HKGWIFZTOQCHFL-XMMPIXPASA-N 481.626 2.391 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1CCc1nccc(C(F)(F)F)n1)[C@@H]1CCS(=O)(=O)C1 1507623880 YRYUONFQYHWDDU-HUUCEWRRSA-N 470.521 2.470 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1CCCOC(C)C)[C@H]1CCS(=O)(=O)C1 1507630446 YXTGIWYWEYSYHT-IBGZPJMESA-N 474.583 2.158 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1cc(C)ccc1OC(F)F)[C@@H]1CCS(=O)(=O)C1 1507630610 DAHHPOVONLHLSP-GOSISDBHSA-N 490.536 2.263 30 10 JEEE C#CCN(c1nnc(C2CC2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1507631915 UYYTZRZSUAWXSX-DOTOQJQBSA-N 451.593 2.038 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCCc2nc(C)no2)CC1 1507731405 HKSYDVVPFCACAX-HXUWFJFHSA-N 498.632 2.472 30 10 JEEE C=C(Br)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1507778729 GJLYLFFAWSAAFU-XJKSGUPXSA-N 468.327 2.417 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N(C)C1CCN(CCn2cccn2)CC1 1507782748 AIRSFNCXMFHDLN-QGZVFWFLSA-N 464.412 2.488 30 10 JEEE C=C(C)COCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCCN(C(C)=O)CC1 1507836896 CTFYUMXFMHUAFE-UHFFFAOYSA-N 489.646 2.198 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 1507869673 WZWFZFOBPDEZRF-OAHLLOKOSA-N 466.951 2.168 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CCC[C@H](n2cncn2)C1 1508144857 YJZDIMKVNYRWFS-IBGZPJMESA-N 471.587 2.199 30 10 JEEE CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCC[C@H](O)C2)CC1 1513186189 BNDZFUFLXVVOIO-WPYKKVEZSA-N 479.629 2.405 30 10 JEEE CCN(CC)CCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1515573174 ARJQRYOLPCHRIL-UHFFFAOYSA-N 488.600 2.251 30 10 JEEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCCCCC2)C1 1516022082 CQCUFADNDGVFKH-HXUWFJFHSA-N 472.615 2.420 30 10 JEEE CN(C)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1)c1cccc(F)c1 1517020435 FOXHHLIVOIAXNN-BLIXFSHQSA-N 464.542 2.064 30 10 JEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](CC)N1CCCC1 1539258109 PWFKBKHMNYKSAE-LJQANCHMSA-N 453.616 2.185 30 10 JEEE C#CCN(CC)c1nnc(COc2ccc(Br)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1539377777 MLOSGHYCTHERSU-INIZCTEOSA-N 496.431 2.361 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCOC3)n2Cc2ccncc2Cl)n1 1539424958 ZUMDQIINKMKCFL-GOSISDBHSA-N 455.950 2.361 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccc(OC)cc3)n2CC[C@@H]2CCOC2)CC1 1539484308 KLPSQKLVPZMEAQ-OAQYLSRUSA-N 465.598 2.464 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CC[C@H]2CCO[C@H](C)C2)CC1 1539484648 XTHFDPVUUYYTTR-UXHICEINSA-N 450.587 2.435 30 10 JEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@]2(C1)OCc1ccccc12 1539497466 MRXNRUXHIYPNBR-JTSKRJEESA-N 475.640 2.281 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(=O)NCc1ccco1 1539540001 CDOREPMDNDNOGS-HSZRJFAPSA-N 467.551 2.250 30 10 JEEE C=C(Br)Cn1c(-c2cccnc2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1539585862 BFDBBDMFXYMXBD-HNAYVOBHSA-N 474.407 2.238 30 10 JEEE C=C(Cl)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1539780145 LMENSRCUMHOQSZ-KRWDZBQOSA-N 460.922 2.188 30 10 JEEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1539804637 YYNVGTKYVOTWIR-PMPSAXMXSA-N 466.970 2.054 30 10 JEEE C=CCN1CC[C@H](N(C)C(=O)C2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)C1=O 1539964541 NTTCKXKLRGOHHT-SFHVURJKSA-N 457.955 2.125 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(CC)[C@@H](C)C2)cc1 1540877588 ZLQYFDUSWJHCGW-ZWKOTPCHSA-N 462.620 2.032 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CC[C@@H](OCc2ccccc2)C1 1540901976 WLNXSWDLHJJAEM-LJQANCHMSA-N 454.556 2.131 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccccn1 1555545635 GXBFWSVCFTWWBJ-OAQYLSRUSA-N 480.594 2.343 30 10 JEEE C#CCN(c1nnc([C@H](C)OCCOC)n1Cc1cccc2cccnc12)[C@H]1CCS(=O)(=O)C1 1588034298 CTSQJECWCOELDS-RXVVDRJESA-N 483.594 2.225 30 10 JEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1CCCO[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1588059385 NARDVUGJTDLLIX-NHCUHLMSSA-N 493.029 2.345 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCCO[C@H]1C(C)C)[C@@H]1CCS(=O)(=O)C1 1588074854 UCJCJSVXMYTUIX-CUUWFGFTSA-N 494.658 2.080 30 10 JEEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1589305124 MTJLWKOUKCZLIG-TZMCWYRMSA-N 457.329 2.180 30 10 JEEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 1594783976 NGSVPZPLLDXSHA-KRWDZBQOSA-N 450.584 2.455 30 10 JEEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCN(CC(=O)Nc2c(C)cccc2C)CC1 1595536446 ADFKSNCSHKVBIO-UHFFFAOYSA-N 465.602 2.225 30 10 JEEE CC(=O)N1CCC[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@](F)(C#N)C2)C1 1596083673 AECAUDIOULZOPQ-AUSIDOKSSA-N 451.506 2.429 30 10 JEEE COC[C@@H](C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1619583169 AKHBHBHUXSINII-MAUKXSAKSA-N 457.966 2.363 30 10 JEEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(S(C)(=O)=O)CCC2)C[C@@H](C)O1 1619736550 DPVLJSMQLKLAHL-APWZRJJASA-N 459.572 2.024 30 10 JEEE C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N1CCOCC1 1622819441 DYNACUWJUJFXOB-UWJYYQICSA-N 466.604 2.266 30 10 JEEE CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N(CC#N)c3ccc(F)cc3C)cc2)CC1 1623885449 NWLLYYIGSLMEKN-UHFFFAOYSA-N 458.515 2.157 30 10 JEEE C[C@H](CC(=O)NCc1nccn1CCc1ccccc1)/N=C1/NS(=O)(=O)c2ccccc21 1630906077 FURUZIZHSQTTCL-QGZVFWFLSA-N 451.552 2.259 30 10 JEEE C#CCOc1cccc(OS(=O)(=O)c2cc3c(cc2Br)n(C)c(=O)n3C)c1 1660096353 RCMZRNXLUDAGOE-UHFFFAOYSA-N 451.298 2.419 30 10 JEEE C#C[C@@H](NC(=O)N1CCC(NS(=O)(=O)NCC(F)(F)F)CC1)c1ccc(Cl)cc1 1682351836 BRGKQEJUDIAHSQ-OAHLLOKOSA-N 452.886 2.175 30 10 JEEE C=C1CN(C(=O)NCCNS(=O)(=O)c2cc(Br)ccc2Br)C1 1683943985 RKLSZCAMYMOHFI-UHFFFAOYSA-N 453.156 2.071 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2ccccc2F)n1Cc1cnn(CC)c1)[C@H]1CCS(=O)(=O)C1 1689979690 GCWPRVMZLGMFME-MJGOQNOKSA-N 486.573 2.449 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H](C)Oc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1689990104 LPWRRZCHPCWOET-GUDVDZBRSA-N 476.574 2.405 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1(N(C)C)CCC1)[C@H]1CCS(=O)(=O)C1 1689998035 ABQYCSKKPCHKKI-XUVXKRRUSA-N 477.675 2.308 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H](C)N1CCOCC1 1690017715 KBMUMEIAGYLTAC-LEWJYISDSA-N 470.618 2.186 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccccc2F)n1CC1(NC(=O)OC(C)(C)C)COC1 1690098444 IQOWMAMOBHJMLD-UHFFFAOYSA-N 459.522 2.464 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2Cc2cnn(CC)c2)CC1 1690152458 MAJZHPITPZJWNO-UHFFFAOYSA-N 461.570 2.396 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1690228948 JUHALFIKYJRVAU-IAGOWNOFSA-N 481.439 2.260 30 10 JEEE C=C(Br)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2cccnn2)CC1 1690232700 UGBHVRCWIDYHHU-UHFFFAOYSA-N 489.403 2.295 30 10 JEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)Cc2cccc(OC)c2)CC1 1690299307 MXOMUZOWBBVMRR-UHFFFAOYSA-N 496.612 2.007 30 10 JEEE C=C(C)COCCn1c(N2C[C@H](C)O[C@]3(CCOC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1690320553 WWTFEBNZWPVWBU-WWPVKYPJSA-N 450.580 2.296 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1C[C@@H](C)OC(C)(C)C1 1690668902 MZZPJYFISSNXIN-QGZVFWFLSA-N 479.585 2.371 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCCN(C(=O)C2CC2)CC1 1690675218 SHOICXINRKPTDM-UHFFFAOYSA-N 466.586 2.225 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@H]2C[C@H]1CO2 1690714918 YKCSXELZITZGBW-OALUTQOASA-N 459.572 2.116 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CC[C@H](c2ccc(OC)cc2)C1 1690722479 KVRIWZQDCLRZSF-SFHVURJKSA-N 454.556 2.338 30 10 JEEE COC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCC(O)CC2)C1 1697032942 DZIMWJOAVKWCSX-FQEVSTJZSA-N 452.559 2.053 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(COC(C)(C)C)c1 1705495087 KMAPKBCDBLOTIE-NQIIRXRSSA-N 489.642 2.432 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@](C)(O)[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1705562957 NOKQLQNYEFENFV-LLBVYWAGSA-N 455.584 2.241 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)s3)n2CCNC(=O)C(C)C)CC1 1705635973 UFOLFHSPNNEUIS-UHFFFAOYSA-N 465.421 2.297 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)c(Cl)c1 1705674862 SOYSILNCIOYLAD-WIYYLYMNSA-N 481.981 2.444 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(Cl)c(OC)c1 1705875677 BZGOYXQORINXDA-IBGZPJMESA-N 482.006 2.500 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCS(=O)(=O)C1 1705886128 UIOPLBSTXQWHEA-MSOLQXFVSA-N 483.635 2.424 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1705933012 QYJBTJXGPFHZOS-HXUWFJFHSA-N 457.600 2.289 30 10 JEEE C=CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H](C(=O)OC)C1 1705942423 RQGQQRRORKSIQO-INIZCTEOSA-N 450.586 2.267 30 10 JEEE CC(C)N(C)CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2C#N)CC1 1706550010 GAWRUKBQNJASAH-FQEVSTJZSA-N 450.591 2.158 30 10 JEEE CCOC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCOCC2(C)C)CC1 1710365681 GOAFFLWWTUPONU-UHFFFAOYSA-N 497.600 2.118 30 10 JEEE CO[C@@H]1COCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](CNC(C)=O)C1 1712100032 ASWCYMRAOVBCOG-FUPPJEDESA-N 482.585 2.133 30 10 JEEE COCC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(OC)CCCCC2)CC1 1712106650 DHKHIVMGAPNVKW-UHFFFAOYSA-N 482.585 2.373 30 10 JEEE C#CCCCn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1722324408 QZORPWLSDNDIGT-LJQANCHMSA-N 494.596 2.157 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCS(=O)(=O)CC1CC1 1722370785 OVCJJTSLINAWGY-UHFFFAOYSA-N 453.568 2.045 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2Cc2ncn(C)n2)CC1 1722450941 UDKWGODHFFBNQE-UHFFFAOYSA-N 490.612 2.297 30 10 JEEE C=C(C)Cn1c([C@@H]2CCCCO2)nnc1N1C[C@@H]2[C@H](C1)[C@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1722522516 TZZVIHRNSZBDIF-ZJPYXAASSA-N 481.619 2.222 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CCSCC 1722555179 KAHPITOXQQEVCZ-CABCVRRESA-N 452.046 2.331 30 10 JEEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2cnc(C)s2)CC1 1722620344 LMJRPZJPHROAPU-UHFFFAOYSA-N 459.620 2.194 30 10 JEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nc(C(C)C)cs1)C1CC1 1722650800 LJIMLOJMZHZYLF-QGZVFWFLSA-N 466.633 2.394 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1N1CCOCC1 1722671822 CSBKUUYAJTUSFL-HXUWFJFHSA-N 457.600 2.244 30 10 JEEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1722686148 RRRACPSVFGHULC-RTBURBONSA-N 473.578 2.183 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CC[C@](C)(N2CCOCC2)C1 1722703349 ZWSPTNCQXDHEML-VWLOTQADSA-N 468.602 2.077 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CC[C@@](O)(Cc2cccc(Cl)c2)C1 1722728496 VXYPLFJCTIHJNM-JOCHJYFZSA-N 489.001 2.173 30 10 JEEE C[C@H](Oc1ccccc1F)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@]1(O)CCS(=O)(=O)C1 1724004456 BFFNWKLQWCUSCD-KNXBSLHKSA-N 477.562 2.237 30 10 JEEE Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCCN2CCCO[C@@H](C)C2)cc1 1724437765 GPVXZCFXVLPEKN-RBBKRZOGSA-N 454.575 2.395 30 10 JEEE CN(C[C@H]1CCCCO1)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1729468129 BRGSULVPEJSZHL-PZJWPPBQSA-N 488.614 2.016 30 10 JEEE COc1ccc(CCc2nnc(N3CCC(C#N)CC3)n2CC(=O)NCC(F)(F)F)cc1 1730114956 HSZAXBJRKOQXQQ-UHFFFAOYSA-N 450.465 2.490 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2C[C@]2(C)COCCO2)c1 1740564429 MRRIIJHMWNCXMG-RUZDIDTESA-N 460.538 2.126 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@](C)(OC)C2CC2)c1 1740564705 VMVHSLBFSJIWGU-HOYKHHGWSA-N 485.610 2.052 30 10 JEEE C#CCN(c1nnc(-c2noc3c2COCC3)n1C[C@@H](SC)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1740622795 IRDDUMZSWIYTET-CRAIPNDOSA-N 493.655 2.410 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CC1([S@@](C)=O)CCC1)[C@H]1CCS(=O)(=O)C1 1740626273 SXSGDPZPBULQBU-MWOWJKGTSA-N 496.605 2.075 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H]1CC(=O)N(CCOC)C1 1740634513 DWAPOMHLZMVCSV-QGZVFWFLSA-N 455.946 2.175 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(Cl)s1 1740671413 GUEKNVVXGHDDQC-OAHLLOKOSA-N 458.009 2.028 30 10 JEEE C#CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1CC(F)(F)CO1 1740679919 MQSUROBMLSFKMS-MRXNPFEDSA-N 482.557 2.057 30 10 JEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(OCC(F)(F)F)nc1 1740684722 ZWPXQYNSGBIFEX-UHFFFAOYSA-N 492.458 2.476 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](C)CN(C)C(=O)OC(C)(C)C)CC1 1740694586 NUWZKJBKOOHEQG-VQTJNVASSA-N 460.623 2.430 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CC(C)(C)N2CCCCC2)CC1 1740706957 JSYAMSLLXIPUMW-UHFFFAOYSA-N 463.630 2.494 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)N1CCC[C@@H](C)C1 1740773684 AZFZIKYYQSWLIA-AABGKKOBSA-N 468.668 2.134 30 10 JEEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1740793841 MSWGQFSYYDSYBI-GOTSBHOMSA-N 495.672 2.483 30 10 JEEE C=CCN(c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCNS(=O)(=O)CC)C1CC1 1740910208 ACUVOUUETLJERY-QGZVFWFLSA-N 482.651 2.487 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCCN(C(C)=O)CC1 1740957004 YBWZXDDXWBRTOV-UHFFFAOYSA-N 479.354 2.208 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(C)(C)N2CCC[C@@H](C)C2)C1 1740982163 RZWBQNPRYWSBHO-HSALFYBXSA-N 465.664 2.472 30 10 JEEE Cc1ccc(NC(=O)c2nnc(N3CCC(C#N)CC3)n2CC2(S(C)(=O)=O)CC2)cc1C 1742248456 BKFQOEROQRMOKD-UHFFFAOYSA-N 456.572 2.464 30 10 JEEE Cc1ccc(OCc2nnc(N(C)C[C@@H](C)C#N)n2C[C@H]2CCN(S(C)(=O)=O)C2)cc1C 1742263085 GICLCMXAFKJIGC-LPHOPBHVSA-N 460.604 2.351 30 10 JEEE CCO[C@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@@H]2CN(CC(C)C)CCO2)CCOC1 1746710558 ICLMTEKYNIAWLU-TUACAJSNSA-N 460.623 2.417 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C 1748672803 XVXYOXPQCPYEGX-ULQDDVLXSA-N 451.593 2.038 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(OCCN2CCCC2)cc1 1748680927 YXOBCMDCDFELBS-HXUWFJFHSA-N 450.587 2.381 30 10 JEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(F)c(OC)c2)CC1 1748700123 XQCHZQGXRNNROW-KRWDZBQOSA-N 478.594 2.166 30 10 JEEE C#CCCCCn1c(COc2ccccc2OC)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1748727018 LRKORHFZJHMARK-UHFFFAOYSA-N 463.542 2.256 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCc1cccnc1)[C@H]1CCS(=O)(=O)C1 1748804593 JDLUEOLBFBLPCI-KRWDZBQOSA-N 489.399 2.300 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)o2)n1Cc1cccc(C(=O)N(C)C)c1)[C@@H]1CCS(=O)(=O)C1 1748809318 RZUDJYIFGPXNRY-HXUWFJFHSA-N 481.578 2.223 30 10 JEEE C#CCN(CC#CC)c1nnc(CSc2ccc(C)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1748901867 BWZJTTWWUWXTPZ-IBGZPJMESA-N 450.568 2.330 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCCN2C[C@H](C)O[C@@H](C)C2)CC1 1748984836 SPXCYUKZYVFJHB-SFTDATJTSA-N 482.629 2.217 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2C[C@H](C)CN2CCCC2)CC1 1749000595 YNNGICAUPPASIN-OAQYLSRUSA-N 452.603 2.353 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](OC)c2ccc(Cl)cc2)CC1 1749001646 YJHWCHNIJXSGOH-FQEVSTJZSA-N 487.004 2.423 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H]2CCCN2CCCO)CC1 1749006244 LAPPFURDZWQUHM-JOCHJYFZSA-N 485.032 2.411 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1ccco1 1749537490 IJDBSPCSPFNJQT-IBGZPJMESA-N 469.567 2.396 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(c2cnccn2)CC1 1749658004 KHWOKYACCOCIPU-UHFFFAOYSA-N 468.949 2.026 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC(C(=O)Nc3ccccc3)CC2)nnc1[C@@]1(OCC)CCOC1 1749682209 PLVPEUUKHVYBOV-RUZDIDTESA-N 482.585 2.088 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCNC(=O)c2ccccc2F)C1 1749694043 OMABSGLVTYFWPC-KRWDZBQOSA-N 479.516 2.276 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@]2(CCOC2)C1 1749721501 MDUVWLFHIJUNDL-HSZRJFAPSA-N 473.599 2.365 30 10 JEEE CC(C)CN1C[C@H]2CN(c3nnc(COc4ccc(C#N)cc4)n3C[C@@H](C)N(C)C)CCN2C1=O 1750829454 AWHIKBFZRINHBL-TZIWHRDSSA-N 480.617 2.261 30 10 JEEE CC(C)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC2(O)CCOCC2)CC1=O 1750837383 FQONXJRKVQQDQD-UHFFFAOYSA-N 452.559 2.053 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)C)n2CCCN2CCC(O)CC2)c1 1760128235 CDHXXHHEGGPQCJ-UHFFFAOYSA-N 452.603 2.380 30 10 JEEE C#CCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1760149660 BHBCSEDXAXIHOA-UHFFFAOYSA-N 466.586 2.468 30 10 JEEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1CCNS(=O)(=O)c1ccccc1 1760165799 FJJWHFOXJXYVAO-UHFFFAOYSA-N 477.388 2.094 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1OCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1760180333 CDHMEWGWMAIAKQ-UKPHBRMFSA-N 482.404 2.087 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@H]1C[C@H]2CC[C@H]1C2)[C@@H]1CCS(=O)(=O)C1 1760181691 AAGBELDUJDENFM-PNYFIKQUSA-N 461.632 2.259 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1Cc1cc(C)nn1C)[C@H]1CCS(=O)(=O)C1 1760182993 LDUCBDMRMOIKGI-INIZCTEOSA-N 476.965 2.455 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1CCc1nnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1760186600 OZQJZICWBTUPAY-LJQANCHMSA-N 470.624 2.207 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCCCNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1760188956 RRNBVOBQGBZLLD-RBUKOAKNSA-N 495.646 2.104 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@@](C)(O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1760189975 MSUWQFPBHXMKDB-NZQKXSOJSA-N 470.620 2.465 30 10 JEEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc(OC(F)(F)F)cc1 1760225029 FPVSMQNVLRADPW-AWEZNQCLSA-N 459.494 2.489 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(C)(C)N2C[C@@H](C)O[C@H](C)C2)CC1 1760255244 FKJSLXJHSZNVCH-WOJBJXKFSA-N 481.601 2.496 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2Cc2ccnc(C(F)(F)F)c2)CC1 1760256172 FIRSBTZBEBOZNP-INIZCTEOSA-N 452.481 2.219 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCCN2CCC[C@@H]2CO)CC1 1760266745 LEEHJCFGMHSSDP-XMMPIXPASA-N 489.624 2.019 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](OCC)c1ccccc1 1760295784 WILUYSSKAMHMDC-PQNGQFLHSA-N 487.626 2.381 30 10 JEEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(CCO)Cc1ccc(Br)s1 1760341641 NGNNYQUAHFPCEX-GFCCVEGCSA-N 478.438 2.287 30 10 JEEE C=CCCOCCn1c(Cc2ccncc2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1760451976 ACMVPFAAEGUKSG-QPPBQGQZSA-N 481.645 2.236 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1760518814 IDJLIEFUGCIYDA-MJGOQNOKSA-N 452.559 2.480 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCOc3ccccc32)C1 1760534883 IIAZRLNLBZRGOE-OKZBNKHCSA-N 461.588 2.236 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@H]2CC(F)(F)CO2)C1 1760539910 XRNAVUGOCALESD-ZWKOTPCHSA-N 497.568 2.401 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1760556782 PWHCVHFULVSCOZ-WMZHIEFXSA-N 460.600 2.162 30 10 JEEE C=CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](COC)C1 1760560833 GVACLFPBPUWXLX-KRWDZBQOSA-N 452.602 2.119 30 10 JEEE CC(=O)Nc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@](C)(C#N)C2)cc1 1760626593 HBJTUACTGFUEBK-YCRPNKLZSA-N 459.576 2.025 30 10 JEEE CC[C@H](C)NC(=O)CCn1c(-c2ccccn2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1762041354 CNMQYAOSHHUANQ-ZWKOTPCHSA-N 474.573 2.022 30 10 JEEE CCCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(CS(C)(=O)=O)CC2)CC1 1766203500 FDUQIKYLXHGAET-UHFFFAOYSA-N 484.626 2.384 30 10 JEEE CN(CCN1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1Cc1nccc(C(F)F)n1 1767382608 AVDVKNXEUUOWFM-UHFFFAOYSA-N 454.485 2.361 30 10 JEEE COc1cccc(C2(Cn3c([C@@H]4CN(S(C)(=O)=O)CCO4)nnc3N(C)[C@H](C)CC#N)CC2)c1 1768766886 FKLJECBFDNVFFJ-XLIONFOSSA-N 488.614 2.090 30 10 JEEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)NC(C)(C)C)C[C@H](C)O1 1769520540 GPEDBHGCMIUASI-PXNSSMCTSA-N 470.574 2.274 30 10 JEEE COc1ccc(C)cc1S(=O)(=O)N1CCN(CC(=O)Nc2sc3c(c2C#N)CCC3)CC1 1858631891 FTWQTYVVZZNFTQ-UHFFFAOYSA-N 474.608 2.371 30 10 JEEE COc1ccc(-n2nnc(C#N)c2NC(=O)CN2C(=O)COc3ccc(Cl)cc32)cc1OC 1870156654 YOGFFQFWLHRUNL-UHFFFAOYSA-N 468.857 2.174 30 10 JEEE CN(C)CCCn1cc(OCC(=O)Nc2sc3c(c2C#N)CCC3)c(=O)cc1CN(C)C 1870324770 ZDGCPYFLPNABHD-UHFFFAOYSA-N 457.600 2.301 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCCOC)cn1C[C@H](c1ccc(O)cc1)N(C)C 1870527372 TUXOCXRUQDFEKI-XMMPIXPASA-N 498.624 2.172 30 10 JEEE Cc1[nH]nc(C(=O)N2CCC(OCC#CCN3CCN(C(C)C)CC3)CC2)c1Br 1889471346 ZYOFVHRNFUECGV-UHFFFAOYSA-N 466.424 2.131 30 10 JEEE Cc1nc(I)c(I)n1C[C@@](N)(C#N)C1CCC1 2026502618 KLKUXKORUJWNIE-NSHDSACASA-N 456.069 2.422 30 10 JEEE CC1(C)OB(c2csnc2C(=O)NCC2CN(C(=O)OCc3ccccc3)C2)OC1(C)C 2243371943 LDMTVNARQXEVFO-UHFFFAOYSA-N 457.361 2.441 30 10 JEEE CCn1cc(C(=O)N[C@H]2CC[C@H]2NC(=O)OCc2ccccc2)nc1B1OC(C)(C)C(C)(C)O1 2255654040 RBKRCPNUHZAPDW-ZWKOTPCHSA-N 468.363 2.389 30 10 JEEE C[C@H]1CC[C@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)CN1C(=O)OC(C)(C)C 2256617146 HHXOXLOGPHGPIV-STQMWFEESA-N 452.386 2.233 30 10 JEEE Cc1cc(C(=O)NCC2(CO)CN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2267155914 AUWXCUNHRPDUAD-UHFFFAOYSA-N 466.409 2.315 30 10 JEEE C[C@H]1CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)CC[C@H]1NC(=O)C(F)(F)F 2267366670 JDYRGIPIOOATSP-WCQYABFASA-N 482.355 2.125 30 10 JEEE CC1(C)OB(c2cncc(S(=O)(=O)NCc3nccn3Cc3ccccc3)c2)OC1(C)C 2267378808 SSDWBOHRPGHSOX-UHFFFAOYSA-N 454.361 2.104 30 10 JEEE CC(C)(C)OC(=O)NCCc1n[nH]c(=NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)o1 2267516335 CIGBYORSCHUURF-UHFFFAOYSA-N 464.353 2.172 30 10 JEEE Cc1nc(S(=O)(=O)NCCCCOCc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)n1C 2267707289 OBWJMFIBKYEXKT-UHFFFAOYSA-N 463.409 2.303 30 10 JEEE CC(C)(C)OC(=O)N1[C@H](CNC(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)COC1(C)C 2281796173 UMCWZNQQJOPLEC-OAHLLOKOSA-N 461.368 2.483 30 10 JEEE CC(C)(C)OC(=O)N1CC(NC(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2Cl)(C(=O)O)C1 2281827717 ZKTADJLSVKKOGN-UHFFFAOYSA-N 480.754 2.443 30 10 JEEE Cc1nn(C)c(C(=O)N[C@@H]2CCOC[C@H]2OCc2ccccc2)c1B1OC(C)(C)C(C)(C)O1 2281991972 HZNNXFHQLNKUIM-RTBURBONSA-N 455.364 2.132 30 10 JEEE C[C@H]1CN(C(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C[C@@H](C)CN1C(=O)OC(C)(C)C 2282035004 PGNLESINGDHAOK-CVEARBPZSA-N 462.400 2.437 30 10 JEEE Cn1nc(C(=O)NC[C@@H]2[C@H]3C[C@@H]3CN2C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2282043311 ITXSFZCELJRCAM-HZSPNIEDSA-N 480.802 2.358 30 10 JEEE CN(C(=O)OC(C)(C)C)[C@H]1CN(C(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CC12CC2 2282049519 AMHJVSNJEIQXLG-INIZCTEOSA-N 460.384 2.191 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1C[C@H](O)C[C@@H]1CNC(=O)OC(C)(C)C 2282122753 LKVMQUPHOCDWEF-QZTJIDSGSA-N 460.380 2.394 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H]2OCCN(C(=O)c3nscc3B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2282529338 FDDMNQNZSULTSN-HZPDHXFCSA-N 479.408 2.293 30 10 JEEE CC(C)(C)OC(=O)NCc1nnc(NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)o1 2282533082 HFDRBFBXXZYGAQ-UHFFFAOYSA-N 463.275 2.180 30 10 JEEE CCC1(CNC(=O)c2c(B3OC(C)(C)C(C)(C)O3)nn(C)c2C)CN(C(=O)OC(C)(C)C)C1 2282596235 AOEDUGCBWALOKJ-UHFFFAOYSA-N 462.400 2.405 30 10 JEEE C[C@@H]1C[C@H](NC(=O)C(F)(F)F)CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2O)C1 2282820293 SKFJDSUUHQDEDV-OCCSQVGLSA-N 456.270 2.221 30 10 JEEE CC1(C)OB(c2ccc(O)c(C(=O)NC[C@@H]3CCCCN3C(=O)C(F)(F)F)c2)OC1(C)C 2282983013 IMOLQRXSEHJELP-AWEZNQCLSA-N 456.270 2.365 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F)C1(O)CCC1 2284069341 PMJNIFUGXJZVDZ-HNNXBMFYSA-N 465.331 2.267 30 10 JEEE COc1cc(C=Nn2c(SCCO)nnc2[C@H]2CC(=O)N(Cc3ccccc3)C2)ccc1O 2325924798 JUGHVLFYBCGBKK-SFHVURJKSA-N 467.551 2.475 30 10 JEEE COc1[nH]c(=NCCN2CCN(Cc3ccccc3)CC2)ccc1B1OC(C)(C)C(C)(C)O1 2365347708 GWRPGFHPJKZSON-UHFFFAOYSA-N 452.408 2.041 30 10 JEEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(NS(=O)(=O)c3ccc(F)c(Cl)c3)cc2)CC1 27165626 ZNJIPNUGMCOKMB-UHFFFAOYSA-N 494.976 2.340 30 10 JEEE COc1cccc([C@@H]2c3c(nc(NCc4ccc5c(c4)OCCO5)[nH]c3=O)NC(=O)[C@H]2C#N)c1O 72472572 UBVHHIWBRHKAEH-KSSFIOAISA-N 475.461 2.091 30 10 JEEE COc1cc([C@H]2/C(=C(/O)c3ccccc3)C(=O)C(=O)N2CCN2CCOCC2)cc(OC)c1OC 102503080 JXHOCHANXUDULY-VFJWVMJUSA-N 482.533 2.466 30 10 JEEE C=CCNC(=O)[C@H](C)Sc1nnc(N/N=C/c2c(C)nn(-c3ccccc3)c2N2CCOCC2)[nH]1 253562149 CXRJNRLCDDSJBQ-STPJHCLOSA-N 495.613 2.364 30 10 JEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCN([C@@H](C)C(=O)NC3CCCC3)CC2)cc1 509552062 AZYQNGQFCGVAEF-SFHVURJKSA-N 477.631 2.090 30 10 JEEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(I)c(Br)c2)CC1 516248449 NBIWZSGICFVLCI-UHFFFAOYSA-N 492.155 2.114 30 10 JEEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1Cc1ccccc1 588152991 KUFJOAKJWABXHQ-KRWDZBQOSA-N 480.611 2.480 30 10 JEEE C#CCN(C(=O)c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1)[C@@H]1CCS(=O)(=O)C1 729330427 DRDHIXLDAKTOLH-HXUWFJFHSA-N 472.588 2.091 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)O[C@@H](C)C(=O)N(C)C[C@@H]3COc4ccccc4O3)cc2C1=O 853262474 XVAMYPCQTRAQEV-DOTOQJQBSA-N 464.474 2.312 30 10 JEEE C=CCn1nc(C)c(C=NNc2nnc(SCC(=O)Nc3cccc(OC)c3)n2N)c1C 1084025926 CTXMIVIEUNMRPF-UHFFFAOYSA-N 455.548 2.177 30 10 JEEE CC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)CSc2n[nH]c(NN=Cc3cccnc3)n2)cc1 1084651847 QPKDRKGTASJZGA-CQSZACIVSA-N 488.599 2.453 30 10 JEEE C=C[C@H](CO)NC(=O)Cc1cc(I)cc(I)c1 1167654830 UPRFLQPIZYBZOP-LLVKDONJSA-N 457.049 2.101 30 10 JEEE C#CCN(C)c1nnc(-c2ccccc2Br)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1286371528 VKRNDMCDCGVHOG-CQSZACIVSA-N 452.378 2.059 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1CCC1CCN(CC)CC1)[C@@H]1CCS(=O)(=O)C1 1286386463 ABZVPYLDHGBKNU-OAQYLSRUSA-N 456.616 2.089 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@]1(O)CCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1286387799 IIWATWAUWSJJJR-QLVMHMETSA-N 463.991 2.171 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1ccc(OC)c(OCC)c1)[C@H]1CCS(=O)(=O)C1 1286391128 GEJNDFRSFLAEPO-NRFANRHFSA-N 495.605 2.346 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CCN1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1286394526 JFCWEXYXQONHBW-PZJWPPBQSA-N 489.617 2.355 30 10 JEEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1C[C@@H]1CCC[C@@H](O)C1)[C@H]1CCS(=O)(=O)C1 1286394680 JXNMFTUQHUIBOZ-HSALFYBXSA-N 488.610 2.044 30 10 JEEE C#CCN(c1nnc(COCC)n1C[C@H](C)Oc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1286396502 QAEZXVVUOCYXMV-FUHWJXTLSA-N 450.536 2.048 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CCc1ccc(OC(F)(F)F)cc1 1286464414 AIGYLXNYSOBVPV-KRWDZBQOSA-N 451.449 2.457 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CC(C)(C)OCC)CC1 1286490692 OZKVUBBCEKUJNW-UHFFFAOYSA-N 477.569 2.375 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(Nc2cccnn2)CC1 1286495797 FQEPZPDTOWRMIH-UHFFFAOYSA-N 463.571 2.163 30 10 JEEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1286500865 FUQWDLKMNNQTND-QGZVFWFLSA-N 481.047 2.364 30 10 JEEE C=C(C)COCCn1c(N2CCN(c3ncc(F)cn3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1286614662 VZTBVJLRCXAQAZ-HSZRJFAPSA-N 475.569 2.167 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2nc(C(F)(F)F)cs2)CC1 1286647076 YTAWYSJBFIRMQO-CYBMUJFWSA-N 492.549 2.291 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1286817782 XRBUIJMMBVXAFB-OAQYLSRUSA-N 470.599 2.265 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2OC)nnc1N1CCSC[C@@H]1C 1286822814 HUDUHPGVSRZDSG-INIZCTEOSA-N 452.602 2.408 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1286823022 QRYMQKFIFOZCNK-JOCHJYFZSA-N 478.578 2.314 30 10 JEEE CC1(C)CCc2nc(O)c(C(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)cc2C1 1290635981 FZMVNXVFBVIQPD-UHFFFAOYSA-N 454.552 2.320 30 10 JEEE CC1CCN([C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N(C)CC(=O)N2CCOCC2)CC1 1291142305 BJOAYFFAMPVJNS-HXUWFJFHSA-N 465.602 2.232 30 10 JEEE CCC[C@@](C)(O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1293816841 FIPIMUGJNAXTLP-WZONZLPQSA-N 455.538 2.118 30 10 JEEE COC(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCCO[C@@H](C)C2)C1 1299367252 BHZNHACDXOSVNL-RXVVDRJESA-N 452.559 2.317 30 10 JEEE COc1ccc(Br)c(-c2nnc(N(CCC#N)CC3CC3)n2Cc2nnn(C)n2)c1 1299968146 ACBBEBINWUTNOF-UHFFFAOYSA-N 472.351 2.418 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCNC(=O)OC(C)(C)C 1300304021 MEPLVIMIYLNDGI-HNNXBMFYSA-N 451.531 2.175 30 10 JEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1N(C)CCCC1(C)C 1300441310 KFRIQXDDOWCTQD-FQEVSTJZSA-N 458.632 2.385 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Cl)n1C[C@H](C)CN1CCOCC1)[C@H]1CCS(=O)(=O)C1 1300486952 CIODGVPWZVHSSH-MOPGFXCFSA-N 492.045 2.194 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CCc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1300502074 QODSHEXSKLKIOK-NRFANRHFSA-N 465.579 2.142 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2C[C@@H](CCC)OC)CC1 1300719331 WXIQOEXWHXXNJR-LJQANCHMSA-N 453.543 2.455 30 10 JEEE C#CCSCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1300755430 SFKMFHHYYHDTOJ-LJQANCHMSA-N 456.597 2.121 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)c2nc(C)cs2)CC1 1301087262 ZKGWQZLVOLHRGU-WBVHZDCISA-N 466.633 2.336 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CCCN(C(C)=O)CC1 1301484097 AIBRQMQIWYLJNU-UHFFFAOYSA-N 491.390 2.077 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H]3CCOC3)nnc2N2CCC(CNS(C)(=O)=O)CC2)cc1 1301524788 DJRUISARXKXKOO-HXUWFJFHSA-N 475.615 2.161 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1301587983 ZJDGHCSTXKEFSW-CQSZACIVSA-N 492.593 2.307 30 10 JEEE C[C@H](C#N)CN(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1301970590 HNDXRNSKKJVVHE-WIYYLYMNSA-N 493.637 2.480 30 10 JEEE Cc1nc(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCO[C@H](COC(C)C)C2)n[nH]1 1304685513 GQCMVUSQIHLBQT-FQEVSTJZSA-N 466.546 2.028 30 10 JEEE C[C@@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCCC1(C)C 1304909063 CYGFGAFENMDFSR-MZNJEOGPSA-N 452.559 2.337 30 10 JEEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2n[nH]c(C)c2-c2ccc3c(c2)OCCO3)c1 1306083375 JMKJSGZKCWSQFN-UHFFFAOYSA-N 452.492 2.320 30 10 JEEE COCCN1C[C@@H](Cn2c(CCCc3ccccc3)nnc2N2CC[C@@](F)(C#N)C2)CC1=O 1316120960 FCCPMALZBOAADO-GBXCKJPGSA-N 454.550 2.390 30 10 JEEE N#Cc1ccc(N2CCN(c3nnc(CCCc4ccccc4)n3CC(=O)NCC(F)F)CC2)nc1 1316533737 CCBHZBITCYONGK-UHFFFAOYSA-N 494.550 2.428 30 10 JEEE C#CCN(c1nnc(C(C)C)n1C[C@@H]1CC(=O)N(c2ccccc2)C1)[C@@H]1CCS(=O)(=O)C1 1358955625 PVVPRWZTPTZRDG-UYAOXDASSA-N 455.584 2.081 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1ccc(C(C)(C)O)cc1)[C@H]1CCS(=O)(=O)C1 1358964591 BTSBOGJQPMNLIY-QFIPXVFZSA-N 479.606 2.166 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1ccc(C(N)=O)nc1 1358977478 NBMCEZBLOLFIRT-IBGZPJMESA-N 477.569 2.008 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCCc1nc(C)cs1 1359070952 YTCSMNUZZOEXKM-PGRDOPGGSA-N 492.671 2.391 30 10 JEEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1359121919 OLLBWOIHINWXDL-ZACQAIPSSA-N 451.593 2.059 30 10 JEEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 1359183622 PWTMORXQWHELEH-KRWDZBQOSA-N 492.621 2.479 30 10 JEEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 1359226869 OJXYTCKABMXWNP-HXUWFJFHSA-N 475.615 2.276 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@](C)(O)CC 1359282155 RYWZDTZAYXTEKL-HTAPYJJXSA-N 453.584 2.386 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@](F)(C#N)C1 1359299253 ACZVXPYYWWUBDP-KSFYIVLOSA-N 461.542 2.137 30 10 JEEE CC(C)NS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1360313132 HMQHLNOBZYQOLW-UHFFFAOYSA-N 498.588 2.005 30 10 JEEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CCS(=O)(=O)C[C@@H]2CC(=O)OC)s1 1438309907 OEJQVCNZWZWBAP-LBPRGKRZSA-N 453.007 2.027 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1nnc2n1CCC2 1507531107 AOUWFJRRHUFSOC-IAGOWNOFSA-N 454.579 2.437 30 10 JEEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1507581475 WACJAYDYAVPQKD-SFHVURJKSA-N 463.546 2.438 30 10 JEEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCC(=O)NC1CCCCC1 1507610527 HKYLSEZYPGJRCN-UHFFFAOYSA-N 450.591 2.361 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1CCc1nccc(C(F)(F)F)n1)[C@@H]1CCS(=O)(=O)C1 1507622816 MCHLJXGFQYVGFG-CQSZACIVSA-N 470.521 2.254 30 10 JEEE C#CCN(c1nnc(C(C)C)n1C[C@H](c1cccs1)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1507623430 RXMUPAFGEMPYSE-RBUKOAKNSA-N 477.656 2.163 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1ccccc1OCCOC)[C@H]1CCS(=O)(=O)C1 1507627117 CQZCFXOHRRWFEY-FQEVSTJZSA-N 481.578 2.040 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCc1nnc(C)s1 1507681461 YGHIHVIBKBNACG-UHFFFAOYSA-N 473.628 2.448 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccccc3Br)n2CC(=O)NCc2ccco2)CC1 1507722856 LUGMESYDZGKWLJ-UHFFFAOYSA-N 483.370 2.372 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2CCNC(=O)c2cccs2)CC1 1507733094 XQEOLYZHSFCXRC-UHFFFAOYSA-N 464.595 2.412 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CCc2nccc(C(F)(F)F)n2)CC1 1507740081 NYLUCDCOYMTFFO-UHFFFAOYSA-N 461.492 2.248 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2cc3c(cc2OC)C[C@@H](C)O3)CC1 1507741417 SBKWWBQEQFFHBM-QGZVFWFLSA-N 467.570 2.161 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 1508144600 VKWVIFVVIVBEOB-QGZVFWFLSA-N 453.609 2.325 30 10 JEEE C=CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1508157999 CUBNUVVWXCIRNL-QGZVFWFLSA-N 457.666 2.342 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3OCC[C@H]3COC)n2CCC2(O)CCC2)c1 1539045698 IBNZDPTXAPQSQL-UGKGYDQZSA-N 467.570 2.363 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCN(C)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1539216517 TXMIHVVBGMGWJH-HXUWFJFHSA-N 452.584 2.032 30 10 JEEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1C[C@H]1CN(Cc2ccccc2)CCCO1 1539378009 ZNCNBAOXEWKHFT-JOCHJYFZSA-N 450.587 2.151 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@@H](C)N2CCN(CC)CC2)CC1 1539469490 BARXBZDXMUCBDU-JOCHJYFZSA-N 491.684 2.499 30 10 JEEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1539514006 VEZKWUBWJQDABI-UHFFFAOYSA-N 455.632 2.164 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@H](Cn2cccn2)C1 1539615956 MSZIMIHCOSIAHB-JBACZVJFSA-N 471.606 2.280 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1539622506 XDUXWSRCLUXUKU-AZUAARDMSA-N 490.586 2.306 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1539624282 RLYRFZIFQLEUHR-VQIMIIECSA-N 481.022 2.493 30 10 JEEE C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1539686445 WKZFZXVXGBYIDJ-CYBMUJFWSA-N 460.340 2.144 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(c2nccnc2C)CC1 1540863051 OHUMCBXUZKNLFJ-GOSISDBHSA-N 480.548 2.284 30 10 JEEE C=CCSCCn1c(COCC)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1540922412 NPUQSYJPIFGWDJ-QUCCMNQESA-N 450.653 2.113 30 10 JEEE CC(=O)N[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2([S@@](C)=O)CCC2)C1 1541039177 AGSAATXIFMTCBH-AONNBLCTSA-N 470.599 2.135 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)C(=O)CCNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)c1 1544671383 ZNGBBRURAKUTIL-NRFANRHFSA-N 458.559 2.120 30 10 JEEE CCCCN(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1547007926 CNEDANZPGGLESA-IBGZPJMESA-N 453.547 2.101 30 10 JEEE CCO[C@]1(c2nnc(N(C)Cc3ccc(C#N)cc3)n2CC2CCS(=O)(=O)CC2)CCOC1 1547861346 GKOTWIJURVUCSN-HSZRJFAPSA-N 473.599 2.263 30 10 JEEE N#Cc1ccc(N2CCC([C@@H]3CN(C(=O)c4cnccn4)C[C@H]3C(N)=O)CC2)cc1C(F)(F)F 1548382367 WFDXFNCJQXKIMV-ZWKOTPCHSA-N 472.471 2.457 30 10 JEEE COC(=O)N1CCC(Cn2c(COc3cccc(C)c3)nnc2N2CCO[C@H](C#N)C2)CC1 1554552330 GHSIBJFEXYATFQ-HXUWFJFHSA-N 454.531 2.373 30 10 JEEE COCCN1C[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CC(C)(C)OC[C@@H]2C)CC1=O 1555573290 ACNPZHQYMJBVSK-ICSRJNTNSA-N 482.585 2.227 30 10 JEEE C[C@@H](CC(=O)N(C)CCCN(C)C(=O)OC(C)(C)C)/N=C1/NS(=O)(=O)c2ccccc21 1570373590 DDMMHXZHQZGDIB-HNNXBMFYSA-N 452.577 2.219 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCOC3)n2C[C@@]2(O)CCCC2(C)C)n1 1588722576 DFTSXPRDQXXXTI-CYFREDJKSA-N 456.591 2.206 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2Cc2ccc(OC)nc2OC)CC1 1588848709 MAEPQHFUNIJWSK-UHFFFAOYSA-N 462.554 2.093 30 10 JEEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1589296162 PDSVPTLCLVTPSK-JTQLQIEISA-N 498.329 2.032 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1593741234 KXHLKAYTKTUKKK-XPWALMASSA-N 488.677 2.391 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCOC[C@H]1OC 1595116889 WVCODDBFHKUZGD-NJDAHSKKSA-N 460.600 2.424 30 10 JEEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1595314260 KWGZHUWVPXJLSX-FUHWJXTLSA-N 474.993 2.415 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1595516999 MJBSAHYVQIIOFK-ZWKOTPCHSA-N 476.375 2.394 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1595648252 AMVSCWACLYSGIO-SFHVURJKSA-N 482.566 2.162 30 10 JEEE CNC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCOC[C@H]2C)C1 1618653231 DSKXJRDFANNLBU-YZGWKJHDSA-N 452.559 2.364 30 10 JEEE COCCN(CCC#N)S(=O)(=O)NC[C@@H]1c2ccccc2CCN1C(=O)OC(C)(C)C 1622121319 DLNPNGHYXWTCBB-LJQANCHMSA-N 452.577 2.217 30 10 JEEE C[C@@H]1CN(CCCn2c(-c3cccc(C#N)c3)nnc2N2CCC(CC(N)=O)CC2)CCCO1 1649557417 FPALTNLIIYFRBD-LJQANCHMSA-N 465.602 2.409 30 10 JEEE C#Cc1cccc(NC(=O)CNS(=O)(=O)c2cc(Br)cc(C(=O)OC)c2)c1 1659637377 QOTWIAHSOYUZRW-UHFFFAOYSA-N 451.298 2.134 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@@H]2CSCCS2)c1 1689868803 QUVHAQACMRLXLO-GOSISDBHSA-N 472.640 2.321 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2C[C@]2(N3CCOCC3)CCSC2)c1 1689873652 QUDLVSVYUGJHCM-RUZDIDTESA-N 498.653 2.079 30 10 JEEE C#CCN(c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@H](C)OC)[C@H]1CCS(=O)(=O)C1 1689983700 FOVJWDPWWVUPJD-WMZOPIPTSA-N 462.572 2.014 30 10 JEEE C#CCN(c1nnc(COCC)n1Cc1cc(OC)nc2ccccc12)[C@@H]1CCS(=O)(=O)C1 1689997093 VUCNCMJJSOKDAU-GOSISDBHSA-N 469.567 2.046 30 10 JEEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H](c1cccs1)N1CCOCC1 1690003819 YZDZYDLLEKIDCI-RDPSFJRHSA-N 469.611 2.138 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@H]2CC(F)(F)CO2)CC1 1690139345 ISSYRQJYCAQQHI-IBGZPJMESA-N 459.497 2.344 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](C(CC)CC)N(C)C)CC1 1690142510 PFMGWUQIBFGORO-NRFANRHFSA-N 454.623 2.011 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1690235864 FOUABUPHANYJPL-YYWHXJBOSA-N 471.606 2.489 30 10 JEEE C=CCCOCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1690508139 BRSNOCKGADGVIN-PXNSSMCTSA-N 462.572 2.397 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCOC[C@H]1C 1690603514 COFDSZJSTDWFJJ-IFMALSPDSA-N 473.643 2.136 30 10 JEEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC[C@H](N2CCCC2)C1 1690675152 QHTQLORGZOOKAD-NRFANRHFSA-N 452.603 2.439 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CC[C@@H](CN2CCCCC2)C1 1690725171 HUSVOTCSGZSCSJ-FQEVSTJZSA-N 458.632 2.177 30 10 JEEE C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1CCS(=O)(=O)C1 1692828484 AIZRYPDPTIRFSQ-DAYGRLMNSA-N 465.963 2.235 30 10 JEEE CNS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1697030484 HHXMSQNGPZFBAK-UHFFFAOYSA-N 478.022 2.337 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2CCc2n[nH]c(C)n2)c1 1705503966 JOTPVZDTASISJY-RUZDIDTESA-N 492.584 2.044 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccc(C#N)o2)c1 1705504517 YMOVYSOXDLZIEW-RUZDIDTESA-N 474.521 2.499 30 10 JEEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 1705523349 OUMLTPHREYFGTH-NRFANRHFSA-N 459.554 2.194 30 10 JEEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1705523467 YNEBOZLXSYPALN-ONTLXTELSA-N 486.661 2.185 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCCOC)[C@H]1CCS(=O)(=O)C1 1705560059 IBUVTSNLZADEKN-AEFFLSMTSA-N 450.536 2.220 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1CCC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1705568637 SIWWNDDXLYIUMJ-IBGZPJMESA-N 476.574 2.440 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCCN(C(C)C)C1 1705576310 JNIKVPMMBNEBFY-OAQYLSRUSA-N 482.654 2.389 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCNC(=O)[C@@H](C)CCC 1705583170 RTCFQSBADPCQCH-VQTJNVASSA-N 486.617 2.212 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc4cccnc34)n2CCS(=O)(=O)C(C)(C)C)CC1 1705636907 BPEFFCYPXBJOPT-UHFFFAOYSA-N 466.611 2.462 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC2(O)CC(OCC)C2)CC1 1705644766 BGFVVVBLHDPLNT-FIHXVCSCSA-N 499.587 2.453 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OC)n2CCc2ccccn2)CC1 1705650959 DZBOKJHHLLICEU-UHFFFAOYSA-N 474.565 2.469 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCN(CC(C)C)C1 1705668239 HIZCIJJQUIHORW-WOIUINJBSA-N 450.653 2.248 30 10 JEEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@@H](c2ccccc2)C1 1705731389 VAOMEQQDJVSRGG-CMKODMSKSA-N 463.604 2.447 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Br)cc2)nnc1N1CCC(CO)CC1 1705906377 BVJIXNPHVJWFAE-UHFFFAOYSA-N 464.364 2.131 30 10 JEEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2ccccc2)C1 1705939661 IYMMWJTVKARUOM-WMZOPIPTSA-N 451.618 2.385 30 10 JEEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@](C)(O)c2cc(C)oc2C)C1 1710345005 BVAXKBKDOFWSCM-GBXCKJPGSA-N 498.609 2.452 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1722280153 VHVDNSMXXBYSLT-UEXGIBASSA-N 473.540 2.430 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc2c(c1)C(=O)NCC2 1722294428 HAECNNOJJFKNIC-LAUBAEHRSA-N 494.596 2.379 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1C[C@]1(O)CCSC1)[C@H]1CCS(=O)(=O)C1 1722360323 SXEDREYNYSPUKU-HRAATJIYSA-N 498.577 2.041 30 10 JEEE C#CCN1CCN(c2nnc(CC(C)(C)C)n2Cc2ccccc2CN2CC[C@@H](O)C2)CC1 1722437393 MGKPLTGRYHDQLE-HSZRJFAPSA-N 450.631 2.237 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCN(C)Cc2ccc(F)cc2)CC1 1722440393 FOOCRAVLKZLLMD-GMAHTHKFSA-N 470.593 2.028 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCc1cccnc1 1722446263 CIIISLJAPBABSN-UHFFFAOYSA-N 457.538 2.399 30 10 JEEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CC[C@](C)(N2CCOCC2)C1 1722479241 GWQYMZWNJLQCPB-APWZRJJASA-N 458.401 2.212 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(S(C)(=O)=O)CCC1 1722659991 JKZXMSVGDXVPGB-SFHVURJKSA-N 496.630 2.479 30 10 JEEE C=CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@]1(O)CCC[C@@H]1C 1722680125 XZJQHDAZXMKCIX-JTSKRJEESA-N 462.620 2.428 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1722696103 BEOQRUICCSIXKV-MRXNPFEDSA-N 470.375 2.186 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1722702320 HPQJCPOWXHSTAE-TZIWHRDSSA-N 482.633 2.232 30 10 JEEE C=CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@@H](C(N)=O)C1 1722732887 RSAHBHVLRYNAEZ-MRXNPFEDSA-N 463.007 2.482 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 1722736599 CDWJFAPJRWCYLQ-GVDBMIGSSA-N 469.608 2.080 30 10 JEEE CC(=O)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)N(C)C2CC2)CC1 1722774558 CDNNLKQWTYXAIA-GOSISDBHSA-N 451.575 2.270 30 10 JEEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)N2CCOCC2)CC(C)(C)O1 1726722321 HCWVFNPCPHPGED-MOPGFXCFSA-N 454.575 2.453 30 10 JEEE CCOCc1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1CCS(=O)(=O)CC1CC1 1729066577 GPRLXLGOCSDREF-UHFFFAOYSA-N 493.033 2.491 30 10 JEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1740582594 PHZCTDIBACYLLT-QGZVFWFLSA-N 471.505 2.376 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(C)nc3ccccc23)n1CCN/C(O)=C1/N=CC=CC1=O 1740632971 RRMXOMCPLSYHNZ-BZZOAKBMSA-N 465.517 2.401 30 10 JEEE C#CCSCCn1c(N2CC[C@H](N3CCN(C(C)C)CC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1740722162 FBXHQMYIKJTDCS-WIOPSUGQSA-N 490.718 2.290 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(C(=O)NCCC)c1 1740725294 OYQUNGVKUBISKG-GAJHUEQPSA-N 472.615 2.069 30 10 JEEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCN1C(=O)OC(C)(C)C)C1CC1 1740906416 OCDYHDHZCYBWRC-NVXWUHKLSA-N 468.624 2.443 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 1740961426 BLROYVJZVBHPPL-QFIPXVFZSA-N 491.518 2.349 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Br)cc2)nnc1N1CC(C)(OC)C1 1740963212 DEBMPODTQVFVLH-UHFFFAOYSA-N 450.337 2.147 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1740980811 KBJSYVFAOBRQBP-IAGOWNOFSA-N 481.569 2.210 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCC(Cn2cncn2)CC1 1740992244 CVLXECYVHBQAHM-UHFFFAOYSA-N 469.615 2.286 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(CNC(C)=O)CC1 1740993394 ZSZUBVPDAHBBTL-UHFFFAOYSA-N 480.034 2.476 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCC(F)(F)CC1 1741130863 CDVPSOUACCPLMH-GOEBONIOSA-N 460.551 2.032 30 10 JEEE CC(C)(Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)CC1)N1CCCCC1 1741247569 DGZOWZWZVVMFMO-UHFFFAOYSA-N 471.631 2.163 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@@](C)(O)c1ccc(F)cc1 1741929670 AFZJEGJZBYSHAX-ONGXBYRLSA-N 464.567 2.065 30 10 JEEE Cc1noc(CCCn2c(-c3cccc(C#N)c3)nnc2N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)n1 1742893803 COXDGSBYUBAEQE-GJZGRUSLSA-N 457.560 2.399 30 10 JEEE CCc1nc(CCn2c(-c3cccc(C#N)c3)nnc2N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)no1 1744463889 CXSKAYKSNAMRRC-LSDHHAIUSA-N 457.560 2.263 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1C[C@H](C)N1CCN(c2ccccc2)CC1)[C@H]1CCS(=O)(=O)C1 1748801676 DJXBXQMIKFHIGJ-GMAHTHKFSA-N 498.697 2.413 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1c(F)cccc1OC(F)F)[C@H]1CCS(=O)(=O)C1 1748811430 GSDOALPKXZNVEA-HNNXBMFYSA-N 494.499 2.094 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCO[C@@H]1CCCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1748817410 KJTMIPXPNSFUHE-DOIPELPJSA-N 464.632 2.394 30 10 JEEE C#CCN(CC#CC)c1nnc(COc2ccc(Cl)cc2Cl)n1CCS(=O)(=O)NC 1748902456 GHDPUVAZOAONRK-UHFFFAOYSA-N 470.382 2.176 30 10 JEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCCN(C(=O)CC2CCCC2)CC1 1749019608 AODQFTHYUDBQTH-UHFFFAOYSA-N 472.659 2.500 30 10 JEEE C=C(Br)Cn1c([C@H]2CCOC2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1749101317 ABRDLOBNDIQFKX-RYUDHWBXSA-N 452.275 2.195 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(C(N)=O)CC1 1749121046 KCGIAPPZOYFXMU-QUCCMNQESA-N 473.599 2.032 30 10 JEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2ccsc2)CC1 1749457075 FPDIFTVBPPTLHX-IBGZPJMESA-N 465.645 2.157 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCN(c2ncccc2C#N)CC1 1749680688 NWDOZBZYJCSGNY-UHFFFAOYSA-N 492.971 2.406 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN([C@H](C)c2ccsc2)CC1 1749721302 GIXMJQCILRSSSN-GOSISDBHSA-N 492.671 2.060 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cn2ccc3ccccc32)nnc1N1C[C@H](C)O[C@H](COC)C1 1749738053 DDOPFUWPIPMMFB-ICSRJNTNSA-N 473.599 2.122 30 10 JEEE C[C@@H]1COCCN1CCn1c(COc2ccc(Br)cc2)nnc1N1CCO[C@@H](C#N)C1 1752419893 GSBKGZRNXRFDQS-APWZRJJASA-N 491.390 2.069 30 10 JEEE C#CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)CC(=O)N1CCOCC1 1760129556 RGXKNVULZKEFBB-UHFFFAOYSA-N 452.559 2.246 30 10 JEEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1760162135 ZRULIHODOUQENR-SVPADUAOSA-N 486.661 2.042 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H]1CCCN(CC(C)C)C1)[C@H]1CCS(=O)(=O)C1 1760183990 FUENPFLTMDXHCV-RTWAWAEBSA-N 470.643 2.335 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCN1CCCCCC1)[C@H]1CCS(=O)(=O)C1 1760184308 VJDKGKNCODEVKZ-NRFANRHFSA-N 486.598 2.356 30 10 JEEE C#CCN(c1nnc(-c2cc(-c3ccccc3)on2)n1CCCCCO)[C@@H]1CCS(=O)(=O)C1 1760190614 XWLKYFFUAOQBPG-LJQANCHMSA-N 469.567 2.389 30 10 JEEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1C[C@]1(O)CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1760191083 AGJMQGCIIVXTAX-YDIMBITNSA-N 488.610 2.044 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1CCN(C(C)=O)CC1 1760219318 AUGUANUZQGXETH-QFIPXVFZSA-N 498.628 2.308 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@]2(OCC)CCOC2)n1CCc1n[nH]c(C)n1 1760240585 VPBXVLZPSGFISL-HSZRJFAPSA-N 453.522 2.378 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H]2CC=CCO2)CC1 1760265006 KLSJKXYZXMUCGW-JOCHJYFZSA-N 476.581 2.458 30 10 JEEE C=CCC(C)(C)Cn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1760414047 CMYWKOSKSUGHJQ-UHFFFAOYSA-N 471.631 2.163 30 10 JEEE C=CCCOCCn1c(-c2ccc[nH]2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1760448951 VQSZKDSTOSLKFJ-DENIHFKCSA-N 455.607 2.245 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N(C[C@H]1CCOC1)C1CC1 1760516167 WQNWCMYBVWTHPQ-CQSZACIVSA-N 463.380 2.354 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1760517573 QQMBRKAFUMIDPW-INIZCTEOSA-N 462.501 2.201 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)C1CCC2(CC1)OCCO2 1760526251 ISVGPUDXWXYOIJ-UHFFFAOYSA-N 466.542 2.153 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C/C(C)=C/c1ccccc1 1760554905 QKOIZPQMFDDRMT-POLXVDLBSA-N 478.640 2.321 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 1760555404 FIEANQWOOLIKSJ-MJGOQNOKSA-N 496.655 2.374 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@@H](C#N)C1 1760557758 VTXIARXFYWAIOG-FQEVSTJZSA-N 473.599 2.484 30 10 JEEE CC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1)OC 1764280888 AKPMKRNQXNTKSY-VQTJNVASSA-N 488.614 2.158 30 10 JEEE COCCN(CCC#N)c1nnc(-c2ccc3ccccc3n2)n1CCC(=O)N1CCOCC1 1769841433 CMOSXHAFZCIXEC-UHFFFAOYSA-N 463.542 2.109 30 10 JEEE CCCCCCCCNC(=O)[C@@H](CC(N)=O)NC(=O)c1ccc(=O)n(Cc2ccccc2)c1 1861247233 WKUSNUSQTCVRBG-OAQYLSRUSA-N 454.571 2.347 30 10 JEEE C=CCN(CC=C)C(=O)[C@H](CCSC)NC(=O)CCS(=O)(=O)c1ccc(NC(C)=O)cc1 1868740786 UYCQBJPNXYXVRZ-FQEVSTJZSA-N 481.640 2.247 30 10 JEEE N#Cc1nnn(-c2ccc3cc[nH]c3c2)c1NC(=O)c1ccc(N2C[C@H](C(=O)O)CC2=O)cc1 1870150689 HDYUOAHGMNJUPT-OAHLLOKOSA-N 455.434 2.310 30 10 JEEE C=CCn1cc(OCC(=O)NCCc2ccccc2)c(=O)cc1CN1CCN(c2ccccn2)CC1 1870519492 ULNGRHDZSZPMBW-UHFFFAOYSA-N 487.604 2.489 30 10 JEEE C=CCn1cc(OCC(=O)Nc2cc(OC)ccc2OC)c(=O)cc1CN1CCC(CO)CC1 1870736551 HDTUXZYEGYAVRM-UHFFFAOYSA-N 471.554 2.273 30 10 JEEE COc1ccc(/C=N/n2c(SCC(N)=O)nnc2[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1OC 1874209779 GMGJTVIVOJRSQE-ROJKJRQJSA-N 494.577 2.271 30 10 JEEE CC(=O)Nc1ccc(Br)c(C(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)c1 1889570391 GVTDNEKQPMEVJN-UHFFFAOYSA-N 491.430 2.280 30 10 JEEE CN(CC1CCN(C(=O)C[C@H]2CSc3nc4c(c(=O)n32)CCC4)CC1)c1ncccc1C#N 1890385409 QSALXYNMVJRNDT-SFHVURJKSA-N 464.595 2.411 30 10 JEEE Cc1cccc(S(=O)(=O)NCc2ccc(C(=O)N(C)C3CN(c4nccnc4C#N)C3)cc2)c1 1891795381 LSBZNAKNTPHTMR-UHFFFAOYSA-N 476.562 2.096 30 10 JEEE Cc1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H](O)C2)cc1B1OC(C)(C)C(C)(C)O1 1963042792 ZBSPHQUIRXJQMB-SFHVURJKSA-N 460.380 2.348 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)OC(C)(C)C1 2180980889 NLGHOTFOBDHOSF-HNNXBMFYSA-N 462.356 2.129 30 10 JEEE CC1(C)OB(c2cncc(C(=O)N3CCN(C(=O)OCc4ccccc4)CC3)c2)OC1(C)C 2247927407 IGQDUFALAQUKEB-UHFFFAOYSA-N 451.332 2.475 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H]1NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2247962246 MAYVZMIOWVXJDY-TZMCWYRMSA-N 458.411 2.239 30 10 JEEE Cc1sc(C(=O)N[C@H](CO)CNC(=O)OC(C)(C)C)c(C)c1B1OC(C)(C)C(C)(C)O1 2255601738 ISMDPABAQXJKQK-AWEZNQCLSA-N 454.398 2.280 30 10 JEEE CC(C)(C)OC(=O)N1CC([S@](C)(=O)=NC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)C1 2255639759 GZILSTAXNDWMHH-HKBQPEDESA-N 471.410 2.300 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1NS(=O)(=O)Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2255794228 IZPLLKLUGFCQKA-SJORKVTESA-N 452.382 2.071 30 10 JEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)CCN1C(=O)[C@H]1C[C@H](B2OC(C)(C)C(C)(C)O2)C1 2255850839 KBIZZCFRMHSREP-SHTZXODSSA-N 458.386 2.268 30 10 JEEE CC(C)(C)OC(=O)N1[C@H]2C[C@H]1CN(S(=O)(=O)c1cc(B3OC(C)(C)C(C)(C)O3)cs1)C2 2255941913 KSWXUTQWAOPLFL-GJZGRUSLSA-N 470.422 2.430 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)sc1CNC(=O)[C@@H](CCO)NC(=O)OC(C)(C)C 2256675143 DVQBKLGLLJCSBG-CQSZACIVSA-N 454.398 2.248 30 10 JEEE CC(C)(C)OC(=O)NCCO[C@@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)C1 2267148073 WEFKHEWPCZUQLH-CQSZACIVSA-N 467.397 2.198 30 10 JEEE CO[C@H]1CN(C(=O)c2nc(C)sc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1NC(=O)OC(C)(C)C 2267165928 LKUTXZGRHOQHBA-KBPBESRZSA-N 467.397 2.115 30 10 JEEE Cc1nc(C(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)CCO2)c(B2OC(C)(C)C(C)(C)O2)s1 2267247031 WIUGCNLDHGUECY-AWEZNQCLSA-N 467.397 2.116 30 10 JEEE CC(C)(C)OC(=O)N1CCN(CCNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)CC1 2267526916 ZGWQFGBRZXEIJC-UHFFFAOYSA-N 465.425 2.330 30 10 JEEE COCC[C@H](CNC(=O)c1c(C)nsc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2267527254 DPPMBCNXYZJKFT-CQSZACIVSA-N 469.413 2.410 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)C2CC(B3OC(C)(C)C(C)(C)O3)C2)[C@H](S(C)(=O)=O)C1 2267579145 OGFAEHUSWGDGJH-SSHXOBKSSA-N 472.413 2.008 30 10 JEEE CC(C)(C)OC(=O)N[C@H](C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)C1=CCC=CC1 2268602145 GTQSUZBTHVGVDR-AWEZNQCLSA-N 462.381 2.367 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)Nc1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2268643042 IXNJFJDBVTXAIN-YOEHRIQHSA-N 450.316 2.434 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1CC(F)(F)CN1C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2278906341 BEIUMOMZGLTUND-LBPRGKRZSA-N 456.299 2.083 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1[C@H]2C[C@@H](CN(c3cccc(B4OC(C)(C)C(C)(C)O4)n3)C2)[C@@H]1CO 2281502799 YRBNCLWZVPMJAY-BOSXTWCSSA-N 459.396 2.339 30 10 JEEE Cn1ncc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC3(CC3)C2)c1B1OC(C)(C)C(C)(C)O1 2281816606 ZDVULYRQUHQOIE-OAHLLOKOSA-N 460.384 2.239 30 10 JEEE Cc1cnc(C(=O)N2[C@H]3CC[C@H]2CN(C(=O)C(F)(F)F)C3)c(B2OC(C)(C)C(C)(C)O2)c1 2281956183 UZBWCKVUCHFGTL-KBPBESRZSA-N 453.270 2.067 30 10 JEEE Cn1cc(C(=O)Nc2ncccc2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2281975023 ZRBZJCQMCJZVBW-UHFFFAOYSA-N 457.340 2.391 30 10 JEEE COC(=O)[C@H](CCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)oc1C)NC(=O)OC(C)(C)C 2282050350 AXLHZSRYHDLELZ-HNNXBMFYSA-N 466.340 2.073 30 10 JEEE C[C@@H]1CC[C@H](CNC(=O)C(F)(F)F)N(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2282189144 GGVPETIEJHSRAF-UKRRQHHQSA-N 455.286 2.300 30 10 JEEE C[C@@H]1CC[C@H](CNC(=O)C(F)(F)F)N(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cn2C)C1 2282190926 KKNSHYXNGIDXTQ-UKRRQHHQSA-N 457.302 2.244 30 10 JEEE CC1(C)OB(c2cscc2S(=O)(=O)N2C[C@H]3CC[C@H]2[C@@H](NC(=O)C(F)(F)F)C3)OC1(C)C 2282506050 MOHWJVVMODZQSP-UBHSHLNASA-N 494.366 2.267 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(C(=O)OC(C)(C)C)[C@@H]2COC[C@H]21 2282597574 HXLHFAJVGUNAAY-HUUCEWRRSA-N 479.408 2.211 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H]3C[C@@H]3[C@H]2CNC(=O)OC(C)(C)C)n1 2282599513 POFGXBNFZSXFTC-YQQAZPJKSA-N 460.384 2.187 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C2(CCC2)C1 2282650362 LOTXWQWRUFTDPD-UHFFFAOYSA-N 458.368 2.391 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)Nc1c(CNC(=O)OC(C)(C)C)cnn1C 2282690309 UEGCQKVOPGEATM-UHFFFAOYSA-N 459.356 2.335 30 10 JEEE C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2c(cccc2B2OC(C)(C)C(C)(C)O2)C1 2283970588 UNUSOFHFIYAOPP-HNAYVOBHSA-N 460.380 2.145 30 10 JEEE Cn1nc(C(=O)N2CC(F)(F)C[C@H]2CNC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2296412864 FIPBGPMQCAIZJL-ZDUSSCGKSA-N 470.326 2.094 30 10 JEEE CC(C)N1C[C@H](c2nnc(SCC(=O)NCc3ccco3)n2N=Cc2ccc(O)c(O)c2)CC1=O 2329022131 SRWAQQIBUHHHQB-MRXNPFEDSA-N 498.565 2.297 30 10 JEEE COc1ccccc1CN/C(=N\C(=S)NCCCN1CCOCC1)Nc1nc(C)cc(C)n1 14156224 ZXOGGDKMFIMNRS-UHFFFAOYSA-N 471.631 2.257 30 10 JEEE COc1ccc(/C(C)=N/Nc2nnc(SCC(=O)Nc3ccccc3[N+](=O)[O-])n2N)cc1OC 21317076 RHZBHFDJRACOTB-FSJBWODESA-N 486.514 2.484 30 10 JEEE CCCCCCCCO[C@@H]1O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 105496062 RNGLREVZONTJLS-MLBCHFTJSA-N 460.520 2.447 30 10 JEEE COc1ccc([C@H]2/C(=C(/O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN2CCOCC2)cc1 111276570 ACDCCZUFTXDRNZ-FEYWKWKCSA-N 480.517 2.220 30 10 JEEE COc1ccc(N2NOC(=O)/C2=C/C(=NC(=O)c2ccccc2)C(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 585673604 JXQFMGVDTMHNDC-MDJXAABOSA-N 478.505 2.279 30 10 JEEE CCC(CC)C(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccc(OC)nc1 729672227 CPCKGJAMFIVKOE-UHFFFAOYSA-N 473.558 2.459 30 10 JEEE N#CC(C#N)=c1sc(=Cc2cc([N+](=O)[O-])ccc2Cl)c(=O)n1-c1ccc2c(c1)OCCO2 797654888 ZZIGDRAZYHFAJG-UHFFFAOYSA-N 466.862 2.258 30 10 JEEE CNC(=O)COc1ccc(C(=O)O[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)cc1OC 920587454 BWXLWRXEQULBHN-LBPRGKRZSA-N 457.508 2.426 30 10 JEEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)NC1CCN(S(=O)(=O)Cc2ccccc2)CC1 1126293009 CSNOBEULEAYOAA-UHFFFAOYSA-N 456.568 2.319 30 10 JEEE C#C[C@@H](NC(=O)c1cc(S(=O)(=O)NCC(N)=O)ccc1Cl)c1ccc(Cl)cc1F 1140477345 DWDQDXLPTDKASJ-MRXNPFEDSA-N 458.298 2.000 30 10 JEEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)Sc1nnc(C[C@@H]2CCS(=O)(=O)C2)o1 1248553189 HWGULPXNJJRDMK-CABCVRRESA-N 464.569 2.483 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2sc(C)nc2C)c1 1286312622 ZAYIEBWJEHJUPC-GOSISDBHSA-N 498.634 2.358 30 10 JEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1286324060 NYQKVAUIWMBAAW-OAGGEKHMSA-N 463.526 2.049 30 10 JEEE C#CCN(c1nnc(C(C)C)n1C[C@@H](c1ccc(C)o1)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1286386297 YFNCVHAFXNJIML-UXHICEINSA-N 475.615 2.003 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCCN1CC)[C@H]1CCS(=O)(=O)C1 1286387340 CSWHNWKQBLIEBY-VXKWHMMOSA-N 466.611 2.318 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1CC1CCC(OC)CC1)[C@@H]1CCS(=O)(=O)C1 1286391394 HZENUIGGQUGVKD-SKINQDTJSA-N 477.656 2.466 30 10 JEEE C#CCN(CC)c1nnc(COc2ccc(Br)cc2)n1CCN1CCN(C(C)=O)CC1 1286451197 URUUFEKMSCKSKK-UHFFFAOYSA-N 489.418 2.243 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@H]1CCN(S(C)(=O)=O)C1 1286459753 PKTWLNVMVJWRDM-IBGZPJMESA-N 482.610 2.169 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@]1(N(C)C)CCC[C@H](C)C1 1286517788 VZNVWMHOFHZCOE-HXHBTQRASA-N 450.653 2.391 30 10 JEEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2cccc(F)c2)CC1 1286619461 AUOBZUDIBLXKJZ-OAHLLOKOSA-N 456.975 2.102 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(N(C)C)c(F)c2)CC1 1286645290 AUEXMXSNEJMYOU-HXUWFJFHSA-N 478.594 2.021 30 10 JEEE Cc1ccc(NC(=O)c2nnc(N3CCC(C#N)CC3)n2C[C@H]2CCN(S(C)(=O)=O)C2)cc1C 1289728608 DVJHNLHUNJZEMT-IBGZPJMESA-N 485.614 2.169 30 10 JEEE CN(C)C(=O)CC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCc2cnn(C)n2)CC1 1297966013 GCEODSIJVXRSSG-UHFFFAOYSA-N 491.600 2.185 30 10 JEEE C#CCCCCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1300366121 FPKWUCVCFDARMK-LJQANCHMSA-N 450.522 2.343 30 10 JEEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1300371352 CRLIXFXBNHUBLY-LJQANCHMSA-N 467.599 2.483 30 10 JEEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1300409652 JERNWNKOMKNZTQ-GOSISDBHSA-N 490.534 2.370 30 10 JEEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccc(-n2ccnc2C)nc1 1300441625 UKDZTRCCMNAIDO-UHFFFAOYSA-N 461.551 2.355 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1CC(=O)N(C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1300495015 BKQZIPDLVONDFT-FQEVSTJZSA-N 471.627 2.152 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC1(O)CCN(C(C)C)CC1 1300529303 IWKJJLFOHDSGIA-UHFFFAOYSA-N 457.582 2.439 30 10 JEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCN1CCCO[C@H](C)C1 1300534440 BRNNTJDVTJOULB-JOCHJYFZSA-N 476.629 2.026 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccc(Br)cc2)n1C[C@H]1CCS(=O)(=O)C1 1300548586 LQMYDCNAJTUOOI-MRXNPFEDSA-N 477.384 2.127 30 10 JEEE C#CCN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H](N1CCOCC1)C(F)(F)F 1300602404 DEHHOQRCGUNCIX-FXAWDEMLSA-N 459.513 2.041 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2CCC2(O)CCOCC2)CC1 1300727379 YVKFKXREPGBKOZ-UHFFFAOYSA-N 487.551 2.045 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2csc(C)n2)CC1 1300876868 VCENNKLRWMPIGM-AZUAARDMSA-N 473.647 2.485 30 10 JEEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 1300983356 HWBCPHNXEVIOFR-UHFFFAOYSA-N 485.614 2.172 30 10 JEEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H]2CCCCCC[C@@H]21 1300989707 FRYXERABIVCYEI-AABGKKOBSA-N 467.636 2.363 30 10 JEEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1301137465 RQYFTOAMYLXWNB-IRXDYDNUSA-N 454.641 2.184 30 10 JEEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCCN1CCOCC1 1301295841 AUSVMEJHLUNLBF-LJQANCHMSA-N 464.611 2.321 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2ccc(OC)cc2OC)C1 1301558295 UYBDKDIZBLQDJY-UYAOXDASSA-N 476.599 2.221 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)ccc2C)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1301593933 YAGHNEJFCDYSFD-VQTJNVASSA-N 487.626 2.132 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1CCCSC)[C@H]1CCS(=O)(=O)C1 1358958168 IXRNLKGZIVXVLE-KRWDZBQOSA-N 464.613 2.342 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(COCC)cc1)[C@@H]1CCS(=O)(=O)C1 1358966180 JIBNZHMRJSNPRK-HSZRJFAPSA-N 496.637 2.351 30 10 JEEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cccc(N2CCOCC2)c1 1358970261 JXLUNARUNJOFLZ-AREMUKBSSA-N 463.582 2.276 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCOc2ccccc2)CC1 1359038372 UDADCVDMQVZGJU-UHFFFAOYSA-N 450.568 2.104 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2C[C@@H]2CC(=O)N(c3ccccc3)C2)CC1 1359045368 FECCQTOFVNLOPJ-HXUWFJFHSA-N 462.598 2.496 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCN(C(C)C)C(C)C)CC1 1359165197 KANSOBWOWWUHEJ-FQEVSTJZSA-N 468.668 2.276 30 10 JEEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCN(C)C(C)(C)C1 1359241601 WGZYDFQNQFZUTI-IBGZPJMESA-N 477.654 2.235 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1359303985 HNBHVMNLPQAGAC-CYFREDJKSA-N 455.559 2.160 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(C)(C)N2CCC[C@@H](C)C2)C1 1359313294 JUUGARZUJGEDAP-CEXWTWQISA-N 468.668 2.180 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CC[C@@H](C(N)=O)C1 1359328917 RREOIBAIFPPGPV-MRXNPFEDSA-N 463.629 2.188 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN(c2c(C#N)cnc3ccccc23)CC1 1359333165 PONGLMMQQNMDNY-UHFFFAOYSA-N 465.583 2.188 30 10 JEEE CC(C)OCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1360396991 CTBVFHSUXARFPW-HXUWFJFHSA-N 458.588 2.246 30 10 JEEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)c1cc2oc(=O)[nH]c2cc1F 1464532858 QXLXRJWNJPQCJQ-UHFFFAOYSA-N 453.492 2.284 30 10 JEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H](c1ccc(F)cc1F)c1nccn1C 1472277240 IAAADTYBQPNMJA-BFUOFWGJSA-N 459.478 2.143 30 10 JEEE C#C[C@H](NS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1)C1CCOCC1 1475514727 KPQFIERXRDPQSL-FVJLSDCUSA-N 454.614 2.060 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H](C(C)C)N1CCOCC1 1507522983 ZTBMHLJANJBWGD-NQIIRXRSSA-N 459.616 2.163 30 10 JEEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CC(=O)NC(C)(C)C 1507588258 HYXJKIGSWAISHT-KRWDZBQOSA-N 462.595 2.351 30 10 JEEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1C[C@@H](C)COC)[C@H]1CCS(=O)(=O)C1 1507640132 PSJHYOWWRQXWAB-UXHICEINSA-N 460.600 2.383 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](OC)c1ccc(Cl)cc1 1507690688 VEARRZBNVZXUOX-OALUTQOASA-N 482.006 2.112 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(C)C)n1C[C@@H](N1CCOCC1)C(F)(F)F 1507699361 GFCFQHDXCZTGKI-LJQANCHMSA-N 496.509 2.458 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCC=C 1507702341 UILSJCLCMKUTJE-HXUWFJFHSA-N 461.563 2.356 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccccc3Br)n2CCC(=O)NC(C)C)CC1 1507722997 QMXYOJRGRZFUEQ-UHFFFAOYSA-N 459.392 2.378 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2CCCN2CCN(CC)CC2)CC1 1507735966 BUIGBJOCRODJTP-UHFFFAOYSA-N 481.620 2.078 30 10 JEEE C#CCSCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)CCS(C)(=O)=O 1507750778 DXWOKEPVDIJPBW-UHFFFAOYSA-N 485.676 2.240 30 10 JEEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1cccs1 1507751870 SKDDFONATPBHLJ-IAGOWNOFSA-N 481.669 2.380 30 10 JEEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)CCN(C)c1ccccc1 1507774735 BCBVQDDVNUNGIJ-OAHLLOKOSA-N 471.425 2.370 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ccccc2F)CC1 1507902546 KLUAQPNHNZMGGX-FQEVSTJZSA-N 463.579 2.395 30 10 JEEE C=CCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1507957164 WFHTVMYVVQYTBC-UHFFFAOYSA-N 472.977 2.404 30 10 JEEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(=O)NCCc1ccccc1 1507984396 VWKOEVITFFHNKM-UHFFFAOYSA-N 460.586 2.433 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCN(C(=O)OCC)CC1 1508075155 VIBJHXJXYYJIMZ-UHFFFAOYSA-N 495.353 2.427 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(OC)c(OC)c2OC)C1 1508126263 UBLSZAUFAGYIAA-IAGOWNOFSA-N 457.531 2.085 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCC[C@@H]1C 1519149678 BAOXOJNRJNLINB-UGKGYDQZSA-N 486.642 2.189 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1cccc(C(=O)N[C@@H](C)CC)c1)[C@@H]1CCS(=O)(=O)C1 1539216752 WSQSYLGNZYJKMD-GHTZIAJQSA-N 494.621 2.477 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1Cc1ccc(-n2cncn2)nc1 1539242651 ZLFUTNBDRZBIRD-UHFFFAOYSA-N 476.342 2.143 30 10 JEEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H]2[C@@H](C)CCN2C(=O)OC(C)(C)C)CC1 1539444410 NRBFWBMFJRGLBG-AZUAARDMSA-N 468.606 2.079 30 10 JEEE C#CCN1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2C[C@](C)(O)CCC(C)C)CC1 1539446435 ZOBUGWFHSVJKOY-XMMPIXPASA-N 487.674 2.181 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC2=CCCCC2)CC1 1539482080 QWVZBLDGHWKYSW-FQEVSTJZSA-N 459.616 2.037 30 10 JEEE C#CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@@H](NC(=O)CC)C1 1539511093 QBAYIGDVODKXFJ-MRXNPFEDSA-N 465.583 2.455 30 10 JEEE C=C(Br)Cn1c(-c2ccccc2C)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1539586111 IFWVUGXOCQRAAG-UHFFFAOYSA-N 489.418 2.143 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 1539706653 NMXHFVVTEWLRDX-ZWKOTPCHSA-N 498.650 2.023 30 10 JEEE C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1)N(C)C(=O)OC(C)(C)C 1541837686 FTNUMUNSXFKEKZ-MRXNPFEDSA-N 453.547 2.398 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCCN1C[C@@H](C)C[C@@H](C)C1 1543595515 ARYMDLSQOJNUMQ-OYRHEFFESA-N 493.660 2.378 30 10 JEEE Cc1nc(S(=O)(=O)N2CCC(C(=O)N3CCC(c4ccc(C#N)cc4)CC3)CC2)cn1C 1585431317 CPVMTNNDMHPMEX-UHFFFAOYSA-N 455.584 2.407 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H]1CCc2ccccc21 1587639399 LJFMACHZFQPPBO-DSKINZAPSA-N 457.600 2.189 30 10 JEEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)Cc2cccc(F)c2)CC1 1587759370 SVWSOCITEDZIBP-OAQYLSRUSA-N 466.561 2.453 30 10 JEEE C#CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1587818276 TVEZRJOSSMYTTK-SFHVURJKSA-N 466.586 2.165 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC(C)(C)c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1588024829 NIASUXOWNCCAHA-LJQANCHMSA-N 475.590 2.160 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccc(CN2CCC(O)CC2)cc1)[C@@H]1CCS(=O)(=O)C1 1588030287 SBOKOYAJFKPPDN-JOCHJYFZSA-N 499.681 2.207 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1ccc(N(C)C)cc1C)[C@H]1CCS(=O)(=O)C1 1588064496 JCYHDDREHKCGGR-QHCPKHFHSA-N 478.622 2.313 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)CC1 1588769859 ZUPCIOILEYQKCI-LJQANCHMSA-N 450.518 2.085 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H](c2ccsc2)N(C)C)CC1 1588929807 HEHIVVIFHLQLIP-ICSRJNTNSA-N 456.616 2.112 30 10 JEEE C#CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](CNC(C)=O)C1 1589124898 DHJZMWDGQVWSSS-MOPGFXCFSA-N 492.646 2.058 30 10 JEEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N(C)CCCNC(=O)C1CCC1 1589443762 XZXKPAOFTURFRQ-UHFFFAOYSA-N 453.385 2.052 30 10 JEEE C=C(C)COCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1593711921 MFQPWPOJNVWOHI-XMMPIXPASA-N 463.542 2.224 30 10 JEEE C=CCCOCCn1c(Cc2cccnc2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1594819818 MOHYQWLIOAUUJU-ZJSXRUAMSA-N 481.645 2.236 30 10 JEEE C=CCOc1ccc(Cn2c(CC(C)C)nnc2N2CCN(C(=O)CN3CCOCC3)CC2)cc1 1595614021 MFRWWDZPRYKNLE-UHFFFAOYSA-N 482.629 2.071 30 10 JEEE CC(C)NC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@](F)(C#N)C1 1610076653 AZSWMKIOSVJIEG-OPAMFIHVSA-N 463.558 2.359 30 10 JEEE CCCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1614985523 BAGPKMROIKQARI-UHFFFAOYSA-N 472.597 2.374 30 10 JEEE CCOC(=O)N[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)NC(C)C)C1 1616026258 AOLQQEHRGWTTPS-LJQANCHMSA-N 483.573 2.358 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1cccc(NS(=O)(=O)c2ccc3nnn(O)c3c2)c1 1648749977 IBXRVCQYVBHCHU-MGPUTAFESA-N 457.512 2.180 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CCc1ccccc1F)[C@H]1CCS(=O)(=O)C1 1689982069 HHKSHEALKHFPIP-RDPSFJRHSA-N 490.601 2.327 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@](C)(O)[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1689992426 KSQBMTVDBYRQOW-WWEVIYMKSA-N 474.627 2.301 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1CC[C@@]2(CCOC2)O1 1689999937 NAKXFNCOAPZFIU-YKSBVNFPSA-N 467.957 2.272 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(Br)c2)n1CCN1CCN(C(C)=O)CC1 1690062137 DRONRTMWRVMIDR-UHFFFAOYSA-N 459.392 2.331 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC(=O)NCC(F)F 1690072403 HFSDOIZDZDOGFY-UHFFFAOYSA-N 457.485 2.077 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H]2CCC[C@H](O)C2)CC1 1690113190 CFQSGCJGOCTGMY-AEFFLSMTSA-N 461.408 2.352 30 10 JEEE C=C(Br)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1C[C@H](OC)[C@H](OC)C1 1690226587 DVGRMAOZSZFUGS-CALCHBBNSA-N 489.374 2.434 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C(CC)CC)N(C)C)CC1 1690375220 DECAEODHNPUUDE-VQTJNVASSA-N 468.668 2.134 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](c2ccccc2)O[C@H](C)C1 1690678414 VTZCKFWGIGYXIB-KHHDVDEJSA-N 455.559 2.271 30 10 JEEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)N2C[C@H](C)O[C@H](C)C2)CC1 1690838116 BJMXXIRCRSCHMJ-KDURUIRLSA-N 465.602 2.373 30 10 JEEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1Cc1cccc(N2CCOCC2)n1 1705548162 XTAHGKISTNXEHY-UHFFFAOYSA-N 470.375 2.395 30 10 JEEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@@](C)(O)c1ccco1)[C@@H]1CCS(=O)(=O)C1 1705565740 VTUQWRIRKLMXJK-OPAMFIHVSA-N 458.515 2.212 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H](OC)C(C)(C)C)CC1 1705634089 JDLWMAGYPIXHBU-FQEVSTJZSA-N 459.616 2.165 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(OC)c(F)c2)CC1 1705652801 NWZVOJRFJIIYSR-UGKGYDQZSA-N 485.560 2.164 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1705661755 IMRXORSGKCWOLJ-ZCNNSNEGSA-N 455.609 2.290 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1705709350 NUVGPSIXPDFQSK-PGRDOPGGSA-N 455.559 2.464 30 10 JEEE C=C(C)COCCn1c(N2CCO[C@]3(CCO[C@H]3C)C2)nnc1[C@]1(OC(C)C)CCOC1 1705740303 HPMAITLFJAALCT-PMOQBDJRSA-N 450.580 2.296 30 10 JEEE C=CCC(C)(C)Cn1c(N2CCN(S(C)(=O)=O)[C@@H](C)C2)nnc1[C@]1(OCC)CCOC1 1705802295 HCSKLFVOVNIKLY-UWJYYQICSA-N 455.625 2.003 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC(CC(=O)NC)CC1 1705907851 ZPPHSGKNGKGJNF-UHFFFAOYSA-N 454.575 2.129 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](c2nc(C)c(C)s2)C1 1705934365 KBTYZMFMQSOZRU-DLBZAZTESA-N 478.644 2.287 30 10 JEEE CC[C@H](C)[C@](C)(O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1708347290 FHCHVJJAGDAZIB-FROCWPDGSA-N 452.559 2.476 30 10 JEEE CCN(CC)CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)CN(C)C)CC1 1710045835 DCARHUSPMCZAPF-UHFFFAOYSA-N 480.661 2.395 30 10 JEEE N#Cc1ccc(OCc2nnc(N3CC[C@](F)(C#N)C3)n2CCCN2CCC(O)CC2)cc1 1712880398 IDANOPXNRXJZGT-QHCPKHFHSA-N 453.522 2.018 30 10 JEEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1722326126 FHCOOKLMEYWLQX-LJQANCHMSA-N 461.574 2.465 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1Cc2cccc(Br)c2C1 1722332813 PAFXQLNRKYWHKL-GOSISDBHSA-N 494.415 2.307 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1cc(F)ccc1N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1722358006 BXMOLOWTGUXQRA-HXUWFJFHSA-N 489.617 2.226 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCc1ccccc1C)[C@@H]1CCS(=O)(=O)C1 1722369830 HMZIQSWDPJQPAJ-BDTNDASRSA-N 472.611 2.180 30 10 JEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1C[C@@H]1CCOC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1722372126 PPMFZJSJLWABGG-HJNYFJLDSA-N 486.638 2.371 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@](C)(O)[C@@H](C)CC 1722394558 WTNVCUFWDOCASV-FDDCHVKYSA-N 456.616 2.498 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCCN(C)C2CCCCC2)CC1 1722440842 LOUMQTFDYOMXLV-UHFFFAOYSA-N 471.650 2.037 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@H]2COCCO2)CC1 1722443236 FGHBFNPABLQLGX-HNNXBMFYSA-N 494.415 2.150 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCN2CCCC(C)(C)C2)CC1 1722445804 DJZXOQVXUGJHDP-UHFFFAOYSA-N 451.619 2.371 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@@H]2CCN(c3ccccc3F)C2)CC1 1722450371 FZQKHIDMQCIWQD-LJQANCHMSA-N 468.577 2.446 30 10 JEEE C#CCSCCn1c(-c2cccnc2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1722456375 XUMCTFMBYOZHKD-GOSISDBHSA-N 458.588 2.436 30 10 JEEE C=C(Cl)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(C)=O)C[C@H]1C 1722552554 RWOZGQHAPDSHPT-NVXWUHKLSA-N 468.986 2.396 30 10 JEEE C=CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 1722615065 YOVXDJMDFHCBLP-INIZCTEOSA-N 458.588 2.418 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1c(F)cccc1Cl 1722727853 LVLKUWPNKUTUSX-CQSZACIVSA-N 491.010 2.210 30 10 JEEE CC(C)n1nc(-c2nnc(N(C)[C@H](C)CC#N)n2C[C@@]2(O)CCN(C)C2)c2ccccc2c1=O 1723771523 GEIYNOFSHGSTGK-MZNJEOGPSA-N 464.574 2.041 30 10 JEEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1(COC)CCOCC1 1740657144 QOQUNDKBNUKQJE-UHFFFAOYSA-N 477.613 2.358 30 10 JEEE C=C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCC(=O)N2CCOCC2)CC1 1740818690 QVCWFBLKGUKHMD-UHFFFAOYSA-N 472.977 2.267 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(S(=O)(=O)CC)CC1 1740968992 ITZHOSQHGHYFIT-IBGZPJMESA-N 473.599 2.246 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1740994066 LZXKWNMOQAGFKM-MSOLQXFVSA-N 464.563 2.460 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)c1cccc(Cl)c1 1741131915 HVDVADAFKBAGSE-SIFCLUCFSA-N 451.980 2.337 30 10 JEEE CC[C@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@@]1(N(C)C)CCSC1 1743743691 HQKUXYFHEXXCIX-SBUREZEXSA-N 471.679 2.469 30 10 JEEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1748703091 IVBNUMMWWJWBSA-NRFANRHFSA-N 471.627 2.453 30 10 JEEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1748764733 URDLGTQVMWAGMJ-PWRODBHTSA-N 493.674 2.241 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1Cc1ccc([C@@H](C)O)cc1)[C@H]1CCS(=O)(=O)C1 1748811207 DBMSJULBDVYRTI-XLIONFOSSA-N 453.568 2.012 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(OC)ccc2Br)n1CCCS(C)(=O)=O 1748830937 AWGSPPPNLMBNHB-UHFFFAOYSA-N 465.373 2.224 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H](C)CN1CCN(CC)CC1 1748888460 XAJICOQYBHHRQA-OAQYLSRUSA-N 486.624 2.330 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCCn2cc(Br)cn2)CC1 1749010017 GALKOTZADSGVKG-UHFFFAOYSA-N 497.401 2.355 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCN2CCCC(C)(C)C2)CC1 1749342019 AOIWHCIFCLBKBE-FQEVSTJZSA-N 480.679 2.135 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCSC[C@@H]1C 1749666696 PXKFLEURZBITFL-INIZCTEOSA-N 467.599 2.309 30 10 JEEE C=CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1749749773 QDVLEAXFQCILMD-UHFFFAOYSA-N 493.655 2.496 30 10 JEEE C#CCCCCn1c(-c2noc3c2COCC3)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1760135541 ZDOMDPZHEZAIGQ-CQSZACIVSA-N 466.464 2.314 30 10 JEEE C#CCCCCn1c(-c2ccc[nH]2)nnc1N1C[C@@H]2[C@H](C1)[C@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1760135766 IGQSWACQYCDXMC-BHIYHBOVSA-N 488.614 2.203 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1coc(-c2ccc(C)cc2)n1)[C@H]1CCS(=O)(=O)C1 1760182154 HJROYTQVWASUKV-FQEVSTJZSA-N 496.593 2.055 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CCc1cccnc1)[C@@H]1CCS(=O)(=O)C1 1760192892 ZJAFJPLCFYLFHR-HXUWFJFHSA-N 469.542 2.261 30 10 JEEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H](c1ccccc1)N1CCOCC1 1760227631 JKMNGALMRUYBPF-DHLKQENFSA-N 453.587 2.463 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CCCCS1(=O)=O 1760253102 MVFRNCFEJXQKBV-CEXWTWQISA-N 495.646 2.102 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3)n2CCN2CCOC[C@H]2C)CC1 1760255083 BNBXZGJXNNVTSG-GOSISDBHSA-N 473.419 2.184 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC2(C)COC2)CC1 1760273320 OPUUNWHXXWERBN-KDURUIRLSA-N 486.617 2.051 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccn2C)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1760317828 AZQFHKLEXWXCQU-MZKRTTBSSA-N 469.634 2.302 30 10 JEEE C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1760341259 NYMOSBNKFJKSMD-UHFFFAOYSA-N 451.453 2.396 30 10 JEEE C=C(C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(CC(=O)NCC)CC1 1760345608 JJYPUBWLNMDHAA-LJQANCHMSA-N 475.638 2.227 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCOc2ccccc2)CC1 1760402859 WWJOREXXGFYHAU-FQEVSTJZSA-N 461.588 2.092 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCC(CCCN2CCOCC2)CC1 1760522987 IWECFKGPQFRBDJ-UHFFFAOYSA-N 467.618 2.280 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCCN(C(=O)CC2CCCC2)CC1 1760525926 XACKLSBGAAFUQY-UHFFFAOYSA-N 465.602 2.185 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H]2CCCCS2(=O)=O)C1 1760536321 GUWGRSMURZLZLK-WOIUINJBSA-N 468.620 2.067 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC2(C)COC2)C1 1760539920 XTIRLQKRBBDJCU-SFHVURJKSA-N 461.588 2.013 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2CCN2CCN(C(C)=O)CC2)C1 1760543229 NVHBXLGQMYSCNK-IBGZPJMESA-N 474.556 2.093 30 10 JEEE CC(=O)Nc1ccc(Cn2c(CC(C)C)nnc2N2CCN(c3ccc(C#N)cn3)CC2)cn1 1760628749 DNRJTZIZOUVYSK-UHFFFAOYSA-N 459.558 2.472 30 10 JEEE CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H](c1ccco1)N(C)C 1765012738 GFXWUVSSTXJCQA-VQTJNVASSA-N 463.542 2.339 30 10 JEEE CN(CCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@](C)(C(N)=O)C1)CC(F)(F)F 1767332530 BHMJHZRNTLXPKX-NRFANRHFSA-N 479.507 2.315 30 10 JEEE CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(Cn2cc(C)cn2)CC1 1769338834 HTNNXKUMYOAWNB-UHFFFAOYSA-N 462.558 2.286 30 10 JEEE COCC[C@](C)(O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(CC#N)CC1 1770981508 BLSFMOZROLZSJI-DEOSSOPVSA-N 468.606 2.370 30 10 JEEE COc1ccc(Cc2nnc(N3CCN([C@@H](C)C(=O)Nc4ccc(C#N)cc4)CC3)nc2O)cc1 1859429588 HXKYCOYBODJLLM-KRWDZBQOSA-N 473.537 2.197 30 10 JEEE COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2C[C@H](C)O)cc(OC)c1O 1862612207 DBWMSOLLWXMNQU-YUNKPMOVSA-N 471.462 2.140 30 10 JEEE CN1CCN(Cc2cc(=O)c(OCc3ccc(C#N)cc3)cn2CCCN2CCCC2=O)CC1 1870347757 SCKMAGMVHCYQKL-UHFFFAOYSA-N 463.582 2.059 30 10 JEEE N#Cc1ccc(COc2cn(CCCCN3CCCC3)c(CN3CCN(CCO)CC3)cc2=O)cc1 1870350281 XTCKWIYGWWJTNS-UHFFFAOYSA-N 493.652 2.285 30 10 JEEE COc1cc(/C=N/n2c(SCC(N)=O)nnc2C(F)(F)F)cc(Br)c1O 1874460025 LEVSWMCKDWZCHQ-RMOCHZDMSA-N 454.228 2.233 30 10 JEEE O=C(NCC#CCN1CCCC1)[C@H](Cc1ccccc1)NS(=O)(=O)c1cccc(Cl)c1 1891332621 SSWKVZRFQMKQRN-QFIPXVFZSA-N 459.999 2.445 30 10 JEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C(=O)NC2CC(B3OC(C)(C)C(C)(C)O3)C2)[C@H]1OC 2140536361 UVANAPGPQWRCRG-YWWDTZIBSA-N 454.373 2.377 30 10 JEEE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@@H](CNS(=O)(=O)c2ccc(C#N)nc2)C1 2140606390 IRJDPBXUFUBREN-FQEVSTJZSA-N 471.583 2.353 30 10 JEEE CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2248429258 KREIJJOIPNHAAO-LBPRGKRZSA-N 455.411 2.369 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2csc(B3OC(C)(C)C(C)(C)O3)c2)[C@H](O)C1 2255702066 AJKQBEYGDABACB-HUUCEWRRSA-N 452.382 2.147 30 10 JEEE C[C@H]1CCCN(C(=O)OC(C)(C)C)[C@@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2256625830 CBRAVZQQZHHDOF-STQMWFEESA-N 452.386 2.233 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1CC[S@@](=O)(=NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2267292333 BISGNDZIOFJXMO-BYLKAPHFSA-N 467.397 2.467 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](NS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2267471244 FVVKDCLGUYPVTN-HDJSIYSDSA-N 487.453 2.165 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCO[C@H]2[C@@H]1NC(=O)c1ccsc1B1OC(C)(C)C(C)(C)O1 2267476756 CGPUWTLDURJWAL-LCGIIJARSA-N 464.393 2.458 30 10 JEEE Cc1c(B2OC(C)(C)C(C)(C)O2)csc1C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O 2267577863 VXQCJBNLWOUDIC-ZBFHGGJFSA-N 466.409 2.313 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2268634929 LUHQKRSZIQTOIB-CABCVRRESA-N 451.304 2.141 30 10 JEEE COC(C)(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2268648920 GAJKMKYARNKGGY-AWEZNQCLSA-N 469.413 2.377 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2C[C@H](C(=O)N=c3nc(B4OC(C)(C)C(C)(C)O4)[nH]s3)C[C@H]21 2268716758 VLTLRQRMOCTCEK-IGQOVBAYSA-N 464.397 2.137 30 10 JEEE CC1(C)OB(c2cscc2S(=O)(=O)N[C@@H](COCc2ccccc2)CC(=O)O)OC1(C)C 2269039105 DCGULVWWYXRYHK-MRXNPFEDSA-N 481.401 2.386 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](O)CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)c(F)c2)C1 2281785187 JNHVBGHUKHEOJF-JKSUJKDBSA-N 464.343 2.225 30 10 JEEE CC(C)(C)OC(=O)NCC1CCS(=O)(=NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CC1 2281926604 OXSFINIUWXKYIP-UHFFFAOYSA-N 482.412 2.252 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H]2CCN(C(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)C[C@H]2C1 2281978380 CAWJFUXEZJFECA-CVEARBPZSA-N 460.384 2.428 30 10 JEEE Cc1ccnc(C(=O)N2CCC[C@@H](CNC(=O)C(F)(F)F)C2)c1B1OC(C)(C)C(C)(C)O1 2282005120 NXPMRSDUBQAWGY-AWEZNQCLSA-N 455.286 2.220 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(F)c(C(=O)N2C[C@H]3C[C@H]2CN3C(=O)C(F)(F)F)c1 2282018993 FPIKKIBXBKYMCF-QWHCGFSZSA-N 456.245 2.421 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)c3ncc(B4OC(C)(C)C(C)(C)O4)cn3)C[C@@]2(C)C1 2282030092 AGOPJRHSRLWDOH-WNSKOXEYSA-N 458.368 2.105 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](CNC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1(C)C 2282062610 APDCJYOUYKSWNY-GDBMZVCRSA-N 460.384 2.445 30 10 JEEE Cc1c(B2OC(C)(C)C(C)(C)O2)cccc1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1O 2282112208 YUDAEXLJZGINBO-MOPGFXCFSA-N 460.380 2.394 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C2(CC2)C1 2282176997 CWNFDGJAFFGJNE-INIZCTEOSA-N 458.368 2.295 30 10 JEEE CC(C)(C)OC(=O)N1[C@H](CNC(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)C[C@H]2COC[C@@H]21 2282195514 NQLINHICXMMSIT-ZOBUZTSGSA-N 462.352 2.333 30 10 JEEE CC1(C)OB(c2ccc(S(=O)(=O)N3C[C@@H]4OCCN(Cc5ccccc5)[C@H]4C3)s2)OC1(C)C 2282334876 HRWVNWSUBZBFNH-OALUTQOASA-N 490.456 2.321 30 10 JEEE Cc1nc(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)s1 2282522588 MQDVXKZDVGZMKR-ZNMIVQPWSA-N 481.424 2.145 30 10 JEEE C[C@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)C[C@@H]1CCNC(=O)OC(C)(C)C 2282541142 TUPVDKDDNWUHOU-HOTGVXAUSA-N 462.400 2.342 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@H](NC(=O)C(F)(F)F)[C@@H](C)C2)n1 2282552560 QZFRLGBAPFUDOI-WFASDCNBSA-N 455.286 2.218 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1F 2282587766 PNWPEMPAOVYRKC-HZPDHXFCSA-N 466.363 2.280 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2Cl)C1 2282608719 YLFFAGOAIXGPTF-CVEARBPZSA-N 481.786 2.134 30 10 JEEE C[C@@H]1CN(Cc2ccccc2)C[C@H]1CCNC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2282620189 BRQSTGLESBETLT-IEBWSBKVSA-N 453.396 2.002 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)CC(F)(F)F 2282624637 NDDGHTQQBXPXLI-CYBMUJFWSA-N 474.289 2.351 30 10 JEEE CC(C)(C)OC(=O)NC[C@@]12CN(C(=O)c3csnc3B3OC(C)(C)C(C)(C)O3)C[C@H]1CCO2 2282629097 RUPIYVHUMFWCNH-JLCFBVMHSA-N 479.408 2.198 30 10 JEEE CC1(C)OB(c2c[nH]c(C(=O)N[C@@H]3CN(Cc4ccccc4)[C@]4(CCOC4)C3)c2)OC1(C)C 2282642049 ICYVIXNKJIQUHZ-NBGIEHNGSA-N 451.376 2.477 30 10 JEEE CC(C)(C)OC(=O)N1CCN(c2ccc([N+](=O)[O-])c(B3OC(C)(C)C(C)(C)O3)c2)C[C@@H](O)C1 2282931470 FPPUOUBCUXABEK-MRXNPFEDSA-N 463.340 2.312 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)OCC1(C)C 2284012008 SILJXLKQXOZUJS-AWEZNQCLSA-N 481.424 2.473 30 10 JEEE C[C@H](OC(C)(C)C)[C@@H](NC(=O)OC(C)(C)C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2284043699 ZWXLNMIXPNERIS-QWHCGFSZSA-N 484.428 2.295 30 10 JEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C(=O)N[C@@H]2CCC=C2B2OC(C)(C)C(C)(C)O2)[C@H]1OC 2284144470 YIADYLKKTLVJHN-BDXSIMOUSA-N 466.384 2.472 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N1CC[C@H](C)[C@H](NC(=O)C(F)(F)F)C1 2285205261 QKYCSPXQNUOFAI-SWLSCSKDSA-N 455.286 2.218 30 10 JEEE CCN1C(=O)[C@@]2(C(=C(O)c3ccc(C)o3)C(=O)C(=O)N2CCCN2CCOCC2)c2ccccc21 2296937016 AWIQLOBTIORRMB-SANMLTNESA-N 479.533 2.253 30 10 JEEE CC(C)N1C[C@H](c2nnc(SCC(=O)Nc3nccs3)n2N=Cc2ccncc2)CC1=O 2329018109 JACDKBYDQFVJNX-OAHLLOKOSA-N 470.584 2.467 30 10 JEEE COc1cc(C=Nn2c(CNC(C)=O)nnc2SCC(=O)Nc2nccs2)cc(Cl)c1O 2330748028 RDLONFSHLUUWMX-UHFFFAOYSA-N 495.974 2.351 30 10 JEEE CCO[C@@H]1CN(C(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)C[C@H]1CNC(=O)OC(C)(C)C 2359276988 DLXXVPACPNXBED-HUUCEWRRSA-N 481.424 2.444 30 10 JEEE CN[C@@H](C#Cc1ccccc1Br)C1(S(C)(=O)=O)CN(C(=O)OC(C)(C)C)C1 2379889188 CAXKDAWQZFWOGS-INIZCTEOSA-N 457.390 2.423 30 10 JEEE C=CCn1/c(=N/C(=O)[C@H]2CCCN(S(C)(=O)=O)C2)sc2cc(C(=O)OCC)ccc21 13791833 HVOKKZHSTOWTCN-ANNUQZOISA-N 451.570 2.164 30 10 JEEE COc1cc(/C=N/Nc2nnc(SCC(=O)Nc3ccc(C)c(C)c3)n2N)cc([N+](=O)[O-])c1O 21326903 ZPHGOFRFMPXYNL-LSFURLLWSA-N 486.514 2.408 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)NCCCc3nn(-c4ccccc4)c(N)c3C#N)cc2C1=O 33022364 SNSWPJMHUFBZDE-UHFFFAOYSA-N 454.490 2.471 30 10 JEEE C#CCN1C(=O)[C@H](c2c(-c3ccc(OC)cc3)[nH]c3c2c(=O)n(C)c(=O)n3C)c2ccccc21 101859204 JZZDCFUDHOLACT-IBGZPJMESA-N 454.486 2.353 30 10 JEEE CCOCCCn1c(=NC(=O)c2ccc3c(c2)OCO3)c(C#N)cc2c(=O)n3ccccc3nc21 254509257 AZUUIZDDEBMMOS-UHFFFAOYSA-N 471.473 2.417 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)C[S@@](=O)CC(=O)Nc3cc([N+](=O)[O-])ccc3C)cc21 586311928 CHQUPFLGLDDBJG-MGBGTMOVSA-N 471.491 2.385 30 10 JEEE COC(=O)c1ccc(C=NNc2nnc(SCC(=O)Nc3c(F)cccc3F)n2N)cc1 1084553985 ZXVDXRYMBPXRAA-UHFFFAOYSA-N 461.454 2.234 30 10 JEEE CN(C)c1ccc(C=NNc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2N)cc1 1084595626 JPJDEMRKOLWXKJ-UHFFFAOYSA-N 455.504 2.143 30 10 JEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCN([C@@H](C)c3ccc(F)cc3)C2=O)cc1 1159323844 DRMKXWXVXQPKCZ-HRAATJIYSA-N 457.527 2.219 30 10 JEEE C=CCS(=O)(=O)CCNC(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCCCN2C)cc1 1198665815 ANRACRZELFIJOX-RELWKKBWSA-N 456.590 2.002 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCOc1ccccc1C(C)C)[C@@H]1CCS(=O)(=O)C1 1286380981 KNMFXIVTARFXKQ-LJQANCHMSA-N 487.626 2.245 30 10 JEEE C#CCN(c1nnc(C2CCC2)n1Cc1ccc(OCCN(C)C)cc1)[C@H]1CCS(=O)(=O)C1 1286389888 SDEOISFHNHBQGP-NRFANRHFSA-N 471.627 2.161 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H](c2ccsc2)N(C)C)CC1 1286472786 KVUYXUSDFNCILZ-URXFXBBRSA-N 472.659 2.438 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1286561312 AZFGEDGZWJMBOA-WIYYLYMNSA-N 458.607 2.076 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)NCCCOC(C)C)CC1 1286627963 UZNNDQGPJWTTID-KRWDZBQOSA-N 452.987 2.129 30 10 JEEE C=C1CCN(c2nnc(CCc3ccc(OC)cc3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1286648135 IAQLEGNNXCMFQU-UHFFFAOYSA-N 460.600 2.168 30 10 JEEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H](C)CN1CCN(CC)CC1 1286716831 MLVUESMSNURERX-IBGZPJMESA-N 488.706 2.442 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CCCN1S(C)(=O)=O 1286768405 FEGCJIRUYZQNHH-GUDVDZBRSA-N 469.652 2.260 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)CC(F)(F)F 1286817174 KISFJJNVOBKJKZ-UHFFFAOYSA-N 494.565 2.146 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 1286818700 MWPANSCMFSPQDC-GOSISDBHSA-N 485.566 2.012 30 10 JEEE CC(=O)N1CC[C@H](CN(C)c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC(F)(F)CO2)C1 1286851745 WPQLGRGHQMFOGU-QUCCMNQESA-N 474.512 2.458 30 10 JEEE CCCC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)NC(C)C)C1 1293740856 BABDPQLETNUYMH-FQEVSTJZSA-N 487.630 2.030 30 10 JEEE C#CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1300362108 KXEDQRIHULQSLV-IBGZPJMESA-N 450.591 2.313 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@H]1CCCN1S(C)(=O)=O 1300618458 FUFLFZXPDHTGHN-GOSISDBHSA-N 497.625 2.119 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1CCC(=O)N1CCCCC1 1300649777 WCJIENPEDXMUOS-HXUWFJFHSA-N 452.534 2.411 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(Br)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1300657216 HHPKMFAQTUDNPF-XUTLUUPISA-N 499.369 2.320 30 10 JEEE C#CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1300762409 JIJDYDUGRLMUOB-QFIPXVFZSA-N 498.653 2.147 30 10 JEEE C=C(Br)Cn1c(N2CCC[C@H](OCCOC)C2)nnc1[C@]1(OCC)CCOC1 1300862685 CFFPRLLTDKZOJL-LPHOPBHVSA-N 459.385 2.471 30 10 JEEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1301135711 OZUCQTOZTDXANC-UHFFFAOYSA-N 471.650 2.251 30 10 JEEE C=CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(NS(C)(=O)=O)CC1 1301216621 NNUJEXCBAYMHQL-UHFFFAOYSA-N 457.560 2.078 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1301492238 BNMYNLUYUHPZQY-MRXNPFEDSA-N 459.982 2.427 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1301515868 ZSZOQMNWKHFOCZ-OAQYLSRUSA-N 465.558 2.262 30 10 JEEE CC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2C[C@@H](C)O[C@H](C)C2)C1 1301817051 AAQMVWZQJJHKIJ-DNVFCKCGSA-N 465.602 2.421 30 10 JEEE CN(CCNS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(C)OCCc2sccc21 1314873256 AFFDNDWHWLMIFQ-QFIPXVFZSA-N 486.623 2.352 30 10 JEEE C#CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1358904467 FBINVSMROOATEN-SFHVURJKSA-N 456.934 2.306 30 10 JEEE C#CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@H](C)C(=O)NC 1358913057 DYDKKIGAUAVANI-ROUUACIJSA-N 462.595 2.208 30 10 JEEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1c(CC)nn(C)c1OC 1358954772 VQKUOBAGQAEGHP-IYBDPMFKSA-N 457.579 2.471 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1C[C@H](c1ccccc1)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1358955552 ODFXXPUKNVOPJQ-FGZHOGPDSA-N 485.654 2.276 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1nnc2n1CCCCC2 1358979287 IMLOWIPECGIEHQ-IBGZPJMESA-N 494.600 2.026 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CC2CCN(CC(F)(F)F)CC2)CC1 1359047421 GMMSKUACYXLCRU-UHFFFAOYSA-N 470.540 2.055 30 10 JEEE C#CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1359051083 LNNQPZYGLODBHP-NRFANRHFSA-N 468.627 2.063 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2cn3ccccc3n2)nnc1N(CC)CCS(C)(=O)=O 1359100645 DUFVCGGDJJKRSP-AVRDEDQJSA-N 472.615 2.369 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC=CCO1 1359256300 BCYDUOABZCPCDU-FGZHOGPDSA-N 498.609 2.020 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1359296033 UUZDCOWURIRLRW-UHFFFAOYSA-N 467.965 2.029 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1 1359302695 QLUIAPZSRJJREO-ICSRJNTNSA-N 481.601 2.402 30 10 JEEE C[C@H](CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1)N1CCCCC1 1360508452 CDVYSFPLGIQKTP-CTNGQTDRSA-N 493.678 2.006 30 10 JEEE CN(CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(C#N)CC1)CC(F)(F)F 1503606986 CQXAJWBJHUDKQO-UHFFFAOYSA-N 460.468 2.155 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2Cc2conc2COC)c1 1507552522 PURFUZLELZTSOO-HXUWFJFHSA-N 450.499 2.369 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@](C)(O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1507627037 IAANCUHITOTVLN-UZLBHIALSA-N 451.980 2.027 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)o2)n1Cc1ccc(NC(C)=O)cc1)[C@H]1CCS(=O)(=O)C1 1507628436 OOPRUPOAYNMMPR-FQEVSTJZSA-N 467.551 2.480 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1CCN1CCCC(C)(C)C1)[C@H]1CCS(=O)(=O)C1 1507631549 QOZOBSLXWAUNGD-FQEVSTJZSA-N 456.616 2.089 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCC(=O)NC(C)(C)C 1507637775 SLDGXLQRDCVSQV-UHFFFAOYSA-N 454.962 2.239 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](c2cccc(F)c2)N(C)C)CC1 1507715928 KFAKMPJFMUFPAW-NRFANRHFSA-N 476.560 2.123 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(OC)cc2F)CC1 1507739098 MSDVEJLIXKDOEC-IBGZPJMESA-N 455.534 2.334 30 10 JEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(OC)CCC(C)CC1)C1CC1 1507992611 GUKNDXZQWBXNNT-IMYXXEESSA-N 467.636 2.361 30 10 JEEE C=CCNC(=O)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CC[C@](C)(C(N)=O)C1 1508071667 CVAWGAFFTWHNDV-QHCPKHFHSA-N 465.583 2.381 30 10 JEEE C=CCOc1ccccc1Cn1c(-c2ccccn2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1508105086 LKIWVTVIGIVXPD-UHFFFAOYSA-N 489.580 2.126 30 10 JEEE C[C@H](CC#N)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN1CCOC(C)(C)C1 1509949328 HFXKZJUBQAGBIL-QGZVFWFLSA-N 460.604 2.198 30 10 JEEE CO[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCCS2(=O)=O)C1 1518590449 CHLLMGDDQGCARB-VQTJNVASSA-N 459.572 2.311 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc(OC)c(OC)c1Cl 1538975071 XHJATFRZQXCTQW-ZIAGYGMSSA-N 469.995 2.260 30 10 JEEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1539526366 NUYUWANRWQBVQB-HTAPYJJXSA-N 475.640 2.410 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1539615201 HBOXTTJNNVEAAL-UMGGQSCQSA-N 458.607 2.140 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1539635092 FNBTWGRFXFOKSN-RXVVDRJESA-N 463.579 2.071 30 10 JEEE C=C(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1539693545 OLSRJJHLSVXETK-UHFFFAOYSA-N 463.542 2.359 30 10 JEEE C=CCN(CCOC)c1nnc(-c2cnccn2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1540196019 MMJGDLKVBCTJPY-GOSISDBHSA-N 450.547 2.042 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1540865576 LFQQSFWJEGHGFM-NVXWUHKLSA-N 473.375 2.033 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N(CC)Cc1nc(O)c2ccccc2n1 1540902835 RTNCHXGDOKQMSQ-INIZCTEOSA-N 472.571 2.058 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NS(=O)(=O)c2cc3c(cc2Cl)CCC(=O)N3)C1 1561453203 BWHBPQZJPSEHCN-SWLSCSKDSA-N 454.936 2.262 30 10 JEEE CCOC(=O)C(=NNc1ccc([N+](=O)[O-])cc1)C(=O)c1nn2c(nc(=O)c3ccccc32)s1 1565517927 KBAQMIYTOZVRBC-UHFFFAOYSA-N 466.435 2.426 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CCCOC(F)(F)F)c1 1587692895 LYEXDOPHCXRQDO-MRXNPFEDSA-N 464.448 2.212 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CC1(COC)CCOCC1)[C@H]1CCS(=O)(=O)C1 1588059422 NYEYRCGMROYBDV-NRFANRHFSA-N 490.601 2.078 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(Br)cn2C)n1CCN1CCOC[C@@H]1C 1588189196 FIZMCEYNHSGQQT-KRWDZBQOSA-N 459.392 2.230 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccccn2)n1CC1(C(N)=O)CCOCC1 1588550633 WQLGFXHZAKNNMS-UHFFFAOYSA-N 462.529 2.325 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H]2CCCOC2)CC1 1588898787 CCEJMFJHRUJOHX-GOSISDBHSA-N 467.570 2.355 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc(CN2CCCC2=O)n1CC1CCS(=O)(=O)CC1 1595239083 FDSIMLMUYBPZMX-UHFFFAOYSA-N 471.627 2.460 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1595496984 MZCBBGHXDONZPV-IRXDYDNUSA-N 472.590 2.192 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1595805781 UPTFRYHFMJDXHN-MRXNPFEDSA-N 476.553 2.475 30 10 JEEE CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)N[C@H]3Cc4ccc(C#N)cc4C3)CC2)c1 1595971911 CGOVTIZQOKOPTC-QFIPXVFZSA-N 451.548 2.445 30 10 JEEE Cn1ccc(CCn2c(COc3ccc(Br)cc3)nnc2N2CCO[C@@H](C#N)C2)n1 1618424240 HOPABLRTHCQKJH-SFHVURJKSA-N 472.347 2.325 30 10 JEEE COCc1nc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@H](CC(N)=O)C2)cs1 1619675269 ICZCASJNLOPUQN-QGZVFWFLSA-N 481.582 2.472 30 10 JEEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc3ccccc3n2Cc2ccccc2F)CC1 1650846077 IYZPYEZNWFEZAQ-UHFFFAOYSA-N 454.527 2.054 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1689848029 NFNRXGIOVGEYOI-IAGOWNOFSA-N 454.556 2.340 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@]1(N(C)C)CCSC1 1689848184 QCNCTOXPGXBTJG-QMHKHESXSA-N 451.600 2.087 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCCO3)n2CC2CCS(=O)(=O)CC2)c1 1689872405 XVEUYFOIRBOWJZ-OAQYLSRUSA-N 485.610 2.401 30 10 JEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@H](C)c1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 1689978481 WJDMDNVXXDLLTQ-PZJWPPBQSA-N 469.611 2.253 30 10 JEEE C#CCSCCn1c(COc2cccc(C)c2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1690183315 TVZRKWUWWRHAMO-OAQYLSRUSA-N 469.611 2.360 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)Nc1cccc(C)c1C 1690313535 WNEVXPMXCWEIOJ-IBGZPJMESA-N 475.615 2.465 30 10 JEEE C=C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1690367102 BFKIBOMIZLBGCZ-UHFFFAOYSA-N 462.572 2.058 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(Cn2cncn2)CC1 1690678322 SGBROLPLSLJMCY-UYAOXDASSA-N 456.595 2.007 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1690684818 PFBGNELYYSVUTF-AZUAARDMSA-N 473.599 2.363 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1690692123 RQOUNKPQQXMFGX-HVSLCEISSA-N 459.510 2.124 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCc2[nH]c3ccccc3c2CC1 1690714620 QACRSQICJRXNHL-UHFFFAOYSA-N 470.599 2.104 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN2CCCC[C@@H]2C1 1690717606 KTPSLSLUYMOJAU-LJQANCHMSA-N 475.615 2.238 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1690729125 HERURDVTQBSSCY-IXFSTUDKSA-N 494.589 2.370 30 10 JEEE CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@](C)(O)c2ccco2)CC1 1694223916 DFQGXIMRFIGIAN-BCHFMIIMSA-N 491.596 2.354 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CCSC1)[C@H]1CCS(=O)(=O)C1 1705559759 BAXADVMTBQVPIZ-HOCLYGCPSA-N 498.472 2.426 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCCCOC)[C@H]1CCS(=O)(=O)C1 1705561258 ONKSNQXPGWHTGT-HNNXBMFYSA-N 470.393 2.089 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccc(OC(C)(C)C)nc1)[C@H]1CCS(=O)(=O)C1 1705564647 DLQQUFSLJSLJNU-OALUTQOASA-N 473.599 2.029 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1Cc1ccc(OC)nc1)[C@H]1CCS(=O)(=O)C1 1705568250 JRTHNNPYNDHFFW-SFHVURJKSA-N 485.541 2.075 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN(C)[C@H]1c1cccs1 1705628891 RQLGDUNTHHVRSN-SFHLNBCPSA-N 491.683 2.411 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCN2CCCO[C@@H](C)C2)CC1 1705644019 XBKCBAFKDNOTIE-YTFSRNRJSA-N 472.678 2.453 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCCCn2ccnc2C)CC1 1705647693 IFBAMISZSUSKLL-NRFANRHFSA-N 453.591 2.123 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2Cc2ccc(C(N)=O)cc2)CC1 1705649525 ADYKGBHEHMNCSC-UHFFFAOYSA-N 462.579 2.043 30 10 JEEE C=C(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1705723512 YWRSVPQRODBZAO-QGZVFWFLSA-N 454.575 2.328 30 10 JEEE C=C(C)COCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@]2(CCOC2)C1 1705737065 JGEYZLAYRWWCLI-DVECYGJZSA-N 493.605 2.175 30 10 JEEE C=C(C)COCCn1c(N2CC(=O)N(C)[C@H](C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705740582 PWIRYXQKEDPNMR-KURKYZTESA-N 462.595 2.308 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Br)cc2)nnc1N1CCOC[C@@H]1C 1705906844 QNMZUJYFCOXYPU-AWEZNQCLSA-N 450.337 2.147 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)ccc2C)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1705938096 MPJXGXSGIDVJRA-RDPSFJRHSA-N 490.626 2.459 30 10 JEEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1705948176 JVRNKEBDLRTWHB-UHFFFAOYSA-N 472.590 2.421 30 10 JEEE CC(=O)N1CCN(CCn2c(-c3cccc(C#N)c3)nnc2N2C[C@H](C)S[C@H](C)C2)CC1 1706002638 HPBWYTJCNCNBKT-HDICACEKSA-N 453.616 2.311 30 10 JEEE CC(C)CCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1C[C@]1(N2CCOCC2)CCSC1 1706462510 FPRHTHBIYJLKMD-XMMPIXPASA-N 489.690 2.488 30 10 JEEE CCN(CC)CCCn1c(Cc2cccnc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1710062816 AHXRXJURQADTFQ-FQEVSTJZSA-N 474.617 2.373 30 10 JEEE CNC(=O)[C@@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1CCc1nnc2n1CCCCC2 1711312573 GGPVCFNBSWFAFV-SFHVURJKSA-N 491.600 2.108 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc(Cl)nc3)n2CC(=O)N(C)C)c1 1722305812 VEXFXHUPBJCVIT-UHFFFAOYSA-N 451.918 2.138 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@H](C)N1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1722364637 ISUFOLWRTIMIMR-RXVVDRJESA-N 490.699 2.381 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1cc(F)ccc1OC)[C@@H]1CCS(=O)(=O)C1 1722365667 NISSNKXKHWKPOQ-HXUWFJFHSA-N 469.542 2.087 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1722371149 UHXWGNFJYSMNMT-QZTJIDSGSA-N 462.547 2.192 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2Cc2ccc(N(C)C)nc2)CC1 1722433108 LPFBYXZUFZIWLX-UHFFFAOYSA-N 483.418 2.311 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCCN2CCCC[C@H]2C)CC1 1722443158 DHUJLYYMQJLEKZ-QFQXNSOFSA-N 486.661 2.161 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@@](C)(O)c2ccccc2)CC1 1722449275 PBCJDZAIWFGFCC-AREMUKBSSA-N 458.566 2.137 30 10 JEEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccs2)CC1 1722483822 DCKDVGDPXFBUCY-AWEZNQCLSA-N 472.434 2.477 30 10 JEEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1722536483 XAENVOZROOELQT-GOSISDBHSA-N 472.615 2.454 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CC1(S(C)(=O)=O)CCC1 1722654920 YWXFFGFDNXDUOK-IBGZPJMESA-N 473.599 2.398 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(Cc2cc(C)no2)CC1 1722688890 NWZBLOHZUWFXQK-GOSISDBHSA-N 483.548 2.478 30 10 JEEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@@H](C(F)(F)F)C1 1722697669 OQTGBTAUCPEHSO-CQSZACIVSA-N 485.536 2.319 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccccc3F)n2CCC(=O)N2CCOCC2)C1 1722721607 HNILHSQUSITATM-GOSISDBHSA-N 459.522 2.026 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 1722727338 KOPAMBHBTODHQH-GOSISDBHSA-N 487.561 2.414 30 10 JEEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C(C)(C)C)C1 1722738808 PVWBBOCECWLWHI-DLBZAZTESA-N 457.666 2.403 30 10 JEEE CCCN1CCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(NC(=O)COC)CC1 1728157370 FRQXBJWZCQOUBN-QFIPXVFZSA-N 465.602 2.423 30 10 JEEE CN(C[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(C)(C)O)C1)S(C)(=O)=O 1729468319 DGYHJXSBOKHGAX-GOSISDBHSA-N 460.604 2.086 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2CCN2CCOC[C@@H]2C)c1 1740562452 NICIAQJCPGOMSA-IBGZPJMESA-N 459.554 2.117 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2CCCO2)c1 1740564887 AVUZJVAWSPOVAU-VCOUNFBDSA-N 453.543 2.237 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H](OC)C(C)C)[C@H]1CCS(=O)(=O)C1 1740621633 XXFJXXKKLKKQPQ-GHTZIAJQSA-N 476.599 2.260 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@]1(N(C)C)CCSC1)[C@@H]1CCS(=O)(=O)C1 1740624783 KBYQDVWGMUZZGP-NFBKMPQASA-N 491.658 2.072 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCSC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1740626148 JTYULLGTYUNCIB-UONOGXRCSA-N 452.524 2.399 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1C[C@H](F)CN1Cc1cccs1 1740672150 XWHRXHAXGCALRM-BZSNNMDCSA-N 465.620 2.314 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1nc(C)cs1 1740680973 UQQZMGUPHVJNNX-UHFFFAOYSA-N 474.612 2.095 30 10 JEEE C=C(C)COCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCC[C@H](C(N)=O)C1 1740793666 VVEZHWZIJWZLOQ-SFHVURJKSA-N 479.585 2.359 30 10 JEEE C=C(C)COCCn1c(N2CCN(c3nccnc3C)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1740798937 DKWJZDSEOUIBQX-XMMPIXPASA-N 471.606 2.336 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCCO[C@@H](c2ccccc2)C1 1740950989 OSACNIBYYHFOKJ-HXUWFJFHSA-N 454.575 2.467 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H]1c1ccc(OC)cc1 1740986066 RGKWZLBNJRJXHB-LJQANCHMSA-N 461.588 2.367 30 10 JEEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1CC(F)(F)C1 1741002446 IFLOMHVKDUCKTP-OAHLLOKOSA-N 465.592 2.012 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCN(C(C)C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1748816370 ZMNIDJUUDSHVOL-UXHICEINSA-N 451.637 2.265 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H](C)CN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1748818392 BEJBOWOSJZNRRB-UNMCSNQZSA-N 470.643 2.013 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CCc1sc(C)nc1C)[C@H]1CCS(=O)(=O)C1 1748819076 KEIBUDRLNXAHRL-IBGZPJMESA-N 470.624 2.207 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1CCc1nnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1748819977 WBATVLJYDBOGQV-QGZVFWFLSA-N 474.587 2.037 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCc2ccc(Cl)c(OC)c2)CC1 1749001137 JVOVBUZDVLYIGE-UHFFFAOYSA-N 487.004 2.287 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2CCNC(=O)OC(C)(C)C)CC1 1749017278 ZVCPXACPPBRQCC-UHFFFAOYSA-N 484.576 2.499 30 10 JEEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2c(F)cc(F)cc2C1 1749213893 RKYFIPDGTBEXGQ-CQSZACIVSA-N 455.531 2.322 30 10 JEEE C=C(C)COCCn1c(Cn2ccc3ccccc32)nnc1N1CCN(C(=O)COC)CC1 1749235545 TZDFIYIQSLUCPY-UHFFFAOYSA-N 452.559 2.169 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2ccccc2)CC1 1749354635 VQFUCHRHJJIHGW-GOSISDBHSA-N 474.631 2.453 30 10 JEEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2c(CC)nn(C)c2Cl)CC1 1749429143 GTULAINOHSSGHE-GOSISDBHSA-N 461.014 2.467 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@@H]1C[C@@H](OCC)C1(C)C 1749656071 ZIOMMFOIWPJSBE-RTBURBONSA-N 475.615 2.291 30 10 JEEE C=CCNC(=O)Cn1c(N2CCN(c3cccc(F)c3F)CC2)nnc1[C@]1(OC(C)C)CCOC1 1749682535 UWWQNVTUKIYSPH-DEOSSOPVSA-N 490.555 2.226 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1749723608 AFYXJVRHKXHNLD-FQEVSTJZSA-N 459.616 2.461 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC(O)(c2c(F)cccc2F)CC1 1749735217 PRHHKSFUCWTAHQ-INIZCTEOSA-N 482.553 2.149 30 10 JEEE N#C[C@@H]1CN(c2nnc(-c3ccc(Br)s3)n2CCC2(O)CCOCC2)CCO1 1750386113 HISNWGSINAAXGS-CYBMUJFWSA-N 468.377 2.429 30 10 JEEE CC(C)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCC(=O)N(C)C)[C@H](C)C1=O 1750846112 CXVCNNIBQGTYLL-LJQANCHMSA-N 481.601 2.290 30 10 JEEE CC1(C)CC(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@](C)(C#N)C2)C1 1751285850 BMYBIWWCAMUPJK-DYESRHJHSA-N 450.609 2.177 30 10 JEEE Cc1nn(C)c(N2CCN(c3nnc(C(C)(C)C)n3CC(=O)N(C)Cc3ccccc3)CC2)c1C#N 1751827244 FTFZQJDSJDYYOL-UHFFFAOYSA-N 489.628 2.474 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@H](C)c1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1760182836 MXQULVOLNQWCMD-KXBFYZLASA-N 490.630 2.232 30 10 JEEE C#CCN(c1nnc(CCOc2ccccc2)n1Cc1ccc(C)nc1)[C@@H]1CCS(=O)(=O)C1 1760191571 JQWYWTMOOALSEU-OAQYLSRUSA-N 465.579 2.278 30 10 JEEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1760223503 GMXBVPOIQWBLDL-FGZHOGPDSA-N 451.619 2.490 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1nccn1C(F)F 1760248534 BFYGDHPVZSQSTI-MRXNPFEDSA-N 495.531 2.312 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2cccs2)CC1 1760316302 PMTJLECLQMZLFZ-GGPKGHCWSA-N 494.687 2.253 30 10 JEEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1760359679 TZWFCPNOMTZMIF-UHFFFAOYSA-N 468.649 2.087 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](c2cccc(F)c2)N(C)C)CC1 1760389523 MJEGLLPRJOPHNC-RTWAWAEBSA-N 492.621 2.209 30 10 JEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(N2CCCCC2)CC1 1760428549 YLORLLZQTQGSBY-NRFANRHFSA-N 480.679 2.422 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCOC[C@@H]1C)C(C)C 1760489049 BFWXCBNHEHVJAS-XUVXKRRUSA-N 451.637 2.104 30 10 JEEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1cccn(CC)c1=O 1760503504 KMYXVJKIJMUHDE-UHFFFAOYSA-N 475.553 2.061 30 10 JEEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CCO)Cc1cc(Br)ccc1F 1760510434 XSIOJVGNPVVFOM-ZDUSSCGKSA-N 473.368 2.267 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(CC)CC)n2CC2CCN(C(=O)OC)CC2)C1 1760534996 JUSOJXWULAFQGH-LJQANCHMSA-N 462.595 2.456 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC(c2ccccc2CO)CC1 1760554314 ZJKWJGIEDYTLPN-UHFFFAOYSA-N 468.583 2.212 30 10 JEEE Cc1cc(C)cc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CC(C)(C)N2CCOCC2)c1 1761670429 ARDWVIGCKYFOOE-NRFANRHFSA-N 454.575 2.314 30 10 JEEE CCCNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCS(=O)(=O)C2)C1 1766183592 DYZJGPGQTKPCOS-FPOVZHCZSA-N 484.626 2.384 30 10 JEEE COCCN(CCC#N)c1nnc(-c2ccc3c(c2)OCO3)n1CCN1CCN(C)C(C)(C)C1 1769841779 ICVLEWSLPIIMSC-UHFFFAOYSA-N 469.590 2.066 30 10 JEEE COCCN1C[C@H](Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N2CCO[C@H](C#N)C2)CC1=O 1769883430 AINUXBJZEBNBGB-DENIHFKCSA-N 496.612 2.378 30 10 JEEE N#Cc1cccc(C(=O)Nc2ccc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)cn2)c1 1858280607 GEPQSFIQTQGNKG-UHFFFAOYSA-N 491.529 2.479 30 10 JEEE C=CCOC(=O)c1cccc(NC(=O)CCC(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)n1 1858764599 LYROHRLLMVPGJJ-UHFFFAOYSA-N 469.450 2.355 30 10 JEEE O=C(C1=C(O)C(=O)N(CCN2CCOCC2)[C@H]1c1cccc([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1 1862754001 AYXUSKNTCKGUCW-FQEVSTJZSA-N 482.449 2.414 30 10 JEEE CC(=O)NCCCN1C(=O)c2cccc(OCC(=O)Nc3sc4c(c3C#N)CCC4)c2C1=O 1865819192 HFVNJZYEEIZMPO-UHFFFAOYSA-N 466.519 2.248 30 10 JEEE O=C(NCCCCCO)[C@H](CSCc1ccccc1)N=C1NS(=O)(=O)c2ccccc21 1869932287 ZEWPNJZADLVIAB-IBGZPJMESA-N 461.609 2.306 30 10 JEEE N#Cc1nnn(-c2ccc(Cl)cc2)c1NC(=O)c1ccc(N2C[C@H](C(=O)O)CC2=O)cc1 1870150473 CVOQCKWHPINDPV-CYBMUJFWSA-N 450.842 2.482 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)COc2nonc2CC(=O)Nc2ccc3c[nH]nc3c2)nc1C 1872665334 VIEJPDQEFQZJOZ-UHFFFAOYSA-N 497.493 2.252 30 10 JEEE CC(=O)Nc1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)N2CCN(c3cccc(C#N)c3)CC2)cc1 1892344548 OTNHCXVXZZZMCB-XMMPIXPASA-N 495.605 2.409 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CCS(C)(=O)=O)C(=O)N1CCC(B2OC(C)(C)C(C)(C)O2)CC1 1962870067 ZLOXYBUOXWLQRK-MRXNPFEDSA-N 474.429 2.399 30 10 JEEE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@@H](CNS(=O)(=O)c2cccnc2C#N)C1 2140605942 FATWHJWSXNUYTK-IBGZPJMESA-N 471.583 2.353 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@@]1(CO)C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2185167160 CUSRKIRXPXOEGL-XMMPIXPASA-N 460.380 2.364 30 10 JEEE CC(C)(C)OC(=O)N[C@H](C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)C1(O)CCC1 2188010453 PQSSBQNMBDLDDW-GOSISDBHSA-N 460.380 2.410 30 10 JEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](C(=O)Nc2cc(Br)ccc2C#N)C1 2197773452 PFNKTNIJNQYGCT-CQSZACIVSA-N 458.334 2.293 30 10 JEEE C=C(CN(C)C(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C(F)(F)F)B1OC(C)(C)C(C)(C)O1 2256677548 FQCGYEHESBLIBW-CHWSQXEVSA-N 452.279 2.449 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](CO)[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2267527389 GQQSKNSSRWVKCC-HOCLYGCPSA-N 466.409 2.395 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1COCCN1Cc1ccccc1 2267529024 INXCSQHQMQDKNS-GOSISDBHSA-N 457.405 2.382 30 10 JEEE Cc1csc(CNC(=O)[C@H](CN(C)C)NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2268653296 LRZDSDHRKBCUPJ-HNNXBMFYSA-N 467.441 2.427 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](NC(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)C(C)(C)[C@@H]21 2281979126 LPQVUBKEHDYTEB-KBRIMQKVSA-N 460.384 2.473 30 10 JEEE CCc1nc(C(=O)NC[C@]2(NC(=O)OC(C)(C)C)CCOC2)c(B2OC(C)(C)C(C)(C)O2)s1 2282030804 KTVDSOUXNKNRNO-JOCHJYFZSA-N 481.424 2.418 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C 2282043054 LCSRKZLSWQEYOH-CVEARBPZSA-N 460.384 2.333 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H](O)C[C@@H](NC(=O)OC(C)(C)C)C2)c1 2282114466 DIVNUWDETXZKFQ-SJORKVTESA-N 460.380 2.394 30 10 JEEE Cc1nc(C(=O)N(C)C[C@@]2(O)CCN(Cc3ccccc3)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2282134897 WSQGSQRWKWBRQP-DEOSSOPVSA-N 471.432 2.460 30 10 JEEE C[C@@H]1CC[C@@H](NC(=O)C(F)(F)F)CN1S(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2282345504 PMBYGCPSZOZRDJ-UKRRQHHQSA-N 476.326 2.206 30 10 JEEE C[C@H]1C[C@@H](CNS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CN1C(=O)OC(C)(C)C 2282354139 MVDOJQJEWKXXAI-HOTGVXAUSA-N 481.424 2.305 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1COCCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)c(F)c2)C1 2282464306 LLFQVQOCZDPXKY-MRXNPFEDSA-N 464.343 2.491 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]1C[C@H]2NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282493077 RNFQCLUSSMMPIT-FMKPAKJESA-N 499.464 2.260 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CC12CCN(C(=O)OC(C)(C)C)CC2 2282540510 KUNNRWNLYDNQKK-MRXNPFEDSA-N 460.384 2.239 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)n1 2282552388 QAUMTBSZQTWGBE-RUZDIDTESA-N 451.376 2.056 30 10 JEEE Cn1cc(C(=O)N[C@H]2C[C@H]3[C@H](C2)C[C@H]3NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2282575471 CWXVKONFZVAYES-PNBKFKSVSA-N 460.384 2.141 30 10 JEEE Cc1cc(C(=O)N2CCC[C@](O)(CNC(=O)OC(C)(C)C)C2)oc1B1OC(C)(C)C(C)(C)O1 2282584217 BWKBLGXDWQAZIU-QHCPKHFHSA-N 464.368 2.379 30 10 JEEE CO[C@H]1CN(C(=O)c2ncc(C)cc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1NC(=O)OC(C)(C)C 2282643703 DUWPRKDWYNJXRU-IRXDYDNUSA-N 461.368 2.053 30 10 JEEE CC(C)(C)OC(=O)N1CC(CCO)(CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2282669506 UXANEQHCMOXRIW-UHFFFAOYSA-N 460.380 2.335 30 10 JEEE CN(CC1CCN(C(=O)OC(C)(C)C)CC1)C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2283064406 ZJMJWKSPCXVTEJ-UHFFFAOYSA-N 460.384 2.495 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2COC[C@@]2(C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)C1 2283915424 DMKDIYAVMSGREN-CMJOXMDJSA-N 459.352 2.203 30 10 JEEE COC[C@H](ONC(=O)OC(C)(C)C)C(=O)N1Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C1 2283947398 ZQFQWWMFNIQNHO-SFHVURJKSA-N 462.352 2.299 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@@]2(C(=O)Nc3ccnc(B4OC(C)(C)C(C)(C)O4)c3)CO[C@H]1C2 2284062951 JSHYPGCTNVGLSY-KXNSMUHISA-N 459.352 2.392 30 10 JEEE COC(=O)CSc1nnc([C@H]2CC(=O)N(Cc3ccccc3)C2)n1N=Cc1cccn1C 2325921247 ARECMZDVJBOJOT-KRWDZBQOSA-N 452.540 2.280 30 10 JEEE COC(=O)c1ccc(CSc2nnc(CNC(C)=O)n2N=Cc2cc(OC)ccc2OC)o1 2330752749 FVRFTCOOXJMGCI-UHFFFAOYSA-N 473.511 2.486 30 10 JEEE CCCCCCCCCCCCCC=C[C@@H](O)[C@@H](CO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)N(C)C 2333278376 SJWBHOQBARABKH-MHBFLCIISA-N 489.694 2.351 30 10 JEEE CO[C@@H]1C[C@H](CNC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)N(C(=O)OC(C)(C)C)C1 2337394180 JAAWHHIOVJFQMD-ZIAGYGMSSA-N 467.397 2.197 30 10 JEEE CC(C)(C)OC(=O)NC[C@H](O)CC(=O)Nc1cc(F)c(B2OC(C)(C)C(C)(C)O2)c(F)c1 2341178672 QZMXMYWFUDCPPP-CYBMUJFWSA-N 456.295 2.478 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2C[C@H](NC(=O)c3nccnc3B3OC(C)(C)C(C)(C)O3)C[C@@H]21 2359310048 LFJKQTYBCWCDJH-VGWMRTNUSA-N 458.368 2.197 30 10 JEEE Cc1nc(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)n1C 2362338191 CJADJTTVCBJKQE-LSDHHAIUSA-N 466.363 2.105 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2[C@@H](C)CCN2C(=O)OC(C)(C)C)n1C 2362483765 UEALQKLRNPFDQG-HOCLYGCPSA-N 462.400 2.403 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@]23C[C@@H]2CN(C(=O)OC(C)(C)C)C3)n1C 2362492347 BDJXHUMBSQPOQB-CMJOXMDJSA-N 460.384 2.015 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)CS(=O)(=O)CC(=O)Nc3ccc(OCC)cc3)cc21 19978086 BTCGTQQXLQAWRX-UHFFFAOYSA-N 472.519 2.233 30 10 JEEE C=CCn1c(=O)c2sc(N3CCCCC3)nc2n(CC(=O)Nc2cc(OC)cc(OC)c2)c1=O 21655607 CZJNSWITEKVGQQ-UHFFFAOYSA-N 485.566 2.452 30 10 JEEE CC(=O)OC[C@@H](OC(C)=O)[C@H](OC(C)=O)C1=NN(c2ccccc2)C(=O)/C1=N/Nc1ccccc1 101570598 ZTIAHQDUMNWAFM-OAFKBNOISA-N 480.477 2.284 30 10 JEEE COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2cc(OC)ccc2OC)cc1 102502867 GLVZAEUAAWXBJW-FEYWKWKCSA-N 482.533 2.466 30 10 JEEE CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CCOCCO)[C@@H]2c2ccc(C(=O)OC)cc2)cc1 102598231 LSCPMHWBSIKVMS-SADKCHQCSA-N 469.490 2.303 30 10 JEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc([C@H]3C[C@@H]3C)o2)c(=O)n1-c1ccccc1C#N 604001492 HJGQHEXLJYEGPN-YJBOKZPZSA-N 456.527 2.292 30 10 JEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1-c1cc(OCC)ccc1OCC 727417699 POOSLNGWNFKGIW-UHFFFAOYSA-N 465.531 2.095 30 10 JEEE CCOCCCn1c(=C(C#N)C(=O)c2ccccc2)sc(=Cc2cnn3ccccc23)c1=O 729671778 XQFNYZQPJVPESZ-UHFFFAOYSA-N 458.543 2.370 30 10 JEEE CC1CCC(C#N)(N(C)C(=O)[C@H](C)OC(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)CC1 912770624 DBNBMNLFDXYOEY-ZWTYVWJISA-N 466.538 2.242 30 10 JEEE C=C[C@H](Sc1nc2ccccc2c(=O)n1CCc1ccc(S(N)(=O)=O)cc1)C(=O)OC 1188128648 IOARCUMRBUULJI-SFHVURJKSA-N 459.549 2.106 30 10 JEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)CCN1CCOC(C)(C)C1 1286339988 RQLNHVYMYXSSCC-UHFFFAOYSA-N 488.658 2.156 30 10 JEEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CCOCC)CC1 1286351103 ANGBUZDCOULYRD-FQEVSTJZSA-N 476.622 2.158 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CC1(C)CC1)[C@H]1CCS(=O)(=O)C1 1286380640 CFWPYTZIQRFZDZ-AWEZNQCLSA-N 452.378 2.463 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCCOC(F)F)[C@H]1CCS(=O)(=O)C1 1286384192 QCWPNDVNYGQYBD-INIZCTEOSA-N 454.499 2.210 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCOCCCC)[C@@H]1CCS(=O)(=O)C1 1286384842 UCLAOXFYVRAUOY-MRXNPFEDSA-N 484.420 2.479 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)COc2ccccc2OC)CC1 1286469933 OVRZHQIHJJWCOU-FQEVSTJZSA-N 489.580 2.404 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCN(C)Cc2ccccc2)CC1 1286470222 VJTBJVMRKCNGPF-UHFFFAOYSA-N 472.597 2.203 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3ccc4ccccc43)n2CC(C)(C)C(=O)NCC)CC1 1286492834 AONVUOQJKLACRY-UHFFFAOYSA-N 489.624 2.409 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)cc(OC)c2)n1CC1(C(N)=O)CCOCC1 1286516968 AWYQRDZPBBWBPU-HSZRJFAPSA-N 453.543 2.237 30 10 JEEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCO[C@H](c2noc(C)n2)C1 1286537069 WBNGWCJVPWHYFP-OCCSQVGLSA-N 457.329 2.180 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(CCN2CCCC[C@H]2C)CC1 1286779501 UKLIQCHKQLQMCL-HXUWFJFHSA-N 471.650 2.297 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)C1 1286810148 NXEIDFQHUMRHOD-FGTMMUONSA-N 483.635 2.217 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1286821474 MHKYZMMOCMEGQB-AOMKIAJQSA-N 482.553 2.132 30 10 JEEE CC(C)C[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCc2nn(C)c(=O)cc2C1)N(C)C 1287338452 HWFFKEUDHDRVTO-NRFANRHFSA-N 490.612 2.361 30 10 JEEE CC(C)NC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC2CC2)CC1 1288208354 ARCDSRKGKYRZGI-UHFFFAOYSA-N 451.575 2.175 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1300300044 VZMIIJGNULLXMJ-YLJYHZDGSA-N 453.572 2.013 30 10 JEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H](C(C)C)N1CCCC1 1300440541 ZSGVINPWOAQTBR-OAQYLSRUSA-N 458.632 2.385 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2Cc2snnc2C)CC1 1300718673 DRSPKVRAPPUZCB-UHFFFAOYSA-N 481.582 2.136 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1300868296 CWPGPKMLVGNGFR-QRFRQXIXSA-N 490.586 2.305 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCCN(CC)C(=O)C1 1301492965 SODDCBXXFGRKPJ-UHFFFAOYSA-N 491.390 2.077 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCSC(C)(C)C1 1301502858 QUIKNSWHLYTOQP-INIZCTEOSA-N 480.635 2.221 30 10 JEEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@H](C)[C@@H](OC)C2)cc1 1301518526 JGMAALSXRRDPEW-UWVAXJGDSA-N 463.604 2.363 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](C2CCCCC2)N(C)C)C1 1301556635 IPGLGELTQCMXFX-PWRODBHTSA-N 465.664 2.472 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2CCN(CC(F)(F)F)CC2)C1 1301558852 ZURCZBNPHWVDCX-ROUUACIJSA-N 491.580 2.236 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3ccccc3n2)nnc1N1CCC(C(=O)NC)CC1 1301578179 ZATPEXPSKWAXAW-UHFFFAOYSA-N 468.583 2.057 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCO[C@H](CC)C1 1301578410 AAULXEUGBLZQKA-HXUWFJFHSA-N 456.572 2.347 30 10 JEEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1301596298 KQVQBPPMIHJJSY-FQEVSTJZSA-N 461.680 2.038 30 10 JEEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCC[C@H]2C(=O)N(C)C)CCCO1 1305153433 CLEFHKIFGOIHFE-UGKGYDQZSA-N 465.602 2.375 30 10 JEEE CO[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1)C(C)C 1315213066 FAHFUSJGHNHDQS-GHTZIAJQSA-N 490.605 2.189 30 10 JEEE N#Cc1ccc(-c2nnc(N3CCO[C@H](C(F)(F)F)C3)n2CCCN2CCOC2=O)cc1 1316529166 BKRAGMGTOSDERW-INIZCTEOSA-N 450.421 2.427 30 10 JEEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2ncc(F)cn2)CC1 1358916114 AHUYVRTYCWGEAZ-UHFFFAOYSA-N 468.562 2.329 30 10 JEEE C#CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CC[C@H](S(C)(=O)=O)C1 1358926951 HWAAITHMWYEVDK-KRWDZBQOSA-N 468.583 2.273 30 10 JEEE C#CCN(c1nnc(-c2ccccc2F)n1CCCc1nc(C)no1)[C@@H]1CCS(=O)(=O)C1 1358959759 PFMDFKIAFBTVJI-MRXNPFEDSA-N 458.519 2.035 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC1C[C@H](C)O[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1358962756 WFQGHXSORPFCAZ-BJLQDIEVSA-N 457.600 2.479 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@@]1(O)CCS(=O)(=O)C1 1358973509 UJKJKWYAJJJWHS-QHCPKHFHSA-N 484.578 2.435 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC(=O)Nc1cccc(Cl)c1C 1358978937 YPJIJSYJJQJOEE-QGZVFWFLSA-N 473.986 2.244 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C)c2ccc(F)cc2)CC1 1359044296 BLMIXLGOZGVYPR-UZLBHIALSA-N 452.534 2.138 30 10 JEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2cc(Cl)ccc2C1 1359049406 OHLJOXZZBMLWPJ-CQSZACIVSA-N 454.021 2.471 30 10 JEEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCCN(C(=O)c2ccsc2)CC1 1359054973 OSDCAQHKEWYODS-UHFFFAOYSA-N 455.613 2.459 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1359096261 YTXVDFVBTYYPDH-GPQLQYNLSA-N 451.527 2.158 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)[C@H]1CCSC1 1359327390 ZNIAFRCSKPSFSR-KRWDZBQOSA-N 484.047 2.404 30 10 JEEE C#CCOc1ccccc1CNC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 1468847737 JMSBOZBYDLLAAO-UHFFFAOYSA-N 453.564 2.403 30 10 JEEE CC[C@H](C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC1CCS(=O)(=O)CC1 1495731988 AHEOKQWOFOQKQG-KRWDZBQOSA-N 457.604 2.210 30 10 JEEE CN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCCO1)C1CCN(S(C)(=O)=O)CC1 1503412178 HAGNUIPFOFPFHB-HXUWFJFHSA-N 458.588 2.246 30 10 JEEE COCCN(c1nnc(COc2ccc(C#N)cc2)n1CC(=O)N1CCOCC1)[C@H]1CC[C@H](C)C1 1504863345 DNYVGSCTCFVILO-FPOVZHCZSA-N 482.585 2.229 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(CN2CCCCC2)cc1 1507517715 RHNLZBMNJRMTIY-MOPGFXCFSA-N 458.632 2.380 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1Cc1ccco1)[C@H]1CCS(=O)(=O)C1 1507626278 FEZXZSVGTZBZFL-KRWDZBQOSA-N 456.524 2.230 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@H]1CCCCN1CC)[C@H]1CCS(=O)(=O)C1 1507627368 SKOATGZYZFHRFI-RTWAWAEBSA-N 471.627 2.455 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H](c1cccs1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1507629568 ODKVSZHSOSPCLL-MJGOQNOKSA-N 472.640 2.275 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@@H]1CCC=CO1)[C@@H]1CCS(=O)(=O)C1 1507640391 RHFRKYUIGGKTNJ-MSOLQXFVSA-N 460.531 2.316 30 10 JEEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1CC1(CN2CCOCC2)CCCCC1 1507642498 VXRMUMDFRAQTMO-AREMUKBSSA-N 469.630 2.286 30 10 JEEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1507755223 CLQNQEOGVUYSAS-LJQANCHMSA-N 464.599 2.028 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc(C(=O)NC)cc1 1507791456 MIUWFWKUEXTFEO-LEWJYISDSA-N 466.586 2.491 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N(C)Cc1cccc(C(N)=O)c1 1507805636 KNAPKQBKYRDXGL-DENIHFKCSA-N 452.559 2.117 30 10 JEEE C=C(Cl)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N(C)CCN1CCOCC1 1507856025 DCWZRDLCDHUVIL-UHFFFAOYSA-N 451.955 2.492 30 10 JEEE CC(C)NC(=O)c1nnc(N(C)[C@@H](C)CC#N)n1Cc1ccccc1CN1CCC[C@@H]1CO 1509577527 GEMHTAPXKJBNNP-GHTZIAJQSA-N 453.591 2.160 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2CCCN2CCC(O)CC2)c1 1539045911 JIPQJFWZVHXUFS-UHFFFAOYSA-N 487.608 2.167 30 10 JEEE C#CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1539117103 STLFOBMLCSMMIW-KRWDZBQOSA-N 484.582 2.037 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1COCCO1 1539324831 XWHJSSRZVCZFOF-WOJBJXKFSA-N 457.575 2.271 30 10 JEEE C#CCN(CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@H]1CCOC[C@H]1OC 1539377199 MRENHMIRVICMAM-LADGPHEKSA-N 466.630 2.154 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1OCCC1(C)C 1539385322 YEWWJJOFXXIPKX-VQIMIIECSA-N 463.579 2.482 30 10 JEEE C#CCN1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CCS(=O)(=O)NC(C)C)CC1 1539463180 WKLRRDWLEKGWDA-UHFFFAOYSA-N 497.090 2.307 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCOC[C@H]2C)CC1 1539470804 ZYRHEMSPDTZAOJ-YLJYHZDGSA-N 466.542 2.492 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCCCCOC)CC1 1539476683 CXEGGHQUKBJSJP-UHFFFAOYSA-N 477.569 2.376 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccc2OC)nnc1N1CCN(CCOC)C(=O)C1 1539626968 HPGVWIKBTJWMGQ-PGRDOPGGSA-N 455.559 2.230 30 10 JEEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C)C(=O)[C@@H]1C 1539803082 DKNJESNLDVPRAX-GJZGRUSLSA-N 454.959 2.006 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cccc(CN(C)CC)c2)C1 1540892485 MCGVLFITTTYZNZ-YADHBBJMSA-N 473.643 2.462 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCCN(c2nccs2)CC1 1540903721 GEZHEVORNFQDDC-UHFFFAOYSA-N 473.628 2.038 30 10 JEEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(N(C)C)CCCC2)C1 1547780023 HOIVEMYPYAQRKX-HXUWFJFHSA-N 471.631 2.209 30 10 JEEE COC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1554570599 CETKGUSPCQBTOH-UHFFFAOYSA-N 465.602 2.376 30 10 JEEE N#Cc1ccc(N2CCC(NS(=O)(=O)c3ccc(F)c(C(=O)N4CCCC4)c3)CC2)nc1 1561214397 CGSBNSPDENDKDR-UHFFFAOYSA-N 457.531 2.276 30 10 JEEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1587719297 YSRUCJIPKYCIAB-LJQANCHMSA-N 455.584 2.353 30 10 JEEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(C(=O)NCC)CC1 1587817791 HEFCWYONXANKDV-UHFFFAOYSA-N 456.547 2.236 30 10 JEEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1[C@@H]1C[C@H]1CCC)[C@@H]1CCS(=O)(=O)C1 1588035395 TXTFAGZTXVNQCC-YVWKXTFCSA-N 476.624 2.336 30 10 JEEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1CC1([S@@](C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1588069358 MFNGONQXWDNLKU-NMEJYPJZSA-N 497.042 2.048 30 10 JEEE C#CCN(c1nnc(COCC)n1C[C@H](C)Oc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1588074237 LHABQRZNISIHDW-WMZOPIPTSA-N 450.536 2.048 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1588099157 IIGFJSRDLNFSFO-PMACEKPBSA-N 483.638 2.309 30 10 JEEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CN(CC(C)C)CCO1 1588310169 SHBPKGXOKPRQJT-IBGZPJMESA-N 473.647 2.055 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCCN2CCCC2)cc1 1588386669 QWYFDJLFCCIVQZ-NRFANRHFSA-N 471.627 2.163 30 10 JEEE C#CCC1(O)CCN(C(=O)c2nnn([C@H]3CCN(C(=O)OC(C)(C)C)C3)c2C(F)F)CC1 1588765208 GCGCCLKMDSTAMZ-AWEZNQCLSA-N 453.490 2.388 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CCN(CCOC)C(=O)C1 1589506401 VTQMULOAPJQPME-DENIHFKCSA-N 455.559 2.230 30 10 JEEE C=C(Cl)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1593907833 BTPFMMWQZGYTOU-INIZCTEOSA-N 450.996 2.181 30 10 JEEE C=CCCOCCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1594798779 WONOBTGEDBTSLS-UHFFFAOYSA-N 477.587 2.127 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(OC)CCOC1 1595099982 LTNPZFWTDQXGBX-NFBKMPQASA-N 471.583 2.050 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC=CO1 1595260253 GZJHBALDRNTQDG-VQTJNVASSA-N 477.587 2.132 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1595784623 JUAQFTVIORTASA-QGZVFWFLSA-N 459.576 2.035 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 1595788473 AUEZVVCBUMESGJ-GOSISDBHSA-N 458.588 2.315 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC1(N(C)C)CCOCC1 1596840009 ASYYUWFYENHVEL-QHCPKHFHSA-N 494.688 2.349 30 10 JEEE C=CC[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 1655626462 PJTDNMYAXLSKGW-IBGZPJMESA-N 450.582 2.173 30 10 JEEE N#Cc1cnc2ccccc2c1N1CCN(S(=O)(=O)c2cc(Cl)cc(C(N)=O)c2)CC1 1666979852 GQGXFZAVSBDMLF-UHFFFAOYSA-N 455.927 2.370 30 10 JEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 1689892607 IZQYJMUJKOCEPK-QGZVFWFLSA-N 465.620 2.477 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@]1(N(C)C)CCSC1 1690101116 ORKOWWBHXCIPHI-RUZDIDTESA-N 495.653 2.198 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CC(C)(C)CN2CCCC2)CC1 1690148587 MBKRJMPIVHSQKA-UHFFFAOYSA-N 463.630 2.352 30 10 JEEE C=C1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCOCCCO)CC1 1690375814 VBPRAMBUQDSRLH-SFHVURJKSA-N 451.568 2.142 30 10 JEEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1690511282 WCQQLWAKQNLCBQ-UHFFFAOYSA-N 479.585 2.400 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1690667684 DIGARLWCOFBFDR-IAGOWNOFSA-N 457.579 2.325 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 1690669339 AYULYJXPOHSWFG-QFBILLFUSA-N 461.588 2.423 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@@H](C)[C@@H](F)C1 1690717596 KMIPXECUTZURRT-ZBFHGGJFSA-N 468.551 2.366 30 10 JEEE CS(=O)(=O)c1ccc(OCCn2c(Cc3ccccn3)nnc2N2CC[C@](F)(C#N)C2)cc1 1698299748 HGGZFGIXWWPHNY-QFIPXVFZSA-N 470.530 2.188 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C2CC2)N(C)C)c1 1705504327 SSBIXROWQYNNFD-OAQYLSRUSA-N 486.580 2.322 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2CC2(N(C)C)CCOCC2)c1 1705507195 UTBNWRVISYJMFR-UHFFFAOYSA-N 487.608 2.431 30 10 JEEE C#CCN(c1nnc([C@@H](C)OCCOC)n1CC12CCC(CC1)C2)[C@H]1CCS(=O)(=O)C1 1705561669 VSGIJVDLHVROIC-QJLFFNEXSA-N 450.605 2.209 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1CCc1ccc(F)cc1C)[C@H]1CCS(=O)(=O)C1 1705564807 CSKBXDWTSWSPCU-IBGZPJMESA-N 454.531 2.052 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@@H](OC)C(C)C)[C@H]1CCS(=O)(=O)C1 1705569613 FFUFHRZKOGSMKA-OXJNMPFZSA-N 466.554 2.445 30 10 JEEE C#CCN(c1nnc(CSc2ccc(C)cc2)n1CC1([S@](C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1705571785 IEQUVCGDRIUFRX-OKXSDPAFSA-N 492.692 2.417 30 10 JEEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccnc(OC2CCOCC2)c1 1705574875 QERPRQAHHTVQMI-AREMUKBSSA-N 479.581 2.393 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(Br)c2)n1CC(=O)N1CCOCC1 1705593222 KHNTVLYFPDMMJS-UHFFFAOYSA-N 486.370 2.038 30 10 JEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 1705601090 XVQRRYNBJQEAAV-UHFFFAOYSA-N 466.586 2.431 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccc(C)cc1)N1CCOCC1 1705613228 XMTKJIDWPUEESP-YADHBBJMSA-N 471.627 2.022 30 10 JEEE C#CCN(CCOC)c1nnc(-c2sc3ccccc3c2Cl)n1CCS(=O)(=O)NC 1705622452 IQGBFZMAEOJXFS-UHFFFAOYSA-N 468.004 2.448 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc3c(c2)[C@@H](C)[C@@H](C)O3)CC1 1705644510 SQJKSLUJTUKJHY-ZWKOTPCHSA-N 478.597 2.315 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC2(SC)CCC2)CC1 1705645377 RUWVFTPBHKQIGC-QHCPKHFHSA-N 461.632 2.182 30 10 JEEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1705660700 CWFNGVRNYKIBRT-INIZCTEOSA-N 483.610 2.279 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@H](C(=O)NC)C1 1705707848 SMBIPFPRPHOXHZ-SWBPCFCJSA-N 461.607 2.129 30 10 JEEE C=C(Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(=O)NC(C)C)CC1)c1ccccc1 1705744688 LNTIKYMSPJVMQG-UPVQGACJSA-N 482.629 2.362 30 10 JEEE C=C(Cl)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@H](n2cncn2)C1 1705749772 HWINVGNEDMLHMC-QGZVFWFLSA-N 476.994 2.381 30 10 JEEE C=C(Cl)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1705754764 FSDYTHDIJCQCQS-MAUKXSAKSA-N 467.979 2.309 30 10 JEEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nccc(OCC)n2)CC1 1705805640 LCEVFPPVOAPDBU-GOSISDBHSA-N 475.619 2.052 30 10 JEEE C=CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(C(=O)NCCCOC)CC1 1705890591 YKPLAOOBTGUFHJ-UHFFFAOYSA-N 468.606 2.007 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1705897427 MHIGKZCSWJZUMQ-DOTOQJQBSA-N 482.006 2.387 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Br)nnc1N1CC[C@@](C)(C(N)=O)C1 1705932372 CWTYCGWEDDIBKP-LJQANCHMSA-N 482.404 2.010 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(=O)NCC(F)F 1706074827 FQEXKLKGUMIENG-HUUCEWRRSA-N 469.537 2.370 30 10 JEEE CCN1CCN(CCCn2c(COc3ccc(C#N)cc3)nnc2N2CCCO[C@H](C)C2)CC1 1710301423 DBBPGFNIKODAAT-OAQYLSRUSA-N 467.618 2.372 30 10 JEEE CNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](c2ccco2)N(C)C)CC1 1711414619 CYMYPFPVQOLERJ-FQEVSTJZSA-N 478.557 2.086 30 10 JEEE COCCC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1712310098 DVUUPVTVLHBWAH-UHFFFAOYSA-N 465.602 2.280 30 10 JEEE COCCN1C[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@@H](C)C2)CC1=O 1712472726 FZAMNTVAIZRLSK-UYAOXDASSA-N 452.559 2.460 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCNc1nccc(C(F)(F)F)n1 1722285094 SUQXUVSGEMITCF-ZDUSSCGKSA-N 459.436 2.304 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccsc3)n2C[C@H]2CCS(=O)(=O)C2)c1 1722307593 QIFIQRPBOXDLGC-LJQANCHMSA-N 483.619 2.421 30 10 JEEE C#CCCCCn1c(N2CCN([C@H](C)c3nc(C)no3)CC2)nnc1[C@@]1(OCC)CCOC1 1722321772 BMLNASHNDBIZPM-WZONZLPQSA-N 457.579 2.308 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCCSCC(C)C)[C@@H]1CCS(=O)(=O)C1 1722360208 FEQXOFBCODJHRT-GOSISDBHSA-N 450.634 2.085 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Cl)n1CC1CCN(C(C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1722363395 SFKNELAXRZKORB-IBGZPJMESA-N 490.029 2.484 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1csc([C@H](C)OC)n1 1722374964 ILVIYCJDRNZZDT-KRWDZBQOSA-N 498.634 2.480 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2CCCn2cccn2)CC1 1722448662 FTBMUUQLKKISCY-UHFFFAOYSA-N 461.570 2.130 30 10 JEEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 1722686042 OXNHIYUTJUMTGY-LSDHHAIUSA-N 464.979 2.270 30 10 JEEE CC(C)[C@@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)C[C@H](C)C#N)N1CCOCC1 1722862126 GSSYLPCQPCDRSB-WIYYLYMNSA-N 474.631 2.301 30 10 JEEE CC(C)[C@H]1OCCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1723245851 BSTHWWAIMIHHCX-LEWJYISDSA-N 472.615 2.350 30 10 JEEE CC[C@H](C)[C@@](C)(O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@@](F)(C#N)C1 1726829687 GYYDAHCQNDMBGX-ONGXBYRLSA-N 463.583 2.477 30 10 JEEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CC(=O)N1CCN(c2ccccc2)CC1 1740557617 MMNAITRWXMODRX-IBGZPJMESA-N 491.621 2.076 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2C[C@]2(N(C)C)CCSC2)c1 1740562365 JDLMKMAUAYOLQM-XMMPIXPASA-N 478.626 2.172 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)Cc1ccccc1OC 1740589726 ASDSTMLROZCZIP-WIYYLYMNSA-N 475.615 2.100 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC1(CCOC)CCC1)[C@H]1CCS(=O)(=O)C1 1740628341 XFXVFOUNXOMBRI-OALUTQOASA-N 450.605 2.353 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2CCC(=O)N2CCCCC2)CC1 1740707743 OEJDESMBMZEXBV-UHFFFAOYSA-N 496.587 2.365 30 10 JEEE C#CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@@]2(CCOC2)C1 1740708861 DEEICQSIVGLENQ-QFIPXVFZSA-N 476.002 2.224 30 10 JEEE C#CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1740711326 LERWNSASKRQCIQ-UHFFFAOYSA-N 482.654 2.455 30 10 JEEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1740750926 VSRPFBLEEUWRTO-BZUAXINKSA-N 456.385 2.406 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1 1740763444 LIUKPRLGNDMXOR-GBXCKJPGSA-N 480.569 2.005 30 10 JEEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1740793913 NETFANZJVCQCBI-KRWDZBQOSA-N 452.481 2.361 30 10 JEEE C=CCCCn1c(N2CCC(N(C)S(C)(=O)=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1740881846 RUPGJWFPUSETMS-NRFANRHFSA-N 455.625 2.145 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccccc1)N1CCOCC1 1740932769 VNFPFPQVJIEZAC-FCHUYYIVSA-N 471.627 2.432 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1740953779 QOCRKIKERUAYFG-QGZVFWFLSA-N 465.558 2.067 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N(C)Cc1cnn(-c2ccccc2)n1 1740989587 RQYRPQSJGHIGAY-UHFFFAOYSA-N 464.555 2.158 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCCN(c2nccs2)CC1 1740990924 JUEAZPGERHAXNU-KRWDZBQOSA-N 466.633 2.294 30 10 JEEE Cc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCN2CCN(C)C(C)(C)C2)cc1C 1742283314 GUYQFKIFOKSWSL-QFIPXVFZSA-N 467.618 2.229 30 10 JEEE CCc1nc(CCn2c(-c3cccc(C#N)c3)nnc2N2CCN(CCOC)[C@@H](C)C2)no1 1744464053 FUTSTJVIAAFTQC-KRWDZBQOSA-N 450.547 2.162 30 10 JEEE CNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCc2nc(C)no2)CC1 1748201605 CVPXALOVQSBKQE-UHFFFAOYSA-N 464.530 2.015 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C(C)C)N1CCOCC1 1748670941 FBYUMELNABYBBM-ACRUOGEOSA-N 490.649 2.401 30 10 JEEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](F)c1ccc(Br)cc1 1748766033 CXIMEINQNFORDG-SWLSCSKDSA-N 458.357 2.431 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H](CCC)OC)[C@@H]1CCS(=O)(=O)C1 1748805097 OFJKJMIQXUIEFL-HZPDHXFCSA-N 484.420 2.478 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CC(F)(F)C1(OC)CCOCC1)[C@H]1CCS(=O)(=O)C1 1748808577 LJFQQMUWVINYSQ-KRWDZBQOSA-N 498.552 2.304 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCCCN1CC)[C@H]1CCS(=O)(=O)C1 1748809135 QNPUDASBMRQJDG-RTWAWAEBSA-N 486.598 2.354 30 10 JEEE C#CCN(c1nnc(-c2cc(F)ccc2Br)n1C[C@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1748810013 YXSYIFRKBWSBLD-HOCLYGCPSA-N 498.422 2.424 30 10 JEEE C#CCN(c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC(=C)C)[C@H]1CCS(=O)(=O)C1 1748814584 GUYIMGGHPFJDBU-SFHVURJKSA-N 480.594 2.439 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H](c1ccc(F)cc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1748824755 SPPZUCTUQALROD-PCCBWWKXSA-N 475.590 2.198 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2ccncc2)n1C[C@@H]1C[C@@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1748852554 GXITYBUZQZAZKM-BHIFYINESA-N 476.581 2.361 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CCC[C@H]1C 1748858663 RHCFXHDZGCTOJE-YDIMBITNSA-N 457.575 2.210 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC2CCS(=O)(=O)CC2)CC1 1748978690 RFKBWFODCHEEBA-GOSISDBHSA-N 475.590 2.137 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCn2cc(C)cn2)CC1 1748991028 OVPWTQLEURFADV-OAQYLSRUSA-N 482.633 2.353 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(Cl)cc2OC)CC1 1749010137 OBLUBSPNHGOYOT-GOSISDBHSA-N 457.962 2.458 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1749121077 KIEGQQPVVRNOFO-BDTNDASRSA-N 450.543 2.139 30 10 JEEE C=C(C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1749189989 YKLVXKRLIMHDES-LJQANCHMSA-N 487.649 2.369 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1749230038 SZKPTMUHYACSRQ-RTBURBONSA-N 489.621 2.199 30 10 JEEE C=CCCCn1c(COc2ccccc2F)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1749437665 LOGSIZMACAGNIG-MRXNPFEDSA-N 454.510 2.494 30 10 JEEE C=CCn1c(-c2cc(OC)ccc2Br)nnc1N1CCN(CC(=O)NCC)CC1 1749609450 PABGITMVBBLRFT-UHFFFAOYSA-N 463.380 2.160 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@H](C(=O)OC)C1 1749656061 ZCYULDIZODECDB-LBPRGKRZSA-N 466.311 2.148 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CC)CC(C)C 1749670530 UVYKEEJNHNJCLP-KRWDZBQOSA-N 450.584 2.371 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1ccc(C(N)=O)nc1 1760112824 MPRUUCVEALXQND-WMZOPIPTSA-N 467.574 2.393 30 10 JEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1760157527 SERKZPKWWOBCDQ-UHFFFAOYSA-N 493.593 2.225 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(C)c(Br)c2)n1CCCNS(C)(=O)=O 1760213947 XCJLSZIQJFPMIZ-UHFFFAOYSA-N 478.416 2.418 30 10 JEEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@H](c1ccccc1)N1CCOCC1 1760227633 JKMNGALMRUYBPF-RDGATRHJSA-N 453.587 2.463 30 10 JEEE C=C(Br)Cn1c(Cc2ccsc2)nnc1N1CCN(CC(=O)NCC)CC1 1760311033 IUOYQOGZOKANMN-UHFFFAOYSA-N 453.410 2.097 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(CCN2[C@@H](C)CC[C@@H]2C)CC1 1760313297 LXRGZNRSTIERGW-GPJHCHHRSA-N 487.693 2.392 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC)CC1 1760322719 WVDWBYNYLREKAT-AABGKKOBSA-N 467.636 2.219 30 10 JEEE C=C(C)COCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1760352161 QNWGMVYJAVXDSC-NRFANRHFSA-N 450.543 2.237 30 10 JEEE C=CCN(C)c1nnc(Cc2cn3ccccc3n2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1760466359 QUHHRCYYMZWFQG-FQEVSTJZSA-N 450.591 2.082 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCC(=O)N2)n1CCC1(O)CCOCC1 1760477726 IUAOPQCMNHAKNC-HXUWFJFHSA-N 455.559 2.362 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1760520418 MPFXGYJBUSBQKH-INIZCTEOSA-N 482.976 2.298 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 1760524692 GIPFNDHYORUKBV-SFHVURJKSA-N 469.521 2.395 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2nc(C(C)C)cs2)C1 1760535646 UWUCYSLZLCVXPJ-GJZGRUSLSA-N 454.622 2.298 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1760552254 IKSSVFYIOAZTSF-UHFFFAOYSA-N 478.594 2.315 30 10 JEEE CC(=O)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCCO[C@@H](C)C2)CC1 1760597060 ASKHNPDEVKTTIU-FQEVSTJZSA-N 465.602 2.376 30 10 JEEE CC(=O)NC1CCC(N(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)N2CCOCC2)CC1 1760633496 HAHNJUXKDGIXML-WDGBRCNXSA-N 465.602 2.421 30 10 JEEE CCOC1CC(O)(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(CC(=O)NC)CC2)C1 1766157961 IANBQHCCJQESMG-UHFFFAOYSA-N 482.585 2.011 30 10 JEEE CN(C)CCN1CCC(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC[C@](C)(C#N)C2)CC1 1768513793 BIICNAJMBNSGGM-RUZDIDTESA-N 479.633 2.329 30 10 JEEE CN(C)CCN1CCC(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC[C@@](C)(C#N)C2)CC1 1768513794 BIICNAJMBNSGGM-VWLOTQADSA-N 479.633 2.329 30 10 JEEE COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(-c2ccccc2)no1 1769844803 DKNQEFITBWTMEL-SFHVURJKSA-N 470.555 2.250 30 10 JEEE COc1cccc(Cc2c(C)nc(N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)nc2O)c1 1858579135 SXYYFDOQSNTIKH-UHFFFAOYSA-N 479.562 2.473 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCCN(CC)CC)cn1CCN(CC)CC 1870535777 KTTQSQPGWUTREZ-UHFFFAOYSA-N 475.678 2.201 30 10 JEEE COC(=O)CSc1nnc([C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)n1/N=C/c1ccc(O)cc1O 1874201196 UVDZHGVWTYSOGL-SWKNLOBNSA-N 497.533 2.366 30 10 JEEE CC(C)N1C(=O)CS[C@H](C(=O)NCCN=c2ccc(-n3cccc3)n[nH]2)[C@@H]1c1ccc(C#N)cc1 1891448797 NEGIITRCFYKQMT-ZEQRLZLVSA-N 489.605 2.183 30 10 JEEE COc1ccc([C@@H]2[C@@H](C(=O)N3CCN(c4ncccc4C#N)CC3)SCC(=O)N2C2CC2)cc1 1892138381 LAMFGTOLJSXMBF-PKTZIBPZSA-N 477.590 2.458 30 10 JEEE C=CCNC(=O)CS(=O)(=O)CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 2019099267 YALDFQHUCGSCHI-OAQYLSRUSA-N 486.546 2.085 30 10 JEEE CC(C)(C)OC(=O)NC/C=C\CNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2248289751 XLXRUWBANYVWOF-HJWRWDBZSA-N 458.411 2.407 30 10 JEEE Cc1csc(C(=O)N(C)C[C@H](O)CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2255638579 LEMLDQAGFGXDDN-CQSZACIVSA-N 454.398 2.313 30 10 JEEE Cn1nc(C(=O)NCC=CCNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2255823700 XTSYLPSWNVSBKV-UHFFFAOYSA-N 454.764 2.183 30 10 JEEE Cn1cc(C(=O)N2CCC(NC(=O)OCc3ccccc3)CC2)c(B2OC(C)(C)C(C)(C)O2)n1 2255826799 SDIUCEXRCJTLMW-UHFFFAOYSA-N 468.363 2.250 30 10 JEEE Cc1cc(C(=O)N(CCO)CCNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2255837919 XJRMUWZPRYRFDV-UHFFFAOYSA-N 454.398 2.315 30 10 JEEE CC(C)(C)OC(=O)N[C@@]1(C)CCC[C@@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2256673880 GYLKLRRAIUDYHX-ODXCJYRJSA-N 452.386 2.281 30 10 JEEE CC(C)(C)OC(=O)N[C@@](C)(CC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)C(F)F 2256676157 MWEXYGHOKYOQFL-SFHVURJKSA-N 462.328 2.136 30 10 JEEE CN1CCN(C(=O)OC(C)(C)C)[C@H](COc2nccc(B3OC(C)(C)C(C)(C)O3)c2F)C1 2265994147 BSYYPPYIXMKMML-HNNXBMFYSA-N 451.348 2.450 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H]1CNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2267463879 DFICDKZYEKDXAD-KBPBESRZSA-N 487.453 2.023 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1NS(=O)(=O)c1c(F)cc(F)cc1B1OC(C)(C)C(C)(C)O1 2267472685 UFWBFUHHOMGPEM-CABCVRRESA-N 474.335 2.208 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H]1NS(=O)(=O)c1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2267702518 HYDVJHQEMHBATH-CZUORRHYSA-N 470.372 2.316 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2F)[C@H](O)C1 2281761087 BHYGVUGTEKMKDL-QZTJIDSGSA-N 464.343 2.225 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2281767446 GTMVWNXEYKQIIY-QZTJIDSGSA-N 464.343 2.225 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1COCCN1C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2281781237 GYXFAKKRNDMGJK-MRXNPFEDSA-N 464.343 2.491 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@@H]1CNC(=O)c1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2281783661 NROXWTHUVDZZQG-INIZCTEOSA-N 464.343 2.491 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCN(C(=O)OC(C)(C)C)CC23CC3)n1 2281991821 GILITWWHKOHTRT-UHFFFAOYSA-N 460.384 2.428 30 10 JEEE 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)sn2)C1 2281995821 HXTDXTGWAICHHU-GXTWGEPZSA-N 481.380 2.025 30 10 JEEE COCC1(NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2Cl)CN(C(=O)OC(C)(C)C)C1 2282000283 MTBMIMFAAFJYFM-UHFFFAOYSA-N 481.786 2.400 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CCNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)C(F)(F)F 2282017649 MUGFOABYZHFATG-ZDUSSCGKSA-N 474.289 2.351 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C[C@@H]1CO 2282175056 JALCJFLJEHMFEA-MJGOQNOKSA-N 460.380 2.334 30 10 JEEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1CCCCCN1C(=O)OC(C)(C)C 2282177254 YRIBHVPWGVYTLZ-HNNXBMFYSA-N 463.388 2.024 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2CCO[C@@]2(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2282200163 NIPQAFNYJMERNG-CMJOXMDJSA-N 461.368 2.070 30 10 JEEE CCN([C@H]1CCN(C(=O)OC(C)(C)C)C1)S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282349537 ABAHEDRYLLNGOI-KRWDZBQOSA-N 481.424 2.401 30 10 JEEE CCn1cc(C(=O)NCC2=CCN(C(=O)OC(C)(C)C)CC2)nc1B1OC(C)(C)C(C)(C)O1 2282535459 OFZGDXWARNJSBF-UHFFFAOYSA-N 460.384 2.499 30 10 JEEE C[C@@H]1CN(C(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C[C@H]1CCNC(=O)OC(C)(C)C 2282551592 KRWMTINDUHXBFN-HZPDHXFCSA-N 462.400 2.342 30 10 JEEE Cn1cc(C(=O)Nc2ncccc2CNC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2282555173 OWURPQUZGKCJRU-UHFFFAOYSA-N 457.340 2.391 30 10 JEEE Cc1nn(C)c(C(=O)NC[C@H]2N(C(=O)OC(C)(C)C)CC2(C)C)c1B1OC(C)(C)C(C)(C)O1 2282558958 MKKDYRLWNNKPSS-OAHLLOKOSA-N 462.400 2.403 30 10 JEEE C[C@@H](NC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1)C1CCN(C(=O)OC(C)(C)C)CC1 2282579992 MWVNSBGESIHRGY-OAHLLOKOSA-N 462.400 2.485 30 10 JEEE Cn1nc(C(=O)N2C[C@@H](CNC(=O)OC(C)(C)C)C(C)(C)C2)cc1B1OC(C)(C)C(C)(C)O1 2282610702 AMKRSIJGIQKCHC-OAHLLOKOSA-N 462.400 2.342 30 10 JEEE CC(C)(C)OC(=O)NC[C@@]12CC[C@@H]1CN(C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)C2 2282700150 NXXXAMPDIMBKLQ-IQMFZBJNSA-N 458.368 2.153 30 10 JEEE CC1(C)OB(c2ccccc2S(=O)(=O)N2CCC[C@@H](CNC(=O)C(F)(F)F)C2)OC1(C)C 2282858712 BHPGLLDMIUANNT-AWEZNQCLSA-N 476.326 2.065 30 10 JEEE CC(C)(C)OC(=O)NC[C@H](CO)C(=O)N1CCCc2cc(B3OC(C)(C)C(C)(C)O3)ccc21 2284047359 HXZIQWVCDJAFJY-QGZVFWFLSA-N 460.380 2.398 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CC(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)=C[C@@H]1O 2284058120 IMWJNMSXKSTJIT-CVEARBPZSA-N 463.315 2.043 30 10 JEEE Cc1ncc(C(O)=C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(F)cc2)c(C)n1 2296620608 USMPAZNGMGPXKS-NRFANRHFSA-N 454.502 2.377 30 10 JEEE COc1ccc(C(O)=C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(OC)cc2OC)cc1 2297062066 IWBRXMLOQKAASF-QHCPKHFHSA-N 482.533 2.466 30 10 JEEE COc1ccc(N2C[C@@H](c3nnc(SCCO)n3N=Cc3ccccc3O)CC2=O)cc1 2325882367 JEJLFQOHQMBKDW-INIZCTEOSA-N 453.524 2.479 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CP(C)(C)=O)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2335466501 OEDWZFHNGKILEB-CQSZACIVSA-N 468.300 2.230 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@H](CCNC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C1 2337339584 VNWRXNMOGOHLAE-AWEZNQCLSA-N 467.397 2.198 30 10 JEEE Cn1cc(C(=O)NC[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2359277870 BDPGDUKHPZLMLH-UXLLHSPISA-N 460.384 2.237 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1CC(F)(F)CN1C(=O)OC(C)(C)C 2362343672 JFTPUVZLQSCBNT-ZDUSSCGKSA-N 470.326 2.094 30 10 JEEE CC(=O)OC[C@@]12C(=O)[C@@H](O)[C@@H](C)[C@]3(C[C@@H](c4ccoc4)O[C@H]3OC(C)=O)[C@H]1CCC[C@]21CO1 8382396 MVZLPYVWRQUGCU-QHBHDKJQSA-N 462.495 2.315 30 10 JEEE C/C(=N\Nc1nnc(Sc2nc3c([nH]2)c(=O)n(C)c(=O)n3C)[nH]1)c1ccc2ccccc2c1 105381517 RXEZZZUCKXRRPJ-OPEKNORGSA-N 461.511 2.219 30 10 JEEE C=CCSC1=NC(=O)C2=c3cc(Br)ccc3=N[C@@H](c3ccc4c(c3)OCO4)N2N1 588226651 HSARIKZZDKZNOB-GOSISDBHSA-N 471.336 2.240 30 10 JEEE C#CCN(CC(=O)O)C(=O)Nc1cc(I)cc(I)c1 690409921 SDDUJWCMDRIICJ-UHFFFAOYSA-N 484.031 2.448 30 10 JEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(-c3ccc(F)cc3)c2)c(=O)n1-c1ccccc1C 728557847 SEFQVIFCOHVBSH-UHFFFAOYSA-N 485.544 2.338 30 10 JEEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)O[C@@H](C)C(=O)NCCc1ccc2c(c1)OCCO2 914993182 BHLXLRVYRMOBJQ-KRWDZBQOSA-N 477.521 2.212 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)OCC(=O)N2CCC[C@H](C(F)(F)F)C2)ccc1F 919074795 HSVHNYIEOFCSNL-ZDUSSCGKSA-N 452.426 2.248 30 10 JEEE COc1cc(CNC(=O)CSc2nnc(NN=Cc3ccc(C)cc3)n2N)cc(OC)c1 1084611787 MDNPYRUMAAAAAU-UHFFFAOYSA-N 455.544 2.172 30 10 JEEE COc1ccc(CN(C)C(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)cc1OC 1115913103 CUCLSDBTAQOAGP-SFHVURJKSA-N 451.479 2.130 30 10 JEEE C#CC1(O)CN(C(=O)[C@@H](C)Oc2c(I)cc(Cl)c3cccnc23)C1 1158397263 BTWQWZHHRLCACW-SNVBAGLBSA-N 456.667 2.467 30 10 JEEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1CC1(CC)CCC1)[C@H]1CCS(=O)(=O)C1 1286392306 BHENGXCNDOTCFE-KRWDZBQOSA-N 475.640 2.477 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1Cc1ncnn1C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1286396706 YATSTUNABJRLDW-HXUWFJFHSA-N 481.626 2.199 30 10 JEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1286415065 GWSGHFUUJSKTRB-FDDCHVKYSA-N 453.568 2.071 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2cc(OC)ccc2OC(F)F)CC1 1286471816 AMNMOVGMVDRQPU-DEOSSOPVSA-N 491.539 2.344 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCCOc2ccc(F)cc2)CC1 1286473444 SOCKHSBCRYYAEW-XMMPIXPASA-N 457.550 2.294 30 10 JEEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1286611385 JBYZBTFXFDGCQV-UHFFFAOYSA-N 487.674 2.361 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1286778481 BEFJIXUWEPMFOP-JXFKEZNVSA-N 469.521 2.171 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCN(c2ncccn2)CC1 1286782680 CCLAVYSMDGVVLN-UHFFFAOYSA-N 497.401 2.435 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(c2ccccc2OCC)CC1 1286789379 FVFMCKVBLVYLSP-UHFFFAOYSA-N 461.570 2.291 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H]2CCCN(C(=O)Cc3ccccc3)C2)ccc1F 1296877168 RJOSWXUHXPKWSQ-IBGZPJMESA-N 459.543 2.254 30 10 JEEE CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CN(CC(C)C)CCO1 1297653185 GPQDIDUXVKEMEU-KNQAVFIVSA-N 488.658 2.433 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)Nc3ccccn3)n2C[C@H](OC)C2CC2)c1 1300332126 XUJISVNLZSXBNR-FQEVSTJZSA-N 473.537 2.407 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)c1 1300332132 XXBYCQFFAANSRQ-QURGRASLSA-N 475.553 2.158 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2C[C@]2(OC)CCOC2)c1 1300334515 NWWKWEYBEBHKHL-RUZDIDTESA-N 460.538 2.126 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@H](C)c1ncc(C)s1)[C@@H]1CCS(=O)(=O)C1 1300479633 QTSSNCHIZNETRW-DOTOQJQBSA-N 499.622 2.121 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@]1(O)CCO[C@@H]1C 1300574883 OBGVWDRTGQAFRH-NIYFSFCBSA-N 474.565 2.239 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2Cc2nnc(C(C)(C)C)s2)CC1 1300725719 CNUPMOMQNZFUJG-UHFFFAOYSA-N 478.626 2.427 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(N(C)c2ccccc2)CC1 1300952446 WBUKRONVDIIKDI-NRFANRHFSA-N 474.631 2.292 30 10 JEEE C=C(Cl)Cn1c(N2CCN(CC(=O)NCCOC)CC2)nnc1C1(c2ccccc2)CCC1 1301060458 GBHKYLYWWVTXOW-UHFFFAOYSA-N 473.021 2.385 30 10 JEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(n2cc(Cl)cn2)CC1 1301257613 BXFLJVZYDLIRCU-INIZCTEOSA-N 469.011 2.464 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(C(N)=O)CCCC1 1301425429 VNBBULSDTRHCBK-GOSISDBHSA-N 492.621 2.271 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2OCC)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1301519569 PLRYMDKRQDDLHR-UHFFFAOYSA-N 499.616 2.188 30 10 JEEE C#CCCCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1358924150 NMPJPPSXJWRGIH-YLJYHZDGSA-N 455.994 2.396 30 10 JEEE C#CCCCn1c(Cc2ccccn2)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1358932116 YZIUHZZLYUGCFC-UHFFFAOYSA-N 464.595 2.497 30 10 JEEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1CC1(O)CC(OCC)C1)[C@H]1CCS(=O)(=O)C1 1358956274 CSEYLCKMRFQRBI-SSGNBPMWSA-N 486.638 2.377 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1cccc(OCC)c1)[C@@H]1CCS(=O)(=O)C1 1358961277 VQOMCNRMZMOBBJ-LJQANCHMSA-N 451.552 2.414 30 10 JEEE C#CCN(c1nnc(C2CCCC2)n1CC(C)(C)N1CCC(OC)CC1)[C@@H]1CCS(=O)(=O)C1 1358962921 ZBYHSTMYWCHACA-HXUWFJFHSA-N 477.675 2.452 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1CCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1358965009 MCRHJLHTZWZFDA-OAQYLSRUSA-N 452.584 2.009 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1Cc1cc(COC(C)(C)C)on1)[C@H]1CCS(=O)(=O)C1 1358966161 JBIPVACYMWKWTI-SFHVURJKSA-N 461.588 2.209 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1CCN1CCN(C)C(C)(C)C1 1358974139 SALYMMCPJXLZGJ-UHFFFAOYSA-N 450.587 2.061 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC(C)(C)N1CCOCC1 1359022976 TZLBULLUJCJXCE-UHFFFAOYSA-N 463.586 2.328 30 10 JEEE C#CCSCCn1c(-c2cc(Br)cn2C)nnc1N1C[C@H](OC)[C@H](OC)C1 1359050069 FMDCBAXZLOXKOU-IYBDPMFKSA-N 454.394 2.263 30 10 JEEE C=C(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1359117179 JPNRFKJWSCCCNB-QHCPKHFHSA-N 485.976 2.252 30 10 JEEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 1359207781 XEPVLVYIRFPDTD-OAQYLSRUSA-N 465.602 2.310 30 10 JEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCN(CC(C)C)C1)C1CC1 1359251447 LNEVGZFZZDQNPZ-TZIWHRDSSA-N 480.679 2.134 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2CC(=O)NCC2CC2)C1 1359313371 LAEYVWLVIHTYNS-MRXNPFEDSA-N 463.380 2.354 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 1359331936 KWKVGXXLOOCDIJ-GOSISDBHSA-N 493.655 2.453 30 10 JEEE C=CCCC[C@H](NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1Br)C(=O)OC 1475688848 OJQIQORQFPZHHP-ZDUSSCGKSA-N 454.364 2.029 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(Br)cn2C)n1C[C@H]1CCCCS1(=O)=O 1507662642 UGQPONNWHHRRKG-QGZVFWFLSA-N 478.416 2.476 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2c(CC)nn(C)c2Cl)CC1 1507843647 PPZFFXTVVIETNK-IBGZPJMESA-N 491.040 2.093 30 10 JEEE C=C(Cl)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(CCOC)CC1 1507856812 DNIIUMQRZMHBAY-UHFFFAOYSA-N 468.027 2.068 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1CCC(O)CC1 1508007754 HXVMSAGZMUSKLM-GOSISDBHSA-N 479.672 2.281 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1508146473 YBBOWCASAUHMTK-UHFFFAOYSA-N 464.636 2.395 30 10 JEEE CC(C)OCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCOCC2)CC1 1509877245 HJMCKKBHEVEGIE-UHFFFAOYSA-N 467.618 2.086 30 10 JEEE CCC[C@H](C)C(=O)NCCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1514284440 DORBXBQFOCLBJK-UGKGYDQZSA-N 493.612 2.402 30 10 JEEE CCN1CCCC[C@@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C#N)C1 1515858639 ALFPARXOOPIEDH-UXHICEINSA-N 471.993 2.465 30 10 JEEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2nnc(C)s2)C[C@H]1C 1519229174 HJLGZLHJGNLJDD-MRXNPFEDSA-N 452.588 2.376 30 10 JEEE C=C(C)C[C@H](NC(C)=O)C(=O)N1CCN(Cc2nc(O)c3c4c(sc3n2)CCCC4)CC1 1529448049 AVPHCVQEZFDLAM-KRWDZBQOSA-N 457.600 2.391 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCOCc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1539221576 QCCBQKLHWOYRAQ-NHCUHLMSSA-N 488.610 2.024 30 10 JEEE C#CCN(CCOC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H]1COc2ccccc2O1 1539401018 PQOYMAKIXWMFCQ-NTKDMRAZSA-N 456.543 2.245 30 10 JEEE C#CCSCCn1c(Cc2ccccc2C)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1539518811 AZRLHKRKCLOBKT-IBGZPJMESA-N 464.599 2.076 30 10 JEEE C=C(Cl)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1539787037 GNCLLKRFTVOVJM-OAHLLOKOSA-N 460.922 2.188 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)CN1CCOCC1 1540146532 GQELSEBYUANGJH-MOPGFXCFSA-N 479.672 2.403 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N(C)[C@@H]1CCOC1 1540866643 VFZWTLKWZRMFEF-CQSZACIVSA-N 450.337 2.244 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](CC)c2ccccc2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1540898137 AWXSETDLAKXXEO-UXHICEINSA-N 457.600 2.232 30 10 JEEE Cc1ccc(C)c(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCNC(=O)c2ccco2)c1 1542284337 GEVKMHURLNZHOT-SFHVURJKSA-N 450.499 2.226 30 10 JEEE N#C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)c2cn(-c3cccnc3)nn2)CC1 1543136912 DWTTXVGUZRPDAB-IBGZPJMESA-N 452.316 2.447 30 10 JEEE CNC(=O)[C@H]1CN(C(=O)CCc2c(C)n[nH]c2C)CCN1c1ccc(C#N)c(C(F)(F)F)c1 1548367636 BHTHSWCHQDXORD-LJQANCHMSA-N 462.476 2.313 30 10 JEEE CN(CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@](F)(C#N)C1)CC(F)(F)F 1554291176 IFRFXFKXSLYDDB-HXUWFJFHSA-N 478.454 2.128 30 10 JEEE N#Cc1ccc(CNC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@H]2CCCO2)C3=O)cc1Cl 1585969754 CCQYXPOJUZXYIK-MRXNPFEDSA-N 459.911 2.465 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCc1csc(C(C)(C)C)n1)[C@@H]1CCS(=O)(=O)C1 1588054303 NEAIFVFLKRXDBD-SJLPKXTDSA-N 477.656 2.405 30 10 JEEE C#CCN(c1nnc([C@@H]2COc3ccccc3O2)n1CCOCC(=C)C)[C@@H]1CCS(=O)(=O)C1 1588059427 NYRGWCXQCXUARI-NQIIRXRSSA-N 472.567 2.010 30 10 JEEE C#CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H](CC)OC)[C@H]1CCS(=O)(=O)C1 1588073961 GKLLPZBNEFVPIE-ZSYWTGECSA-N 495.646 2.101 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(Br)cc3)n2CC[S@@](=O)CC)CC1 1588865650 ZTARNBBSSHIISS-LJAQVGFWSA-N 480.432 2.143 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@H](F)COC)CC1 1588967848 BZAVFPJLQYVVED-OALUTQOASA-N 492.596 2.300 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1589527967 BZICTTVZDKVEHU-ZJOUEHCJSA-N 474.631 2.395 30 10 JEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1593741559 SADRXXWQEPXRCH-JOCHJYFZSA-N 463.586 2.406 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCn2cncn2)C1 1595720552 ACHRIHHSHSTHQQ-MOPGFXCFSA-N 472.594 2.466 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1ncc(Cl)n1C 1595772428 AIUDSOVBKOBENW-UHFFFAOYSA-N 459.963 2.441 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC(C(=O)NC)CC1 1595824233 ZHTGFCDTANVBHK-UHFFFAOYSA-N 475.615 2.037 30 10 JEEE CC(=O)N1CCN([C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCN(C)C(C)C)C[C@H]2C)CC1 1596267806 MSCCXASFOZFOEN-HYBUGGRVSA-N 478.645 2.146 30 10 JEEE CC(C)Cc1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1C[C@]1(O)CCS(=O)(=O)C1 1603408356 CNCGHDQSACMCQL-HSZRJFAPSA-N 455.584 2.192 30 10 JEEE CCC(O)(CC)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1613669256 CWIWIFDNUOXKFZ-OAQYLSRUSA-N 465.602 2.364 30 10 JEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@H](NC(=O)c3ccc(Cl)cc3)C2)c1 1647998077 HXEQEFPTRALCKL-IBGZPJMESA-N 459.955 2.286 30 10 JEEE C#CCN(C(=O)CCNS(=O)(=O)c1cccs1)C1CCN(C(=O)OC(C)(C)C)CC1 1651973735 UVDSTSBILVIAHY-UHFFFAOYSA-N 455.602 2.278 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CC(=O)Nc1c(C)cccc1C)[C@H]1CCS(=O)(=O)C1 1689992102 HOPOIIZYOQVMNH-NRFANRHFSA-N 492.605 2.146 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCCC(F)(F)C1 1690047686 WWZUMZKPOIZHLF-OALUTQOASA-N 483.585 2.290 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCCCN2C[C@@H](C)C[C@@H](C)C2)CC1 1690109040 DNTQOTNANWXEHN-SZPZYZBQSA-N 455.651 2.027 30 10 JEEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1690165803 KFIFAFRJVOYKTB-KRWDZBQOSA-N 470.599 2.369 30 10 JEEE C#CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@H](C)[C@@H](OC)C1 1690170050 XOPQWOIVXKPEPG-WMZOPIPTSA-N 462.645 2.466 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](OC)c1ccc(Cl)cc1 1690528190 XUILTBXQTAXQNO-MSOLQXFVSA-N 469.995 2.274 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCOC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1690603421 AVTJYDIFOAIBDY-RTWAWAEBSA-N 459.616 2.299 30 10 JEEE C=CCN(CCOC)c1nnc(Cc2ccc(Cl)cc2)n1CC1(O)CCS(=O)(=O)CC1 1690623979 BKQOTCJSIQPIAB-UHFFFAOYSA-N 469.007 2.101 30 10 JEEE CCc1noc([C@H](C)N2CCN(c3nnc(-c4cccc(C#N)c4)n3CC(C)(C)C(=O)NC)CC2)n1 1694767764 APMFKQUHDHFPSJ-KRWDZBQOSA-N 491.600 2.418 30 10 JEEE COc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1CCCN1CCCO[C@H](C)C1 1697617575 CXHMFQRKEPGLPW-UXHICEINSA-N 470.574 2.095 30 10 JEEE N#Cc1cccc(-c2nnc(N3CC[C@H](C(N)=O)C3)n2Cc2cccnc2OCC(F)F)c1 1698486067 GLHRAXBGDRLDNE-INIZCTEOSA-N 453.453 2.216 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCCCS(C)(=O)=O 1705491997 KLGJWFAKWXCKQK-SFHVURJKSA-N 459.620 2.125 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCO[C@@H]2C(=C)C)c1 1705506594 BXYKMJDGUOXKQZ-TXTKFYIRSA-N 497.621 2.218 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1cccc(CN(CC)CC)c1)[C@H]1CCS(=O)(=O)C1 1705565229 HGKKPPQOPDHJNN-PKTZIBPZSA-N 485.654 2.299 30 10 JEEE C#CCN(c1nnc(COc2ccccc2CC)n1C[C@@](C)(O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1705568856 WIFLRUZZKGTTBG-HYBUGGRVSA-N 474.627 2.453 30 10 JEEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1CC1(C)COC1)[C@@H]1CCS(=O)(=O)C1 1705569146 ZXKFNRPKNYBEDJ-LJQANCHMSA-N 458.584 2.137 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1Cc1cccnc1OCC)[C@H]1CCS(=O)(=O)C1 1705569888 IBSSQVHXHDYYBN-NRFANRHFSA-N 495.605 2.346 30 10 JEEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)CCc1ccccc1[N+](=O)[O-] 1705681245 QCBFSESRKKDFNU-ZDUSSCGKSA-N 487.380 2.384 30 10 JEEE C=C1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC2(C(N)=O)CCOCC2)CC1 1705769245 MVLVEXFXPHJERH-SFHVURJKSA-N 490.605 2.025 30 10 JEEE C=CC[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](CNC(C)=O)C1)c1ccccc1 1705795311 HETPEAKDIIVTSR-FGZHOGPDSA-N 466.586 2.215 30 10 JEEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(Cn2ccnn2)CC1 1705890880 OFTHIOZGLSKQCZ-GOSISDBHSA-N 458.567 2.281 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(OC)nc2OC)C1 1705929308 NXGQWBBJPNMCNA-LJQANCHMSA-N 453.547 2.382 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@@H](c1ccco1)N1CCCC1 1706878875 HIFAIHOHJBQDMA-SPEDKVCISA-N 475.619 2.448 30 10 JEEE COCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1712421605 FKKJTBDMXDBPIS-KRWDZBQOSA-N 465.524 2.468 30 10 JEEE C=C(Br)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](OC)[C@H](OC)C1 1722479565 HNLQTEXOHROKLJ-IYBDPMFKSA-N 471.377 2.107 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC(=O)N(C)CC)C1 1722709055 JAJKKSRTWZNQIA-GOSISDBHSA-N 460.966 2.121 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 1722736598 CDWJFAPJRWCYLQ-BRWVUGGUSA-N 469.608 2.080 30 10 JEEE CC[C@@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1727092371 GZGNIBMQEQVCQJ-NFBKMPQASA-N 478.645 2.338 30 10 JEEE COc1cccc(C(C)(C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)c1 1730209120 DFRVLYZDQNFDIB-YCRPNKLZSA-N 464.567 2.317 30 10 JEEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCNS(=O)(=O)Cc1ccon1 1740603536 VZPGAZXWZCFGAI-HNNXBMFYSA-N 474.612 2.308 30 10 JEEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H](C)CNC(=O)OC(C)(C)C 1740607395 OSODZGZYNCRCRL-MRXNPFEDSA-N 465.558 2.422 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1Cc1cnn(CC)c1)[C@@H]1CCS(=O)(=O)C1 1740618088 BXOCKGZXTUSSMT-GOSISDBHSA-N 490.536 2.438 30 10 JEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CCCCN1CC 1740631494 BGTAJLLQWWMRHA-FQEVSTJZSA-N 467.643 2.494 30 10 JEEE C#CCN(CC)c1nnc(Cc2ccc(Cl)cc2)n1CCS(=O)(=O)N1CCSCC1 1740670029 HUFHGQYNYSQYAM-UHFFFAOYSA-N 468.048 2.360 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CCSCCCO)CC1 1740693198 URIWCHFKSWNJIU-UHFFFAOYSA-N 451.600 2.206 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCN2CCCCC2=O)CC1 1740697842 MZSNBQCZFMUQAZ-UHFFFAOYSA-N 451.531 2.011 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1CCNC(=O)c1ccccc1F 1740725745 PNVUXLDGMJGEIZ-DNQXCXABSA-N 455.534 2.491 30 10 JEEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@H](SCC)C1 1740792024 DFJJJWJLGINTOX-OALUTQOASA-N 487.692 2.316 30 10 JEEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1740821651 ICBCPVVOXSYNCC-HOTGVXAUSA-N 490.026 2.352 30 10 JEEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2nccc(OC)n2)CC1 1740857523 PHNDERVMQPPQBN-UHFFFAOYSA-N 463.546 2.407 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1740952883 QAWWZTLTPYVLKF-PMACEKPBSA-N 451.575 2.163 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N(C)[C@@H]1CCCN(Cc2ccccc2)C1 1740992695 SWOAJHOIDZUZOV-FGZHOGPDSA-N 473.643 2.484 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@@H](C(=O)OC)C1 1740994811 UCWREYIHTGTKJX-GOSISDBHSA-N 462.572 2.074 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cccc(COCC(F)(F)F)c1 1741678555 GNZZSTGPRXJBDN-QGZVFWFLSA-N 466.464 2.272 30 10 JEEE Cc1ccc(OCc2nnc(N(C)C[C@H](C)C#N)n2C[C@@H]2CCN(S(C)(=O)=O)C2)cc1C 1742263087 GICLCMXAFKJIGC-VQIMIIECSA-N 460.604 2.351 30 10 JEEE CNC(=O)[C@@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(N(C)C)CCSC2)C1 1748129393 AOCSJLMDSKLNJZ-XZOQPEGZSA-N 453.616 2.216 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccccc1S(=O)(=O)N(C)C 1748642967 SBIWJPIJWQAISK-WZONZLPQSA-N 475.615 2.075 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@]1(C)COCCO1 1748663805 AHBUCAXVPGSAJG-BXKMTCNYSA-N 450.543 2.328 30 10 JEEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1749086448 LKGPMJAUGIFYRA-SJORKVTESA-N 485.427 2.493 30 10 JEEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2cccc(F)c2)C1 1749212906 AUYDJPAKVYTYJB-VQIMIIECSA-N 467.567 2.198 30 10 JEEE C=C1CCN(c2nnc(-c3cccc(OC)c3)n2CCNS(=O)(=O)Cc2ccon2)CC1 1749287931 GUNNIDUTPYWMMF-UHFFFAOYSA-N 458.544 2.218 30 10 JEEE C=C1CCN(c2nnc(COc3ccc(Br)cc3)n2CCS(=O)(=O)NC)CC1 1749312791 SNARWUGBUWPHOL-UHFFFAOYSA-N 470.393 2.325 30 10 JEEE C=CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1749604198 CEQVOZHPPJIMMB-IBGZPJMESA-N 453.591 2.370 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1749657802 GDHRBTNTRZQLLP-MRXNPFEDSA-N 492.367 2.027 30 10 JEEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2C#N)CC1 1749744864 PRARTJRUZUQPAY-KRWDZBQOSA-N 475.644 2.006 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc(Cc2cccnc2)n1CCOc1ccc(S(C)(=O)=O)cc1 1750076778 BELNRTDRWHDIGE-KRWDZBQOSA-N 454.556 2.342 30 10 JEEE C#CCN(c1nnc([C@H]2COc3ccccc3O2)n1CCN(CC)C(C)C)[C@H]1CCS(=O)(=O)C1 1760187012 SITFATZDETZEKJ-SIKLNZKXSA-N 487.626 2.148 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(F)(F)F)n1 1760219432 DXUNFHQFNVOHEA-HNNXBMFYSA-N 451.474 2.105 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)Oc2ccc(F)cc2)CC1 1760265038 LTTXBKSUMPAXSC-GOSISDBHSA-N 482.560 2.087 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccccc2OC(C)C)CC1 1760268913 RABLGEZIFCJFMY-UHFFFAOYSA-N 461.570 2.480 30 10 JEEE C#CCSCCn1c(-c2ccccc2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1760278266 OZPUKHGVEDEPHO-UHFFFAOYSA-N 452.628 2.446 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(C)C)CC1 1760322585 UVHVNUJGTPPPIJ-UFYCRDLUSA-N 451.637 2.082 30 10 JEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 1760565864 GNRJLOAJUCEKMR-GOSISDBHSA-N 493.630 2.087 30 10 JEEE CCC1(Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3nccnc3C#N)C[C@@H]2C)CCC1 1762512316 CZZYVKYZOFRIGW-KRWDZBQOSA-N 451.579 2.373 30 10 JEEE CCN(CC(C)C)c1nnc(COc2ccc(C#N)cc2)n1CCN1CCN(C(C)=O)CC1 1766539671 BAQOFWWIXCZAJB-UHFFFAOYSA-N 453.591 2.375 30 10 JEEE CCn1cnnc1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1766979860 FDZPSTVPSYGKOP-UHFFFAOYSA-N 477.573 2.083 30 10 JEEE CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CCc2cccs2)CC1 1768292458 BSRPDPCBSONRPA-UHFFFAOYSA-N 499.666 2.182 30 10 JEEE COCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1770978156 GTVSGECTGLJHOV-VWLOTQADSA-N 476.585 2.338 30 10 JEEE COc1cc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCN2CCOCC2)ccc1O 1862677451 DWJYYPLPKATMSZ-OAQYLSRUSA-N 456.470 2.450 30 10 JEEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc([N+](=O)[O-])cc1 1862754321 JGVXGKFKXNKVAX-GOSISDBHSA-N 454.395 2.217 30 10 JEEE N#Cc1nnn(-c2ccc3[nH]ncc3c2)c1NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccccn1)C2=O 1870141696 GIIGTXDQJMDIRH-UHFFFAOYSA-N 489.455 2.459 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)Nc2nccs2)cn1CCCN1CCOCC1 1870503487 MQDLGLAHYISYBR-UHFFFAOYSA-N 487.626 2.219 30 10 JEEE C=CCn1cc(OCC(=O)OCCOCC)c(=O)cc1CN1CCN(c2ccccc2F)CC1 1870670613 FBXZTKMDRSWLJI-UHFFFAOYSA-N 473.545 2.454 30 10 JEEE C=CCn1cc(OCC(=O)Nc2cc(Cl)cc(Cl)c2)c(=O)cc1CN1CCN(CCO)CC1 1870702545 UDTVNUIKZGYTIU-UHFFFAOYSA-N 495.407 2.469 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)COc2nonc2CC(=O)N2C[C@H](C)C[C@@H](C)C2)nc1C 1872636768 FKNJWFWVJFWRMT-CHWSQXEVSA-N 477.543 2.242 30 10 JEEE CCCOc1c(Br)cc(/C=N/n2c(CNC(C)=O)nnc2SCCO)cc1OC 1874435848 AJVBSTROMODLNL-UFFVCSGVSA-N 486.392 2.441 30 10 JEEE CC(C)N1C(=O)CS[C@H](C(=O)N2CCC(C(=O)N3CCOCC3)CC2)[C@@H]1c1ccc(C#N)cc1 1890729977 HIWJTBSHKNVRST-GOTSBHOMSA-N 484.622 2.049 30 10 JEEE CC(C)N1C(=O)CS[C@H](C(=O)N2CC[C@@H](Oc3ncccn3)C2)[C@@H]1c1ccc(C#N)cc1 1891291321 UKSROAVGLCYZHJ-GIVPXCGWSA-N 451.552 2.422 30 10 JEEE CC1(C)OB([C@H]2[C@@H]3CN(S(=O)(=O)CCCCN4C(=O)c5ccccc5C4=O)C[C@@H]32)OC1(C)C 1999985592 KVTCSNJWDKEGGI-BWTSREIZSA-N 474.388 2.417 30 10 JEEE C=CCN(CCC(=O)N1C[C@@H]2CN(C(=O)OC(C)(C)C)[C@@H](CO)[C@H]2C1)C(=O)OC(C)(C)C 2220102102 HQTRAOPAXXRXIO-SQNIBIBYSA-N 453.580 2.486 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@H]2NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2255941366 IDPRAVWJPSOCHN-INWMFGNUSA-N 470.422 2.333 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](F)C[C@H]1C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2256623152 BIMFIEYCZVYWIA-OLZOCXBDSA-N 455.361 2.406 30 10 JEEE CC(C)(C)OC(=O)NC(C)(C)[C@H](O)C(=O)NCc1sccc1B1OC(C)(C)C(C)(C)O1 2256641169 SYHLEWUXIYANCP-OAHLLOKOSA-N 454.398 2.328 30 10 JEEE C[C@H](CCCNS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1)NC(=O)OC(C)(C)C 2267378952 UKJROAGMLSGKPI-OAHLLOKOSA-N 469.413 2.353 30 10 JEEE COC(=O)[C@H](CCNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)NC(=O)OC(C)(C)C 2267588642 ORNZQSODIRFTOY-ZDUSSCGKSA-N 468.381 2.234 30 10 JEEE C[C@H]1C[C@@H](C)[C@@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)CN1C(=O)OC(C)(C)C 2268710444 IELMAMSQZFJMIP-RDBSUJKOSA-N 466.413 2.479 30 10 JEEE CN(C)[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1Oc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2269068097 BABXRXYCYGXCGQ-DLBZAZTESA-N 451.348 2.448 30 10 JEEE Cc1c(C(=O)NC[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281988555 OCCVQAWPUWIZBY-HZPDHXFCSA-N 462.400 2.451 30 10 JEEE CC[C@@]1(NS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CCN(C(=O)OC(C)(C)C)C1 2282330235 WVKGHJGFENGMHA-JOCHJYFZSA-N 481.424 2.449 30 10 JEEE CCc1nc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2CO)c(B2OC(C)(C)C(C)(C)O2)s1 2282524014 GKKDLGSZEMWAJS-AWEZNQCLSA-N 481.424 2.059 30 10 JEEE Cn1cc(C(=O)N[C@@H]2CC[C@H]3CC[C@H]2N3C(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2282551952 MZHNPITWAWTKTJ-ZMSDIMECSA-N 460.384 2.380 30 10 JEEE CN(C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1)[C@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C 2282557539 WLKBVQHJRITQLR-WBVHZDCISA-N 462.400 2.485 30 10 JEEE CC1(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(O)cc2O)CN(C(=O)OC(C)(C)C)C1 2282969111 YYRBMDUHFQEZOS-UHFFFAOYSA-N 462.352 2.384 30 10 JEEE CC(C)(C)OC(=O)N[C@@]12CCC[C@H]1CN(C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)C2 2283070103 UWNHQBMPEVDIOF-NPMXOYFQSA-N 458.368 2.295 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2Cc3ccc(B4OC(C)(C)C(C)(C)O4)cc3C2)C1 2284044995 HUYXFIVGUAJTFO-XMMPIXPASA-N 458.364 2.200 30 10 JEEE CC(C)(C)OC(=O)NC1(C(=O)N2CCc3cc(B4OC(C)(C)C(C)(C)O4)ccc32)CC(O)C1 2284058669 OEGBSVKNOXUYAW-UHFFFAOYSA-N 458.364 2.293 30 10 JEEE Nn1c(SCC(=O)Nc2ccc3c(c2)OCCO3)n[nH]c1=NN=CC=Cc1ccccc1 2313701529 AMUJFPIYGSLQKP-UHFFFAOYSA-N 451.512 2.027 30 10 JEEE O=C(C=Cc1ccc2c(c1)OCO2)C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 2325700200 NFZYGNGUUXSUTG-UHFFFAOYSA-N 452.448 2.227 30 10 JEEE CN[C@@](C#N)(Cn1cnc(I)c1I)[C@H]1CC1(F)F 2327274296 JHYKWQJBHQTSAM-MUWHJKNJSA-N 478.022 2.229 30 10 JEEE CCNS(=O)(=O)c1ccc(NC(=O)CSc2n[nH]c(N/N=C/c3ccccc3OC)n2)cc1 21080135 GZDJWEOPQRYLHQ-CIAFOILYSA-N 489.583 2.288 30 10 JEEE N#CCOc1ccc(C2=NO[C@@H]3[C@H]4C[C@H]([C@@H]5C(=O)N(c6ccc7c(c6)OCO7)C(=O)[C@H]54)[C@H]23)cc1 504474725 ZWSOCJIEOMTHPH-OCNOADCQSA-N 457.442 2.492 30 10 JEEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2)CC1 512709803 GLQNONVOFOAKAS-UHFFFAOYSA-N 476.986 2.201 30 10 JEEE COc1ccc(N2NOC(=O)/C2=C/C(=NC(=O)c2ccccc2)C(=O)N2CCSCC2)cc1 585673361 CDQBVDYGXJGJDK-AGKNUVCWSA-N 466.519 2.219 30 10 JEEE O=C(NCC#CC(=O)N1C[C@H]2CCO[C@]2(C(=O)O)C1)OCC1c2ccccc2-c2ccccc21 757470311 FTMCEEDQZVTEAM-WGDIFIGCSA-N 460.486 2.231 30 10 JEEE O=C(C#CCNC(=O)OCC1c2ccccc2-c2ccccc21)N[C@@H](Cc1cnc[nH]1)C(=O)O 757470872 KZHUIVRPZVSHTL-QFIPXVFZSA-N 458.474 2.064 30 10 JEEE CC(C)n1cnnc1SCC(=O)[C@@H](C#N)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 916948569 GLUDFPRTMZVPLX-GOSISDBHSA-N 490.611 2.473 30 10 JEEE CCSc1nnc(NC(=O)CSc2n[nH]c(NN=Cc3c(C)nn(C)c3C)n2)s1 1084412754 PZDWKKZAZSSIIK-UHFFFAOYSA-N 452.595 2.295 30 10 JEEE N#C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@@H]2COCCN2CC(F)F)CC1 1136703963 GTXPKPOXMWACLI-SJORKVTESA-N 457.319 2.124 30 10 JEEE C#C[C@@H](NC(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2)c1ccc(Cl)cc1F 1140478388 POMQFIUOYKPCIW-QGZVFWFLSA-N 452.891 2.409 30 10 JEEE COC(=O)CCNC(=O)[C@@H]1CS[C@H](C)N1C(=O)c1ccc(COc2ccccc2C#N)o1 1161022483 BURLDHYBLOKCCX-PBHICJAKSA-N 457.508 2.313 30 10 JEEE C#CCNS(=O)(=O)c1ccc(C(=O)NCCc2cn(Cc3ccc(Cl)cc3)cn2)cc1 1181347937 ACLBQDCRZFOPQC-UHFFFAOYSA-N 456.955 2.469 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1c(C)nn(C)c1C 1286279194 KDDCAQLPCBBUQB-OAHLLOKOSA-N 455.588 2.052 30 10 JEEE C#CCCCCn1c(-c2cc(Br)cn2C)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1286314617 FQDQFEHECRWBKL-KRWDZBQOSA-N 478.416 2.476 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CCN(C)C(=O)OC(C)(C)C)CC1 1286490868 VQRSLJTUOWOJTK-UHFFFAOYSA-N 481.601 2.481 30 10 JEEE C#CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H](C)CC(N)=O 1286511907 FTUDTIZSSGPXEU-HOTGVXAUSA-N 450.609 2.417 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@](C)(O)CC)C1 1286805907 VGXXGQPLWQHSFK-XMSQKQJNSA-N 463.604 2.138 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCc3ccc(OC)cc3C2)nnc1[C@]1(OCC)CCOC1 1286824538 DRZXLGWEDOVIAV-QHCPKHFHSA-N 476.599 2.102 30 10 JEEE CC(C)(C)NC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCOC2(CCOCC2)C1 1287047339 GDQIMVLNSGMUMN-UHFFFAOYSA-N 482.585 2.419 30 10 JEEE CC(C)COC(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N(C)C)CC1 1287798045 BTFMWAWODSAVHZ-UHFFFAOYSA-N 453.547 2.210 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CCCN1CCCCC1=O 1288173287 BOGOYNDMBBVKPO-OAQYLSRUSA-N 479.585 2.268 30 10 JEEE C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1cccc(Cl)c1 1288524267 AXBHGZVSXDBTNP-CRAIPNDOSA-N 482.994 2.082 30 10 JEEE C=CCOc1ccccc1CN(C(=O)C1CN(S(C)(=O)=O)C1)c1ccc2c(c1)OCCO2 1293124582 AWFAFMGBTCVDOF-UHFFFAOYSA-N 458.536 2.447 30 10 JEEE CC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCCS2(=O)=O)CCO1 1293636249 BKLBUOHCHDWNMP-AZUAARDMSA-N 459.572 2.311 30 10 JEEE CCNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)OC(C)(C)C)CC1 1296307342 FWVUYCBIXKRYLE-UHFFFAOYSA-N 468.562 2.193 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1CCCCN1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1300487907 NFMXJKICEXDVEY-OAQYLSRUSA-N 472.659 2.422 30 10 JEEE C#CCSCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCO[C@@H](C)C1 1300768681 VPUHHQQGPIJEBE-NRFANRHFSA-N 454.644 2.234 30 10 JEEE C=C(Br)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1300832891 QUOZPVOIYHIHTG-QGZVFWFLSA-N 487.402 2.298 30 10 JEEE C=C(Br)Cn1c(Cc2cn3ccccc3n2)nnc1N(C)CCCS(C)(=O)=O 1300852978 GTZUDIYJJGCCGK-UHFFFAOYSA-N 467.393 2.296 30 10 JEEE C=C(C)CN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCN1CCCS1(=O)=O 1300899939 KDUQWFIUTFKWTG-UHFFFAOYSA-N 481.022 2.299 30 10 JEEE C=C(C)Cn1c(N2CCC(N(C)S(C)(=O)=O)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1300965073 DSCGDPTYHJGVFG-CALCHBBNSA-N 482.651 2.485 30 10 JEEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1301143662 NCUBSMXBPUKIEE-INIZCTEOSA-N 472.977 2.356 30 10 JEEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](Cn2cccn2)C1 1301206956 MFNOPXQRYDHJTH-IBGZPJMESA-N 456.572 2.417 30 10 JEEE C=CCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1301208310 RMSGWQKEQKQKSI-UHFFFAOYSA-N 480.598 2.336 30 10 JEEE C=CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1301209554 YIVFJQRLJLGQRD-GOSISDBHSA-N 454.531 2.401 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCN(C(=O)C(C)C)CC1 1301492887 QPSYRQHHRUADJY-UHFFFAOYSA-N 493.381 2.454 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC(c2ncc(C)s2)CC1 1301568894 YXIMGMXPOJBRMR-UHFFFAOYSA-N 478.644 2.264 30 10 JEEE CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2CCS(=O)(=O)CC2)C1 1313463843 AQGIDHCNVGPYNA-OAQYLSRUSA-N 484.626 2.384 30 10 JEEE C=CCOc1ccccc1CN(C(=O)CN1CC(=O)N(C)C1=O)c1ccc2c(c1)OCCO2 1348530376 RTCGYBSMRABZTR-UHFFFAOYSA-N 451.479 2.450 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCCC(=O)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1358958095 HPFHIMKFEXBRSD-OAQYLSRUSA-N 482.610 2.092 30 10 JEEE C#CCN(c1nnc(CC)n1CCc1ccc(OC)c(Br)c1)[C@@H]1CCS(=O)(=O)C1 1358963557 KECSKMMVUOZCGS-MRXNPFEDSA-N 481.416 2.481 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1nnc2n1CCCCC2 1358979288 IMLOWIPECGIEHQ-LJQANCHMSA-N 494.600 2.026 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](C)N1CCN(CC)CC1 1359017139 VHAWNRVZJALGBL-SIKLNZKXSA-N 467.593 2.034 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CCOc2ccc(OC)cc2)CC1 1359046485 TVJCVDYWXSYBQY-UHFFFAOYSA-N 474.565 2.317 30 10 JEEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1359062434 IEDDNQPOSGUEKX-OTWHNJEPSA-N 495.646 2.098 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1359084043 WUXWHRITKTXOPK-IPELMVKDSA-N 481.439 2.070 30 10 JEEE C=C(Cn1c(-c2cnn(C)c2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1)c1ccccc1 1359138910 HEGQEMGPLNNQKZ-UHFFFAOYSA-N 455.588 2.252 30 10 JEEE C=CC[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](C)(C(N)=O)C1)c1ccccc1 1359195604 PBPDUQTWPQMPIM-MSYCTHLASA-N 457.600 2.242 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(O)CCC[C@H]1C 1359259336 SPYFNKDGSCAOIJ-NHCICSSKSA-N 489.642 2.355 30 10 JEEE C=CCn1c(N2CCN(CC(=O)NC3CCC(C)CC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1359290502 DHKRPLBBLIUYNE-UXIGSVSMSA-N 474.650 2.322 30 10 JEEE CC(=O)N1CCN([C@@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCN(C)C(C)C)C[C@H]2C)CC1 1359399176 LLTHAYHKHSQFIZ-HYBUGGRVSA-N 478.645 2.146 30 10 JEEE C[C@H](CN1CCOCC1)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1360603479 HKZIBKDTLVQIQP-HXUWFJFHSA-N 479.629 2.480 30 10 JEEE COC[C@H](C)Cn1c(CN2CCCC2=O)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1504570365 DNMOUPLEUBLPNK-HXUWFJFHSA-N 465.602 2.267 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2C[C@]2(C)COCCO2)c1 1507550317 IYPSWQUQKBXGCQ-YADARESESA-N 453.543 2.034 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CC1(C(N)=O)CCCC1)[C@@H]1CCS(=O)(=O)C1 1507626173 DGQWBBKENSZUOP-GOSISDBHSA-N 476.002 2.271 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCc1ccc(C)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1507632076 JBOMPNDFTVCVIW-LEWJYISDSA-N 472.611 2.359 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1CC1(COC)CCC1)[C@@H]1CCS(=O)(=O)C1 1507637200 ABKVXXRZBDDSFZ-GOSISDBHSA-N 476.574 2.440 30 10 JEEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1Cc1csc(C)c1)[C@H]1CCS(=O)(=O)C1 1507640619 URXKPQXFWXZIKB-KRWDZBQOSA-N 489.648 2.315 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H](C(C)C)N1CCOCC1 1507681333 WEWBPHYIVLBTRN-OAQYLSRUSA-N 459.616 2.165 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1Cc1ccc(C)cc1N1CCOCC1 1507710350 FICIWZQRHMHBMV-QFIPXVFZSA-N 453.587 2.451 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Cl)c3)n2CC2([S@@](C)=O)CC2)CC1 1507734214 JACQZMDGSZKXBC-WJOKGBTCSA-N 460.003 2.475 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCCS(=O)(=O)c2ccccc2)CC1 1507739657 SSVLOTIHDCSGAG-QFIPXVFZSA-N 499.637 2.350 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CCOC)C(=O)C1 1507793554 BFBJPHYPQUSWJQ-NQIIRXRSSA-N 470.530 2.130 30 10 JEEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(c2ncccn2)CC1 1507830723 UQVSJVKNQNXJNF-GOSISDBHSA-N 470.578 2.279 30 10 JEEE C=CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1507942971 VKOAWBBWXLUDIZ-UHFFFAOYSA-N 496.660 2.436 30 10 JEEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(OC)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1508025976 RKDYWQZPXRGJIG-HSZRJFAPSA-N 472.567 2.331 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H](N2CCCC2=O)C1 1508097911 MGYNKOWTLUYMES-WAOWUJCRSA-N 458.607 2.090 30 10 JEEE C=CCOc1ccccc1Cn1c(N2CC[C@H](S(C)(=O)=O)C2)nnc1[C@@]1(OCC)CCOC1 1508110249 YZFVHTSHUADCRX-WMZHIEFXSA-N 476.599 2.167 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccc(CN(C)C)c2)C1 1508122125 CITOZMMNONBKTI-SFTDATJTSA-N 459.616 2.071 30 10 JEEE C=CCSCCn1c(Cc2cccnc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1508162215 LWDUYLMSPCUPKX-UHFFFAOYSA-N 463.615 2.423 30 10 JEEE CC(C)NS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(c2ccccc2C#N)CC1 1509784161 GFNAJOABLKOZIX-UHFFFAOYSA-N 457.604 2.072 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc(C)o3)n2C[C@@H]2CCS(=O)(=O)C2)c1 1539040625 ZECCGLXMPVEOMV-SFHVURJKSA-N 467.551 2.337 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1cccc(C(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 1539222293 VCROMMCFXOXGGA-SJLPKXTDSA-N 468.501 2.476 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H]1CCOc2ccccc21 1539370302 UMPQMCIIGQPYKC-NQIIRXRSSA-N 473.599 2.027 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H](C)COC)CC1 1539470059 JESBYYBGBQUHIF-KRWDZBQOSA-N 455.559 2.211 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[C@@H](C)N(C)Cc2ccccc2)CC1 1539477728 WVYLGWJQXNBICP-NFBKMPQASA-N 491.640 2.106 30 10 JEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1539744383 KETHLZOMRLPENG-LJQANCHMSA-N 453.522 2.159 30 10 JEEE C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1539963363 SATHJPAGQUNMTL-QHAWAJNXSA-N 471.650 2.212 30 10 JEEE C=CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCN1CCOC(C)(C)C1 1540069204 LFIMPTOSMRIVLR-UHFFFAOYSA-N 451.575 2.408 30 10 JEEE C[C@@H]1OCC[C@@]12CN(c1nnc(-c3ccc(C#N)cc3)n1CCCS(C)(=O)=O)C[C@@H](C)O2 1544721937 DHIROVGNQDKCLL-HYFFOGBASA-N 459.572 2.024 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2CC2(C(=O)N(C)C)CCCC2)c1 1587689088 APEXTQOPNWGDAZ-UHFFFAOYSA-N 486.580 2.440 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1cccc(CN(C)C)c1)[C@H]1CCS(=O)(=O)C1 1588045618 NLIPDRKYOBSVLM-NRFANRHFSA-N 464.595 2.077 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(C(=O)N3CCCC3)n2CC2(O)CCCCCC2)n1 1588695847 IUMNPIDXNMMOSM-UHFFFAOYSA-N 483.617 2.082 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ccc(OCCO)c(OC)c2)CC1 1588877035 SFNXNVSXXRSTDE-ZJSXRUAMSA-N 497.640 2.380 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CCN(C)Cc2ccccc2)CC1 1588954629 JHRINPOOCPQTHM-UHFFFAOYSA-N 471.609 2.362 30 10 JEEE C=C(Br)Cn1c(-c2cccc(OC)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1589317634 SLLXRZDGLALBKY-GDBMZVCRSA-N 451.321 2.223 30 10 JEEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 1593690768 OVSRGCDUDYTEGK-UHFFFAOYSA-N 457.535 2.244 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1)C(C)C 1595165343 FWMCOEBWFGNNLJ-BHIFYINESA-N 483.661 2.175 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 1595831808 WSYCOARSRHNVGA-HXUWFJFHSA-N 479.578 2.205 30 10 JEEE C#CCN(CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1616158356 DSJOXCQEMKAKQY-IBGZPJMESA-N 454.552 2.035 30 10 JEEE COc1cccc([C@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)[C@@H](C)CC#N)N(C)C)c1 1619333720 GCNYWNHTKCJQHJ-HQRMLTQVSA-N 460.604 2.230 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CCN(c3cccc(Cl)c3)C2=O)s1 1630475882 POKNBBSHESPNEO-INIZCTEOSA-N 453.973 2.330 30 10 JEEE C=CCOc1c(Cl)cc(CN2CCN(S(=O)(=O)N=S(C)(C)=O)CC2)cc1OC 1659753418 FJSXYJPSRMLKND-UHFFFAOYSA-N 451.998 2.003 30 10 JEEE C#CC1(O)CCN(C(=O)N[C@H](CNS(=O)(=O)c2ccc(C)cc2C)c2ccccc2)CC1 1679643644 LKOORRIEJDDJLB-OAQYLSRUSA-N 455.580 2.493 30 10 JEEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1nncn1-c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1689980555 UKQFMGYDKFNSCU-PKOBYXMFSA-N 453.572 2.047 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCN(C)CCCC)[C@H]1CCS(=O)(=O)C1 1689982501 OVFSIHACTYSPIP-NRFANRHFSA-N 454.600 2.175 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCc1cc(C(F)(F)F)ccn1)[C@H]1CCS(=O)(=O)C1 1689991166 XLDLWKOWUCLCEF-APWZRJJASA-N 497.543 2.455 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1ccc(C(N)=O)nc1 1690075993 ZKLXSQYMCWHGDO-GOSISDBHSA-N 467.574 2.394 30 10 JEEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(CCOC)CC1 1690302682 JMWLGSXRBDNOQP-UHFFFAOYSA-N 453.385 2.397 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1690662326 ZGSVNKFRUGMIMV-LSDHHAIUSA-N 464.412 2.267 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1690684670 KZSLHQYHBHIYNN-ZVDOUQERSA-N 476.599 2.239 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1c1ccc(OC)cc1 1690724887 YDDQGPOCVITIAJ-UYAOXDASSA-N 494.639 2.131 30 10 JEEE C#CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1705529151 FSCBMDAZLQHLOM-SIKLNZKXSA-N 480.613 2.365 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCOc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1705567544 XKYHZGGWQHOQOD-MJGOQNOKSA-N 462.547 2.017 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCOc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1705571794 IIFTVFKAIKXFES-AZUAARDMSA-N 462.547 2.365 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CCn1c(O)nc2ccccc21 1705588607 CKTZSWXVPGBTCR-UHFFFAOYSA-N 454.494 2.144 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1CC(=O)Nc1c(C)cccc1C 1705621996 UNLNPMPRJGUJBM-UHFFFAOYSA-N 461.526 2.267 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccc(-n2cncn2)nc1 1705622198 AKAAKQLBWGEZQA-UHFFFAOYSA-N 482.346 2.146 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2Cc2cccnc2OCCOC)CC1 1705634513 ZEBIUXRZFRCHST-UHFFFAOYSA-N 462.554 2.177 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2Cc2cc(F)ccc2OC)CC1 1705650642 WCAZIALKQDUCMO-UHFFFAOYSA-N 462.529 2.426 30 10 JEEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N(C)Cc1cccc(C(N)=O)c1 1705658855 CJHYGUWAHSOFQF-UHFFFAOYSA-N 452.540 2.108 30 10 JEEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1705660489 WPWZVKNQODFUKM-IEBWSBKVSA-N 452.588 2.263 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CC(=O)N(c2ccccc2)C1 1705709849 FHQAUOGPJMQPAS-ZWKOTPCHSA-N 460.604 2.344 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@]1(O)CCS(=O)(=O)C1 1705864373 ZNRHWAODVCOPBW-FGZHOGPDSA-N 496.655 2.122 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(Cc2cc(C)no2)CC1 1705905015 GMISUVKNYJBDCW-UHFFFAOYSA-N 469.977 2.443 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1705933044 SEACVOSCEWAEFE-IBGZPJMESA-N 488.589 2.404 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCN1CCOC[C@H]1C 1708260575 CGMWACWKZNVRFJ-DLBZAZTESA-N 459.982 2.321 30 10 JEEE CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)c2ccco2)CCN1CCOC 1709335134 GAJFOVTVAUKMNZ-OAQYLSRUSA-N 477.569 2.387 30 10 JEEE CN(CC(=O)N1CCOCC1)c1nnc(COc2ccc(C#N)cc2)n1CCC[C@H]1CCCCO1 1711050004 FYUMQUKBZQJHDR-OAQYLSRUSA-N 482.585 2.373 30 10 JEEE CNC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCc2cnn(C)c2)C1 1711347591 CAMNADKXNSENCW-HXUWFJFHSA-N 462.558 2.057 30 10 JEEE CO[C@@H]1CCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1712041908 GZCBMJFBYMDTHE-FCHUYYIVSA-N 465.602 2.278 30 10 JEEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCOCC2(C)C)C[C@@H](C)O1 1712283567 GFKMUJNMCMJWJG-NQIIRXRSSA-N 454.575 2.168 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1722284997 ROANGQWJYJOUPF-WXVFVKJXSA-N 461.526 2.132 30 10 JEEE C#CCCCn1c(-c2ccccc2OC)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1722329461 AORJKKDSOZLZQV-DENIHFKCSA-N 450.587 2.356 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CCCN1CC 1722395290 XSNUMSXEVUZGLR-FQEVSTJZSA-N 467.643 2.494 30 10 JEEE C#CCN(CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCN/C(O)=C1/N=CC=CC1=O 1722407153 ZYCQCNQLYLMLQA-LNVKXUELSA-N 456.510 2.321 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC(C)(C)OCC)CC1 1722436760 FBMUOQATFHMILP-LJQANCHMSA-N 476.622 2.157 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCC(=O)NC(C)(C)C)CC1 1722443159 OHPCLQKZMNFSFV-UHFFFAOYSA-N 471.993 2.264 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](c2ccco2)N(CC)CC)CC1 1722445754 BLIUKXHONREXFV-NRFANRHFSA-N 478.601 2.321 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@](C)(O)c2ccc(F)cc2)CC1 1722448725 GGDJYFUGGQGIGW-SANMLTNESA-N 476.556 2.277 30 10 JEEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1722453843 DRKDTZBWYTUMOR-PGRDOPGGSA-N 497.625 2.209 30 10 JEEE C=C(C)COCCn1c(Cc2ccccc2OC)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1722534829 XHMISCWSAGEAPO-JOCHJYFZSA-N 469.586 2.298 30 10 JEEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCOC[C@@H]1OC 1722640174 JRLSGYJXZRMMPA-SQNIBIBYSA-N 451.568 2.260 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCO[C@H](c2nccs2)C1 1722706461 SSPSUTKDWJYZRA-SFHVURJKSA-N 470.555 2.202 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1722722348 NEKRTEKLKCITOY-PXNSSMCTSA-N 479.578 2.059 30 10 JEEE CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@](C)(O)c1ccco1)[C@@H]1CCS(=O)(=O)C1 1728297393 HZGRKCQWICKVRT-XMSQKQJNSA-N 455.540 2.331 30 10 JEEE CCN1CCN(C[C@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](NC(C)=O)C2)CC1 1728628495 CZCOKSQILKUEDJ-GBXCKJPGSA-N 478.645 2.195 30 10 JEEE CNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@@H](C)N2CCCCC2)CC1 1729733437 GHXBLEYABZZOBD-HXUWFJFHSA-N 480.617 2.455 30 10 JEEE C#CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1CCCNS(=O)(=O)CC 1740605514 VXFVRBXDHNKYKY-UHFFFAOYSA-N 454.394 2.415 30 10 JEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1nnc2n1CCCCC2 1740611127 USBYZFZIQSFIKW-SFHVURJKSA-N 484.605 2.217 30 10 JEEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1cccc(CN2CCOCC2)c1)[C@H]1CCS(=O)(=O)C1 1740616647 DTZBZLPBVYDUPC-REWPJTCUSA-N 485.654 2.299 30 10 JEEE C#CCN(c1nnc(C(C)C)n1Cc1ccnc(OCC(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 1740617329 PPUIXGREPHUJKE-MRXNPFEDSA-N 471.505 2.413 30 10 JEEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCC1(C)CC1)[C@H]1CCS(=O)(=O)C1 1740618437 HNMHQUCQWVTBRK-SFHVURJKSA-N 476.624 2.166 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H](OC)c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1740620571 FCLMXDUQZPBWFG-PZJWPPBQSA-N 469.542 2.494 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1Cc1nnc(CC)s1)[C@H]1CCS(=O)(=O)C1 1740622017 SDBMSTBHZJCDDB-HNNXBMFYSA-N 472.596 2.043 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCC(=O)N2CCOCC2)CC1 1740692501 WSXFQMRGWIXJTA-UHFFFAOYSA-N 477.396 2.256 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(OCC(C)C)cc2)CC1 1740695811 DVNYWJNRNBJFPU-OAQYLSRUSA-N 471.627 2.019 30 10 JEEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2Cc2conc2COC)CC1 1740699372 DCIIYWYPEUEAQN-UHFFFAOYSA-N 450.543 2.412 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCCN2CCOCC2)CC1 1740702585 SQGRCCANKPXEHA-FQEVSTJZSA-N 498.603 2.245 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CCN(CC)C(=O)OC(C)(C)C)CC1 1740708442 PPPLATYXEZIQOH-UHFFFAOYSA-N 458.607 2.453 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CN(Cc2ccccc2)CCO1 1740774156 NASUKQHZXAWOHO-FGZHOGPDSA-N 473.643 2.484 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCCOC2)n1CCN1CCCS1(=O)=O 1740913527 DJKCDUHBVIFHQR-HXUWFJFHSA-N 475.615 2.409 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)[C@H]1CCSC1 1740988462 FIKRLESPBUKUDB-INIZCTEOSA-N 450.586 2.259 30 10 JEEE CCn1nc(-c2nnc(N(C)C[C@@H](C)C#N)n2C[C@@H]2CCCN2CCCO)c2ccccc2c1=O 1746469912 AFBMEGMFMURJPV-OALUTQOASA-N 478.601 2.118 30 10 JEEE C#CCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1748752235 STBDXYNAYCXNCP-QFIPXVFZSA-N 466.586 2.194 30 10 JEEE C#CCN(c1nnc(C2CCC2)n1Cc1ccc(C[S@@](C)=O)cc1)[C@H]1CCS(=O)(=O)C1 1748816286 YOAQULGHZBKICV-WENCNXQZSA-N 460.625 2.099 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1748825173 WEXUJVISGMJJEF-HXUWFJFHSA-N 458.584 2.219 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1c(CC)noc1C 1748951165 UMXILWAMGYTGAO-UHFFFAOYSA-N 457.556 2.342 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@@H](C)CNC(=O)OC(C)(C)C)CC1 1749011202 YPBAILMWCJULMM-SFHVURJKSA-N 483.617 2.410 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2CCO[C@H]2C(C)C)CC1 1749015796 NUJVPDZNJLFUEB-GMAHTHKFSA-N 467.618 2.167 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(F)c(OC)c2)CC1 1749037289 DDMAVVQJKHUTCJ-KRWDZBQOSA-N 493.630 2.021 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)CC)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1749118689 IOCZEYAYGMGJJB-AABGKKOBSA-N 458.607 2.044 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1749143727 LIPGDRCLFCVZQU-FGTMMUONSA-N 456.657 2.179 30 10 JEEE C=CCCOCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](COC)C1 1749457534 MRYPWKSUKMCVIR-RTBURBONSA-N 481.594 2.031 30 10 JEEE C=CCOc1ccccc1Cn1c(N2CCN(C(=O)CN3CCOCC3)CC2)nnc1C(C)(C)C 1749690607 ZCNDLUDJBUSBKZ-UHFFFAOYSA-N 482.629 2.170 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1749726937 KFBBEMHYKQLONY-KRWDZBQOSA-N 481.022 2.335 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1749731300 AYDHIQMVSGVCRR-UHFFFAOYSA-N 456.634 2.084 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CC[C@@]3(CCSC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1749740336 USGMZQMTCRPVQM-NHCUHLMSSA-N 470.661 2.253 30 10 JEEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cc(F)ccc2F)CC1 1749745009 SZSXAQKPKKZLLW-OAHLLOKOSA-N 486.614 2.412 30 10 JEEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(Cc2ccccc2F)n1CCCC(=O)N(C)C 1752279830 ADSLCQCZDRIXHZ-SFHVURJKSA-N 491.575 2.253 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1CCN1CCN(C(C)=O)CC1 1760103182 ZXRDAVUBBDWWPK-OAHLLOKOSA-N 477.382 2.469 30 10 JEEE C#C[C@H](C)N(C)c1nnc(Cc2csc(C)n2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1760119287 XCTNIEWDTLGKIV-HNNXBMFYSA-N 455.588 2.346 30 10 JEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@]1(C)CCO[C@H]1C1CC1 1760172956 DXAQOIAJRRISHR-NZQKXSOJSA-N 457.600 2.470 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCCO[C@@H]1C(C)C)[C@@H]1CCS(=O)(=O)C1 1760180810 LHTCQEWLVUXODS-BLRYILKCSA-N 494.658 2.008 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@@H](CC)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1760183748 DIKJIFSHNHYPTN-UXHICEINSA-N 471.627 2.455 30 10 JEEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1C[C@@H]1CCO[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1760191566 JQGLGEKHPHHQFO-AQNXPRMDSA-N 488.610 2.308 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](CC)NC(=O)OC(C)(C)C 1760193729 OEIHIXJDFVDSAK-KRWDZBQOSA-N 451.531 2.302 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 1760232543 ANBROWHATLECOM-XHSDSOJGSA-N 463.526 2.364 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC2(S(C)(=O)=O)CCC2)CC1 1760257162 QFZMBNNWVANRHV-GOSISDBHSA-N 475.590 2.280 30 10 JEEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1760262016 YEFOPFCZXZYFIS-NRFANRHFSA-N 450.587 2.144 30 10 JEEE C=C(C)COCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCO[C@H](C(=O)NC)C1 1760355865 YUCFJIDECRJHJU-FQEVSTJZSA-N 452.515 2.144 30 10 JEEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCN1CCOC1=O 1760463689 MJYJHUDIDUHIFX-INIZCTEOSA-N 450.540 2.051 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N(C)CCN1CCN(c2ccccc2)CC1 1760524044 ODFUPJAHGQEZPT-QFIPXVFZSA-N 467.618 2.080 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N(C)C[C@@H]1CCOC1 1760551219 XNXQRGMAQZDQOD-AWEZNQCLSA-N 472.409 2.120 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 1760554410 CSWUTISNMOQUOQ-UHFFFAOYSA-N 463.579 2.065 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 1761477384 CXGMHBAPIIMRLR-AEFFLSMTSA-N 495.650 2.275 30 10 JEEE CN(C)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1)C1CCCCC1 1766893813 HLRGLYRYNBOAAY-OPYAIIAOSA-N 452.600 2.133 30 10 JEEE CN(CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1)C(=O)OC(C)(C)C 1768885277 FZCPMXRLJLMYAK-UHFFFAOYSA-N 453.547 2.400 30 10 JEEE COc1ccc(CCc2nnc(N3CC[C@@](F)(C#N)C3)n2CC(=O)NCC(F)(F)F)cc1 1770127251 DFIZDCNXAXIJAJ-LJQANCHMSA-N 454.428 2.192 30 10 JEEE CS(=O)(=O)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1771354775 HVPFHGXCRDRFTC-OALUTQOASA-N 459.572 2.026 30 10 JEEE CC1=C(/C=C/C(C)=C\C=C/C(C)=C/C(=O)O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)CCC1=O 1848438139 SIKFAVWPHMSCBL-ZUFGUWQKSA-N 490.549 2.132 30 10 JEEE C[C@@H]1CCc2c(sc(NC(=O)COc3cccnc3NC(=O)NN3CCN(C)CC3)c2C#N)C1 1858794933 XPHRKBNQRDVGON-OAHLLOKOSA-N 483.598 2.441 30 10 JEEE C#CCOC(=O)NS(=O)(=O)c1ccc(CNC(=O)c2cc(OCC)cc(OCC)c2)cc1 1858965871 ZLNOAHJULZWAOE-UHFFFAOYSA-N 460.508 2.462 30 10 JEEE C=CCOc1ccccc1[C@@H]1C(C(=O)NCCNC(C)=O)=C(N)Oc2c1c(C)nn2-c1ccccn1 1864319255 QCAUAVZXYGSYPX-QFIPXVFZSA-N 488.548 2.087 30 10 JEEE CC(=O)N1CCN(Cc2cc(=O)c(OCc3ccc(C#N)cc3)cn2C[C@H]2CCCO2)CC1 1870348662 HDPWYCDYGOTZGT-HSZRJFAPSA-N 450.539 2.142 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)Nc2ccc(OC)cc2)cn1CCOCCO 1870738471 MEKLBBWSOAUXNG-UHFFFAOYSA-N 471.554 2.057 30 10 JEEE CN1CCN(CC#CCOC2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)CC1 1889596730 DMNGLSSIKHQVBI-UHFFFAOYSA-N 459.534 2.126 30 10 JEEE CN(C1CN(c2nccnc2C#N)C1)S(=O)(=O)c1ccc(Br)cc1Br 1891578167 YYSVPRPQZUESJI-UHFFFAOYSA-N 487.177 2.383 30 10 JEEE C#CCN(C(=O)C1(NC(=O)OC(C)(C)C)CC(O)C1)C1CCN(C(=O)OC(C)(C)C)CC1 2073271847 RHRBPMQVSNDQHU-UHFFFAOYSA-N 451.564 2.266 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@](CO)(C(=O)NCc2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2180981161 QMBPCLPOZZTIRA-XMMPIXPASA-N 460.380 2.222 30 10 JEEE 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 2223101094 YMGOCOYIDLYOCQ-MDMSPXHWSA-N 453.580 2.436 30 10 JEEE CC1(C)OB(c2sccc2CS(=O)(=O)N(CC(=O)O)Cc2ccccc2)OC1(C)C 2248582531 ITSRKXJKOYHANO-UHFFFAOYSA-N 451.375 2.464 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCCN(C)C(=O)OC(C)(C)C 2255932300 AHEAEGUZHXRLCV-UHFFFAOYSA-N 454.398 2.439 30 10 JEEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@@]23C[C@H]2CN(Cc2ccccc2)C3)OC1(C)C 2267469215 RSZJMTGTQRELSJ-HTAPYJJXSA-N 475.445 2.136 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@](C)(NS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267704093 HYJXJWJRNDXGSQ-NRFANRHFSA-N 467.397 2.059 30 10 JEEE C[C@@H]1C[C@H](NS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)CN1C(=O)OC(C)(C)C 2267707466 RENVGHNYZCUIQI-KGLIPLIRSA-N 487.453 2.260 30 10 JEEE Cc1[nH][nH]c(=NC(=O)OC(C)(C)C)c1C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2268602435 JPSOVXPQZNRHNY-UHFFFAOYSA-N 463.369 2.173 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1)[C@@H]1CCCO1 2268698557 BMNOUAOUKGUYMN-LSDHHAIUSA-N 467.397 2.131 30 10 JEEE CC(C)(C)OC(=O)NC1(C(=O)NCc2cc(B3OC(C)(C)C(C)(C)O3)ccc2F)COC1 2268716138 MGFUBGCWNSKIGQ-UHFFFAOYSA-N 450.316 2.035 30 10 JEEE COc1ccc(CNC(=O)CN(OC)C(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2278701304 IUKUAMMUWKRDPQ-UHFFFAOYSA-N 450.341 2.409 30 10 JEEE CC(C)(C)OC(=O)N1[C@H](CNC(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)C[C@@H]2COC[C@H]21 2281825420 SEEAIIOONMMKII-HYVNUMGLSA-N 462.352 2.333 30 10 JEEE Cn1nc(C(=O)NC2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)cc1B1OC(C)(C)C(C)(C)O1 2281961759 QLZJAQDVIJBTEU-GJZGRUSLSA-N 460.384 2.095 30 10 JEEE Cc1nn(C)c(C(=O)N2CC(CCCNC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2281989066 UXKDYSRJWYBBJF-UHFFFAOYSA-N 462.400 2.405 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C1 2282005419 PMMPEBDAHFKNGU-ZBFHGGJFSA-N 462.400 2.403 30 10 JEEE CC1(C)OB(c2nscc2C(=O)NC[C@@]23CN(Cc4ccccc4)C[C@@H]2CCO3)OC1(C)C 2282006534 VTERNJDGZQCJOP-MHECFPHRSA-N 469.416 2.463 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CN(C(=O)c2occc2B2OC(C)(C)C(C)(C)O2)[C@]2(CCOC2)C1 2282034850 NNAXJQGVTDIGJX-IQMFZBJNSA-N 462.352 2.477 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@@H]3CCN(C(=O)OC(C)(C)C)[C@H]3C2)n1 2282043843 PTWKXCGRYGXTRH-WBVHZDCISA-N 460.384 2.191 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1O 2282136182 OPGIKBYXYPIMQI-OALUTQOASA-N 460.380 2.394 30 10 JEEE CN(C[C@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cn2C)CCO1)C(=O)OC(C)(C)C 2282191672 YAAFXGGWUFWANY-KRWDZBQOSA-N 463.384 2.032 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@H]2CCN(C(=O)c3coc(B4OC(C)(C)C(C)(C)O4)c3)C[C@@H]21 2282531918 POTLKZDLZXDJQE-IRXDYDNUSA-N 462.352 2.429 30 10 JEEE Cn1cc(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 2282553888 VOFGHSRPVSRGDG-YQQAZPJKSA-N 460.384 2.095 30 10 JEEE Cn1cc(C(=O)N2CC[C@H](C3CN(C(=O)OC(C)(C)C)C3)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2282578206 ORIWAYOBOGTOCL-HNNXBMFYSA-N 460.384 2.048 30 10 JEEE Cc1c(C(=O)N[C@@]23CCN(C(=O)OC(C)(C)C)C[C@@H]2C3)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282581921 OVECYKLDPFJOCU-NPMXOYFQSA-N 460.384 2.157 30 10 JEEE Cc1c(C(=O)N2[C@H]3CC[C@H]2CN(C(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282593038 LJYMXAYSJLYPOM-HOTGVXAUSA-N 460.384 2.252 30 10 JEEE CC(C)(C)OC(=O)N1CC(C)(C)OC[C@H]1CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2282634171 IQYLXSBCRPIXKZ-MRXNPFEDSA-N 463.384 2.458 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2CO)c1 2282682610 QSSKPSUGBREXKD-LJQANCHMSA-N 460.380 2.348 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@@H]1C 2282687887 MGBVGBOPVFWNEW-ZFWWWQNUSA-N 457.302 2.479 30 10 JEEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)Nc1ccccc1NC(=O)OC(C)(C)C 2282836057 FFBKRMAYDIYNBV-UHFFFAOYSA-N 479.368 2.262 30 10 JEEE CN(Cc1nccn1Cc1ccccc1)S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282864977 NPEHJCKHWCHXSC-UHFFFAOYSA-N 468.388 2.446 30 10 JEEE C[C@@H]1CN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)CC[C@@H]1NC(=O)C(F)(F)F 2282878749 KIHSAANGBQSWBG-OCCSQVGLSA-N 496.382 2.266 30 10 JEEE Cc1nc(NC(=O)[C@@H]2CO[C@H](C)CN2C(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2283953940 ZLFRTUNSKKIAER-CJNGLKHVSA-N 462.356 2.047 30 10 JEEE COC[C@@]1(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)s2)CN(C(=O)OC(C)(C)C)CCO1 2283954924 IJGVDENEGKTBIF-OAQYLSRUSA-N 483.396 2.033 30 10 JEEE Cn1ncc(CNC(=O)OC(C)(C)C)c1C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2283977983 WZTKVQDRJVPDHY-UHFFFAOYSA-N 477.396 2.131 30 10 JEEE C[C@H](O)CN(CCNC(=O)OC(C)(C)C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1O 2285346812 FSQFMAKAPYAYIR-HNNXBMFYSA-N 464.368 2.039 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N(CCNC(=O)OC(C)(C)C)C[C@H](C)O 2285347377 LDDGMSFTGLRPLF-INIZCTEOSA-N 465.400 2.155 30 10 JEEE CO[C@@H](CNC(=O)OC(C)(C)C)C(=O)NCCc1c(F)cccc1B1OC(C)(C)C(C)(C)O1 2289646364 OZUMHOQGFYEUTQ-SFHVURJKSA-N 466.359 2.323 30 10 JEEE CCOCCCN1C(=O)C(=Cc2c(C)c(C#N)c(=O)n(C)c2N2CCOCC2)SC1=S 2314435863 ZJJCWVHOTBEGIF-UHFFFAOYSA-N 462.597 2.030 30 10 JEEE CC#CCN(CC(=O)NC[C@H](C)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1)C(=O)OC(C)(C)C 2316016997 QASWECPUTNGCKV-GAJHUEQPSA-N 453.580 2.371 30 10 JEEE Cc1nn(C)c(C(=O)N[C@H]2C[C@@H]3[C@H]2CCN3C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2359267998 NUSQGLSWAMSQSB-HRCADAONSA-N 460.384 2.155 30 10 JEEE Cn1cc(C(=O)N[C@H]2C[C@@H]3C[C@H](NC(=O)OC(C)(C)C)[C@@H]3C2)nc1B1OC(C)(C)C(C)(C)O1 2359268479 QNYJYYKZLXRDKY-QXSJWSMHSA-N 460.384 2.141 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(=NC[C@@H](C)N2CCN(C(=O)OC(C)(C)C)CC2)[nH]1 2362166408 PIPORTSTWWRJQS-GOSISDBHSA-N 460.428 2.464 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC(F)(F)C[C@H]1CNC(=O)OC(C)(C)C 2362344536 SRBLKNUDDFVTIX-ZDUSSCGKSA-N 470.326 2.094 30 10 JEEE N#CCCN(CCC#N)C(=O)CSc1nnc(SCC(=O)N(CCC#N)CCC#N)s1 20157068 AUPSOTPGTAGXAF-UHFFFAOYSA-N 476.613 2.034 30 10 JEEE N#CCCNS(=O)(=O)c1ccc(C(=O)NCc2cn3cc(Br)ccc3n2)cc1 108668785 RHGUNAOAARSMJX-UHFFFAOYSA-N 462.329 2.219 30 10 JEEE CC1CCC(C#N)(N(C)C(=O)[C@@H](C)Sc2nnc(C[C@@H]3CCS(=O)(=O)C3)n2C)CC1 480851988 BIEVXPSGQQZOBV-SIRSKZSMSA-N 453.634 2.204 30 10 JEEE C#CCN(C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc32)c1)[C@@H]1CCS(=O)(=O)C1 729332570 ZWEHQNUSOFREQI-GOSISDBHSA-N 493.006 2.354 30 10 JEEE CC(C)Cn1c(=C(C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)sc(=Cc2cnn3ccccc23)c1=O 729671994 SKTXNCVXWUKWRK-FXAWDEMLSA-N 463.607 2.411 30 10 JEEE CC1CCC(C#N)(N(C)C(=O)[C@H](C)OC(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)CC1 912770622 DBNBMNLFDXYOEY-RBUUBBAASA-N 466.538 2.242 30 10 JEEE COc1ccc(C(C)=NNc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2N)cc1 1084599832 WIERAJSJBHGARU-UHFFFAOYSA-N 456.488 2.476 30 10 JEEE N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)CN1CC(=O)N(CC(F)(F)F)C1)CCCC2 1170013267 CORRXERIGFTXKH-AWEZNQCLSA-N 453.465 2.020 30 10 JEEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1286314853 SGMTYZYWDFJACM-UHFFFAOYSA-N 459.558 2.462 30 10 JEEE C#CCCCn1c(N(CC)[C@@H]2CCS(=O)(=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1286361022 YGRDLAFRASSFDT-FGTMMUONSA-N 465.620 2.476 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCOc2cc(C)cc(C)c2)CC1 1286490616 NQDIKVHOHBWIMX-UHFFFAOYSA-N 459.554 2.397 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CC2CCC(OC)CC2)CC1 1286491260 KUIFEBQISRHMFM-UHFFFAOYSA-N 450.587 2.435 30 10 JEEE C#CCSCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCN(C(C)=O)C[C@H]1C 1286505162 VXOIMJGIIQRFPR-GOSISDBHSA-N 493.637 2.488 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H]1CCN(Cc2ccccc2)C1 1286509724 XFARJPQODWQXRU-NHCUHLMSSA-N 473.668 2.257 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC[C@@H](NC(C)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1286562301 JZTQBLSYYZVATL-YOEKFXIASA-N 461.607 2.405 30 10 JEEE C=C(Cl)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC(C(=O)NC)CC1 1286626675 FRQITWUMRRKFHJ-UHFFFAOYSA-N 455.950 2.390 30 10 JEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@](C)(O)c1ccccc1)C1CC1 1286737422 LYBFCKRLYGLFPD-OFNKIYASSA-N 475.615 2.064 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1286780347 NHTYERZOXGYDLJ-WMZHIEFXSA-N 457.600 2.137 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N(C)[C@H](C)CS(C)(=O)=O 1286780676 YKFQEQKYGUWSSM-GFCCVEGCSA-N 488.383 2.018 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1286821799 ATTXQKVMLJGLSC-HNNXBMFYSA-N 491.561 2.036 30 10 JEEE N#Cc1ccc(N2C[C@@H](C(=O)NCc3ccc(C(=O)NCCN4CCCC4)cc3)CC2=O)cc1 1293557892 CYAWOKOEYJMHJS-QFIPXVFZSA-N 459.550 2.053 30 10 JEEE C#CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1300407615 BJFZOZQWYISNEV-RTBURBONSA-N 494.662 2.324 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCNC(=O)C1CC1)[C@H]1CCS(=O)(=O)C1 1300481886 CFSWJZKDOORKHF-CTNGQTDRSA-N 499.637 2.188 30 10 JEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1C[C@]1(C)COCCO1)[C@H]1CCS(=O)(=O)C1 1300483978 QDTDNJCZHLACHB-GHTZIAJQSA-N 464.975 2.031 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H](C)c1ncc(C)s1)[C@H]1CCS(=O)(=O)C1 1300499548 UOXBOWXIVYDNFQ-APWZRJJASA-N 470.624 2.459 30 10 JEEE C#CCN(c1nnc(COCC)n1Cc1ccccc1Br)[C@@H]1CCS(=O)(=O)C1 1300504967 WSHLIGFTKFWDNM-MRXNPFEDSA-N 467.389 2.252 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H](C)Oc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1300506085 MDOVZFGMQKGVFH-KEZQHZCBSA-N 488.610 2.096 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@](O)(c1ccccc1)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1300506590 VVJYQRDGTKTXIM-DBXWQHBBSA-N 498.527 2.206 30 10 JEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCN1CCC[C@@H](C)C1 1300512424 JJCOTMCVTKLBQL-LJQANCHMSA-N 467.643 2.351 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(OCC)c(OC)c2)n1CC(=O)NCC(F)(F)F 1300569460 LVSOGBULVCLVCO-UHFFFAOYSA-N 463.460 2.494 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1([S@@](C)=O)CC1 1300676054 KVAIOSUNLASRAL-CFXYEOBUSA-N 465.620 2.046 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4ccccc4n3)n2CC[S@@](=O)CC)CC1 1300718901 IHVBOHKWUVKUSB-XIFFEERXSA-N 464.595 2.228 30 10 JEEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1301509284 FNWHAIUXJKKDDX-JOCHJYFZSA-N 462.602 2.490 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@]2(OC)CCOC2)C1 1301535952 PYYJIXKTJFBOMU-XXBNENTESA-N 475.977 2.448 30 10 JEEE N#Cc1ccc(OCc2nnc(N3CCC[C@H](C(N)=O)C3)n2C[C@@H]2CCN(CC(F)(F)F)C2)cc1 1302993867 HFIWTVIFKRFAPS-MSOLQXFVSA-N 491.518 2.315 30 10 JEEE CC[C@H](C)NC(=O)c1cccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@H](C#N)C2)c1 1305622725 IDTTVDRTUMZMCK-FXAWDEMLSA-N 488.552 2.231 30 10 JEEE N#C[C@@H]1CN(c2nnc(Cc3ccncc3)n2Cc2ccnc(OCC(F)(F)F)c2)CCO1 1316539542 DJVJWULHWAJELJ-QGZVFWFLSA-N 459.432 2.377 30 10 JEEE C#CCNC(=O)c1ccccc1NC(=O)CN1C(=O)N[C@](C)(c2ccc(F)c(Cl)c2)C1=O 1358442888 DBAVFXNEDFUQGH-JOCHJYFZSA-N 456.861 2.248 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CC1CCN(CCN(C)C)CC1 1358887357 VHZYFSSVFGZTMY-SFHVURJKSA-N 462.602 2.325 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1cccc(C(N)=O)c1 1358891016 YLZDBWGQZNRIKQ-FXAWDEMLSA-N 482.585 2.386 30 10 JEEE C#CCCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1358906824 ULQOYVGHWDVNCT-QGZVFWFLSA-N 462.572 2.398 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1N1CCCCC1 1359024811 WNLSCXKQEMJEHV-NRFANRHFSA-N 471.627 2.305 30 10 JEEE C#CCN1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2C[C@@H](OC)[C@H](C)CC)CC1 1359034479 RWJXBAHQGILJDW-WIYYLYMNSA-N 463.586 2.008 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC(=O)N(C)CC 1359072618 KTSUKJYYQVPFRF-AREMUKBSSA-N 463.630 2.113 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1359292544 RUZRSGXKYZENPS-IVZQSRNASA-N 474.949 2.405 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 1359293858 BVQVQVYRYQAJFU-UHFFFAOYSA-N 495.565 2.488 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1359295984 SUKSQKYZWAEONU-HNNXBMFYSA-N 456.938 2.446 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC(NC(=O)c2ccc(C)s2)CC1 1359298307 VAJCNJMFYMMVDK-UHFFFAOYSA-N 465.583 2.411 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccnc(N3CCCCC3)c2)C1 1359313265 JKVUWVYAHPOEQN-ICSRJNTNSA-N 489.646 2.103 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCC2=CCCCC2)C1 1359321858 MUYDIQFXIXDKTD-VQTJNVASSA-N 465.620 2.283 30 10 JEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC(c2ccc(OC)cc2)CC1 1359334766 QFWBHDWDLPBTGI-UHFFFAOYSA-N 487.626 2.394 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCN(C)CC(F)(F)F 1360469569 DXOQLSRYPSOHQR-HNNXBMFYSA-N 487.552 2.428 30 10 JEEE C=CCc1cc(C(=O)NC2CCN(S(=O)(=O)C3CCOCC3)CC2)cc(OC)c1OC 1360501744 MBJINENSLTYVNA-UHFFFAOYSA-N 452.573 2.135 30 10 JEEE C[C@]1(C#N)CCCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)N2CCSCC2)C1 1360783210 FPAPRQUKDJUDSF-JOCHJYFZSA-N 485.639 2.325 30 10 JEEE C=CCN1CC[C@H](N(C)CC(=O)Nc2ccccc2C(=O)Nc2ccc3c(c2)OCO3)C1=O 1460020687 SSXKOLPFMTZJGE-IBGZPJMESA-N 450.495 2.325 30 10 JEEE CCS(=O)(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(OC)CCOC2)CC1 1503230805 BYOOXCNKSBEKJP-QFIPXVFZSA-N 459.572 2.026 30 10 JEEE COc1cc(Cl)ccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1CCCS(=O)(=O)C1 1504109173 HOJYQPKRTXRZGN-ZBFHGGJFSA-N 465.963 2.161 30 10 JEEE C#CCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1(NC(=O)OC(C)(C)C)COC1 1507611478 LXPWOUACWAHKQT-UHFFFAOYSA-N 455.515 2.079 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCC1CCOCC1 1507644561 JWKHVZXUJRCWCM-UHFFFAOYSA-N 469.611 2.475 30 10 JEEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1507747475 KLUMPIIAQRTTGH-KRWDZBQOSA-N 464.613 2.342 30 10 JEEE C#CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1507748407 QRFSRXVUGIACGP-UHFFFAOYSA-N 491.639 2.291 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(CCN2[C@@H](C)CC[C@H]2C)CC1 1508078543 CXCCFZZOCPBEAF-OYRHEFFESA-N 481.645 2.251 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(Cl)s2)C1 1508129042 ZTQPPBDYCVGDHM-GOEBONIOSA-N 488.035 2.156 30 10 JEEE CC(C)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1)N1CCCC1 1508849437 DVNLJFBVTYDPOU-JOCHJYFZSA-N 465.602 2.232 30 10 JEEE Cc1ccc(OCCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@](C)(C#N)C2)cc1 1511024377 AVZDTCASCIQVLZ-NFBKMPQASA-N 488.614 2.129 30 10 JEEE Cc1cnn(CCn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CCO[C@@H](C#N)C2)c1 1511419250 HZMVWCSCMYXXLH-MOPGFXCFSA-N 470.578 2.327 30 10 JEEE C=CCn1c(SCC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)nnc1-c1ccc(Cl)cc1 1536180702 UUSVRESOAOPYKT-YWZLYKJASA-N 477.999 2.273 30 10 JEEE C#CCOCCNC(=O)c1ccc(I)c(I)c1 1536687634 YLMNHLFTCYNLLF-UHFFFAOYSA-N 455.033 2.275 30 10 JEEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](CN2CCOCC2)C1 1539124236 CQWVERNBEPZRAM-LEWJYISDSA-N 488.633 2.158 30 10 JEEE C#CCN(c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCC=C)[C@@H]1CCS(=O)(=O)C1 1539218606 BFHMZHVEBPJMQC-RTBURBONSA-N 493.630 2.179 30 10 JEEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1ccc(-n2ccnc2C)c(F)c1 1539421373 QETVXAASTXKNME-UHFFFAOYSA-N 465.533 2.168 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCCN1CCC 1539669814 VBDBCGJFSHRHIR-WOJBJXKFSA-N 468.668 2.278 30 10 JEEE C=C(C)COCCn1c([C@H]2CCCO2)nnc1N1C[C@@H](C(=O)OC)[C@H](CNC(=O)OC(C)(C)C)C1 1539759804 KYCHIFXPCBNGHM-GUDVDZBRSA-N 493.605 2.472 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1conc1COC 1540128115 IWQFSVMINMIFRY-LJQANCHMSA-N 482.566 2.427 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1540862195 VBEJIRAMLROMED-DFBJGRDBSA-N 482.585 2.224 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1540866250 IAWUKMQWVZRANV-DENIHFKCSA-N 485.585 2.427 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](C(=O)NCCC)C1 1540900221 OMBFAPFGFGJELV-KRWDZBQOSA-N 481.022 2.337 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2C[C@H]2CCCCS2(=O)=O)c1 1587697352 ONEKUXDNSLCCHB-WOJBJXKFSA-N 471.583 2.153 30 10 JEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1587823694 WDDCGHZQWOXEQZ-LJQANCHMSA-N 471.627 2.452 30 10 JEEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1ccc(-c2nc[nH]n2)cc1)[C@H]1CCS(=O)(=O)C1 1588028924 ARFFXYKUTQXGOJ-LPHOPBHVSA-N 453.572 2.252 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1CC(C)(C)COC)[C@@H]1CCS(=O)(=O)C1 1588045740 PTBKCFJZZTWNIN-GOSISDBHSA-N 474.583 2.016 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1CC(C)(C)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1588059442 OFCFVTYASUVPHP-KRWDZBQOSA-N 467.636 2.407 30 10 JEEE C#CCN(CC#CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1cccn(CC)c1=O 1588245505 GTHUKULBROVHDZ-UHFFFAOYSA-N 497.647 2.336 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(COCC(F)(F)F)cc2)CC1 1588733677 YIHLHCXQTGAYTF-UHFFFAOYSA-N 490.530 2.397 30 10 JEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCCN(c2ncccc2F)CC1 1589110066 PDTAIKNLHGYTHT-UHFFFAOYSA-N 457.579 2.018 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1589485388 YYKBFRNOQARABO-ZCNNSNEGSA-N 458.607 2.188 30 10 JEEE C=CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(C)=O)C[C@H]1C)c1ccccc1 1594536306 WARNQWFETXVUOL-DBXWQHBBSA-N 474.631 2.305 30 10 JEEE C=CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1595442506 PAILOHNBXZTKEH-UHFFFAOYSA-N 495.411 2.331 30 10 JEEE C=CCOc1ccc(Cn2c([C@H]3CCOC3)nnc2N2CCC[C@H](CNS(C)(=O)=O)C2)cc1 1595614561 XNGUEKCMTSPIHQ-UXHICEINSA-N 475.615 2.161 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCN2C[C@H](C)O[C@@H](C)C2)C1 1595674777 TZEXSONSOZIHKM-SLFFLAALSA-N 469.590 2.206 30 10 JEEE C=CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1595838716 YMIGWVXCCOYRHV-QGZVFWFLSA-N 484.047 2.404 30 10 JEEE COc1ccc(CCc2nnc(N3CCO[C@H](C#N)C3)n2CCN(C)CC(F)(F)F)cc1 1619239605 HWINSOTYMILRQL-GOSISDBHSA-N 452.481 2.295 30 10 JEEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(Br)c3ccccc23)CC1 1669705017 AGBVFNNJXRQCCT-UHFFFAOYSA-N 451.346 2.219 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2CSCCS2)c1 1689870181 DUTPGROSOFQPSB-ZWKOTPCHSA-N 470.624 2.134 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCn1cc(Br)cn1)[C@@H]1CCS(=O)(=O)C1 1689984000 JHZQRVQJDYGUEH-MRXNPFEDSA-N 493.387 2.132 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@@H]1CC(F)(F)CO1)[C@H]1CCS(=O)(=O)C1 1689992901 QVDSFXLIDMWJNB-IRXDYDNUSA-N 468.501 2.059 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1CC1CCN(C(=O)OC)CC1 1690098347 FJYHNEIDQWJAMN-UHFFFAOYSA-N 455.515 2.238 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@H](C)CN2CCOCC2)CC1 1690117792 WBACRZJOTZHLHS-GOSISDBHSA-N 460.985 2.461 30 10 JEEE C#CCSCCn1c(N2CCN([C@@H](C)C(F)(F)F)CC2)nnc1[C@@]1(OCC)CCOC1 1690186844 VXIMQDBWQMBSOT-QFBILLFUSA-N 461.554 2.369 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2noc3c2COCC3)nnc1N(C)CCNC(=O)C(C)C 1690245779 MXBQYKAXPJIEGV-UZLBHIALSA-N 458.563 2.195 30 10 JEEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)CC2CCCCC2)CC1 1690275096 UFCHRPHDRWGFLR-QGZVFWFLSA-N 452.625 2.083 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1690319991 GBPWYFLFZABESY-GUDVDZBRSA-N 486.621 2.321 30 10 JEEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1690451577 KEKVJOYMSVENPM-CABCVRRESA-N 452.547 2.317 30 10 JEEE C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1690631104 MTKCCTWOYHFNGA-UHFFFAOYSA-N 450.385 2.212 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Br)s2)nnc1N(C)C[C@H](C)C(=O)NC 1690717276 ALUILDNVOOOIJY-LBPRGKRZSA-N 490.449 2.188 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)ccc2C)nnc1N1CC[C@@](C)(C(=O)NC)C1 1690729156 HPQMUTAEBXBBQF-HSZRJFAPSA-N 475.615 2.037 30 10 JEEE CC(=O)N1CCN([C@H]2CN(c3nnc(COc4ccc(C#N)cc4)n3CC(C)C)C[C@@H]2C)CC1 1690866273 MOJUGFHFBBLSTG-CVDCTZTESA-N 465.602 2.374 30 10 JEEE CCCCN(C)CCn1c(-c2cccn2C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1695201404 FMTBXHSABVNYEM-UHFFFAOYSA-N 464.622 2.256 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H](C)CN1CCN(CC)CC1 1705491001 VQXJYWDIJCJHNR-NHCUHLMSSA-N 490.656 2.406 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@]1(N(C)C)CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1705566864 REYCQCGZYQSPJT-YDHSSHFGSA-N 458.632 2.410 30 10 JEEE C#CCN(c1nnc(CSc2ccc(C)cc2)n1Cc1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 1705571801 INSGLBKVJFKWMD-LJQANCHMSA-N 470.624 2.287 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@](C)(O)c2ccsc2)CC1 1705648623 UYPBHMASYJCPGY-MBSDFSHPSA-N 457.600 2.107 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2Cc2cc(C)nn2C)CC1 1705650031 LJEDVWSVLFOFEX-UHFFFAOYSA-N 467.524 2.203 30 10 JEEE C=CCCOCCn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1705831524 VQCIXCYCFKKOJT-QFIPXVFZSA-N 470.593 2.344 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)CC 1705864673 JDPCCJMAKLKMOU-UGKGYDQZSA-N 481.594 2.104 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1705898652 SJZIHDXTKHXORF-INIZCTEOSA-N 461.885 2.309 30 10 JEEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 1705907609 RPSXUROUVHJZDF-UHFFFAOYSA-N 481.538 2.043 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@H]1c1nncn1C 1705933358 DOLLSSKUERVKRR-SFHVURJKSA-N 457.560 2.025 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCC[C@@H]1c1nncn1C 1705935169 JAFZAWQDRGRUDZ-GOSISDBHSA-N 459.551 2.079 30 10 JEEE C=CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC2(CC1)COC(=O)N2 1705942285 NDLCXUWSYFMWRT-UHFFFAOYSA-N 477.612 2.347 30 10 JEEE CCOC(=O)N[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(OC)CCOC2)C1 1710382978 DUDMSFZNGKGPPC-YADARESESA-N 484.557 2.249 30 10 JEEE CN(C)C(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 1710980329 ACLUCKXIJCUWCH-NRFANRHFSA-N 499.641 2.126 30 10 JEEE COc1cc(OC)cc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCN2CCCCC2=O)c1 1711703128 HWJURSQCLPTAAA-HXUWFJFHSA-N 454.531 2.094 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC(=O)N1CCOCC1 1722295626 UZSYXJXXNDAHHU-OALUTQOASA-N 474.606 2.099 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2cccc(C)n2)c1 1722309826 QALJZVCLJCSYPG-HXUWFJFHSA-N 492.605 2.183 30 10 JEEE C#CCCCn1c(COc2ccc(F)cc2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1722340170 PHJFEWSJHGZDFZ-UHFFFAOYSA-N 463.517 2.230 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CC1CCC(OC)CC1)[C@@H]1CCS(=O)(=O)C1 1722368207 POONRTJEAUPZHD-FUFFSDJGSA-N 450.605 2.004 30 10 JEEE C#CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1CCC[C@@H](O)C1 1722423210 ZUYUMANYHZSHFF-RBUKOAKNSA-N 474.631 2.184 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCn2cc(Cl)cn2)CC1 1722445844 YSPRLCTUYQWUMJ-UHFFFAOYSA-N 462.945 2.333 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(=O)NC)CC1 1722495867 IFFKHGFBFBOWHZ-DYESRHJHSA-N 470.574 2.405 30 10 JEEE C=C(Cn1c(-c2cccnc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1)c1ccccc1 1722540107 BFKWEMVEFUVTQM-UHFFFAOYSA-N 459.554 2.227 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCn2nc(C)nc2C1)C(C)C 1722667076 UCRBBPVPSYNSPS-FQEVSTJZSA-N 450.595 2.297 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(N(C)C)CCC[C@H](C)C1 1722681795 SMTWTAPVSPQNBJ-NNMXDRDESA-N 453.653 2.330 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN(c2cc(F)ccc2F)CC1 1722725441 LPSQUNRVQVBIEX-UHFFFAOYSA-N 476.553 2.489 30 10 JEEE COC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCN(C(C)=O)C2)C1 1729749461 CWOOYOOZYOIVFO-PZJWPPBQSA-N 450.543 2.465 30 10 JEEE CO[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1729841205 HDQWEUKRBPJSIR-GOSISDBHSA-N 492.584 2.144 30 10 JEEE CS(=O)(=O)[C@H]1CCCCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)CC2CC2)C1 1730994646 GMBBBQBASYNBLC-FQEVSTJZSA-N 491.639 2.045 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2CCN(C)C2CCCC2)c1 1740565105 JRXSHSPHPZMCMX-UHFFFAOYSA-N 477.613 2.331 30 10 JEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@]2(C)[C@@H](C1)C2(Cl)Cl 1740575297 RPFJMHQENIPVGN-FRQCXROJSA-N 490.457 2.435 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1sccc1C)[C@H]1CCS(=O)(=O)C1 1740625544 QZEBUHKJWIXGHD-SFHVURJKSA-N 458.613 2.185 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@H]1CCN(CCC)C1)[C@H]1CCS(=O)(=O)C1 1740628514 QUVBLNKCUSGGBD-FPOVZHCZSA-N 489.617 2.355 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 1740750374 PLMMRCDQZWUNQR-PZJWPPBQSA-N 480.613 2.421 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(Cc2cccc(Cl)c2)CC1 1740782815 RQJKVSIEFQSRBY-HXUWFJFHSA-N 495.049 2.163 30 10 JEEE C=C(Cl)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1740804857 GOBRXGBGDSADGH-YWZLYKJASA-N 452.964 2.485 30 10 JEEE C=CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC(NC(=O)COC)CC1 1740870807 KCBPAGRSZTZDFU-UHFFFAOYSA-N 489.646 2.244 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCC2(CCN(C)C2=O)CC1 1740987429 GZATUCCEXHFQIS-UHFFFAOYSA-N 473.599 2.003 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCO[C@@H](COc2ccccc2)C1 1740989216 FISJLGJGFURWNC-HXUWFJFHSA-N 469.567 2.225 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1740990456 ACLFYAINMLHAJR-UHFFFAOYSA-N 453.609 2.451 30 10 JEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1741003570 XPIXYGHFRZMMKD-CVEARBPZSA-N 469.658 2.442 30 10 JEEE CC(C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CCOC(C)C)CC1 1741686971 CFIDLNDXGUICMZ-UHFFFAOYSA-N 453.591 2.278 30 10 JEEE CCOc1c(OC)cc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@](F)(C#N)C2)cc1OC 1746757703 BHEDEEPSNNEYRB-NYHFZMIOSA-N 458.494 2.135 30 10 JEEE CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1CC1(N(C)C)CCOCC1 1747395205 BDVCLVUOQSPHOI-GOSISDBHSA-N 474.631 2.187 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](c1ccccc1OC)N1CCCC1 1748640429 VBGZGOMYSIHUJF-CMKODMSKSA-N 474.631 2.192 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2CCC2(O)CCOCC2)c1 1748692872 QQBPQXVBTPKQSG-HXUWFJFHSA-N 467.570 2.160 30 10 JEEE C#CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1748803309 RMAIVMSXUBQQJZ-MTQWCTHYSA-N 463.648 2.470 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H](C)CN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1748811452 HDCALMRJGNUSOC-VQTJNVASSA-N 458.632 2.032 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H](CC(C)C)NC(=O)OCC)[C@@H]1CCS(=O)(=O)C1 1748812118 QIMFKBUCOPFFGQ-RBUKOAKNSA-N 488.614 2.128 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1748888133 OHCPNQSZYFYXHQ-OALUTQOASA-N 454.575 2.339 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCN(CC(F)(F)F)C2)CC1 1748979589 GEDMNWGLCFELRF-IBGZPJMESA-N 457.504 2.456 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCC(=O)N(C)C)CC1 1749005651 YLRMTTCNSFBLNX-HXUWFJFHSA-N 480.613 2.479 30 10 JEEE C#CCSCCn1c(-c2ccc(Br)s2)nnc1N1CCN2C(=O)NC[C@H]2C1 1749024499 SQONMHBXOVMABE-LBPRGKRZSA-N 467.418 2.349 30 10 JEEE C#CCSCCn1c(N2CCO[C@H](Cn3nc(C)cc3C)C2)nnc1[C@]1(OC(C)C)CCOC1 1749049755 QIDWUAXXURXYNA-URXFXBBRSA-N 488.658 2.404 30 10 JEEE C=C(C)Cn1c(COc2ccc(C)cc2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1749204052 VAOZUWXZXQFTRK-NRFANRHFSA-N 475.615 2.372 30 10 JEEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@H](NC(=O)CCC)C1 1749225393 FFBHJVYNVGHZJM-KRWDZBQOSA-N 458.563 2.484 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 1749228564 BJWNYYDNXNMCQP-MOPGFXCFSA-N 481.663 2.152 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC(C)(C)OC[C@@H]1C 1749727560 XLLQGCOALBIUAP-INIZCTEOSA-N 462.572 2.321 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OCC)CCOC3)n2CC2([S@](C)=O)CCC2)c1 1760124835 BMXPXMJYEGIPPM-FEERPNRMSA-N 499.637 2.288 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2CCN2CCOC[C@@H]2C)c1 1760127989 SWPUOIZNUDGKNT-FQEVSTJZSA-N 473.581 2.041 30 10 JEEE C#CCN(c1nnc(-c2cccc(Br)c2)n1CC1(C)COC1)[C@@H]1CCS(=O)(=O)C1 1760181087 PGWNAWOPNXMEKN-QGZVFWFLSA-N 479.400 2.371 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1C[C@@H]1CN(Cc2ccccc2)CCCO1)[C@@H]1CCS(=O)(=O)C1 1760186078 KFDAQZHQIWICJT-RPWUZVMVSA-N 499.681 2.394 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@H]1N(C)CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1760190325 PDGBNVXJJFXFAV-LEWJYISDSA-N 470.643 2.011 30 10 JEEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1CCN(C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1760192857 YRVSLPILSKFGEK-LJQANCHMSA-N 480.034 2.477 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](OC(C)C)c2ccccc2OC)CC1 1760251857 JQGNLDUAHWRAKA-JOCHJYFZSA-N 468.602 2.346 30 10 JEEE C#CCN1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CCCN(CC)CC)CC1 1760260343 PIGNCIVECSMURJ-UHFFFAOYSA-N 476.629 2.162 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1760272127 ZPMSOVJQXQKEME-NRFANRHFSA-N 492.624 2.102 30 10 JEEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(Nc2cc(OCC)ncn2)CC1 1760346158 KPQFOASHLACHBK-MRXNPFEDSA-N 461.592 2.026 30 10 JEEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN([C@@H](C)C(=O)NCCCOC)CC1 1760370705 AXELXDJYBGMRPV-INIZCTEOSA-N 482.416 2.409 30 10 JEEE C=C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNS(=O)(=O)Cc2ccon2)CC1 1760384637 BDFJLXSXZQLKNH-UHFFFAOYSA-N 453.528 2.081 30 10 JEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(NC(=O)C2CC2)CC1 1760510114 GWWUHJIVHBSPSW-SFHVURJKSA-N 460.579 2.268 30 10 JEEE C=CCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCN(CC(C)C)C(=O)C1 1760512235 PYYJXLGZVFCWIK-UHFFFAOYSA-N 451.619 2.133 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CCN2[C@@H](C)CC[C@H]2C)CC1 1760517757 XDRVRSFVSIFNMX-BGYRXZFFSA-N 496.616 2.150 30 10 JEEE C=CCOc1ccc(Cn2c([C@H]3CCCO3)nnc2N2CCCN(S(C)(=O)=O)CC2)cc1 1760531508 QZTIDZJOQSBODT-HXUWFJFHSA-N 461.588 2.214 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(C)(C)C)CC1 1760532093 KVIXAJXHWWLFFP-SFHVURJKSA-N 476.647 2.422 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1760553937 MIJFJXNSEBYJRA-UHFFFAOYSA-N 474.631 2.333 30 10 JEEE CCc1ccccc1OCc1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@]1(O)CCS(=O)(=O)C1 1762663361 FCZSHARMUVTNFI-XZOQPEGZSA-N 473.599 2.099 30 10 JEEE CN(C)C1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(CCC(N)=O)CC2)CCOCC1 1766901306 IEPXLQISFQSPFG-UHFFFAOYSA-N 465.602 2.409 30 10 JEEE CCN1CCCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(NS(C)(=O)=O)CC1 1767064371 DBTCRVHVLTUERB-OAQYLSRUSA-N 471.631 2.209 30 10 JEEE CN1CCCC(C)(C)[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1769064056 CSMGZXSAVRHWPS-OAQYLSRUSA-N 485.658 2.409 30 10 JEEE CN(C)c1cccc(NC(=O)[C@H](CO)NC(=O)C2CCN([C@@H](C#N)c3cccs3)CC2)c1 1866866788 KQWLRPRCQHUROQ-PMACEKPBSA-N 455.584 2.207 30 10 JEEE C=CCN(CC=C)c1nc(NC(=O)c2ccc(F)c(F)c2F)n([C@@H]2CCS(=O)(=O)C2)n1 1870004621 GGPPLNGGWJPDGG-GFCCVEGCSA-N 455.462 2.486 30 10 JEEE C=CCN(CC=C)c1nc(=NCCN(C)C)nc(Nc2ccc(C(=O)NCCN(CC)CC)cc2)[nH]1 1871703370 GWMYKBCDOWQAQY-UHFFFAOYSA-N 495.676 2.261 30 10 JEEE CN(CC#CCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)Cc1ccccc1 1891470542 MANOERGMCDFQCX-OAQYLSRUSA-N 457.571 2.478 30 10 JEEE C/N=C1\S[C@H](CC(=O)N2CCOC[C@@H]2Cc2cn([C@@H](C)c3ccc(F)cc3C)nn2)C(=O)N1C 2087926610 UFVJMXLURSCROK-TVXRRFBYSA-N 488.589 2.055 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCO[C@@H]1C(=O)NCCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2180985867 UNWQJGNOFSRGMO-OALUTQOASA-N 460.380 2.327 30 10 JEEE COC[C@]1(C(=O)N2CCC=C(B3OC(C)(C)C(C)(C)O3)C2)CN(C(=O)OC(C)(C)C)CCO1 2189213176 VNVYCPMARTXBLR-QHCPKHFHSA-N 466.384 2.429 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1ccc(C#N)cc1Br)C1CS(=O)(=O)C1 2197522934 IJHOJDVOOUTJGC-CQSZACIVSA-N 458.334 2.197 30 10 JEEE CC1(C)OB(c2c[nH]nc2C(=O)N[C@@H]2CCCN(C(=O)OCc3ccccc3)C2)OC1(C)C 2247829275 SRTDLHWWJJAINU-QGZVFWFLSA-N 454.336 2.240 30 10 JEEE CC1(C)OB(c2csc(S(=O)(=O)N(CCC(N)=O)Cc3ccccc3)c2)OC1(C)C 2247880089 ALGVPBVMTDKXOC-UHFFFAOYSA-N 450.391 2.114 30 10 JEEE CN(CCNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1F)C(=O)OC(C)(C)C 2255933012 JJKZFVCDTFVDDP-UHFFFAOYSA-N 458.361 2.270 30 10 JEEE CN(CCNS(=O)(=O)Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)OC(C)(C)C 2255952135 OYKNKEZZVAMYIB-UHFFFAOYSA-N 454.398 2.272 30 10 JEEE CC(C)(C)OC(=O)NCC1CC(CC(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2256673040 AUXMFIPLDTWVGL-UHFFFAOYSA-N 452.386 2.139 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](NC(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)CCO1 2266994054 PRHQWUHDHNQXLZ-KGLIPLIRSA-N 467.397 2.244 30 10 JEEE Cc1c(B2OC(C)(C)C(C)(C)O2)csc1C(=O)NC1(CCO)CN(C(=O)OC(C)(C)C)C1 2267107362 MPHRARPMJSKAGG-UHFFFAOYSA-N 466.409 2.457 30 10 JEEE Cc1csc(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)c1B1OC(C)(C)C(C)(C)O1 2267151493 JKIDUCSVCQBCSH-HUUCEWRRSA-N 466.409 2.313 30 10 JEEE CN(CC[S@](C)(=O)=NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1)C(=O)OC(C)(C)C 2267259800 FDUVLSATSJFMRN-YTTGMZPUSA-N 467.397 2.486 30 10 JEEE CC(C)(C)OC(=O)N1CC=C[C@H]1CNS(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2267722263 VGAQTEHJARNAKI-INIZCTEOSA-N 464.393 2.440 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1)[C@H]1CCCO1 2268698556 BMNOUAOUKGUYMN-HUUCEWRRSA-N 467.397 2.131 30 10 JEEE CC1(C)OB(c2ccnc(N3CCO[C@@]4(CCCN(C(=O)C(F)(F)F)C4)C3)c2)OC1(C)C 2280759156 OBIHRWCKARISHU-FQEVSTJZSA-N 455.286 2.141 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)C1 2282003395 BHNHMIGSVMFGDV-HOTGVXAUSA-N 462.400 2.451 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H](C)C[C@@H](NC(=O)OC(C)(C)C)C1 2282005953 SCCOUVUEFGFFMZ-GOEBONIOSA-N 462.400 2.403 30 10 JEEE CC1(C)OB(c2ccoc2C(=O)N2CC[C@](CNC(=O)C(F)(F)F)(C3CC3)C2)OC1(C)C 2282045529 YDVZMTCJXFARTF-HXUWFJFHSA-N 456.270 2.500 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2CN(Cc3ccccc3)C[C@@]2(C)C1 2282051442 UEIUDMJWZLFIEC-CLOONOSVSA-N 450.392 2.313 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CC[C@H](NC(=O)C(F)(F)F)[C@H](C)C1 2282126278 IGQZSWFHYXDPIN-HIFRSBDPSA-N 457.302 2.336 30 10 JEEE CCO[C@@H]1C[C@H](NC(=O)OC(C)(C)C)[C@H]1NC(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2282177646 AFTBIVBBWZTQCA-LZLYRXPVSA-N 461.368 2.181 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)c1n[nH]c(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cn2C)n1 2282183841 LDBRXDCWULDCJS-LBPRGKRZSA-N 460.344 2.280 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2F)C1 2282406191 GTXUBDQPIKCLSY-MRXNPFEDSA-N 464.343 2.491 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2CN(C(=O)C3(B4OC(C)(C)C(C)(C)O4)CCC3)CCN2C1=O 2282485205 OSMJVOSOVXDHSL-CVEARBPZSA-N 463.384 2.339 30 10 JEEE C[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282535119 ZVARWTVEHYLJOG-JKSUJKDBSA-N 462.400 2.485 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H](NC(=O)OC(C)(C)C)C2(CCC2)C1 2282536127 YIXYQTZVADYUGJ-INIZCTEOSA-N 460.384 2.239 30 10 JEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)C1NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282537343 OUUSQERIPZWRDD-GJZGRUSLSA-N 462.400 2.341 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 2282587869 BRCFPBWCDVGMSW-HOCLYGCPSA-N 462.400 2.403 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H](NC(=O)OC(C)(C)C)[C@@H]2COC[C@H]21 2282592358 BTIOMFVTEQGRNE-SOUVJXGZSA-N 479.408 2.115 30 10 JEEE CC1(C)OB(c2ccc(C(=O)NC[C@@H]3CN(Cc4ccccc4)CCO3)c(O)c2)OC1(C)C 2282804549 ICJSOSTZLBEGPB-HXUWFJFHSA-N 452.360 2.322 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2C(NS(=O)(=O)Cc3ccc(B4OC(C)(C)C(C)(C)O4)cc3)[C@@H]2C1 2282847394 YJFLSWZFYGNIGO-QZTJIDSGSA-N 478.420 2.271 30 10 JEEE C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)CO1 2283952066 DPZQZUSPDLBOBH-CZUORRHYSA-N 465.331 2.483 30 10 JEEE CC(C)(C)OC(=O)N1CC(O)(CC(=O)N2CCc3cc(B4OC(C)(C)C(C)(C)O4)ccc32)C1 2283953986 ZYJUULGXPQLKRG-UHFFFAOYSA-N 458.364 2.247 30 10 JEEE C[C@H](NC(=O)CN1CC(NC(=O)OC(C)(C)C)C1)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2283987734 ZPFAWLSUWOXNLU-INIZCTEOSA-N 459.396 2.372 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](OCC(=O)N=c2ccc(Cl)c(B3OC(C)(C)C(C)(C)O3)[nH]2)C1 2284046277 YJUPJARQPVIKLS-CQSZACIVSA-N 481.786 2.421 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)CO1 2284069967 ZTGHSAGPRCSFQJ-LSDHHAIUSA-N 481.424 2.378 30 10 JEEE Cc1nc2ccccn2c1C(O)=C1C(=O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1ccncc1 2296079384 LEDZNVXNZMOSMT-JOCHJYFZSA-N 461.522 2.182 30 10 JEEE CN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2301497336 RXRWUVZMTYPHSV-PMACEKPBSA-N 451.633 2.426 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)[C@@H](C)Oc3cccnc3NC(=O)C=CC(=O)O)cc21 2318692721 PLNLKRZXVIMGAV-CQSZACIVSA-N 451.435 2.223 30 10 JEEE CC(=NNc1nc2c(c(O)nc(=O)n2C)n1C[C@@H](O)COc1cccc(C)c1)c1ccccc1 2327753951 SSNAIGVSWBSOST-GOSISDBHSA-N 462.510 2.420 30 10 JEEE Cc1scc(C(=O)N2C[C@H](O)C[C@@H]2CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2343500838 WBULSOABNWBTOB-HUUCEWRRSA-N 466.409 2.456 30 10 JEEE COc1nc(N2C[C@@H]3OCCN(Cc4ccccc4)[C@H]3C2)ccc1B1OC(C)(C)C(C)(C)O1 2365343926 HDYPULQGPUBUPK-SFTDATJTSA-N 451.376 2.479 30 10 JEEE CC(C)(C)OC(=O)N1CC2(C1)OCCC[C@]2(C(=O)O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 2373523734 CQIUJYVKFYTCKL-NBGIEHNGSA-N 470.570 2.320 30 10 JEEE COC(=O)c1ccc(/C=N/Nc2nnc(SCC(=O)NCCc3ccc(Cl)cc3)n2N)cc1 20913543 RLTJPEKZDFEKCJ-BRJLIKDPSA-N 487.973 2.329 30 10 JEEE COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2Cl)c(=O)n1Cc1ccccc1 619539280 XULZYPGGODNTKI-UHFFFAOYSA-N 498.004 2.276 30 10 JEEE C#CCN(C(=O)c1cccc(S(=O)(=O)Nc2ccc(OCC)cc2)c1)[C@@H]1CCS(=O)(=O)C1 729331956 RXOBPYKBZPDJIS-LJQANCHMSA-N 476.576 2.149 30 10 JEEE COc1ccc(-n2c(=C(C#N)C(=O)CC(C)C)sc(=Cc3cnn4ccccc34)c2=O)cn1 729672220 CJORCHUIXFKARN-UHFFFAOYSA-N 459.531 2.069 30 10 JEEE C#CCC[C@@H](O)CNC(=O)[C@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 757487724 VXCGPHWMXIRAIH-ZHRRBRCNSA-N 450.491 2.259 30 10 JEEE C[C@@H](OC(=O)CNS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1ccccc1Br 853720545 BPEYECNOKIOURI-GFCCVEGCSA-N 466.313 2.169 30 10 JEEE CCN(Cc1nc(O)c2ccccc2n1)C(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 1135990075 HNLOTMDXHBCTKE-AWEZNQCLSA-N 453.524 2.201 30 10 JEEE C#CCN(c1nnc(C2CCN(c3ncccn3)CC2)n1CCCCC)[C@H]1CCS(=O)(=O)C1 1286396117 UIMGRBVJURNZRW-FQEVSTJZSA-N 471.631 2.269 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1CC(=O)NCCc1ccccc1 1286401011 MQECLWJRWBVSIX-UHFFFAOYSA-N 479.382 2.478 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@H]2CCOC[C@H]2OC)CC1 1286472890 WRIXHUHIQDCUGN-NNMXDRDESA-N 457.550 2.364 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Cl)c3)n2CCC(=O)NCCC)CC1 1286487561 GJMCLJUDGGALLX-UHFFFAOYSA-N 456.978 2.481 30 10 JEEE C#CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1286501158 NZXIXZBZSORWDW-INIZCTEOSA-N 484.047 2.492 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@H](COC)C1 1286672704 QCLQLIDUSGREFO-RBUKOAKNSA-N 469.652 2.466 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC[C@](C)(CC)O1)C1CC1 1286738368 UBZGHCVPJDREQT-WFXMLNOXSA-N 453.609 2.114 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCN(C[C@H]2CCCO2)CC1 1286791856 FMKIRVVZALSBNQ-OAQYLSRUSA-N 468.602 2.077 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1286795072 DYYXVJNXFCRWPO-RYRKJORJSA-N 461.588 2.100 30 10 JEEE CC(=O)N1CC[C@H](CN(C)c2nnc(COc3ccc(C#N)cc3)n2CCN2CCCC2)C1 1286847980 CTBGWIQEPKQDLV-OAQYLSRUSA-N 451.575 2.129 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1nnc2n1CCCCC2 1286960529 GROOFNIRQUOECB-KRWDZBQOSA-N 497.629 2.157 30 10 JEEE CC(C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1287099404 AIOJDMPQIKITHC-UHFFFAOYSA-N 450.465 2.483 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1CC1(N2CCOCC2)CCCCC1)[C@H]1CCS(=O)(=O)C1 1300479240 KBIAKPYPYXAVJH-FQEVSTJZSA-N 477.675 2.237 30 10 JEEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](F)c1ccc(Br)cc1 1300509672 RODVXRWGOZWXIY-WMLDXEAASA-N 482.379 2.434 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCc1ccncc1 1300562058 ZNAAKESTJOSWSH-UHFFFAOYSA-N 462.579 2.296 30 10 JEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1300757012 YZURBMNINKPNTB-GOSISDBHSA-N 470.002 2.447 30 10 JEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCN(CC)C(=O)OC(C)(C)C)CC1 1301065994 LOHZBPDEQTZYTJ-MRXNPFEDSA-N 456.613 2.302 30 10 JEEE C=CC1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2(S(C)(=O)=O)CC2)CC1 1301111849 HPEZDDOHPRFXPR-UHFFFAOYSA-N 464.613 2.328 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1301485158 SBJLMDODXPVOAG-MRXNPFEDSA-N 463.629 2.201 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)Cc1cnccn1 1301500898 QPSSNEVJWYHQES-QGZVFWFLSA-N 470.578 2.121 30 10 JEEE N#Cc1ccc(S(=O)(=O)N2CCC([C@@H]3OCC[C@H]3NC(=O)C(F)(F)F)CC2)cc1Cl 1309495197 AARVXCSLLWDMAA-CVEARBPZSA-N 465.881 2.448 30 10 JEEE CN(CCCn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@H](C#N)C1)CC(F)(F)F 1314850386 ALGKVEVLEGOZCR-QGZVFWFLSA-N 462.480 2.130 30 10 JEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CCCN2CCOCC2)CC1 1358912208 LDWBTRJYXWSNTQ-QFIPXVFZSA-N 477.675 2.313 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC(F)(F)F)CC1 1358929894 KNXBKDMKHXNSPW-INIZCTEOSA-N 463.526 2.193 30 10 JEEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC[C@H](C(F)F)N1CCOCC1 1358946163 LECJENLYKVZNTH-LJQANCHMSA-N 485.539 2.100 30 10 JEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@](C)(O)c1ccc(F)cc1 1358976006 MXSVUWASMAXXBH-DEOSSOPVSA-N 480.569 2.358 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 1359056252 BGTLWGRJHMLPBG-KBXCAEBGSA-N 480.578 2.076 30 10 JEEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 1359126850 AXNAEYCARGCFRP-RTBURBONSA-N 465.624 2.136 30 10 JEEE C=C(C)COCCn1c(-c2cccc(C)n2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1359131166 JWGHZDHFOKDKEX-IBGZPJMESA-N 453.591 2.030 30 10 JEEE C=C(Cl)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1359143444 AIGNIFKNNVDTJH-UHFFFAOYSA-N 468.787 2.189 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1359188894 WXYNSGADMQOJIL-KRWDZBQOSA-N 487.692 2.033 30 10 JEEE C=CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN2CCOC[C@H]2C1 1359199133 LSDNUFRBZJNRKE-HXUWFJFHSA-N 474.631 2.073 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCC(=O)N2)n1CC(=O)NCc1ccco1 1359260357 BJPIBECEBXVBTL-IBGZPJMESA-N 452.490 2.470 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1359294357 RGUHCPQNANITDH-INIZCTEOSA-N 477.960 2.277 30 10 JEEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCCN(CC(F)(F)F)CC1 1359303696 XXWQIWQRSTUVDJ-UHFFFAOYSA-N 450.509 2.440 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ccccc2C)CC1 1359332318 UXYDYFDOOKPNAE-HXUWFJFHSA-N 459.616 2.408 30 10 JEEE C[C@@H]1CCCN1CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](CC(N)=O)C1 1493853168 FWVRJDKVIQCJIK-UYAOXDASSA-N 451.575 2.305 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC1(O)CCS(=O)(=O)CC1 1507514933 FMCWKGTUYYIANE-CVEARBPZSA-N 466.991 2.469 30 10 JEEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 1507572381 HWHWOSSEYUETMI-LEWJYISDSA-N 492.628 2.156 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2cc(F)cc(C)c2C1 1507588033 DWPNBHOBQRHCBN-FQEVSTJZSA-N 461.563 2.035 30 10 JEEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1507596349 HYKLCKBXEZISIR-UNMCSNQZSA-N 487.626 2.235 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1C[C@@H](C)Oc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1507633262 CPJBAOGRVOYHKL-IEBWSBKVSA-N 458.584 2.333 30 10 JEEE C#CCN(CC#C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CCS(=O)(=O)NC 1507642191 HQLUMPLNKBNPJZ-KRWDZBQOSA-N 463.991 2.310 30 10 JEEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1507690793 WUJYRZBUVBMHLM-OAQYLSRUSA-N 490.587 2.395 30 10 JEEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1507747146 IAKAOLBUGFCDDF-UHFFFAOYSA-N 477.638 2.318 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCN(C(C)C)C(C)C 1507771553 BRZYSJIQAABTPW-NFBKMPQASA-N 480.679 2.112 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C/C=C\c1ccccc1 1507773027 OPRCGDINSOZNSV-JDTOKCPHSA-N 455.584 2.317 30 10 JEEE C=C(C)COCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@H](NC(C)=O)C1 1507845161 XPBAFZYNCDOLSP-NRFANRHFSA-N 468.606 2.150 30 10 JEEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC2(CC1)COC(=O)N2 1507869247 SRYJDSLHQSHNIC-HNNXBMFYSA-N 482.969 2.418 30 10 JEEE C=CCCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1507926850 VGLXFZBULFWTGM-AEFFLSMTSA-N 456.522 2.061 30 10 JEEE C=CCCOCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)NC)CC1 1507957845 WOUGTTNCEXCGFC-UHFFFAOYSA-N 455.563 2.201 30 10 JEEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 1508095717 ROMQWBLUVIJPRX-UHFFFAOYSA-N 450.587 2.337 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC2(C(N)=O)CCOCC2)C1 1508108810 IVQBIQQVSUBLHQ-FQEVSTJZSA-N 482.585 2.211 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC(c2ccsc2)CC1 1508132273 WIWKWFAVCSEVAM-UHFFFAOYSA-N 451.618 2.463 30 10 JEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1508164143 ZAXCQOKKICGOQS-ROUUACIJSA-N 469.677 2.088 30 10 JEEE C#CCNC(=O)C1CCN(C(=O)CSc2nnc(-c3ccccc3)n2[C@H](C)COC)CC1 1524476378 JXZJKWDIWXUMIE-QGZVFWFLSA-N 455.584 2.233 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1(N(C)C)CCOCC1 1538966407 ZDIYBKZLKJWQSW-QGZVFWFLSA-N 458.994 2.430 30 10 JEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 1539071589 CKYGZJCMHSIGSH-PZJWPPBQSA-N 475.659 2.459 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1[C@@H]1C[C@H]1C(C)C)[C@@H]1CCS(=O)(=O)C1 1539205685 JGJOJDJCCZJVNJ-MOXWOTFGSA-N 450.605 2.162 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCCN1CCC)[C@@H]1CCS(=O)(=O)C1 1539206015 LQZILUDORRXCFI-LEWJYISDSA-N 486.598 2.354 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@]1(O)CCS(=O)(=O)C1 1539238907 DTOQEGROPARJNT-JPYJTQIMSA-N 491.013 2.311 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H]1CCCS(=O)(=O)C1 1539319911 KVFRWCOKVDAUSX-SFHVURJKSA-N 454.552 2.004 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H]2CC(F)(F)CO2)CC1 1539434657 RWVGTDHFFJNNOB-OAHLLOKOSA-N 469.334 2.226 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCN2CCCC[C@H]2CC)CC1 1539467238 PUYVRKQXANMTBW-OAQYLSRUSA-N 492.628 2.156 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCOCC)CC1 1539481707 NBXZQEHBCYZCFC-FQEVSTJZSA-N 488.633 2.395 30 10 JEEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1539533848 WBQPAOWIILHDGG-PMACEKPBSA-N 476.647 2.096 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)C[C@H](C)C(=O)NC 1539627100 HXRIVDAMAQWBQC-LNLFQRSKSA-N 489.646 2.038 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCCN(c2nccs2)CC1 1540866622 URYLIWQGTJNGCL-UHFFFAOYSA-N 458.979 2.469 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1540904385 MXBMMFRXSIZHLG-IBGZPJMESA-N 484.619 2.012 30 10 JEEE CN(CC(C)(C)CN1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1CCCc1cnn(C)n1 1554136802 HPRHGFNESMHUNE-UHFFFAOYSA-N 477.617 2.373 30 10 JEEE C#CCN1CCC[C@@H](NC(=O)c2cc(S(=O)(=O)NCC(C)C)ccc2Br)C1 1558328585 BJZCPUJQMXFEBE-OAHLLOKOSA-N 456.406 2.211 30 10 JEEE CNC(=O)[C@@H]1CN(S(=O)(=O)c2cc(Br)c(C#N)cc2F)c2ccccc2O1 1561089970 DBKFUKIWULJSEM-HNNXBMFYSA-N 454.277 2.162 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCSC(C)C)c1 1587693141 PQBQIIXPZCRCMM-GOSISDBHSA-N 475.640 2.378 30 10 JEEE C#CCCCn1c(COc2cccc(C)c2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1587884152 RTIMTWTZHAUEQU-JOCHJYFZSA-N 487.626 2.210 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CCSC(C)C)[C@H]1CCS(=O)(=O)C1 1588034346 DMYOCYNYJGZPGX-RXVVDRJESA-N 470.661 2.087 30 10 JEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1nccn1C(F)F 1588090584 YOPALEXKKNDCDQ-UHFFFAOYSA-N 472.525 2.259 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2CCO[C@H]2C(C)C)CC1 1588762878 OTYQHBMUXZXPSR-UNMCSNQZSA-N 471.627 2.165 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)CCC2CCCC2)CC1 1595796599 AMTDEZMWGYDUAW-OAQYLSRUSA-N 493.674 2.392 30 10 JEEE Cc1cccc(CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)Cc2ccc(C#N)cc2)n1 1612225660 GWACMIOYMMUOMY-JOCHJYFZSA-N 495.609 2.065 30 10 JEEE COc1ccc(OCc2nnc(N3CC[C@](F)(C#N)C3)n2CCCN2CCC[C@H]2C(=O)N(C)C)cc1 1619317323 DNXWUDGIYLAKMB-OFVILXPXSA-N 499.591 2.250 30 10 JEEE CS(=O)(=O)[C@@H]1CCCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCSC2)C1 1620150311 ANVOTWSXDIOGSA-NQIIRXRSSA-N 461.613 2.088 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H]1CC(=O)N(C2CN(C(=O)OC(C)(C)C)C2)C1 1638849365 HNGIGXLASCDHGA-IBGZPJMESA-N 453.543 2.476 30 10 JEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCC[C@@H](c3nnc(S)n3C)C2)cc1 1667956198 LCJDEOATWPBYOC-CQSZACIVSA-N 450.590 2.322 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1689988421 OWAMUPGVVCAGBT-IBGZPJMESA-N 451.552 2.332 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1Cc1ccc(C[S@@](C)=O)cc1)[C@H]1CCS(=O)(=O)C1 1689992847 PPZZOSUFYCTCJO-WENCNXQZSA-N 462.641 2.030 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CCCN1C[C@H](C)C[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1689993544 GOIZFNSLELDAQK-XPNTWCBSSA-N 484.670 2.259 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1nnc2n1CCCCC2 1690076894 DGLSNMMOVLBZHD-SFHVURJKSA-N 484.605 2.412 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H]2CCC[C@@H](O)C2)CC1 1690113192 CFQSGCJGOCTGMY-SJLPKXTDSA-N 461.408 2.352 30 10 JEEE C=CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1690631166 SJRWVEYSGIXQHY-UHFFFAOYSA-N 465.576 2.017 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1690725586 VJYJSGMRVGQGBE-HXUWFJFHSA-N 492.552 2.059 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 1690725628 XDDDFQRPLJLVLQ-UHFFFAOYSA-N 451.637 2.449 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCC[C@@H](S(C)(=O)=O)C2)nnc1C1(c2ccccc2)CCC1 1690731159 BIBCOXYNOPIQBS-HXUWFJFHSA-N 492.667 2.362 30 10 JEEE C=CCSCCn1c(-c2ccccc2OC)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1690738425 MLSMRWXXYSICEL-UHFFFAOYSA-N 472.615 2.046 30 10 JEEE CC[C@@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@H](C)CN1CCN(CC)CC1 1694115434 DCFJAEXSGDFNSU-NHCUHLMSSA-N 496.708 2.305 30 10 JEEE COCCC1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@@H](CNC(C)=O)C2)CCC1 1697941310 CTVZGPIGQYCVAO-NRFANRHFSA-N 452.559 2.365 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCCO2)n1CCOc1ccc(S(C)(=O)=O)cc1 1705596425 DLGWWDFBWWGJBI-NRFANRHFSA-N 456.568 2.465 30 10 JEEE C=C(C)COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1705732036 LQTLQDPGVSPFKY-UHFFFAOYSA-N 478.575 2.306 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 1705737003 HWNHSVZYLBGSTG-HXUWFJFHSA-N 454.575 2.135 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(C)n(C)c1=O 1705864281 WLZISXLTASSFLM-MRXNPFEDSA-N 476.628 2.198 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1705898563 PNJRUPNGOKTOHC-SANMLTNESA-N 498.628 2.344 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 1705936112 KHBLFUJDVUVZLR-KRWDZBQOSA-N 483.635 2.219 30 10 JEEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCCN(c2nc(C)ns2)CC1 1705948478 VHELQBPEWJGTPS-UHFFFAOYSA-N 462.649 2.196 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1[C@H]1C[C@H](c2ccccc2C)C1 1722296979 WVVYACKJEFHFQG-IWFBPKFRSA-N 457.600 2.496 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@](C)(O)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1722372411 WDNRFTNTICPAHM-ZJSXRUAMSA-N 488.658 2.098 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnccn3)n2C[C@@H]2N(C)CCCC2(C)C)n1 1722428006 PLIGDRZWVINPMU-QFIPXVFZSA-N 477.617 2.338 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)c1nc(-c2ccccc2)no1 1722429854 WYSDEOJPTUOIJQ-HKUYNNGSSA-N 484.582 2.120 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CCCCN2CCC[C@H]2CO)CC1 1722443068 MVABEBIVSYRENB-NRFANRHFSA-N 468.602 2.049 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H]2CCOC[C@H]2OC)CC1 1722449622 WHAOWAHCLUGCIJ-RBBKRZOGSA-N 469.561 2.025 30 10 JEEE C#CCSCCn1c(-c2cccc(OC(F)F)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1722453858 FBBZQWLIWZMKTM-NVXWUHKLSA-N 466.510 2.273 30 10 JEEE C=C(Br)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H](CN2CCOCC2)C1 1722487021 HUEKDPVJLIXOBH-GOSISDBHSA-N 464.412 2.207 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCOc2cccc(C)c2)CC1 1722566704 XFQOAERIZPXWPG-HXUWFJFHSA-N 461.588 2.155 30 10 JEEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1ccc(C)n(C)c1=O 1722632787 IIRSQNSPTHMDNK-UHFFFAOYSA-N 455.588 2.224 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCC(NC(C)C)CC1 1722698250 XLKABECKFIWQKY-UHFFFAOYSA-N 492.628 2.334 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCN2CCOC(C)(C)C2)C1 1722710635 LWZWCLLKLSRMLO-RDPSFJRHSA-N 463.623 2.211 30 10 JEEE CCS(=O)(=O)N(C)CCCn1c(C(C)C)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1729213024 HYHFQMPROZAGEX-UHFFFAOYSA-N 477.610 2.410 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCSCc1ccccc1F 1740550069 HOISOPUPVOKVJW-VQIMIIECSA-N 481.619 2.141 30 10 JEEE C#CCN(c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(C)(C)CC=C)[C@H]1CCS(=O)(=O)C1 1740618961 DVJQJSPAOGIGRH-FQEVSTJZSA-N 480.598 2.150 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCCCN1CCCC)[C@@H]1CCS(=O)(=O)C1 1740626540 LMMMWNVXHIKCPD-QHAWAJNXSA-N 463.648 2.063 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CCCN1CCCO[C@@H](C)C1 1740684584 VQOQOZCPLBTMFI-IBGZPJMESA-N 479.585 2.181 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC2(C(N)=O)CCCC2)CC1 1740700147 HHSFPBCITMWSCP-IBGZPJMESA-N 485.633 2.151 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)N1CCC[C@H](C)C1 1740731417 BCLJLLSPRNAJCT-DCLXLUIPSA-N 492.690 2.114 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(c2ncc(F)cn2)CC1 1740778586 LZRNEVROQSWTEY-UHFFFAOYSA-N 486.577 2.027 30 10 JEEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2csc(CC)n2)CC1 1740782522 UMEJGAADFJLIDA-MRXNPFEDSA-N 450.634 2.097 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1740811151 MVLAUOOJBDAHTF-OAHLLOKOSA-N 466.951 2.168 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(S(C)(=O)=O)cc1 1740931714 AQKHAEZHRACURE-GOSISDBHSA-N 464.613 2.005 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(F)(F)F 1740937302 DRVWHRFTETXIIU-OAHLLOKOSA-N 463.482 2.001 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1740955304 PLAQVBPQVUXVGU-NRFANRHFSA-N 481.557 2.059 30 10 JEEE C=CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@H](CNC(C)=O)C1 1740996982 KSBUJHTVKSKVOT-OAHLLOKOSA-N 469.409 2.296 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CC(C)(C)c2cccc(F)c2)CC1 1749015671 ISHUPZVPGHECDH-UHFFFAOYSA-N 480.588 2.483 30 10 JEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 1749457012 DRGSVDWZHCVLDO-SFHVURJKSA-N 491.614 2.073 30 10 JEEE C=CCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1749493457 FXCHCEXVJKMCBX-RXVVDRJESA-N 454.575 2.356 30 10 JEEE CC(C)C(=O)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCC(=O)N(C)C)CC1 1750544023 DQLVAQSVEXUYMG-UHFFFAOYSA-N 451.575 2.380 30 10 JEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCN1CCCO[C@H](C)C1 1760164844 BHJRMRKXMQNZNE-GOSISDBHSA-N 473.647 2.117 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CC1([S@@](C)=O)CCC1)[C@@H]1CCS(=O)(=O)C1 1760192051 PYAMVSAJGNHNCX-AYLZSAKASA-N 490.651 2.093 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(OCC(C)C)cc2)CC1 1760251820 IKOMPCHBIJUEON-UHFFFAOYSA-N 450.587 2.352 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC2(C)COC2)CC1 1760273591 ZHPAGJZHYNXTHQ-IBGZPJMESA-N 486.617 2.352 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(CCN2[C@H](C)CC[C@H]2C)CC1 1760313298 LXRGZNRSTIERGW-ODAXIHTASA-N 487.693 2.392 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1760342406 ALOUZIPMHQVPSD-UHFFFAOYSA-N 481.644 2.175 30 10 JEEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H](CN2CCOCC2)C1 1760351941 NFSGNXOAUCVYNW-HXUWFJFHSA-N 489.642 2.100 30 10 JEEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCCCS(C)(=O)=O 1760463931 UCZBNAIIKNYIHK-KRWDZBQOSA-N 471.624 2.424 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1760514376 CTOVVVGKTZEBBS-HXUWFJFHSA-N 495.628 2.438 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(Br)cc3)n2CCS(C)(=O)=O)C1 1760549478 FNFUBSVJDZCPPC-QGZVFWFLSA-N 485.404 2.446 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CCC[C@@H]1c1nncn1C 1760557103 ADSMKBJYXPHGTE-LJQANCHMSA-N 455.588 2.134 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 1760559892 VCECPPKHNQPPBU-LJQANCHMSA-N 465.620 2.102 30 10 JEEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@H](SC)C1 1760566298 QKGSEDIXFMGMGS-IRXDYDNUSA-N 475.706 2.252 30 10 JEEE CCN1CCN(C[C@@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](C(=O)OC)C2)CC1 1767144381 GRGJFZXDRYAREK-NFBKMPQASA-N 479.629 2.480 30 10 JEEE Cn1cc(-c2nnc(N(CCC#N)CC3CC3)n2C[C@H](N2CCOCC2)C(F)(F)F)cn1 1767448488 AUMRRJBPZXFBEW-KRWDZBQOSA-N 452.485 2.072 30 10 JEEE Cn1ncc(CCCn2c(CNC(=O)c3cccs3)nnc2N2CCC[C@](C)(C#N)C2)n1 1769079402 DPTCPSOVOMCNCP-OAQYLSRUSA-N 453.576 2.161 30 10 JEEE CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C2CCCCC2)N(C)C)CCO1 1769242679 ICGWFKVZIYGNIK-FGZHOGPDSA-N 465.602 2.278 30 10 JEEE O=C(CNC(=O)[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1)ON1C(=O)c2ccccc2C1=O 1772788631 YHQWUBXGHPKFMK-QFIPXVFZSA-N 469.453 2.254 30 10 JEEE C=CCN(CC=C)C(=O)[C@@H]1CCCN1C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 1862250954 HBCCDPGJIXVXGJ-FQEVSTJZSA-N 482.002 2.166 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCNC(C)=O)[C@@H]2c2ccccc2C(=O)O)cc1C 1862407041 FCIQHFBUEKQCDP-HXUWFJFHSA-N 452.463 2.416 30 10 JEEE C=CCn1cc(OCC(=O)NCCCO)c(=O)cc1CN1CCC(Cc2ccccc2)CC1 1870355465 ZESLMXQLDHDHSV-UHFFFAOYSA-N 453.583 2.366 30 10 JEEE C=CCOc1cn(CCN2CCOCC2)c(CN2CCN(c3ccc(F)cc3)CC2)cc1=O 1870386135 BHVRJSNYYOUPGF-UHFFFAOYSA-N 456.562 2.207 30 10 JEEE C#CCOc1cn(Cc2cccnc2)c(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1=O 1870560056 ZJMMEPHSPHSBSF-UHFFFAOYSA-N 472.545 2.350 30 10 JEEE C=CCNC(=O)C1CCN(C(=O)[C@H]2CC(=O)N(C[C@@H](c3ccccc3)N3CCCC3)C2)CC1 1872941462 NJGVDXFJVUYDEM-GOTSBHOMSA-N 452.599 2.213 30 10 JEEE C=CCN1C(=O)C(NCc2ccc(S(N)(=O)=O)cc2)=C(c2cccc(Br)c2)C1=O 1873052612 OBKKGRABGRUZAB-UHFFFAOYSA-N 476.352 2.152 30 10 JEEE C=CCn1c(C(=O)NC[C@H](O)c2ccc(Cl)cc2)cc2c(N3CCC(C(N)=O)CC3)ncnc21 1873595326 YFTYZGWWMXLVFW-FQEVSTJZSA-N 482.972 2.436 30 10 JEEE CCCNC(=O)CSc1nnc([C@H]2CCCO2)n1/N=C/c1cc2c(cc1[N+](=O)[O-])OCCO2 1874444798 KZDAECPWAOHANY-XHADFYDMSA-N 476.515 2.310 30 10 JEEE Cc1nn(Cc2ccccc2)c(C)c1S(=O)(=O)N1CCC[C@@H](Oc2nccnc2C#N)C1 1891809069 BHGXKQMOCSBFQU-LJQANCHMSA-N 452.540 2.442 30 10 JEEE C=C(Br)CS(=O)(=O)N1CCN([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 2118088066 QLIJGXHCUOLBNL-OAHLLOKOSA-N 452.415 2.242 30 10 JEEE C#CCN1CC[C@H](NC(=O)c2cc(I)cc(I)c2O)C1 2204196333 FOSCYUBBXXGXHN-JTQLQIEISA-N 496.086 2.039 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCOC[C@H]1NC(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2255709465 WRSKDPYEEFPFQW-HUUCEWRRSA-N 452.382 2.459 30 10 JEEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@H]3[C@@H]4CN(Cc5ccccc5)C[C@@H]43)s2)OC1(C)C 2255754418 ZCWLSXBEEDNRFA-YRWFTTLQSA-N 460.430 2.456 30 10 JEEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H](C2)N1S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2267377002 DLJOHPANGCHSOD-HOTGVXAUSA-N 465.381 2.458 30 10 JEEE Cc1nc(C(=O)NC[C@@H]2COCCN2Cc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)s1 2267478896 DYIQJBIQCXAFLR-GOSISDBHSA-N 457.405 2.382 30 10 JEEE Cn1nc(C(=O)N2CC3(CN(C(=O)OC(C)(C)C)C3)C2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2267498174 IPWTYCZIIOMJMA-UHFFFAOYSA-N 466.775 2.066 30 10 JEEE CC1(C)OB(c2cnc(C(=O)N3CC[C@](C)(NC(=O)C(F)(F)F)C3)c(Cl)c2)OC1(C)C 2267536321 BLWGYIYDTONNMD-SFHVURJKSA-N 461.677 2.317 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@](C)(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)C1 2267536558 CUGSGJXRKKSMSM-OAQYLSRUSA-N 467.397 2.198 30 10 JEEE CC1(NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)c(F)c2)CN(C(=O)OC(C)(C)C)C1 2267708303 HNAITYZRTHVBFJ-UHFFFAOYSA-N 470.372 2.413 30 10 JEEE COC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2sc(B3OC(C)(C)C(C)(C)O3)cc2C1 2268612742 KWTVKAUGSIRAPM-OAHLLOKOSA-N 466.409 2.472 30 10 JEEE CC[C@](COC)(NC(=O)OC(C)(C)C)C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2268642073 QJEZILLKVAUQDH-OAQYLSRUSA-N 469.413 2.378 30 10 JEEE COc1ccc(NC(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2268702723 XQSLVJMIZLAKPB-KRWDZBQOSA-N 450.341 2.209 30 10 JEEE Cc1c(C(=O)N2CCCN(C(=O)OC(C)(C)C)C[C@H]2C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281980384 BDNUCNXYIJPYTO-OAHLLOKOSA-N 462.400 2.499 30 10 JEEE Cc1c(C(=O)NCC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281987995 GKDXCKXAPHSVHX-MRXNPFEDSA-N 462.400 2.405 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2(C)C)n1 2282039129 QNCYLXQPHQDKJO-ZBFHGGJFSA-N 462.400 2.389 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1[C@@H]2[C@@H]1CCCCN2C(=O)OC(C)(C)C 2282042396 GSVPCWHXGLYZDR-OIISXLGYSA-N 460.384 2.237 30 10 JEEE CCc1nc(C(=O)N[C@@H]2COC[C@@H]2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2282526794 UNJIMGXWTDRZBG-UONOGXRCSA-N 481.424 2.274 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(=O)O)N(C(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)C1 2282528087 MPGQAQZNLYQVPL-JSGCOSHPSA-N 481.380 2.025 30 10 JEEE Cc1c(C(=O)N2C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282542230 HQJRAUOUCSFQLL-OAHLLOKOSA-N 462.400 2.403 30 10 JEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1nc(C)ccc1B1OC(C)(C)C(C)(C)O1 2282554961 LTXIKYNJKWPLSK-IAGOWNOFSA-N 461.368 2.053 30 10 JEEE Cn1cc(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 2282555317 RENNREAPIAPPJD-YQQAZPJKSA-N 460.384 2.095 30 10 JEEE Cc1c(C(=O)N2C[C@@H]3[C@H](CCN3C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282582796 ZKDJIXJJTBXRAM-HZPDHXFCSA-N 460.384 2.109 30 10 JEEE Cc1nc(S(=O)(=O)NCCCCCNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1C 2282878925 MGKOJONLNGPCFE-UHFFFAOYSA-N 486.444 2.001 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)[C@H](NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)C2 2283057133 SFHQLFFVWBBFDT-HRCADAONSA-N 458.368 2.151 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](O)C[C@@H]1C(=O)NCc1ccccc1B1OC(C)(C)C(C)(C)O1 2283985993 NVHPVSFPUWLBKP-PKOBYXMFSA-N 460.380 2.362 30 10 JEEE COc1cccc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H](COCc1ccccc1)C(=O)O 2284468549 DEDBAWFQEDSLST-SFHVURJKSA-N 455.316 2.394 30 10 JEEE CC1(C)OB(c2cccc(C(=O)N[C@]3(C(=O)O)CCN(Cc4ccccc4)C3)c2)OC1(C)C 2284493034 VXLAYDOQOCSBHJ-RUZDIDTESA-N 450.344 2.445 30 10 JEEE CN[C@@H](C#Cc1cccc(Br)c1)[C@@H](NC(=O)OC(C)(C)C)C1CS(=O)(=O)C1 2296272474 JRCSSCFWBAEMHT-IRXDYDNUSA-N 457.390 2.327 30 10 JEEE COCCNC(=O)N1CCC([C@H]2CN(c3ccc(C#N)c(C(F)(F)F)c3)C[C@@H]2C(N)=O)CC1 2297650978 XASQFBGRANPFLY-MSOLQXFVSA-N 467.492 2.183 30 10 JEEE COc1cc(C=Nn2c(SCC(N)=O)nnc2-c2ccccc2)ccc1OCCN1CCOCC1 2330659163 BOGLTKSIVCHOAF-UHFFFAOYSA-N 496.593 2.124 30 10 JEEE CCOc1ccc(C=Nn2c(CNC(C)=O)nnc2SCC(=O)NCc2ccco2)cc1OC 2330749961 OZDYTQPPFDVPJX-UHFFFAOYSA-N 486.554 2.205 30 10 JEEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H](C2)[C@H]1CC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2334388453 VUVUCIGLIDRATR-HZSPNIEDSA-N 464.397 2.376 30 10 JEEE COc1[nH]c(=NC[C@H](F)C2CN(C(=O)OC(C)(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2339784839 IFXSWFACYWDRNV-INIZCTEOSA-N 451.348 2.428 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@H]1C(=O)N1CCc2scc(B3OC(C)(C)C(C)(C)O3)c2C1 2361642084 TZABUWNSCURUEI-NVXWUHKLSA-N 478.420 2.472 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC3(CCN(C(=O)OC(C)(C)C)C3)C2)n1C 2362332637 OIPRUCCPCKORMD-UHFFFAOYSA-N 460.384 2.111 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1N(C(=O)OC(C)(C)C)CCC1(C)C 2362463582 XQVRIHRIRVVWQR-HNNXBMFYSA-N 462.400 2.485 30 10 JEEE CC(C)(C)OC(=O)N1CC(c2c[nH][nH]c2=NC(=O)c2occc2B2OC(C)(C)C(C)(C)O2)C1 2380489736 YSTROUTVUDPEKT-UHFFFAOYSA-N 458.324 2.310 30 10 JEEE Nn1c(N/N=C/c2cc(Cl)ccc2O)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1 21320275 KEJAYFSDCCPFHE-DNTJNYDQSA-N 462.879 2.436 30 10 JEEE COC(=O)c1[nH]c(C)c(/C(O)=C2/C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccccc2OC)c1C 102521540 XZQUHVOWEYRWOO-HUZQBFDWSA-N 455.511 2.410 30 10 JEEE COc1ccc(N2CCCC2=O)cc1S(=O)(=O)N[C@@H]1CCCN(C(=O)c2cccc(C#N)c2)C1 586078959 CHYUDDWOVBPMAO-LJQANCHMSA-N 482.562 2.277 30 10 JEEE COc1ccc(S(=O)(=O)N(CCCN2CCOCC2)Cc2ccc(C#N)cc2)cc1OC 586171503 BBUUTQRIQNKZRD-UHFFFAOYSA-N 459.568 2.489 30 10 JEEE CSc1nc(O)c(C(=O)N2CCC[C@H](NS(=O)(=O)c3cccc(F)c3)C2)cc1C#N 609203365 QGRYNXSOMXPDDL-AWEZNQCLSA-N 450.517 2.103 30 10 JEEE CC1(C)OB(c2ccc(NS(=O)(=O)CCCN3C(=O)c4ccccc4C3=O)cc2)OC1(C)C 704307427 VDYUAMLXCFRYQP-UHFFFAOYSA-N 470.356 2.414 30 10 JEEE O=C(NCC#CC(=O)N1C[C@H]2CCO[C@@]2(C(=O)O)C1)OCC1c2ccccc2-c2ccccc21 757470310 FTMCEEDQZVTEAM-QUGAMOGWSA-N 460.486 2.231 30 10 JEEE C=CCC1(C(=O)O)CN(C(=O)CNC(=O)CNC(=O)OCC2c3ccccc3-c3ccccc32)C1 757514596 FCTNLARFBOZZGW-UHFFFAOYSA-N 477.517 2.131 30 10 JEEE COC(=O)c1ccc(NC(=O)CSc2n[nH]c(NN=Cc3ccc(OC)c(O)c3)n2)cc1 1083888350 NLWFXBGBSIGVSG-UHFFFAOYSA-N 456.484 2.482 30 10 JEEE NC(=O)CSc1nnc(NC(=O)CSc2n[nH]c(NN=C/C=C\c3ccccc3)n2)s1 1084298980 ZZDRNVCZSGDTCH-NKJDMSAQSA-N 475.585 2.076 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CCN2CCC(C)CC2)c1 1286309483 KZNMUJNZHLOHCR-OAQYLSRUSA-N 463.586 2.017 30 10 JEEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1286353528 YGABRSXCKONPDP-XUVXKRRUSA-N 475.590 2.384 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccccc1OCCOC)[C@@H]1CCS(=O)(=O)C1 1286385644 OJXQENTZRFFZCF-LJQANCHMSA-N 460.600 2.276 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1286388525 QONUOCLFGAYALR-LJQANCHMSA-N 458.975 2.430 30 10 JEEE C#CCN(c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@H](C)COC)[C@@H]1CCS(=O)(=O)C1 1286389429 JYEGAAFYCQQFAH-WIYYLYMNSA-N 468.583 2.040 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(Cn2cccn2)c1 1286396892 JNVWNCJHUHUGIW-UHFFFAOYSA-N 450.506 2.291 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cccc(C(=O)NC)c1 1286445843 BZOILTRDLSVSSL-FQEVSTJZSA-N 482.585 2.454 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCOC2)n1C[C@H]1CC(=O)N(CCOC)C1 1286458170 LSGVVLQDIMEZSD-VQTJNVASSA-N 455.534 2.056 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2cc(F)cc(OC)c2)CC1 1286486083 HNXPGPSRDJXBDZ-UHFFFAOYSA-N 484.576 2.358 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H](OC)c2ccccc2)CC1 1286493513 DEQKOOBFXFQYCN-ZRBLBEILSA-N 481.597 2.356 30 10 JEEE C#CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(CCOC)[C@H](C)C1 1286504327 LRGBGDADNKXVAC-LJQANCHMSA-N 495.653 2.198 30 10 JEEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ncnc3sccc23)CC1 1286601202 IOUUPNLDQNQFNS-UHFFFAOYSA-N 470.603 2.340 30 10 JEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1CCN(Cc2ccccc2)C1 1286699648 GKLNHSRZOLFFJM-FCHUYYIVSA-N 488.658 2.288 30 10 JEEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H](C)N1CCN(CC)CC1 1286724398 HJVSSQZBYVBHSA-HXUWFJFHSA-N 453.639 2.100 30 10 JEEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1286770865 YCBXMDCXLMSAAV-LJQANCHMSA-N 472.615 2.124 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCOCC2(CC2)C1 1286814747 FXUBYEZNWACHSJ-UHFFFAOYSA-N 462.572 2.180 30 10 JEEE CN(CC1CCOCC1)c1nnc(COc2ccc(C#N)cc2)n1CCCN1CCC(O)CC1 1298585204 CXLBYVBKQZWFBF-UHFFFAOYSA-N 468.602 2.438 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(C)(C)CCOC)c1 1300334749 RZJVIMFGYUFGPD-IBGZPJMESA-N 487.626 2.299 30 10 JEEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCc1cccc(C(=O)N(C)C)c1 1300513549 XVNFLXLLHSFEQK-AREMUKBSSA-N 463.582 2.336 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(NC(=O)CCC)cc2)CC1 1300681832 CPOCUBJQWOBHJT-UHFFFAOYSA-N 486.580 2.468 30 10 JEEE C=C(Br)Cn1c(N2CCN(C(=O)[C@H]3CCCO3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1300862710 CNAQIUKVUZWXEN-UTKZUKDTSA-N 498.422 2.055 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1300892517 TWPBPSNUUFPVNG-KNKQGSTJSA-N 471.583 2.333 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCOC1 1301342194 ZPNBQSVHQBQQKF-FXAWDEMLSA-N 458.588 2.379 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](C)N2CCN(c3ccccc3)CC2)C1 1301536688 YWZLCIMMLSZEHY-GMAHTHKFSA-N 481.645 2.408 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccc(C(N)=O)cc2)C1 1301543842 PWXKQUGNBLPZBJ-HYBUGGRVSA-N 455.559 2.247 30 10 JEEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@](C)(O)c2cc(C)oc2C)CC1=O 1301890135 HUAYEHJNCJCDOQ-VWLOTQADSA-N 478.553 2.229 30 10 JEEE CC[C@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1305627184 GMVJJOZRLCQTEZ-HNAYVOBHSA-N 464.530 2.391 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(CN2CCCC2=O)n1C[C@]1(O)CCC[C@@H]1C 1316089113 AJYJDUWMJKEODB-UQBPGWFLSA-N 466.586 2.476 30 10 JEEE N#C[C@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCc2cccnc2)CCO1 1316535195 FQZIZBBYKLIUTB-IBGZPJMESA-N 451.918 2.228 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H](c1cccc(OC)c1)N(C)C)[C@H]1CCS(=O)(=O)C1 1358967263 GXSZYTWJHVFLRM-KSEOMHKRSA-N 487.626 2.068 30 10 JEEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H](c1ccc(C)o1)N1CCOCC1 1358985755 GRFPQHWUKZQBJH-NVQXNPDNSA-N 481.597 2.368 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2c(Cl)c(C(F)(F)F)nn2C)CC1 1359034816 DFHODRLJZXLSQX-CQSZACIVSA-N 471.915 2.381 30 10 JEEE C=CC1CCN(c2nnc(COc3ccc(OC)cc3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1359181778 HLIHZHFNHGKNGK-UHFFFAOYSA-N 476.599 2.208 30 10 JEEE C=CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CC(=O)N(CCOC)C1 1359245281 JFAALFDSRMTBSR-KURKYZTESA-N 462.595 2.166 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1359296070 WAAPEODXDOBOOK-MJGOQNOKSA-N 471.514 2.157 30 10 JEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N(C)Cc1ccc(N2CCOCC2)cc1 1359302725 RHVCZVLNNVDETF-UHFFFAOYSA-N 481.626 2.409 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1359303631 VVCQAOLUARLVJP-LJQANCHMSA-N 454.604 2.358 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 1359331907 KJUGZGLVFYTYFW-INIZCTEOSA-N 450.565 2.231 30 10 JEEE C=CCSCCn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1359345745 PFVJHJNGDZXHCP-QGZVFWFLSA-N 451.980 2.381 30 10 JEEE C#CCOc1ccccc1CNC(=O)C1(S(C)(=O)=O)CCN(C(=O)OC(C)(C)C)CC1 1435177695 ADKIUIQGQHKBJM-UHFFFAOYSA-N 450.557 2.129 30 10 JEEE N#Cc1ncn(-c2ccccc2NC(=O)CCNS(=O)(=O)c2ccc3c(c2)CCCC3)n1 1450835330 CVKVBHGOFATODC-UHFFFAOYSA-N 450.524 2.325 30 10 JEEE CCC[C@H](C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(N2CCNC2=O)CC1 1499986429 FSXTZENBTSFIBA-SFHVURJKSA-N 478.601 2.363 30 10 JEEE CO[C@]1(Cn2c(-c3ccc(Br)s3)nnc2N2CCO[C@@H](C#N)C2)CCOC1 1504045732 CKSSPXYNHSSTEE-SJCJKPOMSA-N 454.350 2.303 30 10 JEEE N#CC1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CC(=O)NCC(F)(F)F)CC1 1505320057 CVNXOETWHVXOJS-UHFFFAOYSA-N 460.420 2.012 30 10 JEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1507575370 FZAVQCDCRFIVRR-AZUAARDMSA-N 487.626 2.130 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H](OCC)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1507631272 NGJNWUXEARTYMT-PZJWPPBQSA-N 466.567 2.140 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1CC(C)(C)CN(C)C)[C@@H]1CCS(=O)(=O)C1 1507638447 FOUFJIWRTPNJGC-HXUWFJFHSA-N 473.643 2.380 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1nnc(CC)s1 1507662733 NLUDUDXSHKRARN-UHFFFAOYSA-N 483.623 2.121 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)N(C)C(=O)OC(C)(C)C 1507765549 SWIVJKNVGLEREZ-CKJXQJPGSA-N 468.624 2.136 30 10 JEEE C=CCn1c(-c2ccc[nH]2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)C2(CCS(=O)(=O)CC2)C1 1508055198 HTYHATWPHPOYOH-QGZVFWFLSA-N 476.603 2.368 30 10 JEEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 1508092460 YQLYZWCKOGQXFG-IBGZPJMESA-N 464.636 2.069 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1508133440 JHJPXTDOFJUOLE-QGZVFWFLSA-N 490.586 2.147 30 10 JEEE CN(Cc1ncnn1CC(F)F)c1nnc(-c2ccc(C#N)cc2)n1CCNC(=O)c1ccco1 1517187065 BUHQSUAUWSFZMC-UHFFFAOYSA-N 481.467 2.333 30 10 JEEE CO[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCCS2(=O)=O)C1 1518590448 CHLLMGDDQGCARB-UXHICEINSA-N 459.572 2.311 30 10 JEEE COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C1(c2cc(F)cc(C#N)c2)CC1 1523457091 DWVWVBAPWMPCJK-UHFFFAOYSA-N 459.499 2.397 30 10 JEEE N#Cc1ccc(N2C[C@H](C(=O)N[C@@H]3CCCN(Cc4ccccn4)C3=O)CC2=O)cc1Cl 1526849998 BDVXFJNAEHEKQG-OXQOHEQNSA-N 451.914 2.267 30 10 JEEE CC(=O)N[C@@H](C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C)c1cccc(Br)c1 1535349534 GJAKAINMMQPTTN-FZKQIMNGSA-N 457.332 2.025 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1Cc1ccc(OCC)cc1)[C@H]1CCS(=O)(=O)C1 1539211491 MSDLIULGPULNLC-IBGZPJMESA-N 453.568 2.357 30 10 JEEE C#CCN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cccc(CS(C)(=O)=O)c1 1539345244 RTOZROFYFJVGHO-HSZRJFAPSA-N 460.600 2.371 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1CCNC(=O)c1cccs1 1539390540 QRJANLZNICZVDG-GOSISDBHSA-N 466.542 2.500 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC[C@H]2C[C@H](F)C2)CC1 1539468602 GCQANVIIBRHCKZ-DRMXPCRNSA-N 461.582 2.423 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1539612783 PUBJLGGBQHXYCD-UXHICEINSA-N 473.622 2.079 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccccc2F)nnc1N1CCCN(S(C)(=O)=O)CC1 1539642813 SNFDKRQITIGMRK-AVRDEDQJSA-N 493.605 2.449 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(CC(=O)N(C)C)CC1 1539645245 MCWAVGOGDLLPBT-OHUMZHCVSA-N 488.677 2.388 30 10 JEEE C=C(C)COCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)NCC)CC1 1539759797 ZNQAKAQBSMYDBK-UHFFFAOYSA-N 453.547 2.173 30 10 JEEE Cn1cc(Oc2ccccc2C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cn1 1540647746 HZJWJODPRGKPMF-UHFFFAOYSA-N 451.508 2.231 30 10 JEEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCN(CCN2[C@@H](C)CC[C@@H]2C)CC1 1540873907 NQWDLGMIXWLPJF-SFTDATJTSA-N 457.667 2.308 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(OC)cc3)n2CC2CCS(=O)(=O)CC2)C1 1540896397 LARQWWAMSSKPPN-OAQYLSRUSA-N 476.599 2.472 30 10 JEEE CC(C)CC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(OCC(N)=O)CC1 1541492235 GAZIPCSYMOSNDM-XMMPIXPASA-N 454.575 2.475 30 10 JEEE C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCO[C@H](C#N)C2)n1CC1(S(C)(=O)=O)CC1 1541975983 DQLPYOOUSVSRTD-WMLDXEAASA-N 465.963 2.377 30 10 JEEE COCCN(c1nnc(-c2cccc(C#N)c2)n1CC(=O)N1CCOCC1)[C@@H]1CC[C@H](C)C1 1555532531 HCWUPCJTVRWXSJ-GHTZIAJQSA-N 452.559 2.317 30 10 JEEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOc2ccc(Cl)cn2)CC1=O 1555584306 DHORADHOPMJQMK-UHFFFAOYSA-N 481.944 2.239 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@@H](OCC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 1556457273 AQLWMJBGQRZJCJ-WOJBJXKFSA-N 456.543 2.191 30 10 JEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCCC[C@H]1c1nnc([C@H]2CCCO2)o1 1556845767 CBZAJFCOHCIWHD-JCGIZDLHSA-N 459.528 2.213 30 10 JEEE C#CC[C@H](CCOC)NC(=O)N(CC)[C@H](C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1565156390 IQGDLBUIBWTYKX-RTBURBONSA-N 452.596 2.304 30 10 JEEE CCN(CC)CC(=O)Nc1cccc(NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)c1 1570024933 BDDVJFUTDFGNOZ-MRXNPFEDSA-N 457.556 2.144 30 10 JEEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@H](COC(C)C)C1 1587847250 GRIVPWDBDUBGQN-SFHVURJKSA-N 450.543 2.236 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1C[C@]1(C)CCCO1)[C@@H]1CCS(=O)(=O)C1 1588034053 APGDKQJCKRDWKK-UZLBHIALSA-N 496.431 2.242 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1cccnc1OCCCC)[C@@H]1CCS(=O)(=O)C1 1588053580 FXHLUIYYWOYJKN-NHCUHLMSSA-N 487.626 2.421 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1Cc1csc(C)c1)[C@@H]1CCS(=O)(=O)C1 1588073923 FXIGWIPVPTVXFQ-OTWHNJEPSA-N 464.613 2.047 30 10 JEEE C#CCN(CC#CC)c1nnc(Cc2ccncc2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1588240906 HPHCEEZSMFLDKT-RUZDIDTESA-N 454.578 2.342 30 10 JEEE C#CCN(CC#CC)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(N2CCOCC2)CCSC1 1588251837 YIFXKAUNAJQAPO-AREMUKBSSA-N 490.633 2.400 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](c2ccc(CC)cc2)N(C)C)CC1 1588733444 STPDZJCDEABENE-JOCHJYFZSA-N 451.619 2.037 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2Cc2ccc(F)cc2F)CC1 1588892152 YBZIGYAHWKFGNO-INIZCTEOSA-N 461.513 2.294 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1595475125 AICFYPNUYIJMBQ-NYHFZMIOSA-N 458.950 2.090 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H]1c1nncn1C 1595476185 IUNSQGYTTILSKB-MAUKXSAKSA-N 454.510 2.329 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1595776574 BSCNMGCEMLEXGE-KRWDZBQOSA-N 478.962 2.469 30 10 JEEE CCCC(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCS(C)(=O)=O)C1 1614316685 DINKWGDOKKEZRS-LJQANCHMSA-N 472.615 2.384 30 10 JEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)CCN1CCN(C(=O)OC(C)(C)C)CC1 1633200387 NVODRZLZBGHQKB-GOSISDBHSA-N 452.596 2.304 30 10 JEEE C#CCN(C(=O)NCc1ncccc1S(C)(=O)=O)C1CCN(C(=O)OC(C)(C)C)CC1 1634986449 MIPJFCKZYSHROK-UHFFFAOYSA-N 450.561 2.029 30 10 JEEE C=C(C)C[C@@H](NS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1)C(=O)OC 1656406673 XLQZKXQDFKTZPO-JTDSTZFVSA-N 458.602 2.139 30 10 JEEE C#CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCNC(=O)c1ccco1 1689964820 YUCGNUDLUJWOSB-UHFFFAOYSA-N 456.547 2.485 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1690031650 SKUUDODYIBFZMY-SFHVURJKSA-N 489.502 2.042 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCOC3)n2Cc2nc(C)c(C)s2)n1 1690108955 AEUCBIYHIRLAHT-SFHVURJKSA-N 455.588 2.386 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2CCOCCOC)CC1 1690117630 POGSUVYZUHOXAI-UHFFFAOYSA-N 478.391 2.134 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@](C)(O)C2CCCCC2)CC1 1690138167 UIIYSZPPNVMVKS-IZZNHLLZSA-N 487.645 2.227 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc(CN2CCCC2=O)n1C[C@H]1CCS(=O)(=O)C1 1690603754 GWNYNEGPFIRYGZ-HXUWFJFHSA-N 457.600 2.070 30 10 JEEE CC(C)N(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1692468395 BIOPXLXAPCEZTO-JOCHJYFZSA-N 465.602 2.375 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1C[C@@](C)(O)C1CC1 1692518496 ARDVOUHSQZZIML-XMMPIXPASA-N 452.559 2.497 30 10 JEEE C[C@@H](N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCOCC2)CC1)C(F)(F)F 1692758423 GIUUFVJBNGVSOY-MRXNPFEDSA-N 464.492 2.431 30 10 JEEE Cc1nn(C)c(N2CCN(c3nnc(C(C)C)n3C[C@]3(N(C)C)CCSC3)CC2)c1C#N 1693405988 HAIIKFCYHDUENG-JOCHJYFZSA-N 457.652 2.079 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCC(=O)NC1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1705563512 YWIPJRKEEZCNEG-OAQYLSRUSA-N 499.637 2.419 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(F)cc3Br)n2CCCNC(C)=O)CC1 1705636264 DCWLYJRHNAKWEB-UHFFFAOYSA-N 463.355 2.128 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc(O)cc2)CC1 1705645392 SGLWYQVWETYJQX-VWLOTQADSA-N 467.570 2.038 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](c1cccs1)N1CCOCC1 1705667674 ZVLHDAKVJLIKNU-KGVIQGDOSA-N 492.671 2.015 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCCCN2CCCC2)CC1 1705781597 DCOUZDHGZPLWGR-OAQYLSRUSA-N 480.679 2.280 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1705897663 QXOKLDGEUAESFB-HUUCEWRRSA-N 498.481 2.364 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1705938830 KSPKQAXVFHLRPP-HXUWFJFHSA-N 474.562 2.068 30 10 JEEE CC(=O)NCC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1706044193 HVXUDEMAONQTJM-JOCHJYFZSA-N 463.586 2.428 30 10 JEEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC[C@](C)(O)c1ccccc1 1710734546 HAQIYHQTLRCXNK-CLOONOSVSA-N 476.585 2.489 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OCC)CCOC3)n2C[C@](C)(O)C(C)C)c1 1722304645 BNLJWCSTPVHPHY-DQEYMECFSA-N 469.586 2.393 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@@H](CC)OC)[C@H]1CCS(=O)(=O)C1 1722369560 AYNUHOSLQCJNNH-DLBZAZTESA-N 450.536 2.048 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1Cc1ccc(N(CC)CC)nc1)[C@@H]1CCS(=O)(=O)C1 1722372026 OEBLBYRRQBIBBM-HXUWFJFHSA-N 456.616 2.147 30 10 JEEE C=CC1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCNC(=O)C(C)C)CC1 1722576815 UVRNQYZQUOAYFO-UHFFFAOYSA-N 474.631 2.370 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCNC(=O)C1CC1 1722671877 FCDALNYSTXVJGX-SFHVURJKSA-N 460.579 2.291 30 10 JEEE C=CCOc1ccccc1Cn1c(-c2cccnc2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1722707442 PEZWXMHTMPFHOO-HXUWFJFHSA-N 468.583 2.471 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1722732075 UPYARNVQJOZJIT-GBXCKJPGSA-N 490.626 2.459 30 10 JEEE COC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(N2CCCCC2=O)CC1)OC 1730466610 CXXXNWYJOGZWPI-OAQYLSRUSA-N 452.559 2.459 30 10 JEEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC1([S@@](C)=O)CCC1 1740612551 CUTJSWKAJJVGQO-JGCGQSQUSA-N 454.644 2.013 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cn(C)c4ccccc34)n2CCOCCOC)CC1 1740704948 XOWOOECQFNUKFO-UHFFFAOYSA-N 464.570 2.066 30 10 JEEE C#CCSCCn1c(-c2cccnc2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1740715005 QHUTVGOJWICARI-UHFFFAOYSA-N 467.643 2.277 30 10 JEEE C=C(Br)Cn1c(-c2ccccc2Cl)nnc1N1CCN(CC(=O)NCCOC)CC1 1740741840 SWLAXCYJWXFUDP-UHFFFAOYSA-N 497.825 2.392 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 1740751197 ZBGSKFUJXSOGNQ-DYXWJJEUSA-N 461.607 2.419 30 10 JEEE C=CCC(C)(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1740843590 LRWNOMVKCAGWRS-SFHVURJKSA-N 474.993 2.415 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1740951646 KETZVIKYJXTHMI-HJNYFJLDSA-N 482.629 2.494 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1c(F)cccc1F)N(C)C 1748673021 YJYTUOIRSKCUIE-RLFYNMQTSA-N 451.543 2.219 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CCOc2ncccc2F)c1 1748690442 RQYZUSSYCLTZGK-UHFFFAOYSA-N 491.527 2.183 30 10 JEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(=O)c2ccsc2)CC1 1748719175 WAEOGXJLTKPMKA-IBGZPJMESA-N 475.640 2.398 30 10 JEEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C[C@H](O)COc2ccccc2)CC1 1748750786 OVZDEFMWQRKLMI-YADHBBJMSA-N 453.587 2.147 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1Cc1cnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1748809228 KWQOCLNRCZJWNG-QGZVFWFLSA-N 457.581 2.394 30 10 JEEE C#CCN(c1nnc(CC)n1CC1(N2CCSCC2)CCCCC1)[C@H]1CCS(=O)(=O)C1 1748817238 HFVMXVSVJCMILC-IBGZPJMESA-N 465.689 2.219 30 10 JEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1CC1(O)CCCCC1)[C@H]1CCS(=O)(=O)C1 1748820722 HZWPFXRBGGCWIF-NRFANRHFSA-N 486.638 2.394 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CCn1cc(Cl)cn1)[C@@H]1CCS(=O)(=O)C1 1748824218 LKXUWAFIYUEIGJ-LJQANCHMSA-N 489.001 2.342 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCN1CCN(CC)CC1 1748847941 ZALNYKDTCRQQHJ-HSZRJFAPSA-N 497.688 2.493 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCSC1 1748881553 HTWUMRZDZKHQRQ-SFHVURJKSA-N 457.625 2.411 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1nnc2n1CCCCC2 1748914901 LGKFVHPUIDONTE-UHFFFAOYSA-N 482.614 2.021 30 10 JEEE C=CCCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1749390689 HHHYTTXCYKOEBU-IAGOWNOFSA-N 456.522 2.061 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)c2ccco2)CC1 1749664324 KJWHALGNTXZPCE-UHFFFAOYSA-N 454.918 2.456 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC[C@@H](CNC(=O)c2ccccc2)C1 1749676220 JEDYCXLEWPEHJO-NRFANRHFSA-N 473.581 2.213 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](C)N(C)c2ccccc2)C1 1749713805 YVWGCXOHPONHNI-SVFBPWRDSA-N 459.616 2.486 30 10 JEEE Cc1ccc(OCCn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@H](C#N)C2)cc1 1751579778 AKEHQNPMXOKBDI-GOSISDBHSA-N 452.540 2.386 30 10 JEEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1[C@H]1C[C@H](c2ccccc2Cl)C1 1760174340 FUUWGCFOTNADSW-GPMSIDNRSA-N 463.991 2.453 30 10 JEEE C#CCN(c1nnc(CC)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C)[C@H]1CCS(=O)(=O)C1 1760186858 RKWQPIVSWYQLKO-DLBZAZTESA-N 453.609 2.017 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1Cc1cnc(C)s1)[C@H]1CCS(=O)(=O)C1 1760190498 RKCYDISDCFCYFY-SFHVURJKSA-N 471.608 2.317 30 10 JEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1(N(C)C)CCCC1 1760196898 SZOUIZJBWPTVOX-UHFFFAOYSA-N 467.643 2.494 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCCCCC2)nc1 1760232621 BMRSFOYDSKYMDN-FQEVSTJZSA-N 456.616 2.463 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2CCCNC(=O)c2occc2C)CC1 1760261806 CQGJTFYGALKYAL-UHFFFAOYSA-N 464.545 2.485 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H](C)N(C)C2CC2)CC1 1760263883 SPKUZZMMCCMEIR-AQNXPRMDSA-N 471.650 2.287 30 10 JEEE C=C1CCN(c2nnc(-c3ccccc3Br)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1760386120 LNNXNZQUZASMMY-LJQANCHMSA-N 467.389 2.414 30 10 JEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCN(Cc2ccsc2)CC1 1760525754 PYYGPUGPSJMBMD-UHFFFAOYSA-N 457.629 2.320 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1760526259 IXQQCYMWYRLJTI-QGZVFWFLSA-N 494.518 2.281 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2CCNC(=O)c2ccc(C)c(F)c2)C1 1760545037 MHMROLFGIGONNJ-GOSISDBHSA-N 451.506 2.394 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN(c2ccccc2F)CC1 1760552271 IXHZTUDJDVEBDC-UHFFFAOYSA-N 458.563 2.350 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1760554235 WOXGGWJHAFQYIY-SFHVURJKSA-N 461.588 2.024 30 10 JEEE CC(=O)N1CCN([C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CC(F)(F)F)C[C@H]2C)CC1 1760621245 FPZBCRJLLSMMLF-DNVCBOLYSA-N 461.492 2.368 30 10 JEEE CC(C)CCN(CCC#N)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(O)CCCC1(C)C 1761077645 DXKFVLDNRTUKKM-CVDCTZTESA-N 496.678 2.318 30 10 JEEE C[C@@H]1CN(CCCn2c(COc3ccc(C#N)cc3)nnc2N2CCCOCC2)C[C@@H](C)O1 1763207476 DQQDMKXEZIXEQW-WOJBJXKFSA-N 454.575 2.455 30 10 JEEE CC[C@H](C)N(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1763912503 HTKZXPFEXUJIHV-DSKINZAPSA-N 467.574 2.394 30 10 JEEE CCOC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cc(C)no2)CC1 1767290026 FFDGMECAAJORBY-UHFFFAOYSA-N 451.487 2.352 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)CN2CCN(c3nnc(-c4ccccc4)c(O)n3)CC2)nc1C 1859431045 QDKQWXSJBIUZDC-UHFFFAOYSA-N 495.565 2.113 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCNC(C)=O)[C@@H]2c2cc(OC)c(O)c(OC)c2)cc1 1862695356 DGSOUGLDQMYXQT-HXUWFJFHSA-N 470.478 2.132 30 10 JEEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccccc1C(=O)O 1862739895 JCRPVPRBRIKLNF-SFHVURJKSA-N 453.407 2.007 30 10 JEEE C=CCn1cc(OCC(=O)Nc2ccccc2)c(=O)cc1CNc1ccc(S(N)(=O)=O)cc1 1871195205 DMDGXRWIXJMCJL-UHFFFAOYSA-N 468.535 2.311 30 10 JEEE C=CCN(CC=C)c1nc(=NCCCN(C)C)nc(Nc2ccc(N3CCN(C)CC3)cc2)[nH]1 1871657383 REBRUGSYPICYCU-UHFFFAOYSA-N 465.650 2.331 30 10 JEEE C=CCN=c1nc(Nc2ccc(O)cc2)[nH]c(N2CCN(Cc3ccc4c(c3)OCO4)CC2)n1 1871717684 JDDKBJPJVFYOCJ-UHFFFAOYSA-N 461.526 2.392 30 10 JEEE CCCCCCCCN1C[C@@H](C(=O)N2CCN(S(=O)(=O)c3c(C)n[nH]c3C)CC2)CC1=O 1873010944 FCAUQVIHWZRHCC-IBGZPJMESA-N 467.636 2.068 30 10 JEEE COc1ccc(OCc2nnc(SCC(N)=O)n2/N=C/c2ccc3c(c2)OCCO3)cc1 1874292729 NVRRZPWDNMTWMN-FOKLQQMPSA-N 455.496 2.097 30 10 JEEE COc1cc(/C=N/n2c(CNC(C)=O)nnc2SCC(=O)OCC(C)C)cc(OC)c1OC 1874434877 BMOVBRIFCNJKRP-NUGSKGIGSA-N 479.559 2.114 30 10 JEEE C=CCn1c(C(=O)N(CCO)CCO)cc2c(NCCc3ccc(OCC)c(OCC)c3)ncnc21 1875230701 KPLXOGZUOLFTNK-UHFFFAOYSA-N 497.596 2.496 30 10 JEEE CC(C)N1C(=O)CS[C@@H](C(=O)NCC2(OCCO)CCSCC2)[C@H]1c1ccc(C#N)cc1 1890252148 YNEHOGDNHSYDLE-NHCUHLMSSA-N 477.652 2.343 30 10 JEEE CC(C)N1C(=O)CS[C@H](C(=O)NCc2nnnn2-c2ccc(F)cc2)[C@@H]1c1ccc(C#N)cc1 1891737616 WOFWJMBRDBIKGN-VXKWHMMOSA-N 479.541 2.383 30 10 JEEE CCCCn1c(C(=O)N(C)C2CN(c3nccnc3C#N)C2)cc2c(=O)n3ccccc3nc21 1891947337 BZARIHSQHCLEBS-UHFFFAOYSA-N 456.510 2.072 30 10 JEEE CC(C)(C)OC(=O)N1[C@H](COc2ncccc2B2OC(C)(C)C(C)(C)O2)CCS1(=O)=O 2224127836 NPSRPWGYRNZBDA-AWEZNQCLSA-N 454.354 2.099 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)NCc1sccc1B1OC(C)(C)C(C)(C)O1 2256600180 HCDRNPSKALIJDG-OAHLLOKOSA-N 452.382 2.299 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(CNC(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)s1 2256673683 FNXOYDRQPCCAFT-OAHLLOKOSA-N 454.398 2.248 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)[C@H]2C[C@@H](B3OC(C)(C)C(C)(C)O3)C2)[C@H](S(C)(=O)=O)C1 2267116416 OGFAEHUSWGDGJH-QKPAOTATSA-N 472.413 2.008 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2ccsc2B2OC(C)(C)C(C)(C)O2)CC[C@H]1CO 2267167456 GOCYAZNSRDRKTE-GOEBONIOSA-N 466.409 2.395 30 10 JEEE CC(C)(C)OC(=O)NCCc1n[nH]c(=NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)o1 2267283311 NCBLFQDZCYXYCJ-UHFFFAOYSA-N 464.353 2.172 30 10 JEEE COC(=O)[C@H](CCNC(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2267284043 XANUVKDBUYCBBV-AWEZNQCLSA-N 468.381 2.234 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2C[C@H]1[C@@H]2NC(=O)OCc1ccccc1 2267516456 DRWPMYODTJSPTF-WSTZPKSXSA-N 480.374 2.167 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2csc(B3OC(C)(C)C(C)(C)O3)c2)[C@@H]2COC[C@@H]12 2267561118 LRFITZUQVYRCNH-ARFHVFGLSA-N 464.393 2.411 30 10 JEEE C[C@@H]1CCN(C(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)[C@H](C)[C@H]1NC(=O)C(F)(F)F 2281799939 BWOJRJSRISZSPK-IOASZLSFSA-N 455.286 2.298 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@]2(CCN(C(=O)c3coc(B4OC(C)(C)C(C)(C)O4)c3)C2)C1 2281832654 QJDWMAAZFXQEBR-QHCPKHFHSA-N 462.352 2.431 30 10 JEEE Cc1nsc(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 2281974687 YJSAEBSUHSIYSZ-LCGIIJARSA-N 479.408 2.161 30 10 JEEE C[C@H]1CN(C(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)C[C@]1(C)CNC(=O)OC(C)(C)C 2282053802 XNYLPPJOHJMXRD-WNSKOXEYSA-N 462.400 2.342 30 10 JEEE CC(C)(C)OC(=O)N1[C@H](CNC(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)C[C@@H]2OCC[C@H]21 2282209970 ZTCYWUIYCGBTQH-UAGQMJEPSA-N 462.352 2.476 30 10 JEEE Cc1nc(S(=O)(=O)N2CCC[C@@H](OCc3ccccc3)C2)c(B2OC(C)(C)C(C)(C)O2)n1C 2282507159 CNPYEQBARUBSTQ-LJQANCHMSA-N 475.420 2.398 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C2(CCC2)C1 2282625349 UHKZQUMIVRPBCJ-INIZCTEOSA-N 458.368 2.438 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 2282675330 WCGPDAWWHGDQPW-DEOSSOPVSA-N 460.380 2.396 30 10 JEEE CN1CCN(C(=O)OC(C)(C)C)[C@H](CNC(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282677481 ZJEBIHLWNMZJPG-LJQANCHMSA-N 459.396 2.267 30 10 JEEE Cc1cccc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2O)c1B1OC(C)(C)C(C)(C)O1 2282688834 ZVLJGHFTRMLWAH-MSOLQXFVSA-N 460.380 2.394 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCCCCCCNC(=O)OC(C)(C)C 2282862706 HKBAMTDPBOSAIJ-UHFFFAOYSA-N 486.444 2.083 30 10 JEEE C[C@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2O)C[C@H]1NC(=O)C(F)(F)F 2282979962 HQHWZAIJZILFEI-SWLSCSKDSA-N 456.270 2.221 30 10 JEEE CC(C)(C)OC(=O)NCC1CC(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(O)cc2O)C1 2282984630 XXMRIIKXXKXLKB-UHFFFAOYSA-N 462.352 2.430 30 10 JEEE CC(C)(C)OC(=O)NC1C[C@@H]2CC[C@H](C1)N2C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2283068711 NJWAPZVTWLJECJ-MQVJKMGUSA-N 458.368 2.436 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)[C@H]1C1CC1 2283069311 QVBZDBCVERMZFJ-DOTOQJQBSA-N 458.368 2.294 30 10 JEEE COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1NC(=O)CN1CC(NC(=O)OC(C)(C)C)C1 2283953033 OJGORGDWXCYPAK-UHFFFAOYSA-N 461.368 2.142 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](O)C[C@@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2283974859 WEGBGYHNTNDSJI-GDBMZVCRSA-N 465.331 2.219 30 10 JEEE Cc1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@](C)(CO)NC(=O)OC(C)(C)C 2285951946 FASSVCHFYNVQMK-HSZRJFAPSA-N 466.359 2.439 30 10 JEEE CC(C)(C)OC(=O)N1CC(OCCNC(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2315565055 MVKWALLFBCFWKW-UHFFFAOYSA-N 452.382 2.413 30 10 JEEE CCCN(CCC)C(=O)CSc1nnc(CNC(C)=O)n1N=Cc1ccc(O)c(OC)c1 2330778408 VLMXAKMNYAIQJA-UHFFFAOYSA-N 462.576 2.251 30 10 JEEE CC(=O)NCc1nnc(SCC(=O)N[C@H](C)c2ccccc2)n1N=Cc1ccc(O)c([N+](=O)[O-])c1 2330792458 JYUBBBPGYQHWNB-CQSZACIVSA-N 497.537 2.380 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@]2(C(=O)Nc3cc(B4OC(C)(C)C(C)(C)O4)ccn3)CO[C@H]1C2 2359200730 YORDOMROMBNLEZ-PBPSECFOSA-N 459.352 2.392 30 10 JEEE CN(C[C@]1(O)CCCN(C(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C1)C(=O)OC(C)(C)C 2362508618 NRULSMRTOGNKQK-JOCHJYFZSA-N 481.424 2.276 30 10 JEEE COC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)Oc1ccc(B2OC(C)(C)C(C)(C)O2)c(OC)n1 2365379369 IEVHOCXYPCUGDN-CZUORRHYSA-N 466.340 2.223 30 10 JEEE C/C(=N\Nc1nc(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)n[nH]1)c1cccs1 20835898 RTWSWRBAGDXRDU-KEBDBYFISA-N 451.559 2.081 30 10 JEEE COc1ccc(CCNC(=O)CSc2nnc(N/N=C/c3c(C)nn(C(C)C)c3C)n2N)cc1 20911568 QHJJRHHMLIXRNI-BRJLIKDPSA-N 485.618 2.292 30 10 JEEE C=CCn1cc(/C=N/Nc2nc(SCC(=O)N(Cc3nnc(CC)o3)C(C)C)n[nH]2)cn1 59832290 OMHILYAFUUCVOT-DNTJNYDQSA-N 458.552 2.108 30 10 JEEE COc1ccc(C(=O)N=C2S[C@H]3CS(=O)(=O)C[C@@H]3N2Cc2ccc3c(c2)OCO3)cc1 254698807 DCZYNIODNOFXNH-LPHOPBHVSA-N 460.533 2.335 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(C(=O)COc4ccc(Cl)cc4)CC3)cc2C1=O 515696806 AUADYKIWVOMRBC-UHFFFAOYSA-N 467.909 2.485 30 10 JEEE C#CCn1ccc(CN(CCOC)C(=O)c2ccc(NS(=O)(=O)C(F)(F)F)c(C)c2)n1 1156618379 ODOCTYKGUAHBCD-UHFFFAOYSA-N 458.462 2.375 30 10 JEEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1286337176 XSYOIOFHKFEQRU-UHFFFAOYSA-N 482.614 2.477 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CC[C@@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1286388044 LATHDYXMTZXOLV-RTWAWAEBSA-N 453.568 2.403 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCCCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1286388181 LQYKYUMXFKOZTE-JOCHJYFZSA-N 477.594 2.429 30 10 JEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](C)N1CCC(C)CC1 1286408802 LTHGRGQQXWUKRK-HXUWFJFHSA-N 467.643 2.431 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCN(CCc2ccccc2)C1 1286448504 WNEXWGGJSIPKFA-YADHBBJMSA-N 455.628 2.204 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCCN2CCN(CC)CC2)CC1 1286475236 UDZITVCSMZTISR-UHFFFAOYSA-N 456.038 2.381 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2C[C@@H](c2cccc(OC)c2)N(C)C)CC1 1286481588 GUBOFKUSAPBGNK-DEOSSOPVSA-N 459.598 2.331 30 10 JEEE C#CCSCCn1c(N2CCN(C(=O)N3CCCCC3)CC2)nnc1[C@@]1(OCC)CCOC1 1286511661 CGWGCAYAMPSCDD-HSZRJFAPSA-N 476.647 2.025 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)CCS(C)(=O)=O 1286550135 ZITLGYCFXSIVMX-PKOBYXMFSA-N 496.033 2.324 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCC)CC1CC1 1286555941 MQGFPULMRRLSBA-AQNXPRMDSA-N 467.636 2.219 30 10 JEEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc2c(c1)OCCO2 1286688910 ULIZHSVDULUCOZ-OAQYLSRUSA-N 491.614 2.375 30 10 JEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cc(F)cc(F)c1 1286700367 LXYPXNVUEFSBQI-GOSISDBHSA-N 455.531 2.492 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCOC2)n1CCC(=O)N1CCOCC1 1286740778 WODVRUJTVLRJRB-HXUWFJFHSA-N 455.559 2.232 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C#N)o1 1286749267 OEUZYBOAZFBPAI-LJQANCHMSA-N 488.595 2.378 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC(C)(C)C)nc1 1286773926 VVFSSRBMNLWHEE-SFHVURJKSA-N 463.604 2.440 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1C[C@@H](C)O[C@H](CC)C1 1286817968 ZTUIEBPTXZUXAP-SJLPKXTDSA-N 462.572 2.321 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1286823171 LLFHZXMZBVKZOB-AUSIDOKSSA-N 476.599 2.151 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCCS(=O)(=O)C1 1286959888 BMEBJOZOLGEPQI-STQMWFEESA-N 455.382 2.456 30 10 JEEE C[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(F)(F)F)CC1)N1CCOCC1 1288606234 BDWGNXADIKHFSA-KRWDZBQOSA-N 463.508 2.222 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCOc1ccc(F)c(Cl)c1 1288825126 AYZVPGOTXREVGJ-KPZWWZAWSA-N 474.921 2.202 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccccc2Cl)n1CCS(=O)(=O)N1CCSCC1 1300527266 VVHWTMWMHBXWTF-UHFFFAOYSA-N 464.016 2.050 30 10 JEEE C#CCN(CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC1CCS(=O)(=O)CC1 1300604300 FRHGUKKEIDEUMA-UHFFFAOYSA-N 462.572 2.255 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2csc([C@H](C)OC)n2)CC1 1300708061 MJGKHJWZSZYDDR-INIZCTEOSA-N 485.639 2.237 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2CCN2CCC[C@@H]2C)CC1 1300725502 ARUIFBZFNKJQFD-FQEVSTJZSA-N 464.614 2.328 30 10 JEEE C#CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1300734186 SUCWNSOOJWHSQU-VQIMIIECSA-N 478.018 2.468 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2F)C[C@@H]1C 1300764471 WMIVQWKJCZCPCM-ZWKOTPCHSA-N 477.631 2.401 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(=O)CC2CCCC2)CC1 1300764672 ZWIMPBDTEYUWBF-HXUWFJFHSA-N 493.699 2.166 30 10 JEEE C=C(Br)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N(C)CCC(=O)NC 1300829402 BRYSEMVAAVXRKG-UHFFFAOYSA-N 468.352 2.452 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCCN(C(=O)C2CC2)CC1 1300870533 UBTUSEZOIIWFPV-NRSPTQNISA-N 461.607 2.432 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccnc2)nnc1N1CCC(C(=O)NCCOC)CC1 1300881477 OICUIBCEOWZXDS-RTWAWAEBSA-N 454.575 2.300 30 10 JEEE C=C(Cl)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1301057618 ZLALTTZQTDCDFN-LJQANCHMSA-N 469.933 2.248 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCCCN2CCCCC2)CC1 1301087110 UTLXPFVLEWSHHB-OAQYLSRUSA-N 480.679 2.424 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nc2c(s1)C[C@H](C)CC2 1301423672 BEJQBKSYXSHWPU-CVEARBPZSA-N 465.645 2.449 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@H]2CCS(=O)(=O)C2)C1 1301566892 SWKBSSGOBRKMSV-VQIMIIECSA-N 450.536 2.212 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN2CCCC[C@H]2C1 1301576297 CKIFNEXQVLKEMO-IBGZPJMESA-N 475.615 2.238 30 10 JEEE C=CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1301612853 QAQDFGHHJRQBFO-FQEVSTJZSA-N 462.664 2.226 30 10 JEEE CC(C)C(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(C(N)=O)CCOCC2)C1 1302431075 GSKTXVQQVYGVQN-HXUWFJFHSA-N 493.612 2.087 30 10 JEEE CSc1ccc(F)cc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1302652522 BPKNQJXFORQQGY-SFHVURJKSA-N 494.618 2.260 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(Cc2ccccc2)CC1 1358890850 WIBSGASUQNGWLN-QUCCMNQESA-N 457.600 2.092 30 10 JEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cn(C)nc1C(F)(F)F 1358904783 LXGOLMQXMFGDMI-CYBMUJFWSA-N 461.514 2.081 30 10 JEEE C#CCCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1358932838 YFLHVXLRUAPMPY-IBGZPJMESA-N 469.615 2.038 30 10 JEEE C#CCN(c1nnc(-c2cc(F)ccc2Br)n1CC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1358957885 CBUINUSHOBQRKL-OAHLLOKOSA-N 497.390 2.388 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCN(CCC)C1)[C@@H]1CCS(=O)(=O)C1 1358961499 ACSVFWWXEHNJGU-WOJBJXKFSA-N 456.616 2.007 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCOC1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1358963575 KIURJJUDESATSJ-RTBURBONSA-N 450.605 2.148 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@@H](OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1358967014 BMKFHXIVHGCWRM-FXAWDEMLSA-N 462.547 2.048 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CCN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1358967961 WKONXRMAWHJAKK-OAQYLSRUSA-N 471.627 2.278 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2C/C=C\CC)CC1 1359044385 DSEPEGCNWABNRI-WAYWQWQTSA-N 462.602 2.384 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C2CCCC2)CC1 1359056901 NMVNXJJUGXQCMY-GOSISDBHSA-N 451.662 2.001 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1359100803 GOERKWPTRGYPRI-OFNKIYASSA-N 488.658 2.495 30 10 JEEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1359202799 BUKOHASPXHPSNQ-ZWKOTPCHSA-N 498.650 2.071 30 10 JEEE C=CCN(C)c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1359242995 ZSSNMFZPSRNNOQ-WMZOPIPTSA-N 450.634 2.460 30 10 JEEE C=CCn1c(-c2cccc(OC)c2)nnc1N1C[C@@H]2[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1359284557 XHPZQJUBAKUFBS-CEXWTWQISA-N 489.598 2.266 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1359296672 QISBJTVYXCNIKZ-UHFFFAOYSA-N 499.641 2.268 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC[C@H](NC(C)=O)C1 1359334630 MKTYLYYTIPYNQD-IBGZPJMESA-N 470.599 2.056 30 10 JEEE CC(=O)N1CCC(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CC(=O)NC(C)(C)C)CC1 1359366743 RWFGWZVNTOUMOL-UHFFFAOYSA-N 481.601 2.338 30 10 JEEE Cc1nn(C)c(N2CCN(C(=O)[C@@](C)(O)c3ccc(F)c(Br)c3)CC2)c1C#N 1447776914 FUPWZXSXIIPOMU-IBGZPJMESA-N 450.312 2.058 30 10 JEEE Cc1cccc(CCCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@@](C)(C#N)C2)n1 1492526541 CBAHSVBQHPEYIO-REWPJTCUSA-N 487.630 2.077 30 10 JEEE CCN(CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1)C1CC1 1502188664 AGYDUQHOBJTMCK-FQEVSTJZSA-N 485.658 2.409 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccccc1CN1CCOCC1 1507516737 DJXXMVCNJVDAGU-CPJSRVTESA-N 453.587 2.269 30 10 JEEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1CC1(CN2CCOCC2)CCCCC1 1507656881 LOYDBEQBVBSCGS-UHFFFAOYSA-N 463.630 2.495 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1nccnc1C 1507670689 AFDGQEXAFCHBRF-OAQYLSRUSA-N 479.585 2.391 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(OC)c(Br)c1 1507702872 NSGWJUZWTMJBJO-UHFFFAOYSA-N 476.375 2.420 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1C[C@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C 1507710139 KESMVXFGCUQAEF-HKUYNNGSSA-N 455.563 2.467 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2(C)CC2)CC1 1507734426 MTCKSZZXZNKABR-UHFFFAOYSA-N 455.584 2.115 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccc(C(F)F)c2)CC1 1507738438 PAMNVDVCSCJPAS-GOSISDBHSA-N 456.497 2.181 30 10 JEEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1507787867 IECRCXFLFKSDOO-INIZCTEOSA-N 494.419 2.309 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc(C(=O)NC(C)C)n1CC1CCS(=O)(=O)CC1 1508020595 NNTVUZGNRLVAJY-UHFFFAOYSA-N 459.616 2.476 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1508132993 AYCGRLUJSXRPJY-HXUWFJFHSA-N 470.599 2.160 30 10 JEEE C[C@@H](CC(N)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1CC1(N2CCCC2)CCOCC1 1509967642 BEYBGCRULLWHEV-IBGZPJMESA-N 481.601 2.074 30 10 JEEE C[C@]1(C#N)CCCN(c2nnc(CNC(=O)c3cccs3)n2CC(=O)NCC(F)(F)F)C1 1510289919 GAJOPNIMLZOGKS-GOSISDBHSA-N 469.493 2.078 30 10 JEEE CC[C@@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCN1CCOC(C)(C)C1 1513023196 BQVNQUAKICLLNH-MOPGFXCFSA-N 467.622 2.279 30 10 JEEE C#CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1539089715 PPLPCIALWOSYMV-UHFFFAOYSA-N 486.580 2.381 30 10 JEEE C#CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1539096263 WBDNMIOLAPWFLR-INIZCTEOSA-N 473.603 2.237 30 10 JEEE C#CCN(c1nnc(COc2ccccc2CC)n1C[C@@](C)(O)C1CC1)[C@H]1CCS(=O)(=O)C1 1539231197 SYLRUHHKOZMHIR-GBXCKJPGSA-N 472.611 2.207 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC(=O)N1CCOCC1 1539296659 SINOVLXIUWFZLM-GOSISDBHSA-N 455.946 2.393 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@]2(N(C)C)CCSC2)CC1 1539438524 ZYNIZDUHQZIQJT-JOCHJYFZSA-N 455.588 2.046 30 10 JEEE C#CCSCCn1c(N2CCN(C(=O)N3CCCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1539531764 ZJFZMRKPDMZMQL-HSZRJFAPSA-N 476.647 2.023 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCCCO2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1539597563 YXUUSABFSYURPA-LSDHHAIUSA-N 467.368 2.195 30 10 JEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 1540858319 QQHYHGBXKUHZPY-WOJBJXKFSA-N 496.033 2.400 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(Cc2cc(C)on2)CC1 1540861708 DCUQICPQNWKTEC-UHFFFAOYSA-N 492.584 2.068 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC(c3ccc(O)cc3)CC2)nnc1[C@@]1(OCC)CCOC1 1540876639 XHKWKWXCCDQURH-XMMPIXPASA-N 455.559 2.322 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1540903008 WBSAEAFZYYSYKO-FQEVSTJZSA-N 490.586 2.355 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCc2cc(F)ccc2C1 1540907683 FAZPLDDSGPLTJA-ICSRJNTNSA-N 464.563 2.305 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCC([C@H]3CCCO3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1540908803 OEPDAXZWCMTFNB-NFBKMPQASA-N 482.647 2.315 30 10 JEEE C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1CCNC(=O)C(C)(C)C 1541131385 FAXZIYXKCVBEPE-IRXDYDNUSA-N 490.630 2.149 30 10 JEEE C#CCN(C)c1nnc(CCc2ccc(OC)cc2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1588006400 LRXHEBJZOGNASF-UHFFFAOYSA-N 464.570 2.396 30 10 JEEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1cccc(C(N)=O)c1 1588276094 ICKKKOCUIFZBHT-UHFFFAOYSA-N 465.583 2.153 30 10 JEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC(Nc3cccc(C(=O)OC)c3)CC2)c1 1588280504 BATJIEPEQRCQFD-UHFFFAOYSA-N 455.536 2.101 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCN(CC)C1 1588550331 NSIDQHGSUNNVIU-WOJBJXKFSA-N 459.591 2.301 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccn3C)n2C[C@@H]2CCCN(C(C)=O)C2)n1 1588723346 LFOBUXBTERHLNU-OAQYLSRUSA-N 478.601 2.025 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C)Oc2ccccc2F)CC1 1588733657 XSAZRZXPBIFYBQ-GOSISDBHSA-N 463.517 2.287 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc4ccccc4o3)n2CCOCCOC)CC1 1588898837 DVIRITMEELZBSH-UHFFFAOYSA-N 451.527 2.320 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCC2CCN(CC)CC2)CC1 1588930030 LLZNHNILDOIMJS-QFIPXVFZSA-N 456.635 2.260 30 10 JEEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](CN(CC)CC(F)(F)F)C1 1589708186 GDSKOZDKPVYXHT-GJZGRUSLSA-N 452.547 2.175 30 10 JEEE C=C(C)COCCn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@H](COC)C1 1593702923 APLQZIOVEKPIKQ-INIZCTEOSA-N 454.369 2.490 30 10 JEEE C=C(C)COCCn1c(-c2cc(Br)cn2C)nnc1N1CCNC(=O)[C@@H]1CC 1593704296 UQZLULONARUADA-HNNXBMFYSA-N 451.369 2.354 30 10 JEEE C=C(Cl)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](C(N)=O)C1 1593884141 CSIIANGWEPONCA-LSDHHAIUSA-N 454.959 2.041 30 10 JEEE C=C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1594024659 ZCMFFIULBXTUTE-DRBGZVQYSA-N 456.547 2.002 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(F)(F)CNC(=O)OC(C)(C)C)CC1 1594097065 LNEJSJZQXKTMFK-OAHLLOKOSA-N 475.562 2.497 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1C[C@H](C)[C@@H](C)C1 1595766833 YNBCHCBDWOPFNK-HOTGVXAUSA-N 480.660 2.240 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1595778050 UZRIFODUSOUDJH-GOSISDBHSA-N 485.614 2.429 30 10 JEEE CCOC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1616000997 IFHRTNMYFOBRJC-OAQYLSRUSA-N 495.584 2.266 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]32)s1 1627011327 RCDICLJEECKWTB-GDBMZVCRSA-N 455.602 2.223 30 10 JEEE C#CCn1ccc(CN(CCOC)C(=O)c2cc3n(n2)CCC[C@H]3NC(=O)OC(C)(C)C)n1 1634600907 DRJSSHDCMATYCE-GOSISDBHSA-N 456.547 2.361 30 10 JEEE CCOC(=O)c1c(NC(=O)N2CCc3c(cccc3S(=O)(=O)NC)C2)c(C#N)cn1CC 1672409907 DTMNJNPQMBFPDL-UHFFFAOYSA-N 459.528 2.055 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2CC2([S@](C)=O)CC2)c1 1689871744 DIRUCNDARPXECW-XIFFEERXSA-N 462.579 2.231 30 10 JEEE C#CCN(c1nnc(Cc2c[nH]c3ccccc23)n1CC(C)(C)C(=O)NCC)[C@H]1CCS(=O)(=O)C1 1689993311 APBJBKCONAROSY-IBGZPJMESA-N 496.637 2.139 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@H](c1ccco1)N1CCCCC1 1690092607 OEXCWLKCXXUUGE-HXUWFJFHSA-N 454.575 2.420 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCCCSC)CC1 1690123984 BSCLRYJWVGCVCT-LJQANCHMSA-N 478.663 2.485 30 10 JEEE C=C(C)COCCn1c(C(C)C)nnc1N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 1690301305 RKDSYRCRRLOKKV-UHFFFAOYSA-N 457.604 2.386 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCC(F)(F)C2)CC1 1690411181 HEDJUXDTMRUQBI-DLBZAZTESA-N 459.563 2.449 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc(-c2cccnc2)n1CC1(O)CCS(=O)(=O)CC1 1690563661 ZOHJWCUMSWEMDX-UHFFFAOYSA-N 453.568 2.472 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(C(=O)N(C)C)c2)C1 1690684495 GSIJTLJWXSFJPP-HXUWFJFHSA-N 452.559 2.046 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](c2nc(CC)cs2)C1 1690722916 AQNGLAHXBORGIY-DOTOQJQBSA-N 478.644 2.233 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C 1690730176 ZIVNJPWALHKMSA-SFHVURJKSA-N 489.642 2.422 30 10 JEEE CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCN(C(C)C)C2)CC1 1697010969 FADQBNCCSRVHRJ-HXUWFJFHSA-N 450.591 2.399 30 10 JEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ncccc1N(C)C 1705552324 XSHDDMCCTNLNPJ-LJQANCHMSA-N 455.563 2.165 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCCc1cccc(C)n1)[C@@H]1CCS(=O)(=O)C1 1705568361 LZIDCNMUQWZDIZ-JOCHJYFZSA-N 481.626 2.103 30 10 JEEE C#CCN(c1nnc(CN2CCCC2=O)n1CC(C)(C)c1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1705569082 YXLUNEZSCNZCJQ-HXUWFJFHSA-N 499.637 2.014 30 10 JEEE C#CCN(CC#CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCC1(O)CCC1 1705600730 KRMRQOGJBOTTHT-UHFFFAOYSA-N 460.626 2.411 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccn3C)n2C[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 1705637698 IQBBDVLIPZHKBX-LJQANCHMSA-N 453.591 2.438 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)Oc1ccccc1C 1705674698 OKVVNZYCWIHHAR-XZDHIHRUSA-N 487.626 2.379 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1705709452 PNGOOPGRIGGSHM-SIKLNZKXSA-N 471.606 2.176 30 10 JEEE C=CC1CCN(c2nnc(C(=O)NC(C)C)n2CC[C@@H](N2CCOCC2)C(F)(F)F)CC1 1705775470 ACFDRDXAYKOPPB-QGZVFWFLSA-N 458.529 2.472 30 10 JEEE C=CC[C@@H](Cn1c(N2CCN(C(=O)Cn3cnnn3)CC2)nnc1C(C)(C)C)c1ccccc1 1705798165 LTPCRGBNYCCYHY-FQEVSTJZSA-N 463.590 2.271 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1C[C@H](C)N1CCOCC1 1705857309 CRKXCBWGXPPVCW-FQEVSTJZSA-N 463.586 2.299 30 10 JEEE C[C@H]1C[C@H](C)CN(CCCn2c(-c3cccc(C#N)c3)nnc2N(C)CC(=O)N2CCOCC2)C1 1707971936 HGFSDPFDFWCPOQ-SFTDATJTSA-N 479.629 2.480 30 10 JEEE COCCC1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@@H](C)CC#N)CCCCC1 1712338011 AASBJIRUDVCQBY-RBUKOAKNSA-N 482.651 2.336 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCCOCC1CC1)[C@H]1CCS(=O)(=O)C1 1722360599 VLPDFQLSIBDFGI-NRFANRHFSA-N 453.568 2.260 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1ccnc(C(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 1722362922 WYGXBCVVVILNQD-MRXNPFEDSA-N 476.484 2.429 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1Cc1ccc(F)cn1)[C@@H]1CCS(=O)(=O)C1 1722363495 AABNNIGUQPXMLV-OAQYLSRUSA-N 453.543 2.386 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCCN2CCOC2=O)CC1 1722440727 CSRJANVTMUDHSO-UHFFFAOYSA-N 452.559 2.071 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCc2ccn(C)n2)CC1 1722450027 UODKZFAYNDOIKC-UHFFFAOYSA-N 475.597 2.416 30 10 JEEE C=CCCCn1c(-c2cccn2C)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1722613795 PZDJKLFRHNDTPF-LMMKCTJWSA-N 490.630 2.376 30 10 JEEE C=CCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1722684653 LCQRARXZUBBQAX-LJQANCHMSA-N 491.614 2.169 30 10 JEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1722739231 TTXLURNXJLBZMT-OALUTQOASA-N 479.676 2.224 30 10 JEEE Cc1ccc([C@H](Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@@H](C#N)C2)N(C)C)cc1 1724262233 GSZFWAFRRNXEKP-PMACEKPBSA-N 460.542 2.266 30 10 JEEE CO[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1729841206 HDQWEUKRBPJSIR-SFHVURJKSA-N 492.584 2.144 30 10 JEEE CS[C@@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1731037518 GMFXDBOERTYFJB-INIZCTEOSA-N 462.583 2.389 30 10 JEEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(CN2CCC(O)CC2)cc1 1740600133 ITOXKWUSXZZCOY-VWLOTQADSA-N 453.587 2.005 30 10 JEEE C#CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1740605225 PNBOAPMXNNTSPZ-OAHLLOKOSA-N 482.404 2.210 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@@H]1CSCCS1)[C@@H]1CCS(=O)(=O)C1 1740618956 DTCREEJBTROJJX-IEBWSBKVSA-N 478.665 2.429 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1740621848 ZRKGENYYYDLASS-HXUWFJFHSA-N 468.583 2.176 30 10 JEEE C#CCN(c1nnc(COCC)n1C[C@H](CC)N1CCc2ccccc2C1)[C@H]1CCS(=O)(=O)C1 1740627255 FTRGNWMFCNOECU-GOTSBHOMSA-N 485.654 2.278 30 10 JEEE C#CCN(CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@H]1CCCS(=O)(=O)C1 1740663031 VWKIFWMGSCFGMD-INIZCTEOSA-N 462.572 2.255 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1740993070 SEGOOAWCHBLEQJ-UHFFFAOYSA-N 491.621 2.371 30 10 JEEE CO[C@]1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C(=O)NC(C)(C)C)CC2)CCOC1 1748504907 GUCHNAWSWIKYCU-VWLOTQADSA-N 497.600 2.164 30 10 JEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2ccsc2)CC1 1748699332 NWOVSDPGJBRTMB-QGZVFWFLSA-N 450.634 2.076 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1749006497 PQVFTMSURVAMJV-HXUWFJFHSA-N 478.597 2.178 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CC(C)(C)COC)CC1 1749010421 RONOMWBHTALSJV-UHFFFAOYSA-N 494.644 2.091 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CCN(C)C(=O)OC(C)(C)C)CC1 1749016634 IETSNINQKQNACH-UHFFFAOYSA-N 481.601 2.097 30 10 JEEE C#CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(CC(=O)NC2CC2)CC1 1749026562 MPCNQYUFGVFJDY-UHFFFAOYSA-N 489.045 2.374 30 10 JEEE C=C(Br)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H]1c1nncn1C 1749083037 AVDKAEOMPYAFJL-ZDUSSCGKSA-N 458.324 2.304 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccccc2OC)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1749133176 IRFSSSFIZZBOMP-UECWXEIQSA-N 470.570 2.219 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCC(CNC(C)=O)CC2)nnc1[C@@]1(OCC)CCOC1 1749140368 OLDYBWKHJPWBQE-AWRGLXIESA-N 461.607 2.264 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN2CCCC[C@H]2C1 1749650037 HMETZQYRQRQSDS-FQEVSTJZSA-N 451.575 2.124 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1749655990 WGJVIJLUHXOXMQ-GKVSMKOHSA-N 498.584 2.368 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@H]1c1nncn1C 1749657578 BGZQEZPKEKFQRE-INIZCTEOSA-N 456.938 2.379 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H]1CSC 1749668931 GQJKLGOZWKBZIB-IAGOWNOFSA-N 480.635 2.221 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(Cc2cc(C)on2)CC1 1749677626 GGKJWWNRAXAACS-UHFFFAOYSA-N 479.585 2.395 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(c2ccccc2F)CC1 1749729316 GQPMNLXWUIVLPE-UHFFFAOYSA-N 456.547 2.407 30 10 JEEE CC(C)COc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)cc1 1750853486 HVAREUMKTPKBCI-HRAATJIYSA-N 464.567 2.413 30 10 JEEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(CN2CCC(O)CC2)cc1 1760177730 MWZYXPOGPKVHHW-UHFFFAOYSA-N 478.622 2.344 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCC[C@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1760189818 WWXHCSJNFQUJRO-ZCNNSNEGSA-N 450.605 2.496 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OC)n2CCc2nccnc2C)CC1 1760273602 ZXBUCDFLJJJSNJ-UHFFFAOYSA-N 489.580 2.173 30 10 JEEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1760380483 DNAMFLCBWUUWAW-RYRKJORJSA-N 458.954 2.131 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)c1ncc(C)s1)C1CC1 1760476900 JQTGHRZMHSDFMF-PBHICJAKSA-N 466.633 2.334 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)c1c(C)noc1C 1760495691 URONNZMFGJCSNS-QAPCUYQASA-N 464.592 2.198 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)[C@@H](C)C1 1760532938 JSZBURWPBHYBNU-UEXGIBASSA-N 475.615 2.316 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC[C@H]2COCCO2)C1 1760535214 NBOIWKPBFDXHOD-UXHICEINSA-N 475.977 2.448 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC(Nc2cccc(C)c2)CC1 1760548761 ORGOTCFOUPETRF-UHFFFAOYSA-N 474.631 2.406 30 10 JEEE C=CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1760563598 WRAHSNYZHFCMOF-HNNXBMFYSA-N 465.601 2.063 30 10 JEEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCO[C@@H](C)C2)C1 1765671253 CIMFRZUYQXZVSQ-XKGZKEIXSA-N 458.588 2.150 30 10 JEEE CNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2C[C@H](C)O[C@@H](C)C2)CC1 1769233581 FXIXVPYDHGYLRG-PMACEKPBSA-N 495.628 2.190 30 10 JEEE CCN(CC)CCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CN1CCN(C(C)=O)CC1 1870349153 CHQPOKHXIJJHII-UHFFFAOYSA-N 465.598 2.305 30 10 JEEE C=CCn1cc(OCC(=O)OC2CCCCC2)c(=O)cc1CN1CCN(c2ncccn2)CC1 1870574695 ZMFRUUZDXDBVKK-UHFFFAOYSA-N 467.570 2.401 30 10 JEEE C=CCn1cc(OCC(=O)N=c2nc3nc(C)cc(C)n3[nH]2)c(=O)cc1CNc1ccc(F)cc1 1870853461 ZQYXHJBEBDMECQ-UHFFFAOYSA-N 477.500 2.279 30 10 JEEE C=CCN(CC=C)c1nc(=NCCc2ccc(S(N)(=O)=O)cc2)[nH]c(=Nc2cccc(F)c2)[nH]1 1871547630 UPOAMSMCVCJGGQ-UHFFFAOYSA-N 483.573 2.079 30 10 JEEE C=CCNC(=O)c1cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc2n1CCOC 1873590527 WVGNEOMKLAPNFK-UHFFFAOYSA-N 450.543 2.329 30 10 JEEE CC(=O)Nc1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)N2CC[C@@H](Oc3cc(C#N)ccn3)C2)cc1 1891176828 YOMQMBSQSYLVSX-IFMALSPDSA-N 497.577 2.135 30 10 JEEE CN(CC#CCNC(=O)[C@H]1CCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1)Cc1ccccc1 1891960592 LICUVYRLXNGRSV-HSZRJFAPSA-N 484.578 2.390 30 10 JEEE O=C(CCCCCCn1cnc2c(N3CCOCC3)nc(-c3cccc(CO)c3)nc21)NO 2060439527 JBFFDSGEOZGWCK-UHFFFAOYSA-N 454.531 2.278 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](C(=O)NCCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)C1COC1 2180968590 RECZDZAEABUHOY-LJQANCHMSA-N 460.380 2.184 30 10 JEEE C=CCC1(NC(=O)[C@@H]2[C@H](O)[C@@H](O)CCN2C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)CC1 2200963985 NSMIYLBWDUAZCS-OKZBNKHCSA-N 483.606 2.180 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1C[C@@H](NC(=O)OCc2ccccc2)C1 2255830100 AJWYALYOUBUCDH-HDICACEKSA-N 468.363 2.215 30 10 JEEE CC1(C)OB(c2cncnc2C(=O)NC2CCN(C(=O)OCc3ccccc3)CC2)OC1(C)C 2255871522 WAYQNSGYSWKARC-UHFFFAOYSA-N 466.347 2.307 30 10 JEEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)[C@@H](CO)CNC(=O)OC(C)(C)C 2256679302 WBQIPHQYPAWTMT-CQSZACIVSA-N 454.398 2.139 30 10 JEEE Cc1nc(I)c(I)n1Cc1csc(C(N)=NO)n1 2258712529 PLGFTQDVMLAIOD-UHFFFAOYSA-N 489.080 2.000 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H]1NS(=O)(=O)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2267471015 PVRKKBAJKYMHFD-SJLPKXTDSA-N 466.409 2.318 30 10 JEEE CCc1nn(C)c(C(=O)NC[C@@H](CC)NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267508963 NKIDORSHCGLRMZ-CQSZACIVSA-N 450.389 2.315 30 10 JEEE CC(C)(C)OC(=O)NC[C@]1(F)C[C@@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2267511853 JBPVYAFOIDYQHD-IPVJXJPOSA-N 452.336 2.082 30 10 JEEE Cc1csc(C(=O)NC2(C(=O)O)CN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267537666 JODGKNQVZCDEOP-UHFFFAOYSA-N 466.365 2.160 30 10 JEEE CO[C@@H]1C[C@@H](CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)N(C(=O)OC(C)(C)C)C1 2267555680 QRQFGIBWGZAPRP-LSDHHAIUSA-N 450.341 2.333 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C[C@@H]1CO 2267616397 SHSASPWUDZDEIJ-CABCVRRESA-N 466.409 2.395 30 10 JEEE C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2sc(B3OC(C)(C)C(C)(C)O3)cc2C1 2268638178 HZIAFFGGQVXTKB-CXAGYDPISA-N 466.409 2.206 30 10 JEEE C[C@@H](NC(=O)COC1CN(C(=O)OC(C)(C)C)C1)c1nscc1B1OC(C)(C)C(C)(C)O1 2268705073 GCBNIQYPMIVNHG-CYBMUJFWSA-N 467.397 2.255 30 10 JEEE CC1(C)OB(c2csnc2C(=O)N2CC(COCc3ccccc3)(C(=O)O)C2)OC1(C)C 2269023029 SWAXKTWANQESQW-UHFFFAOYSA-N 458.345 2.186 30 10 JEEE CC1(C)OB(c2cccc(N3CCO[C@@]4(CCCN(C(=O)C(F)(F)F)C4)C3)n2)OC1(C)C 2281499674 MHFXGXQQBDDULI-FQEVSTJZSA-N 455.286 2.141 30 10 JEEE Cc1c(C(=O)N(C)C[C@H]2CCCN2C(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281795996 IYRJODYAPAAFCO-MRXNPFEDSA-N 462.400 2.499 30 10 JEEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)N(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)C1 2281976534 CSBZAGDILUVICB-CVEARBPZSA-N 462.400 2.437 30 10 JEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1CCNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2282025115 KNUDJRJMSBHOGO-HOTGVXAUSA-N 460.384 2.399 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2CN(C(=O)c3ncncc3B3OC(C)(C)C(C)(C)O3)C[C@]2(C)C1 2282188235 SQEHAOSULBDWPQ-IQMFZBJNSA-N 458.368 2.105 30 10 JEEE CC1(C)OB(C2(C(=O)N3CC(O)(C4CCN(C(=O)C(F)(F)F)CC4)C3)CCC2)OC1(C)C 2282491502 YKXODALKVQWTNW-UHFFFAOYSA-N 460.302 2.377 30 10 JEEE CC[C@H](CN(CC)S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2282493411 WENGHVWEDIOTAU-OAHLLOKOSA-N 486.444 2.033 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC(CNC(=O)OC(C)(C)C)C1 2282494105 XGAVFMYARJDIQK-UHFFFAOYSA-N 482.408 2.140 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2282534876 XVFVULOXOLOIHP-RDJZCZTQSA-N 460.384 2.191 30 10 JEEE Cc1nn(C)c(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC23CC3)c1B1OC(C)(C)C(C)(C)O1 2282561696 LQVDFLZANIINKN-OAHLLOKOSA-N 460.384 2.157 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1[C@@H]2CCCN(C(=O)OC(C)(C)C)[C@@H]21 2282590262 YSGFYUGTLUSLBX-UAGQMJEPSA-N 460.384 2.330 30 10 JEEE Cc1c(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]3C[C@H]23)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282599050 NLPSKZAQFZHMHA-BZUAXINKSA-N 460.384 2.155 30 10 JEEE C[C@@H]1CCN(C(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)[C@H](C)[C@H]1NC(=O)C(F)(F)F 2282671589 XFRFLFIDSODCFQ-IOASZLSFSA-N 455.286 2.298 30 10 JEEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1CCC(C)(C)N1C(=O)OC(C)(C)C 2282681245 VTIVCFBXYWHCJS-CQSZACIVSA-N 463.388 2.022 30 10 JEEE Cc1ccc(C(=O)N2C[C@@H](O)C[C@H]2CNC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2282688044 OKWYNRQGNOQBCJ-ROUUACIJSA-N 460.380 2.394 30 10 JEEE Cc1cccc(C(=O)N[C@@]2(CO)CCN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2282691838 PASVNWKZXUOUQE-DEOSSOPVSA-N 460.380 2.396 30 10 JEEE CS[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282832553 APDXFMXOAQOULL-IRXDYDNUSA-N 499.464 2.010 30 10 JEEE COCC[C@H](CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1O)NC(=O)OC(C)(C)C 2282973205 ZMTWSBRCUNGPQO-MRXNPFEDSA-N 464.368 2.351 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(O)cc1O 2282988240 OUCQRHRDIFMRJE-KBPBESRZSA-N 460.336 2.231 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2C[C@@H](NC(=O)c3nccnc3B3OC(C)(C)C(C)(C)O3)C[C@@H]21 2283068321 LFJKQTYBCWCDJH-XUWVNRHRSA-N 458.368 2.197 30 10 JEEE CN(Cc1ccccc1)C[C@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1F)C(=O)O 2284422581 FAEYENQMUVAZIL-FQEVSTJZSA-N 456.323 2.440 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)NCC1CCN(C(=O)C(F)(F)F)CC1 2285206408 ONUBGXFLNYBEIA-UHFFFAOYSA-N 455.286 2.220 30 10 JEEE C[C@H](C#CC(=O)NC[C@]1(O)C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C 2318687466 HIRSTIBQLARUFD-JGDUNROCSA-N 451.564 2.312 30 10 JEEE C=CCOc1ccccc1OCc1nnc(SCC(N)=O)n1N=Cc1ccc(O)c(O)c1 2326458325 VZAFQOWZXYKNQY-UHFFFAOYSA-N 455.496 2.293 30 10 JEEE CC(=O)NCc1nnc(SCC(=O)Nc2ccccc2F)n1N=Cc1ccc(C(=O)O)cc1 2330718707 RHIHVUMJXWHBFX-UHFFFAOYSA-N 470.486 2.365 30 10 JEEE COCC1(NC(=O)OC(C)(C)C)CC(NC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C1 2337396853 SXEOIGJKRRWCHD-UHFFFAOYSA-N 467.397 2.244 30 10 JEEE Cc1cc(CNS(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)cc(B2OC(C)(C)C(C)(C)O2)c1 2343679350 CGIAFCOGMOZNED-UHFFFAOYSA-N 498.410 2.400 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1[C@@H]2[C@@H]1CCCCN2C(=O)OC(C)(C)C 2362356080 NYLGHUQNFYSFBI-OAGGEKHMSA-N 460.384 2.237 30 10 JEEE CCOC(=O)[C@@H]1CCCN(c2nc3c(c(=O)[nH]2)[C@@H](c2ccc(Cl)cc2)[C@@H](C#N)C(=O)N3)C1 72445749 BFZMMXWLICLJDQ-BMFZPTHFSA-N 455.902 2.427 30 10 JEEE C=CCN(CC(=O)O)C(=O)c1cc(I)cc(I)c1O 98031971 QVNKAHJCLIRSNI-UHFFFAOYSA-N 487.031 2.314 30 10 JEEE CC(C)(O)CC[C@H](O)[C@](C)(O)[C@@H]1CC[C@]2(O)C3=C/C(=N/O)[C@@H]4C[C@H](O)[C@H](O)C[C@]4(C)[C@@H]3CC[C@]12C 504242626 CBQFTGKSOCYQEV-ZNVIEJQFSA-N 495.657 2.115 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)C[S@@](=O)CC(=O)Nc2cccc(C(C)=O)c2)nc1C 586291469 AODPVXSKNIXODA-HKBQPEDESA-N 463.537 2.323 30 10 JEEE CCNS(=O)(=O)c1ccc(NC(=O)CSc2n[nH]c(NN=Cc3ccc(F)cc3)n2)cc1 1084001178 XNWUUHSASZEUPY-UHFFFAOYSA-N 477.547 2.419 30 10 JEEE C#CCCCn1c(-c2ccccc2F)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 1286345396 ZRGPAFDUKFCMLB-UHFFFAOYSA-N 463.579 2.374 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1CCC(=O)N[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1286391858 FCZRFVVZBVXNLZ-TZIWHRDSSA-N 471.627 2.109 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1c[nH]c2c(C)cccc12 1286419563 AULNTRHMZLVSET-SFHVURJKSA-N 452.584 2.384 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C 1286467863 VLAWSTXRTLENTO-IPMKNSEASA-N 466.648 2.496 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2C[C@@H]2CC(=O)N(CCOC)C2)CC1 1286471198 HMVQAUVBXZDUCS-DHIUTWEWSA-N 494.640 2.285 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(F)ccc3Br)n2CC(=O)N(C)CC)CC1 1286473940 WKZFMEBXYNJKCK-UHFFFAOYSA-N 463.355 2.080 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(F)ccc3Br)n2CC[S@@](=O)CC)CC1 1286474044 XZLNCMCDZICKBY-NDEPHWFRSA-N 468.396 2.371 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN1CCOC(C)(C)C1 1286569575 VKFFILAMTMMMLS-UHFFFAOYSA-N 451.579 2.434 30 10 JEEE C=C(Cl)Cn1c(COc2ccccc2OC)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1286636546 XROQVFRQNGOONB-QFIPXVFZSA-N 474.949 2.433 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1286793407 XILYYJUDWCYWTH-LJQANCHMSA-N 456.616 2.486 30 10 JEEE Cc1ncsc1CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1289184078 HFPUERWGVSNYEV-GOSISDBHSA-N 472.596 2.360 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CC1(N(C)C)CCOCC1)[C@H]1CCS(=O)(=O)C1 1300489152 JPQROTXFQBXYGK-FQEVSTJZSA-N 492.045 2.336 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1cc(F)ccc1OC)[C@H]1CCS(=O)(=O)C1 1300490892 CRLQZLUIYHUFHC-IBGZPJMESA-N 469.542 2.471 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@](C)(O)CCC 1300560491 AEXULZKMJSUYCS-HSZRJFAPSA-N 457.600 2.209 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H](C)Oc2cccc(OC)c2)CC1 1300685029 DPQKRJBPCGLEJH-NBGIEHNGSA-N 469.586 2.162 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2SCCc3ccccc32)CC1 1300711068 RWGYLZOSAZIYDP-NRFANRHFSA-N 480.638 2.413 30 10 JEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1300731726 HOGHCHJKJIXYSA-UHFFFAOYSA-N 453.494 2.154 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(NC(=O)NC(C)C)cc1 1300780632 VLFVWYUOXVCBGU-UZUQRXQVSA-N 487.630 2.459 30 10 JEEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC=C(C(F)(F)F)CC1 1300831440 YYYXVQJYCGBRKH-JTQLQIEISA-N 458.304 2.496 30 10 JEEE C=CCN(c1nnc(-c2cc(Br)cn2C)n1CCCNS(C)(=O)=O)C1CC1 1301315863 CXWLGRJBAPUBPE-UHFFFAOYSA-N 457.398 2.140 30 10 JEEE COCC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1301439333 FCEGRUPASRCULV-VWLOTQADSA-N 481.601 2.332 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)C1 1301535540 LUUXCGDXFDWNGN-SLFFLAALSA-N 460.623 2.183 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@H](COCC)C1 1301576565 DVAQZEZWVRCYDK-KRWDZBQOSA-N 462.572 2.180 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1301586538 NMYBFMSVVKCNNO-UHFFFAOYSA-N 494.621 2.022 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CCOC2(CCOCC2)C1 1301593952 YSDQWJFLPGXNBO-UHFFFAOYSA-N 476.599 2.152 30 10 JEEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 1301595170 OYKKWUCNJKWPNG-MSOLQXFVSA-N 498.719 2.282 30 10 JEEE Cc1nnc(CCn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)s1 1304778273 GNVWQYRXOWERRU-KRWDZBQOSA-N 457.585 2.233 30 10 JEEE C[C@@H](C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1)N1CCC(Oc2cccc(C#N)c2)CC1 1307462432 DYHJOIGNDCNRIT-SJORKVTESA-N 456.568 2.315 30 10 JEEE CCN(CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H](C)C#N)CCC(F)(F)F 1313812958 AOIJSVNIRRBZQY-CABCVRRESA-N 450.531 2.050 30 10 JEEE CCOCC(C)(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@@H](C#N)C1 1314284267 CEFFBKDFHIFVTO-IBGZPJMESA-N 454.579 2.244 30 10 JEEE COc1ccc(OCc2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)cc1 1315533652 FSCVKNXQUKNQDL-WZONZLPQSA-N 488.614 2.277 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCc1nc(C)c(C)s1)[C@H]1CCS(=O)(=O)C1 1358961551 ASXZKZBMIXLOHW-ZWKOTPCHSA-N 463.629 2.462 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@H](OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1358966495 QCJPSSFUWOVJRC-FPOVZHCZSA-N 458.584 2.217 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CC1(N(C)C)CCC1)[C@H]1CCS(=O)(=O)C1 1358967365 JBMMMEYDZBJFNT-IBGZPJMESA-N 475.590 2.107 30 10 JEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(C)(C)N1CCC(OC)CC1 1358975952 KZKZUPYMLPAROM-UHFFFAOYSA-N 497.669 2.200 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1nc(C)cs1 1359025449 OYUVGLRMGGHNJB-QGZVFWFLSA-N 476.603 2.486 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3)n2CC(=O)NCc2ccco2)CC1 1359031396 AECRIYKCMOEYMG-UHFFFAOYSA-N 483.370 2.372 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2CC2(S(C)(=O)=O)CCCC2)CC1 1359037140 XCWRFRYLKDDVNZ-UHFFFAOYSA-N 459.591 2.121 30 10 JEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 1359135980 VDISTVIZXNHGNS-QZTJIDSGSA-N 462.595 2.343 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1 1359306516 JAKGZFLEOWXOAM-GOSISDBHSA-N 458.950 2.048 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1359334361 CLSBAXZNMXZQLK-UHFFFAOYSA-N 489.642 2.461 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1359334890 UBAPRMUTEPSVLO-UHFFFAOYSA-N 473.643 2.359 30 10 JEEE C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1)Oc1ccc(F)cc1 1360534407 FSDQTIHEEDAMBW-GJZGRUSLSA-N 450.540 2.235 30 10 JEEE C#C[C@@H](NC(=O)CNS(=O)(=O)c1ccc(C(=O)OCC)cc1)c1ccc(Cl)cc1F 1467935713 ZUJOVRXPJVFRQU-GOSISDBHSA-N 452.891 2.425 30 10 JEEE C#CCCCn1c([C@H](C)CC)nnc1N1C[C@@H]2[C@H](C1)[C@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1507575212 RCORTLHIFMUEJU-BRSBDYLESA-N 465.620 2.332 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccc(Cl)cc1F)[C@H]1CCS(=O)(=O)C1 1507632226 JYQRXXLPQBIUJB-RDJZCZTQSA-N 452.939 2.250 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1ccc(C(C)(C)O)cc1)[C@@H]1CCS(=O)(=O)C1 1507634843 NQWREOZSXUHDTH-JOCHJYFZSA-N 479.606 2.166 30 10 JEEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1507760188 VZCAKWGCTFTCBP-TZIWHRDSSA-N 497.669 2.384 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2c(c1)CCCO2 1507820558 HDTFVQITJXVIFY-NRFANRHFSA-N 475.615 2.387 30 10 JEEE C=C(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1507824232 XUQFVTKVSZJKOR-UHFFFAOYSA-N 481.022 2.298 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C)CNC(=O)OC(C)(C)C)CC1 1507885211 VAPZEKUAXJOWMB-IAGOWNOFSA-N 453.609 2.497 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC([C@@H](O)c2ccc(F)cc2)CC1 1508070657 ASFCDLQJGMWTGM-QFIPXVFZSA-N 493.543 2.317 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc2c(c1)C(=O)NCC2 1509945250 BYWDJKVVPXWQNB-HNNXBMFYSA-N 463.567 2.342 30 10 JEEE Cc1ccc(C(=O)NCCn2c(C(=O)Nc3ccccn3)nnc2N2CC[C@@](F)(C#N)C2)cc1 1510694539 FBWSVAXVVWBMHK-HSZRJFAPSA-N 462.489 2.106 30 10 JEEE Cc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CC[C@](F)(C#N)C2)c(O[C@H]2CCOC2)c1 1510860983 FUPRHWVGJKEGKX-MBSDFSHPSA-N 456.522 2.383 30 10 JEEE Cc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCn2cc(Br)cn2)n1 1511137081 DHXFUGYMEMDAEQ-MRXNPFEDSA-N 457.336 2.427 30 10 JEEE Cn1cc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2CCNC(=O)Cc2cccc(F)c2)cn1 1517369007 DXXWTYZRQHUNFT-HSZRJFAPSA-N 450.522 2.307 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OCCC)c(OC)c2)n1CC1(O)CCS(=O)(=O)CC1 1538991909 GVFGNYBWBKUDDF-QGZVFWFLSA-N 476.599 2.140 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N(CC)C(=O)OC(C)(C)C 1539015998 SCKXLHGGHPWQCR-GVDBMIGSSA-N 453.609 2.284 30 10 JEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)c2ccccc2)CC1 1539072037 JWDWKCMUTJZTSN-FQEVSTJZSA-N 469.611 2.383 30 10 JEEE C#CCCCn1c(N2CCC(C(=O)Nc3nncs3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1539139066 AICUWVOBEHYAPF-QFIPXVFZSA-N 473.603 2.439 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Br)n1CC1(C)COC1)[C@H]1CCS(=O)(=O)C1 1539212751 XRNGUSGPTXXHKQ-HNNXBMFYSA-N 479.400 2.371 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@@H]1CCC2(C1)OCCO2)[C@H]1CCS(=O)(=O)C1 1539220874 VVHNYBIGPMRACH-MSOLQXFVSA-N 450.605 2.037 30 10 JEEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1C[C@H]1CCN(CC)C1)[C@H]1CCS(=O)(=O)C1 1539231173 SLYAYRGOMAESSD-VXKWHMMOSA-N 485.654 2.442 30 10 JEEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H](c1ccc(C)o1)N1CCOCC1 1539237405 CQEDXNRFAVQFPS-NVQXNPDNSA-N 481.597 2.366 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1CCCOC1 1539300991 YYOGSKQSYLQSLX-LJQANCHMSA-N 454.600 2.436 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCNC(=O)C1CC1 1539416946 WBEXMAXRKYXUJG-IBGZPJMESA-N 474.606 2.005 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc(N(C)C)c(F)c2)CC1 1539430994 QKNMFKPNRMAXHF-VWLOTQADSA-N 470.593 2.327 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2C[C@](C)(O)CC)CC1 1539470785 ZMHQCLSFKHJDGF-RUZDIDTESA-N 461.570 2.462 30 10 JEEE C#CCSCCn1c(CC(C)(C)C)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1539520896 YJHMYPYKVCPHLX-UHFFFAOYSA-N 459.620 2.290 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(Br)n1 1539538664 LFOSZXHOQQOWIU-FZKQIMNGSA-N 467.393 2.086 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@@H]2CCN(C(C)=O)C2)cc1 1540877753 DXVUORYQEBADII-LEWJYISDSA-N 487.626 2.098 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](Nc2ccccc2)C1 1540898021 YFFMBFIJLKSVBS-HXUWFJFHSA-N 472.615 2.196 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc(COc2ccc(Br)cc2)n1CCN1CCCS1(=O)=O 1541118476 ASSZJUOIHOYOPW-HNNXBMFYSA-N 497.419 2.251 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCn2cncn2)C1 1541213012 FHZKUQZOBBXSCR-GOSISDBHSA-N 463.546 2.459 30 10 JEEE CCc1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1CC(=O)NCC(F)(F)F 1546528171 FUJUIJBTIKVWOV-UHFFFAOYSA-N 455.872 2.371 30 10 JEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCOC[C@H]1c1nc2ccccc2s1 1556312854 HCLPQQILYDNVIX-KDOFPFPSSA-N 456.549 2.435 30 10 JEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CO)(Cc2ccccc2)CC1 1587856116 HEVMUGWPJUCKTH-OAQYLSRUSA-N 456.612 2.415 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCn1cc(C)cn1)[C@@H]1CCS(=O)(=O)C1 1588029410 HMNPYVIQXKPLEN-UYAOXDASSA-N 486.573 2.389 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2C[C@H](C)N(C)C2CC2)CC1 1588913339 HRWKNSKNMMNXKI-SFHVURJKSA-N 450.587 2.402 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCc2cn[nH]c2)CC1 1588968018 FFWKGHYQVVCQPV-FQEVSTJZSA-N 496.616 2.282 30 10 JEEE C#CCSCCn1c(N2CCC(N3CCN(CC)C3=O)CC2)nnc1[C@]1(OCC)CCOC1 1589125942 SGRIZJVPSPIPQY-QHCPKHFHSA-N 476.647 2.023 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCOC[C@H]1C 1595506703 JVHIVQSTOCWIDD-CYBMUJFWSA-N 450.337 2.244 30 10 JEEE C=CCOc1ccccc1Cn1c(-c2cccn2C)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1595649269 NRVCEWDSCBFNNI-IBGZPJMESA-N 470.599 2.415 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCO[C@@H](c2ccccc2F)C1 1595788987 MLAGDGVNZSUTGI-LJQANCHMSA-N 458.519 2.053 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2cc(Br)ccc2C1 1595789109 NCHXILGWZIQHOF-KRWDZBQOSA-N 494.415 2.155 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N(C)[C@@H]1CCSC1 1595805756 TZSMPKIMVICCBY-CRAIPNDOSA-N 450.586 2.333 30 10 JEEE CC(C)NC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1609889221 DMILUSCMYHRUSO-KOSHJBKYSA-N 468.558 2.028 30 10 JEEE C=CCCn1cc(CNS(=O)(=O)c2ccc(-n3ncc(Cl)c(Cl)c3=O)cc2)nn1 1622441436 LUQHNUAUKOQONK-UHFFFAOYSA-N 455.327 2.185 30 10 JEEE C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N(C)C[C@@]2(O)CCN(Cc3ccccc3)C2)cc1 1676356136 DDPLCEAYELBJEL-JPYJTQIMSA-N 456.568 2.473 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1ccc([C@H](C)O)cc1)[C@H]1CCS(=O)(=O)C1 1689986761 WRVLIIUCPHZRHQ-UWJYYQICSA-N 451.552 2.068 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1CCCc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1689988131 JUMZOBBEAQQSSI-GOSISDBHSA-N 454.531 2.134 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H](C)COCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1689988391 OBUCLDILICHPOY-PZJWPPBQSA-N 480.594 2.215 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CCN(C)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 1689993432 DJYLWOCLEOBZOJ-QFIPXVFZSA-N 470.643 2.155 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CCN1CCCC(C)(C)C1)[C@@H]1CCS(=O)(=O)C1 1689994162 SIMVLODNAPHYHE-OAQYLSRUSA-N 470.643 2.013 30 10 JEEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1Cc1cccc(OCC(=O)N(C)C)c1 1690051202 PXOGKFUFHXQWSA-UHFFFAOYSA-N 495.587 2.495 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCOC3)n2CC2CN(C(=O)OC(C)(C)C)C2)n1 1690109053 FADXDKGCGKQJOJ-HXUWFJFHSA-N 499.616 2.132 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CCN2CCCC(C)(C)C2)CC1 1690148831 WPOJBROQEKJLIE-UHFFFAOYSA-N 463.630 2.352 30 10 JEEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1690183118 MMUAQZXSHBJRJL-GOSISDBHSA-N 459.597 2.109 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C(C)C)C1 1690432468 DUWIAZLRWLQNHO-QZTJIDSGSA-N 455.625 2.075 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N(C)CCN1CCN(c2ccccc2)CC1 1690664292 NNPFPRANMHAANL-UHFFFAOYSA-N 463.586 2.407 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1690731212 COUKVRPGRXUHBA-MISYRCLQSA-N 493.674 2.293 30 10 JEEE CCO[C@@H](CCn1c(C(=O)NC(C)C)nnc1N1CCN(c2cc(C#N)ccn2)CC1)C(C)C 1696004719 BHRVVBRZNVHCCC-FQEVSTJZSA-N 468.606 2.461 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)c1nc(-c2ccccc2)no1 1705477215 KRTYCXYBZZSZHS-OWCLPIDISA-N 457.560 2.200 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C2(c3ccccc3)CCC2)n1CCNS(=O)(=O)Cc1ccon1 1705479247 KDSBULKGNMYQMM-GOSISDBHSA-N 468.583 2.314 30 10 JEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1nnc2n1CCCCC2 1705551110 GWPAYJSBMCSMEI-KRWDZBQOSA-N 470.578 2.022 30 10 JEEE C#CCN(c1nnc(-c2cccc(Br)c2)n1C[C@@](C)(O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1705562234 ZEEQJCUPDWYHHH-WIYYLYMNSA-N 493.427 2.495 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2C[C@H]2CCCCS2(=O)=O)CC1 1705645746 CXOJMYZFTZVFRK-HXUWFJFHSA-N 469.611 2.187 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Br)n2C[C@H](COC)OC)CC1 1705646081 QGZLCBHCLCCZNN-QGZVFWFLSA-N 490.402 2.335 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ncccc2N(C)C)CC1 1705646295 DKGYCMDOMQWZKZ-UHFFFAOYSA-N 468.565 2.292 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2C[C@@H](C(C)C)N2CCOCC2)CC1 1705647208 CJMHFHDQABBPIU-QFIPXVFZSA-N 456.635 2.258 30 10 JEEE C#CCSCCn1c(CCOc2ccccc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1705664201 XQZQWWYXZRDOIB-QFIPXVFZSA-N 482.654 2.009 30 10 JEEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1705689002 BJABUWMECQGKKQ-CQSZACIVSA-N 475.438 2.060 30 10 JEEE C=C(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1705723784 UYPJXILOHDJZTJ-HXUWFJFHSA-N 456.572 2.024 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)c2cccc(C)c2)CC1 1705736683 ZUDLOQLKRHRMLF-NRFANRHFSA-N 466.586 2.483 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(F)c(COC)c2)CC1 1705781908 KEETYTSEUPZYNY-OAQYLSRUSA-N 493.605 2.347 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(-n2nc(C)cc2C)nc1 1705884408 OBSKFGZRSALSLP-FQEVSTJZSA-N 485.614 2.065 30 10 JEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccc(Br)cc2C1 1705890687 CNJCSJVYYLYPRT-QGZVFWFLSA-N 482.404 2.122 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC(Nc2cccnn2)CC1 1705898404 KPDLYWOTTGFWCM-UHFFFAOYSA-N 478.557 2.135 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1C[C@H](OC)[C@H](OC)C1 1705903860 WXVGVKMKXYLQFD-CALCHBBNSA-N 464.364 2.168 30 10 JEEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 1705904611 TVHOATMVZCXKTF-UHFFFAOYSA-N 471.581 2.069 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN(c2ccc(F)cc2)CC1 1705931952 GIIIKCGZVRCKPZ-UHFFFAOYSA-N 458.563 2.350 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1705937573 YAZFLYQBYMOJJY-JOCHJYFZSA-N 452.621 2.386 30 10 JEEE C=CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCN1CCOCC1 1705946799 RCLMBCXRSDZBEM-LJQANCHMSA-N 496.678 2.274 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC1(N(C)C)CCC1 1708752111 FSNGQVWQVLRXBV-GOSISDBHSA-N 494.648 2.058 30 10 JEEE CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CC2)C1 1709811601 HMEAPZMNMLULPF-LJQANCHMSA-N 470.599 2.137 30 10 JEEE CCN1CCN([C@@H](C)Cn2c(COc3ccccc3OC)nnc2N2CC[C@@](F)(C#N)C2)CC1 1710269965 GLJGTFQZCWVRJD-YADARESESA-N 471.581 2.334 30 10 JEEE CO[C@H]1CCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1712041919 GZCBMJFBYMDTHE-VXKWHMMOSA-N 465.602 2.278 30 10 JEEE COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(N(C)C)CCOCC2)C[C@@H](C)O1 1712282775 BHUQJOPFQVJMCV-WIYYLYMNSA-N 454.575 2.168 30 10 JEEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2C[C@H](C)O[C@H](C)C2)C[C@H]1OC 1712684723 FHMZRRZMWUELIU-PVTAMDAMSA-N 484.601 2.078 30 10 JEEE C#CCCCCn1c(N2CCN(CC(=O)NCC)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1722321966 DLYUNVUBPXMLRD-BGYRXZFFSA-N 487.649 2.110 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H](C)CNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1722359791 BCFRPDPRUGPHAX-MSOLQXFVSA-N 488.614 2.128 30 10 JEEE C=CCN(c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCNS(C)(=O)=O)C1CC1 1722649842 YYNQCZQWAKEJDR-INIZCTEOSA-N 468.624 2.097 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCCN(Cc2ccc(OC)cc2)C(=O)C1 1722697477 LJYOJWGGRROKRE-UHFFFAOYSA-N 489.580 2.198 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cc(F)ccc2N2CCOCC2)C1 1722709958 ZQBMGVDZBQZSGW-HXUWFJFHSA-N 472.565 2.222 30 10 JEEE C=CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1722738212 CTVAVNNOKFMIQC-MAUKXSAKSA-N 450.586 2.333 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CCCN(C)C(=O)OC(C)(C)C 1723926853 DQEVXFDSRQSTKQ-INIZCTEOSA-N 483.639 2.275 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1740621847 ZRKGENYYYDLASS-FQEVSTJZSA-N 468.583 2.176 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2CCC(=O)N2CCOCC2)CC1 1740691974 FLRNRVYDMFHGNR-UHFFFAOYSA-N 494.640 2.374 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CCN2CCCC[C@H]2CC)CC1 1740706814 DVCLYENDBNKZOR-HSZRJFAPSA-N 463.630 2.494 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@](C)(O)c2cc(C)oc2C)CC1 1740709835 MERZGJDICKQEOI-WDZJFXIESA-N 499.612 2.085 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Br)cc2)nnc1N1CCSCC1 1740963778 WZKQFUOMDBFQCC-UHFFFAOYSA-N 452.378 2.475 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1740964043 FUERCKOQEJGVGH-LJQANCHMSA-N 471.949 2.124 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(Nc2cccnn2)CC1 1740987441 HIHZYDXIQQTBKO-UHFFFAOYSA-N 478.582 2.288 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CC[C@H](N(C)Cc2ccccc2)C1 1740993095 YELHJKGGZIWIBE-SFTDATJTSA-N 459.616 2.094 30 10 JEEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](c2nc(C)no2)C1 1747412550 BKOJUFFMFZHDSV-SFHVURJKSA-N 455.544 2.327 30 10 JEEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1C[C@@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1748766313 MPBYHCKKOSBCDP-SQNIBIBYSA-N 481.557 2.019 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1Cc1ccccc1CN1CCC(O)CC1)[C@H]1CCS(=O)(=O)C1 1748805471 SFFXTMGUYUYTCX-OFNKIYASSA-N 499.681 2.423 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCN(C)[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1748808109 ICDYKIATQRLBSO-FXAWDEMLSA-N 474.587 2.210 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1Cc1cccnc1OC)[C@H]1CCS(=O)(=O)C1 1748808878 HUWWQYHTZBDEPR-SFHVURJKSA-N 467.551 2.032 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@]1(O)CCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1748809188 KJBSCCPCGIZDGD-QZTZHPFYSA-N 488.610 2.140 30 10 JEEE C#CCN(CC)c1nnc(-c2cc(Br)cn2C)n1CCN/C(O)=C1\N=CC=CC1=O 1748912528 GIJZSXLZSCPYST-HTXNQAPBSA-N 472.347 2.032 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CC1(N2CCSCC2)CCCCC1 1748959967 BYENUEJTFPYKQP-LJQANCHMSA-N 460.648 2.067 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nc(C(C)(C)C)cs1 1748962466 IUDBHYGJSLIMRH-HNNXBMFYSA-N 451.618 2.069 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(c2cnn(CC)c2)CC1 1749228743 CGWYTULSVRFRPG-IBGZPJMESA-N 462.620 2.373 30 10 JEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccc(C(=O)NCCC)c2)CC1 1749329115 GOGVEIZYQPSPEK-QGZVFWFLSA-N 474.631 2.479 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCOCc2ccccc2)CC1 1749343350 ZXUINITVAYNCFQ-OAQYLSRUSA-N 475.615 2.230 30 10 JEEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC[C@H](c2ccnn2C)C1 1749677246 SVOQGLLYMQKATO-FQEVSTJZSA-N 463.586 2.492 30 10 JEEE CC(C)(C)S(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1750517131 GIOHLMYGKOEUJD-LJQANCHMSA-N 470.599 2.483 30 10 JEEE CC(C)C(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCO[C@@H]2C)C1 1750557292 CJENPQGKWOVPAE-KNOQFWTLSA-N 466.586 2.345 30 10 JEEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1CC1CCN(CCN(C)C)CC1 1760165933 LEANMEMPWZGGOK-UHFFFAOYSA-N 462.440 2.389 30 10 JEEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@H](c1ccc(C)o1)N1CCOCC1 1760177948 SUTCDZZDRNVLQN-GOSISDBHSA-N 468.583 2.314 30 10 JEEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1([S@](C)=O)CCC1 1760235268 HSUKQAOARMILBK-IAQAZVPISA-N 465.620 2.347 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2ccccc2OC)CC1 1760261623 OVAHTAOQVNGZBQ-OAQYLSRUSA-N 496.612 2.399 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3c[nH]c4ccccc34)n2CCOCCOC)CC1 1760269043 WIIUIHXKWFNKOJ-UHFFFAOYSA-N 450.543 2.055 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C)C(=O)C1 1760413780 UFJPVQKNVBXHPH-QGZVFWFLSA-N 462.595 2.467 30 10 JEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](OC(C)(C)C)C1 1760440420 JOKPXFCWCIXQMV-ROUUACIJSA-N 455.625 2.361 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(Cc1cccc(F)c1)C1CC1 1760554371 BDKGDCCDCVDFPJ-KRWDZBQOSA-N 482.603 2.089 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 1760556190 WTVZLSUQABQPRN-MSOLQXFVSA-N 483.635 2.219 30 10 JEEE CCN(CC)CCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1765005065 FPOUPDMEQSPRHL-UHFFFAOYSA-N 470.597 2.486 30 10 JEEE CCC[C@@H](C)NC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cnnn2C)C1 1765542812 FYJSRFNXAXCOBL-UYAOXDASSA-N 491.600 2.427 30 10 JEEE COCCN(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1771076600 GJEWJGDGJOFRRX-VXKWHMMOSA-N 454.575 2.169 30 10 JEEE N#Cc1c(NC(=O)CN2CCN(S(=O)(=O)c3ccc(N)cc3)CC2)sc2c1CCCC2 1858636100 NOMFMQAAZUISRS-UHFFFAOYSA-N 459.597 2.026 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1OC 1862573948 DGSWEIHEYDABEH-HXUWFJFHSA-N 469.450 2.326 30 10 JEEE COc1cc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCNC(C)=O)cc(OC)c1OC 1862602331 ZOIUUELXFXQTMQ-HXUWFJFHSA-N 470.478 2.132 30 10 JEEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1cccc([N+](=O)[O-])c1 1862630118 MXHNDKFMRAEHQU-IBGZPJMESA-N 453.407 2.038 30 10 JEEE CN(C)c1ccc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2CCCNC=O)cc1 1862739281 VNZFRCPCWBFXRX-HXUWFJFHSA-N 452.467 2.375 30 10 JEEE CC(=O)Nc1ccc(C)c(NC(=O)[C@@H](CO)NC(=O)C2CCN([C@H](C#N)c3cccs3)CC2)c1 1866866217 FYZPNDNNNVQSTA-NHCUHLMSSA-N 483.594 2.407 30 10 JEEE CC(=O)Nc1ccc(C)c(-n2nnc(C#N)c2NC(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)c1 1870142963 PLTQCYVZBDMJFS-ZDUSSCGKSA-N 457.450 2.029 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)COc2nonc2C(=O)Nc2ccc3nc[nH]c3c2)nc1C 1872691477 HNPKKRAERGJBPT-UHFFFAOYSA-N 483.466 2.323 30 10 JEEE C=CCn1c(C(=O)N2CCC(C(N)=O)CC2)cc2c(NCCOc3ccc(OC)cc3)ncnc21 1875232753 XGCVOTBZXWNJGO-UHFFFAOYSA-N 478.553 2.454 30 10 JEEE C=CC1(NS(=O)(=O)c2cc(C(=O)O)oc2Br)CN(C(=O)OC(C)(C)C)C1 1884989805 ROQQDMKEOLVEPG-UHFFFAOYSA-N 451.295 2.194 30 10 JEEE CC(C)N1C(=O)CS[C@@H](C(=O)N2CCN(c3cc(N(C)C)ncn3)CC2)[C@@H]1c1ccc(C#N)cc1 1889638007 GNVOZVWBQHNDFG-BJKOFHAPSA-N 493.637 2.157 30 10 JEEE CCN1CCN(CC#CCOC2CCN(C(=O)c3cc(-c4ccccc4OC)[nH]n3)CC2)CC1 1890635570 KATPIPOKEOEBGB-UHFFFAOYSA-N 465.598 2.347 30 10 JEEE Cc1csc(CNS(=O)(=O)CCN2C(=O)c3ccccc3C2=O)c1B1OC(C)(C)C(C)(C)O1 1950860598 RVTAOKMGWJEXKN-UHFFFAOYSA-N 490.412 2.071 30 10 JEEE CC(C)(C)OC(=O)N1CCSC[C@@H]1CC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2124524000 MZBVNSBJMVXPFM-HNNXBMFYSA-N 464.397 2.457 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCO[C@@](C)(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2180985606 RJYCNWCGAGWRPE-OYHNWAKOSA-N 462.356 2.177 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N[C@]2(COC)CCN(C(=O)OC(C)(C)C)C2)C1 2255189963 OHLQGEMARFDFCO-AVBDTAHFSA-N 451.564 2.435 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](O)CN(C(=O)c2csc(B3OC(C)(C)C(C)(C)O3)c2)C1 2255705961 BWBSBEBIEKTARX-LSDHHAIUSA-N 452.382 2.147 30 10 JEEE CC1(C)OB(c2cc(C(=O)NC[C@H]3CN(C(=O)OCc4ccccc4)CCO3)ns2)OC1(C)C 2255835636 PLKSWEPQSMRPGT-KRWDZBQOSA-N 487.387 2.210 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H](CC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)C1CC1 2256621871 ZXJKSWNXBVAXBG-CYBMUJFWSA-N 452.386 2.139 30 10 JEEE C[C@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)O)c1cscc1B1OC(C)(C)C(C)(C)O1 2256622403 GXGBSNAPVAJMKK-WOSRLPQWSA-N 454.398 2.499 30 10 JEEE Cc1csc(CN(C)C(=O)[C@H](CO)NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2256625663 ZUNFMMPFIJFFHB-AWEZNQCLSA-N 454.398 2.200 30 10 JEEE CC(C)[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2256668484 AZQGHBSGKJXNFP-FKIZINRSSA-N 452.386 2.137 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2C[C@@H](NC(=O)OC(C)(C)C)CC[C@H]2C(=O)O)C1 2266509924 KGIOVIJDBYNEJA-AKDBOMNQSA-N 465.547 2.262 30 10 JEEE Cc1c(B2OC(C)(C)C(C)(C)O2)csc1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1O 2267108640 IAOKQSTUFUWJFR-HOTGVXAUSA-N 466.409 2.456 30 10 JEEE Cc1sc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2O)cc1B1OC(C)(C)C(C)(C)O1 2267113149 PTOAVHYOLGJOLL-HZPDHXFCSA-N 466.409 2.456 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCCCN(OC)C(=O)OC(C)(C)C)n1 2267148973 GVPRESFLXNFZSS-UHFFFAOYSA-N 452.361 2.121 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1CC2(C1)C[C@H]2NC(=O)OCc1ccccc1 2267459235 BQYMNPNNYNEAJU-WHEQYPTASA-N 480.374 2.297 30 10 JEEE CNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2267703671 ZGBRZYNSDKLJHV-UHFFFAOYSA-N 462.352 2.062 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCOC[C@H]1NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2267715372 WOGBOEWADZDYMI-ZIAGYGMSSA-N 488.437 2.008 30 10 JEEE COC[C@@H](CC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F)NC(=O)OC(C)(C)C 2268706114 MBCIKPZWWVFXBZ-CQSZACIVSA-N 453.320 2.388 30 10 JEEE C[C@@H](C(=O)NCc1sccc1B1OC(C)(C)C(C)(C)O1)N1CC(NC(=O)OC(C)(C)C)C1 2268718980 WWFWVUUEFXKYFI-AWEZNQCLSA-N 465.425 2.261 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@](Oc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)(C(=O)O)C1 2269067599 SUDHFZFEUNRDPQ-OAQYLSRUSA-N 452.288 2.363 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@H](COc3ccc(B4OC(C)(C)C(C)(C)O4)cn3)O[C@H]2C1 2279898307 SVMHYJXLQWDJMD-SQNIBIBYSA-N 462.352 2.163 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@]2(C[C@H](NC(=O)c3coc(B4OC(C)(C)C(C)(C)O4)c3)CO2)C1 2281832872 TZEALUUZYOOCGN-QMHKHESXSA-N 462.352 2.477 30 10 JEEE Cn1cc(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]23)n1 2282040969 QBRTZUXHSYDSGY-USXIJHARSA-N 460.384 2.237 30 10 JEEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCC[C@H](NC(=O)OC(C)(C)C)CC1 2282191198 MDFMFFMKNWMWBC-GJZGRUSLSA-N 463.388 2.070 30 10 JEEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CNS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282295832 RDABTDPZBBLXFJ-HZPDHXFCSA-N 481.424 2.162 30 10 JEEE CC1(C)OB(c2ccc(S(=O)(=O)N3C[C@@H]4OCCN(Cc5ccccc5)[C@@H]4C3)s2)OC1(C)C 2282334875 HRWVNWSUBZBFNH-MOPGFXCFSA-N 490.456 2.321 30 10 JEEE C[C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2282552580 RFXLUSMOIRUGOK-CVEARBPZSA-N 462.400 2.485 30 10 JEEE Cn1cc(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)nc1B1OC(C)(C)C(C)(C)O1 2282553182 VYIOPNNSKQXEEB-JYJNAYRXSA-N 460.384 2.237 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCOC[C@@H]1NC(=O)OCc1ccccc1 2282589616 PSTYGMHZTDPMMI-UXHICEINSA-N 498.389 2.016 30 10 JEEE C[C@@H](NC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1)C1(O)CCN(C(=O)OC(C)(C)C)CC1 2282625724 ZFBNXYGZTUJPON-CQSZACIVSA-N 481.424 2.323 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NCCCOCCNC(=O)OC(C)(C)C 2282688622 WYAXOXZJXUTIIY-UHFFFAOYSA-N 465.400 2.468 30 10 JEEE CC1(C)OB(c2csc(S(=O)(=O)NC[C@@]3(O)CCCN(Cc4ccccc4)C3)c2)OC1(C)C 2282860290 YCEXZSVGWYHXRH-QHCPKHFHSA-N 492.472 2.353 30 10 JEEE CC(C)(C)OC(=O)N[C@H](C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)s1)[C@H](O)C(F)(F)F 2284061102 UVGGZAOLGCVREZ-KBPBESRZSA-N 494.341 2.480 30 10 JEEE C[C@@H](O)CN(CCNC(=O)OC(C)(C)C)C(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1F 2285414401 YMZXOFQBXUIDMZ-OAHLLOKOSA-N 466.359 2.473 30 10 JEEE COC(=O)c1[nH]c(C)c(C(O)=C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccc(F)c2)c1C 2296927817 BUBMPIQAIOWBLO-NRFANRHFSA-N 485.512 2.311 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](O)CN(c2ncc(Cl)cc2B2OC(C)(C)C(C)(C)O2)C1 2317242934 MTMMKCPSNJESJL-CABCVRRESA-N 453.776 2.499 30 10 JEEE CC(=O)NCc1nnc(SCc2nc(O)c3ccccc3n2)n1N=Cc1ccc(O)c(O)c1 2330778245 IWZULANAQHUGSY-UHFFFAOYSA-N 465.495 2.149 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H](CNC(=O)OC(C)(C)C)CC1(C)C 2362325426 FBTMLEYFQBURIP-OAHLLOKOSA-N 462.400 2.485 30 10 JEEE 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)ncn2C)C1 2362453428 VNWPTFOLCOQCHY-CVEARBPZSA-N 462.400 2.437 30 10 JEEE O=C(CSc1n[nH]c(N/N=C/c2ccco2)n1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 20832892 NDYAWWQPCGRLJO-UDWIEESQSA-N 475.556 2.359 30 10 JEEE Cc1nn(CCO)c(C)c1/C=N/Nc1nc(SCC(=O)Nc2c(F)cccc2F)n[nH]1 59887836 AKPDPLLIXATZDE-ODCIPOBUSA-N 450.475 2.065 30 10 JEEE O=C1C(=NNc2cccc3c(=O)[nH][nH]c(=O)c23)C(c2ccc([N+](=O)[O-])cc2)=NN1c1ccccc1 254821216 GNDIBJJWEHRJEV-UHFFFAOYSA-N 469.417 2.344 30 10 JEEE COc1cccc(C(C)=NNc2nc(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)n[nH]2)c1 1084651473 SFNJWBQRMCKDEH-UHFFFAOYSA-N 475.556 2.028 30 10 JEEE N#Cc1ccc(N2CCN(C(=O)CCNS(=O)(=O)c3ccc(F)cc3)CC2)c(Cl)c1 1156038661 AGSVTOFSWFWIQN-UHFFFAOYSA-N 450.923 2.368 30 10 JEEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)CCNC(=O)OC(C)(C)C 1161085756 BTFTXZSMZPURKV-MRXNPFEDSA-N 452.577 2.123 30 10 JEEE CS(=O)(=O)N(CC(F)(F)F)C1CCN(CC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 1191047323 COYISPIUMNSXJD-UHFFFAOYSA-N 452.886 2.438 30 10 JEEE C#CCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1286335599 CZZPWSITVPYYIL-QFIPXVFZSA-N 462.554 2.360 30 10 JEEE C#CCN(C)c1nnc(-c2ccc(Br)s2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1286368571 NFSSIWUODRZPTR-UHFFFAOYSA-N 487.383 2.102 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@](C)(O)CCC(C)C)[C@H]1CCS(=O)(=O)C1 1286388724 VBJJZEXKTWFUHD-CYFREDJKSA-N 488.610 2.488 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1ccnc(OC(F)F)c1)[C@@H]1CCS(=O)(=O)C1 1286389887 SDAIVKYAURJRQT-QGZVFWFLSA-N 488.520 2.320 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CCN(C)CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1286393562 FIBANDFOFOJVAJ-GOSISDBHSA-N 499.559 2.286 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCNS(=O)(=O)Cc1ccon1 1286404604 UKTORHWFOQOMPY-UHFFFAOYSA-N 493.376 2.432 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@H](C(C)C)N2CCOCC2)CC1 1286483974 BRWLATMZFZAYDA-DEOSSOPVSA-N 466.630 2.278 30 10 JEEE C=CCNC(=O)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCSC(C)(C)C1 1286791252 WLVKHXLBGAESLS-UHFFFAOYSA-N 483.686 2.277 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2CCCC[C@H]2C1 1286796994 ZGBRUCWISXCNSA-QUCCMNQESA-N 474.631 2.176 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCN(CC(F)F)CC1 1286815072 KPFRQSICVSVQGS-UHFFFAOYSA-N 491.568 2.323 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1286815646 CNKHWTOTVFMBOC-KRWDZBQOSA-N 463.604 2.137 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1286822582 GNOHCCUJOJEBIA-IRXDYDNUSA-N 482.946 2.225 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1286823287 UBGCWDOXMSFEQR-GOSISDBHSA-N 479.672 2.221 30 10 JEEE Cc1nc(C)c(Cn2c(-c3cccc(C#N)c3)nnc2N2CCCN(S(C)(=O)=O)CC2)s1 1290373823 BWKWCUJXHOCRPX-UHFFFAOYSA-N 471.612 2.410 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CCNS(=O)(=O)c1ccccc1 1300275796 AARCDFKFWZWVNU-CQSZACIVSA-N 477.388 2.472 30 10 JEEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](CC=C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1300491213 FBJONNXWNFHGRK-HKBOAZHASA-N 467.595 2.216 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCCSC1)[C@H]1CCS(=O)(=O)C1 1300500901 FTXYDFAMCLAOHZ-WMZOPIPTSA-N 465.670 2.404 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCC(=O)N(C)C)CC1 1300716093 IYGQNGHADVJIPX-QGZVFWFLSA-N 470.549 2.001 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCO[C@H]2CCOC2)CC1 1300732006 JTLQOMTVMUORKG-BHDDXSALSA-N 487.645 2.358 30 10 JEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](C(=O)N(C)c2ccccc2)C1 1300992139 UQRFFERNTDITDB-UYAOXDASSA-N 452.559 2.311 30 10 JEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(Oc2ncccc2F)CC1 1301257904 GEKXMQBWTSEUNJ-KRWDZBQOSA-N 479.578 2.355 30 10 JEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1301458266 QENSQDSTQVSKGP-SFHVURJKSA-N 498.650 2.023 30 10 JEEE C=CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1301468718 MXOCFIKKORAZGA-AUSIDOKSSA-N 463.586 2.294 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1CC1 1301531113 COQAOJISYQQXHO-HXUWFJFHSA-N 461.588 2.070 30 10 JEEE C=CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1301601418 CWCLSZNAOIEUEI-UHFFFAOYSA-N 451.618 2.391 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(CCCc2ccccc2)n1CCS(=O)(=O)N1CCSCC1 1358895915 TXWBHTYDFFEWCX-LJQANCHMSA-N 461.657 2.290 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H](c1ccccc1)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1358960608 IKBUEBQSVGKHFZ-PKTZIBPZSA-N 495.653 2.388 30 10 JEEE C#CCN(c1nnc(C2CCC2)n1C[C@@H](CC(C)C)NC(=O)OCC)[C@H]1CCS(=O)(=O)C1 1358961666 CXSGSZJGWOWXRK-MOPGFXCFSA-N 465.620 2.333 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC2CCN(C(=O)OC)CC2)CC1 1359028336 OMFYLUDXGODVFG-UHFFFAOYSA-N 493.612 2.381 30 10 JEEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1359056102 XYCGTLXEEVXMTH-INIZCTEOSA-N 458.588 2.113 30 10 JEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N(C)[C@H]1CCN(Cc2ccccc2)C1 1359060101 KGZJVVKZKBSUPM-NRFANRHFSA-N 452.628 2.478 30 10 JEEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CCN([C@H](C)c2nc(CC)no2)CC1 1359075710 CURCXDVPRIHSKN-OAHLLOKOSA-N 493.410 2.251 30 10 JEEE C=C(Br)Cn1c(-c2cccnc2)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1359081196 SCQMDDORZCJYIQ-MRXNPFEDSA-N 470.393 2.279 30 10 JEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)OCc2ccccc2)CC1 1359208989 YKHYJMINRMPKQO-SFHVURJKSA-N 476.603 2.313 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)cc1OCC1CC1 1359240803 XPQSNGXHHULNDI-NRFANRHFSA-N 475.615 2.379 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CC(F)(F)CO1 1359255580 DBYXNXHLHZNIRN-QAPCUYQASA-N 480.541 2.377 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 1359300338 ZRJZQHYNJLCKCR-RTBURBONSA-N 467.574 2.033 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1359333903 NKKNSUPWGWXTIR-VQTJNVASSA-N 479.672 2.078 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CC[C@]2(CCOC2)C1 1359335940 ZMHOQROEHQXLAI-NRFANRHFSA-N 450.536 2.214 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@H](c1cccc(F)c1)N(C)C 1360692833 AFCBNFLJAUJLBD-XWFZLUIHSA-N 477.610 2.460 30 10 JEEE COc1ccc(C(=O)CNC(=O)CCC(=O)N2CCN(c3ccc(F)cc3C#N)CC2)cc1 1471226382 CZGXMBHBUGKUSA-UHFFFAOYSA-N 452.486 2.134 30 10 JEEE CO[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1)C(C)C 1503974580 AYZRAOZDSYAMIB-NRFANRHFSA-N 499.597 2.128 30 10 JEEE C#CCN(CC)c1nnc(-c2ccc(Br)cc2)n1CCS(=O)(=O)NC(C)C 1507682539 QZXQCLJWMVYVIC-UHFFFAOYSA-N 454.394 2.495 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@]2(N(C)C)CCC[C@H](C)C2)CC1 1507719306 MVZQEFFQSMNZHG-GPUOULLFSA-N 458.651 2.196 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC(=O)NCC(F)(F)F)CC1 1507721619 RHXBSKXKUQONOC-UHFFFAOYSA-N 470.883 2.041 30 10 JEEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CC2(SC)CCN(C)CC2)CC1 1507727653 KNPAFGYNSNCEDD-UHFFFAOYSA-N 459.689 2.216 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@H](C(N)=O)C1 1507798773 UGGQILJDLVXLQS-KEYYUXOJSA-N 463.380 2.339 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1507811808 UVVTXIZSULCJMK-DYESRHJHSA-N 457.535 2.426 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCCCO2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1507844784 PKQFIZPHIGXXSB-IBGZPJMESA-N 473.578 2.170 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCSC(F)(F)F)CC1 1507902825 ORXLSEPGTBJZGA-CQSZACIVSA-N 469.555 2.266 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Br)cc2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1508089269 BBJIXZSWNGUKRO-HZPDHXFCSA-N 492.330 2.036 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1508136007 QPVKYTQUFFXOCZ-KSFYIVLOSA-N 493.561 2.189 30 10 JEEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1539089795 RPYRWNDLISZLSL-LJQANCHMSA-N 454.962 2.476 30 10 JEEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccccc1CN1CCC[C@@H]1CO 1539153476 DZAOZIFHKLZGIH-RCZVLFRGSA-N 453.587 2.005 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCc1ccc(NC(C)=O)cc1)[C@H]1CCS(=O)(=O)C1 1539220037 HDEQMQYOPMHENU-VXKWHMMOSA-N 485.610 2.348 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCN1CCOCC1(C)C 1539232855 REITZPWACUJGTB-UHFFFAOYSA-N 468.989 2.045 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2CC[C@H](N2CCOCC2)C(F)(F)F)CC1 1539453136 DOFWCVDRVRMGJZ-NRFANRHFSA-N 494.537 2.416 30 10 JEEE C#CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1539505684 CQERQRAFAPPTFZ-ICSRJNTNSA-N 499.637 2.450 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(CC(=O)N(C)C)CC1 1539636216 JZYDZJDOCIHIMP-HOYKHHGWSA-N 488.583 2.339 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc(-c2cccc(C)n2)n1C[C@@]1(O)CCS(=O)(=O)C1 1540127780 WVWJXDDIEJDCPJ-QHCPKHFHSA-N 453.568 2.391 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cnccc1OC 1540187701 UXFAVFGXUWAIMJ-QGZVFWFLSA-N 457.556 2.460 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCN(C(C)=O)CC1 1540874673 OAJFHAXPTGVXHV-UHFFFAOYSA-N 454.575 2.260 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC(C)(C)C(=O)NC)C1 1540883380 YZUVWVVDGWVGFO-GOSISDBHSA-N 474.993 2.415 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC2(C)COC2)C1 1540892730 QTJMUZSQGOXFIS-ROUUACIJSA-N 463.579 2.404 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Br)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1540900024 IVRHYBJVWMPFTJ-YOEHRIQHSA-N 494.415 2.023 30 10 JEEE C=CCSCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1540910676 GRLQGNREVXSCOM-UHFFFAOYSA-N 491.061 2.499 30 10 JEEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)CN2CCCC2)C1 1547779404 CCAZCHXGWDPCKS-NQIIRXRSSA-N 471.631 2.067 30 10 JEEE CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC2(CCOCC2)C1 1548321943 FOFSWWFWWUDSRU-UHFFFAOYSA-N 459.572 2.170 30 10 JEEE CN(C)C(=O)[C@H]1CCCN1CCCn1c(-c2cnccn2)nnc1N(C)Cc1ccc(C#N)cc1 1552662188 HUFKZLREMZGMPC-JOCHJYFZSA-N 473.585 2.186 30 10 JEEE CN(C)[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](C#N)C1)c1ccsc1 1552748834 DKSVPHYRGQYOFR-IAGOWNOFSA-N 452.544 2.019 30 10 JEEE COCC[C@](C)(O)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1555418716 DJDJKPXAMRAGIL-VWLOTQADSA-N 477.569 2.334 30 10 JEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H](CO)c1ccc(F)cc1F 1585380002 DLOWLFGJNULIKM-ZWKOTPCHSA-N 451.495 2.268 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCN1CCCO[C@@H](C)C1 1587580793 SDCMXNHDQQVHSA-PMACEKPBSA-N 488.658 2.154 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCOC[C@@H]2C)c1 1587683361 IMQKJMSBFHPZLS-AZUAARDMSA-N 464.570 2.243 30 10 JEEE C#CCCCCn1c(Cc2c(F)cccc2F)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1587769495 IQAYMQONINICET-IBGZPJMESA-N 456.497 2.423 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1Cc1ccc(C)cc1N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1588058794 CKHVDKCUWROJFE-JOCHJYFZSA-N 485.654 2.297 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccccc1OCC=C)[C@@H]1CCS(=O)(=O)C1 1588074738 QLVWAWHVAFZBMY-TZIWHRDSSA-N 456.568 2.369 30 10 JEEE C#CCN(CC#CC)c1nnc(Cc2ccccc2F)n1CCCN1CCC[C@H]1C(=O)N(C)C 1588238202 LSWMHLASTLUNDJ-QHCPKHFHSA-N 464.589 2.414 30 10 JEEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 1588265906 JXIHSTYUXMMGDH-SJORKVTESA-N 480.635 2.137 30 10 JEEE C#CCN(CC)c1nnc(-c2ccccc2Br)n1CCS(=O)(=O)NC(C)C 1588297675 CSRBNBKLUFVWHR-UHFFFAOYSA-N 454.394 2.495 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2([S@](C)=O)CCC2)CC1 1588907749 FKTLQRMFYCWSEV-XIFFEERXSA-N 464.595 2.084 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2sccc2Br)CC1 1588924214 XLMOJJRIKGIXDT-OAHLLOKOSA-N 491.415 2.067 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2Cc2cccn(CC)c2=O)CC1 1588946745 HZRLMVDAEWSFAN-UHFFFAOYSA-N 476.556 2.204 30 10 JEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1 1589060685 WRVFVOQSEWXWBE-GOSISDBHSA-N 473.002 2.211 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C(F)F)C1 1589544470 HVAYJKNVFUMQBD-BDXSIMOUSA-N 489.589 2.074 30 10 JEEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@@H](C)C(=O)NC 1593884070 BHIOQSUPPFECKT-HIFRSBDPSA-N 456.975 2.157 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1594454161 CMSSSNWWSXTZHK-QGZVFWFLSA-N 479.651 2.418 30 10 JEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1594626242 KSZFIOWWJGWTDT-UXHICEINSA-N 477.635 2.314 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)c1ccccc1Cl 1595303158 MJDWKLXROCDXHN-IERDGZPVSA-N 469.007 2.380 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(c2nc(C)no2)CC1 1595488888 BICAISBJSVCESZ-UHFFFAOYSA-N 475.351 2.413 30 10 JEEE CCN(CC)CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2nccs2)CC1 1615416484 BMEZQNLVJPTEOW-UHFFFAOYSA-N 494.625 2.224 30 10 JEEE C[C@H]1CN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CCN1C(=O)OC(C)(C)C 1615904187 CEZXAEIJJAHOEW-RXVVDRJESA-N 459.566 2.476 30 10 JEEE CCNC(=O)C(C)(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(CC#N)CC1 1615905479 BVPSESUYSTYUME-UHFFFAOYSA-N 462.562 2.213 30 10 JEEE C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1622058133 IFXXPHXEHJIPSE-QZTJIDSGSA-N 454.596 2.388 30 10 JEEE C=CCNC(=O)c1ccc(NC(=O)N(C)Cc2nnnn2-c2cc(OC)cc(OC)c2)cc1 1622929145 YVFXEVGSEPYGLE-UHFFFAOYSA-N 451.487 2.259 30 10 JEEE C=CCS(=O)(=O)CCNC(=O)c1ccccc1Sc1ccc(S(=O)(=O)NC)cc1 1637033636 XUAHQQNKGHDZJB-UHFFFAOYSA-N 454.595 2.077 30 10 JEEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N2C[C@@H](CO)[C@H](CO)C2)ccc1Cl 1641291012 VKNMFZRAJQCKQN-ROUUACIJSA-N 464.971 2.394 30 10 JEEE C=CCC1(O)CCN(C(=O)CSCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)CC1 1644943429 YLBDUVPWFHYZLU-UHFFFAOYSA-N 458.584 2.086 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1689838366 YKEYPZINKSLJJC-YYWHXJBOSA-N 452.584 2.479 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@@H]1OCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1689994103 RDXJXJIJVCZJAH-ROUUACIJSA-N 463.629 2.076 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCc1cnn(C)c1 1690019770 REGUPSHAYPFBCY-FQEVSTJZSA-N 467.574 2.026 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCN1CCCCC1=O 1690034314 CWWGEBWMZOAELU-UHFFFAOYSA-N 495.653 2.412 30 10 JEEE C#CCN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1(S(C)(=O)=O)CCC1 1690087263 QCMCSZPNKMSPAS-CALCHBBNSA-N 465.620 2.476 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1CC(C)(C)N1CCOCC1 1690090101 WJVLVXWPKLYDFB-HXUWFJFHSA-N 454.550 2.119 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1c(F)cccc1OC(F)F 1690103915 JEIWEEVVCBZYFI-CQSZACIVSA-N 472.489 2.055 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(N2CCSCC2)CCCCC1 1690104471 XORXVOWUJSOEPQ-HXUWFJFHSA-N 495.715 2.018 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCSC(F)(F)F)CC1 1690114850 JEXVAMITORAETH-UHFFFAOYSA-N 473.546 2.357 30 10 JEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](c2c(F)cccc2F)N(C)C)CC1 1690132158 JKCBWDYQRSNBFJ-JOCHJYFZSA-N 482.583 2.476 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCN(CC)C(C)C)CC1 1690146244 IZDAQXCJGYRBHT-HSZRJFAPSA-N 480.613 2.487 30 10 JEEE C#CCSCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[C@@H](C(=O)NC)C1 1690160156 ZGJIBYVGQSXNMP-MRXNPFEDSA-N 473.599 2.300 30 10 JEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2ccccc2)C1 1690485482 UUYIRSNYZUHKLI-PMACEKPBSA-N 461.588 2.155 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(Br)c3)n2CCS(=O)(=O)N(C)C)C1 1690687443 BLKGZSSOZDLPQW-KRWDZBQOSA-N 484.420 2.380 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1690725531 TUPHPXJHYHMMOD-IXFSTUDKSA-N 478.590 2.382 30 10 JEEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1ccc(C)cc1SC)[C@@H]1CCS(=O)(=O)C1 1705568328 LGQKOWVAJNHTHK-LJQANCHMSA-N 487.651 2.106 30 10 JEEE C#CCN(c1nnc(COCC)n1CCc1c[nH]c2cc(C)ccc12)[C@H]1CCS(=O)(=O)C1 1705571656 FAUANZUBVLKINX-IBGZPJMESA-N 455.584 2.474 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCCNC(=O)C(C)C 1705580025 BODDFWCTFWEJQV-UHFFFAOYSA-N 473.581 2.471 30 10 JEEE C#CCSCCn1c(CC(C)(C)C)nnc1N1CCN(c2cncc3nc(C)nn23)CC1 1705662246 UIRWHCNOLYIZPJ-UHFFFAOYSA-N 453.620 2.306 30 10 JEEE C#CCSCCn1c(COc2ccccc2OC)nnc1N1CCN(c2cnn(C)c2)CC1 1705665837 FQMGZGZMJWOROG-UHFFFAOYSA-N 467.599 2.292 30 10 JEEE C=C(C)COCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1705732256 TVZULVNXJLOEKM-UHFFFAOYSA-N 463.586 2.154 30 10 JEEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1705805297 DKKAOCNRZSAVQM-RBUKOAKNSA-N 493.634 2.118 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN([C@H](C)c2cccc(OC)c2)CC1 1705899810 HODVHNROAGKKRH-LJQANCHMSA-N 463.586 2.478 30 10 JEEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)COCC)C1 1710345086 BBMOMCUMQOICOA-LJQANCHMSA-N 460.604 2.397 30 10 JEEE CN(c1nnc(COc2ccc(C#N)cc2)n1CCc1cccnc1)C1CCN(S(C)(=O)=O)CC1 1711045413 BBQPOHUPVQPTPC-UHFFFAOYSA-N 495.609 2.227 30 10 JEEE COCCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1712454462 GXTDDMWTXXQZTG-QZTJIDSGSA-N 475.594 2.243 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(C(=O)N(C)C)CCCC1 1722394046 MJZPDDWPNUQYRG-UHFFFAOYSA-N 485.592 2.304 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](C)N2CCC[C@H](C)C2)CC1 1722449763 YVHXGFGMEFHNDS-LEWJYISDSA-N 463.630 2.350 30 10 JEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(C(=O)NC2CC2)cc1 1722458494 LIBNATKZRCBERZ-LJQANCHMSA-N 452.584 2.124 30 10 JEEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1722530691 BCRKNHAQEOSEBW-NFBKMPQASA-N 469.634 2.255 30 10 JEEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 1722542987 JXETZPBJBKBXEZ-HUUCEWRRSA-N 461.032 2.018 30 10 JEEE C=CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCS(=O)(=O)NC(C)C 1722638842 PEVVYAVBNMGJQQ-UHFFFAOYSA-N 473.603 2.186 30 10 JEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 1722700576 MNMMSJNJHYUWQJ-SFHVURJKSA-N 494.625 2.495 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Br)c2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1722724486 XTGJISFCGMAZCU-WBVHZDCISA-N 494.415 2.023 30 10 JEEE CCC[C@H](C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(CC(N)=O)CC1 1727926344 BQFAKTRQQKGUJQ-KRWDZBQOSA-N 451.575 2.461 30 10 JEEE CCCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CC2)CC1 1728180135 BZZYESIVRQADNA-UHFFFAOYSA-N 470.599 2.137 30 10 JEEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1ccnc(-n2cccn2)c1)[C@H]1CCS(=O)(=O)C1 1740616980 JYZNWMCUGABZEO-HKUYNNGSSA-N 453.572 2.047 30 10 JEEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1C[C@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1740626728 CEJKHJFZBOYECI-WMZOPIPTSA-N 466.007 2.087 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1740634718 HNRSJVLMFLUZCK-MRXNPFEDSA-N 452.868 2.329 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@H]1CCCN1S(C)(=O)=O 1740638866 PJVHVJJUBLXWHN-LJQANCHMSA-N 464.551 2.097 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccc(F)cc2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1740643519 JTOWODOXIUQSFM-DENIHFKCSA-N 485.585 2.273 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)c2cccs2)CC1 1740704759 WUDFKSATQOBCOB-UHFFFAOYSA-N 487.589 2.274 30 10 JEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(C)[C@H](C1)C2(Cl)Cl 1740709720 QKSKUPOFUXNRLL-XEZPLFJOSA-N 466.460 2.275 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)N1CCN(c2ccccc2)CC1 1740724937 KMBSKZATVXNMHX-STWLZBDKSA-N 499.685 2.091 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(OCC(N)=O)CC1 1740763982 SKURMJZGVPWHQT-NTKDMRAZSA-N 480.569 2.181 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(Cn2cccn2)c1 1740774534 USVWJNOBYUCODW-QFIPXVFZSA-N 499.641 2.307 30 10 JEEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(Oc2cncc(Cl)n2)CC1 1740885794 ODPKLFNTEHMAPO-MRXNPFEDSA-N 461.954 2.313 30 10 JEEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(Cc2cscn2)CC1 1740943930 NQHZZYWUEDEEID-UHFFFAOYSA-N 473.628 2.160 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)C[C@@H]1CCOC1 1740990034 GJLDDIMLIYFRFV-SFHVURJKSA-N 456.572 2.204 30 10 JEEE C=CCSCCn1c(N2CCN(c3cc(C#N)ccn3)CC2)nnc1[C@@]1(OCC)CCOC1 1741004822 NGTMVHFWWQETOX-HSZRJFAPSA-N 469.615 2.443 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1[C@H]1C[C@H](c2ccccc2F)C1 1741131903 HVCJSHHTUXGBTG-VIPLHTEESA-N 476.578 2.465 30 10 JEEE CC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCOC(C)(C)C2)CCN1CCOC 1745000611 IBAAWSJTYRVAGQ-QHCPKHFHSA-N 481.645 2.475 30 10 JEEE CCNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1746479485 AGNABPPIBJLUMB-MZNJEOGPSA-N 452.559 2.363 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCSCc1ccc(C)cc1 1748672513 UTNATHUQNKSHHE-ICSRJNTNSA-N 477.656 2.311 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCC[C@@H]1CC)[C@@H]1CCS(=O)(=O)C1 1748805084 NYLYFURGFXTHFC-GJPOJAMWSA-N 464.632 2.383 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCN1CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1748809348 LISIKPMVLMPNRF-FPOVZHCZSA-N 471.627 2.312 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2Cc2cccc(C(=O)N(C)C)c2)CC1 1749009945 MZVZKHGVMGIHJR-JOCHJYFZSA-N 478.597 2.236 30 10 JEEE C=C(Br)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(CCOCC)CC1 1749109122 DIPYYAUTRWMQEF-UHFFFAOYSA-N 483.436 2.337 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1749175249 AYVIFAOSIQSGBP-OAHLLOKOSA-N 471.505 2.430 30 10 JEEE C=C(C)COCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(C(C)C)CC1 1749222345 DYXRZDBAFKXDEG-UHFFFAOYSA-N 451.575 2.315 30 10 JEEE C=C1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1749288018 KGEPAKCRPQNLPH-HNNXBMFYSA-N 483.436 2.484 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCSC[C@@H]1C 1749687490 UKNKPQQAUGNLKT-JKSUJKDBSA-N 451.618 2.443 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1749725143 QTNPXXKUKFLQSX-JPYJTQIMSA-N 471.583 2.192 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN(C(=O)c2ccc(C)cc2)CC1 1749738650 SYUHRNZPNMPGKH-UHFFFAOYSA-N 457.600 2.102 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1cccnc1OCCC 1760199303 SVVHRRHSFDDXGH-UHFFFAOYSA-N 453.510 2.226 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1CC(C)(C)c1ccc2c(c1)OCCO2 1760242923 SCVOVLOXBXPNKX-UHFFFAOYSA-N 455.559 2.251 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1cc(Br)ccc1F 1760249402 KWBRYVJBXWUBND-INIZCTEOSA-N 499.406 2.411 30 10 JEEE C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C(=O)NCCC)C1)c1ccccc1 1760362286 GFJAIFZQVVWODH-AZUAARDMSA-N 474.631 2.344 30 10 JEEE C=CCCCCn1c(-c2ccc[nH]2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1760426379 PCGDLGLKAXIIQQ-UHFFFAOYSA-N 458.592 2.182 30 10 JEEE C=CCCCn1c(-c2ccccn2)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1760435371 HIPFEKXUSWSOBR-QRQLOZEOSA-N 488.614 2.433 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nnc(C(C)(C)C)s1 1760504916 FYXTWWGZPKUONU-CQSZACIVSA-N 454.622 2.016 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1760517084 BSPXFRCSKHNRAG-GOSISDBHSA-N 470.574 2.006 30 10 JEEE C[C@@H]1CCCN1CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1762937227 GBAWKGOHYIZRSI-QUCCMNQESA-N 471.631 2.067 30 10 JEEE CC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1)OC 1764280886 AKPMKRNQXNTKSY-PMACEKPBSA-N 488.614 2.158 30 10 JEEE COc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@@H](c3cccc(C#N)c3)C2)cn1 1768646297 HONLAZJNLDNZKT-HXUWFJFHSA-N 461.526 2.318 30 10 JEEE CN(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CCN2CCOCC2)cc1 1862628634 CWQADJWBGPOWIA-HSZRJFAPSA-N 479.533 2.392 30 10 JEEE C=CCN(CC=C)c1nc(=NCCCCN2CCCC2)[nH]c(=NCCCCN2CCCC2)[nH]1 1871472591 DAUILHOENBYUKZ-UHFFFAOYSA-N 456.683 2.470 30 10 JEEE CCOc1ccc(OCc2nnc(SCC(N)=O)n2/N=C/c2cccc(OC)c2O)cc1 1874235429 IHNRZPFLXHQCKF-FOKLQQMPSA-N 457.512 2.430 30 10 JEEE COC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)(C)C)C2)n1/N=C/c1cccc(OC)c1O 1874277039 ILORXKTXHVHNOX-KHAGQWAKSA-N 461.544 2.254 30 10 JEEE C#CCN(CC(=O)NCc1nn(C)c(Cl)c1I)C(=O)OC(C)(C)C 2010386722 UNOOOOVSHMSEOO-UHFFFAOYSA-N 466.707 2.165 30 10 JEEE CC[C@H](C#N)S(=O)(=O)Nc1c(I)nc(C)nc1I 2058135307 SOBMXBKYSAEYGH-ZCFIWIBFSA-N 492.080 2.038 30 10 JEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(CO)(CNC(=O)OC(C)(C)C)CC1 2082782691 MZFLGWIWYZDCQO-QGZVFWFLSA-N 453.580 2.419 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@H]2[C@@H](C(=O)NCc3cccc(B4OC(C)(C)C(C)(C)O4)c3)[C@H]21 2180981560 VOOOPXRNDXVWOO-IPMKNSEASA-N 458.364 2.236 30 10 JEEE CC(C)(C)OC(=O)NCCCNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2247951804 LFNCWJIQBYSHGU-UHFFFAOYSA-N 460.427 2.382 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2CC[C@H](CO)[C@@H](NC(=O)OC(C)(C)C)C2)C1 2255199754 CEBKYOLTYSWTHI-YOPALGQTSA-N 451.564 2.027 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1COC[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2255611576 VHRDHERTYLTADP-HIFRSBDPSA-N 452.382 2.317 30 10 JEEE Cc1c(C(=O)N2CC(N(C)C(=O)OCc3ccccc3)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2255630814 PARMZFVODFKOHM-UHFFFAOYSA-N 468.363 2.121 30 10 JEEE CC1(C)OB(c2scnc2C(=O)N[C@H]2CCOC[C@H]2NC(=O)OCc2ccccc2)OC1(C)C 2255812996 PVNFSTXGYIIJSK-DLBZAZTESA-N 487.387 2.256 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]1C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)s1 2256626864 OVQGXJHIDAPJMR-ZBFHGGJFSA-N 452.382 2.346 30 10 JEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H]1COCC[C@H]1NC(=O)OC(C)(C)C 2266999270 LZIHTEBUISPWRL-CVEARBPZSA-N 450.341 2.299 30 10 JEEE CC(C)(C)OC(=O)N[C@](C)(CO)CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2267160183 VRKQTOQZVKPJBZ-NRFANRHFSA-N 469.775 2.040 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCC(CNC(=O)OCc3ccccc3)CC2)n1 2267188316 KNPKUQZSGZLBSG-UHFFFAOYSA-N 482.390 2.498 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H]1CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2267352089 IJWVWNUKSDDOQC-HNNXBMFYSA-N 470.372 2.413 30 10 JEEE CC1(C)OB(c2cncc(S(=O)(=O)N3C[C@H]4C[C@H]3[C@H]4NC(=O)OCc3ccccc3)c2)OC1(C)C 2267377067 FHXGZXSTDDAGKK-QMMLZNLJSA-N 499.398 2.069 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1S(=O)(=O)NOCCCNC(=O)OC(C)(C)C 2267466598 DJGPCYPGVIAIBF-UHFFFAOYSA-N 470.397 2.419 30 10 JEEE Cn1nc(C(=O)NCC2(C)CN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2267506452 XYWAWBXTBLLETL-UHFFFAOYSA-N 468.791 2.360 30 10 JEEE CCO[C@@H]1C[C@H](NC(=O)OC(C)(C)C)[C@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)o1 2267558402 BLXGEJLXHVYVBI-YSVLISHTSA-N 450.341 2.379 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@@H](C(=O)N3CC=C(B4OC(C)(C)C(C)(C)O4)CC3)O[C@@H]2C1 2279909194 RPEHRRCTUFPJOB-KSZLIROESA-N 464.368 2.180 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](NC(=O)c2cccc(F)c2B2OC(C)(C)C(C)(C)O2)C1 2281772394 JGGAYQPMSGYVAV-IRXDYDNUSA-N 464.343 2.225 30 10 JEEE Cc1cc(C(=O)N2CCN(CCNC(=O)OC(C)(C)C)CC2)oc1B1OC(C)(C)C(C)(C)O1 2281966103 HOMAKRULVZGTEV-UHFFFAOYSA-N 463.384 2.170 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C(F)(F)F)n1 2281996360 NPMFJHNHPFLBSH-ZDUSSCGKSA-N 476.305 2.388 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2CN(C(=O)c3ncc(B4OC(C)(C)C(C)(C)O4)cc3F)C[C@@H]2C1 2282045203 UUGKEPXSGAMPOS-HUUCEWRRSA-N 461.343 2.459 30 10 JEEE Cn1ncc(C(=O)NC2([C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)c1B1OC(C)(C)C(C)(C)O1 2282058237 QWIYOFMNOKEGDH-HNNXBMFYSA-N 460.384 2.239 30 10 JEEE CC[C@]1(NS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CCN(C(=O)OC(C)(C)C)C1 2282330236 WVKGHJGFENGMHA-QFIPXVFZSA-N 481.424 2.449 30 10 JEEE CC(C)(C)OC(=O)N[C@]12CC[C@H]1CN(S(=O)(=O)c1cncc(B3OC(C)(C)C(C)(C)O3)c1)C2 2282347638 ASAVBWQTNPHJLH-NYHFZMIOSA-N 479.408 2.059 30 10 JEEE CC(C)(C)OC(=O)N(CCCNS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1)C1CC1 2282352344 NLFPYULHTZPLFF-UHFFFAOYSA-N 481.424 2.449 30 10 JEEE CC(C)(C)OC(=O)N(CCO)C1CCN(C(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)CC1 2282527104 YMTVSKUPNBGRGV-UHFFFAOYSA-N 481.424 2.276 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2CCCN(C(=O)C(F)(F)F)C2)n1 2282550859 FKTAPPWBWFBALI-CQSZACIVSA-N 455.286 2.220 30 10 JEEE C[C@@H]1CN(C(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1CCNC(=O)OC(C)(C)C 2282551589 KRWMTINDUHXBFN-CVEARBPZSA-N 462.400 2.342 30 10 JEEE Cc1cc(C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)[C@H](CO)C2)oc1B1OC(C)(C)C(C)(C)O1 2282585170 ISKARRXYXVUWOJ-HOTGVXAUSA-N 464.368 2.235 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1[C@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2 2282606582 FDSOOTHOOQHTJF-YQQAZPJKSA-N 460.384 2.187 30 10 JEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCC1CCN(C(=O)C(F)(F)F)CC1 2282835683 XVGHKAZCSDEWHD-UHFFFAOYSA-N 496.382 2.435 30 10 JEEE Cc1nc(NC(=O)[C@](C)(NC(=O)OC(C)(C)C)C(C)(C)O)ncc1B1OC(C)(C)C(C)(C)O1 2283982505 YGOQPEZEBPRGKR-QFIPXVFZSA-N 464.372 2.077 30 10 JEEE CC(C)(C)OC(=O)N[C@@]1(C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)C[C@H](O)C1(C)C 2284058830 BSAFKDLEDABTLI-LFVRLGFBSA-N 461.368 2.374 30 10 JEEE Cc1c(C(=O)N2C[C@@H]3C[C@@]3(CNC(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2288247409 MWFFULZHTYZKAZ-NPMXOYFQSA-N 460.384 2.015 30 10 JEEE C[C@@H]1CN(C(=O)c2occc2B2OC(C)(C)C(C)(C)O2)CC2(CN(C(=O)OC(C)(C)C)C2)O1 2288587043 YJMOKNHXWSFQIL-OAHLLOKOSA-N 462.352 2.429 30 10 JEEE CCOc1cc([C@@H]2C(=C(O)c3ccc([N+](=O)[O-])cc3)C(=O)C(=O)N2CCOCCO)ccc1O 2296938554 QVFPPWKOGKXKEA-HXUWFJFHSA-N 472.450 2.130 30 10 JEEE CN(C(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1)[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1F 2320554722 HWVHUIDBYLBKAN-OLZOCXBDSA-N 455.361 2.472 30 10 JEEE CC(C)N1C[C@H](c2nnc(SCC(=O)NCc3ccco3)n2N=Cc2ccncc2)CC1=O 2329020376 QBLCWPJTKPAHGI-QGZVFWFLSA-N 467.555 2.281 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCOC1CN(C(=O)OC(C)(C)C)C1 2337247929 UFAQHAISHIVHQN-UHFFFAOYSA-N 467.397 2.116 30 10 JEEE COc1nc(OCC2(OC)CN(C(=O)OC(C)(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2339830134 VIQOAOSMTUOSRW-UHFFFAOYSA-N 450.341 2.404 30 10 JEEE Cc1scc(C(=O)N[C@@H](C)C2(O)CN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2343494162 HFNDTZMIRVGPPJ-AWEZNQCLSA-N 466.409 2.456 30 10 JEEE CN(CCC#N)S(=O)(=O)c1ccc2[nH]cc(C(=O)N(Cc3ccco3)C[C@H]3CCCO3)c(=O)c2c1 9495532 MHIMSXMYSXXNMH-GOSISDBHSA-N 498.561 2.477 30 10 JEEE CC(C)CCOc1cccc(C(=O)NC(=S)Nc2ccc(S(=O)(=O)N=C(N)N)cc2)c1 14644706 DVQDDYZRFWFIQD-UHFFFAOYSA-N 463.585 2.200 30 10 JEEE C=CCn1cc(/C=N/Nc2nc(SCC(=O)N3CCc4cc(OC)c(OC)cc4C3)n[nH]2)cn1 59831926 RSNBGHHPIGNRNC-AUEPDCJTSA-N 482.570 2.327 30 10 JEEE COc1ccc(OC)c(N2C(=NC(=O)c3ccc4c(c3)OCO4)S[C@@H]3CS(=O)(=O)C[C@H]32)c1 254307593 LNHTVJZVQZZTNM-DNVCBOLYSA-N 476.532 2.348 30 10 JEEE C=CCN(C(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1)c1nc(C(=O)OCC)cs1 501954938 UKQRIUMUOSMLRL-UHFFFAOYSA-N 479.580 2.482 30 10 JEEE CC(C)N1CCC(N2CCN(S(=O)(=O)c3cccc(Br)c3C#N)CC2)CC1 1211091433 FIDZNJLLFWMEFY-UHFFFAOYSA-N 455.422 2.500 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1CC[C@H](C)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 1286386630 FBFSLOAQXGUGCB-PMACEKPBSA-N 458.632 2.175 30 10 JEEE C#CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@@H](C(=O)OC)C1 1286503567 BZKUNIOTJUPANM-OAHLLOKOSA-N 452.540 2.350 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)Cc1cnn(C)c1C 1286788245 SODVVCKZKGGCAZ-GOSISDBHSA-N 486.621 2.373 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3noc4c3COCC4)n2CCNC(=O)OC(C)(C)C)C1 1286808543 LYIGPLFMBCJYHG-OAHLLOKOSA-N 460.535 2.312 30 10 JEEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1286834453 HOZBOIOFDCOGCL-UHFFFAOYSA-N 463.677 2.323 30 10 JEEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(C)(=O)=O)C[C@@H](c2ccsc2)O1 1291217602 FDRMBVAIFRKTEL-BEFAXECRSA-N 472.596 2.394 30 10 JEEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CCOC1CCCCCC1)[C@@H]1CCS(=O)(=O)C1 1300483878 ORFLAHKBLAZZNY-HYBUGGRVSA-N 494.658 2.296 30 10 JEEE C#CCSCCn1c(-c2ccc(C)o2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1300742357 GLZJYSSHGKDKND-UHFFFAOYSA-N 451.618 2.463 30 10 JEEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1300766930 NZXFZAYGZVNMAL-QGZVFWFLSA-N 452.588 2.205 30 10 JEEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 1300950379 BXSWIGMHKMWDSJ-CRAIPNDOSA-N 462.551 2.296 30 10 JEEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2cccc(Br)c2)C1 1301429189 IXMHLYUGJQAXRM-XJKSGUPXSA-N 470.393 2.415 30 10 JEEE C=CCn1c(-c2ccccc2OC)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1301447111 JDAFWBCLCRHYHU-UHFFFAOYSA-N 460.585 2.416 30 10 JEEE C=CCn1c(N2CCN(CC(=O)Nc3cccc(C)c3C)CC2)nnc1[C@@]1(OCC)CCOC1 1301474272 XLDYCZQCUZQGGK-RUZDIDTESA-N 468.602 2.494 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1301577274 MLIRBPJEODYCOG-SFHVURJKSA-N 477.587 2.269 30 10 JEEE CC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2C[C@H](C)O[C@H](C)C2)C1 1301817052 AAQMVWZQJJHKIJ-SELNLUPBSA-N 465.602 2.421 30 10 JEEE CNC(=O)CC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN(C)C(C)C)CC1 1315023288 CBWHZKRGCCRQTB-UHFFFAOYSA-N 453.591 2.421 30 10 JEEE C#C[C@H](C)N(C)c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1358894514 QFNJUHNOXPVYOE-IEZWGBDMSA-N 462.645 2.296 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@@H](CC)N2CCCC2)c1 1358901083 ZIHGYKKFDGNJRC-OAQYLSRUSA-N 465.602 2.347 30 10 JEEE C#CCCCCn1c(Nc2cnn(CC3CCC3)c2)nnc1[C@H]1CN(S(C)(=O)=O)CCO1 1358918172 MPBYWHMXHSYPLV-LJQANCHMSA-N 461.592 2.155 30 10 JEEE C#CCCCn1c(CN2CCCC2=O)nnc1N(C)C[C@@H](c1cccs1)N1CCOCC1 1358933104 HVOCMCBOCLLBHO-IBGZPJMESA-N 456.616 2.385 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCCCC1(F)F)[C@@H]1CCS(=O)(=O)C1 1358967995 XDMNUVLGFAAPTB-OKYOBFRVSA-N 486.585 2.454 30 10 JEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CCCN(CC(C)C)C1 1359023185 CNCXRZAECZXNPZ-IBGZPJMESA-N 456.591 2.460 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(F)c(COC)c2)CC1 1359038041 INCOAKPATASWGE-UHFFFAOYSA-N 482.585 2.359 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H](C)OC)CC1 1359040138 JPYUWPDBBQAJCK-SFHVURJKSA-N 452.559 2.148 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2CC2(O)CCN(C(C)C)CC2)CC1 1359047243 XRAFPHQESQUFCD-UHFFFAOYSA-N 492.668 2.264 30 10 JEEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1359215778 JCMDFIZGCHWGMQ-OAHLLOKOSA-N 463.526 2.041 30 10 JEEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1CCN(C(=O)OC)CC1 1359237475 APVJTVZQYRFQCV-UHFFFAOYSA-N 461.592 2.339 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCS(=O)(=O)N(C)C 1359271165 MZYKJCILNVFCIG-GOSISDBHSA-N 482.651 2.462 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1359292240 LARFQLSIVUJXKT-QFBILLFUSA-N 479.578 2.263 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN([C@H](C)c2cccc(OC)c2)CC1 1359302809 UZXOUPBASTYFTN-HXUWFJFHSA-N 475.597 2.458 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1359304195 PUMDSZLSABFSGO-NTKDMRAZSA-N 455.559 2.160 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(N2CCCC2)cc1 1359331622 DQBAQUDUXYLUJI-FQEVSTJZSA-N 472.615 2.067 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@@H](C(=O)OC)C1 1359335087 ZVIXPDQENGCECO-LJQANCHMSA-N 476.599 2.464 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(CCCN3CCOCC3)CC2)s1 1446707382 GJBLVMGVTGLZID-UHFFFAOYSA-N 455.646 2.106 30 10 JEEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccc(C(=O)N(C)C3CCOCC3)cc2)n1 1464891720 QHYZCQZJVVNGMS-UHFFFAOYSA-N 453.543 2.448 30 10 JEEE N#Cc1ccc(CN2CC[C@@H](NC(=O)N[C@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2=O)cc1 1478419748 CAOQAIUUBIOMCY-FCHUYYIVSA-N 456.506 2.026 30 10 JEEE C[C@@H]1CCCCN1CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1493659800 CDHFINKYDVQCQF-LJQANCHMSA-N 471.631 2.163 30 10 JEEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C(=O)OC)CC1 1507588787 QKLIGNKEMVGWPJ-GOSISDBHSA-N 461.563 2.389 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCc1ccnc(C(C)(C)C)n1)[C@@H]1CCS(=O)(=O)C1 1507632946 QWIZMRYZCUNWOT-UYAOXDASSA-N 486.642 2.129 30 10 JEEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1CC1(NC(=O)OC(C)(C)C)COC1 1507671796 PTENAOHPDMIBQZ-UHFFFAOYSA-N 489.580 2.273 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccc3)n2C[C@H]2CCCCS2(=O)=O)n1 1507715941 DUSOUCJWFAPNAJ-JOCHJYFZSA-N 482.610 2.395 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2C[C@H](C)CNC(=O)OC(C)(C)C)CC1 1507724070 FWVZADIEESMCBD-LJQANCHMSA-N 453.591 2.180 30 10 JEEE C=C(Br)Cn1c(-c2cnccn2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1507782403 DODUOXYPDAVQGX-OAHLLOKOSA-N 461.368 2.226 30 10 JEEE C=C(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1507834086 YSCRQLMQDAHBBY-IBGZPJMESA-N 451.575 2.342 30 10 JEEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)N2CCCC2)CC1 1507913830 CSWNRWDEJGRITO-KRWDZBQOSA-N 466.652 2.329 30 10 JEEE C=CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCCN(S(C)(=O)=O)CC1 1507938978 GTQWXXXCVWLWAK-UHFFFAOYSA-N 457.398 2.474 30 10 JEEE C=CCCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1507943016 YNRJKJHPVYGXAO-UHFFFAOYSA-N 482.585 2.246 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCOC1 1508009207 WILOFMUOMFFIHY-RXVVDRJESA-N 493.605 2.369 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(Cc2cc(C)ccc2OC)CC1 1508097421 POJLHXFZWZMVRK-OAQYLSRUSA-N 454.575 2.071 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC[C@H](CNC(C)=O)C1 1508144293 PELLQABWWMAXGC-LJQANCHMSA-N 484.626 2.304 30 10 JEEE C=CCSCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCNC(=O)CC1 1508154987 HCXBFNCGWIHZNE-UHFFFAOYSA-N 467.599 2.481 30 10 JEEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H]1CC=CCC1 1508160318 FSJVAWQPPFUOTD-ROUUACIJSA-N 455.650 2.323 30 10 JEEE CC[C@H](C)NC(=O)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](C#N)C1 1513192477 CGKWQEHAXVWWIC-BZSNNMDCSA-N 475.594 2.384 30 10 JEEE CCc1nc(CCn2c(COc3ccc(C#N)cc3)nnc2N(C)C[C@H]2CCN(C(C)=O)C2)no1 1513738817 DTUQVPVHMCIHST-LJQANCHMSA-N 478.557 2.221 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCN(c3ccc(F)c(OC)c3)CC2)ccc1F 1519367969 LXNDWBWZNPBDFC-UHFFFAOYSA-N 451.495 2.400 30 10 JEEE C#CCCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(CC#C)CC1 1539049313 KTTHXRSMMKWESM-UHFFFAOYSA-N 453.616 2.105 30 10 JEEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CC(C)(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1539205645 JDQJOEXDDGNRPC-PGRDOPGGSA-N 452.621 2.239 30 10 JEEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CCCC(C)C)[C@@H]1CCS(=O)(=O)C1 1539207050 YYQROJCSPNTHKB-DENIHFKCSA-N 452.621 2.382 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCO3)n2Cc2c(C)nn(C)c2C)n1 1539424395 PQHUOBQOCQMXRE-OAQYLSRUSA-N 452.563 2.011 30 10 JEEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H]2CCN(CC(F)(F)F)C2)CC1 1539454655 WUEPRXFCLUFQIZ-QGZVFWFLSA-N 467.565 2.273 30 10 JEEE C#CCSCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1539513925 SPACGERTBCUODG-UHFFFAOYSA-N 499.666 2.263 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1539622508 XDUXWSRCLUXUKU-QUCCMNQESA-N 490.586 2.306 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)CCCS(C)(=O)=O 1539630203 ZLGQDSRURRIWRZ-OXJNMPFZSA-N 486.598 2.446 30 10 JEEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1539903123 SWUAZUZIFRAULD-UHFFFAOYSA-N 480.617 2.272 30 10 JEEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(=O)c2ccc(Cl)cc2)CC1 1540853897 VCYVSWUUSYOBHK-OAHLLOKOSA-N 466.995 2.080 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1540865963 XTUPEZICBZAYOO-UHFFFAOYSA-N 488.658 2.405 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(C)n3)n2CCc2ccc(S(N)(=O)=O)cc2)C1 1540889626 QGZFOPVNFSTCOV-IBGZPJMESA-N 468.583 2.320 30 10 JEEE C#CCNS(=O)(=O)c1ccc(C(=O)N(C)C[C@H](O)c2ccccc2Br)cc1 1570352802 DKXFDBPFHCELDR-SFHVURJKSA-N 451.342 2.166 30 10 JEEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCCN(C(=O)c2ccccc2F)CC1 1587798411 JXSAFPKHCIYOJW-UHFFFAOYSA-N 452.534 2.419 30 10 JEEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCc1cccc(C(N)=O)c1 1588025363 XSKYQCZCBOWHMC-KDURUIRLSA-N 452.559 2.460 30 10 JEEE C#CCN(c1nnc(-c2ccc(Br)s2)n1CC1(C)COC1)[C@@H]1CCS(=O)(=O)C1 1588039717 CPIAMZALWRNIII-CYBMUJFWSA-N 485.429 2.432 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1CCc1ccc(S(C)(=O)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1588059759 UMLXIJBHBDAGFO-LJQANCHMSA-N 492.667 2.140 30 10 JEEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1CC1(C(N)=O)CCCC1)[C@@H]1CCS(=O)(=O)C1 1588069570 QPJMUPHXNGGXEY-HXUWFJFHSA-N 499.637 2.146 30 10 JEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCN1CCCC1 1588089289 HRFQNXWFARPUAL-UHFFFAOYSA-N 453.616 2.105 30 10 JEEE C=C(Cn1c(N2CCN(C(=O)NC)CC2)nnc1[C@@]1(OC(C)C)CCOC1)c1ccccc1 1593796125 IFJNWFGWFLCQEV-XMMPIXPASA-N 454.575 2.494 30 10 JEEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1594560172 XYINJLUCNJUZSP-UHFFFAOYSA-N 452.625 2.121 30 10 JEEE C=CCCOCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1594812584 HRPUIEKFEBHGSQ-SFHVURJKSA-N 457.535 2.395 30 10 JEEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N(C)Cc1ccc(Br)s1 1595569606 KGDPSBWGWSUGSK-UHFFFAOYSA-N 467.393 2.163 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1595577126 JPKAKEYIIODNOQ-NHCUHLMSSA-N 455.559 2.160 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](c2cccc(OC)c2)N(C)C)C1 1595714397 NPAVBCDKGQVLIC-QHAWAJNXSA-N 454.575 2.322 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCNC(=O)OC(C)(C)C)C1 1595755632 ZQNNPNVLSPPKLV-BZSNNMDCSA-N 451.568 2.308 30 10 JEEE C=CC[C@]1(C(=O)NC[C@H](O)CS(=O)(=O)c2cccs2)CCCN1C(=O)OC(C)(C)C 1597165234 BQIYJHUYRVFKCO-MGPUTAFESA-N 458.602 2.345 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@@H]1CCCCO1 1608584146 FCLHIAVPWGVIMI-NRFANRHFSA-N 451.575 2.179 30 10 JEEE CCc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1613806151 ICCPHIUEJONAIH-GOSISDBHSA-N 494.625 2.092 30 10 JEEE COc1cc(OC)c2c(c1Cl)O[C@@]1(C(=O)C=C(NCCCN3CCOCC3)C[C@@H]1C)C2=O 1615246165 QDKSWLQKPMCURB-PSLXWICFSA-N 464.946 2.476 30 10 JEEE C#CCNC(=O)C1CCN(CC(=O)Nc2c(C(=O)OCC)sc3nc(C)cc(C)c23)CC1 1617494056 VNVAIBWLLLIXSA-UHFFFAOYSA-N 456.568 2.490 30 10 JEEE C#CCN1CCN(C(=O)CN2CCC[C@@H]2c2nc(-c3ccccc3Br)no2)CC1 1642743569 FPZCEUQATYFGRU-GOSISDBHSA-N 458.360 2.413 30 10 JEEE CCCN([C@@H](COC)C(=O)OCC)S(=O)(=O)c1cc(Br)c(C#N)cc1F 1654960162 FHMSSSKQYLQYBO-AWEZNQCLSA-N 451.314 2.439 30 10 JEEE C#CCCCCn1c(Cc2csc(C)n2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1689897829 JRQASNHIDDAGSA-KRWDZBQOSA-N 455.632 2.226 30 10 JEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H](C)N1CCC[C@@H](C)C1 1689951085 LLVRGEUEOBJLHZ-MOPGFXCFSA-N 458.632 2.385 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1Cc1ccc(N(C)C)nc1)[C@@H]1CCS(=O)(=O)C1 1689991584 ABOORQQUYYWORO-OAQYLSRUSA-N 482.585 2.144 30 10 JEEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1Cc1cc2c(cc1OC)C[C@@H](C)O2 1690003399 MGKPLFLWRFRWTQ-CJAUYULYSA-N 450.539 2.383 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1coc(-c2ccccc2)n1 1690032860 LABFCZZXVYMQIK-QGZVFWFLSA-N 452.540 2.055 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2CCCN2CCCO[C@@H](C)C2)CC1 1690125945 QOCSXLIQOBEZSF-NRFANRHFSA-N 454.594 2.264 30 10 JEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2c(F)cccc2OC)CC1 1690154638 VLBNZJWBGIKUII-UHFFFAOYSA-N 472.590 2.355 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1csc([C@H](C)OC)n1 1690265688 SKTPDQYXDTURHM-RDJZCZTQSA-N 484.648 2.226 30 10 JEEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(=O)c2cccc(Cl)c2)CC1 1690643506 DBSHLDWDUBPPMG-QGZVFWFLSA-N 463.991 2.372 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@]2(C)COCCO2)C1 1690700038 MUPZHKYOTLJRMN-KHCICDEESA-N 493.605 2.173 30 10 JEEE C#CCCCCn1c(-c2cccnc2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1705513959 FIVVKAHJJKNMTJ-HSZRJFAPSA-N 451.619 2.375 30 10 JEEE C#CCN(c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@](C)(O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1705565033 FPKAVZQAXAAFEM-ZJSXRUAMSA-N 482.610 2.165 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccc(Cl)cc2)n1CCN/C(O)=C1/N=CC=CC1=O 1705585923 OETSVRBFPZXVFF-DQRAZIAOSA-N 464.913 2.110 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(Cl)c(OC)c(OC)c1 1705589359 POVKIMLNCLBWNR-HNNXBMFYSA-N 479.990 2.070 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2CCc2ccn(C)n2)CC1 1705637347 STKORRKXTNWNDX-UHFFFAOYSA-N 463.586 2.474 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CCc2nccc(C(F)(F)F)n2)CC1 1705640711 BNFUDWQGLZAAMP-UHFFFAOYSA-N 456.476 2.071 30 10 JEEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(=O)CCc2ccccc2)CC1 1705891021 VEPOPICAMLGZNL-FQEVSTJZSA-N 457.600 2.038 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1705898822 YUNUNFHGDSEUKD-QGZVFWFLSA-N 471.558 2.039 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCOC3)n2Cc2cccc(OCC(=O)N(C)C)c2)C1 1705925274 NENDOENZVNHYKS-FPOVZHCZSA-N 455.559 2.079 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CC[C@@H](C)C1 1705938425 YACSVLQVZRZSSD-OAQYLSRUSA-N 472.659 2.090 30 10 JEEE CO[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1)C(C)C 1711551309 BZSIGNCVCRTPRP-UYAOXDASSA-N 460.604 2.253 30 10 JEEE C#CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CC[C@@](C)(C(=O)NC)C1 1722335018 AMCJBWOVDWDGCZ-RUZDIDTESA-N 461.570 2.441 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCCc2ccccc21)[C@H]1CCS(=O)(=O)C1 1722357757 ABPVJWRPAFZSSQ-PMACEKPBSA-N 469.611 2.163 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1csc([C@@H](C)OC)n1 1722374965 ILVIYCJDRNZZDT-QGZVFWFLSA-N 498.634 2.480 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1722452975 MOYYJZNCPYHTHN-QGZVFWFLSA-N 463.629 2.383 30 10 JEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(F)(F)CNC(=O)OC(C)(C)C)CC1 1722560323 WFGZGECANNFPLI-AWEZNQCLSA-N 478.566 2.205 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(N(C)C)CCOCC1 1722656930 LUJBQFRPQQCGEX-QFIPXVFZSA-N 498.653 2.355 30 10 JEEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(CC(=O)N(C)C)CC1 1722683336 OOEBOXMMBOBQER-UHFFFAOYSA-N 460.604 2.076 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(F)(F)CC1 1722698706 KSMRLOMVGHCDOX-HNNXBMFYSA-N 470.521 2.124 30 10 JEEE CC(=O)N1CCCN([C@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCCCCO)C[C@H]2C)CC1 1722777011 LVWHXYZMYQIOBP-YKSBVNFPSA-N 479.629 2.358 30 10 JEEE C[C@@H]1CC[C@@H](C)N1CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)O)CC1 1726502510 CNOHNCMAIMVRGO-NHCUHLMSSA-N 481.645 2.494 30 10 JEEE CC[C@H](C)NC(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@](F)(C#N)C1 1727094315 CROXNHRFSVWAQC-FPTDNZKUSA-N 452.494 2.341 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OCC)CCOC3)n2CCC(=O)NC(C)(C)C)c1 1740563101 UIXKEMFEDDLLLV-SANMLTNESA-N 496.612 2.291 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCC[C@@H]2OC)c1 1740564469 OFDQURKBYZREMA-SBHAEUEKSA-N 485.610 2.052 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCc2cc(OC)c(OC)cc2CC1 1740961365 AKGYFYAALBUBIQ-UHFFFAOYSA-N 462.554 2.189 30 10 JEEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1740962422 CSHKZUVYDDUIBW-UHFFFAOYSA-N 473.581 2.113 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CCCN(C(=O)C2CC2)CC1 1740964716 SWFCYAZIWFTYRL-UHFFFAOYSA-N 466.586 2.170 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1740990336 REKLVEPYIJTUCE-HOCLYGCPSA-N 459.494 2.405 30 10 JEEE CN(CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCO[C@@H](C#N)C1)C(=O)OC(C)(C)C 1747948426 AMTOVKYGTQUNPG-KRWDZBQOSA-N 470.530 2.312 30 10 JEEE CNC(=O)[C@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2C[C@H](C)O[C@@H](C)C2)C1 1748131345 HKHQESRBIWBNIE-XHNVNVPESA-N 465.602 2.278 30 10 JEEE C#CCCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@](C)(C(N)=O)C1 1748701609 MGNIDQOTYUNPSV-QFIPXVFZSA-N 457.604 2.052 30 10 JEEE C#CCN(c1nnc([C@@H](C)OCCOC)n1CC(C)(C)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1748803964 BMTLUTLWBOGQDD-CABCVRRESA-N 466.526 2.217 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H](C)N(C)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1748823868 DHIFLFPYHAIGRO-CEMLEFRQSA-N 471.627 2.277 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCC(=O)N2CCCCC2)CC1 1749006218 KHPMCSWZCRZLNB-UHFFFAOYSA-N 484.004 2.362 30 10 JEEE C#CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN2CCOC[C@@H]2C1 1749050132 WUDKBAMVNOZRGK-OALUTQOASA-N 476.647 2.237 30 10 JEEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1749241132 FSQFRTMYTXQXIZ-SFTDATJTSA-N 471.606 2.328 30 10 JEEE C=CCCOCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)NC)CC1 1749460516 CCYZJBMIAAQPPD-SFHVURJKSA-N 477.610 2.404 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1749677486 AHMUHWBACVJYRZ-OAQYLSRUSA-N 495.628 2.358 30 10 JEEE C=CCNC(=O)Cn1c(N2CCSC[C@@H]2C)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1749682072 NYQBPFMJSXDMBP-HRCADAONSA-N 450.609 2.293 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc4cccnc34)n2CCS(=O)(=O)N(C)C)C1 1749704196 XWJSZSOAKFPPTM-SFHVURJKSA-N 456.572 2.166 30 10 JEEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCOC[C@@H]1CCOC1 1760170712 NLGMMCWUDDRVLT-SFHVURJKSA-N 450.543 2.188 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H](CC)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1760186780 ARFCLAYJKZDTRB-IRXDYDNUSA-N 476.603 2.203 30 10 JEEE C#CCN1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@](C)(O)C2CC2)CC1 1760259053 GDKIJUBTOVGQQT-VWLOTQADSA-N 472.634 2.309 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2CC2([S@](C)=O)CCC2)CC1 1760266963 CCMSXSRKWQUJFU-XIFFEERXSA-N 469.611 2.221 30 10 JEEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1760284009 FPMHJZHOUBNSDQ-UHFFFAOYSA-N 464.599 2.064 30 10 JEEE C=CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1)c1ccccc1 1760417609 GDQMTHXKIZJPPO-KCLUMXDGSA-N 486.642 2.211 30 10 JEEE C=CC[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(OCC(N)=O)CC1)c1ccccc1 1760418115 MUWZECVOTMOGEG-AZUAARDMSA-N 452.559 2.060 30 10 JEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1 1760433457 SDCQDELEBQXBGD-SESVDKBCSA-N 458.632 2.423 30 10 JEEE C=CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCC[C@@H](O)C1 1760502641 HGOFVGYBOIFKCU-ZWKOTPCHSA-N 462.620 2.428 30 10 JEEE C=CCn1c(CN2CCCC2=O)nnc1N(CCO)Cc1ccc(F)c(Br)c1 1760512264 SOTAUBWRSWPINC-UHFFFAOYSA-N 452.328 2.487 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(C)nc3ccccc23)nnc1N(CCS(C)(=O)=O)C1CC1 1760514787 FLLKCMAIAJGDKH-UHFFFAOYSA-N 468.583 2.117 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1760528164 UFPBXHPJVRERSW-OAQYLSRUSA-N 483.686 2.397 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@H](C)O[C@H](C)C1 1760548230 BIXJAWGBUPTTLB-IYBDPMFKSA-N 482.006 2.076 30 10 JEEE CCC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1763751814 DYSANBQGCFKEIR-CYFREDJKSA-N 467.574 2.320 30 10 JEEE COCC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(OC)nc2OC)CC1 1769150456 CUKQFOUHEBJDAV-UHFFFAOYSA-N 491.552 2.009 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCC=CO1 1771100123 GZNBRMLMSVBJKE-NHCUHLMSSA-N 471.583 2.398 30 10 JEEE N#Cc1ccccc1S(=O)(=O)N1CCN(c2nc(O)c3cc(Br)ccc3n2)CC1 1858571293 DALLIVHORXPCMM-UHFFFAOYSA-N 474.340 2.480 30 10 JEEE O=C(C1=C(O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1ccccc1C(=O)O)c1cccc(O)c1 1862598416 UXKQDCVWDMAYCM-OAQYLSRUSA-N 466.490 2.391 30 10 JEEE CNC(=O)COc1cn(CCCN2CCCC2=O)c(CSc2nc(C)c(C)c(C)c2C#N)cc1=O 1870303480 XHTDLFIRTJIXQS-UHFFFAOYSA-N 497.621 2.470 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)N[C@H](C)CC)cn1CCCN1CCOCC1 1870528485 OFUJDJJFOCFDDV-OAQYLSRUSA-N 460.619 2.038 30 10 JEEE C=CCN=c1nc(N2CCN(c3ccccc3F)CC2)[nH]c(=Nc2cccc(NC(C)=O)c2)[nH]1 1871533011 ZJUHZUOOLKSBDE-UHFFFAOYSA-N 462.533 2.481 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)COc2nonc2C(=O)NCc2ccccc2C)nc1C 1872706592 GFXZXWHQYJJDRH-UHFFFAOYSA-N 471.495 2.433 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CCO)C(=O)Nc1nc(B2OC(C)(C)C(C)(C)O2)ccc1Cl 2256668499 BEQXJTOKYZKSDH-CYBMUJFWSA-N 455.748 2.248 30 10 JEEE C[C@@H]1CN(S(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CCN1Cc1ccccc1 2267703527 XPWQTEVECKYNFS-GOSISDBHSA-N 457.405 2.276 30 10 JEEE CN(CC(C)(C)N(C)C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2273276070 GZXBVOZFZCSXNW-UHFFFAOYSA-N 450.389 2.437 30 10 JEEE CN(CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)C(=O)[C@H]1C[C@@H](B2OC(C)(C)C(C)(C)O2)C1 2281950201 SSBSOPQOULDWNA-CALCHBBNSA-N 465.400 2.397 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H]2CCN(C(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)C[C@@H]2C1 2281978383 CAWJFUXEZJFECA-JKSUJKDBSA-N 460.384 2.428 30 10 JEEE CC1(C)OB(c2cnsc2C(=O)NC[C@@]23CN(Cc4ccccc4)C[C@H]2CCO3)OC1(C)C 2282016057 SIKWINJBDLNJLF-HOYKHHGWSA-N 469.416 2.463 30 10 JEEE Cc1cnc(C(=O)N2CC[C@@H](NC(=O)C(F)(F)F)C[C@H]2C)c(B2OC(C)(C)C(C)(C)O2)c1 2282067800 UIPOZXRISNYYND-ZIAGYGMSSA-N 455.286 2.361 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)[C@@]2(CCOC2)C1 2282204413 JKFFQGNEVMGPAS-WNSKOXEYSA-N 462.352 2.477 30 10 JEEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282303460 XEYLKUYVDQHYSJ-QAPCUYQASA-N 481.424 2.305 30 10 JEEE Cn1cc(C(=O)N[C@H]2C[C@H](NC(=O)OC(C)(C)C)C23CCC3)nc1B1OC(C)(C)C(C)(C)O1 2282550470 ZKCMBEPDLSIXIV-HOTGVXAUSA-N 460.384 2.285 30 10 JEEE CCC(CC)(CNC(=O)OC(C)(C)C)N(C)C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2282612775 WEBXMTIKOBWBTO-UHFFFAOYSA-N 465.404 2.270 30 10 JEEE CCO[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2282645696 KIIQHQZMBRUSJH-FUHWJXTLSA-N 463.384 2.458 30 10 JEEE CN(CCC1CN(C(=O)OC(C)(C)C)C1)S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282861583 PWNYQRKIBTTWNZ-UHFFFAOYSA-N 481.424 2.258 30 10 JEEE CC(C)(C)OC(=O)N1CCN(c2ccc([N+](=O)[O-])c(B3OC(C)(C)C(C)(C)O3)c2)C[C@H](O)C1 2282931469 FPPUOUBCUXABEK-INIZCTEOSA-N 463.340 2.312 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1C(F)F 2283058443 DYLRWVBXWDPXSG-STQMWFEESA-N 468.310 2.006 30 10 JEEE COC(=O)[C@@H](CC(=O)NCc1scc(C)c1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2283926071 IXTFQLCNYJSBLB-CQSZACIVSA-N 482.408 2.428 30 10 JEEE CCOc1ccc(C(O)=C2C(=O)C(=O)N(CCOCCO)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 2296154679 UPPKLPQGPSGVSC-HXUWFJFHSA-N 456.451 2.424 30 10 JEEE Cc1nn(C)c(C)c1C(O)=C1C(=O)C(=O)N(CCN2CCOCC2)[C@@H]1c1cccc(Cl)c1 2296612490 MKFFVEIHAHFKAJ-HXUWFJFHSA-N 458.946 2.444 30 10 JEEE Cn1cncc1C(=O)N1CCC([C@H]2CN(c3ccc(C#N)c(C(F)(F)F)c3)C[C@H]2C(N)=O)CC1 2297649883 DVZPZFROVDUEDY-QZTJIDSGSA-N 474.487 2.401 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(-n2cnc3c(I)ncnc32)n1 2362201438 QWIDMWBEEGRHLK-UHFFFAOYSA-N 463.088 2.423 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C2)n1C 2362332428 NHHGDSJDGFDJSO-ZBFHGGJFSA-N 462.400 2.403 30 10 JEEE Cc1nn(C)c(C)c1/C(O)=C1/C(=O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1ccccc1F 102744405 DGFHVRHQTPNOCV-SADKCHQCSA-N 456.518 2.320 30 10 JEEE C[C@@]12CC[C@@H]3[C@H](CC[C@@]4(O)C[C@@H](O)CC[C@]34/C=N/N3CCOCC3)[C@@]1(O)CC[C@H]2C1=CC(=O)OC1 504451898 CERLQMOZFXRTGG-CVGFIMFHSA-N 488.625 2.017 30 10 JEEE CC1(C)OB(c2cc(F)ccc2NS(=O)(=O)CCN2C(=O)c3ccccc3C2=O)OC1(C)C 704373031 ROSWZCAJIMCLLG-UHFFFAOYSA-N 474.319 2.163 30 10 JEEE CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2OC)S/C1=N\Cc1ccc(S(N)(=O)=O)cc1 726402315 FFIAOBOIJSJPLM-GLEDVZQVSA-N 476.580 2.191 30 10 JEEE CC(C)(C)C(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccc2c(c1)OCCO2 729669701 SMKXGVPXYBFEED-UHFFFAOYSA-N 486.553 2.436 30 10 JEEE C=CCOC[C@@H](NC(=O)c1cccc(NS(=O)(=O)c2ccc(F)c(F)c2)c1)C(=O)OC 1155780003 WSASLLIXMMOCIC-GOSISDBHSA-N 454.451 2.240 30 10 JEEE C#CCCCn1c(CCc2ccc(OC)cc2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1286355519 RDBKLHYFPBMKCR-JOCHJYFZSA-N 464.570 2.252 30 10 JEEE C#CCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@]1(N2CCOCC2)CCSC1 1286358160 BUQYFQPUZOUXJD-XMMPIXPASA-N 468.627 2.425 30 10 JEEE C#CCN(C)c1nnc(COc2ccccc2OC)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1286381395 LVDYKYDPFHWJCY-RTBURBONSA-N 473.599 2.139 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1Cc1cccnc1OC)[C@@H]1CCS(=O)(=O)C1 1286387425 DSMZBMUBRQDWBK-LJQANCHMSA-N 467.551 2.032 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@H](OC)c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1286391282 CHBZVIBFVKWTRY-YADHBBJMSA-N 483.569 2.417 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@H](C)c1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1286394464 JAZQWYIFGQVTPA-QRWLVFNGSA-N 485.614 2.175 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C 1286446418 FTTGPSBAPCNJKU-SJORKVTESA-N 453.609 2.143 30 10 JEEE C#CCN1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@H](C)COC)CC1 1286479209 GFJIQIRYLZKXIP-IBGZPJMESA-N 460.623 2.430 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCSC2)CC1 1286492115 HRSNINWAJXZFSL-IBGZPJMESA-N 464.595 2.448 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCOc2ccc(C)cc2)CC1 1286492134 HXIZYPHVXGAEGM-UHFFFAOYSA-N 475.597 2.493 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCOc1ccc(F)c(F)c1 1286519165 SFRSJHYPZCCSND-JLTOFOAXSA-N 453.515 2.238 30 10 JEEE C=C(Br)Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1286541937 GHIWUYGYSIHWBE-LPHOPBHVSA-N 451.369 2.433 30 10 JEEE C=C(Cl)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1286618472 BKWGGMYWZDFHSQ-UHFFFAOYSA-N 462.986 2.383 30 10 JEEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1286633597 JVJBXJRAOQJJIB-DYXWJJEUSA-N 481.041 2.278 30 10 JEEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 1286688079 OUZZNOUSGFWSAD-NRFANRHFSA-N 471.627 2.428 30 10 JEEE C=CCCCn1c(N2CCN(CC(=O)N3CCCC[C@H]3C)CC2)nnc1[C@]1(OCC)CCOC1 1286704982 LYAUSYRPUWSXKJ-BWKNWUBXSA-N 474.650 2.419 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](CC2CC2)C1 1286786821 JBOROEIVJKJMRM-IEBWSBKVSA-N 484.605 2.110 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2CC2(O)CCS(=O)(=O)CC2)C1 1286804725 NSGCBISYJJFHFN-SFHVURJKSA-N 466.991 2.320 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)CCc1ccc(Cl)cc1 1286814213 NJFQWFXTEMSWSV-UHFFFAOYSA-N 466.007 2.447 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCO[C@@H](c3ccccc3)C2)nnc1[C@]1(OC(C)C)CCOC1 1286825757 XCNQIOLFAZAPSN-QPPBQGQZSA-N 490.626 2.497 30 10 JEEE CC[C@@H](C)NC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(C)CCCO2)CC1 1291838720 DPSZYOHOZCVAER-FQRUVTKNSA-N 495.628 2.335 30 10 JEEE CC(=O)NC[C@@H]1CCn2ncc(C(=O)N3CCN([C@@H](C#N)c4cccc(Cl)c4)CC3)c2C1 1297320826 AWAHSTMTSRAVCP-VGSWGCGISA-N 454.962 2.258 30 10 JEEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(c2cnn(C)c2)CC1 1300391501 OYSRYMJFQNQNMJ-UHFFFAOYSA-N 465.558 2.444 30 10 JEEE C#CCCCn1c(-c2ccc(Br)s2)nnc1N1CCN(CC(=O)NCC)CC1 1300393391 GUTDPJLEWBQZSY-UHFFFAOYSA-N 465.421 2.441 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1ccc(COC)o1 1300409939 LFJUPNZOBJHBNW-UYAOXDASSA-N 477.587 2.105 30 10 JEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCCC(F)(F)C1)[C@H]1CCS(=O)(=O)C1 1300479392 NJYHAXSZPIIZML-ROUUACIJSA-N 483.585 2.356 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccc(F)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 1300496535 SBPNAJJQWVSPCU-HOTGVXAUSA-N 452.939 2.250 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1Cc1cccnc1OC)[C@H]1CCS(=O)(=O)C1 1300499508 SWQMTRQYPWQBPS-NRFANRHFSA-N 465.579 2.256 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1Cc1ccc(OC)nc1OC)[C@@H]1CCS(=O)(=O)C1 1300501777 NMVLWIFFBKHKHX-OAQYLSRUSA-N 495.605 2.151 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(Cc2ccccc2)CC1 1300989655 DSTFOEXHHWQWTD-JOCHJYFZSA-N 473.643 2.485 30 10 JEEE C=CCC(C)(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCO[C@@H](C(=O)NC)C1 1301149674 DFOKEDCMHKZOBH-LJQANCHMSA-N 479.585 2.228 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C)[C@@H](O)C1)C(C)C 1301367071 KIFVLLDMRHZOOI-NCYKPQTJSA-N 465.664 2.086 30 10 JEEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C(F)(F)F)C2)cc1 1301517567 ANAPDNKOUGAWFY-YOEHRIQHSA-N 489.520 2.269 30 10 JEEE Cc1nc(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCO[C@@H](COC(C)C)C2)n[nH]1 1304685514 GQCMVUSQIHLBQT-HXUWFJFHSA-N 466.546 2.028 30 10 JEEE C=CC[C@H]1CCCC[C@H]1NCC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 1307923801 KBAFZQPGFKQWOB-FXAWDEMLSA-N 450.561 2.152 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cnccc1OC 1358890128 LMQPKWQQEJYZTQ-AEFFLSMTSA-N 456.547 2.496 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1c(CC)nn(C)c1OC 1358890158 LVGVUKHSJBIUJD-APWZRJJASA-N 487.605 2.397 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H](CC)OC)[C@H]1CCS(=O)(=O)C1 1358958460 ONMWGFVYZMRFEY-ROUUACIJSA-N 462.572 2.014 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2ccccc2COCC)CC1 1359043631 BOUVWVGKNGXPPR-UHFFFAOYSA-N 459.554 2.286 30 10 JEEE C=C(Br)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1359076522 DSLZIDKTSUKBJW-ZDUSSCGKSA-N 464.324 2.111 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N(C)C[C@@H](C)C(=O)NC 1359102681 DSXWIEIHIVRXFE-GJYPPUQNSA-N 460.604 2.069 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(N(C)C)c(F)c1 1359113767 QDAMHSMCZAEAJI-FQEVSTJZSA-N 480.610 2.267 30 10 JEEE C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1359118019 JNPZKJDUMZWWPH-UHFFFAOYSA-N 457.398 2.472 30 10 JEEE C=C(C)COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1359127790 AKLDMGDURROUBN-FQEVSTJZSA-N 490.586 2.450 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCOC2)n1CCC[C@@H]1NC(=O)NC1=O 1359260755 NDCFCCQPBRLRTI-HKUYNNGSSA-N 456.522 2.492 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@@](F)(C#N)C1 1359294305 PWXKIJUKLLANCP-LJQANCHMSA-N 463.311 2.460 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1359326804 KCIGSLPGLKWEAC-KRWDZBQOSA-N 461.588 2.060 30 10 JEEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@]2(C)Cc2ccc(OC(F)(F)F)cc2)C1=O 1437469580 CQQKLHHICUSZMP-HXUWFJFHSA-N 453.417 2.486 30 10 JEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCN(C(=O)Cc3ccccc3)CC2)cc1 1465258948 FTZIPSPZHXJWTD-UHFFFAOYSA-N 456.568 2.412 30 10 JEEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccc(C)cc2OCCCC(C)C)CC1 1469324484 WALFVSWFDHOALK-UHFFFAOYSA-N 450.605 2.105 30 10 JEEE C=CCn1c(S)nc2cc(C(=O)NCc3cccc(S(=O)(=O)N(C)C)c3)ccc2c1=O 1472567060 SEUBPERSONRZMW-UHFFFAOYSA-N 458.565 2.052 30 10 JEEE CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCc2sccc2C)CCO1 1503781370 HGFGVVCMYVHZQG-IBGZPJMESA-N 466.567 2.293 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2CCOC(C)(C)C)c1 1507551283 BZJSCRUJJVDNSP-UHFFFAOYSA-N 452.559 2.272 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1CCCCNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1507635711 UQFHZWZUVRMAQN-SFHVURJKSA-N 465.620 2.162 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(Br)cc2)n1CC(=O)NCC(F)(F)F 1507644512 JLCXWBHOGOSRME-UHFFFAOYSA-N 454.250 2.459 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(F)ccc2Br)n1C[C@]1(O)CCN(C)C1 1507662350 RAECBBWFQBMKGR-NRFANRHFSA-N 460.351 2.376 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCSCCCO)CC1 1507719834 BKYWAVIAVKMZCS-UHFFFAOYSA-N 450.008 2.478 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2Cc2ccccc2N2CCOCC2)CC1 1507742848 SMWUHCUHIPEGNV-UHFFFAOYSA-N 464.614 2.327 30 10 JEEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1507753319 LOWQBMAJZBLEHT-UHFFFAOYSA-N 496.666 2.369 30 10 JEEE C#CCSCCn1c(Cc2ccccc2C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1507754049 RRQQMSDZCHTUQT-IBGZPJMESA-N 452.584 2.016 30 10 JEEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1507756040 XSQQMXCGSYMYHN-GOSISDBHSA-N 455.650 2.136 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CC=CCO1 1507995946 FESIWXULOFETMK-PXNSSMCTSA-N 456.572 2.298 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1508073913 NCSYUAIZHJRIAS-UHFFFAOYSA-N 476.972 2.490 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1Cc1cn2ccsc2n1 1510150013 DKLUVXDZMWGVLJ-AWEZNQCLSA-N 470.584 2.154 30 10 JEEE N#C[C@@H]1CN(c2nnc(CCCc3ccccc3)n2C[C@H](N2CCOCC2)C(F)(F)F)CCO1 1521136771 HZZKOSPIPNHXDT-UXHICEINSA-N 478.519 2.445 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC1CCN(CCC(C)C)CC1)[C@H]1CCS(=O)(=O)C1 1539216219 PIRGKJGRPPCPFN-QFIPXVFZSA-N 487.674 2.063 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1CCNC(=O)[C@@H](C)CCC)[C@H]1CCS(=O)(=O)C1 1539218860 FFLSRYSYZYLRFH-ROUUACIJSA-N 451.637 2.046 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(COc3ccccc3)o2)n1CC1(O)CCS(=O)(=O)CC1 1539249856 DSVLXWNHYXHYIV-UHFFFAOYSA-N 494.573 2.130 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCn1cc(Cl)cn1 1539268113 FSINBNBGSIXGLR-SFHVURJKSA-N 473.965 2.209 30 10 JEEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc(Br)cc1 1539343694 PFYGTHYMFGFZEQ-CQSZACIVSA-N 454.394 2.353 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C)(c2nc(C)no2)CC1 1539615184 GVKAIQHJNQYRKX-NXHRZFHOSA-N 493.634 2.119 30 10 JEEE C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1539683294 MJLBSSIHPXWDJB-SFHVURJKSA-N 466.590 2.071 30 10 JEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1540858079 GHKMRJQKMNFDBA-ZWKOTPCHSA-N 459.551 2.084 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1540867048 ITPZLKAZYSXOCF-MRXNPFEDSA-N 470.530 2.079 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N(C)Cc1ccc([S@](C)=O)cc1 1540900724 FUERZXHMNRAZPJ-PMERELPUSA-N 459.597 2.315 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CCOC 1540902389 IFGNWQQQIPZRNZ-KRWDZBQOSA-N 471.624 2.076 30 10 JEEE C[C@]1(C(N)=O)CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCN(CC(F)(F)F)C2)C1 1541994793 COHLRVFUEHLQSS-KKSFZXQISA-N 461.492 2.403 30 10 JEEE CCOCC(=O)N1C[C@@H](C(=O)NCCOC)C2(CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)C1 1548376245 USHZDGOXBALGOI-FQEVSTJZSA-N 496.530 2.421 30 10 JEEE COC(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)OC 1565537391 XWFDREYZNGAQBP-CUGIQEKGSA-N 491.625 2.389 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@](C)(O)c1ccco1)[C@H]1CCS(=O)(=O)C1 1588039996 HFEFAZNBIGIVCE-KKSFZXQISA-N 475.958 2.121 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@H]1CCC=CO1)[C@@H]1CCS(=O)(=O)C1 1588069540 QDKBBZVOXKRJNB-TZIWHRDSSA-N 456.568 2.485 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC1(O)CCN(C(C)C)CC1 1588574683 PULAQOPRCYPHEM-UHFFFAOYSA-N 482.629 2.469 30 10 JEEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1589005980 AZTRCRJVHZEXJO-HXUWFJFHSA-N 486.623 2.026 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1CCCCC1 1589545622 OGQPZKFCKNPHIU-HOJAQTOUSA-N 467.636 2.361 30 10 JEEE C=CCC(C)(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@H](CNC(C)=O)C1 1594498942 YZNVJBFIBMYPPK-OAQYLSRUSA-N 482.633 2.396 30 10 JEEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(N2CCOCC2)nc1 1594962616 MVBCNVRQBVONGZ-HXUWFJFHSA-N 499.616 2.489 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc(C(F)(F)F)cc1 1595466186 GBPHNSSNHVHXLN-UHFFFAOYSA-N 450.465 2.472 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC2(CC1)CNC(=O)C2 1595506954 RTEJHKZEEWWTLF-UHFFFAOYSA-N 458.950 2.016 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1595517157 QVFUOFMMTNSOHG-FQEVSTJZSA-N 481.601 2.228 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](c2cccs2)N(C)C)C1 1595722454 KHJNDDMIFTYHDC-KURKYZTESA-N 465.645 2.326 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1595766159 MMNLVWHJNYHJNT-FQEVSTJZSA-N 485.031 2.214 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC2(CC1)COC(=O)N2 1595773042 NJNGLLBVVBBHJV-UHFFFAOYSA-N 495.989 2.287 30 10 JEEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@](O)(c2ccccc2F)C1 1595845508 VCJKJHGYGQRRCR-FOIQADDNSA-N 469.608 2.045 30 10 JEEE CN(Cc1ccccc1)Cc1cn([C@@H]2CO[C@@H]3[C@@H](NC(=S)Nc4cccc(C#N)c4)CO[C@@H]32)nn1 1616130698 OOZHJUKZMOALTM-OLKYXYMISA-N 489.605 2.476 30 10 JEEE CCS(=O)(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCC(O)CC2)CC1 1617252773 BDZNECDOROLUMV-UHFFFAOYSA-N 486.642 2.067 30 10 JEEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@](C)(Cn2cnc3ccccc32)C(=O)OC)c1 1645543231 BJCFSNXZIMJROW-QHCPKHFHSA-N 453.520 2.195 30 10 JEEE C#CCOc1ccc(Br)cc1CNCC(=O)NCC(=O)N(C)Cc1ccccc1 1651545482 WXNNZHLFJHRVHN-UHFFFAOYSA-N 458.356 2.326 30 10 JEEE C=C(Br)CNC(=O)NCCNS(=O)(=O)c1cc(C)ccc1Br 1683397279 BBMBVFNZJDQZHM-UHFFFAOYSA-N 455.172 2.244 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1COCCC 1689852829 LERKRWILGUVCSG-GHTZIAJQSA-N 475.615 2.044 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(F)c(C)c1)[C@@H]1CCS(=O)(=O)C1 1689982792 UOBWXYCAXOJMLK-YKSBVNFPSA-N 490.601 2.441 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C)N2CCC(C)CC2)CC1 1690137183 PJMSTKKDYNJRGZ-HXUWFJFHSA-N 492.628 2.012 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)CCN1CCOC(C)(C)C1 1690234900 QQAKFDMDAHGYRG-PMACEKPBSA-N 460.623 2.042 30 10 JEEE C=C(Cl)Cn1c(Cc2csc(C)n2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1690349228 QJBUYIAKKDOUTB-UHFFFAOYSA-N 450.996 2.462 30 10 JEEE C=C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCNC(=O)C(C)C)CC1 1690367389 MNHFUYNAADDUFA-UHFFFAOYSA-N 460.604 2.124 30 10 JEEE C=CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(OCC(N)=O)CC1 1690460528 KAHUZAAHVRVCPB-UHFFFAOYSA-N 465.558 2.019 30 10 JEEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)Cc2cccc(OC)c2)CC1 1690469468 QEIBKTKPXMEBTN-UHFFFAOYSA-N 466.586 2.380 30 10 JEEE CCN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CC[S@@](=O)C(C)(C)C 1695764535 CHELHEGJKVEGRW-GDLZYMKVSA-N 451.618 2.235 30 10 JEEE CN(C)C(=O)CCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(CC#N)CC1 1696580587 DOOPPWFKMZPHID-UHFFFAOYSA-N 462.558 2.190 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1)[C@@H]1CCS(=O)(=O)C1 1705558901 LJIOYWNDMRWDSA-BZUAXINKSA-N 475.537 2.337 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1CC(F)(F)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1705565873 JUFIZBAEDYWHTD-KRWDZBQOSA-N 458.494 2.154 30 10 JEEE C#CCN(c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCC1CC1)[C@H]1CCS(=O)(=O)C1 1705566508 NVUFYHGOHIFSGC-OALUTQOASA-N 493.630 2.013 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1Cc1ncccc1N(C)C)[C@H]1CCS(=O)(=O)C1 1705568272 KBMHNYWXQXQIHQ-SFHVURJKSA-N 498.584 2.132 30 10 JEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1CCC(=O)NCCC)[C@@H]1CCS(=O)(=O)C1 1705571030 UPHAIGNMICHQPP-LJQANCHMSA-N 478.018 2.065 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H]2CCSC2)CC1 1705632311 MCZAOOIZVQNCMB-GOSISDBHSA-N 459.019 2.370 30 10 JEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2cccnc2OCC(F)(F)F)CC1 1705642218 KZWXSSSFMPDUPW-UHFFFAOYSA-N 488.518 2.279 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCN(C)C2CCCCC2)CC1 1705644719 ABVYIJRUZJFYLD-AREMUKBSSA-N 486.661 2.161 30 10 JEEE C=C(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1705724317 FNBPAUMMTMXRJL-IBGZPJMESA-N 492.628 2.288 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H]1CCN(Cc2ccccc2)C1 1705736831 DPLRIRTVBNZORE-FCHUYYIVSA-N 473.643 2.484 30 10 JEEE C=CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H](C)N1CCN(CC)CC1 1705840903 HDZUYHDXUCGLIQ-IBGZPJMESA-N 464.618 2.323 30 10 JEEE C=CCSCCn1c(-c2cnccn2)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 1705942813 FLWQNEJTXGVDRE-HNNXBMFYSA-N 459.601 2.499 30 10 JEEE C[C@]1(C#N)CCCN(c2nnc(C3CCCC3)n2CCS(=O)(=O)N2CCSCC2)C1 1706934528 BEMPMCQFLQXAJK-HXUWFJFHSA-N 452.650 2.444 30 10 JEEE C#CCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC(C(=O)OC)CC1 1722337897 BOFYPTZZTZYLNN-UHFFFAOYSA-N 464.614 2.446 30 10 JEEE C#CCN(c1nnc(-c2cc(C)nc3ccccc23)n1CC[S@@](=O)CC)[C@@H]1CCS(=O)(=O)C1 1722364569 LWBJLCNPCLLLIN-CVCYQNGTSA-N 485.635 2.197 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1ccc(NC(N)=O)cc1)[C@H]1CCS(=O)(=O)C1 1722365064 BXYQRGIQLOYKRE-SFHVURJKSA-N 458.588 2.032 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC)nnc1N1CCN(CC(=O)NCc2ccccc2)CC1 1722509269 MOHOKTLPOUWSGO-ZJSXRUAMSA-N 452.603 2.260 30 10 JEEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1722589542 SOBYNSRBYOAVKN-UHFFFAOYSA-N 458.607 2.078 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCC(C(=O)N2CCCC2)CC1 1722706419 RKGUXELHYWHYHQ-UHFFFAOYSA-N 466.586 2.307 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CC[C@@](O)(c2ccc(C)cc2)C1 1722725535 MVZAUDVVWYNUDO-QHCPKHFHSA-N 455.584 2.291 30 10 JEEE CNC(=O)[C@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1CCN(C)C(=O)OC(C)(C)C 1729636842 GTDHUFFTWWMKIG-QGZVFWFLSA-N 485.589 2.414 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCN1C[C@H](C)O[C@H](C)C1 1740551720 LQSZKDHVTBZYFQ-PCCBWWKXSA-N 466.634 2.409 30 10 JEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CCn1cc(Br)cn1 1740642311 VAUHSOAIZSKPBZ-UHFFFAOYSA-N 472.372 2.002 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CCN(C)C(=O)OC(C)(C)C)CC1 1740704916 WHJOJYQGIULRIE-UHFFFAOYSA-N 467.574 2.173 30 10 JEEE C=C(Br)Cn1c(Nc2cnn([C@@H]3CC3(F)F)c2)nnc1[C@H](C)NS(C)(=O)=O 1740750363 PKRKQXAIMSROMO-GXSJLCMTSA-N 466.312 2.317 30 10 JEEE C=C(Cl)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1740804784 DVLYYZVYMDRNCV-KGLIPLIRSA-N 461.009 2.359 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@]1(O)CCN(C)C1 1740914899 NBUZNDRTYKYLNS-UIOOFZCWSA-N 480.613 2.450 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3nccc(OC)n3)CC2)cc1 1740966774 WQONGFYYQLQPRU-UHFFFAOYSA-N 492.584 2.155 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H](C)[C@@H](C)C1 1740987988 QJKKNSPJAVSEAK-MSOLQXFVSA-N 495.671 2.279 30 10 JEEE CCN(CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(C#N)C1)CCC(F)(F)F 1746313105 FBIVKRYLGIUZET-YJBOKZPZSA-N 479.573 2.293 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C 1748672366 SPZAPWZPLYYXNE-YESZJQIVSA-N 453.609 2.141 30 10 JEEE C#CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1748719172 VVBBGBPZVQZNJY-ZCNNSNEGSA-N 486.617 2.447 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CC1CCCCC1)[C@H]1CCS(=O)(=O)C1 1748803093 UZQMULZTPAOQML-SFHVURJKSA-N 456.572 2.132 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1C[C@@H](c1ccc(C)o1)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1748803917 BAPGRTSTNFHKHW-NRSPTQNISA-N 489.642 2.393 30 10 JEEE C#CCN(c1nnc(-c2ccc(Br)cc2)n1CC[S@@](=O)CC)[C@@H]1CCS(=O)(=O)C1 1748809467 TYQZDCGTMAGQKH-UULLZXFKSA-N 499.456 2.103 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H](OC)c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1748816065 WLWWOCBFCVUXJE-GIVPXCGWSA-N 476.574 2.326 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@@H](OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1748824126 JMSNDXWLWNWJJV-UYAOXDASSA-N 462.547 2.048 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1c(C)nn(Cc2ccccc2)c1C 1748846767 LILICGLXIUDRKN-QFIPXVFZSA-N 476.606 2.163 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccc(OC)c(F)c2)CC1 1748978339 KFDSHOPPMUQSQM-XMMPIXPASA-N 457.550 2.270 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H](c2c(F)cccc2F)N(C)C)CC1 1748979434 ZNAVPKCEDFKSAZ-SQJMNOBHSA-N 488.583 2.267 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCc2cccc(OC)c2)CC1 1749003371 HEPFOEPIADYDAU-SANMLTNESA-N 481.597 2.147 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2CCS(=O)(=O)C(C)(C)C)CC1 1749010849 QZZOFELTDBKGTI-UHFFFAOYSA-N 471.627 2.433 30 10 JEEE C=C(Br)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2cccnn2)CC1 1749109452 MGVUGKPYPXEODP-UHFFFAOYSA-N 458.368 2.165 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCC[C@@H](COC)C1 1749119115 NQWCHPHLVAFJRN-MKXGPGLRSA-N 455.625 2.122 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCNC(=O)CC1 1749119316 PZYRYBCBXXYJRM-PXNSSMCTSA-N 472.977 2.169 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](c2ccc(F)cc2)N(C)C)CC1 1749304088 UNLNUWWAFQSONH-LEWJYISDSA-N 492.621 2.209 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1C[C@@H](COC)O[C@H](C)C1 1749729556 NEQVDHFSCDSJAS-CVEARBPZSA-N 454.980 2.439 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](c2ccc(F)c(F)c2)C1 1749734146 FJEHGVKITRMASA-APWZRJJASA-N 468.526 2.239 30 10 JEEE N#Cc1ccc(OCc2nnc(N3CCC[C@@H](C(N)=O)C3)n2CCOc2ncccc2F)cc1 1750383800 DEGYWHUBNWPKPQ-QGZVFWFLSA-N 465.489 2.044 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H](C)Oc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1760190860 ZZQLEFZBENUUJD-QUCCMNQESA-N 481.578 2.443 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cn(C)c3ccccc23)n1C[C@H](C)CN1CCOCC1 1760247996 XJXWVDWUIYWJDD-HXUWFJFHSA-N 450.587 2.491 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(C(=O)N3CCCC3)n2CC2CC(F)(F)C2)n1 1760252260 LTVFCVOMXWKHQY-UHFFFAOYSA-N 461.517 2.042 30 10 JEEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC(=O)NCc2ccco2)CC1 1760261638 UYRIDZNTORRSBR-UHFFFAOYSA-N 462.554 2.139 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@]2(O)CCO[C@H]2C)CC1 1760267705 WVGSZMJVUPYQBP-HJPURHCSSA-N 457.962 2.104 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2Cc2cc(OC)ccc2OC)CC1 1760271879 PUUUVPDOHCPLON-UHFFFAOYSA-N 474.565 2.295 30 10 JEEE C#CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1760285922 UYHZNGYFOMXXJL-GOSISDBHSA-N 455.584 2.433 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N1CCN(C(=O)NC)CC1 1760323397 CPGPNCAIGNRRRB-UTKZUKDTSA-N 458.538 2.439 30 10 JEEE C=C(Cl)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(c2cnccn2)CC1 1760374653 UXJFNRZCMBPGLO-QGZVFWFLSA-N 490.996 2.456 30 10 JEEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCCCC2)C(=O)C1 1760406588 HUXQOKXRJRSWDK-KRWDZBQOSA-N 466.652 2.472 30 10 JEEE C=CCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1760508617 ACVAFXYPHKYZDV-UHFFFAOYSA-N 482.585 2.198 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H](NC(=O)CC)C1 1760516882 XEDMOCISGFBMKG-WMZOPIPTSA-N 458.538 2.354 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN3CCCC[C@@H]3C2)cc1 1760529585 BXWVZMPGRVMBTK-UYAOXDASSA-N 474.631 2.176 30 10 JEEE CCCNC(=O)CCn1c(N2CCN(c3cccc(F)c3C#N)CC2)nnc1[C@@]1(OCC)CCOC1 1764556413 AMBBGUJBDANTQU-RUZDIDTESA-N 499.591 2.184 30 10 JEEE CCn1cccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(CCC#N)CCC(C)C)c1=O 1766966094 HRXUDCYKXDQFMD-IBGZPJMESA-N 460.604 2.176 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(C2CC2)C(=O)C1 1772660081 ZBMMOUOZPVFIIW-UHFFFAOYSA-N 479.990 2.019 30 10 JEEE COc1ccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2CCN2CCOCC2)cc1OC 1862563484 DSPDXRUHLQYNKU-JOCHJYFZSA-N 467.522 2.197 30 10 JEEE COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2CCCO)cc1 1862574601 RKDFJAXOPHVZFU-HXUWFJFHSA-N 455.463 2.451 30 10 JEEE CC(C)(C)OC(=O)N(CCC(=O)N[C@@H](CO)C(=O)Nc1ccccc1C#N)Cc1cccnc1 1867084828 KTKCPPXWDROJHP-FQEVSTJZSA-N 467.526 2.196 30 10 JEEE C=CCn1cc(OCC(=O)OCCCCC)c(=O)cc1CN1CCN(c2ncccn2)CC1 1870419539 XXXDWXNPUJUHLA-UHFFFAOYSA-N 455.559 2.259 30 10 JEEE C#CCOc1cn(CCCN2CCOCC2)c(CNc2cc(NC(C)=O)ccc2C)cc1=O 1871008133 IRZWHITUTHWUFM-UHFFFAOYSA-N 452.555 2.462 30 10 JEEE C=CCN=c1nc(Nc2ccc(C(=O)NCCN(CC)CC)cc2)[nH]c(N2C[C@H](C)O[C@@H](C)C2)n1 1871705072 SNMZBNXDKQZZRB-OALUTQOASA-N 482.633 2.320 30 10 JEEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)c3cc(=O)c4ccccc4o3)CC2)CC1 1890323012 INHBOUJNFUKJGV-UHFFFAOYSA-N 451.567 2.444 30 10 JEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CC(=O)N2CCC(B3OC(C)(C)C(C)(C)O3)CC2)C1 1963796799 NVEKCRYCJWLSRJ-KRWDZBQOSA-N 486.440 2.495 30 10 JEEE C#CCOC1CN(C(=O)c2cc(I)cc(I)c2O)C1 2090753876 QBEKLWXFNWYCFO-UHFFFAOYSA-N 483.043 2.076 30 10 JEEE CC(C)(C)OC(=O)N[C@H](C(=O)N1CCC(=CB2OC(C)(C)C(C)(C)O2)CC1)C1CS(=O)(=O)C1 2197511756 WVDPBVYIKSMDJK-KRWDZBQOSA-N 484.424 2.105 30 10 JEEE CC(C)(C)OC(=O)N1[C@H](C(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)C[C@@H]2OCC[C@@H]21 2206613998 ZYPRNZXOMXWROV-ULQDDVLXSA-N 459.352 2.486 30 10 JEEE CON(C(=O)c1sncc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2255836872 GEFXBPOZMMQBBC-ZDUSSCGKSA-N 453.370 2.455 30 10 JEEE CON(CCNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2255941954 LMXFSEFZJAOHOY-UHFFFAOYSA-N 476.426 2.265 30 10 JEEE COCC1(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)s2)CN(C(=O)OC(C)(C)C)C1 2256627382 ACCNXMUXTPAYBF-UHFFFAOYSA-N 453.370 2.264 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@](CF)(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2266728645 PYNDXDNWAPXENO-NRFANRHFSA-N 450.320 2.311 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2O)s1 2267108767 YANIRXRYXWYMNU-JKSUJKDBSA-N 466.409 2.456 30 10 JEEE Cc1cc(C(=O)N[C@@H]2COCC[C@H]2NC(=O)OC(C)(C)C)oc1B1OC(C)(C)C(C)(C)O1 2267127547 JWJGNWOXMGRDJV-HUUCEWRRSA-N 450.341 2.299 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2267151638 ZGRMDVIAOQTURK-LSDHHAIUSA-N 467.759 2.056 30 10 JEEE C[C@H]1CC[C@H](NC(=O)C(F)(F)F)CN1S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2267464202 GLKCFMNNFWTBLK-RYUDHWBXSA-N 482.355 2.267 30 10 JEEE CC(C)(C)OC(=O)N1CCCO[C@@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)C1 2267535529 XQJBYZPVIWVCLO-AWEZNQCLSA-N 467.397 2.198 30 10 JEEE CC(C)N(CCCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1)C(=O)OC(C)(C)C 2267549681 OKWSCTUSEMIGMX-UHFFFAOYSA-N 450.389 2.485 30 10 JEEE CC(C)(C)OC(=O)N1CC2(CCN2S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2267714463 XVSFJOQSQLKATO-UHFFFAOYSA-N 464.393 2.370 30 10 JEEE C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(F)c(F)c1B1OC(C)(C)C(C)(C)O1 2268643316 KIZSYJIXJNMPDC-BDJLRTHQSA-N 456.295 2.477 30 10 JEEE CO[C@H]1C[C@@H](C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)N(C(=O)OC(C)(C)C)C1 2268650350 ILJNLFQDJOGXNI-KBPBESRZSA-N 467.397 2.083 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@@H](COc3ccc(B4OC(C)(C)C(C)(C)O4)cn3)O[C@@H]2C1 2279898306 SVMHYJXLQWDJMD-OKZBNKHCSA-N 462.352 2.163 30 10 JEEE C[C@H]1OC2(CNC(=O)OC(C)(C)C)CC1(NC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1)C2 2281803179 TWWDYCDTVOSQTB-ZOEHTXHGSA-N 479.408 2.387 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H]([S@@](C)(=O)=NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2281923508 HIGQXWBKFDAQFC-JVVFOLMZSA-N 482.412 2.250 30 10 JEEE CC(C)(C)OC(=O)NC[C@]1(O)CCCN(C(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2281935690 DBRRGVVCKUVFNM-XMMPIXPASA-N 460.380 2.478 30 10 JEEE Cn1cc(C(=O)N2C[C@H]3CCN(Cc4ccccc4)C[C@H]3C2)c(B2OC(C)(C)C(C)(C)O2)n1 2281972896 OQTWGGKCXGOLKF-UXHICEINSA-N 450.392 2.313 30 10 JEEE Cc1cc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2CO)oc1B1OC(C)(C)C(C)(C)O1 2281974939 ZJRJQUZBFMSROR-JKSUJKDBSA-N 464.368 2.235 30 10 JEEE Cc1nn(C)c(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2C)c1B1OC(C)(C)C(C)(C)O1 2281977318 NOJHXGIZIHNWAQ-ZBFHGGJFSA-N 462.400 2.403 30 10 JEEE CC(C)(C)OC(=O)NCCCN1CCN(C(=O)c2occc2B2OC(C)(C)C(C)(C)O2)CC1 2282045172 YVFCFGXUMWUTMK-UHFFFAOYSA-N 463.384 2.251 30 10 JEEE CC1(C)OB(c2ccc(S(=O)(=O)NC3(CN)CCN(Cc4ccccc4)CC3)s2)OC1(C)C 2282332749 GIWAHBPDYLNOHY-UHFFFAOYSA-N 491.488 2.319 30 10 JEEE CC(C)(C)OC(=O)N(CCO)[C@@H]1CCCN(C(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)C1 2282526100 PCYKENCPGGIKKV-OAHLLOKOSA-N 481.424 2.276 30 10 JEEE Cc1c(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC2(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282595371 SUAWQTHHJAVPCX-OAHLLOKOSA-N 462.400 2.403 30 10 JEEE CON(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nn(C)c1C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2282595495 VDOFPAWPOYHMQC-OAHLLOKOSA-N 464.372 2.041 30 10 JEEE C[C@H]1C[C@@H](CNC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2282648959 UVROTKRFTCWKEI-HOTGVXAUSA-N 460.384 2.399 30 10 JEEE CN1CCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)[C@H](CNC(=O)OC(C)(C)C)C1 2282699421 JWPULNASBPIEJR-LJQANCHMSA-N 459.396 2.267 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CN(S(=O)(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)c(F)c3)C[C@@H]21 2282835483 VJDKWQWLWZLOOJ-JLVBRIDZSA-N 482.383 2.269 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H]1CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(O)cc1O 2282973919 FJSILWKEEROJBA-KBPBESRZSA-N 462.352 2.288 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)[C@@H]2CC[C@@H]21 2283056434 NSTQWFGEHSICPH-JYJNAYRXSA-N 458.368 2.294 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@@]2(C(=O)Nc3ccc(B4OC(C)(C)C(C)(C)O4)cn3)CO[C@H]1C2 2284062671 HPBTTWQTBVAXBM-KXNSMUHISA-N 459.352 2.392 30 10 JEEE CC(C)(C)OC(=O)N1CC(CO)(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(F)cc2Cl)C1 2285970386 SXYZQMAHUUPOIF-UHFFFAOYSA-N 484.761 2.490 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](O)CN1c1ncc(Cl)cc1B1OC(C)(C)C(C)(C)O1 2317242018 HGTZSCOGXHZIJZ-CABCVRRESA-N 453.776 2.499 30 10 JEEE Cc1scc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2O)c1B1OC(C)(C)C(C)(C)O1 2343512079 SATBGCCRQTUWRJ-CVEARBPZSA-N 466.409 2.456 30 10 JEEE CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)Nc1cc(F)c(F)cc1B1OC(C)(C)C(C)(C)O1 2351776605 IUVMIBSFNWOBQS-MRXNPFEDSA-N 456.295 2.478 30 10 JEEE CC(C)(C)OC(=O)NC[C@H](O)CC(=O)Nc1cc(F)c(F)cc1B1OC(C)(C)C(C)(C)O1 2351780390 GAUFCEBCQOBYCV-GFCCVEGCSA-N 456.295 2.478 30 10 JEEE CC(C)(C)OC(=O)N[C@@]1(C)CN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CC1(F)F 2361914856 AMEOWQGPWNBEOO-FQEVSTJZSA-N 468.310 2.150 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@H]2C[C@@H](NC(=O)c3occc3B3OC(C)(C)C(C)(C)O3)C[C@@H]21 2369088377 JEHOPGKSBUJMNV-BHYGNILZSA-N 462.352 2.476 30 10 JEEE COc1ccc(/C(C)=N/Nc2nc(SCCC(=O)Nc3ccc(S(N)(=O)=O)cc3)n[nH]2)cc1 20836053 GPUIQBNEXZQDJE-ZMOGYAJESA-N 489.583 2.418 30 10 JEEE N#C[C@@H]1C(=O)Nc2nc(N3CCC(C(N)=O)CC3)[nH]c(=O)c2[C@H]1c1ccc(OCc2ccccc2)cc1 72443837 ONPXGLJDEGBMBQ-SFTDATJTSA-N 498.543 2.274 30 10 JEEE CN(C)c1ccc(C=NNc2nc(SCCC(=O)Nc3ccc(S(N)(=O)=O)cc3)n[nH]2)cc1 1084145557 NNMAKFYUEHWEFP-UHFFFAOYSA-N 488.599 2.085 30 10 JEEE CCNS(=O)(=O)c1ccc(NC(=O)CSc2n[nH]c(NN=C(C)c3ccncc3)n2)cc1 1084268878 BKZFTCSTSAEKBY-UHFFFAOYSA-N 474.572 2.065 30 10 JEEE C#CCNS(=O)(=O)N1CCN(C(=O)c2c(-c3ccc(Cl)c(Cl)c3)noc2C)CC1 1152974267 QWTKFYRTEQIBPG-UHFFFAOYSA-N 457.339 2.182 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CC[S@](=O)C(C)(C)C)c1 1286309612 SRMCCHIBKOQXGX-XIFFEERXSA-N 472.615 2.020 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1286404919 XLEYRKBXECYBKF-RTWAWAEBSA-N 497.621 2.239 30 10 JEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C(=O)NCCCC)CC[C@H]1C 1286495508 XTNFKTQGKYSSGS-RTBURBONSA-N 460.648 2.402 30 10 JEEE C=C(C)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1286584893 VQVBNVLMWBKOIK-MRXNPFEDSA-N 466.633 2.136 30 10 JEEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1286607230 MUKIPWRMLNDLTR-UHFFFAOYSA-N 455.607 2.011 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1n[nH]c(C)n1 1286740686 ULBHKXWJVARQMS-SFHVURJKSA-N 471.587 2.051 30 10 JEEE C=CCNC(=O)Cn1c(N2CC[C@@H](c3ccccc3OC)C2)nnc1[C@@]1(OCC)CCOC1 1286792836 JSNMLOQKMAHFTR-HOYKHHGWSA-N 455.559 2.235 30 10 JEEE C#CCN(c1nnc(COc2ccccc2OC)n1CC1(O)CCCCC1)[C@H]1CCS(=O)(=O)C1 1300505106 XRMWGQLLLKDEKL-IBGZPJMESA-N 488.610 2.188 30 10 JEEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1N(C)CCCC1(C)C 1300663730 HSDYSOAOQVHWCW-FQEVSTJZSA-N 487.674 2.445 30 10 JEEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CCCN(C)C(=O)OC(C)(C)C)CC1 1300704025 ZDVBTDFRXTVAJD-UHFFFAOYSA-N 453.591 2.276 30 10 JEEE COCC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@](C)(O)c2ccco2)CC1 1300904157 HLSAUSDRTKQNMC-DEOSSOPVSA-N 464.526 2.049 30 10 JEEE C=C(C)COCCn1c(-c2ccccc2C)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1300983393 YFJPYUNMRWIKGD-SFHVURJKSA-N 450.547 2.378 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc(Cc2csc(C)n2)n1C[C@@]1(O)CCS(=O)(=O)C1 1301401395 BAGWVKBNYDKRFH-QHCPKHFHSA-N 487.651 2.419 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN2C(=O)OC[C@H]2C1 1301528456 BTCNDRLISCHBLW-LJQANCHMSA-N 468.558 2.450 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 1301587083 QUGUKWORKINXBB-LJQANCHMSA-N 472.615 2.390 30 10 JEEE CCOC1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(CCOC)C(=O)C2)CCCC1 1314148372 GWGRWZPDISVDEN-UHFFFAOYSA-N 452.559 2.461 30 10 JEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN(C)Cc1ccccc1 1358946231 NIRXMCGXDKNQQN-UHFFFAOYSA-N 451.600 2.440 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1ccccc1COCC)[C@H]1CCS(=O)(=O)C1 1358966639 SRUGGARXJSSNPB-QHCPKHFHSA-N 496.637 2.351 30 10 JEEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1C[C@@H](F)COC)[C@H]1CCS(=O)(=O)C1 1358967428 KETLQLLZFUQLOD-SJORKVTESA-N 470.954 2.122 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@@H]1CCSC1)[C@@H]1CCS(=O)(=O)C1 1358968032 XZTWLXAZZJRIMG-DLBZAZTESA-N 464.588 2.376 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCNC(=O)c2ccco2)CC1 1359039851 YQOPVZYPPRDTCL-IBGZPJMESA-N 497.600 2.128 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@]2(OC)CCOC2)CC1 1359041032 LSOZQGVERJYDAC-BVZFJXPGSA-N 485.560 2.329 30 10 JEEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(CCC(N)=O)CC1 1359054655 CIYPKUIBEXKPJV-UHFFFAOYSA-N 479.610 2.040 30 10 JEEE C=C(Br)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1359086763 IASUMDVECCTKPJ-GOSISDBHSA-N 469.409 2.063 30 10 JEEE C=CCCCn1c(COc2cc(C)ccc2C)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1359218999 CIMXAOOLERNKJM-UHFFFAOYSA-N 466.586 2.367 30 10 JEEE C=CCCOCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCNC(=O)C1 1359224041 DOVUZBBYVHIPRP-UHFFFAOYSA-N 450.337 2.245 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCCN1S(C)(=O)=O 1359277306 ILWHZSFXMIOCFI-RTBURBONSA-N 463.604 2.424 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)ccc2Br)nnc1N(C)Cc1cnccn1 1359294286 PMHDETONKJTVPO-UHFFFAOYSA-N 472.347 2.445 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](Oc2ccccc2Cl)C1 1359331708 GNOPOROMHQGIKW-DOTOQJQBSA-N 479.990 2.141 30 10 JEEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1359336276 KJUUGRUNDLAPRU-INIZCTEOSA-N 460.608 2.008 30 10 JEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C[C@H]2CCCc3ccccc32)C(=O)OC)cc1 1447435510 NNROWNBYXXZUTN-KNQAVFIVSA-N 454.548 2.380 30 10 JEEE COc1cc(OC)cc(N2CC[C@@H](NC(=O)N3CCO[C@@H](c4cccc(C#N)c4)C3)C2=O)c1 1469235389 FLHYNAJMRNTAKD-FGZHOGPDSA-N 450.495 2.464 30 10 JEEE C#CCN(C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1479102975 OXCGXLAUJIOMTN-ZKMPZPQNSA-N 481.618 2.495 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)Nc3ccccn3)n2C[C@](C)(O)c2ccco2)c1 1507547155 JWYMXTYKOPVGAM-SANMLTNESA-N 499.531 2.482 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1ccccc1OCC)[C@@H]1CCS(=O)(=O)C1 1507630999 KPGMPGIQPFZCEB-HXUWFJFHSA-N 451.552 2.414 30 10 JEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1C[C@H]1CCCN1CC)[C@H]1CCS(=O)(=O)C1 1507633211 CIFDENQURGZHEQ-YADHBBJMSA-N 485.654 2.183 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@H](C)Oc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1507634892 OFKIFJOEUUVFHT-PZJWPPBQSA-N 495.605 2.367 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H](CC)NC(=O)OC(C)(C)C)CC1 1507739145 NKUPCLMGTVEUPQ-PMACEKPBSA-N 488.633 2.441 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1507804059 JPQHCRCNPNQABU-CUWPLCDZSA-N 459.978 2.455 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(Oc2ccc(OC)cc2)CC1 1508070982 HHFVZMWZVQJSKA-UHFFFAOYSA-N 491.552 2.284 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@](C)(CC)C1 1508071918 GBYVTMBVOMOFEV-LJQANCHMSA-N 451.369 2.354 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc3ccccc3o2)nnc1N1CCN(CCOC)[C@H](C)C1 1508133213 DXYDTRVYECJBIM-GOSISDBHSA-N 473.599 2.449 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN1CCOC(C)(C)C1 1509949324 HFXKZJUBQAGBIL-KRWDZBQOSA-N 460.604 2.198 30 10 JEEE CCOC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N2CCOCC2)C1 1516631280 FTRKLTSJYQIOGB-FQEVSTJZSA-N 452.559 2.319 30 10 JEEE CS[C@@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1519744211 HVZLDTOPEVEKIS-FXAWDEMLSA-N 490.655 2.199 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OCC)CCOC3)n2Cc2cnn(C)c2C)c1 1539039796 IEVJHKWTVVDMKT-RUZDIDTESA-N 477.569 2.077 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1ccccc1[N+](=O)[O-])C1CC1 1539124062 BUHYBDHNZNOABP-FQEVSTJZSA-N 488.570 2.102 30 10 JEEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCNC(=O)c1ccccc1F 1539175943 DQNGQSAOLBXUHR-UHFFFAOYSA-N 462.533 2.091 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1CCCS(=O)(=O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1539202958 MFOKWQKDODVNTJ-GOSISDBHSA-N 478.640 2.066 30 10 JEEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1ccc(CS(C)(=O)=O)cc1)[C@H]1CCS(=O)(=O)C1 1539203319 PKQGOTPSJRZZJG-PXNSSMCTSA-N 478.640 2.011 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Cl)n1Cc1cnn(CCOC)c1)[C@@H]1CCS(=O)(=O)C1 1539212128 SCFNXKQIBZLTIW-GOSISDBHSA-N 489.001 2.116 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1Cc1c(F)cccc1OC(F)F)[C@@H]1CCS(=O)(=O)C1 1539216101 NPAIBIJJMBVBSI-CQSZACIVSA-N 492.483 2.151 30 10 JEEE C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1CC1(S(C)(=O)=O)CCCC1 1539421348 PZDXESDJBXDGIF-UHFFFAOYSA-N 451.618 2.077 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CC1CCN(CC(F)(F)F)CC1 1539539675 WYKGCYRGBPLVLW-HNAYVOBHSA-N 476.569 2.155 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(O)(c2ccccc2)CC1 1539751407 MQNQTURDULAFFN-LJQANCHMSA-N 460.600 2.261 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c(-c2cnccn2)nnc1N1CC[C@@]2(CCC(=O)N2)C1)C(C)C 1540152657 ZSAVHTYSNZVXHA-RDPSFJRHSA-N 450.591 2.293 30 10 JEEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1540870579 QQGOORWWYLKKGE-CALCHBBNSA-N 474.560 2.482 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1540880046 VTJNIIGHRSNPLQ-KRWDZBQOSA-N 456.547 2.306 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@@H](C)C1 1540881078 XYECXGPLUNAEEX-FXAWDEMLSA-N 493.655 2.166 30 10 JEEE COc1ccc(C(=O)N2CCN(c3ccc(C#N)c(C(F)(F)F)c3)C[C@@H]2C(N)=O)cc1OC 1548368012 GJIOHLSADZYYEK-QGZVFWFLSA-N 462.428 2.411 30 10 JEEE COc1ccc(CCc2nnc(N3CCC[C@@](C)(C#N)C3)n2CC2(C(N)=O)CCOCC2)cc1 1554893738 GTKXDUZXEQVKPP-DEOSSOPVSA-N 466.586 2.484 30 10 JEEE N#Cc1ccc(F)c(CS(=O)(=O)N2CCNC(=O)[C@@H]2c2cccc(Br)c2)c1 1561384159 GSWPRIBJBAOULX-KRWDZBQOSA-N 452.305 2.463 30 10 JEEE C#CC[C@H](NC(=O)N1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1)c1ccccc1 1564384429 ANMLYTZPQACJMN-NRFANRHFSA-N 454.552 2.459 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H]1CCc2ccccc21 1587639401 LJFMACHZFQPPBO-HFSMHLIXSA-N 457.600 2.189 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1ccccc1)N(CC)CC 1587641080 XDQLIWMWFJMRAD-BVSLBCMMSA-N 488.658 2.152 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc(C)o3)n2CC(=O)NCC(F)F)c1 1587689571 LSDUFDIJIJUFCJ-UHFFFAOYSA-N 456.453 2.284 30 10 JEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1 1587807841 JLGUUWPXSDYPPN-INIZCTEOSA-N 468.624 2.185 30 10 JEEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccccc1CN1CCC[C@H]1CO 1588025028 RJVNHNPBMNQMQL-VABKMULXSA-N 453.587 2.077 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCc1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1588049933 NMFDKQKEIVTWDB-SFHVURJKSA-N 454.556 2.123 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1588074031 HOJCYOGKPNRASN-MTQWCTHYSA-N 464.632 2.250 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CC(=O)N(C)Cc2ccccc2)CC1 1588884624 HLJMRJROPZBNIH-UHFFFAOYSA-N 450.587 2.200 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H]2CCCCO2)CC1 1588884705 KVIZVKIRJCKYLZ-OAQYLSRUSA-N 499.015 2.396 30 10 JEEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1589036253 ASOFVCQLTZEYMV-JOCHJYFZSA-N 457.556 2.360 30 10 JEEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCNC(=O)c1ccco1 1594963605 VHWDUXKQWJJPSS-INIZCTEOSA-N 460.535 2.232 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCOC2)n1CCS(=O)(=O)N(C)C 1595134105 SDCSIGCAOBHNNS-GOSISDBHSA-N 451.568 2.395 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1nncn1C 1595296991 KXQBNIXCNJDPPA-KRWDZBQOSA-N 460.583 2.208 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2Cc2nncn2C)C1 1595721871 HHTCLPLRDJLLBH-MSOLQXFVSA-N 472.594 2.351 30 10 JEEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](O)(c2ccccc2F)C1 1595845511 VCJKJHGYGQRRCR-YWZLYKJASA-N 469.608 2.045 30 10 JEEE CC(C)NC(=O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@](F)(C#N)C1 1610076639 AZSWMKIOSVJIEG-AOMKIAJQSA-N 463.558 2.359 30 10 JEEE Cc1cccc(O[C@@H](C)c2nnc(N3CCO[C@@H](C#N)C3)n2CCCN2CCOCC2)c1C 1611828357 FLFNJDBLJAACRQ-SFTDATJTSA-N 454.575 2.486 30 10 JEEE C#CCN(C(=O)Nc1ccnn1Cc1ccc(OC(F)(F)F)cc1)[C@H]1CCS(=O)(=O)C1 1624047861 LGIOSMSUIWANTN-HNNXBMFYSA-N 456.446 2.484 30 10 JEEE C=CC[C@@H](CO)CNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(Br)s1 1624242466 CKUKMBMZRLTVNT-OLZOCXBDSA-N 451.408 2.355 30 10 JEEE C=CCNC(=O)c1ccccc1NC(=O)CNS(=O)(=O)c1ccc(Br)s1 1624894204 SSOUAFXZCBSGQQ-UHFFFAOYSA-N 458.359 2.343 30 10 JEEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2cccc(C(=O)N3CCC[C@@H](CO)C3)c2)cc1 1637769941 ZBZNMTSNONZIQV-QGZVFWFLSA-N 457.552 2.248 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](C)CN1CCOCC1 1689852853 LRYZBKWDXDCXFG-AABGKKOBSA-N 476.622 2.013 30 10 JEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2csc(CC)n2)CC1 1689893072 SYGLJGADRKZWNO-SFHVURJKSA-N 476.672 2.325 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1689982312 KPDJDEYOULVEOX-IERDGZPVSA-N 468.526 2.334 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2cnccc2OC)CC1 1690137697 GZFVZDDHBMGHOJ-UHFFFAOYSA-N 498.385 2.453 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H]2CCCCN2CCC)CC1 1690146635 SMOFMDSUGNNSFD-VXKWHMMOSA-N 456.635 2.402 30 10 JEEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1690186385 OTTXFTFKBHVIMO-GGUMNFRJSA-N 488.658 2.378 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(C)=O)CC1 1690254272 ZDYXISOHVQZOJA-NFBKMPQASA-N 450.543 2.378 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCN(C(=O)C(C)C)CC1 1690675881 ILCOUYBADLUVEP-UHFFFAOYSA-N 454.575 2.081 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C(C)C)C1 1690682082 DAAPUQAVUPYMIM-PXNSSMCTSA-N 463.604 2.363 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1CCCNS(C)(=O)=O 1705482713 FRSYHWSOMFZXPA-AWEZNQCLSA-N 454.394 2.413 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCO[C@H]2C(=C)C)c1 1705506593 BXYKMJDGUOXKQZ-MZKRTTBSSA-N 497.621 2.218 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1cccc(COC)c1)[C@H]1CCS(=O)(=O)C1 1705564168 MELDNTNXONTFNN-NRFANRHFSA-N 451.552 2.162 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCN2CCCCCC2=O)CC1 1705634155 LNICJGWYXMGHQB-UHFFFAOYSA-N 465.558 2.401 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2Cc2ccc(OC)c(OC)c2OC)CC1 1705649171 NBBJWPWXJLTHAU-UHFFFAOYSA-N 478.553 2.313 30 10 JEEE C#CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1705662221 SWUKBLVJOTYATM-HXUWFJFHSA-N 491.639 2.017 30 10 JEEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1705663134 XJUFXZZIEALAJI-SZPZYZBQSA-N 495.697 2.257 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@H](COC(C)C)C1 1705722265 DHANRFBGAVAERR-LJQANCHMSA-N 463.604 2.402 30 10 JEEE C=C(Cl)Cn1c(N2CCC(C(=O)NCCOC)CC2)nnc1[C@]1(OC(C)C)CCOC1 1705760149 BINOCKSWYGEGCQ-NRFANRHFSA-N 455.987 2.050 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCc2ccc(Br)cc2C1 1705927550 ANLXGJZRGBEZJO-UHFFFAOYSA-N 496.431 2.342 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@@H](C)O[C@H](C)C1 1705928132 LTFNJWPJHPWCMU-QZTJIDSGSA-N 461.588 2.362 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCO[C@@H](Cc2ccccc2)C1 1705932205 OTKMRCJAAHSXMI-NRFANRHFSA-N 453.568 2.389 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCNC(=O)c1ccccc1F 1722294205 PQLFYLUZVWOJML-INIZCTEOSA-N 483.573 2.265 30 10 JEEE C#CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1722336962 SCIFOHCDRGVHQC-GOSISDBHSA-N 482.610 2.492 30 10 JEEE C#CCCCn1c(CCOc2ccccc2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1722338407 HPVOJYWOLNQTGU-ZJSXRUAMSA-N 464.614 2.302 30 10 JEEE C#CCCCn1c(N2CCN(c3nccc(OCC)n3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1722340841 KBADVXJALRIHBY-DEOSSOPVSA-N 469.590 2.247 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1Cc1nccc(C(F)F)n1)[C@@H]1CCS(=O)(=O)C1 1722360631 BHHKCWCLVGARJL-QGZVFWFLSA-N 483.504 2.219 30 10 JEEE C#CCN(c1nnc(-c2ccccc2F)n1CCN1CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1722361271 GPOJMIZMPKVCEV-OALUTQOASA-N 459.591 2.443 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCN(C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1722365194 CJUCXFHDNKUVOI-OAQYLSRUSA-N 464.595 2.412 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](C1CC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1722371752 XZFUCTGMZRMVOQ-DOIPELPJSA-N 477.675 2.164 30 10 JEEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCN1CCCCC1=O 1722413714 QDCFVKGFLXZMKF-LJQANCHMSA-N 474.606 2.449 30 10 JEEE C=C(Br)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1722479181 CQWFNLBSWFTQDL-LSDHHAIUSA-N 483.344 2.371 30 10 JEEE C=CCN(c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCS(C)(=O)=O)C1CC1 1722646294 GLEDYRQLILXTRA-UHFFFAOYSA-N 466.633 2.136 30 10 JEEE CC(C)[C@H]1OCCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(C#N)C1 1723940833 DGBZHHMJPGYNTN-XKGFGPFHSA-N 452.625 2.470 30 10 JEEE CCNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@](C)(O)[C@H](C)CC)CC1 1728676244 CNDQKEDIWLMJHY-HOYKHHGWSA-N 469.590 2.377 30 10 JEEE COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(OC)nc2)CCO1 1730608672 DYDACXGAVJUIDM-HXUWFJFHSA-N 450.499 2.032 30 10 JEEE C#CCCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(CNS(C)(=O)=O)CC1 1740572872 ZWFYCOOGPGHCNQ-UHFFFAOYSA-N 459.572 2.243 30 10 JEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(C)(C)CN(C)C 1740633083 USUHPUDTGKLYOL-UHFFFAOYSA-N 455.632 2.207 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H]1CCOC[C@H]1OC 1740669216 RGDXRJIOHYBACL-YLJYHZDGSA-N 450.543 2.186 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)(C)C)n2Cc2cccc(C(=O)NC)c2)n1 1740687457 FKWHFMSLQQFXRO-UHFFFAOYSA-N 463.586 2.466 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C)cc2F)n1 1740688783 JLEWEUFCLADFPH-NRFANRHFSA-N 465.533 2.208 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(OCC)cc3)n2CCc2n[nH]c(C)n2)CC1 1740690955 QXRRHCDYNTYVIL-GOSISDBHSA-N 464.574 2.241 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@@H]2CCCCO2)CC1 1740697414 DCZFVGWEEXXLED-IBGZPJMESA-N 455.559 2.295 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H]2CCN(CCC)C2)CC1 1740699037 YTYSJLJQYPDBIH-HXUWFJFHSA-N 452.603 2.449 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2Cc2nnc(CC)s2)CC1 1740707725 NKYGNYBMARNCEH-UHFFFAOYSA-N 483.573 2.424 30 10 JEEE C#CCSCCn1c(-c2cccc3cccnc23)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1740713512 GZLILXNGEBVZMD-IBGZPJMESA-N 465.604 2.486 30 10 JEEE C=C(C)COCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CC[C@](C)(C(N)=O)C1 1740792336 HRXUQFGIWKQKHM-VWLOTQADSA-N 479.585 2.359 30 10 JEEE C=CCn1c(COc2ccc(OC)cc2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1740948778 FPVMLEKOQUEYCL-AVRDEDQJSA-N 454.575 2.041 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1740956496 MHCNOIYAUBHQCA-MRXNPFEDSA-N 491.980 2.026 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(OC(C)C)nc2)C1 1740981027 NLGBCHYJWAFJKQ-RBUKOAKNSA-N 461.588 2.192 30 10 JEEE CCn1nc(-c2nnc(N(C)[C@H](C)CC#N)n2CCCN2CCC(O)CC2)c2ccccc2c1=O 1746469217 AITSBJWYLSYXLU-GOSISDBHSA-N 478.601 2.260 30 10 JEEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2[C@@H]2C[C@H]2C(C)C)C1 1746551255 CSBPGNHCEPFXIF-HSALFYBXSA-N 458.588 2.464 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1cccc(C(OC)OC)c1)[C@H]1CCS(=O)(=O)C1 1748815643 SMGVFSZEADEOLH-LEWJYISDSA-N 488.610 2.486 30 10 JEEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1CCN(C(C)=O)CC1 1748926533 VPBNMQNUJFJSCP-UHFFFAOYSA-N 450.591 2.170 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1(N(C)C)CCOCC1 1748970552 JEXLYAWWMXOTCT-BGYRXZFFSA-N 490.649 2.246 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccc3c(c2)OCCCO3)CC1 1748971429 PBGJECMJKKHWDI-UHFFFAOYSA-N 466.586 2.161 30 10 JEEE C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(C)o1 1749104152 MICMQDGONIZGGI-OAHLLOKOSA-N 474.381 2.057 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCS(=O)(=O)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1749141017 WMOVOJAGEZBIHN-YRXWBPOGSA-N 495.646 2.265 30 10 JEEE C=C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC2(NC(=O)OC(C)(C)C)COC2)CC1 1749317932 XPMBMBCFDWWWDL-ROUUACIJSA-N 463.579 2.452 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nccs1 1749584828 RZRPFTIHTNPZEV-IBGZPJMESA-N 488.639 2.351 30 10 JEEE C=CCOc1ccc(Cn2c(C)nnc2N2CCN(CC(=O)Nc3cc(C)on3)CC2)cc1 1749684029 NWOYWQOHWQWZOA-UHFFFAOYSA-N 451.531 2.257 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC[C@H]2COCCO2)C1 1749712329 IHDMXCLEEIWZJT-HSALFYBXSA-N 493.605 2.173 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(CCc3ccccc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1749716769 AWIVISFZTZPJEU-RTWAWAEBSA-N 459.616 2.126 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC2(CCOCC2)C1 1749740117 QIJDLHBXPPNMQK-UHFFFAOYSA-N 471.583 2.336 30 10 JEEE C#CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1760139064 PYKQPHVDZBWPFQ-RTBURBONSA-N 495.646 2.403 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccc(C)cc1N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1760181838 CDLKULOKHSYTPG-NRFANRHFSA-N 485.654 2.396 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCc1ccccc1OC(F)F)[C@@H]1CCS(=O)(=O)C1 1760188389 KLGJPRZZVBJXMK-GOSISDBHSA-N 490.536 2.149 30 10 JEEE C#CCN(c1nnc(COc2ccccc2CC)n1C[C@@H]1CC=CCO1)[C@@H]1CCS(=O)(=O)C1 1760192123 RBBOFZAJOQNQJW-RTWAWAEBSA-N 470.595 2.391 30 10 JEEE C#CCN(c1nnc(COCC)n1CC1(N2CCSCC2)CCCCC1)[C@H]1CCS(=O)(=O)C1 1760192144 FEZWGALYHRPUTG-FQEVSTJZSA-N 495.715 2.193 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2ccccc2F)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1760204361 NDFOHOPYYFPFBL-RBBKRZOGSA-N 469.586 2.285 30 10 JEEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1760229760 DJRGCPSQVWOGQH-OALUTQOASA-N 463.590 2.268 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(NC(=O)NC(C)C)cc2)CC1 1760258855 CUUMLCIUDRCTOR-FQEVSTJZSA-N 451.575 2.115 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@@H]2N(C)CCCC2(C)C)CC1 1760265887 LJMSFGCPVGKELK-CTNGQTDRSA-N 474.650 2.088 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CCSC 1760322276 QENLVMTZQXVGOX-MKXGPGLRSA-N 487.692 2.170 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1760335760 QJMDSCUGPOHNDI-BNDYYXHWSA-N 469.590 2.084 30 10 JEEE C=C(C)COCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(C(=O)OC)CC1 1760352041 NJVSWLMVHMIWNH-UHFFFAOYSA-N 476.965 2.343 30 10 JEEE C=CC1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCNS(=O)(=O)CC)CC1 1760400490 CTYQCUZTLPLUKX-UHFFFAOYSA-N 455.588 2.473 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1 1760523680 FPUHRTYJHXTNFN-GOSISDBHSA-N 472.977 2.090 30 10 JEEE C[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1)c1nccs1 1761396007 HPQMDNNMBKFGTN-INIZCTEOSA-N 451.556 2.372 30 10 JEEE CCC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(c3cc(C#N)ccn3)CC2)CCCC1 1764398536 APKIMXKYSLXCQZ-SFHVURJKSA-N 486.646 2.452 30 10 JEEE CN(C)CC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](CC(N)=O)C1 1766923251 GSMCTHVTDRLKPM-LJQANCHMSA-N 453.591 2.408 30 10 JEEE CO[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC=C(c2ccc(C#N)cc2)CC1)C1CC1 1768076911 BYIAFHLMAVWJPT-IERDGZPVSA-N 470.599 2.479 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCC=CO1 1771100124 GZNBRMLMSVBJKE-RTWAWAEBSA-N 471.583 2.398 30 10 JEEE C=CCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O 1861833514 MIZMIAKVJLBMBZ-QFIPXVFZSA-N 473.485 2.425 30 10 JEEE C=CCN(CC=C)C(=O)[C@@H]1CSCN1C(=O)[C@@H]1CC(=O)N(c2ccc(C(=O)OCC)cc2)C1 1862183431 VQRLPKJAXRWIJA-QUCCMNQESA-N 471.579 2.318 30 10 JEEE COc1cc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2CCNC(C)=O)cc(OC)c1O 1862762054 ZYXSLNNFMWRHQY-LJQANCHMSA-N 485.449 2.032 30 10 JEEE CC[C@H](C)[C@@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)NC[C@H](c1ccc(O)cc1)N(C)C 1869933638 LAFCKGBKPIDNMX-NYSBEXSLSA-N 458.584 2.265 30 10 JEEE CN1C(=O)c2ccc(-n3nnc(C#N)c3NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])cc2C1=O 1870158212 WQAWFXLXJWVRML-UHFFFAOYSA-N 451.786 2.179 30 10 JEEE CCCCCCCCn1cc(OCC(=O)NCCCC)c(=O)cc1CN(CCO)CCO 1870517546 MKICPKMAUBZDHR-UHFFFAOYSA-N 453.624 2.291 30 10 JEEE C=CCn1c(C(=O)NCCOC)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873591807 RLQBTBYUAQHPKU-UHFFFAOYSA-N 450.543 2.329 30 10 JEEE COC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)(C)C)C2)n1/N=C/c1ccc(OC)c(O)c1 1874277152 LKYUYFULYKQHQI-GGPGUOJZSA-N 461.544 2.254 30 10 JEEE N#Cc1ccc(S(=O)(=O)N2CC[C@@H](COc3ccc4nnc(C(F)(F)F)n4n3)C2)cc1 1890307145 JLYFGHQBLGXMAB-CYBMUJFWSA-N 452.418 2.104 30 10 JEEE CCN1CCN(CC#CCOC2CCN(S(=O)(=O)c3cccc(Cl)c3F)CC2)CC1 1890486207 MZTHCAUJGSVZGM-UHFFFAOYSA-N 457.999 2.290 30 10 JEEE CCN(CC)c1cccc(OCC#CCNC(=O)[C@@H]2CCCN2S(=O)(=O)c2c(C)noc2C)c1 1891125584 XCOQZAPZZRUXNX-QFIPXVFZSA-N 488.610 2.489 30 10 JEEE C#CCN(C(=O)[C@@H]1C[C@H](O)CN1C(=O)OC(C)(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 2080578640 IWZGESRLURZRNQ-ROUUACIJSA-N 451.564 2.218 30 10 JEEE CN(C)CCN(CC(=O)NCc1cccc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)OC(C)(C)C 2180985451 POMBLRMJYNXIFI-UHFFFAOYSA-N 461.412 2.401 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1COC[C@@H]1NC(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2255704087 CHKWZBCHQJUZST-ZFWWWQNUSA-N 452.382 2.317 30 10 JEEE CN(CCOCCN(C)C(=O)c1nscc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2266998649 RURHLGXATOFYNJ-UHFFFAOYSA-N 469.413 2.398 30 10 JEEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@H]3COCCN3Cc3ccccc3)s2)OC1(C)C 2267377681 KDFSCGVRPPPPHP-SFHVURJKSA-N 478.445 2.227 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@@]2(CCNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2281985682 LJKUNPIIPNQZIG-IQMFZBJNSA-N 460.384 2.476 30 10 JEEE CC(C)(C)OC(=O)N1[C@H](CNC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C[C@@H]2COC[C@H]21 2281999535 FRHQWGXLPFNBDR-IJEWVQPXSA-N 479.408 2.197 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@@H](C(C)(C)NC(=O)OC(C)(C)C)C1 2282021780 BSCXYEIROXRRIL-OAHLLOKOSA-N 462.400 2.485 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)CC23CC3)n1 2282035117 QXYYPHFOUXSIIG-HNNXBMFYSA-N 460.384 2.381 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C[C@H]1CO 2282175054 JALCJFLJEHMFEA-HKUYNNGSSA-N 460.380 2.334 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H]2CC[C@H]1N2C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2282178738 IGPNIXWTLXFMCL-BFYDXBDKSA-N 458.368 2.294 30 10 JEEE C[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CN1S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282355066 YFCMGIQKEJZKQQ-RDJZCZTQSA-N 481.424 2.447 30 10 JEEE CN(C[C@H](O)COCc1ccccc1)S(=O)(=O)Cc1ccccc1B1OC(C)(C)C(C)(C)O1 2282510107 UPYNXKBYYSUHMX-NRFANRHFSA-N 475.416 2.325 30 10 JEEE Cn1cc(C(=O)N2C[C@@H](CNC(=O)OC(C)(C)C)CC2(C)C)nc1B1OC(C)(C)C(C)(C)O1 2282556080 CFFORKKAYZTYGE-OAHLLOKOSA-N 462.400 2.485 30 10 JEEE COc1ccc(S(=O)(=O)NC[C@@H]2CCN2C(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2282881694 AXQTYDSGGWOVGL-HNNXBMFYSA-N 482.408 2.282 30 10 JEEE CC(C)(C)OC(=O)N[C@]12CO[C@](C(=O)NCc3ccccc3B3OC(C)(C)C(C)(C)O3)(C1)C2 2284056786 NZKWHQFVHMKWPT-RQNOJGIXSA-N 458.364 2.428 30 10 JEEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@H](COCc3ccccc3)CC(=O)O)cc2)OC1(C)C 2284406594 ADEYVNWNSJQDIO-IBGZPJMESA-N 475.372 2.324 30 10 JEEE CC(C)(C)OC(=O)N1CC(c2nc(=NC(=O)c3nscc3B3OC(C)(C)C(C)(C)O3)s[nH]2)C1 2296456753 KEIWPPPBXFMPSH-UHFFFAOYSA-N 493.420 2.302 30 10 JEEE NC(=O)CSc1nnc(NC(=O)CSc2n[nH]c(NN=CC=Cc3ccccc3)n2)s1 2313922007 ZZDRNVCZSGDTCH-UHFFFAOYSA-N 475.585 2.076 30 10 JEEE COC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)(C)C)C2)n1N=Cc1ccc(O)c(OC)c1 2327876086 FTOQQMYSGRVGDA-CQSZACIVSA-N 461.544 2.254 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)n1C 2362330363 AKCSVYSGQOWPFU-HOTGVXAUSA-N 462.400 2.451 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2C[C@@H](C)CN(C(=O)OC(C)(C)C)C2)n1C 2362334180 WTLJMCIJBYSLIA-GDBMZVCRSA-N 462.400 2.403 30 10 JEEE C[C@H]1CCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)C[C@H]1CNC(=O)OC(C)(C)C 2362352870 HCTRKXIQZJCKSC-JKSUJKDBSA-N 462.400 2.342 30 10 JEEE COc1nc(O[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2N(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2365372294 BPDCSPXRSQDIGQ-IAGOWNOFSA-N 463.384 2.318 30 10 JEEE C=CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1nnc(SCC(N)=O)s1 20831278 WXRGTQPAORXRJN-UHFFFAOYSA-N 477.597 2.203 30 10 JEEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(S(=O)(=O)N[C@H](C)CC)cc2)cc1 47157301 VBNGGELETSBIAV-OAHLLOKOSA-N 451.570 2.480 30 10 JEEE CCc1nnc(CN(CC)C(=O)CSc2n[nH]c(N/N=C/c3ccccc3[N+](=O)[O-])n2)o1 59844357 HFJSNUSAYLONTO-DJKKODMXSA-N 459.492 2.245 30 10 JEEE Cc1nn(CCO)c(C)c1/C=N/Nc1nc(SCCC(=O)Nc2cccc([N+](=O)[O-])c2)n[nH]1 59888137 LNQIZWNMGDGJBN-RGVLZGJSSA-N 473.519 2.085 30 10 JEEE COC(=O)c1ccc([C@H]2/C(=C(/O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN(C)C)cc1 102694371 VUECJBMJNZXFTI-AGGMBTAESA-N 466.490 2.228 30 10 JEEE CCOC(=O)[C@@H]1CCCN(C(=O)C(/C=C2/C(=O)ONN2c2ccccc2)=NC(=O)c2ccccc2)C1 585673778 SESOZAYXXBNGHU-MFYNZSDNSA-N 490.516 2.436 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)N(C)CC(=O)Nc3ccc(Br)cn3)cc2C1=O 589059014 WDZUTCQJRLDHJR-UHFFFAOYSA-N 457.284 2.337 30 10 JEEE Cc1ccc(C(=O)NCC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc1S(=O)(=O)NCC#N 731193823 FAGWEVGHGPDASY-MRXNPFEDSA-N 450.561 2.174 30 10 JEEE C=CCn1c(S)nnc1Cc1csc(NC(=O)[C@@H]2CCN(C)C[C@@H]2c2cnn(C)c2)n1 849491984 BKEKDIVVXMPCIY-HZPDHXFCSA-N 458.617 2.208 30 10 JEEE CC(C)Sc1nnc(NC(=O)CSc2nnc(NN=Cc3cnn(C(C)C)c3)n2N)s1 1084275406 NCPVNVMXENFXOR-UHFFFAOYSA-N 481.637 2.298 30 10 JEEE CC#CCS(=O)(=O)c1cccc(C(=O)NCc2ccc(N3CCN(C(C)=O)CC3)cc2)c1 1138230286 MTSRJFOYTKQDFL-UHFFFAOYSA-N 453.564 2.082 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1CCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)C1 1190729395 AGXLFPKYPVJSTN-RXVVDRJESA-N 459.566 2.381 30 10 JEEE C#CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1286340352 YFJPAYBTBAACLS-UHFFFAOYSA-N 454.575 2.022 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCNC(=O)C(C)C 1286414572 ZJMMSDKMMHXRJM-LJQANCHMSA-N 456.591 2.238 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1CCOc1ccc2c(c1)OCO2 1286423072 QLCYZELMFLKHFX-XMMPIXPASA-N 452.511 2.201 30 10 JEEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1C[C@@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1286438017 TYRFTYQGHJAJPM-MIOZMULLSA-N 489.617 2.414 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2CC2(O)CC(OCC)C2)CC1 1286493324 UJWWAYOXIYRTFR-UHFFFAOYSA-N 481.597 2.061 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCc2nnc(C)s2)C1 1286799147 RXIPJVAGFKFMNO-MRXNPFEDSA-N 454.560 2.499 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(OC)c(OC)c2)C1 1286809182 HATSWWYQRUBYKA-QZTJIDSGSA-N 462.572 2.027 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC(Oc2ccc(OC)cc2)CC1 1286818253 FCUZOZACVOPCGT-UHFFFAOYSA-N 484.582 2.392 30 10 JEEE CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOCC(F)(F)C(F)F)CC1 1286877223 VKDCCJZVENQUGR-UHFFFAOYSA-N 454.428 2.402 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2CC2(O)CCN(C(C)C)CC2)c1 1300334028 HGNHFUMDERNHPL-JOCHJYFZSA-N 494.640 2.464 30 10 JEEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1300344825 JIZAAHPRZPZCDC-LJQANCHMSA-N 464.613 2.166 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1C[C@H]1CN(CC(C)C)CCO1)[C@H]1CCS(=O)(=O)C1 1300488854 HDEQHDFJKZNPCD-BJKOFHAPSA-N 499.681 2.491 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCC(=O)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 1300499380 RBLIKEYBHARYGE-NRFANRHFSA-N 487.601 2.037 30 10 JEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](OCc2cccc(OC)c2)C1 1300755976 BNYIWPFISSGXLJ-UXHICEINSA-N 455.584 2.400 30 10 JEEE C#CCSCCn1c(CSc2ccccc2OC)nnc1N1CCN2C(=O)NC[C@@H]2C1 1300777004 PZRWNDSGKUDHBU-MRXNPFEDSA-N 458.613 2.159 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCCN1CCCC[C@@H]1C 1300805888 KKHZKRSZERXKGV-YZUZCNPQSA-N 492.690 2.258 30 10 JEEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1301508823 VXJFWUXPUYGQLG-UHFFFAOYSA-N 458.592 2.020 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ccc(C)cc2)CC1 1301588044 BOOPJSQIFFVAFW-HXUWFJFHSA-N 459.616 2.408 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(CC2CCCCC2)CC1 1301589605 UNYMXAFCIZWPMR-FQEVSTJZSA-N 451.637 2.085 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC1(C)COC1)[C@@H]1CCS(=O)(=O)C1 1358956590 IATBFSNDQMLDOB-SJLPKXTDSA-N 462.547 2.220 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@H](OC)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1358965459 VLKDJOAMQBLOQP-YADHBBJMSA-N 465.579 2.278 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1C[C@@](C)(O)c1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 1358966718 VGIOLAGJUJQOSJ-HTAPYJJXSA-N 463.003 2.418 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CC1(O)CCS(=O)(=O)CC1 1358970816 YKLREIXOPFCBQM-UHFFFAOYSA-N 491.617 2.365 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc4c(s3)CCCCC4)n2CCCS(C)(=O)=O)CC1 1359031699 MDQKGJIMCANBBA-UHFFFAOYSA-N 461.657 2.465 30 10 JEEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@H](C)N2CCN(CC)CC2)CC1 1359039190 ZIDHQTJSHXYGRR-DEOSSOPVSA-N 479.673 2.255 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](Cn2cccn2)C1 1359309302 OAFNMSXXCQWJFW-FQEVSTJZSA-N 465.558 2.131 30 10 JEEE CS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)N[C@H]3CCc4cc(C#N)ccc43)CC2)c1 1478586791 FNFUBDPTFBOPSW-NRFANRHFSA-N 452.536 2.117 30 10 JEEE Cc1nccnc1CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CC(N)=O)CC1 1492714096 CVEMWHACJUEJFY-UHFFFAOYSA-N 460.542 2.162 30 10 JEEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCC(CC#N)CC3)n2C[C@](C)(O)C2CC2)c1 1503408119 AZJWTBVVTHYTOE-QHCPKHFHSA-N 472.615 2.486 30 10 JEEE CN(C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2CCOCC2)CC1)S(C)(=O)=O 1503435918 AZWQCDIPPNFSSY-UHFFFAOYSA-N 458.588 2.104 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccsc3)n2C[C@@H]2COCCO2)c1 1507552790 TUKDKAGGPKZEFQ-HXUWFJFHSA-N 451.552 2.402 30 10 JEEE C#CCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCN(CC(=O)N(C)C)CC1 1507577942 TVGVSSWRJLRXLB-UHFFFAOYSA-N 489.418 2.340 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1CC(C)(C)OCC)[C@H]1CCS(=O)(=O)C1 1507629096 JMHPAOLZOOYHLG-KRWDZBQOSA-N 460.556 2.116 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccccc1OCC(C)C)[C@H]1CCS(=O)(=O)C1 1507631641 RMMGGFPTRQTPBH-NRFANRHFSA-N 482.610 2.388 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)N2CCCC2)n1CCN1CCOC[C@@H]1C 1507700104 NXQJGAYUTKCANY-IBGZPJMESA-N 454.550 2.014 30 10 JEEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1CCc2nn(C)c(=O)cc2C1 1507789099 SXGLUDHSSSPDEC-UHFFFAOYSA-N 462.377 2.199 30 10 JEEE C=C(C)COCCn1c(CC(C)C)nnc1N1C[C@@H]2[C@@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1507845261 CJXUMIZYBLLNTQ-QYZOEREBSA-N 497.662 2.196 30 10 JEEE C=CC1CCN(c2nnc(CCN3CCN(c4ccccc4)CC3)n2CCS(C)(=O)=O)CC1 1507903990 IFEASDQEZGQMCU-UHFFFAOYSA-N 472.659 2.090 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@H](CC(N)=O)C1 1508072591 GQDKFFUAQMQZMK-RTBURBONSA-N 454.575 2.429 30 10 JEEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1508095829 WILYNVFYSMWOGR-QGZVFWFLSA-N 450.509 2.438 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@](O)(Cc2cccc(Cl)c2)C1 1508097750 TUPHTOYEUZRQCU-NSXLHWASSA-N 490.004 2.142 30 10 JEEE C=CCOc1ccc(Cn2c(-c3cnn(C)c3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)cc1 1508100898 QUMOSKVQAMOFCY-FQEVSTJZSA-N 456.572 2.305 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2OC)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1508149004 MWVHUUOLSGVPLU-MOPGFXCFSA-N 476.599 2.472 30 10 JEEE CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1Cc1ccc(C)c(OC)c1 1516586150 GXHSVPLLZJHPAN-UHFFFAOYSA-N 464.574 2.420 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCS(=O)(=O)N1CCSCC1 1538973826 PLRUTGCCFMDHGC-QGZVFWFLSA-N 485.639 2.172 30 10 JEEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1539030537 RTWDNRYZDLFSDL-UGKGYDQZSA-N 463.586 2.129 30 10 JEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCN1CCCCC1=O 1539179885 TURNPUWXEHDFEM-SFHVURJKSA-N 460.579 2.059 30 10 JEEE C#CCN(c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC)[C@@H]1CCS(=O)(=O)C1 1539220052 HKMRXHCQZGRRAU-ZWKOTPCHSA-N 465.620 2.429 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@]2(C)COCCO2)CC1 1539434838 VKYRYOBARDCPND-OAQYLSRUSA-N 478.366 2.407 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCN(C)CC(F)(F)F)CC1 1539451943 GBAMZXRTCGTZLH-IBGZPJMESA-N 464.492 2.040 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(CC)cc3)n2CC(C)(C)C(=O)NC)CC1 1539470746 XVZXNEMFNLVFSV-UHFFFAOYSA-N 450.587 2.246 30 10 JEEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCN(CCOC)[C@@H](CCC)C1 1539573983 GKCUVJDUNPOVEH-INIZCTEOSA-N 457.417 2.262 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1539630146 YYQIDNQEYOVMFD-PKOBYXMFSA-N 454.579 2.346 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1539916163 HIAPXIRNDXLUOS-QGZVFWFLSA-N 464.592 2.024 30 10 JEEE C=CCCOCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1540019994 PJMSPQJSAFGUHO-HKUYNNGSSA-N 472.977 2.169 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1)C(C)C 1540152437 UPHQHKLEZMTHNL-MXEMCNAFSA-N 458.607 2.415 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)C[C@H]1CCCO[C@H]1c1ccccc1 1540862091 QUHHBVSOIHUEMT-IRLDBZIGSA-N 466.586 2.420 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@@](C)(OC)C1 1540903187 AHJABAHWEMQDOI-SIKLNZKXSA-N 462.572 2.397 30 10 JEEE CC(C)(C)OC(=O)N1CCC(c2nnc(N3CCO[C@H](C#N)C3)n2Cc2cccc(C(N)=O)c2)CC1 1541200322 CCJIWJBXQVPPFE-HXUWFJFHSA-N 495.584 2.269 30 10 JEEE C=C(C)CN1CCC(NC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 1542973265 HYFCEVSYHXVAHP-FQEVSTJZSA-N 450.561 2.295 30 10 JEEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2CC(=O)N(c3ccccc3Br)C2)n1 1543691253 FEGZFTLRKXCASY-MRXNPFEDSA-N 459.344 2.307 30 10 JEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1587765196 CGZKMNGXOFBRFE-QFIPXVFZSA-N 466.611 2.178 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCOC[C@@H]1OC 1588697147 QIHJQMIJAPLRFB-AABGKKOBSA-N 477.606 2.488 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H](N2CCOCC2)C(F)(F)F)CC1 1588848497 IDAXUNIPCGTUQB-FQEVSTJZSA-N 480.510 2.026 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CCc2ccccc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1589556146 AFIKWBXDZYLKNN-FBHSLPMESA-N 454.571 2.405 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCS(=O)(=O)CC1CC1 1589641830 QDXIQQNRTDKPRH-UHFFFAOYSA-N 470.599 2.419 30 10 JEEE C=CCOc1ccccc1Cn1c(-c2ccc[nH]2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1595648691 GXVTWWZJJJVFHO-SFHVURJKSA-N 456.572 2.404 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](C(F)(F)F)C1 1595822869 KERNSCWJWLHRRA-KRWDZBQOSA-N 485.488 2.097 30 10 JEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2OC)CC1 1595884282 JHRJYKUMHGHPOO-SFHVURJKSA-N 477.656 2.435 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)[C@@H]2CCCN(C(=O)COc3ccccc3)C2)C1 1624812922 AUGCLYIDPVLLLK-HBFSDRIKSA-N 456.543 2.179 30 10 JEEE C#CCC1(O)CCN(C(=O)[C@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc(F)cc2)CC1 1644428801 KUWLFCXVGFULDK-JOCHJYFZSA-N 456.539 2.318 30 10 JEEE C#CCn1ccc(CN(CCOC)S(=O)(=O)Cc2c(Br)cccc2OC)n1 1668983871 QALZJFHZBFOKGX-UHFFFAOYSA-N 456.362 2.266 30 10 JEEE C=CCS(=O)(=O)CCNC(=O)N1CCC([C@H]2OCCC[C@@H]2NC(=O)OC(C)(C)C)CC1 1670882456 ORSOIPHRHABFQR-ZWKOTPCHSA-N 459.609 2.081 30 10 JEEE Cn1ccnc1[C@](O)(CCNC(=O)N1CCN(c2ccc(F)cc2C#N)CC1)C(F)(F)F 1676514689 FWEMBDRVQXUNBV-LJQANCHMSA-N 454.428 2.103 30 10 JEEE C=C[C@@H]1OCC[C@H]1NC(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 1682436655 JNBZXOJGRVUMFN-YRXWBPOGSA-N 450.580 2.267 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CC(O)(CCC)CCC)[C@H]1CCS(=O)(=O)C1 1689990175 MKDYAAUZZJHIJF-OALUTQOASA-N 452.621 2.130 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CCc1cccc(F)c1F)[C@H]1CCS(=O)(=O)C1 1689993313 ARCVBNMIVWZDAN-IBGZPJMESA-N 471.533 2.412 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C/C=C/c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1689998291 IDROLVLXXXZNKY-NZFOZWDQSA-N 470.595 2.342 30 10 JEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1(COC)CCC1 1690003477 OVOGOOCKTBOZQA-UHFFFAOYSA-N 454.600 2.436 30 10 JEEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1CC(F)(F)CNC(=O)OC(C)(C)C 1690003750 WSVFMTSEADHGGY-NRFANRHFSA-N 467.517 2.163 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccc(N(C)C)nc1 1690037305 UNSNJWWEEMVCEY-UHFFFAOYSA-N 462.579 2.321 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2Cc2ccc(C)s2)CC1 1690115217 XDMLLKCLXRHOKU-UHFFFAOYSA-N 484.651 2.369 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCCc2ccc(OC)cc2)CC1 1690141915 FCTDKZDNDDUNHE-UHFFFAOYSA-N 461.570 2.286 30 10 JEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 1690154628 VDAMTNBMGYKKQA-AZUAARDMSA-N 472.663 2.036 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1690250633 JWSXSNOFOFPVDT-OFNKIYASSA-N 472.634 2.465 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(C)=O)CC1 1690254276 ZDYXISOHVQZOJA-REWPJTCUSA-N 450.543 2.378 30 10 JEEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ncc(Cl)cc2Cl)CC1 1690274854 GHRGDTOHNJNMRW-ZDUSSCGKSA-N 474.418 2.493 30 10 JEEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC2(CCCC2)C1 1690312832 DIAYMMQZFDSRDG-IBGZPJMESA-N 467.636 2.364 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1690662181 TXGNHGZZBQSZKF-UHFFFAOYSA-N 486.020 2.035 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C[C@H]2CCOC2)CC1 1690664619 ZSPSESJLYQOZEA-MRXNPFEDSA-N 462.957 2.198 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)c2cccc(Cl)c2)CC1 1690670753 IGZVFSYGQJSAIC-IBGZPJMESA-N 472.977 2.438 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OCC)CCOC3)n2CCNC(=O)C(C)(C)C)c1 1705505871 VIQWJQKHGMOQTQ-SANMLTNESA-N 496.612 2.149 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(Cl)cc1F)[C@@H]1CCS(=O)(=O)C1 1705571989 NMLYEHUDAMMXJJ-HQRMLTQVSA-N 496.992 2.470 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@@H](c2ccc(F)cc2)N(C)C)CC1 1705652563 DZONHBQWSSGIFL-NRFANRHFSA-N 456.566 2.222 30 10 JEEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1Cc2ccccc2[C@H]1C 1705737178 LJVBAQZOAHAGHS-XLIONFOSSA-N 461.588 2.285 30 10 JEEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](O)(c2ccc(F)cc2)C1 1705805142 ACMWAJXOJJXVLO-NFBKMPQASA-N 493.605 2.204 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 1705898577 QDJXXEAINXINDE-MRXNPFEDSA-N 484.944 2.367 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN([C@@H](C)c2cccc(OC)c2)CC1 1705903630 ZBJODFCWXXLZFK-PZJWPPBQSA-N 468.602 2.366 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccccc2F)C[C@H]1C 1705936390 PXISMBONZMRDRX-QZTJIDSGSA-N 463.579 2.237 30 10 JEEE Cc1cccc(O[C@H](C)c2nnc(N3CCO[C@H](C#N)C3)n2CCN2CCOC[C@@H]2C)c1C 1706980095 ANGNVCOQIICTRA-CEWLAPEOSA-N 454.575 2.484 30 10 JEEE CCOC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1710391646 BWZPLDVCOHITOZ-NRFANRHFSA-N 486.642 2.189 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 1722274074 ARVBVHMHOOJTDY-YDZRNGNQSA-N 456.591 2.475 30 10 JEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1722316516 JLJNPUMFBXOJLJ-BBWFWOEESA-N 459.563 2.142 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1OCC(F)(F)F 1722390315 PZIHZOSDGMAVPW-MRXNPFEDSA-N 483.516 2.341 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H](c1ccccc1)N1CCOCC1 1722391830 VUMKWHATCCSQLV-SHQCIBLASA-N 477.609 2.467 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(F)cc3Br)n2CC(=O)NCCC)CC1 1722434276 NIVJXGIKZWJZTA-UHFFFAOYSA-N 463.355 2.128 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC[C@H]1CCCCO1 1722446588 FBZLPEIIXFLLCX-GOSISDBHSA-N 450.543 2.237 30 10 JEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](C(=O)N[C@@H](C)CCC)C1 1722452457 GVUPLZWNDUFSIR-OALUTQOASA-N 460.648 2.402 30 10 JEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 1722458413 IXOHMXNCDWGDBU-WBVHZDCISA-N 488.017 2.499 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(Br)n1 1722502309 TVCYQRQTSQYARW-CYBMUJFWSA-N 457.398 2.497 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(Cc1cccs1)C[C@H]1CCCO1 1722692225 IZCGSKTUNBUIGB-QGZVFWFLSA-N 458.588 2.063 30 10 JEEE C=CCSCCn1c(CC(C)C)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1722741379 JPQFRZUSNOGXPT-UHFFFAOYSA-N 462.664 2.336 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCO[C@H](C)C2)c1 1740564712 VNJPPOJDWLLLKB-YZGWKJHDSA-N 485.610 2.052 30 10 JEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1740581652 CPZGEWGHILGKBS-FQEVSTJZSA-N 457.600 2.063 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1CCCN1CCN(c2ccccc2)CC1 1740644571 LVBUERLMKKDGLT-UHFFFAOYSA-N 461.614 2.092 30 10 JEEE C=C(Br)Cn1c(N2CC[C@@H](N3CCN(CC)CC3)C2)nnc1[C@]1(OCC)CCOC1 1740748104 AAKQLSKEYWBRJH-NQIIRXRSSA-N 483.455 2.055 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1740765296 TXMQACOKORDXBL-SJBKTWHCSA-N 460.623 2.101 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](COCc2ccccc2)C1 1740782469 FEYTUNJVWHMYGE-RTWAWAEBSA-N 475.615 2.230 30 10 JEEE C=CCn1c([C@H]2CCCOC2)nnc1N1C[C@H](NC(=O)OC(C)(C)C)C2(CCS(=O)(=O)CC2)C1 1740947094 OKTPICJXKYNGFE-ROUUACIJSA-N 495.646 2.266 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC(C)C 1740968852 GQLMWJKHVWCHFF-FQEVSTJZSA-N 463.604 2.316 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN(c2ccc(F)c(OC)c2)CC1 1740989530 PQYWZJBUCVGVFP-UHFFFAOYSA-N 486.573 2.415 30 10 JEEE C=CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1741001103 KYBOSDZIZPHCSS-OAHLLOKOSA-N 489.627 2.031 30 10 JEEE C[C@]1(C#N)CCCN(c2nnc(-c3ccccn3)n2CCc2ccc(S(N)(=O)=O)cc2)C1 1741983381 AVJLWDUXLVYQOX-JOCHJYFZSA-N 451.556 2.360 30 10 JEEE CCn1nc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCS(=O)(=O)CC)c2ccccc2c1=O 1746471307 DBEDMJBAMOGUPX-QHCPKHFHSA-N 483.598 2.240 30 10 JEEE COc1cc(Cl)ccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1CCCN1CCC(O)CC1 1748555389 CCTURGIILLZHMZ-SFHVURJKSA-N 460.966 2.183 30 10 JEEE C#CCCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1748753306 DLMPZSSWXHQIPB-OAQYLSRUSA-N 456.541 2.303 30 10 JEEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CCN2[C@@H](C)CC[C@H]2C)CC1 1748765373 DYIYXKDNELJFNG-BJESRGMDSA-N 458.651 2.410 30 10 JEEE C#CCN(c1nnc(-c2ccccc2)n1CCCc1nnc(C)s1)[C@H]1CCS(=O)(=O)C1 1748808162 AIZHFKCGNYSROL-SFHVURJKSA-N 456.597 2.365 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@H]1CCCN1CC)[C@H]1CCS(=O)(=O)C1 1748818651 CXXZIXGEFJDJKL-UXHICEINSA-N 459.591 2.119 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(C(=O)N3CCCC3)n2C[C@@H]2N(C)CCCC2(C)C)n1 1748970724 PCEJJWXVTLPQJQ-QFIPXVFZSA-N 496.660 2.117 30 10 JEEE C#CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1749024587 VRACUGSPMMQMKI-GOSISDBHSA-N 468.627 2.109 30 10 JEEE C=C(C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1749175342 FPFYIYQRSHQPAA-NRFANRHFSA-N 491.614 2.169 30 10 JEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 1749210203 DEKSIFYVNTUQEB-LJQANCHMSA-N 460.623 2.486 30 10 JEEE C=CC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)NC(C)C)CC1 1749347893 ICGFQRRARSSBRG-UHFFFAOYSA-N 458.588 2.459 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC(C(=O)Nc2ccc(C)cn2)CC1 1749663473 GKWKMTAFMIXIEH-UHFFFAOYSA-N 460.542 2.201 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1749696686 WJJUODRPPRCISA-UYAOXDASSA-N 461.588 2.159 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC(NC(=O)c2ccc(F)cc2)CC1 1749741217 UCOXRLGROLRZRB-HXUWFJFHSA-N 491.589 2.268 30 10 JEEE C[C@H](CC#N)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(C)(C)N1CCOCC1 1751090847 AZMSCMZSQYVQSL-QGZVFWFLSA-N 460.604 2.198 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1ccc(C(N)=O)nc1 1760112823 MPRUUCVEALXQND-SJLPKXTDSA-N 467.574 2.393 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2Cc2c(C)nn(C)c2C)c1 1760126261 SGWFUTCZRJWBJB-UHFFFAOYSA-N 455.526 2.190 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1CCCCN1CCN(CC)CC1)[C@H]1CCS(=O)(=O)C1 1760185037 ODKLWBTTWTVKOK-QHCPKHFHSA-N 498.697 2.298 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1760200110 UNGKMCWRJDDTCT-YADHBBJMSA-N 462.579 2.094 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2CCOCC(F)F)CC1 1760254941 QMMOMPIWCYYPQV-UHFFFAOYSA-N 457.323 2.083 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccccc2F)nnc1N1CCN(CC(=O)NCC)CC1 1760323504 CXZFLECGSMBNCU-HYBUGGRVSA-N 470.593 2.247 30 10 JEEE C=C(C)COCCn1c(Cc2ccccc2F)nnc1N1CCCN(S(C)(=O)=O)CC1 1760358120 NWXBNSGMVVCWIK-UHFFFAOYSA-N 451.568 2.072 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 1760523855 JKJDAISFRVZYSG-QGZVFWFLSA-N 487.992 2.378 30 10 JEEE CCOC[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1768041402 CKIHZAKKZBLUNQ-WOJBJXKFSA-N 488.614 2.016 30 10 JEEE O=C(CNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)ON1C(=O)c2ccccc2C1=O 1772793141 UWFXRBGLZSLUQC-UHFFFAOYSA-N 462.789 2.392 30 10 JEEE N#Cc1ccccc1NC(=O)c1nc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)c2ccccn12 1858243084 OWLPYNHHTHPMSP-UHFFFAOYSA-N 488.529 2.078 30 10 JEEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc([N+](=O)[O-])cc1 1862738071 RVUSSOGGRUKLPE-SFHVURJKSA-N 454.395 2.217 30 10 JEEE C=CCN(CC=C)C(=O)[C@H](CCSC)NC(=O)c1ccc(C)c(S(=O)(=O)N(C)C)c1 1868627940 DVTQUUXHRSXLSH-SFHVURJKSA-N 453.630 2.297 30 10 JEEE C=CCn1cc(OCC(=O)NCCCC)c(=O)cc1CNc1ccc2c(c1)C(=O)N(C)C2=O 1870951198 NHUPXRMLBOAIIE-UHFFFAOYSA-N 452.511 2.167 30 10 JEEE COC(=O)c1ccc(CSc2nnc(CNC(C)=O)n2/N=C/c2ccc(C(=O)O)cc2)o1 1874433515 ORVPWRMCIYHIOX-LSFURLLWSA-N 457.468 2.167 30 10 JEEE COc1ccc([C@@H]2[C@H](C(=O)N3CC[C@@H](Oc4cc(C#N)ccn4)C3)OCC(=O)N2C(C)C)cc1 1889702902 LWCVLIRDWQDKHL-AGILITTLSA-N 464.522 2.319 30 10 JEEE Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CCC(=O)N1CC=C(c2cncc(C#N)c2)CC1 1891209136 RTOZRAJWVVFCOQ-NRFANRHFSA-N 453.568 2.375 30 10 JEEE C=CC1(NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C(F)(F)F)CN(C(=O)OC(C)(C)C)C1 2246890644 VBTULNGTXQBDCD-VXGBXAGGSA-N 453.458 2.095 30 10 JEEE CC1(NC(=O)OC(C)(C)C)CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2247954088 YBXOYYJURQCKRC-UHFFFAOYSA-N 458.411 2.335 30 10 JEEE C[C@@H](CNC(=O)OC(C)(C)C)NS(=O)(=O)Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2255793851 CZZKVEGJSIWSHT-HNNXBMFYSA-N 454.398 2.318 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](O)CN(C(=O)c2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2255802989 IDRZYDLWAHBBLN-ZIAGYGMSSA-N 452.382 2.147 30 10 JEEE CC(C)(C)OC(=O)NCC1(O)CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(Cl)s2)C1 2255843863 MXLVRQFABKMGRH-UHFFFAOYSA-N 472.800 2.412 30 10 JEEE C[C@@H](CCNC(=O)OC(C)(C)C)NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2255932795 GQJNTJWZDAQBSH-ZDUSSCGKSA-N 475.442 2.165 30 10 JEEE C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1csc(B2OC(C)(C)C(C)(C)O2)c1 2256618517 QTAMBWHRRGVEKJ-BBRMVZONSA-N 454.398 2.280 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)sc1CNC(=O)[C@H](O)[C@H](C)NC(=O)OC(C)(C)C 2256625592 YSRXORRJACUXCH-XJKSGUPXSA-N 454.398 2.246 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@@H](CNC(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)C1 2266997552 NDDTXPRGAMWHMD-AWEZNQCLSA-N 467.397 2.056 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)CO1 2267156138 FGBKEHIOGLJMSX-ZIAGYGMSSA-N 467.397 2.102 30 10 JEEE CO[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)N(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)C1 2267558087 XGBULKIKAOKWDI-HUUCEWRRSA-N 450.341 2.333 30 10 JEEE CC(C)(C)OC(=O)N1CCCO[C@@H](CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)C1 2267561575 RFGVHBLGGAQGEB-HNNXBMFYSA-N 450.341 2.335 30 10 JEEE CC1(NC(=O)OC(C)(C)C)CN(S(=O)(=O)Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2267709387 AUGRHYHSAPSRNP-UHFFFAOYSA-N 466.409 2.415 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2268647644 PWAVBTQYMDPOLP-XUXIUFHCSA-N 464.397 2.137 30 10 JEEE Cc1nn(C)c(C(=O)NC[C@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2281976966 IXXDANMXHYOOGT-JKSUJKDBSA-N 462.400 2.451 30 10 JEEE Cc1nn(C)c(C(=O)N[C@@H]2C[C@@H]3[C@@H]2CCN3C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2281988519 NUSQGLSWAMSQSB-BZUAXINKSA-N 460.384 2.155 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)OC(C)(C)C 2282023759 QZWIYQRIYUMFGW-UXLLHSPISA-N 460.384 2.095 30 10 JEEE Cn1nc(C(=O)N[C@H]2CCOC[C@H]2OCc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2282034557 JSAGUHMXWOZBAK-DLBZAZTESA-N 475.782 2.477 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@]23CCCN(C(=O)OC(C)(C)C)C[C@@H]2C3)n1 2282037149 RMRRLUVBZYGZHZ-NPMXOYFQSA-N 460.384 2.239 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)c1ccco1 2282192346 WDMIODYANGJSCT-HNNXBMFYSA-N 458.324 2.365 30 10 JEEE Cc1cc(S(=O)(=O)N2CC[C@](C)(NC(=O)C(F)(F)F)C2)ccc1B1OC(C)(C)C(C)(C)O1 2282315329 MKIMOXDAJFRWTF-IBGZPJMESA-N 476.326 2.126 30 10 JEEE Cn1ncc(C(=O)N[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C23CCC3)c1B1OC(C)(C)C(C)(C)O1 2282568806 IMLQHLMMOFERSH-JKSUJKDBSA-N 460.384 2.285 30 10 JEEE Cn1ncc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C3(CC3)C2)c1B1OC(C)(C)C(C)(C)O1 2282570585 IMWPRIXXRSFMSK-OAHLLOKOSA-N 460.384 2.381 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@]12C[C@H]1CN(C(=O)OC(C)(C)C)C2 2282586849 DYBWQSIQLIXOPO-WNSKOXEYSA-N 460.384 2.015 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2CCO[C@@]2(CNC(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)C1 2282622606 IPGWJSVZPZETKM-CMJOXMDJSA-N 462.352 2.335 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@]2(CNS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2282834372 SUUGSRPHLNIAFE-SZNDQCEHSA-N 499.464 2.119 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)CC1 2286113803 JYKJOWWRYGSJJF-OAHLLOKOSA-N 455.286 2.362 30 10 JEEE CN(CC1(O)CN(C(=O)OC(C)(C)C)C1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1F 2287300267 IRFMZUSKXYXFJL-UHFFFAOYSA-N 464.343 2.179 30 10 JEEE Cc1nc2ccccn2c1C(O)=C1C(=O)C(=O)N(CCN2CCOCC2)[C@H]1c1cccs1 2296932594 CGWYFSHDEGGABQ-FQEVSTJZSA-N 452.536 2.458 30 10 JEEE COc1ccc(N2C[C@@H](c3nnc(SCCO)n3N=Cc3ccc(O)cc3)CC2=O)cc1 2325882475 CRISGWWQEGQIHA-INIZCTEOSA-N 453.524 2.479 30 10 JEEE COC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1N=Cc1cc(OC)c(OC)cc1OC 2329035033 AXLFXGVWSWGUPG-HNNXBMFYSA-N 491.570 2.176 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 2362344741 WDPQEPNSEZVFBW-VQTJNVASSA-N 450.392 2.313 30 10 JEEE COc1ccc(/C=C2\Oc3c(CN4CCN(CCO)CC4)c(O)cc(C)c3C2=O)c(OC)c1 41514044 PCJIQPDFGVRCNC-XKZIYDEJSA-N 454.523 2.444 30 10 JEEE C=CCOc1ccccc1[C@@H]1c2c(nc(N3CCC[C@@H](C(=O)OCC)C3)[nH]c2=O)NC(=O)[C@@H]1C#N 72445787 KFVCLNXQJOIIRG-SUMDDJOVSA-N 477.521 2.338 30 10 JEEE CCc1cccc(CC)c1N1C(=O)[C@@H]2[C@H](c3ccc(C#N)cc3)N[C@](CC(=O)O)(C(=O)O)[C@@H]2C1=O 252079439 FFCYWFCAGGMKTE-JYEBCORGSA-N 475.501 2.431 30 10 JEEE Cc1ccc(NC(=O)CSc2nnc(N/N=C/c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2N)cc1 253568089 KVKJFQMHCMVHMN-AWQFTUOYSA-N 471.459 2.294 30 10 JEEE COCCC/N=C(/NN)Nc1cc(I)cc(I)c1 690323496 VBYNFDNMXVXDCO-UHFFFAOYSA-N 474.084 2.164 30 10 JEEE N#CC(C(=O)N1CCCC1)=c1sc(=Cc2cnn(Cc3ccccc3)c2)c(=O)n1Cc1ccccc1 731233392 YWDMWYCWSXKBRV-UHFFFAOYSA-N 495.608 2.328 30 10 JEEE CN(C)CC#CCNC(=O)[C@@H](CCC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 757474422 JEKOAIACFFIEMV-HSZRJFAPSA-N 463.534 2.440 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)NCc3ccccc3CN3CCCC3=O)cc2C1=O 918812070 COCJSCYEQFINHQ-UHFFFAOYSA-N 475.501 2.064 30 10 JEEE COC(=O)C(C)(C)c1ccc(S(=O)(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 1211491240 GYEJFXGFIJODPS-FQEVSTJZSA-N 455.536 2.483 30 10 JEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1ccc(C(=O)NCC)cc1 1286363765 ZJCVLMHBTLTLSZ-UHFFFAOYSA-N 479.610 2.414 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@](C)(O)c1ccco1)[C@@H]1CCS(=O)(=O)C1 1286389005 XIAVWKRKYWVIMN-JPYJTQIMSA-N 470.551 2.081 30 10 JEEE C#CCN(CC)c1nnc(Cn2nc(C)cc2C)n1CC[C@H](N1CCOCC1)C(F)(F)F 1286450178 NJHCHUUQVVQIGL-SFHVURJKSA-N 453.513 2.252 30 10 JEEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1C[C@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1286453327 ZFJUEXHAPQQJTM-FCMAGTKHSA-N 489.617 2.486 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC2(O)CC2)n1 1286472261 XGGUZYYXRZNWSR-WOJBJXKFSA-N 456.591 2.204 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2csc([C@@H](C)OC)n2)CC1 1286473974 ZGMARVMFNRWKTR-JPYJTQIMSA-N 474.631 2.286 30 10 JEEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CCOCC)[C@H](CC)C1 1286530569 PKSZRFIFDCXBEP-QGZVFWFLSA-N 469.428 2.360 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(S(C)(=O)=O)CC1 1286795789 DHAITIFVVSUMPR-UHFFFAOYSA-N 473.599 2.141 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1286816225 GOFSDZJTQNCSRY-MRXNPFEDSA-N 471.505 2.051 30 10 JEEE CC(C)OC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(CS(C)(=O)=O)CC2)CCO1 1288352401 DDGYGJXKCZDFAP-FQEVSTJZSA-N 473.599 2.272 30 10 JEEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCN([C@@H](C)C(=O)NC4CCCC4)CC3)n[nH]2)c1C 1293053518 SYTUPWJCHAKAHE-SFHVURJKSA-N 453.591 2.281 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1oc(CC)nc1C)[C@H]1CCS(=O)(=O)C1 1300492611 NWOLDCRIWBVOMU-KRWDZBQOSA-N 454.556 2.182 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N(CC)C(=O)OC(C)(C)C 1300579422 VOWOYENTQPBENN-RTBURBONSA-N 477.631 2.289 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(N(C)C)nc1 1300644060 XLQNAMIHSPEQLH-QGZVFWFLSA-N 485.589 2.177 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc2[nH]c(C)c(C)c2c1 1300671696 MOZUCPPWEMVWGQ-IBGZPJMESA-N 455.584 2.413 30 10 JEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1300757013 YZURBMNINKPNTB-SFHVURJKSA-N 470.002 2.447 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](CN2CCCCCC2)C1 1301567356 HPHLEOPSDYUHNJ-HXUWFJFHSA-N 480.679 2.110 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC=C(COC)CC1 1301588500 FZTOAXFVNJHBKE-FQEVSTJZSA-N 460.556 2.174 30 10 JEEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCC(CC#N)CC3)n2CCc2ccc(F)c(F)c2)C1 1302478500 HZXJZZCKRVMXCV-HXUWFJFHSA-N 494.568 2.262 30 10 JEEE CC(C)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)N2CCOCC2)CC1 1303309964 BHSPHKQMCJNEMZ-OAQYLSRUSA-N 467.618 2.370 30 10 JEEE C#CCN1CCC[C@H](NC(=O)NCC(C)(C)S(=O)(=O)c2ccc(Br)cc2)C1 1311985391 CYFASHPJNXCCDU-INIZCTEOSA-N 456.406 2.398 30 10 JEEE CNC(=O)C(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(N2CCCCC2=O)CC1 1314943968 FLGYCBYIMKVLGX-UHFFFAOYSA-N 493.612 2.482 30 10 JEEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCCCCC2)CCO1 1315949828 BFOYRGIKQWJCOI-QFIPXVFZSA-N 454.575 2.456 30 10 JEEE COCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(Cc2cc(C)no2)CC1 1315962988 IDWFZTNRHRLYMH-DEOSSOPVSA-N 465.558 2.223 30 10 JEEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1Cc1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 1358956842 LKPMEGLOLMFPRF-SIKLNZKXSA-N 479.002 2.259 30 10 JEEE C#CCN(c1nnc(-c2cnn(-c3ccccc3)c2)n1CC(O)(CC)CC)[C@H]1CCS(=O)(=O)C1 1358960804 MIBNGNCXHJJAHA-NRFANRHFSA-N 482.610 2.309 30 10 JEEE C#CCN(c1nnc(COCC)n1CCc1nc(C(C)(C)C)cs1)[C@@H]1CCS(=O)(=O)C1 1358967456 KTQUSHXZCQGSFE-MRXNPFEDSA-N 465.645 2.438 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCO[C@H]1c1ccccc1 1358978564 PIUKYDHEDFLWIK-VSKRKVRLSA-N 452.580 2.421 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(OC(F)F)c2)n1CCC(=O)N1CCOCC1 1358987679 OMBNYVKYNJMIAR-UHFFFAOYSA-N 457.481 2.258 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCC(=O)N3)n2Cc2cc(F)ccc2F)n1 1359028534 VSLZRWUWHFQALA-HXUWFJFHSA-N 469.496 2.038 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCCN2CCC(C)CC2)CC1 1359031323 XZVNCYOCFMXBQO-RUZDIDTESA-N 458.651 2.196 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCSCC1 1359277191 FCJUSOUKWLTJLF-SFHVURJKSA-N 465.645 2.057 30 10 JEEE C=CCn1c(COc2ccccc2OCC)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1359289770 JXJWOHZCKVATKH-CTNGQTDRSA-N 468.602 2.431 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1359327555 FDUHNUPYWKKIQL-HUUCEWRRSA-N 484.420 2.499 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](CCc2ccccc2)C1 1359331097 NFQUBHBHFITCHV-NRFANRHFSA-N 470.599 2.117 30 10 JEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3nc(C(F)F)cc3C(F)F)CC2)cc1 1464022136 ANDJCXJUCSWHMP-UHFFFAOYSA-N 459.425 2.163 30 10 JEEE Cc1cscc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCC#N)CC1CC1 1492653293 CYBBKCJXEAROGE-SFHVURJKSA-N 464.617 2.159 30 10 JEEE CCN(CC)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCOC[C@@H]2C)CC1 1501780196 GJTLYMMCPRFSGK-NZQKXSOJSA-N 479.629 2.480 30 10 JEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCN1C[C@@H](C)O[C@H](C)C1 1507605130 QAWDSMFGAUTKPS-QZTJIDSGSA-N 473.647 2.115 30 10 JEEE C#CCN(c1nnc(COCC)n1CCCc1nc2c(s1)CCCC2)[C@H]1CCS(=O)(=O)C1 1507639049 VFWAIOWPNVIDLI-KRWDZBQOSA-N 477.656 2.409 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)Cc2cccs2)CC1 1507732688 JINVZUFZVBSDGV-GOSISDBHSA-N 468.627 2.420 30 10 JEEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 1507751714 MBLVQAIFMYIPKD-UHFFFAOYSA-N 451.531 2.089 30 10 JEEE C#CCSCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@@H](C)CC(N)=O 1507756204 YMAVNOHXUMKFNC-IRXDYDNUSA-N 464.636 2.459 30 10 JEEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1507830757 WYUCNULXNCDEAI-VQTJNVASSA-N 476.622 2.321 30 10 JEEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N(C)Cc1ccccc1Br 1508093893 DNKWKNFKVFPQDE-UHFFFAOYSA-N 461.364 2.102 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CC[C@](C)(C(=O)NC)C2)cc1 1508096585 HQTDEMMBGPTTSY-DEOSSOPVSA-N 452.559 2.090 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(NC(=O)N(C)C)cc2)C1 1508132852 ZWBNVLMRNVLYJI-HXUWFJFHSA-N 467.574 2.324 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC([C@@H](O)c2ccc(F)cc2)CC1 1508142835 VMDVRXLCPFKMDV-CTNGQTDRSA-N 478.590 2.472 30 10 JEEE CCNC(=O)C(C)(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1515982265 AFPBZIVLMDLLAU-MJGOQNOKSA-N 481.605 2.059 30 10 JEEE C#CCCCCn1c(-c2ccccc2OC)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1539059482 GGHVXMBOUBTMHY-UHFFFAOYSA-N 464.570 2.028 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1CCOc1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 1539216434 RTFZHZYHPZKCNT-KRWDZBQOSA-N 472.958 2.094 30 10 JEEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1ccc(C(C)(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 1539231760 XYMMOHPFHOVNGD-LJQANCHMSA-N 491.564 2.187 30 10 JEEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCC(=O)N[C@@H](C)CC 1539346779 JKRGRNHPBMSNSF-INIZCTEOSA-N 459.620 2.311 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2CCCc2cnn(C)c2)CC1 1539473761 AAYMYCHONVDKAM-UHFFFAOYSA-N 461.570 2.286 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCC(=O)NC2CCCCC2)CC1 1539476063 ROOSUDJNLISWDK-UHFFFAOYSA-N 451.575 2.078 30 10 JEEE C=C(Br)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](COCCOC)C1 1539574495 LUWQGOCUCSZGAO-HNNXBMFYSA-N 465.352 2.323 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)CC(C)(C)C1 1539631707 MXEDSOKYHUJYNT-ZRNYENFQSA-N 481.663 2.465 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccccc2OCC)nnc1N1CCO[C@H](C(=O)NC)C1 1539642622 RLJZLIISRSIEQC-HARLFGEKSA-N 485.585 2.188 30 10 JEEE C=C(C)Cn1c(C2CCC2)nnc1N1C[C@@H]2[C@@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1539701506 JNXAIUAUIOENSN-IKGGRYGDSA-N 451.593 2.248 30 10 JEEE C=CC1CCN(c2nnc(CCOc3ccccc3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1539894710 RCYLGEXVXJFLOR-UHFFFAOYSA-N 460.600 2.242 30 10 JEEE C=CC[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1)c1ccccc1 1539938468 ABYIXWMANYUAJS-CTNGQTDRSA-N 486.642 2.449 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CCCC1 1540179865 BQTDOHZWYOYOEW-NRFANRHFSA-N 489.642 2.151 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1540864455 AMMSYWAQOZLAJG-HSZRJFAPSA-N 487.511 2.334 30 10 JEEE C[C@@]1(C#N)CCCN(c2nnc(C(=O)N3CCCC3)n2CCS(=O)(=O)c2ccccc2)C1 1541987668 CTXDTSAFRWKFKL-QFIPXVFZSA-N 456.572 2.118 30 10 JEEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)CN2CCCC2)C1 1547779406 CCAZCHXGWDPCKS-RXVVDRJESA-N 471.631 2.067 30 10 JEEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CCn1cc([C@@H]2CCOC2)cn1 1587667137 CTDSWMBOWBBFQM-DLBZAZTESA-N 453.572 2.128 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@H]1CCS(=O)(=O)C1 1588205657 QKPMTNZSLRYVLK-GOSISDBHSA-N 456.568 2.250 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCN2C[C@H](C)O[C@@H](C)C2)CC1 1588769107 OVMZSPSIPZEPJP-PMACEKPBSA-N 467.574 2.108 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H](OC)c2ccccc2)CC1 1588892196 ZDOJBXYGQNOOBE-GJZUVCINSA-N 481.597 2.284 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC(=O)NCCC)CC1 1588899431 PIIIJVSLXRANQW-UHFFFAOYSA-N 474.512 2.039 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1C[C@@H](C)C[C@@H](C)C1 1589664277 WZTXFSANKYNHQQ-HBMCJLEFSA-N 482.695 2.381 30 10 JEEE C=CC1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC1 1594202468 QWGAVGNLIQQEJS-PXDATVDWSA-N 474.650 2.275 30 10 JEEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCCN1CCCO 1594963489 TXSCNAOXTOLNPP-OALUTQOASA-N 464.611 2.056 30 10 JEEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCCN1CCCO 1594963492 TXSCNAOXTOLNPP-RBUKOAKNSA-N 464.611 2.056 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H](C)C(C)(C)C1 1595497091 PNOCWAISQYGKDP-QGZVFWFLSA-N 474.631 2.370 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCC[C@H](CC(N)=O)C1 1595506522 CDLIUMZKNUXCGW-CYBMUJFWSA-N 479.354 2.241 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(F)cc2Br)nnc1N(C)CCCS(C)(=O)=O 1595507213 ZTZNYYAHUCIIAC-UHFFFAOYSA-N 488.383 2.020 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 1595517046 NNAFQYOSVLEZGL-IRLDBZIGSA-N 479.629 2.064 30 10 JEEE C=CCOc1ccc(Cn2c(CC3CC3)nnc2N2CCN(C(=O)C(=O)NC(C)C)CC2)cc1 1595640548 ZKXBRCNIDIPBBM-UHFFFAOYSA-N 466.586 2.017 30 10 JEEE CN(C)C(=O)CC1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(CS(C)(=O)=O)CC2)CC1 1617574977 BLRPVUMQPVWUMN-UHFFFAOYSA-N 484.626 2.336 30 10 JEEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N2C[C@@H](CO)[C@H](CO)C2)c1 1646581506 WBTVPLNBFWXBOD-ROUUACIJSA-N 464.971 2.394 30 10 JEEE CCC[C@H](C)C(=O)NCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@](F)(C#N)C1 1649622173 CWWUBDYXCIWBPV-KSFYIVLOSA-N 476.578 2.343 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1CCN(C(C)=O)CC1 1689852826 LDNBUHXMDQQXKM-YLJYHZDGSA-N 474.606 2.303 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCCc1cnn(C)c1 1689861072 NPLIJPIPOBNDIO-JOCHJYFZSA-N 460.630 2.467 30 10 JEEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1(C(=O)N(C)C)CCCC1 1689961210 OUEIHJNZFFRBAI-UHFFFAOYSA-N 461.570 2.393 30 10 JEEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1nncn1-c1ccccc1)[C@H]1CCS(=O)(=O)C1 1689980552 UKQFMGYDKFNSCU-HKUYNNGSSA-N 453.572 2.047 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1CC(C)(C)SC)[C@H]1CCS(=O)(=O)C1 1689993905 NGKVGEUPKDYLGD-INIZCTEOSA-N 453.659 2.402 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CCc2ccccn2)CC1 1690114941 MIMXHZLTSJVQMV-UHFFFAOYSA-N 462.554 2.364 30 10 JEEE C#CCSCCn1c(N2CC[C@H](C(=O)NCC(F)(F)F)C2)nnc1[C@]1(OC(C)C)CCOC1 1690185733 FSZZZOVBURDNHA-JXFKEZNVSA-N 489.564 2.190 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1690196769 XHZHKAUDGGNABK-WOJBJXKFSA-N 479.400 2.249 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2cccc(O)c2)CC1 1690237032 UTOSTFBXVSSRIT-WIYYLYMNSA-N 454.575 2.430 30 10 JEEE C=C(C)COCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(S(C)(=O)=O)CC1 1690310990 AREFZZZFZIVPNH-UHFFFAOYSA-N 489.646 2.058 30 10 JEEE C=C(Cl)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCN(CC(=O)NCCOC)CC1 1690337072 BQDFRSKLCISUNB-UHFFFAOYSA-N 469.977 2.130 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN(C(=O)Cc2cccc(OC)c2)CC1 1690673693 ALKGVHHMZSFXIP-UHFFFAOYSA-N 494.621 2.133 30 10 JEEE C=CCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@H](COC(C)C)C2)cc1 1690680518 UKLXVEMUSJQJCT-LEWJYISDSA-N 455.559 2.473 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1690681140 HGKNGKKQIBHJFS-LJQANCHMSA-N 473.599 2.141 30 10 JEEE CC(C)N(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1692467006 CHISPSLWAUYHIR-UHFFFAOYSA-N 478.645 2.291 30 10 JEEE CCCOc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CCCS(=O)(=O)C2)cc1OC 1695498498 BYGOOPYMQUGNIP-MJGOQNOKSA-N 489.598 2.296 30 10 JEEE CCN1CCN(CCCn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@@H](COC(C)C)C2)CC1 1695897951 CAKSMKSCSYXQSP-XMMPIXPASA-N 481.645 2.475 30 10 JEEE CNS(=O)(=O)CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@@](F)(C#N)C1 1697020253 DJZZKDSYHHFBGK-OXJNMPFZSA-N 450.540 2.026 30 10 JEEE CS(=O)(=O)N1CCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1698310249 FONMCTWFGKMPDE-IAGOWNOFSA-N 484.504 2.008 30 10 JEEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1sccc1C)[C@H]1CCS(=O)(=O)C1 1705559945 CEDRTTLTJDAEQT-PGRDOPGGSA-N 478.640 2.364 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccc(OC(C)(C)C)nc1)[C@H]1CCS(=O)(=O)C1 1705564644 DLQQUFSLJSLJNU-MOPGFXCFSA-N 473.599 2.029 30 10 JEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CC(F)(F)C1(OC)CCOCC1 1705585281 PPNWSHMPDDCDHK-UHFFFAOYSA-N 477.537 2.173 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCN1CCOC(C)(C)C1 1705590194 DVMUQXRALAROFZ-UHFFFAOYSA-N 497.669 2.120 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(C)cc(C)cc1C 1705599278 XCAUSGNLNBURTL-JOCHJYFZSA-N 469.611 2.047 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CC2([S@@](C)=O)CCC2)CC1 1705634028 GVDZNUIGIKOKER-UUWRZZSWSA-N 487.626 2.027 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCCc2ccc(OC)cc2)CC1 1705644161 HTPSQBCCZOSJKD-UHFFFAOYSA-N 466.586 2.024 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(S(C)(=O)=O)cc2)CC1 1705648355 RUBLJZMGHXPPEZ-UHFFFAOYSA-N 471.627 2.284 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(Oc2ncccc2F)CC1 1705661404 AQBFYRJSKHNBCW-INIZCTEOSA-N 479.603 2.129 30 10 JEEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1705662720 IQVFBOILJUJCPC-UHFFFAOYSA-N 477.656 2.104 30 10 JEEE C=C(C)COCCn1c(-c2cccnc2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1705734543 SLLYPCSXGZHOTI-NFBKMPQASA-N 467.618 2.312 30 10 JEEE C=CC[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1)c1ccccc1 1705795487 KYIMGPAEQTVBBJ-VQTJNVASSA-N 479.585 2.249 30 10 JEEE C=CCCOCCn1c(-c2ccccc2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1705827706 OHKNZWQUGDTVGB-OAQYLSRUSA-N 475.615 2.169 30 10 JEEE C=CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CC1CCN(CCN(C)C)CC1 1705842303 MYOKSVGLBFSRCH-UHFFFAOYSA-N 450.591 2.490 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1705905078 IXPNMCGLSRZBLF-UHFFFAOYSA-N 465.602 2.206 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H]2CCCOC2)nnc1N1CCC(OCC(N)=O)CC1 1705913263 JFFWAKPYGNTFIL-LJQANCHMSA-N 455.559 2.256 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](c2ccccc2C)C1 1705935854 FHBRQXRBPJATNX-RBUKOAKNSA-N 478.640 2.083 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](c2cccc(F)c2)C1 1705938475 ZQCRJQOGNMJGQT-OAQYLSRUSA-N 488.589 2.458 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc(COc2ccc(Br)cc2)n1CC(=O)N1CCOCC1 1706077209 HCCAXVDWEKXGQA-HNNXBMFYSA-N 477.363 2.074 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1722363475 FYUXBTXXFJGLOU-QRFRQXIXSA-N 495.001 2.114 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc3ccccc3n2)n1C[C@H]1CCCN1S(C)(=O)=O 1722424076 ZZGAZJRXKRZUEO-LJQANCHMSA-N 468.583 2.003 30 10 JEEE C#CCSCCn1c(-c2ccc(Br)s2)nnc1N1CCN(CC(=O)NCC)CC1 1722456008 XUOLROFDJNTNSH-UHFFFAOYSA-N 497.488 2.394 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@](C)(O)CCOC 1722471897 VGSIPTIESISKJY-JWQCQUIFSA-N 464.570 2.455 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1cccc(OC)c1)N(C)C 1722473408 CRKFDWCCEQBHAS-ZILOHOTNSA-N 471.627 2.484 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(C)cc2)nnc1N1CCN(CC(=O)NCC)CC1 1722503377 KUWASFNCHAQJQD-OFVILXPXSA-N 482.629 2.405 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1722725648 QFSBLJUZJXJMGX-SFHVURJKSA-N 475.615 2.248 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1Cc1cccc(CN2CCOCC2)c1)[C@@H]1CCS(=O)(=O)C1 1740616644 DTZBZLPBVYDUPC-NFBKMPQASA-N 485.654 2.299 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCO[C@H]1C(=C)C)[C@@H]1CCS(=O)(=O)C1 1740617990 AIDCWDBDIPKSQA-BDTNDASRSA-N 465.579 2.425 30 10 JEEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccccc1CN1CCC(O)CC1 1740631520 BOCVBPPZBHEFEB-MHZLTWQESA-N 477.609 2.008 30 10 JEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1Cc1cccc(C2OCCO2)c1 1740642119 RQBBTJOICLVXGN-UHFFFAOYSA-N 461.547 2.436 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2cccc(C(=O)NCCC)c2)CC1 1740692191 FSBWZNKWSJZUTF-MHZLTWQESA-N 494.640 2.262 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCc2cccc(OCC)c2)CC1 1740704157 IUUDVYHEOJFLNT-UHFFFAOYSA-N 459.554 2.342 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCN2CCCC(C)(C)C2)CC1 1740709141 BALSRUAUKNFVKI-VXKWHMMOSA-N 486.661 2.090 30 10 JEEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)c1ccccc1C 1740717247 NCRMHVGFZXYSAY-ICSRJNTNSA-N 477.656 2.483 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCN(Cc2cc(C)no2)CC1 1740963973 CSXMOJPJYZUYDC-UHFFFAOYSA-N 465.558 2.086 30 10 JEEE C=CCNC(=O)Cn1c(N2CCc3cc(OC)c(OC)cc3CC2)nnc1[C@@]1(OC(C)C)CCOC1 1740966049 VORSEPLCFJNFSJ-AREMUKBSSA-N 499.612 2.243 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccc(C(F)(F)F)n2)C1 1740982483 UZSPQGSWEBLJMZ-GOEBONIOSA-N 471.505 2.424 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(F)cc3)n2CCC(=O)N2CCOCC2)C1 1740985644 RXRITNDADWIDSK-FQEVSTJZSA-N 459.522 2.026 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C(N)=O)C1 1741213674 FFWAOUDUQBOUDM-RTBURBONSA-N 495.584 2.440 30 10 JEEE Cc1nn(C)c(N2CCN(c3nnc(CC(C)C)n3Cc3ccc(S(C)(=O)=O)cc3)CC2)c1C#N 1742668584 DBFYZJRPFVFRMA-UHFFFAOYSA-N 496.641 2.169 30 10 JEEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@H](NC(=O)CCC)C1 1748744982 ITFBEYSDGZVSRO-SFHVURJKSA-N 461.570 2.491 30 10 JEEE C#CCN(c1nnc(-c2ccccc2F)n1CCCOC[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1748810428 WEMONFBIRMSIKV-MOPGFXCFSA-N 476.574 2.154 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1Cc1ccc(OC)cc1F)[C@H]1CCS(=O)(=O)C1 1748811224 DHUMXOXLGMNOKS-KRWDZBQOSA-N 457.531 2.106 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1NC(=O)CC1(C)C 1748970953 YFCMNDMYXFMOKT-KSZLIROESA-N 474.606 2.050 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CCCS(C)(=O)=O)CC1 1748983643 WZEYLDVOHDYRHI-UHFFFAOYSA-N 480.432 2.206 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCN(C)C(C)C)CC1 1749001569 WTWLOVUSHLDBGF-UHFFFAOYSA-N 479.629 2.453 30 10 JEEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1749040256 RZFIGXPOIQRYET-UHFFFAOYSA-N 462.579 2.298 30 10 JEEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](O)(c2ccccc2F)C1 1749103791 DDDDBXAQDMNEJZ-IFXJQAMLSA-N 485.379 2.326 30 10 JEEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N(C)C1CCC(NC(C)=O)CC1 1749109298 GWBLHVCJOSLAND-UHFFFAOYSA-N 453.385 2.193 30 10 JEEE C=C(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 1749169316 VEWVXZDMFFOERC-UHFFFAOYSA-N 450.503 2.439 30 10 JEEE C=C(C)COCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1749228495 ARYHMNXDKDEWNR-NRFANRHFSA-N 482.633 2.397 30 10 JEEE C=C(Cl)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1749271438 VJHPCYDFSIHTBF-IAGOWNOFSA-N 496.012 2.379 30 10 JEEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2ccccc2)CC1 1749354636 VQFUCHRHJJIHGW-SFHVURJKSA-N 474.631 2.453 30 10 JEEE C=CCN(CCc1ccco1)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCCS(=O)(=O)C1 1749586492 XHVBQFGQWNGJOW-SFHVURJKSA-N 461.588 2.167 30 10 JEEE C=CCn1c(CC2CCCC2)nnc1N1C[C@@H]2[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1749638147 ZGEMBLQHBOJDAH-FGTMMUONSA-N 465.620 2.323 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 1749660910 VZCPSMLJVKFCKD-HXUWFJFHSA-N 472.615 2.078 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCSc2ccccc2)C1 1749713187 PPQCIYOKKCEYGW-UYAOXDASSA-N 493.655 2.185 30 10 JEEE C=CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(CC(N)=O)CC1 1749745985 OABXOQRUQLRTBC-UHFFFAOYSA-N 463.629 2.360 30 10 JEEE C[C@H]1OCC[C@]12CN(c1nnc(-c3ccc(C#N)cc3)n1CCS(=O)(=O)C(C)(C)C)CCO2 1752445568 GYIALFLNTMVCCN-HXOBKFHXSA-N 473.599 2.414 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccccc2Cl)CC1 1760155176 RSIDUKZWFNXSMX-FQEVSTJZSA-N 493.033 2.004 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H](OC)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1760188217 NOQXTIRCZOEDJJ-NJDAHSKKSA-N 458.584 2.187 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2ccccc2F)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1760204362 NDFOHOPYYFPFBL-UNMCSNQZSA-N 469.586 2.285 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(C)cc2OCCOCC)CC1 1760259114 GTJHDXTWAWEMGR-JOCHJYFZSA-N 453.587 2.309 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(OC)c(OC)c2)CC1 1760270464 XXEOVZZOAMABCF-HXUWFJFHSA-N 467.570 2.203 30 10 JEEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1760286020 YXAQOVJAOKUZLJ-PMACEKPBSA-N 450.568 2.343 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(C)nc(N2CCCC2)c1 1760289254 NJAOWVSDOWKQRM-FDDCHVKYSA-N 471.631 2.232 30 10 JEEE C=CC[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)NCC)CC1)c1ccccc1 1760417488 DHIWDEOBNJQZKZ-OAQYLSRUSA-N 462.602 2.297 30 10 JEEE C=CC[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCNC(=O)[C@@H]1CC)c1ccccc1 1760418758 XOTWWBQYMBQEAT-AQNXPRMDSA-N 457.600 2.255 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2Cl)nnc1N(C)CCS(C)(=O)=O 1760518711 DKHCYOWKZQIATJ-UHFFFAOYSA-N 490.811 2.144 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC(NC(=O)NC2CCCCC2)CC1 1760525374 CPMDSNMRDMVLHO-UHFFFAOYSA-N 480.617 2.167 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H](C)N2CCOCC2)C1 1760537881 SJBMCEZZPLGVNF-QUCCMNQESA-N 457.575 2.464 30 10 JEEE C=CCSCCn1c(COc2ccccc2F)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1760569197 GUSNRZLCYVYSDD-INIZCTEOSA-N 469.608 2.386 30 10 JEEE CCCNC(=O)CCn1c(-c2ccccc2OC)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1764544444 DHJFGQQTYQOHPG-GOSISDBHSA-N 489.584 2.247 30 10 JEEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1Cc1ccc(COC)cc1 1766408440 BLLZLZPMDQXTMP-SFHVURJKSA-N 462.558 2.386 30 10 JEEE COC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCO[C@H](CNC(C)=O)C2)CCCCC1 1768237516 HWKKRTVFZGSPIL-JOCHJYFZSA-N 482.585 2.419 30 10 JEEE CCN(CC)C(=O)[C@H](C#N)C(c1cc(OC)c(O)c([N+](=O)[O-])c1)[C@@H](C#N)C(=O)N(CC)CC 1848438989 GBNYBGKWCCWSJE-HZPDHXFCSA-N 459.503 2.409 30 10 JEEE CCN1C(=O)COc2ccc(-c3nn(-c4ccc(OC)cc4)cc3/C=N\NC(N)=S)cc21 1857807153 XVTQGITXRQWNTM-MYKKPKGFSA-N 450.524 2.460 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1F 1862641922 DSGRRDQCNGVYQG-IBGZPJMESA-N 457.414 2.457 30 10 JEEE Cc1nc(SCc2cc(=O)c(OCC(N)=O)cn2CCc2cnc[nH]2)c(C#N)c(C)c1C 1870184918 GIOLWBAEPJQFNW-UHFFFAOYSA-N 452.540 2.162 30 10 JEEE CC(=O)NCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1ccc2c(c1)C(=O)N(C)C2=O 1871252572 INOYRPHKRVBTMJ-UHFFFAOYSA-N 499.527 2.273 30 10 JEEE COC(=O)CSc1nnc([C@@H]2CC(=O)N(Cc3ccccc3)C2)n1/N=C/c1cccn1C 1874210708 ARECMZDVJBOJOT-UXHMZNKVSA-N 452.540 2.280 30 10 JEEE COc1cc(/C=N/n2c(SCCCO)nnc2[C@H]2CC(=O)N(C(C)C)C2)cc(OC)c1O 1874340598 PHRKCNMMVAQRKT-URMYYVDKSA-N 463.560 2.082 30 10 JEEE N#Cc1nccnc1OCC1CCN(C(=O)[C@@H]2SCC(=O)N(C3CC3)[C@@H]2c2cccnc2)CC1 1891455335 PLTZHYGKGOADBD-FGZHOGPDSA-N 478.578 2.208 30 10 JEEE Cc1ccccc1Oc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NCC#CCN2CCOCC2)cc1 1891569644 MLPUVCWBXACWFS-XMMPIXPASA-N 497.617 2.392 30 10 JEEE Cc1csc([C@@H](C#N)C(=O)COC(=O)C=Cc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2Cl)n1 2042447105 JDWHLWQEWGIRMS-HIFRSBDPSA-N 482.971 2.402 30 10 JEEE CC(C)(C#CC(=O)N1C[C@@H](NC(=O)OC(C)(C)C)CC[C@@H]1C(=O)O)NC(=O)OC(C)(C)C 2082720666 LPGHPDVXTVJLPY-LSDHHAIUSA-N 453.536 2.262 30 10 JEEE CC(C)(C)OC(=O)N1CC(O)(C(F)(F)C(=O)N2CC=C(B3OC(C)(C)C(C)(C)O3)CC2)C1 2124538968 PGOCNDFZILSBJW-UHFFFAOYSA-N 458.311 2.394 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2247950701 DIEIBACVCSWJIO-OKILXGFUSA-N 458.411 2.381 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)s2)O1 2256627768 CESNRMMMYUCGLB-STQMWFEESA-N 453.370 2.453 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)[C@@H](C(=O)O)C1 2267129015 WFPUCFHUJNFIQK-CQSZACIVSA-N 466.365 2.193 30 10 JEEE CC(C)(C)OC(=O)N[C@@]12C[C@H]1CN(S(=O)(=O)c1ccc(B3OC(C)(C)C(C)(C)O3)cc1)C2 2267713343 AIZPLVPFGRLHNP-OYHNWAKOSA-N 464.393 2.274 30 10 JEEE CC1(C)OB(c2ccsc2S(=O)(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)OC1(C)C 2267722761 YPZZDQUZAYHHBI-SFHVURJKSA-N 473.429 2.446 30 10 JEEE C[C@@H](CCNC(=O)OC(C)(C)C)CCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2268690482 NFHGGHICAXETQY-OAHLLOKOSA-N 450.389 2.390 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)c(F)c2)C1 2281757012 BVAQPPQAGNQWHM-CRAIPNDOSA-N 464.343 2.083 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](O)CN(C(=O)c2cccc(F)c2B2OC(C)(C)C(C)(C)O2)C1 2281763124 LUNHPUQIKQPALA-HUUCEWRRSA-N 464.343 2.225 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C2(CC2)C1 2282031192 OYVDTGRQWVQLPR-INIZCTEOSA-N 458.368 2.438 30 10 JEEE Cn1cc(C(=O)NC[C@]2(C)CCCN(C(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2282039234 RUKBYXMEAHJLIT-QHCPKHFHSA-N 462.400 2.486 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)Nc1nc(CNC(=O)OC(C)(C)C)n[nH]1 2282100888 ZXBRMGAJMYPXTJ-UHFFFAOYSA-N 460.344 2.202 30 10 JEEE CN(C[C@@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cn2C)CCO1)C(=O)OC(C)(C)C 2282191674 YAAFXGGWUFWANY-QGZVFWFLSA-N 463.384 2.032 30 10 JEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCCCCCCNC(=O)OC(C)(C)C 2282351874 HCJHPGRGAIKAMR-UHFFFAOYSA-N 486.444 2.083 30 10 JEEE C[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282498106 YZKBGPZVUFQOCB-TZMCWYRMSA-N 496.382 2.409 30 10 JEEE CCn1cc(C(=O)NCC23CC(CN2C(=O)OC(C)(C)C)C3)nc1B1OC(C)(C)C(C)(C)O1 2282541538 ZMIRJDTWWPWCCR-UHFFFAOYSA-N 460.384 2.332 30 10 JEEE C[C@@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 2282626382 BJUDZYUHKFIOJA-HZPDHXFCSA-N 462.400 2.485 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)Nc2ccnc(NC(=O)OC(C)(C)C)c2)n1 2282836619 MIJQNMHZUCJNLQ-UHFFFAOYSA-N 479.368 2.262 30 10 JEEE CN(Cc1ccccc1)C[C@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1O)C(=O)O 2284495312 XVGNYKVHVJGWAO-IBGZPJMESA-N 454.332 2.006 30 10 JEEE Cc1c(C(=O)N2C[C@@H]3C[C@@]3(CNC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2288252966 SGBSEHPZRGAGIE-NPMXOYFQSA-N 460.384 2.015 30 10 JEEE O=C(C=Cc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 2318788362 IQIVCGBGEYJQNN-UHFFFAOYSA-N 453.436 2.407 30 10 JEEE CC1(C)OB(c2cc(S(=O)(=O)N[C@H](CCO)COCc3ccccc3)ccc2F)OC1(C)C 2369631715 YPBFBJUUKSUTNB-GOSISDBHSA-N 479.379 2.371 30 10 JEEE COC(=O)c1ccc(/C=N/Nc2nc(SCCC(=O)Nc3ccc4c(c3)C(=O)NC4=O)n[nH]2)cc1 20906085 FCYRBMCGJCBYDU-FOKLQQMPSA-N 493.505 2.042 30 10 JEEE C=CCNC(=O)CN1CCN(c2ccc(C(=O)c3ccccc3C(=O)OC)cc2[N+](=O)[O-])CC1 29403408 PEKMSZFBJWJNOE-UHFFFAOYSA-N 466.494 2.037 30 10 JEEE C#CCN1CCC[C@H]1COC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 729810112 UKVXOECQIPPOCW-FUHWJXTLSA-N 455.374 2.243 30 10 JEEE COc1cc(C=NNc2nnc(SCC(=O)N[C@H](C)c3ccccc3)n2N)cc(OC)c1OC 1084356955 RHAAHFQAKWKASR-CQSZACIVSA-N 485.570 2.433 30 10 JEEE COc1cc(C=NNc2nc(SCCC(=O)Nc3ccccn3)n[nH]2)cc([N+](=O)[O-])c1O 1084433489 QAQDMPVWWOJBMV-UHFFFAOYSA-N 458.460 2.389 30 10 JEEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCCN1CCCO[C@H](C)C1 1286379030 CFWYPNDWIXTWMM-XMMPIXPASA-N 479.673 2.213 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCc1c(F)cccc1F)[C@H]1CCS(=O)(=O)C1 1286398515 KORYATHFYQHRRI-FIKGOQFSSA-N 494.564 2.150 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1cccc(C(=O)N[C@@H](C)CC)c1)[C@@H]1CCS(=O)(=O)C1 1286398832 QODAFPKFILGZBO-VLCRHTCISA-N 499.637 2.333 30 10 JEEE C#CCN(CC#CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCC(=O)NC(C)(C)C 1286432220 BFSGRDVDYCVXJC-UHFFFAOYSA-N 489.668 2.411 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCCN2Cc2ccccc2)CC1 1286485435 LRKDEOJDESMJJT-HSZRJFAPSA-N 491.640 2.047 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(C)cc2OC)CC1 1286492092 GUYRCYNOHGQDPM-UHFFFAOYSA-N 475.597 2.471 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1286558275 MMDNDFVZZRLZBJ-HYBUGGRVSA-N 470.593 2.199 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCCCN2CCCC2)CC1 1286646290 OSYXNSCAJTYRRJ-HXUWFJFHSA-N 466.652 2.034 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)N2CCC[C@H](C)C2)CC1 1286663694 OZNCRLHMXMNNSM-ZVDOUQERSA-N 480.679 2.134 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)O[C@@H](CC)C1 1286671984 DKOYJJVESZOHOV-BZSNNMDCSA-N 455.625 2.217 30 10 JEEE C=CCCOCCn1c(-c2ccccc2OC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1286708662 GNPDCRXXFWFRQO-SFHVURJKSA-N 454.531 2.019 30 10 JEEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](c2ccccc2)C1 1286791084 SWUGGDFGAVFTEO-SFHVURJKSA-N 466.567 2.150 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCc2ccn(C)n2)C1 1286803128 YAJAAMDQZVHACG-LJQANCHMSA-N 456.572 2.106 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC2(CC1)CNC(=O)C2 1286818562 YENGFMQPVDPYEH-QGZVFWFLSA-N 491.589 2.265 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N(C)C[C@@H]1COc2ccccc2O1 1286821132 AYYXWAMWGAFBCW-LJQANCHMSA-N 469.567 2.141 30 10 JEEE CCN1CCC[C@@H]1CN1C[C@H](C(=O)N2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)CC1=O 1297321319 FIWSRKBLKSKQLJ-FCEUIQTBSA-N 458.006 2.382 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1CC1(O)CCCC1)[C@@H]1CCS(=O)(=O)C1 1300485822 ZFQBUTJKKNIIPE-ZWKOTPCHSA-N 476.574 2.489 30 10 JEEE C#CCN(c1nnc(CC2CCCC2)n1CCNC(=O)c1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 1300502396 SNJIGKHQTKDBKC-NRFANRHFSA-N 499.637 2.076 30 10 JEEE C#CCN(c1nnc(COc2ccc(Br)cc2)n1CC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1300504402 NEFVQQMCZCUJGR-MRXNPFEDSA-N 497.415 2.017 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2C[C@H](CC(C)C)N(C)C)CC1 1300690825 KBDRIWNQGCIVLQ-NRFANRHFSA-N 452.603 2.448 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](c2noc(C(C)C)n2)C1 1300952515 XGMWBDPPYHZOPZ-IAGOWNOFSA-N 479.607 2.078 30 10 JEEE C=CCN(c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(C)CN(C)C1=O)C1CC1 1301327038 LJDNTHDKBGHRNC-HXOBKFHXSA-N 460.579 2.220 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCCN(c2nccs2)CC1 1301493101 UKRDVELFSBFWKL-UHFFFAOYSA-N 483.598 2.438 30 10 JEEE C=CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1301611202 JDNQGPARPMNQBR-UHFFFAOYSA-N 492.596 2.240 30 10 JEEE COC(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)c2cccs2)C1 1315101781 BOKZVVOQRWMLBF-KRWDZBQOSA-N 480.550 2.220 30 10 JEEE C#CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1358927470 ZYFJAHPYJMOULK-KRWDZBQOSA-N 468.583 2.102 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2F)n1CCN/C(O)=C1\N=CC=CC1=O 1359021076 ATDDJJQWHFWURT-XUTLUUPISA-N 472.908 2.350 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H]2OCCC2(C)C)CC1 1359028949 KGOTUGVGWVLPKN-FQEVSTJZSA-N 471.005 2.432 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2C[C@@](C)(O)CC)CC1 1359043647 CEAWSWXVSRLNBJ-VWLOTQADSA-N 461.570 2.258 30 10 JEEE C=C(Br)Cn1c(-c2noc3c2COCC3)nnc1N1CCC[C@H](C(=O)OC)C1 1359082162 AWSXGXPPVFXOTM-LBPRGKRZSA-N 452.309 2.304 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2sccc2C1 1359091833 SSHFQZGOHGGQJV-HFTRVMKXSA-N 451.618 2.494 30 10 JEEE C=CCCCCn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1359204516 RYHFKLCNQBKKRT-UHFFFAOYSA-N 454.550 2.292 30 10 JEEE C=CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 1359289226 NNMNLHFUCWCGQU-UHFFFAOYSA-N 452.538 2.226 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1359297319 MPWKOPFZUXZFJK-GJZGRUSLSA-N 462.304 2.124 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@](C)(O)c2ccccc2Cl)C1 1359313498 NKBFHGFSBUCFDN-GCKMJXCFSA-N 484.022 2.231 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](CC)c2ccccc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1359328218 XGQCUAQVYJEISM-VAMGGRTRSA-N 457.600 2.136 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC(NC(=O)c2cc(C)oc2C)CC1 1359336465 QRAXTJHPXZJKMH-HXUWFJFHSA-N 491.614 2.339 30 10 JEEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1359341353 UNCJQNLBVSYKRF-IBGZPJMESA-N 472.663 2.121 30 10 JEEE C#CCNC(=O)C1CCN(C(=O)CN(CCNC(=O)OC(C)(C)C)Cc2ccccc2)CC1 1459471253 ZUMCWDSCTOEYMQ-UHFFFAOYSA-N 456.587 2.001 30 10 JEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(Oc2cncc(Cl)n2)CC1 1507589225 UXLWWKDLAGSQMH-OAHLLOKOSA-N 464.979 2.085 30 10 JEEE C#CCN(c1nnc(-c2cccc(Br)c2)n1C[C@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1507626305 NJNDGYQRZQAXOG-YLJYHZDGSA-N 481.416 2.495 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1Cc1c(CC)nn(C)c1OC)[C@@H]1CCS(=O)(=O)C1 1507628584 PIILYQVPKLFLFD-HXUWFJFHSA-N 496.637 2.487 30 10 JEEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCNC(=O)c1ccco1 1507652242 FEORIEQPFPABGZ-UHFFFAOYSA-N 480.569 2.488 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCN(c2ccnc(C)n2)CC1 1507808178 TYODXTXJKLGVON-UZKOGDIHSA-N 471.606 2.408 30 10 JEEE C=CCCOCCn1c(N2C[C@H](C)OC3(CCOCC3)C2)nnc1[C@@]1(OCC)CCOC1 1507965709 IHMQIMIQYYZQDQ-WMZHIEFXSA-N 450.580 2.297 30 10 JEEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](O)(c2ccc(F)cc2)C1 1508152157 IZRRPDXYYQQDBP-YWZLYKJASA-N 469.608 2.045 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCN1c2ccccc2C[C@H]1C 1513408078 GXVIBMFMQUVFPS-YLJYHZDGSA-N 451.575 2.376 30 10 JEEE C#CCCCn1c(Cc2ccccc2OC)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1539123720 CVUPCGUKVCKESF-XMMPIXPASA-N 450.543 2.105 30 10 JEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1(SC)CCN(C)CC1 1539238483 YFYAPFBRHSBRFQ-UHFFFAOYSA-N 499.710 2.447 30 10 JEEE C#CCN(CC#C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@]1(O)CCS(=O)(=O)C1 1539238909 DTOQEGROPARJNT-MBSDFSHPSA-N 491.013 2.311 30 10 JEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2c(F)cc(F)c(F)c2F)CC1 1539459911 RTWDMJYGURCUNH-UHFFFAOYSA-N 461.467 2.500 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H]2CCOC[C@@H]2C)CC1 1539484629 XASGJGOAROJDSW-LPHOPBHVSA-N 456.616 2.272 30 10 JEEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)C1=O 1539989139 BIVHXBKDNBXXID-QGZVFWFLSA-N 453.417 2.266 30 10 JEEE C=CCCOCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1540039538 AOOIOTDICVGNGX-IBGZPJMESA-N 458.588 2.123 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1CC1(S(C)(=O)=O)CCC1 1540179805 AGQHIXOBSJTEEZ-IBGZPJMESA-N 457.600 2.432 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1540872041 AKILEVGUNUEORH-UHFFFAOYSA-N 471.606 2.314 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1540897099 AFCMPBDFZYFDMM-ZHRRBRCNSA-N 493.561 2.189 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(OCc2ccccc2F)CC1 1540902837 RTZVSCQKZYRQKE-FQEVSTJZSA-N 491.589 2.155 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1Cc1c(F)cccc1N1CCCC1 1541907813 FMDWAEAWZWHYSU-HZPDHXFCSA-N 463.583 2.414 30 10 JEEE COc1ccccc1N1CC[C@@H](NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1=O 1544472235 FJWLPCNAKRCPNY-MAUKXSAKSA-N 452.898 2.495 30 10 JEEE CCN(CCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@](F)(C#N)C1)S(C)(=O)=O 1547572369 ADYJGAJRKAVLJO-KRWDZBQOSA-N 488.387 2.149 30 10 JEEE CC(C)(O)CC[C@H](O)[C@](C)(O)[C@@H]1CC[C@]2(O)C3=CC(=NO)[C@@H]4C[C@H](O)[C@H](O)C[C@]4(C)[C@@H]3CC[C@]12C 1565518695 CBQFTGKSOCYQEV-ORGMKAQYSA-N 495.657 2.115 30 10 JEEE C#CCCCCn1c(-c2ccccc2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1587745999 GHBPEMCOEAWNJB-UHFFFAOYSA-N 467.599 2.301 30 10 JEEE C#CCCCCn1c(COc2cccc(C)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1587783789 XWCMHTKAFGHINE-HXUWFJFHSA-N 450.543 2.442 30 10 JEEE C#CCCCCn1c(N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)nnc1[C@@]1(OCC)CCOC1 1587793090 GWHWWYIAIUTYAE-HSZRJFAPSA-N 469.546 2.364 30 10 JEEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H](c1cccc(C)c1)N1CCOCC1 1587921936 NEPKOKFFQIQGSE-DHLKQENFSA-N 453.587 2.382 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H](C)c1nc(C)cs1)[C@@H]1CCS(=O)(=O)C1 1588065146 VKLPVGOKHLJYOL-VQIMIIECSA-N 470.624 2.459 30 10 JEEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1CCN(C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1588068904 BVHWMSUHQRJOFC-OAQYLSRUSA-N 473.643 2.441 30 10 JEEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(O)CCN(C(C)C)CC1 1588399942 UIKXFUHOAXMWFE-HXUWFJFHSA-N 490.649 2.281 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCCN2C[C@H](C)C[C@@H](C)C2)CC1 1588865334 UEEJOPNBLVSJMT-NHCUHLMSSA-N 483.686 2.393 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](OC)c2ccc(Cl)cc2)CC1 1588923983 SOTGOMUCOSNVFD-WOJBJXKFSA-N 484.988 2.236 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCC2CCN(CC)CC2)CC1 1594241485 RPLRKQIWELKFAT-OAQYLSRUSA-N 480.679 2.135 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ncc(F)cn2)CC1 1594499047 ZKPLOCLDBAJXJV-INIZCTEOSA-N 463.583 2.038 30 10 JEEE C=CCCOCCn1c(-c2cccc(C)n2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1594807370 MUMNBBVLPYSBDO-UHFFFAOYSA-N 467.618 2.376 30 10 JEEE C=CCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCC(S(C)(=O)=O)CC1 1595387066 OFVLYSWXUSIUEO-UHFFFAOYSA-N 456.572 2.264 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@H](CC)C1 1595789185 OTNYTIUIKADQTR-MRXNPFEDSA-N 456.572 2.029 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1Cc1cccc2c1OCCCO2 1611683847 ANLWTKNKNKRADC-INIZCTEOSA-N 474.587 2.228 30 10 JEEE CS(=O)(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCCO2)C1 1620172415 DIKJJXWXVTWBNE-ICSRJNTNSA-N 458.588 2.151 30 10 JEEE CC(=O)N1CCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC12CCCCC2 1624602544 PCACMIMWMXWXLP-FQEVSTJZSA-N 451.527 2.157 30 10 JEEE C=C(C)CN(C)C(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 1640867843 HDJFAIUVVFQHAG-CQSZACIVSA-N 455.886 2.306 30 10 JEEE C[C@@H]1CN(CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)CCN1CC(C)(C)O 1642737670 DRKODEUCLQJMMV-RTBURBONSA-N 457.619 2.133 30 10 JEEE C#CCN1CCN(C(=O)CN[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccc(F)cc2)CC1 1643776168 PQFBEFDRHHAFSC-FGZHOGPDSA-N 458.578 2.286 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H](C2CCN(S(=O)(=O)c3ccc(C#N)nc3)CC2)C1 1662493760 FRVJBTAHDYZYRP-VQIMIIECSA-N 450.561 2.426 30 10 JEEE C=CCc1cc(CNC(=O)NCc2cn(CC(F)(F)F)c(=O)nc2O)cc(OC)c1OC 1677641404 NAPGIKIAWPJKPN-UHFFFAOYSA-N 456.421 2.256 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](c1ccccc1)N1CCOCC1 1689824011 FLAXOSDHJYQHKQ-PZJWPPBQSA-N 459.554 2.457 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H](C)N1CCN(CC)CC1 1689825802 CYKICBWCWBLTFM-OALUTQOASA-N 472.037 2.345 30 10 JEEE C#CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1689921215 YPSUAWMSVGTQBJ-UHFFFAOYSA-N 466.586 2.120 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCN(CCC)C1)[C@H]1CCS(=O)(=O)C1 1689983990 IXVYUCKWIFTTRM-UNMCSNQZSA-N 466.611 2.175 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1CC1(C(N)=O)CCCC1)[C@@H]1CCS(=O)(=O)C1 1689984817 VVODGQOHZIKJIT-MRXNPFEDSA-N 493.992 2.410 30 10 JEEE C#CCN(c1nnc(-c2ccccc2F)n1CC1CCN(C(=O)OC)CC1)[C@@H]1CCS(=O)(=O)C1 1689986810 XOKHUKDPARKGJE-GOSISDBHSA-N 489.573 2.189 30 10 JEEE C#CCN(c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCCC)[C@H]1CCS(=O)(=O)C1 1689991342 ZWIVLGJQUNTUNH-RBUKOAKNSA-N 495.646 2.403 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1C[C@@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1689996277 GIUWNHGMUSXFRN-XXBNENTESA-N 460.600 2.262 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@]1(N(C)C)CCSC1 1689999903 LTBIXFFFEHXWNI-HSZRJFAPSA-N 471.030 2.372 30 10 JEEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(N2CCOC2=O)cc1 1690003353 LDXOMLZLLPGZSC-RUZDIDTESA-N 463.538 2.396 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCNC(=O)c2ccccc2F)CC1 1690117814 WTNWDKGWFNABFJ-UHFFFAOYSA-N 467.936 2.318 30 10 JEEE C#CCSCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCO[C@H](C(=O)NC)C1 1690159482 CAEIHGWLHSBEIX-KRWDZBQOSA-N 494.415 2.034 30 10 JEEE C=CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H](C)CN1CCN(CC)CC1 1690524049 YFPBAVPSAOTULO-SFHVURJKSA-N 450.591 2.490 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 1690666599 AIEGHELLFJEJGE-IBGZPJMESA-N 463.586 2.498 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(Nc2ccccc2Cl)CC1 1690669488 HBASQHMOQYJIDR-GOSISDBHSA-N 457.966 2.266 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1690676202 SHGIVBYGRWYPDR-GOSISDBHSA-N 482.006 2.216 30 10 JEEE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)C(C)(C)C)C1 1690786077 DYVWWVYZBXJRIR-LJQANCHMSA-N 472.615 2.335 30 10 JEEE CCN1CCCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)OC)CC1 1695852009 GOEYDIOYBAKFNR-HXUWFJFHSA-N 467.574 2.492 30 10 JEEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCCN2CC)C1 1695944862 BGGOSGFVDWNJPZ-LEWJYISDSA-N 471.631 2.209 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2cccc(C)c2C)n1CC(=O)N(C)CC)[C@H]1CCS(=O)(=O)C1 1705562201 YUMWPJDAGCNOEW-PMACEKPBSA-N 487.626 2.140 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H](c1cccc(F)c1)N(C)C)[C@H]1CCS(=O)(=O)C1 1705570404 MXLMNIUANKQAIJ-GOTSBHOMSA-N 496.612 2.333 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@](C)(O)c1cc(C)oc1C 1705576047 DOXZSIUJMSCLFQ-XMMPIXPASA-N 456.510 2.111 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CC[C@@H]2CCOC2)CC1 1705633972 DMTZDMISPZHUGX-GOSISDBHSA-N 455.559 2.153 30 10 JEEE C#CCN1CCN(c2nnc(CCN3CCN(c4ccccc4)CC3)n2CCC(C)(F)F)CC1 1705641416 DMUNBKLXJLDNAG-UHFFFAOYSA-N 471.600 2.443 30 10 JEEE C=C(Br)Cn1c(N2CCN([C@@H](C)c3nc(C)no3)CC2)nnc1[C@]1(OCC)CCOC1 1705692334 GPDLEPDGVYJBNP-YWZLYKJASA-N 496.410 2.413 30 10 JEEE C=C(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](c2cnn(C)c2)C1)c1ccccc1 1705741138 HBQOYYCFWHOUCX-MJGOQNOKSA-N 455.588 2.329 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCOc2cccc(Cl)c2)CC1 1705769155 KMCBRWAPDCFVTB-IBGZPJMESA-N 482.006 2.500 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccc(NC(N)=O)cc2)C1 1705916641 MMKBWAHXLFUXCQ-AUSIDOKSSA-N 456.547 2.250 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2c[nH]c3ccccc23)C1 1705917556 XJUSPRZUSFYSBH-WMZOPIPTSA-N 458.588 2.394 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@]2(O)CCOC2)C1 1705929017 YJIADTYXIBXRIO-BSRJHKFKSA-N 463.579 2.283 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1705932615 WWBMSECEIGBKDE-MRXNPFEDSA-N 464.592 2.320 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@@H]1CCO[C@@H](C)C1 1708751305 FNZPDHPKPQGBOE-PKOBYXMFSA-N 497.648 2.252 30 10 JEEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCn1cc([C@H]2CCOC2)cn1 1722341887 FOCCRNBHHOJIEK-SFHVURJKSA-N 467.961 2.332 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCOc1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 1722361465 NLSZZIYJUAGBIY-GOSISDBHSA-N 474.974 2.038 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(N(C)C(=O)OCC)CC1 1722493818 KDAKEMBYURQAMK-HKUYNNGSSA-N 462.595 2.455 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCNC(=O)[C@@H]1CC 1722496570 YBKJFRMXNAWWFY-HOJAQTOUSA-N 473.599 2.045 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3ncc(F)cn3)CC2)cc1 1722702159 FUUHCPDIKWLYJF-UHFFFAOYSA-N 480.548 2.285 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)c2cccs2)CC1 1722726249 ZVSTVDFYAQEMMY-UHFFFAOYSA-N 479.628 2.178 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CCc1cnn(-c2ccccc2)c1 1723927529 FRYPVYOSMHEVNT-SFHVURJKSA-N 482.614 2.447 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccccc1N1CCCCC1 1723933650 GMLQWVOEBBNFBA-JTSKRJEESA-N 475.594 2.369 30 10 JEEE CN(C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](C(N)=O)C1)C1CCCCC1 1729291521 GETCBIHBVOFIHD-IBGZPJMESA-N 479.585 2.222 30 10 JEEE COc1cc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCC(=O)N2CCOCC2)ccc1OC(C)C 1729969576 AVNLEROGDVHBKG-DEOSSOPVSA-N 486.548 2.432 30 10 JEEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N2CCCCCC2)CCN1S(C)(=O)=O 1731148984 GHLSZIYEDWXWLD-IBGZPJMESA-N 499.641 2.080 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2Cc2ccc(NC(C)=O)nc2)c1 1740561683 APQRDMGOJANAPE-UHFFFAOYSA-N 483.536 2.137 30 10 JEEE C#CCN(c1nnc([C@@H](C)OCCOC)n1Cc1cscc1C)[C@@H]1CCS(=O)(=O)C1 1740617224 NZVCFNXXKVOCEV-SJLPKXTDSA-N 452.602 2.047 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCCn2ccnc21 1740680468 COWSRSCJGMLOEA-FQEVSTJZSA-N 497.625 2.056 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1740699790 TXZTVOSAJXHJDA-NRFANRHFSA-N 471.627 2.054 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccc(CN(CC)CC)c2)CC1 1740705233 DTADRPTZLGVPFT-HSZRJFAPSA-N 491.640 2.085 30 10 JEEE C#CCSCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1740721608 OABKLQIGXHDAGW-LJQANCHMSA-N 494.625 2.372 30 10 JEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cnc(C(C)C)nc1 1740875921 MRBRSZYUZNZVJW-GOSISDBHSA-N 463.608 2.127 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1740955391 SWGGRMUIOSZYQL-LJQANCHMSA-N 482.585 2.246 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1740969904 XMYQVQBREPBXKJ-MOPGFXCFSA-N 473.599 2.246 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(CC(F)F)CC1 1740987656 WUHINXMBSNRZKT-UHFFFAOYSA-N 493.378 2.024 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CC[C@H](N(C)Cc2ccccc2)C1 1740993093 YELHJKGGZIWIBE-RTWAWAEBSA-N 459.616 2.094 30 10 JEEE C=CCSCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@H](C(=O)NC)C1 1740996606 FPCUAIWOVCEVOW-KRWDZBQOSA-N 491.687 2.428 30 10 JEEE C=CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1740998254 KEUCOIROSZAGGA-GOSISDBHSA-N 467.603 2.145 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(NC(C)=O)nc1 1748671901 OAZDCDDOQLEVCG-QFBILLFUSA-N 483.573 2.446 30 10 JEEE C#CCCCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1748731743 KLZDPEAJNGBDSM-MJGOQNOKSA-N 484.988 2.249 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1OCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1748821057 LQLSCVIJPMGUHP-TZIWHRDSSA-N 483.594 2.171 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1C[C@@H](c1ccc(OC)cc1)N1CCCC1 1748825251 WXVATMZBUKCWJH-QHCPKHFHSA-N 460.582 2.433 30 10 JEEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1748830391 VLUMKDAAOSWXKS-IGKIAQTJSA-N 477.609 2.293 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2CC2([S@@](C)=O)CCC2)CC1 1748978589 NSEMVNPUQMMBJY-GDLZYMKVSA-N 479.448 2.103 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2nc3c(s2)C[C@@H](C)CC3)CC1 1749001074 HBLXGDMSBQRHOI-INIZCTEOSA-N 483.642 2.012 30 10 JEEE C=C(Br)Cn1c(-c2noc3c2COCC3)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1749097976 LTOWXSBVOLFPJT-CHWSQXEVSA-N 454.325 2.155 30 10 JEEE C=C(C)COCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1749215575 BKRHWVOOKMDCQD-HXUWFJFHSA-N 463.542 2.176 30 10 JEEE C=CCCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1749390694 HHHYTTXCYKOEBU-SJORKVTESA-N 456.522 2.061 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCN(CC)C1 1749553061 DVMNLPCAFSWAEQ-ICSRJNTNSA-N 494.687 2.207 30 10 JEEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1749671184 ZNAZVSOCALLPKW-LJQANCHMSA-N 468.606 2.006 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCc2cccc(F)c2)C1 1749713847 ZLNNOWYIHDDRON-SFTDATJTSA-N 493.605 2.164 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1749729304 GHUSCPQYBAXZKU-QGZVFWFLSA-N 496.572 2.062 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(c2ccc(C)cc2)C(=O)C1 1749731299 AXVPQQRZOOVADF-HXUWFJFHSA-N 473.599 2.282 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1749737961 BJPDBNHKUXZRCQ-HXUWFJFHSA-N 480.656 2.068 30 10 JEEE CC(C)N(C)CCCn1c(-c2ccccn2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1750878544 FBWLTZDUKPPMMZ-IBGZPJMESA-N 460.590 2.447 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl 1760155493 ZQSFEEQZBLXCBC-RLFYNMQTSA-N 476.430 2.045 30 10 JEEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1cccc(Br)n1 1760170975 UJFYAPZYXIULMT-UHFFFAOYSA-N 464.327 2.467 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1CC1CN(C(=O)OC(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1 1760184083 VEJCMFXKMJXOLK-KRWDZBQOSA-N 465.620 2.069 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1CC(C)(C)N1CCC(OC)CC1 1760222474 LTJYFZYLLOKAGW-UNMCSNQZSA-N 457.619 2.354 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)Oc2ccc(F)cc2)CC1 1760389432 KKNXRXFHSFEGOC-YLJYHZDGSA-N 479.578 2.374 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CC[C@H](CN2CCOCC2)C1 1760519917 UOTQFOMUWUZGHY-QGZVFWFLSA-N 489.418 2.168 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1760525048 RPWXHSSUCMIRJT-UNMCSNQZSA-N 452.603 2.027 30 10 JEEE CN(C)CC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1768505014 HYWZQPKDAWIKCE-UHFFFAOYSA-N 487.612 2.225 30 10 JEEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(N(C)C)CCSC2)C[C@H](C)O1 1769490185 BQOFHBWADXKDOH-NYDSKATKSA-N 456.616 2.494 30 10 JEEE CN(c1ccc(NS(=O)(=O)c2ccccc2C#N)cn1)S(=O)(=O)c1ccc2nc(O)oc2c1 1858272842 ZTWQWGJDUKCNGG-UHFFFAOYSA-N 485.503 2.426 30 10 JEEE C=CCN(CC=C)C(=O)[C@@H]1CSCN1C(=O)[C@@H]1CC(=O)N(CCc2ccc(OC)c(OC)c2)C1 1862162604 QTZZWASUXQEREW-UXHICEINSA-N 487.622 2.197 30 10 JEEE C=CCn1c(C(=O)NCCCCN2CCCC2)cc2c(N(CCOC)CCOC)ncnc21 1873594912 HKJIVTBEHCEIGM-UHFFFAOYSA-N 458.607 2.322 30 10 JEEE COC(=O)CSc1nnc([C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)n1/N=C/c1ccccn1 1874200467 BNOXQIUZIRBZPH-ZIFAQYRBSA-N 466.523 2.350 30 10 JEEE CCOc1ccc(Cc2nnc(SCC(N)=O)n2/N=C/c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 1874302537 DONLSMZWKVYKNB-WYMPLXKRSA-N 498.521 2.407 30 10 JEEE COCc1nnc(SCC(=O)NCc2ccco2)n1/N=C/c1cc(OC)c(OC)cc1OC 1874501267 YTBURXQDBDNMGC-AUEPDCJTSA-N 475.527 2.334 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)NC1(CO)CCN(C(=O)OC(C)(C)C)CC1 2069744638 QSDMSIWRGLLPML-MRXNPFEDSA-N 454.568 2.452 30 10 JEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C(=O)N2C[C@H]3[C@H](B4OC(C)(C)C(C)(C)O4)[C@H]3C2)[C@H]1OC 2205488399 LHPFRGWAYBJNJN-UFYUIRFASA-N 466.384 2.186 30 10 JEEE C[C@H](CN(C)Cc1ccccc1)NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2255796137 LYXWXSHPHVRYTB-MRXNPFEDSA-N 465.450 2.382 30 10 JEEE C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1csc(B2OC(C)(C)C(C)(C)O2)c1 2256629164 QTAMBWHRRGVEKJ-XJKSGUPXSA-N 454.398 2.280 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H](NC(=O)C(F)(F)F)CC[C@@H]1C 2267121959 FKMVUZLYEONSSL-CMPLNLGQSA-N 461.315 2.422 30 10 JEEE Cc1ccc(S(=O)(=O)NC[C@@H]2C[C@H]2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2267360386 UFWLODUZXYDFGN-DOTOQJQBSA-N 466.409 2.486 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](NS(=O)(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)CCO1 2267375130 CKDMLTKVWVEIMB-OAHLLOKOSA-N 468.381 2.205 30 10 JEEE CC(C)(C)OC(=O)NCC=CCNS(=O)(=O)c1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2267474286 RXCAFSYRNVQXJW-UHFFFAOYSA-N 470.372 2.484 30 10 JEEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2267474353 SSBYAGLQMKVHKG-KGLIPLIRSA-N 487.453 2.117 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](CNC(=O)c2csc(B3OC(C)(C)C(C)(C)O3)c2)C[C@@H]1O 2267562065 XTLCWRMFAFJREK-BMFZPTHFSA-N 466.409 2.441 30 10 JEEE CC(C)(C)OC(=O)N1CCC12CN(S(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1)C2 2267715567 ZHEIKVVTJDPFEB-UHFFFAOYSA-N 464.393 2.370 30 10 JEEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)[C@@H]2C[C@H]21 2267718225 PXLCOWVQLPTTAH-QZTJIDSGSA-N 464.393 2.368 30 10 JEEE Cn1c(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)s2)cnc1CNC(=O)OC(C)(C)C 2268645225 FAHKQXSCHPCLLZ-UHFFFAOYSA-N 463.369 2.453 30 10 JEEE C[C@H](C(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)cs1)N1CC(NC(=O)OC(C)(C)C)C1 2268710901 JQSVWIURWGFYNT-CQSZACIVSA-N 465.425 2.261 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2F)C1 2281791032 WLWUIOKZZKLXDY-ROUUACIJSA-N 464.343 2.225 30 10 JEEE Cn1cc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)CC23CC3)c(B2OC(C)(C)C(C)(C)O2)n1 2281966118 NGSSHSWDEHAMBO-MRXNPFEDSA-N 460.384 2.239 30 10 JEEE Cn1nc(C(=O)N2CCC[C@@H]3[C@@H]2CCN3C(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2281977307 NMOCAVAVGHGWQH-SJORKVTESA-N 460.384 2.333 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 2281999500 FMUWFLXZQNNYEY-QHCPKHFHSA-N 462.400 2.405 30 10 JEEE CC(C)CN(C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)C1CN(C(=O)OC(C)(C)C)C1 2282056859 YHBLBZDWBNNMPF-UHFFFAOYSA-N 460.384 2.493 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)N1C[C@H](O)C[C@@H]1CNC(=O)OC(C)(C)C 2282150468 UAJYNYLSINFASV-QZTJIDSGSA-N 460.380 2.394 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C[C@]12CCOC2 2282193908 SIPOFPRRKOUQHS-MWTRTKDXSA-N 461.368 2.212 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)CCCO1 2282520664 SWHNTQDDOOXECI-MRXNPFEDSA-N 461.368 2.137 30 10 JEEE Cc1c(C(=O)N2C[C@H](C)[C@H](CNC(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282555019 MQWUCIMWGYDEHZ-GOEBONIOSA-N 462.400 2.261 30 10 JEEE Cc1cc(C(=O)N[C@@H]2CO[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)oc1B1OC(C)(C)C(C)(C)O1 2282585771 PYEQEAXNIUQVAJ-INMHGKMJSA-N 462.352 2.251 30 10 JEEE CN(C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 2282615996 VEBANYWTGALWKN-LSDHHAIUSA-N 463.388 2.022 30 10 JEEE CC1(C)OB(c2cccnc2C(=O)N2C[C@H]3CC[C@H]2[C@H](NC(=O)C(F)(F)F)C3)OC1(C)C 2282670506 IMHGVSPGGYSERM-CFVMTHIKSA-N 453.270 2.052 30 10 JEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2283926576 PVWWZZSNMMDVKN-JKSUJKDBSA-N 481.424 2.331 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1CCc2cccc(B3OC(C)(C)C(C)(C)O3)c21 2283972027 CKWVBGVDBKERRH-FUHWJXTLSA-N 458.364 2.245 30 10 JEEE CN(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccccc1B1OC(C)(C)C(C)(C)O1 2284068282 BMNGRZKTALCBCH-LJQANCHMSA-N 461.412 2.399 30 10 JEEE CN(Cc1ccccc1)C[C@H](NC(=O)c1cc(F)ccc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284494860 SFYXMFLNWNLJMI-FQEVSTJZSA-N 456.323 2.440 30 10 JEEE COC[C@@H](ONC(=O)OC(C)(C)C)C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2285188374 QDXGBRUAPIGUOM-QGZVFWFLSA-N 468.331 2.212 30 10 JEEE CC1(C)OB(c2sccc2CS(=O)(=O)N2CCC[C@H](NC(=O)C(F)(F)F)CC2)OC1(C)C 2286112344 NQWULOLDBIMZPC-AWEZNQCLSA-N 496.382 2.410 30 10 JEEE C[C@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)CC2(CN(C(=O)OC(C)(C)C)C2)O1 2288585698 HQHFZEZHFHXYSC-AWEZNQCLSA-N 479.408 2.293 30 10 JEEE CCOc1cc(C=Nn2c(CCOC)nnc2SCC(=O)NCc2ccco2)ccc1O 2331276290 FJKASAYATJHNGS-UHFFFAOYSA-N 459.528 2.455 30 10 JEEE CN[C@H](C#Cc1cnn(CCOC)c1)CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1 2340529274 BGQIOXWTVXENBX-HSZRJFAPSA-N 455.603 2.496 30 10 JEEE CS(=O)(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)Nc3sccc3C#N)CC2)cc1 8933368 VABPNQCWLXRBIP-UHFFFAOYSA-N 453.567 2.063 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(CCN4CCC(C(N)=O)CC4)cc3)cc2C1=O 505062004 OLUQHCUMYRDZPL-UHFFFAOYSA-N 460.534 2.461 30 10 JEEE COC[C@@H](C)/N=C(/NN)Nc1cc(I)cc(I)c1 690322661 RCQQNRFTGGMQTC-SSDOTTSWSA-N 474.084 2.162 30 10 JEEE C#Cc1cccc(-n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3cc(C)c(OC)c(C)c3)c2=O)c1 726582536 KWXNAAYICMLPSG-UHFFFAOYSA-N 469.566 2.287 30 10 JEEE COc1ccc(-n2c(=C(C#N)C(=O)C(C)(C)C)sc(=Cc3cnn4ccccc34)c2=O)cn1 729672584 VZGKRKKVCZMCGO-UHFFFAOYSA-N 459.531 2.069 30 10 JEEE C=CCNC(=O)CN1CCN(C(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)CC1 914445583 YYTJCZMNPGLPGH-SAPNQHFASA-N 478.665 2.176 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)OCCc3cc(C(N)=O)c(O)nc3C(F)(F)F)cc2C1=O 918511278 HQTZAYIJSQZKFL-UHFFFAOYSA-N 463.368 2.086 30 10 JEEE COCCn1cc(C=NNc2nc(SCC(=O)NC3C4CC5CC(C4)CC3C5)n[nH]2)cn1 1084212866 KLNRKNKZTJWKQE-UHFFFAOYSA-N 458.592 2.127 30 10 JEEE C#C[C@H]1CCCCN1C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1 1158806829 YJLRLUWZELJSEJ-NRFANRHFSA-N 459.612 2.437 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(F)cc1F)[C@H]1CCS(=O)(=O)C1 1286380223 BIAWPNNVHSPYCH-CVDCTZTESA-N 494.564 2.272 30 10 JEEE C#CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCN1CCN(C)C(C)(C)C1 1286381744 SYLIESUOFSINQY-IBGZPJMESA-N 459.639 2.446 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCCOC(F)F)[C@H]1CCS(=O)(=O)C1 1286389155 YQCLPZJFHLAWMF-INIZCTEOSA-N 454.499 2.210 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCCn1ccnn1 1286419274 QDSLNMQIUGJTAE-UHFFFAOYSA-N 450.934 2.006 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](OC)c2ccc(F)cc2)CC1 1286470469 ZVXKZSLFHVJZSP-FQEVSTJZSA-N 463.517 2.207 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccc(OCC(F)(F)F)nc2)CC1 1286485036 AXDKOWNOOHZMGX-QGZVFWFLSA-N 450.465 2.269 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@H]2CCCCO2)CC1 1286491307 MNNNWTLPYPJGSW-NRFANRHFSA-N 451.571 2.412 30 10 JEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 1286495000 RCGSLSALEZFCGH-KRWDZBQOSA-N 462.620 2.232 30 10 JEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1286711946 ROSILYROSSQMEK-DLBZAZTESA-N 467.617 2.116 30 10 JEEE C=CCN(Cc1cccs1)c1nnc(-c2ccc3c(c2)OCO3)n1CCS(=O)(=O)NC 1286747281 HEJHRWYLOGQIIK-UHFFFAOYSA-N 461.569 2.477 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](c2cccc(Cl)c2)C1 1286779783 XZEQQEXVEJIQFT-SFHVURJKSA-N 458.950 2.048 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1286784697 QRCDLCQQOADJJI-INIZCTEOSA-N 484.557 2.422 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 1286788295 UIPHPPMCNRKQSB-QGZVFWFLSA-N 458.588 2.154 30 10 JEEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 1286792916 LLCWISSTEQAUCT-HNNXBMFYSA-N 461.954 2.020 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](CN2CCCC[C@@H]2C)C1 1286813970 GVYBDPJPHWNHPE-PMACEKPBSA-N 480.679 2.108 30 10 JEEE CCC(CC)(Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1)OC 1291914951 DAHQZVIRIIHXLH-KRWDZBQOSA-N 460.604 2.492 30 10 JEEE C=CC[C@@H](NC(=O)CN1CCN(Cc2ccc(Br)cc2F)CC1)C(=O)OCC 1296236111 CYSQVWXJYSAQGN-GOSISDBHSA-N 456.356 2.330 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)Nc3ccccn3)n2Cc2cc(C)on2)c1 1300331667 ODSZGFVMLPBVPW-UHFFFAOYSA-N 470.493 2.326 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@H](CC)OC)[C@@H]1CCS(=O)(=O)C1 1300484442 SGDQTTVSELNTSL-CABCVRRESA-N 470.393 2.087 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCc1cc(OC)ccc1OC)[C@H]1CCS(=O)(=O)C1 1300506432 TTZXFQDUWBDOMC-SIKLNZKXSA-N 488.610 2.406 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@]1(O)CCO[C@@H]1C 1300578994 LLZZTWGWJCPWJS-BCHFMIIMSA-N 474.565 2.068 30 10 JEEE C#CCSCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1300740934 IEHWRJCMSWHPID-IAGOWNOFSA-N 458.563 2.480 30 10 JEEE C#CCSCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC(C(N)=O)CC1 1300743214 IYLDQWZHZHIQKT-UHFFFAOYSA-N 459.572 2.039 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1300881324 NSIHDJYTDFCPPM-WIYYLYMNSA-N 474.631 2.490 30 10 JEEE C=CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1301195422 YYESYLOSSHVFGZ-UHFFFAOYSA-N 454.535 2.387 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 1301479104 TZVCBVZCLKJURU-MOPGFXCFSA-N 472.977 2.312 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1301491057 CQJXQJTXACFMDV-QFIPXVFZSA-N 455.950 2.386 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](c2ccccc2)[C@@H]1C 1301568170 PSLIDACDPNVYFU-ICSRJNTNSA-N 457.600 2.497 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N(C)Cc1ccc(N2CCOCC2)cc1 1301588292 FPGFDNMVKRJCGQ-NRFANRHFSA-N 489.642 2.246 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1301589778 WXOBGDVQNOZBLV-RBUKOAKNSA-N 467.636 2.109 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCC(NC(=O)CCC)CC1 1301589829 YCMDWLCEVKHDFG-SFHVURJKSA-N 453.609 2.006 30 10 JEEE N#C[C@H]1CN(c2nnc(CSc3ccc(Cl)cc3)n2Cc2ccc(C(N)=O)nc2)CCO1 1303008911 BZZIWOSSKPJKTH-INIZCTEOSA-N 469.958 2.495 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCCOc1ccc(C)cc1 1358890140 LQBDYFINKFGYJY-PZJWPPBQSA-N 475.615 2.237 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1CCCc1ccnc(C(C)(C)C)n1)[C@H]1CCS(=O)(=O)C1 1358961458 ZNZGOECEGYCDJE-IBGZPJMESA-N 494.625 2.082 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@H]1C[C@H](C)O[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1358965052 MZGMQRVTLSXPAL-WQDJSCAQSA-N 477.656 2.464 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnn(C)c2)n1C[C@@H](C)CN1CCOCC1 1359015730 CLVAVHKLPGVYLU-IBGZPJMESA-N 451.550 2.426 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC2(O)CC(OCC)C2)CC1 1359032636 WLEQGEAVFRZBJD-UHFFFAOYSA-N 459.978 2.292 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(Cl)c(OC)c2)CC1 1359044578 JISTXNDLGWYXPW-SFHVURJKSA-N 457.962 2.458 30 10 JEEE C#CCSCCn1c(Cc2ccsc2)nnc1N1CCN(c2nccc(OC)n2)CC1 1359059130 BKQCJTMXKDXKFK-UHFFFAOYSA-N 455.613 2.422 30 10 JEEE C#CCSCCn1c(N2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)nnc1[C@]1(OCC)CCOC1 1359061679 JONKFYRSABADKJ-HXHBTQRASA-N 450.605 2.069 30 10 JEEE C=C(C)COCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)CC(=O)N1CCOCC1 1359131198 LECRMNLVPFWQCG-UHFFFAOYSA-N 465.558 2.019 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[C@@H]2CCO[C@H](C)C2)CC1 1359179471 WDWTYVXDYSNXOU-RLLQIKCJSA-N 467.636 2.219 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H]1CCOC1 1359258954 IBQLIZYERHARBN-RTWAWAEBSA-N 475.615 2.230 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Br)n2CCCNS(C)(=O)=O)C1 1359317827 RBRGWNDANKQBMR-OAHLLOKOSA-N 484.420 2.428 30 10 JEEE Cc1cc(C)cc(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@H](C)CN2CCOCC2)c1 1361035512 FBYBQAYBRMWMLG-IFMALSPDSA-N 454.575 2.171 30 10 JEEE COc1ccc(Cl)cc1N1C[C@@H](C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)CC1=O 1435550340 CBDYPSAILVTQOL-GJZGRUSLSA-N 454.918 2.100 30 10 JEEE C=CCN(C(=O)c1ccc(I)c([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 1456084122 JASDXWXMZQZECY-LLVKDONJSA-N 450.254 2.015 30 10 JEEE COc1ccccc1Cc1nnc(N2CCO[C@H](C#N)C2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1504409644 DXJWCDIRVSXHBR-IRFCIJBXSA-N 468.602 2.494 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CC2(C)CCOCC2)c1 1507549053 YFONIWRKLAWSEC-UHFFFAOYSA-N 452.559 2.289 30 10 JEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 1507588368 LFFHAUODVMSAOH-DLBZAZTESA-N 451.593 2.087 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCc2ccc(OC)c(Br)c2)CC1 1507715607 FCJWJJXEPZPKAD-UHFFFAOYSA-N 489.418 2.185 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2Cc2ccc(NC(C)=O)nc2)CC1 1507717444 DBEUHFDQEISOOZ-UHFFFAOYSA-N 497.401 2.203 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(F)ccc3Br)n2CC(C)(C)C(=O)NC)CC1 1507719167 YVLCGRJQXYYHEH-UHFFFAOYSA-N 477.382 2.374 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2cccn(CC)c2=O)CC1 1507740846 GHJDYPWBWDENDP-FGZHOGPDSA-N 494.640 2.392 30 10 JEEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(=O)NCCOC)CC1 1507748246 OGUORITXGFQRSN-UHFFFAOYSA-N 452.584 2.162 30 10 JEEE C=C(Br)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(CC(=O)NCCOC)CC1 1507779804 HCXIRSDKXJXNSZ-UHFFFAOYSA-N 497.825 2.392 30 10 JEEE C=C(Cl)Cn1c(-c2noc3c2COCC3)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1507863753 JWWOTBAJBMUXEV-NSHDSACASA-N 460.844 2.263 30 10 JEEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@]2(CCSC2)C1 1507935721 UFRZOIKRZBSAMI-YLJYHZDGSA-N 455.650 2.301 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H](CN2CCOCC2)C1 1508097304 HMSYVKQHJKRYJP-KCZVDYSFSA-N 474.650 2.048 30 10 JEEE C=CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@]2(CNC(=O)C2)C1 1508162958 SPGBTFVUHYXFLC-SBUREZEXSA-N 492.646 2.222 30 10 JEEE C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1)N(C)C1CC1 1510017861 GHRCMVCOHRDMNL-IEBWSBKVSA-N 471.631 2.065 30 10 JEEE CN(CCS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1CC[C@@]1(O)C[C@H]2CC[C@H]1C2 1517352342 FCCWXTGKFFPEAQ-SFYKDHMMSA-N 473.599 2.151 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1538974163 SLQQRPRPYFHTRK-MAUKXSAKSA-N 476.423 2.436 30 10 JEEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 1539089854 UJIMXUBIMSWJPU-INIZCTEOSA-N 450.503 2.423 30 10 JEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1539201100 WANBOLVCXJIAFU-YLJYHZDGSA-N 473.574 2.084 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1Cc1ccc(NC(=O)N(C)C)cc1)[C@H]1CCS(=O)(=O)C1 1539212580 VTNUDJXNSSZERQ-FQEVSTJZSA-N 495.609 2.052 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCNC(=O)c2ccc(C)cc2)CC1 1539436083 IQFHNJXASANGQK-UHFFFAOYSA-N 463.973 2.487 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2Cc2c(CC)nn(C)c2CC)CC1 1539475581 HQRBDMRQZCFSFO-UHFFFAOYSA-N 460.586 2.213 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2c(F)cccc2F)nnc1N(C)CCNS(C)(=O)=O 1539635182 GDNKAJRUZZIDQX-YWZLYKJASA-N 469.558 2.114 30 10 JEEE C=C(C)Cn1c(-c2cc(OC)ccc2Br)nnc1N(C)CCNS(C)(=O)=O 1539688627 LOUZRXAMCJZABG-UHFFFAOYSA-N 458.382 2.278 30 10 JEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](c2ccccc2)N2CCOCC2)CC1 1539873772 DDPWBJQKZRSELS-KNQAVFIVSA-N 488.658 2.364 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1CCC2(CC1)OCCO2 1539916196 HZUNSDOVRTVNFE-IBGZPJMESA-N 497.662 2.335 30 10 JEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(Br)cc1 1540858089 GLKHXPSYLVQDDV-MRXNPFEDSA-N 470.393 2.196 30 10 JEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1540858386 URLMPPRGOYMEKL-ROUUACIJSA-N 462.595 2.466 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1540893551 FOSITHGAYWDZPJ-UYAOXDASSA-N 463.579 2.071 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N(C)Cc1ccc([S@@](C)=O)cc1 1540900725 FUERZXHMNRAZPJ-SSEXGKCCSA-N 459.597 2.315 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CCC[C@H](CC(N)=O)C1 1540901135 UFZJTNUTJJZWGJ-OAHLLOKOSA-N 451.980 2.291 30 10 JEEE C=CCSCCn1c(-c2cccn2C)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1540913479 VGLCMCPUARWKAI-NQIIRXRSSA-N 457.648 2.192 30 10 JEEE C[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1)N(C)C 1541848004 CRRVEAWSLAJVBZ-MAUKXSAKSA-N 456.982 2.031 30 10 JEEE CNC(=O)[C@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CC12CCN(C(=O)N1CCOCC1)CC2 1548377231 FYRJCBPAJCUODO-LJQANCHMSA-N 479.503 2.294 30 10 JEEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCC(CC#N)CC3)n2CCc2cc(F)cc(F)c2)C1 1555812324 DAJSXPUMPAMWDD-HXUWFJFHSA-N 494.568 2.262 30 10 JEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCN(CC(C)(C)O)[C@@H](C)C1 1556220296 CCPNCBRANZUEAJ-AWEZNQCLSA-N 454.365 2.402 30 10 JEEE C#CCSCCNC(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)C1 1564114830 ZHBMHCVOMKRNSI-ZWKOTPCHSA-N 452.621 2.290 30 10 JEEE C=CCc1ccc(OCC(=O)N2CCNC(=O)CC23CN(C(=O)OC(C)(C)C)C3)c(OC)c1 1586211697 XUOPSTVGIFVPBM-UHFFFAOYSA-N 459.543 2.141 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2C[C@]2(O)CCSC2)c1 1587689826 RCJRPYRTGTXKSD-HSZRJFAPSA-N 450.568 2.208 30 10 JEEE C#CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1587831554 PRSNFHLWLURGRD-UHFFFAOYSA-N 475.553 2.196 30 10 JEEE C#CCN(C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@]1(N2CCOCC2)CCSC1 1587927005 PESITAVCWQQBEM-QHCPKHFHSA-N 457.600 2.240 30 10 JEEE C#CCN(c1nnc(-c2ccc(Br)s2)n1C[C@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1588041150 VJGPRXIFKKWMEK-KBPBESRZSA-N 486.461 2.346 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H](C)N1CCC[C@H](C)C1 1588099401 MBLHZHAJDORTFR-SFTDATJTSA-N 482.654 2.389 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2Cc2cccn(CC)c2=O)CC1 1588954374 GOZFZVQYMVCDAM-UHFFFAOYSA-N 464.595 2.126 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1588975606 HWKCUHHNIHRPPU-UHFFFAOYSA-N 489.561 2.024 30 10 JEEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1589110309 SGYMIGJHUMBHLV-JOCHJYFZSA-N 471.608 2.110 30 10 JEEE C=C(Br)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1589444016 ZNOMRRPWPYJTRF-FQEVSTJZSA-N 457.332 2.496 30 10 JEEE C=C(C)COCCn1c(-c2ccc(OC)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1593717683 IOFPIQAWTVNLQU-LJQANCHMSA-N 454.531 2.019 30 10 JEEE C=CC1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2C[C@](C)(O)CCOC)CC1 1594229208 JIWAHHXLANBKAF-JOCHJYFZSA-N 462.620 2.428 30 10 JEEE C=CCCOCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@](C)(C(=O)NC)C1 1594788373 LISCBLSNNDRYSH-QHCPKHFHSA-N 489.646 2.102 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H](C)[C@H](O)c2cc(OC)ccc2OC)ccc1F 1595032569 XKMWWLWLHPZFFQ-RBZFPXEDSA-N 452.504 2.159 30 10 JEEE CC(=O)N1CCN(c2nnc(CCCc3ccccc3)n2CCN/C(O)=C2/N=CC=CC2=O)[C@H](C)C1 1596245772 WRXGNQBKISKRKS-KRXRYSOXSA-N 491.596 2.037 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@@H]2CCCN(S(=O)(=O)c3cncc(C#N)c3)C2)C1 1622321729 CUJLNETYUZURAG-ZHALLVOQSA-N 450.561 2.426 30 10 JEEE C#C[C@@H](NC(=O)c1cccc(S(=O)(=O)NCCOC)c1)c1ccc(Br)cc1 1628542818 KBGAZDSZYVLETD-GOSISDBHSA-N 451.342 2.478 30 10 JEEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCc1ccc(COC2CCOCC2)cc1 1679320047 DSTQKRMQHOVSOT-SFHVURJKSA-N 450.543 2.464 30 10 JEEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(CNC(C)=O)CC1 1689931966 NHTAVJKIKZPARN-FQEVSTJZSA-N 474.606 2.352 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@@H](C)N(C)C1CC1)[C@H]1CCS(=O)(=O)C1 1689983793 HSAZPJPQALLLFP-XLIONFOSSA-N 457.600 2.063 30 10 JEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCOc2ccc(OC)cc2)CC1 1690131911 AAWHQUYFRQNWLX-UHFFFAOYSA-N 463.586 2.373 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(CC(=O)NCC)CC1 1690247464 BGLBURIXJIBXQE-HOYKHHGWSA-N 488.583 2.386 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCOCC2)cc1 1690265632 RJCDDNGDLLEARA-FQEVSTJZSA-N 459.616 2.468 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)Cc1ccc(OC)cc1OC 1690288335 SBOADSGDBUWNEO-HXUWFJFHSA-N 479.603 2.231 30 10 JEEE C=CCCCn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1690474040 PHEVDLCZVMPAKW-CZUORRHYSA-N 452.353 2.373 30 10 JEEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1690632730 NSZSNLLVUZAGGE-IBGZPJMESA-N 486.642 2.058 30 10 JEEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1690644471 NIWAWCALWXLOFB-NHCUHLMSSA-N 489.665 2.377 30 10 JEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCCN(c2ncccc2F)CC1 1690674188 RTZBXPDLLUMZMX-UHFFFAOYSA-N 470.578 2.187 30 10 JEEE CC(=O)N1CCC[C@@H](Cn2c(-c3cc(Br)cn3C)nnc2N2CCO[C@@H](C#N)C2)C1 1690804622 SLKUTAZWPCOMOL-WBVHZDCISA-N 476.379 2.033 30 10 JEEE COc1ccc(CCc2nnc(N3CCN(c4nccnc4C#N)C[C@@H]3C)n2C[C@H](C)N(C)C)cc1 1697407036 BULLSLGMQWAZCI-PMACEKPBSA-N 489.628 2.399 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc3c(c2)[C@@H](C)[C@H](C)O3)CC1 1705644509 SQJKSLUJTUKJHY-ROUUACIJSA-N 478.597 2.315 30 10 JEEE C#CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@@H](COC)C1 1705656306 XZTARTGYBCZBKX-OAHLLOKOSA-N 454.394 2.264 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CCN2[C@@H](C)CC[C@@H]2C)CC1 1705898075 ACLOBODEQOUMQQ-OALUTQOASA-N 487.052 2.291 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1705908951 YBSZAEUWMWTMJM-IBGZPJMESA-N 483.548 2.017 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@H](C)N1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1722362302 SNAGKBVNUUVDFH-SESVDKBCSA-N 470.643 2.396 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1CC(C)(C)N1CCC(OC)CC1)[C@H]1CCS(=O)(=O)C1 1722366778 SMCTWRUDNOULGX-MOPGFXCFSA-N 465.664 2.308 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@]2(C)CCCO2)CC1 1722443331 GSQPRHCGRITXBO-RUZDIDTESA-N 467.570 2.497 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CC(C)(C)N2C[C@@H](C)C[C@@H](C)C2)CC1 1722446125 NYSJLWAVXVWNCI-BGYRXZFFSA-N 480.661 2.401 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2CCNC(=O)C(C)(C)C)CC1 1722450659 OSMGORUVNKTOAE-UHFFFAOYSA-N 480.613 2.294 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1722483931 SEIBROGMHAIGLA-OWCLPIDISA-N 456.385 2.058 30 10 JEEE C=CCCOCCn1c(-c2cccc(C)n2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1722625179 OXBJHTFQUVPALQ-OAQYLSRUSA-N 467.618 2.374 30 10 JEEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)NCc2ccc(F)cc2)CC1 1722685392 GNXDTGZEZVCRJC-SFHVURJKSA-N 461.563 2.038 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(Cc2csc(C)n2)CC1 1722693232 HMUDGEXQTVZIJW-UHFFFAOYSA-N 467.599 2.343 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 1722694454 WFZHKUYHJLMLOL-UHFFFAOYSA-N 473.537 2.419 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(Cl)cc2)nnc1N1CCn2nc(C)nc2C1 1722731258 IKRIUFYEOLCPAA-UHFFFAOYSA-N 477.978 2.031 30 10 JEEE CN(C)C(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2cccs2)CC1 1729313736 DEYCYVVWFZDPOR-UHFFFAOYSA-N 479.610 2.243 30 10 JEEE COc1cc(OC)cc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@H]2CCCCS2(=O)=O)c1 1730016197 FRWGTXPRXNJKEZ-WIYYLYMNSA-N 463.535 2.372 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(Cl)ccc1OC(F)F 1740630241 GTQHINQTPXZYRN-CYBMUJFWSA-N 471.917 2.264 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2F)n1CCNS(=O)(=O)Cc1ccon1 1740648623 NDZZSQZWQUMWIT-UHFFFAOYSA-N 490.948 2.308 30 10 JEEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1C[C@@]1(N(C)C)CCSC1 1740659138 UWJLTEGGRTWEEH-QFIPXVFZSA-N 456.641 2.170 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2Cc2cccn(CC)c2=O)CC1 1740699781 SWHBTKOMXNLUNG-UHFFFAOYSA-N 460.582 2.459 30 10 JEEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(O)(c2c(F)cccc2F)CC1 1740777682 XTYJXKIEVHCWQX-CQSZACIVSA-N 455.531 2.231 30 10 JEEE C=CCN(C)c1nnc(-c2ccc(F)cc2Br)n1CCC[C@@H]1NC(=O)NC1=O 1740895269 WSDGUWJUSYTYEI-AWEZNQCLSA-N 451.300 2.457 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 1740956431 LMWSVJMEUKZMLX-UHFFFAOYSA-N 452.490 2.137 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccn3C)n2Cc2cccc(S(=O)(=O)NC)c2)C1 1740976217 HSGPEASNLPTFND-SFHVURJKSA-N 456.572 2.021 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1740994067 LZXKWNMOQAGFKM-QZTJIDSGSA-N 464.563 2.460 30 10 JEEE CC(=O)N1CC[C@@H](CN(C)c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(C#N)o2)C1 1741031637 JEWKUHZDNWPXRD-INIZCTEOSA-N 467.555 2.087 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@](C)(O)CCC(C)C)[C@H]1CCS(=O)(=O)C1 1748811050 AQZTWNAPVWHJPJ-CVDCTZTESA-N 459.616 2.462 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCc1ccc(OC)cc1OC)[C@H]1CCS(=O)(=O)C1 1748817288 HWOGHENJVIWLAH-PMACEKPBSA-N 488.610 2.059 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CCN(C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1748819347 NMDUEYWEOIBMET-QGZVFWFLSA-N 465.570 2.114 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CCN1CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1748825347 XUWBJSDZQNBQBU-ICSRJNTNSA-N 475.590 2.107 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CCc1cc(Br)ccc1F 1748959918 AOUPDWTZCASINF-QGZVFWFLSA-N 464.339 2.460 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc(COC)cc2)CC1 1748979250 XVWBJJFBGMESGP-VWLOTQADSA-N 453.587 2.269 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)N2CCC(OC)CC2)CC1 1748999280 NVPTUARKTICDAI-UHFFFAOYSA-N 491.640 2.373 30 10 JEEE C=C(C)COCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCN(CC(=O)N(C)C)CC1 1749223085 PIAWUWXYAMSUSD-UHFFFAOYSA-N 451.575 2.229 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C)no1 1749584805 RMQGHXAQNKAWJK-OAQYLSRUSA-N 486.598 2.191 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(N2CCCC2=O)CC1 1749741261 VPUIVKWIJMUEDP-TZIWHRDSSA-N 493.674 2.389 30 10 JEEE C=CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1749761242 YUPNXAJYBSLGQS-NRFANRHFSA-N 495.609 2.415 30 10 JEEE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3cccc(Cl)c3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1749785675 FLAURCPEEXGAOQ-IJCFDHGGSA-N 497.987 2.430 30 10 JEEE N#C[C@]1(F)CCN(c2nnc(COc3ccccc3F)n2CC2CCS(=O)(=O)CC2)C1 1750378284 GRUBFTPQIBFCSR-HXUWFJFHSA-N 451.499 2.263 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCS(=O)(=O)Cc1ccccc1 1760114030 FBDKVNFUONSPOK-MRXNPFEDSA-N 455.540 2.079 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(C)oc2ccccc12 1760117448 PBUFCPMNQBNBDT-YWZLYKJASA-N 457.556 2.172 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2F)n1CCCN1CCC[C@H]1C(=O)N(C)C 1760123375 DUMJCHNSIOSICB-QUCCMNQESA-N 456.566 2.397 30 10 JEEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H](c1ccc(C)cc1)N1CCOCC1 1760165082 ISJRVJPEMZDSLZ-RCZVLFRGSA-N 453.587 2.382 30 10 JEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CC[C@@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1760180368 CSWRTMFNQSFFSP-RBUKOAKNSA-N 464.975 2.031 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1cccc(CN2CCO[C@H](C)C2)c1)[C@H]1CCS(=O)(=O)C1 1760183536 QWWURJRWJYVPBQ-OFNKIYASSA-N 499.681 2.471 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1CCN(C)Cc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1760190637 SRORVPSQLWDLIY-OAQYLSRUSA-N 459.591 2.128 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCO[C@H]1C(=C)C 1760247729 MSGRAYOTHSGREV-GCJKJVERSA-N 462.554 2.259 30 10 JEEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CCC(=O)N2CCCCCC2)CC1 1760263129 OTAOOWRLASVYSJ-UHFFFAOYSA-N 455.632 2.182 30 10 JEEE C#CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC[C@@H](NC(C)=O)C1 1760279772 JSFQCTQOLRQGTO-GOSISDBHSA-N 479.610 2.146 30 10 JEEE C#CCSCCn1c(N2CC(=O)N(C)C[C@H]2C)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1760286885 YGLBIQYESPLGHC-ZACQAIPSSA-N 462.620 2.082 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@]2(CCCOC2)C1 1760412522 MUWPGNSHEBPJFZ-AVRDEDQJSA-N 467.636 2.220 30 10 JEEE C=CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(C(=O)NCCOC)CC1 1760437367 ADCUNNAYDDAWJK-UHFFFAOYSA-N 479.585 2.137 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCc2cc(Br)ccc2C1 1760514281 AGDYSAZPZIXVHC-UHFFFAOYSA-N 473.375 2.142 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](Oc2ccccn2)C1 1760553397 TUAMCVGYOPOMJW-HXUWFJFHSA-N 464.551 2.470 30 10 JEEE CCN(CC)C[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)c2cc[nH]n2)C1 1766666768 FXLYNKINICDFOZ-LJQANCHMSA-N 461.574 2.138 30 10 JEEE CCNC(=O)C1(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCC(C#N)CC2)CCC1 1767192809 CUFYLDIDCYKULC-UHFFFAOYSA-N 470.599 2.395 30 10 JEEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1CC1(C(=O)N(C)C)CCCC1 1767571202 CVOBHJCGUIDUTI-KRWDZBQOSA-N 451.575 2.284 30 10 JEEE N#CC1CCN(c2nnc(C(=O)N3CCCC3)n2CCNc2nccc(C(F)(F)F)n2)CC1 1771533825 AILGEZJIVAYEHO-UHFFFAOYSA-N 463.468 2.175 30 10 JEEE CCS(=O)(=O)N1CC(CC#N)(n2cc(-c3ncnc4c3ccn4[C@@H](C)C(C)(C)C(=O)O)cn2)C1 1857522726 FKVCXFAKSRHKAL-HNNXBMFYSA-N 485.570 2.241 30 10 JEEE O=C(COCC1[C@@H]2CCC#CCC[C@@H]12)NCCOCCNC(=O)COCC1[C@@H]2CCC#CCC[C@@H]12 1857792304 ZVQLLJYKJNISBS-MOUTVQLLSA-N 484.637 2.148 30 10 JEEE C=CCOc1ccccc1[C@@H]1C(C(=O)NCCCN2CCCC2=O)=C(N)Oc2c1c(CC)nn2C 1864323386 KHKGRKBRZBTBNF-NRFANRHFSA-N 479.581 2.371 30 10 JEEE CC(=O)c1cccc(NC(=O)[C@@H](CO)NC(=O)C2CCN([C@@H](C#N)c3cccs3)CC2)c1 1866868005 RKHWIMPKVBHTJP-UXHICEINSA-N 454.552 2.343 30 10 JEEE C=CCN(CC=C)c1nc(NC(=O)c2ccc(F)c(F)c2F)n([C@H]2CCS(=O)(=O)C2)n1 1870004622 GGPPLNGGWJPDGG-LBPRGKRZSA-N 455.462 2.486 30 10 JEEE C=CCN(CC=C)c1nc(NC(=O)/C=C/c2cc(OC)ccc2OC)n([C@@H]2CCS(=O)(=O)C2)n1 1870004726 IZCPITRCBSXSIW-RUJXFNLJSA-N 487.582 2.485 30 10 JEEE COc1cc(OC)cc(C(=O)Nc2c(C#N)nnn2Cc2cc([N+](=O)[O-])cc3c2OCOC3)c1 1870105243 IDKYECRLYSBYSQ-UHFFFAOYSA-N 466.410 2.242 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCCC(=O)OCC)cn1Cc1ccc(S(N)(=O)=O)cc1 1870452024 BCSNDCHBCZJXDD-UHFFFAOYSA-N 489.594 2.050 30 10 JEEE C=CCn1c(C(=O)N2CCC(N(C)C)CC2)cc2c(N3CCN(C(=O)OCC)CC3)ncnc21 1873562441 CUKHPIXABXHLNZ-UHFFFAOYSA-N 469.590 2.062 30 10 JEEE C=C(CNS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O)B1OC(C)(C)C(C)(C)O1 1991971554 SUPPLBOCCCXYBX-OAQYLSRUSA-N 466.340 2.118 30 10 JEEE CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2185172968 WQVDMMCMBWXGFM-OALUTQOASA-N 460.380 2.484 30 10 JEEE CC1(C)OB(c2cc(C(=O)N[C@H]3CCOC[C@H]3NC(=O)OCc3ccccc3)co2)OC1(C)C 2255543030 BETAGRAOTBEJHT-RBUKOAKNSA-N 470.331 2.393 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CC[S@](=O)(=NC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2255644623 KNPNFLFKAOMXCE-MDQXEJNYSA-N 471.410 2.348 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@]2(C)CCN(C(=O)OCc3ccccc3)C2)n1 2255819525 BTUPCJFWXFRDAH-XMMPIXPASA-N 468.363 2.250 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](NC(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2255879268 MMFMTFABFYAFHH-LSDHHAIUSA-N 452.382 2.147 30 10 JEEE CN(Cc1sccc1B1OC(C)(C)C(C)(C)O1)C(=O)CN(CCO)C(=O)OC(C)(C)C 2256623405 DRUVJDLFMQYKCI-UHFFFAOYSA-N 454.398 2.235 30 10 JEEE CC[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2256668719 FFGDCHAYQZANSU-STQMWFEESA-N 452.386 2.233 30 10 JEEE Cc1c(C(=O)NC(C)(C)CCNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267144123 RMYOEMLWZJTUCS-UHFFFAOYSA-N 450.389 2.451 30 10 JEEE CC(C)(C)OC(=O)N=S1(=O)CC2(CN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)sn3)C2)C1 2267159820 LZAAHTWSJZSNJC-UHFFFAOYSA-N 483.421 2.301 30 10 JEEE C=C(CS(=O)(=O)N1CC[C@H]2OCCN(C(=O)OC(C)(C)C)[C@@H]2C1)B1OC(C)(C)C(C)(C)O1 2267463817 KQBAVVJQXOBQNL-IAGOWNOFSA-N 472.413 2.214 30 10 JEEE Cc1nc(C(=O)Nc2nnc(CNC(=O)OC(C)(C)C)o2)c(B2OC(C)(C)C(C)(C)O2)s1 2267478762 CASWAZYCXNQREX-UHFFFAOYSA-N 465.341 2.411 30 10 JEEE CC(C)(C)OC(=O)NCCOCCNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2267728580 XCRIVKBZXSYCAV-UHFFFAOYSA-N 490.453 2.008 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)[C@H](C)NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(O)cc1O 2267805282 HQEVOAQSFBXFHC-STQMWFEESA-N 450.341 2.429 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@@]1(CO)C(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)cs1 2268637331 BSCVPCBTHPJUSV-JOCHJYFZSA-N 466.409 2.426 30 10 JEEE CC(C)(C)OC(=O)NCc1ocnc1C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2268656193 UFNYJGNQPLWXIF-UHFFFAOYSA-N 464.353 2.385 30 10 JEEE CC(C)(C)OC(=O)N1CCC(F)(F)C[C@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2268662597 BLMXICXACFJQRS-NSHDSACASA-N 474.339 2.233 30 10 JEEE CN(CCNC(=O)OC(C)(C)C)CC(=O)N(C)Cc1ccc(B2OC(C)(C)C(C)(C)O2)s1 2268725436 WCPOVQPYGOWTLS-UHFFFAOYSA-N 467.441 2.462 30 10 JEEE N#Cc1cc(Br)ccc1NS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 2270531538 MSXLKTXNPBLERX-INIZCTEOSA-N 482.312 2.442 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2CCN([C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)C1 2281224301 XANFAEFGMURRKD-FAFRJYIDSA-N 476.618 2.447 30 10 JEEE CC[C@]1(NC(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)CCCN(C(=O)OC(C)(C)C)C1 2281954372 ATUPZXGKKPGKKS-QFIPXVFZSA-N 463.388 2.024 30 10 JEEE Cc1c(B2OC(C)(C)C(C)(C)O2)cccc1C(=O)NCCC1(O)CN(C(=O)OC(C)(C)C)C1 2282111418 SKOSBWBORLADKW-UHFFFAOYSA-N 460.380 2.396 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](OCCNC(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282190145 OLTAFBPZDFZGGS-SFHVURJKSA-N 461.368 2.137 30 10 JEEE CC1(C)OB(c2cc(C(=O)NC[C@@H]3CNCCN3Cc3ccccc3)ccc2F)OC1(C)C 2282411791 KOPPQKYMKVSYLS-FQEVSTJZSA-N 453.367 2.329 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@]2(NS(=O)(=O)Cc2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282501832 CGICUDVOERDKQG-GAJHUEQPSA-N 478.420 2.415 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)[C@@H]2CC[C@@H]21 2282696786 ILBSUDWMYMRSKA-XIRDDKMYSA-N 458.368 2.294 30 10 JEEE CC(C)[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2282704058 FSNGITRUBMCMMI-KRWDZBQOSA-N 460.384 2.493 30 10 JEEE CC(C)[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2283068652 KPSBTIIVUDVWOI-INIZCTEOSA-N 460.384 2.493 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](C(=O)NCCc1ccccc1B1OC(C)(C)C(C)(C)O1)C1COC1 2284034719 DTZXBNHGWOKHNH-LJQANCHMSA-N 460.380 2.184 30 10 JEEE CN(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2284068281 BLOPIIHAWMUNPA-LJQANCHMSA-N 461.412 2.399 30 10 JEEE CCn1c(N2CCOCC2)c(C=C2SC(=S)N(CCCOC)C2=O)c(C)c(C#N)c1=O 2314426208 QHTJYFJIYDZAIJ-UHFFFAOYSA-N 462.597 2.123 30 10 JEEE CCOc1ccc(C=CC(=O)[C@@H]2C[C@@H](NC(=O)CN3C(=O)c4ccccc4C3=O)CCN2)cc1 2328074864 SQDOYNVERGJHRM-AVRDEDQJSA-N 461.518 2.201 30 10 JEEE CO[C@H](CNC(=O)OC(C)(C)C)CNC(=O)c1cc(F)ccc1B1OC(C)(C)C(C)(C)O1 2339878685 NNGRUMQVMKLXNJ-HNNXBMFYSA-N 452.332 2.394 30 10 JEEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@@H]2CNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2359309871 DKPFBNABZWWGKO-OAGGEKHMSA-N 458.368 2.294 30 10 JEEE Cn1cc(C(=O)N[C@]2(C)CN(C(=O)OC(C)(C)C)CC2(F)F)c(B2OC(C)(C)C(C)(C)O2)n1 2361541911 ALOZGJXHAGGZDC-HXUWFJFHSA-N 470.326 2.094 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H]3C[C@@]3(CNC(=O)OC(C)(C)C)C2)n1C 2362481197 QWOIJTLTYPMAIF-IQMFZBJNSA-N 460.384 2.015 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@@H](CNC(=O)OC(C)(C)C)OC 2365425564 ZNTACXGKEJAJQA-INIZCTEOSA-N 464.368 2.264 30 10 JEEE COc1cc2c(cc1OC)CN(C(=O)CSc1nnc(N/N=C/c3ccc(C)cc3)n1N)CC2 20917400 LDDRZCCKTWRQJS-BRJLIKDPSA-N 481.582 2.441 30 10 JEEE CCc1ccc(C=c2sc(=C(C#N)C(=O)N[C@H](C)COC)n(Cc3ccccc3)c2=O)s1 518704574 SDTBIDOLXGRUDC-MRXNPFEDSA-N 467.616 2.236 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)[C@H](C)[S@@](=O)CC(=O)OCCOCCCC)cc21 586313514 LOCBJZCWZSNVOB-ZYSBOAIWSA-N 451.541 2.278 30 10 JEEE N#CCCN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccc(N2C[C@H](C(=O)O)CC2=O)cc1 609411541 BILFYEVZOFCDAT-OAHLLOKOSA-N 471.491 2.004 30 10 JEEE C#CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)O 757271491 HBMHZCKGOUCVFC-DHIUTWEWSA-N 472.501 2.452 30 10 JEEE C#CCN(CC(=O)O)C(=O)[C@H]1CO[C@@H](CNC(=O)OCC2c3ccccc3-c3ccccc32)C1 757489535 HZIOHLIAOSLCGD-QZTJIDSGSA-N 462.502 2.477 30 10 JEEE CCN(CC)C(=O)CSc1nnc(S[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)n1N 856435855 CWXDRPOOUGQJDB-LLVKDONJSA-N 479.657 2.494 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](Cn2ccccc2=O)c2ccccc2)s1 1139016462 WEGKJNDWUOYEJS-IBGZPJMESA-N 457.577 2.474 30 10 JEEE C=CCCC[C@@H](NC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(C(C)=O)cc1)C(=O)OC 1155468698 YGOLOVHTBFVWAY-WOJBJXKFSA-N 450.557 2.447 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(Cl)c(OCC)c(OC)c1 1286276769 YUOUHFMBDOEXTG-ZIAGYGMSSA-N 469.995 2.455 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](CC=C)c1ccccc1 1286294614 DYPVQYXDSOQRPO-JBACZVJFSA-N 457.600 2.429 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@](C)(O)c1cccs1)[C@@H]1CCS(=O)(=O)C1 1286383275 LYDNJYJAKOZXQF-AUSIDOKSSA-N 481.603 2.413 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H](CC(C)C)NC(=O)OCC)[C@H]1CCS(=O)(=O)C1 1286387926 WUQXHJGSNJTLNS-MOPGFXCFSA-N 490.630 2.071 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC(F)(F)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1286389669 OHPKMAKLCSWCIU-SFHVURJKSA-N 460.510 2.097 30 10 JEEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N(C)CC1COC(C)(C)OC1 1286510843 CCACLZWEEKLOHH-UHFFFAOYSA-N 463.629 2.471 30 10 JEEE C=C(C)Cn1c(N2CCC([C@H]3NC(=O)N(C)C3=O)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1286598490 MTXVWVINRSYKHU-FGTMMUONSA-N 487.605 2.392 30 10 JEEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1286693525 SDCQYOXXWLWWRK-MRXNPFEDSA-N 451.535 2.466 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)OCCOC)nnc1N1CCC[C@]2(C1)OCc1ccccc12 1286780200 MYJVKINWINYMEK-MHECFPHRSA-N 455.559 2.330 30 10 JEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN([C@@H](C)c2cccc(OC)c2)CC1 1286790702 OEMIJBOFKUWDRY-NRFANRHFSA-N 492.628 2.334 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1C[C@H](O)CC2(CCCC2)C1 1286791750 BNGDCEQEXJODPG-GOSISDBHSA-N 455.559 2.299 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2cccc(C(=O)NC)c2)C1 1286813797 CFCNVYCAWONLSH-ACRUOGEOSA-N 455.559 2.191 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCCc2ccccc2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1286823313 UJQBUGFOSVJTEQ-OALUTQOASA-N 460.556 2.168 30 10 JEEE C[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1)N(C)C 1288651021 CXDZGOXVRKNXJS-UWJYYQICSA-N 454.600 2.296 30 10 JEEE CC1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)CCS1 1289042403 DHSOZCJGDUAKQV-UHFFFAOYSA-N 476.628 2.096 30 10 JEEE CN(C)C(=O)COc1cccc(Cn2c([C@@H]3CCOC3)nnc2N2CCC[C@@](C)(C#N)C2)c1 1298016944 FYLOXNUNHJNZNB-DVECYGJZSA-N 452.559 2.427 30 10 JEEE C#CC[C@H](CO)NC(=O)[C@H](NC(=O)OC(C)(C)C)c1ccccc1I 1298689313 HXHDDAKBEARLMF-IUODEOHRSA-N 458.296 2.357 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCS(=O)(=O)CC)CC1 1300684262 YSOYIJKZRBORRP-KRWDZBQOSA-N 466.007 2.261 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccccc3Br)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1300693278 WFVBUGAMFJZQJE-QGZVFWFLSA-N 492.443 2.288 30 10 JEEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCc2ccc(Br)cc2)CC1 1300695469 CAWJMGGJRVFVNW-UHFFFAOYSA-N 454.376 2.439 30 10 JEEE C#CCSCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCO[C@H](CNC(C)=O)C1 1300740668 AKOOYKNUILUBQX-FUHWJXTLSA-N 461.563 2.265 30 10 JEEE C=C(C)Cn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1300929006 VGNKKFRMYTYTLM-SJLPKXTDSA-N 472.977 2.411 30 10 JEEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2cccc(Cl)c2)CC1 1301016803 BZAABXCNRGCIPZ-AWEZNQCLSA-N 487.413 2.257 30 10 JEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc2c(c1)OCO2 1301189353 VNQMDJDVPRADJJ-FQEVSTJZSA-N 477.587 2.332 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1301586973 QEFVKRDFCUNJII-UHFFFAOYSA-N 490.630 2.169 30 10 JEEE CC(C)[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C(N)=O)C1)N1CCCC1 1302528153 GJMXEAMZOZZFPA-CTNGQTDRSA-N 451.575 2.161 30 10 JEEE C#CCn1ccc(CN(CCOC)C(=O)NCc2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)n1 1311496627 OCPPAUMEVBEIBL-SFTDATJTSA-N 453.587 2.484 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2=O)C1 1312616869 PCQPWMWTPXVKGV-GGPKGHCWSA-N 450.580 2.221 30 10 JEEE CCOCC(C)(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@H](C#N)C1 1314284269 CEFFBKDFHIFVTO-LJQANCHMSA-N 454.579 2.244 30 10 JEEE COc1ccccc1SCc1nnc(N2CCO[C@H](C#N)C2)n1CCNC(=O)c1ccco1 1315664694 AAEWHSDNUMWLNJ-MRXNPFEDSA-N 468.539 2.331 30 10 JEEE C#CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1358903698 GWNUSUOQKLOGHS-FQEVSTJZSA-N 488.013 2.292 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCCN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1358959847 QVIRPUZAWIDPLJ-QFIPXVFZSA-N 466.611 2.319 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCN1CCOC[C@H]1C 1358991579 HBECWKSUPLQZDF-OAQYLSRUSA-N 487.608 2.420 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CCCN2C[C@@H](C)O[C@H](C)C2)CC1 1359045383 FKQAMLUNNMMDSZ-WOJBJXKFSA-N 458.651 2.332 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CC(=O)N(c2ccccc2)C1 1359272562 WPRRZDQBADDQOG-RTBURBONSA-N 455.584 2.412 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](C(N)=O)C1 1359311162 SCDVBKYUYCIUOW-ZJOUEHCJSA-N 455.559 2.317 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCOC[C@H]2OC)C1 1359324225 GLBJLEDWUPYAKQ-RCCFBDPRSA-N 461.588 2.102 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](C)[C@H](C)C1 1359328658 KSDLHEAZGWEIFA-HZPDHXFCSA-N 452.602 2.042 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCC(c3nnc4n3CCCC4)CC2)nnc1C(C)(C)C 1359335961 ZWELEAVHJROCCA-UHFFFAOYSA-N 461.636 2.488 30 10 JEEE C=CCSCCn1c(C2CCC2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1359342022 MYHFMZLMHIYFJK-UHFFFAOYSA-N 460.648 2.405 30 10 JEEE C[C@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1Cc1cccnc1OCC(F)(F)F 1359476307 BCMNLJYPVXDKHY-CQSZACIVSA-N 451.453 2.381 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC1(C(N)=O)CCOCC1 1507533019 PAOBCTLAHFXVLR-QGZVFWFLSA-N 474.606 2.133 30 10 JEEE C#CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N(C)CCN1CCOCC1 1507583792 WELBKYLPWCGYLO-UHFFFAOYSA-N 463.586 2.247 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@H](C)N(C)C)CC1 1507735461 AISCVUNUJIMMPZ-ZWKOTPCHSA-N 456.566 2.473 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H](C)OC)CC1 1507739055 LPYGIUVAZDLKPJ-ICSRJNTNSA-N 488.633 2.393 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1508072923 LLXIBKOGMLKDGI-SFHVURJKSA-N 483.598 2.041 30 10 JEEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC[C@@H](OC)C1 1508091646 WIQULOIXUPYHHL-GOSISDBHSA-N 462.595 2.310 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1508093094 SWZLMCYIJUNNNY-UHFFFAOYSA-N 493.568 2.163 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCSC(CC)(CC)C1 1508131798 QCUZGQCOEFXAOJ-UHFFFAOYSA-N 455.650 2.227 30 10 JEEE CN(Cc1ccccn1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1517146704 HVWGPLLOYQZAMG-LJQANCHMSA-N 481.582 2.042 30 10 JEEE CS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1519528230 IATAEGYCHOLBDH-UHFFFAOYSA-N 466.567 2.228 30 10 JEEE CSC1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(CCC#N)CC2CC2)CCOCC1 1519972196 BDGWWDLBLZMDAE-QGZVFWFLSA-N 453.634 2.222 30 10 JEEE C#CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1539116447 OCQZMJAONOBVRR-UHFFFAOYSA-N 490.612 2.388 30 10 JEEE C#CCCCn1c(N2CCC(C(=O)Nc3nncs3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1539139065 AICUWVOBEHYAPF-JOCHJYFZSA-N 473.603 2.439 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1COCCO1 1539384360 FPJYLMYOZJFAFT-LJQANCHMSA-N 450.474 2.120 30 10 JEEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 1539517619 PZEARBIHPXMSPU-GOSISDBHSA-N 472.590 2.048 30 10 JEEE C=C(C)COCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)CC(=O)N1CCOCC1 1539728282 FYCGUDFQJBOVAO-UHFFFAOYSA-N 465.558 2.223 30 10 JEEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1539752134 CWMRXWAUDRXHEO-UHFFFAOYSA-N 481.645 2.381 30 10 JEEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1539760273 ZYSYANODRAPYPI-ONTIZHBOSA-N 463.623 2.284 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)CN1CCOCC1 1540146533 GQELSEBYUANGJH-OALUTQOASA-N 479.672 2.403 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2ncc(Cl)cc2Cl)CC1 1540868455 GHFNVTGROLCOBA-UHFFFAOYSA-N 476.372 2.009 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN([C@@H](C)c2nc(C(C)C)no2)CC1 1540868739 PPRNXWWDLKHIDJ-KRWDZBQOSA-N 465.562 2.032 30 10 JEEE Cc1ccsc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(C#N)C1 1542110109 BQAWBXKPNWGMRD-OXJNMPFZSA-N 464.617 2.159 30 10 JEEE COCC(C)(C)CCCn1c(CN2CCCC2=O)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1555213825 FPZKVZOXNKDQNV-LJQANCHMSA-N 495.632 2.230 30 10 JEEE C=CCN1CC[C@H](N(C)C(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2N(C)C)C1=O 1562063625 ALNHMUKIGWTWIJ-IBGZPJMESA-N 451.593 2.034 30 10 JEEE COC(=O)CCNC(=O)[C@H]1CS[C@@H](C)N1C(=O)c1ccc(COc2ccc(C#N)cc2)o1 1570123205 BBILHICPDSKMJY-KBXCAEBGSA-N 457.508 2.313 30 10 JEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(=O)c2ccsc2)CC1 1587707169 XQRYHECNSLEVCD-KRWDZBQOSA-N 478.644 2.106 30 10 JEEE C#CCN(c1nnc(-c2cnn(-c3ccccc3)c2)n1CCN(C)[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1588049423 GISDYNRRWXAJBR-REWPJTCUSA-N 495.653 2.488 30 10 JEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1588060063 YSZHTKRTUDMWOJ-VQIMIIECSA-N 450.008 2.099 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@H](CC)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1588064785 PEUVGMYZIGXXHO-VQTJNVASSA-N 476.672 2.135 30 10 JEEE C#CCN(CCOC)c1nnc(Cc2cccnc2)n1C[C@@H]1C[C@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1588659649 MJEYLVSCACTUEP-FDFHNCONSA-N 496.612 2.374 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCN2CCSCC2)CC1 1588749840 AKDXGVRHKMBRKA-IBGZPJMESA-N 458.607 2.361 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@](C)(O)c2cccc(Cl)c2)CC1 1588968733 PLRPCAQUOYADRP-QHCPKHFHSA-N 459.978 2.342 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1589484494 UCSNIOMLVQSRNL-AABGKKOBSA-N 467.636 2.014 30 10 JEEE C[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1)N(C)Cc1ccccc1 1611583602 GYXLPJDYDFZCLK-SFGWALBWSA-N 460.579 2.143 30 10 JEEE C=CCn1c(SCC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)nnc1-c1ccccn1 1613608022 MMLMNMYCYMRHMN-UHFFFAOYSA-N 455.544 2.150 30 10 JEEE Cn1ccc(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCC(CCC(N)=O)CC2)n1 1618423697 BMRLPWKZEFSZOU-UHFFFAOYSA-N 462.558 2.187 30 10 JEEE C=C(C)CN(C)C(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 1640867842 HDJFAIUVVFQHAG-AWEZNQCLSA-N 455.886 2.306 30 10 JEEE C#Cc1cccc(NC(=O)NC(=O)CN2CCNC(=O)[C@@H]2c2ccccc2Br)c1 1645178510 PEOBFBJHDVSRGK-IBGZPJMESA-N 455.312 2.252 30 10 JEEE CCOC(=O)[C@H]1Cc2cc(S(=O)(=O)N(CCN(C)C)Cc3ccc(C#N)cc3)ccc2O1 1653632896 DPLHNEHFNOEMMX-JOCHJYFZSA-N 457.552 2.177 30 10 JEEE N#Cc1ccccc1N1CCN(CC(=O)NCC(=O)Nc2ccccc2Br)CC1 1657150113 HZLQWWFAHXNFCB-UHFFFAOYSA-N 456.344 2.198 30 10 JEEE C=C(Cl)C[C@H](NS(=O)(=O)c1cc(Cl)cc(C(=O)N(C)C)c1OC)C(=O)OCC 1670886397 OEKHAGOAJNLJBN-ZDUSSCGKSA-N 453.344 2.403 30 10 JEEE CCOC(=O)c1c(NC(=O)NCC(=O)N2CCN(c3ccccc3)CC2)c(C#N)cn1CC 1671036671 GNCQFDQSZMUPKH-UHFFFAOYSA-N 452.515 2.027 30 10 JEEE C#C[C@@H](NC(=O)NC[C@H](O)CS(=O)(=O)c1cccs1)c1ccc(Br)cc1 1683508358 QWVLNNCXZMVIFU-LSDHHAIUSA-N 457.371 2.319 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H](c1ccccc1)N1CCOCC1 1689832008 VMYJBCXAIPWIIX-UWDQQESISA-N 453.587 2.462 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1689980469 SMQFXJOIRRASPB-YVWKXTFCSA-N 462.547 2.363 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1Cc1ccc(OC)nc1)[C@H]1CCS(=O)(=O)C1 1689992332 JKKLFICLKJQGQV-NRFANRHFSA-N 465.579 2.256 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CCCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1689997256 YXCSIWDRIRPSMV-OAQYLSRUSA-N 471.627 2.278 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2CCc2ccccn2)CC1 1690113472 KOQVHMZCQHNUBG-UHFFFAOYSA-N 454.376 2.439 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccnc2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1690243691 OESZFWMXDRCBCH-ICSRJNTNSA-N 460.604 2.229 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1690249734 AAKZQTJDVQVROT-NFBKMPQASA-N 489.642 2.135 30 10 JEEE C=CCCOCCn1c([C@H]2CCCOC2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1690508852 QUAQHUOPFDIOMO-SFHVURJKSA-N 458.563 2.460 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H]2CCOC2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1690683157 CMJNZLICBBBHBJ-IBGZPJMESA-N 475.615 2.303 30 10 JEEE CC(=O)NC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2C[C@H](C)O[C@H](C)C2)CCO1 1690965468 DGWYRBOTEHSQLL-OXHIVJRSSA-N 482.585 2.274 30 10 JEEE CC(C)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)CC2CC2)[C@H](C)C1=O 1692423444 BCZHAVHTIJRETC-GOSISDBHSA-N 484.626 2.335 30 10 JEEE COc1ccccc1[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](C#N)C1)OC(C)C 1697545919 HANQHMXHIPLSHP-FXAWDEMLSA-N 456.547 2.320 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CCCN(C)C(C)C)c1 1705503897 HVUCKNNGLRZDQR-UHFFFAOYSA-N 465.602 2.301 30 10 JEEE C#CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1705529149 FSCBMDAZLQHLOM-DENIHFKCSA-N 480.613 2.365 30 10 JEEE C#CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1705533656 YWAWXQFGHKVKOE-RTBURBONSA-N 499.616 2.279 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@](C)(O)c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1705566933 RWXVOPRVCWUGQM-HYBUGGRVSA-N 483.569 2.322 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CCc1nccs1)[C@@H]1CCS(=O)(=O)C1 1705570545 OKUFLIVZYDVPLX-OAHLLOKOSA-N 477.562 2.473 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(C)CCOCC1 1705576397 KHOAOVGDXJQEEP-UHFFFAOYSA-N 455.584 2.085 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccsc1 1705619755 ALHZGNDCUVTJBG-HXUWFJFHSA-N 489.598 2.500 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CC[C@](C)(CC)O1 1705624243 VCXDZIZDZGLPHI-REWPJTCUSA-N 450.547 2.355 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCN2CCOC[C@@H]2C)CC1 1705633751 XPOGJZXKMDKXOP-PMACEKPBSA-N 456.566 2.033 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2Cc2ccc(N3CCO[C@@H](C)C3)nc2)CC1 1705644631 XUEREPUUDRNQHC-IBGZPJMESA-N 465.602 2.036 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccnc(OC(F)F)c2)CC1 1705648295 PYXZBLGSSQMBJD-SFHVURJKSA-N 474.512 2.183 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(C(=O)NC)CC1 1705697433 VEVCFHFHZKCMSY-FPOVZHCZSA-N 487.626 2.292 30 10 JEEE C=CC[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OC)CC1)c1ccccc1 1705797286 TVAFYGNZLXLLRG-WOJBJXKFSA-N 473.599 2.429 30 10 JEEE C=CCn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1705888260 NMYFNNWNQKSEBK-AWEZNQCLSA-N 470.393 2.420 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1csc(C)n1 1722332926 PZHNOCYOEBMMCW-QZTJIDSGSA-N 464.617 2.131 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCCOC(F)F)[C@@H]1CCS(=O)(=O)C1 1722367133 UVXBPVRXQBCHOO-QGZVFWFLSA-N 456.490 2.264 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1C[C@@H]1CCC[C@]2(CCOC2)O1)[C@@H]1CCS(=O)(=O)C1 1722367345 VYCXUYPSXSCAAI-NXWNEQKCSA-N 450.605 2.147 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@@](C)(OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1722370811 QQBFOZCYRJLCBE-WZONZLPQSA-N 476.574 2.438 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCN(CC)C1CC1 1722382508 AJYLCKBWACVHBV-HXUWFJFHSA-N 456.591 2.144 30 10 JEEE C=C(Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1)c1ccccc1 1722540092 AVIITPNMQGGEBW-GOSISDBHSA-N 455.588 2.158 30 10 JEEE C=CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCn2nc(C)nc2C1 1722616421 SQOVEXGSZHLESA-KRWDZBQOSA-N 458.567 2.473 30 10 JEEE C=CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1722684651 LAKBVFHYFMLFNO-UHFFFAOYSA-N 454.575 2.283 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1722727171 MJMOYFZOFLRWBD-MRXNPFEDSA-N 486.520 2.492 30 10 JEEE Cc1ccc(S(=O)(=O)NCCn2c(Cc3ccccc3F)nnc2N2CCO[C@H](C#N)C2)s1 1724450446 HJWVSEKADGJSGF-QGZVFWFLSA-N 490.586 2.085 30 10 JEEE C[C@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCN(CC(F)(F)F)C1 1726447595 COUJUKINYUPAGV-WMZOPIPTSA-N 491.518 2.280 30 10 JEEE CNC(=O)[C@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)N(C)C2CC2)C1 1729647707 GHUFKVDBFFLPSS-MZNJEOGPSA-N 451.575 2.174 30 10 JEEE C#CCN(c1nnc(-c2ccc3ccccc3n2)n1C[C@@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1740619583 KLJADFDUQFKUNB-MJGOQNOKSA-N 452.584 2.070 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCCOC(C)C)CC1 1740696401 SXDNFLOXGLMIQR-HXUWFJFHSA-N 476.622 2.157 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H]2CCCN(C(C)C)C2)CC1 1740700944 OIBNKNBZBBXYEJ-HXUWFJFHSA-N 485.677 2.283 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CCNC(=O)C2CC2)CC1 1740703302 MXSIAGNKBPGUNO-QFIPXVFZSA-N 462.598 2.312 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1740750171 NHOVSBSLRNEERK-OTWHNJEPSA-N 460.579 2.210 30 10 JEEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1740792674 KVCNFUZQRLLNHG-MRXNPFEDSA-N 460.535 2.313 30 10 JEEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCOC[C@H]2CCOC2)[C@@H](C)C1 1741055136 FGEFKFGQUJWZAR-SIKLNZKXSA-N 482.585 2.229 30 10 JEEE CCc1nn(C)c(CC)c1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1744508604 HIEYVKRIPAALHE-SFHVURJKSA-N 497.625 2.259 30 10 JEEE C#CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1748712512 KAIQMPUTOTULBZ-KRWDZBQOSA-N 473.603 2.319 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCNC(=O)c1occc1C 1748886603 IWCGWWADWBMCBK-UHFFFAOYSA-N 497.559 2.376 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N(C)C1CC1 1748945743 YUQQNPQVMMSJAJ-MJGOQNOKSA-N 459.591 2.442 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1CCCN1CCCCC1=O 1748964039 FFAHKSFGDBZBQV-OAQYLSRUSA-N 453.543 2.279 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@H]2CCN(CCC)C2)CC1 1748999300 OVGAQPDEWZLLLU-NRFANRHFSA-N 452.603 2.353 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CCC(C)(C)O)CC1 1749006041 GPVBIGVZZNVLBC-UHFFFAOYSA-N 469.586 2.479 30 10 JEEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1749039905 FLGTZHSVNPBBQD-CTNGQTDRSA-N 455.628 2.401 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1CC 1749067657 VVJHNAKAUAOQTM-NZQKXSOJSA-N 457.600 2.214 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)COC)CC1 1749122660 ZDGSMXUFWKKFQK-IRLDBZIGSA-N 450.543 2.093 30 10 JEEE C=C(C)COCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(CC(=O)N(C)C)CC1 1749222588 KHMISJWCMQWBMR-UHFFFAOYSA-N 465.602 2.240 30 10 JEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cccnc1-n1cccn1 1760174350 FWBJKTJVDKLFBZ-IBGZPJMESA-N 478.557 2.285 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@]2(OCC)CCOC2)n1CCc1n[nH]c(C)n1 1760240586 VPBXVLZPSGFISL-QHCPKHFHSA-N 453.522 2.378 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(F)cc2F)CC1 1760261266 NFAPGHZLJNIJPT-UHFFFAOYSA-N 456.522 2.351 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2Cc2cnccc2OC)CC1 1760271045 JULBCLWMKKKOCD-UHFFFAOYSA-N 478.528 2.414 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2Cc2c(CC)nn(C)c2OC)CC1 1760272047 WZIWSOMIKKIJGF-UHFFFAOYSA-N 467.618 2.329 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OCC)n2C[C@@]2(C)COCCO2)CC1 1760273594 ZLGJBCWCEASWLE-SANMLTNESA-N 497.596 2.027 30 10 JEEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)CCc2ccc(OC)cc2)CC1 1760282002 UFWUWKLWSCOWBT-OAQYLSRUSA-N 483.638 2.438 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccccc1OCC 1760295691 UWTOYBRVLYPPIE-ZJSXRUAMSA-N 487.626 2.245 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1760552326 KIJDNWZKXNKMND-UHFFFAOYSA-N 472.615 2.170 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N(C)CC(=O)Nc1cc(F)cc(F)c1 1760552655 WIDQZWBGEGZCAU-UHFFFAOYSA-N 476.509 2.294 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2c[nH]c3ccccc23)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1760553521 DUGLYNZVNHMSAH-CVEARBPZSA-N 479.628 2.285 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCOC(C)(C)[C@@H]1C 1760554596 HXWGYOXHFXZCDJ-LPHOPBHVSA-N 462.572 2.395 30 10 JEEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1CCNc1nccc(C(F)(F)F)n1 1764992146 DBFJRFUZZZDJIR-MRXNPFEDSA-N 485.474 2.452 30 10 JEEE CCOCc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CCCN1CCCCC1=O 1767966668 GONVMGPVFMFWQY-UHFFFAOYSA-N 465.602 2.411 30 10 JEEE COc1ccccc1Cc1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@H]1CCCN1S(C)(=O)=O 1768920897 AQCUJPUOAZGBCW-AUSIDOKSSA-N 472.615 2.432 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 1772660552 QFWFPHMJDIJFHT-UHFFFAOYSA-N 471.543 2.492 30 10 JEEE C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@](O)(COP(=O)(O)O)C1=O 1848440190 FBLFYLWWJUILAQ-CXSFZGCWSA-N 472.446 2.013 30 10 JEEE in-vitro CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(NS(=O)(=O)c3ccccc3C#N)cn2)cc1 1858293337 XQNZEEARATVZSF-UHFFFAOYSA-N 485.547 2.257 30 10 JEEE CN1CCC[C@H]1C(=O)N1CCN(c2ccc(C(=O)Nc3ccccc3C#N)cc2[N+](=O)[O-])CC1 1860901919 NDJKGUBSGCHWET-NRFANRHFSA-N 462.510 2.462 30 10 JEEE O=C(C1=C(O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccccc1[N+](=O)[O-])c1cccc(O)c1 1862595069 YRVRJRXQBAHYAX-FQEVSTJZSA-N 453.451 2.211 30 10 JEEE C=CCn1cc(OCC(=O)OCCOCC)c(=O)cc1CNc1ccc(N2CCN(C)CC2)cc1 1871120617 LPQCPOPYIJTSPX-UHFFFAOYSA-N 484.597 2.357 30 10 JEEE C=CCNC(=O)Cc1nonc1OCC(=O)Nc1sc2c(c1C(=O)OCC)CC[C@H](C)C2 1872649079 JBTPFYNLEVTFIG-LBPRGKRZSA-N 462.528 2.295 30 10 JEEE CC(C)(C)OC(=O)N1CCN(c2cc(CN3CCNCC3)cc(B3OC(C)(C)C(C)(C)O3)c2)CC1 1887521773 SJWDVWKOERCYJT-UHFFFAOYSA-N 486.466 2.448 30 10 JEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CC(=O)N2CCC[C@H](B3OC(C)(C)C(C)(C)O3)C2)C1 2180986664 GBHGMDJCPUCWOT-IRXDYDNUSA-N 486.440 2.495 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CC(C(=O)NCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)=C[C@@H]1O 2188035101 YWFDLTKTLWDEHN-OALUTQOASA-N 458.364 2.186 30 10 JEEE 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 2223101096 YMGOCOYIDLYOCQ-WKULXVSPSA-N 453.580 2.436 30 10 JEEE C=C(CS(=O)(=O)N[C@@H]1CCOC[C@@H]1NC(=O)OCc1ccccc1)B1OC(C)(C)C(C)(C)O1 2247902453 ABRRTVKMLRDUNC-MOPGFXCFSA-N 480.392 2.177 30 10 JEEE CN(C(=O)OCc1ccccc1)C1CN(C(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)C1 2247905932 KZZFXGHXXUJJNQ-UHFFFAOYSA-N 451.332 2.474 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(C)C[C@@H](O)CNC(=O)OC(C)(C)C)s1 2255857504 JAUZSSOBMLMQCO-AWEZNQCLSA-N 454.398 2.313 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H]1C[C@H](F)CN(C(=O)OC(C)(C)C)C1 2267217885 NGCFJZWRMHEADN-HOTGVXAUSA-N 451.348 2.402 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@H](NS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267376003 PMADTHDVKGDCQE-INIZCTEOSA-N 467.397 2.059 30 10 JEEE Cn1nc(C(=O)N[C@H]2CCON(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2267500212 FKBHQSUKETVYLO-LBPRGKRZSA-N 470.763 2.044 30 10 JEEE CC(C)(C)OC(=O)N1CCN(c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)[C@](C)(CO)C1 2269008691 CUDOTEIYZHANHL-QFIPXVFZSA-N 451.348 2.328 30 10 JEEE C[C@@H](OCc1ccccc1)[C@H](NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2269034159 AYNJNBYIVGECBG-PBHICJAKSA-N 481.401 2.384 30 10 JEEE CCC[C@]1(NC(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)CCN(C(=O)OC(C)(C)C)C1 2281955113 GXWQYCJFGRBXJY-QFIPXVFZSA-N 463.388 2.024 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H]2OCCN(C(=O)c3sncc3B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2282055803 JJQYMLGRMVNHTO-HZPDHXFCSA-N 479.408 2.293 30 10 JEEE Cn1ncc(C(=O)NC2([C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)c1B1OC(C)(C)C(C)(C)O1 2282058238 QWIYOFMNOKEGDH-OAHLLOKOSA-N 460.384 2.239 30 10 JEEE Cn1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2282058874 ASWLETXLOLKZRM-MUJYYYPQSA-N 460.384 2.380 30 10 JEEE CCO[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2282179729 OFYBPNNLMIFFTK-KURKYZTESA-N 461.368 2.181 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NN1CCN(C(=O)OC(C)(C)C)CC1 2282312514 XMYFNIQTLWJXEY-UHFFFAOYSA-N 481.424 2.040 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@H](NC(=O)c2ccc(F)cc2B2OC(C)(C)C(C)(C)O2)C1 2282405873 CDCUKFFYHCMLCJ-QZTJIDSGSA-N 464.343 2.225 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccco1 2282532863 DDTVDQBTVHZIGW-HNNXBMFYSA-N 460.340 2.308 30 10 JEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CCC(CO)(NC(=O)OC(C)(C)C)CC1 2282573750 FJSLBZBYMWICPS-UHFFFAOYSA-N 464.368 2.379 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@H]2[C@H]1[C@@H]2NS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282830208 QKFLCXUJMFSUPA-KURKYZTESA-N 479.408 2.057 30 10 JEEE CC1(C)OB(c2csc(S(=O)(=O)N3C[C@H]4OCCN(Cc5ccccc5)[C@@H]4C3)c2)OC1(C)C 2282847633 BLOGFPLJGSNYMM-WOJBJXKFSA-N 490.456 2.321 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H]2CC[C@H]1N2C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2283066979 CZRMTJDKIZIEON-ARFHVFGLSA-N 458.368 2.294 30 10 JEEE CC(C)(C)OC(=O)N1[C@H]2CCC[C@H]1CN(C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)C2 2283072705 SNJVAQGAPAQUQW-HOTGVXAUSA-N 458.368 2.390 30 10 JEEE CC(C)(C)OC(=O)N1CC(O)(C(F)(F)C(=O)NCc2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2283945877 GYJLRWAFJNGLKQ-UHFFFAOYSA-N 488.362 2.281 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1NC(=O)[C@H]1C[C@H](O)CN1C(=O)OC(C)(C)C 2283951593 XWFUIXJROKHIEN-DOTOQJQBSA-N 462.352 2.303 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2CCO[C@]2(C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)C1 2283959914 RMBZXXYUPAJNIY-JLCFBVMHSA-N 479.408 2.085 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)OC(C)(C)C1 2283978251 ZZNRQITZIGYIKP-CQSZACIVSA-N 481.424 2.473 30 10 JEEE CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)c1occc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2289796352 MEADTXZRJMXDGN-HNNXBMFYSA-N 466.340 2.457 30 10 JEEE CN(C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)[C@@H]1CN(C(=O)OC(C)(C)C)CC1(C)C 2289939734 OWIMHALBDAMOFI-MRXNPFEDSA-N 460.384 2.493 30 10 JEEE COC(=O)CSc1nnc([C@@H]2CC(=O)N(Cc3ccccc3)C2)n1N=Cc1ccccn1 2325921390 SRRWYSMISOXPST-QGZVFWFLSA-N 450.524 2.337 30 10 JEEE CC(C)N1C[C@@H](c2nnc(SCC(N)=O)n2N=Cc2cccc(Br)c2)CC1=O 2329018195 WRNQWOPPYXLWPA-ZDUSSCGKSA-N 465.377 2.225 30 10 JEEE COCCc1nnc(SCC(=O)Nc2nccs2)n1N=Cc1ccc2c(c1)OCCO2 2331273487 HGGYTOCCDASQAE-UHFFFAOYSA-N 460.541 2.308 30 10 JEEE COC(=O)[C@@H]1C[C@H](OS(C)(=O)=O)C(=O)[C@@H]2[C@]1(C)CC[C@@H]1C(=O)O[C@H](c3ccoc3)C[C@@]12C 2333257918 JPQCLBRBPPZECE-BPDTZMIASA-N 468.524 2.413 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC2CCN(C(=O)OC(C)(C)C)CC2)n1C 2362330930 DMIVGUUDLGNZIV-UHFFFAOYSA-N 462.400 2.405 30 10 JEEE COc1nc(N2CCN(C)C[C@H]2CNC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2365345019 WOCKMSJXQVYKQQ-MRXNPFEDSA-N 462.400 2.035 30 10 JEEE CC(C)(C)OC(=O)NCC12CC(CCN1C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)C2 2366059872 LKKNIXIVONMQFV-UHFFFAOYSA-N 458.368 2.295 30 10 JEEE C=CCn1c(SCC(=O)N(C)CC(=O)N2CCOCC2)nnc1-c1ccc(Br)cc1 10610706 ZFOCGOGEMRGSRA-UHFFFAOYSA-N 494.415 2.303 30 10 JEEE COc1ccc(NC(=O)CSc2nnc(N/N=C/c3ccccc3[N+](=O)[O-])n2N)c(C)c1 59884739 ZWIGXZFMKDDDLO-UFFVCSGVSA-N 456.488 2.394 30 10 JEEE C=C1C(=O)O[C@@H]2C=C(C)[C@H](OC(C)=O)CC=C(COC(C)=O)C[C@H](OC(=O)/C(C)=C/CO)[C@H]12 256068604 HPWMABTYJYZFLK-ZAICJTJCSA-N 462.495 2.096 30 10 JEEE biogenic CC(C)(O)[C@@H]1CC(=O)[C@]2(C)[C@H](CC[C@]3(C)[C@H](c4ccoc4)OC(=O)[C@@H]4O[C@@]432)[C@@]12COC(=O)C[C@@H]2O 257427067 GNNAZOFNKOMONV-KTFZAOAQSA-N 488.533 2.092 30 10 JEEE C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 520845703 SLHUIXBDKCQSQH-KRWDZBQOSA-N 497.602 2.282 30 10 JEEE N[S@](=O)(O)=C1C=CC(=NC(=O)COc2ccc(Cl)cc2/C=C2\SC(=S)NC2=O)C=C1 585657643 CEZURXWNNQTHIO-NVNXTCNLSA-N 483.980 2.105 30 10 JEEE N#Cc1ccc(CNC(=O)C(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)c(F)c1 609256737 FTHHYXWKZKGTBW-UHFFFAOYSA-N 464.906 2.390 30 10 JEEE C=CCN(CC(=O)NN1C(=O)N[C@@](C)(c2ccc(OC)cc2)C1=O)Cc1cccc([N+](=O)[O-])c1 745168907 BEBIXKFFMCPXFN-QHCPKHFHSA-N 467.482 2.090 30 10 JEEE C#CCOc1ccccc1CNC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(C(C)C)cc1 1136809884 HMUDDYFCCWFJMV-UNMCSNQZSA-N 456.564 2.262 30 10 JEEE C=CCC[C@@H](CO)NC(=O)c1cccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c1 1140626978 MAVRKPLMQHLSCI-QFIPXVFZSA-N 457.596 2.250 30 10 JEEE C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)C1 1140895502 BTJZCTPWMIPSAZ-RTBURBONSA-N 454.596 2.484 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@]1(C)CCCO1)[C@@H]1CCS(=O)(=O)C1 1286392439 GZZPFZUCZCYMQJ-XXBNENTESA-N 458.584 2.073 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@H](c1cccs1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1286395652 SCGLNYXHEMZHEC-WOJBJXKFSA-N 484.651 2.255 30 10 JEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CC1CCN(CC(F)(F)F)CC1 1286462101 CXYPMFKAXBMJCV-UHFFFAOYSA-N 482.507 2.366 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccccc3Br)n2CCc2ccn(C)n2)CC1 1286475570 BSEGYYZOZVPHCH-UHFFFAOYSA-N 454.376 2.439 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2nnc(CC)s2)CC1 1286485772 XUPOKMVXEDEZJY-CALCHBBNSA-N 486.646 2.266 30 10 JEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](COc2ccccc2)C1 1286701218 WTLBLXBZOUGEGK-FPOVZHCZSA-N 475.615 2.483 30 10 JEEE C=CCCOCCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1286716300 JPFNSQWFWZLIRD-GZMKSWLHSA-N 450.580 2.368 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCOC[C@H]1OC 1286741738 JNRGINMFMRSYCE-QHAWAJNXSA-N 450.543 2.345 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1([S@](C)=O)CC1 1286774055 YAVSNECUGJTLNW-JSRFKQPZSA-N 483.635 2.136 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1C[C@H](C)N(C)C 1292116557 CZLJDQHKWNWHHR-KRWDZBQOSA-N 470.597 2.484 30 10 JEEE CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1Cc1ccc(NC(C)=O)cc1 1297279145 BVSGNMBGMMQHEO-UHFFFAOYSA-N 460.542 2.415 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1CCCc1cc(OC)ccc1OC)[C@H]1CCS(=O)(=O)C1 1300496287 PIZKTGZSFQHQCK-PMACEKPBSA-N 488.610 2.059 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@H]1CCS(=O)(=O)C1 1300578813 HJPWWFCIDIYQQH-LJQANCHMSA-N 492.605 2.134 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@H](C)N1CCc2ccccc2C1 1300649034 JWMJOUNVMSPDLP-FQEVSTJZSA-N 450.587 2.047 30 10 JEEE COc1ncccc1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(S(C)(=O)=O)CC1 1300710956 ANNUBDBEXMNIFS-UHFFFAOYSA-N 482.566 2.194 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCS(=O)(=O)CC=C)CC1 1300718466 PFWRFZCGEVLUEP-UHFFFAOYSA-N 493.992 2.304 30 10 JEEE C#CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](NC(C)=O)C1 1300763704 RBLVEUYGFHEDAG-RTBURBONSA-N 492.646 2.058 30 10 JEEE C#CCSCCn1c(N2CCC(N3CCCNC3=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1300777825 DKXKDXCQGXFWHP-QHCPKHFHSA-N 476.647 2.069 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2ccc(OC)cc2C1 1300871315 BGLJVHXRRJZALQ-MDKPJZGXSA-N 475.615 2.441 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](C(=O)OC)C1 1300877257 WXYUKRBKYZZYTA-LNLFQRSKSA-N 454.531 2.296 30 10 JEEE C=CC1CCN(c2nnc(-c3cc(Br)cn3C)n2CCCNS(C)(=O)=O)CC1 1301110148 VXDBZTLWLRISTJ-UHFFFAOYSA-N 471.425 2.388 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1301577465 JZZAVOYKGPYZIV-KRWDZBQOSA-N 463.579 2.426 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N(C)[C@@H]1CCN(Cc2ccccc2)C1 1301589636 VCDGSNWVUYRNMD-FCHUYYIVSA-N 473.643 2.484 30 10 JEEE COCCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(N2CCCCCC2)nc1 1301806402 GELBLTLHWNZPEU-FQEVSTJZSA-N 466.590 2.419 30 10 JEEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@@H]2CCO[C@H](C)C2)CC1=O 1301887498 IDROOKPEYWOMNR-RTBURBONSA-N 452.559 2.317 30 10 JEEE C[C@H](C#N)CN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCCN1CCC(O)CC1 1301952152 HPGMLTSLLARNBO-QGZVFWFLSA-N 474.009 2.304 30 10 JEEE CCN1CCN([C@@H](C)Cn2c(C3CCN(c4ncccn4)CC3)nnc2N(C)[C@@H](C)CC#N)CC1 1313926580 DSJJQXSFRBNJFB-SFTDATJTSA-N 480.665 2.216 30 10 JEEE N#Cc1ccc(-c2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2CC(=O)NCC(F)(F)F)cc1 1316529819 DRBQJHJFRUDUOF-CYBMUJFWSA-N 462.354 2.263 30 10 JEEE COc1ccc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)cc1S(=O)(=O)NC(C)C 1352871760 COIRNATWHUOJQY-UHFFFAOYSA-N 458.584 2.458 30 10 JEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2cc(C)n(-c3nc(C)cc(C)n3)n2)c1 1355984043 MLHMHYGARURMLZ-UHFFFAOYSA-N 458.522 2.074 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@H](C)N1CCOCC1 1358987520 JWQPWWMDGJZJHC-LJQANCHMSA-N 467.570 2.155 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCc2ccc(N(C)C)cc2)CC1 1359029527 AAWAHOWPLZZOSF-SANMLTNESA-N 466.630 2.383 30 10 JEEE C#CCSCCn1c(-c2ccccn2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1359054386 UEJHTMYMSDXVQO-DENIHFKCSA-N 467.643 2.085 30 10 JEEE C=C(Br)Cn1c(-c2cccc(C)n2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1359081427 APCUSKBHSFGBGP-UHFFFAOYSA-N 483.374 2.378 30 10 JEEE C=C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1359160968 KXEOXLIHPCXRCX-KRWDZBQOSA-N 461.588 2.400 30 10 JEEE C=CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC(=O)N(C)C[C@H]1C 1359199375 SYPCRVASZPLCQZ-QGZVFWFLSA-N 460.604 2.219 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCSCC1 1359258731 AEDUKUXDFGBGGN-FQEVSTJZSA-N 461.657 2.422 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2ccccn2)CCC1 1359271651 ALPTVXFAQFMALY-LJQANCHMSA-N 472.615 2.306 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1359302469 INFHKVDPRDFGMC-HKUYNNGSSA-N 494.600 2.168 30 10 JEEE C=CCNC(=O)Cn1c(N2CCN(CC3CCCCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1359305643 JKEZQUYROACZTM-RUZDIDTESA-N 474.650 2.323 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@H](C(N)=O)C1 1359328170 WENPYPAKZMNDOG-CVEARBPZSA-N 482.006 2.374 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CC[C@H](C(N)=O)C1 1359328916 RREOIBAIFPPGPV-INIZCTEOSA-N 463.629 2.188 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1359334089 SFUOZIXVNXQXOV-IBGZPJMESA-N 491.633 2.298 30 10 JEEE C=CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1359342928 HXZUARIYWCZFKB-SBUREZEXSA-N 492.646 2.365 30 10 JEEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC2(CCCCCC2)C1 1359343158 NBAUQZRXOIDIOZ-LJQANCHMSA-N 499.703 2.460 30 10 JEEE CCOC(=O)c1c(NC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)c(C#N)cn1CC 1466880386 CRSFRBNVRKDLKT-UHFFFAOYSA-N 453.499 2.350 30 10 JEEE COCC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCSC(F)(F)F)CC1 1504536450 CHCWAJUMXFFONB-UHFFFAOYSA-N 484.504 2.277 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2CC[S@](=O)C(C)(C)C)c1 1507549873 AOFWCXFBCZTBPT-CVCYQNGTSA-N 457.600 2.385 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccc(N2CCOCC2)cc1)[C@@H]1CCS(=O)(=O)C1 1507623843 YCPCOSNQACBPPL-OAQYLSRUSA-N 471.627 2.087 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)nc2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1507644580 KPSBZJASAQCKMN-UHFFFAOYSA-N 465.945 2.321 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCO[C@@H]1c1ccccc1 1507711365 UMAYHIQEOBSRCA-BHDDXSALSA-N 472.611 2.434 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@]2(N(C)C)CCC[C@@H](C)C2)CC1 1507719307 MVZQEFFQSMNZHG-SDUSCBPUSA-N 458.651 2.196 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC(C)(C)C(=O)NCC)CC1 1507733104 XTFGQMORPVQRLG-UHFFFAOYSA-N 458.994 2.428 30 10 JEEE C#CCN1CCN(c2nnc(CSc3ccccc3OC)n2C[C@@]2(OC)CCOC2)CC1 1507733313 TXHGUROHSCSHLG-QHCPKHFHSA-N 457.600 2.140 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H](C)N2CCC[C@@H](C)C2)CC1 1507736732 SMRMIMHYEITVAA-SWYRRKHMSA-N 486.661 2.016 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](NC(=O)CC)C1 1507810098 ZGUXOKPWPAEEEC-LJCDUQBNSA-N 461.607 2.478 30 10 JEEE C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)Cc2cccc(OC)c2)CC1 1508042872 ZDQXFQQNAZKWPW-UHFFFAOYSA-N 461.526 2.011 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1508142515 DOTIJIBUEPXKDY-CTNGQTDRSA-N 487.626 2.037 30 10 JEEE CCO[C@]1(c2nnc(N(C)Cc3ccc(C#N)cc3)n2C[C@H](C)CN2CCOCC2)CCOC1 1516130610 ACOWSDJIVDXUBY-CJFMBICVSA-N 468.602 2.407 30 10 JEEE CSc1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(S(C)(=O)=O)CC2)ccn1 1520051366 GXDXPGLCDJKTPC-UHFFFAOYSA-N 469.596 2.064 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1CCCN(C(C)C)C(C)C)[C@H]1CCS(=O)(=O)C1 1539212214 SXXAAIJPQUSBIO-FQEVSTJZSA-N 458.632 2.476 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@](C)(O)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1539230227 DWIAFYUNRDLCMU-KNKQGSTJSA-N 450.605 2.088 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H]2CC(F)(F)CO2)CC1 1539428575 UBHKJBMMCUZUNT-GOSISDBHSA-N 478.931 2.041 30 10 JEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2cccc(F)c2)CC1 1539488559 AZIMUSRUHGOSJW-UHFFFAOYSA-N 456.591 2.342 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC(F)F)cc1 1539557568 XFDCKWDICPDIGE-PGRDOPGGSA-N 495.552 2.253 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)[C@H](C)CC(N)=O 1539633536 ZJIBHQQZAANKQJ-QFUCXCTJSA-N 468.606 2.133 30 10 JEEE C=CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](COC)C1 1540004892 HWPSOZHPGZJTKC-QZTJIDSGSA-N 451.568 2.404 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCN(C(=O)OCC)CC1 1540905086 SDUGJRCSBYTWHM-UHFFFAOYSA-N 486.598 2.230 30 10 JEEE C=CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1540913850 VMDCZMUWAXDNDN-IAGOWNOFSA-N 470.599 2.351 30 10 JEEE COCCNC(=O)[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CCN1C(=O)c1cscn1 1548371116 WJIFYDJXBMMZSL-KRWDZBQOSA-N 467.473 2.127 30 10 JEEE CS(=O)(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCCCCC2)C1 1555800641 CONKUHWAGDIEGP-OAQYLSRUSA-N 472.615 2.228 30 10 JEEE COc1cccc(CN(CCN(C)C)C(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)c1 1567586645 GTSKXAUSXNULLO-QGZVFWFLSA-N 458.584 2.103 30 10 JEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 1586260446 GZJNGNQMJPEOSK-DJIMGWMZSA-N 450.561 2.177 30 10 JEEE C#CCN(c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H](OC)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1588051153 ZWIQYNAMJVUFIL-LPHOPBHVSA-N 498.609 2.282 30 10 JEEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(OC)nc1OC 1588185520 HRUUGQQDQGBGAG-DEOSSOPVSA-N 453.543 2.242 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCOC[C@@H]1CCOC1 1588219382 RWXRHXPCVZHTEO-FQEVSTJZSA-N 474.565 2.098 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@H]1CCOC[C@@H]1OC 1588628700 NHWCQPWYXVEOIX-KNQAVFIVSA-N 494.596 2.373 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)cc1C(F)(F)F 1588647908 ZLSFLEWTJBRPDT-MRXNPFEDSA-N 486.516 2.342 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OCC(F)(F)F)nc1 1589151207 UOSZTMDTGNXRSP-AUUYWEPGSA-N 486.520 2.265 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCCO2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1589529168 LPJGLLMPUCMNSO-ZCNNSNEGSA-N 467.636 2.267 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CCS(C)(=O)=O 1589568720 LUCZINLJQSKVRB-WIYYLYMNSA-N 459.572 2.191 30 10 JEEE C=C(C)COCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(CC(=O)NC)CC1 1593747473 XDOJGFWIKQLGKW-UHFFFAOYSA-N 482.633 2.397 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1COCCO1 1595297647 UPBBYTBEJWIOBN-RBUKOAKNSA-N 465.595 2.447 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCCN(c2nc(CC)ns2)CC1 1595556511 VZNXFWOWDGGGQF-UHFFFAOYSA-N 484.605 2.441 30 10 JEEE C#CC1(O)CN(C(=O)c2ccc(OCC(=O)Nc3ccc(Br)cc3)c(OC)c2)C1 1603204783 HRAJLVACMZSZLO-UHFFFAOYSA-N 459.296 2.295 30 10 JEEE C=C(Cl)C[C@@H](NS(=O)(=O)c1ccc(NS(=O)(=O)C(C)C)c(F)c1)C(=O)OCC 1663611370 QSOUGUWKWVFNIY-OAHLLOKOSA-N 456.945 2.328 30 10 JEEE C=CCS(=O)(=O)CCNC(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 1679365940 RPIKGNNPCIHWIA-UHFFFAOYSA-N 450.439 2.046 30 10 JEEE COc1ccccc1[C@@H](NC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1nccn1C 1681961114 BNBWGWBZRUFHFY-IFMALSPDSA-N 458.522 2.490 30 10 JEEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](c2ccc(Cl)cc2)c2ccsc2)CC1 1682990657 WELKNGRMAQOLIB-SFHVURJKSA-N 452.989 2.286 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1c(Cl)c(C(F)(F)F)nn1C 1689851423 QSRRMPTXCFIUIB-QWRGUYRKSA-N 464.901 2.092 30 10 JEEE C#CCCCCn1c(-c2cc(Br)cn2C)nnc1N1CCN(CC(=O)NCC)CC1 1689878424 HQQLODHYUHWDKA-UHFFFAOYSA-N 476.423 2.108 30 10 JEEE C#CCN1CCN(c2nnc(COCC)n2Cc2ccc(C(=O)N3CCCCC3)cc2)CC1 1690133646 OKULZBZTCMIPOC-UHFFFAOYSA-N 450.587 2.244 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CC(C)(C)N2C[C@H](C)C[C@@H](C)C2)CC1 1690135392 VQDSSDXJFFZBIH-WOJBJXKFSA-N 485.677 2.139 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2Cc2cnn(C)c2)CC1 1690139802 ANWNUZBHFGDFFM-UHFFFAOYSA-N 477.569 2.100 30 10 JEEE C#CCSCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1690157484 IHCBPABYZBCQOK-QFIPXVFZSA-N 494.665 2.457 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(NC(=O)COC)CC1 1690252883 KBQCKENVWTYKFF-CJFMBICVSA-N 494.596 2.441 30 10 JEEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1690319085 CHCLGKKUXGWWOG-UHFFFAOYSA-N 489.646 2.492 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCOCC1(C)C 1690565371 IANQFPPEOUOHSE-OAQYLSRUSA-N 473.643 2.484 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CC(=O)N(C)[C@H](C)C1 1690660338 FJNHJVWUSAETOD-GOSISDBHSA-N 461.570 2.322 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCOC(C)(C)[C@H]1C 1690720570 MLJUZVSCLQXWJI-MRXNPFEDSA-N 462.572 2.321 30 10 JEEE C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCO[C@@H](C#N)C2)n1CCS(=O)(=O)C(C)(C)C 1692818251 AHFDZGRFLGJCQV-YJBOKZPZSA-N 465.551 2.499 30 10 JEEE CCCN(CC)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1695309298 CTMXCSRUFFHIPZ-UHFFFAOYSA-N 487.612 2.369 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCN(CC(F)(F)F)C1 1705485142 DYVLEVCPKRVWKI-HOTGVXAUSA-N 459.480 2.263 30 10 JEEE C#CCCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CCNS(C)(=O)=O 1705515994 RPOWHDOCRPIHDU-SFHVURJKSA-N 482.651 2.182 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1C[C@H]1CCSC1)[C@@H]1CCS(=O)(=O)C1 1705559757 BAXADVMTBQVPIZ-GDBMZVCRSA-N 498.472 2.426 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@]1(N(C)C)CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1705564847 QSBOVTHVTLHMRI-REHUZNOOSA-N 470.643 2.477 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@H](OC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1705568221 JOCLHCOROJXTLY-CTNGQTDRSA-N 460.600 2.463 30 10 JEEE C#CCN(CCOC)c1nnc(COc2ccc(Br)cc2)n1C[C@@]1(O)CCO[C@H]1C 1705630233 LFEJOXQHLZMXDV-KKSFZXQISA-N 479.375 2.246 30 10 JEEE C#CCSCCn1c(-c2ccccc2Cl)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1705657879 UHQQUYMXIDLARX-HNNXBMFYSA-N 454.021 2.435 30 10 JEEE C#CCSCCn1c(-c2cccnc2)nnc1N1CCN(CC(=O)NCc2ccccc2)CC1 1705658072 BBTNWHZDNGBXDS-UHFFFAOYSA-N 475.622 2.145 30 10 JEEE C#CCSCCn1c(-c2cccnc2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1705658155 GNQGJROWVDNZLQ-GOSISDBHSA-N 450.572 2.104 30 10 JEEE C=CC1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@]2(O)CCN(C)C2)CC1 1705780801 GUKMMHKQVRMUSY-QHCPKHFHSA-N 458.994 2.331 30 10 JEEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1705943304 UXZOQKHGKVQABC-UHFFFAOYSA-N 485.639 2.474 30 10 JEEE Cc1cccc(OCc2nnc(N3CCC[C@@](C)(C#N)C3)n2CC2(O)CCS(=O)(=O)CC2)c1 1707627338 GIKASTUWQABEBG-QFIPXVFZSA-N 473.599 2.235 30 10 JEEE CCO[C@H]1C[C@H](N(C)c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)N(C)C)C1(C)C 1710588044 CTTJAOFZYXYJNH-OALUTQOASA-N 460.604 2.348 30 10 JEEE COCC1(Cn2c(C3CCN(c4ncccn4)CC3)nnc2N(C)C[C@@H](C)C#N)CCOCC1 1712201117 AXQOABOFZFKLNX-IBGZPJMESA-N 468.606 2.491 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccccc1OCC(C)C)[C@H]1CCS(=O)(=O)C1 1722357940 BHNUWKSLSMDFEK-FQEVSTJZSA-N 487.626 2.126 30 10 JEEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CC1(CCC)CC1)[C@H]1CCS(=O)(=O)C1 1722365347 NKMSNQUHWNCGAC-PGRDOPGGSA-N 450.605 2.137 30 10 JEEE C#CCN(c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCCC)[C@H]1CCS(=O)(=O)C1 1722367451 LRZJKCXDFHRTPW-SFHVURJKSA-N 482.610 2.492 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C 1722419392 ZSDOWPKCVMXBIT-GOSISDBHSA-N 462.595 2.149 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)s3)n2CC[S@@](=O)CC)CC1 1722433848 HZIFDACGTDAHGM-SANMLTNESA-N 456.435 2.293 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2CCCCCS(C)(=O)=O)CC1 1722445687 WGSSUYVGKYDKLP-UHFFFAOYSA-N 475.590 2.265 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@@H]2CCCOC2)CC1 1722450097 XIPRNEZMPAJIDO-NRFANRHFSA-N 465.598 2.464 30 10 JEEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1722453839 DOYIONLAADYRCC-SFHVURJKSA-N 475.640 2.020 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1722688351 CFADOOKRFXJXGO-KSSFIOAISA-N 471.493 2.129 30 10 JEEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)Cc1cccs1 1722698529 GYFQJDIKRRPPQS-UHFFFAOYSA-N 452.588 2.452 30 10 JEEE CC(=O)N1CC[C@@H](CN(C)c2nnc(COc3ccc(C#N)cc3)n2CC2CCOCC2)C1 1722758404 AMHWMMFLWDPGEE-NRFANRHFSA-N 452.559 2.460 30 10 JEEE CO[C@]1(C)CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2cc(CO)nn2)CC1 1729911915 FQMLEGOSAIZMOJ-HSZRJFAPSA-N 450.547 2.386 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1ccc(OCC)cc1)[C@H]1CCS(=O)(=O)C1 1740620638 GBEXKXQYVOWBPD-FQEVSTJZSA-N 451.552 2.414 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCCOC1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1740620990 JJTKOFCCLMKDLW-LJQANCHMSA-N 460.604 2.045 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccnc2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1740758593 ZMNWVBNCYINYAH-WPYKKVEZSA-N 467.618 2.358 30 10 JEEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1740884450 BDMIYVVJEQKWOZ-UHFFFAOYSA-N 451.579 2.000 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(=O)N2CCCC2)n1C[C@@]1(C)CN(C)C1=O 1740915976 ZWWORXMRZGJOGV-XMMPIXPASA-N 452.559 2.194 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCCN(C(C)(C)C)CC1 1740951757 MYNZENMHWAENLA-UHFFFAOYSA-N 488.036 2.474 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1740964437 OXZYTQFMVFLZIE-UHFFFAOYSA-N 472.565 2.382 30 10 JEEE C=CCSCCn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1740998573 QSINSWXTKZYGPF-UHFFFAOYSA-N 458.588 2.037 30 10 JEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1741002382 HYPLNVFDNHPDOO-ZACQAIPSSA-N 485.676 2.449 30 10 JEEE CC(C)CC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1741501470 AOFAIJFJMYHCLN-CPJSRVTESA-N 481.601 2.472 30 10 JEEE CO[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1)C(C)(C)C 1748418649 HKAQMXBEWKDFGJ-LJQANCHMSA-N 460.604 2.396 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CN(CC(C)C)CCO1 1748652070 WNPPIKNVHVXRLE-FPOVZHCZSA-N 488.658 2.010 30 10 JEEE C#CCN(c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCC(=O)NC)[C@@H]1CCS(=O)(=O)C1 1748805063 NPYNVXVMFLHWKE-GOSISDBHSA-N 498.634 2.140 30 10 JEEE C#CCN(c1nnc(-c2ccccc2F)n1CCCOC[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1748810429 WEMONFBIRMSIKV-OALUTQOASA-N 476.574 2.154 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCSC1 1748941100 XDZATYNTMCSSAQ-DOTOQJQBSA-N 451.593 2.420 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1749117897 ADBWXTPTGJICPI-JKJDWNRSSA-N 481.541 2.026 30 10 JEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2nnc(C(C)(C)C)s2)CC1 1749329831 SWEJZRHRLDZFCT-CYBMUJFWSA-N 453.638 2.488 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cc(F)ccc2F)CC1 1749342833 QAAIDYPWOCOCBL-LJQANCHMSA-N 467.542 2.340 30 10 JEEE C=CCN(c1nnc(Cc2ccsc2)n1CCS(=O)(=O)N1CCSCC1)C1CC1 1749525909 XZPQLDNFNOFYCS-UHFFFAOYSA-N 453.659 2.464 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H]1CCCN1S(C)(=O)=O 1760112487 IEOKHCMXKZWHHO-IEBWSBKVSA-N 494.662 2.275 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@]1(O)CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1760183112 MMZVQMAYEHKDEQ-WVMBUTMQSA-N 488.610 2.140 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1Cc1cccc(Cn2ccnc2)c1)[C@@H]1CCS(=O)(=O)C1 1760186010 ITNGJYRZKUJHOJ-JOCHJYFZSA-N 466.611 2.396 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1c[nH]c2cc(F)ccc12 1760210448 RUCQRMMGWGWIDM-INIZCTEOSA-N 456.547 2.214 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCS(C)(=O)=O 1760240539 UQMZSWVKTLUUCL-JOCHJYFZSA-N 464.563 2.142 30 10 JEEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 1760287191 JMQLCTYXXXSKCK-RTBURBONSA-N 467.661 2.327 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@](C)(O)CCOC 1760293312 RHAVZXBKXNXKJM-FGZHOGPDSA-N 460.604 2.018 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(C2CCCC2)CC1 1760315208 BHUXWDBHCRSORC-ZVDOUQERSA-N 480.679 2.324 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)NCC(F)F 1760336723 HNLOBBSJBHMBQR-OAHLLOKOSA-N 472.537 2.370 30 10 JEEE C=C1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCN2CCOC[C@H]2C)CC1 1760389782 UAIYKRXFFNBZEC-WOJBJXKFSA-N 476.622 2.464 30 10 JEEE C=CCN(Cc1cccs1)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCCS(=O)(=O)C1 1760487836 FNTXWVCSGIQTFA-KRWDZBQOSA-N 463.629 2.479 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1760525045 RPWXHSSUCMIRJT-IFMALSPDSA-N 452.603 2.027 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCN(C(=O)NCC)CC1 1760550841 KVVZMDMMUANCJS-UHFFFAOYSA-N 497.625 2.254 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC(C(=O)OC)CC1 1760556743 ORRSCRPCGPEEPQ-UHFFFAOYSA-N 471.583 2.340 30 10 JEEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC=C(Br)C1 1760566333 RDRZLNLTHFFQGN-HNNXBMFYSA-N 492.465 2.019 30 10 JEEE CC[C@H]1CCCCN1CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1765097828 HMEAPOIWLGTSPR-LEWJYISDSA-N 451.575 2.032 30 10 JEEE CN(C)C(=O)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1766859070 BJEWUBHKVQXHSO-HXUWFJFHSA-N 476.585 2.400 30 10 JEEE COc1ccncc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(C#N)c1 1769007672 AEHZCMBZMLRNDA-SFHVURJKSA-N 452.540 2.140 30 10 JEEE Cn1c(=O)oc2cc(S(=O)(=O)N3CCN([C@H](C#N)c4cccc(Br)c4)CC3)ccc21 1857956755 CGYOZUKTYROXNW-GOSISDBHSA-N 491.367 2.465 30 10 JEEE Nc1cccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(O)c([N+](=O)[O-])c2)c1 1862562823 ONCNGFNDDSFQDY-OAQYLSRUSA-N 482.493 2.183 30 10 JEEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1ccc(N(C)C)cc1 1862628799 HDAYQQZOCDGKPG-OAQYLSRUSA-N 451.479 2.196 30 10 JEEE COC(=O)c1ccc([C@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2CCCNC=O)cc1 1862706680 CAFDMARUCBZUEY-FQEVSTJZSA-N 452.463 2.196 30 10 JEEE CC(C)[C@@H](C(=O)Nc1c(C#N)nnn1-c1ccc2[nH]ncc2c1)N1C(=O)c2ccccc2C1=O 1870143638 URSBKZMUXRPNDT-IBGZPJMESA-N 454.450 2.275 30 10 JEEE C=CCOc1cn(CCc2ccc(S(N)(=O)=O)cc2)c(CSc2nccn2C)cc1=O 1870244975 RLMCRLGRHJHAQT-UHFFFAOYSA-N 460.581 2.329 30 10 JEEE COCCOC(=O)COc1cn(CCN(C)C)c(CSc2nc(C)c(C)c(C)c2C#N)cc1=O 1870274047 CKIVGYQYVIZFEQ-UHFFFAOYSA-N 488.610 2.463 30 10 JEEE COc1ccc([N+](=O)[O-])cc1CC(=O)N1CCC(OCC#CCN2CCN(C(C)C)CC2)CC1 1891157623 JRUDMULEECNAST-UHFFFAOYSA-N 472.586 2.183 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)N1CCC(B2OC(C)(C)C(C)(C)O2)CC1 1962870065 ZLOXYBUOXWLQRK-INIZCTEOSA-N 474.429 2.399 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)NC[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 2060134703 CEUKFTPXZGJIMI-KSFYIVLOSA-N 454.568 2.452 30 10 JEEE CN1C[C@@H](C(=O)N2CCC[C@@H](B3OC(C)(C)C(C)(C)O3)C2)N(C(=O)OC(C)(C)C)CC1=O 2124531086 BIHXKMSYKRTTIL-CVEARBPZSA-N 451.373 2.149 30 10 JEEE CN(C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2185152461 WRJFEWUZFCPQQN-LJQANCHMSA-N 461.412 2.447 30 10 JEEE CC(C)(C)OC(=O)N[C@H](C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1)[C@@H](O)C(F)(F)F 2254211543 HHXICQKHOOBECM-IXDOHACOSA-N 456.465 2.039 30 10 JEEE Cc1cc(S(=O)(=O)NC[C@@H](C)NC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2255747860 SFVCKFAZOXAVSE-OAHLLOKOSA-N 454.398 2.486 30 10 JEEE CC(C)(C)OC(=O)NCC=CCNS(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2255752567 KEGBXYKTHJVPRV-UHFFFAOYSA-N 452.382 2.345 30 10 JEEE Cc1ccc(S(=O)(=O)N[C@@H]2C[C@H]2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2255930873 BPBGTMWEUZOFSZ-HZPDHXFCSA-N 452.382 2.238 30 10 JEEE Cc1csc(CNC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)O)c1B1OC(C)(C)C(C)(C)O1 2256623281 BUPMNKCDDSAJKV-XJKSGUPXSA-N 454.398 2.246 30 10 JEEE CC(C)(C)OC(=O)N(CCO)CC(=O)Nc1nc(B2OC(C)(C)C(C)(C)O2)ccc1Cl 2256625074 RJDIPZZSLOXNBX-UHFFFAOYSA-N 455.748 2.202 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@H](CC(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C1 2256628896 ODWYXCOACGPZFE-ZDUSSCGKSA-N 453.370 2.407 30 10 JEEE CC(C)(C)OC(=O)NCCOCCNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2266974759 VNCGOBSBWXBOLH-UHFFFAOYSA-N 452.332 2.396 30 10 JEEE CC(C)(C)OC(=O)N=S1(=O)CC2(CN(C(=O)c3occc3B3OC(C)(C)C(C)(C)O3)C2)C1 2267183430 GHJGCNHNXGHRFD-UHFFFAOYSA-N 466.365 2.438 30 10 JEEE CC1(C)OB(c2ccsc2S(=O)(=O)NC[C@@H]2CCCCN2C(=O)C(F)(F)F)OC1(C)C 2267370385 LGOKCYBXCNRFMX-LBPRGKRZSA-N 482.355 2.269 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)Nc1nc(B2OC(C)(C)C(C)(C)O2)ccc1Cl 2268629940 DNWRWCBGMDGCBK-TZMCWYRMSA-N 467.759 2.343 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CC(C(=O)NCc2cc(B3OC(C)(C)C(C)(C)O3)cs2)=C[C@H]1O 2268719116 YPLQYIIFUAABQZ-IAGOWNOFSA-N 464.393 2.248 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](NC(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)C(C)(C)[C@@H]21 2281979127 LPQVUBKEHDYTEB-XOKHGSTOSA-N 460.384 2.473 30 10 JEEE C[C@H]1CCCN(C(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)[C@@H]1CNC(=O)OC(C)(C)C 2282034342 GXJWOJUFFFQGNR-DOTOQJQBSA-N 462.400 2.485 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@@H](NS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CC1 2282353902 ZHASIUFYBCHHBQ-QGZVFWFLSA-N 481.424 2.449 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@H](CNC(=O)c2ccc(F)cc2B2OC(C)(C)C(C)(C)O2)C1 2282404008 AKMCIIILASUELI-MRXNPFEDSA-N 464.343 2.491 30 10 JEEE Cn1cc(C(=O)N(CC2CC2)C2CN(C(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2282548678 ZCNLIYOESNVLGF-UHFFFAOYSA-N 460.384 2.191 30 10 JEEE CC(C)n1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC1(CNC(=O)OC(C)(C)C)COC1 2282565480 KTZAAYWIZZDOPZ-UHFFFAOYSA-N 463.384 2.392 30 10 JEEE Cc1cc(C(=O)N2CCC[C@@](CO)(NC(=O)OC(C)(C)C)C2)oc1B1OC(C)(C)C(C)(C)O1 2282583685 MYCZPYNGOTULQZ-HSZRJFAPSA-N 464.368 2.379 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O 2282675582 ZJHWPPXOWIJVAU-RBUKOAKNSA-N 460.380 2.394 30 10 JEEE Cc1nc(S(=O)(=O)N(Cc2ccccc2)C2(CO)CCC2)c(B2OC(C)(C)C(C)(C)O2)n1C 2282843214 JYHANVIJMIHRHU-UHFFFAOYSA-N 475.420 2.134 30 10 JEEE CC(C)(C)OC(=O)NCCCC[S@](C)(=O)=NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2283068729 NPJZRWPQVKZXFE-XIFFEERXSA-N 482.412 2.319 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CCNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)C(F)(F)F 2283069398 RQEGXVWMOXFWEF-GFCCVEGCSA-N 474.289 2.351 30 10 JEEE Cn1cc(C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)nc1CNC(=O)OC(C)(C)C 2283961458 DOMDXDRTNKKRIR-UHFFFAOYSA-N 457.340 2.391 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N1CCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C1 2284065799 LXWPIJCXCUUJPQ-LJQANCHMSA-N 460.380 2.146 30 10 JEEE COc1ccc(C(O)=C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccccc2)c(OC)c1 2296609517 GLBUNCLXOJWELE-QFIPXVFZSA-N 452.507 2.458 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CC[S@](=O)(=NC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C1 2315699200 PULWDHWUTXNCSQ-ZDUYTPDQSA-N 471.410 2.348 30 10 JEEE CC(C)(C)OC(=O)N1CCN(c2ncc(Cl)cc2B2OC(C)(C)C(C)(C)O2)C[C@@H](O)C1 2317225271 ZOOOKNDKANPZKA-OAHLLOKOSA-N 453.776 2.452 30 10 JEEE COc1ccc(OC)c(C=Nn2c(CNC(C)=O)nnc2SCC(=O)NC2CCCCC2)c1 2330772756 NHQJEWGMITUMJX-UHFFFAOYSA-N 474.587 2.355 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1CC2(C1)C[C@@H]2NC(=O)OCc1ccccc1 2337204386 KOEDXPXVIAFLBE-SGKRCEGKSA-N 480.374 2.297 30 10 JEEE COc1nc(OC[C@H]2COCCN2C(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2339821850 AAZLNRZFNCFJLB-OAHLLOKOSA-N 450.341 2.404 30 10 JEEE CC(C)(C)OC(=O)N1[C@H]2CCO[C@H]2C[C@@H]1C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2359385525 UAPMLLAWELLZFU-XHSDSOJGSA-N 479.408 2.225 30 10 JEEE CC(C)(C)OC(=O)N1CC(OCCCNC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2362206061 FXGCSVJFEYXTNF-UHFFFAOYSA-N 461.368 2.137 30 10 JEEE CCOc1ccc(NC(=O)CSc2nnc(N/N=C/c3ccc(C(=O)OC)cc3)n2N)cc1 20805938 WQCDBIZMMLBYEO-FSJBWODESA-N 469.527 2.354 30 10 JEEE COc1cc(/C=N/Nc2nnc(SCC(=O)NCc3ccc(C)cc3)n2N)cc(OC)c1OC 20827215 FOJNIAFBTZBQOS-BRJLIKDPSA-N 485.570 2.181 30 10 JEEE COc1cc(/C=N/Nc2nc(SCC(=O)Nc3nc(C)cs3)n[nH]2)c([N+](=O)[O-])cc1O 59040051 XVQRXPIKJUCZII-YAXRCOADSA-N 464.489 2.369 30 10 JEEE CCCCCCCCO[C@@H]1O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 72400234 RNGLREVZONTJLS-ZSYZGHEHSA-N 460.520 2.447 30 10 JEEE COc1ccc(S(=O)(=O)C[C@@H](C)C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)cc1 1126947717 AMNXTPQWBKDVAW-HZPDHXFCSA-N 451.545 2.076 30 10 JEEE C#CCN1CCC[C@H](NC(=O)c2ccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)cc2)C1 1154959040 OANYMRQQALAQRC-IBGZPJMESA-N 455.536 2.086 30 10 JEEE Cc1cc(O)nc(N2CCC[C@H](NS(=O)(=O)c3ccc(Br)c(C#N)c3)C2)n1 1194789065 IDVBEPSDXVLNQK-ZDUSSCGKSA-N 452.334 2.072 30 10 JEEE C#CCN(C)c1nnc(-c2ccc3c(c2)OCO3)n1CC[C@H](N1CCOCC1)C(F)(F)F 1286371219 IGIWATYMIDQNQR-SFHVURJKSA-N 451.449 2.396 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1CCOCCCC)[C@H]1CCS(=O)(=O)C1 1286380760 DEVBJUVARWFKPA-KRWDZBQOSA-N 498.447 2.490 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1Cc1ccccc1OCC)[C@@H]1CCS(=O)(=O)C1 1286385331 WLFRVZSQIROQSM-YKSBVNFPSA-N 488.610 2.004 30 10 JEEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCS(=O)(=O)CC=C 1286412550 BSTXWVWZIJCRFL-UHFFFAOYSA-N 475.615 2.066 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccccc3F)n2CC[C@H](C(F)F)N2CCOCC2)CC1 1286476533 YMRPXKVLTSLHQG-HXUWFJFHSA-N 462.520 2.195 30 10 JEEE C#CCSCCn1c(-c2cc(Br)cn2C)nnc1N(C)CCS(=O)(=O)CC 1286497092 MRQFSBZDUBUQEO-UHFFFAOYSA-N 474.450 2.283 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1286550140 YQFPFWAGZQQBPU-QZTJIDSGSA-N 498.550 2.390 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1286789836 XSELZJFSZSCFOV-HNNXBMFYSA-N 454.472 2.383 30 10 JEEE CC(C)CCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1CC1CCS(=O)(=O)CC1 1287596206 CPCBJQCKIGFDAA-UHFFFAOYSA-N 450.609 2.105 30 10 JEEE CCC1(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CC(=O)N2CCOCC2)CCOCC1 1292446350 CSDVQRTXLNDJCB-UHFFFAOYSA-N 482.585 2.231 30 10 JEEE CCN(CCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCO[C@H](C#N)C1)S(C)(=O)=O 1295805309 CHZSYKWLSOTJLH-GOSISDBHSA-N 483.598 2.202 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[C@H]2C[C@H](F)C2)c1 1300334317 LOGCVEIUUJAWPO-FHWLQOOXSA-N 473.574 2.375 30 10 JEEE C#CCCCCn1c(-c2noc3c2COCC3)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1300356678 DNVDFFHHJDXFGY-UHFFFAOYSA-N 476.603 2.108 30 10 JEEE C#CCCCn1c([C@@H]2CCCCO2)nnc1N1CCN(C[C@@H](O)COc2ccccc2)CC1 1300409752 UKEYAUZYZCBJAJ-GGAORHGYSA-N 453.587 2.495 30 10 JEEE C#CCN(c1nnc([C@H]2COc3ccccc3O2)n1CCN(C)CCCC)[C@H]1CCS(=O)(=O)C1 1300495683 JJIUBFGLXRSMMX-SIKLNZKXSA-N 487.626 2.149 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1C[C@@H](C)Oc1ccccc1OC)[C@H]1CCS(=O)(=O)C1 1300501674 MYLSKENPGUYAII-MJGOQNOKSA-N 458.584 2.333 30 10 JEEE C#CCN(c1nnc(COCC)n1Cc1ccccc1OCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1300504390 MYMZHWLPEVILGU-QGZVFWFLSA-N 486.516 2.431 30 10 JEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](C(C)C)N1CCCC1 1300527182 DARKVBXWBKAQTO-OAQYLSRUSA-N 467.643 2.431 30 10 JEEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1301058921 LKRDIOCHSKJCHU-HKUYNNGSSA-N 461.950 2.423 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@](C)(C(N)=O)C1 1301534558 CBBULFQUKFGLRL-VAXXYWNWSA-N 455.559 2.317 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(OC)CCC(C)CC2)C1 1301538886 LUHNJNNRWSFIRX-UISNHOIMSA-N 455.625 2.265 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1301576675 XSFQMESPLVYBRR-JPYJTQIMSA-N 476.599 2.329 30 10 JEEE COCC(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCSC2)CC1 1315755582 DGNZCVFUIPQMNZ-SFHVURJKSA-N 470.599 2.213 30 10 JEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(=O)NC2CCCCC2)CC1 1358904974 PPHABNUPAIMWRS-GOSISDBHSA-N 493.678 2.293 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Cl)n1C[C@H]1NC(=O)CC1(C)C)[C@@H]1CCS(=O)(=O)C1 1358959090 BINWDHXYJQAKLV-CRAIPNDOSA-N 476.002 2.140 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@H]1CCCS1)[C@@H]1CCS(=O)(=O)C1 1358959934 SHZTWWBFRZEYAX-SJLPKXTDSA-N 476.624 2.485 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@@H](C)OC)CC1 1359045193 ZHRYLWQADUCJJJ-GOSISDBHSA-N 488.633 2.393 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2CCN2CCOC(C)(C)C2)CC1 1359047924 YSVWSXWVLVZBDL-UHFFFAOYSA-N 498.603 2.073 30 10 JEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1359135979 VDISTVIZXNHGNS-MSOLQXFVSA-N 462.595 2.343 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CCCOc1ccc(S(C)(=O)=O)cc1 1359149581 CXTHZZHQZRDVSV-KRWDZBQOSA-N 467.979 2.291 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCO[C@@H](c2nccs2)C1 1359291016 BBTQSEINVBMVLB-GOSISDBHSA-N 481.582 2.484 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCN(C(=O)OC(C)(C)C)C2CC2)C1 1359320455 QQITZPZOEQGBLQ-ZWKOTPCHSA-N 460.579 2.410 30 10 JEEE CC(C)(C)[S@](=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1359588978 CCYVPEYAEQWZHB-YEPRJOMISA-N 470.599 2.226 30 10 JEEE CC(C)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCO[C@@H]2C)[C@H](C)C1=O 1360017014 AKDPYYRLLVGPJY-QZTZHPFYSA-N 452.559 2.050 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2CCC2(OC)CCC2)c1 1507551742 GXWPYCZBHPQDBW-UHFFFAOYSA-N 464.570 2.416 30 10 JEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CCN1CCOC(C)(C)C1 1507578521 ZEOBCSOBTWAWCI-UHFFFAOYSA-N 459.616 2.309 30 10 JEEE C#CCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1507594080 CICVQVXGNPKOMA-UHFFFAOYSA-N 450.587 2.288 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1Cc1cccc(OCC)c1)[C@H]1CCS(=O)(=O)C1 1507630462 ZLZCRIBZRQHYRG-IBGZPJMESA-N 453.568 2.357 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1cccnc1OCCCC)[C@@H]1CCS(=O)(=O)C1 1507632536 MWQGYMUVDMUIME-VQTJNVASSA-N 473.599 2.031 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1C[C@H](c1cccs1)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1507635535 WWWAXVVQPCLXOE-VQTJNVASSA-N 491.683 2.238 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)Nc2ccccn2)n1CCNC(=O)C1CC1 1507700992 WSNLSTBOQWLSEL-UHFFFAOYSA-N 461.501 2.231 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OC)n2C[C@](C)(O)c2ccco2)CC1 1507741624 YBLFKOQZKMUPQU-SANMLTNESA-N 493.564 2.332 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccsc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1507804534 GRABGXMSFGZDOL-ICSRJNTNSA-N 465.645 2.383 30 10 JEEE C=CCS(=O)(=O)CCn1c(Nc2ccn(C)n2)nnc1[C@@H]1CCCN1C(=O)OC(C)(C)C 1508149842 XMBSAVWOPLYPQB-HNNXBMFYSA-N 465.580 2.428 30 10 JEEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccnc1OCC(F)F 1509950959 GITAVYPPMNWJGN-UKRRQHHQSA-N 454.503 2.006 30 10 JEEE Cc1cc(C)nc(-n2nc(C)c(CC(=O)N3CCN(C(=O)OC(C)(C)C)C[C@@H]3C#N)c2C)n1 1515673951 FWVHASLMYIQWNY-SFHVURJKSA-N 453.547 2.410 30 10 JEEE CCOCc1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1C[C@H]1CCS(=O)(=O)C1 1516529150 FKLGLLOCTDEHOP-GOSISDBHSA-N 459.572 2.169 30 10 JEEE CCS(=O)(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1516771707 DRYQXEJBZITZDH-GOSISDBHSA-N 491.639 2.045 30 10 JEEE COC1CCN(C(C)(C)Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCS(C)(=O)=O)CC1 1518593419 CTPKCNAMUJCCAM-UHFFFAOYSA-N 474.631 2.187 30 10 JEEE C#C[C@H](NC(=O)[C@H](Cc1cccc(Br)c1)[C@H]1CCS(=O)(=O)C1)[C@H]1CCCO1 1537762508 DFDQYFYCGYUWOY-WZGPROSRSA-N 454.386 2.340 30 10 JEEE C#CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN2C(=O)NC[C@H]2C1 1539118649 CRGMRZIBIRLJNX-SFHVURJKSA-N 457.579 2.020 30 10 JEEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1539154590 QKPHNICBNVSLLX-XLIONFOSSA-N 459.513 2.041 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCNC(=O)C(C)(C)C 1539260593 QOMDHAUUJHYLSH-UHFFFAOYSA-N 473.581 2.300 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC[C@H]2CCO[C@H](C)C2)CC1 1539469237 PEESABTWNKIHKJ-RNHFSVANSA-N 473.618 2.101 30 10 JEEE C#CCSCCn1c(Cc2ccccc2F)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1539520489 RSWOUOYLDNOFNO-GOSISDBHSA-N 470.618 2.164 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccccc2F)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1539637360 PNUJBMJOXYCKLX-LQBOVUBWSA-N 477.606 2.459 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c(-c2cnccn2)nnc1N1CCN2C(=O)OC[C@H]2C1)C(C)C 1540151343 GKDBSMAJOBVPQJ-UYAOXDASSA-N 452.563 2.075 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1540863057 OJOXWEACDRBNSM-FFZOFVMBSA-N 459.522 2.244 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)Cc1ccc(Br)o1 1540877298 QATZIXKYNKCBTK-GUYCJALGSA-N 468.352 2.296 30 10 JEEE C=CCOc1ccccc1Cn1c(CC)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1540880977 VKIVYTDINAGBIL-UGKGYDQZSA-N 452.603 2.442 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3OC)n2CCS(=O)(=O)N2CCSCC2)C1 1540888804 YMJPNGYTXXWXMS-GOSISDBHSA-N 493.655 2.114 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC[C@@H](CN2CCCCCC2)C1 1540901401 CAHUXIZCFCTDSM-FQEVSTJZSA-N 473.647 2.428 30 10 JEEE CC(C)OCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCO2)CC1 1541766811 GTEMDWVGONDVPO-QFIPXVFZSA-N 454.575 2.455 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCOC[C@@H]2C[C@@H](O)c2cccs2)ccc1F 1545707327 KJETUSNWGMLFEJ-DOTOQJQBSA-N 454.545 2.316 30 10 JEEE CN(C)C(=O)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1552692329 BWJRKACNVCQYCK-HXUWFJFHSA-N 488.614 2.001 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1587604760 YPOGCEOZCYJLLM-UYAOXDASSA-N 466.586 2.117 30 10 JEEE C#CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1587803860 OMKHMWLVAFPPMM-LJQANCHMSA-N 458.588 2.079 30 10 JEEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 1587804274 XGJBEUXHFMZFSO-MRXNPFEDSA-N 450.503 2.423 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1Cc1nnc(C)s1)[C@H]1CCS(=O)(=O)C1 1588039648 BHHSCUINSSJHJB-HNNXBMFYSA-N 493.014 2.442 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1cnn(CC(C)C)c1C)[C@H]1CCS(=O)(=O)C1 1588053346 CRQBBDHBJORUSQ-SFTDATJTSA-N 474.631 2.356 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CCOC[C@@H]1OC 1588171099 UOFWADDMWSERAA-ZRNYENFQSA-N 457.575 2.173 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H]1CCCCS1(=O)=O 1588219026 IXRYGKRBSNAQAX-LJQANCHMSA-N 492.605 2.105 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCN1C[C@H](C)O[C@@H](C)C1 1588280137 HBGZITITRVOEMR-OALUTQOASA-N 459.616 2.307 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCN(CC)C1 1588550329 NSIDQHGSUNNVIU-UXHICEINSA-N 459.591 2.301 30 10 JEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@H](c1cccs1)N(C)C 1588629079 WVBWHVPYLCOPFE-QGZVFWFLSA-N 456.572 2.456 30 10 JEEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC2(C(N)=O)CCCC2)CC1 1588865609 YEOUVYWYEMRJHP-UHFFFAOYSA-N 450.587 2.275 30 10 JEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1589110110 PNSDQIREQMQZNJ-UHFFFAOYSA-N 460.007 2.142 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1589545687 ONUQCRMKVALKFK-QWIQJREVSA-N 458.534 2.349 30 10 JEEE C=C(C)COCCn1c(N2C[C@H](C)[C@@H](N3CCOCC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1593769336 MPFKYBVMXKGBMF-HFMPRLQTSA-N 463.623 2.068 30 10 JEEE C=C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCNS(=O)(=O)c2ccc(C)s2)CC1 1594023690 NDMWGPWJJYLBSI-NRFANRHFSA-N 481.644 2.435 30 10 JEEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 1594625950 JEQFZJBOQRGWNA-FQEVSTJZSA-N 486.642 2.297 30 10 JEEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CN2C[C@H](C)O[C@H](C)C2)CC1 1594807404 NVHAFQKHBLZIBP-SVFBPWRDSA-N 460.623 2.148 30 10 JEEE C=CCCOCCn1c(N2CCN3CCOC[C@@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1594830538 YONYYXJYFZHZPN-ZCNNSNEGSA-N 476.622 2.162 30 10 JEEE C=CCN(c1nnc(-c2ccc(OC)cc2)n1CCS(=O)(=O)N1CCSCC1)C1CC1 1595038389 WEOALFHUCQMWAS-UHFFFAOYSA-N 463.629 2.487 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)N1CCCCC1)C1CC1 1595054949 VQAQVUCKAFDESI-IBGZPJMESA-N 466.652 2.030 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCCN(C(=O)c2cccc(C)c2)CC1 1595545584 YWLDNNDDFVQLOL-NRFANRHFSA-N 466.586 2.483 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CCC(N)=O)CC1 1595658756 JNYSEHJROSLJEL-HXUWFJFHSA-N 487.626 2.275 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2CCS(=O)(=O)N(C)C)C1 1595715241 UHCXBVLWUZCROD-SFHVURJKSA-N 472.571 2.273 30 10 JEEE C=CCSCCn1c(Cc2ccncc2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1595890114 JHZZXUFAZPOUNB-FQEVSTJZSA-N 469.659 2.316 30 10 JEEE C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCCC(=O)NC1CC1 1596866570 HBLJXBWMLGSHKF-HOTGVXAUSA-N 458.588 2.133 30 10 JEEE CCc1nnc(NC(=O)[C@H](C)[C@H](C)NC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)s1 1630999407 FCMSOJWPUQKFIU-KGLIPLIRSA-N 456.576 2.298 30 10 JEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H](C)c1nc(C(F)(F)F)no1 1638579907 BVJVAWFRYHNYAK-PWSUYJOCSA-N 459.450 2.419 30 10 JEEE CC1(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CCN(C(=O)OC(C)(C)C)CC1 1639095558 AFSLFIKWZJTTLD-UHFFFAOYSA-N 450.561 2.021 30 10 JEEE N#Cc1ccc(CN2CC[C@H](NC(=O)N[C@H](CO)c3cccc(Br)c3)C2=O)cc1 1682021255 CPJWCFTWPNTKDN-RBUKOAKNSA-N 457.328 2.454 30 10 JEEE C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@H]1CCCCC1(F)F)[C@H]1CCS(=O)(=O)C1 1689979789 HGYFLNSAXRFZFX-KSZLIROESA-N 474.574 2.454 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H](CC(C)C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1689983587 DEGOYKPOKKERAC-WOJBJXKFSA-N 487.626 2.277 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1CCNc1nccc(C(F)(F)F)n1)[C@H]1CCS(=O)(=O)C1 1689989211 BZMJLFPVTYOABV-HNNXBMFYSA-N 499.563 2.414 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(F)cc2Br)n1CCCNS(=O)(=O)CC 1690008741 NBXNJMWJEADRAZ-UHFFFAOYSA-N 482.379 2.249 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OCCCC)c(OC)c3)n2C[C@@]2(O)CCOC2)CC1 1690119490 HLMMBRQYKDVWNZ-VWLOTQADSA-N 469.586 2.039 30 10 JEEE C#CCSCCn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1690179300 USNUJIOUIVETJZ-IRXDYDNUSA-N 460.629 2.141 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 1690237403 YLAHUQFVSARTMU-UFYCRDLUSA-N 469.652 2.260 30 10 JEEE C=C(C)COCCn1c(COc2ccccc2OC)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1690319109 CYJNRYJFOKLNJW-QHCPKHFHSA-N 476.599 2.473 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1690432518 FYLWBIOVYHXVHP-MSOLQXFVSA-N 493.634 2.289 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc(-c2cnn(C)c2)n1CCS(=O)(=O)N1CCSCC1 1690563627 YGXNXLHBUBIAMM-UHFFFAOYSA-N 487.655 2.250 30 10 JEEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@]1(O)CCOC1 1690605450 KQYIWZRHXFHRCX-HSZRJFAPSA-N 472.567 2.328 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCCN(c2nc(C)ns2)CC1 1690677818 BIRADKHUHBXLRG-IEBWSBKVSA-N 488.662 2.376 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 1690727163 VYCSJJVDJXOBTJ-UHFFFAOYSA-N 468.539 2.336 30 10 JEEE C#CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1705514898 MUVWOFXSWJLPJK-KRWDZBQOSA-N 468.583 2.009 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H]1CCCCS1(=O)=O 1705592428 WJWNXFWVYLCYRE-OAQYLSRUSA-N 456.568 2.393 30 10 JEEE C#CCN(CCOC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC(=O)NCC1CC1 1705629204 ZYUNOMBSRPEVDP-UHFFFAOYSA-N 474.606 2.005 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H]2CCCN2CCCO)CC1 1705642778 HCSCIJNAUNAUSB-OAQYLSRUSA-N 473.021 2.113 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OC)n2C[C@](C)(O)C(C)C)CC1 1705650904 CAAIRJIWDGMDTI-VWLOTQADSA-N 469.586 2.239 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccccc2C)nnc1N1CCN(S(C)(=O)=O)CC1 1705701400 GCTUYMNRPNLRMC-IFMALSPDSA-N 459.616 2.240 30 10 JEEE C=C(Cl)Cn1c(N2CCN(c3nccnc3C#N)C[C@H]2C)nnc1[C@]1(OC(C)C)CCOC1 1705760762 RFTBDFDOORKJLT-VGSWGCGISA-N 472.981 2.448 30 10 JEEE C=CCCCn1c(Nc2cnn([C@@H]3CC3(F)F)c2)nnc1[C@H]1CN(S(C)(=O)=O)CCO1 1705824564 TYCNDALMWQFREZ-HUUCEWRRSA-N 457.507 2.097 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1705895416 GRQFKCXSIYJEDO-UHFFFAOYSA-N 492.422 2.421 30 10 JEEE C=CCNC(=O)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1C[C@H](C)[C@@H](C)C1 1705907351 JOQJXERQXCTYIS-SFTDATJTSA-N 451.619 2.037 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCN([C@@H](C)c2nccs2)CC1 1705935487 SPWUMKHWAQZFPV-KRWDZBQOSA-N 452.650 2.417 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N(C)Cc1nc(O)c2ccccc2n1 1705937641 ZTEYTOXVKUTCSP-UHFFFAOYSA-N 479.566 2.150 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 1705939067 RCRJOSAYUSJUDQ-QZTJIDSGSA-N 467.636 2.109 30 10 JEEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@](C)(O)c2ccc(F)cc2)C1 1706934698 DXJAMYPNGJEJFD-USCONSEESA-N 461.563 2.357 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCCN1CCCCCC1=O)[C@H]1CCS(=O)(=O)C1 1722358872 GMZWMVLOWBLANT-QFIPXVFZSA-N 494.621 2.236 30 10 JEEE C=C(C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1722519341 CGSVLRPELPKVCH-UHFFFAOYSA-N 460.485 2.050 30 10 JEEE C=CCN(c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)NCC(F)(F)F)C1CC1 1722651441 UMJMTIWNSIHOBH-HNNXBMFYSA-N 488.511 2.420 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1722752180 XXBOOUQQWKYXAA-UHFFFAOYSA-N 497.625 2.144 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](c1cccs1)N1CCCC1 1722862995 GKCRTPPFIYBGHF-IXDOHACOSA-N 465.649 2.383 30 10 JEEE CC(C)C(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CC2)C1 1723069835 AHYPQFAJXVFNCU-LJQANCHMSA-N 484.626 2.383 30 10 JEEE CC(C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN(C)C2CCCC2)CC1 1723651560 CBLDBYOSQIMMBO-UHFFFAOYSA-N 478.645 2.338 30 10 JEEE CNC(=O)CCCN(C)c1nnc(-c2ccc(C#N)cc2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1729698124 BWOCVFUDCGJNQX-RTBURBONSA-N 453.591 2.278 30 10 JEEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N(CCC#N)CC3CC3)n2CCc2cccc(F)c2)C1 1731012319 GAHTZFRJRHHFNU-HXUWFJFHSA-N 476.578 2.123 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1Cc1nc(C)cs1)[C@H]1CCS(=O)(=O)C1 1740618839 CJDDJAZALNAXQM-KRWDZBQOSA-N 457.581 2.394 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 1740644902 YJHIFMAQQZJNNN-DEOSSOPVSA-N 474.609 2.268 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](CC)c3ccccc3)n2CCc2n[nH]c(C)n2)CC1 1740702935 BFTYSRPVFRCAOC-OAQYLSRUSA-N 460.586 2.455 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H](C)N(C)C2CC2)CC1 1740703071 FLBUHPRCGLEAPO-KRWDZBQOSA-N 465.558 2.302 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCCS(=O)(=O)Cc2ccccc2)CC1 1740704097 HPUFSHGOAVZCGP-UHFFFAOYSA-N 494.621 2.244 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@](C)(O)C2CC2)CC1 1740704641 VKFGXUPKFBOTOY-SANMLTNESA-N 481.597 2.479 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1C[C@H](C)N1CCN(CC)CC1 1740733919 OPLBVIIXKMJYII-YADARESESA-N 469.659 2.288 30 10 JEEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2cc(OC)c(C)cc2C1 1740787097 ACOAZLXEFJFMIV-QGZVFWFLSA-N 463.604 2.361 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CCC(NC(C)=O)CC1 1740954548 OJQVSHJZKQMJEK-UHFFFAOYSA-N 467.393 2.176 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(c2cc(F)cc(F)c2)CC1 1740961969 OBLWRZCQDAMWJA-UHFFFAOYSA-N 453.497 2.171 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(OC(C)C)nc2)C1 1740981025 NLGBCHYJWAFJKQ-OALUTQOASA-N 461.588 2.192 30 10 JEEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1740995588 QKASGENGJLULCR-SFHVURJKSA-N 456.620 2.329 30 10 JEEE CC(C)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1)N1CCOCC1 1741310924 DPVGNPCTCKNZGU-FGZHOGPDSA-N 486.642 2.187 30 10 JEEE CC(C)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1)N1CCOCC1 1741310930 DPVGNPCTCKNZGU-YADHBBJMSA-N 486.642 2.187 30 10 JEEE CCN(CCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CCOC2)C1)S(C)(=O)=O 1746309003 CXILKLULYIHLHZ-JOCHJYFZSA-N 458.588 2.105 30 10 JEEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)COc2ccc(F)cc2)CC1 1748713153 OPNOMZLLEOULSH-UHFFFAOYSA-N 465.533 2.349 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(CC)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1748805812 WMYHADZOIMRTPD-YKSBVNFPSA-N 494.658 2.152 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@@](C)(O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1748823760 BFMHQJLRBBEPIA-XMSQKQJNSA-N 464.563 2.030 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3OCC)n2Cc2ccc(NC(C)=O)nc2)CC1 1749000213 PKZCLKRUZMPCOW-UHFFFAOYSA-N 489.580 2.413 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H](OC)C(C)(C)C)CC1 1749016070 YMYLNMVXCFWWSQ-LJQANCHMSA-N 486.642 2.297 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1749123198 BYQWTYVPOUUOIP-UYAOXDASSA-N 461.588 2.017 30 10 JEEE C=C(C)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(CCOCC)CC1 1749175362 WSZNQKIANUDNGK-UHFFFAOYSA-N 461.636 2.281 30 10 JEEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1749235509 RSEXTUPHZIPCMY-QHCPKHFHSA-N 474.631 2.163 30 10 JEEE C=CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(CCS(C)(=O)=O)C1CC1 1749424179 CFGUFSKLNBXPBD-UHFFFAOYSA-N 456.572 2.172 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCN(CC)C1 1749553063 DVMNLPCAFSWAEQ-UYAOXDASSA-N 494.687 2.207 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)NC(CC)CC)nnc2N2CC(=O)N(C)[C@H](C)C2)cc1 1749683360 QTYDJKWEBBGHSI-QGZVFWFLSA-N 454.575 2.477 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N(C)Cc1ccc2c(c1)OCO2 1749736805 PRDVNJYLLACHIA-UHFFFAOYSA-N 455.540 2.230 30 10 JEEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cc2ccccc2s1 1760175535 LSJDFIZTGQBNET-GOSISDBHSA-N 459.597 2.138 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1cccc(Cl)c1C)[C@@H]1CCS(=O)(=O)C1 1760182169 HOOKAODDMHOWJT-QGZVFWFLSA-N 463.991 2.053 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CCS(=O)(=O)Cc1ccccc1 1760208899 NCKWUIUNGIREJC-UHFFFAOYSA-N 476.562 2.003 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](OCC)c1ccccc1 1760295788 WILUYSSKAMHMDC-ZFGGDYGUSA-N 487.626 2.381 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@]2(CCCOC2)C1 1760412523 MUWPGNSHEBPJFZ-GCJKJVERSA-N 467.636 2.220 30 10 JEEE C=CCCOCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(C)C(=O)[C@H]1C 1760445551 NNDIXIMTUOCZDE-MRXNPFEDSA-N 460.966 2.121 30 10 JEEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCSCC1 1760464083 YOFNLKLJMLDUSL-QGZVFWFLSA-N 452.625 2.258 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(F)cc2Br)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1760517907 BOMXBXYXSPRXHP-LBPRGKRZSA-N 488.383 2.018 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)C[C@H](C)c1nccs1 1760520870 CDJROEBEORYKTD-HNNXBMFYSA-N 478.582 2.191 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1C[C@@H](OC)C(C)(C)C1 1760552906 FOMYBTXTYQBJBK-LJQANCHMSA-N 462.572 2.178 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc3cccnc23)nnc1N1CCC[C@@H](CNC(C)=O)C1 1760552926 GKTWEIZPUZRZOA-IBGZPJMESA-N 482.610 2.447 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@](F)(C#N)C1 1760555786 NJSPJFKLOFOVOE-JTSKRJEESA-N 496.609 2.435 30 10 JEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CC[C@@H](c2ccccc2C)C1 1760557154 BJNXUNOEZLRSAV-LJQANCHMSA-N 457.600 2.304 30 10 JEEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1760566671 ZTQUPBIBMDWQCP-DLBZAZTESA-N 491.630 2.402 30 10 JEEE CC(C)CCN(CCC#N)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(O)CCCC1(C)C 1761077646 DXKFVLDNRTUKKM-WMZHIEFXSA-N 496.678 2.318 30 10 JEEE CN(C[C@@H]1CCOC1)c1nnc(COc2ccc(C#N)cc2)n1CC1(CS(C)(=O)=O)CC1 1768813111 AHOKVDSNYHTKPZ-SFHVURJKSA-N 459.572 2.026 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)CN2CCN(c3nc(O)c4ccccc4n3)CC2)nc1C 1859431374 WKCPBRJIJLXQAI-UHFFFAOYSA-N 468.539 2.204 30 10 JEEE COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2CCCNC=O)cc1 1862419086 QOEHLRLZRDJCQZ-IBGZPJMESA-N 458.417 2.466 30 10 JEEE Nc1cccc(C(=O)C2=C(O)C(=O)N(CCCN3CCCC3=O)[C@@H]2c2ccc(O)c([N+](=O)[O-])c2)c1 1862563209 XXFRXWWUARMVOE-OAQYLSRUSA-N 480.477 2.473 30 10 JEEE CC(C)(C)OC(=O)N(CCC(=O)N[C@H](CO)C(=O)Nc1cccc(C#N)c1)Cc1ccncc1 1867084598 DLHSEPWIEZJVJQ-HXUWFJFHSA-N 467.526 2.196 30 10 JEEE C#CCOc1cn(C[C@@H](c2ccc(O)cc2)N(C)C)c(CN2CCC(N(C)C)CC2)cc1=O 1870561627 VJFBJZSSHRRDEQ-DEOSSOPVSA-N 452.599 2.395 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H](CO)NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(Cl)c1 2255542447 RQOIVQSSARMFBA-AWEZNQCLSA-N 454.760 2.255 30 10 JEEE CC(C)(C)OC(=O)N[C@@](C)(CC(F)F)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2256602357 YOUCYGKBKYNFDD-SFHVURJKSA-N 462.328 2.136 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(CNC(=O)[C@H](O)[C@H](C)NC(=O)OC(C)(C)C)s1 2256621006 PJMVYQYPZKVRLJ-XJKSGUPXSA-N 454.398 2.246 30 10 JEEE C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccc(B2OC(C)(C)C(C)(C)O2)s1 2256627958 CWJDFRLOQVHBMV-CZUORRHYSA-N 454.398 2.280 30 10 JEEE CC(C)(C)OC(=O)NC[C@H](CO)C(=O)Nc1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)n1 2256668416 AGXMYKOJSCOARE-GFCCVEGCSA-N 455.748 2.106 30 10 JEEE Cn1nc(C(=O)N[C@H](CNC(=O)OC(C)(C)C)C2CC2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2267184501 NCEFIFKCFKANAK-CYBMUJFWSA-N 468.791 2.406 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C[C@H]1CCO 2267479118 IAFJJJSYIHKEKU-OAHLLOKOSA-N 466.409 2.491 30 10 JEEE C[C@@H](NC(=O)CC[C@@H](O)CNC(=O)OC(C)(C)C)c1nscc1B1OC(C)(C)C(C)(C)O1 2268643875 MEQBHYKJCXEQAS-ZIAGYGMSSA-N 469.413 2.285 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2COC[C@@]2(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C1 2268678873 ANWSUJJJAKRGPU-ZSEKCTLFSA-N 465.381 2.264 30 10 JEEE C[C@@H]1C[C@@H](C)[C@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)N(C(=O)OC(C)(C)C)C1 2268725408 VRVTYKOFMBRBKB-MGPQQGTHSA-N 466.413 2.479 30 10 JEEE Cn1ncc(C(=O)NC[C@@]2(F)CCCN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2281814989 NPPALMHKXBQJFG-QFIPXVFZSA-N 466.363 2.188 30 10 JEEE Cn1cc(C(=O)N2[C@H]3CCC[C@H]2CN(C(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)n1 2281965604 KTQRGOOXHCEQPT-HOTGVXAUSA-N 460.384 2.333 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@]1(F)C[C@H](CNC(=O)OC(C)(C)C)C1 2282039504 WGHJUDCXWCVRMX-CAJLXGCNSA-N 466.363 2.092 30 10 JEEE CC(C)(C)OC(=O)N1[C@H](CNC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)COC1(C)C 2282172143 SOHSKOIEMGTZTJ-OAHLLOKOSA-N 461.368 2.483 30 10 JEEE CC(C)(C)OC(=O)NCC12CC(CNC(=O)c3coc(B4OC(C)(C)C(C)(C)O4)c3)(CO1)C2 2282529372 FMYHTWKQHHLMIC-UHFFFAOYSA-N 462.352 2.383 30 10 JEEE C[C@@H](CNC(=O)c1occc1B1OC(C)(C)C(C)(C)O1)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 2282551692 FMCHUYSVRLGAFC-NPMXOYFQSA-N 464.368 2.317 30 10 JEEE Cn1cc(C(=O)N[C@@]23CCCN(C(=O)OC(C)(C)C)C[C@@H]2C3)c(B2OC(C)(C)C(C)(C)O2)n1 2282577328 CVFSRTREKVRATE-NPMXOYFQSA-N 460.384 2.239 30 10 JEEE Cc1c(C(=O)N(C)C2CCN(C(=O)OC(C)(C)C)CC2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282595296 RTJXFIPSQDORSK-UHFFFAOYSA-N 462.400 2.499 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2O)[C@@H](C#N)C1 2282884184 LDFGUOPLOXIPCV-INIZCTEOSA-N 457.336 2.276 30 10 JEEE CC(C)(C)OC(=O)N1[C@H](C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)C[C@H]2OCC[C@H]21 2283966136 UAPMLLAWELLZFU-OWCLPIDISA-N 479.408 2.225 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)[C@@H](C(F)(F)F)C1 2283967253 ANPPJDKJKNPYJJ-QWRGUYRKSA-N 492.329 2.243 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)N2CCc3sc(B4OC(C)(C)C(C)(C)O4)cc3C2)C1 2284132423 FVZLQRGKDWHRRE-QHCPKHFHSA-N 478.420 2.304 30 10 JEEE CN[C@](C#N)(Cn1cnc(I)c1I)[C@H]1CC1(F)F 2327274294 JHYKWQJBHQTSAM-HZGVNTEJSA-N 478.022 2.229 30 10 JEEE COC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1N=Cc1cc(OC)ccc1OC 2329035194 ZSCNLYRBPNZVPH-HNNXBMFYSA-N 461.544 2.167 30 10 JEEE CN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn1C)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1F 2343638306 BAKTWBJRDDARND-RDJZCZTQSA-N 451.348 2.354 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1[C@H]2CC[C@@H]1C[C@H]2CNC(=O)OC(C)(C)C 2359268610 YJAJZDILXFUDDF-UXLLHSPISA-N 460.384 2.237 30 10 JEEE C=CCN1C(=O)N[C@H](c2ccsc2)C(C(=O)OCC)=C1CN1CCN(C(=O)NCC)CC1 36016891 MGQZBTDNYXBGSC-LJQANCHMSA-N 461.588 2.165 30 10 JEEE N#C[C@@H]1C(=O)Nc2nc(NCc3ccc4c(c3)OCCO4)[nH]c(=O)c2[C@H]1c1ccc([N+](=O)[O-])cc1 72472512 IDAQJRQJYBTPJA-YJBOKZPZSA-N 474.433 2.285 30 10 JEEE CC(=O)OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)C[C@H]1OP(OCCC#N)N(C(C)C)C(C)C 97973656 RSZRWJCRCUFCCJ-IWBDPYAQSA-N 470.463 2.048 30 10 JEEE COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2cc(F)c(F)c(F)c2)c(=O)n1Cc1ccccc1 524410646 KLFNUAWLVXKHCK-CQSZACIVSA-N 487.503 2.030 30 10 JEEE C=CCNS(=O)(=O)c1ccc(Cc2nc([C@H]3COCCN3C(=O)OC(C)(C)C)no2)s1 904703787 SWFLBFDQXQXMJX-CQSZACIVSA-N 470.573 2.495 30 10 JEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)OCC(=O)N3CCO[C@H]4CCCC[C@H]43)nnc12 918817256 DERXRMIFLRMFNS-MOPGFXCFSA-N 497.577 2.036 30 10 JEEE Cc1nn(CCO)c(C)c1C=NNc1nc(SCC(=O)NCCc2ccc(Cl)cc2)n[nH]1 1084028480 ALTXSBAXDOTWCD-UHFFFAOYSA-N 476.994 2.161 30 10 JEEE COCCSc1nnc(NC(=O)CSc2n[nH]c(NN=Cc3cc(OC)ccc3O)n2)s1 1084546531 XBDKWIGABCAOAT-UHFFFAOYSA-N 496.600 2.286 30 10 JEEE Cc1nnc(COc2ccc(NC(=O)C[C@H](C)/N=C3/NS(=O)(=O)c4ccccc43)cc2)o1 1136674351 FXJRKRRIFDWWFN-ZDUSSCGKSA-N 455.496 2.413 30 10 JEEE C=CCn1cc(C(=O)N2CC[C@@H](c3ccc(OC)c(F)c3)[C@@H](NC(=O)C(F)(F)F)C2)nn1 1146280020 HREVFFJTNKODNS-ZFWWWQNUSA-N 455.412 2.289 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCS(=O)(=O)CC 1286299787 YXLPHTPQSLWKID-MRXNPFEDSA-N 453.609 2.285 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@]1(O)CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1286387797 IIWATWAUWSJJJR-LDBYXDLTSA-N 463.991 2.171 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1Cc1cc(Cl)ccc1OC)[C@H]1CCS(=O)(=O)C1 1286389942 TXRDGEAZEAMFSF-KRWDZBQOSA-N 472.958 2.072 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1Cc1cccnc1OC)[C@H]1CCS(=O)(=O)C1 1286392121 GDJRHKMJYGZTEB-IBGZPJMESA-N 469.542 2.087 30 10 JEEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1(S(C)(=O)=O)CCCC1 1286436970 COPQTWOAQXCGET-UHFFFAOYSA-N 492.671 2.364 30 10 JEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N(C)C[C@H](c1cccs1)N1CCOCC1 1286493888 HKQCEMYEKVXPFV-LJQANCHMSA-N 488.683 2.452 30 10 JEEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1286611689 NXIPLVRIVKTPAD-RBUKOAKNSA-N 457.579 2.162 30 10 JEEE C=CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1286704075 YVCWKAKWLGBNRO-UHFFFAOYSA-N 454.623 2.240 30 10 JEEE C=CCNC(=O)Cn1c(N(C)C2CCN(C(=O)OC(C)(C)C)CC2)nnc1[C@]1(OCC)CCOC1 1286793341 WQRJCUDSXIGUET-DEOSSOPVSA-N 492.621 2.068 30 10 JEEE CC(=O)NC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cccs2)CCO1 1286944363 GUCVINLICKCMCP-LJQANCHMSA-N 452.540 2.180 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CCOC1CCCCCC1)[C@H]1CCS(=O)(=O)C1 1300483880 ORFLAHKBLAZZNY-RDPSFJRHSA-N 494.658 2.296 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1ccc(F)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1300499880 ZEJHGUDZEOJKIB-GOSISDBHSA-N 457.506 2.217 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@]1(O)CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1300505122 XXOMGBVINSVXAH-JXALWOEJSA-N 472.611 2.343 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1CCCNC(=O)C1CCC1 1300650122 YPHKWVLRHVNFKJ-HXUWFJFHSA-N 452.534 2.315 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2cn3ccccc3n2)nnc1N(C)CCS(=O)(=O)CC 1300891335 KFAPUILJXYRDDC-AVRDEDQJSA-N 472.615 2.369 30 10 JEEE C=CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1301185940 ORPYFJWWMGGIQA-INIZCTEOSA-N 456.572 2.172 30 10 JEEE C=CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1301187530 WYEODYSVOXFXKF-LJQANCHMSA-N 459.620 2.432 30 10 JEEE C=CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1301435545 BLYRMOPFRLSLJU-SFHVURJKSA-N 483.541 2.363 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1301501448 XFWDMNXXVYFAFI-MSOLQXFVSA-N 462.595 2.168 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H]2CCCOC2)nnc1N1CCC(NS(C)(=O)=O)CC1 1301528778 FBSGSJWLZNFPEA-LJQANCHMSA-N 475.615 2.303 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1301577611 QRSXGZYFXWYXDZ-CYBMUJFWSA-N 465.885 2.362 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1301593924 XUTFZGCTZDNSBK-TZIWHRDSSA-N 471.583 2.335 30 10 JEEE C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)NC[C@@H](O)[C@@H](C)O)ccc1Cl 1301669615 DWEAMRASAUBMII-FZKQIMNGSA-N 456.923 2.332 30 10 JEEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCO[C@H]2C(C)C)CC1=O 1301886828 CCNRYUHNLQNCBU-UNMCSNQZSA-N 452.559 2.173 30 10 JEEE Cc1cc(C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)nn1-c1cccc(C#N)c1 1348683021 FTBOWRDVRXKRQC-UHFFFAOYSA-N 451.508 2.326 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccc(OC(F)F)cc1)[C@H]1CCS(=O)(=O)C1 1358964325 XIHWTERQUJBCLN-SJORKVTESA-N 466.510 2.058 30 10 JEEE C#CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCC1CC1)[C@@H]1CCS(=O)(=O)C1 1358967208 GAGWDOHYDXFQPD-CEXWTWQISA-N 477.631 2.476 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2ccc(OC)cc2)CCC1 1359010054 FLTVNQHTVWFCPA-OAQYLSRUSA-N 487.626 2.201 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCc2ccc(N(C)C)cc2)CC1 1359044788 ORCQKMWTJBRVQM-NRFANRHFSA-N 450.587 2.057 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@](C)(O)c2ccsc2)CC1 1359046759 FAPJGUQITVQCFD-DEOSSOPVSA-N 481.626 2.075 30 10 JEEE C#CCSCCn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1359059973 GEOYNZRPPYNCJQ-QHCPKHFHSA-N 496.681 2.181 30 10 JEEE C=CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C)N2CCN(CC)CC2)CC1 1359173169 XSSBGFVYBVYIPR-LJQANCHMSA-N 452.607 2.354 30 10 JEEE C=CCCCn1c(N2C[C@H](C)[C@@H](N3CCCN(C(C)=O)CC3)C2)nnc1[C@@]1(OCC)CCOC1 1359221268 WSXDQLDNJBFBBY-UWDQQESISA-N 474.650 2.275 30 10 JEEE C=CCN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@]1(N2CCOCC2)CCSC1 1359243712 BOBOGNLRTPQWJU-OAQYLSRUSA-N 462.645 2.100 30 10 JEEE C=CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCS(=O)(=O)CC1CC1 1359245133 DDAVTNNTPSPOAE-CALCHBBNSA-N 453.609 2.496 30 10 JEEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1nncn1C 1359276608 JYOWYVBESAJBBC-UHFFFAOYSA-N 467.555 2.354 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1359291554 VGJCGVYTTAFUET-UHFFFAOYSA-N 496.616 2.080 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1cnn(C)c1C 1359327619 GOANTSDAMAQBOY-UHFFFAOYSA-N 482.408 2.315 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1359334502 IGNWJPNNLRQUHS-RBUKOAKNSA-N 472.615 2.248 30 10 JEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1359343542 VLLQAPOQRMMTDA-DLBZAZTESA-N 466.633 2.250 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1noc(CC)n1 1507536183 BDFFGBOEPUGPKB-HZPDHXFCSA-N 459.551 2.233 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1CC1(C)CC1)[C@@H]1CCS(=O)(=O)C1 1507624585 BTZQXHBEKYKZRV-OAHLLOKOSA-N 466.405 2.473 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](C)N1CCc2ccccc21 1507701889 CNHRTUKLSWAHJA-LJQANCHMSA-N 459.554 2.463 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(N2CCOCC2)CCSC1 1507705773 GLBYDWBQDOHPJX-DEOSSOPVSA-N 466.611 2.111 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCC=C)CC1 1507734016 FSDAXXMCSWCPAL-UHFFFAOYSA-N 455.584 2.281 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2c(F)cc(F)c(F)c2F)CC1 1507737607 APSPRDKUUAFDLI-AWEZNQCLSA-N 465.451 2.353 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3CC)n2CCN2CCOC[C@@H]2C)CC1 1507741118 MATNUUHCTIWBSM-NRFANRHFSA-N 494.640 2.106 30 10 JEEE C=C(Br)Cn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@@H](C(=O)NC)C1 1507788919 UOEJNCITIKINOK-OAHLLOKOSA-N 456.291 2.007 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CCCCCC1 1507821205 WGXBNZYETLMTKR-GOSISDBHSA-N 455.625 2.099 30 10 JEEE C=CC[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCN1CCOCC1)c1ccccc1 1507923949 GIKGZIHMJZQFDF-FCHUYYIVSA-N 473.643 2.309 30 10 JEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cc(OC)c(OC)cc1SC 1508059467 VDNHDUPQNGYMGY-GOSISDBHSA-N 497.643 2.173 30 10 JEEE C=CCOc1ccccc1Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](NC(C)=O)C1 1508109813 URDRQYNMYJZLFO-HXUWFJFHSA-N 452.559 2.119 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(OC)c(OC)c2OC)C1 1508126265 UBLSZAUFAGYIAA-IRXDYDNUSA-N 457.531 2.085 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@H]2CCS(=O)(=O)C2)C1 1508126376 HQYNBVXMTMHSTC-YLJYHZDGSA-N 462.572 2.082 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N(C)[C@H]1C[C@H](OCC)C1(C)C 1508141345 VJAKLHNYTLPVLS-ROUUACIJSA-N 479.603 2.246 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1508144949 VGJBWUYSVXBQOH-IBGZPJMESA-N 458.632 2.175 30 10 JEEE CCC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(C(N)=O)nc2)CCN1CCOC 1514376433 FXOXYWNMIGTISK-QFIPXVFZSA-N 488.596 2.296 30 10 JEEE CN(CCN1CCOCC1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCC[C@@H](O)C1 1517330830 BTCSNXMDRLEKSH-NHCUHLMSSA-N 454.575 2.048 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2cccn2C)n1C[C@H]1CCN(S(C)(=O)=O)C1 1519129725 BYGCPOAVLWJKKA-NRFANRHFSA-N 497.625 2.090 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2CCN(CC)C2)c1 1539045899 JGSGMXMQIAULIK-HFMPRLQTSA-N 480.613 2.400 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CCSC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1539225839 QLOACHUXICTMGC-HNNXBMFYSA-N 459.519 2.144 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)cc1O[C@@H]1CCOC1 1539370277 TWIHQMUCGIOLEK-VQTJNVASSA-N 458.584 2.164 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2CC2(O)CCOCC2)CC1 1539436227 NTLLLLMJJCKQDR-UHFFFAOYSA-N 490.402 2.013 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(F)cc3Br)n2Cc2ccn(C)n2)CC1 1539436685 YWUIRLFIWBINOG-UHFFFAOYSA-N 458.339 2.384 30 10 JEEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)COc2ccc(F)cc2)CC1 1539520804 UNWBUTOEWLWTHW-UHFFFAOYSA-N 494.596 2.497 30 10 JEEE C=C(Br)Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)C[C@H](C)C(=O)NC 1539594217 HUJGEDFYZBJEOE-NSHDSACASA-N 460.336 2.321 30 10 JEEE C=C(Br)Cn1c(N2CC[C@@H]3OC(=O)O[C@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1539609615 QJZLYAQQFMSVAS-SUNYJGFJSA-N 457.325 2.341 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](C#N)C1 1539629623 BBOSJUCLTXFGDG-WCIQWLHISA-N 488.589 2.296 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)c1cc(C)oc1C 1539668737 DENOXYSQRBIECF-SIKLNZKXSA-N 481.619 2.131 30 10 JEEE C=CCCOCCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(C(=O)C(C)C)CC1 1540039673 DWNFDSAWWUOEKH-UHFFFAOYSA-N 451.575 2.414 30 10 JEEE C=CCn1nc(C)c(-c2cc(C(=O)NCCCN3C(=O)NC4(CCCCC4)C3=O)n[nH]2)c1C 1540714875 XKMIZVXKCZRKPA-UHFFFAOYSA-N 453.547 2.451 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCc2cc(OC)c(OC)c(OC)c2CC1 1540870379 LWQLTEQRPJWAPG-LJQANCHMSA-N 485.585 2.453 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(OC)cc3)n2CC2CCS(=O)(=O)CC2)C1 1540896396 LARQWWAMSSKPPN-NRFANRHFSA-N 476.599 2.472 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N(C)[C@H](C)c1ccc([S@](C)=O)cc1 1540901467 FAMXLBPCJVAELT-MKTHODDLSA-N 474.612 2.271 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1540902671 OETBVSBYTMSVAP-HXUWFJFHSA-N 479.647 2.002 30 10 JEEE C#CC1CCN(C(=O)c2cc(S(=O)(=O)NC[C@@H]3CCCO3)ccc2Br)CC1 1557169154 LITZEEZCZHNIKD-HNNXBMFYSA-N 455.374 2.392 30 10 JEEE C#CCN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H](C)N1CCN(CC)CC1 1588261938 ACNWKKVYUUWICG-IBGZPJMESA-N 472.037 2.347 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@H]2CC=CCC2)CC1 1588761961 CQVQBTQMHFIQIO-HXUWFJFHSA-N 468.627 2.307 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H](C(CC)CC)N2CCOCC2)CC1 1588913390 JGGALFIMCOHXCF-QHCPKHFHSA-N 481.645 2.376 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CCC2CCN(CC(F)(F)F)CC2)CC1 1588947729 UZYUJQQBPDNURM-UHFFFAOYSA-N 454.541 2.471 30 10 JEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 1589060591 UKRGNTWSFPHIOJ-SJORKVTESA-N 462.620 2.337 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccccc2OC)nnc1N(C)CC(=O)N1CCOCC1 1589567200 BSGUKMAWJFQBOJ-CYFREDJKSA-N 485.585 2.142 30 10 JEEE C=C(C)COCCn1c(-c2cccc(C)n2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1593735281 BGQVEQAEACVMFL-NRFANRHFSA-N 467.618 2.374 30 10 JEEE C=CC[C@H](Cn1c([C@@H](C)CC)nnc1N1CCN(C(=O)Cn2cnnn2)CC1)c1ccccc1 1594533697 FJBNQUBMRBZVCF-PZJWPPBQSA-N 463.590 2.487 30 10 JEEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 1594625553 GVUWTVYVEXZHGI-FCHUYYIVSA-N 473.643 2.392 30 10 JEEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 1594669317 WEVGDHVZGGHWRL-UHFFFAOYSA-N 460.604 2.284 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCN(C(C)=O)C1 1595084233 IJHUDLRSPVNHRH-PGRDOPGGSA-N 499.641 2.211 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)C(=O)NC 1595161594 FLKCKEOTSKVXEF-OAHLLOKOSA-N 451.618 2.207 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(C)COCCO1 1595303366 RIKUXLGHMNYJEN-MBSDFSHPSA-N 481.594 2.031 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](c2ccc(Cl)cc2)C1 1595755212 TZOAVHJPTSSPJG-IBGZPJMESA-N 494.017 2.346 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CC[C@H](c2cnn(C)c2)C1 1595811948 IEUDNCBJQIPLBB-IBGZPJMESA-N 470.599 2.206 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 1595812107 NHABRKHMVWAVIC-UHFFFAOYSA-N 463.579 2.306 30 10 JEEE Cc1nsc(N2CCN(C(=O)c3cccc(S(=O)(=O)N4CCCCC4)c3)CC2)c1C#N 1595958137 DFSQXYFHZOEJEH-UHFFFAOYSA-N 459.597 2.460 30 10 JEEE COC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)OC(C)(C)C)CC1 1618904629 ATMLYGJQDAZXOX-UHFFFAOYSA-N 485.545 2.142 30 10 JEEE C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@@H](C)NS(=O)(=O)c1cnn(C)c1 1627692209 JIYDMOLEIHNEQN-GFCCVEGCSA-N 459.341 2.203 30 10 JEEE C#CCOCCN(C)C(=O)c1cccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1 1649056598 NHLDZDIBELQBTC-UHFFFAOYSA-N 459.543 2.058 30 10 JEEE N#Cc1cnn(-c2ccccc2)c1NC(=O)CN1CCCC[C@H]1COC(=O)N[C@@H]1CCOC1 1658561551 AHWKPRSKSGKUKP-QUCCMNQESA-N 452.515 2.052 30 10 JEEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)Nc1ccc(S(C)(=O)=O)c(C(F)F)c1 1670201645 GAJYMPZWMNSMQH-GFCCVEGCSA-N 450.471 2.432 30 10 JEEE C#CCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1689973861 SZGFVLGQIMYNJN-CTNGQTDRSA-N 468.583 2.002 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC(C)(C)c1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 1689978493 WOKYORCMJYUKSD-IBGZPJMESA-N 487.626 2.029 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccc(CSC)c2)CC1 1690144255 RJKJHPNMYPNVCK-HXUWFJFHSA-N 466.611 2.106 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)ccc3C)n2CC[C@@H]2COCCO2)CC1 1690152439 LEUQKJUFWDBZOK-JOCHJYFZSA-N 481.597 2.245 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2OC)n1CCN/C(O)=C1\N=CC=CC1=O 1690207508 AOIXOZYUXLGGOW-RMPPEFSYSA-N 460.538 2.396 30 10 JEEE C=C(C)Cn1c(N2CCN(C[C@@H]3CN(C(C)C)CCO3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1690298167 RBGMPBROGQHUGR-RDGATRHJSA-N 476.666 2.126 30 10 JEEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](O)(c2ccccc2F)C1 1690464925 NHMNGMCZABKXFY-OFNKIYASSA-N 493.605 2.204 30 10 JEEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)Nc2ccc(C)cn2)CC1 1690507805 XCUONKAQUKLFDQ-LJQANCHMSA-N 467.574 2.380 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C)N1CCN(CC)CC1 1690559424 FUVDIHGUIDFJMK-REWPJTCUSA-N 476.629 2.319 30 10 JEEE Cc1nn(C)c(N2CCN(c3nnc(CN4CCCC4=O)n3CC(C)(C)C(C)C)CC2)c1C#N 1693406052 HMXVVKKPBSMBPR-UHFFFAOYSA-N 467.622 2.323 30 10 JEEE COc1ccccc1N1CC[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)C[C@H](C)C#N)C1 1697600770 DQBMHORRGQVXJV-KURKYZTESA-N 475.619 2.019 30 10 JEEE COC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CCN2[C@@H](C)CC[C@H]2C)CC1)OC 1697755299 GGMRWVDBRWPOGO-IMSXRSKXSA-N 481.645 2.473 30 10 JEEE COCC1(CCn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N2CCO[C@@H](C#N)C2)CCC1 1697796410 AVRYJROSPCNZSU-IBGZPJMESA-N 488.614 2.131 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1CCCN1CCCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1705563639 BKPBVRSZGPYKNM-PMACEKPBSA-N 456.616 2.231 30 10 JEEE C#CCSCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)CCNS(C)(=O)=O 1705654703 QVAVBJDNANFNLN-OAHLLOKOSA-N 467.686 2.483 30 10 JEEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCO[C@H](Cn2cccn2)C1 1705680391 AAGNOIIGJMYQNZ-CVEARBPZSA-N 455.357 2.013 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CC[C@](C)(CC)O2)CC1 1705769537 VNGWWLIVSDJPCC-WFXMLNOXSA-N 453.609 2.115 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2ccc(C)cc2)CC1 1705895050 RYSDALUGGJZVRR-UHFFFAOYSA-N 453.591 2.134 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCC(N(CC)CC)CC1 1705905907 LIIIOSBJAXNXFP-UHFFFAOYSA-N 450.591 2.129 30 10 JEEE C=CCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC[C@H](CNC(C)=O)C2)cc1 1705911300 DRNLTMHYXYXSSS-TZIWHRDSSA-N 452.559 2.195 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)NC)CC1 1705914316 LBPBXHSJVBMGSH-FPOVZHCZSA-N 470.574 2.077 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 1705932170 NVHYCMNSUWCULI-HNNXBMFYSA-N 496.519 2.393 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1C[C@@H](c1ccccc1)N1CCCC1 1706863914 DECKQPYTHDEAHD-RXVVDRJESA-N 471.631 2.465 30 10 JEEE CCOCc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1C[C@@H](C)CN1CCN(CC)CC1 1710729728 IFSGJDYKEFLEQG-NRFANRHFSA-N 498.651 2.426 30 10 JEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(=O)c2ccccc2C)CC1 1722324400 QXRYRQIZELQKPG-SFHVURJKSA-N 472.615 2.009 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1Cc1nccc(C(F)F)n1)[C@H]1CCS(=O)(=O)C1 1722360626 BHHKCWCLVGARJL-KRWDZBQOSA-N 483.504 2.219 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1CC[C@H](C)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1722361088 KVALJYDEGPXGET-VQTJNVASSA-N 456.616 2.231 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCOc1ncccc1F)[C@H]1CCS(=O)(=O)C1 1722365221 LXWGYSIWJKDRSY-IBGZPJMESA-N 487.532 2.248 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1CC(C)(C)N1CCC(OC)CC1)[C@@H]1CCS(=O)(=O)C1 1722366784 SMCTWRUDNOULGX-RTBURBONSA-N 465.664 2.308 30 10 JEEE C#CCN(c1nnc(COCC)n1C[C@@H]1CCCN1Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1722369534 AOPYSTREHYRPJL-VXKWHMMOSA-N 471.627 2.106 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H](C(C)C)N2CCOCC2)CC1 1722429669 PYGQUYREOKPMKE-DEOSSOPVSA-N 493.656 2.259 30 10 JEEE C#CCSCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1722455975 XBZZIRWIBWODFS-KRWDZBQOSA-N 494.639 2.351 30 10 JEEE C=C(Cl)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C2CC2)C(=O)C1 1722552742 UIPJDJAOFWGEPX-MRXNPFEDSA-N 466.970 2.150 30 10 JEEE C=C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC2(CS(C)(=O)=O)CC2)CC1 1722561268 MTBVFKZOZIAPMJ-UHFFFAOYSA-N 493.655 2.177 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1722695989 WWKGQFMYOLISJF-QGZVFWFLSA-N 469.981 2.421 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H]3CCCOC3)nnc2N2CCN(CC(=O)NC(C)C)CC2)cc1 1722706552 VTWNHOKHDPTLIH-JOCHJYFZSA-N 482.629 2.432 30 10 JEEE C=CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1722738411 JBCJFKJYMSEBRM-QGZVFWFLSA-N 498.700 2.367 30 10 JEEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C2CCOCC2)CC1 1722745006 ZROOPPQZWQKOTA-ICSRJNTNSA-N 451.637 2.222 30 10 JEEE CC(C)(C)Cc1nnc(N2CCN(c3oc(C4CC4)nc3C#N)CC2)n1CCCS(C)(=O)=O 1722948666 FDYDYYHQEMMDIE-UHFFFAOYSA-N 475.619 2.365 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1CCCN1CCc2ccccc2C1 1723909063 AMHZERIUONOWFR-QZTJIDSGSA-N 459.620 2.075 30 10 JEEE CCc1ccc(-c2nnc(N3CCN(c4c(C#N)c(C)nn4C)CC3)n2C[C@H](COC)OC)cc1 1727384130 BRVRSHQRZWLALG-OAQYLSRUSA-N 478.601 2.409 30 10 JEEE CCN(CC)C(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)C(=O)NC)CC1 1728360974 GODDTMVSJWPZRR-UHFFFAOYSA-N 466.590 2.173 30 10 JEEE CCS(=O)(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C2CC2)N(C)C)CC1 1729183688 DIPYQAIIOZGCQM-QFIPXVFZSA-N 486.642 2.472 30 10 JEEE C#CCN(c1nnc(C(C)C)n1Cc1ccc(CN2CCC(O)CC2)cc1)[C@@H]1CCS(=O)(=O)C1 1740616458 BKYLLKJIJJQYFY-JOCHJYFZSA-N 485.654 2.033 30 10 JEEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CCc1ccsc1)[C@@H]1CCS(=O)(=O)C1 1740616902 IRGNRGXLAMGZRI-DENIHFKCSA-N 478.640 2.250 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1CC[S@](=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1740621924 QGERKIOUEZKDGS-INZIPBBXSA-N 478.640 2.128 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1cccnc1)[C@@H]1CCS(=O)(=O)C1 1740628965 XMADVMDVPYVNTN-NJDAHSKKSA-N 471.627 2.461 30 10 JEEE C#CCN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CC(=O)N(CCOC)C1 1740675762 HYCSGHRVUFQWCT-GBESFXJTSA-N 474.606 2.003 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc(C)o3)n2C[C@H]2CCCCS2(=O)=O)n1 1740687851 LWWQDGSDPDOZDF-HXUWFJFHSA-N 486.598 2.297 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCC2CC(OCC)C2)CC1 1740697473 FTZREMRASIANEB-UHFFFAOYSA-N 471.627 2.309 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCN2CCCCCC2)CC1 1740703377 QEFRYMVUUVSPFS-SANMLTNESA-N 486.661 2.161 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)CCC)CC1 1740762557 UWRDXGVWJOTBOB-UEXGIBASSA-N 479.647 2.047 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCN(CC(C)C)C(=O)C2)nnc1[C@]1(OCC)CCOC1 1740765631 AZNRRUZZPVOUOP-IZIIKQMZSA-N 461.607 2.216 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCS(=O)(=O)CC1 1740850286 FIOWRFLAFLRWHK-QGZVFWFLSA-N 483.635 2.424 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(C(=O)OCC)CC1 1740986960 LTIVQJCWUDXBSB-QGZVFWFLSA-N 495.577 2.437 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2CC2CCS(=O)(=O)CC2)c1 1748694356 GDRGMJBXGQZRRT-UHFFFAOYSA-N 492.605 2.145 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1C[C@H](C)CNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1748817315 ISIBXTHSSJXNPD-QZTJIDSGSA-N 467.636 2.264 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@](C)(OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1748820031 XRKUYQOKDFTBBJ-YKSBVNFPSA-N 472.611 2.319 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC(F)F)c(F)c1 1748963121 YSJATGGGWLFXPO-HNNXBMFYSA-N 472.489 2.055 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)c2ncc(C)s2)CC1 1749303705 NMPFVRMXHUXQCW-RDJZCZTQSA-N 466.633 2.336 30 10 JEEE C=CCN(C)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1CC1(O)CCS(=O)(=O)CC1 1749465771 ICIBPDXJEJBCNH-QGZVFWFLSA-N 464.588 2.379 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(N2CCOCC2)c1 1749575313 PSAOQTRBIKCRPB-HXUWFJFHSA-N 457.600 2.244 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@@H](NC(C)=O)C1 1749739509 DQHYAKWGFKECJF-HXUWFJFHSA-N 475.615 2.180 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCc1ccccn1)[C@H]1CCS(=O)(=O)C1 1760180438 FKJXTMCJIDAOCB-FQEVSTJZSA-N 451.552 2.218 30 10 JEEE C#CCN(c1nnc(-c2ccc(Br)s2)n1C[C@@H](F)COC)[C@H]1CCS(=O)(=O)C1 1760182885 KUNKACBSRYSJBC-OLZOCXBDSA-N 491.408 2.380 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H](C)c1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1760188792 DCSPVVSEHJJVSB-UZLBHIALSA-N 468.583 2.299 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC(C)(C)C(=O)NCC 1760200836 USOFTJLYDLURPD-UHFFFAOYSA-N 473.581 2.471 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(F)cc1C(F)(F)F 1760205455 BNMQQJMGZSWMLG-OAHLLOKOSA-N 454.449 2.459 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1Cc1c(Cl)c(C(F)(F)F)nn1C 1760207924 CAVYWCDCQGTBAW-UHFFFAOYSA-N 467.883 2.431 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccccc2C)CC1 1760265568 DTYFJQUKLQZFAU-RUZDIDTESA-N 451.571 2.253 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@]2(O)CCC[C@H]2C)CC1 1760267703 WUWZUJHOOKQCOV-WXTAPIANSA-N 481.597 2.479 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccccc2F)n1CC1(O)CCS(=O)(=O)CC1 1760289241 NEYRGDWFIJKNIH-VGOFRKELSA-N 476.574 2.489 30 10 JEEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)c2ccccc2OCC)CC1 1760347599 MHKIXPNEDLSCSK-UHFFFAOYSA-N 452.559 2.338 30 10 JEEE C=CC[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(OCC(N)=O)CC1)c1ccccc1 1760418117 MUWZECVOTMOGEG-QUCCMNQESA-N 452.559 2.060 30 10 JEEE C=CCCCCn1c(Cc2ccccc2OC)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1760427255 UYNDMLHDPXVLKU-UHFFFAOYSA-N 468.602 2.407 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1760516069 IUOSEIPYDWKBBD-SJORKVTESA-N 470.549 2.354 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Br)c2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1760550554 BDAJIQURFUFDRM-FQEVSTJZSA-N 494.415 2.167 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCC[C@](C)(C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1760558246 JZEKAQBVOGWSLZ-RTWAWAEBSA-N 451.593 2.050 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1760559890 VBICJLULLWGDHU-HZPDHXFCSA-N 453.590 2.073 30 10 JEEE CC(C)(C)NC(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@](F)(C#N)C1 1760770682 CHKMAMQYFMAISK-QHCPKHFHSA-N 469.569 2.199 30 10 JEEE CCCCCCCCC(=O)Nc1nc(N2CCC(C(N)=O)CC2)nn1[C@@H]1CCS(=O)(=O)C1 1870066303 FPEFKEWFAIRNMF-QGZVFWFLSA-N 468.624 2.029 30 10 JEEE CN1C(=O)c2ccc(-n3nnc(C#N)c3NC(=O)c3ccccc3Br)cc2C1=O 1870139726 GOFRLIWXVYCPLZ-UHFFFAOYSA-N 451.240 2.380 30 10 JEEE COc1cc(C(=O)NCC(=O)Nc2c(C#N)nnn2-c2ccc(C)cc2C)cc(OC)c1OC 1870140220 FLMHAVGGDTYHSG-UHFFFAOYSA-N 464.482 2.150 30 10 JEEE C=CCn1cc(OCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c(=O)cc1CSCCO 1870314533 QNGWXKVZSJTFKK-UHFFFAOYSA-N 484.578 2.075 30 10 JEEE CN(C)CC#C[C@@H]1CCCN1C(=O)[C@H]1CCCN1S(=O)(=O)c1cccc(C(F)(F)F)c1 1890984197 HQWJRJPGHKWPIE-IEBWSBKVSA-N 457.518 2.415 30 10 JEEE COc1ccc(-c2ccc(=O)n([C@H](C)C(=O)N3CCC[C@@H](Oc4nccnc4C#N)C3)n2)cc1 1891556857 NLHNNPWHDRFGID-VQIMIIECSA-N 460.494 2.212 30 10 JEEE CC(C)CS(=O)(=O)C1CN(C(=O)[C@H]2SCC(=O)N(C(C)C)[C@@H]2c2ccc(C#N)cc2)C1 1892106696 JZTOYPOGHBHJKA-RTWAWAEBSA-N 463.625 2.233 30 10 JEEE CC(C)NC(=O)[C@H](C)N1CCN(C(=O)[C@H]2SCC(=O)N(C(C)C)[C@@H]2c2ccc(C#N)cc2)CC1 1892246339 CNUWEPHHWCGJRR-NMNUPHIUSA-N 485.654 2.009 30 10 JEEE COc1ccc(-c2ccc(=O)n(CC(=O)N3CCN(c4cccc(C#N)c4)CC3)n2)cc1OC 1892336800 IZDPIANTRSPGFJ-UHFFFAOYSA-N 459.506 2.148 30 10 JEEE COc1ccc(-c2ccc(=O)n(CC(=O)N3CCN(c4ccc(C#N)cc4)CC3)n2)cc1OC 1892337051 ZPSSKJGXBDYCNZ-UHFFFAOYSA-N 459.506 2.148 30 10 JEEE N#Cc1ccc(N2CCN(C(=O)[C@@H]3CCCCN3S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)cc1 1892400149 ITIPWIADPVEMJW-QFIPXVFZSA-N 483.550 2.358 30 10 JEEE C#CCOCCOCC[S@](=O)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 2019030724 RSFIJJPAMXLPLK-NHOCJEJCSA-N 485.558 2.393 30 10 JEEE C=CCn1ncc(NCc2c(I)cnn2C)c(Br)c1=O 2189869840 DDYJRIJNRMMQSI-UHFFFAOYSA-N 450.078 2.142 30 10 JEEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)N(CC(N)=O)Cc2ccccc2)OC1(C)C 2255767344 JZSNHMHJJWNCNH-UHFFFAOYSA-N 464.780 2.315 30 10 JEEE Cc1sc(C(=O)N[C@@H](CO)CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1C 2255852561 GCQNJGBIKBDNNJ-CQSZACIVSA-N 454.398 2.280 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](O)CN1C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2255869771 FQPJZPVHRMYZPM-ZIAGYGMSSA-N 452.382 2.147 30 10 JEEE COC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)Oc1nccc(B2OC(C)(C)C(C)(C)O2)c1F 2266001674 FDWMIPONKDRPMT-IUODEOHRSA-N 454.304 2.354 30 10 JEEE CC[C@](C)(CNC(=O)OC(C)(C)C)N(C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2267128851 UQEYEOHLNOLOMF-JOCHJYFZSA-N 450.389 2.485 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(CCNC(=O)OC(C)(C)C)C(C)C 2267523729 GLRBUASGFNZKMA-UHFFFAOYSA-N 450.389 2.403 30 10 JEEE C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CN(C(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)CCO1 2267537133 ONIKKTLBDGVMDT-UKRRQHHQSA-N 467.397 2.197 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H]1CCOC[C@@H]1NC(=O)OCc1ccccc1 2267601621 YTGWQWYJWYFKPN-UXHICEINSA-N 483.374 2.138 30 10 JEEE CC[C@@](C)(O)CN(Cc1ccccc1)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2267719844 FRJNWMNTTWDZSF-JOCHJYFZSA-N 463.409 2.071 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1NC(=O)[C@H](O)[C@@H](C)NC(=O)OC(C)(C)C 2268632551 LPUFEYKODABCOJ-CXAGYDPISA-N 450.341 2.207 30 10 JEEE CC(C)(C)OC(=O)NCc1nc(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)cs1 2271184230 XVAREMGWWMLMNQ-UHFFFAOYSA-N 463.369 2.120 30 10 JEEE Cc1nc(C(=O)NCC2(O)CCN(C(=O)OC(C)(C)C)CC2)c(B2OC(C)(C)C(C)(C)O2)s1 2282017375 JKTDDBRGDUNVDU-UHFFFAOYSA-N 481.424 2.243 30 10 JEEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1N(C)C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2282051125 GCRLNQVFWUSWRI-WBVHZDCISA-N 462.400 2.437 30 10 JEEE Cc1c(C(=O)N2C[C@@H]3C[C@H](C2)C3NC(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282542755 KNCPMFQYIXITKS-FKEKPDDDSA-N 460.384 2.013 30 10 JEEE CC(C)(C)OC(=O)N(CCO)C1CCN(C(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)CC1 2282628174 SJCFFMOMCHTPIE-UHFFFAOYSA-N 464.368 2.413 30 10 JEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)Nc1ccnc(NC(=O)OC(C)(C)C)c1 2282849655 FHDOXPSDJTWFOC-UHFFFAOYSA-N 479.368 2.262 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)c3nccnc3B3OC(C)(C)C(C)(C)O3)C[C@@]2(C)C1 2283070079 UPLWIQXXUKZHHE-WNSKOXEYSA-N 458.368 2.105 30 10 JEEE C[C@H](OCc1ccccc1)[C@H](NC(=O)c1nn(C)c(Cl)c1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284429420 FHFOEBBQRHECEX-BBRMVZONSA-N 477.754 2.161 30 10 JEEE CC1(C)OB(c2cccnc2C(=O)N2CC(COCc3ccccc3)(C(=O)O)C2)OC1(C)C 2284461084 KWRKQALMSDBZJI-UHFFFAOYSA-N 452.316 2.124 30 10 JEEE COc1cc(C(=O)N[C@@H](COCc2ccccc2)C(=O)O)ccc1B1OC(C)(C)C(C)(C)O1 2284472132 ZWOBMEPWTPQQBW-IBGZPJMESA-N 455.316 2.394 30 10 JEEE Cc1c(C(=O)N2C[C@H]3C[C@]3(CNC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2288261404 SGBSEHPZRGAGIE-CMJOXMDJSA-N 460.384 2.015 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1CC(F)(F)CN1C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2296413146 IHTHJRBEULUBGM-ZDUSSCGKSA-N 468.310 2.150 30 10 JEEE COCCn1c(O)c(C(=O)CN2C(=O)C(=Cc3ccc(OC)cc3)SC2=S)c(C)c(C#N)c1=O 2314625577 IPXHGGLEZSUBOW-UHFFFAOYSA-N 499.570 2.473 30 10 JEEE Cc1nc(I)c(I)n1C[C@@](N)(C#N)[C@@H]1CC1(F)F 2327121551 FGQKKYMRDSRCTM-RCOVLWMOSA-N 478.022 2.277 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C(C)C)n1C 2337398897 WQZDYACEMVSWPU-HNNXBMFYSA-N 450.389 2.307 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C(F)F 2362466649 ZAIYSDHIXRLFKZ-IRXDYDNUSA-N 460.334 2.215 30 10 JEEE CC(C)(C)OC(=O)N1CCC(CO)(CNC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)CC1 2362566762 NPELWSFSPXDJGS-UHFFFAOYSA-N 481.424 2.182 30 10 JEEE CC(C)(C)OC(=O)N1[C@H](CNC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C[C@@H]2COC[C@@H]21 2362574542 LEKZCZKMJOQFJU-YCPHGPKFSA-N 479.408 2.197 30 10 JEEE COC[C@H](ONC(=O)OC(C)(C)C)C(=O)NCc1cc(C)cc(B2OC(C)(C)C(C)(C)O2)c1 2369676459 XBSQSXFVHWJXSP-SFHVURJKSA-N 464.368 2.382 30 10 JEEE C=CCN(CC(=C)B1OC(C)(C)C(C)(C)O1)C(=O)C1(S(C)(=O)=O)CN(C(=O)OC(C)(C)C)C1 2379800705 RAVJETKMUXOIJX-UHFFFAOYSA-N 484.424 2.223 30 10 JEEE COC(=O)c1c(C)oc(NC(=O)c2cnn(C)c2N(C)S(=O)(=O)c2ccc(C)cc2)c1C#N 170576946 DDECWKWONPQRPL-UHFFFAOYSA-N 471.495 2.366 30 10 JEEE CC1(C)OB(c2cccc(OC3CCCCC3)c2S(=O)(=O)N2CCNCC2)OC1(C)C 725388880 RHJYGCJLOHKRLD-UHFFFAOYSA-N 450.410 2.291 30 10 JEEE N#CCNC(=O)COC(=O)c1ccccc1NS(=O)(=O)c1ccc(Br)cc1 731234897 SRASZKPMPWOEIJ-UHFFFAOYSA-N 452.286 2.046 30 10 JEEE CON=Cc1ccc(C(=O)O[C@@H](C)C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2OC)cc1 853733522 AEXOKNCJFAGNLH-AWEZNQCLSA-N 463.512 2.110 30 10 JEEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C/c1ccccc1 1148506281 WAAOLIFIFOBGDM-FRMPJASGSA-N 452.598 2.090 30 10 JEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCCN(Cc3ccccn3)C2=O)cc1 1214687915 UTUAKSGZOUEWGM-HXUWFJFHSA-N 457.556 2.201 30 10 JEEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1286353302 UGBBZOFTELMARS-CJFMBICVSA-N 499.616 2.485 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H]1CCCN(CC(C)C)C1)[C@H]1CCS(=O)(=O)C1 1286386918 JWGIEMHIBWIXMJ-PMACEKPBSA-N 458.632 2.268 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1C[C@H](F)COC)[C@@H]1CCS(=O)(=O)C1 1286394043 GIFNHMHPLZHMCS-RBUKOAKNSA-N 464.563 2.085 30 10 JEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CCC[C@H]1OC 1286402438 ZMMJFZZVFHMZRW-RBUKOAKNSA-N 454.600 2.435 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2Cc2ccc(OC)nc2OC)CC1 1286469170 BCWNRNUSWCIUMY-UHFFFAOYSA-N 489.580 2.363 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CC[S@](=O)C(C)(C)C)CC1 1286476480 XYUUPIGGQPWNNJ-YTTGMZPUSA-N 457.600 2.019 30 10 JEEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](c2c(F)cccc2F)N(C)C)CC1 1286477382 ZBTSLZKAFSSVQA-HXUWFJFHSA-N 454.529 2.015 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC(C)(C)O)CC1 1286495184 SDELPNOUJOOFPE-SFHVURJKSA-N 474.606 2.087 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(N(C)C(=O)OCC)CC1 1286553742 FYKIHYXZNRBILX-GGPKGHCWSA-N 495.646 2.219 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2cccs2)CC1 1286663217 ISDQHMPVHBYZSL-GOSISDBHSA-N 451.618 2.318 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1286783262 IMALLYPVOVNMOA-RBUKOAKNSA-N 482.585 2.291 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CC[C@](C)(C(=O)NC)C1 1286783611 WRQZVZHXTJAMCB-VWLOTQADSA-N 478.553 2.382 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 1286786524 FZGZWMAGTUXAQH-UHFFFAOYSA-N 465.583 2.283 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H](C(C)C)C1 1286815089 KXFRXEYOKVQUPV-LJQANCHMSA-N 495.671 2.279 30 10 JEEE C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 1291831320 BDFJAVDXMDHCFN-INIZCTEOSA-N 453.524 2.371 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2CCN2CCN(C)C(C)(C)C2)c1 1300334844 WCZIYUNTTSTVII-JOCHJYFZSA-N 493.656 2.254 30 10 JEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(=O)c2ccc(C)s2)CC1 1300340341 XOCKTLHOTZXWNB-QGZVFWFLSA-N 492.671 2.461 30 10 JEEE C#CCCCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1300403146 JIYJTTQPQVYJCK-INIZCTEOSA-N 472.546 2.149 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCc1ccc(OC)cc1OC)[C@@H]1CCS(=O)(=O)C1 1300496266 PARPZTCEZFMXIA-TZIWHRDSSA-N 488.610 2.406 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(Sc2ccccc2)CC1 1300538792 VJKPUNRJWRZSRC-FQEVSTJZSA-N 485.635 2.009 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCN/C(O)=C1\N=CC=CC1=O 1300560679 HLLCKSWGLDCBMB-WJTDDFOZSA-N 480.532 2.325 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H]1CCOc2ccccc21 1300578156 IFFWQXADXZKMEZ-NFBKMPQASA-N 497.621 2.030 30 10 JEEE C#CCN(CC#CC)c1nnc(COCC)n1C[C@@H]1C[C@@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1300595566 MZUAYOLVKQERSI-AABGKKOBSA-N 457.575 2.302 30 10 JEEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1CCC[C@H]1OC 1300666122 UMAUYQVORSIHFI-LEWJYISDSA-N 453.591 2.353 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)s3)n2CC2(S(C)(=O)=O)CC2)CC1 1300690317 HHCHABFIFAPNSR-UHFFFAOYSA-N 484.445 2.102 30 10 JEEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)c2ccco2)CC1 1300731131 COQYCOHHJIPQDP-UHFFFAOYSA-N 458.588 2.118 30 10 JEEE C#CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(C(=O)OC)CC1 1300760564 DWZMOVZHEKNHPI-UHFFFAOYSA-N 469.615 2.208 30 10 JEEE C=C(Br)Cn1c(CC2CC2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1300853172 LAMOFQXWQTUTEJ-KSSFIOAISA-N 451.413 2.128 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cc(Br)cn2C)nnc1N1CCN(C)C(=O)C1 1300868879 IBXBPYUPNNSGAG-KBXCAEBGSA-N 463.380 2.306 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCCS(=O)(=O)C1 1300905389 OZKMOIOYWCIYPQ-SFHVURJKSA-N 495.671 2.423 30 10 JEEE C=CC1CCN(c2nnc(CCOc3ccccc3)n2CCN2CCN(C(C)=O)CC2)CC1 1301129940 IAEZJLPBMYBING-UHFFFAOYSA-N 452.603 2.466 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(=O)N(C)C 1301424049 GTWLVHALFOEXPN-KRWDZBQOSA-N 450.584 2.120 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H]2CCC[C@@]1(C)C2 1301485653 ZSFZHHIVAKGORI-HXOBKFHXSA-N 472.615 2.267 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1301588210 DCHLCQVBHJQOOS-MOPGFXCFSA-N 497.662 2.466 30 10 JEEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 1301595108 NGTMYAIHGDVNHQ-CQSZACIVSA-N 466.589 2.278 30 10 JEEE C#CCNS(=O)(=O)N1CCN(C(=O)c2c(C)n(Cc3ccccc3)c3ccccc23)CC1 1302924515 OJNJMPLUMXBCGT-UHFFFAOYSA-N 450.564 2.223 30 10 JEEE CC(C)Cc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1C[C@H]1CCCN1S(C)(=O)=O 1302949072 GMXDLPIMOIBSRF-LJQANCHMSA-N 489.621 2.238 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1Cc1ccoc1 1303858635 FBWZMDNMIOOULT-OAHLLOKOSA-N 489.989 2.381 30 10 JEEE Cc1c(Br)c(C)n(NC(=O)c2c(Br)nc3n2CCC3)c(=O)c1C#N 1306833647 HQMOWYWSCSXPHV-UHFFFAOYSA-N 455.110 2.388 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CCCCC1(F)F)[C@H]1CCS(=O)(=O)C1 1358967996 XDMNUVLGFAAPTB-RDGPPVDQSA-N 486.585 2.454 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccc(C)cc2OC)CC1 1359042042 PLWSTSPDSBPOBW-SANMLTNESA-N 481.597 2.261 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](c2ccccc2Cl)N(C)C)CC1 1359044550 IQHIRYDJIDQNBT-RTWAWAEBSA-N 498.031 2.151 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCN(C(=O)N2CCCC2)CC1 1359090774 GELMIAXKPGHWHK-HBMCJLEFSA-N 476.622 2.321 30 10 JEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccc(CN3CCOCC3)c2)CC1 1359174209 XXUVWELKLYHPOA-LJQANCHMSA-N 488.658 2.171 30 10 JEEE C=CCCOCCn1c(COc2ccc(C)cc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1359229852 XBDJKZRMZJNPRT-UHFFFAOYSA-N 468.558 2.279 30 10 JEEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCN1CCCO[C@H](C)C1 1359233466 GMJZICVVXMRQKD-LJQANCHMSA-N 476.647 2.319 30 10 JEEE C=CCN(CC=C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(O)CCN(C(C)C)CC1 1359269200 SHIIKDFCNDRDCO-UHFFFAOYSA-N 463.590 2.335 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCN(c2ccc(C(F)(F)F)cc2)CC1 1359297807 COQIPQJKFWHUBM-UHFFFAOYSA-N 472.475 2.383 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1359331042 LOFFAZUBWWXWNH-INIZCTEOSA-N 472.537 2.322 30 10 JEEE C#CCOc1ccc(CNC(=O)N2C[C@@H](C(=O)OC)C3(C2)CN(C(=O)OC(C)(C)C)C3)cc1 1470253158 IOKGULIDIPZQGY-IBGZPJMESA-N 457.527 2.250 30 10 JEEE CS(=O)(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N2CCCCC2)CC1 1505123532 ICEMFDJJMYOGJH-UHFFFAOYSA-N 470.599 2.233 30 10 JEEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1507611445 NQKJEMWLLCIZJL-HXUWFJFHSA-N 476.560 2.005 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@@H]1CCCCN1CC)[C@@H]1CCS(=O)(=O)C1 1507627366 SKOATGZYZFHRFI-LEWJYISDSA-N 471.627 2.455 30 10 JEEE C#CCN(c1nnc(COCC)n1C[C@H]1CCC2(CCCCC2)O1)[C@@H]1CCS(=O)(=O)C1 1507637588 LCPKFBKTTAEZFM-RTBURBONSA-N 450.605 2.323 30 10 JEEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCO[C@@H]1c1ccccc1 1507641568 AYSCBIKXMQUNBU-CEWLAPEOSA-N 455.584 2.129 30 10 JEEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccnc(OCC(F)(F)F)c1 1507642679 YPCZQYBURIATLS-OAQYLSRUSA-N 463.460 2.387 30 10 JEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1(C(=O)N(C)C)CCCC1 1507653944 TZSBKHGSLKGMOC-UHFFFAOYSA-N 474.613 2.174 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCCN2CCCC2)cc1 1507669977 WSDKGGGPRNGQBZ-QHCPKHFHSA-N 495.649 2.166 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCCO[C@H]1C(C)C 1507708122 HTXUHQQAEWMUFZ-UNMCSNQZSA-N 464.574 2.458 30 10 JEEE C=CC1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1507897257 MXCGXKKYCXHNQC-SFHVURJKSA-N 493.655 2.033 30 10 JEEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1cccc(C(N)=O)c1 1507971165 QDMLCHRJTMEORO-UHFFFAOYSA-N 453.572 2.316 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](C)CN2CCCCC2)C1 1508121850 ARCMIPGSWZVJEK-HSALFYBXSA-N 451.637 2.084 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCCC2 1508140140 GLXKHOHLYKDIHG-OKZBNKHCSA-N 465.620 2.004 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1508143972 LWRBEGBGXZFJIM-UHFFFAOYSA-N 483.623 2.124 30 10 JEEE CC(C)NS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1509779665 AAWLYJVQZJXFMM-MRXNPFEDSA-N 499.563 2.217 30 10 JEEE CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCC[C@@H]2C)CC1 1513194180 ALZSEWIOJAELCR-DYLHXGEVSA-N 479.629 2.405 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OCC)CCOC3)n2C[C@](C)(O)CC)c1 1539040268 PIKHHIDEMIADLX-DNQXCXABSA-N 455.559 2.147 30 10 JEEE C#CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)NC[C@H]2C1 1539086061 XGHLZHBKOXCQEQ-ROUUACIJSA-N 457.579 2.367 30 10 JEEE C#CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1539120470 VVJIZEXDRFVLBW-UHFFFAOYSA-N 499.616 2.327 30 10 JEEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC1(O)CCN(C(C)C)CC1 1539154503 IHUYIUMDMDRQCH-UHFFFAOYSA-N 457.575 2.276 30 10 JEEE C#CCN(c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C/C=C\CC)[C@@H]1CCS(=O)(=O)C1 1539215355 ALRYJQCUQOAXGO-IEODJVTJSA-N 480.594 2.268 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1cc(F)cc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1539216989 YVAUWBOUSXYKLP-LJQANCHMSA-N 469.542 2.471 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCN(C)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1539221549 PSMQISOOYRFKMO-RTWAWAEBSA-N 463.648 2.411 30 10 JEEE C#CCN(CC#CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC(=O)NCC=C 1539324867 YRYARJHMLSNGTA-UHFFFAOYSA-N 454.575 2.158 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCc2cnn(-c3ccccc3)c2)CC1 1539428685 VQPDXTXOPMHETF-UHFFFAOYSA-N 474.613 2.380 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCN2CCN(C(C)=O)CC2)CC1 1539436422 RNBONWANHOBVNT-UHFFFAOYSA-N 490.439 2.171 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2CC2(N(C)C)CCC2)CC1 1539470529 SZYKOOABKWWAHV-UHFFFAOYSA-N 450.587 2.404 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(C)C)CC1 1539632702 SWRGLPCLZCQSRB-HBFSDRIKSA-N 451.637 2.128 30 10 JEEE C=C(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(CCOC)[C@H](C)C1 1539700061 MAUSRNQKEIZHNK-GOSISDBHSA-N 451.575 2.408 30 10 JEEE C=C(C)COCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC(CNC(C)=O)CC1 1539752487 PQXCQZCLVPIVHQ-UHFFFAOYSA-N 451.575 2.462 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc(Cc2ccncc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1540132993 CHVGJFBNMUXBFL-QHCPKHFHSA-N 453.568 2.006 30 10 JEEE C=CCn1c(COc2ccc(Br)cc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1540860106 KNNANXSUGLZQAE-UHFFFAOYSA-N 472.347 2.392 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1540864211 SMYQUJPOKKIORO-LBPRGKRZSA-N 490.328 2.411 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCCN(c2nc(C)ns2)CC1 1540867193 NOTIYNMBQXXXQU-UHFFFAOYSA-N 468.587 2.133 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H](C)CCSC 1540871563 OIAFEJSPJBNUNE-IAGOWNOFSA-N 482.651 2.467 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1540876233 LFYIUNNMJGIADT-TZIWHRDSSA-N 487.649 2.227 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(c2ccc(F)cn2)CC1 1540876255 LNGQJIOUYPFPQX-WIYYLYMNSA-N 471.581 2.360 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2Cc2cnn(CC)c2)C1 1540885595 LZXZZCRTIORJTL-HXUWFJFHSA-N 485.614 2.241 30 10 JEEE C=CCSCCn1c(-c2ccc3ccccc3n2)nnc1N1CCN(S(C)(=O)=O)CC1 1540912077 LWDKZJIUHPYGAM-UHFFFAOYSA-N 458.613 2.494 30 10 JEEE COCC[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2CCS(=O)(=O)CC2)C1 1555454616 DCKROEWEYHPLEH-IBGZPJMESA-N 473.599 2.416 30 10 JEEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCCN(c2nc(C)ns2)CC1 1587804289 XRPWCZKYIHRZBP-UHFFFAOYSA-N 451.560 2.215 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCNC(=O)C1CCC1 1588214077 HEOHIGSGCUIBGP-UHFFFAOYSA-N 481.626 2.008 30 10 JEEE C#CC1(NC(=O)c2cc(Br)cc(S(=O)(=O)N3CCOCC3)c2F)CCCC1 1588775452 QGLKMAJZJAXTMB-UHFFFAOYSA-N 459.337 2.285 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2CCNC(=O)c2cccs2)CC1 1588871444 DKVKMJUEUMFGAP-UHFFFAOYSA-N 480.594 2.112 30 10 JEEE C=C(Br)Cn1c(N2CC[C@@H](N3CCN(C(C)C)CC3)C2)nnc1[C@@]1(OCC)CCOC1 1589459799 DJPLRWPOOPTJQT-DENIHFKCSA-N 497.482 2.444 30 10 JEEE C=CCC(C)(C)Cn1c(N2CCN(C(=O)N3CCOCC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1594528863 NEKJQWJWBMUDKK-VWLOTQADSA-N 490.649 2.495 30 10 JEEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)NCc1ccco1 1594963509 UKDJZMJSVVDIQH-KRWDZBQOSA-N 460.535 2.118 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H](OC)C1 1595765896 JJMTXFZJAAPOOX-AWEZNQCLSA-N 458.382 2.252 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1595811970 ITZVZSQQEHDRKM-QFIPXVFZSA-N 478.578 2.314 30 10 JEEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](C)C[C@H]1CC 1595820850 AAWNPGDXPJOQCK-JKSUJKDBSA-N 451.618 2.495 30 10 JEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C2CN(C(=O)OC(C)(C)C)C2)CC1 1607394505 KSBVVUMAGVAQQJ-SFHVURJKSA-N 450.580 2.057 30 10 JEEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2C[C@@H](C)O[C@H](C)C2)CC1=O 1619938557 AMPRPSPJGKAOCZ-QZTJIDSGSA-N 452.559 2.315 30 10 JEEE N#Cc1ccc(N2CCC[C@@H](NC(=O)NCC(=O)Nc3ccc(-n4cccn4)cc3)C2=O)cc1 1634187616 CFCXVJIDNWWKMN-OAQYLSRUSA-N 457.494 2.177 30 10 JEEE CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)c1 1634193574 GIJZIXDIYWERFC-RTWAWAEBSA-N 456.568 2.177 30 10 JEEE C#CCN(CC(=O)N1CCC2(CC1)CN(C(=O)OC(C)(C)C)CCO2)C(=O)OC(C)(C)C 1646527693 MZUHBVMDDMYUGG-UHFFFAOYSA-N 451.564 2.485 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)[C@@H](C)C(=O)Nc2cc(C(=O)OC)ccc2C(=O)OC)c1 1652305555 VYSFDDLPKISTFV-HNNXBMFYSA-N 451.479 2.139 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C 1689853473 UGHKMKKIQGEXGQ-WJFTUGDTSA-N 481.663 2.299 30 10 JEEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1C[C@H]1NC(=O)CC1(C)C)[C@@H]1CCS(=O)(=O)C1 1689996916 RAPXBEGQABUVJD-TZIWHRDSSA-N 499.637 2.015 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCCn2ccnc21 1690064099 ZWCSIDCUCKUSQI-LJQANCHMSA-N 467.599 2.429 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(Cl)cc2F)CC1 1690134875 IZPYFQALQHWHSK-UHFFFAOYSA-N 472.952 2.321 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)CC(=O)N1CCOCC1 1690241818 XYXLUTQZTSBIEW-AUSIDOKSSA-N 485.585 2.239 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 1690658989 GJRLMWLIZBPVSI-FPOVZHCZSA-N 465.602 2.021 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H](C)C[C@@H]1CC 1690662613 BMMYDTQDOXRWFL-AEFFLSMTSA-N 460.604 2.122 30 10 JEEE C[C@]1(C#N)CCCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCn2ccnn2)C1 1692842221 BLRLEDIYXVVCJG-OAQYLSRUSA-N 454.560 2.160 30 10 JEEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)COc2ccc(F)cc2)CC1 1705507537 FKSHPSLZYJRIJL-UHFFFAOYSA-N 482.560 2.184 30 10 JEEE C#CCN(c1nnc(C(C)C)n1C[C@@H](c1cccc(C)c1)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1705561704 VXRGXSBPCAPYRV-PKTZIBPZSA-N 485.654 2.410 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2cccc(C)c2C)n1CC[S@](=O)CC)[C@H]1CCS(=O)(=O)C1 1705561876 WVHXDIIPAYEAKI-IETZIPDJSA-N 492.667 2.430 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1cccc(CN(CC)CC)c1)[C@@H]1CCS(=O)(=O)C1 1705565230 HGKKPPQOPDHJNN-XZOQPEGZSA-N 485.654 2.299 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CCc1sc(C)nc1C)[C@H]1CCS(=O)(=O)C1 1705569197 DMFSWKZLAWIHKC-IBGZPJMESA-N 470.624 2.207 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1705575623 RAYJTUNMSBGENJ-AUSIDOKSSA-N 497.621 2.239 30 10 JEEE C#CCSCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCO[C@H](C(=O)NC)C1 1705653217 BZVDRVONJLVBPP-ICSRJNTNSA-N 457.600 2.353 30 10 JEEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1705655286 KRIPQHNMSSBLKB-HIFRSBDPSA-N 463.405 2.365 30 10 JEEE C=C1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1705766429 ZUFVKGOFOUHRKA-QHCPKHFHSA-N 476.599 2.449 30 10 JEEE C=CC[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](OC)C1)c1ccccc1 1705797626 ZHRFTNPXDAORNV-QHAWAJNXSA-N 475.615 2.196 30 10 JEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCc1ccccc1F 1705819685 RQMNRSJRWZZDCA-IBGZPJMESA-N 451.568 2.395 30 10 JEEE C=CCCOCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H]2C[C@H]1CO2 1705827086 TUFQOUMSLJHSLH-OALUTQOASA-N 461.588 2.156 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCNC(=O)[C@H]2CC)cc1 1705910180 UKZUCPJUOUCOHH-LJQANCHMSA-N 461.526 2.253 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1cccn(CC)c1=O 1722300705 FWRWAOJDIQVPIR-JOCHJYFZSA-N 473.625 2.331 30 10 JEEE C#CCN(C)c1nnc(-c2ccc(OC)c(OC)c2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1722348249 ZYCCSCNSCXABMY-UHFFFAOYSA-N 466.542 2.286 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1Cc1csc([C@H](C)OC)n1)[C@@H]1CCS(=O)(=O)C1 1722361680 OHCSJGJAAUFGPY-DOTOQJQBSA-N 474.612 2.123 30 10 JEEE C#CCN(c1nnc(-c2cc(C)nc3ccccc23)n1CC[S@@](=O)CC)[C@H]1CCS(=O)(=O)C1 1722364571 LWBJLCNPCLLLIN-UPTQXZAWSA-N 485.635 2.197 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1CCNC(=O)c1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 1722371583 KNUODNDAMPRCJD-OAQYLSRUSA-N 497.646 2.296 30 10 JEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1cccnc1OC 1722375944 HWCYUOANNICEMP-UHFFFAOYSA-N 463.567 2.071 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1722705869 JJRHSJQLJJNZLR-QGZVFWFLSA-N 459.522 2.073 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](COc2ccccc2)C1 1722736943 NQCHHCVAUVBTBD-WOJBJXKFSA-N 462.572 2.015 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CC[C@H](C)C2)c1 1740562571 PCYRQAHXGAJFNF-JENIJYKNSA-N 472.615 2.381 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(F)ccc2Br)n1CCNC(=O)c1cc[nH]n1 1740647839 WZAUDWRYMWTPQC-UHFFFAOYSA-N 484.333 2.463 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(F)cc2Br)n1C[C@]1(O)CCN(C)C1 1740648013 BQYYSPDHAMAFIC-NRFANRHFSA-N 460.351 2.376 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H]1CCC[C@H](O)C1 1740683892 GTGUBGAUHZNKMN-MOPGFXCFSA-N 464.570 2.312 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2nnc(CC)s2)CC1 1740692222 GSWKLZWXFNTELA-UHFFFAOYSA-N 461.393 2.253 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OC)n2CC(C)(C)OC)CC1 1740707685 MCISXVYMQMNCMN-UHFFFAOYSA-N 455.559 2.257 30 10 JEEE C=C(Br)Cn1c(-c2ccccc2F)nnc1N1CCN(CC(=O)NCC)CC1 1740740990 BMQMSBRXYATLJB-UHFFFAOYSA-N 451.344 2.251 30 10 JEEE C=CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 1740948519 KXPGJEUJTZEQCC-UHFFFAOYSA-N 454.623 2.143 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1740964266 MQWUHGJUBDNBLY-HXUWFJFHSA-N 469.521 2.093 30 10 JEEE CC(=O)NC[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)C(C)(C)C)C1 1741097706 GPWPTGFPKQDWPT-FQEVSTJZSA-N 481.601 2.244 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCC(F)(F)F)nc1 1741130977 CRUFQOBMBVWRIH-DZGCQCFKSA-N 472.493 2.160 30 10 JEEE Cc1nn(C)c(N2CCN(c3nnc(CC(C)(C)C)n3CCC3(O)CCOCC3)CC2)c1C#N 1742668838 GBZDCJZOIPPYOV-UHFFFAOYSA-N 470.622 2.039 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CC12CCOCC2 1748651884 SSCRPFOWDQEQEA-PKOBYXMFSA-N 457.600 2.470 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2CCN2CCC[C@@H](C)C2)c1 1748694828 PZBYFCGWSGCRJF-HXUWFJFHSA-N 477.613 2.189 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC1CCN(CC(F)(F)F)CC1)[C@@H]1CCS(=O)(=O)C1 1748812655 YQQZQUNNQPSQIB-QGZVFWFLSA-N 484.548 2.174 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1CCC[C@@H](O)C1)[C@@H]1CCS(=O)(=O)C1 1748819084 KGOOMYIGRAQZIF-HMXCVIKNSA-N 460.575 2.186 30 10 JEEE C#CCN(CCOC)c1nnc(CC2CC2)n1C[C@@H]1C[C@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1748965080 LYMONKQTSPDRLH-UFYCRDLUSA-N 459.591 2.341 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2CC(=O)N(C)C)CC1 1749003381 HNOLJCQTYOWQGD-MRXNPFEDSA-N 468.627 2.185 30 10 JEEE C=C(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1749184213 NPOZGBRBASIFKG-UHFFFAOYSA-N 453.528 2.033 30 10 JEEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(=O)c2ccccc2)CC1 1749251545 GRWUVUKJHYVINL-OAHLLOKOSA-N 466.995 2.040 30 10 JEEE C=CCCCn1c([C@H]2CCCO2)nnc1N1C[C@@H]2[C@@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1749450578 MHIXYMNZRDNRKA-XDNAFOTISA-N 481.619 2.222 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1749671901 NBHKQWZTAWSYJT-SFHVURJKSA-N 464.574 2.054 30 10 JEEE C=CCOc1ccccc1Cn1c(-c2ccccn2)nnc1N1CCCN(S(C)(=O)=O)CC1 1749686755 FBOHFDUVSNIFHV-UHFFFAOYSA-N 468.583 2.425 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1749725707 WUMOQDDZWHHWPJ-NRFANRHFSA-N 492.609 2.313 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Br)nnc1N1CC[C@]2(CNC(=O)C2)C1 1749729446 JULOZIIDLSDTDM-FQEVSTJZSA-N 494.415 2.025 30 10 JEEE C[C@H](C#N)CN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@]1(N2CCOCC2)CCSC1 1750078382 FYQUQZXNFSNZMV-VGOFRKELSA-N 489.671 2.073 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1C[C@H]1CCC[C@H](O)C1 1751202354 CITLYEKYFNPELP-LRQRDZAKSA-N 472.615 2.480 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1cccnc1OCCOC 1760102756 PUDCVJSHGYJEMD-QGZVFWFLSA-N 469.567 2.275 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1CC1(O)CCC1)[C@H]1CCS(=O)(=O)C1 1760183220 NTODJMBTLXXODS-INIZCTEOSA-N 464.975 2.149 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H](CC)c2ccccc2)n1CCS(=O)(=O)N1CCSCC1 1760197207 XVDXXARTXYOJOS-NRFANRHFSA-N 471.652 2.271 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1ccc(N(C)C)nc1 1760202239 XEHRYLDQQBLORZ-UHFFFAOYSA-N 466.549 2.257 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(F)cc2Br)n1CC(=O)N1CCOCC1 1760214786 BLSLYFUVMPACLV-UHFFFAOYSA-N 474.334 2.168 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2Cc2ccsc2)CC1 1760256035 RSQGSWUDEHHHET-UHFFFAOYSA-N 470.624 2.060 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2Cc2nncn2CC)CC1 1760269731 CSDVIMOXKIZUFP-UHFFFAOYSA-N 466.977 2.148 30 10 JEEE C#CCSCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCN(CCOC)C(=O)C1 1760283287 IRMZLDMPQQFGPD-UHFFFAOYSA-N 452.584 2.012 30 10 JEEE C=C(Br)Cn1c(N2CC[C@@H](N3CCN(CC)CC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1760314116 JPEUCGGWCXWUKF-DENIHFKCSA-N 497.482 2.444 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1760318136 DOWXSZANPQLFLK-FBBABVLZSA-N 475.615 2.405 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1760335762 QJMDSCUGPOHNDI-PXCRPINLSA-N 469.590 2.084 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2cccnc2)n1CCN1CCCS1(=O)=O 1760480096 KTPOBRDDVOWNEA-UHFFFAOYSA-N 477.594 2.364 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCO[C@@H](c2cccc(Br)c2)C1 1760523151 NSBQQAGYYMVRIU-GOSISDBHSA-N 484.358 2.378 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1760555057 VJBLYUWADGRGNX-LJQANCHMSA-N 472.590 2.411 30 10 JEEE C=CCSCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCO[C@@H](C(=O)NC)C1 1760561247 VCBZYQWTOFLWAH-LJQANCHMSA-N 453.572 2.206 30 10 JEEE CC(C)NC(=O)Cn1c(Cc2ccncc2)nnc1N1CCCN(c2ccccc2C#N)CC1 1761260605 CJURAXIKUORNJH-UHFFFAOYSA-N 458.570 2.377 30 10 JEEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1c(F)cccc1F)N(C)C 1761362750 HTKJROHMYFTTRE-VKJFTORMSA-N 466.558 2.500 30 10 JEEE CCCNC(=O)CCn1c(-c2ccccc2F)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1766226554 HZHMHNFVHRBUTD-UHFFFAOYSA-N 479.564 2.241 30 10 JEEE N#Cc1cccc(-c2nnc(N3CCN(CC(F)(F)F)CC3)n2C[C@]2(O)CCSC2)c1 1770735238 GEJCJGAWNCZDPO-LJQANCHMSA-N 452.506 2.369 30 10 JEEE COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2CCN(C(=O)OC)CC2)C[C@@H](C)O1 1770960213 FQRSWGOKZDRNEW-XMSQKQJNSA-N 498.584 2.447 30 10 JEEE C=CCNC(=O)[C@H](NC(=O)[C@@H]1CC(=O)N(CCc2ccc(OC)c(OC)c2)C1)c1ccccc1 1861593129 GMQKUVKRUBOYNM-HYBUGGRVSA-N 465.550 2.255 30 10 JEEE CN(C)CCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1862603138 RQRRYTCWTHNXCZ-FQEVSTJZSA-N 469.450 2.212 30 10 JEEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@H]2c2ccc(OC)c(OC)c2)c1 1862706690 CHRKREVOAWAPKK-NRFANRHFSA-N 454.479 2.427 30 10 JEEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccc(C(=O)OC)cc1 1865723733 UFYDQWPLLCFZRL-GOSISDBHSA-N 498.580 2.042 30 10 JEEE CC[C@](C)(NC(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1)C(=O)Nc1ccc(C#N)cc1 1866593710 KGWGJGLLMLFTJW-DEOSSOPVSA-N 483.594 2.032 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)COc2nonc2C(=O)Nc2ccc3c(c2)OCO3)nc1C 1872691718 MXIPCKITSVOQSF-UHFFFAOYSA-N 487.450 2.176 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2csc(B3OC(C)(C)C(C)(C)O3)c2)[C@@H](O)C1 2255705828 AJKQBEYGDABACB-CABCVRRESA-N 452.382 2.147 30 10 JEEE CC1(C)OB(c2ccc(S(=O)(=O)NCCNOCc3ccccc3)c(F)c2)OC1(C)C 2255743755 HJCNKQCKVVHPRB-UHFFFAOYSA-N 450.341 2.125 30 10 JEEE CC(C)(C)OC(=O)N1CC(O)(CCNC(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2255873759 HAMJLUBKWKXBNH-UHFFFAOYSA-N 452.382 2.149 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)Nc1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)n1 2256623607 GBSOWFKJAPPADI-SMDDNHRTSA-N 455.748 2.247 30 10 JEEE CC(C)(C)OC(=O)N1CC2(C[C@@H](O)CN2C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2267129535 CEVNLZVAYGIASO-OAHLLOKOSA-N 464.393 2.244 30 10 JEEE 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)cs1 2267130756 RRZRVRJLMDAMSO-PQEBFOHHSA-N 464.393 2.458 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2C(NS(=O)(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)cc3)[C@@H]2C1 2267714860 OHJYOKLRMQKIGW-IAGOWNOFSA-N 464.393 2.129 30 10 JEEE C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@H](C)c1nscc1B1OC(C)(C)C(C)(C)O1 2268641564 OCCTZVXGJPJKKN-DVOMOZLQSA-N 469.413 2.236 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H]([S@@](C)(=O)=NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2281987272 XNJVYFQFIRBGJO-JVVFOLMZSA-N 482.412 2.250 30 10 JEEE Cc1c(C(=O)N2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281990947 UGWHXBMFCWCQGH-HZPDHXFCSA-N 460.384 2.109 30 10 JEEE Cc1nn(C)c(C(=O)N[C@H]2CCOC[C@H]2OCc2ccccc2)c1B1OC(C)(C)C(C)(C)O1 2281991971 HZNNXFHQLNKUIM-RBUKOAKNSA-N 455.364 2.132 30 10 JEEE CC(C)(C)OC(=O)N1CC(C2CCN(C(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)CC2)C1 2281993007 VJKQONJWMRATOY-UHFFFAOYSA-N 460.384 2.428 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](CNC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1(C)C 2282062611 APDCJYOUYKSWNY-GOEBONIOSA-N 460.384 2.445 30 10 JEEE CS[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C 2282546580 MTBMSILOOCVHNH-CABCVRRESA-N 480.440 2.108 30 10 JEEE Cc1ccc(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 2282553550 YKLVLXAAAAUEJV-GXTWGEPZSA-N 455.286 2.218 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CC12CCC2 2282625083 QLCZBXWIMHMPBR-MRXNPFEDSA-N 458.368 2.295 30 10 JEEE Cc1sc(C)c(S(=O)(=O)N2C[C@H]3C[C@H]2CN3C(=O)C(F)(F)F)c1B1OC(C)(C)C(C)(C)O1 2282875283 MUSVNUNTAJSEHO-OLZOCXBDSA-N 494.366 2.200 30 10 JEEE CC(C)(C)OC(=O)NCC12CC(C(=O)NCc3cnc(B4OC(C)(C)C(C)(C)O4)s3)(CO1)C2 2283926928 ULPCPECNHQOAPM-UHFFFAOYSA-N 479.408 2.132 30 10 JEEE Cn1cc([C@@H](NC(=O)OC(C)(C)C)C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)cn1 2283964741 QBNLDSCUQITFTR-QGZVFWFLSA-N 457.340 2.319 30 10 JEEE CC(C)(C)OC(=O)N1CC(OCC(=O)NCCc2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2283980817 FANSTWYYWPPEPE-UHFFFAOYSA-N 460.380 2.280 30 10 JEEE CC(C)(C)OC(=O)NCC12COC(C(=O)Nc3cccc(B4OC(C)(C)C(C)(C)O4)n3)(C1)C2 2284047822 KIGQSBDPTREHKZ-UHFFFAOYSA-N 459.352 2.393 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@@H](C(=O)NCc2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2284059983 JTNMBQXBBFNQFP-SFHVURJKSA-N 460.380 2.486 30 10 JEEE Cc1cnc(C(=O)N[C@H](C(=O)O)[C@@H](C)OCc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)c1 2284468672 DSQLKQYMWLLGMM-APWZRJJASA-N 454.332 2.478 30 10 JEEE CCOc1ccc(C=NNc2cnn([C@H]3CCS(=O)(=O)C3)c(=O)c2Cl)cc1OCC 2322614664 NMRZSUSKCGBYNZ-AWEZNQCLSA-N 454.936 2.500 30 10 JEEE CC(C)[C@H]1[C@@H](NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)CCN1C(=O)OC(C)(C)C 2362325662 HLCLHRLOKGOLGI-HOTGVXAUSA-N 462.400 2.483 30 10 JEEE CC(C)[C@@H]1[C@@H](NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)CCN1C(=O)OC(C)(C)C 2362325664 HLCLHRLOKGOLGI-JKSUJKDBSA-N 462.400 2.483 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)Nc3cccc(S(=O)(=O)NC4=NCCC4)c3)cc2C1=O 14808459 OMMFYEBPAKSYDK-UHFFFAOYSA-N 452.492 2.192 30 10 JEEE C#CCN(C(=O)CCc1nc(-c2cc(Br)cs2)no1)[C@@H]1CCS(=O)(=O)C1 729334767 CMYQBRGLGXRLCN-GFCCVEGCSA-N 458.359 2.142 30 10 JEEE C#CCN(C(=O)c1ccc(S(=O)(=O)Nc2ccc(OCC)cc2)cc1)[C@H]1CCS(=O)(=O)C1 918755221 XUNXMRJVPICYEV-IBGZPJMESA-N 476.576 2.149 30 10 JEEE C#CCn1ccc(CN(CCOC)C(=O)c2ccc(F)c(S(=O)(=O)NC(C)(C)C)c2)n1 1128570128 JHSSSFNXASNSKC-UHFFFAOYSA-N 450.536 2.021 30 10 JEEE C#CC[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(OC)cc2)c1)C(=O)OC 1161454672 CBIUHCYOASRPGD-QGZVFWFLSA-N 450.900 2.444 30 10 JEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 1286343595 XBTPZUYCFAQSCM-IRXDYDNUSA-N 468.624 2.043 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@H]1OCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1286391956 GCFYUACTBNGYCI-JXXFODFXSA-N 464.538 2.199 30 10 JEEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCC(F)(F)C1)[C@H]1CCS(=O)(=O)C1 1286393540 FHEOEQQEIRZMPZ-HOTGVXAUSA-N 497.593 2.332 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC2(S(C)(=O)=O)CCC2)CC1 1286471034 GICOBOZTFVJDQC-SFHVURJKSA-N 475.590 2.280 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(Br)c3)n2CC2CCS(=O)(=O)CC2)CC1 1286473760 WNLMYDMBHBUBFN-UHFFFAOYSA-N 492.443 2.288 30 10 JEEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2nccnc2C)CC1 1286549882 XIRSKXCTFGSVLW-IRXDYDNUSA-N 478.395 2.336 30 10 JEEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 1286704954 LAJREQINRRWEAN-UHFFFAOYSA-N 466.586 2.130 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2CCC(F)(F)CC2)C1 1286809221 HJYUKFDABHIQHL-ROUUACIJSA-N 489.589 2.218 30 10 JEEE C=CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1286831511 HEBVGMHKQZTTLD-SQNIBIBYSA-N 492.646 2.221 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc2c(cc1OC(F)F)OCO2 1300307671 IETWACFOWHERHZ-CHWSQXEVSA-N 468.482 2.017 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCCNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1300482601 GUOLXCMEDYXNKM-FQEVSTJZSA-N 498.609 2.358 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)Oc1ccc(OC)cc1 1300578388 LSMPUFRANIONHH-RTBURBONSA-N 456.568 2.119 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1CC(=O)NC1CCCCC1 1300655265 USYYIUUVDROKAF-UHFFFAOYSA-N 453.543 2.251 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@](C)(O)CCC 1300672330 YVTCVSROVIONHB-MBSDFSHPSA-N 465.595 2.224 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@](C)(O)CCC(C)C)CC1 1300688213 CKKYBWBLRMBRTF-XMMPIXPASA-N 473.643 2.291 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc3[nH]c(C)cc3c2)CC1 1300710532 FGSHAACTIMRPHH-UHFFFAOYSA-N 461.570 2.220 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@](C)(O)c2ccsc2)CC1 1300725678 BUEXUWMMFPSPRJ-DEOSSOPVSA-N 464.595 2.199 30 10 JEEE C=C(C)COCCn1c(N2CCc3nc(O)c(C#N)cc3C2)nnc1[C@]1(OC(C)C)CCOC1 1301002186 WGBAWQUOFJNXRD-DEOSSOPVSA-N 468.558 2.446 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCC(=O)Nc2ccccc2)CC1 1301124710 KKAMFIAKJDNGEK-HXUWFJFHSA-N 488.614 2.042 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc(C(=O)Nc2ccccn2)n1CC1(C(N)=O)CCOCC1 1301340705 CDSNSAYKWDUOOK-UHFFFAOYSA-N 475.553 2.400 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1301493256 XCRIMCRRBGTLRC-HNNXBMFYSA-N 452.481 2.329 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1301576076 RHPJBPRFLCSMKH-UHFFFAOYSA-N 488.577 2.011 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1301578121 SFVFYVQVPQMWHT-QFIPXVFZSA-N 486.686 2.459 30 10 JEEE CC(C)(Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1)c1ccccn1 1302344692 BQJAJAVISCFLPR-UHFFFAOYSA-N 466.567 2.336 30 10 JEEE COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)N2CCC(C)CC2)CC1 1315743356 HEBQVJWCVMQZPM-FQEVSTJZSA-N 465.602 2.232 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CC[C@](C)(CC)O1)[C@H]1CCS(=O)(=O)C1 1358966752 VZPKGANNAYKVFN-JTAQYXEDSA-N 474.631 2.114 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(C)n2)n1C[C@@]1(N2CCOCC2)CCSC1 1358991831 QFRXTLQVCPROQG-DEOSSOPVSA-N 450.612 2.319 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCOC1 1358994278 JBPNOPRGDKYURV-WOJBJXKFSA-N 457.575 2.476 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCNC(=O)C(C)(C)C)CC1 1359029653 DKCUQJPTJCYSTB-GOSISDBHSA-N 456.566 2.475 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@](C)(O)C(C)C)CC1 1359042639 OGSNGHGXZGPTJQ-RUZDIDTESA-N 469.586 2.335 30 10 JEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(CCc2cccs2)CC1 1359060273 PQTVCEDKAVNINL-UHFFFAOYSA-N 458.657 2.193 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(C(F)(F)F)n1 1359064609 WSLLEHXZUJPPBC-SCLBCKFNSA-N 456.494 2.343 30 10 JEEE C=C(C)COCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(CC(F)F)CC1 1359131070 HDKFXKUEAQHDMW-UHFFFAOYSA-N 473.528 2.172 30 10 JEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@](O)(c2ccccc2)C(F)(F)F)CC1 1359159233 QRZSCUIBXQBZNB-DNVCBOLYSA-N 473.521 2.495 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2cccc(OC)c2)CC1 1359179145 NBFDASMISROFBJ-OAQYLSRUSA-N 475.615 2.265 30 10 JEEE C=CCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1359229860 XFKZMWAPEUKHKD-PZJWPPBQSA-N 450.543 2.378 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(N)=O)c1 1359277805 WHDVSILGKXTVIZ-LJQANCHMSA-N 469.567 2.156 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@H](N2CCCCC2)C1 1359294392 RYWZCYQKAUTNNV-IBGZPJMESA-N 484.601 2.338 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1359295788 OAXIKHMGFKGYLX-INIZCTEOSA-N 491.999 2.077 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](CC)C1 1359309825 FJODILFZESZTIS-GHTZIAJQSA-N 475.615 2.460 30 10 JEEE CC(=O)NCC1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)N2CCOCC2)CC1 1359441253 DRGIQESBXRXDAR-UHFFFAOYSA-N 465.602 2.280 30 10 JEEE COC(=O)[C@@H]1CC[C@@H](c2ccccc2)N1C(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 1448667306 BWRCYJUTPQXEOA-SNRMKQJTSA-N 455.536 2.409 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1(N(C)C)CCCC1)[C@H]1CCS(=O)(=O)C1 1507628113 UYTSIGJZGPZDTG-FQEVSTJZSA-N 486.598 2.354 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H](C(CC)CC)N(C)C)[C@H]1CCS(=O)(=O)C1 1507632543 NABXFQNADKTPDW-QHAWAJNXSA-N 465.664 2.165 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@@H]1CCOC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1507635824 ZQQGEONWDRTDMD-HOJAQTOUSA-N 460.575 2.307 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCOCCC=C)[C@H]1CCS(=O)(=O)C1 1507638433 QXEUQYRMJRVLEN-XUVXKRRUSA-N 464.632 2.416 30 10 JEEE C#CCN(c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCn1cncn1)[C@H]1CCS(=O)(=O)C1 1507639632 LNBSJCSZRLTAMG-FQEVSTJZSA-N 497.625 2.073 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C 1507669625 OMZHTNIBOHNVCC-MOPGFXCFSA-N 477.631 2.192 30 10 JEEE C#CCN(CCOC)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1Cc2ccccc2O1 1507713849 ZAFHTWGAFACZCH-SFHVURJKSA-N 451.552 2.359 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 1507716171 NOXDQBBEFCKVEM-FQEVSTJZSA-N 487.649 2.351 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)OCCOC)n1C[C@]1(N2CCOCC2)CCSC1 1507765227 QQQMEXDPKAIVME-WWPVKYPJSA-N 463.648 2.202 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCN(C(C)C)C(C)C 1507771554 BRZYSJIQAABTPW-NZQKXSOJSA-N 480.679 2.112 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccn(C)n1 1508009462 ZAUILEGBFWQYST-SFHVURJKSA-N 458.563 2.488 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1C[C@@]1(N2CCOCC2)CCSC1 1508040782 AJSHEJSXUAZKMD-KNQAVFIVSA-N 451.637 2.019 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCOCC2(CCC2)C1 1508073449 XXQYRRXVUMHOSH-UHFFFAOYSA-N 452.559 2.456 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)Cc1ccon1 1508091632 VXGDSEKAOIRKTD-MRXNPFEDSA-N 459.551 2.319 30 10 JEEE C=CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCCN(C(C)=O)CC1 1508150899 RMBJGGDNFWJQNV-UHFFFAOYSA-N 492.671 2.173 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1c(Cl)c(C(F)(F)F)nn1C 1539317760 HTIQLIZEKZZPGZ-LBPRGKRZSA-N 453.856 2.146 30 10 JEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2nc(C(F)(F)F)cs2)CC1 1539459253 AZZXHMKVZBIUPT-UHFFFAOYSA-N 464.521 2.419 30 10 JEEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1539526398 OFHKSUAZKYWGIN-KRWDZBQOSA-N 472.640 2.227 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC=CCO1 1540148012 ZATJTCYLDIJLDK-PKOBYXMFSA-N 479.628 2.210 30 10 JEEE C=CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 1540853415 HOXSKUXLRBGMKI-HXUWFJFHSA-N 490.630 2.210 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CC[C@H](OCc2cccc(OC)c2)C1 1540867837 JQQDWGSWYPVUSK-FQEVSTJZSA-N 450.543 2.390 30 10 JEEE C=CCNC(=O)Cn1c(N2CCO[C@H](c3cccc(F)c3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1540876501 TWRLHWOFFWYZGK-GBXCKJPGSA-N 473.549 2.338 30 10 JEEE C=CCOc1ccccc1Cn1c(N2CCN(C)C(=O)[C@H]2C)nnc1[C@@]1(OCC)CCOC1 1540881416 ITNBVTQXMIRADE-HOYKHHGWSA-N 455.559 2.210 30 10 JEEE CC(C)Cc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1C[C@@H]1CCS(=O)(=O)C1 1541465588 CNVUUQAWPGBMIC-QFIPXVFZSA-N 470.643 2.495 30 10 JEEE C[C@@H]1OCC[C@]1(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1545145165 CGKFOLXEZXZPNU-XDHUDOTRSA-N 452.559 2.051 30 10 JEEE CNC(=O)[C@H]1CN(C(=O)c2ccc(OC)nc2OC)CCN1c1ccc(C#N)c(C(F)(F)F)c1 1548367789 NSHNSWJTNMKYOG-QGZVFWFLSA-N 477.443 2.066 30 10 JEEE CS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CN2CCCCCC2)CC1 1555817422 ACTHKRFAEWSWTN-UHFFFAOYSA-N 485.658 2.458 30 10 JEEE C#CCN(CC(=O)NCc1cccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)c1)C(=O)OC(C)(C)C 1556574361 GHXBAJJXYNPSAT-DEOSSOPVSA-N 454.527 2.398 30 10 JEEE C=CCn1c(SCC(=O)N[C@H](CO)[C@H](O)c2cccnc2)nnc1-c1ccc(Cl)cc1 1557910658 FTCUDTASMHPZSB-IEBWSBKVSA-N 459.959 2.482 30 10 JEEE C#CCSCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1 1565831014 XAHKJKYNHJLMGB-GFCCVEGCSA-N 451.433 2.394 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1nncn1C)[C@H]1CCS(=O)(=O)C1 1588040295 LKBCUYUKGNTEMQ-AWEZNQCLSA-N 480.381 2.055 30 10 JEEE C#CCN(c1nnc(-c2cccc3cccnc23)n1C[C@H](F)COC)[C@H]1CCS(=O)(=O)C1 1588046184 ZEFULVCFLDTQLM-ROUUACIJSA-N 457.531 2.105 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1CCCN(C)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1588064273 FIUCXYQEHPSUSF-GOSISDBHSA-N 465.620 2.114 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CC1(OC)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1588064552 KKANYUKFIMPYJR-HXUWFJFHSA-N 457.600 2.240 30 10 JEEE C#CCN(c1nnc(COc2ccccc2OCC)n1C[C@]1(C)CCCO1)[C@H]1CCS(=O)(=O)C1 1588069701 SPRWINZPWTVUKU-CYFREDJKSA-N 488.610 2.452 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H]1CCCN(CC(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1588073837 FOSRYMAAVPWEPD-PWRODBHTSA-N 463.648 2.124 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1588162458 TWURHRHUICZCIT-JTHBVZDNSA-N 492.605 2.006 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2CCCCN2CCC)CC1 1588763183 SPJHIPLYUIBZKK-JOCHJYFZSA-N 484.670 2.368 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cn4ccccc4n3)n2C[C@@H](C)N(CC)CC)CC1 1588955071 PSEXTGLSNHUUSU-HXUWFJFHSA-N 476.629 2.213 30 10 JEEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1589059245 CUESSQPZEBWDRA-UXHICEINSA-N 460.648 2.019 30 10 JEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(c2cc(C)nc(C(C)C)n2)CC1 1589109581 GOMKLPWYBNUURT-UHFFFAOYSA-N 482.658 2.315 30 10 JEEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1589288262 IJCOBTTZFICHFR-DJJJIMSYSA-N 469.384 2.428 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1593741232 KXHLKAYTKTUKKK-DNVJHFABSA-N 488.677 2.391 30 10 JEEE C=C(Cl)Cn1c(N2CCN(C(=O)CN(CC)CC)CC2)nnc1[C@]1(OC(C)C)CCOC1 1593932762 OVZMXGYSCKDTOZ-QFIPXVFZSA-N 469.030 2.062 30 10 JEEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 1594625555 GVUWTVYVEXZHGI-VXKWHMMOSA-N 473.643 2.392 30 10 JEEE C=CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1594651354 JCLHUPGCTYFSCM-UHFFFAOYSA-N 456.595 2.070 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccnc1 1595116173 PZZHLWFSJSFFRH-QFIPXVFZSA-N 482.610 2.441 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)NC(=O)OC(C)(C)C 1595218002 DOSLKBSONCHEJA-KRWDZBQOSA-N 498.650 2.093 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC(=O)N(C)Cc2ccccc2)C1 1595674228 ODFMPOHQQSKORC-FQEVSTJZSA-N 475.553 2.365 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCCS2(=O)=O)C1 1595745498 RZRZAVCCPBNWAB-SFTDATJTSA-N 471.583 2.477 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@H](NC(C)=O)C1 1595766511 RDUCEGGADYRYRN-KRWDZBQOSA-N 483.541 2.252 30 10 JEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC=C(c2ccccc2)C1 1595821640 CBQCACFSSGDGEX-UHFFFAOYSA-N 455.584 2.295 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@H]1CCCSC1 1608562869 DOHCEUNOVWMQFG-GOSISDBHSA-N 454.604 2.153 30 10 JEEE CN(C)C(=O)CCCn1c(Cc2cccnc2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1617588641 HUBJVDNQVPJVRW-UHFFFAOYSA-N 476.560 2.470 30 10 JEEE C=CCN(CC=C)[C@@H](CNS(=O)(=O)c1cnn(C)c1I)C(C)C 1622032048 MECKURHVABZPRJ-ZDUSSCGKSA-N 452.362 2.002 30 10 JEEE C#C[C@H](NC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c1ccccc1Br)C(C)(C)C 1641836210 YPOVYOBUKKZOND-CVEARBPZSA-N 457.390 2.146 30 10 JEEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2C[C@@H](c3ccccc3)Oc3ccccc32)CC1 1676479436 QJUMZJGHSHJVAA-IRLDBZIGSA-N 454.552 2.046 30 10 JEEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2CCC[C@@H]2c2ccccc2C(F)(F)F)CC1 1685724686 YFQNRKBDEQAWTN-SJLPKXTDSA-N 458.506 2.136 30 10 JEEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@](C)(N2CCOCC2)C1 1689931713 GENNIQDYQRCOBB-NLFFAJNJSA-N 488.633 2.301 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)Oc2ccccc2C)CC1 1690110506 PAJHSLAEOSYHLM-FQEVSTJZSA-N 459.554 2.457 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2C[C@H]2CCC(=O)N2)CC1 1690137848 KKCSXQFBJMLNFU-AZUAARDMSA-N 494.596 2.061 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@](C)(O)C2CC2)CC1 1690152548 PAVBQCQNSLUOQX-VWLOTQADSA-N 451.571 2.292 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1690250230 FBWNMBWTLVHPLW-RCZVLFRGSA-N 498.676 2.111 30 10 JEEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)COc2ccc(F)cc2)CC1 1690311718 SEZSJDSKKUPKFN-IBGZPJMESA-N 473.549 2.241 30 10 JEEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCN1CCC(C)CC1 1705585783 ZSHOVPHMRBIJDN-UHFFFAOYSA-N 473.669 2.448 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CCC(=O)NC2CCCCC2)CC1 1705649620 BKSVQIRZFSWLAA-UHFFFAOYSA-N 477.613 2.069 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@]2(C)COCCO2)CC1 1705650910 CHUGGQAACFSHMJ-AREMUKBSSA-N 481.597 2.245 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2C[C@@H]2CCOC[C@H]2OC)CC1 1705651060 IGJBATJRQDKQQU-SIKLNZKXSA-N 485.560 2.014 30 10 JEEE C=CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1cccn(CC)c1=O 1705846533 JXBXOSQOENDWAL-UHFFFAOYSA-N 461.614 2.495 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1noc(CC)n1 1705860008 MBZXVZKIHNPZEQ-IBGZPJMESA-N 481.582 2.433 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC(C)(C)O 1705864723 KQWAMNUMSSRATR-LJQANCHMSA-N 481.594 2.104 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCCN(C(=O)Cc2cccc(F)c2)CC1 1705902322 BWPIOMMWTKNJGD-NRFANRHFSA-N 484.576 2.242 30 10 JEEE CC(=O)N(C)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2([S@@](C)=O)CC2)CC1 1705957625 FLWJHBPTWCIGGU-MGBGTMOVSA-N 470.599 2.087 30 10 JEEE CN(C)C(=O)COc1cccc(Cn2c([C@H]3CCCCO3)nnc2N2CC[C@](F)(C#N)C2)c1 1710991125 GPNQJGODBIHBOU-XXBNENTESA-N 456.522 2.477 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CC(=O)NC1CCCCC1)[C@H]1CCS(=O)(=O)C1 1722359081 IIRJEGJMDJESBR-FQEVSTJZSA-N 485.610 2.029 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCc1cccc(OCC)c1)[C@@H]1CCS(=O)(=O)C1 1722368168 PGTAWUUZBIBRDL-NHCUHLMSSA-N 472.611 2.440 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCNC(=O)c1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1722369038 VBEOLSWXODDIFU-OAQYLSRUSA-N 492.605 2.014 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC1(O)CCS(=O)(=O)CC1 1722375922 UYELYPKSHHHSCC-KRWDZBQOSA-N 472.636 2.144 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(C(=O)N(C)C)CCCC1 1722383472 IBYBLPZYEZOXCV-FQEVSTJZSA-N 498.628 2.308 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCNC(=O)[C@@H](C)CCC 1722394177 OWUAYSZMZZBBDT-IBGZPJMESA-N 473.581 2.207 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC(=O)NC(C)C)CC1 1722446946 DUBIRTXVHSXTTG-UHFFFAOYSA-N 456.978 2.013 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2Cc2cc(F)cc(OC)c2)CC1 1722448657 FSJNRQSGTYLRGX-UHFFFAOYSA-N 462.529 2.426 30 10 JEEE C#CCSCCn1c(C2CCCC2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1722458725 RNAFQURPCLZMBP-UHFFFAOYSA-N 472.659 2.242 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1CCNC(=O)c1ccccc1F 1722465953 GPPYJMVCPTWJHV-XMMPIXPASA-N 461.501 2.487 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1=CCCOC1 1722658824 MCQVWXWFTRYRIL-OAQYLSRUSA-N 473.599 2.150 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](COCC)C1 1722724336 UCEMFLDHFOMSGF-AWEZNQCLSA-N 472.409 2.499 30 10 JEEE Cc1nccnc1CCn1c(C(=O)NC(C)C)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1725757147 DSOMPCMSQAYYIZ-UHFFFAOYSA-N 477.548 2.095 30 10 JEEE CCCCN(C)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1728039321 HIKJRXMZHDCUJT-UHFFFAOYSA-N 488.600 2.251 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2C[C@@]2(C)COCCO2)c1 1740564430 MRRIIJHMWNCXMG-VWLOTQADSA-N 460.538 2.126 30 10 JEEE C#CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@](C)(C(=O)NC)C1 1740574892 JOQFCOHEBGEULB-DEOSSOPVSA-N 450.591 2.218 30 10 JEEE C#CCN(c1nnc(CCCc2ccccc2)n1CCN1CC=CCC1)[C@H]1CCS(=O)(=O)C1 1740624887 MINCCJWROPJHNE-QHCPKHFHSA-N 467.639 2.342 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC(O)(CC)CC)[C@@H]1CCS(=O)(=O)C1 1740628827 UXTDHUAGYAEBQT-GUDVDZBRSA-N 466.648 2.375 30 10 JEEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1ccccc1 1740717694 YWFPHXXISSNUIA-UXHICEINSA-N 475.640 2.319 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2cc(C)ccc2OC)CC1 1740825793 UOGYMRZXMVTSOD-OAQYLSRUSA-N 475.615 2.327 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCOCC2(CC2)C1)C(C)C 1740926587 IFGSFAHKHBFEEP-RTWAWAEBSA-N 477.675 2.496 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1c(F)cccc1F 1740932785 VROGRKLOVFPWMF-IBGZPJMESA-N 467.542 2.310 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1740952983 SFDQFVVPHPUHQO-OYHNWAKOSA-N 460.966 2.336 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CC[C@H](C)N(Cc2ccccc2)CC1 1740991860 GUNGEMSUURWCDQ-UNMCSNQZSA-N 473.643 2.484 30 10 JEEE CC(C)CC[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1741501471 AOFAIJFJMYHCLN-NBGIEHNGSA-N 481.601 2.472 30 10 JEEE CCC[C@H](C)C(=O)NCCn1c(Cc2ccccn2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1745206130 FBLOZUGIEMMJIX-FQEVSTJZSA-N 487.612 2.410 30 10 JEEE COc1cc(Cl)ccc1-c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1748550782 ASPDHVGJMAMJDK-VBKZILBWSA-N 482.969 2.331 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1nccnc1C 1748673166 CIMAVHONZOSBRS-VQIMIIECSA-N 455.563 2.386 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1Cc1cnccc1OC)[C@@H]1CCS(=O)(=O)C1 1748808894 IKSWKGWUKGOYEU-LJQANCHMSA-N 497.577 2.041 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1748810040 REQANRKCXLEZAZ-SFHVURJKSA-N 476.599 2.139 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1CC1(C)CCOCC1)[C@H]1CCS(=O)(=O)C1 1748818996 IGMZDGUXVMUUSS-IBGZPJMESA-N 460.575 2.451 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@H]1CCCN(C(C)=O)C1 1748831538 OUUYDQKLULOQGI-IBGZPJMESA-N 465.554 2.302 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCCN(C(C)=O)C1 1748881088 BKHMMCSGABUBBD-HXUWFJFHSA-N 467.595 2.070 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CC2([S@](C)=O)CC2)CC1 1749005915 AYBBQGFNHDZUOO-DHUJRADRSA-N 499.637 2.229 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2c(F)cccc2Cl)CC1 1749010326 QAQXNENCQOQBKP-SFHVURJKSA-N 458.925 2.036 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2cc(F)ccc2OC)CC1 1749015867 QELOABOWZTWQPM-UHFFFAOYSA-N 479.560 2.302 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCOCCN(C)C 1749065243 XPPIOMWSIMXICJ-RUZDIDTESA-N 463.586 2.245 30 10 JEEE C=C(Br)Cn1c([C@H]2CCOC2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1749101786 GJWPQBPHAJKCJO-SFHVURJKSA-N 481.439 2.215 30 10 JEEE C=C(C)COCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1749229660 NPANTIVYRRRLBB-NRFANRHFSA-N 491.614 2.244 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(c2cccnn2)CC1 1749652302 KQJKFDSSVODXIL-KRWDZBQOSA-N 482.976 2.490 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCO[C@@H](CC)C1 1749666662 PGGIVEVQRISDBN-KRWDZBQOSA-N 465.558 2.153 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1ccc(C#N)cc1 1749668654 CDAYGKFCEROOAL-FQEVSTJZSA-N 495.584 2.397 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2ccn(C)n2)C1 1749713581 VCTSBEZHTJZJIV-OALUTQOASA-N 473.578 2.150 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)c(Br)c2)nnc1N1CC(=O)N(C)[C@H](C)C1 1749724986 PBYMGVGVAHTHFN-OAHLLOKOSA-N 496.431 2.284 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC=C(C)C1 1749731039 ZNDKXFVICQHUPV-UHFFFAOYSA-N 468.583 2.432 30 10 JEEE Cc1cc([C@](C)(O)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)c(C)o1 1751384378 HTHWCTMNQJEAJC-UPCLLVRISA-N 498.609 2.404 30 10 JEEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1760129685 VQSRHGMMSQMSBU-GOSISDBHSA-N 470.541 2.106 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2c(F)cc(F)c(F)c2F)CC1 1760264909 HVYGSLKJZIJXOD-UHFFFAOYSA-N 492.477 2.085 30 10 JEEE C#CCSCCn1c(N2CC[C@@](C)(C(=O)NC)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1760286531 NIFNECMMOOSSAX-SAHWJRBASA-N 476.647 2.378 30 10 JEEE C=C(Cl)Cn1c(COc2ccccc2CC)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1760379816 IRSVOQLUDIJGDX-UHFFFAOYSA-N 474.993 2.345 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCCN(CC)C(=O)C1 1760517505 OIKFRNVBQZXIDD-UHFFFAOYSA-N 479.354 2.208 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(C(=O)c2ccccc2OCC)CC1 1760554073 QNFRKWKXSXRFND-UHFFFAOYSA-N 473.599 2.117 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 1760555402 FIEANQWOOLIKSJ-HKUYNNGSSA-N 496.655 2.374 30 10 JEEE C=CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](COC)C1 1760560834 GVACLFPBPUWXLX-QGZVFWFLSA-N 452.602 2.119 30 10 JEEE C[C@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@](C)(O)c1cccs1 1762697939 CVXQRLFBKRSWOS-HJPURHCSSA-N 466.567 2.365 30 10 JEEE COCCN(CC(C)C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1769812843 HKIBBSWQBOKBFL-LJQANCHMSA-N 460.604 2.207 30 10 JEEE COc1cc(Cl)ccc1-c1nnc(N(C)C[C@@H](C)C#N)n1CCN1CCCS1(=O)=O 1769861398 HRMNNNIDPBBLMM-AWEZNQCLSA-N 452.968 2.238 30 10 JEEE C=CCn1cc(OCC(=O)Nc2sc(C)c(C)c2C(=O)OCC)c(=O)cc1CN1CC(O)C1 1870587950 OFAUMZLIXFEADH-UHFFFAOYSA-N 475.567 2.083 30 10 JEEE C=CCN=c1nc(N2CCN(c3ccccn3)CC2)[nH]c(=Nc2cc(NC(C)=O)ccc2C)[nH]1 1871622201 FEOLWHMKOAMISW-UHFFFAOYSA-N 459.558 2.045 30 10 JEEE CCCOc1c(/C=N/n2c(SCC(N)=O)nnc2[C@@H]2CC(=O)N(C(C)C)C2)cccc1OC 1874337943 LUFYSCKAKZSMKV-JKHIYUEESA-N 474.587 2.259 30 10 JEEE CC(C)N1C(=O)CS[C@H](C(=O)N2CCC[C@H](NS(=O)(=O)C3CC3)C2)[C@H]1c1ccc(C#N)cc1 1891448331 QLDQCDMGTFLRLF-BWAGFHJFSA-N 490.651 2.025 30 10 JEEE Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C=CC(=O)OCC(=O)Nc1sccc1C#N 2040426177 NTPZGOQSTVYLGE-CYBMUJFWSA-N 468.944 2.333 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1COCCN(C(=O)c2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2255682720 LCRNAECKXHUHAP-CQSZACIVSA-N 452.382 2.413 30 10 JEEE CC1(C)OB(c2scnc2C(=O)N[C@@H]2CCOC[C@@H]2NC(=O)OCc2ccccc2)OC1(C)C 2255813003 PVNFSTXGYIIJSK-SJORKVTESA-N 487.387 2.256 30 10 JEEE C=C(CS(=O)(=O)N1CC[C@H](OCCNC(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2255955745 SNNAFOIZHGPANI-INIZCTEOSA-N 460.402 2.119 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@H]1NC(=O)c1cccc(F)c1B1OC(C)(C)C(C)(C)O1 2266982375 QIHDANTXASEQLQ-HZPDHXFCSA-N 450.316 2.147 30 10 JEEE COC1(CNC(=O)c2cc(C)c(B3OC(C)(C)C(C)(C)O3)o2)CN(C(=O)OC(C)(C)C)C1 2267132845 VFXPCMQMFLUYGR-UHFFFAOYSA-N 450.341 2.253 30 10 JEEE CCCN(CCNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nn(C)c1C)C(=O)OC(C)(C)C 2267139390 FYDOMYRHCVJWJZ-UHFFFAOYSA-N 450.389 2.405 30 10 JEEE Cn1cc(C(=O)NCc2cnc(NC(=O)OC(C)(C)C)s2)nc1B1OC(C)(C)C(C)(C)O1 2267188090 HLUOSHWCGVCBGD-UHFFFAOYSA-N 463.369 2.453 30 10 JEEE C=C(CS(=O)(=O)N1CC[C@@H]2OCCN(C(=O)OC(C)(C)C)[C@@H]2C1)B1OC(C)(C)C(C)(C)O1 2267463819 KQBAVVJQXOBQNL-SJORKVTESA-N 472.413 2.214 30 10 JEEE Cc1sc(C(=O)NC2(C(=O)O)CN(C(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2267544510 VKDCEZRYKYCJLT-UHFFFAOYSA-N 466.365 2.160 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1COCCN(C(=O)c2cc(F)ccc2B2OC(C)(C)C(C)(C)O2)C1 2281780052 PPOQIQNNXSLOMA-MRXNPFEDSA-N 464.343 2.491 30 10 JEEE CN(C)[S@](=O)(=NC(=O)[C@@H]1C[C@H]1B1OC(C)(C)C(C)(C)O1)N1CCN(C(=O)OC(C)(C)C)CC1 2281925064 WKYRPXOPDWKRIO-AAGLAYRLSA-N 486.444 2.408 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C(=O)O)N(C(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C1 2282003216 YNVONFNKRXEORG-TZMCWYRMSA-N 481.380 2.025 30 10 JEEE Cc1nc(S(=O)(=O)NC(C)(C)CN(C)Cc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)n1C 2282507211 DGOIWVAYDXLWQK-UHFFFAOYSA-N 476.452 2.217 30 10 JEEE CS[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)c(C)nn1C 2282573821 GEDYMCLGOVLDDR-GJZGRUSLSA-N 480.440 2.108 30 10 JEEE C[C@@H]1OC2(CNC(=O)OC(C)(C)C)CC1(NC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1)C2 2282604742 XWLYQWVDVBEFSX-MFBUALDNSA-N 479.408 2.387 30 10 JEEE CN(Cc1ccccc1)CC1CCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CC1 2282696164 ZFLGOBNYNOYQCF-UHFFFAOYSA-N 453.396 2.099 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@]1(C)CCNS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282833776 KBMIZUKRIXSLGV-QFIPXVFZSA-N 481.424 2.449 30 10 JEEE CO[C@@H]1C[C@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)c(C)n2)N(C(=O)OC(C)(C)C)C1 2283959823 QKBWLMDVGKNGTH-GDBMZVCRSA-N 462.356 2.047 30 10 JEEE CC(C)(C)OC(=O)N[C@]1(C(=O)NCCc2ccccc2B2OC(C)(C)C(C)(C)O2)CCOC1 2283981909 RHBSIYBTKKLQEX-XMMPIXPASA-N 460.380 2.328 30 10 JEEE CC1=C(B2OC(C)(C)C(C)(C)O2)CCN(C(=O)[C@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)C1 2284032606 GMVNKYTXDYYFAL-QGZVFWFLSA-N 484.424 2.201 30 10 JEEE C[C@@H](OCc1ccccc1)[C@H](NC(=O)c1nn(C)c(Cl)c1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284429421 FHFOEBBQRHECEX-CJNGLKHVSA-N 477.754 2.161 30 10 JEEE C[C@@H](O)CN(CCNC(=O)OC(C)(C)C)C(=O)c1c(F)cccc1B1OC(C)(C)C(C)(C)O1 2285412448 GBMAKXCWADUQHN-OAHLLOKOSA-N 466.359 2.473 30 10 JEEE CC(C)(C)OC(=O)N1CC(c2nc(=NC(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)o3)s[nH]2)C1 2296453144 ZSGWALSJSKRFIT-UHFFFAOYSA-N 476.364 2.439 30 10 JEEE COC(=O)CSc1nnc(CC(C)C)n1N=Cc1ccc(OCCN2CCOCC2)c(OC)c1 2331460680 TYZMIKQXRAZKRD-UHFFFAOYSA-N 491.614 2.344 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CC(N)=O)C(=O)N1CC(B2OC(C)(C)C(C)(C)O2)=CCC1(C)C 2337333520 AOZGYNCUIFYATH-OAHLLOKOSA-N 451.373 2.324 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2(C)C)n1C 2362491017 YXDXOZGLLFVWBR-LSDHHAIUSA-N 462.400 2.449 30 10 JEEE C=CCN1C(=O)/C(=c2/sc3n(c2=O)[C@H](c2cccs2)C(C(=O)OC)=C(C)N=3)c2ccccc21 631782 NGBNYEPCCQWNCS-LFVOPCPISA-N 477.567 2.373 30 10 JEEE CC(=O)N1CCC(N2C[C@@H]3C[C@H](C2)c2c(NC(=O)c4ccc(C#N)cc4)ccc(=O)n2C3)CC1 15672364 IHBJBNQMPMBMMD-PZJWPPBQSA-N 459.550 2.402 30 10 JEEE biogenic C=CCn1nc(C)c(/C=N/Nc2nnc(SCC(=O)Nc3ccc(OC)c(OC)c3)n2N)c1C 59829895 CLMNIPIINQDYLO-FOKLQQMPSA-N 485.574 2.185 30 10 JEEE NS(=O)(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2cccnc2)cc1 170356417 IEXOUGDEGJMTOO-NRFANRHFSA-N 493.497 2.283 30 10 JEEE COc1cc(C(=O)N2CCN(CCOC(=O)c3cccc(C#N)c3)CC2)cc(OC)c1OC 586394596 RVPNMYNIOMMHQM-UHFFFAOYSA-N 453.495 2.199 30 10 JEEE CCc1nnc(NC(=O)CSc2nnc(NN=Cc3c(O)ccc4ccccc34)n2N)s1 1083998171 PDTISMJUZYILTB-UHFFFAOYSA-N 469.556 2.441 30 10 JEEE CC(=O)Nc1cccc(NC(=O)CCSc2n[nH]c(NN=Cc3c(C)nn(CCO)c3C)n2)c1 1084310735 GGPYVALRHKLIMX-UHFFFAOYSA-N 485.574 2.136 30 10 JEEE CCNS(=O)(=O)c1ccc(NC(=O)CSc2n[nH]c(NN=Cc3ccccc3OC)n2)cc1 1084362628 GZDJWEOPQRYLHQ-UHFFFAOYSA-N 489.583 2.288 30 10 JEEE Cc1nn(-c2ccccc2)c(N2CCOCC2)c1C=NNc1nc(S[C@H](C)C(=O)N(C)C)n[nH]1 1084444588 IQKRYVHETUCDLJ-MRXNPFEDSA-N 483.602 2.150 30 10 JEEE CN(CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 1167499173 DCUWEIUBAMZTLW-NHCUHLMSSA-N 459.566 2.476 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccnc(OC2CCOCC2)c1 1286275012 MLHOCINPJASJCQ-HOYKHHGWSA-N 455.559 2.389 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC1([S@](C)=O)CC1 1286288581 HZDIPVQCLMJSHC-FTDQSSOUSA-N 452.584 2.434 30 10 JEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@H](n2cncn2)C1 1286339263 KJBLTJRZMMPZHA-IBGZPJMESA-N 468.587 2.042 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1Cc1csc(COC)n1)[C@@H]1CCS(=O)(=O)C1 1286387423 DRKZRWCWDUISMD-MRXNPFEDSA-N 493.014 2.271 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1Cc1ccc(N2CCC(CO)CC2)cc1 1286468152 ZVNGUDDQNHVGSU-JOCHJYFZSA-N 453.587 2.125 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)s3)n2CC(C)(C)C(=O)NC)CC1 1286475342 XHAJMRQAQAQKEA-UHFFFAOYSA-N 465.421 2.297 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H]2CCC[C@@H]2OC)CC1 1286493197 FHHNBANJCAAVQD-QUCCMNQESA-N 456.616 2.415 30 10 JEEE C=C(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(CCOC)[C@@H](CC)C1 1286592007 BAOYZVRNZMOZAE-SFHVURJKSA-N 451.575 2.315 30 10 JEEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(C)n2)n1C[C@]1(O)CCS(=O)(=O)C1 1286764441 PJJILZOAGXMZIX-JOCHJYFZSA-N 457.556 2.026 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C)CC2)cc1 1286797139 RDZSWALKIBNFDU-NRFANRHFSA-N 475.615 2.460 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(CC)cc3)n2CC2(O)CCS(=O)(=O)CC2)C1 1286802193 PXCWILUEGMKGDE-FQEVSTJZSA-N 460.600 2.229 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC(OC2CCCC2)CC1 1286814279 OVFDDJSQWACHOA-UHFFFAOYSA-N 465.620 2.043 30 10 JEEE CN(CC(=O)N1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1CCN1CCCC(C)(C)C1 1298198109 FCSKQZHUCLVOBJ-UHFFFAOYSA-N 465.602 2.234 30 10 JEEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1300372296 OZYFZOFPBHMZCZ-SFHVURJKSA-N 494.625 2.471 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2ccccc2F)n1CC1(O)CCCC1)[C@H]1CCS(=O)(=O)C1 1300485819 ZFQBUTJKKNIIPE-MSOLQXFVSA-N 476.574 2.489 30 10 JEEE C#CCN(c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@H](OC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1300493157 RQHRBESKJGXPII-FGZHOGPDSA-N 482.610 2.429 30 10 JEEE C#CCN(CCOC)c1nnc(Cc2ccccc2F)n1CC1(NC(=O)OC(C)(C)C)COC1 1300673505 MZFPVIYNYSAWSN-UHFFFAOYSA-N 473.549 2.388 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@](C)(OC)C2CC2)CC1 1300681972 GCXOGASKQCTCAY-XMMPIXPASA-N 471.005 2.432 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3OCC)n2CCc2nnc(C)s2)CC1 1300709898 KGGUONVWXUNMNP-UHFFFAOYSA-N 467.599 2.414 30 10 JEEE C=CCC(C)(C)Cn1c(COc2cccc(C)c2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1301160635 UFEVSMVAJZZVQV-UHFFFAOYSA-N 479.589 2.103 30 10 JEEE CC(=O)N1CCN([C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCOC(C)C)C[C@H]2C)CC1 1301763813 HWLVKYIMSYYQDM-AUSIDOKSSA-N 465.602 2.231 30 10 JEEE COc1cc(-c2nnc(N(C)[C@H](C)CC#N)n2C[C@@H](C)N2CCOCC2)cc(OC)c1OC 1315290653 FJUCCVZPTIILPI-IAGOWNOFSA-N 458.563 2.430 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CC1(O)CCS(=O)(=O)CC1 1359019152 LNDDKNMGLSZDTO-HXUWFJFHSA-N 490.626 2.061 30 10 JEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CCCN(CC(C)C)C1 1359023186 CNCXRZAECZXNPZ-LJQANCHMSA-N 456.591 2.460 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(N(C)C)c(F)c2)CC1 1359046649 ALUMBKYUMSGKIV-UHFFFAOYSA-N 492.603 2.359 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCCN2CCC)CC1 1359046953 LVVNCJTZYIYSMG-FQEVSTJZSA-N 497.669 2.110 30 10 JEEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccccc2[C@@H]1C 1359057594 DLGOATUKTXUTRQ-PXNSSMCTSA-N 475.640 2.101 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccc2F)nnc1N1CCN(CC(=O)N(C)C)CC1 1359101514 OZSTTWLSJVBANU-YKSBVNFPSA-N 470.593 2.199 30 10 JEEE C=C(C)COCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1359136344 GUPDFJSKUXRYNT-HSZRJFAPSA-N 471.583 2.336 30 10 JEEE C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)CCN1CCOC(C)(C)C1)c1ccccc1 1359137821 BSFFKVSKIKXTSM-IBGZPJMESA-N 476.647 2.149 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C2CCCCC2)N(C)C)CC1 1359165491 QFEMIQQQWGAYPO-RTWAWAEBSA-N 480.679 2.278 30 10 JEEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1359191123 OBUWVEYVFXYDPF-RBBKRZOGSA-N 485.677 2.382 30 10 JEEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1359225681 HSGFENKHTYNUFO-UHFFFAOYSA-N 454.623 2.323 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN([C@H](C)c2nccs2)CC1 1359294630 ZXXQMGYCTQJBGF-MRXNPFEDSA-N 482.570 2.495 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1359335757 UICSWTKRGMSPIF-QUCCMNQESA-N 489.598 2.009 30 10 JEEE Cc1ccc(C)c(C2=NO[C@@H](C(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)C2)c1 1464022185 BWMADWUNWBXVMK-JOCHJYFZSA-N 452.536 2.201 30 10 JEEE C#CCC1(NC(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)CCOCC1 1468193727 FELHPJNVTJXBRL-UHFFFAOYSA-N 452.534 2.314 30 10 JEEE CCN(CC)C(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nncn2CC)CC1 1501788969 ACTLJHJKGOAEOP-UHFFFAOYSA-N 462.562 2.060 30 10 JEEE CN(C)S(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(OC(C)(C)C)CC1 1503406091 CVYNVCNBDZWZAO-UHFFFAOYSA-N 460.604 2.492 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(N2CCSCC2)CCCCC1 1507516643 LUQGHMVUFGPMGW-MSOLQXFVSA-N 468.693 2.098 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(C)(C)OCC)c1 1507550269 INDDDLQTEXNLCT-GOSISDBHSA-N 473.599 2.052 30 10 JEEE C#CCCCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)COc2ccc(F)cc2)CC1 1507564653 UIQYOFCIZYPOII-IBGZPJMESA-N 455.534 2.452 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1Cc1ccc(N2CCOC2=O)cc1)[C@H]1CCS(=O)(=O)C1 1507621727 BUZLWCJORCJFDO-XLIONFOSSA-N 471.583 2.423 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H](CC)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1507634260 YDENPEIWYHXVLX-QRVBRYPASA-N 495.646 2.450 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CCCOC1)[C@@H]1CCS(=O)(=O)C1 1507639192 WLLKIXRFJJXNAP-MTQWCTHYSA-N 464.632 2.250 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CC[C@H](C)N(C)Cc2ccccc2)CC1 1507716692 SYMCTNKHTIRPIB-NRFANRHFSA-N 451.619 2.082 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCN2C[C@H](C)O[C@@H](C)C2)CC1 1507717456 DKYBNOSNVGEBJQ-ROUUACIJSA-N 490.450 2.290 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H](OC)C2CC2)CC1 1507733802 BFDHCKCRNCUZQA-GOSISDBHSA-N 475.391 2.427 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3CC)n2CCN2CCOC[C@H]2C)CC1 1507741120 MATNUUHCTIWBSM-OAQYLSRUSA-N 494.640 2.106 30 10 JEEE C#CCSCCn1c(N2CCC(N3CCN(C(C)C)CC3)CC2)nnc1[C@]1(OCC)CCOC1 1507759068 YWQHLSHOJWVAOD-VWLOTQADSA-N 490.718 2.291 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1507785395 QJYPSMHCOOONFS-QGZVFWFLSA-N 468.396 2.156 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCC(NS(C)(=O)=O)CC1 1507801370 UTBBVOZCNDDHIW-PXNSSMCTSA-N 460.604 2.148 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1508092105 AAGPXJCRYKVOCV-UHFFFAOYSA-N 487.605 2.302 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cn(C)c3ccccc23)nnc1N1CC[C@H](C(=O)OC)C1 1508137656 PFZSCGGCJOPDAU-INIZCTEOSA-N 457.556 2.037 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCN1CCN(Cc2ccccc2)CC1 1539038190 MIJRGVHNRWTXSX-XWGVYQGASA-N 466.630 2.278 30 10 JEEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1CC1(S(C)(=O)=O)CCCC1 1539154443 GEWLQLSWLMRNHO-UHFFFAOYSA-N 454.394 2.473 30 10 JEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1C[C@@](C)(O)c1ccco1)[C@H]1CCS(=O)(=O)C1 1539226053 UAWJRWGEYMBXSS-NBGIEHNGSA-N 498.605 2.199 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1CCCCN1CCN(CC)CC1 1539265309 FJXHQVGLVOJDSK-DEOSSOPVSA-N 462.598 2.281 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(OC)ccc2Br)n1CC(=O)NCC=C 1539305394 ZGKCITSUFUPGJG-UHFFFAOYSA-N 456.344 2.481 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccc(OC)c(O)c2)CC1 1539468324 DOMRWYJNFMJILU-AREMUKBSSA-N 497.596 2.047 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2CC2(C(=O)NCC)CCC2)CC1 1539481895 HVUUEUYHJIXQGD-UHFFFAOYSA-N 476.625 2.450 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C)(c2nc(C)no2)CC1 1539615183 GVKAIQHJNQYRKX-NJAFHUGGSA-N 493.634 2.119 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C)[C@@H]1CC 1539631654 MPIBRIMENOZPOA-WPVAHCMFSA-N 467.636 2.217 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCNC(=O)[C@H]1CC 1540897798 SMQOYNWTGCNXCV-RTBURBONSA-N 475.615 2.351 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CC1CC(F)C1 1540898934 YWNWFOJPLLGTJR-UHFFFAOYSA-N 470.592 2.134 30 10 JEEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2oc(C3CC3)nc2C#N)CC1 1540907672 DRRLKWAQCKYVFX-UHFFFAOYSA-N 470.603 2.399 30 10 JEEE C=CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CC(=O)NCC)CC1 1540911594 WHGIWDFEECPAFG-UHFFFAOYSA-N 450.012 2.171 30 10 JEEE C[C@H](C#N)CN(C)c1nnc(CNC(=O)c2cccs2)n1Cc1nnc2n1CCCCC2 1541118479 ATZXCJIAWRCTNP-OAHLLOKOSA-N 453.576 2.232 30 10 JEEE CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2ccncc2)CC1 1545710647 DXLIYJDULNDVSQ-HXUWFJFHSA-N 472.597 2.491 30 10 JEEE COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCOc2ccccc21 1555557871 FLFUDSOWTPBZIE-MSOLQXFVSA-N 459.572 2.113 30 10 JEEE N#Cc1sccc1N1CCN(C(=O)NCc2cccc(OCCN3CCOCC3)c2)CC1 1563777291 DYHDDOKZBFZXHY-UHFFFAOYSA-N 455.584 2.363 30 10 JEEE COc1ccc(S(=O)(=O)N2CCC(CNC(=O)N(C)CC(C)(C)C#N)CC2)cc1OC 1564046133 ACBVNENKMJCLCA-UHFFFAOYSA-N 452.577 2.296 30 10 JEEE C#CCOc1ccc(CNC(=O)CCNS(=O)(=O)c2ccc(Br)cc2)cc1 1569241133 PRMXYSZAYLHIBM-UHFFFAOYSA-N 451.342 2.446 30 10 JEEE C#CCN(c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC(=O)NCCC)[C@H]1CCS(=O)(=O)C1 1588035308 RHDUTXUCYQOFAN-AEFFLSMTSA-N 489.667 2.284 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H]1CCCN(CC(C)C)C1)[C@H]1CCS(=O)(=O)C1 1588045201 HBMQDLHQVVQTSR-RTWAWAEBSA-N 472.659 2.278 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1nnc2n1CCC2 1588166578 KMVQMQXWTCLQCT-KRWDZBQOSA-N 450.547 2.009 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2ccc(F)cc2F)CC1 1588386183 NKZAEMMFOMEHDP-IBGZPJMESA-N 479.553 2.081 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CC[C@H](C)c2ccc(OC)cc2)CC1 1588733486 VCPCWQNKFPGLMZ-FQEVSTJZSA-N 450.587 2.472 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2cc(Cl)ccc2OC)CC1 1588751183 JEWRECQOOCBOIY-QHCPKHFHSA-N 459.978 2.396 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CCOc2ccc(Cl)cn2)CC1 1588955064 PKFURLZDWAZMEO-UHFFFAOYSA-N 479.972 2.357 30 10 JEEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1589135351 XPCQJTNHXCTZRH-ACRUOGEOSA-N 474.631 2.087 30 10 JEEE C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C(C)C)C1 1589405557 RVXDKRBSYAQRHC-HUUCEWRRSA-N 462.414 2.002 30 10 JEEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(=O)c2cc(C)oc2C)CC1 1593806431 BBVYDZUOZOZPPM-CQSZACIVSA-N 485.010 2.249 30 10 JEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2ccc3c(c2)OCCO3)CC1 1594194452 VZRQUJZAHASOBH-MRXNPFEDSA-N 461.588 2.305 30 10 JEEE C=CCCOCCn1c(-c2ccc[nH]2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1594802669 FISOHPSNMMICBY-FQEVSTJZSA-N 455.607 2.389 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1595785311 WRXMDADSYBZWBH-MRXNPFEDSA-N 489.577 2.260 30 10 JEEE CC(C)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2CCS(=O)(=O)CC2)[C@@H](C)C1=O 1607485415 GPDSMRBGSILCOW-SFHVURJKSA-N 484.626 2.335 30 10 JEEE Cc1cccc([C@H](Cn2c([C@H]3CCC(=O)N3)nnc2N(C)C[C@@H](C)C#N)N2CCOCC2)c1 1612173299 FPBUXABKOFDETO-TYPHKJRUSA-N 451.575 2.207 30 10 JEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCC(N2CCOCC2)CC1 1642549508 BSUDYQFEIWPTIS-UHFFFAOYSA-N 452.349 2.421 30 10 JEEE N#Cc1ccc(OC2CCC(NC(=O)N3CCC(C(N)=O)(N4CCCCC4)CC3)CC2)nc1 1680366989 BKGWKYJGTQQHEL-UHFFFAOYSA-N 454.575 2.159 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1CCNc1nccc(C(F)(F)F)n1)[C@@H]1CCS(=O)(=O)C1 1689980223 OGSXLENUACAGSW-CQSZACIVSA-N 485.536 2.123 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@@H]1CC(F)(F)CO1)[C@@H]1CCS(=O)(=O)C1 1689983399 AVJGKCIESZUBBY-AEFFLSMTSA-N 466.510 2.005 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1Cc1ncccc1N(C)C)[C@@H]1CCS(=O)(=O)C1 1689985865 DBUIEKVIASEFGA-LJQANCHMSA-N 464.595 2.390 30 10 JEEE C#CCN(c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H](C)SC)[C@H]1CCS(=O)(=O)C1 1689989698 HYKVYDVSLYWZHA-GJYPPUQNSA-N 462.597 2.169 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1C[C@@H](c1cccc(F)c1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1689993939 NZXBXXTYTMWJGY-RTWAWAEBSA-N 459.591 2.299 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C 1690077599 RYMLBZKRHAZQMC-SJORKVTESA-N 453.609 2.189 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@H]2NC(=O)CC2(C)C)CC1 1690117364 FBGQHBSNHYPXRG-OAQYLSRUSA-N 466.586 2.022 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2CCNC(=O)OC(C)(C)C)CC1 1690140122 MNQTTYPQGKSDOH-UHFFFAOYSA-N 452.559 2.436 30 10 JEEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1690156129 RTFYDPIOVAYFKL-UHFFFAOYSA-N 463.652 2.193 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[C@@H](N2CCCC2)C1 1690661691 DHYRKNUHYOGTOW-LJQANCHMSA-N 484.601 2.338 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 1690673647 ZAOVQSKIAWOXBS-UHFFFAOYSA-N 492.580 2.480 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 1690720639 OPZAITIYIFKZHB-LJQANCHMSA-N 499.572 2.480 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1690725205 IKCAVNITSAJOII-NQIIRXRSSA-N 494.061 2.280 30 10 JEEE C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(CC(=O)N(C)C)CC1)N1CCOCC1 1692696365 FALCQPIYJLTJGI-IBGZPJMESA-N 465.602 2.232 30 10 JEEE CC(C)N(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1693831280 HOEAGHHLCOYNPV-CYFREDJKSA-N 454.575 2.453 30 10 JEEE CNC(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1Cc1cccnc1OCC(F)F 1696990345 BQIDBTWPKVXCHC-UHFFFAOYSA-N 455.469 2.476 30 10 JEEE N#C[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2ccc(Br)s2)CCO1 1698492826 GDTVOUPLYGZKRO-YPMHNXCESA-N 451.350 2.025 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1Cc1ccc(F)cc1F)[C@H]1CCS(=O)(=O)C1 1705559042 OYRJECPZVBPCGR-SFHVURJKSA-N 479.553 2.150 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1Cc1cc(C)nn1C)[C@@H]1CCS(=O)(=O)C1 1705560482 KZVZCBPVEUESME-IEBWSBKVSA-N 486.573 2.274 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1705561617 VDRQHBJFNVJZFR-BZSNNMDCSA-N 462.547 2.220 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1Cc1nncn1CC)[C@H]1CCS(=O)(=O)C1 1705563513 YWRIOCBNHXERRT-HNNXBMFYSA-N 477.953 2.024 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@](C)(O)c2cccc(Cl)c2)CC1 1705769299 OJLWDEFDGMZQHB-UGKGYDQZSA-N 496.033 2.329 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 1705899678 CKWMSELAHMQKRQ-UHFFFAOYSA-N 466.502 2.202 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccc(NC(N)=O)cc2)C1 1705916652 MMKBWAHXLFUXCQ-WMZHIEFXSA-N 456.547 2.250 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cccc(C(=O)NCCC)c2)C1 1705924295 BUTHCUWXQZRUFD-RTWAWAEBSA-N 487.626 2.150 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1705930959 AGIITNZMHUUUAF-IBGZPJMESA-N 460.991 2.376 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1705937162 KVHLOZWDOUZFAM-GOSISDBHSA-N 474.612 2.208 30 10 JEEE C=CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1705940460 FSWPXVVMPBUPTL-IUODEOHRSA-N 470.393 2.315 30 10 JEEE CC(=O)N[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCc2c[nH]nc2C)C1 1706026431 FRBDMCOYCBUZJT-NRFANRHFSA-N 462.558 2.498 30 10 JEEE CC(C)C(=O)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCCS2(=O)=O)CC1 1706213127 DZQVJKSKVWWFMZ-OAQYLSRUSA-N 484.626 2.479 30 10 JEEE COc1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(N(C)S(C)(=O)=O)CC2)cn1 1711838647 HNQIFSVUFZBLFX-UHFFFAOYSA-N 481.582 2.129 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccc(COCCOC)cc1)[C@H]1CCS(=O)(=O)C1 1722359437 SULINNUMJGRPPA-NRFANRHFSA-N 474.627 2.414 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1CCOCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1722360923 KICDGEZAPPYUJA-HXUWFJFHSA-N 453.568 2.127 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CCc1csc(CC)n1)[C@H]1CCS(=O)(=O)C1 1722365752 NVDJQCKEZDNTLU-IBGZPJMESA-N 470.624 2.152 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CC1(CCOC)CCC1)[C@@H]1CCS(=O)(=O)C1 1722366505 QXYROSRWDMMJOB-HXUWFJFHSA-N 457.600 2.097 30 10 JEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCNC(=O)OC(C)(C)C 1722382297 HBFWIXUSDGOWEQ-UHFFFAOYSA-N 464.574 2.050 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCn2ccnc2C1 1722389038 CWXKKIPQQIZIMF-HXUWFJFHSA-N 491.621 2.117 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1CCCN1CCCCC1=O 1722396618 BGPAYLYMCJGGLN-UHFFFAOYSA-N 457.538 2.459 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(C(N)=O)nc1 1722418481 RXPQGQCNBNDDOS-VWLOTQADSA-N 478.528 2.251 30 10 JEEE C#CCN1CCN(c2nnc(CC3CCCC3)n2Cc2cccc(CS(C)(=O)=O)c2)CC1 1722439704 MJICUKNRGZPJRZ-UHFFFAOYSA-N 455.628 2.359 30 10 JEEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1722527431 IYNDFEXEMJBMQC-UHFFFAOYSA-N 488.614 2.456 30 10 JEEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1722696809 FHKBINLMWILMAL-QGZVFWFLSA-N 495.584 2.459 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCCSC 1722699332 UKGUITKAEWIOCZ-INIZCTEOSA-N 468.624 2.078 30 10 JEEE C=CCOc1ccc(Cn2c(CC(C)C)nnc2N2CCN(C(=O)C(=O)N3CCCC3)CC2)cc1 1722705312 XBBPMGOAYZTTSI-UHFFFAOYSA-N 480.613 2.361 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2cc3ccccc3[nH]2)C1 1722709867 AQTUXPNPWTZPEU-QFBILLFUSA-N 458.588 2.394 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1722732077 UPYARNVQJOZJIT-RDPSFJRHSA-N 490.626 2.459 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CC2(C)CCOCC2)c1 1740562141 GYSQNJKWURZJLB-LJQANCHMSA-N 450.543 2.102 30 10 JEEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)Cc1cccc(C(N)=O)c1 1740587605 PMDXVVWKKNRQFR-UHFFFAOYSA-N 465.583 2.387 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCNC(=O)c1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 1740623637 YEAFGNRTGGUUTI-NRFANRHFSA-N 492.605 2.014 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC1(OCC)CCCC1)[C@H]1CCS(=O)(=O)C1 1740624770 ALZRQLRBPOJVBX-OALUTQOASA-N 450.605 2.496 30 10 JEEE C#CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1CCSC1 1740679495 AMLXQZXCFJMWCZ-QGZVFWFLSA-N 462.645 2.386 30 10 JEEE C=C(Br)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1740744645 CWJDJIQRLQHJDK-CABCVRRESA-N 459.352 2.067 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CCOC)C(=O)C1 1740757127 SRJCQUAJEUFVEK-YLJYHZDGSA-N 460.966 2.270 30 10 JEEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)COc2ccc(F)cc2)CC1 1740879235 IABOEKPRWKUCSY-UHFFFAOYSA-N 470.549 2.233 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CC[C@@H](C(=O)N(C)c2ccccc2)C1 1740961988 OKNAZXXHMCHZCK-HXUWFJFHSA-N 459.554 2.055 30 10 JEEE C[C@@H]1CN(C(C)(C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCOCC2)C[C@@H](C)O1 1743196170 CERYXHOIVVYHDO-RTBURBONSA-N 454.575 2.453 30 10 JEEE C#CCN(C)c1nnc(Cc2cn3ccccc3n2)n1Cc1cccc(OCC(=O)N(C)C)c1 1748793442 JRISMPIDLSNNED-UHFFFAOYSA-N 457.538 2.101 30 10 JEEE C#CCN(c1nnc(C(C)C)n1Cc1cc(F)ccc1N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1748802220 NNDNOWXYOGCCOR-HXUWFJFHSA-N 475.590 2.052 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1Cc1ccc(OC)nc1OC)[C@@H]1CCS(=O)(=O)C1 1748809158 JVJUYHZBEUEGHO-LJQANCHMSA-N 481.578 2.341 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1ccc(N(CC)CC)nc1)[C@@H]1CCS(=O)(=O)C1 1748811587 ITENMUPEBAPCIU-OAQYLSRUSA-N 479.610 2.256 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@](C)(O)c1cccs1 1748876905 YHPZUDQITAYYBX-HSZRJFAPSA-N 458.551 2.353 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2Cc2cccnc2OC)CC1 1749006605 UJOUWDHNXHTXEI-UHFFFAOYSA-N 490.564 2.380 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1749009632 DJOKPCAHCCDANK-HXUWFJFHSA-N 478.597 2.178 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCC2(CCN(C)C2=O)CC1 1749119564 UGWIHLCCJZLDAW-ZCNNSNEGSA-N 461.607 2.432 30 10 JEEE C=C(C)CN(CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(S(=O)(=O)NC)c1 1749141339 AXCLIQCHCJMLMA-UHFFFAOYSA-N 469.571 2.284 30 10 JEEE C=CCCOCCn1c(N2CCN(C)C(=O)[C@@H]2C)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1749461851 XWLRRJMVEIKCSC-OKZBNKHCSA-N 462.595 2.308 30 10 JEEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCCN1c1cnn(C)c1 1749471491 OXNZNICHMIMRGQ-LJQANCHMSA-N 484.630 2.220 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1749650020 HDZFAELXBPQFMC-QUCCMNQESA-N 452.559 2.455 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(c2ccnc(C)n2)CC1 1749652580 PJUZNKCGJYPJRP-QGZVFWFLSA-N 480.548 2.284 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[C@](C)(C(=O)NC)C1 1749657841 HNWITMMMCRUOFH-DEOSSOPVSA-N 470.574 2.006 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1749664629 UWPJRBZUFMACLM-UHFFFAOYSA-N 450.522 2.120 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@@H]2c2nncn2C)cc1 1749683177 LFBAZJJAWHFSQA-LJQANCHMSA-N 450.547 2.499 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc3ccccc3o2)nnc1N1CC[C@](C)(C(=O)NC)C1 1749725433 UKTVTFRNZVSPDP-QFIPXVFZSA-N 457.556 2.255 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCC([C@@H]3CCOC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1749739348 AVRPLBKRVRCBMO-NFBKMPQASA-N 482.647 2.172 30 10 JEEE CC(=O)N1CCC[C@@H](Cn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N(C)[C@@H](C)CC#N)C1 1749817138 IFWUORQTZKUNGQ-PKOBYXMFSA-N 487.630 2.192 30 10 JEEE CC(=O)N1CCN([C@@H]2CN(c3nnc(CC(C)(C)C)n3Cc3ccc(C#N)o3)C[C@H]2C)CC1 1749884218 OVJABXDURHOXQC-DYESRHJHSA-N 453.591 2.368 30 10 JEEE CC(C)(C)S(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1750517955 GQWCAGHGMHDYHC-HXUWFJFHSA-N 483.598 2.132 30 10 JEEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 1760157507 RLEZQBUNYIWKHJ-NZQKXSOJSA-N 480.661 2.370 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCSCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1760188642 LFWNKWVPVPUETO-HXUWFJFHSA-N 470.624 2.239 30 10 JEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ccc(NC(N)=O)cc1 1760205624 GGQDGMDVNILZBP-UHFFFAOYSA-N 469.553 2.064 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCN2CCCO[C@@H](C)C2)CC1 1760254567 BFCUYUVKWFCUSY-SFHVURJKSA-N 490.450 2.292 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H](C(C)C)N2CCCC2)CC1 1760266346 WGVOGPLQZQSCHF-GJZUVCINSA-N 486.661 2.016 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2cc(C)cc(C)c2)CC1 1760269501 JXHYKMXUPKWHIB-QFIPXVFZSA-N 483.638 2.006 30 10 JEEE C#CCSCCn1c([C@@H](C)CC)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1760275210 SDUQFGIQPNBKTM-HNNXBMFYSA-N 468.674 2.434 30 10 JEEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1760276183 WHUKTHACUIFYIX-UHFFFAOYSA-N 492.627 2.470 30 10 JEEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 1760278646 CEZQWZTUWSDNFS-UHFFFAOYSA-N 483.686 2.467 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)cc2OC)n1CCN/C(O)=C1\N=CC=CC1=O 1760291728 ADBZPOPVBWHXSF-XTAOWTACSA-N 476.537 2.481 30 10 JEEE C=C(C)CN(CC)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1760340740 MHQOEKJFZFAXRJ-LJQANCHMSA-N 458.588 2.413 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H]2CCCCO2)nnc1N(C)CC(=O)N1CCOCC1 1760533202 NSBMMFGLNDQAOW-OAQYLSRUSA-N 455.559 2.428 30 10 JEEE C=CCSCCn1c(COc2cccc(C)c2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1760569571 SGWSPNBARAKIAH-UHFFFAOYSA-N 484.626 2.012 30 10 JEEE CCC[C@@H](C)C(=O)NCCn1c(-c2cccnc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1765475697 IFSUKWURMXTXMD-RTBURBONSA-N 488.600 2.269 30 10 JEEE C#CCOC(=O)NS(=O)(=O)c1ccc(CCNC(=O)CCCOc2ccc(OC)cc2)cc1 1859012653 NEMKSRPKFHKYPY-UHFFFAOYSA-N 474.535 2.261 30 10 JEEE COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2C[C@H](C)O)cc1OC 1862610216 FVWCGEMCSCKYGM-YEJXKQKISA-N 455.463 2.434 30 10 JEEE CC(C)(NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 1866858406 PACJJNWLMAWDJY-GOSISDBHSA-N 489.623 2.206 30 10 JEEE C#CCOc1cn(CCc2ccc(S(N)(=O)=O)cc2)c(CSc2ccccn2)cc1=O 1870302617 XCJVSTUGDDKWMC-UHFFFAOYSA-N 455.561 2.438 30 10 JEEE C=CCN(CC=C)c1nc(=NCCCO)nc(Nc2ccc(C(=O)NCCN(CC)CC)cc2)[nH]1 1871705246 VVAVWEQHKHQXCS-UHFFFAOYSA-N 482.633 2.081 30 10 JEEE CC(C)N1C(=O)CS[C@H](C(=O)N2CCN(c3nccc(N(C)C)n3)CC2)[C@H]1c1ccc(C#N)cc1 1889638175 NJOKGDKFQSZDBX-PKTZIBPZSA-N 493.637 2.157 30 10 JEEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)N3CCN(c4cc(C)[nH]c(=NCC)n4)CC3)n[nH]2)c1C 1890070510 WRVWHWUXVMYTSF-UHFFFAOYSA-N 463.590 2.381 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCC[C@H](B2OC(C)(C)C(C)(C)O2)C1)C1CS(=O)(=O)C1 1890786495 WKRNXASCHGQLGO-JKSUJKDBSA-N 472.413 2.009 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)NC[C@@]1(O)CCCN(C(=O)OC(C)(C)C)C1 2081463938 DJJBNPKLCGPRED-ZHRRBRCNSA-N 454.568 2.452 30 10 JEEE CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2255706925 PPFXBGJKXLNDIX-KGLIPLIRSA-N 452.382 2.411 30 10 JEEE CO[C@@H](CNC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1nscc1B1OC(C)(C)C(C)(C)O1 2256623140 BDOYREQXNQBFNZ-OCCSQVGLSA-N 455.386 2.159 30 10 JEEE CC(C)(C)OC(=O)NC[C@]1(F)C[C@@H](CNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2267092028 LUABDJAFQAOAHA-IPVJXJPOSA-N 452.336 2.082 30 10 JEEE Cn1nc(C(=O)NC[C@H]2C=CCN2C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2267503097 XUSWFYZPDFDCNR-CYBMUJFWSA-N 466.775 2.278 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCN(CC(=O)NCc2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2268636609 FQVJMZAKWZDAGS-MRXNPFEDSA-N 465.425 2.263 30 10 JEEE CC(C)(C)OC(=O)N[C@H](C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)[C@@H]1CC=CCC1 2268712246 VZUMWFCYXJZVPF-KGLIPLIRSA-N 464.397 2.447 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@@H](NC(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2F)C1 2281778274 RBGSHEKYJHOIJW-HNNXBMFYSA-N 464.343 2.491 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2C[C@@H]2[C@H]1CNC(=O)OC(C)(C)C 2281971990 YRFHPSCHFPZLTC-YQQAZPJKSA-N 460.384 2.187 30 10 JEEE Cn1cc(C(=O)N2CCCC[C@H](CNC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2281980763 KPEOFWRTMRSAKZ-MRXNPFEDSA-N 462.400 2.486 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)(C(F)(F)F)C1 2281987218 YMIJUCQIAGWYQL-LJQANCHMSA-N 474.289 2.381 30 10 JEEE C[C@@H]1CC[C@H](NC(=O)C(F)(F)F)CN1C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2282050789 DGSJZILPZWIAHH-YPMHNXCESA-N 459.249 2.192 30 10 JEEE COC(=O)[C@@H](CCNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1)NC(=O)OC(C)(C)C 2282186218 RFEOZUXPNIDYNJ-QGZVFWFLSA-N 462.352 2.172 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCCO[C@H]2[C@@H]1NC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2282514469 DIKHQOCCSMKZLI-DSJMHWKBSA-N 479.408 2.243 30 10 JEEE CO[C@@](C)(CNC(=O)c1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C)COCc1ccccc1 2282551976 NHHJJESWVRDQDH-DEOSSOPVSA-N 457.380 2.379 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]3C[C@H]2[C@@H]1[C@H]3NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2282583870 PPZCQTCOUBWKIB-GFISCPRKSA-N 458.368 2.083 30 10 JEEE Cn1nc(C(=O)N[C@@H]2[C@H]3CCCCN(C(=O)OC(C)(C)C)[C@H]32)cc1B1OC(C)(C)C(C)(C)O1 2282627286 HGXCYAKJJBJWCT-ZTFGCOKTSA-N 460.384 2.237 30 10 JEEE CC(C)(C)OC(=O)N1[C@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C[C@@H]2COC[C@@H]21 2282637226 WGAGTEZPLVSZES-HFTRVMKXSA-N 461.368 2.068 30 10 JEEE Cc1ccc(C(=O)NCC2(O)CC(NC(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2282695192 ZECRWKLGHKEGMB-UHFFFAOYSA-N 460.380 2.442 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)[C@H]2COC[C@H]12 2282710298 MSSPLKDEHGGXKC-QRVBRYPASA-N 458.364 2.350 30 10 JEEE C[C@@H]1C[C@H](NS(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CCN1Cc1ccccc1 2282853952 LMEPMFYDZHZRGJ-IEBWSBKVSA-N 474.436 2.051 30 10 JEEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@@H]1C[C@@]1(C(=O)N=c1nc(B3OC(C)(C)C(C)(C)O3)[nH]s1)C2 2283944287 LFQQKJNUXRLGRR-RMVXASLFSA-N 476.408 2.376 30 10 JEEE CN(C)c1ccc([C@@H]2C(=C(O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN2CCOCC2)cc1 2297744351 DVZREYFHHNXHPQ-XMMPIXPASA-N 493.560 2.278 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H]1NC(=O)c1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1O 2339416151 SFQBTJKMROAUGO-MLGOLLRUSA-N 450.316 2.474 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2C[C@@H](NC(=O)c3ncc(B4OC(C)(C)C(C)(C)O4)cn3)C[C@@H]21 2359267007 JOJAIJKICBMWCE-ORQFMDKSSA-N 458.368 2.197 30 10 JEEE Cc1c(C(=O)N[C@H]2C[C@@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)nn1C 2359278455 UOKVLOQTDDJWDY-OWCLPIDISA-N 460.384 2.155 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2[C@@H]3CCCN(C(=O)OC(C)(C)C)[C@H]32)n1C 2362478346 KRQUAZPLRXGDST-ARFHVFGLSA-N 460.384 2.155 30 10 JEEE CC(=O)c1c(C)[nH]c(C(=O)/C(=C(\S)NCCN2CCOCC2)[n+]2ccc(N(C)C)cc2)c1C 28694440 VWTPPHWDSPJJHQ-UHFFFAOYSA-O 472.635 2.048 30 10 JEEE CC[C@H](C(=O)Nc1ccc(S(=O)(=O)N(CC)CC)cc1)n1c(N)nnc1SCC#N 40173425 HDUYZGQDNYATBV-OAHLLOKOSA-N 451.578 2.096 30 10 JEEE C#CCN(C(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1)[C@H]1CCS(=O)(=O)C1 729332694 VBXCZWYHGFODLH-SFHVURJKSA-N 456.486 2.207 30 10 JEEE COc1ccc(CNC(=O)CSc2n[nH]c(NN=Cc3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2)cc1 1084013369 ZQNKYSGPOCOPOE-UHFFFAOYSA-N 486.470 2.484 30 10 JEEE Nn1c(NN=Cc2cccc(O)c2)nnc1SCCC(=O)Nc1ccc2c(c1)OCCO2 1084634656 WXLCAPSLBKYWDN-UHFFFAOYSA-N 455.500 2.036 30 10 JEEE COc1ccc(CN2CC[C@@H](NC(=O)CCc3c(C)nn(CCC#N)c3C)C2=O)c(OC)c1 1140231038 HSVIRXCMOBIMFM-OAQYLSRUSA-N 453.543 2.281 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2Cc2nnc(C(C)(C)C)s2)c1 1286308617 BRWYXHMNGHGXCE-KRWDZBQOSA-N 492.609 2.483 30 10 JEEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1286353307 UGBBZOFTELMARS-NBGIEHNGSA-N 499.616 2.485 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@](C)(O)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 1286380426 IEXNOVHQIVSCSU-RDPSFJRHSA-N 493.674 2.155 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1286385237 LQSNWOLCXHISHX-RCCFBDPRSA-N 462.547 2.363 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1ccnc(C(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 1286387873 VQLWKTWPYYQOMV-OAHLLOKOSA-N 464.473 2.362 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CC(C)(C)c2ccc(F)cc2)CC1 1286494833 TWDZTLQXMZVRAM-UHFFFAOYSA-N 480.588 2.483 30 10 JEEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 1286504447 RIICENRDHLBXEP-UHFFFAOYSA-N 451.604 2.285 30 10 JEEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1286613058 PEICHZJJMDOPMY-QZTJIDSGSA-N 461.588 2.247 30 10 JEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2cc(OC)c(C)cc2C1 1286700930 STHBRYIQUOANOZ-NRFANRHFSA-N 475.615 2.457 30 10 JEEE C=CCN(CC=C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC1(O)CCS(=O)(=O)CC1 1286753246 YNCMIAXNNLZUTE-UHFFFAOYSA-N 468.583 2.453 30 10 JEEE C=CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1286774178 AXHJZNQUYBDCHY-SJORKVTESA-N 468.624 2.097 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1286780452 UJZWYLALANHDIV-UHFFFAOYSA-N 457.966 2.239 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1286781974 GMTMTGKSRYVTDZ-QWHCGFSZSA-N 479.404 2.319 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCCN(CC(F)(F)F)CC1 1286792473 YWVAIUNZRVUMNW-UHFFFAOYSA-N 482.507 2.242 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Br)s3)n2CC(=O)N2CCOCC2)C1 1286802183 POUUPKNICYMMSX-AWEZNQCLSA-N 482.404 2.409 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H](c1ccccc1)C1CC1)[C@H]1CCS(=O)(=O)C1 1300479347 MCTDEVQGYWKVJV-SFTDATJTSA-N 469.611 2.237 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1C[C@H]1CCN(CC(F)(F)F)C1)[C@@H]1CCS(=O)(=O)C1 1300483158 IHXCARMBBRXIPL-IXDOHACOSA-N 461.554 2.303 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCO[C@@H]1C(=C)C)[C@@H]1CCS(=O)(=O)C1 1300489933 WFMNZAIVHYFMNW-BHDDXSALSA-N 465.579 2.425 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CCc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1300502075 QODSHEXSKLKIOK-OAQYLSRUSA-N 465.579 2.142 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1300547675 AULDLUUESSBNKE-UHFFFAOYSA-N 494.603 2.387 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2ccc(NC(C)=O)nc2)CC1 1300689326 UJXYPCFTGLXPIB-UHFFFAOYSA-N 460.498 2.010 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC2(O)CCC2)CC1 1300731472 QCGFCBYIIAHWPK-UHFFFAOYSA-N 457.962 2.391 30 10 JEEE C=CCCOCCn1c(-c2cccc(C)n2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1301249726 XVWYPRDJUQYPRJ-XXBNENTESA-N 467.618 2.230 30 10 JEEE C=CCN(c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCS(=O)(=O)CC)C1CC1 1301326656 FJMAZKRNXGXELI-KRWDZBQOSA-N 469.608 2.176 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N(C)CC(=O)Nc1cc(F)cc(F)c1 1301508745 SSXRTBOGECVWQY-UHFFFAOYSA-N 494.506 2.172 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@](C)(CC)C1 1301576654 GUSAVXHCYCFWQW-NRFANRHFSA-N 456.576 2.148 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@@](C)(C#N)C1 1301588045 ZYWYWKLXCZLYCZ-QFIPXVFZSA-N 453.572 2.247 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(CC2CCOCC2)CC1 1301589602 ULRCHSNOTWUOAD-UHFFFAOYSA-N 453.653 2.016 30 10 JEEE CC[C@H](C)NC(=O)c1cccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@@](F)(C#N)C2)c1 1305625857 FJYNWYDZDUXLLW-TUVUNVSASA-N 453.522 2.248 30 10 JEEE C#CCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC(NS(C)(=O)=O)CC1 1358922231 XPNMQYLVMGABRG-UHFFFAOYSA-N 453.515 2.478 30 10 JEEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1358941376 HUYXBGCDXFPDFR-ROUUACIJSA-N 459.616 2.306 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1Cc1ccco1)[C@H]1CCS(=O)(=O)C1 1358956374 DXTSVONMNFVGOI-HNNXBMFYSA-N 478.372 2.314 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1ccnc(SC)c1 1359023795 WSLNEAPLDMIKLK-UHFFFAOYSA-N 475.578 2.443 30 10 JEEE C#CCSCCn1c(-c2ccccc2C)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1359053420 MMLFXLBVODQBNG-UHFFFAOYSA-N 452.628 2.364 30 10 JEEE C#CCSCCn1c(-c2ccccn2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1359054388 UEJHTMYMSDXVQO-SIKLNZKXSA-N 467.643 2.085 30 10 JEEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1359210278 OKRKKRAMDTZHHR-UHFFFAOYSA-N 486.642 2.059 30 10 JEEE C=CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCO[C@@H](C(=O)NC)C1 1359214292 YLFQMHKCHBGTOJ-LJQANCHMSA-N 465.558 2.153 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCOC[C@@H]1C 1359271879 GCAZDINQDJVOJA-PMACEKPBSA-N 476.622 2.486 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1359327553 FDUHNUPYWKKIQL-CABCVRRESA-N 484.420 2.499 30 10 JEEE N#Cc1c(F)cccc1N1CCN(S(=O)(=O)c2ccccc2S(=O)(=O)C(F)F)CC1 1474808104 DTOQNATWIYHVGP-UHFFFAOYSA-N 459.471 2.205 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@H]1CCCN1CC 1497055528 FIKQSLQNUALGLA-UYAOXDASSA-N 494.648 2.058 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1cccc(CN(C)CC)c1)[C@@H]1CCS(=O)(=O)C1 1507633415 DKFWNJSNKPNKAM-XMMPIXPASA-N 492.649 2.391 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC(=O)NCC2CC2)CC1 1507735854 IKTVHGVOLPYRCQ-QGZVFWFLSA-N 482.560 2.049 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCc2nc(C(F)(F)F)cs2)CC1 1507740252 ZDZUOGRCBBPURR-HNNXBMFYSA-N 482.532 2.466 30 10 JEEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2nc3cc(C)ccc3o2)CC1 1507823906 LKJRYNAMMRJJMJ-MRXNPFEDSA-N 459.576 2.241 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(c2nccc(OC)n2)CC1 1507825423 WKOMBQYTFBXKPS-UHFFFAOYSA-N 469.571 2.050 30 10 JEEE C=CC1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(N3CCO[C@@H](C)C3)nc2)CC1 1507893048 BLHCVRAARPIIIC-SFHVURJKSA-N 453.591 2.487 30 10 JEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C)cc2)C(=O)C1 1508161451 MBAHJIUSIJZXNN-GOSISDBHSA-N 475.640 2.261 30 10 JEEE CO[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N(C)C2CCCCC2)C[C@H]1OC 1519500595 BSHFLEVHJYFVDB-OYRHEFFESA-N 452.559 2.458 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(C(=O)N(C)C)CCCC1 1539003473 OHULLQZGYBBUBX-KRWDZBQOSA-N 461.570 2.299 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCNC(=O)c1cc[nH]n1 1539010745 CGNQNHCSUGXBIE-IAGOWNOFSA-N 470.578 2.004 30 10 JEEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1Cc1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 1539206583 RRIMZFDLRSMMJL-LEWJYISDSA-N 452.584 2.229 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCN(C(C)C)C(C)C)[C@H]1CCS(=O)(=O)C1 1539231790 WLJBMQZMHYXSFQ-VQTJNVASSA-N 451.637 2.265 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCO2)n1C[C@H]1CCCN1S(C)(=O)=O 1539392858 XXUOTRPPEJZYRV-WOJBJXKFSA-N 461.563 2.333 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@@H](C)CN2CCOCC2)CC1 1539437752 HWHKYYOXWAAAJF-KRWDZBQOSA-N 493.475 2.493 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)c1nc(C)cs1 1539556486 DKKIBIMDUFUKGV-QLVMHMETSA-N 478.644 2.172 30 10 JEEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1539706991 ZHUYYTMDMFDLOT-NTKDMRAZSA-N 476.622 2.464 30 10 JEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2cccc(Cl)c2)C1 1540858154 JLUPYSJORZUKGL-ROUUACIJSA-N 467.979 2.028 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1540866422 MTBIJVGFTOIQPW-QGZVFWFLSA-N 451.980 2.304 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccc(C(=O)NC)cc1 1540866499 PBLIDQDPSALURY-UHFFFAOYSA-N 453.934 2.292 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)[C@@H]1CCSC1 1540869514 PBPDZXIGOBCMRF-MRXNPFEDSA-N 467.599 2.480 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCOC3)n2CCNC(=O)c2cccc(OC)c2)C1 1540890691 IOROFDJEKQXHDO-FPOVZHCZSA-N 455.559 2.392 30 10 JEEE CCOc1cc(Cn2c(C(=O)NC(CC)CC)nnc2N2CCO[C@H](C#N)C2)ccc1OC 1547939073 DAEYOJLMECATCD-GOSISDBHSA-N 456.547 2.381 30 10 JEEE CCOc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCS(=O)(=O)C(C)(C)C)cc1OC 1547957095 HRYDBNQEZHOWPX-QGZVFWFLSA-N 477.587 2.294 30 10 JEEE CC(C)(CC#N)CNC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c1ccccc1Br 1556957467 BDWNBOVOPCBDDJ-HNNXBMFYSA-N 458.378 2.038 30 10 JEEE C=CC1(CC(=O)NCC2CCN(S(=O)(=O)C(F)F)CC2)CN(C(=O)OC(C)(C)C)C1 1565769340 YEGPVTMHNHPDJW-UHFFFAOYSA-N 451.536 2.180 30 10 JEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2c(F)cccc2OC)CC1 1587766860 ZPQFGDDPAILCQI-SFHVURJKSA-N 475.590 2.458 30 10 JEEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1587856861 SYNMSSMMJBKFMA-BHIFYINESA-N 456.635 2.212 30 10 JEEE C#CCCCn1c(N2CCC(NC(=O)COC)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1587893833 JAFZKXINYFGSLK-IZAXUBKRSA-N 474.606 2.194 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC2(O)CCC2)CC1 1588890533 BJYJYTBYZOVWJI-QGZVFWFLSA-N 455.534 2.438 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@H]2CCOC2)CC1 1588962203 XRXXZGGMKBEZTK-FQEVSTJZSA-N 451.571 2.476 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@H](c2noc(C)n2)C1 1589731974 YOSHZXWRYQAEPP-SFHVURJKSA-N 473.559 2.041 30 10 JEEE C=C(Cl)Cn1c(-c2cccnc2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1593858293 GYDNFVFBYZGXEO-UHFFFAOYSA-N 457.966 2.033 30 10 JEEE C=CCNC(=O)Cn1c(N2CCO[C@@H](c3ccc(Cl)cc3)C2)nnc1[C@]1(OCC)CCOC1 1595603186 ZFIKNZMUXBFZCC-XXBNENTESA-N 475.977 2.464 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1C[C@H](OC)C(C)(C)C1 1595789206 PGBKGDVFDDJXFC-KRWDZBQOSA-N 472.571 2.056 30 10 JEEE CC(C)(C)OC(=O)NCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1597584136 HXXBHNJVRBOTAS-FQEVSTJZSA-N 495.584 2.488 30 10 JEEE CC[C@@H](C)CN(CC)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1613397686 ATXGKHBSORPALQ-VGSWGCGISA-N 461.588 2.151 30 10 JEEE CN(Cc1ccccn1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCS(=O)(=O)C1 1617950090 HVIBEVDGHICAHM-SFHVURJKSA-N 452.540 2.195 30 10 JEEE N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)C2=NN(c3ccccc3)[C@H](C(N)=O)C2)CC1 1626676821 HEEPEDBIGOHYNQ-LEWJYISDSA-N 450.930 2.169 30 10 JEEE CC(C)C[C@H](NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCc1ccccc1 1629344633 BMFYBSMYYPOTOA-IBGZPJMESA-N 457.552 2.390 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1cc(S(=O)(=O)N2CCN(CC)CC2)ccc1Cl 1635311561 YUUGAYMVVCSNGN-JXFKEZNVSA-N 456.008 2.377 30 10 JEEE C#CCN1CCN(C(=O)c2cc(S(=O)(=O)N3CCc4ccccc4C3)ccc2Cl)CC1 1642208476 NOHBIZQDLMNWNW-UHFFFAOYSA-N 457.983 2.478 30 10 JEEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC2(O)CCCCCC2)c1 1649667475 GMSDGKCRPBKDQQ-LJQANCHMSA-N 488.614 2.009 30 10 JEEE C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CN(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CCO1 1668264671 CXKNNJLAWFPYFO-VQIMIIECSA-N 458.563 2.246 30 10 JEEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCCN1C(=O)OC(C)(C)C 1689954296 SGCNOVXKQWKWSC-LJQANCHMSA-N 463.546 2.390 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1Cc1ccc(-n2ccnc2C)nc1)[C@H]1CCS(=O)(=O)C1 1689992776 OUEWRRCEIZKPCM-FQEVSTJZSA-N 467.599 2.041 30 10 JEEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1CC1([S@@](C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1689996062 DGRWLWKIFRNANL-PSTIOWGYSA-N 490.651 2.012 30 10 JEEE C#CCN1CCN(c2nnc(CCCOc3ccc(Cl)cc3C)n2Cc2cnnn2C)CC1 1690130412 FWIZIIPFCUFJLM-UHFFFAOYSA-N 468.993 2.184 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(Br)cc3)n2Cc2cnn(C)c2C)CC1 1690132062 GBGKSAFJPKZMMS-UHFFFAOYSA-N 484.402 2.465 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(CC)cc3)n2CC2([S@](C)=O)CC2)CC1 1690139160 BXRGCZWJABPRET-YTTGMZPUSA-N 453.612 2.384 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1nnc(C(C)(C)C)s1 1690190534 XYCLWFYAZBYUPZ-BFUOFWGJSA-N 451.622 2.078 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccnc(SCC)c1 1690206648 WNEALIRUHXXMLM-XMSQKQJNSA-N 490.655 2.158 30 10 JEEE C=C(Br)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(NS(C)(=O)=O)CC1 1690223121 FEURGKKTMVHGLN-UHFFFAOYSA-N 484.376 2.100 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1690235861 FOUABUPHANYJPL-QMMLZNLJSA-N 471.606 2.489 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccccc2F)nnc1N(C)CC(=O)N1CCOCC1 1690248190 LJXYRCJMPVSLDJ-WMZHIEFXSA-N 457.550 2.284 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](c2ccccc2)O[C@H](C)C1 1690288303 QSLWRVUJQJIHNF-RLLQIKCJSA-N 461.588 2.154 30 10 JEEE C=C(C)COCCn1c(-c2ccccc2F)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1690306826 GPSXHZSYPBTNLZ-UHFFFAOYSA-N 490.561 2.317 30 10 JEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 1690310101 UBMJSHNWIFWYIC-RBUKOAKNSA-N 467.574 2.380 30 10 JEEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 1690464606 GXUHSKVKPRDUHP-AZUAARDMSA-N 499.703 2.367 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cc2cccnc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1690556224 QORJFQMEHGIXRV-DEOSSOPVSA-N 483.594 2.015 30 10 JEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1690675000 NDNXDPDMZKMGIW-UHFFFAOYSA-N 474.569 2.361 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)c1cccc(F)c1 1692660493 AQRPXHCYMONHNR-LPHOPBHVSA-N 478.594 2.466 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1cccc(N2CCCC2=O)c1 1692781603 GHBAEDBKPBSLMW-GAJHUEQPSA-N 485.614 2.193 30 10 JEEE CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)NC(C)C)C1 1695407988 DAKMWVPOUHSGPB-HXUWFJFHSA-N 451.575 2.474 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1CCCS(=O)(=O)C1 1705475784 VHNOMGBJVMALKI-WBVHZDCISA-N 463.991 2.144 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2sccc2c1 1705494876 HPPGRBGHVDKETM-CRAIPNDOSA-N 459.597 2.332 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1ccc(C[S@](C)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1705564910 FNHOKZGENXGWDF-PWXZAKGVSA-N 490.651 2.073 30 10 JEEE C#CCN(c1nnc(C2CCC2)n1Cc1cccc(C(=O)NCCC)c1)[C@@H]1CCS(=O)(=O)C1 1705566582 OJOSPHODFSSRIN-OAQYLSRUSA-N 469.611 2.360 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCNC(=O)C1CCC1 1705620426 TUHCKTWFIRPOTK-FQEVSTJZSA-N 487.601 2.266 30 10 JEEE C#CCN(CCOC)c1nnc(COc2ccc(Cl)cc2Cl)n1Cc1ncn(C)n1 1705630835 IPXONSCTYIMXBQ-UHFFFAOYSA-N 450.330 2.427 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H](OC)C(C)(C)C)CC1 1705634090 JDLWMAGYPIXHBU-HXUWFJFHSA-N 459.616 2.165 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CC2(S(C)(=O)=O)CC2)CC1 1705651134 LDMQJYATNZMLPP-UHFFFAOYSA-N 499.637 2.017 30 10 JEEE C=C(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H]1CCCOC1)c1ccccc1 1705742728 DJSZUYNPLKWHMD-CTNGQTDRSA-N 475.615 2.187 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(Br)s1 1705843496 HALOHDUPVFGMMO-AWEZNQCLSA-N 490.449 2.300 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@]1(O)CCSC1 1705863232 LGGHOEIXZSUOGI-QRWLVFNGSA-N 469.608 2.088 30 10 JEEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 1705907310 IDEWGOSEYZKBQX-SFHVURJKSA-N 482.614 2.227 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@H]2CCCN2C[C@H]1C 1705931325 MMAOSZYKAACHEN-IEBWSBKVSA-N 475.615 2.236 30 10 JEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](c2ccc(Cl)cc2)C1 1705937669 AQNKILHGJPSDJQ-LJQANCHMSA-N 494.017 2.233 30 10 JEEE C[C@H]1CSCCN1c1nnc(COc2ccc(C#N)cc2)n1CC(=O)NCC(F)(F)F 1708269200 HBWSUQXKSQVHHN-ZDUSSCGKSA-N 454.478 2.349 30 10 JEEE C[C@H]1OCC[C@@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(F)(F)F)CC1 1708275525 FNWVPYXLCSZDED-FOIQADDNSA-N 450.465 2.041 30 10 JEEE CCN(CC)CCCn1c(Cc2cccnc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1710062818 AHXRXJURQADTFQ-HXUWFJFHSA-N 474.617 2.373 30 10 JEEE CN(CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C#N)C1)C1CCCC1 1711207180 DVVRAVOMYRKPSR-FQEVSTJZSA-N 471.993 2.465 30 10 JEEE C#CCCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCCN(S(C)(=O)=O)CC1 1722317391 SYKIRHVTSGFFCT-FQEVSTJZSA-N 459.572 2.066 30 10 JEEE C#CCCCn1c(-c2ccc(Br)s2)nnc1N1CCN(S(C)(=O)=O)CC1 1722328142 MJZWBYIFSDJOBM-UHFFFAOYSA-N 458.407 2.264 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCc1ccc(C)cc1C)[C@@H]1CCS(=O)(=O)C1 1722359425 SSSYRNSDMQVHCA-OAQYLSRUSA-N 492.605 2.412 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H](OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1722360479 UPDYLWUORFUVTP-NQIIRXRSSA-N 474.583 2.014 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2c(F)cccc2F)n1Cc1ccc(N2CCOCC2)nc1 1722384561 WIDYPHSMYPIWRH-UHFFFAOYSA-N 462.504 2.500 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCc2ccc(O)cc2)CC1 1722437677 OSWPLLPICQNHFJ-QFIPXVFZSA-N 496.612 2.290 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC[C@H]2CCOC2)CC1 1722442910 IAKRGYUFPFJWTD-SFHVURJKSA-N 467.570 2.355 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2Cc2ncccc2N(C)C)CC1 1722444710 DSQOUIACSYWHIF-UHFFFAOYSA-N 473.581 2.429 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2CC2(S(C)(=O)=O)CCC2)CC1 1722445861 ZDSJTECMZMDWNW-UHFFFAOYSA-N 473.574 2.017 30 10 JEEE C=C(C)COCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1722527732 ACXXRNIQGCPBFX-IBGZPJMESA-N 463.586 2.199 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CCSCC 1722555180 KAHPITOXQQEVCZ-GJZGRUSLSA-N 452.046 2.331 30 10 JEEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ncccc1N(C)C 1722632130 IRLDPQVVYCYYEB-UHFFFAOYSA-N 455.588 2.327 30 10 JEEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(C)(C)N1CCOCC1 1722641290 ZNDOOMNUGCIVAT-GOSISDBHSA-N 464.611 2.320 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC2(CCN(C)C2=O)CC1)C(C)C 1722664672 FINSKIIISBXQPC-RTWAWAEBSA-N 483.661 2.377 30 10 JEEE C=CCn1c(-c2ccccc2OC)nnc1N1C[C@@H]2[C@@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1722703640 XHKBEOFKYWGPCS-AOIWGVFYSA-N 489.598 2.266 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(Cl)cc2F)C1 1722717374 AGDXHIWAQFZOQS-IEBWSBKVSA-N 499.996 2.233 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 1722727444 IOAGSSVAIJCMAD-SFHVURJKSA-N 490.586 2.008 30 10 JEEE CC(=O)N1CCN(CCn2c(COc3cc(C)ccc3C)nnc2N(C)C[C@H](C)C#N)CC1 1722798299 ABALUTJUFCVKIO-LJQANCHMSA-N 453.591 2.234 30 10 JEEE C[C@@H]1COCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](CC(N)=O)C1 1726740327 FUJNMHSVDOAINO-MISYRCLQSA-N 452.559 2.493 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1cccc(S(=O)(=O)NC)c1 1740537288 SVSVOMYLRMOIBM-ZDUSSCGKSA-N 477.388 2.450 30 10 JEEE C#CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCNC(=O)[C@H]1CC 1740574091 JNYKVAUSAFFWPQ-QZTJIDSGSA-N 460.579 2.105 30 10 JEEE C#CCCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC[C@@H](C(N)=O)C1 1740576637 BWDOUWKGKABJQQ-JOCHJYFZSA-N 463.630 2.148 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCSCc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1740615622 IAIMFVKMAUEWGF-GOSISDBHSA-N 493.630 2.116 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1CCN(C)C1CCCC1)[C@@H]1CCS(=O)(=O)C1 1740622213 WEMMKYVXFZIUCS-HXUWFJFHSA-N 471.627 2.455 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2CCNC(=O)c2cccs2)CC1 1740708136 CXUKYWILXMSKHR-UHFFFAOYSA-N 482.635 2.388 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2C[C@@H]2CCC[C@@H](O)C2)CC1 1740708691 ZECVQAHOTBURQE-IFMALSPDSA-N 465.598 2.417 30 10 JEEE C#CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CCn2nc(C)nc2C1 1740711545 PRMRPFUJOFEDIZ-UHFFFAOYSA-N 461.393 2.333 30 10 JEEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(CNC(C)=O)CC1 1740788306 RAOHRTNMYQQOKU-UHFFFAOYSA-N 475.615 2.294 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1740968367 IKSFPKWRPMDVNT-PZJWPPBQSA-N 468.602 2.186 30 10 JEEE C[C@H](c1ccco1)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1741791897 FWIRRMKBTQFGKD-ZHRRBRCNSA-N 471.539 2.069 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1Cc1cccc(C(OC)OC)c1)[C@@H]1CCS(=O)(=O)C1 1748812589 XGAOFDKVYZAPAO-HXUWFJFHSA-N 483.594 2.250 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cccnc1OC 1748857848 GHIHQHMLTWBLMM-LJQANCHMSA-N 466.542 2.111 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CC12CCOCC2 1748964618 KTZIXYSEOBNBBS-WOJBJXKFSA-N 489.617 2.489 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CCCOC[C@H]2CCOC2)CC1 1749008901 IXCLXECPFSVKGE-HXUWFJFHSA-N 466.586 2.058 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(CCc2ccccc2)n1CCNS(=O)(=O)Cc1ccon1 1749072560 RTGGOOITEDWPTI-HSZRJFAPSA-N 468.583 2.163 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCN(c2cnn(C)c2)CC1 1749118770 JLIMCVCRLOPJKP-SBHAEUEKSA-N 459.595 2.043 30 10 JEEE C=C(C)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1749198632 OXTSPEDRSHWKLC-LJQANCHMSA-N 450.591 2.129 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H](N2CCOCC2)C(F)(F)F)C1 1749708024 HGZIBXMJUKSMDD-KSZLIROESA-N 459.513 2.217 30 10 JEEE CS(=O)(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC2CCOCC2)C1 1750197336 FILCNDAJSFHLHJ-HXUWFJFHSA-N 459.572 2.169 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccccc2Cl)CC1 1760155177 RSIDUKZWFNXSMX-HXUWFJFHSA-N 493.033 2.004 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CCCc1cccc(C)n1)[C@H]1CCS(=O)(=O)C1 1760188999 FDKJVONNNNTXGV-QFIPXVFZSA-N 464.595 2.227 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)N1C[C@@H](C)C[C@H](C)C1 1760209814 IBBHOGSBEVZQHT-UFYCRDLUSA-N 462.664 2.108 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](CC)c3ccccc3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1760266371 XCJPDEGKDOWUCU-YTFSRNRJSA-N 465.598 2.326 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2CCCO[C@@H]2C(C)C)CC1 1760273565 YHZQRNLHFCPCJB-ACESQOTJSA-N 487.645 2.419 30 10 JEEE C=C(C)COCCn1c([C@H]2COc3ccccc3O2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1760357543 KTYVYEBECMQDJK-FXAWDEMLSA-N 462.572 2.397 30 10 JEEE C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1)c1ccccc1 1760362315 HDPFUPLPQWEYRH-GHTZIAJQSA-N 485.614 2.396 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Br)nnc1N1CCC[C@@H](C(N)=O)C1 1760553647 XXMULPSEAFKWPN-CQSZACIVSA-N 482.404 2.010 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCNC(C)=O)[C@H]2c2ccc3c(c2)OCCO3)cc1OC 1862574187 NBNQQDJUQJZHRO-QFIPXVFZSA-N 482.489 2.189 30 10 JEEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1ccc([N+](=O)[O-])cc1 1862630306 QSUXJFLBAYLBRB-IBGZPJMESA-N 453.407 2.038 30 10 JEEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1862762210 DOOUEQOWZDSQRQ-WYRIXSBYSA-N 485.405 2.233 30 10 JEEE CCOc1cc(N2CCOCC2)c(OCC)c2c(=O)c(C(=O)N(CCC#N)CCC#N)c[nH]c12 1866450312 UFZWLVHVGDBACS-UHFFFAOYSA-N 467.526 2.432 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)N=c2nc3nc(C)cc(C)n3[nH]2)cn1CC(C)C 1870428505 IEEKFDMRMNTURW-UHFFFAOYSA-N 479.585 2.172 30 10 JEEE COC(=O)CSc1nnc(C(C)C)n1/N=C/c1ccc(OCCN2CCOCC2)c(OC)c1 1874513988 AMBILOGTZLCDGQ-OEAKJJBVSA-N 477.587 2.268 30 10 JEEE CC(C)(C#CC(=O)NCC1(CO)CCN(C(=O)OC(C)(C)C)CC1)NC(=O)OC(C)(C)C 2082698609 RDOGLFAVWPMUGK-UHFFFAOYSA-N 453.580 2.419 30 10 JEEE CC1(C)OB(c2cccc(CCNS(=O)(=O)N3CC(OCc4ccccc4)C3)c2)OC1(C)C 2178298713 WGFFAIGAUNCKBH-UHFFFAOYSA-N 472.416 2.264 30 10 JEEE CC(C)(C)OC(=O)N[C@]1(C(=O)N2CC[C@H]3C[C@@]3(B3OC(C)(C)C(C)(C)O3)C2)CCS(=O)(=O)C1 2194122482 BBTHVNJYKONHJF-ITEAAPOESA-N 484.424 2.153 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H]1NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2247950269 DHJRVVHQJHHGQB-TZMCWYRMSA-N 458.411 2.239 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1COC[C@H]1NC(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2255534794 LXFIGHBDTSBMBE-CZUORRHYSA-N 452.382 2.317 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]1NS(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2255950111 HOGQAYRIUZVPBX-SJORKVTESA-N 452.382 2.320 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@H]1CC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2256615898 YEQBDEZYAXPICZ-CYBMUJFWSA-N 453.370 2.407 30 10 JEEE Cn1nc(C(=O)N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2267184546 NGVFKQCCUPLZLT-ZDUSSCGKSA-N 468.791 2.360 30 10 JEEE CC(C)(C)OC(=O)N1CC=C[C@H](NS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2267472313 OGTUOFFVSIIINM-AWEZNQCLSA-N 485.437 2.037 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@H]1NS(=O)(=O)c1c(F)cc(F)cc1B1OC(C)(C)C(C)(C)O1 2267472688 UFWBFUHHOMGPEM-LSDHHAIUSA-N 474.335 2.208 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H]1NS(=O)(=O)Cc1ccccc1B1OC(C)(C)C(C)(C)O1 2267710056 MYYRJJANBBZLOL-ROUUACIJSA-N 466.409 2.461 30 10 JEEE CC1(C)OB(c2cnccc2C(=O)NC[C@@]2(O)CCCN(Cc3ccccc3)C2)OC1(C)C 2281805530 AGKNNGMLOOPDOE-VWLOTQADSA-N 451.376 2.138 30 10 JEEE CCc1nn(C)c(C(=O)N[C@]23C[C@H]2CN(Cc2ccccc2)C3)c1B1OC(C)(C)C(C)(C)O1 2281987083 XHTKFWNGQWRODG-BVZFJXPGSA-N 450.392 2.286 30 10 JEEE CC(C)(C)OC(=O)NCCC1(O)CCN(C(=O)c2occc2B2OC(C)(C)C(C)(C)O2)CC1 2282034485 IQJJCAYRVNVDFQ-UHFFFAOYSA-N 464.368 2.461 30 10 JEEE Cc1cc(S(=O)(=O)N(C)C[C@H](O)COCc2ccccc2)ccc1B1OC(C)(C)C(C)(C)O1 2282325217 BFPLFKXJGSEWLK-FQEVSTJZSA-N 475.416 2.492 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCC(F)(CNC(=O)OC(C)(C)C)CC2)n1 2282553952 WPRWAPZMQDUGAJ-UHFFFAOYSA-N 466.363 2.188 30 10 JEEE Cn1cc(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 2282555315 RENNREAPIAPPJD-BFYDXBDKSA-N 460.384 2.095 30 10 JEEE Cc1ccnc(C(=O)NC[C@@]2(NC(=O)OC(C)(C)C)CCOC2)c1B1OC(C)(C)C(C)(C)O1 2282571551 CQQCAWCZALVQPG-QHCPKHFHSA-N 461.368 2.103 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1C[C@H]2[C@H]1CCN2C(=O)OC(C)(C)C 2282593704 UNXQPVNNDYTISS-UAGQMJEPSA-N 460.384 2.330 30 10 JEEE C[C@H](CNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)o1)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 2282626362 GHWKBIHDIHJINM-CMJOXMDJSA-N 464.368 2.317 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H](O)C1 2282673673 ZKQLZMSZOYFGIQ-SFHVURJKSA-N 460.380 2.348 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](C2CN(C(=O)c3ncncc3B3OC(C)(C)C(C)(C)O3)C2)C1 2282695718 SCLMGRPLXKRVRE-HNNXBMFYSA-N 458.368 2.105 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1NC(=O)[C@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C 2283949328 XWFUIXJROKHIEN-NVXWUHKLSA-N 462.352 2.303 30 10 JEEE CC(C)(C)OC(=O)NCC1(C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)CCOCC1 2283985738 MTGAQRNDGGWANU-UHFFFAOYSA-N 481.424 2.380 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](C(=O)NCc1ccccc1B1OC(C)(C)C(C)(C)O1)C1(O)CCC1 2284065536 ITTRVWWEGRNWPH-SFHVURJKSA-N 460.380 2.410 30 10 JEEE CC1(C)OB(c2ccc(C(=O)NCCN(CC(=O)O)Cc3ccccc3)c(F)c2)OC1(C)C 2284335299 CIZKPVXWKCWVSQ-UHFFFAOYSA-N 456.323 2.442 30 10 JEEE CN(CC1(O)CCN(Cc2ccccc2)CC1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2286396160 MKTGMABKTYQALT-UHFFFAOYSA-N 453.392 2.413 30 10 JEEE COc1ccc(N2C[C@H](c3nnc(SCCO)n3N=Cc3ccccc3O)CC2=O)cc1 2325882368 JEJLFQOHQMBKDW-MRXNPFEDSA-N 453.524 2.479 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC2(CC(NC(=O)OCc3ccccc3)C2)C1 2337204568 MMIIXDJAXCVXEQ-UHFFFAOYSA-N 480.374 2.250 30 10 JEEE Cn1ncc(CNC(=O)OC(C)(C)C)c1NC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2337333554 BHBWCKYFJOWUKG-UHFFFAOYSA-N 463.369 2.453 30 10 JEEE Cn1nc(C(=O)N2C[C@H]3C[C@H](NC(=O)OC(C)(C)C)C[C@@H]2C3)cc1B1OC(C)(C)C(C)(C)O1 2359279279 YBBWSKFIPDZOEK-JYJNAYRXSA-N 460.384 2.237 30 10 JEEE CCOC(=O)[C@H]1C(c2ccc(C#N)cc2)[C@@H](C(=O)OCC)[C@@](O)(C(F)(F)F)N[C@@]1(O)C(F)(F)F 13467584 XJBOQDHLLNCDHU-FQVGPWKCSA-N 498.376 2.105 30 10 JEEE CN(C)c1ccc(/C=N/Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] 59500563 WJNHVYDIUSEYNV-DEDYPNTBSA-N 478.487 2.036 30 10 JEEE NS(=O)(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@H]2c2ccncc2)cc1 170359021 KRGZUANJTQLWRL-LJQANCHMSA-N 480.458 2.420 30 10 JEEE Cc1ccccc1NC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1-c1ccc(C(N)=O)cc1 522536652 CZJRMHWFODIDSE-UHFFFAOYSA-N 480.549 2.448 30 10 JEEE CC1CCN(c2ccc(C(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)cn2)CC1 608902972 URPOXZYYUXTRLL-UHFFFAOYSA-N 453.568 2.336 30 10 JEEE C=CCn1c(=C(C#N)C(=O)Nc2ccccc2OCC)sc(=Cc2cnn3ccccc23)c1=O 729670428 FYLAESCOYDMODX-UHFFFAOYSA-N 471.542 2.284 30 10 JEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)[C@H]2CC(=O)N(c3cc(F)cc(F)c3)C2)c1 749502487 NRAMAQBUZZWYEY-SFHVURJKSA-N 467.472 2.191 30 10 JEEE CC#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@](O)(C(=O)O)C1 757198407 FNZPLGUOFLLCTQ-BKMJKUGQSA-N 462.502 2.355 30 10 JEEE Nn1c(NN=Cc2ccc(Br)cc2)nnc1SCC(=O)NCc1ccco1 1084178082 GYEKSIUVTVYNSO-UHFFFAOYSA-N 450.322 2.202 30 10 JEEE CCN(CC)[C@@H](CNC(=O)CCn1cc(C#N)c(O)nc1=O)c1ccc(C(F)(F)F)cc1 1142366390 IEDQQIZDDKEKQF-KRWDZBQOSA-N 451.449 2.429 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1CC1CCN(CC(F)(F)F)CC1)[C@H]1CCS(=O)(=O)C1 1286398118 GNZAGVDNFKOBDZ-ZWKOTPCHSA-N 489.564 2.031 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cccc2c1OCO2 1286408581 DMGQWMJXVDYTOR-LJQANCHMSA-N 479.537 2.436 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(C)o3)n2CCS(=O)(=O)Cc2ccccc2)CC1 1286475149 RYABYGWBUUFOKX-UHFFFAOYSA-N 453.568 2.217 30 10 JEEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1286507496 JINBIUPEGBZTSA-SFHVURJKSA-N 459.583 2.007 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1286779134 FGNPHNDVFWVKCF-UHFFFAOYSA-N 494.394 2.395 30 10 JEEE C=CCNC(=O)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1286790953 QSDYJFXMUSQNEF-HSZRJFAPSA-N 495.672 2.196 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ccc(F)cc2C)C1 1286808249 BBNNFDHBTHEUCK-SFTDATJTSA-N 493.605 2.083 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@]1(N(C)C)CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1300498081 GOCCZMHOADIJKI-KJWPAHLWSA-N 484.670 2.401 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1Cc1ccc([C@@H](C)O)cc1)[C@H]1CCS(=O)(=O)C1 1300502751 WQWWMSUCCDMJOL-IERDGZPVSA-N 485.635 2.362 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CCCS(=O)(=O)C1 1300535143 HZHCQZZIKVSDQI-UXHICEINSA-N 489.642 2.290 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ncnn1C(C)(C)C 1300632008 ZPSZUNSHCMVIQL-KRWDZBQOSA-N 472.594 2.441 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1300664771 FPMFPPWGOXSYSP-PKTZIBPZSA-N 453.587 2.221 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](C)Cc2ccc(OC)c(OC)c2)CC1 1300700757 VPJFFHUTZQHCAQ-PZJWPPBQSA-N 453.587 2.433 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC2CCN(CCN(C)C)CC2)CC1 1300710464 BWMXHWCQJLAVNP-DNQXCXABSA-N 485.721 2.226 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2Cc2csc([C@@H](C)OC)n2)CC1 1300732021 JUUNPDSDWQKIOL-CRAIPNDOSA-N 458.588 2.308 30 10 JEEE C#CCSCCn1c(N(C)C2CCC3(CC2)OCCO3)nnc1[C@]1(OCC)CCOC1 1300777261 SMSUUUMPTSISEY-NRFANRHFSA-N 450.605 2.419 30 10 JEEE C#CCSCCn1c(N(C)C2CCC3(CC2)OCCO3)nnc1[C@@]1(OCC)CCOC1 1300777265 SMSUUUMPTSISEY-OAQYLSRUSA-N 450.605 2.419 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1300991841 WDTDEFMHSQHXIC-ZWKOTPCHSA-N 483.635 2.219 30 10 JEEE C=C(Cl)Cn1c(-c2noc3c2COCC3)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1301037444 VAUWMIYIZOHXFQ-LSDHHAIUSA-N 464.954 2.126 30 10 JEEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1301059040 PIHMEAQWNUHOPG-YJBOKZPZSA-N 464.954 2.450 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(C(=O)NC(C)C)n1C[C@H]1CCC[C@H](O)C1 1301772067 CQTLSQNTRCRAKO-SFTDATJTSA-N 454.575 2.492 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1CCNC(=O)C(C)(C)C 1303372939 CUDSZILQERZQJH-UHFFFAOYSA-N 481.601 2.498 30 10 JEEE CCS(=O)(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)N(C)C)CC1 1314511736 HPQJDWUUIGJFDP-QGZVFWFLSA-N 460.604 2.082 30 10 JEEE CN(C)[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)C1)c1ccsc1 1314652090 CUPHEONMVBYNNY-IBGZPJMESA-N 451.556 2.029 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1358890978 XYHAKGVXKSAVHC-QAETUUGQSA-N 477.553 2.438 30 10 JEEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cccc(N2CCOCC2)c1 1358970262 JXLUNARUNJOFLZ-SANMLTNESA-N 463.582 2.276 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CC2(O)CC(OCC)C2)CC1 1359039018 TVMIOAITQZBZSG-UHFFFAOYSA-N 453.587 2.159 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2C[C@H](C)CN2CCN(CC)CC2)CC1 1359043294 PIQSTEBFYRBEAH-JOCHJYFZSA-N 491.684 2.493 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@](C)(O)c2cccc(Cl)c2)CC1 1359044365 DHILABUEAJPDQC-UUOWRZLLSA-N 471.989 2.309 30 10 JEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)NC2CCCCC2)CC1 1359056193 ZZFZOOWODQAKDF-IBGZPJMESA-N 458.632 2.261 30 10 JEEE C#CCSCCn1c(COc2ccccc2F)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1359061117 RSYWORFWHVJARR-UHFFFAOYSA-N 495.584 2.183 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(c2ccc(F)cn2)CC1 1359294042 ISHQLPQAWCTJBP-UHFFFAOYSA-N 489.353 2.199 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 1359297921 HBJDYBPMTNHMDL-UHFFFAOYSA-N 451.375 2.302 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(F)(F)c2ccccc2)C1 1359321965 NWKBSSUBTUMALF-OALUTQOASA-N 497.568 2.184 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1359333678 GJYFJSIOVUSQOL-QFIPXVFZSA-N 478.578 2.314 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCN1CCOC(C)(C)C1 1360473961 DPKFDSVDJUDPJB-INIZCTEOSA-N 450.547 2.443 30 10 JEEE C=CCS(=O)(=O)CCNC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccccc2OC)c1 1457714648 AFTDFALMTQFIAJ-UHFFFAOYSA-N 452.554 2.135 30 10 JEEE CCC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCS(=O)(=O)C2)CCO1 1500282406 AGHNPFCYNBOQJD-QUCCMNQESA-N 459.572 2.169 30 10 JEEE C#CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](CC(N)=O)C1 1507567720 OGJMVUUICMKSKO-OALUTQOASA-N 474.606 2.482 30 10 JEEE C#CCN(c1nnc(C)n1C[C@@H](c1ccccc1OC)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1507625987 MDZOPYYHUJUHCR-FPOVZHCZSA-N 457.600 2.059 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCC1CCC(OC)CC1)[C@@H]1CCS(=O)(=O)C1 1507636577 AWXLLQWXOOIMGX-CQJJOKNBSA-N 450.605 2.352 30 10 JEEE C#CCN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC1(C(N)=O)CCOCC1 1507690017 OQMXZJFQOFPJAQ-UHFFFAOYSA-N 474.606 2.134 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2CCSC2)CC1 1507734434 NBHOPVMCDBGYJE-QGZVFWFLSA-N 487.651 2.068 30 10 JEEE C=C(Br)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1507781239 RZYJBVBVFCWGRM-UHFFFAOYSA-N 491.390 2.036 30 10 JEEE C=C(Cl)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1507858330 BTLPYDGMKVGEJP-QGZVFWFLSA-N 466.007 2.260 30 10 JEEE C=CCCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1507926223 QGDKOUNBMJPZGU-UHFFFAOYSA-N 473.944 2.429 30 10 JEEE C=CCNC(=O)Cn1c(N2CCCN(Cc3ccc(OC)cc3)C(=O)C2)nnc1C(C)(C)C 1508098095 NURRSIKYRWBLBY-UHFFFAOYSA-N 454.575 2.125 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(N(CC)CC)nc2)C1 1508122138 CLZRDCLSHWNJKJ-UXHICEINSA-N 474.631 2.251 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cn2ccc3ccccc32)nnc1N1CCN(C(=O)OCC)CC1 1508144616 VRIAVWFSLZPGBA-UHFFFAOYSA-N 486.598 2.160 30 10 JEEE CCc1nnc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(Cc3ccc(C#N)cc3)CC2)s1 1513766766 ADYXNDLSQMAMBN-UHFFFAOYSA-N 479.614 2.072 30 10 JEEE CN(C)[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C(N)=O)C1)c1ccsc1 1516989071 BTGUXAOUGXLOQT-FXAWDEMLSA-N 465.583 2.405 30 10 JEEE C#CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1539089787 RGRXOMDSDYNGGS-HXUWFJFHSA-N 477.613 2.350 30 10 JEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C(=O)c2ccco2)CC1 1539101995 PGDGERUWVSBDDC-UHFFFAOYSA-N 496.593 2.164 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CCCC(C)C)[C@@H]1CCS(=O)(=O)C1 1539207051 YYQROJCSPNTHKB-KNQAVFIVSA-N 452.621 2.382 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1CCC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1539211717 KJOPUQCXTBRAAX-INIZCTEOSA-N 481.981 2.279 30 10 JEEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1C[C@@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1539230460 MSBBNGUWYCSNQZ-UXHICEINSA-N 459.616 2.051 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1Cc1ccc(C(N)=O)nc1 1539290340 FKNOYFOCKNMJNB-UHFFFAOYSA-N 455.522 2.152 30 10 JEEE C#CCSCCn1c(Cn2ccc3ccccc32)nnc1N1CCN(C(=O)NCC)CC1 1539527030 ZLPPTUKQZUSVEL-UHFFFAOYSA-N 451.600 2.499 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1539615352 HQYZVSUZPSWWQI-XFKSJGNHSA-N 456.547 2.147 30 10 JEEE C=C(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1539698008 CSFKNVFMEUHDJS-UHFFFAOYSA-N 495.675 2.065 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCN2C(=O)CC[C@@H]2C1)C(C)C 1540148303 UXEBMWAHZXUGQZ-NHCUHLMSSA-N 469.634 2.024 30 10 JEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CCN2CCCC[C@@H]2C)CC1 1540858187 LNUJTUDGUKBEOK-FPOVZHCZSA-N 480.679 2.278 30 10 JEEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](OCCOC)C1 1540858359 SZWNFUNWHOIQJK-ZWKOTPCHSA-N 451.568 2.404 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCN([C@H](C)c2nc(CC)no2)CC1 1540868263 YIDHEIFHSDUVPG-GOSISDBHSA-N 464.574 2.384 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N(C)Cc1nccs1 1540869097 BKYYDCIIHFGINS-UHFFFAOYSA-N 478.582 2.460 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1540900540 ZEQCIBRBJMDFNW-QRTHJKPMSA-N 476.599 2.160 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCC(S(=O)(=O)CC)CC1 1540904541 NQRJLFJIDOZVAK-UHFFFAOYSA-N 484.619 2.012 30 10 JEEE C=CCS(=O)(=O)CCn1c(CSc2ccc(Cl)cc2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1540908651 KUDYZJBBDLQXCF-CALCHBBNSA-N 471.004 2.386 30 10 JEEE Cc1cc(C)cc(OCc2nnc(N(CCC#N)CC3CC3)n2CC(=O)N2CCOCC2)c1 1542162030 AXXLBCOJJYNIKU-UHFFFAOYSA-N 452.559 2.463 30 10 JEEE CS[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1555832956 HKXSDFAGWAAKSG-XLIONFOSSA-N 490.655 2.199 30 10 JEEE Cn1cc(NS(=O)(=O)c2ccsc2C(=O)N2CCC(C#N)(c3ccccn3)CC2)cn1 1556363154 GJJJPMOBMCPMLH-UHFFFAOYSA-N 456.553 2.375 30 10 JEEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 1587697323 NTHOFRQORZYMTL-FCHUYYIVSA-N 483.661 2.135 30 10 JEEE C#CCN(c1nnc(-c2ccc(Br)cc2)n1C[C@H](F)COC)[C@H]1CCS(=O)(=O)C1 1588040585 OSTVXXDYXDSLOO-IRXDYDNUSA-N 485.379 2.319 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCCOc1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 1588049533 IAQCYFBMHASGCL-SFHVURJKSA-N 469.567 2.378 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1CCCN(C)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1588064274 FIUCXYQEHPSUSF-SFHVURJKSA-N 465.620 2.114 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCCCN1CCOCC1 1588124802 ROQVCFUZLMQUFL-UHFFFAOYSA-N 487.608 2.421 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C 1588229090 QYCFTBVSSWPQOV-RBUKOAKNSA-N 477.631 2.146 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCc2cccc(C(=O)NC)c2)CC1 1588762394 HRRNPUSYGWTACL-UHFFFAOYSA-N 496.413 2.393 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccnc3)n2Cc2ccc(OCC(F)(F)F)nc2)CC1 1588800527 JLWLOFPBGCIQGQ-UHFFFAOYSA-N 457.460 2.480 30 10 JEEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC(CCCN2CCOCC2)CC1 1589047568 AZRJSBZLKCFXIL-UHFFFAOYSA-N 457.648 2.374 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 1589484632 USUZTMDHSZUDDJ-NFBKMPQASA-N 495.628 2.158 30 10 JEEE C=CCOc1ccccc1Cn1c(-c2cnccn2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1595648518 DXCQBTXGCRFWJX-LJQANCHMSA-N 497.625 2.456 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCN(c2ccc(F)cc2)CC1 1595812029 LDCSGTLEVAYBNU-UHFFFAOYSA-N 470.574 2.330 30 10 JEEE CC(=O)N1CCN([C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCN(C)C(C)C)C[C@@H]2C)CC1 1596267805 MSCCXASFOZFOEN-GBXCKJPGSA-N 478.645 2.146 30 10 JEEE Cc1ccc(S(=O)(=O)NCCn2c([C@H]3CCOC3)nnc2N2CCC[C@](C)(C#N)C2)s1 1612156332 GBKRQQKDKUUBNG-OXJNMPFZSA-N 464.617 2.261 30 10 JEEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCN(C)Cc1ccc(F)cc1 1616922468 AKQFBRSOPBSTGI-LJQANCHMSA-N 493.591 2.462 30 10 JEEE N#C[C@]1(F)CCN(c2nnc(-c3cccc(Cl)c3)n2CCNS(=O)(=O)Cc2ccon2)C1 1620345467 BPMAQKRBEHQDKU-LJQANCHMSA-N 479.925 2.148 30 10 JEEE COCCN(CCC#N)S(=O)(=O)N(C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 1621629633 BKFJPDWLEBVALF-UHFFFAOYSA-N 456.874 2.336 30 10 JEEE C=C(C)Cn1c(SCC(=O)N2CCC[C@@H]2C[C@@]2(C)NC(=O)NC2=O)nnc1-c1ccco1 1623848834 WIGVPFKUFVGGSW-SPLOXXLWSA-N 458.544 2.186 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(C(=O)N3CCC[C@H](C)C3)CC2)s1 1624459683 QXCZPCCVEITLFI-INIZCTEOSA-N 453.630 2.252 30 10 JEEE C=CCn1c(S)nc2cc(C(=O)NCc3cccc(OCC(=O)NCC)c3)ccc2c1=O 1630611814 DNWHLGUILQPWCZ-UHFFFAOYSA-N 452.536 2.316 30 10 JEEE C=CC[C@@H]1CCCN(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1 1641030153 RZULKYAROIGSMC-GOSISDBHSA-N 451.564 2.254 30 10 JEEE CC(=O)N1CCc2ccc(S(=O)(=O)N3CCC[C@H](Nc4ccc(C#N)cn4)C3)cc2CC1 1664357983 ZAIKHAOHJXKADZ-NRFANRHFSA-N 453.568 2.166 30 10 JEEE C#C[C@@H](NC(=O)NC1CCN(C(=O)CCCN(C)C(=O)OC(C)(C)C)CC1)[C@H]1CCCO1 1681816714 XQZXSJRLMRXULM-RTBURBONSA-N 450.580 2.105 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Cl)n1Cc1cccn(CC)c1=O)[C@@H]1CCS(=O)(=O)C1 1689986328 NIAPPGGNBLMAEI-GOSISDBHSA-N 485.997 2.455 30 10 JEEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(C)CN(C2CC2)C1=O 1690077459 PBRGKYLRYNMSIR-KOSHJBKYSA-N 472.590 2.057 30 10 JEEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2CC2(S(C)(=O)=O)CCCC2)CC1 1690132105 HOSJTOAWXKNIIC-UHFFFAOYSA-N 471.627 2.278 30 10 JEEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ncccc2C#N)CC1 1690464407 APRWKJIYDGFZOP-LJQANCHMSA-N 455.588 2.130 30 10 JEEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN([C@@H](C)c2nccs2)CC1 1690497042 GAZQXCKBEBNMNR-SFHVURJKSA-N 459.620 2.447 30 10 JEEE C=CCn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1690629727 CHNBMXMQSNZXNN-BEFAXECRSA-N 476.423 2.221 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2Cc2ccc(C#N)o2)C1 1690687747 IKZRKFMVVVCLBP-IBGZPJMESA-N 482.566 2.490 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(C)n3)n2CCCN2CCC[C@H]2C(=O)N(C)C)C1 1690696438 BYPFBMGYXADJKA-IRLDBZIGSA-N 467.618 2.373 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H]1c1ccc(COC)o1 1690722844 XNBZNSDWECUFGC-GOSISDBHSA-N 460.560 2.360 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@]1(N(C)C)CCSC1 1692538117 GFEHMXUJZFKFSN-RUZDIDTESA-N 496.685 2.047 30 10 JEEE C[C@H]1CCCN(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2cccc(C#N)c2)C1 1693682218 FQNMFCDAUGXOJJ-RXVVDRJESA-N 456.616 2.420 30 10 JEEE CCN(CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1)CCC(F)(F)F 1695747987 DXTBNUFHYYZGRP-FQEVSTJZSA-N 493.534 2.432 30 10 JEEE CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 1697000654 HEFXDVSMPTZOTN-NZQKXSOJSA-N 475.601 2.206 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H]1CCC=CO1)[C@@H]1CCS(=O)(=O)C1 1705560764 NFMWAHKAIQLXTG-RTWAWAEBSA-N 483.594 2.467 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1Cc1cccc(C(=O)NCCC)c1)[C@H]1CCS(=O)(=O)C1 1705563843 GSUHNIFYPPDSGF-NRFANRHFSA-N 494.621 2.098 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@]1(O)CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1705569647 FLYJKBFEQRRKQW-HFJQGTKSSA-N 460.575 2.186 30 10 JEEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CC(C)(C)c2cccc(OC)c2)CC1 1705641769 STSLKRUVMLINPW-UHFFFAOYSA-N 450.587 2.142 30 10 JEEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)C[C@H]1CCCOC1 1705658964 GZEUZAUEGYAHML-QGZVFWFLSA-N 452.584 2.421 30 10 JEEE C#CCSCCn1c(CC2CC2)nnc1N1CCN(C(=O)COc2ccc(F)cc2)CC1 1705663421 GYTKAGFRIFKORW-UHFFFAOYSA-N 457.575 2.464 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(Cn2cccn2)cc1 1705716174 BLIMXZCMGJDXFM-QFIPXVFZSA-N 499.641 2.307 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC(CCCO)CC1 1705895222 YKNUMPPSAYOFEH-UHFFFAOYSA-N 454.575 2.438 30 10 JEEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)Cc1ccc(C)o1 1705901065 ZICDHEBTNSWALS-UHFFFAOYSA-N 457.560 2.078 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CCN2[C@H](C)CC[C@H]2C)CC1 1705903838 WELQIZHMSIDTIE-NHCUHLMSSA-N 476.629 2.114 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(OC)nc2OC)C1 1705929307 NXGQWBBJPNMCNA-IBGZPJMESA-N 453.547 2.382 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CCN2CCN(C)C(C)(C)C2)C1 1705929792 XYMXYPWKUAWOEF-LJQANCHMSA-N 487.674 2.077 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1705933366 DVAPEHIGWGHCCC-GOSISDBHSA-N 491.017 2.384 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1705938248 SAYZOBRNKWRIJK-LJQANCHMSA-N 470.599 2.494 30 10 JEEE CC[C@H](C)NC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCCO2)CC1 1708635956 AKIGMGWCONQWSB-NZQKXSOJSA-N 495.628 2.335 30 10 JEEE COc1ccc(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CC[C@](F)(C#N)C2)c(OC)n1 1711837834 FRWVUBCLHBHNLM-QFIPXVFZSA-N 486.529 2.251 30 10 JEEE N#CC1CCN(c2nnc(CNC(=O)c3cccs3)n2CC(=O)NCCc2ccccc2)CC1 1712882355 BAAWJQIOGFOEPU-UHFFFAOYSA-N 477.594 2.368 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2Cc2c(C)nn(C)c2C)CC1 1722448399 BFWBRXJRVVZXLG-UHFFFAOYSA-N 463.561 2.372 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(OC)c(OC)c1 1722554412 FDPAYROPADZBMO-SFHVURJKSA-N 485.994 2.017 30 10 JEEE C=CCCCn1c(N2CCN([C@@H](C)C(=O)N3CCCC3)CC2)nnc1[C@@]1(OCC)CCOC1 1722623625 WNHYGUVIPAYAMX-GBXCKJPGSA-N 460.623 2.029 30 10 JEEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC1Cc2ccccc2C1 1723778165 DTZZQCGKUQGSJZ-UTKZUKDTSA-N 472.615 2.154 30 10 JEEE C#CCCCn1c(COc2cc(C)ccc2C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1740595049 KOTCFWYDUILPMW-LJQANCHMSA-N 450.543 2.360 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@H](C)COC)[C@H]1CCS(=O)(=O)C1 1740617233 ODWSQWGGGWBKDR-SQNIBIBYSA-N 464.563 2.466 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1CCC(=O)NCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1740617799 XOUHESFDOHYSJS-UYAOXDASSA-N 457.600 2.125 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1csc([C@H](C)OC)n1)[C@@H]1CCS(=O)(=O)C1 1740623304 REFPBCBGGTUPJJ-FUHWJXTLSA-N 486.623 2.487 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H](c1ccccc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1740628905 WEZVJSAYEJJAKM-NJDAHSKKSA-N 457.600 2.059 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(CC)CC)n1C[C@H]1CCS(=O)(=O)C1 1740676279 YBRFTSSEKVRKRD-GOSISDBHSA-N 475.590 2.410 30 10 JEEE C#CCN(CCOC)c1nnc(Cc2ccccc2C)n1C[C@]1(N2CCOCC2)CCSC1 1740685859 ADDSXQXJTVBKSQ-RUZDIDTESA-N 469.655 2.471 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(=O)COC)CC1 1740756172 ODGVUWPZRRGBRR-FDDCHVKYSA-N 485.585 2.239 30 10 JEEE C=C(Cl)Cn1c(N2CC[C@H](N3CCN(CC)CC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1740817207 WUQRSDGZISGPDY-UGKGYDQZSA-N 453.031 2.287 30 10 JEEE C=CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1740875044 PMXNANIVBBRSJO-MRXNPFEDSA-N 471.587 2.326 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1740956919 VLYUTGTVTSAXRH-FXAWDEMLSA-N 489.020 2.456 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCC[C@@H](Oc2ncccc2F)C1 1740993348 YHAFLLJRXPZBCY-LJQANCHMSA-N 486.573 2.447 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC2(CC1)CNC(=O)C2 1740995080 YZFRDSXXCQDLJM-UHFFFAOYSA-N 487.626 2.181 30 10 JEEE CC(C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(N2CCCCC2=O)CC1 1741257319 GFUTYEUCTFJHHS-UHFFFAOYSA-N 452.559 2.481 30 10 JEEE Cc1nccnc1CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(C)C)C(=O)C1 1742646565 CJTLOPCZTNMZLU-UHFFFAOYSA-N 474.569 2.375 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(CC)(CC)NC(=O)OC(C)(C)C 1748639435 HAMNPIQKYPRBIV-JKSUJKDBSA-N 470.640 2.430 30 10 JEEE C#CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1748747267 FNKMDPGDIATJBX-UHFFFAOYSA-N 483.598 2.258 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CC2([S@@](C)=O)CC2)CC1 1748984778 QURYTWLRRRDSCM-MGBGTMOVSA-N 471.627 2.407 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC2(CCOC)CC2)CC1 1748988805 BRLRRUPZCNWASM-FQEVSTJZSA-N 488.633 2.158 30 10 JEEE C=C(Br)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H](C)CC(N)=O 1749104046 KOOOHWYYKICMPM-KBPBESRZSA-N 487.399 2.195 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1COc2ccccc21 1749159847 ZZERCPGGEIKJJD-XLIONFOSSA-N 461.588 2.190 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@]1(O)CCS(=O)(=O)C1 1749170848 LGOGCLJRBQEYHD-JKSBSHDWSA-N 483.635 2.001 30 10 JEEE C=CCCOCCn1c(N2CCN(C)C(=O)[C@H]2C)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1749461850 XWLRRJMVEIKCSC-KURKYZTESA-N 462.595 2.308 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2CC[C@@H](N2CCOCC2)C(F)(F)F)C1 1749707113 USFVMPBWIUQIKW-QZTJIDSGSA-N 469.512 2.113 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(=O)NCC)CC1 1749724609 KONPVTYKEHQUSK-QGZVFWFLSA-N 494.593 2.010 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1749730700 NJULBJQYHLZBBT-UHFFFAOYSA-N 467.477 2.246 30 10 JEEE C[C@]1(C#N)CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CC2)C1 1751276451 IAXOPNDOGSSVSR-OAQYLSRUSA-N 454.556 2.436 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CNC(=O)c3cccs3)n2Cc2cnn(C)c2)c1 1760127848 OCSSRMRIQVKFFY-UHFFFAOYSA-N 488.577 2.108 30 10 JEEE C#CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1760152524 OXDKSCWDDKHOSC-SFHVURJKSA-N 497.625 2.119 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1Cc1cc(C)no1)[C@H]1CCS(=O)(=O)C1 1760181528 WZENBGQFARPMFI-AWEZNQCLSA-N 479.360 2.007 30 10 JEEE C#CCN(c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCC)[C@H]1CCS(=O)(=O)C1 1760186739 ACXINGUMHFNAPN-KRWDZBQOSA-N 468.583 2.102 30 10 JEEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(S(=O)(=O)c2ccccc2)CC1 1760346431 ZEQNLPZNWOWJKB-QGZVFWFLSA-N 464.613 2.199 30 10 JEEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 1760351065 BBUFIVIDXUNULP-UHFFFAOYSA-N 460.604 2.341 30 10 JEEE C=C(C)COCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1760358544 WHZPFPOWGCLKIW-IBGZPJMESA-N 484.605 2.322 30 10 JEEE C=CCCCn1c(CC2CC2)nnc1N1C[C@@H]2[C@@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1760443380 SQCSMHWNDIJIPL-SQNIBIBYSA-N 465.620 2.323 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(COc3ccccc3F)n2Cc2ccc(C(N)=O)nc2)C1 1760547572 NJNLBXSMRYENCR-KRWDZBQOSA-N 452.490 2.320 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc3ccccc3o2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1760551403 DNKAKLOOONAUTC-INIZCTEOSA-N 457.556 2.349 30 10 JEEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN([C@@H]2C[C@H]3CC[C@H]2C3)CC1 1760559786 KTPDSSBYNCZWBO-CADBVGFASA-N 468.693 2.118 30 10 JEEE CC(C)(C)C(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)CC2CC2)CC1 1760707867 GITYMUBUWXGOMI-UHFFFAOYSA-N 484.626 2.336 30 10 JEEE CC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cnn(CCOC)c2)CCO1 1763580021 ANCURHHDXYYYAH-HXUWFJFHSA-N 451.531 2.235 30 10 JEEE CN(C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2ccccn2)CC1)S(C)(=O)=O 1767000859 FUUBZCZVHRAZPW-UHFFFAOYSA-N 465.583 2.315 30 10 JEEE COc1ccc(C(C)(C)Cn2c(-c3cnn(C)c3)nnc2N2CCO[C@H](C#N)C2)cc1OC 1768421896 CGBVKLGESLAOCP-GOSISDBHSA-N 451.531 2.402 30 10 JEEE N#CCC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCn2cc(Br)cn2)CC1 1771539506 ACBCXULEKAOETM-MRXNPFEDSA-N 461.368 2.409 30 10 JEEE C=CCC1(O)CCN(C(=O)NC[C@@H]2CC3(CCN(C(=O)OC(C)(C)C)CC3)C(=O)O2)CC1 1772557298 ILNLXTAKSQUNJM-KRWDZBQOSA-N 451.564 2.432 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)[C@H](C)Oc3cccnc3NC(=O)NC[C@H](C)NC(C)=O)cc21 1858806807 GCHKUMSVMPYAJN-HOTGVXAUSA-N 495.536 2.289 30 10 JEEE C=CCNC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)[C@H]1CC(=O)N(c2ccc(C(=O)OCC)cc2)C1 1861612062 ZYGCLWLWIRWGMT-UGKGYDQZSA-N 481.524 2.385 30 10 JEEE CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1862635992 WNNQEEOGZWSICN-NRFANRHFSA-N 497.460 2.235 30 10 JEEE COc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(CCCN3CCOCC3)C2=O)c(OC)c1 1863417586 LOYYLSRCSLQTEP-UHFFFAOYSA-N 476.533 2.490 30 10 JEEE Cc1ccc(-n2nnc(C#N)c2NC(=O)CCCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 1870155579 URHMHRFNFMJRNB-UHFFFAOYSA-N 459.422 2.371 30 10 JEEE Cn1nnnc1SCc1cc(=O)c(OCc2ccc(C#N)cc2)cn1CCCn1ccnc1 1870233065 VPACYLOQRVNZJQ-UHFFFAOYSA-N 462.539 2.402 30 10 JEEE C#CCOc1cn(CCc2ccc(OC)c(OC)c2)c(CN2CCN(C(=O)OCC)CC2)cc1=O 1870559748 PQVLUZZZWDZIIU-UHFFFAOYSA-N 483.565 2.394 30 10 JEEE C=CCn1c(C(=O)N2CCOCC2)cc2c(N3CCN(c4ccccc4OC)CC3)ncnc21 1873562522 HSGDHLWXWVNMNY-UHFFFAOYSA-N 462.554 2.425 30 10 JEEE CC(C)N1C(=O)CS[C@@H](C(=O)N2CCN(c3ccncn3)CC2)[C@@H]1c1ccc(C#N)cc1 1889496362 FGNXQWJMXKTYQO-FCHUYYIVSA-N 450.568 2.091 30 10 JEEE C#CCN(CC(=O)N[C@]1(C(=O)O)CC[C@H](CNC(=O)OC(C)(C)C)C1)C(=O)OC(C)(C)C 2059565600 BWPFSASXFGZSPP-OYHNWAKOSA-N 453.536 2.121 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C(=O)O)N(C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C1 2188802614 UPCBIGLJBSLBLM-HSALFYBXSA-N 471.558 2.259 30 10 JEEE N#C[C@@H]1CN(S(=O)(=O)c2ccc(NN)cc2Br)CCN1Cc1ccccc1 2240935411 VIDZXTPMNQMOAU-MRXNPFEDSA-N 450.362 2.133 30 10 JEEE C[C@H](CNC(=O)OC(C)(C)C)NS(=O)(=O)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2255803166 KHPBWZXFYVRMQW-OAHLLOKOSA-N 454.398 2.318 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2255833567 FIKKJSHSXLPIFZ-HUUCEWRRSA-N 452.382 2.147 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2Cl)C1 2267007964 BBHCBMGRNUQRII-HZPDHXFCSA-N 466.771 2.349 30 10 JEEE COC[C@]1(NC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)CCN(C(=O)OC(C)(C)C)C1 2267172271 ABKFCRIXDONXCV-NRFANRHFSA-N 467.397 2.198 30 10 JEEE CC(C)(C)OC(=O)NC1CC(NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2267359357 LVAKGFBTQWMSHD-UHFFFAOYSA-N 470.372 2.459 30 10 JEEE CCN(C(=O)OC(C)(C)C)[C@H](C)CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nn(C)c1C 2267529531 MONYJYRIBPCDOV-CQSZACIVSA-N 450.389 2.403 30 10 JEEE CC(C)(C)OC(=O)N1CC(O)(C(F)(F)CNc2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2272844872 DQFCRYVFZVRCOJ-UHFFFAOYSA-N 455.311 2.410 30 10 JEEE Cc1cc(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)CCN2C)oc1B1OC(C)(C)C(C)(C)O1 2281962441 ZDJPRNBKAVIXHS-MRXNPFEDSA-N 463.384 2.168 30 10 JEEE CC(C)(C)OC(=O)N[C@]12CCC[C@@]1(F)CN(C(=O)c1cc(B3OC(C)(C)C(C)(C)O3)n[nH]1)C2 2281989162 WHRDOXKLQIAQPE-YADHBBJMSA-N 464.347 2.320 30 10 JEEE Cc1c(C(=O)N[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281989798 DZZUKHDTRLOHKZ-GJZGRUSLSA-N 462.400 2.449 30 10 JEEE CN(CCOCCNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1F)C(=O)OC(C)(C)C 2282047888 DYPRUCLYIZDAHC-UHFFFAOYSA-N 467.347 2.133 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1 2282051965 KRVWUWWTGAFHQL-HZPDHXFCSA-N 460.384 2.109 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N(CCO)CCCNC(=O)OC(C)(C)C 2282120475 HPLYACXRBWAFDZ-UHFFFAOYSA-N 465.400 2.157 30 10 JEEE CN(CCCCCNS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)Cc1ccccc1 2282493254 VNLCLITXWLHFEL-UHFFFAOYSA-N 476.452 2.300 30 10 JEEE Cc1nc(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)s1 2282524126 ANJKHYKLQLPKDO-ILXRZTDVSA-N 479.408 2.115 30 10 JEEE Cn1ncc(C(=O)N2C[C@H](CNC(=O)OC(C)(C)C)CC2(C)C)c1B1OC(C)(C)C(C)(C)O1 2282562865 WYIDNVGCCWRODD-HNNXBMFYSA-N 462.400 2.485 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC1(C)CC(NC(=O)OC(C)(C)C)C1 2282581831 NKYGOXBNPMLHMA-UHFFFAOYSA-N 462.400 2.451 30 10 JEEE CC(C)(C)OC(=O)N[C@@]12CC[C@@](CNC(=O)c3csnc3B3OC(C)(C)C(C)(C)O3)(C1)OC2 2282621756 WRCJXUURULTBOG-VXKWHMMOSA-N 479.408 2.389 30 10 JEEE CC1(C)OB(c2ccc(C(=O)NC[C@H]3CCCCN3C(=O)C(F)(F)F)c(O)c2)OC1(C)C 2282811117 URMNFYGVNVWPHQ-CQSZACIVSA-N 456.270 2.365 30 10 JEEE Cc1nc(NC(=O)[C@H]2[C@H](C)OCCN2C(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2283931012 VRSXGJVEMDHPET-GOEBONIOSA-N 462.356 2.047 30 10 JEEE CC(C)(C)OC(=O)N1CC(=O)NC[C@@H]1C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccc1Cl 2283955665 GIMHFMXTBKMTHW-MRXNPFEDSA-N 479.770 2.313 30 10 JEEE COc1ccc(F)cc1C(O)=C1C(=O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1ccccn1 2296623814 UFZMIUQOUSPVDK-OAQYLSRUSA-N 455.486 2.373 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2CCC[C@H](C1)N2C(=O)OC(C)(C)C 2362350867 XOGLVDXUBXOBFO-IYBDPMFKSA-N 460.384 2.333 30 10 JEEE COc1nc(N2CCO[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)ccc1B1OC(C)(C)C(C)(C)O1 2365343958 HRHRSPCIMHRISZ-SJORKVTESA-N 461.368 2.214 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(C)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2F)n1 2369670639 URIQHNNPWKZJFK-HZPDHXFCSA-N 466.363 2.232 30 10 JEEE C=CCN1C(=O)[C@H](C)Oc2cc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)ccc21 12234050 AYRUNPWANUZTJU-INIZCTEOSA-N 471.535 2.260 30 10 JEEE C=CCN1C(=O)N[C@@H](c2ccsc2)C(C(=O)OCC)=C1CN1CCN(C(=O)NCC)CC1 36016889 MGQZBTDNYXBGSC-IBGZPJMESA-N 461.588 2.165 30 10 JEEE CC(=O)Nc1cccc(OCC#CCNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c1 90732078 YZDWLGBREHYZNC-UHFFFAOYSA-N 455.536 2.242 30 10 JEEE CC(C)Cn1c(=C(C#N)C(=O)c2ccc3c(c2)OCO3)sc(=Cc2cnn3ccccc23)c1=O 729672085 WGCXVCVWECKCQO-UHFFFAOYSA-N 472.526 2.328 30 10 JEEE CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)/C(=C(/C)NCCc3nnc4ccccn34)C(=O)[C@]12C 1075952322 FNBPAVUHYVBXMK-UHYFKCDISA-N 488.500 2.444 30 10 JEEE COc1ccc(C=NNc2nnc(SCC(=O)N[C@@H](C)c3ccccc3)n2N)cc1OC 1084232429 UWKGTTLAJUPNIQ-AWEZNQCLSA-N 455.544 2.425 30 10 JEEE CN(c1ccc(CNC(=O)COc2cccc(Br)c2C#N)cc1)S(C)(=O)=O 1125864675 CCYCWNAXLSGKPX-UHFFFAOYSA-N 452.330 2.412 30 10 JEEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCN(c3ccccc3)CC2)cc1C(F)(F)F 1208757209 DYXYZFXWMMIHRO-UHFFFAOYSA-N 452.458 2.204 30 10 JEEE C#CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@@H](NC(C)=O)C1 1286320519 CTCVSDFGVOBIHQ-GOSISDBHSA-N 457.604 2.147 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Br)n1C[C@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1286386641 FDLJWKKAXKJBBZ-MGPUTAFESA-N 481.416 2.495 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1ccc(OCC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1286387692 UEOQURBCPQGUHG-IBGZPJMESA-N 481.578 2.422 30 10 JEEE C#CCN(c1nnc(COc2ccccc2OC)n1Cc1occc1C)[C@H]1CCS(=O)(=O)C1 1286392741 BWJVTRDXCNOXHP-SFHVURJKSA-N 470.551 2.442 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC1(CC)CCOCC1)[C@H]1CCS(=O)(=O)C1 1286394253 OIAVUAMSIBIDTB-OALUTQOASA-N 450.605 2.353 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)c1ccc(F)cc1 1286431751 RDNYKIWLZDAAOA-NQIIRXRSSA-N 473.574 2.017 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@]2(N(C)C)CCC[C@@H](C)C2)CC1 1286485720 VRMVNUKFGDGIOW-KXEAFHOWSA-N 458.651 2.268 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2CCc2noc(CC)n2)CC1 1286489227 KGOKLUPPZHYQHN-UHFFFAOYSA-N 463.542 2.108 30 10 JEEE C=C(C)COCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)CC(=O)NC(C)(C)C 1286612129 SVWDOZDPSQMKSZ-UHFFFAOYSA-N 470.622 2.396 30 10 JEEE C=CCCCCn1c([C@H]2CCCOC2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1286687022 LVSIDYGTLYREMU-SFHVURJKSA-N 464.592 2.168 30 10 JEEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCCN(c2nc(CC)ns2)CC1 1286823404 MYDGYPPDIHZIHD-UHFFFAOYSA-N 464.665 2.466 30 10 JEEE C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(F)(F)F)CC1)N1CCOCC1 1288606235 BDWGNXADIKHFSA-QGZVFWFLSA-N 463.508 2.222 30 10 JEEE CC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C[C@@H]2CCCO2)CC1)OC 1292250439 BIMIONUOJKLKCA-UNMCSNQZSA-N 454.575 2.455 30 10 JEEE CCN(CC)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2ccccn2)CC1 1295335762 GQSCCWDIWVPAPV-UHFFFAOYSA-N 472.597 2.445 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2C[C@H]3CC[C@H]2C3)c1 1300330754 DAGYDPGBAILCJO-BTHPGYMESA-N 484.626 2.381 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCc1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 1300478912 GLOWEHFIEHKVNI-FQEVSTJZSA-N 478.578 2.103 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1CCc1cnc2c(Cl)cnn2c1 1300595713 HOAJSVCMAVDTBD-ICSRJNTNSA-N 467.961 2.404 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@]2(N(C)C)CCSC2)CC1 1300722036 GNBXKYSMTOKHOU-XMMPIXPASA-N 467.643 2.052 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCOCC1 1301401810 HJJJELKNDIKRMG-JOCHJYFZSA-N 489.642 2.273 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCc2cc(OC)c(OC)cc2CC1 1301585718 DLHWFUGVBDSORI-UHFFFAOYSA-N 497.621 2.487 30 10 JEEE C=CCSCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCN(C)C(=O)C1 1301609217 FKVNBATYWQNBHI-UHFFFAOYSA-N 467.599 2.434 30 10 JEEE C=CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1301612854 QAQDFGHHJRQBFO-HXUWFJFHSA-N 462.664 2.226 30 10 JEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1301613015 STRTWJSYGQPIQI-CVEARBPZSA-N 471.649 2.203 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCN1CCSCC1 1358875255 LZUXSMXSUCWPKX-MRXNPFEDSA-N 461.661 2.053 30 10 JEEE C#CCN(c1nnc(-c2nnc(O)c3ccccc23)n1CCCCSC)[C@@H]1CCS(=O)(=O)C1 1358962941 ZIVNLGTZEJZLIZ-MRXNPFEDSA-N 486.623 2.364 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H]1CCCCS1(=O)=O 1359022800 NDZDJRNLUQDHHL-OAQYLSRUSA-N 468.583 2.184 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCOC2(CCCCCC2)C1 1359056647 IYPQKSXYYLYKGQ-GOSISDBHSA-N 452.646 2.476 30 10 JEEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CCN(c2nccc(OCC)n2)CC1 1359056870 MYGBBTMZLBSPAU-GOSISDBHSA-N 457.604 2.401 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCCCO2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1359083364 INBPKYXRWWIEAD-IPELMVKDSA-N 481.439 2.417 30 10 JEEE C=CCN(CC=C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccc(C(N)=O)nc1 1359267716 PORAQJZGARTXMD-UHFFFAOYSA-N 452.540 2.069 30 10 JEEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1359290555 GSEDIOBRWRDDHG-HNNXBMFYSA-N 459.551 2.057 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1 1359302697 QPNQPIXRSWSKIP-UHFFFAOYSA-N 469.590 2.450 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1359304158 OHZZXPYFAVDJOQ-PMACEKPBSA-N 452.559 2.024 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(c2cccc(C)c2)CC1 1359331763 HSBYYHCSVQXGAA-FQEVSTJZSA-N 459.616 2.408 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(OC)cc2)nnc1N1CCc2c(ccnc2O)C1 1359335647 QNGJYLQCZJLFLM-UHFFFAOYSA-N 485.566 2.130 30 10 JEEE C#CCNC(=O)CN1CCCN(C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])CC1 1464849306 PFICHKMQKUVVFB-UHFFFAOYSA-N 450.495 2.071 30 10 JEEE CCCn1nc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC[S@@](=O)C(C)(C)C)c2ccccc2c1=O 1501078394 BFDLGIJQOXMPON-YFMKOLDFSA-N 497.625 2.341 30 10 JEEE N#C[C@]1(F)CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCN2CCCCCC2=O)C1 1505311576 AWPPAYURJFZONC-JOCHJYFZSA-N 454.510 2.160 30 10 JEEE C#CCCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(C)C(=O)[C@@H]1C 1507555586 TXLGVZOYLZVEMN-KRWDZBQOSA-N 457.604 2.017 30 10 JEEE C#CCCCn1c(COc2ccccc2F)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1507595930 ZDWJFWXJBZEBBL-DENIHFKCSA-N 468.577 2.398 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CCOc1ccc(Cl)cn1)[C@H]1CCS(=O)(=O)C1 1507634959 OSVKCSPNJYTBLW-IBGZPJMESA-N 486.985 2.018 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1Cc1c(C)nn(C)c1C)[C@H]1CCS(=O)(=O)C1 1507638366 DWKAYJRRCLXAKL-NRFANRHFSA-N 496.637 2.499 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1CCN1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 1507640813 WNJSNOZWZJGAQI-JOCHJYFZSA-N 483.638 2.363 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCCn1cc(Br)cn1 1507690808 XHEYTJXMQXJXPL-OAHLLOKOSA-N 469.409 2.079 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@]2(O)CCC[C@H]2C)CC1 1507733881 CTYVWYMXXBMVMP-CJAUYULYSA-N 451.571 2.471 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC)n2Cc2ccc(C(=O)N3CCCCC3)cc2)CC1 1507742102 ASEZGJWFUXIDMJ-UHFFFAOYSA-N 462.598 2.481 30 10 JEEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)c1ccccc1 1507752009 TWCNDZDAHUMTLF-UYAOXDASSA-N 477.656 2.217 30 10 JEEE C=CCCCn1c(-c2cccnc2)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1507945085 AWFPQXDDRNRSNI-QRVBRYPASA-N 488.614 2.433 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@H](CC)C1 1508139837 KDUJUSJWWGPMDU-KRWDZBQOSA-N 470.599 2.419 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)C[C@@H](C)C#N)n1Cc1sccc1Br 1508410235 DQIBGPLUQHLIFZ-QWRGUYRKSA-N 461.411 2.356 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2CC(=O)NC2CCCCC2)c1 1539042542 HSYJMSSICICCRE-IBGZPJMESA-N 464.570 2.287 30 10 JEEE C#CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1539104702 OONAMSWJUTZTFZ-SFHVURJKSA-N 466.586 2.165 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2ccccc2F)n1CCc1cn[nH]c1)[C@H]1CCS(=O)(=O)C1 1539206369 OFUXZYXZAXFCJS-AEFFLSMTSA-N 472.546 2.150 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1cc(F)ccc1F)[C@@H]1CCS(=O)(=O)C1 1539230762 QFAQQDBWGPKBAQ-LJQANCHMSA-N 474.537 2.093 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)CCC2CCCC2)CC1 1539518427 ZOWFHQVJAQDBRH-HXUWFJFHSA-N 493.699 2.166 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCOc2ccc(OC)cc2)CC1 1539849050 UGECXHCSXADLGB-NRFANRHFSA-N 491.614 2.245 30 10 JEEE C=CCn1c(-c2ccccc2)nnc1N1C[C@@H]2[C@H](C1)[C@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1540856261 GBORATIMNKHQGC-KZNAEPCWSA-N 459.572 2.258 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(C(=O)c2c(F)cccc2Cl)CC1 1540868896 VTILJQXPVYYHPA-UHFFFAOYSA-N 483.935 2.397 30 10 JEEE Cc1ccc(SCCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@@H](C)C#N)cc1 1542515809 HHNDNNKOTBPVIS-PKOBYXMFSA-N 478.644 2.308 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccc(OC)c(F)c2)CC1 1588884956 PNDCUBOKHNCNMW-UHFFFAOYSA-N 484.576 2.358 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC2CC2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1589559243 OXXVSODHYTZVLX-WIYYLYMNSA-N 451.637 2.462 30 10 JEEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](CNC(=O)c2ccccc2)C1 1589708616 QSWVCPGTVANPBC-MSOLQXFVSA-N 460.604 2.111 30 10 JEEE C=CCCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1594608145 GQVPRCPICIQPPI-INIZCTEOSA-N 471.587 2.420 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1595507208 ZRZTVMZQOKZRDR-UHFFFAOYSA-N 457.966 2.277 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cc(Cl)c3c(c2)OCCO3)C1 1595672417 AROPUKFXEYGHIW-HOCLYGCPSA-N 498.005 2.143 30 10 JEEE C[C@@H](CNC(=O)OC(C)(C)C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1 1611627310 GWABZGPSMDWTPS-RDJZCZTQSA-N 466.608 2.081 30 10 JEEE C=C(C)C[C@@H](NS(=O)(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C)C(=O)OCC 1663904934 GGJAQBANJYTQOG-GOSISDBHSA-N 458.602 2.346 30 10 JEEE C[C@@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)Cc1ccc(F)cc1Br 1668035845 ICRWSKVTVRLCLL-GFCCVEGCSA-N 454.325 2.290 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1cccn(CC)c1=O 1689848516 WQUGRJOXUITKLX-KRWDZBQOSA-N 457.538 2.363 30 10 JEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1689875120 KNERMEOOKQCUHP-DLBZAZTESA-N 468.624 2.137 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@H](C)N(C)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1689992229 INNZIPXFUPGRSQ-XUZZJYLKSA-N 492.649 2.411 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1CCN1CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1689997268 ZAFZGTKUPNYGDE-UXHICEINSA-N 489.617 2.355 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@]2(C)CCCS2)CC1 1690137863 KRDCJVKHAVFCRE-DHIUTWEWSA-N 461.632 2.182 30 10 JEEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1690182707 DWFSXLBBLSOWAV-DENIHFKCSA-N 466.611 2.252 30 10 JEEE C=CC[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NS(=O)(=O)CC)CC1)c1ccccc1 1690444788 MBRUFYXRMVSSNE-CTNGQTDRSA-N 486.642 2.497 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CN2CCCC2=O)n1C[C@@]1(C)COCCO1 1690561122 DSOPEPMNCNFDNY-DEOSSOPVSA-N 450.543 2.270 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(CCN2[C@@H](C)CC[C@H]2C)CC1 1690724115 IJQXTVJYCSVLOP-BDTNDASRSA-N 494.706 2.115 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCN(Cc2cscn2)CC1 1690726771 LAHQVJYBAUNNKK-UHFFFAOYSA-N 478.669 2.310 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(-c2ccccc2)no1 1692661433 DMRPCHHEGKETKY-JXFKEZNVSA-N 485.570 2.053 30 10 JEEE CCOC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2([S@](C)=O)CC2)C1 1695976987 DDBYHMGTNIDLMC-CVCYQNGTSA-N 456.572 2.443 30 10 JEEE COCCN1C[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(NC(C)C)CC2)CC1=O 1698075975 HMXGLPUUDJNQIT-FQEVSTJZSA-N 465.602 2.278 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCC[C@H]2OC)c1 1705504114 NBWSBSOMMLDEBB-TZIWHRDSSA-N 464.570 2.385 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1Cc1ccco1)[C@H]1CCS(=O)(=O)C1 1705563025 PDVGAOTUGWNZQF-INIZCTEOSA-N 456.524 2.230 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccc(C)cc1SC)[C@@H]1CCS(=O)(=O)C1 1705565767 JZVFKLHRTZNVQD-RBUKOAKNSA-N 460.625 2.487 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCN(CC)CCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1705566764 PZOXJJHEJNNFFO-QZTJIDSGSA-N 491.580 2.073 30 10 JEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1Cc1ccc(OC)nc1)[C@H]1CCS(=O)(=O)C1 1705570090 MNCOLKYWGMUHBY-NRFANRHFSA-N 495.605 2.151 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@@H]1CCCN(C(C)=O)C1)[C@H]1CCS(=O)(=O)C1 1705571238 XDBDLESAHQZACP-GGAORHGYSA-N 483.638 2.063 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1705571728 GSNBXDMTXCABNK-FCGDIQPGSA-N 450.605 2.002 30 10 JEEE C#CCN(CC#C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCN1CCN(C(C)=O)CC1 1705573556 JJQCKHLDCLRSQL-QFIPXVFZSA-N 462.598 2.272 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccnc2)n1C[C@@H]1C[C@@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1705579881 XHNBLUCFUQAXNC-HKBOAZHASA-N 462.554 2.437 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(N2CCOCC2)CC1 1705581861 MQJCFPGLBSIKPO-NRFANRHFSA-N 482.629 2.330 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1705633376 PTRYVLXUZVSRGZ-DZFGPLHGSA-N 459.978 2.367 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(OC)cc2)n1CC1(C(N)=O)CCOCC1 1705678156 PZNQHAQUSIUJSG-HSZRJFAPSA-N 453.543 2.140 30 10 JEEE C=C(C)COCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1705730508 KOAFOENOQUZNGH-HSZRJFAPSA-N 474.993 2.417 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(CC2CCOCC2)CC1 1705905278 PPYBVIZFTIWOHV-UHFFFAOYSA-N 473.021 2.373 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(COc3ccccc3F)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1705928053 AHTWGIIRENPHMG-ROUUACIJSA-N 479.578 2.059 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1705936015 HUUZDDSIOMLGDU-MRXNPFEDSA-N 493.552 2.015 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](N2CCCC2)C1 1705937791 FFKNXYFWZPHZKR-OAQYLSRUSA-N 484.626 2.394 30 10 JEEE CCNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1710308410 DYFRAKUWUZIUOG-FQEVSTJZSA-N 465.602 2.138 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1Cc1ccc(C)n(C)c1=O 1722277940 OIJTWIPPPIWKAZ-OAHLLOKOSA-N 451.527 2.484 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1Cc1cccnc1OCC)[C@H]1CCS(=O)(=O)C1 1722366882 SORHBYWMCWQDPM-NRFANRHFSA-N 483.569 2.477 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCCCN2CCCC[C@H]2C)CC1 1722432891 IGNZPSYJZZPMJB-RDGATRHJSA-N 458.651 2.340 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](COC)C1 1722496748 ZSUKASORBRGTNN-ZJOUEHCJSA-N 476.599 2.181 30 10 JEEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1722628487 XIYSOKDVLVTLQO-OAHLLOKOSA-N 451.453 2.193 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CC(=O)N(C)[C@H](C)C2)cc1 1722701958 BKAJDJXAIANDOK-QGZVFWFLSA-N 461.526 2.205 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCN(C(C)=O)CC1 1722706664 WXTOBSICLABUDQ-UHFFFAOYSA-N 454.575 2.125 30 10 JEEE C=CCOc1ccccc1Cn1c(-c2cccnc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1722706995 COJUSGHLAQBQBX-UHFFFAOYSA-N 468.583 2.425 30 10 JEEE C#CCCCCn1c(N(CC#C)[C@@H]2CCS(=O)(=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740579880 OCNJJJAPJTZKDV-HSALFYBXSA-N 489.642 2.479 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cc2ccccc2o1 1740589705 AMQDCGJNLRCUPI-HXUWFJFHSA-N 457.556 2.407 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(C)s1)[C@@H]1CCS(=O)(=O)C1 1740617171 NGVBRVLCKYGXHH-GCJKJVERSA-N 478.640 2.364 30 10 JEEE C#CCN(c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@]1(O)CCO[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1740618163 DATZIEMPGXTMEY-DHTSOJEISA-N 486.638 2.409 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@H](c1ccco1)N(C)C)[C@H]1CCS(=O)(=O)C1 1740619598 PNTUDAKSNHVMHG-ZWKOTPCHSA-N 457.556 2.369 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1nc(C(C)C)cs1)[C@H]1CCS(=O)(=O)C1 1740627961 UNACJRLIGNEBOW-IRXDYDNUSA-N 463.629 2.427 30 10 JEEE C#CCN(CC#CC)c1nnc(Cc2c[nH]c3ccccc23)n1CCS(=O)(=O)N1CCSCC1 1740656053 HPVSCAZVTKYWEB-UHFFFAOYSA-N 496.662 2.192 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CSCCS1 1740680591 IEUSNKUFQXZNAT-KRWDZBQOSA-N 466.654 2.283 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1740681517 OCWAPIGYVKMKTR-GOSISDBHSA-N 451.980 2.109 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCc2ccc(OC)cc2)CC1 1740692402 JWOYGAXFDJWJCJ-VWLOTQADSA-N 453.587 2.325 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CCc2n[nH]c(C)n2)CC1 1740702932 BFTYSRPVFRCAOC-NRFANRHFSA-N 460.586 2.455 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1740759042 FFZFOICJBATHPO-DENIHFKCSA-N 474.631 2.105 30 10 JEEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@](O)(c2ccc(F)cc2)C1 1740858363 PNRBDDBIPZXRHD-IIBYNOLFSA-N 451.568 2.482 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(NC(=O)CCC)cc1 1740900202 WEJAXDQAGVOLEQ-IBGZPJMESA-N 476.603 2.020 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1740954652 QGHGVXRAMDREIA-UHFFFAOYSA-N 464.599 2.122 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1740956300 JQZMVPXBPHGELQ-UHFFFAOYSA-N 499.012 2.338 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 1740960333 PKSNYYMYTWEGQF-GOSISDBHSA-N 462.595 2.215 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2CCC(=O)N(C)C)C1 1740974983 QOHMFTMQXKGCJL-HNNXBMFYSA-N 451.369 2.306 30 10 JEEE CC(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1741553863 BHDXXWYUMFMTDT-OAQYLSRUSA-N 488.614 2.016 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1CCc1nnc(C)s1)[C@H]1CCS(=O)(=O)C1 1748808143 ADZKHNDDVLCSPA-KRWDZBQOSA-N 456.597 2.283 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCc1sc(C)nc1C)[C@H]1CCS(=O)(=O)C1 1748818016 UOIQDCHBDFCLNZ-MSOLQXFVSA-N 463.629 2.115 30 10 JEEE C#CCN(CCOC)c1nnc(CNC(=O)c2cccs2)n1Cc1cn2ccc(C)cc2n1 1748969675 XGRRCHYLZUEQHM-UHFFFAOYSA-N 463.567 2.360 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2CC2(COC)CCOCC2)CC1 1749016737 MNSAJAXRXPIICG-UHFFFAOYSA-N 483.588 2.417 30 10 JEEE C#CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1749044474 QYXWQRRVQWRCFW-IBGZPJMESA-N 451.600 2.236 30 10 JEEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2Cc3ccccc3C2)CC1 1749411757 FODFQGIIRCTWIN-GOSISDBHSA-N 458.632 2.144 30 10 JEEE C=CCn1c(N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1749645528 AHLKHDDPGANKDU-OKZBNKHCSA-N 482.651 2.343 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2ccc(F)c(F)c2)C1 1749712689 KVQBPTHXNVPSAQ-SJORKVTESA-N 452.527 2.482 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCN(CC(F)(F)F)CC1 1749725181 SBCBJPMIXZHVSP-UHFFFAOYSA-N 473.521 2.239 30 10 JEEE C[C@@]1(C#N)CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CC2)C1 1751276450 IAXOPNDOGSSVSR-NRFANRHFSA-N 454.556 2.436 30 10 JEEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1760129485 OWOCMLNNBBEFCU-UHFFFAOYSA-N 455.526 2.322 30 10 JEEE C#CCN(c1nnc(CC)n1C[C@@H](C)Cc1ccc(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1760186070 KADDFVXBSVLYIM-HKUYNNGSSA-N 460.600 2.363 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@]2(C)COCCO2)CC1 1760267141 GXIXEMIZWQFJLC-HSZRJFAPSA-N 457.962 2.370 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)cc(OC)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1760289420 OHWLVNDKPBMVIU-XTAOWTACSA-N 476.537 2.481 30 10 JEEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1(O)CCN(C(C)C)CC1 1760455563 SLANGLLXJFURCN-UHFFFAOYSA-N 475.663 2.404 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(CCOC)[C@@H]1CC[C@H](C)C1 1760521228 NBXZRQOTRDSYAW-ZWKOTPCHSA-N 479.585 2.136 30 10 JEEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(O)(c2ccccc2)CC1 1760526620 QUDBLACQGDTWAY-UHFFFAOYSA-N 480.594 2.060 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC[C@@H](CN3CCC(C)CC3)C2)nnc1[C@]1(OCC)CCOC1 1760529102 XBNHFCXBZHOBPH-OFVILXPXSA-N 474.650 2.181 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](c2ccc(F)cc2)C1 1760555705 LAOVXSVLQPKIDP-IEBWSBKVSA-N 450.536 2.100 30 10 JEEE C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1)c1nccs1 1761396008 HPQMDNNMBKFGTN-MRXNPFEDSA-N 451.556 2.372 30 10 JEEE CC[C@H](C)[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1763399903 BHDFGNHEMJWOHJ-BVZFJXPGSA-N 465.602 2.014 30 10 JEEE CN(C)CCN1CCC(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H](CC(N)=O)C2)CC1 1768513987 FIHRIACNVKTWRT-QFIPXVFZSA-N 478.645 2.182 30 10 JEEE C=CC1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCS(=O)(=O)NC(C)C)CC1 1772554904 RXNQLNMFBUBTLN-NRFANRHFSA-N 455.625 2.049 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1772659863 JYHOFERSSVGMIQ-CXAGYDPISA-N 467.954 2.053 30 10 JEEE C#CCOC(=O)NS(=O)(=O)c1ccc(CCNC(=O)Cc2ccc(Br)cc2)cc1 1859013007 LUYZRXZFBLURGV-UHFFFAOYSA-N 479.352 2.399 30 10 JEEE COc1ccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCN2CCOCC2)cc1O 1862595142 ZTBXQLBWAZLEGG-OAQYLSRUSA-N 454.479 2.017 30 10 JEEE C=CCn1cc(OCCN2C(=O)c3ccccc3C2=O)c(=O)cc1CN1CCN(c2ccccn2)CC1 1870378067 JHHOAZULZIWDQA-UHFFFAOYSA-N 499.571 2.427 30 10 JEEE C=CCOc1cn(CCc2cnc[nH]2)c(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1=O 1870385310 ROFSWJMYABWCQF-UHFFFAOYSA-N 477.565 2.425 30 10 JEEE C=CCn1cc(OCC(=O)NCc2ccc(OC)cc2)c(=O)cc1CN1C[C@H](C)O[C@@H](C)C1 1870648245 OLNMWYVGRGSJKA-OALUTQOASA-N 455.555 2.347 30 10 JEEE COc1ccc(CCc2nnc(SCC(N)=O)n2/N=C/c2cccc(OC)c2O)cc1OC 1874219141 WUGQPYBPEDAKHM-WYMPLXKRSA-N 471.539 2.254 30 10 JEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@](C)(CO)NC(=O)OC(C)(C)C 2255829578 RIRGZUMLNJZICC-OAQYLSRUSA-N 454.398 2.361 30 10 JEEE Cc1csc(C(=O)N[C@H]2COC[C@@H]2NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2255836867 GECPBESWYJGGFI-KBPBESRZSA-N 452.382 2.378 30 10 JEEE C[C@@H](NC(=O)CN(CCO)C(=O)OC(C)(C)C)c1cscc1B1OC(C)(C)C(C)(C)O1 2256612508 FORYZDAKZBMYIG-CQSZACIVSA-N 454.398 2.454 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2256623179 BNZCGKIQIVDQIY-QWHCGFSZSA-N 452.386 2.139 30 10 JEEE C[C@@H]1[C@H](CC(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)CCN1C(=O)OC(C)(C)C 2256676799 QTGDKGDPQHWNKK-OLZOCXBDSA-N 452.386 2.233 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(CNC(=O)C2(NC(=O)OC(C)(C)C)COC2)s1 2256677524 XXSUPTFAYCYHTJ-UHFFFAOYSA-N 452.382 2.266 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CN(S(=O)(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)cc3)C[C@@H]21 2267378664 NFXFLHSOTPALDZ-BCDXTJNWSA-N 464.393 2.129 30 10 JEEE CC(C)(C)OC(=O)N[C@@](C)(CO)CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1F 2267402725 DGNPMUOCQHDFDJ-JOCHJYFZSA-N 452.332 2.130 30 10 JEEE CC1(C)OB(c2csnc2C(=O)N2C[C@H]3[C@@H](C2)OCCN3Cc2ccccc2)OC1(C)C 2267488879 VKKPCMVOTHFUJF-RBUKOAKNSA-N 455.389 2.168 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1COC[C@H]1NC(=O)c1c(F)cccc1B1OC(C)(C)C(C)(C)O1 2281786139 DFJCHXCAVKVJBA-WMLDXEAASA-N 464.343 2.394 30 10 JEEE Cn1ncc(C(=O)N2CC[C@H](C(C)(C)NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2281814897 OJEBNOOLCYYIGB-HNNXBMFYSA-N 462.400 2.485 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)[C@@H](C(F)(F)F)C1 2281993141 WVLOJCDSAQOEKU-CYBMUJFWSA-N 474.289 2.333 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1COC[C@H]1NC(=O)c1cc(F)ccc1B1OC(C)(C)C(C)(C)O1 2282406897 QFAGVGSBYOQUJY-KBXCAEBGSA-N 464.343 2.394 30 10 JEEE Cn1cc(C(=O)N2C[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@H]3C2)nc1B1OC(C)(C)C(C)(C)O1 2282547974 UMMSPRAOMGJUIN-HOTGVXAUSA-N 460.384 2.048 30 10 JEEE Cc1nn(C)c(C(=O)N2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2282560622 WBPBMTYYLNVMTA-MRXNPFEDSA-N 462.400 2.499 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N=[S@@](C)(=O)C[C@H](C)NC(=O)OC(C)(C)C 2282607828 ZHPQNXAKCJJYDE-UUBFPDNSSA-N 484.428 2.353 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H]2OCCN(C(=O)c3ccoc3B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2282628156 SBBHPTHGCKBJRA-IAGOWNOFSA-N 462.352 2.429 30 10 JEEE Cc1cccc(C(=O)N2C[C@@H](O)C[C@@H](NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2282643584 CLLAARRILVGAKW-SJORKVTESA-N 460.380 2.394 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1C[C@@H](C)C[C@H](NC(=O)C(F)(F)F)C1 2282682512 POMRZXALIVUNMQ-ZFWWWQNUSA-N 457.302 2.336 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2CC[C@]2(C)CCOCc2ccccc2)n1 2282833711 JJQMDFNNQORKNK-HSZRJFAPSA-N 475.420 2.479 30 10 JEEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1N(C)C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2283058487 FBYNKUBRXCXENM-CVEARBPZSA-N 460.384 2.493 30 10 JEEE COC(=O)[C@@H](CC(=O)NCc1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1)NC(=O)OC(C)(C)C 2283928463 BUHXVUJMJJTFRO-OAHLLOKOSA-N 482.408 2.428 30 10 JEEE CC(C)(C)OC(=O)N[C@H](C(=O)NCCc1ccccc1B1OC(C)(C)C(C)(C)O1)C(C)(C)O 2284050852 DUCDTBZFEUEPKG-GOSISDBHSA-N 462.396 2.309 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@H](CCC(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C1 2294991066 HRPMQYRNVWCQSQ-HNNXBMFYSA-N 481.424 2.475 30 10 JEEE COc1ccc(C(O)=C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccc(OC)c2)cc1 2296079089 BXPMOTWUWFUNKQ-JOCHJYFZSA-N 452.507 2.458 30 10 JEEE COCCN1C(=O)C(=O)C(=C(O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@@H]1c1cccc(OC)c1 2297744807 NOSCJQKPCNBLAG-FQEVSTJZSA-N 474.535 2.014 30 10 JEEE COC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1N=Cc1ccc(OC)c(OC)c1 2329035157 NVEAEJKSDZUGLA-OAHLLOKOSA-N 461.544 2.167 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2C[C@H](B3OC(C)(C)C(C)(C)O3)C2)[C@H](CC(N)=O)C1 2343356431 VUOSNAKJFWRHSA-BZUAXINKSA-N 451.373 2.182 30 10 JEEE C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(F)c(F)cc1B1OC(C)(C)C(C)(C)O1 2351770039 ASXDUANAIXJIAD-BDJLRTHQSA-N 456.295 2.477 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H](NC(=O)OC(C)(C)C)C(F)(F)F)n1C 2362333720 VPJTYPAZXGKODP-LBPRGKRZSA-N 476.305 2.213 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1[C@H]2CC[C@H]1[C@H](CNC(=O)OC(C)(C)C)C2 2362465687 TXBCIIOOUISYPM-JYJNAYRXSA-N 460.384 2.237 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)O[C@@H](C)C(=O)Nc3ccc(S(=O)(=O)NC(C)C)cc3)cc2C1=O 9702219 GVQGMTLGPAEAEG-HNNXBMFYSA-N 499.545 2.339 30 10 JEEE COCCCN/C(=N\C(=S)Nc1cc(C(=O)OC)cc(C(=O)OC)c1)Nc1nc(C)cc(C)n1 14158682 JDYBOWLHVNIMQM-UHFFFAOYSA-N 488.570 2.458 30 10 JEEE C=CCn1cc(/C=N/Nc2nnc(SCC(=O)Nc3nc4ccccc4s3)n2N)cn1 59830140 WSQDVEORAUDHMB-DNTJNYDQSA-N 454.545 2.161 30 10 JEEE O=C(Nc1sc2c(c1C(=O)NC[C@H]1CCCO1)CCC2)C1=C/C(=C2\C=CC=CC2=O)NN1 136565748 UEDKPCKEBZPQSK-XUVDNFPMSA-N 452.536 2.025 30 10 JEEE C=CCn1c(S)nnc1Cc1csc(NC(=O)[C@H]2CCN(C)C[C@@H]2c2cnn(C)c2)n1 849491986 BKEKDIVVXMPCIY-JKSUJKDBSA-N 458.617 2.208 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)Nc3ccccn3)n2CCN2CCCCC2)c1 1286309272 PUVOWDBUVGWGEO-UHFFFAOYSA-N 486.580 2.468 30 10 JEEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(CCOC)[C@H](CC)C1 1286349526 JSAGKSDYEZMEHX-JOCHJYFZSA-N 466.634 2.413 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@@H]1CCCN1CCC)[C@H]1CCS(=O)(=O)C1 1286394969 YJLRLPQGXVNAPI-PMACEKPBSA-N 461.657 2.432 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccsc1Br)[C@H]1CCS(=O)(=O)C1 1286395841 SOMZEQXXFVKVHO-CABCVRRESA-N 485.429 2.281 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@H](C)Oc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1286396645 WSFLSELQZZBGOD-PZJWPPBQSA-N 465.579 2.358 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1[C@H]1C[C@H](c2ccccc2C)C1 1286409033 HTPRBWYQMATJEV-ONTIZHBOSA-N 467.595 2.111 30 10 JEEE C#CCN(CCOC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1Cc1ccc(C(N)=O)nc1 1286464701 FEJFHADZQFZLID-UHFFFAOYSA-N 497.600 2.021 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2CCn2cc(Cl)cn2)CC1 1286484849 YIIBZPQHBANJNR-UHFFFAOYSA-N 455.950 2.171 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1OCC[C@H]1C 1286742555 LWJXWUGCBIMASP-FUHIMQAGSA-N 458.588 2.378 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 1286789040 NSHCSTZXDFEIBV-GOSISDBHSA-N 455.563 2.060 30 10 JEEE C=CCNC(=O)Cn1c(N2CCO[C@@](C)(c3ccccc3)C2)nnc1[C@]1(OC(C)C)CCOC1 1286793997 RUWVBBPKAWLYMX-RPBOFIJWSA-N 469.586 2.373 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](N2CCCCC2)C1 1286815219 OXDPOVVDXTYSET-OAQYLSRUSA-N 454.600 2.482 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(CC(=O)N(C)C)CC1 1286816097 FLVGNLKFGLTZPL-UHFFFAOYSA-N 470.599 2.112 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC(NC(=O)c2ccsc2)CC1 1286818292 FTWZFRYCSYHBMJ-UHFFFAOYSA-N 474.612 2.334 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CCC[C@H](n2cncn2)C1 1286822296 CUAZDYROFIKLDR-IBGZPJMESA-N 471.587 2.199 30 10 JEEE CC(C)C(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)N2CCOCC2)CC1 1287119724 DWSQQMYFRQTXRI-LJQANCHMSA-N 465.602 2.278 30 10 JEEE CC(C)Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CC1(S(C)(=O)=O)CCCC1 1287474730 FXNUEWJUUYTVDR-SFHVURJKSA-N 486.646 2.211 30 10 JEEE C#CCCCCn1c(-c2ccc(OC)cc2OC)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1300352786 PEPSZUPBUNNRNV-SFHVURJKSA-N 456.568 2.393 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCCCc1ccccc1)[C@H]1CCS(=O)(=O)C1 1300479565 PIQZUSIETBGTKG-FQEVSTJZSA-N 457.600 2.066 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@@](C)(O)CCC)[C@@H]1CCS(=O)(=O)C1 1300489422 NUSDBUMLGGNYKQ-HXOBKFHXSA-N 476.599 2.140 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1CC(O)(CC)CC)[C@H]1CCS(=O)(=O)C1 1300490050 YDAWWQUYBRQVAN-KRWDZBQOSA-N 476.599 2.140 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C 1300780476 QXYHSJFPGWIZBD-DRSNIGMVSA-N 482.651 2.430 30 10 JEEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1300960806 MHHNTDZSIDUGIQ-IBGZPJMESA-N 457.648 2.450 30 10 JEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1300972669 NYTDVJWVDKSIRY-FQEVSTJZSA-N 456.595 2.232 30 10 JEEE C=CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1301450205 RDOHLKCVIRPRSQ-UHFFFAOYSA-N 461.592 2.481 30 10 JEEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1301491611 UNCIMGJFBCOEKV-GOSISDBHSA-N 463.586 2.482 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@]2(OC)CCOC2)C1 1301535950 PYYJIXKTJFBOMU-WMZHIEFXSA-N 475.977 2.448 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccc(Br)n2)C1 1301555298 AXAQOCACIAGHSR-GOEBONIOSA-N 482.404 2.167 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccncc3)n2CC2(NC(=O)OC(C)(C)C)COC2)C1 1301567351 VWWJIZKGAYWSGK-LJQANCHMSA-N 470.574 2.339 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H](NC(C)=O)C1 1301567917 AODWULAMNFLQQR-QFBILLFUSA-N 479.578 2.263 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](c2ccccc2)[C@H]1C 1301568171 PSLIDACDPNVYFU-QUCCMNQESA-N 457.600 2.497 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1301569492 XKEMIPOEWLTSJQ-VQIMIIECSA-N 450.609 2.111 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(c2cc(F)cc(F)c2)CC1 1301589675 WDMPGWZLSIKOGX-KRWDZBQOSA-N 481.569 2.378 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1cccc(CN2CCOCC2)c1)[C@@H]1CCS(=O)(=O)C1 1358954957 BFZPVVCOLYWUTC-JOCHJYFZSA-N 485.654 2.083 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1CC1(N2CCCC2)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1358957213 REXZBIPOCBSXOE-WOJBJXKFSA-N 463.648 2.063 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCC(=O)NC(C)C)CC1 1359039502 LOZFFVGVICDWCK-IBGZPJMESA-N 473.622 2.020 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2cccc(CN(C)CC)c2)CC1 1359044052 SQMSOIOWFSSQQA-UHFFFAOYSA-N 472.597 2.201 30 10 JEEE C#CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1359050055 DZOBGFKXSWAZAU-IBGZPJMESA-N 498.472 2.428 30 10 JEEE C#CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@@H](CC(N)=O)C1 1359056112 YLATWTZMGGSFNQ-HNNXBMFYSA-N 451.556 2.052 30 10 JEEE C#CCSCCn1c(N2CCN(C(=O)N3CCCCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1359061420 BIFHWIVEMTXSPD-XMMPIXPASA-N 490.674 2.413 30 10 JEEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCCc1ccc(OC)cc1 1359150517 ACILQWALZKHZIK-LJQANCHMSA-N 484.022 2.441 30 10 JEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(Cn3cccn3)cc2)CC1 1359158997 KBZVWWNKWSXXRB-SFHVURJKSA-N 455.588 2.338 30 10 JEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2cccs2)CC1 1359228101 UGLRKKDIZJXDPX-GOSISDBHSA-N 465.645 2.157 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2CCS(=O)(=O)CC2)C1 1359326407 ZJWXZIVESXDTKI-OAQYLSRUSA-N 471.583 2.335 30 10 JEEE CC(C)CC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1359889651 DEEYJQVQHYDMFR-QHCPKHFHSA-N 474.631 2.476 30 10 JEEE C=CCS(=O)(=O)CCNS(=O)(=O)c1csc(-c2cccc(Br)c2)n1 1463386313 DXPWVHNNZFJUIG-UHFFFAOYSA-N 451.389 2.452 30 10 JEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CSC[C@H]1C(=O)N1CCSCC1 1464546289 UKACZNDCLNBBFA-KGLIPLIRSA-N 450.026 2.499 30 10 JEEE C=C[C@@H](C)ONC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(F)(F)F 1475874090 NRAZFBQEBBAVRV-GFCCVEGCSA-N 453.439 2.276 30 10 JEEE C[C@@H]1C[C@@H](CCn2c(COc3ccc(C#N)cc3)nnc2N2CCN(S(C)(=O)=O)CC2)CCO1 1493302897 BZPLYWGRIXIZOR-MOPGFXCFSA-N 488.614 2.016 30 10 JEEE C#CCCCn1c(N(CC#C)[C@@H]2CCS(=O)(=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1507600009 WHTLXPDNUUWAKC-CEXWTWQISA-N 475.615 2.089 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(N(C)C)nc1)[C@@H]1CCS(=O)(=O)C1 1507625682 ARNFABGMWDTXJB-GOSISDBHSA-N 486.001 2.130 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNc1ncc(Cl)cc1Cl 1507654347 ZEYIIHZJNGONIG-AWEZNQCLSA-N 467.382 2.067 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCN1CCCCCC1=O 1507667480 NCNDJTTURDNZHD-UHFFFAOYSA-N 485.592 2.448 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H]2CCC=CO2)CC1 1507733443 ZAIJXQVYFZWSKF-HSALFYBXSA-N 456.591 2.497 30 10 JEEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCCN(c2nc(C)ns2)CC1 1507743804 KBOGBHCUQZVPHJ-UHFFFAOYSA-N 476.676 2.440 30 10 JEEE C=C(C)CN(CC)c1nnc(CN2CCCC2=O)n1C[C@H]1CCCN1c1cc(NC)ncn1 1507821562 GZEZKCDBWONBCB-GOSISDBHSA-N 453.595 2.304 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCS(=O)(=O)N(C)C 1507822110 SVAPOVVVJYPXMC-CALCHBBNSA-N 470.640 2.343 30 10 JEEE C=CCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1508057951 NDWCUBYNEGTWPC-UHFFFAOYSA-N 492.628 2.241 30 10 JEEE C=CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1508151729 NSEPYSINUYSCIK-UHFFFAOYSA-N 462.023 2.313 30 10 JEEE N#C[C@]1(F)CCN(c2nnc(C(=O)Nc3ccccn3)n2CC(=O)Nc2ccc(F)cc2)C1 1521055804 HNZMPDHLRBKNBU-OAQYLSRUSA-N 452.425 2.145 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(C(=O)N(C)C)CCCC1 1538982275 CPPMENJNFZOCSH-SFHVURJKSA-N 486.642 2.302 30 10 JEEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1539030834 ULOAPXLJOOUPEQ-SFHVURJKSA-N 475.553 2.441 30 10 JEEE C#CCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(C(=O)NCCOC)CC1 1539123934 AAXZYTAPXVQBSN-OAQYLSRUSA-N 453.543 2.183 30 10 JEEE C#CCN(c1nnc(-c2cc(C)nc3ccccc23)n1CC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1539205962 LADPPALBXRDYOU-QGZVFWFLSA-N 453.568 2.199 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H](C)SC)[C@@H]1CCS(=O)(=O)C1 1539212552 QKLHPQIIIDOWRP-HZPDHXFCSA-N 464.613 2.341 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1CCCOC[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 1539219991 PAUGLARIWADQCQ-RBUKOAKNSA-N 452.621 2.079 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H]2CCC[C@H](O)C2)CC1 1539427664 GMVCTRWVMSJLKF-IRLDBZIGSA-N 450.587 2.454 30 10 JEEE C#CCN1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2Cc2conc2COC)CC1 1539446447 CIFCREZOQORMJF-UHFFFAOYSA-N 499.616 2.331 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(C)CCO[C@@H]1C1CC1 1539668814 GOLWUVOERPRELX-JQVVWYNYSA-N 467.636 2.219 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(F)c(F)c2)CC1 1539847415 FETSZCOTIORCJF-GOSISDBHSA-N 453.515 2.094 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1540874471 HTCWRGZFEROEBR-HXUWFJFHSA-N 468.602 2.469 30 10 JEEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 1547253392 GCRNLWBYDUEFTI-SFHVURJKSA-N 464.530 2.427 30 10 JEEE CCOCC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1548064960 BZQXOLLEYBMHED-GOSISDBHSA-N 461.588 2.415 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1C[C@]1(C)CCCO1)[C@H]1CCS(=O)(=O)C1 1588034050 APGDKQJCKRDWKK-JXFKEZNVSA-N 496.431 2.242 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCCOC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1588059871 WRKWDXOOCVBTTE-OAQYLSRUSA-N 490.601 2.220 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCNC(=O)c1ccco1 1588128423 KUDKIJOTCVOLGU-UHFFFAOYSA-N 483.532 2.161 30 10 JEEE C#CCN(CC#CC)c1nnc(Cn2ccc3ccccc32)n1CCN/C(O)=C1\N=CC=CC1=O 1588245815 RPORRXLFEJRXNL-OCOZRVBESA-N 467.533 2.270 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)Nc2ccccn2)n1CC[S@@](=O)CC 1588473055 KPYQUMQWWNZQDX-YTTGMZPUSA-N 454.531 2.473 30 10 JEEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](C)COCc2ccccc2)CC1 1588865288 RWPXQVICJPHWGX-NRFANRHFSA-N 450.587 2.009 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3OCC)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1588871726 OGNHTOPSSFLZMM-QFIPXVFZSA-N 480.613 2.270 30 10 JEEE C#CCSCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1588984391 HFMJRIRHOUFOBR-AEFFLSMTSA-N 498.588 2.456 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N(C)CC(C)(C)CN1CCOCC1 1589556624 CXXTVJXMKUPZPE-NFBKMPQASA-N 474.650 2.176 30 10 JEEE C=C(C)COCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@](C)(C(=O)NC)C1 1593747399 VRSPLRGIIPXZEJ-HOYKHHGWSA-N 492.621 2.142 30 10 JEEE C=C(C)COCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1593763382 IPZHASRYYNGABX-QUCCMNQESA-N 452.515 2.256 30 10 JEEE C=CCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCN(CCOC)[C@H](C)C1 1595387044 NQPIJALDSSMEOL-GOSISDBHSA-N 451.575 2.408 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cccc(Cl)c2C)C1 1595729660 NQOQFAXRXIAORX-QUCCMNQESA-N 496.033 2.402 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1595821431 BNMNTLCWHBZALL-SFTDATJTSA-N 476.599 2.151 30 10 JEEE CCOC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C2CC2)N(C)C)CC1 1615999355 DDZCFRPPYBTPJJ-OAQYLSRUSA-N 467.574 2.347 30 10 JEEE COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)NC(=O)OC(C)(C)C)CC1 1619546555 AETJSEKODLJSJK-UHFFFAOYSA-N 497.600 2.415 30 10 JEEE C#CC[C@]1(C(=O)NCC(=O)N2CCN(c3ccccc3)CC2)CCCN1C(=O)OC(C)(C)C 1626141828 YBWXBWRVLIBISO-RUZDIDTESA-N 454.571 2.244 30 10 JEEE COc1cc(OC)c(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1Br 1634541410 DLIWHIZGRINDAQ-UHFFFAOYSA-N 454.302 2.255 30 10 JEEE C#CCN1CCC(NC(=O)c2nnn([C@H]3CCN(C(=O)OC(C)(C)C)C3)c2C(F)F)CC1 1638678235 DPEWEDTYIBQCRF-HNNXBMFYSA-N 452.506 2.225 30 10 JEEE C#CCCCn1c(-c2ccccc2F)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1689922895 DISOOBOEOUBESZ-UHFFFAOYSA-N 471.562 2.050 30 10 JEEE C#CCCCn1c(CCOc2ccccc2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1689935766 RMNWIMLPVDVHED-XMMPIXPASA-N 450.543 2.128 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H](CC=C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1689977903 GUNJULOREAIVEA-LEWJYISDSA-N 469.611 2.403 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCN1CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1689982492 OQPRZIZWFLBCQB-KNQAVFIVSA-N 466.611 2.175 30 10 JEEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCNC(=O)c1cccs1 1690047074 LDOXLBFJOXAGBE-UHFFFAOYSA-N 488.621 2.407 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CC2(O)CCOCC2)CC1 1690115311 ASWZVGWULWMFLA-UHFFFAOYSA-N 474.403 2.313 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCOc2ccccc2)CC1 1690375607 OZARHKGRKGIPHQ-FQEVSTJZSA-N 461.588 2.237 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1CCOCC1 1690560563 WIBGLIMHKYDTPG-JOCHJYFZSA-N 498.653 2.355 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N(CC)Cc1nc(O)c2ccccc2n1 1690670634 GERCRCBAIUDKLT-MRXNPFEDSA-N 451.531 2.150 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC(NC(=O)c2ccccc2C)CC1 1690678036 IZVUSQFQPGFRJO-HXUWFJFHSA-N 452.559 2.139 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc3ccccc3o2)nnc1N1CCN(C(=O)NCC)CC1 1690717886 UBMZFOAPNKBQRE-UHFFFAOYSA-N 472.571 2.144 30 10 JEEE C=CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1690750663 OCPFTBGHPSUWDR-UHFFFAOYSA-N 481.582 2.169 30 10 JEEE C#CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1705547286 BKFGKHFTTZLPPJ-ZZEZOPTASA-N 485.342 2.312 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCCc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1705564194 AXKOHNNGPNSZEO-LEWJYISDSA-N 472.611 2.440 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1c(F)cccc1OC(F)F)[C@@H]1CCS(=O)(=O)C1 1705567024 SJXNMHNTUDWVFT-LSDHHAIUSA-N 484.500 2.198 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1705694039 NIEKWEKVATVZAX-UXHICEINSA-N 474.606 2.410 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1705706568 WXTPOXOOFNKDQH-DYXWJJEUSA-N 462.620 2.134 30 10 JEEE C=C(Cl)Cn1c([C@H]2CCOC2)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 1705754667 CTOZEVGBFQPMKY-KRWDZBQOSA-N 451.980 2.436 30 10 JEEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccc(C)c(C)c2)CC1 1705755866 ZHIPVEXQKLNUPI-HXUWFJFHSA-N 495.049 2.307 30 10 JEEE C=CCC(C)(C)Cn1c(N2CCN(C(=O)[C@H]3CCCN3C)CC2)nnc1[C@]1(OCC)CCOC1 1705802791 WGGPNFGMIIFJEA-NLFFAJNJSA-N 474.650 2.275 30 10 JEEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@](O)(c1ccccc1)C(F)(F)F)C1CC1 1705849420 MAWRGXFRSUTPLK-LIRRHRJNSA-N 473.521 2.493 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCc1cnn(C)n1 1705864650 ILWVPVUYQONJEX-GOSISDBHSA-N 473.578 2.273 30 10 JEEE C=CCN(CCOC)c1nnc(-c2cc(OC)ccc2Br)n1C[C@]1(O)CCN(C)C1 1705882391 VPTHLHJHTJDJBX-NRFANRHFSA-N 480.407 2.422 30 10 JEEE Cc1ccc(C)c(OCc2nnc(N(C)C[C@H](C)C#N)n2CC2(O)CCS(=O)(=O)CC2)c1 1707327417 ICVDYPPJKMBSHB-QGZVFWFLSA-N 461.588 2.010 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccnc(OCc2ccccc2)c1 1722279811 USVMMGAYWQFUSH-QZTJIDSGSA-N 468.583 2.369 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@H](C)N1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1722364634 ISUFOLWRTIMIMR-GHTZIAJQSA-N 490.699 2.381 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCN(CCC)C(=O)OC(C)(C)C)CC1 1722433334 RDHQLRYNADWMFP-RUZDIDTESA-N 490.649 2.333 30 10 JEEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN([C@H]2C[C@H]3CC[C@H]2C3)CC1 1722479031 FBDMWLIJHPHIBE-QZWWFDLISA-N 487.468 2.108 30 10 JEEE C=CCN(c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@]1(O)CCS(=O)(=O)C1)C1CC1 1722646896 YJVZWUOVCULSKP-FQEVSTJZSA-N 452.964 2.312 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2COc3ccccc3O2)n1CCN1CCN(C(C)=O)CC1 1722671967 HAPGWJQSFZJLQA-JOCHJYFZSA-N 452.559 2.133 30 10 JEEE C=CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1722686272 VTLIVMPKXMLGGY-FYSMJZIKSA-N 487.605 2.393 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 1722697538 LGRFVKMKRXUFKY-UHFFFAOYSA-N 485.951 2.341 30 10 JEEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC=C(C(F)(F)F)CC1 1722698150 VRCGIBDPNFMKQQ-UHFFFAOYSA-N 483.520 2.239 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](CN2CCCCC2)C1 1722701793 DSISFFKOKABCSA-OAQYLSRUSA-N 463.586 2.343 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCN2C(=O)OC[C@H]2C1 1722704609 VQMXPKWMCLIUNV-OAHLLOKOSA-N 462.963 2.167 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCC2(O)CCOCC2)C1 1722712161 ZYOKYDLURQXBFW-CVDCTZTESA-N 450.580 2.032 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](CC)c2ccccc2)nnc1N1CCO[C@]2(CCOC2)C1 1722724292 SNLGKARELJMNAU-NFBKMPQASA-N 460.600 2.417 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](C)[C@H]1C 1722726892 CSBGSZDXZVJKBH-KURKYZTESA-N 483.635 2.422 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCS[C@H](C)C1 1722728612 SGEIETUKFZPTOX-CRAIPNDOSA-N 450.586 2.333 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@H](N2CCCC2=O)C1 1722731421 KGNOOGDUGYOQMZ-FQEVSTJZSA-N 487.626 2.276 30 10 JEEE CC(=O)N1CCCN([C@@H]2CN(c3nnc(C(C)(C)C)n3Cc3ccc(C#N)o3)C[C@@H]2C)CC1 1722776084 XUQZQZHRJQRLQV-LAUBAEHRSA-N 453.591 2.467 30 10 JEEE CC(C)(C)OCc1cccc(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C#N)C2)c1 1723010888 GQDLHWYIGZWYND-FQEVSTJZSA-N 452.559 2.493 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CCN1CCCCC1 1723602742 DDYIWIGJQZXSRO-UHFFFAOYSA-N 464.618 2.491 30 10 JEEE CC1(C)CCCN(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCN(S(C)(=O)=O)CC2)C1 1724023848 FDMZVVGTSPGRPC-UHFFFAOYSA-N 471.631 2.020 30 10 JEEE CCOC1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(S(C)(=O)=O)CC2)CCCC1 1728829699 DRUMJFHKRYJQHH-UHFFFAOYSA-N 458.588 2.248 30 10 JEEE COC1(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](c3cccc(C#N)c3)C2)CCC1 1729936166 DXECUZMHWNWMJS-YLJYHZDGSA-N 488.614 2.297 30 10 JEEE CS[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1)C(C)(C)C 1731053326 GGWFHKCNFBFMHX-DLBZAZTESA-N 470.665 2.129 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCCCCOC)[C@@H]1CCS(=O)(=O)C1 1740620982 YXMFCIKVLYHROY-MRXNPFEDSA-N 484.420 2.479 30 10 JEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1CCc1cn[nH]c1)[C@H]1CCS(=O)(=O)C1 1740626339 UCWBWWDBTNETHF-IBGZPJMESA-N 458.975 2.115 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H](C)CN1CCCCC1 1740631433 TXQAECYECXDGNN-NRFANRHFSA-N 482.654 2.390 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1CCCN1C[C@@H](C)O[C@H](C)C1 1740681453 MGRBGQYNYZTHSN-RTBURBONSA-N 455.559 2.259 30 10 JEEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCCCN1CC 1740684011 UFYWAJAKHRVCCF-LJQANCHMSA-N 473.647 2.199 30 10 JEEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)c1ccccc1C 1740717249 NCRMHVGFZXYSAY-UYAOXDASSA-N 477.656 2.483 30 10 JEEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1740746626 MUSGDHRMDLOHRT-UHFFFAOYSA-N 482.452 2.189 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1740749832 FYDZRDXXZHTZBW-RTBURBONSA-N 458.607 2.190 30 10 JEEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)c2ccsc2)CC1 1740886015 UAECDYXKUUJUIS-SFHVURJKSA-N 458.588 2.236 30 10 JEEE C=CCCOCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1740887084 BQLPJBHNHCPCCN-UHFFFAOYSA-N 490.555 2.314 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C2CC2)C1 1740957629 VDAYRWBTNFNWQP-ZWKOTPCHSA-N 469.590 2.325 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(C)C)CC1 1740995413 KZBNQZJJOWXGOH-IBGZPJMESA-N 496.678 2.481 30 10 JEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(CN2CCOCC2)CC1 1748735581 RIMVYAMWYUNSHV-UHFFFAOYSA-N 471.627 2.311 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1Cc1csc(COC)n1)[C@@H]1CCS(=O)(=O)C1 1748818399 BEQUAZOJSRYHNQ-QGZVFWFLSA-N 477.637 2.208 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@](C)(O)CCOC 1748902728 RZIXMODXSQMCNK-GLDPYIMESA-N 459.591 2.299 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1Cc1ncnn1C(C)(C)C 1748963861 CKBNVYCZRIRWFA-LJQANCHMSA-N 451.531 2.271 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc(C)o3)n2C[C@@]2(C)COCCO2)n1 1748970966 YSASJBAOTHEXEB-QHCPKHFHSA-N 454.531 2.135 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H]2NC(=O)CC2(C)C)CC1 1749019452 USOHYTHJNIEREI-SFHLNBCPSA-N 484.645 2.077 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCNC(=O)C1 1749130325 KQLYIRGTQIWSLL-QUCCMNQESA-N 474.606 2.310 30 10 JEEE COC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1)OC 1749326968 CULYZBFZDHAVIY-LJQANCHMSA-N 455.563 2.108 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCS(=O)(=O)C1 1749574698 CPIRLGXMBFYIOM-ZWKOTPCHSA-N 481.619 2.200 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC(C(=O)Nc2ccc(C)cn2)CC1 1749729308 GITBJIJHVTXJCY-UHFFFAOYSA-N 495.609 2.499 30 10 JEEE C[C@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CN(Cc2ccccc2)CCO1 1750060343 GOKNBKHFPOTESP-TZIWHRDSSA-N 474.569 2.422 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccccc1CN1CCC[C@@H]1CO 1760096365 KOLOYCKHPJDZTJ-SIKLNZKXSA-N 473.581 2.388 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCc1nc(C)no1 1760116577 ILQSKSPICVYVHP-NVXWUHKLSA-N 459.551 2.369 30 10 JEEE C#CCCCCn1c([C@H]2CCOC2)nnc1N1CCN(CC(=O)NCc2ccccc2)CC1 1760138039 PZPYADCXIPYWBY-QFIPXVFZSA-N 450.587 2.024 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1C(F)(F)C12CCC2)[C@H]1CCS(=O)(=O)C1 1760184412 XAEJWAFGUHMBGA-IRXDYDNUSA-N 483.585 2.259 30 10 JEEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1cccc(C(F)F)c1)[C@H]1CCS(=O)(=O)C1 1760192551 VPSFOKFKFMMVMJ-SFHVURJKSA-N 477.537 2.013 30 10 JEEE C#CCN(c1nnc(COCC)n1C[C@H](C)Oc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1760193133 UUAUSVYOCRFKQZ-DLBZAZTESA-N 450.536 2.048 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCc2nnc(C)s2)CC1 1760254832 MRGMDMBURNWLNU-UHFFFAOYSA-N 453.572 2.120 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)CC1 1760255800 ITTJMCQIWGQJER-LJQANCHMSA-N 481.963 2.232 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2CCCNC(=O)c2occc2C)CC1 1760269980 QVFKYBQEGMBHOA-UHFFFAOYSA-N 452.559 2.233 30 10 JEEE C#CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 1760279367 ARENSCSOTMFRAX-HNNXBMFYSA-N 474.612 2.220 30 10 JEEE C=C(C)COCCn1c(COc2ccccc2F)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1760360852 BSABMDNBDNTHRV-UHFFFAOYSA-N 488.564 2.163 30 10 JEEE C=CC1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1760398836 OEPOPXGJEKEDMS-QGZVFWFLSA-N 464.613 2.186 30 10 JEEE C=CCCCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1760443757 LNEXTTJBPUCLPS-QGZVFWFLSA-N 454.510 2.494 30 10 JEEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1760445441 JVYQNVZPLUXKCW-UHFFFAOYSA-N 453.469 2.342 30 10 JEEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1760507607 SCHNHDZFJZVHEB-KRWDZBQOSA-N 460.604 2.075 30 10 JEEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)C1CCN(CCC)CC1 1760521490 UNTHOFGKDONDFG-UHFFFAOYSA-N 464.574 2.207 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C(=O)NCC)CC1 1760552032 ZOGKOEJXNFLVIF-UHFFFAOYSA-N 484.985 2.190 30 10 JEEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)CC(C)(C)C1 1760565703 CQKCQVHPEBFGOY-DLBZAZTESA-N 457.666 2.403 30 10 JEEE CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)N2CCC[C@@H](C)C2)CCO1 1767707201 GUIJXGLLIWIEKB-WIYYLYMNSA-N 465.602 2.278 30 10 JEEE O=C(O)CNC(=O)C[C@@H]1SC(=NN=Cc2ccc(Cl)cc2)N(c2ccc(O)cc2)C1=O 1772723206 XOSVWOSBKFTGCH-INIZCTEOSA-N 460.899 2.475 30 10 JEEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1ccc(N(C)C)cc1 1862628798 HDAYQQZOCDGKPG-NRFANRHFSA-N 451.479 2.196 30 10 JEEE C=CCNC1=C(c2ccc(Br)cc2)C(=O)N(Cc2ccc(S(N)(=O)=O)cc2)C1=O 1863555624 ZLCFIOUGXGSCHL-UHFFFAOYSA-N 476.352 2.152 30 10 JEEE CC[C@@](C)(NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(=O)N1CCN(c2ncccn2)CC1 1868795535 LZGIEENIZIHVBD-CJFMBICVSA-N 495.653 2.448 30 10 JEEE COC(=O)CSc1nnc([C@@H]2CC(=O)N(Cc3ccccc3)C2)n1/N=C/c1ccncc1 1874211866 XKYSXGYFMSFCSS-SZMVHAFZSA-N 450.524 2.337 30 10 JEEE CCc1cc(=O)n2c(n1)SC[C@@H]2CC(=O)N1CCC(CN(C)c2ncccc2C#N)CC1 1890260466 GHNPPWALZRSRAZ-IBGZPJMESA-N 452.584 2.484 30 10 JEEE N#Cc1cccc(N2CCN(C(=O)[C@@H]3CCCCN3S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)c1 1892400473 UZXFGWCOPSHNDM-QFIPXVFZSA-N 483.550 2.358 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](NCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)[C@H](S(C)(=O)=O)C1 2192661434 XOKCZJBLOWEPMF-RBUKOAKNSA-N 480.436 2.108 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@@]2(C(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)C1 2206614624 QZQHKHSWIZIBBK-WNSKOXEYSA-N 459.352 2.345 30 10 JEEE C[C@@H](C#N)CS(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)CC1 2215056632 PYFVOKLWGWDQMV-INIZCTEOSA-N 460.597 2.266 30 10 JEEE CC(C)(C)OC(=O)NCCCONS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2247985389 HACINVRQKWEWTJ-UHFFFAOYSA-N 462.399 2.172 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCOCCN1C(=O)OC(C)(C)C 2255615232 PYCILZBFZAHJHX-UHFFFAOYSA-N 453.370 2.375 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1COCCN(C(=O)c2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2255682719 LCRNAECKXHUHAP-AWEZNQCLSA-N 452.382 2.413 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N(C)CCNC(=O)OC(C)(C)C 2255747719 PWOWXJZLGQTFPW-UHFFFAOYSA-N 454.398 2.439 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1CNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2255955662 RKNYZIOUZPGIHE-HUUCEWRRSA-N 472.438 2.380 30 10 JEEE CC[C@@H](C)[C@H](C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)N(C)C(=O)OC(C)(C)C 2256599087 UKXGYEJJAMQLAI-CHWSQXEVSA-N 454.402 2.479 30 10 JEEE Cc1csc(CNC(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2256734224 TVEWYFDKEOHBKO-AWEZNQCLSA-N 454.398 2.248 30 10 JEEE CN(CC[S@@](C)(=O)=NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1)C(=O)OC(C)(C)C 2267259799 FDUVLSATSJFMRN-JGCGQSQUSA-N 467.397 2.486 30 10 JEEE CN(CC[S@@](C)(=O)=NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn1C)C(=O)OC(C)(C)C 2267259806 FGFSVYMYOMNOGD-JGCGQSQUSA-N 469.413 2.429 30 10 JEEE CC(C)[C@H](CCNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)NC(=O)OC(C)(C)C 2267492032 MOVHGYMITMMFPP-INIZCTEOSA-N 450.389 2.389 30 10 JEEE CC(C)(C)OC(=O)N[C@](C)(C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1)C(C)(C)O 2268654959 GIIFKOISIZTGGE-OAQYLSRUSA-N 469.413 2.113 30 10 JEEE CC(C)(C)OC(=O)N[C@]1(C(=O)Nc2ccc(F)cc2B2OC(C)(C)C(C)(C)O2)C[C@H](O)C1 2268707131 SSAUDUNFELRBTR-XLOAEROZSA-N 450.316 2.482 30 10 JEEE CN1CCN(C(=O)OC(C)(C)C)C[C@H]1CNC(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2281947270 NQLDOPOQSWYTBX-QGZVFWFLSA-N 459.396 2.267 30 10 JEEE Cc1nn(C)c(C(=O)N2C[C@@H]3CC[C@]3(NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2281988033 GTTVOKGJFZMBKU-WNSKOXEYSA-N 460.384 2.157 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](CO)[C@H](NC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)CC1 2282009184 OOIOUJKZAYXFOG-GDBMZVCRSA-N 481.424 2.180 30 10 JEEE C[C@H]1CN(C(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)C[C@@H](C)CN1C(=O)OC(C)(C)C 2282035519 WPVWKJGPAFFVOR-CVEARBPZSA-N 462.400 2.437 30 10 JEEE CCON(C(=O)c1cn(CC)c(B2OC(C)(C)C(C)(C)O2)n1)C1CN(C(=O)OC(C)(C)C)C1 2282044361 PHDBIQTVALYYOV-UHFFFAOYSA-N 464.372 2.215 30 10 JEEE Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O 2282115240 ORDDRLMWBAJVNX-QZTJIDSGSA-N 460.380 2.394 30 10 JEEE Cn1ncc(CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)c1NC(=O)OC(C)(C)C 2282179153 KOLALPSYWRFZNU-UHFFFAOYSA-N 457.340 2.391 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1 2282538828 LHRBJULTZLMBTJ-HSZRJFAPSA-N 462.400 2.486 30 10 JEEE Cn1cc(C(=O)N2C[C@@H]3CC[C@H](NC(=O)OC(C)(C)C)[C@H]3C2)nc1B1OC(C)(C)C(C)(C)O1 2282552005 NPPXXWJHJQQUQO-JYJNAYRXSA-N 460.384 2.095 30 10 JEEE Cn1cc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]3CC[C@H]23)nc1B1OC(C)(C)C(C)(C)O1 2282552655 LRUMVIUDQUUIMT-BFYDXBDKSA-N 460.384 2.237 30 10 JEEE Cn1ncc(C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C(F)(F)C2)c1B1OC(C)(C)C(C)(C)O1 2282556603 KKRCFYXCKOUWRL-AWEZNQCLSA-N 470.326 2.094 30 10 JEEE Cn1nc(C(=O)N2CCCC[C@H](CNC(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2282627810 JWZKGCLOHZJUES-MRXNPFEDSA-N 462.400 2.486 30 10 JEEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCCN(Cc2ccccc2)C(C)(C)C1 2282699525 JRJZTDBJSSUXJJ-UHFFFAOYSA-N 453.396 2.241 30 10 JEEE COc1ccc(NC(=O)[C@H](CN(C)C)NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2284042590 SUERIPLUDHSVJU-SFHVURJKSA-N 463.384 2.388 30 10 JEEE CC#CCNCC(=O)Nc1cc(I)cc(I)c1 2300596190 KMRUYCLBSOXPSG-UHFFFAOYSA-N 454.049 2.447 30 10 JEEE COc1cc(C=Nn2c(SCCO)nnc2[C@@H]2CC(=O)N(C(C)(C)C)C2)cc(OC)c1OC 2327902113 ZKMCROIVVRZDIG-OAHLLOKOSA-N 477.587 2.385 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(N2C[C@@H]3CN(C(=O)OC(C)(C)C)[C@@H](CO)[C@H]3C2)n1 2362167453 JKQZOKCTOXTGEQ-NEWSRXKRSA-N 459.396 2.353 30 10 JEEE Cc1nn(C(C)C)c(C)c1/C=N/Nc1nnc(SCC(=O)Nc2ccc3c(c2)OCO3)n1N 20911422 KWRWBAYMNUTXIA-GZIVZEMBSA-N 471.547 2.292 30 10 JEEE C=CCN1C(=O)N[C@H](c2ccc(Cl)cc2)C2=C1CN(CC(=O)NCCc1ccccn1)C2=O 35968869 FPYWGVCWLURTSP-JOCHJYFZSA-N 465.941 2.443 30 10 JEEE N#C/C(C(=O)c1ccccc1)=c1/s/c(=C/c2ccccn2)c(=O)n1Cc1ccc2c(c1)OCO2 96793353 CWCDUCDKFQTWRD-LZCSZACGSA-N 467.506 2.468 30 10 JEEE NS(=O)(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2ccncc2)cc1 170358919 HLSKHSFBWGGYBV-OAQYLSRUSA-N 493.497 2.283 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]1CN(C)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 215691323 MNEIHKPBKDAMTI-FUHWJXTLSA-N 489.426 2.116 30 10 JEEE NS(=O)(=O)c1ccc(NN=C2C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2c2ccccc2)cc1 254296489 GQPNGYAOSKNWRF-UHFFFAOYSA-N 464.463 2.461 30 10 JEEE COc1cc(NC(=O)C(=O)NCc2ccc(C#N)cc2F)c(C(=O)N2CCCC2)cc1OC 609256679 CLBKWBBORNMJTD-UHFFFAOYSA-N 454.458 2.205 30 10 JEEE Nn1c(NN=Cc2cc(Cl)cc(Cl)c2O)nnc1SCC(=O)NCc1ccco1 1084053463 PNWHOQLOPLGLSC-UHFFFAOYSA-N 456.315 2.452 30 10 JEEE C#C[C@H](NC(=O)Cc1cc(F)c(OC)c(S(N)(=O)=O)c1)c1ccc(Br)cc1 1159634395 KXTSRPRTGWNIFA-HNNXBMFYSA-N 455.305 2.277 30 10 JEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCNC(=O)[C@@H](C)CCC 1286363530 VALPWVOSNGLPNY-INIZCTEOSA-N 459.620 2.168 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2csc([C@H](C)OC)n2)CC1 1286473973 ZGMARVMFNRWKTR-FDDCHVKYSA-N 474.631 2.286 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCSCC=C)CC1 1286490276 JKSLFFMVYFEHMY-UHFFFAOYSA-N 477.594 2.479 30 10 JEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](O)(Cc2cccc(Cl)c2)C1 1286495609 AYYPZGZHSJOZDR-HRAATJIYSA-N 498.074 2.092 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1286781975 GMTMTGKSRYVTDZ-STQMWFEESA-N 479.404 2.319 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC[C@H](Nc2cc(OC)cc(OC)c2)C1 1286786387 DGIWQKGJSKWQKE-KRWDZBQOSA-N 478.557 2.135 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1286791719 AILGIBZBWJKNLN-HXUWFJFHSA-N 489.642 2.470 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@@H](C)[C@@H](F)C1 1286817365 MDJAESBXKGOVGC-PBHICJAKSA-N 469.970 2.257 30 10 JEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1286832920 QRXXBUKDTASFJE-MGPQQGTHSA-N 454.540 2.255 30 10 JEEE CNC(=O)CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)CN2CCOCC2)CC1 1299161888 BENKAYBFSACRHN-IBGZPJMESA-N 465.602 2.138 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OCCCC)c(OC)c3)n2C[C@H]2CCC(=O)N2)CC1 1300691412 XOWDOWHCQIZDIY-HXUWFJFHSA-N 466.586 2.166 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H]2NC(=O)CC2(C)C)CC1 1300707309 DKONEJGFJBHOII-LJQANCHMSA-N 456.978 2.180 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2ccc(Cl)cc2)CC1 1300710842 NMZIOKMGKOLSEZ-UHFFFAOYSA-N 468.989 2.376 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(CSC)c2)CC1 1300711374 ZHZZRANEVJKMQW-UHFFFAOYSA-N 480.638 2.391 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCCN(C)c2ccccc2)CC1 1300724680 BTZUGIKQCNMRBM-NRFANRHFSA-N 450.587 2.274 30 10 JEEE C#CCSCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1300740936 IEHWRJCMSWHPID-SJORKVTESA-N 458.563 2.480 30 10 JEEE C#CCSCCn1c(Cc2ccccc2F)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1300766024 PYBTZWSFNUTPNX-GOSISDBHSA-N 479.647 2.482 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccccc2COCC)CC1 1301087255 ZIWUYBPVZFYYDR-NRFANRHFSA-N 475.615 2.352 30 10 JEEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCO[C@@H](c2nccs2)C1 1301509711 MPOZWUQCPRXALG-GOSISDBHSA-N 454.556 2.236 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1301576677 XSFQMESPLVYBRR-WZONZLPQSA-N 476.599 2.329 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1301578185 TWFAUZXQAQJECJ-MOPGFXCFSA-N 450.536 2.069 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H]1c1nncn1C 1301596306 KVZHRODGXKSRGD-KZNAEPCWSA-N 477.635 2.268 30 10 JEEE C[C@H](CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(C#N)C1)N1CCCCC1 1303666863 FUINBOJKWUXNFK-VIZSFHNOSA-N 493.678 2.006 30 10 JEEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCC([C@@H]2CCCO2)CC1 1314558016 HQEZJIIUSNVDSR-FQEVSTJZSA-N 458.588 2.151 30 10 JEEE CO[C@H](C)c1nc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(OCC(N)=O)CC2)cs1 1315149320 BMIVBIPKDNSGPR-OAHLLOKOSA-N 481.582 2.500 30 10 JEEE CS[C@H]1CCCCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCS(=O)(=O)CC2)C1 1316421588 DCZHWDWQPLFPOF-IBGZPJMESA-N 475.640 2.478 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1nnc2n1CCCCC2 1358876819 QTGCWPZWXNJIHZ-QGZVFWFLSA-N 482.614 2.020 30 10 JEEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1Cc1cccc(N2CCOCC2)n1 1358897126 TXSUGYFXIFFNRW-KRWDZBQOSA-N 465.583 2.007 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1358956984 NSUACTNTWGVDBL-XLIONFOSSA-N 486.573 2.389 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1CCOCC)[C@H]1CCS(=O)(=O)C1 1358959702 NZJLFTMUSJYQDN-INIZCTEOSA-N 452.964 2.270 30 10 JEEE C#CCN(c1nnc(CCCc2ccccc2)n1C[C@@](C)(O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1358965805 BKFDHWPEJNKSSM-ZJSXRUAMSA-N 458.628 2.487 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1cccnc1-n1cccn1 1358971565 ACLUSCAQMWTZCP-UHFFFAOYSA-N 471.546 2.050 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCCO2)n1CC1(N2CCOCC2)CC(OCC)C1 1358993012 CNTGFVABVBKJDC-YGWFNULRSA-N 455.603 2.253 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(COc4ccccc4)o3)n2CCC(=O)N(C)C)CC1 1359032673 YIQCKHNHPFDDAT-UHFFFAOYSA-N 462.554 2.351 30 10 JEEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 1359208044 DLKHUHOKGOFGHW-DYVFJYSZSA-N 453.531 2.384 30 10 JEEE C=CCN(CCOC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H]1CCS(=O)(=O)C1 1359278278 OUGMEXKRBSSSKC-GOSISDBHSA-N 461.588 2.221 30 10 JEEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)NCc2ccc(C)c(F)c2)CC1 1359283535 ZBQWYRMJSJCNBQ-MRXNPFEDSA-N 478.594 2.055 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1359293978 GVUIYZNDXQJIGN-UHFFFAOYSA-N 456.547 2.313 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CCC(=O)NC(C)(C)C 1360229843 DAKKELVQLGPZFB-UHFFFAOYSA-N 480.617 2.309 30 10 JEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCCCN(CC(=O)OC(C)(C)C)C1=O 1471360680 ZRGDQVVKVOYIOQ-IRXDYDNUSA-N 451.564 2.132 30 10 JEEE C#CCCCS(=O)(=O)N(C)Cc1cccc(Br)c1OCCS(C)(=O)=O 1475205105 NFRYNPIDGAVZJX-UHFFFAOYSA-N 452.392 2.048 30 10 JEEE C#CCN(c1nnc(-c2cc(-c3ccccc3)on2)n1CCCC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1507631274 NGNLIHBUCGDPJL-IBGZPJMESA-N 496.593 2.095 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1CCc1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1507633459 DYHJQTLBOWFLBG-HXUWFJFHSA-N 483.594 2.352 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccn2C)n1CC1(N2CCOCC2)CC(OCC)C1 1507666980 MGIYJSSWFBHFPK-UHFFFAOYSA-N 450.587 2.016 30 10 JEEE C#CCN(CC#CC)c1nnc(Cc2ccccn2)n1Cc1cccc(OCC(=O)N(C)C)c1 1507670948 WVPRMISUJNSEOC-UHFFFAOYSA-N 456.550 2.242 30 10 JEEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2Cc2ccc(NC(C)=O)nc2)CC1 1507727851 MYTSHDHDCGNQKY-UHFFFAOYSA-N 473.581 2.229 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@](O)(c2ccccc2)C(F)(F)F)CC1 1507732487 HKKXRGUHARMFKW-LEDOBFOHSA-N 493.530 2.207 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCCC1(F)F 1508040552 ZFJTVTHBJSQCJO-IRXDYDNUSA-N 477.578 2.075 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCCN(c2ncccc2F)CC1 1508084374 NJAMNSUMYFCCET-UHFFFAOYSA-N 455.563 2.483 30 10 JEEE C=CCNC(=O)Cn1c(N2CC(C)(C)OC[C@@H]2C)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1508099132 VALYSULXVDFLLL-YESZJQIVSA-N 462.595 2.355 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1508136078 RLTGCCVXPXYCJQ-QHCPKHFHSA-N 476.599 2.329 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCc2ccccc2CC1 1508146713 BKZBLVPZTPQXRB-SFTDATJTSA-N 460.600 2.208 30 10 JEEE CCC[C@@](C)(O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(C#N)CC1 1514253967 FWPQSHGBDGXGMB-JOCHJYFZSA-N 460.604 2.486 30 10 JEEE CCC[C@@H](C)C(=O)NCCn1c(-c2cccnc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1514275114 ACIDBCREHSXMIJ-GOSISDBHSA-N 490.616 2.133 30 10 JEEE C#Cc1cccc(NC(=O)CNC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)c1 1526133878 QIIBZVGEXZIYBE-OAHLLOKOSA-N 451.957 2.291 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ccc(OC)nc1OC 1539014231 QBTRZRSDGXFLFP-KRWDZBQOSA-N 462.558 2.371 30 10 JEEE C=CCn1c(SCC(=O)N2CC[C@H](CS(N)(=O)=O)C2)nnc1-c1ccc(Cl)cc1 1539107958 ACNAYRGDVVEENU-ZDUSSCGKSA-N 455.993 2.014 30 10 JEEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1539120005 PYJPBUNOEUGFEB-OYRHEFFESA-N 466.634 2.411 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCc1nnc(C)s1 1539242649 ZKNGSZWXJVLAHX-UHFFFAOYSA-N 452.540 2.446 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCN(CC)CC 1539268448 RCQHMVZTHPGFGY-FQEVSTJZSA-N 458.607 2.391 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1sccc1Br 1539415752 GNONKERTSMVOGJ-CYBMUJFWSA-N 473.418 2.139 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[C@H](C)c2ccccc2)CC1 1539481224 ISCHVCXICQXMJH-SIKLNZKXSA-N 483.638 2.340 30 10 JEEE C#CCSCCn1c(N2CCCN(Cc3cnn(C)c3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1539530577 JGETVNZGVUXSEI-XMMPIXPASA-N 487.674 2.131 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1539637472 QVSXFGDYMVRSTI-AYBZRNKSSA-N 451.618 2.238 30 10 JEEE C=CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCC[C@@H]1NC(=O)NC1=O)C1CC1 1540094151 GRDMVJYPCFRRAP-SFHVURJKSA-N 451.531 2.290 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1540864468 AVBPFUZUBVJTJE-UHFFFAOYSA-N 488.036 2.281 30 10 JEEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CCC2(CCN(C)C2=O)CC1 1540873631 FADFIGIUEGKKTO-UHFFFAOYSA-N 450.587 2.204 30 10 JEEE C=CCNC(=O)Cn1c(N2CCN(c3ccccc3F)CC2)nnc1[C@]1(OC(C)C)CCOC1 1540876059 GIONRQBPDHVCQN-DEOSSOPVSA-N 472.565 2.087 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccc(CN(C)CC)c2)C1 1540892482 MCGVLFITTTYZNZ-FCHUYYIVSA-N 473.643 2.462 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCCN(C(=O)C(C)C)CC1 1540900552 ZJPGPYNBUWUISO-UHFFFAOYSA-N 470.599 2.112 30 10 JEEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)Cc2cccc(F)c2)CC1 1587759369 SVWSOCITEDZIBP-NRFANRHFSA-N 466.561 2.453 30 10 JEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)CC1COC(C)(C)OC1 1587823403 POENPBRGWIKQPK-UHFFFAOYSA-N 475.615 2.444 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CC=CCO1)[C@@H]1CCS(=O)(=O)C1 1588073963 GNQYIFSPXPQBEY-IYWMVGAKSA-N 462.616 2.169 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(Br)s2)n1CCCn1cc(CO)nn1 1588105161 NSFDAPBZJKFMLX-UHFFFAOYSA-N 460.361 2.016 30 10 JEEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1CCO[C@H](C)C1 1588646347 IXYFTFAFJCMZFQ-WOJBJXKFSA-N 453.591 2.353 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](F)c2ccc(Br)cc2)CC1 1588806345 NVEOHEJGCIHXMS-ROUUACIJSA-N 475.366 2.458 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCCCS1(=O)=O 1595100678 SAGMOJAOKGHLHE-NRFANRHFSA-N 482.610 2.432 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1-n1ccnc1 1595303633 WRBAGWGJXBARIL-LJQANCHMSA-N 456.572 2.053 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCC(=O)N(C)C 1595307584 DPVYWCDFFUCPEE-KRWDZBQOSA-N 450.584 2.467 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN2CCCC[C@@H]2C1 1595516238 BYXFCSFTRZSNOY-LJQANCHMSA-N 454.575 2.329 30 10 JEEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC(OC2CCC(C)CC2)CC1 1595569897 QGXVIEHWYCUXOE-UHFFFAOYSA-N 458.607 2.267 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N(C)C1Cc2ccccc2C1 1595761187 YOXUSSOVTKJSDC-UHFFFAOYSA-N 466.567 2.130 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1595773389 ZSFKDBRNXBLLRZ-QGZVFWFLSA-N 479.006 2.186 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1595776795 FUKFNGHQWUXLKE-HXUWFJFHSA-N 486.642 2.437 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](c2cccc(C)c2)C1 1595796984 CYYFLQBOWAJTEO-VQTJNVASSA-N 478.640 2.083 30 10 JEEE C#C[C@H](NC(=O)[C@@H](NS(=O)(=O)c1cccs1)[C@H](C)O)c1ccc(Br)cc1 1625078056 OWEPYAOXSALNQT-PJODQICGSA-N 457.371 2.029 30 10 JEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2C[C@@H](C(=O)OC)[C@H](c3ccc(Cl)cc3)C2)cc1 1640410011 HPBKUGKUFGZKSA-VQTJNVASSA-N 460.939 2.280 30 10 JEEE C#CCN(CC(=O)Nc1sc2c(c1C(=O)OCC)CC[C@H](C)C2)[C@H]1CCS(=O)(=O)C1 1657713299 ALGHYPWBNBYUAY-GJZGRUSLSA-N 452.598 2.110 30 10 JEEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1689924603 MROJWVSWBLIDCJ-KRWDZBQOSA-N 473.603 2.367 30 10 JEEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1689932206 UMQWTAQINLOZSL-MOPGFXCFSA-N 495.646 2.403 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1689983380 AJLVYKRZRYUXGA-SLFFLAALSA-N 489.642 2.361 30 10 JEEE C#CCN(c1nnc(CC2CCCC2)n1CCc1cccc(C(=O)NC)c1)[C@H]1CCS(=O)(=O)C1 1689993324 AXHGUHTVDMTRHB-QFIPXVFZSA-N 483.638 2.240 30 10 JEEE C#CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H](C)SC)[C@H]1CCS(=O)(=O)C1 1689998843 YMXMFECOCGHLFG-FJIDUMEYSA-N 497.687 2.427 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cn(C)c3ccccc23)n1C[C@H]1CC(=O)N(CCOC)C1 1690043241 UVFKAQDAYAOTNV-FQEVSTJZSA-N 458.566 2.395 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@](C)(O)C2CCCCC2)CC1 1690138166 UIIYSZPPNVMVKS-FTJBHMTQSA-N 487.645 2.227 30 10 JEEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1690163612 LIYDYNBTBMGAJN-MRXNPFEDSA-N 464.477 2.055 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCNC(=O)c1cc[nH]n1 1690195362 JQOKASSNDZZDAU-XMMPIXPASA-N 479.541 2.116 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@](O)(c2ccc(F)cc2)C1 1690227519 AVKIUNXLPZVSKS-KXBFYZLASA-N 450.312 2.375 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCCOC2)n1CCC(=O)N1CCOCC1 1690560540 WDUYXRZLKKKDBT-JOCHJYFZSA-N 464.570 2.485 30 10 JEEE C=CCN(Cc1cccs1)c1nnc(C(=O)Nc2ccccn2)n1CCN1CCCS1(=O)=O 1690573934 IRIRBVQWKIKZQM-UHFFFAOYSA-N 487.611 2.215 30 10 JEEE CC(C)N(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1692473759 DLBJMPNFXGBHCU-HSZRJFAPSA-N 467.618 2.370 30 10 JEEE CCN(CC)C(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)OC[C@H]2C1 1695587050 CPYNFVORYUJJRG-LJQANCHMSA-N 451.531 2.106 30 10 JEEE CCS[C@@H]1CCCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1696548508 DNOONDRJQYEDOL-KNQAVFIVSA-N 475.640 2.478 30 10 JEEE CN(C)C(=O)CCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1696580490 AKCLOEOTTIXYMC-UHFFFAOYSA-N 481.992 2.399 30 10 JEEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1-n1nc(C)cc1C 1705604941 XCQXBQMCMPZEDU-GOSISDBHSA-N 455.588 2.199 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2CCCN2C[C@H](C)O[C@H](C)C2)CC1 1705647424 DPDZRSPOVZBMPP-BGYRXZFFSA-N 456.635 2.401 30 10 JEEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1705728993 HKCXKCBUBXXNGM-UHFFFAOYSA-N 455.538 2.346 30 10 JEEE C=C(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](n2cncn2)C1)c1ccccc1 1705741178 IDWJYYNFWQPBMV-MJGOQNOKSA-N 456.576 2.035 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2ccccn2)n1CCN1CCN(C(C)=O)CC1 1705860869 PQVRNQFXTKAKSI-UHFFFAOYSA-N 484.608 2.492 30 10 JEEE C=CCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1705887827 IDAPYKLHKXZMTB-UHFFFAOYSA-N 461.979 2.337 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cn2ccc3ccccc32)nnc1N1CCC[C@@H](CNC(C)=O)C1 1705938115 NFPIKYXOVZVNSQ-FQEVSTJZSA-N 484.626 2.234 30 10 JEEE CCOc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCc2cnn(C)c2)cc1OC 1710519936 FGVDHRUYQPYVQO-IBGZPJMESA-N 451.531 2.447 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CC1(CCOC)CCC1)[C@@H]1CCS(=O)(=O)C1 1722366979 JYUULUHVBKSKFW-RBUKOAKNSA-N 450.605 2.006 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCCN1CCCCC1=O)[C@H]1CCS(=O)(=O)C1 1722367712 XIAJTYCRFPKPOU-NRFANRHFSA-N 487.601 2.037 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H](C)CN1CCCCC1 1722380494 NXKKOPDOKRXBSX-FQEVSTJZSA-N 457.582 2.387 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(C(N)=O)cc1 1722398286 ZFRUYMWCRVJEFG-NRFANRHFSA-N 492.580 2.197 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@@]2(O)CCO[C@H]2C)CC1 1722433997 JVHRDEYNPPCITA-LIRRHRJNSA-N 466.405 2.064 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@H]2CCSC2)CC1 1722436765 FGHJIONPKFJWLG-OALUTQOASA-N 476.647 2.095 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CCCCNC(=O)OC(C)(C)C)CC1 1722439938 VQMRKXVKNNXYPD-UHFFFAOYSA-N 453.591 2.324 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(N(C)C)nc2)CC1 1722443905 PMNMCZOWNDSIQS-UHFFFAOYSA-N 468.565 2.292 30 10 JEEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1722481447 ZIZDWTRDRYYWBC-GOEBONIOSA-N 455.357 2.222 30 10 JEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1722608539 GWVLWFXQUGZMPP-HOTGVXAUSA-N 456.613 2.300 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(C)=O)C[C@@H]1C)C(C)C 1722664486 AMQWMCTWBAIBKI-UGKGYDQZSA-N 454.623 2.434 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)OCCOC)nnc1N1CC(C)(C)O[C@@]2(C[C@@H]3CC[C@H]2C3)C1 1722689771 ZIZNLKLSXMRQMU-YDLHNXBPSA-N 461.607 2.478 30 10 JEEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1722700983 BKKZSEABDORALK-FQEVSTJZSA-N 464.574 2.252 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(c2cccc(OC)c2)CC1 1722729188 XUVOBZPLFBXDLF-IBGZPJMESA-N 475.615 2.108 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Br)s2)nnc1N1CC[C@@](C)(C(N)=O)C1 1722751758 UEMZNYZGXAEXAZ-QGZVFWFLSA-N 488.433 2.072 30 10 JEEE COCCN(CCC#N)c1nnc([C@H]2CCCCO2)n1C[C@@]1(N2CCOCC2)CCSC1 1730762153 ATTNNEHWYXLCCV-KNQAVFIVSA-N 464.636 2.094 30 10 JEEE CS(=O)(=O)Cc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CCC(CC#N)CC2)cc1 1730999686 CPIULUCGZBMABK-UHFFFAOYSA-N 470.599 2.123 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CCc1ccc(S(N)(=O)=O)cc1 1740536567 JJDILOHNWNPZFZ-ZDUSSCGKSA-N 477.388 2.384 30 10 JEEE C#CCCCn1c(N2CCN(Cc3c(C)nn(C)c3C)CC2)nnc1[C@]1(OC(C)C)CCOC1 1740597518 UYIPLQFNZBWOLH-VWLOTQADSA-N 469.634 2.405 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H]1CCCO[C@H]1C(C)C)[C@@H]1CCS(=O)(=O)C1 1740621750 OSLYQHJYHSABLY-ZVDOUQERSA-N 459.616 2.362 30 10 JEEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1cccc(SCC)c1)[C@H]1CCS(=O)(=O)C1 1740624667 KNOFMVHYHSJZSZ-IBGZPJMESA-N 487.651 2.188 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1Cc1cnn(CC)c1)[C@H]1CCS(=O)(=O)C1 1740627059 DPOFBGGMOUMVKF-NRFANRHFSA-N 482.610 2.365 30 10 JEEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc(OC)c(Br)c1 1740662488 STRYKSMTPOFPEL-AWEZNQCLSA-N 484.420 2.362 30 10 JEEE C#CCSCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(CC(=O)NCC)CC1 1740719655 PNHPDKLAAYLLPL-UHFFFAOYSA-N 461.035 2.147 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccc2OC)nnc1N1CCC(OCC(N)=O)CC1 1740756500 HWBKZNOFCBDGHH-HTAPYJJXSA-N 455.559 2.406 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)NCC1CC1 1740921088 KUIWSOQVGGMJOF-GOSISDBHSA-N 461.563 2.038 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCSC(C)(C)C1 1740952174 WQOHHLCYTDDQFQ-UHFFFAOYSA-N 463.007 2.496 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(OC)cc2F)C1 1740980971 NFHBYZXDKHGBKZ-WMZOPIPTSA-N 450.536 2.158 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCC(C)(C)C2CC2)C1 1740982206 SBNUHWJRVGSOFX-RBUKOAKNSA-N 467.636 2.219 30 10 JEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 1741002378 HYPLNVFDNHPDOO-BRWVUGGUSA-N 485.676 2.449 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCN1C[C@@H](C)C[C@H](C)C1 1748836083 PGJOUMYZCYVWLQ-SFTDATJTSA-N 457.586 2.362 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCC1(O)CCC1 1748892396 OHNWAVYERUVFDN-LJQANCHMSA-N 457.575 2.355 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 1748948656 UEBYEWJCGYEYTG-SFHVURJKSA-N 474.606 2.292 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2OC)n1Cc1ccc(C(N)=O)nc1 1748956575 HNYFZXJHDXFKKB-UHFFFAOYSA-N 454.918 2.235 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2c(CC)noc2C)CC1 1748979447 ABXKQCNQAMYJNS-UHFFFAOYSA-N 468.583 2.011 30 10 JEEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1749213265 IHHTYDIIALTQNU-OAHLLOKOSA-N 464.368 2.184 30 10 JEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)c2ccsc2)CC1 1749234549 HJKOZRNJIKGNHV-UHFFFAOYSA-N 458.588 2.017 30 10 JEEE COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCO[C@H]2C(C)C)CC1 1749245246 DFFVLGJVIXZYPZ-IRLDBZIGSA-N 452.559 2.173 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2csc(CC)n2)CC1 1749268808 HMLYIBQQXMFNNW-OAHLLOKOSA-N 471.052 2.274 30 10 JEEE C=CCC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(=O)NC(C)C)CC1 1749372987 CRDJJQWLXJBMEQ-UHFFFAOYSA-N 456.639 2.389 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(C)c(OC)c1)C1CC1 1749519669 PANNHRGCLKFCNT-NRFANRHFSA-N 475.615 2.326 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1CCN(CC(F)(F)F)CC1 1749600423 YBUQWDXJAHYVFT-QGZVFWFLSA-N 479.569 2.093 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC2(CC1)CNC(=O)C2 1749658301 JFQUFMZDUFGFTF-UHFFFAOYSA-N 487.402 2.425 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@@H](CN(CC)CC)C1 1749668806 FIPUVZLZDAOQMJ-RXVVDRJESA-N 454.575 2.261 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc3cccnc23)nnc1N1CCC[C@@H](C(=O)OC)C1 1749727659 ZRZWVQAKZNSBPE-GOSISDBHSA-N 469.567 2.484 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CCC[C@H](C(=O)NC)C1 1749730064 YMWMNNBVBQWISH-HNNXBMFYSA-N 451.980 2.162 30 10 JEEE COCCN(CCC#N)c1nnc([C@@H]2CCOC2)n1Cc1cc(F)ccc1N1CCOCC1 1749829876 AAMUQLUUBHGBJJ-GOSISDBHSA-N 458.538 2.172 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1750060352 GPGZIFBQXCYPJS-SXGZJXTBSA-N 467.979 2.217 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2CC[C@@H]2COCCO2)c1 1760128064 WYQXINWADKZDTB-JOCHJYFZSA-N 460.538 2.126 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccc(C)cc1N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1760181839 CDLKULOKHSYTPG-OAQYLSRUSA-N 485.654 2.396 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1cccc(CN2CCO[C@H](C)C2)c1)[C@@H]1CCS(=O)(=O)C1 1760183534 QWWURJRWJYVPBQ-NFBKMPQASA-N 499.681 2.471 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(OC)ccc2Br)n1CCn1cncn1 1760213032 MYPJOWVFYLKNMT-UHFFFAOYSA-N 454.332 2.471 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(C)C)n1C[C@@H](C)CN1CCOCC1 1760240440 QWROTGQPLBOFGI-IBGZPJMESA-N 456.566 2.164 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(NC(=O)NC(C)C)cc2)CC1 1760263554 GLADFGOKFCFJBJ-GMAHTHKFSA-N 495.628 2.336 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2CCOc2ccc(S(C)(=O)=O)cc2)CC1 1760270444 XRKSMLPCDCXQRE-UHFFFAOYSA-N 499.637 2.384 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCC(=O)Nc2ccccc2)CC1 1760270997 HWSWFEVHKLMHPK-UHFFFAOYSA-N 488.596 2.134 30 10 JEEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1760276188 WMCCWZFAOFPWEV-MRXNPFEDSA-N 474.530 2.483 30 10 JEEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1760285772 QOXZQNFWSANKBX-JOCHJYFZSA-N 466.611 2.396 30 10 JEEE C=C(C)COCCn1c(-c2ccccc2F)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1760354697 KERYELJSMDNBRS-SFHVURJKSA-N 456.566 2.466 30 10 JEEE C=CCCOCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1760446318 NVLXDOGBAGNQBR-UHFFFAOYSA-N 493.616 2.171 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N1CCN(CC)CC1 1760487025 HMQBXWHJZCUDFU-WOJBJXKFSA-N 492.715 2.460 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2C[C@@](C)(O)[C@@H](C)CC)C1 1760537362 MKOMFZYINWZBLL-XTQVGHSUSA-N 452.563 2.499 30 10 JEEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(F)cc1 1760565874 GQTHWCFEYNXUDL-GOSISDBHSA-N 469.608 2.306 30 10 JEEE COc1ccc(-n2cc(/C=N\NC(N)=S)c(-c3ccc(S(C)(=O)=O)cc3)n2)cc1OC 1857807671 VGBBQYXERKOVQV-JJFYIABZSA-N 459.553 2.127 30 10 JEEE O=C(C1=C(O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccc([N+](=O)[O-])cc1)c1cccc(O)c1 1862593359 HDCFTPQXKMFXTC-FQEVSTJZSA-N 453.451 2.211 30 10 JEEE C=CCOc1ccccc1[C@H]1C(C(=O)NCCCNC=O)=C(N)Oc2c1c(C)nn2CCC 1864319133 NNHXLUQDOURXJQ-HXUWFJFHSA-N 453.543 2.113 30 10 JEEE Cc1ccc([C@@H](C#N)NC(=O)CNC(=O)c2ccc3c(c2)C(=O)N(Cc2ccccn2)C3=O)cc1 1867466066 AGFIHILXIVQRFB-JOCHJYFZSA-N 467.485 2.297 30 10 JEEE NC(=O)CSc1nnc([C@@H]2CC(=O)N(Cc3ccccc3)C2)n1/N=C/c1cccc(F)c1 1874209321 BCTIWCVDYUOATJ-LHSRNITLSA-N 452.515 2.393 30 10 JEEE Cc1nn([C@@H](C)CC(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)c(C)c1Cl 1889350552 STQIEBHDCCXEBN-SFHVURJKSA-N 450.027 2.363 30 10 JEEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)OC3CN(C(=O)OC(C)(C)C)C3)CC2)CC1 1891362119 XJVDYZYTDWBATG-UHFFFAOYSA-N 478.634 2.253 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N[C@@]1(CO)CCCN(C(=O)OC(C)(C)C)C1 2060136136 WFJQUVGZMNHXDF-ZHRRBRCNSA-N 454.568 2.452 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2COCC[C@@]2(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C1 2124620601 JCULQAQBYIDMRE-DNRQZRRGSA-N 454.571 2.497 30 10 JEEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)c1nn(C)cc1Br 2178413968 HQPNGDKZCPXVQL-UHFFFAOYSA-N 461.382 2.206 30 10 JEEE CC(C)(C)OC(=O)N[C@@]1(C(=O)NCCc2cccc(B3OC(C)(C)C(C)(C)O3)c2)CCOC1 2180971540 ATRIMOJEVXQYQH-DEOSSOPVSA-N 460.380 2.328 30 10 JEEE CN(CCOCc1ccccc1)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2247951232 IGKOAEKKXQIYRZ-UHFFFAOYSA-N 452.407 2.421 30 10 JEEE Cc1c(C(=O)N(C)CCN(C)C(=O)OCc2ccccc2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2255539854 FPFCSVLFDRGGAE-UHFFFAOYSA-N 470.379 2.368 30 10 JEEE COCC[C@H](CNC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2255635474 HLJGVKVBAXKNNC-CYBMUJFWSA-N 455.386 2.102 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](CO)[C@H](NC(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2266993686 KUIAEASNKOAVLF-RHSMWYFYSA-N 466.409 2.395 30 10 JEEE CC(C)(C)OC(=O)NCC[S@@](C)(=O)=NS(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2267376170 ROQIZSUCGFNWAL-WJOKGBTCSA-N 488.437 2.297 30 10 JEEE CN(C[C@H](O)COCc1ccccc1)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2267377685 KEDCIPMRMKNHGZ-FQEVSTJZSA-N 461.389 2.184 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H]1NS(=O)(=O)c1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2267469174 RHHIWOBDPGKRDJ-HOTGVXAUSA-N 470.372 2.459 30 10 JEEE C[C@@H]1CCN(C(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)[C@H](C)[C@H]1NC(=O)C(F)(F)F 2267484550 GYXSXHBSIREQPC-UTUOFQBUSA-N 461.315 2.360 30 10 JEEE COC(=O)[C@H](CC(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)s1)NC(=O)OC(C)(C)C 2268670189 SUVHUUQDIDPPDV-AWEZNQCLSA-N 468.381 2.120 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](C(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)cs1)C1(O)CCC1 2268721090 GUYXWTUZFMQQSR-INIZCTEOSA-N 466.409 2.472 30 10 JEEE C[C@H](CNC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 2282014848 JBCRZOSCUGQEJY-JLCFBVMHSA-N 481.424 2.180 30 10 JEEE CC(C)[C@H]1[C@H](NC(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)CCN1C(=O)OC(C)(C)C 2282040992 QMBBIMNGPWDFDR-WBVHZDCISA-N 462.400 2.483 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 2282133677 GUXTVYGAMKFTSU-INIZCTEOSA-N 462.400 2.486 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2[C@H]1NC(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2282175033 IUUOZLZQZLNBAI-RDGPPVDQSA-N 458.364 2.396 30 10 JEEE CCn1cc(C(=O)N=[S@](C)(=O)C[C@@H](C)NC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2282535892 VELQWOOBNHLPQW-LHRCYKKBSA-N 484.428 2.353 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC1(C)CCN(C(=O)OC(C)(C)C)CC1 2282538872 LZNPERAKCDRJIO-UHFFFAOYSA-N 462.400 2.486 30 10 JEEE Cn1cc(C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)CC23CC3)nc1B1OC(C)(C)C(C)(C)O1 2282545044 PRQCRVYPWCTIAJ-HNNXBMFYSA-N 460.384 2.381 30 10 JEEE Cn1cc(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 2282553965 WTSWSUJYVVZUDW-ABFRBSLYSA-N 460.384 2.141 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@](CO)(NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2Cl)C1 2282601664 HXHPMZOSOLQRAU-JOCHJYFZSA-N 481.786 2.136 30 10 JEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N(Cc1ccccc1)[C@H]1COC(C)(C)C1 2282857759 MMBBYFGRIUHOKS-GOSISDBHSA-N 475.420 2.478 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@H]1CN(C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)C2 2283063656 XAMDMBLBNLWBIK-OWCLPIDISA-N 458.368 2.151 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(C(=O)Nc3cccc(B4OC(C)(C)C(C)(C)O4)n3)CO[C@H]1C2 2284132772 JSPBEZZSSMGNJF-USGALAMMSA-N 459.352 2.392 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N1CC[C@H](NC(=O)C(F)(F)F)[C@@H](C)C1 2285206623 PSELGRBCGNKKFJ-ZFWWWQNUSA-N 455.286 2.218 30 10 JEEE COC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1N=Cc1cccc(OC)c1OC 2329035052 GZZQLCYUFCSIJL-OAHLLOKOSA-N 461.544 2.167 30 10 JEEE C[C@H](CCN(C)C(=O)OC(C)(C)C)N(C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2337303104 CZNZMEOLUXBSAL-OAHLLOKOSA-N 450.389 2.437 30 10 JEEE CN(C)c1ccc(/N=C2\S[C@H]3[C@H]([C@@H](O)[C@H](O)C[C@@H]3C(N)=O)N2Cc2ccc(F)cc2)cc1 8253621 PEEYVEOLLPKCQY-YDJBGMTKSA-N 458.559 2.092 30 10 JEEE C=CCN1CCN(c2nc3cc(C(=O)OC)ccc3c(=O)n2-c2ccc(OC)c(OC)c2)CC1 33300555 FMYGXKQGVZBPPK-UHFFFAOYSA-N 464.522 2.498 30 10 JEEE N#C[C@H]1C(=O)Nc2nc(N3CCC4(CC3)OCCO4)[nH]c(=O)c2[C@H]1c1cccc2ccccc12 72444430 BXCXTLHAZRQDGP-MOPGFXCFSA-N 457.490 2.490 30 10 JEEE CCOC(=O)C1CCN(C2=NC(O)=C3C(=NC(=O)[C@H](C#N)[C@H]3c3c[nH]c4ccccc34)N2)CC1 72444736 OMUTXLUWEBEFIY-QAPCUYQASA-N 460.494 2.334 30 10 JEEE NC(=O)c1ccccc1OCC#CCNC(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 90743712 XVWDFTDJODHCOP-HNNXBMFYSA-N 470.323 2.100 30 10 JEEE N#Cc1nccnc1O[C@@H]1CCCN(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)C1 238855310 JWHREOGOFCYTAP-GOSISDBHSA-N 455.540 2.206 30 10 JEEE C#Cc1cccc(N/C(S)=C(/C(O)=c2cc3c(cc2F)=NC(=O)CC3)[n+]2cccc(O)c2)c1 726573284 VSPPRLOCJKDCIU-UHFFFAOYSA-O 460.510 2.427 30 10 JEEE C=CCn1c(=C(C#N)C(=O)N[C@H](C)c2ccccc2)sc(=Cc2cnn3ccccc23)c1=O 729671805 YKAKZQCDCRXNEL-QGZVFWFLSA-N 455.543 2.124 30 10 JEEE CCOc1cccc(NC(=O)CSc2nnc(NN=Cc3ccc(C(=O)OC)cc3)n2N)c1 1083893696 QHFRGNHPQQJNJT-UHFFFAOYSA-N 469.527 2.354 30 10 JEEE C=CCn1cc(C=NNc2nc(SCCC(=O)NCc3ccc4c(c3)OCO4)n[nH]2)cn1 1084082070 CDTNSYOZKZUUCE-UHFFFAOYSA-N 454.516 2.161 30 10 JEEE CCNC(=O)COc1cccc(CNC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)c1 1126715844 AGZJMJAVWFEDTM-KRWDZBQOSA-N 454.914 2.396 30 10 JEEE C#CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(C(C)=O)C[C@H]1C 1286337435 HVRPCFAYKJLKOA-MRXNPFEDSA-N 457.604 2.017 30 10 JEEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1cccc(N2CCOCC2)n1 1286358403 FLTKITFFEVGACO-UHFFFAOYSA-N 479.972 2.211 30 10 JEEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1(S(C)(=O)=O)CCCC1 1286369225 HWMKJHUFRXTREX-UHFFFAOYSA-N 468.583 2.102 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1Cc1cccc(NC(=O)[C@H]2CCCO2)c1)[C@H]1CCS(=O)(=O)C1 1286391344 CQKQJNVTGZDXQA-FCHUYYIVSA-N 499.637 2.269 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H](C)Oc1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 1286393117 KDDFGEKCVQQJIO-AQNXPRMDSA-N 488.610 2.275 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3c[nH]c4ccccc34)n2C[C@@](C)(O)CCOC)CC1 1286489848 CZPSXMLWRQDILW-VWLOTQADSA-N 464.570 2.180 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCOC)[C@H]1CC[C@@H](C)C1 1286628684 FBPLTTLBGGPENW-PVAVHDDUSA-N 462.016 2.005 30 10 JEEE C=C(Cl)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCO[C@H](COC)C1 1286631285 GULCZDHMNRXLBW-NRFANRHFSA-N 461.010 2.247 30 10 JEEE C=CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1286687020 LVSIDYGTLYREMU-GOSISDBHSA-N 464.592 2.168 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C2CCC2)CC1 1286793958 QRSHCLADUICXLF-IBGZPJMESA-N 473.622 2.327 30 10 JEEE CCN(CC)C(=O)CN1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCn2ccnc2C)CC1 1295326915 GKVPYTYMUUSKJL-UHFFFAOYSA-N 489.628 2.402 30 10 JEEE CCN(C[C@H]1CCCO1)c1nnc(COc2ccc(C#N)cc2)n1Cc1ccc(C(N)=O)nc1 1295746649 BNIAMHKQSZBKEH-HXUWFJFHSA-N 461.526 2.276 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@](C)(OC)C2CC2)c1 1300333225 YTOGAQFJKROMJV-CYFREDJKSA-N 450.543 2.101 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1ccc(COC)o1 1300409935 LFJUPNZOBJHBNW-AZUAARDMSA-N 477.587 2.105 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CC[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1300482457 GCECSAQOPNXFFQ-ZBFHGGJFSA-N 482.404 2.089 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCCNC(C)=O)[C@H]1CCS(=O)(=O)C1 1300482781 HBEPWNKHPTZUPY-LPHOPBHVSA-N 494.017 2.224 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1ccc(OC(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 1300496136 ONOHPOUPYCLBQS-ZWKOTPCHSA-N 480.537 2.449 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccccc2F)n1Cc1cccnc1N1CCOCC1 1300665920 SPVCIGDUMTXIRG-UHFFFAOYSA-N 450.518 2.450 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H](NC(=O)OC(C)(C)C)C(C)C)CC1 1300686164 YAOPOPPMEKLSMB-CJFMBICVSA-N 490.649 2.235 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H]2CCCSC2)CC1 1300710596 IALHWXLTNCEFOO-KRWDZBQOSA-N 460.648 2.306 30 10 JEEE C#CCSCCn1c(CC2CC2)nnc1N1CCC(CC(=O)N2CCN(CC)CC2)CC1 1300767636 CIDJRHHOAUZZAQ-UHFFFAOYSA-N 458.676 2.368 30 10 JEEE C=C(Cl)Cn1c(N2CCN([C@H](C(N)=O)c3ccccc3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1301061337 SLZDZACPNKFTPA-GBXCKJPGSA-N 489.020 2.420 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(=O)NC(C)C)n1C[C@H]1CCCS(=O)(=O)C1 1301334330 ICOGRUNDFIUFBE-LJQANCHMSA-N 475.615 2.442 30 10 JEEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1301436275 YOYOBCKJBSOFIC-KRWDZBQOSA-N 462.576 2.096 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2ccc(O)cc2)CC1 1301492654 MLEDPYKWJFBBIW-UHFFFAOYSA-N 453.934 2.328 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCN(C3CCCCC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1301596384 NBJYYLLNJTWOIE-DEOSSOPVSA-N 495.690 2.374 30 10 JEEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCn3c(CCc4ccccc4)nnc3C2)c1 1309808946 FEIPFPYNAREENX-UHFFFAOYSA-N 451.552 2.184 30 10 JEEE CCN(CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(C#N)C1)C(=O)OC(C)(C)C 1313801586 HLJVBJVTCQKFEV-KKSFZXQISA-N 483.639 2.275 30 10 JEEE COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@](C)(O)CCC(C)C)CC1 1315742933 AYDRPJBAYNULSK-XMMPIXPASA-N 454.575 2.299 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1358954908 AHJQLRDENMBLHV-QUCCMNQESA-N 478.578 2.356 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1CCCN1CCCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1358961212 UJCNFQDTHNOTGW-VQTJNVASSA-N 458.632 2.175 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCOc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1358966345 NALJWPFQSFKQTA-OAQYLSRUSA-N 482.610 2.154 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccncc1 1359016983 QKMZIMXJUXPSMJ-JOCHJYFZSA-N 498.584 2.028 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(=O)NC(C)C 1359024775 VKHPXZCVCFNXQP-SFHVURJKSA-N 462.595 2.003 30 10 JEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](CC(C)C)NC(=O)OCC)CC1 1359159393 VITSAOJBEMTWEP-IRXDYDNUSA-N 456.613 2.206 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)N2CCC(C)CC2)CC1 1359178863 DYHQOSFMAFKHMO-CTNGQTDRSA-N 480.679 2.134 30 10 JEEE CCCCn1c(N)c(N(Cc2ccccc2)C(=O)CN2CCC[C@@](C)(C#N)C2)c(O)nc1=O 1473299761 CWASSGALNMIKEW-DEOSSOPVSA-N 452.559 2.490 30 10 JEEE CS(=O)(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(Nc2cccnn2)CC1 1505129501 GQMLQSQPUUAWCT-UHFFFAOYSA-N 466.571 2.122 30 10 JEEE C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@@H]1CCCc2cccnc21)[C@H]1CCS(=O)(=O)C1 1507624587 BWHXDEXHBZFGFD-JBACZVJFSA-N 487.626 2.144 30 10 JEEE C#CCN(c1nnc(-c2ccccc2F)n1Cc1cccnc1OC)[C@@H]1CCS(=O)(=O)C1 1507629714 OTRUEVAAVXOSLS-QGZVFWFLSA-N 455.515 2.163 30 10 JEEE C#CCN(c1nnc(CCCc2ccccc2)n1Cc1snnc1C)[C@H]1CCS(=O)(=O)C1 1507639572 LCEFRMPYEGZESH-IBGZPJMESA-N 470.624 2.288 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCc2ccccc21 1507671314 IXJRMQWBXBGOJM-GMAHTHKFSA-N 481.622 2.194 30 10 JEEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1507759422 HDQVASBMYAMUQF-LJQANCHMSA-N 479.603 2.146 30 10 JEEE C=C(Br)Cn1c(N2CCC[C@@H](S(C)(=O)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1507793120 NWKKDTISMRFWIP-QAPCUYQASA-N 477.425 2.241 30 10 JEEE C=C(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1507825151 RPNCCQCWXVJTPS-KRWDZBQOSA-N 458.538 2.307 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCN(CC(F)(F)F)C2)CC1 1507904523 YRFVSCCTZQQTRL-IAGOWNOFSA-N 461.554 2.467 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1508079447 VYNXKTZGTBDVLJ-UHFFFAOYSA-N 461.570 2.490 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(CS(C)(=O)=O)cc2)C1 1508115485 ASMWJKWREDBVPK-FQEVSTJZSA-N 456.572 2.053 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC2(S(C)(=O)=O)CC2)C1 1508125053 DAVSNQCJQCVLEE-KSZLIROESA-N 495.646 2.407 30 10 JEEE CC(C)NC(=O)c1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1C[C@H](C)N1CCOCC1 1509605081 GNGSNNXUSWEOTE-SFHVURJKSA-N 451.575 2.178 30 10 JEEE CC[C@@]1(C)CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CCO1 1513576532 HRENKWQTUYPANQ-GCJKJVERSA-N 458.588 2.104 30 10 JEEE CCN(CC)C[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(C(N)=O)CCOCC2)C1 1515572628 AWSHUSMQRZDQFO-HXUWFJFHSA-N 465.602 2.267 30 10 JEEE CN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1516969494 DVNYXCOBTDPRKV-KDURUIRLSA-N 465.558 2.208 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCCN(C)S(=O)(=O)CC 1539003517 OOHYURDRTZISIV-GOSISDBHSA-N 499.641 2.365 30 10 JEEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(CCOC)[C@@H](C)C1 1539053124 ZRONKFJXETYMBA-IBGZPJMESA-N 459.616 2.309 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H](C)c1nc(C)cs1)[C@H]1CCS(=O)(=O)C1 1539210195 BJPFACPMXPWEPO-WBVHZDCISA-N 458.613 2.479 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1C[C@@H](c1cccc(C)c1)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1539219696 LYBINTZLCSOYIX-RPWUZVMVSA-N 499.681 2.485 30 10 JEEE C#CCN(c1nnc(CSc2ccccc2OC)n1CCc1cn[nH]c1)[C@H]1CCS(=O)(=O)C1 1539231819 XDCCWHLBRZVKDW-SFHVURJKSA-N 486.623 2.172 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CC2(OCCOC)CCOCC2)CC1 1539469729 FJCUGWCITAHMSI-UHFFFAOYSA-N 485.585 2.025 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(C)C)CC1 1539632698 SWRGLPCLZCQSRB-BJLQDIEVSA-N 451.637 2.128 30 10 JEEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1539966161 FXORZUGTXHRMRH-QZTJIDSGSA-N 483.635 2.266 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(Oc2ccc(F)cc2F)CC1 1540902479 KRBLYTULYOIHSI-GOSISDBHSA-N 495.552 2.156 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1540907498 YQJICOPNOSSHOY-NRFANRHFSA-N 484.626 2.251 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccsc1Br 1541105008 DGNYMOBHHOVPJV-GHMZBOCLSA-N 461.411 2.356 30 10 JEEE C[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(OCC(N)=O)CC1)c1nccs1 1541865042 HWIMMXYVZPZHIV-MRXNPFEDSA-N 481.582 2.460 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1544582101 GALKFEKKESAXNE-ZWKOTPCHSA-N 475.557 2.332 30 10 JEEE COCCNC(=O)[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CCN1C(=O)Cc1c(C)noc1C 1548372480 IJJYTXRCTPLNRU-FQEVSTJZSA-N 493.486 2.204 30 10 JEEE C#CCN(c1nnc(-c2ccc(Br)s2)n1C[C@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1588041152 VJGPRXIFKKWMEK-UONOGXRCSA-N 486.461 2.346 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1Cc1cnn(CC)c1)[C@H]1CCS(=O)(=O)C1 1588041597 YFBBGBUPWRBZOV-SFHVURJKSA-N 489.001 2.499 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1ccccc1OCCOC)[C@H]1CCS(=O)(=O)C1 1588049610 JLEKSTUODCFAIM-NRFANRHFSA-N 481.578 2.040 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@H]1OCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1588068834 AFIAVNVXJTWJKZ-SVFBPWRDSA-N 458.584 2.217 30 10 JEEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1CC1(C)COC1)[C@@H]1CCS(=O)(=O)C1 1588069416 NKQGZHLAFVSJOL-LJQANCHMSA-N 458.584 2.137 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2csc(-c3ccccc3)n2)CC1 1588741802 IBJLUMHDTCSALX-GOSISDBHSA-N 499.666 2.010 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2Cc2ccccc2OCCN(C)C)CC1 1588849031 WBCJGDUFYVCMPX-UHFFFAOYSA-N 459.598 2.008 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H](OC)c2ccccc2)CC1 1588892197 ZDOJBXYGQNOOBE-NVQXNPDNSA-N 481.597 2.284 30 10 JEEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1594448245 CKRZSKLWYSVURY-UHFFFAOYSA-N 468.606 2.174 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1594498759 XFAWCSNXCKPGNI-FUHWJXTLSA-N 477.635 2.357 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCN(C(C)=O)C1 1595084235 IJHUDLRSPVNHRH-XMSQKQJNSA-N 499.641 2.211 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1595489732 IFAXMVUZYSTURK-QFIPXVFZSA-N 455.950 2.386 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(F)cc3Br)n2CCS(=O)(=O)NC)C1 1595700555 PTONWCCBMVSEKX-AWEZNQCLSA-N 488.383 2.177 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(F)cc3Br)n2CCS(=O)(=O)NC)C1 1595700556 PTONWCCBMVSEKX-CQSZACIVSA-N 488.383 2.177 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 1595804996 KCIXHPMVRHGYNH-OAHLLOKOSA-N 466.995 2.345 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1cccc(NC(=O)C2CCC2)c1 1611686285 DESHPIPEZKWAQC-QRQCRPRQSA-N 489.577 2.117 30 10 JEEE CCc1nnc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(CCC#N)CCC(C)C)s1 1613904924 CKZPBGDFQODRFE-OAHLLOKOSA-N 451.622 2.409 30 10 JEEE C#CCN(CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1)[C@H]1CCc2ccccc21 1615265439 RJUKFBXAOPLGIV-DEOSSOPVSA-N 451.592 2.283 30 10 JEEE C=CCC1(NC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OCC)CCOCC1 1622746427 ANUUGPWEKKHSNM-UHFFFAOYSA-N 453.561 2.353 30 10 JEEE Cc1ccc(S(=O)(=O)N[C@@H](C(=O)Nc2ccc(Br)c(C#N)c2)[C@H](C)O)cc1 1635978803 BSRHHTXSSCGTJD-YVEFUNNKSA-N 452.330 2.296 30 10 JEEE CCOc1ccc(N2CCN(S(=O)(=O)c3ccc(Br)c(C#N)c3)CC2)nn1 1656124171 CPNCBNMEMSMJPL-UHFFFAOYSA-N 452.334 2.020 30 10 JEEE C#CCN([C@H]1CCOc2ccc(Br)cc21)S(=O)(=O)c1cnn(CCOC)c1 1662170508 HKFASTVGSVYDFU-KRWDZBQOSA-N 454.346 2.440 30 10 JEEE C#CCCCn1c(-c2ccc(C)o2)nnc1N1C[C@@H]2[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1689919183 FPOYRCSJWFVHKH-ZIFCJYIRSA-N 489.598 2.386 30 10 JEEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cc2c(cc1OC)C[C@H](C)O2 1690003397 MGKPLFLWRFRWTQ-AVRWGWEMSA-N 450.539 2.383 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1C[C@@H](C)N1CCN(c2ccccc2)CC1 1690104255 RCHXBPJSFBWXPW-FGZHOGPDSA-N 452.603 2.079 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2C[C@](C)(O)C(C)C)CC1 1690139889 DIVDATHPDSNUEG-DEOSSOPVSA-N 453.543 2.047 30 10 JEEE C=C(Br)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(C)C)C(=O)C1 1690218422 GEGBHXFVLOFJTG-UHFFFAOYSA-N 462.352 2.139 30 10 JEEE C=C(Br)Cn1c(-c2noc3c2COCC3)nnc1N1CCN(CC(F)F)CC1 1690226815 MYYRKRYJOZFXDF-UHFFFAOYSA-N 459.295 2.302 30 10 JEEE C=C(C)CN(CC)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCCS(=O)(=O)C1 1690271336 LNCQPQBHOHZAIG-MRXNPFEDSA-N 451.618 2.497 30 10 JEEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCN1CCN(c2ccccc2)CC1 1690287645 MPSLAIMHKMKUQZ-HXUWFJFHSA-N 458.632 2.015 30 10 JEEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1690315854 NZABWZJALKMYAX-OAQYLSRUSA-N 453.591 2.439 30 10 JEEE C=C(Cl)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1690333140 XSLBKVRXDXONLJ-UHFFFAOYSA-N 468.743 2.309 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C(C)C)C1 1690432470 DUWIAZLRWLQNHO-ZWKOTPCHSA-N 455.625 2.075 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCCN(C(=O)CC2CCCC2)CC1 1690668297 ZGFFUPLIOLUILB-UHFFFAOYSA-N 451.575 2.261 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1690722616 PPCHXYFCCDBRAC-QGZVFWFLSA-N 478.619 2.330 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N(C)Cc1ccc([S@@](C)=O)cc1 1690724493 QHFLOHRJMHTZCZ-HZAQMHFWSA-N 466.629 2.494 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCC(CN2CCOCC2)CC1 1690725429 PMDOGSOMWTYTIR-UHFFFAOYSA-N 491.633 2.157 30 10 JEEE C=CCSCCn1c(N2CCN(c3ccnc(C)n3)CC2)nnc1[C@]1(OCC)CCOC1 1690752588 MDUHAMKLEBFQGA-QFIPXVFZSA-N 459.620 2.274 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1Cc1cn(C2COC2)nn1 1705477507 OYHOGOQJLUSUQO-IRXDYDNUSA-N 451.531 2.486 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCS(=O)(=O)NC(C)C 1705491521 DLRDLPZNEAHLNP-ZWKOTPCHSA-N 482.651 2.178 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OCC)CCOC3)n2CC2=CCCOC2)c1 1705504016 KMERLYWYIDBYKQ-VWLOTQADSA-N 465.554 2.333 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1CCCOC1CCCCC1)[C@H]1CCS(=O)(=O)C1 1705564384 AZAYUSMXQCZWIM-SFHVURJKSA-N 458.588 2.101 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H](C(CC)CC)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1705565427 HMLYLSVZCRCZPQ-IFMALSPDSA-N 488.658 2.037 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1ccc(OC(C)C)nc1)[C@@H]1CCS(=O)(=O)C1 1705569158 CUIPGWUUDGWEIA-OAQYLSRUSA-N 480.594 2.121 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc2c(c1)OCCO2 1705582499 CIOKYLUNJVGBHE-FQEVSTJZSA-N 493.564 2.479 30 10 JEEE C#CCN(CC#C)c1nnc(COc2cccc(C)c2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1705585929 OHOZYYZGCGXDOW-FYYLOGMGSA-N 481.622 2.443 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1705598521 LAAQHIJKWQKBMJ-UXHICEINSA-N 489.642 2.290 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(NC(=O)c2ccco2)cc1 1705620969 MIQVYPLOSWQJPA-UHFFFAOYSA-N 476.537 2.494 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC(C)(C)N2CCC[C@@H](C)C2)CC1 1705635360 WUGXLSYBZDYESG-PXDATVDWSA-N 458.651 2.196 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)s3)n2CCC(=O)NCCC)CC1 1705636107 XYBGPIYZDKFDMZ-UHFFFAOYSA-N 465.421 2.441 30 10 JEEE C=C(Br)Cn1c(Cc2ccccc2OC)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1705687584 GIBYVGPGSFAYLB-HNNXBMFYSA-N 484.420 2.256 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2cn3ccccc3n2)nnc1N(C)C[C@H](C)C(=O)NC 1705706039 OTQYVNGAALLOJJ-SVMVAKDDSA-N 451.575 2.316 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC[C@@](C)(CC)O1 1705716570 OHUVBIYGKKYILL-LVCYWYKZSA-N 455.625 2.361 30 10 JEEE C=C(C)COCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(NC(=O)COC)CC1 1705736900 FZCNCFPMPALYEV-NRFANRHFSA-N 471.558 2.115 30 10 JEEE C=CC[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](COC)C1)c1ccccc1 1705797469 WXGVAYRYUCHPQA-KSEOMHKRSA-N 489.642 2.444 30 10 JEEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1705907308 ICHGBFAWLLIJJX-UHFFFAOYSA-N 460.586 2.099 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCC(Cn2cncn2)CC1 1705932482 FBVJWTVCRSQXPS-UHFFFAOYSA-N 471.587 2.063 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCCN(C(=O)CC2CCCC2)CC1 1705938907 MTCPKTXWVFLZEA-HXUWFJFHSA-N 479.647 2.349 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1C[C@H]1CCCOC1 1706619326 CIWOBOCLXVOTFL-GOSISDBHSA-N 455.538 2.180 30 10 JEEE CCS(=O)(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1CCN(C)CC(F)(F)F 1710867295 HXPQPIJOJLIZTC-UHFFFAOYSA-N 458.510 2.182 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@@H](C)CN2CCCC2)c1 1722306013 NVZDRXRPDRJQOE-IBGZPJMESA-N 465.602 2.204 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ccccc1COCCC)[C@H]1CCS(=O)(=O)C1 1722361139 LMUXKTFBTPBBOX-NRFANRHFSA-N 480.594 2.337 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccnc1OCC(F)(F)F 1722395992 FFKGCCZKJUICMY-KRWDZBQOSA-N 481.500 2.028 30 10 JEEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1Cc1cccc(CN2CCOCC2)c1 1722401220 PLYXWWLJNMPEAE-UHFFFAOYSA-N 471.609 2.483 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(c2ccc(F)cc2)CCOCC1 1722428701 JBBDMXNBWFRCGM-LJQANCHMSA-N 490.601 2.154 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCN2CCCC(C)(C)C2)CC1 1722449207 HYRJSSHFQVVTBY-UHFFFAOYSA-N 480.661 2.228 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(N2CCCCC2)CC1 1722459484 KXEVRLJPUKWIHS-SFHVURJKSA-N 451.662 2.001 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@H](CC(N)=O)C1 1722689706 XLUCEDLWROIASJ-JKSUJKDBSA-N 460.966 2.466 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CC)[C@@H](C)C1 1722703596 CSDPTWQOMHGRNT-ROUUACIJSA-N 461.611 2.183 30 10 JEEE Cn1nncc1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(CCC#N)CC1CC1 1729605825 CLAIVZYRTANJFO-UHFFFAOYSA-N 453.938 2.168 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](CC)N1CCc2ccccc2C1 1740553010 QHXYRACXTRCGCE-VLCRHTCISA-N 455.628 2.475 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CC2(S(C)(=O)=O)CCCC2)c1 1740561736 BEXIRWGNVUBMLY-UHFFFAOYSA-N 495.609 2.092 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1C[C@H](C)N(C)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1740615339 BHBWMABYGLCHSY-IRXDYDNUSA-N 467.636 2.458 30 10 JEEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1cccnc1-n1cccn1)[C@H]1CCS(=O)(=O)C1 1740617724 WKHQKBLSQGJZIV-HKUYNNGSSA-N 453.572 2.047 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@H](C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 1740619830 LQMQNVQXOJWYDV-CTNGQTDRSA-N 471.627 2.312 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCOC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1740621825 ZLJBKUBPLRFVOB-QMMLZNLJSA-N 453.568 2.116 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccc(C(C)(C)O)cc1)[C@@H]1CCS(=O)(=O)C1 1740628872 VQXVBFNCHXNMLO-WOJBJXKFSA-N 458.584 2.032 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1Cc1ccc(F)cn1)[C@H]1CCS(=O)(=O)C1 1740628920 WLPSYSGDUGXYGT-SFHVURJKSA-N 473.505 2.205 30 10 JEEE C#CCSCCn1c(N2CC(C)(C)O[C@]3(CCOC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1740722110 DVFHSAMOCHZTKV-DHIUTWEWSA-N 464.632 2.459 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(=O)COC)CC1 1740756174 ODGVUWPZRRGBRR-JPYJTQIMSA-N 485.585 2.239 30 10 JEEE C=C(C)COCCn1c([C@H]2CCCCO2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1740795011 MDPKJJYDSNPQTL-XZOQPEGZSA-N 476.666 2.344 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cccnc2OCCCC)CC1 1740825499 PAAYGRROAFRXJM-HXUWFJFHSA-N 490.630 2.390 30 10 JEEE C=CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1740945759 SOVFKTAVNSFXNE-UHFFFAOYSA-N 458.950 2.064 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1740950750 GGZRKPRVJQPIOC-LJQANCHMSA-N 476.585 2.252 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1740955427 UNLUBXVXMWOXOV-FQEVSTJZSA-N 457.542 2.014 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCC(CN2CCOCC2)CC1 1740963571 OPVYZQLZCNRVNH-UHFFFAOYSA-N 482.629 2.325 30 10 JEEE C=CCNC(=O)Cn1c(N(C)[C@H]2CCCN(c3ccccc3)C2)nnc1[C@]1(OCC)CCOC1 1740964333 BBBADDISZREUJA-OFVILXPXSA-N 468.602 2.338 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 1740987831 NETIJPVMWMKIMR-OAQYLSRUSA-N 485.610 2.303 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C(=O)OC)CC1 1740988501 GVULCIJZVKJCKY-UHFFFAOYSA-N 471.942 2.227 30 10 JEEE CC(C)C(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC(F)(F)F)CC1 1741271919 CJNKUFJOFMDUDA-UHFFFAOYSA-N 477.491 2.190 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1[C@H](C)CCN1C(=O)OC(C)(C)C 1748671865 NSGXKIKMYQDVTO-XDNAFOTISA-N 465.620 2.284 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2CCCN2CCOCC2)c1 1748691476 GFFGHLCZCSHCHU-UHFFFAOYSA-N 459.554 2.119 30 10 JEEE C#CCCCCn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1748702668 AFWMTDYNWOELOJ-UHFFFAOYSA-N 454.962 2.329 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1CCc1nnc2n1CCCCC2)[C@H]1CCS(=O)(=O)C1 1748817809 QWFATDYRAIMWCU-SFHVURJKSA-N 473.647 2.054 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1ccc(COC)cc1)[C@H]1CCS(=O)(=O)C1 1748819367 NTGKCCOPZQFXCF-QFIPXVFZSA-N 465.579 2.085 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CC(F)(F)CO1 1748869044 RMNLBMBCZJYGOO-KRWDZBQOSA-N 476.553 2.434 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)c1ccc2c(c1)OCCO2 1748892511 PUDBRHYECQCRAC-LJQANCHMSA-N 482.606 2.392 30 10 JEEE C=C(C)COCCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1749213888 RCDKFBAVOMVOAT-OAHLLOKOSA-N 472.409 2.262 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)C[C@@H](C)C#N)n1Cc1ccnc(OC2CCCC2)c1 1750059628 AYSGFWHQSGDYJE-HOTGVXAUSA-N 461.592 2.249 30 10 JEEE CC(C)(C)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(C(N)=O)CCOCC2)CC1 1750483906 HQAZMOSZIPMZBW-UHFFFAOYSA-N 451.575 2.019 30 10 JEEE CC(C)(C)[S@@](=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](CC(N)=O)C1 1750520226 HFWTWBCRXQPJIK-XHVUARLKSA-N 472.615 2.368 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1Cc1cccc(OCC(=O)N(C)C)c1 1760121924 WIYXDCZEGRCJJA-LJQANCHMSA-N 471.565 2.490 30 10 JEEE C#CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(S(=O)(=O)CC)CC1 1760152836 AHZKYDMZQZRONZ-UHFFFAOYSA-N 454.556 2.411 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@](C)(OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1760189003 FHAFTEZJRDXRAF-CVDCTZTESA-N 460.575 2.450 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccnc1OC1CCCC1 1760219338 BITTWQJLYZNDGJ-HXUWFJFHSA-N 467.595 2.408 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CCCN1CCCCC1=O 1760240737 AHWLWPFKRZLNSE-FQEVSTJZSA-N 452.534 2.411 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2CCNS(=O)(=O)c2ccc(C)s2)CC1 1760262697 WXMNNOKUIBQOLO-UHFFFAOYSA-N 498.678 2.281 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCNC(=O)C(C)(C)C)CC1 1760267616 SUAUYBGMSJKIMN-UHFFFAOYSA-N 496.612 2.090 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@H]2N(C)CCCC2(C)C)CC1 1760271521 AKAYNNSLNIRYJK-JOCHJYFZSA-N 463.630 2.350 30 10 JEEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1760276079 SCBLQRHOJMGRBU-QHCPKHFHSA-N 489.667 2.016 30 10 JEEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@H](NC(=O)OCC)C1 1760280466 QMJZBPIFVGTQRR-HNNXBMFYSA-N 460.560 2.087 30 10 JEEE C=C(C)COCCn1c(N2CCN(C(=O)N3CCCCC3)CC2)nnc1[C@]1(OCC)CCOC1 1760361270 ITWUHLOQIXBTOC-DEOSSOPVSA-N 476.622 2.251 30 10 JEEE C=CCCCn1c(-c2noc3c2COCC3)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1760437922 SRMVNEAUVWEQJD-IRXDYDNUSA-N 458.563 2.340 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1760503136 ABFONJGFSFCQII-XUVXKRRUSA-N 467.636 2.015 30 10 JEEE C=CCn1c(Cc2ccccc2OC)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1760511233 REEGURLWZAKRCE-DENIHFKCSA-N 452.603 2.442 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC(C(=O)NCc2ccc(C)c(F)c2)CC1 1760523268 RQIFCINYZMKORM-UHFFFAOYSA-N 492.559 2.018 30 10 JEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1760525527 ISXNBDDVZLZASG-UHFFFAOYSA-N 483.573 2.038 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1760551158 VIRCHJZPUBQKIV-YZZKKUAISA-N 476.599 2.327 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1760551325 BCXXAUCLDVBJJS-IBGZPJMESA-N 480.656 2.467 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCN(C)C(=O)C1 1760551492 HDBCGNZQUZYVDM-OAHLLOKOSA-N 463.629 2.011 30 10 JEEE CC1CCN(CCCn2c(-c3ccc(C#N)cc3)nnc2N2CCN(S(C)(=O)=O)CC2)CC1 1763015918 GUMBDTVTESWZQH-UHFFFAOYSA-N 471.631 2.020 30 10 JEEE N#Cc1cccc(C(=O)N[C@@H]2CCN(C(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)C2)c1 1858300744 OTUAFAJIVKTKQB-OAQYLSRUSA-N 466.563 2.377 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)CN3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)cc21 1858630215 KPSDYLDJCNUZDG-UHFFFAOYSA-N 469.563 2.096 30 10 JEEE C=CCNC(=O)[C@@H](NC(=O)[C@H]1CC(=O)N(CCc2ccc(OC)c(OC)c2)C1)c1ccccc1 1861593130 GMQKUVKRUBOYNM-RDPSFJRHSA-N 465.550 2.255 30 10 JEEE O=C(C1=C(O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccc(O)c([N+](=O)[O-])c1)c1ccc(F)cc1F 1862417341 YMNRPSZWSUJVGF-FQEVSTJZSA-N 489.431 2.489 30 10 JEEE O=C(O)c1ccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCCN2CCOCC2)cc1 1862596231 HKNSSPMFPKMJNZ-OAQYLSRUSA-N 466.490 2.391 30 10 JEEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(C(=O)O)cc1 1862756770 CFUKOHUTWSPOPM-SFHVURJKSA-N 453.407 2.007 30 10 JEEE N#C[C@H](c1cccs1)N1CCC(C(=O)N[C@@H](CO)C(=O)Nc2ccc3c[nH]nc3c2)CC1 1866866782 KQFQXMLOWXTQFP-RBUKOAKNSA-N 452.540 2.017 30 10 JEEE N#C[C@H](c1cccs1)N1CCC(C(=O)NCC(=O)N2CCN(c3ccccc3)CC2)CC1 1868782901 MPWOBXZKQDWSQQ-OAQYLSRUSA-N 451.596 2.490 30 10 JEEE COc1ccc(CCN2C[C@@H](C(=O)Nc3c(C#N)nnn3-c3ccc(F)c(F)c3)CC2=O)cc1OC 1870149772 PBJSVGYEYXSVTA-HNNXBMFYSA-N 496.474 2.464 30 10 JEEE CCCCN(CCO)Cc1cc(=O)c(OCc2ccc(C#N)cc2)cn1CCN1CCOCC1 1870348358 VARQVSKVEUWPQE-UHFFFAOYSA-N 468.598 2.226 30 10 JEEE C#CCOc1cn(CCCCCO)c(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1=O 1870562225 WIWJIQMQRAIUCS-UHFFFAOYSA-N 454.527 2.253 30 10 JEEE C=CCN(CC=C)c1nc(=NCc2ccc(S(N)(=O)=O)cc2)[nH]c(=Nc2cccc(C)c2)[nH]1 1871650281 RMMYVRHTFMLAQZ-UHFFFAOYSA-N 465.583 2.205 30 10 JEEE N#Cc1c(NC(=O)COc2nonc2CC(=O)N2CCN(c3ccccc3)CC2)sc2c1CCC2 1872637367 VRZWRTLOGWZQTF-UHFFFAOYSA-N 492.561 2.400 30 10 JEEE N#Cc1ccc(NC(=O)CCCC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 1873864519 MXQBVUFOCMPGJE-UHFFFAOYSA-N 458.515 2.339 30 10 JEEE COC(=O)c1ccc(CSc2nnc(CNC(C)=O)n2/N=C/c2cc(OC)c(O)c(OC)c2)o1 1874433271 IBIROPZJTMMSRA-NUGSKGIGSA-N 489.510 2.191 30 10 JEEE CCN1CCN(CC#CCOC2CCN(C(=O)[C@H](C)Cn3cnc4c3CCCC4)CC2)CC1 1890082561 UQNINYGZQVNNKR-JOCHJYFZSA-N 455.647 2.047 30 10 JEEE N#Cc1nccnc1OCC1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CC1 1891986855 LXEMMUAISMOXHP-UHFFFAOYSA-N 487.557 2.206 30 10 JEEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H]1C(=O)N1CCC(COc2cc(C#N)ccn2)CC1 1892001445 PCITYQYLSJHEAU-LJQANCHMSA-N 473.555 2.029 30 10 JEEE CN1C[C@@H](C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)c2)N(C(=O)OC(C)(C)C)CC1=O 2180981226 RRIJBAIREYGMRV-KRWDZBQOSA-N 459.352 2.002 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@H](CNC(=O)c2csc(B3OC(C)(C)C(C)(C)O3)c2)C1 2255700526 DQPZQYRLQRHPLJ-OAHLLOKOSA-N 452.382 2.413 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)CC[C@@H]2CO)C1 2266536596 UHGHNYHQMSUMQV-FJJGWFQOSA-N 465.591 2.417 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CC[S@@](=O)(=NC(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)C1 2266998524 RLWFYRJSERGVSB-BYLKAPHFSA-N 465.381 2.286 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1 2267195787 MGLUNBAKBTYYSM-GOSISDBHSA-N 457.405 2.382 30 10 JEEE Cc1cc(C(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)sc1B1OC(C)(C)C(C)(C)O1 2267235271 HZTLJTJLOFFMAB-LSDHHAIUSA-N 466.409 2.313 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@H]1CNS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2267376385 UYDBKDNLKRKOAP-INIZCTEOSA-N 467.397 2.059 30 10 JEEE CC(C)(C)OC(=O)NCCc1nnc(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)o1 2267537618 JBHJDZXOXRPQLW-UHFFFAOYSA-N 465.341 2.145 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CC[C@H]1NS(=O)(=O)Cc1ccccc1B1OC(C)(C)C(C)(C)O1 2267710057 MYYRJJANBBZLOL-ZWKOTPCHSA-N 466.409 2.461 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCOC[C@H]1NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2267715371 WOGBOEWADZDYMI-UONOGXRCSA-N 488.437 2.008 30 10 JEEE Cn1[nH]c(=NC(=O)OC(C)(C)C)cc1C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)s1 2268664756 XLAZDYRQZDSOPG-UHFFFAOYSA-N 462.381 2.480 30 10 JEEE CC(C)(C)OC(=O)N1CC2(COC[C@H](CNc3ncccc3B3OC(C)(C)C(C)(C)O3)O2)C1 2279325995 USFGRTUKVYDBIZ-INIZCTEOSA-N 461.368 2.198 30 10 JEEE Cn1nncc1C1(Oc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)CN(C(=O)OC(C)(C)C)C1 2280562069 FFNSBTWLSXKPLZ-UHFFFAOYSA-N 457.340 2.034 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1COCCN1C(=O)c1c(F)cccc1B1OC(C)(C)C(C)(C)O1 2281790796 LQYVFLLSQXHUCC-HNNXBMFYSA-N 464.343 2.491 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC2(CCN(C(=O)OC(C)(C)C)C2)C1 2281961665 PEBOOBHSPCSQEI-UHFFFAOYSA-N 460.384 2.285 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C 2282005403 PKUWABFTXDEAFQ-CABCVRRESA-N 462.400 2.449 30 10 JEEE Cn1nc(C(=O)NC[C@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2282045098 YKQRFCUXIABDIP-XMHCIUCPSA-N 480.802 2.360 30 10 JEEE CN(C[C@]1(O)CCN(Cc2ccccc2)C1)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2282187050 DEMSLERPIOPFSU-RUZDIDTESA-N 451.376 2.090 30 10 JEEE Cc1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H]3COC[C@H]32)oc1B1OC(C)(C)C(C)(C)O1 2282581385 HJGSYQODCUZCQM-CVEARBPZSA-N 462.352 2.348 30 10 JEEE Cc1c(C(=O)N2CCCN(C(=O)OC(C)(C)C)[C@@H](C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282589061 YHWJPMATFGCROP-HNNXBMFYSA-N 462.400 2.499 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2CCN(C(=O)c3ncncc3B3OC(C)(C)C(C)(C)O3)C[C@@H]2C1 2282705738 BNNLXMWIIYJEBF-HZPDHXFCSA-N 458.368 2.105 30 10 JEEE CC1(C)OB(c2cccc(S(=O)(=O)N3CCN(Cc4ccccc4)[C@@H](C#N)C3)c2)OC1(C)C 2282865708 XQNURGWMJPKBCJ-NRFANRHFSA-N 467.400 2.384 30 10 JEEE CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1CNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2283064308 YVUXOKIOQQAQTK-CYBMUJFWSA-N 468.310 2.150 30 10 JEEE Cc1ccc(CNC(=O)[C@@H]2C[C@H](O)CN2C(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2296175490 AABXUCBLQSMVOT-HKUYNNGSSA-N 460.380 2.281 30 10 JEEE CC(C)N1C[C@H](c2nnc(SCC(N)=O)n2N=Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1=O 2329013379 GEPCPAUBXRXTQV-GFCCVEGCSA-N 465.923 2.024 30 10 JEEE CC(C)N1C[C@H](c2nnc(SCC(=O)NCc3ccco3)n2N=Cc2cccn2C)CC1=O 2329021213 GWIBZGNAHGAAQB-MRXNPFEDSA-N 469.571 2.225 30 10 JEEE COCCc1nnc(SCC(=O)NCc2ccco2)n1N=Cc1cc(OC)c(OC)cc1OC 2331273763 OXFRYFRZCOIZHA-UHFFFAOYSA-N 489.554 2.377 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1COC(C)(C)[C@]1(C(=O)O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 2346919116 MJBHTIJOQJPRLC-IECBHUPTSA-N 458.559 2.222 30 10 JEEE CC(C)(C)OC(=O)N1CC2(CC[C@@H](NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)sn3)CO2)C1 2362300241 WSKMLYIZBSOMQR-CQSZACIVSA-N 479.408 2.341 30 10 JEEE COc1cc([C@H]2C3=C(O)N=C(NCc4ccc5c(c4)OCCCO5)NC3=NC(=O)[C@H]2C#N)ccc1O 72461302 IOYSAGHHVCKMAM-MGPUTAFESA-N 489.488 2.243 30 10 JEEE COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccccn2)cc1OC 102711255 DNZMJSFXBMPFPO-RKKARLDVSA-N 467.522 2.243 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)[C@@H](C)[S@@](=O)CC(=O)NCCc3ccccc3)cc21 586312931 ITUGAUIJXXPEMW-IAQAZVPISA-N 454.548 2.277 30 10 JEEE C#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](CC(=O)OC)C(=O)O 757294789 CASIBOACKHTRSV-LEWJYISDSA-N 464.474 2.050 30 10 JEEE Cc1nn(CCO)c(C)c1C=NNc1nc(SCC(=O)NCc2ccc(C(F)(F)F)cc2)n[nH]1 1083920341 QQZAKSXMDMTUJV-UHFFFAOYSA-N 496.519 2.484 30 10 JEEE CC(=NNc1nc(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)n[nH]1)c1ccc(F)cc1 1084411520 WBMYLHYPXCYBQE-UHFFFAOYSA-N 463.520 2.158 30 10 JEEE C=C[C@@H](C)ONC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1CCC 1164413829 IQXYZQIEEBMCHP-MRXNPFEDSA-N 450.561 2.022 30 10 JEEE COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)CN1CCN(CCC#N)CC1 1175461131 GRSJURVZAAHGQK-UHFFFAOYSA-N 451.527 2.426 30 10 JEEE N#Cc1ccc(CN2CC[C@@H](NC(=O)N[C@@H]3CCN(CCCc4ccccc4)C3=O)C2=O)cc1 1229852303 CCYKAQIPICGEMY-DHIUTWEWSA-N 459.550 2.192 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2C[C@](C)(O)[C@@H](C)CC)c1 1286312037 QDVQOPBSSFMIHF-BVZFJXPGSA-N 466.586 2.254 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCC(F)(F)F)nc1 1286448189 RARJHUGBXGTYOA-OAHLLOKOSA-N 457.478 2.024 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(F)cc3Br)n2CC[C@H]2COCCO2)CC1 1286474168 CYLMZOIOXJXZER-KRWDZBQOSA-N 478.366 2.407 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2CCCS(=O)(=O)Cc2ccccc2)CC1 1286485876 BGZULUOMDGCMMF-UHFFFAOYSA-N 471.627 2.372 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CC(=O)NC(C)C)CC1 1286489138 HHDAIVMNYHYPEW-UHFFFAOYSA-N 496.612 2.231 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 1286562621 GZEGUKVAYAROJU-ZVDOUQERSA-N 464.636 2.380 30 10 JEEE C=C(C)Cn1c(COc2ccccc2OC)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1286597674 ZXYVTWMOQMYGCV-UHFFFAOYSA-N 463.542 2.262 30 10 JEEE C=CCC(C)(C)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCN(CC(=O)N(C)C)CC1 1286674396 PJCPMGUBWQNAKM-UHFFFAOYSA-N 464.618 2.329 30 10 JEEE C=CCCOCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1286716254 ISLBXOMCPRVTER-OALUTQOASA-N 464.611 2.225 30 10 JEEE C=CCN(C)c1nnc(Cc2cn3ccccc3n2)n1CCNS(=O)(=O)c1ccccc1 1286728339 WFYQEKNWGUYHLY-UHFFFAOYSA-N 451.556 2.117 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1286818744 NDDVNZMIHDANQC-UHFFFAOYSA-N 457.478 2.289 30 10 JEEE CC(=O)N1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2Cc2ccc(C#N)o2)CC1 1286866609 DDHDUUYRXVDZTR-UHFFFAOYSA-N 467.917 2.043 30 10 JEEE CCNC(=O)C(C)(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)C[C@H](C)C#N 1296238944 GFCYVBSKOZHWPI-MRXNPFEDSA-N 464.574 2.433 30 10 JEEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@H](C(C)C)N1CCOCC1 1300455663 OCSDUSAJELUWHB-JOCHJYFZSA-N 477.613 2.491 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H](C)c1ncc(C)s1)[C@@H]1CCS(=O)(=O)C1 1300499551 UOXBOWXIVYDNFQ-VQIMIIECSA-N 470.624 2.459 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccco1)N1CCCCC1 1300557217 QXELHEJGMLWHKI-PMACEKPBSA-N 472.615 2.171 30 10 JEEE C#CCN(CC)c1nnc(-c2ccc(F)cc2Br)n1CCNS(=O)(=O)CC 1300608950 HLSTUEZFQPOKQI-UHFFFAOYSA-N 458.357 2.246 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccccc2OC)n1Cc1cccc(N2CCOCC2)n1 1300665731 OXMSXBCJCLWIAG-UHFFFAOYSA-N 462.554 2.320 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCCOc2ccc(C)cc2)CC1 1300719677 LNYGDBXMPZHIDK-UHFFFAOYSA-N 459.554 2.478 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2cn3ccccc3n2)nnc1N(C)CCS(=O)(=O)CC 1300891339 KFAPUILJXYRDDC-PGRDOPGGSA-N 472.615 2.369 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](C)c2ncc(C)s2)C1 1301539840 WSTQVLDXUVJJDP-FVQBIDKESA-N 454.622 2.238 30 10 JEEE C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N(C)C)CC1)N1CCC[C@@H](C)C1 1305022690 COCOIHQGRKUUCG-RTWAWAEBSA-N 478.645 2.147 30 10 JEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1358913200 IISVJSVJPRITAJ-WOJBJXKFSA-N 459.620 2.109 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCO[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1358967972 WULSFMRPHQNIBT-DOIPELPJSA-N 494.658 2.019 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2F)n1CCCN(C)S(=O)(=O)CC 1358973238 KSZIGDWXVUPERS-UHFFFAOYSA-N 451.955 2.482 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(=O)N[C@H](C)CC 1358994153 GHJCKKPRAQFHAE-WOJBJXKFSA-N 486.617 2.354 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCN1CCSCC1 1359027316 DZDTYTMVNOOYID-KDURUIRLSA-N 478.663 2.184 30 10 JEEE C=C(C)COCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@](C)(C(=O)NC)C1 1359131523 WPMITDZJKWGFCZ-VWLOTQADSA-N 479.585 2.230 30 10 JEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)Nc2cccc(C)c2C)CC1 1359132115 NUUJKKPBJORKMM-JOCHJYFZSA-N 495.628 2.199 30 10 JEEE C=C(C)COCCn1c(Cn2ccc3ccccc32)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1359135918 SCPGTWNKZJVNNF-UHFFFAOYSA-N 493.612 2.047 30 10 JEEE C=CCn1c(COc2ccc(OC)cc2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1359289831 OMAAUZUFZWNMHP-IBGZPJMESA-N 454.575 2.185 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1359302190 YWHMUVJNEHFJEX-UHFFFAOYSA-N 456.566 2.393 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCC2=CCCCC2)C1 1359321856 MUYDIQFXIXDKTD-PMACEKPBSA-N 465.620 2.283 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1359329390 HUORPLFQHXLSLE-HKUYNNGSSA-N 495.049 2.141 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](C)[C@H](C)C1 1359332601 BPSKXRONWBHWRB-KURKYZTESA-N 483.635 2.280 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@H](C(=O)OC)C1 1359335086 ZVIXPDQENGCECO-IBGZPJMESA-N 476.599 2.464 30 10 JEEE C=CCn1cc(CNC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCCC2)nn1 1436930303 GFTMXVCYBPIXDP-UHFFFAOYSA-N 458.588 2.169 30 10 JEEE CC#CCCNC(=O)c1ccc(S(=O)(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 1466462184 YBDJVVVXGGEPPF-UHFFFAOYSA-N 452.536 2.428 30 10 JEEE C#CCN(CC(=O)N[C@H](CO)c1ccccc1I)C(=O)OC(C)(C)C 1472298785 NYOAWPGTNCAEQA-OAHLLOKOSA-N 458.296 2.311 30 10 JEEE CC[C@@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCN1CCSCC1 1495721769 DQVGETQOUUMRJX-QGZVFWFLSA-N 457.652 2.081 30 10 JEEE CCC(CC)[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](C#N)C1)N1CCOCC1 1496668429 CXRJDCPFVDUXJX-VXKWHMMOSA-N 470.622 2.006 30 10 JEEE CCOC(=O)N[C@@H](CC(C)C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC#N)CC1 1502516538 DCVKAUYYPUNZKI-MOPGFXCFSA-N 480.635 2.471 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@](C)(O)c1ccco1 1504873180 CAAYTYJKBRZOFQ-DVECYGJZSA-N 464.526 2.255 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCc1c(C)cccc1C)[C@H]1CCS(=O)(=O)C1 1507623856 YLFSBUBUQMWBPI-FQEVSTJZSA-N 492.605 2.412 30 10 JEEE C#CCN(c1nnc(CC2CCCC2)n1CCOc1ncccc1F)[C@@H]1CCS(=O)(=O)C1 1507633245 CLZHNRRURQZEHK-GOSISDBHSA-N 461.563 2.251 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1CCN(C)Cc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1507634515 NXHPXXVQHRVXJI-NRFANRHFSA-N 461.607 2.374 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@](C)(O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1507636982 FSJTWPVSNRDOEE-ZQAYVECASA-N 466.648 2.230 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCN1CCOCC1 1507659409 UXBBFBQHIDHHNA-FQEVSTJZSA-N 456.591 2.145 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)C1CCCC1 1507797532 LWRCWROFQXHIAJ-IHPCNDPISA-N 467.636 2.361 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)Nc1c(C)cccc1C 1507820743 LPTXFHBPWKSLGZ-IBGZPJMESA-N 490.630 2.269 30 10 JEEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1507846624 ROKZNUMWDDWOCD-UHFFFAOYSA-N 481.645 2.381 30 10 JEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2ccc(-n3cccn3)cc2)CC1 1507882852 XBPGIXQDRRCKRG-SFHVURJKSA-N 455.588 2.473 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2nccs2)C1 1507915618 DNZWADFHYNJNGS-IAGOWNOFSA-N 496.659 2.248 30 10 JEEE C=CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1508048825 ZTIQUTNTHMKWMH-UWJYYQICSA-N 453.547 2.418 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC2(CCOCC2)C1 1508071807 MNTJEIFMUAOYNA-UHFFFAOYSA-N 472.977 2.171 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](N2CCOCC2)C(F)(F)F)C1 1508128094 OQSZCGGNLOGYCQ-RBUKOAKNSA-N 466.508 2.308 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)CC1CC(F)C1 1508141625 WCTDNMVZJQKJBU-UHFFFAOYSA-N 488.589 2.460 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1508144707 XQFPUIDBPNVVEB-GOSISDBHSA-N 452.621 2.386 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(Cl)cc2)nnc1N1CCC2(CC1)CNC(=O)C2 1508148580 JJPCENALLKKPQC-UHFFFAOYSA-N 494.017 2.218 30 10 JEEE CC(=O)N1CCN(CCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC[C@](C)(C#N)C2)CC1 1508274072 DODKYLYKRGXULO-HSZRJFAPSA-N 466.546 2.147 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@@]2(O)CCCC2(C)C)c1 1539042807 JIVIGFIBNHPKSN-CLOONOSVSA-N 464.570 2.227 30 10 JEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1539101892 LXUQNQKVIOSKSM-UHFFFAOYSA-N 462.535 2.297 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCSC1)[C@H]1CCS(=O)(=O)C1 1539206909 WTTVGPIBKYKVGK-QAPCUYQASA-N 461.569 2.233 30 10 JEEE C#CCN(CC)c1nnc(-c2ccc(OC)c(Br)c2)n1Cc1cn(C2COC2)nn1 1539359395 FDGSQQNOUXYVFR-UHFFFAOYSA-N 472.347 2.387 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cn4ccccc4n3)n2CC[S@@](=O)C(C)(C)C)CC1 1539484058 ARGHPIPOJFKKJM-PGUFJCEWSA-N 495.653 2.030 30 10 JEEE C=C(Br)Cn1c(Cc2ccsc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1539602852 BBLYNEMMZBNADT-UHFFFAOYSA-N 460.423 2.357 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H]1CC(=O)N(CCOC)C1 1540087812 BDWKCMJILNRNME-ROUUACIJSA-N 462.595 2.467 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1OCC[C@H]1C 1540146308 CQINVGXDLKNANV-BHIYHBOVSA-N 481.644 2.290 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)c1cccc(Cl)c1 1540201226 QTDUGYBZBYKMKX-KKSFZXQISA-N 469.007 2.380 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1540874683 OHFYSMQGDUKGMM-MOPGFXCFSA-N 452.559 2.024 30 10 JEEE CC(=O)N1CC[C@@H](CN(C)c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)C(C)(C)C)C1 1540946348 AQECUZZKFOJDMO-FQEVSTJZSA-N 481.601 2.196 30 10 JEEE CC[C@H](C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1545691392 AMUGWFFEUYNPQM-PXNSSMCTSA-N 451.575 2.474 30 10 JEEE CN(C)C(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)c2ccco2)CC1 1552680404 FDEHLFHBDXXXGC-UHFFFAOYSA-N 461.526 2.241 30 10 JEEE COc1ccccc1OCc1nnc(N2CC[C@](F)(C#N)C2)n1CCNC(=O)c1ccco1 1555101093 CJJSMBVBYPGREV-QFIPXVFZSA-N 454.462 2.331 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2CC2(O)CC(OCC)C2)c1 1587697151 KSFPKXDNRYMDQK-UHFFFAOYSA-N 474.565 2.250 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 1588074133 JUHRFPXJAIMRON-IBGZPJMESA-N 454.575 2.234 30 10 JEEE C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C(C)C)C1 1589405555 RVXDKRBSYAQRHC-GJZGRUSLSA-N 462.414 2.002 30 10 JEEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 1593636923 USDZGJLAWMGDFJ-NLWGTHIKSA-N 461.636 2.009 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C)C1)C(C)C 1595170857 KWXHZMRMVIRRNS-XUVXKRRUSA-N 451.637 2.104 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@]1(C)OCCc2sccc21 1595303555 VCXRJYGBMNEWJT-HRAATJIYSA-N 466.629 2.369 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CCC[C@@H](CNC(C)=O)C1 1595517487 ZHMVQYWCSCHTHU-INIZCTEOSA-N 475.391 2.362 30 10 JEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ccc(=O)n(Cc2cccc(F)c2)c1 1603384984 BEMOUVUVSKJXIP-OAHLLOKOSA-N 454.483 2.213 30 10 JEEE CCOC(=O)C1([S@@](C)=O)CCN(C(=O)COc2ccc(C#N)c(Br)c2)CC1 1636888573 HMMPXHKRLHIVKR-HHHXNRCGSA-N 457.346 2.002 30 10 JEEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2cccc3c2CCN3C(=O)C(F)(F)F)c1 1645906276 REYLCUGLMYVGCA-UHFFFAOYSA-N 451.426 2.302 30 10 JEEE CCn1cc([C@@H]2C[S@@](=O)CCN2S(=O)(=O)c2cccc(Br)c2C#N)cn1 1663117601 FVIQLMNBASMQGI-MQNRADLISA-N 457.375 2.031 30 10 JEEE N#Cc1cc(F)ccc1N1CCN(C(=O)N[C@@H](Cc2ccccc2)CN2CCOCC2)CC1 1684759114 FCZHLBKIRMPMEE-QHCPKHFHSA-N 451.546 2.472 30 10 JEEE C#Cc1ccc(CNC(=O)N2CC[C@H](N3C(=O)O[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]43)C2)cc1 1686526351 XQMXNGAMSWFSPG-ZCNNSNEGSA-N 454.527 2.392 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc(Br)cc1 1689828278 MSTSLVRZRTZWIR-ZIAGYGMSSA-N 454.394 2.351 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCSCc1ccccc1 1690077501 PYWREOULELPJFD-IBGZPJMESA-N 463.629 2.004 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@@](C)(O)CCOC)CC1 1690139627 VEFKVMSEXKZRRI-DEOSSOPVSA-N 490.004 2.360 30 10 JEEE C=C(C)Cn1c(COc2ccccc2F)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1690295658 HLXAIPPHSPIPBZ-UHFFFAOYSA-N 451.506 2.393 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](OCCC)CC1 1690663504 YUTWQTFKFMECRM-LJQANCHMSA-N 475.615 2.436 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N(C)Cc1ccc(N2CCOCC2)cc1 1690673263 RZWJWTZIYWZQKY-UHFFFAOYSA-N 461.570 2.039 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](NC(=O)CC)C1 1690678015 IJGAYLGEUVOQLO-MSOLQXFVSA-N 489.621 2.147 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1690720652 OXUVFDGZGQVRSG-SFHVURJKSA-N 471.583 2.192 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCCN(C2CCCC2)CC1 1690727197 WUGVIFRQHSBGMV-UHFFFAOYSA-N 458.632 2.319 30 10 JEEE CC(=O)N1CCC[C@@H](Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCC(C#N)CC2)C1 1690803959 HYHVDPIXIRIDMZ-LJQANCHMSA-N 470.599 2.347 30 10 JEEE CC(C)OC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCN(C)C2)CC1 1692636252 CXXSNECGMIGRRN-DEOSSOPVSA-N 454.575 2.189 30 10 JEEE CCOc1ncccc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1696172771 GLQCWXAEAVWRJG-LJQANCHMSA-N 495.609 2.424 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCOC2)c1 1705503672 BEQLORQIZOPHSZ-SFHVURJKSA-N 459.510 2.018 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](c2nc(C)c(C)s2)C1 1705535088 ZYVZCBKODAACKY-OALUTQOASA-N 492.671 2.482 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1)[C@H]1CCS(=O)(=O)C1 1705558902 LJIOYWNDMRWDSA-OAGGEKHMSA-N 475.537 2.337 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1csc([C@H](C)OC)n1)[C@@H]1CCS(=O)(=O)C1 1705566471 OOHKNGYALTUCAG-GOEBONIOSA-N 460.585 2.112 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H]1CC[C@](C)(CC)O1)[C@H]1CCS(=O)(=O)C1 1705568941 AZKSVFCHTUYRII-JTAQYXEDSA-N 457.600 2.238 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1C[C@](O)(c1ccccc1)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1705569477 HOAFAZOGFHLZSY-NQIIRXRSSA-N 482.528 2.307 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1CCc1ccc(OCC(F)(F)F)nc1 1705572007 OGZKTVLPILHPJC-UHFFFAOYSA-N 460.460 2.166 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)CCCC(=O)NC 1705700824 YWWJFPGFZNFGRF-XLIONFOSSA-N 489.646 2.182 30 10 JEEE C=C(C)COCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1705730747 NRDMSWVGLRSCML-RUZDIDTESA-N 498.584 2.370 30 10 JEEE C=C(Cl)Cn1c(Cc2cccnc2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1705756688 KTVPPCGDCXMHSL-LAUBAEHRSA-N 458.010 2.395 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCCN(C(C)C)C2)CC1 1705782100 OWLAWDYPAXZRMT-SFTDATJTSA-N 480.679 2.134 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCOC(C)(C)C1 1705902742 JGGZTHXBIKXNFS-QGZVFWFLSA-N 462.595 2.310 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1705905025 GSRVMJRMLZVEAO-FQEVSTJZSA-N 476.585 2.075 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCN2CCN(C(C)=O)CC2)C1 1705928339 DIZKLTMCLOCSRC-JOCHJYFZSA-N 489.020 2.456 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 1705931844 CHZSAPDWUOZNOB-KRWDZBQOSA-N 493.634 2.021 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1705934998 DGXIZXSRVADURG-FYYLOGMGSA-N 487.670 2.325 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(F)c(C)c1)[C@H]1CCS(=O)(=O)C1 1722372036 OGVHLTYYMFDZRV-FQEVSTJZSA-N 470.574 2.262 30 10 JEEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1C[C@@]1(C)CCCS1)[C@H]1CCS(=O)(=O)C1 1722372136 QEGHNVXJPFMJSV-HRAATJIYSA-N 493.680 2.182 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCC(=O)N1CCOCC1 1722389506 JCMUFEKNEMIRJP-LJQANCHMSA-N 453.518 2.269 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(C[S@](C)=O)cc1 1722397321 IWHLTDQDPZNUNB-XIFFEERXSA-N 463.563 2.396 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@H]2CC=CCO2)CC1 1722436474 HOUHRBSNKZJCSK-SFTDATJTSA-N 470.618 2.493 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H](CC)OC)CC1 1722443695 ZLEQYDLDOYBFCJ-LJQANCHMSA-N 455.559 2.353 30 10 JEEE C#CCSCCn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1722460885 MHBCAKMQMOELSY-HXUWFJFHSA-N 457.575 2.202 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1722502023 HORNESNESKIZAP-KNKQGSTJSA-N 458.607 2.075 30 10 JEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccccc2Cn2cccn2)CC1 1722560362 XUIGQCPIFXCYAZ-SFHVURJKSA-N 455.588 2.338 30 10 JEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 1722617239 IHECARATVDIFQR-VQTJNVASSA-N 477.635 2.232 30 10 JEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1oc(CCC)nc1C)C1CC1 1722650785 KYFTXMGKBXLIFG-GOSISDBHSA-N 464.592 2.063 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC[C@H](Oc2ncccc2F)C1 1722700824 WGEHZEDKKQOUSN-SFHVURJKSA-N 451.506 2.148 30 10 JEEE C=CCS(=O)(=O)CCn1c(CSc2ccccc2OC)nnc1N1CCN(C(C)=O)C[C@@H]1C 1722731409 JXFZWJHAGFZYIC-KRWDZBQOSA-N 493.655 2.237 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H](C)N1CCN(CC)CC1 1740553280 ZWTHCSHEZAWDII-UXHICEINSA-N 476.629 2.159 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2C[C@@H](C)N2CCN(CC)CC2)c1 1740562435 KACXAIOZCIXKAV-FYYLOGMGSA-N 493.656 2.254 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1CCCc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1740623210 PXORGNRDLWPYOM-LJQANCHMSA-N 454.531 2.134 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1nc(C)c(C)s1)[C@@H]1CCS(=O)(=O)C1 1740624943 LKLYCPXSISMAPT-GOSISDBHSA-N 456.597 2.012 30 10 JEEE C#CCN(CC#C)c1nnc(CCc2ccc(OC)cc2)n1Cc1ccc(N2CCOCC2)nc1 1740643695 QWKRMZVKVHGMCE-UHFFFAOYSA-N 470.577 2.425 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H](c1ccc(C)o1)N1CCOCC1 1740644940 ZTPMWEPUOCZYBY-XJUOHMSHSA-N 467.570 2.050 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCc2nccc(C(F)(F)F)n2)CC1 1740690429 UPJFZYNWURINNV-UHFFFAOYSA-N 478.523 2.003 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@H](C)C1 1740752915 CMKHNUQDRDIZTQ-DSKINZAPSA-N 475.615 2.402 30 10 JEEE C=CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CCN1CCOC(C)(C)C1 1740940467 HJHFRTIDVUQAIV-UHFFFAOYSA-N 467.574 2.344 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(C)(C)O 1740941839 UOFLVEBMJVINMP-KRWDZBQOSA-N 453.584 2.386 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1 1740957734 YXAJGYYPFGUSIE-MRXNPFEDSA-N 470.578 2.167 30 10 JEEE C=CCNC(=O)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CC[C@@H](C)[C@@H]1C 1740962699 LSZLNQJWVUZKQQ-RTWAWAEBSA-N 451.619 2.180 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1740993396 ZXAMETJKWLCPMC-GOSISDBHSA-N 458.563 2.336 30 10 JEEE C#CCCCCn1c(N2CCN(c3nccnc3C#N)C[C@H]2C)nnc1[C@]1(OCC)CCOC1 1748731191 WUTGXGZQWVBGIR-DVECYGJZSA-N 464.574 2.110 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H](C)c1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 1748811533 IFONGJDLRJHHHP-NQIIRXRSSA-N 452.584 2.417 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@H](c1ccccc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1748811796 LOTWBMOSESILFE-RBBKRZOGSA-N 466.611 2.213 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1C[C@H](C)CNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1748821274 OBEUIFMFGQQGTJ-SJLPKXTDSA-N 465.620 2.018 30 10 JEEE C#CCSCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1749040310 TXBOJZCVKBFIFC-GOSISDBHSA-N 485.017 2.421 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCCN1CCCO 1749056877 WMTYTOVXRUZEQE-HYBUGGRVSA-N 471.627 2.188 30 10 JEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(NC(=O)N(C)C)cc2)CC1 1749287141 XMYLWXFRCOTFSA-INIZCTEOSA-N 461.592 2.187 30 10 JEEE C=CC[C@H](Cn1c(CN2CCCC2=O)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)c1ccccc1 1749384670 FUGZXQDMSLSGFB-WOJBJXKFSA-N 457.600 2.384 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)NC(C)C)n1CCN1CCOC[C@H]1C 1749529290 BCBMVGQJZQVWBF-LJQANCHMSA-N 451.575 2.201 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2Cl)nnc1N(C)[C@H](C)CC(N)=O 1749657731 BXYVMJQJJGEUHF-LLVKDONJSA-N 469.771 2.363 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N1CCN(CC(C)C)CC1 1749723736 CFIDYXCKTWNDEI-UHFFFAOYSA-N 499.479 2.425 30 10 JEEE C[C@@]1(C#N)CCCN(c2nnc(COc3ccc(F)cc3)n2CC2(C(N)=O)CCOCC2)C1 1751276047 CKNCWMXOZQDIPJ-QFIPXVFZSA-N 456.522 2.408 30 10 JEEE Cc1nccn1CCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1751809588 IDANTQKTOWVZRG-HXUWFJFHSA-N 453.572 2.425 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CNC(=O)c3cccs3)n2C[C@@H](C)OC)c1 1760127828 NKFOJEDYMZYNKH-MRXNPFEDSA-N 466.567 2.361 30 10 JEEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)CCN1CCOC(C)(C)C1 1760152699 WAJXYDOKGMVGNE-UHFFFAOYSA-N 473.647 2.199 30 10 JEEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(c2cnn(C)c2)CC1 1760154270 CFTMPCYHSNCXMG-HXUWFJFHSA-N 484.605 2.060 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CCCO[C@@H]1C(C)C)[C@@H]1CCS(=O)(=O)C1 1760184148 VTWZEEGSHRXBNM-CEWLAPEOSA-N 493.674 2.274 30 10 JEEE C#CCN(c1nnc([C@H]2COc3ccccc3O2)n1CC(C)(C)CCOC)[C@H]1CCS(=O)(=O)C1 1760186940 SCTYRMRWQSQLKX-GHTZIAJQSA-N 488.610 2.480 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCO[C@H]2C(C)C)CC1 1760261010 IULJZZZHWGQWEM-RXVVDRJESA-N 456.616 2.086 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 1760315441 FOCHVSBKOBTOBC-KNBMTAEXSA-N 490.586 2.340 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)CCNS(C)(=O)=O 1760321046 AYBNLLPSTGWYKJ-YLJYHZDGSA-N 468.023 2.489 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C2OCCO2)c1 1760336557 BTTPOPMQISSKAN-FQEVSTJZSA-N 491.614 2.107 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1760342986 SHLJYJNLNUYYJB-DENIHFKCSA-N 488.658 2.319 30 10 JEEE C=CCCOCCn1c(N2CCN(C(=O)N3CCCC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1760452356 AHYASMSSAFOXFX-DEOSSOPVSA-N 476.622 2.249 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC(=O)N2CCOCC2)C1 1760537648 PPXLXCCADRIZBC-PXNSSMCTSA-N 459.522 2.197 30 10 JEEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 1760560056 OCMYVEJYYKOEOG-HNNXBMFYSA-N 488.680 2.301 30 10 JEEE C=CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCCN(C(C)=O)CC1 1760564180 RPDCZPPLWSWDBM-UHFFFAOYSA-N 477.660 2.216 30 10 JEEE CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)CN(C)C)CC1 1762053986 DDCNFBSGKYOJTA-FQEVSTJZSA-N 480.661 2.441 30 10 JEEE CCC[C@H](C)NC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cnnn2C)C1 1765542809 FYJSRFNXAXCOBL-AZUAARDMSA-N 491.600 2.427 30 10 JEEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC[C@@H](C)N2CCCCC2)CCO1 1767712195 GPIQRDHUFSRSNC-NQIIRXRSSA-N 451.575 2.032 30 10 JEEE CS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCCCCC[C@@H]21 1771368383 CPUSCPIQVGPCAL-ICSRJNTNSA-N 458.588 2.437 30 10 JEEE O=C(C1=C(O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1cccc(O)c1)c1ccc2c(c1)OCO2 1862626228 YDXNBNHBLQCEBQ-JOCHJYFZSA-N 466.490 2.422 30 10 JEEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1cccc([N+](=O)[O-])c1 1862630703 ZZXKQZCLPLLKSN-LJQANCHMSA-N 453.407 2.038 30 10 JEEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(O)c([N+](=O)[O-])c2)c1 1862706336 UGWNDQBBBUBZPG-NRFANRHFSA-N 483.477 2.220 30 10 JEEE COc1cc([C@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2CCNC(C)=O)ccc1O 1862738094 SMZKNCWKAJXDED-IBGZPJMESA-N 455.423 2.023 30 10 JEEE C#CCOc1cn(C[C@H](c2ccc(O)cc2)N(C)C)c(CN2CCN(C(=O)OCC)CC2)cc1=O 1870561363 JZKDGVDLNITBJO-HSZRJFAPSA-N 482.581 2.143 30 10 JEEE N#Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(N4C(=O)CCC4=O)cc3)CC2)cc1 1873864686 UEUVXNDXIWILBK-UHFFFAOYSA-N 466.519 2.251 30 10 JEEE C[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)C(=O)Nc1ccccc1C#N 1873868677 MLBPMOKCPHRKAJ-RDJZCZTQSA-N 458.515 2.241 30 10 JEEE NC(=O)CSc1nnc(CCc2ccccc2)n1/N=C/c1cc2c(cc1[N+](=O)[O-])OCCO2 1874402053 FZVWCONLGRKYTB-FSJBWODESA-N 468.495 2.202 30 10 JEEE CC(=O)NCc1nnc(SCc2nc(O)c3ccccc3n2)n1/N=C/c1ccc(O)c([N+](=O)[O-])c1 1874434412 DPDJBLNYZHCBII-NUGSKGIGSA-N 494.493 2.351 30 10 JEEE COCCc1nnc(SCC(=O)OCC(C)C)n1/N=C/c1cc2c(cc1[N+](=O)[O-])OCCO2 1874473999 HMNKDKOOAMKDRG-UFFVCSGVSA-N 479.515 2.320 30 10 JEEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@H]1C(=O)N1CCC[C@H](COc2cc(C#N)ccn2)C1 1892001476 RDIOHIDWYPTHCZ-OALUTQOASA-N 473.555 2.029 30 10 JEEE CC1(C)OB(c2ccc(N3CCO[C@]4(CCCN(C(=O)C(F)(F)F)C4)C3)nc2)OC1(C)C 2241029486 HITVXEAHDWNQAB-HXUWFJFHSA-N 455.286 2.141 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H](O)CNC(=O)c1cc(Cl)ccc1B1OC(C)(C)C(C)(C)O1 2255541807 IIGXWNKHNOYKCY-AWEZNQCLSA-N 454.760 2.255 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC2(O)CN(C(=O)OC(C)(C)C)C2)s1 2255600754 SVHRXOXCRSMHFT-UHFFFAOYSA-N 452.382 2.067 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](NS(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)CO1 2255802741 DBZHFCKLDDUMQG-AWEZNQCLSA-N 474.410 2.018 30 10 JEEE CC(C)(C)OC(=O)N1CCN(c2nccc(B3OC(C)(C)C(C)(C)O3)c2F)[C@@H](C(=O)O)C1 2266073231 WKACTWNVBYGXKZ-CQSZACIVSA-N 451.304 2.030 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CC(F)(F)C1 2267143358 HAJGIFJQEFDASD-LBPRGKRZSA-N 456.299 2.083 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]1CNS(=O)(=O)c1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2267471392 SHPPNYGJLWIIID-XJKSGUPXSA-N 470.372 2.316 30 10 JEEE CC1(C)OB(c2scnc2C(=O)N2C[C@@H]3OCCN(Cc4ccccc4)[C@H]3C2)OC1(C)C 2267480824 GMESKAPVCWUUBN-ROUUACIJSA-N 455.389 2.168 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)s1 2267568491 RPEUQOZPAAPHIZ-QFIPXVFZSA-N 466.409 2.457 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CNC(=O)c2ccc(F)cc2B2OC(C)(C)C(C)(C)O2)C1 2281791514 ZCLPTNHIEYKSBK-KDOFPFPSSA-N 464.343 2.083 30 10 JEEE Cc1c(C(=O)N[C@@H]2C[C@H](C)CN(C(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281806670 LDXOYGDQKABLCH-GOEBONIOSA-N 462.400 2.403 30 10 JEEE C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)N(C(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)C1 2281952674 ZPIBOGGEFNIHLZ-QZTJIDSGSA-N 453.396 2.097 30 10 JEEE Cc1c(C(=O)N2C[C@@H]3C[C@H]3[C@@H]2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281978561 FOSDIIAXYOUXLJ-XHSDSOJGSA-N 460.384 2.013 30 10 JEEE CC1(C)OB(c2cc(C(=O)N3CCCN(Cc4ccccc4)CCOCC3)[nH]n2)OC1(C)C 2281979896 QXHACNNXHLXDKO-UHFFFAOYSA-N 454.380 2.074 30 10 JEEE Cc1nn(C)c(C(=O)N2CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2281981876 JRKPLWINBJIFLG-GDBMZVCRSA-N 462.400 2.403 30 10 JEEE COc1cccc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@@](C)(NC(=O)C(F)(F)F)C1 2282005533 NKVONRINIMBLRE-HXUWFJFHSA-N 456.270 2.278 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N=c2nc(CNC(=O)OC(C)(C)C)[nH]s2)n1 2282045410 WJSOKLLQIYUINP-UHFFFAOYSA-N 475.380 2.240 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H](O)C1 2282139011 RNFKAXFOOXBJGZ-SFHVURJKSA-N 460.380 2.348 30 10 JEEE C[C@H]1CN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1CCNC(=O)OC(C)(C)C 2282185470 HMBYSPTZNKKUBH-HOTGVXAUSA-N 460.384 2.399 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1CC[C@H]2NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2282185970 OCADMSXLQIWACN-BFYDXBDKSA-N 458.368 2.294 30 10 JEEE CC1(C)OB(c2ccc(S(=O)(=O)N3C[C@H]4CC[C@H]3[C@@H](NC(=O)C(F)(F)F)C4)s2)OC1(C)C 2282350277 KOVWEWLVAAUPHI-AVGNSLFASA-N 494.366 2.267 30 10 JEEE CCO[C@@H]1C[C@H](NC(=O)OC(C)(C)C)[C@@H]1NC(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1 2282519796 MKCDBABABWCKRX-KSZLIROESA-N 461.368 2.181 30 10 JEEE CC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2282577951 LPXMLSICLBCVHM-NVXWUHKLSA-N 462.400 2.485 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)[C@@]2(CCOC2)C1 2282622564 IFYOEKDGCXFDPX-CMJOXMDJSA-N 462.352 2.477 30 10 JEEE C[C@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)[C@H](C)[C@@H](C)N1Cc1ccccc1 2282699466 KGLFDWZABFKTLL-RCCFBDPRSA-N 453.396 2.238 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@](C)(CNS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282827977 GZTXTBLFBXKBSC-QFIPXVFZSA-N 481.424 2.306 30 10 JEEE Cc1nc(NC(=O)[C@@]2(C)CN(C(=O)OC(C)(C)C)CCO2)ncc1B1OC(C)(C)C(C)(C)O1 2283957474 YGGMXQRDRNXJCI-JOCHJYFZSA-N 462.356 2.049 30 10 JEEE CC(C)(C)OC(=O)N1CCC(O)(CC(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)CC1 2284067136 GLYALPSQWISUCE-UHFFFAOYSA-N 461.368 2.471 30 10 JEEE CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1C 2285198196 ONIHLLGAIIPZBB-SJORKVTESA-N 461.368 2.053 30 10 JEEE Cc1nc2ccccn2c1C(O)=C1C(=O)C(=O)N(CCN2CCOCC2)[C@@H]1c1cccc([N+](=O)[O-])c1 2296930274 LUGIIQWZEGSSAH-JOCHJYFZSA-N 491.504 2.305 30 10 JEEE COc1nc(OCCN(C(=O)OC(C)(C)C)C2COC2)ccc1B1OC(C)(C)C(C)(C)O1 2339825398 PIIHNLSLSOGADV-UHFFFAOYSA-N 450.341 2.404 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@H]2C[C@@H](NC(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)o3)C[C@H]21 2369090523 SNZQCAGPXRIZFD-ZMSDIMECSA-N 462.352 2.476 30 10 JEEE COc1c(C[C@@H]2CC(c3ccc(F)cc3)=NO2)c(C=NNC(N)=S)c2c(c1OC)OCO2 254394160 FNLUVNJAESGBSH-CYBMUJFWSA-N 460.487 2.474 30 10 JEEE COc1cc(NC(=O)COC(=O)CON=C(C)c2ccc3c(c2)OCO3)cc(OC)c1OC 254412446 UUHKXVZEVGMDOD-UHFFFAOYSA-N 460.439 2.364 30 10 JEEE CC(C)CCCN1C(=O)[C@H](CC(=O)NC2CC2)S/C1=N/Cc1ccc(S(N)(=O)=O)cc1 726403935 PADCPMWKCGMIEL-MLSMKVKPSA-N 466.629 2.239 30 10 JEEE N#CC(C(=O)N1CCCC1)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccc2c(c1)CCC2 729669902 VMVDNRMIMPAJCY-UHFFFAOYSA-N 481.581 2.161 30 10 JEEE O=C(O)C#CCNC(=O)c1cn(CCNC(=O)OCC2c3ccccc3-c3ccccc32)cn1 757470961 NIJJJGUMZTVQBE-UHFFFAOYSA-N 458.474 2.240 30 10 JEEE C=CCN(CC=C)C(=O)COC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 842152180 HKPTXNOPAFTXII-QGZVFWFLSA-N 471.373 2.346 30 10 JEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN[C@@H](c4ccc(F)cc4)C3)CC2)cc1 1154123747 HVSUYUHTDCBWNT-JOCHJYFZSA-N 456.543 2.271 30 10 JEEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)ccc2OC)n1 1271204721 RTSWMBSTRDIEPI-FQEVSTJZSA-N 458.946 2.458 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C(C)C 1286349982 RRMYQHVVMZQJFE-HXUWFJFHSA-N 490.586 2.348 30 10 JEEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1CC[C@H](C(F)F)N1CCOCC1 1286363058 NAWQJVQLGGCWGM-OAHLLOKOSA-N 471.350 2.472 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCN(CCC)C1)[C@@H]1CCS(=O)(=O)C1 1286383412 MLXBEZKGZZBBGI-RBBKRZOGSA-N 466.611 2.175 30 10 JEEE C#CCN(c1nnc(-c2cc(C)nc3ccccc23)n1CC(C)(C)C(=O)NC)[C@@H]1CCS(=O)(=O)C1 1286383988 ONZXCJQXFFCWER-GOSISDBHSA-N 494.621 2.201 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H](C(C)C)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1286386868 ITKLZOZDURBGPT-CTNGQTDRSA-N 458.632 2.031 30 10 JEEE C#CCN(c1nnc(COCC)n1C[C@H](C)Oc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1286396506 QAEZXVVUOCYXMV-WMZOPIPTSA-N 450.536 2.048 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H](C)CN1CCN(CC)CC1 1286406667 CXTOYGVDAVOWBZ-HSZRJFAPSA-N 470.625 2.477 30 10 JEEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1286536665 RHEFABUWQQDZKT-SFHVURJKSA-N 499.454 2.045 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1286549241 WUHYDHMTRDQDNX-NJYVYQBISA-N 471.606 2.116 30 10 JEEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCN1CCOC(C)(C)C1 1286716452 GLUGSPDOFLGBNJ-UHFFFAOYSA-N 461.636 2.280 30 10 JEEE C=CCN(CC=C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(S(C)(=O)=O)CCC1 1286755964 FIGKWBSKDZMNFI-UHFFFAOYSA-N 468.583 2.338 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 1286786351 CBJXHABAKYJPEK-UHFFFAOYSA-N 461.574 2.191 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@]2(CCSC2)C1 1286814519 BCHFNNCCUIPLCV-NRFANRHFSA-N 496.680 2.283 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[C@@](C)(C(=O)NC)C1 1286816957 JIQMWLWKNUELJH-OPAMFIHVSA-N 479.578 2.120 30 10 JEEE CC(C)C(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)N2CCOCC2)CC1 1287119723 DWSQQMYFRQTXRI-IBGZPJMESA-N 465.602 2.278 30 10 JEEE CC(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 1287718402 IABVEWGGLBZQQK-UHFFFAOYSA-N 460.604 2.350 30 10 JEEE CN(C)S(=O)(=O)c1ccccc1Cn1c(CC2CCCC2)nnc1N1CCO[C@@H](C#N)C1 1298096530 DBNXAPVOGCARBJ-IBGZPJMESA-N 458.588 2.038 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CC(=O)N(C)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 1300489594 PTFHZGYAHMVIEH-NRFANRHFSA-N 499.637 2.372 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1Cc1cccc(CN2CCO[C@@H](C)C2)c1)[C@H]1CCS(=O)(=O)C1 1300495018 BMZYACBZBYYETF-URXFXBBRSA-N 499.681 2.372 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1[C@H]1C[C@H](c2ccccc2Cl)C1 1300538898 VSROBQGXIOBYFJ-DBXWQHBBSA-N 488.013 2.456 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1CCN(CC)C1 1300559747 ZESPYJUHZCMELD-FQEVSTJZSA-N 467.643 2.351 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)CC1 1300729329 VZQJJLSGUGYAAX-QGZVFWFLSA-N 458.607 2.452 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(OC)cc3)n2Cc2c(C)noc2C)CC1 1300732204 ZCEZTQIJRFHXFU-UHFFFAOYSA-N 478.553 2.485 30 10 JEEE C#CCSCCn1c(N2C[C@@H](C)OC3(CCOCC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1300776186 FZRQXINLOOKQOQ-AUSIDOKSSA-N 464.632 2.459 30 10 JEEE C=C(Br)Cn1c(N2CCN(C(=O)[C@@H]3CCCO3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1300862709 CNAQIUKVUZWXEN-LAUBAEHRSA-N 498.422 2.055 30 10 JEEE C=CCCCCn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1301189712 DKIQWDNGYZUEQE-UHFFFAOYSA-N 470.593 2.345 30 10 JEEE C=CCCCn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1301229594 UPIFKBVWNOQLPC-UHFFFAOYSA-N 468.602 2.211 30 10 JEEE CC(=O)NC[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCCCC2=O)C1 1301871005 CDWQPBACBDKEIO-QFIPXVFZSA-N 493.612 2.484 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN1Cc1ccccc1 1301967727 FXWHSANFVSJIAG-HMXCVIKNSA-N 456.616 2.441 30 10 JEEE CC(C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1Cc1ccc(S(C)(=O)=O)cc1 1302685453 FFMXQIUSMKUJFN-QGZVFWFLSA-N 480.598 2.230 30 10 JEEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2ncn(C)n2)CCN1C(=O)OC(C)(C)C 1302878603 FCQMUVPBWRQSDR-INIZCTEOSA-N 463.546 2.439 30 10 JEEE COC(=O)C1(C#N)CCN(CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)CC1 1307774875 HEIGUAPIUPIYLH-KRWDZBQOSA-N 453.543 2.135 30 10 JEEE C#CCN(c1nnc(-c2cc(-c3ccccc3)on2)n1CCC(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 1358962791 XDDMDVMFAUTUEX-LJQANCHMSA-N 496.593 2.142 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1359303908 FJKXEOCVHWXMMD-GOSISDBHSA-N 475.615 2.214 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@@H](C(=O)OC)C1 1359305018 QTAZWKQTNAFMPO-CYBMUJFWSA-N 468.341 2.465 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2CC[C@H](N2CCOCC2)C(F)(F)F)C1 1359319196 UYLXXWITBUAISH-AEFFLSMTSA-N 467.496 2.170 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1C[C@@H](C)C[C@@H](C)C1 1359330911 GXFRDCZCIUTQLK-CALCHBBNSA-N 480.660 2.321 30 10 JEEE C=CCn1c(S)nc2cc(C(=O)NC[C@@H](O)CN3CCc4ccccc4C3)ccc2c1=O 1472569199 XCPTVJBVUQDNOI-LJQANCHMSA-N 450.564 2.020 30 10 JEEE CC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cnn(C)c2C)CCN1CCOC 1499781808 IDISWKWVXSTIOR-QFIPXVFZSA-N 478.601 2.366 30 10 JEEE CS(=O)(=O)CC1(Cn2c(COc3ccccc3F)nnc2N2CC[C@](F)(C#N)C2)CC1 1505126552 FLIMTZHIUSLKJH-FQEVSTJZSA-N 451.499 2.263 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OC)c(Br)c1 1507514974 FTYHFIHVOLQQKJ-QWHCGFSZSA-N 470.393 2.166 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1CCS(=O)(=O)NC(C)C 1507523526 PIFUKFCBLZGMDE-AWEZNQCLSA-N 454.394 2.493 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCCN(CC)S(C)(=O)=O 1507526429 BUJOGSDXWDNLDS-GOSISDBHSA-N 455.588 2.260 30 10 JEEE C#CCCCn1c(N2CCN3C(=O)OC[C@]3(C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1507598094 ARXUJXITCCEGLJ-MFEFFIJZSA-N 458.563 2.493 30 10 JEEE C#CCN(c1nnc(C)n1CCc1ccc(OC)c(OC)c1Cl)[C@H]1CCS(=O)(=O)C1 1507626798 OZHWBYQKJAMVBM-INIZCTEOSA-N 452.964 2.127 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CCCCN1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1507635670 UNSGWLNDUQKLHH-HSZRJFAPSA-N 484.670 2.403 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)Cc1cccs1 1507671742 PBARHPCWZQLTMD-QUCCMNQESA-N 475.640 2.014 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)c(OC(F)F)c1 1507690031 ORKUIOPXHRNAEJ-HNNXBMFYSA-N 454.499 2.298 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc(OC)c(F)c2)CC1 1507736071 KSDNDQCGNAWZSD-SANMLTNESA-N 499.587 2.481 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(N2CCOCC2)CCCCC1 1507811489 AOEMHZZZNWVRCK-LJQANCHMSA-N 468.668 2.326 30 10 JEEE C=CC[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1)c1ccccc1 1507928586 KSWVGWXENSFUAD-TXTKFYIRSA-N 488.589 2.413 30 10 JEEE C=CCN(CC=C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(CS(C)(=O)=O)CC1 1508017552 DKORACLBBOJSLU-UHFFFAOYSA-N 468.583 2.195 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CCN1CCOC(C)(C)C1 1508148802 KJAVTQKLPWMCSD-WOJBJXKFSA-N 497.706 2.345 30 10 JEEE C=CCSCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1508149816 CXLLURKMICNQQW-QGZVFWFLSA-N 488.614 2.446 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1Cc1ccc(OC(C)C)nc1 1509683120 IBBMGXVIRJEPGG-UHFFFAOYSA-N 489.584 2.240 30 10 JEEE CCN1CCN(C[C@@H](C)Cn2c(C)nnc2N2CCN(c3ccc(C#N)cc3F)CC2)CC1 1515935292 CJNNCJTZGTVVOK-LJQANCHMSA-N 454.598 2.198 30 10 JEEE CN(C)C(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C2CCCC2)CC1 1516963923 FZTPLFVPONLVMU-UHFFFAOYSA-N 451.575 2.272 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCc1sccc1C)[C@H]1CCS(=O)(=O)C1 1539203955 WRRHWSCQUCDMHK-KRWDZBQOSA-N 484.607 2.165 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(OCC)c(OC)c2)n1CC1(S(C)(=O)=O)CCC1 1539252139 ZKWLXOPQFVGPGH-UHFFFAOYSA-N 456.568 2.393 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccccn2)n1CC(=O)N1CCN(c2ccccc2)CC1 1539311308 IAJMEIOKPMPDID-UHFFFAOYSA-N 453.550 2.152 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)N2CCCC2)n1CC(=O)NCc1ccco1 1539383942 QAHSVSXZUZTTOJ-UHFFFAOYSA-N 464.501 2.202 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2[C@@H]2C[C@H]2C(C)C)CC1 1539434377 KDNCLILIAPZVRM-LEWJYISDSA-N 456.616 2.168 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H]2CN(CC(C)C)CCO2)CC1 1539434936 YHHOZJGIZQGHDH-XMMPIXPASA-N 482.629 2.074 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@](C)(O)c2ccco2)CC1 1539484121 CVFACDZHXPTZEG-QHCPKHFHSA-N 468.583 2.100 30 10 JEEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(OCCN2CCCC2)CC1 1540006802 WVGIEPYQBSJZSH-LJQANCHMSA-N 451.637 2.228 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H](n2cncn2)C1 1540863024 NYUMXNWKGLSGIV-AEFFLSMTSA-N 454.510 2.292 30 10 JEEE C=CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1540911333 QYABCDOLQLDDMK-OAHLLOKOSA-N 461.979 2.385 30 10 JEEE CC(=O)N1CCN(CCn2c(-c3ccccc3Br)nnc2N(C)C[C@H](C)C#N)CC1 1541005751 YBDWLNPPQMUVAE-MRXNPFEDSA-N 474.407 2.468 30 10 JEEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CC[C@@](F)(C#N)C3)n2CCc2ccc(Cl)s2)C1 1555812333 DDTKDCBNBXQALA-KBXCAEBGSA-N 488.998 2.011 30 10 JEEE N#Cc1cccc(-c2nnc(N3CCC(C(=O)NCC(F)(F)F)CC3)n2C[C@H]2COCCO2)c1 1555986014 DDACSUVFZIIJLO-SFHVURJKSA-N 478.475 2.127 30 10 JEEE C=CCNC(=O)c1cccc(S(=O)(=O)NCCCS(=O)(=O)c2ccc(Cl)cc2)c1 1561613365 YKOJQNAUVYCJRL-UHFFFAOYSA-N 456.973 2.398 30 10 JEEE C#CC[C@@]1(C(=O)NCc2ccc(C(=O)NCCN(C)C)cc2)CCCN1C(=O)OC(C)(C)C 1565681914 MIXIRIPXICINEI-VWLOTQADSA-N 456.587 2.387 30 10 JEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1587706461 PJLHIUWJJCHXGH-ROUUACIJSA-N 482.651 2.385 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1CC1(COC)CCC1)[C@@H]1CCS(=O)(=O)C1 1588040210 JJVNDISEVDIMNN-LJQANCHMSA-N 488.610 2.406 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCN(C)Cc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1588054245 MKQFJBWEHVPYST-FCHUYYIVSA-N 489.617 2.418 30 10 JEEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1C[C@H](OC)[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1588064510 JKFBCPWGHPOVJD-JBACZVJFSA-N 484.626 2.204 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CCOc1ccccc1C)[C@H]1CCS(=O)(=O)C1 1588064777 PDOASSLKXMXHIZ-NRFANRHFSA-N 465.579 2.278 30 10 JEEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1CC1=CCCOC1)[C@H]1CCS(=O)(=O)C1 1588069057 GIFAXXWFQUVRAX-NRFANRHFSA-N 470.595 2.447 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)c1ccc(F)cc1 1588233187 CIQGQNWKRZZZSH-OAQYLSRUSA-N 487.601 2.191 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(CC)cc3)n2CCCN2CCOCC2)CC1 1588899443 PLNKHNBTPFWZHA-UHFFFAOYSA-N 464.614 2.196 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H](OC)C2CC2)CC1 1588899630 UBVHLIIVBCTYGU-JOCHJYFZSA-N 467.570 2.353 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2nc(C(C)(C)C)cs2)CC1 1588923875 OTZTZHVSHVYOFO-UHFFFAOYSA-N 466.615 2.447 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cn4ccccc4n3)n2C[C@H](C)N(CC)CC)CC1 1588955070 PSEXTGLSNHUUSU-FQEVSTJZSA-N 476.629 2.213 30 10 JEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](c2nc(C)cs2)C1 1588984701 JMDBFASCKWKVMU-CVEARBPZSA-N 468.674 2.404 30 10 JEEE C#CCSCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCO[C@H](C#N)C1 1589059634 HEKXFHKNSIFQPQ-ZWKOTPCHSA-N 460.604 2.488 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1589185717 HQXHHKQZCCXMTE-RPWUZVMVSA-N 488.610 2.283 30 10 JEEE C=C(C)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1593625323 PVQJBTNVBPEHCR-KRWDZBQOSA-N 485.614 2.111 30 10 JEEE C=C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCS(=O)(=O)N2CCSCC2)CC1 1594070600 HWWICQIJHDKIIR-UHFFFAOYSA-N 493.655 2.497 30 10 JEEE CCc1nc(CCn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)no1 1613870836 AMMXPGGTMSFTMX-SFHVURJKSA-N 498.613 2.113 30 10 JEEE COCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1619562523 CCSWLVYQZRRCAV-VQIMIIECSA-N 476.603 2.010 30 10 JEEE N#CCCN(CC1CC1)c1nnc(C(=O)N2CCCC2)n1CCS(=O)(=O)c1ccccc1 1620358136 BYKAFKUGECFOGB-UHFFFAOYSA-N 456.572 2.118 30 10 JEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)OC(C)(C)C 1629743467 ABABFUQXNKXCHY-OXQOHEQNSA-N 457.552 2.294 30 10 JEEE N#Cc1ccncc1N1CCN(C(=O)Nc2cccc(S(=O)(=O)C3CCOCC3)c2)CC1 1672256757 AMIZBORUAFVSDU-UHFFFAOYSA-N 455.540 2.260 30 10 JEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C)N(Cc2ccccc2)CC1 1689912805 AZTVUFHOMVENDN-UXHICEINSA-N 458.632 2.403 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1CCCN1CCCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1689986124 JDDFYQOXWZZSHC-CTNGQTDRSA-N 456.616 2.231 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H](C)COCc1ccccc1)[C@H]1CCS(=O)(=O)C1 1689989149 BKAAFXDZVFJGEA-FCEUIQTBSA-N 472.611 2.262 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@](C)(O)c1ccco1)[C@@H]1CCS(=O)(=O)C1 1689998089 BIEZBOSPGQBCEO-RTCJPFEHSA-N 490.626 2.324 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H]1CCCCS1(=O)=O 1690040975 VVDSZYUEESAIOR-IBGZPJMESA-N 454.552 2.147 30 10 JEEE C#CCN(CC)c1nnc(-c2cc(Br)c[nH]2)n1Cc1cccc(OCC(N)=O)c1 1690062419 OLCUOCOVORVDFC-UHFFFAOYSA-N 457.332 2.408 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2Cc2c(CC)nn(C)c2OC)CC1 1690139998 HWSZEVDFDNGFLK-UHFFFAOYSA-N 491.596 2.272 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2nccc(OCC)n2)CC1 1690228685 CSCATVHIECRJHZ-OAHLLOKOSA-N 464.368 2.206 30 10 JEEE C=C(Cl)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1690352486 GACKGFMCNQJCLN-QFIPXVFZSA-N 469.933 2.296 30 10 JEEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2cccc(Cl)c2)CC1 1690470585 GBLFEXXKJURILW-MRXNPFEDSA-N 481.022 2.470 30 10 JEEE C=CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H](C)CN1CCN(CC)CC1 1690524048 YFPBAVPSAOTULO-GOSISDBHSA-N 450.591 2.490 30 10 JEEE CC(C)N(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1692468396 BIOPXLXAPCEZTO-QFIPXVFZSA-N 465.602 2.375 30 10 JEEE CNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N(C)C2CCCCC2)CC1 1696958329 CQJRAXKUQQADCF-UHFFFAOYSA-N 493.612 2.482 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](C(C)C)N1CCOCC1 1705489937 ZLODBHDATIYQPJ-UYAOXDASSA-N 473.647 2.053 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1cc(Cl)ccc1OC)[C@@H]1CCS(=O)(=O)C1 1705565328 GVFZEPCSMOXTBX-GOSISDBHSA-N 474.974 2.016 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1(N(C)C)CCOCC1 1705590878 YUIYLKPSWSSRRU-UHFFFAOYSA-N 497.669 2.120 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3OCC)n2CCN2CC=CCC2)CC1 1705642979 OFSMGVQISIBGQN-UHFFFAOYSA-N 450.587 2.273 30 10 JEEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@@H](c2nnc3n2CCC3)C1 1705651576 BLJAXLAAUNBHQW-QGZVFWFLSA-N 470.647 2.485 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1c(Cl)c(C(F)(F)F)nn1C 1705843797 NTZQDFRRKZRIHS-SNVBAGLBSA-N 452.890 2.256 30 10 JEEE C=CCN(c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)N1CCOCC1)C1CC1 1705853693 DNBFSCVVLSVPLH-QUCCMNQESA-N 476.622 2.462 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC(Cn2cncn2)CC1 1705897884 WBJBJDLCGAMMJR-QGZVFWFLSA-N 468.537 2.368 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1705935000 DGXIZXSRVADURG-GMAHTHKFSA-N 487.670 2.325 30 10 JEEE C=CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CC(=O)NC(C)C 1705946529 KAPXWGXZDGLTJU-QGZVFWFLSA-N 482.651 2.467 30 10 JEEE CC(=O)N[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2C[C@H](C)O[C@H](C)C2)C1 1706026249 ARGQGAGJDRNNEV-MZKRTTBSSA-N 495.628 2.333 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@H](Cn2c(-c3cnccn3)nnc2N2CCO[C@@H](C#N)C2)C1 1706157645 AUAFAOIDRJHBPR-IRXDYDNUSA-N 454.535 2.111 30 10 JEEE C[C@@](O)(Cn1c(-c2cccc(C#N)c2)nnc1N1CCCN(S(C)(=O)=O)CC1)c1cccs1 1706897866 HMZXDBJSACIIOT-JOCHJYFZSA-N 486.623 2.258 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2CCN2CCSCC2)c1 1722305107 MMGUOMSMTZLISS-UHFFFAOYSA-N 461.595 2.445 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CCN2CCC[C@H](C)C2)c1 1722305270 FTHYJRJMOIFRAR-FQEVSTJZSA-N 477.613 2.302 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1CCN1CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1722364728 JAMVACMMCWQJHL-IFMALSPDSA-N 485.654 2.236 30 10 JEEE C#CCN(c1nnc(C2CCCC2)n1Cc1ccc(CS(C)(=O)=O)cc1)[C@H]1CCS(=O)(=O)C1 1722365659 DWOQFVXZMWRBQK-NRFANRHFSA-N 490.651 2.155 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCc1scnc1C)[C@H]1CCS(=O)(=O)C1 1722367441 WHCGSBDODIOZLN-KRWDZBQOSA-N 476.653 2.268 30 10 JEEE C#CCN(c1nnc(CCOc2ccccc2)n1C[C@@]1(O)CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1722371839 MCPBEOIICCHBSC-CPJSRVTESA-N 486.638 2.468 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3OCC)n2CCN2CCOC(C)(C)C2)CC1 1722442468 XUUXZMWJUFUJEX-UHFFFAOYSA-N 482.629 2.122 30 10 JEEE C#CCSCCn1c([C@H](C)CC)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1722451494 KAORGUUINWKSHQ-TVFCKZIOSA-N 497.687 2.285 30 10 JEEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1 1722519396 XMNNTLIIZROGGO-IKGGRYGDSA-N 468.624 2.300 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc([C@@H](C)O)cc2)CC1 1722581589 JQMDIJPKIIKLBQ-DYESRHJHSA-N 475.615 2.115 30 10 JEEE C=CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1722609430 CCDFRBAHSZRXCW-HNNXBMFYSA-N 468.649 2.382 30 10 JEEE C=CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1722612439 SJYUYNVBEWSTKI-UHFFFAOYSA-N 485.618 2.137 30 10 JEEE C=CCN(CCOC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1Cc1cnnn1C 1722680858 BPBGHZPKNGRZLL-UHFFFAOYSA-N 460.583 2.208 30 10 JEEE C=CCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1722684393 PHKQOGAUAGQYJH-OAHLLOKOSA-N 475.347 2.375 30 10 JEEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@H](C(F)(F)F)C1 1722697668 OQTGBTAUCPEHSO-AWEZNQCLSA-N 485.536 2.319 30 10 JEEE C[C@H]1CCCN(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)C1 1726577610 GICQSPVOJCIPPK-OALUTQOASA-N 471.631 2.019 30 10 JEEE CN(C)S(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](C[C@H]2CCOC2)C1 1729342229 DIJZNXCYNSIHLF-WOJBJXKFSA-N 472.615 2.351 30 10 JEEE COC1(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)CCCC1 1729952703 HVJNJUVZQFYSMS-SFHVURJKSA-N 459.572 2.311 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC(O)(CC)CC)[C@@H]1CCS(=O)(=O)C1 1740619466 OUWGDGGSZVTESC-GOSISDBHSA-N 461.544 2.031 30 10 JEEE C#CCN(CCOC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H](C)N1CCOCC1 1740687060 ZSKKOODSJBWLFY-FQEVSTJZSA-N 490.649 2.199 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCS(=O)(=O)C1 1740769237 HNUACFBWXDFHRI-QGZVFWFLSA-N 481.644 2.033 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 1740794416 AAZDOTBOTWZRMH-WOJBJXKFSA-N 462.620 2.428 30 10 JEEE C=CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1ccc(C)n(C)c1=O 1740940571 LATWGGZYQGUPCZ-UHFFFAOYSA-N 489.580 2.369 30 10 JEEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@@]2(CCOC2)C1 1740960744 ZHIYARPFPSWFQV-XMMPIXPASA-N 474.606 2.312 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCN(c2nc(C)c(C)s2)CC1 1740993284 WDYUGZGPSMXWCJ-UHFFFAOYSA-N 487.655 2.265 30 10 JEEE CC(C)CC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(c3cc(C#N)ccn3)CC2)CC1 1741424873 BCAMJLJDPFSZSM-SFHVURJKSA-N 486.646 2.308 30 10 JEEE CC(C)N1CCC[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(CC#N)CC2)C1 1741918252 ALSUTQURFYURNI-HKUYNNGSSA-N 451.641 2.139 30 10 JEEE C[C@H]1CC[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(CC(=O)N(C)C)CC2)C1 1742998478 GIGHBMNLSYZRHI-PZJWPPBQSA-N 465.602 2.375 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](c2ccsc2)N(CC)CC)CC1 1748971444 PTUMLJUVEWDOKL-OAQYLSRUSA-N 469.659 2.414 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(F)ccc3Br)n2CC(=O)NC(C)C)CC1 1748978275 JMFUPBAUOBLHJE-UHFFFAOYSA-N 463.355 2.127 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OC)n2Cc2cccnc2OC)CC1 1749019107 LFWKFUBPXLCGPE-UHFFFAOYSA-N 490.564 2.283 30 10 JEEE C#CCSCCn1c(-c2cnccn2)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1749032408 GOHRBBOGOJPYEK-CALCHBBNSA-N 455.588 2.405 30 10 JEEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1ccccc1F)C1CC1 1749038413 RSDANQVCBKHORT-HXUWFJFHSA-N 493.630 2.286 30 10 JEEE C=C(Cn1c([C@H]2CCCCO2)nnc1N1CCN(CC(=O)NCCOC)CC1)c1ccccc1 1749244569 QJBMKIHJWAHLOY-JOCHJYFZSA-N 468.602 2.118 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC(F)(F)CO1 1749537503 ISVOKPBYFFCZGB-OALUTQOASA-N 497.568 2.228 30 10 JEEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(N2CCOCC2)c(F)c1 1749589739 FJTGRFIUTDNRTA-UHFFFAOYSA-N 472.565 2.177 30 10 JEEE C=CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1C[C@@]1(C)COCCO1 1749592625 RWFIYFRMMFVHSW-IBGZPJMESA-N 454.369 2.490 30 10 JEEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1749604341 KGLLLMLOQODMMM-UHFFFAOYSA-N 474.009 2.038 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCN(C(=O)OC)CC1 1749651209 PQKMVLJJOSVAKG-KRWDZBQOSA-N 472.546 2.007 30 10 JEEE C=CCOc1ccccc1Cn1c(-c2ccc[nH]2)nnc1N1CCC(NS(C)(=O)=O)CC1 1749690912 WLLJRJSLXBWTKA-UHFFFAOYSA-N 456.572 2.404 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@H](c2nccs2)C1 1749731743 JHIQPBYEDYMACF-HOTGVXAUSA-N 453.590 2.155 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc(Cl)nc3)n2Cc2cnnn2C)c1 1760126429 YISIEVBMCCBMGJ-UHFFFAOYSA-N 461.917 2.227 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cn3nc(C)cc3C)n2C[C@]2(OC)CCOC2)c1 1760127873 PLQMKEHJFHKUON-RUZDIDTESA-N 477.569 2.001 30 10 JEEE C#CCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1760142286 XYYIJRRVWJSIGC-UHFFFAOYSA-N 461.526 2.053 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CCCO[C@H]1C(C)C)[C@H]1CCS(=O)(=O)C1 1760184149 VTWZEEGSHRXBNM-JBACZVJFSA-N 493.674 2.274 30 10 JEEE C#CCN(c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCOCC)[C@@H]1CCS(=O)(=O)C1 1760188449 PFQRUNURCQMZPR-RBUKOAKNSA-N 495.646 2.056 30 10 JEEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1Cc1ccccc1N1CCOCC1 1760251305 WHPXGEHVTMMVAL-UHFFFAOYSA-N 463.586 2.111 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCCn2nc(C)cc2C)CC1 1760270364 VYLNXOHRHJQGPG-NRFANRHFSA-N 453.591 2.042 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@@H]2CCOC[C@@H]2OC)CC1 1760271269 RZOVHUGHWFKTOH-UPVQGACJSA-N 495.624 2.089 30 10 JEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1760272605 PPRSMEJSCWNIHX-MRXNPFEDSA-N 450.609 2.228 30 10 JEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](Oc2ncccc2F)C1 1760273557 YFJRSZZDMIWXCA-KRWDZBQOSA-N 458.563 2.462 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C)NC(=O)OC(C)(C)C)CC1 1760402388 LIHBZCWVTVOHMB-NVXWUHKLSA-N 453.609 2.496 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21)C(C)C 1760490036 ONZDCDDPCUXTQF-XSDIEEQYSA-N 469.634 2.175 30 10 JEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1 1760526431 ODYGMZJPFUGCJB-UHFFFAOYSA-N 497.003 2.058 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1760532972 KQHOBUSORWWOCO-AZUAARDMSA-N 452.559 2.195 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H]1C 1760554801 NCFKYINQFFHHHN-DLBZAZTESA-N 469.608 2.176 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1760554874 PMEUHBINNDBHFM-KKSFZXQISA-N 453.609 2.181 30 10 JEEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccc(F)cc2C1 1760566374 SDZMPSKVGLFTHV-LJQANCHMSA-N 481.619 2.232 30 10 JEEE CCN(CCn1c(C(=O)NC(C)C)nnc1N1CCCN(c2ccccc2C#N)CC1)C1CC1 1765220538 GSJCDWVLNLQSPO-UHFFFAOYSA-N 464.618 2.489 30 10 JEEE CCOC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1765759647 CCPWDCVEGRFQBO-GOSISDBHSA-N 455.538 2.382 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1772660442 XJRKZIRNCYSLBW-JPYJTQIMSA-N 476.599 2.329 30 10 JEEE C=CCNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1ccc2nc(-c3cccc(OC)c3OC)[nH]c2c1 1861401091 QXIJTLAYKZDUQP-BEFAXECRSA-N 450.495 2.125 30 10 JEEE C=CCNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1ccc2c(c1)C(=O)N(c1c(CC)cccc1CC)C2=O 1861531841 OQZNXDYPDMTIQT-KNQAVFIVSA-N 475.545 2.490 30 10 JEEE COCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1cc(OC)c(O)c(OC)c1 1862632353 NLULSLQFBKAHSC-LJQANCHMSA-N 457.435 2.363 30 10 JEEE CCOC(=O)c1ccc(N2C[C@@H](C(=O)Nc3c(C#N)nnn3-c3ccc(N(C)C)cc3)CC2=O)cc1 1870151538 YVBFTVFLPIEOQI-KRWDZBQOSA-N 487.520 2.373 30 10 JEEE C=CCN1CC(=O)C(c2nc3ccccc3s2)=C1NC(=O)CNS(=O)(=O)c1ccc(C)cc1 1873675872 TUKSTTCFCMGVNE-UHFFFAOYSA-N 482.587 2.439 30 10 JEEE COC(=O)CSc1nnc([C@@H]2CC(=O)N(Cc3ccccc3)C2)n1/N=C/c1ccccn1 1874211591 SRRWYSMISOXPST-FQIOEHTJSA-N 450.524 2.337 30 10 JEEE COc1cc(/C=N/n2c(CNC(C)=O)nnc2SCC(=O)Nc2nccs2)cc(Cl)c1O 1874433660 RDLONFSHLUUWMX-QPJQQBGISA-N 495.974 2.351 30 10 JEEE Cc1cccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CCC(Oc3ncccc3C#N)CC2)c1 1891886458 RVWOVXHQHXTLGC-OAQYLSRUSA-N 454.552 2.485 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CO)CNC(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2255523032 BJVQASJULXNIJC-CQSZACIVSA-N 454.760 2.255 30 10 JEEE Cn1nc(C(=O)NC[C@@H]2C[C@@H]2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2255819448 ATNMTYXUYDXNAI-RYUDHWBXSA-N 454.764 2.016 30 10 JEEE Cc1c(C(=O)NC[C@H](NC(=O)OC(C)(C)C)C(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267141908 ZVDWNMQMRVUHNN-HNNXBMFYSA-N 450.389 2.307 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccsc2B2OC(C)(C)C(C)(C)O2)C[C@H]1CCO 2267476101 TXAVYUQTSAULGM-OAHLLOKOSA-N 466.409 2.491 30 10 JEEE C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@@H](C)c1nscc1B1OC(C)(C)C(C)(C)O1 2268651282 OCCTZVXGJPJKKN-XEZPLFJOSA-N 469.413 2.236 30 10 JEEE CC(C)(C)OC(=O)N1[C@H](CNC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)C[C@H]2OCC[C@@H]21 2282027685 TXODMHBDQMIDQL-SOUVJXGZSA-N 479.408 2.339 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)C1 2282044594 UUNXHDKSBHSTNA-JKSUJKDBSA-N 462.400 2.485 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CN(Cc3ccccc3)CC(F)(F)C2)n1 2282046675 OINKTWQIQHYMMC-KRWDZBQOSA-N 460.334 2.359 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)C[C@@H]1CO 2282180894 YQVJVGMPPLLMNN-MJGOQNOKSA-N 460.380 2.334 30 10 JEEE Cc1c(C(=O)N2C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282542229 HQJRAUOUCSFQLL-HNNXBMFYSA-N 462.400 2.403 30 10 JEEE Cn1cc(C(=O)N[C@@]23CCC[C@H]2N(C(=O)OC(C)(C)C)CC3)nc1B1OC(C)(C)C(C)(C)O1 2282548971 CVFYNFXHJABCEO-WAIKUNEKSA-N 460.384 2.381 30 10 JEEE Cn1ncc(C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C(F)(F)C2)c1B1OC(C)(C)C(C)(C)O1 2282556604 KKRCFYXCKOUWRL-CQSZACIVSA-N 470.326 2.094 30 10 JEEE CON(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)c(C)nn1C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2282557301 TTZKHAMZGVAVNT-OAHLLOKOSA-N 464.372 2.041 30 10 JEEE CC(C)(C)OC(=O)N1CCC([S@](C)(=O)=NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CC1 2282565912 QNXMGMZMPNAAEV-XIFFEERXSA-N 482.412 2.346 30 10 JEEE CN(C[C@H](O)COCc1ccccc1)S(=O)(=O)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2282843548 PLKSUNNLFSYSFM-QFIPXVFZSA-N 475.416 2.325 30 10 JEEE C[C@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1O 2282883145 WMBZQDLIHQEAIL-SWLSCSKDSA-N 456.270 2.363 30 10 JEEE CC1(C)OB(c2nccnc2C(=O)N2CCN(Cc3ccccc3)CC(F)(F)C2)OC1(C)C 2283055020 CBHBZQZHLPQMBI-UHFFFAOYSA-N 458.318 2.369 30 10 JEEE CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@H]1CCC=C1B1OC(C)(C)C(C)(C)O1 2283946997 UZDMTUKWYADEKB-WMZOPIPTSA-N 465.400 2.488 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2312857500 HRQWFAUNRCELGR-AEGPPILISA-N 470.422 2.333 30 10 JEEE N#CC1(F)CN(C(=O)c2cc(I)cc(I)c2O)C1 2317379907 MBQXSAZSMMHSLV-UHFFFAOYSA-N 471.995 2.289 30 10 JEEE O=c1c(Cl)c(NN=Cc2ccc(O)c(Br)c2)cnn1[C@@H]1CCS(=O)(=O)C1 2322615799 ZBVPBMPYOOTGLJ-SNVBAGLBSA-N 461.725 2.170 30 10 JEEE CC(=O)NCc1nnc(SCC(=O)Nc2ccc(C)cc2)n1N=Cc1ccc(O)c([N+](=O)[O-])c1 2330736932 BWHOXYODDPPQDZ-UHFFFAOYSA-N 483.510 2.449 30 10 JEEE CCCc1nnc(SCC(N)=O)n1N=Cc1ccc(OCC(=O)N(CC)CC)c(OCC)c1 2331643631 KBVRQCWDRRTWMI-UHFFFAOYSA-N 476.603 2.336 30 10 JEEE CCS(=O)(=O)N1CC(CC#N)(n2cc(-c3ncnc4c3ccn4C(=O)OC(C)(C)C)cn2)C1 2356096644 DSHUYPHBSXAOSA-UHFFFAOYSA-N 471.543 2.352 30 10 JEEE Cn1cc(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 2359267256 XIVQZUFTBGIQLU-YQQAZPJKSA-N 460.384 2.095 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1COC[C@H]1C(=O)N1CCc2scc(B3OC(C)(C)C(C)(C)O3)c2C1 2361642086 TZABUWNSCURUEI-WBVHZDCISA-N 478.420 2.472 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2C[C@@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)n1C 2362340161 MISSEOZQTSOZBM-OWCLPIDISA-N 460.384 2.155 30 10 JEEE N#Cc1cc(OCCOCC2CC2)ccc1OC[C@H](O)CNCCNC(=O)Nc1ccc(O)cc1 13490596 VAWYRUMIUGPAEX-JOCHJYFZSA-N 484.553 2.220 30 10 JEEE in-vitro COc1cc(/C=N/Nc2nnc(SCC(=O)Nc3cccc(C#N)c3)n2N)cc(OC)c1OC 20919884 WUJDVQSKVFNTRP-BHGWPJFGSA-N 482.526 2.066 30 10 JEEE O=C1Nc2cc(Cl)ccc2[C@@H]1C1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 727412941 KITBVZWIFPVWNH-FQEVSTJZSA-N 472.954 2.353 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1CCOCc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1286386621 DWWLBOKNVZGQQA-HXUWFJFHSA-N 481.578 2.192 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1CCCSC)[C@H]1CCS(=O)(=O)C1 1286395715 MRWLQTSUKWYAFX-INIZCTEOSA-N 452.577 2.376 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1Cc1nnc(CC)s1)[C@@H]1CCS(=O)(=O)C1 1286395737 MYFNRGDHXSRMDC-OAHLLOKOSA-N 490.586 2.085 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2ccco2)C1 1286546172 GYARSAXKIKUYKA-FPAYPSAMSA-N 465.576 2.040 30 10 JEEE C=C(C)COCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](C)C1 1286607358 GKMWXMVFOXBHGB-MSOLQXFVSA-N 451.568 2.404 30 10 JEEE C=C(Cl)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CCCOc1cccc(S(C)(=O)=O)c1 1286627387 CMXFUHGRPUNXTH-QGZVFWFLSA-N 467.979 2.291 30 10 JEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1cccs1)N(C)C)C1CC1 1286738440 UWEKVXVALWXRLR-ZWKOTPCHSA-N 480.660 2.130 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Br)s3)n2Cc2nnn(C)n2)C1 1286802058 MVAWCWOTCGVJSK-NSHDSACASA-N 451.354 2.122 30 10 JEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H](C)c1cccc(N2CCOC2=O)c1 1300381420 RBOHBJVSJDOYHO-IRXDYDNUSA-N 474.587 2.456 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccc(Cl)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1300487091 FYKPKRWKQONKKM-QGZVFWFLSA-N 474.974 2.016 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1CCCc1cnn(C)n1)[C@H]1CCS(=O)(=O)C1 1300489944 WIYXGRMNGSAOJD-KRWDZBQOSA-N 491.980 2.126 30 10 JEEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1CCc1ccsc1)[C@@H]1CCS(=O)(=O)C1 1300504008 IBIYSJGHLYVVML-QGZVFWFLSA-N 489.648 2.201 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1300690438 LAUCBCUKSQJRGL-FQEVSTJZSA-N 484.670 2.279 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2nc(C)c(C)s2)CC1 1300708143 ORQZJCJXSGBATR-UHFFFAOYSA-N 455.613 2.146 30 10 JEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](CN2CCCCCC2)C1 1300732899 FLMIBXWHUDMFLN-WOJBJXKFSA-N 482.720 2.347 30 10 JEEE C=CCCOCCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1301262679 YSFKLGCEZCNJLD-AABGKKOBSA-N 450.580 2.369 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCSCC1 1301363473 UGOOXUMLJJLGKK-QGZVFWFLSA-N 467.686 2.483 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCO[C@H](c2ccccc2)C1 1301585440 AWJBVUKDLQLHGI-NRFANRHFSA-N 453.568 2.443 30 10 JEEE C=CCn1c(COc2ccccc2)nnc1S[C@@H](C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 1307312458 QODIVYYVVZLCIG-HOTGVXAUSA-N 450.586 2.169 30 10 JEEE CCN(CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H](C)C#N)CCC(F)(F)F 1313812980 AOIJSVNIRRBZQY-LSDHHAIUSA-N 450.531 2.050 30 10 JEEE N#C[C@@H]1CN(c2nnc(Cc3ccccn3)n2Cc2ccnc(OCC(F)(F)F)c2)CCO1 1316538837 ATFCXDUKECFTBN-QGZVFWFLSA-N 459.432 2.377 30 10 JEEE CCOC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](CC#N)c3ccccc3)CC2)cc1 1350510078 GPMDVWWTMJHEJP-OAQYLSRUSA-N 455.536 2.394 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H](C)OCCOC)n1C[C@@H]1C[C@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1358874229 UXNGWKKTMYXYFK-VYJAJWGXSA-N 477.606 2.484 30 10 JEEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@]1(C)CN(C2CC2)C1=O 1358978100 CZZPXVBDVAFJNQ-AREMUKBSSA-N 480.613 2.476 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1Cc1cccc(NC(=O)[C@H]2CCCO2)c1 1358984283 OXMKOJJAHDLBLY-OAQYLSRUSA-N 462.554 2.045 30 10 JEEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CCn1cc([C@@H]2CCOC2)cn1 1358986253 RHWUOGCZZFIBKY-BWKNWUBXSA-N 466.586 2.182 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2F)n1CCN1CCN(C(C)=O)CC1 1358989250 VCWRDRFJBHWHJY-UHFFFAOYSA-N 456.953 2.365 30 10 JEEE C=C(Br)Cn1c([C@H]2CCOC2)nnc1N1CCN(C[C@@H](O)COc2ccccc2)CC1 1359083330 HVMNTACMBWANML-RBUKOAKNSA-N 492.418 2.253 30 10 JEEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1359136031 XHYKZXSLAPVSFB-UHFFFAOYSA-N 479.585 2.400 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2C[C@H](C)O[C@H](C)C2)CC1 1359179423 VCEKIPGLZJVMHK-PIKOESSRSA-N 467.636 2.217 30 10 JEEE C=CCCCn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1359218747 UGEVEEFESBYNOV-UHFFFAOYSA-N 480.613 2.309 30 10 JEEE C=CCCOCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCn2nc(C)nc2C1 1359221658 JYLIWHSRSUSHBP-UHFFFAOYSA-N 470.965 2.374 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cn(CCCC)nc2C)C1 1359321581 IQDHCBXMGJXIRF-UYAOXDASSA-N 462.620 2.315 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@]2(CCOC2)C1 1359332889 JQAQUXRBNXHQFP-OAQYLSRUSA-N 452.527 2.365 30 10 JEEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1359341549 ACZWRTCXABJTHP-FQEVSTJZSA-N 461.680 2.143 30 10 JEEE C=CCSCCn1c(Cc2cccnc2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1359344513 AKZNZHHHKRNZNL-UHFFFAOYSA-N 456.616 2.258 30 10 JEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N(CC)C[C@@H](O)C(F)(F)F)nnc12 1472547361 DZCUNWHZWVBAQW-CQSZACIVSA-N 455.462 2.094 30 10 JEEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1507575123 CYBHPNJACHIODM-UHFFFAOYSA-N 491.614 2.245 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1ccnc(SC)c1)[C@H]1CCS(=O)(=O)C1 1507628142 GJYGWNXQDLWIBF-KRWDZBQOSA-N 454.581 2.132 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1c(F)cc(F)c(F)c1F 1507669054 GTAVMNVZNCYXHL-ZDUSSCGKSA-N 454.449 2.248 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1C[C@H](C)N1CCN(CC)CC1 1507704377 ZIJIBEJWPUUPAJ-SFHVURJKSA-N 492.466 2.158 30 10 JEEE C=CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1507954661 WTQBJKJKLRIQRU-WOJBJXKFSA-N 472.634 2.434 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(F)cc1Cl 1507984372 VJQPVIYHMNCZMZ-KRWDZBQOSA-N 457.959 2.268 30 10 JEEE C=CCn1c(C(=O)NC(CC)CC)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 1508042634 UYFXZOAJPOJPKD-ICSRJNTNSA-N 459.639 2.199 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1508081442 KFXOPFPOXSGEHT-KRWDZBQOSA-N 450.547 2.130 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1508081686 MOKFECQYKPOFOF-UHFFFAOYSA-N 454.466 2.333 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCN2C(=O)CC[C@H]2C1 1508132002 TVXGLBMJPUWKPY-AEFFLSMTSA-N 494.017 2.483 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CC(=O)N(C)C[C@@H]1C 1508133201 DRWCHSIEWOBMJT-SFHVURJKSA-N 499.593 2.385 30 10 JEEE C=CCSCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@@H](C(N)=O)C1 1508151612 DWODZJSJOKMYSC-MRXNPFEDSA-N 477.660 2.168 30 10 JEEE CC(C)(C)Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@H]1CCCN1CCCO 1508583978 GJIXQGCABMLXKI-OAQYLSRUSA-N 466.634 2.307 30 10 JEEE CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC[C@@H](O)C2)CC1 1513186183 BNDZFUFLXVVOIO-IEIRFRATSA-N 479.629 2.405 30 10 JEEE C#CCNC(=O)C1CCN(C(=O)CCc2ccc(S(=O)(=O)N3CCCCCC3)cc2)CC1 1519094681 KAOOIWPQQHZDCQ-UHFFFAOYSA-N 459.612 2.172 30 10 JEEE CS(=O)(=O)CCCn1c(COc2ccc(Br)cc2)nnc1N1CC[C@](F)(C#N)C1 1519519647 BEFRERNNHAPQFU-SFHVURJKSA-N 486.367 2.496 30 10 JEEE CC(C)N(C)S(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)c1 1534303810 FGXUZCFDUCZBFM-QGZVFWFLSA-N 450.561 2.301 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1c[nH]c2c(C)cccc12 1539016323 TWOSJWWLKFVNTK-PXNSSMCTSA-N 470.599 2.101 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)c1ccc(F)cc1 1539017051 XJUGIYYPFCBLME-VQIMIIECSA-N 463.579 2.186 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CCN2CCC[C@H](C)C2)c1 1539039784 HVNCCBYEJJZFPE-IBGZPJMESA-N 460.586 2.467 30 10 JEEE C#CCN(c1nnc(-c2ccc(OCC)c(OC)c2)n1CCN1CC=CCC1)[C@H]1CCS(=O)(=O)C1 1539211508 MTDDFRIHRBVMJI-NRFANRHFSA-N 499.637 2.241 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2c(F)cccc2F)n1Cc1cccnc1N1CCOCC1 1539268247 KRKXQWBTWYRRMW-UHFFFAOYSA-N 462.504 2.500 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2CCc2nnc3n2CCCCC3)CC1 1539469682 UGOIIFYZJLCHJB-GOSISDBHSA-N 452.607 2.318 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Cl)n2CCCn2ccnn2)CC1 1539475690 MLXOBNZTCXDJHS-UHFFFAOYSA-N 452.950 2.246 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2Cc2cccc(OCCN(C)C)c2)CC1 1539480727 DVHUYPDUFXJYBI-XMMPIXPASA-N 494.640 2.474 30 10 JEEE C=C(Br)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@@H](C(=O)NC)C1 1539594184 GWNGYTORMRJWSD-CYBMUJFWSA-N 472.347 2.465 30 10 JEEE C=C(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1539688598 KLUCKWVTNVCDAM-INIZCTEOSA-N 470.530 2.020 30 10 JEEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(S(C)(=O)=O)CC1 1539706518 LTYJYFBJOIXSPS-QGZVFWFLSA-N 469.608 2.176 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1540865696 PCWUZYUWWOWPCW-KRWDZBQOSA-N 496.431 2.413 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1540868108 RZSKDQPJLDJDLU-MRXNPFEDSA-N 456.547 2.359 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)c2c(F)cccc2F)CC1 1540869487 ORXBFQFVQQJMLA-UHFFFAOYSA-N 481.507 2.191 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCN2CCC(C)CC2)C1 1540892833 RVHRKTCQMMVUHR-UXHICEINSA-N 451.637 2.084 30 10 JEEE C=CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1540916343 AHUGWKGVNDYLFF-FXAWDEMLSA-N 459.572 2.051 30 10 JEEE CNC(=O)[C@@H]1CN(C(=O)c2ccn(C)n2)CC12CCN(c1ccc(C#N)c(C(F)(F)F)c1)CC2 1548375236 FLGJJHIUTAANEA-SFHVURJKSA-N 474.487 2.415 30 10 JEEE CN(CCc1nccs1)c1nnc(-c2cccc(C#N)c2)n1CCC(=O)N1CCOCC1 1554264223 GQSNNHYVSNWZPV-UHFFFAOYSA-N 451.556 2.201 30 10 JEEE COC(=O)CC[C@H](NC(=O)COc1ccc(C#N)c(Br)c1)C(=O)OC(C)(C)C 1557305922 HUAMDGVAMBWXCD-HNNXBMFYSA-N 455.305 2.479 30 10 JEEE C#CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CCC[C@@H]1NC(=O)NC1=O 1588016588 TVQMXOVNXIMHJW-AWEZNQCLSA-N 451.314 2.222 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(F)ccc2Br)n1CC1(O)CCOCC1 1588594524 IJSRUYVNPYKANV-UHFFFAOYSA-N 467.339 2.474 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CC2(c3ccc(F)cc3)CCOCC2)CC1 1588733636 XBJJIJDPDJJXOH-UHFFFAOYSA-N 468.577 2.059 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccccc2OC)nnc1N(C)CC(=O)N1CCOCC1 1589567202 BSGUKMAWJFQBOJ-NTKDMRAZSA-N 485.585 2.142 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1595577032 GZLGGFNMXDJGGC-UHFFFAOYSA-N 491.596 2.260 30 10 JEEE C#C[C@]1(O)CC[C@@H]2[C@H]3CCC4=C/C(=N/OCC(=O)N[C@H](CC(N)=O)C(=O)O)CC[C@]4(C)[C@@H]3CC[C@]21C 1614466802 DADOOOYPFQVZKE-DMUYAYSDSA-N 499.608 2.131 30 10 JEEE CCN(CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(N2CCNC2=O)CC1)C(C)C 1615659934 HVFFMITWKVQGHM-UHFFFAOYSA-N 480.617 2.453 30 10 JEEE CS(=O)(=O)CCCn1c(-c2ccc[nH]2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1620162110 IBTMNRHIAZQIEJ-UHFFFAOYSA-N 457.535 2.045 30 10 JEEE CCS(=O)(=O)c1ccc(N2CCC(NS(=O)(=O)c3cccc(F)c3C#N)CC2)cc1 1659790702 DUGISCWFXQLWEA-UHFFFAOYSA-N 451.545 2.438 30 10 JEEE CC(=O)N1CCc2ccc(S(=O)(=O)NC3(c4cccc(C#N)c4)CCOCC3)cc2CC1 1670436946 DRYZBHVLZXFBPG-UHFFFAOYSA-N 453.564 2.490 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc(Cl)nc3)n2C[C@H]2CCC(=O)N2)c1 1689870137 CTACZXCMVUMXPE-GOSISDBHSA-N 463.929 2.328 30 10 JEEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1C[C@]1(C)COCCO1)[C@@H]1CCS(=O)(=O)C1 1689979744 GQTGIIPKXQEDKX-PQNGQFLHSA-N 472.611 2.252 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCOCC(F)(F)C(F)F)[C@@H]1CCS(=O)(=O)C1 1689983420 BHRMYQPOHSZUHT-CQSZACIVSA-N 478.468 2.390 30 10 JEEE C#CCN(c1nnc(CCCc2ccccc2)n1CCC(=O)NC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1689993676 JJFFHUHQDHUIGK-OAQYLSRUSA-N 485.654 2.385 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1Cc1cnn(CC)c1)[C@H]1CCS(=O)(=O)C1 1689996232 FOYBGOIMMRWUCT-FQEVSTJZSA-N 468.583 2.057 30 10 JEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1ccc(NC(C)=O)nc1 1690003780 XXUAKBQLKXNXQG-UHFFFAOYSA-N 490.593 2.021 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccccc2OC)n1CCCN1CCC[C@H]1C(=O)N(C)C 1690041851 LHJTUMCLIJKTTG-QFIPXVFZSA-N 462.598 2.359 30 10 JEEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2CCN(C)CC(F)(F)F)CC1 1690132654 VNJBTHWCZNWFTN-UHFFFAOYSA-N 450.509 2.415 30 10 JEEE C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C(C)C)C1 1690228723 DFZYESLIXJJQEJ-HZPDHXFCSA-N 476.441 2.392 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2ccccc2Cl)C1 1690287998 CMCRZEFXHZSVDL-RBUKOAKNSA-N 482.006 2.418 30 10 JEEE C=CCCCn1c(N2CCN(CC(=O)NCC)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1690496171 LMLOTGXOZMBRLU-KDURUIRLSA-N 475.638 2.273 30 10 JEEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1690627648 OXCSFSNWMYGUIX-FQEVSTJZSA-N 458.010 2.264 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1690672845 FXUSXYBYUHCDAA-OAQYLSRUSA-N 493.656 2.049 30 10 JEEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N(C)C1CCC2(CC1)OCCO2 1690674235 UEBQNBHMCOIALB-UHFFFAOYSA-N 469.586 2.496 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2CC(=O)NCC(F)F)C1 1690688498 WMIBODWPJZBFDV-ZDUSSCGKSA-N 473.322 2.209 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CC[C@@H](c2ccc(OC)cc2)C1 1690722478 KVRIWZQDCLRZSF-GOSISDBHSA-N 454.556 2.338 30 10 JEEE C=CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(CC(=O)NC)CC1 1690742402 PNFXMBMQYUWVHL-UHFFFAOYSA-N 481.626 2.464 30 10 JEEE CCc1nc(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCN(CC(=O)N(C)C)CC2)cs1 1694580085 CASFLUBCJPZMMM-UHFFFAOYSA-N 478.626 2.289 30 10 JEEE COc1cc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CC2([S@](C)=O)CC2)cc(OC)c1OC 1697251806 CKYMSMRJJUSREY-WEZXKFLESA-N 463.535 2.324 30 10 JEEE C#CCN(c1nnc(C(C)C)n1Cc1ccc(CN2CCCC2=O)cc1)[C@@H]1CCS(=O)(=O)C1 1705561747 WHKKKAQZEMRUHX-OAQYLSRUSA-N 469.611 2.199 30 10 JEEE C#CCN(c1nnc(COCC)n1C[C@H](c1c(F)cccc1F)N(C)C)[C@H]1CCS(=O)(=O)C1 1705568495 OPDSWOMBJZTSGZ-QFBILLFUSA-N 481.569 2.022 30 10 JEEE C#CCN(c1nnc(COCC)n1CC1(c2ccccc2C)CCOCC1)[C@H]1CCS(=O)(=O)C1 1705568593 QZSKXQYSZMWWPJ-NRFANRHFSA-N 486.638 2.498 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(COCC(F)(F)F)c1 1705582814 KDJRSILJHWKBIB-IBGZPJMESA-N 480.512 2.380 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)N2C[C@H](C)O[C@H](C)C2)CC1 1705637069 IDXXDKIVKFUVTQ-OYRHEFFESA-N 461.614 2.460 30 10 JEEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(F)c(OC)c2)CC1 1705747130 GJJUDJVFWCSUND-AWEZNQCLSA-N 472.974 2.115 30 10 JEEE C=C(Cl)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1705749724 GJVXSWHHOAUDOJ-UHFFFAOYSA-N 486.985 2.459 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2sccc2C)CC1 1705769494 UPHGMQCHMJIESO-KRWDZBQOSA-N 451.618 2.380 30 10 JEEE C=CC1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CCCS(C)(=O)=O)CC1 1705780005 BGOABTCDRNXMAY-UHFFFAOYSA-N 466.633 2.075 30 10 JEEE C=CCCOCCn1c(-c2noc3c2COCC3)nnc1N1CCN(C(=O)N(CC)CC)CC1 1705829141 IJNPFBJLQOWHHX-UHFFFAOYSA-N 473.578 2.182 30 10 JEEE C=CCn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1705891451 GDMGGCQCSRPAAZ-GOSISDBHSA-N 453.547 2.433 30 10 JEEE C=CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1705941496 LRXGDQBFLYYPHR-MRXNPFEDSA-N 479.628 2.359 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1ccccc1Cl 1706074705 COTSABYVCJWALK-QEEYODRMSA-N 451.980 2.337 30 10 JEEE CC[C@@H]1CCCN1c1nnc(-c2cccc(C#N)c2)n1CCNS(=O)(=O)Cc1ccon1 1709275562 ABJOFCRNWVCRGZ-LJQANCHMSA-N 455.544 2.303 30 10 JEEE CCS(=O)(=O)N(C)CCCn1c(-c2ccccn2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1710885377 BVWDNWCQBFHXGS-QFIPXVFZSA-N 495.609 2.461 30 10 JEEE N#CCC1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1712886784 FYEDICJQAPWOHC-QGZVFWFLSA-N 476.628 2.224 30 10 JEEE C#CCN1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CC[C@H](OCC)C(C)C)CC1 1722437937 LTTNLYFIRSZBNS-NRFANRHFSA-N 487.674 2.445 30 10 JEEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1722457376 BSYGOOVVVMPBLT-QFIPXVFZSA-N 475.622 2.364 30 10 JEEE C=CCCOCCn1c(-c2cccn2C)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1722625866 AIDZBTGEGBWWSN-UHFFFAOYSA-N 491.643 2.152 30 10 JEEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 1722686041 OXNHIYUTJUMTGY-HUUCEWRRSA-N 464.979 2.270 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC2(S(C)(=O)=O)CC2)C1 1722713286 CYMADNUSDSIUBL-CQSZACIVSA-N 470.393 2.394 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CCCN(C)C(=O)OC(C)(C)C)C1 1722721880 XMGGLABVLSRVMI-SFHVURJKSA-N 462.595 2.439 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCn1cc(CO)nn1 1740554914 XOHXLQXYHHENNH-ROUUACIJSA-N 472.594 2.025 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2CCCn2ccnn2)c1 1740564487 OQJRUZNIGUIVCU-UHFFFAOYSA-N 455.526 2.002 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1CC(=C)Cl)[C@@H]1CCS(=O)(=O)C1 1740619517 JNFZAGHGTQEYLC-MRXNPFEDSA-N 450.948 2.342 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1CCCc1nc(C)no1)[C@H]1CCS(=O)(=O)C1 1740625618 RMGMHCGSUPNCNU-FQEVSTJZSA-N 468.583 2.014 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1(O)CCN(C(C)C)CC1 1740681283 FQTKHNURAQLMIQ-UHFFFAOYSA-N 469.586 2.038 30 10 JEEE C#CCN1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCn2cc(C)cn2)CC1 1740695782 DBNNABBDUXUJQF-UHFFFAOYSA-N 482.633 2.353 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2C[C@H](C(C)C)N2CCOCC2)CC1 1740708641 WZEZVBXSTBLXFF-RUZDIDTESA-N 492.668 2.386 30 10 JEEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1740750086 LQAAKHPMVRWDKB-OWLYRPNTSA-N 470.412 2.068 30 10 JEEE C=C(Cl)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1740804786 DVLYYZVYMDRNCV-ZIAGYGMSSA-N 461.009 2.359 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C2CCOCC2)CC1 1740956815 QXCOXLHDUSQDCB-UHFFFAOYSA-N 462.957 2.341 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H](C)N2CCOCC2)C1 1740974171 JNSFZEJMJNJJNB-QUCCMNQESA-N 457.575 2.464 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CC[C@H](c2ccccc2OC)C1 1740990103 ISVANCXUCQIYIU-KRWDZBQOSA-N 454.556 2.338 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CCCN(C(=O)C(C)C)CC1 1740994101 MOBQTTLIZYSHNY-UHFFFAOYSA-N 489.642 2.461 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2C[C@@H](C)CN2CCN(CC)CC2)c1 1748692743 NASKHYQPMNDWIL-GMAHTHKFSA-N 493.656 2.112 30 10 JEEE C#CCCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCO[C@H](C(=O)NC)C1 1748714585 JHLKQMFUCGZGRZ-IBGZPJMESA-N 474.606 2.147 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1CC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1748823898 DYNHYEGJNJLDAH-LJQANCHMSA-N 458.584 2.016 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@@H]2CCCn3cc(C)nc32)CC1 1749005231 SVRYVQUKOHYXKZ-CTNGQTDRSA-N 483.617 2.050 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cn4ccccc4n3)n2CCCN(C)C(C)C)CC1 1749016384 CQFANMXFYFJAKQ-UHFFFAOYSA-N 476.629 2.213 30 10 JEEE C=C(C)COCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1749211419 YGZRGODJDWVLSL-QHCPKHFHSA-N 488.976 2.485 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ncccc2F)CC1 1749353799 BCMHJJSTXVRVCH-MRXNPFEDSA-N 465.599 2.351 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC([C@H]2CCOC2)CC1 1749650640 DBMDAMVPPWZLSW-IBGZPJMESA-N 487.004 2.417 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1749659368 AFZJFDOHVFEIIN-HNNXBMFYSA-N 482.507 2.337 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1749663983 CQJRQHGMTDFXKB-YCRPNKLZSA-N 476.375 2.394 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1749729438 JNJVJVYAXRTBKW-UHFFFAOYSA-N 469.493 2.120 30 10 JEEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccccc1CN1CCC(O)CC1 1760164888 CXPTZXTUZVICEK-SANMLTNESA-N 467.614 2.393 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CC[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1760186842 REPBMLNPTRHVOU-DLBZAZTESA-N 464.538 2.200 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1760186888 GUENASPKIIKXHE-UXHICEINSA-N 458.584 2.050 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1 1760209815 IBBHOGSBEVZQHT-ZCNNSNEGSA-N 462.664 2.108 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)CC1 1760255867 BDVLUMFHBPJBRI-NLFFAJNJSA-N 490.649 2.329 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1760256401 OVNBBUGPYASZNZ-QFIPXVFZSA-N 480.613 2.411 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@]2(O)CCO[C@@H]2C)CC1 1760264181 DYGYFGNWXJVUKG-OPAMFIHVSA-N 480.396 2.459 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCc2ccccc2OCC)CC1 1760265047 MCDLKYIKEMVZSG-GMAHTHKFSA-N 453.587 2.399 30 10 JEEE C#CCSCCn1c(-c2cc(F)ccc2Br)nnc1N1CCO[C@@H](C(=O)NC)C1 1760274795 TZBMYNGAMKAAIZ-MRXNPFEDSA-N 482.379 2.164 30 10 JEEE C=C(Br)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1760303103 BCEFDPJVZIRTLY-HNNXBMFYSA-N 462.308 2.318 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1760411390 KXCWNFXRGGZCMA-HBMCJLEFSA-N 485.677 2.458 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C[C@@H]1CCOC1)C1CC1 1760412392 KLMRMKHDFGRWBR-PKOBYXMFSA-N 467.636 2.219 30 10 JEEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1760440622 NMDMVSATHLMCGC-OAHLLOKOSA-N 463.526 2.041 30 10 JEEE C=CCCOCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1760452457 DAONIHAOSQHJMK-CEXWTWQISA-N 493.605 2.303 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1760548996 UPOJEIAFLAIISV-ZIFCJYIRSA-N 491.589 2.215 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(Br)cc3)n2CCS(C)(=O)=O)C1 1760549477 FNFUBSVJDZCPPC-KRWDZBQOSA-N 485.404 2.446 30 10 JEEE C[C@H](CC(N)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1CC1CCN(C2CC2)CC1 1761370494 CDJUSQDQKZULGW-QGZVFWFLSA-N 451.575 2.303 30 10 JEEE CCOC(=O)N[C@H](CC(C)C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C(N)=O)C1 1765717279 HOKVOTRFBPASER-RTBURBONSA-N 453.547 2.289 30 10 JEEE COc1cccc(-n2cc(/C=N\NC(N)=S)c(-c3ccc4c(c3)N(C)C(=O)[C@H](C)O4)n2)c1 1857806523 CAKSXDORCYVABM-ADUFUACUSA-N 450.524 2.459 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@H]2c2ccc(OC)c(OC)c2)cc1OC 1862579191 MHZKDGYFCZANJQ-QFIPXVFZSA-N 484.505 2.435 30 10 JEEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCNC(C)=O)[C@@H]2c2ccc(O)c([N+](=O)[O-])c2)c1 1862706333 UGCCCRWNHDVVSB-LJQANCHMSA-N 455.423 2.023 30 10 JEEE CC(=O)Nc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(CCN3CCOCC3)C2=O)cc1 1863187496 SKRUWZVXUVNJEW-UHFFFAOYSA-N 459.506 2.041 30 10 JEEE Cc1nc(CNC(=O)OC(C)(C)C)sc1C(=O)N[C@@H](CO)C(=O)Nc1ccccc1C#N 1867083882 VCARXQCBLKRREL-HNNXBMFYSA-N 459.528 2.077 30 10 JEEE CSCC[C@H](NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(=O)N1CCC[C@@H](CO)C1 1868784479 XMPXFYNIZGQHSL-YZGWKJHDSA-N 478.684 2.494 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)COc2cn(CC(C)C)c(CN(C)CCO)cc2=O)nc1C 1870323080 GTXHOCOSIAWXDB-UHFFFAOYSA-N 492.598 2.054 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCCOC)cn1Cc1ccc(OC)cc1 1870527080 MBDGZLCHTDRFOU-UHFFFAOYSA-N 455.555 2.221 30 10 JEEE C=CCn1cc(OCC(=O)Nc2ccc(OCC)cc2)c(=O)cc1CN1CCC(C(N)=O)CC1 1870700727 GKFNUTJTCDULEP-UHFFFAOYSA-N 468.554 2.148 30 10 JEEE C=CCN([C@@H](CCSC)C(=O)Nc1ccc(N2CCN(C)CC2)cc1)S(=O)(=O)C1CC1 1872274716 DUBDZNFLDGJIDK-NRFANRHFSA-N 466.673 2.479 30 10 JEEE CCOc1c(/C=N/Nc2cnn([C@@H]3CCS(=O)(=O)C3)c(=O)c2Br)cccc1OC 1873527103 LVWLIVGCWQGCCN-PCQWDSEFSA-N 485.360 2.219 30 10 JEEE CCN1CCN(CC#CCOC2CCN(C(=O)c3cc(-c4cccc(OC)c4)[nH]n3)CC2)CC1 1890635189 DIKGMNDUMSUOGA-UHFFFAOYSA-N 465.598 2.347 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@](O)(CC(=O)NCc2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2180970734 QUGWWTFMKPVCQS-XMMPIXPASA-N 460.380 2.364 30 10 JEEE CO[C@@]1(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CCCN(C(=O)OC(C)(C)C)C1 2180984943 LYOKFWAMQYYARW-QFIPXVFZSA-N 462.356 2.130 30 10 JEEE C=CC1(NS(=O)(=O)c2cc(N)c(Br)cc2OC)CN(C(=O)OC(C)(C)C)C1 2196129499 MYTDHINTPBIXCG-UHFFFAOYSA-N 462.366 2.494 30 10 JEEE CC(C)(C)OC(=O)NCCCN(CCO)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2255609857 LDOVDEFTGZKXNZ-UHFFFAOYSA-N 454.398 2.397 30 10 JEEE CC1(C)OB(c2occc2C(=O)N[C@@H]2CCOC[C@H]2NC(=O)OCc2ccccc2)OC1(C)C 2255703440 SBHSMKWBKBTZFV-RTBURBONSA-N 470.331 2.393 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@@H]1CNC(=O)c1ccsc1B1OC(C)(C)C(C)(C)O1 2255807739 ADQYUXZVIPMHPT-AWEZNQCLSA-N 452.382 2.413 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1CCN1S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2255942602 NSDRSGRTFVRGJC-OAHLLOKOSA-N 472.438 2.476 30 10 JEEE C[C@@H]1C[C@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)CN(C(=O)OC(C)(C)C)C1 2256614262 MHAWJKDXAHOAKT-OLZOCXBDSA-N 452.386 2.091 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2CCN(C3CN(C(=O)OC(C)(C)C)C3)CC2)C1 2266537505 CQPAQZZYKOQJBV-UHFFFAOYSA-N 462.591 2.057 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(F)c(C(=O)NC[C@@H](CO)NC(=O)OC(C)(C)C)c1 2267532878 LEVLEEXBVWOMLD-AWEZNQCLSA-N 452.332 2.049 30 10 JEEE CN(C[C@@H](O)COCc1ccccc1)S(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2267710482 WMSGYFSBSWSSMD-LJQANCHMSA-N 461.389 2.184 30 10 JEEE CC(C)(C)OC(=O)N=c1[nH][nH]cc1CNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2267720543 MIULSCBNLLSHPG-UHFFFAOYSA-N 484.409 2.018 30 10 JEEE COC(C)(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2268648550 AJFWISUTYACUMJ-OAHLLOKOSA-N 469.413 2.377 30 10 JEEE COC(=O)C1(C(=O)NCC=CB2OC(C)(C)C(C)(C)O2)CCN(C(=O)OC(C)(C)C)CC1 2268688877 VQKXNPZSAMVJHC-UHFFFAOYSA-N 452.357 2.481 30 10 JEEE Cn1ncc(C(=O)NC[C@]23CC[C@H]2CN(Cc2ccccc2)C3)c1B1OC(C)(C)C(C)(C)O1 2281808592 QPTMNPHBYRNATL-DFBJGRDBSA-N 450.392 2.361 30 10 JEEE Cc1cc(C(=O)NC[C@@H]2C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C2)oc1B1OC(C)(C)C(C)(C)O1 2281965631 CXWMKRVVOMYQKL-JYJNAYRXSA-N 464.368 2.281 30 10 JEEE Cc1c(C(=O)N2CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281990798 RKUVIGVJKBBKEX-GOEBONIOSA-N 462.400 2.403 30 10 JEEE C[C@@H]1CN(C(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C[C@@H](C)N(C(=O)OC(C)(C)C)C1 2282035006 PGNLESINGDHAOK-HZPDHXFCSA-N 462.400 2.437 30 10 JEEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC1(NC(=O)OC(C)(C)C)CCCCC1 2282177075 DMUGHHLCRAKWIK-UHFFFAOYSA-N 463.388 2.072 30 10 JEEE COC1(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2F)CN(C(=O)OC(C)(C)C)C1 2282409904 MYGVFPBNOQHSKZ-UHFFFAOYSA-N 464.343 2.491 30 10 JEEE Cn1cc(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 2282542335 IFLYPMKXBXXGKS-HYVNUMGLSA-N 460.384 2.237 30 10 JEEE Cn1ncc(C(=O)N[C@@H]2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)c1B1OC(C)(C)C(C)(C)O1 2282565418 JNJIAXZEFKKNOC-MUJYYYPQSA-N 460.384 2.095 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@@]2(NC(=O)c3ncncc3B3OC(C)(C)C(C)(C)O3)C[C@H]2C1 2282708830 RWGFRXMFAYBBEI-NPMXOYFQSA-N 458.368 2.295 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)CC[C@@H]1C(=O)NCc1ccccc1B1OC(C)(C)C(C)(C)O1 2284058592 OABCFIGIEBVNRH-PKOBYXMFSA-N 460.380 2.362 30 10 JEEE C[C@@H](OCc1ccccc1)[C@@H](NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1O)C(=O)O 2284429218 BTZASEAZRNVKBZ-FOIQADDNSA-N 455.316 2.480 30 10 JEEE CC1(C)OB(c2ccc(C(=O)N[C@@H](COCc3ccccc3)CC(=O)O)c(O)c2)OC1(C)C 2284466284 OHMBOOLHBLKVOG-GOSISDBHSA-N 455.316 2.481 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)NCCc1c(F)cccc1B1OC(C)(C)C(C)(C)O1 2289651528 SGCYZVWYUMMBGH-SFHVURJKSA-N 466.359 2.059 30 10 JEEE CN1C(=O)[C@]2(C(=C(O)c3cc4ccccc4o3)C(=O)C(=O)N2CCN2CCOCC2)c2ccccc21 2297745550 NRRFLEBPJNSZAR-HHHXNRCGSA-N 487.512 2.317 30 10 JEEE COc1ccc([C@H]2C(=C(O)c3ccco3)C(=O)C(=O)N2CCCN2CCOCC2)cc1OC 2297747531 GJVXJSZCMNBESJ-NRFANRHFSA-N 456.495 2.441 30 10 JEEE COc1ccc(C=Nn2c(CNC(C)=O)nnc2SCC(=O)NC2CCCCC2)cc1O 2330772805 UMKPOSCFBPVKKK-UHFFFAOYSA-N 460.560 2.052 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2C[C@H]1C[C@@H]2NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2359280776 RLOYDVZDZQAZNT-NXNVCVFFSA-N 458.368 2.197 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@](C)(CNC(=O)OC(C)(C)C)C2)n1C 2362334434 XTYKQJTWTZJJAT-HSZRJFAPSA-N 462.400 2.405 30 10 JEEE C=CCn1c(CN(CCN2CCOCC2)C(=O)C(C)C)cnc1S(=O)(=O)Cc1ccccc1 36031090 NVCRMTZUQKDFCS-UHFFFAOYSA-N 474.627 2.360 30 10 JEEE CCOC(=O)C1CCN(c2nc3c(c(=O)[nH]2)[C@@H](c2ccc(OCC)cc2)[C@H](C#N)C(=O)N3)CC1 72444728 MFPMFWIBQGPNFV-ROUUACIJSA-N 465.510 2.172 30 10 JEEE C#CCN(C)CCCNC(=O)c1cc(I)cc(I)c1O 700566860 BDBCXSLDCVNIMF-UHFFFAOYSA-N 498.102 2.286 30 10 JEEE C#CCN(C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@H](C)C2)c1)[C@@H]1CCS(=O)(=O)C1 729331029 MDRAPQUWAPILOJ-DOTOQJQBSA-N 473.016 2.023 30 10 JEEE C#CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](CCC(=O)OC)C(=O)O 757280958 IXLUVBIXHKCEAW-YADHBBJMSA-N 478.501 2.440 30 10 JEEE O=C(O)C#CCNC(=O)CN1CCC(NC(=O)OCC2c3ccccc3-c3ccccc32)CC1 757472284 WFNGZJFVHJJRCR-UHFFFAOYSA-N 461.518 2.194 30 10 JEEE C#CCN(C(=O)[C@@H](C)SCc1nc(O)c2c(C)c(C)sc2n1)[C@@H]1CCS(=O)(=O)C1 918755951 IBQPONGQDMYZMQ-ZIAGYGMSSA-N 453.611 2.284 30 10 JEEE COc1ccc(CNC(=O)CSc2n[nH]c(NN=Cc3cc([N+](=O)[O-])ccc3O)n2)cc1OC 1083911109 BDZOQGOLKSVZPL-UHFFFAOYSA-N 487.498 2.290 30 10 JEEE COC(=O)c1ccc(C=NNc2nnc(SCC(=O)Nc3ccc(C(C)=O)cc3)n2N)cc1 1084460366 OHYTWYRXHMQRIC-UHFFFAOYSA-N 467.511 2.158 30 10 JEEE COC(=O)c1ccc(NC(=O)CSc2n[nH]c(NN=Cc3cc([N+](=O)[O-])ccc3O)n2)cc1 1084478617 ZNDCECBVPHPNBG-UHFFFAOYSA-N 471.455 2.382 30 10 JEEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccccc2CN2CCN(C(C)=O)CC2)c1 1138290329 ZMJBTJZJJLJKBE-UHFFFAOYSA-N 453.564 2.400 30 10 JEEE C#CC[C@]1(C(=O)N2CCC(c3nc(C(=O)OCC)n[nH]3)CC2)CCCN1C(=O)OC(C)(C)C 1156264740 BUCIGJUAZZGRHH-HSZRJFAPSA-N 459.547 2.480 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)(C)C)n2C[C@H]2CCCN2CCCO)c1 1286310414 YGAOAXJAUFLWGO-OAQYLSRUSA-N 452.603 2.479 30 10 JEEE C#CCN(c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1286381281 FXBHSQDXIPFCQG-FUHWJXTLSA-N 489.667 2.236 30 10 JEEE C#CCN(c1nnc(-c2c[nH]c3ccccc23)n1CCOCC(F)F)[C@@H]1CCS(=O)(=O)C1 1286389495 KZESEGPRWKMGAG-OAHLLOKOSA-N 463.510 2.335 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1cc(F)cc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1286392709 JSLKYTYKXKKYSX-QUCCMNQESA-N 462.547 2.342 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(Br)c2)n1CCS(=O)(=O)NC(C)C 1286401571 SDKGZVBKLNEBAL-UHFFFAOYSA-N 464.389 2.108 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCOCC(F)(F)C(F)F)CC1 1286490250 OSNKELLDXUWBMY-UHFFFAOYSA-N 470.471 2.166 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[C@@H](OCC)C(C)C)CC1 1286663261 JRMUASVWGDQJBC-WOJBJXKFSA-N 469.652 2.465 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@H](C)[C@H](C)C1 1286819328 GYMKAYFJRYEPCO-DLBZAZTESA-N 470.599 2.275 30 10 JEEE CC(C)(CN1CCCC1)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1287092757 AZYDYLHZKROZSC-UHFFFAOYSA-N 471.631 2.020 30 10 JEEE Cc1nn(C)c(N2CCN(c3nnc(CC4CC4)n3CC[S@](=O)C(C)(C)C)CC2)c1C#N 1290576440 FGFFJLCXOVHGNB-YTTGMZPUSA-N 458.636 2.018 30 10 JEEE CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@](C)(O)c1ccc(F)cc1 1297279096 AQXDMXMHNMRTHM-XMMPIXPASA-N 465.533 2.455 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1CCN1CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1300502259 ROPWUTSDOUZZHV-RBBKRZOGSA-N 455.628 2.174 30 10 JEEE C#CCN(c1nnc(COCC)n1Cc1ccccc1OCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1300504389 MYMZHWLPEVILGU-KRWDZBQOSA-N 486.516 2.431 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H](Cc2ccccc2)OC)CC1 1300726395 OGDGKXIETZFUJU-YADHBBJMSA-N 451.571 2.006 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccc2C)nnc1N1CCN(CCOC)C(=O)C1 1300890504 VKXAPTYKGNLIPV-QPPBQGQZSA-N 453.587 2.454 30 10 JEEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1300963791 HTGQIMWFWXPQDQ-UHFFFAOYSA-N 468.587 2.279 30 10 JEEE C=C(C)COCCn1c(-c2cccc(C)n2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1300991723 PVCXYTJTNQBGJY-UHFFFAOYSA-N 467.618 2.376 30 10 JEEE C=CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC1CCS(=O)(=O)CC1 1301270772 OEXWELYXQRHKFE-UHFFFAOYSA-N 450.561 2.418 30 10 JEEE C=CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1CCS(=O)(=O)CC1)C1CC1 1301317468 SQYNGPLUSLGXEO-UHFFFAOYSA-N 464.613 2.328 30 10 JEEE COCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1301439194 FTTSHLZKRWQILH-GLDPYIMESA-N 456.591 2.150 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2cc(F)cc(F)c2)C1 1301556963 KWYGFIMHIUJGRR-QFBILLFUSA-N 452.527 2.482 30 10 JEEE CC[C@@H](c1ccccc1)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCS(C)(=O)=O 1305673924 GYWQIOGRUPHACK-QUCCMNQESA-N 494.625 2.241 30 10 JEEE CCOC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCO[C@@H]2C)C1 1314030487 DCAQPPPDFKNMCC-HFXUHXBXSA-N 454.531 2.072 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC1(CCOCC)CC1)[C@H]1CCS(=O)(=O)C1 1358960790 LYLZFAABESUFAQ-IBGZPJMESA-N 457.600 2.482 30 10 JEEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1CCc1ccn(C)n1)[C@H]1CCS(=O)(=O)C1 1358965836 BVUMESUXMVAVIR-NRFANRHFSA-N 482.610 2.077 30 10 JEEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1CC1(O)CCCC1)[C@@H]1CCS(=O)(=O)C1 1358966725 VJLZYMNPCGPQBD-HXUWFJFHSA-N 472.611 2.406 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(COC)CCOCC1 1358979042 BAWRIKWJUITYEH-FQEVSTJZSA-N 487.601 2.103 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](C)N(C)c2ccccc2)CC1 1359045062 VPYNMUUIPHHGDH-TZIWHRDSSA-N 450.587 2.273 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCN(c2ncccn2)CC1 1359091560 OWRRAVDADOSARP-ZCNNSNEGSA-N 457.579 2.100 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)CCS(C)(=O)=O 1359094746 FILYOBSPKSLZPO-PXNSSMCTSA-N 462.572 2.178 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](c2ccccc2F)C1 1359333071 NNTCCXBLOMVEHQ-APWZRJJASA-N 450.536 2.100 30 10 JEEE CC(F)(F)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2C#N)CC1 1360628766 GZTTXJSBBMTZHU-KRWDZBQOSA-N 464.542 2.424 30 10 JEEE CC[C@H](NCCS(=O)(=O)c1ccc(C#N)cn1)c1ccccc1OCC(=O)N1CCCC1 1459850145 BRKJXCYWISLCAH-FQEVSTJZSA-N 456.568 2.469 30 10 JEEE CCN(CCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC[C@H]21)S(C)(=O)=O 1502183873 GECPCJQFYLXTDZ-AZUAARDMSA-N 458.588 2.389 30 10 JEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2ccccc2)C[C@H]1C 1507559092 ZYSRCAYKHFTPFX-WOJBJXKFSA-N 458.632 2.403 30 10 JEEE C#CCCCn1c(COc2ccc(OC)cc2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1507594253 BILJOUOHAJIFEL-DEOSSOPVSA-N 466.542 2.094 30 10 JEEE C#CCCCn1c(N(CC#C)[C@H]2CCS(=O)(=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1507600098 WHTLXPDNUUWAKC-OTWHNJEPSA-N 475.615 2.089 30 10 JEEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1CC1(N2CCC(OC)CC2)CCCC1 1507641913 MNJJEFSKMNPXJU-AREMUKBSSA-N 469.630 2.427 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(C)n2)n1CCNS(=O)(=O)c1ccc(C)s1 1507647710 GKRDZHGVKKGFCM-UHFFFAOYSA-N 454.581 2.070 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCNC(=O)c2cccs2)CC1 1507733084 OGPCIBIFKWFKKK-UYAOXDASSA-N 470.643 2.443 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2CC2(COC)CCOCC2)CC1 1507736357 JJEWZLNDEZZZTP-UHFFFAOYSA-N 481.597 2.363 30 10 JEEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1ccc(O)cc1 1507844352 INOVDACKLIYELL-SFTDATJTSA-N 491.614 2.251 30 10 JEEE C=CCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1507960260 XAERWPBHIJJPDF-NRFANRHFSA-N 470.599 2.414 30 10 JEEE CCC(O)(CC)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1513512252 HALDAMWCKRMGMU-KRWDZBQOSA-N 490.630 2.359 30 10 JEEE CS(=O)(=O)N1CC[C@H](Cn2c(COc3ccccc3F)nnc2N2CCC(CC#N)CC2)C1 1519528179 BBUQAGQSEKQHPA-SFHVURJKSA-N 476.578 2.408 30 10 JEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C[C@H]2CCOC2)C1 1539072625 SPIIGYGVIAUBFB-HBMCJLEFSA-N 479.647 2.058 30 10 JEEE C#CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(CCOC)C(=O)C1 1539120728 ZCANFLASHWHEQP-LJQANCHMSA-N 474.606 2.101 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1CCNC(=O)c1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 1539201616 AVZWEGHLSSFOOK-UYAOXDASSA-N 457.600 2.157 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCCc1nnc(C)s1)[C@H]1CCS(=O)(=O)C1 1539210267 AQRIMRHGFXFMRA-SFHVURJKSA-N 486.623 2.373 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1oc(CCC)nc1C)[C@@H]1CCS(=O)(=O)C1 1539224553 ICPQHFUZCZUURU-LJQANCHMSA-N 468.583 2.188 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(OCC)c1OC(F)F 1539265025 CFKTVSBJBWZJBK-KRWDZBQOSA-N 478.521 2.301 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1539337560 KXBDWKVDWHTYBG-SVOUTPRCSA-N 464.570 2.186 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(C(=O)NCC)CCC1 1539371114 NXOFUPHWKUKBMC-SFHVURJKSA-N 474.606 2.352 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCCCN2CCCCC2)CC1 1539428414 RBVLWPWCGHLUOX-UHFFFAOYSA-N 464.618 2.337 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2CCCN2C[C@H](C)O[C@@H](C)C2)CC1 1539461211 BHZDUOCVFKMUFQ-GOTSBHOMSA-N 466.630 2.420 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H]2CCCN2CC)CC1 1539481812 GFHYILVNINWRJX-JOCHJYFZSA-N 452.578 2.458 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2OC)n1C[C@H]1CCN(S(C)(=O)=O)C1 1539558149 BUAQMJBJWOLTBQ-FDDCHVKYSA-N 457.600 2.151 30 10 JEEE C=C(C)COCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)OC)CC1 1539750854 WDCVYPUTVNXVOX-SFHVURJKSA-N 494.593 2.068 30 10 JEEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2cccc(C(=O)N(C)C)c2)CC1 1539848182 MOSIQJBCFNSCJG-FQEVSTJZSA-N 457.600 2.281 30 10 JEEE C=CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(CC)C(=O)C1)c1ccccc1 1539940030 MWOFPHRHFSZDMZ-AZUAARDMSA-N 474.631 2.307 30 10 JEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(c2cnn(CC)c2)CC1 1540035720 HQVSXEKZRFYTON-IBGZPJMESA-N 462.620 2.373 30 10 JEEE C=CCN(Cc1cccs1)c1nnc(CN2CCCC2=O)n1CC1CCS(=O)(=O)CC1 1540146478 BLIOIIGMNIASGC-UHFFFAOYSA-N 463.629 2.479 30 10 JEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CCN2CCCC[C@H]2C)CC1 1540858189 LNUJTUDGUKBEOK-TZIWHRDSSA-N 480.679 2.278 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@@H](C(F)F)C1 1540900063 KDCIQKUSAZERLT-MRXNPFEDSA-N 478.529 2.003 30 10 JEEE COc1ccccc1N1CC[C@H](NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1=O 1544472237 FJWLPCNAKRCPNY-QAPCUYQASA-N 452.898 2.495 30 10 JEEE CC(=O)NCC(=O)N1C[C@H](C(=O)NC2CC2)C2(CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)C1 1548376290 YFFWGYOCDBXOFY-HXUWFJFHSA-N 491.514 2.037 30 10 JEEE C#CCN(C(=O)COC1CN(C(=O)OC(C)(C)C)C1)C1CCN(C(=O)OC(C)(C)C)CC1 1558370994 WRSXBXOGBUKPFV-UHFFFAOYSA-N 451.564 2.484 30 10 JEEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@@H](CNC(=O)CCC)C1 1587831008 GZUCTEZXIMDXRC-IBGZPJMESA-N 461.574 2.467 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@]1(N(C)C)CCSC1)[C@H]1CCS(=O)(=O)C1 1588045972 UYLWASFGUPDWEF-WMZHIEFXSA-N 473.668 2.318 30 10 JEEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1CCc1ccc2c(c1)OCCO2 1588673305 OGIAUSFJGUZJSI-UHFFFAOYSA-N 450.543 2.240 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccc(OC)cc3)n2CCc2cn[nH]c2)CC1 1588954729 LADUTKUJDJXHBG-UHFFFAOYSA-N 461.570 2.004 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@H](C)CN2CCOCC2)CC1 1588961543 CZOLUHAEWUKDKP-QFIPXVFZSA-N 494.640 2.100 30 10 JEEE C#CCSCCn1c(COc2ccccc2OC)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1589116286 GFSIOYSSEFMALG-ROUUACIJSA-N 455.584 2.480 30 10 JEEE C#CCSCCn1c(N2CCC(S(=O)(=O)CC)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1589126082 WXMBTCYMDCNLKJ-OAQYLSRUSA-N 470.661 2.089 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 1595562420 YEBKMBDMZLCEQF-QGZVFWFLSA-N 477.491 2.367 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCC[C@H](c2ccnn2C)C1 1595593743 IILXCOIXZILFGV-KRWDZBQOSA-N 453.522 2.416 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCN(C(C)C)C2)C1 1595722993 PQGLIOQINUJFRD-XUVXKRRUSA-N 451.637 2.082 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(c2ccc(F)cc2F)CC1 1596781341 AQMJKLMEVWAQMN-UONOGXRCSA-N 452.531 2.494 30 10 JEEE Cc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@@](C)(C#N)C2)c(C)c1 1612079534 CBVSLXZQFSKYST-OFNKIYASSA-N 472.615 2.406 30 10 JEEE CCOC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CN(CC(C)C)CCO2)CC1 1615991903 IAVIDUSLAWREEY-QFIPXVFZSA-N 481.601 2.452 30 10 JEEE C#Cc1ccc(C(=O)N2CC[C@H]3[C@@H](C2)NC(=O)N3C2CCN(C(=O)OC(C)(C)C)CC2)nc1 1626484731 RRRMQQFTNMSZTG-UXHICEINSA-N 453.543 2.071 30 10 JEEE CC[C@@H](C#N)Oc1cc(CNC(=O)[C@H]2CCCCN2C(=O)c2ccc(O)nn2)ccc1OC 1633486052 ACHNSFWKUFDCPS-FUHWJXTLSA-N 453.499 2.183 30 10 JEEE C=C(C)CONC(=O)Cn1c(=O)c2c(ncn2Cc2ccccc2)n(Cc2ccccc2)c1=O 1640652809 MXCKUZYWJFKEQG-UHFFFAOYSA-N 459.506 2.080 30 10 JEEE C#CCC1(O)CCN(S(=O)(=O)c2cc(C(=O)OC)c(Cl)cc2Br)CC1 1656625045 ZOCBDJLOAZBSQV-UHFFFAOYSA-N 450.738 2.428 30 10 JEEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCCc1cnn(C)c1 1689861073 NPLIJPIPOBNDIO-QFIPXVFZSA-N 460.630 2.467 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H](OC)[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1689983705 FROIVEDTNMUUHK-MDKPJZGXSA-N 474.583 2.362 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cn2nc(C)cc2C)n1CC(=O)NCC(F)F 1690092625 OUZCKVWPXCAKLG-UHFFFAOYSA-N 459.476 2.300 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCCCO3)n2Cc2cc(C)nn2C)n1 1690109578 WWTHSRXYLJPLJX-NRFANRHFSA-N 452.563 2.093 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Cl)c3)n2CC(=O)NCc2ccco2)CC1 1690137931 MFOXECMOINFCDZ-UHFFFAOYSA-N 480.956 2.474 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCCNC(=O)OC(C)(C)C 1690206566 VBOUIGZZOGZRAZ-VGOFRKELSA-N 465.620 2.477 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2cnn(C)c2)CC1 1690236356 LUMBGLAUIRVQHR-NQIIRXRSSA-N 470.622 2.238 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](Oc2ccccc2)C1 1690345738 CDAABWOCTSWHMA-MOPGFXCFSA-N 482.006 2.411 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1690661048 TVOOHWRXLNLRRW-YGKZAACZSA-N 459.522 2.244 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](c2ccc(Cl)s2)C1 1690714121 FOURJPKIPOYSLU-CQSZACIVSA-N 488.035 2.310 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@H](NC(=O)CCC)C1 1690720883 SXKFLSQWGOBCDY-SFHVURJKSA-N 489.598 2.160 30 10 JEEE COC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2CCN(CCN(C)C)CC2)C1 1697030395 BFRIDRNUCULXHA-HSZRJFAPSA-N 479.629 2.480 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCN(C)CCCC)[C@H]1CCS(=O)(=O)C1 1705566073 XJTMJADKKQUAJT-NRFANRHFSA-N 454.600 2.175 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCCN2CCC[C@@H]2CO)CC1 1705634068 IKGYQDPZJDRDOR-LJQANCHMSA-N 490.450 2.028 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@H](OC)c2ccc(F)cc2)CC1 1705648479 XJRYSVBKSANAJQ-NRFANRHFSA-N 463.517 2.228 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2CC2([S@](C)=O)CCC2)CC1 1705650897 BSUXKVPUVYODNK-UMSFTDKQSA-N 483.638 2.433 30 10 JEEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@@H](C)c2nc(C(C)C)no2)CC1 1705725867 VWVSKLRLVCQKCV-IRXDYDNUSA-N 463.608 2.146 30 10 JEEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ccccc1S(=O)(=O)N(C)C 1705841839 DNUJKHRIPLDBPK-UHFFFAOYSA-N 496.641 2.373 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CC[C@H](CN2CCOCC2)C1 1705896112 BUQQKGZJZXBNGZ-OAHLLOKOSA-N 495.447 2.230 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CCN(C(=O)OCC)CC1 1705933952 WZLOMXIYVXRJKI-UHFFFAOYSA-N 461.588 2.387 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1Cc1ccnc(N2CCCCC2)c1 1706864275 HNLLZEDSXIZOOX-QGZVFWFLSA-N 472.619 2.062 30 10 JEEE CCc1ccccc1OCc1nnc(N(C)C[C@H](C)C#N)n1C[C@H]1CCCN1S(C)(=O)=O 1708939792 DPSQXCHKKPSMLO-IEBWSBKVSA-N 460.604 2.439 30 10 JEEE CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCN2CC)CC1 1710045880 FLWKECIMUALZIB-HSZRJFAPSA-N 478.645 2.291 30 10 JEEE CN(CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(OCC(N)=O)CC1)C1CCCC1 1711207904 GWSMZQFKVSBZJX-UHFFFAOYSA-N 451.575 2.162 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H]1CCCc2ccccc21)[C@@H]1CCS(=O)(=O)C1 1722357760 ABPVJWRPAFZSSQ-WOJBJXKFSA-N 469.611 2.163 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CC1(SC)CCN(C)CC1)[C@H]1CCS(=O)(=O)C1 1722359181 IXOTULVJRNOIQA-NRFANRHFSA-N 498.678 2.271 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1CC[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1722370021 KIJHDBQGXVZKAT-ROUUACIJSA-N 462.547 2.050 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2CCC[C@H]2OC)CC1 1722443078 BRMOCBZNADXVDP-OTPAQWSUSA-N 473.618 2.100 30 10 JEEE C#CCSCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1722454810 NNGUJQHYRSVXTB-NVXWUHKLSA-N 471.583 2.052 30 10 JEEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1722479244 GWQYMZWNJLQCPB-QFBILLFUSA-N 458.401 2.212 30 10 JEEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1722481446 ZIZDWTRDRYYWBC-GDBMZVCRSA-N 455.357 2.222 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)N1CCc2ccccc21 1722682226 YKSXIAFITSYNGS-ICSRJNTNSA-N 459.616 2.270 30 10 JEEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1CCCC(C)C)[C@H]1CCS(=O)(=O)C1 1740625398 QHQDSHJFAXHMSI-KRWDZBQOSA-N 463.629 2.333 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CCOc1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 1740625829 QODYJJSYBUXEEN-OAQYLSRUSA-N 465.579 2.278 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1C[C@@H]1CCS(=O)(=O)C1 1740630427 CFHVAVQPNGHUOO-MOPGFXCFSA-N 456.568 2.324 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ccccc1C(C)C 1740671613 KXAPNUSQTNPUNU-NRFANRHFSA-N 475.615 2.273 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](CC)Oc2cccc(F)c2)CC1 1740705892 NSRKOEJGLZIQGR-TZIWHRDSSA-N 482.560 2.192 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1740709169 BVOQLLHIFJXWAW-HTAPYJJXSA-N 456.572 2.066 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1740759325 IOYMWVXCYGNBII-REWPJTCUSA-N 488.658 2.495 30 10 JEEE C=C(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1740786034 NIJILSRPOBVSOP-UYAOXDASSA-N 491.662 2.326 30 10 JEEE C=C(C)COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCc2nn(C)c(=O)cc2C1 1740787601 HAAIJMBNWBNDSN-UHFFFAOYSA-N 451.487 2.102 30 10 JEEE C=C1CCN(c2nnc(C(=O)NC(C)C)n2CCN2CCN(Cc3ccccc3)CC2)CC1 1740817505 IDKBQYBPAKOPHX-UHFFFAOYSA-N 451.619 2.391 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCOCC(C)C)CC1 1740839285 IACGOSVNQSBVMT-LJQANCHMSA-N 455.625 2.076 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(C(N)=O)CCCC1 1740923802 WDNCIFBHEPJCGA-INIZCTEOSA-N 463.629 2.480 30 10 JEEE C=CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1740949324 RKBXXIZEEIXFRH-NRFANRHFSA-N 475.615 2.291 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(N2CCNC2=O)CC1 1740952814 OLOLVSSBRPUWIG-INIZCTEOSA-N 487.992 2.368 30 10 JEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2ccccc2F)C[C@@H]1C 1740963659 SSQIYRBQCHXZJK-IBGZPJMESA-N 466.565 2.296 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCc2oncc2C1 1740964951 JWCSRGYDXMZVPT-INIZCTEOSA-N 457.535 2.203 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCC(=O)NC)C1 1740981751 XAACDJRTUFIBRT-MSOLQXFVSA-N 462.595 2.310 30 10 JEEE CCCNC(=O)CCn1c(Cc2ccccc2F)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1745785226 GZTWCDWSIWPAPL-GOSISDBHSA-N 491.575 2.301 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H](C)c1ccc(OC)cc1 1748672168 QVORXHRSBMCZMQ-LQWHRVPQSA-N 475.615 2.271 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H](C)Oc1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 1748812404 VFKRCKDUNXGHEG-MOPGFXCFSA-N 466.567 2.138 30 10 JEEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCCSc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1748816046 WBLRGZQYAFYQLT-IEBWSBKVSA-N 473.624 2.038 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1ccc(C[S@](C)=O)cc1)[C@H]1CCS(=O)(=O)C1 1748818162 WSWLPZPOWJWVKC-GEFUHLBYSA-N 476.668 2.420 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccc(F)cc2)n1C[C@]1(N2CCOCC2)CCSC1 1748860344 WDWLEEZQDALOIQ-XMMPIXPASA-N 469.586 2.277 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C(=O)N2CCCCC2)cc1 1748892308 NKYVFTZMSFJOBY-QHCPKHFHSA-N 493.633 2.318 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@](C)(O)c2ccsc2)CC1 1748979216 XQPAGYAMKNAIML-XZOQPEGZSA-N 459.616 2.043 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2CC2CCN(C(=O)OC)CC2)CC1 1749005980 DHCOHVOUCSGSHR-UHFFFAOYSA-N 494.596 2.398 30 10 JEEE C=C(C)Cn1c(CCOc2ccccc2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1749200424 GFQCSYKACHXGDJ-NFBKMPQASA-N 452.603 2.465 30 10 JEEE COCC1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)c2cc[nH]n2)CC1 1749388395 GZBTYRKKOCXLLA-UHFFFAOYSA-N 478.557 2.135 30 10 JEEE CC(C)NC(=O)CN(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1cccnc1-n1cccn1 1750989578 CESFZEWXCRFMRE-UHFFFAOYSA-N 485.552 2.319 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@](C)(OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1760180493 GKJNOIZDJBMBTH-UZLBHIALSA-N 496.431 2.478 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1ccc(COCC)cc1)[C@@H]1CCS(=O)(=O)C1 1760190861 VIXCRQSLECOJEA-HSZRJFAPSA-N 479.606 2.475 30 10 JEEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCN(C)CCOC 1760205596 FSRFGJLHSAHDEL-UHFFFAOYSA-N 458.607 2.044 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCN2CCCC[C@H]2C)CC1 1760264582 ADVIJHOJOSZIIN-HXUWFJFHSA-N 492.628 2.156 30 10 JEEE C#CCSCCn1c(CSc2ccc(C)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1760286315 HVBUOTBYYFRSBZ-UHFFFAOYSA-N 465.670 2.327 30 10 JEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1760348702 IZGHEAZQCREFQC-UHFFFAOYSA-N 465.480 2.478 30 10 JEEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1760353951 KGMLXERXMLEVRG-UHFFFAOYSA-N 469.011 2.352 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(C)=O)C[C@@H]1C)C(C)C 1760488303 RFTGZXBFAWDOSU-RBBKRZOGSA-N 471.650 2.270 30 10 JEEE C=CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCC[C@H](O)C1 1760502638 HGOFVGYBOIFKCU-MSOLQXFVSA-N 462.620 2.428 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)c1sc(CC)nc1C 1760522367 RTJVQVZBUQSGFC-LSDHHAIUSA-N 466.633 2.007 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 1760522849 ZPKFKVUXEAFOML-YLJYHZDGSA-N 498.584 2.444 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCN(C2CCCCC2)C(=O)C1 1760524763 IRJXZHSSCFNSCE-UHFFFAOYSA-N 466.586 2.161 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCNC(=O)c2ccc(C)cc2)C1 1760534378 XGIIFDUJPFAEMK-FQEVSTJZSA-N 452.559 2.034 30 10 JEEE CCC[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1765462207 CSZUKZDDJLFSEU-PXDATVDWSA-N 482.585 2.107 30 10 JEEE CNC(=O)[C@@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CCCC2)C1 1767607162 FHKPXNHUXUOHMH-QFIPXVFZSA-N 470.599 2.137 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1ccccc1)N1CCCC1 1772564414 XJOLTMZXZQVHPK-RTWAWAEBSA-N 474.631 2.070 30 10 JEEE O=C(ON1C(=O)c2ccccc2C1=O)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCCO2)c1 1772791203 PAYNVGASEZNMAS-CYBMUJFWSA-N 464.883 2.165 30 10 JEEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccc(O)c([N+](=O)[O-])c1 1862610556 NYGUQOOENJANKC-WLRWDXFRSA-N 456.407 2.031 30 10 JEEE C=CCOc1ccccc1[C@@H]1C(C(=O)NCCC2=CCCCC2)=C(N)Oc2c1c(=O)n(C)c(=O)n2C 1865721283 OIXWDSWKJMLFIP-HXUWFJFHSA-N 492.576 2.350 30 10 JEEE C=CCN(CC=C)c1nc(=NC(=O)c2ccc(NS(C)(=O)=O)cc2)n(-c2ccccc2)[nH]1 1870001779 SVRXBQGTXWSADJ-UHFFFAOYSA-N 452.540 2.491 30 10 JEEE COc1ccc(CCN2C[C@@H](C(=O)Nc3c(C#N)nnn3Cc3ccccc3F)CC2=O)cc1OC 1870109065 IDLXFRATTWXXCF-SFHVURJKSA-N 492.511 2.384 30 10 JEEE C=CCn1cc(OCC(=O)NC2CCCCC2)c(=O)cc1CNc1ccc(S(N)(=O)=O)cc1 1870924743 OSDHEYIUYKEWJY-UHFFFAOYSA-N 474.583 2.122 30 10 JEEE O=C1C[C@@H](c2nnc(SCCO)n2/N=C/c2ccc(O)c([N+](=O)[O-])c2)CN1Cc1ccccc1 1874208862 QHBUGRQHPCJSOC-UXHMZNKVSA-N 482.522 2.375 30 10 JEEE C=CCn1c(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc2c(NCCN3CCOCC3)ncnc21 1875227503 BZANVOBCBCULQI-UHFFFAOYSA-N 493.587 2.463 30 10 JEEE CCN1CCN(CC#CCOC2CCN(C(=O)c3cc(-c4ccc(F)cc4)nn3C)CC2)CC1 1889569222 POUPNNHRBIYLHZ-UHFFFAOYSA-N 467.589 2.488 30 10 JEEE N#Cc1cccnc1OC1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc(F)c2)CC1 1891876962 VFKVUVNKHOCGPV-FQEVSTJZSA-N 458.515 2.315 30 10 JEEE CC(C)(C)OC(=O)NCCC(CCNC(=O)OC(C)(C)C)NS(=O)(=O)c1cccnc1C#N 2140764619 RDUDNVANEXXPGL-UHFFFAOYSA-N 483.591 2.430 30 10 JEEE C[C@H](C(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1)N1CCN(C(=O)OC(C)(C)C)CC1=O 2180986456 CECQWYISEKABJV-MRXNPFEDSA-N 463.384 2.244 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCON(C(=O)OC(C)(C)C)C1 2255625422 QZRFFCYTUFFNQH-CYBMUJFWSA-N 453.370 2.422 30 10 JEEE CN(CC[S@](C)(=O)=NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1)C(=O)OC(C)(C)C 2255703076 OMOQEAPMPLPYBX-HKBQPEDESA-N 455.386 2.419 30 10 JEEE CN(Cc1csc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C 2256678155 AZTSWBDZCMFOQD-OAHLLOKOSA-N 454.398 2.281 30 10 JEEE C[C@@H](CNS(=O)(=O)c1c(F)cc(F)cc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2267472650 TUDUECQFYMOWPT-LBPRGKRZSA-N 476.351 2.456 30 10 JEEE C[C@H]1[C@@H](NC(=O)C(F)(F)F)[C@H](C)CCN1C(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2267484551 GYXSXHBSIREQPC-WOPDTQHZSA-N 461.315 2.360 30 10 JEEE COCC1(NC(=O)OC(C)(C)C)CC(NC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C1 2267549179 KMBIZGWLDSWWQI-UHFFFAOYSA-N 467.397 2.244 30 10 JEEE C=C(CS(=O)(=O)N1CCO[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]21)B1OC(C)(C)C(C)(C)O1 2267726882 RCPBSXCLPDBQAP-IRXDYDNUSA-N 472.413 2.214 30 10 JEEE CCN(CCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(O)cc1O)C(=O)OC(C)(C)C 2267804908 BQKQYFPHUUCAOE-UHFFFAOYSA-N 450.341 2.384 30 10 JEEE C[C@H](NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1)c1nscc1B1OC(C)(C)C(C)(C)O1 2268633296 RMUOFPMWWAPANG-DZGCQCFKSA-N 467.397 2.255 30 10 JEEE CC(C)(C)OC(=O)NC1(CO)CCN(C(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)CC1 2281929213 WVGMMYSMKMJSTB-UHFFFAOYSA-N 460.380 2.478 30 10 JEEE C[C@@H]1C[C@H](CNC(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2281970223 DSLTZTAOLGAUQZ-HZPDHXFCSA-N 462.400 2.342 30 10 JEEE Cc1nn(C)c(C(=O)N2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2281981310 GUFWIRFDPAAPIZ-MRXNPFEDSA-N 462.400 2.357 30 10 JEEE Cc1nn(C)c(C(=O)N[C@H]2C[C@H](F)CN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2281985701 LLFIKAFGKFWHRK-GJZGRUSLSA-N 466.363 2.105 30 10 JEEE Cc1nn(C)c(C(=O)N(C)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2281993183 XRMQDTDESQQFPS-INIZCTEOSA-N 462.400 2.499 30 10 JEEE CCc1nc(C(=O)N2CCOC[C@@H]2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2282023808 RVOPFSFMPZJTFP-AWEZNQCLSA-N 481.424 2.370 30 10 JEEE CC(C)(C)OC(=O)N1CCn2[nH]c(=NC(=O)c3ncsc3B3OC(C)(C)C(C)(C)O3)cc2C1 2282031020 NEJFZJNAFDUHDT-UHFFFAOYSA-N 475.380 2.064 30 10 JEEE C[C@@H]1CN(C(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C[C@]1(C)CNC(=O)OC(C)(C)C 2282035733 YYPPOAHJEALMAX-CMJOXMDJSA-N 462.400 2.342 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1CCCCN(C(=O)OC(C)(C)C)C1 2282042957 GSORRZDTENNMIE-INIZCTEOSA-N 462.400 2.486 30 10 JEEE Cn1cc(C(=O)N2CCC[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)nc1B1OC(C)(C)C(C)(C)O1 2282050300 ACVYCOOHDGMVJU-RDJZCZTQSA-N 460.384 2.191 30 10 JEEE Cc1cc(C(=O)NCC2(O)CCN(C(=O)OC(C)(C)C)CC2)oc1B1OC(C)(C)C(C)(C)O1 2282059884 ORDDTQCIXDDVHF-UHFFFAOYSA-N 464.368 2.379 30 10 JEEE CC1(NS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CCN(C(=O)OC(C)(C)C)CC1 2282351716 FFEFAJBYRBKCLI-UHFFFAOYSA-N 481.424 2.449 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1COC[C@@H]1NC(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1F 2282400502 GSIAVTJXXKEEDK-PBHICJAKSA-N 464.343 2.394 30 10 JEEE COC1(CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2F)CN(C(=O)OC(C)(C)C)C1 2282403632 WAMRQFXWYGLLBJ-UHFFFAOYSA-N 464.343 2.491 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NCc2csc(NC(=O)OC(C)(C)C)n2)n1 2282504797 UTQCQRANSLEJAJ-UHFFFAOYSA-N 499.424 2.001 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC[C@H](NC(=O)OC(C)(C)C)C(F)(F)F)n1 2282539185 QCKGXYITKAHKGU-ZDUSSCGKSA-N 476.305 2.295 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CCC2(C)C)n1 2282539586 WOYOGWLLIRNPMF-MRXNPFEDSA-N 462.400 2.485 30 10 JEEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)C1NC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2282548365 XHWFUEOUSXNEIK-HUUCEWRRSA-N 462.400 2.341 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 2282591028 KFFBCFDFHCPQKO-BFYDXBDKSA-N 460.384 2.187 30 10 JEEE C[C@H]1CC[C@H](CNC(=O)C(F)(F)F)N(C(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282674164 GUHCKDZQJFSOBT-XJKSGUPXSA-N 455.286 2.300 30 10 JEEE C[C@H]1CN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C[C@@H](C)[C@@H]1NC(=O)OC(C)(C)C 2282676437 KWYURDLGIORRLE-QLPKVWCKSA-N 460.384 2.397 30 10 JEEE COc1ccc(S(=O)(=O)NC[C@H]2CCN2C(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2282881695 AXQTYDSGGWOVGL-OAHLLOKOSA-N 482.408 2.282 30 10 JEEE CC(C)(C)OC(=O)N1CC=C[C@H]1CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(O)cc1O 2282968405 VPPSPYITCVBBLJ-AWEZNQCLSA-N 460.336 2.302 30 10 JEEE CC1(C)OB(c2ccc(O)c(C(=O)NC[C@H]3CCCN(C(=O)C(F)(F)F)C3)c2)OC1(C)C 2282977411 ZEUSJYQMFMYXAH-CYBMUJFWSA-N 456.270 2.222 30 10 JEEE CO[C@H]1CN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2C)C[C@H]1NC(=O)OC(C)(C)C 2285198638 PIPRHGAHSIPSSE-SJORKVTESA-N 461.368 2.053 30 10 JEEE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(C#N)cc3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 2297635337 VTGHVUPSOXVRDK-JOCHJYFZSA-N 473.510 2.399 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1C[C@H](CNC(=O)OC(C)(C)C)C1(C)C 2362325216 BUVHFNJBZNKSKT-CABCVRRESA-N 462.400 2.389 30 10 JEEE C[C@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)C[C@@H](C)CN1C(=O)OC(C)(C)C 2362354869 WWAMVWHZROYOTE-CVEARBPZSA-N 462.400 2.437 30 10 JEEE CNC(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)[C@H]1C[C@@H](B2OC(C)(C)C(C)(C)O2)C1 2369308902 ZSRDCJYUWPFZGK-BBWFWOEESA-N 465.400 2.443 30 10 JEEE CC(C)(C)OC(=O)N1CC(N2CCN(c3cc(B4OC(C)(C)C(C)(C)O4)c(F)cn3)CC2)C1 2371989735 GPYRZXZWKBYDOI-UHFFFAOYSA-N 462.375 2.261 30 10 JEEE Cc1nc2c(C)cccn2c1/C(O)=C1/C(=O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccncc1 103113761 QQNDJIVIIRCNFT-NNWMPZTLSA-N 461.522 2.100 30 10 JEEE COc1cccc([C@H]2/C(=C(/O)c3ccncc3)C(=O)C(=O)N2CCCN2CCOCC2)c1OC 103222352 NUFJXVJKESZMHC-AGGMBTAESA-N 467.522 2.243 30 10 JEEE CC(C)(O)CC[C@H](O)[C@](C)(O)[C@@H]1CC[C@]2(O)C3=C/C(=N/O)[C@@H]4C[C@H](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@]12C 504242623 CBQFTGKSOCYQEV-CBSCUZKDSA-N 495.657 2.115 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)[C@@H](C)[S@@](=O)CC(=O)Nc3cccc([N+](=O)[O-])c3)cc21 586348834 GPCBSNIAWRFGPR-GSLRCMBYSA-N 471.491 2.465 30 10 JEEE CS(=O)(=O)N=C1C=CC(=C(O)/C(=C(/S)NCCc2ccccn2)[n+]2cccc(O)c2)C=C1 728556286 HQUGQQPOMNMNBK-UHFFFAOYSA-O 471.584 2.302 30 10 JEEE C=CCNc1nnc(SCC(=O)N2CCN(S(=O)(=O)/C=C\c3ccccc3)CC2)s1 749416186 LKKCCJYYKBNOTP-ZSOIEALJSA-N 465.626 2.373 30 10 JEEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCc1cccc(C(=O)NC)c1 1147584718 DPURPXXZAMCORX-LJQANCHMSA-N 456.568 2.002 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1cccc(C(C)(F)F)c1)[C@H]1CCS(=O)(=O)C1 1286390154 XXMPVJPOPGLJAQ-IBGZPJMESA-N 474.537 2.465 30 10 JEEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1Cc1c(C)coc1C)[C@H]1CCS(=O)(=O)C1 1286392820 CIHXGPPNBCCPOA-KRWDZBQOSA-N 487.607 2.154 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1Cc1cnn(CC)c1)[C@@H]1CCS(=O)(=O)C1 1286394673 PLJLWNWQCMTDEZ-OAQYLSRUSA-N 452.584 2.069 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H](C)Oc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1286398935 UDXQZTFKUUHPQN-XKGZKEIXSA-N 462.547 2.363 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2cccc(C(=O)NCCC)c2)CC1 1286480658 OQLGLBBTTWODRY-QFIPXVFZSA-N 450.587 2.463 30 10 JEEE C=C(Br)Cn1c(N2CCN(CCOC(C)C)CC2)nnc1[C@@]1(OCC)CCOC1 1286547261 GDSWGFDCHHTTLK-HXUWFJFHSA-N 472.428 2.386 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(S(C)(=O)=O)CC1 1286565296 ZZWBSQBMXMWQMQ-UAFMIMERSA-N 481.663 2.260 30 10 JEEE C=C1CCN(c2nnc([C@H](C)OCCOC)n2CCCN2C(=O)NC3(CCCC3)C2=O)CC1 1286637556 HKBRYRCSSLPYGI-SFHVURJKSA-N 460.579 2.413 30 10 JEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](Oc2ccccn2)C1 1286688927 UPCXAHMYFTYBDE-OALUTQOASA-N 476.603 2.020 30 10 JEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1c[nH]c2cccc(C)c12 1286726849 JEZGTYDQEVNCQE-LJQANCHMSA-N 458.588 2.266 30 10 JEEE C=CCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1286771409 ORXQWWNWCJWEFH-QGZVFWFLSA-N 454.531 2.400 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1286780389 FDGAENIGARXNLJ-OAQYLSRUSA-N 491.600 2.499 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CCC2(CC1)CNC(=O)C2 1286782232 OTRQQIAWTGVPFT-UHFFFAOYSA-N 473.375 2.116 30 10 JEEE CC(C)(C)C(=O)NCCn1c(-c2cnccn2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1286987381 FRCWUTFUFBYRJD-UHFFFAOYSA-N 477.548 2.235 30 10 JEEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1cccc(Cl)c1 1288524269 AXBHGZVSXDBTNP-QAPCUYQASA-N 482.994 2.082 30 10 JEEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC(F)F)c(OCC)c1 1300458710 LFUXCJJRJRJUKL-HNNXBMFYSA-N 454.499 2.298 30 10 JEEE C#CCN(c1nnc(C)n1Cc1cccc(NC(=O)C2CCCC2)c1)[C@H]1CCS(=O)(=O)C1 1300484692 RIQSDBYSMGNEJH-NRFANRHFSA-N 455.584 2.390 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(N2CCOC2=O)cc1 1300596554 TUMORDPNUVNCTO-UNMCSNQZSA-N 463.538 2.470 30 10 JEEE C#CCN1CCN(c2nnc(-c3nn(C(C)C)c(=O)c4ccccc34)n2CCOC(C)C)CC1 1300698653 XIBCYMJALXTXGY-UHFFFAOYSA-N 463.586 2.416 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC(=O)N(C)CC)CC1 1300712146 NFTBQCHERMQCPB-KRWDZBQOSA-N 470.549 2.001 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CCC2(O)CCC2)CC1 1300717146 ZYTKACALDHRZDF-UHFFFAOYSA-N 497.596 2.242 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@@H](c2cccc(C)c2)N2CCOCC2)CC1 1300731331 OOUINPUCRPJQEI-DEOSSOPVSA-N 494.640 2.162 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2cccc(C)c2)nnc1N1CCN(CCOC)C(=O)C1 1300893146 XUVYWCHDPTYPTO-RDPSFJRHSA-N 469.586 2.442 30 10 JEEE COC[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1300984351 AEJOQVKMPOXAHK-GHTZIAJQSA-N 451.531 2.113 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cn(CCCC)nc2C)CC1 1301124057 FSXZERZKGWNODX-NRFANRHFSA-N 491.662 2.367 30 10 JEEE C=CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@H](S(C)(=O)=O)C1 1301185391 BYNLZTMQUGKFOB-INIZCTEOSA-N 456.572 2.172 30 10 JEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C(C)(C)C)C1 1301189226 SWEJELLOPMPBGT-ROUUACIJSA-N 455.625 2.219 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCC([C@@H]2CCOC2)CC1 1301515496 VMVKLVMNSJZTOX-LJQANCHMSA-N 455.559 2.421 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(C)n3)n2Cc2cccc(S(=O)(=O)NC)c2)C1 1301554067 BTGQJTPQOPZYFA-IBGZPJMESA-N 468.583 2.386 30 10 JEEE CC(C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1)N1CCOCC1 1302512008 ANJYLRNLVVBGRU-YADHBBJMSA-N 486.642 2.187 30 10 JEEE Cc1nn(C)c(N2CCN(S(=O)(=O)Cc3ccc(Br)cc3F)CC2)c1C#N 1309407009 DONPEOLYRVNGNA-UHFFFAOYSA-N 456.341 2.154 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1nnc2n1CCCCC2 1358890110 KZWZNXXQCYWPDT-ROUUACIJSA-N 484.605 2.411 30 10 JEEE C#CCCCCn1c(-c2ccc[nH]2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1358909784 RPQGZJSDJKMMPR-UHFFFAOYSA-N 459.601 2.353 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H](C)N(C)C1CC1)[C@H]1CCS(=O)(=O)C1 1358954897 AFTDAQFGEGETMG-UGKGYDQZSA-N 498.653 2.257 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccccc1OCCN(C)C)[C@H]1CCS(=O)(=O)C1 1358955059 CWMPKXBFAOZOEU-FQEVSTJZSA-N 473.643 2.191 30 10 JEEE C#CCN(c1nnc(-c2ccccc2)n1CCOCC(F)(F)C(F)F)[C@H]1CCS(=O)(=O)C1 1358959168 CXNVYWIVWJDZHS-INIZCTEOSA-N 474.480 2.489 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@H]1CCCS1)[C@H]1CCS(=O)(=O)C1 1358959933 SHZTWWBFRZEYAX-FUHWJXTLSA-N 476.624 2.485 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1CCCCN1CCC[C@@H]1CO 1358971214 LYCADSRXRVQTKY-LJQANCHMSA-N 473.419 2.356 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[S@](=O)C(C)(C)C)CC1 1359041758 HSLYFVIZOFNTHH-XIFFEERXSA-N 466.611 2.330 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](CN(CC)CC(F)(F)F)C1 1359056510 GPRLAOZCZRTNGU-DLBZAZTESA-N 493.621 2.257 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1359090308 YOIDIODNALDPHB-FAJBIJEISA-N 476.603 2.164 30 10 JEEE C=CCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(C(=O)OC)CC1 1359223450 LKMQPEROWBWDOX-UHFFFAOYSA-N 462.572 2.331 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC[C@@H]3OCC[C@@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1359305500 FEKAOGFUGRHCKQ-YRXWBPOGSA-N 474.606 2.356 30 10 JEEE CC(=O)N[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCN(C(C)C)CC2)C1 1359423075 BIVHDAUWVPOYHZ-JOCHJYFZSA-N 495.628 2.069 30 10 JEEE CC(=O)NCCN(Cc1ccsc1)c1nnc(-c2cccc(C#N)c2)n1Cc1cnnn1C 1359464688 BOYCFVUEOCLMPO-UHFFFAOYSA-N 461.555 2.198 30 10 JEEE CC(C)OCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1360406038 HLJOLQRZMUXIKF-NRFANRHFSA-N 454.575 2.312 30 10 JEEE C=CCOc1cc(OC)ccc1C(=O)N1CCN(C(=O)c2cccc(S(C)(=O)=O)c2)CC1 1360681553 HUBKRVGBWOLYAR-UHFFFAOYSA-N 458.536 2.262 30 10 JEEE N#Cc1cn(CCNC(=O)Nc2ccc(Br)cc2Br)c(=O)nc1O 1475911665 DQTOJNQJOKDOPL-UHFFFAOYSA-N 457.082 2.167 30 10 JEEE C=C(C)CN1CCC(NC(=O)N2C[C@@H](C(=O)OC)C3(C2)CN(C(=O)OC(C)(C)C)C3)CC1 1477803779 WVODRHLPMFMOQD-SFHVURJKSA-N 450.580 2.078 30 10 JEEE CO[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1)C(C)C 1504001785 FJVFZKUATAUSOO-WOJBJXKFSA-N 461.588 2.413 30 10 JEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(=O)c2cccc(F)c2)CC1 1507557906 UQEHEPMWCZJPPI-SFHVURJKSA-N 490.605 2.183 30 10 JEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H]2CCCN2C[C@H]1C 1507576553 MMQQVSGKXCPNHQ-UYAOXDASSA-N 456.616 2.282 30 10 JEEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1C[C@H](C)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1507625549 KCHXWULOLCBZJU-MDNUFGMLSA-N 485.654 2.167 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1CCc1ccc(OC)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1507630751 GVTLHJIRCZJFID-LJQANCHMSA-N 469.542 2.357 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1cccnc1OCCC)[C@H]1CCS(=O)(=O)C1 1507636068 YCCQFUSHTCSDRB-NRFANRHFSA-N 480.594 2.123 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@H]1CCCN1CC)[C@@H]1CCS(=O)(=O)C1 1507640586 UCWTWRDDTYFSQU-RTBURBONSA-N 475.590 2.107 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@]1(O)CCO[C@@H]1C 1507676870 RHUOAWLJGBJBSJ-FLFXDLLNSA-N 457.575 2.052 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2Cc2ncnn2C(C)(C)C)CC1 1507734649 SHLZDGNNYIUZKC-UHFFFAOYSA-N 476.585 2.314 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2CC[S@](=O)C(C)(C)C)CC1 1507735425 WBXJEFDAHBNOID-XIFFEERXSA-N 471.627 2.467 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2ccc(OC(C)(C)C)nc2)CC1 1507740686 DCUJDWMYOMCXPH-UHFFFAOYSA-N 454.575 2.401 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2CCN2CCC[C@@H]2C)CC1 1507741365 QMKUXDMXAKCHJR-IBGZPJMESA-N 468.577 2.446 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1507765553 SWIVJKNVGLEREZ-VWKPWSFCSA-N 468.624 2.136 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(C(=O)NCCOC)CC1 1507804428 GASGZYOBGSLFJK-GGAORHGYSA-N 485.633 2.100 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2ccc3c(c2)OCO3)n1CCS(=O)(=O)N1CCSCC1 1507819047 ZHUVZYSLRMXTEV-UHFFFAOYSA-N 479.628 2.455 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCCC[C@H]1CC 1507820733 LKOZGBSNWUPBTN-UXHICEINSA-N 468.668 2.278 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccccc1N1CCOCC1 1507843790 UHCMIVIUUOCFTE-FQEVSTJZSA-N 454.575 2.295 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1507915648 YUZVXTGZRHXPLD-FQEVSTJZSA-N 471.650 2.402 30 10 JEEE C=CCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCCC[C@@H](S(C)(=O)=O)C2)cc1 1508100326 IRQXMEWCPFHMJQ-WOJBJXKFSA-N 473.599 2.246 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](CC)NC(=O)OC(C)(C)C)C1 1508125128 NWWZRTBIPHXMIQ-OKZBNKHCSA-N 483.635 2.265 30 10 JEEE CCOC1CC(O)(Cn2c(-c3ccc(Br)s3)nnc2N2CCO[C@@H](C#N)C2)C1 1516391501 HYHZKWBJNWNRFW-XYEKJYRLSA-N 468.377 2.428 30 10 JEEE CN(C)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1)c1ccco1 1516979035 FVOZGPKNSSCNHX-FQEVSTJZSA-N 483.598 2.184 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCc1ccccc1OC)[C@H]1CCS(=O)(=O)C1 1539221591 QIRHVOYOLXDFPJ-FPOVZHCZSA-N 458.584 2.398 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CC(C)(C)c1ccccn1)[C@H]1CCS(=O)(=O)C1 1539224871 JJQWVEVABWFWTF-FQEVSTJZSA-N 464.595 2.263 30 10 JEEE C#CCN(CC)c1nnc(-c2cnn(C)c2)n1C[C@@H]1C[C@@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1539363920 YCIYSFMTOJTNSL-NEWSRXKRSA-N 455.563 2.163 30 10 JEEE C#CCN1CCN(c2nnc(-c3nn(CCC)c(=O)c4ccccc34)n2CC(C)(C)CN(C)C)CC1 1539446361 XGEGDTKOBAFFTJ-UHFFFAOYSA-N 490.656 2.408 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCOCC(F)F)CC1 1539447946 ZNXQLJWOADSLIW-GOSISDBHSA-N 482.576 2.430 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCOC2(CCOCC2)C1 1539614741 BNXJLIOCMNRNDH-ZCNNSNEGSA-N 450.580 2.369 30 10 JEEE C=C(Cl)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 1539782604 ACFXAKVAHDCLOF-SFHVURJKSA-N 498.993 2.483 30 10 JEEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 1540874211 YEUDUZVRUBRUCL-QFIPXVFZSA-N 452.603 2.169 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1540897822 SXLOTAGAYYDGMZ-IRXDYDNUSA-N 479.578 2.215 30 10 JEEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2c(C)noc2C)C1 1547779511 DZZXUBLYSRKYHX-LJQANCHMSA-N 469.571 2.182 30 10 JEEE Cc1nc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)sc1Br 1561338771 HEQQHWPQMDKGIN-SNVBAGLBSA-N 451.368 2.348 30 10 JEEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2cc(C)cc(CNC(=O)C(F)(F)F)c2)c1 1569015007 UZSWQCIRZHJAEV-UHFFFAOYSA-N 453.442 2.337 30 10 JEEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@@H](CC(C)C)C(=O)N3CC[C@H](N(C)C)C3)n[nH]2)c1C 1569836196 PODFVHDJFZVRBO-RXVVDRJESA-N 455.607 2.383 30 10 JEEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1587701761 JWECSROGYWRUJM-FQEVSTJZSA-N 462.558 2.448 30 10 JEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)c2ccsc2)CC1 1587765608 IRIJASRSYRBLOP-SFHVURJKSA-N 475.640 2.444 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1cc(F)ccc1OC)[C@H]1CCS(=O)(=O)C1 1588045873 RXJOCMKGCUVXMZ-SFHVURJKSA-N 455.515 2.163 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC(C)(C)N2CCCCC2)CC1 1588762016 DQMFQWXITKCJMV-UHFFFAOYSA-N 484.670 2.368 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2C[C@]2(O)CCN(C)C2)CC1 1588768781 KZPNDINSQUWKEJ-NRFANRHFSA-N 493.837 2.183 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCNC(=O)c2ccc(C)c(F)c2)CC1 1588929791 GVYJQFXFQWDVQB-QFIPXVFZSA-N 496.587 2.363 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CC(=O)Nc2c(C)cccc2C)CC1 1588930576 ZIABLWDMISSTMX-HXUWFJFHSA-N 464.570 2.003 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CC2(CCOC)CCC2)CC1 1588954111 ABFVHVLUTAEBAS-UHFFFAOYSA-N 450.587 2.437 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC(=O)NCc2ccccc2)CC1 1594237335 QPACFKCEGSOGKL-FQEVSTJZSA-N 457.600 2.289 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCSCC1 1595303756 ZBNMNVBUQZMUHM-IBGZPJMESA-N 496.678 2.274 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCOC(C)(C)C 1595551427 QNCCJQYSGFZQAZ-KRWDZBQOSA-N 480.610 2.140 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 1595577562 XEWOTTPOZYQIEQ-IBGZPJMESA-N 495.584 2.382 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN(C)Cc2ccc(F)cc2)C1 1595722535 KTGMDCQEEGYVRY-CTNGQTDRSA-N 477.606 2.233 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCCc2ccccc2)nnc1N1CCO[C@@]2(CCOC2)C1 1595822075 GIFCBFUNENFJPG-QHCPKHFHSA-N 460.600 2.050 30 10 JEEE C#CCCOc1ccc(C(=O)N2CCN(CCNS(=O)(=O)c3ccc(C)cc3)CC2)cc1 1616265519 KRVWEPDHBBEOMW-UHFFFAOYSA-N 455.580 2.133 30 10 JEEE C=CCN1CC[C@@H](N(C)C(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCCCC3)c2)C1=O 1622745303 MBHXKXGGPBVOAZ-QGZVFWFLSA-N 450.561 2.120 30 10 JEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C)[C@H](C)c1cccc(N2CCOC2=O)c1 1635235789 AVWIFVMZKVSFCA-HZPDHXFCSA-N 456.524 2.401 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)N2CC[C@@H](c3ncc(C(=O)OC)s3)C2)ccc1F 1636395681 XYQREWAYZKRHJL-CYBMUJFWSA-N 453.517 2.163 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2C[C@@H]3Oc4c(F)ccc(F)c4O[C@@H]3C2)C1 1679943962 FGTLFFIDFHFXNS-BJKJVOPESA-N 450.442 2.257 30 10 JEEE N#Cc1cn(CCNC(=O)NCC2(c3ccc(Br)s3)CCC2)c(=O)nc1O 1681028356 CMBHJOXEBMNYIJ-UHFFFAOYSA-N 452.334 2.066 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1ccc(C(N)=O)nc1 1690045673 OZGFAYDFFVBEFM-FQEVSTJZSA-N 491.596 2.398 30 10 JEEE C#CCN(CCOC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCN1CCOC[C@H]1C 1690103291 BQKMOAVABNKJSK-HXUWFJFHSA-N 490.649 2.199 30 10 JEEE C=C(C)COCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1690312679 AKPZMDMRALTYSW-FXAWDEMLSA-N 462.572 2.397 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCN1CCC[C@@H]1C 1694346850 AIBGYGAFZFXMFI-IBGZPJMESA-N 479.633 2.274 30 10 JEEE CCc1nc(CCn2c(C(=O)NC(C)C)nnc2N2CCCN(c3ccccc3C#N)CC2)no1 1694580915 ASVMBMSKHATFTL-UHFFFAOYSA-N 477.573 2.193 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1csc([C@H](C)OC)n1)[C@H]1CCS(=O)(=O)C1 1705566473 OOHKNGYALTUCAG-HOCLYGCPSA-N 460.585 2.112 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H]1CCCS(=O)(=O)C1 1705598015 YKTCULRWRZEEQA-NQIIRXRSSA-N 454.552 2.078 30 10 JEEE C#CCN(CC)c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1705615927 NEOWVQVLPMDVBY-HKUYNNGSSA-N 462.645 2.298 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(OCC)cc3)n2C[C@@]2(C)CN(C)C2=O)CC1 1705633215 LXGUPVPNOGTUGF-KBMIEXCESA-N 466.586 2.050 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[C@H](C)c2ccc(OC)cc2)CC1 1705648271 VAUUAISNCVWQST-AVRDEDQJSA-N 478.597 2.397 30 10 JEEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1705660488 WPWZVKNQODFUKM-HKUYNNGSSA-N 452.588 2.263 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1705700862 ZJOFWDPJTLAWCT-FHWLQOOXSA-N 495.646 2.219 30 10 JEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](c2ccccc2)N2CCOCC2)CC1 1705763008 NBNRFQZJTTZMAZ-PZJWPPBQSA-N 474.631 2.118 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC[C@H](S(C)(=O)=O)C2)nnc1C1(c2ccccc2)CCC1 1705908937 JLHMQQMOBIMIDS-IBGZPJMESA-N 457.600 2.064 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N(C)CC(=O)Nc1c(C)cccc1C 1705932054 JEPNWSMMTPRZCU-UHFFFAOYSA-N 469.571 2.028 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1705935254 LJNFQEZHEWKAPC-HXUWFJFHSA-N 480.656 2.182 30 10 JEEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1cccnc1-n1cccn1 1706831924 CFGOUWXCBVFKPY-KRWDZBQOSA-N 476.566 2.315 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCCS1(=O)=O 1722293390 ZTLZXYNSTPIQSH-RCCFBDPRSA-N 481.619 2.012 30 10 JEEE C#CCCCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1722320813 LFNIGDQUMOGUJP-HXUWFJFHSA-N 478.597 2.239 30 10 JEEE C#CCCCCn1c(N2CCN3C(=O)NC[C@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1722322343 JUHNNPIHCODCMQ-KSZLIROESA-N 457.579 2.066 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1(COC)CCC1)[C@@H]1CCS(=O)(=O)C1 1722358455 BXAYWJRIHXLLQY-LJQANCHMSA-N 473.555 2.297 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1Cc1cccc(NC(C)=O)c1)[C@@H]1CCS(=O)(=O)C1 1722365760 NVJTYHZUJXAAED-OAQYLSRUSA-N 498.634 2.267 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCn1cc(C)cn1 1722393849 JEKPWQKUMHCJOA-UHFFFAOYSA-N 454.538 2.343 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(Cc2csc(C)n2)n1CCN/C(O)=C1\N=CC=CC1=O 1722474008 GKICVUIIDLQWEL-YVHXKWHWSA-N 451.556 2.152 30 10 JEEE C=CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@H](C(N)=O)C1 1722597738 QKLSRSLBCXGQRH-SFHVURJKSA-N 460.604 2.253 30 10 JEEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCn2c(nnc2-c2ccccc2)C1 1722619785 DMNCQTGUDURJCU-UHFFFAOYSA-N 450.547 2.288 30 10 JEEE C=CCCOCCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@H](S(C)(=O)=O)C1 1722622460 NEGWXWRJXLLQIN-HNNXBMFYSA-N 472.409 2.262 30 10 JEEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2cccc(F)c2[C@H]1C 1722630168 WVGUYGZTPKSWDA-YLJYHZDGSA-N 493.605 2.467 30 10 JEEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1722691720 ZVXCLAYYKCODDG-CVEARBPZSA-N 454.597 2.054 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1722717294 HRHJSCFWPQNGBL-WBVHZDCISA-N 466.995 2.056 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CC(C)(C)OC(C)(C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1722730992 AGDRQRURMSDNPY-JOCHJYFZSA-N 470.636 2.313 30 10 JEEE C=CCS(=O)(=O)CCn1c(CSc2ccc(C)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1722731101 DLIDXSWSUHJSHL-IBGZPJMESA-N 498.696 2.493 30 10 JEEE CC(C)(C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCc1ccc(S(N)(=O)=O)cc1 1722910765 HXXPTHAFJDZTON-UHFFFAOYSA-N 494.625 2.059 30 10 JEEE CCN(C)C(=O)Cn1c(-c2ccccc2C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1728259745 BTAKOLLGGVQJOZ-SFHVURJKSA-N 459.558 2.109 30 10 JEEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1740580502 AEPMEUQMXNACMT-FQEVSTJZSA-N 484.988 2.103 30 10 JEEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1740583348 PHXTWBMSHSEHMK-UHFFFAOYSA-N 490.450 2.450 30 10 JEEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1740591362 ONUWHIRTGCUDID-SFTDATJTSA-N 488.633 2.301 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CC(C)(C)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1740625047 LYWIAQSXFUHGCX-INIZCTEOSA-N 455.506 2.479 30 10 JEEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1C[C@H](c1cccs1)N1CCOCC1 1740642161 RYOSRBBCAPAHDU-OAQYLSRUSA-N 463.611 2.348 30 10 JEEE C#CCN1CCN(c2nnc(-c3nn(C(C)C)c(=O)c4ccccc34)n2C[C@@](C)(O)C(C)C)CC1 1740695448 RKXOAPJWCBDIAW-AREMUKBSSA-N 477.613 2.398 30 10 JEEE C=CC1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCc2n[nH]c(C)n2)CC1 1740834756 BSHGKHPOMZTHSX-UHFFFAOYSA-N 470.603 2.267 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1740964734 HLKHUSWJXPAXHY-HXUWFJFHSA-N 470.643 2.340 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H]1c1ccco1 1740985178 DBIOJIZCRFHNRB-MRXNPFEDSA-N 456.528 2.461 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 1740985826 MOZQZTKFIXVFKL-UHFFFAOYSA-N 451.568 2.477 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 1740992243 CVISHPWWHSRIRL-HXUWFJFHSA-N 487.548 2.394 30 10 JEEE CCOC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)c2ccco2)CC1 1746552958 AMTKLSFZVWNTRG-UHFFFAOYSA-N 463.498 2.118 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(Cn2ccc3ccccc32)n1CCS(=O)(=O)N1CCSCC1 1748680302 PVTYSIGNBLXUPX-GOSISDBHSA-N 472.640 2.118 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@](C)(O)CCC(C)C)[C@@H]1CCS(=O)(=O)C1 1748814222 BEVQBSMGRFKXIJ-XQBPLPMBSA-N 452.621 2.334 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCN(C)CCCC 1748858074 LNVYLHMLRWOJPI-FQEVSTJZSA-N 458.607 2.391 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC2(OCC)CCCC2)CC1 1749020467 ULBKBZSEWYAVFC-SFTDATJTSA-N 473.618 2.317 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(CC)CC)n1CCCN1C(=O)NC2(CCCC2)C1=O 1749051880 PFKQKMHHZKYBKZ-XMMPIXPASA-N 483.617 2.443 30 10 JEEE COC[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)C(C)(C)C)C1 1749532906 DVKQQHJMUNBUNJ-SFHVURJKSA-N 461.588 2.415 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N(C)[C@H]1CCCc2c1cnn2C 1749736484 KCFCAYIJRJXIBS-SFHVURJKSA-N 475.644 2.482 30 10 JEEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC1(O)CC(OCC)C1 1760171148 WVADBVFUPVJBQQ-UHFFFAOYSA-N 450.543 2.235 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CCN1CCN(C)C(C)(C)C1)[C@@H]1CCS(=O)(=O)C1 1760184111 UUNUBDSWUXMTFI-HSZRJFAPSA-N 498.697 2.160 30 10 JEEE C#CCN(c1nnc(-c2ccc(OCCC)c(OC)c2)n1CC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1760184798 MAWPCZHBKIFQNL-GOSISDBHSA-N 476.599 2.140 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CCN1CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1760185926 HAXXVOJSJMXCBO-ROUUACIJSA-N 477.581 2.258 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1nc(C(C)C)cs1)[C@@H]1CCS(=O)(=O)C1 1760191088 AGUNPYXPTRUPIK-GOSISDBHSA-N 487.655 2.395 30 10 JEEE C#CCN(c1nnc(COCC)n1Cc1ccc(Cl)cc1OC)[C@H]1CCS(=O)(=O)C1 1760192783 NQSXEBPAEDCEOP-KRWDZBQOSA-N 452.964 2.152 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2c(CC)nn(C)c2CC)CC1 1760256592 ZNWAHTLTRDRYTK-UHFFFAOYSA-N 495.653 2.010 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@@H]2CCN(CC)C2)CC1 1760258083 GJWQXTJBRYHWFO-HXUWFJFHSA-N 452.603 2.449 30 10 JEEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1760279279 XPPPXXXSJJIJGE-UHFFFAOYSA-N 452.544 2.280 30 10 JEEE C=C(C)COCCn1c(CC(C)C)nnc1N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 1760357532 DDEBIQAPHRIMNM-UHFFFAOYSA-N 471.631 2.461 30 10 JEEE C=CCN(CCOC)c1nnc(-c2ccc(Br)s2)n1C[C@]1(O)CCN(C)C1 1760502131 OVVYPYOXOVKRTO-SFHVURJKSA-N 456.410 2.475 30 10 JEEE CCCOc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)cc1OC 1764610294 FADYMWLVZCVFJT-JTSKRJEESA-N 477.562 2.468 30 10 JEEE CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1764680118 DVLPHEKSADEHJK-UHFFFAOYSA-N 462.558 2.222 30 10 JEEE CCO[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2Cc2cc(OC)c(OC)c(OC)c2)CCOC1 1765878927 BSSUTSFDVXYRCO-DHIUTWEWSA-N 475.521 2.446 30 10 JEEE CN(CCOC(C)(C)C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1768953325 FIXBHXUCPQWJNW-LJQANCHMSA-N 490.630 2.262 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)[C@H](C)Oc3cccnc3NC(=O)CCC(=O)O)cc21 1858752067 QEGGWOWTXWUKKX-AWEZNQCLSA-N 453.451 2.447 30 10 JEEE C=CCN(CC=C)c1nc(NC(=O)CCc2ccccc2OC)n([C@H]2CCS(=O)(=O)C2)n1 1870004762 KJAFAMTWBDDKSG-SFHVURJKSA-N 459.572 2.396 30 10 JEEE CCc1ccc(Cn2nnc(C#N)c2NC(=O)c2ccc(N3C[C@@H](C(=O)O)CC3=O)cc2)cc1 1870109112 JSAMXNIFYFZRKE-SFHVURJKSA-N 458.478 2.450 30 10 JEEE C#CCOc1cn(CCN2C(=O)CSC2=O)c(CNc2cc(OC)cc(OC)c2)cc1=O 1871009140 GHUFLQYOMQFCIH-UHFFFAOYSA-N 457.508 2.185 30 10 JEEE COc1ccc(/C=N/n2c(COc3ccccc3OC)nnc2SCC(N)=O)c(OC)c1 1874289401 CESREJCRBMBUMZ-FOKLQQMPSA-N 457.512 2.343 30 10 JEEE COC(=O)Nc1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)NCC#CCN2CCCCCC2)cc1 1891584885 FYRVSRWGKHLPLV-JOCHJYFZSA-N 490.626 2.404 30 10 JEEE C[C@H](C(=O)NC1CC(B2OC(C)(C)C(C)(C)O2)C1)N1CCN(C(=O)OC(C)(C)C)CC1=O 2124543382 QRRRUMBOFJJWLV-QQFBHYJXSA-N 451.373 2.195 30 10 JEEE CN(C1CN(C(=O)OC(C)(C)C)C1)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2247901783 PKCBBBLOCMYCNG-UHFFFAOYSA-N 458.411 2.287 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1C(=O)NCc1sccc1B1OC(C)(C)C(C)(C)O1 2256659963 AIUCDQSGBMDAPL-DZGCQCFKSA-N 452.382 2.203 30 10 JEEE CC(C)(C)OC(=O)N1CC(C[S@](C)(=O)=NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2267286958 SGAPVPYATPABLL-YTTGMZPUSA-N 467.397 2.419 30 10 JEEE CC(C)(C)OC(=O)N1CCOCCN1S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2267469298 SSWRDGDDSBQQML-UHFFFAOYSA-N 488.437 2.361 30 10 JEEE CCc1nn(C)c(C(=O)N[C@H]2C[C@@H](NC(=O)OCc3ccccc3)C2)c1B1OC(C)(C)C(C)(C)O1 2267509264 RYHMVNGVBNLOBI-HDICACEKSA-N 482.390 2.469 30 10 JEEE C[C@@H](CCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(O)cc1O)NC(=O)OC(C)(C)C 2267806228 UQYOFXBCFWXSFW-ZDUSSCGKSA-N 450.341 2.430 30 10 JEEE Cc1csc(CNC(=O)[C@@H]2C[C@H](O)CN2C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2268643868 MEEMMTONGYTUKZ-GJZGRUSLSA-N 466.409 2.342 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](O)CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)c(F)c2)C1 2281785186 JNHVBGHUKHEOJF-HZPDHXFCSA-N 464.343 2.225 30 10 JEEE Cc1nn(C)c(C(=O)N2CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2281981878 JRKPLWINBJIFLG-HOCLYGCPSA-N 462.400 2.403 30 10 JEEE Cc1c(C(=O)N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281989710 CWYPVGWEUKRZDN-INIZCTEOSA-N 462.400 2.405 30 10 JEEE CCc1nc(C(=O)N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2282013143 FKKZPVIVYAUAOG-AWEZNQCLSA-N 481.424 2.370 30 10 JEEE CCc1nc(C(=O)N[C@]2(CO)CCN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2282017430 KKIHLPRCRWADKP-JOCHJYFZSA-N 481.424 2.106 30 10 JEEE Cn1nc(C(=O)N2C[C@H](F)C[C@@H]2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2282047435 YIFLQIPXCQBUTP-CHWSQXEVSA-N 486.781 2.450 30 10 JEEE CN1CCN(Cc2ccccc2)[C@H](CNS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2282424717 GFXNHUHZPRKTJG-LJQANCHMSA-N 491.488 2.142 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCCCC23CN(C(=O)OC(C)(C)C)C3)n1 2282538848 LOKAAPMISKYSQU-UHFFFAOYSA-N 460.384 2.335 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(C(=O)OC(C)(C)C)[C@H]2COC[C@@H]21 2282597570 HXLHFAJVGUNAAY-GJZGRUSLSA-N 479.408 2.211 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@]2(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)C1 2282608129 QLCPJKBDDDNDBM-RCDICMHDSA-N 479.408 2.198 30 10 JEEE CC(C)(C)OC(=O)N1[C@H](CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)C[C@@H]2OCC[C@H]21 2282626827 JIIMBBKAQFADMT-UXLLHSPISA-N 462.352 2.476 30 10 JEEE CC(C)C[C@](C)(CNC(=O)OC(C)(C)C)NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282700166 ODJSTLGTLMZMJM-JOCHJYFZSA-N 465.404 2.174 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC/C=C\CNC(=O)OC(C)(C)C 2283728474 XMIJFXUVEURJCW-KTKRTIGZSA-N 482.408 2.354 30 10 JEEE C[C@H](NC(=O)[C@H](C)N1CC(NC(=O)OC(C)(C)C)C1)c1nscc1B1OC(C)(C)C(C)(C)O1 2284061736 YZCAWUNLAHIMKU-KBPBESRZSA-N 480.440 2.217 30 10 JEEE COC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1N=Cc1cc(OC)c(OC)c(OC)c1 2329035151 NHMWNFBJFXMUIG-OAHLLOKOSA-N 491.570 2.176 30 10 JEEE CC(=O)NCc1nnc(SCC(=O)Nc2ccc(F)cc2)n1N=Cc1ccc(O)c(O)c1 2330733726 CKANTCCOBSAJFQ-UHFFFAOYSA-N 458.475 2.078 30 10 JEEE CC[C@H](CN(C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nc(C)n1C)NC(=O)OC(C)(C)C 2337183630 CBGBYSLTEKBZFC-OAHLLOKOSA-N 450.389 2.403 30 10 JEEE C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(F)c(F)cc1B1OC(C)(C)C(C)(C)O1 2351768689 ASXDUANAIXJIAD-BZNIZROVSA-N 456.295 2.477 30 10 JEEE CC[C@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)CC[C@H]1NC(=O)OC(C)(C)C 2362352238 BYDBNQMGAHCQQY-JKSUJKDBSA-N 462.400 2.485 30 10 JEEE BrC(/C=C\c1ccccc1)=NNc1nc(N2CCOCC2)nc(N2CCOCC2)n1 252625152 QEJRAQJWLWLEOF-QDOBKFCTSA-N 474.363 2.379 30 10 JEEE CC(=O)Nc1cccc(NC(=O)CCSc2nnc(NN=Cc3cnn(C(C)C)c3)n2N)c1 1084262678 SJMMEADLFHSCFZ-UHFFFAOYSA-N 470.563 2.295 30 10 JEEE N#Cc1ccc(N2CCC[C@H](NC(=O)CC3(CC(=O)N4CCOCC4)CCCC3)C2=O)cc1 1128015171 CJPKCGKBPIHIKP-NRFANRHFSA-N 452.555 2.369 30 10 JEEE C=CCCC[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1)C(=O)OC 1155474601 HEZKPIKGCKYUQV-QAPCUYQASA-N 453.517 2.010 30 10 JEEE C=CC[C@H](NS(=O)(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1)c1ccncc1 1209813409 ORJAMHBUXOVACV-IBGZPJMESA-N 451.570 2.007 30 10 JEEE C#CCOc1ccccc1CNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 1265224187 VMJCTWLICNAWQF-FQEVSTJZSA-N 457.508 2.466 30 10 JEEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](C)N1CCN(c2ccccc2)CC1 1286359373 UTNXDXDGBQXZMO-HXUWFJFHSA-N 458.570 2.206 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCCCN1CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1286390267 ZNGCASWCXDVNBA-WOJBJXKFSA-N 458.632 2.412 30 10 JEEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCNC(=O)Cc1cccc(F)c1 1286442755 LLQWBYMBVULNBX-UHFFFAOYSA-N 497.600 2.196 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2CC2CCN(CC(F)(F)F)CC2)n1 1286470032 OYRVIPRDDVFQBX-UHFFFAOYSA-N 453.513 2.344 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1Cc1cccs1 1286592475 HBPJVVIWSHIPBB-AEFFLSMTSA-N 451.618 2.460 30 10 JEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1286611994 ULWMWXFLRAIUAY-SBUREZEXSA-N 460.579 2.097 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CCN(C(C)=O)CC1 1286782104 KHHRKMWRDRNBAG-UHFFFAOYSA-N 481.782 2.332 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCN([C@@H](C)c2ccc(F)cc2F)CC1 1286786618 HVEUOHGOCHMZEY-INIZCTEOSA-N 468.512 2.199 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@@H](Cn2c(CN3CCCC3=O)nnc2N2CC[C@@](F)(C#N)C2)C1 1287051523 CYLLHHZPLYCNHY-UZUQRXQVSA-N 475.569 2.490 30 10 JEEE C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1)N1CCOCC1 1288606539 FTFYCTWJIRDHSA-VQIMIIECSA-N 491.518 2.042 30 10 JEEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)CNS(=O)(=O)c2c[nH]c3ncccc23)cc1 1292108923 SFPUSOJBGCHONR-UHFFFAOYSA-N 453.524 2.294 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCS(=O)(=O)CC 1300303161 ITKIPLJITNALJX-IAGOWNOFSA-N 453.609 2.285 30 10 JEEE C#CCCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC(C(=O)NC)CC1 1300341252 DZBAAXXJRGTWOX-UHFFFAOYSA-N 471.631 2.313 30 10 JEEE C#CCCCCn1c(N2CC[C@@]3(CCS(=O)(=O)C3)C2)nnc1[C@]1(OC(C)C)CCOC1 1300377597 WPERUPCRRYNOFP-YADHBBJMSA-N 450.605 2.137 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1CC1CN(C(=O)OC(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1 1300483991 NOHWIRHIIRQJHQ-AEFFLSMTSA-N 465.620 2.285 30 10 JEEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(F)cc1C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1300491967 KJXUAUJXCZADSB-NVXWUHKLSA-N 499.490 2.062 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2COc3ccccc3O2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1300578319 KUHIMOTXPUIJOQ-XUZZJYLKSA-N 490.608 2.196 30 10 JEEE C=CCN(CCc1ccco1)c1nnc(Cc2ccc(F)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1301412526 CTIABKIGBLDIBO-QHCPKHFHSA-N 474.558 2.386 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CCCNC(=O)c2cccc(O)c2)C1 1301556887 KDOSFGUDLYOBPD-CTNGQTDRSA-N 455.559 2.479 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N(C)CC(=O)Nc1c(C)cccc1C 1301588062 CAJZVYZHNQBXNO-IBGZPJMESA-N 475.615 2.465 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(Cc2ccccc2C)CC1 1301588877 KYAAUHYJSNXMGW-QFIPXVFZSA-N 473.643 2.404 30 10 JEEE C=CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC(=O)N(C)[C@H](C)C1 1301611124 GQDHNKVTQRGXRS-IAGOWNOFSA-N 480.635 2.173 30 10 JEEE CC(C)NC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1303446438 HVUHQQYHOOHGPU-IBGZPJMESA-N 483.573 2.071 30 10 JEEE COc1ccc(C[C@H](C)Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@@H](C)C#N)cc1 1315440083 GPVUSOYLNRQHTG-BBTUJRGHSA-N 490.630 2.094 30 10 JEEE C#CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN2CCOC[C@@H]2C1 1358928786 KSVOHWSLVKXDHA-PMACEKPBSA-N 458.607 2.327 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2cccc(Cl)c2)C1 1358930609 YTUIDOYAEPWTBG-WOJBJXKFSA-N 494.017 2.256 30 10 JEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 1358930650 ZOSNZZCUNIZYCM-IRXDYDNUSA-N 451.593 2.039 30 10 JEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCN1CCC(C)CC1 1358941226 BREBTUMNFGAGMW-UHFFFAOYSA-N 458.632 2.387 30 10 JEEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1CN(C(=O)OC(C)(C)C)C1 1358946429 VCEUFQZOJRCVMG-UHFFFAOYSA-N 463.542 2.128 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2nc(C)c(C)s2)CC1 1359041986 NWEUTUIVNBRXHR-QHCPKHFHSA-N 472.615 2.018 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CC[C@H]2COCCO2)CC1 1359042692 QDVVBAZLQSBXTG-NRFANRHFSA-N 497.596 2.124 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccc(C)cc1)N(C)C 1359064344 QNIPGBNANSNNBB-QMHWCDLVSA-N 458.632 2.492 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(C)C)C(=O)C1 1359103110 KBNVBHJANPGKRV-REWPJTCUSA-N 455.607 2.426 30 10 JEEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1359202936 FLHJKFKFZYQDKU-RBUKOAKNSA-N 459.620 2.432 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2Cc2cnnn2C)C1 1359319575 BMKFQLHIPTUFIL-IEBWSBKVSA-N 472.594 2.351 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)c2ccc(F)cc2)C1 1359321475 GUZRJLROWVXGJW-WMQCIHAUSA-N 493.605 2.335 30 10 JEEE C=CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C2CCOCC2)CC1 1359345586 KLZHBBKXJBJNHN-UHFFFAOYSA-N 476.672 2.490 30 10 JEEE Cc1c(NC(=O)CSCC(=O)N(C)c2ccc(C#N)nc2)c(=O)n(-c2ccccc2)n1C 1461302792 GREOYJGCUZGDAG-UHFFFAOYSA-N 450.524 2.086 30 10 JEEE C=C[C@@](C)(O)CC(=O)NCCN1C(=O)S/C(=C\c2cc(OC)c(OC)c(OC)c2)C1=O 1463948836 XCWGBPDVACIWOX-NRFGWYQLSA-N 450.513 2.192 30 10 JEEE C=CCCn1cc(CNS(=O)(=O)c2cc3c(cc2Br)CCCC(=O)N3)nn1 1464228125 KCIYWOJKIWQSNB-UHFFFAOYSA-N 454.350 2.370 30 10 JEEE COc1cc(OC)cc(N2CC[C@@H](NC(=O)N3CCO[C@H](c4cccc(C#N)c4)C3)C2=O)c1 1469235391 FLHYNAJMRNTAKD-YADHBBJMSA-N 450.495 2.464 30 10 JEEE CCNC(=O)c1cccc(Cn2c(N3CC[C@](F)(C#N)C3)nnc2[C@@]2(OCC)CCOC2)c1 1502420698 AACBRJPZJYQFFD-XZOQPEGZSA-N 456.522 2.170 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2Cc2oc(CC)nc2C)c1 1507548936 WTNWWXYXKSYFGQ-UHFFFAOYSA-N 463.542 2.380 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1507648366 ZLCZGMQPYBECLW-VXKWHMMOSA-N 456.529 2.236 30 10 JEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 1507741291 PAQRRIZZAZQZPW-INIZCTEOSA-N 463.629 2.384 30 10 JEEE C#CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@H](C(N)=O)C1 1507745079 SPLGZTDIICTKNS-ZDUSSCGKSA-N 451.394 2.114 30 10 JEEE C=C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H](N2CCOCC2)C(F)(F)F)CC1 1507881613 SKNUNTLNEKJBHP-FXAWDEMLSA-N 459.513 2.350 30 10 JEEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](c2cccc(F)c2)C1 1507964833 MAMNSOWWOYQYPD-TZIWHRDSSA-N 493.605 2.337 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCCC1(F)F 1508040550 ZFJTVTHBJSQCJO-DLBZAZTESA-N 477.578 2.075 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1508093346 USUAEBAWOIKECG-VWLOTQADSA-N 466.586 2.316 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1508136010 QPVKYTQUFFXOCZ-OPAMFIHVSA-N 493.561 2.189 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 1508136816 HVRXJWYCBSYCFT-UHFFFAOYSA-N 474.631 2.256 30 10 JEEE CC[C@]1(C)CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CCO1 1513576533 HRENKWQTUYPANQ-PGRDOPGGSA-N 458.588 2.104 30 10 JEEE COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCn2cc(Br)cn2)cc1 1518164368 GYCDIDDOAKHUTJ-KRWDZBQOSA-N 458.320 2.342 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1C[C@@]1(OC)CCOC1)[C@@H]1CCS(=O)(=O)C1 1539210777 DNZHJVCHLVTBKU-NQIIRXRSSA-N 464.975 2.031 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1CC(C)(C)CCOC)[C@H]1CCS(=O)(=O)C1 1539210946 IIMHPRGNFSCRJH-IBGZPJMESA-N 488.610 2.406 30 10 JEEE C#CCN(c1nnc(CC2CCCC2)n1Cc1ccc(OC)nc1OC)[C@H]1CCS(=O)(=O)C1 1539224349 FUKMHJSDXCDUAK-IBGZPJMESA-N 473.599 2.098 30 10 JEEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(CN2CCCC2=O)cc1 1539237716 JCDUYALLHDNOFM-SANMLTNESA-N 461.566 2.174 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1CC1(OCCOC)CCOCC1 1539371571 WIKFHPSMCSTCRY-NRFANRHFSA-N 456.543 2.462 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC2CCOCC2)CC1 1539474119 KCDQXVPIWRGWJG-UHFFFAOYSA-N 467.570 2.355 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1539620077 JAFNNGZSDGUTSG-HJNYFJLDSA-N 455.559 2.276 30 10 JEEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)CC1CN(C(=O)OCc2ccccc2)C1 1539683287 MCWXVGJEDZGQBV-KRWDZBQOSA-N 476.603 2.169 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 1539751594 PXUKMBINKZJRNQ-MJGOQNOKSA-N 496.655 2.374 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCn2cncn2)CC1 1539890251 LCJJCRNOZWKBBE-SFHVURJKSA-N 458.567 2.281 30 10 JEEE C=CCC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1539926700 RRXJOUGHGLRAOI-UHFFFAOYSA-N 482.633 2.013 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1540875000 YNKSRYHWTDQENN-VWLOTQADSA-N 468.602 2.077 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCSC2(CCCCC2)C1 1540902367 HUJZVVUDUOELQS-INIZCTEOSA-N 453.634 2.086 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(Cc2cc(C)on2)CC1 1540904145 KUGDTXBGZALFSI-UHFFFAOYSA-N 450.609 2.086 30 10 JEEE CC(C)[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](CC(N)=O)C1)N1CCOCC1 1541310336 FBYDNILNCZQDFT-FYYLOGMGSA-N 495.628 2.177 30 10 JEEE COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2cnn(C)c2)cc1 1545025356 APCLYNFFUNHPSN-AWEZNQCLSA-N 455.496 2.398 30 10 JEEE CC[C@@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCC1(O)CCOCC1 1545545608 AKYASULBJGLSBV-MSOLQXFVSA-N 454.579 2.100 30 10 JEEE CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1547320376 IFEPYIZPUJLEPU-UHFFFAOYSA-N 493.612 2.436 30 10 JEEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCC(CC#N)CC3)n2CCc2cc(F)cc(F)c2)C1 1555812323 DAJSXPUMPAMWDD-FQEVSTJZSA-N 494.568 2.262 30 10 JEEE C=CCN(C)C(=O)NCCNS(=O)(=O)c1cc(Br)ccc1Br 1563939847 ZAHQCZKYFRZGSA-UHFFFAOYSA-N 455.172 2.317 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1(N(C)C)CCOCC1 1587621466 UYHIKRSVPYRRGK-SFHVURJKSA-N 463.586 2.244 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCN1CCCO[C@@H](C)C1 1588128153 DZMDZIUQNSUOGN-IBGZPJMESA-N 459.554 2.168 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCC(=O)NC(C)(C)C 1588128156 FFDKMODLFQWOLS-UHFFFAOYSA-N 473.581 2.443 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCNc1ncc(Cl)cc1Cl 1588181125 PGAOTHXAJISUBS-AWEZNQCLSA-N 484.413 2.165 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(CC)cc2)n1CCS(=O)(=O)N1CCSCC1 1588198350 PTYBSDRHFNRJRD-UHFFFAOYSA-N 471.652 2.349 30 10 JEEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1CCNc1nccc(C(F)(F)F)n1 1588263132 QEEATVMAYRICPU-UHFFFAOYSA-N 459.436 2.306 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Br)c3)n2CCOCCOC)CC1 1588890854 GQPGYRKAAAXYTR-UHFFFAOYSA-N 490.402 2.336 30 10 JEEE C#CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(C(C)=O)C[C@H]1C 1589053153 IQBTUAZDVWAGCF-OAHLLOKOSA-N 451.556 2.017 30 10 JEEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1589460439 PCSLPOFFVJJWNC-ZYSHUDEJSA-N 481.439 2.417 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(N(CC)CC)CC1 1589493113 FZCQJPAGIBUNRY-BJLQDIEVSA-N 468.668 2.180 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(NS(=O)(=O)CC)CC1 1589570430 VEJORIVUQGRWAZ-DENIHFKCSA-N 491.662 2.029 30 10 JEEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 1593637129 XOMBJBZBKNMLGO-IRXDYDNUSA-N 471.624 2.422 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H](c2ccnn2C)C1 1595490433 RKIHWODGZPMYFC-AWEZNQCLSA-N 473.379 2.455 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 1595529876 KQFMPJAFIVBSQL-AWEZNQCLSA-N 461.452 2.094 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(Cc2ccccc2OC)CC1 1595545459 XKGONOHMVSGGQV-OAQYLSRUSA-N 454.575 2.153 30 10 JEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1595884674 PZVFUXYYISCKSD-SJORKVTESA-N 469.677 2.231 30 10 JEEE C=CCn1c(COc2ccccc2)nnc1SCC(=O)N(CC)[C@H]1CCS(=O)(=O)C1 1613589728 FLFJCTIWQCAIMQ-INIZCTEOSA-N 450.586 2.171 30 10 JEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1ccc(S(=O)(=O)N(C)C)c(Br)c1 1616735352 VWZMMMGGYBGHTP-UHFFFAOYSA-N 459.362 2.117 30 10 JEEE CCS(=O)(=O)N(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 1617345723 BIRAXCDYJILBNQ-UTKZUKDTSA-N 472.615 2.492 30 10 JEEE C#CCN(CC(=O)NCc1ccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)cc1)C(=O)OC(C)(C)C 1635309871 WASLOQKBZVAQNR-DEOSSOPVSA-N 454.527 2.398 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCN1CCN(CC)CC1 1689830871 DBBTVWZRFYUFDD-IBGZPJMESA-N 486.690 2.032 30 10 JEEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1689916545 MSDGKDFBCXFYQY-KRWDZBQOSA-N 462.572 2.398 30 10 JEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCCN(C(=O)C(C)C)CC1 1689916664 QXFYCTYWIJNSBC-UHFFFAOYSA-N 457.600 2.457 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@@]1(C)CCCO1)[C@H]1CCS(=O)(=O)C1 1689996246 FVSDNPARIIIITA-PGRDOPGGSA-N 462.547 2.192 30 10 JEEE C#CCN(c1nnc(COCC)n1CCCn1ccc2ccccc21)[C@H]1CCS(=O)(=O)C1 1689996282 GQFSNRLXBAVYKA-FQEVSTJZSA-N 455.584 2.486 30 10 JEEE C=C(Cl)Cn1c(-c2cccnc2)nnc1N1C[C@@H]2[C@@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1690340118 FWVFIOZNEFDTOJ-IKGGRYGDSA-N 495.005 2.219 30 10 JEEE C=CCCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1690488141 LVRRBYOWNIZNBE-SFHVURJKSA-N 457.604 2.248 30 10 JEEE C=CCN(C)c1nnc(-c2cc(Br)cn2C)n1CCN/C(O)=C1\N=CC=CC1=O 1690517821 QMAQOFYLLNBGBT-FBMGVBCBSA-N 460.336 2.195 30 10 JEEE C=CCN(C)c1nnc(COc2ccc(Br)cc2)n1Cc1cn(C2COC2)nn1 1690533815 WXYODWBTYUGTQZ-UHFFFAOYSA-N 460.336 2.453 30 10 JEEE C=CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1C[C@@]1(O)CCO[C@@H]1C 1690611090 ADVNKCZPSOIOTN-KUHUBIRLSA-N 454.369 2.225 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(C)COC1 1690621888 CFUVIFMSUYTUQN-KRWDZBQOSA-N 451.568 2.262 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1690661662 CQKKRTBDMJVHSJ-UONOGXRCSA-N 484.420 2.268 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCCN(c2nc(CC)ns2)CC1 1690663371 UVPCSYSSEJFJAP-UHFFFAOYSA-N 482.614 2.387 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ccc(Cl)cc2)C1 1690699982 MDCGOTQKHHXXIL-VQTJNVASSA-N 496.033 2.288 30 10 JEEE CCN(C)C(=O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(CCC#N)CCOC 1695502888 AKYWUCARUOIEIJ-SFHVURJKSA-N 477.610 2.237 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1CCc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1705564396 NOJQTKVFCMTHJU-LJQANCHMSA-N 451.552 2.218 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@H]1CCCN(CC(C)C)C1)[C@H]1CCS(=O)(=O)C1 1705569937 LLCAYOYDIVKEIP-GOTSBHOMSA-N 484.670 2.259 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1CC[S@](=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1705571227 WZCDEXQSONUHCP-GEFUHLBYSA-N 476.668 2.351 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCO[C@H](C)C1 1705591039 DHBPOODKFLRTJN-WOJBJXKFSA-N 469.611 2.473 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2C[C@H]2CCOC[C@H]2OC)CC1 1705651058 IGJBATJRQDKQQU-DENIHFKCSA-N 485.560 2.014 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@H]2CCN(CC)C2)CC1 1705651507 ZCHRKRHMMPCTLV-OAQYLSRUSA-N 464.614 2.473 30 10 JEEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1705679148 CLZZDDBMTHBTRJ-UHFFFAOYSA-N 480.367 2.020 30 10 JEEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(=O)c2cccc(Cl)c2)CC1 1705887069 LJWATGNOWXTDJE-HNNXBMFYSA-N 466.995 2.080 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCNC(=O)OC(C)(C)C)C1 1705914813 QMCAJZRVIHSZQK-INIZCTEOSA-N 457.535 2.231 30 10 JEEE CC(C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCNC(=O)Cc1cccc(F)c1 1706314561 BXUVNKIBMAAIDK-UHFFFAOYSA-N 476.560 2.493 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1c(C)nn(C)c1C 1722384760 SQRMHXIYPZKDBX-FQEVSTJZSA-N 467.574 2.058 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCC[C@H](O)C1 1722426344 HCNLYNMGJKKEAF-UFYCRDLUSA-N 477.606 2.224 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CC(=C)Cl)CC1 1722446859 AJUAQAGRIMJNDJ-UHFFFAOYSA-N 468.993 2.170 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@H]1CCS(=O)(=O)C1 1722468241 LURIVROLLKOOBU-WAIKUNEKSA-N 474.583 2.398 30 10 JEEE C=C(C)Cn1c([C@H](C)OCCOC)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 1722519613 FWMHUJDFXQEWPJ-IBGZPJMESA-N 463.604 2.479 30 10 JEEE C=CCOc1ccccc1Cn1c(-c2cnccn2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1722707549 RYTUALVAUCAVQB-UHFFFAOYSA-N 483.598 2.256 30 10 JEEE CNC(=O)CCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCCN1C1CC1 1729712498 CRXBAENMGBEPQG-FQEVSTJZSA-N 451.575 2.318 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@H]1CCCN1CC)[C@H]1CCS(=O)(=O)C1 1740619864 LXOAFJZYUJLVTI-UXHICEINSA-N 457.600 2.065 30 10 JEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@](C)(O)[C@H](C)CC 1740631566 CEVCYBMZBYMZBF-HXOBKFHXSA-N 456.616 2.417 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3)n2CCc2ccn(C)n2)CC1 1740698144 TXYJPRCDAMIXPI-UHFFFAOYSA-N 454.376 2.439 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCOc2cccc(C(F)(F)F)n2)CC1 1740705769 MDGKGBRDTRXCKH-KRWDZBQOSA-N 492.502 2.241 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2C[C@@H](C(C)C)N2CCOCC2)CC1 1740706764 BQZKIJMPEVOOAI-VWLOTQADSA-N 492.668 2.500 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccc(OC)cc3)n2Cc2snnc2C)CC1 1740708681 YVDUDEIBFMXLLQ-UHFFFAOYSA-N 479.610 2.246 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](OCC(C)C)C1 1740752014 RFZCSCBFGJNSTG-MANSERQUSA-N 455.625 2.121 30 10 JEEE C=C(C)COCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCN(C(C)=O)CC1 1740793775 WYJTWCPMIFZKGY-UHFFFAOYSA-N 479.585 2.497 30 10 JEEE C=C1CCN(c2nnc(-c3cc(Br)cn3C)n2CCNS(=O)(=O)CC)CC1 1740819485 RUIKYDGZJGPJHI-UHFFFAOYSA-N 457.398 2.142 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc(-c2cccn2C)n1C[C@]1(O)CCS(=O)(=O)C1 1740935332 JMUQLUJZBKUHLY-HSZRJFAPSA-N 455.584 2.068 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC(CCN(C)C(=O)OC(C)(C)C)CC1 1740957137 CDKXGEHMZVGLIZ-UHFFFAOYSA-N 486.621 2.454 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H](C)N2CCOCC2)C1 1740974172 JNSFZEJMJNJJNB-UYAOXDASSA-N 457.575 2.464 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(C(=O)NCC(N)=O)cc2)C1 1740974815 ITUIEEUMPQBDSM-LJQANCHMSA-N 495.971 2.038 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC(CC(F)(F)F)CC1 1740985491 IDVWFSOYLCYFNH-UHFFFAOYSA-N 451.515 2.186 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCc1scnc1C)[C@@H]1CCS(=O)(=O)C1 1748808267 JDQANVKOQBDHQI-GOSISDBHSA-N 486.579 2.488 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCCOCC1CC1)[C@@H]1CCS(=O)(=O)C1 1748808516 DUZMXBHRKAJNPP-OAQYLSRUSA-N 453.568 2.260 30 10 JEEE C#CCN(c1nnc(CCOc2ccccc2)n1C[C@]1(C)CCCO1)[C@H]1CCS(=O)(=O)C1 1748820497 CRGNEBVFGNRZAC-CVDCTZTESA-N 458.584 2.095 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCCOC)[C@@H]1CCS(=O)(=O)C1 1748825456 ZIKYPRAGERBZKP-MOPGFXCFSA-N 495.646 2.403 30 10 JEEE COc1cccc([C@H](Cn2c(Cn3nc(C)cc3C)nnc2N2CCO[C@@H](C#N)C2)N(C)C)c1 1748898048 DWDVWFWOEOWTCZ-VXKWHMMOSA-N 464.574 2.180 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCCOCCOC)CC1 1748990825 LWUIHICUMLFKHQ-OAQYLSRUSA-N 490.649 2.201 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2CC2CCN(C(=O)OC)CC2)CC1 1749009627 DEKJIFSUMHKMOK-UHFFFAOYSA-N 494.596 2.398 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(OCC)cc2)CC1 1749020459 TYFQPBBTBJLAQW-GMAHTHKFSA-N 481.597 2.415 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1749156350 WNHMUGGKXNHRGW-HXUWFJFHSA-N 452.607 2.217 30 10 JEEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@]2(CN(Cc3ccccc3)CCO2)C1 1749170284 JGXKKRGMXYXHLH-YKSBVNFPSA-N 488.658 2.336 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2ccc(F)c(F)c2)C1 1749712687 KVQBPTHXNVPSAQ-IAGOWNOFSA-N 452.527 2.482 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@H]1COc2ccccc2O1)[C@H]1CCS(=O)(=O)C1 1760187472 WDRGNSXRQLXJRH-ROUUACIJSA-N 458.584 2.333 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@](C)(O)[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1760192218 SCDLMTWYHUTYDM-BOCKYXSRSA-N 478.590 2.420 30 10 JEEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1760285905 URWMAXWFRXTGBJ-FQEVSTJZSA-N 452.584 2.400 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N(C)CC(=O)N1CCOCC1 1760325125 OEVOHZRWHRJRKW-PXDATVDWSA-N 483.613 2.348 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(S(=O)(=O)CC)CC1 1760327146 CKZJLZILZCYWNE-ZFMNYDKASA-N 482.647 2.387 30 10 JEEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1760421634 WALLWTYOIRABCS-FGZHOGPDSA-N 485.677 2.497 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CN2CCCC2=O)n1C[C@@]1(C)COCCO1 1760479041 ZMHWJKDXMWMDME-DEOSSOPVSA-N 455.559 2.407 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1760516127 KAWXYLYICQQJGJ-ROUUACIJSA-N 486.573 2.396 30 10 JEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCN([C@H](C)c2nccs2)CC1 1760525993 ZRZVZKJOYNGMBW-OAHLLOKOSA-N 472.644 2.276 30 10 JEEE CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1764580516 CSYBMLRMZXUWSE-KOSHJBKYSA-N 468.558 2.029 30 10 JEEE CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H](c1ccco1)N(C)C 1765012736 GFXWUVSSTXJCQA-PMACEKPBSA-N 463.542 2.339 30 10 JEEE N#Cc1ccc(OCc2nnc(N3CCC(CCC(N)=O)CC3)n2C[C@]2(O)CCSC2)cc1 1771534598 HZNFQSMQWVDKLX-HSZRJFAPSA-N 470.599 2.079 30 10 JEEE COc1ccc2nc(N3CCN(C(=O)[C@@H]4CCCN4C(=O)C(F)(F)F)CC3)c(C#N)cc2c1 1857959693 NQHFRKNUJMTZCB-SFHVURJKSA-N 461.444 2.317 30 10 JEEE COc1ccc(NC(=O)[C@H](CO)NC(=O)C2CCN([C@H](C#N)c3cccs3)CC2)cc1OC 1866867312 OCJDAURWCMEDSJ-ZWKOTPCHSA-N 472.567 2.158 30 10 JEEE Cc1ccccc1Cn1nnc(C#N)c1NC(=O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1870111792 CTUBRSSJOGGRLJ-UHFFFAOYSA-N 459.422 2.040 30 10 JEEE Cc1ccc(-n2nnc(C#N)c2NC(=O)CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c(C)c1 1870155686 ZTGKTRJFMOYYMX-UHFFFAOYSA-N 459.422 2.289 30 10 JEEE C=CCn1c(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)cc2c(N3CCOCC3)ncnc21 1873645290 OHJYROSXGSVBDP-UHFFFAOYSA-N 461.570 2.458 30 10 JEEE CN1CCN(CC#CCOC2CCN(C(=O)c3ccc(F)cc3Br)CC2)CC1 1889363586 RRLCYHHRTLXOMO-UHFFFAOYSA-N 452.368 2.460 30 10 JEEE Cc1ccc(N2C[C@H](C(=O)N3CCC(OCC#CCN4CCN(C(C)C)CC4)CC3)CC2=O)cc1 1889545128 WBHMQXGNMZPLCZ-XMMPIXPASA-N 480.653 2.385 30 10 JEEE CCN1CCN(CC#CCOC2CCN(S(=O)(=O)c3ccc(F)cc3Cl)CC2)CC1 1890463473 CMCKBNAIJVKQSY-UHFFFAOYSA-N 457.999 2.290 30 10 JEEE CCN1CCN(CC#CCOC2CCN(C(=O)CCc3c(OC)cc(OC)cc3OC)CC2)CC1 1890512070 TVRWWLYQJRDDFL-UHFFFAOYSA-N 487.641 2.294 30 10 JEEE COc1cc2nc(N(C)CC(=O)N3CCN(c4ncccc4C#N)CC3)sc2cc1OC 1892329077 BHIOIPQHWNVHHL-UHFFFAOYSA-N 452.540 2.365 30 10 JEEE C#CCOCCOCCn1c(C)nc(I)c1I 2015776837 PNAHFJJKDDZXIX-UHFFFAOYSA-N 460.053 2.067 30 10 JEEE Cn1c(=O)c2c(nc(NN=C(C(=O)O)c3ccccc3)n2CC=Cc2ccccc2)n(C)c1=O 2040728478 MDOVKAOSVUNNHC-UHFFFAOYSA-N 458.478 2.048 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@](CO)(C(=O)NCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2185172057 KDYLNOAWPRYFQR-DEOSSOPVSA-N 460.380 2.222 30 10 JEEE CC1(C)OB(c2ccc(S(=O)(=O)NC3CN(C(=O)OCc4ccccc4)C3)c(F)c2)OC1(C)C 2255931660 OIZFKOSXEYUUOM-UHFFFAOYSA-N 490.362 2.424 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)Nc1nc(B2OC(C)(C)C(C)(C)O2)ccc1Cl 2256626916 PKXDVPIFLXNNFG-FZMZJTMJSA-N 455.748 2.247 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]1NS(=O)(=O)Cc1ccccc1B1OC(C)(C)C(C)(C)O1 2267473205 BGFUBQQUCKXGCL-WMZOPIPTSA-N 466.409 2.318 30 10 JEEE Cc1csc(C(=O)NCC2(CO)CN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267538845 IBPMHCTTYOHOKE-UHFFFAOYSA-N 466.409 2.315 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)CC[C@H]1CO 2267592366 MAGCDQADVAQTHQ-GOEBONIOSA-N 466.409 2.395 30 10 JEEE CON(CCNC(=O)OC(C)(C)C)S(=O)(=O)Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2267710074 NFGDWMRPPRDFPG-UHFFFAOYSA-N 470.397 2.204 30 10 JEEE C[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2267717078 XEZIOSVAOZLQPI-AAEUAGOBSA-N 482.355 2.267 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H]([S@@](C)(=O)=NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2281986222 RAUTVTQFOVNFAQ-JVVFOLMZSA-N 482.412 2.250 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1C[C@H]2CC[C@H]1N(C(=O)OC(C)(C)C)C2 2282043483 NUFFHVDIDUOQIT-HYVNUMGLSA-N 460.384 2.237 30 10 JEEE CC(C)(C)OC(=O)N1CCOCCN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2282317097 MMKFOFUHAHXKJW-UHFFFAOYSA-N 486.371 2.298 30 10 JEEE Cc1c(C(=O)NC2[C@H]3C[C@H]2CN(Cc2ccccc2)C3)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282548585 YKIYWLFYESBCLV-OALUTQOASA-N 450.392 2.278 30 10 JEEE Cc1c(C(=O)N2C[C@@H](F)C[C@@H]2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282593621 SVEZUXHZWZOGTR-LSDHHAIUSA-N 466.363 2.105 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CN(c3ccc(N)c(B4OC(C)(C)C(C)(C)O4)c3)C[C@@H]2[C@@H]1CO 2283032256 RHLBLEVQVJCKGH-KNBMTAEXSA-N 459.396 2.232 30 10 JEEE CC(C)(C)OC(=O)NC[C@]1(C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)CCCOC1 2283976012 XNUARTPQGDOVAU-JOCHJYFZSA-N 481.424 2.380 30 10 JEEE CC1(C)OB(c2c[nH]c(C(=O)NC3(C(=O)O)CCN(Cc4ccccc4)CC3)c2)OC1(C)C 2284486838 WNPDQDFZBLKRNF-UHFFFAOYSA-N 453.348 2.163 30 10 JEEE COC(=O)c1[nH]c(C)c(C(O)=C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(OC)c(OC)c2)c1C 2296091573 UVSFJXXWEWRHOR-NRFANRHFSA-N 485.537 2.419 30 10 JEEE C[C@]12CC[C@H]3[C@H](CC[C@]4(O)C[C@H](O)CC[C@]34C=NCCCO)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1 2297748584 ZPYOXVKJNQBTTC-MRLMBEHTSA-N 461.599 2.153 30 10 JEEE CCOc1cc(C=NNc2cnn([C@@H]3CCS(=O)(=O)C3)c(=O)c2Br)ccc1OC 2322660046 ZIIZBHBGLVEMEU-CYBMUJFWSA-N 485.360 2.219 30 10 JEEE CC(=O)NCc1nnc(SCC(=O)N[C@@H](C)c2ccccc2)n1N=Cc1ccc(O)c([N+](=O)[O-])c1 2330792457 JYUBBBPGYQHWNB-AWEZNQCLSA-N 497.537 2.380 30 10 JEEE Cn1ncc(C(=O)NC[C@H](NC(=O)OC(C)(C)C)C(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2336903787 WYCJKOXCIHWRLL-HNNXBMFYSA-N 450.389 2.389 30 10 JEEE CC(C)(C)OC(=O)N(CCCO)CCC(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2342643740 ASFZNPFSDJNNJC-UHFFFAOYSA-N 469.413 2.068 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2C[C@H](B3OC(C)(C)C(C)(C)O3)C2)[C@@H](CC(N)=O)C1 2343356433 VUOSNAKJFWRHSA-JYJNAYRXSA-N 451.373 2.182 30 10 JEEE Nn1c(N/N=C/c2cccc(Br)c2)nnc1SCC(=O)Nc1nccs1 20292221 MDGYUASNTJWIOW-CNHKJKLMSA-N 453.351 2.388 30 10 JEEE CCOc1ccccc1NC(=O)CSc1nnc(N/N=C/c2ccc(C(=O)OC)cc2)n1N 20806027 BLMYZQJBGNWWOA-FSJBWODESA-N 469.527 2.354 30 10 JEEE C#CCOC[C@@H](O)CN(CCCOC)Cc1c(-c2ccc(F)cc2)noc1N1CCOCC1 36249718 CVBPFQQHKHZMMV-NRFANRHFSA-N 461.534 2.167 30 10 JEEE C/C(=N/OCC(=O)OCC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl)c1ccc2c(c1)OCO2 61967726 IIZMWBIQMZEUEL-FMCGGJTJSA-N 482.898 2.395 30 10 JEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(C)n(-c3ccccc3)c2C)c(=O)n1CCOCC 725764362 QYNNDIBADXTXJP-UHFFFAOYSA-N 476.602 2.159 30 10 JEEE C#CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC[C@](O)(C(=O)O)C1 757344913 FCEIUTBVAYGHRM-ATIYNZHBSA-N 462.502 2.355 30 10 JEEE CC(C)[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc(N2CCN(C)CC2)cc1 761674860 NYATZVBLWNTHSC-NRFANRHFSA-N 455.584 2.140 30 10 JEEE C#CCN(Cc1ccc(F)cc1)S(=O)(=O)c1c(OC)nn2cc(Br)cnc12 1208890406 OYRSSUCWIODDQZ-UHFFFAOYSA-N 453.293 2.464 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1cccc(OC)c1OC)[C@H]1CCS(=O)(=O)C1 1286389648 OBSPZOXKXZYOLL-IBGZPJMESA-N 481.578 2.341 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCC(C)(C)COC)[C@@H]1CCS(=O)(=O)C1 1286391591 FBMLQUZAADZVPF-RTBURBONSA-N 452.621 2.252 30 10 JEEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@@H]2CCOC[C@H]2OC)CC1 1286485103 UWTFUZQTLMIKDJ-JTHBVZDNSA-N 453.587 2.281 30 10 JEEE C=C(Cl)Cn1c(COc2ccccc2OC)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1286636545 XROQVFRQNGOONB-JOCHJYFZSA-N 474.949 2.433 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccnc2OCCOC)CC1 1286662992 DCVGQHQXIVWNHA-IBGZPJMESA-N 461.588 2.051 30 10 JEEE C=CC[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CNS(C)(=O)=O)CC1)c1ccccc1 1286678977 HWTKKWIYKYXSTD-SFTDATJTSA-N 486.642 2.355 30 10 JEEE C=CCCCn1c([C@@H]2CCCCO2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1286699062 NPHHWUZEHCQDCG-SFHVURJKSA-N 450.565 2.126 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1286778423 AJGMCLYSNRXGEZ-UUOWRZLLSA-N 452.559 2.196 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1CCCn1ccnn1 1287050660 FOTYFXNUUMALIO-KKSFZXQISA-N 459.530 2.474 30 10 JEEE CCC(CC)NC(=O)c1nnc(N(C)C[C@@H](C)C#N)n1Cc1cccnc1N1CCOCC1 1291993403 HJYZEXDVPRCTSI-KRWDZBQOSA-N 454.579 2.072 30 10 JEEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1Cc1nnc(C)s1)[C@H]1CCS(=O)(=O)C1 1300503260 BYIOPOLVRAJKSX-SFHVURJKSA-N 486.623 2.309 30 10 JEEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(N(C)C)Cc2ccccc2C1 1300513598 ZRNAGMVVFNNRJB-MHZLTWQESA-N 461.610 2.491 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C)Oc2cccc(OC)c2)CC1 1300683002 UUWMKUYXQDZMOB-LJQANCHMSA-N 475.553 2.157 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@](C)(O)c2cccs2)CC1 1300722473 KDIJUKGGIFMBKT-MBSDFSHPSA-N 457.600 2.455 30 10 JEEE C#CCSCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN(C)C(=O)[C@H]1C 1300762093 NLJLBLIHVRYKRS-QGZVFWFLSA-N 476.647 2.426 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1300905772 VPTHBJIFDBIDTB-GOSISDBHSA-N 481.644 2.175 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC[C@H](C(=O)NC)C1 1301515344 SLQPDZKFDPYDGL-AWEZNQCLSA-N 481.384 2.429 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1301575370 FMQDHPFWGKPIOD-FUHWJXTLSA-N 495.552 2.204 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1c1cccc(C)c1 1301588916 LTHCTBJCEIMKMY-WOJBJXKFSA-N 478.640 2.431 30 10 JEEE CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1CC1(S(C)(=O)=O)CCC1 1314514673 ARURWPWAPTYSBJ-MRXNPFEDSA-N 479.628 2.043 30 10 JEEE COc1ccccc1SCc1nnc(N2CCO[C@@H](C#N)C2)n1CCNC(=O)c1ccco1 1315664693 AAEWHSDNUMWLNJ-INIZCTEOSA-N 468.539 2.331 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@H]2CCC[C@H]2OC)c1 1358900177 DDZVNENOKOROGU-UYAOXDASSA-N 452.559 2.288 30 10 JEEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1358929679 FSHHQLJFDPVPLJ-WZONZLPQSA-N 493.630 2.015 30 10 JEEE C#CCCCn1c(CC(C)(C)C)nnc1N1C[C@@H]2[C@@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1358930495 WOVPDBRESKUOTF-SQNIBIBYSA-N 479.647 2.407 30 10 JEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1358945940 ATAHODOARGBJPV-OAHLLOKOSA-N 461.592 2.221 30 10 JEEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1358966371 NKMZMURSHIPUQK-RCCFBDPRSA-N 475.640 2.333 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(C)CCOCC1 1359023888 ZWQQISXLMSMZQZ-UHFFFAOYSA-N 450.543 2.095 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ccc(N(C)C)nc2)CC1 1359039855 YXORUWMQUSCFMN-IFMALSPDSA-N 451.619 2.461 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CCO[C@@H]1C 1359071248 JMJTVMYYHNJHKC-GRJZNYKUSA-N 475.590 2.119 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2F)n1CCNS(=O)(=O)Cc1ccon1 1359074070 PMJBHXCYSGZQNE-JOCHJYFZSA-N 488.545 2.096 30 10 JEEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1359083900 UAWXUJGYRNFZLR-KRWDZBQOSA-N 469.428 2.071 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(F)(F)c2ccccc2)C1 1359321966 NWKBSSUBTUMALF-RBUKOAKNSA-N 497.568 2.184 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccccc1N1CCOCC1 1359465405 BKJWXSXLEHHENK-SFHVURJKSA-N 460.542 2.406 30 10 JEEE CC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)[C@@H]1CC)N1CCCC1 1497382345 BTDYGJIWRANBOJ-FPOVZHCZSA-N 451.575 2.318 30 10 JEEE CCN1CCCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(OCC(N)=O)CC1 1502293284 BMDXUOKCPIOGCW-HXUWFJFHSA-N 451.575 2.162 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCC[C@@H](O)C1 1504873612 IAJFSDAUNDIZLX-HBMCJLEFSA-N 452.559 2.305 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](OC)C1CC1 1507672008 SPZVEGPFCQJRQY-WOJBJXKFSA-N 457.575 2.474 30 10 JEEE C#CCN1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2C[C@H](C(CC)CC)N(C)C)CC1 1507723237 AGHWKEYFJQBPJL-HSZRJFAPSA-N 490.656 2.314 30 10 JEEE C#CCSCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCNC(=O)CC1 1507749411 VLTMJZCSRIPZCX-UHFFFAOYSA-N 464.389 2.409 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCCCC2)CC1 1507750619 APOWAJSWUYYCSZ-GOSISDBHSA-N 451.662 2.001 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)c2ccccn2)CC1 1507885297 WQZYERXHNMXPGW-SFHVURJKSA-N 460.604 2.140 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cccc(CN(C)C)c2)CC1 1507901984 HFYLIRXSXCFCEU-JOCHJYFZSA-N 488.658 2.123 30 10 JEEE C=CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1507943869 IKVOLXUMAFJZOB-UHFFFAOYSA-N 457.966 2.231 30 10 JEEE C=CCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CC[C@@](C)(C(N)=O)C1 1507955690 ONPMXGYNFQYEGJ-RUZDIDTESA-N 451.619 2.311 30 10 JEEE C=CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 1508055168 BLJMIBRHUZVBOL-UHFFFAOYSA-N 472.615 2.500 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN2C(=O)OC[C@H]2C1 1508133249 GMYGVGKUFQQXON-CQSZACIVSA-N 486.381 2.494 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)ccc2C)nnc1N1CCN(c2ncccn2)CC1 1508144599 VJRHKWNXPHHDNP-UHFFFAOYSA-N 497.625 2.191 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCN([C@H](C)c3nc(CC)no3)CC2)nnc1C(C)(C)C 1508147717 BLIUQPGBOMZUOM-MRXNPFEDSA-N 465.624 2.005 30 10 JEEE C=CCSCCn1c(N2CCN3C(=O)OC[C@@]3(C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1508167378 IIVJMRVUPJDUTO-NHCUHLMSSA-N 451.593 2.269 30 10 JEEE CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCS(=O)(=O)C2)C[C@@H]1C 1515922654 CFPHTAXFPKLZSE-ICSRJNTNSA-N 472.615 2.084 30 10 JEEE COCC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2C[C@@H](C)O[C@H](C)C2)CC1 1518656771 AYXSEOPBHJGDMP-WOJBJXKFSA-N 495.628 2.047 30 10 JEEE C=CCCOCC(=O)N1C[C@@H]2OC(=O)N(C3CCN(C(=O)OCc4ccccc4)CC3)[C@@H]2C1 1530086421 LOIRFFHQEBFICB-RTWAWAEBSA-N 457.527 2.412 30 10 JEEE C#CC[C@H](COC)NC(=O)c1ccc(NC(=O)C[C@@H]2SC(N3CCCCC3)=NC2=O)cc1 1534146465 PFIWILRZEGEXKJ-MOPGFXCFSA-N 456.568 2.267 30 10 JEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 1539052665 IESUVZDXOAKPNZ-APWZRJJASA-N 491.593 2.231 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1Cc1ccc(N(C)C)nc1)[C@@H]1CCS(=O)(=O)C1 1539212647 WTTOXSBVIOTNJD-HXUWFJFHSA-N 464.595 2.390 30 10 JEEE C#CCN(c1nnc(-c2noc3c2COCC3)n1CCCC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1539216711 WELZCNRPUPSDGN-MRXNPFEDSA-N 461.588 2.459 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(=O)NC1CCCCC1 1539312088 IHYIXFYNXVCLGL-UHFFFAOYSA-N 481.626 2.150 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(Br)cc2)n1C[C@H]1CCS(=O)(=O)C1 1539399135 DAWBANOQPFAITJ-OAHLLOKOSA-N 467.389 2.228 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CCC(=O)N(C)C)CC1 1539461410 FOURWZYIDCFGOD-UHFFFAOYSA-N 465.385 2.397 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N(C)C1CCC(NC(C)=O)CC1 1540874866 UMKDEQNVJMKXKS-UHFFFAOYSA-N 454.575 2.351 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(Br)c3)n2CCNS(=O)(=O)CC)C1 1540884614 RTAVAFVURJCTRI-KRWDZBQOSA-N 484.420 2.428 30 10 JEEE COCCNC(=O)[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CCN1C(=O)c1cccc(C)n1 1548372422 DXQSTVZMXYQYCV-FQEVSTJZSA-N 475.471 2.374 30 10 JEEE COCCN1C[C@H](Cn2c(COc3ccccc3OC)nnc2N2CCC(C#N)CC2)CC1=O 1555573535 BVKWRBOZQFZJSZ-LJQANCHMSA-N 468.558 2.101 30 10 JEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)c2ccc(O)cc2)CC1 1587857302 YFBFKYGZJXALAG-IBGZPJMESA-N 456.568 2.399 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@H]1CCOC[C@@H]1OC 1588581257 LZZCKNNIYMSUDQ-KNQAVFIVSA-N 450.543 2.473 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCN(C(C)=O)C1 1595084231 IJHUDLRSPVNHRH-GCJKJVERSA-N 499.641 2.211 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCN(c2ncccc2F)CC1 1595812595 YGJNMJSSWYONBD-UHFFFAOYSA-N 476.603 2.392 30 10 JEEE C[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N2CCOCC2)C[C@H]1C 1612861778 DOKPONDSKILWMT-RBUKOAKNSA-N 452.559 2.460 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCc1cccnc1 1613588192 AQHPJJNFLDXIFA-GOSISDBHSA-N 488.600 2.211 30 10 JEEE CCC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N(C)C)CCN1CCOC 1614442284 DYLNYVGXILQIDH-OAQYLSRUSA-N 453.591 2.232 30 10 JEEE C#CCNC(=O)CN1CCN(C(=O)c2csc(Cc3cccc(C(F)(F)F)c3)n2)CC1 1623498950 KMDWTRWEDUDPHR-UHFFFAOYSA-N 450.486 2.260 30 10 JEEE C=CCS(=O)(=O)CCNC(=O)N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](c2ccccc2F)C1 1633522869 RZGGOULTRGOJDK-FUHWJXTLSA-N 455.552 2.429 30 10 JEEE C=CCOC[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1)C(=O)OC 1639559096 UBCQAJFDQDESSO-QGZVFWFLSA-N 458.964 2.379 30 10 JEEE N#Cc1cnn(-c2ccccc2)c1NC(=O)CN1CCCC[C@H]1COC(=O)N[C@H]1CCOC1 1658561550 AHWKPRSKSGKUKP-ICSRJNTNSA-N 452.515 2.052 30 10 JEEE C#CCN(c1nnc([C@@H](CC)c2ccccc2)n1CC(=O)NCc1ccco1)[C@@H]1CCS(=O)(=O)C1 1689980363 QIFCZZNDOVFTAV-IRLDBZIGSA-N 495.605 2.356 30 10 JEEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(S(C)(=O)=O)cc1 1690052831 QZTFAJDHGXPSDT-UHFFFAOYSA-N 450.568 2.054 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@H](C2CC2)N(C)C)CC1 1690139208 DIFXWGCBTDCPPD-QFIPXVFZSA-N 450.587 2.260 30 10 JEEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccccc1[N+](=O)[O-] 1690219928 NRWUHPRDHOIXPV-LBPRGKRZSA-N 473.353 2.342 30 10 JEEE C=C(Br)Cn1c([C@H]2CCOC2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1690228950 JUHALFIKYJRVAU-SJORKVTESA-N 481.439 2.260 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1690250068 CRCAOLPBXHPCIV-LQWHRVPQSA-N 474.606 2.485 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@H](CC)C1 1690715423 LFNXTJJBQXYCCP-GOSISDBHSA-N 482.006 2.078 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1ccc(C#N)cc1 1690729507 OGTWRTHPVKVHOK-UHFFFAOYSA-N 453.572 2.249 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCN(C[C@H](O)c3ccccc3)CC2)nnc1C(C)(C)C 1690732264 XWLOXGHAUZNMJM-FQEVSTJZSA-N 461.632 2.032 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(C(N)=O)CCOCC1 1692660727 FHHOWYPSRLENKK-ZWKOTPCHSA-N 489.621 2.413 30 10 JEEE CN(Cc1ccc(C#N)cc1)c1nnc(-c2cc(Br)c[nH]2)n1CCS(=O)(=O)N(C)C 1696676174 BKPIEJQRDAOACD-UHFFFAOYSA-N 492.403 2.435 30 10 JEEE N#C[C@@]1(F)CCN(c2nnc(COc3ccc(F)cc3)n2CC2CCS(=O)(=O)CC2)C1 1698485889 DSFNWEPAUISOBF-FQEVSTJZSA-N 451.499 2.263 30 10 JEEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1705540364 WXCJUALDELOSEP-RXVVDRJESA-N 491.589 2.066 30 10 JEEE C#CCN(c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H](OC)C(C)C)[C@H]1CCS(=O)(=O)C1 1705567383 VVPYKWUOBBFWRW-WMQCIHAUSA-N 474.583 2.088 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCc1nccc(C(F)(F)F)n1 1705576854 RHJBVSGVQNGXEX-UHFFFAOYSA-N 478.442 2.045 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCc2cccc(F)c2F)CC1 1705645646 ZIYOWRXJRCJTSZ-RUZDIDTESA-N 487.551 2.417 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2CC2(S(C)(=O)=O)CCCC2)CC1 1705648983 FZAXCOCAVGGADT-UHFFFAOYSA-N 487.601 2.407 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2CCCN2CCCCC2=O)CC1 1705650730 XEORBLBMUSUNLQ-UHFFFAOYSA-N 454.619 2.379 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CCCN2CCc3ccccc32)CC1 1705652864 PZODCERUIULLJM-UHFFFAOYSA-N 450.587 2.233 30 10 JEEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](NC(=O)CC)C1 1705732454 ZSGPXFOFKKVZIM-IBGZPJMESA-N 475.615 2.436 30 10 JEEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1705733510 PFFYMRNRKJENDN-UHFFFAOYSA-N 459.938 2.107 30 10 JEEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1705825248 NVJGSRNPDYKUAE-UHFFFAOYSA-N 470.578 2.148 30 10 JEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2ccccc2OCC)CC1 1705907115 ABTNUKSBXAAKFC-UHFFFAOYSA-N 478.601 2.167 30 10 JEEE C=CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)OC)CC1 1705946956 VRTNGWJOUBTGTP-QGZVFWFLSA-N 496.634 2.394 30 10 JEEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1705948019 GCNSBLODKRZXEE-PGRDOPGGSA-N 486.690 2.048 30 10 JEEE CCN1CCN(CCCn2c(Cc3ccc(Cl)cc3)nnc2N2CCO[C@@H](C#N)C2)CC1 1710300647 GFOGIJMBZISWCS-NRFANRHFSA-N 458.010 2.279 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC1(CS(C)(=O)=O)CC1 1722290907 BZYFREWVPJKPMM-KRWDZBQOSA-N 482.610 2.348 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3OCC[C@H]3COC)n2CCN2CC=CCC2)c1 1722307512 XWSLVYQETADWLQ-URXFXBBRSA-N 478.597 2.320 30 10 JEEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1722328016 WACJAYDYAVPQKD-GOSISDBHSA-N 463.546 2.438 30 10 JEEE C#CCN(CC#CC)c1nnc(Cc2ccc(F)cc2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1722397912 XFRUTEGHGNHFPR-HSZRJFAPSA-N 464.589 2.414 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCC(=O)Nc2ccccc2)CC1 1722447887 OVPXLVDTGQELOG-HXUWFJFHSA-N 464.570 2.167 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1722490818 DMAKHZWHDWETCG-ITBHCLRTSA-N 463.623 2.140 30 10 JEEE C=CCN(CC=C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@]1(O)CCN(C)C1 1722669521 UYJDQMBNCYDFCF-VWLOTQADSA-N 463.586 2.310 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(Nc2cccnn2)CC1 1722702332 HWABLHOUSIWIQJ-WIYYLYMNSA-N 468.606 2.370 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1cccc(C(N)=O)c1 1722703589 CNLMPPSNFUCWGD-UYAOXDASSA-N 454.575 2.234 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCN(C2CCCCC2)C(=O)C1 1722706404 QZYHLDKMLDODGU-UHFFFAOYSA-N 482.585 2.149 30 10 JEEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1740566359 GBLCPRWFIQRCFB-IBGZPJMESA-N 451.575 2.418 30 10 JEEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCN(CC(F)(F)F)C1 1740609312 NSHHUCZQPPUWBA-HNNXBMFYSA-N 459.476 2.146 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1CC1(COC)CCOCC1)[C@H]1CCS(=O)(=O)C1 1740627194 ZBPUXMQYPWYWKE-QFIPXVFZSA-N 486.638 2.247 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCSc1ccc(C)cc1 1740671967 SSGDNAZJXWRCIG-IBGZPJMESA-N 463.629 2.171 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC2([S@@](C)=O)CCC2)CC1 1740701178 XDUKALZTCOKBGJ-TUOSPABCSA-N 490.674 2.105 30 10 JEEE C=C(Br)Cn1c(Cc2ccccn2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1740745771 FBTFBSVLIZYEGL-LJQANCHMSA-N 460.424 2.389 30 10 JEEE C=C(C)Cn1c(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)nnc1[C@]1(OCC)CCOC1 1740786323 ZHNHGISWRMVCJY-QFIPXVFZSA-N 479.578 2.156 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1740992710 LZTVSVUHIWSLMO-MRXNPFEDSA-N 462.469 2.376 30 10 JEEE C=CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1741003272 QKLXMFIMNAOREZ-QFBILLFUSA-N 479.628 2.228 30 10 JEEE CC(C)OC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCN2CCCO)CCO1 1741753385 CMQXDPLGCGQISA-PKTZIBPZSA-N 468.602 2.294 30 10 JEEE CC(C)N1CCC[C@@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(CC#N)CC2)C1 1741918255 ALSUTQURFYURNI-PKOBYXMFSA-N 451.641 2.139 30 10 JEEE Cc1cccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(CC#N)CC2)c1 1742346036 ARBULUMJSFXOHK-FQEVSTJZSA-N 458.588 2.098 30 10 JEEE CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C2CCCC2)CC1 1745800654 BLJAVJHIHOYFSK-UHFFFAOYSA-N 451.575 2.320 30 10 JEEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2ccc3c(c2)OCCO3)CC1 1748698093 QNXWBGZONVALKW-UHFFFAOYSA-N 466.586 2.313 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@@](C)(O)c1cccs1)[C@H]1CCS(=O)(=O)C1 1748820047 YDCJBYHGSZDIQR-LAUBAEHRSA-N 491.664 2.230 30 10 JEEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1CCNC(=O)Cc1cccc(F)c1 1748896594 HASUVWZMQVEWFS-UHFFFAOYSA-N 483.551 2.478 30 10 JEEE C#CCN(CC)c1nnc(Cc2cn3ccccc3n2)n1Cc1ccccc1S(=O)(=O)N(C)C 1748931335 UKHBYLLKPOCCBX-UHFFFAOYSA-N 477.594 2.275 30 10 JEEE C#CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@]1(O)CCC[C@@H]1C 1748949605 FXBWXQRBUDUDNE-SBUREZEXSA-N 474.631 2.184 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](C)CN2CCCCC2)CC1 1749008731 ALMKAWPUCTZEQO-RBBKRZOGSA-N 456.635 2.260 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(S(C)(=O)=O)CC1 1749121574 NSLVJJKHOZAUFQ-RHSMWYFYSA-N 499.435 2.099 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCn1c(C)nc2ccccc21 1749158256 FFIRPTVAWPZFPY-OAQYLSRUSA-N 487.630 2.372 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@]1(O)CCS(=O)(=O)C1 1749170847 LGOGCLJRBQEYHD-HYFFOGBASA-N 483.635 2.001 30 10 JEEE C=C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@H](C)N2CCOCC2)CC1 1749293821 VSVUZRCXUSFGQG-IBGZPJMESA-N 474.631 2.073 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c(-c2noc3c2COCC3)nnc1N1CC(=O)N(C)C[C@@H]1C)C(C)C 1749558140 QOFXLDYGYSZJOK-ICSRJNTNSA-N 483.617 2.371 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1CN(C(=O)OC(C)(C)C)C1 1749575125 MFQCVZGUKBOBQF-QGZVFWFLSA-N 451.593 2.226 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC2(O)CCS(=O)(=O)CC2)C1 1749695575 FAGUKOOXHLKZAK-GOSISDBHSA-N 498.552 2.268 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCN2CCCC[C@H]2C)C1 1749713660 WHYONRQYCQELKG-VAMGGRTRSA-N 451.637 2.226 30 10 JEEE CC(C)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1750846019 ASRUISYHZVFGLM-OAQYLSRUSA-N 486.642 2.332 30 10 JEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](C(=O)N(C)c2ccccc2)C1 1760130235 GCHUVYUWLQEPIB-MOPGFXCFSA-N 472.615 2.181 30 10 JEEE C#CCCCCn1c(N2CCN(c3nc(CC)ns3)CC2)nnc1[C@@]1(OCC)CCOC1 1760142439 CEYGOJYZMURIKS-JOCHJYFZSA-N 459.620 2.474 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CC(=O)NC1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1760183426 OXPOFXVZSUAPMM-GOSISDBHSA-N 491.017 2.069 30 10 JEEE C#CCN(CC)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1760238990 RZUWKHYEFURHTN-IBGZPJMESA-N 455.005 2.233 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC(C)(C)N2C[C@@H](C)C[C@@H](C)C2)CC1 1760257191 QRUQQXUYNGSDEV-TVZXLZGTSA-N 472.678 2.442 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CCN(CC)C(=O)OC(C)(C)C)CC1 1760262541 PRPKRSAGHSMICS-UHFFFAOYSA-N 453.591 2.276 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2cc(C)cc(C)c2)CC1 1760269500 JXHYKMXUPKWHIB-JOCHJYFZSA-N 483.638 2.006 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2ncc(F)cn2)CC1 1760313737 PPKJCKXVFSEONN-YLJYHZDGSA-N 486.596 2.433 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1760318134 DOWXSZANPQLFLK-DSKINZAPSA-N 475.615 2.405 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(C)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1760323871 HMVODAYXUATHAU-OFVILXPXSA-N 482.629 2.357 30 10 JEEE C=C(C)COCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCCN(CC)C(=O)C1 1760355374 HKLMIPZDKJCJRD-UHFFFAOYSA-N 451.531 2.245 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nc2c(s1)C[C@H](C)CC2 1760495703 VAQXQZJBWBYOJU-AEFFLSMTSA-N 492.671 2.419 30 10 JEEE C=CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1760508698 GEEXODFCKFQVDZ-UHFFFAOYSA-N 467.530 2.205 30 10 JEEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCc2c(ccnc2N(C)C)C1 1760525075 SQMCHGXFMIJOPV-UHFFFAOYSA-N 467.524 2.473 30 10 JEEE C=CCOc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@H](C(=O)OC)C2)cc1 1760529355 DJBJPWDCJXAZOF-OALUTQOASA-N 474.583 2.183 30 10 JEEE CC(C)(C)[S@](=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1760804501 FXDKZDGTIZZFPP-OGPYBGEISA-N 467.599 2.466 30 10 JEEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCCC1(F)F 1761362686 GQCXBQHLNKVMJU-OAGGEKHMSA-N 460.551 2.175 30 10 JEEE CCOCc1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1CCN1CCOC[C@@H]1C 1767855808 CJVBFUREJVIMJN-IBGZPJMESA-N 454.575 2.455 30 10 JEEE CCOC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)C1 1767989875 BNGOWIGJAFBBQG-IBGZPJMESA-N 458.588 2.105 30 10 JEEE COc1ccc(CCn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@H](C#N)C2)cc1F 1768596589 CQVNKCMNZIYNMY-MRXNPFEDSA-N 451.462 2.045 30 10 JEEE C=CCN(CC=C)C(=O)[C@H](C)NC(=O)c1cc(-c2cccs2)n([C@@H]2CCS(=O)(=O)C2)n1 1868771826 UYKPMYXUTRHXBS-JKSUJKDBSA-N 462.597 2.290 30 10 JEEE C=CCN=c1[nH]c(=NC[C@H](O)c2ccc(Cl)cc2)[nH]c(=NC[C@H](O)c2ccc(Cl)cc2)[nH]1 1871740505 OXPYIVICRJNEEQ-OALUTQOASA-N 475.380 2.333 30 10 JEEE C=CCn1c(C(=O)NCCOC)cc2c(N3CCN(Cc4ccc5c(c4)OCO5)CC3)ncnc21 1873591823 SEPAALBYRVVCTE-UHFFFAOYSA-N 478.553 2.044 30 10 JEEE NC(=O)CSc1nnc(CCCOc2ccccc2)n1/N=C/c1cc2c(cc1[N+](=O)[O-])OCCO2 1874317225 ILUWKDHKPRROJP-ZMOGYAJESA-N 498.521 2.429 30 10 JEEE COCc1nnc(SCC(=O)NCc2ccccc2)n1/N=C/c1cc2c(cc1[N+](=O)[O-])OCCO2 1874506164 QELGTRRYQFEUGH-WYMPLXKRSA-N 498.521 2.395 30 10 JEEE CC(C)N1C(=O)CS[C@@H](C(=O)N2CCC(C(=O)N3CCOCC3)CC2)[C@H]1c1ccc(C#N)cc1 1890729976 HIWJTBSHKNVRST-DHIUTWEWSA-N 484.622 2.049 30 10 JEEE N#C[C@@](N)(Cn1cnc(I)c1I)C1(Cl)CC1 1995079387 FSVSCPTWZASEOC-SECBINFHSA-N 462.460 2.085 30 10 JEEE C=CCC1(C(=O)N2CC[C@@](NC(=O)OC(C)(C)C)(C(=O)O)C2)CN(C(=O)OC(C)(C)C)C1 2059556500 DVFUJRZPOUPELZ-QFIPXVFZSA-N 453.536 2.380 30 10 JEEE C[C@H](C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)N1CC(NC(=O)OC(C)(C)C)C1 2188297986 HNGYQBZIUVPGCI-MRXNPFEDSA-N 459.396 2.199 30 10 JEEE CC1(C)OB(c2cccnc2N2CCO[C@@]3(CCCN(C(=O)C(F)(F)F)C3)C2)OC1(C)C 2241099199 GIJFMGCMJOYVNS-FQEVSTJZSA-N 455.286 2.141 30 10 JEEE CC(C)(C)OC(=O)NCC1(CNC(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)COC1 2255705267 SCYOLCCTYLMHRR-UHFFFAOYSA-N 452.382 2.318 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1COCCN1C(=O)c1csc(B2OC(C)(C)C(C)(C)O2)c1 2255710548 MHEJQLNEVUKSBZ-HNNXBMFYSA-N 452.382 2.413 30 10 JEEE CC(C)(C)OC(=O)NC1(C(N)=O)CCN(C(=O)[C@H]2C[C@H](B3OC(C)(C)C(C)(C)O3)C2)CC1 2267122860 PPCMJZXUMJILFY-SHTZXODSSA-N 451.373 2.230 30 10 JEEE CC(C)(C)OC(=O)NC[C@]1(F)C[C@H](CNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2267143473 IMEJZGMMWMIULL-KIFPSNHUSA-N 452.336 2.082 30 10 JEEE CC(C)(C)OC(=O)NCCCONS(=O)(=O)c1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2267467116 LWPXTANECNYRJM-UHFFFAOYSA-N 474.360 2.250 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C[C@H]1CO 2267616400 SHSASPWUDZDEIJ-LSDHHAIUSA-N 466.409 2.395 30 10 JEEE CC(C)(C)OC(=O)NCC1(O)CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2Cl)C1 2267692840 VDBDQIPJEXNEMQ-UHFFFAOYSA-N 466.771 2.351 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@@](C(=O)N=c3nc(B4OC(C)(C)C(C)(C)O4)[nH]s3)(C2)C1 2268637007 JFVGVEYPJTWYAR-YEJXKQKISA-N 464.397 2.235 30 10 JEEE CO[C@H](CNC(=O)OC(C)(C)C)CC(=O)N=c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)[nH]1 2268656332 VZKTWGREYCMXBD-ZDUSSCGKSA-N 469.775 2.324 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@@]2(CC(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2268798478 LCWCMVKKQAYOLF-LRTDBIEQSA-N 464.397 2.235 30 10 JEEE C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2269692886 MXUDGARFKIGNIF-CXAGYDPISA-N 452.332 2.015 30 10 JEEE Cn1cc(C(=O)N2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)c(B2OC(C)(C)C(C)(C)O2)n1 2281975733 QYLZBHXOWHAAOK-HOTGVXAUSA-N 460.384 2.048 30 10 JEEE Cn1nc(C(=O)NC[C@H]2CCCCN2C(=O)C(F)(F)F)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2282058723 YRQYRXREGSBYAB-LLVKDONJSA-N 478.708 2.046 30 10 JEEE CO[C@@H]1CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2F)C[C@H]1NC(=O)OC(C)(C)C 2282407964 APPUSWZLQPVLQS-QZTJIDSGSA-N 464.343 2.489 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@](CO)(NC(=O)c2cc(F)ccc2B2OC(C)(C)C(C)(C)O2)C1 2282412700 TZPSHNUSPWBKLW-HSZRJFAPSA-N 464.343 2.227 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@H](CNC(=O)c2ccc(F)c(B3OC(C)(C)C(C)(C)O3)c2)C1 2282474658 DAFJKIGRRQVEDN-INIZCTEOSA-N 464.343 2.491 30 10 JEEE CCn1cc(C(=O)N[C@@]23CC[C@@H]2CN(C(=O)OC(C)(C)C)C3)nc1B1OC(C)(C)C(C)(C)O1 2282540593 LNPVDFMTIBWSQJ-IQMFZBJNSA-N 460.384 2.332 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCCCOCCNC(=O)OC(C)(C)C)n1 2282554149 ZAOPPNJYELARSF-UHFFFAOYSA-N 463.384 2.350 30 10 JEEE C[C@@H](CNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)o1)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 2282626367 GHWKBIHDIHJINM-NPMXOYFQSA-N 464.368 2.317 30 10 JEEE CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1ncc(C)cc1B1OC(C)(C)C(C)(C)O1 2282646129 XIEJQZSTSRLBOE-SJORKVTESA-N 461.368 2.053 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@H]1C 2282687886 MGBVGBOPVFWNEW-UKRRQHHQSA-N 457.302 2.479 30 10 JEEE CN(Cc1ccccc1B1OC(C)(C)C(C)(C)O1)C(=O)C1(CO)CN(C(=O)OC(C)(C)C)C1 2283987905 OMRFMNJQGXLTIF-UHFFFAOYSA-N 460.380 2.174 30 10 JEEE CCOc1ccc(C(O)=C2C(=O)C(=O)N(CCOCCO)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 2296154678 UPPKLPQGPSGVSC-FQEVSTJZSA-N 456.451 2.424 30 10 JEEE N#Cc1ccc(N2C[C@H](C(N)=O)[C@@H](C3CCN(C(=O)c4ncccn4)CC3)C2)cc1C(F)(F)F 2297650216 JOTLBCUEPNSRSG-MSOLQXFVSA-N 472.471 2.457 30 10 JEEE O=C(C=Cc1ccco1)C1=C(O)C(=O)N(CCN2CCOCC2)[C@@H]1c1cccc([N+](=O)[O-])c1 2314522668 SOCDMVZMXKKINJ-OAQYLSRUSA-N 453.451 2.498 30 10 JEEE CCCNC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1N=Cc1ccc([N+](=O)[O-])cc1 2329010776 BOGUFHBCBFBGMW-INIZCTEOSA-N 473.559 2.411 30 10 JEEE CC[C@@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)CC[C@@H]1NC(=O)OC(C)(C)C 2362352232 BYDBNQMGAHCQQY-CVEARBPZSA-N 462.400 2.485 30 10 JEEE COc1nc(N2C[C@H]3CC[C@H]2[C@@H](NC(=O)C(F)(F)F)C3)ccc1B1OC(C)(C)C(C)(C)O1 2365346623 WTEJVKJGKNAMAF-QEJZJMRPSA-N 455.286 2.425 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@H]2C[C@H](NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)sn3)C[C@@H]21 2369090809 VHMFTKGSMNTGEI-VNQPRFMTSA-N 479.408 2.339 30 10 JEEE C/C(Cl)=C\Cn1c(N/N=C2/C(=O)Nc3ccc(Br)cc32)nc2c1c(=O)[nH]c(=O)n2C 38179125 WSHWGDYPYQSBDY-VMPITWQZSA-N 492.721 2.097 30 10 JEEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)CC1 512710301 QDGFOAFWNNKYAE-SFHVURJKSA-N 453.370 2.044 30 10 JEEE Cn1ncc(CNC(=O)OCC2c3ccccc3-c3ccccc32)c1C(=O)NCC#CC(=O)O 757478439 DVXFGQIHHGVWMN-UHFFFAOYSA-N 458.474 2.277 30 10 JEEE C#CCCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCO[C@@H](CNC(C)=O)C1 1286322953 FJWVGQBERAGAJR-FQEVSTJZSA-N 491.596 2.381 30 10 JEEE C#CCN(c1nnc([C@H](C)OCCOC)n1Cc1ccc(Cl)cc1F)[C@@H]1CCS(=O)(=O)C1 1286383707 DRHYTFDFEWXQNY-MAUKXSAKSA-N 484.981 2.470 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1CC[C@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1286388340 NPJHDECBGZERLC-IRXDYDNUSA-N 482.965 2.170 30 10 JEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C 1286462780 VVEGHKYJQUMJHF-KRWDZBQOSA-N 486.573 2.491 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC2([S@@](C)=O)CCC2)CC1 1286470162 UGOKUZYCHRLUOJ-MGBGTMOVSA-N 468.627 2.204 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2CC(F)(F)CO2)CC1 1286473311 KHIXHHDEJRQOII-CQSZACIVSA-N 455.307 2.215 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC[C@@H](C(=O)NC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1286561433 FFITXRGFZKQMJF-MTXNFPGFSA-N 461.607 2.262 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1ccccc1OC)C1CC1 1286592492 IIIAXBIDBNKJHA-FQEVSTJZSA-N 461.588 2.365 30 10 JEEE C=C(C)COCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1286605155 IHAMGKIJNJGHFW-NRFANRHFSA-N 470.599 2.414 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cccc(OCC)c2)CC1 1286663577 NPIKULBVYWZJFL-OAQYLSRUSA-N 475.615 2.460 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 1286819059 YCQRAOZQDDJUAD-KRWDZBQOSA-N 491.639 2.485 30 10 JEEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCC(C#N)CC3)n2CCC2(O)CCC2)c1 1298096454 GTJUVVNMHMEFNR-UHFFFAOYSA-N 458.588 2.240 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3OCC[C@H]3COC)n2C[C@](C)(O)C(C)C)c1 1300336851 PEFIYGIHHDFRKM-JTJYXVOQSA-N 469.586 2.465 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCN(C)[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1300484066 QZHSKMDRAUFXDE-NVXWUHKLSA-N 497.463 2.393 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCC(=O)NC1CC1 1300547363 KRKIBZBJUWCXNQ-IBGZPJMESA-N 454.575 2.482 30 10 JEEE C#CCSCCn1c(-c2ccc3ccccc3n2)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1300750800 CEKPKYLIQVWRHF-LJQANCHMSA-N 465.604 2.486 30 10 JEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1300972671 NYTDVJWVDKSIRY-HXUWFJFHSA-N 456.595 2.232 30 10 JEEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1301196503 CPFIZKHXCOKUQP-QGZVFWFLSA-N 456.613 2.159 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N(C)C[C@@H](c1cccs1)N1CCOCC1 1301499752 FJWVWSBDNXFCOI-OALUTQOASA-N 474.631 2.046 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC2(O)CCOCC2)C1 1301567250 GBTPINFOICIWFJ-OTWHNJEPSA-N 477.606 2.372 30 10 JEEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@](C)(O)c1ccc(F)cc1 1306193342 FWOVUBWEQHMDCK-QHCPKHFHSA-N 452.538 2.128 30 10 JEEE C=C(C)CN(Cc1ccc(CO)o1)c1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] 1307118921 TWZLQHPKOKARSL-UHFFFAOYSA-N 451.501 2.284 30 10 JEEE C=CCc1cc(CNC(=O)N2CCC(C(=O)OCC)([S@](C)=O)CC2)cc(OC)c1OC 1311748297 OADWPZNUYWWYAN-HKBQPEDESA-N 452.573 2.418 30 10 JEEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCCN(c2nccs2)CC1 1314529030 BUQBREYZTPMRQK-UHFFFAOYSA-N 471.612 2.425 30 10 JEEE C#CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@H](C)C(=O)NC 1358913058 DYDKKIGAUAVANI-ZWKOTPCHSA-N 462.595 2.208 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1Cc1cccc(CO)c1)[C@@H]1CCS(=O)(=O)C1 1358965075 NHXKJZJCDRDJOC-HXUWFJFHSA-N 456.593 2.098 30 10 JEEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1CC[C@@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1358967351 IYJNLQIOXGZYIS-FPOVZHCZSA-N 488.610 2.452 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCCNC(C)=O 1358992021 WTCKNSAMRYYAJM-UHFFFAOYSA-N 459.554 2.054 30 10 JEEE C#CCN(CCOC)c1nnc(COc2ccc(Br)cc2)n1Cc1nnc2n1CCC2 1359027122 WVXZGPIOHQMYGE-UHFFFAOYSA-N 486.374 2.292 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CC(=O)NCC(F)(F)F)CC1 1359031964 VZHQVSUPFFXPJC-UHFFFAOYSA-N 499.335 2.450 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCc2nccnc2C)CC1 1359035528 WSTHNWHEDNCXOF-OAQYLSRUSA-N 494.644 2.489 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2Cc2nnc(CC)s2)CC1 1359038732 IDRJPUOXDIRXAU-UHFFFAOYSA-N 453.572 2.083 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2Cc2ccc(OCCO)c(OC)c2)CC1 1359042323 BDKUKNNJRVYXRG-UHFFFAOYSA-N 493.564 2.240 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 1359047858 WCGCGDIJYNUVJZ-IBGZPJMESA-N 474.606 2.180 30 10 JEEE C#CCSCCn1c(Cc2ccccc2C)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1359059061 ZSEKCGLRICICDX-UHFFFAOYSA-N 461.657 2.404 30 10 JEEE C=C(Cl)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1359141288 BJLATJZMNZUTRB-UHFFFAOYSA-N 459.982 2.375 30 10 JEEE C=CCCCn1c(Cc2ccsc2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1359218358 GVZOHJXWODTAGK-UHFFFAOYSA-N 475.644 2.449 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2COc3ccccc3O2)n1CCS(=O)(=O)N1CCSCC1 1359271752 COGCFUPYHTZPGC-HXUWFJFHSA-N 491.639 2.348 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(C(=O)NCCCC)CC1 1359296723 RYJCVSPRVZGALB-UHFFFAOYSA-N 482.585 2.151 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC(S(=O)(=O)c2ccccc2)CC1 1359302595 MNNJOLHPCIDGDQ-UHFFFAOYSA-N 480.594 2.009 30 10 JEEE C=CCn1c(S)nc2cc(C(=O)N3CCN(C(=O)OC(C)(C)C)C[C@@H]3C#N)ccc2c1=O 1465696773 QVHFMYYJEOGGBV-HNNXBMFYSA-N 455.540 2.456 30 10 JEEE C#CCN(c1nnc(-c2ccccc2F)n1CCc1nccnc1C)[C@H]1CCS(=O)(=O)C1 1507629948 RKCDEMVDFABBBX-KRWDZBQOSA-N 454.531 2.052 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCCOC1 1507711121 OFMBEGKIJGBSCW-RBUKOAKNSA-N 463.579 2.099 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2Cc2cc(C)on2)CC1 1507741050 KAJXAEJHIRCDBT-UHFFFAOYSA-N 452.490 2.307 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccccc2OCCOC)CC1 1507741662 YKNWCSYKHTZJTH-JOCHJYFZSA-N 467.570 2.169 30 10 JEEE C#CCSCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1507754932 QHDARYFBQUJKMA-ROUUACIJSA-N 497.687 2.382 30 10 JEEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1507785392 QJYPSMHCOOONFS-KRWDZBQOSA-N 468.396 2.156 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1507804971 LODOEMRDZBOPKA-HUUJSLGLSA-N 480.679 2.180 30 10 JEEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(F)cn2)CC1 1507914490 MCYKXEKOFXMTCT-INIZCTEOSA-N 465.599 2.351 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(CN2CCO[C@@H](C)C2)c1 1507983314 PYFOJENFXARHJL-GHTZIAJQSA-N 459.616 2.071 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@](C)(C(=O)NC)C1 1508071936 BSCVCGDSHQVROP-KOSHJBKYSA-N 454.575 2.300 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCCN(c2nc(CC)ns2)CC1 1508088178 XODZMLCNWPLJSJ-UHFFFAOYSA-N 484.605 2.441 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@]2(C)CN(C)C2=O)C1 1508114829 CEOPDKAMAUUUEY-XDHUDOTRSA-N 471.558 2.231 30 10 JEEE CC(C)C[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1)N(C)C 1509103675 ICRJWKWBQZWNGJ-OAQYLSRUSA-N 479.633 2.084 30 10 JEEE CCc1cccc2c(CCn3c([C@H]4CN(S(C)(=O)=O)CCO4)nnc3N(C)C[C@H](C)C#N)c[nH]c12 1513676700 GRXGAYWOBRQQPF-DYESRHJHSA-N 499.641 2.493 30 10 JEEE CCO[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC(=O)N(CCOC)C2)C1 1516405624 GPBWRJMOIYHBJW-TZIWHRDSSA-N 452.559 2.317 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(C2CCCC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1519149785 BXHGDILXPXPUFH-QHCPKHFHSA-N 473.599 2.010 30 10 JEEE N#Cc1ccc(OCc2nnc(N3CCC(CO)CC3)n2C[C@H](N2CCOCC2)C(F)(F)F)cc1 1521101737 HWCHRDQJRGRUDA-FQEVSTJZSA-N 494.518 2.201 30 10 JEEE C=CCn1cc(CNC(=O)c2ccc(OC)c(S(=O)(=O)N(C)Cc3ccccc3)c2)nn1 1529264663 HDEQHIQDMPOPAQ-UHFFFAOYSA-N 455.540 2.223 30 10 JEEE C#CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1539118647 CRGMRZIBIRLJNX-GOSISDBHSA-N 457.579 2.020 30 10 JEEE C#CCCCn1c(N2CC[C@@H](C(=O)NCC(F)(F)F)C2)nnc1[C@]1(OC(C)C)CCOC1 1539140795 QWQHLKYKGUDOBG-UZLBHIALSA-N 457.497 2.237 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@H](C)c1nc(C)cs1)[C@H]1CCS(=O)(=O)C1 1539210192 BJPFACPMXPWEPO-RDJZCZTQSA-N 458.613 2.479 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CC1(CCOCC)CC1)[C@H]1CCS(=O)(=O)C1 1539219479 CVLRYNDEMNCRFG-OALUTQOASA-N 450.605 2.006 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1cccc(NC(=O)OC)c1)[C@H]1CCS(=O)(=O)C1 1539220830 MDRQUWTZEKWCPR-PMACEKPBSA-N 487.582 2.373 30 10 JEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1c(C)noc1C 1539237959 OBHHXQUSKBQKIP-UHFFFAOYSA-N 451.556 2.273 30 10 JEEE C#CCSCCn1c(N2CCN(C(=O)Cc3ccccc3C)CC2)nnc1[C@@]1(OCC)CCOC1 1539530102 BNGYHAFBBTYOKU-AREMUKBSSA-N 497.665 2.496 30 10 JEEE C=C(Br)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1539586925 RIDFEDSPEQCNAY-UHFFFAOYSA-N 496.797 2.476 30 10 JEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(c2cnn(CC)c2)CC1 1540035721 HQVSXEKZRFYTON-LJQANCHMSA-N 462.620 2.373 30 10 JEEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)CC1CC(F)(F)C1 1540870652 SEMCUPIOLZJBLP-UHFFFAOYSA-N 460.533 2.236 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(CC(F)(F)F)CC1 1540876521 ULTUMNHBXGCMBW-NVXWUHKLSA-N 458.529 2.183 30 10 JEEE C=CCOc1ccc(Cn2c(-c3cccnc3)nnc2N2CC[C@H](S(=O)(=O)NCC)C2)cc1 1540877830 HCINIGVWXJTYQZ-NRFANRHFSA-N 468.583 2.471 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1540908392 FWAKMVPLWIUDKE-SFHVURJKSA-N 494.589 2.371 30 10 JEEE CC(=O)N(C)C1CCN(c2nnc(CCc3ccccc3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1540933266 LCJOAMSKGPBFOB-IZHYLOQSSA-N 491.596 2.037 30 10 JEEE C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCO[C@@H](C#N)C2)n1CC1(S(C)(=O)=O)CC1 1541975981 DQLPYOOUSVSRTD-PBHICJAKSA-N 465.963 2.377 30 10 JEEE CCC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1)OC 1546908487 HZOAFWVBCOKCIQ-FQEVSTJZSA-N 460.604 2.492 30 10 JEEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCN(C(C)C)CC2)C[C@H](C)O1 1555388508 HDGCWXKRVRTAQD-UGKGYDQZSA-N 468.602 2.292 30 10 JEEE C#CCNC(=O)CN1CCCN(C(=O)c2ccccc2OCc2cn3cc(C)ccc3n2)CC1 1565590221 RXUIQVSBLDYUPF-UHFFFAOYSA-N 459.550 2.119 30 10 JEEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3F)C2=O)c1 1587010903 LDNYWPNQMUOXBY-KRWDZBQOSA-N 451.907 2.479 30 10 JEEE C#CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(C(=O)OC)CC1 1587754790 MTMSYBNZBAXLRU-UHFFFAOYSA-N 463.542 2.367 30 10 JEEE C#CCCCCn1c(CCc2ccccc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1587777399 DMAGBQZBDOENDY-UHFFFAOYSA-N 450.587 2.040 30 10 JEEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(c2cc(OC)cc(OC)c2)CC1 1587851040 BQFDLHCLXZQAGM-NRFANRHFSA-N 452.559 2.377 30 10 JEEE C#CCCCn1c(Cc2ccc(F)cc2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1587865042 GUVOFKZXEMJGKO-XXBNENTESA-N 452.578 2.410 30 10 JEEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)Nc2cccc(C)c2C)CC1 1587878942 KXUHVNUNSQWNQH-UHFFFAOYSA-N 477.613 2.191 30 10 JEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(C(=O)N(C)C)CCCC1 1587988891 DFOWZFSBTOLJON-GOSISDBHSA-N 474.606 2.305 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1Cc1oc(CC)nc1C)[C@H]1CCS(=O)(=O)C1 1588044656 AISKKDOKWYNJAK-KRWDZBQOSA-N 469.567 2.488 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCCN1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1588053926 IXEPQUUFFQLGEL-BHDDXSALSA-N 477.675 2.311 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1588075055 WQGGWIBPDBWSLO-NJDAHSKKSA-N 488.658 2.419 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccc(OC)cc1)N1CCCC1 1588385171 FSULKBWFPKKTSV-IFMALSPDSA-N 471.627 2.485 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCC(=O)N[C@H](C)CC)CC1 1588763307 UBGVGUIHUUNGHM-GOSISDBHSA-N 454.575 2.022 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2CCNC(=O)c2cccs2)CC1 1588871628 KLQDGSGUSDMBFF-UHFFFAOYSA-N 468.558 2.243 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccccc2OCC)CC1 1588892163 YGNZQMFIADYWMS-AREMUKBSSA-N 481.597 2.343 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2CCNC(=O)OC(C)(C)C)CC1 1588914147 YBRBNLYAPMDKNC-UHFFFAOYSA-N 482.585 2.444 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1589484698 VUDJTCIVCWPZOL-DYXWJJEUSA-N 460.623 2.482 30 10 JEEE C=CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CCOC)C(=O)C1 1594625604 HPZRXAIFENWVSX-LJQANCHMSA-N 492.621 2.238 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC(NS(=O)(=O)CC)CC1 1595489143 DBDDNORDGAFBSA-UHFFFAOYSA-N 497.625 2.012 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](c2cccc(C)c2)C1 1595796985 CYYFLQBOWAJTEO-WOJBJXKFSA-N 478.640 2.083 30 10 JEEE CC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCCO[C@@H](C)C2)C1 1596421122 GWVIMIBUHGOIRQ-WMZHIEFXSA-N 465.602 2.423 30 10 JEEE CC(C)(C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cnccn2)CC1 1596951213 FQVQFAZBPPAVOK-UHFFFAOYSA-N 459.558 2.096 30 10 JEEE COc1ccccc1CN(C[C@H]1CCCO1)C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 1626105838 IFFQHUGIZYFQKB-FXAWDEMLSA-N 457.552 2.441 30 10 JEEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccc(CN3CCC[C@@H](C(N)=O)C3)cc2)c1 1632031991 QZATXTIDSZLARZ-HXUWFJFHSA-N 453.564 2.433 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCSCc2ccccc2F)CC1 1690109612 XZZKFMVKKWLUPQ-UHFFFAOYSA-N 456.591 2.342 30 10 JEEE C=CCC(C)(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C(=O)OC)CC1 1690424645 VUTKWWMGYBKBBA-UHFFFAOYSA-N 451.535 2.412 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCNC(=O)C(C)(C)C)C1 1690689304 BHQIZZGVFRSDAA-GOSISDBHSA-N 475.615 2.292 30 10 JEEE C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCO[C@@H](C#N)C2)n1CCS(=O)(=O)C(C)(C)C 1692818250 AHFDZGRFLGJCQV-QAPCUYQASA-N 465.551 2.499 30 10 JEEE CCCNC(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1695424155 HCZYJPWXQNADMP-SFHVURJKSA-N 489.584 2.247 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC[C@H](C(F)F)N1CCOCC1 1705490609 NOCTTZLADOWNER-YLJYHZDGSA-N 499.566 2.489 30 10 JEEE C#CCN(C)c1nnc(-c2cc(F)ccc2Br)n1CCN1CCN(C(C)=O)CC1 1705544296 LLGDTUGOWNXDHO-UHFFFAOYSA-N 463.355 2.080 30 10 JEEE C#CCN(C)c1nnc(COc2ccc(OC)cc2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1705557322 NQQUDKHHCJDJAV-OALUTQOASA-N 467.549 2.281 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCNC(=O)[C@H](C)CCC)CC1 1705640289 MHDSOZWFHPQKRF-DENIHFKCSA-N 466.586 2.098 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2cnn(CC)c2)CC1 1705646599 JPMVLOVHXONMFD-UHFFFAOYSA-N 462.514 2.084 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(OC)c(OC(F)F)c2)CC1 1705648986 GEEUDVHKWOSQCW-UHFFFAOYSA-N 499.522 2.303 30 10 JEEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2C#N)CC1 1705800076 NPQAWDVBMHBMLL-SFHVURJKSA-N 457.604 2.443 30 10 JEEE C=CCN(CC=C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1705873437 ITBVSZANMXYRQZ-GOSISDBHSA-N 497.625 2.135 30 10 JEEE CC(C)CN1CCO[C@@H](Cn2c(CNC(=O)c3cccs3)nnc2N(C)C[C@H](C)C#N)C1 1706517205 COABCDOWZKRKBN-QZTJIDSGSA-N 459.620 2.222 30 10 JEEE CNC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC[C@@H](O)C2)C1 1711347804 HHHBMOZAFNBEQU-XUVXKRRUSA-N 452.559 2.242 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1Cc1cccnc1OC)[C@H]1CCS(=O)(=O)C1 1722362624 NVPTXQSXZPVCQI-SFHVURJKSA-N 497.577 2.041 30 10 JEEE C#CCN(c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H](OC)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1722368648 UHOONDKRUIOTAD-QMMLZNLJSA-N 488.610 2.478 30 10 JEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCn1ccnc1C 1722376540 RTDXVNIJETXOLM-UHFFFAOYSA-N 464.599 2.215 30 10 JEEE C#CCN(CC#C)c1nnc(CCc2ccc(OC)cc2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1722385131 AMYFDOHPAHOBAX-UPVQGACJSA-N 495.649 2.349 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1CC1(c2ccc(F)cc2)CCOCC1 1722419224 UDGLCEAFQVUVIF-UHFFFAOYSA-N 457.550 2.390 30 10 JEEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CC[C@](C)(N2CCOCC2)C1 1722479242 GWQYMZWNJLQCPB-LPHOPBHVSA-N 458.401 2.212 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(N2CCN(Cc3nc(COC)no3)CC2)nnc1C(C)(C)C 1722499323 IKRALNGPEOJQOW-YLJYHZDGSA-N 459.595 2.408 30 10 JEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1722618658 UJJGNKJFVFFOEV-UWJYYQICSA-N 455.625 2.219 30 10 JEEE C=CCN(CCOC)c1nnc(-c2ccc3ccccc3n2)n1CCN1CCN(C(C)=O)CC1 1722677846 GIYVYGXMRMOYQL-UHFFFAOYSA-N 463.586 2.296 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@@](C)(OC)C1 1722688584 GLLVNZXOPSGSHR-LJQANCHMSA-N 451.369 2.354 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(c3ccccn3)CCC2)C1 1722710010 BVNNTEUIORXUAF-ZWKOTPCHSA-N 460.604 2.187 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC(CN2C[C@H](C)O[C@H](C)C2)CC1 1722726075 YSFJQCIVCCOBLL-BGYRXZFFSA-N 488.658 2.267 30 10 JEEE CC(C)[C@H]1OCCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(C#N)C1 1723940823 DGBZHHMJPGYNTN-LXGFNABISA-N 452.625 2.470 30 10 JEEE CC[C@@H](C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCN1CCN(C)C(C)(C)C1 1727001537 HTSKYOROVDWHCO-HXUWFJFHSA-N 465.650 2.411 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2C[C@@H]2CCCCS2(=O)=O)c1 1740564820 YNTFAZYQXJAQKP-QFIPXVFZSA-N 492.605 2.287 30 10 JEEE C#CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@H](CNC(C)=O)C1 1740571803 VQTXPUACQZHZQT-LJQANCHMSA-N 471.631 2.394 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCc2csc(CC)n2)CC1 1740699743 RJLRPBTYUXCJBH-UHFFFAOYSA-N 469.640 2.286 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C)n2Cc2ccc(OCCN3CCCC3)cc2)CC1 1740703436 SJQPDQMCEDHRAM-UHFFFAOYSA-N 450.587 2.075 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2csc(C)c2)CC1 1740703440 SQHCSILYKBPQGB-HSZRJFAPSA-N 457.600 2.314 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H](OC)C(CC)CC 1740732353 ZYWCUYZVQUIDGE-ZRCGQRJVSA-N 481.663 2.444 30 10 JEEE C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CC(=O)N2CCN(CC)CC2)CC1 1740861916 DUASWFAZGJQHHZ-OAQYLSRUSA-N 471.650 2.356 30 10 JEEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C)C1CC1 1740906419 OCDYHDHZCYBWRC-RDJZCZTQSA-N 468.624 2.443 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1740956637 WJAVPWZVIDDOCW-OAHLLOKOSA-N 451.980 2.304 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1740982164 UGKRDWNEEJVOHJ-IEBWSBKVSA-N 463.579 2.071 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2csc(C)n2)c1 1748692164 CXJQIQWWZRPLMN-GOSISDBHSA-N 498.634 2.244 30 10 JEEE C#CCCCCn1c(N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)nnc1[C@]1(OCC)CCOC1 1748731227 XUVPHVBTPVVZDF-DVECYGJZSA-N 477.606 2.464 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(Br)cc2)n1CCC(=O)N1CCOCC1 1748833058 HKKJXDKEYCMVTH-UHFFFAOYSA-N 456.344 2.029 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCCOc2ccc(F)cc2)CC1 1749001540 VYDZEMGYJFVIRX-UHFFFAOYSA-N 482.560 2.088 30 10 JEEE C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccs1 1749103930 HKPUCBRVHMKEBA-AWEZNQCLSA-N 476.422 2.218 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)OC 1749530962 AQMWHUJEQRTPRD-FQEVSTJZSA-N 488.614 2.100 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCc1cccs1 1750966057 AWCPBGGZGFXPPK-MRXNPFEDSA-N 465.587 2.097 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@H]1CC(F)(F)CO1)[C@@H]1CCS(=O)(=O)C1 1760185531 YVESVWCOSUXXFE-IAGOWNOFSA-N 450.511 2.304 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(CN(C)CC)c1 1760218302 CMXLHMRKNGFJBI-JOCHJYFZSA-N 453.612 2.143 30 10 JEEE CC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1)NC(=O)OC(C)(C)C 1764224478 AXCAXNUFJMQTKW-RBUKOAKNSA-N 483.573 2.071 30 10 JEEE CCN(CC)C(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)O)CC1 1766581208 AZPPGOVPXULTGL-UHFFFAOYSA-N 455.563 2.083 30 10 JEEE COCC[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(Cc2cc(C)on2)CC1 1770976732 GSCHHLADTREZRB-XMMPIXPASA-N 465.558 2.223 30 10 JEEE C=CCNC(=O)C1=C(N)Oc2c(c(C)nn2CCC)[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1864891803 SPAVFXCXWNFNFZ-SFHVURJKSA-N 455.471 2.278 30 10 JEEE CC(C)C[C@@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 1869929462 HRIGMJNSKWWARJ-HXUWFJFHSA-N 498.605 2.213 30 10 JEEE CN1C(=O)c2ccc(-n3nnc(C#N)c3NC(=O)CCCCCNC(=O)c3ccccc3)cc2C1=O 1870157054 LNDMSDSUUNBIGE-UHFFFAOYSA-N 485.504 2.294 30 10 JEEE CN(C)Cc1cc(=O)c(OCc2ccc(C#N)cc2)cn1Cc1ccc(S(N)(=O)=O)cc1 1870349099 AASLNKMTIFWUJA-UHFFFAOYSA-N 452.536 2.056 30 10 JEEE C=CCn1cc(OCC(=O)Nc2cc(OC)ccc2OC)c(=O)cc1CN1CCC2(CC1)OCCO2 1870736862 TZARKPPWEFHXEV-UHFFFAOYSA-N 499.564 2.408 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)COc2nonc2C(=O)NCc2ccc(OC)cc2)nc1C 1872706917 VCQYWYMMJXFHFD-UHFFFAOYSA-N 487.494 2.133 30 10 JEEE CCN1CCN(CC#CCOC2CCN(C(=O)c3cc(Br)cnc3OC)CC2)CC1 1889422102 IKETXQZSPWLBCH-UHFFFAOYSA-N 479.419 2.115 30 10 JEEE Cc1cnc(N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2S(C)(=O)=O)c(B2OC(C)(C)C(C)(C)O2)c1 2241050687 ZLVSVCXMFODTIH-IRXDYDNUSA-N 481.424 2.134 30 10 JEEE CC(C)(C)OC(=O)NCCOCCCNC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2255633632 FAHNQZQYJRNHAZ-UHFFFAOYSA-N 455.386 2.104 30 10 JEEE CN(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)[C@H]1CC[C@H]1NC(=O)OCc1ccccc1 2255653041 CYRCESBRPUWBJR-MOPGFXCFSA-N 468.363 2.249 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1)C1(O)CCC1 2256664969 HRDYPXKILPBBFZ-ZDUSSCGKSA-N 453.370 2.189 30 10 JEEE CN(C(=O)OC(C)(C)C)C1(C(=O)NCc2ccc(B3OC(C)(C)C(C)(C)O3)s2)COC1 2256672237 DXBCHRCCNBENOG-UHFFFAOYSA-N 452.382 2.299 30 10 JEEE CC(C)(C)OC(=O)N[C@@]1(C)CC[C@]1(C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2261180406 WLGGMUHIYFKJJU-UXHICEINSA-N 452.386 2.281 30 10 JEEE CN1CCN(C(=O)OC(C)(C)C)C[C@H]1COc1nccc(B2OC(C)(C)C(C)(C)O2)c1F 2266002118 HKSAZMRIJXYBOE-HNNXBMFYSA-N 451.348 2.450 30 10 JEEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@@H]3COCCN3Cc3ccccc3)s2)OC1(C)C 2267377680 KDFSCGVRPPPPHP-GOSISDBHSA-N 478.445 2.227 30 10 JEEE C=C(CS(=O)(=O)N1CCO[C@H]2CCN(Cc3ccccc3)C[C@H]21)B1OC(C)(C)C(C)(C)O1 2267463469 APSSDCHVROXXHH-RTWAWAEBSA-N 462.421 2.479 30 10 JEEE COC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)Oc1ccc(N)c(B2OC(C)(C)C(C)(C)O2)c1 2267814347 AZBBWCUWZRGBJC-DYVFJYSZSA-N 450.341 2.402 30 10 JEEE C[C@@H](OCc1ccccc1)[C@@H](NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2269039741 VZISKPHRSYIUGZ-RDTXWAMCSA-N 481.401 2.384 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2269689739 DKXJPAPUTXQHPY-SUMWQHHRSA-N 452.332 2.015 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](NC(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)CC[C@H]2C1 2281924264 PSMUCFCUZSGLED-XHSDSOJGSA-N 460.384 2.474 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C[C@@H]1CC(F)F 2281978531 FEQMGTGUJOSBNQ-ZDUSSCGKSA-N 470.326 2.426 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H]3CC[C@@H]32)n1 2281991638 CUVIHBJQMSHUQD-DLBZAZTESA-N 460.384 2.426 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H]3CCN(Cc4ccccc4)C[C@H]3C2)n1 2282046832 QGZXNEMEIPOCHG-UXHICEINSA-N 450.392 2.313 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)N1C[C@@H](NC(=O)OC(C)(C)C)C[C@@H](O)C1 2282130845 PRGKYANLVBBQAA-ZWKOTPCHSA-N 460.380 2.394 30 10 JEEE Cn1cc(C(=O)N2C[C@H]3C[C@@H](CN(Cc4ccccc4)C3)C2)nc1B1OC(C)(C)C(C)(C)O1 2282543074 NAZRUEARIQICFI-PMACEKPBSA-N 450.392 2.313 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CC[C@H](OCCNC(=O)OC(C)(C)C)C1 2282684068 LXUQZMSBBILTTQ-KRWDZBQOSA-N 463.384 2.080 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CCN2S(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2282837342 DDULEMJPFUNNPC-GDBMZVCRSA-N 499.464 2.213 30 10 JEEE C[C@H]1CN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)CC[C@H]1NC(=O)C(F)(F)F 2282878747 KIHSAANGBQSWBG-GXTWGEPZSA-N 496.382 2.266 30 10 JEEE COc1ccc([C@H]2C(=C(O)c3cnc(C)nc3C)C(=O)C(=O)N2CCCN(C)C)cc1OC 2296624467 ATEXPXQPPZIGNR-NRFANRHFSA-N 454.527 2.484 30 10 JEEE CCCN(CCC)C(=O)COc1ccc(C=Nn2c(CC)nnc2SCC(N)=O)cc1OC 2320974629 LZVZWTWARBXMIA-UHFFFAOYSA-N 476.603 2.336 30 10 JEEE Cc1scc(C(=O)N2C[C@H](O)C[C@@H](NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2343504467 LUFDYNGULRNQHZ-HUUCEWRRSA-N 466.409 2.456 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCc1ccc(NC(=O)C(F)(F)F)cc1 2362448012 DESSROHOMRXZJL-UHFFFAOYSA-N 452.242 2.150 30 10 JEEE CC(C)(C)OC(=O)N[C@@]12CC[C@@](CNC(=O)c3cnsc3B3OC(C)(C)C(C)(C)O3)(C1)OC2 2362567791 SSDWATBETWRFCT-VXKWHMMOSA-N 479.408 2.389 30 10 JEEE COc1ccc(NC(=O)CSc2nnc(N/N=C/c3ccccc3[N+](=O)[O-])n2N)cc1OC 59884730 BBINPMXPKRNVGN-UFFVCSGVSA-N 472.487 2.094 30 10 JEEE CCOC(=O)c1ccc(/N=C2\S/C(=C\C(=O)OC)C(=O)N2CCCN2CCOCC2)cc1 101661733 DQTLHBLRTAKXRH-QXDJQFIDSA-N 461.540 2.205 30 10 JEEE Cc1cc(C)c(C#N)c(SC2=C(N3CCN(CCO)CC3)C(=O)N(c3ccc(F)cc3F)C2=O)n1 526696697 LDRNFGMRXWUOEV-UHFFFAOYSA-N 499.543 2.335 30 10 JEEE CC(=O)Nc1cccc(-n2c(=C(C#N)C(=O)NCC(C)C)sc(=Cc3ccccc3)c2=O)c1 603495350 DWKOJHKPRMKWGO-UHFFFAOYSA-N 460.559 2.133 30 10 JEEE Cc1occc1C(=O)NC1CCN(C(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 727403089 VVVJJLNNXCBUHF-HXUWFJFHSA-N 486.594 2.462 30 10 JEEE CCOCCCn1c(=C(C#N)C(=O)Nc2ccccc2)sc(=Cc2cnn3ccccc23)c1=O 729669687 AGXBIGXDIKYORZ-UHFFFAOYSA-N 473.558 2.126 30 10 JEEE Cc1ccc(S(=O)(=O)N[C@H](C(=O)O[C@@H](C)C(=O)N(CCC#N)c2ccccc2)[C@@H](C)O)cc1C 777300157 LLZJRINUUKALNR-DXIQSLLYSA-N 487.578 2.210 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2CCCn2ccnn2)c1 1286311342 MKAIBXOOORKLST-UHFFFAOYSA-N 455.526 2.002 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccoc1)[C@H]1CCS(=O)(=O)C1 1286382641 JWTPUDBICVYOBY-HNNXBMFYSA-N 464.345 2.304 30 10 JEEE C#CCN(c1nnc(CC2CCCC2)n1C[C@@H]1CSCCS1)[C@H]1CCS(=O)(=O)C1 1286390899 FRIDZYRWFWMTME-ZWKOTPCHSA-N 454.687 2.486 30 10 JEEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1CC1(N2CCSCC2)CCCC1 1286402321 YKLLIAOSTWBNTF-XMMPIXPASA-N 457.644 2.365 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2CC2([S@@](C)=O)CC2)CC1 1286474126 BEAUCQLURXHJRJ-SSEXGKCCSA-N 492.443 2.383 30 10 JEEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1286505004 UJAAKICMKDBTFU-UHFFFAOYSA-N 488.511 2.395 30 10 JEEE C=C(C)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1286597631 WXKMIYKFMNVRED-UHFFFAOYSA-N 458.950 2.014 30 10 JEEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1286604926 YIONTURJDPZFBB-QFIPXVFZSA-N 473.965 2.401 30 10 JEEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1286619867 DWXGXQFITKVYRT-HUUCEWRRSA-N 477.031 2.477 30 10 JEEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 1286711846 UOGJEVSYPUMHBY-GOSISDBHSA-N 454.531 2.342 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCN(C)C(=O)[C@@H]1C 1286792276 SUXCBDIUSYOPPO-ZDUSSCGKSA-N 467.357 2.133 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H](C)N2CCOCC2)C1 1286798936 PRDCFHIVQVXMOY-RXVVDRJESA-N 489.020 2.364 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H](C(C)C)C1 1286815088 KXFRXEYOKVQUPV-IBGZPJMESA-N 495.671 2.279 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H](CCOC)C1 1286815565 XBKYONTWYIUVSI-AWEZNQCLSA-N 472.409 2.499 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 1286821772 APEREGQPKSIINE-GOSISDBHSA-N 490.630 2.310 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCN(C(=O)c3ccc(F)cc3)CC2)nnc1C(C)(C)C 1286825733 WEGFWFRXWODTJS-UHFFFAOYSA-N 463.579 2.278 30 10 JEEE CC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCOC(C)(C)C2)C1 1286906375 HSFKPTAKRFQPGE-OAQYLSRUSA-N 451.575 2.032 30 10 JEEE Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 1290791819 CDFIMQNZOQSYAG-AWEZNQCLSA-N 454.512 2.401 30 10 JEEE CO[C@]1(C)CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCN(C(C)=O)CC2)CC1 1299771611 ANBXEALKXBYVOT-AREMUKBSSA-N 495.628 2.288 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCN(C)[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1300488905 HWIODPXAJNNRPM-UYAOXDASSA-N 459.616 2.311 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1C[C@]1(OC)CCOC1)[C@H]1CCS(=O)(=O)C1 1300490060 YRLNIPRVRBBAAQ-HTAPYJJXSA-N 495.001 2.039 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@H]1CCCS(=O)(=O)C1 1300574638 DYDPNPCGYKJXNP-FQEVSTJZSA-N 462.579 2.419 30 10 JEEE C#CCN1CCN(c2nnc(CSc3ccc(C)cc3)n2CC2CCS(=O)(=O)CC2)CC1 1300709657 AKLYABYGMOHSGW-UHFFFAOYSA-N 473.668 2.459 30 10 JEEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1300754091 HZLXEOCFEOPFAL-SFTDATJTSA-N 481.670 2.333 30 10 JEEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 1300928859 OCFLSFNXOIDXRH-HZPDHXFCSA-N 456.613 2.206 30 10 JEEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1300973178 VVYSBBOUHLYFRW-UHFFFAOYSA-N 461.655 2.004 30 10 JEEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1301187767 BSOBOVKXAXOBIN-QGZVFWFLSA-N 488.614 2.078 30 10 JEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1nc(O)c2ccccc2n1 1301258116 LNEOQROWGFLCJL-INIZCTEOSA-N 472.571 2.058 30 10 JEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1oc2ccccc2c1OC 1301297662 SJZLWOFPCFLBLF-GOSISDBHSA-N 461.544 2.036 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(CS(C)(=O)=O)CC1 1301362404 DLLJOCMANGZOQU-MRXNPFEDSA-N 484.669 2.259 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c(C)nnc1N1CCN(c2nccn3cnnc23)[C@H](C)C1)C(C)C 1301366772 IIQINMCBUAULBR-CTNGQTDRSA-N 464.622 2.438 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1)C(C)C 1301368279 ZWWAPSLQUFKRSE-GBXCKJPGSA-N 468.606 2.408 30 10 JEEE C=CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2[C@@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1301445296 DKFHJLUPOSSGJY-QYZOEREBSA-N 484.582 2.129 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCC(N2CCCCC2=O)CC1 1301507125 XLDKLRWXLAHSOL-UHFFFAOYSA-N 466.586 2.161 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1301515394 UOSMHAVWJQAWBR-UHFFFAOYSA-N 496.543 2.471 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC(C(=O)Nc3ccccc3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1301518925 KXQDSDQTVGQYRB-SANMLTNESA-N 496.612 2.476 30 10 JEEE COCCN1C[C@@H](Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)C[C@H](C)C#N)CC1=O 1301859881 FTKSSKVSHRSRKO-KGLIPLIRSA-N 464.368 2.126 30 10 JEEE CCn1nc(-c2nnc(N(C)[C@@H](C)CC#N)n2C[C@H]2CCCCS2(=O)=O)c2ccccc2c1=O 1313958608 DAYKLDXZLNYRKG-DLBZAZTESA-N 483.598 2.381 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1CCNC(=O)c1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1358957663 YAWSJZNCBRDIMW-UYAOXDASSA-N 457.600 2.157 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H](C)c1ncc(C)s1)[C@@H]1CCS(=O)(=O)C1 1358965423 VAQRLLLAYUCJSY-VQIMIIECSA-N 470.624 2.459 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@]1(O)CCO[C@H]1C 1359021574 TZCXHLPEEVOJNI-YCRPNKLZSA-N 479.375 2.342 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCCN2CCOCC2)CC1 1359031272 WFTDJBVTRBXTFO-UHFFFAOYSA-N 460.529 2.024 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCC2(O)CCOCC2)CC1 1359045701 QLPNBCRCMLOAFT-UHFFFAOYSA-N 486.016 2.420 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@H](N2CCCC2=O)C1 1359295694 LDVKJGCGRDICQN-INIZCTEOSA-N 458.950 2.110 30 10 JEEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@@H](OCC(C)C)C1 1359300685 IMJWWVCWZWLSOY-HXUWFJFHSA-N 468.606 2.006 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCC(NC(C)C)CC1 1359333672 GGKBGNVISGDGOF-UHFFFAOYSA-N 471.631 2.084 30 10 JEEE C[C@H](CC#N)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCN1CCOC(C)(C)C1 1360473962 DPKFDSVDJUDPJB-MRXNPFEDSA-N 450.547 2.443 30 10 JEEE C#CCn1ccc(CN(CCOC)C(=O)Nc2nn(C)c(C)c2CNC(=O)OC(C)(C)C)n1 1476814528 XSDNQGWOSQZGTF-UHFFFAOYSA-N 459.551 2.263 30 10 JEEE Cc1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1CCN1CCN(C)C(C)(C)C1 1492901241 HTMWFNBTNABBOE-UHFFFAOYSA-N 457.026 2.464 30 10 JEEE C[C@@H]1CC[C@@H](C)N1CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCS(C)(=O)=O)CC1 1493436442 FHYUGHIKSHBZAX-NHCUHLMSSA-N 499.685 2.246 30 10 JEEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1507596321 GMESRAILPKTXFF-IRXDYDNUSA-N 457.497 2.310 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCN1CCC(O)CC1 1507650833 VGUDWWHKQSQHDM-NRFANRHFSA-N 484.645 2.312 30 10 JEEE C#CCSCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCO[C@H](CNC(C)=O)C1 1507744546 NBNSEOQPQGJEPX-LJQANCHMSA-N 465.583 2.043 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CCN1CCOCC1 1507795288 HPMWOMKMIVRHJO-UNMCSNQZSA-N 489.642 2.098 30 10 JEEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 1507853066 GMIJLDXDKKXGQP-HUUCEWRRSA-N 477.031 2.382 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2nccs2)C1 1507915620 DNZWADFHYNJNGS-SJORKVTESA-N 496.659 2.248 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1(O)CCS(=O)(=O)CC1 1508021699 UCSLMLMIHPGWEY-QZTJIDSGSA-N 452.621 2.315 30 10 JEEE CC(C)CO[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCS(=O)(=O)C2)C1 1509468799 GBGDBYYIKQPQGO-CTNGQTDRSA-N 473.599 2.415 30 10 JEEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(C(N)=O)CCOCC2)C[C@H](C(F)(F)F)O1 1512418764 GNXBBHSBOPZZES-RHSMWYFYSA-N 478.475 2.255 30 10 JEEE CCO[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CC(=O)N(CCOC)C2)C1 1516405620 GPBWRJMOIYHBJW-FPOVZHCZSA-N 452.559 2.317 30 10 JEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)CCS(=O)(=O)c2ccc(C)cc2)c1 1535253317 RVMIZJGHWXTHAR-UHFFFAOYSA-N 454.548 2.032 30 10 JEEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1539089113 IFWUQVQYQDRWKO-UHFFFAOYSA-N 458.592 2.317 30 10 JEEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1C[C@@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1539230464 MSBBNGUWYCSNQZ-WOJBJXKFSA-N 459.616 2.051 30 10 JEEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1CCN(C(=O)OC(C)(C)C)C1CC1 1539238155 QWRMZISPDZHBJB-DEOSSOPVSA-N 457.575 2.403 30 10 JEEE C#CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC[C@@H]1CCOC1 1539401292 ZJVUQKNHRBKKTC-GOSISDBHSA-N 460.604 2.059 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2cc(COC(C)(C)C)on2)CC1 1539431544 VFNZTZBDNYJQTL-XMMPIXPASA-N 472.590 2.037 30 10 JEEE C#CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CCN(c2cnccn2)CC1 1539527138 VDSKRXRHVMDXJB-UHFFFAOYSA-N 465.583 2.349 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1539645479 OJXLJUNRTFIKGU-SXLOBPIMSA-N 467.636 2.361 30 10 JEEE C=C(C)Cn1c(N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)nnc1[C@@]1(OCC)CCOC1 1539723750 ZTCMCXGAUHEPPE-XMMPIXPASA-N 472.565 2.406 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1 1539743997 BKEKEOUPAFLCOE-IBGZPJMESA-N 472.977 2.438 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)NC(C)C)n1C[C@H]1CCCCS1(=O)=O 1540121788 WXDXNMMACVENSR-HXUWFJFHSA-N 470.599 2.448 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCS[C@@H](CC)C1 1540898678 QZHNTYHLRHYSHS-KRWDZBQOSA-N 484.669 2.281 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCN(C)C(=O)[C@H]1C 1540899117 DNRYBLFZRZRRBH-GOSISDBHSA-N 499.593 2.385 30 10 JEEE CCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCS(=O)(=O)Cc1ccccc1 1546528927 ICBUCTLVTFOSFV-UHFFFAOYSA-N 465.583 2.049 30 10 JEEE C#CCCCCn1c(C2CCC2)nnc1N1C[C@@H]2[C@H](C1)[C@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1587759541 WOFQOBDTILYKII-GUDVDZBRSA-N 477.631 2.476 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@H](C1CCCCC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1588045996 VJWWZDLUNDBFCO-RBBKRZOGSA-N 472.659 2.421 30 10 JEEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1Cc1cc(C)nn1C)[C@@H]1CCS(=O)(=O)C1 1588069518 PRMBXLBDCAFKGU-HXUWFJFHSA-N 482.610 2.191 30 10 JEEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2CCCNC(=O)C(C)C)CC1 1588865345 UWWRESSAIWRGCY-UHFFFAOYSA-N 452.603 2.391 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@H](c2cccc(OC)c2)N(C)C)CC1 1588968062 GOIWHMQQPDUFBJ-DHIUTWEWSA-N 480.613 2.407 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@@H](CCC)C1 1595465870 ANRCTBAQIBFXEZ-SFHVURJKSA-N 460.966 2.169 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1595773194 TXQBFAPSQSMBJX-NRFANRHFSA-N 482.006 2.369 30 10 JEEE CC(C)(Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1)c1ccccc1F 1597772600 FNRMTLDYVMNQAR-GCJKJVERSA-N 494.568 2.170 30 10 JEEE CCOCc1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@@]1(N(C)C)CCSC1 1616915873 GNRZUKAYHWZYSF-QHCPKHFHSA-N 455.632 2.450 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(C2CCC2)n1CCN1CCCS1(=O)=O 1619899656 DTRIEKZHJDNTPR-UHFFFAOYSA-N 458.588 2.106 30 10 JEEE CSC1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@@H](CNC(C)=O)C2)CCOCC1 1620220089 GHEICGYYCNIRIF-FQEVSTJZSA-N 470.599 2.070 30 10 JEEE C#C[C@H](NC(=O)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1)C1CCOCC1 1682887874 PKNALDSZMNTHDX-IBGZPJMESA-N 455.946 2.146 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(N2CCOCC2)c(F)c1 1689830471 AICWRIDRZVBTKM-MHECFPHRSA-N 457.550 2.412 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1CC(C)(C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 1689985806 BZMLKLXIBKERDT-FQEVSTJZSA-N 456.616 2.089 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC1(CCOCC)CCC1)[C@H]1CCS(=O)(=O)C1 1689991191 XXNKDOMMLRMVQP-UXHICEINSA-N 464.632 2.396 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H](C)COC)CC1 1690140370 WYUQEYLNXOBCSI-KRWDZBQOSA-N 455.559 2.211 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H]2CN(CC(C)C)CCO2)CC1 1690148526 KBLYIMOBMRPLAW-XMMPIXPASA-N 496.631 2.331 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(OC)cc3)n2Cc2cnccc2OC)CC1 1690152531 OENMNHHPMLDPCN-UHFFFAOYSA-N 490.564 2.283 30 10 JEEE C=CCCCCn1c([C@H]2CCCO2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1690469710 ZBLIWPPBBKLFME-HXUWFJFHSA-N 458.607 2.426 30 10 JEEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCC(C(=O)NCCC)CC1 1690667661 CLHOUCBBGONYCY-UHFFFAOYSA-N 463.586 2.482 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1690676104 PYJOPDRHVRZUAG-CYFREDJKSA-N 455.559 2.160 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(CCN2[C@@H](C)CC[C@H]2C)CC1 1690724116 IJQXTVJYCSVLOP-BHIFYINESA-N 494.706 2.115 30 10 JEEE CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCO[C@H]2C(C)C)CCO1 1690957300 GBNAKXKZUHERLT-VSKRKVRLSA-N 452.559 2.219 30 10 JEEE CC(C)C(=O)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCN2CCCO)CC1 1691408006 HRDSKNJHYXGADY-HSZRJFAPSA-N 479.629 2.358 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](C)c2nccs2)c1 1705507065 QRJXWSVRAXOGOY-AEFFLSMTSA-N 498.634 2.497 30 10 JEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2ccc(F)cc2)C1 1705516569 DZWXARJCMNZCRQ-NHCUHLMSSA-N 491.589 2.132 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CC1(OC)CCCCC1)[C@H]1CCS(=O)(=O)C1 1705558676 DYSYHZKXRIKXSL-IBGZPJMESA-N 479.647 2.173 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1CCSCC=C)[C@@H]1CCS(=O)(=O)C1 1705562589 GBPBNFYPNJIMHR-GOSISDBHSA-N 474.608 2.262 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1ccc(C)cc1OC)[C@@H]1CCS(=O)(=O)C1 1705563578 AFCXKMISYCTERY-HXUWFJFHSA-N 451.552 2.332 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1705568339 LKPVNDPRRDZTRR-NRFANRHFSA-N 470.574 2.148 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@]1(O)CCN(C)C1 1705593474 RGJFOZFFRVNKBR-QFIPXVFZSA-N 472.387 2.246 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CCc1ccc(Br)s1 1705627450 HEPIKSHVBVWQQR-CQSZACIVSA-N 452.378 2.382 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CC(F)(F)c2ccccc2)CC1 1705644052 GFLMBXIXJJYFMW-UHFFFAOYSA-N 458.513 2.174 30 10 JEEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 1705721209 PSXBCVFAVJYXQJ-CVEARBPZSA-N 456.613 2.300 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1705786092 GBPKUYLXKTTWOW-MRXNPFEDSA-N 454.641 2.185 30 10 JEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(N(CC)C(=O)OC(C)(C)C)CC1 1705890838 LKRWBWODKHOSAG-GOSISDBHSA-N 498.650 2.023 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N(C)CCCC(=O)NC 1705896527 PMGACFBQFBERBT-UHFFFAOYSA-N 455.382 2.034 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](c2ccc(CC)cc2)C1 1705908495 CQUZHXUVLWMXLB-XJUOHMSHSA-N 469.586 2.445 30 10 JEEE C=CCOc1ccccc1Cn1c(CN2CCCC2=O)nnc1N1CCC(S(=O)(=O)CC)CC1 1705913470 OWTICACRCSFKOX-UHFFFAOYSA-N 487.626 2.417 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2CCS(=O)(=O)CC=C)C1 1705917583 WCUNZNXYOFJQFJ-INIZCTEOSA-N 484.420 2.428 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCC(Cn2ccnn2)CC1 1705935290 MRYYDDIECFMXTC-UHFFFAOYSA-N 473.578 2.117 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCO[C@@H](c3cccc(F)c3)C2)nnc1[C@@]1(OCC)CCOC1 1705938567 CLZPEGVNXNZBAY-NFBKMPQASA-N 494.589 2.248 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cccc(C(=O)N(C)C)c1 1722292259 INJCGTHXFMVETM-KRWDZBQOSA-N 479.610 2.446 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2CC2CCN(CCN(C)C)CC2)c1 1722308502 BNYPFRCECXUUKO-QHCPKHFHSA-N 493.656 2.112 30 10 JEEE C#CCN(c1nnc(-c2cc(C)nc3ccccc23)n1CCCOC)[C@@H]1CCS(=O)(=O)C1 1722362739 BVZJYEHJMZQPRM-GOSISDBHSA-N 453.568 2.465 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1c(CC)nn(C)c1CC)[C@H]1CCS(=O)(=O)C1 1722366695 JRCDOONDWBIWMB-KRWDZBQOSA-N 460.648 2.400 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCCN1CC)[C@H]1CCS(=O)(=O)C1 1722371889 MNIGMMCUEVGSQY-VXKWHMMOSA-N 496.637 2.230 30 10 JEEE C#CCN(CC)c1nnc(COc2ccc(C#N)cc2)n1Cc1ccc(N2CCOCC2)nc1 1722415421 MVJWYJQUKXUFEJ-UHFFFAOYSA-N 457.538 2.468 30 10 JEEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)CCc2ccc(OC)cc2)CC1 1722523157 DEYPHEVMSAJJBN-HXUWFJFHSA-N 487.626 2.046 30 10 JEEE C=C(Cl)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1722549869 BSXNYBGHMFOHCV-MRXNPFEDSA-N 455.950 2.249 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCCN(C(=O)C2CC2)CC1 1722688525 FAAWYTBAGSCYLH-QGZVFWFLSA-N 470.549 2.308 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCNC(=O)c1ccc(C)cc1 1740547168 PSFYAFFYDIQVRL-GOSISDBHSA-N 479.610 2.435 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2Cc2conc2COC)c1 1740561720 BCSFAILOJHKFAA-GOSISDBHSA-N 464.526 2.411 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@@H]1CCO[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1740619413 OFECONNRRUFJQH-NSHGMRRFSA-N 458.584 2.396 30 10 JEEE C#CCN(c1nnc(CCCc2ccccc2)n1CCN1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 1740624875 MINCCJWROPJHNE-HSZRJFAPSA-N 467.639 2.342 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2CCn2cc(Br)cn2)CC1 1740693824 OCPLKDYKIOWQLW-UHFFFAOYSA-N 470.375 2.368 30 10 JEEE C=C(Br)Cn1c(CC(C)C)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1740745253 PZGXIUKXFONUMH-CRAIPNDOSA-N 453.429 2.374 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1740759324 IOYMWVXCYGNBII-OFNKIYASSA-N 488.658 2.495 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1740760079 GOQKZLFQKZIKCA-DFGXFYAUSA-N 456.513 2.283 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC(C)(C)C 1740760681 KJHZVBXMBCMEOT-SQNIBIBYSA-N 455.625 2.075 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1740765297 TXMQACOKORDXBL-TUNNFDKTSA-N 460.623 2.101 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(-n2ccnc2C)nc1 1740767071 PCIVMFLPOGWXOL-MRXNPFEDSA-N 458.592 2.228 30 10 JEEE C=CCCOCCn1c(-c2ccccc2C)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1740882867 AWMCCXBYMWFEGJ-NRFANRHFSA-N 489.642 2.477 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1740915398 FJNGMWBOLVUYJU-LJQANCHMSA-N 485.614 2.161 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](C(F)F)C1 1740960578 VJRHJHIIKNQCFF-CVEARBPZSA-N 484.548 2.370 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)nnc1[C@@]1(OCC)CCOC1 1740964685 GROLXJVTCDKHNM-MHECFPHRSA-N 492.621 2.068 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1740973645 BBYGTHGHYMQMPY-FUHWJXTLSA-N 492.598 2.187 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1740993067 YAWXQODPLQBIHL-RTBURBONSA-N 451.637 2.084 30 10 JEEE C=CCSCCn1c(-c2cccnc2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1740999294 CYJFRGHHJXIXLE-UHFFFAOYSA-N 450.572 2.080 30 10 JEEE CN(Cc1cnn(C)c1)c1nnc(COc2ccc(C#N)cc2)n1CC(C)(C)N1CCOCC1 1747770980 ASNMYXRWDRYDOY-UHFFFAOYSA-N 464.574 2.209 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1(S(C)(=O)=O)CCCC1 1748647591 QGYYDQVROJJUNV-MRXNPFEDSA-N 492.671 2.362 30 10 JEEE C#CCCCCn1c(N2CCN(c3nccnc3C#N)C[C@@H]2C)nnc1[C@]1(OCC)CCOC1 1748731190 WUTGXGZQWVBGIR-CYFREDJKSA-N 464.574 2.110 30 10 JEEE C#CCN(c1nnc(C2CCCC2)n1Cc1c(CC)nn(C)c1CC)[C@H]1CCS(=O)(=O)C1 1748816010 VOGJYADBUMFEDP-SFHVURJKSA-N 458.632 2.469 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CC(C)(C)CN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1748819137 LHRRNNPLOXJQBT-OAQYLSRUSA-N 470.643 2.013 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C(=O)N2CCCCC2)cc1 1748892307 NKYVFTZMSFJOBY-HSZRJFAPSA-N 493.633 2.318 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CC(=O)Nc2c(C)cccc2C)CC1 1749008989 DYKSXALMMPRDDK-NRFANRHFSA-N 478.597 2.393 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2Cc2cccc(OCCN(C)C)c2)CC1 1749010865 RGKZHGHRJRUFTM-UHFFFAOYSA-N 489.624 2.238 30 10 JEEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1749086447 LKGPMJAUGIFYRA-IRXDYDNUSA-N 485.427 2.493 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN(c2cc(C)nc(C(C)C)n2)CC1 1749729184 DBQXINWSNRVKSD-UHFFFAOYSA-N 496.641 2.489 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(C(=O)OCC)CC1 1749730889 UPCIPCHGQGWULD-UHFFFAOYSA-N 486.598 2.316 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1749738545 PEXBOEVTQKQLQW-JOCHJYFZSA-N 478.707 2.216 30 10 JEEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1749754031 FBOKYNBLHIKGGZ-KRWDZBQOSA-N 450.609 2.453 30 10 JEEE CC(C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1750569036 HUPDPQRSPOTJRZ-UHFFFAOYSA-N 466.590 2.219 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CCNC(=O)c1cc[nH]n1 1760104900 IZNPONHXOUCIRW-ZDUSSCGKSA-N 472.347 2.327 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCn1ccc2ccccc21 1760118074 XRVPKXVMIOLYOQ-NQIIRXRSSA-N 470.599 2.114 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1coc(-c2ccc(C)cc2)n1)[C@@H]1CCS(=O)(=O)C1 1760182155 HJROYTQVWASUKV-HXUWFJFHSA-N 496.593 2.055 30 10 JEEE C#CCN(c1nnc(C2CCCC2)n1CCCN1CCCCCC1=O)[C@@H]1CCS(=O)(=O)C1 1760187088 HRNQQIAYNICZRQ-HXUWFJFHSA-N 461.632 2.355 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CC1=CCCOC1)[C@@H]1CCS(=O)(=O)C1 1760191907 OLRWEMSMBIJRJB-HXUWFJFHSA-N 456.568 2.139 30 10 JEEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CCCS(=O)(=O)Cc1ccccc1 1760201878 LTMOVADVCGMBMC-UHFFFAOYSA-N 479.562 2.084 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CC(C)C)n1 1760252301 MXTKCIDZJRGOKD-UHFFFAOYSA-N 474.569 2.331 30 10 JEEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCc2nc(C(C)(C)C)cs2)CC1 1760261341 PHOVEIFAZCPHSU-UHFFFAOYSA-N 455.632 2.152 30 10 JEEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CCN(CC)C(=O)OC(C)(C)C)CC1 1760261969 FMUQSUGNEMWOEH-UHFFFAOYSA-N 453.591 2.276 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2Cc2nncn2CC)CC1 1760265797 JMQGPUVKOCFDIP-QGZVFWFLSA-N 480.548 2.183 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCS(=O)(=O)c2ccccc2)CC1 1760402332 KHKZGPBUAXWSFG-SFHVURJKSA-N 464.613 2.057 30 10 JEEE C=CCN(CC=C)c1nnc(C(=O)N2CCCC2)n1CC(=O)N1CCN(c2ccccc2)CC1 1760489035 BBWYPOOFJQTXAQ-UHFFFAOYSA-N 463.586 2.041 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1760518277 OKHLQMUVDJSISX-SRGWNRLKSA-N 471.558 2.037 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(-n3nc(C)cc3C)nc2)C1 1760533358 DYEKDBLFLLOXLA-HXUWFJFHSA-N 464.574 2.443 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CCNC(=O)c2ccc(C)c(F)c2)C1 1760550384 XOLSBOVECWLYFT-LJQANCHMSA-N 470.549 2.059 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@H](C(F)(F)F)C1 1760553726 YTJZMZOSXIHTNS-INIZCTEOSA-N 474.461 2.042 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1-c1cnn(C)c1 1761362394 BVVPBZBJQBZDMH-WMZOPIPTSA-N 453.572 2.367 30 10 JEEE CCn1nc(-c2nnc(N(C)[C@H](C)CC#N)n2C[C@@H](C)N2CCOCC2)c2ccccc2c1=O 1767158833 ABZUIOVSBRZDSO-QZTJIDSGSA-N 464.574 2.134 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@H]2c2ccc(OC)c(OC)c2)cc1 1862695997 LSLRPBQCVXAYJZ-NRFANRHFSA-N 454.479 2.427 30 10 JEEE CN(C)CCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1862741823 BHBQJQPECBFOKJ-HXUWFJFHSA-N 498.448 2.414 30 10 JEEE Cc1ccc([C@H](C#N)NC(=O)[C@@H](C)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1 1867782101 OUOCGERSIUHJQB-APWZRJJASA-N 451.483 2.239 30 10 JEEE C=CCN(CC=C)c1nc(=NCCCCN2CCCC2)nc(Nc2ccc(S(N)(=O)=O)cc2)[nH]1 1871509556 UEZNHSKRQVHFIS-UHFFFAOYSA-N 486.646 2.151 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)COc2nonc2CC(=O)Nc2cccc(OC)c2)nc1C 1872665328 UXADDMWYXIADOM-UHFFFAOYSA-N 487.494 2.385 30 10 JEEE COC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)(C)C)C2)n1/N=C/c1cccc([N+](=O)[O-])c1 1874277833 DFEKDGIHMVYUPK-YVJZOELXSA-N 460.516 2.448 30 10 JEEE Cc1nnc(N2CC(NC(=O)[C@@H]3SCC(=O)N(C(C)C)[C@@H]3c3ccc(C#N)cc3)C2)s1 1890387997 BXOAJSLICRHKOW-RTBURBONSA-N 456.597 2.117 30 10 JEEE COc1cccc(-n2nnc3c(N4CCN(C(=O)c5ccc(C)c(C#N)c5)CC4)ncnc32)c1 1891147403 INGUBBHCRQTLBQ-UHFFFAOYSA-N 454.494 2.362 30 10 JEEE CC(C)(C)OC(=O)NCC1CCN(CC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)CC1 2124680510 HAAQGTCZWPGHME-JOCHJYFZSA-N 455.603 2.460 30 10 JEEE C[C@H](NS(=O)(=O)N1CC(OCc2ccccc2)C1)c1nscc1B1OC(C)(C)C(C)(C)O1 2130086802 QRQIAHFLYOUQHB-HNNXBMFYSA-N 479.433 2.239 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)[C@@H](O)C1 2255608953 CECAXPBRVXKOAV-GJZGRUSLSA-N 452.382 2.147 30 10 JEEE Cc1cc(C(=O)NCC2(O)CN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2255634013 KTWCGNVVXHDWOQ-UHFFFAOYSA-N 452.382 2.067 30 10 JEEE C[C@H](CCNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2255794834 BTGOZSKIGNHMAH-CYBMUJFWSA-N 475.442 2.165 30 10 JEEE C=C(CS(=O)(=O)N1C[C@@H](OC)C[C@H]1CNC(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2255955149 JJHUIANSOLBDHD-HOTGVXAUSA-N 460.402 2.118 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCN(S(=O)(=O)Cc2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2267464055 FLLCAATYJOVFMW-KRWDZBQOSA-N 466.409 2.415 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]1NS(=O)(=O)c1c(F)cc(F)cc1B1OC(C)(C)C(C)(C)O1 2267472686 UFWBFUHHOMGPEM-GJZGRUSLSA-N 474.335 2.208 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2cccc(Cl)c2B2OC(C)(C)C(C)(C)O2)[C@H](O)C1 2267915038 RYWONUHPJCJXGN-JKSUJKDBSA-N 466.771 2.349 30 10 JEEE COC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)Oc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2269019387 FEXCZACTBZXLFV-DOMZBBRYSA-N 454.304 2.354 30 10 JEEE CC(C)(C)OC(=O)NC[C@H](O)CC(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2269699972 PGNTVCGYZYTMJN-MRXNPFEDSA-N 452.332 2.017 30 10 JEEE CO[C@H]1[C@H](COc2cccc(B3OC(C)(C)C(C)(C)O3)n2)N(C(=O)OC(C)(C)C)C[C@H]1OC 2281465623 QBDNVFFMQOKAEF-FCEWJHQRSA-N 464.368 2.409 30 10 JEEE Cn1ncc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC(F)(F)C2)c1B1OC(C)(C)C(C)(C)O1 2281829886 FFUBHPVGDFZALW-UHFFFAOYSA-N 470.326 2.048 30 10 JEEE Cc1nn(C)c(C(=O)NC2CC3(C2)C[C@H]3NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2281982004 KKLPFMYXQJDKAK-UVOCGCJZSA-N 460.384 2.203 30 10 JEEE Cc1nn(C)c(C(=O)NC[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2281987334 XVRSPYMUJVDJBS-QHCPKHFHSA-N 462.400 2.405 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(C(=O)OC(C)(C)C)CC[C@@H]1C 2282004616 KSJGIAQQMNFMCQ-HNNXBMFYSA-N 462.400 2.499 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)[C@H]2COC[C@@H]21 2282186306 SGHHPDOBQGBMFJ-OALUTQOASA-N 458.364 2.446 30 10 JEEE CC(C)(C)OC(=O)NC[C@@](C)(NS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1)C1CC1 2282352508 PDFZUCOHAXAWPQ-JOCHJYFZSA-N 481.424 2.353 30 10 JEEE Cn1nc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC3(CC3)C2)cc1B1OC(C)(C)C(C)(C)O1 2282613942 FFMOKVPLBSJVNI-HNNXBMFYSA-N 460.384 2.239 30 10 JEEE Cn1nc(C(=O)N2C[C@@H]3CCC[C@]3(NC(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2282615777 RWDBGSBSFYARHE-WNSKOXEYSA-N 460.384 2.239 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CCCN2C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2282623832 HTPWBPWTWGYDPH-NVXWUHKLSA-N 458.368 2.247 30 10 JEEE CO[C@@H]1CN(C(=O)c2ncc(C)cc2B2OC(C)(C)C(C)(C)O2)C[C@H]1NC(=O)OC(C)(C)C 2282643702 DUWPRKDWYNJXRU-IAGOWNOFSA-N 461.368 2.053 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCO[C@H]2[C@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2282668758 JPJXVWZVMXEGPH-ZSYWTGECSA-N 458.364 2.396 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CC(F)(F)C1 2283070578 XUMBIQJQMBVNQV-CYBMUJFWSA-N 468.310 2.150 30 10 JEEE C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C1 2283954722 HESTWBHJOYWHOY-DNVCBOLYSA-N 460.380 2.145 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@@]1(C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2283970503 GLXYQMZLLCEJKV-IVZQSRNASA-N 465.331 2.388 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@H](CC(=O)N=c2ccc(Cl)c(B3OC(C)(C)C(C)(C)O3)[nH]2)C1 2283983699 NOWRNIZUOJTJIH-AWEZNQCLSA-N 481.786 2.421 30 10 JEEE CC(C)(C)OC(=O)N1CC(OCC(=O)NCc2cc(B3OC(C)(C)C(C)(C)O3)ccc2F)C1 2284051721 AFERDFUTLPSLTR-UHFFFAOYSA-N 464.343 2.377 30 10 JEEE CN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1)[C@H]1CN(C(=O)OC(C)(C)C)CC12CC2 2287007584 CGHBPRSTCDUVLF-INIZCTEOSA-N 460.384 2.191 30 10 JEEE O=C1C[C@@H](c2nnc(SCCO)n2N=Cc2ccc(O)cc2O)CN1Cc1ccccc1 2325925164 WQUQNTJLUOKPQI-QGZVFWFLSA-N 453.524 2.172 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 2362353053 IMOSJEOMNOKRMW-INIZCTEOSA-N 462.400 2.486 30 10 JEEE CC(C)(C)OC(=O)N1CCN(Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)[C@@H](CC(N)=O)C1 2369255571 MGQCRZAMLIDHCI-IBGZPJMESA-N 459.396 2.283 30 10 JEEE CCOc1cc(/C=N/Nc2nnc(SCC(=O)NCc3ccc(F)cc3)n2N)ccc1O 21326599 UMHUVHAZDZEZGE-BHGWPJFGSA-N 459.507 2.090 30 10 JEEE CCn1c(N2CCOCC2)c(/C=C2\SC(=S)N(CCCOC)C2=O)c(C)c(C#N)c1=O 33474222 QHTJYFJIYDZAIJ-ATVHPVEESA-N 462.597 2.123 30 10 JEEE C=CCn1c(=O)c2ccc(C(=O)NC(C)C)cc2n2c(=O)n(CC(=O)Nc3cc(C)cc(C)c3)nc12 64581530 QWJUESOLKOFAIU-UHFFFAOYSA-N 488.548 2.391 30 10 JEEE CCCOc1ccc([C@@H]2c3c(nc(N4CCC5(CC4)OCCO5)[nH]c3=O)NC(=O)[C@H]2C#N)cc1 72444230 DHVJRCCHGZLLMH-ROUUACIJSA-N 465.510 2.126 30 10 JEEE CC1(C)CC(=O)C2=C(C1)N(C1CCCC1)C(=O)[C@@]2(NS(=O)(=O)c1nnc(N)s1)C(F)(F)F 78397556 LDRQDFFSTXQLGR-QGZVFWFLSA-N 493.533 2.128 30 10 JEEE O=C(/C=C\c1ccco1)C1=C(O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccc([N+](=O)[O-])cc1 111831423 VIWHMVQBUHFBFY-GIWCCYDRSA-N 453.451 2.498 30 10 JEEE COC(=O)c1c(C)oc(NC(=O)[C@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2)c1C#N 170521515 HXPWJARTMZOLTE-HNNXBMFYSA-N 455.467 2.293 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)N3CCN(c4ccc(C(C)=O)cc4F)CC3)cc2C1=O 800716758 KWHCGOYTIKWNDJ-UHFFFAOYSA-N 493.491 2.316 30 10 JEEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)OCc1nnc(-c2ccccc2Br)o1 821703390 GGAOZXNFKXHJOU-UHFFFAOYSA-N 477.296 2.281 30 10 JEEE COc1ccc(NC(=O)CCSc2n[nH]c(NN=Cc3c(C)nn(CCO)c3C)n2)c(C)c1 1084227987 TWOUHXKSYDFIKQ-UHFFFAOYSA-N 472.575 2.494 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1CCC(=O)N[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1286391852 FCZRFVVZBVXNLZ-CTNGQTDRSA-N 471.627 2.109 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2COc3ccccc3O2)n1CCN1CCN(C)C(C)(C)C1 1286428795 WQYQULGQSQAVQW-QHCPKHFHSA-N 462.598 2.280 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2Cc2cccc(OCCN(C)C)c2)CC1 1286481248 AAFRBCYLVHVQGK-UHFFFAOYSA-N 459.598 2.008 30 10 JEEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1286606580 VCSFSIHIZURNTH-HDICACEKSA-N 460.579 2.144 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(c2nc(C)ns2)CC1 1286668517 SKOUWWNAXMSEIW-OAHLLOKOSA-N 482.680 2.367 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1286782946 IIUKAANLXMOZIR-NRFANRHFSA-N 473.375 2.035 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC(NC(=O)c2cc(C)oc2C)CC1 1286789860 YEHWUFWNNCKBDZ-UHFFFAOYSA-N 477.569 2.175 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1286817460 VQKARLJYRDYOCA-FQEVSTJZSA-N 472.615 2.149 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1300283083 RYZYVFBURLXOJR-KUHUBIRLSA-N 467.389 2.024 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(=O)NCC(F)F 1300302983 GUAXECDUTIWKQA-LSDHHAIUSA-N 454.522 2.232 30 10 JEEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 1300357935 CFRKJABEGRRLJZ-UHFFFAOYSA-N 464.549 2.382 30 10 JEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2Cl)CC1 1300383924 JUFGRKSQKXZEBN-INIZCTEOSA-N 450.996 2.282 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1300495660 JEBZJRKMJOYVJH-UXHICEINSA-N 458.584 2.050 30 10 JEEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1CCOC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1300504779 RXWJAACPTSYPJY-SFHVURJKSA-N 476.599 2.308 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 1300651010 YRQPMEBCYOCXEA-SFHVURJKSA-N 462.595 2.149 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2CCC(C(F)(F)F)CC2)CC1 1300700876 YLRZGTHMFFHNDR-ADKAHSJRSA-N 473.565 2.304 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCSc1ccccc1 1300805930 LKQZXHOSUDWMRJ-SIKLNZKXSA-N 475.640 2.395 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccn(C)n1 1301424299 IRVPHLAJFAPPFS-GOSISDBHSA-N 461.567 2.007 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N(C)Cc1ccc(C(=O)NC)cc1 1301575787 KMXWIXUHVSCCOV-UHFFFAOYSA-N 457.556 2.443 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1301579000 LNLLXHQJHUVPEE-UHFFFAOYSA-N 460.604 2.103 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN([C@@H](C)c2nc(C(C)C)no2)CC1 1301584997 GVRUDSARRUTSQJ-INIZCTEOSA-N 463.608 2.146 30 10 JEEE N#C[C@@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCc2ccccn2)CCO1 1303001479 AXHHKNAIEVUHSZ-LJQANCHMSA-N 451.918 2.228 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CC1(C)CC1 1303858821 GSELLFIKKRMWPT-OAHLLOKOSA-N 461.567 2.026 30 10 JEEE Cc1ccc(NC(=O)c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H]2CCS(=O)(=O)C2)cc1C 1304378308 BHLXPBQKASHFQH-KKSFZXQISA-N 460.535 2.024 30 10 JEEE C=CCO[C@@H]1CCN(S(=O)(=O)c2ccc(I)c(C(=O)OC)c2)C1 1309341248 AHZMAXGZBSJSCX-LLVKDONJSA-N 451.282 2.043 30 10 JEEE C#CCOCCNS(=O)(=O)c1[nH]c(C(=O)C(Cl)(Cl)Cl)cc1Br 1309342431 SOTVBVAQOLUXKD-UHFFFAOYSA-N 452.541 2.258 30 10 JEEE CN(C)[C@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](C#N)C1)c1cccs1 1314647735 DATHXBINCRMVSY-PKOBYXMFSA-N 486.623 2.442 30 10 JEEE CN(C)CC(C)(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@@](F)(C#N)C1 1314667247 FLGBSFRDVISJTB-OAQYLSRUSA-N 462.599 2.268 30 10 JEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCOCC1CCOCC1 1358949883 QEHKWQJKYUWDNV-FQEVSTJZSA-N 477.606 2.489 30 10 JEEE C#CCN(c1nnc(-c2sc(N3CCOCC3)nc2C)n1C/C=C\CC)[C@H]1CCS(=O)(=O)C1 1358957231 RIYKBICGFMZLJD-MJRGOJFPSA-N 490.655 2.140 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1CCCc1c[nH]nc1C)[C@@H]1CCS(=O)(=O)C1 1358959389 HVDQWTRCHAHIFB-LJQANCHMSA-N 498.609 2.253 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@@H](CC)OC)[C@@H]1CCS(=O)(=O)C1 1358964398 YMDBZPYDVXBLTF-HZPDHXFCSA-N 452.527 2.199 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1cccc(CN(C)CC)c1)[C@H]1CCS(=O)(=O)C1 1358965386 UIJKCNORXCWECI-DEOSSOPVSA-N 492.649 2.391 30 10 JEEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1CC1(CC)CC1)[C@@H]1CCS(=O)(=O)C1 1358966773 WPBHKPAIAGPGRT-MRXNPFEDSA-N 461.613 2.087 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2ccccc2)CC1 1359036134 NYSSCFYOMBOKCA-NRFANRHFSA-N 466.586 2.390 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCN(C)C(C)C)CC1 1359042047 PSYOLAWACXWKBA-UHFFFAOYSA-N 468.602 2.268 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC(Oc2c(OC)cccc2OC)CC1 1359307050 ZDBLWKSJGCDYNN-HXUWFJFHSA-N 471.558 2.497 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CCN(C(C)(C)C)CC1 1359333658 FWDAPJKOLFKNQU-UHFFFAOYSA-N 461.632 2.399 30 10 JEEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](C(F)F)C1 1359335083 ZQQQCXNIKRSRNN-CQSZACIVSA-N 473.571 2.352 30 10 JEEE COc1cc(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc(Cl)c1OCC(N)=O 1458879862 IFFCYOQKYNJHKB-KRWDZBQOSA-N 456.886 2.010 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1Cc1c(CC)nn(C)c1OC)[C@H]1CCS(=O)(=O)C1 1507628580 PIILYQVPKLFLFD-FQEVSTJZSA-N 496.637 2.487 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H](OC)c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1507630764 GZXZSHXHKUFSCD-RTWAWAEBSA-N 469.542 2.494 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1CCCc1ccnc(C(C)(C)C)n1)[C@@H]1CCS(=O)(=O)C1 1507632940 QWIZMRYZCUNWOT-AZUAARDMSA-N 486.642 2.129 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(OCC)c(OC)c2)n1CC1(S(C)(=O)=O)CC1 1507669454 XFDSEBNUPJOADX-UHFFFAOYSA-N 456.568 2.393 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)c(OC(F)F)c1 1507690033 ORKUIOPXHRNAEJ-OAHLLOKOSA-N 454.499 2.298 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCCO[C@H]1C(C)C 1507708118 HTXUHQQAEWMUFZ-IRLDBZIGSA-N 464.574 2.458 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H](c2ccccc2)N(C)C)CC1 1507736469 PUMDCVOPZLKBEG-HOFKKMOUSA-N 494.640 2.199 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccccc2OCCOC)CC1 1507739680 UALNBLUIQJQXQR-JOCHJYFZSA-N 481.597 2.211 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CCN1CCOCC1 1507795287 HPMWOMKMIVRHJO-RBBKRZOGSA-N 489.642 2.098 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CCOc2ccccc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1507805490 JREIWBCTFLFVGS-SXWKCWPCSA-N 489.642 2.351 30 10 JEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](C)N2CCc3ccccc3C2)CC1 1507880812 JYLHTQRSVPJQPE-RTBURBONSA-N 458.632 2.492 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCS(=O)(=O)C1 1507997755 XLEJCWZXJLHOTK-HXUWFJFHSA-N 491.577 2.424 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cnn(C)c1 1507997852 YSOSSANRHNWHKR-LJQANCHMSA-N 456.572 2.163 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)CCc1nccs1 1508075979 WQOAFIAEBZGYMI-UHFFFAOYSA-N 450.366 2.473 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(c2nc(CC)ns2)CC1 1508076007 CRNUIEIWBKWQLM-UHFFFAOYSA-N 477.598 2.250 30 10 JEEE C=CCOc1ccc(Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CC(=O)N(C)C[C@H]2C)cc1 1508103302 BILDEMADHWJBCY-LZNRXBQRSA-N 455.559 2.282 30 10 JEEE C=CCOc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CCC(C(=O)OC)CC2)cc1 1508104492 LHMDGFKCBBUESF-UHFFFAOYSA-N 453.543 2.403 30 10 JEEE CC(=O)N1CCC[C@@H](Cn2c(CC(C)C)nnc2N2CCN(c3ncccc3C#N)CC2)C1 1508214885 JSLLAGIJIOVDDB-HXUWFJFHSA-N 450.591 2.328 30 10 JEEE Cc1nn(C)c(N2CCN(c3nnc(C(C)(C)C)n3CC3(S(C)(=O)=O)CCCC3)CC2)c1C#N 1511662852 AYNHJVSXLFIMPN-UHFFFAOYSA-N 488.662 2.173 30 10 JEEE CC[C@@H](C)NC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cc(C)no2)CC1 1513199402 ANHHSVMRNCKJBB-GOSISDBHSA-N 492.584 2.110 30 10 JEEE C=CC[C@]1(C(=O)Nc2cccn(CCS(C)(=O)=O)c2=O)CCCN1C(=O)OC(C)(C)C 1537512005 MMKARJVYKOZQOM-OAQYLSRUSA-N 453.561 2.177 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(C)(C)SC)c1 1539043163 NXKBBDOTJPGNLO-KRWDZBQOSA-N 475.640 2.378 30 10 JEEE C#CCN(c1nnc([C@H](C)OCCOC)n1CC1(C)Cc2ccccc2C1)[C@H]1CCS(=O)(=O)C1 1539204712 CHPKPEOTZSCJEW-UGKGYDQZSA-N 486.638 2.434 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCCS1)[C@@H]1CCS(=O)(=O)C1 1539206914 XAEGRAYISWOKKO-QZTJIDSGSA-N 461.569 2.376 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@](C)(OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1539210898 FFLRTCMQJYRINZ-REWPJTCUSA-N 453.568 2.259 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@H](C)Oc1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1539225435 OCOPCPSOGRNZMT-PZJWPPBQSA-N 495.605 2.367 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1C[C@H](C)CN1CCOCC1 1539391733 HQGGWKOGGLDKQB-HXUWFJFHSA-N 468.577 2.148 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc4c(s3)CC[C@H](C)C4)n2CCC(=O)NC)CC1 1539470151 KWCOOLZJAJWORF-INIZCTEOSA-N 468.627 2.233 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCCO2)n1CC1(O)CCS(=O)(=O)CC1 1540119146 AMQKEKGKQZOCKN-HXUWFJFHSA-N 476.599 2.271 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@]2(CCCOC2)C1 1540861925 LPVKOIBAVVZMHU-DEOSSOPVSA-N 452.559 2.456 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1540866980 HDGLKHCYDXXJGB-DYVFJYSZSA-N 469.464 2.421 30 10 JEEE C=CCNC(=O)Cn1c(N(CC)[C@H]2CCS(=O)(=O)C2)nnc1C1(c2ccccc2)CCC1 1540876661 XVTHJEXSMOFQGV-IBGZPJMESA-N 457.600 2.064 30 10 JEEE CC(C)[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1541299230 BYDSAVKZGHIOGA-AREMUKBSSA-N 496.612 2.211 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H]1CCCN(CC(C)C)C1)[C@H]1CCS(=O)(=O)C1 1588073838 FOSRYMAAVPWEPD-QHAWAJNXSA-N 463.648 2.124 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H]2CCCCN2CCC)CC1 1588749763 AEBZPPKEXCORDZ-WIOPSUGQSA-N 458.651 2.338 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2C[C@@]2(N(C)C)CCSC2)CC1 1588871816 RJOQJFRVNMSSAP-QHCPKHFHSA-N 458.607 2.189 30 10 JEEE C=C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2cccc(OCC(N)=O)c2)CC1 1594023161 DXBHPEWPECVJNG-XMMPIXPASA-N 455.559 2.388 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[C@@H](N2CCOCC2)C(F)(F)F)CC1 1594236504 DHPWAMPHNDRMLQ-ZWKOTPCHSA-N 491.580 2.236 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1595477802 ZTVSPDRUWSTXNZ-QZTJIDSGSA-N 470.549 2.451 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1595529729 FOIWFCICMFTFBN-FQEVSTJZSA-N 476.585 2.174 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2COCCO2)C1 1597606031 CWGNGHQCGRLXDN-RTBURBONSA-N 454.531 2.336 30 10 JEEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@H]1CCCN(S(=O)(=O)c2c(C)n[nH]c2C)C1 1627264576 NCDUYXOUBQEELG-KRWDZBQOSA-N 450.561 2.117 30 10 JEEE COc1ccc([C@H](NC(=O)N2CCN(CCC#N)CC2)c2cccc(S(C)(=O)=O)c2)cc1 1632353610 HYVKLSXMQOOAMA-QFIPXVFZSA-N 456.568 2.429 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(C)C 1635310817 QPXKBFRRMRGHBX-CZAAIQMYSA-N 452.573 2.248 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2F)ccc1F 1654004652 PMBJRKZLJFGFPJ-CVEARBPZSA-N 459.515 2.367 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H](F)COC)[C@@H]1CCS(=O)(=O)C1 1689982477 OGZYXVDPIKIEAU-HZPDHXFCSA-N 472.489 2.158 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1cccc(N(C)C)c1)[C@@H]1CCS(=O)(=O)C1 1689993677 JLHKJSLXGCQTJQ-JOCHJYFZSA-N 464.595 2.005 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCC[C@@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1689996771 NZLSMYQRDQHAMW-RTWAWAEBSA-N 474.631 2.116 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)Nc2ccccn2)n1CC(=O)NCC(F)(F)F 1690087457 YXVRUIBFNOEZNH-UHFFFAOYSA-N 489.433 2.383 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(N2CCSCC2)CCCCC1 1690104470 XORXVOWUJSOEPQ-FQEVSTJZSA-N 495.715 2.018 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc(Cl)cc3)n2C[C@]2(O)CCOC2)n1 1690109070 FQDBVJWSKLUGHT-HSZRJFAPSA-N 470.961 2.233 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1ccc(C(=O)NC)cc1 1690155087 FNIORUDCNZWLCH-UHFFFAOYSA-N 463.567 2.288 30 10 JEEE C#CCSCCn1c(Cc2ccccc2C)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1690177352 RTONZMXEFCHPGJ-OAQYLSRUSA-N 466.611 2.310 30 10 JEEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1690228828 GWNPSMJYOCAINK-DLBZAZTESA-N 451.369 2.491 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2nsnc2c1 1690265381 NPXSLZVXOHFTOX-SFHVURJKSA-N 477.616 2.066 30 10 JEEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1690274807 DVMFZWWOHAXZEV-OWCLPIDISA-N 456.613 2.204 30 10 JEEE C=C(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1690279825 HDAQSEVXFVSZLH-UHFFFAOYSA-N 463.542 2.359 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1690720473 KIAMLJPWEYJFRQ-GOSISDBHSA-N 466.629 2.258 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1690726561 DOLBSGTYDAQJHD-UHFFFAOYSA-N 451.637 2.306 30 10 JEEE CCO[C@H](CCn1c(C(=O)NC(C)C)nnc1N1CCN(c2cc(C#N)ccn2)CC1)C(C)C 1696004720 BHRVVBRZNVHCCC-HXUWFJFHSA-N 468.606 2.461 30 10 JEEE COC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C2CC2)N(C)C)C1 1697039210 DWLMPVIBGBARHD-TZIWHRDSSA-N 452.559 2.458 30 10 JEEE CO[C@@H]1COCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CCC(N)=O)CC1 1697702256 CUIWQWDRMIOSNS-IFMALSPDSA-N 482.585 2.262 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCC[C@@H]2OC)c1 1705504112 NBWSBSOMMLDEBB-FPOVZHCZSA-N 464.570 2.385 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1CCCNC(=O)c1occc1C)[C@H]1CCS(=O)(=O)C1 1705561568 UYEXFVJATVISBY-AEFFLSMTSA-N 461.588 2.140 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCN(C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1705566250 LVBLTIUWYWAUJW-RTWAWAEBSA-N 457.600 2.283 30 10 JEEE C#CCN(c1nnc(COCC)n1Cc1coc(-c2cccs2)n1)[C@@H]1CCS(=O)(=O)C1 1705568957 XKGXOOQGYDEPKM-MRXNPFEDSA-N 461.569 2.206 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1([S@@](C)=O)CCC1)[C@H]1CCS(=O)(=O)C1 1705571567 BDPHEQSHIXEOPT-VXVSMWNASA-N 496.699 2.125 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(OC)c2)n1C[C@@]1(N2CCOCC2)CCSC1 1705576137 HEEMCMOLMIXZEX-DEOSSOPVSA-N 451.596 2.234 30 10 JEEE C#CCN1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(CN3CCC(O)CC3)cc2)CC1 1705631823 AHDDMHJQKQVLGW-UHFFFAOYSA-N 450.631 2.336 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCc2ccc(N(C)C)cc2)CC1 1705631831 AQZFGCZTAOTBKW-UHFFFAOYSA-N 451.619 2.260 30 10 JEEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](OCc2cccc(OC)c2)C1 1705747682 RSVYUVRVBPBKKX-MAUKXSAKSA-N 469.995 2.445 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1705786360 MCTFWSIXMJEUOC-RTBURBONSA-N 479.651 2.209 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1705898397 KKRUPQBENICRDQ-HNNXBMFYSA-N 461.954 2.399 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CCCN(C(=O)C(C)C)CC1 1705937587 YIOVGGVNYIFUKH-UHFFFAOYSA-N 473.643 2.359 30 10 JEEE C=CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1705940253 YZUNDSPEMRUPNR-GOSISDBHSA-N 458.588 2.018 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nc2cccc(Cl)c2n1C 1706074964 HKERFDBYCRSJQT-KGLIPLIRSA-N 461.979 2.364 30 10 JEEE CC(C)[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1706245862 CPTIHVWGYDRVAL-VWLOTQADSA-N 474.569 2.044 30 10 JEEE CC(C)C[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1)N(C)C 1706369186 BRCBKRPOYJSMBA-FPOVZHCZSA-N 474.631 2.328 30 10 JEEE CCOC(=O)N[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(OC)CCOC2)C1 1710382976 DUDMSFZNGKGPPC-DVECYGJZSA-N 484.557 2.249 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@]1(O)CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1722364019 WGHZANTUXLCJLL-GEQKSPFYSA-N 458.584 2.132 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1ccccc1COCC)[C@@H]1CCS(=O)(=O)C1 1722364972 JTELHOOLDZAWLT-HSZRJFAPSA-N 479.606 2.475 30 10 JEEE C=CC[C@@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(S(C)(=O)=O)CC1)c1ccccc1 1722595764 UNEUHBWZBVMDGI-FKBYEOEOSA-N 489.642 2.444 30 10 JEEE C=CCCCn1c(N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1722623334 SFSHDRSWFOIWKK-PKTZIBPZSA-N 460.579 2.099 30 10 JEEE C=CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CC[C@]2(CCOC2)O1 1722678921 HXJWHGDPKBNIOO-AUSIDOKSSA-N 476.599 2.326 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CC[C@H](CN2CCOCC2)C1 1722694338 SQAUJMPDNGJHOW-QGZVFWFLSA-N 489.418 2.168 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](c2nc(C(C)C)cs2)C1 1722698414 GAVIRZYLEHPMGV-DLBZAZTESA-N 492.671 2.446 30 10 JEEE C#CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(C(=O)NCC#C)CC1 1740571984 YMEBRTDKKNVOAI-UHFFFAOYSA-N 481.626 2.008 30 10 JEEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C[C@H]2CCCO2)CC1 1740591359 ONUWHIRTGCUDID-NHCUHLMSSA-N 488.633 2.301 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CC1(C2CC2)CCC1)[C@H]1CCS(=O)(=O)C1 1740615822 LXNMGVLLBHGZDL-IBGZPJMESA-N 461.632 2.404 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2c(Cl)c(C(F)(F)F)nn2C)CC1 1740705668 KNRYVMCZDVNJJC-CQSZACIVSA-N 499.925 2.202 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2cccc(C)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1740763551 MOTJASRUOHPYHR-KNQAVFIVSA-N 475.615 2.228 30 10 JEEE C=C(C)COCCn1c(-c2ccccn2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1740790562 JMLRDMWAAYUHKA-NFBKMPQASA-N 467.618 2.312 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CN(CC)C(=O)OC(C)(C)C)CC1 1740958592 RGAKJPGIBAVCFV-SFHVURJKSA-N 489.621 2.005 30 10 JEEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1740958844 HMYOUPDOTZPDBL-HSZRJFAPSA-N 489.646 2.182 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@@H](c2nnc(N3CCO[C@@H](C#N)C3)n2CCN2CCSCC2)C1 1741213228 AZMWBJNYJLHDSD-MOPGFXCFSA-N 491.662 2.170 30 10 JEEE CC(C)N(CCn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1)C(C)C 1741620771 DYXUEPDUQQVTOE-UHFFFAOYSA-N 460.604 2.082 30 10 JEEE C[C@@]1(C#N)CCCN(c2nnc(Cc3ccccc3F)n2CCNS(=O)(=O)Cc2ccon2)C1 1741983043 DPURYXBCQFTFJZ-QFIPXVFZSA-N 487.561 2.246 30 10 JEEE CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1Cc1ccc(C[S@](C)=O)cc1 1747185875 AZRNVXOQTWNXLB-UMSFTDKQSA-N 479.610 2.335 30 10 JEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1748717633 FAIBPPWCTHCMOU-KRWDZBQOSA-N 451.593 2.041 30 10 JEEE C#CCCCCn1c(COc2ccccc2CC)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1748726582 HJUAECLRIIZUTG-UHFFFAOYSA-N 492.624 2.494 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@@](C)(O)CCC)[C@H]1CCS(=O)(=O)C1 1748804440 HSZXLPKZDQHSRY-KXBFYZLASA-N 484.420 2.214 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1CCCc1ccc(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1748817524 LRQBCAUAMNTGKT-PMACEKPBSA-N 488.610 2.059 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1c(F)cc(F)c(F)c1F)[C@H]1CCS(=O)(=O)C1 1748818428 BKNNTTYFEUYXMX-HNNXBMFYSA-N 493.486 2.495 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2CC2(C(N)=O)CCCC2)CC1 1749016375 CJXAEGLAQKJQRM-UHFFFAOYSA-N 466.561 2.020 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)NCCCC)CC1 1749098298 VPFQYEWVNNGYMM-HNNXBMFYSA-N 453.385 2.271 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2nccc(OC)n2)CC1 1749114466 CUYNJZWRIRPENF-GHTZIAJQSA-N 498.632 2.303 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCCC(C)(C)C1 1749158762 LWCKAKMPDJPUQR-IBGZPJMESA-N 468.668 2.135 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)Cc1cccs1 1749655976 WAJHZYSCOUADSG-UHFFFAOYSA-N 474.612 2.196 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CC[C@H](C(=O)N(C)c2ccccc2)C1 1749740689 HPNKPNLYQCQCCU-AZUAARDMSA-N 473.599 2.220 30 10 JEEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2nc(CC)ns2)CC1 1760129659 UXTRSTPFTIPMBN-UHFFFAOYSA-N 465.587 2.469 30 10 JEEE C#CCCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(Cc2nc(COC)no2)CC1 1760153820 DZSSYEGNENFZGY-UHFFFAOYSA-N 471.512 2.412 30 10 JEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1Cc1cnn(C)c1C)[C@@H]1CCS(=O)(=O)C1 1760180343 CKMVSQKQWKEGMT-LJQANCHMSA-N 458.975 2.315 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1CC1(COC)CCC1)[C@@H]1CCS(=O)(=O)C1 1760191032 ZQNWHIHSDIUQFZ-GOSISDBHSA-N 463.629 2.077 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1Cc1cc(C)no1)[C@@H]1CCS(=O)(=O)C1 1760191615 KPYFVQNAKAYTCE-LJQANCHMSA-N 469.567 2.445 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCc1nnc(C)s1 1760213039 NFSLSJUBZSHOCB-UHFFFAOYSA-N 454.581 2.214 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2CC2CCN(CCN(C)C)CC2)CC1 1760267922 GPQOKFZYMOWDMU-UHFFFAOYSA-N 491.684 2.493 30 10 JEEE C#CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1760286489 MJDUGHUHQHADOR-SJORKVTESA-N 483.660 2.340 30 10 JEEE C=C(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1760344935 UHWDVQPXPZPDSF-UHFFFAOYSA-N 485.614 2.018 30 10 JEEE C=CCCOCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(C)C(=O)C1 1760450469 LMWZNRHEXJSIBT-GOSISDBHSA-N 462.595 2.264 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](C(F)F)C1 1760517502 OFUVMRNFSLXBRT-HNNXBMFYSA-N 453.515 2.132 30 10 JEEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1760569784 ZYHMNPJHHFSLDD-HXUWFJFHSA-N 450.634 2.074 30 10 JEEE CC(=O)N1CCN([C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CC(F)(F)F)C[C@@H]2C)CC1 1760621246 FPZBCRJLLSMMLF-HNAYVOBHSA-N 461.492 2.368 30 10 JEEE CCc1ccccc1OCc1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@@]1(O)CCS(=O)(=O)C1 1762663359 FCZSHARMUVTNFI-GOTSBHOMSA-N 473.599 2.099 30 10 JEEE COc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(CCN3CCOCC3)C2=O)c(OC)c1 1863416219 QZHPXTZVNCEAJZ-UHFFFAOYSA-N 462.506 2.100 30 10 JEEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1cccc(OC)c1 1865724746 WYKUQWKTFIGBIG-GOSISDBHSA-N 470.570 2.264 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)Nc2ccc(OCC)cc2)cn1CCOCCO 1870699144 LEMUPXCXYVGCLV-UHFFFAOYSA-N 485.581 2.447 30 10 JEEE CC(C)(C)OC(=O)N[C@@]1(C(=O)N[C@H](C(=O)O)C(C)(C)S)CCN(Cc2ccccc2)C1 2019058041 KXZAWRZTAOHDSZ-ZHRRBRCNSA-N 451.589 2.434 30 10 JEEE CSCCN(CC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1)C(=O)OC(C)(C)C 2060634002 UOGZRPYMRDFIBS-UHFFFAOYSA-N 452.386 2.314 30 10 JEEE CN(C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CC[C@H]1NC(=O)OCc1ccccc1 2247826659 XZTTTXCUZLESEG-QZTJIDSGSA-N 454.336 2.238 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CO)CNC(=O)c1ccc(Cl)cc1B1OC(C)(C)C(C)(C)O1 2255538120 GJAKFSHJBCGDMO-CQSZACIVSA-N 454.760 2.255 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1COC[C@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2255611575 VHRDHERTYLTADP-DZGCQCFKSA-N 452.382 2.317 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)c2csc(B3OC(C)(C)C(C)(C)O3)c2)CCO1 2255708047 FEBWBNRNRYFSIE-HNNXBMFYSA-N 452.382 2.413 30 10 JEEE CC(C)(C)OC(=O)N1CCS[C@@H](C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)C1 2256677104 ACNSEONKMNRHOE-CQSZACIVSA-N 469.438 2.411 30 10 JEEE C[C@@H]1CN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)CC[C@@H]1NC(=O)C(F)(F)F 2267366379 FODAAKCARFPNKO-YPMHNXCESA-N 482.355 2.125 30 10 JEEE CCC[C@@H](CNC(=O)c1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C)NC(=O)OC(C)(C)C 2267498538 KWDBZXLTHLBKBV-HNNXBMFYSA-N 450.389 2.451 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CN(C(=O)c2csc(B3OC(C)(C)C(C)(C)O3)c2)CC[C@H]1CO 2267552971 KOOQTIIYEITKDP-HOCLYGCPSA-N 466.409 2.395 30 10 JEEE COC[C@](C)(CC(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1)NC(=O)OC(C)(C)C 2268602893 MVRVUNWBTZNDEM-NRFANRHFSA-N 469.413 2.378 30 10 JEEE Cn1ncc(C(=O)NC[C@]23CC[C@H]2CN(C(=O)OC(C)(C)C)C3)c1B1OC(C)(C)C(C)(C)O1 2281808613 DEQRRFOKJOGRPZ-WNSKOXEYSA-N 460.384 2.096 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1CCCCN(C(=O)OC(C)(C)C)C1 2282042958 GSORRZDTENNMIE-MRXNPFEDSA-N 462.400 2.486 30 10 JEEE CC1(C)OB(c2cccc(C(=O)NC[C@@]3(O)CCN(Cc4ccccc4)C3)c2F)OC1(C)C 2282147628 QLXHERSRPPQEGC-VWLOTQADSA-N 454.351 2.492 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2CN(S(=O)(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)cc3)C[C@@H]2C1 2282343608 QREZDVXQFSKCJQ-IRXDYDNUSA-N 478.420 2.473 30 10 JEEE COCC1(NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)c(F)c2)CN(C(=O)OC(C)(C)C)C1 2282480508 IEDZAEJGSZEJBY-UHFFFAOYSA-N 464.343 2.491 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)Nc1nc(CCNC(=O)OC(C)(C)C)cs1 2282484726 LPDDIWRWQLBDPB-UHFFFAOYSA-N 477.396 2.495 30 10 JEEE C[C@H]1CN(S(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)[C@@H](C)CN1Cc1ccccc1 2282490200 JAJLTRIQTLTWJK-ROUUACIJSA-N 474.436 2.003 30 10 JEEE CCc1nc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H](O)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2282525065 ILFWCVJYGYFYGP-CQSZACIVSA-N 481.424 2.059 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H]3CC[C@@]3(CNC(=O)OC(C)(C)C)C2)n1 2282533458 LNZVVJPSKINYLN-IQMFZBJNSA-N 460.384 2.096 30 10 JEEE CC[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2282573185 WNUYYHQOSBBIJT-DOTOQJQBSA-N 462.400 2.485 30 10 JEEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@@H](F)[C@@H](NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C2 2282585030 ICGPMIAEAGDPBG-TUUVXOQKSA-N 464.347 2.317 30 10 JEEE C[C@@H]1CN(Cc2ccccc2)C[C@@H]1CCNC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2282620190 BRQSTGLESBETLT-MJGOQNOKSA-N 453.396 2.002 30 10 JEEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCCC[C@H]1CCNC(=O)OC(C)(C)C 2282684596 SWUNXTQHYLQBRN-HNNXBMFYSA-N 463.388 2.024 30 10 JEEE C[C@@H]1C[C@H](NC(=O)C(F)(F)F)CCN1C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1O 2282882971 TWDHCHZDDRDCHI-TZMCWYRMSA-N 456.270 2.363 30 10 JEEE CO[C@@H](C)[C@H](CC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)c(C)n1)NC(=O)OC(C)(C)C 2283984280 UNYULDOETGWBHV-HOCLYGCPSA-N 464.372 2.341 30 10 JEEE C[C@@H](O)CN(CCNC(=O)OC(C)(C)C)C(=O)c1cc(F)ccc1B1OC(C)(C)C(C)(C)O1 2285350756 QXODAMXDOMVPAI-OAHLLOKOSA-N 466.359 2.473 30 10 JEEE COC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)(C)C)C2)n1N=Cc1ccc(O)c([N+](=O)[O-])c1 2327874552 MXPSTQJKICFDMV-CYBMUJFWSA-N 476.515 2.154 30 10 JEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CCNC(=O)[C@@H]2C[C@H]2B2OC(C)(C)C(C)(C)O2)C1 2334272502 SCYQIYKQVVPUEQ-ARFHVFGLSA-N 472.413 2.009 30 10 JEEE CC(C)[C@H](CCNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C)NC(=O)OC(C)(C)C 2337199297 UBZCLDNGTFHTRY-HNNXBMFYSA-N 450.389 2.389 30 10 JEEE CC(C)(C)OC(=O)N1CC(CNc2ncc(Cl)cc2B2OC(C)(C)C(C)(C)O2)(C(N)=O)C1 2339396762 LSHDFHDVCMBYGL-UHFFFAOYSA-N 466.775 2.169 30 10 JEEE CN(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C)[C@@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C 2362338556 SCLZKGBDCSPUIM-HZPDHXFCSA-N 462.400 2.485 30 10 JEEE COc1ccc(NC(=O)[C@@H]2C[C@H](O)CN2C(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2365287276 WYJZLPSDZIJEQN-RDJZCZTQSA-N 462.352 2.303 30 10 JEEE CCOC(=O)[C@H]1C(c2ccc(C#N)cc2)[C@@H](C(=O)OCC)[C@](O)(C(F)(F)F)N[C@]1(O)C(F)(F)F 13467586 XJBOQDHLLNCDHU-VSWQYFQMSA-N 498.376 2.105 30 10 JEEE Cc1nn(CCO)c(C)c1/C=N/Nc1nc(SCC(=O)NCc2ccc(C(F)(F)F)cc2)n[nH]1 59887686 QQZAKSXMDMTUJV-KIBLKLHPSA-N 496.519 2.484 30 10 JEEE CN(C)CCCN1C(=O)C(=O)/C(=C(\O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@@H]1c1ccccc1 102717484 DRUSCAPQMCEMAC-AGGMBTAESA-N 471.579 2.310 30 10 JEEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)cc1 1151170915 OWNUCRRMKBYFBB-AWEZNQCLSA-N 451.907 2.479 30 10 JEEE C#Cc1cccc(NC(=O)NC(=O)CN2CCN([C@@H](C)C(=O)Nc3cccc(F)c3)CC2)c1 1167911514 INIZRWORRCKVSS-KRWDZBQOSA-N 451.502 2.100 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CC[C@@H]1CCO[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1286379876 DBFFOXAMGBKOCV-NSHGMRRFSA-N 479.647 2.028 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCC[C@H](O)C1)[C@@H]1CCS(=O)(=O)C1 1286387561 GKJFVHRSUWOQBA-NXHRZFHOSA-N 463.991 2.171 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccccn2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1286425351 JOLMFPJTLJMKEO-TZIWHRDSSA-N 452.584 2.007 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H]1CN(CC(C)C)CCO1 1286426060 ICIAFCHLURTNDK-HXUWFJFHSA-N 473.581 2.414 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(F)c(C)c2)n1 1286471559 NFSCABSPSLPSLX-OAQYLSRUSA-N 465.533 2.208 30 10 JEEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1286506250 RKIAXMRPCBUJRP-XMMPIXPASA-N 482.610 2.058 30 10 JEEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)Cc1ccccc1 1286508064 FMCGVGUUQNIBSM-IBGZPJMESA-N 463.629 2.004 30 10 JEEE C=C(C)Cn1c(N2C[C@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1286598308 FPIVDUFBUQWJIT-HOKHCIIBSA-N 474.650 2.274 30 10 JEEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1286675545 OWDIMQHLNFVAAL-UHFFFAOYSA-N 471.650 2.137 30 10 JEEE C=CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1286683017 ZOILOXKCJNAUDS-UHFFFAOYSA-N 485.618 2.137 30 10 JEEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1286686450 HPJJOAIBOGJNBT-FQEVSTJZSA-N 457.623 2.110 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1286778744 AACOQUYBYISJEY-WMZOPIPTSA-N 474.993 2.268 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccccc2S(=O)(=O)N(C)C)C1 1286811112 ZTFBHNHABCFGLK-PMACEKPBSA-N 475.615 2.252 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCN(C(=O)N2CCCC2)CC1 1286815901 BTKITYWKLCJKMS-UHFFFAOYSA-N 476.578 2.023 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1286817599 WKQHYMSOKQONCG-KRWDZBQOSA-N 495.602 2.177 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCOc1ccccc1 1288154211 AKEWWPBWPMOPOH-UHFFFAOYSA-N 460.542 2.089 30 10 JEEE Cc1c(Cl)cccc1NC(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C#N)C1 1289268747 CSEJLLDCIJWFFD-MRXNPFEDSA-N 471.949 2.234 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCCOc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1300488837 WVGNIBIWLUZCAE-SFHVURJKSA-N 469.567 2.378 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1Cc1ccc(F)cn1)[C@H]1CCS(=O)(=O)C1 1300497305 AJGDBGFNOFXJEF-FQEVSTJZSA-N 469.542 2.087 30 10 JEEE C#CCN(CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCc1nccnc1C 1300635419 LNIKOCJVIKXQTG-UHFFFAOYSA-N 458.614 2.443 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2CC2(N(C)C)CCOCC2)CC1 1300729191 PYLZNASVCGQVTF-UHFFFAOYSA-N 478.641 2.140 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCC(F)(F)CC1 1300805421 CFIJMXUJEKRLBW-YLJYHZDGSA-N 471.574 2.429 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)COC)CC1 1300875775 QJWNTXUZGAULSZ-REWPJTCUSA-N 496.612 2.423 30 10 JEEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1300980491 JJILIVLGMDUEQX-UHFFFAOYSA-N 456.938 2.173 30 10 JEEE C=CCCCCn1c(-c2cc(F)ccc2Br)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1301175957 MFOKURHQQBEGNX-HNNXBMFYSA-N 491.365 2.350 30 10 JEEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](c2ccccc2C)C1 1301509685 LXMJZYZHSVQXQQ-IBGZPJMESA-N 480.594 2.458 30 10 JEEE CCN(CC)C(=O)c1ccc(Cn2c(C)nnc2N2CCN(c3nccnc3C#N)C[C@H]2C)cc1 1313633926 GRPHBJHPFVCMIW-GOSISDBHSA-N 473.585 2.494 30 10 JEEE COc1ccc(OCc2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@H]2CCN(S(C)(=O)=O)C2)cc1 1315533628 FSCVKNXQUKNQDL-FDDCHVKYSA-N 488.614 2.277 30 10 JEEE COc1ccccc1Cc1nnc(N2CCO[C@H](C#N)C2)n1CCn1cc(Br)cn1 1315630569 AVZRIXYGGJOVPK-QGZVFWFLSA-N 472.347 2.265 30 10 JEEE COCC[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CC2)C1 1316001455 BDXKEWVUEJXIGA-GOSISDBHSA-N 459.572 2.169 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCC[C@H]2C)c1 1358901409 JPBPITDKUDXMHZ-ZIFCJYIRSA-N 472.615 2.381 30 10 JEEE C#CCCCCn1c(Cc2ccncc2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1358915266 XUMUGXTZNPBKOA-QPPBQGQZSA-N 463.630 2.446 30 10 JEEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCn1cc(Br)cn1 1358941704 UWHNXBKUFAJZAP-UHFFFAOYSA-N 477.388 2.467 30 10 JEEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(Cl)c(OCC)c(OC)c1 1358949325 YROAUZLBDUOEFL-HNNXBMFYSA-N 452.964 2.359 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1358956534 HFVUXVASFLCOAN-MSYCTHLASA-N 464.632 2.383 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1359010249 KPDBSHBLQCGPLH-ZWKOTPCHSA-N 465.620 2.287 30 10 JEEE C#CCN1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2Cc2cc(C)on2)CC1 1359035561 XRTUZLMZVLDCTR-UHFFFAOYSA-N 469.590 2.493 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CC(F)(F)CNC(=O)OC(C)(C)C)CC1 1359036670 DVMYOIKPIAJEQU-UHFFFAOYSA-N 475.544 2.179 30 10 JEEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@H](CC)C1 1359050729 ANLUVXNOUJQADI-SFHVURJKSA-N 463.629 2.177 30 10 JEEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1359126874 BKFJSDKVIBCUIC-AWEZNQCLSA-N 458.382 2.252 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(OCC)CCCC1)C1CC1 1359251413 KOSQJSIOWOSZOY-SFHVURJKSA-N 453.609 2.115 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC(CNC(C)=O)CC1 1359305966 RSHVQSUPCPQMMZ-IBGZPJMESA-N 489.621 2.005 30 10 JEEE C[C@@H]([C@@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCN1CCN(C)C(C)(C)C1)S(C)(=O)=O 1359479086 DTFGLGMXCPNBJB-MOPGFXCFSA-N 487.674 2.101 30 10 JEEE N#Cc1ccc(OCC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)cc1Br 1359792555 DAESUVSQECXRHH-UHFFFAOYSA-N 458.312 2.488 30 10 JEEE C#C[C@H](NS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)cc1)C1CCOCC1 1475514736 KPQFIERXRDPQSL-LZJOCLMNSA-N 454.614 2.060 30 10 JEEE C[C@@H]1CCCCN1CCCn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1 1493660524 FEJSSFSKHXOSIB-HXUWFJFHSA-N 465.602 2.376 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cccc(C(=O)NCC)c1 1507527015 FXVCXLZCZYRXGO-KRWDZBQOSA-N 479.610 2.494 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCC(F)(F)F)nc1 1507539201 SCJDAZVCMWMZIK-ZFWWWQNUSA-N 457.478 2.023 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCN(C)Cc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1507631743 SRVVPIZPHDIEAB-HXUWFJFHSA-N 470.574 2.171 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCN1CCCC[C@H]1CC)[C@@H]1CCS(=O)(=O)C1 1507633040 RFANYNVMYRDSEU-NJYVYQBISA-N 463.648 2.411 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C2CCN(c3ncccn3)CC2)n1CCC(=O)NC 1507701397 FVFODFDVAIIYRD-UHFFFAOYSA-N 476.560 2.367 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCn1cc(Cl)cn1 1507710237 DKCUCPQRYIRUCP-SFHVURJKSA-N 493.996 2.223 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2CCc2ccn(C)n2)CC1 1507720881 JPZBXMGUPFZSMO-UHFFFAOYSA-N 484.402 2.448 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@H]2CCCCS2(=O)=O)CC1 1507722130 PTXRVUDPGXQLFA-WIYYLYMNSA-N 475.590 2.280 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H](C)N2CCC[C@@H](C)C2)CC1 1507733737 KJDVOXPWZHLJLX-UXHICEINSA-N 485.677 2.283 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](CN2CCCCC2)C1 1507806474 OZTSTQDIBBVNGA-NCYKPQTJSA-N 480.679 2.182 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1507808211 XWEZXQYUYFEXBG-POAQFYNOSA-N 480.660 2.133 30 10 JEEE C=CCN(C)c1nnc(COc2ccc(Br)cc2)n1CCNC(=O)c1cc[nH]n1 1507986007 SDINUMGWWGTMDE-UHFFFAOYSA-N 460.336 2.395 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1508084466 BUCLHMXDONWPOX-GOSISDBHSA-N 463.542 2.207 30 10 JEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCN(c2ccc(F)cc2)CC1 1508084923 QNGBWCCOOHKGRA-UHFFFAOYSA-N 455.563 2.402 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1508145261 YPWGFWVWRMPZGV-MBSDFSHPSA-N 478.590 2.383 30 10 JEEE CC(=O)N1CCN(CCn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@H](OCC(C)C)C2)CC1 1508271196 BLEZPVLRDLCVSW-XMMPIXPASA-N 495.628 2.144 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(F)cccc1Cl 1508420580 AHLAIGBVDBGPIB-CXAGYDPISA-N 470.958 2.048 30 10 JEEE CC(C)C1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@](C)(C#N)C2)CC1 1508877064 HZKFZHQQTHFSEE-YLJYHZDGSA-N 450.609 2.177 30 10 JEEE CCCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1515100317 ACVBTXAEYQNTBV-GOSISDBHSA-N 459.558 2.157 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1(N(C)C)CCOCC1 1538966406 ZDIYBKZLKJWQSW-KRWDZBQOSA-N 458.994 2.430 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1CCOCC1 1539408840 FGKFXIUCEMXWNT-UHFFFAOYSA-N 450.543 2.188 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(OC3CCCC3)cc2)CC1 1539432228 YWPQWABQKUSITR-LJQANCHMSA-N 486.642 2.013 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccc(COC)cc2)CC1 1539468310 DDPFRHAFFDKWHP-HHHXNRCGSA-N 495.624 2.479 30 10 JEEE C=CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1540853413 HIHHAJMRWITVSZ-SFHVURJKSA-N 451.575 2.122 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1540863526 XZGHAPRLMZVRDL-DBVUQKKJSA-N 459.522 2.244 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCO[C@@]2(CCOC2)C1 1540866332 KDACQINLJDNFBT-NRFANRHFSA-N 492.374 2.014 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1ccco1 1540905674 VLQYHQAHTSUIKS-SFHVURJKSA-N 495.602 2.417 30 10 JEEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1540920236 RWACKTILVMJYDI-INIZCTEOSA-N 450.609 2.423 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@@H](C)Oc1ccccc1 1541675228 FCBFENJMVJEGLI-RBUKOAKNSA-N 489.584 2.261 30 10 JEEE Cc1cccnc1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1542790426 GTHSKCGYPUZHQK-HXUWFJFHSA-N 495.609 2.246 30 10 JEEE CCN1CCN(C[C@H](C)Cn2c(C(=O)N3CCCC3)nnc2N(C)Cc2cccc(C#N)c2)CC1 1547724663 CBZWPWCSLGWKBY-NRFANRHFSA-N 478.645 2.296 30 10 JEEE CCOC1CC(O)(Cn2c(CSc3ccccc3OC)nnc2N2CCO[C@@H](C#N)C2)C1 1548042542 CXAIOSBGMATVJI-JQHMZKTJSA-N 459.572 2.238 30 10 JEEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCN([C@@](C)(CO)c2ccc(Br)cc2)CC1 1558685655 YJVZOTDUPOOFIX-CTNGQTDRSA-N 452.393 2.272 30 10 JEEE C=CCS(=O)(=O)CCNC(=O)N1CC[C@H](C(F)(F)F)[C@H](CNC(=O)OC(C)(C)C)C1 1564417263 QFGSELKQCSPIRO-KGLIPLIRSA-N 457.515 2.322 30 10 JEEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1587804328 YVGPPCDGXVIZPK-UHFFFAOYSA-N 462.514 2.034 30 10 JEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CC[C@H](OCC)C1CCCC1)[C@@H]1CCS(=O)(=O)C1 1588024626 IAQNAZOZUCPFBL-RTWAWAEBSA-N 491.658 2.126 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H](c1cccs1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1588074194 KTFDJFOUFUZEJY-FGTMMUONSA-N 463.629 2.121 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1588574315 DESQYBSROFKSLM-RDPSFJRHSA-N 487.988 2.286 30 10 JEEE C#CCN(CCOC)c1nnc(Cc2ccccc2F)n1C[C@]1(N2CCOCC2)CCSC1 1588659802 OGGINJOXEIENFY-XMMPIXPASA-N 473.618 2.302 30 10 JEEE C#CCN(CCOC)c1nnc(Cc2ccc(F)cc2)n1C[C@]1(N2CCOCC2)CCSC1 1588660193 SBHYILVYNYZGJT-XMMPIXPASA-N 473.618 2.302 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](c2ccsc2)N(CC)CC)CC1 1588806117 HDHLDPZYNCBPRE-WOJBJXKFSA-N 455.632 2.129 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](F)c2ccc(Br)cc2)CC1 1588806343 NVEOHEJGCIHXMS-MSOLQXFVSA-N 475.366 2.458 30 10 JEEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1593696254 MIHVEQSRJFIKMT-VQTJNVASSA-N 469.590 2.065 30 10 JEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1594812505 GYZFXXNSVZEFIV-SFHVURJKSA-N 488.589 2.110 30 10 JEEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2csc(C(C)(C)C)n2)CC1 1595319302 KPSOQPYWOVZPSC-OAHLLOKOSA-N 467.665 2.151 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccc3cccnc23)C1 1595674178 NNOGPZQGFPUXFS-APWZRJJASA-N 456.572 2.266 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCC(C#N)CC1 1595789143 NTCZFIVDLLFBQD-UHFFFAOYSA-N 495.609 2.406 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCN(C(C)=O)C[C@H]1C 1595789242 PWIHYMHJOUSAMZ-QGZVFWFLSA-N 484.582 2.258 30 10 JEEE CC(=O)N[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCC[C@H]2C)C1 1596463591 BKPFTULYYIIOHT-NQIIRXRSSA-N 451.575 2.318 30 10 JEEE N#Cc1ccc(CN2CC[C@@H](NC(=O)N[C@@H]3CCN(c4ccc(Cl)cc4)C3=O)C2=O)cc1 1632032586 BUJDNPHPVMZGNW-WOJBJXKFSA-N 451.914 2.417 30 10 JEEE C#CCC1(O)CCN(C(=O)c2cc(S(=O)(=O)N3CCc4ccccc43)ccc2OC)CC1 1633140575 FHONQZHEFIAUJC-UHFFFAOYSA-N 454.548 2.437 30 10 JEEE CC(=O)c1ccc(S(=O)(=O)NCCC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)cc1 1634690336 WUIMDQNRWUEFSQ-UHFFFAOYSA-N 455.536 2.499 30 10 JEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2C[C@@H](NC(=O)OC(C)(C)C)[C@H](C(F)(F)F)C2)c1 1644871552 YTMWRBLLZKGASH-HZPDHXFCSA-N 475.489 2.126 30 10 JEEE N#Cc1ccc(S(=O)(=O)CCN2CCC[C@@H](S(=O)(=O)N3CCc4ccccc43)C2)cc1 1653225648 CNRLHWZQQHTDSI-OAQYLSRUSA-N 459.593 2.189 30 10 JEEE C#Cc1cccc(NC(=O)CNS(=O)(=O)C[C@@H]2CCCN2C(=O)OCc2ccccc2)c1 1661504435 NHMKRSOCMKZVJM-NRFANRHFSA-N 455.536 2.327 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2nc(C)cs2)c1 1689871881 IASASEDWSNPIAA-KRWDZBQOSA-N 484.607 2.050 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1Cc1cccc(NC(=O)OC)c1)[C@@H]1CCS(=O)(=O)C1 1689986541 SAVAVWKEDYHYDZ-LJQANCHMSA-N 482.566 2.137 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@@H]1CCCN1CCC)[C@@H]1CCS(=O)(=O)C1 1689992096 HILQFVWZMMKHFH-FCHUYYIVSA-N 485.654 2.379 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](CC)N1CCc2ccccc2C1 1690033385 WKFYCTAHYMBAIR-NFBKMPQASA-N 482.654 2.188 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccccc2Br)n1C[C@H]1CCN(S(C)(=O)=O)C1 1690098605 OOPRGSYPGUVXDI-INIZCTEOSA-N 496.431 2.075 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1690113316 GLVRPIMKZASWQH-KRWDZBQOSA-N 492.443 2.288 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2CC[S@@](=O)CC)CC1 1690150378 FPWDLOWVWIHDJE-XIFFEERXSA-N 466.611 2.085 30 10 JEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccccc2OC)CC1 1690316449 FWGCOJMUKMIAED-UHFFFAOYSA-N 454.575 2.328 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCS(=O)(=O)Cc2ccccc2)CC1 1690375312 GXEXAXOFQRDODU-HXUWFJFHSA-N 478.640 2.342 30 10 JEEE C=CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCS(C)(=O)=O 1690465215 VNKNGXMHQFJUIB-KRWDZBQOSA-N 471.624 2.424 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2cc(F)cc(F)c2)CC1 1690659672 ZPAYZRHFTUMFRL-UHFFFAOYSA-N 475.544 2.104 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1690717418 FPUNPHIINPZYFX-NRFANRHFSA-N 486.598 2.349 30 10 JEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CC(C)(C)c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1705558854 KFIRFEAEYDTLMD-HXUWFJFHSA-N 487.601 2.258 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCc1cc(C)cc(C)c1)[C@H]1CCS(=O)(=O)C1 1705564762 CNJVWDGUUBNQRZ-NRFANRHFSA-N 452.584 2.165 30 10 JEEE C#CCN(c1nnc(-c2nnc(O)c3ccccc23)n1C[C@](C)(O)[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1705566516 OYCMRFLXFBLVBI-KCYKTTMJSA-N 498.609 2.018 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNc2nccc(C(F)(F)F)n2)CC1 1705635531 AVPBYHCUZDLNKM-UHFFFAOYSA-N 481.486 2.493 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc4cccnc34)n2CC[S@](=O)CC)CC1 1705645771 DSFPXLKVCJKSEZ-MGBGTMOVSA-N 464.595 2.228 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H]2CC=CCO2)CC1 1705652733 LJLBDIBNJZROAZ-HBMCJLEFSA-N 498.628 2.360 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCn1ccnc1C 1705868390 LOUIKGCVIIOJSO-LJQANCHMSA-N 491.643 2.070 30 10 JEEE C=CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1705889720 ZMTDRJGVUGIPQF-UHFFFAOYSA-N 450.547 2.008 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCC(C)(c2nc(C)no2)CC1 1705935228 KMKLSLJIQADICG-UHFFFAOYSA-N 471.587 2.114 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1705935813 DLRFUYRRCRPOMJ-AZUAARDMSA-N 451.637 2.431 30 10 JEEE C#CCCCn1c(N2CCO[C@H](Cn3nc(C)cc3C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1722341148 ULWUUAYNQDHWKP-XUZZJYLKSA-N 456.591 2.451 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H](C)c1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1722359776 AWFVPZMLGAUNTR-UYAOXDASSA-N 450.568 2.474 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1CC[C@@H](OC)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1722364084 DSZXPIZRSIAFMB-JKSUJKDBSA-N 491.561 2.228 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CCN1CC=CCC1)[C@H]1CCS(=O)(=O)C1 1722371196 UTSDVFMEBFVPKM-NRFANRHFSA-N 469.611 2.054 30 10 JEEE C#CCN(c1nnc(CC2CCCC2)n1Cc1ncnn1C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1722371767 LKJWHRMOUOAIQR-SFHVURJKSA-N 459.620 2.032 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1Cc1ccc(N(C)C)nc1)[C@@H]1CCS(=O)(=O)C1 1722371968 ZSWMBVSIJKHZEH-OAQYLSRUSA-N 494.621 2.302 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC[C@@](C)(O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1722372559 ZBOADNMJRLTZGP-WIOPSUGQSA-N 496.637 2.064 30 10 JEEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CCCCNC(=O)OC(C)(C)C 1722380426 MELOHDJXRIZSAV-UHFFFAOYSA-N 454.531 2.384 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(N(C)C)nc1 1722384506 RGSGEXSGROWYOM-FQEVSTJZSA-N 479.585 2.169 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N(C)CCCC)CC1 1722459135 CVNCLZKHWAQUAI-IBGZPJMESA-N 481.688 2.022 30 10 JEEE C=CCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1722683019 YDEUKFQRLNUGBM-IBGZPJMESA-N 482.585 2.274 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC(C)(C)O)C1 1722719051 QBJHECJWZKOCJU-DLBZAZTESA-N 451.568 2.139 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1722725105 FNYJZQZXVPSUSY-UHFFFAOYSA-N 493.637 2.468 30 10 JEEE CCc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CC1CCN(CCN(C)C)CC1 1727602200 GQWMSPKCDGQOOR-UHFFFAOYSA-N 468.625 2.451 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCCOC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1740621156 UFFZQGVHOJLZID-QGZVFWFLSA-N 467.473 2.370 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)c1nc(-c2ccccc2)no1 1740657627 UPSBXKXPSQTQBP-ICSRJNTNSA-N 478.578 2.497 30 10 JEEE C#CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1CCC=CO1 1740679747 IUKIHQUEAMHXMR-GOSISDBHSA-N 458.588 2.325 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCC2(CC1)COC(=O)N2 1740751423 KCVLQLIWRBBCNL-FUHWJXTLSA-N 460.579 2.257 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(=O)COC)CC1 1740756178 ODGVUWPZRRGBRR-WZONZLPQSA-N 485.585 2.239 30 10 JEEE CC(=O)N1CCN(CCn2c(-c3ccc(OCCC(C)C)cc3)nnc2N2CCO[C@@H](C#N)C2)CC1 1741056244 DPMVABFTNOPRGP-DEOSSOPVSA-N 495.628 2.263 30 10 JEEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nncn2C)C[C@H]1NC(=O)OC(C)(C)C 1743243598 CLTICNZYNZBXMK-MAUKXSAKSA-N 463.546 2.343 30 10 JEEE C[C@H]1COCCN1CCn1c(CC(C)(C)C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1743363980 FXQXWBGEUWZTRV-IBGZPJMESA-N 452.607 2.181 30 10 JEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 1748718849 UTFQEKWHZUQZDX-MSOLQXFVSA-N 465.620 2.429 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nc2cc(Cl)ccc2s1 1748929517 LJLJIZISRHVOPF-MRXNPFEDSA-N 495.030 2.382 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCN1CCOC1=O 1748968798 LOPDBYPIXHIWQE-SFHVURJKSA-N 476.578 2.278 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1749114644 DSYDABMPDVGJNP-UHOSZYNNSA-N 473.578 2.447 30 10 JEEE C=CCCOCCn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1749447468 FLINTOBEVITINC-NRFANRHFSA-N 455.559 2.374 30 10 JEEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cccn(CC)c1=O 1749493365 CFDGWMNYIPILPV-SFHVURJKSA-N 458.563 2.439 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CCS(=O)(=O)C1 1749582155 BZNURLDMIZPZOV-HTAPYJJXSA-N 481.619 2.078 30 10 JEEE C=CCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCC(C(=O)NCCOC)CC1 1749626073 MKMVVZSMJQRNBJ-UHFFFAOYSA-N 479.585 2.230 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@H](C)O[C@H](C2CC2)C1 1749656059 YZQAMXBJXYIJFE-YWZLYKJASA-N 471.558 2.277 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCSC[C@H]1C 1749666697 PXKFLEURZBITFL-MRXNPFEDSA-N 467.599 2.309 30 10 JEEE Cc1cccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@@](C)(C#N)C2)c1 1751636682 CTHPGAYQYMUJDK-KNQAVFIVSA-N 458.588 2.098 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(Cl)c2c(c1)OCCO2 1760117839 URXRASXWRIOTJA-DZGCQCFKSA-N 450.948 2.111 30 10 JEEE C#CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(S(C)(=O)=O)CC1 1760138945 NCUGRNDAFPFYMB-IBGZPJMESA-N 495.646 2.403 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC1CCN(CCC)CC1)[C@@H]1CCS(=O)(=O)C1 1760187992 MPRPWNNFZYZFIL-RTWAWAEBSA-N 463.648 2.268 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCC1CC(OC(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1760190361 WFGMSYBYFLPOFS-SKINQDTJSA-N 474.631 2.289 30 10 JEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN(C)c1ccccc1 1760200942 YBWOPPWBHDIFRY-UHFFFAOYSA-N 461.595 2.447 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)s3)n2CC2([S@](C)=O)CC2)CC1 1760255448 IVEJDWYYFVUDBP-MHZLTWQESA-N 468.446 2.435 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2Cc2nnc(CC)s2)CC1 1760267057 SXZZWRHJFLIHEL-UHFFFAOYSA-N 495.609 2.390 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OC(C)C)CCOC2)n1CCS(=O)(=O)CC1CC1 1760290579 JUJKMXZVVDRQDQ-FGZHOGPDSA-N 450.605 2.136 30 10 JEEE C=CCCOCCn1c(-c2ccccn2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1760449010 XJCDRIJAWIKVIQ-UHFFFAOYSA-N 467.618 2.457 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(Cc3cccnc3)n2Cc2ccc(S(C)(=O)=O)cc2)C1 1760546031 HHROYANYSSFVMX-FQEVSTJZSA-N 453.568 2.497 30 10 JEEE CC(C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCOc1ncccc1F 1760933254 DPCSUDULGHOGTC-INIZCTEOSA-N 451.510 2.391 30 10 JEEE CCNC(=O)C1(Cn2c(-c3cccc(C#N)c3)nnc2N2C[C@@H](C)O[C@@H](COC)C2)CCC1 1765608797 FKRLSRIZJKUBAA-YLJYHZDGSA-N 452.559 2.363 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)C(=O)N[C@H](C(=O)O)[C@@H](C)CC)c(C(=O)OCC)c1C 1860760695 CXFGEFVFGNFTKM-GWCFXTLKSA-N 454.501 2.130 30 10 JEEE CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccccc1C(=O)O 1862608182 IRDDBXXMOXLBLO-FQEVSTJZSA-N 452.463 2.296 30 10 JEEE O=C(C1=C(O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1ccc(O)cc1)c1ccc2c(c1)OCO2 1862626066 SYGPYZZACMCIFN-JOCHJYFZSA-N 466.490 2.422 30 10 JEEE C=CCNS(=O)(=O)c1ccc2nc(NC(=O)[C@@H](Cc3ccc(O)cc3)NC(C)=O)sc2c1 1866111921 KJFIIKAPHNENPG-GOSISDBHSA-N 474.564 2.152 30 10 JEEE C[C@H](NC(=O)C[C@@H](c1cccc(Br)c1)c1nn[nH]n1)C(=O)Nc1ccc(C#N)cc1 1867248066 UZGHBYIRYDFYNR-SJCJKPOMSA-N 468.315 2.499 30 10 JEEE C=CCN(CC=C)c1nc(=NC(=O)c2ccc(OC(=O)OCC)cc2)n([C@@H]2CCS(=O)(=O)C2)[nH]1 1870002521 NSRUCAFMHNGFNH-QGZVFWFLSA-N 489.554 2.026 30 10 JEEE COc1cc(/C=N/n2c(CNC(C)=O)nnc2SCCO)ccc1OCc1ccccc1 1874435971 GOWDHESPEGZKJG-ZMOGYAJESA-N 455.540 2.468 30 10 JEEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)CCCN3C(=O)c4ccccc4C3=O)CC2)CC1 1890405932 PTNBHWIXVJTLEQ-UHFFFAOYSA-N 494.636 2.100 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CC[S@](=O)(=NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)C1 2255833876 IYHDNHOJBWPNBM-ZDUYTPDQSA-N 471.410 2.348 30 10 JEEE C[C@H](c1cscc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)[C@H](O)CNC(=O)OC(C)(C)C 2256613309 IJPXJOWKHZUQHZ-CZUORRHYSA-N 454.398 2.452 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)NCc2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2256742127 RYCLKFVVJHYPNK-OAQYLSRUSA-N 452.382 2.035 30 10 JEEE CC1(C)OB(c2nccnc2C(=O)N2CCC[C@H](NC(=O)OCc3ccccc3)C2)OC1(C)C 2264011228 PLGKLAIWBNYNQF-SFHVURJKSA-N 466.347 2.307 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NCCN2CCCN(C(=O)OC(C)(C)C)CC2)C1 2266535616 TZFPFMAGYMEJIF-UHFFFAOYSA-N 464.607 2.352 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC[C@@H](CNC(=O)C(F)(F)F)C1 2267137511 NQPLFXHCWVHPQX-LBPRGKRZSA-N 461.315 2.281 30 10 JEEE CC(C)(C)OC(=O)NCCO[C@@H]1CCN(C(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)C1 2267285502 JHUIIVQLVUZALP-OAHLLOKOSA-N 450.341 2.335 30 10 JEEE Cc1sc(C)c(S(=O)(=O)N[C@@H]2CON(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267468462 VTVUHWKCVJWIGY-AWEZNQCLSA-N 488.437 2.493 30 10 JEEE CON(CCNS(=O)(=O)c1ccc(F)cc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2267469554 XKFUSTTUBINUJH-UHFFFAOYSA-N 474.360 2.202 30 10 JEEE CON(CCNC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2267471088 DVSCYKHBTHTLTE-UHFFFAOYSA-N 474.360 2.202 30 10 JEEE Cc1cc(C(=O)N=c2nc(CNC(=O)OC(C)(C)C)[nH]s2)oc1B1OC(C)(C)C(C)(C)O1 2267529812 QFVLYVFIQLQHOV-UHFFFAOYSA-N 464.353 2.438 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2CO)s1 2267568727 SHNZPGJXUJXZFF-OAHLLOKOSA-N 466.409 2.410 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CCO1 2267718737 XEQRHISHVQYLJD-INIZCTEOSA-N 468.381 2.205 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H](NC(=O)OC(C)(C)C)CC23CCC3)n1 2282034614 KRKDEJMHSKOSAZ-OAHLLOKOSA-N 460.384 2.381 30 10 JEEE CCn1cc(C(=O)N(C)[C@H]2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)nc1B1OC(C)(C)C(C)(C)O1 2282045647 ZSZMDRYJCDPWMM-QLPKVWCKSA-N 460.384 2.140 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](O)CN(C(=O)c2cc(F)ccc2B2OC(C)(C)C(C)(C)O2)C1 2282398897 GWLMUMJHWPZURR-CVEARBPZSA-N 464.343 2.225 30 10 JEEE CN(C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1)[C@H](CNC(=O)OC(C)(C)C)C(F)(F)F 2282551890 MUDGNEMJNHHYMD-CYBMUJFWSA-N 476.305 2.247 30 10 JEEE CCc1nn(C)c(C(=O)N[C@H]2C[C@H](CNC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2282561300 YNSFILAQUCSNJC-SHTZXODSSA-N 462.400 2.315 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](CNC(=O)c3ncc(B4OC(C)(C)C(C)(C)O4)cn3)[C@H]2C1 2282611887 PVDFKZXCTHXCLH-IKGGRYGDSA-N 458.368 2.009 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)c3ncc(B4OC(C)(C)C(C)(C)O4)cn3)CC[C@H]2C1 2282625131 RCNXAOSCCLAUAG-HOTGVXAUSA-N 458.368 2.105 30 10 JEEE CC(C)[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2282704059 FSNGITRUBMCMMI-QGZVFWFLSA-N 460.384 2.493 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@H]1C[C@H]2NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2283071148 BFVLIUKQFZEVAL-QKPAOTATSA-N 458.368 2.197 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@@](O)(CC(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2284019572 ACOUNOKUWXEMBV-HSZRJFAPSA-N 461.368 2.471 30 10 JEEE COc1ccc(OCCCc2nnc(SCC(N)=O)n2N=Cc2ccc(O)c(OC)c2)cc1 2326250334 RJYRAKMEXCWMAB-UHFFFAOYSA-N 471.539 2.472 30 10 JEEE CC(=O)NCc1nnc(SCC(=O)Nc2ccc(F)cc2)n1N=Cc1ccccc1C(=O)O 2330733867 XYNVYFXSIYKRHR-UHFFFAOYSA-N 470.486 2.365 30 10 JEEE CC(=O)NCc1nnc(SCC(=O)NC2CCCCC2)n1N=Cc1ccc2c(c1)OCCO2 2330769955 HOKRLJSXICYHIA-UHFFFAOYSA-N 472.571 2.109 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N1CCc2scc(B3OC(C)(C)C(C)(C)O3)c2C1 2336501269 KEIWLXQSKZNAFF-INIZCTEOSA-N 466.409 2.208 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C2(CC2)C1 2362336005 CGPPQZOMQLTIMI-HNNXBMFYSA-N 460.384 2.381 30 10 JEEE Cn1cnc(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 2362454488 ZWKGFWYNVSYLRI-XUWVNRHRSA-N 460.384 2.141 30 10 JEEE CC(C)(C)OC(=O)NC[C@@]1(C)CN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CC1(F)F 2379682817 PGOBAFMHSSPRIU-FQEVSTJZSA-N 470.326 2.331 30 10 JEEE C=CCc1ccc(OCC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)c(OC)c1 14690718 ONONLLARXMUULR-UHFFFAOYSA-N 475.523 2.244 30 10 JEEE COc1cccc(C(=O)CSc2nnc(N/N=C/c3cc(OC)c(OC)c(OC)c3)n2N)c1 20827183 IHYMNWIMJYESID-FOKLQQMPSA-N 472.527 2.447 30 10 JEEE CCOC(=O)C1CCN(c2nc3c(c(=O)[nH]2)[C@@H](c2cccc(Cl)c2)[C@H](C#N)C(=O)N3)CC1 72444675 GCLJGQVFTPOWND-HOTGVXAUSA-N 455.902 2.427 30 10 JEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCC[C@H]3C(=O)Nc3nccs3)nnc12 506164938 QLHHHSRVCJRJSQ-INIZCTEOSA-N 495.590 2.409 30 10 JEEE COC(=O)CCCn1c(=C(C#N)C(=O)c2ccc(F)cc2)sc(=Cc2ccccc2)c1=O 514484104 GUODTTFZNWZCIL-UHFFFAOYSA-N 450.491 2.388 30 10 JEEE CC1(C)OB(c2ccc(I)c(S(=O)(=O)N3CCCC3)c2)OC1(C)C 725403264 RFHRSMDJHINACZ-UHFFFAOYSA-N 463.146 2.375 30 10 JEEE Cc1nn(C)c(C)c1CCC(=O)[C@@H](C#N)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 916948036 CIUNWLOOJLSZMF-OAQYLSRUSA-N 471.583 2.492 30 10 JEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1CN(CC(F)(F)F)C[C@H]1c1ccccc1 1142122926 AWCZDVAPMUXAGF-RYGJVYDSSA-N 480.512 2.372 30 10 JEEE C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@H]2CC(=O)N(C(C)(C)C)[C@@H]2c2cnn(C)c2)cc1 1166629457 MYNCEOYLUBPJKV-UTKZUKDTSA-N 473.599 2.003 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)c(C(=O)OCC)c1C 1264357591 TUPGFFBIQPFSQP-ZDUSSCGKSA-N 458.558 2.186 30 10 JEEE C#CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1286349766 NRAWTCMFNBYORC-RTBURBONSA-N 475.590 2.166 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCCN1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1286390020 VGXKQZGYTXHHIU-NRFANRHFSA-N 470.643 2.397 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1Cc1cccnc1OCC)[C@@H]1CCS(=O)(=O)C1 1286392986 DFFWDMYXZYLHSM-HXUWFJFHSA-N 499.568 2.465 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ncn(C)n1 1286455053 RGQGCKVUECBPFR-HSZRJFAPSA-N 453.522 2.274 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCCO2)n1Cc1ccc(N2CCC(CO)CC2)cc1 1286470018 ORRGTPJKDGQDOB-HSZRJFAPSA-N 453.587 2.473 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2CCCCN2CCN(CC)CC2)CC1 1286474552 MLJTZGUFQPLBBZ-UHFFFAOYSA-N 465.646 2.127 30 10 JEEE C#CCN1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1286484103 HRCSPHPMSCRAHT-LJQANCHMSA-N 459.641 2.069 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2CC[C@H](F)C2)CC1 1286487858 PYMODUVFSQMJLL-XLIONFOSSA-N 487.601 2.453 30 10 JEEE C=C(Br)Cn1c(COCC)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1286546490 AOSUECJKEUGJJI-AWEZNQCLSA-N 460.373 2.453 30 10 JEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCC(S(=O)(=O)c2ccccc2)CC1 1286612264 XQEDKZYDSUCGIL-UHFFFAOYSA-N 487.626 2.436 30 10 JEEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2cccc(OC)c2)C1 1286620570 OPVTVZQSDGESNY-YOEHRIQHSA-N 455.968 2.227 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCOc2ccc(F)c(F)c2)CC1 1286646535 SPFDPAVRXIHIFO-LJQANCHMSA-N 483.541 2.125 30 10 JEEE C=CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1COc2ccccc2O1 1286766686 VOEXRRRTSYACIN-QGZVFWFLSA-N 450.499 2.404 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCN(CC(F)(F)F)CC1 1286791733 ATWQCSKUOWKBRA-UHFFFAOYSA-N 452.481 2.152 30 10 JEEE Cc1nn(C)c(C)c1CN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H](C)N1CCOCC1 1290548545 DAGPLDPHNGTWAU-SFHVURJKSA-N 478.601 2.436 30 10 JEEE CC(C)[C@](C)(O)Cn1c(Cc2cccnc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1291194976 HYCBERSCYXQFHK-MHECFPHRSA-N 461.574 2.048 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC(=O)NCc1ccco1 1300318307 ZOTVRFIROBWNIE-OAQYLSRUSA-N 475.597 2.010 30 10 JEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(CC(F)(F)F)CC1 1300392092 ZDXYWBYETMDVEN-UHFFFAOYSA-N 455.506 2.446 30 10 JEEE C#CCN(c1nnc(-c2sc(-c3ccccc3)nc2C)n1CC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1300483311 KOUQLRPDUAGPOG-SFHVURJKSA-N 498.634 2.092 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1CC(C)(C)OCC)[C@H]1CCS(=O)(=O)C1 1300483661 MLYMZGIRPNFEPA-INIZCTEOSA-N 498.447 2.488 30 10 JEEE C#CCN(c1nnc(-c2cc(C)nc3ccccc23)n1CCN(C)CCOC)[C@H]1CCS(=O)(=O)C1 1300484093 RBJUEELJEXRZGZ-FQEVSTJZSA-N 496.637 2.007 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CCOC(C)C)[C@@H]1CCS(=O)(=O)C1 1300499859 YLVNHRVZXCZAHZ-MRXNPFEDSA-N 452.527 2.199 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CC(C)(C)N2CCCCC2)CC1 1300708097 MYJXPPBRAZEVPR-UHFFFAOYSA-N 469.659 2.289 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC)n2Cc2cccc(C(=O)N[C@@H](C)CC)c2)CC1 1300726860 SCAORMYSOQJLBY-SFHVURJKSA-N 450.587 2.383 30 10 JEEE C=C(C)COCCn1c(Cc2ccccc2OC)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1300994601 XHTGZUFLWOFRHS-RUZDIDTESA-N 482.585 2.285 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CCCOCC(F)(F)F)CC1 1301037873 ZNSWIWJLYYRYFK-AWEZNQCLSA-N 450.893 2.073 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CC[C@H](CN(CC)CC(F)(F)F)C1 1301491061 LHMFHQZIPWXSLC-MRXNPFEDSA-N 451.497 2.353 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1 1301500979 RZAXSPIZVFKRDN-LJQANCHMSA-N 472.977 2.438 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)c2ccccc2)C1 1301556700 JAJQGEZLJYIIGO-CEWLAPEOSA-N 475.615 2.196 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(NC(C)=O)nc2)C1 1301568529 UKTDISLHVYZLSM-ZJOUEHCJSA-N 456.547 2.185 30 10 JEEE CC(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCOC[C@H]2CCOC2)CC1 1301695851 GPAAWTNGTKQBDR-OAQYLSRUSA-N 452.559 2.319 30 10 JEEE C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCN(Cc2nnnn2-c2ccccc2)CC1 1307553126 FSCONEHLYBVWBZ-MRXNPFEDSA-N 450.934 2.332 30 10 JEEE C#CCCCCn1c(Cc2ccncc2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1358915269 XUMUGXTZNPBKOA-ZJSXRUAMSA-N 463.630 2.446 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1(S(C)(=O)=O)CCCC1 1358968334 ICNNYHXEAWREDP-UHFFFAOYSA-N 488.013 2.292 30 10 JEEE C=C(Br)Cn1c(C2CCC2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1359082406 HWWLBGZXNQWMKD-KBXCAEBGSA-N 451.413 2.443 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N1CCN(C[C@H](O)COc2ccccc2)CC1 1359083328 HVMNTACMBWANML-MOPGFXCFSA-N 492.418 2.253 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](C(=O)NC)C1 1359189618 PLNGOMLDJRHWSR-ROUUACIJSA-N 492.621 2.140 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N(C)Cc1ccc(N2CCOCC2)cc1 1359298627 HEMOAZCMZVWKIH-UHFFFAOYSA-N 461.570 2.424 30 10 JEEE CC(=O)NC[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCc2nc(C)no2)C1 1359438631 FLDOJIGUHFFSTE-HXUWFJFHSA-N 478.557 2.406 30 10 JEEE CC(C)(C)S(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(CCS(C)(=O)=O)C1CC1 1359586164 BOGGBBUAIOVHMP-UHFFFAOYSA-N 479.628 2.043 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2C[C@@H]2CN(CC(C)C)CCO2)c1 1507551217 VQJMYHWEOPPGJS-GGAORHGYSA-N 480.613 2.195 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1507628959 ZCOYZHMKNLWVFA-RTBURBONSA-N 474.583 2.158 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1cnnn1C 1507668581 ABFUFKGOPKTJCF-GOSISDBHSA-N 452.563 2.032 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C2CC2)ccc1F 1507671063 FTUXIQRDDLSYQD-QFIPXVFZSA-N 485.585 2.139 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](C)Sc2ccccc2)CC1 1507732877 YPXJVOOMDYGSRD-OALUTQOASA-N 459.641 2.116 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC(C)(C)C(F)(F)F)CC1 1507736490 QCIHEOXXIDOOBN-OAQYLSRUSA-N 471.524 2.485 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CC(C)(C)N2C[C@H](C)O[C@H](C)C2)CC1 1507736726 QRKUZZBXTZKZBS-KDURUIRLSA-N 467.618 2.127 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1507744237 PUTUDYYQYNJECS-LJQANCHMSA-N 490.655 2.032 30 10 JEEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1507753338 MBAZLOBWFXHIKK-IBGZPJMESA-N 488.683 2.185 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1507792484 YQQYXRBKTIPMPT-UWJYYQICSA-N 470.549 2.390 30 10 JEEE C=C(C)CN(CC)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1507806449 IDNUBYMXGBEKKV-ROUUACIJSA-N 452.625 2.023 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1507825399 WEJMKMLJSNRQGT-GOSISDBHSA-N 460.604 2.076 30 10 JEEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1507928181 BSYZKVZGERWCAA-UHFFFAOYSA-N 475.557 2.102 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1N1CCCCC1 1507980020 DTXVYDVXFVGAMP-NRFANRHFSA-N 474.631 2.272 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)C1CCC1 1508131602 NRFBTTXGWNTXGB-UHFFFAOYSA-N 451.980 2.451 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 1524836390 WGEFDTFQXNOEBF-PXNSSMCTSA-N 451.545 2.401 30 10 JEEE C=CC[C@H]1CCN(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)C1 1533762079 GLHXIBJDXQOZFZ-KRWDZBQOSA-N 453.992 2.378 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCNS(=O)(=O)Cc1ccon1 1539005344 YWNQIOKDCGPOTP-MRXNPFEDSA-N 481.538 2.166 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2Cc2cccc(CS(C)(=O)=O)c2)CC1 1539481741 NKVYGQFGMKKUHO-UHFFFAOYSA-N 485.654 2.425 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCOc1ccc(Cl)cc1 1539705104 PARXGCBMUPVQBR-GOSISDBHSA-N 469.995 2.356 30 10 JEEE C=CCCOCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1540036325 MBTNPQKXQKUJFM-IBGZPJMESA-N 457.579 2.198 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)CN1CCOCC1 1540129824 ZWXMFNWFUCLUNH-NZQKXSOJSA-N 498.653 2.213 30 10 JEEE C#Cc1cccc(NC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c2cccc(C(F)(F)F)c2)c1 1540260005 IVQCMABZIYVPSZ-KRWDZBQOSA-N 453.442 2.238 30 10 JEEE CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCCO2)CC1 1545712843 HSBFJSGUUMYVMM-UGKGYDQZSA-N 465.602 2.423 30 10 JEEE C#CC[C@H](CO)NC(=O)c1ccc(Br)c(S(=O)(=O)N(C)c2ccccc2)c1 1556832768 HYPZSMXSVVOQQU-OAHLLOKOSA-N 451.342 2.388 30 10 JEEE C=CC1(CC(=O)N2CCNC(=O)[C@H]2c2c(C)nc3ccccn23)CN(C(=O)OC(C)(C)C)C1 1567673357 VWKDSJBLAGAMBI-HXUWFJFHSA-N 453.543 2.455 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2C[C@@H]2CCCCS2(=O)=O)c1 1587690066 YHEJHJRPPTUOGX-FQEVSTJZSA-N 480.594 2.307 30 10 JEEE C#CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCS(=O)(=O)CC 1587765189 CBTZZVVBSRQHMX-GOSISDBHSA-N 483.635 2.261 30 10 JEEE C#CCCCn1c(CCc2ccccc2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1587872706 QPKYETYQHYNRNL-QFIPXVFZSA-N 471.627 2.108 30 10 JEEE C#CCCCn1c(CCOc2ccccc2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1587879573 WHHVVWAYCCQGIU-JOCHJYFZSA-N 464.614 2.446 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H](c1cccs1)N(C)C)[C@H]1CCS(=O)(=O)C1 1588054198 LJCPAVKHHFTBQZ-QYZOEREBSA-N 477.656 2.163 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@H](OC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1588069451 OHNAWYGQGUVQLN-CTNGQTDRSA-N 460.600 2.463 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2Cc2cccc(OCC(=O)N(C)C)c2)CC1 1588885250 TXSKMJKQJIVWEV-UHFFFAOYSA-N 480.613 2.057 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCN(C(=O)OCC)CC2)nnc1[C@@]1(OCC)CCOC1 1589582195 ZKKKAGYOBNBIMW-SFYKDHMMSA-N 463.579 2.190 30 10 JEEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H](C)CS(=O)(=O)CC 1593637128 XOMBJBZBKNMLGO-IAGOWNOFSA-N 471.624 2.422 30 10 JEEE C=C(Cn1c(C(=O)N2CCCC2)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1)c1ccccc1 1593776008 GOVABQOCAISNSJ-OAQYLSRUSA-N 487.626 2.258 30 10 JEEE C=C(Cl)Cn1c(-c2noc3c2COCC3)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1593873146 RQFCTDREBXHFEW-AWEZNQCLSA-N 480.953 2.488 30 10 JEEE C=C(Cl)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1593914898 RLSDCLVLNAATRU-UHFFFAOYSA-N 487.004 2.497 30 10 JEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cc(Cl)ccn1 1594732646 GPMWCWXRAUOGMJ-KRWDZBQOSA-N 454.984 2.262 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CCCC1 1595116686 UNPQDXCBGYANKE-FQEVSTJZSA-N 475.615 2.109 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2OCC[C@H]2COC)n1CC(=O)N1CCOCC1 1595120297 QGJAFOTYHXDCDE-UNMCSNQZSA-N 455.559 2.054 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCOC2(CCOCC2)C1 1595475730 FEQXZIVBRXEFIG-KRWDZBQOSA-N 459.522 2.245 30 10 JEEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N(C)CCN1CCOC(C)(C)C1 1595530210 WRZDCJCFCIQLKT-UHFFFAOYSA-N 465.602 2.286 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1595831157 MIEYHYNQYFEKAU-LVBDUCALSA-N 482.647 2.182 30 10 JEEE C#CCN(C(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)[C@@H]1CCCc2ccccc21 1597625567 ARCZTQQIGDAZAA-JOCHJYFZSA-N 453.564 2.206 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC[C@H](C)N1CCCCC1 1608578865 HYTFZXFOTYYVKQ-VQTJNVASSA-N 494.648 2.058 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1Cc1ccc(N2CCOC2=O)cc1 1611684102 GMXDDDKBQBKAHC-MRXNPFEDSA-N 487.586 2.023 30 10 JEEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1Cc1ccc(OCCN(C)C)cc1 1614028527 GSXLCSPODBTXDA-IBGZPJMESA-N 475.601 2.206 30 10 JEEE C#CCN(C(=O)c1cccc(-n2[nH]nnc2=N)c1)[C@@H]1CCOc2ccc(Br)cc21 1617601507 SREKIFBIEOGCBO-QGZVFWFLSA-N 453.300 2.437 30 10 JEEE C=C1CN(C(=O)c2cccc(S(=O)(=O)N(C)c3c(C)n(C)n(-c4ccccc4)c3=O)c2)C1 1629145702 XMUVMOMPFIOUNN-UHFFFAOYSA-N 452.536 2.322 30 10 JEEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCN(c3cc(OC)cc(OC)c3)C2=O)c1 1630768477 PZJKQIGVIXNUQR-OAQYLSRUSA-N 456.520 2.036 30 10 JEEE CCCNC(=O)OC[C@@H]1CCCCN1C(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 1636013353 CXORDVCIUYZUIL-CVEARBPZSA-N 450.561 2.021 30 10 JEEE Cc1c(C#N)c(NC(=O)CN2CCN(CC[S@](C)=O)CC2)n(Cc2ccc(F)cc2)c1C 1653584641 CLOTUYKKEZGMSK-YTTGMZPUSA-N 459.591 2.099 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@](C)(O)C1CC1)[C@H]1CCS(=O)(=O)C1 1689980895 ZBIFHQUMVVBRRI-NVVBAYIOSA-N 476.574 2.345 30 10 JEEE C#CCN(c1nnc(-c2ccc(OCC)c(OC)c2)n1Cc1cc(C)on1)[C@H]1CCS(=O)(=O)C1 1689984852 WYYJVZJOENGEQC-IBGZPJMESA-N 485.566 2.324 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccccc1CN(CC)CC)[C@H]1CCS(=O)(=O)C1 1689988590 RZJJEUCQHSQGQC-QHCPKHFHSA-N 495.653 2.195 30 10 JEEE C#CCN(CC#C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC1(C(N)=O)CCOCC1 1690002009 XBBPBQSPMNUVTH-KRWDZBQOSA-N 455.946 2.426 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCC2(COC)CCC2)CC1 1690115083 QPWWLTRMFNFDAV-UHFFFAOYSA-N 471.627 2.311 30 10 JEEE C#CCN1CCN(c2nnc(-c3nn(CCC)c(=O)c4ccccc34)n2C[C@H](C)COC)CC1 1690122069 DWBDKJOSNSTGSD-IBGZPJMESA-N 463.586 2.103 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCCc2ccnc(C(C)(C)C)n2)CC1 1690146401 MWCPJXSSZGEBLT-HXUWFJFHSA-N 479.629 2.468 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2Cc2cc(OC)ccc2OC)CC1 1690153814 BUIJMURVEICRFL-OAQYLSRUSA-N 453.543 2.161 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(OC)cc2)CC1 1690154713 XDFCJYRKPBJYHZ-UNMCSNQZSA-N 467.570 2.025 30 10 JEEE C#CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(CC(C)C)C(=O)C1 1690172578 JMVYGHHTSWJTDK-UHFFFAOYSA-N 482.658 2.123 30 10 JEEE C=C(Cl)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1690335635 DETNDRBACJBQHC-UHFFFAOYSA-N 479.368 2.287 30 10 JEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C[S@](C)=O)cc2)CC1 1690396521 FFBMLMNRINBKMK-DFYVNMARSA-N 465.645 2.218 30 10 JEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C[S@](C)=O)cc2)CC1 1690396522 FFBMLMNRINBKMK-JTBPQFFMSA-N 465.645 2.218 30 10 JEEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CN(CC(C)C)CCO1 1690522932 PTRWEBHQEPDGDM-SFHVURJKSA-N 461.636 2.217 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ccc(Cl)cc2)C1 1690699980 MDCGOTQKHHXXIL-PMACEKPBSA-N 496.033 2.288 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1690720148 ZQFJDWKSHNBQLN-OALUTQOASA-N 476.599 2.426 30 10 JEEE COC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1)OC 1697756905 HQLJTTJMPDFSQV-QHCPKHFHSA-N 495.628 2.049 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1CCc1ccc(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1705559450 ATJSTMMOSYTZKR-SFHVURJKSA-N 460.600 2.462 30 10 JEEE C#CCN(c1nnc([C@H](C)OCCOC)n1CC12CCC(CC1)C2)[C@H]1CCS(=O)(=O)C1 1705561667 VSGIJVDLHVROIC-DMONPFRGSA-N 450.605 2.209 30 10 JEEE C#CCN(c1nnc(-c2cn(C)c3ccccc23)n1CCCCOC)[C@H]1CCS(=O)(=O)C1 1705565359 GZXQTBCNPZSKKK-SFHVURJKSA-N 455.584 2.490 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(C#N)o1 1705582688 HMLDUHQJLYUDQY-IBGZPJMESA-N 450.499 2.172 30 10 JEEE C#CCN(CCOC)c1nnc(COc2cc(C)ccc2C)n1C[C@@H]1CCCS(=O)(=O)C1 1705630486 VAIFXTRPUJFKGL-FQEVSTJZSA-N 460.600 2.385 30 10 JEEE C#CCSCCn1c(N2CCN(CC(F)(F)F)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1705665060 JDWUIZWLJVNTBV-LJQANCHMSA-N 461.554 2.369 30 10 JEEE C=CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC1CCS(=O)(=O)CC1 1705846471 HTOYPKCXBKNOHN-UHFFFAOYSA-N 472.659 2.090 30 10 JEEE C=CCn1c(C(=O)NC(CC)CC)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1705886056 PFCWCQBGHKWFTM-UHFFFAOYSA-N 460.604 2.035 30 10 JEEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1705888065 CNCMINUELYRNQE-GOSISDBHSA-N 474.631 2.071 30 10 JEEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCCCC1=O 1711085453 HYZPNEPDKMDZMA-FQEVSTJZSA-N 470.599 2.091 30 10 JEEE C#CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1722325823 OUMAYUSKTOHIOR-HSZRJFAPSA-N 481.601 2.498 30 10 JEEE C#CCN(c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCC(=O)NC)[C@@H]1CCS(=O)(=O)C1 1722363314 FINRHYIVTQSFKW-OAQYLSRUSA-N 494.621 2.115 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CC(C)(C)N2C[C@H](C)O[C@H](C)C2)CC1 1722449798 ZPBRUFRBEJYZHX-OYRHEFFESA-N 493.656 2.118 30 10 JEEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN2C(=O)OC[C@H]2C1 1722452962 URVMEFWGRMLLPP-CYBMUJFWSA-N 451.350 2.043 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCS(=O)(=O)Cc2ccccc2)CC1 1722581672 KNPQIXIAEBYDBX-HXUWFJFHSA-N 478.640 2.198 30 10 JEEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCOc1ncccc1F 1722632508 WSAJXKGOIQJXID-UHFFFAOYSA-N 460.535 2.431 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1CCC(O)CC1 1722659911 HBOVHAKTBDUCSZ-HXUWFJFHSA-N 491.633 2.359 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCC2(CC1)CNC(=O)C2)C(C)C 1722663281 UGLSYFXHYUCTMF-OAQYLSRUSA-N 483.661 2.319 30 10 JEEE C=CCOc1ccc(Cn2c(N3CCN(C(=O)NCC)CC3)nnc2[C@@]2(OCC)CCOC2)cc1 1722733628 ZHTNDRWACSTPLP-RUZDIDTESA-N 484.601 2.395 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1coc(-c2ccc(C)cc2)n1 1740554394 YXVDTZBKSBSAFH-XLIONFOSSA-N 484.582 2.081 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1CCCOc1ccccc1C)[C@H]1CCS(=O)(=O)C1 1740622287 BLLKOIRZRLHLDP-IBGZPJMESA-N 466.567 2.139 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCCSc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1740622317 XCBPUIDDVKMLKN-LJQANCHMSA-N 470.624 2.488 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccnc2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1740758592 ZMNWVBNCYINYAH-RRPUWOKSSA-N 467.618 2.358 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1740759648 KCXHWODBVVNTSB-KNQAVFIVSA-N 453.591 2.278 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)nnc1C(C)(C)C 1740766974 LXTIPXWZSYIXEY-ICSRJNTNSA-N 491.662 2.110 30 10 JEEE C=CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1740865417 NIMRRNWSZHCHGZ-SFHVURJKSA-N 472.615 2.454 30 10 JEEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC=C(c2ccccc2)C1 1740888737 VNUGBCPJOCXDLJ-QFIPXVFZSA-N 487.626 2.497 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1740962018 PKTSWGLJUZBAEY-UHFFFAOYSA-N 464.549 2.044 30 10 JEEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 1741001199 NQCUVLXLSHGTKP-INIZCTEOSA-N 460.629 2.481 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CCCOC1CCCC1)[C@@H]1CCS(=O)(=O)C1 1748819619 QFRKYCSBMYJZRJ-HXUWFJFHSA-N 457.600 2.240 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(O)CCOCC1 1748962400 GXFZUZCRQSLKOO-LJQANCHMSA-N 477.606 2.020 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCc2cccc(C)n2)CC1 1749001705 ZHIMGWCYPQESMZ-UHFFFAOYSA-N 486.580 2.227 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H](OC)C(C)(C)C)CC1 1749003447 KIOGLNYCUWTAHJ-CJFMBICVSA-N 475.634 2.346 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2CCCCN2CCOCC2)CC1 1749006177 JWNPNTPVAJMRSA-UHFFFAOYSA-N 480.613 2.032 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CC2CCC(OC)CC2)CC1 1749017042 UDFLTHSIEGABCY-UHFFFAOYSA-N 450.587 2.435 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CC(C)(C)C(=O)NC)CC1 1749019469 VOOMLBKHFVPBJC-UHFFFAOYSA-N 480.613 2.212 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)OC)CC1 1749020015 IJBXZHBMEIQPTP-UHFFFAOYSA-N 456.572 2.402 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1749134491 ZMJNBZNBCVFIKU-LFAGZIFBSA-N 481.645 2.282 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCNS(C)(=O)=O 1749171267 TXMKDVMAEQGHAW-IYBDPMFKSA-N 456.613 2.000 30 10 JEEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2cc(F)ccc2OC)CC1 1749193988 VYQQWIAAQAVGKI-QGZVFWFLSA-N 463.579 2.226 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1749717897 QJHNEAVBIWTESE-CTNGQTDRSA-N 475.615 2.228 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@@H](C)CC[C@@H]1C 1749726785 DPXVFJXKIGWRMM-IRXDYDNUSA-N 456.576 2.146 30 10 JEEE C[C@H]1OCC[C@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1752447738 FIPUDWQLLVTJHJ-XKPFWTEKSA-N 468.558 2.460 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2Cc2ncc(CC)s2)c1 1760128230 CBDXHIGDMIDSNX-SFHVURJKSA-N 463.567 2.353 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@@H]1CCCN(C(C)=O)C1)[C@H]1CCS(=O)(=O)C1 1760191973 ORKNBTNHMJIRDZ-YADHBBJMSA-N 499.637 2.051 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccc(OCC)c2OC(F)F)CC1 1760251813 HYYHNTRYHAZYNX-UHFFFAOYSA-N 476.528 2.220 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2CCCOC2CCOCC2)CC1 1760254991 SCYPFPARGYDYEZ-UHFFFAOYSA-N 491.434 2.387 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2Cc2cc(C)on2)CC1 1760267442 MBFMEKKZRYTETO-UHFFFAOYSA-N 464.526 2.273 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCc2nc(C)c(C)s2)CC1 1760268891 QVICNFPAQZRFAB-UHFFFAOYSA-N 450.572 2.017 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCS(=O)CC1 1760313061 IHNWTTZKVYSILU-HKUYNNGSSA-N 478.018 2.411 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@]1(O)CCS(=O)(=O)C1 1760339195 ZVOVXHNVKLQBGT-MBSDFSHPSA-N 497.662 2.345 30 10 JEEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C)C(C)(C)C1 1760358616 XKHRPMRSOKEQSY-QZTJIDSGSA-N 455.625 2.076 30 10 JEEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](COC)C1 1760374111 IMULRKRIRBIJQI-HOTGVXAUSA-N 457.959 2.191 30 10 JEEE C=C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCC2(O)CCOCC2)CC1 1760384207 NWFSVVAODXNMTO-UHFFFAOYSA-N 475.615 2.283 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cnccn2)n1CCN1CCN(C(C)=O)CC1 1760478094 VBUNIXHLRZKJAG-UHFFFAOYSA-N 476.585 2.100 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](CNC(C)=O)C1 1760528582 HBDAVXZTQRSNDM-OALUTQOASA-N 489.621 2.005 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1760532065 JXBNOPMPYZBSDH-ZDWTUXFCSA-N 475.615 2.363 30 10 JEEE CN(C)[C@]1(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC[C@](C)(C#N)C2)CCSC1 1766900900 GAZNDXAHKWZFMJ-YADHBBJMSA-N 454.604 2.493 30 10 JEEE COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2C[C@@H](C)O)cc(OC)c1OC 1862612084 APGXHXARRBLUST-ASSNKEHSSA-N 485.489 2.443 30 10 JEEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1862762207 DOOUEQOWZDSQRQ-JEOXALJRSA-N 485.405 2.233 30 10 JEEE Cc1ccc([C@H](C#N)NC(=O)[C@@H](CO)NC(=O)c2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)cc1 1867528537 ZYNFLGRSEMVHEO-XZOQPEGZSA-N 488.544 2.396 30 10 JEEE C=CCn1cc(OCC(=O)N2CCOCC2)c(=O)cc1CNc1ccc(N2CCCC2)cc1 1871034556 UUJSXYZIYIKPQN-UHFFFAOYSA-N 452.555 2.484 30 10 JEEE COc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)C(=O)Nc3cccc(C#N)c3)CC2)cc1 1873866963 PCQGWNQRRBAMSW-INIZCTEOSA-N 470.551 2.111 30 10 JEEE COC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)(C)C)C2)n1/N=C/c1ccc(C(=O)O)cc1 1874277718 CZJHFWVNELXIKO-GTQIFZCBSA-N 459.528 2.238 30 10 JEEE CCOc1c(/C=N/n2c(CNC(C)=O)nnc2SCC(=O)OCC(C)C)cccc1OC 1874435329 ZNCARSKMGQUWFY-AUEPDCJTSA-N 463.560 2.495 30 10 JEEE Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CCC(=O)N1CCC(N(C)c2cc(C#N)ccn2)CC1 1891209633 DSFGAWKCSNDPOU-OAQYLSRUSA-N 484.626 2.186 30 10 JEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(S(N)(=O)=O)cc1Br 2181129148 FUYIPBSIBXTPGX-AWEZNQCLSA-N 460.350 2.342 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C[C@@H](O)C1 2255539220 WNPUBYFVIADYFD-CQSZACIVSA-N 452.382 2.101 30 10 JEEE CN(C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)[C@H]1CC[C@@H]1NC(=O)OCc1ccccc1 2255643013 OJWPURBHGKCJOX-OALUTQOASA-N 466.347 2.305 30 10 JEEE Cc1cc(C(=O)N2C[C@@H](O)C[C@@H](NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2267150858 FVFHYXMOKWFOEK-CABCVRRESA-N 466.409 2.456 30 10 JEEE CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1CNC(=O)c1ccsc1B1OC(C)(C)C(C)(C)O1 2267166955 ZHVLUWZNTWMMPM-HNNXBMFYSA-N 465.425 2.328 30 10 JEEE CC(C)(C)OC(=O)N1CCC(CO)(NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)CC1 2267562039 XKWQOEUUNCOWQZ-UHFFFAOYSA-N 450.341 2.071 30 10 JEEE C=C(CS(=O)(=O)NC[C@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1)B1OC(C)(C)C(C)(C)O1 2267719334 FIAZPUUKGYTPRE-MRXNPFEDSA-N 472.413 2.262 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@@H](NC(=O)c2ccc(F)c(B3OC(C)(C)C(C)(C)O3)c2)C1 2281787173 ZEZDAQSJMRHHAW-INIZCTEOSA-N 464.343 2.491 30 10 JEEE CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H]2CNC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2281980265 SUVGOLCRARRRLO-HNNXBMFYSA-N 460.384 2.476 30 10 JEEE Cc1nc(C(=O)N2CCC[C@](CO)(NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2282021433 MIOBVWIPFRLYAF-QFIPXVFZSA-N 481.424 2.243 30 10 JEEE Cn1cc(C(=O)NC2[C@H]3CC[C@H]2CN(C(=O)OC(C)(C)C)C3)nc1B1OC(C)(C)C(C)(C)O1 2282037402 VFISXZVCZNFEII-GJZGRUSLSA-N 460.384 2.095 30 10 JEEE CCn1cc(C(=O)N[C@H]2CSCCN(C(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2282038533 JSBFVBZXQMMUKY-OAHLLOKOSA-N 480.440 2.285 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@](F)(CNC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2282177714 IVLCDVZXUBNOPZ-QFIPXVFZSA-N 464.347 2.245 30 10 JEEE CC1(C)OB(c2cccc(S(=O)(=O)NC[C@@H]3COCCN3Cc3ccccc3)c2)OC1(C)C 2282347211 UUMVMCCGEIPXPW-OAQYLSRUSA-N 472.416 2.165 30 10 JEEE C[C@H]1CN(S(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)[C@H](C)CN1C(=O)OC(C)(C)C 2282350856 SPBISTCHNATWNI-JKSUJKDBSA-N 481.424 2.399 30 10 JEEE CC1(C)OB(c2c(F)cccc2C(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)OC1(C)C 2282403818 YLEORXCLYQIRPM-RUZDIDTESA-N 454.351 2.492 30 10 JEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2282473815 QGFKVYLFUKBRBC-QZTJIDSGSA-N 464.343 2.489 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1[C@H]2CC[C@H]1N(S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1)C2 2282488424 AXFJJKIEXCBSRC-NUEKZKHPSA-N 499.464 2.260 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC23CCC3)n1 2282530010 OEEKNIQYELRBTD-INIZCTEOSA-N 460.384 2.239 30 10 JEEE Cn1cc(C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C(F)(F)C2)nc1B1OC(C)(C)C(C)(C)O1 2282555636 WLTHXVBVLZHRMO-AWEZNQCLSA-N 470.326 2.094 30 10 JEEE Cc1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C(=O)O)oc1B1OC(C)(C)C(C)(C)O1 2282584089 RFRDHMMARBXRPW-AWEZNQCLSA-N 464.324 2.033 30 10 JEEE CC(C)(C)OC(=O)N1CCCO[C@@H](CNC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2282667725 UUTRHLAFFVKALO-INIZCTEOSA-N 461.368 2.137 30 10 JEEE C[C@H]1CCN(Cc2ccccc2)CCN1S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282861100 KIXGXIPICDFMNI-SFHVURJKSA-N 474.436 2.004 30 10 JEEE CC(C)(C)OC(=O)N1CC(O)(CNC(=O)c2cc(F)c(B3OC(C)(C)C(C)(C)O3)cc2Cl)C1 2282977011 XLAKMHUSEVLKJM-UHFFFAOYSA-N 484.761 2.490 30 10 JEEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)C(=O)CC1(O)CN(C(=O)OC(C)(C)C)C1 2283956639 LFKDBYNDZCPDET-UHFFFAOYSA-N 460.380 2.316 30 10 JEEE CC(=O)NS(=O)(=O)c1ccc(NC(=O)C(=O)C=Cc2ccc(Cl)c([N+](=O)[O-])c2)cc1 2318788865 UAMLMXGIZUNAFH-UHFFFAOYSA-N 451.844 2.294 30 10 JEEE CN(C(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1F 2320552490 CLYNGEGZSRRXCO-ZIAGYGMSSA-N 455.361 2.472 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@H](C(=O)N3CC[C@H](B4OC(C)(C)C(C)(C)O4)C3)O[C@@H]2C1 2342470066 JXRMHHRKXJRRPM-MWDXBVQZSA-N 452.357 2.084 30 10 JEEE Cn1cc(C(=O)N2C[C@@H]3C[C@H]2C[C@H](NC(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)n1 2359268097 UKVRQHLABPYJGL-XHSDSOJGSA-N 460.384 2.237 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2(C)C)n1C 2362491015 YXDXOZGLLFVWBR-GJZGRUSLSA-N 462.400 2.449 30 10 JEEE COc1nc(N2CCN(C(=O)OC(C)(C)C)C[C@@]2(C)CO)ccc1B1OC(C)(C)C(C)(C)O1 2365346434 UEWKVWYGQPGBMV-QHCPKHFHSA-N 463.384 2.198 30 10 JEEE Cn1nc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H]3CCC[C@H]32)cc1B1OC(C)(C)C(C)(C)O1 2367686944 MBJPHJLVQZXSNF-SJORKVTESA-N 460.384 2.333 30 10 JEEE COc1ccc(OC)c(NC(=O)CSc2nnc(N/N=C/c3ccc(OC)c(OC)c3)n2N)c1 20292857 HALKOXFZYSGHKV-FOKLQQMPSA-N 487.542 2.203 30 10 JEEE COc1ccc(CNC(=O)CSc2n[nH]c(N/N=C/c3ccc(O)cc3O)n2)cc1OC 58994153 IKXDCVHEPUUFFC-LSHDLFTRSA-N 458.500 2.088 30 10 JEEE C=CCON1C(=O)C[C@@H](C(=O)OC)C12CCN(Cc1ccc(Sc3nncn3C)o1)CC2 72143322 AYMBZAWEAPZUPP-INIZCTEOSA-N 461.544 2.033 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1CCN(c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CC1 204870685 DYQMEAZNKOCDEP-INIZCTEOSA-N 489.426 2.022 30 10 JEEE Cn1c(O)nc(=O)c2c1nc(NN=C/C=C/c1ccccc1)n2C[C@H](O)COc1ccccc1 254862369 ROSYVEXWZIQEIQ-FAINENQTSA-N 460.494 2.387 30 10 JEEE CCn1cc(Br)cc1C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 511120315 KSPIVAYSGLTUOX-UHFFFAOYSA-N 451.346 2.289 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(CC(=O)N4CCCc5ccccc54)CC3)cc2C1=O 517519523 FWJRTNKTPONKKI-UHFFFAOYSA-N 472.545 2.206 30 10 JEEE N#Cc1ccc(CNC(=O)C(=O)N2CCc3cc(S(=O)(=O)N4CCCCC4)ccc32)c(F)c1 609255628 GUIYBIDNQFWXPF-UHFFFAOYSA-N 470.526 2.077 30 10 JEEE C#CCN(C(=O)CSc1nnc(-c2ccc(F)cc2)n1C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 729331954 RZYUWWUHZRFWHZ-RBUKOAKNSA-N 492.598 2.004 30 10 JEEE CC#CC[C@H](NC(=O)[C@H](CN(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 757211735 OESJPWCOBGLLMC-GOTSBHOMSA-N 463.534 2.438 30 10 JEEE C#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](CC(=O)OC)C(=O)O 757379402 CASIBOACKHTRSV-SFTDATJTSA-N 464.474 2.050 30 10 JEEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)NCCNC(=O)NC)c1 1162812069 BYGMROUOHJUFDN-UHFFFAOYSA-N 450.948 2.380 30 10 JEEE Cc1nn(C)c(N2CCN(S(=O)(=O)CCc3ccccc3Br)CC2)c1C#N 1211535754 GJRIQQBSQXBVGW-UHFFFAOYSA-N 452.378 2.057 30 10 JEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 1286343596 XBTPZUYCFAQSCM-SJORKVTESA-N 468.624 2.043 30 10 JEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(c2cc(OC)cc(OC)c2)CC1 1286344026 XXXUSCQQFVVOOH-GOSISDBHSA-N 490.630 2.036 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H](Cc1ccccc1)OC)[C@H]1CCS(=O)(=O)C1 1286387691 UDACRYVIXUIYIW-SFTDATJTSA-N 465.579 2.225 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H](OC)[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1286388923 WYTYLGZECUGOEG-JLMWRMLUSA-N 488.610 2.404 30 10 JEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccnc(OC2CCOCC2)c1 1286415358 JRWDIEZSKWCMFK-UHFFFAOYSA-N 490.589 2.344 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(Br)c[nH]2)n1CC1(S(C)(=O)=O)CC1 1286418663 NXKJTPYZFJCRJA-UHFFFAOYSA-N 450.362 2.076 30 10 JEEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCOC2(CCOCC2)C1 1286512948 ZKGSHGLTMYRMRV-UHFFFAOYSA-N 461.613 2.022 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1n[nH]c(C)n1 1286758173 FZASPRKSFRUYGS-KRWDZBQOSA-N 458.567 2.434 30 10 JEEE C=CCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1286771215 CAMXLMIDMRIKDF-UHFFFAOYSA-N 454.575 2.283 30 10 JEEE C=CCOc1ccc(Cn2c(-c3ccccn3)nnc2N2CCN(S(C)(=O)=O)CC2)cc1 1286794670 NVMCYGTVEMLDQK-UHFFFAOYSA-N 454.556 2.035 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(CC(=O)Nc2c(C)cccc2C)CC1 1286818040 SEZIQZFYLSWXOQ-UHFFFAOYSA-N 488.658 2.380 30 10 JEEE C=CCSCCn1c(CC(C)(C)C)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1286831288 CFXRBKMHIPQISO-GOSISDBHSA-N 471.693 2.417 30 10 JEEE Cc1cc(CN2CCN(c3nnc(-c4ccc(C#N)cc4)n3CCNC(=O)C(C)C)CC2)no1 1289407851 HIZSSVRWSUPOOI-UHFFFAOYSA-N 462.558 2.208 30 10 JEEE CC[C@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC2(CC1)COC(=O)N2 1291794952 DVMIXIXNOUJWTQ-INIZCTEOSA-N 451.531 2.200 30 10 JEEE CC[C@@H]1CCCCN1CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C(N)=O)C1 1293377171 FVDGQKMKJPTJAL-VQTJNVASSA-N 451.575 2.305 30 10 JEEE CCC[C@@H](C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1293849484 BRRZSDAOIMNUAW-APWZRJJASA-N 451.531 2.010 30 10 JEEE CCn1cccc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)c1=O 1295938746 HUHNIUXDDZXNAT-FQEVSTJZSA-N 466.567 2.060 30 10 JEEE CCOCc1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@@H]1CN(CC(C)C)CCO1 1297278683 DGACEJRKZGZGPL-QFIPXVFZSA-N 467.618 2.370 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H]1OCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1300489260 KNWWZUMRNDUXET-HGHGUNKESA-N 474.583 2.014 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1CC(O)(CC)CC)[C@H]1CCS(=O)(=O)C1 1300499414 RHGJQFXUSKDBAB-IBGZPJMESA-N 460.600 2.055 30 10 JEEE C#CCN(CC#CC)c1nnc(COc2cc(C)cc(C)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1300590624 CIXJWKSPMDHUMF-IZHYLOQSSA-N 472.549 2.463 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(F)(F)F)c1 1300671476 JOLPSEUZGFZYSR-MRXNPFEDSA-N 456.490 2.333 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC2([S@](C)=O)CC2)CC1 1300711835 IOOOQQKSXTWELH-WGLOFEKDSA-N 487.601 2.434 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1300844751 SFSCIHZMSDOCSK-AHRSYUTCSA-N 495.466 2.460 30 10 JEEE COC[C@H](Cn1c(Cc2ccccn2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1)OC 1301022882 HCJHKTLMSFRXRS-QHCPKHFHSA-N 461.570 2.119 30 10 JEEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(c2ccccc2)CC1 1301043881 FEKHLFWRBKBNBH-LJQANCHMSA-N 481.022 2.080 30 10 JEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1Cc2ccccc2O[C@@H](C)C1 1301223007 LEDKKBFPAJIBJC-FXAWDEMLSA-N 461.588 2.365 30 10 JEEE C=CCCOCCn1c(-c2cccnc2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1301248702 KBFQGTVIGWQNMK-NFBKMPQASA-N 467.618 2.312 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(c2cnn(C)c2)CC1 1301484522 HSPJYYHPKVKXQN-UHFFFAOYSA-N 450.503 2.273 30 10 JEEE CC(=O)N1CCN(CCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC(CC#N)CC2)CC1 1301762723 AKHGHIFKFDBTRZ-UHFFFAOYSA-N 466.546 2.147 30 10 JEEE CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCCCC2)CCO1 1301898494 FIKFXXSYEURKMD-QFIPXVFZSA-N 451.575 2.034 30 10 JEEE CN(C)C(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCCS2)CC1 1314642362 GIMIIXBVSVIHJZ-HXUWFJFHSA-N 453.616 2.313 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1Cc1ccco1)[C@H]1CCS(=O)(=O)C1 1358958496 PMKVBYQZTVIMPY-KRWDZBQOSA-N 486.550 2.239 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H](C)Oc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1358965631 YOISITXUVOGTPV-NQIIRXRSSA-N 483.569 2.497 30 10 JEEE C#CCN(c1nnc(CN2CCCC2=O)n1CC[C@H](C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1358966657 TVFWFAHASHADAZ-FPOVZHCZSA-N 469.611 2.221 30 10 JEEE C#CCN(c1nnc(COc2ccccc2OC)n1C[C@@]1(C)CCCO1)[C@H]1CCS(=O)(=O)C1 1358967801 SLDOZQLZXFFVKU-FDDCHVKYSA-N 474.583 2.062 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1CCN(CCC)CC1 1359023868 ZEIYVOUETWQOHT-UHFFFAOYSA-N 477.613 2.400 30 10 JEEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CC(C)(C)c2ccc(OC)c(OC)c2)CC1 1359034458 RHZVQVJWJZTMLN-UHFFFAOYSA-N 461.570 2.485 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@]2(O)CCO[C@H]2C)CC1 1359045595 MXXAJZYUVCDZEF-XDHUDOTRSA-N 471.989 2.028 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)CC(=O)Nc1ccc(C)cc1 1359090697 FGBBLRFUNAWNOR-LQWHRVPQSA-N 490.630 2.253 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)NCc2ccccc2)CC1 1359151088 MQNXAKAYTCHPTC-HXUWFJFHSA-N 458.994 2.363 30 10 JEEE C=C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCN2CCCS2(=O)=O)CC1 1359158159 HSODMVJCQVXTMQ-UHFFFAOYSA-N 479.006 2.053 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H]2CCCCO2)nnc1N1CCN(CC(=O)N(C)C)CC1 1359310548 ZCZATPWGQAJMQN-QFIPXVFZSA-N 468.602 2.343 30 10 JEEE C#CC1(F)CN(C(=O)COc2ccc(N(C)S(=O)(=O)c3ccc(NC(C)=O)cc3)cc2)C1 1455265873 BCADVGJKWUBPSY-UHFFFAOYSA-N 459.499 2.033 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CC(F)(F)CNC(=O)OC(C)(C)C 1497084961 CHYHCIMMEHVUIL-OAHLLOKOSA-N 485.536 2.085 30 10 JEEE CCC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1499942602 DOXAZWYMELYDIH-QFIPXVFZSA-N 460.604 2.276 30 10 JEEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1ccc(N2CCOC2=O)cc1)[C@@H]1CCS(=O)(=O)C1 1507621725 BUZLWCJORCJFDO-FXAWDEMLSA-N 471.583 2.423 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCC1CCC(OC)CC1)[C@@H]1CCS(=O)(=O)C1 1507631339 CTGLYHPPXDNPRD-WBFXSEPVSA-N 450.605 2.004 30 10 JEEE C#CCN(c1nnc(CCCc2ccccc2)n1CCC(=O)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 1507639463 KKEYWJYANYTCHR-QHCPKHFHSA-N 497.665 2.483 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1CC1CCN(C(=O)OC)CC1 1507711816 ZQUSOQYWGBPXGE-OAQYLSRUSA-N 469.542 2.355 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccc3C)n2C[C@@H]2CCS(=O)(=O)C2)n1 1507717199 QUBKOMMJDRKPPC-FQEVSTJZSA-N 482.610 2.171 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2nc(C(C)C)cs2)CC1 1507734451 XBLBYYNIFHENNU-UHFFFAOYSA-N 457.604 2.010 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2C[C@@H](C)CN2CCN(CC)CC2)CC1 1507740187 PROUHHMDCGUCEX-NRFANRHFSA-N 497.713 2.170 30 10 JEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 1507843894 XRXQQQGBVDDDNV-RTBURBONSA-N 471.537 2.361 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1507844470 KKEUJEAHSLNVOO-RTWAWAEBSA-N 471.583 2.222 30 10 JEEE C=C(Cl)Cn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C(=O)OC)[C@H](CNC(=O)OC(C)(C)C)C1 1507850036 ADZRLENBSOHZPF-HZPDHXFCSA-N 496.996 2.017 30 10 JEEE C=CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(NS(C)(=O)=O)CC1 1507930985 NVOIXQACPIYJCW-UHFFFAOYSA-N 495.675 2.113 30 10 JEEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](O)(c2cccc(F)c2)C1 1507935871 VNNXLVDMXCFMLF-NFBKMPQASA-N 493.605 2.204 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H](C)c1ccc(OC)cc1 1507981880 LAVHXOAJXHXPOC-XLIONFOSSA-N 463.604 2.436 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@@H](COC)C1 1508091561 MILPHDNVBFFBOC-HXUWFJFHSA-N 457.575 2.308 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CC[C@H](N2CCCC2=O)C1 1508095148 SRYALPOYFQNYLQ-SFHVURJKSA-N 454.600 2.382 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC(C)(C)N2CCOCC2)C1 1508117115 SXFUXHMBORQRNW-RDPSFJRHSA-N 463.623 2.211 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@H](C(F)(F)F)C1 1508141319 VCWRHSCUDUYAOL-CYBMUJFWSA-N 475.493 2.385 30 10 JEEE CC(C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCC(=O)NCc1ccccc1 1508999349 AKAKCWJPHBFZBK-LJQANCHMSA-N 473.585 2.485 30 10 JEEE CCN(CC)[C@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1515593600 AFRMWJZTXRXKLS-UYAOXDASSA-N 473.647 2.313 30 10 JEEE CCO[C@]1(c2nnc(N(C)[C@@H](C)CC#N)n2Cc2ccccc2CN2CC[C@@H](O)C2)CCOC1 1516127502 CDNVDEDQCNZCDF-UWUFEASWSA-N 468.602 2.283 30 10 JEEE COC(=O)CN(CCN1CCN(C)CC1)C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 1524709073 CQTINQMRQARCJP-UHFFFAOYSA-N 450.539 2.408 30 10 JEEE C=CCS(=O)(=O)CCNC(=O)c1cccc(Br)c1I 1536548249 XJQAGMRQBHKHTQ-UHFFFAOYSA-N 458.115 2.384 30 10 JEEE C#CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCS(=O)(=O)CC1 1539104118 CRFJFLMIKMXGGH-UHFFFAOYSA-N 453.362 2.364 30 10 JEEE C#CCN(c1nnc(C2CC2)n1Cc1ccc(OC)c(OC(F)F)c1)[C@@H]1CCS(=O)(=O)C1 1539216205 PDHVUJPZZNHACO-MRXNPFEDSA-N 466.510 2.441 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2Cc2cc(C)no2)CC1 1539469758 GHYIWJIZRVTCOI-UHFFFAOYSA-N 494.552 2.281 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Cl)c3)n2CCC(=O)NC(C)C)CC1 1539470478 RECHTNKQMRDXQM-UHFFFAOYSA-N 456.978 2.479 30 10 JEEE C#CCSCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1539498319 SAIMEENRBBQEGJ-SJLPKXTDSA-N 458.563 2.480 30 10 JEEE C#CCSCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1539498729 YYNWFMDMEGUNKP-UHFFFAOYSA-N 478.569 2.123 30 10 JEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC2(CCCCC2)C1 1540004636 CQJGZPBKOOFFRQ-SFHVURJKSA-N 453.609 2.117 30 10 JEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2[nH]c(C)c(C)c2c1 1540072447 LMJSWWZGKKQLJG-HXUWFJFHSA-N 458.588 2.380 30 10 JEEE C=CCNC(=O)Cn1c(N2CCO[C@@H](c3ccc(F)cc3)C2)nnc1[C@]1(OC(C)C)CCOC1 1540875908 BDRAYCMFVGRXDO-YKSBVNFPSA-N 473.549 2.338 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1Cn1cccn1 1541115572 BJYBAKQXAWRDGQ-XLIONFOSSA-N 453.572 2.069 30 10 JEEE C[C@@H]1CCCCN1C[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCNS(C)(=O)=O)C1 1544008352 CBXDEVWYKQTHBE-TZIWHRDSSA-N 485.658 2.457 30 10 JEEE COc1ccccc1N1CC[C@@H](NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1=O 1544472233 FJWLPCNAKRCPNY-CRAIPNDOSA-N 452.898 2.495 30 10 JEEE CC[C@H](C)[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1545251254 DANROZJIVZPONA-IATMXGELSA-N 479.629 2.357 30 10 JEEE CCc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1Cc1cnn(CCOC)c1 1546316157 CZCKZNIJEUTMAK-HXUWFJFHSA-N 451.531 2.039 30 10 JEEE CN(C)C(=O)[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@H]1C1CCN(S(C)(=O)=O)CC1 1548397256 BQEDIOWBHKSEOY-ZWKOTPCHSA-N 472.533 2.389 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@@]1(C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CCO1 1556399372 LGLSTNSJQBWDLB-HKARXFIJSA-N 454.564 2.432 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2cccc(C)c2C)n1Cc1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 1588030387 UEXWGPVQQYGFAM-PZJWPPBQSA-N 482.610 2.443 30 10 JEEE C#CCN(c1nnc(-c2ccc(Br)cc2)n1C[C@@H](F)COC)[C@H]1CCS(=O)(=O)C1 1588040586 OSTVXXDYXDSLOO-SJORKVTESA-N 485.379 2.319 30 10 JEEE C#CCN(c1nnc(-c2ccccc2)n1CCNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1588045287 IWUXWPYUBAAIFX-GOSISDBHSA-N 459.572 2.097 30 10 JEEE C#CCN(c1nnc(-c2cccc3cccnc23)n1C[C@H](C)COC)[C@@H]1CCS(=O)(=O)C1 1588046059 WEAWQIPLIXQWOW-PKOBYXMFSA-N 453.568 2.403 30 10 JEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1588060060 YSZHTKRTUDMWOJ-APWZRJJASA-N 450.008 2.099 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCOC2CCCC2)CC1 1588769409 SGPBRSUEODLHPD-UHFFFAOYSA-N 471.627 2.453 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CC(C)(C)N2C[C@H](C)O[C@H](C)C2)CC1 1588930013 KZPYZUKHZXCEQU-VWPQPMDRSA-N 486.661 2.026 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2CC2(S(C)(=O)=O)CCCC2)CC1 1588954993 NSBYAYZMSQPODS-UHFFFAOYSA-N 475.659 2.334 30 10 JEEE C#CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@H](CNC(C)=O)C1 1589037058 UQUJQJZYUALOEP-GOSISDBHSA-N 455.584 2.435 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cccc(OC)c2)CC1 1594241129 GSSICQIHSYKMBX-HXUWFJFHSA-N 461.588 2.070 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1595517158 QVFUOFMMTNSOHG-HXUWFJFHSA-N 481.601 2.228 30 10 JEEE C=CCNC(=O)Cn1c(N2CCN(C(C)(C)C)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1595603132 YOANHUXHKWJTHD-HDICACEKSA-N 475.638 2.272 30 10 JEEE CCCC(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC2CC2)C1 1614316766 FMZQCKZNCMWXCP-FQEVSTJZSA-N 463.586 2.476 30 10 JEEE C=CCn1c(S)nnc1Cc1csc(NC(=O)c2ccc(S(N)(=O)=O)c(C)c2)n1 1632090420 QYSJCLXQTWSAGR-UHFFFAOYSA-N 450.571 2.008 30 10 JEEE C=CC[C@@H]1CCCC[C@@H]1NCC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 1659401884 XEKJPRWYADFHQR-MJGOQNOKSA-N 451.589 2.379 30 10 JEEE COC(=O)c1cc(NC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)cc(S(C)(=O)=O)c1 1659958265 CKQWMHOMFBDMSA-UHFFFAOYSA-N 456.524 2.098 30 10 JEEE C=CCS(=O)(=O)CCNC(=O)N1CCC([C@@H]2OCCC[C@@H]2NC(=O)OC(C)(C)C)CC1 1670882454 ORSOIPHRHABFQR-ROUUACIJSA-N 459.609 2.081 30 10 JEEE CCN1CCN(c2ccc(S(=O)(=O)N(CC)CC)cc2NC(=O)N[C@H](C)CC#N)CC1 1672601054 FYMLOVIKNJCECF-QGZVFWFLSA-N 450.609 2.283 30 10 JEEE C=CCCC(C)(C)CNC(=O)N1CC(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 1684557493 QJORCQHEGZEFHP-UHFFFAOYSA-N 458.625 2.255 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(SCC)c1 1689853358 ROZFZLJPBMPNFB-LPHOPBHVSA-N 463.629 2.229 30 10 JEEE C#CCN(c1nnc(C(C)C)n1C[C@@H](c1ccccc1)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1689980404 QZXILAHKSNCQBQ-VXKWHMMOSA-N 471.627 2.102 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCOCC(F)(F)C(F)F)[C@H]1CCS(=O)(=O)C1 1689983419 BHRMYQPOHSZUHT-AWEZNQCLSA-N 478.468 2.390 30 10 JEEE C#CCN(c1nnc(COCC)n1Cc1ccccc1OC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1689997107 WAQUTDUOTJOFGG-INIZCTEOSA-N 472.489 2.388 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2ccncc2)n1Cc1ccccc1CN1CCC[C@@H]1CO 1690022617 LSQMPRNCGQQMRQ-RUZDIDTESA-N 454.578 2.342 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC[C@@H]1CCOC1 1690101039 MCIVIKXINXLWDC-GOSISDBHSA-N 450.543 2.188 30 10 JEEE C=C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1690362694 MLMHCZMGHQIFSS-SFHVURJKSA-N 451.531 2.292 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1690668262 YKJIZFPQBQADPW-UHFFFAOYSA-N 481.645 2.251 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCC2Cc3ccccc3C2)C1 1690686918 VYWYBTFKBFQDNL-UWJYYQICSA-N 459.616 2.475 30 10 JEEE C=CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCNC(=O)[C@H]1CC 1690743797 FTKLRSAQDBCCNY-GOSISDBHSA-N 456.620 2.086 30 10 JEEE CC(C)C(=O)NC[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCn2cncn2)C1 1691472395 BGOZTEFDXWIDLC-FQEVSTJZSA-N 477.573 2.009 30 10 JEEE Cc1cnn(CC2CCN(c3nnc(-c4ccc(C#N)cc4)n3CCS(C)(=O)=O)CC2)c1 1693298241 CFSUWWPCYAWWRG-UHFFFAOYSA-N 453.572 2.283 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCn1cc([C@H]2CCOC2)cn1 1705494590 CDFFPMWSOGMQPD-ZJOUEHCJSA-N 499.616 2.445 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCN1CCSCC1 1705627181 XPRKAYDZBDLWPC-UHFFFAOYSA-N 451.600 2.266 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H](c2ccccc2)N(C)C)CC1 1705642253 MZHUDQHMENIQBE-OAQYLSRUSA-N 477.638 2.328 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCCN1C[C@@H](C)C[C@@H](C)C1 1705668057 CQPBLJHKTATHBA-LMVRJCEZSA-N 450.653 2.248 30 10 JEEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H](C(=O)NCCCC)C1 1705691602 ITYNXBQXNPRXIF-INIZCTEOSA-N 467.412 2.442 30 10 JEEE C=C(C)CN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCC(=O)N1CCOCC1 1705717368 IOQYIFMEFAGIPD-UHFFFAOYSA-N 468.606 2.103 30 10 JEEE C=C(Cl)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1705750334 ZVRABUWYCUTGNL-AEFFLSMTSA-N 496.033 2.469 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1705905400 UOORTHYOTLGGCM-FQEVSTJZSA-N 453.522 2.105 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cnn(C)c1 1705913026 BOQSQQGWXSMMIM-LJQANCHMSA-N 456.572 2.163 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC(OC[C@@H]2CCCCO2)CC1 1705936231 MCQYPLIISQUMHZ-FPOVZHCZSA-N 482.647 2.327 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1cccc(Cn2cccn2)c1 1706878407 GBWHUKZJIDXSEV-FDDCHVKYSA-N 482.614 2.311 30 10 JEEE CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(Cc2cccs2)CC1 1711406399 GCLPUXGVFLVYNQ-UHFFFAOYSA-N 465.583 2.249 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCc1c[nH]nc1C)[C@@H]1CCS(=O)(=O)C1 1722358419 BKGGZMOAFZIJOB-HXUWFJFHSA-N 483.554 2.144 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CCCN1CC)[C@H]1CCS(=O)(=O)C1 1722371720 XTFCPYVQVOVETQ-UWHLTILDSA-N 477.675 2.308 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCc1n[nH]c(C)n1 1722403547 VZXCHVYGSMFKFG-HDICACEKSA-N 452.563 2.181 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@]2(O)CCC[C@H]2C)CC1 1722429830 STAXQZKPTNWQJT-NLFFAJNJSA-N 450.587 2.454 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCC[C@H]2C)CC1 1722449051 FJXZWZSAHPMRSG-BCHFMIIMSA-N 476.581 2.246 30 10 JEEE C=C(Cl)Cn1c(Cc2csc(C)n2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1722578956 DXBXEJDVSNXNPK-IFXJQAMLSA-N 464.039 2.375 30 10 JEEE C=CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1722681945 CTALTJMOQDMMIE-GOSISDBHSA-N 460.604 2.441 30 10 JEEE CCC[C@@H](C)C(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](C#N)C1 1727930220 GBNFOLJBLYFJNM-XLIONFOSSA-N 451.531 2.010 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CCO[C@@H]1CCCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1740626487 VDSQDCCZPJMCKE-CEMLEFRQSA-N 471.627 2.486 30 10 JEEE C#CCN(c1nnc(CC)n1C[C@H](c1ccc(OC)cc1)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1740626570 LVRGWOZLTKQNGD-RBBKRZOGSA-N 471.627 2.313 30 10 JEEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCNC(=O)C(C)(C)C 1740657501 SUWDUCZZMHRWPF-UHFFFAOYSA-N 462.602 2.077 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1CC1CCN(C(C)=O)CC1 1740680865 QGPPQDWUSACMHO-UHFFFAOYSA-N 477.407 2.391 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCO[C@@H]1C(C)C 1740683660 CBJVCHLQRSWLJE-PGRDOPGGSA-N 464.570 2.339 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2Cc2ccc(C(=O)N3CCCCC3)cc2)CC1 1740691240 XMAAZIFWVNERSU-QFIPXVFZSA-N 494.640 2.432 30 10 JEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N(CCO)Cc1cc(Br)ccc1F 1740715946 IDWSGEJJYNVBHT-KRWDZBQOSA-N 496.406 2.496 30 10 JEEE C=CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1740998412 LSPZSXITYVBGEI-UHFFFAOYSA-N 479.628 2.453 30 10 JEEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCC[C@H]2C(=O)N(C)C)CCCO1 1743244213 GWRFTULLMYLEKD-UGKGYDQZSA-N 465.602 2.375 30 10 JEEE CC[C@H](C)[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1743479625 IFZZLUITLCQEJM-UQBPGWFLSA-N 467.618 2.260 30 10 JEEE CCOC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1746551975 HYMSEZCCHRVGJR-HXUWFJFHSA-N 465.558 2.354 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(CC)CC)n2C[C@@]2(C)COCCO2)c1 1748689601 DXPXGSGWFWBLBB-VWLOTQADSA-N 482.585 2.058 30 10 JEEE C#CCCCn1c(N2CCC(C(=O)NCCOC)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1748762394 MJZWBZABCSCJOE-BGYRXZFFSA-N 488.633 2.441 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CCc1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 1748804465 IDQGSBXNCZXREX-DHLKQENFSA-N 486.638 2.497 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H](OC)c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1748816068 WLWWOCBFCVUXJE-NRSPTQNISA-N 476.574 2.326 30 10 JEEE C#CCN1CCN(c2nnc(Cc3cn4ccccc4n3)n2CCCNC(=O)OC(C)(C)C)CC1 1748994365 ZFKWDGMQEASXTE-UHFFFAOYSA-N 478.601 2.187 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@](C)(O)C2CC2)CC1 1749000603 YZOCAQXOJBMOKY-CYFREDJKSA-N 458.607 2.266 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N(CC)CC)nc1 1749067906 YPRFYBAITVHLHI-AUSIDOKSSA-N 456.616 2.462 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1749120820 HUJASZIEBSBZQK-FPOVZHCZSA-N 475.615 2.407 30 10 JEEE C=C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCNS(=O)(=O)c2ccccc2)CC1 1749292019 NLBQCKSTYFNDTF-QHCPKHFHSA-N 475.615 2.454 30 10 JEEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)C(C)(C)C)C[C@H](C)O1 1749576553 HDGDPWTXCYKIIC-PXNSSMCTSA-N 470.574 2.131 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN([C@H](C)c2cccc(OC)c2)CC1 1749683326 POOIOYNPNKOEEL-WIYYLYMNSA-N 454.575 2.324 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H](C)CN1CCN(CC)CC1 1760112391 GAQYQDBPTWVUOD-FCHUYYIVSA-N 479.677 2.184 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CC(C)(C)CN(C)C)[C@H]1CCS(=O)(=O)C1 1760181142 QDKPUSCWRPKEMJ-INIZCTEOSA-N 497.463 2.250 30 10 JEEE C#CCN(c1nnc([C@H]2COc3ccccc3O2)n1CCC(C)(F)F)[C@@H]1CCS(=O)(=O)C1 1760186062 JSXRSDBUJOPTMP-CRAIPNDOSA-N 466.510 2.463 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1CC[C@@H](OCC)C1CCCC1)[C@@H]1CCS(=O)(=O)C1 1760188640 LFUAERODNRARMK-TZIWHRDSSA-N 472.615 2.347 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC[C@@H]1CCO[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1760189823 WXULZTJJXCFDFL-MTQWCTHYSA-N 450.605 2.004 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H]1CCCN(C(C)=O)C1 1760242362 APLVBEVXWGAUBL-OAQYLSRUSA-N 466.586 2.492 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1cccs1 1760244579 AAQDVZZGDPIERW-UHFFFAOYSA-N 459.597 2.391 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCCCN1CC 1760247986 WUUDRSZPELNZHA-LJQANCHMSA-N 463.586 2.152 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCCN(C(C)C)C2)CC1 1760264728 CVVDPZVTKSQHHA-FQEVSTJZSA-N 492.628 2.012 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2CCCNC(=O)C(C)C)CC1 1760267510 OQPWVGBADKJCDW-UHFFFAOYSA-N 466.586 2.082 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2C[C@H]2CN(CC(C)C)CCO2)CC1 1760267934 HAMWGBYFMOYQRU-OAQYLSRUSA-N 482.604 2.407 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2(CCOC)CCCCC2)CC1 1760268955 SLZYYEUAUMCJQU-FQEVSTJZSA-N 470.618 2.182 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3CC)n2CCN2CCCC2)CC1 1760273395 RRPBRISJCKYSJM-UHFFFAOYSA-N 464.614 2.481 30 10 JEEE C=CCCCn1c(-c2ccccc2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1760437322 YOZSNAOQXFVFLU-UHFFFAOYSA-N 455.588 2.464 30 10 JEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccnc(OCc2ccccc2)c1 1760464761 OJOCKIXCHKHBDZ-OAQYLSRUSA-N 498.609 2.256 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCN(C(=O)NCC)CC1 1760519310 ZKLLOJJIHWBREW-UHFFFAOYSA-N 493.568 2.271 30 10 JEEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@](C)(c2ccccc2)C1 1760526381 MMVFKZNRAGEWDA-XMMPIXPASA-N 480.594 2.324 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2coc(-c3cccs3)n2)C1 1760535641 URURHYFTERVPKX-GDBMZVCRSA-N 478.600 2.434 30 10 JEEE CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 1769325303 IAPLWSLAVFIGKL-UHFFFAOYSA-N 453.547 2.446 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@@H](C)[C@H](OC)C1 1772660173 TUMNIWCQORQGBJ-OXQOHEQNSA-N 462.572 2.178 30 10 JEEE N#Cc1cccc(C(=O)Nc2ccc(N3CCN(S(=O)(=O)c4ccc5c(c4)OCO5)CC3)nc2)c1 1858446600 AYTHFYNAYQDZKW-UHFFFAOYSA-N 491.529 2.445 30 10 JEEE O=C(C1=C(O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccc2c(c1)OCCO2)c1ccc2c(c1)OCO2 1862630796 BPSWWAAKADKZKD-HSZRJFAPSA-N 494.500 2.097 30 10 JEEE CC(=O)Oc1ccc(C[C@H](NC(=O)CC[C@@H]2CCS(=O)(=O)C2)C(=O)Nc2cccc(C#N)c2)cc1 1866930199 ZDIZPAFCCSLAMZ-XXBNENTESA-N 497.573 2.364 30 10 JEEE COc1ccc(C(=O)Nc2c(C#N)nnn2Cc2cc([N+](=O)[O-])cc3c2OCOC3)cc1[N+](=O)[O-] 1870112424 CJMVXKBAKYWGMZ-UHFFFAOYSA-N 481.381 2.142 30 10 JEEE C[C@@H](O)Cn1cc(OCC(=O)Nc2sc3c(c2C#N)CCC3)c(=O)cc1CN1CCCC1 1870324427 KAILQQUUIWIJKA-OAHLLOKOSA-N 456.568 2.264 30 10 JEEE COc1ccc(/C=N/n2c(CNC(C)=O)nnc2SCC(=O)Nc2nccs2)c(OC)c1 1874433442 LBIHDDTZHFTVPS-LSFURLLWSA-N 475.556 2.001 30 10 JEEE CCN1CCN(CC#CCOC2CCN(C(=O)c3sc(-c4ncccn4)nc3C)CC2)CC1 1889537828 QXFLFPMSXMMGQM-UHFFFAOYSA-N 468.627 2.171 30 10 JEEE C#CCN(C(=O)[C@@H]1C[C@H](O)CN1C(=O)OC(C)(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 2080604363 IWZGESRLURZRNQ-ROUUACIJSA-N 451.564 2.218 30 10 JEEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)N2CC(O)(C3CCN(C(=O)C(F)(F)F)CC3)C2)C1 2182971099 ZUYKYRCGHLGAFK-UHFFFAOYSA-N 475.508 2.222 30 10 JEEE C=C[C@@]1(CO)COCCN1C(=O)c1ccc(Br)cc1I 2207273544 VWLCYYUPGBUVMO-CQSZACIVSA-N 452.086 2.443 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CC[C@@H]1NC(=O)OCc1ccccc1 2255625085 MMBNUFKKBPZZPO-OALUTQOASA-N 468.363 2.389 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1COCCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2255625561 SLXPBOCXRCEULN-OAHLLOKOSA-N 452.382 2.413 30 10 JEEE C[C@H](C[S@@](C)(=O)=NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1)NC(=O)OC(C)(C)C 2255863406 NPVMCSZFZFXEDG-WAJSEHEASA-N 455.386 2.465 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]1NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2255933875 VAAUEZSXIZYGKV-HOTGVXAUSA-N 456.345 2.069 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H](NC(=O)OC(C)(C)C)C[C@@H](O)C2)s1 2267110176 ZXVVMGMSROVEFW-LSDHHAIUSA-N 466.409 2.456 30 10 JEEE Cc1c(B2OC(C)(C)C(C)(C)O2)csc1C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H](O)C1 2267111818 XVCWYZUYYXEDGR-HNNXBMFYSA-N 466.409 2.410 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)CCCO1 2267150260 CAWMYGWBMNAHMY-CQSZACIVSA-N 467.397 2.198 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2csc(B3OC(C)(C)C(C)(C)O3)c2)[C@H](C(=O)O)C1 2267293740 VMXMAPLAFPIDPX-AWEZNQCLSA-N 466.365 2.193 30 10 JEEE CN1CCN(C(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)[C@@H](CNC(=O)OC(C)(C)C)C1 2267482060 XYQQYEVEPKLCDJ-HNNXBMFYSA-N 465.425 2.328 30 10 JEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H]1COCCN(C(=O)OC(C)(C)C)C1 2267507494 OXPOBWKKRALAEX-HNNXBMFYSA-N 450.341 2.253 30 10 JEEE CC[C@@H](CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(O)cc1O)NC(=O)OC(C)(C)C 2267805504 KERBZUMHCCGNIQ-ZDUSSCGKSA-N 450.341 2.430 30 10 JEEE CN(C[C@@H](O)CN(C)C(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1F)C(=O)OC(C)(C)C 2281776193 OTCZJEGGNOGCOP-HNNXBMFYSA-N 466.359 2.425 30 10 JEEE CC1(C)OB(c2cnc(C(=O)N3CCC[C@H](CNC(=O)C(F)(F)F)C3)c(F)c2)OC1(C)C 2282050841 PINFHKWZKALEAT-GFCCVEGCSA-N 459.249 2.051 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1COC[C@@H]1NC(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1F 2282400505 GSIAVTJXXKEEDK-YOEHRIQHSA-N 464.343 2.394 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1COC[C@@H]1NC(=O)c1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2282463971 HRKBMDFUEJMNPD-YJBOKZPZSA-N 464.343 2.394 30 10 JEEE CC(C)(C)OC(=O)N[C@@]12C[C@@H]1CN(S(=O)(=O)Cc1ccccc1B1OC(C)(C)C(C)(C)O1)C2 2282507682 LDVJLBRGBRRCSF-UZUQRXQVSA-N 478.420 2.415 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC[C@H]2[C@@H]1CCN2C(=O)OC(C)(C)C 2282535679 RPBKGWGXHWHOEM-IRXDYDNUSA-N 460.384 2.333 30 10 JEEE CCc1nn(C)c(C(=O)N[C@@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)c1B1OC(C)(C)C(C)(C)O1 2282558650 KGSTYRCZIJEBJU-LFVRLGFBSA-N 460.384 2.021 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CN(C(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)CC[C@H]1CO 2282658603 YZOFLUWCDUWLAP-LPHOPBHVSA-N 460.380 2.334 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@]2(NS(=O)(=O)Cc3ncsc3B3OC(C)(C)C(C)(C)O3)C[C@H]2C1 2282839564 FZAXYBYBNNSLQP-LHSJRXKWSA-N 499.464 2.261 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C2(CCC2)C1 2283071699 HZLBMZIZVSRVRN-UHFFFAOYSA-N 458.368 2.391 30 10 JEEE CC1=C(B2OC(C)(C)C(C)(C)O2)CCN(C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)C1 2283957067 VVOGJBKUKIYWOJ-QGZVFWFLSA-N 486.440 2.495 30 10 JEEE CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccc(B2OC(C)(C)C(C)(C)O2)s1 2283958386 YQFXACGNHDLSIH-MRXNPFEDSA-N 482.408 2.462 30 10 JEEE CN[C@@H](C#Cc1cccc(Br)c1)[C@H](NC(=O)OC(C)(C)C)C1CS(=O)(=O)C1 2296272472 JRCSSCFWBAEMHT-DLBZAZTESA-N 457.390 2.327 30 10 JEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@](C(=O)O)(N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C1 2346931361 PPJTXQYARNHEBM-MZLICYQSSA-N 458.559 2.176 30 10 JEEE Cn1cnc(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 2362356581 RTOGSYOJESMGEX-PHZGNYQRSA-N 460.384 2.380 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@H]2CCN(C(=O)c3cnsc3B3OC(C)(C)C(C)(C)O3)C[C@@H]21 2362575250 ZYNBFZIHFPULQT-JKSUJKDBSA-N 479.408 2.293 30 10 JEEE CC(C)(C)OC(=O)N1CC(C(=O)Nc2ccc(C#N)cc2Br)(S(C)(=O)=O)C1 2379881872 HWXQQJWNKYTZKY-UHFFFAOYSA-N 458.334 2.293 30 10 JEEE N#Cc1ccc(Cl)cc1NC(=O)COC(=O)[C@@H](CC(N)=O)NC(=O)c1ccc(Cl)cc1 3309216 IFDVNHRQKKEHCE-MRXNPFEDSA-N 463.277 2.021 30 10 JEEE COc1cccc(/C(C)=N/Nc2nc(SCCC(=O)Nc3ccc(S(N)(=O)=O)cc3)n[nH]2)c1 20836151 KFQMSOMODUPYNV-ZMOGYAJESA-N 489.583 2.418 30 10 JEEE COc1cc(OC)c([C@@H]2c3c(nc(N4CCC(C)CC4)[nH]c3=O)NC(=O)[C@@H]2C#N)cc1OC 72445311 OCLBVNFLBCAVQA-KDOFPFPSSA-N 453.499 2.256 30 10 JEEE COc1ccccc1[C@H]1/C(=C(/O)c2c(C)n[nH]c2C)C(=O)C(=O)N1CCCN1CCOCC1 102745076 OPLXBRUCQITKMS-AGGMBTAESA-N 454.527 2.179 30 10 JEEE NS(=O)(=O)c1ccc(N/N=C2/C(=O)N(c3ccccc3)N=C2c2ccc([N+](=O)[O-])cc2)cc1 110289317 NXGGKKYRKLFVLB-HIXSDJFHSA-N 464.463 2.461 30 10 JEEE CCOC(=O)[C@@H]1CCCN(C(=O)C(/C=C2\C(=O)ONN2c2ccccc2)=NC(=O)c2ccccc2)C1 585673777 SESOZAYXXBNGHU-KNHJWXHQSA-N 490.516 2.436 30 10 JEEE COc1cc(CNC(=O)CSc2n[nH]c(NN=Cc3cccc(OC)c3O)n2)cc(OC)c1 1084083894 OZYVVKUWPULXMU-UHFFFAOYSA-N 472.527 2.391 30 10 JEEE C=CCn1cc(C=NNc2nnc(SCC(=O)Nc3ccc(OC(F)(F)F)cc3)n2N)cn1 1084493508 GKIJUUNVZXIQQH-UHFFFAOYSA-N 481.464 2.450 30 10 JEEE COC(=O)c1ccc(C=NNc2nnc(SCC(=O)Nc3ccc(C)c(F)c3)n2N)cc1 1084515965 ZKFZJGIQFHMJNK-UHFFFAOYSA-N 457.491 2.403 30 10 JEEE C=CCOC[C@H](NC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)c(F)c1)C(=O)OC 1155779578 PLFYCMAHCADDSR-SFHVURJKSA-N 454.451 2.240 30 10 JEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 1286315035 TVUMYGVIOYPGRO-SJORKVTESA-N 468.624 2.185 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1286387394 QRKQTZGNAINWNL-IEBWSBKVSA-N 488.614 2.222 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1cc(COC(C)(C)C)on1)[C@@H]1CCS(=O)(=O)C1 1286391806 GKZBQFLWLHWEEM-PKOBYXMFSA-N 491.614 2.150 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@]1(N(C)C)CCSC1)[C@H]1CCS(=O)(=O)C1 1286393038 JFRPWTWJWBRVOI-WMZHIEFXSA-N 491.658 2.072 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1Cc1ccccc1Cn1cccn1)[C@@H]1CCS(=O)(=O)C1 1286395663 SFMRRRCUYUEFFD-JOCHJYFZSA-N 466.611 2.396 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@@H](C)N(C)Cc1ccccc1 1286408828 FQIDBPGQMIYQJD-IFMALSPDSA-N 453.612 2.164 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2CC2CCN(CCN(C)C)CC2)CC1 1286485950 DICSPZUEDDKRSH-FQEVSTJZSA-N 457.667 2.031 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2[C@@H]2C[C@H]2C(C)C)CC1 1286486461 FSQHPEQFFSLJKV-FCHUYYIVSA-N 498.653 2.378 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1-n1cccn1 1286517760 VDCOTYWFRGQJHH-VGOFRKELSA-N 453.572 2.114 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1286562934 BNPUQNDBINGMIJ-GBXCKJPGSA-N 474.650 2.367 30 10 JEEE C=C(C)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN([C@@H](C)C(=O)NCCCOC)CC1 1286592757 UGSPCAXTPHCUFO-UGKGYDQZSA-N 484.601 2.030 30 10 JEEE C=CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1286701332 XSJCXKYBVCTNOU-SJORKVTESA-N 469.608 2.176 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC(=O)NC(C)C 1286745807 YCSCONPLMNVMIR-SFHVURJKSA-N 463.579 2.427 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCOC2(CCOCC2)C1 1286791043 SAXHQAVHXIOGKG-UHFFFAOYSA-N 455.559 2.162 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1286815678 YSJHRXKEYAREHQ-UHFFFAOYSA-N 490.630 2.138 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 1286825423 QXUDAOLAFFZVDF-HUUCEWRRSA-N 452.499 2.278 30 10 JEEE CCN1CCN([C@@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N(C)C[C@H](C)C#N)CC1 1296132274 AHXXVJWMFOPRFA-UXHICEINSA-N 450.591 2.351 30 10 JEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](Nc2ccccc2)C1 1300365392 VSAAYQXULOSLRN-YADHBBJMSA-N 486.642 2.495 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H](c1cccc(F)c1)N(C)C)[C@H]1CCS(=O)(=O)C1 1300486965 CLQLVOHHCABDBY-UNMCSNQZSA-N 484.601 2.352 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCc1ccc(C)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1300488500 RRKKDLGYFNTIMF-IBGZPJMESA-N 453.568 2.460 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1300496904 WHRYEQHOEBDSDS-IPMKNSEASA-N 495.646 2.054 30 10 JEEE C#CCN(c1nnc(CC2CCCC2)n1Cc1ccc(OC)c(O)c1)[C@H]1CCS(=O)(=O)C1 1300501362 KMAYKSCBCFJXAM-IBGZPJMESA-N 458.584 2.400 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc3cccnc23)n1CCCN(CC)S(C)(=O)=O 1300522925 QHQNVPMDUFRNFT-UHFFFAOYSA-N 450.568 2.238 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1CCOc1ccc2c(c1)OCO2 1300595514 CXOILWQMSKUGTR-AVRDEDQJSA-N 452.511 2.273 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H]2CCCN2CC)CC1 1300685547 QESABJGPEADUKU-SFHVURJKSA-N 460.424 2.286 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2CC2CCN(C(C)=O)CC2)CC1 1300728653 CYIMCQUPOIITBP-UHFFFAOYSA-N 468.627 2.155 30 10 JEEE C=CC1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2Cc2nnn(C)n2)CC1 1301125665 PVFNVXGXHXOBFS-UHFFFAOYSA-N 457.583 2.367 30 10 JEEE C=CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1CCN1CCN(C(C)=O)CC1)C1CC1 1301321146 XOUPJJBRIDLATC-UHFFFAOYSA-N 454.575 2.281 30 10 JEEE COC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(N(C)C)CCOCC2)C[C@@H](C)O1 1301372638 GJJJDDQMIIHMDV-WIYYLYMNSA-N 454.575 2.168 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccccc3F)n2CC2(S(C)(=O)=O)CC2)C1 1301566777 RVBAVSHVGNVQGZ-MRXNPFEDSA-N 450.536 2.355 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 1301579442 RTZYQZCEZDERHK-INIZCTEOSA-N 498.535 2.336 30 10 JEEE COCCN(CCC#N)c1nnc(-c2cc(C)nc3ccccc23)n1CCN1CCN(C(C)=O)CC1 1301799255 AZQAYQJQAKVDKS-UHFFFAOYSA-N 490.612 2.332 30 10 JEEE CCC[C@@](C)(O)Cn1c(Cc2ccncc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1306539820 ADUCOHIPARKJGS-HOYKHHGWSA-N 461.574 2.192 30 10 JEEE C#CCO[C@@H](C)C(=O)NCCN1C(=O)S/C(=C/c2ccc(OC(F)F)c(OC)c2)C1=O 1348582040 FYBKHEDOEQEMLA-JASJWYONSA-N 454.451 2.487 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCO[C@H]1CCOC1 1358885190 FITWLRUYLWGMRF-ROUUACIJSA-N 450.543 2.328 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1358894865 YPUDADPFQJTHSR-IEBWSBKVSA-N 459.529 2.458 30 10 JEEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(Sc2ccccc2)CC1 1358948870 NQJZJMYZWZXWOJ-SFHVURJKSA-N 461.613 2.005 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1C[C@@]1(OC)CCOC1)[C@H]1CCS(=O)(=O)C1 1358958643 SNVFBZOQWFGPNZ-KKSFZXQISA-N 482.965 2.170 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCNC(=O)C(C)(C)C 1358985347 WPPWLZRWNUCODX-UHFFFAOYSA-N 468.989 2.487 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C)N1CCN(CC)CC1 1359017140 VHAWNRVZJALGBL-UGKGYDQZSA-N 467.593 2.034 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCCC2CCOCC2)CC1 1359042116 SADCJLVIMVWBBC-AREMUKBSSA-N 487.645 2.491 30 10 JEEE C#CCSCCn1c([C@H](C)OCCOC)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1359049196 KFDALOTYCRQUNG-KRWDZBQOSA-N 466.677 2.372 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2OC)nnc1N1CCC(NS(C)(=O)=O)CC1 1359094604 CSUKJHRMAWZVKU-UWJYYQICSA-N 475.615 2.453 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(O)(Cc2cccc(C)c2)CC1 1359121667 BGVRFLPDRMUVGM-NRFANRHFSA-N 489.642 2.070 30 10 JEEE C=CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1359283609 FRIQGJFQLCLYJB-OAQYLSRUSA-N 468.602 2.202 30 10 JEEE N#Cc1ccc(CN2CC[C@@H](NC(=O)c3cn(-c4ccc(C(F)(F)F)cn4)nn3)C2=O)cc1 1448832652 ARVDLDCGJYSYSA-MRXNPFEDSA-N 455.400 2.084 30 10 JEEE N#Cc1ccc(N2CCC[C@H](NC(=O)CC[S@](=O)c3ccc4c(c3)OCCO4)C2=O)cc1 1466821379 FTDMZUZGFYXSAX-GTJUCTONSA-N 453.520 2.139 30 10 JEEE Cn1ccc(CCn2c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CCO[C@@H](C#N)C2)n1 1503662273 AOCSOIICNLUSEB-HKUYNNGSSA-N 470.578 2.098 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H](C)CN1CCOCC1 1507531879 DUFDKQHQRYIJIG-MOPGFXCFSA-N 463.586 2.101 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCO[C@H]2C(C)C)c1 1507550557 MOFHGRFKPVTAOU-VIZSFHNOSA-N 499.637 2.298 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1ccc(C(C)(C)O)cc1)[C@@H]1CCS(=O)(=O)C1 1507631218 MUUHMKPUNQRWQC-OAQYLSRUSA-N 465.579 2.243 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@@H](CC)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1507638485 FVRGXDSEOLGFEQ-NHCUHLMSSA-N 489.617 2.497 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1nccnc1C 1507670688 AFDGQEXAFCHBRF-NRFANRHFSA-N 479.585 2.391 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)N2CCCC2)n1CCN1CCOC[C@H]1C 1507700107 NXQJGAYUTKCANY-LJQANCHMSA-N 454.550 2.014 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCC[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 1507716146 NCKQFJWIPZXWML-OAQYLSRUSA-N 499.660 2.449 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1507719890 BSVIAXLFTLZKGX-IBGZPJMESA-N 456.978 2.277 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2C[C@]2(O)CCO[C@@H]2C)CC1 1507723177 YPCPIJZHZBIVSZ-KBMIEXCESA-N 469.586 2.038 30 10 JEEE C#CCN1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CC(C)(C)CCOC)CC1 1507731886 RJVPUUJXHRXHMA-UHFFFAOYSA-N 466.634 2.270 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2CCn2ccnc2C)CC1 1507740900 QOTZPYUIMZFKJC-UHFFFAOYSA-N 461.570 2.071 30 10 JEEE C#CCSCCn1c(N2CCC[C@@H](Cc3noc(C)n3)C2)nnc1[C@]1(OCC)CCOC1 1507758154 KFBMKYWKTYINRR-AVRDEDQJSA-N 460.604 2.447 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cc(F)c(F)c(F)c1 1507831815 FYIJGXQCBKQORW-INIZCTEOSA-N 459.494 2.241 30 10 JEEE C=C(C)COCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1507835907 QCBAHOKFXRTNPD-LJQANCHMSA-N 461.588 2.363 30 10 JEEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(c2cc(OC)cc(OC)c2)CC1 1507852559 BHEYTOZSQCQMRL-INIZCTEOSA-N 499.037 2.375 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1508076880 IJXIIEWHIDHAEQ-NRFANRHFSA-N 480.613 2.372 30 10 JEEE C=CCOc1ccc(Cn2c(N3CC[C@](C)(C(N)=O)C3)nnc2[C@@]2(OCC)CCOC2)cc1 1508104768 NHHQHXORVYBFSQ-BJKOFHAPSA-N 455.559 2.245 30 10 JEEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1Cc1cccnc1N1CCOCC1 1539031324 ZGHSAUHDUUJGNF-KRWDZBQOSA-N 465.583 2.007 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1CC1(S(C)(=O)=O)CCCC1 1539241630 GOOXBVFLPPLQDA-UHFFFAOYSA-N 464.389 2.466 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1539315401 LKVQGNGASNQACH-RTBURBONSA-N 466.586 2.357 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1Cc1cccnc1N1CCOCC1 1539402671 FZOTYCMOZILEFY-UHFFFAOYSA-N 467.961 2.359 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3)n2Cc2cnn(CCOC)c2)CC1 1539438041 LBSPIROPDKVOTB-UHFFFAOYSA-N 484.402 2.354 30 10 JEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2ccc(F)c(F)c2)C1 1539496267 FJCJUCXPULOEEL-KSSFIOAISA-N 485.582 2.111 30 10 JEEE C#CCSCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCNC(=O)[C@@H]1CC 1539509908 APDWFZBYAIAJNT-IBGZPJMESA-N 479.610 2.146 30 10 JEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCN(C)C(=O)OC(C)(C)C)CC1 1539873993 IPHOAPFTQMXXCL-HNNXBMFYSA-N 456.613 2.158 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc2c(cc1OC)C[C@@H](C)O2 1540201397 SLPBZIZCHZGDMD-IAGOWNOFSA-N 476.599 2.199 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1540863019 NWEAMOIFHSDBHN-FUHWJXTLSA-N 458.538 2.164 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](OCC2CC2)C1 1540864851 NBWVCLCBYQPEOZ-LJQANCHMSA-N 473.599 2.046 30 10 JEEE C#CCN(C(=O)[C@@H](C)NS(=O)(=O)c1cccs1)C1CCN(C(=O)OC(C)(C)C)CC1 1558370418 MOPSKDOBILTJPM-OAHLLOKOSA-N 455.602 2.276 30 10 JEEE C#CCN1CCN(C(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Br)CC1 1586732958 GLVSIPQYNBANSE-UHFFFAOYSA-N 454.390 2.015 30 10 JEEE C#CCN(c1nnc([C@@H](CC)c2ccccc2)n1CCc1ccn(C)n1)[C@@H]1CCS(=O)(=O)C1 1588035507 UKXJSPXFJBSTBT-YADHBBJMSA-N 466.611 2.423 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 1588214636 XZLWUVDDIDLRBQ-QFIPXVFZSA-N 455.522 2.364 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC[C@]1(O)C[C@H]2CC[C@H]1C2 1588595581 WMAGCZJMZRNPMI-WXVUKLJWSA-N 472.611 2.376 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2CCC(=O)N[C@@H](C)CC)CC1 1588947738 VJIZOYXKVNJSSR-KRWDZBQOSA-N 486.567 2.418 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N(C)CCCS(C)(=O)=O 1589557228 HCPQRBXKXXCVOJ-LPHOPBHVSA-N 453.634 2.486 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1589567568 FEYNYKANOZTPMK-FFHOAYQKSA-N 488.677 2.422 30 10 JEEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1595405401 NLWAIXDQSVLLIY-LJQANCHMSA-N 489.621 2.499 30 10 JEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CN2C[C@H](C)O[C@H](C)C2)CC1 1595884463 LTQUQXSLZSNEQK-ZVDOUQERSA-N 497.731 2.425 30 10 JEEE CC(C)SCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1611130098 ALPQXDYDQSHVNC-UHFFFAOYSA-N 453.616 2.359 30 10 JEEE CCc1nnc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(CCC#N)CCC(C)C)s1 1613904923 CKZPBGDFQODRFE-HNNXBMFYSA-N 451.622 2.409 30 10 JEEE COC[C@H](C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1619583168 AKHBHBHUXSINII-CRAIPNDOSA-N 457.966 2.363 30 10 JEEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)c1ccc(CNC(C)=O)s1 1622563376 PMQYLKVXCOQCCV-UHFFFAOYSA-N 455.602 2.408 30 10 JEEE CN1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)N[C@@H]2CC[C@H](C#N)C2)CC1 1622726703 HGQWJJAMFDZULR-RBUKOAKNSA-N 474.631 2.427 30 10 JEEE C#CCNS(=O)(=O)c1cccc(C(=O)N(Cc2ccc(O)cc2)C[C@H]2CCCN2CC)c1 1632014213 LSAUAXYRGXHPIZ-OAQYLSRUSA-N 455.580 2.430 30 10 JEEE C#CCN1CCCN(C(=O)[C@H](CCSC)NS(=O)(=O)c2ccc3ccccc3c2)CC1 1634011816 VHMGZDUXNDESSN-QFIPXVFZSA-N 459.637 2.407 30 10 JEEE C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)N2CC[C@@H](O)[C@@H](O)C2)ccc1Cl 1635759811 IIOATBFXAFBLKT-MOPGFXCFSA-N 468.934 2.428 30 10 JEEE C#CCN1CCC[C@H]1C(=O)N1CC[C@@H](c2ccc(OC)c(F)c2)[C@@H](NC(=O)C(F)(F)F)C1 1639981612 VMGIYYUEFGBURW-SZMVWBNQSA-N 455.452 2.295 30 10 JEEE N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCO[C@H](c3ccc(OC(F)F)cc3)C2)c1 1641436746 COZHEORXCVSHLF-SFHVURJKSA-N 451.451 2.038 30 10 JEEE CCOc1ccc(S(=O)(=O)NCC(=O)NC2CCC(Oc3ncccc3C#N)CC2)cc1 1641480320 BAFKFYHTAYMIEE-UHFFFAOYSA-N 458.540 2.137 30 10 JEEE C=C(C)C[C@H](NC(=O)c1cc(S(N)(=O)=O)cc(Br)c1Cl)C(=O)OCC 1644563604 LMVMIXBGWRBIGW-LBPRGKRZSA-N 453.742 2.378 30 10 JEEE N#Cc1ccc(CN2CC[C@@H](NC(=O)NC[C@H](O)c3ccccc3Br)C2=O)cc1 1682226377 IFRULSVNERSRMG-MOPGFXCFSA-N 457.328 2.454 30 10 JEEE C#CCCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCO[C@H](C(=O)NC)C1 1689888255 FHDYIXURROLNFT-MOPGFXCFSA-N 474.606 2.147 30 10 JEEE C#CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1689915108 PXPPBKYGYDDEBK-IRXDYDNUSA-N 480.660 2.218 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H](C)SC)[C@H]1CCS(=O)(=O)C1 1689981752 AQNIZTIUYPWIMI-WBVHZDCISA-N 464.613 2.341 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2Cc2cccc(N3CCOCC3)n2)CC1 1690136564 HGHVGEDBEYGVTE-IBGZPJMESA-N 465.602 2.037 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2CCCNC(=O)c2cccc(O)c2)CC1 1690137278 SDVCOGIRDYLAGC-GOSISDBHSA-N 466.586 2.283 30 10 JEEE C#CCSCCn1c(N2CCN([C@@H](C)C(F)(F)F)CC2)nnc1[C@]1(OCC)CCOC1 1690186843 VXIMQDBWQMBSOT-LPHOPBHVSA-N 461.554 2.369 30 10 JEEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1C[C@@H](C(=O)OC)[C@H](CNC(=O)OC(C)(C)C)C1 1690313121 LQMCOUXOGFYCBS-IPMKNSEASA-N 493.605 2.125 30 10 JEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccccc2CN2CCC[C@@H]2CO)CC1 1690364852 YRHAVVNCZOTTIB-SIKLNZKXSA-N 488.658 2.050 30 10 JEEE C=CCC(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1690437587 IVKRKVFKSRDWNB-MRXNPFEDSA-N 497.629 2.404 30 10 JEEE C=CCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(N(C)C(C)=O)CC1 1690500529 YCUBAQNOONRBSV-UHFFFAOYSA-N 475.615 2.388 30 10 JEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OCC(C)C)cc1 1690528064 WNQAOFIEYIOWRB-HXUWFJFHSA-N 463.604 2.316 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCCS1(=O)=O 1690565957 YSRLXBKXRHTFSV-UXHICEINSA-N 478.640 2.340 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(c2c[nH]c3ccccc23)CC1 1690660433 HHSIJLYDLOGVNC-INIZCTEOSA-N 485.614 2.056 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1690668983 PGABMUMZMMVGQO-UHFFFAOYSA-N 492.584 2.486 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCn2nc(C)nc2C1 1690717835 RXVGIEXAHVSSKH-UHFFFAOYSA-N 479.513 2.067 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCN(C[C@@H](O)c3ccccc3)CC2)nnc1C(C)(C)C 1690732265 XWLOXGHAUZNMJM-HXUWFJFHSA-N 461.632 2.032 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CCC1(C)CC1 1692804578 BITZMSZVDOWQGC-GOSISDBHSA-N 471.631 2.272 30 10 JEEE Cc1ccc(Cn2c(C3CCN(c4ncccn4)CC3)nnc2N(C)[C@H](C)CC#N)c(=O)n1C 1693095535 GGXRGTHYGGHFKC-GOSISDBHSA-N 461.574 2.246 30 10 JEEE C[C@H]1COCCN1c1nnc(COc2ccc(C#N)cc2)n1CCCN1CCCO[C@H](C)C1 1693843476 HQZJEAINIUEOFV-VQTJNVASSA-N 454.575 2.455 30 10 JEEE CC[C@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC1(S(C)(=O)=O)CCC1 1694125599 DZHUPSQWRKOOBK-DLBZAZTESA-N 472.619 2.136 30 10 JEEE CCN1CCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1695843059 DOVZRXZJIRYSBS-IRLDBZIGSA-N 485.658 2.409 30 10 JEEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@](C)(O)C(C)C)C[C@H]1C 1698096412 GDWCLYFOLUQPPJ-DVECYGJZSA-N 456.591 2.293 30 10 JEEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1705509204 FBAIAIOBPVGWKB-QFIPXVFZSA-N 457.556 2.183 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1nc(C(F)(F)F)cs1)[C@H]1CCS(=O)(=O)C1 1705564898 FJNBTSXVQCZZHP-KGLIPLIRSA-N 489.545 2.322 30 10 JEEE C#CCN(CC#C)c1nnc(CCc2ccccc2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1705585428 RVMHXPBULZDWJW-GOTSBHOMSA-N 459.573 2.482 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccccc2Br)n1C[C@@H]1CCS(=O)(=O)C1 1705625074 VTGXOFLGNLWBDW-HNNXBMFYSA-N 467.389 2.228 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@H](C)N2CCc3ccccc32)CC1 1705635329 WEXFSLKRLXYFIW-RTWAWAEBSA-N 452.603 2.209 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H]2CCCCO2)CC1 1705647037 XYBZILXKNWIHNG-FQEVSTJZSA-N 467.570 2.497 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2C[C@@H]2CN(CC(C)C)CCO2)CC1 1705649122 KXSRQUCTFZNCIG-QFIPXVFZSA-N 494.640 2.276 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CSc3ccc(Cl)cc3)n2Cc2cnnn2C)CC1 1705652478 AUTONPPWNSBWMF-UHFFFAOYSA-N 485.017 2.366 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@H](c2ccc(F)cc2)N(C)C)CC1 1705652564 DZONHBQWSSGIFL-OAQYLSRUSA-N 456.566 2.222 30 10 JEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 1705652585 FQGPNXTVTKJNPU-HZPDHXFCSA-N 450.609 2.132 30 10 JEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2cc(C)ccc2OC)CC1 1705659630 BOZIKEHYHXBMOC-HXUWFJFHSA-N 468.627 2.235 30 10 JEEE C=C(Cl)Cn1c(-c2ccc(Br)cc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1705749875 LFQUANMZASBVQI-UHFFFAOYSA-N 493.793 2.387 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC[C@@H](n3nc(C)cc3C)C2)nnc1[C@]1(OC(C)C)CCOC1 1705909127 NXYLLWGMWDOCMK-YKSBVNFPSA-N 471.606 2.276 30 10 JEEE CCCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1709849243 AWYDSMOOCHSZJM-HXUWFJFHSA-N 487.612 2.356 30 10 JEEE CS(=O)(=O)NC[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2cccnc2)C1 1712708614 FASVZCKLANDACX-NRFANRHFSA-N 495.609 2.132 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CN(CC(C)C)CCO1 1722291428 QDMWCZZFQGAEOG-PWRODBHTSA-N 490.649 2.401 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCC(F)(F)F)CC1CC1 1722332193 FXILUUSNHOSRFE-INIZCTEOSA-N 463.526 2.193 30 10 JEEE C#CCCCn1c(COc2ccc(C)cc2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1722340310 UFUHPXWFICSIDU-QFIPXVFZSA-N 487.626 2.210 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1oc2ccc(F)cc2c1C)[C@@H]1CCS(=O)(=O)C1 1722358615 JOPYCFRJNRKDNY-QGZVFWFLSA-N 487.557 2.285 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1CCCN(C(C)=O)C1 1722370830 PGQSWPSDYRYDLM-HXUWFJFHSA-N 466.973 2.193 30 10 JEEE C#CCN(c1nnc(CCOc2ccccc2)n1C[C@@]1(O)CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1722371841 MCPBEOIICCHBSC-NLFFAJNJSA-N 486.638 2.468 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1CC1(N2CCC(OC)CC2)CCCC1 1722371856 ZEFVBZIQDJFEIL-UHFFFAOYSA-N 452.603 2.011 30 10 JEEE C#CCN(CC#CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC1=CCCOC1 1722398679 IEBBULMSKJZDBU-UHFFFAOYSA-N 458.610 2.452 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1CC1(NC(=O)OC(C)(C)C)COC1 1722426397 HRPVHUCIOYRJGU-HXUWFJFHSA-N 499.568 2.170 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCCCN2CCOCC2)CC1 1722432552 YFVURWQYBRJQGQ-OAQYLSRUSA-N 470.593 2.425 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2cccc(C(F)(F)F)n2)CC1 1722450939 UBLWIBFZFYFBGB-UHFFFAOYSA-N 450.465 2.243 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2cc(C)ccc2C)nnc1N1CCO[C@H](C(=O)NC)C1 1722504034 MTUAVEWWXVLIPE-NWSQWKLXSA-N 469.586 2.406 30 10 JEEE C=C(Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C(C)C)C1)c1ccccc1 1722539931 DROZMCCJHNDDLB-NHCUHLMSSA-N 475.615 2.186 30 10 JEEE C=CCC(C)(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1722585562 ASNQWDRSAQCLJY-UHFFFAOYSA-N 485.618 2.041 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCCC(F)(F)C1 1722680968 DWXIKWWKHDETKC-MSOLQXFVSA-N 491.605 2.465 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CCC(C(=O)OC)CC1 1722694035 JOLRGKJUDLXGCL-UHFFFAOYSA-N 462.348 2.399 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccc(S(C)(=O)=O)cc2)C1 1722710351 HIZIIWYTEBYQQD-WMZHIEFXSA-N 476.599 2.163 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(OC)cc2OC)C1 1722719725 YZFDUUMDHANKTA-HKUYNNGSSA-N 462.572 2.027 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@](F)(C#N)C1 1722728481 VALAZJBNERNMJU-NRFANRHFSA-N 455.519 2.174 30 10 JEEE CC(=O)NC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCCS2)CCO1 1722848345 HLFMOXOZJDDYGB-NHCUHLMSSA-N 470.599 2.356 30 10 JEEE COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2CCN(C(C)=O)CC2)C[C@H](C)O1 1730608652 DXDIMDKUKMCPAD-FDDCHVKYSA-N 482.585 2.227 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CCc1ccc(S(N)(=O)=O)cc1 1740536566 JJDILOHNWNPZFZ-CYBMUJFWSA-N 477.388 2.384 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3OCC)n2CC2(C(N)=O)CCCC2)CC1 1740700263 MHNKMUCASAQWPI-UHFFFAOYSA-N 466.586 2.057 30 10 JEEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1740715347 XKOFWTLJAICPMF-FQEVSTJZSA-N 467.643 2.230 30 10 JEEE C=C(Cl)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1740804804 FLWFKUQXHSNIRP-UHFFFAOYSA-N 460.966 2.115 30 10 JEEE C=C(Cl)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1740806817 GFEGFNMDKAKXJX-UHFFFAOYSA-N 460.966 2.115 30 10 JEEE C=C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCNS(=O)(=O)c2ccc(C)s2)CC1 1740818566 NLZIVVJLOVZWJC-UHFFFAOYSA-N 487.611 2.430 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC[C@H]1c1ccc(COC)o1 1740991681 BOSIQUDERSMDRC-WMZOPIPTSA-N 450.561 2.464 30 10 JEEE C[C@H](CN1CCOCC1)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1ccc(C#N)cc1 1741874755 AXGMFYWZMWLYQP-LJQANCHMSA-N 474.569 2.402 30 10 JEEE C[C@H](CN1CCOCC1)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCO[C@@H](C#N)C1 1741876730 GQYKRDJXFROLQI-QRVBRYPASA-N 458.538 2.254 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2Cl)n1CCS(=O)(=O)N1CCSCC1 1748659507 ITYZTWDMAROBID-OAHLLOKOSA-N 454.021 2.435 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1nccnc1C 1748673162 CIMAVHONZOSBRS-LPHOPBHVSA-N 455.563 2.386 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1CCc1ccccc1OC(F)F)[C@@H]1CCS(=O)(=O)C1 1748817029 CMRKVTVGDMXWHP-ZWKOTPCHSA-N 480.537 2.253 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(CCOC)CC1 1748860569 YGPFLTUTEBKEBH-LJQANCHMSA-N 457.575 2.476 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(N2CCOC2=O)cc1 1748948792 WLPQAQNQDOGXKC-UHFFFAOYSA-N 475.509 2.016 30 10 JEEE C#CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@]2(CCC(=O)N2)C1 1749023232 PTNWFNMVHZKYQZ-LJQANCHMSA-N 463.405 2.271 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(c2nc(C)cs2)CC1 1749660840 UPPPHPSGFLWQII-UHFFFAOYSA-N 483.598 2.356 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1749663892 BHNPDKPKEWHPMP-GOSISDBHSA-N 470.574 2.286 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(c2ccccn2)CC1 1749726767 DBOYYIMRNOAHFW-UHFFFAOYSA-N 498.609 2.285 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@H](OC)C1 1749735277 QVAZJUPPVIDSMX-SFHVURJKSA-N 483.635 2.219 30 10 JEEE C[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(O)(C(F)(F)F)CC1)N1CCOCC1 1751122387 HILODAVGBCQWJR-INIZCTEOSA-N 464.492 2.431 30 10 JEEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1760181279 RTDZNHUJUWTLSN-HYBUGGRVSA-N 488.610 2.002 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1ccc(F)cc1F)[C@@H]1CCS(=O)(=O)C1 1760189448 IVQWMWJWYOZOEQ-LJQANCHMSA-N 457.506 2.217 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCc2cc(OC)ccc21 1760206378 XZBOURAHSAUOQW-WOJBJXKFSA-N 452.580 2.382 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)cc2OC)n1CCN/C(O)=C1/N=CC=CC1=O 1760291727 ADBZPOPVBWHXSF-KFXXGIBVSA-N 476.537 2.481 30 10 JEEE C=CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1760508841 NPXOJLKAKOLQKD-UHFFFAOYSA-N 467.530 2.205 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(CS(C)(=O)=O)cc1 1760686921 BTMOAXQKBMGUDS-INIZCTEOSA-N 467.555 2.114 30 10 JEEE C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCNS(C)(=O)=O 1761522104 IEKLINHKNQUELW-MGPUTAFESA-N 450.540 2.236 30 10 JEEE CC[C@@H](C)N(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1763894126 APMZMZVDHHZIQR-OFNKIYASSA-N 478.645 2.290 30 10 JEEE CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1766688591 FQBFCNAOBUOFJN-PMACEKPBSA-N 459.572 2.404 30 10 JEEE CCNC(=O)C1(Cn2c(-c3cccc(C#N)c3)nnc2N(CC)[C@@H]2CCS(=O)(=O)C2)CCC1 1767191873 DUTVFUISTDTUOB-LJQANCHMSA-N 470.599 2.137 30 10 JEEE COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)N2CCC[C@H](C)C2)CC1 1769135782 FBCRBDUEJNOGAU-PMACEKPBSA-N 465.602 2.232 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)COc2cccnc2NC(=O)N2CCC[C@H]2C(=O)O)nc1C 1858793009 ZVJMLVVJBXLFIN-ZDUSSCGKSA-N 489.510 2.288 30 10 JEEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@@H]1c1ccc(O)c([N+](=O)[O-])c1 1862466843 BPRJUUBVILASJU-SFHVURJKSA-N 479.367 2.432 30 10 JEEE CC(=O)Nc1nc(-c2cccs2)c(CC(=O)N[C@@H](CO)C(=O)Nc2ccc(C#N)cc2)s1 1866637532 ZDRBWVIGVXXHDK-HNNXBMFYSA-N 469.548 2.360 30 10 JEEE O=C(NCCCn1ccnc1)[C@H](CSCc1ccccc1)N=C1NS(=O)(=O)c2ccccc21 1869932097 TXYYEBITTGMNJU-FQEVSTJZSA-N 483.619 2.430 30 10 JEEE CN(C1CN(c2nccnc2C#N)C1)S(=O)(=O)c1cc(Br)ccc1Br 1891577996 QXLVMBFVMJDYIR-UHFFFAOYSA-N 487.177 2.383 30 10 JEEE N#C[C@H](C(=O)Nc1c(I)ncnc1I)C1CC1 2008292787 CJDGBSLWKVBNPF-LURJTMIESA-N 454.009 2.174 30 10 JEEE N#Cc1ccc(C(=O)OCC(=O)NCCN2C(=O)SC(=Cc3ccc4c(c3)OCO4)C2=O)cc1 2053606820 SBBCNHPGEBVKJO-UHFFFAOYSA-N 479.470 2.296 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NC2(CNC(=O)OC(C)(C)C)CCOCC2)C1 2255194557 WNRSIIHGMNVFJC-UHFFFAOYSA-N 451.564 2.483 30 10 JEEE CC1(C)OB(c2cc(C(=O)N[C@H](CNC(=O)OCc3ccccc3)C(F)(F)F)[nH]n2)OC1(C)C 2255629129 RFYIQQMHXXVCLE-OAHLLOKOSA-N 482.268 2.296 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCN(S(=O)(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2255752714 KWWTYGKQBUWYNH-INIZCTEOSA-N 452.382 2.274 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)[C@@H](O)C1 2255832129 HZMCJOPEKOCNMM-ZFWWWQNUSA-N 452.382 2.005 30 10 JEEE C[C@@H](NC(=O)COCCNC(=O)OC(C)(C)C)c1nscc1B1OC(C)(C)C(C)(C)O1 2256617640 LEDQVRWLQMEDHY-CYBMUJFWSA-N 455.386 2.161 30 10 JEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CCNC(=O)[C@@H]2C[C@@H]2B2OC(C)(C)C(C)(C)O2)C1 2267097780 SCYQIYKQVVPUEQ-OAGGEKHMSA-N 472.413 2.009 30 10 JEEE CC(C)C[C@H](CNC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1)NC(=O)OC(C)(C)C 2267171352 IVVPVXHICAFGCP-OAHLLOKOSA-N 450.389 2.389 30 10 JEEE C=C(CS(=O)(=O)N1CCN(CCCNC(=O)OC(C)(C)C)CC1)B1OC(C)(C)C(C)(C)O1 2267466461 APOYPRDSDSCCDD-UHFFFAOYSA-N 473.445 2.036 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@H]1CNS(=O)(=O)c1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2267468771 MUENTBURHAJPIH-GUYCJALGSA-N 470.372 2.316 30 10 JEEE CNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1C 2267706642 CCMNVNWKRJYQFW-UHFFFAOYSA-N 458.389 2.231 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(F)c(C(=O)N(C)C[C@H](O)CNC(=O)OC(C)(C)C)c1 2282025896 VFPNSSCZGABUPY-OAHLLOKOSA-N 466.359 2.391 30 10 JEEE C[C@H](CNC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 2282029191 PAEFMLXXDPYXHL-PEBXRYMYSA-N 481.424 2.180 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)N1C[C@@H](O)C[C@H]1CNC(=O)OC(C)(C)C 2282150469 UAJYNYLSINFASV-ROUUACIJSA-N 460.380 2.394 30 10 JEEE C[C@@H]1CC[C@H](NS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CN1C(=O)OC(C)(C)C 2282351365 ZLBAHQDOVIPYTE-WBVHZDCISA-N 481.424 2.447 30 10 JEEE Cn1ncc(C(=O)N[C@@H]2C[C@H](CNC(=O)OC(C)(C)C)C2(C)C)c1B1OC(C)(C)C(C)(C)O1 2282558021 DIIMURKQQDTQTA-GDBMZVCRSA-N 462.400 2.389 30 10 JEEE CCc1nn(C)c(C(=O)N2C[C@H]3C[C@H]2[C@H]3NC(=O)OCc2ccccc2)c1B1OC(C)(C)C(C)(C)O1 2282559573 KAWRRLVLJRVKIT-LMNJBCLMSA-N 494.401 2.421 30 10 JEEE Cc1c(C(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282593601 SSMHCLYFPRJUEQ-OAGGEKHMSA-N 460.384 2.155 30 10 JEEE C[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)N(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)C1 2282629047 REESBVUXQXPAOV-JKSUJKDBSA-N 462.400 2.485 30 10 JEEE Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 2282683541 FFKPXRPJLPIRNC-DEOSSOPVSA-N 460.380 2.396 30 10 JEEE C[C@@H](O)CN(CCNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1O)C(=O)OC(C)(C)C 2282823586 WEDRKYHXLVRHRA-OAHLLOKOSA-N 464.368 2.039 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)CNc2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)CC1 2283027317 MQRDLSNZEJYAMR-UHFFFAOYSA-N 460.384 2.059 30 10 JEEE COC(=O)[C@@H](CC(=O)N[C@H](C)c1nscc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2283927065 WFCOGLGAJVSWGR-TZMCWYRMSA-N 483.396 2.076 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1CCc2c(B3OC(C)(C)C(C)(C)O3)cccc21 2283947563 BTJKBRPDQQATBE-HNAYVOBHSA-N 458.364 2.245 30 10 JEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2283949638 AZAMODMGCZTZAL-GOEBONIOSA-N 465.331 2.340 30 10 JEEE CC(C)(C)OC(=O)NC[C@]1(C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)CCCOC1 2283974989 OHTMTSIZLQHTHJ-JOCHJYFZSA-N 481.424 2.380 30 10 JEEE C[C@@H](NC(=O)C[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1)c1nscc1B1OC(C)(C)C(C)(C)O1 2283976678 GYDFQTBQHQENFE-PEBXRYMYSA-N 481.424 2.382 30 10 JEEE COC(=O)c1ccc([C@@H]2C(C(=O)C=Cc3ccco3)=C(O)C(=O)N2CCN2CCOCC2)cc1 2314522709 UKPLYRGFPFLCIS-JOCHJYFZSA-N 466.490 2.376 30 10 JEEE COc1ccc(OC)c(C=CC(=O)[C@@H]2CNCC[C@@H]2NC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)c1 2328155835 NDWWUMPMETUQLY-HVETUWLQSA-N 491.544 2.065 30 10 JEEE COc1cc(C=Nn2c(CNC(C)=O)nnc2SCCO)ccc1OC(=O)c1ccccc1 2330794369 FVJFOGZRCRADLR-UHFFFAOYSA-N 469.523 2.109 30 10 JEEE C=CCn1c(=O)c2sc(N3CCCCC3)nc2n(CC(=O)NCc2ccc(F)cc2)c1=O 21655709 YIJSERKZWCKMPX-UHFFFAOYSA-N 457.531 2.252 30 10 JEEE CC(=O)OCC(=O)[C@@]1(O)[C@@H](C)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 77270429 ISSQQUKLQJHHOR-RYRQIHONSA-N 452.494 2.415 30 10 JEEE in-vitro COC(=O)c1[nH]c(C)c(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccccc2OC)c1C 103110658 CRAYPVCUEHYCRV-LAGVDGIJSA-N 497.548 2.181 30 10 JEEE Cc1ccc(/C(N)=N/O)c(-n2cnc(I)c2I)c1 302490040 UPTYTKUSFYLNPB-UHFFFAOYSA-N 468.036 2.484 30 10 JEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)s2)c(=O)n1-c1ccccc1C#N 515663734 KNANUVVKKFVDDJ-UHFFFAOYSA-N 452.948 2.291 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)CNc2ccc(-n3cnnn3)c(OCC=C)c2)nc1C 586267408 BZFPVWGBCZDEPF-UHFFFAOYSA-N 455.500 2.385 30 10 JEEE CCCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1[C@@H](C)c1ccccc1 729669353 MCOBKENTGCTLFN-KRWDZBQOSA-N 457.559 2.196 30 10 JEEE COc1ccc(Cn2c(=C(C#N)C(=O)C(C)C)sc(=Cc3cnn4ccccc34)c2=O)cc1 729671385 IINLPNBRSBHKJP-UHFFFAOYSA-N 458.543 2.343 30 10 JEEE O=C(NCC#CC(=O)N1CCn2ncc(C(=O)O)c21)OCC1c2ccccc2-c2ccccc21 757564274 GYDIRIJSWZPGAJ-UHFFFAOYSA-N 456.458 2.470 30 10 JEEE CC(=NNc1nnc(SCC(=O)Nc2ccc3c(c2)OCCO3)n1N)c1ccc(F)cc1 1083978726 WELMJVOJKVAGMM-UHFFFAOYSA-N 457.491 2.469 30 10 JEEE COc1ccc(CN(C)C(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)cc1OC 1115913102 CUCLSDBTAQOAGP-GOSISDBHSA-N 451.479 2.130 30 10 JEEE C=CCOC[C@H](NC(=O)c1ccc2c(=O)n(-c3ccccc3F)c(S)nc2c1)C(=O)OC 1139175564 IEVDGYISMGDFKI-KRWDZBQOSA-N 457.483 2.288 30 10 JEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1O 1165508882 XTYPHMITTYDKDC-UHFFFAOYSA-N 458.536 2.288 30 10 JEEE C#CCOc1ccccc1CNC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 1265224188 VMJCTWLICNAWQF-HXUWFJFHSA-N 457.508 2.466 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)cc(C)c2)n1CCS(=O)(=O)N1CCSCC1 1286301523 MIWNBRKLFMOJMU-LJQANCHMSA-N 477.656 2.310 30 10 JEEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1 1286356090 KLKPXVYWUMKGJX-UHFFFAOYSA-N 454.962 2.430 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1CCc1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1286388579 RSWGXZCGIQUDQU-LJQANCHMSA-N 499.593 2.437 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1c[nH]c2c(C)cccc12 1286419562 AULNTRHMZLVSET-GOSISDBHSA-N 452.584 2.384 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1CC1(N2CCC(OC)CC2)CCCC1 1286462671 QLMWVFFXWCBOKG-UHFFFAOYSA-N 453.591 2.245 30 10 JEEE C#CCSCCn1c(Cc2ccc(F)cc2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1286506678 ZLPISZSCPGWZBA-CVDCTZTESA-N 484.645 2.363 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1286557247 HSXUOZKHGGBFSU-ZSRQGECASA-N 476.524 2.489 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1Cc1cccs1 1286592476 HBPJVVIWSHIPBB-SJLPKXTDSA-N 451.618 2.460 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1286612527 VLRVYWSEDGMRJB-OAQYLSRUSA-N 474.650 2.336 30 10 JEEE CC(=O)Nc1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N(CCS(C)(=O)=O)C2CC2)cn1 1286893257 AIFQOAIGUDEQAF-UHFFFAOYSA-N 479.566 2.232 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cc(OC)c(OC)cc2C(=O)OC)s1 1289955629 AGZHUPTXTFWHAG-UHFFFAOYSA-N 454.526 2.197 30 10 JEEE C[C@@H]1C[C@@H](C)CN(CCCn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@@H](C#N)C2)C1 1291014673 GQVYCCBDJRYFNO-QRVBRYPASA-N 471.631 2.366 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@@H]1CCOC1 1292123694 IFFBWKPEPCODLA-NRFANRHFSA-N 465.602 2.427 30 10 JEEE CCOC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCN(C(C)C)CC2)CC1 1296366693 AZOJXEQCFQRLDV-UHFFFAOYSA-N 481.601 2.331 30 10 JEEE CN(C)CC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1298078957 FCMRXBGJVWOTFS-OAQYLSRUSA-N 465.602 2.438 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCSC2)c1 1300334433 LYFRCKFXAYNEPI-OALUTQOASA-N 487.651 2.380 30 10 JEEE COc1cccc(-c2nnc(N(CCC#N)CCC(C)C)n2C[C@@]2(O)CCS(=O)(=O)C2)c1 1300354628 GGPMQTHVHVDIEN-QFIPXVFZSA-N 461.588 2.269 30 10 JEEE C#CCN(C)c1nnc(Cc2ccncc2)n1C[C@@H]1C[C@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1300466983 BZIHLCOUOINXCL-UFYCRDLUSA-N 452.559 2.358 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC1(CCOC)CCCCC1)[C@H]1CCS(=O)(=O)C1 1300495086 CMOOZTYVIABUDZ-UXHICEINSA-N 464.632 2.396 30 10 JEEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H](c1ccccc1)N1CCOCC1 1300512708 LRWZBOYOIXCPAR-JYFHCDHNSA-N 463.582 2.077 30 10 JEEE C#CCN(CCOC)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCCn2ccnc21 1300674666 BVNKFMNOEOABTE-QGZVFWFLSA-N 453.572 2.130 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](OC)c2ccc(Cl)cc2)CC1 1300729237 RPXMSVDNFGESQC-NRFANRHFSA-N 499.015 2.407 30 10 JEEE C=C1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCN2CCCS2(=O)=O)CC1 1301097170 QNKIUTSEQVOBIU-HDICACEKSA-N 480.635 2.241 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2(CC)CCOCC2)CC1 1301126316 SUJCMIVLCNANBT-LJQANCHMSA-N 467.636 2.220 30 10 JEEE C=CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1301194728 PFKXNARFMBXGDY-UHFFFAOYSA-N 451.575 2.182 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccccc1OC)C1CC1 1301326938 JKWCOVYUEKULRG-FQEVSTJZSA-N 461.588 2.017 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 1301490366 RTYDWJYMEVMWCN-MRXNPFEDSA-N 453.499 2.220 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)N2C[C@H](C)O[C@H](C)C2)C1 1301535535 LUUXCGDXFDWNGN-HSALFYBXSA-N 460.623 2.183 30 10 JEEE CS(=O)(=O)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCSC2(CCOCC2)C1 1302459708 DPOMNQJFDRIQHT-UHFFFAOYSA-N 491.639 2.266 30 10 JEEE C#CCCCn1c(Cc2cccnc2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 1358932002 VGCXPZDZSHZRKW-GMAHTHKFSA-N 463.630 2.494 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCCCN1C1CC1 1358971843 KSOMMTKEPKOIIF-OAQYLSRUSA-N 451.596 2.438 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC2CCS(=O)(=O)CC2)CC1 1359042848 WJUBIVUCKWNARV-UHFFFAOYSA-N 490.029 2.389 30 10 JEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCN(Cc2cnc(C)s2)CC1 1359135669 KZWJSMRKCNINLE-UHFFFAOYSA-N 459.620 2.080 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H]1[C@H]2CCC[C@H]21 1359300747 JHWZZYFTROTSHC-NTDBWNAOSA-N 460.579 2.123 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC(OC[C@H]2CCCCO2)CC1 1359330274 MRONLGHARUOZTB-HXUWFJFHSA-N 477.631 2.439 30 10 JEEE CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(N2CCCCC2=O)CC1 1501431734 GBBDUXGTEWZUNT-UHFFFAOYSA-N 479.585 2.188 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1 1507710910 MIFXQPSNWSSNRT-VAMGGRTRSA-N 465.664 2.023 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2CCCCN2CCCC)CC1 1507733286 SOLRPCYAMNMSHA-ZRBLBEILSA-N 458.651 2.412 30 10 JEEE C#CCSCCn1c(-c2ccc(Br)s2)nnc1N1CCO[C@H](CNC(C)=O)C1 1507749138 UDHHYKOGWGDOAA-CQSZACIVSA-N 484.445 2.477 30 10 JEEE C=C(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN([C@H](C)C(=O)NCCCOC)CC1 1507828030 OQPXKZNTFQZXEI-LJQANCHMSA-N 451.575 2.056 30 10 JEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(SC)CCN(C)CC2)CC1 1507896801 LRZAVSGYKZQCOQ-MRXNPFEDSA-N 456.682 2.118 30 10 JEEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@]2(CCOC2)C1 1507942323 OTIVTEXBRONSDJ-QFIPXVFZSA-N 461.588 2.157 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1cn(C2COC2)nn1 1508021126 QFPKCWXZGNGJPD-CALCHBBNSA-N 470.578 2.438 30 10 JEEE C[C@@H]1CCCN(C(C)(C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCNC(=O)C2)C1 1512180085 AWWRMSNQAGZXAM-GOSISDBHSA-N 451.575 2.175 30 10 JEEE C=CCN(C(=O)C1CCN(S(=O)(=O)c2ccc(C(=O)OCC)cc2)CC1)[C@H](C)COC 1532289670 DULIXLIPVQUOGB-QGZVFWFLSA-N 452.573 2.314 30 10 JEEE C#CC1(NC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)CCCC1 1533455434 BQNUKFKWNWANDE-UHFFFAOYSA-N 451.976 2.015 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Cl)n1CCSCCCO)[C@H]1CCS(=O)(=O)C1 1539210067 ANJFJEGQGPIVLL-INIZCTEOSA-N 469.032 2.341 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1ccc(NC(C)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1539215553 FHIIDEKVZZJVTL-OAQYLSRUSA-N 478.578 2.282 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2CCN2CCCCC2)CC1 1539490651 YIZWDKVMPVNKOB-UHFFFAOYSA-N 468.577 2.448 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(CC(C)C)C(=O)C1 1539614818 CRCDHIHLNVAXBK-GHTZIAJQSA-N 460.623 2.482 30 10 JEEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCOCC2)c(F)c1)C1CC1 1540094331 FRAWEEQDHNJPDO-INIZCTEOSA-N 478.594 2.067 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCO[C@H](c2ccco2)C1 1540864863 NMPSVTHCDIEYCH-FQEVSTJZSA-N 483.525 2.444 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1540866206 GPWKPNQNLRDPLA-UHFFFAOYSA-N 491.999 2.030 30 10 JEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1540874897 VHBGNKUYDISAFA-UHFFFAOYSA-N 494.003 2.294 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCCN(C(C)(C)C)CC1 1540875768 XPEXWMASGFNHSJ-UHFFFAOYSA-N 456.591 2.479 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(CCC(N)=O)CC1 1540900094 KXPLEIZKZQWYGT-UHFFFAOYSA-N 466.995 2.076 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1Cn1cccn1 1541115570 BJYBAKQXAWRDGQ-FXAWDEMLSA-N 453.572 2.069 30 10 JEEE C[C@H](CC#N)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@]1(N(C)C)CCSC1 1541799546 HKYIFDGWUYQMFO-VGSWGCGISA-N 491.687 2.371 30 10 JEEE Cc1ccoc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2C#N)CC1 1542096934 BOPAIVSYUOGUKS-KRWDZBQOSA-N 469.571 2.036 30 10 JEEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3ncn(CC(=O)N4CCCCCC4)n3)n[nH]2)c1C 1542733662 UFMWZASFQLGOSZ-UHFFFAOYSA-N 451.535 2.322 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Cl)n1C[C@H]1CCCN1CCCO)[C@H]1CCS(=O)(=O)C1 1588045564 MSKCRQWQTHFEHE-MOPGFXCFSA-N 492.045 2.072 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1c(F)cc(F)c(F)c1F)[C@@H]1CCS(=O)(=O)C1 1588055222 UAWRKWAUPLZSQU-UONOGXRCSA-N 486.491 2.404 30 10 JEEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1Cc1cnn(C)c1C)[C@H]1CCS(=O)(=O)C1 1588069185 JEMVSXBAZQRBNR-NRFANRHFSA-N 482.610 2.191 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1588628438 INGFYDWGVZIXBX-SFHVURJKSA-N 457.579 2.412 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC(C)(C)C(=O)NC)CC1 1588891378 OXLVEJARDZPSQP-KRWDZBQOSA-N 484.576 2.295 30 10 JEEE C#CCSCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1589060194 OJFQVXNHIJFVPR-QZTJIDSGSA-N 497.687 2.382 30 10 JEEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1589109606 HEQTXMKUMDMNGK-JKSBSHDWSA-N 475.640 2.409 30 10 JEEE C=CCN(Cc1cccs1)c1nnc(C(=O)Nc2ccccn2)n1CCN1CCN(C(C)=O)CC1 1595142190 OHYBIHHAZJYWTP-UHFFFAOYSA-N 494.625 2.344 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(C(N)=O)CC1 1595664953 MDGNIFGBIXWUEG-FPOVZHCZSA-N 455.559 2.317 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@H](C)O[C@H](C)C1 1595765573 DHJDXPVMFAGQNB-IYBDPMFKSA-N 450.561 2.177 30 10 JEEE C=CCSCCn1c(-c2ccccn2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1595866464 LWEKJVVHJUZAFS-UHFFFAOYSA-N 450.572 2.080 30 10 JEEE Cc1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1612590389 GMXHUTMOIYHUHF-HSZRJFAPSA-N 464.618 2.118 30 10 JEEE C[C@@H]1C[C@@H](CCn2c(-c3cccc(C#N)c3)nnc2N2CCN(CC(=O)N(C)C)CC2)CCO1 1612679494 CTKSVQPHLFUPOD-UXHICEINSA-N 465.602 2.232 30 10 JEEE CC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)N2CCSCC2)C[C@H](C)O1 1614214892 AUYPVYUUNZRIQS-FXAWDEMLSA-N 490.655 2.199 30 10 JEEE CCOc1ccccc1OCc1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H](C)N1CCOCC1 1616473003 FDAVDONFJVZFRP-JPYJTQIMSA-N 458.538 2.418 30 10 JEEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2Cc2nccn2C(F)F)c1 1617705536 BCQYRJNUCQVUQB-HXUWFJFHSA-N 494.503 2.277 30 10 JEEE COCC1(Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3c(C#N)c(C)nn3C)CC2)CCCCC1 1619642886 CCRXJQIOWOUWTB-UHFFFAOYSA-N 497.648 2.253 30 10 JEEE N#Cc1cc(S(=O)(=O)NCCN2Cc3ccccc3OCC2=O)ccc1Br 1665437680 HEUFIYWEMJGEAC-UHFFFAOYSA-N 450.314 2.020 30 10 JEEE C#CCN1CCC[C@H](NC(=O)NCc2ccnc(N3CCN(c4ccc(F)cc4)CC3)c2)C1 1675509761 IEWXTSJVQXCAOZ-QFIPXVFZSA-N 450.562 2.444 30 10 JEEE C#C[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)OCC)cc2)CC1)c1ccccc1 1683508127 MTLCHBDYTIGZGI-NRFANRHFSA-N 455.536 2.254 30 10 JEEE C#CCNS(=O)(=O)N1CCN(C(=O)NCC2(c3ccc(Cl)cc3)CCCCC2)CC1 1683692695 DIRHFHMOJZOUMJ-UHFFFAOYSA-N 453.008 2.337 30 10 JEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)N(C)Cc1ccccc1 1689965688 BEJNJJGODCAFRZ-FQEVSTJZSA-N 482.585 2.315 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1C[C@@H]1CCCN(C(C)=O)C1)[C@@H]1CCS(=O)(=O)C1 1689984752 USGVDTLLDKCGTP-FYYLOGMGSA-N 483.638 2.393 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCN(CC)CCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1689998891 ZWUDDUVFLLWVRT-DLBZAZTESA-N 477.553 2.031 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCO3)n1CC1(OCCOC)CCOCC1 1690040940 UHYIRKBRVCYAFA-UHFFFAOYSA-N 466.538 2.349 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1OC(F)(F)F 1690077255 LMMDBXLLFFTIBC-KRWDZBQOSA-N 487.504 2.017 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(C)nc3ccccc23)n1CCNC(=O)c1cc[nH]n1 1690095339 NGUDQTCASAVBDL-UHFFFAOYSA-N 458.526 2.041 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@]2(O)CCC[C@H]2C)CC1 1690113312 GJIZJNXZOIYZES-IIBYNOLFSA-N 461.408 2.352 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCNC(=O)c2cccc(C)c2)CC1 1690142604 REKJZTWPUQOUMM-UHFFFAOYSA-N 471.565 2.044 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCNC(=O)[C@H](C)CCC 1690198589 UYRTVQIKCJGQMN-HOYKHHGWSA-N 461.574 2.465 30 10 JEEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1690321954 PRSYGPYPIIOUKE-IHFIDZABSA-N 450.580 2.369 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1)C(C)C 1690581418 RFOSLHYYACKAGQ-BHDDXSALSA-N 483.661 2.270 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCN(CCOC)[C@@H](C)C1 1690662192 UFPBNRUMGKWXGU-HNNXBMFYSA-N 495.397 2.306 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCc3c(ccnc3O)C2)cc1 1690678901 DTWQHQPTDSFMFB-MRXNPFEDSA-N 484.582 2.165 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(c2ncnc3ccsc23)CC1 1690715418 LEBKZUUPMAYPQI-UHFFFAOYSA-N 461.617 2.334 30 10 JEEE C=CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@](C)(C(=O)NC)C1 1690747187 VQXUHCXODKYKIO-GAJHUEQPSA-N 494.662 2.468 30 10 JEEE CN(C)C(=O)[C@H]1CCCN1CCCn1c(-c2cccn2C)nnc1N1CCC[C@@](C)(C#N)C1 1696577793 BLOZNFFCLDASQH-YKSBVNFPSA-N 452.607 2.356 30 10 JEEE N#CCC1CCN(c2nnc(-c3cccnc3)n2CCNS(=O)(=O)c2ccccc2)CC1 1698491445 BWDYWLODYQKGDK-UHFFFAOYSA-N 451.556 2.449 30 10 JEEE C#CCCCCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1705521035 OLSYHRLRMRNTBP-GOSISDBHSA-N 466.521 2.332 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1Cc1nnc2n1CCCCC2 1705622370 GSLPIXZTIUGJOR-UHFFFAOYSA-N 473.379 2.488 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@](C)(O)c2ccco2)CC1 1705632523 SQQWSGOADXLMKF-RUZDIDTESA-N 462.554 2.403 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CC2(SC)CCOCC2)CC1 1705649964 JSVNUCRKUGGJJV-UHFFFAOYSA-N 468.627 2.142 30 10 JEEE C=CC1CCN(c2nnc(C(=O)NC(C)C)n2CCCN2C(=O)NC3(CCCC3)C2=O)CC1 1705776140 YNYOCBXRRXLKPB-UHFFFAOYSA-N 457.579 2.073 30 10 JEEE C=CCCCn1c(Nc2cnn([C@@H]3CC3(F)F)c2)nnc1[C@@H]1CN(S(C)(=O)=O)CCO1 1705824565 TYCNDALMWQFREZ-LSDHHAIUSA-N 457.507 2.097 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1705898616 RGQACNVKLJHDDG-LSDHHAIUSA-N 480.294 2.263 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CCN2[C@@H](C)CC[C@H]2C)CC1 1705903839 WELQIZHMSIDTIE-OYRHEFFESA-N 476.629 2.114 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCN2C[C@H](C)C[C@@H](C)C2)C1 1705926184 ZJDHJQCGUBIPCK-XRXFAXGQSA-N 465.664 2.330 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC[C@H](C(=O)OC)C1 1705930990 BDIWUTVKQHDDEW-SFHVURJKSA-N 484.582 2.325 30 10 JEEE CCOc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1CCCc1cnn(C)c1 1710568385 BXXSELXQLUSPFO-LJQANCHMSA-N 451.531 2.351 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2CCC(=O)NC(C)C)c1 1722306474 AMBKVCKBQPYTOC-UHFFFAOYSA-N 459.554 2.235 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CCCNC(=O)OC(C)(C)C)c1 1722310053 RTNBKUDBQHYYGJ-LJQANCHMSA-N 495.584 2.200 30 10 JEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1722323336 CXHFFGGBTXQWLM-IAGOWNOFSA-N 468.624 2.137 30 10 JEEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1C[C@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1722370958 GBQQDMDJXFJICE-AUSIDOKSSA-N 460.600 2.262 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@](C)(O)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1722372408 WDNRFTNTICPAHM-QPPBQGQZSA-N 488.658 2.098 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCN1CCOCC1(C)C 1722380537 PDFGZRPNELSMAG-UHFFFAOYSA-N 487.608 2.249 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC(=O)NC(C)C 1722394350 SHQPYUJXFNIUCN-UHFFFAOYSA-N 459.554 2.053 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(C)n2)n1CCc1ccc(S(C)(=O)=O)cc1 1722425449 ZIJWIQGQZITDPH-UHFFFAOYSA-N 453.568 2.381 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCCOc2ccccc2C)CC1 1722440328 CSBMLLOOXGFKDB-UHFFFAOYSA-N 478.597 2.257 30 10 JEEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2CC2(COC)CCOCC2)CC1 1722441919 USKQHKDJQNPJDS-UHFFFAOYSA-N 453.587 2.098 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H]2CC=CCO2)CC1 1722446815 CJZLHHRRJSXCGL-SFHVURJKSA-N 455.509 2.458 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCS[C@H](C)[C@@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 1722736835 KFTRPJOPYPKWJG-SQGPQFPESA-N 458.650 2.250 30 10 JEEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCN1CCN(C)C(C)(C)C1 1740560190 DBNNVOAPIBPWDH-DEOSSOPVSA-N 492.716 2.127 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC)n2C[C@H]2CCC[C@@H]2N2CCCS2(=O)=O)c1 1740564080 AJVQIBNFNOCCDK-CTNGQTDRSA-N 484.626 2.101 30 10 JEEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC2(CC1)CNC(=O)C2 1740581797 GDTPJBLNEAWZPM-UHFFFAOYSA-N 453.543 2.491 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1CCCc1nc(C)no1)[C@@H]1CCS(=O)(=O)C1 1740625625 RMGMHCGSUPNCNU-HXUWFJFHSA-N 468.583 2.014 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H]1CC(=O)N(CCOC)C1 1740634511 DWAPOMHLZMVCSV-KRWDZBQOSA-N 455.946 2.175 30 10 JEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCCN(c2ccc(OC)cc2)CC1 1740719212 BTFYUSVXJYYMFM-UHFFFAOYSA-N 468.627 2.492 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1CCNC(=O)c1ccc(C)c(F)c1 1740733503 GRQUOSMFUOEGSZ-XMMPIXPASA-N 452.534 2.270 30 10 JEEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(CC)Cc1nc(O)c2sccc2n1 1740777662 VVMVWOXZMVACKQ-LBPRGKRZSA-N 451.578 2.201 30 10 JEEE C=CC[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1)c1ccccc1 1740855329 UURLSNBDLDVFBZ-RTWAWAEBSA-N 486.642 2.392 30 10 JEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(=Cc2cccc(OC)c2)CC1 1740947243 VROVRGGTVREKQS-NRFANRHFSA-N 473.599 2.489 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CCN(CCOCC)CC1 1740955707 DGNXBXMXRVPMBI-UHFFFAOYSA-N 477.407 2.168 30 10 JEEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1740961683 WORYJZPVXDWSGN-HSZRJFAPSA-N 461.513 2.224 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cc4c(s3)CC[C@H](C)C4)n2CCNS(C)(=O)=O)C1 1740974919 QCQGGWUNYZFONK-RDJZCZTQSA-N 465.645 2.462 30 10 JEEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCS(=O)(=O)C(C)(C)C 1748679782 JCRIFQUFKOLIQX-NRFANRHFSA-N 486.686 2.314 30 10 JEEE C#CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1748751473 XQKCGSGESCEIOU-QZTJIDSGSA-N 465.620 2.429 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCCCc1ccccc1)[C@H]1CCS(=O)(=O)C1 1748811768 LCWFSOXGSVFTNU-NRFANRHFSA-N 452.584 2.328 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1CCc1ccc(OC)cc1OC)[C@H]1CCS(=O)(=O)C1 1748812656 YRHRNIMDGBLHTH-IBGZPJMESA-N 483.594 2.170 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1nc(C(F)(F)F)cs1)[C@H]1CCS(=O)(=O)C1 1748819189 MBKJSMZIBAWADM-HNNXBMFYSA-N 496.540 2.414 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@H](C)N(C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1748820899 JBZRZDZRUOVGBQ-JTHBVZDNSA-N 495.653 2.291 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@](C)(O)C(C)C)[C@H]1CCS(=O)(=O)C1 1748823757 BFMHQJLRBBEPIA-AVRDEDQJSA-N 464.563 2.030 30 10 JEEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1(N(C)C)CCC1 1748962554 KWTYWQZUDYBNFB-UHFFFAOYSA-N 452.607 2.022 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc(C)o3)n2C[C@]2(O)CCSC2)n1 1748970892 WMIIUYDTTXBKIW-JOCHJYFZSA-N 456.572 2.197 30 10 JEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(c2ccc(OC)cc2)CC1 1749630239 PJJUBOIRLXEITQ-FQEVSTJZSA-N 461.588 2.190 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N(CC)C[C@@H]1CCCO1 1749730721 OCFZDRTWJVRNLY-INIZCTEOSA-N 472.571 2.200 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)CC1CC(F)C1 1749734044 DMFDEUXFBLYIDR-UHFFFAOYSA-N 477.610 2.237 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(Cc2cccc(C)c2)CC1 1749734214 FYZKRVQVAXBFQP-NRFANRHFSA-N 459.616 2.013 30 10 JEEE C=CCSCCn1c(-c2cccn2C)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1749751211 MVJCEOFESBYELJ-NRFANRHFSA-N 473.691 2.434 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccnc(OC2CCOCC2)c1 1760096861 VTHSTXVSQMGGCD-KRWDZBQOSA-N 461.526 2.384 30 10 JEEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1C[C@@]1(OC)CCOC1)[C@H]1CCS(=O)(=O)C1 1760181212 RBGDQXHKCJYLEP-IMSXRSKXSA-N 472.611 2.252 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H]1N(C)CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1760190329 PDGBNVXJJFXFAV-RTWAWAEBSA-N 470.643 2.011 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CC(F)(F)CO1 1760240651 XZKIXZAGWFBBOZ-PBHICJAKSA-N 471.505 2.091 30 10 JEEE C=C(Br)Cn1c(N2CCCC[C@H](S(C)(=O)=O)C2)nnc1[C@@]1(OCC)CCOC1 1760313446 ARLWCMKMXMTOKZ-MAUKXSAKSA-N 477.425 2.242 30 10 JEEE C=CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1760506117 ITVFSYXTOYNUJA-HXUWFJFHSA-N 451.575 2.076 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 1760514933 OYSYDCKRHLKLAF-FQEVSTJZSA-N 474.528 2.028 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1760517447 MNXMIUXYJSKMGW-HXUWFJFHSA-N 493.337 2.180 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC(NS(C)(=O)=O)CC1 1760517910 BTGPHVSWZOPBFN-UHFFFAOYSA-N 487.413 2.072 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1760554151 SVRNOEJWLZRHGX-SFHVURJKSA-N 471.587 2.400 30 10 JEEE C=CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CCS(=O)(=O)CC1 1760560255 QURFSGRWBVOYCM-UHFFFAOYSA-N 460.423 2.200 30 10 JEEE CCN(CCn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)(=O)CC1)C(=O)OC(C)(C)C 1766883380 BMGWSDBYTXKHSB-UHFFFAOYSA-N 474.587 2.309 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 1772566956 RDZCAPMSZJWZHT-HXUWFJFHSA-N 458.607 2.297 30 10 JEEE CC(=O)Nc1nnc(S(=O)(=O)Nc2ccc3c(c2)OCCN3C(=O)c2cccc(C#N)c2)s1 1858472699 UHAPSTQWNLWBRF-UHFFFAOYSA-N 484.519 2.208 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)[C@@H](C)N3CCN(S(=O)(=O)c4cccs4)CC3)cc21 1858634441 XVOVRUVMMNDRCC-MRXNPFEDSA-N 475.592 2.237 30 10 JEEE C=CCOc1ccccc1[C@@H]1C(C(=O)N2CCN(C(C)=O)CC2)=C(N)Oc2c1c(CC)nn2CC 1865224260 DLAQWYRWEUFQAH-NRFANRHFSA-N 479.581 2.416 30 10 JEEE CC(=O)Oc1ccc(C[C@@H](NC(=O)CC[C@H]2CCS(=O)(=O)C2)C(=O)Nc2ccc(C#N)cc2)cc1 1866928805 HGYVDTAZFWDLIW-NZQKXSOJSA-N 497.573 2.364 30 10 JEEE CC1(C)OB(c2ccc(S(=O)(=O)N(OCc3ccccc3)C3CNC3)s2)OC1(C)C 2247880189 CHXBRJPTNBAIHY-UHFFFAOYSA-N 450.391 2.142 30 10 JEEE C=C(CS(=O)(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1SC)B1OC(C)(C)C(C)(C)O1 2247961810 ILXVCZQRLOUNNO-HUUCEWRRSA-N 462.443 2.444 30 10 JEEE CC(C)(C)OC(=O)N1CC([C@@H](F)CNC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2255813236 QYVCZZDEHXRHQZ-ZDUSSCGKSA-N 455.361 2.377 30 10 JEEE CC(C)(C)OC(=O)NC1(CNS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)c(F)c2)CC1 2267708004 BSLHNYNTDITUCS-UHFFFAOYSA-N 470.372 2.461 30 10 JEEE CC1(C)OB(c2cccc(CS(=O)(=O)N(CCC(N)=O)Cc3ccccc3)c2)OC1(C)C 2267709614 FHRBIPWNWQDUPU-UHFFFAOYSA-N 458.389 2.193 30 10 JEEE CN(C1CN(C(=O)OC(C)(C)C)C1)S(=O)(=O)c1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2267710487 WNZNFOFDPHVZNZ-UHFFFAOYSA-N 470.372 2.365 30 10 JEEE C[C@H](NC(=O)c1cc(=NC(=O)OC(C)(C)C)[nH][nH]1)c1nscc1B1OC(C)(C)C(C)(C)O1 2268631844 DCNDUSNSJKNTAY-NSHDSACASA-N 463.369 2.425 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H](C(=O)NCc2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2268662978 GLOJTTURCQJLKC-ZBFHGGJFSA-N 466.409 2.281 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H](CO)NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(F)cc1Cl 2270431935 MPPWJSCHPXBNNT-LBPRGKRZSA-N 472.750 2.394 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@H]2CCN(C(=O)c3nscc3B3OC(C)(C)C(C)(C)O3)C[C@H]21 2281799651 YJQBDUXQNCEABT-HZPDHXFCSA-N 479.408 2.293 30 10 JEEE C[C@H](CNC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 2281805762 CRHSWCOTPOLDIM-PEBXRYMYSA-N 481.424 2.180 30 10 JEEE CC(C)(C)OC(=O)N1[C@H](CNC(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)C[C@@H]2COC[C@@H]21 2281825421 SEEAIIOONMMKII-PVAVHDDUSA-N 462.352 2.333 30 10 JEEE CC[C@@]1(NC(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)CCCN(C(=O)OC(C)(C)C)C1 2281954371 ATUPZXGKKPGKKS-JOCHJYFZSA-N 463.388 2.024 30 10 JEEE Cn1cc(C(=O)N2C[C@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]3C2)c(B2OC(C)(C)C(C)(C)O2)n1 2281961110 ITQMIEUIHVYBBS-HZPDHXFCSA-N 460.384 2.048 30 10 JEEE CC[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 2281978138 YMYPPUOSGRKGSM-JKSUJKDBSA-N 462.400 2.485 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H](O)C[C@@H]2CNC(=O)OC(C)(C)C)c1 2282091153 DVCXNFVCVNNNHS-IAGOWNOFSA-N 460.380 2.394 30 10 JEEE CC(C)(C)OC(=O)N[C@@]1(C(=O)O)CCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2282190613 RLFRIFURXOJIRQ-QHCPKHFHSA-N 460.336 2.180 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCCO[C@@H]2[C@@H]1NC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2282525911 NRTRTIANPICADW-JFOHDYCDSA-N 479.408 2.243 30 10 JEEE Cc1nn(C)c(C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)c1B1OC(C)(C)C(C)(C)O1 2282565422 JOPXLGKBETXHEI-VQTJNVASSA-N 450.392 2.374 30 10 JEEE Cn1ncc(C(=O)N2C[C@@H]3CC[C@H](NC(=O)OC(C)(C)C)[C@H]3C2)c1B1OC(C)(C)C(C)(C)O1 2282568518 DEQUNXFLHHWTOO-XIRDDKMYSA-N 460.384 2.095 30 10 JEEE Cc1c(C(=O)N[C@@]2(CF)CCN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282594503 GOAHFKDDQSJTTJ-JOCHJYFZSA-N 466.363 2.107 30 10 JEEE CC(C)[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2282614711 UGWRLMFYNPXQTL-KRWDZBQOSA-N 462.400 2.437 30 10 JEEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1N(C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2282621466 RZCJRPXYJKFCLR-WBVHZDCISA-N 462.400 2.437 30 10 JEEE C[C@H]1CCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C[C@@H]1NC(=O)C(F)(F)F 2282861323 MNTWNNXNVDVCJN-BBRMVZONSA-N 476.326 2.063 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](O)CN1c1ccc([N+](=O)[O-])c(B2OC(C)(C)C(C)(C)O2)c1 2282940204 NGLGHWZFHLIYCS-JKSUJKDBSA-N 463.340 2.358 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CCc2sc(B3OC(C)(C)C(C)(C)O3)cc2C1 2283959583 NVRMSFQFAYPNFR-CVEARBPZSA-N 478.420 2.302 30 10 JEEE Cn1nc(CNC(=O)OC(C)(C)C)cc1C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2283965533 XLFHCSLLVIBFGJ-UHFFFAOYSA-N 457.340 2.391 30 10 JEEE C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C1 2283980988 HESTWBHJOYWHOY-HNAYVOBHSA-N 460.380 2.145 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1COC[C@H]1C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2285186936 WUQYFJFSOUVGFZ-AEFFLSMTSA-N 464.343 2.281 30 10 JEEE CCCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CCC(NC(=O)C(F)(F)F)CC1 2286116069 PACNOUYWULRFCS-UHFFFAOYSA-N 457.302 2.480 30 10 JEEE CN(C[C@@]1(O)CCCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1)C(=O)OC(C)(C)C 2286312581 KGTAPRQJCHRJSO-QHCPKHFHSA-N 463.384 2.148 30 10 JEEE CN(C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CN(C(=O)OC(C)(C)C)CC12CC2 2287008502 GZEBEHCKCAWMNZ-MRXNPFEDSA-N 458.368 2.247 30 10 JEEE Cc1cnc(NCCn2cc(CNC(=O)OC(C)(C)C)nn2)c(B2OC(C)(C)C(C)(C)O2)c1 2287101030 KVOWNWNESRTCOP-UHFFFAOYSA-N 458.372 2.418 30 10 JEEE CC1(C)OB(c2cscc2S(=O)(=O)N[C@@H](CCO)COCc2ccccc2)OC1(C)C 2320504571 XQCQAOZLRFZUPW-KRWDZBQOSA-N 467.418 2.293 30 10 JEEE Cc1ccc(C=NNc2nc3c(c(O)nc(=O)n3C)n2C[C@@H](O)COc2ccc(C)cc2)cc1 2327754178 SLZBLIHINBGSOV-GOSISDBHSA-N 462.510 2.338 30 10 JEEE CCOc1ccc(C=Nn2c(CNC(C)=O)nnc2SCC(=O)OCC(C)C)cc1OC 2330785579 LNPCINATXGYFJF-UHFFFAOYSA-N 463.560 2.495 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@]12CCC[C@H]1N(C(=O)OC(C)(C)C)CC2 2362344495 SDQVDWPMHZFWQK-CMJOXMDJSA-N 460.384 2.381 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@]23CC[C@@H]2CN(C(=O)OC(C)(C)C)C3)n1C 2362483078 LWEMCLYYCDDABK-CMJOXMDJSA-N 460.384 2.157 30 10 JEEE N#C[C@@H]1C(=O)Nc2nc(N3CCC(C(N)=O)CC3)[nH]c(=O)c2[C@@H]1c1cccc(Oc2ccccc2)c1 72443816 PLVXLDRQJDUECP-VQTJNVASSA-N 484.516 2.488 30 10 JEEE CCOCCn1c(=C(C#N)C(=O)Nc2ccccc2C)sc(=Cc2cnn3ccccc23)c1=O 729668976 GZCRIUSMXAICCD-UHFFFAOYSA-N 473.558 2.044 30 10 JEEE C#CCN(C(=O)CCn1cnc2scc(-c3ccc(C)cc3)c2c1=O)[C@@H]1CCS(=O)(=O)C1 918756778 ZCLXFXQMROLANB-GOSISDBHSA-N 469.588 2.472 30 10 JEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)c1 1125418417 GEBKMLKXQKHJIH-UHFFFAOYSA-N 454.458 2.287 30 10 JEEE C=CCN1CC[C@H](N(C)CC(=O)Nc2sc(C(=O)OCC)c(C)c2C(=O)OCC)C1=O 1169780460 LBEFWCXTNMPJTH-AWEZNQCLSA-N 451.545 2.067 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@]1(N(C)C)CCSC1 1286279814 QDSMWQRHLWPZDB-HTAPYJJXSA-N 476.672 2.091 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1CCCc1c[nH]nc1C)[C@H]1CCS(=O)(=O)C1 1286381232 FRRJNZALFWFAGF-FQEVSTJZSA-N 498.609 2.253 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1CCN1CCCC[C@@H]1CC)[C@@H]1CCS(=O)(=O)C1 1286386844 ILTIIPBLFIUCQJ-LEWJYISDSA-N 456.616 2.231 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@H](C)Oc1ccccc1C)[C@@H]1CCS(=O)(=O)C1 1286389804 RDIIZOLODROURX-AZUAARDMSA-N 468.583 2.081 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(OC)ccc2Br)n1C[C@]1(O)CCO[C@@H]1C 1286459440 DLMFAZLVLWYIMY-QVKFZJNVSA-N 479.375 2.342 30 10 JEEE C#CCN1CCN(c2nnc(-c3cn(C)c4ccccc34)n2CCCCCS(C)(=O)=O)CC1 1286476892 IQCBABFNORQVNW-UHFFFAOYSA-N 468.627 2.407 30 10 JEEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2Cc2ccc(NC(C)=O)nc2)CC1 1286484913 QIHXYIUJMRKNRK-UHFFFAOYSA-N 459.554 2.322 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC(F)(F)C1 1286522588 LSYHYCNWGDXVOD-TXPKVOOTSA-N 457.547 2.039 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc(F)c2F)CC1 1286607901 LODVIEZOUJVJFO-QGZVFWFLSA-N 481.569 2.378 30 10 JEEE C=CCN(CC=C)c1nnc(C(=O)N2CCCC2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1286751602 JIXQTZHZBXNXPJ-KRWDZBQOSA-N 456.513 2.346 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1CCS(=O)(=O)CC1 1286762328 FCZAPOLANXTOOV-NRFANRHFSA-N 492.667 2.240 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCCn1cccn1 1287052546 AGMYPFZMSQZFHJ-MSOLQXFVSA-N 456.551 2.366 30 10 JEEE CC(C)(O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC2CCOCC2)CC1 1287098002 BDLGTRDATCPPCD-UHFFFAOYSA-N 468.602 2.438 30 10 JEEE CC[C@@H]1CCCCN1CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](CNC(C)=O)C1 1293364358 FKFUPKJRPUUSDX-DHIUTWEWSA-N 465.602 2.423 30 10 JEEE CN1CC[C@@](O)(Cn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CCC(C#N)CC2)C1 1298881570 HPRWLYWQLIHNPF-DVECYGJZSA-N 473.622 2.199 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCNC(=O)OC(C)(C)C 1300282841 JOSMWNBDPSWZMI-INIZCTEOSA-N 476.603 2.178 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2c(F)cc(F)c(F)c2F)CC1 1300685936 VLKPYFGVVZZEJN-JOCHJYFZSA-N 467.467 2.290 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@](C)(O)CCC(C)C)CC1 1300688211 CKKYBWBLRMBRTF-DEOSSOPVSA-N 473.643 2.291 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC2(COC)CCC2)CC1 1300716193 KECQYWDXIBLSLE-RUZDIDTESA-N 473.618 2.101 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Cl)c3)n2CCN2CCOC[C@@H]2C)CC1 1300716828 RYHDCZDYHGIAGG-SFHVURJKSA-N 471.005 2.285 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CCCN2CCN(c3ccccc3)CC2)CC1 1300727163 WSTCYDDJJGJMAY-UHFFFAOYSA-N 463.630 2.019 30 10 JEEE C#CCSCCn1c(-c2ccccc2OC)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1300754182 LEJQODDFVUZMCD-HXUWFJFHSA-N 482.654 2.453 30 10 JEEE C=C(C)COCCn1c(COc2cc(C)ccc2C)nnc1N1CCN(S(C)(=O)=O)CC1 1300999532 DOQVDCBOQVPIFJ-UHFFFAOYSA-N 463.604 2.148 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C 1301371488 DCAGDLMLIZICCI-SJORKVTESA-N 468.624 2.466 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1301492909 RFMOYAHCFUQHCZ-GOEBONIOSA-N 494.390 2.259 30 10 JEEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCN(Cc2cc(C)on2)CC1 1301509661 KGYSZQAUWFPTSI-UHFFFAOYSA-N 465.558 2.086 30 10 JEEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 1301609503 KLGYMYFSAGFFPI-PMACEKPBSA-N 456.616 2.004 30 10 JEEE CC(C)CN(C(=O)CN1CCC[C@@H](CC#N)C1)c1c(O)nc(=O)n(Cc2ccccc2)c1N 1307922929 DONGFRXYERUTMB-IBGZPJMESA-N 452.559 2.194 30 10 JEEE C=CCOc1ccccc1CNC(=O)N1CCN(C(=O)OC(C)(C)C)[C@H]2CS(=O)(=O)C[C@H]21 1312000804 PNSUKPFDGORXSD-MSOLQXFVSA-N 465.572 2.179 30 10 JEEE N#Cc1ccc(-c2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2CCCN2CCOC2=O)cc1 1316529170 BKRAGMGTOSDERW-MRXNPFEDSA-N 450.421 2.427 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1OCC(C)C 1358890747 VCOMEUUNFTYGTD-WIYYLYMNSA-N 475.615 2.152 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@@H](OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1358966496 QCJPSSFUWOVJRC-PZJWPPBQSA-N 458.584 2.217 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCOc1ncccc1F 1359021207 GLXWNGDJCHLOIU-UHFFFAOYSA-N 453.474 2.415 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(F)cc2Br)n1CC(=O)NC(C)C 1359021398 NKVVBHASGHTKCP-UHFFFAOYSA-N 452.328 2.457 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CC(=O)NCC2CC2)CC1 1359040986 LDWNCAYUCPADNL-QFIPXVFZSA-N 462.598 2.312 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1359090070 UKRVPYACLFUGNB-AABGKKOBSA-N 458.607 2.140 30 10 JEEE C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1359117343 VTBXCNNEOLXWLU-IBGZPJMESA-N 466.590 2.025 30 10 JEEE C=C(C)COCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1359128576 YLWQOTFSQIGKGL-KRWDZBQOSA-N 479.603 2.025 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 1359297686 YRAJQKRCQOPBKF-GOSISDBHSA-N 460.542 2.201 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@](O)(c2ccccc2)C(F)(F)F)C1 1359320487 RASFBKATQUYGIY-LLGFUMIMSA-N 465.476 2.461 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](c2ccsc2)N(C)C)C1 1359322234 RZKQYYRDZLPZIO-GUDVDZBRSA-N 465.645 2.326 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1359334500 IGNWJPNNLRQUHS-MOPGFXCFSA-N 472.615 2.248 30 10 JEEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 1359342181 QWHXHUADHSIHGN-HZPDHXFCSA-N 450.609 2.499 30 10 JEEE C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CC1(N(C)C)CCOCC1 1359481175 HOBVVTSXMUALFN-QZTJIDSGSA-N 474.631 2.185 30 10 JEEE C#CCN(C)CCCNC(=O)[C@H](Cc1cccc(Br)c1)[C@@H]1CCS(=O)(=O)C1 1450484879 IOSQRJALRCIGSN-IEBWSBKVSA-N 455.418 2.114 30 10 JEEE C=CCOc1ccc(CNC(=O)Nc2cc(C(N)=O)ccc2CN2C(=O)CN(C)C2=O)cc1 1476289223 KTTDQWMTHDOHKB-UHFFFAOYSA-N 451.483 2.066 30 10 JEEE Cc1nnc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)s1 1492771174 BLAWYCZPJLVNAC-KRWDZBQOSA-N 486.627 2.133 30 10 JEEE CN(CCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(c2ccccc2C#N)CC1)CC(F)(F)F 1503611338 HYYLRWYGUTXBPS-GOSISDBHSA-N 490.534 2.312 30 10 JEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 1507588528 MMULNBKDWFBRLX-SJORKVTESA-N 491.017 2.497 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCC1(OC)CCC1)[C@H]1CCS(=O)(=O)C1 1507628189 GXFKKMAAGMKYSF-FQEVSTJZSA-N 453.568 2.403 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H](CC(C)C)N(C)C)[C@H]1CCS(=O)(=O)C1 1507628362 WJGAXBPJBVRUGY-LEWJYISDSA-N 488.614 2.456 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1csc([C@@H](C)OC)n1)[C@@H]1CCS(=O)(=O)C1 1507631223 CDGZKCWIBMTVEQ-JFIYKMOQSA-N 479.628 2.011 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(C)CCOCC1 1507699097 BLHQYBKGLQYYHY-KRWDZBQOSA-N 463.579 2.484 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@@H]1CCOc2ccccc21 1507711849 ZZDHTCSRBXBAJZ-MOPGFXCFSA-N 458.584 2.223 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCCc2nc(C)no2)CC1 1507731404 HKSYDVVPFCACAX-FQEVSTJZSA-N 498.632 2.472 30 10 JEEE C#CCN1CCN(c2nnc(CSc3ccccc3OC)n2CCNC(=O)C(C)(C)C)CC1 1507732527 HOKWBLKKJYAJLX-UHFFFAOYSA-N 470.643 2.497 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCCO[C@@H](C)C2)CC1 1507734173 HTMRRLGKGRHGHX-NRFANRHFSA-N 489.624 2.283 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3CC)n2CCc2ccn(C)n2)CC1 1507741525 WESYRIUZJKABIO-UHFFFAOYSA-N 475.597 2.362 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCS(C)(=O)=O 1507772690 TVDCSEDNZAPEIQ-VWKPWSFCSA-N 451.593 2.086 30 10 JEEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C(F)(F)F)C1 1507867992 CNVJJQPPFUOAGD-CHWSQXEVSA-N 457.906 2.142 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCn1cc(Br)cn1 1538976330 KORJTLXSIPRYAR-BEFAXECRSA-N 451.369 2.436 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1539037702 IGJRTALBTYAUKE-SWUCNREESA-N 453.587 2.361 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1CCCCN1CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1539210600 FHEYMCQOXSQRPL-RTWAWAEBSA-N 470.643 2.479 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@](C)(OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1539210897 FFLRTCMQJYRINZ-OFNKIYASSA-N 453.568 2.259 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1CC(C)(C)OCC)[C@H]1CCS(=O)(=O)C1 1539211870 LIZHLFDQJKTJAB-SFHVURJKSA-N 476.599 2.404 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCc1ccc(NC(C)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1539220036 HDEQMQYOPMHENU-FGZHOGPDSA-N 485.610 2.348 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1Cc1ccc(C)nc1)[C@H]1CCS(=O)(=O)C1 1539225889 RXPAXJBRPHTIDQ-NRFANRHFSA-N 465.579 2.256 30 10 JEEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(O)(C(F)(F)F)CC1 1539504570 KGCJJQWYJGKRCA-UHFFFAOYSA-N 478.504 2.181 30 10 JEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 1539512614 DHLUHDHGEVTIOB-QGZVFWFLSA-N 488.017 2.499 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(C)cc1N1CCOCC1 1539538447 IHSXJKVGFXHXHL-NTKDMRAZSA-N 486.642 2.074 30 10 JEEE C#CCNC(=O)C1CCN(C(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)CC1 1539702518 HIDUOJIKYZIHQU-UHFFFAOYSA-N 451.548 2.040 30 10 JEEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1539721822 IDUAQPNAUUHGGK-FKEBYFGASA-N 474.650 2.205 30 10 JEEE C=C(Cl)Cn1c(N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)nnc1[C@@]1(OCC)CCOC1 1539823619 GDRONRKBGMKROC-IIBYNOLFSA-N 471.986 2.413 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1540865640 NABFHDVKYJGTNM-UHFFFAOYSA-N 461.570 2.348 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(OC(C)C)CC1 1540871135 FFGAJAHKFJSGPR-LJQANCHMSA-N 492.621 2.283 30 10 JEEE CC(C)(C)S(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@](F)(C#N)C1 1541232319 GSFUVRCJZHZDIQ-UWJYYQICSA-N 463.535 2.446 30 10 JEEE N#Cc1ccc(N2CCC3(CC2)CN(C(=O)CN2CCCC2=O)C[C@@H]3CO)cc1C(F)(F)F 1548406736 UFEXIACGMCDCNB-QGZVFWFLSA-N 464.488 2.237 30 10 JEEE Cc1nnc([C@H]2Cc3ccccc3CN2C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)o1 1586490947 FNANXBCXGIBBCP-JLTOFOAXSA-N 451.508 2.243 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1nnc(CC)s1 1587579832 KLTPSSBBHOZLMF-CQSZACIVSA-N 459.601 2.116 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC(C)(C)N2CCOCC2)CC1 1588871626 KISHGKHHVBAVOW-UHFFFAOYSA-N 473.021 2.377 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2C[C@](C)(O)[C@@H](C)CC)CC1 1588907670 DBWSZSSCVMYYNY-GKVSMKOHSA-N 467.570 2.437 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCCN2CCOCC2)CC1 1588947308 NCLKETOYKMRMHU-UHFFFAOYSA-N 485.032 2.210 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCN/C(O)=C1/N=CC=CC1=O 1589171631 MPWIUNWTIDDHIA-QFHABUONSA-N 461.482 2.372 30 10 JEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)Nc2ccc(C)cn2)CC1 1593741322 MRKNIEVYRWWIAJ-LJQANCHMSA-N 467.574 2.380 30 10 JEEE C=C(C)COCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@H](C(=O)OC)C1 1593746777 NBCBFMUVWZQLNW-IBGZPJMESA-N 455.563 2.044 30 10 JEEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 1594625556 GVUWTVYVEXZHGI-YADHBBJMSA-N 473.643 2.392 30 10 JEEE C=CCCCn1c([C@H]2CCOC2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1594733882 ZQVFVXDIOCITPY-INIZCTEOSA-N 452.606 2.024 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H]1c1nncn1C 1595475694 DTKGXUMCTVCYGO-NVXWUHKLSA-N 454.510 2.329 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCC(N2CCNC2=O)CC1 1595475827 GPPXLODWJUWEDO-FQEVSTJZSA-N 451.575 2.116 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCCN(c2nc(C)ns2)CC1 1595593434 DKKLCCUOBQWPLO-UHFFFAOYSA-N 486.577 2.175 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C3CCCC3)n2CCS(=O)(=O)N2CCSCC2)C1 1595723108 RIQBBXXLPOWSLC-GOSISDBHSA-N 455.650 2.096 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@H](C)[C@@H](OC)C1 1595777017 HHHMHPVLLVDKFO-JXFKEZNVSA-N 464.588 2.424 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCN([C@H](C)c2cccc(OC)c2)CC1 1595789131 NKHQWMFVRFJFSC-LJQANCHMSA-N 497.625 2.228 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@@H]1CCOC1 1595798558 QMAPFONEOBUMGZ-QZTJIDSGSA-N 483.635 2.219 30 10 JEEE COc1ccc(C(=O)N[C@@H]2CO[C@H]3[C@H]2OC[C@H]3Nc2nccc(-c3cccc(C#N)c3)n2)cc1 1616132185 KUWWLLKHXXGTOQ-BXXSPATCSA-N 457.490 2.401 30 10 JEEE CCS(=O)(=O)N[C@@H](CCSC)C(=O)N1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 1634564657 FWMSKFQCQZSKSL-ROUUACIJSA-N 459.037 2.110 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H](c1cccc(F)c1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1689986785 XARHZYDCSWSDCE-TZIWHRDSSA-N 470.574 2.342 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@](C)(O)c1ccc(F)cc1 1690092512 LJFVLHAUJPFWCT-HSZRJFAPSA-N 452.490 2.058 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN1C1CCCCC1 1690103275 BIZGYVMHSAMYDS-FPOVZHCZSA-N 463.648 2.063 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2CCCOC[C@@H]2CCOC2)CC1 1690113732 SIACTTHHVHJIJY-SFHVURJKSA-N 491.434 2.245 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(N2CCCCC2=O)CC1 1690236059 HYCLEGRLSQQSTI-GHTZIAJQSA-N 458.607 2.379 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1690237892 BUBHGOOCYDJHTO-QCFAMHMHSA-N 460.579 2.295 30 10 JEEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2c(F)cc(F)cc2C1 1690345672 AJPXSULSWDMWJW-QGZVFWFLSA-N 473.933 2.204 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@](C)(O)c2cccc(Cl)c2)C1 1690686198 KPAGNRSRWMTBOP-RRMPHLOHSA-N 484.022 2.231 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2CCCS(C)(=O)=O)C1 1690688289 RYYAGAQGPLYKLP-HNNXBMFYSA-N 472.409 2.262 30 10 JEEE CCCC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(c3cc(C#N)ccn3)CC2)CCC1 1695123564 DACNDOZZFNCROL-GOSISDBHSA-N 486.646 2.452 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CCN(c4ncccn4)CC3)n2CCOC)c1 1705506815 JGHKCHNAAPRPFK-UHFFFAOYSA-N 474.569 2.155 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1Cc1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1705562763 JXHPESZRXHJFBX-INIZCTEOSA-N 460.947 2.273 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1CCCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1705563007 OUUIYKBFBDPTHN-IBGZPJMESA-N 487.626 2.075 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc3cccnc23)n1CCN/C(O)=C1\N=CC=CC1=O 1705594156 RVCJHWKOWDZXEZ-WJTDDFOZSA-N 465.517 2.483 30 10 JEEE C#CCN(CCOC)c1nnc([C@]2(OCC)CCOC2)n1Cc1cc(Cl)c2c(c1)OCCO2 1705622866 XPJJHUSZVWCHAE-QHCPKHFHSA-N 476.961 2.489 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2c(C)coc2C)CC1 1705645060 KHAILNTVZHDENO-DEOSSOPVSA-N 455.559 2.154 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2Cc2cnn(CCOC)c2)CC1 1705646881 RMRSFQHTZCMZIH-UHFFFAOYSA-N 481.988 2.456 30 10 JEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC2(CC1)C(F)(F)C21CC1 1705651811 IHYKCXWAFZWJIM-AWEZNQCLSA-N 459.588 2.270 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccnc2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1705703935 PPZXQEWIVASMTM-WOJBJXKFSA-N 460.604 2.087 30 10 JEEE C=C(C)COCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1705733133 JKRXGJAUKAXVOB-IBGZPJMESA-N 484.557 2.028 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccnc3)n2Cc2cccc(S(=O)(=O)NC)c2)C1 1705919217 ZHQNOMZATFGPFZ-IBGZPJMESA-N 454.556 2.078 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OCC)CCOC3)n2CC2CCOCC2)c1 1722304721 DHMOQYFVZWVSCC-VWLOTQADSA-N 467.570 2.413 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H](C)CNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1722359793 BCFRPDPRUGPHAX-ROUUACIJSA-N 488.614 2.128 30 10 JEEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1CC1(S(C)(=O)=O)CC1)[C@H]1CCS(=O)(=O)C1 1722364158 JPQZCJJLHYGWJS-VQTJNVASSA-N 490.651 2.024 30 10 JEEE C#CCN(c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H](CCC)OC)[C@H]1CCS(=O)(=O)C1 1722368932 UNXPABRBDNMJPD-IRXDYDNUSA-N 484.582 2.036 30 10 JEEE C#CCN(c1nnc(COc2ccccc2OC)n1Cc1ncccc1C)[C@@H]1CCS(=O)(=O)C1 1722370351 NLSRGGKIZBJLDQ-LJQANCHMSA-N 481.578 2.244 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1nccn1C(F)F)[C@@H]1CCS(=O)(=O)C1 1722371164 ULNDSLYMWWDKTE-JFIYKMOQSA-N 496.584 2.463 30 10 JEEE C#CCN1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2C[C@H](CC(C)C)N(C)C)CC1 1722438628 VPFJNPPZOSDKCM-NRFANRHFSA-N 490.656 2.406 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCC(=O)Nc2ccccc2)CC1 1722441632 TZIGSCHRRPWYNT-UHFFFAOYSA-N 477.594 2.054 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCN2CCCC2)CC1 1722443047 APMYAANPEQAGDM-UHFFFAOYSA-N 465.558 2.305 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(OCCC)nc2)CC1 1722446901 BCJZINPLKXJMFY-OAQYLSRUSA-N 466.586 2.370 30 10 JEEE C#CCSCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1722450579 ABKPVHMFZKJQBN-DLBZAZTESA-N 481.619 2.394 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1722509775 YIMBPZRGIGUDNZ-VYDXJSESSA-N 474.503 2.233 30 10 JEEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(c2cnn(C)c2)CC1 1722530450 FNPIUEPDXXZXNZ-UHFFFAOYSA-N 485.614 2.001 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1722536984 JTEBXMOYAYFNCZ-RTBURBONSA-N 465.595 2.495 30 10 JEEE C=C(Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1)c1ccccc1 1722540093 AVIITPNMQGGEBW-SFHVURJKSA-N 455.588 2.158 30 10 JEEE C=C(Cl)Cn1c([C@H](C)OCCOC)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1722542730 GRMRDRXHOMQXDC-SFHVURJKSA-N 452.003 2.427 30 10 JEEE C=CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](S(C)(=O)=O)C1)c1ccccc1 1722593903 CGBODXJWSPDSKQ-DFQSSKMNSA-N 495.671 2.262 30 10 JEEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)[C@H](CC)C1 1722682703 CUFVPJHJQIFFDI-XHSDSOJGSA-N 456.613 2.204 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1722736574 BDCNFASPNFTVAK-QZTJIDSGSA-N 483.635 2.424 30 10 JEEE COCCN1C[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2C[C@H](C)O[C@H](C(F)(F)F)C2)CC1=O 1730780329 CEBVIIXGCFHYAX-WDYCEAGBSA-N 492.502 2.468 30 10 JEEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1740598606 WWWDYLUCRPMELZ-UNMCSNQZSA-N 455.607 2.088 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1ccccc1OCC)[C@H]1CCS(=O)(=O)C1 1740624994 NFIUXPVURGGBOE-NRFANRHFSA-N 482.610 2.213 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@](C)(OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1740626974 DINKGDOJNSPPIE-RDPSFJRHSA-N 483.594 2.171 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1740778640 OQTXGPYNUJVTIP-UHFFFAOYSA-N 474.631 2.466 30 10 JEEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1740952885 QAWWZTLTPYVLKF-VQTJNVASSA-N 451.575 2.163 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)[C@H]1CC[C@H](SCC)C1 1740956498 MIVVCSSFNRKOAL-OALUTQOASA-N 467.603 2.333 30 10 JEEE C#CCCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1748753488 KOOQWGXKMZWYDF-UHFFFAOYSA-N 458.513 2.135 30 10 JEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@H](C)Cc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1748802946 UKHGMLJSIUPCBS-TZIWHRDSSA-N 499.637 2.028 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@](C)(O)CCC)[C@@H]1CCS(=O)(=O)C1 1748808886 HXJRPPWDUQCFEW-JPYJTQIMSA-N 476.599 2.140 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1CC(=O)Nc1c(C)cccc1C)[C@H]1CCS(=O)(=O)C1 1748812626 YHKSSYVDIFCKAG-IBGZPJMESA-N 478.578 2.222 30 10 JEEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(SCC)c1)[C@@H]1CCS(=O)(=O)C1 1748815568 RIJNVPKLMGPTTR-IEBWSBKVSA-N 473.624 2.016 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@@H](C(C)C)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1748819011 ILOXNVLDJOMEFY-SFTDATJTSA-N 490.699 2.381 30 10 JEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1cccc(C(=O)NCC)c1 1748846237 FILQHPRKKDVYNP-UHFFFAOYSA-N 482.592 2.323 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(I)cc1 1748887545 CRGZOWXMEHVLNB-QGZVFWFLSA-N 473.318 2.345 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@]1(C)OCCc2sccc21 1748892446 OYWZRTCUISUHDT-HTAPYJJXSA-N 458.609 2.193 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2Cc2ccc(OC)nc2OC)CC1 1749006118 IRQAPJFTWHGQSB-UHFFFAOYSA-N 464.526 2.273 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2CC[S@](=O)C(C)(C)C)CC1 1749017043 UFRSJDJZVGDRSJ-UMSFTDKQSA-N 485.654 2.391 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2CC[C@H]2CCOC2)CC1 1749019336 SIDBPGRHSINFMU-SFHVURJKSA-N 455.534 2.389 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N(CCO)CCOCC(F)(F)F 1749102159 JWPFTWJIKYOADL-CYBMUJFWSA-N 457.291 2.458 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc([C@H](C)O)cc1 1749157977 BQNZFTDMWXEVBB-FXAWDEMLSA-N 463.604 2.115 30 10 JEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](N2CCCCC2)C1 1749402989 UGRXRSPEJHEQIR-UXHICEINSA-N 466.652 2.032 30 10 JEEE C=CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(OCC(N)=O)CC1 1749431283 ZRSJGNDJCWCNKZ-GOSISDBHSA-N 478.594 2.023 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@@H](C(=O)NC)C1 1749651471 VWVYKUIANHWZAG-JKSUJKDBSA-N 460.966 2.336 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(Cc2cccc(Cl)c2)CC1 1749683629 ZTCCCNOJGQBBBU-UGKGYDQZSA-N 489.020 2.280 30 10 JEEE C=CCOc1ccc(Cn2c(-c3cnn(C)c3)nnc2N2CCC(NC(=O)COC)CC2)cc1 1749684219 TZNLNVVKLSTVML-UHFFFAOYSA-N 465.558 2.023 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccnc3)n2CCNS(=O)(=O)c2ccccc2)C1 1749707926 XFPISVMQGZKXEV-LJQANCHMSA-N 454.556 2.100 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1CCc2ccc(O)cc2C1 1749721193 CAYDJPJZBHNVLI-UHFFFAOYSA-N 461.588 2.066 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1C[C@H](C)O[C@@H](COC)C1 1749729559 NEQVDHFSCDSJAS-JKSUJKDBSA-N 454.980 2.439 30 10 JEEE CC(C)(O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCCN(c2ccccc2C#N)CC1 1750532899 DOQNGFZVPNYARE-UHFFFAOYSA-N 460.542 2.285 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CC1(C(=O)N(C)C)CCCC1)[C@H]1CCS(=O)(=O)C1 1760184005 SKDJVWSTADVTSO-NRFANRHFSA-N 494.621 2.092 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1CC[C@@H](OCC)C1CCCC1)[C@H]1CCS(=O)(=O)C1 1760188639 LFUAERODNRARMK-PZJWPPBQSA-N 472.615 2.347 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@H](C1CC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1760191084 AGOQLGWIUQZKOO-IFMALSPDSA-N 471.627 2.132 30 10 JEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1CCc1ccncc1)[C@H]1CCS(=O)(=O)C1 1760192859 YUWVSHIFTOHFGX-QFIPXVFZSA-N 479.606 2.336 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H](c2ccsc2)N(C)C)CC1 1760255315 HEHZQDPIZVUETK-JOCHJYFZSA-N 498.678 2.468 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCN2CCOC[C@H]2C)CC1 1760266940 BRZZJKFWPYCTQQ-QGZVFWFLSA-N 488.995 2.424 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H]2CCCN(C(C)C)C2)CC1 1760269436 ILDKPUFSKGOFPH-UNMCSNQZSA-N 456.635 2.258 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(N2CCCC2)nc1 1760336889 KSQQXRQKSPGWIG-HXUWFJFHSA-N 489.646 2.057 30 10 JEEE C=C(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2cnn(CC)c2)C1)c1ccccc1 1760362316 HDPFUPLPQWEYRH-NQIIRXRSSA-N 485.614 2.396 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1760406733 KLRWCESPCUHHSZ-QGZVFWFLSA-N 490.630 2.159 30 10 JEEE C=CCCOCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCS(=O)(=O)CC1 1760449987 BALFJGRZJCYZCL-SFHVURJKSA-N 483.635 2.220 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCc2ccccc21 1760505250 PHYVWYWEFXHRKD-IRLDBZIGSA-N 489.642 2.370 30 10 JEEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(Cc2cc(C)no2)CC1 1760524534 ABVAUYWYNSVDNV-UHFFFAOYSA-N 471.512 2.068 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1760556783 PWHCVHFULVSCOZ-XXBNENTESA-N 460.600 2.162 30 10 JEEE CC(C)Cc1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CCCn1cc(CO)nn1 1761031017 DBWMIIQNQXEBAC-UHFFFAOYSA-N 463.590 2.239 30 10 JEEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1768633154 CXOPOSRBQZZZRQ-ZWKOTPCHSA-N 477.491 2.000 30 10 JEEE Cn1cc(C(=O)N2CCN(Cc3ccc(C(=O)Nc4ccccc4C#N)cc3)CC2)ccc1=O 1860904600 WYHKIUKHPCFTKF-UHFFFAOYSA-N 455.518 2.467 30 10 JEEE Cc1ccc([C@H](C#N)NC(=O)[C@H](C)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1 1867782102 OUOCGERSIUHJQB-LPHOPBHVSA-N 451.483 2.239 30 10 JEEE CN(C)C1CCN(C(=O)[C@@H](Cc2c[nH]c3ccccc23)N=C2NS(=O)(=O)c3ccccc32)CC1 1869928410 WRIXRPLDJRRQRA-JOCHJYFZSA-N 479.606 2.370 30 10 JEEE C=CCn1cc(OCC(=O)NCCN(CC)CC)c(=O)cc1CN1CCN(Cc2ccccc2)CC1 1870535551 ZPFLYRRYWDAQTR-UHFFFAOYSA-N 495.668 2.189 30 10 JEEE C=CCn1cc(OCC(=O)Nc2nccs2)c(=O)cc1CNc1ccc2c(c1)C(=O)N(C)C2=O 1870937277 VYZKRTDRVXQBRT-UHFFFAOYSA-N 479.518 2.346 30 10 JEEE C=CCn1c(C(=O)N2CCN(c3ccccc3F)CC2)cc2c(N3CCN(C)CC3)ncnc21 1873560919 BSCNYZBOLIHYAQ-UHFFFAOYSA-N 463.561 2.471 30 10 JEEE COc1cc(/C=N/n2c(SCCO)nnc2C2CCC2)ccc1OCCN1CCOCC1 1874498802 QZQDQNAWNJBXTJ-XQNSMLJCSA-N 461.588 2.232 30 10 JEEE COCc1nnc(SCC(N)=O)n1/N=C/c1cc(Br)cc(Br)c1O 1874499237 LOAXMMFUVXVVAK-HAVNEIBRSA-N 479.154 2.115 30 10 JEEE CC(C)N1C(=O)CS[C@H](C(=O)N2CCN(c3cccnn3)CC2)[C@@H]1c1ccc(C#N)cc1 1889488718 XHHCWTPLSQRESP-VXKWHMMOSA-N 450.568 2.091 30 10 JEEE Cn1ncc(C(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)c1CNC(=O)OC(C)(C)C 2206621907 HMZDEOIGNVLHMD-UHFFFAOYSA-N 457.340 2.391 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)NCC[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 2222543798 XGLDKPJKVBZHKT-OPAMFIHVSA-N 454.568 2.452 30 10 JEEE CN(C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)[C@H]1CC[C@H]1NC(=O)OCc1ccccc1 2247826658 XZTTTXCUZLESEG-MSOLQXFVSA-N 454.336 2.238 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](NS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2247985984 PEDQKKHCMHMLSS-BETUJISGSA-N 458.411 2.381 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)N(C)Cc1ccc(B2OC(C)(C)C(C)(C)O2)s1 2256625441 WVZARKOCHVBSBG-BBRMVZONSA-N 454.398 2.280 30 10 JEEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C 2256675317 FNWVIBMLXRYHPS-OAHLLOKOSA-N 454.398 2.281 30 10 JEEE CO[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2267153239 WHYQYETZMXNYBA-ZFWWWQNUSA-N 467.397 2.197 30 10 JEEE COC(=O)[C@@H](CC(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)cs1)NC(=O)OC(C)(C)C 2268608617 IGUOBWTVMKPNPC-OAHLLOKOSA-N 468.381 2.120 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2268656119 SUYRIXJLVIHCFG-RHSMWYFYSA-N 450.316 2.434 30 10 JEEE Cc1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@@H](CO)NC(=O)OC(C)(C)C 2270439765 WWKHEZULRDKRKO-AWEZNQCLSA-N 452.332 2.049 30 10 JEEE C=CCCC1(C(=O)Nc2c(I)nc(C)nc2I)CNC1 2281049398 ZOBVKVCHVNSCPE-UHFFFAOYSA-N 498.106 2.489 30 10 JEEE Cn1ncc(C(=O)N2CC[C@@H]3CN(Cc4ccccc4)C[C@H]3C2)c1B1OC(C)(C)C(C)(C)O1 2281810381 OOMOVJKXSJVHNJ-UXHICEINSA-N 450.392 2.313 30 10 JEEE CCOC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)C#CB1OC(C)(C)C(C)(C)O1 2281936458 NMNIWFICRKHNRS-IRXDYDNUSA-N 464.368 2.316 30 10 JEEE Cn1cc(C(=O)N2CC[C@H]3[C@@H](CCN3C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2281975961 UZXVAMFTXLUGIY-RDJZCZTQSA-N 460.384 2.191 30 10 JEEE C[C@H]1C[C@@H](CNC(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)CN(C(=O)OC(C)(C)C)C1 2282039599 XRTSXOVFLUMEOQ-HOTGVXAUSA-N 462.400 2.342 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2CCC[C@]2(NC(=O)OC(C)(C)C)C1 2282051475 IBBODRCTSXKAMQ-WNSKOXEYSA-N 460.384 2.239 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](O)CN(C(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2F)C1 2282399421 NPXDABAKDAFSBI-HUUCEWRRSA-N 464.343 2.225 30 10 JEEE COC1(CNC(=O)c2ccc(F)c(B3OC(C)(C)C(C)(C)O3)c2)CN(C(=O)OC(C)(C)C)C1 2282478801 JESUCEDRIKXJKC-UHFFFAOYSA-N 464.343 2.491 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]1NS(=O)(=O)c1c(F)cc(F)cc1B1OC(C)(C)C(C)(C)O1 2282504098 JSVSFOGEYRFBIN-LRDDRELGSA-N 488.362 2.456 30 10 JEEE Cc1c(C(=O)NC[C@@H]2[C@@H](C)CCN2C(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282544832 UOTFFTKKGMDWOH-GOEBONIOSA-N 462.400 2.403 30 10 JEEE Cn1cc(C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C(C)(C)C2)nc1B1OC(C)(C)C(C)(C)O1 2282552228 PEUDMEKOJCYNLK-INIZCTEOSA-N 462.400 2.485 30 10 JEEE Cc1c(C(=O)N[C@@H]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282592938 KBRHNAFWICKGPO-HRCADAONSA-N 460.384 2.013 30 10 JEEE CC(C)(C)OC(=O)NCCOCCOCCNC(=O)c1csc(B2OC(C)(C)C(C)(C)O2)c1 2282633441 YETZJFMPCJDKQU-UHFFFAOYSA-N 484.424 2.335 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2O)c1 2282683559 FHWUHZQMGSVFHX-MOPGFXCFSA-N 460.380 2.394 30 10 JEEE CN1CCN(Cc2ccccc2)[C@@H](CNS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2282866878 QCQWGPNVZYIMEH-IBGZPJMESA-N 491.488 2.142 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2283944116 JDDSEGMXTVEQNO-HIFRSBDPSA-N 465.331 2.076 30 10 JEEE Cc1nc(NC(=O)[C@@H]2CO[C@@H](C)CN2C(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2283953939 ZLFRTUNSKKIAER-BBRMVZONSA-N 462.356 2.047 30 10 JEEE CC1=C(B2OC(C)(C)C(C)(C)O2)CCN(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)C1 2283957064 VVOGJBKUKIYWOJ-KRWDZBQOSA-N 486.440 2.495 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@](CO)(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2284019117 UIVDADWQLBLPFQ-JOCHJYFZSA-N 465.331 2.078 30 10 JEEE COC(=O)c1[nH]c(C)c(C(O)=C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(C)o2)c1C 2296923835 BMCOOMNDETWFBF-NRFANRHFSA-N 485.537 2.464 30 10 JEEE Cn1cc(C(=O)N2C[C@@H](C3CCN(c4ccc(C#N)c(C(F)(F)F)c4)CC3)[C@@H](C(N)=O)C2)cn1 2297651130 ZUYLKWPLKCXMPW-OALUTQOASA-N 474.487 2.401 30 10 JEEE Cc1scc(C(=O)N(C)C[C@H](O)CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2320453356 BZNPOCPZNVBOHT-CQSZACIVSA-N 454.398 2.313 30 10 JEEE CCCNC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1N=Cc1ccc(O)c([N+](=O)[O-])c1 2329012004 MQPIYAYMQVTOLS-HNNXBMFYSA-N 489.558 2.117 30 10 JEEE COC(=O)c1ccc(CSc2nnc(CNC(C)=O)n2N=Cc2cc(OC)c(O)c(OC)c2)o1 2330752405 IBIROPZJTMMSRA-UHFFFAOYSA-N 489.510 2.191 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(C(=O)Nc3cccc(B4OC(C)(C)C(C)(C)O4)n3)CO[C@@H]1C2 2359392376 JSPBEZZSSMGNJF-WBPRFABPSA-N 459.352 2.392 30 10 JEEE CC1(C)OB(c2cc(O)c(C(=O)N[C@@H](COCc3ccccc3)C(=O)O)cc2F)OC1(C)C 2364897483 NZXPJQUMWUNDKL-SFHVURJKSA-N 459.279 2.230 30 10 JEEE C/C(O)=N/S(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCN(c3ccc(-n4ccnc4C)nn3)C2)cc1 70842757 OIQPBYIDPSYHNG-QGZVFWFLSA-N 483.554 2.491 30 10 JEEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)C1=NN(c2ccc(F)cc2)[C@H](C(N)=O)C1 913199409 CKFBDDCNGOXNRM-QRWLVFNGSA-N 481.484 2.133 30 10 JEEE CCOc1cc(C=NNc2nc(N3CCCCC3)nc(N3CCOCC3)n2)ccc1OCC(=O)OC 1081095183 DLCZEGRDTTXTIS-UHFFFAOYSA-N 499.572 2.095 30 10 JEEE COC(=O)c1ccccc1NC(=O)CSc1nnc(NN=Cc2c(C)nn(C(C)C)c2C)n1N 1084201130 NVZSZAMWHXDJDH-UHFFFAOYSA-N 485.574 2.350 30 10 JEEE C#CCn1ccc(CN(CCOC)C(=O)c2cccnc2S[C@@H](C)C(=O)N2CCCC2)n1 1128570511 NYOZWSGLOLSSJY-SFHVURJKSA-N 455.584 2.303 30 10 JEEE Cn1cc(S(=O)(=O)N2CCCCC2)cc1C(=O)N1CCN(c2ccc(F)cc2C#N)CC1 1171835106 AMUTWZMJLAANGK-UHFFFAOYSA-N 459.547 2.173 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@](O)(c1ccccc1)C(F)(F)F 1286299742 YMGULISBHNLMTO-KHYOSLBOSA-N 456.490 2.088 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@]1(O)CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1286381297 FYGABPJDUYFELN-DKZVUGQWSA-N 473.555 2.031 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H](c1cccc(OC)c1)N(C)C)[C@H]1CCS(=O)(=O)C1 1286386518 BQEKHSUGGPSTDL-GMAHTHKFSA-N 494.621 2.278 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2Cc2cccc(OCCN(C)C)c2)CC1 1286481640 IHDFFRAANNFCSD-UHFFFAOYSA-N 459.598 2.008 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2Cc2ccc(C(=O)NCC)cc2)CC1 1286489912 HUFRYOYKTAYPAU-UHFFFAOYSA-N 459.554 2.037 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2C[C@@H](COC)OC)CC1 1286490993 ZUWKVRHEXXTOMB-FQEVSTJZSA-N 478.553 2.227 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1286563883 RNZQMFZIHSCSLX-RLLQIKCJSA-N 467.636 2.361 30 10 JEEE C=C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@]2(O)CCSC2)CC1 1286640640 LYURQXHVRSZVDJ-OAQYLSRUSA-N 463.629 2.220 30 10 JEEE C=C1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCCNS(C)(=O)=O)CC1 1286651018 PDKAEYOTYXKVLZ-CALCHBBNSA-N 468.624 2.145 30 10 JEEE CC(=O)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)c2cccs2)CC1 1286863796 HPCGHQOXGWDJIS-UHFFFAOYSA-N 463.567 2.367 30 10 JEEE CC(=O)N1CCN([C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3C[C@@](C)(O)C(C)C)C[C@H]2C)CC1 1286886064 ANHTZXVAXUSODK-GVCORALISA-N 479.629 2.213 30 10 JEEE CC(=O)N1CCN(CCn2c(-c3ccc(C#N)cc3)nnc2N(C)CCCc2ccccn2)CC1 1286889335 KAYYKOOKPYYVCJ-UHFFFAOYSA-N 472.597 2.445 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCOCCN(C)C 1300534892 FLXBWEPNXJATJZ-FQEVSTJZSA-N 458.607 2.044 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@]2(C)CN(C)C2=O)CC1 1300718460 PCLFCFPZEZMQEH-QHCPKHFHSA-N 454.962 2.043 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cc(OC)cc(OC)c1 1300762059 GTRRBZOZMYKWEV-KRWDZBQOSA-N 464.613 2.200 30 10 JEEE C=CCC(C)(C)Cn1c(Cc2ccccn2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1301153732 BGLHDVBUFOBYLE-OAQYLSRUSA-N 488.658 2.497 30 10 JEEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)Nc2ccc(F)cc2)CC1 1301458884 IAOCVRDHGPRGCW-OAHLLOKOSA-N 462.551 2.296 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CCN(C2CCOCC2)CC1 1301484471 HEKAWCQGGUCUCK-UHFFFAOYSA-N 495.447 2.372 30 10 JEEE Cc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CC2(CS(C)(=O)=O)CC2)cc1C 1304424589 GXWGZOPCRNOWGL-IBGZPJMESA-N 459.572 2.028 30 10 JEEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)NC[C@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 1312405896 YKRBGXPIUFHLAX-SFTDATJTSA-N 452.555 2.459 30 10 JEEE C#CCCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1358911210 NRPBQVVFFFAMJM-QGZVFWFLSA-N 483.598 2.163 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCOc2ccccc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1359103505 PCJFDTRXJGVNKQ-SFLYRZDNSA-N 469.586 2.222 30 10 JEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](Cc2ccccc2)C1 1359203413 OUGQDXWYFWNHQX-VXKWHMMOSA-N 489.642 2.415 30 10 JEEE C=CCn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1359288964 NNEAEDUVBBMRBY-XMMPIXPASA-N 468.646 2.489 30 10 JEEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(C)CCOc1ccc(Cl)cc1 1359299200 YHPZVMQFBCTTLL-UHFFFAOYSA-N 472.933 2.477 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)CCc1ccc(Cl)cc1 1359332435 XSCXELZCIGDSGA-QGZVFWFLSA-N 451.980 2.162 30 10 JEEE CC(C)(C)c1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1359506268 GCYLOYAHBOCYHJ-QHCPKHFHSA-N 473.599 2.045 30 10 JEEE C[C@H]1CCCCN1CCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(CC#N)CC1 1360677748 GLVNPXVDQHQPOX-ZWKOTPCHSA-N 451.641 2.283 30 10 JEEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCO[C@H]3CCN(Cc4ccccc4)C[C@H]32)c1 1452831349 ITSSQYNLHGNWDU-PKTZIBPZSA-N 455.580 2.266 30 10 JEEE CCN(CC)[C@H](C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@](F)(C#N)C1 1501973677 GLAMOXKUFDFQPG-VGOFRKELSA-N 477.610 2.368 30 10 JEEE CN(CCn1cccn1)c1nnc(COc2ccc(C#N)cc2)n1CCN1CCOC(C)(C)C1 1503615911 BYLOAWOHEASPBN-UHFFFAOYSA-N 464.574 2.172 30 10 JEEE COc1cc(Cn2c(Cc3cccnc3)nnc2N2CCO[C@H](C#N)C2)cc(OC)c1OC 1504094223 BBGMZIDHYZLDPZ-GOSISDBHSA-N 450.499 2.067 30 10 JEEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2nc(C)c(C)s2)CC1=O 1504924692 DMSROWHYFYZEIN-UHFFFAOYSA-N 495.609 2.340 30 10 JEEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 1507572384 HWHWOSSEYUETMI-SFTDATJTSA-N 492.628 2.156 30 10 JEEE C#CCN(c1nnc([C@H]2COc3ccccc3O2)n1CCOC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1507633182 DFUGHTUYTSUIRU-FXAWDEMLSA-N 474.583 2.232 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCN1CCC)[C@@H]1CCS(=O)(=O)C1 1507640617 UQIWSYPRXOZPIV-FCHUYYIVSA-N 496.637 2.230 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(C)(C)CN1CCCC1 1507648085 JSRLHNBQLLBRSI-UHFFFAOYSA-N 457.582 2.387 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H]1CCCS(=O)(=O)C1 1507711016 YAKFKHMGSACVDX-LJQANCHMSA-N 468.583 2.042 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccccc3)n2CC[C@H](N2CCOCC2)C(F)(F)F)CC1 1507722631 CIJYCLDLRGZZMA-FQEVSTJZSA-N 462.520 2.354 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCC[C@@H](n2cncn2)C1 1508075871 XUWQBKCBKDOJMI-LJQANCHMSA-N 480.573 2.476 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(C)(C)NC(=O)OC(C)(C)C)C1 1508124937 NDMBUKKEDDNYQD-DLBZAZTESA-N 483.635 2.265 30 10 JEEE C=CCS(=O)(=O)CCn1c(CSc2ccccc2OC)nnc1N1CCO[C@H](C)C1 1508148441 HIEKNLFRADKASD-MRXNPFEDSA-N 452.602 2.405 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@@H]1CCOC1 1508148798 KHHNSGPJZQDMPI-ROUUACIJSA-N 483.635 2.424 30 10 JEEE CN(C)c1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)cn1 1516997698 AWNWLHAATHUMTK-HXUWFJFHSA-N 465.583 2.339 30 10 JEEE CNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCN(C(C)C)CC2)C1 1517498612 HJVHORKAVJWGIQ-OAQYLSRUSA-N 465.602 2.014 30 10 JEEE COc1ccc(CCc2nnc(N3CCC[C@](C)(C#N)C3)n2CCC(=O)N2CCOCC2)cc1 1518203888 DUNWTZBUMIBUGI-RUZDIDTESA-N 466.586 2.451 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CCCN(C)CC(F)(F)F)c1 1539042007 BCXDVTWLCFCHNT-GOSISDBHSA-N 491.518 2.170 30 10 JEEE C#CCN(CCOC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H]1COc2ccccc2O1 1539401019 PQOYMAKIXWMFCQ-YADARESESA-N 456.543 2.245 30 10 JEEE C=CC1CCN(c2nnc(C(=O)NC(CC)CC)n2CCc2ccc(S(N)(=O)=O)cc2)CC1 1539871779 SZTIWJIWSOXVEW-UHFFFAOYSA-N 474.631 2.489 30 10 JEEE C=CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)NC)CC1 1539968311 YHPCPLKMAHIFIP-SFHVURJKSA-N 477.610 2.404 30 10 JEEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1540019486 JDGALHUZNNVJFB-LJQANCHMSA-N 454.579 2.002 30 10 JEEE C=CCCCn1c(N2CCN(c3nccc(OC)n3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1540021530 SUVQHIGMDCSOJS-HSZRJFAPSA-N 457.579 2.410 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@]1(C)COCCO1 1540121209 PULMVLLWZSFFLI-WMZHIEFXSA-N 476.599 2.187 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1=CCCOC1 1540180478 OWZLOJWWAUAVFL-QFIPXVFZSA-N 487.626 2.193 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1540869454 NUJUJNBFLNOQQZ-QGZVFWFLSA-N 455.563 2.396 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 1540872970 IAGJLKPBWJJVED-LJQANCHMSA-N 465.602 2.041 30 10 JEEE C=CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1540912407 XLALORYECOCQQX-NRFANRHFSA-N 465.627 2.479 30 10 JEEE C=CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(C(=O)COC)CC1 1540917041 MJDZREFCNNEFDU-IBGZPJMESA-N 459.572 2.005 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC(F)F)C1 1541221078 GXQSJLXWABPUEI-MRXNPFEDSA-N 475.500 2.301 30 10 JEEE CCN1CCC[C@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)[C@H](C)CC#N 1547671999 BYZWTOYIRMBLME-MJGOQNOKSA-N 459.620 2.418 30 10 JEEE N#Cc1ccc(N2CCN(C(=O)COc3ccc(F)cc3)[C@H](C(N)=O)C2)cc1C(F)(F)F 1548368124 VBHNXIMJZNHQBA-SFHVURJKSA-N 450.392 2.298 30 10 JEEE COCCN(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1555519444 GWYQJFVORUOAFM-YADARESESA-N 454.575 2.169 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1595648547 FGAVMCCIYBWKFB-BJLQDIEVSA-N 474.631 2.174 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CCCN(C(=O)C2CC2)CC1 1595823829 STKYVCNLNKXOPE-UHFFFAOYSA-N 487.626 2.215 30 10 JEEE C=CCn1c(S)nc2cc(C(=O)NC[C@@H](Oc3ccc(F)cc3)C(=O)OC)ccc2c1=O 1611112395 SSXQFAXDADDQCM-GOSISDBHSA-N 457.483 2.361 30 10 JEEE CN(C)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)N2CCCCC2)CC1 1617622428 DXPXTKQHGXFPTJ-UHFFFAOYSA-N 478.645 2.291 30 10 JEEE C=C(C)Cn1c(SCC(=O)N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)nnc1-c1ccco1 1618695427 CGUFMWXSXJEVBK-OAQYLSRUSA-N 458.544 2.043 30 10 JEEE COCC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2nccnc2C)CC1 1619770245 CFVWXLNRWKDSSI-XMMPIXPASA-N 462.558 2.029 30 10 JEEE N#CCCN(CCN1CCOCC1)C(=O)[C@@H]1CCCN(C(=O)N2CCc3sccc3C2)C1 1627067881 HZPOPWKYIXNPMB-HXUWFJFHSA-N 459.616 2.013 30 10 JEEE COc1ccc(NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)cc1OCc1cccnc1 1641153619 FBTJXAMDIAELSQ-UHFFFAOYSA-N 452.492 2.458 30 10 JEEE C=CCN1CC[C@H](N2CCN(S(=O)(=O)c3cc(C(F)(F)F)ccc3Cl)CC2)C1=O 1644314520 ZEGKBGHANNYZCV-HNNXBMFYSA-N 451.898 2.452 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H](C)N(C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1689992963 RTUOAYGGPUNLLR-NFBKMPQASA-N 478.622 2.416 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCN(C)C(C)C 1690048818 PJPICYXDUNTSQO-FQEVSTJZSA-N 458.607 2.390 30 10 JEEE C#CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1690155116 GDCYCXVFXAFCLK-IAGOWNOFSA-N 475.958 2.342 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(NC(=O)COC)CC1 1690252884 KBQCKENVWTYKFF-CPJSRVTESA-N 494.596 2.441 30 10 JEEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)Cc1ccc2c(c1)OCO2 1690345974 IFNZNPKCPGMGLU-GOSISDBHSA-N 483.978 2.119 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C(CC)CC)N(C)C)CC1 1690375219 DECAEODHNPUUDE-UXHICEINSA-N 468.668 2.134 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCCO3)n2CCNS(=O)(=O)c2ccccc2)C1 1690700500 SXOYQWDGXCKXML-QUCCMNQESA-N 461.588 2.280 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN2CCOC[C@H]2C1 1690719732 RXBLECARQVIHKR-MRXNPFEDSA-N 486.425 2.374 30 10 JEEE CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cccnc2OCC(F)F)CCO1 1690955818 FMPXOCIKBIQIHP-HXUWFJFHSA-N 497.506 2.245 30 10 JEEE C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC(=O)N(C)C 1692818541 ALJLGKRLYORUSB-SJORKVTESA-N 493.547 2.022 30 10 JEEE CN(C)C(=O)CCn1c(Cc2cccnc2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1696585779 CXQKDFGHFSYZQA-UHFFFAOYSA-N 462.533 2.080 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(C3CC3)CC2)c1 1705503806 FFZAXXIXYZWKIE-INIZCTEOSA-N 470.599 2.135 30 10 JEEE C#CCCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1705511645 AZRAKWQJCACRAH-UHFFFAOYSA-N 472.952 2.468 30 10 JEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](CN2CCCC[C@@H]2C)C1 1705524837 SUMFEOZIZYMKKE-SLFFLAALSA-N 450.653 2.393 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1CCc1ccc(F)cc1C)[C@@H]1CCS(=O)(=O)C1 1705564808 CSKBXDWTSWSPCU-LJQANCHMSA-N 454.531 2.052 30 10 JEEE C#CCN(c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C1CC1)[C@H]1CCS(=O)(=O)C1 1705566893 RNVQSFJXPUPNRU-WMZOPIPTSA-N 463.604 2.354 30 10 JEEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCN1CCCCC1=O 1705611250 VLUASILRASSELN-UHFFFAOYSA-N 457.604 2.100 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2CCS(=O)(=O)C(C)(C)C)CC1 1705650564 UTLOBKHFYZYNLW-UHFFFAOYSA-N 485.654 2.356 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OCC)n2Cc2nnc(C)s2)CC1 1705651424 WMCXJGLKLIMEJW-UHFFFAOYSA-N 495.609 2.430 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 1705693084 BJKKQFURFHVXMG-TZIWHRDSSA-N 484.576 2.499 30 10 JEEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)Nc2cccc(C)c2C)CC1 1705727800 BRWISFVRSSTJNE-UHFFFAOYSA-N 465.602 2.354 30 10 JEEE C=C(Cl)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1705752295 PPHARRHQCFERIC-UHFFFAOYSA-N 482.976 2.057 30 10 JEEE C=CCC(C)(C)Cn1c(N2CCC(NS(C)(=O)=O)CC2)nnc1[C@@]1(OCC)CCOC1 1705802197 DMGLONPMBHXOFB-OAQYLSRUSA-N 455.625 2.051 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1705898409 KQVGQQPREWHYBA-PZJWPPBQSA-N 498.628 2.200 30 10 JEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1705906287 YYYAKYJZWSRRPC-INIZCTEOSA-N 456.576 2.087 30 10 JEEE C=CCOc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CCN(C(C)=O)C[C@@H]2C)cc1 1705911024 WELNZHAOKSLHPO-SFHVURJKSA-N 452.559 2.071 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1705933651 OEENRIQOEYXWHZ-LJQANCHMSA-N 484.626 2.107 30 10 JEEE CC(C)SCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(C#N)cc1 1706714790 ALFAEHWGQKDFSR-IBGZPJMESA-N 478.644 2.261 30 10 JEEE N#Cc1ccc(-c2nnc(N3CCS(=O)CC3)n2C[C@H]2CCN(CC(F)(F)F)C2)cc1 1712880535 BZXXBSKRGVCXDO-INIZCTEOSA-N 452.506 2.270 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1722367060 LSNCLFJXJNVXPE-WOJBJXKFSA-N 450.605 2.006 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1CCOc1ncccc1F)[C@H]1CCS(=O)(=O)C1 1722371535 JYASMXGGDWCVIF-IBGZPJMESA-N 499.568 2.405 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CCC(=O)NC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1722371668 XOILZFQFWRTASC-IBGZPJMESA-N 487.626 2.097 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)COc1ccccc1OC 1722397295 OZUZUVORCAEHAA-WOJBJXKFSA-N 470.595 2.367 30 10 JEEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1Cc1cccc(-n2cncn2)c1 1722401272 QYFZWLIYFUBRIT-UHFFFAOYSA-N 470.562 2.362 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1CCc1nccnc1C 1722420834 MAHMGJRHUINTEV-UHFFFAOYSA-N 458.364 2.473 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCCCN2C[C@@H](C)C[C@H](C)C2)CC1 1722441168 MQIOLJWBYDYEKF-SFTDATJTSA-N 485.677 2.140 30 10 JEEE C#CCSCCn1c(-c2cccc(OC)c2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1722453863 FEKDLTOOOQUXLU-UHFFFAOYSA-N 463.629 2.180 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1722501908 HALNAHIMTMIVRE-WIYYLYMNSA-N 473.622 2.012 30 10 JEEE C=CC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(C(N)=O)CCOCC2)CC1 1722579738 SNKUIYPGMIXYNQ-UHFFFAOYSA-N 450.543 2.413 30 10 JEEE C=CCCCCn1c(-c2ccc(Br)s2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1722598038 XFQJEHKRCWZCAH-ZDUSSCGKSA-N 479.404 2.272 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)c1cccc(Cl)c1 1722672201 MBTNYHWNXUFPAG-UGKGYDQZSA-N 496.033 2.351 30 10 JEEE C=CCN(CCc1ccco1)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCCS1(=O)=O 1722674259 ALZQZBUIOUYQSS-LJQANCHMSA-N 461.588 2.310 30 10 JEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2cc(OCC(C)(C)F)ccc2C1 1722685247 ATKAXOVTUYLPAV-FQEVSTJZSA-N 493.605 2.487 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccnc3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)C1 1722712703 YCPMFUIPNNFCSL-LEWJYISDSA-N 453.591 2.064 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1722731938 SFRTWVUGMDGWQC-NHCUHLMSSA-N 476.599 2.151 30 10 JEEE C#CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1740565032 HGJNTKVHKNYPFN-UYAOXDASSA-N 453.543 2.311 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CCC(=O)N1CCCCCC1 1740653778 YBVLLMCTIPYQHT-UHFFFAOYSA-N 450.543 2.261 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1c(C)noc1C 1740684474 SGFXGIXOFKNXTI-UHFFFAOYSA-N 461.526 2.414 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1nccs1 1740685039 AHDAVFFQOQRQEY-INIZCTEOSA-N 462.576 2.177 30 10 JEEE C#CCN1CCN(c2nnc([C@H](CC)c3ccccc3)n2C[C@H]2CCCN2CCCO)CC1 1740690348 ISRIUOOFTDZDRG-DNQXCXABSA-N 450.631 2.422 30 10 JEEE C#CCN1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC2([S@@](C)=O)CC2)CC1 1740696044 KXDKTORXAAGYDJ-UUWRZZSWSA-N 490.674 2.059 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(Br)cc3)n2CC2([S@@](C)=O)CC2)CC1 1740699479 IQEAIQCJFMNKCW-SSEXGKCCSA-N 492.443 2.286 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2Cc2cc(Cl)ccc2OC)CC1 1740708584 UXXBPKAHQVFRTG-UHFFFAOYSA-N 484.988 2.077 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccnc2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1740758487 XYBZYLUNUMXWQL-IHPCNDPISA-N 460.604 2.087 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](Cc2ccccc2)C1 1740810490 DASYKNSKWUIVAI-MOPGFXCFSA-N 466.007 2.433 30 10 JEEE C=CCN(C)c1nnc(-c2ccc(F)cc2Br)n1C[C@@]1(O)CCS(=O)(=O)C1 1740895188 UNCJKGQLAGVRMG-KRWDZBQOSA-N 459.341 2.019 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCCN(Cc2ccc(F)cc2)CC1 1740951863 PBAZQRDJFNCVNM-UHFFFAOYSA-N 492.559 2.079 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 1740962509 FZLGIXDOGACWOP-FPOVZHCZSA-N 499.685 2.050 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCC[C@@H](NC(C)=O)C1 1740990370 SHXSUNACAQNVSR-GOSISDBHSA-N 470.599 2.143 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(c2cccc(F)c2F)CC1 1740990629 XWBYZYAXMPKKGZ-UHFFFAOYSA-N 462.526 2.479 30 10 JEEE C=CCSCCn1c(C2CC2)nnc1N1C[C@@H]2[C@@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1741001459 UZSOHHSKBZCTNM-IKGGRYGDSA-N 483.660 2.201 30 10 JEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1741002717 LMANXXMFGUJLLG-ZDUSSCGKSA-N 476.550 2.335 30 10 JEEE CC1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H](CNS(C)(=O)=O)C2)CCOCC1 1742010638 CGRLSZFLEJOGDX-LJQANCHMSA-N 472.615 2.399 30 10 JEEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1C[C@@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1748766311 MPBYHCKKOSBCDP-FGTMMUONSA-N 481.557 2.019 30 10 JEEE C#CCN(CC)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1748931393 XDOHWUXENPZDRG-GOSISDBHSA-N 461.492 2.239 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1nnc(C)s1 1748970399 BYOJEVGTFFSZNS-IYBDPMFKSA-N 461.592 2.343 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 1749114951 JNZRUJRMMCUAMA-LPHOPBHVSA-N 472.550 2.344 30 10 JEEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1749195509 QLCBSRYWENKTGR-IKGGRYGDSA-N 462.551 2.097 30 10 JEEE C=CCCCCn1c(-c2cccn2C)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1749395281 FJKOKKFCGIVZIH-UHFFFAOYSA-N 459.576 2.280 30 10 JEEE CC(C)(CN1CCCC1)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](C#N)C1 1750528902 HNLCNMVVHKEMOW-LJQANCHMSA-N 472.615 2.199 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1SCCc2ccccc21 1760118106 YBJRWAPEELVNMR-VDGAXYAQSA-N 475.640 2.100 30 10 JEEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1760162111 ZGECCSBXBUBQOL-OALUTQOASA-N 450.605 2.353 30 10 JEEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccnc(OCc2ccccc2)c1 1760173709 AXNHEOLBRZPHQJ-HXUWFJFHSA-N 451.552 2.272 30 10 JEEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cc2ccccc2s1 1760175536 LSJDFIZTGQBNET-SFHVURJKSA-N 459.597 2.138 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccc(OCC(F)(F)F)nc1)[C@@H]1CCS(=O)(=O)C1 1760191915 BGDMFLYUMCUOOO-IAGOWNOFSA-N 499.515 2.141 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@](C)(O)C(C)C)CC1 1760263711 MGYHBOJQXRAPLF-YDIMBITNSA-N 460.623 2.211 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2C[C@@](C)(O)[C@H](C)CC)CC1 1760268241 GJXBUGUZUDHKSB-WGDIFIGCSA-N 491.596 2.357 30 10 JEEE C=C(C)COCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@H](C(=O)OC)C1 1760352229 SFYDMJHYJRCYFZ-LJQANCHMSA-N 491.614 2.178 30 10 JEEE C=CCSCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CC(=O)N(C)C[C@@H]1C 1760567732 LJMUXNOYDNIXDI-NRFANRHFSA-N 483.686 2.229 30 10 JEEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2CCN(C(=O)OC)CC2)C[C@H](C)O1 1770960210 FQRSWGOKZDRNEW-AVRDEDQJSA-N 498.584 2.447 30 10 JEEE Cc1nc(N2CCCN(S(=O)(=O)c3ccccc3C#N)CC2)nc(O)c1-c1cccnc1 1858583008 KTOCBQUAVMVSSJ-UHFFFAOYSA-N 450.524 2.325 30 10 JEEE CC(C)(C)c1nnc(N2CCN(CC(=O)[C@@H](C#N)c3nc4ccccc4s3)CC2)nc1O 1859428373 XBVRXHWFLJWMJQ-CQSZACIVSA-N 451.556 2.483 30 10 JEEE COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCN(C)C)cc(OC)c1O 1862612977 UVUNJBWFXUPEBY-NRFANRHFSA-N 484.505 2.321 30 10 JEEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1cccc(F)c1 1865724230 JIXKXWARGDUEBS-KRWDZBQOSA-N 458.534 2.394 30 10 JEEE C=CCOc1ccccc1[C@@H]1C(C(=O)N[C@@H](C)c2ccccc2)=C(N)Oc2c1c(=O)n(C)c(=O)n2C 1865726083 IYJQENZQEANBIT-OXJNMPFZSA-N 488.544 2.221 30 10 JEEE CC(C)OC(=O)c1ccc(Cn2nnc(C#N)c2NC(=O)CCN2C(=O)c3ccccc3C2=O)cc1 1870107404 IAWRGNKMMFOQQA-UHFFFAOYSA-N 486.488 2.388 30 10 JEEE COc1cc(-n2nnc(C#N)c2NC(=O)CNC(=O)c2ccc(Cl)cc2)cc(OC)c1OC 1870140118 AHSWYXYFLFBOIE-UHFFFAOYSA-N 470.873 2.187 30 10 JEEE N#Cc1ccc(COc2cn(CCCCCO)c(CN3CCC(C(N)=O)CC3)cc2=O)cc1 1870349894 HPOJPDSZHXLVRM-UHFFFAOYSA-N 452.555 2.159 30 10 JEEE C=CCn1cc(OCC(=O)NCC)c(=O)cc1CN1CCN(C/C=C/c2ccccc2)CC1 1870530124 YEEMUFVJLDMTNT-DHZHZOJOSA-N 450.583 2.380 30 10 JEEE COCCN1CC(=O)C(c2nc3ccccc3s2)=C1NC(=O)[C@H](C)N1C(=O)c2ccccc2C1=O 1873711600 ZGMWIVWIGZGIPV-AWEZNQCLSA-N 490.541 2.297 30 10 JEEE CCCNC(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1ccc(OC(C)C)c(OC)c1 1874432696 SFJXMNJBJMAYEI-BHGWPJFGSA-N 462.576 2.211 30 10 JEEE C[C@H]1COc2c(F)c(F)cc3c(=O)c(C(=O)N4CCN(c5ncccc5C#N)CC4)cn1c23 1891646393 QEJUFBNZXHHRNH-ZDUSSCGKSA-N 451.433 2.462 30 10 JEEE CC(C)[C@@H](C#N)CS(=O)(=O)N(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C 2006287808 OSZZUBWGUBMLAK-INIZCTEOSA-N 462.613 2.463 30 10 JEEE Cc1ccnc(N2CCN(C(=NCCCN(C)c3ccccc3)NC[C@H]3COCCO3)CC2)c1 2087917229 GWJOKUOZGBRGNW-DEOSSOPVSA-N 466.630 2.400 30 10 JEEE C[C@H](C(=O)N1CC(CB2OC(C)(C)C(C)(C)O2)C1)N1CCN(C(=O)OC(C)(C)C)CC1=O 2124542403 DOUMTRHVMMJJIN-OAHLLOKOSA-N 451.373 2.005 30 10 JEEE CC1(C)OB(c2cccnc2C(=O)NCC2CN(C(=O)OCc3ccccc3)C2)OC1(C)C 2247856008 BMOBQHBHLFSXLH-UHFFFAOYSA-N 451.332 2.379 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@H](NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2247882462 PACUMLSODQQFJG-JOCQHMNTSA-N 458.411 2.381 30 10 JEEE CN(C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CC[C@@H]1NC(=O)OCc1ccccc1 2255832301 KCBPYEKPTMRIIB-RBUKOAKNSA-N 468.363 2.249 30 10 JEEE CON(C1CN(C(=O)OC(C)(C)C)C1)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2255948879 QGUKHYHVEGIWFU-UHFFFAOYSA-N 474.410 2.219 30 10 JEEE CC(C)(C)OC(=O)N[C@H](C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(C)(C)O 2256678417 NCIAKJXCXIIQSU-OAHLLOKOSA-N 454.398 2.328 30 10 JEEE Cc1cc(S(=O)(=O)NC[C@@H]2C[C@H]2NC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2267364626 BYQFNPPIIPNSDK-MAUKXSAKSA-N 466.409 2.486 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1NC(=O)[C@@H](O)[C@@H](C)NC(=O)OC(C)(C)C 2268632552 LPUFEYKODABCOJ-DYVFJYSZSA-N 450.341 2.207 30 10 JEEE CC(C)(C)OC(=O)N[C@H](C(=O)NCc1sccc1B1OC(C)(C)C(C)(C)O1)C1(O)CCC1 2268702585 VUVGZUWDZIQIPB-MRXNPFEDSA-N 466.409 2.472 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2ccc(F)c(B3OC(C)(C)C(C)(C)O3)c2)[C@@H](O)C1 2281790305 UALNLSDBYCRDGO-MSOLQXFVSA-N 464.343 2.225 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](CNC(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)OCC12CC2 2281830396 LMEGPMGVFJCEEI-INIZCTEOSA-N 462.352 2.477 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@](CNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)(C2CC2)C1 2281988361 LCJXGJCROKITMX-HSZRJFAPSA-N 460.384 2.476 30 10 JEEE CCN(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nn(C)c1C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2281990763 RBAIULLQSYIFSO-INIZCTEOSA-N 462.400 2.499 30 10 JEEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1N(C)C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2282030185 BSWPOPBVRPILLQ-NVXWUHKLSA-N 460.384 2.493 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1C[C@H]2C[C@H]1CN2C(=O)OC(C)(C)C 2282052583 OQZMIAGGIWHZRC-UXLLHSPISA-N 460.384 2.330 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@@H]1CNCCN1Cc1ccccc1 2282112978 KKAIVNANUHOBSY-NRFANRHFSA-N 452.408 2.011 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H](C)C1(O)CN(C(=O)OC(C)(C)C)C1 2282132980 WUCIYEMZWKZVAI-MRXNPFEDSA-N 460.380 2.394 30 10 JEEE CCc1nc(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 2282141717 JYMVRIZVAQWFFO-UONOGXRCSA-N 481.424 2.105 30 10 JEEE CC1(C)OB(c2ccsc2S(=O)(=O)N2C[C@@H]3OCCN(Cc4ccccc4)[C@@H]3C2)OC1(C)C 2282329384 LQJWWCGIIXSILT-UXHICEINSA-N 490.456 2.321 30 10 JEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@@]1(C)CCCN1Cc1ccccc1 2282353667 WZOQYQJQLVEWCC-HSZRJFAPSA-N 474.436 2.052 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2282395417 MAUNKDZWQBFYSQ-KDOFPFPSSA-N 464.343 2.083 30 10 JEEE CCc1nn(C)c(C(=O)NCCC2(NC(=O)OC(C)(C)C)CC2)c1B1OC(C)(C)C(C)(C)O1 2282559148 HJRGSDHRRGLLEM-UHFFFAOYSA-N 462.400 2.459 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@H](NC(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2282581222 FFZAYUHPPHTEGZ-ZOBUZTSGSA-N 460.384 2.474 30 10 JEEE Cn1nc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CCC2(C)C)cc1B1OC(C)(C)C(C)(C)O1 2282612539 UOTKNVNYCOFLNL-INIZCTEOSA-N 462.400 2.485 30 10 JEEE C[C@@H](OCc1ccccc1)[C@H](NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1O)C(=O)O 2284429220 BTZASEAZRNVKBZ-QRWLVFNGSA-N 455.316 2.480 30 10 JEEE COC(=O)c1[nH]c(C)c(C(O)=C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2cccc([N+](=O)[O-])c2)c1C 2296136299 ZDSAHPPZUNMTES-LJQANCHMSA-N 470.482 2.310 30 10 JEEE COCCc1nnc(SCC(=O)NCc2ccccc2)n1N=Cc1cccc(OC)c1O 2331311332 QVVLPLMUKBJIPF-UHFFFAOYSA-N 455.540 2.472 30 10 JEEE Cn1cc([C@@H](NC(=O)OC(C)(C)C)C(=O)N2CC[C@@H]3C[C@]3(B3OC(C)(C)C(C)(C)O3)C2)nn1 2357336848 VTCHKDKNQWCQPX-YGHRGLEHSA-N 461.372 2.466 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](O)[C@H]1CNc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2365059667 UUYBAMTYIVQKDW-AOIWGVFYSA-N 461.368 2.479 30 10 JEEE COc1ccc(OC)c([C@H]2/C(=C(/O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN(C)C)c1 102701608 XQOOMYQSDUPOHO-VFJWVMJUSA-N 468.506 2.458 30 10 JEEE COc1cc(C=c2sc(=C(C#N)c3nnc4n3CCCCC4)n(-c3ccccc3)c2=O)ccc1O 254463170 LJODITXVQMGXGH-UHFFFAOYSA-N 485.569 2.482 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)C[S@@](=O)CC(=O)OCCc2ccccc2)nc1C 586305224 UDIKXTMGAIKLQJ-SSEXGKCCSA-N 450.538 2.267 30 10 JEEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1csc(-c2ccc(Br)cc2)n1 725825358 AKCSQNCZFGVTMY-CQSZACIVSA-N 475.411 2.384 30 10 JEEE COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)OC(=O)[C@H](C)Oc1ccc(C#N)cc1 821043782 BKNSNACJVYLSCZ-CABCVRRESA-N 475.523 2.155 30 10 JEEE C#Cc1cccc(NC(=O)CNC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Br)cc2)c1 918342761 RTQZCCAHPJCROU-LJQANCHMSA-N 490.379 2.338 30 10 JEEE NS(=O)(=O)c1ccc(NC(=O)CSc2n[nH]c(NN=Cc3ccc(Cl)cc3)n2)cc1 1084359492 CJFMHQJIBKFQOV-UHFFFAOYSA-N 465.948 2.282 30 10 JEEE C#CC[C@@H](CCOC)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 1131709440 QTZQAZJDLLZOMH-WBVHZDCISA-N 457.390 2.394 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccnc(OC2CCOCC2)c1 1286308367 IGTHWZANMTVVAG-JLMWRMLUSA-N 455.559 2.461 30 10 JEEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCCN(C(=O)c2ccccc2F)CC1 1286356768 VABHYGNUAZHWEO-UHFFFAOYSA-N 452.534 2.306 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1CCc1cccnc1)[C@H]1CCS(=O)(=O)C1 1286392854 CRCSOHCUOQCWTF-IBGZPJMESA-N 469.542 2.261 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCN(C)CCCC)CC1 1286489195 JDGPLWWXUKZBBY-UHFFFAOYSA-N 480.613 2.414 30 10 JEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 1286503904 GVXSFYCVDVUQPI-IBGZPJMESA-N 458.632 2.071 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1286549749 GVIQCKDTIRTQCV-VWNXMTODSA-N 477.613 2.445 30 10 JEEE C=C(C)COCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1286604398 SLBZCNXNSCCSEE-QGZVFWFLSA-N 450.561 2.178 30 10 JEEE C=C(C)COCCn1c([C@H]2COc3ccccc3O2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1286607511 HPVJJOQNYARJSF-OAQYLSRUSA-N 491.614 2.244 30 10 JEEE C=CCCOCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(CNC(C)=O)CC1 1286709790 FBFAJAHMUWPROR-UHFFFAOYSA-N 479.585 2.137 30 10 JEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC(F)F)cc1)C1CC1 1286737923 PDOVPOAFFFUVOU-GOSISDBHSA-N 483.541 2.416 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H]1c1cnn(C)c1 1286816022 DTVXHKPMINJVMX-HXUWFJFHSA-N 451.556 2.493 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1286816243 DFAHIYOICVKHGA-PKOBYXMFSA-N 488.589 2.335 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1286816643 MDRKEKDSAYARAY-UHFFFAOYSA-N 467.555 2.041 30 10 JEEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@](C)(C#N)C1 1286822231 BBUSBHHDSSYGCO-FQEVSTJZSA-N 462.601 2.000 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCC(NC(=O)c2ccsc2)CC1 1286822623 LXMOBQHUTLHEIW-UHFFFAOYSA-N 463.629 2.292 30 10 JEEE CN(C)C(=O)C1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCO[C@@H](C#N)C2)CCCC1 1297947444 APEYSYRVAFJJHW-FQEVSTJZSA-N 463.542 2.106 30 10 JEEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1300372468 RPCYKSBUOPTYFD-JOCHJYFZSA-N 466.634 2.076 30 10 JEEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC2(CC1)COC(=O)N2 1300411059 CPLXIBZODNBQGU-QGZVFWFLSA-N 474.562 2.079 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2ccccc2F)n1CC1(C)COC1)[C@H]1CCS(=O)(=O)C1 1300482031 CWPDDZLANXUDBX-SJORKVTESA-N 462.547 2.220 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1CCc1cccc(F)c1F)[C@@H]1CCS(=O)(=O)C1 1300486740 ACLSRKSDUNJJGM-GOSISDBHSA-N 457.506 2.488 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@H]1CCCS1)[C@H]1CCS(=O)(=O)C1 1300498927 OCICLBKHNPERTF-RBUKOAKNSA-N 460.625 2.400 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CCc1ccc(F)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1300499129 PSUGGBWJXNYENI-LJQANCHMSA-N 471.533 2.412 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(OC)cc2)CC1 1300728904 JKELGYLPXBGHAI-UHFFFAOYSA-N 461.570 2.162 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCN(CC)C2)CC1 1300731325 OHHHCTVSHMDHDS-NRFANRHFSA-N 475.597 2.036 30 10 JEEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1300741323 SOFFQYXNAGNIHW-CQSZACIVSA-N 472.434 2.416 30 10 JEEE C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1CC(F)(F)C1 1300848293 CMNMOVHSSVCUAS-ZDUSSCGKSA-N 484.367 2.001 30 10 JEEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2c(Cl)cccc2C1 1300991128 POCKRUWFGXCUCU-FQEVSTJZSA-N 496.033 2.420 30 10 JEEE C=CCOc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2cnccn2)cc1 1301527582 YWBVAWSRUQRUFQ-SFHVURJKSA-N 454.556 2.220 30 10 JEEE CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@H](C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 1313618467 BUNNECCGQGHMQJ-CTNGQTDRSA-N 486.642 2.474 30 10 JEEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCS(=O)(=O)CC1CC1 1358946510 XOOHYPWAODQNLX-UHFFFAOYSA-N 468.583 2.130 30 10 JEEE C#CCN(CC#CC)c1nnc(COc2ccccc2OC)n1CCN1CCN(C)C(C)(C)C1 1358998207 VPWZANSDRMKCMD-UHFFFAOYSA-N 464.614 2.355 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(Cl)c2c(c1)OCCO2 1359009119 IQHJEGNXFXNUAL-OAHLLOKOSA-N 450.948 2.113 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C/C=C/CC 1359017244 YLFHFOKSWMKAEM-ROUKRRSUSA-N 461.563 2.356 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CCCCC3)n1CCN1CCCS1(=O)=O 1359019911 MBEAXYWLHQJJJO-UHFFFAOYSA-N 477.656 2.397 30 10 JEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(F)c(COC)c2)CC1 1359038486 YCZWYILLJHWSAU-UHFFFAOYSA-N 451.550 2.229 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCNC(=O)C(C)C)CC1 1359040570 ALOWLZXMCJTLBI-GOSISDBHSA-N 484.576 2.295 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CCO[C@@]2(CCOC2)C1 1359295219 UQWNIAKJCCWCPY-FQEVSTJZSA-N 462.348 2.006 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CC=C(COC)CC1 1359298748 KMLGJHGTUQGGKN-UHFFFAOYSA-N 477.569 2.321 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1359302094 WOMOWWLDBFVTRE-UHFFFAOYSA-N 471.627 2.417 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1c1cccc(C)c1 1359326632 GMYKPOFLEWXTQU-HKUYNNGSSA-N 481.644 2.139 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(C(C)=O)CC1 1359327421 ACDXQIAEBFCKLZ-INIZCTEOSA-N 482.006 2.341 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCS[C@H](C)C1 1359329262 DBHRAYAPZABQFX-OAHLLOKOSA-N 450.586 2.259 30 10 JEEE COc1ccc(CN2CC[C@@H](NC(=O)N3CC(Oc4ccc(C#N)cc4)C3)C2=O)c(OC)c1 1470101933 FONDAHJRXSIJCK-OAQYLSRUSA-N 450.495 2.149 30 10 JEEE N#Cc1ccc(CN2CC[C@@H](NC(=O)N[C@H](CO)c3ccc(Br)cc3)C2=O)cc1 1478567051 DXNMAHRXMKPAQY-RTBURBONSA-N 457.328 2.454 30 10 JEEE C=C(CNC(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1)c1ccccc1 1478770202 AJRFDQCRPZFFAU-UHFFFAOYSA-N 458.584 2.160 30 10 JEEE CC[C@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCS(=O)(=O)CC2)C1 1497582019 HSAOGOSYGJAJLF-JOCHJYFZSA-N 473.599 2.295 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1c[nH]c2cccc(C)c12 1507539482 WCCUGZLGMYHBPZ-FXAWDEMLSA-N 470.599 2.101 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1507544623 ZBGKEEYFHNPEJC-LJQANCHMSA-N 492.653 2.313 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(C)(C)CC)c1 1507546151 DOBYJJHQYJWXDP-MRXNPFEDSA-N 460.604 2.381 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1CCC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1507633699 GJQHXVXGHUPTEP-NRFANRHFSA-N 472.611 2.321 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(OCC(F)(F)F)nc2)CC1 1507731414 IBGYNBUBBUHPFA-SFHVURJKSA-N 464.492 2.312 30 10 JEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C)=C(Br)C1 1507746020 JDNBJGHZRNGEOK-CYBMUJFWSA-N 462.439 2.134 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1([S@@](C)=O)CC1 1508008402 NXMHVYNLDPLWOE-WQIZZMQYSA-N 454.643 2.345 30 10 JEEE Cc1cnn(CCn2c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CCO[C@H](C#N)C2)c1 1511419256 HZMVWCSCMYXXLH-RBUKOAKNSA-N 470.578 2.327 30 10 JEEE CCN1CCN([C@@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCCO[C@@H](C)C2)CC1 1515903964 ICYXKNCBFOTOOX-SFTDATJTSA-N 467.618 2.370 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2cccc(C)c2C)n1CC(=O)NCC1CC1)[C@H]1CCS(=O)(=O)C1 1539203725 UBEJLGHQZNDSCJ-FPOVZHCZSA-N 499.637 2.188 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1CCCNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1539218889 FSCGOUHMCPEFLM-QGZVFWFLSA-N 467.636 2.408 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1539231562 VZKVVAHZQQOGFK-UYAOXDASSA-N 462.547 2.192 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccc(N(C)C)cc1C)[C@@H]1CCS(=O)(=O)C1 1539232090 ZNNDVRQHRHNZLH-NHCUHLMSSA-N 457.600 2.179 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 1539318479 RUCJYUHRCLVIQI-MOPGFXCFSA-N 466.586 2.482 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2CC(=O)NC2CCCCC2)CC1 1539484240 ILBUVFILAPVAIS-UHFFFAOYSA-N 476.625 2.478 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)[C@@H]1CCOC1 1539620282 KEEZMGACHJALHB-ZVDOUQERSA-N 475.615 2.402 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CCCCO3)n2CCS(=O)(=O)N2CCSCC2)CC1 1539888482 QCGXJJBWOPQZMP-GOSISDBHSA-N 455.650 2.301 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1539915881 FRAPCMDUGMHRPF-LJQANCHMSA-N 486.642 2.208 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1539916822 OHRHUQWMICSBSR-QZTJIDSGSA-N 469.652 2.465 30 10 JEEE C=CC[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(OCC(N)=O)CC1)c1ccccc1 1539947224 HWEPXWWSTDTOTG-WOJBJXKFSA-N 487.626 2.011 30 10 JEEE COc1cc(NC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)ccc1N1CCCC1=O 1540611794 FLQDYTKOGOZZAB-AWEZNQCLSA-N 456.524 2.278 30 10 JEEE C=CCn1c(COc2ccc(OC)cc2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1540860360 HFXAKGPVWGIIMU-UHFFFAOYSA-N 490.611 2.328 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1540865784 SFMTVVCQSAGGNM-IAGOWNOFSA-N 473.375 2.257 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCN([C@@H](C)c2nc(CC)no2)CC1 1540872062 AYGISIAGDZQIQL-KRWDZBQOSA-N 482.564 2.139 30 10 JEEE C=CCSCCn1c(-c2cccn2C)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1540913065 NLLSSZZETAEDJI-UHFFFAOYSA-N 452.650 2.453 30 10 JEEE CNC(=O)[C@@H]1CN(C(=O)CCc2c(C)n[nH]c2C)CCN1c1ccc(C#N)c(C(F)(F)F)c1 1548367635 BHTHSWCHQDXORD-IBGZPJMESA-N 462.476 2.313 30 10 JEEE N#Cc1ccc(N2CCN(C(=O)COc3ccc(F)cc3)[C@@H](C(N)=O)C2)cc1C(F)(F)F 1548368123 VBHNXIMJZNHQBA-GOSISDBHSA-N 450.392 2.298 30 10 JEEE C[C@@](NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)(C(N)=O)c1cccc(C(F)(F)F)c1 1587063735 DKVIHDKLNULMIR-IBGZPJMESA-N 453.442 2.009 30 10 JEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ncc(CC)s1 1587766508 WBQXCMMXGIAGFR-KRWDZBQOSA-N 466.633 2.070 30 10 JEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CC[C@@H](OCC)C1CCCC1)[C@@H]1CCS(=O)(=O)C1 1588024624 IAQNAZOZUCPFBL-NHCUHLMSSA-N 491.658 2.126 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CCCCS1)[C@H]1CCS(=O)(=O)C1 1588034511 HNHOHLVSPPVHFM-IPJJNNNSSA-N 482.672 2.231 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H]1CCOC[C@H]1OC)[C@H]1CCS(=O)(=O)C1 1588040153 ISGCKPNHFOQNFM-RIFZZMRRSA-N 496.992 2.416 30 10 JEEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCc2ccc(OC)c(OC(F)F)c2)CC1 1588800955 SOFASMZIQHPEIM-UHFFFAOYSA-N 471.512 2.287 30 10 JEEE C#CCSCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1588993232 HVJRGOCGALBIGS-UHFFFAOYSA-N 499.666 2.467 30 10 JEEE C=CC1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC1 1594202466 QWGAVGNLIQQEJS-BWKNWUBXSA-N 474.650 2.275 30 10 JEEE C=CCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1594582366 PDMIOUQIFWXKSJ-UHFFFAOYSA-N 461.570 2.444 30 10 JEEE C=CCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1594798169 OIOCTJAFHQDFNN-UHFFFAOYSA-N 464.570 2.485 30 10 JEEE C=CCCOCCn1c(-c2cccn2C)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1594803230 POGXBBYYARFMND-HXUWFJFHSA-N 455.607 2.009 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC[S@@](=O)CC)C1 1595730722 YFACYCFXDQRPLD-UBQSJUBBSA-N 483.635 2.136 30 10 JEEE Cc1cccc(O[C@@H](C)c2nnc(N3CCO[C@H](C#N)C3)n2CCCN2CCOCC2)c1C 1611828354 FLFNJDBLJAACRQ-LEWJYISDSA-N 454.575 2.486 30 10 JEEE C=CCN(C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1C)[C@H]1CCS(=O)(=O)C1 1622819400 CHGNNDGVNAGKRG-KRWDZBQOSA-N 455.602 2.377 30 10 JEEE C#CCN(CCS(=O)(=O)N1CCN(C(=O)OCc2ccccc2)CC1)Cc1ccccc1 1654395461 YVZVHFMLYWJWNL-UHFFFAOYSA-N 455.580 2.406 30 10 JEEE C#CCCOC(=O)NCCNS(=O)(=O)c1cc(Br)ccc1Br 1660040195 WDSGSADMCSUOCJ-UHFFFAOYSA-N 454.140 2.239 30 10 JEEE CCOC(=O)c1c(NC(=O)N2CCN(c3ccc(C)cc3)C(=O)C2)c(C#N)cn1CCOC 1668605418 BSGAWQLMRAAMOD-UHFFFAOYSA-N 453.499 2.372 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cc(Br)c[nH]3)n2Cc2nncn2C)c1 1689869043 ZFEGMVQYQAUXOQ-UHFFFAOYSA-N 494.357 2.269 30 10 JEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1689916215 CSIQAGFATTYOHP-KDURUIRLSA-N 459.616 2.307 30 10 JEEE C#CCCCn1c(N2CCN(C(=O)c3ccccn3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1689941954 YLPXQMTVMRJENB-XMMPIXPASA-N 452.559 2.090 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2CC[C@@H]2CCO[C@H](C)C2)CC1 1690152737 WIUJINDQDMCVKT-RTBURBONSA-N 498.653 2.441 30 10 JEEE C#CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1690159514 CVDVGHGAVWOIKR-UHFFFAOYSA-N 463.629 2.180 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1690248272 MDDVDYCTURVSAG-DYESRHJHSA-N 463.579 2.472 30 10 JEEE C=C(Cl)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)CC(=O)NC(C)(C)C 1690341401 LVWKNTMJOFPUFJ-UHFFFAOYSA-N 454.000 2.342 30 10 JEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1-n1nc(C)cc1C 1690528295 ZAUYQFWWUOVJMS-OAQYLSRUSA-N 485.614 2.084 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H]1c1ccccc1OC 1690723620 WXRCEIOEQYWITR-ROUUACIJSA-N 459.572 2.180 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC[C@H](C(F)F)N1CCOCC1 1705490606 NOCTTZLADOWNER-FXAWDEMLSA-N 499.566 2.489 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC1(O)CCCC1)[C@@H]1CCS(=O)(=O)C1 1705560633 LZLFGTAYRIMOSY-HXUWFJFHSA-N 485.610 2.079 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1C[C@]1(C)COCCO1)[C@H]1CCS(=O)(=O)C1 1705562559 FPJOMFFJFXOMBU-HRAATJIYSA-N 482.965 2.170 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCc1ccc(F)cc1C)[C@H]1CCS(=O)(=O)C1 1705567796 ZVZSLQKZMKNOKW-FPOVZHCZSA-N 460.575 2.489 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@H](CC(C)C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1705569382 GNWQYIVAENTZAH-UXHICEINSA-N 478.688 2.237 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CC1(OC)CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1705570827 RUBBSDNXXYEOOP-KWLQHXCVSA-N 471.627 2.486 30 10 JEEE C#CCN(c1nnc(CCCc2ccccc2)n1CCC1(O)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1705571069 WMDFCWOPVUJCBC-JOCHJYFZSA-N 486.638 2.012 30 10 JEEE C#CCSCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCS(=O)CC1 1705659158 NDAHQPSHXLAGDL-UHFFFAOYSA-N 470.624 2.171 30 10 JEEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](Cn2cccn2)C1 1705725488 DKXYETZAFLZWBL-RBUKOAKNSA-N 473.578 2.265 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(CCOC)C(=O)C1 1705753459 ATZHDUCWIACHDS-QGZVFWFLSA-N 483.013 2.440 30 10 JEEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](Nc2ccccc2)C1 1705754638 CFBCLLJMNFKOMP-RBUKOAKNSA-N 481.022 2.444 30 10 JEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccc(Cn3cccn3)c2)CC1 1705762981 MQYQMQNCKTWIAI-SFHVURJKSA-N 455.588 2.338 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)Sc1ccccc1 1705843413 DVLDYCMKZZEQGM-WMZOPIPTSA-N 451.618 2.414 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(COC)CCCCC1)C1CC1 1705853402 AAFAWRHCTUCUQG-IBGZPJMESA-N 467.636 2.363 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(C)nn1C 1705863477 UYUMWLZPOUSLHE-INIZCTEOSA-N 461.567 2.310 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCO[C@H]1C(C)C 1705876279 TURYLOXAQVEGMV-UFYCRDLUSA-N 467.636 2.241 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)c2ccco2)CC1 1705894545 CFNSZXIHKZHMPK-UHFFFAOYSA-N 491.552 2.005 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(C(=O)NC)CC1 1705897395 LRBAZHWRRRFCHV-OAHLLOKOSA-N 460.966 2.336 30 10 JEEE C=CCOc1ccccc1Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(C)C(=O)C1 1705913986 CXEXJYADFAFNKT-UHFFFAOYSA-N 466.567 2.161 30 10 JEEE CC[C@H](c1ccccc1)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CC(=O)N(C)C 1708660553 BWJPKIHRVOKACD-AZUAARDMSA-N 473.585 2.285 30 10 JEEE CN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCC=CO1)C1CCN(S(C)(=O)=O)CC1 1711027955 GPQHCYIPIWNJAV-FQEVSTJZSA-N 456.572 2.370 30 10 JEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1ccc(OCC(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 1722358211 FAHBSSNDCPJLHQ-OAQYLSRUSA-N 499.637 2.224 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@](C)(OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1722364440 ZWHCTXVVHAUPFS-NFBKMPQASA-N 453.568 2.259 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 1722413943 SXUVLMCTINQGDR-ROUUACIJSA-N 465.620 2.287 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4ccccc4n3)n2CCNC(=O)C(C)C)CC1 1722444564 BMIFJCJBXNTABS-UHFFFAOYSA-N 473.581 2.231 30 10 JEEE C#CCSCCn1c(N2CCN(Cc3cc(C)no3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1722464696 PIDIMTSQVBMMND-QHCPKHFHSA-N 474.631 2.304 30 10 JEEE C=C(Cl)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1722545488 GLDXDGAKGXFYNM-UHFFFAOYSA-N 493.008 2.370 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 1722725448 LWQBVELICCQOAQ-UHFFFAOYSA-N 488.658 2.359 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CC1CCCC1 1722727805 ONWYBTORIIDTJP-UHFFFAOYSA-N 470.599 2.419 30 10 JEEE C=CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1722734344 CADUTCPQXPEFCB-QGZVFWFLSA-N 486.598 2.354 30 10 JEEE CCN(CC)[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1)c1ccco1 1728373795 GJUGPMWKWSZUGY-FUHWJXTLSA-N 463.608 2.304 30 10 JEEE CCn1cc([C@@H]2CN(c3nnc(COc4ccc(C#N)cc4)n3CCC(=O)NC(C)C)CCO2)cn1 1728528671 CLZWLCYYNCGKCA-QFIPXVFZSA-N 492.584 2.438 30 10 JEEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2C[C@H](C)C[C@@H](C)C2)CC1=O 1730784485 AQZZBMVJXKPBRV-NHCUHLMSSA-N 479.629 2.480 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2ccccc2F)n1CCS(=O)(=O)N1CCSCC1 1740535285 OZCHMOABJUWORP-SJORKVTESA-N 481.619 2.394 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@H](CC)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1740619625 KOQZSAGRSZJKPP-OALUTQOASA-N 477.034 2.495 30 10 JEEE C#CCN(c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC(C)C)[C@@H]1CCS(=O)(=O)C1 1740623111 ONAJALOHTADCOO-GOSISDBHSA-N 482.610 2.348 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@H]2CCCCS2(=O)=O)CC1 1740691418 CGOYNEDJEWEUPX-KRWDZBQOSA-N 465.982 2.460 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CCN(C)C(=O)OC(C)(C)C)CC1 1740707082 NXOISKMWEUAPGK-UHFFFAOYSA-N 481.601 2.097 30 10 JEEE C=C(C)COCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@@H](C(=O)OC)C1 1740791947 DCCVHJVUPRATSR-QGZVFWFLSA-N 466.542 2.174 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCC[C@H](C(=O)NC)C1 1740956060 GAGNNXAAGDHVGY-SFHVURJKSA-N 478.553 2.382 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCC(c2ccnn2C)CC1 1740964411 ONABQBNZXCSVMG-UHFFFAOYSA-N 465.558 2.285 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCC(O)(C(F)(F)F)CC1 1740964869 WZLINCIBXSHYSQ-UHFFFAOYSA-N 453.465 2.361 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1740987232 CUFGSZKTYQACPR-DLBZAZTESA-N 462.576 2.373 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@H](C(F)(F)F)C1 1740992709 LZTVSVUHIWSLMO-INIZCTEOSA-N 462.469 2.376 30 10 JEEE CC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](OC)[C@H](OC)C1)N1CCCC1 1744165582 HODKEFQQRVQKHV-ILWGZMRPSA-N 454.575 2.453 30 10 JEEE CCN(CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(C#N)C1)CCC(F)(F)F 1746313102 FBIVKRYLGIUZET-CRAIPNDOSA-N 479.573 2.293 30 10 JEEE CN(C)C(=O)CCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC[C@](C)(C#N)C1 1747538116 GKNMXCMDAKMWDY-AREMUKBSSA-N 478.645 2.251 30 10 JEEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC(C)(F)F 1747730256 HINUEGMVJMRFTC-QGZVFWFLSA-N 468.530 2.164 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCO[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1748809957 XWSUEWJINUIUKQ-QFUCXCTJSA-N 453.568 2.259 30 10 JEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1Cc1ccc(C)nc1)[C@@H]1CCS(=O)(=O)C1 1748821046 LPVMHMWDWCYQEO-JOCHJYFZSA-N 479.606 2.450 30 10 JEEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC1CCS(=O)(=O)CC1 1748846171 DUABYEDAQMQUMJ-UHFFFAOYSA-N 489.642 2.290 30 10 JEEE C#CCSCCn1c(N(C)[C@H](C)CS(C)(=O)=O)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1749048629 SFGLFJRIUAVYCM-ZACQAIPSSA-N 485.676 2.285 30 10 JEEE COc1ncccc1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(NC(C)=O)CC1 1749142626 HRTHRMGKRWRZGB-UHFFFAOYSA-N 461.526 2.286 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ccc(F)c(F)c1 1749158757 LQMCIFWRAVPJDR-IBGZPJMESA-N 485.557 2.371 30 10 JEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 1749456990 CULGHGJGQDPRHK-OALUTQOASA-N 481.663 2.152 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCC(c2nc(-c3ccccn3)no2)CC1 1749735751 VYQDLNUOLABBRR-UHFFFAOYSA-N 457.560 2.270 30 10 JEEE CC(C)(C)C(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2cc(CO)nn2)C1 1750107869 CCMPTWXKQOEQSJ-HXUWFJFHSA-N 491.600 2.122 30 10 JEEE C[C@@H]1CN(CCCn2c(N3CCN(c4nccnc4C#N)C[C@H]3C)nnc2C(C)(C)C)CCCO1 1752402257 FCMPMQPVAWGHJM-WOJBJXKFSA-N 481.649 2.453 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1CCCN(C(C)=O)C1 1760100730 DOLVOCICAZHOEO-LPHOPBHVSA-N 471.631 2.263 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCCn1cc(CO)nn1 1760112952 OEQYZWZSCTWFSV-QGZVFWFLSA-N 472.594 2.025 30 10 JEEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1(COC)CCOCC1 1760170567 ICPVUQHGFGKRAP-UHFFFAOYSA-N 450.543 2.188 30 10 JEEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H](c1ccc(C)o1)N1CCOCC1 1760177949 SUTCDZZDRNVLQN-SFHVURJKSA-N 468.583 2.314 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccnc3)n2CC2CCN(C(=O)OC)CC2)n1 1760252219 LDQJPZUCYILZOK-UHFFFAOYSA-N 492.584 2.301 30 10 JEEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2Cc2ncnn2C(C)(C)C)CC1 1760263116 OLTUETGDOMPEOT-UHFFFAOYSA-N 462.602 2.222 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H](CC)OC)CC1 1760266593 FHRGDFDTXHINAJ-QGZVFWFLSA-N 477.407 2.437 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCNc2ccccn2)CC1 1760271044 JULAFGUHTDADBF-UHFFFAOYSA-N 475.601 2.003 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cnc(C)s1 1760315471 FSFSHFGSOUAHLG-QRTARXTBSA-N 454.622 2.271 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCNS(C)(=O)=O 1760340179 NPTDUUIROXHCBE-INIZCTEOSA-N 456.613 2.302 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](OC)c2ccccc2)CC1 1760402855 WUSLNQNBGAIRBH-LEWJYISDSA-N 475.615 2.401 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(Cn2cccn2)CC1 1760515720 QXMRYTGYJOJURE-UHFFFAOYSA-N 473.379 2.451 30 10 JEEE Cc1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(S(=O)(=O)CCOC(C)C)CC2)no1 1761686872 FUNWKELGUDPYEF-UHFFFAOYSA-N 499.597 2.038 30 10 JEEE C[C@H]1CCCN(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCC(S(C)(=O)=O)CC2)C1 1762920256 FQKYQABERKEDOG-IBGZPJMESA-N 486.642 2.474 30 10 JEEE CCNC(=O)C1(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCO[C@@H](C#N)C2)CCC1 1765608990 AVIOUBGVRZLLBV-AWEZNQCLSA-N 462.352 2.071 30 10 JEEE COc1ccc(N2CCCC2=O)cc1S(=O)(=O)N1CCN(Cc2cccc(C#N)c2)CC1 1858634041 YZPBGCZLGPUIEW-UHFFFAOYSA-N 454.552 2.200 30 10 JEEE COc1ccc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2CCCNC=O)cc1OC 1862745685 PADPCVPLQPIOIB-HXUWFJFHSA-N 469.450 2.326 30 10 JEEE COc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(CCN3CCOCC3)C2=O)cc1OC 1863159902 HLKFXVZIORANCR-UHFFFAOYSA-N 462.506 2.100 30 10 JEEE C=CCn1cc(OCCN2C(=O)c3ccccc3C2=O)c(=O)cc1CN1CCC2(CC1)OCCO2 1870378474 ZADHWEPZDLJMSH-UHFFFAOYSA-N 479.533 2.048 30 10 JEEE Cn1c(C(=O)O)c(/C=N/n2c(S)nnc(Cc3ccccc3[N+](=O)[O-])c2=O)c2ccccc21 1873495645 XIVUJTWPLPXXJP-SSDVNMTOSA-N 464.463 2.498 30 10 JEEE COc1cccc(/C=N/n2c(CNC(C)=O)nnc2SCC(=O)NCc2ccccc2)c1 1874436226 RHEWAIQVGBODGM-DHRITJCHSA-N 452.540 2.214 30 10 JEEE CN1CCN(CC#CCOC2CCN(C(=O)CCCCCN3C(=O)c4ccccc4C3=O)CC2)CC1 1890442808 RWAAHWPXGOZUGS-UHFFFAOYSA-N 494.636 2.101 30 10 JEEE CC(C)N1C(=O)CS[C@H](C(=O)N2CCC[C@@H](NS(=O)(=O)C3CC3)C2)[C@H]1c1ccc(C#N)cc1 1891448334 QLDQCDMGTFLRLF-QIJUGHKUSA-N 490.651 2.025 30 10 JEEE O=C(NCC#CCN1CCCCCC1)[C@H]1CCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 1891453911 YATIRXSFPJTKPC-OAQYLSRUSA-N 462.572 2.134 30 10 JEEE COc1ccc(OC)c(-c2ccc(=O)n(CC(=O)NCC#CCN(C)Cc3ccccc3)n2)c1 1891774664 VBGYXEJOJLYIIR-UHFFFAOYSA-N 460.534 2.179 30 10 JEEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)N2CCC[C@@H](C#N)C2)CCN1C(=O)OC(C)(C)C 2054400520 FQGKOWJFSKYNEB-INIZCTEOSA-N 473.596 2.172 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](C(=O)NCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C[C@@H](O)C1 2185161556 IECAXXIOYUGEQO-PKOBYXMFSA-N 460.380 2.220 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@H](CNC(=O)c2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2255803292 MDMFYYQMWKBLAD-CQSZACIVSA-N 452.382 2.413 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)sc1CNC(=O)[C@@H](O)[C@@H](C)NC(=O)OC(C)(C)C 2256625590 YSRXORRJACUXCH-CJNGLKHVSA-N 454.398 2.246 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)sc1CNC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)O 2256626147 GOCMKQKKXMDMDP-CJNGLKHVSA-N 454.398 2.246 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H](C)C2(O)CN(C(=O)OC(C)(C)C)C2)s1 2267109275 NJWUQYIDYIPBLR-CQSZACIVSA-N 466.409 2.456 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H]1C[C@@H]1CNC(=O)OC(C)(C)C 2267703357 VECXNEXTJPBVCM-NVXWUHKLSA-N 466.409 2.486 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@](C)(NS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267704094 HYJXJWJRNDXGSQ-OAQYLSRUSA-N 467.397 2.059 30 10 JEEE Cc1cc(CNC(=O)[C@]2(NC(=O)OC(C)(C)C)C[C@@H](O)C2)sc1B1OC(C)(C)C(C)(C)O1 2268714548 AUZXPCDWOGURGQ-XLOAEROZSA-N 466.409 2.390 30 10 JEEE CC(C)(C)OC(=O)NC1(C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)c(F)c2)CC(O)C1 2268718262 QASOPBRUDYTXTE-UHFFFAOYSA-N 450.316 2.482 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)C1 2281983007 XJZMVRDRIVLUFB-HOTGVXAUSA-N 462.400 2.485 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H](CNC(=O)OC(C)(C)C)C[C@H]1C 2282000627 QNHASEMPCSWDSA-GDBMZVCRSA-N 462.400 2.403 30 10 JEEE C[C@@H](NC(=O)OC(C)(C)C)C1CCN(C(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CC1 2282048684 OYXLLBDJOUEPMC-OAHLLOKOSA-N 462.400 2.485 30 10 JEEE CO[C@H]1C[C@@H](CNC(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)N(C(=O)OC(C)(C)C)C1 2282174795 SDZZGSPCJHDHHJ-ROUUACIJSA-N 461.368 2.135 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CN(C(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)[C@@]2(CCOC2)C1 2282629309 UHLLMOMHZVUMFY-PEBXRYMYSA-N 479.408 2.341 30 10 JEEE CC(C)(C)OC(=O)NC1(CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)CCOCC1 2282678855 RXGWNJBZENHBIH-UHFFFAOYSA-N 461.368 2.185 30 10 JEEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@@H](CNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)C2 2283071380 DKPFBNABZWWGKO-PMPSAXMXSA-N 458.368 2.294 30 10 JEEE COc1ccc(OC)c([C@H]2C(=C(O)c3ccc([N+](=O)[O-])cc3)C(=O)C(=O)N2CCOCCO)c1 2296166953 JCRVIHDCGXIRPK-FQEVSTJZSA-N 472.450 2.043 30 10 JEEE CN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1F 2320555264 LSMLZXDZSRVVNL-JSGCOSHPSA-N 455.361 2.472 30 10 JEEE O=C(O)Cn1cc(C=Nn2c(S)nnc(Cc3ccccc3[N+](=O)[O-])c2=O)c2ccccc21 2321660697 FKJSYXDTHHHYGP-UHFFFAOYSA-N 464.463 2.348 30 10 JEEE COc1cc(C=Nn2c(SCCCO)nnc2[C@@H]2CCCO2)ccc1OCCN1CCOCC1 2330993322 VRFUXXIEZCTJQY-FQEVSTJZSA-N 491.614 2.206 30 10 JEEE CO[C@@H]1C[C@H](CN=c2cc(B3OC(C)(C)C(C)(C)O3)c(F)c[nH]2)N(C(=O)OC(C)(C)C)C1 2345716283 XNFGWOJLCULSKZ-HUUCEWRRSA-N 451.348 2.378 30 10 JEEE Cc1scc(C(=O)N=c2nc(CNC(=O)OC(C)(C)C)[nH]n2C)c1B1OC(C)(C)C(C)(C)O1 2369531264 WKGCNVUUIXALJK-UHFFFAOYSA-N 477.396 2.183 30 10 JEEE COc1cc(/C=N/Nc2nnc(SCC(=O)OCc3ccccc3)n2N)cc(OC)c1OC 20919710 YCHMFBZLCLSKAI-FOKLQQMPSA-N 472.527 2.299 30 10 JEEE C=CCC[C@@H](O)CN1CCN(Cc2nc(C(=O)N3CCN(c4cccc(OC)c4)CC3)co2)CC1 34677752 KWBFEBCQKAFANW-JOCHJYFZSA-N 483.613 2.090 30 10 JEEE COc1ccc([C@@H]2c3c(nc(NCc4ccc5c(c4)OCCO5)[nH]c3=O)NC(=O)[C@@H]2C#N)c(OC)c1 72472398 KFLYIOLSKAJSDN-UZLBHIALSA-N 489.488 2.394 30 10 JEEE COc1cc(-c2cc(C(=O)N3CC[C@@H](Oc4nccnc4C#N)C3)[nH]n2)cc(OC)c1OC 219950698 LTCAPCYHGSUYDO-CQSZACIVSA-N 450.455 2.058 30 10 JEEE CCOC(=O)c1c(NC(=O)C[S@](=O)CC(=O)N(C)CCC#N)sc2c1CC[C@@H](C)C2 586294737 PVXYXHAMBWCDCI-OSXTUODASA-N 453.586 2.109 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@H](c1ccc(F)cc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1286387684 UCRZPSHFMQUAKJ-IFMALSPDSA-N 484.601 2.352 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@](C)(O)c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1286387942 XAVVCFKRXWAOBC-CVDCTZTESA-N 469.542 2.014 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1CCC(=O)NCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1286396456 UWNCMEUTAFKEEX-HXUWFJFHSA-N 471.627 2.200 30 10 JEEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(S(C)(=O)=O)CCCC1 1286421275 CSVBCKNRNINLBI-QHCPKHFHSA-N 462.616 2.139 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCCN(C(C)=O)C1 1286452410 NQILQXKFFIGEKO-HXUWFJFHSA-N 454.550 2.454 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2cc3c(cc2OC)C[C@@H](C)O3)CC1 1286469722 KBMZJXCDHDBCIY-GOSISDBHSA-N 480.613 2.332 30 10 JEEE C=C(C)COCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(CO)CC1 1286608618 SKRVYRCARVJUFV-IBGZPJMESA-N 465.595 2.388 30 10 JEEE C=CC1CCN(c2nnc(CN3CCCC3=O)n2CC[C@H](N2CCOCC2)C(F)(F)F)CC1 1286665101 RTLOFDFEBDKZTL-SFHVURJKSA-N 470.540 2.456 30 10 JEEE C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1286769708 MWLRKBRVEGJCRY-HNNXBMFYSA-N 462.396 2.355 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC(NC(=O)NC2CCCCC2)CC1 1286785708 QMVOQICFGKYHFS-UHFFFAOYSA-N 466.590 2.243 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 1286819682 SCEKMKHWHMSWMF-UHFFFAOYSA-N 475.590 2.177 30 10 JEEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCOCC2(C)C)C[C@@H](C)O1 1291278743 BGTDUQUCDYVXQO-KDURUIRLSA-N 454.575 2.453 30 10 JEEE CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cc1 1292595292 BAIOJOFCAGYKME-UHFFFAOYSA-N 454.552 2.276 30 10 JEEE C#CCNC(=O)CN1CCCN(C(=O)c2[nH]c3ccc(Br)cc3c2Cl)CC1 1292889655 JJPANMQJVVXRAT-UHFFFAOYSA-N 451.752 2.481 30 10 JEEE C#CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1300409693 JPQCDCUEEXVCKC-UHFFFAOYSA-N 499.660 2.207 30 10 JEEE C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@H]1C(F)(F)C12CCC2)[C@@H]1CCS(=O)(=O)C1 1300481374 ABOXJVQNVQGFCN-GVDBMIGSSA-N 472.558 2.064 30 10 JEEE C#CCN(c1nnc(COc2ccccc2OC)n1CC1(O)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1300505107 XRMWGQLLLKDEKL-LJQANCHMSA-N 488.610 2.188 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C 1300506789 YZHDGIOYORIXNE-SFHVURJKSA-N 463.542 2.398 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCC(C)CC1 1300537725 JMVCNQKBTDWTBK-OAQYLSRUSA-N 470.618 2.391 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2Cc2ccc(C)n(C)c2=O)CC1 1300691445 ZAJBRHSKQXJTMF-UHFFFAOYSA-N 476.581 2.163 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(OC)cc2)nnc1N1CCS(=O)(=O)CC1 1300896926 LZCUVMSEQABMBS-UWJYYQICSA-N 462.572 2.082 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCC(O)CC1 1301339251 KICCWXYCBMZOFP-QFIPXVFZSA-N 498.653 2.091 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1[C@H](C)CCN1C(=O)OC(C)(C)C 1301424832 OVGRZVPMXPTLKP-QRVBRYPASA-N 497.662 2.465 30 10 JEEE C=CCS(=O)(=O)CCn1c(CSc2ccc(C)cc2)nnc1N1CCC[C@H](C(N)=O)C1 1301593665 SJQADQMPBYPKRK-KRWDZBQOSA-N 463.629 2.181 30 10 JEEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 1301595172 OYKKWUCNJKWPNG-ROUUACIJSA-N 498.719 2.282 30 10 JEEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cccc(OCC)n2)CC1 1301609203 FJMWNVAZNRAFHU-KRWDZBQOSA-N 457.604 2.269 30 10 JEEE COCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1301725339 DKFUQTIIPICABI-HXUWFJFHSA-N 450.547 2.470 30 10 JEEE CS(=O)(=O)[C@H]1CCCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCC2)C1 1302433925 FMRPPDRKBHOXIG-IBGZPJMESA-N 459.572 2.047 30 10 JEEE CCc1nc(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C(=O)NC)CC2)cs1 1306022798 BRVTTYKDSSYICT-UHFFFAOYSA-N 480.598 2.452 30 10 JEEE CCN(C)C(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1313546712 ATKFLAARVHJCII-UHFFFAOYSA-N 460.542 2.025 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H]1CN(CC(C)C)CCO1 1358885379 JAAMMIWKBSGKLC-UXHICEINSA-N 477.613 2.490 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2C[C@H]2CCCN(C(C)=O)C2)c1 1358903518 ZYFZJNSFXZGSPL-FQEVSTJZSA-N 452.559 2.129 30 10 JEEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1358904041 RYPXUWBUFKWBHO-UHFFFAOYSA-N 476.541 2.424 30 10 JEEE C#CCN(c1nnc(C2CCCC2)n1CCC(=O)N1CCCCCC1)[C@H]1CCS(=O)(=O)C1 1358961832 FXBDXHCZWGGLJX-FQEVSTJZSA-N 461.632 2.355 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1cccc(C)c1)N1CCOCC1 1358994213 HPGLSSGHTPWNPQ-RPWUZVMVSA-N 495.649 2.025 30 10 JEEE C#CCN1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCSC(C)C)CC1 1359034285 KMHJRZMBUQKTMF-UHFFFAOYSA-N 451.600 2.089 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC2(O)CCCCCC2)CC1 1359042109 RSAQYMOXPMILKG-SANMLTNESA-N 487.645 2.370 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)OCCOC)n1Cc1cccnc1N1CCOCC1 1359064914 CPZLYTFDQQXIHG-NTKDMRAZSA-N 454.575 2.274 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1359296872 XJQZIWPBBKUFAH-KRWDZBQOSA-N 481.557 2.415 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccnc(C)n2)CC1 1359309321 OSTJNUAUZWHQHM-UHFFFAOYSA-N 476.585 2.454 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@@H](C)c1cccc(O)c1 1359326782 JQAKYVUWAFLNII-INIZCTEOSA-N 470.555 2.429 30 10 JEEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1359341249 QFYBIZWVMBBQOG-UHFFFAOYSA-N 457.526 2.493 30 10 JEEE CC(C)(C)S(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC2(CC1)CNC(=O)C2 1359586221 DACHGTCSSFLYKK-UHFFFAOYSA-N 470.599 2.137 30 10 JEEE CCN(CC)C(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCSCC2)CC1 1501789883 GVMSRAKLZHCHPU-UHFFFAOYSA-N 482.658 2.449 30 10 JEEE COc1ccc(CCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CN(CC(C)C)CCO2)cc1 1504230115 BRMTYTWDXLZKNP-PKTZIBPZSA-N 468.602 2.157 30 10 JEEE C#CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1CCC(=O)N1CCOCC1 1507606581 QVWNHBNTVIWPGO-UHFFFAOYSA-N 462.348 2.035 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1Cc1cc(C(C)(C)C)no1)[C@H]1CCS(=O)(=O)C1 1507622381 IHLBBVMBFVWHIC-KRWDZBQOSA-N 490.630 2.157 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@]1(N2CCOCC2)CCSC1 1507705655 FXPIPBYBAOSGKI-HSZRJFAPSA-N 486.598 2.147 30 10 JEEE C=C(Br)Cn1c(N2CCN(CCOC)[C@@H](C)C2)nnc1[C@]1(OC(C)C)CCOC1 1507791312 KKUKFSPIOWQYFP-PXNSSMCTSA-N 472.428 2.384 30 10 JEEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1507943872 MOWKBIBCJKHHCT-MRXNPFEDSA-N 461.567 2.192 30 10 JEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 1507968891 XCZUGINTRNSTMV-DNVCBOLYSA-N 480.553 2.303 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CC=CCC1 1508007949 JRIACCCCYNCSQY-FQEVSTJZSA-N 492.671 2.127 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)Cc1ccoc1C 1508071229 CENWGMJBBCLIFX-UHFFFAOYSA-N 472.571 2.035 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1508133565 JYZYKJVFBICMBU-IEBWSBKVSA-N 461.544 2.459 30 10 JEEE CNC(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H](c1ccc(C)o1)N1CCOCC1 1517575522 AOGQXOBYINSOSS-OAQYLSRUSA-N 477.569 2.364 30 10 JEEE COCC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCO[C@H](C)C2)CC1 1518656900 DIDFTHIJKBBXIL-MJGOQNOKSA-N 452.559 2.363 30 10 JEEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)Cc1cnn(C)c1 1539051378 ABTKGDXETWSGKV-UHFFFAOYSA-N 455.588 2.369 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@@H]1CCCN(C(C)=O)C1)[C@H]1CCS(=O)(=O)C1 1539210936 IHPLYKIBALWLBK-RTWAWAEBSA-N 469.611 2.139 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@](C)(O)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 1539225805 PWQQVUZQPZXKLN-XUZZJYLKSA-N 471.627 2.222 30 10 JEEE C#CCN(c1nnc(COc2ccccc2OC)n1CC[C@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1539230854 MAYWZNYESCKQLA-WOJBJXKFSA-N 488.610 2.452 30 10 JEEE C#CCN(CC)c1nnc(-c2ccc(F)cc2Br)n1CC(=O)N1CCOCC1 1539352367 WNODWUILQIVNRT-UHFFFAOYSA-N 450.312 2.165 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(OC)c(OC)c2)n1CC1CCN(C(C)=O)CC1 1539406119 UNGCFIFWVDKSDE-UHFFFAOYSA-N 455.559 2.307 30 10 JEEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2CCCn2cnnn2)CC1 1539460141 XXHAPELQFICBFB-UHFFFAOYSA-N 463.590 2.121 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCCc2cnn(C)n2)CC1 1539482975 QLDBRZHNFBLTPR-UHFFFAOYSA-N 481.004 2.249 30 10 JEEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1539511362 VZPWJDBMQNKFRA-GOSISDBHSA-N 464.599 2.413 30 10 JEEE C#CCSCCn1c(N2CCNC(=O)[C@@H]2CC)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1539530615 KCLMKKPQXDOIJT-BBWFWOEESA-N 462.620 2.130 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)OCCOC)n1Cc1ccc(N2CCOCC2)nc1 1539538628 KFVYYZLHVOZOIF-NTKDMRAZSA-N 454.575 2.274 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1539612785 PUBJLGGBQHXYCD-WOJBJXKFSA-N 473.622 2.079 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1539640833 BMNOHWAMJWKQDT-WPYKKVEZSA-N 469.586 2.406 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2ccc(Cl)nc2C1 1539751474 OBGJVNHYKCSUMB-INIZCTEOSA-N 451.980 2.384 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1540864936 PIXNIACBOXSCIS-AWEZNQCLSA-N 467.452 2.228 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N(CC)Cc1nc(O)c2sccc2n1 1540867699 DTPBNDFRRXMJJM-UHFFFAOYSA-N 452.544 2.323 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCO[C@@H](c2nccs2)C1 1540875080 AUNCTCNOWHLIEE-QGZVFWFLSA-N 458.519 2.333 30 10 JEEE C=CCOc1ccc(Cn2c([C@H]3CCCO3)nnc2N2CCN(CC(=O)NC(C)C)CC2)cc1 1540879021 PXQIAPDDLFYMGB-JOCHJYFZSA-N 468.602 2.389 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CC2(CN3CCOCC3)CCCCC2)C1 1540881178 AKNHSWBPJXIFEW-NRFANRHFSA-N 474.650 2.480 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCN(CC(F)(F)F)C2)C1 1540881527 LQTDYRNBTSBSOT-IAGOWNOFSA-N 456.513 2.180 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1540907300 RMTRVLMECYYUPB-SFHVURJKSA-N 489.642 2.422 30 10 JEEE CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C(C)C)N2CCCC2)CCO1 1541072389 HGMNGHHVYHITKD-PKTZIBPZSA-N 465.602 2.278 30 10 JEEE COCCN(CCC#N)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@]1(O)CCC[C@H]1C 1555557970 IFPHXFLFMPEOTM-DVECYGJZSA-N 468.606 2.370 30 10 JEEE C#CCN(CC(=O)N(C)[C@]1(c2ccccc2Cl)CCCCC1=O)[C@H]1CCS(=O)(=O)C1 1559632920 RNQANYDREUNIAQ-JTSKRJEESA-N 450.988 2.259 30 10 JEEE C#CC[C@@H](CCOC)NC(=O)N(CC)[C@@H](C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1565156388 IQGDLBUIBWTYKX-OALUTQOASA-N 452.596 2.304 30 10 JEEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N(C)CC(=O)N1CCC(C(=O)OCC)CC1 1584391337 PPVKMLPKMVBNAV-UHFFFAOYSA-N 454.527 2.311 30 10 JEEE C#CCN(c1nnc(C(C)C)n1CCc1nccc(C(F)(F)F)n1)[C@@H]1CCS(=O)(=O)C1 1588029300 FWELETOBKFMTML-CQSZACIVSA-N 456.494 2.080 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CCCNC(=O)C(C)C)[C@H]1CCS(=O)(=O)C1 1588040457 NIGGSKNUIPUYRV-NRFANRHFSA-N 471.627 2.297 30 10 JEEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1594669484 YCEDOMCWHZATOI-OYRHEFFESA-N 471.650 2.107 30 10 JEEE C=CCCOCCn1c(N2CC[C@](C)(C(N)=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1594829321 HAXLJRXYWVQVDK-MFEFFIJZSA-N 462.595 2.343 30 10 JEEE C=CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1595366912 UITVIPZWBPNZLE-NRFANRHFSA-N 470.618 2.380 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1cccc(C#N)c1 1595823714 RUXHZCZENUFHKH-UHFFFAOYSA-N 453.572 2.249 30 10 JEEE CC(C)Cc1nnc(N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)n1CC(=O)NCC(F)F 1603668103 ACQOPPWIMKDIJQ-UHFFFAOYSA-N 488.499 2.304 30 10 JEEE C=CCn1c(S)nc2cc(C(=O)NC[C@H](Oc3ccc(F)cc3)C(=O)OC)ccc2c1=O 1611112396 SSXQFAXDADDQCM-SFHVURJKSA-N 457.483 2.361 30 10 JEEE CC(=O)[C@@H]1CC(C(=O)Nn2c(C)c(Br)c(C)c(C#N)c2=O)=NN1c1ccccc1 1611230516 CESZFANSPUTJPF-KRWDZBQOSA-N 456.300 2.393 30 10 JEEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(C(N)=O)CCOCC2)C[C@@H](C(F)(F)F)O1 1612908781 AYKJVRQNUVRVIY-PBHICJAKSA-N 478.475 2.255 30 10 JEEE CC[C@@H](C)CN(CC)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1613397685 ATXGKHBSORPALQ-VGOFRKELSA-N 461.588 2.151 30 10 JEEE CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](CC(C)C)N(C)C)CC1 1615937625 BEFGCBGLZYPJOC-JOCHJYFZSA-N 466.634 2.051 30 10 JEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@](C)(CO)c1cccc(C(F)(F)F)c1 1641775320 HJHSJWFRYJABNS-DJJJIMSYSA-N 455.458 2.268 30 10 JEEE C=CC[C@@]1(C(=O)N[C@@H]2CCCN(CCN3CCOCC3)C2)CCCN1C(=O)OC(C)(C)C 1650978252 VBFOBBYHQAHFAF-YKSBVNFPSA-N 450.624 2.245 30 10 JEEE C#CCOCCNC(=O)N1CCN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)CC1 1685864721 HSAGLZIYDOUKAP-UHFFFAOYSA-N 454.568 2.136 30 10 JEEE C#CCN(c1nnc(-c2c[nH]c3ccccc23)n1CCC(=O)N[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1689988403 OEWQIFQECNHFCR-ROUUACIJSA-N 482.610 2.358 30 10 JEEE C#CCN(CC#C)c1nnc(COc2cc(C)cc(C)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1690025354 NTZYGMDQKJZADO-VHXPQNKSSA-N 458.522 2.073 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCN1CCN(C)C(C)(C)C1 1690035677 GZAAZQTVKYUPTJ-UHFFFAOYSA-N 494.640 2.460 30 10 JEEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1(S(C)(=O)=O)CCCC1 1690072933 ZKGVNRYNQQWRKH-UHFFFAOYSA-N 478.644 2.055 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccn3)n2CC2CCN(C(C)=O)CC2)n1 1690109255 LZECEMGKEGOZJG-UHFFFAOYSA-N 476.585 2.081 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(F)ccc3Br)n2CCN(C)CCOC)CC1 1690114837 IYIHLKGINKNJEY-UHFFFAOYSA-N 479.398 2.180 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2CCSCCCO)CC1 1690122319 NMHYOKJWQVFSFA-UHFFFAOYSA-N 452.584 2.471 30 10 JEEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN2CCCC[C@H]2C1 1690159421 AFCQVXPQSNPQJK-FQEVSTJZSA-N 488.683 2.236 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(S(=O)(=O)c2ccccc2)CC1 1690309500 BMSQTNWABPQPAB-FQEVSTJZSA-N 473.599 2.265 30 10 JEEE C=C(C)COCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)Cc1cnn(C)c1 1690311612 PHRPFLSOJDESJT-UHFFFAOYSA-N 451.579 2.415 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN2CCCC[C@H]2C1 1690717605 KTPSLSLUYMOJAU-IBGZPJMESA-N 475.615 2.238 30 10 JEEE CCCNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1695424567 DTGPRYSPGUUTAJ-OAQYLSRUSA-N 465.602 2.282 30 10 JEEE CCN(CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1)CCC(F)(F)F 1695747988 DXTBNUFHYYZGRP-HXUWFJFHSA-N 493.534 2.432 30 10 JEEE N#Cc1ccc(OCc2nnc(N3CCC(CCC(N)=O)CC3)n2CCC2(O)CCOCC2)cc1 1698488598 GLWXMAABSDVRGL-UHFFFAOYSA-N 482.585 2.142 30 10 JEEE N#CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cccnc2OCC(F)F)CC1 1698489972 FWULMYUITZXZBS-MRXNPFEDSA-N 466.514 2.007 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C)CC1 1705620405 SPPKMGRSXYNUPG-IBGZPJMESA-N 461.563 2.190 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CC[C@@H]2CCO[C@@H](C)C2)CC1 1705650279 OBSZRVZQODUGNC-VQTJNVASSA-N 450.587 2.435 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@H](C(=O)NC)C1 1705700973 AXQCZCSZHPWMTP-ZRCAFCQKSA-N 461.513 2.080 30 10 JEEE C=CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCN(CC(=O)NCC)CC1 1705812797 MFPXOBDKJUSIKP-UHFFFAOYSA-N 464.412 2.270 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1705903151 NCLYOTLYHBHDRM-DNVCBOLYSA-N 462.957 2.197 30 10 JEEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCCN(C(=O)CCc2ccccc2)CC1 1705905609 AWRZDFBEHBBZQP-UHFFFAOYSA-N 450.587 2.204 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1705932549 GJLHGBMRHHKWDG-WZONZLPQSA-N 471.583 2.192 30 10 JEEE CC(=O)NC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)c2c(C)noc2C)CCO1 1706054865 HWFIEFPCVSZYAP-OPAMFIHVSA-N 493.568 2.479 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](C#N)C1 1706159029 BVPRENDURGMCCZ-SJORKVTESA-N 482.545 2.054 30 10 JEEE CCc1nc(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCO[C@H](CNC(C)=O)C2)cs1 1708993091 FIMQZRCNPYWHQP-OAQYLSRUSA-N 495.609 2.332 30 10 JEEE CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1CCCc1nc(C)no1 1710857532 DLFIEPKYRKWQTE-OAHLLOKOSA-N 457.560 2.400 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CN(CC(C)C)CCO1 1722291426 QDMWCZZFQGAEOG-HBMCJLEFSA-N 490.649 2.401 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCS(=O)(=O)C(C)(C)C 1722296487 QOAHNXUJNPKJTA-QGZVFWFLSA-N 459.620 2.123 30 10 JEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1ccc(N(C)C)nc1 1722343260 GCWYXOAZHMDSLR-UHFFFAOYSA-N 452.588 2.125 30 10 JEEE C#CCN(c1nnc(-c2cccc(Br)c2)n1CCC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1722364224 JYKDCZDFMPUCCW-KRWDZBQOSA-N 481.416 2.495 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc2ccccc2s1 1722398285 ZDBSCHQCJQWHEE-HXUWFJFHSA-N 483.619 2.337 30 10 JEEE C#CCN(CCOC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C 1722422406 QTMNMXYWTAVJOA-YADARESESA-N 477.606 2.416 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccn2C)nnc1N1CCC(CNS(C)(=O)=O)CC1 1722509841 ZDWHSYAVHZEXLV-QUCCMNQESA-N 462.620 2.030 30 10 JEEE C=C(C)Cn1c(Cn2nc(C)cc2C)nnc1N(C)CCNS(=O)(=O)c1ccc(C)cc1 1722524953 AVOQNCVXXJFRQS-UHFFFAOYSA-N 457.604 2.439 30 10 JEEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1722542473 BMLPWGYRWDWTSC-JTQLQIEISA-N 465.889 2.012 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1722581103 APVXOZNKAQBUJO-SJLPKXTDSA-N 465.624 2.285 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2Cc2nnn(C)n2)C1 1722719202 YJZBAFRNIVDVTG-OAHLLOKOSA-N 459.352 2.369 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2c(C)cccc2C)C1 1722719579 WOJWVZXSCAVGTI-IFMALSPDSA-N 489.642 2.252 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C(F)(F)F)c1 1740550928 JXFNTAOBGDWWKT-WMLDXEAASA-N 471.505 2.136 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1C[C@H](OC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1740619699 QVMJUVRTHKFPAS-AEFFLSMTSA-N 498.447 2.344 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H](c1cccc(F)c1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1740625566 GRSRRRSRBWCKKU-FCEUIQTBSA-N 489.617 2.241 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(Br)c2)n1Cc1cnnn1C 1740650830 OZVXYKSHAYCBDQ-UHFFFAOYSA-N 454.332 2.356 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1c(C)nn(C)c1C 1740652675 JKCCEYXPWJTOPS-UHFFFAOYSA-N 454.538 2.054 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2Cc2conc2COC)CC1 1740690971 RHYGEOFLYLNSKV-QGZVFWFLSA-N 454.506 2.495 30 10 JEEE C#CCSCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1740721602 NXMXQTYCQGKPDA-IBGZPJMESA-N 494.625 2.372 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC[C@@H](S(C)(=O)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1740767461 OYHQPMXFAUZVRO-ISHFTEKXSA-N 482.647 2.313 30 10 JEEE C=C(C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC(OCC(N)=O)CC1 1740781340 CJYJQLIWXYIFSK-QGZVFWFLSA-N 462.595 2.439 30 10 JEEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCC(=O)NC(C)(C)C 1740940546 KAQXQXNUIPIRAU-UHFFFAOYSA-N 467.574 2.136 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1740963994 DQAVRXBVJWHKLJ-MHECFPHRSA-N 455.559 2.106 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N(C)Cc1nc(C(F)(F)F)cs1 1740992852 UVUPJBMEEBVDGV-LBPRGKRZSA-N 465.523 2.495 30 10 JEEE CC[C@@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCNC(=O)c1ccco1 1743753130 IBISNCVHZKWIQH-SJORKVTESA-N 463.546 2.191 30 10 JEEE CNC(=O)[C@@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCCC2)C1 1748142909 ADFIKBNADQFSRB-DEOSSOPVSA-N 451.575 2.177 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 1748671179 GRGBQLZSFIZXKD-JONQDZQNSA-N 463.526 2.363 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CC(=O)NCc1ccco1)[C@@H]1CCS(=O)(=O)C1 1748810025 ZCXFYXZCWBAGLT-GOSISDBHSA-N 487.969 2.135 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CCCN1CCCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1748819925 URXGFPWKWOZLMV-UNMCSNQZSA-N 470.643 2.155 30 10 JEEE C#CCN(CCOC)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1N(C)CCCC1(C)C 1748968148 BSAIJCJSQPPHSG-LJQANCHMSA-N 458.632 2.476 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCc2nccc(C(F)(F)F)n2)CC1 1748977972 GRDNABCTYPMESA-QFIPXVFZSA-N 493.534 2.125 30 10 JEEE C#CCSCCn1c(CCc2ccccc2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1749043589 JKCRETZPFYNWMW-XUZZJYLKSA-N 480.682 2.419 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1749133363 KWASZUIHOWEBRU-URVUXULASA-N 474.631 2.011 30 10 JEEE C=C(C)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC[C@@H](NC(C)=O)C1 1749200654 KHBYYDAZAULYNG-JOCHJYFZSA-N 451.619 2.324 30 10 JEEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](C(CC)CC)N2CCOCC2)CC1 1749304026 SOURFMHPMPZXPI-LEWJYISDSA-N 465.664 2.474 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1749655005 AHZTWCXYHFLODD-UHFFFAOYSA-N 481.557 2.384 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1749670982 XDXUAOPFGYZCDC-KRWDZBQOSA-N 479.459 2.441 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 1749676467 RAQFJBMROHSIBS-UHFFFAOYSA-N 494.987 2.470 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)Nc2ccccn2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1749687202 NWNFMPWOXPUWBP-KRWDZBQOSA-N 461.526 2.205 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1749724922 MERZUSBKAKGAEI-JZXOWHBKSA-N 493.561 2.093 30 10 JEEE N#Cc1ccc(-c2nnc(N3CCC[C@@H](S(=O)(=O)N4CCOCC4)C3)n2CC(F)(F)F)cc1 1750382146 BLLOQIAQBCSJMS-QGZVFWFLSA-N 484.504 2.010 30 10 JEEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC[C@@H](C)c1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1760189183 SBQKWPKAMYAVRL-QFUCXCTJSA-N 485.610 2.058 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@H]1CCCN(C(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1760189761 LQDKZUVJHWRFAG-RBBKRZOGSA-N 470.643 2.011 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C(CC)CC)no1 1760234349 VSZHZMIWHCZZOP-LJQANCHMSA-N 464.592 2.010 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCc2ccc(F)c(F)c2)CC1 1760251662 FVCWNCBRRPKIDJ-UHFFFAOYSA-N 451.481 2.202 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2(OCC)CCCC2)CC1 1760271128 MYHAOMPXGGPPRF-UHFFFAOYSA-N 467.618 2.455 30 10 JEEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC2(CCCCC2)C1 1760357781 NISJDVZDPSAFTJ-IBGZPJMESA-N 467.636 2.364 30 10 JEEE CO[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1)C(C)C 1768131627 GCKIGGILHKGMDW-YADHBBJMSA-N 482.585 2.227 30 10 JEEE COc1ccccc1-c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@H](C)N(C)C 1770407375 BJWCLWTXGOVQJZ-ROUUACIJSA-N 461.574 2.281 30 10 JEEE N#Cc1ccccc1S(=O)(=O)Nc1ccc(NC(=O)[C@H]2CCCN2C(=O)C(F)(F)F)cn1 1858284567 VJJNXGPNCHBSLF-CQSZACIVSA-N 467.429 2.246 30 10 JEEE COc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCNC=O)c1 1862606518 UGGYPKAFXZMOQC-NRFANRHFSA-N 452.463 2.181 30 10 JEEE COCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1862742130 HVCBGZFCDZHYCB-IBGZPJMESA-N 485.405 2.499 30 10 JEEE C=CCn1cc(OCC(=O)Nc2cc(C)ccc2C)c(=O)cc1CN1CCC(C(N)=O)CC1 1870760953 MNFWWKPRIRLTHS-UHFFFAOYSA-N 452.555 2.366 30 10 JEEE CC1(C)OB(C2[C@@H]3CN(S(=O)(=O)CCCN4C(=O)c5ccccc5C4=O)C[C@@H]23)OC1(C)C 1978272346 JCAKXSFSJZPXIQ-IAGOWNOFSA-N 460.361 2.027 30 10 JEEE CCCn1c2c(c(=O)n(C)c1=O)C(=O)C(=Cc1cc(OC)c(OC)cc1Br)N2 2040454251 MRLIOFMXBSLWHX-UHFFFAOYSA-N 450.289 2.386 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](C(=O)NCCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)C(C)(C)O 2188010834 RCRNGQBQUQEGSV-SFHVURJKSA-N 462.396 2.309 30 10 JEEE C[C@@H](CNC(=O)C#CC(C)(C)NC(=O)OC(C)(C)C)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 2222518466 CCVAVFVQZPZAOH-HJPURHCSSA-N 453.580 2.417 30 10 JEEE CCn1cc(C(=O)NC2CC(NC(=O)OCc3ccccc3)C2)nc1B1OC(C)(C)C(C)(C)O1 2255659380 RHFZVACRRKPQRN-UHFFFAOYSA-N 468.363 2.389 30 10 JEEE COC1(CCNC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2267162768 RODXCSPXOFLONI-UHFFFAOYSA-N 467.397 2.198 30 10 JEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 2267511228 ZBTCPVVIIAYOEP-OAHLLOKOSA-N 450.341 2.253 30 10 JEEE Cc1c(C(=O)NC[C@@H](C)CN(C)C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267528981 IFAHMVSAQRMHSO-CQSZACIVSA-N 450.389 2.261 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)CCO1 2267556668 GUPXKNPMKSFMFO-GJZGRUSLSA-N 450.341 2.381 30 10 JEEE CC[C@](C)(O)CN(Cc1ccccc1)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2267718473 UGJJCPLITMDRPW-QFIPXVFZSA-N 463.409 2.071 30 10 JEEE CN1CCN(C(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)[C@@H](CNC(=O)OC(C)(C)C)C1 2281937428 ZQTALNKESDUMFS-KRWDZBQOSA-N 459.396 2.267 30 10 JEEE C[C@H]1CCCN(C(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)[C@H]1CNC(=O)OC(C)(C)C 2281981974 QLTZTYQOVNVOPQ-RDJZCZTQSA-N 462.400 2.485 30 10 JEEE CC(C)(C)OC(=O)N1CCC([S@@](C)(=O)=NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CC1 2281991345 YVNWLIWWFXINPA-MGBGTMOVSA-N 482.412 2.346 30 10 JEEE CO[C@H]1CN(C(=O)c2cccc(F)c2B2OC(C)(C)C(C)(C)O2)C[C@@H]1NC(=O)OC(C)(C)C 2282412296 NXYRVFXCTCTQAU-IRXDYDNUSA-N 464.343 2.489 30 10 JEEE CC(C)(C)OC(=O)N1CC2(CC[C@@H](CNC(=O)c3coc(B4OC(C)(C)C(C)(C)O4)c3)O2)C1 2282534999 YUNIQBXDHPJAGC-INIZCTEOSA-N 462.352 2.477 30 10 JEEE Cn1cc(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C(F)F)c(B2OC(C)(C)C(C)(C)O2)n1 2282586067 UCSHKJPTACPJSM-FUHWJXTLSA-N 460.334 2.215 30 10 JEEE Cc1c(C(=O)NC2CC3(C2)C[C@@H]3NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282593901 WYEJQSZTPHDTSU-VZSHHBOJSA-N 460.384 2.203 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](NS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)[C@H](F)C1 2282831120 FHZANEFJWCXHDC-SJORKVTESA-N 485.387 2.007 30 10 JEEE CC(C)(C)OC(=O)N[C@@]12C[C@@H]1CN(S(=O)(=O)c1ccc(B3OC(C)(C)C(C)(C)O3)cc1F)C2 2282831786 DWOJSEZBQNZOFI-JLCFBVMHSA-N 482.383 2.413 30 10 JEEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)C(=O)[C@@H]1C[C@H](O)CN1C(=O)OC(C)(C)C 2283953833 XZYCITBAYCVANZ-OALUTQOASA-N 460.380 2.315 30 10 JEEE Cc1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CC(O)(CNC(=O)OC(C)(C)C)C1 2285974939 WNIXIBCNHJFIAN-UHFFFAOYSA-N 464.343 2.145 30 10 JEEE COC[C@H]1C[C@H](CNC(=O)OC(C)(C)C)N(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)C1 2289508028 UXEFFNXLQCRISW-LSDHHAIUSA-N 481.424 2.444 30 10 JEEE C[C@@H](C#CC(=O)NCC1(O)C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C 2318684956 HIRSTIBQLARUFD-BCVMRJLUSA-N 451.564 2.312 30 10 JEEE COc1ccc(C=Nn2c(SCC(N)=O)nnc2[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1 2325917779 ITSOIZFUHXITDB-SFHVURJKSA-N 464.551 2.262 30 10 JEEE CCCNC(=O)CSc1nnc(C(F)(F)F)n1N=Cc1cc2c(cc1[N+](=O)[O-])OCCO2 2331124061 JEKUTSOJYMEUTP-UHFFFAOYSA-N 474.421 2.477 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H](NC(=O)OC(C)(C)C)C(C)(C)C 2336902567 BGEHNUAOSKDBKN-HNNXBMFYSA-N 450.389 2.389 30 10 JEEE CCC[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nc(C)n1C 2337271394 WFQPZWPNBLDDRB-OAHLLOKOSA-N 450.389 2.451 30 10 JEEE CO[C@@H]1[C@H](OC)CN(C(=O)OC(C)(C)C)[C@H]1C(=O)N1C[C@H]2C(B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2358196505 LHPFRGWAYBJNJN-PGZVSCLCSA-N 466.384 2.186 30 10 JEEE CC(C)(C)OC(=O)N1CC(=O)NC[C@H]1C(=O)NCc1sc(Cl)cc1B1OC(C)(C)C(C)(C)O1 2369889652 PAEVMHVELMSZGI-ZDUSSCGKSA-N 499.826 2.052 30 10 JEEE COc1ccc(/C=N/Nc2nnc(SCC(=O)Nc3ccc(C(C)=O)cc3)n2N)cc1OC 20292829 XGOWVBSRDOFMLN-FOKLQQMPSA-N 469.527 2.389 30 10 JEEE C=CCN(C)S(=O)(=O)c1ccc(NCC(=O)N2CCN(c3cc(C)nc(C(C)C)n3)CC2)cc1 615044508 AXSAXEMQXMETLZ-UHFFFAOYSA-N 486.642 2.476 30 10 JEEE CC#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1C[C@@H](O)C[C@H]1C(=O)O 757205764 BATMYCMNSMMZIS-GMWOSMDTSA-N 462.502 2.354 30 10 JEEE C#CCSCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCCC1 1124576414 DICQIYRVSMXCDS-UHFFFAOYSA-N 451.614 2.393 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1Cc1ccc(C#N)o1)[C@H]1CCS(=O)(=O)C1 1286388562 RIRPXLVTDYPVOT-INIZCTEOSA-N 481.534 2.102 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1CCCOC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1286394543 VZQZTOIJFYPGNK-LJQANCHMSA-N 478.640 2.143 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CC1(OCC)CCCC1)[C@H]1CCS(=O)(=O)C1 1286395986 UUXGCQHAJXASDV-FQEVSTJZSA-N 457.600 2.240 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H](C)CN1CCOCC1 1286413320 IPZAQWCKTUUHES-FGZHOGPDSA-N 484.645 2.434 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCN(CCc2ccccc2)C1 1286448501 WNEXWGGJSIPKFA-FCHUYYIVSA-N 455.628 2.204 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2cccnc2)n1CCC(=O)N1CCOCC1 1286458348 QWKILYUCJBVTIA-UHFFFAOYSA-N 462.529 2.292 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@](C)(O)CCC(C)C)CC1 1286485852 AXRYFRAKAIJDDJ-RUZDIDTESA-N 481.601 2.078 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(N(CC)CC)cc2)CC1 1286494803 ROESOURNDHGRGJ-UHFFFAOYSA-N 491.640 2.261 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CCNS(C)(=O)=O 1286564669 WXEBBOLXJXDDOC-NCXUSEDFSA-N 469.652 2.163 30 10 JEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@H](C)c2nc(C(C)C)no2)CC1 1286606333 MRUKNZGMKHXCLY-QZTJIDSGSA-N 472.594 2.212 30 10 JEEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(=O)c2ccc(C)s2)CC1 1286619846 DRKLZRVLQUHVCK-AWEZNQCLSA-N 487.051 2.410 30 10 JEEE C=C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2Cc2cnn(CCOC)c2)CC1 1286641022 RMKOXWXLTNOSLP-UHFFFAOYSA-N 485.614 2.243 30 10 JEEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCOC(C)(C)C1 1286726895 KISLTUDOKRSLRK-SFHVURJKSA-N 464.611 2.320 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)CC1CC(F)(F)C1 1286787141 PDNGQPDACYFKSU-UHFFFAOYSA-N 471.512 2.459 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1286791855 FMKIRVVZALSBNQ-NRFANRHFSA-N 468.602 2.077 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCOc2cccc(F)c2)C1 1286810792 VTPNKYRSXQBKTD-QFBILLFUSA-N 450.536 2.180 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1286821585 PSMQZBDPGCVSTP-DENIHFKCSA-N 491.633 2.156 30 10 JEEE C=CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1286836397 MFWKNDSSQCJSSQ-YWTNHNAXSA-N 452.621 2.476 30 10 JEEE CCC(O)(CC)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1292283143 BEMORXSBESGBNO-UXHICEINSA-N 473.599 2.181 30 10 JEEE COc1ccc(-c2nnc(N3CCC(CC#N)CC3)n2CCNS(C)(=O)=O)cc1Br 1300037828 FADLAZVWNYKXEZ-UHFFFAOYSA-N 497.419 2.395 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1Cc1ccc(C)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1300479855 SYMLAJVGRPHCRZ-HXUWFJFHSA-N 487.626 2.189 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCN(C)[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1300481963 CXDBHOHDYPEXCV-ICSRJNTNSA-N 459.616 2.311 30 10 JEEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1CC1=CCCCC1)[C@@H]1CCS(=O)(=O)C1 1300504768 RSPQNZYDYGWTTC-GOSISDBHSA-N 473.624 2.397 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](CC)Oc1cccc(F)c1 1300631852 XHXCKIDTHREESI-AZUAARDMSA-N 479.578 2.067 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCOC3)n2Cc2ccc(Cl)nc2)n1 1300680381 AANBVTSSWXKQOU-SFHVURJKSA-N 455.950 2.361 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCCN2CCCC2)CC1 1300682803 RNCIWZCQIMERSK-UHFFFAOYSA-N 470.021 2.103 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H](CC)N2CCCC2)CC1 1300729030 LSTHHUDEJDZLSB-NRFANRHFSA-N 469.659 2.474 30 10 JEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 1300756810 UFOPCWFETKHSDC-PKOBYXMFSA-N 458.632 2.071 30 10 JEEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(NC(=O)COC)CC1 1300778038 KAGUGKAAJNMURI-UYAOXDASSA-N 463.648 2.295 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2OC)nnc1N1CCN(CC(=O)N(C)C)CC1 1300897018 MVLKABQMWSLCOY-NLFFAJNJSA-N 498.628 2.057 30 10 JEEE C=C1CCN(c2nnc(C(=O)N3CCCC3)n2CC[C@@H](N2CCOCC2)C(F)(F)F)CC1 1301058937 LSYYHAFYQAVELD-QGZVFWFLSA-N 456.513 2.324 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCS(=O)(=O)NC(C)C 1301310539 QOXCIDKVVODUEY-INIZCTEOSA-N 456.613 2.300 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCO[C@@H](C(C)C)C1 1301482687 AGMVTTBOCSDSSJ-LJQANCHMSA-N 459.547 2.134 30 10 JEEE C=CCNC(=O)Cn1c(N2CCc3cc(OC)c(OC)cc3C2)nnc1[C@@]1(OC(C)C)CCOC1 1301517740 BMGNKFWALVUOGA-RUZDIDTESA-N 485.585 2.201 30 10 JEEE C=CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(C(=O)NC)CC1 1301609763 NUFJVAZBEBHPDT-UHFFFAOYSA-N 482.614 2.056 30 10 JEEE C=CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCNC(=O)[C@@H]1CC 1301611058 FASVIEFNTSQZOB-DLBZAZTESA-N 480.635 2.221 30 10 JEEE CN(CCc1cnccn1)c1nnc(-c2ccc(C#N)cc2)n1CC1(CS(C)(=O)=O)CC1 1314832456 GBVZVQYDKITMGZ-UHFFFAOYSA-N 451.556 2.110 30 10 JEEE C#CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1358927471 ZYFJAHPYJMOULK-QGZVFWFLSA-N 468.583 2.102 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@@H](C)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1358959944 SNUXBEYHIADVLF-QUCCMNQESA-N 459.616 2.311 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCCCN1C1CC1 1358971842 KSOMMTKEPKOIIF-NRFANRHFSA-N 451.596 2.438 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H](C)CN1CCN(CC)CC1 1358989670 LYUCQQBEFLRUAG-OAQYLSRUSA-N 462.598 2.410 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@H](F)COC)CC1 1359035331 QWEPKTLHNARQCP-RTBURBONSA-N 464.586 2.132 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCOCCS(C)(=O)=O 1359074911 WKEIJJOBCXGALR-FDDCHVKYSA-N 495.646 2.403 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1359091491 OCLJTHLXOCFMOE-RTWAWAEBSA-N 472.634 2.323 30 10 JEEE C=C(C)COCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1359130045 WQAFOUUKDFZZEC-NRFANRHFSA-N 498.628 2.298 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(=O)NC(C)C)n1C[C@H]1CCS(=O)(=O)C1 1359254274 KMDVGAJDIRNGLS-GOSISDBHSA-N 461.588 2.052 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(NC(=O)C(C)C)CC1 1359293007 DESOWBIFNRCRLN-UHFFFAOYSA-N 478.395 2.079 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1359296565 NEMPZVMUFQJPIZ-AVRWGWEMSA-N 485.585 2.429 30 10 JEEE C=CCCC[C@@H](NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1Br)C(=O)OC 1475688845 OJQIQORQFPZHHP-CYBMUJFWSA-N 454.364 2.029 30 10 JEEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCCC(C)(C)C2)CCN1S(C)(=O)=O 1505280708 GVBYRLDZTBCHRW-IBGZPJMESA-N 485.658 2.409 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)(C)C)n2C[C@@H]2CCN(S(C)(=O)=O)C2)c1 1507550175 HGVDRLBYWRCRNZ-LJQANCHMSA-N 486.642 2.204 30 10 JEEE C#CCCCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1507566693 KITZJVYQJTXUQZ-LJQANCHMSA-N 469.615 2.086 30 10 JEEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2cccc(COCC(F)(F)F)c2)CC1 1507726617 JJWNTIWRZOLMEP-UHFFFAOYSA-N 490.530 2.283 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCSCC(F)(F)F)CC1 1507739114 MUZCVNWKYNMBOR-MRXNPFEDSA-N 459.538 2.433 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCc2ccsc2)CC1 1507741444 SWCTXODHQKHJDR-PMACEKPBSA-N 457.600 2.272 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1CCCCN1CCN(CC)CC1 1507762455 YXLZAURSSJNBTF-RPBOFIJWSA-N 458.651 2.340 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CCC[C@H](CC(N)=O)C1 1508078391 ACELHCWVFGWRLQ-CQSZACIVSA-N 461.364 2.102 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2(S(C)(=O)=O)CCC2)C1 1508117964 QAMDOPCXNQZCDT-SFHVURJKSA-N 494.639 2.097 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCN(CCC(C)(C)C)CC1 1508145325 ZFXOBKYQKMIMCC-UHFFFAOYSA-N 460.648 2.423 30 10 JEEE C[C@@H]1SCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)[C@H]1C 1512584321 AOHUJIBSQRCLHK-XYJFISCASA-N 460.629 2.428 30 10 JEEE CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1CCC(=O)N1CCCCC1 1516781492 GCLYEEOOCVXHSB-SFHVURJKSA-N 472.615 2.479 30 10 JEEE COc1cc(OC)cc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCN2CCC(O)CC2)c1 1518044874 AQOIKXZYSFYOOZ-HSZRJFAPSA-N 458.538 2.251 30 10 JEEE C=C[C@@H]1OCC[C@H]1C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N1CCN(CC)CC1 1524444259 HMHXFSUKNROIOD-KNQAVFIVSA-N 464.632 2.389 30 10 JEEE C=C(Cl)C[C@@H](NC(=O)c1ccc(N2CCN(C(C)=O)CC2)c([N+](=O)[O-])c1)C(=O)OCC 1535344549 CARUZUPUECNMFV-MRXNPFEDSA-N 452.895 2.067 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@]1(O)CCO[C@@H]1C 1539003087 LEOCCWQYVIXVOC-SRGWNRLKSA-N 450.543 2.234 30 10 JEEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CC1COC(C)(C)OC1 1539115714 GYBUDELEFLEYTC-UHFFFAOYSA-N 450.543 2.441 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CCCCS1)[C@@H]1CCS(=O)(=O)C1 1539201935 CXOVEAUGVHHBQB-MSOLQXFVSA-N 467.661 2.109 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@](C)(O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1539205317 GQCFCLYYVRRPAP-VGOFRKELSA-N 480.537 2.334 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@H]1CCCN(C(C)=O)C1)[C@H]1CCS(=O)(=O)C1 1539210938 IHPLYKIBALWLBK-SFTDATJTSA-N 469.611 2.139 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](C)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1539213499 ZRLJRRGKYUXZHO-YLJYHZDGSA-N 498.609 2.357 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2CCCN(CC(C)C)C2)CC1 1539488911 OZYYAELFUUPQON-HSZRJFAPSA-N 494.688 2.474 30 10 JEEE C#CCSCCn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1539504462 HJSLWRFBPWRMDQ-LJQANCHMSA-N 464.599 2.406 30 10 JEEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1539902293 DFBNATIOXKXGSY-SJORKVTESA-N 455.625 2.265 30 10 JEEE C=CCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(c2cccnn2)CC1 1540029456 RDMRZXQPVKZTNB-UHFFFAOYSA-N 483.598 2.058 30 10 JEEE C=CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1CCS(=O)(=O)CC1 1540043859 KFDYLXXTLVOKKP-UHFFFAOYSA-N 451.980 2.309 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCO1 1540179898 CVVZZWCPAYPUFM-NHCUHLMSSA-N 475.615 2.025 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2C[C@](C)(O)CC)C1 1540883892 GOVFIDRMZCUVHD-VGOFRKELSA-N 462.620 2.489 30 10 JEEE Cc1ccc(S(=O)(=O)NCCN2CCN(C(=O)c3ccccc3SCC#N)CC2)cc1 1542962248 HDMPFVGAKFOBQP-UHFFFAOYSA-N 458.609 2.347 30 10 JEEE COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)c2cccs2)CC1 1554556410 FVKSSIYMOKBGLW-UHFFFAOYSA-N 465.539 2.197 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)c(Br)c1 1587638478 FMWLEOHPKMDGCV-UKRRQHHQSA-N 467.389 2.458 30 10 JEEE C#CCN(c1nnc(C(C)C)n1C[C@H](C)CNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1588030208 QSVOIYOLFMFWGC-SJORKVTESA-N 453.609 2.189 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCC1(OC)CCC1)[C@@H]1CCS(=O)(=O)C1 1588039956 GQNMDSLPFOIZDZ-HXUWFJFHSA-N 453.568 2.403 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CC(=O)N(C)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1588040558 OKGNPECPNICNPS-HXUWFJFHSA-N 481.578 2.132 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H](C)Oc1ccccc1)[C@H]1CCS(=O)(=O)C1 1588064447 IGSYHMWUHZLUCP-CTNGQTDRSA-N 465.579 2.358 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2Cc2ccc(C(N)=O)nc2)CC1 1588790810 CZBRXDCHSLWDDX-UHFFFAOYSA-N 489.580 2.040 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2Cc2ccc(C)n(C)c2=O)CC1 1588947004 JTVGFVUABWBONI-UHFFFAOYSA-N 476.556 2.029 30 10 JEEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1588994717 ZFGPFVPQGFOJNR-GOSISDBHSA-N 484.445 2.417 30 10 JEEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1589404772 LXAMBRQANQSLFG-GJZGRUSLSA-N 459.410 2.220 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1589527965 BZICTTVZDKVEHU-SBHAEUEKSA-N 474.631 2.395 30 10 JEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1C[C@@H](OCC)C12CCC2 1594732780 IAMWYZXWUDZMLG-IPMKNSEASA-N 467.636 2.361 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2Cc2cnccc2OC)C1 1595688296 GHBJQRBJLHJDPM-FQEVSTJZSA-N 498.609 2.429 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(C)nc3ccccc23)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1595766861 ZICLXEVXQFGIAW-KRWDZBQOSA-N 491.639 2.272 30 10 JEEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 1596092539 DHUFOKLEAYCWJU-GFCCVEGCSA-N 453.300 2.303 30 10 JEEE C[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1)N(C)Cc1ccccc1 1611583603 GYXLPJDYDFZCLK-ZWCUEREDSA-N 460.579 2.143 30 10 JEEE CCO[C@@]1(c2nnc(N3CCN(Cc4ccc(C#N)cc4)CC3)n2CCC(C)(C)O)CCOC1 1616256721 BTZKRYBFVCEWKN-VWLOTQADSA-N 468.602 2.285 30 10 JEEE C=CCC1(C(=O)N2CCN(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)CC2)CCOCC1 1618244086 PBRPEFIXOXWGMH-UHFFFAOYSA-N 450.580 2.176 30 10 JEEE C#CCN1CCC[C@H]1C(=O)NCCN1C(=O)S/C(=C/c2ccc(OCC)c(OC)c2)C1=O 1625078805 JBSOGFRDUDEMQY-AWZALFRUSA-N 457.552 2.344 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)NC2(CC(=O)OC(C)(C)C)CCOCC2)ccc1F 1629364205 INMAIUKGCDRKRB-UHFFFAOYSA-N 456.536 2.301 30 10 JEEE C#Cc1cncc(C(=O)N2CC[C@@H]3[C@H](C2)NC(=O)N3C2CCN(C(=O)OC(C)(C)C)CC2)c1 1629912114 IZDJCCZOFNGLLL-VQTJNVASSA-N 453.543 2.071 30 10 JEEE C#CC[C@@]1(C(=O)NC2CN(c3ccc(C(=O)OCC)cn3)C2)CCCN1C(=O)OC(C)(C)C 1633852863 QPFFBLUYOZCSLO-DEOSSOPVSA-N 456.543 2.356 30 10 JEEE C#CCNC(=O)CN1CCN(C(=O)c2cc(Oc3cccc(Br)c3)ccn2)CC1 1634876499 RTDDTQUZXGIFKG-UHFFFAOYSA-N 457.328 2.144 30 10 JEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1CC2(CCOCC2)Oc2ccccc21 1643510155 BGLTUAUTBCDYNF-UZLBHIALSA-N 455.536 2.414 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1689851263 OCDDDQYSIFXXDM-MSOLQXFVSA-N 494.662 2.132 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H](c1cccc(OC)c1)N(C)C)[C@H]1CCS(=O)(=O)C1 1689986689 VHAXAXCMYPDDLE-NZQKXSOJSA-N 494.621 2.278 30 10 JEEE C#CCN(c1nnc(CCOc2ccccc2)n1C[C@@H]1CCCCN1CC)[C@@H]1CCS(=O)(=O)C1 1689993809 MAKHPXCJCDWYEK-FCHUYYIVSA-N 485.654 2.401 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1CCCN1C[C@H](C)O[C@H](C)C1 1690103997 KBDGJRWMDCTCEB-MZKRTTBSSA-N 469.586 2.376 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1ccccc1 1690206460 RSCJUHSRCBXHKL-NZQKXSOJSA-N 457.600 2.236 30 10 JEEE C=C(Cl)Cn1c([C@H]2CCCOC2)nnc1N1CCN(C[C@H](O)COc2ccccc2)CC1 1690343877 GNPFNZLOWFCCJS-PMACEKPBSA-N 461.994 2.487 30 10 JEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)c1nccs1 1690485547 WLQKVKUBKOCCNK-HOTGVXAUSA-N 454.622 2.274 30 10 JEEE C=CCCOCCn1c(-c2ccc3ccccc3n2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1690504015 VPXOWZZSGPUOJX-FQEVSTJZSA-N 450.543 2.427 30 10 JEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1690644356 GOWBQRUOKDGWIF-ICSRJNTNSA-N 476.622 2.462 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(OC(C)(C)C)CC1 1690665883 SHDALZFWABRHJN-UHFFFAOYSA-N 465.562 2.007 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 1690669338 AYULYJXPOHSWFG-LPHOPBHVSA-N 461.588 2.423 30 10 JEEE C=CCNC(=O)Cn1c(N2C[C@H](C)OC(C)(C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1690676757 CIUIVUBASHDLNO-YESZJQIVSA-N 462.595 2.355 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3OC)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1690694710 UGTKFAQBCYPMPH-ZWKOTPCHSA-N 461.588 2.017 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCN(Cc3cccc(F)c3)C(=O)C2)nnc1C(C)(C)C 1690731713 PUQAPKJHSAJXTB-UHFFFAOYSA-N 463.579 2.164 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCC1CCOCC1 1694347287 FUUJIWINTRWIHI-UHFFFAOYSA-N 497.648 2.253 30 10 JEEE CCN(c1nnc(COc2ccc(C#N)cc2)n1Cc1nccn1C(F)F)[C@H]1CCS(=O)(=O)C1 1695568511 HNMURJCQJFHOPP-INIZCTEOSA-N 491.524 2.382 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC(=O)NCc1ccco1 1705505353 JPPDFVGNNGYOGK-YESZJQIVSA-N 456.547 2.416 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(SC)CC2)c1 1705506577 BOADRWPZYKHVIX-QGZVFWFLSA-N 473.624 2.132 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCN(CC)C1CC1)[C@H]1CCS(=O)(=O)C1 1705562246 ZHLZGDFZIPJCFY-FQEVSTJZSA-N 457.600 2.065 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1CCN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1705562550 FFGIDBLZBNYFSY-HXUWFJFHSA-N 487.626 2.075 30 10 JEEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccnc(OC2CCOCC2)c1 1705574583 HXMAXLANNRAFFN-RUZDIDTESA-N 465.554 2.004 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(N2CCOCC2)CC1 1705581862 MQJCFPGLBSIKPO-OAQYLSRUSA-N 482.629 2.330 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2CC2(C(=O)NCC)CCC2)CC1 1705635467 ZJQPPZYDWNSIHK-UHFFFAOYSA-N 488.434 2.108 30 10 JEEE C#CCN1CCN(c2nnc(CC3CCCC3)n2CCc2ccc(S(C)(=O)=O)cc2)CC1 1705641601 MACATDAZRKIAEQ-UHFFFAOYSA-N 455.628 2.412 30 10 JEEE C#CCSCCn1c(-c2ccccc2Br)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1705656656 FARIDYFBSGNIOE-RHSMWYFYSA-N 479.400 2.434 30 10 JEEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCCN(c2nccc(OCC)n2)CC1 1705907617 RVNBQRWZCLJNSY-UHFFFAOYSA-N 468.606 2.218 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](C(C)C)N2CCOCC2)C1 1705929364 PHQYPMKKTCMQQY-YADHBBJMSA-N 457.623 2.278 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1C[C@H](C)O[C@H](c2ccsc2)C1 1705936505 RVQLXUWQGAHBFI-JZXOWHBKSA-N 452.602 2.411 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(Cc2csc(CC)n2)CC1 1705936829 ZGMVYCNTZZDKEV-SFHVURJKSA-N 494.687 2.114 30 10 JEEE C=CCS(=O)(=O)CCn1c(CSc2ccc(C)cc2)nnc1N1CCN(C2CC2)C(=O)C1 1705939515 YXYWMRQSSQFWIX-UHFFFAOYSA-N 475.640 2.291 30 10 JEEE CO[C@@H]1COCC[C@@H]1Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N(C)[C@H](C)CC#N 1712095959 CXJKXLJWZUBPEZ-CQOQZXRMSA-N 481.645 2.433 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCNc2ncc(Cl)cc2Cl)CC1 1722432763 DCKYJOJVGVMKMN-QFIPXVFZSA-N 494.427 2.499 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Br)n2CC(=O)NC(C)C)CC1 1722445841 YNUSFGLZKFCFSE-UHFFFAOYSA-N 487.402 2.198 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2CCCO[C@@H]2CCOC2)CC1 1722448510 DACIRQVPPBLMIL-HXUWFJFHSA-N 457.600 2.092 30 10 JEEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C2CCOCC2)CC1 1722523942 BYBSDZDDMCDCDI-FQEVSTJZSA-N 476.622 2.464 30 10 JEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CCc2ccccc2)CC1 1722527455 JUQWTCJKORIRKV-UHFFFAOYSA-N 452.603 2.472 30 10 JEEE C=C(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(=O)C(C)C)CC1)c1ccccc1 1722539033 DQZHODRBFXLOHQ-LJQANCHMSA-N 474.631 2.296 30 10 JEEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1c(C)noc1C 1722603093 GEDQCLJDQCSEIV-GOSISDBHSA-N 452.581 2.209 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](c2nc(C(C)C)cs2)C1 1722698421 GAVIRZYLEHPMGV-IRXDYDNUSA-N 492.671 2.446 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1722702409 NQCQRNQYIVSRMF-LJQANCHMSA-N 479.566 2.374 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](Oc2ncccc2F)C1 1722727300 KAIJBWMKUDQINM-INIZCTEOSA-N 460.535 2.456 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C)C[C@H]1c1cccc(OC)c1 1722728146 UMLAHKDOPCUMHM-VDGAXYAQSA-N 473.599 2.426 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCN(Cc3ccc4c(c3)OCCO4)CC2)nnc1C(C)(C)C 1722731172 FUWCMDPXCPXLTP-UHFFFAOYSA-N 489.642 2.270 30 10 JEEE CC(C)Cc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC(C)(C)N1CCOCC1 1723329830 FFQGMDWJHCLWGM-UHFFFAOYSA-N 452.607 2.181 30 10 JEEE CCOC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCOC(C)(C)C2)CC1 1728701506 BFOXOCBCLVQPPM-UHFFFAOYSA-N 497.600 2.118 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1([S@](C)=O)CCC1 1740539299 SOXKWVQMACVUCC-IWAYBZMOSA-N 462.645 2.306 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CC[C@H]2CCCCO2)c1 1740561837 JJERBPBDJKANCF-HXUWFJFHSA-N 452.559 2.432 30 10 JEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@]2(C)[C@H](C1)C2(Cl)Cl 1740575289 RPFJMHQENIPVGN-BXWFABGCSA-N 490.457 2.435 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H](C(C)C)N1CCOCC1 1740669339 WINOTUNGGXJYOK-NRFANRHFSA-N 463.586 2.008 30 10 JEEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1CCc1nc(C(F)(F)F)cs1 1740687575 BPKXNOZGAYQEPD-UHFFFAOYSA-N 456.494 2.205 30 10 JEEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2Cc2cccc(OCC)c2OC(F)F)CC1 1740695023 AGMYTEVNQVSBDI-UHFFFAOYSA-N 471.512 2.482 30 10 JEEE C=C(Br)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1740744420 ATBMJUIIDLFTCT-WMLDXEAASA-N 498.403 2.217 30 10 JEEE C=CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCS(=O)(=O)C1 1740939240 UIFRUHHUDVIVDY-CYBMUJFWSA-N 458.382 2.109 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@@H](N2CCCCC2)C1 1740953402 FHGDFRYJEKIGOC-LJQANCHMSA-N 454.575 2.329 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1740956425 LLVDEGSZMXQXNU-UHFFFAOYSA-N 497.966 2.280 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1740969524 QJSAXKXJGLFCTF-RLLQIKCJSA-N 476.599 2.033 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](CN2CCCC[C@H]2C)C1 1740992417 PNNCRNXKXFBXRU-QHAWAJNXSA-N 465.664 2.474 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1740994836 UXKUCZUWORJYMN-FCHUYYIVSA-N 490.626 2.459 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1740995039 YGCFRAKWBIDCRE-UHFFFAOYSA-N 469.615 2.205 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1coc(-c2ccccc2)n1 1741924704 DBEHRUATXNYQMF-JLTOFOAXSA-N 459.507 2.034 30 10 JEEE CC[C@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1743886827 FFFATDFMHYXQBS-IPELMVKDSA-N 451.531 2.056 30 10 JEEE C#CCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1748739074 VGPQOPBTTMZYJR-UHFFFAOYSA-N 484.988 2.292 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H](C(C)C)N1CCOCC1 1748831335 LEKPFDIHQSCHLT-QHCPKHFHSA-N 451.571 2.392 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H](CC(C)C)NC(=O)OCC)CC1 1749008540 BQFFYRYLRNYXGN-LJQANCHMSA-N 469.590 2.400 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCC(F)(F)CC1 1749599278 AERWFUBPYJXJMN-KRWDZBQOSA-N 477.578 2.075 30 10 JEEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1749666684 PSNNHDSPDXUAOE-UHFFFAOYSA-N 489.458 2.244 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1749733771 BUMGSFPRDDCTJO-UHFFFAOYSA-N 478.619 2.163 30 10 JEEE N#C[C@@]1(F)CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCNC(=O)c2cc[nH]n2)C1 1750379004 AJHXYLUOHAMQQH-FQEVSTJZSA-N 460.420 2.142 30 10 JEEE C#CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(C(=O)NC)CC1 1760135525 YLBJNPFOKNSWAY-UHFFFAOYSA-N 457.604 2.004 30 10 JEEE C#CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1760135536 ZBDVMTPWPUZZCD-GOSISDBHSA-N 482.610 2.399 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CC1CCS(=O)(=O)CC1)[C@@H]1CCS(=O)(=O)C1 1760182417 FQEGPBOJOIMHNZ-LJQANCHMSA-N 497.042 2.050 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1CCCCCO)[C@@H]1CCS(=O)(=O)C1 1760183782 RFXAVMROIZHWSC-QGZVFWFLSA-N 466.991 2.396 30 10 JEEE C#CCN(CC#CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@]1(O)CCO[C@@H]1C 1760218847 OJBXVWDNRCGIRE-KBMIEXCESA-N 471.602 2.395 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccc(NC(C)=O)cc2)CC1 1760257532 YPPKNZYHLOFHLI-RUZDIDTESA-N 466.586 2.081 30 10 JEEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2Cc2cccnc2OCC(F)(F)F)CC1 1760262397 NZCNLPZFTWXVNT-UHFFFAOYSA-N 471.487 2.404 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2CCN2CCSCC2)CC1 1760270613 SIHYXOGYWQHJDS-UHFFFAOYSA-N 488.608 2.162 30 10 JEEE C=C(Br)Cn1c(C(=O)NC(CC)CC)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1760299774 HGPGVOKAWTXCIL-HUUCEWRRSA-N 453.385 2.353 30 10 JEEE C=CC[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCNC(=O)[C@H]1CC)c1ccccc1 1760418760 XOTWWBQYMBQEAT-VAMGGRTRSA-N 457.600 2.255 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1760514840 GXPWSQUZQKQSLM-KRWDZBQOSA-N 489.378 2.132 30 10 JEEE COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1cc(F)cc(F)c1 1769844718 CDOIQHKSRJDOQI-MRXNPFEDSA-N 453.515 2.068 30 10 JEEE C=CCNC(=O)[C@H](Cc1ccc(OC(C)=O)cc1)NC(=O)c1ccc(=O)n(Cc2ccccc2)c1 1861245829 FJQZTPLBQAQKOX-DEOSSOPVSA-N 473.529 2.465 30 10 JEEE O=C(O)c1ccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCN2CCOCC2)cc1 1862595759 DPALDIRKJQDNHJ-HXUWFJFHSA-N 452.463 2.001 30 10 JEEE CC[C@H](C)[C@@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H](c1ccc(O)cc1)N(C)C 1869933639 LAFCKGBKPIDNMX-PAXLWEDBSA-N 458.584 2.265 30 10 JEEE CCc1ccc(Cn2nnc(C#N)c2NC(=O)CNC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 1870106991 NFKIWWMGMNEIOT-UHFFFAOYSA-N 478.509 2.155 30 10 JEEE CCOC(=O)c1ccc(N2C[C@H](C(=O)Nc3c(C#N)nnn3-c3ccc4c(c3)OCO4)CC2=O)cc1 1870151357 UHQXZALGZKZDCO-OAHLLOKOSA-N 488.460 2.036 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NC[C@H]2CCCO2)cn1Cc1cccnc1 1870543848 VRNRLGMHVLKNOO-JOCHJYFZSA-N 452.555 2.140 30 10 JEEE Cn1nc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2255654216 UBZZCBLSUNRGCV-GFCCVEGCSA-N 454.764 2.112 30 10 JEEE Cc1c(C(=O)N[C@H]2CC[C@H]2NC(=O)OCc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2255665821 KREZGNGCELMXAH-ZWKOTPCHSA-N 468.363 2.215 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@@H]1CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2255832261 JQQZPMVHKGEUGB-HNNXBMFYSA-N 452.382 2.413 30 10 JEEE Cc1sc(C(=O)N[C@@H]2COC[C@@H]2NC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2255839828 ZNKACGKEYBRXPD-CABCVRRESA-N 452.382 2.378 30 10 JEEE Cc1c(B2OC(C)(C)C(C)(C)O2)csc1C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O 2267108816 YQVSCCCXPWRFSD-HOTGVXAUSA-N 466.409 2.456 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1S(=O)(=O)NC[C@@H]1C[C@H]1NC(=O)OC(C)(C)C 2267463513 BCTZRYHPPXMSRB-DOTOQJQBSA-N 466.409 2.486 30 10 JEEE Cc1sc(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)cc1B1OC(C)(C)C(C)(C)O1 2267549007 WNUWVWJWMOBASC-ZBFHGGJFSA-N 466.409 2.313 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H](C(=O)NCc2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2268628013 BHKKAYLLEORMIW-CABCVRRESA-N 466.409 2.281 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)Nc1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2268636955 IXNJFJDBVTXAIN-YOEHRIQHSA-N 450.316 2.434 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](C(=O)NCc1sccc1B1OC(C)(C)C(C)(C)O1)C1(O)CCC1 2268702583 VUVGZUWDZIQIPB-INIZCTEOSA-N 466.409 2.472 30 10 JEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H](COCc1ccccc1)C(=O)O 2269026037 HOESUGGJTLHBDN-INIZCTEOSA-N 481.401 2.304 30 10 JEEE C=C(CS(=O)(=O)N1C[C@H](C)OC2(CN(C(=O)OC(C)(C)C)C2)C1)B1OC(C)(C)C(C)(C)O1 2272811695 OIWINDXQYKRGKC-INIZCTEOSA-N 472.413 2.214 30 10 JEEE CC(C)(C)OC(=O)NCC1(CNC(=O)c2ccc(F)c(B3OC(C)(C)C(C)(C)O3)c2)COC1 2281774610 ZDYCXTXTUYFXRH-UHFFFAOYSA-N 464.343 2.396 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1COCCN1C(=O)c1cccc(F)c1B1OC(C)(C)C(C)(C)O1 2281786388 FQVIEHURQRQXAO-HNNXBMFYSA-N 464.343 2.491 30 10 JEEE Cn1cc(C(=O)N2CC[C@@H]3CCN(C(=O)OC(C)(C)C)[C@H]3C2)c(B2OC(C)(C)C(C)(C)O2)n1 2281959550 NYDWWASBCLORPA-WBVHZDCISA-N 460.384 2.191 30 10 JEEE Cn1cc(C(=O)NCC2(C)CCN(C(=O)OC(C)(C)C)CC2)nc1B1OC(C)(C)C(C)(C)O1 2282038455 IYKMLWQRNFZJLD-UHFFFAOYSA-N 462.400 2.486 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 2282042561 CZZRKCOIGQLIJX-ZSHCYNCHSA-N 460.384 2.095 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C(=O)O)N(C(=O)c2occc2B2OC(C)(C)C(C)(C)O2)C1 2282048089 HKIWJRQNBKRPLM-UKRRQHHQSA-N 464.324 2.161 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)C[C@@H]1CO 2282180893 YQVJVGMPPLLMNN-IEBWSBKVSA-N 460.380 2.334 30 10 JEEE Cc1cc(S(=O)(=O)NCCOCCNC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2282309391 DYRHPZARJGATCZ-UHFFFAOYSA-N 484.424 2.114 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2CC[C@H](C1)C2NC(=O)OC(C)(C)C 2282533599 NHJQLXZOLPNKIL-FKEKPDDDSA-N 460.384 2.095 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@@H]2[C@@H](CCN2C(=O)OC(C)(C)C)C1 2282534354 TWMUBYKMDMHXEV-DOTOQJQBSA-N 460.384 2.191 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H]3CC[C@H]2[C@H]3NC(=O)OC(C)(C)C)n1 2282594634 IUIXXVIFYMYKDA-PVAVHDDUSA-N 460.384 2.330 30 10 JEEE CN(C)CCCN(CCNC(=O)OC(C)(C)C)C(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2282613600 MNKYBYQQCQPQSP-UHFFFAOYSA-N 482.456 2.361 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](NC(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)cc3)CO[C@H]2C1 2282665902 DLMWFLAFNDXHDE-FHWLQOOXSA-N 458.364 2.350 30 10 JEEE CN(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1Cc2cccc(B3OC(C)(C)C(C)(C)O3)c2C1 2283978595 DOHBYHKWVFYBOY-LJQANCHMSA-N 459.396 2.283 30 10 JEEE CC(C)(C)OC(=O)N1CC(O)([C@@H](F)C(=O)Nc2ccc(F)cc2B2OC(C)(C)C(C)(C)O2)C1 2284057771 DQXVXKWLASFWKE-INIZCTEOSA-N 468.306 2.383 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CC(COCc2ccccc2)(C(=O)O)C1 2284389423 MBNCJRJOORNOMQ-UHFFFAOYSA-N 454.332 2.068 30 10 JEEE CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)C(=C(C)NCCC(=O)N3CCCC3)C(=O)[C@@]12C 2297591279 CYNPKBLQBDSOQV-VWLOTQADSA-N 468.506 2.171 30 10 JEEE COc1cc(NC(=O)CSc2n[nH]c(=NN=CC=Cc3ccccc3)n2N)cc(OC)c1 2313701672 UVAPGWIJIIZEPT-UHFFFAOYSA-N 453.528 2.273 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CS(C)(=O)=O)C(=O)N1CCC[C@@H](B2OC(C)(C)C(C)(C)O2)C1 2313846781 BRWVOKILPLWLFO-CABCVRRESA-N 460.402 2.009 30 10 JEEE COc1cc(C=Nn2c(Cc3ccccc3[N+](=O)[O-])nnc2SCCO)cc(OC)c1O 2328531338 QAUSGLDTKPBTBX-UHFFFAOYSA-N 459.484 2.467 30 10 JEEE COc1cc(C=Nn2c(CNC(C)=O)nnc2SCC(=O)Nc2ccc(F)cc2)ccc1O 2330731624 ZLCWWAFHPBDNLH-UHFFFAOYSA-N 472.502 2.381 30 10 JEEE COC[C@H](ONC(=O)OC(C)(C)C)C(=O)N1CCc2scc(B3OC(C)(C)C(C)(C)O3)c2C1 2361641172 XJHQVZCSTGIQPK-INIZCTEOSA-N 482.408 2.403 30 10 JEEE COc1ccc(Cl)cc1/C(O)=C1/C(=O)C(=O)N(CCN2CCOCC2)[C@@H]1c1cccnc1 102758329 RHLSFPAWZNCNEM-GOBJLOIFSA-N 457.914 2.498 30 10 JEEE COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)N(C)CCO4)=C(O)C(=O)N2CCN(C)C)cc1O 170111906 JOOWRVPBCIMJFE-JOCHJYFZSA-N 467.522 2.369 30 10 JEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)N[C@@H](c2ccccc2)[C@H]2CCCO2)CC1 608843443 RFRROJVWSDPTNM-IRLDBZIGSA-N 454.552 2.494 30 10 JEEE CC#CC[C@@H](NC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)OCC)C(=O)O 757199937 KUQPYWRMODTDGN-FGZHOGPDSA-N 478.501 2.440 30 10 JEEE CC#CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@](C)(O)C(=O)O 757206040 DDPSSWMURVWFFM-BWKNWUBXSA-N 450.491 2.259 30 10 JEEE C#C[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1)[C@@H]1CCCO1 1128169484 BNKREXJOMXCNSM-WBAXXEDZSA-N 455.374 2.147 30 10 JEEE C=CCc1cc(CNC(=O)[C@H]2C[C@H](O)CN2C(=O)Cc2ccccc2F)cc(OC)c1OC 1136460638 JDWYIVDSTWCBJM-PZJWPPBQSA-N 456.514 2.392 30 10 JEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)cc1 1214687435 PTQUTLXPIYWMTG-QGZVFWFLSA-N 458.540 2.429 30 10 JEEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(N2CCCS2(=O)=O)cc1 1225757604 FIMRVJQZDCTPAD-UHFFFAOYSA-N 455.584 2.372 30 10 JEEE C#CCCCn1c(CCc2ccc(OC)cc2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1286355741 YDSMGEIHUDPQRV-NRFANRHFSA-N 471.627 2.490 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Cl)n1CCCCCS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 1286386570 CVTUENFCNVJGEU-KRWDZBQOSA-N 499.058 2.440 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H]1CCCO[C@H]1C(C)C)[C@H]1CCS(=O)(=O)C1 1286387354 QDWZUMDBHHBLOA-ACRUOGEOSA-N 457.600 2.418 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ccc(OC)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 1286390248 ZGJAWMLSXUXBIW-INIZCTEOSA-N 472.958 2.072 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cccc(NC(=O)[C@H]2CCCO2)c1 1286414943 GDUQPYOHOPRUOG-WWNPGLIZSA-N 477.565 2.241 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1csc2ccccc12 1286447885 OHBQLYSZMHMZOL-GOSISDBHSA-N 459.597 2.334 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCc2nc(C(C)(C)C)cs2)CC1 1286495233 XMJUPBCXMSBHFH-UHFFFAOYSA-N 497.669 2.363 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(c2cnn(CC)c2)CC1 1286546385 IWQMIBRQPMMZPW-DSKINZAPSA-N 491.662 2.470 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCOC)[C@@H]1CC[C@@H](C)C1 1286628683 FBPLTTLBGGPENW-OIISXLGYSA-N 462.016 2.005 30 10 JEEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1286712179 TYIRIHRBBBAHGQ-GOSISDBHSA-N 496.659 2.041 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@]2(CCC(=O)N2)C1 1286778421 AJGMCLYSNRXGEZ-MHECFPHRSA-N 452.559 2.196 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1286793276 BQQMJMOUCOUPFS-NXMSCROESA-N 490.605 2.037 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H]3CCCOC3)nnc2N2CCO[C@@H](CNC(C)=O)C2)cc1 1286796085 IOBOMHAKMXVTCI-IRLDBZIGSA-N 455.559 2.127 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@]1(N(C)C)CCSC1 1300306954 ATXBOPNQGWKMFA-WZONZLPQSA-N 454.648 2.347 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@H]1CCCCN1CCC)[C@@H]1CCS(=O)(=O)C1 1300500773 DAISTKALOHDGCS-FGZHOGPDSA-N 470.643 2.155 30 10 JEEE C#CCN(c1nnc(COCC)n1CCOc1ccc(F)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 1300504952 WNXURRBEXOSRIG-HNNXBMFYSA-N 470.954 2.313 30 10 JEEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCc1cccnc1 1300545537 RLYKTGITKHTWIB-UHFFFAOYSA-N 453.594 2.353 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCC(=O)N[C@@H](C)CC 1300554087 ZYNCCIYDMXBLBB-GBESFXJTSA-N 456.591 2.426 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2OC)nnc1N1CCN(S(C)(=O)=O)CC1 1300879484 DPCDATJOSOOJTO-XLIONFOSSA-N 461.588 2.017 30 10 JEEE C=C(C)CN(CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1300895569 STADSQOAYJOYGR-JOCHJYFZSA-N 461.588 2.099 30 10 JEEE C=C(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1300927498 HSCORWFQHAIUBL-UHFFFAOYSA-N 481.022 2.298 30 10 JEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](c2cccc(F)c2)N(C)C)CC1 1301067038 WTOMZFBSBJKJPP-APWZRJJASA-N 450.584 2.487 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2oc3ccccc3c2OC)C1 1301540143 ZOORIIBHFWQMDB-HOTGVXAUSA-N 475.571 2.473 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN(C(=O)OC(C)(C)C)C2CC2)C1 1301557446 PAUDRVIQKMHWFR-MJGOQNOKSA-N 495.646 2.361 30 10 JEEE COCCN1C[C@H](Cn2c(CCCc3ccccc3)nnc2N2CC[C@](F)(C#N)C2)CC1=O 1316120963 FCCPMALZBOAADO-YKSBVNFPSA-N 454.550 2.390 30 10 JEEE CSc1cc(Cn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@H](C#N)C2)ccn1 1316415925 DVDBPJRNWBYXNT-OAHLLOKOSA-N 455.569 2.164 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CC(F)(F)CO1)[C@@H]1CCS(=O)(=O)C1 1358959202 DNQDEHVKSDOUCB-HUUCEWRRSA-N 471.917 2.044 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@@H]1CCCN(C(C)=O)C1)[C@@H]1CCS(=O)(=O)C1 1358968103 ZMENWTNPYWPFSQ-FGZHOGPDSA-N 499.637 2.051 30 10 JEEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(-n2nc(C)cc2C)nc1 1358982272 QAIOWOQDXZWFRO-UHFFFAOYSA-N 453.554 2.458 30 10 JEEE C#CCN(CCOC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CCC[C@]2(CCOC2)O1 1359018961 HGQXPPPLXZXSPV-HUVFLSCGSA-N 462.591 2.133 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CC[C@H]2CCO[C@@H](C)C2)CC1 1359038180 MTUDSPGIQPVSJN-OALUTQOASA-N 456.616 2.230 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2C[C@H]2CCC(=O)N2)CC1 1359040719 FCCIHIGXKDWXGQ-VQIMIIECSA-N 484.988 2.316 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@]1(C)CN(C)C1=O 1359108487 QJNDVXWJLAJTOO-QFIPXVFZSA-N 460.604 2.076 30 10 JEEE C=C(C)COCCn1c(-c2ccccn2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1359130225 CDHMUXOVUANPDW-UHFFFAOYSA-N 453.591 2.067 30 10 JEEE C=C(Cl)Cn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1359153231 YKSPUSIEMHHRDE-UHFFFAOYSA-N 460.941 2.032 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCOCCc2ccccc2)CC1 1359165245 LHYDIJAIPJKXBF-JOCHJYFZSA-N 489.642 2.417 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)cn1 1359259066 LHFKRWLSOINSCT-NRFANRHFSA-N 486.573 2.386 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N(C)C[C@H]1CN(CC)c2ccccc2O1 1359299881 OZXOTFBACOKQAA-OALUTQOASA-N 454.575 2.198 30 10 JEEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(OC2CCCC2)CC1 1359304035 JJQKVLGZJUSJII-UHFFFAOYSA-N 472.615 2.500 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1359304792 JOYKNPFLLZTXOW-QGZVFWFLSA-N 458.950 2.014 30 10 JEEE CC(C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC2CCOCC2)CC1 1359604747 DXVMXGQSJAJURP-UHFFFAOYSA-N 454.575 2.048 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)N(CCOC)Cc2ccc3c(c2)OCO3)ccc1F 1456439231 DJSRPDKBYVLGAJ-UHFFFAOYSA-N 450.488 2.308 30 10 JEEE CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2c(C)nn(C)c2C)CC1 1501901082 CRLZQMHOBKWURA-UHFFFAOYSA-N 489.628 2.206 30 10 JEEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CC1(NC(=O)OC(C)(C)C)COC1 1507544656 ZVDJNIJOGTTWDH-HNNXBMFYSA-N 474.587 2.021 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@@H]1CC=CCO1)[C@@H]1CCS(=O)(=O)C1 1507640071 ONSUHPIIVIOXLL-CTNGQTDRSA-N 456.568 2.137 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@@]1(C)CCCO1)[C@H]1CCS(=O)(=O)C1 1507640825 WPORUVGBLFCXNS-WMZHIEFXSA-N 458.584 2.361 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCc1nnc2n1CCCCC2 1507680572 IYVLPMMQAGDRIS-UHFFFAOYSA-N 496.641 2.216 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)N2CCCC2)n1CCCN1CCC(O)CC1 1507699949 LKSTVHANRVEBIU-UHFFFAOYSA-N 468.577 2.140 30 10 JEEE C#CCSCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1507744114 HYFACXRWUNHEBE-INIZCTEOSA-N 462.526 2.469 30 10 JEEE C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1507828609 JEMFHZBDPSTWSB-HXUWFJFHSA-N 454.575 2.281 30 10 JEEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)Nc2c(C)cccc2C)CC1 1507833394 PEOOCWOBPAZRRC-UHFFFAOYSA-N 465.602 2.354 30 10 JEEE C=C(Cl)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)NCCCOCC)CC1 1507850283 FUARQIMIXCGCFN-UHFFFAOYSA-N 452.987 2.026 30 10 JEEE C=CC[C@H](Cn1c(CN2CCCC2=O)nnc1N1CC[C@@H](S(C)(=O)=O)C1)c1ccccc1 1507927728 CACYNQXEBMTQMQ-WOJBJXKFSA-N 457.600 2.384 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N(C)C[C@H]1CCN(Cc2ccccc2)C1 1508089776 KQOLYIIQVRBWNX-FGZHOGPDSA-N 452.603 2.433 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1508094911 QLBOSBFQXJHFGZ-UHFFFAOYSA-N 490.008 2.397 30 10 JEEE C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1)N(C)C1CC1 1510016689 AZISYEXQRUWGPF-QGZVFWFLSA-N 471.631 2.160 30 10 JEEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CCCc3c2[nH]c2ccc(Br)cc32)C1=O 1524628318 GDLHDBLTRDQXMA-HNNXBMFYSA-N 459.300 2.401 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCC(=O)NC1CCCCC1 1539002835 IGSBMTRWDKYYFK-QGZVFWFLSA-N 461.570 2.489 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H](C)Oc1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 1539212310 UPSAHWULUYWXGC-MOPGFXCFSA-N 483.594 2.386 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)c1ccc(OC)cc1 1539368951 FOVXDDKKRXZIEG-HXUWFJFHSA-N 475.615 2.057 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@]2(O)CCSC2)CC1 1539438134 PFUQNGDJESGDAY-HXUWFJFHSA-N 462.417 2.331 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2C[C@H](OC)C(C)C)CC1 1539474546 SPWNNPBFNBOLSZ-QFIPXVFZSA-N 467.570 2.353 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCO[C@H](C(F)(F)F)C1 1540867001 HMIGNHLNASFCAQ-KRWDZBQOSA-N 469.464 2.422 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Br)cc2)nnc1N1CCC(C(=O)NC)CC1 1540899774 ZMEZKVLJQDRXNS-UHFFFAOYSA-N 496.431 2.271 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCCN(C(=O)C(C)C)CC1 1540900958 OKBXTGNSJWGRNI-UHFFFAOYSA-N 463.579 2.380 30 10 JEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nc(C)c(C)s2)CC1 1540917291 RJLUYQVPIXQDBF-KRWDZBQOSA-N 482.701 2.499 30 10 JEEE CN(C)CC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1552860986 FBNZUPPOEKIZRC-JOCHJYFZSA-N 478.601 2.418 30 10 JEEE COCC1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](CNS(C)(=O)=O)C2)CCC1 1555297096 GWEVCPXCBQIEIW-LJQANCHMSA-N 472.615 2.399 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCCN1CCOC1=O 1587620542 HHXNESOKMIOKKL-KRWDZBQOSA-N 463.542 2.365 30 10 JEEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(S(C)(=O)=O)cc1 1587667288 GIDBMHHLSDKLRY-HNNXBMFYSA-N 457.581 2.179 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccccc2Br)n1C[C@H]1CCN(S(C)(=O)=O)C1 1588205141 DUKPTUOHTWQEEO-KRWDZBQOSA-N 490.427 2.452 30 10 JEEE C#CCN(CCOC)c1nnc([C@]2(OCC)CCOC2)n1Cc1cccc2c1OCCCO2 1588581622 YMDUCUWMVPPRGL-DEOSSOPVSA-N 456.543 2.226 30 10 JEEE C#CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1588974813 BWXMBORHSRSLFA-RBUKOAKNSA-N 487.029 2.475 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(F)(F)F)CC1 1595658505 FTUROOCHFHMLDA-SFHVURJKSA-N 499.559 2.478 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC(C)(C)C(=O)NCC)C1 1595690042 ZWAUGYSFXIGUNO-GOSISDBHSA-N 475.615 2.292 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1595776726 DNZFYNOBAZUQFW-MRXNPFEDSA-N 482.532 2.490 30 10 JEEE CS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(NC(=O)c2ccsc2)CC1 1620165120 HZIANGADAZUFCT-UHFFFAOYSA-N 484.607 2.322 30 10 JEEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1ccc(-n2cncn2)cc1 1629684170 ABJGYAKMJVXTFO-LJQANCHMSA-N 452.540 2.037 30 10 JEEE C#CCNC(=O)C1CCN(C(=O)CCC(=O)c2ccc(I)cc2)CC1 1639425110 JXYXVABSIMIYPB-UHFFFAOYSA-N 452.292 2.242 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1CCCn1cc(CO)nn1 1689837903 PAOQSJAYPWUWTG-GFCCVEGCSA-N 450.366 2.401 30 10 JEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1689916518 MEUOBAFHMBHTID-FQEVSTJZSA-N 484.626 2.344 30 10 JEEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1689932378 ZESRLLFLMYMWBT-PMACEKPBSA-N 485.589 2.311 30 10 JEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1C[C@](C)(O)CCOC)[C@@H]1CCS(=O)(=O)C1 1689982796 USUMSENSRMEWAD-WIYYLYMNSA-N 466.991 2.013 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1690113317 GLVRPIMKZASWQH-QGZVFWFLSA-N 492.443 2.288 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)ccc3Br)n2CCCC(=O)N(C)C)CC1 1690114897 KMJLLFBSRMCLSQ-UHFFFAOYSA-N 489.418 2.340 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cn(C)c3ccccc23)nnc1N(C)CCNS(C)(=O)=O 1690242944 FKIPEXAPAYUZEF-DYESRHJHSA-N 472.615 2.403 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCO[C@@H](C#N)C1 1690675998 MPAXHJAHACMUER-AWEZNQCLSA-N 451.314 2.195 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC[C@H]2[C@@H]2CCCO2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1690677026 KZYJWSSOGBLYKU-RDGPPVDQSA-N 474.606 2.499 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](C)CNC(=O)OC(C)(C)C)C1 1690709330 FRQODIGEYMUHNH-ROUUACIJSA-N 462.595 2.343 30 10 JEEE CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCO[C@@H]2C(C)C)CCO1 1690957299 GBNAKXKZUHERLT-BHDDXSALSA-N 452.559 2.219 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1C[C@H](C)N(C)C1CC1 1692530745 BFIRXUKQIROZKW-FQEVSTJZSA-N 478.645 2.483 30 10 JEEE C[C@@H]1CC[C@@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCS(=O)(=O)CC2)C1 1693604874 HYPWQHLCAKSLRF-QZTJIDSGSA-N 473.599 2.293 30 10 JEEE CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCC[C@@H](O)C1)[C@@H]1CCS(=O)(=O)C1 1695566952 ASNOIXCLOVQRDW-VAMGGRTRSA-N 473.599 2.293 30 10 JEEE CCO[C@@]1(c2nnc(N3CCC(Oc4cccc(C#N)c4)CC3)n2CCC(=O)N(C)C)CCOC1 1696060986 HSSKSSZDDIUEIQ-VWLOTQADSA-N 482.585 2.328 30 10 JEEE COCCN(CCC#N)c1nnc(-c2cnn(C)c2)n1C[C@H]1CCCN1C(=O)OC(C)(C)C 1698060366 DCJUOBMMCOECSW-GOSISDBHSA-N 458.567 2.445 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](C(C)C)N1CCOCC1 1705489935 ZLODBHDATIYQPJ-ICSRJNTNSA-N 473.647 2.053 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cscc1C(F)(F)F 1705495909 XLDLHRSTCDJKDV-WFASDCNBSA-N 477.534 2.198 30 10 JEEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)OCC)CC1 1705534825 SNFZDMVNOCQKGS-GOSISDBHSA-N 476.578 2.278 30 10 JEEE C#CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CC1(OCCOC)CCOCC1 1705544606 WZBUQOLKLINPAP-UHFFFAOYSA-N 452.353 2.317 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CC[S@](=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1705567897 BVWKRZAAWIPTSQ-UPTQXZAWSA-N 496.630 2.170 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCOc2ncccc2F)CC1 1705636242 CPANKCPEBKCMFD-UHFFFAOYSA-N 466.517 2.331 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1705791949 IYGZVQMTTPVDOE-LJQANCHMSA-N 458.607 2.045 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCN([C@@H](C)c2nc(CC)no2)CC1 1705896822 ZGFQSSKZSKQVKW-KRWDZBQOSA-N 480.573 2.085 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCCC[C@@H](C)C1 1705933425 GQXIAVHWEVNVAN-QGZVFWFLSA-N 456.576 2.148 30 10 JEEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nccc(C(F)F)n2)C1 1710345340 DMOOZHZVCQNYPS-INIZCTEOSA-N 488.524 2.111 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nc2cc(Cl)ccc2s1 1722295194 JNVDNZOYUNCTCP-CJNGLKHVSA-N 495.030 2.380 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1722363818 VVNJAYVCIITCIH-GDBMZVCRSA-N 452.964 2.269 30 10 JEEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1CCC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1722372209 RGSXKCUSTAIAMP-LJQANCHMSA-N 460.600 2.262 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1cccc(OCC(N)=O)c1 1722387243 CNYARIOOCKKKCV-NRFANRHFSA-N 492.580 2.335 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(N2CCSCC2)CCCC1 1722396447 IKHMLCPDUIEWKO-FQEVSTJZSA-N 475.684 2.005 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CN(CC(C)C)CCO1 1722404995 ISHSKIFSCYJVPL-FQEVSTJZSA-N 459.616 2.165 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1C[C@]1(N2CCOCC2)CCSC1 1722423526 GZOPOUHKOROKDT-JOCHJYFZSA-N 477.034 2.287 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cn(CCCC)nc2C)CC1 1722566588 VDJCPWSRGQAWDB-HXUWFJFHSA-N 477.635 2.121 30 10 JEEE C=CC[C@@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CO)CC1)c1ccccc1 1722596022 BBCXCPWHFHCUDZ-VXKWHMMOSA-N 489.642 2.180 30 10 JEEE Cc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCCN2CCCO[C@H](C)C2)cc1 1724437763 GPVXZCFXVLPEKN-IRLDBZIGSA-N 454.575 2.395 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1Cc1ncccc1C)[C@@H]1CCS(=O)(=O)C1 1740623791 AXNAATMMQGPJPO-GOSISDBHSA-N 456.597 2.012 30 10 JEEE C#CCN(c1nnc(Cc2c[nH]c3ccccc23)n1CCC(=O)N[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1740623910 CNZCTUYUFFOYFV-ICSRJNTNSA-N 496.637 2.282 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@](C)(OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1740626970 DINKGDOJNSPPIE-HYBUGGRVSA-N 483.594 2.171 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1conc1COC 1740644479 HVUSMHVDDYBOCP-MAEOIBBWSA-N 454.531 2.304 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(CC(=O)NCC)CC1 1740761331 VVINIJRXKRNMEV-HYBUGGRVSA-N 470.593 2.247 30 10 JEEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(O)(c2c(F)cccc2F)CC1 1740787468 ISPCGRYOWJDEEL-INIZCTEOSA-N 499.584 2.247 30 10 JEEE C=CC[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](OC)[C@H](OC)C1)c1ccccc1 1740856807 XJXWPDAILLOMRG-NCYKPQTJSA-N 460.600 2.390 30 10 JEEE C=CCCCn1c(-c2ccc(Br)cc2Cl)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1740869337 KEHHHHNXBGSQBY-AWEZNQCLSA-N 493.793 2.474 30 10 JEEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(O)(C(F)(F)F)CC1 1740943704 GAOLAGOMHSGNRQ-UHFFFAOYSA-N 459.494 2.275 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCCN(Cc2nc([C@@H](C)OC)no2)CC1 1740955619 AFNVABROTZREGC-GOSISDBHSA-N 480.573 2.050 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCN(C(=O)c2ccco2)CC1 1740989625 SUQFBFOMUXCZEU-UHFFFAOYSA-N 473.530 2.240 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2CCNC(=O)c2cccs2)c1 1748692047 CBGDRZFJSIJBGD-UHFFFAOYSA-N 486.561 2.283 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3noc4c3COCC4)n2C[C@@H](C)COC)c1 1748692054 CIDMAKIEKPCIIH-MRXNPFEDSA-N 464.526 2.345 30 10 JEEE C#CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 1748738429 CDTFZQMMKZUMJP-UHFFFAOYSA-N 481.022 2.284 30 10 JEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1748784208 FMUQJGLIAJOTNY-HDICACEKSA-N 473.647 2.195 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CC1(c2ccccn2)CCC1)[C@@H]1CCS(=O)(=O)C1 1748802646 QRZWYAJAIGPFLK-HXUWFJFHSA-N 498.653 2.340 30 10 JEEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(C)cc1F)[C@H]1CCS(=O)(=O)C1 1748804755 KONKJPKBOOVBGT-GBXCKJPGSA-N 490.601 2.441 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCc1ccccc1OC(F)F)[C@@H]1CCS(=O)(=O)C1 1748817027 CMRKVTVGDMXWHP-QZTJIDSGSA-N 480.537 2.253 30 10 JEEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(-n2nc(C)cc2C)nc1 1748830237 RMVNTGJVODKSND-VWLOTQADSA-N 459.554 2.249 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1Cc1ccccc1S(=O)(=O)N(C)C 1748852921 QQNSRQPOYFXBCC-UHFFFAOYSA-N 468.608 2.005 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnn(C)c3)n2C[C@H]2CCCCS2)n1 1748970884 WFSLVIPMMXBXNW-HXUWFJFHSA-N 454.604 2.447 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H](c2c(F)cccc2F)N(C)C)CC1 1748979433 ZNAVPKCEDFKSAZ-PXDATVDWSA-N 488.583 2.267 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CC(=C)Cl)CC1 1749003293 DTWSAXFCVVNXDQ-UHFFFAOYSA-N 490.033 2.265 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2CCS(=O)(=O)Cc2ccccc2)CC1 1749010845 XYJMWRUTSHSFHA-UHFFFAOYSA-N 469.611 2.126 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)cc2)n1CCS(=O)(=O)NC 1749059118 WLEFVUZCILILOD-GOSISDBHSA-N 452.378 2.249 30 10 JEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C[C@@H]2CCOC2)C1 1749428093 YOJZPGGNMPOQDZ-AABGKKOBSA-N 467.636 2.220 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1749690126 NIZJDBIMGUCVIY-OAQYLSRUSA-N 468.602 2.042 30 10 JEEE CC(C)[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1750584430 ICZBCVOMOFDURO-AREMUKBSSA-N 489.580 2.493 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCC1CCN(CC(F)(F)F)CC1 1760097154 ASWPLQKLIGSFHB-GJZGRUSLSA-N 464.558 2.011 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)O[C@@H](c2ccsc2)C1 1760155384 XAJCMFDTJFNIQA-UHOSZYNNSA-N 479.628 2.052 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1CCCC(=O)NC1CC1)[C@H]1CCS(=O)(=O)C1 1760182402 FKCJZTCSCAGWGK-KRWDZBQOSA-N 493.992 2.423 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2CC[C@H](C(F)F)N2CCOCC2)CC1 1760254964 RAKKQTWPBTUUEN-OAQYLSRUSA-N 474.556 2.065 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)c2nc(C)cs2)CC1 1760264661 BHDWZQPDRNENHJ-MRXNPFEDSA-N 469.615 2.049 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCc2ccc(OC)c(F)c2)CC1 1760271257 RSKYZDKAODEZET-UHFFFAOYSA-N 493.587 2.496 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CC(C)(C)N2C[C@@H](C)O[C@H](C)C2)CC1 1760272116 ZKAATSHAUPGYKV-NHCUHLMSSA-N 493.656 2.118 30 10 JEEE C=C(Cl)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1760372972 CKDPHFFTVILJLW-OAHLLOKOSA-N 476.990 2.441 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCS(=O)(=O)c2ccccc2)CC1 1760402331 KHKZGPBUAXWSFG-GOSISDBHSA-N 464.613 2.057 30 10 JEEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1760428395 VHDCLFJOKOHPFA-MOPGFXCFSA-N 451.637 2.226 30 10 JEEE C=CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1Cc1nnnn1CC1CC1 1760463251 WWMCLOUFTYSDNJ-UHFFFAOYSA-N 457.583 2.460 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2coc(-c3cccs3)n2)C1 1760535644 URURHYFTERVPKX-ZBFHGGJFSA-N 478.600 2.434 30 10 JEEE CCc1ccccc1OCc1nnc(N2CC[C@@](F)(C#N)C2)n1CCS(=O)(=O)NC(C)C 1762661201 ATBGNQZJMPZANX-OAQYLSRUSA-N 464.567 2.189 30 10 JEEE CC[C@@H]1CCCCN1CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)NC)CC1 1763336450 IDTLFWQICPBRLN-OAQYLSRUSA-N 480.617 2.455 30 10 JEEE CCCN(CCC)CCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@H](C#N)C1 1764354668 CUUDSCSYNMCUKJ-LJQANCHMSA-N 478.601 2.433 30 10 JEEE CN(C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@](C)(O)c2ccco2)CC1)S(C)(=O)=O 1767000233 BMFZWCAUICOJKX-HSZRJFAPSA-N 484.582 2.178 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1772567223 XWRMQXLPJOAXGW-HXUWFJFHSA-N 453.522 2.159 30 10 JEEE C=CCn1c(C(=O)N2C[C@H](C)O[C@@H](C)C2)cc2c(NCCc3ccc(S(N)(=O)=O)cc3)ncnc21 1875231152 BVKPRCWVMIZDNA-IRXDYDNUSA-N 498.609 2.169 30 10 JEEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)N3CCN(c4cc(N5CCOCC5)ncn4)CC3)n[nH]2)c1C 1890188917 HDAJZILIUKBJNV-UHFFFAOYSA-N 491.600 2.055 30 10 JEEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)CN3C(=O)c4ccccc4S3(=O)=O)ccc21 1891462513 YBCCIAOKVFJXGO-UHFFFAOYSA-N 469.519 2.407 30 10 JEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](NC(=O)OC(C)(C)C)CC[C@H]1C(=O)O 2068508698 DRHFQBAPDSDXKP-JYJNAYRXSA-N 453.536 2.262 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2255947611 BOTARFKMASVTSY-MRXNPFEDSA-N 452.382 2.274 30 10 JEEE CC1(C)OB(c2c(NS(=O)(=O)CCN3C(=O)c4ccccc4C3=O)ccc(F)c2F)OC1(C)C 2256224307 RHAAEMDXMCTLLQ-UHFFFAOYSA-N 492.309 2.302 30 10 JEEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)N(C)Cc1csc(B2OC(C)(C)C(C)(C)O2)c1 2256624669 OOOMFFGQPCHJBW-CZUORRHYSA-N 454.398 2.280 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)CC[C@H]2CO)C1 2266536603 UHGHNYHQMSUMQV-SNTJIJGESA-N 465.591 2.417 30 10 JEEE CN([C@H]1CC[C@H]1OCc1ccccc1)S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2267465973 SMOHWYFWOIWVFF-RBUKOAKNSA-N 461.393 2.088 30 10 JEEE Cc1c(C(=O)N[C@H](C)CCN(C)C(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2267505556 KBMQDCLWFSJHDP-CQSZACIVSA-N 450.389 2.403 30 10 JEEE COC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccc1OC 2268609010 WNYXTMFDRKAQAN-MRXNPFEDSA-N 450.341 2.473 30 10 JEEE COC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1OC 2268688269 PWVXHFMQCZRZTK-MRXNPFEDSA-N 450.341 2.473 30 10 JEEE CN(C)CCN(CC(=O)NCc1sccc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2268723713 ZDTHKUTYFXWWHF-UHFFFAOYSA-N 467.441 2.462 30 10 JEEE Cc1c(C(=O)N[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281801687 ULXOHCHTZSPGES-GJZGRUSLSA-N 462.400 2.449 30 10 JEEE Cc1c(C(=O)N2CCC3(CN(C(=O)OC(C)(C)C)C3)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281805586 AZOMIJUVKFRKBI-UHFFFAOYSA-N 460.384 2.111 30 10 JEEE COC(=O)C1(NC(=O)c2cc(C)sc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2281998793 UEYVBYKHLHMCTC-UHFFFAOYSA-N 480.392 2.248 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2CCCN(C(=O)OC(C)(C)C)CC2)n1 2282035578 XIHBFEKPVPZLLI-INIZCTEOSA-N 462.400 2.486 30 10 JEEE C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1N(C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282036863 OMWPQZIIHFNRFU-RDJZCZTQSA-N 462.400 2.437 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)C1CCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CC1 2282044014 QRPZRPFYIXYEDM-HNNXBMFYSA-N 462.400 2.485 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@]2(NS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282352926 COOFSKQJJASSQT-OYHNWAKOSA-N 479.408 2.059 30 10 JEEE Cn1cc(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 2282525993 UKRCRHGYMXZVHZ-MUJYYYPQSA-N 460.384 2.380 30 10 JEEE Cn1cc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC(C)(C)C2)nc1B1OC(C)(C)C(C)(C)O1 2282554157 ZEPKAYZABSVBNM-HNNXBMFYSA-N 462.400 2.485 30 10 JEEE Cc1c(C(=O)N[C@@H](C)CC2CN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282592951 KHSQAQQBJSPFEK-AWEZNQCLSA-N 462.400 2.403 30 10 JEEE CC(C)(C)OC(=O)N1CCN([S@](C)(=O)=NC(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)CC1 2282633858 DLFPOEYZEAONGN-MGBGTMOVSA-N 483.396 2.285 30 10 JEEE Cc1cc(S(=O)(=O)N2C[C@H]3C(NC(=O)OC(C)(C)C)[C@@H]3C2)ccc1B1OC(C)(C)C(C)(C)O1 2282832228 LTOKKCWEVIQFBZ-IAGOWNOFSA-N 478.420 2.438 30 10 JEEE CC1(C)OB(c2ccc(O)c(C(=O)N3CCC[C@H](CNC(=O)C(F)(F)F)C3)c2)OC1(C)C 2282977285 XVHVKGLFJSREHQ-CYBMUJFWSA-N 456.270 2.222 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@]2(CCN(C(=O)c3nccnc3B3OC(C)(C)C(C)(C)O3)C2)C1 2283060709 NPERRIXYCAWPMX-QHCPKHFHSA-N 458.368 2.249 30 10 JEEE CCOc1ccc(C=NNc2nc3c(c(O)nc(=O)n3C)n2C[C@@H](O)COc2ccc(C)cc2)cc1 2327754101 QVVQUVGNEKZMFY-GOSISDBHSA-N 492.536 2.429 30 10 JEEE COCCc1nnc(SCC(=O)Nc2nccs2)n1N=Cc1ccc(O)c([N+](=O)[O-])c1 2331266792 IGJKBTKFRYNTPW-UHFFFAOYSA-N 463.501 2.150 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@H]2NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2359273632 LMACJXRWOHZRTH-KKXDTOCCSA-N 482.383 2.411 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@@](C)(CNC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C1 2362571957 VBNCUQCMUZANJJ-QFIPXVFZSA-N 481.424 2.446 30 10 JEEE CN(C[C@@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CC12CC2)C(=O)OC(C)(C)C 2366024176 RQUXIYABKDDVKK-OAHLLOKOSA-N 460.384 2.428 30 10 JEEE CCOC(=O)N1CCC(NC(=O)c2cccc(NC(=O)Cn3c(C)cc(C)c(C#N)c3=O)c2)CC1 21354278 ONMWCPSBERZKSF-UHFFFAOYSA-N 479.537 2.326 30 10 JEEE N#Cc1ccc(Cl)cc1NC(=O)COC(=O)/C=C\c1ccc(S(=O)(=O)N2CCOCC2)cc1 33891856 POOCIMXXWBMEMT-BAQGIRSFSA-N 489.937 2.428 30 10 JEEE N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2cnn3ccccc23)c(=O)n1Cc1cccs1 729670427 RQMTVGMJHOAHPT-UHFFFAOYSA-N 475.599 2.229 30 10 JEEE N#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC(O)(C(=O)O)C1 757451346 XSLIDCGASBZRDQ-NRFANRHFSA-N 463.490 2.245 30 10 JEEE C=CCCC[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1)C(=O)OC 1155474600 HEZKPIKGCKYUQV-MAUKXSAKSA-N 453.517 2.010 30 10 JEEE N#Cc1ccc(OCC(=O)N2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)c(F)c1 1188960386 FWHAWCGYEDUBHY-UHFFFAOYSA-N 455.870 2.402 30 10 JEEE C#CCN(C(=O)NC1CCN(Cc2coc(-c3ccccc3)n2)CC1)[C@@H]1CCS(=O)(=O)C1 1246167855 NJANZPDRGYTKOJ-OAQYLSRUSA-N 456.568 2.138 30 10 JEEE C#CCn1ccc(CN(CC)C(=O)N[C@H]2CC3(CN(C(=O)OC(C)(C)C)C3)n3ccnc32)n1 1251324018 FHXHEOZYZYTSTC-SFHVURJKSA-N 453.547 2.335 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1c(C)nn(C)c1C 1286279193 KDDCAQLPCBBUQB-HNNXBMFYSA-N 455.588 2.052 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)c1ccccc1F 1286296250 NLWYAGGDDNGZAD-APWZRJJASA-N 463.579 2.186 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](c2cccc(OC)c2)N(C)C)CC1 1286481974 LLMAGRYDYZQXOQ-DEOSSOPVSA-N 459.598 2.331 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCC(C)(C)O)CC1 1286490570 YHDVWRBZNQQNFM-UHFFFAOYSA-N 461.570 2.258 30 10 JEEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1286506249 RKIAXMRPCBUJRP-DEOSSOPVSA-N 482.610 2.058 30 10 JEEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@@H](SCC)C1 1286508375 IDCQFRZQNLZUQL-MSOLQXFVSA-N 487.717 2.089 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@H](C)c2ccsc2)CC1 1286509531 SNIFQMHNYWTDFA-MJGOQNOKSA-N 479.697 2.491 30 10 JEEE C=C(Br)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1286530198 IEGUTQFJXPFAJP-UHFFFAOYSA-N 497.357 2.191 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCN(CC(C)C)CC1 1286822604 LIEWFAIEFHTXOZ-UHFFFAOYSA-N 452.650 2.013 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1C[C@@H](C)[C@@H](C)C1 1286822694 NHELFVGCSHQOQS-SZPZYZBQSA-N 486.686 2.336 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCC(=O)N1CCCCC1 1286964712 DGTLYSLVRCWCHA-KRWDZBQOSA-N 462.558 2.190 30 10 JEEE CCOC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCCC2)CC1 1296381313 AKYZKNFEPSYLFN-UHFFFAOYSA-N 453.547 2.103 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](c2cccc(F)c2)C1 1300412100 XZTKEQNLTREOBZ-QUCCMNQESA-N 461.563 2.157 30 10 JEEE C#CCCCn1c(N2CCN(c3nc(CC)ns3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1300425833 YOAFZIVNIYYASW-JOCHJYFZSA-N 459.620 2.473 30 10 JEEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1CCC(=O)Nc1cccc(Cl)c1C 1300545121 KYENPTPFKNPSGV-UHFFFAOYSA-N 452.946 2.464 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC[C@H]2CCOC2)CC1 1300718869 HCJTTWLNGHBJPH-SFHVURJKSA-N 467.570 2.355 30 10 JEEE C#CCSCCn1c(N2C[C@@H](C)OC3(CCOCC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1300776189 FZRQXINLOOKQOQ-XXBNENTESA-N 464.632 2.459 30 10 JEEE COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](c2cccs2)N(C)C)CC1 1300881650 ANBCLBCNSCHMSZ-FQEVSTJZSA-N 479.610 2.476 30 10 JEEE C=C1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CCS(=O)(=O)N(C)C)CC1 1301072203 FGJICFQWNAZWEK-UHFFFAOYSA-N 465.576 2.019 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccc(C(=O)NCC)c2)CC1 1301124184 HAECPPOOZKCGIG-FQEVSTJZSA-N 457.600 2.381 30 10 JEEE C=CCCOCCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1301246323 RPQQCMIGXZYEIM-APWZRJJASA-N 457.531 2.490 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)ccc2C)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1301592610 AREOLCMYIJHVQT-WOJBJXKFSA-N 487.626 2.322 30 10 JEEE CC(C)C(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2ncccc2F)CC1 1302469632 CPBPBBFUUODBGP-UHFFFAOYSA-N 492.559 2.362 30 10 JEEE Cc1cccc(CCCn2c(C(=O)NC(C)C)nnc2N2CCN(c3nccnc3C#N)C[C@H]2C)n1 1304481705 HOIABWRUYRQPRM-LJQANCHMSA-N 488.600 2.129 30 10 JEEE CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N(O)Cc3ccccc3Cl)cc2)CC1 1306892325 CZBLXHVYRQQDBA-UHFFFAOYSA-N 451.932 2.224 30 10 JEEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1CCc1cn[nH]c1)[C@H]1CCS(=O)(=O)C1 1358965936 DVWMXXKUILYKDF-FQEVSTJZSA-N 468.583 2.066 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@]1(N(C)C)CCSC1 1359002621 GXTBADLYUSGKKK-JOCHJYFZSA-N 476.672 2.092 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(C(=O)N3CCCC3)n2Cc2ccc(F)cc2)n1 1359027313 DWHQJRQOINYPKH-UHFFFAOYSA-N 465.533 2.184 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1CCS(=O)(=O)CC1CC1 1359073279 KALHMMWRUBEIKN-OAQYLSRUSA-N 461.613 2.087 30 10 JEEE C=C(C)COCCn1c(N2CCC[C@H](C(N)=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1359137652 WKXNTWPZMPILRR-OKZBNKHCSA-N 462.595 2.343 30 10 JEEE C=CCCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1359200219 WIUOBBZWJMJCQE-UHFFFAOYSA-N 482.585 2.246 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(=O)Nc2ccccn2)n1C[C@@]1(O)CCOC1 1359254147 HEFJKMMOUFMVJQ-DEOSSOPVSA-N 464.526 2.278 30 10 JEEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(=O)c2ccc(Cl)cc2)CC1 1359287736 SJYOOLWZRFPIDH-KRWDZBQOSA-N 463.991 2.372 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1359293623 VRDZOAFXJBKAPH-JKSUJKDBSA-N 460.510 2.136 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 1359296718 RTSLYRINTPBUGB-INIZCTEOSA-N 484.557 2.327 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CC(C)(C)O[C@@]2(C[C@@H]3CC[C@H]2C3)C1 1359326606 FEYMKDVLIUGNLJ-STSQHVNTSA-N 479.647 2.191 30 10 JEEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2cc(F)cc(F)c2C1 1359343273 POMDBODVYPSBQQ-LJQANCHMSA-N 499.609 2.371 30 10 JEEE CO[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1)C(C)C 1503983029 AQZOTMCVXVTJBN-FCHUYYIVSA-N 486.642 2.045 30 10 JEEE COc1ccccc1-c1nnc(N(C)[C@H](C)CC#N)n1CCS(=O)(=O)N1CCSCC1 1504370669 HOJGKUZWAXWCQU-MRXNPFEDSA-N 464.617 2.071 30 10 JEEE N#CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCS(=O)(=O)c2ccccc2)CC1 1505319593 CBUJQAZDKDSBNR-UHFFFAOYSA-N 465.539 2.139 30 10 JEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1nc(O)c2sccc2n1 1507555780 BLNAEWWPGVIKMB-CYBMUJFWSA-N 463.589 2.039 30 10 JEEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1507570635 RSUZCXSXIPDYMR-UHFFFAOYSA-N 461.636 2.194 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccccc1)N1CCCC1 1507660722 YJELNLNRMDHAEI-UNMCSNQZSA-N 468.627 2.188 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@@]2(C)CN(C)C2=O)CC1 1507736897 UVNCRQZQCOJQIW-CRICUBBOSA-N 482.560 2.001 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCS(=O)(=O)Cc1ccccc1 1507772373 JPYDCLBKFZJEIU-NFBKMPQASA-N 490.651 2.177 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1507781585 CUZGCYBYJFVYBR-ZNMIVQPWSA-N 481.395 2.441 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@](C)(C(=O)NC)C1 1508077897 RMTNJZOJLCZPOG-NRFANRHFSA-N 475.391 2.281 30 10 JEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N(C)C[C@@H]1COc2ccccc2O1 1508086419 YVQUUDKVPLWXDF-QGZVFWFLSA-N 454.556 2.212 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCS(=O)(=O)C2)C1 1508129892 FXAXUXZNGJEZIL-PZJWPPBQSA-N 471.583 2.335 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Br)nnc1N1CCN(C(=O)OC)CC1 1508137274 YJMMKZMTYTXBOP-UHFFFAOYSA-N 498.403 2.197 30 10 JEEE CC(C)COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1509446809 HJOPRNDVUWHOMK-KOSHJBKYSA-N 468.558 2.271 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)Nc3c(C#N)cn(CCOC)c3C(=O)OCC)cc2C1=O 1515222237 QFYVVFFUVAMDOJ-UHFFFAOYSA-N 450.451 2.217 30 10 JEEE N#Cc1ccc(OCC(=O)N2CCN(CC(=O)Nc3ccc(Br)cc3)CC2)cc1 1517210909 DQMFHTNVKAGPRM-UHFFFAOYSA-N 457.328 2.482 30 10 JEEE CC[C@H](C)[C@@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)C(=O)N(C)[C@H](C#N)CC 1530063967 BESFZUYJJZBVTH-SUNYJGFJSA-N 456.996 2.495 30 10 JEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1C[C@@H]1CCCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 1539206427 OYCQUZBPBFUHSJ-QFBILLFUSA-N 497.042 2.050 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccc(OC)cc1C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1539223055 ZBEZUYUXDLCGQK-DLBZAZTESA-N 498.527 2.484 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@@](C)(O)c2cccs2)CC1 1539484673 YONDAPNCHPSJNE-XMMPIXPASA-N 464.595 2.199 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCO[C@H](c2ccc(F)cc2F)C1 1540873196 QRZJYDOBURKIBZ-FQEVSTJZSA-N 454.481 2.422 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 1540901204 WMKVDIKCZVFUHB-DLBZAZTESA-N 478.619 2.234 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCC(C)(C#N)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1540908974 TWUOIPAKUACVCH-OAQYLSRUSA-N 451.593 2.050 30 10 JEEE CC(C)C(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCC2(O)CCOCC2)CC1 1541259598 CUKAAWIZEYPDLI-UHFFFAOYSA-N 466.586 2.443 30 10 JEEE COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1c(F)cccc1Cl 1555557959 HVJZLCHOUJMTPX-AWEZNQCLSA-N 455.943 2.387 30 10 JEEE N#Cc1ccc(CN2CC[C@@H](NC(=O)N3CCCN(C(=O)CC4CCCC4)CC3)C2=O)cc1 1564689449 HBYKZPZELOKOBG-JOCHJYFZSA-N 451.571 2.483 30 10 JEEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 1568914749 HNYYXAKUBYVTIZ-LJQANCHMSA-N 454.980 2.362 30 10 JEEE C=CCOCCCNC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1 1586439849 SIISMCMZEGZXFG-UHFFFAOYSA-N 451.589 2.020 30 10 JEEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1cccc(CN2CCO[C@@H](C)C2)c1 1587662367 NCNLHHDZVBFMQT-PMACEKPBSA-N 450.587 2.127 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCCc1cccc(C)n1)[C@@H]1CCS(=O)(=O)C1 1588054211 LLRADOFKASVBOT-PZJWPPBQSA-N 457.600 2.135 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1nnc(C)s1 1588233897 VFQLBXFPVHZTHS-GOSISDBHSA-N 485.614 2.452 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCc2n[nH]c(C)n2)CC1 1588890955 JKBCJJUJLNOUCQ-INIZCTEOSA-N 480.548 2.192 30 10 JEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](c2nc(C)cs2)C1 1588984703 JMDBFASCKWKVMU-HZPDHXFCSA-N 468.674 2.404 30 10 JEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1CCC2(CC1)OCCO2 1594626712 OGAOPVROHBMPKI-IBGZPJMESA-N 483.635 2.089 30 10 JEEE Cc1nc(C#N)c(N2CCN(C(=O)CN[C@](C)(CO)c3cccc(C(F)(F)F)c3)CC2)o1 1647812517 AQVNPUBYXRYWSB-HXUWFJFHSA-N 451.449 2.019 30 10 JEEE C#CCN1CCC[C@@H](NC(=O)c2cc(S(=O)(=O)NC(C)(C)C)ccc2Br)C1 1651801814 KBYILFVRWSYEBD-CQSZACIVSA-N 456.406 2.353 30 10 JEEE C#CCOc1ccccc1CNS(=O)(=O)C[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 1661583507 LDCBVDNDEYFSSW-NRFANRHFSA-N 458.536 2.156 30 10 JEEE CCS(=O)(=O)N(C)c1ccc(NC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 1663464471 GFSONAZCOYSLSE-FQEVSTJZSA-N 455.540 2.267 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCC(=O)N1CCCCC1 1689831402 KORGASRZJYHTSF-KRWDZBQOSA-N 471.631 2.407 30 10 JEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1689916519 MEUOBAFHMBHTID-HXUWFJFHSA-N 484.626 2.344 30 10 JEEE C#CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1689921029 RILUIDKLFCRJOM-SFHVURJKSA-N 479.006 2.038 30 10 JEEE C#CCN(c1nnc(-c2ccc(Br)cc2)n1CCOCC)[C@@H]1CCS(=O)(=O)C1 1689981858 CITUGUVWMJQMPV-QGZVFWFLSA-N 467.389 2.371 30 10 JEEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCOc1ccccc1C(C)C)[C@@H]1CCS(=O)(=O)C1 1689987884 DTGFYZWEOMBUCS-UYAOXDASSA-N 485.610 2.058 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1CCC(=O)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1689992473 LDVQDORKFUYWLL-HXUWFJFHSA-N 487.601 2.037 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C(=O)N(C)c2ccccc2)C1 1690312956 HOJJXVFKGHIMSC-PMACEKPBSA-N 487.626 2.262 30 10 JEEE C=C(Cl)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1690348015 YESWBJLDXBHWGM-UHFFFAOYSA-N 478.931 2.171 30 10 JEEE C=CCN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCN1CCCS1(=O)=O)C1CC1 1690537952 YNFCJMGIUXZOCW-UHFFFAOYSA-N 479.006 2.052 30 10 JEEE C=CCn1c(COc2ccccc2OCC)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1690652341 DXTSEKGZBMDILP-LJQANCHMSA-N 491.614 2.073 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(C(=O)NCCCC)CC1 1690672211 LNVGCQMASBQMGM-NRFANRHFSA-N 482.585 2.226 30 10 JEEE COc1ccc(CCc2nnc(N3CCN(c4nccnc4C#N)C[C@@H]3C)n2C[C@@H](C)N(C)C)cc1 1697407037 BULLSLGMQWAZCI-UXHICEINSA-N 489.628 2.399 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc([C@H](C)O)cc2)CC1 1705652744 LTWCICFWBWXCCB-TZYHBYERSA-N 481.597 2.070 30 10 JEEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1705691672 LFZBHZJPKSHQNS-UHFFFAOYSA-N 479.339 2.255 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@H](N2CCCC2=O)C1 1705694761 SZAUWUQEVMJWFV-LMNJBCLMSA-N 458.607 2.379 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2c(F)ccc(F)c2C1 1705725807 SQPJXAGOAKRWDS-GOSISDBHSA-N 453.515 2.028 30 10 JEEE C=CCCCn1c(-c2cnccn2)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1705816477 HUWDXGXLSHRLTB-UHFFFAOYSA-N 457.535 2.351 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1)C(C)C 1705869312 RGUXUPYPLFBKOI-WOIUINJBSA-N 464.611 2.321 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CC[C@@](F)(C#N)C1 1705934667 TWXJDOBPDUZZHE-HSZRJFAPSA-N 499.572 2.279 30 10 JEEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCS[C@H](CC)C1 1705938274 TTXSZIHHSFCANW-OAHLLOKOSA-N 469.658 2.202 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1722284027 VJTPUPGGEJECDO-QRVBRYPASA-N 463.590 2.267 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1cccc(OC)c1)N1CCCC1 1722296273 OREFHSSISIZIDL-DWLFOUALSA-N 471.627 2.484 30 10 JEEE C#CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1722325828 OUMAYUSKTOHIOR-QHCPKHFHSA-N 481.601 2.498 30 10 JEEE C#CCN(c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@H](COC)OC)[C@H]1CCS(=O)(=O)C1 1722358759 FWWCQDXTLLHNTJ-WDSOQIARSA-N 492.667 2.420 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCCOC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1722360562 VCONRRJSBDRJQZ-HXUWFJFHSA-N 488.610 2.166 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(CC)CC)n1CC1(NC(=O)OC(C)(C)C)COC1 1722466012 IZCJHLBNPKTEOR-HSZRJFAPSA-N 474.606 2.482 30 10 JEEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1722478997 DPKUBVZFQCFLHG-DVVUODLYSA-N 460.320 2.432 30 10 JEEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1722535843 PBNYAKSPZYUGFS-YADHBBJMSA-N 457.623 2.279 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2ccccc2C)CC1 1722537185 MAIRSZGEIHUSKN-QFIPXVFZSA-N 473.643 2.404 30 10 JEEE C=CCCCn1c([C@@H]2CCOC2)nnc1N1C[C@@H](C(=O)OC)[C@H](CNC(=O)OC(C)(C)C)C1 1722618109 OWDGFHHSKSTCAF-KZNAEPCWSA-N 463.579 2.498 30 10 JEEE C[C@H](CN1CCOCC1)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](C(F)(F)F)C1 1723878376 GUCNLKGPIUGHFM-XLIONFOSSA-N 494.518 2.465 30 10 JEEE CCOC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2(CS(C)(=O)=O)CC2)C1 1728709060 CBUHWAMCKZSJFI-LJQANCHMSA-N 486.598 2.356 30 10 JEEE C#CCN(c1nnc([C@H](C)OCCOC)n1Cc1cscc1C)[C@H]1CCS(=O)(=O)C1 1740617225 NZVCFNXXKVOCEV-WMZOPIPTSA-N 452.602 2.047 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1[C@@H]1C[C@H]1C)[C@H]1CCS(=O)(=O)C1 1740618555 IZFYTFSZJLCBDJ-HYVNUMGLSA-N 460.556 2.179 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1C[C@@H](OC)C(C)C)[C@H]1CCS(=O)(=O)C1 1740619706 QVMJUVRTHKFPAS-FUHWJXTLSA-N 498.447 2.344 30 10 JEEE C#CCN(c1nnc(-c2cnn(-c3ccccc3)c2)n1CCCOC(F)F)[C@H]1CCS(=O)(=O)C1 1740620682 HASLBJUWUNSCTB-IBGZPJMESA-N 490.536 2.387 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CCCN1CCCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1740625508 OGTJWWNULRLAME-RBBKRZOGSA-N 470.643 2.155 30 10 JEEE C#CCN(CC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCS(=O)(=O)N1CCSCC1 1740662643 VNQMBCVDOWZDDU-QGZVFWFLSA-N 481.619 2.395 30 10 JEEE C=C(Br)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1740736927 UFDJSTKELMHEHE-ZDUSSCGKSA-N 457.373 2.382 30 10 JEEE C=C(Br)Cn1c(N2CC[C@H](N3CCCC3=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1740749592 ZURRDGVEYOGSKW-OXJNMPFZSA-N 468.396 2.428 30 10 JEEE C=CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CCN1CCCS1(=O)=O 1740894842 JQMDAZDNAYFBFL-UHFFFAOYSA-N 470.393 2.374 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCCS(=O)(=O)C1 1740913200 AJMHUZQUJPFRGU-FQEVSTJZSA-N 487.626 2.427 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1740954715 FHEFLORBAWBARQ-BGYRXZFFSA-N 477.569 2.422 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1740959504 XXKBDUFXKFGZJV-IRXDYDNUSA-N 470.578 2.167 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H]2[C@H](C1)C2(C)C 1740992463 QPMVJNOVQZAKRP-BZSNNMDCSA-N 495.646 2.280 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@](O)(c2ccc(C)cc2)C1 1740995348 IWVABTPSLYHPPN-ZCVJKFOLSA-N 490.626 2.009 30 10 JEEE CC(C)C(=O)NCCn1c(Cc2ccccn2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1741296394 IFQSSQHIDPLILQ-QFIPXVFZSA-N 459.554 2.486 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1CC(C)(C)OCC)[C@H]1CCS(=O)(=O)C1 1748808482 CYABQJWMNCHQKJ-SFHVURJKSA-N 474.583 2.158 30 10 JEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(=O)N(C)C1CCCCC1 1748828833 NFPHSNXNVHOVML-UHFFFAOYSA-N 495.653 2.411 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cc(C)no1 1748892280 MUAAISZWAKFKNZ-IBGZPJMESA-N 454.531 2.394 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cc(Br)c[nH]3)n2CC(C)(C)O)n1 1748970646 MPWPXGJJQPKDRS-UHFFFAOYSA-N 476.379 2.289 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CC(=O)NCC2CC2)CC1 1748983601 UZWSRYABZHNBJS-UHFFFAOYSA-N 471.403 2.297 30 10 JEEE C#CCSCCn1c(COc2ccccc2CC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1749047538 YPQAPHUILOTBAX-LJQANCHMSA-N 482.610 2.259 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccccc2OCC)CC1 1749227006 XAPRJXHWVJALCH-FQEVSTJZSA-N 482.585 2.183 30 10 JEEE C=CCCOCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@](C)(C(=O)NC)C1 1749457708 OQPVDNKTBHUGHS-MHECFPHRSA-N 492.621 2.142 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(C)nn(C)c1C 1749538293 UKKPUMASBQNKDK-JOCHJYFZSA-N 499.641 2.202 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 1749657714 BOGGCDRMTWTYNR-UHFFFAOYSA-N 475.578 2.451 30 10 JEEE C=CCNC(=O)Cn1c(N2C[C@H]3CCCN3C[C@@H]2C)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1749681772 ILXICKJISMUEFJ-INDMIFKZSA-N 473.622 2.024 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN2CCCC[C@H]2C1 1749740922 KPYPOFCBJYHSMZ-XUVXKRRUSA-N 465.664 2.472 30 10 JEEE N#C[C@@]1(F)CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H]2CCCS(=O)(=O)C2)C1 1750377316 AGXFCVMKJFFMDT-KKSFZXQISA-N 494.980 2.128 30 10 JEEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H](C)CN1CCN(CC)CC1 1760179221 OYMCJMFBRKYNRZ-PCCBWWKXSA-N 473.666 2.392 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1Cc1cccnc1OC)[C@H]1CCS(=O)(=O)C1 1760186437 NJQLFZMQZXVMRJ-KRWDZBQOSA-N 487.532 2.226 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1cccc(N(C)C)c1)[C@@H]1CCS(=O)(=O)C1 1760189426 OZVXEMXLESVXDA-OAQYLSRUSA-N 450.568 2.081 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2C[C@@]2(N(C)C)CCSC2)CC1 1760264864 YEEUCQDEOBDGME-DEOSSOPVSA-N 470.643 2.058 30 10 JEEE C=C(C)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1760342164 XSDNABMTNZFSDN-JKSUJKDBSA-N 468.649 2.381 30 10 JEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H]1CCCO[C@@H]1c1ccccc1 1760510199 KOPUIWIQFBXYDT-PCCBWWKXSA-N 475.615 2.401 30 10 JEEE C=CCNC(=O)Cn1c(N2CCN(Cc3cccs3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1760528708 KNAOOLCSSNFSKE-QHCPKHFHSA-N 474.631 2.005 30 10 JEEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(COC)CCC2)C1 1765671991 IEHRGXSSLMVZPC-IBGZPJMESA-N 458.588 2.151 30 10 JEEE CCO[C@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@H](C)N2CCN(CC)CC2)CCOC1 1767449068 CTNWHXIWCAIZQN-NKKJXINNSA-N 459.639 2.086 30 10 JEEE CNC(=O)c1cccc(Cn2c(CC(C)C)nnc2N2CCN(c3nccnc3C#N)C[C@@H]2C)c1 1767641266 CUNXSMZPASAUBI-SFHVURJKSA-N 473.585 2.261 30 10 JEEE CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCCN(C)CC(F)(F)F 1767932017 GAYMVIPCXLJNLY-UHFFFAOYSA-N 466.512 2.292 30 10 JEEE COc1cc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H]2CCOC[C@H]2OC)cc(OC)c1OC 1769816802 GDHYECTTWXQTDQ-ZOUOIUENSA-N 475.521 2.464 30 10 JEEE N#C[C@@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2CCNC(=O)c2ccco2)CCO1 1771538625 GABKRBIOQBWFML-QGZVFWFLSA-N 456.890 2.262 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)c1nc(-c2ccccc2)no1 1772564401 WJHPNZAUYPNGJL-WMZOPIPTSA-N 487.586 2.087 30 10 JEEE CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CC[C@H](NC(=O)c3cccc(C#N)c3)C2)cc1 1858301880 ZVEWHDDIXWTPBN-FQEVSTJZSA-N 454.552 2.233 30 10 JEEE C=CCn1cc(OCC(=O)OCCOCC)c(=O)cc1CN1CCN(Cc2ccccc2)CC1 1870670552 BDWBBUVOISWGNY-UHFFFAOYSA-N 469.582 2.311 30 10 JEEE C=CCn1cc(OCc2n[nH]c(=N)s2)c(=O)cc1CNc1ccc(N2CCN(C)CC2)cc1 1871025619 SNMMJOZXQQKHNS-UHFFFAOYSA-N 467.599 2.241 30 10 JEEE CCCCCCCCN=c1nc(N2CCOCC2)[nH]c(=Nc2ccc3c(c2)C(=O)N(C)C3=O)[nH]1 1871631354 AKWNIJJWOKGCEK-UHFFFAOYSA-N 467.574 2.294 30 10 JEEE N#Cc1c(NC(=O)COc2nonc2C(=O)N2CCN(c3ccccc3)CC2)sc2c1CCC2 1872678889 POCSJBBGHUVAPG-UHFFFAOYSA-N 478.534 2.471 30 10 JEEE CC(C)(C)OC(=O)NC1(C(=O)NCc2sccc2B2OC(C)(C)C(C)(C)O2)CC(O)C1 2256679094 UIGHYERPNWWSMK-UHFFFAOYSA-N 452.382 2.082 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@H](CCNC(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)C1 2267001950 RWDGSWGRDCMYGS-AWEZNQCLSA-N 467.397 2.198 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CNS(=O)(=O)c3cscc3B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2267464992 SYCALNYKCPUFDF-QKDCVEJESA-N 484.449 2.439 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@H](CCNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)C1 2267558538 CZMYCYVLFNEBHN-HNNXBMFYSA-N 450.341 2.335 30 10 JEEE CON(CCNC(=O)OC(C)(C)C)S(=O)(=O)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2267707434 QQXDNXLYIXSKCX-UHFFFAOYSA-N 470.397 2.204 30 10 JEEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)C1(CO)CN(C(=O)OC(C)(C)C)C1 2268638855 KYYKBLGIKXNAIP-UHFFFAOYSA-N 466.409 2.235 30 10 JEEE CC(C)(C)OC(=O)NCC1(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)CC(F)(F)C1 2268702554 VOIWLDIDVVHGAP-UHFFFAOYSA-N 474.339 2.138 30 10 JEEE CC(C)(C)OC(=O)NCC[C@H](O)C(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)ccc1F 2268703044 ZPYBDNZGYNFKRU-KRWDZBQOSA-N 452.332 2.017 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1NC(=O)[C@@H](CCO)NC(=O)OC(C)(C)C 2268709049 JAXVAAZHSCAIRY-OAHLLOKOSA-N 450.341 2.209 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)[C@H](CO)CC1 2281823163 NXLZYMYABCREPL-RDJZCZTQSA-N 464.368 2.317 30 10 JEEE Cn1ncc(C(=O)N[C@H]2C[C@H]3C[C@H]2C[C@@H]3NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2281833150 XFAGOFYAQGKXJR-FSDCSDTHSA-N 460.384 2.141 30 10 JEEE Cc1cnc(C(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)CCO2)c(B2OC(C)(C)C(C)(C)O2)c1 2281948982 DFRWQDICCLXEFL-INIZCTEOSA-N 461.368 2.055 30 10 JEEE Cc1nn(C)c(C(=O)N[C@@H]2CCOC[C@@H]2OCc2ccccc2)c1B1OC(C)(C)C(C)(C)O1 2281991969 HZNNXFHQLNKUIM-MOPGFXCFSA-N 455.364 2.132 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCCOCCOCc1ccccc1 2282012615 YELXDBGDNAKMAT-UHFFFAOYSA-N 457.380 2.381 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)[C@H]1C1CC1 2282013024 DGHGKGYOZDKSEY-DLBZAZTESA-N 458.368 2.294 30 10 JEEE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1N(C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2282061833 PTUXEHAAITZEEB-NVXWUHKLSA-N 462.400 2.437 30 10 JEEE CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2282409421 KFTAVHIJRJKRPJ-MSOLQXFVSA-N 464.343 2.489 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@]12CCC[C@H]1CN(C(=O)OC(C)(C)C)C2 2282540872 PUIOJLRRGAQAMO-WNSKOXEYSA-N 460.384 2.239 30 10 JEEE Cc1cc(C(=O)N2CC[C@@H](CO)[C@@H](NC(=O)OC(C)(C)C)C2)oc1B1OC(C)(C)C(C)(C)O1 2282578922 XXKLABQZJYNXTM-HOTGVXAUSA-N 464.368 2.235 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(C(=O)OC(C)(C)C)[C@H]2CC[C@@H]21 2282582716 ZGYSFPYDXVHREF-IRXDYDNUSA-N 460.384 2.426 30 10 JEEE CCn1cc(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 2282586577 ACIQGKBDBOPZNY-HZPDHXFCSA-N 466.363 2.280 30 10 JEEE Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H](O)C[C@H]1CNC(=O)OC(C)(C)C 2282650754 QQTIGSFOSOPZPO-DLBZAZTESA-N 460.380 2.394 30 10 JEEE CN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(O)cc1O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2282991601 HXYAFZKFEUQGEQ-CQSZACIVSA-N 462.352 2.478 30 10 JEEE C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2cccc(B3OC(C)(C)C(C)(C)O3)c2C1 2283955150 KAWMKTPEGWFIJO-HNAYVOBHSA-N 460.380 2.145 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)CC1(F)F 2362451225 GCXIBNYUXZTYJU-CYBMUJFWSA-N 470.326 2.094 30 10 JEEE CCN1CCN(C(=O)/C(C#N)=c2\s/c(=C\c3ccc(Cl)cc3)c(=O)n2-c2ccccc2)CC1 12624741 XGNGWXNPWRLTLS-RKXACLNXSA-N 479.005 2.220 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)CS(=O)(=O)CC(=O)Nc3ccc(CC)cc3)cc21 19978092 JMGSRBPZVNNWNO-UHFFFAOYSA-N 456.520 2.397 30 10 JEEE C=CCn1c(=O)c2ccc(C(=O)NC(C)C)cc2n2c(=O)n(CC(=O)Nc3ccc(C)cc3C)nc12 64581523 PGGFGZIJJMABGD-UHFFFAOYSA-N 488.548 2.391 30 10 JEEE CCOc1ccc([C@@H]2/C(=C(/O)c3ccco3)C(=O)C(=O)N2CCN2CCOCC2)cc1OC 102529101 MJXSLKFHXXXKGB-SADKCHQCSA-N 456.495 2.441 30 10 JEEE CC(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 208072732 OTYOOLOCXXRJOS-ROUUACIJSA-N 489.426 2.020 30 10 JEEE CC(=O)N[C@H](CS)C(=O)Nc1cc(I)cc(I)c1 709782675 MSRZOKNPBGQTFF-SNVBAGLBSA-N 490.104 2.269 30 10 JEEE CCCCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccc(OC)c(F)c1 729672579 VTYWAXQRAKADIZ-UHFFFAOYSA-N 491.548 2.114 30 10 JEEE C#CCN(CC(=O)O)C(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)OCC 757310731 UJQWVLYTLUBJRW-JOCHJYFZSA-N 464.474 2.003 30 10 JEEE C#CCNC(=O)[C@@H](C)OC(=O)c1ccc(CNS(=O)(=O)c2ccc(F)c(Cl)c2)cc1 855700040 FEVVVIOPPZDNIH-CYBMUJFWSA-N 452.891 2.252 30 10 JEEE CN1C[C@H](C(=O)N2CCC(B3OC(C)(C)C(C)(C)O3)CC2)N(C(=O)OC(C)(C)C)CC1=O 1153823497 WVWNAFWJDHILPT-MRXNPFEDSA-N 451.373 2.149 30 10 JEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H]2CCCS(=O)(=O)[C@]2(C(F)(F)F)C1 1181103356 JWNYTEDSHJGZEL-QWQRMKEZSA-N 452.495 2.261 30 10 JEEE C[C@H]1C[C@H](NC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c2ccsc2S1(=O)=O 1225936352 DDMMNAGCMLAAOR-NEBZKDRISA-N 454.574 2.413 30 10 JEEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC2(CC1)COC(=O)N2 1286338609 OFDJWMITBAFJQY-UHFFFAOYSA-N 456.934 2.354 30 10 JEEE C#CCN(c1nnc(CSc2ccc(C)cc2)n1CCc1n[nH]c(C)n1)[C@@H]1CCS(=O)(=O)C1 1286395017 KYOZDAUJRQOFGO-GOSISDBHSA-N 485.639 2.175 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2Cc2cc(Cl)c3c(c2)OCCO3)CC1 1286471532 LMXKFKHSFMXVAC-KRWDZBQOSA-N 475.977 2.230 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCCC(=O)NC2CC2)CC1 1286472709 CLVVIFBONJIUCY-UHFFFAOYSA-N 458.513 2.361 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCNC(=O)C2CC2)CC1 1286487045 CKSCWNLPKLEQIW-QGZVFWFLSA-N 482.560 2.049 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2C[C@H]2COCCO2)CC1 1286489182 INDMCPVKWXXRRK-NRFANRHFSA-N 497.596 2.124 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2CC2CCN(C(C)=O)CC2)CC1 1286491479 SZOONKGHVMZRJD-UHFFFAOYSA-N 492.624 2.102 30 10 JEEE C#CCSCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1286505586 FQRUNKRHYZDYLQ-UHFFFAOYSA-N 489.045 2.062 30 10 JEEE C#CCSCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC(C(N)=O)CC1 1286505784 ASRRQXNBVMSADK-SFHVURJKSA-N 476.647 2.461 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(c2cnn(CC)c2)CC1 1286509468 QUVLIQZAZLAZSU-SFHVURJKSA-N 462.645 2.147 30 10 JEEE C=C(C)COCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1286606778 AJGMXZMAFSPNLY-IBGZPJMESA-N 489.646 2.136 30 10 JEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(F)(F)C2(OC)CCOCC2)CC1 1286651949 QLQLGCOAGMXFEG-OAHLLOKOSA-N 477.578 2.122 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCNS(C)(=O)=O)CC1 1286665606 LWKJUDIENMIZAN-KRWDZBQOSA-N 468.624 2.302 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](N2CCCCC2)C1 1286815218 OXDPOVVDXTYSET-NRFANRHFSA-N 454.600 2.482 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCN([C@H](C)c2nccs2)CC1 1286821857 CFUFAHXIPNNIMN-GOSISDBHSA-N 487.655 2.204 30 10 JEEE C#CCCN1CCN(C(=O)[C@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc(F)cc2)CC1 1292439744 JMNPWCOTNVDBMC-HSZRJFAPSA-N 455.555 2.109 30 10 JEEE CCNC(=O)C(C)(C)Cn1c(N2CCN(c3nccnc3C#N)C[C@@H]2C)nnc1C(C)(C)C 1296250775 DWWRJTOFXHIVKD-INIZCTEOSA-N 453.595 2.115 30 10 JEEE CCOc1cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)ccc1OC 1296712700 CSLANUNOMTXYIG-HNNXBMFYSA-N 462.576 2.084 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1CC1(SC)CC1)[C@H]1CCS(=O)(=O)C1 1300489042 IGJRRUYHVSWFRM-KRWDZBQOSA-N 476.624 2.485 30 10 JEEE C#CCN(c1nnc(C2CC2)n1CCCc1ccc(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1300493950 XLUUSCMMQACSOY-IBGZPJMESA-N 458.584 2.432 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@](C)(O)c1ccsc1 1300517123 YEIQHWOVYCBFAK-QFIPXVFZSA-N 454.577 2.391 30 10 JEEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1300746589 UGGLWNZXXIMLMU-OAHLLOKOSA-N 469.036 2.126 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC3CC2(CNC(=O)OC(C)(C)C)C3)s1 1300784138 VZEBFPMNZFHALR-UHFFFAOYSA-N 455.602 2.271 30 10 JEEE C=C(Br)Cn1c(N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)nnc1[C@]1(OCC)CCOC1 1300861229 CPXIMMBCVRXDIQ-CPUCHLNUSA-N 465.414 2.097 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCN(Cc2nc(COC)no2)CC1 1300890354 UVXUMROLOKCMLL-GCJKJVERSA-N 459.595 2.309 30 10 JEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](C(=O)N(C)c2ccccc2)C1 1300992134 UQRFFERNTDITDB-AZUAARDMSA-N 452.559 2.311 30 10 JEEE C=C(Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1)c1ccccc1 1301009927 FSYCHKOJEGVCPI-HBMCJLEFSA-N 475.615 2.234 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1301137617 SWTJPPJRHRFCEX-QGZVFWFLSA-N 490.630 2.159 30 10 JEEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNc1nccc(C(F)(F)F)n1)C1CC1 1301326738 HPOFBECKTSDZAL-CYBMUJFWSA-N 471.509 2.256 30 10 JEEE C=CCOc1ccc(Cn2c(Cc3ccncc3)nnc2N2CCN(C(=O)COC)CC2)cc1 1301526767 RBGTVSGVCRSFIN-UHFFFAOYSA-N 462.554 2.172 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCCn2cc(Br)cn2)C1 1301535272 KDGVIWVPJDYPFI-MRXNPFEDSA-N 466.384 2.247 30 10 JEEE CCCNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1313483750 GJEJCLPBFMVRPF-IBGZPJMESA-N 482.585 2.419 30 10 JEEE CCN(CC)C(=O)CN1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2([S@@](C)=O)CC2)CC1 1313643336 FVPZIRCSDRYTQF-PGUFJCEWSA-N 497.669 2.108 30 10 JEEE C#CCN(c1nnc(CCCc2ccccc2)n1C[C@](C)(O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1358965802 BKFDHWPEJNKSSM-QPPBQGQZSA-N 458.628 2.487 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1cccc(C(OC)OC)c1)[C@H]1CCS(=O)(=O)C1 1358967008 BIOHKCLAVHGMGS-VQTJNVASSA-N 474.583 2.096 30 10 JEEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1C[C@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1358967106 DNMNKGQKRKWRDE-LAUBAEHRSA-N 466.991 2.298 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2C[C@@H](C)CN2CCN(CC)CC2)CC1 1359040999 LKAMKIWLFQWUHH-LEWJYISDSA-N 457.667 2.031 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@](C)(O)c2cc(C)oc2C)CC1 1359044851 PWUYZHAQAIEUKT-NLFFAJNJSA-N 469.586 2.255 30 10 JEEE C#CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(C)=O)C[C@@H]1C 1359057942 NCUYXERQUJROOD-HKUYNNGSSA-N 492.646 2.010 30 10 JEEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1359089416 IRSZUDXROPUKEQ-QGZVFWFLSA-N 450.385 2.484 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1359094423 AWMPVGPDBVZRCH-RDPSFJRHSA-N 498.628 2.154 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1359187878 AOIYFRMCLOFPER-GOSISDBHSA-N 464.636 2.120 30 10 JEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCN(Cc2cccs2)CC1 1359302631 OGWMZOPLXFRBPD-UHFFFAOYSA-N 457.629 2.320 30 10 JEEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCC(C)(C)CC1 1359334549 JPGQJMIZDLYOTF-UHFFFAOYSA-N 451.618 2.497 30 10 JEEE C#CCN(C(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)[C@H]1CCS(=O)(=O)C1 1359871767 QCPSHXQBALARDU-NSHDSACASA-N 457.295 2.350 30 10 JEEE C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCO[C@H](C#N)C2)n1CCCS(C)(=O)=O 1360759968 FKCSQLPWJQICRM-WMLDXEAASA-N 453.952 2.235 30 10 JEEE C#CCNC(=O)CN1CCCN(C(=O)c2cc(-c3cccs3)nc3c2cnn3CC)CC1 1464847758 LFPMEVCHUINCPU-UHFFFAOYSA-N 450.568 2.077 30 10 JEEE CC[C@H](C)N(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1496121324 FBEUZGNZAXMCPA-SFHVURJKSA-N 473.647 2.455 30 10 JEEE CC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)[C@H]1CC)N1CCCC1 1497382347 BTDYGJIWRANBOJ-TZIWHRDSSA-N 451.575 2.318 30 10 JEEE CCNC(=O)C(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1502379478 HVKVWTQQJQKRTJ-HXUWFJFHSA-N 462.558 2.290 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(O)CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1507626093 DAAZBXOFWRDYNM-GBXCKJPGSA-N 467.595 2.385 30 10 JEEE C#CCN(c1nnc(CC)n1CCNc1ncc(Cl)cc1Cl)[C@H]1CCS(=O)(=O)C1 1507633177 DENAAKPLZVUYIR-AWEZNQCLSA-N 457.387 2.281 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1CC1(S(C)(=O)=O)CCC1 1507643644 QHJFUTYTFGFRBK-UHFFFAOYSA-N 450.362 2.076 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@H]2CCC[C@@H]2C)CC1 1507719051 XNQROQVGTJVTDK-PZJWPPBQSA-N 470.643 2.387 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCN2CCOC(C)(C)C2)CC1 1507732408 MIWBUALMQPPFAH-UHFFFAOYSA-N 473.021 2.377 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2CCN(C)C2CCCC2)CC1 1507732709 RVFPHQMSCBZPEE-UHFFFAOYSA-N 452.603 2.495 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCC2CCC(OC)CC2)CC1 1507733967 PGHFGZQTWMXGGI-UHFFFAOYSA-N 493.612 2.487 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2C[C@]2(N(C)C)CCSC2)CC1 1507740565 VGBOVTJUZRNDCA-HSZRJFAPSA-N 472.684 2.334 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(CCOC)C(=O)C1 1507807258 LUVLYGSCNRPCRM-UGESXGAOSA-N 475.634 2.473 30 10 JEEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1507960753 RIMYHGPWQPTDFG-UHFFFAOYSA-N 456.639 2.266 30 10 JEEE C=CCN(CC=C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1NC(=O)CC1(C)C 1508017729 HBDKLUUWNXHACB-KRWDZBQOSA-N 457.604 2.331 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ccc(F)cn2)CC1 1508136393 RUUKQWHIDJIQCS-UHFFFAOYSA-N 481.557 2.278 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCc2ccc(Cl)nc2C1 1508144878 YSVOYFZGHQNOGA-UHFFFAOYSA-N 476.006 2.352 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccnc1OCC(F)F 1509950967 GITAVYPPMNWJGN-ZFWWWQNUSA-N 454.503 2.006 30 10 JEEE COc1ccc(CCc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H]2CCCCS2(=O)=O)cc1 1518201699 AIUFPXSTTWJJFR-UGKGYDQZSA-N 461.563 2.481 30 10 JEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2c(F)cc(F)cc2C1 1539071813 DZAGLDBHSWQIIH-FQEVSTJZSA-N 479.553 2.255 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCOC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1539229452 DFJMPAXXPSWXKY-JBACZVJFSA-N 483.594 2.028 30 10 JEEE C#CCN(CCOC)c1nnc(COc2ccc(Br)cc2)n1Cc1cnn(C)c1 1539422771 KPADVLUFGBWLSQ-UHFFFAOYSA-N 459.348 2.487 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@]2(O)CCC[C@H]2C)CC1 1539428503 SHZKUHXFCWYKGA-HOYKHHGWSA-N 471.005 2.168 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCCCOc2ccc(F)cc2)CC1 1539428986 YYEDILYWWCDEAL-UHFFFAOYSA-N 454.550 2.268 30 10 JEEE C#CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@@H](C)[C@@H](O)C1 1539509975 BVWOAMAPWBWQPZ-APWZRJJASA-N 452.584 2.248 30 10 JEEE COCCn1cc(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCC[C@](C)(C#N)C2)cn1 1555568844 FRZNNKFDOSQENK-HSZRJFAPSA-N 483.598 2.370 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1C[C@@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1587569299 WOYUCCFGFVIQKE-MMSOTJHASA-N 489.617 2.413 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCCn1cc(Br)cn1 1587641295 YWNRZKWXCYJDKP-CABCVRRESA-N 469.409 2.078 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1Cc1ccc(C#N)o1)[C@H]1CCS(=O)(=O)C1 1588045944 ULHDXIHBOAQOCU-INIZCTEOSA-N 451.508 2.093 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2cccc(C)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1589569284 OLKRPWROFGACKK-UZKOGDIHSA-N 455.559 2.098 30 10 JEEE C=CC1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC2(S(C)(=O)=O)CC2)CC1 1594202303 KTDGRJOTHKLOLX-UHFFFAOYSA-N 493.655 2.175 30 10 JEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN([C@H](C)c2nccs2)CC1 1594679794 JEXHMIFOOVNUSE-JKSUJKDBSA-N 453.638 2.194 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1595488980 BSSZQJAENAAOFW-DOTOQJQBSA-N 473.375 2.067 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 1595517045 NNAFQYOSVLEZGL-IFMALSPDSA-N 479.629 2.064 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCOC[C@@H]1C 1595799052 WFIQXHAUCVXDGV-ZWKOTPCHSA-N 483.635 2.219 30 10 JEEE C[C@@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](C#N)C1)c1nccs1 1611498351 BXPZBAKIBUTFSS-GOEBONIOSA-N 458.569 2.338 30 10 JEEE C=CCn1c(SCCC(C)(C)O)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 1613303280 ACGTVQGVTDSYHX-UHFFFAOYSA-N 452.602 2.405 30 10 JEEE CC[C@@H](NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)[C@H]1CN(Cc2ccccc2)CCO1 1630906130 HKQUHKSOWWGIQF-DHIUTWEWSA-N 455.580 2.269 30 10 JEEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)CC1 1650846448 XRHOYLSSGQZIAZ-UHFFFAOYSA-N 458.927 2.229 30 10 JEEE C#CCN(CC(=O)Nc1sc2c(c1C(=O)OCC)CC[C@H](C)C2)[C@@H]1CCS(=O)(=O)C1 1657713301 ALGHYPWBNBYUAY-LSDHHAIUSA-N 452.598 2.110 30 10 JEEE COC(=O)CN(CCc1ccccc1)CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 1658004497 DJWURUSFOTVOAQ-QHCPKHFHSA-N 452.530 2.252 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCc1cccc(C)n1)[C@@H]1CCS(=O)(=O)C1 1689994072 QMHDRLCBJMFKQV-HXUWFJFHSA-N 470.624 2.207 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1CCCn1cccn1)[C@@H]1CCS(=O)(=O)C1 1689995823 AVOZEIGXNOOETL-HXUWFJFHSA-N 468.583 2.079 30 10 JEEE C#CCN(c1nnc(COCC)n1Cc1ccc(NC(=O)c2ccco2)cc1)[C@H]1CCS(=O)(=O)C1 1689997161 WYGMTYHEGZQLAP-FQEVSTJZSA-N 497.577 2.335 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1CC1(S(C)(=O)=O)CCCC1 1690003732 VXMHNIZFLDQXIT-UHFFFAOYSA-N 478.416 2.476 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2C[C@H](C)N(C)C2CC2)CC1 1690152265 DXLDXEYFGMYVEI-SFHVURJKSA-N 468.577 2.445 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1690253080 MKAPJCLJFPIQCF-ZNLUXHQJSA-N 493.605 2.495 30 10 JEEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 1690742628 WUWDPCYQUOYCOA-FBBABVLZSA-N 472.663 2.401 30 10 JEEE Cc1cccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CC2(O)CCN(C(C)C)CC2)c1 1693225357 BBKBMQYJSBQNBS-NRFANRHFSA-N 454.575 2.130 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCc1cccc(C(N)=O)c1 1705489308 MZUYVMPXSJKLDA-INIZCTEOSA-N 465.583 2.038 30 10 JEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC([C@H]2CC2(F)F)CC1 1705516564 DYSCECQWIYSRMQ-MSOLQXFVSA-N 471.574 2.286 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@]1(C)CCCO1)[C@@H]1CCS(=O)(=O)C1 1705567998 FFJWVLPQAZLSNH-VGSWGCGISA-N 462.547 2.192 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H](C)Oc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1705570060 JXZMMXFKUHQJFC-WIYYLYMNSA-N 483.569 2.497 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCC2CC(OC(C)(C)C)C2)CC1 1705643397 DPOZGWYTSHUTOZ-UHFFFAOYSA-N 484.645 2.464 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2CCc2nnc(C)s2)CC1 1705651052 HTLJCDFOEDFIOJ-UHFFFAOYSA-N 483.573 2.365 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1705651790 HTUAEGZOGUWKRQ-NRFANRHFSA-N 496.637 2.341 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N(C)CCS(C)(=O)=O 1705708354 BHMOCQLPACZLLH-OXQOHEQNSA-N 452.552 2.458 30 10 JEEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1705721212 PSXBCVFAVJYXQJ-JKSUJKDBSA-N 456.613 2.300 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCO[C@H](COC)C1 1705898848 ZRAOJDFKTOIMIX-AWEZNQCLSA-N 468.327 2.001 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccccc3F)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1705928054 AHTWGIIRENPHMG-ZWKOTPCHSA-N 479.578 2.059 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1705933427 GTKSKCFDSMQBKN-GOSISDBHSA-N 473.599 2.050 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCC[C@@](C)(OC)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1705938868 LIRQSTSPYFKFPY-FGZHOGPDSA-N 470.636 2.315 30 10 JEEE C[C@H](C#N)CN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1CCN(CCN(C)C)CC1 1706072369 CDIIEYXJJRDHIH-LJQANCHMSA-N 491.644 2.061 30 10 JEEE CCOc1cc(Cn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@H](C#N)C2)ccc1OC 1710505275 DBQFVCZRRADUIY-QGZVFWFLSA-N 482.566 2.454 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H](C)Oc1ccccc1C)[C@H]1CCS(=O)(=O)C1 1722367261 MIBDLPMCIQKQAT-AQNXPRMDSA-N 458.584 2.185 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@]2(C)CN(C)C2=O)CC1 1722433974 HLXMTBUSJWIERD-NRFANRHFSA-N 475.366 2.080 30 10 JEEE C#CCN1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCCOCCCC)CC1 1722438688 YBHQIEIOLAFHCX-UHFFFAOYSA-N 463.586 2.154 30 10 JEEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(OCCOC)cc2)CC1 1722439792 PMKLLYCQXKAKFD-UHFFFAOYSA-N 466.611 2.463 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCCN(C)CCOC)CC1 1722441648 MOMZFIUJUZDPDT-NRFANRHFSA-N 489.665 2.074 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2CCN2CCOCC2(C)C)CC1 1722448831 AMWHAQVOZBEKSD-UHFFFAOYSA-N 478.641 2.140 30 10 JEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 1722461081 BQQDTVRSYODAIJ-IBGZPJMESA-N 472.659 2.242 30 10 JEEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1Cc1ccccc1 1722538314 WSJXFQMHUBMQMA-YADHBBJMSA-N 489.642 2.415 30 10 JEEE C=CC[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](OC)C1)c1ccccc1 1722598086 ZHRFTNPXDAORNV-NJYVYQBISA-N 475.615 2.196 30 10 JEEE C=CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCN(S(C)(=O)=O)CC1 1722614179 FHXTWCWCRXKIQB-UHFFFAOYSA-N 485.614 2.284 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(N(C)C)CCC[C@@H](C)C1 1722681796 SMTWTAPVSPQNBJ-WOIUINJBSA-N 453.653 2.330 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H](CNC(C)=O)C1 1722688486 CZYKOFLOLGWAPS-WMZOPIPTSA-N 458.538 2.212 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1722690515 JYFAVIXXNQWQDO-MOPGFXCFSA-N 475.615 2.351 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1722730052 GUUIYZJNTBPENS-DEOSSOPVSA-N 484.626 2.150 30 10 JEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(N(C)C(=O)OCC)CC1 1722738424 JIOGUBUBPPOCHG-INIZCTEOSA-N 471.649 2.157 30 10 JEEE CN(C)C(=O)C1(Cn2c(COc3ccccc3F)nnc2N2CCO[C@H](C#N)C2)CCCC1 1729295546 BFZFAXZASNPHHH-QGZVFWFLSA-N 456.522 2.374 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC)n2C[C@]2(N3CCOCC3)CCSC2)c1 1740564127 BHZKITJYSRZWAI-XMMPIXPASA-N 468.627 2.105 30 10 JEEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@@H]1CC(F)(F)CO1)[C@H]1CCS(=O)(=O)C1 1740619959 BAJOTXOALQHJSV-GJZGRUSLSA-N 454.474 2.135 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 1740678881 VBGKJMJEKLMIHB-LJQANCHMSA-N 474.606 2.247 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(CN(CC)CC)c2)CC1 1740688552 GROMQIYDRIECHF-UHFFFAOYSA-N 463.630 2.159 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CC(C)(C)CC=C)CC1 1740701971 SZTIYUJZVYECNB-UHFFFAOYSA-N 473.585 2.489 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCS(=O)(=O)N1CCSCC1 1740726809 PEHDTKFULLCQHY-OAQYLSRUSA-N 490.611 2.224 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCCNS(C)(=O)=O 1740731130 PHVNFRWBGJYMET-HSZRJFAPSA-N 494.662 2.324 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC(C)(C)C 1740760678 KJHZVBXMBCMEOT-BZSNNMDCSA-N 455.625 2.075 30 10 JEEE C=CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@H]1CCOC[C@@H]1OC 1740903320 UBSJLZBJHKOOSB-GGAORHGYSA-N 454.619 2.317 30 10 JEEE CCCS(=O)(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)NC(C)C)CC1 1745851371 CKSMXVYFQNNQAH-UHFFFAOYSA-N 487.630 2.030 30 10 JEEE CCOC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC2CC2)C1 1746581967 GYCAYZNSMPSKSA-IBGZPJMESA-N 451.531 2.058 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](C(C)C)N1CCOCC1 1748670944 FBYUMELNABYBBM-PWRODBHTSA-N 490.649 2.401 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(S(C)(=O)=O)CCC1 1748672357 SLYNDSCDQRXQNC-IRXDYDNUSA-N 481.619 2.012 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCSC2(CCCCC2)C1 1748751957 OZHVFRZRQYJBEG-GOSISDBHSA-N 467.661 2.281 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@H]1CCN(CCC)C1)[C@H]1CCS(=O)(=O)C1 1748809372 LXJMYCWVXLBXEU-FPOVZHCZSA-N 471.627 2.312 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1cc(Cl)ccc1OC)[C@@H]1CCS(=O)(=O)C1 1748817812 QWPZEIJNPZYXNG-CRAIPNDOSA-N 464.975 2.119 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CCc1sc(C)nc1C)[C@@H]1CCS(=O)(=O)C1 1748819077 KEIBUDRLNXAHRL-LJQANCHMSA-N 470.624 2.207 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ncnn1C(C)(C)C 1748881052 AINMJZIXLJPRHP-UHFFFAOYSA-N 494.625 2.053 30 10 JEEE C=C(C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1749189985 YGKMJVLUFBLJON-ZWKOTPCHSA-N 482.651 2.439 30 10 JEEE C=C(C)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC[C@H](C(=O)NC)C1 1749200812 WPOWXGOKARRMGN-NRFANRHFSA-N 451.619 2.181 30 10 JEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1749457308 JDQHLJDIVMKHIA-HOTGVXAUSA-N 466.526 2.321 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CN2CCCC2=O)n1CC1CCS(=O)(=O)CC1 1749530338 ZEICKKQRXPURTR-UHFFFAOYSA-N 487.626 2.427 30 10 JEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1749630565 YFEIUSYHBQFGTF-PMACEKPBSA-N 476.622 2.321 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1ccc(C#N)cc1 1749668655 CDAYGKFCEROOAL-HXUWFJFHSA-N 495.584 2.397 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC2(CCC2)C1 1749669240 ITHMRGWTOXFJDL-KRWDZBQOSA-N 460.579 2.269 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2coc(-c3ccccc3)n2)C1 1749699049 YYFCWNLJKSKFLI-QFBILLFUSA-N 472.571 2.373 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(NC(=O)OC(C)(C)C)COC1 1760100212 SIDKDBUZKKMTBY-HXOBKFHXSA-N 463.579 2.070 30 10 JEEE C#CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCO[C@H](CNC(C)=O)C1 1760129795 ZICKSNUHKLAMCQ-OAQYLSRUSA-N 452.559 2.292 30 10 JEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](C(=O)N(C)c2ccccc2)C1 1760130236 GCHUVYUWLQEPIB-OALUTQOASA-N 472.615 2.181 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@H](C)N1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1760185436 XCHDYTDEWIOLNU-PMACEKPBSA-N 458.632 2.031 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1ccc(C)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1760189291 HFGYQKAOLWICKC-OAQYLSRUSA-N 465.579 2.256 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN1Cc1ccccc1 1760220290 YPWIHLDDGAZVEX-XZOQPEGZSA-N 465.623 2.308 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCSCC(F)(F)F)CC1 1760262051 YMNZLQONARNRNK-UHFFFAOYSA-N 472.562 2.320 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCN2CCCC[C@@H]2C)CC1 1760264580 ADVIJHOJOSZIIN-FQEVSTJZSA-N 492.628 2.156 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCCc2ccnc(C(C)(C)C)n2)CC1 1760264752 DHJGUIMCROFYKY-UNMCSNQZSA-N 481.645 2.478 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCCN2C[C@@H](C)C[C@@H](C)C2)CC1 1760269999 RMCUXYZJVCZQSL-VWPQPMDRSA-N 456.635 2.116 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2Cc2cccc(OCCN(C)C)c2)CC1 1760273381 RCFVMNQTZKHBEZ-HSZRJFAPSA-N 480.613 2.084 30 10 JEEE C#CCSCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1760274757 SKMYFUFPQHMWFA-ZWKOTPCHSA-N 485.610 2.394 30 10 JEEE C#CCSCCn1c(CC(C)C)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1760282917 VXPKQTXKHRQWBE-UHFFFAOYSA-N 461.657 2.495 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1760315118 ALWVTADAUUOBAB-KBMXLJTQSA-N 493.552 2.217 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCN(CCOC)[C@@H](C)C2)nnc1[C@@]1(OCC)CCOC1 1760327449 HFLRSSQPRKXLRG-SEDAZVQISA-N 463.623 2.068 30 10 JEEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(=O)c2cc(C)oc2C)CC1 1760432857 NTCDHZOSYOLZHI-MRXNPFEDSA-N 478.619 2.463 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC(=O)NC 1760503175 BKIXDONKKHIXHB-QGZVFWFLSA-N 450.584 2.168 30 10 JEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](OCCCc2ccccc2)C1 1760510360 VADHJSURWNSAHV-LEWJYISDSA-N 475.615 2.025 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@@H]1CCCN(Cc2ccccc2)C1 1760514901 NZWWRFKDDLLIOX-OAQYLSRUSA-N 488.596 2.328 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](c2ccccc2)O[C@H](C)C1 1760515567 YAWSGYJWXCYEQY-IEBWSBKVSA-N 461.526 2.194 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 1760557035 XZEODMAAVDVFOJ-IBGZPJMESA-N 476.578 2.371 30 10 JEEE CCc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1CC(C)(C)N1CCOCC1 1764553074 FDHYKGZCCLWUFZ-FQEVSTJZSA-N 454.575 2.259 30 10 JEEE CCOCc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@@H](C(C)C)N1CCOCC1 1766413973 DVUWMIGQBNGWOF-DEOSSOPVSA-N 481.645 2.365 30 10 JEEE CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1766692375 ACMPQPBFPPLAQX-UHFFFAOYSA-N 497.625 2.494 30 10 JEEE CCO[C@]12O[C@@H]1C[C@@]1(CC[C@H]3[C@@H]4[C@H](C(=O)OC)[C@@H](O)C5=CC(=O)CC[C@]5(C)[C@]45O[C@@H]5C[C@@]31C)O2 1848433030 UEHLHDISHRGLLG-ZHPRZMQNSA-N 474.550 2.268 30 10 JEEE CCOc1cc([C@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2CCNC(C)=O)ccc1O 1862745500 KIAQLHBDYUFXRH-FQEVSTJZSA-N 469.450 2.414 30 10 JEEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1ccc(OC)cc1 1865724305 KWCFOGWPEMNNCC-SFHVURJKSA-N 470.570 2.264 30 10 JEEE CC(C)(NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1)C(=O)N1CCN(c2ncccn2)CC1 1868775076 YUMKMGBXMDNKOH-IBGZPJMESA-N 481.626 2.058 30 10 JEEE C=CCN(CC=C)c1nc(=NC[C@@H](C)O)nc(Nc2ccc(C(=O)NCCN(CC)CC)cc2)[nH]1 1871704628 AAICRDQJGIODJX-LJQANCHMSA-N 482.633 2.080 30 10 JEEE COc1ccc(OC)c(/C=N/n2c(SCC(N)=O)nnc2[C@H]2CC(=O)N(Cc3ccccc3)C2)c1 1874210008 JDNAPIQFLVRRLA-XIMCHAMWSA-N 494.577 2.271 30 10 JEEE CC(C)N1C[C@H](c2nnc(SCC(N)=O)n2/N=C/c2ccc(Br)cc2)CC1=O 1874337936 LSXIBWYJWZZPLA-RTYWOJFRSA-N 465.377 2.225 30 10 JEEE CCOC(=O)c1ccc(CSc2nnc(CNC(C)=O)n2/N=C/c2ccc(O)c(O)c2)o1 1874433311 JVEUJDJJPQZQRN-LSFURLLWSA-N 459.484 2.270 30 10 JEEE CCOc1cc(/C=N/n2c(COC)nnc2SCC(=O)OC)cc(Br)c1O 1874502660 STGNEXVMAUWKCQ-CNHKJKLMSA-N 459.322 2.439 30 10 JEEE CN1CCN(CC#CCOC2CCN(C(=O)C3CN(c4nc5c(F)cccc5s4)C3)CC2)CC1 1889671044 RTFOWYURSAHYHJ-UHFFFAOYSA-N 485.629 2.130 30 10 JEEE C=C1C(=O)O[C@@H]2/C=C(/C)[C@@H](OC(C)=O)CC=C(COC(C)=O)C[C@@H](OC(=O)/C(C)=C/CO)[C@@H]12 2080136515 HPWMABTYJYZFLK-PUYRPHKYSA-N 462.495 2.096 30 10 JEEE CC(C)(C)OC(=O)N1CCN(CC(=O)N2CCC[C@H](B3OC(C)(C)C(C)(C)O3)C2)C(=O)C1 2124536760 STYOAVIURGIRLC-INIZCTEOSA-N 451.373 2.151 30 10 JEEE CC(C)(C)OC(=O)N1CC(O)([C@H](F)C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2180980188 GIPOVKZHSANYRX-MRXNPFEDSA-N 468.306 2.383 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2180985986 WCJLBWINUQXYRH-RTBURBONSA-N 460.380 2.015 30 10 JEEE CON(C1CN(C(=O)OC(C)(C)C)C1)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2255949996 FKANIYRTALNVRX-UHFFFAOYSA-N 474.410 2.219 30 10 JEEE CN1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)[C@H](CNC(=O)OC(C)(C)C)C1 2267124399 KOYTVBGMIXRDBG-MRXNPFEDSA-N 465.425 2.328 30 10 JEEE CC(C)C[C@H](CNC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1)NC(=O)OC(C)(C)C 2267178911 IVVPVXHICAFGCP-OAHLLOKOSA-N 450.389 2.389 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H]1NS(=O)(=O)Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2267465630 PRGHVPZYFYTGOU-AEFFLSMTSA-N 466.409 2.318 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2C(CNS(=O)(=O)c3cscc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2267469319 SYCALNYKCPUFDF-HUUCEWRRSA-N 484.449 2.439 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CN(C(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)CC[C@@H]1CO 2267484232 FYWHFOMDOYGTJQ-PBHICJAKSA-N 466.409 2.395 30 10 JEEE Cc1c(C(=O)NCCC(C)(C)NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267529526 MOEAIEFLNSBVDF-UHFFFAOYSA-N 450.389 2.451 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1C[C@H](F)C[C@@H]1CNC(=O)OC(C)(C)C 2267599068 JOFUXSLEDJIOSD-HZPDHXFCSA-N 451.348 2.402 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@H](COc3ncccc3B3OC(C)(C)C(C)(C)O3)O[C@H]2C1 2279888478 FIGXYHYNYTUDMG-NJAFHUGGSA-N 462.352 2.163 30 10 JEEE CC(C)(C)OC(=O)N1CC(F)(F)C[C@@]1(C)CNC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2281930663 OEVJDRBWVWCNBV-FQEVSTJZSA-N 470.326 2.474 30 10 JEEE CCn1cc(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 2282000853 TUGUVISCYSJLOQ-RPLXOIEJSA-N 482.412 2.107 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)N1C[C@H](O)C[C@@H]1CNC(=O)OC(C)(C)C 2282134661 UAJYNYLSINFASV-QZTJIDSGSA-N 460.380 2.394 30 10 JEEE C[C@@H]1CN(S(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)[C@H](C)CN1C(=O)OC(C)(C)C 2282350855 SPBISTCHNATWNI-HZPDHXFCSA-N 481.424 2.399 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1 2282534355 TWMUBYKMDMHXEV-NVXWUHKLSA-N 460.384 2.191 30 10 JEEE CC1(C)OB(c2cc(C(=O)N3CC[C@](C)(NC(=O)C(F)(F)F)C3)n(C3CC3)c2)OC1(C)C 2282547106 OHBZYNWTPCHCTL-FQEVSTJZSA-N 455.286 2.405 30 10 JEEE C[C@@H]1CC[C@@H](NC(=O)C(F)(F)F)CN1C(=O)c1nn(C)c(Cl)c1B1OC(C)(C)C(C)(C)O1 2282547281 ZHXAKUNALWBGRK-GHMZBOCLSA-N 478.708 2.044 30 10 JEEE Cn1cc(C(=O)N2C[C@H]3C[C@@H](C2)[C@@H](NC(=O)OC(C)(C)C)C3)nc1B1OC(C)(C)C(C)(C)O1 2282548696 ZFWBUWLDJZHTDQ-JYJNAYRXSA-N 460.384 2.095 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1[C@@H]2C[C@@H]2CN1C(=O)OC(C)(C)C 2282610596 YWQSYSYQLNBTHA-BFYDXBDKSA-N 460.384 2.187 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282829616 HMJIQQKCQQTCFE-MSOLQXFVSA-N 481.424 2.495 30 10 JEEE CC1(C)OB(c2ccccc2S(=O)(=O)NC[C@H]2CCCN(C(=O)C(F)(F)F)C2)OC1(C)C 2282846317 IAEBULJDOXIFAW-CQSZACIVSA-N 476.326 2.065 30 10 JEEE Cc1cc(S(=O)(=O)N[C@H](CN(C)Cc2ccccc2)C(=O)O)sc1B1OC(C)(C)C(C)(C)O1 2284410650 CZPXHCXWSPXVMS-QGZVFWFLSA-N 494.444 2.219 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1C[C@@H]2CC[C@H]1N2C(=O)OC(C)(C)C 2362336194 CYPFMWUOAHRMHN-OWCLPIDISA-N 460.384 2.237 30 10 JEEE COc1[nH]c(=NC[C@@]23C[C@@H](CO2)N(C(=O)OC(C)(C)C)C3)ccc1B1OC(C)(C)C(C)(C)O1 2365347802 IKDHTTDKPVCNIZ-NPMXOYFQSA-N 461.368 2.002 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@H]2C[C@H](NC(=O)c3sncc3B3OC(C)(C)C(C)(C)O3)C[C@@H]21 2368864280 IREVXSJQJXOYER-VNQPRFMTSA-N 479.408 2.339 30 10 JEEE C=CCNC(=O)CN1CCN(c2ccc(S(=O)(=O)N3CCC(Cc4ccccc4)CC3)cn2)CC1 28623821 ZCWSYJMASILVPY-UHFFFAOYSA-N 497.665 2.149 30 10 JEEE CN(C)CCN1C(=O)C(=O)/C(=C(\O)c2ccc3c(c2)OCCO3)[C@H]1c1cccc([N+](=O)[O-])c1 102724554 UHTXMHCZYGRZMU-GOBJLOIFSA-N 453.451 2.349 30 10 JEEE Cc1c(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)nnn1-c1ccc2ncccc2c1 609425420 XZMHZQUUAQDXEA-UHFFFAOYSA-N 487.545 2.142 30 10 JEEE C=C1C[C@@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@@H]2O)C[C@@H]2CC[C@H]3[C@H](CC[C@]4(C)C(=O)CC[C@H]34)[C@@]12C 616590094 NEROJAIFUVJKBJ-PWQRXIBPSA-N 478.582 2.042 30 10 JEEE CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccc(Cl)cc1 729668724 PEQSKTJUFBSQAB-UHFFFAOYSA-N 477.977 2.475 30 10 JEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1[C@H](C)c1cccs1 729672378 KWNHSOJEZLRDOB-OAHLLOKOSA-N 461.572 2.034 30 10 JEEE C=CCn1c(S)nnc1Cc1csc(NC(=O)[C@@H]2CCN(C)C[C@H]2c2cnn(C)c2)n1 849491975 BKEKDIVVXMPCIY-CVEARBPZSA-N 458.617 2.208 30 10 JEEE COc1ccc(C=NNc2nnc(SCC(=O)NCc3ccc(C)cc3)n2N)cc1OC 1083962585 GEFUHNHUUHIMKR-UHFFFAOYSA-N 455.544 2.172 30 10 JEEE Cc1nn(CCO)c(C)c1C=NNc1nc(SCCC(=O)Nc2ccccc2[N+](=O)[O-])n[nH]1 1083982697 JBXAGCBDLUVJLZ-UHFFFAOYSA-N 473.519 2.085 30 10 JEEE CC(=O)Nc1ccc(S(=O)(=O)NN=C2C(=O)N(CCN3CCCCC3)c3ccccc32)cc1 1084628992 QESJCVOVZCVELJ-UHFFFAOYSA-N 469.567 2.160 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)(C)C)n2C[C@H]2CC(=O)N(CCOC)C2)c1 1286310169 XHSHNWHTGJXOQN-IBGZPJMESA-N 466.586 2.127 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(N(C)C)CCCC2)c1 1286311150 KHJFWXMIXINPHJ-HXUWFJFHSA-N 498.653 2.111 30 10 JEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1C[C@@]1(O)CCSC1)[C@@H]1CCS(=O)(=O)C1 1286384504 RAUNMMPQNYVMIV-XLIONFOSSA-N 467.016 2.093 30 10 JEEE C#CCN(c1nnc([C@@H](C)CC)n1CCCN1CCN(c2ccncc2)CC1)[C@H]1CCS(=O)(=O)C1 1286386274 XUFIWMREZRBLBY-GMAHTHKFSA-N 499.685 2.026 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1ccccc1OCC)[C@H]1CCS(=O)(=O)C1 1286395672 SSVPEOKIHOQRAK-NRFANRHFSA-N 465.579 2.338 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C(F)(F)F)cc1 1286431181 MLJMRVAQNKPGSE-IBGZPJMESA-N 495.527 2.141 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccc3F)n2C[C@@]2(C)COCCO2)n1 1286471124 JCLXSVQYRBJSCH-DEOSSOPVSA-N 468.533 2.372 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2cccc(OCC)c2)CC1 1286487974 JFRSWELINZZNRU-AREMUKBSSA-N 481.597 2.343 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@@H](C)N(C)Cc2ccccc2)CC1 1286489674 BQFFTWVTLKRMDV-HXUWFJFHSA-N 472.597 2.221 30 10 JEEE C#CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1286508125 GBYHILVYQMEGPT-JOCHJYFZSA-N 498.653 2.147 30 10 JEEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)Cc2ccccc2C)CC1 1286509942 ZAABOMBBWNDNJR-NRFANRHFSA-N 453.612 2.348 30 10 JEEE C=C(Br)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C2CC2)C(=O)C1 1286531196 IVCRVSRIDSCSEX-UHFFFAOYSA-N 480.388 2.068 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1286559735 YHFCGOKNEKYDOZ-NFBKMPQASA-N 498.603 2.162 30 10 JEEE C=C(C)COCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1286600628 CKDKACVOLBJOLA-QUCCMNQESA-N 452.559 2.455 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H](N2CCCCC2)C1 1286780523 XLACPXKVZXAFKG-QGZVFWFLSA-N 476.423 2.413 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](c2ccco2)C1 1286790988 LUWJOWKVKFVFFG-ROUUACIJSA-N 486.573 2.476 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 1286820634 ONLXFNSPXFNMAL-XLIONFOSSA-N 492.598 2.191 30 10 JEEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1286832110 IAEIYUKZECERGI-MRXNPFEDSA-N 458.588 2.243 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCOCC(F)(F)C(F)F)[C@H]1CCS(=O)(=O)C1 1300489924 WCKXIAKRZYZCHS-KRWDZBQOSA-N 499.490 2.360 30 10 JEEE C#CCN(c1nnc(C2CCN(c3ncccn3)CC2)n1C/C=C/CC)[C@H]1CCS(=O)(=O)C1 1300495329 GFPXYWBEUOOHQW-XJDXJNMNSA-N 469.615 2.045 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H](C)N1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1300499071 PDMYZMOVHGEURY-IFMALSPDSA-N 470.643 2.011 30 10 JEEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1Cc1nncn1-c1ccccc1 1300591383 PIBZUVBTCVQIOB-UHFFFAOYSA-N 470.562 2.362 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccc3F)n2C[C@@H]2CCS(=O)(=O)C2)n1 1300680464 CKCYEQXCMXFMKP-SFHVURJKSA-N 486.573 2.002 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCCN(C)C(C)C)CC1 1300724981 FEENPZMPMJHKBS-HSZRJFAPSA-N 480.613 2.487 30 10 JEEE C#CCSCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1300765274 CPTSZNRMHDQLRT-UHFFFAOYSA-N 468.048 2.360 30 10 JEEE C=CC1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1301111748 CNNGMMGATISOBN-LJQANCHMSA-N 493.655 2.175 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCO[C@@H](c2nnc(C(C)C)o2)C1 1301507976 BYNHYGBGKXXDHR-MRXNPFEDSA-N 457.560 2.317 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCO[C@@H](c3ccccc3)C2)nnc1[C@]1(OCC)CCOC1 1301596140 ISUVREGEMMRWLJ-OFNKIYASSA-N 476.599 2.109 30 10 JEEE CCOc1ccccc1Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](C#N)C1 1314216495 HLRXZMVSEAFHCH-KRWDZBQOSA-N 452.540 2.445 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H](CC)OC)[C@H]1CCS(=O)(=O)C1 1358958461 ONMWGFVYZMRFEY-ZWKOTPCHSA-N 462.572 2.014 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2)n1CCS(=O)(=O)N1CCSCC1 1358973476 SVHFRBSTFFPZSX-UHFFFAOYSA-N 464.016 2.050 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2cccc(F)c2)C1 1359056651 JBHLOLUIZUMJOR-HKUYNNGSSA-N 464.588 2.264 30 10 JEEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1359122160 ALHIDMOWQNPPJT-ZCNNSNEGSA-N 476.622 2.320 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCN(CC(C)C)C1)C1CC1 1359251445 LNEVGZFZZDQNPZ-FPOVZHCZSA-N 480.679 2.134 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCCS1(=O)=O 1359263964 QQTHTCNVNZNKKC-WMZOPIPTSA-N 484.669 2.402 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@@H](N2CCCC2=O)C1 1359295695 LDVKJGCGRDICQN-MRXNPFEDSA-N 458.950 2.110 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1359334271 YZKLZNKIFMQVSO-LJQANCHMSA-N 477.606 2.350 30 10 JEEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](CC(C)C)N(C)C)CC1 1359396515 CXJTYCFQFIUFLB-NRFANRHFSA-N 453.591 2.374 30 10 JEEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCOc2ccc(Cl)cn2)C1 1360784540 HAGQJOGMMASQNH-FOIQADDNSA-N 464.979 2.438 30 10 JEEE Cc1ccc(C)c(OCc2nnc(N(C)[C@@H](C)CC#N)n2C[C@@H]2CCN(S(C)(=O)=O)C2)c1 1361144018 BFQIOPVGRUVDQC-RBUKOAKNSA-N 460.604 2.494 30 10 JEEE N#Cc1ccc(Cn2cnc(NC(=O)c3cc(S(=O)(=O)N4CCC4)ccc3Cl)n2)cc1 1361283202 DQZNHUVOEYJXIP-UHFFFAOYSA-N 456.915 2.498 30 10 JEEE C=CCN(C(=O)[C@@H]1CCCN(C(=O)N2CCc3sccc3C2)C1)[C@@H]1CCS(=O)(=O)C1 1435069134 NNVDNLPDTPKJRH-QZTJIDSGSA-N 451.614 2.140 30 10 JEEE C#CCN(CC(=O)N1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1)Cc1ccc(F)cc1 1459409809 YXWIPLCBLPUNAH-UHFFFAOYSA-N 457.571 2.411 30 10 JEEE C=CCSCCNC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 1465139117 SJWZXMXHYKPPPO-UHFFFAOYSA-N 454.618 2.348 30 10 JEEE CCOC(=O)Nc1ccc(NC(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)cc1C#N 1465970227 HXIGZQKYIBFUDF-IAGOWNOFSA-N 450.517 2.327 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)N2CCC(Oc3cncc(Cl)n3)CC2)[C@H](C#N)C1 1478402969 GVGJMIRTWXXQJU-UKRRQHHQSA-N 450.927 2.442 30 10 JEEE CCN1CCN(C[C@H](C)Cn2c(CN3CCCC3=O)nnc2N(C)Cc2cccc(C#N)c2)CC1 1502345814 GBLVNLKDFLKBFM-NRFANRHFSA-N 478.645 2.182 30 10 JEEE CCOC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2CCS(=O)(=O)CC2)C1 1502525944 CNTIFLWUUFNYHN-FQEVSTJZSA-N 486.598 2.356 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)(C)C)n2C[C@@H]2CCCS(=O)(=O)C2)c1 1507548255 QHZIYNCJIFNYPB-SFHVURJKSA-N 457.600 2.457 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2CC[S@@](=O)C(C)(C)C)c1 1507549875 AOFWCXFBCZTBPT-HYHKQLJDSA-N 457.600 2.385 30 10 JEEE C#CCN(c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H](C)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1507633829 IXUJVKGUVVALOT-KNKQGSTJSA-N 487.626 2.148 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(NC(=O)c2ccco2)cc1 1507653769 RGLNNAWOBMMDHN-IBGZPJMESA-N 477.546 2.147 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2ccsc2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1507656208 FXEWWDAKNIHSRP-UHFFFAOYSA-N 450.568 2.258 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C)Oc2cccc(F)c2)CC1 1507715964 KSTVOUCDPVZQSI-GOSISDBHSA-N 463.517 2.287 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CC[C@@H](OC)C(F)(F)F)CC1 1507740366 RNHGHRYYEXAXSV-GOSISDBHSA-N 464.492 2.197 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccc(NC(=O)N(C)C)cc2)CC1 1507740950 IAZDKYDBAQIOID-OAQYLSRUSA-N 479.585 2.237 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)OCC)CC1 1507805714 NRNKWJMRZZRKPY-IEBWSBKVSA-N 469.546 2.185 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(N2CCOCC2)c1 1507820517 FZSPPSXZGBNBRL-FQEVSTJZSA-N 459.616 2.468 30 10 JEEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1507942402 QBHVQYRDNKPSCW-LJQANCHMSA-N 474.631 2.466 30 10 JEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](OCc2ccccc2)C1 1507954775 PJRPWQJTMGXQCE-RTWAWAEBSA-N 475.615 2.373 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@](C)(C(=O)NC)C1 1508146580 YZSTWYDMJWPYNR-NRFANRHFSA-N 466.007 2.086 30 10 JEEE CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ncc(C#N)cc1Cl 1521577828 GSVCJBIZAUVTOJ-UHFFFAOYSA-N 450.904 2.279 30 10 JEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCc1cnc2c(Cl)cnn2c1 1539154061 FWELOXHMEMNJBM-UHFFFAOYSA-N 499.000 2.204 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC1(CCOC)CCCCC1)[C@H]1CCS(=O)(=O)C1 1539201149 XNNYVWRTGIBDGW-IBGZPJMESA-N 479.647 2.030 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1Cc1cc(C)on1)[C@@H]1CCS(=O)(=O)C1 1539201606 ATDFNUGMYVYWAE-HXUWFJFHSA-N 482.566 2.119 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1CCCOc1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1539210875 HNJXKHHEXYEJNF-LJQANCHMSA-N 483.594 2.388 30 10 JEEE C#CCN(CC)c1nnc([C@H]2COc3ccccc3O2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1539370803 GKSNUYCBCAHJCU-SIKLNZKXSA-N 466.586 2.193 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CC[C@H]2CCO[C@@H](C)C2)CC1 1539484647 XTHFDPVUUYYTTR-PMACEKPBSA-N 450.587 2.435 30 10 JEEE C=C(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1539700076 MOAABCWJXJOTDO-QGZVFWFLSA-N 485.614 2.017 30 10 JEEE C=C(C)COCCn1c(COc2cc(C)ccc2C)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1539758121 CQIPMPQQBVRTPH-UHFFFAOYSA-N 498.628 2.240 30 10 JEEE C=CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(C(=O)NC)CC1 1539999409 GZDKKFNIHXPSKB-UHFFFAOYSA-N 450.547 2.103 30 10 JEEE C=CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1540071440 GEFMMQGPRKCTLB-QGZVFWFLSA-N 482.651 2.296 30 10 JEEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@@H](C)N(CC)C[C@H]2C)cc1 1540877280 PITRDHKOZAKKRM-QRVBRYPASA-N 476.647 2.420 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2cccc(F)c2F)C1 1540883713 DAROFKYZXOXNAD-ZBFHGGJFSA-N 455.531 2.191 30 10 JEEE CC(C)(C)C(=O)NCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(C#N)CC1 1541137687 BFPGBNSEVYOGDD-UHFFFAOYSA-N 472.619 2.140 30 10 JEEE CC(C)C(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1541269634 AZONEGUJXXLXEF-LJQANCHMSA-N 484.626 2.383 30 10 JEEE Cc1ccc(C(C)C)c(OCc2nnc(N(C)C[C@@H](C)C#N)n2C[C@@]2(O)CCS(=O)(=O)C2)c1 1542249621 BNOXHOLUDXTPEF-MBSDFSHPSA-N 475.615 2.434 30 10 JEEE CCN(C(=O)OC(C)(C)C)[C@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1543120959 DSDRKBCCDUJJEG-MRXNPFEDSA-N 450.561 2.037 30 10 JEEE CCn1nccc1C(=O)N1CCN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@@H]1C(=O)NC1CC1 1548369527 QTBRJGNDNZOVSL-LJQANCHMSA-N 460.460 2.403 30 10 JEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)Nc1cccc(C#C)c1 1587765519 HKQRCOYXJNHCNU-IBGZPJMESA-N 453.568 2.040 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC1(c2ccc(OC)cc2)CCC1)[C@@H]1CCS(=O)(=O)C1 1588025132 STFUDMAQHLSIDX-HXUWFJFHSA-N 499.637 2.174 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@H]1CCSC1(C)C)[C@H]1CCS(=O)(=O)C1 1588030401 ULRSJVXAOCPUJR-AEFFLSMTSA-N 481.688 2.355 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H]2CC(F)(F)CO2)CC1 1588907363 ATVBOYXXYDHDGR-MRXNPFEDSA-N 464.904 2.384 30 10 JEEE C#CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(N(C)C(C)=O)CC1 1589053784 UBVKPKJUFXVRLE-UHFFFAOYSA-N 489.671 2.052 30 10 JEEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1589305121 MTJLWKOUKCZLIG-GXTWGEPZSA-N 457.329 2.180 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)CCc1cccs1 1593884163 DEKGTAQKZXIWJK-INIZCTEOSA-N 460.025 2.494 30 10 JEEE C=C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCNS(=O)(=O)c2ccc(C)s2)CC1 1594023691 NDMWGPWJJYLBSI-OAQYLSRUSA-N 481.644 2.435 30 10 JEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CCN(CC(F)(F)F)C2)CC1 1594192003 BTRXSGLJLAMMHW-ZBFHGGJFSA-N 464.558 2.175 30 10 JEEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C)C(C)(C)C1 1594812595 HTACWGPMAQJUHO-ROUUACIJSA-N 455.625 2.076 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H]3CCCCO3)nnc2N2CCO[C@H](CNC(C)=O)C2)cc1 1595614627 YEJNCPKNLVTJEB-YADHBBJMSA-N 455.559 2.474 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCc2ccc(OC)cc2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1595824249 ZXCDWWMFLMZJBA-DETIRCLXSA-N 474.627 2.270 30 10 JEEE CCc1nn(C)c(CC)c1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(OCC(N)=O)CC1 1613893503 IEKOHRGZIBBXSN-UHFFFAOYSA-N 476.585 2.194 30 10 JEEE COc1cc(OC)cc(-c2nnc(N(C)[C@@H](C)CC#N)n2CCS(=O)(=O)N2CCSCC2)c1 1619122851 ANCZZGVBJMCCBP-INIZCTEOSA-N 494.643 2.079 30 10 JEEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)NC(C)(C)C)C[C@H]1C 1619937339 HMVFLDOHYULNOJ-GOSISDBHSA-N 453.591 2.278 30 10 JEEE N#Cc1cc(F)c(S(=O)(=O)N2CCNC(=O)[C@@H]2c2cccc(Br)c2)c(F)c1 1662865291 CMBWRFZSAUOJMB-HNNXBMFYSA-N 456.268 2.461 30 10 JEEE C=CCn1cc2ccc(NC(=O)N[C@H](C)C(=O)Nc3cccc(S(=O)(=O)NC)c3)cc2n1 1673216220 WCXHTYCLAUMONF-CQSZACIVSA-N 456.528 2.279 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc(Br)cc1 1689828276 MSTSLVRZRTZWIR-KGLIPLIRSA-N 454.394 2.351 30 10 JEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCc2ccccc2)CC1 1689892514 HLIZXRKIVGEIBS-JOCHJYFZSA-N 455.628 2.348 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCN(C)CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1689993031 UDYKJAMBHVMXFO-GOSISDBHSA-N 487.523 2.129 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CC1(C(=O)NCC)CCC1)[C@H]1CCS(=O)(=O)C1 1689996649 LJPGNPAZXUDPAM-FQEVSTJZSA-N 499.637 2.099 30 10 JEEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc(Br)s1 1690058960 FVRDSUIEETVCEZ-GFCCVEGCSA-N 460.423 2.415 30 10 JEEE C#CCSCCn1c(N2CCN(c3nc(C)cs3)CC2)nnc1[C@@]1(OCC)CCOC1 1690186463 QPPZWJKQLJWQCL-OAQYLSRUSA-N 462.645 2.388 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2c(cccc2OC)C1 1690237114 VPGGSXMCYTXEHL-CDXJDZJCSA-N 475.615 2.441 30 10 JEEE C=C(C)COCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1690304955 SKXZRBWGNYFYKA-UHFFFAOYSA-N 472.977 2.118 30 10 JEEE C=CCCCCn1c(Cc2ccccn2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1690465946 RXKIUAUVOVMWDS-OAQYLSRUSA-N 474.631 2.251 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC(S(=O)(=O)c2ccccc2)CC1 1690667918 MNSLWXSOCQQAHV-UHFFFAOYSA-N 468.583 2.029 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2([S@](C)=O)CCC2)C1 1690689676 JTNFHZINGBVAQF-OKXSDPAFSA-N 478.640 2.431 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1690720615 NQTMWNUNNVARGD-ROUUACIJSA-N 475.615 2.236 30 10 JEEE CCOc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1C[C@H](C)N1CCN(CC)CC1 1696174778 GATIXWQRDGJDQO-LEWJYISDSA-N 483.617 2.011 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1Cc1cn(C2COC2)nn1 1705481710 LKXHDIMQXSQWFZ-ZDUSSCGKSA-N 472.347 2.385 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cscc1C(F)(F)F 1705495906 XLDLHRSTCDJKDV-DOMZBBRYSA-N 477.534 2.198 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2Cc2ccc(C)n(C)c2=O)c1 1705508581 YHXLCAFIQFMXFC-OAQYLSRUSA-N 460.538 2.241 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@H](C)N(C)C1CC1)[C@H]1CCS(=O)(=O)C1 1705562773 KCOGNLPVXVYMNW-HKUYNNGSSA-N 487.626 2.072 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1705563324 VDQWRTCYMCFNGH-SFHVURJKSA-N 463.007 2.106 30 10 JEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1CCN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1705570896 VGWCCNOXTIBYBK-JOCHJYFZSA-N 485.654 2.185 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cccc(C(F)(F)F)c2)CC1 1705639937 ZLUKJOJEWSSYCG-QGZVFWFLSA-N 467.517 2.003 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Br)c3)n2Cc2ccn(C)n2)CC1 1705644891 FHUVKBUTEVGEFM-UHFFFAOYSA-N 482.386 2.455 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCc2nccs2)CC1 1705646990 VZKRUKTYSNLXNV-UHFFFAOYSA-N 498.634 2.014 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCOc2ccccc2C(C)C)CC1 1705648253 UFPGUMPNXDWORV-OAQYLSRUSA-N 478.597 2.397 30 10 JEEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN([C@@H](C)c2nc(CC)no2)CC1 1705659648 BVMPKEGFEPCNSG-ROUUACIJSA-N 459.620 2.367 30 10 JEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1 1705659660 CCLJFKHKQURUQQ-BZSNNMDCSA-N 474.631 2.431 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(-n2ccnc2)c(F)c1 1705668423 LWVGIXHTHUNHBU-KSFYIVLOSA-N 471.562 2.254 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(OCC2CC2)CC1 1705698288 RSFSFWOVRSQHLS-HQRMLTQVSA-N 467.636 2.265 30 10 JEEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](OCc2cccc(OC)c2)C1 1705747683 RSVYUVRVBPBKKX-QAPCUYQASA-N 469.995 2.445 30 10 JEEE C=C(Cl)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(CCOC)C(=O)C1 1705753458 ATZHDUCWIACHDS-KRWDZBQOSA-N 483.013 2.440 30 10 JEEE C=C(Cl)Cn1c(COc2ccccc2OC)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1705759060 ICPXVCUUQVTXIF-UHFFFAOYSA-N 457.922 2.205 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC(C(=O)NCc2ccc(F)cc2)CC1 1705908798 HSUXTDWOHNTSEE-HXUWFJFHSA-N 470.549 2.104 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1705912262 FBCXKDMGFHYQKM-QZTJIDSGSA-N 485.614 2.229 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1705935382 PMKFICBJBRTZEZ-PMACEKPBSA-N 460.600 2.341 30 10 JEEE CC[C@H](C)[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1708356557 AMRKFTZTTRIEOD-XWFZLUIHSA-N 461.588 2.149 30 10 JEEE C#CCCCn1c(CCc2ccccc2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1722338414 HSJRWTGHQBSXGW-UHFFFAOYSA-N 476.625 2.417 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H](c1ccco1)N(C)C)[C@H]1CCS(=O)(=O)C1 1722358618 DUKOFXILWBCNFF-PMACEKPBSA-N 498.565 2.376 30 10 JEEE C#CCN(c1nnc([C@H](C)OCCOC)n1Cc1nc(C(C)(C)C)cs1)[C@@H]1CCS(=O)(=O)C1 1722363671 HDMZKALDBGLQSI-DLBZAZTESA-N 495.671 2.431 30 10 JEEE C#CCN(c1nnc(COCC)n1Cc1ccc(CN2CCCC2)cc1)[C@H]1CCS(=O)(=O)C1 1722370072 KWFBPLQLOFOPNH-QFIPXVFZSA-N 471.627 2.085 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1Cc1ccccc1CN1CCC[C@@H]1CO 1722395942 SVSVFHHCHZSVBR-XMMPIXPASA-N 457.582 2.147 30 10 JEEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CN(Cc2ccccc2)CCO1 1722417755 RQKSOWYXLVFFGL-ZRBLBEILSA-N 453.587 2.363 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CCCCCS(C)(=O)=O)CC1 1722433159 NCLYIEVEXRUKHO-UHFFFAOYSA-N 481.626 2.305 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@]2(C)CN(C)C2=O)CC1 1722443254 QFAFYOUETQSFSF-DEOSSOPVSA-N 484.988 2.051 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1722492828 DOJTXGCZMPOBDI-NJYVYQBISA-N 472.634 2.484 30 10 JEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C)cc2)CC1 1722630101 VOISRPZBPKMION-FQEVSTJZSA-N 459.616 2.408 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccc[nH]2)n1CC1(O)CCS(=O)(=O)CC1 1722653173 UNGSFCAJHYLFTH-UHFFFAOYSA-N 471.583 2.414 30 10 JEEE C=CCOc1ccc(Cn2c(-c3cccn3C)nnc2N2CCN(CCOC)C(=O)C2)cc1 1722706287 QGDCTBAMDDLFEU-UHFFFAOYSA-N 450.543 2.192 30 10 JEEE CSC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1731028130 GMHAIPWNNJQLPS-UHFFFAOYSA-N 478.644 2.342 30 10 JEEE N#C[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CCC(=O)NCc2ccccc2)CCO1 1731185805 FBYGBDKGGZMNAH-QGZVFWFLSA-N 484.358 2.471 30 10 JEEE N#C[C@@H]1CN(c2nnc(-c3ccc(Br)s3)n2C[C@H]2CCCCS2(=O)=O)CCO1 1731188479 GSFDYNDBTUCTFO-CHWSQXEVSA-N 486.417 2.465 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1CCNS(=O)(=O)Cc1ccon1 1740541423 YVYTWOCVPIWXEK-LBPRGKRZSA-N 499.416 2.335 30 10 JEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](CN(CC)CC(F)(F)F)C1 1740592213 SZACMCPVKILULB-IAGOWNOFSA-N 461.554 2.304 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@]1(C)CCCO1)[C@@H]1CCS(=O)(=O)C1 1740628958 XECXSJDUICSITQ-ZQAYVECASA-N 464.632 2.393 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCCN1CCOCC1 1740669181 QDEKZQOXKVFZDD-UHFFFAOYSA-N 463.586 2.418 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCN1CCOC[C@@H]1C 1740684941 GJPMDNVOJULLIH-LEWJYISDSA-N 490.649 2.199 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)c2cccc(OC)c2)CC1 1740700993 QAEHEESZJMYITD-UHFFFAOYSA-N 492.624 2.466 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCC2(O)CCC2)CC1 1740703013 CYWGREDNVVDKFY-UHFFFAOYSA-N 467.570 2.233 30 10 JEEE C=C(C)Cn1c(CCc2ccccc2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1740783415 FOLJNCWDKABRCA-OAQYLSRUSA-N 459.616 2.270 30 10 JEEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1740791149 VWKKOKMQOOFHRZ-UHFFFAOYSA-N 491.643 2.152 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1740989759 XDVPMPURGWFEMW-IBGZPJMESA-N 472.619 2.009 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCO[C@@H](c3ccccc3C)C2)nnc1[C@@]1(OCC)CCOC1 1740995610 RCLIGBKUYJDXMM-ZJSXRUAMSA-N 490.626 2.417 30 10 JEEE CCCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)N2CCOCC2)CC1 1745772703 BAKPTGNNKIKYTB-IBGZPJMESA-N 465.602 2.280 30 10 JEEE CCO[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CC2CN(C(=O)OC(C)(C)C)C2)CCOC1 1746695374 DDILNEPJOLTCHG-FCHUYYIVSA-N 464.542 2.239 30 10 JEEE C#CCCCn1c(Cc2ccccc2OC)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1748756443 MPDZRYKUKMRTSQ-NZQKXSOJSA-N 464.614 2.280 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1CCOc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1748811763 KWPJRNKHGSKLMC-LJQANCHMSA-N 467.551 2.054 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1cscc1C)[C@H]1CCS(=O)(=O)C1 1748821227 NMANQANCKAEFFH-IBGZPJMESA-N 458.613 2.185 30 10 JEEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](C(C)C)N1CCOCC1 1748920824 SCIPDLTZSDNHPA-HXUWFJFHSA-N 473.647 2.055 30 10 JEEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CC[C@H](C)c2ccc(OC)cc2)CC1 1748994180 CFXKHRGALFMWOV-FQEVSTJZSA-N 450.587 2.358 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(N(CC)CC)CC1 1749129958 IVWFIQUBMJFJKR-SBHAEUEKSA-N 465.664 2.472 30 10 JEEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(=O)c2cccc(Cl)c2)CC1 1749170805 UGQJQWIOXVAMHW-MRXNPFEDSA-N 481.022 2.470 30 10 JEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC(=O)Nc1cccc(Cl)c1 1749426446 BXSNLSWPFMSYSM-GOSISDBHSA-N 497.021 2.306 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC(C)(C)OC[C@@H]1C 1749655667 OQGALMXKLFJLTA-HNNXBMFYSA-N 459.547 2.277 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1749680759 QNZJQUIAJYRQRG-HNNXBMFYSA-N 470.471 2.371 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CCN(c3ccccc3F)C2)C1 1749699051 YYVRACDKQDBFEG-CEXWTWQISA-N 492.621 2.335 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1749736927 SSPAXTYOTLZEEV-CVDCTZTESA-N 460.600 2.162 30 10 JEEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CC(=O)NCCc1ccccc1 1750523980 GONKQQMYZXKOTC-TUNNFDKTSA-N 466.586 2.284 30 10 JEEE Cc1nc(N2CCOCC2)sc1-c1nnc(N2CCC(C#N)CC2)n1CCCC(=O)N(C)C 1751340927 DOHRAZXBDZJEPD-UHFFFAOYSA-N 472.619 2.155 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H](N1CCOCC1)C(F)(F)F 1760106797 HCYMMTAGZSMMHJ-KSSFIOAISA-N 451.449 2.395 30 10 JEEE C#CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCO[C@H](COC)C1 1760135212 MWKPRAZINYMUDX-SFHVURJKSA-N 450.543 2.330 30 10 JEEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1C[C@]1(OC)CCOC1)[C@H]1CCS(=O)(=O)C1 1760181215 RBGDQXHKCJYLEP-YZUZCNPQSA-N 472.611 2.252 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1760181505 WGHIGTNYNLIECW-RTBURBONSA-N 460.600 2.433 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCc2nccn2C1 1760248971 GVABLJVMDJLUEW-UXHICEINSA-N 499.616 2.132 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(C)(C)C(=O)NCC 1760292714 GUIQHOOZGQKHFB-RUZDIDTESA-N 461.570 2.346 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1760314179 UHVJEUWKYITRTD-IAGOWNOFSA-N 486.539 2.292 30 10 JEEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CCCN2CCOCC2)CC1 1760346207 NQQCKGNGCKSIPS-FQEVSTJZSA-N 451.637 2.085 30 10 JEEE C=C1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCCn2ccnn2)CC1 1760389626 PMUKJKWAEJUUAP-GOSISDBHSA-N 458.567 2.425 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ccc(OC)cc2)CC1 1760401816 CHAQIRGLZBGUEQ-OAQYLSRUSA-N 475.615 2.265 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N(C)CC(=O)Nc1ccc(C)cc1 1760552602 UPJBNLNDEHJJFK-UHFFFAOYSA-N 456.572 2.268 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](Cc2ccccc2)C1 1760555840 OVSKGSVZOOIOCS-SFTDATJTSA-N 460.600 2.221 30 10 JEEE Cc1nc(N2CCOCC2)sc1-c1nnc(N2CCC[C@](C)(C#N)C2)n1CC(=O)NCC(F)F 1761606504 CYSUSEDECSKNMP-OAQYLSRUSA-N 494.572 2.058 30 10 JEEE CN(C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@](C)(O)c2ccco2)CC1)S(C)(=O)=O 1767000234 BMFZWCAUICOJKX-QHCPKHFHSA-N 484.582 2.178 30 10 JEEE COCCN(CCC#N)c1nnc(-c2ccc3c(c2)OCO3)n1CC1(S(C)(=O)=O)CCCC1 1771109674 AJBSDGRSWKRAEA-UHFFFAOYSA-N 475.571 2.398 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@H](OC)C1 1772567176 MIPRJYVLPRMEKX-ROUUACIJSA-N 462.595 2.310 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1772660183 KMRIXYIFEVITGL-LJQANCHMSA-N 472.571 2.132 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@@H]2c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 1862697895 VAUPTOCIWIGLIC-OAQYLSRUSA-N 497.460 2.089 30 10 JEEE N#CCc1[nH][nH]c(=NC(=O)c2cc(O)c3cc(I)cc(F)c3n2)c1C#N 1866530725 JWNTUHFROVWLPW-UHFFFAOYSA-N 462.182 2.019 30 10 JEEE CC[C@@H](NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(=O)N(CCOC)CCOC 1868794271 APLMWRPIWTUBKK-RTBURBONSA-N 450.605 2.041 30 10 JEEE N#Cc1cccc(C(=O)Nc2nc(N(CCO)CCO)nn2-c2ccc(Cl)c(Cl)c2)c1 1869954090 HRUNVNLITXXBHS-UHFFFAOYSA-N 461.309 2.489 30 10 JEEE CN(C)Cc1cc(=O)c(OCc2ccc(C#N)cc2)cn1CCc1ccc(S(N)(=O)=O)cc1 1870350376 CQPCMBHLILDAHF-UHFFFAOYSA-N 466.563 2.251 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCO[C@@H](CC(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2187901399 HYYFQKRLISHWME-JKSUJKDBSA-N 462.356 2.177 30 10 JEEE CN(C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)[C@H]1CC[C@H]1NC(=O)OCc1ccccc1 2247804891 NBFYGZULDMLBKU-MSOLQXFVSA-N 454.336 2.238 30 10 JEEE Cc1cnc(C(=O)N2CC(NC(=O)OCc3ccccc3)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2247945370 XRQNEAYWLWVGRA-UHFFFAOYSA-N 451.332 2.440 30 10 JEEE Cn1nc(C(=O)N[C@H]2CCCN(C(=O)OCc3ccccc3)C2)cc1B1OC(C)(C)C(C)(C)O1 2255615281 PYLOKRWDKHWNKW-SFHVURJKSA-N 468.363 2.250 30 10 JEEE Cc1cc(C(=O)NCC2(O)CN(C(=O)OC(C)(C)C)C2)sc1B1OC(C)(C)C(C)(C)O1 2255860922 ITRBDPVCALREGU-UHFFFAOYSA-N 452.382 2.067 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)NCc2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2256741017 DFBJZMYGEKDSRK-OAQYLSRUSA-N 452.382 2.035 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCOC[C@@H]1NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2267417352 BZFPGSVYGKIAPZ-CABCVRRESA-N 488.437 2.008 30 10 JEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1nc(C)sc1B1OC(C)(C)C(C)(C)O1 2267478200 VCQVPLNHAZNQNA-ZIAGYGMSSA-N 467.397 2.115 30 10 JEEE CC1(C)OB(c2cnc(C(=O)N3CC[C@@](C)(NC(=O)C(F)(F)F)C3)c(Cl)c2)OC1(C)C 2267536320 BLWGYIYDTONNMD-GOSISDBHSA-N 461.677 2.317 30 10 JEEE Cn1ncc(C(=O)NCc2ccnc(NC(=O)OC(C)(C)C)c2)c1B1OC(C)(C)C(C)(C)O1 2281822682 BALFHBULFLHEEH-UHFFFAOYSA-N 457.340 2.391 30 10 JEEE Cn1nc(C(=O)N[C@@H]2CN(Cc3ccccc3)CC(F)(F)C2)cc1B1OC(C)(C)C(C)(C)O1 2281970928 GCKTUBIVALCXRH-KRWDZBQOSA-N 460.334 2.359 30 10 JEEE Cn1nc(C(=O)NC[C@@]2(C)CCCN(C(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2281971869 LFKHXHPKDDYJMK-HSZRJFAPSA-N 462.400 2.486 30 10 JEEE CC(C)(C)OC(=O)N1CC(N(C(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)[C@@H]2CCOC2)C1 2281999124 BYTATKTZECGCSB-CQSZACIVSA-N 479.408 2.293 30 10 JEEE Cn1nc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)CC2(F)F)cc1B1OC(C)(C)C(C)(C)O1 2282055645 HMNGNSRWZNLQNQ-AWEZNQCLSA-N 470.326 2.094 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@](C)(CNC(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)C1 2282523947 FOMBAPMRXWDQJT-JOCHJYFZSA-N 481.424 2.446 30 10 JEEE Cn1cc(C(=O)NCC2CC(F)(CNC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2282544580 FGSONERMCBYPOG-UHFFFAOYSA-N 466.363 2.092 30 10 JEEE Cc1c(C(=O)NCCC2(CNC(=O)OC(C)(C)C)CC2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282555482 UEHFBHJRNVVWOH-UHFFFAOYSA-N 462.400 2.453 30 10 JEEE Cn1ncc(C(=O)N2CC[C@H](C3CN(C(=O)OC(C)(C)C)C3)C2)c1B1OC(C)(C)C(C)(C)O1 2282568465 CIBZUCNWNUAQHZ-HNNXBMFYSA-N 460.384 2.048 30 10 JEEE CN(C)CCCN(CCNC(=O)OC(C)(C)C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2282600458 UPRMMYLEQXVUTC-UHFFFAOYSA-N 482.456 2.361 30 10 JEEE Cc1cnc(C(=O)N2CC[C@H](NC(=O)C(F)(F)F)[C@@H](C)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2282644809 NWALNMZIOWUVAE-ZFWWWQNUSA-N 455.286 2.218 30 10 JEEE Cc1nc(S(=O)(=O)N(CCCN(C)C)Cc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)n1C 2282866556 LNNJNJCLAAZMKX-UHFFFAOYSA-N 476.452 2.170 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](CNC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1(C)C 2283070334 WJVLUIBSELGEBI-HUUCEWRRSA-N 460.384 2.445 30 10 JEEE COc1ccc(NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2283960149 VCHMRORLDQXEJM-KDOFPFPSSA-N 462.352 2.303 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2[C@H](C1)OC[C@@H]2C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2283980869 FRTPMKTWPYZCKO-IKGGRYGDSA-N 459.352 2.201 30 10 JEEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)[C@H](CCC(N)=O)NC(=O)OC(C)(C)C 2284053361 NQUXKPRXPOOCEB-HNNXBMFYSA-N 481.424 2.165 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1)[C@H](O)C(C)(C)C 2284062124 ISSZCVRDORFJKE-CABCVRRESA-N 483.440 2.359 30 10 JEEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@@H](COCc3ccccc3)C(=O)O)cc2F)OC1(C)C 2284395012 GKJXURZSMDWFIW-IBGZPJMESA-N 479.335 2.073 30 10 JEEE CN(Cc1ccccc1)C[C@H](NC(=O)c1cccc(F)c1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284423158 NBXCGIANUOMQQC-IBGZPJMESA-N 456.323 2.440 30 10 JEEE COc1ccc(C(O)=C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(OC)c(OC)c2)cc1 2295982159 SGRLCOBYUJFTHN-QHCPKHFHSA-N 482.533 2.466 30 10 JEEE COc1cc([C@H]2C(=C(O)c3ccc(C)o3)C(=O)C(=O)N2CCN2CCOCC2)cc(OC)c1OC 2296103048 NASHGJLBPWQSGU-NRFANRHFSA-N 486.521 2.368 30 10 JEEE CO[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)N(C(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C1 2337400136 OYIFMKRFXAPJBO-ZIAGYGMSSA-N 467.397 2.197 30 10 JEEE C[C@@H]1CCCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)[C@H]1CNC(=O)OC(C)(C)C 2362352193 BMCAVHSTKNFHSW-CVEARBPZSA-N 462.400 2.485 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](CNC(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)N2CC[C@H]1C2 2368744288 FOAYNCXUKSHOHH-IRXDYDNUSA-N 461.368 2.002 30 10 JEEE COc1ccccc1CNC(=O)CCSc1nnc(N/N=C/c2cnn(C(C)C)c2)n1N 20921445 YBRCXIMWEYHWDF-AUEPDCJTSA-N 457.564 2.023 30 10 JEEE C=CCn1c(=O)c2ccc(C(=O)N[C@H](C)CC)cc2n2c(=O)n(CC(=O)Nc3cccc(C)c3)nc12 64581540 BYUFZKBFEVSGNY-QGZVFWFLSA-N 488.548 2.472 30 10 JEEE CO[C@@H]1[C@H](C)O[C@H](OC[C@@]23C[C@H]4[C@H](CC[C@H]4C)[C@@]4(C=O)C[C@H]2C=C(C(C)C)[C@]43C(=O)O)[C@@H](O)[C@@H]1O 255992031 OGGVRVMISBQNMQ-AQVPQITNSA-N 492.609 2.409 30 10 JEEE CC1CCC(C#N)(N(C)C(=O)[C@H](C)Sc2nnc(C[C@@H]3CCS(=O)(=O)C3)n2C)CC1 480851985 BIEVXPSGQQZOBV-FZTQNYJHSA-N 453.634 2.204 30 10 JEEE C=C(C)C[C@H](NC(C)=O)C(=O)N1CCN(CC(=O)Nc2ccc(Br)cc2)CC1 1126980407 YUNPYMNTMFWZAK-SFHVURJKSA-N 451.365 2.003 30 10 JEEE COc1ccc(NS(C)(=O)=O)cc1NC(=O)N1CCN(c2snc(C)c2C#N)CC1 1218302764 FJKBLJRDKPHYHM-UHFFFAOYSA-N 450.546 2.057 30 10 JEEE C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)NC2CCN(c3ccccc3C#N)CC2)CC1 1234036052 HDYADWCZYPBSIF-HXUWFJFHSA-N 452.603 2.255 30 10 JEEE C#CCCCn1c(Cc2csc(C)n2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1286354764 VKOIAHBPJVHCKA-UHFFFAOYSA-N 452.588 2.481 30 10 JEEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCn1cc(Br)cn1 1286367887 NQUVJQPBAISLFB-UHFFFAOYSA-N 467.335 2.040 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1Cc1ccc(OC)cc1F)[C@@H]1CCS(=O)(=O)C1 1286394209 VLKJJANFVFGBHB-GOSISDBHSA-N 489.598 2.457 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CSc3ccccc3OC)n2Cc2ccn(C)n2)CC1 1286495398 VAPCFMTYGQGNOU-UHFFFAOYSA-N 479.610 2.327 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)NCC)CC1 1286496124 NWFGJNAHVXHPOW-UHFFFAOYSA-N 469.615 2.365 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCOC2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1286554534 HRWXGQYWQRPCFQ-NSHGMRRFSA-N 467.636 2.014 30 10 JEEE C=C(C)COCCn1c(-c2ccc(OC)cc2OC)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1286604017 NDDVLTXTSQNJMA-MRXNPFEDSA-N 450.561 2.178 30 10 JEEE C=CCn1c(CCOc2ccccc2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1286776621 MXANIKUOXWGMNT-HSZRJFAPSA-N 454.619 2.317 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC=C(C(F)(F)F)CC1 1286786830 JIEFWHBVIVHQPA-UHFFFAOYSA-N 473.459 2.193 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2cnn(C)c2C)C1 1286808921 FLSSGOXPJFCVFX-UXHICEINSA-N 487.605 2.458 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@@H]1CC 1286820204 HAHZGJNIHQBAFL-IBGZPJMESA-N 459.620 2.432 30 10 JEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc(OCC)n2)CC1 1286832799 ZEEWPEFDGHCTMV-GOSISDBHSA-N 492.671 2.220 30 10 JEEE C[C@]1(C(N)=O)CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCCCC2)C1 1288995136 HYXCDZAVBTZFMF-DEOSSOPVSA-N 451.575 2.306 30 10 JEEE C[C@@H]1C[C@@H](C)CN(CCCn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@H](C#N)C2)C1 1291014671 GQVYCCBDJRYFNO-GUDVDZBRSA-N 471.631 2.366 30 10 JEEE CCOC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCOCC2)C1 1296410562 AJFIAXFXHUYQRW-IBGZPJMESA-N 454.531 2.073 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(=O)N[C@@H](C)CC)c1 1300307093 BNIHYBQSLMJFOX-ABSDTBQOSA-N 457.600 2.215 30 10 JEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1300421489 IHCUTSPFWYSDEA-GOSISDBHSA-N 456.616 2.373 30 10 JEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1[C@@H]1CCC[C@H](C(F)(F)F)C1)[C@@H]1CCS(=O)(=O)C1 1300478811 BZHWGRKYDSKASY-GVDBMIGSSA-N 487.548 2.434 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1[C@H]1C[C@H](c2ccccc2Cl)C1 1300538901 VSROBQGXIOBYFJ-WFXMLNOXSA-N 488.013 2.456 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CCNC(=O)c1ccccc1F 1300579863 YMSCZUQHDJRPJY-UHFFFAOYSA-N 462.485 2.038 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCCOC2)n1CCCN1CCN(c2ccncc2)CC1 1300580708 FWAHKBGMDDVSJX-QHCPKHFHSA-N 461.614 2.242 30 10 JEEE C#CCN1CCN(c2nnc(COCC)n2C[C@@H](c2ccccc2OC)N2CCCC2)CC1 1300710301 ZQINRWSCBPHYSV-QFIPXVFZSA-N 452.603 2.416 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2Cc2ccc(S(C)(=O)=O)cc2)CC1 1300718277 ILZZRBONURFXNU-UHFFFAOYSA-N 481.578 2.264 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCc2nnc(C)s2)CC1 1300718382 MGFACUKKALEIKT-UHFFFAOYSA-N 480.554 2.222 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(Cl)s2)CC1 1300728619 BQMPSDOUXKDJLG-UHFFFAOYSA-N 460.991 2.130 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@](C)(O)C2CCCCC2)CC1 1300729317 VNVYBLIFAJBSPG-SANMLTNESA-N 481.645 2.437 30 10 JEEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCCN(C(=O)Cc2cccc(F)c2)CC1 1300755311 QYQOWFDVOQCLNE-UHFFFAOYSA-N 481.601 2.466 30 10 JEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1cccs1)N1CCCC1 1301296071 FBDWSQJXPIRUHT-QZTJIDSGSA-N 480.660 2.132 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCOC2(CCCC2)C1 1301483669 SZOYREBESOUDHY-UHFFFAOYSA-N 463.380 2.498 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1301515016 OUZHESZTNDFTNY-UHFFFAOYSA-N 492.971 2.406 30 10 JEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(O)cc2)CC1 1301611478 CETKGYBBEHTZJE-QGZVFWFLSA-N 463.629 2.132 30 10 JEEE CC[C@H](C)NC(=O)c1cccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)c1 1305622637 HCTXGRYBXKKHPD-DLBZAZTESA-N 487.630 2.205 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@]2(O)CCSC2)c1 1358901139 ALSZRWUIWGXBJZ-JWQCQUIFSA-N 499.637 2.243 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CCC2CCOCC2)c1 1358902443 OODLBNLILLIGCC-HXUWFJFHSA-N 450.543 2.102 30 10 JEEE C#CCCCCn1c([C@@H]2CCOC2)nnc1N1CCCN(Cc2nc([C@H](C)OC)no2)CC1 1358912547 SVZINMVLMDNKJX-RBUKOAKNSA-N 457.579 2.388 30 10 JEEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1cccc(C(=O)N(C)C)c1 1358948793 LGOHZGOMIDKWOV-UHFFFAOYSA-N 458.570 2.272 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H](C)Oc1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 1358960418 DPZCZWMEVNBLNZ-QUCCMNQESA-N 481.578 2.443 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCCn2ccnc2C)CC1 1359040259 NRFWAFXXKIUQRT-OYRHEFFESA-N 482.633 2.399 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccc1F 1359099941 VBKNHSDXZDZKKA-GIVPXCGWSA-N 493.605 2.368 30 10 JEEE C=CCCCCn1c(N2CCN(c3cnn(C)c3)C(=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1359206559 IWDBSOLIKVLGFV-HSZRJFAPSA-N 457.579 2.262 30 10 JEEE C=CCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1359223277 GCWLPNPHHDWRLU-SIKLNZKXSA-N 489.642 2.098 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCC[C@H]1C 1359258728 ADXOARJREVPORQ-IRLDBZIGSA-N 488.658 2.288 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CCCN2C(=O)OC(C)(C)C)C1 1359312911 CPEQLMRGODJSFR-KZNAEPCWSA-N 498.650 2.069 30 10 JEEE C=CCSCCn1c(CC(C)(C)C)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1359342548 ADHXPNVFVPIUDK-UHFFFAOYSA-N 481.692 2.339 30 10 JEEE CC(C)C(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2COCCO2)C1 1359627203 DXSSWXLIKOUOBH-TZIWHRDSSA-N 452.559 2.221 30 10 JEEE C#CCN(c1nnc(COCC)n1Cc1ccc(OC(F)(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 1507639292 XFAKUCSAMVJTFF-MRXNPFEDSA-N 472.489 2.388 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CC(F)(F)F)CC1 1507736906 UVVXNNKZUNSLAB-UHFFFAOYSA-N 497.547 2.075 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(CSC)cc2)CC1 1507741002 SKHCBWIKWMGMGG-UHFFFAOYSA-N 480.638 2.278 30 10 JEEE C#CCSCCn1c(-c2cccc(Br)c2)nnc1N1CCN(CCOC)C(=O)C1 1507744805 PHIDKBSQBSPGGZ-UHFFFAOYSA-N 478.416 2.369 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H](C)N1CCN(CC)CC1 1507762411 YWWVICKMWKODNG-FTBPSBKWSA-N 458.651 2.337 30 10 JEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCN(c2cccc(OC)c2)CC1 1507847186 HTSHYTCDQOQGGH-UHFFFAOYSA-N 454.575 2.328 30 10 JEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccccc2CN2CCCC2=O)CC1 1507897289 PAZQSARZVYPTNK-SFHVURJKSA-N 486.642 2.461 30 10 JEEE C=CCCOCCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1507967901 OHXDGBPDWHEYHR-IBGZPJMESA-N 455.559 2.433 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1508071921 GXEPRYLBGOJMOH-UHFFFAOYSA-N 462.945 2.494 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1508135025 DDZIVAYPTBKHNM-CKJXQJPGSA-N 482.006 2.367 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1508144565 UXBYUVPVFDEUKX-FQEVSTJZSA-N 485.610 2.461 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCSC(C)(C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1508149016 NHHZYDHBNLZUEH-HXUWFJFHSA-N 458.650 2.251 30 10 JEEE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3ccc(C#N)cc3)n2CCCCN2CCOCC2)C1 1508188104 RRUIJYBACBQOJL-QFIPXVFZSA-N 465.602 2.234 30 10 JEEE CC(C)(C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCN1CCOCC1(C)C 1508513976 BOSXTSFUVBKDCK-UHFFFAOYSA-N 452.607 2.280 30 10 JEEE CC(C)NC(=O)c1nnc(N(C)[C@H](C)CC#N)n1Cc1ccccc1CN1CCC[C@H]1CO 1509577532 GEMHTAPXKJBNNP-NQIIRXRSSA-N 453.591 2.160 30 10 JEEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCN(C)C1CCCC1 1516591437 AVKDNPFMHCFAON-GOSISDBHSA-N 453.595 2.066 30 10 JEEE COc1ccc(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@H]2CCCN2CCCO)cc1 1518329683 HATBTOZOGMSRTK-FDDCHVKYSA-N 458.538 2.154 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CC[C@H](F)C2)c1 1539043946 XLTRZARREHPHEL-OTWHNJEPSA-N 473.574 2.375 30 10 JEEE C#CCCCn1c(CCc2ccc(OC)cc2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1539133770 KBKNJTWDNCLIEA-IBGZPJMESA-N 462.558 2.017 30 10 JEEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(CC)s1)[C@@H]1CCS(=O)(=O)C1 1539205975 LCQCQLFYYYZUDV-VGOFRKELSA-N 478.640 2.229 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@H]1CCCN(C(C)=O)C1)[C@@H]1CCS(=O)(=O)C1 1539210933 IHPLYKIBALWLBK-LEWJYISDSA-N 469.611 2.139 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(NC(=O)CCC)cc1 1539266089 LUTRPAMJWWATBZ-IBGZPJMESA-N 453.568 2.040 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2(CCOC)CCC2)CC1 1539466797 HHSJUAOHSLTAAB-UHFFFAOYSA-N 479.585 2.098 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccc(F)c1F 1539557393 SKJMOWWIDBYGET-PGRDOPGGSA-N 479.553 2.124 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1539622177 DTOMICARZWIVCP-IOMROCGXSA-N 470.599 2.268 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCn1cnc2ccccc21 1539668489 AEHONNTZSRWXKA-HXUWFJFHSA-N 473.603 2.063 30 10 JEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccccc2CN2CCCC2=O)CC1 1539828271 HBXYVSZBRJJBDW-GOSISDBHSA-N 472.615 2.215 30 10 JEEE C=CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1540000124 ZWBXBCOBYRSGOU-GOSISDBHSA-N 499.641 2.266 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCn2nc(C)nc2C1 1540875354 JAOMECGSZPZSAC-UHFFFAOYSA-N 458.979 2.446 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCO[C@]2(CCOC2)C1 1540900038 JEJODIUBSBORSL-OAQYLSRUSA-N 482.990 2.204 30 10 JEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CC[C@@H](c2ccc(F)cc2)C1 1540907083 LCRGEXZIWUTHLY-GOSISDBHSA-N 461.563 2.134 30 10 JEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(C(=O)NCCN2CCCC2)cc1 1586290751 ONILHTFKWAMAQO-NRFANRHFSA-N 456.587 2.435 30 10 JEEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 1587783611 UUSCROGYKQLJDX-YADHBBJMSA-N 483.661 2.021 30 10 JEEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1C[C@@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1588090649 ZZBJAYIIQHNYDW-FUSMBFRDSA-N 499.612 2.027 30 10 JEEE C=C(C)C[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Br)C(=O)OC 1588127631 XCIUNRIOGQSXJQ-MRXNPFEDSA-N 459.362 2.471 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCNS(=O)(=O)CC 1588459474 YADFXWZXTDYWSG-KRWDZBQOSA-N 468.624 2.139 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCC2CCN(CC)CC2)CC1 1588864458 DLSCEMPJYJCZIQ-UHFFFAOYSA-N 469.659 2.147 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2C[C@]2(N(C)C)CCSC2)CC1 1588871815 RJOQJFRVNMSSAP-HSZRJFAPSA-N 458.607 2.189 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CC(F)(F)C2(OC)CCOCC2)CC1 1588884958 PPIHOJMQTPCNCZ-UHFFFAOYSA-N 467.561 2.372 30 10 JEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC=C(Br)C1 1594733627 WLWPKOWUNFFTHZ-OAHLLOKOSA-N 460.398 2.066 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H]1CCOC1 1595162188 YTSOZCGOXJYFKF-IEBWSBKVSA-N 481.644 2.292 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC(CN2CCOCC2)CC1 1595477113 RASAOYRLTLXNBR-IBGZPJMESA-N 486.592 2.408 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCOC(C)(C)C 1595551429 QNCCJQYSGFZQAZ-QGZVFWFLSA-N 480.610 2.140 30 10 JEEE CC(C)(C)[S@](=O)CCn1c(-c2cnccn2)nnc1N1CCN(c2ccccc2C#N)CC1 1597705696 DAGGRGPVKDMSRQ-MGBGTMOVSA-N 464.599 2.481 30 10 JEEE CCN1CCN(CCCn2c(-c3cccc(C#N)c3)nnc2N2C[C@H](C)O[C@@H](COC)C2)CC1 1615888582 FIUOPWWUKPTPCL-NZQKXSOJSA-N 467.618 2.084 30 10 JEEE C#CCN1CCN(C(=O)CN[C@H](C(=O)OCC)c2ccc(Br)c(Cl)c2)CC1 1654876102 XKDFINXKHIZNQG-SFHVURJKSA-N 456.768 2.074 30 10 JEEE C#CCSCCNC(=O)N1CCN(C(=O)c2ccccc2I)CC1 1677865949 OLFNQRTXQYESBU-UHFFFAOYSA-N 457.337 2.125 30 10 JEEE C#CCN(c1nnc(C2CCCC2)n1CC1(SC)CCN(C)CC1)[C@H]1CCS(=O)(=O)C1 1689991208 YHASUHAYIYXAQO-IBGZPJMESA-N 465.689 2.390 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@H](C)c1ncc(C)s1)[C@@H]1CCS(=O)(=O)C1 1689991762 BZUKURAGUPVIRV-QFBILLFUSA-N 470.624 2.459 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1[C@H]1C[C@H](c2ccc(F)cc2)C1 1690077629 SRQLZPVWIBOFKF-MISYRCLQSA-N 461.563 2.328 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2C[C@@H](COC)OC)CC1 1690117402 GLSONRDDEYPMPR-KRWDZBQOSA-N 478.391 2.133 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(N2CCCCC2=O)CC1 1690236060 HYCLEGRLSQQSTI-NQIIRXRSSA-N 458.607 2.379 30 10 JEEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(c2ncccc2F)CC1 1690452025 VIIGPWKPLUCHLU-QGZVFWFLSA-N 465.599 2.495 30 10 JEEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(N2CCSCC2)CCCCC1 1690515359 LEGLTHGSRZIFQW-KRWDZBQOSA-N 456.682 2.262 30 10 JEEE C=CCN(c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(O)CCO[C@H]1C)C1CC1 1690545018 HXCPWSGJPHSHBB-CEXJFXJFSA-N 463.579 2.281 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCC(=O)N2)n1CC1(O)CCN(C(C)C)CC1 1690607327 KHJMMEYNXLTWQE-HXUWFJFHSA-N 456.591 2.293 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCC(NC(=O)NC2CCCCC2)CC1 1690725257 KDTAXPCRVLCTFF-UHFFFAOYSA-N 452.625 2.042 30 10 JEEE C=CCSCCn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1690744652 RABIELYGGGVOKK-MSOLQXFVSA-N 457.666 2.199 30 10 JEEE CC(C)(C)NC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCSC2)CC1 1691210772 ACIWRPRLDTXQNH-QHCPKHFHSA-N 469.615 2.315 30 10 JEEE CC(C)CN1CCO[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N(CCS(C)(=O)=O)C2CC2)C1 1692433762 DXBKQDBUZSOIIK-JOCHJYFZSA-N 486.642 2.187 30 10 JEEE Cc1nn(Cc2ccccc2)c(C)c1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C[C@H](C)C#N 1693407680 BWURYADITAZOMH-SJLPKXTDSA-N 484.630 2.394 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1Cc1nnc2n1CCC2 1705491359 BNPWJPYHZBMCRO-MRXNPFEDSA-N 454.579 2.437 30 10 JEEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1CCN(C(=O)OC)CC1 1705549992 PKNNPTDCFTVEKI-UHFFFAOYSA-N 463.542 2.223 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@@H]1CN(CC(C)C)CCO1)[C@@H]1CCS(=O)(=O)C1 1705570097 MOWJMRAGWXMQQO-RPWUZVMVSA-N 499.681 2.047 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(COc3ccccc3)o2)n1CCC(=O)N1CCOCC1 1705577637 NRNWXIQLDNEKAZ-UHFFFAOYSA-N 473.533 2.439 30 10 JEEE C#CCN1CCN(c2nnc(CC3CCCC3)n2CC[C@H](C(F)F)N2CCOCC2)CC1 1705641642 NNUFATHFBNLCAV-HXUWFJFHSA-N 450.578 2.122 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCCc3ccccc3)n2C[C@@H]2CCOC[C@H]2OC)CC1 1705650603 VBBZAQOJUVYHSJ-BJKOFHAPSA-N 479.625 2.471 30 10 JEEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1705663013 SRYYWSCWQNGLOU-FQEVSTJZSA-N 481.670 2.200 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCS(=O)(=O)CC 1705672139 MGCVSJRXHDENGK-HSZRJFAPSA-N 468.583 2.102 30 10 JEEE C=C(Br)Cn1c(-c2ccccn2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1705683567 LUSPBBQSAJDNLK-OAHLLOKOSA-N 460.336 2.015 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(OC(C)(C)C)CC1 1705896408 LNIHYPUYFNMLBP-UHFFFAOYSA-N 475.615 2.435 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCc2nn(C)c(=O)cc2C1 1705897635 QFEOWQCQENNADQ-HNNXBMFYSA-N 483.960 2.030 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@H](F)COC)C1 1705924689 FSVLGRFSOFIJRP-KZNAEPCWSA-N 469.558 2.352 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)[C@@H]1CCSC1 1705934162 CTNVLYSXIXVZNZ-MRXNPFEDSA-N 488.639 2.217 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CCC2(CCN(C)C2=O)CC1 1705938473 ZQALDNAEKLTBQO-UHFFFAOYSA-N 487.626 2.215 30 10 JEEE CC(=O)NC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCC(C)CC2)CCO1 1706054656 FHOIIYUWIQXANE-DEOSSOPVSA-N 495.628 2.192 30 10 JEEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@](C)(O)c2ccc(F)cc2)C1 1706934695 DXJAMYPNGJEJFD-HVETUWLQSA-N 461.563 2.357 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCOC1CCOCC1 1722278384 DJNKVLAMHHHTHJ-GOSISDBHSA-N 475.615 2.239 30 10 JEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCOCC1CCOCC1 1722350294 SZIFZODPKGHZNV-UHFFFAOYSA-N 460.604 2.141 30 10 JEEE C#CCN(c1nnc(C(C)C)n1Cc1ccc(OCC(F)(F)F)nc1)[C@@H]1CCS(=O)(=O)C1 1722358959 NYMUHOWCBQWJTN-MRXNPFEDSA-N 471.505 2.413 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCCCN2C[C@H](C)C[C@@H](C)C2)CC1 1722441166 MQIOLJWBYDYEKF-NHCUHLMSSA-N 485.677 2.140 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCOc2cccc(F)c2)CC1 1722453446 SVMLMGIENAGAQL-UGKGYDQZSA-N 485.560 2.186 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C 1722475621 WHGRZRNDNWNGEK-GSHUGGBRSA-N 465.620 2.428 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)Cc1ccc(C)o1 1722726514 CJQPKCDPSLAUAE-UHFFFAOYSA-N 482.566 2.331 30 10 JEEE Cc1cccc([C@H](C)Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@H](C)C#N)c1 1724169144 DXAVPOOBWHXQKW-GGPKGHCWSA-N 460.604 2.319 30 10 JEEE Cc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@@H](C)C#N)c(O[C@H]2CCOC2)c1 1724356011 IDPQQHHMTMEMEB-SXLOBPIMSA-N 473.599 2.301 30 10 JEEE CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@H](OC)c1ccccc1 1729064933 FLQRHSPBRAGVMP-NRFANRHFSA-N 464.574 2.443 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CCCN1CCCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1740625507 OGTJWWNULRLAME-IRLDBZIGSA-N 470.643 2.155 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1C[C@@H](C)N(CC)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1740627637 RPSVFTRGRARYHN-CEXWTWQISA-N 495.646 2.054 30 10 JEEE C#CCN(c1nnc(COCC)n1Cc1nc2c(s1)C[C@H](C)CC2)[C@H]1CCS(=O)(=O)C1 1740629079 ZYSCOMPYUJXUIN-CVEARBPZSA-N 463.629 2.071 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCN(CC)C(C)C 1740639412 BEMRHWLDIKJFMC-FQEVSTJZSA-N 458.607 2.390 30 10 JEEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCNC(=O)c1cccc(OC)c1 1740669140 OEDDDTITMOIDLH-UHFFFAOYSA-N 495.609 2.136 30 10 JEEE C#CCN1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CCCOC(F)(F)F)CC1 1740693192 UQSHRVLUUPHNAR-UHFFFAOYSA-N 499.563 2.228 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OC)n2C[C@@]2(O)CCC[C@H]2C)CC1 1740707415 BDSRWORHUMIJAN-BCHFMIIMSA-N 481.597 2.383 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(OCC)c(OC)c1 1740782214 HFVLOQKRLHPZLY-FQEVSTJZSA-N 479.603 2.231 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCO[C@H](CCc2ccccc2)C1 1740989932 CFMCJNHCGVUVEN-HXUWFJFHSA-N 468.583 2.174 30 10 JEEE C[C@@H](c1ccco1)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1741791894 FWIRRMKBTQFGKD-AOMKIAJQSA-N 471.539 2.069 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(CC)CC)n2C[C@]2(C)COCCO2)c1 1748689600 DXPXGSGWFWBLBB-RUZDIDTESA-N 482.585 2.058 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@H](OC)C(C)(C)C)c1 1748692969 UIRYJAJGRQSLHR-MOPGFXCFSA-N 452.559 2.347 30 10 JEEE C#CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCC[C@@H](C(=O)NC)C1 1748748294 WKVRUTJMFXWJCX-GOSISDBHSA-N 461.570 2.441 30 10 JEEE C#CCN(c1nnc([C@@H](CC)c2ccccc2)n1CC(C)(C)C(=O)NC)[C@H]1CCS(=O)(=O)C1 1748805936 YOOZPKCUUOFEAH-PMACEKPBSA-N 471.627 2.219 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@](C)(O)CCC)[C@H]1CCS(=O)(=O)C1 1748808885 HXJRPPWDUQCFEW-FDDCHVKYSA-N 476.599 2.140 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC1(C(N)=O)CCOCC1 1748868624 BMJBQNKLTWVVLK-UHFFFAOYSA-N 457.538 2.080 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2Cc2ccc(C[S@](C)=O)cc2)CC1 1749014749 MXVKQFBVYARAKC-YTTGMZPUSA-N 455.628 2.369 30 10 JEEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1749044593 RYHNFFWXWKCVMM-MRXNPFEDSA-N 452.506 2.135 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(C(=O)NC)cc1 1749129905 HZXLNRPWLUHDOJ-HKBOAZHASA-N 487.626 2.157 30 10 JEEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CCOC)[C@H](C)C1 1749271073 MOVQFCLIMZWMKX-MSOLQXFVSA-N 485.029 2.496 30 10 JEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1749755409 GUWMLZSYFNHCJV-SFHVURJKSA-N 493.630 2.201 30 10 JEEE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3cccc(C#N)c3)n2CCCCCS(C)(=O)=O)C1 1749793552 XPKOHCCZBXVISB-FQEVSTJZSA-N 472.615 2.336 30 10 JEEE C[C@@H]1SCCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)[C@@H]1C 1752459861 ABQZUKIBMWRCOT-SJORKVTESA-N 476.628 2.094 30 10 JEEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2c(CC)nn(C)c2Cl)CC1 1760137249 QACBNRHFLIHHFB-IBGZPJMESA-N 473.025 2.304 30 10 JEEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1CCOC[C@@H]1C 1760249781 SXWNWDJEURVBAA-FPOVZHCZSA-N 453.591 2.211 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@H]2CCN(c3ccccc3F)C2)CC1 1760257364 UTSFUYKFMZXYDS-SFTDATJTSA-N 470.593 2.423 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCCN(C(C)=O)CC1 1760324773 MRYRSINWWNFYFC-RXVVDRJESA-N 472.615 2.309 30 10 JEEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN([C@H](C)c2nc(CC)no2)CC1 1760507538 MGASVXHOZXXISQ-MRXNPFEDSA-N 471.587 2.363 30 10 JEEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1760527002 WXCFQZNJGTWCFQ-LJQANCHMSA-N 452.559 2.059 30 10 JEEE C[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1)N(C)C(=O)OC(C)(C)C 1761396020 HSMPDKXBILVJJI-LPHOPBHVSA-N 480.573 2.286 30 10 JEEE CCS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCc2sccc2C1 1766730002 CYLPRAPPNCPCFR-UHFFFAOYSA-N 472.596 2.292 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)N(C)C[C@H]2CCCO2)cn1Cc1ccncc1 1870548004 RGVKBUUIJOCNQO-HSZRJFAPSA-N 466.582 2.482 30 10 JEEE C=CCN(CC=C)c1nc(=NC[C@H]2CCCO2)[nH]c(=Nc2cc(OC)c(OC)c(OC)c2)[nH]1 1871564115 VXKFVIKCCDFLQK-QGZVFWFLSA-N 456.547 2.254 30 10 JEEE C=CCn1c(C(=O)N(C)CCO)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873560978 PPQVMJSDQQPEFS-UHFFFAOYSA-N 450.543 2.017 30 10 JEEE CC(C)N1C[C@@H](c2nnc(SCC(=O)Nc3nccs3)n2/N=C/c2cccnc2)CC1=O 1874338792 YIGGVGAZSYBBDD-MQEPLNOPSA-N 470.584 2.467 30 10 JEEE CC(C)(C)OC(=O)N[C@]1(CCC(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CCOC1 2180982287 FDAVRGYVXVKWTO-JOCHJYFZSA-N 462.356 2.178 30 10 JEEE CC(C)(C)OC(=O)N1[C@H](COc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)CCS1(=O)=O 2224132954 ZOIVXXWQNXLREP-HNNXBMFYSA-N 454.354 2.099 30 10 JEEE C=C(CS(=O)(=O)NC[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2255793913 DPRVVZRKCIWZIR-OAHLLOKOSA-N 460.402 2.465 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](O)CN(C(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2255810072 HMOVBFLYLBLPCZ-KGLIPLIRSA-N 452.382 2.147 30 10 JEEE CC(C)(C)OC(=O)N1CC([C@H](F)CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)C1 2255835569 OODDBUBDISDKJU-CYBMUJFWSA-N 455.361 2.377 30 10 JEEE CC(C)(C)OC(=O)N[C@](C)(CC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)C1CC1 2256626266 HWSWMXJOBVUTKE-HXUWFJFHSA-N 452.386 2.281 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C=CC[C@@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2256627667 XBYWFQGTNQKWKV-CHWSQXEVSA-N 450.370 2.057 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H](NC(=O)C(F)(F)F)CC[C@H]1C 2267121961 FKMVUZLYEONSSL-PWSUYJOCSA-N 461.315 2.422 30 10 JEEE C=C(CS(=O)(=O)NCCCN(C)CCCNC(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2267467423 NJHJCQXCSQFKGP-UHFFFAOYSA-N 475.461 2.330 30 10 JEEE Cc1c(B2OC(C)(C)C(C)(C)O2)csc1C(=O)NC1(C(=O)O)CN(C(=O)OC(C)(C)C)C1 2267583079 MMWIRTHKPXQSOF-UHFFFAOYSA-N 466.365 2.160 30 10 JEEE Cc1cc(C(=O)N[C@@]2(CO)CCN(C(=O)OC(C)(C)C)C2)sc1B1OC(C)(C)C(C)(C)O1 2267603665 GQOFEIQZWFFLSY-QFIPXVFZSA-N 466.409 2.457 30 10 JEEE COc1ccc(NC(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2268713270 XWGSHJZWUCGMIU-QGZVFWFLSA-N 450.341 2.209 30 10 JEEE CC(C)(C)OC(=O)N[C@]1(C(=O)O)CCN(c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2268995911 FLSKVKQVFYPRES-OAQYLSRUSA-N 451.304 2.078 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]1CCCN2C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2282031364 RCDJWMSXJHRQFP-IRXDYDNUSA-N 458.368 2.390 30 10 JEEE Cc1cnc(C(=O)N2CCOC[C@H](NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2282068125 YXUHXBBGVHVRRV-MRXNPFEDSA-N 461.368 2.055 30 10 JEEE CCC1(NC(=O)OC(C)(C)C)CCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CC1 2282171014 DZXGIYVRCKLINS-UHFFFAOYSA-N 463.388 2.024 30 10 JEEE Cc1nc(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)s1 2282522585 MQDVXKZDVGZMKR-KKUMJFAQSA-N 481.424 2.145 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@]23CC[C@H]2CN(Cc2ccccc2)C3)n1 2282536349 BCVVGCGARHVCLT-UQBPGWFLSA-N 450.392 2.361 30 10 JEEE CC1(C)OB(c2c[nH]c(C(=O)N3CCO[C@H]4CCN(Cc5ccccc5)C[C@@H]43)c2)OC1(C)C 2282645504 JIZYRULWMKCCSY-VXKWHMMOSA-N 451.376 2.429 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2OCCN(C(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)cc3)[C@H]2C1 2282666593 IKVCHWAEOVWWFH-OALUTQOASA-N 458.364 2.446 30 10 JEEE Cc1ccc(C(=O)NC[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2282687691 JFVRMTKTVWXUEB-DEOSSOPVSA-N 460.380 2.396 30 10 JEEE C[C@@H]1CN(S(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CC[C@@H]1NC(=O)OC(C)(C)C 2282829594 HAOPZGZPKWFUSW-QAPCUYQASA-N 481.424 2.305 30 10 JEEE CC[C@](C)(CNS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)N(C)Cc1ccccc1 2282830014 NXXOWIHGVYEFBX-HSZRJFAPSA-N 476.452 2.298 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](NS(=O)(=O)c2ccc(F)cc2B2OC(C)(C)C(C)(C)O2)CCO1 2282831868 FRXNBGQMSUPJKR-OAHLLOKOSA-N 486.371 2.344 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H](CNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)C(F)(F)F 2283060820 OASOXDBBUUURNQ-GFCCVEGCSA-N 474.289 2.209 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)N1CCc2c(cccc2B2OC(C)(C)C(C)(C)O2)C1 2283977080 LMVBJFPZXUCVCL-HNAYVOBHSA-N 460.380 2.145 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N1CCc2c(cccc2B2OC(C)(C)C(C)(C)O2)C1 2284066693 XDKMZNDHDKFLDO-KRWDZBQOSA-N 460.380 2.146 30 10 JEEE CC(C)(C)OC(=O)NC(C)(C)[C@@H](O)C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2285180095 BIYSFKQWQJXUHE-KRWDZBQOSA-N 466.359 2.405 30 10 JEEE COc1ccc(C(O)=C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 2296136172 SHTGIWOOTPTZGJ-NRFANRHFSA-N 467.478 2.357 30 10 JEEE CC(C)(C)OC(=O)N1CC([S@@](C)(=O)=NC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C1 2315639383 BFKMJEZWGBUDRQ-WJOKGBTCSA-N 471.410 2.300 30 10 JEEE COC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)(C)C)C2)n1N=Cc1cccc(OC)c1O 2327880728 ILORXKTXHVHNOX-CQSZACIVSA-N 461.544 2.254 30 10 JEEE CC(=O)NCc1nnc(SCC(=O)Nc2ccccc2)n1N=Cc1ccccc1C(=O)O 2330718929 UAKWDLYXMAIGHD-UHFFFAOYSA-N 452.496 2.225 30 10 JEEE O=C1CCC(C(=O)Oc2ccc(C=CC(=O)c3ccc4c(c3)OCCO4)cc2[N+](=O)[O-])=NN1 2331400725 NJSNTUJMPQPPSB-UHFFFAOYSA-N 451.391 2.434 30 10 JEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CCNC(=O)[C@@H]2C[C@@H]2B2OC(C)(C)C(C)(C)O2)C1 2334271622 SCYQIYKQVVPUEQ-XHSDSOJGSA-N 472.413 2.009 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C2(CCC2)C1 2362338519 RUDOEBOSFUSYFG-OAHLLOKOSA-N 460.384 2.381 30 10 JEEE C[C@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)C[C@@H]1CCNC(=O)OC(C)(C)C 2362466035 WLDCYIIVWPUCBW-HOTGVXAUSA-N 462.400 2.342 30 10 JEEE C=CCNC(=O)[C@H]1CCCN1C(=O)c1ccc(NS(=O)(=O)c2cc(OC)ccc2OC)cc1 21712960 RQAWXSVAXNJFSC-LJQANCHMSA-N 473.551 2.411 30 10 JEEE COc1cc(N2C(=O)C(Sc3nc(C)cc(C)c3C#N)=C(N(C)CCO)C2=O)cc(OC)c1OC 526696520 DWORBQLDLWWEGB-UHFFFAOYSA-N 498.561 2.397 30 10 JEEE CC(C)[C@@](C)(O)C[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 1078928957 YXPVYQIMXPYFSF-GEEOICBISA-N 494.669 2.100 30 10 JEEE C=CCC[C@@H](CO)NC(=O)c1cc(Br)cn(CCNC(=O)OC(C)(C)C)c1=O 1140626485 GUZAUCOXAIJMNU-AWEZNQCLSA-N 458.353 2.192 30 10 JEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2[C@@](C(F)(F)F)(CCCS2(=O)=O)C1 1158826074 NEFIJYJDWXQOCS-PMUMKWKESA-N 452.495 2.261 30 10 JEEE C#CC[C@H](CCOC)NC(=O)N1CCN(CC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 1253778740 BQUUTVSSARDYEZ-MRXNPFEDSA-N 456.465 2.279 30 10 JEEE C#CCCCCn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 1286321797 BENMGHNUFNXLRL-YPAWHYETSA-N 456.635 2.402 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H](OCC)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1286389904 SJJSERZEDSIRES-LEWJYISDSA-N 468.583 2.083 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(N(C)C)cc1C)[C@H]1CCS(=O)(=O)C1 1286393088 DIEGKMXNJQMNCF-QHCPKHFHSA-N 495.653 2.189 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CCOc1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 1286396657 WTZJKNZMTMTFEA-NRFANRHFSA-N 465.579 2.278 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cscc1C(F)(F)F 1286466905 LGFBUROSRMNJSN-ZDUSSCGKSA-N 462.519 2.395 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2CCc2c(OC)cc(OC)cc2OC)CC1 1286476624 AYHXRIPJAWCITJ-UHFFFAOYSA-N 450.543 2.297 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2snnc2C)CC1 1286489028 CFSNTJNKCHNGSL-UHFFFAOYSA-N 456.963 2.168 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1286792670 FBQHRBXLDZXHGT-MJGOQNOKSA-N 454.600 2.143 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cn(C)c4ccccc34)n2CCCNS(C)(=O)=O)C1 1286805861 XHTWNZXUBVLRKV-QGZVFWFLSA-N 458.588 2.157 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](C(F)(F)F)C1 1286813700 ABWDZPKTPRBGNM-AWEZNQCLSA-N 472.493 2.305 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CC[C@H](N(C)Cc2ccccc2)C1 1286819936 ABBPMMXYCJGTQT-YADHBBJMSA-N 473.643 2.484 30 10 JEEE C[C@@H](CC(=O)NCC(C)(C)N1CCc2ccccc2C1)/N=C1/NS(=O)(=O)c2ccccc21 1292150170 GHBGYQBMOVVXKD-KRWDZBQOSA-N 454.596 2.457 30 10 JEEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N2C[C@@H](O)C[C@H]2CO)ccc1Cl 1296553361 RIGVAJYHIYAKHG-ROUUACIJSA-N 450.944 2.289 30 10 JEEE CN(C)C(=O)[C@@H]1CCCN1CCCn1c(-c2cnn(C)c2)nnc1N(C)Cc1ccc(C#N)cc1 1297954282 GNQCVNKGJJEKHL-QFIPXVFZSA-N 475.601 2.129 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(Cl)c1C 1300309967 WARYLNSYCBTALJ-KDOFPFPSSA-N 451.980 2.079 30 10 JEEE C#CCCCn1c(-c2ccc(F)cc2Br)nnc1N1CCN(CC(=O)N(C)C)CC1 1300394815 XHFABYQAADZGTQ-UHFFFAOYSA-N 477.382 2.470 30 10 JEEE N#Cc1ccc(-c2cc(N3CCN(C(=O)Cn4cccc(C(F)(F)F)c4=O)CC3)n[nH]2)cc1 1300414251 HKBYPINIXLDPAR-UHFFFAOYSA-N 456.428 2.478 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCO[C@@H]1CCCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1300496627 SNBIJQBGCNFDCE-ZGXWSNOMSA-N 450.605 2.004 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@H](c1ccsc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1300499433 RRZKEDRZZOQLCK-NHCUHLMSSA-N 484.651 2.255 30 10 JEEE C#CCN(c1nnc(COCC)n1Cc1c(Cl)cccc1OC)[C@H]1CCS(=O)(=O)C1 1300503219 BJDXXQMKSAKABG-HNNXBMFYSA-N 452.964 2.152 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCN1CCOCC1 1300596809 XANLPYSQVBYSNU-OYRHEFFESA-N 470.618 2.234 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1300649956 QHNORKQBFFQJCY-LJQANCHMSA-N 474.606 2.247 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@H](C)N2CCOCC2)CC1 1300690747 IFWXISFEVJWKBG-KRWDZBQOSA-N 491.409 2.323 30 10 JEEE C=C(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1300946279 VYOGVRWQDTZGGR-MRXNPFEDSA-N 466.633 2.218 30 10 JEEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2c(Cl)cccc2C1 1300991132 POCKRUWFGXCUCU-HXUWFJFHSA-N 496.033 2.420 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@](C)(O)C2CCCCC2)CC1 1301085926 CIHUHWMHBBZRHS-UGKGYDQZSA-N 467.636 2.099 30 10 JEEE C=CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(NC(N)=O)cc1 1301422643 RLLNFIFPROUZEZ-UHFFFAOYSA-N 453.503 2.184 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCCN(C(=O)C2CC2)CC1 1301586107 DKEFRXYELKBHQQ-UHFFFAOYSA-N 475.590 2.058 30 10 JEEE C=CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN2C(=O)OC[C@H]2C1 1301595363 SMZPUSPZKXZDSM-QGZVFWFLSA-N 476.990 2.422 30 10 JEEE CC(C)NC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1303446338 DUANOYVWWXARDZ-UHFFFAOYSA-N 478.645 2.336 30 10 JEEE COCC1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCCN(S(C)(=O)=O)CC2)CCC1 1315843455 AFTSWRUYPLFYHY-UHFFFAOYSA-N 458.588 2.105 30 10 JEEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1CC1(O)CCS(=O)(=O)CC1 1358896468 DYFOXFREDSNVRD-HNNXBMFYSA-N 497.415 2.017 30 10 JEEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1Cc1ccc(N2CCOCC2)nc1 1358941505 MVJHHVOURKOZSH-UHFFFAOYSA-N 478.553 2.320 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H](CC)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1358961033 QOEAWISTLDWUKE-NQIIRXRSSA-N 452.584 2.499 30 10 JEEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(N2CCOCC2)CCCCC1 1358970668 UXQQUFIOZKNJRL-AREMUKBSSA-N 469.630 2.427 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1C[C@@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1358978287 IJGJQDPYMNYJIW-MXEMCNAFSA-N 469.586 2.269 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CC[C@H]2CCO[C@H](C)C2)CC1 1359038179 MTUDSPGIQPVSJN-MOPGFXCFSA-N 456.616 2.230 30 10 JEEE C=C(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1359117014 WOUVWFAHWNXMFW-IBGZPJMESA-N 465.558 2.490 30 10 JEEE C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 1359117388 XPFGXXCXZBPDSI-VQTJNVASSA-N 480.617 2.318 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1359187733 VNOXUQBOUSRWRF-SFHVURJKSA-N 467.574 2.373 30 10 JEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(c2ccccc2C#N)CC1 1359215634 GIKPWZZZKUZWNQ-QFIPXVFZSA-N 499.641 2.166 30 10 JEEE C=CCCOCCn1c(-c2cc(Br)cn2C)nnc1N1CCN(C)C(=O)[C@H]1C 1359222731 QJVDFUFJTAZWJN-CQSZACIVSA-N 451.369 2.306 30 10 JEEE CC(C)NC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1360287135 BLULEMCWQFXDCW-UHFFFAOYSA-N 478.645 2.336 30 10 JEEE C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCO[C@H](C#N)C2)n1CCCS(C)(=O)=O 1360759967 FKCSQLPWJQICRM-RHSMWYFYSA-N 453.952 2.235 30 10 JEEE CCN(CCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC[C@@H]21)S(C)(=O)=O 1502183874 GECPCJQFYLXTDZ-ICSRJNTNSA-N 458.588 2.389 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC(=O)NCC(F)(F)F 1507535399 YELPSNVFIBEYSQ-CQSZACIVSA-N 475.475 2.372 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccc(-c2ccsc2)nc1)[C@H]1CCS(=O)(=O)C1 1507623465 XQCLXWAFJJOOLS-IBGZPJMESA-N 498.634 2.215 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ccccc1C(C)C 1507671827 QDYMUAPMAVKBGG-QHCPKHFHSA-N 499.637 2.276 30 10 JEEE C#CCN(CCOC)c1nnc(COc2ccc(Cl)cc2Cl)n1Cc1cnnn1C 1507714785 WDFGXCPFLPNXFQ-UHFFFAOYSA-N 450.330 2.427 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CC(C)(C)N2CCC(OC)CC2)C1 1508128569 BRKRZWNOWLNPAQ-FQEVSTJZSA-N 460.623 2.071 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Br)c2)nnc1N1CCN(C(C)=O)C[C@H]1C 1508134089 BCKNUAUZHZTAEW-OAHLLOKOSA-N 496.431 2.365 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1508144325 CUPUKMVRBZUADC-UHFFFAOYSA-N 451.553 2.024 30 10 JEEE CCN1CCN(C[C@@H](C)Cn2c(N3CCN(c4ccc(C#N)cn4)CC3)nnc2C(C)(C)C)CC1 1515935672 GZDXRIRXYWEGPW-OAQYLSRUSA-N 479.677 2.442 30 10 JEEE C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3ncc4c(c3C#N)COCC4)cc2)C[C@@H](C)O1 1529114884 BBEZAKYNJDCVOK-GASCZTMLSA-N 456.524 2.076 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCS(=O)(=O)N1CCSCC1 1538973823 PLRUTGCCFMDHGC-KRWDZBQOSA-N 485.639 2.172 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CCCn1cc(Br)cn1 1538975964 GBKKGKLUWQRRES-BEFAXECRSA-N 451.369 2.437 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cnn(C)c2)n1C[C@@H]1C[C@@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1539002609 VLGYUXPZOVXRTC-OGWHTMIXSA-N 455.563 2.161 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)c1nc(-c2ccccc2)no1 1539015429 QESBOGOJYUKSNL-BQFCYCMXSA-N 454.556 2.492 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCC(=O)NC1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1539210243 AHDBZKCEGRMMQF-LJQANCHMSA-N 473.599 2.312 30 10 JEEE C#CCN(CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC(=O)NCC(F)(F)F 1539350544 PHFUTVVTPLGLFY-UHFFFAOYSA-N 455.437 2.109 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@@H]2CCCN2CC)CC1 1539434879 XAAHIMLLSZFLCI-FQEVSTJZSA-N 468.602 2.210 30 10 JEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)OCc2ccccc2)CC1 1539490483 WGOOPIKDKVVARJ-UHFFFAOYSA-N 482.610 2.339 30 10 JEEE C#CCSCCn1c(Cc2cccnc2)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 1539519038 AHMIIKZDJJZAAI-QGZVFWFLSA-N 470.624 2.475 30 10 JEEE C#CCSCCn1c(CCc2ccccc2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1539525165 VMUBMFWHVIXBPQ-OAQYLSRUSA-N 473.668 2.434 30 10 JEEE C=C(Br)Cn1c(N(C)[C@H](C)CS(=O)(=O)CC)nnc1[C@@]1(OC(C)C)CCOC1 1539610228 WPIZVVSLNROJCC-CRAIPNDOSA-N 479.441 2.487 30 10 JEEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1539611964 FTSYKYAEUDZKSU-FHWLQOOXSA-N 484.439 2.459 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1539622179 DTOMICARZWIVCP-WMQCIHAUSA-N 470.599 2.268 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)[C@@H](C)CC(N)=O 1539633531 ZJIBHQQZAANKQJ-DSKINZAPSA-N 468.606 2.133 30 10 JEEE C=C(C)COCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC(S(C)(=O)=O)CC1 1539723176 ZUULFZWOSCWYGN-UHFFFAOYSA-N 496.033 2.468 30 10 JEEE C=C(C)Cn1c(N2CCN([C@H](C(N)=O)c3ccccc3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1539723747 ZPKZOUMCNFEYTQ-SQJMNOBHSA-N 468.602 2.243 30 10 JEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1540004650 DADUNFGUCGPILF-SFTDATJTSA-N 486.598 2.027 30 10 JEEE C=CCCOCCn1c([C@H]2CCCOC2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1540035972 ITRHSDLPAYBITI-NRFANRHFSA-N 457.623 2.437 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Br)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1540899053 BWEILXXEIFMKLH-DOTOQJQBSA-N 494.415 2.023 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1588028877 AHEDCPQCSDAXOU-FUHWJXTLSA-N 462.547 2.099 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Br)n1CCOCC)[C@@H]1CCS(=O)(=O)C1 1588045709 PDZFLRNAKVKSBS-OAHLLOKOSA-N 467.389 2.371 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1Cc1ccc(OC)c(O)c1)[C@@H]1CCS(=O)(=O)C1 1588064775 PBVXMXMFMARQCM-GOSISDBHSA-N 472.592 2.320 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc([C@H](C)O)cc2)CC1 1588750905 GYVAXFHAQIHHTP-CPJSRVTESA-N 453.587 2.176 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2cccc(C(=O)NC)c2)CC1 1588908657 UJSPRFFCLIAERA-UHFFFAOYSA-N 491.983 2.367 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2Cc2cc(F)ccc2OC)CC1 1588930258 RCFLNEGIQJOHKZ-SFHVURJKSA-N 455.534 2.334 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H](NC(=O)CCC)C1 1589570579 VPOQIAGKINOZAP-MSYCTHLASA-N 458.607 2.267 30 10 JEEE C=C(C)COCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@](C)(C(=O)NC)C1 1593747402 VRSPLRGIIPXZEJ-UUOWRZLLSA-N 492.621 2.142 30 10 JEEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1Cc2ccccc2O[C@H](C)C1 1595577399 RKUMPJKJHRGVNJ-MRXNPFEDSA-N 466.567 2.359 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCCN(c2ccc(OC)cc2)CC1 1595797827 JCWCZPCYRBMENT-FQEVSTJZSA-N 489.642 2.498 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)[C@@H]1CCSC1 1595805758 TZSMPKIMVICCBY-QAPCUYQASA-N 450.586 2.333 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2Cc3ccccc3O[C@H](C)C2)nnc1[C@@]1(OCC)CCOC1 1595831792 WLGCMIBLVCCOEG-WZONZLPQSA-N 476.599 2.319 30 10 JEEE COc1cccc(O[C@@H](C)Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@@H](C#N)C2)c1 1619374282 FSOIKTBRQUUDGK-LPHOPBHVSA-N 463.498 2.130 30 10 JEEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)N2CCC[C@H](C)C2)CC1=O 1619937313 GKGOQXMWMNFAFL-VQTJNVASSA-N 465.602 2.232 30 10 JEEE CCOC(=O)c1ccc(N2CC(NS(=O)(=O)c3ccc(C(F)(F)F)cc3C#N)C2)nc1 1622017013 FUUXMUJKLVIQPM-UHFFFAOYSA-N 454.430 2.316 30 10 JEEE N#Cc1ccc(F)c(CS(=O)(=O)NCC2CCN(S(=O)(=O)c3ccccc3)CC2)c1 1661108973 ALQKVVIILRSIQV-UHFFFAOYSA-N 451.545 2.218 30 10 JEEE C#CCCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1689934417 UYSIWXHEUNWTBP-UHFFFAOYSA-N 469.615 2.180 30 10 JEEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCc1cnn(C)c1 1690077450 OWNNYMFPCDCNBY-LJQANCHMSA-N 457.579 2.412 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@]2(O)CCC[C@H]2C)CC1 1690113311 GJIZJNXZOIYZES-IERDGZPVSA-N 461.408 2.352 30 10 JEEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 1690172663 LFLSBHLZSJUNJW-HXUWFJFHSA-N 468.627 2.299 30 10 JEEE C#CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](C)[C@@H](O)C1 1690175289 UIJOTGCQPJPICU-KURKYZTESA-N 465.620 2.160 30 10 JEEE C=C(C)COCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1690299390 PWCCJOWMZUNJIX-IBGZPJMESA-N 490.630 2.210 30 10 JEEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1690361192 KCEJMOQRZKJWJS-TWWGPRNNSA-N 495.068 2.381 30 10 JEEE C=C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2CCCCS2(=O)=O)CC1 1690367218 GNICDBJVAJLBCQ-IBGZPJMESA-N 464.613 2.472 30 10 JEEE C=CCN(Cc1cccs1)c1nnc(C(=O)Nc2ccccn2)n1C[C@]1(O)CCN(C)C1 1690574219 SKVNTOMRQKGUDL-QFIPXVFZSA-N 453.572 2.246 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C(C)=O)C[C@H]1C 1690718886 BIYZQSRUIDOKAL-CQSZACIVSA-N 469.970 2.395 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCNC(=O)OC(C)(C)C 1705485248 GRVICXSQOAVZQY-MRXNPFEDSA-N 451.535 2.294 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCCN1CCN(c2ccncc2)CC1 1705503657 AWMSPANUKUSRGP-GIWBLDEGSA-N 467.618 2.067 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2CCNC(=O)C(C)(C)C)c1 1705506935 MIBWMDSWEWCEGI-IBGZPJMESA-N 466.586 2.391 30 10 JEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCSc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1705558796 IKOVNPSVJJXJSS-IBGZPJMESA-N 487.651 2.242 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1CCC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1705561215 RGYZRJYIVKGARE-DLBZAZTESA-N 464.563 2.345 30 10 JEEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1705568835 VXOJVUHURBVFQP-BZSNNMDCSA-N 475.640 2.333 30 10 JEEE C#CCN(c1nnc(COCC)n1CCOc1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 1705572229 UTJDXEFRAQUPDC-MRXNPFEDSA-N 452.964 2.174 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(C(=O)N3CCCC3)n2Cc2ccc(Cl)nc2)n1 1705631236 XMTLYEBDVOIJHO-UHFFFAOYSA-N 482.976 2.094 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2CC2(C(N)=O)CCCC2)CC1 1705651525 ZXKHDQLWQODHBC-UHFFFAOYSA-N 478.597 2.177 30 10 JEEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(NC(=O)C2CC2)CC1 1705656299 XZRGZGCFOFKZDX-UHFFFAOYSA-N 487.651 2.210 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CCOC(C)C)CC1 1705693516 HLPIOPFIJULAOY-SFTDATJTSA-N 460.623 2.042 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1705709840 SJUSDGRZRJTHKR-BQUSRXHISA-N 474.650 2.175 30 10 JEEE C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1705721645 NWTCGDMLJVCNHU-AWEZNQCLSA-N 474.367 2.154 30 10 JEEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1705727377 ZWFYBRGZGKUACK-WOJBJXKFSA-N 499.685 2.472 30 10 JEEE C=CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(C)=O)CC1)c1ccccc1 1705795217 FEYJXPCJAGRICU-GHTZIAJQSA-N 474.631 2.307 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 1705936864 ZTXWPXAMEWFGHC-PZJWPPBQSA-N 493.674 2.248 30 10 JEEE CC(C)N1CCC[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)C1 1706570860 CAANYNWWWZULIN-FPOVZHCZSA-N 485.658 2.407 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cccc(C(=O)N(C)C)c1 1722292261 INJCGTHXFMVETM-QGZVFWFLSA-N 479.610 2.446 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2C[C@@]2(N(C)C)CCSC2)c1 1722307722 VOZQHHYFMYOKLW-QHCPKHFHSA-N 456.616 2.308 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(CC)CCOCC2)c1 1722308548 CFHMNOBIGUYWEU-FQEVSTJZSA-N 499.637 2.443 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1Cc1ccc(OC)nc1)[C@@H]1CCS(=O)(=O)C1 1722360442 UIVNXPFNTAFPAE-LJQANCHMSA-N 497.577 2.041 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1CCCN1CCCO[C@H](C)C1 1722426302 GFZQBRYJIPZICJ-NFBKMPQASA-N 469.586 2.378 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C)c2ccccc2C1 1722490886 FDPSQHMCZQEVPD-DSKINZAPSA-N 474.631 2.326 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1722724141 OMZILPMHCJMKIN-UHOSZYNNSA-N 491.589 2.405 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 1722728043 SRVFHPJCQRYVDA-LLVKDONJSA-N 489.442 2.151 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1722731893 SBRUFQQRFDDQSU-FDDCHVKYSA-N 494.589 2.371 30 10 JEEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(OC(C)(C)C)CC1 1722739574 WXRSVIYCCSURNO-SFHVURJKSA-N 487.692 2.314 30 10 JEEE CC(C)(Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1)NC(=O)OC(C)(C)C 1723027001 CWDKNXCVEBHFPL-GOSISDBHSA-N 480.573 2.334 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCC[C@H]2OC)c1 1740564470 OFDQURKBYZREMA-SFHLNBCPSA-N 485.610 2.052 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1ccc(OC)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1740621320 LOSYSZPSPAIIRP-GOSISDBHSA-N 455.515 2.163 30 10 JEEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cccc(C2OCCO2)c1 1740632609 UPKVFGDGGAKPRD-VWLOTQADSA-N 450.539 2.485 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccccc2Br)CC1 1740690458 VFVMVJGXUTWNMY-UHFFFAOYSA-N 480.370 2.491 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCc2ccc(C)c(OC)c2)CC1 1740693283 WJDODFDIDCXGHF-RUZDIDTESA-N 453.587 2.245 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccccc3C)n2CC2(NC(=O)OC(C)(C)C)COC2)CC1 1740693498 AHEYUAIKJFONSX-UHFFFAOYSA-N 466.586 2.302 30 10 JEEE C#CCSCCn1c(COCC)nnc1N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 1740723656 UJSJTXAGNGEFNY-OAQYLSRUSA-N 468.627 2.109 30 10 JEEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(C(=O)N(CC)CC)CC1 1740738040 COJSUFYUTYXVHM-MRXNPFEDSA-N 473.416 2.495 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)CCNS(C)(=O)=O 1740751787 OOUZDSKOJDZYOJ-ICSRJNTNSA-N 490.630 2.114 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C2CCOCC2)CC1 1740751991 QRKIKMNIPWBKSN-UGKGYDQZSA-N 474.650 2.479 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1740752086 SKQDUTVJJCPHEA-HBFSDRIKSA-N 488.614 2.310 30 10 JEEE C=C(C)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1740785476 HRSJTVMDBIMRIC-UHFFFAOYSA-N 474.993 2.067 30 10 JEEE C=CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCCN(S(C)(=O)=O)CC1 1740946749 DUSKHHSELISLMM-QGZVFWFLSA-N 468.624 2.050 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(Cc2cc(C)no2)CC1 1740952076 UBXMENPFPIGPGA-UHFFFAOYSA-N 492.584 2.068 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1740953285 ANIBCYOMYVSOTO-LJQANCHMSA-N 476.528 2.150 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1740955778 GDJFDFPSPSZDIO-CQSZACIVSA-N 482.404 2.023 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](c2ccccc2C)C1 1740985156 CPSUDWFSGGYOFE-FQEVSTJZSA-N 473.599 2.001 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CC[C@@](O)(c2ccc(F)cc2)C1 1740991506 XYPMDIOZEVDSDG-KNQAVFIVSA-N 464.563 2.358 30 10 JEEE C=CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(NS(C)(=O)=O)CC1 1740997241 PAAJWRGHBTWRTE-UHFFFAOYSA-N 466.589 2.291 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccnc(OCc2ccccc2)c1 1741925067 GGYIDKIXVIBSOS-HXOBKFHXSA-N 499.572 2.353 30 10 JEEE CC[C@H](C)[C@](C)(O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1743495000 DFDGSNIMCPFLOO-LSRZYVKLSA-N 469.565 2.364 30 10 JEEE CCN1C[C@H](C)N(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CC(=O)N(CCOC)C2)C[C@@H]1C 1746375579 HQOJNJNPXQYSHT-ZJOUEHCJSA-N 465.602 2.231 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CCc1ccccc1F)[C@H]1CCS(=O)(=O)C1 1748801547 CPESKKLNOWKURS-IBGZPJMESA-N 475.590 2.205 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1CCCN(C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1748812797 ZVUOYSBUXCLKQT-QFIPXVFZSA-N 464.595 2.493 30 10 JEEE C#CCN(c1nnc(COc2cc(C)ccc2C(C)C)n1Cc1nncn1C)[C@H]1CCS(=O)(=O)C1 1748820934 JLTBIQYHBFGTMK-IBGZPJMESA-N 497.625 2.092 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)CN1CCOCC1 1748859465 VBNUSILQISAXEH-SFTDATJTSA-N 470.618 2.391 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccccc2OC)n1Cc1cccc(N2CCOCC2)n1 1748860105 TYMYAZIEJYBKES-UHFFFAOYSA-N 472.549 2.218 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2CCNC(=O)c2ccccc2F)CC1 1749004826 NSDROGRHGQKOEU-KRWDZBQOSA-N 454.550 2.327 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc4cccnc34)n2CCS(=O)(=O)CC=C)CC1 1749010571 NHYRMEGIROXPKT-UHFFFAOYSA-N 492.605 2.060 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(F)(F)F)CC1 1749115019 KLAYGQVELVKRPY-DLBZAZTESA-N 456.513 2.180 30 10 JEEE C=C(C)COCCn1c(Cc2ccccc2C)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1749231511 TVJNKMWZZQPBPM-FQEVSTJZSA-N 464.574 2.302 30 10 JEEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](C(CC)CC)N2CCOCC2)CC1 1749304029 SOURFMHPMPZXPI-SFTDATJTSA-N 465.664 2.474 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)OCCOC)nnc1N1CCC2(CC1)OCc1ccccc12 1749653053 VEEOATSMIKKDQK-SFHVURJKSA-N 455.559 2.330 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1749657801 GDHRBTNTRZQLLP-INIZCTEOSA-N 492.367 2.027 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](CC)c2ccccc2)nnc1N1CCCN(C(C)=O)CC1 1749723532 AGYLRKZVOIGMRV-NRFANRHFSA-N 459.616 2.479 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(OC)cc2)nnc1N1CCCO[C@H](C)C1 1749740879 ZUCDSQIGBWJFLC-QGZVFWFLSA-N 450.561 2.082 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCc1ccccn1)[C@H]1CCS(=O)(=O)C1 1760186757 QRIXQDNZLYCQAS-NRFANRHFSA-N 453.543 2.272 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CC2CCN(c3ccncc3)CC2)CC1 1760252207 NTBNEQVMOBUPPC-UHFFFAOYSA-N 478.645 2.263 30 10 JEEE C#CCN1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2C[C@@H](OC)[C@@H](C)CC)CC1 1760260595 YVCILUPUQOIRDB-AZUAARDMSA-N 473.647 2.055 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2Cc2ccc(OC)c(OC)c2OC)CC1 1760262001 FYYYGBICUOPVQR-UHFFFAOYSA-N 462.554 2.093 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2Cc2cnn(C)c2)CC1 1760266079 PHMQSCXNXXQKDA-QGZVFWFLSA-N 465.533 2.305 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CC2(COC)CCCCC2)CC1 1760268176 DWLRKEJSBNMHKK-UHFFFAOYSA-N 451.575 2.298 30 10 JEEE C=CCCCn1c(-c2ccccc2Cl)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1760435305 FBJPZTRREHCRCW-UHFFFAOYSA-N 470.965 2.031 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCCN(C(=O)c2ccccc2)CC1 1760554534 GNHSDMHGPSDMGQ-UHFFFAOYSA-N 459.616 2.430 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCC(c3cnn(C)c3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1760558074 FOIITMOGZVPAQF-HSZRJFAPSA-N 492.646 2.037 30 10 JEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccs2)CC1 1760566302 QOLCCWXOECXXDV-MRXNPFEDSA-N 453.659 2.488 30 10 JEEE CCc1ccccc1OCc1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H]1CC(=O)N(CCOC)C1 1762661296 CULRRTUDUAYFPP-KOSHJBKYSA-N 470.549 2.356 30 10 JEEE CC[C@@H](C)[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1763399905 BHDFGNHEMJWOHJ-CJAUYULYSA-N 465.602 2.014 30 10 JEEE CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1768249043 BJVAVSBESKKNQU-KRWDZBQOSA-N 479.006 2.068 30 10 JEEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1cc(C)ccc1O 1865722990 FKZJHUWVUCRCDT-GOSISDBHSA-N 470.570 2.269 30 10 JEEE C#CCOc1cn(CCc2ccc(S(N)(=O)=O)cc2)c(CNc2ccc3c(c2)OCO3)cc1=O 1871008968 XETSWOLYEPZFMH-UHFFFAOYSA-N 481.530 2.091 30 10 JEEE C=CCn1c(C(=O)N(CC)CCc2ccncc2)cc2c(N3CCC(C(N)=O)CC3)ncnc21 1873562600 KSYKTFKMUAIAKZ-UHFFFAOYSA-N 461.570 2.419 30 10 JEEE COc1ccccc1CCc1nnc(SCC(N)=O)n1/N=C/c1cc2c(cc1[N+](=O)[O-])OCCO2 1874313503 XWDVGDVXSKLNDA-WYMPLXKRSA-N 498.521 2.211 30 10 JEEE C/N=C1\S[C@H](CC(=O)N2CCOC[C@H]2Cc2cn([C@@H](C)c3ccc(F)cc3C)nn2)C(=O)N1C 2087926612 UFVJMXLURSCROK-VFEPBMQPSA-N 488.589 2.055 30 10 JEEE CC(C)(C)OC(=O)N[C@]1(C(=O)Nc2cc(Br)ccc2C#N)CCS(=O)(=O)C1 2181105491 LOSJLHWACXNSTJ-QGZVFWFLSA-N 458.334 2.341 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1COC[C@@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2255703284 QQBKGPWBIYKMCY-KBPBESRZSA-N 452.382 2.317 30 10 JEEE CC(C)(C)OC(=O)N1CC([S@@](C)(=O)=NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)C1 2255705059 PORAAQBFCVPZGQ-WJOKGBTCSA-N 454.354 2.436 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N=[S@](C)(=O)CCNC(=O)OC(C)(C)C 2255862806 TUOWHDAIIUOGJL-WJOKGBTCSA-N 455.386 2.087 30 10 JEEE C[C@H](NC(=O)[C@H](O)[C@H](C)NC(=O)OC(C)(C)C)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2256613884 KGBLSWKPAUNXJW-HEHGZKQESA-N 454.398 2.499 30 10 JEEE CC(C)(C)OC(=O)NCC[C@H](O)C(=O)Nc1ccc(F)c(F)c1B1OC(C)(C)C(C)(C)O1 2268712535 XGENZVAIIKIQRH-AWEZNQCLSA-N 456.295 2.478 30 10 JEEE C#CCN(C(=O)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1 2268746702 REWNCWZXSTUNEC-FQEVSTJZSA-N 476.595 2.089 30 10 JEEE Cn1nc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2F)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2282044269 SJFPRSNJYWWIAT-QWHCGFSZSA-N 486.781 2.450 30 10 JEEE C[C@@H]1CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)nn2C)[C@H](C)CN1Cc1ccccc1 2282343571 QJLGJISJGDFMSB-QZTJIDSGSA-N 474.436 2.003 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CNS(=O)(=O)c3cccc(B4OC(C)(C)C(C)(C)O4)c3)[C@@H]2C1 2282344146 UIGVLFVOFHJVKY-LDLYASANSA-N 478.420 2.377 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCC[C@H](NC(=O)C(F)(F)F)[C@@H]2C)n1 2282550785 DHAVVAYCSSYNPP-ZFWWWQNUSA-N 455.286 2.361 30 10 JEEE Cn1nc(C(=O)NC[C@]2(F)C[C@H](NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2282554323 BSPPXJJMKOWGDI-XLXQAPSUSA-N 486.781 2.498 30 10 JEEE CCc1nn(C)c(C(=O)N[C@H](CNC(=O)OC(C)(C)C)C2CC2)c1B1OC(C)(C)C(C)(C)O1 2282557834 ANNNJQQXWBHQMC-MRXNPFEDSA-N 462.400 2.315 30 10 JEEE Cn1ncc(C(=O)N2CC3(CCN(C(=O)OC(C)(C)C)CC3)C2)c1B1OC(C)(C)C(C)(C)O1 2282570659 JRSLPLHZJHNINO-UHFFFAOYSA-N 460.384 2.192 30 10 JEEE Cn1cc(C(=O)N2CCC[C@@H]3[C@H]2CCN3C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2282577191 BDFHMESZWMNVDA-IAGOWNOFSA-N 460.384 2.333 30 10 JEEE Cn1cc(C(=O)NC[C@@]23CC[C@H]2CN(C(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)n1 2282585233 JIQDPALEFCXICX-NPMXOYFQSA-N 460.384 2.096 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)CO1 2282710024 INBAIHZAFUUUMO-NVXWUHKLSA-N 461.368 2.040 30 10 JEEE C[C@H]1CN(S(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CC[C@@H]1NC(=O)OC(C)(C)C 2282829595 HAOPZGZPKWFUSW-YJBOKZPZSA-N 481.424 2.305 30 10 JEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1C[C@@H](C)C[C@H](NC(=O)C(F)(F)F)C1 2282831986 HQOWNMOAHLANBD-AAEUAGOBSA-N 496.382 2.433 30 10 JEEE C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C1 2283980987 HESTWBHJOYWHOY-DNVCBOLYSA-N 460.380 2.145 30 10 JEEE C[C@H](NC(=O)[C@@H](CCC(N)=O)NC(=O)OC(C)(C)C)c1cscc1B1OC(C)(C)C(C)(C)O1 2284134390 CMVQVCNDXBGOBY-XJKSGUPXSA-N 481.424 2.383 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2OCC[C@]2(C(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)C1 2296392568 PMZRFMCFOKRJRQ-MWTRTKDXSA-N 459.352 2.345 30 10 JEEE COC(=O)c1ccc([C@@H]2C(=C(O)c3c(C)[nH]c(C(=O)OC)c3C)C(=O)C(=O)N2CCN(C)C)cc1 2296927095 QZFZLOLVDNWJHK-HXUWFJFHSA-N 483.521 2.188 30 10 JEEE CCCCCCCCCCCCCC=C[C@@H](O)[C@H](CO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)N(C)C 2333278377 SJWBHOQBARABKH-SQZLIHLOSA-N 489.694 2.351 30 10 JEEE CO[C@@H]1C[C@@H](CNC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)N(C(=O)OC(C)(C)C)C1 2337394179 JAAWHHIOVJFQMD-UONOGXRCSA-N 467.397 2.197 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@@H]2CNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2359281777 BIHMOJBTQMAXEO-LZWOXQAQSA-N 499.464 2.117 30 10 JEEE COc1nc(N2CCC[C@@](O)(CNC(=O)OC(C)(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2365344006 IDOZWZBEVPFAMJ-HSZRJFAPSA-N 463.384 2.245 30 10 JEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2cc(Br)ccc2O)CC1 36329705 RLUCMTIHRNOCDS-UHFFFAOYSA-N 450.314 2.173 30 10 JEEE C=CCn1cc(/C=N/Nc2nnc(SCC(=O)Nc3sc4c(c3C#N)CCCC4)n2N)cn1 59830151 RMCSEVOCXDXUSP-NUGSKGIGSA-N 482.599 2.363 30 10 JEEE COc1cccc([C@@H]2/C(=C(/O)c3c(C)nn(C)c3C)C(=O)C(=O)N2CCCN(C)C)c1OC 102757393 YWIVPZWQIBYXGL-GOBJLOIFSA-N 456.543 2.428 30 10 JEEE CCn1cc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2Cc2cccc(CS(C)(=O)=O)c2)cn1 726108377 HFSCFFCUHLHCKK-IBGZPJMESA-N 489.623 2.248 30 10 JEEE Cn1nnc2cc(C(=O)[C@H](C#N)C(=O)Nc3cccc(S(=O)(=O)N4CCCCC4)c3)ccc21 729187342 ALBCOXINQHEYLF-SFHVURJKSA-N 466.523 2.104 30 10 JEEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H](C(=O)OCC)c2ccc(OC)c(F)c2)c1 1189349892 HHFZNLVLJWFNDB-LJQANCHMSA-N 450.488 2.333 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CC1([S@](C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1286388802 VOJASMDPWIJLRG-ADKRDUOOSA-N 467.016 2.136 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1CCCCCN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1286389523 LOKQFPHBRSDKFX-HXUWFJFHSA-N 471.631 2.018 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H]1CCCCC1(F)F)[C@@H]1CCS(=O)(=O)C1 1286390228 YTWUVUAYWZCLLG-HZPDHXFCSA-N 450.515 2.187 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCCSc2nccs2)CC1 1286472393 HLOZSCIGTSFYQU-OAQYLSRUSA-N 462.645 2.324 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2Cc2nccs2)CC1 1286489336 OQDWZTZLTIRJFD-UHFFFAOYSA-N 466.567 2.433 30 10 JEEE C=C(C)COCCn1c(CSc2ccccc2OC)nnc1N1CCS(=O)(=O)CC1 1286614341 PGWNYRMYKJCIJB-UHFFFAOYSA-N 452.602 2.407 30 10 JEEE C=C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCN(C)S(=O)(=O)CC)CC1 1286639675 CMVUTUBDUPXDEM-UHFFFAOYSA-N 481.644 2.177 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2N(C)CCCC2(C)C)CC1 1286662803 ACNHDDUBITZGNO-PMACEKPBSA-N 480.679 2.134 30 10 JEEE C=CCCOCCn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1286710597 AURGDDCYNPJLBN-QFIPXVFZSA-N 474.650 2.289 30 10 JEEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N(C)Cc1ncnn1CC(F)F 1286786082 XDYAQDVGWIWOOQ-UHFFFAOYSA-N 469.500 2.232 30 10 JEEE CC(C)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(N(C)C)CCOCC2)CC1=O 1287751276 FGMBKLDEZXEIJY-UHFFFAOYSA-N 465.602 2.232 30 10 JEEE Cc1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CCN2C[C@H](C)O[C@H](C)C2)n(C)n1 1290569642 CAKCIFBOOIYKOI-BGYRXZFFSA-N 478.601 2.364 30 10 JEEE Cc1nn(C)c(N2CCN(c3nnc(Cc4ccc(Cl)cc4)n3CCC(=O)N(C)C)CC2)c1C#N 1290576594 GNGVNLHBXSOCTK-UHFFFAOYSA-N 496.019 2.241 30 10 JEEE CN(CCn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1)C1CCCC1 1298716438 BWRDXDRCQZXFNM-FQEVSTJZSA-N 472.615 2.226 30 10 JEEE CNC(=O)[C@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[S@](=O)C(C)(C)C)C1 1299031955 CNAYMKCKGCFJQM-NHRFMIRVSA-N 472.615 2.238 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H](c1cccc(F)c1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1300486963 CLQLVOHHCABDBY-IRLDBZIGSA-N 484.601 2.352 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1Cc1cnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1300489913 VQFLAAQZSRWKGZ-QGZVFWFLSA-N 487.607 2.402 30 10 JEEE C#CCN(c1nnc(C2CC2)n1C[C@@](O)(c1ccccc1)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1300491128 DTEFIXOHSLZEPU-YLJYHZDGSA-N 468.501 2.232 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1300504919 WAMUXJYEDXXASI-GBESFXJTSA-N 495.646 2.259 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)cc2OC)n1CCN1CCN(C(C)=O)CC1 1300797606 FVQOTARERBTGLG-RUZDIDTESA-N 466.586 2.119 30 10 JEEE C=CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(C(=O)NCC)CC1 1301218380 NTNGLMQIWCUGTM-UHFFFAOYSA-N 460.608 2.056 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccc3C)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1301556702 LLNJPNHIZHVREP-RTWAWAEBSA-N 459.616 2.383 30 10 JEEE N#Cc1ccccc1N1CCN(c2nnc(-c3cccnc3)n2CC(=O)NCC(F)(F)F)CC1 1302999922 HKLKBUNEPGPYOB-UHFFFAOYSA-N 470.459 2.217 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCN(C(=O)OC(C)(C)C)C1CC1 1303847366 DLSDMIGXHLBEIF-ZHRRBRCNSA-N 495.650 2.418 30 10 JEEE CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cc(Br)cn2)CC1=O 1314926028 CUYAMJRUANGEAD-UHFFFAOYSA-N 469.347 2.144 30 10 JEEE COC(=O)CNC(=O)Cc1ccc(NC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)cc1 1357152799 AGHLBCRPMKNNCJ-UHFFFAOYSA-N 452.486 2.384 30 10 JEEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Cl)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1358897863 HPFWGGUIMOJZQP-HOTGVXAUSA-N 451.980 2.250 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@@H](C(C)C)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1358959559 LKFNDFGCQAZVPJ-GGAORHGYSA-N 485.654 2.237 30 10 JEEE C#CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCC1CC1)[C@H]1CCS(=O)(=O)C1 1358967209 GAGWDOHYDXFQPD-OTWHNJEPSA-N 477.631 2.476 30 10 JEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCN(C)[C@@H](C)CC 1358971527 YWMJLUJVNKAODZ-SFHVURJKSA-N 455.632 2.350 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCOC[C@@H]1C 1358987911 XBYUCOISBSETOQ-FPOVZHCZSA-N 469.611 2.331 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)N1CCOCC1 1359026588 DJAPAVPHKDVNFP-UXHICEINSA-N 476.622 2.157 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCSCCCO)CC1 1359034796 CSPZZVFZLRUURV-FQEVSTJZSA-N 492.690 2.263 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2Cc2ccc(CS(C)(=O)=O)cc2)CC1 1359037319 FGBMDVSBINJMHX-UHFFFAOYSA-N 469.636 2.279 30 10 JEEE C#CCN1CCN(c2nnc(CSc3ccccc3OC)n2C[C@@H](C)N2CCOCC2)CC1 1359039507 LSJXYTBGBBPPSQ-HXUWFJFHSA-N 470.643 2.055 30 10 JEEE C#CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1359060615 BKTCINBMBPLQEW-PMACEKPBSA-N 455.584 2.480 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1359118634 SMJDXZDNCMGVSS-PMACEKPBSA-N 461.588 2.156 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1359292858 ZIUYNMBDGRJHAJ-QKLQHJQFSA-N 484.557 2.054 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C2CCC1(C)CC2 1359294181 NIOLPNXXMQUDBA-UHFFFAOYSA-N 458.588 2.019 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCC[C@@H]1c1cnn(C)c1 1359304939 OHDKYJWJAGFFTB-HXUWFJFHSA-N 451.531 2.243 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](CC)c2ccccc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1359328220 XGQCUAQVYJEISM-ZCNNSNEGSA-N 457.600 2.136 30 10 JEEE CC(C)(C)S(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1359586264 FUKCONOXOSZUCJ-NRFANRHFSA-N 486.642 2.331 30 10 JEEE C=CC[S@](=O)(=NC(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@H]1CCS(=O)(=O)C1)c1ccccc1 1456899076 WGAJFVFHWPBZBX-JPVRIMPDSA-N 452.598 2.336 30 10 JEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CSCc2ccc3c(c2)OCO3)CC1 1473020781 HMRKCDDDOKHQKL-UHFFFAOYSA-N 459.549 2.053 30 10 JEEE CCC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CCO1 1500240321 COQGZGZJCSRXCG-ICSRJNTNSA-N 458.588 2.104 30 10 JEEE CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@](C)(O)c2cc(C)oc2C)CC1 1502426543 DLUKYEZPVLCWKK-SANMLTNESA-N 491.596 2.192 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN(C(=O)OC(C)(C)C)C1CC1 1507539301 UKNARSHDRDVWRV-HOTGVXAUSA-N 451.593 2.038 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Cl)n1C[C@@H]1CCCN(C(C)=O)C1)[C@H]1CCS(=O)(=O)C1 1507628741 IDSFPNTWOJXGBM-MOPGFXCFSA-N 490.029 2.484 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1CCc1ccn(C)n1)[C@H]1CCS(=O)(=O)C1 1507640425 SETLEEAKMUSHMO-NRFANRHFSA-N 482.610 2.077 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC2(CCOC)CC2)CC1 1507716206 ODMHRYMINKXCRP-UHFFFAOYSA-N 471.005 2.433 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H](C)Oc2cccc(F)c2)CC1 1507718794 HWBOLOKPRYNCNN-YADARESESA-N 457.550 2.292 30 10 JEEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC2(CC1)COC(=O)N2 1507743635 AHGIHNYDYXFYHO-UHFFFAOYSA-N 457.556 2.408 30 10 JEEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1507844042 BDJCUKBFUFGKBP-SFHVURJKSA-N 457.535 2.395 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1507915649 YUZVXTGZRHXPLD-HXUWFJFHSA-N 471.650 2.402 30 10 JEEE C=CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1508051741 XNUWHTWJOLKALZ-SFHVURJKSA-N 454.575 2.281 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCO[C@H](c2ccccc2Br)C1 1508090922 KMILNBUNHJVIQT-YJBOKZPZSA-N 476.375 2.425 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H](C)[C@H]1CC 1508135513 MLEDRZHKUUHJBA-YLJYHZDGSA-N 495.671 2.421 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CCCN1CCN(c2ccccc2)CC1 1509950240 CROYKMYUKRVTJE-FPOVZHCZSA-N 450.591 2.180 30 10 JEEE C=C(C)C[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1)C(=O)OC 1535347377 RBLDFHGJVQWTOW-CPUCHLNUSA-N 458.964 2.376 30 10 JEEE CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N(C)c3ccc(C#N)nc3)CC2)cc1 1537998266 FLFFVCJHYAQXHQ-UHFFFAOYSA-N 456.524 2.194 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2c(C)noc2C)c1 1539043906 WCVGLPNYTJJVQV-LJQANCHMSA-N 496.593 2.084 30 10 JEEE C#CCN(c1nnc(CC)n1C[C@H](CC)N1CCc2ccccc2C1)[C@@H]1CCS(=O)(=O)C1 1539219365 JGVIMGXVWQUPFJ-FCHUYYIVSA-N 455.628 2.304 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CC2(C(=O)NCC)CCC2)CC1 1539441894 YOAFEEWKRXWJSY-UHFFFAOYSA-N 480.613 2.414 30 10 JEEE C=C(C)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1539684889 LILNGKYXILDALP-SFHVURJKSA-N 482.585 2.320 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)N2CCCCC2)CC1 1539889691 ADUDCNJIQJDKEV-HXUWFJFHSA-N 480.679 2.278 30 10 JEEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCN(CCN2[C@@H](C)CC[C@H]2C)CC1 1540873906 NQWDLGMIXWLPJF-OYRHEFFESA-N 457.667 2.308 30 10 JEEE C=CCSCCn1c(Cc2cn3ccccc3n2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1540919428 QISINWKDOLBRIH-UHFFFAOYSA-N 489.671 2.296 30 10 JEEE C[C@H](CC#N)N(C)c1nnc(Cc2cn3ccccc3n2)n1CCc1ccc(S(N)(=O)=O)cc1 1541804870 FHBNCHRBGAAQRH-QGZVFWFLSA-N 478.582 2.145 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCC1(O)CCC1)[C@H]1CCS(=O)(=O)C1 1588029771 LUTNOUQHNWFIAZ-HKUYNNGSSA-N 476.574 2.489 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1Cc1ccnc(OC2CCOCC2)c1)[C@@H]1CCS(=O)(=O)C1 1588030212 QVBPFBAUISYMBT-UYAOXDASSA-N 487.626 2.419 30 10 JEEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1CCN(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1588068903 BVHWMSUHQRJOFC-NRFANRHFSA-N 473.643 2.441 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(NC(=O)C2CCC2)c1 1588139538 OPWBROGHTCTDOL-HXUWFJFHSA-N 465.579 2.040 30 10 JEEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](c1cccs1)N1CCCC1 1588265503 BTHANNJUPWWMAP-IRXDYDNUSA-N 450.634 2.246 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1589545688 ONUQCRMKVALKFK-XNSSQMBPSA-N 458.534 2.349 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](CNC(C)=O)C1 1589570783 WHXNTNFALIRFFX-XJUOHMSHSA-N 455.607 2.473 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1594497414 GUEXEIVKMACCLJ-QGZVFWFLSA-N 451.637 2.477 30 10 JEEE C=CCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1594788080 GMEOTSRJDCZERR-MSOLQXFVSA-N 462.528 2.055 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C)C1)C(C)C 1595170854 KWXHZMRMVIRRNS-HSALFYBXSA-N 451.637 2.104 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CC[C@](O)(Cc2cccc(Cl)c2)C1 1595555667 GTSIXKOQKVAVAD-DEOSSOPVSA-N 466.973 2.403 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H](OC)C1 1595765898 JJMTXFZJAAPOOX-CQSZACIVSA-N 458.382 2.252 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1595812134 OBNTUKDWCPHJFB-NHCUHLMSSA-N 465.664 2.159 30 10 JEEE CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccccc1CN1CCCC1=O 1608399387 ASBLSYNHKANGBM-HSZRJFAPSA-N 453.522 2.029 30 10 JEEE COc1ccc(Cn2c(CNC(=O)c3cccs3)nnc2N(C)C[C@H](C)C#N)c(OC)n1 1619290277 HMKHDLCABGIEMJ-CQSZACIVSA-N 455.544 2.326 30 10 JEEE COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccnc(SC)c2)CC1 1619548098 FZPNLPMUHBVNMQ-UHFFFAOYSA-N 463.567 2.277 30 10 JEEE COCCN(CCC#N)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@]1(O)CCC[C@@H]1C 1619910247 BHIOBMIQPVUDSY-JTSKRJEESA-N 461.588 2.266 30 10 JEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCN([C@@H](C)c3ccccc3F)C2=O)cc1 1628258376 XAASYCCNPUIGQA-HRAATJIYSA-N 457.527 2.219 30 10 JEEE COc1ncc(Br)cc1CN1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1644910296 AGGBEXJGGWZVBD-UHFFFAOYSA-N 451.346 2.231 30 10 JEEE C=CCc1cc(CNS(=O)(=O)c2cc(S(C)(=O)=O)ccc2OC)cc(OC)c1OC 1661721400 FODBBDJKYPSIOI-UHFFFAOYSA-N 455.554 2.323 30 10 JEEE CCn1cc([C@@H]2C[S@@](=O)CCN2S(=O)(=O)c2ccc(C#N)c(Br)c2)cn1 1668951459 ARWVSQKOPJSIRQ-LMKMVOKYSA-N 457.375 2.031 30 10 JEEE C=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 1681943782 SVCWCUXWRSOCNH-QQXKLLMISA-N 464.563 2.192 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1689835369 LEKNOTYMTRRZDM-KRWDZBQOSA-N 498.609 2.061 30 10 JEEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1689908055 VDPRRTULSONFPL-ZJOUEHCJSA-N 464.574 2.182 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCO[C@@H]1CCOC1 1690029805 IPTIKULEUCGIKV-HSALFYBXSA-N 457.575 2.317 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@H]2CCC=CO2)CC1 1690124082 FANXFSDVZCPEJF-PMACEKPBSA-N 472.590 2.034 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCN2C[C@H](C)O[C@H](C)C2)CC1 1690135190 QYLADJLYKDDAFN-KAOXLYBCSA-N 472.678 2.451 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2(COC)CCC2)CC1 1690139671 WWCZEWDPGCJTJC-UHFFFAOYSA-N 499.637 2.131 30 10 JEEE C#CCSCCn1c(N2CCN(C(=O)c3ccc(F)cc3)CC2)nnc1[C@]1(OCC)CCOC1 1690185598 ATGKTWKXWPAIPS-DEOSSOPVSA-N 487.601 2.398 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCC(=O)N1CCOCC1 1690188901 PWPIEIWPPVGXHV-RUZDIDTESA-N 464.570 2.388 30 10 JEEE C=C(Br)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCCN(S(C)(=O)=O)CC1 1690228794 GDYYGVUUXPJKOW-KRWDZBQOSA-N 498.403 2.171 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1690237893 BUBHGOOCYDJHTO-UKAVVXHISA-N 460.579 2.295 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C2CCC2)nnc1N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 1690245411 IAFLOFGZIHNVFB-NJYVYQBISA-N 481.663 2.404 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CO)(Cc2ccccc2)CC1 1690288219 NBCSOPIADGTTRJ-OAQYLSRUSA-N 489.642 2.009 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccccc2OC)CC1 1690411877 WRBMINNEYMFOSE-HXUWFJFHSA-N 461.588 2.070 30 10 JEEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1690474299 ZFTWMCGTRVNCOS-IEBWSBKVSA-N 463.604 2.402 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2cccc(OCC(=O)N(C)C)c2)C1 1690700138 OCXNYNVSYJCFAX-IFMALSPDSA-N 469.586 2.469 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1690711849 JNKSYTRTHWWZAS-TZIWHRDSSA-N 475.615 2.228 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(c2c(F)cccc2OC)CC1 1690724900 YHWORQGKEPLLTC-SFHVURJKSA-N 493.605 2.247 30 10 JEEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1690749727 NRFKNKZFOYGSEZ-UHFFFAOYSA-N 473.647 2.134 30 10 JEEE COC[C@H](C)Cn1c(C(=O)N2CCCC2)nnc1N1CCCN(c2ccccc2C#N)CC1 1697733076 BHVOWIHAFXGFRZ-LJQANCHMSA-N 451.575 2.385 30 10 JEEE COCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1698028559 GRPBCEYQCIJSGR-IBGZPJMESA-N 453.591 2.088 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1CCC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1705561218 RGYZRJYIVKGARE-IRXDYDNUSA-N 464.563 2.345 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1CCCN(C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1705563156 RNOOHHDIPWDZCS-LJQANCHMSA-N 473.599 2.031 30 10 JEEE C#CCN(c1nnc(-c2ccccc2)n1CCCOC[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1705564502 OTXPMXYSFUQPSM-RTWAWAEBSA-N 458.584 2.158 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@]1(OC)CCOC1 1705579990 AQSUNOICNBOKNI-VWLOTQADSA-N 460.538 2.114 30 10 JEEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H]1CCCCS1(=O)=O 1705582265 XEMKVPMIDMXOAE-FQEVSTJZSA-N 489.642 2.433 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Cl)n2CCN2CCOC[C@H]2C)CC1 1705648994 GOFDJGVLNDHKKE-GOSISDBHSA-N 471.005 2.285 30 10 JEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(Cc2cccc(C)c2)CC1 1705819740 STYMYGCBICHYMQ-JOCHJYFZSA-N 488.658 2.208 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(C)n(C)c1=O 1705864280 WLZISXLTASSFLM-INIZCTEOSA-N 476.628 2.198 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN(c2cccnn2)CC1 1705897877 VYDKVEOZQAGWEU-FQEVSTJZSA-N 476.585 2.454 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(C[C@H]3CCOC3)CC2)cc1 1705910334 ZERIOYLGUQYTNT-OAQYLSRUSA-N 468.602 2.188 30 10 JEEE C=CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1705945041 BGKPFTGTZJNVPZ-IBGZPJMESA-N 491.687 2.385 30 10 JEEE CCNC(=O)C1(Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@H](c3cccc(C#N)c3)C2)CCC1 1710316647 DETMFJWQYZMBLE-FQEVSTJZSA-N 479.585 2.172 30 10 JEEE CCO[C@H]1C[C@H](N(C)c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)C1(C)C 1710597646 DYIDOBIMOJKDLN-SFTDATJTSA-N 482.585 2.227 30 10 JEEE C#CCCCCn1c(-c2cnccn2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 1722314043 HGBYJZYNKXCDRE-RTWAWAEBSA-N 464.618 2.356 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1Cc1ccccc1CC)[C@H]1CCS(=O)(=O)C1 1722358007 BXVYBKYCRCHEMT-FQEVSTJZSA-N 478.578 2.163 30 10 JEEE C#CCN(c1nnc(CCOc2ccccc2)n1CCc1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1722370199 AIFJIJJGXQMFEN-HXUWFJFHSA-N 483.594 2.374 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2ccsc2)n1Cc1ccccc1S(=O)(=O)N(C)C 1722382873 PRMYZXYHJYLNST-UHFFFAOYSA-N 453.593 2.302 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC2(C(=O)N(C)C)CCCC2)CC1 1722433967 HJJOSIAHOXLSRX-UHFFFAOYSA-N 455.994 2.397 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(Br)cc3)n2CC[C@@H]2COCCO2)CC1 1722441378 JGMLSCVGJDTYLJ-HXUWFJFHSA-N 490.402 2.180 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Oc1ccccc1 1722474184 MMDCJFJKDQEXNV-KKLQWCBXSA-N 473.599 2.071 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@]2(CCOC2)C1)C(C)C 1722663037 QLCOGBXSJGBJJS-BWKNWUBXSA-N 472.634 2.208 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1cnccn1 1722723626 BATWTMXMMDBGQW-UHFFFAOYSA-N 466.365 2.063 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1722725555 NGLOATLBOGWREF-KRWDZBQOSA-N 457.560 2.091 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1722732269 XEZQXZZFVVAMFC-RTBURBONSA-N 476.555 2.189 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1722751288 RYFARHZHAOBCKI-MBSDFSHPSA-N 460.600 2.493 30 10 JEEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCn2cncn2)C[C@H](C(F)(F)F)O1 1726723095 BIVLMHQHSQTAMO-WMLDXEAASA-N 462.436 2.176 30 10 JEEE CC[C@@H]1CCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1727700829 HLAGPAWMKPDZKY-SXLOBPIMSA-N 486.646 2.308 30 10 JEEE C#CCCCn1c(Cc2ccccc2OC)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1740592796 IOQWCQHONVILTI-UHFFFAOYSA-N 459.554 2.111 30 10 JEEE C#CCN(C)c1nnc(Cc2ccccc2OC)n1CCNS(=O)(=O)c1ccc(C)s1 1740611934 XDRJONUAAYMQSS-UHFFFAOYSA-N 459.597 2.295 30 10 JEEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CC(=C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1740616568 CRMRBDXQCZQGTD-XUZZJYLKSA-N 470.595 2.270 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCN(C)[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1740621816 ZJCCDROTRKZIJH-WMZOPIPTSA-N 465.023 2.351 30 10 JEEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1CC1CCN(CC(F)(F)F)CC1 1740631659 CTLBQYPSNGTMCG-OAQYLSRUSA-N 453.509 2.277 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCOC[C@H]1OC 1740645954 WCGBAIYQKIKMQM-HSALFYBXSA-N 457.575 2.474 30 10 JEEE C#CCN1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2C[C@@H](OC)C(C)C)CC1 1740695345 NXNKPCHSQXMWJG-OAQYLSRUSA-N 463.586 2.101 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC(C)(C)OCC)CC1 1740703082 FRCAQBQMLOSHAW-XMMPIXPASA-N 461.607 2.100 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CC2CCN(C(=O)OC)CC2)CC1 1740704267 KVGZSCVWEAPZJW-UHFFFAOYSA-N 479.585 2.093 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CC2CN(C(=O)OC(C)(C)C)C2)CC1 1740704494 PDTYBFCTMOJEPQ-UHFFFAOYSA-N 481.601 2.116 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@@]2(O)CCCC2(C)C)CC1 1740706799 DHCMUKCWNJCKHI-VWLOTQADSA-N 450.587 2.171 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2C[C@](C)(O)CCC)CC1 1740706945 JKGDMMQWHZXGKP-RUZDIDTESA-N 453.587 2.394 30 10 JEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 1740709741 QTDRDQYDWUKKLE-FUHWJXTLSA-N 493.630 2.493 30 10 JEEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1740716551 UANFABPGEQUZBE-KRWDZBQOSA-N 472.615 2.361 30 10 JEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1740719989 OGYQHVUOPSPSIW-UHFFFAOYSA-N 469.571 2.002 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)c(C)c1 1740731833 JBMMSGIOLNRMOH-DENIHFKCSA-N 461.563 2.099 30 10 JEEE C=CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1740943434 MWFLSNCWECSMHL-FQEVSTJZSA-N 466.586 2.492 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1740953615 MCKCZTQOJRRVAG-UHFFFAOYSA-N 456.547 2.171 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CCN(CCOC)[C@H](C)C1 1740954183 FEJKNGZKLCMDMH-CQSZACIVSA-N 483.436 2.228 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@H](CNC(C)=O)C2)cc1 1740967232 AHTKABDDOHIERG-NHCUHLMSSA-N 487.626 2.146 30 10 JEEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCO[C@@H](C)C2)C1 1746536711 HUGMRYDRCVTERI-XKGZKEIXSA-N 458.588 2.150 30 10 JEEE C#CCN(c1nnc(C)n1CCc1cc(Br)ccc1F)[C@H]1CCS(=O)(=O)C1 1748804498 IKOMHBDMHNRNSB-INIZCTEOSA-N 455.353 2.358 30 10 JEEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1CCCN1CCOC1=O)[C@H]1CCS(=O)(=O)C1 1748805069 NTHWDTBDILHMRI-LEWJYISDSA-N 485.610 2.289 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1Cc1cnccc1OC)[C@H]1CCS(=O)(=O)C1 1748808893 IKSWKGWUKGOYEU-IBGZPJMESA-N 497.577 2.041 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CC1(C(=O)N(C)C)CCCC1)[C@@H]1CCS(=O)(=O)C1 1748810674 ZIYSLNDVQCDYFA-HXUWFJFHSA-N 499.637 2.229 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(N2CCOCC2)c(F)c1 1748907138 NZAALYBNTPKUPA-URXFXBBRSA-N 481.572 2.489 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1748944470 YFFCQPLPOAELCA-LNVKXUELSA-N 472.484 2.040 30 10 JEEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1749049671 NVNONQWNANGBQA-ZVVDCOBXSA-N 450.605 2.143 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(COc2cccc(C)c2)n1CCNS(=O)(=O)Cc1ccon1 1749073065 FQDWGXBMQDCPDA-HSZRJFAPSA-N 484.582 2.265 30 10 JEEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](O)(c2ccccc2F)C1 1749103793 DDDDBXAQDMNEJZ-LIRRHRJNSA-N 485.379 2.326 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)Cc1ncc(Cl)n1C 1749650302 RNQWDEANXIYMEI-UHFFFAOYSA-N 470.965 2.473 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1749671778 ITBUIUIIFDARBH-QGZVFWFLSA-N 491.987 2.201 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@H](Cn3cccn3)C2)cc1 1749683191 LNLFPKBGFOJBLZ-NRFANRHFSA-N 465.558 2.131 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N(C)Cc1ccc(N2CCOCC2)cc1 1749729503 LVCLXKKSNRULOK-UHFFFAOYSA-N 482.610 2.414 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCC(=O)N2)n1CCN1CCCCC1 1749806083 GXNHQTGMUBQNCI-OAQYLSRUSA-N 451.575 2.240 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1Cc1nc(C(F)(F)F)cs1 1751207174 AKUCMQZJLKMLIU-SNVBAGLBSA-N 463.511 2.152 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2Cc2ncnn2C(C)(C)C)c1 1760126304 UMSZSNQLLSKBJH-UHFFFAOYSA-N 470.541 2.186 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(F)cc3Br)n2CC2(O)CC2)CC1 1760267648 VERACYKDXJTCFF-UHFFFAOYSA-N 476.350 2.337 30 10 JEEE C=C(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1760341174 FGXFIRWNXPQDKN-QGZVFWFLSA-N 451.980 2.451 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(OCCO)c(OC)c2)CC1 1760402741 SXAJZOIJAASQJA-IBGZPJMESA-N 476.599 2.011 30 10 JEEE C=CCC(C)(C)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1760415536 BVWICQAILXFAPD-IBGZPJMESA-N 466.586 2.223 30 10 JEEE C=CCCCCn1c(COCC)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1760429520 GBTUJIYQDBCHIQ-KURKYZTESA-N 483.635 2.297 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC(c2nc(C)no2)CC1 1760515465 ORAYSZHASVBROD-UHFFFAOYSA-N 489.378 2.424 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H](C)N2CCOCC2)C1 1760537879 SJBMCEZZPLGVNF-AZUAARDMSA-N 457.575 2.464 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(Cc3cccnc3)n2Cc2ccc(S(C)(=O)=O)cc2)C1 1760546032 HHROYANYSSFVMX-HXUWFJFHSA-N 453.568 2.497 30 10 JEEE CCN1CCN(C2CCN(c3nnc(-c4cccc(C#N)c4)n3CCNC(=O)C(C)C)CC2)C1=O 1767140513 GBVKFTGGNNQDOG-UHFFFAOYSA-N 478.601 2.315 30 10 JEEE CCOc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(OC)nc1 1767634083 HBSLIOYWEFRLDF-GOSISDBHSA-N 450.499 2.436 30 10 JEEE C=CCn1cc(OCC(=O)Nc2cccc(OC)c2)c(=O)cc1CN1CCN(C(=O)OCC)CC1 1870652070 QVJOQMVDCYAUNJ-UHFFFAOYSA-N 484.553 2.335 30 10 JEEE C=CCn1cc(OCC(=O)N(CC)CC)c(=O)cc1CNc1ccc2c(c1)C(=O)N(C)C2=O 1871082868 XDRYACYOOULJSR-UHFFFAOYSA-N 452.511 2.119 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)COc2nonc2C(=O)NCc2ccc(C)cc2)nc1C 1872706537 CXWXUCSRWNDUAS-UHFFFAOYSA-N 471.495 2.433 30 10 JEEE C=CCOc1ccccc1OCC(=O)N1CCN(C(=O)[C@H]2CC(=O)N(c3cccc(OC)c3)C2)CC1 1873793938 NLUYLYRGVTZPQG-FQEVSTJZSA-N 493.560 2.363 30 10 JEEE CCN1CCN(CC#CCOC2CCN(C(=O)c3nn(-c4ccccc4)cc3OC)CC2)CC1 1890455371 QTALGIAILJCBRY-UHFFFAOYSA-N 465.598 2.143 30 10 JEEE CC(C)(C)OC(=O)N1CCn2cnc(C(=O)N3CCN(Cc4ccccc4)[C@H](C#N)C3)c2C1 1964923398 KJGSPYQIRNBDCE-LJQANCHMSA-N 450.543 2.484 30 10 JEEE Cc1nc(I)c(NC(=O)CSCC#N)c(I)n1 2008827072 OIHWMCAMIHEAFD-UHFFFAOYSA-N 474.065 2.190 30 10 JEEE Cc1nc(I)c(I)n1-c1ccc(C(N)=NO)cc1 2028589815 DICSTLWEYMFDOM-UHFFFAOYSA-N 468.036 2.484 30 10 JEEE C=C(CS(=O)(=O)N=[S@@](C)(=O)C1CN(C(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2247905772 VKPVUPOCKHVWFH-LJAQVGFWSA-N 464.415 2.221 30 10 JEEE CC(C)(C)OC(=O)NC/C=C\CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2248287267 KBRFCZYSYBKDNI-HJWRWDBZSA-N 458.411 2.407 30 10 JEEE CCN(C(=O)OC(C)(C)C)[C@@H](C)CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)c(C)nn1C 2267134779 URQQQIIQOYWPHK-AWEZNQCLSA-N 450.389 2.403 30 10 JEEE CCO[C@@H]1C[C@H](NC(=O)OC(C)(C)C)[C@H]1NC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2267153429 BOQMUPKDOLYHOL-RRFJBIMHSA-N 467.397 2.243 30 10 JEEE C[C@H]1[C@@H](NS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2267468738 MHAQIGPDUCXNOY-KBPBESRZSA-N 487.453 2.260 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2267468776 MVBVGOAKXMLJTD-KGLIPLIRSA-N 487.453 2.308 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](CNC(=O)c2occc2B2OC(C)(C)C(C)(C)O2)CO1 2267496739 CWSHJLIHCHHRAS-LSDHHAIUSA-N 450.341 2.238 30 10 JEEE C[C@@H](CCN(C)C(=O)OC(C)(C)C)N(C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2267499142 ZUOPXXFEKPROBC-HNNXBMFYSA-N 450.389 2.437 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2[C@H](NC(=O)c3csc(B4OC(C)(C)C(C)(C)O4)c3)CO[C@H]2C1 2267554153 WSDFMVQWHCXUAF-XHSDSOJGSA-N 464.393 2.411 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N(Cc1ccccc1)C[C@H]1CCCO1 2267715752 BWNFQJUDHARCLC-GOSISDBHSA-N 461.393 2.089 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@@H]1CC(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2268652777 WRYJRVOEKUAVFQ-AWEZNQCLSA-N 467.397 2.085 30 10 JEEE CN(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1cc(B2OC(C)(C)C(C)(C)O2)cs1 2268722827 IRUAJXHTHKPWSX-QGZVFWFLSA-N 467.441 2.461 30 10 JEEE CC(C)(C)OC(=O)NCC(C)(C)OCCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2278397648 WHTQHMCXCXEFNV-UHFFFAOYSA-N 469.413 2.492 30 10 JEEE Cc1c(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2F)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281991128 WLSVYMWTDXRNSE-HUUCEWRRSA-N 466.363 2.105 30 10 JEEE C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)C1 2282044591 UUNXHDKSBHSTNA-CVEARBPZSA-N 462.400 2.485 30 10 JEEE CC(C)(C)OC(=O)N[C@@]12CC[C@H]1CN(S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1)C2 2282501446 XDQSTAQYOWGYBI-LHSJRXKWSA-N 499.464 2.261 30 10 JEEE Cc1nc(C(=O)N[C@@H]2[C@H](NC(=O)OC(C)(C)C)[C@H]3CCO[C@H]32)c(B2OC(C)(C)C(C)(C)O2)s1 2282519084 ITJKKRSTRFKIIY-IXYNUQLISA-N 479.408 2.161 30 10 JEEE CC(C)(C)OC(=O)N1CC(C2CN(C(=O)c3ncc(B4OC(C)(C)C(C)(C)O4)cc3F)C2)C1 2282534311 FCPMCGFLSWXRHJ-UHFFFAOYSA-N 461.343 2.459 30 10 JEEE Cn1nc(C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2282546291 UYZULLCEURHFTI-KRWDZBQOSA-N 469.782 2.223 30 10 JEEE Cn1nc(C(=O)N[C@H]2C[C@@H]3[C@@H](NC(=O)OC(C)(C)C)C[C@H]3C2)cc1B1OC(C)(C)C(C)(C)O1 2282616233 YPMRFRAWKBNPTP-WCVJEAGWSA-N 460.384 2.141 30 10 JEEE CC1(C)OB(c2cnc(C(=O)N3CCN(Cc4ccccc4)CC(F)(F)C3)nc2)OC1(C)C 2282621016 MRJZGOUKOVBMPK-UHFFFAOYSA-N 458.318 2.369 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC1(CCO)CN(C(=O)OC(C)(C)C)C1 2282667016 MMCOGIXICRPIDL-UHFFFAOYSA-N 460.380 2.396 30 10 JEEE C[C@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)[C@H](C)[C@H](C)N1Cc1ccccc1 2282699463 KGLFDWZABFKTLL-OKZBNKHCSA-N 453.396 2.238 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](NS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)[C@@H]2C[C@H]21 2282842563 ACDNHRDJXGXUDJ-OFQRWUPVSA-N 499.464 2.260 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CN(S(=O)(=O)Cc3ccc(B4OC(C)(C)C(C)(C)O4)cc3)C[C@@H]21 2282845166 OCWKESZJDKSMGA-REPLKXPHSA-N 478.420 2.271 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2283071658 HNCFDUSJQXHZOP-WNSKOXEYSA-N 458.368 2.295 30 10 JEEE CC(C)(C)OC(=O)N1CCCN(CC(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)CC1 2283954994 IYXAKJPMFHFBJU-UHFFFAOYSA-N 480.440 2.001 30 10 JEEE Cn1cc([C@@H](NC(=O)OC(C)(C)C)C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)cn1 2283986985 HYUXJVMBQUISHU-MRXNPFEDSA-N 477.396 2.058 30 10 JEEE C[C@@H](C(=O)N[C@H](C)c1nscc1B1OC(C)(C)C(C)(C)O1)N1CC(NC(=O)OC(C)(C)C)C1 2284061739 YZCAWUNLAHIMKU-KGLIPLIRSA-N 480.440 2.217 30 10 JEEE C=CC[C@@](C)(NS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC)C(F)(F)F 2286034369 HLISLSRWKXTLRV-RHSMWYFYSA-N 452.451 2.271 30 10 JEEE CCOC(=O)C(=O)NCc1ccc(C=C2C(=O)C(C(=O)OC)=C(C)N2c2ccc(F)cc2)o1 2294085089 JEGCMXNMUONHFV-UHFFFAOYSA-N 456.426 2.475 30 10 JEEE CCON(C(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1)C1CN(C(=O)OC(C)(C)C)C1 2315690458 MZJHEKIFDRDNQV-UHFFFAOYSA-N 453.370 2.455 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)OCc2ccccc2)n1 2334270404 IQWPCCIVKAWVQL-YSIASYRMSA-N 480.374 2.342 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC2CC1(CNC(=O)OC(C)(C)C)C2 2366056719 LZAATLYBCQCZOA-UHFFFAOYSA-N 460.384 2.239 30 10 JEEE COc1ccc(Cl)cc1NC(=O)CSc1nnc(N/N=C/c2cc([N+](=O)[O-])ccc2O)n1N 20527406 KKJDYGWIEFHQIS-ODCIPOBUSA-N 492.905 2.445 30 10 JEEE COc1ccc(C(=O)/N=C2\S[C@H]3CS(=O)(=O)C[C@H]3N2Cc2ccc3c(c2)OCO3)cc1 102738561 DCZYNIODNOFXNH-ARAAEYRJSA-N 460.533 2.335 30 10 JEEE C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H]1COc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 204869767 VCGONEKUAJLLDH-AEFFLSMTSA-N 490.410 2.449 30 10 JEEE CCOC(=O)c1c(N=C2S/C(=C/C(=O)OC)C(=O)N2c2ccccc2)ncn1CC(C)=O 254514860 VLSJHGGRZFKVGP-LMEBWQALSA-N 456.480 2.473 30 10 JEEE Nn1c(NN=Cc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)nnc1SCC(=O)Nc1ccc(F)cc1F 1084576199 QDEBMVVOXZLWAP-UHFFFAOYSA-N 493.412 2.263 30 10 JEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@@H](O)[C@H]2c2ccc(Br)cc2)c1 1150530877 SUKQSDLCYYPXQE-RTBURBONSA-N 463.353 2.309 30 10 JEEE C#CCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1286336879 PYNYCOUCJOHDFD-UHFFFAOYSA-N 456.572 2.050 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1CCOCCCC)[C@@H]1CCS(=O)(=O)C1 1286380766 DEVBJUVARWFKPA-QGZVFWFLSA-N 498.447 2.490 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1cc(F)cc(OC)c1)[C@H]1CCS(=O)(=O)C1 1286392705 JSLKYTYKXKKYSX-AZUAARDMSA-N 462.547 2.342 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1Cc1ncccc1N(C)C)[C@@H]1CCS(=O)(=O)C1 1286397008 QVSMQVLBSRYONQ-HXUWFJFHSA-N 494.621 2.302 30 10 JEEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1C[C@@H]1CC=CCO1)[C@H]1CCS(=O)(=O)C1 1286398207 WMJHAZPXPSEMJX-SFTDATJTSA-N 470.595 2.446 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC2CCS(=O)(=O)CC2)CC1 1286475085 WXILHEDMYPAZNP-UHFFFAOYSA-N 465.982 2.318 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@]2(CCC(=O)N2)C1 1286778413 AJGMCLYSNRXGEZ-HOYKHHGWSA-N 452.559 2.196 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H](C)N2CCOCC2)C1 1286798932 PRDCFHIVQVXMOY-NQIIRXRSSA-N 489.020 2.364 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCNC(=O)C(C)C)C1 1286808628 CRRIJWYEVFITQX-OALUTQOASA-N 492.621 2.140 30 10 JEEE C=CCSCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1286826010 UESSLUVXOCXHMM-MRXNPFEDSA-N 453.515 2.417 30 10 JEEE CC[C@H]1CCCCN1CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C(N)=O)C1 1293377162 FVDGQKMKJPTJAL-PMACEKPBSA-N 451.575 2.305 30 10 JEEE CCOC1CC(O)(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(S(=O)(=O)CC)CC2)C1 1296958511 HVBLVFGWXGHOER-UHFFFAOYSA-N 473.599 2.150 30 10 JEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1300338907 IWVYYCWSLJAWSR-QGZVFWFLSA-N 473.578 2.029 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(OC(C)C)c1 1300409009 DSNAQIBACYHIEN-OAQYLSRUSA-N 475.615 2.448 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@@H]1CCC[C@H](O)C1)[C@@H]1CCS(=O)(=O)C1 1300501644 MNCPEFPAUDFDIZ-VSKRKVRLSA-N 456.612 2.241 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@@]1(O)CCN(C)C1 1300569981 WCSWINKEHBYXRS-RUZDIDTESA-N 451.571 2.270 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2ccccc2)CCC1 1300631252 OLVCHHWTGHLOKL-FQEVSTJZSA-N 457.600 2.192 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1cc(Cl)c2c(c1)OCCO2 1300650257 RXHLHSJTJGMXBO-UHFFFAOYSA-N 459.934 2.073 30 10 JEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1Cc1cccnc1OCC(F)(F)F 1300663391 ACDLOEHNWRZWOT-UHFFFAOYSA-N 492.458 2.476 30 10 JEEE C=CCCOCCn1c(N2CCO[C@]3(CCO[C@@H]3C)C2)nnc1[C@]1(OC(C)C)CCOC1 1301261440 DTNAMKMDHBWCKY-PTUXOGIPSA-N 450.580 2.296 30 10 JEEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)Cc1cc(Cl)ccn1 1301496448 AVOCSYUZGDWDJP-UHFFFAOYSA-N 489.005 2.225 30 10 JEEE Cn1cc(-c2nnc(N3CCN(c4cccc(F)c4C#N)CC3)n2CCC(=O)NC(C)(C)C)cn1 1314903518 AFWDWWYYRUKHBR-UHFFFAOYSA-N 479.564 2.321 30 10 JEEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1CCCS(=O)(=O)Cc1ccccc1 1358947100 RLLBRWKEFPNSQL-UHFFFAOYSA-N 455.540 2.080 30 10 JEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(C(=O)N(CC)CC)cc2)CC1 1359038420 VYVQSKKKVRAUCW-UHFFFAOYSA-N 488.640 2.425 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2sc(C)nc2C)CC1 1359041368 UPAOPYYGJGBBOR-MRXNPFEDSA-N 460.604 2.090 30 10 JEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)c2ccc(C)cc2)CC1 1359060267 PIJGBZVMYKKDGV-UHFFFAOYSA-N 466.611 2.038 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1359101856 SSVUYVZNMGZRAL-XARGGIHNSA-N 458.651 2.448 30 10 JEEE C=C(C)COCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](C(=O)NC)C1 1359133164 MMUWKSHSDHJJER-RTBURBONSA-N 492.621 2.142 30 10 JEEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1(O)CCN(C(C)C)CC1 1359240917 ZWMKJWKISCCVOP-UHFFFAOYSA-N 454.623 2.310 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCOC2)n1CCN1CCCS1(=O)=O 1359255403 XCCJKWIREZRCJX-IBGZPJMESA-N 461.588 2.019 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1 1359302620 NTAICLIMSSFCIN-SFHVURJKSA-N 450.547 2.457 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@H](C(F)(F)F)C1 1359328214 XDUFSWKYNSDDOU-ZDUSSCGKSA-N 498.325 2.404 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@@H](C)CCC 1359331053 LYHSJJUQTBWORL-INIZCTEOSA-N 458.588 2.418 30 10 JEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(CC(=O)N2CCN(C)CC2)CC1 1443624890 PRJVDVNDUMOGRG-GOSISDBHSA-N 457.015 2.425 30 10 JEEE CCCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCO[C@@H]2C)CC1 1501141969 CHJLCDYSLZFNMD-IQGLISFBSA-N 482.585 2.011 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccccc1CN1CCOCC1 1507516738 DJXXMVCNJVDAGU-NBGIEHNGSA-N 453.587 2.269 30 10 JEEE C#CCN(c1nnc(-c2ccc(OCC)c(OC)c2)n1Cc1nccs1)[C@H]1CCS(=O)(=O)C1 1507630054 YTOVUCGYGABWPX-KRWDZBQOSA-N 487.607 2.484 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CCc1ccn(C)n1)[C@H]1CCS(=O)(=O)C1 1507630078 ZDRCYADJSOSDTC-IBGZPJMESA-N 458.975 2.201 30 10 JEEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1CCCc1nc(C)no1)[C@H]1CCS(=O)(=O)C1 1507639940 NPDRCTPPKAPZKC-FQEVSTJZSA-N 498.609 2.425 30 10 JEEE C#CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC(OCC(N)=O)CC1 1507748313 JZQZVURIXDPUER-UHFFFAOYSA-N 463.991 2.444 30 10 JEEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C[C@H]2CCOC2)CC1 1507830758 WYUCNULXNCDEAI-WOJBJXKFSA-N 476.622 2.321 30 10 JEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCC(NC(=O)c2ccsc2)CC1 1507847121 GOCGTHLJCACXEI-UHFFFAOYSA-N 472.615 2.454 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1NC(=O)CC1(C)C 1508005687 ZJCVDMQVOKSGQS-OALUTQOASA-N 457.600 2.288 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(Cl)c1 1508021880 UQSJEWPVYJCGQN-GOSISDBHSA-N 451.980 2.491 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1508087058 ANFSOQDJHJOIIY-IYWMVGAKSA-N 488.633 2.414 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCCO[C@@H]2C(C)C)C1 1508113819 IDQXBIFSYOLAEU-WJFTUGDTSA-N 455.625 2.121 30 10 JEEE CCN1CCN(C[C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(CC(N)=O)CC2)CC1 1515930359 BRHBZSUHLGTWKW-FQEVSTJZSA-N 478.645 2.182 30 10 JEEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](CC)N2CCCC2)C1 1516022100 CRDAYYCKRPVFPF-SFTDATJTSA-N 471.631 2.209 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2cnn(C)c2)n1CCN1CCOCC1(C)C 1519130010 FNISEVWIBIRDNQ-UHFFFAOYSA-N 478.601 2.314 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2CC2(S(C)(=O)=O)CCC2)c1 1539046698 YMZZKDFWYOZOFZ-UHFFFAOYSA-N 492.605 2.287 30 10 JEEE C#CCCCn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1539127678 MEAMLXNJTZAEHM-VXKWHMMOSA-N 463.630 2.304 30 10 JEEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1539154908 MDPNOIIFIUUQTE-WBVHZDCISA-N 495.447 2.320 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@@H](C)c1nc(C)cs1)[C@@H]1CCS(=O)(=O)C1 1539203165 NZAXUDVYCVBXCY-CRAIPNDOSA-N 492.671 2.392 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1CCOC[C@H]1OC 1539289883 ABSRJZVDWXLKRQ-PZJWPPBQSA-N 469.973 2.376 30 10 JEEE C=CCn1c(N2CCCN(S(=O)(=O)c3ccccc3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1540861005 YAMGUPZLMJWUEI-HSZRJFAPSA-N 475.615 2.406 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1540904118 JCVAJAAONDHXJC-HXUWFJFHSA-N 475.590 2.200 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCCN(c3nccc(OCC)n3)CC2)nnc1C(C)(C)C 1540908128 CGUVSVMSMDADNW-UHFFFAOYSA-N 477.635 2.082 30 10 JEEE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3cccc(C#N)c3)n2CC2(N(C)C)CCOCC2)C1 1540937884 HACPXJPQWPELSH-NRFANRHFSA-N 465.602 2.232 30 10 JEEE CCCC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCOCC2)C1 1546808240 DTEGLUFSIKEFQS-QFIPXVFZSA-N 465.602 2.424 30 10 JEEE CNC(=O)[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CC12CCN(C(=O)c1cncn1C)CC2 1548378017 MKXYWFWWRKNDNH-SFHVURJKSA-N 474.487 2.415 30 10 JEEE CN(C)C(=O)CCn1c(Cc2ccncc2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1552714297 FMFZGDVIPLYDPY-UHFFFAOYSA-N 462.533 2.080 30 10 JEEE CNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)NC2CCCCC2)CC1 1554494401 DMBQMVGHNCQEFK-UHFFFAOYSA-N 464.574 2.117 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCCC(=O)N1CCN(c2ccc(C#N)cc2)CC1 1557722241 HXVUPVQVMKLETE-HXUWFJFHSA-N 455.559 2.113 30 10 JEEE C#CCN(C(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1)[C@H]1CCS(=O)(=O)C1 1563740746 YNUQDFGHOZAXQE-YJBOKZPZSA-N 454.390 2.107 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1588173782 KHYNQHWDJQJXNV-FQEVSTJZSA-N 484.564 2.057 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(-c4ccc(F)cc4)s3)n2CCNS(C)(=O)=O)CC1 1588768264 CWZFWNADPOXRJY-UHFFFAOYSA-N 488.614 2.117 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H](C)N2CCC[C@@H](C)C2)CC1 1588864738 JNZMYXLYFSWAPA-UXHICEINSA-N 469.659 2.145 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1589503016 BGFFIOAAHYMOAP-JTHBVZDNSA-N 463.586 2.008 30 10 JEEE C=CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1594720394 KXTJOQPOMSVTGK-UHFFFAOYSA-N 499.641 2.456 30 10 JEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(Oc2cc(C)ccn2)CC1 1594732782 IASAPUOLIJKMRZ-FQEVSTJZSA-N 490.630 2.328 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CCSC1 1595133623 JLFIIWXVQLTDNC-UWJYYQICSA-N 466.604 2.380 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c([C@@H]2CCOC2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1)C(C)C 1595171172 QTLKAFIXHVQRIZ-CZYKHXBRSA-N 456.635 2.443 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(OC)CCOC1 1595303440 SWMFSWWEXXTARN-JPYJTQIMSA-N 481.594 2.031 30 10 JEEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1595398555 GKIXUZPBUBATJA-GOSISDBHSA-N 487.649 2.368 30 10 JEEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCOC3(CCC3)C2)cc1 1595607624 JFTNLKQUQBANKE-KRWDZBQOSA-N 461.588 2.261 30 10 JEEE CC(C)(C)NC(=O)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@](C)(C#N)C1 1611765071 DRDWDSPCKKQVTG-HSZRJFAPSA-N 462.562 2.356 30 10 JEEE C#C[C@]1(O)CC[C@@H]2[C@H]3CCC4=C/C(=N/OCC(=O)N[C@@H](CC(N)=O)C(=O)O)CC[C@]4(C)[C@@H]3CC[C@]21C 1614466803 DADOOOYPFQVZKE-ICMFSIKHSA-N 499.608 2.131 30 10 JEEE C[C@@H]([C@@H](C)N(C)CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2)S(C)(=O)=O 1615504238 CFRUOYUATGFTNQ-IXDOHACOSA-N 450.605 2.109 30 10 JEEE CCOC(=O)c1c(NC(=O)N2CCN(CC(=O)N3CCCC[C@H]3C)CC2)c(C#N)cn1CC 1625714013 HANSCASPBLKZAZ-QGZVFWFLSA-N 458.563 2.107 30 10 JEEE C#CCN1CCC(NC(=O)c2cc(S(=O)(=O)N(CC)CC)ccc2Br)CC1 1635159645 BDIGSBXCDVETRX-UHFFFAOYSA-N 456.406 2.307 30 10 JEEE C#CCN(c1nnc(C2CCC2)n1CCc1nccc(C(F)(F)F)n1)[C@@H]1CCS(=O)(=O)C1 1689989274 CSLDGJRXUZFMDC-OAHLLOKOSA-N 468.505 2.224 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2Cc2ccn(C)n2)CC1 1690138067 RADBSFJQBGZCQL-QGZVFWFLSA-N 465.533 2.305 30 10 JEEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2F)C[C@@H]1C 1690301103 PBFRACYVTIIBNB-ZWKOTPCHSA-N 480.610 2.335 30 10 JEEE C=CCCOCCn1c(-c2cnccn2)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 1690506517 PRCCEHKLXDKVRI-GOSISDBHSA-N 452.515 2.399 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@]2(OCC)CCOC2)n1C[C@@]1(O)CCN(C)C1 1690558460 QNZMXPVQKGGYFK-RPBOFIJWSA-N 466.586 2.061 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](c2cnn(C)c2)C1 1690678033 IWQDWNSYFKCXPH-HKUYNNGSSA-N 484.605 2.380 30 10 JEEE C=CCSCCn1c([C@@H]2CCCOC2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1690744408 ONIFSWUFZLRVFW-KSEOMHKRSA-N 476.691 2.470 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](CCC)OC)c1 1705506674 DWDNICSXIFTPNV-QUCCMNQESA-N 473.599 2.052 30 10 JEEE C#CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)CCN1CCOCC1 1705514890 MMCPEEGGNAOERP-UHFFFAOYSA-N 463.586 2.247 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1705571742 GYUPSMQLMSPDQH-QWFCFKBJSA-N 475.615 2.477 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2nc(C(F)(F)F)cs2)CC1 1705632133 IRBIVGLYTZNJRO-UHFFFAOYSA-N 469.537 2.475 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C[S@](C)=O)cc1 1705674507 KOKOHGMGNOUQJG-OXUZJWOWSA-N 460.625 2.099 30 10 JEEE C=CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H]1CCCN1CCCO 1705840956 IZGCBKHRYWRLKE-SFHVURJKSA-N 451.575 2.144 30 10 JEEE C=CCN(CCc1ccco1)c1nnc(C(=O)N2CCCC2)n1CC1(N(C)C)CCOCC1 1705878060 IKHSDEFVOJSLMT-UHFFFAOYSA-N 456.591 2.453 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@@](C)(OC)C1 1705894901 NTQQFQJEIOMAHX-JOCHJYFZSA-N 460.966 2.169 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1705930434 NDXKVFBTUPMLFC-UXHICEINSA-N 491.577 2.270 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)Cc1ncc(Cl)n1C 1705932363 CSMXQPKCBBBTGZ-UHFFFAOYSA-N 478.962 2.298 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 1705937104 ITOMLYOLARWKAA-FQEVSTJZSA-N 488.658 2.243 30 10 JEEE CCNC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](OC)C(C)(C)C)CC1 1710333027 FWXMSOCMAGDXSX-NRFANRHFSA-N 483.617 2.048 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CC(C)(C)OCC)[C@H]1CCS(=O)(=O)C1 1722361250 GCIBJQBAMFLRAI-INIZCTEOSA-N 451.980 2.435 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccc(Cl)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1722367291 MMHRDHIAMNEHEJ-DLBZAZTESA-N 464.975 2.119 30 10 JEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCN1C[C@H](C)O[C@H](C)C1 1722382294 HBCKWBIDCHOWBW-SZPZYZBQSA-N 476.629 2.024 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1722382398 BVLFYWIJRRYXCG-UNMCSNQZSA-N 469.586 2.285 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(C)nn1C 1722423286 YUTJHIWJKCERCS-SFHVURJKSA-N 456.547 2.049 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(C)cc2OCC)CC1 1722431947 QRWXGUBPDWPOQU-UHFFFAOYSA-N 459.554 2.436 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC2CCN(C(=O)OC)CC2)CC1 1722442587 ZQKYPTBECPEUAN-NHCUHLMSSA-N 472.634 2.430 30 10 JEEE C=C(C)Cn1c(COc2ccc(Br)cc2)nnc1N(C)CC(=O)N1CCOCC1 1722524931 ZQDWQZYFOYRVKQ-UHFFFAOYSA-N 464.364 2.491 30 10 JEEE C=C(C)Cn1c(Cc2cccnc2)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1722526662 ZLXMWBAPNCKKAS-UHFFFAOYSA-N 456.547 2.490 30 10 JEEE C=C(Cl)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(CNC(C)=O)CC1 1722545532 HXQJDARVRREKLF-UHFFFAOYSA-N 481.022 2.300 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCn1cc(C)cn1 1722663617 DBGMGMPASNBLRG-LJQANCHMSA-N 491.643 2.070 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[C@H](C(=O)OC)C1 1722696013 XZTWZYGTGGOMBR-KRWDZBQOSA-N 457.531 2.042 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1722702462 OKQPGOHLPHLIKH-LJQANCHMSA-N 466.586 2.271 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCC1CC1 1722727132 GGUJBOFXNYACST-GOSISDBHSA-N 483.635 2.424 30 10 JEEE CN(C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N2CCCCC2)CC1)S(C)(=O)=O 1729389062 AZZKYUBGRQYCTH-UHFFFAOYSA-N 499.641 2.080 30 10 JEEE COC[C@@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCCN(c2ccccc2C#N)CC1)OC 1730473102 HYJHZZSOWNPNIQ-JOCHJYFZSA-N 478.601 2.390 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1Cc1cc(F)ccc1SC)[C@H]1CCS(=O)(=O)C1 1740623217 PZKNHUSIAWNFQL-KRWDZBQOSA-N 472.571 2.271 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H]1CCCCN1CCCC)[C@@H]1CCS(=O)(=O)C1 1740626535 LMMMWNVXHIKCPD-NJDAHSKKSA-N 463.648 2.063 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCOCC(F)F)[C@@H]1CCS(=O)(=O)C1 1740628903 WEZLJHBMPYXSEC-JFIYKMOQSA-N 474.574 2.105 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCO[C@H]1C(=C)C 1740632004 ZNQQWJKZSOUHRX-IRLDBZIGSA-N 467.595 2.249 30 10 JEEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cccc(C2OCCO2)c1 1740632607 UPKVFGDGGAKPRD-RUZDIDTESA-N 450.539 2.485 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1740670920 XBHIQTUVAFZMAM-RBUKOAKNSA-N 494.662 2.134 30 10 JEEE C#CCN(CCOC)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc2nsnc2c1 1740680167 TUBXMQVPZRSVIM-QFIPXVFZSA-N 456.572 2.458 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2C[C@H]2OCC[C@H]2C)CC1 1740707003 LGIZCDXOAULXGB-XMSQKQJNSA-N 451.571 2.268 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CC2(SC)CCOCC2)CC1 1740707338 YUEZCDWGOIFAAS-UHFFFAOYSA-N 468.627 2.142 30 10 JEEE C#CCSCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC(=O)N(C)C[C@H]1C 1740718797 VRPXQRSOWYOSNI-QGZVFWFLSA-N 476.647 2.426 30 10 JEEE C=CCN(c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@]1(O)CCS(=O)(=O)C1)C1CC1 1740906806 LHRIYLZONJKDIW-HXUWFJFHSA-N 497.415 2.421 30 10 JEEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2ccc(F)cc2Cl)C1 1740963207 CVZJOOQZGNGVJL-SFHVURJKSA-N 476.940 2.073 30 10 JEEE CCCOc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H](C)N2CCN(CC)CC2)cc1OC 1745808432 HFQYDIZLROKGIV-UNMCSNQZSA-N 497.644 2.497 30 10 JEEE CNC(=O)[C@@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)c2cccs2)C1 1748130045 CSOCESHCTAFFDA-QHCPKHFHSA-N 463.567 2.271 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H](CC)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1748803472 ZFNBDWWQEKPLMZ-AZUAARDMSA-N 457.600 2.237 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H](c1ccccc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1748811015 AAKKVERSBVGQMC-IFMALSPDSA-N 464.595 2.270 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCCN(C)c1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1748818082 VIEVYBDHVRLDAY-VQTJNVASSA-N 489.617 2.464 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCc2cc(OC)ccc21 1748962114 AFRLVXMLRJOYHK-VQTJNVASSA-N 472.611 2.395 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H]2CCCO[C@@H]2C(C)C)CC1 1749008894 ISNSQFAVHVNNFT-TZIWHRDSSA-N 453.591 2.096 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1749120480 DSKYCZZMTOGWIF-CHWQCYJSSA-N 494.390 2.377 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2cn3ccccc3n2)nnc1N(C)CC(=O)NC(C)C 1749134211 WGWNGOPSSOTLES-FDDCHVKYSA-N 451.575 2.459 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOc1ccc(S(C)(=O)=O)cc1 1749158686 KQKPRVYGHCMFSI-KRWDZBQOSA-N 482.628 2.065 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCOCc2ccccc2)CC1 1749343348 ZXUINITVAYNCFQ-NRFANRHFSA-N 475.615 2.230 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1749683436 SXCGRKKDMYWIHC-SFHLNBCPSA-N 472.634 2.242 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3ccccn3)n2Cc2cccc(S(=O)(=O)NC)c2)C1 1749703610 LGMKMNDNGPIQSN-SFHVURJKSA-N 454.556 2.078 30 10 JEEE Cc1nn(C)c(C)c1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1751821043 ALMCMFPBPUTZRD-HXUWFJFHSA-N 496.641 2.323 30 10 JEEE C#CCCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1760135477 XIYGWBMYAGQQTQ-INIZCTEOSA-N 454.556 2.411 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccnc(OC2CCOCC2)c1 1760207917 BSXGQAPEHJUUMY-REWPJTCUSA-N 465.554 2.076 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@H]2CCOC[C@@H]2OC)CC1 1760256159 FCFFOQWEGQOHSI-IPJJNNNSSA-N 457.550 2.364 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC2(O)CCC2)CC1 1760260300 ZCUJVWFBFBNRAD-LJQANCHMSA-N 458.607 2.063 30 10 JEEE C#CCSCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CC[C@@](C)(C(N)=O)C1 1760279987 LGFDLGUGCMSERF-XMMPIXPASA-N 479.610 2.304 30 10 JEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 1760525504 HYLRWPMRFJTGSD-UHFFFAOYSA-N 481.630 2.176 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCCN(C2CCCC2)CC1 1760555476 GMZMCYKLUCQQCN-LJQANCHMSA-N 451.637 2.228 30 10 JEEE C[C@@](O)(Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(OCC(N)=O)CC1)c1cccs1 1761510225 FASGXAVHAXKGDP-HSZRJFAPSA-N 466.567 2.257 30 10 JEEE C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]2(C)[C@@]1(O)C(=O)[C@H](O)OP(=O)(O)O 1848437837 KJBJVISUYMGXJC-KKLACTPVSA-N 452.440 2.188 30 10 JEEE C=CCNC(=O)[C@@H]1C[C@H](O)CN1C(=O)c1ccc2c(c1)C(=O)N(c1c(CC)cccc1CC)C2=O 1861531843 OQZNXDYPDMTIQT-UGKGYDQZSA-N 475.545 2.490 30 10 JEEE CCOC(=O)C1CCN(C(=O)[C@@H](C)NC(=O)C2CCN([C@H](C#N)c3cccs3)CC2)CC1 1868782885 MKXXLCRKAZTMCS-VQIMIIECSA-N 460.600 2.331 30 10 JEEE COCCN1CC(=O)C(c2nc(C)cs2)=C1NC(=O)c1ccc2c(c1)C(=O)N(C(C)(C)C)C2=O 1873710755 SOWHJYRQJODUPG-UHFFFAOYSA-N 482.562 2.476 30 10 JEEE COc1ccc(-n2nnc3c(N4CCN(C(=O)c5cc(C#N)ccc5F)CC4)ncnc32)cc1 1891686639 ZDIFGGHPGHSPHX-UHFFFAOYSA-N 458.457 2.192 30 10 JEEE N#C[C@H]1CN(S(=O)(=O)c2ccc(CO)cc2Br)CCN1Cc1ccccc1 2157781677 WTWQZOHPYNSDQZ-KRWDZBQOSA-N 450.358 2.340 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H](CO)NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)s1 2247824324 XEAKAMCQMDXXIA-NSHDSACASA-N 460.789 2.316 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2255712067 IHMNQYGCNXXPSX-AWEZNQCLSA-N 452.382 2.413 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)s2)CO1 2256623678 GPJQFETXUAOSMA-CHWSQXEVSA-N 453.370 2.311 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@H]1CC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2256679102 UNHHEGOBTDMSAW-CHWSQXEVSA-N 453.370 2.311 30 10 JEEE CC[C@](C)(CNC(=O)OC(C)(C)C)N(C)C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2267503243 AJUVAOPCHQIMMG-JOCHJYFZSA-N 450.389 2.485 30 10 JEEE CC1(C)OB(c2nscc2C(=O)NC[C@]2(O)CCCN(Cc3ccccc3)C2)OC1(C)C 2267541449 DIKIOYHWXZEFGC-HSZRJFAPSA-N 457.405 2.199 30 10 JEEE CC1(C)OB(c2cscc2S(=O)(=O)NC[C@@H]2COCCN2Cc2ccccc2)OC1(C)C 2267727318 IODBHVSUDLKLMN-GOSISDBHSA-N 478.445 2.227 30 10 JEEE COCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2268645875 WGBDEGOQCJNHOG-HNNXBMFYSA-N 453.320 2.388 30 10 JEEE C[C@@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)C1COC1)c1nscc1B1OC(C)(C)C(C)(C)O1 2268664795 XZEUWUZPLBAGHE-MLGOLLRUSA-N 467.397 2.159 30 10 JEEE CC(C)(C)OC(=O)NC[C@H](O)CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(F)cc1Cl 2270429742 PECFFXXDNCUMOZ-GFCCVEGCSA-N 472.750 2.394 30 10 JEEE Cn1ncc(C(=O)N2CCCC[C@H](CNC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2281827609 YBCHJKDKJPIVIP-MRXNPFEDSA-N 462.400 2.486 30 10 JEEE CC(C)(C)OC(=O)N1CC2(CC[C@@H](CNC(=O)c3occc3B3OC(C)(C)C(C)(C)O3)O2)C1 2282034249 FNIOCQYXDVDYCT-HNNXBMFYSA-N 462.352 2.477 30 10 JEEE CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282340556 HJBBBTVAVCMULT-QHCPKHFHSA-N 492.472 2.305 30 10 JEEE C[C@H]1CC[C@H](NC(=O)C(F)(F)F)CN1S(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2282345505 PMBYGCPSZOZRDJ-ZFWWWQNUSA-N 476.326 2.206 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCCC2CCN(C(=O)OC(C)(C)C)CC2)n1 2282544461 SLTCEHKFBSAQLU-UHFFFAOYSA-N 462.400 2.486 30 10 JEEE C[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2CN1C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2282551198 IEJLHRLOTJWDLX-OWCLPIDISA-N 460.384 2.047 30 10 JEEE CN(C[C@@H](O)COCc1ccccc1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(O)cc1O 2282988879 XJGPTZIOQZGMKX-QGZVFWFLSA-N 457.332 2.047 30 10 JEEE CO[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C1 2284047939 HXKJJQWMIJHNQW-HUUCEWRRSA-N 481.424 2.473 30 10 JEEE COC(=O)c1[nH]c2cc(OC)cc(OC)c2c1C=Nn1cnnc1SCC(=O)NCc1ccco1 2321876554 DIVCRAMLWLWEIU-UHFFFAOYSA-N 498.521 2.447 30 10 JEEE CCCNC(=O)CSc1nnc(CNC(C)=O)n1N=Cc1cc(Br)ccc1F 2330742692 XGMIASHHEIWOPB-UHFFFAOYSA-N 471.356 2.316 30 10 JEEE CCCN(CCC)C(=O)CSc1nnc(CNC(C)=O)n1N=Cc1ccccc1C(=O)O 2330778128 GZPRZDOQHHUTHB-UHFFFAOYSA-N 460.560 2.235 30 10 JEEE Cc1c(NC(=O)C(CO)(CO)NC(=O)OC(C)(C)C)ccc(B2OC(C)(C)C(C)(C)O2)c1Cl 2370319264 DAMWKDFJHOUZOD-UHFFFAOYSA-N 484.786 2.134 30 10 JEEE CC(=O)c1ccc(NC(=O)CSc2nnc(N/N=C/c3ccc(N(C)C)cc3)n2N)cc1 20527638 JHIMYZNAFHKFRC-FSJBWODESA-N 452.544 2.437 30 10 JEEE COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(C)o2)cc1OC 102511650 UWCSZXCRMMPZKK-SADKCHQCSA-N 456.495 2.359 30 10 JEEE C[C@@H]1CCc2c(sc(NC(=O)C[S@](=O)CC(=O)Nc3ccccc3C(N)=O)c2C#N)C1 586341555 BSLAKCZBJCJFSM-MDQXEJNYSA-N 458.565 2.169 30 10 JEEE Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)CCC(=O)NCc3ccc(C#N)cc3F)CC2)c1 609228666 BLDAJPHNNUQAAO-UHFFFAOYSA-N 486.569 2.244 30 10 JEEE C[C@H](NC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1C1CC1)c1ccccc1 729669351 LXPMIDNZCWTEJO-INIZCTEOSA-N 455.543 2.273 30 10 JEEE Cc1ccc(C)c(NC(=O)CSc2nnc(NN=Cc3cc([N+](=O)[O-])ccc3O)n2N)c1 1084084751 XTDKGFVZCAUFFR-UHFFFAOYSA-N 456.488 2.399 30 10 JEEE C=CC[C@@H]1CCCC[C@H]1NCC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 1171921106 SIORCVAJEOBVQU-YLJYHZDGSA-N 450.561 2.152 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3OCC[C@H]3COC)n2CCC(=O)NC(C)(C)C)c1 1286312627 XCMRMALMKNKFKQ-CVDCTZTESA-N 496.612 2.363 30 10 JEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(c2nnc3n2CCCC3)CC1 1286313876 GMSBNRUZLKNNNB-KRWDZBQOSA-N 474.635 2.004 30 10 JEEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1C[C@H]1CCN(CC)C1)[C@@H]1CCS(=O)(=O)C1 1286398344 XLULMKKFKKWCKD-FCHUYYIVSA-N 485.654 2.442 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1Cc1cccc(OCC(=O)N(C)C)c1 1286410606 FBCPHGHSHGKRBY-UHFFFAOYSA-N 481.560 2.105 30 10 JEEE C#CCN(CCOC)c1nnc(Cc2c(F)cccc2F)n1C[C@@H]1CCCCS1(=O)=O 1286467133 RHCPUWLVFLCHDJ-INIZCTEOSA-N 452.527 2.200 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccc3)n2C[C@@]2(O)CCSC2)n1 1286471073 HMRZXDMIINBFCL-QHCPKHFHSA-N 452.584 2.296 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2C[C@@H](C)CN2CCN(CC)CC2)CC1 1286489530 WLZITVTXFILIJD-QFIPXVFZSA-N 477.657 2.185 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Cl)n2CC2([S@@](C)=O)CC2)CC1 1286489533 WPZHGDGLACGKLX-WJOKGBTCSA-N 460.003 2.475 30 10 JEEE C#CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(C)C)CC1 1286508160 GIHXANKLKANZOU-LJQANCHMSA-N 478.663 2.483 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCNC(=O)C(C)C 1286515621 KIGRUPPGGQTFQZ-HSZRJFAPSA-N 471.631 2.311 30 10 JEEE C=C(C)COCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1286607292 FCZKJYUSAGEDHB-QFIPXVFZSA-N 484.601 2.030 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCNC(=O)c1cc[nH]n1 1286725618 XFNHITCRLPSIRC-MRXNPFEDSA-N 458.567 2.168 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1cccs1)N(C)C)C1CC1 1286738433 UWEKVXVALWXRLR-MSOLQXFVSA-N 480.660 2.130 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1286779861 NTCIGKQFUXTLIF-VFNWGFHPSA-N 476.375 2.394 30 10 JEEE C=CCNC(=O)Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCO[C@H](C#N)C1 1286791297 XUCCELUOMUVHMM-GOSISDBHSA-N 458.950 2.283 30 10 JEEE C=CCSCCn1c(Cn2ccc3ccccc32)nnc1N(C)CC(=O)N1CCOCC1 1286835506 XOSJAFRKFXGFOI-UHFFFAOYSA-N 454.600 2.495 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)c1ccc(F)cc1 1286966647 AOSRTCFUVSCXGL-JTDSTZFVSA-N 464.567 2.150 30 10 JEEE C[C@H]1CCCN1CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C#N)C1 1291135379 AOFWEZDALOGQCE-LPHOPBHVSA-N 457.966 2.075 30 10 JEEE CCCC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@](C)(O)CCOC)CC1 1293765945 AUTNBIWZDWTDRJ-DEOSSOPVSA-N 454.575 2.489 30 10 JEEE C#C[C@H]1CCCN(C(=O)c2cc(Br)cc(S(=O)(=O)N3CCOCC3)c2F)C1 1300008499 ORGVCNVBEPIDAS-ZDUSSCGKSA-N 459.337 2.095 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1nccc(C(F)F)n1 1300302466 AFRWFAPVISHVDV-ZDUSSCGKSA-N 450.453 2.426 30 10 JEEE C#CCCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC(=O)N(C)C[C@H]1C 1300342573 SKKVKWYLGMAYGA-MRXNPFEDSA-N 457.604 2.017 30 10 JEEE C#CCN(c1nnc(-c2ccccc2)n1Cc1ccc(OC)nc1OC)[C@@H]1CCS(=O)(=O)C1 1300488094 AQWJKHSQXDIEKH-LJQANCHMSA-N 467.551 2.032 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H](C)N(C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1300498415 KCUGEEJZTQMRKO-QPPBQGQZSA-N 492.649 2.411 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1ccnc(SCC)c1)[C@H]1CCS(=O)(=O)C1 1300502788 XOVBPLQMEDOVAR-FQEVSTJZSA-N 499.666 2.322 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CCOc1cccc(C(F)(F)F)n1 1300509244 HUNSNIBDHLAFND-UHFFFAOYSA-N 469.427 2.491 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1C[C@H]1CCCCS1(=O)=O 1300657300 KKZRIUPYHYTJOG-MRXNPFEDSA-N 484.420 2.099 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2Cc2csc(C)c2)CC1 1300688227 CRDURXSTMMBXNE-UHFFFAOYSA-N 484.651 2.369 30 10 JEEE C#CCSCCn1c(N2CCO[C@H](c3cnn(CC)c3)C2)nnc1[C@]1(OCC)CCOC1 1300778350 SZRKSVKBUOVYIM-UGKGYDQZSA-N 460.604 2.091 30 10 JEEE C=CC1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CC(=O)NCC(F)F)CC1 1301125606 PKKOJRTWFHNCDW-UHFFFAOYSA-N 460.533 2.236 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CC[S@](=O)C(C)(C)C)C1 1301544996 CGKNUXNNEBVRIO-FPYOTAMTSA-N 470.603 2.249 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1301576679 XSRKCECDNLLWDA-OAQYLSRUSA-N 481.525 2.006 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1301577329 HVRZDZGWYREFJD-UHFFFAOYSA-N 490.605 2.413 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@H](NC(C)=O)C1 1301586971 LBOWEHFXJBCEGE-IBGZPJMESA-N 466.007 2.228 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN1Cc1ccccc1 1301967728 FXWHSANFVSJIAG-NRSPTQNISA-N 456.616 2.441 30 10 JEEE CC(C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1303426780 AUEXVCDDMOFLJO-NRFANRHFSA-N 465.602 2.280 30 10 JEEE CS(=O)(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCC2CCOCC2)C1 1316354337 CBHUHKRIXUNPSM-FQEVSTJZSA-N 472.615 2.399 30 10 JEEE N#C[C@H]1CN(c2nnc(-c3ccc(F)cc3Br)n2CCNC(=O)C2CC2)CCO1 1316537507 CDTXGUYOEHKSOX-AWEZNQCLSA-N 463.311 2.102 30 10 JEEE Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)c2cc(-c3cccc(C#N)c3)no2)CC1 1356310596 CNRXRUMBYHBOEO-UHFFFAOYSA-N 455.496 2.355 30 10 JEEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1358904125 VXDZYVYXLQIUBT-UHFFFAOYSA-N 455.526 2.322 30 10 JEEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2Cc2cccn(CC)c2=O)CC1 1359038321 RNERGGDJMIKSEC-UHFFFAOYSA-N 460.582 2.459 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2Cc2cccc(NC(=O)OC)c2)CC1 1359046318 NHHFBYBLVHTEST-UHFFFAOYSA-N 487.564 2.456 30 10 JEEE C=C(Br)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1359076576 GBMNSZQRWHNPRP-UHFFFAOYSA-N 494.357 2.427 30 10 JEEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1359077940 OPRLMYOCFGPHJM-DNVCBOLYSA-N 469.384 2.396 30 10 JEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1359227492 CDQAKWJLWPGDEI-LJQANCHMSA-N 488.589 2.110 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCCOC2)n1CCS(=O)(=O)N(C)C 1359256759 PFUCRLOTSNCMKT-HXUWFJFHSA-N 458.588 2.128 30 10 JEEE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3ccccc3Cl)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1359357456 GXYJZXUUSHNNMW-IJCFDHGGSA-N 497.987 2.430 30 10 JEEE C=CCN1CC[C@@H](N(C)S(=O)(=O)c2cc(Br)c(C)c(C(=O)OCC)c2)C1=O 1463603699 FFUDKERSQZQMJY-MRXNPFEDSA-N 459.362 2.342 30 10 JEEE CN(C)[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](C#N)C1)c1cccs1 1503379877 DRSNLYMOPADPMC-JKSUJKDBSA-N 471.612 2.363 30 10 JEEE CO[C@@H]1CCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccccc2C#N)CC1 1504469210 CUXNLFAOYZMTFQ-TZIWHRDSSA-N 451.575 2.430 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(O)CC(OCC)C1 1507650766 SPWNZIJEAIWLSU-IXCHTMLJSA-N 471.602 2.395 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCNC(=O)c1cccs1 1507667061 IMKTZUVYBCDCFE-UHFFFAOYSA-N 485.573 2.146 30 10 JEEE C#CCN(CC)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CCN1CCN(C(C)=O)CC1 1507685234 MYPDMIFAUXZILD-UHFFFAOYSA-N 468.602 2.365 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1507731745 CAWNZJFLUXTOMK-HXUWFJFHSA-N 454.550 2.010 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC1 1507734714 UXLSXJLMEZZJAJ-LJQANCHMSA-N 494.518 2.075 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CCC(=O)NC2CCCCC2)CC1 1507738691 VRDIBYIPAURZMR-UHFFFAOYSA-N 477.613 2.453 30 10 JEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(F)c(OC)c2)CC1 1507743867 LUIWHUJAANFDLE-UHFFFAOYSA-N 460.579 2.257 30 10 JEEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1507754140 LPHHEDWVIPXRSP-GOSISDBHSA-N 455.650 2.184 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCCC[C@H]1CC 1507820735 LKOZGBSNWUPBTN-WOJBJXKFSA-N 468.668 2.278 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cn(C)nc1-c1ccccc1 1507821306 YOOLGSQFCSKKFX-NRFANRHFSA-N 499.641 2.462 30 10 JEEE C=CCCOCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1507966336 PWHICPJOXHLYRL-NHCUHLMSSA-N 490.649 2.364 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCc1cnn(C)n1 1508007321 ABWXLDZHMOBXBK-MRXNPFEDSA-N 461.617 2.196 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1508074962 UQUXRYZGINVWGK-XMMPIXPASA-N 471.558 2.039 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1508075923 CBLBHIXTTAKUQB-IBGZPJMESA-N 493.656 2.334 30 10 JEEE CN(C[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nccs2)C1)S(C)(=O)=O 1517222828 ATYCJKTXDIIPQD-QGZVFWFLSA-N 471.612 2.429 30 10 JEEE CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)Nc1nc3ccc(C#N)cc3[nH]1)n2C 1534357596 GCZBAXCMGJIIRV-UHFFFAOYSA-N 451.512 2.143 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1-n1nc(C)cc1C 1539014635 MQFUENBXTAUVQL-XLIONFOSSA-N 452.584 2.489 30 10 JEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C[C@H]2CCOC2)C1 1539072627 SPIIGYGVIAUBFB-NJYVYQBISA-N 479.647 2.058 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1Cc1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 1539204038 YAZGUQKEDPTYNH-UYAOXDASSA-N 498.609 2.225 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1CCCC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1539205001 DRJABECQSUCYQV-ROUUACIJSA-N 491.589 2.052 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1CCC1CC(OC(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1 1539215795 JHODHCGBMNZPJZ-XBMUEBEBSA-N 472.615 2.346 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1CCC1(O)CCC1)[C@H]1CCS(=O)(=O)C1 1539229854 IUMBBTHEIJJCAS-IBGZPJMESA-N 458.584 2.097 30 10 JEEE C#CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CC2CC2)CC1 1539517326 LWMFBZQRWFHYIW-HXUWFJFHSA-N 490.674 2.485 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1OC(C)C 1539557737 YVSFSFZLFFPGPX-ZJSXRUAMSA-N 487.626 2.439 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)c2ccccc2)CC1 1539612837 QYWIFFQKNLNKKW-RTWAWAEBSA-N 466.586 2.360 30 10 JEEE C=C(Cl)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1539793361 CXOHUWBVNDNFRO-OAHLLOKOSA-N 487.051 2.394 30 10 JEEE C=C1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCCN(C)S(=O)(=O)CC)CC1 1539849639 ZLROMSXYCHVWGK-UHFFFAOYSA-N 488.662 2.280 30 10 JEEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1539900861 VODRTQXBLUXRRN-JOCHJYFZSA-N 487.693 2.348 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(OC)c(OC)c1OC 1540070922 BMKVQGBKUVQEEE-MRXNPFEDSA-N 450.561 2.071 30 10 JEEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)N1CCc2ccccc2C1)C1CC1 1540095590 SQJCWOLOFHKCHF-MSOLQXFVSA-N 458.632 2.490 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1Cc2cc(Br)ccc2[C@@H](C)C1 1540869722 VACFHDMDIVFWBE-GUYCJALGSA-N 473.375 2.418 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 1540869971 BLLGRGYENCADMK-APWZRJJASA-N 471.537 2.014 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCn2cc(Br)cn2)C1 1540891109 OZKCRFOWAIEFSR-HOTGVXAUSA-N 464.368 2.060 30 10 JEEE CC(C)(C)OC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(C)(=O)=O)CC1 1541209366 HWEFMOMNRCDDGS-UHFFFAOYSA-N 474.587 2.355 30 10 JEEE CCOc1ccc(C#N)cc1NC(=O)CNC(=O)c1cccc(S(=O)(=O)N(CC)CC)c1 1543752123 BCPOOHQXTQHZCM-UHFFFAOYSA-N 458.540 2.356 30 10 JEEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CCn1cc([C@H]2CCOC2)cn1 1587667140 CTDSWMBOWBBFQM-IRXDYDNUSA-N 453.572 2.128 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC(C)(F)F)c1 1587693693 WAUMUMKKQHRTFF-MRXNPFEDSA-N 465.526 2.282 30 10 JEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCn2ccnc2C1 1587989062 GHQKHQBCOAWAIM-QZTJIDSGSA-N 455.563 2.115 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@H](SC)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1588035843 YGWFTAUAZGPDQA-SPEDKVCISA-N 484.688 2.335 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H]1CCCO[C@H]1C(C)C)[C@@H]1CCS(=O)(=O)C1 1588064319 FZIVEOSZZZUODU-WPYKKVEZSA-N 471.627 2.342 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1ccnc(C(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 1588065465 YZERYSLQNUHBOA-GOSISDBHSA-N 490.511 2.353 30 10 JEEE C#CCN(c1nnc(CCCc2ccccc2)n1Cc1cnn(CC)c1)[C@H]1CCS(=O)(=O)C1 1588069606 REGGWMISONMDGD-QFIPXVFZSA-N 466.611 2.345 30 10 JEEE C#CCN(CC)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1588445781 RSCVNMAJOOQICI-LJQANCHMSA-N 462.476 2.451 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCC(=O)N2CCOCC2)CC1 1588742048 MXJQODPCSQLRRS-JOCHJYFZSA-N 480.613 2.039 30 10 JEEE C=C(Br)Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1589289536 UEWRTHOVXWATBK-RHSMWYFYSA-N 469.428 2.262 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCCCO2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1589529167 LPJGLLMPUCMNSO-UFYCRDLUSA-N 467.636 2.267 30 10 JEEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)Cc2cccc(OC)c2)CC1 1593735379 FBBNHPWMGXJRQW-UHFFFAOYSA-N 477.569 2.228 30 10 JEEE C=C(Cl)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1593899742 BSRTYNRAQZEOBX-UHFFFAOYSA-N 453.996 2.296 30 10 JEEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN([C@H](C)c2nccs2)CC1 1594679792 JEXHMIFOOVNUSE-HZPDHXFCSA-N 453.638 2.194 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1595496973 MMICWXPNEFYLTE-UHFFFAOYSA-N 481.645 2.251 30 10 JEEE C[C@H](C#N)CN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC(=O)NCC(F)F 1596821197 BVYJTNNJJQSPOB-CQSZACIVSA-N 469.537 2.370 30 10 JEEE CCN(C)C(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC(CC#N)CC1 1615098483 IDIRAOGUWCOEPC-UHFFFAOYSA-N 462.558 2.283 30 10 JEEE C=CCC1(O)CCN(C(=O)[C@]2(C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CCO2)CC1 1638656675 RTLPTZAZDQESMS-QHCPKHFHSA-N 454.564 2.264 30 10 JEEE C=CCn1c(S[C@H](C)C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)nnc1-c1cccc(OC)c1 1640969976 CTJGARJGROHYNB-GDBMZVCRSA-N 450.586 2.266 30 10 JEEE C#CCN(c1nnc([C@@H](C)CC)n1C[C@@H](C)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1689980606 VERRBCGWMVAOPO-GVDBMIGSSA-N 453.609 2.332 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CCOC)CCCCC1 1690077443 OTXONJKBFRYSQU-IBGZPJMESA-N 467.636 2.058 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2Cc2ccco2)CC1 1690137444 YZJNQYFENIRLGS-UHFFFAOYSA-N 480.956 2.469 30 10 JEEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](CNC(C)=O)C1 1690183450 ZEKNMKMKVZPTML-HXUWFJFHSA-N 452.584 2.448 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN(CC)CCC(F)(F)F 1690206381 PJYLAWIFFMDYTI-VQIMIIECSA-N 461.554 2.447 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(C)C(=O)C1 1690235825 FENWMIPRNGNAGH-FXAWDEMLSA-N 472.977 2.121 30 10 JEEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1690346622 YDGVNXFWGNMITI-CEXWTWQISA-N 476.990 2.107 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(CC)(CC)OC)CC1 1690410913 AWKDQHOKWKUBJY-GOSISDBHSA-N 455.625 2.219 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1690660915 QVNWUJUEUOZXJU-IRLDBZIGSA-N 496.612 2.165 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCC(NC(=O)c2cc(C)oc2C)CC1 1690723413 QMSRKEJBYVQDKZ-UHFFFAOYSA-N 461.588 2.365 30 10 JEEE CCN1CCCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](CNC(C)=O)C1 1695840029 BYIAENMDKRRJBC-FCHUYYIVSA-N 451.575 2.032 30 10 JEEE CN(C)C(=O)[C@@H]1CCCN1CCCn1c(-c2cccn2C)nnc1N1CCC[C@@](C)(C#N)C1 1696577792 BLOZNFFCLDASQH-RDPSFJRHSA-N 452.607 2.356 30 10 JEEE C#CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H](C)N1CCN(CC)CC1 1705551704 CRRVBFVTCMCMSR-NHCUHLMSSA-N 473.666 2.488 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCc1cn[nH]c1)[C@H]1CCS(=O)(=O)C1 1705561486 ULTATPSSFHQKBR-APWZRJJASA-N 472.546 2.150 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H](C)c1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1705565862 XEMWINBZYLNGPA-KXBFYZLASA-N 454.556 2.375 30 10 JEEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1CCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1705567894 BVCGCMXEZPRDBK-OAQYLSRUSA-N 471.627 2.196 30 10 JEEE C#CCSCCn1c(CCOc2ccccc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1705664200 XQZQWWYXZRDOIB-JOCHJYFZSA-N 482.654 2.009 30 10 JEEE C#CCSCCn1c(N2C[C@H](C)O[C@@]3(CCOC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1705664934 GDHSENHOODGLCW-NYVOZVTQSA-N 450.605 2.069 30 10 JEEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1705692309 FYGXAXDCTHWLRC-MHORFTMASA-N 472.428 2.456 30 10 JEEE C=CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(C(=O)OCC)CC1 1705816411 GACSWQUQSBIHQJ-UHFFFAOYSA-N 461.592 2.483 30 10 JEEE C=CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1705887125 PIRKRLVJEZUIOA-SFHVURJKSA-N 474.993 2.238 30 10 JEEE C=CCn1c(-c2noc3c2COCC3)nnc1N1CCC(C(=O)NCCCOC(C)C)CC1 1705889685 VCFNOZJNUUCIFQ-UHFFFAOYSA-N 458.563 2.340 30 10 JEEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(=O)CCc2ccccc2)CC1 1705891022 VEPOPICAMLGZNL-HXUWFJFHSA-N 457.600 2.038 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CCC[C@@H](C(=O)OC)C1 1705899504 VLOGSMRRWOBANX-CQSZACIVSA-N 462.348 2.399 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCCN(CC)C(=O)C1 1705930424 MWUBWDVLZZADPC-KRWDZBQOSA-N 479.578 2.217 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCC(C)(c2nc(C)no2)CC1 1705934657 STJJEBPRHGCEJN-UHFFFAOYSA-N 471.587 2.499 30 10 JEEE C[C@H](CN1CCOCC1)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C#N)C1 1706824283 CUBKJOHMNWSNCX-XLIONFOSSA-N 460.966 2.208 30 10 JEEE COCCn1cc(Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2CC[C@](F)(C#N)C2)cn1 1712464971 BQCPJYODQIGQCS-QFIPXVFZSA-N 455.494 2.295 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2Br)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1722288086 VWIPTUTZHUWFKW-LSDHHAIUSA-N 466.405 2.447 30 10 JEEE C#CCCCCn1c(C)nnc1N1C[C@H](NC(=O)OC(C)(C)C)C2(CCS(=O)(=O)CC2)C1 1722311733 YPHRWXMSKQYJJV-SFHVURJKSA-N 465.620 2.298 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2Cc2cc(C)no2)CC1 1722436339 DCCDWDBFFRXJCG-LJQANCHMSA-N 469.590 2.493 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCCSC)CC1 1722441202 NPSUHRNPXYIGCO-UHFFFAOYSA-N 455.588 2.034 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CC(=O)N(C)C)CC1 1722444229 HUTDTVNRUIEWOZ-INIZCTEOSA-N 472.977 2.126 30 10 JEEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1722454557 MINSPIQLQSVKID-DEOSSOPVSA-N 498.609 2.143 30 10 JEEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1722454669 GIZPZHNKYGPXHK-UHFFFAOYSA-N 452.632 2.323 30 10 JEEE C=C(Br)Cn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1722486800 FBNMOLLOKMVETB-SFHVURJKSA-N 498.447 2.499 30 10 JEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1nc(O)c2ccccc2n1 1722527454 JTXMRTRDUIMIAI-UHFFFAOYSA-N 451.531 2.392 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCC(=O)N2)n1CC1(S(C)(=O)=O)CCC1 1722654921 YWXFFGFDNXDUOK-LJQANCHMSA-N 473.599 2.398 30 10 JEEE C=CCn1c(-c2cccnc2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)C2(CCS(=O)(=O)CC2)C1 1722684868 QLAQJYXNCSEBDC-GOSISDBHSA-N 488.614 2.434 30 10 JEEE C=CCn1c(N2CCN(CC(=O)NC3CCCCC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1722690627 KGMIJSZRJSCLCM-DEOSSOPVSA-N 460.623 2.076 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC(CN2CCOCC2)CC1 1722695667 LRMYJMPJXMUBNI-UHFFFAOYSA-N 458.994 2.449 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](c2ccco2)C1 1722725926 UKMGOFOVBVPPFM-INIZCTEOSA-N 456.528 2.113 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC)[C@H](C)C1 1722730917 HMKUHAYWIDHRGD-MSOLQXFVSA-N 462.620 2.032 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ncccn2)CC1 1722731969 OOZLBFGLXYFSJJ-UHFFFAOYSA-N 462.558 2.146 30 10 JEEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1722737596 LTPYUAPDECRXNY-UHFFFAOYSA-N 467.603 2.034 30 10 JEEE CCC[C@@H]1C[C@H]1n1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(C#N)cc1 1728246735 CJZNHGBBCRDMPS-AQNXPRMDSA-N 458.588 2.480 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2Cc2ccc(OC)nc2)c1 1740564060 ZUIWGGJBARQYSA-UHFFFAOYSA-N 473.537 2.022 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CCc1cccc(F)c1F)[C@H]1CCS(=O)(=O)C1 1740618174 DDUWAKSGXGUYKI-MBSDFSHPSA-N 494.564 2.078 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCOc1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 1740621979 RJRUPUACHHSJGW-KRWDZBQOSA-N 474.974 2.038 30 10 JEEE C#CCN(c1nnc(Cn2ccc3ccccc32)n1CCC(=O)NC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1740624889 MKHCOQQMHTUAJW-HXUWFJFHSA-N 496.637 2.213 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1CCCCN1CCOCC1 1740653264 GREXQCFDLZBPFU-UHFFFAOYSA-N 459.554 2.169 30 10 JEEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(COC)CCOCC1 1740671562 JXHGAILIUKRYEE-LJQANCHMSA-N 477.606 2.489 30 10 JEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccc(NC(=O)[C@H]3CCCO3)c2)CC1 1740818636 PNWAZNJBFNJXRF-YLJYHZDGSA-N 488.614 2.211 30 10 JEEE C=CCCOCCn1c(-c2ccccc2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1740883435 UBEYRHMPHSOSOW-UHFFFAOYSA-N 485.614 2.091 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@H]1COCCO1 1740923758 UUEFNSZGSFMSRN-IRXDYDNUSA-N 452.602 2.240 30 10 JEEE CCN(CC)C(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2ccn(C)n2)CC1 1746057966 ADCQLYFOVBGMOM-UHFFFAOYSA-N 491.600 2.289 30 10 JEEE C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@H]1CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1748804177 DZRZDRHSRCMGID-IPMKNSEASA-N 452.621 2.455 30 10 JEEE C#CCN(c1nnc(CC2CCCC2)n1Cc1ncccc1N(C)C)[C@H]1CCS(=O)(=O)C1 1748820364 AIWBRGYSWLHDGL-IBGZPJMESA-N 456.616 2.147 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2Cc2ccc(C(=O)NCC)cc2)CC1 1749009552 SPNZJJPINYEYEY-UHFFFAOYSA-N 485.592 2.412 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CC2CCN(CCC)CC2)CC1 1749010310 LUQHRARYJUNJEL-UHFFFAOYSA-N 451.619 2.371 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1749129482 DVEGVJAIACCBJS-SBHAEUEKSA-N 481.663 2.452 30 10 JEEE C=C(C)COCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1749218775 WMQGNCIHKPOBGQ-JOCHJYFZSA-N 463.586 2.152 30 10 JEEE C=C(Cl)Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1749264625 AWHSYDJLOCZKHG-QGZVFWFLSA-N 466.995 2.032 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cc(F)ccc2F)CC1 1749342832 QAAIDYPWOCOCBL-IBGZPJMESA-N 467.542 2.340 30 10 JEEE C=CCCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1749401637 BERNKAICOWFQNU-OAQYLSRUSA-N 482.585 2.320 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccccc2S(=O)(=O)N(C)C)C1 1749717963 RUCGPBPWMATEFH-NRFANRHFSA-N 499.641 2.220 30 10 JEEE CC(=O)NC[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCN(C(C)=O)C2)C1 1749994339 HVYOITPYHLAACH-XZOQPEGZSA-N 493.612 2.340 30 10 JEEE C[C@@H]1CN(Cc2cccc(Cn3c(CN4CCCC4=O)nnc3N(C)[C@H](C)CC#N)c2)CCO1 1752396297 BFMQVOCVKRAFSN-WOJBJXKFSA-N 465.602 2.408 30 10 JEEE C#CCCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1760133086 VJKHZEPABQVKHM-UHFFFAOYSA-N 494.596 2.037 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2ccc(Cl)cc2)C1 1760155143 REVVBPINDRBINB-WOJBJXKFSA-N 494.017 2.256 30 10 JEEE C#CCN(c1nnc(COc2ccccc2OC)n1C[C@@H]1CCOC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1760193218 WVHGUVDDCGREAR-UFYCRDLUSA-N 488.610 2.165 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCCO[C@@H]2C(C)C)CC1 1760252940 YIZWOYZBQZSULV-TZIWHRDSSA-N 451.575 2.132 30 10 JEEE C#CCSCCn1c(-c2cc(F)ccc2Br)nnc1N1CCO[C@H](C(=O)NC)C1 1760274794 TZBMYNGAMKAAIZ-INIZCTEOSA-N 482.379 2.164 30 10 JEEE C#CCSCCn1c(CCc2ccccc2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1760283600 SWLUBVYYXLTEER-XMMPIXPASA-N 466.611 2.244 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCCO2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1760335536 NYURDQXJLRBXIB-HOJAQTOUSA-N 467.636 2.361 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC(C(=O)NCCCOC)CC1 1760336118 VCJVNXBPSYYZBG-PZJWPPBQSA-N 471.606 2.029 30 10 JEEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 1760341544 IGFLXXGGVNFIEV-AWEZNQCLSA-N 482.010 2.368 30 10 JEEE C=C(C)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1760347130 FOIKISUKNLPHHQ-QFIPXVFZSA-N 472.659 2.232 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(C(C)(C)O)cc2)CC1 1760402155 ICXRJBYOUUJVSB-NRFANRHFSA-N 489.642 2.289 30 10 JEEE C=CC[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCNC(=O)[C@@H]1CC)c1ccccc1 1760418757 XOTWWBQYMBQEAT-AABGKKOBSA-N 457.600 2.255 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)[C@@H](C)C1 1760532939 JSZBURWPBHYBNU-WFXMLNOXSA-N 475.615 2.316 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCN(Cc2csc(C)n2)CC1 1760554585 HMVMHSZLRUUPJH-UHFFFAOYSA-N 452.650 2.165 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCc2ccc(Cl)nc2C1 1760556631 KOYVTEDAVKDCSD-UHFFFAOYSA-N 458.975 2.476 30 10 JEEE CCN(C)C(=O)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCO[C@H](C#N)C1 1764681822 FVDXRAITYSGBHZ-CYBMUJFWSA-N 451.300 2.054 30 10 JEEE CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1766691548 GYJMWPZXYCJBBJ-NRFANRHFSA-N 466.567 2.148 30 10 JEEE COc1ccccc1Cc1nnc(N2CC[C@](F)(C#N)C2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1768919388 BSFMYOPPRPCYNT-CPJSRVTESA-N 483.592 2.262 30 10 JEEE CNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@](C)(O)c2cc(C)oc2C)CC1 1769356987 BAMUWSCJVDFORY-VWLOTQADSA-N 493.568 2.308 30 10 JEEE N#Cc1ccc(-c2nnc(N3CCC(CCC(N)=O)CC3)n2C[C@@H]2CCCN2CCCO)cc1 1771531815 DNLVPOIMNLDESZ-QFIPXVFZSA-N 465.602 2.145 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1772659867 JYHOFERSSVGMIQ-DYVFJYSZSA-N 467.954 2.053 30 10 JEEE O=C(/C=C/c1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 1860730809 IQIVCGBGEYJQNN-IZZDOVSWSA-N 453.436 2.407 30 10 JEEE Cc1ccc([C@H](C#N)NC(=O)CNC(=O)c2ccc3c(c2)C(=O)N([C@@H](CC(C)C)C(=O)O)C3=O)cc1 1867462220 UVMFQKYKOFKFPQ-SFTDATJTSA-N 490.516 2.201 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCCCN2C(=O)c3ccccc3C2=O)cn1CCOCCO 1870376797 VNFDDDWHTOJQDN-UHFFFAOYSA-N 495.576 2.096 30 10 JEEE C=CCN(CC=C)c1nc(=NCc2ccccc2)nc(Nc2ccc(S(N)(=O)=O)cc2)[nH]1 1871506995 FQWVXUOJAYTARU-UHFFFAOYSA-N 451.556 2.475 30 10 JEEE C=CCN=c1nc(N2CCC(C(N)=O)CC2)[nH]c(=Nc2ccc(Cl)c(C(F)(F)F)c2)[nH]1 1871593291 HASKEVWGSLEQAR-UHFFFAOYSA-N 455.872 2.431 30 10 JEEE C=CCn1c(C(=O)N(CCO)CCCC)cc2c(N3CCN(C(=O)OCC)CC3)ncnc21 1873562800 UDXCXMAKBIYGDO-UHFFFAOYSA-N 458.563 2.130 30 10 JEEE CCOc1ccc(/C=N/n2c(CNC(C)=O)nnc2SCC(=O)N(CC)CC)cc1OC 1874430009 OBONBIKVTJCLPP-FSJBWODESA-N 462.576 2.164 30 10 JEEE COCCc1nnc(SCC(=O)NCc2ccco2)n1/N=C/c1ccc(OC)cc1OC 1874470687 MXKBSZMTJDPZQO-FSJBWODESA-N 459.528 2.368 30 10 JEEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)c3ccc(N4CCOCC4)cc3)CC2)CC1 1889498254 GSBRCROHXVFNAH-UHFFFAOYSA-N 468.642 2.174 30 10 JEEE COc1cc(N2CCN(C(=O)[C@@H]3SCC(=O)N(C(C)C)[C@@H]3c3ccc(C#N)cc3)CC2)ncn1 1889660875 XVAJEADMKJOLPE-DHIUTWEWSA-N 480.594 2.099 30 10 JEEE O=C(NCC#CCN1CCc2ccccc2C1)C1CCN(S(=O)(=O)c2cccs2)CC1 1890691360 APPCLPXDYMOKJL-UHFFFAOYSA-N 457.621 2.327 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2CO)C1 2255161970 ZSVGODGXCKAXOG-IHSWXRNOSA-N 451.564 2.027 30 10 JEEE CC(C)(C)OC(=O)N1CC(CO)(NC(=O)c2scc(B3OC(C)(C)C(C)(C)O3)c2Cl)C1 2255598574 PYGMTAVQXDBSFH-UHFFFAOYSA-N 472.800 2.412 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](NS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)CCO1 2255750699 OJQWDGUANGLJLG-CYBMUJFWSA-N 474.410 2.267 30 10 JEEE CC(C)(C)OC(=O)N1CCS(=O)(=NC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)CC1 2255844229 SSUIPQOGWPRPAK-UHFFFAOYSA-N 471.410 2.301 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)N(C)Cc1sccc1B1OC(C)(C)C(C)(C)O1 2256614906 QFKQBNBRDOMDFJ-BBRMVZONSA-N 454.398 2.280 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](NC(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)CCO1 2266994053 PRHQWUHDHNQXLZ-KBPBESRZSA-N 467.397 2.244 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1NC(=O)c1c(F)cccc1B1OC(C)(C)C(C)(C)O1 2267447638 MKEQWTIJDKKYOB-JKSUJKDBSA-N 450.316 2.147 30 10 JEEE CC1(NS(=O)(=O)Cc2ccccc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2267466970 JUFGDYDLJITETI-UHFFFAOYSA-N 466.409 2.415 30 10 JEEE C=C(CS(=O)(=O)N1CCO[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1)B1OC(C)(C)C(C)(C)O1 2267468252 UKKHLQZIBKGIOL-OAQYLSRUSA-N 472.413 2.216 30 10 JEEE CN(C[C@H]1COCCN1C(=O)OC(C)(C)C)C(=O)c1ccoc1B1OC(C)(C)C(C)(C)O1 2267558328 ALEPGLBBHYQGFU-HNNXBMFYSA-N 450.341 2.287 30 10 JEEE Cc1c(B2OC(C)(C)C(C)(C)O2)csc1C(=O)N1C[C@H](O)C[C@@H]1CNC(=O)OC(C)(C)C 2267584527 HTGPTCYHRHNLEK-HUUCEWRRSA-N 466.409 2.456 30 10 JEEE C[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)O)c1nscc1B1OC(C)(C)C(C)(C)O1 2268716146 MHNZLDBZNDNEAF-SWLSCSKDSA-N 469.413 2.284 30 10 JEEE Cn1ncc(I)c1CNc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2269010569 TZBRXYULDMNUQU-UHFFFAOYSA-N 458.084 2.470 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](O)CN1C(=O)c1cc(F)ccc1B1OC(C)(C)C(C)(C)O1 2281769202 AZTLMRQPGAQUGH-HZPDHXFCSA-N 464.343 2.225 30 10 JEEE Cc1nc(C(=O)N(C2COC2)C2CN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2282013813 MBLFUEGGOSUDTK-UHFFFAOYSA-N 479.408 2.211 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CC[C@H]2NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2282031846 YMAQEKLZSXGBKB-USXIJHARSA-N 458.368 2.151 30 10 JEEE Cn1nc(C(=O)NC2CC(F)(CNC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2282033979 BEWCYJFNMKEVSJ-UHFFFAOYSA-N 486.781 2.498 30 10 JEEE COCC[C@H](CNC(=O)c1nc(C)ccc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2282034751 MHDPTHFAWKYDCA-MRXNPFEDSA-N 463.384 2.349 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)C[C@]12CCOC2 2282061374 KGLIIJGIKBGPCH-FPTDNZKUSA-N 479.408 2.341 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)N1C[C@@H](O)C[C@@H](NC(=O)OC(C)(C)C)C1 2282130839 PRGKYANLVBBQAA-MSOLQXFVSA-N 460.380 2.394 30 10 JEEE CC(C)(C)OC(=O)N[C@@]12CC[C@@H](CN(C(=O)c3ncncc3B3OC(C)(C)C(C)(C)O3)C1)C2 2282178511 GHNPYOGOPHMQAO-IQMFZBJNSA-N 458.368 2.295 30 10 JEEE CC(C)(C)OC(=O)N1CC(CCO)(NC(=O)c2cccc(F)c2B2OC(C)(C)C(C)(C)O2)C1 2282413054 YIIFNHNZSXSTEE-UHFFFAOYSA-N 464.343 2.227 30 10 JEEE COCCOCCN(Cc1ccccc1)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282508792 BBATVXCVIVWZSQ-UHFFFAOYSA-N 496.460 2.437 30 10 JEEE CCc1nn(C)c(C(=O)NC2(CC)CN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2282558525 CJRANYYHQSDRQJ-UHFFFAOYSA-N 462.400 2.411 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(F)c(C(=O)NCC2(O)CN(C(=O)OC(C)(C)C)C2)c1 2282598843 NGPDPVAEJKLSQM-UHFFFAOYSA-N 464.343 2.145 30 10 JEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@H]1CNCCN1Cc1ccccc1 2282829917 MLEXSYDRPFSPOR-LJQANCHMSA-N 491.488 2.108 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1NC(=O)[C@H](CCC(N)=O)NC(=O)OC(C)(C)C 2284127437 YFESNJOQUJHWJO-KRWDZBQOSA-N 461.368 2.392 30 10 JEEE CC(C)(C)OC(=O)N1CC2(CC[C@H](C(=O)NCc3ncc(B4OC(C)(C)C(C)(C)O4)s3)O2)C1 2284132408 FSERLAPHQYRVMZ-CQSZACIVSA-N 479.408 2.227 30 10 JEEE C=CCNC(=O)[C@@H](Cc1ccc(OC(C)=O)cc1)NC(=O)C=Cc1ccc(C(=O)OC)cc1 2325816526 SYEHLCZAMUXTPC-JOCHJYFZSA-N 450.491 2.441 30 10 JEEE CC(C)N1C[C@@H](c2nnc(SCC(=O)NCc3ccco3)n2N=Cc2ccc(O)c(O)c2)CC1=O 2329022130 SRWAQQIBUHHHQB-INIZCTEOSA-N 498.565 2.297 30 10 JEEE CC(C)(C)OC(=O)N1[C@H](CNC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C[C@H]2OCC[C@@H]21 2362570444 YJIFHXXGUUJGOM-CWRNSKLLSA-N 479.408 2.339 30 10 JEEE CC(C)N(CCNC(=O)c1ccc(/N=C2\N[C@H]3CS(=O)(=O)C[C@@H]3S2)cc1)Cc1ccco1 15941323 XVUGZZSXYHKCCZ-PMACEKPBSA-N 476.624 2.410 30 10 JEEE C=CCn1c(SCC(=O)NC(C)(C)C)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 23557694 KMUAOVRSEAALOX-UHFFFAOYSA-N 479.628 2.159 30 10 JEEE CCOC(=O)CSc1nnc(N)n1[C@H](CC)C(=O)Nc1c(C#N)cnn1-c1ccccc1 40174458 STZCNNVCAGJQOB-OAHLLOKOSA-N 454.516 2.163 30 10 JEEE CCOC(=O)N1CCN(CN2C(=O)C(=NNC(=S)Nc3cccc(OC)c3)c3ccccc32)CC1 254804688 ZBQGSAJAASGHEH-UHFFFAOYSA-N 496.593 2.464 30 10 JEEE CCO[C@H]1CN(C(=O)C#CCNC(=O)OCC2c3ccccc3-c3ccccc32)C[C@@H]1C(=O)O 757470611 KFMDDPSMXPORAL-GMAHTHKFSA-N 462.502 2.477 30 10 JEEE C=CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H]1C(=O)NC[C@@H]1C(=O)O 757544629 OTYMBDXPYPWZPD-BVSLBCMMSA-N 477.517 2.175 30 10 JEEE C=CCNS(=O)(=O)c1cccc(C(=O)O[C@@H](C)C(=O)Nc2cc(C(=O)OC)ccc2C)c1 820844487 HRZVUPDAKZLNSC-HNNXBMFYSA-N 460.508 2.430 30 10 JEEE COCCn1cc(C=NNc2nc(SCC(=O)Nc3nc4ccccc4s3)n[nH]2)cn1 1084119691 TXFAZIFXMRSBRB-UHFFFAOYSA-N 457.545 2.434 30 10 JEEE C=C[C@@H]1OCC[C@H]1C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCN(C)CC1 1124419139 XXIFGFCKWUGMNL-KNQAVFIVSA-N 462.616 2.143 30 10 JEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](O)c3ccccc3C(F)(F)F)CC2)cc1 1141413761 HMDDNQAIHVEPAU-GOSISDBHSA-N 453.442 2.144 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)C(=O)[C@@H](CCCC)NC(=O)[C@@H](C)NC(=O)C(C)(C)C)c1 1141896340 ACUUEXXUHHZKKG-YLJYHZDGSA-N 456.587 2.291 30 10 JEEE C#CCN(c1nnc(-c2cccc(Br)c2)n1CCc1cn[nH]c1)[C@H]1CCS(=O)(=O)C1 1286385789 ZNRDWIVLOFOOPJ-SFHVURJKSA-N 489.399 2.300 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H](C)c1nccs1)[C@H]1CCS(=O)(=O)C1 1286395957 UQLGBVMTUMZRLD-AEFFLSMTSA-N 456.597 2.151 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCN2CCCC[C@H]2CC)CC1 1286494086 RFOYAVDIGMUBJH-FCHUYYIVSA-N 456.635 2.402 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 1286825700 UWAPMMAYDKIDHK-LJQANCHMSA-N 477.587 2.031 30 10 JEEE CC1(C)CCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1289003323 FQZOTMJJGFKGPV-MSOLQXFVSA-N 450.609 2.177 30 10 JEEE CCc1nnc(Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CCO[C@@H](C#N)C2)s1 1292784206 CCFJESJBFKOWBJ-HNNXBMFYSA-N 472.962 2.052 30 10 JEEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)c2ccccn2)CC1 1300382482 VYMAFVIEKWPDRJ-FPOVZHCZSA-N 452.559 2.163 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1Cc1c(CC)nn(C)c1OC 1300657515 MXDQHUUJQRYNRY-UHFFFAOYSA-N 476.379 2.475 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCOc2cccc(OC)c2)CC1 1300683267 YQQFRGLGTHSBIW-UHFFFAOYSA-N 475.553 2.158 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@]2(O)CCSC2)CC1 1300726728 OMCSGLBZVCEKBL-HSZRJFAPSA-N 474.030 2.356 30 10 JEEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2cc(F)cc(F)c2C1 1301044909 NJYOZRSPBKVSAK-QGZVFWFLSA-N 473.933 2.204 30 10 JEEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1301188211 HMJVOXLCPWOACB-UYAOXDASSA-N 477.635 2.215 30 10 JEEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)NC(=O)OC(C)(C)C 1303638650 BMIICSDXZZPEOK-HUUCEWRRSA-N 454.597 2.222 30 10 JEEE CCS(=O)(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCCO2)CC1 1314547174 HDFFNGOKQUXEBM-OAQYLSRUSA-N 488.614 2.206 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1Cc1ccc(C)nc1)[C@H]1CCS(=O)(=O)C1 1358965134 OOBJQWPZSCMKMK-FQEVSTJZSA-N 453.543 2.386 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCN1C1CCCCC1 1358984937 KXXXGYQNVUOQEK-FPOVZHCZSA-N 460.648 2.148 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ccc(N(C)C)nc1 1359002714 JZIDMGJGIDWROJ-UHFFFAOYSA-N 467.599 2.164 30 10 JEEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1359284563 XSCARCLWLANBAQ-GOSISDBHSA-N 460.604 2.267 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN2C(=O)NC[C@@H]2C1 1359309137 JHCIKCSZPHFCRY-LJQANCHMSA-N 467.574 2.023 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCSC[C@H]1C 1359331137 OJXZVMWVPLWLHX-CQSZACIVSA-N 460.585 2.136 30 10 JEEE C#CCN(C(=O)Cn1cccc(C(=O)OC)c1=O)[C@H]1CCOc2ccc(Br)cc21 1456451630 UKIXNHVXVHTTIN-KRWDZBQOSA-N 459.296 2.383 30 10 JEEE CCCOc1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CC(=O)N2CCOCC2)cn1 1501253128 HXWNABBOMFJMQP-UHFFFAOYSA-N 475.553 2.344 30 10 JEEE CN(C)C(=O)CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1503362402 BBYBZZVKSFFZTD-LJQANCHMSA-N 470.599 2.089 30 10 JEEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1(OCCOC)CCOCC1 1507622852 NTPYOIQBFSPVNT-KDURUIRLSA-N 477.606 2.330 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H]1CCSC1)[C@H]1CCS(=O)(=O)C1 1507628053 MVOVAQNUOGISDU-AEFFLSMTSA-N 476.624 2.342 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1Cc1nccn1C(F)F)[C@@H]1CCS(=O)(=O)C1 1507639888 MVFUPVABPABQBM-OAHLLOKOSA-N 494.499 2.263 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(OC)c(OC)c1OC 1507658545 DFFPTGSOEDHOMD-UHFFFAOYSA-N 451.527 2.051 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(Br)cc2)n1CCS(=O)(=O)NC(C)C 1507663106 SOXNHDIQSBSDJR-UHFFFAOYSA-N 478.416 2.498 30 10 JEEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccnc(OC2CCOCC2)c1 1507678254 UHLPHQMPNWUAPR-UHFFFAOYSA-N 461.526 2.386 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(I)cc1 1507702581 KJVZZTVMPQHBSJ-UHFFFAOYSA-N 493.349 2.253 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2noc3c2CCCC3)CC1 1507734067 QILVCSVUNPPKLR-UHFFFAOYSA-N 481.601 2.077 30 10 JEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC(Nc2cc(OCC)ncn2)CC1 1507741247 NVJOMSPGVBRLSA-UHFFFAOYSA-N 484.630 2.150 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1508114661 FFLQMEHDSFFONN-IAGOWNOFSA-N 466.995 2.199 30 10 JEEE CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@H](C)CN1CCCCC1 1516586179 HJRQBSCHJCNGRX-LJQANCHMSA-N 469.638 2.177 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(C(N)=O)CCOCC1 1539012757 KQUIIDFMQGZTAE-MSOLQXFVSA-N 474.606 2.133 30 10 JEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1cccc(C(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 1539200867 QUSMPLVDXKXIOR-GOSISDBHSA-N 495.527 2.208 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1cc(COC(C)(C)C)on1)[C@@H]1CCS(=O)(=O)C1 1539223978 ATQZNRNWDGNZOE-HXUWFJFHSA-N 498.609 2.242 30 10 JEEE C#CCN(c1nnc(CCCc2ccccc2)n1C[C@@H]1CC=CCO1)[C@@H]1CCS(=O)(=O)C1 1539231710 XAZRPNQQLYHCSG-YADHBBJMSA-N 454.596 2.425 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccc(Cl)cc1OC)[C@H]1CCS(=O)(=O)C1 1539232078 ZFPQQKUILNZJOQ-ZWKOTPCHSA-N 464.975 2.467 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2Cc2ccc(N(C)C)nc2)CC1 1539428426 RIEGUIIERSZOPC-UHFFFAOYSA-N 472.597 2.412 30 10 JEEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1539706993 ZHUYYTMDMFDLOT-YADARESESA-N 476.622 2.464 30 10 JEEE C=C(C)COCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCN(C)C(=O)[C@@H]1C 1539744679 SPNUOCBQAVKGCY-SFHVURJKSA-N 479.585 2.496 30 10 JEEE C=CCC(C)(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1539906544 QEHOWHVWTDQHSV-SFHVURJKSA-N 488.614 2.439 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1540863726 CUPQZUUUBIOIQJ-HNNXBMFYSA-N 493.406 2.123 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N(CC)Cc1nc(O)c2sccc2n1 1540873443 XVDWLSGEDAZBPR-UHFFFAOYSA-N 464.555 2.303 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCC([C@@H]3CCCO3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1540908806 OEPDAXZWCMTFNB-REWPJTCUSA-N 482.647 2.315 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)C[C@@H](C)C#N)n1Cc1ccsc1Br 1541105012 DGNYMOBHHOVPJV-QWRGUYRKSA-N 461.411 2.356 30 10 JEEE CC[C@H](C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1)OC 1545282119 CEFMFZLKXJKTCJ-PXNSSMCTSA-N 460.604 2.350 30 10 JEEE N#Cc1ccc(OC2CN(C(=O)C3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)C2)cc1 1556130108 AXGFFDIFMVCTSO-UHFFFAOYSA-N 450.520 2.120 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1588173783 KHYNQHWDJQJXNV-HXUWFJFHSA-N 484.564 2.057 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1CC1(NC(=O)OC(C)(C)C)COC1 1588594141 GCPKONJUGGXQML-UHFFFAOYSA-N 466.542 2.196 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CCc2cccnc2)CC1 1588762825 MWQYCKIBUWJJSM-UHFFFAOYSA-N 462.554 2.364 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ccc(C(N)=O)cc2)CC1 1588876778 ISBZGTQTIYSIIX-NHCUHLMSSA-N 450.587 2.099 30 10 JEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1cc(C)cc(C)c1)C1CC1 1595058308 HRCGRVZBVRJQFD-OAQYLSRUSA-N 475.615 2.462 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1cn[nH]c1 1595100588 RJVUPNBHIPELFZ-FQEVSTJZSA-N 451.556 2.210 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C)C1)C(C)C 1595170855 KWXHZMRMVIRRNS-SLFFLAALSA-N 451.637 2.104 30 10 JEEE C=CCN(CC=C)c1nnc(COc2ccccc2F)n1CC1(O)CCS(=O)(=O)CC1 1595229089 MRTZCVDYVDMZIC-UHFFFAOYSA-N 450.536 2.114 30 10 JEEE C=CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1595367050 XSLPPSJXPMVHSG-OAQYLSRUSA-N 470.618 2.380 30 10 JEEE C=CCn1c(COc2ccccc2OCC)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1595447108 GRNZUUNTKFMVTH-UHFFFAOYSA-N 463.542 2.262 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCN(CC(=O)Nc2cccc(C)c2C)CC1 1595476999 PUQFWRWYNGHWJK-SFHVURJKSA-N 467.618 2.471 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N(C)C1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 1595545294 USYLFHZDPHKGRB-KAKFPZCNSA-N 474.606 2.451 30 10 JEEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 1595895691 OKWXTYSJBKUTJX-UHFFFAOYSA-N 472.590 2.421 30 10 JEEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N2CCOCC2)C[C@@H](C)S1 1612977484 DQYNFMFDAFBRRS-QZTJIDSGSA-N 470.599 2.308 30 10 JEEE CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 1617384096 BRKAFNQGZODIRD-UHFFFAOYSA-N 499.641 2.127 30 10 JEEE CS(=O)(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCOc2ncccc2F)C1 1620152248 CVUVFXFTTSELNL-SFHVURJKSA-N 470.530 2.443 30 10 JEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccn(-c4ccc(F)cc4F)n3)CC2)cc1 1625121091 FNJBIXQUYGCLPW-UHFFFAOYSA-N 457.462 2.169 30 10 JEEE COc1cc(C#N)ccc1S(=O)(=O)N1CCNC(=O)[C@@H]1c1ccccc1Br 1663216921 DBPNSRGTLFCCOX-KRWDZBQOSA-N 450.314 2.191 30 10 JEEE C#CCN([C@H]1CCOc2ccc(Br)cc21)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 1667305115 LFQLSOJIQLKSGA-ZDUSSCGKSA-N 455.290 2.239 30 10 JEEE N#Cc1ccc(S(=O)(=O)NC[C@H]2CCCN(C(=O)C(F)(F)F)C2)cc1Br 1670024544 HXIUCVPMQLFFLU-SNVBAGLBSA-N 454.268 2.400 30 10 JEEE C#CCN1CCC(NC(=O)NCC(C)(C)S(=O)(=O)c2ccc(Br)cc2)CC1 1678863265 STUAHHHQADSISG-UHFFFAOYSA-N 456.406 2.398 30 10 JEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc(OC)c(OC)c1 1689960037 WKFCZKUFGGTTAK-UHFFFAOYSA-N 454.556 2.373 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCSCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1689998872 ZKBJVTOJYQACAC-UONOGXRCSA-N 452.524 2.052 30 10 JEEE C#CCN(CC)c1nnc(-c2cc(Br)cn2C)n1CC1(S(C)(=O)=O)CCC1 1690062277 JJXBJRNZLMOCMU-UHFFFAOYSA-N 454.394 2.473 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3CC)n2C[C@H]2CCCCS2(=O)=O)CC1 1690133620 NQERBLYZYHLQTQ-OAQYLSRUSA-N 471.627 2.142 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2CCn2cc(Cl)cn2)CC1 1690133667 PDOZICVGLCIMGC-UHFFFAOYSA-N 455.950 2.171 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CC(C)(C)C(=O)NC)CC1 1690139790 ADFVSFDZWFFQLD-UHFFFAOYSA-N 496.612 2.090 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1C[C@H](N1CCOCC1)C(F)(F)F 1690195988 UKLVSBLNKNBRAX-WMQCIHAUSA-N 471.524 2.185 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(OC(C)(C)C)nc2)CC1 1690375819 VEKZBAAOQLPBOZ-IBGZPJMESA-N 490.630 2.388 30 10 JEEE C=CCSCCn1c(N2CCC[C@H](S(C)(=O)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1690752753 PTTBVIGSTCKLKW-FXAWDEMLSA-N 458.650 2.251 30 10 JEEE C[C@H]1CC[C@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2CCNS(=O)(=O)Cc2ccon2)C1 1693602447 DJPMSQBHLQEPQE-ROUUACIJSA-N 499.597 2.461 30 10 JEEE C#CCCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1705520688 BZLXFILAAODSRN-INIZCTEOSA-N 491.379 2.114 30 10 JEEE C#CCN(C)c1nnc(COc2ccc(Br)cc2)n1CCN/C(O)=C1/N=CC=CC1=O 1705557102 XOJPGBZGTQBITB-VXPUYCOJSA-N 485.342 2.215 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1c(Cl)c(C(F)(F)F)nn1C 1705612438 GWJXROWQIFZUTK-NSHDSACASA-N 464.901 2.094 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc3ccccc3o2)n1CCS(=O)(=O)N1CCSCC1 1705623434 RQINUZLXZSLVPQ-UHFFFAOYSA-N 489.623 2.156 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCN2CCC[C@@H]2C)CC1 1705645589 YEMMUAURHBQAIE-INIZCTEOSA-N 488.434 2.486 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCCNc2ccccn2)CC1 1705647613 HWGBYBBYTIBUSK-FQEVSTJZSA-N 451.575 2.383 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 1705661749 ILWHGZBQCRXNIQ-FQEVSTJZSA-N 493.699 2.022 30 10 JEEE C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1ccco1 1705689084 XXNJAQTXZFYQPS-HOCLYGCPSA-N 486.392 2.454 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1705700716 XNNVZMGGYGBWRD-XJUOHMSHSA-N 474.650 2.144 30 10 JEEE C=C(C)COCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@](C)(C(=O)NC)C1 1705730509 KOAFOENOQUZNGH-QHCPKHFHSA-N 474.993 2.417 30 10 JEEE C=C(Cl)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(CCOCC)CC1 1705753053 OSDYPHLCNOUZOF-UHFFFAOYSA-N 457.966 2.103 30 10 JEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)Sc1ccccc1 1705843411 DVLDYCMKZZEQGM-FUHWJXTLSA-N 451.618 2.414 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[C@H]2C[C@H]1CO2 1705898842 ZKFIUQILXDFVFF-GJZGRUSLSA-N 462.348 2.386 30 10 JEEE C=CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1705945691 PNFLPNOAPFSKEY-FGZHOGPDSA-N 478.707 2.323 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1C[C@H]1CCCCS1(=O)=O 1722277896 JTEJOXZNVQXCFS-UKRRQHHQSA-N 454.394 2.471 30 10 JEEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCN1CCOC(C)(C)C1 1722302459 SAXIYLNXIFLOHB-QHCPKHFHSA-N 479.673 2.212 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2C[C@H]2CCCN2CCCO)c1 1722305068 MCLRXMCRHWLKDN-HSZRJFAPSA-N 473.581 2.243 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC[C@H](C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1722360764 JMFXPOPBUAIVTN-GHTZIAJQSA-N 452.584 2.499 30 10 JEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@](C)(O)c1ccsc1 1722379099 LSYWQDAMZNEWAV-QFIPXVFZSA-N 468.608 2.280 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccccc2F)n1C[C@@H](N1CCOCC1)C(F)(F)F 1722424717 XPAFYZCUDYMXPR-GOSISDBHSA-N 455.456 2.433 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CC2(N3CCC(OC)CC3)CCCC2)CC1 1722429385 LILFBLBVIXBISN-UHFFFAOYSA-N 499.704 2.375 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc(C)nc2)CC1 1722444243 VGBJYYHHIRAUNX-VWLOTQADSA-N 466.586 2.036 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2Cc2cc(OC)c(OC)c(OC)c2)CC1 1722444552 AXJINBTWSNHIII-UHFFFAOYSA-N 492.580 2.324 30 10 JEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@](O)(Cc2cccc(Cl)c2)C1 1722458456 JYYCHLLDHFSWEE-PGRDOPGGSA-N 460.003 2.433 30 10 JEEE C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1722518718 HVYOAOQXVAYYBL-KRWDZBQOSA-N 462.396 2.355 30 10 JEEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1722608175 XCSZCNPVMQGYII-PMACEKPBSA-N 459.639 2.009 30 10 JEEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2cccc(F)c2[C@H]1C 1722630167 WVGUYGZTPKSWDA-XLIONFOSSA-N 493.605 2.467 30 10 JEEE Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc(C#N)cc3)n2C[C@H]2CCS(=O)(=O)C2)n1 1725935636 BDRKOCWRVKIKCF-HXUWFJFHSA-N 453.572 2.083 30 10 JEEE CCN1CCN([C@@H](C)Cn2c(-c3ccc(OC(C)C)c(OC)c3)nnc2N2CCO[C@H](C#N)C2)CC1 1728600941 ANAMXRJRJTTXKP-RBBKRZOGSA-N 497.644 2.496 30 10 JEEE C#CCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1740598751 BXNRTQGQLYPHCD-TZIWHRDSSA-N 484.626 2.421 30 10 JEEE C#CCN(c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@@](C)(O)C(C)C)[C@H]1CCS(=O)(=O)C1 1740621796 ZDFYUKQLESFMNF-YADARESESA-N 490.626 2.386 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2ccnc(OCC(F)(F)F)c2)CC1 1740707559 HGFDRUQKKCQQRK-UHFFFAOYSA-N 480.491 2.165 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1740758025 TZRKCRKVIHYTKT-CTNGQTDRSA-N 474.631 2.395 30 10 JEEE C=C(C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1740780245 NVCYZEIFQVDGCV-UHFFFAOYSA-N 491.383 2.295 30 10 JEEE C=CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)NC[C@@H]2C1 1740863028 MDSPCMITVQEMKD-QZTJIDSGSA-N 475.594 2.157 30 10 JEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)cc1C(F)(F)F 1740899016 CXPNMDAOZWJLOW-MRXNPFEDSA-N 477.484 2.439 30 10 JEEE C=CCN(c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCCCS1(=O)=O)C1CC1 1740907920 DBEDVGIXEWOUOL-HXUWFJFHSA-N 493.655 2.318 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1nccnc1C 1748673164 CIMAVHONZOSBRS-QFBILLFUSA-N 455.563 2.386 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CCNS(=O)(=O)c1ccc(C)s1 1748684166 DKOCSJMWPUMMGD-CQSZACIVSA-N 492.652 2.076 30 10 JEEE C#CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1748751474 XQKCGSGESCEIOU-ROUUACIJSA-N 465.620 2.429 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H]1CC(F)(F)CO1)[C@@H]1CCS(=O)(=O)C1 1748808901 IMOKVBJXVKXFIV-IAGOWNOFSA-N 496.536 2.013 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@H](OC)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1748812755 ZRZZSLWUQRBDIH-CTNGQTDRSA-N 453.568 2.298 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCOCC)[C@H]1CCS(=O)(=O)C1 1748824913 TVSMBFVXWJYQEH-IPMKNSEASA-N 452.621 2.250 30 10 JEEE C#CCN1CCN(c2nnc([C@H](CC)c3ccccc3)n2C[C@H]2CC(=O)N(CCOC)C2)CC1 1748976826 AYZHHUKBJFGDRR-JTHBVZDNSA-N 464.614 2.070 30 10 JEEE COCC[C@](C)(O)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCO[C@H](C#N)C1 1749601113 CIKAMYUHBXYJIC-KUHUBIRLSA-N 468.327 2.363 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC(CN2CCCCCC2)CC1 1749734273 HTNGWBNXHOXJDE-OAQYLSRUSA-N 465.664 2.475 30 10 JEEE Cc1noc(C)c1CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@H](C#N)C1 1751950508 DUMUJQATUYAHHP-GOSISDBHSA-N 469.933 2.438 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3OCC[C@H]3COC)n2CC2(C(N)=O)CCCC2)c1 1760128082 XYXIMFZVLYMIRZ-UGKGYDQZSA-N 494.596 2.104 30 10 JEEE C#CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CC1(O)CCS(=O)(=O)CC1 1760178431 NACLXIVTSVIIBY-UHFFFAOYSA-N 473.382 2.173 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1CC1CCN(CC(F)(F)F)CC1)[C@@H]1CCS(=O)(=O)C1 1760188721 CIONQZRVDAWKBP-GOSISDBHSA-N 473.565 2.132 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2Cc2nnc(C(C)(C)C)s2)CC1 1760271565 CENSLYRQMAZARP-UHFFFAOYSA-N 478.626 2.427 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccccc2F)n1CC1(O)CCS(=O)(=O)CC1 1760289239 NEYRGDWFIJKNIH-HTAPYJJXSA-N 476.574 2.489 30 10 JEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](CN2CCCCC2)C1 1760450898 VFRXKYREBDHVHR-UXHICEINSA-N 451.637 2.085 30 10 JEEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1760524576 BXTNVTFLHWCMEO-UHFFFAOYSA-N 486.483 2.396 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2cccc(C(=O)N(C)C)c2)C1 1760536080 CAJHPFOLBHPLJZ-OFVILXPXSA-N 469.586 2.462 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCN2CCN(C(C)=O)CC2)C1 1760549587 HSLCGMUDYZYVBW-DEOSSOPVSA-N 482.629 2.419 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@H](C(=O)NC)C1 1760551570 KPVMYGCESNMQMT-AWEZNQCLSA-N 469.970 2.301 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CC[C@H](N(C)Cc2ccccc2)C1 1760559115 JEXUYTOLZXMDMG-LEWJYISDSA-N 459.616 2.441 30 10 JEEE CC(C)(C)C(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1760717561 CNDDXLFGYHLSRJ-NHCUHLMSSA-N 482.585 2.275 30 10 JEEE Cc1cc(C)n(Cc2nnc(N3CCN(c4ccc(C#N)cc4F)CC3)n2CCC(=O)NC(C)C)n1 1762454529 HDKKAJSRRMDROW-UHFFFAOYSA-N 493.591 2.392 30 10 JEEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(Cc1ccco1)C[C@@H]1CCCO1 1767846961 DBAHFSSCPJEBNE-FQEVSTJZSA-N 470.555 2.145 30 10 JEEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C2CCCCC2)N(C)C)CCO1 1769242682 ICGWFKVZIYGNIK-VXKWHMMOSA-N 465.602 2.278 30 10 JEEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cc(C)no2)C[C@@H]1C 1771149300 BNQWPPPLEVKIGX-SFHVURJKSA-N 451.531 2.230 30 10 JEEE C=CCNC(=O)NS(=O)(=O)c1ccc(CCNC(=O)/C=C/c2ccc(OC)c(OC)c2)cc1 1858972672 GBYLSLMMXXUGGO-XYOKQWHBSA-N 473.551 2.250 30 10 JEEE COc1cc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2CCO)cc(OC)c1OC 1862743046 VGLYHHMKKHEDOM-GOSISDBHSA-N 458.423 2.191 30 10 JEEE C=CCN1C(=O)c2cccc(OC(=O)CCCN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)c2C1=O 1865795063 CTXCMXQEZDXOLL-UHFFFAOYSA-N 463.402 2.359 30 10 JEEE CCCCCCCCCCn1cc(OCC(=O)NCCCO)c(=O)cc1CN1CC(O)C1 1870358882 LLXNGQHCMBSCSW-UHFFFAOYSA-N 451.608 2.043 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCc2ccccc2OC)cn1CCN(C)C 1870641521 HGIPZOXJNLPSDX-UHFFFAOYSA-N 468.598 2.288 30 10 JEEE C=CCn1cc(OCC(=O)Nc2ccc(C)cc2Cl)c(=O)cc1CN1CCN(CCO)CC1 1870644350 AKTZZOILZBUJQK-UHFFFAOYSA-N 474.989 2.124 30 10 JEEE C=CCn1cc(OCC(=O)Nc2c(C)cc(C)cc2C)c(=O)cc1CN1CCN(CCO)CC1 1870744985 DPOJPHDDZCNILZ-UHFFFAOYSA-N 468.598 2.087 30 10 JEEE C=CCN(CC=C)c1nc(=NCCN2C(=O)CSC2=O)nc(Nc2ccc(N(C)C)cc2)[nH]1 1871696695 LMSJNYQCTWRWPY-UHFFFAOYSA-N 468.587 2.389 30 10 JEEE C=CCn1c(C(=O)Nc2ccc3c(c2)OCO3)cc2c(NCCN3CCOCC3)ncnc21 1873616138 FSLQEUBPSCXIDH-UHFFFAOYSA-N 450.499 2.342 30 10 JEEE COc1ccc(N2C[C@H](c3nnc(SCCO)n3/N=C/c3ccccc3C(=O)O)CC2=O)cc1 1874201361 YWTOLSNWYLAJQL-ANDSAHIGSA-N 481.534 2.472 30 10 JEEE COc1cc(CC(=O)N2CCC(OCC#CCN3CCN(C(C)C)CC3)CC2)cc(OC)c1OC 1890476983 GLQITORSEVIQGA-UHFFFAOYSA-N 487.641 2.292 30 10 JEEE CCCCCC[C@H](C)C=C(C)C=CC(=O)N[C@@H]1C[C@]2(O[C@@H]1O)[C@H]1O[C@H]1[C@](O)(CC(C)=O)[C@H]1O[C@H]12 2058696855 YFJWRMZGLWVCSQ-CGFPTAGKSA-N 477.598 2.316 30 10 JEEE CC(=O)O[C@H]1[C@@H]2O[C@]23[C@@H]2CC[C@]4(O)C[C@@H](O)CC[C@]4(C=O)[C@H]2CC[C@]3(C)[C@H]1c1ccc(=O)oc1 2069563988 RDQNOOHJEOAAIW-PDABUQCNSA-N 472.534 2.094 30 10 JEEE C#CCn1ncc(N[C@@H]2CCOC[C@@H]2NC(=O)OCc2ccccc2)c(Br)c1=O 2106034538 IADXDKNXUGTCMT-WBVHZDCISA-N 461.316 2.135 30 10 JEEE C[C@@H](CCNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2255799097 BTGOZSKIGNHMAH-ZDUSSCGKSA-N 475.442 2.165 30 10 JEEE Cn1nc(C(=O)NCC2CN(C(=O)OCc3ccccc3)C2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2255820370 OYLQNTITSPJZRB-UHFFFAOYSA-N 488.781 2.371 30 10 JEEE C[C@@H](O)CN(CCNC(=O)OC(C)(C)C)C(=O)c1ccsc1B1OC(C)(C)C(C)(C)O1 2257634667 YHYUAHKZODVPPQ-CQSZACIVSA-N 454.398 2.395 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NC[C@]23CN(C(=O)OC(C)(C)C)C[C@H]2CCO3)C1 2266521161 AMHGYUWDFFVGRF-LFPNWVDXSA-N 463.575 2.435 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H](C)CCN(C)C(=O)OC(C)(C)C 2267155747 YDHSUJZSZJXUSM-AWEZNQCLSA-N 450.389 2.403 30 10 JEEE Cn1ncc(CNC(=O)OC(C)(C)C)c1NC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2267164748 WJYXJLKAMRZVRD-UHFFFAOYSA-N 463.369 2.453 30 10 JEEE C[C@@H]1CCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C[C@@H]1NC(=O)C(F)(F)F 2267372615 QUCJGXJOOOLXOK-NEPJUHHUSA-N 482.355 2.125 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1COC[C@H]1NC(=O)c1cc(F)ccc1B1OC(C)(C)C(C)(C)O1 2267405429 ODUVGIZTKKSJLV-SJORKVTESA-N 450.316 2.147 30 10 JEEE CN(C)CCN(CCNC(=O)OC(C)(C)C)C(=O)c1ccoc1B1OC(C)(C)C(C)(C)O1 2267552943 WPORHWSQHYRJKB-UHFFFAOYSA-N 451.373 2.107 30 10 JEEE CC(C)(C)OC(=O)NCCOCCC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2268636971 JCXUTMRMGGZWGG-UHFFFAOYSA-N 453.320 2.390 30 10 JEEE C=CCC1(NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2CC)CN(C(=O)OC(C)(C)C)C1 2281973436 SDVQCCUIQLKVGI-UHFFFAOYSA-N 460.384 2.498 30 10 JEEE Cn1cc(C(=O)N2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)nc1B1OC(C)(C)C(C)(C)O1 2282044876 XEMYVTCMAJNFAW-WOJBJXKFSA-N 450.392 2.313 30 10 JEEE CN(C(=O)OC(C)(C)C)[C@@H]1CN(C(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CC12CC2 2282049520 AMHJVSNJEIQXLG-MRXNPFEDSA-N 460.384 2.191 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@]2(C[C@@H](NC(=O)c3occc3B3OC(C)(C)C(C)(C)O3)CO2)C1 2282055052 YWRKDGYGZMLHJY-IQMFZBJNSA-N 462.352 2.477 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H]2CCC[C@H]12 2282536900 IVKGFJOQEINATA-DJIMGWMZSA-N 460.384 2.237 30 10 JEEE C[C@H](CNC(=O)c1occc1B1OC(C)(C)C(C)(C)O1)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 2282551691 FMCHUYSVRLGAFC-IQMFZBJNSA-N 464.368 2.317 30 10 JEEE Cn1cc(C(=O)N2C[C@H]3[C@@H](NC(=O)OC(C)(C)C)CC[C@H]3C2)nc1B1OC(C)(C)C(C)(C)O1 2282552006 NPPXXWJHJQQUQO-XHSDSOJGSA-N 460.384 2.095 30 10 JEEE CCc1nn(C)c(C(=O)NCC2(C)CN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2282560659 OQTZBBXFBQTRSE-UHFFFAOYSA-N 462.400 2.269 30 10 JEEE COc1cccc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1COC[C@@H]1NC(=O)OC(C)(C)C 2282611014 FTDFZGZJWQJQNS-HOTGVXAUSA-N 462.352 2.016 30 10 JEEE CC(C)(C)OC(=O)N1CC2(CC[C@@H](CNC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)c[nH]3)O2)C1 2282644678 FFYWJJCTPBDMBG-INIZCTEOSA-N 461.368 2.212 30 10 JEEE C[C@@H]1CN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)CC[C@H]1NC(=O)C(F)(F)F 2282878750 KIHSAANGBQSWBG-TZMCWYRMSA-N 496.382 2.266 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1COCCN1C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1O 2282882070 GYYVYOYHNGOASK-MRXNPFEDSA-N 462.352 2.057 30 10 JEEE CON(C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)C1CCN(C(=O)OC(C)(C)C)CC1 2283056065 LGUUIGIKWMNDRF-UHFFFAOYSA-N 462.356 2.179 30 10 JEEE C[C@H](NC(=O)[C@H]1C[C@H](O)CN(C(=O)OC(C)(C)C)C1)c1nscc1B1OC(C)(C)C(C)(C)O1 2283945018 VOYHVUJOEWEEMO-KKUMJFAQSA-N 481.424 2.237 30 10 JEEE C=CC[C@@](C)(NS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC)C(F)(F)F 2286039199 HLISLSRWKXTLRV-WMLDXEAASA-N 452.451 2.271 30 10 JEEE C=CCN1C(=O)[C@@]2(C(=C(O)c3ccc(C)o3)C(=O)C(=O)N2CCN2CCOCC2)c2ccccc21 2297743100 BUQRHKMMXOCAPK-SANMLTNESA-N 477.517 2.029 30 10 JEEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@@H](NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)[C@H]2F 2359268179 YKQXAQUCTBOWKH-DMRZNYOFSA-N 464.347 2.317 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2CNC(=O)OC(C)(C)C 2359268609 YJAJZDILXFUDDF-INMHGKMJSA-N 460.384 2.237 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@H]2NS(=O)(=O)c1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2359283148 LGKZNGJBRGGMBZ-KKXDTOCCSA-N 482.383 2.411 30 10 JEEE CCCCCOc1c(OC)cc(/C=N/NC(=S)NCCN2CCOCC2)cc1[N+](=O)[O-] 169884289 YSBJHCUCPQRARJ-PXLXIMEGSA-N 453.565 2.303 30 10 JEEE CCOC(=O)c1c(NC(=O)C[S@@](=O)CC(=O)N(C)CCC#N)sc2c1CC[C@@H](C)C2 586294725 PVXYXHAMBWCDCI-BRRNQIAESA-N 453.586 2.109 30 10 JEEE COc1ccc(-n2c(=C(C#N)C(=O)NC(C)C)sc(=Cc3cnn4ccccc34)c2=O)cc1Cl 729672208 BWELRRQUFBDYDO-UHFFFAOYSA-N 493.976 2.236 30 10 JEEE NS(=O)(=O)c1ccc(NC(=O)CSc2n[nH]c(NN=C/C=C\c3ccccc3)n2)cc1 1084394826 KXLLPCPLEVVRMN-PRZHPYSASA-N 457.541 2.294 30 10 JEEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)n1 1226636258 GZRKBZLHVOBJQV-NRFANRHFSA-N 459.497 2.144 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2Cc2nccn2C(F)F)c1 1286311144 KFYRPESJTOXTDS-MRXNPFEDSA-N 455.469 2.478 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1Cc1nccn1C(F)F)[C@H]1CCS(=O)(=O)C1 1286392994 IMWLQSACMRHVJV-AWEZNQCLSA-N 496.490 2.414 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1CCc1ccc(OC)c(OC(F)F)c1 1286397612 BJVWAACMWSNOKW-UHFFFAOYSA-N 457.481 2.440 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1SCCc2ccccc21 1286446720 HFEUPLCVKNAAJT-PMACEKPBSA-N 475.640 2.101 30 10 JEEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2Cc2cccn(CC)c2=O)CC1 1286483615 QZYBKKJYTVYCCK-UHFFFAOYSA-N 460.582 2.057 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@H]2CCC(=O)N2)CC1 1286493745 GKBFBEDVDUBYRL-GOSISDBHSA-N 487.029 2.468 30 10 JEEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1286499177 FNGRBNXVJKRAGS-WOJBJXKFSA-N 476.624 2.099 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 1286507986 FDKCRVQHVDLSEX-ROUUACIJSA-N 497.687 2.382 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1CC1(OCCOC)CCOCC1 1286530049 FBQFVPCOVPXSSJ-SXWKCWPCSA-N 462.591 2.206 30 10 JEEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC[C@@H](C(F)F)N1CCOCC1 1286725549 VMIGCBQKQHWMAV-IBGZPJMESA-N 476.576 2.430 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1C[C@H](C)O[C@H](CC)C1 1286817967 ZTUIEBPTXZUXAP-FUHWJXTLSA-N 462.572 2.321 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 1286818489 JKSPSWFLUARSFR-GOSISDBHSA-N 474.631 2.320 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(F)(F)C1 1286819473 LXXYSHYCBKCGIB-UHFFFAOYSA-N 450.471 2.040 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 1286820573 NOETWPAVPDBSDT-QUCCMNQESA-N 481.663 2.498 30 10 JEEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCCN(C(=O)c2cccc(C)c2)CC1 1286824247 XSDMMXUBAMPYQI-UHFFFAOYSA-N 475.615 2.076 30 10 JEEE CC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCCS2(=O)=O)CCO1 1293636251 BKLBUOHCHDWNMP-QUCCMNQESA-N 459.572 2.311 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccccc1CN1CCCC1=O 1300506117 MWIICNMAUKDKPN-UHFFFAOYSA-N 467.533 2.169 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1([S@@](C)=O)CCC1 1300509066 DTJYXIXAITWCSX-WJOKGBTCSA-N 457.987 2.236 30 10 JEEE C#CCSCCn1c(-c2cccc(OC)c2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1300743667 XELIOMBVLSLZIN-CVDCTZTESA-N 482.654 2.309 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(c2ccccc2)CC1 1301043879 FEKHLFWRBKBNBH-IBGZPJMESA-N 481.022 2.080 30 10 JEEE C=CCN(CCOC)c1nnc(-c2cccnc2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1301420569 FWRIOQWSIJXLSD-VQTJNVASSA-N 460.604 2.183 30 10 JEEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 1301468666 IWHJALYJBKHCAC-OALUTQOASA-N 485.658 2.273 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1301515419 UWAGDYVAXSBWAL-UHFFFAOYSA-N 495.672 2.463 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1301589779 WXOBGDVQNOZBLV-RTBURBONSA-N 467.636 2.109 30 10 JEEE CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1306714376 GPGJPRNGEYLYJP-OAQYLSRUSA-N 451.575 2.272 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)NS(=O)(=O)c3ccc(-n4nc(C)cc4C)cc3)cc2C1=O 1317846613 ODKCFWZMHSAIGX-UHFFFAOYSA-N 464.503 2.390 30 10 JEEE C=CCOc1ccc(CC(=O)N2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)cc1 1353619552 VTXRNUMGGWYHQH-UHFFFAOYSA-N 458.565 2.332 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCc1nnc2n1CCCCC2 1358876374 IFKXPCALWKCDNK-GOSISDBHSA-N 496.641 2.214 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1CCS(=O)(=O)N(C)C 1358879583 UVNYOXGKHHKBRW-QGZVFWFLSA-N 457.556 2.466 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccc(OCCC)c1 1358890027 KEDVGKYTDRDGOX-WIYYLYMNSA-N 475.615 2.100 30 10 JEEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1CC1(NC(=O)OC(C)(C)C)COC1 1358897498 ADAMKOVTEDTZKL-KRWDZBQOSA-N 466.542 2.480 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1Cc1ccc(C)nc1)[C@@H]1CCS(=O)(=O)C1 1358959067 AYZDOCRCPPYPRH-HXUWFJFHSA-N 451.552 2.332 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CC(=O)NC1CCCCC1 1359023889 ZWQVTJQAMWUEAT-UHFFFAOYSA-N 463.542 2.129 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2Cc2cccc(C(C)(C)O)c2)CC1 1359044697 MCVMIFGICCZMEZ-NRFANRHFSA-N 465.598 2.414 30 10 JEEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1359128784 FYOUPYFHHFSJAH-IBGZPJMESA-N 474.009 2.329 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCCCN2CCC)CC1 1359164821 ARAUCCWSIYXMPW-UXHICEINSA-N 466.652 2.032 30 10 JEEE C=CCCCCn1c(CSc2ccc(C)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1359207042 XHABIALYHBNNMY-GOSISDBHSA-N 454.600 2.382 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCOC2)n1CCC[C@@H]1NC(=O)NC1=O 1359260756 NDCFCCQPBRLRTI-MJGOQNOKSA-N 456.522 2.492 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1359296866 XFSOYZWCGZNKKY-VSOVRNOCSA-N 455.559 2.252 30 10 JEEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1359301563 CBBPCZSXGZMFGX-UHFFFAOYSA-N 487.555 2.176 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(Cc3cccnc3)n2C[C@@H](N2CCOCC2)C(F)(F)F)C1 1359322834 CMNOOTBLLZAJPR-RBUKOAKNSA-N 466.508 2.308 30 10 JEEE C#CCN(CC(=O)N1CCN([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1)C(=O)OC(C)(C)C 1450825895 JIEMLHOIJJDWRB-GOSISDBHSA-N 450.580 2.010 30 10 JEEE COc1cccc(CC(=O)N2CCN(CC(=O)Nc3c(C#N)cnn3-c3ccccc3)CC2)c1 1459384252 FEKUHKWEFAPVJY-UHFFFAOYSA-N 458.522 2.078 30 10 JEEE CCO[C@]1(c2nnc(N(C)Cc3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CC2)CCOC1 1502634748 GMTOKUWOXNBNCB-JOCHJYFZSA-N 459.572 2.015 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1ccccc1OCCOC)[C@@H]1CCS(=O)(=O)C1 1507627123 CQZCFXOHRRWFEY-HXUWFJFHSA-N 481.578 2.040 30 10 JEEE C#CCN(c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCC)[C@@H]1CCS(=O)(=O)C1 1507632764 AMPMMULGRMLPJA-QZTJIDSGSA-N 481.619 2.013 30 10 JEEE C#CCN(CC#C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCN/C(O)=C1/N=CC=CC1=O 1507643408 VFOVYMRTDWYPLR-JHGXHUTESA-N 462.485 2.156 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@](C)(O)C(C)C 1507711552 WTPVNEWAHXCNCE-JPYJTQIMSA-N 465.595 2.080 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCn1ccnn1 1507714716 SXBQWTALKDQQBU-SFHVURJKSA-N 458.567 2.118 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3ccc4ccccc43)n2CCNC(=O)C(C)C)CC1 1507740190 JSKAANWSYAVXHA-UHFFFAOYSA-N 475.597 2.019 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](C(=O)OC)C1 1507798972 UUIOLXBNDFONLO-GGPKGHCWSA-N 474.583 2.329 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 1507843891 XRXQQQGBVDDDNV-MOPGFXCFSA-N 471.537 2.361 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1507844857 RHOWBMOCUUTDHH-MOPGFXCFSA-N 455.625 2.220 30 10 JEEE C=C(Cl)Cn1c([C@H]2CCCO2)nnc1N1C[C@@H]2[C@H](C1)[C@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1507875089 ZMSUSAADYCGMGR-KLHDSHLOSA-N 488.010 2.009 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c(-c2noc3c2COCC3)nnc1N1CCN(C(=O)NC)CC1)C(C)C 1508014932 YKMWAFYQEIJXMO-FQEVSTJZSA-N 498.632 2.166 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H]2COCCO2)C1 1508129463 RECUSVKQTHMWFW-FCGDIQPGSA-N 463.579 2.246 30 10 JEEE C=CCSCCn1c(N2CC[C@@](C)(N3CCOCC3)C2)nnc1[C@]1(OCC)CCOC1 1508169097 XSSCVTWUODXVQE-YADHBBJMSA-N 451.637 2.150 30 10 JEEE CN(C)C(=O)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC2(CCN(C)C2=O)CC1 1516959565 DZTBZSRQVSSBNT-UHFFFAOYSA-N 479.585 2.046 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CCOCC)CCCC1 1539017004 XCEDJQNNLDHPFL-MOPGFXCFSA-N 467.636 2.056 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1Cc1cccc(C(=O)NCCC)c1)[C@@H]1CCS(=O)(=O)C1 1539219662 LVJWFDKQKPLALQ-OAQYLSRUSA-N 471.627 2.291 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1Cc1ccc(C#N)o1)[C@H]1CCS(=O)(=O)C1 1539229292 BKEPZZXIIXRCGA-INIZCTEOSA-N 469.498 2.136 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@@H](C)CN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1539229634 FSCKGVCSROPHOO-VQTJNVASSA-N 489.617 2.355 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2csc(C)n2)n1CCS(=O)(=O)N(C)C 1539392848 XSYRSRNGIHSOFT-UHFFFAOYSA-N 476.603 2.304 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccc(N(C)C)cc2C)CC1 1539469978 WJATZIGFJDWRPY-HHHXNRCGSA-N 494.640 2.319 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](CCc2ccccc2)C1 1539706788 TVRDRHZOQWQSFY-LEWJYISDSA-N 475.615 2.025 30 10 JEEE C=C(C)COCCn1c(-c2ccc3ccccc3n2)nnc1N1CCN(CC(=O)N(C)C)CC1 1539736233 VEJLJDLBXDAPSX-UHFFFAOYSA-N 463.586 2.296 30 10 JEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(OC)c(F)c1 1540005794 OMHNTCLUNGZYFX-IBGZPJMESA-N 467.567 2.361 30 10 JEEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](c2ccc(F)cc2)C1 1540038338 ZTSKCLYSJAXIOM-CTNGQTDRSA-N 493.605 2.337 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCS(=O)(=O)C1 1540147097 NHIITWPQJNWUQP-IAGOWNOFSA-N 484.669 2.259 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCCO[C@@H](C)C1 1540900134 MBCCFDJOVGAZEM-INIZCTEOSA-N 450.561 2.178 30 10 JEEE CC(=O)N1CCC[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N(CCO)CCOCC(F)(F)F)C1 1540956140 RMZRFLSKGSUVAW-LJQANCHMSA-N 494.518 2.453 30 10 JEEE C#CCN(C(=O)c1nc2ncc(CCO)cn2n1)[C@H]1CCOc2ccc(Br)cc21 1543685410 GNKMOVIJHXVUJI-INIZCTEOSA-N 456.300 2.021 30 10 JEEE C=CCN(C(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)[C@H]1CCS(=O)(=O)C1 1562062511 IVPSUTDVVWZPBH-SFHVURJKSA-N 455.602 2.458 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CCc2cn3ccccc3n2)c1 1587683567 KRQBMGXDGGOJBK-UHFFFAOYSA-N 484.564 2.363 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3OCC[C@H]3COC)n2CC2(O)CCCC2)c1 1587696922 CPDITFHIUHIELY-UGKGYDQZSA-N 467.570 2.363 30 10 JEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(n2ncc3ccccc32)CC1 1587807938 LEUHOBJMIPQKBC-QGZVFWFLSA-N 455.588 2.493 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1Cc1snnc1C)[C@@H]1CCS(=O)(=O)C1 1588068885 BNQSAAKBABFKMH-GOSISDBHSA-N 486.623 2.309 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCN2CCCCC2)CC1 1588907382 BABPEUQNKPHXIR-UHFFFAOYSA-N 455.994 2.445 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1OCCOC 1589216118 JXFRDQDEROKDCT-AUSIDOKSSA-N 458.584 2.246 30 10 JEEE C=C(C)COCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1593752822 QUHYERKWCRPVTP-UHFFFAOYSA-N 479.560 2.421 30 10 JEEE C=CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1Cc1ccc(C(N)=O)nc1 1594943298 NKUSNLLVIDPORA-UHFFFAOYSA-N 458.526 2.229 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@](C)(O)C1CC1 1595302618 BTNNZRNDIOAPLC-MBSDFSHPSA-N 465.595 2.386 30 10 JEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(c2cccc(OC)c2)CC1 1595405433 PIIARPSFRDCMNB-FQEVSTJZSA-N 461.588 2.190 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN([C@@H](C)c2cccc(OC)c2)CC1 1595562100 NQBFBWQGTGNVNA-FQEVSTJZSA-N 475.597 2.458 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1595778102 WOWLDVWVKZWQLM-MJGOQNOKSA-N 475.615 2.236 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N(C)Cc1nc(O)c2sccc2n1 1595785373 YNKVRDWZXJAAFV-UHFFFAOYSA-N 459.557 2.221 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCC(N2CCCCC2=O)CC1 1595788739 IIVPIQCHZARJNL-UHFFFAOYSA-N 472.615 2.231 30 10 JEEE CCN(CC)C(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCCC2)CC1 1615328558 FIHFPWCIDRDZSK-UHFFFAOYSA-N 465.602 2.112 30 10 JEEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@H](c2ccsc2)C1 1618839691 DKYHLKOEPMMBLN-KXBFYZLASA-N 472.596 2.394 30 10 JEEE C#CCOc1ccccc1CNS(=O)(=O)C[C@H]1CN(C(=O)OCc2ccccc2)CCO1 1661583509 LDCBVDNDEYFSSW-OAQYLSRUSA-N 458.536 2.156 30 10 JEEE C=C(Br)CNC(=O)N1CC[C@@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 1677678783 IFODCVISEBMRGI-MCIONIFRSA-N 459.341 2.119 30 10 JEEE C#CCN(C)c1nnc(C(=O)NC(CC)CC)n1Cc1ccccc1CN1CCC(O)CC1 1689944720 YHMXYIRJNACZQK-UHFFFAOYSA-N 452.603 2.271 30 10 JEEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1sc(C)nc1C)[C@H]1CCS(=O)(=O)C1 1689982041 GRKRLMLCXUQWGP-PGRDOPGGSA-N 493.655 2.067 30 10 JEEE C#CCN(c1nnc(CC)n1Cc1cccc(NC(=O)C2CCC2)c1)[C@H]1CCS(=O)(=O)C1 1689993073 VCSQGKJTQNGNID-FQEVSTJZSA-N 455.584 2.254 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1cccnc1N1CCOCC1 1690063653 LJVLVRWUWNFIDP-UHFFFAOYSA-N 480.594 2.088 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2CCCCN2CCOCC2)CC1 1690150875 YTOUYBCDPLMFBE-UHFFFAOYSA-N 470.643 2.009 30 10 JEEE C#CCSCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCN(CC#C)CC1 1690170955 SEHNGCIUPPBGLZ-UHFFFAOYSA-N 475.622 2.358 30 10 JEEE C=CCn1c(N2CCN([C@H](C)C(=O)NC3CC3)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1690653598 YHBRZVYPCXYUQU-LMMKCTJWSA-N 473.622 2.024 30 10 JEEE Cc1ccc(NC(=O)c2nnc(N3CCO[C@@H](C#N)C3)n2CCNC(=O)c2cccs2)cc1C 1693119527 FYIJKNPQKXHKRN-SFHVURJKSA-N 479.566 2.368 30 10 JEEE CCN(CC)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN(C)C(C)C)CC1 1695596481 GFYJDLGNCVFUBK-UHFFFAOYSA-N 466.634 2.147 30 10 JEEE CCS(=O)(=O)N(C)CCCn1c(-c2cccc(C#N)c2)nnc1N(C)C[C@H]1CCCCO1 1696489201 GAWIAAZEDIUMMG-HXUWFJFHSA-N 460.604 2.494 30 10 JEEE C#CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1705516479 CGXDGQANXBDLQU-UUOWRZLLSA-N 472.590 2.249 30 10 JEEE C#CCCCn1c(N2CCC(NC(=O)c3cc(C)on3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1705539678 YIJUHSFGYWJWMC-DEOSSOPVSA-N 470.574 2.427 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CCCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1705567860 BASNDWHEAOTZSP-OAQYLSRUSA-N 482.610 2.387 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1ccc(OC(C)C)nc1)[C@H]1CCS(=O)(=O)C1 1705569157 CUIPGWUUDGWEIA-NRFANRHFSA-N 480.594 2.121 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)CC1 1705632443 QHWPYPDCPOIFBQ-SFHVURJKSA-N 475.638 2.207 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2C[C@@H]2C[C@H](F)CN2Cc2nccn2C)CC1 1705644855 DKUXTCYJHOWWBO-GIVPXCGWSA-N 484.624 2.104 30 10 JEEE C=C(C)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1705722920 PBJACYNHBWYXGB-UHFFFAOYSA-N 462.558 2.085 30 10 JEEE C=C(Cl)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC(NS(C)(=O)=O)CC1 1705751893 AXXVUKBMSSXMFH-UHFFFAOYSA-N 461.979 2.401 30 10 JEEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCN(C(=O)CCc2ccc(OC)cc2)CC1 1705901773 WFRPBGFJIFIYRP-UHFFFAOYSA-N 466.586 2.138 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 1705932164 NSQJBYHIEYMFGX-MRXNPFEDSA-N 459.494 2.489 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@]1(C)OCCc2sccc21 1706069465 CZPVZZJUHHAAAL-LPMFXHHGSA-N 452.606 2.034 30 10 JEEE C[C@H](CC#N)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1(C(N)=O)CCCC1 1706747845 CUAVOBRQCPQGGT-OAHLLOKOSA-N 458.592 2.022 30 10 JEEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1Cc1cccc(COC)c1 1710734430 CLMVKINRXCVVOO-GOSISDBHSA-N 462.558 2.386 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1CCN1CCN(C(C)=O)CC1 1722277284 MCROQZFWJPVBKE-PMACEKPBSA-N 468.602 2.439 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CC(C)(C)COC)[C@H]1CCS(=O)(=O)C1 1722364282 FMMFKAWTTTYICF-INIZCTEOSA-N 466.554 2.446 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccc(Cl)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1722367293 MMHRDHIAMNEHEJ-IRXDYDNUSA-N 464.975 2.119 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1C[C@H](c1cccc(OC)c1)N(C)C)[C@H]1CCS(=O)(=O)C1 1722370676 DRUZDLQPYYQRHG-RBBKRZOGSA-N 471.627 2.169 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@](C)(O)c2cccc(Cl)c2)CC1 1722431161 GPFWKGYAWASTQY-DEOSSOPVSA-N 479.972 2.242 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCNc2ncc(Cl)cc2Cl)CC1 1722432762 DCKYJOJVGVMKMN-JOCHJYFZSA-N 494.427 2.499 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC(C)(C)C(=O)NCC)CC1 1722432788 DZEBEDNNKAXJDM-UHFFFAOYSA-N 460.529 2.464 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(F)cc3Br)n2CCc2n[nH]c(C)n2)CC1 1722435802 PXPCXKISZSYXPU-UHFFFAOYSA-N 473.354 2.271 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1722519371 CYQJRYODYIGOQN-HXUWFJFHSA-N 471.587 2.083 30 10 JEEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1722530693 BCRKNHAQEOSEBW-NZQKXSOJSA-N 469.634 2.255 30 10 JEEE C=CCC(C)(C)Cn1c(N2CCC([C@H]3NC(=O)N(C)C3=O)CC2)nnc1[C@]1(OCC)CCOC1 1722593512 UEXOBINKRCMVHW-KOSHJBKYSA-N 474.606 2.299 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCN2CCOC[C@H]2C1 1722723978 JYCUPUVLRDDOOA-NHCUHLMSSA-N 489.642 2.157 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCN1Cc1ccccc1 1722862838 FNVPUXSBXGALLV-QWFCFKBJSA-N 459.620 2.149 30 10 JEEE Cc1nn(C)c(C)c1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1725817127 BEFSWNVGYGUOGC-HXUWFJFHSA-N 483.598 2.141 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1(C(=O)NCC)CCC1 1740538041 JSGWZWFSDMJQNG-INIZCTEOSA-N 471.631 2.311 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)Nc3ccccn3)n2CCOC(C)C)c1 1740561721 IAFVDEFHLUKFPU-UHFFFAOYSA-N 461.526 2.407 30 10 JEEE C#CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1740571987 XGQLMRIFSTUQHR-IBGZPJMESA-N 461.570 2.300 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1Cc1ccccc1 1740592045 SLHRULVAYNMTCX-RTWAWAEBSA-N 457.600 2.236 30 10 JEEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1CCOc1cccc(C(F)(F)F)n1 1740631935 FGQQYRBCJXHTIF-NRFANRHFSA-N 463.460 2.496 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC(=O)NCC2CC2)CC1 1740699870 WWHHCILBJIDXEO-UHFFFAOYSA-N 464.614 2.436 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@]2(O)CCSC2)CC1 1740703860 GDZZGSGLFZRSOI-QFIPXVFZSA-N 460.003 2.432 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CSc3ccccc3OC)n2CC2(O)CCOCC2)CC1 1740707511 FPPBDBUFVQAMCP-UHFFFAOYSA-N 499.637 2.086 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3CC)n2CCC2(O)CCOCC2)CC1 1740708004 YYHJAQJFWGREGV-UHFFFAOYSA-N 495.624 2.317 30 10 JEEE C=C(Br)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1740740626 HFBVBKKXICFGEG-UHFFFAOYSA-N 486.374 2.300 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1740799635 QNIHJKNKABPWDB-GUDVDZBRSA-N 474.606 2.262 30 10 JEEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1740880324 FDFKMRSVRPULED-ROUUACIJSA-N 462.595 2.456 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)cc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1740978606 ZFQMIHDRTHLNCQ-KSHDEOPHSA-N 464.526 2.261 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1740990079 HXBWMSXTRVINQM-PKOBYXMFSA-N 487.582 2.441 30 10 JEEE CC(C)CCN(CCC#N)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1COCCO1 1741516089 GJFVNMHWJLCFSR-SFHVURJKSA-N 465.558 2.374 30 10 JEEE CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCO[C@H]2C(C)C)CC1 1746511170 CPOPXVAUZFZEBE-GMAHTHKFSA-N 465.602 2.136 30 10 JEEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(F)c(C)c1)[C@H]1CCS(=O)(=O)C1 1748804494 IKHUFMDVBZPCPM-WMZHIEFXSA-N 476.574 2.053 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCc1ccn(C)n1 1748907283 QOTTXXHFOSEWDU-PUZFROQSSA-N 451.575 2.488 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CCc1cc(Br)ccc1F 1748959917 AOUPDWTZCASINF-KRWDZBQOSA-N 464.339 2.460 30 10 JEEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCN1CCC[C@@H](C)C1 1748962564 LEYJRARCCHGIME-OAQYLSRUSA-N 466.634 2.270 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCCCO3)n2Cc2c(C)nn(C)c2C)n1 1748971694 YYMKUPLIWNRWDM-QFIPXVFZSA-N 466.590 2.401 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1749120821 HUJASZIEBSBZQK-PZJWPPBQSA-N 475.615 2.407 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(F)cc3)n2Cc2ccc(C(N)=O)nc2)C1 1749718800 IQUSYNXBKAFTTP-LJQANCHMSA-N 452.490 2.320 30 10 JEEE N#C[C@]1(F)CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCNC(=O)c2cc[nH]n2)C1 1750379005 AJHXYLUOHAMQQH-HXUWFJFHSA-N 460.420 2.142 30 10 JEEE C[C@H](CC#N)N(C)c1nnc(COc2ccc(Br)cc2)n1CCN1CCCS1(=O)=O 1751097289 HSSYSPATGAYMKV-OAHLLOKOSA-N 497.419 2.393 30 10 JEEE C[C@H]1C[C@H](C)CN(c2nnc(-c3cccc(C#N)c3)n2CCNS(=O)(=O)Cc2ccon2)C1 1752003158 HSSMFTKEFIURDO-IRXDYDNUSA-N 469.571 2.407 30 10 JEEE C[C@H]1CN(CCCn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H](C(N)=O)C2)CCCO1 1752397307 DKOSYPPQVCTDGQ-RXVVDRJESA-N 451.575 2.019 30 10 JEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(CC(=O)N(C)C)CC1 1760147435 RKTGMCGHXCKPGD-UHFFFAOYSA-N 486.642 2.304 30 10 JEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCCn1ccnc1C 1760173056 IENKYXNYIYQHKB-UHFFFAOYSA-N 455.588 2.250 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@H](C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1760180414 FBHCQJUBRHSGNR-PTLVVNQVSA-N 472.611 2.361 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1ccc(F)c(COC)c1)[C@@H]1CCS(=O)(=O)C1 1760189468 PIYQEKLOXWSWTH-HXUWFJFHSA-N 469.542 2.301 30 10 JEEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccccc1CN1CC[C@H](O)C1 1760196085 KMFCVKOQRZPXHE-IGKIAQTJSA-N 477.609 2.006 30 10 JEEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1CCCN1CCCCC1=O 1760223711 JGISQHYKMTULJH-UHFFFAOYSA-N 452.584 2.135 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(N2CCCCC2)CC1 1760316298 PJQYHVBXJWQQRX-SBHAEUEKSA-N 480.679 2.324 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H](C)CC(N)=O 1760322326 QZMPXJIAJRCZRP-MLYOOKFZSA-N 492.621 2.268 30 10 JEEE C=C(C)Cn1c(Cc2ccsc2)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 1760349891 GPYVZNHUQSXVBY-UHFFFAOYSA-N 453.634 2.383 30 10 JEEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(C)C)CC1 1760357128 FEFXBHAVBSSAHK-LJQANCHMSA-N 455.625 2.076 30 10 JEEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](Cc2ccccc2)C1 1760357476 JRMUNOSBXIEOSW-FGZHOGPDSA-N 489.642 2.273 30 10 JEEE C=CCN(CCc1ccco1)c1nnc(CN2CCCC2=O)n1C[C@H]1CCCS(=O)(=O)C1 1760501630 XFVGIUIXBAUHQQ-GOSISDBHSA-N 461.588 2.053 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1c1cccc(OC)c1 1760554759 LYSRZFJKERBPGH-AZUAARDMSA-N 494.639 2.131 30 10 JEEE C=CCSCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1760559261 FMDZQWCOLCEYPF-DOTOQJQBSA-N 491.017 2.138 30 10 JEEE CC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)CCS1 1763580404 BXPQIEUFNFOOKR-LJQANCHMSA-N 476.628 2.096 30 10 JEEE CO[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1)C(C)C 1768075373 CWBILWZKALHWAZ-AHRSYUTCSA-N 476.603 2.009 30 10 JEEE COc1ccc(CCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H](C(C)C)N2CCOCC2)cc1 1770137018 GJCCDMSJQZCKEX-GOTSBHOMSA-N 468.602 2.157 30 10 JEEE COc1cc(C)c(C)cc1S(=O)(=O)Nc1c(C#N)nnn1-c1ccc(N2CCN(C)CC2)cc1 1870099309 YWHLIBMBHZWAMK-UHFFFAOYSA-N 481.582 2.317 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)N(C)Cc2ccccc2)cn1CCN1CCOCC1 1870508647 ZLVADTOOLBGCDB-UHFFFAOYSA-N 494.636 2.392 30 10 JEEE C#CCOc1cn(Cc2ccc(S(N)(=O)=O)cc2)c(CN2CCc3ccccc3C2)cc1=O 1870560233 NCOVAYPFXOHLBN-UHFFFAOYSA-N 463.559 2.114 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)Nc2ccccc2C(=O)OC)cn1C[C@H](C)O 1870741874 HNAPASLKYYBKLV-SFHVURJKSA-N 469.538 2.207 30 10 JEEE CCCc1nnc(SCC(N)=O)n1/N=C/c1ccc(OCC(=O)N(CC)CC)c(OCC)c1 1874506573 KBVRQCWDRRTWMI-ZMOGYAJESA-N 476.603 2.336 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)NC[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 2060134702 CEUKFTPXZGJIMI-AOMKIAJQSA-N 454.568 2.452 30 10 JEEE CN(C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2185152460 WRJFEWUZFCPQQN-IBGZPJMESA-N 461.412 2.447 30 10 JEEE CC(C)(C)OC(=O)NC/C=C/CNS(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2255773060 KEGBXYKTHJVPRV-CMDGGOBGSA-N 452.382 2.345 30 10 JEEE Cc1sc(C(=O)NC[C@](C)(CO)NC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2255843614 JIKDAQKSPYRTHV-OAQYLSRUSA-N 454.398 2.361 30 10 JEEE CN(C)CCN(CC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)OC(C)(C)C 2256612473 DYOWUGOIMCCULA-UHFFFAOYSA-N 454.402 2.180 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCO[C@@H]1C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)s1 2256626863 OVQGXJHIDAPJMR-HOCLYGCPSA-N 452.382 2.346 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)[C@@](C)(CO)C1 2267010474 VCJTUBMXZUQMAX-JOCHJYFZSA-N 450.341 2.023 30 10 JEEE CC(C)(C)OC(=O)NCCO[C@@H]1CCN(C(=O)c2occc2B2OC(C)(C)C(C)(C)O2)C1 2267185312 TVSCKQYJXWGSON-OAHLLOKOSA-N 450.341 2.335 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H]1CNS(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2267377063 BGFCBTLKYHKJAQ-HZPDHXFCSA-N 466.409 2.425 30 10 JEEE CC(C)N(CCN(C)C(=O)OC(C)(C)C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2267491518 FEQIARCMNKDECW-UHFFFAOYSA-N 450.389 2.437 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)Nc1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2268632322 IXNJFJDBVTXAIN-RHSMWYFYSA-N 450.316 2.434 30 10 JEEE CC(C)(C)OC(=O)N1CC2(C1)CS(=O)(=O)CCN2C(=O)C1(B2OC(C)(C)C(C)(C)O2)CCC1 2281797480 VZRSVXMAJYABMS-UHFFFAOYSA-N 484.424 2.249 30 10 JEEE Cc1cnc(C(=O)NC[C@H]2CCCCN2C(=O)C(F)(F)F)c(B2OC(C)(C)C(C)(C)O2)c1 2281950560 XUQHLRBRNGYXSJ-CQSZACIVSA-N 455.286 2.362 30 10 JEEE CC[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2CN1C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2281991330 YRQMTGIVVZYPBC-YQQAZPJKSA-N 460.384 2.426 30 10 JEEE Cn1cc(C(=O)N2CC=CCC23CN(C(=O)OC(C)(C)C)C3)nc1B1OC(C)(C)C(C)(C)O1 2282034503 IURUMQCLNNSWJX-UHFFFAOYSA-N 458.368 2.111 30 10 JEEE Cn1cc(C(=O)NC[C@@H]2C[C@H](NC(=O)OC(C)(C)C)C2(C)C)nc1B1OC(C)(C)C(C)(C)O1 2282037391 VCKMKRFVVVLSMO-HOCLYGCPSA-N 462.400 2.389 30 10 JEEE C[C@@H]1C[C@@H](NC(=O)C(F)(F)F)CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2282342616 JUQSCLDKJOFRIQ-UKRRQHHQSA-N 476.326 2.063 30 10 JEEE C[C@@H]1CN(C(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)C[C@@H](C)C1NC(=O)OC(C)(C)C 2282543782 LTJZIEWUEJYGKS-HUUCEWRRSA-N 462.400 2.341 30 10 JEEE Cc1cc(C(=O)N[C@@H]2CO[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)oc1B1OC(C)(C)C(C)(C)O1 2282585772 PYEQEAXNIUQVAJ-UXLLHSPISA-N 462.352 2.251 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(C)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2282589451 NYLFPDSYFNLMTJ-INIZCTEOSA-N 462.400 2.357 30 10 JEEE CN(CCCCCCNC(=O)OC(C)(C)C)C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2282620686 INFHEIQSXDPSJA-UHFFFAOYSA-N 465.404 2.271 30 10 JEEE C[C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)N(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)C1 2282629044 REESBVUXQXPAOV-CVEARBPZSA-N 462.400 2.485 30 10 JEEE CC1(C)OB(c2c[nH]c(C(=O)N3CC[C@]4(CN(Cc5ccccc5)CCO4)C3)c2)OC1(C)C 2282638980 URNQHQMUFMDMLT-VWLOTQADSA-N 451.376 2.431 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@](F)(CNC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2282648566 PQCIZGGNIXZYIT-XLOAEROZSA-N 464.347 2.149 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](CNC(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)C[C@H]1O 2282715754 KYEFSMUSJUAFKF-KFKAGJAMSA-N 460.380 2.380 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)N1Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C1 2283953555 UYJNAMFGDZZMAY-OALUTQOASA-N 458.364 2.198 30 10 JEEE C[C@H](OCc1ccccc1)[C@@H](NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1F)C(=O)O 2284474953 QPJWUJNHPCAUEG-KBXCAEBGSA-N 458.295 2.308 30 10 JEEE Cc1nc2c(C)cccn2c1C(O)=C1C(=O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccncc1 2296936413 QQNDJIVIIRCNFT-OAQYLSRUSA-N 461.522 2.100 30 10 JEEE C=CC1(N[C@]2(C(=O)O)[C@@H](NC(=O)OC(C)(C)C)COC2(C)C)CN(C(=O)OC(C)(C)C)C1 2326241769 OGADVBUFSZPFLP-FPTDNZKUSA-N 455.552 2.277 30 10 JEEE C=C(CS(=O)(=O)N[C@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)OC1)B1OC(C)(C)C(C)(C)O1 2337256853 AQKDARLLLZKQIH-INIZCTEOSA-N 472.413 2.262 30 10 JEEE C[C@@H](NC(=O)OC(C)(C)C)C1CCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)CC1 2362357945 UBYSOYHOAWLIIR-OAHLLOKOSA-N 462.400 2.485 30 10 JEEE CCOCCCn1c(=C(C#N)C(=O)c2cccc(OC)c2)sc(=Cc2cnn3ccccc23)c1=O 729670451 GIBQBQUHPGASII-UHFFFAOYSA-N 488.569 2.379 30 10 JEEE C=CCNC(=O)CN1CCN(C(=O)c2cnn(-c3ncccc3Cl)c2C(F)(F)Cl)CC1 730999823 NCEFWBNXVUYWGM-UHFFFAOYSA-N 473.311 2.269 30 10 JEEE C#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC(O)(C(=O)O)CC1 757403801 VPQXVZBQFDALEB-QFIPXVFZSA-N 462.502 2.355 30 10 JEEE CC[C@H](C)NC(=O)CSc1n[nH]c(NN=Cc2ccc(OC)c(OCn3cccn3)c2)n1 1084095402 NGKYLGWKUDAFKY-AWEZNQCLSA-N 458.548 2.499 30 10 JEEE COc1cccc(C=NNc2nc(SCC(=O)Nc3ccc4c(c3)OCCO4)n[nH]2)c1O 1084244004 BVNJCFLRHMTUEJ-UHFFFAOYSA-N 456.484 2.467 30 10 JEEE C#CCN1CCC(NC(=O)NCc2ccnc(N3CCN(c4ccc(F)cc4)CC3)c2)CC1 1220569074 HVIZEBMNMYSEES-UHFFFAOYSA-N 450.562 2.444 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1CC(C)(C)c1ccccc1F)[C@H]1CCS(=O)(=O)C1 1286389532 LRGYIYHACMQMTF-KRWDZBQOSA-N 468.558 2.479 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCO[C@H]1CCOC1 1286420232 AMPWEPNMRUXMRJ-FQEVSTJZSA-N 456.568 2.007 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CC[C@](C)(O)c2ccccc2)CC1 1286485149 WHAJWFPDFLMBGR-VWLOTQADSA-N 478.622 2.323 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2OC)n1CCCn1cc(CO)nn1 1286528442 ARVBZEFEDKONKT-HSZRJFAPSA-N 451.531 2.032 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)C1CCC(NC(C)=O)CC1 1286549784 WNNCNOWGPUGUNB-GKYDQMIMSA-N 458.607 2.379 30 10 JEEE C=C(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(S(=O)(=O)CC)CC1 1286593069 HWFINTYCAPREAS-UHFFFAOYSA-N 459.620 2.432 30 10 JEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(N(C)C)CCCCC1)C1CC1 1286736374 DLMXGBCFEMZZHZ-LJQANCHMSA-N 466.652 2.030 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H](NC(C)=O)C1 1286815912 BBDWCMCAWFUBGR-SJLPKXTDSA-N 479.578 2.263 30 10 JEEE CC(=O)Nc1ccc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(NC(C)=O)CC2)cn1 1286896162 IAEOPZXRBQTTJG-UHFFFAOYSA-N 488.552 2.235 30 10 JEEE C[C@H]1OCC[C@@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(C)(C)C)CC1 1291322991 DMAHAYLVYXZFTN-HOYKHHGWSA-N 454.575 2.189 30 10 JEEE CCN(CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1)CCC(F)(F)F 1295826863 DNLYFOKAOHUNAX-GOSISDBHSA-N 479.507 2.042 30 10 JEEE COc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)cc1Cl 1300185978 ABZFPRCIESZMKZ-CYBMUJFWSA-N 452.968 2.339 30 10 JEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCCC(F)(F)C1)[C@@H]1CCS(=O)(=O)C1 1300479393 NJYHAXSZPIIZML-ZWKOTPCHSA-N 483.585 2.356 30 10 JEEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CC1(C)C)[C@@H]1CCS(=O)(=O)C1 1300484851 UWRBCSGSDFQGLO-QZTJIDSGSA-N 476.624 2.021 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@@](C)(O)c1ccco1)[C@H]1CCS(=O)(=O)C1 1300504157 KIKNDUIFLBJYBS-GAJHUEQPSA-N 488.541 2.124 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(N2CCOCC2)c(F)c1 1300558845 DUGBGIJSDUWSMI-AREMUKBSSA-N 481.572 2.417 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2Cc2snnc2C)CC1 1300725481 AHYFRGIAFMEPBS-UHFFFAOYSA-N 471.537 2.321 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccc2C)nnc1N1CCN(CCOC)C(=O)C1 1300890510 VKXAPTYKGNLIPV-URXFXBBRSA-N 453.587 2.454 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@]2(N(C)C)CCC[C@H](C)C2)CC1 1301086502 KDXMKCYVQYSPLC-JTAQYXEDSA-N 480.679 2.278 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2C[C@](C)(O)CCOC)c1 1358902051 DBCZLYPTDRWCSB-YADARESESA-N 455.559 2.016 30 10 JEEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C[C@H]2CCOC2)CC1 1359052998 XQXQGPVUOBYHDD-LJQANCHMSA-N 471.627 2.487 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2ccccc2C)C1 1359056889 NGOGDVDTHGFOKU-QUCCMNQESA-N 460.625 2.433 30 10 JEEE C#CCSCCn1c(Cc2ccsc2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1359059220 FRLDSBMCUMOYFR-SFHVURJKSA-N 458.613 2.063 30 10 JEEE C#CCSCCn1c(N2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)nnc1[C@@]1(OCC)CCOC1 1359061682 JONKFYRSABADKJ-XHIHJMKYSA-N 450.605 2.069 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1CN(C(=O)OC(C)(C)C)C1 1359107591 PYQQKESIWGMJQP-OAHLLOKOSA-N 456.613 2.158 30 10 JEEE C=C(C)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCC(CNS(C)(=O)=O)CC1 1359121019 SEOPSEZMULHHDA-UHFFFAOYSA-N 499.641 2.407 30 10 JEEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1359130677 SVRXENRDBDTLGL-HXUWFJFHSA-N 469.634 2.446 30 10 JEEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C)(c2nc(C)no2)CC1 1359198352 OSTJITYVWIGRCF-HNNXBMFYSA-N 451.597 2.494 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC(NC(=O)Nc2ccccc2)CC1 1359297495 SMZXMUIHUZQZMW-UHFFFAOYSA-N 460.542 2.433 30 10 JEEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1359303464 PKLFZCGAONTQBA-SFHVURJKSA-N 470.574 2.305 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1359304194 PUMDSZLSABFSGO-DVECYGJZSA-N 455.559 2.160 30 10 JEEE CC(=O)N(C)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC2(O)CCC2)CC1 1359354222 DVXREAZNMDTUGI-UHFFFAOYSA-N 452.559 2.481 30 10 JEEE C=CCn1c(SCC(=O)NC(C)(C)CNS(C)(=O)=O)nnc1-c1ccc(Cl)cc1 1439508809 QOXFETPFULYMIS-UHFFFAOYSA-N 458.009 2.321 30 10 JEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC(Cc2noc(C)n2)CC1 1456062370 GFSSQCIUMBSLOL-SFHVURJKSA-N 459.572 2.457 30 10 JEEE COCC[S@](=O)Cc1cccc(NC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c1 1476161683 FZWPZUZROXHEKY-MCGGYZEXSA-N 450.561 2.462 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1cccnc1N1CCOCC1 1507522435 VSRRKPWCFPUFPL-SFHVURJKSA-N 480.594 2.086 30 10 JEEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1Cc1ccnc(-n2cccn2)c1 1507672652 GOVQFFDEOZOMLE-UHFFFAOYSA-N 470.562 2.362 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H](C)N(CC)CC)CC1 1507729617 IZGBMOYSNMDVHS-SFTDATJTSA-N 489.665 2.072 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC(C)(C)OC)CC1 1507734843 ZWUBVOZTVVLPQT-UHFFFAOYSA-N 455.559 2.353 30 10 JEEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1507779782 RHDCCBVBWQYNOY-OLZOCXBDSA-N 484.317 2.416 30 10 JEEE C=C(C)COCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@H](C(=O)NC)C1 1507836000 SVAUMDPBCPNXPW-SFHVURJKSA-N 474.993 2.417 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1508078049 SOSUDUCEJQMTRC-XMMPIXPASA-N 495.672 2.041 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1508095090 SFVMYODHGQYOJO-KRWDZBQOSA-N 469.521 2.449 30 10 JEEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1508169547 KKVZWNHFYRAZRO-BZSNNMDCSA-N 458.650 2.325 30 10 JEEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1539078733 GCXHTLYDMRRILN-HXUWFJFHSA-N 469.659 2.289 30 10 JEEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 1539078905 IAWBOZFQBHJDRR-QFIPXVFZSA-N 450.587 2.060 30 10 JEEE C#CCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1539109918 ZJQSWQLBWDVIGN-LJQANCHMSA-N 466.586 2.166 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccccc1OCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1539222217 UPSLXBYAKIZKDF-ROUUACIJSA-N 498.527 2.398 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H]1CCCCS1(=O)=O 1539306300 GCJZDJGPESYOIG-LJQANCHMSA-N 456.568 2.393 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H](C)CN2CCCC2)CC1 1539428706 VXODBFUDNJLNBH-FQEVSTJZSA-N 484.048 2.349 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2Cc2ccccc2-c2cnn(C)c2)CC1 1539430224 HLEDVSDEQYIUPR-FQEVSTJZSA-N 463.586 2.206 30 10 JEEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2CC2(OCCOC)CCOCC2)CC1 1539452003 IDJIBINTWSWVDE-UHFFFAOYSA-N 489.567 2.115 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2CCNC(=O)c2cccs2)CC1 1539453100 CKEQQIDVPZFBLM-UHFFFAOYSA-N 464.595 2.124 30 10 JEEE C=CC1CCN(c2nnc(-c3cccc(C)n3)n2Cc2ccc(C(=O)NCC(N)=O)cc2)CC1 1539885206 YSMQYJFZJOGFAW-UHFFFAOYSA-N 459.554 2.314 30 10 JEEE C=CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CC(=O)N1CCOCC1 1539968094 WOFAXSDPNATJJT-IBGZPJMESA-N 492.621 2.238 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C[C@H]2CCOC2)CC1 1540863543 YDZPRXNJPVAWCP-FGZHOGPDSA-N 482.629 2.496 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCc2cc(OCC)c(OCC)cc2C1 1540871137 FFNQBWROWOMDOP-SFHVURJKSA-N 455.559 2.444 30 10 JEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(CC(=O)NC2CCCC2)CC1 1540874710 PHRYULZNOFNHOL-UHFFFAOYSA-N 482.633 2.107 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC(C)(C#N)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1540876450 RICRCUBXBWVYOP-CALCHBBNSA-N 457.579 2.481 30 10 JEEE C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(O)(C(F)(F)F)CC1)N1CCOCC1 1541840143 DNXFQRFIIAMVGX-INIZCTEOSA-N 464.492 2.431 30 10 JEEE Cc1cc(C(=O)N2CCC3(CC2)CN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@@H]3C(N)=O)nn1C 1548377486 NAWBSAFPJLNIGP-GOSISDBHSA-N 474.487 2.463 30 10 JEEE Cc1nsc(N2CCN(C(=O)c3cc(S(=O)(=O)N(C)C)ccc3Cl)CC2)c1C#N 1584061317 BFTWEOHHVPIBHC-UHFFFAOYSA-N 453.977 2.189 30 10 JEEE C#CCN(c1nnc(-c2ccc(Br)s2)n1CCCOC)[C@H]1CCS(=O)(=O)C1 1588040961 STQMWIPENDNJTJ-ZDUSSCGKSA-N 473.418 2.432 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCCOC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1588045047 GEDBRXLQLDLVJG-NRFANRHFSA-N 483.594 2.029 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCC[C@@H](O)C1 1588472389 FKUNKAREYUBFQE-ILZDJORESA-N 463.579 2.218 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(=C)Br 1588593408 ADBOAMXJTQNXEI-UHFFFAOYSA-N 453.362 2.343 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccccc2OC2CCCC2)CC1 1588742263 POVNWKUGYUYIRJ-IBGZPJMESA-N 486.642 2.013 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCCN2CCC(O)CC2)CC1 1588750025 BFSFREYHJAHPTA-HXUWFJFHSA-N 470.593 2.159 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCc2csc(CC)n2)CC1 1588751760 MQVMFJXEFDWHNT-HSZRJFAPSA-N 458.632 2.336 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccc(C(=O)N(CC)CC)cc2)CC1 1588752824 WXBGSYGQQBEKLQ-MHZLTWQESA-N 494.640 2.216 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC[S@@](=O)CC)CC1 1588890922 IOGGGOIGIJVXSQ-JSRFKQPZSA-N 475.590 2.292 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCCN(C)C(C)C)CC1 1588908849 XDXOFFIPIINYFS-UHFFFAOYSA-N 466.586 2.370 30 10 JEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N(C)C[C@@H]1CN(CC)c2ccccc2O1 1589060698 WWFAYNWPTNXHEG-QZTJIDSGSA-N 454.600 2.319 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1CC1(S(C)(=O)=O)CCC1 1589242873 NMZJDJOMCAGCES-HXUWFJFHSA-N 461.613 2.229 30 10 JEEE C=C(C)CN(CC)c1nnc(Cc2cn3ccccc3n2)n1CCN/C(O)=C1\N=CC=CC1=O 1589675518 DXJUQOXSPCVFGQ-GHVJWSGMSA-N 460.542 2.445 30 10 JEEE C=C(Cl)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC(S(C)(=O)=O)CC1 1593908081 GNWLQQNMOGBBLR-UHFFFAOYSA-N 493.077 2.409 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(F)cc2F)CC1 1594241498 SARXLULECSMYLS-IBGZPJMESA-N 467.542 2.340 30 10 JEEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCc2cc(OC)c(OC)cc2CC1 1594807802 ZQIHRLMCPFPEJE-LJQANCHMSA-N 455.559 2.444 30 10 JEEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCSCC2)cc1 1594857963 UVTGARYAQFGGGT-INIZCTEOSA-N 450.634 2.112 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1n[nH]c(C)n1 1595134362 YYCDMKILCWYYBU-QGZVFWFLSA-N 459.551 2.181 30 10 JEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(=O)c2ccccc2)CC1 1595883949 DQABTIZKFLXILM-HXUWFJFHSA-N 489.667 2.452 30 10 JEEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCCn2ccnc2C)CC1 1596249636 GDEOTHPDIMZEKW-UHFFFAOYSA-N 462.558 2.383 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1Cc1ccnc(N2CCCCC2)c1 1611658619 GRBOZXIPNQBNAX-SJORKVTESA-N 460.608 2.060 30 10 JEEE COCCN1C[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(O)(C(F)(F)F)CC2)CC1=O 1619927432 GRQYZVFJHOYQNT-KRWDZBQOSA-N 492.502 2.205 30 10 JEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc(CN2CCC[C@H](C(N)=O)C2)c1 1628755429 WDSCULYCLPCNRV-SFTDATJTSA-N 456.587 2.307 30 10 JEEE C#CCN(C(=O)[C@@H](Cc1cnc[nH]1)NC(=O)CC(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 1634818886 XDTJPCGZGZUQIR-HXUWFJFHSA-N 459.591 2.344 30 10 JEEE Cc1nn(-c2ccccc2)c(C)c1[C@H](CNS(=O)(=O)N1CCO[C@@H](C#N)C1)C(F)(F)F 1666730834 BUKQZPYBNWFDME-IRXDYDNUSA-N 457.478 2.194 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCc1ccc(S(C)(=O)=O)cc1 1689848011 MTVNUZOOBCMWKA-OAHLLOKOSA-N 455.540 2.110 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1OCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1689982580 QHRSSYACBINGMH-NVXWUHKLSA-N 496.431 2.478 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCS(=O)(=O)NC(C)C 1690035887 NHEHBWPZCMLEKE-UHFFFAOYSA-N 465.583 2.126 30 10 JEEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCCCCC2)nc1 1690059822 YPFRFFSUVQERDK-GOSISDBHSA-N 459.620 2.172 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CC2CC2)CC1 1690137494 BAUUXWNGHFSMOI-UHFFFAOYSA-N 453.543 2.347 30 10 JEEE C#CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1690186179 LUUGITWQJPJAGQ-ROUUACIJSA-N 489.646 2.273 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(CC(=O)NCC)CC1 1690254890 KBQZQRRFZUXBJI-OHUMZHCVSA-N 488.677 2.436 30 10 JEEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1690302433 FDGXHBJZADGQGL-IBGZPJMESA-N 475.615 2.294 30 10 JEEE C=C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@H]2CCCCS2(=O)=O)CC1 1690367212 GLHWLGACTJXJCV-FQEVSTJZSA-N 493.655 2.319 30 10 JEEE C=CCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1690640812 HRINORHJROEQFD-IBGZPJMESA-N 492.628 2.288 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 1690665854 ROVNUEASKJHSIJ-AWEZNQCLSA-N 489.989 2.141 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2Cc2ccc(C#N)o2)C1 1690687748 IKZRKFMVVVCLBP-LJQANCHMSA-N 482.566 2.490 30 10 JEEE CC(C)CN1CCC[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCNS(C)(=O)=O)C1 1692418033 BRKJOKPKBKCMRZ-FQEVSTJZSA-N 473.647 2.170 30 10 JEEE COCC[C@](C)(O)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1697922465 HFVWTIYTZADIIT-VWLOTQADSA-N 477.569 2.334 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CC[C@](C)(CC)O1)[C@H]1CCS(=O)(=O)C1 1705558545 APBWRNJVZDUQGH-YDHSSHFGSA-N 479.647 2.171 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1Cc1cnn(CCOC)c1)[C@@H]1CCS(=O)(=O)C1 1705562614 GPQKEKHGMCGDAL-HXUWFJFHSA-N 489.001 2.116 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2CCCn2cnnn2)CC1 1705635852 NLMAJWSCJHJTHF-UHFFFAOYSA-N 490.797 2.193 30 10 JEEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC2(CC1)CNC(=O)C2 1705655755 QMBPGPULHGCGFR-UHFFFAOYSA-N 455.584 2.435 30 10 JEEE C=C(Cl)Cn1c(COc2ccc(OC)cc2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1705758886 DMGUAGNQJUMDDD-UHFFFAOYSA-N 462.982 2.265 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cc(COC(C)(C)C)on2)CC1 1705768984 FWWLJZIOLYEANR-IBGZPJMESA-N 494.618 2.119 30 10 JEEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCn1cc([C@@H]2CCOC2)cn1 1705836950 LIPQQZQZSUDBCP-LJQANCHMSA-N 485.614 2.218 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2cccc(Br)c2C1 1705934350 JKOGVCBMLZIDPL-KRWDZBQOSA-N 494.415 2.155 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CC[C@@](O)(c2ccc(F)cc2)C1 1705935653 YROAHBHCGXLSON-QHCPKHFHSA-N 471.558 2.102 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1CCN(C(=O)OC)CC1 1722294666 RSQGIZPFGLZREQ-INIZCTEOSA-N 463.542 2.128 30 10 JEEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC(N2CCNC2=O)CC1 1722324553 UIYJKFGMQCTKKO-UHFFFAOYSA-N 469.977 2.269 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1CCCc1cc(OC)ccc1OC)[C@H]1CCS(=O)(=O)C1 1722362960 XOGSXUGQGWRVIA-IBGZPJMESA-N 496.593 2.012 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@@H](C)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1722364699 ATONBOZZWINKPD-IAGOWNOFSA-N 467.636 2.407 30 10 JEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(F)(F)C1(OC)CCOCC1 1722384121 UHXPUARKVZJAJP-UHFFFAOYSA-N 499.566 2.356 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc([C@H](C)O)cc2)CC1 1722581592 JQMDIJPKIIKLBQ-LAUBAEHRSA-N 475.615 2.115 30 10 JEEE C=CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](S(C)(=O)=O)C1)c1ccccc1 1722593905 CGBODXJWSPDSKQ-RLLQIKCJSA-N 495.671 2.262 30 10 JEEE CC(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2nnc(C)s2)CC1 1722826449 DDGNGEAVQLHUMK-UHFFFAOYSA-N 452.544 2.042 30 10 JEEE CCO[C@]1(c2nnc(N3CCN(c4c(C#N)c(C)nn4C)CC3)n2CCC(C)(F)F)CCOC1 1728814228 FSAWGCQDUUQMJE-JOCHJYFZSA-N 478.548 2.216 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)cc1OCCCOC 1740553684 UBPQKPGXNIDCRP-QUCCMNQESA-N 460.600 2.410 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccc(C(N)=O)nc1 1740562236 JWNLMTJNUBITRN-OIISXLGYSA-N 453.547 2.049 30 10 JEEE C#CCCCCn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1740565895 KSKIBWMVSDGHSK-UHFFFAOYSA-N 471.005 2.383 30 10 JEEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CCOc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1740616439 BBTMIRZZKYCPHA-HYBUGGRVSA-N 488.610 2.024 30 10 JEEE C#CCN(c1nnc(C)n1C[C@@H](c1cccc(OC)c1)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1740617459 RJYDAFHXDRDRAS-UNMCSNQZSA-N 457.600 2.059 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1cc(COC(C)(C)C)on1)[C@@H]1CCS(=O)(=O)C1 1740625831 QQWBTIGMVSPYQB-HXUWFJFHSA-N 498.609 2.242 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1CCc1ccc(OCC(F)(F)F)nc1 1740653512 OQUNGFNZOUCGGT-KRWDZBQOSA-N 460.460 2.271 30 10 JEEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1Cc1cccc(NC(=O)OC)c1 1740688794 VFIJHNDDRMTABI-UHFFFAOYSA-N 451.531 2.452 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCOC3)n2CC2C[C@@H](C)O[C@H](C)C2)n1 1740689297 UVWRYZLVAOWCCK-SFHLNBCPSA-N 456.591 2.468 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2Cc2ccc(OCCN(C)C)cc2)CC1 1740695248 KGVLUHHINCRAPP-UHFFFAOYSA-N 459.598 2.392 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCCOC(C)C)CC1 1740696400 SXDNFLOXGLMIQR-FQEVSTJZSA-N 476.622 2.157 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(C)n(C)c2=O)CC1 1740702048 VHYCATBJRORIQD-UHFFFAOYSA-N 479.972 2.015 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2OC)nnc1N1CCC(OCC(N)=O)CC1 1740756501 HWBKZNOFCBDGHH-JTSKRJEESA-N 455.559 2.406 30 10 JEEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1740786695 METXJONJHDQRIB-FDDCHVKYSA-N 456.547 2.292 30 10 JEEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1740786697 METXJONJHDQRIB-MBSDFSHPSA-N 456.547 2.292 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1740850235 DKNRJWUZLDJRRS-OALUTQOASA-N 465.664 2.472 30 10 JEEE C=CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1740858824 AWGDLJRVMXKBIS-LJQANCHMSA-N 486.598 2.178 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@H](n2cncn2)C1 1740954365 KFMYQGMYUKRCCM-KRWDZBQOSA-N 471.363 2.443 30 10 JEEE C=CCNC(=O)Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1740962892 RMPTZWUXDXHZBB-MJGOQNOKSA-N 487.004 2.269 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 1740990936 KCMYRVWIAUXQRC-HXUWFJFHSA-N 499.703 2.367 30 10 JEEE C#CCCCCn1c(N2CCN(c3nccnc3C#N)C[C@H]2C)nnc1[C@@]1(OCC)CCOC1 1748731192 WUTGXGZQWVBGIR-NTKDMRAZSA-N 464.574 2.110 30 10 JEEE C#CCCCn1c(Cc2ccccc2F)nnc1N1CCN(Cc2nc(COC)no2)CC1 1748756426 MDXFQZJVCJIGQW-UHFFFAOYSA-N 453.522 2.273 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@@H]1CC(F)(F)CO1)[C@@H]1CCS(=O)(=O)C1 1748819456 OYZZKGUEEAOTBB-MOPGFXCFSA-N 464.538 2.228 30 10 JEEE C#CCN(CC#C)c1nnc(CSc2ccccc2OC)n1C[C@@H]1CCCS(=O)(=O)C1 1748858800 IGISXBILBISIBW-SFHVURJKSA-N 458.609 2.477 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)N1CCc2ccccc21 1748891554 ABYCSJNMCCJLJK-FPOVZHCZSA-N 451.596 2.094 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CN(C)C(C)C)CC1 1749118360 FVHIXZWVKMYDJD-JBACZVJFSA-N 482.695 2.426 30 10 JEEE C=C(C)Cn1c(-c2noc3c2COCC3)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1749187333 CBYKXUHNMLTBMO-OAHLLOKOSA-N 460.535 2.312 30 10 JEEE C=C(C)Cn1c(Cc2ccccc2OC)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1749196484 PVLGFTARZNBUJK-UGKGYDQZSA-N 452.603 2.442 30 10 JEEE C=CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1749427347 PVFWPUFUMZROPH-UHFFFAOYSA-N 488.662 2.326 30 10 JEEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(c2cnn(C)c2)CC1 1749609705 ZQUKUKZICVCCFP-UHFFFAOYSA-N 455.588 2.499 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1749655429 KQYZTVWLKDHEHO-HSZRJFAPSA-N 476.528 2.150 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2CCOC[C@H]2OC)C1 1749696802 FGNCTXUAURUXCF-VAWZGJIGSA-N 450.580 2.152 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(NC(N)=O)cc2)C1 1749721638 QADINJSIJPGWAC-SXLOBPIMSA-N 456.547 2.322 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)CC1COC(C)(C)OC1 1749724050 GSKHAPAFUGYBPA-UHFFFAOYSA-N 479.559 2.289 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@]1(N2CCOCC2)CCSC1 1750078380 FYQUQZXNFSNZMV-JTSKRJEESA-N 489.671 2.073 30 10 JEEE C#CCCCn1c(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1760159391 FMVCZOZYJGKWOL-HBMCJLEFSA-N 499.660 2.205 30 10 JEEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1=CCCCC1)[C@H]1CCS(=O)(=O)C1 1760181685 ZYDKPAZKWUKSTG-NZQKXSOJSA-N 462.616 2.446 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CC1(O)CC(OCC)C1)[C@H]1CCS(=O)(=O)C1 1760183385 OSLSASPAVHDLDW-PGFLUOATSA-N 479.002 2.155 30 10 JEEE C#CCN(c1nnc(-c2ccccc2F)n1CCN1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1760183620 CGPKQSOXVJLYBH-IBGZPJMESA-N 459.591 2.443 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1CC[S@@](=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1760190658 TYPVHZWOKOLSPH-AYLZSAKASA-N 492.667 2.051 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1nc(C(C)C)cs1)[C@H]1CCS(=O)(=O)C1 1760191089 AGUNPYXPTRUPIK-SFHVURJKSA-N 487.655 2.395 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1C[C@@H](C)COC)[C@@H]1CCS(=O)(=O)C1 1760191093 AHDJUFVSMPPLEP-YLJYHZDGSA-N 460.600 2.383 30 10 JEEE C#CCN(c1nnc(COCC)n1C[C@@H](C)Oc1ccccc1F)[C@H]1CCS(=O)(=O)C1 1760193136 UUAUSVYOCRFKQZ-SJORKVTESA-N 450.536 2.048 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(Br)cc1 1760205791 JTUCAXLQZDVYME-QGZVFWFLSA-N 461.385 2.258 30 10 JEEE C#CCN1CCN(c2nnc(CSc3ccccc3OC)n2CC(C)(C)C(=O)NC)CC1 1760263560 GZUDVPDUMMJUNG-UHFFFAOYSA-N 456.616 2.106 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H](C(C)C)N2CCCC2)CC1 1760266345 WGVOGPLQZQSCHF-BKMJKUGQSA-N 486.661 2.016 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(COCC)cc2)CC1 1760268823 QAOAAZWXTAKUOQ-UHFFFAOYSA-N 459.554 2.286 30 10 JEEE C=CCn1c(COc2ccc(OC)cc2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1760512791 KFBBBXXEXHLZLQ-WMZHIEFXSA-N 468.602 2.431 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCC[C@H](NC(C)=O)C1 1760518233 NGCDVYNHPRJGDJ-INIZCTEOSA-N 491.390 2.123 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC(CC(=O)NC2CCCC2)CC1 1760523485 AAPFRDXVRZPTKS-IBGZPJMESA-N 458.607 2.140 30 10 JEEE CCc1nn(C)c(OC)c1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](C)C1 1762820365 HQQOWQUBCOHKSG-MRXNPFEDSA-N 451.531 2.307 30 10 JEEE C[C@@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CCCCCC1 1763038944 GTGLMBKOQXXANR-GOSISDBHSA-N 452.559 2.481 30 10 JEEE CCOC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CC(OCC)C2)C1 1765728847 HYRRSXPFUCIRQQ-KDARRYODSA-N 468.558 2.462 30 10 JEEE COC(=O)N1CCC(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCO[C@H](C#N)C2)CC1 1769462484 COCALVIAXGUDNA-OAHLLOKOSA-N 478.351 2.243 30 10 JEEE N#C[C@]1(F)CCN(c2nnc(CNC(=O)c3cccs3)n2CCn2cc(Br)cn2)C1 1771530189 CWEUJICMNFIEKD-GOSISDBHSA-N 493.366 2.371 30 10 JEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(C)nn(-c2ccccc2)c1C 1772564531 AERFCACCSHZXMV-OAQYLSRUSA-N 485.614 2.084 30 10 JEEE Cc1ccc([C@@H](C#N)NC(=O)[C@H](CO)NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccccc2)C3=O)cc1 1867622908 FBZHNJDCPWWFKA-RPWUZVMVSA-N 496.523 2.263 30 10 JEEE C=CCn1cc(OCC(=O)Nc2ccccc2C(=O)OC)c(=O)cc1CN(CCO)CCCC 1870742089 PWWKVTMNLJUCHW-UHFFFAOYSA-N 471.554 2.433 30 10 JEEE COc1c(Br)cccc1C(=O)N1CCC(OCC#CCN2CCN(C)CC2)CC1 1889437070 BYABYFNNGYONDW-UHFFFAOYSA-N 464.404 2.330 30 10 JEEE COc1cc(S(N)(=O)=O)cc(C(=O)NCC#CCOc2cccc(C(F)(F)F)c2)c1OC 1890264853 MFRLRQIEFVCXAE-UHFFFAOYSA-N 472.441 2.182 30 10 JEEE CN(c1cc(C#N)ccn1)C1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccc(F)c2)CC1 1891299148 NXUFBNWIFNDIEU-OAQYLSRUSA-N 471.558 2.373 30 10 JEEE O=C(NCC#CCN1CCCCCC1)[C@@H]1CCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 1891453908 YATIRXSFPJTKPC-NRFANRHFSA-N 462.572 2.134 30 10 JEEE N#Cc1nccnc1OCC1CCN(C(=O)C[C@@H]2CSc3nc4c(c(=O)n32)CCCC4)CC1 1891454008 YGJWZUIJXSYLLO-MRXNPFEDSA-N 466.567 2.138 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)sc1CNC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)O 2256617082 GOCMKQKKXMDMDP-XJKSGUPXSA-N 454.398 2.246 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCC[C@H](NC(=O)OCc3ccccc3)C2)n1 2264010933 OFGFYSZYFDBQKJ-SFHVURJKSA-N 468.363 2.250 30 10 JEEE Cc1cc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2O)sc1B1OC(C)(C)C(C)(C)O1 2267602795 RSIPGXXCRGQKGU-HUUCEWRRSA-N 466.409 2.456 30 10 JEEE CC1(C)OB(c2ccsc2S(=O)(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)OC1(C)C 2267722760 YPZZDQUZAYHHBI-GOSISDBHSA-N 473.429 2.446 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)c1ccccc1 2268633079 QAHHAHBKHBYZRL-CQSZACIVSA-N 460.365 2.464 30 10 JEEE CC(C)(C)OC(=O)N1CC(O)([C@@H](F)C(=O)Nc2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2268719113 YPJLYYMMGXCJLN-INIZCTEOSA-N 450.316 2.244 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@H](C(=O)N3CC=C(B4OC(C)(C)C(C)(C)O4)CC3)O[C@H]2C1 2279909195 RPEHRRCTUFPJOB-OKZBNKHCSA-N 464.368 2.180 30 10 JEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](COc2cccc(B3OC(C)(C)C(C)(C)O3)n2)[C@H]1OC 2281465624 QBDNVFFMQOKAEF-FRQCXROJSA-N 464.368 2.409 30 10 JEEE CO[C@@H]1CN(C(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2F)C[C@H]1NC(=O)OC(C)(C)C 2281781453 KCAPFAZWZMFTBL-IAGOWNOFSA-N 464.343 2.489 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1COC[C@@H]1NC(=O)c1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2281784233 WAIWMCGCRJHOCS-KSSFIOAISA-N 464.343 2.394 30 10 JEEE Cn1ncc(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 2282023333 MMAGRCCVQRJJQT-KCYZZUKISA-N 460.384 2.141 30 10 JEEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)N(C(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)C1 2282034242 FLKVJBYFJVJRLQ-CVEARBPZSA-N 462.400 2.437 30 10 JEEE CC1(C)OB(c2cnc(C(=O)NC[C@@H]3COCCN3Cc3ccccc3)c(F)c2)OC1(C)C 2282036184 FPMCYTFSRQNLDC-LJQANCHMSA-N 455.339 2.151 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H](CNC(=O)OC(C)(C)C)C(C)(C)C1 2282537302 OJJOKTZSYBLLRA-HNNXBMFYSA-N 462.400 2.342 30 10 JEEE Cn1cc(C(=O)N[C@@]23CCCN(C(=O)OC(C)(C)C)C[C@@H]2C3)nc1B1OC(C)(C)C(C)(C)O1 2282553569 YTTIQILNYTYSDW-NPMXOYFQSA-N 460.384 2.239 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC2=CCN(C(=O)OC(C)(C)C)CC2)n1 2282581511 IZVGPERXMVCWFH-UHFFFAOYSA-N 460.384 2.499 30 10 JEEE Cn1cc(C(=O)N[C@@H]2CC[C@H]3C[C@H]2CN3C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2282586064 UBWAJIBFYYFEJW-YQQAZPJKSA-N 460.384 2.237 30 10 JEEE Cn1nc(C(=O)N2CCCCC23CN(C(=O)OC(C)(C)C)C3)cc1B1OC(C)(C)C(C)(C)O1 2282610792 BNESVPJJCCSEQA-UHFFFAOYSA-N 460.384 2.335 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N(C)C[C@H](O)CN(C)C(=O)OC(C)(C)C 2282689811 MYPNYDOKGABURT-KRWDZBQOSA-N 465.400 2.107 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NCCOCCCNC(=O)OC(C)(C)C 2282692011 RABJQDCXKHOVCQ-UHFFFAOYSA-N 465.400 2.468 30 10 JEEE CN(Cc1ccccc1B1OC(C)(C)C(C)(C)O1)C(=O)[C@@H]1C[C@H](O)CN1C(=O)OC(C)(C)C 2283953489 TXFZWSVMUHQXKY-HKUYNNGSSA-N 460.380 2.315 30 10 JEEE CCO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2283969750 QXJDPCDSBWIBER-LSDHHAIUSA-N 481.424 2.331 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](C(=O)NCCc1ccccc1B1OC(C)(C)C(C)(C)O1)C(C)(C)O 2284050853 DUCDTBZFEUEPKG-SFHVURJKSA-N 462.396 2.309 30 10 JEEE CC(C)(C)OC(=O)N[C@@]1(C(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)C[C@H](O)C1(C)C 2284059461 HAHHXJDNNOFOFQ-NPMXOYFQSA-N 461.368 2.374 30 10 JEEE COCCN1C(=O)C(=O)C(=C(O)c2ccc3c(c2)OCCO3)[C@H]1c1ccc(C(=O)OC)cc1 2297744896 PGCYODCIHLEOEM-HXUWFJFHSA-N 453.447 2.313 30 10 JEEE COc1cc(C=Nn2c(COCc3ccccc3)nnc2SCC(N)=O)cc(OC)c1O 2329322581 QWFGHZCNBYFRAJ-UHFFFAOYSA-N 457.512 2.177 30 10 JEEE CC(=O)NCc1nnc(SCC(=O)NC2CCCCC2)n1N=Cc1ccc(N(C)C)cc1 2330773022 GEUFXAZMQFCIDX-UHFFFAOYSA-N 457.604 2.403 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@H]2C[C@@H](NC(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)o3)C[C@@H]21 2369090520 SNZQCAGPXRIZFD-YQQAZPJKSA-N 462.352 2.476 30 10 JEEE NS(=O)(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@H]2c2ccccn2)cc1 170353388 YSZWANALTAFZEX-LJQANCHMSA-N 480.458 2.420 30 10 JEEE CCCCCC[C@H](C)/C=C(C)/C=C\C(=O)N[C@@H]1CC2(O[C@@H]1O)[C@H]1O[C@H]1C(O)(CC(C)=O)[C@H]1O[C@H]12 725383300 YFJWRMZGLWVCSQ-VMIVZIRQSA-N 477.598 2.316 30 10 JEEE C#CCN(C(=O)c1cc(S(=O)(=O)Nc2cccc(C)c2)ccc1C)[C@H]1CCS(=O)(=O)C1 729331422 OVLDISPYQRUUOT-IBGZPJMESA-N 460.577 2.367 30 10 JEEE C=CCN(Cc1cccc([N+](=O)[O-])c1)CN1C(=O)N[C@](C)(c2ccc(S(C)(=O)=O)cc2)C1=O 745155260 MEHURNLLXNZTMP-JOCHJYFZSA-N 472.523 2.411 30 10 JEEE C#CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](CC(=O)OC)C(=O)O 757294794 CASIBOACKHTRSV-NHCUHLMSSA-N 464.474 2.050 30 10 JEEE CNS(=O)(=O)c1cc(C(=O)O[C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)ccc1OC 914427294 HXXFDMUCCRTLOC-FAGJFJLWSA-N 451.545 2.079 30 10 JEEE C=CCSc1nnc(NC(=O)CSc2nnc(NN=Cc3cccc(O)c3)n2N)s1 1083998185 SRKIZZTWSQHMLJ-UHFFFAOYSA-N 463.574 2.004 30 10 JEEE C#CCN1CCN(C(=O)CN2CCc3cc(Br)c(Br)cc3C2)CC1 1174862562 BFTSWPRNKCJJSL-UHFFFAOYSA-N 455.194 2.347 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H]2CCCO2)CC1 1286495475 WZGVDLDCXYKTND-HSALFYBXSA-N 486.617 2.194 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1286587600 NAVHOXPSRJKWOE-SFHVURJKSA-N 460.604 2.124 30 10 JEEE C=CCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(c2cnccn2)CC1 1286709242 ZUWYHOBQDOIGRH-UHFFFAOYSA-N 483.598 2.058 30 10 JEEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cccc(C(N)=O)c1 1286727716 YAADNALUQAUFGA-SFHVURJKSA-N 456.547 2.356 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCCN(c2ccc(OC)cc2)CC1 1286790741 WHBULWYZNBVFRC-UHFFFAOYSA-N 461.570 2.291 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)OC)CC1 1286797295 VCQNGJNIBQYSGU-UHFFFAOYSA-N 477.525 2.427 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@](C)(O)C2CCCCC2)C1 1286810337 PRODZCASFOKUFB-KPLVRAHFSA-N 452.621 2.293 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC[C@H](CC(N)=O)C1 1286819690 SHWJEGBQFXXGHU-QGZVFWFLSA-N 484.582 2.293 30 10 JEEE CCc1nn(C)c(CC)c1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC#N)CC1 1292766916 HTHFTFUYJZJHRS-KRWDZBQOSA-N 459.620 2.217 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2Cc2cc(C)nn2C)c1 1300334538 OYBUSZQQRXWRLW-UHFFFAOYSA-N 454.538 2.410 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1CC1CCC(F)(F)CC1)[C@@H]1CCS(=O)(=O)C1 1300490689 BQZYIWVKILURMO-MRXNPFEDSA-N 450.515 2.187 30 10 JEEE C#CCN(c1nnc(-c2cc(-c3ccccc3)on2)n1CCC(=O)NCCC)[C@H]1CCS(=O)(=O)C1 1300493081 QLKCZOHRYYRDLA-IBGZPJMESA-N 496.593 2.143 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CCCOc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1300501562 MBVPQKFYOQYSKM-OAQYLSRUSA-N 483.569 2.499 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](C1CC1)N(C)C 1300578797 PFIZIIONAJVULD-NHCUHLMSSA-N 470.618 2.390 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2cc(OC)ccc2OC)CC1 1300685109 GKXKDVBMIIDJNE-RUZDIDTESA-N 469.586 2.139 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCCC(=O)N(CC)CC)CC1 1300722887 NBZSXHRXCJWNCB-FQEVSTJZSA-N 458.607 2.134 30 10 JEEE C=CC1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCN(CC)S(C)(=O)=O)CC1 1301112406 VGLJNJJEWPOBTI-UHFFFAOYSA-N 495.671 2.423 30 10 JEEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2c(F)cccc2OC)CC1 1301251223 ACGLSXQJNYFTGA-GOSISDBHSA-N 458.538 2.296 30 10 JEEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2nc(C)c(C)s2)CC1 1301595627 YJLSKPQEDDTYEU-OAHLLOKOSA-N 485.705 2.207 30 10 JEEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)C2CC2)C[C@H](C(F)(F)F)O1 1305204549 AYTMLXDFCPBABQ-RDTXWAMCSA-N 478.475 2.411 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCS(=O)(=O)CC=C 1358899222 JKJJJEWWLQTEEY-IRXDYDNUSA-N 451.593 2.409 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1Cc1ccc(C)nc1)[C@@H]1CCS(=O)(=O)C1 1358958115 HWDVPMSEZJYICG-HXUWFJFHSA-N 451.552 2.332 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CCC[C@@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1358964697 FENZBYJFDHLLFV-SFTDATJTSA-N 457.600 2.240 30 10 JEEE C#CCN(c1nnc(COCC)n1C[C@@H](C)c1nc(-c2ccccc2)no1)[C@@H]1CCS(=O)(=O)C1 1358967551 MXXYOXDCJHIWDE-IEBWSBKVSA-N 484.582 2.295 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@]2(N(C)C)CCSC2)CC1 1359028251 MCBDPSQPXWLTGA-RUZDIDTESA-N 481.670 2.340 30 10 JEEE C#CCN1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CC(C)(C)COC)CC1 1359034297 KZSLOHPLVWMFID-UHFFFAOYSA-N 463.586 2.103 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2CCCS(C)(=O)=O)CC1 1359043850 LGKIPELOSNQGAF-UHFFFAOYSA-N 496.593 2.001 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@](C)(O)c2ccsc2)CC1 1359046432 RKEOVNCVXQGCKF-DEOSSOPVSA-N 464.595 2.199 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCC(=O)N[C@@H](C)CC)CC1 1359047968 ZYGJIYUSDPYEBA-CZTZKLFOSA-N 486.661 2.467 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccnc(OC(F)F)c1 1359070518 OJCWITHWSPPMRC-MGPUTAFESA-N 451.499 2.217 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1359093399 NFXAFHMXEBBEJP-HQRMLTQVSA-N 496.655 2.199 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(C)(C)C)CC1 1359099770 SUWLHCTVVDLLBO-OTWHNJEPSA-N 451.637 2.082 30 10 JEEE C=C(C)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 1359122141 ZUWWCFOGJHHNMM-WIYYLYMNSA-N 491.614 2.244 30 10 JEEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1359128025 HTLQROIHISGDHJ-MSOLQXFVSA-N 462.528 2.055 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1359188179 IDTQDGZTZPUSPA-KRWDZBQOSA-N 487.692 2.081 30 10 JEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](N(C)Cc2ccccc2)C1 1359215449 BRGGFJNTTAAVFQ-VXKWHMMOSA-N 488.658 2.288 30 10 JEEE C=CCN(c1nnc(-c2ccc(OC)c(Br)c2)n1CCS(=O)(=O)NC)C1CC1 1359248166 COEOTIYWBVHMBA-UHFFFAOYSA-N 470.393 2.420 30 10 JEEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1449313067 SGCHYLQLNYVJEM-GOSISDBHSA-N 456.561 2.101 30 10 JEEE C[C@H]1CC[C@@H](C)N1CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCS(C)(=O)=O)CC1 1493436445 FHYUGHIKSHBZAX-OYRHEFFESA-N 499.685 2.246 30 10 JEEE CCS(=O)(=O)N(C)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@](C)(O)C(C)C)CC1 1503261731 DASIEWPCWPCKAB-QHCPKHFHSA-N 474.631 2.474 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1CCN1CCCS1(=O)=O 1507523089 LNTNBPVYJMKFLW-AWEZNQCLSA-N 452.378 2.201 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H](C)N(C)C)c1 1507549622 JDWWYXLUBUMNTK-UQBPGWFLSA-N 468.602 2.325 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2C[C@@]2(N(C)C)CCSC2)c1 1507549755 NPLBCBUGRJZQNB-DEOSSOPVSA-N 476.610 2.229 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1CCc1cc(F)cc(F)c1)[C@@H]1CCS(=O)(=O)C1 1507627019 BZTVNEYYKHWEFT-LJQANCHMSA-N 457.506 2.488 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ncn(C)n1)[C@@H]1CCS(=O)(=O)C1 1507630188 ZTYDKYPLKDPIAY-CQSZACIVSA-N 480.381 2.055 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H]1CCCS(=O)(=O)C1 1507661913 APFAXGAHDQYFFC-GOSISDBHSA-N 456.568 2.250 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCN1CCCO[C@H](C)C1 1507708784 NHWPOIKMJVUWOY-HXUWFJFHSA-N 469.586 2.303 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H]2CCCOC2)CC1 1507735402 VHXOQMFWQLFRLH-SFHVURJKSA-N 467.570 2.355 30 10 JEEE C=C1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCN(C)CCOC)CC1 1507885170 UCIZHVAUUAXFGN-IBGZPJMESA-N 464.611 2.321 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[C@@H](C(=O)OC)C1 1508072663 FABSRRIOUUGLAX-CQSZACIVSA-N 478.347 2.018 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC(N2CCCCC2=O)CC1 1508074183 OWDMRBOWYLXJBY-UHFFFAOYSA-N 452.559 2.237 30 10 JEEE C=CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(CC(C)C)C(=O)C1 1508155967 UTYXDEYZMZMNQB-UHFFFAOYSA-N 491.687 2.462 30 10 JEEE COCC(C)(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1518669801 DDCFCCCGUAFGOH-UHFFFAOYSA-N 467.618 2.480 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@H]1CCCCS1)[C@H]1CCS(=O)(=O)C1 1539201941 CXOVEAUGVHHBQB-ZWKOTPCHSA-N 467.661 2.109 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1Cc1ccoc1)[C@@H]1CCS(=O)(=O)C1 1539204168 ZNTPKKZYQIYAGY-HXUWFJFHSA-N 467.551 2.415 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCC(=O)N1CCCCCC1)[C@H]1CCS(=O)(=O)C1 1539210427 FAMLECUEGHERCD-QFIPXVFZSA-N 494.621 2.236 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@H]1CCCN(CC(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1539224918 KGORHDZLZDDOMO-XZOQPEGZSA-N 484.670 2.259 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1539252082 YIMWOEBNHVBCDN-PMACEKPBSA-N 491.571 2.381 30 10 JEEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 1539421760 XSHFAMWXVUAGHG-IBGZPJMESA-N 486.617 2.276 30 10 JEEE C=CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1nnnn1CC1CC1 1540072213 ROYMNMYKKSXOMV-KRWDZBQOSA-N 457.583 2.460 30 10 JEEE C[C@H](C#N)CN(C)c1nnc(Cc2cn3ccccc3n2)n1CC1(S(C)(=O)=O)CCCC1 1541117199 ATPKKVKZHSQKIF-QGZVFWFLSA-N 455.588 2.470 30 10 JEEE CS[C@@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1555832953 HKXSDFAGWAAKSG-PXNSSMCTSA-N 490.655 2.199 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCO[C@H]2C(=C)C)c1 1587684513 XVOWTQCCLMSKQP-UGKGYDQZSA-N 464.570 2.454 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccccc2F)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1588166524 IAUVYECGCDRJRE-TZIWHRDSSA-N 485.585 2.273 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1c(F)cccc1OC(F)F 1588181339 RNHUBPQEYLZPHS-AWEZNQCLSA-N 469.489 2.140 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCOC3)n2C[C@H]2CC(F)(F)CO2)n1 1588723654 OFFYKRKUGVUBGD-PKOBYXMFSA-N 464.517 2.079 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2(SC)CCC2)CC1 1594241284 LLKFAWXUXJEZHW-KRWDZBQOSA-N 455.650 2.299 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 1595556326 ROSVQYREORTBFS-LJQANCHMSA-N 474.569 2.125 30 10 JEEE C=CCOc1ccc(Cn2c(N3CC[C@H](S(C)(=O)=O)C3)nnc2[C@]2(OCC)CCOC2)cc1 1595639813 LEOHUOZMULADQU-REWPJTCUSA-N 476.599 2.167 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCN(C(=O)C3CCCCC3)CC2)nnc1C(C)(C)C 1595831826 XANZJYMSSLMATP-UHFFFAOYSA-N 451.637 2.405 30 10 JEEE CCC[C@](C)(O)Cn1c(Cc2cccnc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1614339807 ATBJASMMNXJVKB-DEOSSOPVSA-N 463.590 2.055 30 10 JEEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H](C)CNC(=O)OC(C)(C)C 1616197837 DFVPNYJNZNGATR-GOEBONIOSA-N 452.577 2.313 30 10 JEEE CNS(=O)(=O)c1ccc([C@H](C)NS(=O)(=O)c2cccc(Br)c2C#N)cc1 1621679672 FVSGORKTMTYBNJ-NSHDSACASA-N 458.359 2.268 30 10 JEEE N#C[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)C2=NN(c3ccccc3)[C@H](C(N)=O)C2)CC1 1626676824 HEEPEDBIGOHYNQ-SFTDATJTSA-N 450.930 2.169 30 10 JEEE COc1ccc(OC)c([C@H](O)[C@@H](C)NC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1 1634918148 AYIMJHMVOPQLSX-RBQRDFNRSA-N 452.511 2.098 30 10 JEEE C=CCn1c(=O)n(CC=C)c(=O)n(Cc2coc(-c3ccc(F)c(C(F)(F)F)c3)n2)c1=O 1640771616 FEYUCPPBLFJFRP-UHFFFAOYSA-N 452.364 2.405 30 10 JEEE Cc1cc(Cl)cc(C#N)c1OCC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 1641217168 CWXDRQUJPDYMJF-FQEVSTJZSA-N 455.898 2.410 30 10 JEEE Cc1ccc(NC(=O)Cn2c3c(cc(C#N)c2=O)CCC3)cc1S(=O)(=O)N1CCCCC1 1652232953 GLLFSQQCLLYBDE-UHFFFAOYSA-N 454.552 2.330 30 10 JEEE N#Cc1cnn(-c2ccccc2)c1NC(=O)CN1CCCC[C@@H]1COC(=O)N[C@H]1CCOC1 1658561549 AHWKPRSKSGKUKP-AZUAARDMSA-N 452.515 2.052 30 10 JEEE N#Cc1ncccc1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 1661480739 HCIHNJJNGWBLPC-LBPRGKRZSA-N 450.318 2.150 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCN1CCCCCC1=O 1689835188 IAPPDFAGIKXQGG-LJQANCHMSA-N 486.642 2.446 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC1(c2ccc(F)cc2F)CC1)[C@@H]1CCS(=O)(=O)C1 1689977922 HFEOABQLNFZYPB-QGZVFWFLSA-N 491.564 2.053 30 10 JEEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN1CCC[C@H](C)C1 1690100903 HDCHSNPJMJRIPS-IBGZPJMESA-N 473.647 2.056 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@H]2CN(CC(C)C)CCO2)CC1 1690114839 IYPOWCQQIMUPFG-QHCPKHFHSA-N 452.603 2.066 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2CC(F)(F)C2(OC)CCOCC2)CC1 1690124993 YIHVVYCUBUQKDU-GOSISDBHSA-N 453.534 2.106 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CCCn2ccnc2C)CC1 1690150879 YXDWXGFMHISRHX-UHFFFAOYSA-N 466.615 2.195 30 10 JEEE C=C(Br)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC(=O)N(C)C[C@@H]1C 1690220803 AWNLVOBDNBDYAF-ZDUSSCGKSA-N 496.435 2.122 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccc2OC)nnc1N1CCN(CC(=O)N(C)C)CC1 1690248431 NWHFOVWWYYTBQM-OFVILXPXSA-N 482.629 2.069 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccccc2OC)CC1 1690310010 QLYYEMHTLYDJQA-FQEVSTJZSA-N 454.575 2.153 30 10 JEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@](C)(O)c2cc(C)oc2C)CC1 1690397048 UICFGDADRUQMOI-YCRPNKLZSA-N 451.593 2.408 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCN(C(C)=O)C1 1690563058 GANODGQCZYMUDE-RXVVDRJESA-N 474.631 2.339 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1690725206 IKCAVNITSAJOII-RXVVDRJESA-N 494.061 2.280 30 10 JEEE CC(C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCNC(=O)c1ccccc1F 1691870505 CXKKWYFFBSYDGB-KRWDZBQOSA-N 477.548 2.347 30 10 JEEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCNS(C)(=O)=O)C[C@@H](c2ccsc2)O1 1693782191 CJQLVXKMBRNDMY-KXBFYZLASA-N 472.596 2.394 30 10 JEEE CCOc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCN2CCCCC2=O)cc1OC 1696125446 FAZYIRLAPNFHCR-IBGZPJMESA-N 468.558 2.484 30 10 JEEE CN(CCc1cnccn1)c1nnc(COc2ccc(C#N)cc2)n1CCN1CCOC(C)(C)C1 1696786472 ICUZRXXHNWFTTD-UHFFFAOYSA-N 476.585 2.308 30 10 JEEE COc1ccc(OC)c(CCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@@H](C)C#N)c1 1697473281 DWCVBFNTMWXQFB-WMZOPIPTSA-N 461.588 2.426 30 10 JEEE COCc1nc(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)cs1 1697828797 CHKFVNLJURPCBC-KRWDZBQOSA-N 458.569 2.091 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2C[C@@H](C)N2CCN(CC)CC2)c1 1705504916 FWXDJSGMRBYZNN-OAQYLSRUSA-N 488.640 2.366 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1Cc1cnn(CCOC)c1)[C@H]1CCS(=O)(=O)C1 1705562613 GPQKEKHGMCGDAL-FQEVSTJZSA-N 489.001 2.116 30 10 JEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1nc(C)cs1 1705574399 CJPHEJJGNSTFRU-UHFFFAOYSA-N 453.597 2.433 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCc2nccnc2C)CC1 1705645929 KFXQOHQPDBYFAI-UHFFFAOYSA-N 464.961 2.300 30 10 JEEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1705663133 XJUFXZZIEALAJI-FGZHOGPDSA-N 495.697 2.257 30 10 JEEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 1705906186 WGFGTFTYTIZIFA-SFHVURJKSA-N 455.559 2.384 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Br)cc2)nnc1N1CCOC[C@H]1C 1705906845 QNMZUJYFCOXYPU-CQSZACIVSA-N 450.337 2.147 30 10 JEEE C=CCNC(=O)Cn1c(N2CCN(C(=O)c3ccccc3OCC)CC2)nnc1C(C)(C)C 1705908569 DBLIWECQJPESRZ-UHFFFAOYSA-N 454.575 2.239 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccnc3)n2CC2(NC(=O)OC(C)(C)C)COC2)C1 1705918944 TYZNWZILTSIOJM-SFHVURJKSA-N 456.547 2.415 30 10 JEEE C#CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC(C(=O)NCC#C)CC1 1722314185 JHJQXLCXGXKAIC-UHFFFAOYSA-N 485.592 2.444 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1Cc1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1722358712 LEGQFICVZKSZIJ-HXUWFJFHSA-N 496.593 2.427 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC=C)[C@@H]1CCS(=O)(=O)C1 1722365367 DMEXFCFFSJCDCN-QZTJIDSGSA-N 463.604 2.205 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@@H]1OCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1722366539 RPPYQZOGTKGEGN-ICSRJNTNSA-N 460.575 2.450 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1cc(F)ccc1F)[C@@H]1CCS(=O)(=O)C1 1722368584 TTZOTAQQUHGHLP-MAUKXSAKSA-N 450.511 2.125 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2Cc2ccc(OC)nc2OC)CC1 1722440526 AYOBKCGLEWXUBN-UHFFFAOYSA-N 478.553 2.081 30 10 JEEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1722455057 JMEHPFWBDPUFTD-UHFFFAOYSA-N 467.643 2.231 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccc1N1CCOCC1 1722459404 JOBZLOQWUOGBFG-FQEVSTJZSA-N 489.667 2.020 30 10 JEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(Cc2cccc(C)c2)CC1 1722462924 UETKLFUFIBZICP-UHFFFAOYSA-N 452.628 2.398 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCC(NC(=O)COC)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1722499247 IDLPEDOFZLVRAF-KIVTUJJHSA-N 491.633 2.031 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N(C)C[C@H]2CCN(C(C)=O)C2)nnc1[C@]1(OCC)CCOC1 1722502880 UKWJUOBJMSSXDJ-YOEKFXIASA-N 461.607 2.216 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1722523328 NLBNLIGVIJOEHD-OAQYLSRUSA-N 468.583 2.352 30 10 JEEE C=CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1722620273 QAKGRHIAOZQUHQ-QHCPKHFHSA-N 470.666 2.337 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 1722698541 HKYYQBPQUJVEBG-QZTJIDSGSA-N 462.595 2.215 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CCN(c2cccnn2)CC1 1722724528 YZSMCZICMXVPPJ-UHFFFAOYSA-N 473.990 2.316 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1722731786 RWJJHWVWKXKROT-UHFFFAOYSA-N 493.605 2.292 30 10 JEEE C=CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1722734107 AOUZMNYACSMADF-CQSZACIVSA-N 489.465 2.473 30 10 JEEE C[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](CN2CCOCC2)C1)N(C)C 1723855132 BGTGFWKZUGRJMU-IRLDBZIGSA-N 467.618 2.227 30 10 JEEE CCN(CC)C(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](COC)OC)CC1 1728360935 FDSHILFOXBDLQM-HXUWFJFHSA-N 455.563 2.062 30 10 JEEE CCO[C@@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCNC(=O)c2ccc(C)cc2)CCOC1 1728794267 GVNYBVXHQAPQIZ-GOTSBHOMSA-N 456.522 2.111 30 10 JEEE CN(C)[C@@]1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)CCSC1 1729326063 DKAHZFAMQZSBPU-SIKLNZKXSA-N 474.656 2.267 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CC[C@H](C)C2)c1 1740562572 PCYRQAHXGAJFNF-LNLFQRSKSA-N 472.615 2.381 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2CCCCN2CCOCC2)c1 1740562641 MFOQMUHHQXKNKB-JOCHJYFZSA-N 480.613 2.341 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CCS(=O)(=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1740621390 WPGLMXSQGUPGOI-GOSISDBHSA-N 499.058 2.439 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCCN(C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1740628034 VBVPKIMLRFJSHH-IFMALSPDSA-N 471.627 2.325 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1C[C@H](c1ccccc1)N1CCOCC1 1740684870 DHPHHIFSUQPSHC-DHIUTWEWSA-N 453.587 2.332 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@]1(C)COCCO1 1740687901 IJDTVPSPLLXBDE-MBSDFSHPSA-N 463.579 2.242 30 10 JEEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CC(C)(C)N[C@@H](C)c2ccccc2)CC1 1740698488 GXBSEYFLAQMUEL-NRFANRHFSA-N 463.630 2.285 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2ccc(C)nc2)CC1 1740703346 OVLGQCBSICYVGN-UHFFFAOYSA-N 492.605 2.066 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCN(CCC)C(=O)OC(C)(C)C)CC1 1740706557 ZTIIYZROMJYPSK-FQEVSTJZSA-N 488.633 2.395 30 10 JEEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1740720516 BKLGSOLFCXNBGU-IBGZPJMESA-N 451.643 2.015 30 10 JEEE C=C1CCN(c2nnc(C(=O)NC(C)C)n2CCCN2CCN(c3ccncc3)CC2)CC1 1740817339 BSQWKMATZCHONB-UHFFFAOYSA-N 452.607 2.180 30 10 JEEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2ccc(C)cc2)CC1 1740963501 MOQQWTIYOMJCLC-UHFFFAOYSA-N 479.610 2.207 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(N(C)C)cc2C)C1 1740980518 LEEHYHAXZACUFK-PZJWPPBQSA-N 459.616 2.384 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC(n2ccc(C(F)(F)F)n2)CC1 1740990598 WYGHTIJMPKTXPV-UHFFFAOYSA-N 498.535 2.336 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1740992317 DPBKTBSGKZRQKJ-KRWDZBQOSA-N 473.521 2.412 30 10 JEEE CC(=O)N1CCC[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N(C)C[C@H]2CCOC2)C1 1741030136 DWXLFDGFDKDBJQ-LEWJYISDSA-N 452.559 2.460 30 10 JEEE CC(C)NC(=O)CN(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccnc(-n2cccn2)c1 1741693066 FBGIVZHRPJXUCH-UHFFFAOYSA-N 455.526 2.407 30 10 JEEE C[C@@H](c1ccco1)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1741791895 FWIRRMKBTQFGKD-KSFYIVLOSA-N 471.539 2.069 30 10 JEEE CC(C)N1CCC[C@@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(CC#N)CC2)C1 1741918253 ALSUTQURFYURNI-IEBWSBKVSA-N 451.641 2.139 30 10 JEEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C(=O)NCC)CC1 1749026206 HVONAXDPSZCLAT-UHFFFAOYSA-N 458.588 2.180 30 10 JEEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C(C)=O)C[C@H]1C 1749415483 QYSWDIOLSCQOMF-QGZVFWFLSA-N 460.604 2.219 30 10 JEEE C=CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1749616319 YKOCFNTTXFYVEE-OAHLLOKOSA-N 458.950 2.185 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccnc3)n2CCNS(=O)(=O)c2ccccc2)C1 1749707925 XFPISVMQGZKXEV-IBGZPJMESA-N 454.556 2.100 30 10 JEEE Cc1nn(C)c(N2CCN(c3nnc(C(=O)N4CCCC4)n3CCCC(F)(F)F)CC2)c1C#N 1751827208 DUIGGYNHYCSEQO-UHFFFAOYSA-N 479.511 2.097 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C(CC)CC)no1 1760117126 MSALUSBIEFSOTR-KXBFYZLASA-N 464.592 2.009 30 10 JEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(=O)c2ccccc2)CC1 1760130513 JFCKGXJTHFOHRD-GOSISDBHSA-N 472.615 2.091 30 10 JEEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCOC2(CCOCC2)C1 1760155354 WGPUTNCYWLXIRK-LJQANCHMSA-N 475.590 2.386 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1cccc(N2CCOCC2)c1)[C@H]1CCS(=O)(=O)C1 1760182492 JNIXDMLJWACAQS-NRFANRHFSA-N 471.627 2.087 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccnc(OC2CCOCC2)c1 1760209101 VBDVPWHVIRPZTD-UHFFFAOYSA-N 485.548 2.389 30 10 JEEE C#CCN(CC#CC)c1nnc(COc2ccccc2OC)n1C[C@H]1CCCCS1(=O)=O 1760222856 AWTONALJXGZUAF-LJQANCHMSA-N 456.568 2.296 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CC(=O)NCC2CC2)CC1 1760255811 IVUGENVFZZBMKQ-UHFFFAOYSA-N 466.586 2.022 30 10 JEEE C=C(C)COCCn1c(-c2cccnc2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1760354490 CGSRYXINQLSUSO-UHFFFAOYSA-N 467.618 2.457 30 10 JEEE C=C(C)COCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCNC(=O)[C@H]1CC 1760355800 WPXNEVXIEBHKDG-HXUWFJFHSA-N 479.585 2.373 30 10 JEEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(c2ncccc2F)CC1 1760507595 RDKYWGKODICJOZ-UHFFFAOYSA-N 471.562 2.242 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1760524800 JWGZEPGKOZVTPZ-OAHLLOKOSA-N 454.472 2.383 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CC(C)(C)C(=O)NCC)C1 1760545295 RKRCFKXYVSECSU-KRWDZBQOSA-N 479.585 2.136 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1760552840 CDUHJLJORHYARB-CEXWTWQISA-N 476.599 2.424 30 10 JEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H]1Cc1cccs1 1760557618 RFYSMZYDMFLLJZ-QGZVFWFLSA-N 463.629 2.274 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 1760695196 CMCNIHHYTNMLPY-SQNIBIBYSA-N 480.635 2.423 30 10 JEEE CCc1nnc(N2CCCN(c3ccccc3C#N)CC2)n1C[C@@H](C)N1CCN(CC)CC1 1763070113 BGTGGQRYJGFPJE-OAQYLSRUSA-N 450.635 2.455 30 10 JEEE CCC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1763751816 DYSANBQGCFKEIR-DVECYGJZSA-N 467.574 2.320 30 10 JEEE CCN(c1nnc(-c2ccc(C#N)cc2)n1CC1(C(=O)N(C)C)CCCC1)[C@@H]1CCS(=O)(=O)C1 1766440240 FNJHVNAEUWZAQS-HXUWFJFHSA-N 484.626 2.479 30 10 JEEE CC[C@@H](C)[C@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)N1CCN(c2ccccc2OC)CC1 1869929756 MIVFDMFEOURNAU-VGSWGCGISA-N 470.595 2.497 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)Nc2sc3c(c2C#N)CCC3)cn1CCO 1870324688 VDYXFDVWQCIVHR-UHFFFAOYSA-N 468.579 2.454 30 10 JEEE CCCOC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1ccc(O)cc1O 1874339128 JXCKVMIEDVSWFY-WPZNHYQYSA-N 461.544 2.341 30 10 JEEE COc1cc(OC)c(OC)cc1/C=N/n1c(SCCCO)nnc1[C@@H]1CC(=O)N(C(C)C)C1 1874340499 MXEJSFCXEZSIKG-PLVXZXGYSA-N 477.587 2.385 30 10 JEEE CN(C(=O)OC(C)(C)C)[C@@H]1COC[C@H]1C(=O)NCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2180965122 BOUNETJTHWUPMJ-RTBURBONSA-N 460.380 2.484 30 10 JEEE CC1(C)OB(c2sccc2CS(=O)(=O)NCCNOCc2ccccc2)OC1(C)C 2247901479 LBMRANJMIFEDJE-UHFFFAOYSA-N 452.407 2.188 30 10 JEEE CCON(C(=O)c1csnc1B1OC(C)(C)C(C)(C)O1)C1CN(C(=O)OC(C)(C)C)C1 2255640509 UPGHWUXFKLZJDS-UHFFFAOYSA-N 453.370 2.455 30 10 JEEE Cc1nc(C(=O)N[C@H]2CCON(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2255644713 CANYAELUMGBBSJ-ZDUSSCGKSA-N 453.370 2.422 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](O)CN(C(=O)c2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2255802988 IDRZYDLWAHBBLN-UONOGXRCSA-N 452.382 2.147 30 10 JEEE Cc1cc(C(=O)NCCC2(O)CN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2267159219 HQZVWRLHFSIUPZ-UHFFFAOYSA-N 466.409 2.457 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CNS(=O)(=O)c3sccc3B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2267368211 FSMMPTOLMAXGNH-QKDCVEJESA-N 484.449 2.439 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@H]1CNS(=O)(=O)Cc1ccccc1B1OC(C)(C)C(C)(C)O1 2267411886 FQXGJJCPHFUHIK-WMZOPIPTSA-N 466.409 2.318 30 10 JEEE CN(CC(C)(C)CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1)C(=O)OC(C)(C)C 2267541420 CXSMDLNWCJGQAY-UHFFFAOYSA-N 450.389 2.342 30 10 JEEE C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1F 2268643885 MFTKQPQNXMETTE-MEDUHNTESA-N 456.295 2.477 30 10 JEEE COC(=O)[C@@H](CC(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)s1)NC(=O)OC(C)(C)C 2268672535 SUVHUUQDIDPPDV-CQSZACIVSA-N 468.381 2.120 30 10 JEEE CC(C)(C)OC(=O)NCC12CC(C(=O)Nc3ncc(B4OC(C)(C)C(C)(C)O4)s3)(CO1)C2 2268679417 NFYDVRBRNMYQMZ-UHFFFAOYSA-N 465.381 2.455 30 10 JEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H](COCc1ccccc1)C(=O)O 2269035802 HOESUGGJTLHBDN-MRXNPFEDSA-N 481.401 2.304 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@H](C(=O)N3CCC=C(B4OC(C)(C)C(C)(C)O4)C3)O[C@@H]2C1 2279904715 GBUASJOXRRMNHW-RCCFBDPRSA-N 464.368 2.180 30 10 JEEE Cc1c(C(=O)N[C@@H]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281804355 KWBOGWXZXRAEMO-ARFHVFGLSA-N 460.384 2.013 30 10 JEEE Cc1nn(C)c(C(=O)N[C@@H]2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)c1B1OC(C)(C)C(C)(C)O1 2281987239 YMXFPAQPHNSKHW-BZUAXINKSA-N 460.384 2.013 30 10 JEEE Cn1ncc(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 2282044010 QPVXPYFZNUSOAL-JYJNAYRXSA-N 460.384 2.237 30 10 JEEE Cc1cc(S(=O)(=O)N[C@H]2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)ccc1B1OC(C)(C)C(C)(C)O1 2282326778 XVLIQIAKSJNBBB-DZFIZOCASA-N 478.420 2.438 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@@H]2[C@H](NS(=O)(=O)Cc3ncsc3B3OC(C)(C)C(C)(C)O3)[C@H]21 2282503562 BVOLHQXXHAVWDS-KBMXLJTQSA-N 499.464 2.260 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 2282536003 WPDNJAOBYCBXKW-PHZGNYQRSA-N 460.384 2.380 30 10 JEEE C[C@@H]1CCN(C(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1CNC(=O)OC(C)(C)C 2282551655 FJFPSLIGLFVXBL-CVEARBPZSA-N 462.400 2.342 30 10 JEEE Cc1nn(C)c(C(=O)N2C[C@@H](C)C[C@@H](NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2282558053 DRGSYQSFEHHVHP-GOEBONIOSA-N 462.400 2.403 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCO[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 2282593636 SZYGZPLHEAUCMW-CABCVRRESA-N 479.408 2.211 30 10 JEEE Cc1cnc(C(=O)N=c2nc(CNC(=O)OC(C)(C)C)[nH]s2)c(B2OC(C)(C)C(C)(C)O2)c1 2282649449 ZTQAQHSAJKMHNO-UHFFFAOYSA-N 475.380 2.240 30 10 JEEE C[C@H]1CN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C[C@H](C)C1NC(=O)OC(C)(C)C 2282676435 KWYURDLGIORRLE-GJZGRUSLSA-N 460.384 2.397 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2O)[C@@H](C#N)C1 2282976181 RPMQFFFMJVNGDN-INIZCTEOSA-N 457.336 2.276 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(CN(C)C(=O)[C@@H](CC(N)=O)NC(=O)OC(C)(C)C)s1 2283933693 ROWZTBDBNNVZAK-OAHLLOKOSA-N 481.424 2.083 30 10 JEEE C[C@H](NC(=O)c1cc(=NC(=O)OC(C)(C)C)[nH]n1C)c1nscc1B1OC(C)(C)C(C)(C)O1 2283942964 RHTMXDFNBNVDTH-LBPRGKRZSA-N 477.396 2.436 30 10 JEEE CC(C)(C)OC(=O)NCC1(C(=O)N2CCc3c(B4OC(C)(C)C(C)(C)O4)cccc32)COC1 2284037984 UQJYREGKNBDFED-UHFFFAOYSA-N 458.364 2.416 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)NCCCOCCNC(=O)OC(C)(C)C 2285200869 ZQEWEBIVMPQGEE-UHFFFAOYSA-N 463.384 2.350 30 10 JEEE Cc1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N(CCO)CCNC(=O)OC(C)(C)C 2285946696 WQYQZWVHPIXBLZ-UHFFFAOYSA-N 466.359 2.393 30 10 JEEE COC(=O)[C@@H](CS(=O)(=O)Nc1ccc(Cl)cc1C#N)NC(=O)OCc1ccccc1 2286025212 DIRJYJOXMYKCKE-QGZVFWFLSA-N 451.888 2.421 30 10 JEEE COc1ccc(Cl)cc1C(O)=C1C(=O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccncc1 2296623256 XROTVPXVYDFALH-FQEVSTJZSA-N 457.914 2.498 30 10 JEEE COCCCN1C(=O)C(=O)C(=C(O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@@H]1c1ccc(O)cc1 2296776302 FHUNSXWVPIYAEE-FQEVSTJZSA-N 474.535 2.101 30 10 JEEE COc1cc(C=Nn2c(CNC(C)=O)nnc2SCC(=O)NCc2ccco2)cc(Cl)c1O 2330748445 ORPBLXFGDKHQMR-UHFFFAOYSA-N 492.945 2.166 30 10 JEEE CCCOC(=O)CSc1nnc(CNC(C)=O)n1N=Cc1ccc(Cl)c([N+](=O)[O-])c1 2330795164 NHNNYLNLRBHZJR-UHFFFAOYSA-N 454.896 2.403 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N=[S@](C)(=O)C[C@H](C)NC(=O)OC(C)(C)C)n1C 2362324382 RFVIXGFAGMXXDU-ADAWPZLVSA-N 484.428 2.179 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)CC1(C)C 2362343665 JBWKTIGFPSYXNV-HNNXBMFYSA-N 462.400 2.485 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2C)n1C 2362487915 RBJCZHFWXWKHDG-GOEBONIOSA-N 462.400 2.403 30 10 JEEE C=CCn1c(=O)c2sc(N3CCCCC3)nc2n(CC(=O)Nc2cccc(OC)c2)c1=O 21655657 CUMRQJMQXNXKCF-UHFFFAOYSA-N 455.540 2.443 30 10 JEEE Cc1cccc(OC[C@H](O)Cn2c(N/N=C/c3ccc(Cl)cc3)nc3c2c(=O)n(C)c(=O)n3C)c1 107285946 GQWLNCFINKHOMC-ROJKJRQJSA-N 496.955 2.281 30 10 JEEE Cc1cc([C@@H]2CNCCO2)nc([C@@H](S)C[C@@H](S)c2nc(C)cc([C@@H]3CNCCO3)n2)n1 164215286 PIMIHZIEVDTJNQ-CADBVGFASA-N 462.645 2.237 30 10 JEEE CC(=O)Oc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CCN(C)C)c1 170109524 LLYGJKURDGYRFX-NRFANRHFSA-N 452.463 2.481 30 10 JEEE C=CCNC(=O)CN1CCN(C(=O)CCc2ncc(-c3ccccc3Br)o2)CC1 492435059 HYKWJKUQGGTANE-UHFFFAOYSA-N 461.360 2.483 30 10 JEEE CCOc1ccc(NC(=O)C(=O)NCc2ccc(C#N)cc2F)cc1S(=O)(=O)N(CC)CC 609257174 WLIWALYAATUGJY-UHFFFAOYSA-N 476.530 2.381 30 10 JEEE C#Cc1cccc(-n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3ccccc3OCC3CC3)c2=O)c1 726582398 IMEJMTQTLVVQCZ-UHFFFAOYSA-N 481.577 2.451 30 10 JEEE O=C(C#CCNC(=O)OCC1c2ccccc2-c2ccccc21)NCc1ncc(C(=O)O)cn1 757479387 KWFUGVPZYRFEGH-UHFFFAOYSA-N 456.458 2.333 30 10 JEEE C#CCCNC(=O)c1cccc(S(=O)(=O)N(C)c2c(C)n(C)n(-c3ccccc3)c2=O)c1 1126066895 XPJWOBWUYDIVLO-UHFFFAOYSA-N 452.536 2.063 30 10 JEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@H](Nc3cc(OC)cc(OC)c3)C2)c1 1149999423 BATJCZKMDPTWGR-SFHVURJKSA-N 457.552 2.332 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OCC)CCOC3)n2Cc2snnc2C)c1 1286308588 KNKAHFQWDJDJSB-QHCPKHFHSA-N 481.582 2.195 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(F)cc2Br)n1Cc1ccc(C(N)=O)nc1 1286404677 VVRBIIMFBIDACW-UHFFFAOYSA-N 467.302 2.462 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1CN(CC)CC 1286409322 KDHJEGMXEGWDEZ-JOCHJYFZSA-N 453.612 2.143 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C 1286446414 FTTGPSBAPCNJKU-IAGOWNOFSA-N 453.609 2.143 30 10 JEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)C[C@@H](c1cccs1)N1CCOCC1 1286504842 QLMNMMFFXXCKGJ-ROUUACIJSA-N 474.656 2.167 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)ccc2Br)n1Cc1nnn(C)n1 1286518741 ZQSQIOSVYKBAIM-LJQANCHMSA-N 457.336 2.280 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCO[C@@H](COC)C2)nnc1[C@]1(OC(C)C)CCOC1 1286565197 YQKOPHBPEABGFW-UGTOYMOASA-N 450.580 2.152 30 10 JEEE C=CCCOCCn1c(N2CCN(C3CC3)C(=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1286716092 FHIYISRJLWCLNH-HDICACEKSA-N 474.606 2.453 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCC(c2cnn(C)c2)CC1 1286792101 MGLXTVGPDGBAQA-UHFFFAOYSA-N 453.522 2.416 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCO[C@H](C#N)C1 1286815398 UCQQLYFWOIVURO-DOTOQJQBSA-N 461.613 2.461 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CC[C@](O)(c2ccc(F)cc2)C1 1286816697 KWJMCQASABXTCD-JOCHJYFZSA-N 457.531 2.178 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 1286817231 RKXNRBTZGCCIHP-GOSISDBHSA-N 464.588 2.469 30 10 JEEE C=CCSCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCN(CC(=O)N(C)C)CC1 1286825042 FMSQKOOURKYDJO-UHFFFAOYSA-N 480.642 2.465 30 10 JEEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCOc1ncccc1Cl 1293113352 FVDKFELCPFERPM-HNNXBMFYSA-N 453.938 2.345 30 10 JEEE CO[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1)C(C)C 1299648164 FETHCZGEVBVCSF-OAQYLSRUSA-N 467.574 2.062 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2CC2(CS(C)(=O)=O)CC2)c1 1300333059 UCLSAHMYXOXOCC-UHFFFAOYSA-N 466.567 2.154 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1Cc1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1300499752 WKFLQRCQPPQERN-GOSISDBHSA-N 457.531 2.288 30 10 JEEE COc1ccccc1Cc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCCC(=O)N(C)C 1300571465 COEJUZLNTGYLQJ-UHFFFAOYSA-N 488.596 2.339 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCc2cc(F)cc(F)c2)CC1 1300719837 RVGCUHOPFHEWNM-UHFFFAOYSA-N 451.481 2.222 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)CC1 1300725648 IXENWLOSDMXMCO-HXUWFJFHSA-N 482.604 2.316 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)NCC)CC1 1300890906 IQPIGWMSSFGSJZ-YLJYHZDGSA-N 487.630 2.102 30 10 JEEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccc(C)c2)CC1 1300971823 GPBJGWPGQMCVFH-LJQANCHMSA-N 462.620 2.116 30 10 JEEE C=CCCOCCn1c(C(C)C)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1301239398 OZHJBIHTQJPLBY-UHFFFAOYSA-N 454.622 2.270 30 10 JEEE C=CCN(CCc1ccco1)c1nnc(Cc2ccc(F)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1301412524 CTIABKIGBLDIBO-HSZRJFAPSA-N 474.558 2.386 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC(NC(=O)c2ccc(F)cc2)CC1 1301491343 QCACYOSMRSADAB-UHFFFAOYSA-N 463.517 2.180 30 10 JEEE CC(C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1303425124 FOVPUDKJUUIFKP-KDURUIRLSA-N 453.591 2.277 30 10 JEEE Cc1ccc(OCc2nnc(N(CCC#N)CC3CC3)n2C[C@]2(O)CCS(=O)(=O)C2)cc1C 1304404827 GBFBLNNBBBFTDP-HSZRJFAPSA-N 473.599 2.154 30 10 JEEE Cc1ncc(CN2CCN(c3nnc(-c4cccc(C#N)c4)n3CCC(=O)N(C)C)CC2)s1 1304699333 GERFJTJEZJBBNZ-UHFFFAOYSA-N 464.599 2.382 30 10 JEEE COc1cc(-c2nnc(N(C)[C@H](C)CC#N)n2C[C@H](C)N2CCOCC2)cc(OC)c1OC 1315290655 FJUCCVZPTIILPI-SJORKVTESA-N 458.563 2.430 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2cccnc2)n1C[C@@H]1C[C@@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1358980042 GTGJVDYJDDIDEG-BHIFYINESA-N 476.581 2.361 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCCc3ccccc3)n2CC2(C(N)=O)CCCC2)CC1 1359047164 ULQWLSSAUHTMGJ-UHFFFAOYSA-N 476.625 2.465 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](O)(c2ccccc2F)C1 1359091821 SPUCXXJIASMHKV-OITUCODZSA-N 493.605 2.107 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1359302104 WVCKWCYSJDJWBP-GOSISDBHSA-N 488.564 2.040 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(CCOc2ccccc2Cl)CC1 1359306844 RYSZZSXQRLZZRA-HXUWFJFHSA-N 474.993 2.286 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccc(N3CCCC3=O)c2)C1 1359312063 MVIOBZUHQXHGFY-HXUWFJFHSA-N 452.559 2.373 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(CCc3ccccc3)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1359324333 IXIORUXGYUKYHU-RTWAWAEBSA-N 459.616 2.269 30 10 JEEE C=CCSCCn1c(N2CC[C@@H]3NC(=O)OC[C@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1359346656 REJBTNAOAYTIFQ-WWMYMODYSA-N 451.593 2.173 30 10 JEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(Cc3ccccc3)C(=O)CO2)C1 1455213053 SYAPLQPDXNUAES-NLFFAJNJSA-N 455.555 2.323 30 10 JEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCc1ccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)cc1 1478626609 UYPWBQYXDUHFQQ-DEOSSOPVSA-N 454.527 2.398 30 10 JEEE CNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCSC2)CC1 1503827446 BCYLKMJDWMHSAD-GOSISDBHSA-N 455.588 2.333 30 10 JEEE C[C@@H]1CN(C2CCOCC2)CCN1c1nnc(COc2ccc(C#N)cc2)n1CCCC(=O)N(C)C 1505277464 COFDDYUBJKRXHT-HXUWFJFHSA-N 495.628 2.287 30 10 JEEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 1507572382 HWHWOSSEYUETMI-NHCUHLMSSA-N 492.628 2.156 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCC(=O)Nc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1507630823 IKXJQVFHYQCZQZ-HXUWFJFHSA-N 478.578 2.304 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@H](c1ccccc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1507633777 GZYJFPKCLCAEDG-XZOQPEGZSA-N 478.622 2.194 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H](C)Oc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1507634543 YWCXUVLHJPPZOW-VAMGGRTRSA-N 458.584 2.266 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1CCc1ccc2c(c1)OCCO2)[C@H]1CCS(=O)(=O)C1 1507634912 REGBUWYWVWMUIV-IBGZPJMESA-N 458.584 2.117 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCc1ccc(N(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 1507637207 AFHCBCICYGEUQO-HSZRJFAPSA-N 495.653 2.075 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2cc(OC)ccc2OC)CC1 1507715881 JQMCYQXNDBIEDQ-UHFFFAOYSA-N 454.575 2.017 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H]2CCCCO2)CC1 1507734967 FZDSRIQOKNCQKW-FQEVSTJZSA-N 467.570 2.497 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2ccccc2OC(F)F)CC1 1507737522 AVNCCAABEYFCHJ-GOSISDBHSA-N 486.523 2.039 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCN(C)Cc2ccc(F)cc2)CC1 1507739043 LJMUCXYBPVXNKM-NRFANRHFSA-N 468.577 2.019 30 10 JEEE C#CCSCCn1c(-c2cccc3cccnc23)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1507748727 TVQOCKRDMSXOBH-GOSISDBHSA-N 470.624 2.378 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1507785423 QONAUBUGPKBFKV-YESZJQIVSA-N 470.412 2.448 30 10 JEEE C=C(Cl)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1507853732 HAYMBTMLQYDUFU-INIZCTEOSA-N 466.995 2.370 30 10 JEEE C=CCN(c1nnc(-c2cc(OC)ccc2Br)n1CCNS(C)(=O)=O)C1CC1 1507989181 WZANTDZFBXFYAT-UHFFFAOYSA-N 470.393 2.420 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc(CN2CCCC2=O)n1Cc1ccc(C(N)=O)nc1 1508005925 BXOMPJOOSMLUSL-UHFFFAOYSA-N 463.517 2.274 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(Nc2cc(OCC)ncn2)CC1 1508077930 RPNADABYWUMDMQ-UHFFFAOYSA-N 487.568 2.389 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(Cc3ccncc3)n2C[C@H](N2CCOCC2)C(F)(F)F)C1 1508128091 OQSZCGGNLOGYCQ-OALUTQOASA-N 466.508 2.308 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@H](CC(N)=O)C1 1508133911 ONAFECNRDRFMNG-CQSZACIVSA-N 469.970 2.430 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@H](COCC)C1 1508140151 KUHSVXUDGGXFGV-KRWDZBQOSA-N 486.598 2.448 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N(C)[C@H]1CCN(Cc2ccccc2)C1 1508146981 GDPROSUEMMHDCD-LEWJYISDSA-N 459.616 2.441 30 10 JEEE C[C@@H](c1nccs1)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N(C)C)CC1 1509938269 GFUKSJHLLFDANC-KRWDZBQOSA-N 480.598 2.157 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@]2(O)CCCC2(C)C)c1 1539042816 JIVIGFIBNHPKSN-UQBPGWFLSA-N 464.570 2.227 30 10 JEEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1539153699 IYCLWXDOHNCEIQ-DHLKQENFSA-N 453.587 2.289 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1C[C@@H]1CC=CCO1)[C@H]1CCS(=O)(=O)C1 1539230975 RUYKCPNBNMHXNE-UNMCSNQZSA-N 470.595 2.446 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@]2(O)CCO[C@@H]2C)CC1 1539434885 XBHRRVMIQIVZGN-QVKFZJNVSA-N 478.366 2.142 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@H](C)CN2CCOCC2)CC1 1539437754 HWHKYYOXWAAAJF-QGZVFWFLSA-N 493.475 2.493 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H]2CCC[C@H](O)C2)CC1 1539462984 QTJXDHSQCWZMCD-BURNTYAHSA-N 472.634 2.355 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CC(C)(C)COC)CC1 1539477732 WXSXFBRDTCNQHL-UHFFFAOYSA-N 477.569 2.232 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2Cc2cc(OC)ccc2OC)CC1 1539481609 MQYFIXRMNIJAHI-IBGZPJMESA-N 467.570 2.203 30 10 JEEE C#CCSCCn1c(-c2ccccc2F)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1539506761 XLARCUAEYNUREH-INIZCTEOSA-N 451.593 2.216 30 10 JEEE C=C(Br)Cn1c(N2CC(=O)N[C@@H]3CCCC[C@@H]32)nnc1[C@]1(OC(C)C)CCOC1 1539608804 CYTTUXOGEPGXQG-GUXCAODWSA-N 468.396 2.475 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCN(c2ncc(F)cn2)CC1 1539617091 UKZHSKYIGNMIOF-NSHGMRRFSA-N 475.569 2.239 30 10 JEEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)CC(C)(C)C1 1539751254 JJHLBWNGAXEJDK-QZTJIDSGSA-N 455.625 2.076 30 10 JEEE C=C(C)COCCn1c(COc2ccc(F)cc2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1539758548 JUQZTJSYNVGGLH-DEOSSOPVSA-N 486.548 2.403 30 10 JEEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC2(CCOCC2)C1 1539967174 OSLMYQCPLMWYRL-LJQANCHMSA-N 467.636 2.364 30 10 JEEE C=CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)NC)CC1 1539968309 YHPCPLKMAHIFIP-GOSISDBHSA-N 477.610 2.404 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCN(C)C(=O)[C@@H]1C 1540899118 DNRYBLFZRZRRBH-SFHVURJKSA-N 499.593 2.385 30 10 JEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)c2ccc(OC)cc2OC)CC1 1542240231 AABMPEHHNQZKNB-LJQANCHMSA-N 459.543 2.295 30 10 JEEE CC[C@H](C)NC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCOC2)CC1 1545716971 CVJGGNYYHLBMSI-UNMCSNQZSA-N 495.628 2.192 30 10 JEEE C#CCNC(=O)C1CCN(C(=O)c2ccc(C)c(S(=O)(=O)NCc3ccccc3)c2)CC1 1568076173 FTPYGLCNNMXVRB-UHFFFAOYSA-N 453.564 2.075 30 10 JEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1 1587808218 OFVVMFNEEWOYOZ-SQNIBIBYSA-N 480.635 2.137 30 10 JEEE C#CCN(c1nnc(-c2cccc3cccnc23)n1CCC(=O)N[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1588044730 BJSZAKJINUPKIN-UYAOXDASSA-N 494.621 2.425 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1CCc1ccc(OCC(F)(F)F)nc1)[C@H]1CCS(=O)(=O)C1 1588064582 KYIHKCKNXBSDBE-SFHVURJKSA-N 497.543 2.436 30 10 JEEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1CCNc1nccc(C(F)(F)F)n1 1588272240 WPFSWBKXLNRZPO-LJQANCHMSA-N 453.469 2.311 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2Cc2cccc(C(=O)NC)c2)CC1 1588763024 PVNNTWHIRCTUAT-UHFFFAOYSA-N 496.413 2.209 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@H]2CC(=O)N(CCOC)C2)CC1 1588769784 YEUHJLNCIGNEQH-OAQYLSRUSA-N 478.641 2.493 30 10 JEEE C=C(Br)Cn1c(Cc2cn3ccccc3n2)nnc1N(CC)CCS(C)(=O)=O 1589427284 GLEPGOAUKBHGGN-UHFFFAOYSA-N 467.393 2.296 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccc(C(=O)N(C)C)c2)CC1 1594237964 ZMPDHTYGWJKIRD-FQEVSTJZSA-N 457.600 2.333 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1OCC[C@H]1C 1595239257 HZGLHTMUPUIBRB-FCEUIQTBSA-N 489.642 2.271 30 10 JEEE C=CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1595442159 FLAXMQJMZGXKSQ-UHFFFAOYSA-N 482.629 2.321 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CC1CC1 1595805667 SCQONSGCMWINMC-KRWDZBQOSA-N 469.608 2.034 30 10 JEEE CC(C)[C@@H]1OCCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1603158148 DHPCDIGJFBKYRL-RTWAWAEBSA-N 472.615 2.350 30 10 JEEE C=CCn1c(S)nc2cc(C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3OC)ccc2c1=O 1611671095 KIEIJHRWZFSYSE-IAGOWNOFSA-N 460.556 2.235 30 10 JEEE CC1(C)CN(CC(F)(F)F)CCN1CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 1616677208 HUMIKAXRVROJPJ-IBGZPJMESA-N 455.500 2.493 30 10 JEEE COc1ccc(O[C@@H](C)CNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 1632451808 FNADYBJMWYERRY-KRWDZBQOSA-N 458.540 2.050 30 10 JEEE C=CCN(C(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1)[C@H]1CCS(=O)(=O)C1 1672634838 MSPYJEJPVCEQPM-AEFFLSMTSA-N 455.602 2.314 30 10 JEEE C#CCN(C(=O)NCCS(=O)(=O)NC(C)C)[C@@H]1CCOc2ccc(Br)cc21 1676118551 ASZXNSPHGFYAKV-MRXNPFEDSA-N 458.378 2.245 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H](CC(C)C)N(C)C)[C@H]1CCS(=O)(=O)C1 1689983586 DEGOYKPOKKERAC-VQTJNVASSA-N 487.626 2.277 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2cccnc2)n1CCN1CCN(Cc2ccccc2)CC1 1690022537 IKXMPUIGDLKIAC-UHFFFAOYSA-N 453.594 2.155 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CCC(=O)NCc2ccccc2)CC1 1690142356 MIACSEPRKWDBHV-UHFFFAOYSA-N 471.565 2.012 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2Cc2ccc(OC)c(O)c2)CC1 1690144156 NTFYDJFHZXFPEH-UHFFFAOYSA-N 460.538 2.377 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@H]2CCN(CC(F)(F)F)C2)CC1 1690148374 FFHRJOZEKLVRMB-SFHVURJKSA-N 489.546 2.114 30 10 JEEE C#CCSCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@H](C(N)=O)C1 1690172679 LMIHTIMELOBMKC-KRWDZBQOSA-N 462.620 2.071 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1nnc(C(C)(C)C)s1 1690190535 XYCLWFYAZBYUPZ-ORAYPTAESA-N 451.622 2.078 30 10 JEEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCCN(c2nccc(OCC)n2)CC1 1690218388 DUEMPPHZODSHTD-UHFFFAOYSA-N 493.410 2.230 30 10 JEEE C=C(C)Cn1c(COc2ccccc2F)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1690295752 NEPPFFWTPHWPDU-SFHVURJKSA-N 479.578 2.203 30 10 JEEE C=C(C)COCCn1c(N2CCN(c3cc(N4CCOCC4)ncn3)CC2)nnc1C(C)(C)C 1690320377 RSRGXVJKNQQVLA-UHFFFAOYSA-N 470.622 2.122 30 10 JEEE C=CCCOCCn1c(N2C[C@H](C)O[C@@]3(CCCOC3)C2)nnc1[C@@]1(OCC)CCOC1 1690511246 VAMRZEIZRHNXGB-AJSBUHFISA-N 450.580 2.297 30 10 JEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1ccccc1)N(C)C)C1CC1 1690545640 VTZCRERYFHMZFF-NHCUHLMSSA-N 474.631 2.069 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCCO3)n2CCNS(=O)(=O)c2ccccc2)C1 1690700501 SXOYQWDGXCKXML-UYAOXDASSA-N 461.588 2.280 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1690725301 LQXONQVMWUXVQO-DVECYGJZSA-N 490.626 2.253 30 10 JEEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](c2ccco2)C1 1690746787 JZRNOPSCBLQKMB-AEFFLSMTSA-N 467.617 2.117 30 10 JEEE C/C(=C/c1ccccc1)CN(C)c1nnc(C(=O)NC(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1690753112 ZXTZVIDPZMKGKB-XHPAHQOQSA-N 477.569 2.482 30 10 JEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CCCCCS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 1705560127 DJFWOQPIESTOKN-IBGZPJMESA-N 499.058 2.440 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCS(=O)(=O)CC=C 1705610815 FUUIHBTZDPXUMH-UHFFFAOYSA-N 468.583 2.296 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc([C@@H](C)O)cc2)CC1 1705647553 GPBQEZFFTDPAKK-GCJKJVERSA-N 451.571 2.240 30 10 JEEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1705720905 HSYDNMCDXSRXKG-SFHVURJKSA-N 457.604 2.048 30 10 JEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](Oc2ncccc2F)C1 1705819163 FCOIOYGYDJMHLE-MJGOQNOKSA-N 494.593 2.159 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCOC[C@H]1C 1705861271 AFXNXRMQVAKFQJ-FCEUIQTBSA-N 489.642 2.476 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc(-c2cnccn2)n1CC1(O)CCS(=O)(=O)CC1 1705862348 HHQRXRCCQHWAHG-UHFFFAOYSA-N 472.546 2.007 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCn1ccnc1C 1705868389 LOUIKGCVIIOJSO-IBGZPJMESA-N 491.643 2.070 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H](C)[C@H]1C 1705931399 OUTUHVJNVNXBGW-IAGOWNOFSA-N 481.644 2.031 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(F)ccc2Br)nnc1N1CCO[C@H](C#N)C1 1705931465 QFDBIUBYOBSKRZ-CQSZACIVSA-N 484.351 2.176 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1705933216 YBSLVCQQVYDFQS-NRFANRHFSA-N 492.609 2.313 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1C[C@@H](C)O[C@H](CC)C1 1705936399 QCRVMEHWFXXGQR-HLIPFELVSA-N 462.572 2.395 30 10 JEEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1722310191 INPDSVDBWMICCU-UHFFFAOYSA-N 493.655 2.012 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCCC)[C@H]1CCS(=O)(=O)C1 1722359477 NGJBFLYQYZAWQC-KRWDZBQOSA-N 462.572 2.398 30 10 JEEE C#CCN(c1nnc(-c2ccc(Br)cc2)n1CC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1722359543 OJZGJVHWGMSCEY-MRXNPFEDSA-N 467.389 2.105 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1[C@H]1C[C@H](c2ccccc2F)C1)[C@H]1CCS(=O)(=O)C1 1722359619 VCMBHINGTASAQW-BZSNNMDCSA-N 473.574 2.301 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1CCc1ccc(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1722363025 YNFCHTJVSNRCKL-IBGZPJMESA-N 481.578 2.227 30 10 JEEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccccc1CN1CCCC1=O 1722373299 GXZYKGNFCWGWDS-AREMUKBSSA-N 461.566 2.174 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCCN1CCC(O)CC1 1722390561 SCUFNMFYYHYTAI-UHFFFAOYSA-N 483.016 2.171 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1conc1COC 1722422326 QVQKQZIMGSWSHV-KRWDZBQOSA-N 473.530 2.142 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc(OCCC)nc2)CC1 1722432790 FAABBHMOMUAENT-VWLOTQADSA-N 468.602 2.306 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC(C)(C)C(=O)NCC)CC1 1722442430 WLFGSLODWYXUBE-IBGZPJMESA-N 487.649 2.268 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCC2(COC)CCCC2)CC1 1722446401 VDZJITVFBKABMO-UHFFFAOYSA-N 453.591 2.241 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2C[C@H]2CC(F)(F)CO2)CC1 1722449818 PVUIASPVBUYRRF-HXUWFJFHSA-N 457.525 2.453 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2Cc2cc(C)no2)CC1 1722450982 VATJKCOTKIOICZ-UHFFFAOYSA-N 452.490 2.307 30 10 JEEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1722452974 URVMEFWGRMLLPP-ZDUSSCGKSA-N 451.350 2.043 30 10 JEEE C=C(Br)Cn1c(N2CCN(C(=O)NCC)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1722488610 IZVORSMINIZMFU-LJQANCHMSA-N 471.400 2.079 30 10 JEEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1722527139 AHPQKCJFVHWLKZ-IBGZPJMESA-N 466.546 2.312 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(F)(F)Br)CC1 1722581541 JBFFWOMJPUYMQC-CYBMUJFWSA-N 484.367 2.001 30 10 JEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(Cn2nc(C)cc2C)CC1 1722617564 KJUMXUWFGLRYKE-NRFANRHFSA-N 491.662 2.307 30 10 JEEE C=CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1722686281 VTLIVMPKXMLGGY-VOIUYBSRSA-N 487.605 2.393 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(c2ccccn2)CC1 1722692480 NMMCPODPXAJSDW-UHFFFAOYSA-N 474.569 2.171 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N(C)CC1CC(F)(F)C1 1722727949 QKTLNGXSYWYCJQ-UHFFFAOYSA-N 457.503 2.088 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@H](C)[C@H]1C 1722729331 YZIJOKQMUNYKGK-ZWKOTPCHSA-N 459.620 2.288 30 10 JEEE Cc1ccc(-c2nc(Cn3c([C@H]4CN(S(C)(=O)=O)CCO4)nnc3N(C)[C@@H](C)CC#N)co2)cc1 1724280276 ARBPKUXAVWYOLH-FXAWDEMLSA-N 499.597 2.361 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](Cc2ccc(F)cc2)C1 1740592504 YSIPHMXOXOOVBI-PZJWPPBQSA-N 475.590 2.233 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2Cc2ccc(Cl)nc2)CC1 1740702321 LFEJCHWGOYYVDF-INIZCTEOSA-N 460.966 2.065 30 10 JEEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1740713878 SUHQEXGSHLHDCY-LJQANCHMSA-N 479.614 2.030 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2OCC)n1CCC(=O)N1CCOCC1 1740735457 QEMAEUJEGHYDAS-RUZDIDTESA-N 467.570 2.497 30 10 JEEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2cccc(Cl)c2)CC1 1740886003 SYWJJDOUXYWSKU-LJQANCHMSA-N 472.977 2.438 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1740961966 OAVBSBXWYGGNKP-KRWDZBQOSA-N 453.522 2.461 30 10 JEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2cc(F)ccc2F)CC1 1740963593 PLLRJBKUNUHDSB-UHFFFAOYSA-N 470.528 2.047 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1C[C@H](C)OC(C)(C)C1 1740991952 IYXSSEVWKLZCMI-LPHOPBHVSA-N 462.572 2.395 30 10 JEEE Cc1cc(C)n(-c2ccc(Cn3c([C@H](C)NS(C)(=O)=O)nnc3N3CCC[C@](C)(C#N)C3)cn2)n1 1742668965 HFOFNKAPUIRBBT-FDDCHVKYSA-N 497.629 2.264 30 10 JEEE CCNC(=O)C(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC2CC2)CC1 1746499069 CXMGMNZGRPVYDL-UHFFFAOYSA-N 465.602 2.423 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccccc1S(=O)(=O)N(C)C 1748642966 SBIWJPIJWQAISK-MBSDFSHPSA-N 475.615 2.075 30 10 JEEE C#CCCCCn1c(CC(C)(C)C)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1748717892 LEARWHYUFDBUPB-LJQANCHMSA-N 451.637 2.301 30 10 JEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CCS(=O)(=O)CC1CC1)[C@@H]1CCS(=O)(=O)C1 1748809638 VEGDAFWXFPXUJF-LJQANCHMSA-N 497.042 2.050 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1CCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1748810168 ZTYYATFYOOHWSB-GOSISDBHSA-N 490.536 2.378 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1ccnc(SC)c1)[C@@H]1CCS(=O)(=O)C1 1748820081 YRPROIYEYKTEFZ-LJQANCHMSA-N 468.608 2.056 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1CCCN1CCCO[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1748820660 GOLDZDSTEPZBKD-PZJWPPBQSA-N 491.683 2.058 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1Cc1nccs1)[C@H]1CCS(=O)(=O)C1 1748821350 PVSNAEWAWDPXRI-KRWDZBQOSA-N 457.581 2.297 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCN2CCSCC2)CC1 1748978217 ICQLYCCRYQQFKI-UHFFFAOYSA-N 462.570 2.351 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2Cc2nnc(CC)s2)CC1 1749006040 GPDCCZNDPXHIOU-UHFFFAOYSA-N 465.583 2.382 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1749124883 QUKOFBNYIUPBOY-TVKQPGBESA-N 461.950 2.335 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H]1CCO[C@H](C)C1 1749158311 GRWBYBFVTWXCCH-QRVBRYPASA-N 455.625 2.219 30 10 JEEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1749232827 UTVHEVHLRCBVRA-XUZZJYLKSA-N 481.645 2.236 30 10 JEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1749630221 QRTFOLQNLWORIT-FDDCHVKYSA-N 473.578 2.258 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN2CCOC[C@@H]2C1 1749725130 QKFIYWLLPLDZEW-NRFANRHFSA-N 473.643 2.364 30 10 JEEE Cc1noc(C)c1CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C#N)C1 1751950509 DUMUJQATUYAHHP-SFHVURJKSA-N 469.933 2.438 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1C[C@H](C)N1CCN(c2ccccc2)CC1 1760249609 PAROBECFRCOCCX-GOTSBHOMSA-N 466.630 2.469 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCCCN(C)c2ccccc2)CC1 1760264726 CTOMNBZWZUYGFZ-UHFFFAOYSA-N 491.640 2.397 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OCC)c(OC)c2)n1CCC[C@@H]1NC(=O)NC1=O 1760292233 UUBFGYZEKDQSMF-BXKMTCNYSA-N 466.542 2.333 30 10 JEEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1760299581 ALFNHFBICWYJHJ-OAHLLOKOSA-N 455.401 2.014 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1760412973 VNHRVPZPJZLEAF-MOPGFXCFSA-N 478.663 2.365 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc(Cc2ccccn2)n1CCN1CCCS1(=O)=O 1760482778 PZQQSRLHSKZVHW-UHFFFAOYSA-N 452.584 2.492 30 10 JEEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(C)Cc1ccc(Br)o1 1760521018 HJRBKBJHWOEZNP-UHFFFAOYSA-N 477.319 2.300 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1ccc(C)o1 1760522374 RWHFKXBJGYFWAQ-GOSISDBHSA-N 474.562 2.427 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@H](NC(=O)OCC)C1 1760526195 HFADDZOMKUVWAC-IBGZPJMESA-N 470.574 2.491 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C2CCC(C)CC2)CC1 1760530378 ORJYHIXOEUDEQC-OYZUSSLQSA-N 460.623 2.005 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccco1)N1CCCCC1 1760688106 ARCBWZCSPMQSEM-SQNIBIBYSA-N 463.608 2.304 30 10 JEEE CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)COC)CC1 1766648090 FMWXHXKKNNGEFH-LJQANCHMSA-N 453.591 2.090 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCOC[C@@H]1C 1772660482 JSVPCPOIXOBACM-INIZCTEOSA-N 450.561 2.178 30 10 JEEE C=CCN(C[C@H](O)c1cccc(OC)c1)C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 1857999238 NECKOGSJBKWZMW-QFIPXVFZSA-N 460.552 2.078 30 10 JEEE N#Cc1ccccc1S(=O)(=O)N1CC[C@H](NS(=O)(=O)c2ccc(Br)cc2)C1 1858335419 LWVFIUXYXGNHBW-HNNXBMFYSA-N 470.370 2.062 30 10 JEEE O=C(C1=C(O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccc(O)c(O)c1)c1ccc(F)cc1F 1862416538 HFIDPPJHLHWMRY-HXUWFJFHSA-N 460.433 2.287 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(C(=O)O)cc2)cc1 1862694387 IISNLVRNWIHMTI-OAQYLSRUSA-N 466.490 2.304 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)COc2nonc2CC(=O)N(CCC)CCC)nc1C 1872637049 NVNBHFULAQQKQV-UHFFFAOYSA-N 465.532 2.386 30 10 JEEE CCN1CCN(CC#CCOC2CCN(C(=O)c3cnc(OC)c(Br)c3C)CC2)CC1 1889436702 KKZHHAHZVYINKV-UHFFFAOYSA-N 493.446 2.423 30 10 JEEE COc1ccc(CCNC(=O)N2CCC(OCC#CCN3CCN(C(C)C)CC3)CC2)cc1 1890427689 ACCXYUVUMVTMLK-UHFFFAOYSA-N 456.631 2.458 30 10 JEEE CN1CCN(CC#CCOC2CCN(S(=O)(=O)c3ccc(Cl)cc3Cl)CC2)CC1 1890432882 MHWAPHCWMIGPMT-UHFFFAOYSA-N 460.427 2.414 30 10 JEEE CN[C@@](C#N)(Cn1cnc(I)c1I)C1(C)CC1 2018305579 COJJBCOSTRQZJV-NSHDSACASA-N 456.069 2.374 30 10 JEEE Cn1[nH]c(CCNC(=O)OC(C)(C)C)nc1=NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2183126940 XWDQMGLNPSUPML-UHFFFAOYSA-N 457.384 2.216 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@H]2[C@@H](C(=O)NCc3ccc(B4OC(C)(C)C(C)(C)O4)cc3)[C@H]21 2185151931 RHKOOURZXRAGRG-IPMKNSEASA-N 458.364 2.236 30 10 JEEE C=C(Br)CS(=O)(=O)N1CCN([C@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 2226061890 MDUHDNXOQOZDJS-CABCVRRESA-N 452.415 2.288 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@H]1CNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2247906405 ZFNYBQJYXWPIBS-JSGCOSHPSA-N 458.411 2.239 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](NC(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2255803718 SKFMPPZFFXEYHW-HOTGVXAUSA-N 452.382 2.147 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2CCN(CCCNC(=O)OC(C)(C)C)CC2)C1 2266534858 PAVRBPLYMANKJD-UHFFFAOYSA-N 464.607 2.352 30 10 JEEE Cc1sc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2CO)cc1B1OC(C)(C)C(C)(C)O1 2267117507 SOMJWYHBJKDREE-HNNXBMFYSA-N 466.409 2.410 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1COCCN1C(=O)OC(C)(C)C 2267127317 IFURPSGVCPEDHK-CQSZACIVSA-N 467.397 2.116 30 10 JEEE COC(=O)[C@H](CCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)NC(=O)OC(C)(C)C 2267137670 OPNOFRQUFNSFIQ-AWEZNQCLSA-N 468.381 2.234 30 10 JEEE C=C(CS(=O)(=O)NC[C@@H]1C[C@H]2OCC[C@@H]2N1C(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2267726493 BLQFKQREUCJQNL-YESZJQIVSA-N 472.413 2.260 30 10 JEEE CC1(C)OB(c2cc(NCCn3cc(I)cn3)ccc2N)OC1(C)C 2267824579 KFEZXFZUXDHCLT-UHFFFAOYSA-N 454.121 2.481 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1COCCN1C(=O)c1cc(F)ccc1B1OC(C)(C)C(C)(C)O1 2281780632 YJBPNUXLLJJBLJ-MRXNPFEDSA-N 464.343 2.491 30 10 JEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NCC1(CCO)CN(C(=O)OC(C)(C)C)C1 2281801301 CSLYYWZOSCXPJX-UHFFFAOYSA-N 464.368 2.237 30 10 JEEE Cn1nc(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)cc1B1OC(C)(C)C(C)(C)O1 2281965374 JIUUQATZMPQXEJ-XHSDSOJGSA-N 460.384 2.237 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@]2(CCNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2281985688 LJKUNPIIPNQZIG-WNSKOXEYSA-N 460.384 2.476 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2CN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)C[C@H]21 2281987409 ZJIYCABEBHJZOI-BZUAXINKSA-N 460.384 2.474 30 10 JEEE Cc1ccnc(C(=O)N2CCC[C@H](NC(=O)C(F)(F)F)[C@H]2C)c1B1OC(C)(C)C(C)(C)O1 2281999675 GNHOWJQSQZGNRL-KGLIPLIRSA-N 455.286 2.361 30 10 JEEE Cn1nc(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)c1Cl 2282049599 BOILBHANAQXVEN-QWHCGFSZSA-N 486.781 2.450 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](O)CN1C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2282141455 AOXPJAFJSJYYBK-JKSUJKDBSA-N 464.343 2.225 30 10 JEEE COC(=O)[C@@H](CCNC(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1)NC(=O)OC(C)(C)C 2282178505 NXHCTOLODABFSA-QGZVFWFLSA-N 462.352 2.172 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](CO)[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)CC1 2282193928 SNGYMTPCUDZFKU-NVXWUHKLSA-N 463.384 2.052 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@]2(NS(=O)(=O)c2ccc(F)cc2B2OC(C)(C)C(C)(C)O2)C1 2282513119 XUGHFBQBPJPPEH-PEBXRYMYSA-N 482.383 2.413 30 10 JEEE Cc1nn(C)c(C(=O)NC[C@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2282562097 XDABTCWGBVSTDZ-CVEARBPZSA-N 462.400 2.451 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1N(C(=O)OC(C)(C)C)CC1(C)C 2282587921 QGFBKFNNKJJCCH-OAHLLOKOSA-N 462.400 2.403 30 10 JEEE Cc1c(C(=O)N[C@@H](C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282592576 FIBWTWNTTKZPSC-HOCLYGCPSA-N 462.400 2.403 30 10 JEEE Cc1cnc(C(=O)NCC2CCN(C(=O)C(F)(F)F)CC2)c(B2OC(C)(C)C(C)(C)O2)c1 2282645254 QTVLVRDFVXUSLE-UHFFFAOYSA-N 455.286 2.220 30 10 JEEE CC(C)(C)OC(=O)NCCOCCOCCNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282667856 BMBDUELCYWJYOF-UHFFFAOYSA-N 484.424 2.335 30 10 JEEE COC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn1C 2282681852 HXCTVPRDOXMCAJ-KRWDZBQOSA-N 463.384 2.032 30 10 JEEE CN([C@@H]1CCCN(Cc2ccccc2)C1)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282851701 FZCDHRKZDSRNDB-LJQANCHMSA-N 474.436 2.004 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1NC(=O)[C@@H]1COC[C@H]1NC(=O)OC(C)(C)C 2283964713 PYFJJVYMERFSHV-NVXWUHKLSA-N 462.352 2.473 30 10 JEEE C[C@@H](c1cscc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C 2283980125 WPSKVXYSEDVILD-BBRMVZONSA-N 481.424 2.335 30 10 JEEE CC(C)(C)OC(=O)NC1(C(=O)NCc2cc(B3OC(C)(C)C(C)(C)O3)ccc2F)CC(O)C1 2284058205 JKYURNKISDERDA-UHFFFAOYSA-N 464.343 2.159 30 10 JEEE Cc1cc(CNC(=O)[C@]2(NC(=O)OC(C)(C)C)C[C@@H](O)C2)ccc1B1OC(C)(C)C(C)(C)O1 2289570505 NNFCGGCGSNSDBT-SMQSCJQKSA-N 460.380 2.329 30 10 JEEE COc1ccc([C@@H]2C(=C(O)c3cnc(C)nc3C)C(=O)C(=O)N2CCCN(C)C)cc1OC 2296624468 ATEXPXQPPZIGNR-OAQYLSRUSA-N 454.527 2.484 30 10 JEEE COC(=O)c1[nH]c(C)c(C(O)=C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(OC)cc2)c1C 2297060460 ZKSAJAQWEMSEFF-HXUWFJFHSA-N 455.511 2.410 30 10 JEEE CC(=O)NCc1nnc(SCC(=O)Nc2ccccc2F)n1N=Cc1ccccc1C(=O)O 2330718931 UIRQHUCSKGQKIK-UHFFFAOYSA-N 470.486 2.365 30 10 JEEE CN1CC[C@@](CNC(=O)OC(C)(C)C)(Oc2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)C1 2345678747 VWQYASPEDQEISZ-QFIPXVFZSA-N 451.348 2.498 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(OCCN2CCN(C(=O)OC(C)(C)C)CC2=O)n1 2362187749 HXXGJOCALLDHGI-UHFFFAOYSA-N 461.368 2.147 30 10 JEEE C[C@@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)C[C@]1(C)CNC(=O)OC(C)(C)C 2362356452 HQNRQIBQCQMQFW-CMJOXMDJSA-N 462.400 2.342 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@H]1CNc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2365057982 UUYBAMTYIVQKDW-LMMKCTJWSA-N 461.368 2.479 30 10 JEEE CCNS(=O)(=O)c1ccc(NC(=O)CSc2nc(N/N=C/c3ccc(OC)cc3)n[nH]2)cc1 9695125 VABLXZHDDQLPIE-CIAFOILYSA-N 489.583 2.288 30 10 JEEE C=CCc1cccc(/C=N/Nc2nc(SCC(=O)Nc3ccc4c(c3)C(=O)NC4=O)n[nH]2)c1O 21075844 BJFOTWZZGSKGDI-AUEPDCJTSA-N 477.506 2.299 30 10 JEEE CC(C)c1ccc(N2C(=O)Cc3c2nc(N)c2c(N)nc(N4CCN(CCO)CC4)c(C#N)c32)cc1 25463618 CGFOHOBUKYTJFM-UHFFFAOYSA-N 486.580 2.124 30 10 JEEE COc1ccc(OC)c([C@H]2/C(=C(/O)c3ccc([N+](=O)[O-])cc3)C(=O)C(=O)N2CCOCCO)c1 102562247 JCRVIHDCGXIRPK-LCPUNJGISA-N 472.450 2.043 30 10 JEEE CCN(CC)CC(=O)OCC(=O)[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C 118927043 ILZSJEITWDWIRX-CAPKTMDASA-N 473.610 2.450 30 10 JEEE C=CCOC(=O)C1=C(C)N=c2sc(=C3C(=O)N(C)c4ccccc43)c(=O)n2[C@H]1c1cccs1 252669298 HCANCDJJISBDSG-IBGZPJMESA-N 477.567 2.373 30 10 JEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(-c3ccccc3F)o2)c(=O)n1C[C@@H]1CCCO1 514522443 SMLVLIVGDJPKFD-KRWDZBQOSA-N 479.533 2.293 30 10 JEEE COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1[C@@H](C)c1cccs1 522627934 GDHLSYHHTSTEKE-CVEARBPZSA-N 453.589 2.235 30 10 JEEE C[N+](C)=c1ccn(/C(C(O)=C2C=CC(=NS(C)(=O)=O)C=C2)=C(/S)NCCc2ccccn2)cc1 728556303 IESBPJVYDKMSBH-UHFFFAOYSA-O 498.654 2.142 30 10 JEEE COC[C@H](C)N=c1scc(-c2ccc(O)c(C(N)=O)c2)n1N=Cc1cnn2ccccc12 729631090 JAWOGJDCLBSPLL-AWEZNQCLSA-N 450.524 2.487 30 10 JEEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2[nH]nc3c2c(C)nn3Cc2ccc(F)cc2)c1 915659959 KHBZRHCVOFPEQO-UHFFFAOYSA-N 466.498 2.419 30 10 JEEE COC(=O)c1ccc(C=NNc2nnc(SCCC(=O)Nc3cccc(OC)c3)n2N)cc1 1084370483 VUJRSSIKGCLQAQ-UHFFFAOYSA-N 469.527 2.354 30 10 JEEE COc1cc(CNC(=O)CSc2n[nH]c(NN=Cc3ccc(O)cc3O)n2)cc(OC)c1 1084598213 RTZIYEKAAVWPRB-UHFFFAOYSA-N 458.500 2.088 30 10 JEEE C=CCn1c(S)nnc1Cc1csc(NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)n1 1143259175 HFNNFWGQORRGAA-WMLDXEAASA-N 455.569 2.353 30 10 JEEE N#Cc1cc(F)c(S(=O)(=O)NC2CCN(S(=O)(=O)Cc3ccccc3)CC2)c(F)c1 1209910052 HHOXXQLRXCASDW-UHFFFAOYSA-N 455.508 2.109 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCC[C@@]3(CCOC3)O2)c1 1286308683 LPYOEXTYFNANGU-LVXARBLLSA-N 494.596 2.201 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1CCCS1)[C@H]1CCS(=O)(=O)C1 1286382421 JFSQBPCLTRDJCZ-PXNSSMCTSA-N 476.624 2.485 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@](C)(O)c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1286387944 XAVVCFKRXWAOBC-XXBNENTESA-N 469.542 2.014 30 10 JEEE C#CCN(c1nnc(COc2ccccc2CC)n1Cc1cnn(CC)c1)[C@H]1CCS(=O)(=O)C1 1286398536 YEYMALMESASRRD-NRFANRHFSA-N 482.610 2.311 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1CCCN(C(C)=O)C1 1286456984 BZQSTTXSIJIMRW-HXUWFJFHSA-N 487.004 2.206 30 10 JEEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2C#N)CC1 1286537536 FEEDGZSLPKWYMA-MRXNPFEDSA-N 456.348 2.336 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1scnc1C 1286546242 HUNDNOBCWWRPRV-VYDXJSESSA-N 454.622 2.271 30 10 JEEE C=C(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1286584616 JRRBWHHSHNMWOZ-UHFFFAOYSA-N 499.597 2.363 30 10 JEEE C=C(C)Cn1c(COc2cc(C)ccc2C)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1286601095 JHLOAUREHAZKKS-UHFFFAOYSA-N 454.575 2.223 30 10 JEEE C=C(Cl)Cn1c(-c2ccc[nH]2)nnc1N1C[C@@H]2[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1286624997 GGOOBVDGDYQBJN-VNQPRFMTSA-N 482.994 2.152 30 10 JEEE CC(C)(C)C(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2ncccn2)CC1 1286985996 HVAIGALLXAMNJK-UHFFFAOYSA-N 489.584 2.008 30 10 JEEE CC(C)[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1287144461 HOVFRKYOQQHHMO-QFIPXVFZSA-N 460.604 2.084 30 10 JEEE Cc1cccnc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1290223693 ARZLPPLJUJSLJC-UHFFFAOYSA-N 451.556 2.040 30 10 JEEE COc1cccc([C@H](NC(=O)CCn2cc(C#N)c(O)nc2=O)c2cc(F)ccc2OC)c1 1294454957 GNDSDYBMSFGZQD-NRFANRHFSA-N 452.442 2.273 30 10 JEEE CNC(=O)[C@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2csc(COC)n2)C1 1299031788 BBOKPUWVQBCRTB-HSZRJFAPSA-N 481.582 2.342 30 10 JEEE C#CCCCn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1300417222 QCEGXJRAXBYUJI-MRXNPFEDSA-N 459.476 2.435 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1CC1(C)COC1)[C@H]1CCS(=O)(=O)C1 1300485125 ULQRMJIHFWHQRI-MOPGFXCFSA-N 488.610 2.480 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(Br)cc2)n1CCN/C(O)=C1\N=CC=CC1=O 1300516426 OIRSSBWLDKJKEM-XUTLUUPISA-N 479.338 2.307 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(F)(F)F)c1 1300671475 JOLPSEUZGFZYSR-INIZCTEOSA-N 456.490 2.333 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 1300732278 AFXIESKTZFJZCZ-UHFFFAOYSA-N 489.605 2.183 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(Cl)c2c(c1)OCCO2 1300780215 MNVCYCPOLYUJSD-LHSJRXKWSA-N 479.990 2.353 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCCC1(F)F 1300805849 JOVSRHYYZHZQCJ-MBOZVWFJSA-N 471.574 2.429 30 10 JEEE COCC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCC[C@@H]2C)CC1 1300903251 GVRYKJYGPYEIPN-SFHVURJKSA-N 451.575 2.032 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCNC(=O)C2CC2)C1 1301534645 CUGZLDKBSREPPF-HXUWFJFHSA-N 452.559 2.455 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1301576166 APQYNYCUQWTYKV-DYESRHJHSA-N 450.561 2.222 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1301596170 JNKKAWKAKQORKX-PWRODBHTSA-N 495.690 2.099 30 10 JEEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2C[C@H](C)O[C@@H](C)C2)C[C@H]1C 1301890147 IEVFWDSQCMJPRH-FSSWDIPSSA-N 481.645 2.473 30 10 JEEE COCC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N2CCCCCC2)CC1 1315751874 BMVGXZGYOJDQBI-UHFFFAOYSA-N 493.612 2.341 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCc1ccc(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1358961988 ICIRSMQAWHJXQJ-CTNGQTDRSA-N 488.610 2.406 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H](OCC)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1358964005 RGIAAKYZWPVWHJ-QHAWAJNXSA-N 458.584 2.187 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1Cc1snnc1C)[C@@H]1CCS(=O)(=O)C1 1358964734 GKNKHFOBVCUPDC-GOSISDBHSA-N 456.597 2.012 30 10 JEEE C#CCN(c1nnc(COCC)n1C[C@H](C)c1nc(-c2ccccc2)no1)[C@@H]1CCS(=O)(=O)C1 1358967553 MXXYOXDCJHIWDE-PKOBYXMFSA-N 484.582 2.295 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC2CCS(=O)(=O)CC2)CC1 1359036748 HQVDJXBJJUHVRK-UHFFFAOYSA-N 462.019 2.102 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@]2(N(C)C)CCC[C@@H](C)C2)CC1 1359045032 VAIBWGDCWBAQSE-ZJCBTPCYSA-N 456.635 2.258 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2CCOC(C)(C)C)CC1 1359047185 VKJBESWBXHXQCD-UHFFFAOYSA-N 472.615 2.051 30 10 JEEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1359057913 MHAAHYXXTMCCFC-OAHLLOKOSA-N 486.552 2.045 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N(C)C1CCC(NC(C)=O)CC1 1359103124 KHPRFYRJTWLRAH-VKDVSPNTSA-N 458.607 2.265 30 10 JEEE C=C(C)COCCn1c(-c2cccc3cccnc23)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1359129876 QGSQTCXCVVCBBP-UHFFFAOYSA-N 491.596 2.259 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCOC[C@@H]1OC 1359263852 NWWSOGUBDQMTPW-LMMKCTJWSA-N 466.629 2.486 30 10 JEEE C=CCNC(=O)Cn1c(-c2sc3ccccc3c2Cl)nnc1N1CCN(S(C)(=O)=O)CC1 1359293113 HPEFESQAJDHIJP-UHFFFAOYSA-N 495.030 2.197 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N(C)Cc1nc(O)c2ccccc2n1 1359330493 UCVQUZOWCFWNIT-UHFFFAOYSA-N 465.539 2.226 30 10 JEEE C=CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1359338559 ZXCBJWJGKIMGRK-QZTJIDSGSA-N 493.611 2.229 30 10 JEEE CC[C@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@@H]1CCCN1CCCO 1495771515 APKGVFVHKSFLII-UFYCRDLUSA-N 467.622 2.015 30 10 JEEE CCCNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1501156649 BWQCQMGMSMIJLK-UHFFFAOYSA-N 473.585 2.467 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@H]2CCC[C@H]2C)CC1 1507718971 XNQROQVGTJVTDK-CTNGQTDRSA-N 470.643 2.387 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2Cc2cc(COC(C)(C)C)on2)CC1 1507741065 KJBQZEQJOZAEFB-HXUWFJFHSA-N 470.574 2.447 30 10 JEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](CNC(=O)c2ccccc2)C1 1507753670 HXUNZZJIZMSXCU-AZUAARDMSA-N 466.611 2.242 30 10 JEEE C=C(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1507836330 HELIMYGJMBKXPJ-VAMGGRTRSA-N 481.663 2.404 30 10 JEEE C=C(Cl)Cn1c(N2CCN3C(=O)N(CC)C(=O)[C@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1507872297 CQFHUZRPBKZEBR-OWCLPIDISA-N 493.996 2.274 30 10 JEEE C=CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCNC(=O)c1cc[nH]n1 1507979670 BUKUOIOJSDSRTJ-UHFFFAOYSA-N 458.567 2.168 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCC(O)(c3ccccc3)CC2)nnc1[C@]1(OCC)CCOC1 1508147977 DTXACKXBKSQWDJ-DEOSSOPVSA-N 490.626 2.019 30 10 JEEE C=CCSCCn1c(Cc2cccnc2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1508161559 GABRJLODGAURLZ-DENIHFKCSA-N 469.659 2.172 30 10 JEEE C=CCOc1cc(OC)ccc1C(=O)NCc1ccccc1S(=O)(=O)N1CCN(C)CC1 1521415576 DIRKGYPGFRNHMU-UHFFFAOYSA-N 459.568 2.126 30 10 JEEE C#CCCCCn1c(C2CC2)nnc1N1C[C@@H]2[C@H](C1)[C@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1539068322 STOAFUJNHXFBSA-KZNAEPCWSA-N 463.604 2.086 30 10 JEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1539102020 QBJNVJLDEWDIOB-LJQANCHMSA-N 488.614 2.324 30 10 JEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1CCCC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1539219519 KXHUHGRVWDAHEY-LJQANCHMSA-N 478.018 2.017 30 10 JEEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1539230539 NSTOAFKKEDYGEX-AWEZNQCLSA-N 458.462 2.055 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCc1sc(C)nc1C)[C@@H]1CCS(=O)(=O)C1 1539231686 WUMVDZSIEZJWLK-LJQANCHMSA-N 487.655 2.082 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@]2(O)CCOC2)CC1 1539461764 LDPVCXSWKMFYOL-RUZDIDTESA-N 453.587 2.061 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OCC)n2Cc2cc(C)nn2C)CC1 1539489019 FQCSOXMHYHZJAO-UHFFFAOYSA-N 491.596 2.312 30 10 JEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCCN(C(=O)c2cccc(F)c2)CC1 1539489357 LQJLVEOLHDTDML-UHFFFAOYSA-N 484.601 2.372 30 10 JEEE COc1ccc(S(=O)(=O)C[C@H](C)C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)cc1 1540510656 CYTCLLWKPRDSOC-HNNXBMFYSA-N 458.540 2.191 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1C[C@H]1CCCO1 1541670830 GDPHVOAWNDFTDN-OAQYLSRUSA-N 451.575 2.179 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCC1CC(OC(C)(C)C)C1 1541927255 HCNJPQBAXVMTSY-LJRKYQKZSA-N 456.588 2.314 30 10 JEEE N#Cc1sc(NC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@@H]2CCCO2)C3=O)nc1Cl 1544536509 HZBCZFZEPGDCET-JTQLQIEISA-N 452.901 2.244 30 10 JEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC[C@](O)(c4ccc(F)cc4)C3)CC2)cc1 1566938179 FIJMNEFSNZXSSQ-HSZRJFAPSA-N 457.527 2.218 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2CC=CCO2)c1 1587697360 ORQCRGDHTRILAI-WPYKKVEZSA-N 465.554 2.403 30 10 JEEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(CC(N)=O)CC1 1587718292 BMAVDOTVOVNFHV-UHFFFAOYSA-N 472.615 2.091 30 10 JEEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](N2CCCC2=O)C1 1587861032 GDMUSESZXKLVLV-RTBURBONSA-N 472.590 2.201 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1CCCN1C[C@H](C)O[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1588045440 KTIUFRHMXDBTCU-FDFHNCONSA-N 485.654 2.380 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@]1(O)CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1588058718 BBPFLSLZJCSYKN-DHJUGAMNSA-N 460.575 2.186 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1(C)COC1)[C@H]1CCS(=O)(=O)C1 1588075156 ZFZVGFLEESDWPU-ROUUACIJSA-N 493.630 2.013 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1588099158 IIGFJSRDLNFSFO-WOJBJXKFSA-N 483.638 2.309 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2CCCN2CCN(CC)CC2)CC1 1588955389 WQRYAGBLIXHAJJ-UHFFFAOYSA-N 469.678 2.004 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2C[C@H]2CN(CC(C)C)CCO2)CC1 1588955451 XNPOIKFFXSZDEK-HSZRJFAPSA-N 470.662 2.333 30 10 JEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(N2CCc3ccccc32)CC1 1588985042 NQEBNIVTSHGADB-GOSISDBHSA-N 488.683 2.286 30 10 JEEE C#CCSCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1589036914 QMVSIEPJGCLAGV-OAHLLOKOSA-N 491.415 2.296 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(N(C)C)Cc2ccccc2C1 1589590177 UIRQMBREZRMXDF-SFHVURJKSA-N 460.648 2.390 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](c2nc(C)cs2)C1 1593636152 IFZLEPFIBGQOPO-DLBZAZTESA-N 466.633 2.336 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCCS1(=O)=O 1595133420 GMHQJZJZRATWFA-RBUKOAKNSA-N 496.630 2.479 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1595812195 PFEIYHOUXDCZPU-UHFFFAOYSA-N 488.017 2.240 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CC[C@H](C)[C@@H](OC)C1 1595822024 FYJXATSEFZURCA-LPHOPBHVSA-N 452.552 2.458 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCC(c3nccs3)CC2)nnc1[C@@]1(OCC)CCOC1 1595831155 MHYJMBWYOWOSCW-OAQYLSRUSA-N 481.644 2.372 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](c2ccccc2F)C1 1595837973 HMYANIQUFQIXLJ-RTBURBONSA-N 450.536 2.447 30 10 JEEE C[C@@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](C#N)C1)c1nccs1 1611498352 BXPZBAKIBUTFSS-HOCLYGCPSA-N 458.569 2.338 30 10 JEEE C=CCN(C(=O)c1cnn2c1C[C@@H](CNC(C)=O)CC2)[C@@H](Cc1ccccc1)C(=O)OCC 1625220131 FGNIKYRZBWVTFA-REWPJTCUSA-N 452.555 2.384 30 10 JEEE COc1ccc(OC)c([C@H](O)[C@@H](C)NC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1 1634918149 AYIMJHMVOPQLSX-UPKQVVFYSA-N 452.511 2.098 30 10 JEEE C#CCN(C(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1)C1CCN(C)CC1 1639164885 BRFSJSFOHFKTHB-VWLOTQADSA-N 458.562 2.056 30 10 JEEE C=C[C@H](CO)NC(=O)c1cc(O)nc2ccc(S(=O)(=O)Nc3ccc(OCC)cc3)cc12 1642069001 ADXUPWDCVJLAJX-CQSZACIVSA-N 457.508 2.417 30 10 JEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@]2(CC(=O)c3ccccc3O2)C1 1645462578 BDZZVRHNYAYMIR-MWTRTKDXSA-N 453.520 2.252 30 10 JEEE C=CCN(Cc1ccccc1)S(=O)(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 1666345842 ZPQBVMOLHLSKPA-UHFFFAOYSA-N 450.582 2.393 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H](c1ccccc1)N1CCOCC1 1689832007 VMYJBCXAIPWIIX-NIRIFSCTSA-N 453.587 2.462 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1COCCC 1689852831 LERKRWILGUVCSG-RXVVDRJESA-N 475.615 2.044 30 10 JEEE C#CCCCn1c(-c2ccc(C)o2)nnc1N1C[C@@H]2[C@@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1689919180 FPOYRCSJWFVHKH-AOIWGVFYSA-N 489.598 2.386 30 10 JEEE C#CCN(c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H](C)SC)[C@@H]1CCS(=O)(=O)C1 1689989699 HYKVYDVSLYWZHA-MDZRGWNJSA-N 462.597 2.169 30 10 JEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1C[C@@H]1CCC[C@H](O)C1)[C@H]1CCS(=O)(=O)C1 1689993680 JLISDEYUXDZLNJ-FSSWDIPSSA-N 486.638 2.250 30 10 JEEE C#CCSCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1690165850 LICRUTZIPYSKLQ-QHCPKHFHSA-N 455.584 2.435 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1CCN1CCN(C)C(C)(C)C1 1690195777 PKTSDSOVBMWGJG-RPBOFIJWSA-N 458.651 2.337 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(C)CN(C)C1=O 1690206489 SKIFDFAZDIZQBI-YRUKQIKQSA-N 472.590 2.057 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCCNC(C)=O 1690210736 KEFBAJZNDPZAGW-AREMUKBSSA-N 463.630 2.161 30 10 JEEE C=C(C)COCCn1c(N2C[C@H](C)O[C@]3(CCOC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1690320551 WWTFEBNZWPVWBU-PMOQBDJRSA-N 450.580 2.296 30 10 JEEE C=C(Cl)Cn1c(-c2cc(Br)cn2C)nnc1N1CCc2nn(C)c(=O)cc2C1 1690330594 JZNUFJHZNKQBOM-UHFFFAOYSA-N 464.755 2.455 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCS(=O)CC1 1690715760 UBRZBVCKLFGWGM-HNNXBMFYSA-N 473.020 2.241 30 10 JEEE CC(C)NC(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@](C)(C#N)C1 1692550585 CWIVWCPFQMIPQW-XMMPIXPASA-N 465.606 2.497 30 10 JEEE CN(C)C(=O)[C@@H]1CCCN1CCCn1c(-c2cccn2C)nnc1N1CCC[C@](C)(C#N)C1 1696577790 BLOZNFFCLDASQH-GBXCKJPGSA-N 452.607 2.356 30 10 JEEE C#CCCCn1c(-c2cc(F)ccc2Br)nnc1N1CCN(S(C)(=O)=O)CC1 1705526011 CDRQNIJKBMUOMG-UHFFFAOYSA-N 470.368 2.342 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCC[C@@H](O)C1)[C@@H]1CCS(=O)(=O)C1 1705561967 WHAZOZIOYBPWIO-NSISKUIASA-N 473.555 2.031 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCCN1C[C@@H](C)C[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1705566565 ODVXLTVEAYFOEC-MBDNFAEBSA-N 477.675 2.167 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCc2cccc(C)n2)CC1 1705781951 KYQRQAADODWNKN-OAQYLSRUSA-N 474.631 2.350 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC=C(c2ccc(O)cc2)CC1 1705909393 VXHOXWONKKBTJC-UGKGYDQZSA-N 453.543 2.304 30 10 JEEE C=CCOc1ccc(Cn2c(N3CCC[C@H](C(N)=O)C3)nnc2[C@]2(OCC)CCOC2)cc1 1705911007 VOQJGDKXEVIAAW-CYFREDJKSA-N 455.559 2.245 30 10 JEEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccccc2OC)CC1 1705944230 YYDNFHUFPYYUGG-LJQANCHMSA-N 456.616 2.479 30 10 JEEE CCCOc1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@@H](CNC(C)=O)C2)cn1 1709861322 DNYIMBLCMJERKJ-QFIPXVFZSA-N 475.553 2.390 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1CCc1nccc(C(F)(F)F)n1)[C@H]1CCS(=O)(=O)C1 1722360738 JILYWLQYFANGNX-HNNXBMFYSA-N 491.499 2.018 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1CC[C@H](OC)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1722364082 DSZXPIZRSIAFMB-HOTGVXAUSA-N 491.561 2.228 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCCC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1722367014 KCDAXHYTAKQFDK-FQEVSTJZSA-N 457.600 2.482 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(Br)c2)n1Cc1nnnn1CC1CC1 1722377055 NHGCMADBMNCSKO-UHFFFAOYSA-N 481.358 2.234 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CC1(c2ccccc2C)CCOCC1 1722446722 JSPQOIDLIYTQBK-OAQYLSRUSA-N 451.571 2.372 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(C)nn1C 1722656208 ABVKQRYYSNEUOL-FQEVSTJZSA-N 465.583 2.335 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](c2ccc(Cl)cc2)C1 1722691539 QZZRUXYKFZPCIM-GOSISDBHSA-N 481.944 2.459 30 10 JEEE COc1cc(Cl)ccc1-c1nnc(N2CC[C@](F)(C#N)C2)n1CCN1CCN(C(C)=O)CC1 1729995332 HTOVOENOSTZWII-QFIPXVFZSA-N 475.956 2.213 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1Cc1ccccc1CN1CCC[C@@H]1CO)[C@H]1CCS(=O)(=O)C1 1740617836 XWMAKXOHSKNUAJ-HUVFLSCGSA-N 499.681 2.423 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCN1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1740621194 UOYNYMHEEFYQBB-JOCHJYFZSA-N 466.611 2.175 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccc(OC(F)(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 1740621305 LHMMOXNRBWITCJ-QGZVFWFLSA-N 494.499 2.252 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CCCn1cc(Br)cn1 1740629363 KXKLZNOGIKJLED-UHFFFAOYSA-N 467.331 2.048 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)cc1SC 1740671832 PSWLGYLXPQHYFQ-GOSISDBHSA-N 463.629 2.149 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@@](C)(O)CCOC)CC1 1740693304 WSEAWCQEUJDWAP-NRFANRHFSA-N 462.392 2.250 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[C@@H](C)c2ccccc2)CC1 1740701725 BWLAJHRTQXCVRK-MOPGFXCFSA-N 486.642 2.048 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCOCC(F)F)CC1 1740702849 AIDJOGBFFQUVOH-UHFFFAOYSA-N 485.333 2.283 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[S@](=O)C(C)(C)C)CC1 1740703273 MHGLDKKYCRKPDB-UMSFTDKQSA-N 486.598 2.366 30 10 JEEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1740723923 WLQDYZIGXCAMQI-RTBURBONSA-N 483.704 2.423 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc([S@](C)=O)cc1 1740751151 HYOWVZCRWOIUBA-HNSICJEUSA-N 495.671 2.243 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)CCC1CCOCC1 1740752650 YVVHIIVYZKDBJX-UHOSZYNNSA-N 455.625 2.122 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1740762279 CRCAOLPBXHPCIV-WAOWUJCRSA-N 474.606 2.485 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCC(S(=O)(=O)CC)CC2)nnc1[C@@]1(OCC)CCOC1 1740767572 PQKKZZBCURTUKB-GREBRCKQSA-N 482.647 2.315 30 10 JEEE C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN([C@@H](C)c2nc(CC)no2)CC1 1740777481 DLJZZJWVCYCJDC-INIZCTEOSA-N 451.535 2.330 30 10 JEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cnc(C(C)C)nc1 1740875922 MRBRSZYUZNZVJW-SFHVURJKSA-N 463.608 2.127 30 10 JEEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(CCC(C)(C)C)CC1 1740960465 SADJLKKEAPSCQA-UHFFFAOYSA-N 495.676 2.313 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1740992143 BIRSWDFPEAADOR-PKOBYXMFSA-N 478.018 2.180 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCCN(c3ccccc3)CC2)nnc1[C@]1(OCC)CCOC1 1740994076 MBEHNBLHFLEXJO-DEOSSOPVSA-N 489.642 2.248 30 10 JEEE COC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2C[C@H](C)O[C@H](C)C2)CC1 1748352968 ICKVPPXNXFXGBO-BGYRXZFFSA-N 497.600 2.116 30 10 JEEE C#CCCCn1c(Cc2ccccc2OC)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1748756673 RBKURSOYIKYEJB-UHFFFAOYSA-N 450.587 2.035 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H](C1CC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1748802880 SOWMPBIVGRUPLA-VXKWHMMOSA-N 498.653 2.114 30 10 JEEE C#CCN(c1nnc([C@@H](C)CC)n1CCc1ccc(S(C)(=O)=O)cc1)[C@H]1CCS(=O)(=O)C1 1748804327 FWPLFBKRXRTVEX-HKUYNNGSSA-N 478.640 2.065 30 10 JEEE C#CCN(CC#C)c1nnc(CCOc2ccccc2)n1C[C@]1(N2CCOCC2)CCSC1 1748851734 LLVOHGHCXMSQPU-RUZDIDTESA-N 465.623 2.180 30 10 JEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCc2ccc(OC)c(OC)c2)CC1 1748994488 IZBWTZVBTGIXRJ-UHFFFAOYSA-N 463.586 2.155 30 10 JEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)c2ccc(C)cc2)CC1 1749020460 UBSMUKCKIAFUTL-UHFFFAOYSA-N 454.600 2.054 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1CC(F)(F)C1 1749129662 GEYBFFPJOABYDM-SQNIBIBYSA-N 489.589 2.074 30 10 JEEE C=C(C)COCCn1c(COc2ccc(C)cc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1749239459 KMYGQAWMHIELGR-UHFFFAOYSA-N 450.543 2.415 30 10 JEEE C=CCOc1ccccc1Cn1c(N2CC[C@H](C(N)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1749690110 RBGQUKVLAXGQAJ-YADARESESA-N 455.559 2.243 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1749723786 BMVPGVXOMTVNJL-IBGZPJMESA-N 488.570 2.045 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1749734047 DPWITKQQDGFYPY-UHFFFAOYSA-N 463.604 2.250 30 10 JEEE CC(C)(O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1750529784 BTVXJYAJMGFQIR-MRXNPFEDSA-N 450.465 2.483 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OCC)CCOC3)n2CC2([S@](C)=O)CCC2)c1 1760124836 BMXPXMJYEGIPPM-LHAPQZOASA-N 499.637 2.288 30 10 JEEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(F)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 1760180308 BYNCSHUTXHPAKF-VGOFRKELSA-N 496.992 2.398 30 10 JEEE C#CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1760277219 DLPKZYDPBYPWTR-KRWDZBQOSA-N 462.597 2.096 30 10 JEEE C#CCSCCn1c(N(C)[C@H](C)CC(N)=O)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1760286825 WLPGIRYWGXQYCF-OAGGEKHMSA-N 450.609 2.115 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1CCNS(=O)(=O)c1ccc(C)s1 1760287724 CRJXBCWJXMIYGH-JOCHJYFZSA-N 499.622 2.266 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C(C)C)N1CCCC1 1760336742 IEFUWJPPSHODBJ-UXHICEINSA-N 468.668 2.134 30 10 JEEE C=CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCS(=O)(=O)N(C)C)C1CC1 1760475729 RQZBDWKQRIEUNL-IYBDPMFKSA-N 468.624 2.095 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@](F)(C#N)C1 1760555785 NJSPJFKLOFOVOE-HTAPYJJXSA-N 496.609 2.435 30 10 JEEE C=CCSCCn1c([C@H]2CCCCO2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1760565211 QXBXCLUJRZWVDS-HXUWFJFHSA-N 490.674 2.379 30 10 JEEE CN(C)C(=O)CCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(CC#N)CC1 1768438854 DJVGPJLBTQKKMU-UHFFFAOYSA-N 465.606 2.451 30 10 JEEE CSc1cc(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CC(=O)N2CCOCC2)ccn1 1771422867 HJNGEOPXSNQWDO-UHFFFAOYSA-N 463.567 2.277 30 10 JEEE COc1cc([C@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2CCCNC=O)cc(OC)c1O 1862421762 PDOBCZXYPUYMKA-IBGZPJMESA-N 476.432 2.402 30 10 JEEE COc1cc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCO)ccc1OCCN1CCOCC1 1862487151 UKZCJKDYLOUDFJ-XMMPIXPASA-N 496.560 2.285 30 10 JEEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1cccc([N+](=O)[O-])c1 1862609743 UOCJRHGIRRGNTB-HXUWFJFHSA-N 467.434 2.080 30 10 JEEE CSCC[C@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)N1CCN(c2ccc(F)cc2)CC1 1869929716 LCUUCVXWTJGFFZ-IBGZPJMESA-N 476.599 2.335 30 10 JEEE C=CCOc1ccccc1OCC(=O)Nc1nc(N2CCC(C(N)=O)CC2)nn1C(C)(C)C 1870063871 ZVKSSVRUWOHOME-UHFFFAOYSA-N 456.547 2.317 30 10 JEEE C=CCNC(=O)C1CCN(C(=O)[C@@H]2CC(=O)N(C3CCN(Cc4ccccc4)CC3)C2)CC1 1872953904 ODQPSYKCGCMZCM-JOCHJYFZSA-N 452.599 2.040 30 10 JEEE C=CCn1c(C(=O)N2CCN(C)CC2)cc2c(N3CCN(c4ccc(F)cc4)CC3)ncnc21 1873561140 GYGVJVJOWZGBDJ-UHFFFAOYSA-N 463.561 2.471 30 10 JEEE Cc1nn(C)c(C(=O)N[C@H]2CCN(C(=O)OCc3ccccc3)C2)c1B1OC(C)(C)C(C)(C)O1 2255824555 JXXDZSDMFBUQHG-SFHVURJKSA-N 468.363 2.169 30 10 JEEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2256639777 PQVRSZFKLCHPNO-CHWSQXEVSA-N 452.386 2.091 30 10 JEEE CN(CCCCN(C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1)C(=O)OC(C)(C)C 2267190671 RVDQJKHQDCRFBO-UHFFFAOYSA-N 450.389 2.438 30 10 JEEE C[C@@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2267378378 OMCOCRDJRIEROS-PBHICJAKSA-N 467.397 2.057 30 10 JEEE C[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1nn(C)c(Cl)c1B1OC(C)(C)C(C)(C)O1 2267500712 MOQYNOIOPNHGRN-ZDUSSCGKSA-N 468.791 2.454 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2csc(B3OC(C)(C)C(C)(C)O3)c2)[C@H]2COC[C@H]12 2267561120 LRFITZUQVYRCNH-OAGGEKHMSA-N 464.393 2.411 30 10 JEEE CC(C)(C)OC(=O)NC1CC(O)(CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2281789509 NGKQEJODUNZTFP-UHFFFAOYSA-N 464.343 2.273 30 10 JEEE CCc1nn(C)c(C(=O)N[C@@H]2C=CCN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2281976423 BFLLRNHRZQYCON-OAHLLOKOSA-N 460.384 2.187 30 10 JEEE Cc1c(C(=O)N2CC(CCCNC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281978346 BQIYPZRMMPGDMO-UHFFFAOYSA-N 462.400 2.405 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CC12CCC2 2282024677 DSJDRQOZYDGYAN-MRXNPFEDSA-N 458.368 2.438 30 10 JEEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)C1 2282044593 UUNXHDKSBHSTNA-HZPDHXFCSA-N 462.400 2.485 30 10 JEEE CC1(C)OB(c2cncc(C(=O)NCC3(O)CCN(Cc4ccccc4)CC3)c2)OC1(C)C 2282189021 DULWUBBIBOPFBE-UHFFFAOYSA-N 451.376 2.138 30 10 JEEE CC1(C)OB(c2sccc2CS(=O)(=O)NC[C@@H]2COCCN2Cc2ccccc2)OC1(C)C 2282498114 ZEHLDEWPXJAAFB-HXUWFJFHSA-N 492.472 2.368 30 10 JEEE C[C@H]1C[C@@H](CNC(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)CCN1C(=O)OC(C)(C)C 2282552475 KPFIMPHSCHLCPV-HOTGVXAUSA-N 462.400 2.485 30 10 JEEE Cc1c(C(=O)N[C@@](C)(CNC(=O)OC(C)(C)C)C2CC2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282592779 HUXCBEDYJNOMDQ-QHCPKHFHSA-N 462.400 2.451 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H]3CC[C@H]2[C@@H]3NC(=O)OC(C)(C)C)n1 2282594633 IUIXXVIFYMYKDA-HYVNUMGLSA-N 460.384 2.330 30 10 JEEE COc1ccc(C(=O)NCCOCCNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2282652289 NBSGPRDWACTZFQ-UHFFFAOYSA-N 464.368 2.266 30 10 JEEE Cc1ccc(C(=O)N2C[C@@H](O)C[C@H]2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2282671077 OZVVYGQMJZWCDW-IRXDYDNUSA-N 460.380 2.394 30 10 JEEE C[C@@H](NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)c1cnn(Cc2ccccc2)c1 2282851229 ZECSTJVBGHUZDO-MRXNPFEDSA-N 471.392 2.004 30 10 JEEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@@]3(O)CCCN(Cc4ccccc4)C3)s2)OC1(C)C 2282853452 CYPNDBRFMXTNFD-QHCPKHFHSA-N 492.472 2.353 30 10 JEEE CC(C)(C)OC(=O)NCC12COC(C(=O)NCc3ncc(B4OC(C)(C)C(C)(C)O4)s3)(C1)C2 2284135350 OOGMDPLGWHYYRE-UHFFFAOYSA-N 479.408 2.132 30 10 JEEE Cn1nc(C(=O)N2C[C@H]3C[C@@]3(CNC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2288253381 WSJLYQBPMXXWKN-MCMMXHMISA-N 480.802 2.360 30 10 JEEE COc1cc([C@H]2C(=C(O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN(C)C)cc(OC)c1OC 2296562367 GHYXCKVXLRSMTF-QFIPXVFZSA-N 498.532 2.467 30 10 JEEE CSC1(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CN(C(=O)OC(C)(C)C)C1 2315412428 AVYFTDSOTJCLKJ-UHFFFAOYSA-N 450.370 2.067 30 10 JEEE COc1ccc(N2C[C@@H](c3nnc(SCCO)n3N=Cc3ccc(O)c(OC)c3)CC2=O)cc1 2325882737 JUKOUIALQFUFFA-INIZCTEOSA-N 483.550 2.488 30 10 JEEE CC1(C)OB(c2sncc2C(=O)N2C[C@@H]3OCCN(Cc4ccccc4)[C@@H]3C2)OC1(C)C 2337342049 ALBSHHVMPXOFJC-MOPGFXCFSA-N 455.389 2.168 30 10 JEEE CC(C)(C)OC(=O)N1CCCO[C@H](CNC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C1 2337400951 BENAOWAQLHVZPN-CQSZACIVSA-N 467.397 2.198 30 10 JEEE COCCn1cc(C#C[C@@H](O)[C@@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)cn1 2340457703 MMYOIKYXYQWQBE-RCZVLFRGSA-N 454.571 2.411 30 10 JEEE CO[C@@H]1[C@H](OC)CN(C(=O)OC(C)(C)C)[C@H]1C(=O)N1CC[C@H](B2OC(C)(C)C(C)(C)O2)C1 2342485732 OFXBQGCVQIXXTK-YLFCFFPRSA-N 454.373 2.330 30 10 JEEE Cc1c(C(=O)N[C@H]2C[C@@H]3[C@H]2CCN3C(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2359263052 IPRZEMBMOYYFTM-HRCADAONSA-N 460.384 2.155 30 10 JEEE CN(C[C@H]1CN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CC12CC2)C(=O)OC(C)(C)C 2366024131 RFUURMSMBYPGBW-HNNXBMFYSA-N 460.384 2.428 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@H]2C[C@H](NC(=O)c3ccoc3B3OC(C)(C)C(C)(C)O3)C[C@H]21 2368867415 UODIAGLLYGSIOX-DJIMGWMZSA-N 462.352 2.476 30 10 JEEE Cn1cnnc1Sc1ccc(/C=c2\sc(=C(C#N)C#N)n(-c3ccccc3)c2=O)cc1[N+](=O)[O-] 15911571 HMYJDYLTTSHNQU-GRSHGNNSSA-N 487.526 2.114 30 10 JEEE C=CCNC(=O)CN1CCN(C(=O)c2cc(S(=O)(=O)Nc3ccc(C)cc3)ccc2C)CC1 32274942 SOLHJKKEPXFMCH-UHFFFAOYSA-N 470.595 2.164 30 10 JEEE Cc1nn(-c2ccccc2)c(N(C)C)c1/C=N/Nc1nnc(SCC(=O)Nc2nccs2)n1N 253575718 UYJWRECGWWUQAD-FOKLQQMPSA-N 497.614 2.185 30 10 JEEE N#Cc1ccccc1OC[C@@H](O)Cn1cnc(I)c1I 402364131 YJHKHFUAJILNNX-JTQLQIEISA-N 495.058 2.404 30 10 JEEE C#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](CCC(=O)OC)C(=O)O 757339520 IXLUVBIXHKCEAW-FCHUYYIVSA-N 478.501 2.440 30 10 JEEE COC(=O)c1ccc(C=NNc2nnc(SCC(=O)NC3C4CC5CC(C4)CC3C5)n2N)cc1 1084223347 KKMLWFCTCJITSJ-UHFFFAOYSA-N 483.598 2.258 30 10 JEEE Nn1c(NN=Cc2cc(Cl)ccc2O)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1 1084291185 KEJAYFSDCCPFHE-UHFFFAOYSA-N 462.879 2.436 30 10 JEEE COC(=O)c1ccc(C=NNc2nnc(SCC(=O)Nc3ccc(F)c(F)c3)n2N)cc1 1084334465 CCJUJCXIHBSIGR-UHFFFAOYSA-N 461.454 2.234 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2CCN(C)CC(F)(F)F)c1 1286310358 UMIFFXLCJDAHPZ-UHFFFAOYSA-N 472.475 2.285 30 10 JEEE C#CCCCCn1c(COCC)nnc1N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 1286334788 NHCXNWSFKJFIKX-UHFFFAOYSA-N 455.588 2.010 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1CCC[C@H](O)C1)[C@@H]1CCS(=O)(=O)C1 1286382062 IUGDNCOQJGESGC-RLLQIKCJSA-N 488.610 2.140 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@H]1CCS(=O)(=O)C1 1286405033 ZAYIEGALLAMPFO-GOSISDBHSA-N 456.568 2.248 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCNS(C)(=O)=O 1286406483 VBUFGSPTMNHWMA-UHFFFAOYSA-N 457.556 2.435 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(NC(C)=O)nc1 1286448155 QLYDXANMAQEBAA-IBGZPJMESA-N 483.573 2.448 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CC2CN(C(=O)OC(C)(C)C)C2)CC1 1286489731 ADBCONLBKXPXFX-UHFFFAOYSA-N 493.612 2.481 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1286568178 XYFXCOJNFMWJGM-BXWFABGCSA-N 481.644 2.120 30 10 JEEE C=CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1286700203 FOTYKNUPWMQIIU-SFHVURJKSA-N 499.641 2.407 30 10 JEEE C=CCN(c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCS(=O)(=O)N(C)C)C1CC1 1286736173 BPVMASAMBVSXGN-KRWDZBQOSA-N 482.651 2.439 30 10 JEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1sccc1C)C1CC1 1286736602 GTJSQLYICJSNDT-QGZVFWFLSA-N 451.618 2.378 30 10 JEEE C=CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H](C)N1CCOCC1 1286765909 WIXNCWATHXNVEO-OAHLLOKOSA-N 453.385 2.395 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](c2ccccc2F)C1 1286822917 JBGPUMMOEPOKCF-OAQYLSRUSA-N 488.589 2.458 30 10 JEEE Cc1cc(C)n([C@H]2CCCN(c3nnc(COc4ccc(C#N)cc4)n3CCS(C)(=O)=O)C2)n1 1290585649 FIBRHPGYECRJRE-FQEVSTJZSA-N 483.598 2.428 30 10 JEEE C#CCN(C(=O)C1CC2(C1)C[C@H](NC(=O)OC(C)(C)C)CCS2)[C@H]1CCS(=O)(=O)C1 1291928959 ONDFBHYOORDWEV-NHUHVJRWSA-N 456.630 2.204 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(F)cc2Br)n1CCS(=O)(=O)N(C)C 1300287313 YFQDUWBTVWHOHB-LBPRGKRZSA-N 458.357 2.196 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1CCOc1ccc(Cl)cn1)[C@@H]1CCS(=O)(=O)C1 1300485838 ZJRQQMWIHWPXNQ-MRXNPFEDSA-N 451.980 2.330 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1CCCCN1CCC[C@H]1CO)[C@H]1CCS(=O)(=O)C1 1300487404 JABNCHXUBYYIDQ-VXKWHMMOSA-N 485.654 2.117 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCN(C(C)C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1300501715 NDIQQBUULKKSIN-HXUWFJFHSA-N 478.688 2.379 30 10 JEEE C#CCN(CC)c1nnc(C(=O)NC(CC)CC)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1300595489 CCZDYGCZBVSPQU-SFHVURJKSA-N 453.591 2.324 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CC[S@@](=O)C(C)(C)C 1300664832 VIXILKOXJGZXRY-JGCGQSQUSA-N 456.572 2.227 30 10 JEEE C#CCSCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1300755257 PGYDOXQSYBBAOM-OAQYLSRUSA-N 480.619 2.124 30 10 JEEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1300767059 PQAISKAPGLHJEU-UHFFFAOYSA-N 468.612 2.337 30 10 JEEE C=C(Br)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C(=O)NC)CC1 1300829476 DQYOHMCUSLVURM-UHFFFAOYSA-N 473.173 2.406 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCCS(=O)(=O)C1 1300905388 OZKMOIOYWCIYPQ-GOSISDBHSA-N 495.671 2.423 30 10 JEEE C=C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCS(=O)(=O)N2CCSCC2)CC1 1301074562 BXVDCILNSORGAV-UHFFFAOYSA-N 493.655 2.497 30 10 JEEE COC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(S(C)(=O)=O)CCCC2)C[C@H](C)O1 1301372672 GSDIPLBVIMPUHT-FXAWDEMLSA-N 473.599 2.414 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cccc(C(=O)N(C)C)c2)C1 1301536345 UQKBDHIGBSKDER-FQEVSTJZSA-N 475.553 2.457 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ncccc1C 1301773463 BFXYZTSKTISZHF-NRFANRHFSA-N 480.594 2.457 30 10 JEEE CC(C)(C)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(C(N)=O)CCOCC2)CCO1 1302110379 CGKCRKOONBQSLI-LJQANCHMSA-N 452.559 2.350 30 10 JEEE CC(C)OCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@](F)(C#N)C1 1303555599 AXZQNOMAYKSSMY-HXUWFJFHSA-N 450.540 2.062 30 10 JEEE C=CCOc1ccccc1CN(C(=O)Cn1nc(C)n(C)c1=O)c1ccc2c(c1)OCCO2 1348530217 KMLGKZTYUMINJP-UHFFFAOYSA-N 450.495 2.460 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@@H](C(C)C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1358959560 LKFNDFGCQAZVPJ-GMAHTHKFSA-N 485.654 2.237 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1CCCN(C(C)C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1358961465 ZOPWTPBFSNQSPE-OAQYLSRUSA-N 458.632 2.476 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCN2CCOC[C@@H]2C)CC1 1359041348 UCYZYAQBDQEWID-PMACEKPBSA-N 498.603 2.244 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccc2F)nnc1N1CCC(OCC(N)=O)CC1 1359102117 WTYAJHHSDWAZOB-MBSDFSHPSA-N 457.550 2.460 30 10 JEEE C=C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCS(=O)(=O)CC)CC1 1359159068 MGCCXFZBBXTDMX-UHFFFAOYSA-N 451.980 2.453 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCSCC1)C(C)C 1359265667 KCLNAWTWTWUISP-MOPGFXCFSA-N 453.678 2.432 30 10 JEEE C=CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1359284472 QVGOAPIJRFEZBG-FXAWDEMLSA-N 484.601 2.146 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1359334968 WBRTXNLPXOFYHB-GASCZTMLSA-N 456.563 2.468 30 10 JEEE COc1ccccc1N1C[C@H](C(=O)Nn2c(C)c(Br)c(C)c(C#N)c2=O)CC1=O 1457778209 HTFQSSNDZAPRMB-CYBMUJFWSA-N 459.300 2.231 30 10 JEEE Cc1nn(C)c(N2CCN(S(=O)(=O)c3cnn(-c4ccc(Cl)cc4)c3C)CC2)c1C#N 1463523661 DKEMOIOOMQQFEH-UHFFFAOYSA-N 459.963 2.259 30 10 JEEE CCS(=O)(=O)N(C)CCCn1c(COc2ccc(F)cc2)nnc1N1CC[C@](F)(C#N)C1 1503266892 CSSOIRGEBIOFKS-FQEVSTJZSA-N 468.530 2.110 30 10 JEEE Cn1cnnc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 1503671401 DMGKXRJVVCUHDW-SFHVURJKSA-N 461.574 2.372 30 10 JEEE COCCC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1504746699 DTJDQSFRASOTOA-UHFFFAOYSA-N 492.584 2.378 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)cc2OC)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1507524555 VJLFVMKMVUQIEH-WIYYLYMNSA-N 468.602 2.363 30 10 JEEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1507577726 UAFSLJPSJXHAEO-SFHVURJKSA-N 472.567 2.011 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CC1(N(C)C)CCC1)[C@@H]1CCS(=O)(=O)C1 1507635274 VPPAWPIBIAFMSW-QGZVFWFLSA-N 477.581 2.258 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1CC1([S@](C)=O)CCC1)[C@H]1CCS(=O)(=O)C1 1507641215 ZQRQBUXMLBZUKQ-GTJUCTONSA-N 490.651 2.093 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@H](CC)N2CCCC2)CC1 1507731958 GOPNQGGCOKOVSV-NRFANRHFSA-N 452.603 2.495 30 10 JEEE C=CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1507942967 VKDFOAIMAXFIDC-UHFFFAOYSA-N 487.630 2.200 30 10 JEEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 1507943942 NPCVWLCYIHSGQB-GOSISDBHSA-N 466.652 2.329 30 10 JEEE C=CCCOCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1507959616 NPICDADPTDQONG-UHFFFAOYSA-N 456.938 2.173 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1SCCc2ccccc21 1507983492 QNYTVPXGUAWZGB-RBUKOAKNSA-N 463.629 2.264 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c(-c2cnccn2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1)C(C)C 1508012795 JJKHYNFTOQUVSV-HYBUGGRVSA-N 466.590 2.465 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCCN(C(=O)C(C)C)CC1 1508072914 UBADQRWFWHSZMX-UHFFFAOYSA-N 481.601 2.144 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1Cc1cn2ccsc2n1 1510150020 DKLUVXDZMWGVLJ-CQSZACIVSA-N 470.584 2.154 30 10 JEEE CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1515312440 CTEOJUIEVFPPBO-MRXNPFEDSA-N 479.507 2.280 30 10 JEEE C#CCCCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1539059958 WQAYJCOHBGKDID-UHFFFAOYSA-N 461.588 2.238 30 10 JEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1Cc2ccccc2O[C@@H](C)C1 1539071789 DUMCUFGCUPRWBT-GHTZIAJQSA-N 473.599 2.202 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CC(C)(C)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1539220332 ISGWGHKUTLEHFV-ZWKOTPCHSA-N 495.646 2.102 30 10 JEEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCO[C@H]1C(C)C 1539409001 LFPUKMNNSBJLDR-QUCCMNQESA-N 474.631 2.385 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCCCOCC)CC1 1539451917 FHUUKRVAEYTYQA-FQEVSTJZSA-N 476.622 2.158 30 10 JEEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1539730023 VTTDCKNVNPQSJZ-UGKGYDQZSA-N 489.642 2.098 30 10 JEEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCOCc1ccccc1 1539803970 PJKMRWXWKJOGMV-GOSISDBHSA-N 469.995 2.017 30 10 JEEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1539902234 BVUZFLCUTNQXPG-MSOLQXFVSA-N 468.668 2.180 30 10 JEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@H]1Cc1cccs1 1540907292 RFYSMZYDMFLLJZ-KRWDZBQOSA-N 463.629 2.274 30 10 JEEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1540908584 YWOCDTPFNJVLPE-INIZCTEOSA-N 455.588 2.340 30 10 JEEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 1540909833 QLECAHVGNLJNTP-HRCADAONSA-N 488.680 2.157 30 10 JEEE C=CCSCCn1c(Cc2ccccc2F)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1540918162 KZJCGHKSOHEFRT-UHFFFAOYSA-N 458.563 2.448 30 10 JEEE CC(C)(O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1541246055 AUDHZTFZNKCQTG-QGZVFWFLSA-N 493.033 2.193 30 10 JEEE CNC(=O)[C@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CC12CCN(C(=O)c1cnn(C)c1)CC2 1548378158 ZTRAQXKWUPAXQV-LJQANCHMSA-N 474.487 2.415 30 10 JEEE CCS(=O)(=O)NCCn1c(COc2ccc(Br)cc2)nnc1N1CCC(C#N)CC1 1552408749 FUDIQLZGCBTVPH-UHFFFAOYSA-N 497.419 2.299 30 10 JEEE N#Cc1cn(CC(=O)N2CCCC[C@H]2C(=O)Nc2ccc(Cl)cc2Cl)c(=O)nc1O 1565615603 HLWPEDOXNWKPSA-HNNXBMFYSA-N 450.282 2.147 30 10 JEEE C=CCS(=O)(=O)CCNC(=O)c1ccc(I)c(Br)c1 1583246824 JKKOBWKMNXZUDJ-UHFFFAOYSA-N 458.115 2.384 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CCCOC(F)(F)F)c1 1587692891 LYEXDOPHCXRQDO-INIZCTEOSA-N 464.448 2.212 30 10 JEEE C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@H](O)c2cc(Cl)c3c(c2)OCCO3)cc1 1588227707 ATQPBGDFXFBXTA-KRWDZBQOSA-N 452.916 2.039 30 10 JEEE C#CCN(CC)c1nnc(Cc2csc(C)n2)n1CC1(N2CCOCC2)CC(OCC)C1 1588421034 YZQRAJOHSSEQFE-UHFFFAOYSA-N 458.632 2.363 30 10 JEEE C#CCN(CCOC)c1nnc(Cc2cccnc2)n1C[C@@H]1C[C@@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1588659652 MJEYLVSCACTUEP-FSSWDIPSSA-N 496.612 2.374 30 10 JEEE C#CCN1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCCSCC)CC1 1588806622 WYYQUAWNEVDNNO-UHFFFAOYSA-N 451.600 2.090 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2Cc2c(CC)nn(C)c2OC)CC1 1588848544 IQCFLSKKHOLCKM-UHFFFAOYSA-N 451.550 2.116 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2OC)n1C[C@H]1CCN(S(C)(=O)=O)C1 1589251555 OZLKBWJORGRDSW-FDDCHVKYSA-N 473.599 2.139 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1cccs1)C[C@@H]1CCCO1 1593637148 YKHILNOOMPLSHI-PKOBYXMFSA-N 481.644 2.434 30 10 JEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](CCc2ccccc2)C1 1594733227 PGFLFPYLYXUTOH-FGZHOGPDSA-N 489.642 2.415 30 10 JEEE C=CCCOCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1594807065 CPQVLICCTQUYPH-KRWDZBQOSA-N 481.557 2.062 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(F)cccc1SC 1594961821 GAYSQONEEVHIRD-INIZCTEOSA-N 455.581 2.143 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(CN(C)C(C)C)CC1 1595497051 OKVDMJFYVWHJFA-UHFFFAOYSA-N 488.658 2.207 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCO[C@@H](CC)C1 1595545246 STRMVSYGGHJRSG-ROUUACIJSA-N 462.595 2.310 30 10 JEEE C=CCS(=O)(=O)CCn1c(N(CC)[C@H]2CCS(=O)(=O)C2)nnc1C1(c2ccccc2)CCC1 1595831405 PYWXIBBRIUAGCM-FQEVSTJZSA-N 492.667 2.362 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1595831766 VQEXIWKNZZAQDR-KZNAEPCWSA-N 483.635 2.470 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)C[C@@H](C)C#N)n1CCOc1ccc(F)c(Cl)c1 1596788699 BPZKLBJWJOOSCJ-STQMWFEESA-N 458.947 2.356 30 10 JEEE Cc1ccc(S(=O)(=O)NCCn2c([C@H]3CCOC3)nnc2N2CCC[C@@](C)(C#N)C2)s1 1612156331 GBKRQQKDKUUBNG-JXFKEZNVSA-N 464.617 2.261 30 10 JEEE CCn1cccc(Cn2c(-c3nn(C)c(=O)c4ccccc34)nnc2N(C)[C@H](C)CC#N)c1=O 1615728096 BEFDYGRTOZYNSE-MRXNPFEDSA-N 458.526 2.160 30 10 JEEE CCO[C@@]1(c2nnc(N3CCN(Cc4ccc(C#N)cc4)CC3)n2C[C@H](C)N(C)C)CCOC1 1616257334 HCGVCOAZLFWCLY-CPJSRVTESA-N 467.618 2.074 30 10 JEEE CCS(=O)(=O)N(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NC(C)C)CC1 1617345756 BQUUQJABIMBDDP-UHFFFAOYSA-N 473.647 2.455 30 10 JEEE C#CCNS(=O)(=O)c1ccc(C(=O)N(C)C[C@@H](O)c2cccc(Br)c2)cc1 1626436032 GDEWUMUURDUWTJ-GOSISDBHSA-N 451.342 2.166 30 10 JEEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1689943607 WZBYCTLSOQDCMH-IRXDYDNUSA-N 457.497 2.310 30 10 JEEE C#CCN(C)c1nnc(COc2ccccc2OC)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1689974944 DSLNHIZWAXNENY-OALUTQOASA-N 467.549 2.281 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1Cc1ccc(OC)c(OC)c1OC)[C@H]1CCS(=O)(=O)C1 1689980040 KSBIHVRKTAOZNE-AEFFLSMTSA-N 476.599 2.492 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H](c1ccsc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1689986686 VGGICSVSDBRVNV-QUCCMNQESA-N 470.624 2.331 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CCCc1nnc(C)s1 1690101337 XJVOGIBJGBPRNY-UHFFFAOYSA-N 464.555 2.473 30 10 JEEE C#CCN1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CC(C)(C)SC)CC1 1690122525 UNEXWVMQXZLAPB-UHFFFAOYSA-N 451.600 2.089 30 10 JEEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2CC2CCN(C(C)=O)CC2)CC1 1690130230 BWCJUYURZNBRMQ-UHFFFAOYSA-N 464.614 2.086 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4ccccc4n3)n2CCS(=O)(=O)CC=C)CC1 1690139814 AQHMZBKZZUHZDA-UHFFFAOYSA-N 492.605 2.060 30 10 JEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 1690170371 HARCYQGUFWEQSO-KRWDZBQOSA-N 462.620 2.337 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1690237976 CXGGIFBRMAGZPU-MRXSCTINSA-N 450.580 2.368 30 10 JEEE C=CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1690475050 DAXVVVDDHVGGLC-UHFFFAOYSA-N 455.519 2.394 30 10 JEEE C=CCCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1690488986 WPSRNKDTTDPAJU-UHFFFAOYSA-N 457.604 2.343 30 10 JEEE C=CCCOCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@H](CNC(C)=O)C1 1690507657 SAIWNESATZOTSY-LJQANCHMSA-N 479.585 2.137 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc2cccnc12 1690597615 ZBAMABOGCHNNDM-FQEVSTJZSA-N 468.583 2.386 30 10 JEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1690644450 LYCQIIFDPKMSGI-IBGZPJMESA-N 480.573 2.366 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)CNC(=O)OC(C)(C)C)C1 1690684445 GACWEWNIFGBLCQ-MSOLQXFVSA-N 462.595 2.456 30 10 JEEE CN(C)CC(C)(C)Cn1c(Cc2cccnc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1696615206 FIBNKHXLXYOVFA-UHFFFAOYSA-N 459.602 2.445 30 10 JEEE C#CCCCn1c(N(C)[C@H]2CCS(=O)(=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705539354 PGDMVRJTQYCHBI-BBWFWOEESA-N 451.593 2.086 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@@H](OC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1705569614 FFUFHRZKOGSMKA-OXQOHEQNSA-N 466.554 2.445 30 10 JEEE C#CCN(CC#CC)c1nnc(CCCc2ccccc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1705600552 COSXXPOQNRLPLC-JOCHJYFZSA-N 453.612 2.198 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccccn1 1705619380 OXVYTIONJMBZPI-KRWDZBQOSA-N 456.547 2.305 30 10 JEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(Cc2cc(C)ccc2OC)CC1 1705664402 NXPAAYFPZZRVSU-UHFFFAOYSA-N 482.654 2.406 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2cn3ccccc3n2)nnc1N(C)CCCS(C)(=O)=O 1705706388 TVAMIESMZAOIQP-AVRDEDQJSA-N 472.615 2.369 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(O)CCN(C)C1 1705716586 OVYZQSOHZYQPLK-FDDCHVKYSA-N 464.611 2.056 30 10 JEEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1([S@@](C)=O)CCC1 1705835504 MRKIPRYXXRGCRK-SSEXGKCCSA-N 450.634 2.470 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[C@@H](c2ccnn2C)C1 1705895606 MIGLIKHRFZRUOI-QGZVFWFLSA-N 495.584 2.391 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1705905636 BNXKNPMUIYCQIK-PKOBYXMFSA-N 469.590 2.306 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)NCC)CC1 1705915570 WBWPZQRGZIVMKC-OAQYLSRUSA-N 454.575 2.001 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCN2C[C@@H](C)C[C@H](C)C2)C1 1705926183 ZJDHJQCGUBIPCK-UWHLTILDSA-N 465.664 2.330 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCc2ccc(OC)cc2C1 1705930892 YBKNMMOAGVSOBK-UHFFFAOYSA-N 482.566 2.098 30 10 JEEE C=CCSCCn1c(N2CCN(c3ncccn3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1705949722 HFTVHLGQRULNME-JOCHJYFZSA-N 459.620 2.355 30 10 JEEE C#CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(CCOC)[C@H](C)C1 1722314526 OTKIZWUKDYOLKQ-LJQANCHMSA-N 463.586 2.152 30 10 JEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](O)(Cc2cccc(Cl)c2)C1 1722332794 OVGGAKYNRRPRCQ-AVRDEDQJSA-N 463.003 2.431 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1ccc(OCCC)nc1)[C@@H]1CCS(=O)(=O)C1 1722368438 RMWXQKQGHARPFZ-VQTJNVASSA-N 473.599 2.031 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H]1CCCO[C@H]1C(C)C)[C@H]1CCS(=O)(=O)C1 1722369741 FTMSYDIWWPUIFM-HAGHYFMRSA-N 450.605 2.208 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCn1ccc2ccccc21 1722389565 JQAHUIHXGFFIAD-IBGZPJMESA-N 452.584 2.396 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCc2ccn(C)n2)CC1 1722442287 UWDIAQPMCZFQPF-FQEVSTJZSA-N 468.606 2.082 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@]2(C)CN(C)C2=O)CC1 1722444377 IVRTWEBTEIENST-GKVSMKOHSA-N 482.560 2.001 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCN(C)C(C)C)CC1 1722447214 JHSIYIBYPLZDHZ-JOCHJYFZSA-N 466.586 2.097 30 10 JEEE C#CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCNC(=O)[C@@H]1CC 1722464572 KIYFNYRBEDVSMX-IRXDYDNUSA-N 462.620 2.431 30 10 JEEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCC2(CCN(C)C2=O)CC1 1722479615 KKQAQBNOFDBHBE-HNNXBMFYSA-N 456.385 2.359 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(Cc2csc(C)n2)CC1 1722695243 XQIYDPOYMKESCW-UHFFFAOYSA-N 467.599 2.343 30 10 JEEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CCN(CC(F)(F)F)CC1 1722700974 AYICZEMPJXLVQG-UHFFFAOYSA-N 450.509 2.440 30 10 JEEE C=CCNC(=O)Cn1c(N2CCO[C@H](c3cccc(C#N)c3)C2)nnc1[C@]1(OC(C)C)CCOC1 1722703977 NCCBYLSBUIUIPK-OFVILXPXSA-N 480.569 2.070 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccc(NC(C)=O)nc2)C1 1722711859 XQQFHHNTUJGERH-WMZHIEFXSA-N 456.547 2.113 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(Cl)cc2F)C1 1722717375 AGDXHIWAQFZOQS-MJGOQNOKSA-N 499.996 2.233 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCC[C@H]2c2ccco2)nnc1[C@]1(OCC)CCOC1 1722731268 IQRMDPHWIYEDIZ-UWJYYQICSA-N 450.561 2.466 30 10 JEEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1722743519 CVYADNWZDGGXFB-FYQPLNBISA-N 451.637 2.078 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1C[C@@H](C1CC1)N(C)C 1723925158 HHWSVTCDKPLWCX-VGSWGCGISA-N 483.642 2.394 30 10 JEEE CCN1CCN(CCCn2c(-c3cccc(C#N)c3)nnc2N2CCC(CNC(C)=O)CC2)CC1 1728634511 AMLJYLVIMCDYPY-UHFFFAOYSA-N 478.645 2.197 30 10 JEEE CCOc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H](C)CN2CCN(CC)CC2)cc1OC 1728857299 COLOPRUGNIJDPE-IFMALSPDSA-N 497.644 2.355 30 10 JEEE CS(=O)(=O)CCN(c1nnc(COc2ccc(C#N)cc2)n1Cc1ccc(F)cn1)C1CC1 1731006273 DCVORWFZGWLBMT-UHFFFAOYSA-N 470.530 2.325 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCC(C)CC2)nc1 1740533603 SCQNNSOWAMXTGQ-ZWKOTPCHSA-N 459.620 2.026 30 10 JEEE C#CCN1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2C[C@](C)(O)[C@H](C)CC)CC1 1740696588 YIPYHDAKBKXEGC-NLFFAJNJSA-N 466.634 2.004 30 10 JEEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1740712128 XVRYYQOIWCXUQB-GOSISDBHSA-N 470.624 2.442 30 10 JEEE C=C(Br)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1740740527 FJGNUSMMKKDYJT-UHFFFAOYSA-N 470.331 2.246 30 10 JEEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1740742160 DZIGMUGJKHFMGY-GOSISDBHSA-N 463.428 2.192 30 10 JEEE C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C1CCC(NC(C)=O)CC1)c1ccccc1 1740796422 AQOUPPISHWWEFU-RPCJCACASA-N 474.631 2.485 30 10 JEEE C=CCCOCCn1c(N2CCN(S(C)(=O)=O)CC2)nnc1C1(c2ccccc2)CCC1 1740888719 RZHOACXSVLIZSB-UHFFFAOYSA-N 459.616 2.422 30 10 JEEE C=CCn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1740945282 VMJPWDRJCSYNBP-UHFFFAOYSA-N 454.531 2.449 30 10 JEEE C=CCS(=O)(=O)CCn1c(CSc2ccc(C)cc2)nnc1N1CC[C@H](C(=O)OC)C1 1740993552 FGQDPDZPRQQZQO-KRWDZBQOSA-N 464.613 2.479 30 10 JEEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CCCc1nccs1)[C@H]1CCS(=O)(=O)C1 1748805972 YQQXJLNUMALOSF-PGRDOPGGSA-N 493.655 2.035 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1CC[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1748810069 RTDPOFSLDDKBHY-ROUUACIJSA-N 474.583 2.016 30 10 JEEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1c(C)nn(Cc2ccccc2)c1C 1748906803 YLYRRJFOUNGEMJ-SFHVURJKSA-N 469.615 2.258 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1c(CC)nn(C)c1OC 1748923102 TWVMJNDBUMRYEP-UHFFFAOYSA-N 460.542 2.004 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C(C)C)N1CCOCC1 1748944623 ANKCSYWAECKXAZ-VXKWHMMOSA-N 468.577 2.365 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(NC(=O)C2CCCC2)c1 1748963097 YFOBUWFKMPAMRY-NRFANRHFSA-N 499.637 2.443 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@@](C)(O)c2cc(C)oc2C)CC1 1749016556 GFCIMULAPQNAPJ-AREMUKBSSA-N 476.581 2.347 30 10 JEEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CCOC)[C@H](C)C1 1749114606 DLACDNMDKMELFJ-IKGGRYGDSA-N 458.401 2.068 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccc(O)cc2C1 1749368220 FIWXNHLZVLEJAY-HXUWFJFHSA-N 475.615 2.482 30 10 JEEE C=CCC(C)(C)Cn1c(N2CCN3C(=O)N(CC)C(=O)[C@@H]3C2)nnc1[C@]1(OCC)CCOC1 1749376908 IWIZBHBUUMNKOY-SBUREZEXSA-N 460.579 2.005 30 10 JEEE C=CCCOCCn1c([C@H]2CCCO2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1749461897 KXQQPBDXKGKKEJ-QZTJIDSGSA-N 451.568 2.452 30 10 JEEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(=O)NC1CCCCC1 1749598133 SCAQXIVKMOSMBW-UHFFFAOYSA-N 479.585 2.280 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](C[C@@H]2CCOC2)C1 1749655485 MHMKNURTOAPKFL-OALUTQOASA-N 487.626 2.294 30 10 JEEE C=CCNC(=O)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CC[C@H](C(C)C)C1 1749677187 QREOWJCDUXDPLQ-QFIPXVFZSA-N 465.646 2.427 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C)[C@@H](OC)C1 1749739399 BGVDCSGQWBACSO-PXNSSMCTSA-N 459.572 2.191 30 10 JEEE C=CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1749756031 QQSANGFEBIWTAL-NRFANRHFSA-N 486.642 2.356 30 10 JEEE CC(=O)N1CCN([C@H]2CN(c3nnc(CC(C)(C)C)n3Cc3ccc(C#N)o3)C[C@H]2C)CC1 1749884222 OVJABXDURHOXQC-UTKZUKDTSA-N 453.591 2.368 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CCCN2CCCO[C@@H](C)C2)c1 1760125803 MAXKPROBFLEPOE-FQEVSTJZSA-N 490.612 2.236 30 10 JEEE C#CCCCn1c(-c2noc3c2COCC3)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 1760152573 QFHPYLJEBAQRQU-HNNXBMFYSA-N 470.555 2.264 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1760193239 XAKZWRBKIMNSDA-PZJWPPBQSA-N 458.584 2.398 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(Cc2ccccc2)CC1 1760233907 QWEAPOSZYFHIOW-FQEVSTJZSA-N 457.600 2.093 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(NC(=O)CCC)CC1 1760272202 BVALVONLXSCNSP-UHFFFAOYSA-N 455.588 2.177 30 10 JEEE C=C(C)COCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCO[C@@H](C(=O)NC)C1 1760355866 YUCFJIDECRJHJU-HXUWFJFHSA-N 452.515 2.144 30 10 JEEE C=CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1760430082 YQBLDDFXXNZOKE-UHFFFAOYSA-N 493.659 2.033 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC(Oc2cc(C)ccn2)CC1 1760556199 WVGZTRIEGBCFFU-GOSISDBHSA-N 461.588 2.134 30 10 JEEE N#CCOc1cccnc1NC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 1858849896 DRYMNAVPLXWIGO-UHFFFAOYSA-N 451.892 2.302 30 10 JEEE COc1cc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2CCN2CCOCC2)ccc1O 1862755414 BBJJIBITEKHMAT-NRFANRHFSA-N 483.477 2.220 30 10 JEEE C=CCn1cc(OCC(=O)NCc2ccccc2OC)c(=O)cc1CN1C[C@H](C)O[C@H](C)C1 1870641094 NEXLHSCGIDTJBG-KDURUIRLSA-N 455.555 2.347 30 10 JEEE CCCN(CCC)C(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1ccc(O)c([N+](=O)[O-])c1 1874434365 BCRJNROCUYLLNJ-SSDVNMTOSA-N 477.547 2.151 30 10 JEEE CN1CCN(CC#CCOC2CCN(C(=O)c3cc(F)cc(Br)c3)CC2)CC1 1889363560 QTSFQAMOXCRTOA-UHFFFAOYSA-N 452.368 2.460 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2CCO[C@H](CCNC(=O)OC(C)(C)C)C2)C1 2255152529 BYEKXAZDYBTVHV-WCCYLALTSA-N 451.564 2.435 30 10 JEEE CN(CCNS(=O)(=O)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)C(=O)OC(C)(C)C 2255932385 AUDQMAMLLBERQG-UHFFFAOYSA-N 454.398 2.272 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@](C)(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2256605974 PCRFQYKCTNINSF-ODXCJYRJSA-N 452.386 2.281 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1CCO[C@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2256618231 OUPXGJFPJGAXIQ-GXTWGEPZSA-N 453.370 2.311 30 10 JEEE CC(C)(C)OC(=O)NCC1(NC(=O)c2cccc(F)c2B2OC(C)(C)C(C)(C)O2)COC1 2266985129 QIBBGYLESPQEKK-UHFFFAOYSA-N 450.316 2.148 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H](O)C[C@H]2CNC(=O)OC(C)(C)C)s1 2267110724 ICXPJQGFJZBQQR-GJZGRUSLSA-N 466.409 2.456 30 10 JEEE CC1(C)OB(c2cnsc2C(=O)N2C[C@H]3CC[C@H]2[C@H](NC(=O)C(F)(F)F)C3)OC1(C)C 2267167399 FVYSPDMNWZBEDE-UHTWSYAYSA-N 459.299 2.114 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@](F)(CNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2267518523 CGZBLYYZUISYBJ-IPVJXJPOSA-N 452.336 2.082 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](CNS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2267705398 HVJLFNGZBHIXFV-OKILXGFUSA-N 487.453 2.165 30 10 JEEE C[C@H](NC(=O)[C@H]1OCC[C@H]1NC(=O)OC(C)(C)C)c1nscc1B1OC(C)(C)C(C)(C)O1 2268634154 GTTZHOKRJKVULM-BJJXKVORSA-N 467.397 2.302 30 10 JEEE COc1ccc(NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)O)c(B2OC(C)(C)C(C)(C)O2)c1 2268640920 ZVUOEXWJRYHDDK-SUMWQHHRSA-N 450.341 2.207 30 10 JEEE C[C@@H](CNC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 2281805760 CRHSWCOTPOLDIM-FPTDNZKUSA-N 481.424 2.180 30 10 JEEE Cc1c(C(=O)NC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281810468 PQCPIKNHBWKFFE-MRXNPFEDSA-N 462.400 2.405 30 10 JEEE C[C@H](CCCN(C)C(=O)OC(C)(C)C)NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282339477 VADCXOOXNRIGLQ-OAHLLOKOSA-N 486.444 2.033 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2F)C[C@@H](O)C1 2282410546 BOBNDLIVHOHUSG-MRXNPFEDSA-N 464.343 2.179 30 10 JEEE Cn1nc(C(=O)N2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2282554061 XXOIHQSPKKUHJY-UONOGXRCSA-N 480.802 2.454 30 10 JEEE Cn1cc(C(=O)N2CC[C@@H](C(C)(C)NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2282579695 IHUADEJRZGEYBP-OAHLLOKOSA-N 462.400 2.485 30 10 JEEE CC1(C)OB(c2c[nH]c(C(=O)N[C@H]3CN(Cc4ccccc4)[C@@]4(CCOC4)C3)c2)OC1(C)C 2282642050 ICYVIXNKJIQUHZ-NLFFAJNJSA-N 451.376 2.477 30 10 JEEE Cc1ccc(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 2282679613 BYCHARQRFWHURB-APWZRJJASA-N 460.380 2.252 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(S(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282829440 DYCAGURSRXCLLG-JKSUJKDBSA-N 481.424 2.305 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2CN(S(=O)(=O)c3cccc(B4OC(C)(C)C(C)(C)O4)c3)C[C@@H]2C1 2282856828 YYLJZVYTSMPDBU-IRXDYDNUSA-N 478.420 2.473 30 10 JEEE C[C@H](c1nscc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 2284044974 HOWQNIHPXGDJMT-PEBXRYMYSA-N 481.424 2.334 30 10 JEEE CCOc1ccc(C(O)=C2C(=O)C(=O)N(c3ccccc3)[C@]2(C(=O)OC)N2CCOCC2)cc1 2296136256 XFODXOXWVLUPIM-RUZDIDTESA-N 466.490 2.172 30 10 JEEE COc1ccc(OCCCc2nnc(SCC(N)=O)n2N=Cc2ccc(OC)c(O)c2)cc1 2326250331 QBUDZIUMKXEHLD-UHFFFAOYSA-N 471.539 2.472 30 10 JEEE CC(C)(C)OC(=O)N1CC(F)(F)[C@](C)(NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2361663358 VJGDPHLNPCWRKI-HXUWFJFHSA-N 468.310 2.150 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@]12CC[C@H]1CN(C(=O)OC(C)(C)C)C2 2362348466 RNIAZLNHVMZACN-NPMXOYFQSA-N 460.384 2.096 30 10 JEEE Cc1ccccc1OC[C@@H](O)Cn1c(NN=Cc2ccc(Cl)cc2)nc2c1c(=O)n(C)c(=O)n2C 5396501 UGPHUSVJUSWSHG-SFHVURJKSA-N 496.955 2.281 30 10 JEEE CCOc1ccc(/C=c2\c(=O)oc3n2-c2oc(N)nc2[C@@H](c2ccc(OCC)cc2)C=3C#N)cc1 20176204 FFZYCMBHFOEUIU-OABJIQBASA-N 470.485 2.447 30 10 JEEE Cc1ccsc1C=c1sc(=C(C#N)C(=O)NC[C@H]2CCCO2)n(-c2ccc(F)cc2)c1=O 254878125 YGRNGWICMQCTFF-QGZVFWFLSA-N 469.563 2.206 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)C(=O)NCCN=c1ncnc2n(C)[nH]c(Br)c1-2 729623816 JUBMZZHKYULISL-UHFFFAOYSA-N 474.363 2.318 30 10 JEEE C=CCn1nc(C)c(C=NNc2nc(SCCC(=O)Nc3ccc4c(c3)C(=O)NC4=O)n[nH]2)c1C 1084236088 AYXRBVUPRKUUAN-UHFFFAOYSA-N 493.553 2.255 30 10 JEEE NS(=O)(=O)c1ccc(NN=C2C(=O)N(c3ccccc3)N=C2c2ccc([N+](=O)[O-])cc2)cc1 1084491759 NXGGKKYRKLFVLB-UHFFFAOYSA-N 464.463 2.461 30 10 JEEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCCN(CCC)C(=O)C1 1286314432 CLRNZBUYDKHMNW-UHFFFAOYSA-N 486.642 2.448 30 10 JEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 1286315026 TVUMYGVIOYPGRO-DLBZAZTESA-N 468.624 2.185 30 10 JEEE C#CCCCn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 1286350235 XOOZBKRGZCJDFK-ORFBVSJDSA-N 456.635 2.402 30 10 JEEE C#CCN(c1nnc(-c2ccc(F)cc2Br)n1CC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1286387379 DAUOIPJPMDQVTD-AWEZNQCLSA-N 485.379 2.244 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1CCOc1ccc(Cl)cn1)[C@@H]1CCS(=O)(=O)C1 1286391276 CFAZGXVSYPRPDZ-QGZVFWFLSA-N 451.980 2.231 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCCCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1286391332 DTJBJMWPLDKXDE-NHCUHLMSSA-N 463.648 2.065 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H](CC)N2CCCC2)CC1 1286469477 GTYQJKYTRDMSCA-JOCHJYFZSA-N 484.048 2.491 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccccc3F)n2CC[C@@H](C(F)F)N2CCOCC2)CC1 1286476530 YMRPXKVLTSLHQG-FQEVSTJZSA-N 462.520 2.195 30 10 JEEE C#CCN1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@@H](C)N2CCOCC2)CC1 1286484456 OHSQZDVSHVYXNE-OAQYLSRUSA-N 454.644 2.355 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1CCCS(=O)(=O)Cc1ccccc1 1286514453 GSTDVGALKLFVEY-HSZRJFAPSA-N 457.600 2.414 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCS(C)(=O)=O 1286524578 FVCVKFDSXXPDEU-JOCHJYFZSA-N 465.620 2.429 30 10 JEEE C=C(C)COCCn1c(CC2CCCC2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1286611074 GNIMKTBCFQUVAB-UHFFFAOYSA-N 491.662 2.156 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1286757042 DLFGGCOKPIRFBD-OTWHNJEPSA-N 451.637 2.246 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1286784347 FIZCRDNNYJKYJE-APWZRJJASA-N 489.418 2.167 30 10 JEEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(C)Cc1ccc(OCC)cc1 1286787319 RKDUFDFGXINRMP-UHFFFAOYSA-N 452.515 2.343 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 1286789813 XBDDAERBQYZQAU-GOSISDBHSA-N 469.521 2.395 30 10 JEEE Cc1cccc(-c2nnc(N3CCN(c4cccc(F)c4C#N)CC3)n2CCS(C)(=O)=O)n1 1289980743 HWAQTDKSSXACSE-UHFFFAOYSA-N 469.546 2.031 30 10 JEEE CC[C@@H](C)NC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)CCCO2)CC1 1291838721 DPSZYOHOZCVAER-IBVKSMDESA-N 495.628 2.335 30 10 JEEE CCc1ccccc1OCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC(=O)N(C)CC 1292614141 BYVGTJAVIZGYBD-UHFFFAOYSA-N 488.596 2.491 30 10 JEEE CCc1nn(C)c(CC)c1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1292759137 AAJKIYJLKNWESI-GOSISDBHSA-N 467.599 2.347 30 10 JEEE CCN1CCN([C@@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N(C)C[C@@H](C)C#N)CC1 1296132273 AHXXVJWMFOPRFA-PMACEKPBSA-N 450.591 2.351 30 10 JEEE CN(C)C(=O)[C@@H]1CCCN1CCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@H](C#N)C1 1297953943 AOYITPUBFVORIC-XLIONFOSSA-N 489.983 2.409 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2C[C@H]2CCOC[C@H]2C)c1 1300337321 ZBOMUNMZDPGXBG-UYAOXDASSA-N 464.570 2.129 30 10 JEEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1CCc1ccc(OC)c(OC)c1OC 1300454900 BFWZGYQVIIQEFT-UHFFFAOYSA-N 453.499 2.344 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccccc1C(F)(F)F 1300509147 GRCQSLKLPSXAFU-OAHLLOKOSA-N 453.490 2.223 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCCN1CCN(CC)CC1 1300511557 LSPIRBSMPJJZDK-UHFFFAOYSA-N 456.598 2.436 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2cccs2)CC1 1300716889 UKANMGIITHJIRS-QHCPKHFHSA-N 457.600 2.394 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2CC[C@](C)(CC)O2)CC1 1300731702 GVUPGXBHUJTORM-PDFGSZSQSA-N 473.618 2.316 30 10 JEEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1300765438 DUIBSPINYXPKNA-INIZCTEOSA-N 464.563 2.140 30 10 JEEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)OCC)CC1 1300770313 SMBIGRAQACXXKN-UHFFFAOYSA-N 454.556 2.374 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(C#N)cc1 1300872878 HMPZTLBBGIDVLG-UXPWSPDFSA-N 458.588 2.378 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](C(=O)OC)C1 1300877252 WXYUKRBKYZZYTA-LMMKCTJWSA-N 454.531 2.296 30 10 JEEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1301491809 ZLGXNNOBXKVTLE-SFHVURJKSA-N 463.586 2.480 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CCN(CCOC)[C@@H](C)C1 1301492155 YSSKAHQJKSQYAJ-INIZCTEOSA-N 477.407 2.167 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1301493400 XTPQAVWOFXDJAO-YYULODDRSA-N 485.585 2.427 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1301575090 BKFSOJSNKOTACY-WBVHZDCISA-N 465.963 2.134 30 10 JEEE CC(=O)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCCN2CCC[C@@H]2CO)CC1 1301695855 GSFCBQRWSHXGIL-HSZRJFAPSA-N 465.602 2.112 30 10 JEEE CC(C)CCN1CCC(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)CC1 1303089474 BWIHBPNGCPUYCO-UTKZUKDTSA-N 469.631 2.088 30 10 JEEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1CCCNC(=O)c1cccc(O)c1 1358997436 SHBQMCIKDLQUOA-UHFFFAOYSA-N 459.554 2.128 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCc1cn2ccccc2n1 1359019949 MYGCAEBDBLYSTQ-UHFFFAOYSA-N 478.578 2.325 30 10 JEEE C#CCN1CCN(c2nnc(CSc3ccccc3OC)n2C[C@H](C)N2CCOCC2)CC1 1359039506 LSJXYTBGBBPPSQ-FQEVSTJZSA-N 470.643 2.055 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[S@](=O)C(C)(C)C)CC1 1359043421 SYQUNQOZFLSLFH-XIFFEERXSA-N 466.611 2.330 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CC(CC)(CC)OC)CC1 1359046721 CUBNITYVGWNBCC-UHFFFAOYSA-N 455.607 2.311 30 10 JEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](c2ccc(F)cc2)C1 1359048893 CXKDUFAETNQZOX-WBVHZDCISA-N 451.593 2.388 30 10 JEEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCC(CN2C[C@H](C)O[C@H](C)C2)CC1 1359126102 FZZQWDSXWGNCIZ-BGYRXZFFSA-N 462.639 2.335 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCN1CCN(c2ccccc2)CC1 1359150687 DLCUSKVQKWBTHH-LJQANCHMSA-N 479.050 2.191 30 10 JEEE C=CCCOCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](C)C1 1359227487 CCLAPXLLQRUPQA-MSOLQXFVSA-N 451.568 2.404 30 10 JEEE C=CCCOCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCN(C(C)=O)CC1 1359227818 MZJUSOOGRUVVSI-HXUWFJFHSA-N 492.621 2.238 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(C(=O)c2cccc(Cl)c2)CC1 1359297466 RFSPGYGDCJNASI-UHFFFAOYSA-N 465.945 2.258 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCCN(C(=O)CC3CCCC3)CC2)s1 1443548157 QIXWGWOSOWOCMD-UHFFFAOYSA-N 453.630 2.396 30 10 JEEE C#CCn1ccc(CN(CCOC)CC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)n1 1473439522 GLSJMUWPXRVTQG-UHFFFAOYSA-N 456.502 2.379 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@]1(OC)CCOC1 1507533678 OPBNKVOBYXWXGE-BXKMTCNYSA-N 450.543 2.328 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OCC)CCOC3)n2CC2(C(N)=O)CCCC2)c1 1507548597 BBVGRBHIFKOXNA-SANMLTNESA-N 494.596 2.032 30 10 JEEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1(O)CCN(C(C)C)CC1 1507604720 GIHNDQTWAOVOBW-UHFFFAOYSA-N 458.994 2.166 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2CCc2nccnc2C)CC1 1507734777 XTBCJUGXIREUKT-UHFFFAOYSA-N 459.554 2.261 30 10 JEEE C#CCSCCn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1507756520 JRVWSDKCCZKRGJ-FQEVSTJZSA-N 473.574 2.190 30 10 JEEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1507791254 JVXZIKKPNQOAGB-BZSNNMDCSA-N 470.412 2.069 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC(NC(=O)CCC)CC1 1507806932 OVKLPZXCADPIRE-MBSDFSHPSA-N 458.607 2.267 30 10 JEEE C=C(C)Cn1c(Cc2cccnc2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1507833142 YDNAKXCJHJIDAJ-SFTDATJTSA-N 451.619 2.467 30 10 JEEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C(C)C)C1 1507964340 BCNQPALWOJIIII-RBUKOAKNSA-N 455.625 2.076 30 10 JEEE C=CCn1c(COc2ccc(Br)cc2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1508065554 ISTQGDNLQSWGFI-UHFFFAOYSA-N 475.391 2.206 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@H]1c1nncn1C 1508075889 BTLZXJIPXKPLIF-INIZCTEOSA-N 471.363 2.480 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 1508078877 LHMDNHFQZYSOCE-GOSISDBHSA-N 496.612 2.396 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1508086852 PGPPCYAMWYSFFK-UHFFFAOYSA-N 480.613 2.409 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H](C2CC2)N(C)C)C1 1508117522 OHJGIJBLUXQBSB-TZIWHRDSSA-N 459.616 2.470 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N(C)C[C@H]1CCCO1 1508134100 BERVVSBVAPEUPK-OAHLLOKOSA-N 472.409 2.262 30 10 JEEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(NC(=O)[C@H]2CCCO2)c1 1509951273 GECYDKYUBQEEKM-AYOQOUSVSA-N 451.531 2.133 30 10 JEEE Cc1cnn(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCCC[C@@H](S(C)(=O)=O)C2)c1 1511418692 HHHUIDDMCVJZDX-OAQYLSRUSA-N 483.598 2.337 30 10 JEEE CCCNC(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1515056213 IFBIYOBALLFLKQ-UHFFFAOYSA-N 491.600 2.110 30 10 JEEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1CCCN1CCN(c2ccccc2)CC1 1539155181 UKHOVEQQYWTWPK-VWLOTQADSA-N 452.603 2.212 30 10 JEEE C#CCN(CC#C)c1nnc(CSc2ccc(C)cc2)n1CCN1CCN(C(C)=O)CC1 1539278470 DNAFKAAWHFRHGD-UHFFFAOYSA-N 450.612 2.116 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCSCc1ccc(C)cc1 1539370646 YTLVUWHHLAMBRB-HXUWFJFHSA-N 477.656 2.312 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H](CC)OC)CC1 1539490137 RZTHROTYDMDRES-ZCNNSNEGSA-N 488.633 2.440 30 10 JEEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1539505710 LMRKKOARZZODOZ-UHFFFAOYSA-N 450.528 2.336 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCN1CCN(C(C)=O)CC1 1539540481 QKKUAHXJIPMBQF-HSZRJFAPSA-N 451.531 2.010 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2noc3c2COCC3)n1CCNS(=O)(=O)c1ccccc1 1539666017 NESOUMRLLMJGTP-UHFFFAOYSA-N 472.571 2.387 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](c2ccc(F)c(F)c2)C1 1540862010 OGBHXQPZWXFULW-SFHVURJKSA-N 483.479 2.084 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2ccc(NC(C)=O)cc2)C1 1540893074 WMRMEGHFRFVDLH-PZJWPPBQSA-N 473.599 2.163 30 10 JEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nc(C)c(C)s2)CC1 1540917292 RJLUYQVPIXQDBF-QGZVFWFLSA-N 482.701 2.499 30 10 JEEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)CC2CC2)C[C@@H](C)O1 1545058360 DWHKSINWWOQTSA-CALCHBBNSA-N 459.572 2.167 30 10 JEEE CS(=O)(=O)N1CC[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(CC#N)CC2)C1 1555808592 CNMVEZOSBASKKV-FQEVSTJZSA-N 483.598 2.140 30 10 JEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H](C)C2(C(=O)OCC)CCOCC2)cc1 1562198489 OZNSLWUORQNPLV-MRXNPFEDSA-N 453.561 2.363 30 10 JEEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N2C[C@@H](O)[C@H](CO)C2)c1 1570213270 AJFDOKLTUWTKOF-OXJNMPFZSA-N 450.944 2.147 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H](C)CS(=O)(=O)c2ccc(C)cc2)ccc1F 1585478920 NAAWOHLPHFJKOJ-HNNXBMFYSA-N 454.545 2.191 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 1587562968 VURMGHRXUJDGPM-YESZJQIVSA-N 480.635 2.136 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2CCOC2)c1 1587697367 OYGVRZBOMYVSFK-IPJJNNNSSA-N 453.543 2.095 30 10 JEEE C#CCCCCn1c(-c2noc3c2COCC3)nnc1N1CCN(C(=O)N(CC)CC)CC1 1587754399 CSLAGFORDMCILN-UHFFFAOYSA-N 455.563 2.393 30 10 JEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1587765529 HOJPQVJWTYZGIN-PGRDOPGGSA-N 467.636 2.056 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ccccc1C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1588049142 ASUONVPPKWCUIY-INIZCTEOSA-N 476.484 2.429 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCCNc2ccccn2)CC1 1588929917 IYSUKUNVJYXBOP-HXUWFJFHSA-N 451.575 2.035 30 10 JEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]2CCN(Cc3ccccc3)[C@@H]21 1588983804 CDLKXMNVBOBLMY-CZTZKLFOSA-N 488.683 2.313 30 10 JEEE C#CCSCCn1c(N2CCN(C(=O)c3ccccn3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1589125659 NHQQOXMRSPYWRT-XMMPIXPASA-N 484.626 2.043 30 10 JEEE C=C(Br)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1589347069 DJYJGYHMBFHVAW-CYBMUJFWSA-N 475.800 2.420 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1595297093 MREKAQVKWXTYJZ-TZIWHRDSSA-N 456.591 2.479 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@@H](C(=O)NCCCC)C1 1595516895 LKZDAMAZKXDHDU-GOSISDBHSA-N 468.558 2.109 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1595823760 SEKKXAAUBOJXEU-RBUKOAKNSA-N 476.555 2.189 30 10 JEEE CC(C)NC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(OCCN2CCCC2)CC1 1610027375 GDMMMCAJUFKLRS-UHFFFAOYSA-N 465.602 2.423 30 10 JEEE Cc1cc(C)n(C[C@H]2CN(c3nnc(COc4ccc(C#N)cc4)n3CC(C)(C)O)CCO2)n1 1612511431 DTIGVRQCBBFLSI-OAQYLSRUSA-N 465.558 2.218 30 10 JEEE C#C[C@H](C)N(C)C(=O)c1ccc(S(=O)(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 1626459079 QEGJFVTZIGTCTH-INIZCTEOSA-N 452.536 2.379 30 10 JEEE C=CCOc1ccc(C(=O)NCc2ccccc2S(=O)(=O)N2CCN(C)CC2)cc1OC 1627743108 CLUQHJVMXOGLMD-UHFFFAOYSA-N 459.568 2.126 30 10 JEEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccc(CN3CCC[C@H](C(N)=O)C3)cc2)c1 1632031990 QZATXTIDSZLARZ-FQEVSTJZSA-N 453.564 2.433 30 10 JEEE C#CCCN(CC(F)(F)F)C(=O)C[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 1633549168 WMFQSJGBEDFOIU-ILXRZTDVSA-N 452.495 2.071 30 10 JEEE C#CC[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2OC)c1)C(=O)OC 1651069257 MGEJOTSYAAJJCY-MRXNPFEDSA-N 450.900 2.444 30 10 JEEE C=C[C@@H]1OCCC[C@H]1NC(=O)NCC1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 1668992315 SDLGUCLTDBPYDN-MOPGFXCFSA-N 467.588 2.137 30 10 JEEE C#CCN(c1nnc([C@@H]2COc3ccccc3O2)n1CCCCOCC)[C@@H]1CCS(=O)(=O)C1 1689990181 MKWGKQOSOKDYEJ-NQIIRXRSSA-N 474.583 2.234 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1ccc(N(CC)CC)nc1)[C@H]1CCS(=O)(=O)C1 1689992852 PSRVMOOOIAQEJD-QFIPXVFZSA-N 493.637 2.180 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCCN1CCCO 1690089627 ILXWDPQVCXDYTD-QFIPXVFZSA-N 451.550 2.304 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2CCCN2CCCO[C@@H](C)C2)CC1 1690133655 OVRGVWKGLXDZLJ-NRFANRHFSA-N 470.593 2.252 30 10 JEEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@H](COCC)C1 1690170891 RNMMPFRFVDLIKX-KRWDZBQOSA-N 452.584 2.421 30 10 JEEE C=C(C)COCCn1c(-c2cc(Br)cn2C)nnc1N1CCN(C(C)=O)CC1 1690302880 MZTVKGZRZVETMC-UHFFFAOYSA-N 451.369 2.307 30 10 JEEE C=CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1690462953 RVAMBGJJFLIQHW-LJQANCHMSA-N 477.635 2.081 30 10 JEEE C=CCCOCCn1c(N2CCN3C(=O)N(C)C[C@@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1690512472 YUXNTEQFOXRFNT-CEXWTWQISA-N 489.621 2.198 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C)no1 1690577717 LWFVSXMCDLZTFA-GOSISDBHSA-N 478.600 2.210 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1690665706 MYGIYCGJHXMQAJ-IBGZPJMESA-N 492.584 2.160 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC(c3ccccc3CO)CC2)nnc1[C@@]1(OCC)CCOC1 1690676707 AYCVKAJECNSHSI-RUZDIDTESA-N 469.586 2.109 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3nn(C(C)C)c(=O)c4ccccc34)n2CC(=O)N(C)CC)C1 1690697037 NPUHEZABCUHCFS-GOSISDBHSA-N 479.585 2.496 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@]2(O)CCN(C)C2)C1 1690700680 WBJXSNIMUCGKCV-DFIYOIEZSA-N 490.649 2.241 30 10 JEEE C=CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1690742086 GBJOSTLLGHZKAQ-AWEZNQCLSA-N 462.601 2.382 30 10 JEEE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCc2ccco2)C1 1690782660 AYSHDINTIUFNEF-IBGZPJMESA-N 461.526 2.031 30 10 JEEE Cc1nn(Cc2ccccc2)c(C)c1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C[C@@H](C)C#N 1693407681 BWURYADITAZOMH-WMZOPIPTSA-N 484.630 2.394 30 10 JEEE C#CCN(c1nnc(CCCc2ccccc2)n1CCc1cn[nH]c1)[C@H]1CCS(=O)(=O)C1 1705570084 MJBGOKJDCNCASE-NRFANRHFSA-N 452.584 2.046 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@H](c1cccc(F)c1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1705570403 MXLMNIUANKQAIJ-DHIUTWEWSA-N 496.612 2.333 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(Br)c2)n1CCCN(C)S(=O)(=O)CC 1705575063 WXJUIEAWIFFNCZ-UHFFFAOYSA-N 478.416 2.452 30 10 JEEE C=CC[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H]1CCOC1)c1ccccc1 1705796965 NUOAFMHWBSXCEC-KSEOMHKRSA-N 489.642 2.444 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC=C(c2ccccc2)C1 1705928330 OWDUIKMBBGTJQN-UHFFFAOYSA-N 455.584 2.409 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@@H](c2nnc(N3CCC(C#N)CC3)n2CCn2cncn2)C1 1706156307 HZQJGMYJJLQZFR-GOSISDBHSA-N 455.567 2.424 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCNC(=O)c1cccc(OC)c1 1722292804 ATBYMESHHVKELO-IBGZPJMESA-N 488.596 2.349 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1722301571 CJFLCRDUYVEMPY-AUUYWEPGSA-N 455.005 2.231 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCc2nccs2)c1 1722310646 YBOKFUQARWFZAF-SFHVURJKSA-N 498.634 2.326 30 10 JEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cccc(C(=O)NC)c1 1722355591 ZBVIVUIVQPVFLY-LJQANCHMSA-N 468.558 2.064 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1CCN1CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1722362418 NNACDCHJFXISBI-AZUAARDMSA-N 487.626 2.073 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H](CC)OC)[C@H]1CCS(=O)(=O)C1 1722370329 NETBVBZMQKHGCX-FHWLQOOXSA-N 495.646 2.402 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1ccccc1OCC=C)[C@@H]1CCS(=O)(=O)C1 1722370984 GRGQWLCZVFBTAV-JOCHJYFZSA-N 494.621 2.380 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCC(=O)N[C@H](C)CC)CC1 1722435204 DRERAXYZOJSWPK-GOSISDBHSA-N 454.575 2.022 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](c2cccnc2)C(C)C)CC1 1722440792 KCMZLVSYWUICII-OAQYLSRUSA-N 465.602 2.217 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2Cc2cc(C)nn2C)CC1 1722441286 JWDAIOONLXXYDS-FQEVSTJZSA-N 468.606 2.196 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(OC)cc3)n2Cc2ccc(C#N)o2)CC1 1722450877 SPNJQJLYJNVHPA-UHFFFAOYSA-N 474.521 2.344 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCCN1CCCO 1722513003 OWYFKTKUQJFONA-IBGZPJMESA-N 465.602 2.441 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)N(C)Cc2ccccc2)CC1 1722566509 SQMPQYLFQRZOMN-UNMCSNQZSA-N 488.658 2.288 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](c2ccc(Br)cc2)C1 1722698009 AYGRWCLILLAVQB-SJLPKXTDSA-N 476.375 2.425 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCCN(C(C)C)CC2)cc1 1722703358 ZKZWKXIPMSAIEC-LJQANCHMSA-N 476.647 2.422 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1 1722726363 CYVDVLMDITZSBV-KNQAVFIVSA-N 464.563 2.358 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 1722727340 KOPAMBHBTODHQH-SFHVURJKSA-N 487.561 2.414 30 10 JEEE C[C@@H]1COCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](CC(N)=O)C1 1726740307 FUJNMHSVDOAINO-HOJAQTOUSA-N 452.559 2.493 30 10 JEEE CCS(=O)(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(CS(C)(=O)=O)CC2)CC1 1729180879 DJBFYDCMMLYMCS-UHFFFAOYSA-N 491.639 2.045 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1740533247 ALJSEYKBKQHJGW-HFZDXXHNSA-N 481.645 2.362 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)Nc3ccccn3)n2CCCc2cnn(C)c2)c1 1740561316 AXQKJAPNEDGFCF-UHFFFAOYSA-N 497.563 2.348 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCCS2)c1 1740561545 GTWOVYZFMCBFFI-APWZRJJASA-N 490.655 2.230 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cc(Br)c[nH]3)n2CC(=O)NCC=C)c1 1740563159 WJFUTZPXEANDRP-UHFFFAOYSA-N 496.369 2.394 30 10 JEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1740581500 ZDAXKYSJSMXPSZ-IXDOHACOSA-N 468.624 2.041 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CCc1cccc(F)c1F)[C@@H]1CCS(=O)(=O)C1 1740618173 DDUWAKSGXGUYKI-JPYJTQIMSA-N 494.564 2.078 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@@H]1CSCCS1)[C@H]1CCS(=O)(=O)C1 1740619252 MWKQOODIPAEOTP-JKSUJKDBSA-N 452.627 2.322 30 10 JEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccnc(OCC(F)(F)F)c2)CC1 1740698926 QGSZZUSCYCTFSS-UHFFFAOYSA-N 488.518 2.279 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCN(C)Cc1ccccc1 1740726252 ZYANCGOGTXUEIA-AUSIDOKSSA-N 458.632 2.403 30 10 JEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCN(Cc2cccc(F)c2)CC1 1740795864 GWTHBPCPQQWALX-UHFFFAOYSA-N 456.566 2.455 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)Oc2ccc(OC)cc2)CC1 1740825283 LIPKQZORIAGJEJ-WIYYLYMNSA-N 491.614 2.244 30 10 JEEE C=CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(C)(C)N1CCC(OC)CC1 1740894970 OFWDLUGABICBIP-UHFFFAOYSA-N 451.579 2.432 30 10 JEEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCN(C(C)=O)C1 1740900161 NBONNKPXWYOECU-RBUKOAKNSA-N 462.595 2.467 30 10 JEEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@]1(O)CCS(=O)(=O)C1 1740928762 UJOGWLSFLGVDDX-FQEVSTJZSA-N 452.964 2.335 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCCN(C(=O)c2ccsc2)CC1 1740958504 BTQRGFCWYJMULW-UHFFFAOYSA-N 465.583 2.365 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2ccc(C(N)=O)nc2)C1 1740985219 DLLZUMMYEDEBLU-CEXWTWQISA-N 497.600 2.372 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H]1c1ccc(COC)o1 1740991680 BOSIQUDERSMDRC-SJLPKXTDSA-N 450.561 2.464 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCCN1CCC[C@@H]1CO 1748647083 INEARNSUGYHXPL-UYAOXDASSA-N 487.674 2.241 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(Cl)c(F)c1 1748751535 IIUGOMCSUXKPLX-GOSISDBHSA-N 469.970 2.453 30 10 JEEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(CC)CCOCC1)[C@H]1CCS(=O)(=O)C1 1748805809 WMYHADZOIMRTPD-GBXCKJPGSA-N 494.658 2.152 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1CCc1c(F)cccc1F)[C@H]1CCS(=O)(=O)C1 1748811161 CMUBBZVFXVLPNV-KRWDZBQOSA-N 457.506 2.488 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCOCC(F)(F)C(F)F 1748841894 BJSDUWPYALWUIU-UHFFFAOYSA-N 476.434 2.182 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCS(=O)(=O)CC 1748891077 ZIRBYEUCFYVBSE-IBGZPJMESA-N 477.631 2.290 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(OCC(C)C)c1 1748892230 LOWHIOHQSYLSLS-QHCPKHFHSA-N 499.637 2.157 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCNC(=O)C1CC1 1749052053 WWMFXCFUVZKPLY-HSZRJFAPSA-N 454.962 2.380 30 10 JEEE C=C(Br)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](C(N)=O)C1 1749103784 CWXDEFCHPWGOJU-HUUCEWRRSA-N 499.410 2.197 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(COc2ccccc2)CC1 1749193410 HUJFRORHEAFYPP-NRFANRHFSA-N 475.615 2.483 30 10 JEEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2cc(F)ccc2OC)CC1 1749193987 VYQQWIAAQAVGKI-KRWDZBQOSA-N 463.579 2.226 30 10 JEEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2c(F)ccc(F)c2C1 1749213626 PBLKBSFHQKPRDY-AWEZNQCLSA-N 455.531 2.322 30 10 JEEE C=C(Cl)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1749280951 VNNXUFZQDTWUMP-CYBMUJFWSA-N 485.759 2.063 30 10 JEEE C=CCCCn1c(C)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)C2(CCS(=O)(=O)CC2)C1 1749414601 DGKNQSMTPBELQH-QGZVFWFLSA-N 453.609 2.461 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2sc3ccccc3c2Cl)nnc1N1CCNC(=O)C1 1749723809 CUSNCMHQZVDBEJ-UHFFFAOYSA-N 465.988 2.350 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@@H](CCOC)C1 1749734425 IXRXYRLHAYLJKZ-PXNSSMCTSA-N 462.572 2.254 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CC=CCC1 1749738455 NKPWVKOJSXXKKQ-UHFFFAOYSA-N 470.643 2.010 30 10 JEEE C#CCCCn1c(N2CCN(c3cnn(C)c3)C(=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1760159522 JHNMJPQNISGISJ-HDICACEKSA-N 482.589 2.049 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCCN2CCCCC2=O)CC1 1760251619 DOHYVIDAZNFMBI-UHFFFAOYSA-N 498.031 2.019 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H]2CC=CCO2)CC1 1760266822 NRWXFNBPILGZLA-SFHVURJKSA-N 487.402 2.357 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2Cc2nccn2C(F)F)CC1 1760271542 BGVQRTRDKWNTOZ-UHFFFAOYSA-N 474.541 2.240 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CCC[C@@H](NC(C)=O)C1 1760552769 AIYLKHYRUOBNIY-MRXNPFEDSA-N 451.980 2.304 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1CC1CCOCC1 1761483895 AHCTYHJCMBDNTB-QGZVFWFLSA-N 488.614 2.234 30 10 JEEE CCOC(=O)N[C@@H](CC(C)C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C(N)=O)C1 1765717276 HOKVOTRFBPASER-MOPGFXCFSA-N 453.547 2.289 30 10 JEEE COc1ccc(Cn2c(Cc3ccncc3)nnc2N2CCO[C@H](C#N)C2)c(OC)c1OC 1768679363 ANCSWKNWZDRZEP-GOSISDBHSA-N 450.499 2.067 30 10 JEEE COc1cccc([C@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2CCCNC=O)c1 1862569886 XDECZMXPCBFJKZ-NRFANRHFSA-N 454.479 2.427 30 10 JEEE COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CCN(C)C)cc(OC)c1O 1862632405 OIMFDCOHQWGKRM-HXUWFJFHSA-N 470.478 2.278 30 10 JEEE COc1cc(-n2nnc(C#N)c2NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)cc(OC)c1OC 1870149149 HNDZGSHCNZLEPD-INIZCTEOSA-N 476.493 2.152 30 10 JEEE C=CCN=c1nc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)[nH]c(=Nc2ccccc2C)[nH]1 1871482714 JRPZKVZFIBGNDW-UHFFFAOYSA-N 459.554 2.416 30 10 JEEE NC(=O)CSc1nnc(Cc2ccc(F)cc2)n1/N=C/c1cc2c(cc1[N+](=O)[O-])OCCO2 1874377677 IPUBWDRKJBJHKF-AUEPDCJTSA-N 472.458 2.147 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2126936896 GIGSHJBPCSANIB-QFIPXVFZSA-N 450.316 2.435 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2CCO[C@@]2(C(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)C1 2206614621 QZQHKHSWIZIBBK-CMJOXMDJSA-N 459.352 2.345 30 10 JEEE CCc1nc(C(=O)N[C@@H]2CON(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2255652486 VJSZMHNBKCWGDS-LBPRGKRZSA-N 453.370 2.285 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2csc(B3OC(C)(C)C(C)(C)O3)c2)[C@H](CO)C1 2255710269 IJZOVBZUVWTKDR-HNNXBMFYSA-N 452.382 2.101 30 10 JEEE CC(C)(C)OC(=O)NC[C@H](CO)NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1Cl 2255764644 FPDKPIZHVDAYFM-CQSZACIVSA-N 454.760 2.255 30 10 JEEE C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1sccc1B1OC(C)(C)C(C)(C)O1 2256622976 OCYILFOSFSSXNN-XJKSGUPXSA-N 454.398 2.280 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)sc1CNC(=O)C[C@H](O)CNC(=O)OC(C)(C)C 2256680566 YWEIVOIHRCQTCO-AWEZNQCLSA-N 454.398 2.248 30 10 JEEE CO[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)c1coc(B2OC(C)(C)C(C)(C)O2)c1 2267494606 GGPXGSPYKWLMRA-HOTGVXAUSA-N 450.341 2.333 30 10 JEEE CC(C)(C)OC(=O)NCC=CCNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2267706704 DCUIFKYDJAFWEE-UHFFFAOYSA-N 470.372 2.484 30 10 JEEE C=C(CS(=O)(=O)N1[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]1COC2)B1OC(C)(C)C(C)(C)O1 2267724333 IBRMUSXEPWZXSC-IRXDYDNUSA-N 472.413 2.214 30 10 JEEE CN(Cc1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(=O)CC1(O)CN(C(=O)OC(C)(C)C)C1 2268657049 DNHONGMFIBFMSS-UHFFFAOYSA-N 466.409 2.378 30 10 JEEE C[C@@H](COCC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F)NC(=O)OC(C)(C)C 2268664928 ZQTMERMBPWYNJA-ZDUSSCGKSA-N 453.320 2.388 30 10 JEEE C[C@H](c1nscc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)[C@@H](CO)CNC(=O)OC(C)(C)C 2268717757 YWVPYJZKOJUECX-ZIAGYGMSSA-N 469.413 2.095 30 10 JEEE CC1(C[S@@](C)(=O)=NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2281978264 AOYAJIXDGFISIQ-MGBGTMOVSA-N 482.412 2.204 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CC12CCC2 2281983722 YHRQBJYDSTUNFR-HNNXBMFYSA-N 460.384 2.476 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H](F)C2CN(C(=O)OC(C)(C)C)C2)n1 2281993170 XJMNIHBOUSJRRR-MRXNPFEDSA-N 466.363 2.137 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(F)c(C(=O)N(CCO)CCNC(=O)OC(C)(C)C)c1 2282020339 XMGBQUYYEPPUJU-UHFFFAOYSA-N 466.359 2.393 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCC[C@@H](CNC(=O)C(F)(F)F)C2)n1 2282037823 AKPGCDMDNCNJCP-AWEZNQCLSA-N 455.286 2.220 30 10 JEEE CC(C)(C)OC(=O)NC[C@]12CN(C(=O)c3occc3B3OC(C)(C)C(C)(C)O3)C[C@@H]1CCO2 2282049459 ZLNGNDOCRXBOIF-WNSKOXEYSA-N 462.352 2.335 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O 2282138729 GMZHHYCDZJTAGS-RTBURBONSA-N 460.380 2.394 30 10 JEEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1CCNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2282181463 GLKVBKNYFWSIGM-CVEARBPZSA-N 460.384 2.399 30 10 JEEE Cc1cc(S(=O)(=O)N2CC[C@@H](NC(=O)C(F)(F)F)[C@H](C)C2)sc1B1OC(C)(C)C(C)(C)O1 2282327324 GJFGIQSNBUBMND-CHWSQXEVSA-N 496.382 2.433 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2c(F)cccc2B2OC(C)(C)C(C)(C)O2)C1 2282465032 FBFWXEXLUWIHIW-WMLDXEAASA-N 464.343 2.083 30 10 JEEE COc1ccc(S(=O)(=O)N(C)CCN(C)C(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2282500879 OWMZUVJEWJTVKE-UHFFFAOYSA-N 484.424 2.482 30 10 JEEE COc1ccc(S(=O)(=O)NCC2CN(Cc3ccccc3)C2)cc1B1OC(C)(C)C(C)(C)O1 2282501116 SRELULHKISDBPN-UHFFFAOYSA-N 472.416 2.405 30 10 JEEE CC(C)(C)OC(=O)N1[C@@H](CNC(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)COC1(C)C 2282526003 UMCWZNQQJOPLEC-HNNXBMFYSA-N 461.368 2.483 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2C[C@H]3[C@H]2CCN3C(=O)OC(C)(C)C)n1 2282589342 MNQSFDRNVZFEQN-UAGQMJEPSA-N 460.384 2.330 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)OCC12CC2 2282624851 ZPAUHEQGUSSELO-MRXNPFEDSA-N 461.368 2.212 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@@H]1CNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1O 2282884475 OOHWGJZIDUCUEV-INIZCTEOSA-N 462.352 2.057 30 10 JEEE CC1(CNC(=O)OC(C)(C)C)CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(O)cc2O)C1 2282912399 QPEVNCYQUIUFHE-UHFFFAOYSA-N 462.352 2.384 30 10 JEEE CC(C)(C)OC(=O)NC1CC(O)(C(=O)N2Cc3cccc(B4OC(C)(C)C(C)(C)O4)c3C2)C1 2284052699 ZNBJURSPFAZCCN-UHFFFAOYSA-N 458.364 2.246 30 10 JEEE CC1(C)OB(c2cccc(C(=O)NCCN(CC(=O)O)Cc3ccccc3)c2F)OC1(C)C 2284472082 ZCFGDQKSMQOALN-UHFFFAOYSA-N 456.323 2.442 30 10 JEEE CCOC(=O)C(C(=O)CSCC(=O)Nc1ccc(C)cc1)=C(N)NC(=O)c1ccccc1 2294317161 CUPNANWQEMLKGM-UHFFFAOYSA-N 455.536 2.399 30 10 JEEE COc1ccc(C=Nn2c(CCc3ccc(OC)c(OC)c3)nnc2SCC(N)=O)cc1O 2326183082 ITSJBECTCYSBPX-UHFFFAOYSA-N 471.539 2.254 30 10 JEEE Cc1c(C(=O)N[C@@H]2C[C@H]3C[C@@H]2N(C(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)nn1C 2359530040 UOKVLOQTDDJWDY-XHSDSOJGSA-N 460.384 2.155 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C[C@@]12CCOC2 2362505347 NAATZFQPNKNRBN-JLCFBVMHSA-N 479.408 2.341 30 10 JEEE Cc1cc(CN=c2nc(CNC(=O)OC(C)(C)C)[nH]n2C)cc(B2OC(C)(C)C(C)(C)O2)c1 2369677155 IJISJQZXADXCLV-UHFFFAOYSA-N 457.384 2.481 30 10 JEEE CCOc1ccc(/C=N/Nc2nc3c(c(=O)[nH]c(=O)n3C)n2C[C@H](O)COc2cccc(C)c2)cc1 107071863 RTCFBIBKBWERMT-NPSPNJCMSA-N 492.536 2.016 30 10 JEEE C=CCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](OCc2ccc(OC)cc2)[C@H]1OCc1ccc(OC)cc1 575449035 IQUHAHWLUCWASF-RXFVIIJJSA-N 460.523 2.455 30 10 JEEE N#Cc1ccc(CNC(=O)C(=O)N2C[C@H](C(=O)N3CCCCC3)Oc3ccccc32)c(F)c1 609256261 ZLPSYANLCGRFMF-OAQYLSRUSA-N 450.470 2.120 30 10 JEEE CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 726312079 BPZXLMSLINVBJC-GOTSBHOMSA-N 461.566 2.339 30 10 JEEE C=CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC(=O)N(C)C[C@@H]1C(=O)O 757525998 KKXNWDHCQLVVGX-FCHUYYIVSA-N 477.517 2.224 30 10 JEEE NS(=O)(=O)c1ccc(NC(=O)CCSc2n[nH]c(NN=Cc3ccccc3F)n2)cc1 1083911739 VDGZXMZJPGJVLZ-UHFFFAOYSA-N 463.520 2.158 30 10 JEEE COc1cc(C=NNc2nc(SCC(=O)NCc3cccc(OC)c3OC)n[nH]2)ccc1O 1083929486 GWZCGPDNCKSTNG-UHFFFAOYSA-N 472.527 2.391 30 10 JEEE Cc1nn(CCO)c(C)c1C=NNc1nnc(SCC(=O)Nc2cc(Cl)ccc2Cl)n1N 1084235192 CEJWSPWAXAJOPJ-UHFFFAOYSA-N 498.400 2.281 30 10 JEEE C#CCCCCn1c(-c2ccccn2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1286319679 QVIZSNKHLNVETF-JOCHJYFZSA-N 451.619 2.375 30 10 JEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cc(C)ccc1F 1286322226 DKJNEOLYRUFEDL-HXUWFJFHSA-N 463.579 2.498 30 10 JEEE C#CCCCCn1c(Cc2ccccc2OC)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1286327631 JVAPWRZJWNMARG-UHFFFAOYSA-N 450.543 2.202 30 10 JEEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@H](C(=O)NCCC)C1 1286347788 BVUQYOMJTLHIJG-SFHVURJKSA-N 461.570 2.348 30 10 JEEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCN1CCOC(C)(C)C1 1286369218 HQSBEVYRHSGBGJ-UHFFFAOYSA-N 463.586 2.416 30 10 JEEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(F)cc1F)[C@@H]1CCS(=O)(=O)C1 1286380214 BIAWPNNVHSPYCH-AUSIDOKSSA-N 494.564 2.272 30 10 JEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1cc(F)ccc1SC)[C@H]1CCS(=O)(=O)C1 1286381120 LMTNMMQEIRGMHC-SFHVURJKSA-N 491.614 2.050 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCCn1nc(C)cc1C)[C@@H]1CCS(=O)(=O)C1 1286397397 ZBPFUBYMXZWXAR-WOJBJXKFSA-N 460.604 2.050 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)nc2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1286403492 KMMUPUVJJRSCTO-LJQANCHMSA-N 453.978 2.009 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC1(O)CCCC1 1286462704 SDVUBCGBRQCJMO-UHFFFAOYSA-N 464.570 2.456 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2Cc2c(C)cc(C)cc2C)CC1 1286492942 CARHOKISMWCWAS-UHFFFAOYSA-N 462.598 2.340 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)Oc1ccc(OC)cc1 1286516030 BFRJEIRHLISFCV-HYFFOGBASA-N 461.588 2.357 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2nnc(C(C)C)o2)C1 1286537525 DWWFMDNZMKSXFE-QWHCGFSZSA-N 466.340 2.222 30 10 JEEE C=C(Cl)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1286623427 RQRODRHODFHVMY-HNAYVOBHSA-N 466.007 2.258 30 10 JEEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1CCC(CC(=O)N2CCN(CC)CC2)CC1 1286690833 WRKORDIYJZBQAJ-UHFFFAOYSA-N 459.639 2.153 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCC(N2CCCCC2=O)CC1 1286820101 DZIVYQDFOQTHLP-IBGZPJMESA-N 465.620 2.102 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1286821477 MHKYZMMOCMEGQB-ZHRRBRCNSA-N 482.553 2.132 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1Cc1nc(C)cs1)[C@H]1CCS(=O)(=O)C1 1300505160 YKWBWIKTCRKJHG-SFHVURJKSA-N 482.591 2.169 30 10 JEEE C#CCN(CC#CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H]1CC[C@H](CO)O1 1300578593 NBYLIDOZRLEHQB-LEWJYISDSA-N 471.602 2.395 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@](C)(O)CCC 1300672331 YVTCVSROVIONHB-WZONZLPQSA-N 465.595 2.224 30 10 JEEE C=C(Cl)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1301023593 HTXFETMWCDMUKU-QGZVFWFLSA-N 462.963 2.203 30 10 JEEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1301040157 DBEPZHZFEHFFQO-INIZCTEOSA-N 460.000 2.237 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(F)cc1C)C1CC1 1301327921 ZZOBRIKVWLZHPH-FQEVSTJZSA-N 463.579 2.456 30 10 JEEE C=CCn1c(CCc2ccc(OC)cc2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1301467693 BFBRLCRSGVWDBN-UHFFFAOYSA-N 452.603 2.392 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC2(C(=O)N(C)C)CCCC2)C1 1301568271 QIZPXCLWRXCDPY-ZCNNSNEGSA-N 461.607 2.432 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CC[C@@](O)(c2ccc(C)cc2)C1 1301587858 AKFDMCYWVZPPHS-XXBNENTESA-N 460.600 2.179 30 10 JEEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCCCS2)C1 1303939359 DLPZCCUSQBPGSC-FUHIMQAGSA-N 468.649 2.027 30 10 JEEE COc1ccc(S(=O)(=O)N2CCC(CNC(=O)NCC3(C#N)CCC3)CC2)cc1OC 1311984304 HYCIXPKESPRXIB-UHFFFAOYSA-N 450.561 2.098 30 10 JEEE CS(=O)(=O)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nccc(C(F)F)n2)CC1 1316351488 DUKNFKMPQCCDFJ-UHFFFAOYSA-N 488.524 2.064 30 10 JEEE N#C[C@H]1CN(C(=O)C2(S(=O)(=O)c3ccccc3)CCOCC2)CCN1Cc1ccccc1 1353331989 CDRWXPMYQXGDOX-NRFANRHFSA-N 453.564 2.246 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CCN(C)C(=O)OC(C)(C)C)c1 1358902060 DLJLZEVAKWWJCT-IBGZPJMESA-N 495.584 2.152 30 10 JEEE C#CCCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CC(=O)N(C)[C@H](C)C1 1358915604 JNFNROHRQABTGQ-JOCHJYFZSA-N 463.630 2.113 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1cc(COC(C)(C)C)on1)[C@H]1CCS(=O)(=O)C1 1358961501 ADDNCRLRWZRLKC-ICSRJNTNSA-N 491.614 2.498 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@@H](C1CC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1358967205 GAAKKFHVSLIOOV-IRLDBZIGSA-N 471.627 2.132 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCC[C@H](C)C1 1359025124 DKZBZQWQUXEMCA-LEWJYISDSA-N 490.649 2.404 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCN(CC)C2CC2)CC1 1359042200 WLGQGKVLLYMZRZ-UHFFFAOYSA-N 488.434 2.486 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccn2)nnc1N1CCC(C(=O)NCCOC)CC1 1359095627 PZYFMRZZELUEHW-PZJWPPBQSA-N 454.575 2.300 30 10 JEEE C=C1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1359160723 BDKHPFMSRWJCKJ-IBGZPJMESA-N 467.389 2.414 30 10 JEEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCc2c(ccnc2N(C)C)C1 1359304056 JWOQYSUNBPJDKG-UHFFFAOYSA-N 461.570 2.491 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCO[C@H](C(C)C)C1 1359332824 HZIHVQKHQORBPA-VQTJNVASSA-N 462.572 2.253 30 10 JEEE CS(=O)(=O)c1cc(S(=O)(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)ccc1Cl 1462727700 BMJOJRKFEPJRHX-UHFFFAOYSA-N 453.973 2.122 30 10 JEEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Br)ccc1OCCC 1462874256 NKHASDJCEYZVAG-AWEZNQCLSA-N 450.376 2.049 30 10 JEEE C[C@H]1C[C@H](C)CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCS(=O)(=O)CC2)C1 1493248290 GVENLAUHUUCAQK-ROUUACIJSA-N 473.599 2.151 30 10 JEEE CNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCC[C@H]2C)CC1 1503767607 FSKZHWFTBKXFMY-OSPHWJPCSA-N 452.559 2.242 30 10 JEEE COC[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1)OC 1504584799 DVEDKJIFKNQPEY-FCHUYYIVSA-N 454.575 2.375 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@@](C)(O)CCC(C)C)[C@H]1CCS(=O)(=O)C1 1507634019 HXSUBGQKFLQDFY-UGKGYDQZSA-N 479.672 2.448 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CCOc1ccc(Cl)cn1)[C@@H]1CCS(=O)(=O)C1 1507634963 OSVKCSPNJYTBLW-LJQANCHMSA-N 486.985 2.018 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCN1CCC)[C@H]1CCS(=O)(=O)C1 1507640618 UQIWSYPRXOZPIV-VXKWHMMOSA-N 496.637 2.230 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@H](C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 1507640642 VBOYEJKGOZVVAO-IRLDBZIGSA-N 496.637 2.087 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc3cccnc23)n1CCOCCS(C)(=O)=O 1507668480 FJKZDEVDOLHCSQ-UHFFFAOYSA-N 451.552 2.017 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCCS1 1507705903 IFPFLBXXSQYNBL-GOSISDBHSA-N 463.629 2.177 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnn(C)c3)n2C[C@]2(C)CCCS2)n1 1507716174 IBTFHCLUCIDHDE-QFIPXVFZSA-N 454.604 2.447 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2CCCN2CCCO[C@H](C)C2)CC1 1507720090 DQKLDWVUSYYMMY-OAQYLSRUSA-N 452.603 2.210 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@](C)(O)c2ccccc2)CC1 1507740393 SBCGIZKIKBCYLO-SANMLTNESA-N 458.566 2.137 30 10 JEEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](Cc2ccccc2)C1 1507751397 NUHZGHVWXXIDMA-NHCUHLMSSA-N 489.667 2.046 30 10 JEEE C=C(C)CN(CC)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1507821563 GZEZKCDBWONBCB-SFHVURJKSA-N 453.595 2.304 30 10 JEEE C=C(C)COCCn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1507842085 CDYDKWISVWDZEK-LJQANCHMSA-N 460.604 2.246 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCC(=O)N(C)C 1508008162 LFCOJBZPDGVNMU-INIZCTEOSA-N 451.618 2.303 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccnc(OC3CCOCC3)c2)C1 1508110866 VAUVSQGTDTWPRR-FQEVSTJZSA-N 470.574 2.199 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1508141881 PUVUGQVXBXDKCU-UHFFFAOYSA-N 455.588 2.130 30 10 JEEE CN(Cc1ccc(C#N)cc1)c1nnc(CN2CCCC2=O)n1CCNC(=O)OC(C)(C)C 1517107120 FMBSPKOXOMALHF-UHFFFAOYSA-N 453.547 2.433 30 10 JEEE CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NCc1ccc(C#N)cn1)n2C 1527501642 AFTXLELDRHYCFD-UHFFFAOYSA-N 454.556 2.119 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCN1CCN(C)C(C)(C)C1 1539002271 BWSNSZHSHFJOCZ-LJQANCHMSA-N 476.629 2.159 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2CCC2(O)CCOCC2)c1 1539046547 VZMLFCDMKPWACD-UHFFFAOYSA-N 474.565 2.252 30 10 JEEE C#CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C)C(=O)[C@H]1C 1539071066 KXEURUVIPZJVSD-MSOLQXFVSA-N 460.579 2.057 30 10 JEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@](C)(O)c1ccsc1 1539154059 FQBVAIVESIDOBY-OAQYLSRUSA-N 459.597 2.234 30 10 JEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCCSc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1539200175 ARXNDGOZLMTMKP-LJQANCHMSA-N 487.651 2.323 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CCNC(=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1539211630 JNFJQPIZHHCXED-FQEVSTJZSA-N 471.627 2.297 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccc(OCCC)cc1)[C@@H]1CCS(=O)(=O)C1 1539222424 VYMMZTCSTTWOHD-WOJBJXKFSA-N 458.584 2.246 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCO[C@H]1C(=C)C)[C@@H]1CCS(=O)(=O)C1 1539226212 VFSBTGNZVCCWBB-DSKINZAPSA-N 475.640 2.242 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2ccc(O)cc2)CC1 1539452048 JMOQIKGBENEDTE-OAQYLSRUSA-N 482.585 2.096 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2CCCCN2CC)CC1 1539468247 CDGWVAAEPPBIRB-NVQXNPDNSA-N 486.661 2.159 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(CC(=O)N(C)C)CC1 1539613058 TYGSOPCFLDKAFO-FPOVZHCZSA-N 458.607 2.190 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C)C1 1540881130 ZDTNBTLODUVLLE-NQIIRXRSSA-N 475.615 2.460 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCCCCC1 1540898789 UZZYQWYBPFRQGX-UHFFFAOYSA-N 481.644 2.177 30 10 JEEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1CN1CCCC1=O 1541803084 CAFVACOKCZHCDR-YLJYHZDGSA-N 470.599 2.089 30 10 JEEE CC[C@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@H](C)N1CCN(CC)CC1 1545545988 HZVPBCQSQQDWEF-PCCBWWKXSA-N 480.665 2.194 30 10 JEEE CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC1CN(C(=O)OC(C)(C)C)C1 1548170708 BHJWKWVLIKWVIB-UHFFFAOYSA-N 482.589 2.275 30 10 JEEE CN(Cc1cnn(C)c1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1554184126 CKJKFWIFBHZIBP-LJQANCHMSA-N 474.491 2.450 30 10 JEEE C=CCn1c(S)nc2cc(C(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)ccc2c1=O 1556131978 AZYLHSQALBAJLY-YOEHRIQHSA-N 455.540 2.360 30 10 JEEE CC(C)(C)OC(=O)N1CCN(CC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)CC1 1584356033 AQKIGRVKWLUKAI-UHFFFAOYSA-N 455.559 2.288 30 10 JEEE C#CCCCn1c(COc2ccc(OC)cc2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1587888950 QAYOVRURXXLEGS-UHFFFAOYSA-N 480.613 2.414 30 10 JEEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1CCCS(=O)(=O)c1ccccc1 1588011446 BBIBRQCEEILKPU-UHFFFAOYSA-N 457.581 2.203 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1Cc1ccc(NC(C)=O)nc1)[C@@H]1CCS(=O)(=O)C1 1588046219 ZZBCPVUCOVOVBF-HXUWFJFHSA-N 478.578 2.282 30 10 JEEE C#CCN(c1nnc(C2CC2)n1Cc1cccnc1OCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1588049971 OONGRWCEBYGTSS-MRXNPFEDSA-N 469.489 2.167 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CC(=O)N(c2ccccc2)C1 1588174271 VUZRAOJMKJVONC-HXUWFJFHSA-N 467.533 2.441 30 10 JEEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cnc(-c3c(Cl)cccc3Cl)s2)CC1 1588199520 SESZFKQDUQIUCN-UHFFFAOYSA-N 459.380 2.342 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CCC(=O)N1 1588228958 NPHXFBFJGBKXPT-RBUKOAKNSA-N 454.575 2.134 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC1CC(OC(C)(C)C)C1 1588384951 DNBVTHWZDVZTLH-ACBHZAAOSA-N 467.636 2.054 30 10 JEEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1CCc1cccc(C(=O)NC)c1 1588445969 VJZCKZMNAJTUIT-UHFFFAOYSA-N 450.568 2.331 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2ccccc2OCC=C)CC1 1588924110 VJBXFMUZMGVENH-UHFFFAOYSA-N 457.538 2.314 30 10 JEEE C#CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCN(c2nccc(OC)n2)CC1 1588992989 BMOOFJQADVUQKJ-UHFFFAOYSA-N 465.583 2.445 30 10 JEEE C=C(C)COCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@](C)(C(=O)NC)C1 1593702971 AZOFHVLNBNNHOT-QHCPKHFHSA-N 489.646 2.102 30 10 JEEE C=C(Cl)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCN(CC(=O)N(C)C)CC1 1593872378 FZGAVRJPRQLGBM-UHFFFAOYSA-N 499.019 2.028 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC(C(=O)NCc2ccc(C)cc2)CC1 1595522243 AASAWCNMBJMRMX-UHFFFAOYSA-N 475.597 2.427 30 10 JEEE COc1cc(OC)c2c(c1Cl)O[C@@]1(C(=O)C=C(NC3CCN(S(C)(=O)=O)CC3)C[C@@H]1C)C2=O 1615244981 SHUTZBLPONYWPA-YTEVENLXSA-N 498.985 2.178 30 10 JEEE C=CCn1c(S)nnc1-c1sc(NC(=O)[C@@H](NC(=O)C2CCCC2)[C@H](C)O)nc1C 1628356771 DDUXRVHLCCXSSZ-AAEUAGOBSA-N 450.590 2.179 30 10 JEEE C#C[C@@H]1CCCCN1CC(=O)NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 1656425919 FAPOIAAXJVKRGX-BKAYVGFPSA-N 457.577 2.220 30 10 JEEE C#CCOc1ccc(NC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc1 1659230692 WCYAAZXGKREJCG-UHFFFAOYSA-N 457.508 2.008 30 10 JEEE C#C[C@@H](NS(=O)(=O)c1cc2c(cc1OC)NC(=O)CO2)c1ccc(Br)cc1 1663549309 XOMZKHLQKRFAPL-CYBMUJFWSA-N 451.298 2.441 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NS(=O)(=O)c2cc(Br)ccc2C#N)C1 1668498172 AMSIWPWBAGIAJI-JSGCOSHPSA-N 455.334 2.358 30 10 JEEE C#CCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1Cc1ccc(N2CCOCC2)nc1 1689944473 RPIINTXBGLSMKP-UHFFFAOYSA-N 459.554 2.497 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1Cc1nncn1-c1ccccc1)[C@H]1CCS(=O)(=O)C1 1689980554 UKQFMGYDKFNSCU-MJGOQNOKSA-N 453.572 2.047 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@](C)(OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1689983026 ZDIZXWPHLCYKSX-XXBNENTESA-N 458.584 2.396 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ccccc1Br)[C@@H]1CCS(=O)(=O)C1 1689988968 ZQTPFAMRAWMJFS-MRXNPFEDSA-N 487.383 2.173 30 10 JEEE C#CCN(c1nnc(COc2ccccc2OC)n1C[C@@H]1CCC[C@H](O)C1)[C@@H]1CCS(=O)(=O)C1 1689996742 NLJHAQFJVIUFLA-AQNXPRMDSA-N 488.610 2.044 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1690031792 XTZCBRVKPKYGBB-ZNTNEXAZSA-N 485.548 2.137 30 10 JEEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1CN1CCCCC1 1690059626 UHOZJFQZIXVCNJ-IBGZPJMESA-N 458.632 2.382 30 10 JEEE C#CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1CCNC(=O)OC(C)(C)C 1690104689 FRAKUJCVCIREFW-UHFFFAOYSA-N 453.547 2.127 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC[C@@H]2CCCCO2)CC1 1690124346 JORRXJOXQFKCJN-LEWJYISDSA-N 488.633 2.301 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCSC)CC1 1690139719 YJSDOZYUWCIPKK-UHFFFAOYSA-N 475.640 2.068 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2C[C@H](OC)C(C)C)CC1 1690144095 LROYLKSVYRRXMW-FQEVSTJZSA-N 477.569 2.231 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1690195985 UKLVSBLNKNBRAX-DUXKGJEZSA-N 471.524 2.185 30 10 JEEE C=C(Br)Cn1c(N2CCC3(CC2)CNC(=O)C3)nnc1[C@]1(OC(C)C)CCOC1 1690234602 JEICVPXOZYRSFN-FQEVSTJZSA-N 468.396 2.334 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1690251745 YRTDIVQAWOGWII-GHTZIAJQSA-N 474.606 2.439 30 10 JEEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1690361243 MABRIQFHPURSLW-BBWFWOEESA-N 471.986 2.485 30 10 JEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1C[C@H](OCC)C1(C)C 1690484747 CJRLIDHHFVNPHX-BZSNNMDCSA-N 455.625 2.217 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1690675720 CNBIPTPUSQELPH-UHFFFAOYSA-N 469.590 2.052 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H]3CCCOC3)nnc2N(C)CC(=O)N2CCOCC2)cc1 1690680466 SLTDVYTWADNXTQ-HXUWFJFHSA-N 455.559 2.080 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(C(=O)NC)CC1 1690725239 JNOOVLNFAXCOCJ-UHFFFAOYSA-N 466.007 2.086 30 10 JEEE CC(=O)N1CCC[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N(CCS(C)(=O)=O)C2CC2)C1 1690806747 IFHPPDZRWFNEGW-IBGZPJMESA-N 470.599 2.089 30 10 JEEE CCNC(=O)C(C)(C)Cn1c(-c2cccc(C)n2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1695912607 ASJMIJPWPPKICA-UHFFFAOYSA-N 473.585 2.404 30 10 JEEE CCS(=O)(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCSC2)CC1 1696492024 CSPACTWFWLAKIK-KRWDZBQOSA-N 460.629 2.478 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1)[C@@H]1CCS(=O)(=O)C1 1705561751 WJLJPXCDWIGFEU-SVFBPWRDSA-N 486.642 2.087 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1CCc1ccncc1)[C@@H]1CCS(=O)(=O)C1 1705568572 QHBOQFNVMMIDHC-OAQYLSRUSA-N 465.579 2.430 30 10 JEEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1C[C@H](C)OC)[C@H]1CCS(=O)(=O)C1 1705568763 UVSODUZTWZIYMO-RDJZCZTQSA-N 452.964 2.172 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNC(=O)OC(C)(C)C 1705620518 WDINJQAWWFHEIW-SFHVURJKSA-N 491.589 2.484 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2C[C@@]2(C)CN(C)C2=O)CC1 1705633216 LXGUPVPNOGTUGF-UQBPGWFLSA-N 466.586 2.050 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@](C)(O)c2cc(C)oc2C)CC1 1705633945 COEISUGKDQYGJV-RUZDIDTESA-N 497.621 2.221 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCc2sc(C)nc2C)CC1 1705635286 VQUAJDHPVWSUAJ-QHCPKHFHSA-N 458.632 2.390 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCCN2CCOCC2)CC1 1705636570 PFZQTYQCDCOCOP-UHFFFAOYSA-N 458.994 2.085 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@](C)(O)c2ccc(F)cc2)CC1 1705649201 OMAVQBQRVIODRB-VWLOTQADSA-N 462.529 2.353 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(OC)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1705710219 VZAMIZFEIDONPY-XJABCFGWSA-N 476.599 2.470 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)c(OC)c1 1705716447 LKIHNKKCKXKQMW-FQEVSTJZSA-N 463.604 2.379 30 10 JEEE C=C(C)Cn1c(N2CCN([C@@H](C)C(=O)N3CCCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1705728654 RMYASCIOHZZNBT-GBXCKJPGSA-N 460.623 2.028 30 10 JEEE C=CCCCn1c(N2CCN(c3nc(C)cc(OC)n3)CC2)nnc1[C@]1(OCC)CCOC1 1705824220 JPSLQRGFJVFRKU-QHCPKHFHSA-N 457.579 2.330 30 10 JEEE C=CCn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1705888638 KDMJHMUQLQTYSC-UWJYYQICSA-N 454.575 2.137 30 10 JEEE C=CCn1c(COc2ccc(OC)cc2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1705892703 BEIGKNPCXJUEDK-KRWDZBQOSA-N 451.531 2.449 30 10 JEEE CCN1CCN(C[C@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(CCOC)[C@H](C)C2)CC1 1710292456 COOYLYMRDBTQAA-XZOQPEGZSA-N 494.688 2.247 30 10 JEEE C#CCN(c1nnc(Cc2c[nH]c3ccccc23)n1C[C@@H](C)COC)[C@H]1CCS(=O)(=O)C1 1722372098 PADDIPUNJMMGJD-MJGOQNOKSA-N 455.584 2.259 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2CCCO[C@H]2CCOC2)CC1 1722448508 DACIRQVPPBLMIL-FQEVSTJZSA-N 457.600 2.092 30 10 JEEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1722458359 ZWHFURKKQBLXOJ-AVRDEDQJSA-N 467.643 2.004 30 10 JEEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1722460643 YVRUDZGCCDNKSW-RTWAWAEBSA-N 468.627 2.235 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(CC2CCOCC2)CC1 1722691570 RQBZASVRFKFRCD-IBGZPJMESA-N 486.592 2.408 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C2CC2)C1 1722696739 AOSDQAFOUORPMA-FUHWJXTLSA-N 455.563 2.315 30 10 JEEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1722701048 DNDOYJXCHNHBKX-BVZFJXPGSA-N 482.585 2.305 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1cnn(C)c1C 1722704133 ONMNBCFSXNPFIQ-SFHVURJKSA-N 472.594 2.331 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cn(C)nc2-c2ccccc2)C1 1722711473 VCWJQGFJXNREPS-XLIONFOSSA-N 485.614 2.118 30 10 JEEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](S(C)(=O)=O)C1 1740597695 XGEQFOYPXJMFCL-IRXDYDNUSA-N 451.593 2.387 30 10 JEEE C#CCN(c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCNC(=O)C1CC1)[C@H]1CCS(=O)(=O)C1 1740618478 IINPAGZBROAGIW-NRFANRHFSA-N 483.638 2.396 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(Br)cn2C)n1CCS(=O)(=O)CC=C 1740647122 OKNLEOGMFJSHRZ-UHFFFAOYSA-N 464.389 2.110 30 10 JEEE C#CCN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1740663444 JFPJFJRQXIGMBS-NTKDMRAZSA-N 468.606 2.279 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@H]2CCN(CCC)C2)CC1 1740698768 VOZONEXSGCVSOE-FQEVSTJZSA-N 482.629 2.458 30 10 JEEE C#CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC(C(=O)OC)CC1 1740716609 VFQDWJAVJNULFP-UHFFFAOYSA-N 480.594 2.431 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)N1CCN(c2ccccc2)CC1 1740724939 KMBSKZATVXNMHX-TYBLODHISA-N 499.685 2.091 30 10 JEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2cccc(Cl)c2)CC1 1740792614 JOWOVFICHTWFEK-LJQANCHMSA-N 472.977 2.438 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(C)COCCO1 1740920400 CCKJDAVKVWSSAW-XMSQKQJNSA-N 464.563 2.317 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCCN(c2nccc(OCC)n2)CC1 1740956652 WUOKSVJIUURYRR-UHFFFAOYSA-N 492.584 2.161 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1740975749 XPAMKPSUCNLGDB-IEBWSBKVSA-N 491.614 2.025 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H]2[C@@H](C1)C2(C)C 1740992468 QPMVJNOVQZAKRP-KSZLIROESA-N 495.646 2.280 30 10 JEEE C=CCSCCn1c(N2CCN(c3cc(C#N)ccn3)CC2)nnc1[C@]1(OCC)CCOC1 1741004823 NGTMVHFWWQETOX-QHCPKHFHSA-N 469.615 2.443 30 10 JEEE CC(C)n1nc(-c2nnc(N3CCC(C#N)CC3)n2CCCS(C)(=O)=O)c2ccccc2c1=O 1741631813 HHBPBYFYKIAODI-UHFFFAOYSA-N 483.598 2.411 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H]2CCOC2)c1 1748691748 LVFVVRPGQNMSRR-YADARESESA-N 453.543 2.023 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1C[C@@H](c1ccc(C)o1)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1748818345 YYIXSSHDEZVTIN-RTWAWAEBSA-N 489.642 2.078 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1Cc1cccc(C(OC)OC)c1)[C@@H]1CCS(=O)(=O)C1 1748821297 OJJDRUVQFDIRNU-HXUWFJFHSA-N 458.584 2.197 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC(C)(C)N1CCOCC1 1748886209 AJFLESNVJJDFDA-UHFFFAOYSA-N 487.608 2.249 30 10 JEEE C#CCN1CCN(c2nnc([C@H](CC)c3ccccc3)n2C[C@@H]2CC(=O)N(CCOC)C2)CC1 1748976823 AYZHHUKBJFGDRR-FYYLOGMGSA-N 464.614 2.070 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCCN2CCCC2)CC1 1749001576 WXLOSOZXMZJJNN-OYRHEFFESA-N 471.650 2.290 30 10 JEEE C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCCN(c2nccc(OCC)n2)CC1 1749170290 JMYVUDMJMURBJS-UHFFFAOYSA-N 463.546 2.407 30 10 JEEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1749195315 KWECGSMJORFGBE-DLBZAZTESA-N 464.567 2.440 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCNc2nccc(C(F)(F)F)n2)CC1 1749303323 IGJSDTSZJFAHKU-CQSZACIVSA-N 471.509 2.258 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC2(O)CCS(=O)(=O)CC2)C1 1749697611 LNJNGRJBFXRIMW-XLIONFOSSA-N 494.589 2.278 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](COC)C1 1749732322 VOEDAJJRKZUFRK-RTBURBONSA-N 497.662 2.466 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1749736975 VHZFZEBYVPJYTH-UHFFFAOYSA-N 497.581 2.100 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@H]1CCCCN1CCC)[C@H]1CCS(=O)(=O)C1 1760183678 CRSZBYVSIMFTCY-UXHICEINSA-N 458.632 2.175 30 10 JEEE C#CCN(c1nnc(-c2ccccc2F)n1Cc1cnccc1OC)[C@@H]1CCS(=O)(=O)C1 1760185079 OYUDPHYPEAKWSC-QGZVFWFLSA-N 455.515 2.163 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@@](C)(O)c1ccco1)[C@@H]1CCS(=O)(=O)C1 1760192066 QARJEEHERQJOEH-HYBUGGRVSA-N 468.579 2.191 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1760200109 UNGKMCWRJDDTCT-VXKWHMMOSA-N 462.579 2.094 30 10 JEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCO[C@H]1C(=C)C 1760200938 YAWDICOTTDCZIO-QUCCMNQESA-N 452.584 2.292 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(Cl)c2C)CC1 1760265098 NSKHTSBJTYUOCG-UHFFFAOYSA-N 468.989 2.490 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)cn2C)n1CCNC(=O)c1cc[nH]n1 1760290656 LYGJZGWXXQHVCE-HXUWFJFHSA-N 471.363 2.191 30 10 JEEE C=C1CCN(c2nnc(CNC(=O)c3cccs3)n2CCc2ccc(S(N)(=O)=O)cc2)CC1 1760392028 AEEWHSVXQPUYDE-UHFFFAOYSA-N 486.623 2.316 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCOC[C@@H]1C 1760485020 QBJCMYKCVMZUJB-AZUAARDMSA-N 477.606 2.233 30 10 JEEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCCN(CC(F)(F)F)CC1 1760507573 PCDNZRBAJXZMRW-UHFFFAOYSA-N 472.537 2.456 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1760553782 ZNDTWEIBPXZEDD-UHFFFAOYSA-N 474.631 2.484 30 10 JEEE CNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@](C)(O)c2cc(C)oc2C)CC1 1769356986 BAMUWSCJVDFORY-RUZDIDTESA-N 493.568 2.308 30 10 JEEE COCC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(Cc2cc(C)on2)CC1 1770976731 GSCHHLADTREZRB-DEOSSOPVSA-N 465.558 2.223 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1772659999 RFLRSAANRAWLFW-MRXNPFEDSA-N 482.994 2.309 30 10 JEEE CC[C@](C)(NC(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1)C(=O)Nc1cccc(C#N)c1 1866594466 VNDIUWYFYYHTHM-DEOSSOPVSA-N 483.594 2.032 30 10 JEEE COc1ccc(C(=O)Nc2c(C#N)nnn2Cc2cc([N+](=O)[O-])cc3c2OCOC3)cc1OC 1870105014 WDSBPQLWUQRFPN-UHFFFAOYSA-N 466.410 2.242 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCCCC(=O)OCC)cn1CCN1C(=O)CSC1=O 1870372491 MQINHOMTAHVOOZ-UHFFFAOYSA-N 477.583 2.440 30 10 JEEE C=CCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2ccc3nc[nH]c3c2)[nH]1 1871625963 MRPWZKSVUGPVFU-UHFFFAOYSA-N 457.542 2.268 30 10 JEEE C=CCn1c(C(=O)Nc2ccc(NC(C)=O)cc2)cc2c(N3CCN(C(C)=O)CC3)ncnc21 1873645214 QTVGCCLHRYQDKK-UHFFFAOYSA-N 461.526 2.497 30 10 JEEE COc1ccc(CCc2nnc(SCC(N)=O)n2/N=C/c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 1874306586 FTPHBIKDLDFAGU-WYMPLXKRSA-N 498.521 2.211 30 10 JEEE CC(C)N1C(=O)CS[C@H](C(=O)N2CC[C@@H](Oc3cccnn3)C2)[C@H]1c1ccc(C#N)cc1 1891255386 PCDRPMCSROUHQA-QIJUGHKUSA-N 451.552 2.422 30 10 JEEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)N2CC[C@@](NC(=O)OC(C)(C)C)(C(=O)O)C2)C1 2062875269 WJTVTNQIEQCMCJ-QFIPXVFZSA-N 453.536 2.428 30 10 JEEE CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2185157013 BLKOOLZKWOCZBN-QGZVFWFLSA-N 462.352 2.058 30 10 JEEE CC(C)(C)OC(=O)NC/C=C/CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2247880112 AXLOAWPRBDLCDL-CMDGGOBGSA-N 458.411 2.407 30 10 JEEE CN(CC1CN(C(=O)OCc2ccccc2)C1)C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2255648734 NGSZVGHXZIKAIK-UHFFFAOYSA-N 468.363 2.060 30 10 JEEE CC(C)(C)OC(=O)N[C@]12C[C@H]1CN(S(=O)(=O)c1cc(B3OC(C)(C)C(C)(C)O3)cs1)C2 2255948395 LORKHNGJAQLVNG-RBZFPXEDSA-N 470.422 2.335 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C=CC[C@@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2256627668 XBYWFQGTNQKWKV-OLZOCXBDSA-N 450.370 2.057 30 10 JEEE CC1(C)OB(c2cnsc2C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)OC1(C)C 2267163932 KTVYLORXPXIENQ-SFHVURJKSA-N 457.405 2.463 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccsc2B2OC(C)(C)C(C)(C)O2)[C@@](C)(CO)C1 2267170179 RXHKOOBNBVWRIW-JOCHJYFZSA-N 466.409 2.491 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@H]1C 2267190053 JFFMGWQRNUNIDR-NEPJUHHUSA-N 461.315 2.422 30 10 JEEE Cc1cc(C(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)sc1B1OC(C)(C)C(C)(C)O1 2267235269 HZTLJTJLOFFMAB-GJZGRUSLSA-N 466.409 2.313 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H]1CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2267376616 YTHTZWUVCDUMMJ-HZPDHXFCSA-N 466.409 2.425 30 10 JEEE CC(C)(C)OC(=O)NCCCOCCNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2267726484 OEZBTUFVOOLOGA-UHFFFAOYSA-N 490.453 2.257 30 10 JEEE CC(C)(C)OC(=O)N1CC2(CC(CC(=O)N=c3nc(B4OC(C)(C)C(C)(C)O4)[nH]s3)C2)C1 2268632232 HTKQSUSHEGHVNS-UHFFFAOYSA-N 464.397 2.235 30 10 JEEE Cn1nc(C(=O)NC[C@H]2CC[C@@H]2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2271960217 MTTYHMQYEIOIRK-OLZOCXBDSA-N 468.791 2.406 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](NC(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)C[C@H]2C1 2281924263 PSMUCFCUZSGLED-JYJNAYRXSA-N 460.384 2.474 30 10 JEEE CC(C)(C)OC(=O)N1CC(c2nc(NC(=O)c3ccoc3B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2282054193 NJVGQLXOOGDIQS-UHFFFAOYSA-N 459.312 2.284 30 10 JEEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@H](CNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)C2 2282175361 WFKXYEADONMYTF-ZOBUZTSGSA-N 458.368 2.294 30 10 JEEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCC[C@H](CNC(=O)C(F)(F)F)C3)cc2)OC1(C)C 2282339525 VKLKOGBIPPVFBR-CQSZACIVSA-N 476.326 2.065 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H](CNC(=O)OC(C)(C)C)CC1(C)C 2282485714 LXAZGQQIQAQUBQ-HNNXBMFYSA-N 462.400 2.485 30 10 JEEE CC(C)(C)OC(=O)NCC[C@@H]1CN(C(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)CCO1 2282521274 YFMIYDPRCZDZFL-MRXNPFEDSA-N 461.368 2.137 30 10 JEEE CCc1nn(C)c(C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)[C@H]2C)c1B1OC(C)(C)C(C)(C)O1 2282561771 UJSTXQUAWNXKTH-ZBFHGGJFSA-N 462.400 2.409 30 10 JEEE Cn1ncc(C(=O)N[C@@H]2C[C@H](NC(=O)OC(C)(C)C)C23CCC3)c1B1OC(C)(C)C(C)(C)O1 2282568803 IMLQHLMMOFERSH-CVEARBPZSA-N 460.384 2.285 30 10 JEEE CC(C)[C@@H](CCN(C)C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2282614782 KUMSXMIVORXSIP-OAHLLOKOSA-N 465.404 2.126 30 10 JEEE CO[C@@H](C)[C@@H](CC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)c(C)n1)NC(=O)OC(C)(C)C 2283984279 UNYULDOETGWBHV-GOEBONIOSA-N 464.372 2.341 30 10 JEEE C[C@@H](NC(=O)[C@H](CCN(C)C)NC(=O)OC(C)(C)C)c1nscc1B1OC(C)(C)C(C)(C)O1 2284054431 CEPPHRNKNMVMGX-ZBFHGGJFSA-N 482.456 2.465 30 10 JEEE COc1ccc(C=C2Oc3c(ccc(O)c3CN3CCN(CCO)CC3)C2=O)c(OC)c1OC 2293039402 WKQLAINDXPCJJZ-UHFFFAOYSA-N 470.522 2.144 30 10 JEEE COC(=O)CSc1nnc([C@H]2CC(=O)N(c3ccc(OC)cc3)C2)n1N=Cc1cccnc1 2325881700 VEIWBFBJPKCOMF-INIZCTEOSA-N 466.523 2.350 30 10 JEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(C(=O)O)CCN(C(=O)OC(C)(C)C)CC1 2327112272 ITXCDKALWMVLGP-HNNXBMFYSA-N 453.536 2.264 30 10 JEEE CCN[C@](C#N)(Cn1cnc(I)c1I)C(C)(C)OC 2340690453 OKBFQHCFCJVDCZ-GFCCVEGCSA-N 488.111 2.389 30 10 JEEE C[C@@H]1CCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)C[C@@H]1CNC(=O)OC(C)(C)C 2362352860 HCTRKXIQZJCKSC-CVEARBPZSA-N 462.400 2.342 30 10 JEEE COc1[nH]c(=NCCO[C@H]2CCN(C(=O)OC(C)(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2365344466 OKZOGZFCJDJNKA-INIZCTEOSA-N 463.384 2.249 30 10 JEEE C=CCSc1nnc(NC(=O)CSc2n[nH]c(N/N=C/c3cn(C)nc3C)n2)s1 20424160 FGRYURTXFAHTFA-OMCISZLKSA-N 450.579 2.153 30 10 JEEE CC/C(C)=N/Oc1nc(NC(=O)NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)nc(N(C)C)n1 59366583 TZCBEJUULAVNDM-LSFURLLWSA-N 486.898 2.174 30 10 JEEE COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccccn2)cc1F 102754139 LQJKFIICXAKVQJ-SADKCHQCSA-N 455.486 2.373 30 10 JEEE CCN(CC)S(=O)(=O)c1ccc(C(=O)N[C@H]2CC[C@H](Oc3nccnc3C#N)CC2)cc1 238832159 GEBOYRWJKYHAOL-IYARVYRRSA-N 457.556 2.499 30 10 JEEE CCOC(=O)[C@@H]1CCCN(c2nc(O)c3c(n2)NC(=O)[C@@H](C#N)[C@@H]3c2cccc(OC)c2OC)C1 256034308 ZZOJETANXOBFRA-KMFMINBZSA-N 481.509 2.203 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)C[S@](=O)CC(=O)Nc2ccc(NC(C)=O)cc2)nc1C 586346284 XBYOHFYCOGZCRT-JGCGQSQUSA-N 478.552 2.079 30 10 JEEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc2)CC1 680517013 IYVZDGOUCZCHLR-UHFFFAOYSA-N 470.595 2.164 30 10 JEEE C#Cc1cccc(-n2c(=C(C#N)C(=O)NC(C)C)sc(=Cc3cc([N+](=O)[O-])ccc3Cl)c2=O)c1 726579911 RPRIRZBWCZCXLE-UHFFFAOYSA-N 492.944 2.470 30 10 JEEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(F)(F)CNC(=O)OC(C)(C)C 1286369378 NWKFYUSRTHTVKS-UHFFFAOYSA-N 487.511 2.421 30 10 JEEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@]1(N(C)C)CCSC1)[C@H]1CCS(=O)(=O)C1 1286386580 DBDJMVQMJPCSBB-HTAPYJJXSA-N 477.631 2.148 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H](C)c1ncc(C)s1)[C@@H]1CCS(=O)(=O)C1 1286398679 MKRXPCOIPUMRLC-KANFNMMFSA-N 493.655 2.197 30 10 JEEE C#CCN(CC)c1nnc(Cn2nc(C)cc2C)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1286450158 NJHCHUUQVVQIGL-GOSISDBHSA-N 453.513 2.252 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1CCS(=O)(=O)CC1 1286469537 IWWMFUSFHNMWSJ-IBGZPJMESA-N 495.646 2.261 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H](C)CN2CCCCC2)CC1 1286484161 FANSVXVZLMNAIJ-FQEVSTJZSA-N 469.659 2.147 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1286549208 WKOQEPSVGYWLAJ-PUHATCMVSA-N 487.693 2.394 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1286565881 QFKFJTPEDHJGNG-VPWXQRGCSA-N 480.660 2.085 30 10 JEEE C=CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCO[C@H](C(=O)NC)C1 1286700046 XPLDJRIDJQWXDX-ROUUACIJSA-N 462.595 2.310 30 10 JEEE C=CCNC(=O)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCN(C(=O)NC)CC1 1286781403 YKJFPROLBMQRJV-UHFFFAOYSA-N 480.598 2.141 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 1286786985 NUGBRGISPAUYEW-UHFFFAOYSA-N 479.972 2.453 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1286820495 MJZHHOCANINPEQ-FQEVSTJZSA-N 466.696 2.072 30 10 JEEE C=CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CCN(CC(=O)N(C)C)CC1 1286826204 ZXBVIGWSHFIZLV-UHFFFAOYSA-N 496.479 2.176 30 10 JEEE CCN(CCS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1Cc1ccc(F)cn1 1295888014 AYLKOURRYJNFHM-UHFFFAOYSA-N 458.519 2.182 30 10 JEEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC1(O)CCN(C(C)C)CC1 1300317178 LPSOHJNQDHQZKW-DEOSSOPVSA-N 493.700 2.336 30 10 JEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](OCc2cccc(OC)c2)C1 1300409340 HTGSBLFFQLNEKP-FPOVZHCZSA-N 458.584 2.398 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1CCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1300485834 ZJHOPHSKWICBSW-PKOBYXMFSA-N 486.573 2.389 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCCN(C)CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1300489202 KBABBKUOUGWUIN-LJQANCHMSA-N 494.543 2.328 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1Cc1cnccc1OC)[C@@H]1CCS(=O)(=O)C1 1300490106 ZNIQVMJBVVJGGQ-GOSISDBHSA-N 497.577 2.041 30 10 JEEE C#CCN(c1nnc(C2CCC2)n1C[C@@H](C)CNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1300490991 DEBSFFQAGIAOOL-WMZOPIPTSA-N 465.620 2.333 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@@H]1CCCS1)[C@H]1CCS(=O)(=O)C1 1300498922 OCICLBKHNPERTF-OALUTQOASA-N 460.625 2.400 30 10 JEEE C#CCN1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCCOCC(C)C)CC1 1300698405 RYUZOUMNMFMTEY-UHFFFAOYSA-N 463.586 2.010 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2cccnc2)CC1 1300730768 FGYOTXPEQVXRCV-UHFFFAOYSA-N 469.549 2.332 30 10 JEEE C=CC[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)N(C)C)CC1)c1ccccc1 1301165557 HZNBJSCPTDXVEA-NRFANRHFSA-N 462.602 2.249 30 10 JEEE C=CCN(c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC[C@H]1COCCO1)C1CC1 1301316816 NQJIJAOGVAXBAU-IBGZPJMESA-N 461.588 2.156 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C)[C@@H](O)C1)C(C)C 1301367069 KIFVLLDMRHZOOI-CGXNFDGLSA-N 465.664 2.086 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C 1301424827 OVGRZVPMXPTLKP-IPMKNSEASA-N 497.662 2.465 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(C2CCCC2)CC1 1301478839 PNGHYXRSPLGQAH-UHFFFAOYSA-N 486.020 2.228 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1301484353 FYDYSWOEBSGCAP-HXUWFJFHSA-N 475.347 2.041 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1301496949 KMXMQAPLBVCLDN-RUZDIDTESA-N 479.585 2.136 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1 1301500978 RZAXSPIZVFKRDN-IBGZPJMESA-N 472.977 2.438 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC2CCN(C(C)=O)CC2)C1 1301567122 UHPVSHNTZMALTO-IBGZPJMESA-N 472.615 2.309 30 10 JEEE C[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1)Oc1ccc(F)cc1 1303721748 HREQYMZHDIWJAF-SIFCLUCFSA-N 451.499 2.229 30 10 JEEE C#CCCCn1c(COc2ccc(OC)cc2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1358934727 LPUAYQXGCOXPHS-NRFANRHFSA-N 466.542 2.046 30 10 JEEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1C[C@]1(O)CCSC1)[C@@H]1CCS(=O)(=O)C1 1358957728 YZVBZLXFDQIYON-TXTKFYIRSA-N 474.652 2.315 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H](C)N(C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1358960260 AKEZACJWQCNHNS-CTNGQTDRSA-N 464.595 2.492 30 10 JEEE C#CCN(c1nnc(CC)n1CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1 1358964248 WIKCDJXZHMCXEK-ROUUACIJSA-N 465.620 2.114 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCN(CC)C(=O)OC(C)(C)C)CC1 1359045967 ZCCDBZGOWSOGDY-LJQANCHMSA-N 474.606 2.005 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](C)Oc2cccc(C)c2)CC1 1359047280 ZGFVLDSCGHMEHQ-FQEVSTJZSA-N 478.597 2.142 30 10 JEEE C=CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN2CCOC[C@@H]2C1 1359199132 LSDNUFRBZJNRKE-FQEVSTJZSA-N 474.631 2.073 30 10 JEEE C=CCCCCn1c([C@@H]2CCOC2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1359203212 KQYMBPBLHQVWSG-HXUWFJFHSA-N 458.607 2.079 30 10 JEEE C=CCCOCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1359224121 HCCILESHRPRLBC-SFHVURJKSA-N 473.965 2.353 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(OCC(F)(F)F)nc1 1359240414 NTFQOEJLMACEBS-OAHLLOKOSA-N 459.494 2.381 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCO[C@@H](C)C1)C(C)C 1359266343 YSYRTDUFNNCEFB-PCCBWWKXSA-N 465.664 2.494 30 10 JEEE C=CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1Cc1cccc(C(=O)NC)c1 1359280908 IUXBEWGAHSMCRR-UHFFFAOYSA-N 452.515 2.053 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1359296059 VTBFAGXPQKBVMF-RBUKOAKNSA-N 482.585 2.100 30 10 JEEE C#CC[C@]1(C(=O)NC[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)CCCN1C(=O)OC(C)(C)C 1456348306 VJVYDIMUBNFQQK-DHIUTWEWSA-N 451.564 2.268 30 10 JEEE C[C@@H]1CN(C(C)(C)Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@H](S(C)(=O)=O)C2)C[C@@H](C)O1 1494093642 BYWSADRHPPXNTK-OPYAIIAOSA-N 486.642 2.328 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@H]2CC2(C)C)CC1 1507734609 QMHHAXHJIAQBON-HXUWFJFHSA-N 498.653 2.207 30 10 JEEE C#CCSCCn1c(CC2CC2)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1507755054 KGCSGIISLVNVKX-WOJBJXKFSA-N 458.676 2.224 30 10 JEEE C=C(Br)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1507789837 NCWMQDBEGXMPEO-VXGBXAGGSA-N 468.333 2.292 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1507808001 XLANZZLJVVKWHV-VWPQPMDRSA-N 474.631 2.011 30 10 JEEE C=C(Cl)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1507870081 CUFBWNXRLAZARD-HNNXBMFYSA-N 483.989 2.399 30 10 JEEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(Br)ccc1OC 1507967842 LMYKUSJYVNDVLO-GFCCVEGCSA-N 458.382 2.330 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c(-c2cnccn2)nnc1N1CCN(C(=O)OC)CC1)C(C)C 1508012403 DPIIDSUEICDGST-HXUWFJFHSA-N 454.579 2.322 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@@]2(O)CCO[C@@H]2C)C1 1508118638 SNPROXKECCLUMQ-OSWMTFESSA-N 474.558 2.292 30 10 JEEE COc1ccc(CCc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@H]2CCCCS2(=O)=O)cc1 1518201698 AIUFPXSTTWJJFR-SIKLNZKXSA-N 461.563 2.481 30 10 JEEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCC(CC#N)CC3)n2CCc2cccs2)C1 1519562288 GKYOJMMMTSCLKG-GOSISDBHSA-N 464.617 2.045 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1Cc1ccccc1OCCN(C)C 1539005310 YVOZDMUTMWZNJA-QGZVFWFLSA-N 450.543 2.452 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@H]2CCO[C@H](C)C2)c1 1539038381 OFUKKRKYXJDMMK-MJGOQNOKSA-N 452.559 2.288 30 10 JEEE C#CCCCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1539124442 OYAIJASVUZRYRX-GOSISDBHSA-N 493.580 2.191 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@H](C)Oc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1539224182 CYOCSBLYFWDXMB-GHTZIAJQSA-N 483.569 2.497 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1(C(=O)NCC)CCC1 1539259838 IJEPYLPCADCUDI-UHFFFAOYSA-N 471.565 2.054 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CC(F)(F)CO1 1539325262 DXQPRBLQNLZJJN-ZWKOTPCHSA-N 479.528 2.474 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(CC(C)(C)C)n2C[C@H]2CCCCS2(=O)=O)n1 1539424938 YUNRRLJWLSYTHA-HXUWFJFHSA-N 476.647 2.317 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCc2cc(C(F)(F)F)ccn2)CC1 1539427369 CKFPXDYSZGLBJX-UHFFFAOYSA-N 484.486 2.337 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)CCC2CCCC2)CC1 1539518419 ZOWFHQVJAQDBRH-FQEVSTJZSA-N 493.699 2.166 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](OCC2CC2)C1 1539599509 GROROVSEUWPYEQ-HZPDHXFCSA-N 459.410 2.484 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(c2nccnc2C)CC1 1540863282 SOKKOVAZQJMGHD-SFHVURJKSA-N 480.548 2.284 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@]2(CCOC2)C1 1540863613 ZJXUULZLKSRUQU-KSFYIVLOSA-N 461.950 2.369 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCN2CCSCC2)C1 1540884710 UCCCKTLEFLWESM-DENIHFKCSA-N 451.637 2.149 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@]1(N(C)C)CCSC1 1541799544 HKYIFDGWUYQMFO-JTSKRJEESA-N 491.687 2.371 30 10 JEEE COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)C(C)(C)C)C[C@@H](C)O1 1555404788 IAWNUALCSZFWRW-YLJYHZDGSA-N 491.614 2.182 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)N2CC(C)(c3nnc(-c4cccnc4)o3)C2)ccc1F 1557582234 NYBLRIUJCLEQIM-UHFFFAOYSA-N 457.487 2.149 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CC1(O)CCS(=O)(=O)CC1 1587563145 YIVRUKCHBPSKAE-HKUYNNGSSA-N 460.600 2.433 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1CC1(C(=O)NCC)CCC1)[C@@H]1CCS(=O)(=O)C1 1588044732 BLOZRNICIYPEDY-LJQANCHMSA-N 469.611 2.187 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1C[C@](C)(O)[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1588045217 HIWZLZKDAARVIL-UQNRQAKVSA-N 474.583 2.098 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)N2C[C@@H](C)C[C@@H](C)C2)CC1 1588724345 XBXXRQGZGUEVHG-OYRHEFFESA-N 455.651 2.026 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2Cc2cccnc2OCC(F)F)CC1 1588913570 NFQWVXAJNHPNRQ-UHFFFAOYSA-N 481.507 2.393 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2CCCN2CCCO[C@H](C)C2)CC1 1588913694 PSLWBWYBCMICAC-OAQYLSRUSA-N 494.640 2.420 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@H](c2ccsc2)N(C)C)CC1 1588968333 IMNOUGOKPAXPIV-WOJBJXKFSA-N 456.616 2.460 30 10 JEEE C#CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)CCS(=O)(=O)CC 1589070438 SZVHGZBGTULXOY-SFHVURJKSA-N 450.586 2.028 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCN(c2nccc(OCC)n2)CC1 1589570756 WEOYJQWAHNADNA-NQIIRXRSSA-N 457.579 2.311 30 10 JEEE C=C(C)COCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CC(=O)N(C)C[C@@H]1C 1593735944 VDSUSRXTRVTBRT-SFHVURJKSA-N 479.585 2.325 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 1593746335 BKMKKHMMKJPZBA-GOSISDBHSA-N 491.614 2.073 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nc(C(F)(F)F)cs1 1595218724 MKRVXOILTLUQSZ-ZDUSSCGKSA-N 492.549 2.313 30 10 JEEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1595335633 XSLXNPDFAHEEOY-UHFFFAOYSA-N 460.604 2.076 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)NCC)CC1 1595778304 XREUECMNIZZKCR-UHFFFAOYSA-N 466.995 2.051 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCOC[C@H]1C 1595831404 PYCGNBALWPUUMB-SJORKVTESA-N 469.608 2.176 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)N2C[C@H](C(=O)OC)Oc3cc(F)ccc32)ccc1F 1611522000 VQGRRXDPSJHLJF-QGZVFWFLSA-N 452.435 2.010 30 10 JEEE C[C@H]1C[C@@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@@H]2O)[C@@H](C)C(=O)O[C@@H]([C@H](C)O)[C@@H](C)C=CC1=O 1615671691 UEIVQYHYALXCBD-DZPOFKKKSA-N 469.619 2.164 30 10 JEEE biogenic C[C@@H](CC(=O)NCc1ccc(OCC(F)(F)F)nc1)/N=C1/NS(=O)(=O)c2ccccc21 1624640503 DYTGFHVJKQYYEM-LBPRGKRZSA-N 456.446 2.156 30 10 JEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C 1630472290 ICDWRAOUDSABQQ-BMGDILEWSA-N 450.561 2.177 30 10 JEEE COc1cc(OC)cc(N2CCCN(C(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)CC2)c1 1636155843 HJWSYPIDOTXABK-UHFFFAOYSA-N 457.552 2.229 30 10 JEEE COC(=O)[C@H](c1cccc(C#N)c1)N1CCC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2=O)C1 1658326582 HFHCYDWQXOYVQQ-FPOVZHCZSA-N 456.543 2.316 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1(OCCOC)CCOCC1 1689848645 YXJVTNSSBRHTLZ-LJQANCHMSA-N 494.596 2.345 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1CCc1ccc(OC)cc1OC)[C@@H]1CCS(=O)(=O)C1 1689994266 VGLPLXZAKZTCLR-LJQANCHMSA-N 458.584 2.117 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCOC(F)F 1690019139 BNCWQHYZUTXUFY-MRXNPFEDSA-N 453.490 2.289 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2c(F)cccc2F)n1CCCN1C(=O)NC2(CCCC2)C1=O 1690020925 ASAXFNHGRRVMFQ-UHFFFAOYSA-N 480.519 2.475 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)n(C)c1=O 1690091532 WWSZTLJTNGOVBM-HXUWFJFHSA-N 483.569 2.015 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@H](C)N2CCN(CC)CC2)CC1 1690132712 XFLPORVQHAKEPQ-XMMPIXPASA-N 479.673 2.255 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@](C)(OC)C2CC2)CC1 1690152644 SPKOBJAFSYOWTG-DEOSSOPVSA-N 484.626 2.051 30 10 JEEE C#CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](OCCOC)C1 1690174374 BUPOOLJKYTWIIW-OALUTQOASA-N 495.646 2.195 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@](O)(c2ccc(F)cc2)C1 1690227518 AVKIUNXLPZVSKS-HNAYVOBHSA-N 450.312 2.375 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)CCC(F)F 1690723400 QFZDFYVKNACSKH-UHFFFAOYSA-N 452.487 2.286 30 10 JEEE C=CCS(=O)(=O)CCn1c(CSc2ccc(C)cc2)nnc1N1CCN(C(C)=O)CC1 1690730123 XGRLFKVYBZUFSR-UHFFFAOYSA-N 463.629 2.148 30 10 JEEE COCCN(CCC#N)c1nnc([C@@H]2COc3ccccc3O2)n1CCNC(=O)C(C)(C)C 1698060655 FDOFVWXWCQNKMV-IBGZPJMESA-N 456.547 2.319 30 10 JEEE C#CCCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1705511384 SOPHROZCZLVAGN-KRWDZBQOSA-N 462.572 2.398 30 10 JEEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)NCc2ccc(F)cc2)CC1 1705533946 VEEOQXRTZBTINS-FQEVSTJZSA-N 452.534 2.315 30 10 JEEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1705550276 WMIIRLMJGYWOFL-ROUUACIJSA-N 463.586 2.149 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2OC)n1C[C@H]1CCCS(=O)(=O)C1 1705593918 YNKHDVRXJMJKDJ-GOSISDBHSA-N 456.568 2.250 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccccc2F)n1C[C@]1(N2CCOCC2)CCSC1 1705624540 FGRIVIFHBMWHBK-HSZRJFAPSA-N 459.591 2.378 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1705700715 XNNVZMGGYGBWRD-GIWBLDEGSA-N 474.650 2.144 30 10 JEEE C=C(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1705720400 VOGJEVVUOBAVNF-UHFFFAOYSA-N 481.022 2.346 30 10 JEEE C=C(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](OC)C(C)(C)C1)c1ccccc1 1705743155 PEFACBZQVXNTDK-PMACEKPBSA-N 475.615 2.186 30 10 JEEE C=CCCOCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1705832122 NQGKZOFLGHIZTH-UHFFFAOYSA-N 487.630 2.200 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(Oc2ccccc2)nc1 1705843600 JNAXZMXWFVPFJX-FQEVSTJZSA-N 484.582 2.469 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 1705932083 KPUUCMYJJFWVOY-KRWDZBQOSA-N 475.644 2.224 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@@H](COC)C1 1705934413 LLVUMCKIYGBJIL-MRXNPFEDSA-N 472.571 2.058 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCC(CN2C[C@H](C)O[C@H](C)C2)CC1 1705935206 JZHRVLIQSZAQEZ-BGYRXZFFSA-N 467.680 2.403 30 10 JEEE CC(C)(C)S(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(c2ccccc2C#N)CC1 1706185881 DGKULCKAPAHRGL-IBGZPJMESA-N 499.641 2.031 30 10 JEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](O)(Cc2cccc(Cl)c2)C1 1722332796 OVGGAKYNRRPRCQ-PGRDOPGGSA-N 463.003 2.431 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(N2CCOC2=O)cc1 1722371340 VXSMQKXQXDMGGC-UHFFFAOYSA-N 455.478 2.003 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccccc2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1722424613 SPOKDTPHBLTJGP-LEWJYISDSA-N 457.600 2.235 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC2(C(=O)N(C)C)CCCC2)CC1 1722434491 SYKFOUVQSNMYCH-UHFFFAOYSA-N 480.613 2.366 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC(C(=O)NC)CC2)nnc1[C@]1(OC(C)C)CCOC1 1722498772 DSBWNLATVSAHJW-NMMYMHLASA-N 461.607 2.262 30 10 JEEE C=C(C)Cn1c(Cc2ccsc2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1722525388 FFYKAEKLZLTHRO-UHFFFAOYSA-N 456.616 2.447 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)N(C)Cc2ccccc2)CC1 1722566506 SQMPQYLFQRZOMN-IFMALSPDSA-N 488.658 2.288 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1722707451 PNKYGHZIHGDWHJ-PZJWPPBQSA-N 487.626 2.098 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2cccn(CC)c2=O)C1 1722710884 PQFYSJLFQVXJNS-HYBUGGRVSA-N 457.575 2.330 30 10 JEEE CC(F)(F)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1723894015 CRVRAGXFDXIANC-INIZCTEOSA-N 455.473 2.394 30 10 JEEE Cc1ccc(NC(=O)C2CCN(c3nnc(-c4cccc(C#N)c4)n3CC(=O)N(C)C)CC2)nc1 1724396744 AQNAMTFVYGHGEG-UHFFFAOYSA-N 472.553 2.464 30 10 JEEE CCS(=O)(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cc(C)on2)CC1 1729215978 AALNGCMMBPKOIO-UHFFFAOYSA-N 455.544 2.070 30 10 JEEE C#CCN(c1nnc([C@@H](C)CC)n1CC(F)(F)C1(OC)CCOCC1)[C@H]1CCS(=O)(=O)C1 1740617848 XYXKQIKJRUSWSH-IRXDYDNUSA-N 474.574 2.249 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1ccc(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1740624918 BSJBRQVJJMSBLG-UYAOXDASSA-N 474.583 2.212 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCCC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1740627761 SHGYZABMCVYCPB-WOJBJXKFSA-N 450.605 2.353 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](c1cccs1)N1CCOCC1 1740629110 AQMIESPHXYDYLS-LJQANCHMSA-N 475.578 2.133 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(OC)cc(OC)c2)n1Cc1ccc(-n2cncn2)nc1 1740631090 PONKNSHOZYAIAH-UHFFFAOYSA-N 454.494 2.059 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1([S@](C)=O)CCC1 1740668947 GETMFUZKUMTLLU-YTTGMZPUSA-N 452.584 2.436 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCCN2CCN(CC)CC2)CC1 1740692050 RIVUNGYPWGYJGV-UHFFFAOYSA-N 486.064 2.390 30 10 JEEE C#CCSCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCN(CC#C)CC1 1740715459 ANGSSEDKEXTFPV-UHFFFAOYSA-N 475.622 2.187 30 10 JEEE C=C(C)Cn1c(N2CCN(c3nccnc3C#N)C[C@@H]2C)nnc1[C@]1(OC(C)C)CCOC1 1740785892 IAIPONBGTJAOPU-MBSDFSHPSA-N 452.563 2.272 30 10 JEEE C=CCn1c(N2CCN(CC(=O)Nc3c(C)cccc3C)CC2)nnc1[C@@]1(OCC)CCOC1 1740949598 MFUNUAVINOATIP-RUZDIDTESA-N 468.602 2.494 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1740955921 IPXLTXPGKRLCDB-OAQYLSRUSA-N 479.629 2.079 30 10 JEEE CC(C)(C)OC(=O)N(CCn1c(Cc2ccccn2)nnc1N1CCO[C@@H](C#N)C1)C1CC1 1741210936 AJZPCGRKLJYIGC-IBGZPJMESA-N 453.547 2.392 30 10 JEEE C[C@@]1(C#N)CCCN(c2nnc(CCN3CCN(c4ccccc4)CC3)n2CCCS(C)(=O)=O)C1 1741987662 GQCNCZXNMDRYOL-VWLOTQADSA-N 499.685 2.208 30 10 JEEE CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1Cc1ccc(C[S@@](C)=O)cc1 1747185879 AZRNVXOQTWNXLB-UUWRZZSWSA-N 479.610 2.335 30 10 JEEE CNC(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCn2ccnc2C)C1 1748189066 DFWBMKPLHLSUJX-FQEVSTJZSA-N 462.558 2.286 30 10 JEEE COc1cc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCS(=O)(=O)N(C)C)ccc1OC(C)C 1748520535 CTEHTZGPSWLMDR-NRFANRHFSA-N 480.566 2.074 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OCC)CCOC3)n2CC2(O)CCCC2)c1 1748692339 VUMOYDHEBKMORW-RUZDIDTESA-N 467.570 2.292 30 10 JEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1748718850 UTFQEKWHZUQZDX-QZTJIDSGSA-N 465.620 2.429 30 10 JEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@](O)(c2ccccc2)C(F)(F)F)CC1 1748994451 IBCVPKGRGKKDBC-QHCPKHFHSA-N 487.530 2.345 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CC[C@H](C(F)F)N2CCOCC2)CC1 1749006562 SADRMUBIMMZMQE-LJQANCHMSA-N 490.555 2.168 30 10 JEEE C#CCSCCn1c(N2CCN(C3CCOCC3)C[C@@H]2C)nnc1[C@]1(OC(C)C)CCOC1 1749048826 BTHASEFOOFVYLC-RDPSFJRHSA-N 477.675 2.375 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1CN(C(=O)OC(C)(C)C)C1 1749575124 MFQCVZGUKBOBQF-KRWDZBQOSA-N 451.593 2.226 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N(C)[C@@H]1CCCN(c2ccccc2)C1 1749736023 YGCHANIHFTYSDK-TZIWHRDSSA-N 459.616 2.488 30 10 JEEE Cc1cccc(O[C@H](C)Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@@H](C)CC#N)c1 1751436542 HMDKMTPPROFBGZ-NSHGMRRFSA-N 476.603 2.125 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@H](C)N1CCN(CC)CC1 1760102114 FJQZTIZJGMPVIB-OALUTQOASA-N 470.618 2.455 30 10 JEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@H](C)c2cccc(OC)c2)CC1 1760155191 SQJKIUVHGRNPHT-CTNGQTDRSA-N 471.627 2.485 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@]1(O)CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1760183110 MMZVQMAYEHKDEQ-RGZWJVDOSA-N 488.610 2.140 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1CCCc1nnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1760189318 HLNLFSSTGWZVQF-GOSISDBHSA-N 488.614 2.427 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1Cc1occc1C)[C@H]1CCS(=O)(=O)C1 1760190912 WMBKHAQBIIFNCA-IBGZPJMESA-N 454.552 2.454 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnn(C)c2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1760240940 JATVARYDOXKEJZ-HSZRJFAPSA-N 492.603 2.400 30 10 JEEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCCNC(=O)C(C)C)CC1 1760261187 MCAGXSCUFBWPRP-UHFFFAOYSA-N 452.603 2.391 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@]2(O)CCO[C@H]2C)CC1 1760264180 DYGYFGNWXJVUKG-KSFYIVLOSA-N 480.396 2.459 30 10 JEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 1760272973 YPXWKNPEHQMPJV-UHFFFAOYSA-N 460.629 2.115 30 10 JEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)CC2CCCC2)CC1 1760281820 XVDHBPXGBHOPTK-LJQANCHMSA-N 458.632 2.215 30 10 JEEE C=C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCc2n[nH]c(C)n2)CC1 1760383870 BFQVWNHMKSWQKF-UHFFFAOYSA-N 456.576 2.021 30 10 JEEE C=CCCOCCn1c([C@H]2CCCO2)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1760452906 LEUPQCCJJIBEQS-HXUWFJFHSA-N 479.578 2.372 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1760519255 XNPYCWVWTRWWMQ-CYBMUJFWSA-N 494.419 2.112 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc3cccnc23)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1760553345 RZNFMIKPNRBAAY-SFHVURJKSA-N 489.623 2.108 30 10 JEEE CCC(CC)[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2cc(C#N)ccn2)CC1)N(C)C 1764048248 IEDKAWBVEBRRAA-OAQYLSRUSA-N 481.649 2.376 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1764127130 BMZHJFOIBKRQCD-OSPHWJPCSA-N 484.580 2.307 30 10 JEEE Cn1cccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1CCCS(=O)(=O)Cc1ccccc1 1767497016 ANUDIOBZGHXVKC-IBGZPJMESA-N 454.556 2.017 30 10 JEEE CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCCN1CCCCCC1=O 1767932051 HIFYGFYJVIXHGD-UHFFFAOYSA-N 466.590 2.201 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)COc2cccnc2NC(=O)NCCc2cnc[nH]2)nc1C 1858792981 ZDLABRGCHLQEKR-UHFFFAOYSA-N 485.526 2.294 30 10 JEEE C=CCNC(=O)[C@](C)(CC)NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccc3c(c1)OCO3)C2=O 1861507307 FWBGWJXKYBEKMH-VWLOTQADSA-N 463.490 2.412 30 10 JEEE C=CCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccn2)[C@H]1c1cc(OC)c(O)c(OC)c1 1864955431 NOYIDUMQQDUHBG-LJQANCHMSA-N 463.494 2.295 30 10 JEEE C=CCn1cc(OCCCN2C(=O)c3ccccc3C2=O)c(=O)cc1CN1CCC(O)CC1 1870375930 SAVFOSMXGHUVJV-UHFFFAOYSA-N 451.523 2.056 30 10 JEEE C=CCOc1cn(CCN2C(=O)CSC2=O)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870388181 LFJOLVPZZDGROF-UHFFFAOYSA-N 498.605 2.439 30 10 JEEE Cc1ccc(S(=O)(=O)N2CCC(OCC#CCN3CCN(C(C)C)CC3)CC2)cc1F 1889649710 KJJGQIQBYKANMX-UHFFFAOYSA-N 451.608 2.333 30 10 JEEE CCN1CCN(CC#CCOC2CCN(S(=O)(=O)c3cccc(Br)c3)CC2)CC1 1889691755 MUGLXKGFNDKPOU-UHFFFAOYSA-N 484.460 2.260 30 10 JEEE CN(CC1CCN(S(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)CC1)c1ncccc1C#N 1891568167 LETHPJKAMPLZAH-UHFFFAOYSA-N 467.551 2.144 30 10 JEEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@]1(C(=O)O)CCCN(C(=O)OC(C)(C)C)C1 2059911615 ZQCFZCONUWBFJE-OYHNWAKOSA-N 453.536 2.264 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CCC(N)=O)C(=O)N1CC[C@H]2C[C@]2(B2OC(C)(C)C(C)(C)O2)C1 2141247187 GCDURCWKFKOUBU-KIMHZCHSSA-N 451.373 2.230 30 10 JEEE Cc1cc(C(=O)N(C)C[C@@H](O)CNC(=O)OC(C)(C)C)sc1B1OC(C)(C)C(C)(C)O1 2255873935 PJZANSCPIRXQPK-AWEZNQCLSA-N 454.398 2.313 30 10 JEEE COCCN(C(=O)c1csnc1B1OC(C)(C)C(C)(C)O1)C1CN(C(=O)OC(C)(C)C)C1 2267148773 DKKVGJREDHXOGZ-UHFFFAOYSA-N 467.397 2.150 30 10 JEEE CC(C)(C)OC(=O)NCc1nnc(NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)o1 2267374375 QNEYPYCRMPSLRA-UHFFFAOYSA-N 486.381 2.256 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1S(=O)(=O)N1CC(CNC(=O)OC(C)(C)C)C1 2267708097 DPBZKALVEZITAZ-UHFFFAOYSA-N 466.409 2.439 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(C)CC2(O)CN(C(=O)OC(C)(C)C)C2)s1 2271683891 ATFSXVSVDVTAAJ-UHFFFAOYSA-N 466.409 2.410 30 10 JEEE CC(C)(C)OC(=O)N1CC([C@H]2CCN(C(=O)c3ncncc3B3OC(C)(C)C(C)(C)O3)C2)C1 2282170928 DCFTULPSHNMVJJ-HNNXBMFYSA-N 458.368 2.105 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1[C@H]2C[C@H]2CN1C(=O)OC(C)(C)C 2282610598 YWQSYSYQLNBTHA-YQQAZPJKSA-N 460.384 2.187 30 10 JEEE C[C@H]1CN(Cc2ccccc2)C[C@@H]1CCNC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2282620188 BRQSTGLESBETLT-HKUYNNGSSA-N 453.396 2.002 30 10 JEEE CC(C)(C)OC(=O)N1CC2(CC(CNC(=O)c3ncc(B4OC(C)(C)C(C)(C)O4)cn3)C2)C1 2282627691 JKFXYGKKUWBBLR-UHFFFAOYSA-N 458.368 2.153 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CNS(=O)(=O)c3ccccc3B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2282844637 GVUYHYWDMWMIPF-BJWYYQGGSA-N 478.420 2.377 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CC[C@H](CNS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282864811 LCSSGHOTMIEOEW-RDJZCZTQSA-N 481.424 2.353 30 10 JEEE CN(Cc1nc(NS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)n[nH]1)C(=O)OC(C)(C)C 2282876729 HXPKZLKRAOMKPB-UHFFFAOYSA-N 499.424 2.333 30 10 JEEE CC(C)(C)OC(=O)N1CC(CO)(C(=O)N2CCc3cc(B4OC(C)(C)C(C)(C)O4)ccc32)C1 2283961194 FFXOVOOKYOMINH-UHFFFAOYSA-N 458.364 2.104 30 10 JEEE CO[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2284040375 LBGHGSZOURZIEB-GJZGRUSLSA-N 481.424 2.331 30 10 JEEE C[C@H](c1nscc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 2284044973 HOWQNIHPXGDJMT-JLCFBVMHSA-N 481.424 2.334 30 10 JEEE CC(C)(C)OC(=O)N1CC(O)([C@@H](F)C(=O)Nc2nc(B3OC(C)(C)C(C)(C)O3)ccc2Cl)C1 2284063864 USVBAUCPJSLSHK-AWEZNQCLSA-N 485.749 2.293 30 10 JEEE CC(C)(C)OC(=O)N1CC(N2CCN(c3ncc(B4OC(C)(C)C(C)(C)O4)cc3F)CC2)C1 2284358437 HGGXMLVQJKODCV-UHFFFAOYSA-N 462.375 2.261 30 10 JEEE COCCNC(=O)N1CCC([C@H]2CN(c3ccc(C#N)c(C(F)(F)F)c3)C[C@H]2C(N)=O)CC1 2297650979 XASQFBGRANPFLY-QZTJIDSGSA-N 467.492 2.183 30 10 JEEE NC(=O)CSc1nnc([C@@H]2CC(=O)N(Cc3ccccc3)C2)n1N=Cc1cccc([N+](=O)[O-])c1 2325917498 ABQBGIOUVHVAOO-QGZVFWFLSA-N 479.522 2.162 30 10 JEEE COc1ccc(C=Nn2c(CNC(C)=O)nnc2SCc2nc(O)c3ccccc3n2)cc1O 2330778070 UIQWHZIQOITOIW-UHFFFAOYSA-N 479.522 2.452 30 10 JEEE CC#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 2337795801 NKCRKSJIWPUKDH-DOADOZAASA-N 465.591 2.227 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2C(NC(=O)c3cc(F)c(B4OC(C)(C)C(C)(C)O4)cc3O)[C@@H]2C1 2364957470 BLZVNDDSVNMPBL-ZIAGYGMSSA-N 462.327 2.426 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)[C@@H]2CCC[C@H]21 2367687284 QDWNVFATYRZHNF-HZPDHXFCSA-N 458.368 2.390 30 10 JEEE Nn1c(NN=C(Cc2ccccc2)Cc2ccccc2)nnc1SCC(=O)Nc1nnc[nH]1 20918939 HMFVXCJQCPKKLA-UHFFFAOYSA-N 462.543 2.094 30 10 JEEE CC(C)(O)[C@@H]1CC(=O)[C@]2(C)[C@H](CC[C@]3(C)[C@H](c4ccoc4)OC(=O)[C@@H]4O[C@@]432)[C@]12COC(=O)C[C@@H]2O 257427068 GNNAZOFNKOMONV-LNGUZURXSA-N 488.533 2.092 30 10 JEEE C=CCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2ccc(NC(C)=O)cc2)c1=O 514520900 VVQXQLPNCIOMRU-UHFFFAOYSA-N 459.527 2.449 30 10 JEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCN(C(=O)CC(C)(C)C)CC3)nnc12 642049626 LHBMZNMNSKTJLG-UHFFFAOYSA-N 482.610 2.429 30 10 JEEE C=CCn1c(-c2cccnc2)nn(CN2CCN(c3ccccc3S(=O)(=O)NC)CC2)c1=S 727825710 WCMMLCBCQVLPJA-UHFFFAOYSA-N 485.639 2.350 30 10 JEEE CC(C)n1cc(C=NNc2nnc(SCC(=O)NCCc3ccccc3Cl)n2N)cn1 1084255962 LQNYODODPANXKN-UHFFFAOYSA-N 461.983 2.320 30 10 JEEE C=CCn1cc(C=NNc2nnc(SCC(=O)Nc3cc(Cl)ccc3OC)n2N)cn1 1084288630 OFBRJDAYLNCIAA-UHFFFAOYSA-N 461.939 2.213 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2ccnc(OC3CCOCC3)c2)s1 1146434527 AEYXTNFJKPCAQE-UHFFFAOYSA-N 451.570 2.024 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CN(Cc2ccccc2)CCO1 1286276688 YJUNVXWEFQCQKC-PZJWPPBQSA-N 459.554 2.284 30 10 JEEE C#CCCCCn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1286323093 FQZNZPIFZNGDFC-MZYLBHOOSA-N 456.635 2.355 30 10 JEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CN(CC(C)C)CCO1 1286375946 AWSWSMMVJDEZCA-VQTJNVASSA-N 476.622 2.013 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1nnc(C(C)(C)C)s1)[C@H]1CCS(=O)(=O)C1 1286387704 UNGCIAPZUZCGSX-INIZCTEOSA-N 471.612 2.164 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1CCN(C)[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1286388360 NXNGHKOCJRXKRS-HKUYNNGSSA-N 473.599 2.031 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1286439617 TXSVWGUYESFGHD-UNMCSNQZSA-N 466.611 2.316 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1cnn(CC)c1 1286470121 QECILUZMPUVWBN-KDURUIRLSA-N 457.579 2.400 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CC[C@@H](C)N(C)Cc2ccccc2)CC1 1286471855 SBHFBEOHGIGATG-JOCHJYFZSA-N 463.630 2.180 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2CC2CCN(C(=O)OC)CC2)CC1 1286476344 UNISLPRARJXYQJ-UHFFFAOYSA-N 452.559 2.187 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CCc2ccc(NC(C)=O)cc2)CC1 1286491377 PDWDRVPNEOPLJB-UHFFFAOYSA-N 485.592 2.431 30 10 JEEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1286537065 WBNGWCJVPWHYFP-GXTWGEPZSA-N 457.329 2.180 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1286564176 MIVLRUDATZZMDV-UWJYYQICSA-N 494.687 2.475 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC(N2CCCC2=O)CC1 1286780067 PSTPOPNMMTUBJU-UHFFFAOYSA-N 474.512 2.440 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCCN(Cc2ccc(F)cc2)CC1 1286789171 PYOZZKOIVGYEOQ-UHFFFAOYSA-N 463.561 2.418 30 10 JEEE CC(C)(Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1)c1cccs1 1287093052 FOQDCDVBPHAVMN-QRWLVFNGSA-N 482.607 2.092 30 10 JEEE Cn1ncc(CCCn2c(-c3ccc(C#N)cc3)nnc2N2CCN(C(=O)NC(C)(C)C)CC2)n1 1298902652 GUIQHJJCRYETBC-UHFFFAOYSA-N 476.589 2.208 30 10 JEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN([C@H](C)c2cccc(OC)c2)CC1 1300383859 ILFOHIIVSZXPRK-RTBURBONSA-N 474.631 2.194 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1CCN1CCCC[C@@H]1CC)[C@H]1CCS(=O)(=O)C1 1300487937 NOAXUQKJYNBJOT-PMACEKPBSA-N 458.632 2.175 30 10 JEEE C#CCN(c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1300492842 OYKNBXHCMOZNJB-FDDCHVKYSA-N 469.567 2.388 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ccc(OCCC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1300493491 VKGIFLOVGPBMPF-LJQANCHMSA-N 496.593 2.208 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1Cc1nc(C)cs1)[C@@H]1CCS(=O)(=O)C1 1300505159 YKWBWIKTCRKJHG-GOSISDBHSA-N 482.591 2.169 30 10 JEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCN1CCCCC1 1300528507 XEDGPLUDTKYOHP-UHFFFAOYSA-N 453.616 2.187 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN(C(=O)OC(C)(C)C)C1CC1 1300577824 CJLJDLRKFSQGJI-GOSISDBHSA-N 475.615 2.043 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2cnc(C)s2)CC1 1300718396 MNIBWJBCVWPRHV-UHFFFAOYSA-N 498.634 2.128 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Cl)n2C[C@]2(O)CCO[C@@H]2C)CC1 1300719273 UPJYXWMPDLHVEO-WAIKUNEKSA-N 457.962 2.104 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H]2CCCCN2CCCC)CC1 1300724942 DJTVXKQIOLZOPH-FGZHOGPDSA-N 456.635 2.402 30 10 JEEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1300770795 ZGTSXXIBPQJBFY-MRXNPFEDSA-N 460.629 2.131 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)cc2OC)n1C[C@H]1CCCN1S(C)(=O)=O 1300798670 QIIQJBDMVDGVPV-UZUQRXQVSA-N 473.599 2.378 30 10 JEEE C=C(Br)Cn1c(N2CCO[C@@H](Cn3cccn3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1300862745 DGGCVJWFLJZOCS-YLJYHZDGSA-N 481.395 2.329 30 10 JEEE C=CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1301196732 IMIQXAKVCLPIOB-SFHVURJKSA-N 497.991 2.360 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1301509442 HIHVWCUNFMULLV-FQEVSTJZSA-N 466.586 2.367 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1301579778 XYMBMSPBEYEIIV-UHFFFAOYSA-N 477.594 2.135 30 10 JEEE Cc1nn(C)c(N2CCN(c3nnc(Cc4ccccc4F)n3CCC(=O)NC(C)C)CC2)c1C#N 1304730279 BSKCMCUOBVNWPZ-UHFFFAOYSA-N 493.591 2.163 30 10 JEEE C#CCN(Cc1ccc(F)cc1)[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 1307444845 KYLVNOLEDNAXCK-FQEVSTJZSA-N 457.571 2.491 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@]1(O)CCO[C@H]1C 1358974004 NHIVFQDHITXAHT-YCRPNKLZSA-N 459.344 2.329 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCCN1CCC[C@H]1CO 1358989661 KYUHFDSCHLMONQ-QFIPXVFZSA-N 463.582 2.416 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(OC[C@H]2CCOC2)CC1 1359048175 HWUDTYZSNNLTQY-SFHVURJKSA-N 470.599 2.314 30 10 JEEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)c2ccc(C)cc2)CC1 1359228834 PQVVZKCHFZAJPK-UHFFFAOYSA-N 466.586 2.264 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCS(=O)(=O)C(C)(C)C)C1 1359314774 HPNMRNQGAZIUGV-GOSISDBHSA-N 496.655 2.343 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCC(=O)N[C@H](C)CC)C1 1359318336 BTGCUNYVAVVRFC-MSOLQXFVSA-N 479.585 2.278 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N(C)C[C@H](C)C#N 1359328007 QPATXZJRZYPFLD-CYBMUJFWSA-N 455.382 2.243 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(c2cc(C)nc(C(C)C)n2)CC1 1359330973 IRZPWJZSABCPKS-UHFFFAOYSA-N 484.630 2.422 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C 1359473681 GHDJTKJHNYAZAX-ZACQAIPSSA-N 466.608 2.176 30 10 JEEE CCOC(=O)C[C@@H](c1ccccc1)C1CCN(C(=O)CCn2cc(C#N)c(O)nc2=O)CC1 1441608876 BXMSCCNYRVTKKV-FQEVSTJZSA-N 452.511 2.186 30 10 JEEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N[C@H](CO)CN(C)C)c1 1449061601 LHHLUGNFPWJBLH-SFHVURJKSA-N 451.976 2.374 30 10 JEEE CS(=O)(=O)CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCC[C@H](O)C1)C1CC1 1505133012 BIGLOTHPMPJPBN-ICSRJNTNSA-N 473.599 2.293 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2CC2(C(N)=O)CCCC2)c1 1507549068 DXLJEOCDSNJPOI-UHFFFAOYSA-N 457.538 2.442 30 10 JEEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1507559035 WUURTYVKWUQGQN-NTKDMRAZSA-N 487.626 2.383 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1CCN1CCCCCC1)[C@H]1CCS(=O)(=O)C1 1507636036 XMUXBOQDKHNDGE-FQEVSTJZSA-N 461.657 2.433 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1cccn(CC)c1=O 1507659525 YNNOMRCWZYGFJT-BGYRXZFFSA-N 464.570 2.352 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(C(C)(C)O)cc2)CC1 1507725832 BGLMPZCIXDQDSO-UHFFFAOYSA-N 478.622 2.301 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1CCS(=O)(=O)NC 1507763839 GSOPMQABYJQTGH-VGOFRKELSA-N 461.588 2.358 30 10 JEEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN([C@H](C)c2cccc(OC)c2)CC1 1507823809 IBRUPWPHEXSVCZ-ZWKOTPCHSA-N 462.620 2.356 30 10 JEEE C=CCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1507958497 DRQIVKKPSZOWMC-UHFFFAOYSA-N 472.553 2.230 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CC1CC(F)(F)C1 1508136555 SUQQVUUBQNXNJW-UHFFFAOYSA-N 488.582 2.431 30 10 JEEE CCOC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1516084560 APMDXFJWGXMHNN-HXUWFJFHSA-N 452.559 2.459 30 10 JEEE CCO[C@@H]1C[C@H](N(C)c2nnc(-c3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)C1(C)C 1516376254 FWQKLRDONLBIKZ-VQTJNVASSA-N 472.615 2.492 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1539002892 YINXACWSVIWPEH-JEBJBBSMSA-N 456.510 2.115 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cn3nc(C)cc3C)n2CCn2ccnc2C)c1 1539045565 FHIZCQKWLIJMSH-UHFFFAOYSA-N 471.569 2.401 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1Cc1cc(F)cc(OC)c1)[C@H]1CCS(=O)(=O)C1 1539203464 QEOXQIMLZRLGOE-IBGZPJMESA-N 491.589 2.019 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1CCCCOC)[C@H]1CCS(=O)(=O)C1 1539205701 JIIYPUWESRVKRW-INIZCTEOSA-N 484.420 2.099 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1Cc1ccc(OC)nc1)[C@H]1CCS(=O)(=O)C1 1539218697 CEJSOHOIQZIBHD-IBGZPJMESA-N 469.542 2.087 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1Cc1cccc(C(=O)N(C)C)c1)[C@H]1CCS(=O)(=O)C1 1539226503 ZJDNANJBBWZMDN-NRFANRHFSA-N 497.646 2.307 30 10 JEEE C#CCN(CC)c1nnc(-c2cnn(C)c2)n1C[C@@H]1C[C@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1539363922 YCIYSFMTOJTNSL-WDSOQIARSA-N 455.563 2.163 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccc(C(C)(C)O)cc2)CC1 1539432171 YTVJFNSHALULLY-AREMUKBSSA-N 467.614 2.350 30 10 JEEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2CCNC(=O)[C@@H](C)CCC)CC1 1539452629 WHIZQGWNRFMUCA-SFHVURJKSA-N 458.557 2.455 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCCCN2CCC(C)CC2)CC1 1539462175 CYHOYWVFQMXUIF-GOTSBHOMSA-N 458.651 2.269 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCCS(C)(=O)=O)CC1 1539474346 PFSULASXCMIZMF-UHFFFAOYSA-N 494.017 2.008 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1c(C)nn(C)c1C 1539915710 CVWSDLRLNSEARF-IBGZPJMESA-N 479.651 2.200 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)CCS(=O)(=O)CC 1540865167 XAAVIFDMUZTXFY-OAHLLOKOSA-N 465.645 2.305 30 10 JEEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCCN(Cc2ccc(OC)cc2)C(=O)C1 1540871951 YIWNQIKUDLYVAA-UHFFFAOYSA-N 454.575 2.026 30 10 JEEE CC(C)NC(=O)c1nnc(N(C)[C@H](C)CC#N)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 1541634244 DCKJRUMMJTUURQ-CTNGQTDRSA-N 453.591 2.446 30 10 JEEE C[C@H]1CCCCN1C[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCNS(C)(=O)=O)C1 1544008348 CBXDEVWYKQTHBE-FPOVZHCZSA-N 485.658 2.457 30 10 JEEE N#C[C@@]1(F)CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCS(=O)(=O)CC2CC2)C1 1555983705 ABOMEVMRAQMTDJ-KRWDZBQOSA-N 471.356 2.302 30 10 JEEE C#CCCCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1587777431 FLLFPQHYJAOBRF-LJQANCHMSA-N 462.645 2.442 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1Cc1ccc(C(=O)NCC)cc1 1588149548 WNMPRDUKHPWVEC-UHFFFAOYSA-N 451.534 2.387 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCS(=O)(=O)CC 1588379155 ZTGKBRHMDSCRTO-QGZVFWFLSA-N 453.609 2.287 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Br)cc3)n2CCNC(=O)C2CC2)CC1 1588898958 IZGZXLGZBUSFPL-UHFFFAOYSA-N 499.413 2.200 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@](C)(O)c2ccc(F)cc2)CC1 1588968306 HVXGGKVHPGMQGB-YKSBVNFPSA-N 455.534 2.142 30 10 JEEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 1589109613 HIBBEXVSZHWCQO-UHFFFAOYSA-N 481.601 2.494 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(Cc2c(F)cccc2F)n1CCN1CCN(C(C)=O)CC1 1589223520 NRZSLXWKFULQCQ-XMMPIXPASA-N 456.541 2.303 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1CCCCC1 1589545623 OGQPZKFCKNPHIU-IHPCNDPISA-N 467.636 2.361 30 10 JEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](c2ccc(F)c(F)c2)C1 1595569341 FNAJPPHFMWKSRT-FQEVSTJZSA-N 471.512 2.298 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](CN2CCCC[C@@H]2C)C1 1595752689 DDCNHQAATWTKKV-SFTDATJTSA-N 492.690 2.206 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1595812292 QQCCGRSDQRQLJA-GCKMJXCFSA-N 481.644 2.007 30 10 JEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](O)(c2ccc(F)cc2)C1 1595884269 IYZZHSDKNFVCJQ-IIBYNOLFSA-N 466.604 2.336 30 10 JEEE C=CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1595901077 OQDQDCYXQSEOQH-UHFFFAOYSA-N 468.583 2.441 30 10 JEEE CC(C)(C)C(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1596964331 CVEPLMKRTPVFBR-QFIPXVFZSA-N 495.628 2.192 30 10 JEEE CC(C)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1606973923 CZBVBATUNJBUJE-MRXNPFEDSA-N 463.583 2.272 30 10 JEEE CCCn1nc(-c2nnc(N(C)C[C@@H](C)C#N)n2CCCN2CCOCC2)c2ccccc2c1=O 1614894749 AGKDZIIZFKSBIE-IBGZPJMESA-N 478.601 2.383 30 10 JEEE CCn1nc(-c2nnc(N3CCC(CC#N)CC3)n2CCN(C)CCOC)c2ccccc2c1=O 1615897923 GJRDFPLXCMAJHT-UHFFFAOYSA-N 478.601 2.383 30 10 JEEE COc1ncccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(C#N)cc1 1619474946 DIZRRKZXKXYCBL-LJQANCHMSA-N 452.540 2.140 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2cccnc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1619899646 DLMUZYOJIXTCNX-OAQYLSRUSA-N 495.609 2.146 30 10 JEEE COc1cc(NC(=O)N(C[C@H](O)COc2ccc(CC(N)=O)cc2)C(C)C)c(F)cc1C#N 1679427828 BCNGWMYEKGHVBH-KRWDZBQOSA-N 458.490 2.416 30 10 JEEE C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)OCC)cc2)CC1)c1ccccc1 1683508128 MTLCHBDYTIGZGI-OAQYLSRUSA-N 455.536 2.254 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(C)n(C)c1=O 1689853887 ZWVICUPRYIOSRM-APWZRJJASA-N 470.574 2.100 30 10 JEEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 1689982347 KZJZPVKGKDLILK-PGRDOPGGSA-N 479.002 2.259 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1CCc1ccc(NC(C)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1689986545 SDNAMPMHGJXFDY-OAQYLSRUSA-N 480.594 2.111 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1CCOCC(F)F)[C@@H]1CCS(=O)(=O)C1 1689992883 QPCVJDCYRPNVPF-GOSISDBHSA-N 452.527 2.086 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1nnc2n1CCC2 1690017928 OVUYGUOPXOYXOF-GOSISDBHSA-N 464.574 2.051 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCCOC(F)(F)F)CC1 1690119579 KQZHPQWPGZGDJL-UHFFFAOYSA-N 451.449 2.398 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@]1(O)CCN(C)C1 1690262862 REFSPWQGGSITAT-XMMPIXPASA-N 451.575 2.144 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(C(=O)NC)CC1 1690311256 GLIIFTWMEIZYRJ-LJQANCHMSA-N 491.637 2.447 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 1690666600 AIEGHELLFJEJGE-LJQANCHMSA-N 463.586 2.498 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](Cc2ccc(F)cc2)C1 1690714156 GMCOXIMUNOZDMT-IBGZPJMESA-N 475.590 2.323 30 10 JEEE CO[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1)C(C)C 1697152587 GGDLYDVQSFGGSS-GCJKJVERSA-N 465.602 2.277 30 10 JEEE COC[C@H]1CCCCN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(=O)(=O)Cc2ccon2)C1 1697839203 FJFQHQNWZWDGOI-IBGZPJMESA-N 499.597 2.177 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCc1ccc(F)c(F)c1)[C@H]1CCS(=O)(=O)C1 1705571684 FWTMFQYXGKUWCE-QFBILLFUSA-N 450.511 2.277 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1CCN1CCc2sccc2C1 1705622102 XXIDQJUQVJLKRH-UHFFFAOYSA-N 465.583 2.131 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2cccc(NC(=O)OC)c2)CC1 1705634915 MDFJPWJEVGDSGG-VWLOTQADSA-N 482.585 2.301 30 10 JEEE C#CCN1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCC(=O)NC(C)C)CC1 1705638950 CBPYFUZRTUXCTJ-UHFFFAOYSA-N 487.649 2.063 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CC[C@H](N2CCOCC2)C(F)(F)F)CC1 1705648687 WJHBGBXODNJNCH-IBGZPJMESA-N 498.594 2.486 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ncccc2C)CC1 1705651342 SWFSJMYVIYCQPB-UHFFFAOYSA-N 469.549 2.446 30 10 JEEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1705689829 AHWUHETUOAXLRP-UHFFFAOYSA-N 487.358 2.042 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1705701083 CFAULDAHOKWKHV-NQIIRXRSSA-N 492.646 2.488 30 10 JEEE C=C(C)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 1705723754 RPNDYALROQRGDH-LJQANCHMSA-N 491.614 2.169 30 10 JEEE C=C(C)COCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@@](C)(C(=O)NC)C1 1705736670 ZGVQGBXHNMBFLK-HSZRJFAPSA-N 451.531 2.149 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1705792699 YOEWSFDZEBGVTG-AQNXPRMDSA-N 465.664 2.330 30 10 JEEE C=CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC(NS(C)(=O)=O)CC1 1705818834 WNHFXYWSYVRETQ-UHFFFAOYSA-N 485.614 2.159 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCOC[C@@H]1C 1705861273 AFXNXRMQVAKFQJ-NNWRFLSQSA-N 489.642 2.476 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)CN1CCOCC1 1705864790 MVYZRRFFSBWEBA-TZIWHRDSSA-N 491.633 2.480 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCC[C@](C)(OC)CC2)nnc1[C@]1(OC(C)C)CCOC1 1705938869 LIRQSTSPYFKFPY-VXKWHMMOSA-N 470.636 2.315 30 10 JEEE CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCNC(=O)OC(C)(C)C)CC1 1705989954 HGOYTDXPRADKPB-UHFFFAOYSA-N 453.547 2.400 30 10 JEEE CC[C@@H](C)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1)OC 1708364725 DENNZOSKHVFHFE-WIYYLYMNSA-N 453.591 2.088 30 10 JEEE CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)C(=O)NC)CCN1CCOC 1709335180 HKZDUMLBNAXJFC-HXUWFJFHSA-N 453.591 2.136 30 10 JEEE CN(C)C(=O)C1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2cccc(C#N)c2)CCCC1 1710971433 FLNPQFJWLBDQFH-FQEVSTJZSA-N 484.626 2.337 30 10 JEEE COCC(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCO[C@H](C)C2)CC1 1712113673 CJAVZCGIHCEUKJ-QUCCMNQESA-N 482.585 2.275 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2Cc2cc(C)nn2C)c1 1722307585 PXDZVNBOHFTMQC-UHFFFAOYSA-N 454.538 2.410 30 10 JEEE C#CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(=O)NCc1ccco1 1722352451 QXMXTDOUDJJAQY-KRWDZBQOSA-N 456.547 2.371 30 10 JEEE C#CCN(c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCC(=O)NC)[C@H]1CCS(=O)(=O)C1 1722363308 FINRHYIVTQSFKW-NRFANRHFSA-N 494.621 2.115 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1CCc1ccc(NC(C)=O)cc1)[C@H]1CCS(=O)(=O)C1 1722368704 VBKGYTVFBIFVJX-NRFANRHFSA-N 457.600 2.304 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCCN2CCOC2=O)CC1 1722434248 MTUBVVRZNCSJJZ-UHFFFAOYSA-N 458.950 2.205 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCN2CCN(C)C(C)(C)C2)CC1 1722439010 KKXSXYVIEKBHMG-UHFFFAOYSA-N 470.065 2.304 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2CC(C)(C)N2CCOCC2)CC1 1722450938 UBCQIIRBEZLJTP-UHFFFAOYSA-N 498.603 2.073 30 10 JEEE C#CCSCCn1c(CC(C)(C)C)nnc1N1CCN(c2nccn3cnnc23)[C@H](C)C1 1722462155 SHAUFRLDOYNYST-QGZVFWFLSA-N 453.620 2.386 30 10 JEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1722536648 YCCSNQMSJNHXKG-OAQYLSRUSA-N 450.543 2.443 30 10 JEEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1722638346 XGPKBUGLQKULED-KRWDZBQOSA-N 485.589 2.344 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(c2nc(CC)ns2)CC1 1722728356 QJOGKLSAJWGLLV-UHFFFAOYSA-N 467.665 2.208 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1OCC(F)(F)F 1740532349 DSAIHFCKZPLQQN-ZIAGYGMSSA-N 459.494 2.336 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OC)cc1C(F)(F)F 1740533990 WCWVVUFJJUPTOL-OLZOCXBDSA-N 459.494 2.422 30 10 JEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](c2ccccc2)C1 1740573324 BBQXTNTUEMOGJT-NHCUHLMSSA-N 457.600 2.408 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1Cc1ccc(F)cn1)[C@H]1CCS(=O)(=O)C1 1740620140 OCYCSBANCNIFFL-IBGZPJMESA-N 455.515 2.163 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCO[C@@H]1CCCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1740624700 KZKLVIMDJFKCKF-STZQEDGTSA-N 488.658 2.362 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC1(C)C 1740679060 MSPWOEZMEJYVGA-ICSRJNTNSA-N 475.590 2.436 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CC(=O)N(C)C[C@@H]1C 1740988147 VBPNOIWLHGRSMS-CVEARBPZSA-N 477.656 2.399 30 10 JEEE C[C@H]1COCCN1CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@](F)(C#N)C1 1743361538 CQKPPVJLSGHYIU-UGSOOPFHSA-N 452.332 2.198 30 10 JEEE CCNC(=O)C(C)(C)Cn1c([C@H]2CCOC2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1746484936 BRNIPSGUNKOPAO-PMACEKPBSA-N 452.559 2.394 30 10 JEEE CCO[C@@]1(c2nnc(N(C)[C@@H](C)CC#N)n2CCn2cc(Br)cn2)CCOC1 1746645849 ALHVDPOWENAKKV-KSSFIOAISA-N 452.357 2.328 30 10 JEEE CN(C)CC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1747587478 DYRXXDPRSFKIKU-HXUWFJFHSA-N 480.617 2.357 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1Cc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1748802730 RWHZWVMMHRCQDX-HXUWFJFHSA-N 457.600 2.180 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@@H](C)SC)[C@H]1CCS(=O)(=O)C1 1748824194 KWYRHISNJSRENG-CVEARBPZSA-N 452.577 2.374 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CC2(O)CC(OCC)C2)CC1 1748984013 GCDWYTYNSPSFEW-UHFFFAOYSA-N 469.586 2.038 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2CC2(S(C)(=O)=O)CCCC2)CC1 1748999036 GEIXHFYAJBMGNW-UHFFFAOYSA-N 471.627 2.278 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H]2C[C@H]2C)CC1 1749001511 URDULJBQENRNEJ-VQIMIIECSA-N 468.989 2.483 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(NC(C)=O)cc2)CC1 1749016045 XLUJDJOUFSBTEH-UHFFFAOYSA-N 488.596 2.112 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCS(=O)(=O)C(C)(C)C 1749060486 RCLGCTHBEWUSFA-JOCHJYFZSA-N 468.587 2.126 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cnc(C(C)C)nc1 1749119544 UBVKFHCFHHVSRK-QRQLOZEOSA-N 477.635 2.419 30 10 JEEE C=C1CCN(c2nnc(COc3ccccc3OC)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1749311501 PXIQBFZSYRYALI-GOSISDBHSA-N 461.588 2.304 30 10 JEEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1749403037 VHDCLFJOKOHPFA-RBUKOAKNSA-N 451.637 2.226 30 10 JEEE C=CCCCn1c(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)nnc1[C@]1(OC(C)C)CCOC1 1749440000 OXLYWYHPCNRDEX-RDPSFJRHSA-N 460.623 2.028 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(c2ccnc(C)n2)CC1 1749651322 SGANKCSPBZMKMC-QGZVFWFLSA-N 480.548 2.284 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1749672475 VLOLFEDPIUQFLE-UHFFFAOYSA-N 465.602 2.207 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1749738805 YBLUNNOHHKUVKN-UHFFFAOYSA-N 469.615 2.205 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1Cc1nnc(C(C)(C)C)s1)[C@H]1CCS(=O)(=O)C1 1760187666 XRLCSDMVNDRZEZ-HNNXBMFYSA-N 450.634 2.301 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H](OC)c1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 1760189141 OAZRUKPJSVTXCU-ICSRJNTNSA-N 486.985 2.403 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCN1CCOC[C@@H]1C 1760207934 CLESECGUACDNKV-PMACEKPBSA-N 456.591 2.144 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(C)CCOCC1 1760244644 BWBAKXLSQTYSQZ-UHFFFAOYSA-N 475.615 2.098 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC[C@@H]1CCO[C@H](C)C1 1760246468 YNSOCKIOFKPQBR-RTBURBONSA-N 450.547 2.212 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2ccsc2)CC1 1760260800 BTMWLPQTYLECDQ-IBGZPJMESA-N 472.615 2.452 30 10 JEEE C#CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC2(CC1)CNC(=O)C2 1760272669 RIPPIAPEGDXHBU-UHFFFAOYSA-N 487.029 2.334 30 10 JEEE C#CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1760275589 BJFNOSCCGFAMIX-UHFFFAOYSA-N 468.627 2.065 30 10 JEEE C=C(C)COCCn1c(N2CC[C@](C)(N3CCOCC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1760361574 NJLUYTQRZQLAIJ-BJKOFHAPSA-N 463.623 2.212 30 10 JEEE C=CCCOCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCCO[C@@H](C)C1 1760448283 YMILZXFJAYWHBV-SFHVURJKSA-N 463.604 2.403 30 10 JEEE CCCC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCOCC2)C1 1765376042 BJINJTJFOSOPGK-FQEVSTJZSA-N 452.559 2.243 30 10 JEEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(C)CCOCC2)C1 1765671971 HYYZJPDSBZYSMN-IBGZPJMESA-N 458.588 2.151 30 10 JEEE CCN(CC)[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1766596809 HWIVHTPVVXMMKK-ICSRJNTNSA-N 466.590 2.015 30 10 JEEE CCn1nc(-c2nnc(N(C)[C@@H](C)CC#N)n2C[C@@H](C)N2CCOCC2)c2ccccc2c1=O 1767158835 ABZUIOVSBRZDSO-ZWKOTPCHSA-N 464.574 2.134 30 10 JEEE COCC1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1770806531 BGVKTOYOVYMFDQ-LJQANCHMSA-N 472.615 2.351 30 10 JEEE N#Cc1ccccc1S(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc3nc(O)[nH]c3c2)nc1 1858293026 AMDHIJRKHZXAMS-UHFFFAOYSA-N 470.492 2.137 30 10 JEEE C=CC1(NC(=O)C2(C(=O)OC)CCN(C(=O)OC(C)(C)C)CC2)CN(C(=O)OC(C)(C)C)C1 1885018542 RKUMJBLAGMLEOG-UHFFFAOYSA-N 467.563 2.468 30 10 JEEE C=C(Br)CS(=O)(=O)N[C@@H]1CCC[C@H]1N1CCN(C(=O)OC(C)(C)C)CC1 2118088359 TWLYHEYUNHZBAT-HUUCEWRRSA-N 452.415 2.288 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1C(=O)NCCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2180969755 YUDQUPJCHZDREI-RBUKOAKNSA-N 460.380 2.184 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@](CO)(NC(=O)c2csc(B3OC(C)(C)C(C)(C)O3)c2)C1 2255702179 BYTVVZCDAVTQLW-OAQYLSRUSA-N 452.382 2.149 30 10 JEEE CC1(C)OB(c2occc2C(=O)N[C@H]2CCOC[C@@H]2NC(=O)OCc2ccccc2)OC1(C)C 2255703438 SBHSMKWBKBTZFV-OALUTQOASA-N 470.331 2.393 30 10 JEEE C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc(B2OC(C)(C)C(C)(C)O2)ccc1Cl 2256617677 LJRLXJFKDSLHII-FZMZJTMJSA-N 455.748 2.247 30 10 JEEE CC(C)C[C@@H](CNC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2267014472 ZDQBXGHRUPLXLF-HNNXBMFYSA-N 450.389 2.389 30 10 JEEE CC1(C)OB(c2csnc2C(=O)N2C[C@H]3CC[C@H]2[C@@H](NC(=O)C(F)(F)F)C3)OC1(C)C 2267487099 QYZQEZFSZXMMJJ-DRZSPHRISA-N 459.299 2.114 30 10 JEEE Cc1sc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H](O)C2)cc1B1OC(C)(C)C(C)(C)O1 2267549544 MZBIRHVWXYAETD-OAHLLOKOSA-N 466.409 2.410 30 10 JEEE C[C@H](OCc1ccccc1)[C@H](NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2269039740 VZISKPHRSYIUGZ-KSSFIOAISA-N 481.401 2.384 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1CC(F)(F)CN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2278907431 PSCAJWWXFVNFCG-LBPRGKRZSA-N 456.299 2.083 30 10 JEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CCN(Cc3ccccc3)CC2(C)C)n1 2281953447 KQDGVWHYKUOOCD-SFHVURJKSA-N 453.396 2.145 30 10 JEEE Cc1c(C(=O)N[C@H]2C[C@H]3C[C@H]2CN3C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281989751 DKQNIGCAAYZHRP-XHSDSOJGSA-N 460.384 2.155 30 10 JEEE C[C@H]1CCN(C(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)[C@H](CNC(=O)OC(C)(C)C)C1 2282034982 OZICPJAFFBUYPH-HOTGVXAUSA-N 462.400 2.485 30 10 JEEE CCn1cc(C(=O)N2C[C@@H]3C[C@@H]3[C@@H]2CNC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2282035912 BHDOHBQYZOZZQQ-ZOBUZTSGSA-N 460.384 2.187 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H](CNC(=O)OC(C)(C)C)CC2(C)C)n1 2282048055 GYOZPBWJPLQUFN-OAHLLOKOSA-N 462.400 2.485 30 10 JEEE C[C@@H](NC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1)C1(O)CCN(C(=O)OC(C)(C)C)CC1 2282521972 DUYQZYUIRIIKLB-CQSZACIVSA-N 481.424 2.323 30 10 JEEE CCn1cc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2F)nc1B1OC(C)(C)C(C)(C)O1 2282539415 TVYWULBWBCIJPX-HUUCEWRRSA-N 466.363 2.280 30 10 JEEE CCc1nn(C)c(C(=O)N=[S@@](C)(=O)CCNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2282557819 AKORBHNEKFOTNZ-XIFFEERXSA-N 484.428 2.044 30 10 JEEE CC(C)[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2282586303 WZVSIYNZPAHPDC-KRWDZBQOSA-N 462.400 2.437 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](NS(=O)(=O)Cc3ncsc3B3OC(C)(C)C(C)(C)O3)C[C@H]2C1 2282831102 FDZQHPLWGZFBFT-ZNMIVQPWSA-N 499.464 2.117 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@](O)(CC(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)C1 2283976409 CRYHXEIYMUUVAI-QHCPKHFHSA-N 461.368 2.471 30 10 JEEE Cn1cc([C@H](NC(=O)OC(C)(C)C)C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)cn1 2283985820 AOAVJWYOAQSWOW-KRWDZBQOSA-N 457.340 2.319 30 10 JEEE CC(C)(C)OC(=O)N1[C@H](C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C[C@H]2OCC[C@@H]21 2284060237 LHZAUPJIHPIUSJ-SOUVJXGZSA-N 479.408 2.225 30 10 JEEE CN(Cc1ccccc1)C[C@@H](NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1O)C(=O)O 2284493884 GOQOWTXVFGHNEY-LJQANCHMSA-N 454.332 2.006 30 10 JEEE Cn1ncc(C(=O)N2CC(F)(F)C[C@@H]2CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2296421754 SVCXAISMNDAFKW-CYBMUJFWSA-N 470.326 2.094 30 10 JEEE Cc1c(C(O)=C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccnc2)cnn1-c1ccccc1 2297062051 IHZLDOXLZVOAPR-HSZRJFAPSA-N 473.533 2.330 30 10 JEEE CC(=O)NCc1nnc(SCC(=O)NCc2ccccc2)n1N=Cc1ccccc1[N+](=O)[O-] 2330794118 CORBNBFEBBTORR-UHFFFAOYSA-N 467.511 2.113 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)N1CCc2scc(B3OC(C)(C)C(C)(C)O3)c2C1 2336502545 YEUSGRJTQOTMBX-SUMWQHHRSA-N 466.409 2.206 30 10 JEEE COC[C@](CCCNC(=O)OC(C)(C)C)(C(=O)O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 2346917890 PYWDHRRDQLXZAN-GBXCKJPGSA-N 460.575 2.471 30 10 JEEE COC[C@]1(C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C=CCN1C(=O)OC(C)(C)C 2361492809 OJTWJYLAWOBQLA-QFIPXVFZSA-N 479.408 2.251 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC2(C3CN(C(=O)OC(C)(C)C)C3)CC2)n1C 2362340607 OKNLUBYXVAVEML-UHFFFAOYSA-N 460.384 2.157 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@H]2C[C@H](NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)sn3)C[C@H]21 2369090807 VHMFTKGSMNTGEI-FVQBIDKESA-N 479.408 2.339 30 10 JEEE C=CCn1c(=O)c2sc(N3CCCCC3)nc2n(CC(=O)Nc2ccc3c(c2)OCO3)c1=O 21655617 HSCQDABWDBGBMR-UHFFFAOYSA-N 469.523 2.163 30 10 JEEE C[C@@H](OC(=O)c1ccc(CN2C(=O)CNC2=O)cc1)C(=O)Nc1sc2c(c1C#N)CCC2 26691902 BRETWEAYWXWXAF-GFCCVEGCSA-N 452.492 2.344 30 10 JEEE C=CCn1c(=O)c2ccc(C(=O)NCC(C)C)cc2n2c(=O)n(CC(=O)Nc3ccc(F)cc3)nc12 64581550 IMNUPPTZUAGZIO-UHFFFAOYSA-N 492.511 2.161 30 10 JEEE C=CCn1c(=O)c2ccc(C(=O)NCC(C)C)cc2n2c(=O)n(CC(=O)Nc3ccc(C)cc3)nc12 64581553 WSRKGXMMWVUPDN-UHFFFAOYSA-N 488.548 2.330 30 10 JEEE CCCCCCCCO[C@@H]1O[C@@H]([C@H](COC(C)=O)OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 72400207 YQYGIWWSRQRBBQ-BIRZXAFVSA-N 460.520 2.447 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(CNc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CC1 204865988 MOKLJBXDEPRDQD-INIZCTEOSA-N 489.426 2.340 30 10 JEEE CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 208073811 RLELUHNRBUUISA-MSOLQXFVSA-N 489.426 2.338 30 10 JEEE COc1ccc(C(N)=NO)c(-n2cnc(I)c2I)c1 311517370 DBEJXJHQDIDLHH-UHFFFAOYSA-N 484.035 2.185 30 10 JEEE NS(=O)(=O)c1ccc(NC(=O)CSc2n[nH]c(NN=Cc3c[nH]c4ccccc34)n2)cc1 1084119152 UXCGTVZPDRXJJL-UHFFFAOYSA-N 470.540 2.110 30 10 JEEE COCCn1cc(C=NNc2nc(SCCC(=O)Nc3ccc(C(C)=O)cc3)n[nH]2)cn1 1084572239 ZHLBZVMOVUOIHO-UHFFFAOYSA-N 456.532 2.417 30 10 JEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)c2cccc(OC)c2OC)CC1 1135797019 SBLLUYYWFCIGOJ-SFHVURJKSA-N 459.543 2.295 30 10 JEEE C#CCCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN2C(=O)OC[C@H]2C1 1286315280 LKBYQERTJIMZRF-QGZVFWFLSA-N 455.515 2.415 30 10 JEEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1286356686 MUJYAUHDAWFHJB-HXUWFJFHSA-N 468.583 2.146 30 10 JEEE C#CCN(c1nnc(COCC)n1Cc1cc(Br)cs1)[C@@H]1CCS(=O)(=O)C1 1286396497 PYIRSLCKKKEHSN-CQSZACIVSA-N 473.418 2.314 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(F)cc2Br)n1CCN1CCN(C(C)=O)CC1 1286404685 WCXFGQPSFMUBLZ-UHFFFAOYSA-N 487.377 2.084 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccccn2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1286425349 JOLMFPJTLJMKEO-FPOVZHCZSA-N 452.584 2.007 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H](C)CN(C)C(=O)OC(C)(C)C)CC1 1286470294 WUXYMEHDEXEFFG-LJQANCHMSA-N 489.665 2.455 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CCC(=O)N(C)C)CC1 1286488272 MESALNYXLIMIGD-NRFANRHFSA-N 450.587 2.264 30 10 JEEE C#CCSCCn1c(-c2cccn2C)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 1286504993 VSKVFRHJSOMEQI-MRXNPFEDSA-N 458.613 2.495 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(N(C)C(=O)OCC)CC1 1286553740 FYKIHYXZNRBILX-BJLQDIEVSA-N 495.646 2.219 30 10 JEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2ccccc2Cl)C1 1286776298 QHUMYBDJSYQSAA-ZWKOTPCHSA-N 467.979 2.028 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1286779846 NOJANJRYNVQYCM-SFHVURJKSA-N 473.484 2.160 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2nccc(C(F)(F)F)n2)C1 1286810569 SVDHSLIZLRATIR-LSDHHAIUSA-N 486.520 2.013 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1286816429 IWCJXNNRPDDQAH-QFIPXVFZSA-N 474.562 2.171 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1286821475 MHKYZMMOCMEGQB-KSFYIVLOSA-N 482.553 2.132 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1Cc1ccc(Cn2cccn2)cc1 1288816385 DRCFPXMXAJGEGK-GOSISDBHSA-N 482.614 2.311 30 10 JEEE C[C@]1(C#N)CCCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1288974027 AKJKVBBQKASUDE-IFXJQAMLSA-N 496.435 2.447 30 10 JEEE Cc1c(Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CCO[C@@H](C#N)C2)cnn1C 1289264452 FSQFPWLFPRRSOJ-ROUUACIJSA-N 456.551 2.169 30 10 JEEE C=CCOc1ccccc1CNC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 1293525760 OSYLDOVNUULBSD-HKUYNNGSSA-N 450.944 2.345 30 10 JEEE CCN(C)C(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1295073742 GUNNECFIWCMYIA-FQEVSTJZSA-N 455.538 2.335 30 10 JEEE CCN(CC)C(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(S(C)(=O)=O)CCC2)CC1 1295346806 AFMYLNUGICPZFX-UHFFFAOYSA-N 499.641 2.368 30 10 JEEE C=CC1(CC(=O)N(CCNC(C)=O)[C@H](C)C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)C1 1296247186 UPOSBMFPVVYVJP-MRXNPFEDSA-N 453.580 2.495 30 10 JEEE CCOC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(NC(C)=O)nc2)CC1 1296368227 HPDGPJWZAPFUFG-UHFFFAOYSA-N 474.525 2.497 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2CCN2CCOCC2(C)C)c1 1300333223 YQLDIVHNMDHTME-UHFFFAOYSA-N 461.570 2.440 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2C[C@@]2(OC)CCOC2)c1 1300334516 NWWKWEYBEBHKHL-VWLOTQADSA-N 460.538 2.126 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](Cc2ccc(C#N)cc2)C1 1300411512 SRPINLAWJNAKBB-PKTZIBPZSA-N 496.637 2.355 30 10 JEEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(F)cc1C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1300491970 KJXUAUJXCZADSB-WBVHZDCISA-N 499.490 2.062 30 10 JEEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(Cl)c(OC)c(OC)c1 1300601516 IWENYCCUKPVQDZ-CYBMUJFWSA-N 455.968 2.067 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccc(Cl)c3)n2C[C@@H]2COCCO2)n1 1300675573 DAIYSLJHOMCRGC-OAQYLSRUSA-N 470.961 2.497 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H](C)Oc2cccc(OC)c2)CC1 1300685028 DPQKRJBPCGLEJH-CPJSRVTESA-N 469.586 2.162 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@H](CCC)OC)CC1 1300699941 KAVWNRYHFPUDIH-WOJBJXKFSA-N 476.622 2.157 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2Cc2ccc(OCC(F)(F)F)nc2)CC1 1300703218 BLNOZVASKPVRBE-UHFFFAOYSA-N 471.487 2.404 30 10 JEEE C=C(Br)Cn1c(-c2ccccn2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1300837053 FVCCMQVWDPRINJ-LJQANCHMSA-N 460.336 2.063 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](CNC(C)=O)C1 1300895442 SBOYVMCJPBGVBB-FXTUREPZSA-N 461.607 2.336 30 10 JEEE C=CCOc1ccccc1Cn1c(-c2cccnc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1301528730 DNDDEIDHDKRZCU-SFHVURJKSA-N 468.583 2.423 30 10 JEEE CCc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1C[C@@H]1CCCN1CCCO 1306179723 BKLQHHUIJLVANI-QHCPKHFHSA-N 451.619 2.271 30 10 JEEE CO[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CN2CCOCC2)CC1 1315163952 DEGOIAOHGGTCKZ-LJQANCHMSA-N 454.575 2.312 30 10 JEEE N#Cc1cccc(-c2nnc(N3CCC[C@@H](N4CCCC4=O)C3)n2CC(=O)NCC(F)(F)F)c1 1316528329 COYQNMQLCJCJFZ-QGZVFWFLSA-N 475.475 2.086 30 10 JEEE C=CCN(Cc1cc(Br)ccc1F)C(=O)CN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 1358208993 WDDDIQQIGFCZRN-LMSBXDPUSA-N 451.292 2.265 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@@]1(O)CCS(=O)(=O)C1 1358875445 PXLUBNKZJVAGLM-QRQCRPRQSA-N 471.608 2.385 30 10 JEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 1358913403 NIPHFGZIPGJMJH-LJQANCHMSA-N 490.029 2.486 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H](CC)Oc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1358963655 LWQKGHVTHKRFBR-MISYRCLQSA-N 476.574 2.405 30 10 JEEE C#CCN(c1nnc(COCC)n1CC1(c2ccc(F)cc2)CCOCC1)[C@H]1CCS(=O)(=O)C1 1358967499 LSAQNTTXJBQKKA-NRFANRHFSA-N 490.601 2.329 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(OC)cc2C(F)(F)F)CC1 1359035860 GWAWPDIJYBRSDP-QGZVFWFLSA-N 497.543 2.011 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCCN(CC)CC)CC1 1359043298 PKYRVIJCNCVFPJ-UHFFFAOYSA-N 466.586 2.372 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCCS(=O)(=O)c2ccccc2)CC1 1359044402 FKCGIGMPFWFVMU-OAQYLSRUSA-N 499.637 2.002 30 10 JEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 1359048334 MSMVONPEFDAJJJ-UHFFFAOYSA-N 458.632 2.252 30 10 JEEE C#CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCc1cnccn1 1359058185 VBOSCFNBXFBQRF-LJQANCHMSA-N 487.630 2.422 30 10 JEEE C=C(C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1359118377 GCVQRYDQGATLQV-HSZRJFAPSA-N 454.531 2.353 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Br)c2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1359328034 RFQFNFREDFRHEZ-HXUWFJFHSA-N 494.415 2.025 30 10 JEEE CC(C)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCO[C@@H]2C)[C@@H](C)C1=O 1360017011 AKDPYYRLLVGPJY-HOOSLVGPSA-N 452.559 2.050 30 10 JEEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccc(C)c(S(=O)(=O)NC3CC3)c2C)n1 1476181282 FCWIAEODVYQFEV-UHFFFAOYSA-N 459.572 2.254 30 10 JEEE CN(C)C1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)CCC1 1503389560 GVAABXBNSGXKBP-HXUWFJFHSA-N 472.615 2.226 30 10 JEEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2CC)n1CCS(=O)(=O)N1CCSCC1 1507544751 BTCAETFPARXHMR-SFHVURJKSA-N 477.656 2.256 30 10 JEEE C#CCN(c1nnc(-c2cc(C)nc3ccccc23)n1C[C@@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1507627663 SYSSPMORWNAMMS-RTBURBONSA-N 466.611 2.379 30 10 JEEE C#CCN(c1nnc(CSc2ccc(Cl)cc2)n1Cc1nncn1C)[C@H]1CCS(=O)(=O)C1 1507639089 VNMFDZJBHLJECI-INIZCTEOSA-N 492.030 2.027 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2c(C)nn(-c3ccccc3)c2C)CC1 1507715504 CEJNWTNAAHVJGG-UHFFFAOYSA-N 460.586 2.022 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](C)COc2ccccc2OC)CC1 1507739018 KSCWGRUZJCPGMF-TZIWHRDSSA-N 481.597 2.472 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCOc2ccccc2Cl)CC1 1507739360 AQFOKOHLQIBWGS-UHFFFAOYSA-N 484.988 2.099 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CCN(C)C2CCCCC2)CC1 1507739758 KIYQEIOXYGVWNH-UHFFFAOYSA-N 463.630 2.494 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCc2c(OC)cc(OC)cc2OC)CC1 1507741377 QWUJTVOBPJEBNC-OAQYLSRUSA-N 497.596 2.364 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)[C@@H](C)CC(N)=O 1507795758 KAGNGZXDSFKRJJ-IEZWGBDMSA-N 489.646 2.228 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCOC2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1507796955 JZFGNJKHJULIIE-LUYSREMJSA-N 461.607 2.131 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN([C@H](C)c2ccsc2)CC1 1507830494 BUCTWHHQHNMBPK-IEBWSBKVSA-N 480.660 2.132 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 1508083782 CIRRBUHORSKPHJ-UHFFFAOYSA-N 469.590 2.307 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CC[C@](F)(C#N)C1 1508135266 LJDDOWYWQBORHG-NRFANRHFSA-N 455.519 2.378 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 1508141061 KZLPAUIJPOWLID-UHFFFAOYSA-N 463.564 2.483 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCCN(c2ccccc2C#N)CC1 1508144432 QRSJDTFRYUWVKK-UHFFFAOYSA-N 491.621 2.453 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(OC)ccc1OC(F)F 1538975078 XJRHPJSGXCCGIV-QWHCGFSZSA-N 457.503 2.005 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1539002887 YINXACWSVIWPEH-BIBRTQAFSA-N 456.510 2.115 30 10 JEEE C#CCN(C)c1nnc([C@@H](C)Oc2ccccc2F)n1CCS(=O)(=O)N1CCSCC1 1539147944 KNYBJLYODBKGJO-MRXNPFEDSA-N 467.592 2.005 30 10 JEEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(C)CCC1)[C@@H]1CCS(=O)(=O)C1 1539205029 FHPZVQLWUHKIOF-GOSISDBHSA-N 476.624 2.166 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1CC1(NC(=O)OC(C)(C)C)COC1 1539402846 KDPRILWSNQHANJ-UHFFFAOYSA-N 476.965 2.373 30 10 JEEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1Cc1cccc(Br)n1 1539421411 RUHFJORBWHVIKM-UHFFFAOYSA-N 458.364 2.432 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@](C)(O)c2ccc(F)cc2)CC1 1539476320 VQGVMKWLSWXQIL-VWLOTQADSA-N 464.545 2.296 30 10 JEEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1539520767 UFGPUGNPCQRJPK-UHFFFAOYSA-N 481.670 2.201 30 10 JEEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(C)C)C(=O)C1 1539611686 CMDXGCXVBCLVQB-RDJZCZTQSA-N 456.385 2.215 30 10 JEEE C=CC[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCC(NS(C)(=O)=O)CC1)c1ccccc1 1539931538 LXLJEPVCIPJBPJ-IBGZPJMESA-N 474.631 2.294 30 10 JEEE C=CCCCCCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCCS1(=O)=O 1539945576 QTZPLERFTABNOD-MSOLQXFVSA-N 458.650 2.330 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1540865360 COWOBWUBRUVBGT-JKSUJKDBSA-N 476.331 2.432 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1540871507 NFJBEABYLMKVIF-CRAIPNDOSA-N 480.491 2.166 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](CC)c2ccccc2)nnc1N1CCN2C(=O)CC[C@H]2C1 1540898136 AWXSETDLAKXXEO-PMACEKPBSA-N 457.600 2.232 30 10 JEEE CS(=O)(=O)C1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCO[C@@H](C(F)(F)F)C2)CC1 1555792103 DSEAHQRERQUJOY-MRXNPFEDSA-N 485.488 2.073 30 10 JEEE COc1ccc(OC)c(CN(CCO)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1 1564547008 DOWPAJUTCXUKKX-NRFANRHFSA-N 452.511 2.275 30 10 JEEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc2c(c1)C(=O)N(C)CC2 1587829922 ACXGHGQGADKRRZ-LJQANCHMSA-N 454.552 2.407 30 10 JEEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1587861452 MBLVCNBNMHDXGL-KSZLIROESA-N 483.635 2.258 30 10 JEEE C#CCN(c1nnc(-c2ccccc2F)n1CCOc1ncccc1F)[C@@H]1CCS(=O)(=O)C1 1588045290 IYZXJBBPGMOEPE-MRXNPFEDSA-N 473.505 2.324 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1588049752 LEMVEHAPEYJYAG-IHPCNDPISA-N 474.631 2.147 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1cnn(CCOC)c1 1588258611 FTTWZVAURGTSQE-OYRHEFFESA-N 481.601 2.403 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1cn(C2COC2)nn1 1588259137 SDUJRDOAUMSKDU-FQEVSTJZSA-N 480.573 2.024 30 10 JEEE C#CCN(CCOC)c1nnc(Cc2ccc(F)cc2)n1C[C@@]1(N2CCOCC2)CCSC1 1588660192 SBHYILVYNYZGJT-DEOSSOPVSA-N 473.618 2.302 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2CCC(=O)NC(C)(C)C)CC1 1588946739 HXEGSKWLCXNULG-UHFFFAOYSA-N 468.577 2.279 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccc(C)o1)N1CCOCC1 1595219187 RPGFGRQFDAPYKO-PMACEKPBSA-N 475.615 2.334 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC2(CCN(C)C2=O)CC1 1595577541 WPKJDCQEIKNJOG-UHFFFAOYSA-N 472.977 2.261 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1595595731 YPQSYQIFYIVMNG-IRXDYDNUSA-N 470.599 2.129 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H]2CCS(=O)(=O)C2)C1 1595701202 XVEGPQAREDMITP-SJLPKXTDSA-N 462.572 2.178 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](c2ccccc2)C[C@H]1C 1595752598 BDYHIXUMWYFDMA-UYAOXDASSA-N 457.600 2.497 30 10 JEEE CC[C@@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](C#N)C1)NC(=O)OC(C)(C)C 1613654396 HUBZFLDFMKKBAF-ZWKOTPCHSA-N 458.567 2.172 30 10 JEEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCC[C@@H](C)C2)C1 1615972421 CQWDCWQDTQSDDW-WIYYLYMNSA-N 471.631 2.067 30 10 JEEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1 1627264630 PBZRLQOVTKCPID-UHFFFAOYSA-N 454.570 2.002 30 10 JEEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCN(Cc3ccc(O)cc3)CC2)CC1 1659865350 GVFFMDAIGPFSEP-DEOSSOPVSA-N 451.546 2.058 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N2C[C@@H]3Oc4c(F)ccc(F)c4O[C@@H]3C2)C1 1679943965 FGTLFFIDFHFXNS-VCOSZWKGSA-N 450.442 2.257 30 10 JEEE C#CCN(C(=O)NC[C@H]1c2ccccc2C(=O)N1Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1682712652 LSNQQTCEHLNRKH-KNQAVFIVSA-N 451.548 2.216 30 10 JEEE CN(CCN1CCN(c2ccccc2)CC1)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1686055052 GLFRTHABFIGILZ-FPOVZHCZSA-N 456.591 2.209 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1Cc1ncccc1N(C)C)[C@H]1CCS(=O)(=O)C1 1689984730 UFDGKJQIEKXEGX-KRWDZBQOSA-N 486.001 2.130 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(OCCC)c(OC)c2)CC1 1690109512 UNCCJZBVJYQFEZ-UHFFFAOYSA-N 466.586 2.115 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)CCC 1690245567 JXTCYPWDABLZKD-ZRNYENFQSA-N 469.652 2.465 30 10 JEEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(c2nccnc2C)CC1 1690303010 RJKPSWLSZFGWKJ-UHFFFAOYSA-N 497.625 2.366 30 10 JEEE C=C(C)COCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(S(C)(=O)=O)CC1 1690305823 JBZJPTRAODGEIT-UHFFFAOYSA-N 457.959 2.412 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2oc(CCC)nc2C)CC1 1690411899 XHORJTIFUXOXGL-LJQANCHMSA-N 478.619 2.311 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1690672763 CFPIKQSCLSOUCK-IBGZPJMESA-N 456.566 2.299 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCC(C(=O)N2CCCC2)CC1 1690720726 RBXYZQDQYOJMBM-UHFFFAOYSA-N 487.626 2.393 30 10 JEEE CC(=O)N1CCN(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCC(CC#N)CC2)CC1 1690870144 DVJTZLKYPRRHNI-UHFFFAOYSA-N 476.585 2.023 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@H]1CCCC1(C)C 1692793332 BDXDPWPRMDHOLT-PKOBYXMFSA-N 486.646 2.308 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1CC(C)(C)OC)[C@H]1CCS(=O)(=O)C1 1705562707 ICKALVLZHMOPFA-INIZCTEOSA-N 462.572 2.014 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(C(N)=O)CCOCC1 1705619247 LIFBHRZEUBEEOK-SANMLTNESA-N 499.587 2.380 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CC1CCN(C(C)=O)CC1 1705625213 CBIDYBGROGEYNU-NRFANRHFSA-N 452.534 2.267 30 10 JEEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](c2ccccc2)N(CC)CC)CC1 1705641309 ABBQVXFQVJKDCW-QHCPKHFHSA-N 463.630 2.239 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCCN2CCCCC2)CC1 1705645673 ZVQWELKAAPMLBD-SANMLTNESA-N 486.661 2.161 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2CCCOC2CCOCC2)CC1 1705650473 RHTGWZAKQHMDJG-UHFFFAOYSA-N 471.627 2.482 30 10 JEEE C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccn2)CC1)c1ccccc1 1705741118 GTTQRXNSESTVRJ-IBGZPJMESA-N 467.599 2.323 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)NC(C)C)n1CC(=O)NCC(F)(F)F 1705858612 ZRUMCNZEQCEDHE-UHFFFAOYSA-N 463.464 2.159 30 10 JEEE C=CCn1c(C(=O)NC(CC)CC)nnc1N1CCN(CC(=O)N2CCc3ccccc32)CC1 1705886006 KQQYWBWMOBXSKC-UHFFFAOYSA-N 465.602 2.094 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1705909521 ZMZXXSWYVIRAFY-MANSERQUSA-N 474.606 2.371 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@H]2C)cc1 1705911564 LCRIKBKQVSMVIG-XLIONFOSSA-N 461.588 2.213 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCN(c2ccccc2C#N)CC1 1705934091 AVJSLEUHKZKTQT-UHFFFAOYSA-N 477.594 2.448 30 10 JEEE CC(C)C(=O)NCCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1706234087 CWLRZIXDXTYHCD-LJQANCHMSA-N 493.534 2.288 30 10 JEEE CC[C@@H](C)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CCC(=O)N1CCOCC1 1708540415 BNXXBXXUDRYQBQ-HXUWFJFHSA-N 465.602 2.234 30 10 JEEE CC[C@H](C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1708621059 CYWURMRFROMOMF-PZJWPPBQSA-N 465.602 2.280 30 10 JEEE CNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2C[C@@H](C)O[C@H](C)C2)CC1 1711351122 HPPZXCNAYAMZSY-RTBURBONSA-N 465.602 2.278 30 10 JEEE C#CCN(c1nnc(C(C)C)n1Cc1cccc(N2CCCC2=O)c1)[C@H]1CCS(=O)(=O)C1 1722357931 BFSQSZLNUCQYSD-FQEVSTJZSA-N 455.584 2.203 30 10 JEEE C#CCN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H](C)SC)[C@H]1CCS(=O)(=O)C1 1722359366 SEXJCTZXKIWZLX-QAPCUYQASA-N 496.058 2.240 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1Cc1cnn(CC)c1)[C@@H]1CCS(=O)(=O)C1 1722371145 UHNPHHLTAXPWMV-HXUWFJFHSA-N 468.583 2.057 30 10 JEEE C#CCN1CCN(c2nnc(CCCc3ccccc3)n2CC(C)(C)N2CCOCC2)CC1 1722440098 BRUVQLXBXFYOPH-UHFFFAOYSA-N 450.631 2.319 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(C)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1722500672 COWGYYYZKLRFLN-UGKGYDQZSA-N 475.615 2.228 30 10 JEEE C=C(C)COCCn1c(COc2ccccc2F)nnc1N1CCCN(S(C)(=O)=O)CC1 1722536298 MKEWVEIGFCUIIQ-UHFFFAOYSA-N 467.567 2.061 30 10 JEEE C=C(Cl)Cn1c(N(C)CCN2C(=O)c3ccccc3C2=O)nnc1[C@]1(OCC)CCOC1 1722556783 FXWSRDLMYCRDAU-QFIPXVFZSA-N 459.934 2.415 30 10 JEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(Oc2ccc(C)cc2)CC1 1722685743 LRCKLWHYOMJTHY-FQEVSTJZSA-N 461.588 2.153 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1722694872 LEYNXTHNVODNMT-UHFFFAOYSA-N 473.537 2.291 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1722696192 DSBDLBODFNUZPM-QGZVFWFLSA-N 471.993 2.483 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC(NC(=O)c2ccsc2)CC1 1722700252 CHWVVLCSKFIVBY-UHFFFAOYSA-N 465.583 2.026 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1722704890 YUQJWLKZASDQQJ-TZIWHRDSSA-N 494.596 2.231 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccc3C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1722721746 LEFXUYIQGYOKCA-LRVSTDGRSA-N 462.554 2.485 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CCC(N(C)C(C)=O)CC1 1722731407 JSWHCSXPJVFASX-UHFFFAOYSA-N 479.578 2.044 30 10 JEEE CCO[C@]1(c2nnc(N(C)Cc3cccc(C#N)c3)n2C[C@@H](C)N2CCOCC2)CCOC1 1728764869 GEMZAZNLUABSLM-NTKDMRAZSA-N 454.575 2.159 30 10 JEEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1740577880 RVHVBUFYNLJXRW-UHFFFAOYSA-N 476.585 2.485 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](Cc2ccc(F)cc2)C1 1740592503 YSIPHMXOXOOVBI-FPOVZHCZSA-N 475.590 2.233 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCCc2nc(C)cs2)CC1 1740689311 AJOLKYLHHLOJKN-UHFFFAOYSA-N 464.599 2.468 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2ccc(F)c(F)c2F)CC1 1740700729 GCNWQIQMIMKJOF-UHFFFAOYSA-N 488.514 2.140 30 10 JEEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1CCC(NC(=O)COC)CC1 1740747076 XWZLVJLQPMSFPG-UHFFFAOYSA-N 469.409 2.274 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1740989416 MHYKQJXDXKXUSO-UHFFFAOYSA-N 483.642 2.300 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)OCc2ccccc2)CC1 1740990200 LXNIMXQKYAFTKV-UHFFFAOYSA-N 484.582 2.333 30 10 JEEE CCc1nn(C)c(CC)c1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)COC)CC1 1744515357 ADNCFHDPKXJRMV-UHFFFAOYSA-N 476.585 2.018 30 10 JEEE CN(CCCn1c(-c2ccc(C#N)cc2)nnc1N(C)CCNS(C)(=O)=O)C(=O)OC(C)(C)C 1747924256 DMIRSONQJRMYJT-UHFFFAOYSA-N 491.618 2.059 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1748808253 IYTZIPDAWCLLBT-RDJZCZTQSA-N 467.542 2.123 30 10 JEEE C#CCN(c1nnc(-c2ccccc2F)n1Cc1ncnn1C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1748809698 PGDYRBCJIOPAGD-MRXNPFEDSA-N 471.562 2.106 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCOc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1748818158 WQTDASBUIRXNLN-PMACEKPBSA-N 458.584 2.186 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H](C)N1CCN(CC)CC1 1748829187 XWYIEOYLQMKRKH-KRWDZBQOSA-N 458.408 2.135 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(OC)cc(OC)c2)n1Cc1nnc2n1CCCCC2 1748951289 WXBXRELYYUYDPR-UHFFFAOYSA-N 465.558 2.415 30 10 JEEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCCSC1 1748959758 YGFBIWXVJILFFZ-KRWDZBQOSA-N 462.645 2.467 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCN(C(=O)OC(C)(C)C)C2CC2)CC1 1748972254 DQNNWKUYHCOBIG-UHFFFAOYSA-N 494.600 2.080 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CCN(C(=O)OC(C)(C)C)C2CC2)CC1 1748992777 FUEDYYFAHNVBLY-UHFFFAOYSA-N 465.602 2.419 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(c2nccs2)CC1 1749119146 NXLOHNDJLHRWNM-KSZLIROESA-N 495.675 2.043 30 10 JEEE C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(=O)Nc2cccc(C)c2C)CC1 1749604156 AFXRIKDVGIRUBY-UHFFFAOYSA-N 474.569 2.489 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1749687206 NZEGMPRFIOAVOO-HSZRJFAPSA-N 454.531 2.060 30 10 JEEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 1760144077 CEPQLEJNPMLLHC-QGZVFWFLSA-N 462.510 2.410 30 10 JEEE C#CCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1760155480 ZBHRGVJLPFHBRN-SIKLNZKXSA-N 466.586 2.241 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1ccc(OCC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1760186803 ASTUKXMBYONLLR-HXUWFJFHSA-N 481.578 2.422 30 10 JEEE C#CCN(c1nnc(CSc2ccc(C)cc2)n1C[C@]1(O)CCSC1)[C@@H]1CCS(=O)(=O)C1 1760192150 FIIGPOHAAPNACP-XMSQKQJNSA-N 492.692 2.374 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H](CC)N1CCCC1 1760247639 JDEBBOPSNRYDEF-IBGZPJMESA-N 463.586 2.152 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2Cc2snnc2C)CC1 1760255374 YYQOWRCTBHKZTC-UHFFFAOYSA-N 461.393 2.010 30 10 JEEE C#CCN1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2C[C@H](CC(C)C)N(C)C)CC1 1760259072 GHMWSKDMXPAMKI-QHCPKHFHSA-N 479.677 2.184 30 10 JEEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2CC(=O)N(C)C2CCCCC2)CC1 1760260921 HYGOBGICBZORHA-UHFFFAOYSA-N 464.614 2.446 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC)nnc1N1CCN(C[C@@H](O)COc2ccccc2)CC1 1760322885 YTILOIMXGRBNJS-IMSXRSKXSA-N 455.603 2.384 30 10 JEEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1760433638 JLMHOUZGFQXFGK-ROUUACIJSA-N 461.544 2.276 30 10 JEEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@@H](C)[C@H](C)C1 1760514887 IEYZMEHACGVFOK-HZPDHXFCSA-N 459.620 2.331 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(CC#N)CC1 1760550520 AHAPSUQJJCRSJI-UHFFFAOYSA-N 477.612 2.079 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CC1CC1)C1CCCCC1 1760554744 LNVXGRMIJIEOEQ-GOSISDBHSA-N 470.661 2.330 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1760692351 DYILSTORSLDCLN-AZUAARDMSA-N 481.601 2.255 30 10 JEEE CCN(CC)C(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2ccncc2)CC1 1764886355 AVQPRVVEJQFWAA-UHFFFAOYSA-N 472.597 2.445 30 10 JEEE CN(C)C(=O)CC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(C(N)=O)CCCC2)CC1 1766851701 CMJHJYCKBFIPSX-UHFFFAOYSA-N 493.612 2.469 30 10 JEEE COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)N2CCC[C@H](C)C2)CC1 1769135784 FBCRBDUEJNOGAU-VQTJNVASSA-N 465.602 2.232 30 10 JEEE CSc1cc(C)ccc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1771419232 GXWRQDDMRQQODM-LJQANCHMSA-N 490.655 2.430 30 10 JEEE CC(=O)Nc1nnc(S(=O)(=O)N2CCOc3cc(NC(=O)c4cccc(C#N)c4)ccc32)s1 1858486250 QXMYTCWMMKPCPB-UHFFFAOYSA-N 484.519 2.208 30 10 JEEE C=CCOc1ccccc1[C@H]1C(C(=O)N2CCC(C(N)=O)CC2)=C(N)Oc2c1c(CC)nn2CC 1865224947 KRRQRDULGVMQDU-HXUWFJFHSA-N 479.581 2.449 30 10 JEEE C=CCN(CC=C)C(=O)[C@@H](CCSC)NC(=O)c1ccc(OC)c(N2CCN(C)CC2)c1 1869015806 MFHLOGINBCNCAA-HXUWFJFHSA-N 460.644 2.499 30 10 JEEE C=CCn1cc(OCc2n[nH]c(=N)s2)c(=O)cc1CN1CCN(Cc2ccccc2)CC1 1870576114 NEMIDHREGRUHOJ-UHFFFAOYSA-N 452.584 2.195 30 10 JEEE C=CCn1cc(OCC(=O)Nc2ccc(OC)cc2)c(=O)cc1CN1CCN(C(=O)OCC)CC1 1870740385 RWKOJCMIBJAERT-UHFFFAOYSA-N 484.553 2.335 30 10 JEEE C=CCn1c(C(=O)Nc2ccc(C(=O)NCCN(CC)CC)cc2)cc2c(NCCO)ncnc21 1873635849 ZZCSGFAOGLBFGP-UHFFFAOYSA-N 479.585 2.345 30 10 JEEE CC[C@@H](C)N1C(=O)c2ccc(C(=O)NC3=C(c4nc(C)cs4)C(=O)CN3CCOC)cc2C1=O 1873710405 CNEMTHZIQKNCGS-CQSZACIVSA-N 482.562 2.476 30 10 JEEE COc1ccc(/C=N/n2c(SCC(N)=O)nnc2[C@@H]2CC(=O)N(Cc3ccccc3)C2)c(OC)c1 1874210575 XFFMWXXPVGJKRB-ROJKJRQJSA-N 494.577 2.271 30 10 JEEE COC(=O)CSc1nnc([C@@H]2CC(=O)N(Cc3ccccc3)C2)n1/N=C/c1ccc(O)c(O)c1 1874211831 WONDKEGDNKPTDX-SCWWFSKWSA-N 481.534 2.353 30 10 JEEE CC(C)N1C[C@@H](c2nnc(SCC(=O)NCc3ccco3)n2/N=C/c2ccccn2)CC1=O 1874333816 YPOABXSGOCWSMI-HDDDNDSPSA-N 467.555 2.281 30 10 JEEE CC1(C)OB([C@@]23C[C@H]2CCN(S(=O)(=O)CCN2C(=O)c4ccccc4C2=O)C3)OC1(C)C 1990294678 STEMQOSPTPZGQE-IVZQSRNASA-N 460.361 2.171 30 10 JEEE CC(C)(C)OC(=O)NCCC[C@@H](NC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)C(=O)O 2059770197 PZHAMYGCPDPBRU-LSDHHAIUSA-N 456.540 2.448 30 10 JEEE CC1(C)OB(c2ccoc2C(=O)N[C@@H]2CCOC[C@@H]2NC(=O)OCc2ccccc2)OC1(C)C 2255650481 ZSNYGIWGEGIIHQ-MOPGFXCFSA-N 470.331 2.393 30 10 JEEE CC(C)(C)OC(=O)N1CCS(=O)(=NC(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)CC1 2267000033 RRSYKKWFOJSCCS-UHFFFAOYSA-N 465.381 2.240 30 10 JEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CCNC(=O)[C@H]2C[C@@H]2B2OC(C)(C)C(C)(C)O2)C1 2267097782 SCYQIYKQVVPUEQ-PMPSAXMXSA-N 472.413 2.009 30 10 JEEE Cc1nc(C(=O)N[C@H]2COCC[C@@H]2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2267172000 RIDCPNLHIHSICM-KBPBESRZSA-N 467.397 2.163 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H]1CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2267376614 YTHTZWUVCDUMMJ-CVEARBPZSA-N 466.409 2.425 30 10 JEEE Cn1nc(C(=O)N[C@@]23C[C@H]2CN(Cc2ccccc2)C3)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2267502996 WJYMTLMYDQIADB-QMHKHESXSA-N 456.783 2.377 30 10 JEEE CC(C)(C)OC(=O)N1CCN(CCNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)CC1 2267592216 KSXCMDRMERUFEI-UHFFFAOYSA-N 465.425 2.330 30 10 JEEE CN(CCOCCNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2267727798 YERLWNPNPPZPNO-UHFFFAOYSA-N 490.453 2.209 30 10 JEEE Cc1csc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2268650015 MEEMMTONGYTUKZ-CABCVRRESA-N 466.409 2.342 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)N(C)[C@@H](C)c1nscc1B1OC(C)(C)C(C)(C)O1 2268651934 CMLFGGPPSNOWPN-XEZPLFJOSA-N 469.413 2.236 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)sc1CNC(=O)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 2268716935 WEICANCHPZFQIJ-QFIPXVFZSA-N 466.409 2.344 30 10 JEEE CC(C)(C)OC(=O)N[C@]12CO[C@](C(=O)NCc3sccc3B3OC(C)(C)C(C)(C)O3)(C1)C2 2268719491 FOTDFAYVGASQBQ-HZCBDIJESA-N 464.393 2.490 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](O)CN(C(=O)c2cccc(F)c2B2OC(C)(C)C(C)(C)O2)C1 2281763125 LUNHPUQIKQPALA-LSDHHAIUSA-N 464.343 2.225 30 10 JEEE CS[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 2282002153 KSELGEKRRVKXQH-CABCVRRESA-N 480.440 2.108 30 10 JEEE CC1(C)OB(c2cnc(C(=O)N3CCC[C@@H](CNC(=O)C(F)(F)F)C3)c(F)c2)OC1(C)C 2282050843 PINFHKWZKALEAT-LBPRGKRZSA-N 459.249 2.051 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](NC(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)CCO1 2282060861 CKOHZNBHTIQPGS-HOTGVXAUSA-N 461.368 2.183 30 10 JEEE CC(C)(C)OC(=O)NC[C@@]12CN(C(=O)c3sncc3B3OC(C)(C)C(C)(C)O3)C[C@H]1CCO2 2282063763 QHPZULSCDPQMKM-JLCFBVMHSA-N 479.408 2.198 30 10 JEEE Cc1ccc(C(=O)NCCC2(O)CN(C(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2282125388 WFNOOSHTQCVZNM-UHFFFAOYSA-N 460.380 2.396 30 10 JEEE COC[C@@]1(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)CCCN(C(=O)OC(C)(C)C)C1 2282193271 JDMJOUIXEFLWAE-HSZRJFAPSA-N 463.384 2.460 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@@H](CNS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282301901 SHCOFMHEDLTPOQ-INIZCTEOSA-N 481.424 2.306 30 10 JEEE CC(C)(C)OC(=O)N1CC2(CC(NS(=O)(=O)Cc3ncsc3B3OC(C)(C)C(C)(C)O3)C2)C1 2282489080 CBSRTMNOXHDVAZ-UHFFFAOYSA-N 499.464 2.261 30 10 JEEE COC(=O)CN(Cc1ccccc1)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1OC 2282494462 YUYOCEKYMFEITA-UHFFFAOYSA-N 475.372 2.358 30 10 JEEE Cn1ncc(C(=O)N2C[C@H](NC(=O)OC(C)(C)C)CC(F)(F)C2)c1B1OC(C)(C)C(C)(C)O1 2282559086 NFLSLKAARVRVDE-CYBMUJFWSA-N 470.326 2.094 30 10 JEEE Cc1ccnc(C(=O)N2CC[C@@H](C)[C@H](NC(=O)C(F)(F)F)C2)c1B1OC(C)(C)C(C)(C)O1 2282566670 BXAVBHSSSPCPAN-TZMCWYRMSA-N 455.286 2.218 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(C(=O)N[C@H](C)C2(O)CN(C(=O)OC(C)(C)C)C2)c1 2282681775 HBFRZYMHUNRQMA-MRXNPFEDSA-N 460.380 2.394 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1CCc2ccc(B3OC(C)(C)C(C)(C)O3)cc21 2283950938 QRTZLGWHVIYZDW-PKOBYXMFSA-N 458.364 2.245 30 10 JEEE COc1ccc([C@@H]2C(=C(O)c3ccccc3)C(=O)C(=O)N2CCN2CCOCC2)c(OC)c1 2296133128 ZVFAYSNKVOUUCM-JOCHJYFZSA-N 452.507 2.458 30 10 JEEE COc1cc(C=Nn2c(SCCCO)nnc2[C@@H]2CC(=O)N(C(C)(C)C)C2)cc(OC)c1O 2327888727 DBAXJBIMSCTJKO-OAHLLOKOSA-N 477.587 2.472 30 10 JEEE COC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(OC)c(B2OC(C)(C)C(C)(C)O2)c1 2339733141 GTOSNSIZRMSIRL-MRXNPFEDSA-N 450.341 2.473 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H]2CN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)C[C@@H]2C1 2359267882 JFRTVVNROICTHB-PMPSAXMXSA-N 460.384 2.474 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CS(C)(=O)=O)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2360551201 LZPDTKCNILIHJD-INIZCTEOSA-N 486.371 2.001 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@]2(F)C[C@@H](NC(=O)OC(C)(C)C)C2)n1C 2362492607 CMXFIBZWSAZXDC-XLOAEROZSA-N 466.363 2.153 30 10 JEEE CC(C)(C)OC(=O)N(CCO)CCC(=O)NCCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2368494632 JLFWGUAFZNWZHP-UHFFFAOYSA-N 462.396 2.264 30 10 JEEE CC(C)n1cc(/C=N/Nc2nnc(SCCC(=O)Nc3cccc([N+](=O)[O-])c3)n2N)cn1 20921328 ISFRRXIALHDSBY-AWQFTUOYSA-N 458.508 2.244 30 10 JEEE C=CCn1cc(/C=N/Nc2nnc(SCC(=O)Nc3cc(Cl)ccc3OC)n2N)cn1 59830127 OFBRJDAYLNCIAA-ODCIPOBUSA-N 461.939 2.213 30 10 JEEE CCCCCCCCO[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1NC(C)=O 100313254 MKWRBOCGIQFSER-PVIWCNJMSA-N 459.536 2.020 30 10 JEEE COC(=O)c1[nH]c(C)c(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccccc2)c1C 102517923 KYKDIYZJYHOSMQ-DQVIVYRFSA-N 467.522 2.172 30 10 JEEE CCN(CC)S(=O)(=O)c1ccc(/C(O)=C2/C(=O)C(=O)N(CCOC)[C@@H]2c2cccc(O)c2)cc1 102911384 UYYBSOQRALOSNF-SADKCHQCSA-N 488.562 2.491 30 10 JEEE CCN(CC)c1ccc(N2/C(=N\C(=O)CCCC(=O)O)S[C@H]3CS(=O)(=O)C[C@H]32)cc1 104858001 IPVLSJAUJHLJEC-ABUFQMGBSA-N 453.586 2.389 30 10 JEEE O=[N+]([O-])c1ccc(-c2ccc(C=NNc3nc(N4CCOCC4)nc(N4CCOCC4)n3)o2)cc1 252594851 BVPJMCVKAJNCNF-UHFFFAOYSA-N 480.485 2.159 30 10 JEEE COc1ccccc1CNC(=O)CSc1nnc(N/N=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)[nH]1 253572230 PYKSZFJFVIBLKT-ZVBGSRNCSA-N 486.470 2.484 30 10 JEEE Cc1nn(-c2ccccc2)c(N2CCOCC2)c1/C=N/Nc1nnc(S[C@@H](C)C(=O)NC2CC2)[nH]1 253578619 YOSYQAIJXDKXKK-GCMSVZMUSA-N 495.613 2.341 30 10 JEEE C=CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cc(Br)c3c(c2)OCO3)c1=O 523306586 WQTLZGKEOAMNPK-UHFFFAOYSA-N 473.348 2.459 30 10 JEEE CC(=O)Nc1ccccc1NC(=O)CCSc1n[nH]c(NN=Cc2c(C)nn(CCO)c2C)n1 1084234701 NOMSXEVKFQXGPP-UHFFFAOYSA-N 485.574 2.136 30 10 JEEE C#C[C@@H]1CCCCN1C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1 1158806834 YJLRLUWZELJSEJ-OAQYLSRUSA-N 459.612 2.437 30 10 JEEE CCNS(=O)(=O)c1cccc(CNS(=O)(=O)c2cc(Br)cc(C#N)c2)c1 1212110055 FGDJRZAVDCQKRH-UHFFFAOYSA-N 458.359 2.097 30 10 JEEE N#Cc1cccnc1OC1CCC(NC(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)CC1 1234607181 AUTCICFOVYIGQU-UHFFFAOYSA-N 454.575 2.159 30 10 JEEE C#CCN(C(=O)NC1CCN(Cc2coc(-c3ccccc3)n2)CC1)[C@H]1CCS(=O)(=O)C1 1246167847 NJANZPDRGYTKOJ-NRFANRHFSA-N 456.568 2.138 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CC(F)(F)CO1 1286297936 ZEIXTBVVHQQWII-ARFHVFGLSA-N 455.506 2.469 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H](CCC)OC)[C@H]1CCS(=O)(=O)C1 1286384775 RYNIBAZJKSUNHI-RBUKOAKNSA-N 461.544 2.295 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CCN1CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1286394508 JFCWEXYXQONHBW-CTNGQTDRSA-N 489.617 2.355 30 10 JEEE C#CCN(c1nnc(CC2CCCC2)n1CCNC(=O)c1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 1286394599 WEFAQEGTUMKKRB-JOCHJYFZSA-N 483.638 2.376 30 10 JEEE C#CCN(CC#C)c1nnc(C2(c3ccccc3)CCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1286399242 CEMMAYDKCKEMFW-FCQUAONHSA-N 454.534 2.347 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCc1nc(C)no1 1286427819 NBQLJAPKJMIQMH-LJQANCHMSA-N 483.573 2.374 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC2(N(C)C)CCC2)CC1 1286469941 PJQKWECOJHQQIE-UHFFFAOYSA-N 470.021 2.101 30 10 JEEE C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1286584484 LVDZLQLWPAYRAL-OAHLLOKOSA-N 476.423 2.411 30 10 JEEE C=C(Cl)Cn1c(CNC(=O)c2cccs2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1286632066 DJVJCWCMAJPRSQ-UHFFFAOYSA-N 494.065 2.403 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1ccnn1C)C1CC1 1286673069 UAOAIGNHXPZHAP-LJQANCHMSA-N 477.635 2.116 30 10 JEEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1286683294 NWRHHCMSXQVVHZ-HXUWFJFHSA-N 480.617 2.415 30 10 JEEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 1286709917 IFMCBFSMAHGUGC-KRWDZBQOSA-N 455.519 2.057 30 10 JEEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cccc(C(N)=O)c1 1286727715 YAADNALUQAUFGA-GOSISDBHSA-N 456.547 2.356 30 10 JEEE C=CCN(CC=C)c1nnc(C(=O)N2CCCC2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1286751604 JIXQTZHZBXNXPJ-QGZVFWFLSA-N 456.513 2.346 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@@H](C)C[C@H]1CC 1286819554 NXPVFDMBFNSSMC-DLBZAZTESA-N 470.599 2.418 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N(CC)C[C@H]1COc2ccccc2O1 1286820617 OKRVKCVEAJNICM-MSOLQXFVSA-N 462.572 2.049 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(C(N)=O)CCOCC1 1286966701 BBAQPGQHBRRPRG-QZTJIDSGSA-N 489.621 2.271 30 10 JEEE CC(C)CC[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1287545600 CTBMXXNYNKLAOH-JOCHJYFZSA-N 461.588 2.151 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccnc(N2CCCCC2)c1 1288524530 DRIIOXJXKSZGIW-PKOBYXMFSA-N 457.604 2.352 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1300283086 RYZYVFBURLXOJR-LIRRHRJNSA-N 467.389 2.024 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC(=O)NCC=C)[C@H]1CCS(=O)(=O)C1 1300483218 IUAQYXLKGBCSJA-WMZOPIPTSA-N 492.001 2.000 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCCN2C[C@@H](C)C[C@H](C)C2)CC1 1300710858 OBDNSUOGQVOPLS-MLCQCVOFSA-N 458.651 2.125 30 10 JEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C)c2cccc(OC)c2)CC1 1300756913 WJEWKHJVUDOCHZ-GHTZIAJQSA-N 468.627 2.487 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2c(F)cccc2OC)CC1 1300991583 VHNUVUBVVBHINC-SFHVURJKSA-N 493.605 2.247 30 10 JEEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@](C)(N2CCOCC2)C1 1301457817 BULBAWKPSYOZRM-JPYJTQIMSA-N 462.595 2.074 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CNC(C)=O)CC1 1301531427 MCNUQBDWDMGYAR-NRFANRHFSA-N 487.626 2.146 30 10 JEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCc2ccc(Cl)cc2C1 1301586078 HWEACWNXNYJCTP-UHFFFAOYSA-N 463.991 2.217 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1301593734 SUXGXCJPLASNFZ-LJQANCHMSA-N 470.599 2.494 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@H]1CCCO[C@@H]1C(C)C 1303402133 FDSRYWBNLSZKPS-RBBKRZOGSA-N 480.617 2.461 30 10 JEEE CCCN(CC)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1306803542 CVYSNRHCUBWOGT-NRFANRHFSA-N 469.638 2.492 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1OCC(C)C 1358890745 VCOMEUUNFTYGTD-NQIIRXRSSA-N 475.615 2.152 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1OCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1358958299 KZGXXKWTBYSFFX-RTBURBONSA-N 473.555 2.295 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CCCOc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1358965325 SJIBJEVWOUPICY-OAQYLSRUSA-N 483.569 2.499 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1c(CC)nn(C)c1CC 1359023798 WXCSPRFZHHKDRB-UHFFFAOYSA-N 488.596 2.185 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1359188711 SVADRFNNTDDGKQ-VQTJNVASSA-N 481.663 2.405 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C)on1 1359259454 WOPCEJPTCUOWDF-HXUWFJFHSA-N 472.571 2.148 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 1359291225 IPZPAVLXJNBZQB-MRXNPFEDSA-N 487.630 2.148 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cc(COC(C)(C)C)on2)C1 1359321167 BKBIDNUFGARLFJ-FUHWJXTLSA-N 479.603 2.313 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccccc2C)CC1 1359332317 UXYDYFDOOKPNAE-FQEVSTJZSA-N 459.616 2.408 30 10 JEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(Oc2ccc(C(=O)N(C)C)cn2)CC1 1453245108 TWQPKJQNEBLNKH-LJQANCHMSA-N 458.559 2.460 30 10 JEEE COC[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCS(=O)(=O)C2)C1 1504682020 HDVIHKGEMMSWBV-VQTJNVASSA-N 473.599 2.416 30 10 JEEE COCCN(CCC#N)c1nnc(-c2ccccc2Cl)n1C[C@H]1CCN(S(C)(=O)=O)C1 1504884886 FHGWTDRICIITAR-INIZCTEOSA-N 466.995 2.246 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2CCNC(=O)C(C)(C)C)c1 1507552050 JVADCDAURINTTO-UHFFFAOYSA-N 473.581 2.482 30 10 JEEE C#CCN(c1nnc(C(C)C)n1C[C@H](c1cccc(OC)c1)N(C)C)[C@H]1CCS(=O)(=O)C1 1507622062 FLOCTHVVQZMTBU-PZJWPPBQSA-N 459.616 2.340 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H](CC)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1507629522 NDYVDRNOPAFTBM-MSOLQXFVSA-N 488.614 2.270 30 10 JEEE C#CCN(c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C1CC1)[C@@H]1CCS(=O)(=O)C1 1507632658 OSSGTWBAQPOIPB-GOSISDBHSA-N 463.604 2.354 30 10 JEEE C#CCN(c1nnc(CCOc2ccccc2)n1Cc1nc(C)cs1)[C@H]1CCS(=O)(=O)C1 1507640096 PHJJFBMEHKCVAG-SFHVURJKSA-N 471.608 2.340 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@H](C)CN1CCOCC1 1507648326 NJBYQHLYUBOKDQ-NRFANRHFSA-N 487.608 2.277 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2cccc(N(C)C)c2)CC1 1507741418 SDBCUGNTRHICHL-GMAHTHKFSA-N 480.613 2.082 30 10 JEEE C=C(Br)Cn1c(N2CCN(C(C)=O)C[C@@H]2C)nnc1[C@]1(OC(C)C)CCOC1 1507794410 XNDTZZFVWFXJAU-KXBFYZLASA-N 456.385 2.284 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1507807991 XLANZZLJVVKWHV-ONTIZHBOSA-N 474.631 2.011 30 10 JEEE C=C(C)CN(CC)c1nnc(COc2ccc(Cl)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1507824373 ZNHCXOLFWZNJSA-FQEVSTJZSA-N 454.980 2.463 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1508077204 LJRZQULCSICTKX-LJQANCHMSA-N 479.585 2.018 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCO[C@H]2C(C)C)C1 1508113815 IDQXBIFSYOLAEU-OKYOBFRVSA-N 455.625 2.121 30 10 JEEE CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N(CC#N)c3ccc(F)cc3C)c2)CC1 1534431215 UVTVQTZGLSDLTQ-UHFFFAOYSA-N 458.515 2.157 30 10 JEEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](CC(N)=O)C1 1539126483 WFOLPNUGVASOBT-ROUUACIJSA-N 460.579 2.092 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1Cc1ccc(C)s1)[C@H]1CCS(=O)(=O)C1 1539202885 LUZWICVYNUNOGM-KRWDZBQOSA-N 463.629 2.241 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CCCN1CCOC1=O)[C@H]1CCS(=O)(=O)C1 1539213034 UFRZKMXXTXMKRC-SFHVURJKSA-N 477.974 2.068 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC(F)(F)Br)[C@@H]1CCS(=O)(=O)C1 1539215510 DQMLVZVMQNTASX-CYBMUJFWSA-N 474.331 2.263 30 10 JEEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1Cc1cc2c(cc1OC(F)F)OCO2 1539237494 FMKZKJGDVWIYHH-QHCPKHFHSA-N 474.464 2.381 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1539475628 KKZVWGYIOOVBSB-NRFANRHFSA-N 462.598 2.478 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCSCCCO 1539551873 BRFUTYPGFNIAML-HSZRJFAPSA-N 452.584 2.300 30 10 JEEE C=C(Cl)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1539794233 VYOFAKKNSBINHG-CRAIPNDOSA-N 486.960 2.349 30 10 JEEE C=CC1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC(=O)NCC(F)F)CC1 1539889688 ACZJZNUANYWBFT-MRXNPFEDSA-N 484.548 2.370 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C(=O)c2cccs2)CC1 1540862030 OVYLOEFKSHGPLI-UHFFFAOYSA-N 479.566 2.388 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1540879706 LVLHLQSUQMJWML-MHECFPHRSA-N 455.559 2.414 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2c(F)cccc2Cl)C1 1540893162 YCNLVDLQLGZHBH-HNAYVOBHSA-N 499.996 2.233 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 1540901221 WTAZBRWZKNTRQP-UHFFFAOYSA-N 486.573 2.415 30 10 JEEE CN(C(=O)CN1CCN(C(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)CC1)C1CCCCC1 1542870924 GHSAWBUOQSRLIQ-HXUWFJFHSA-N 455.578 2.459 30 10 JEEE CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1547031525 BGYRMOAXPAGEIG-UHFFFAOYSA-N 467.603 2.310 30 10 JEEE CCN1CCN([C@@H](C)Cn2c(C(=O)N3CCCC3)nnc2N(C)Cc2ccc(C#N)cc2)CC1 1547699422 HGRCLCZYRITEKH-FQEVSTJZSA-N 464.618 2.048 30 10 JEEE COCCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1CC(C)(C)N1CCc2ccccc2C1 1555556571 DIQUGQBCMZBSIH-OAQYLSRUSA-N 465.602 2.433 30 10 JEEE N#C[C@@H]1CN(S(=O)(=O)N2CCN(Cc3ccc(-c4cccc(F)c4)s3)CC2)CCO1 1561119994 DZYPUDPEFXIERQ-GOSISDBHSA-N 450.561 2.141 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(Cc3ccc(Cl)nc3)CC2)s1 1565759442 BLUPBHSARQKLGJ-UHFFFAOYSA-N 455.005 2.148 30 10 JEEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2CC(=O)N(c3cccc(Br)c3)C2)n1 1586565458 QFSWSZDXJUWEDS-MRXNPFEDSA-N 459.344 2.307 30 10 JEEE C#CCCCn1c([C@H]2CCCCO2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1587856194 IAYPSJBUILTCPL-QGZVFWFLSA-N 464.617 2.209 30 10 JEEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1587879189 OXRVQAHYGVGSMM-UHFFFAOYSA-N 450.547 2.248 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H](OC)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1588044973 DQHJHRXXCLGRNP-GHTZIAJQSA-N 488.610 2.404 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@@H]1CC(F)(F)CO1)[C@H]1CCS(=O)(=O)C1 1588070220 XIWBYBDZJORNHW-WMZOPIPTSA-N 484.500 2.047 30 10 JEEE C#CCN(c1nnc(COCC)n1C[C@@H](c1cccs1)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1588074081 IKNBSGAMKNAIHI-MOPGFXCFSA-N 477.656 2.340 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2cccc(OC)c2)CC1 1588837349 QOOKSUJSAGYPMH-JOCHJYFZSA-N 496.612 2.399 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1589484706 VUDJTCIVCWPZOL-ZVDOUQERSA-N 460.623 2.482 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1595812709 ZOBQORBHGHTPPW-FQEVSTJZSA-N 455.588 2.211 30 10 JEEE CC(=O)NCC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N2CCCCC2)CC1 1596616640 FABILNHHZMLASY-UHFFFAOYSA-N 493.612 2.484 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1C[C@@H]1CC1(C)C 1611704416 AOVNFJSMCGKTAN-WBVHZDCISA-N 475.594 2.272 30 10 JEEE Cc1noc(C)c1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1612632969 FXKHBWZSONWSEM-UHFFFAOYSA-N 469.571 2.330 30 10 JEEE CCO[C@]1(c2nnc(N3CCN(c4ccc(C#N)cn4)CC3)n2C[C@@H](CC(C)C)N(C)C)CCOC1 1616252023 ASKJEIWMYASFNL-ATIYNZHBSA-N 496.660 2.500 30 10 JEEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2([S@@](C)=O)CCC2)C[C@H]1C 1619938934 HTHFRCINHQKHPF-ZUQCGGBESA-N 456.616 2.275 30 10 JEEE C#C[C@H](CC)NC(=O)c1n[nH]c(C2CN(C(=O)OC(C)(C)C)C2)c1I 1640106908 FYTWOGJLTXGYDO-LLVKDONJSA-N 458.300 2.490 30 10 JEEE CC(C)(C)OC(=O)N1CC(O)(CN(Cc2ccccc2)S(=O)(=O)c2cccnc2C#N)C1 1671248511 DGAZXIIHRQKOMV-UHFFFAOYSA-N 458.540 2.126 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCNC(=O)c1occc1C 1689847828 JGKGBOSOAFTUTN-KRWDZBQOSA-N 473.537 2.371 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCCOC(C)C)[C@@H]1CCS(=O)(=O)C1 1689994035 PRIHVNXCWOMBEU-GOSISDBHSA-N 451.618 2.076 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1CCS(=O)(=O)c1ccccc1 1690190123 LZFLFGMAPNNCRQ-HSZRJFAPSA-N 464.551 2.391 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(CC(N)=O)CC1 1690251351 TXEDDPHTTOHNHK-UTKZUKDTSA-N 472.615 2.343 30 10 JEEE C=CCn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1690636324 SBVUMSFOOSKDRE-UHFFFAOYSA-N 482.585 2.200 30 10 JEEE C=CCNC(=O)Cn1c(N2CC[C@@H](C(=O)N(C)c3ccccc3)C2)nnc1[C@]1(OC(C)C)CCOC1 1690676952 JGTITMZXZDFLRM-IBVKSMDESA-N 496.612 2.110 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N2CCOCC2)C1 1691272872 CIVUDUFINZCDQD-HXUWFJFHSA-N 495.584 2.169 30 10 JEEE COc1cc(OC)cc(-c2nnc(N3CCC(CC#N)CC3)n2CCN2CCCS2(=O)=O)c1 1697303209 BCOKGBCTMOGDOT-UHFFFAOYSA-N 474.587 2.128 30 10 JEEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C(C)C)N2CCCC2)CC1=O 1698087258 DBYXCEGLVKYYLM-JOCHJYFZSA-N 465.602 2.232 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCn1cc([C@H]2CCOC2)cn1 1705482205 UVXVGDYEQCPIHG-MJGOQNOKSA-N 468.583 2.207 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1CCOc1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 1705563833 GMHRGBOVHSWWLK-FQEVSTJZSA-N 451.552 2.354 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1CCOc1ccccc1C)[C@H]1CCS(=O)(=O)C1 1705564043 JYRSIMOUSPCDKU-IBGZPJMESA-N 453.568 2.298 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@](C)(O)c1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 1705567401 XTKJESRVWWCZTE-AVRDEDQJSA-N 473.986 2.461 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@H](C)Oc1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1705569452 HHIDKGIYOHKUDU-PZJWPPBQSA-N 495.605 2.367 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 1705598337 HFSJEWSXJDSSFM-KSZLIROESA-N 487.548 2.368 30 10 JEEE C#CCN1CCN(c2nnc(CSc3ccc(C)cc3)n2CC2(CS(C)(=O)=O)CC2)CC1 1705642838 JCCVKNVJNSZWMO-UHFFFAOYSA-N 473.668 2.459 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCc2cccc(F)c2F)CC1 1705645647 ZIYOWRXJRCJTSZ-VWLOTQADSA-N 487.551 2.417 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H](C)Oc2ccccc2OC)CC1 1705648299 QFKPTNTVQBRLSV-AZUAARDMSA-N 467.570 2.224 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CCNC(=O)c2ccc(C)cc2)CC1 1705649501 AAWQALRMROGFDG-UHFFFAOYSA-N 450.587 2.181 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccc(OC)cc3)n2CC2(C)COC2)CC1 1705650038 JUZDNIYQRNHKGW-UHFFFAOYSA-N 451.571 2.074 30 10 JEEE C=C(Cl)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@H](n2cncn2)C1 1705749771 HWINVGNEDMLHMC-KRWDZBQOSA-N 476.994 2.381 30 10 JEEE C=CC1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1705784768 IKWROTSUJVTZKW-OAQYLSRUSA-N 466.991 2.463 30 10 JEEE C=CC[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](CNC(C)=O)C1)c1ccccc1 1705795313 HETPEAKDIIVTSR-YADHBBJMSA-N 466.586 2.215 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)n(C)c1=O 1705880250 ZIXITQVWRZWGLY-IBGZPJMESA-N 471.583 2.064 30 10 JEEE C=CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCc2nccn2C1 1705881888 FKHYHUOKQAOOTP-GOSISDBHSA-N 470.599 2.447 30 10 JEEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@@H](C)CC1 1705895491 IJDJPEKBNWCRKY-MRXNPFEDSA-N 459.620 2.475 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1705897880 VZHZRGWYYBYARZ-RKVPGOIHSA-N 474.949 2.308 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1705908229 LGSKRGYCINGBSM-HXUWFJFHSA-N 466.586 2.313 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCO[C@@H]2C(C)C)C1 1705925487 PWJUQONGMUAUHL-UAFMIMERSA-N 452.621 2.413 30 10 JEEE C=CCSCCn1c(-c2cnccn2)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 1705942814 FLWQNEJTXGVDRE-OAHLLOKOSA-N 459.601 2.499 30 10 JEEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C)C(C)(C)C1 1705946755 QFIHFXZUYUFMIW-IRXDYDNUSA-N 457.666 2.403 30 10 JEEE COc1ccc(Cn2c(-c3cccc(C)n3)nnc2N2CCO[C@H](C#N)C2)c(OC)c1OC 1711842760 FTRNOAHDAWBIGT-QGZVFWFLSA-N 450.499 2.451 30 10 JEEE C#CCCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCS(=O)(=O)CC1 1722319194 LKRRIZOABSKYAG-GOSISDBHSA-N 465.620 2.431 30 10 JEEE C#CCCCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1722340175 PLOGZNPGPLLURO-NRFANRHFSA-N 491.589 2.040 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CC(C)(C)N2CCOCC2)CC1 1722435520 JSOMXFSTDBFPPX-UHFFFAOYSA-N 482.629 2.218 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2C[C@@](O)(c2ccccc2)C(F)(F)F)CC1 1722439230 TXGGCBBPGLFENK-HSZRJFAPSA-N 470.499 2.469 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2Cc2conc2COC)CC1 1722450338 DWWXQCXHXZJSPD-UHFFFAOYSA-N 478.553 2.314 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1722466011 IYXNDKIOOCXNHJ-VAXXYWNWSA-N 490.674 2.393 30 10 JEEE C=C(Br)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1722479576 DWSLUGRDYQCNQN-LJQANCHMSA-N 484.402 2.468 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N(C)C[C@@H]2CCN(C(C)=O)C2)nnc1[C@@]1(OCC)CCOC1 1722502874 UKWJUOBJMSSXDJ-SEDAZVQISA-N 461.607 2.216 30 10 JEEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1722534159 LAKAZCAJYKXIDG-SFHVURJKSA-N 452.563 2.431 30 10 JEEE C=C(Cl)Cn1c(N2C[C@H](C)[C@@H](N3CCN(C(C)=O)CC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1722556569 CHAQMRGLUQDCQO-KPDCDPCYSA-N 481.041 2.060 30 10 JEEE C=CCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1722586225 AALJHWJBHCWFGK-UHFFFAOYSA-N 454.623 2.415 30 10 JEEE C=CCCOCCn1c(CC(C)C)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1722629760 NXHCVLCPVIDZCK-QRVBRYPASA-N 497.662 2.196 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)C1CCC(NC(C)=O)CC1 1722692666 UMUWYMFKJSSXRM-UHFFFAOYSA-N 481.601 2.333 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC[C@H](C(=O)NC)C1 1722723713 CTJCYLLCJMQCIR-SFHVURJKSA-N 482.610 2.365 30 10 JEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1740581477 YRJMBLBCNCCZQP-MRXNPFEDSA-N 476.006 2.153 30 10 JEEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1C[C@H]1CC=CCO1)[C@H]1CCS(=O)(=O)C1 1740627994 MEKJDWIHSVAOLJ-AZUAARDMSA-N 476.986 2.482 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)CN1CCOCC1 1740687598 CPMVOQBHKAATFZ-SFTDATJTSA-N 490.649 2.404 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCCC(=O)NC2CC2)CC1 1740699585 MNTXYPODTSXNAS-UHFFFAOYSA-N 450.587 2.288 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCOC(C)C)CC1 1740703915 HBFSBPXIQINLAS-UHFFFAOYSA-N 455.559 2.353 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CCCN(C)C(C)C)CC1 1740707222 UMOGDYLEBALUEH-UHFFFAOYSA-N 457.648 2.330 30 10 JEEE C#CCSCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCN(CC(=O)NC(C)C)CC1 1740721080 WRDGWBKBGGUQMV-UHFFFAOYSA-N 479.654 2.363 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1740766327 HEYYIZAUKLNOJT-MZYLBHOOSA-N 468.602 2.144 30 10 JEEE C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(c2nccc(OCC)n2)CC1 1740861819 AKUAAYHMSOVRBF-GOSISDBHSA-N 454.579 2.491 30 10 JEEE C=CCN(c1nnc(-c2cc(OC)ccc2Br)n1CCS(=O)(=O)NC)C1CC1 1740907972 FZGVBLFHCMKRPZ-UHFFFAOYSA-N 470.393 2.420 30 10 JEEE C=CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC(NC(=O)C(C)C)CC1 1740944100 PIHRXEUAUNXHPB-UHFFFAOYSA-N 459.620 2.474 30 10 JEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCc1ccc(Br)cc1 1740946566 AACVDVDLTPVBJE-QGZVFWFLSA-N 484.420 2.238 30 10 JEEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1740961082 LDAYUQRSPOYTGE-HXUWFJFHSA-N 471.512 2.244 30 10 JEEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(C(F)(F)F)CC1 1740963368 IPFDGSXOOXLGFF-UHFFFAOYSA-N 456.494 2.351 30 10 JEEE C[C@@H]([C@@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1CC1([S@](C)=O)CCC1)S(C)(=O)=O 1741136626 BCTFRTQFUZLPLN-KKUWSCMFSA-N 463.629 2.376 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C(N)=O)C1 1741213666 FFWAOUDUQBOUDM-MOPGFXCFSA-N 495.584 2.440 30 10 JEEE CCS(=O)(=O)NCCn1c(Cc2ccncc2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1747446317 GLAMFGGTHGEXAS-UHFFFAOYSA-N 477.594 2.369 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 1748671177 GRGBQLZSFIZXKD-FZKCQIBNSA-N 463.526 2.363 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CC1(N(C)C)CCC1)[C@H]1CCS(=O)(=O)C1 1748809195 KLFZJCMCSQYXIF-KRWDZBQOSA-N 463.007 2.105 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC[C@@H]1CCO[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1748815281 OFJZVXZCAYWZDB-NMLBUPMWSA-N 450.605 2.352 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H](C)N(C)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1748823870 DHIFLFPYHAIGRO-KSEOMHKRSA-N 471.627 2.277 30 10 JEEE C#CCN(c1nnc(COc2ccccc2CC)n1CC[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1748824239 LZLGAOZDUZLUMO-TZIWHRDSSA-N 472.611 2.473 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1C[C@@H]1C[C@@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1748886676 LGNWOHMFOSPPBJ-SVFBPWRDSA-N 477.569 2.222 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1CCN(C(=O)OC)CC1 1748915153 VKFRLCAWOFJYAS-UHFFFAOYSA-N 459.572 2.287 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(C)nc4ccccc34)n2CCCN(C)S(=O)(=O)CC)CC1 1748978863 QRJQOJXPJXGNMQ-UHFFFAOYSA-N 495.653 2.229 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc4ccccc4o3)n2CCN(C)CCOC)CC1 1749003435 JSMOJCQIQNWSGD-UHFFFAOYSA-N 464.570 2.235 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@](C)(O)CCC)CC1 1749003755 UVMQBTFTOUKRPJ-HSZRJFAPSA-N 454.531 2.370 30 10 JEEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1749114626 DPTWJIPVPLPMRM-DRMAHVMPSA-N 457.369 2.295 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1749124886 QUKOFBNYIUPBOY-XLSPSMHOSA-N 461.950 2.335 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1CCc2ccccc21 1749158644 JWTHLCYOGRLYJC-QFIPXVFZSA-N 488.658 2.466 30 10 JEEE C=CCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(c2ncccn2)CC1 1749448049 SPJLYHJGBCVPSY-UHFFFAOYSA-N 483.598 2.058 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC2(O)CCS(=O)(=O)CC2)C1 1749699504 AHXWEPIKALQYQA-QGZVFWFLSA-N 497.017 2.328 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC(C(=O)Nc2ccccc2)CC1 1749730644 LYXMPRNAPBLGJD-UHFFFAOYSA-N 481.582 2.191 30 10 JEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(c2ccnn2C)CC1 1749755738 LAXSDEBVRZRKJR-QGZVFWFLSA-N 450.634 2.217 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1CCNC(=O)C(C)(C)C 1751201363 AEGKWPMJQPPSFJ-INIZCTEOSA-N 487.630 2.091 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CCC(=O)N[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1760183225 NWANGWPBHKMIET-GHTZIAJQSA-N 471.627 2.439 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H]1CCCN1CC)[C@H]1CCS(=O)(=O)C1 1760183567 RJVWABLEYKPHEV-YADHBBJMSA-N 498.653 2.258 30 10 JEEE C#CCN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CCCCS1(=O)=O 1760239132 XOXKDJNRQWRMTQ-FGTMMUONSA-N 465.620 2.476 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@@](C)(O)CCC(C)C)CC1 1760272111 ZFKRYJJCLCYZRL-VWLOTQADSA-N 452.603 2.417 30 10 JEEE C#CCSCCn1c(N2CCN3C(=O)N(CC(C)C)C[C@@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1760286071 AZQQWEHYSHUFSM-RDPSFJRHSA-N 490.674 2.267 30 10 JEEE C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C(=O)NCCC)C1)c1ccccc1 1760362287 GFJAIFZQVVWODH-ICSRJNTNSA-N 474.631 2.344 30 10 JEEE C=CCCOCCn1c(-c2ccccc2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1760447155 GGLVETNIXCQBSW-UHFFFAOYSA-N 480.613 2.478 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1760556437 DNQZBHWHBLOOAJ-UHFFFAOYSA-N 489.642 2.173 30 10 JEEE C=CCSCCn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1760568123 YWUYBASXTUNQJQ-UHFFFAOYSA-N 469.659 2.318 30 10 JEEE CCOCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1767728897 FFNYDYFKPYOVAY-YLJYHZDGSA-N 490.630 2.401 30 10 JEEE COc1cc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CC[C@@](F)(C#N)C2)cc(OC)c1OC 1768300483 GMHNIKCPEXSNIA-HSZRJFAPSA-N 481.488 2.441 30 10 JEEE COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCCO[C@H](C)C2)CC1 1769477312 GBVWLDIYKNHBOI-LJQANCHMSA-N 467.574 2.206 30 10 JEEE C=CCOc1ccccc1[C@@H]1C(C(=O)N2CCN(C(C)=O)CC2)=C(N)Oc2c1c(C)nn2CC 1865224128 KHLMKNKUDBPGFN-NRFANRHFSA-N 465.554 2.162 30 10 JEEE C=CCn1cc(OCC(=O)N=c2nc3nc(C)cc(C)n3[nH]2)c(=O)cc1CNc1cccc(OC)c1 1870852540 GZWFNYMXVLVBDX-UHFFFAOYSA-N 489.536 2.149 30 10 JEEE COc1cc(/C=N/Nc2cnn([C@H]3CCS(=O)(=O)C3)c(=O)c2Cl)cc(Br)c1O 1873528756 GRLNCZAVEGRJOY-PODRTGRWSA-N 491.751 2.179 30 10 JEEE CC(C)(C)OC(=O)N1CC(O)([C@H](F)C(=O)N2CC[C@H]3C[C@]3(B3OC(C)(C)C(C)(C)O3)C2)C1 1879729898 HGYFEGGZZZALKK-ZSDSOXJFSA-N 454.348 2.391 30 10 JEEE CC(C)N1C(=O)CS[C@H](C(=O)N2CC[C@@H](Oc3cnccn3)C2)[C@@H]1c1ccc(C#N)cc1 1891291245 TVPWAVGDPLJJAS-COPCDDAFSA-N 451.552 2.422 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)OC(C)(C)C1 2180980890 NLGHOTFOBDHOSF-OAHLLOKOSA-N 462.356 2.129 30 10 JEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCCNOCc1ccccc1 2247875840 DBWAHJAPRXHDEW-UHFFFAOYSA-N 452.407 2.355 30 10 JEEE C[C@@H](CNC(=O)OC(C)(C)C)CNS(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2255754089 YWHJQJFKBIJHRY-HNNXBMFYSA-N 454.398 2.425 30 10 JEEE CN(Cc1sccc1B1OC(C)(C)C(C)(C)O1)C(=O)C1(NC(=O)OC(C)(C)C)COC1 2256677328 WIPAZWIHRLPSBZ-UHFFFAOYSA-N 452.382 2.299 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2csc(B3OC(C)(C)C(C)(C)O3)c2)[C@@H](CO)C1 2267290052 YDCQHTYGBGYGIF-CVEARBPZSA-N 466.409 2.395 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H]1NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2267363609 LKRJNCDHMLGUCJ-IRXDYDNUSA-N 470.372 2.459 30 10 JEEE Cc1nc(C(=O)N2CC[C@@H](C)[C@H](NC(=O)C(F)(F)F)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2267480787 FQPGBVHQLXPNIQ-ZYHUDNBSSA-N 461.315 2.280 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C(F)(F)C1 2267529647 NTAMWHLRIRQOHR-CYBMUJFWSA-N 456.299 2.083 30 10 JEEE C[C@@H]1CN(Cc2ccccc2)C[C@H]1NS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2267715295 VTRFIHNHEQVEQZ-DYESRHJHSA-N 457.405 2.180 30 10 JEEE C[C@@H]1COC[C@H](C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)N1C(=O)OC(C)(C)C 2268648366 YHPIMFVAUFZDEJ-UKRRQHHQSA-N 467.397 2.083 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]1CNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2271977491 XVAJKTOPJUCHNQ-ZIAGYGMSSA-N 487.453 2.165 30 10 JEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CCNc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)C1 2280786010 TWPUOJUKJYCRAI-KRWDZBQOSA-N 481.424 2.217 30 10 JEEE Cc1c(C(=O)N2CC[C@H](C)N(C(=O)OC(C)(C)C)CC2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281805546 AJYVBONRFACSDW-HNNXBMFYSA-N 462.400 2.499 30 10 JEEE Cc1c(C(=O)N2C[C@@H]3CC[C@H](C2)N3C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281978598 GEPSYCPPUOCPCC-IYBDPMFKSA-N 460.384 2.252 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@H](CCNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2282180106 QIDVORAEYHLABD-KRWDZBQOSA-N 461.368 2.137 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)CCCO1 2282183623 IUYZHJCZBMKISJ-KRWDZBQOSA-N 461.368 2.137 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@]2(NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)c(F)c2)C1 2282326210 PDJKVDDDWBCFLR-RCDICMHDSA-N 482.383 2.413 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC3(CC(NC(=O)OC(C)(C)C)C3)C2)n1 2282592174 ZRNUXDAEYPRLCS-UHFFFAOYSA-N 460.384 2.332 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N2Cc3ccc(B4OC(C)(C)C(C)(C)O4)cc3C2)C1 2283951271 VFSRKOZCDQEXKL-LJQANCHMSA-N 458.364 2.464 30 10 JEEE CC(C)(C)OC(=O)Nc1cnn(C(C)(C)C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)c1 2284067736 RPMQUKKFEUMAMF-UHFFFAOYSA-N 478.384 2.177 30 10 JEEE Cc1nc(NC(=O)[C@@H]2C[C@H](NC(=O)OC(C)(C)C)CCO2)ncc1B1OC(C)(C)C(C)(C)O1 2284136985 IYUZQXFTABOTLL-ZBFHGGJFSA-N 462.356 2.095 30 10 JEEE CC1(C)OB(c2ccc(C(=O)NCCN(CC(=O)O)Cc3ccccc3)c(O)c2)OC1(C)C 2284469895 QJCHSSRNYAPNRU-UHFFFAOYSA-N 454.332 2.008 30 10 JEEE COc1cc(C=Nn2c(S)nnc2CNC(C)=O)ccc1OCC(=O)Nc1ccccc1 2321943116 ZAQFUDFTAVCXKK-UHFFFAOYSA-N 454.512 2.111 30 10 JEEE CCOc1ccc(C=CC(=O)[C@@H]2CNCC[C@H]2NC(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)cc1 2328155866 VINNHEZUQXLIFA-JJEOQYAHSA-N 475.545 2.447 30 10 JEEE C=CCNC(=O)NS(=O)(=O)c1ccc(CCNC(=O)C=Cc2ccc(OC)c(OC)c2)cc1 2330447977 GBYLSLMMXXUGGO-UHFFFAOYSA-N 473.551 2.250 30 10 JEEE CN1C[C@H](C(=O)N2CC[C@@](C)(B3OC(C)(C)C(C)(C)O3)C2)N(C(=O)OC(C)(C)C)CC1=O 2342471867 BTDXMPUHQFZVDL-IVZQSRNASA-N 451.373 2.149 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2S(C)(=O)=O)n1 2362154321 RPMTWBVYXNYHIM-DLBZAZTESA-N 481.424 2.134 30 10 JEEE CC[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2362348235 ONMJOPXOMCQIJL-HOTGVXAUSA-N 462.400 2.485 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@@]2(CNC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C1 2362566160 FOXFTFDIFLENIT-FPTDNZKUSA-N 479.408 2.198 30 10 JEEE C=CCn1c(SCC(=O)N2CCN(Cc3nnc(C)o3)CC2)nnc1-c1cccc(OC)c1 59808120 JETDQMPCAWVMNL-UHFFFAOYSA-N 469.571 2.268 30 10 JEEE N#Cc1ccc(C(=O)N2CCN(C(=O)c3nnn4c3CO[C@H](c3ccc(F)cc3)C4)CC2)cc1 97137769 RFFMJVPDWWJDHX-NRFANRHFSA-N 460.469 2.159 30 10 JEEE N#C[C@H](C(=O)CCNC(=O)/C=C\c1ccco1)c1nnc(N2CCOCC2)n1-c1ccccc1 97210943 RDHZZNNVQUJAQY-ZTBDEIDFSA-N 460.494 2.093 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)C[S@@](=O)CC(=O)Nc2nnc(C(C)C)s2)nc1C 586303921 POUDWPLUSVKYJH-SSEXGKCCSA-N 471.586 2.095 30 10 JEEE COc1ccc(NC(=O)C[S@@](=O)CC(=O)Nc2sc3c(c2C#N)CCC3)c([N+](=O)[O-])c1 586332931 SVMYSAMPEDELBJ-WJOKGBTCSA-N 462.509 2.351 30 10 JEEE C[C@@H](NC(=O)CSc1nnc(NN=Cc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1N)c1ccccc1 1084585239 GMBNABZLKOCGFM-GFCCVEGCSA-N 485.486 2.224 30 10 JEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1c[nH]c(C(=O)N2CCCC2)c1 1138054551 CBWFZVTWTICSPJ-KRWDZBQOSA-N 457.556 2.487 30 10 JEEE C#CCN(C(=O)c1cccc([C@@]2(C)NC(=O)NC2=O)c1)C1CCN(C(=O)OC(C)(C)C)CC1 1155367745 VUKUKXXEUUXPJO-XMMPIXPASA-N 454.527 2.216 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)c1ccccc1F 1286296251 NLWYAGGDDNGZAD-LPHOPBHVSA-N 463.579 2.186 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCCCO2)c1 1286308056 FBBNVSQHCHNZMQ-FQEVSTJZSA-N 450.543 2.139 30 10 JEEE C#CCCCCn1c(-c2cnccn2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1286321231 LEPSYTXHHSBDEA-LJQANCHMSA-N 450.591 2.108 30 10 JEEE C#CCCCCn1c([C@@H]2CCOC2)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1286325512 YQIRNBWFCPXVBK-HXUWFJFHSA-N 457.600 2.405 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H](C)Oc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1286390911 AOLRUOKBKITNAR-UYAOXDASSA-N 483.569 2.497 30 10 JEEE C#CCN(c1nnc(Cc2c[nH]c3ccccc23)n1C[C@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1286394171 VBZSSEHBDJWJQB-FDDCHVKYSA-N 455.584 2.138 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCCCN1CC 1286401662 PSZBGFICEUWFOY-OAQYLSRUSA-N 468.627 2.143 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccnc(N2CCCCC2)c1 1286460246 BTJCBQMIVCUKCU-UHFFFAOYSA-N 474.569 2.445 30 10 JEEE C#CCN1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CCOCCC(C)C)CC1 1286472352 GZRZHNZVHQQXIU-UHFFFAOYSA-N 487.674 2.365 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCc2ccc(NC(C)=O)cc2)CC1 1286472505 IVSKCAVXKXLBLA-AREMUKBSSA-N 480.613 2.275 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2Cc2nncn2CC)CC1 1286488484 ZAAMIHILVIRPRT-UHFFFAOYSA-N 452.950 2.224 30 10 JEEE C#CCSCCn1c(C(C)C)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1286495597 ASOBTMFRWUGKIN-UHFFFAOYSA-N 451.593 2.418 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCSCC(F)(F)F 1286580798 BQAQHQFKCFUZBT-CQSZACIVSA-N 471.571 2.309 30 10 JEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cc(COC(C)(C)C)on2)CC1 1286638116 UYSJGANVOAXWNE-OAHLLOKOSA-N 452.581 2.396 30 10 JEEE C=CCCOCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1286712817 LNILRAYWCDHIJL-QFIPXVFZSA-N 488.583 2.483 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC[C@@H](O)C1 1286749762 YPQKEXDEPYPJMD-NSHGMRRFSA-N 495.671 2.416 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)C1[C@@H]2CCC[C@@H]12 1286815183 NXMKBMNIAHAYPJ-RTBURBONSA-N 493.655 2.031 30 10 JEEE C[C@H](C#N)CN(C)c1nnc(COc2ccc(Br)cc2)n1C[C@@]1(O)CCN(C)C1 1286969307 FTLLNPUVPARKCH-FOIQADDNSA-N 463.380 2.282 30 10 JEEE CC(C)CN1CCC[C@@H](Cn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@H](C#N)C2)C1 1287739837 BHSZAOKFKKXJGJ-RTBURBONSA-N 471.631 2.366 30 10 JEEE C[C@@H]1CCCN1CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1291136679 BLVDCPXTNDASPZ-TZIWHRDSSA-N 485.658 2.409 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccccc2Br)n1CCS(=O)(=O)NC(C)C 1300526439 FWPMLAQAYBZPLD-UHFFFAOYSA-N 464.389 2.108 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1300579866 YPMLKYVDFVGSKB-LJQANCHMSA-N 492.502 2.122 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@](C)(O)C1CC1 1300663786 ISNDCOLXLWIEQP-RUZDIDTESA-N 464.570 2.483 30 10 JEEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCC1CCOCC1 1300664928 VYVQVQJBRAGZAR-UHFFFAOYSA-N 460.604 2.141 30 10 JEEE C=C(Br)Cn1c(-c2ccccc2F)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1300837339 MLKTUXUCOAVTKE-UHFFFAOYSA-N 491.365 2.264 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1300892852 VWOJLZOBDIXQFR-PWWKTKHKSA-N 483.613 2.394 30 10 JEEE C[C@@](NCC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)(C(N)=O)c1cccc(Cl)c1 1307546101 FTETVQFEVAIYDW-OFNKIYASSA-N 457.937 2.178 30 10 JEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1358922562 JLEMBLSPDWZGCE-LJQANCHMSA-N 481.626 2.411 30 10 JEEE C#CCCCn1c(N2CCN(CC(=O)NC3CCCCC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1358936151 FBOLCKCUDBGHGT-SANMLTNESA-N 486.661 2.303 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCCCO2)n1CC1(N2CCOCC2)CC(OCC)C1 1358993011 CNTGFVABVBKJDC-SMCIBBBJSA-N 455.603 2.253 30 10 JEEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCNC(=O)c1occc1C 1359004821 KYAGGRDMWMPFOU-UHFFFAOYSA-N 459.514 2.102 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H](C)c1ccc(OC)cc1 1359010579 UCYKVBCFAWAFIY-RXVVDRJESA-N 475.615 2.273 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCN2CCSCC2)CC1 1359038719 HQTJJWKDQZCKJV-UHFFFAOYSA-N 454.644 2.278 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCCOC2CCCCC2)CC1 1359047018 NTOCNSNIGRSVMV-UHFFFAOYSA-N 470.618 2.106 30 10 JEEE C#CCSCCn1c(COc2ccc(C)cc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1359060883 KEMOFCJAIZYRIG-UHFFFAOYSA-N 482.654 2.276 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1CCCNC(=O)c1cccc(O)c1 1359062266 BIRMCQSOQNNIPM-XMMPIXPASA-N 450.543 2.032 30 10 JEEE C=C(Br)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC(C)(OC)C1 1359078405 BBSCDRXKGPXUSJ-UHFFFAOYSA-N 470.393 2.329 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccc2OC)nnc1N1CCC(NS(C)(=O)=O)CC1 1359094602 CSUKJHRMAWZVKU-LAUBAEHRSA-N 475.615 2.453 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1359292435 PBHRCSWPVIQESA-YTQUADARSA-N 455.515 2.451 30 10 JEEE C#CCN1CCN(C(=O)c2nnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2C(F)F)CC1 1454529858 GGNSLJXBPRUFAD-UHFFFAOYSA-N 452.506 2.179 30 10 JEEE CS(=O)(=O)CC[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCc1ccc(C#N)c(F)c1 1469014720 BZYDLRJDGKLZCL-SFHVURJKSA-N 451.907 2.200 30 10 JEEE CNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(Cc2cc(C)no2)CC1 1503694395 FKCGUXRGOFKJAV-UHFFFAOYSA-N 462.558 2.208 30 10 JEEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@](C)(O)c2ccco2)C[C@@H](C)O1 1504733321 BXOGPGMVJNWOCJ-VWQFJMCTSA-N 467.526 2.470 30 10 JEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(=O)c2cccc(F)c2)CC1 1507557905 UQEHEPMWCZJPPI-GOSISDBHSA-N 490.605 2.183 30 10 JEEE C#CCCCn1c(Cc2c(F)cccc2F)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1507592048 VEEGPBNPINCSIA-QGZVFWFLSA-N 456.541 2.350 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1507624882 FIDAKLMKMHNTJM-REWPJTCUSA-N 476.574 2.133 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCN1CCCCCC1)[C@H]1CCS(=O)(=O)C1 1507627616 KTEVQIWFDFUOOT-NRFANRHFSA-N 471.627 2.456 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CCCCS1(=O)=O 1507714776 WAYIUHLJLJAJJQ-GUDVDZBRSA-N 452.621 2.250 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CC[C@@H](C)N(C)Cc2ccccc2)CC1 1507716693 SYMCTNKHTIRPIB-OAQYLSRUSA-N 451.619 2.082 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(C(N)=O)cc2)CC1 1507734971 GBBRRIHBVWAHSP-UHFFFAOYSA-N 477.956 2.107 30 10 JEEE C=C(Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@H](C)C1)c1ccccc1 1507851176 HIXUDHXIQWLHQP-IEBWSBKVSA-N 463.629 2.266 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCN(C)[C@@H]1c1cccs1 1507980653 HPFARYUMLQRCBQ-HBFSDRIKSA-N 494.687 2.378 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC=CCO1 1508003267 WJSTXPKQCBRWIT-SFTDATJTSA-N 473.599 2.149 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCc2ccc(Cl)cc2C1 1508131295 LCVAHZDJUKNLSP-UHFFFAOYSA-N 451.980 2.233 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)CC(C)(C)C 1508135711 OEFMYZCCEOLNPS-UHFFFAOYSA-N 483.660 2.279 30 10 JEEE CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2nc(C)c(C)s2)CC1 1515989481 AVOCBXLTXCYPNX-UHFFFAOYSA-N 478.626 2.391 30 10 JEEE CCS(=O)(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCSC2)CC1 1516774993 FSGRAXRIMLHNIV-OAQYLSRUSA-N 461.613 2.088 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(COCC(F)(F)F)c1 1538971693 HTKPCMKSTYILIV-HUUCEWRRSA-N 473.521 2.473 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CC[C@@H](C(F)F)N1CCOCC1 1539003469 DEFJEPHWVWNXSK-QAPCUYQASA-N 471.512 2.408 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccccc1OC)N1CCCC1 1539013504 IUSGUCOGKZFUQH-QKNQBKEWSA-N 471.627 2.484 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C(F)(F)F)cc1C 1539014535 MAXQMCWCGZNVRS-MAUKXSAKSA-N 485.532 2.444 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2Cc2ccc(OC)nc2OC)c1 1539040133 NFCNWKXTBDDZPR-UHFFFAOYSA-N 486.536 2.195 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3CC)n2C[C@@H](C)N2CCN(CC)CC2)CC1 1539461463 GJIQVHJTMFRJQR-HSZRJFAPSA-N 479.673 2.201 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCCC2CCOCC2)CC1 1539489355 LPZHMBIHGXERLE-VXKWHMMOSA-N 473.618 2.175 30 10 JEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](c2ccccc2OC)C1 1539498000 PMRHAXRORWQIGL-IRXDYDNUSA-N 463.629 2.257 30 10 JEEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CCOC2(CCOCC2)C1 1539758923 UUXITJNYUAWGAR-UHFFFAOYSA-N 461.588 2.248 30 10 JEEE C=CCN(c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCOC[C@H]1C)C1CC1 1540108064 GRVLFJWCFXTGJS-UYAOXDASSA-N 476.622 2.462 30 10 JEEE C=CCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1540856408 VPCTWQQKAZGIAD-MRXNPFEDSA-N 452.519 2.070 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 1540873349 VYPFHKCOCCMCJC-UHFFFAOYSA-N 469.590 2.307 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC(S(C)(=O)=O)CC2)nnc1C1(c2ccccc2)CCC1 1540876320 NPFMWVRFBJUGPP-UHFFFAOYSA-N 457.600 2.064 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CC[C@](O)(c2ccc(F)cc2)C1 1540903367 CEELRSJYJLDQTI-HSZRJFAPSA-N 471.558 2.102 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1540907082 LANCFGGUTIGKSY-OAQYLSRUSA-N 486.598 2.078 30 10 JEEE C[C@H](C#N)CN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCCS(C)(=O)=O 1541115799 FNZRTLFWYYTQES-MRXNPFEDSA-N 468.624 2.423 30 10 JEEE Cc1ccsc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(C#N)C1 1542110111 BQAWBXKPNWGMRD-UZLBHIALSA-N 464.617 2.159 30 10 JEEE C[C@@H]1OCC[C@@]1(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1545145162 CGKFOLXEZXZPNU-BXKMTCNYSA-N 452.559 2.051 30 10 JEEE CCCS(=O)(=O)N1CC2(CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)C[C@@H]1C(N)=O 1548380428 YXYFDYSKFAMGRU-QGZVFWFLSA-N 458.506 2.463 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(C(=O)NCC)CCC1 1587639463 LWUAJBRUEUTAKL-ZWKOTPCHSA-N 474.606 2.351 30 10 JEEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1cccc(OC)c1)N1CCCC1 1587989729 NWTIEQNIVHRMAW-CTNGQTDRSA-N 457.600 2.095 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1cc(Br)ccc1F 1588138512 DYDLQVPBQNDELH-INIZCTEOSA-N 479.375 2.397 30 10 JEEE C#CCN(CC#CC)c1nnc(Cc2ccccc2F)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1588238201 LSWMHLASTLUNDJ-HSZRJFAPSA-N 464.589 2.414 30 10 JEEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2CCC(=O)N2CCCCCC2)CC1 1588864380 DFGAHHMYFOWARK-UHFFFAOYSA-N 464.614 2.448 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCc2cc(C(F)(F)F)ccn2)CC1 1588876547 CMCZJGGLHCGLFU-PXNSSMCTSA-N 478.519 2.414 30 10 JEEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1589089321 PZVIONQCFPESKX-UHFFFAOYSA-N 453.616 2.358 30 10 JEEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(Cn2cccn2)CC1 1595334898 IKPBFRKKHIDOAY-UHFFFAOYSA-N 455.588 2.495 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)Cc1cnc(C(C)C)nc1 1595537362 QDPBVRJCXLNDED-UHFFFAOYSA-N 487.568 2.044 30 10 JEEE C=CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1595878651 QSBCRMYEQTUDKI-LJQANCHMSA-N 473.647 2.471 30 10 JEEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)CC(=O)N1CCC(C(=O)OCC)CC1 1611051577 OROLYFMZTDVBKQ-GOSISDBHSA-N 453.580 2.496 30 10 JEEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2C[C@@H](O)[C@@H](CO)C2)c1 1637678136 IGNLWZOAGVEBHJ-FOIQADDNSA-N 450.944 2.147 30 10 JEEE CC(C)(C)OC(=O)NC1(CNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CCCC1 1641100066 BMAZBLOYLWXKHG-UHFFFAOYSA-N 450.561 2.069 30 10 JEEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)Cc2ncsc2Br)[C@H](C#N)C1 1667781273 QBHYSLKLHFIBCR-SNVBAGLBSA-N 451.368 2.180 30 10 JEEE C#CCCCCn1c([C@H]2CCOC2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1689893129 UYTFOWPYGUTXOH-BDTNDASRSA-N 456.635 2.212 30 10 JEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cnn(Cc2ccccc2)c1 1689929897 GSCFVIRVRKUYAA-NRFANRHFSA-N 452.584 2.475 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CC(C)(C)CN(C)C)[C@H]1CCS(=O)(=O)C1 1689982353 LGJSJWHCDCRNMN-FQEVSTJZSA-N 454.600 2.031 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CC[C@@H](OC)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1689984044 KDMQLJPLGBDJLD-GOEBONIOSA-N 460.478 2.441 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@@H]1CCCCN1CC)[C@@H]1CCS(=O)(=O)C1 1689985832 CIOCRDSSBVVJDN-VQTJNVASSA-N 471.627 2.455 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1cccc(C(C)(C)O)c1)[C@@H]1CCS(=O)(=O)C1 1689990395 NUZUNUUDERRRDD-TZIWHRDSSA-N 472.611 2.075 30 10 JEEE C#CCN(c1nnc(CC)n1C[C@@H](c1cccc(OC)c1)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1689992456 LAHORXOEUQNXMQ-IRLDBZIGSA-N 471.627 2.313 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H](CC)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1689998480 NHAYWWANCLUVQP-FGTMMUONSA-N 481.619 2.060 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(Br)s2)n1CC1(C(N)=O)CCOCC1 1690006215 KGNIMDQBJJQQDG-UHFFFAOYSA-N 462.373 2.124 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CC1(S(C)(=O)=O)CC1 1690008296 CTCMCDWCAPWIDW-UHFFFAOYSA-N 456.568 2.391 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CCC[C@H]1C 1690103844 HRVOOPOEMPMAFM-YDIMBITNSA-N 477.606 2.224 30 10 JEEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC(N2CCNC2=O)CC1 1690159961 RQILZAAQJAFMSV-UHFFFAOYSA-N 470.599 2.323 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)NCc2ccccc2)CC1 1690430169 FADCWMFHILPUGB-OAQYLSRUSA-N 479.629 2.270 30 10 JEEE C=CC[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)NC)CC1)c1ccccc1 1690442217 OIHQJZLSCYSPHI-FQEVSTJZSA-N 451.575 2.335 30 10 JEEE C=CCn1c(COc2ccc(Br)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1690649650 HTZALTRCUXFJKT-KRWDZBQOSA-N 450.337 2.147 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@H]1c1cnn(C)c1 1690662224 VIPDEUJTWJYHTJ-FQEVSTJZSA-N 451.531 2.340 30 10 JEEE C=CCNC(=O)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC(S(=O)(=O)CC)CC1 1690673783 DPSWOOHPNCONKC-UHFFFAOYSA-N 470.599 2.056 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3noc4c3COCC4)n2CCS(=O)(=O)C(C)(C)C)C1 1690697592 YLVTYACDOJHXIN-HNNXBMFYSA-N 465.576 2.000 30 10 JEEE C=CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1690744876 UFJGPGKKIMPVFU-GOSISDBHSA-N 475.619 2.148 30 10 JEEE C[C@H](c1nccs1)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(C)(=O)=O)CC1 1692663050 CMNLBIPLBNNYTH-MRXNPFEDSA-N 471.612 2.201 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1C[C@@]1(O)CCN(C)C1 1694328619 DRBNEWHSBKDFBY-AREMUKBSSA-N 495.628 2.183 30 10 JEEE CN(C)CC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1696612272 APHYCVJKCKLPDT-UHFFFAOYSA-N 479.629 2.480 30 10 JEEE C#CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(S(=O)(=O)CC)CC1 1705515231 XMRKNCAOCPJXLM-UHFFFAOYSA-N 492.671 2.445 30 10 JEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 1705517519 XIUQFTRTAUOHHN-MOPGFXCFSA-N 450.605 2.006 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1CCc1ccc(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1705559449 ATJSTMMOSYTZKR-GOSISDBHSA-N 460.600 2.462 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCCC(=O)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1705563365 WDAUMGDZYVNUSO-GOSISDBHSA-N 461.588 2.122 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CC[S@](=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1705567895 BVWKRZAAWIPTSQ-CVCYQNGTSA-N 496.630 2.170 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOc1cccc(C(F)(F)F)n1 1705598291 GDLMQLHNJKYBAT-MRXNPFEDSA-N 481.500 2.136 30 10 JEEE C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)CCC 1705687290 CMHRNJCCXAWVQB-HIFRSBDPSA-N 464.430 2.392 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 1705899176 KBYXKQFDYNLWFO-KRWDZBQOSA-N 482.585 2.353 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCCC[C@H](C)C1 1705934580 QCVJFOOFBIDWIU-KRWDZBQOSA-N 470.599 2.419 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(OC)cc2)nnc1N1CC[C@@]2(CCOC2)C1 1705938111 NCHLVGHKPMMBNX-JOCHJYFZSA-N 462.572 2.083 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCC(=O)N(CC)CC 1722295490 WILYMTTZAZLPKR-KRWDZBQOSA-N 459.620 2.345 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CC(C)(C)COC)[C@@H]1CCS(=O)(=O)C1 1722369986 JQRCAYLMPPCWTM-LJQANCHMSA-N 460.600 2.465 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1722453571 YEUOFRIYZXCXBW-HNNXBMFYSA-N 467.521 2.365 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(C)nc3ccccc23)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1722689302 RKPLHZPYFNTGMX-IBGZPJMESA-N 461.570 2.409 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H]2CCCOC2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1722707562 SGQXKAHIRKIXGQ-AZUAARDMSA-N 475.615 2.255 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2c(C)cccc2C)C1 1722719580 WOJWVZXSCAVGTI-IRLDBZIGSA-N 489.642 2.252 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC(C(=O)OC)CC1 1722724868 IMJLXOMGJJIKSW-UHFFFAOYSA-N 489.598 2.137 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCN1Cc1ccccc1 1722862841 FNVPUXSBXGALLV-WSTZPKSXSA-N 459.620 2.149 30 10 JEEE CCCOc1ncccc1Cn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)N1CCOCC1 1728226846 AYJIWTBCKXOHKO-UHFFFAOYSA-N 475.553 2.344 30 10 JEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1c(CC)nn(C)c1CC 1740607386 ONSPCNACLDRQAU-UHFFFAOYSA-N 454.604 2.214 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@](C)(OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1740618203 DZLRRPYGAXVJCM-KNQAVFIVSA-N 473.555 2.295 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@](C)(O)c1cc(C)oc1C)[C@H]1CCS(=O)(=O)C1 1740620182 CDHJVBNLWOTMSD-JTSKRJEESA-N 457.556 2.017 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1c(F)cc(F)c(F)c1F)[C@H]1CCS(=O)(=O)C1 1740624409 GPHBJLQOHGHMPL-HNNXBMFYSA-N 493.486 2.495 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CN(CC(C)C)CCO1 1740632629 MTLLAVGZKNQQRT-IBGZPJMESA-N 473.419 2.476 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(NC(=O)c2ccco2)cc1 1740684635 XFXKVYRECLPAFU-LJQANCHMSA-N 462.510 2.209 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCCCN2CCC[C@@H](C)C2)CC1 1740692681 ODAKQTPXXCYLJM-RCZVLFRGSA-N 458.651 2.198 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H](C)Oc2ccc(F)cc2)CC1 1740692984 SBIZOUYVYXSVNX-CYFREDJKSA-N 457.550 2.292 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCc2ccccc2OC)CC1 1740705189 CNVMWGDCMDJZJL-OAQYLSRUSA-N 451.571 2.389 30 10 JEEE C#CCSCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(CCOC)C(=O)C1 1740713838 RZWFGDWWJJOZFV-UHFFFAOYSA-N 451.955 2.399 30 10 JEEE C=CC[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cnn(C)c2)CC1)c1ccccc1 1740856140 ZIRICSXFFQNVGN-FPOVZHCZSA-N 498.657 2.308 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCS(C)(=O)=O)C1 1740980943 TVILUEMIXKWJGG-QZTJIDSGSA-N 483.635 2.219 30 10 JEEE CC(C)NS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@](F)(C#N)C1 1741710513 CQMVUONGLIZIIR-IBGZPJMESA-N 454.959 2.292 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3noc4c3COCC4)n2C[C@H](C)COC)c1 1748692053 CIDMAKIEKPCIIH-INIZCTEOSA-N 464.526 2.345 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H]1CC(F)(F)CO1)[C@H]1CCS(=O)(=O)C1 1748808023 GGDNEPXEMUYYRH-QFBILLFUSA-N 496.536 2.013 30 10 JEEE C#CCN(c1nnc(-c2nnc(O)c3ccccc23)n1C/C=C\CC)[C@@H]1CCS(=O)(=O)C1 1748814810 JFXCHYBWUMSGDZ-KQQSKNTNSA-N 452.540 2.187 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC[C@@]1(O)C[C@H]2CC[C@H]1C2 1748831687 UDWNNFFWOAVZLO-QYXIYQDXSA-N 481.622 2.209 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCc2c[nH]c3cc(F)ccc23)CC1 1749001516 VDNSWYHXDBBWKI-UHFFFAOYSA-N 479.560 2.245 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2CCO[C@H]2C(C)C)CC1 1749020373 QVRCJATVXBEQPU-CMOCDZPBSA-N 473.618 2.029 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCS(=O)(=O)CC 1749056170 CLEXXMHRYYBLEY-JOCHJYFZSA-N 462.572 2.398 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2CN(C(=O)OC(C)(C)C)C2)CC1 1749342545 IJZWVHBLSAGCGH-SFHVURJKSA-N 465.620 2.450 30 10 JEEE C=CCN(CCOC)c1nnc(-c2ccccc2Br)n1C[C@@]1(O)CCN(C)C1 1749595668 DNGQCCSZARSIAD-HXUWFJFHSA-N 450.381 2.413 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@@H](C)CC[C@H]1C 1749726783 DPXVFJXKIGWRMM-DLBZAZTESA-N 456.576 2.146 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](COC)C1 1749732319 VOEDAJJRKZUFRK-MOPGFXCFSA-N 497.662 2.466 30 10 JEEE N#Cc1ccc(OCc2nnc(N3CCS(=O)CC3)n2C[C@@H]2CCN(CC(F)(F)F)C2)cc1 1750384441 ACVNIYDGHGOWRE-QGZVFWFLSA-N 482.532 2.182 30 10 JEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1Cc1cccn(CC)c1=O)[C@H]1CCS(=O)(=O)C1 1760181204 QZISGGREBAYZDU-FQEVSTJZSA-N 485.997 2.455 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H](C(C)C)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1760186956 BKPVIUIBVRLDQJ-RTWAWAEBSA-N 456.616 2.087 30 10 JEEE C#CCN(c1nnc(COCC)n1Cc1c(F)cccc1OC(F)F)[C@H]1CCS(=O)(=O)C1 1760193390 YTKCZYPNDCKXHS-AWEZNQCLSA-N 472.489 2.230 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(Br)c2)n1CCNS(=O)(=O)Cc1ccon1 1760226256 PXAPVMCMURPRDB-UHFFFAOYSA-N 493.387 2.275 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CC(C)(C)C(=O)NCC)CC1 1760264335 IYUFRGGAUPIEHU-UHFFFAOYSA-N 452.603 2.391 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCCc2nc(C)no2)CC1 1760266573 DTHCSFKXXBHWRN-UHFFFAOYSA-N 493.568 2.252 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2CCS(=O)(=O)c2ccccc2)CC1 1760270383 WDXXPZZCDJXDAE-UHFFFAOYSA-N 469.611 2.375 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CCCCn2ccnc2C)CC1 1760271655 FSXGHGJTIPQWCA-UHFFFAOYSA-N 460.586 2.215 30 10 JEEE C=C(Br)Cn1c(-c2cnccn2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1760305661 MSHHNIBXFNCLTP-CABCVRRESA-N 464.368 2.011 30 10 JEEE C=C(Br)Cn1c(N2CCN(C[C@@H]3CCCO3)CC2)nnc1[C@@]1(OCC)CCOC1 1760313431 ALHCRIDAPILALD-FXAWDEMLSA-N 470.412 2.140 30 10 JEEE C=C(C)COCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1760352782 YBQNKDXSKMQHTQ-IBGZPJMESA-N 496.033 2.468 30 10 JEEE C=CCCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(C(=O)COC)CC1 1760421848 CAOZIEQBGLIMCH-UHFFFAOYSA-N 489.646 2.198 30 10 JEEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCN1CCOC1=O 1760463690 MJYJHUDIDUHIFX-MRXNPFEDSA-N 450.540 2.051 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(O)(c2c(F)cccc2F)CC1 1760524039 NYWDAXJBOPGDPZ-MRXNPFEDSA-N 461.513 2.241 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(c2cc(F)cc(F)c2)CC1 1760525502 HXXOCVMMEBGMOE-UHFFFAOYSA-N 453.497 2.171 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2C[C@](C)(O)[C@H](C)CC)C1 1760537360 MKOMFZYINWZBLL-LLBVYWAGSA-N 452.563 2.499 30 10 JEEE COc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@@H](C)CC#N)cc1Cl 1768671349 GNIMYWFVGZYEKU-KBXCAEBGSA-N 482.994 2.060 30 10 JEEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(N(C)C)CCCC2)CC1 1771149796 HIGYGZFBJLEYCE-UHFFFAOYSA-N 467.618 2.372 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@H]2c2cccc([N+](=O)[O-])c2)cc1OC 1862573945 DGSWEIHEYDABEH-FQEVSTJZSA-N 469.450 2.326 30 10 JEEE CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccc2c(c1)OCCO2 1862610845 VMADEPRXCBIYTQ-QFIPXVFZSA-N 466.490 2.369 30 10 JEEE C=CCOc1ccccc1[C@H]1C(C(=O)NC[C@H](C)O)=C(N)Oc2c1c(C(F)(F)F)nn2C 1864322671 RIVCDTOEXNWDRS-SMDDNHRTSA-N 452.433 2.195 30 10 JEEE O=C([C@H](CSCc1ccccc1)N=C1NS(=O)(=O)c2ccccc21)N1CCC(CO)CC1 1869928081 OZMVQDIESCFXBV-FQEVSTJZSA-N 473.620 2.258 30 10 JEEE CCC[C@@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1869930018 QXFHPPLIYVYDBP-HXUWFJFHSA-N 456.568 2.251 30 10 JEEE C=CCN(CC=C)c1nc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)n([C@@H]2CCS(=O)(=O)C2)n1 1870004841 NLZUCKNQKAEFCL-QGZVFWFLSA-N 485.566 2.215 30 10 JEEE N#Cc1nnn(Cc2ccc([N+](=O)[O-])cc2)c1NC(=O)CN1C(=O)COc2ccc(Cl)cc21 1870112518 ITJWSIJVWXLBIL-UHFFFAOYSA-N 467.829 2.124 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)Nc2ccc(OC)cc2OC)cn1C[C@@H](C)O 1870391484 MEJDADXGSHHCML-GOSISDBHSA-N 471.554 2.438 30 10 JEEE C=CCN(CC=C)c1nc(=NCCN2C(=O)CSC2=O)[nH]c(=Nc2ccc(F)c(F)c2)[nH]1 1871686848 QCGVGICGFMQUDP-UHFFFAOYSA-N 461.498 2.023 30 10 JEEE COc1cccc(S(=O)(=O)NCc2ccc(C(=O)NCCN3CCC(C#N)CC3)cc2)c1 1891706546 YWMSYQKOXDNDKN-UHFFFAOYSA-N 456.568 2.139 30 10 JEEE Cc1nc(I)c(NC(=O)C(C)(C)C#N)c(I)n1 2008827429 TXUUGDUBWNNMAM-UHFFFAOYSA-N 456.025 2.483 30 10 JEEE COC1(C(=O)NCCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CN(C(=O)OC(C)(C)C)C1 2180981806 XNCKNFXZRNAJNO-UHFFFAOYSA-N 460.380 2.280 30 10 JEEE C[C@@H](C(=O)N1C[C@@H]2[C@H](C1)[C@@H]2B1OC(C)(C)C(C)(C)O1)N1CCN(C(=O)OC(C)(C)C)CC1=O 2180986934 IWDSHXYULHATFL-CUSZFKRNSA-N 463.384 2.005 30 10 JEEE C#CCOCCOCCNC(=O)c1cc(I)ccc1Br 2189859681 HWVMXZSAAHOVJF-UHFFFAOYSA-N 452.086 2.450 30 10 JEEE CN1C[C@H](C(=O)N2CC[C@H]3C[C@]3(B3OC(C)(C)C(C)(C)O3)C2)N(C(=O)OC(C)(C)C)CC1=O 2194128254 DFYWKVGLCQECEE-PXAQALGRSA-N 463.384 2.149 30 10 JEEE C#CCC[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 2230862889 QVHFDHUWDUOOKQ-ICBNADEASA-N 465.591 2.273 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NC[C@H]2CO[C@@H](CNC(=O)OC(C)(C)C)C2)C1 2255149304 WLDJLEOZHBPDJY-GBXAEXGJSA-N 451.564 2.339 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NCC2(NC(=O)OC(C)(C)C)CCOCC2)C1 2255151288 QBVVJBFYDCWHHD-UHFFFAOYSA-N 451.564 2.483 30 10 JEEE Cn1cc(C(=O)N[C@H]2CCCN(C(=O)OCc3ccccc3)C2)nc1B1OC(C)(C)C(C)(C)O1 2255650216 OHGSJKGXRUGOCN-SFHVURJKSA-N 468.363 2.250 30 10 JEEE CC(C)(C)OC(=O)N1CC([S@@](C)(=O)=NC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2255812346 NKVXLEBGMMDKET-WJOKGBTCSA-N 471.410 2.300 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)s2)CO1 2256623681 GPJQFETXUAOSMA-STQMWFEESA-N 453.370 2.311 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(Cl)cc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267014489 ZJCJLCUSWAJAPJ-IAGOWNOFSA-N 466.771 2.349 30 10 JEEE C=C(CS(=O)(=O)N1CCO[C@H]2CCN(Cc3ccccc3)C[C@@H]21)B1OC(C)(C)C(C)(C)O1 2267463470 APSSDCHVROXXHH-SFTDATJTSA-N 462.421 2.479 30 10 JEEE Cc1c(B2OC(C)(C)C(C)(C)O2)csc1C(=O)NC[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 2267583957 YZKKRLGQTRPAMD-JOCHJYFZSA-N 466.409 2.457 30 10 JEEE CN(Cc1sccc1B1OC(C)(C)C(C)(C)O1)C(=O)C1(CO)CN(C(=O)OC(C)(C)C)C1 2268640498 XGXRFJIKDOJCOG-UHFFFAOYSA-N 466.409 2.235 30 10 JEEE C[C@H](c1nscc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)C[C@H](O)CNC(=O)OC(C)(C)C 2268641584 BXIRTPSEJQHUMK-KGLIPLIRSA-N 469.413 2.237 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C(=O)Nc3ncc(B4OC(C)(C)C(C)(C)O4)s3)CO[C@H]2C1 2268654964 GJGRUEZRKZKZOA-MCIONIFRSA-N 465.381 2.263 30 10 JEEE C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)ccc1F 2268655294 KDGQHVRXKMVBFZ-DYVFJYSZSA-N 452.332 2.015 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H](C(=O)N=c3nc(B4OC(C)(C)C(C)(C)O4)[nH]s3)C[C@H]2C1 2268670833 YQSPVKGWDMDTMR-BTTYYORXSA-N 464.397 2.091 30 10 JEEE COC1(CNC(=O)c2nc(C)ccc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2282034448 IDPNFUZXCPLKPF-UHFFFAOYSA-N 461.368 2.055 30 10 JEEE Cc1c(B2OC(C)(C)C(C)(C)O2)cccc1C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O 2282111193 QURIKGNINPWSKO-VQIMIIECSA-N 460.380 2.252 30 10 JEEE CCO[C@@H]1C[C@H](NC(=O)OC(C)(C)C)[C@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2282179734 OFYBPNNLMIFFTK-RCCFBDPRSA-N 461.368 2.181 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1COCCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2282411761 KLBBTEMDWAJLHX-MRXNPFEDSA-N 464.343 2.491 30 10 JEEE CCn1cc(C(=O)N2CC[C@]3(CCN3C(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2282536891 ITCMAMZBPHLYTF-QHCPKHFHSA-N 460.384 2.428 30 10 JEEE CC(C)(C)OC(=O)NCCCC[S@](C)(=O)=NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2282625481 VWVWREYUHSVUQX-XIFFEERXSA-N 482.412 2.319 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCCO[C@H]2[C@@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)o1 2282631836 CATHOIMJZIGDPV-OKDNKWQNSA-N 462.352 2.379 30 10 JEEE CO[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)N(C(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2282667220 OZXVINXNIMWIMB-HOTGVXAUSA-N 461.368 2.135 30 10 JEEE CC(C)(C)OC(=O)Nc1cc(CNC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)ccn1 2282698852 FQOSGFXEHBNDLH-UHFFFAOYSA-N 455.324 2.448 30 10 JEEE CN1CCC(N(Cc2ccccc2)S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CC1 2282851729 GGRUWVLXYRTAQR-UHFFFAOYSA-N 474.436 2.004 30 10 JEEE CC1(C)OB(c2cc(C(=O)N[C@@]34C[C@H]3CN(Cc3ccccc3)C4)c(O)cc2O)OC1(C)C 2282913620 VTDWRYVSCQSLBL-SSOJOUAXSA-N 450.344 2.401 30 10 JEEE C[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2CN1C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2283062622 UFUAWTWOPTVVOK-BZUAXINKSA-N 458.368 2.103 30 10 JEEE CC(C)(C)OC(=O)N[C@]1(C(=O)N2CCc3cc(B4OC(C)(C)C(C)(C)O4)ccc32)C[C@H](O)C1 2284051454 OEGBSVKNOXUYAW-SMQSCJQKSA-N 458.364 2.293 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](C(=O)N1Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C1)C(C)(C)O 2284055979 CDKDFIYOJCPJDE-SFHVURJKSA-N 460.380 2.492 30 10 JEEE COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)N[C@@H](COCc1ccccc1)C(=O)O 2284463185 SHHIFHMGUVECTC-IBGZPJMESA-N 455.316 2.394 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCC[C@H](NC(=O)C(F)(F)F)CC2)n1 2286112989 FHHHZPSCGOAPIB-AWEZNQCLSA-N 455.286 2.362 30 10 JEEE COc1ccc(C=C2Oc3cc(OCC(=O)N[C@H](C)C(=O)O)ccc3C2=O)c(OC)c1OC 2297475430 INAPSRNZRWBOPA-GFCCVEGCSA-N 457.435 2.297 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](CNC(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)N2CC[C@H]1C2 2368744287 FOAYNCXUKSHOHH-DLBZAZTESA-N 461.368 2.002 30 10 JEEE C=CCN1C(=O)[C@H](C)Oc2ccc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)cc21 12234190 LATSFGBGEVHALP-INIZCTEOSA-N 471.535 2.260 30 10 JEEE C/C(=N\Nc1nc(SCC(=O)Nc2ccc3c(c2)C(=O)NC3=O)n[nH]1)c1ccc(F)cc1 21081982 XWGZQNLRQDTAHQ-KIBLKLHPSA-N 453.459 2.394 30 10 JEEE CCOC(=O)C#C[C@]1(O)/C(=N/OC)CCN(S(=O)(=O)c2ccc(C)cc2)c2cc(OC)ccc21 32105770 MORJNEFLDIMIFA-ZZIWUOEGSA-N 486.546 2.359 30 10 JEEE COc1ccc(CN(/C(O)=N/S(=O)(=O)c2ccc(C)cc2)[C@H]2CCS(=O)(=O)C2)cc1 39915138 DCBUYODBIDQIJD-KRWDZBQOSA-N 452.554 2.296 30 10 JEEE COCCN(CC#N)C(=O)c1cc(I)cc(I)c1O 701298717 UNCJDNIDEHOWCF-UHFFFAOYSA-N 486.047 2.214 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)O[C@H](C)C(=O)NCc3ccc(CN4CCOCC4)cc3)cc2C1=O 853262008 CBMMKOXOQWIEGD-GOSISDBHSA-N 491.544 2.163 30 10 JEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)OCC(=O)N3CCO[C@@H]4CCCC[C@@H]43)nnc12 918817258 DERXRMIFLRMFNS-RBUKOAKNSA-N 497.577 2.036 30 10 JEEE COc1ccc(O)c(C=NNc2nc(SCC(=O)NCc3ccc(OC)c(OC)c3)n[nH]2)c1 1084040845 XSQQTPBMTOYCQT-UHFFFAOYSA-N 472.527 2.391 30 10 JEEE C=CCOC[C@@H](NC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1C)C(=O)OC 1139176042 QHOULJODYBJUNZ-GOSISDBHSA-N 450.488 2.409 30 10 JEEE C=CCCCS(=O)(=O)N[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 1211748502 CZRJLMVFPITGKP-HNNXBMFYSA-N 451.408 2.488 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC(F)(F)F)cc1 1286296332 OCEVORPQCMLXLD-YOEHRIQHSA-N 487.504 2.016 30 10 JEEE C#CCCCn1c(N2CCC(C(N)=O)(c3ccccc3)CC2)nnc1[C@]1(OCC)CCOC1 1286360304 SDSREVQLFDMDAB-VWLOTQADSA-N 451.571 2.367 30 10 JEEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC2CCCC2)cc1 1286376815 OBNMOHWQCXPVRR-OAQYLSRUSA-N 473.599 2.050 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(c2ccccc2OC)CC1 1286419707 DCASNYXKWQCJPB-GOSISDBHSA-N 455.584 2.092 30 10 JEEE C#CCN(CC#CC)c1nnc(COc2ccccc2OC)n1CCN1CCOC(C)(C)C1 1286434891 XOKTUVKJSPTVJS-UHFFFAOYSA-N 451.571 2.439 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCSCc2ccc(C)cc2)CC1 1286481188 SMSOREBOMGKATG-OAQYLSRUSA-N 473.668 2.177 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H]2CCOC2)CC1 1286486826 PZPKWGFYUQKFOX-IBGZPJMESA-N 464.570 2.150 30 10 JEEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1286500830 ZZCATGRKRJYTOZ-VGOFRKELSA-N 476.624 2.099 30 10 JEEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1286505912 NNMWPLKHNFTBCC-UHFFFAOYSA-N 483.638 2.319 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(CC(=O)NCC)CC1 1286551295 LPGNUYHDDNMXKG-RDPSFJRHSA-N 498.628 2.202 30 10 JEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCN(C(=O)OC(C)(C)C)C2CC2)CC1 1286638238 XKFGZFZCPMUKPS-MRXNPFEDSA-N 468.624 2.444 30 10 JEEE C=CCC(C)(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1286665913 AGJRHXXALMGWPJ-IBGZPJMESA-N 485.618 2.041 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N(C)C[C@@H](C)C(=O)NC 1286778536 CCEBTDOGVJLBJZ-QGZVFWFLSA-N 463.586 2.473 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1286821489 NBYBVSLPBYVYHU-UHFFFAOYSA-N 453.012 2.452 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1286967170 CIALATGWNVEFSQ-OAGGEKHMSA-N 454.597 2.031 30 10 JEEE CCc1nn(C)c(OC)c1Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1292775884 HAKDAANVSUUYJO-OAHLLOKOSA-N 471.587 2.039 30 10 JEEE CCC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1293833651 FPQJUBBCJWCSAG-AVRDEDQJSA-N 461.588 2.293 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1csc(C(C)(C)C)n1 1300311345 SHTUMWXMHPMPJR-WBVHZDCISA-N 480.660 2.066 30 10 JEEE C#CCN(c1nnc(-c2ccc(OCC)c(OC)c2)n1CC1=CCCOC1)[C@@H]1CCS(=O)(=O)C1 1300489929 WESWCSKDHYZACB-HXUWFJFHSA-N 486.594 2.326 30 10 JEEE C#CCN(CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@]1(O)CCS(=O)(=O)C1 1300603429 RFBFJNPLTQCQOB-JOCHJYFZSA-N 471.608 2.386 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H](C)N1CCC(C)CC1 1300654688 DUGNKIOMTOZZHX-FQEVSTJZSA-N 463.590 2.127 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccc(OC)cc3)n2Cc2cnn(CC)c2)CC1 1300729202 QGJDNEJIAXNXEC-UHFFFAOYSA-N 475.597 2.302 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@@]2(O)CCOC2)CC1 1300731032 KXMXICOJLRZSPA-QHCPKHFHSA-N 490.029 2.341 30 10 JEEE C=C(Br)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1300857777 GLKGAWXOPKSXKX-KRWDZBQOSA-N 464.364 2.334 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)COC)CC1 1300875773 QJWNTXUZGAULSZ-OFNKIYASSA-N 496.612 2.423 30 10 JEEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@](O)(Cc2cccc(Cl)c2)C1 1300928781 NZEZMNOOAIDXBI-QRWLVFNGSA-N 453.996 2.302 30 10 JEEE C=CC[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1)c1ccccc1 1301165140 ZRQPACPWBWJVIU-ZIBCJSCZSA-N 486.642 2.305 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cc(OC)c(OC)c(OC)c2)C1 1301558711 YAJKJRQHRLBDBQ-ROUUACIJSA-N 492.598 2.036 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)C[C@H]1CCOC1 1301589181 OQUMIWXSRPPONR-RTBURBONSA-N 497.662 2.466 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCCN(c2ccccc2C#N)CC1 1301596764 XXSBTGMTHJOHMT-OAQYLSRUSA-N 470.599 2.319 30 10 JEEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1Cc1ccc([C@@H](C)O)cc1 1314393226 BMWKKTDYJVBKEF-QZTJIDSGSA-N 462.558 2.293 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1cccc(NC(=O)OC)c1)[C@H]1CCS(=O)(=O)C1 1358955099 DNXGWUBJZXSCPF-SFHVURJKSA-N 459.572 2.429 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCCC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1358967868 URQKKWLLODEJMG-FHWLQOOXSA-N 452.621 2.455 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCn1cccn1 1358994827 XGQCZECZOZMKJQ-FQEVSTJZSA-N 467.574 2.336 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2CC[C@@H](C(F)F)N2CCOCC2)CC1 1359037309 FCLRCLCAGDAYGO-IBGZPJMESA-N 464.586 2.042 30 10 JEEE C=CCCOCCn1c(-c2cccn2C)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1359224846 FAEGDIFOUGBRCB-REWPJTCUSA-N 469.634 2.255 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 1359298048 KROSEEBQIQUSDO-INIZCTEOSA-N 454.556 2.243 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC(n2ccc(C(F)(F)F)n2)CC1 1359298191 QNQJPBZGUCYPSP-UHFFFAOYSA-N 461.452 2.094 30 10 JEEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CCN(c2ncccc2C#N)CC1 1359303421 NRYWKZHPHJNFQF-UHFFFAOYSA-N 470.581 2.349 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1359304978 PPPQXBAXXJHNDJ-UHFFFAOYSA-N 466.586 2.449 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)C1 1359325047 WVXABTKREBYMJP-ZWKOTPCHSA-N 462.595 2.437 30 10 JEEE C=CCn1c(S)nc2cc(C(=O)N3CCC(O)(C4(C(=O)OC)CCC4)CC3)ccc2c1=O 1457150992 OQHBSFPGEYRTAT-UHFFFAOYSA-N 457.552 2.182 30 10 JEEE C#CCC1(O)CCN(C(=O)c2cc(S(=O)(=O)NCC(C)C)ccc2Br)CC1 1471521277 HDAIMUDQRWHOSL-UHFFFAOYSA-N 457.390 2.374 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2[C@@H]2C[C@H]2C(C)C)c1 1507548616 UKHYUERAQGTILG-AYOQOUSVSA-N 458.588 2.162 30 10 JEEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1507578904 FVYOUTCNBOOHAW-KRWDZBQOSA-N 490.450 2.496 30 10 JEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC[S@](=O)C(C)(C)C 1507617481 UQLZFOIGUVSJRQ-ZYSBOAIWSA-N 453.609 2.203 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1507626152 NAGSFWWQCNJWCM-HOTGVXAUSA-N 482.404 2.232 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCCN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1507626772 HHPDFRPUQOPXBL-IBGZPJMESA-N 477.034 2.496 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](OC)C1CC1 1507672007 SPZVEGPFCQJRQY-VQTJNVASSA-N 457.575 2.474 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1507702227 SHFIDCKWDXRELE-KRWDZBQOSA-N 453.499 2.472 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C)=C(Br)C1 1507750768 DOPSREIHJDCSRF-CQSZACIVSA-N 459.435 2.426 30 10 JEEE C=C(Br)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)NCC)CC1 1507790280 CXVUGDXVGUMJDH-UHFFFAOYSA-N 474.363 2.489 30 10 JEEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](C)CN1CCOCC1 1507982412 MQMFXEXSJWPUKP-MOPGFXCFSA-N 464.611 2.177 30 10 JEEE C=CCN(CC=C)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1508014137 SLWNNFNITPSQMV-GOSISDBHSA-N 451.579 2.193 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](c2ccc(CC)cc2)C1 1508132520 ZBWPOUFSTUGPDT-HXUWFJFHSA-N 475.615 2.157 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCn1ccc2ccccc21 1508423554 HQUISIZOAICWBC-NQIIRXRSSA-N 485.614 2.252 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCNC(=O)c1cc[nH]n1 1539010744 CGNQNHCSUGXBIE-DLBZAZTESA-N 470.578 2.004 30 10 JEEE C#CCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCN(C(C)=O)C[C@H]1C 1539131959 ANVQSXXANZETRQ-JOCHJYFZSA-N 463.630 2.113 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CCc1scnc1C)[C@@H]1CCS(=O)(=O)C1 1539230686 OVKCHSNWQOQGOZ-LJQANCHMSA-N 496.618 2.363 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1CCc1cccc(C(N)=O)c1 1539400236 AQXLCRSRUBKWLF-UHFFFAOYSA-N 485.386 2.474 30 10 JEEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2Cc2ccc(NC(=O)N(C)C)cc2)CC1 1539454125 XBVNILGODSATJH-UHFFFAOYSA-N 458.570 2.161 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3noc4c3COCC4)n2C[C@H](C(CC)CC)N(C)C)CC1 1539477254 KPZMLCSDELPPBT-OAQYLSRUSA-N 497.644 2.338 30 10 JEEE C=CCCCCn1c(COc2cccc(C)c2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1539974255 NSXLQJHLWISHGU-UHFFFAOYSA-N 466.586 2.449 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1 1540874357 CXOBHKNNBZEZDO-XMMPIXPASA-N 454.575 2.159 30 10 JEEE C#CCCN1CCN(C(=O)c2ccccc2NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 1544679705 BVAMBVIYNUBRMJ-UHFFFAOYSA-N 456.524 2.485 30 10 JEEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCc1ccc(COC2CCOCC2)cc1 1546031993 AXPGGIWGPUMKCY-UHFFFAOYSA-N 457.552 2.127 30 10 JEEE N#Cc1cccc(-c2nnc(N3CCC(O)(C(F)(F)F)CC3)n2C[C@@H]2CCS(=O)(=O)C2)c1 1555986987 FPCMMZBAGUHHOB-HNNXBMFYSA-N 469.489 2.145 30 10 JEEE C=C[C@H](CO)NC(=O)Cc1csc(NC(=O)c2ccccc2I)n1 1557621507 FUQHOUWOJMFLRY-SNVBAGLBSA-N 457.293 2.206 30 10 JEEE COc1ccc(Br)cc1CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 1566318389 ASBLXMUDOLGEAH-LBPRGKRZSA-N 452.330 2.313 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCCn1cc(Br)cn1 1587641299 YWNRZKWXCYJDKP-GJZGRUSLSA-N 469.409 2.078 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@@H](C)CN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1588064229 DMAHDDYJIZNLSK-RXVVDRJESA-N 490.699 2.383 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(SC)CCOCC1 1588099600 RWPWREASFITION-UHFFFAOYSA-N 487.651 2.180 30 10 JEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(C(=O)NCC)cc1 1588158950 MTVFCTZEKJLWJO-UHFFFAOYSA-N 460.563 2.140 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)cc1OCCOC 1588229011 PCFZAXXRSFTUTF-NRFANRHFSA-N 470.595 2.025 30 10 JEEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1c(C)nn(C)c1C 1588229619 ZNROVOKEEKWBPH-UHFFFAOYSA-N 457.586 2.314 30 10 JEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC(OC[C@@H]2CCCCO2)CC1 1588968054 GIPALHVQQODYGI-FQEVSTJZSA-N 461.632 2.435 30 10 JEEE C#CCSCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN2C(=O)OC[C@H]2C1 1589036473 IOKOBQOCVHMWRL-QGZVFWFLSA-N 457.556 2.360 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(N(CC)CC)CC1 1589493115 FZCQJPAGIBUNRY-HBFSDRIKSA-N 468.668 2.180 30 10 JEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCC2 1594732779 IAMWYZXWUDZMLG-GBESFXJTSA-N 467.636 2.361 30 10 JEEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1C[C@H](F)CN1Cc1cccs1 1594961638 DJTNIHMXHIZOMW-ULQDDVLXSA-N 453.609 2.477 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1595561738 AJTKOGRLABPSIB-UHFFFAOYSA-N 460.501 2.255 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC(C)=C(Br)C2)nnc1[C@]1(OC(C)C)CCOC1 1595602243 HOBBSOJPEVTKPE-FQEVSTJZSA-N 468.396 2.500 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(C)(C)CN2CCCC2)C1 1595723023 QAIPXZIGHVGIMP-OALUTQOASA-N 451.637 2.084 30 10 JEEE CC[C@H](C)CN(CC)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1613397683 ATXGKHBSORPALQ-HTAPYJJXSA-N 461.588 2.151 30 10 JEEE CCc1nn(C)c(CC)c1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)COC)CC1 1613893382 DHNSHRKTIMDICS-UHFFFAOYSA-N 476.585 2.018 30 10 JEEE CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCC(C(=O)Nc2ccc(Br)cn2)CC1 1621668033 FDSTXEZQHAYZSA-ZDUSSCGKSA-N 458.382 2.221 30 10 JEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(N2CCCS2(=O)=O)c(F)c1 1633403695 KSGIFHBMANJNPI-QGZVFWFLSA-N 453.536 2.289 30 10 JEEE C#CCN1CCC(NC(=O)[C@@H](CCS(C)(=O)=O)Cc2cccc(Br)c2)CC1 1645782131 XZDFCOZZHMDTMJ-KRWDZBQOSA-N 455.418 2.256 30 10 JEEE COCCS(=O)(=O)c1ccc(CNC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)cc1 1680086449 DKLZWCCFQZUMKV-OAQYLSRUSA-N 456.568 2.026 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C)c(C)c2)n1CCS(=O)(=O)N1CCSCC1 1689863310 QYSUCTMZKLDMQS-LJQANCHMSA-N 477.656 2.310 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC1([S@](C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1689979650 FQNOXFQGLWBALE-CGRBXVTASA-N 494.614 2.095 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1CCOc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1689986131 JFQINUUCWQYOHX-HXUWFJFHSA-N 451.552 2.354 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCC[C@H]1CC)[C@H]1CCS(=O)(=O)C1 1689998228 GGPZSVVZCBKGHD-SYAJIYQZSA-N 464.632 2.455 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CC[C@H](OC)C(F)(F)F)CC1 1690141784 CCVQSAPKJSFXDR-KRWDZBQOSA-N 450.465 2.273 30 10 JEEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCC(NC(=O)CCC)CC1 1690171004 UJCLAPHYUKWNMR-UHFFFAOYSA-N 458.588 2.257 30 10 JEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(O)(c2ccccc2)CC1 1690508197 CXHCLAATZQGJGL-IBGZPJMESA-N 460.600 2.261 30 10 JEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1Cc2ccc(Br)cc2C1 1690644426 KFMAZRNNLILALZ-INIZCTEOSA-N 468.377 2.080 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H]1Cc1cccs1 1690714029 CKHGGAMENUZBBC-INIZCTEOSA-N 451.618 2.290 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 1690722602 OZEBMKAZZFJAMH-FQEVSTJZSA-N 499.572 2.480 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCN(C(=O)c2ccccc2)CC1 1690726906 QCYNTYQMRWEHFL-UHFFFAOYSA-N 485.635 2.494 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cn3nc(C)cc3C)n2Cc2cnn(CC)c2)c1 1705507705 JCRUQZSKTDWTAY-UHFFFAOYSA-N 471.569 2.461 30 10 JEEE C#CCCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1705529967 MFWJLUPWPJCQCD-UHFFFAOYSA-N 496.612 2.328 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1CC(C)C)[C@@H]1CCS(=O)(=O)C1 1705560768 KDVXVOXLNWKWBM-OAHLLOKOSA-N 454.394 2.329 30 10 JEEE C#CCN(c1nnc([C@H](C)OCCOC)n1Cc1ccc(C)cc1C)[C@H]1CCS(=O)(=O)C1 1705561298 SGFURPWUCMGLTH-FPOVZHCZSA-N 460.600 2.294 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@@H]2CCCCS2(=O)=O)CC1 1705636445 KISNBINNFCLXGO-SFHVURJKSA-N 478.018 2.330 30 10 JEEE C#CCSCCn1c(CC2CCCC2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1705664094 VKVXBJQFWOYBGO-LJQANCHMSA-N 451.662 2.382 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CCC(OCC(N)=O)CC1 1705698141 PZQYHQZWMPCDFZ-GCJKJVERSA-N 455.559 2.406 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1705698934 AFCCRCRZIGQOQY-LNLFQRSKSA-N 460.579 2.268 30 10 JEEE C=CCN(C)c1nnc(-c2ccc(OCCC)c(OC)c2)n1CC1(O)CCS(=O)(=O)CC1 1705839245 TVAHYCDDVXOXHK-UHFFFAOYSA-N 464.588 2.304 30 10 JEEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1705888432 XOMVZEBLHMOWRD-OAHLLOKOSA-N 472.537 2.454 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCSCC1 1705931608 VGAXDBMXXLTGOM-UHFFFAOYSA-N 468.601 2.125 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)Nc3ccccn3)n2C[C@@](C)(O)C(C)C)c1 1722307008 YALRIJPIGSRPKK-RUZDIDTESA-N 475.553 2.389 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@@H]1CCO[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1722369750 GBKKTQSMTNBMRT-NLWGTHIKSA-N 476.574 2.438 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(OC)c2)n1CCCN1CCC(O)CC1 1722393015 YOPBPMHQUQTOJZ-UHFFFAOYSA-N 451.571 2.272 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc2ccccc2s1 1722398284 ZDBSCHQCJQWHEE-FQEVSTJZSA-N 483.619 2.337 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(COC)CCOCC1 1722420010 FJSAOZVRAYCLPF-FQEVSTJZSA-N 490.601 2.402 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C 1722475623 WHGRZRNDNWNGEK-PNLZDCPESA-N 465.620 2.428 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1722494102 MORPUMMHPWJTJC-QZTJIDSGSA-N 461.611 2.028 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(C)C)CC1 1722506263 DSCKTGIBEVKUBT-NJYVYQBISA-N 481.663 2.465 30 10 JEEE C=CCCCn1c(COc2ccccc2OC)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1722621243 PRQUKLDZBFZQIG-UHFFFAOYSA-N 482.585 2.103 30 10 JEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(c2ccccn2)CC1 1722686319 WNMIVEXZOBHODR-SFHVURJKSA-N 455.563 2.494 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 1722699135 RRGJHEHZGARIIG-AVRDEDQJSA-N 496.612 2.470 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCCS(C)(=O)=O)C1 1722711753 IFGGVGJHGQNJON-FQEVSTJZSA-N 456.572 2.347 30 10 JEEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCC2(CC1)Cc1ccccc1C2=O 1722731043 BUNSGYZVQLSJMH-UHFFFAOYSA-N 458.584 2.441 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(Cl)cc2)nnc1N1CCN(C(=O)C(C)C)CC1 1722731758 RADMVYUGGJIWGA-UHFFFAOYSA-N 496.033 2.416 30 10 JEEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@](C)(O)CCC(C)C 1729068733 BITYSTXCRCCQAK-FDDCHVKYSA-N 456.595 2.379 30 10 JEEE C#CCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1C[C@H](C)O[C@H](COC)C1 1740594299 HYFUUTFHIVLYRT-UPVQGACJSA-N 466.630 2.296 30 10 JEEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccc(N2CCOCC2)nc1 1740615211 WHGNXNFZPZMHER-BGYRXZFFSA-N 481.601 2.398 30 10 JEEE C#CCN(c1nnc(C2CCCC2)n1C[C@@H]1CCN(CC(F)(F)F)C1)[C@H]1CCS(=O)(=O)C1 1740622693 GYZKGQAEELITJR-AEFFLSMTSA-N 473.565 2.447 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCC[C@@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1740628160 VXEVECIRVZVMDI-AABGKKOBSA-N 450.605 2.148 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2ccc(F)cc2)n1C[C@@]1(N2CCOCC2)CCSC1 1740641460 LOVWMEINEVJXQM-DEOSSOPVSA-N 453.587 2.289 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCOC[C@@H]1OC 1740657079 OQVJFWCZEVGRBP-HKBOAZHASA-N 487.601 2.101 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1C[C@H](C)N1CCN(CC)CC1 1740679407 XVSRMRJSQDHCLZ-NRFANRHFSA-N 481.620 2.205 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC[C@H]1COCCO1 1740685763 QRLFJWNSHCVYPQ-PMACEKPBSA-N 477.606 2.284 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCOC2(CCCCC2)C1 1740752592 YIGUDGCOSXTKHP-FHWLQOOXSA-N 467.636 2.409 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C)[C@@H](C)C1 1740759146 AEDGPEXLRNEBLL-KNJMJIDISA-N 467.636 2.075 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCCN2CCC)C1 1740979234 CCDVJKKURRFMLE-SLFFLAALSA-N 451.637 2.226 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1cccc(C(N)=O)c1 1741130630 AZYYKJISAZYULU-KRWDZBQOSA-N 459.558 2.195 30 10 JEEE CCN1CCCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@@H]1C 1746422382 ATQAWCDCBVWZOB-ICSRJNTNSA-N 451.575 2.270 30 10 JEEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC(S(C)(=O)=O)CC1 1748734865 NBMOXISMHORTGI-UHFFFAOYSA-N 462.572 2.398 30 10 JEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1CCN(C(=O)OC(C)(C)C)C1CC1 1748901240 UMGHXEZAZQVBHX-UHFFFAOYSA-N 454.575 2.263 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@]2(N(C)C)CCSC2)CC1 1749006106 INHWMHCJDNHMPP-VWLOTQADSA-N 482.654 2.357 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@H](COC)OC)CC1 1749006879 ZRTXLOVERZUMGE-KRWDZBQOSA-N 463.941 2.365 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3noc4c3COCC4)n2C[C@](C)(O)CCC(C)C)CC1 1749008581 DJDFYULMYZDTEY-RUZDIDTESA-N 484.601 2.159 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCN1c2ccccc2C[C@H]1C 1749053475 HXYPEGFDTIWLJA-IEGUWTFLSA-N 456.616 2.332 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccccc2F)n1C[C@]1(O)CCS(=O)(=O)C1 1749054609 WOQZPIITVZMYQH-KNXBSLHKSA-N 462.547 2.099 30 10 JEEE C=CCn1c(Cn2nc(C)cc2C)nnc1N1CCC(C(=O)NCCCN2CCCC2)CC1 1749640422 XSJOJAQROCJXGH-UHFFFAOYSA-N 454.623 2.144 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1749726707 BHPQKOTZYOFJHH-GOSISDBHSA-N 489.598 2.017 30 10 JEEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1760144117 DSMTUOSTSHEQSL-OAQYLSRUSA-N 498.031 2.018 30 10 JEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ncc(Cl)cc2Cl)CC1 1760144918 DYRACHCBNXARHH-AWEZNQCLSA-N 486.429 2.330 30 10 JEEE C#CCN(c1nnc(C2(c3ccccc3)CCC2)n1C[C@@H](F)COC)[C@H]1CCS(=O)(=O)C1 1760180845 LZBSGWRAXZURGV-UXHICEINSA-N 460.575 2.359 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC1(Sc2ccccc2)CC1)[C@H]1CCS(=O)(=O)C1 1760183167 OPDYOXSUGLMELF-SFHVURJKSA-N 487.651 2.368 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Cl)n1C[C@@](C)(O)CCOC)[C@H]1CCS(=O)(=O)C1 1760185019 NSZUOORBMLPJCV-KKSFZXQISA-N 466.991 2.013 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1cccnc1OCCC)[C@@H]1CCS(=O)(=O)C1 1760189137 OADOTQQVMIIGMP-HXUWFJFHSA-N 466.567 2.199 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnccn2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1760240830 DLLGWBOERZKPIW-QHCPKHFHSA-N 490.587 2.457 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CC(=O)N(c2ccccc2)C1 1760242590 ITQKWSQFMYXVFS-LJQANCHMSA-N 473.537 2.065 30 10 JEEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2CCCN2C[C@H](C)O[C@@H](C)C2)CC1 1760260729 DFQBJCUDOQUWBH-GOTSBHOMSA-N 466.630 2.420 30 10 JEEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CCNc2nccc(C(F)(F)F)n2)CC1 1760263092 NNDMBVBZEXYVHN-UHFFFAOYSA-N 491.547 2.310 30 10 JEEE C=CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1760512484 LMTDMALNTWLBMZ-UHFFFAOYSA-N 472.571 2.300 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1CC[C@]2(C1)OCc1ccccc12 1760548882 RIOLRDSZGFAPEU-XMMPIXPASA-N 487.626 2.433 30 10 JEEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1760559367 NLPPUHNKHVKCPY-UHFFFAOYSA-N 478.582 2.202 30 10 JEEE CN(CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1)C(=O)OC(C)(C)C 1767332497 AKFCQBNBZAJLPZ-UHFFFAOYSA-N 483.573 2.312 30 10 JEEE CCOCC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1767746299 HSBKSQHAKQWZLN-UHFFFAOYSA-N 490.630 2.263 30 10 JEEE CO[C@@]1(Cn2c(COc3ccc(Br)cc3)nnc2N2CCO[C@H](C#N)C2)CCOC1 1769780570 AYNZHORUSRXGSA-YLJYHZDGSA-N 478.347 2.154 30 10 JEEE COc1cccc([C@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2CCNC(C)=O)c1 1862568972 CMNQNMKPKNETIE-NRFANRHFSA-N 454.479 2.427 30 10 JEEE COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2C[C@H](C)O)cc(OC)c1OC 1862635754 RLAUXAHGIWMKTL-FKIZINRSSA-N 471.462 2.400 30 10 JEEE C=CCNC(=O)C1=C(N)Oc2c(c(CC)nn2C)[C@@H]1c1cc(Br)c(O)c(OC)c1 1864292736 HZOVNDMTUGTQTF-AWEZNQCLSA-N 463.332 2.456 30 10 JEEE CN1C(=O)c2ccc(NC(=O)CNC(=O)C3CCN([C@H](C#N)c4cccs4)CC3)cc2C1=O 1868145955 MEIPRPBGMIMVIK-GOSISDBHSA-N 465.535 2.005 30 10 JEEE Cc1cc(=O)c(OCC(=O)Nc2sc3c(c2C#N)CCC3)cn1Cc1ccc(S(N)(=O)=O)cc1 1870089637 WGTWGIQOQXYVAE-UHFFFAOYSA-N 498.586 2.292 30 10 JEEE O=C1C[C@H](c2nnc(S)n2/N=C/c2ccccc2S(=O)(=O)O)CN1Cc1ccccc1 1874569939 JFCWLMSIGHFVBV-XYHOIZSOSA-N 457.537 2.212 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@H](C(=O)NCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2185171713 GTGPASBFFXGEHR-GOSISDBHSA-N 460.380 2.486 30 10 JEEE Cc1cc(CNC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)O)sc1B1OC(C)(C)C(C)(C)O1 2256620979 OWQONERSJMXTAR-ZFWWWQNUSA-N 454.398 2.246 30 10 JEEE CC[C@@]1(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)CCCN1C(=O)OC(C)(C)C 2256626570 LLMKWNVFDNXPQM-FQEVSTJZSA-N 452.386 2.377 30 10 JEEE CN(CCOCCN(C)C(=O)c1csnc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2267158658 DIRKRFHHLYLGFY-UHFFFAOYSA-N 469.413 2.398 30 10 JEEE COCC1(NC(=O)OC(C)(C)C)CC(NC(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)C1 2267286606 PUVSONJAMICQER-UHFFFAOYSA-N 450.341 2.381 30 10 JEEE C[C@@H]1C[C@H](NC(=O)C(F)(F)F)CCN1S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2267371667 DISAFJRGUZXEFN-VXGBXAGGSA-N 482.355 2.267 30 10 JEEE CON(CCNC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1C 2267471058 DOFKSHPQNYGMED-UHFFFAOYSA-N 470.397 2.371 30 10 JEEE Cc1nc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c(B2OC(C)(C)C(C)(C)O2)s1 2267478151 URBFDKGDBVLUNG-AWEZNQCLSA-N 462.381 2.336 30 10 JEEE CC(C)(C)OC(=O)N1CC2(C[C@H](O)CN2C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2267560989 JXSQFRRHUQQKPM-AWEZNQCLSA-N 464.393 2.244 30 10 JEEE CO[C@H]1C[C@H](C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)N(C(=O)OC(C)(C)C)C1 2268642968 ILJNLFQDJOGXNI-UONOGXRCSA-N 467.397 2.083 30 10 JEEE CO[C@H](C)[C@H](CC(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1)NC(=O)OC(C)(C)C 2268649353 IQMNMTGWYRPMSA-KGLIPLIRSA-N 469.413 2.377 30 10 JEEE CC(C)(C)OC(=O)NCC1(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2F)COC1 2281782822 BPENATHQDPOQHJ-UHFFFAOYSA-N 464.343 2.396 30 10 JEEE Cc1nc(C(=O)NCC2(CCO)CN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2282136068 NHOIQXKKQDOANF-UHFFFAOYSA-N 481.424 2.100 30 10 JEEE CN(C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2282187761 MXWNAABJKMKIDJ-MRXNPFEDSA-N 460.384 2.495 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](CNC(=O)c2ccc(F)c(B3OC(C)(C)C(C)(C)O3)c2)[C@@H](O)C1 2282475919 VFUJYNMILUMXSE-YJBOKZPZSA-N 464.343 2.083 30 10 JEEE Cc1nn(C)c(C(=O)N2C[C@H]3CN(Cc4ccccc4)C[C@@H]3C2)c1B1OC(C)(C)C(C)(C)O1 2282583155 GCFHRSTUYOROAW-WOJBJXKFSA-N 450.392 2.232 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@@](C)(CNC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)C1 2282607000 IAHXKQZWMJBIEA-QFIPXVFZSA-N 481.424 2.446 30 10 JEEE CN(C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2282628350 NCFDJOJDRCCJLJ-MRXNPFEDSA-N 460.384 2.495 30 10 JEEE C[C@@H]1C[C@H](CNC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2282648960 UVROTKRFTCWKEI-HZPDHXFCSA-N 460.384 2.399 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2O)c1 2282683560 FHWUHZQMGSVFHX-OALUTQOASA-N 460.380 2.394 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](NS(=O)(=O)Cc3ncsc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2282831099 FDZQHPLWGZFBFT-KKUMJFAQSA-N 499.464 2.117 30 10 JEEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)C(=O)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 2284047902 KPNNXFWGPKNJMC-DEOSSOPVSA-N 460.380 2.316 30 10 JEEE C=CC1(N[C@](C)(C(=O)O)[C@H]2CN(C(=O)OC(C)(C)C)CCO2)CN(C(=O)OC(C)(C)C)C1 2326232963 IMXQBAOSIXHBSF-VFNWGFHPSA-N 455.552 2.231 30 10 JEEE COC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)(C)C)C2)n1N=Cc1ccc2c(c1)OCCO2 2327878646 LLPYSFAPTFMBOI-HNNXBMFYSA-N 473.555 2.311 30 10 JEEE COc1ccc(C(=O)NC[C@@H](CNC(=O)OC(C)(C)C)OC)c(B2OC(C)(C)C(C)(C)O2)c1 2365423160 CRTDUNPYPKCAJM-INIZCTEOSA-N 464.368 2.264 30 10 JEEE C=CCCN1C(=O)[C@H]2[C@H](C1=O)[C@@](Cc1ccccc1)(C(=O)O)N[C@H]2c1ccc(C(=O)OC)cc1 247842997 OOQSMNLWXPEQAW-LMMUWCHVSA-N 462.502 2.361 30 10 JEEE C=CCNC(=O)CN1CCN(C(=O)c2ccc3c(=O)n(-c4cccc(C)c4C)c(S)nc3c2)CC1 758662390 OOROXHODIARVBT-UHFFFAOYSA-N 491.617 2.351 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)C(=O)[C@H](CCCC)NC(=O)[C@@H](C)NC(=O)C(C)(C)C)c1 1141896339 ACUUEXXUHHZKKG-XLIONFOSSA-N 456.587 2.291 30 10 JEEE C#CCn1ccc(CN(CCOC)C(=O)c2cc3n(n2)C[C@@H](C)N(C(=O)OC(C)(C)C)C3)n1 1156617566 BHJSRSVFALCFIJ-QGZVFWFLSA-N 456.547 2.141 30 10 JEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCN(CC(F)(F)F)C1 1286370401 LFXBSWDSYNELGU-HNNXBMFYSA-N 469.537 2.192 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@H]1CCCCS1(=O)=O 1286459830 RBBRBTUJHCAEKQ-IBGZPJMESA-N 468.583 2.389 30 10 JEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(NC(=O)N(C)C)cc2)CC1 1286484945 RGJZSZLGFFWRIP-UHFFFAOYSA-N 475.601 2.037 30 10 JEEE C#CCSCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(CC#C)CC#CC 1286496471 FUGHQODNLPTFSA-UHFFFAOYSA-N 454.625 2.376 30 10 JEEE C#CCSCCn1c(CCOc2ccccc2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1286509003 SFGIXOAYOPBEPC-QPPBQGQZSA-N 496.681 2.255 30 10 JEEE C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1Cc2ccccc2C1 1286540393 AJKRGUHOMMXGJR-GOSISDBHSA-N 496.431 2.123 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1286552969 SYRWPINQLYFZCD-WIYYLYMNSA-N 475.615 2.453 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1286558832 RBAAIOKJVJHVAE-QUCCMNQESA-N 460.623 2.021 30 10 JEEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2cccc(OC)c2)C1 1286620569 OPVTVZQSDGESNY-WMLDXEAASA-N 455.968 2.227 30 10 JEEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H](C)CN1CCN(CC)CC1 1286724085 DKVVGYRFWMMXBR-NRFANRHFSA-N 467.666 2.348 30 10 JEEE C=CCN(c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCCS(=O)(=O)C1)C1CC1 1286735384 XZIMEQKQVLYXEV-KRWDZBQOSA-N 493.655 2.175 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 1286810436 RFUJSAPATDNBNE-CEXWTWQISA-N 495.646 2.361 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)CC1CCCC1 1286819077 ZDZPCJGFRWTLJB-UHFFFAOYSA-N 480.660 2.465 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N(CC)C[C@@H]1COc2ccccc2O1 1286820620 OKRVKCVEAJNICM-ZWKOTPCHSA-N 462.572 2.049 30 10 JEEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1286829032 UTITXRZYEZGYRA-UHFFFAOYSA-N 452.588 2.023 30 10 JEEE CC(C)NS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 1288267638 DZISYBDQEJYRIA-UXHICEINSA-N 458.588 2.292 30 10 JEEE C[C@H]1[C@@H](C)SCCN1c1nnc(-c2cccc(C#N)c2)n1CC1(O)CCS(=O)(=O)CC1 1291326960 CPQVHPOHEWNTGW-JKSUJKDBSA-N 461.613 2.087 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2ccc(Br)cc2C(N)=O)ccc1F 1293768359 VPNWSCCSKJGNBI-UHFFFAOYSA-N 456.293 2.404 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCN(C)[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1300481969 CXDBHOHDYPEXCV-UYAOXDASSA-N 459.616 2.311 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1cccnc1OCC(F)F)[C@@H]1CCS(=O)(=O)C1 1300488303 QGYLEQXCHSFSDS-GOSISDBHSA-N 488.520 2.054 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1c[nH]c2c(C)cccc12 1300631341 PTFJYLFAMJSCFT-HXUWFJFHSA-N 470.599 2.103 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCN(S(C)(=O)=O)C1 1300644460 WKRLFCVJBNDGHZ-ROUUACIJSA-N 480.635 2.091 30 10 JEEE C=C(Br)Cn1c(N2CCO[C@H](c3noc(C)n3)C2)nnc1[C@]1(OC(C)C)CCOC1 1300862636 BLHDPXVFKXZLGL-KXBFYZLASA-N 483.367 2.497 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1300892515 TWPBPSNUUFPVNG-JQVVWYNYSA-N 471.583 2.333 30 10 JEEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1300972225 IZMCRODHAOQTNO-LJQANCHMSA-N 482.589 2.100 30 10 JEEE C=CC[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1)c1ccccc1 1301164630 BIWMPYSYBSLJNP-IHPCNDPISA-N 472.615 2.059 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)Nc2ccccn2)n1Cc1cnnn1C 1301341955 WPSPZEGQECCDQR-UHFFFAOYSA-N 454.498 2.166 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(OC)c(OC)c2OC)C1 1301558421 VMNIQPZCJQVWQT-ROUUACIJSA-N 492.598 2.036 30 10 JEEE COCCN(CCC#N)c1nnc(CN2CCCC2=O)n1Cc1cc(Cl)c2c(c1)OCCO2 1301808596 HFAHCCZWNKEHFY-UHFFFAOYSA-N 474.949 2.240 30 10 JEEE CCC[C@@H](Cn1c(N2CCN(c3ccc(C#N)cn3)CC2)nnc1[C@@]1(OCC)CCOC1)OC 1306591429 DIFKVJDKJQAEIL-GBXCKJPGSA-N 469.590 2.339 30 10 JEEE CCN1CCN(CCCn2c(C3CCN(c4ncccn4)CC3)nnc2N(C)[C@H](C)CC#N)CC1 1313956135 ASSTWFSBWJSJOK-OAQYLSRUSA-N 480.665 2.218 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1CCn1cc(Cl)cn1)[C@@H]1CCS(=O)(=O)C1 1358965211 QCJFHLZIUTVZJB-LJQANCHMSA-N 489.001 2.054 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2Cc2ncn(C)n2)CC1 1359038765 JTSPOZLKEHDLPC-UHFFFAOYSA-N 461.357 2.096 30 10 JEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N(CC)C[C@@H]1COc2ccccc2O1 1359060551 ZJIFTCPUQMQVGW-GOSISDBHSA-N 455.584 2.433 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N(C)C1CCN(CCn2cccn2)CC1 1359297147 HEQQVZDGLRACFY-UHFFFAOYSA-N 466.565 2.184 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCOC2(CCOCC2)C1 1359334349 CAJUXKSCTOJAKW-UHFFFAOYSA-N 490.626 2.461 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(Cc2ccccc2)C[C@@H]1C 1359336605 VYQUAXPQDGJFJE-PZJWPPBQSA-N 459.616 2.441 30 10 JEEE CC(C)NC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@@H]2CCCCO2)CC1 1360301403 AJVWJYWZRPLZDB-QFIPXVFZSA-N 495.628 2.335 30 10 JEEE C#CC[C@]1(C(=O)N(C)C[C@@H](O)CN(C)C(=O)OC(C)(C)C)CCCN1C(=O)OC(C)(C)C 1454444717 SZIKYCFCDNCNLX-UZUQRXQVSA-N 453.580 2.466 30 10 JEEE CC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCO2)CCN1CCOC 1499780489 BFULIZZPTKHRCT-IRLDBZIGSA-N 454.575 2.455 30 10 JEEE CN(CCN1CCOC(C)(C)C1)c1nnc(-c2ccc(C#N)cc2)n1CC(=O)NCC(F)(F)F 1503617917 CTMVZSMYQOOKAG-UHFFFAOYSA-N 479.507 2.042 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H](CC)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1507629523 NDYVDRNOPAFTBM-QZTJIDSGSA-N 488.614 2.270 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1Cc1ccc(NC(C)=O)nc1)[C@H]1CCS(=O)(=O)C1 1507634653 OPUUHKYYDBWHKI-QFIPXVFZSA-N 492.605 2.206 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCN(c2ccccc2OC)C1 1507669394 LMUNVZLHWVROEJ-NHCUHLMSSA-N 481.622 2.178 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@H](CC)N2CCCC2)CC1 1507731959 GOPNQGGCOKOVSV-OAQYLSRUSA-N 452.603 2.495 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H]2CCCN(CC(C)C)C2)CC1 1507740830 FXZZXRUEBYHEOQ-IFMALSPDSA-N 456.635 2.463 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@]1(O)CCN(C)C1 1507769005 ZWVYPPTXEMCRCN-WVQWTBLQSA-N 472.634 2.451 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 1508078860 KXYUXTDFMXDIAJ-DOTOQJQBSA-N 484.557 2.325 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1 1508098032 WIULAJCSFJCVSQ-OKZBNKHCSA-N 460.579 2.268 30 10 JEEE CCC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1514260241 BTSPEDFKINOLRC-KBMIEXCESA-N 467.618 2.405 30 10 JEEE N#Cc1ccc(-c2nnc(N3CCCN(CC(F)(F)F)CC3)n2C[C@@H]2COCCO2)cc1 1521089518 GLBKXXXBOMTNEN-GOSISDBHSA-N 450.465 2.307 30 10 JEEE N#Cc1ccc(OCc2nnc(N3CCC[C@@H](CC(N)=O)C3)n2CCCN2CCCC2)cc1 1521101297 AYKRXNRYSFHSIR-FQEVSTJZSA-N 451.575 2.306 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1CC1(O)CCCCC1)[C@H]1CCS(=O)(=O)C1 1539210879 HNMDRIMCBNGFHY-SFHVURJKSA-N 458.584 2.276 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccc(F)c1F 1539557394 SKJMOWWIDBYGET-XMSQKQJNSA-N 479.553 2.124 30 10 JEEE C=C(C)COCCn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1539759693 WQPPUJCHQFRFTF-NRFANRHFSA-N 473.549 2.417 30 10 JEEE C=CCC(C)(C)Cn1c(COc2cc(C)ccc2C)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1539926285 LDLMUFHYXBMCHF-UHFFFAOYSA-N 493.616 2.412 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)c(Br)c2)nnc1N(C)C[C@@H](C)C(=O)NC 1540899208 HIMFKOHBVOTQQV-OAHLLOKOSA-N 498.447 2.435 30 10 JEEE CN(C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC=CO2)CC1)S(C)(=O)=O 1554124347 HQFXEBTUZONMEH-HXUWFJFHSA-N 456.572 2.370 30 10 JEEE CC[C@H](C)[C@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)C(=O)NCC1(C#N)CC1 1556392678 CSSJMHDXNQCFQA-GUYCJALGSA-N 454.980 2.155 30 10 JEEE C[C@H]1CCN(CCOc2ccc(NC(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)cc2)C1 1566172821 FWJSUVUQCMNSEZ-KRWDZBQOSA-N 456.568 2.475 30 10 JEEE CC(C)NC(=O)OC[C@@H]1CCCCN1C(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 1568722445 GFDYKNPAAXYXAP-CVEARBPZSA-N 450.561 2.019 30 10 JEEE C#CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1C[C@H]1CC(=O)N(CCOC)C1 1587931711 AVTCARNCZMPSDY-HNNXBMFYSA-N 476.375 2.281 30 10 JEEE C#CCN(c1nnc(-c2cc(-c3ccccc3)on2)n1CCCOC)[C@H]1CCS(=O)(=O)C1 1588049311 DYLKARXRCAMVQW-SFHVURJKSA-N 455.540 2.263 30 10 JEEE C=C(Cl)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1593841388 YZYFHTVURUHNSH-UHFFFAOYSA-N 467.332 2.417 30 10 JEEE C=CCn1c(N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1595461392 SRRKSEQNWAHAFM-HTAPYJJXSA-N 451.568 2.235 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1595555616 FFHOXYHQZQKUEM-OAHLLOKOSA-N 484.910 2.329 30 10 JEEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 1595569853 PAJUEZAAWJUZFI-RBBKRZOGSA-N 485.677 2.130 30 10 JEEE C=CCSCCn1c(N2CCC(N3CCCNC3=O)CC2)nnc1[C@@]1(OCC)CCOC1 1595905388 JCQFFZRUVCNXLX-JOCHJYFZSA-N 464.636 2.234 30 10 JEEE COc1cc(OC)c2c(c1Cl)O[C@]1(C(=O)/C(=C/NCc3nc(C)no3)C(=O)C[C@H]1C)C2=O 1615248238 CVSFOBMRIQXYSW-SDKSVEBFSA-N 461.858 2.214 30 10 JEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCCC[C@H]1C(=O)OCc1ccccc1 1618743808 GXNIIBMYZQUNKD-UTKZUKDTSA-N 455.536 2.350 30 10 JEEE Cc1ccc(Cn2cccc(NC(=O)[C@@H](C)NS(=O)(=O)c3cccc(C#N)c3)c2=O)cc1 1624276538 FKVVYCLUDQCGEI-QGZVFWFLSA-N 450.520 2.382 30 10 JEEE C#C[C@H]1CCCCN1CC(=O)NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 1656425920 FAPOIAAXJVKRGX-JJBLJPBOSA-N 457.577 2.220 30 10 JEEE COC(=O)CN(CCc1ccccc1)CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 1658004496 DJWURUSFOTVOAQ-HSZRJFAPSA-N 452.530 2.252 30 10 JEEE COc1ccc(Cl)cc1N1CC[C@H](NC(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)C1 1683818152 DORSCRQWNXMIFP-KRWDZBQOSA-N 457.966 2.373 30 10 JEEE C=CC[C@@H](NC(=O)N1CCN([C@@H]2CCCN(c3cc(C)nn3C)C2=O)CC1)c1ccncc1 1684648377 JDGLEUFJYGXOIC-NHCUHLMSSA-N 451.575 2.264 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1CC(C)(C)CN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1689985807 BZMLKLXIBKERDT-HXUWFJFHSA-N 456.616 2.089 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCc1ccccc1OC)[C@@H]1CCS(=O)(=O)C1 1689990893 SVNKCYWKRBUNMH-WOJBJXKFSA-N 458.584 2.050 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCCNS(C)(=O)=O 1690003076 CEAGJJHFCVRXDQ-UHFFFAOYSA-N 464.595 2.365 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@](C)(O)c2cccc(Cl)c2)CC1 1690111869 LGQQOFJHAORYEI-FDDCHVKYSA-N 461.994 2.318 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H](c2c(F)cccc2F)N(C)C)CC1 1690146519 POWUXXJEKYCSFX-RXVVDRJESA-N 486.567 2.329 30 10 JEEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(C(C)(C)C)CC1 1690170928 RTXICTXOMSMRQB-UHFFFAOYSA-N 465.627 2.479 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C(C)C)C1 1690247100 ZWFPKNVISCJHKD-NCYKPQTJSA-N 481.663 2.465 30 10 JEEE C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)Nc2ccccc2CC)CC1 1690272668 IGBLRRDRUWVYPK-UHFFFAOYSA-N 465.602 2.413 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1690288189 LTGCBVYNRXABKH-NRFANRHFSA-N 486.598 2.107 30 10 JEEE C=CC[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](C(=O)NC)C1)c1ccccc1 1690442458 TUQFIBWAVXNZNP-VQTJNVASSA-N 475.553 2.237 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCO[C@@H](c2ccc(F)cc2F)C1 1690674199 SGUWKRNNPNFMHG-HXUWFJFHSA-N 454.481 2.422 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2c(Cl)c(C(F)(F)F)nn2C)C1 1690697490 WSYWCUNWIVRLHW-NEPJUHHUSA-N 473.887 2.465 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2Cc2cccc(OCC(=O)N(C)C)c2)C1 1690700140 OCXNYNVSYJCFAX-RBBKRZOGSA-N 469.586 2.469 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1690723285 MMPYKVDEXJJSGS-OAHLLOKOSA-N 463.526 2.041 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCC2(CCN(C)C2=O)CC1 1690725476 RJKQIGLWJSPHMR-UHFFFAOYSA-N 475.590 2.058 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cn2ccc3ccccc32)nnc1N1CCC[C@@H](NC(=O)CC)C1 1690726501 CDAXEUAQTMGSTK-HXUWFJFHSA-N 484.626 2.377 30 10 JEEE CCNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1695907609 HSOWHDBYWOFLCE-IBGZPJMESA-N 472.615 2.383 30 10 JEEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H](c2ccco2)N(CC)CC)CCOC1 1696086580 GXPDRQJJERJBOQ-SELNLUPBSA-N 458.563 2.335 30 10 JEEE CN(CCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@](F)(C#N)C1)CC(F)(F)F 1696818550 CQBXWUHJGJKFHF-KRWDZBQOSA-N 459.473 2.206 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H](C)Oc1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 1705565020 FIILBVDKNBBEGN-VQIMIIECSA-N 489.001 2.426 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1705576534 NBRMKZKZFGLMDT-GBXCKJPGSA-N 468.579 2.150 30 10 JEEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cccc(N2CCOCC2)n1 1705590431 KYHSDTPONXABPT-SANMLTNESA-N 478.597 2.062 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(S(C)(=O)=O)CCC1 1705669599 QICVIQRJCYTRGR-IRLDBZIGSA-N 450.605 2.278 30 10 JEEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1705738560 BPQIHQJEUYGPNZ-QFIPXVFZSA-N 481.645 2.380 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCN(C)Cc2ccccc2)CC1 1705769128 JLMZMPUTBWUEOR-QFIPXVFZSA-N 488.658 2.290 30 10 JEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccc(O)cc2C1 1705806036 VJYPQRWKVWKQPN-FQEVSTJZSA-N 461.588 2.236 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N(CCO)Cc1cc(Br)ccc1F 1705909403 WGBHZDGGEUQPNA-QGZVFWFLSA-N 482.354 2.332 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCO[C@@H]2C(C)C)C1 1705925485 PWJUQONGMUAUHL-MTQWCTHYSA-N 452.621 2.413 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCC(=O)NC(C)C)C1 1705925908 VVSCGAPQPXBWSK-RTBURBONSA-N 492.621 2.283 30 10 JEEE C=CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1705946408 GYGKXHJWXACHHM-MDZRGWNJSA-N 460.556 2.070 30 10 JEEE CCn1cc([C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCS(=O)(=O)CC)CCO2)cn1 1710175390 FSXPCALDPTUDKU-FQEVSTJZSA-N 469.571 2.046 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)NC1CCCCC1 1722296080 NNOJKVWLAVBNGP-HKUYNNGSSA-N 474.606 2.493 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1CC(=O)N(C)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1722371865 MHUOOLPIHXAQEN-HSZRJFAPSA-N 497.665 2.481 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCCSCC)CC1 1722446334 SCBXQIYWMSBDBA-UHFFFAOYSA-N 493.637 2.301 30 10 JEEE C=C(C)CN(CC)c1nnc(Cc2c(F)cccc2F)n1CC1(O)CCS(=O)(=O)CC1 1722514078 UPQMPZPCAPSLIV-UHFFFAOYSA-N 454.543 2.489 30 10 JEEE C=CCCOCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1722621351 ZAGPNZFOZVYEQA-IBGZPJMESA-N 487.992 2.010 30 10 JEEE C=CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 1722684382 OPFNBJKXHTWWFN-UHFFFAOYSA-N 454.984 2.056 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccc(NC(C)=O)nc2)C1 1722711858 XQQFHHNTUJGERH-CVDCTZTESA-N 456.547 2.113 30 10 JEEE CCCCN(C)CCn1c(CN2CCCC2=O)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1728043255 HOPSYEGULDPXOP-UHFFFAOYSA-N 482.608 2.470 30 10 JEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2ccc(F)cc2F)C1 1740580674 FUXJXDVKHCNZQP-KSSFIOAISA-N 453.515 2.158 30 10 JEEE C#CCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1740591291 NMLCMCOFFSQBQC-HXUWFJFHSA-N 459.572 2.064 30 10 JEEE C#CCN(c1nnc(-c2ccc3ccccc3n2)n1CCSCCCO)[C@H]1CCS(=O)(=O)C1 1740618913 DDBYFSBOCBLQRB-IBGZPJMESA-N 485.635 2.236 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1ccc(OC(C)C)nc1)[C@@H]1CCS(=O)(=O)C1 1740624339 FMQNYXDFBPMAEN-OAQYLSRUSA-N 480.594 2.121 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1740629087 AARRYNMYTJFZAK-IBGZPJMESA-N 454.575 2.234 30 10 JEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](CC(C)C)N(C)C 1740636935 JARPMIBOEJOLJU-IBGZPJMESA-N 455.632 2.287 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(C)(C)OC 1740686275 QIFCMKZVGVQBBQ-QGZVFWFLSA-N 451.568 2.098 30 10 JEEE C#CCN1CCN(c2nnc(CCCOc3ccc(Cl)cc3C)n2CCS(C)(=O)=O)CC1 1740698875 OJDZAADGTXCBEN-UHFFFAOYSA-N 480.034 2.051 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2CC2CCC(OC)CC2)CC1 1740700747 GOMWPCJYWIMJNV-UHFFFAOYSA-N 472.634 2.368 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2CC2(O)CC2)CC1 1740701559 LOOPBFBARMNMEW-UHFFFAOYSA-N 488.386 2.207 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H]2CCOC[C@H]2OC)CC1 1740707366 ZIMVJZOSINFLLY-RBBKRZOGSA-N 469.561 2.025 30 10 JEEE C#CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1740709722 QLHIAKNWHKJCSX-GOSISDBHSA-N 496.058 2.241 30 10 JEEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 1740715366 XYCMEQQDHDAYTF-LEWJYISDSA-N 483.686 2.467 30 10 JEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 1740716672 WQENVSDQQNTALU-QZTJIDSGSA-N 467.599 2.154 30 10 JEEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C)cc2)CC1 1740738319 GGASGSWRUWVSCM-INIZCTEOSA-N 483.436 2.432 30 10 JEEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)c2ccccc2)CC1 1740881090 WZOJAXFPCJNMSS-UHFFFAOYSA-N 452.559 2.069 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@@H](OC)C1 1740986537 ZXJYRFWUOREZND-GOSISDBHSA-N 482.006 2.078 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1740988645 LJEPUWCGPOCLHX-IAGOWNOFSA-N 451.980 2.457 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCN(c2ncc(F)cn2)CC1 1740992893 PEPPHYOQSWOLPR-UHFFFAOYSA-N 485.589 2.034 30 10 JEEE CNC(=O)[C@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1748121063 DDASHSFBPQZLHN-AABGKKOBSA-N 497.644 2.435 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)Cc1cccs1 1748670969 FPRKVROJPFHHSR-SOLBZPMBSA-N 451.618 2.009 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)(C)C)n2CC2(N3CCOCC3)CC2)c1 1748690716 WKJKEBQPSYIVKX-UHFFFAOYSA-N 450.587 2.497 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OCC)CCOC3)n2CCc2nccnc2C)c1 1748691256 BPXBPYGGBTVJLY-AREMUKBSSA-N 489.580 2.328 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2CCC2(O)CCOCC2)c1 1748692871 QQBPQXVBTPKQSG-FQEVSTJZSA-N 467.570 2.160 30 10 JEEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(-n2nc(C)cc2C)nc1 1748830236 RMVNTGJVODKSND-RUZDIDTESA-N 459.554 2.249 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OCC(C)C)cc1 1748929391 ISZULIRDZAVGGW-OAQYLSRUSA-N 475.615 2.154 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(C(=O)N3CCCC3)n2CC2C[C@@H](C)O[C@H](C)C2)n1 1748970434 DBDZDLNUCZIERH-WOJBJXKFSA-N 483.617 2.200 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2CC[C@@H]2COCCO2)CC1 1748984144 GRKLTJNMJZKLCY-OAQYLSRUSA-N 469.586 2.303 30 10 JEEE C=C(C)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1749204457 GTKZCKWIWSEMTH-UHFFFAOYSA-N 489.577 2.125 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N(C)[C@H]1CCCN(c2ccccc2)C1 1749736021 YGCHANIHFTYSDK-FPOVZHCZSA-N 459.616 2.488 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@H](C)c1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1760188790 DCSPVVSEHJJVSB-OXJNMPFZSA-N 468.583 2.299 30 10 JEEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC[C@H](C)c1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1760189180 SBQKWPKAMYAVRL-CUWPLCDZSA-N 485.610 2.058 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2cccc(CS(C)(=O)=O)c2)CC1 1760255795 ITSKBRNTVCODMD-UHFFFAOYSA-N 485.013 2.342 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CCOc2ccc(OC)cc2)CC1 1760268258 OSINTFFWKDYGAJ-UHFFFAOYSA-N 460.538 2.394 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CC(=O)NCCc2ccccc2)CC1 1760270397 WNLAXEUSZHZDHR-UHFFFAOYSA-N 464.614 2.191 30 10 JEEE C#CCSCCn1c(N2CCN(Cc3cnc(C)s3)CC2)nnc1[C@]1(OCC)CCOC1 1760286400 KFSGMRGGHBUIPO-QFIPXVFZSA-N 476.672 2.384 30 10 JEEE C#CCSCCn1c(N2C[C@@H]3[C@H](C2)[C@H](NC(=O)OC(C)(C)C)CS3(=O)=O)nnc1C(C)(C)C 1760286424 LCWDRJBPYHTEJB-BRWVUGGUSA-N 497.687 2.069 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCCCO2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1760306988 LXWUZSJKEUFDOI-LIRRHRJNSA-N 467.368 2.243 30 10 JEEE C=C(C)COCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCNC(=O)[C@@H]1CC 1760355799 WPXNEVXIEBHKDG-FQEVSTJZSA-N 479.585 2.373 30 10 JEEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1760380482 DNAMFLCBWUUWAW-BQFCYCMXSA-N 458.954 2.131 30 10 JEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1c[nH]c2ccccc12 1760465075 WDISSWJEBPDTID-HXUWFJFHSA-N 458.588 2.347 30 10 JEEE C=CCN(Cc1cccs1)c1nnc(CN2CCCC2=O)n1C[C@H]1CCCN1S(C)(=O)=O 1760488328 RSACAVUWAMMJRR-QGZVFWFLSA-N 478.644 2.079 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CC[C@@H](CN2CCOCC2)C1 1760519916 UOTQFOMUWUZGHY-KRWDZBQOSA-N 489.418 2.168 30 10 JEEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1760523076 LQKQDWZSKLFBOT-UHFFFAOYSA-N 485.614 2.027 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 1760552630 VMTPWYPHEYXTPP-GOSISDBHSA-N 461.510 2.404 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H]1c1ccc(OC)c(OC)c1 1760556218 XAYHWFFVZKAGPH-ROUUACIJSA-N 489.598 2.189 30 10 JEEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1760564070 NYVDLRRNYFAVHX-SFHVURJKSA-N 470.647 2.224 30 10 JEEE CCN(c1nnc(COc2ccc(C#N)cc2)n1Cc1cnn(CC)c1)[C@@H]1CCS(=O)(=O)C1 1764823100 GKBBXMLHVAWANL-LJQANCHMSA-N 469.571 2.007 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccc(O)c2)cc1OC 1862571781 OOIBRELLWFTMDU-QFIPXVFZSA-N 468.506 2.320 30 10 JEEE CC(=O)Nc1cccc(-n2nnc(C#N)c2NC(=O)[C@H](C(C)C)N2C(=O)c3ccccc3C2=O)c1 1870143323 HUNJLSKVIOOHJN-FQEVSTJZSA-N 471.477 2.357 30 10 JEEE C=CCn1cc(OCC(=O)Nc2cccc(OC)c2)c(=O)cc1CNc1ccc(S(N)(=O)=O)cc1 1871099687 IPYSUZHNEAMDLP-UHFFFAOYSA-N 498.561 2.320 30 10 JEEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cc(N)c(F)cc2Br)[C@@H](C#N)C1 2162922599 QNJFHTXZQJAQNI-JTQLQIEISA-N 463.329 2.304 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1)[C@H](O)C(C)(C)C 2192859963 MQLLESVNODXPSE-CABCVRRESA-N 464.372 2.015 30 10 JEEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](C)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 2222515829 NQDOCXZIQZTXLI-SAHWJRBASA-N 453.580 2.417 30 10 JEEE C=C(CS(=O)(=O)NCC[C@H]1CN(C(=O)OC(C)(C)C)CCO1)B1OC(C)(C)C(C)(C)O1 2255794176 IKRLDHKNNAWWGB-INIZCTEOSA-N 460.402 2.119 30 10 JEEE CC(C)(C)OC(=O)N[C@@](C)(CO)CNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2266989445 DVLBBVIBJIHTMI-JOCHJYFZSA-N 452.332 2.130 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1C[C@@H](F)C[C@@H]1CNC(=O)OC(C)(C)C 2267599069 JOFUXSLEDJIOSD-JKSUJKDBSA-N 451.348 2.402 30 10 JEEE CC(C)(C)OC(=O)NC1(CNS(=O)(=O)Cc2cccc(B3OC(C)(C)C(C)(C)O3)c2)CC1 2267708325 HZWMPKWCQFIOCX-UHFFFAOYSA-N 466.409 2.463 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@@]2(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2268637760 FOJLPAYZUAQNQR-YEJXKQKISA-N 464.397 2.235 30 10 JEEE CC1(C)OB(c2cc(NC(=O)[C@@](C)(NC(=O)C(F)(F)F)C(F)(F)F)ccn2)OC1(C)C 2268668356 DHCAHIAYNOSNFG-OAHLLOKOSA-N 455.164 2.319 30 10 JEEE CC1(C)OB(c2cnc(CNC(=O)[C@](C)(NC(=O)C(F)(F)F)C(F)(F)F)s2)OC1(C)C 2268670625 XJCPPXJXUHYPLW-AWEZNQCLSA-N 475.220 2.058 30 10 JEEE C[C@H]1CN(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C[C@@H](C)N1C(=O)OC(C)(C)C 2268679013 LDELAYRASPBNRR-BETUJISGSA-N 467.401 2.121 30 10 JEEE COC(=O)C1(C(=O)NC/C=C/B2OC(C)(C)C(C)(C)O2)CCN(C(=O)OC(C)(C)C)CC1 2273741988 VQKXNPZSAMVJHC-FMIVXFBMSA-N 452.357 2.481 30 10 JEEE Cc1c(C(=O)N[C@@H]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281797886 AKYSIFSUKABUNK-HZPDHXFCSA-N 462.400 2.451 30 10 JEEE C[C@H]1C[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)CCN(C(=O)OC(C)(C)C)C1 2281979016 AYHRITDNFYGPEU-HOTGVXAUSA-N 462.400 2.485 30 10 JEEE C[C@H](CNC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1)N1CCN(C(=O)OC(C)(C)C)CC1 2282027773 UWCHDEMAPVAGQY-OAHLLOKOSA-N 480.440 2.113 30 10 JEEE C[C@@H]1CN(C(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C[C@@H](C)C1NC(=O)OC(C)(C)C 2282037480 WCVPZPKHDGPPSU-HUUCEWRRSA-N 462.400 2.341 30 10 JEEE CN(C[C@@H](O)COCc1ccccc1)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2282322222 IOXDHSMCJKRZES-GOSISDBHSA-N 479.379 2.323 30 10 JEEE CCN([C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282492261 OBWCMGLOIFEHGU-LJQANCHMSA-N 474.436 2.004 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](NS(=O)(=O)Cc2ccccc2B2OC(C)(C)C(C)(C)O2)CCO1 2282503155 VRVOSRYBWRUKMH-QGZVFWFLSA-N 482.408 2.346 30 10 JEEE Cn1cc(C(=O)N[C@@]23CCCN(C(=O)OC(C)(C)C)C[C@H]2C3)c(B2OC(C)(C)C(C)(C)O2)n1 2282577327 CVFSRTREKVRATE-IQMFZBJNSA-N 460.384 2.239 30 10 JEEE Cn1nc(C(=O)N2C[C@@H](CNC(=O)OC(C)(C)C)CC2(C)C)cc1B1OC(C)(C)C(C)(C)O1 2282629445 VYNLWPQUQFHXJK-OAHLLOKOSA-N 462.400 2.485 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)[C@@H]2COC[C@H]12 2282655982 FHQFRCTZIGMFTC-BHIYHBOVSA-N 458.364 2.350 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CN(S(=O)(=O)c3ccccc3B3OC(C)(C)C(C)(C)O3)C[C@H]2C1 2282865970 BFPGVTGURIDFHB-IAGOWNOFSA-N 478.420 2.473 30 10 JEEE Cc1nc(S(=O)(=O)NCC[C@H](C)N(C)Cc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)n1C 2282884875 UPNANHJERORMEM-KRWDZBQOSA-N 476.452 2.217 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C2(CC2)C1 2283069275 OQEPSRBRQQUYEQ-HNNXBMFYSA-N 458.368 2.295 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(C(=O)NCc3cnc(B4OC(C)(C)C(C)(C)O4)s3)CO[C@H]1C2 2284133981 XPPMIYZHMGGJPZ-GTQRCTGISA-N 479.408 2.131 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CC(C(=O)N=c3nc(B4OC(C)(C)C(C)(C)O4)[nH]s3)C[C@H](C2)C1 2286597997 ZNKXIWJISZWGTQ-KBPBESRZSA-N 478.424 2.481 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2OCC[C@@]2(C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)C1 2296392217 NUMQYGINZXHWEN-IVZQSRNASA-N 479.408 2.085 30 10 JEEE NC(=O)CSc1nnc(CCCOc2ccccc2)n1N=Cc1cc2c(cc1[N+](=O)[O-])OCCO2 2328725323 ILUWKDHKPRROJP-UHFFFAOYSA-N 498.521 2.429 30 10 JEEE CCCNC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1N=Cc1cccc([N+](=O)[O-])c1 2329011969 DMIHVKPQJOHQPJ-INIZCTEOSA-N 473.559 2.411 30 10 JEEE CC(=O)NCc1nnc(SCCO)n1N=Cc1cc(Br)cc(Br)c1O 2330794752 WVOCGCGTAMJSQV-UHFFFAOYSA-N 493.181 2.111 30 10 JEEE NC(=NO)c1cc(Br)cn(Cc2sccc2I)c1=O 2338687118 UICATFHKEAOVET-UHFFFAOYSA-N 454.087 2.420 30 10 JEEE CC(C)(C)OC(=O)N1CC(ONC(=O)c2cc(F)c(B3OC(C)(C)C(C)(C)O3)cc2O)C1 2339451001 AQNCBLMYWDAPSX-UHFFFAOYSA-N 452.288 2.111 30 10 JEEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)[C@H]2F 2359268182 YKQXAQUCTBOWKH-SYAUCNOPSA-N 464.347 2.317 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H](NC(=O)OC(C)(C)C)C2(CCC2)C1 2362352757 FYKLLTGLRZXQKC-OAHLLOKOSA-N 460.384 2.239 30 10 JEEE N#C[C@H]1C(=O)Nc2nc(NCc3ccc4c(c3)OCCO4)[nH]c(=O)c2[C@@H]1c1ccc([N+](=O)[O-])cc1 72472511 IDAQJRQJYBTPJA-CRAIPNDOSA-N 474.433 2.285 30 10 JEEE C#CCn1/c(=N\C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)sc2cc3c(cc21)OCCO3 101132750 AUPPCOMKYTWPRE-OXBTWTFQSA-N 489.600 2.449 30 10 JEEE COc1ccccc1[C@@H]1/C(=C(/O)c2c(C)n[nH]c2C)C(=O)C(=O)N1CCCN1CCOCC1 102745082 OPLXBRUCQITKMS-SADKCHQCSA-N 454.527 2.179 30 10 JEEE C=C(C)CN(CC)C(=O)Cn1c(=CC(=O)OCC)sc(=Cc2c(F)cccc2Cl)c1=O 254705505 IYYVPNWRZNMRSS-UHFFFAOYSA-N 466.962 2.299 30 10 JEEE CC#CC[C@H](NC(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)OCC)C(=O)O 757200265 KUQPYWRMODTDGN-VXKWHMMOSA-N 478.501 2.440 30 10 JEEE CCOc1ccccc1NC(=O)CSc1n[nH]c(NN=Cc2c(C)nn(CCO)c2C)n1 1084038803 PJDCRCSLKNLHKD-UHFFFAOYSA-N 458.548 2.186 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H]2C[C@H](OC(C)(C)C)[C@@H]2n2cccn2)ccc1F 1128982917 NNMZGSQPVQADIC-ZIFCJYIRSA-N 450.536 2.414 30 10 JEEE C#CCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1286344768 CVNXAJKWTINHFA-LJQANCHMSA-N 474.583 2.160 30 10 JEEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1NC(=O)OC(C)(C)C 1286360226 DSXLKSUGAFPNPZ-OAHLLOKOSA-N 462.576 2.353 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H](C)Oc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1286387487 RTHLGGRIQJXZDB-RTBURBONSA-N 481.578 2.443 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@]1(O)CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1286387798 IIWATWAUWSJJJR-LUQKVYGDSA-N 463.991 2.171 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H](OC)[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1286388930 WYTYLGZECUGOEG-LZNRXBQRSA-N 488.610 2.404 30 10 JEEE C#CCN(c1nnc([C@@H]2COc3ccccc3O2)n1CCN(C)[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1286391191 CWYPSPNUITXVSF-DXIQSLLYSA-N 487.626 2.148 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H](CC)Oc1ccccc1F)[C@H]1CCS(=O)(=O)C1 1286395639 SISIZJPPNCAYPD-CEXWTWQISA-N 476.574 2.405 30 10 JEEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCN(c2ccnc(C)n2)CC1 1286508531 UAIFSBLPADVOBB-UHFFFAOYSA-N 454.629 2.425 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](OCc2ccccc2)C1 1286509219 OBXRCGOCOKVQSF-WOJBJXKFSA-N 460.625 2.342 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CCC(C)(C)C)CC1 1286549512 XSPASYRZOBWNBA-UFYCRDLUSA-N 482.695 2.428 30 10 JEEE C=CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1286773323 BJOBBVQPYGNEDA-UHFFFAOYSA-N 475.475 2.273 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1286802321 AEMJZRMOAXPECE-PXNSSMCTSA-N 461.588 2.017 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc([C@@H](C)Oc2ccccc2F)n1CCN1CCCS1(=O)=O 1288948309 FHSKSTUZRVCYGW-JKSUJKDBSA-N 450.540 2.331 30 10 JEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc([C@@]2(C)NC(=O)NC2=O)cc1 1292637335 ZSXRWOPJFNEDAW-QVKFZJNVSA-N 450.923 2.393 30 10 JEEE CCC[C@](C)(O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1293816836 FIPIMUGJNAXTLP-JPYJTQIMSA-N 455.538 2.118 30 10 JEEE C#CCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1300432505 KKZAYCURZHGKGN-GOSISDBHSA-N 464.492 2.480 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CCSC1(C)C)[C@H]1CCS(=O)(=O)C1 1300506200 PAKVNBLNSKQFOJ-RDGPPVDQSA-N 482.672 2.161 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2C[C@@H](C(CC)CC)N2CCOCC2)CC1 1300703388 IISLXTWPUXVQKE-DEOSSOPVSA-N 465.646 2.156 30 10 JEEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCCN(C(=O)C(C)C)CC1 1300756791 TUBMIUQQDZCKAJ-UHFFFAOYSA-N 458.588 2.067 30 10 JEEE C#CCSCCn1c(CC2CCCC2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1300768612 UQFBZASVNBAANI-FQEVSTJZSA-N 481.688 2.008 30 10 JEEE C=C(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1300927656 WBZHEGTWTGWZOV-IBGZPJMESA-N 472.977 2.265 30 10 JEEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](C(=O)N(C)c2ccccc2)C1 1301251675 GMWOTDWJQKBQKA-ICSRJNTNSA-N 452.559 2.311 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC[C@@H](OCC(F)(F)F)C2)nnc1[C@@]1(OC(C)C)CCOC1 1301517654 AJDOOZDLBVIQAC-OXQOHEQNSA-N 475.512 2.169 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1301577462 JXEUHQKAERSHFN-UHFFFAOYSA-N 485.532 2.441 30 10 JEEE CC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCOCC2(C)C)C1 1301817819 GSNZQAPMYYZLMT-OAQYLSRUSA-N 451.575 2.032 30 10 JEEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCO[C@@H]1C(C)(C)C 1303640093 HQUHFCMYLAYATR-YRXWBPOGSA-N 482.651 2.191 30 10 JEEE C#C[C@H](NC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cn1)c1ccc(Cl)cc1F 1310616192 CLGHYXYCRQHGIC-KRWDZBQOSA-N 452.895 2.391 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC[S@](=O)C(C)(C)C 1358878485 XMDQSNXITLRVQT-DFYVNMARSA-N 465.645 2.201 30 10 JEEE C#CCCCn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 1358931918 SLNFHGOWNZGFBV-GGAORHGYSA-N 463.630 2.494 30 10 JEEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCN1CCN(C)C(C)(C)C1 1358946481 WKAHJMAPUHQYRE-UHFFFAOYSA-N 476.629 2.331 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@H](Cc1ccccc1)OC)[C@H]1CCS(=O)(=O)C1 1358962397 PDHIUJVBLRYSJZ-FKBYEOEOSA-N 472.611 2.404 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(C)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1358965942 DXWWQHFFTBYMMF-NRFANRHFSA-N 482.610 2.132 30 10 JEEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1C[C@H]1CCN(CC)C1)[C@H]1CCS(=O)(=O)C1 1358967989 WZTRAQXLUZZWBU-ICSRJNTNSA-N 492.045 2.479 30 10 JEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](c1ccco1)N(C)C 1358976280 XWNNFBXCFIWDSN-LJQANCHMSA-N 465.583 2.207 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1Cc1ccc(CN2CCCC2=O)cc1 1359024264 JMPSOKIPSGOIAY-QFIPXVFZSA-N 451.571 2.429 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@H]2CCC[C@H](O)C2)CC1 1359042498 IUCAPIPCKOINRR-RXVVDRJESA-N 451.571 2.471 30 10 JEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 1359135639 JYLPQMVJUOYKIV-GOSISDBHSA-N 462.595 2.439 30 10 JEEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1359137645 WELNUDOYGMLROY-GZMKSWLHSA-N 450.580 2.368 30 10 JEEE C=CCn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1359288963 NNEAEDUVBBMRBY-DEOSSOPVSA-N 468.646 2.489 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCN(CC(=O)Nc2c(C)cccc2C)CC1 1359292613 SZWJSJFZASOMKQ-SFHVURJKSA-N 467.618 2.471 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)CCC1CCOCC1 1359299219 YVXPZGUICUNCIQ-UHFFFAOYSA-N 479.585 2.230 30 10 JEEE C=CCNC(=O)Cn1c(N2CC[C@H](OCC=C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1359305910 QKIXKIHXSDNWJB-KSZLIROESA-N 460.579 2.132 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)C1 1359325045 WVXABTKREBYMJP-QZTJIDSGSA-N 462.595 2.437 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@H](C)CC1 1359329579 NTWSJJLKTWXSFV-KRWDZBQOSA-N 456.576 2.148 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N(CC)C[C@@H]1COc2ccccc2O1 1359335989 ANEIOUKKBBLHGT-YLJYHZDGSA-N 462.572 2.397 30 10 JEEE C#CC[C@@]1(C(=O)NC[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)CCCN1C(=O)OC(C)(C)C 1456348310 VJVYDIMUBNFQQK-GOTSBHOMSA-N 451.564 2.268 30 10 JEEE C#CCN(CC(=O)N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](c2cnn(C)c2)C1)C(=O)OC(C)(C)C 1469286234 HXCXQAIKUALGBV-ZWKOTPCHSA-N 461.563 2.110 30 10 JEEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1cccc(C(F)(F)F)c1 1470393454 BCXGFUHKMDXFEX-UXLLHSPISA-N 459.490 2.327 30 10 JEEE C=CCN([C@H](Cc1ccccc1)C(=O)OCC)S(=O)(=O)c1ccc2c(c1)C(=O)N(C)C2=O 1475195183 FPPHANOAEORJLG-HXUWFJFHSA-N 456.520 2.264 30 10 JEEE CNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCC[C@@H]2C)CC1 1503767608 FSKZHWFTBKXFMY-XDHUDOTRSA-N 452.559 2.242 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CC12CCOCC2 1507644632 KEQINSRMZGOCRA-FQEVSTJZSA-N 467.595 2.085 30 10 JEEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(S(C)(=O)=O)cc1 1507695434 YTJXHEMHALSUSI-UHFFFAOYSA-N 457.581 2.181 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCOC[C@@H]1C 1507793750 BQHMIKTYQSRTPV-CUWPLCDZSA-N 475.615 2.402 30 10 JEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2ccc(F)cc2F)C1 1507953630 HSQBRVGSEGKISV-PMACEKPBSA-N 497.568 2.433 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CC[C@@H](C)[C@@H]1C 1508144264 SOIJNIMSXAIOOF-YADHBBJMSA-N 486.686 2.478 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCCN(c2ccccc2)CC1 1508144716 XTITUUFLHPGNJW-UHFFFAOYSA-N 483.642 2.457 30 10 JEEE Cc1nn(C)c(N2CCN(c3nnc(CC4CC4)n3CCN(C)C(=O)OC(C)(C)C)CC2)c1C#N 1511661091 CKLKSDVZFWXWFL-UHFFFAOYSA-N 483.621 2.338 30 10 JEEE C[C@@H]1CCCN1CCn1c(-c2ccc(C#N)cc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1512250544 GAPISKBITRMVSV-GOSISDBHSA-N 471.631 2.161 30 10 JEEE N#Cc1ccc(O[C@@H]2CCN(C(=O)[C@H]3CCCN(S(=O)(=O)Cc4ccccc4)C3)C2)nc1 1523932544 CVBFZZQSGSFENB-LEWJYISDSA-N 454.552 2.175 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1c(C)nn(-c2ccccc2)c1C 1539014552 MENNMMLECCFJSE-APWZRJJASA-N 452.584 2.489 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1Cc1cc(C)nn1C)[C@@H]1CCS(=O)(=O)C1 1539205382 HKKHBKXHAYAHBM-ZWKOTPCHSA-N 486.573 2.274 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1CC(=O)NCc1ccco1 1539242061 ORAXMMAJLHHJJG-UHFFFAOYSA-N 455.316 2.028 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC1(O)CCS(=O)(=O)CC1 1539295470 AZTKWHLPOAJINT-SFHVURJKSA-N 491.013 2.474 30 10 JEEE C#CCN(CCOC)c1nnc(Cc2ccsc2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1539421794 YHMIAELOXVDIHD-WOJBJXKFSA-N 477.656 2.221 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(F)ccc3Br)n2CCS(=O)(=O)CC=C)CC1 1539434438 LOYADZHTQDZJOA-UHFFFAOYSA-N 496.406 2.203 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@]2(O)CCOC2)CC1 1539468730 HVTVWSVQVBKGCE-RXFWQSSRSA-N 481.597 2.152 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(CCC(N)=O)CC1 1539644263 GIDPCMRCZHGPDL-KIZRIRGWSA-N 461.607 2.465 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1539915863 FGFRVESIYPISGT-FCGDIQPGSA-N 467.636 2.075 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Br)cc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1540899056 BWEILXXEIFMKLH-WBVHZDCISA-N 494.415 2.023 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCS[C@@H](C(C)C)C1 1540901440 DJQYHVHEYCOKOP-QGZVFWFLSA-N 467.617 2.184 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCN(C)c3ccccc3C2)nnc1[C@]1(OC(C)C)CCOC1 1540908697 LUVNWSNGBMAOQP-DEOSSOPVSA-N 489.642 2.376 30 10 JEEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCNC(=O)c2occc2C)CC1 1540998002 KRZMRWUXWKRRQB-UHFFFAOYSA-N 491.552 2.119 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCCN1CCOC1=O 1541103694 FDQKZMWJRSCVPS-HNNXBMFYSA-N 459.938 2.300 30 10 JEEE C[C@H](CC#N)N(C)c1nnc(COc2ccc(Br)cc2)n1CC(=O)N1CCOCC1 1541806270 HSMABOQSUNNADZ-OAHLLOKOSA-N 477.363 2.217 30 10 JEEE Cc1ccc(SCCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@@H](C)C#N)cc1 1542515806 HHNDNNKOTBPVIS-HKUYNNGSSA-N 478.644 2.308 30 10 JEEE CC(C)N1CCN(C2CCN(S(=O)(=O)c3cc(Br)cc(C#N)c3)CC2)CC1 1561432372 BCUJYUULQHXEBG-UHFFFAOYSA-N 455.422 2.500 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H](N1CCOCC1)C(F)(F)F 1587602980 FJLQXBPBMKYRDM-KXBFYZLASA-N 465.476 2.437 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCn1ccc2ccccc21 1588385594 ISRLSTHGFPEIEL-NRFANRHFSA-N 470.599 2.116 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCOC[C@@H]1OC 1588472984 JYOWWQUBNKHNKT-CTNGQTDRSA-N 455.534 2.345 30 10 JEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(n2ncc3ccccc32)CC1 1588985601 VITGWLLSXORSHS-QGZVFWFLSA-N 487.655 2.446 30 10 JEEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1 1589394656 LSUCCCCDBDUANJ-BEFAXECRSA-N 450.312 2.375 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1589505154 LFZUUYDQIDHGIG-YYWHXJBOSA-N 470.599 2.268 30 10 JEEE Cc1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1612590390 GMXHUTMOIYHUHF-QHCPKHFHSA-N 464.618 2.118 30 10 JEEE CC#CCS(=O)(=O)c1cccc(C(=O)N(C)Cc2nnc3n2C[C@H](C(F)(F)F)CC3)c1 1644737695 PTSMEZDWNVYARN-OAHLLOKOSA-N 454.474 2.472 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1Cc1ccc(OC)nc1OC)[C@H]1CCS(=O)(=O)C1 1689984722 UCQCYIADFHWNDP-IBGZPJMESA-N 497.577 2.041 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCC[C@@H]1CC)[C@@H]1CCS(=O)(=O)C1 1689998225 GGPZSVVZCBKGHD-FCMAGTKHSA-N 464.632 2.455 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCC(=O)N[C@H](C)CC 1690037592 YFGQRPSVMISISV-GOSISDBHSA-N 455.584 2.116 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1([S@](C)=O)CC1 1690102047 AUWLLEPKLHIEDL-XHVUARLKSA-N 479.647 2.390 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2Cc2ccc(C(=O)NCC)cc2)CC1 1690142212 KBSIGQNLWXPYPF-UHFFFAOYSA-N 471.565 2.104 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(CC)CC)n1C[C@@H](N1CCOCC1)C(F)(F)F 1690188085 DHODPSUBVWAOFC-DYESRHJHSA-N 470.540 2.452 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1690242897 DVHYZJLJJBEACG-ICSRJNTNSA-N 456.595 2.244 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1690248841 QJJQTEMPAQMADA-SJBKTWHCSA-N 495.690 2.479 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1ccccc1)C[C@@H]1CCCO1 1690288126 JATJLFCIIOMLBP-SFTDATJTSA-N 475.615 2.373 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccc(C)n(C)c2=O)C1 1690688117 ORVYBMSDCUSYSO-GBXCKJPGSA-N 457.575 2.155 30 10 JEEE CC(C)(O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1691361209 AUBJWEIGCVVZJX-UHFFFAOYSA-N 494.987 2.226 30 10 JEEE Cc1ccc(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(CC#N)CC2)cc1 1693077566 BYFPLIKAGLAWSQ-NRFANRHFSA-N 472.615 2.292 30 10 JEEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCCn1cc(Br)cn1 1694734598 HXOHMZWPCHVBEI-UHFFFAOYSA-N 487.410 2.130 30 10 JEEE CS[C@@H](C)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1698344231 CKCKWKJOPCFQOR-INIZCTEOSA-N 457.579 2.489 30 10 JEEE C#CCCCn1c(Cc2csc(C)n2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1705536136 IZSRVWGTDVDWFN-UTKZUKDTSA-N 455.632 2.036 30 10 JEEE C#CCN(c1nnc(COCC)n1Cc1cc(F)ccc1SC)[C@H]1CCS(=O)(=O)C1 1705568421 NFPZDHMBSXBULM-KRWDZBQOSA-N 452.577 2.351 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2Cc2ccc(NC(C)=O)nc2)CC1 1705640753 DMAFPOUWALRVSY-UHFFFAOYSA-N 459.554 2.034 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CCCNc2ccccn2)CC1 1705650665 WPJKTZNBYLQWHD-UHFFFAOYSA-N 458.570 2.127 30 10 JEEE C=CC[C@@H](Cn1c(Nc2ccn(C)n2)nnc1[C@H]1CN(S(C)(=O)=O)CCO1)c1ccccc1 1705797895 GFQMMRUEUWLGKC-RBUKOAKNSA-N 471.587 2.448 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1NC(=O)CC1(C)C 1705878235 LQSCUXNJRCANPC-VQTJNVASSA-N 471.627 2.330 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H]1[C@@H]1CCCO1 1705931679 XOZQXMDAIWIABF-PMACEKPBSA-N 494.639 2.097 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H]1CCCOC1)[C@H]1CCS(=O)(=O)C1 1722360064 YUNPUJYIYZFDQA-FPOVZHCZSA-N 485.610 2.201 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CCN(C)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 1722363752 BQFPKSIDDSEALE-QFIPXVFZSA-N 470.643 2.155 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(F)cc2Br)n1C[C@H]1CCS(=O)(=O)C1 1722376911 HSMRTKRYUPKAOR-CQSZACIVSA-N 465.348 2.354 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C(F)F)c1 1722413344 LLDNYDUJNXEIQW-KRWDZBQOSA-N 453.515 2.056 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(Br)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1722422196 PRWWBMDTSZBLFH-INIZCTEOSA-N 496.431 2.075 30 10 JEEE C#CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CCC[C@@H](O)C1 1722423211 ZUYUMANYHZSHFF-RTBURBONSA-N 474.631 2.184 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CC[C@](C)(CC)O2)CC1 1722441562 SMGKIJBRVFAWGF-DFBJGRDBSA-N 479.585 2.239 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1722449378 QOHDLVVKBLHIHE-NRFANRHFSA-N 480.588 2.232 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)ccc3C)n2CCN2CCSCC2)CC1 1722449838 QKKVWAZUPWAJBO-UHFFFAOYSA-N 496.681 2.489 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2CCN2CCC[C@@H]2C)CC1 1722450647 OLLUXESVEVDXIZ-IBGZPJMESA-N 468.577 2.446 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2ccco2)C1 1722588218 NFARNLNDUBJDPJ-MOPGFXCFSA-N 479.603 2.384 30 10 JEEE C=CC[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1)c1ccccc1 1722595079 UANGXMIWGMEDSD-AABGKKOBSA-N 472.615 2.107 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCn2ccnc2C1 1722655008 BIYQOQOEHWNHKO-NQIIRXRSSA-N 494.625 2.412 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCCN(C(=O)C(C)C)CC1 1722694721 FRDKOVZLTBUNCE-UHFFFAOYSA-N 461.570 2.490 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc3cccnc23)n1CCNS(=O)(=O)Cc1ccon1 1740545716 OXEBQSITJPEZJK-MRXNPFEDSA-N 465.539 2.059 30 10 JEEE C#CCCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1740577306 ZEJRPEYOPBEWQI-HSZRJFAPSA-N 484.670 2.070 30 10 JEEE C#CCN(c1nnc([C@H](C)OCCOC)n1Cc1ccc(F)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 1740617786 XIHWLKPLWIUURR-DOTOQJQBSA-N 484.981 2.470 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Cl)n2C[C@](C)(O)CCOC)CC1 1740704076 JWUBYGNLGRYTNH-HSZRJFAPSA-N 459.978 2.352 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1740762694 VRKXNMDCFFDXIR-MTSZKFMLSA-N 478.537 2.317 30 10 JEEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCC(c2nnc3n2CCCC3)CC1 1740786541 HNJUNEBRKYEWLT-UHFFFAOYSA-N 456.595 2.321 30 10 JEEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1740821625 HSDWPNDKLPLNAM-DNVCBOLYSA-N 462.016 2.005 30 10 JEEE C=CC1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCN(C)CCOC)CC1 1740837881 YRYSUGWUQDQNHA-UHFFFAOYSA-N 451.575 2.173 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(C)OCCc2sccc21 1740932242 KCZKMZLVDYKQEJ-AVRDEDQJSA-N 493.655 2.339 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC(S(C)(=O)=O)CC1 1740954544 OJHGBSKPWLMXPB-HNNXBMFYSA-N 477.656 2.447 30 10 JEEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)C[C@@H]1c1cccc(OC)c1 1740963613 QTBVUQNOJKBIGG-FXAWDEMLSA-N 452.559 2.299 30 10 JEEE C=CCNC(=O)Cn1c(N2CCCN(C(C)C)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740966466 YOFXIPRAVVJEIW-KDURUIRLSA-N 475.638 2.272 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC2(NC(=O)OC(C)(C)C)COC2)C1 1740972339 HBOWVWJASHGNDN-MHECFPHRSA-N 493.605 2.005 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@H](C(=O)OC)C1 1740985830 MROJKGDOAKLSJU-SFHVURJKSA-N 489.598 2.137 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCS[C@@H](CC)C1 1740992409 PHZZXCCJPHTTPH-IBGZPJMESA-N 491.687 2.385 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CCN2CCCC[C@@H]2C1 1740993471 BMZSDWQZYCUFJC-LJQANCHMSA-N 463.579 2.272 30 10 JEEE C[C@@H]1CN(C(C)(C)Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@H](C(N)=O)C2)C[C@@H](C)O1 1743196359 APUPLQSMHPXROB-MBOZVWFJSA-N 451.575 2.016 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1c(F)cccc1F)N(C)C 1748673019 YJYTUOIRSKCUIE-MPGHIAIKSA-N 451.543 2.219 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccc(C)cc1OCC1CC1)[C@H]1CCS(=O)(=O)C1 1748801717 DXMXNQZBFCLGEV-NRFANRHFSA-N 499.637 2.189 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H](C(CC)CC)N(C)C)[C@H]1CCS(=O)(=O)C1 1748811883 NFUMEPKFADLTIV-FPOVZHCZSA-N 458.632 2.333 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1Cc1cc(C)nn1C)[C@@H]1CCS(=O)(=O)C1 1748824979 VAFLUMMSKZVISZ-HXUWFJFHSA-N 482.610 2.191 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1CCCc1c[nH]nc1C)[C@H]1CCS(=O)(=O)C1 1748825389 YEKDPJJHGQVSNC-IBGZPJMESA-N 486.573 2.287 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(Br)c2)n1CC(=O)NCC(F)(F)F 1748829154 WTZCDLRUIYYOLC-UHFFFAOYSA-N 454.250 2.459 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1CC1(N2CCOCC2)CCCCC1 1748868139 RMBRRAYJERITGQ-AREMUKBSSA-N 469.630 2.428 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCN(C(C)C)C(C)C)CC1 1748994313 DIAIQAMFYFSNGH-UHFFFAOYSA-N 457.648 2.144 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCCN2CCCC2)CC1 1749003815 XAMAZXUHTMOYID-UHFFFAOYSA-N 480.613 2.414 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(N(C)C)cc2C)CC1 1749011032 YKDSXHUQHRVJAX-NRFANRHFSA-N 450.587 2.171 30 10 JEEE C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccs1 1749103931 HKPUCBRVHMKEBA-CQSZACIVSA-N 476.422 2.218 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1749115246 OFKWTZXQQDARHI-QKNQBKEWSA-N 460.623 2.087 30 10 JEEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](C)CN1CCN(CC)CC1 1749482701 MNVNPSMRXSHNCS-IBGZPJMESA-N 474.679 2.134 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@H](Oc2ccccn2)C1 1749660332 NMUODYDZRFLCHL-SFHVURJKSA-N 464.526 2.317 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N(C)CC(=O)Nc1cc(F)cc(F)c1 1749667250 WCXUQYDRXOBGQU-UHFFFAOYSA-N 455.469 2.304 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1749724657 MSPGAOGXJFXBHH-HXUWFJFHSA-N 457.600 2.309 30 10 JEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1749755875 NGMOZTOILGYWRT-GOSISDBHSA-N 490.630 2.437 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OCCC)c(OC)c2)n1CCN1CCCS1(=O)=O 1760106391 BXYCNHNNPYEOOO-KRWDZBQOSA-N 461.588 2.236 30 10 JEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1C[C@@H](C)SC)[C@H]1CCS(=O)(=O)C1 1760191884 OKOXBZIKZAPDRN-MJGOQNOKSA-N 462.641 2.450 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(OC)c2)n1CC1(N2CCOCC2)CC(OCC)C1 1760197137 QWCVBEGJGYUFCZ-UHFFFAOYSA-N 463.582 2.296 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CC(F)(F)C2(OC)CCOCC2)CC1 1760267843 CEYIKTUYZOHEPM-UHFFFAOYSA-N 490.555 2.080 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CCC(=O)NC)CC1 1760271414 XDQWZPLZSGHOBH-UHFFFAOYSA-N 493.395 2.266 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(O)(C(F)(F)F)CC1 1760272699 SIILSKSABFUSID-UHFFFAOYSA-N 454.478 2.185 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@]1(O)CCS(=O)(=O)C1 1760339194 ZVOVXHNVKLQBGT-JPYJTQIMSA-N 497.662 2.345 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(c2ccc(O)cc2)CC1 1760346045 FOSDZPAIJVQHRP-HXUWFJFHSA-N 461.588 2.277 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCOc2c(C)cccc2C)CC1 1760389168 FIRUMDNGMQQWEM-FQEVSTJZSA-N 475.615 2.463 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1760517247 HSNFXDKAIRQGNR-INIZCTEOSA-N 462.501 2.153 30 10 JEEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCC(CC(=O)N2CCN(CC)CC2)CC1 1760523677 FORWYVAYZJCPKZ-UHFFFAOYSA-N 471.650 2.009 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCOc2ccc(Cl)cn2)C1 1760544399 ZAVUXEKSVGCBKM-RDJZCZTQSA-N 467.979 2.089 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 1760552628 VMIAMKZYLJHXJV-INIZCTEOSA-N 464.592 2.225 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@@H](C(F)(F)F)C1 1760553730 YTJZMZOSXIHTNS-MRXNPFEDSA-N 474.461 2.042 30 10 JEEE CSC1(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@H](C)CC(N)=O)CCN(C)CC1 1771416210 FMELEJZCNHRTPV-QGZVFWFLSA-N 471.631 2.256 30 10 JEEE CN(C)CCCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1862568432 OYAQFXIYEMOQTP-NRFANRHFSA-N 482.493 2.478 30 10 JEEE CCN(CC)CCNC(=O)c1ccc(-n2nnc(C#N)c2NC(=O)Cc2ccc(OC)cc2)cc1 1870160204 GFPRHLPVVPXDKI-UHFFFAOYSA-N 475.553 2.400 30 10 JEEE CC(C)N1C(=O)CS[C@H](C(=O)N2CCC(NS(=O)(=O)C3CC3)CC2)[C@H]1c1ccc(C#N)cc1 1891402098 SEFVFCOMUBIOLB-YADHBBJMSA-N 490.651 2.025 30 10 JEEE N#Cc1ncccc1OC1CN(C(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)C1 1891878213 AIWZZWGJHSCAJE-UHFFFAOYSA-N 460.943 2.297 30 10 JEEE COC(C)(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2180990239 CWTSEMLQFUUZFC-OAHLLOKOSA-N 464.372 2.423 30 10 JEEE CC(C)(C)OC(=O)N1CC(c2nc(=NCc3ccc(B4OC(C)(C)C(C)(C)O4)cc3)[nH][nH]2)C1 2184131370 MBCOMWHHZQKDFY-UHFFFAOYSA-N 455.368 2.472 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2247901527 LSKKBFKGYKEFSP-KGLIPLIRSA-N 458.411 2.132 30 10 JEEE CC1(C)OB(c2ccc(C(=O)N3CC(NC(=O)OCc4ccccc4)C3)c(O)c2)OC1(C)C 2247986197 RTUSPWSXYISPSN-UHFFFAOYSA-N 452.316 2.442 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H](C)CNC(=O)OC(C)(C)C 2255747617 OGMLTPPUKQFPMX-HNNXBMFYSA-N 454.398 2.486 30 10 JEEE CC1(C)OB(c2cccc(CS(=O)(=O)NC3CN(C(=O)OCc4ccccc4)C3)c2)OC1(C)C 2255801262 ZPSJHRIPYKTHMI-UHFFFAOYSA-N 486.399 2.426 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)Nc1nc(B2OC(C)(C)C(C)(C)O2)ccc1Cl 2256626918 PKXDVPIFLXNNFG-SMDDNHRTSA-N 455.748 2.247 30 10 JEEE COc1ccc(S(=O)(=O)NCCCNC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2267466863 IJCQPMQYYYCQHI-UHFFFAOYSA-N 470.397 2.188 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@H](C)NC(=O)OC(C)(C)C 2267467602 FFAIBVZBOBLJMO-AWEZNQCLSA-N 470.397 2.186 30 10 JEEE C=C(CS(=O)(=O)N[C@@H]1CO[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1)B1OC(C)(C)C(C)(C)O1 2267469991 DDLFODMYFPJLHP-KKSFZXQISA-N 472.413 2.262 30 10 JEEE CN(CCCCCNC(=O)OC(C)(C)C)C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2267483172 OOAVASISPQQKJD-UHFFFAOYSA-N 450.389 2.486 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](OCC(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)C1 2268712910 YDANPLABQOTXOO-AWEZNQCLSA-N 467.397 2.085 30 10 JEEE C[C@@H]1CCN(C(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)[C@H](C)[C@@H]1NC(=O)C(F)(F)F 2281799941 BWOJRJSRISZSPK-XJKCOSOUSA-N 455.286 2.298 30 10 JEEE C[C@H](NC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1)c1csc(NC(=O)OC(C)(C)C)n1 2281956111 UDPGKUIYBBVSPC-NSHDSACASA-N 478.384 2.409 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@]12CC[C@@H]1CN(C(=O)OC(C)(C)C)C2 2282005979 SIHXATDLYRWJGH-CMJOXMDJSA-N 460.384 2.157 30 10 JEEE Cn1cc(C(=O)N2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)nc1B1OC(C)(C)C(C)(C)O1 2282053670 WQEGSIGBPJJIHU-JKSUJKDBSA-N 460.384 2.048 30 10 JEEE CC(C)(C)OC(=O)NC[C@]12CN(C(=O)c3ccoc3B3OC(C)(C)C(C)(C)O3)C[C@H]1CCO2 2282200385 ORCBUNDHWRNMCU-CMJOXMDJSA-N 462.352 2.335 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)Nc1ccc(NC(=O)OC(C)(C)C)nc1 2282329667 PTZMVWZMWIAMLH-UHFFFAOYSA-N 479.368 2.262 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C2CC2)n1 2282532992 FYNCZJWUSJTYER-WMZOPIPTSA-N 460.384 2.237 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@H](C2CN(C(=O)OC(C)(C)C)C2)C1 2282535204 KYYQVGJSYLHPBE-HNNXBMFYSA-N 460.384 2.048 30 10 JEEE CC(C)(C)OC(=O)N1C[C@]2(C)CN(C(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)C[C@@]2(C)C1 2282579920 LUOMJEFSJXUSKU-GOTSBHOMSA-N 460.384 2.428 30 10 JEEE CC[C@@H]1CC[C@@H](NC(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)CN1C(=O)OC(C)(C)C 2282612357 SWFAXDVHCNIXKQ-HUUCEWRRSA-N 463.388 2.022 30 10 JEEE CCCN(C1CN(C(=O)OC(C)(C)C)C1)S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282830052 OPWKNSUIXOEMIR-UHFFFAOYSA-N 481.424 2.401 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@](Oc2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)(C(N)=O)C1 2283013971 XPPXGCMKYRSQDM-HSZRJFAPSA-N 461.368 2.202 30 10 JEEE CC(C)(C)OC(=O)N(CCO)CC(=O)N1CCCc2cc(B3OC(C)(C)C(C)(C)O3)ccc21 2283947811 FOTDIMOECPXKSO-UHFFFAOYSA-N 460.380 2.494 30 10 JEEE CC(C)(C)OC(=O)NCc1ncc(C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)cn1 2283950847 PNOFUTXJJPEYMA-UHFFFAOYSA-N 455.324 2.448 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@H](C(=O)N[C@@H]3CCC=C3B3OC(C)(C)C(C)(C)O3)O[C@@H]2C1 2284120041 TXQBKPVWELXIOM-XMTFNYHQSA-N 464.368 2.226 30 10 JEEE CN(Cc1ccccc1)C[C@H](NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284410192 SIQOYIPHLRAGFF-SFHVURJKSA-N 494.444 2.052 30 10 JEEE COc1ccc(C=NNc2cnn([C@H]3CCS(=O)(=O)C3)c(=O)c2Cl)c(Br)c1O 2322615547 AVAIJEJEGMZZES-JTQLQIEISA-N 491.751 2.179 30 10 JEEE COc1ccc(N2C[C@H](c3nnc(SCC(N)=O)n3N=Cc3ccc(F)cc3)CC2=O)cc1 2325880765 JOWDBUZFYCSIGO-OAHLLOKOSA-N 468.514 2.406 30 10 JEEE COC(=O)CSc1nnc([C@H]2CC(=O)N(c3ccc(OC)cc3)C2)n1N=Cc1ccncc1 2325881673 JMSVSUSNORTVEU-INIZCTEOSA-N 466.523 2.350 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]2CC[C@H]1N2C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2359268760 IGPNIXWTLXFMCL-YQQAZPJKSA-N 458.368 2.294 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)N2CCc3scc(B4OC(C)(C)C(C)(C)O4)c3C2)C1 2361645634 JEPPZFZDSMYHDV-QHCPKHFHSA-N 478.420 2.304 30 10 JEEE C[C@@H](NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 2362462088 SBEHHLRVNGSYCL-HZPDHXFCSA-N 462.400 2.485 30 10 JEEE C=CCn1c(C)cc(C(=O)COC(=O)[C@H](NS(=O)(=O)c2ccc(C)c(C)c2)[C@H](C)O)c1C 9084138 AYLGKNRZILNZRP-PGRDOPGGSA-N 462.568 2.362 30 10 JEEE Ic1ccc(/C=N/Nc2nc(N3CCCC3)nc(N3CCOCC3)n2)cc1 27471224 QAUOIXWYAKBGIX-DEDYPNTBSA-N 479.326 2.359 30 10 JEEE C#CCN(C(=O)c1cccc(S(=O)(=O)N(CC)c2ccccc2)c1)[C@@H]1CCS(=O)(=O)C1 729330634 GNULYOBVFBCCMP-HXUWFJFHSA-N 460.577 2.164 30 10 JEEE COc1ccc(C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)cc1S(=O)(=O)NC(C)C 1126549218 CRSPMPOCHWDMNN-UHFFFAOYSA-N 454.512 2.146 30 10 JEEE C=CCOc1cccnc1C(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2OC)CC1 1126964404 PBXXPUHHPXTFBZ-UHFFFAOYSA-N 451.932 2.455 30 10 JEEE CCOC(=O)C1=NN(c2ccccc2)[C@H](C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 1127911347 CKWMDSVMKDADPO-UNMCSNQZSA-N 459.506 2.368 30 10 JEEE CC(=O)N1CCc2c(sc(NC(=O)c3cn(C)nc3I)c2C#N)C1 1131405678 NAKPSJGNUOGOMF-UHFFFAOYSA-N 455.281 2.115 30 10 JEEE COC(=O)[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)c1ccc2ccccc2c1 1137751715 GLDMDNAYOFJUSV-QVKFZJNVSA-N 451.504 2.409 30 10 JEEE CC(=O)c1cccc(S(=O)(=O)NCC(=O)N[C@H](C#N)c2cccc(Br)c2)c1 1151050084 KJOYBHCPGQNWIB-QGZVFWFLSA-N 450.314 2.311 30 10 JEEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2CC(=O)N(C3CC3)[C@H]2c2cccc(OC)c2)n1 1271204320 IKFSUARIWJFZCH-VWNXMTODSA-N 450.539 2.252 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1cccc(CO)c1)[C@H]1CCS(=O)(=O)C1 1286398160 HDPCSVMUVFVDQD-BHDDXSALSA-N 486.638 2.364 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1cccc(C(=O)N[C@H](C)CC)c1)[C@H]1CCS(=O)(=O)C1 1286398830 QODAFPKFILGZBO-BVYCBKJFSA-N 499.637 2.333 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@H]1CCCN1S(C)(=O)=O 1286461951 ACANSYVSMPJANN-LJQANCHMSA-N 484.582 2.110 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC2(S(C)(=O)=O)CCC2)CC1 1286471033 GICOBOZTFVJDQC-GOSISDBHSA-N 475.590 2.280 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1286634583 YPCFQOVVGKPTCE-BZUAXINKSA-N 450.971 2.422 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(Cl)cc2OC)C1 1286800702 PLHMGYHAMTUNPZ-YOEHRIQHSA-N 469.995 2.380 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CC[C@@](C)(C(=O)NC)C2)nnc1C1(c2ccccc2)CCC1 1286825507 RKYIPTJZBGCSRH-HSZRJFAPSA-N 471.627 2.311 30 10 JEEE CC(C)NC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccoc2)CC1 1288253851 CFKWKWQGSXJSGD-UHFFFAOYSA-N 463.542 2.017 30 10 JEEE Cc1ccc(Cn2c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CCO[C@@H](C#N)C2)c(=O)n1C 1289678389 BCYIPOHQPIYUAR-ICSRJNTNSA-N 497.600 2.177 30 10 JEEE Cc1csc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@H](S(C)(=O)=O)C2)n1 1290353317 HOOPYQCFXNEHEQ-KRWDZBQOSA-N 458.569 2.165 30 10 JEEE Cc1cc(C)n(Cc2nnc(N3CCN(c4ccc(C#N)cc4F)CC3)n2C[C@H](C)N(C)C)n1 1290645055 DJDVGVSOMHBCKO-IBGZPJMESA-N 465.581 2.427 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@]1(O)CCS(=O)(=O)C1 1300284362 ZFQUWIVKKUXZBX-GAJHUEQPSA-N 470.551 2.125 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CC2(N(C)C)CCCC2)c1 1300332378 CUEAKXSUFMQZHX-FQEVSTJZSA-N 463.586 2.160 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1CCc1ccc(N(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 1300487677 LBVLRDCFXZCXCH-OAQYLSRUSA-N 464.595 2.276 30 10 JEEE C#CCN(c1nnc(CC)n1CC1CCN(Cc2ccccc2)CC1)[C@H]1CCS(=O)(=O)C1 1300498314 IYJXOMUXFQEVCK-QFIPXVFZSA-N 455.628 2.379 30 10 JEEE C#CCN(c1nnc(COCC)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1300504415 NIXWFDWSQAJLBS-ZCNNSNEGSA-N 465.664 2.198 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1ncccc1N(C)C 1300527985 NHZHVIWVWOZOBB-UHFFFAOYSA-N 466.549 2.257 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C(F)F)c1 1300578779 OZPVONLDKDHWJR-IBGZPJMESA-N 477.537 2.060 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(OC)CCCCC1 1300654599 ANDJYGQGNRHTQQ-UHFFFAOYSA-N 450.547 2.356 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCc2cc(F)cc(F)c2)CC1 1300682093 HFVQVGMVKLSTLK-UHFFFAOYSA-N 451.481 2.202 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(OC(F)F)cc2)CC1 1300710999 RJVIZMKSRKDMKW-UHFFFAOYSA-N 474.512 2.032 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3COc4ccccc4O3)n2C[C@@H](C)N(CC)CC)CC1 1300724693 BZCIHPGRBOICAK-AUSIDOKSSA-N 480.613 2.487 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CCN(CC)C(=O)OC(C)(C)C)CC1 1300726769 PZTPWQSBDAIGTL-UHFFFAOYSA-N 495.628 2.487 30 10 JEEE C=C(C)COCCn1c(N2C[C@@H]3[C@@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]3C2)nnc1C(C)(C)C 1301002433 ZMARHUZDMDZQNH-SQNIBIBYSA-N 497.662 2.295 30 10 JEEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccc(OCCN(C)C)c2)CC1 1301085431 JWGRFOYFYQFUPA-FQEVSTJZSA-N 459.616 2.325 30 10 JEEE C=CCN(CC=C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCN1C(=O)OC(C)(C)C 1301371483 DCAGDLMLIZICCI-DLBZAZTESA-N 468.624 2.466 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC[C@@H](CNC(=O)c2ccccc2)C1 1301506030 FMDMOJBYCIEXBU-NRFANRHFSA-N 473.581 2.213 30 10 JEEE Cc1c(Cn2c(-c3cccc(C#N)c3)nnc2N(C)Cc2ncnn2CC(F)F)cnn1C 1304108890 ATJVZKHSZKGPMQ-UHFFFAOYSA-N 452.473 2.400 30 10 JEEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC[S@](=O)C(C)(C)C)CCO1 1315949204 ARJCRYVEBKBAGF-GTJUCTONSA-N 461.588 2.128 30 10 JEEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C(C)C)N2CCOCC2)C[C@@H]1C 1316125976 AYWRPRLOTMWHTB-XUZZJYLKSA-N 481.645 2.330 30 10 JEEE C#CCN(c1nnc(-c2ccccc2F)n1Cc1ncccc1N(C)C)[C@H]1CCS(=O)(=O)C1 1358959858 QZUHVBCNXXDLBZ-KRWDZBQOSA-N 468.558 2.220 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CC(=O)NC(C)C)CC1 1359039087 WRKXCXHJSCVJRP-UHFFFAOYSA-N 465.385 2.444 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2Cc2ccccc2CN2CCC[C@H]2CO)CC1 1359041534 ZXFOGOTVXQIEBW-DEOSSOPVSA-N 478.641 2.372 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(CC)cc3)n2CCN2CCOC[C@H]2C)CC1 1359042495 ITTVGTSMMJUBHK-HXUWFJFHSA-N 464.614 2.194 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@@](C)(O)c2cccc(Cl)c2)CC1 1359043722 FPSFSLCZIJFYIK-XMMPIXPASA-N 479.972 2.262 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccccc2C)nnc1N(C)CC(=O)N1CCOCC1 1359101397 NVLADLCQGBFXFT-XUZZJYLKSA-N 453.587 2.454 30 10 JEEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc(C)cc2)C(=O)C1 1359222082 XLFJZNHAHJPCPJ-UHFFFAOYSA-N 452.559 2.268 30 10 JEEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 1359303155 FXNWQJRMSXPEEK-IFMALSPDSA-N 479.629 2.192 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCN(C(=O)OC(C)(C)C)C2CC2)C1 1359320453 QQITZPZOEQGBLQ-QZTJIDSGSA-N 460.579 2.410 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1359328500 FZIZXMPLTXPILP-GOSISDBHSA-N 463.991 2.400 30 10 JEEE C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)N1CCCN(c2ccccc2C#N)CC1 1459435927 IFPBBKBYZBCHNM-SFHVURJKSA-N 455.584 2.348 30 10 JEEE C=C[C@@H]1OCCC[C@H]1NC(=O)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1470238178 GGCYRKLTVUXHHX-FYQPLNBISA-N 477.606 2.297 30 10 JEEE COc1ccc(CCc2nnc(N3CCO[C@@H](C#N)C3)n2CCS(=O)(=O)C(C)(C)C)cc1 1504230484 HVVWNBOJCHCVNV-IBGZPJMESA-N 461.588 2.014 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCNC(=O)C(C)C 1507539354 VDXLTSPWTYKEFP-ROUUACIJSA-N 462.595 2.207 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCO[C@@H]2C(C)C)c1 1507550555 MOFHGRFKPVTAOU-TXTKFYIRSA-N 499.637 2.298 30 10 JEEE C#CCN(c1nnc(-c2cn(C)c3ccccc23)n1CCC(=O)N[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1507631734 SNKDNPXWOQREJZ-RBUKOAKNSA-N 496.637 2.368 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1Cc1cnccc1OC)[C@H]1CCS(=O)(=O)C1 1507633231 DTBSRZNGGJOONY-FQEVSTJZSA-N 469.542 2.087 30 10 JEEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ccc(NC(N)=O)cc1 1507711555 WXIYVAKQNXAOSG-UHFFFAOYSA-N 489.584 2.077 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccc(CSC)c2)CC1 1507733540 BXDLSHLPOBGATA-UHFFFAOYSA-N 468.627 2.293 30 10 JEEE C=CCCOCCn1c(N2C[C@H](C)OC3(CCOCC3)C2)nnc1[C@]1(OCC)CCOC1 1507965708 IHMQIMIQYYZQDQ-CVDCTZTESA-N 450.580 2.297 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1508078424 AJVVPIKYYJWXSJ-UHFFFAOYSA-N 450.465 2.142 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Br)n2CC(=O)N2CCOCC2)C1 1508111632 HMQKBEKIHKBVAH-MRXNPFEDSA-N 476.375 2.348 30 10 JEEE C[C@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H](c1ccco1)N(C)C 1512389675 GECCJOVIBSIDFT-FXAWDEMLSA-N 463.542 2.292 30 10 JEEE CS(=O)(=O)C1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(CC(F)(F)F)CC2)CCC1 1519503351 AXNQBQMUAZERLZ-UHFFFAOYSA-N 482.532 2.468 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1c[nH]c2c(C)cccc12 1539016321 TWOSJWWLKFVNTK-FXAWDEMLSA-N 470.599 2.101 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCCNc1ccccn1)[C@@H]1CCS(=O)(=O)C1 1539206684 URPVOZHKVJVCIV-HXUWFJFHSA-N 480.594 2.478 30 10 JEEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1CCCN(C(C)=O)C1 1539323686 JFSKCEXXCRBJIE-JOCHJYFZSA-N 474.613 2.174 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCOc2ncccc2F)CC1 1539436650 YFRBOYHUCAKOAJ-UHFFFAOYSA-N 466.517 2.331 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)CN1CCCCC1 1539669177 MRRRAZSORPSQLH-VQTJNVASSA-N 468.668 2.135 30 10 JEEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1539758652 QFQZZYUJBCVOHF-SJORKVTESA-N 458.588 2.110 30 10 JEEE C=C(C)COCCn1c(N2CCN(C(C)=O)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1539760160 WKQJJGJNEVDOSC-KDURUIRLSA-N 462.595 2.310 30 10 JEEE C=C(Cl)Cn1c(COc2ccc(C)cc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1539817190 JTNSUKCFYVTYDN-UHFFFAOYSA-N 460.966 2.091 30 10 JEEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ccc(NC(C)=O)nc1 1540054191 MLLXZLOGBCCVTB-UHFFFAOYSA-N 469.571 2.219 30 10 JEEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(CN(C)C(=O)OC(C)(C)C)CC1 1540853891 UYGWETDLTGTCBR-OAHLLOKOSA-N 456.613 2.158 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1540862527 CXOFIEYSVUGPBO-PMACEKPBSA-N 486.592 2.408 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCCN(C(=O)CCc2ccccc2)CC1 1540868906 VZUYFLDMMOWCCE-UHFFFAOYSA-N 461.570 2.247 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1540906829 CWHXXPWVBWRJPP-RDPSFJRHSA-N 490.626 2.459 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H]1CCc2ccccc21 1587639398 LJFMACHZFQPPBO-CUWPLCDZSA-N 457.600 2.189 30 10 JEEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1588185855 OKUBJEQHHSMCDK-MCEYFSPLSA-N 497.619 2.128 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccc3F)n2C[C@@]2(O)CCO[C@@H]2C)n1 1588723352 LOERRXKLIJOACI-KOSHJBKYSA-N 468.533 2.107 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3CC)n2CC2(S(C)(=O)=O)CCC2)CC1 1588871973 UBIYRNIMRLLFGU-UHFFFAOYSA-N 471.627 2.142 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1589545679 ONUQCRMKVALKFK-IVKZONNUSA-N 458.534 2.349 30 10 JEEE C=C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC[C@H](C(F)F)N2CCOCC2)CC1 1594023500 JYFUAXNWFNWBIJ-GCJKJVERSA-N 455.550 2.443 30 10 JEEE C=CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCN1CCOCC1(C)C 1594992801 SWTKVBOCKFHDCI-UHFFFAOYSA-N 467.662 2.376 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CCSC1 1595239909 WRWFNVKDVHJBSH-DENIHFKCSA-N 462.641 2.283 30 10 JEEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)Cc1ccoc1 1595490500 UJCSZBFFIIDYKU-UHFFFAOYSA-N 457.560 2.078 30 10 JEEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@H](C(F)F)C1 1595545058 QRRHTSDSOMBMHS-KRWDZBQOSA-N 460.533 2.236 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2ccc(OC)c(F)c2)C1 1595722907 OTQKMQIXUMCDRX-QZTJIDSGSA-N 464.563 2.352 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 1595788539 CBMDAJNVALHWLB-IBGZPJMESA-N 499.593 2.320 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CC[C@@](O)(c2ccccc2F)C1 1595811956 IJVQKIXJCGQOQW-QHCPKHFHSA-N 471.558 2.102 30 10 JEEE C[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(C#N)C1)c1nccs1 1611583385 GDNSLKJIXNDSTL-JXXFODFXSA-N 479.632 2.001 30 10 JEEE CCCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1614988955 FSQDTHQXVHMFPU-UHFFFAOYSA-N 474.569 2.285 30 10 JEEE COc1cc(C#N)ccc1OCCS(=O)(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 1652023918 HGOUXABCMQXKDE-UHFFFAOYSA-N 450.538 2.204 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC1(O)CCOCC1 1689847555 BWPZLHJIWWYLTI-QGZVFWFLSA-N 450.543 2.235 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2C[C@H](C)O[C@@H](C)C2)c1 1689872271 SXZWPTUKJVVYJC-BBTUJRGHSA-N 499.637 2.440 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@]1(O)CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1689982718 SMIOVRZHONQEEP-DKICVRJWSA-N 496.431 2.214 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Cl)n2CCCC(=O)N(C)C)CC1 1690140263 SKRCIQTXIZXTKR-UHFFFAOYSA-N 456.978 2.433 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCN(CCC)CC1 1690265395 NYCIEOVHKWILFP-HXUWFJFHSA-N 468.668 2.135 30 10 JEEE C=C(C)COCCn1c(-c2ccccc2OC)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1690307089 OOAFTDNTGPOXRH-UHFFFAOYSA-N 463.604 2.407 30 10 JEEE C=CCCOCCn1c(Cc2ccccn2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1690510262 YINNWNYTBHNKDA-UHFFFAOYSA-N 461.574 2.097 30 10 JEEE C=CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCN1CCOC(C)(C)C1 1690531168 CDFHQHBKZUSVHS-UHFFFAOYSA-N 467.662 2.376 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ccc(C(C)=O)cc2F)CC1 1690670563 DZLQXJHZCYSYGN-LJQANCHMSA-N 470.549 2.143 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 1690670642 GKPYYFALRNDWEA-OALUTQOASA-N 467.574 2.380 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1690684183 AGRGUZLHRPUSKG-PKOBYXMFSA-N 494.017 2.078 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CC(=O)N(c3ccccc3)C2)C1 1690684356 DOOOMQPNMOJKRG-UYAOXDASSA-N 452.559 2.251 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccnc2OCC(F)F)C1 1690700472 SPMBTMLZAJVNRZ-DLBZAZTESA-N 483.541 2.049 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CCN(CC(F)(F)F)CC1 1690729113 GVQSGEFJLSAZSP-UHFFFAOYSA-N 491.511 2.281 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CCc2c(ccnc2O)C1 1690729882 UXSBUQLIRBZTHG-UHFFFAOYSA-N 473.530 2.260 30 10 JEEE CC(=O)N(C)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCNC(=O)C(C)C)CC1 1690767326 DXLLBAKSAJFGGO-UHFFFAOYSA-N 451.575 2.426 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC1(S(C)(=O)=O)CC1 1705490990 VGOUMXMBGAZDPR-INIZCTEOSA-N 468.583 2.271 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCCOC[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1705563009 OVYMEZAODPVTMI-MOPGFXCFSA-N 462.572 2.059 30 10 JEEE C#CCN(c1nnc([C@H]2COc3ccccc3O2)n1CC(C)(C)COCC)[C@@H]1CCS(=O)(=O)C1 1705565651 JDMUECAOPAQUTI-WIYYLYMNSA-N 488.610 2.480 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1CCCN1C[C@H](C)O[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1705570505 QPDGNTMZMITRJD-ZVDOUQERSA-N 491.683 2.056 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1C[C@H]1CN(Cc2ccccc2)CCCO1 1705589156 LNJBVIDTVIMHRC-HSZRJFAPSA-N 462.598 2.170 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2CCC(=O)NC(C)C)CC1 1705650079 LEWNBRCAVBTKNA-UHFFFAOYSA-N 475.597 2.231 30 10 JEEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1705655182 GUUUBXZOKNPSJB-UHFFFAOYSA-N 494.602 2.250 30 10 JEEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1705728957 FSDRZGYDVLOEHA-UHFFFAOYSA-N 495.506 2.413 30 10 JEEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)c2ccco2)CC1 1705739979 YCKCAGAUSLZZCO-UHFFFAOYSA-N 484.582 2.418 30 10 JEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1OCC1CC1 1705843983 STBHUODOSPRMME-HXUWFJFHSA-N 461.588 2.070 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1705929064 ZAJYHQDURHWZSB-QFIPXVFZSA-N 469.652 2.439 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1705933349 CXXAAXMRQIBBLM-UZLBHIALSA-N 498.024 2.495 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1705938316 VFBYQZJPMXBBCB-KRWDZBQOSA-N 474.562 2.324 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(c2ccccc2OC)CC1 1705938829 KNWTXTRIYPGYQT-HXUWFJFHSA-N 461.588 2.066 30 10 JEEE CC(C)NC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1706644655 HWPKUPGSOURKJF-IBGZPJMESA-N 483.573 2.071 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cccc(Cn2ccnc2)c1 1708756572 DTGHRKCIGVYWTI-OAQYLSRUSA-N 462.558 2.218 30 10 JEEE C#CCN(c1nnc(C(C)C)n1Cc1ccc(N2CCC(CO)CC2)cc1)[C@H]1CCS(=O)(=O)C1 1722358073 DHWADTPUFRUKES-QHCPKHFHSA-N 485.654 2.285 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H](OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1722360477 UPDYLWUORFUVTP-GHTZIAJQSA-N 474.583 2.014 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@]1(C)CCO[C@@H]1C1CC1 1722375446 OPSXLAMQHOLJQN-RCZVLFRGSA-N 481.622 2.473 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(OC)c(OC(F)F)c2)CC1 1722441734 TXADDXQRHMJBRW-RXVVDRJESA-N 491.539 2.416 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CCc2ncc(CC)s2)CC1 1722448650 FLTXIUBPEBJSBM-UHFFFAOYSA-N 463.611 2.491 30 10 JEEE C#CCSCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1722454807 NNGUJQHYRSVXTB-DOTOQJQBSA-N 471.583 2.052 30 10 JEEE C#CCSCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CC[C@H](C(=O)OC)C1 1722463068 WIIGHWUTKCTHRY-NRFANRHFSA-N 482.654 2.009 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H]1CC=CCC1 1722509920 RFJGWPVBKUACTK-NCYKPQTJSA-N 479.647 2.385 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCS(=O)(=O)C1 1722659847 DZXVNMUAHDWVKU-MJGOQNOKSA-N 496.630 2.337 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1722693421 MSSZJZFLDOVEBZ-UHFFFAOYSA-N 480.491 2.151 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C[S@](C)=O)cc2)C1 1722708970 HFYOQOHSODKYMT-WEZXKFLESA-N 457.600 2.222 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2C[C@@H](F)COC)C1 1722709912 BFYZXEJTAIVKST-SJORKVTESA-N 466.583 2.312 30 10 JEEE C=CCS(=O)(=O)CCn1c(CSc2ccccc2OC)nnc1N1CCN(C(C)=O)C[C@H]1C 1722731410 JXFZWJHAGFZYIC-QGZVFWFLSA-N 493.655 2.237 30 10 JEEE C[C@H]1CN(CCCn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N(C)C[C@@H](C)C#N)CCCO1 1722862218 HPJITVJORKEYPQ-OALUTQOASA-N 474.631 2.445 30 10 JEEE C[C@H](C#N)CN(C)c1nnc(Cc2cn3ccccc3n2)n1CC(=O)NCCc1ccccc1 1722868774 HGWVXURJEXQHOB-LJQANCHMSA-N 456.554 2.471 30 10 JEEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 1740598348 NLAODJDEPFQTOU-GBAAUQCPSA-N 486.661 2.232 30 10 JEEE C#CCN(c1nnc(Cn2ccc3ccccc32)n1CCNC(=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1740623739 ABWPETZNNLRCPY-FQEVSTJZSA-N 496.637 2.070 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cn(C)c3ccccc23)n1CCCN1CCC[C@H]1C(=O)N(C)C 1740637181 SRKDBWMNEWHFOF-DEOSSOPVSA-N 471.609 2.452 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1C[C@@H](C(CC)CC)N1CCOCC1 1740644780 UBBRUBHUFFTBMC-QFIPXVFZSA-N 454.619 2.114 30 10 JEEE C#CCN(CC#CC)c1nnc(COc2cc(C)ccc2C)n1C[C@H]1CCN(S(C)(=O)=O)C1 1740658641 LUUYNZOSTOQVLA-NRFANRHFSA-N 469.611 2.218 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C)Oc2ccc(F)cc2)CC1 1740690201 PMAXJYFFYZLQKQ-GOSISDBHSA-N 463.517 2.287 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCOC[C@H]2CCOC2)CC1 1740701883 RGYYRNOUYVNZHA-GOSISDBHSA-N 487.004 2.403 30 10 JEEE C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(=O)C(C)C)CC1)c1ccccc1 1740796412 APFISMYSDOVOOF-SFHVURJKSA-N 474.631 2.343 30 10 JEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](c2cccs2)N2CCOCC2)CC1 1740818885 XSYPHLZMPPXYMQ-ZWKOTPCHSA-N 480.660 2.180 30 10 JEEE C=CC1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2CC(=O)N(CCOC)C2)CC1 1740835330 LDBGQQKWVMDQCF-LJQANCHMSA-N 487.626 2.246 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1-c1cnn(C)c1 1740941647 PMAZFKKOCUDMKM-LJQANCHMSA-N 470.599 2.268 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2CCS(=O)(=O)CC)C1 1740974301 KQOHJZDARNTLNQ-OAHLLOKOSA-N 472.409 2.262 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@H](COC)OC)C1 1740980345 JARMVIWLTBLMFC-CEXWTWQISA-N 481.594 2.029 30 10 JEEE CCC[C@@H](C)C(=O)NCCn1c(C2CCC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1745200284 DKVJDAMTAGZKBP-QGZVFWFLSA-N 467.622 2.338 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1c(F)cccc1F)N(C)C 1748673018 YJYTUOIRSKCUIE-HDMKZQKVSA-N 451.543 2.219 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2ccc(CC)cc2)C1 1748751304 FHXWAFPPXUIXPQ-FCHUYYIVSA-N 487.626 2.165 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2cccnc2OCCOC)CC1 1748983562 TVYJESHVOPICFT-UHFFFAOYSA-N 467.961 2.217 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CCOCC(F)(F)C(F)F)CC1 1749009367 PSXFBQRJJUTLTG-UHFFFAOYSA-N 468.455 2.223 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4ccccc4n3)n2C[C@@H](F)COC)CC1 1749011222 ZVLZSVYUAYYMBU-LJQANCHMSA-N 450.518 2.444 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(OCC(N)=O)CC1 1749120769 HHZJTFWJOOOAML-IFXJQAMLSA-N 493.406 2.488 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N(C)CC(=O)N1CCOCC1 1749125719 XGVILULMJMATTG-MBSDFSHPSA-N 485.585 2.239 30 10 JEEE C=CC1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CCS(=O)(=O)N(C)C)CC1 1749330534 FZKVIHKGSCVUBH-UHFFFAOYSA-N 479.603 2.265 30 10 JEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](CC)Oc1cccc(F)c1 1749489337 UPBWPIGHQRIJAH-PKOBYXMFSA-N 467.567 2.230 30 10 JEEE COCCN(CCC#N)c1nnc([C@H]2COc3ccccc3O2)n1CC1([S@@](C)=O)CCC1 1749829939 BMNSXZHPSATDDP-AYLZSAKASA-N 459.572 2.458 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1C[C@H](c1cccc(F)c1)N(C)C 1751198327 HQJQTQZHXHBPGA-RVKKMQEKSA-N 451.572 2.069 30 10 JEEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1cccc(CN2CCO[C@H](C)C2)c1 1760165062 IGPKOUUVSHIOKH-NLFFAJNJSA-N 453.587 2.269 30 10 JEEE C#CCN(C)c1nnc(-c2ccccc2Br)n1CCS(=O)(=O)N1CCSCC1 1760168881 STUVQFLYTYFCBI-UHFFFAOYSA-N 484.445 2.156 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1CC[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1760181028 OMCVYFAVOQHYGC-MJGOQNOKSA-N 474.583 2.016 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1Cc1c(Cl)c(C(F)(F)F)nn1C 1760247993 XIECQQVCGQYQML-UHFFFAOYSA-N 454.844 2.275 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H]2CCO[C@@H](C)C2)CC1 1760271905 QQVWSCHUMGDEOE-FUHWJXTLSA-N 456.616 2.415 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCCc2nccs2)CC1 1760273237 MGUSHXGDIBXZSU-ICSRJNTNSA-N 472.615 2.057 30 10 JEEE C#CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1760275790 ITLIMUWJXZWKQP-IBGZPJMESA-N 475.640 2.324 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1CC[C@@H](C(F)F)N1CCOCC1 1760299107 HPGTVWANTIVCBY-KEXUJGGDSA-N 467.561 2.350 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCN(C)C2CCCCC2)CC1 1760389863 VUQNZTHIUZNJAP-FQEVSTJZSA-N 466.652 2.032 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccccc2COC)CC1 1760401774 BWQIXHIXUDNIJS-NRFANRHFSA-N 475.615 2.208 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC(=O)N(C)C)CC1 1760413133 YYCLZZUVFMEZMC-SFHVURJKSA-N 451.637 2.477 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1760520711 XOFVYSKWSRZEFB-IRXDYDNUSA-N 474.993 2.268 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(C)(C)c2ccc3c(c2)OCO3)C1 1760535001 JZBJFHNROWENAC-AEFFLSMTSA-N 491.614 2.376 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC2(S(C)(=O)=O)CC2)C1 1760537144 KGIZOXPHDSVKPN-QGZVFWFLSA-N 462.572 2.321 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H](C)N2CCOCC2)C1 1760537880 SJBMCEZZPLGVNF-ICSRJNTNSA-N 457.575 2.464 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1760553236 OZKHIZHOSQSMSP-IAGOWNOFSA-N 461.588 2.194 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2cc(F)ccc2F)CC1 1760555314 BWRSCZLTKZMAJP-QGZVFWFLSA-N 481.569 2.378 30 10 JEEE CC(=O)N1CC[C@H](CN(C)c2nnc(COc3ccc(C#N)cc3)n2CCCc2nc(C)no2)C1 1760585596 CWIJCVAKIMAQDN-HXUWFJFHSA-N 478.557 2.358 30 10 JEEE CCN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CCOc1ncccc1F 1766917352 FEFZIXKPIMYRRI-UHFFFAOYSA-N 458.519 2.301 30 10 JEEE C[C@@H]1Oc2ccc(-c3nn(-c4cccc(C(=O)O)c4)cc3/C=N\NC(N)=S)cc2N(C)C1=O 1857806852 MPLWCXDGRBRFHK-XVQOCTBXSA-N 464.507 2.148 30 10 JEEE COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2CCNC(C)=O)cc1 1862574798 UDHMZGTZJZQRHP-NRFANRHFSA-N 482.489 2.205 30 10 JEEE C=CCOc1ccccc1[C@@H]1C(C(=O)N(CCN)C(C)=O)=C(N)Oc2c1c(CC)nn2CC 1865224670 JCGJVYOKZDFSOW-IBGZPJMESA-N 453.543 2.059 30 10 JEEE Cc1ccc([C@H](C#N)NC(=O)[C@H](CO)NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccccc2)C3=O)cc1 1867622909 FBZHNJDCPWWFKA-ZEQRLZLVSA-N 496.523 2.263 30 10 JEEE CC[C@](C)(NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(=O)N1CCN(c2ncccn2)CC1 1868795540 LZGIEENIZIHVBD-NLFFAJNJSA-N 495.653 2.448 30 10 JEEE C=CCN(CC=C)c1nc(NC(=O)CCc2ccc(OC)cc2)n([C@@H]2CCS(=O)(=O)C2)n1 1870004923 PTKLXRIFYKGZNR-GOSISDBHSA-N 459.572 2.396 30 10 JEEE N#Cc1nnn(-c2ccc(F)c(F)c2)c1NC(=O)CCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1870155190 AMNBNQJRXHZHLN-UHFFFAOYSA-N 481.375 2.340 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCCOC)cn1C[C@@H](c1ccc(O)cc1)N(C)C 1870527371 TUXOCXRUQDFEKI-DEOSSOPVSA-N 498.624 2.172 30 10 JEEE CC[C@H](C)[C@H](C(=O)NC1=C(c2nc(C)cs2)C(=O)CN1CCOC)N1C(=O)c2ccccc2C1=O 1873710425 DGSLVLPTENMZTB-VBKZILBWSA-N 496.589 2.478 30 10 JEEE CC(C)(C)N1C[C@H](c2nnc(SCC(N)=O)n2/N=C/c2cc(Cl)ccc2O)CC1=O 1874274023 OEWAJOAZUHFONN-QFIKJYRCSA-N 450.952 2.211 30 10 JEEE NC(=O)CSc1nnc(Cc2ccccc2[N+](=O)[O-])n1/N=C/c1ccc2c(c1)OCCO2 1874295203 OZTYHGVBRGUUSP-SSDVNMTOSA-N 454.468 2.008 30 10 JEEE CC(C)N1C(=O)CS[C@H](C(=O)N2CCC([C@@H]3CNC(=O)C3)CC2)[C@@H]1c1ccc(C#N)cc1 1889333195 NIWVNXSYPWLLQL-VJBMBRPKSA-N 454.596 2.326 30 10 JEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](C(=O)N2CCC(B3OC(C)(C)C(C)(C)O3)CC2)C1 2231046247 AHXYLOJLUVCUEM-MRXNPFEDSA-N 472.413 2.105 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)[C@H](CO)C1 2255705394 UOPKMACVUOJAOX-AWEZNQCLSA-N 452.382 2.101 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2255933874 VAAUEZSXIZYGKV-CVEARBPZSA-N 456.345 2.069 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](F)C[C@@H]1C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2256623151 BIMFIEYCZVYWIA-CHWSQXEVSA-N 455.361 2.406 30 10 JEEE Cc1c(C(=O)NCC(C)(C)CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267136413 KJAXCFPBYKHUCV-UHFFFAOYSA-N 450.389 2.308 30 10 JEEE COCC1(CNC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2267175278 ZYWXDQFACNWHEE-UHFFFAOYSA-N 467.397 2.056 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)[C@H]2COC[C@H]12 2267287657 XMAODCVULSGRPW-BMFZPTHFSA-N 464.393 2.411 30 10 JEEE CC(C)(C)OC(=O)NCC1(O)CCN(C(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)CC1 2267288963 JGECPJBLKPDMIH-UHFFFAOYSA-N 450.341 2.071 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2C(NS(=O)(=O)Cc3ccsc3B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2267469409 VCBLRPGZMYQTLC-HUUCEWRRSA-N 484.449 2.332 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2C[C@H]1[C@H]2NC(=O)OCc1ccccc1 2267516455 DRWPMYODTJSPTF-HBFSDRIKSA-N 480.374 2.167 30 10 JEEE Cc1c(C(=O)N2CCN(C(=O)OC(C)(C)C)CC23CC3)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281982669 OIJBXUNSBZTZLE-UHFFFAOYSA-N 460.384 2.253 30 10 JEEE Cc1cc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2CO)oc1B1OC(C)(C)C(C)(C)O1 2282059453 IVFBAIGZFZDAGB-CVEARBPZSA-N 464.368 2.235 30 10 JEEE COCC1(NC(=O)OC(C)(C)C)CC(NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2282097053 ACCVBATUQCZZNO-UHFFFAOYSA-N 461.368 2.183 30 10 JEEE Cn1nc(C(=O)N2C[C@H]3CCN(Cc4ccccc4)C[C@@H]3C2)cc1B1OC(C)(C)C(C)(C)O1 2282596936 DOESOVGVXXETTQ-WOJBJXKFSA-N 450.392 2.313 30 10 JEEE CC1(C)OB(c2c[nH]c(C(=O)N[C@H]3CN(Cc4ccccc4)[C@]4(CCOC4)C3)c2)OC1(C)C 2282642047 ICYVIXNKJIQUHZ-CJFMBICVSA-N 451.376 2.477 30 10 JEEE CC(C)CN(C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)C1CN(C(=O)OC(C)(C)C)C1 2283066958 CVNIHDMVIACGJH-UHFFFAOYSA-N 460.384 2.493 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H](COCc1ccccc1)C(=O)O 2284401408 IAFBSHMNVCRDGC-IBGZPJMESA-N 475.372 2.243 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N[C@@H](C(=O)O)[C@H](C)OCc1ccccc1 2285197527 MMPXFLZCDKTLNG-OXJNMPFZSA-N 454.332 2.478 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]1C 2285203906 DWQOEKNNJCSVQP-DZGCQCFKSA-N 455.286 2.361 30 10 JEEE Cn1cc(C(=O)N2CC(F)(F)C[C@H]2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2296413867 ODHIVQCXLZEKDY-ZDUSSCGKSA-N 470.326 2.094 30 10 JEEE COc1ccc(N2C[C@@H](c3nnc(SCCO)n3N=Cc3ccc(O)cc3O)CC2=O)cc1 2325882406 BCRMPACXWDXBGN-HNNXBMFYSA-N 469.523 2.185 30 10 JEEE COc1cc(C=Nn2c(CCOc3ccccc3)nnc2SCC(N)=O)cc(OC)c1O 2329175742 ZSAYBICYWACBAI-UHFFFAOYSA-N 457.512 2.082 30 10 JEEE C=C(CCNC(=O)OC(C)(C)C)CNC1(C(=O)O)CCN(CCNC(=O)OC(C)(C)C)CC1 2350210158 KRGDQDKOHDQLAU-UHFFFAOYSA-N 470.611 2.491 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(C(=O)NCc3ncc(B4OC(C)(C)C(C)(C)O4)s3)CO[C@@H]1C2 2359391252 QUWCPAUFCBVHDI-SOHPYSCWSA-N 479.408 2.131 30 10 JEEE Cc1nn(C)c(C(=O)Nc2n[nH]cc2CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2380498865 IOTDXNZTWNHZSL-UHFFFAOYSA-N 460.344 2.028 30 10 JEEE CCCN1C(C(=O)c2ccccc2)=C(OC(=O)CN2C(=O)CCC2=O)c2ccccc2S1(=O)=O 9193974 TUTJRDXCISVCGQ-UHFFFAOYSA-N 482.514 2.345 30 10 JEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)OCC(=O)c3ccc4c(c3)OCO4)CC2)cc1 18662143 NFFUUNMKIXGAFB-UHFFFAOYSA-N 456.476 2.114 30 10 JEEE Cc1c(C(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)sc2ncn(C)c(=O)c12 31796675 GMKVXICIFHUSOX-UHFFFAOYSA-N 465.514 2.445 30 10 JEEE COc1ccc(CCNC(=O)CSc2n[nH]c(N/N=C/c3cccc(OC)c3O)n2)cc1OC 59016879 OXCQHIUBVCLQMW-WYMPLXKRSA-N 486.554 2.433 30 10 JEEE COc1cc(C=NNc2nc(SCC(=O)Nc3ccccc3C#N)n[nH]2)cc([N+](=O)[O-])c1O 1084297368 RHFVPYBLCNEYQG-UHFFFAOYSA-N 468.455 2.476 30 10 JEEE Cc1c(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cnn1CCO[C@H]1CCCCO1 1139811035 BVWPUCRGVRYDCR-YADHBBJMSA-N 451.527 2.137 30 10 JEEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H](C(=O)OCC)c2ccc(OC)c(F)c2)c1 1189349891 HHFZNLVLJWFNDB-IBGZPJMESA-N 450.488 2.333 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCO[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1286385160 VEILMCNCNHDJMG-QKLQHJQFSA-N 473.555 2.295 30 10 JEEE C#CCN(c1nnc(CC2CCCC2)n1CCNC(=O)c1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 1286394612 WEFAQEGTUMKKRB-QFIPXVFZSA-N 483.638 2.376 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1286496293 PLXOGFAVSBFXCL-IBGZPJMESA-N 480.598 2.011 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(CC(=O)NCC)CC1 1286551298 LPGNUYHDDNMXKG-YKSBVNFPSA-N 498.628 2.202 30 10 JEEE C=C(Cl)Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1286631963 BUXMPXCCXDATDQ-QGZVFWFLSA-N 487.051 2.017 30 10 JEEE C=CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(S(C)(=O)=O)CC1 1286697860 IFAJDQWVJSNWMU-UHFFFAOYSA-N 456.572 2.172 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1286782006 HIQCRVYAMLWOBD-INIZCTEOSA-N 475.391 2.362 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1286813837 DGFQVYZGNYIJDW-GASCZTMLSA-N 468.530 2.254 30 10 JEEE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3ccc(C#N)cc3)n2CCCCCS(C)(=O)=O)C1 1286845933 TTXXCYLRPKAIMI-FQEVSTJZSA-N 472.615 2.336 30 10 JEEE CC(=O)N[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2c(C)nn(C)c2C)C1 1286911221 ICQRBWLUKIXEOG-FQEVSTJZSA-N 462.558 2.232 30 10 JEEE CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCc2scnc2C)CCO1 1286940240 BBFDZHQGMMEQJF-LJQANCHMSA-N 451.556 2.166 30 10 JEEE CCN1CCCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1296094792 FUJWWFCPLXAYNR-CTNGQTDRSA-N 472.615 2.226 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CCCC3)n2CCN2CCCS2(=O)=O)c1 1300337069 SBFYEOGAHHACKU-UHFFFAOYSA-N 484.626 2.103 30 10 JEEE C#CCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1300419431 LPVCGRHLDPOMRD-AREMUKBSSA-N 463.630 2.019 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2Cl)n1CC(=O)N(C)CC)[C@H]1CCS(=O)(=O)C1 1300488288 CLROXFSHHJGWDO-HNNXBMFYSA-N 484.409 2.357 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@H]1CC(F)(F)CO1)[C@@H]1CCS(=O)(=O)C1 1300499401 RFGAYVGXZJQRPP-QZTJIDSGSA-N 468.501 2.059 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H]1CCCCS1(=O)=O 1300579493 SGRAEWRKOBJVKY-KRWDZBQOSA-N 464.551 2.024 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCNC(=O)C1 1300896172 ZYMRQYJBTWWQTE-LNLFQRSKSA-N 460.579 2.268 30 10 JEEE C#CC1(O)CCN(C(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Br)CC1 1301219532 LXCYMMYVMZPHIA-UHFFFAOYSA-N 455.374 2.224 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CN2CCCC2=O)n1C[C@]1(O)CCO[C@H]1C 1301338291 VGVPGBJVDOZHPH-MHECFPHRSA-N 455.559 2.142 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1301491351 HJBVCQJNNCYGFE-SFHVURJKSA-N 451.531 2.222 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(c2nc(C)no2)CC1 1301577438 JIFHICZJLOGMPC-UHFFFAOYSA-N 467.555 2.493 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](c2ccc(F)cc2)C1 1301596417 OFMHJMNTGFOPGJ-TYPHKJRUSA-N 494.589 2.320 30 10 JEEE CC[C@@H](C)N(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(N2CCNC2=O)CC1 1305618156 DSTIHZWZHRMWGY-LJQANCHMSA-N 480.617 2.453 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@@H](C)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1358964653 CVZONQKHCQGUKK-SJLPKXTDSA-N 493.655 2.470 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1(O)CCN(C(C)C)CC1 1359007842 XXZSOPFVCJHYLX-UHFFFAOYSA-N 477.613 2.370 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(N(C)C)CCSC1 1359009976 COUQFLKURSOZLX-FDDCHVKYSA-N 478.663 2.483 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC2(N(C)C)CCOCC2)CC1 1359036948 OUOBFNDZGPSZLZ-UHFFFAOYSA-N 457.022 2.388 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2Cc2cnnn2C)CC1 1359041097 NIRYKQKBZRAQCA-INIZCTEOSA-N 482.976 2.214 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2C[C@@H](C)O[C@H](C)C2)CC1 1359043018 DBTWAIXCNUGTIT-NHCUHLMSSA-N 489.624 2.282 30 10 JEEE C#CCSCCn1c(N2CCN(CC#C)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1359061767 LSVFFWXOIKMVFE-KDURUIRLSA-N 458.632 2.170 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCSC1(C)C 1359070830 WGJUERGOKFRIKA-CSODHUTKSA-N 467.661 2.135 30 10 JEEE C=C(C)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1359119004 PEPCVMYCGKCNQT-CYBMUJFWSA-N 479.766 2.084 30 10 JEEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 1359125370 AMUUDXUGHGHXKP-FKEBYFGASA-N 474.650 2.395 30 10 JEEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](Cc2ccccc2)C1 1359203411 OUGQDXWYFWNHQX-FCHUYYIVSA-N 489.642 2.415 30 10 JEEE C=CCNC(=O)Cn1c(N2CC[C@H](c3ccc(OC)cc3)C2)nnc1[C@@]1(OCC)CCOC1 1359305935 QXUKMKBKIWMQHM-YADARESESA-N 455.559 2.235 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CC[C@@](O)(c2ccc(C)cc2)C1 1359330095 GSTHJUPAUBJURE-QHCPKHFHSA-N 453.568 2.347 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N(CC)Cc1nc(O)c2ccccc2n1 1359331979 LQZWKAIIWHKAMJ-KRWDZBQOSA-N 486.598 2.448 30 10 JEEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](C)CC[C@@H]1C 1359334851 SIKJLJZEKJTKCR-HOTGVXAUSA-N 451.618 2.495 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N(C)CC(=O)Nc1cccc(Cl)c1 1359336079 DXTWXJJBAYFRFA-QGZVFWFLSA-N 467.979 2.459 30 10 JEEE CC(C)(C)OCc1cc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(S(C)(=O)=O)CC2)no1 1359583134 FUOFVRPYGIMKKI-UHFFFAOYSA-N 499.597 2.250 30 10 JEEE CC(C)[C@H]1CCCN1c1nnc(COc2ccc(C#N)cc2)n1CCN1CCCS1(=O)=O 1359737699 DIOCXWBGGUXSQV-HXUWFJFHSA-N 458.588 2.389 30 10 JEEE C[C@H](CC#N)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1ccc(N(C)C)nc1 1360473854 BDKMGLFEXHPPQI-MRXNPFEDSA-N 457.542 2.440 30 10 JEEE C=CCN(C(=O)c1cnn([C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1)[C@H]1CCS(=O)(=O)C1 1464402659 UKKXBZVLHQQTDH-ROUUACIJSA-N 452.577 2.270 30 10 JEEE CCNC(=O)c1cccc(Cn2c(N3CC[C@@](F)(C#N)C3)nnc2[C@@]2(OCC)CCOC2)c1 1502420695 AACBRJPZJYQFFD-DHIUTWEWSA-N 456.522 2.170 30 10 JEEE CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN(C)CC(F)(F)F)CC1 1503821922 GEPDUJSNPFYNMC-UHFFFAOYSA-N 464.496 2.162 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2Cc2ccc(F)cn2)c1 1507553263 ZISCOELAVZLWIF-UHFFFAOYSA-N 461.501 2.039 30 10 JEEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN([C@@H](C)c2nc(CC)no2)CC1 1507593764 VGDNWLLITFMJAQ-IBGZPJMESA-N 451.579 2.382 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1Cc1oc(CC)nc1C)[C@@H]1CCS(=O)(=O)C1 1507634839 NNDNYJUDSKCRAJ-QGZVFWFLSA-N 474.612 2.168 30 10 JEEE C#CCN(c1nnc(COCC)n1Cc1ccnc(OC2CCCC2)c1)[C@H]1CCS(=O)(=O)C1 1507636759 DBDFXAOXMJATBS-IBGZPJMESA-N 473.599 2.206 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1cnnn1C 1507668583 ABFUFKGOPKTJCF-SFHVURJKSA-N 452.563 2.032 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2CC2CCN(C(C)=O)CC2)CC1 1507736137 FHURWJYHTYEQDF-UHFFFAOYSA-N 466.561 2.309 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2CCNC(=O)c2ccco2)CC1 1507739560 CGACSALEMOWOPR-UHFFFAOYSA-N 490.564 2.154 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(O)(Cc2ccccc2F)CC1 1507752263 XKZMOCVIIBBALQ-LJQANCHMSA-N 492.642 2.260 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1507803369 BIDFDQILAOWKNN-RDGATRHJSA-N 498.676 2.111 30 10 JEEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2ccc(F)c(F)c2)C1 1507852700 CEGWNIDNOJBGKU-MLGOLLRUSA-N 461.922 2.497 30 10 JEEE C=CCCOCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1507960707 VQDGWRMWLMZELK-QFIPXVFZSA-N 473.965 2.401 30 10 JEEE C=CCN(Cc1cccs1)c1nnc(Cc2ccncc2)n1C[C@]1(O)CCS(=O)(=O)C1 1508007415 BMERIQBSKFZSPC-OAQYLSRUSA-N 459.597 2.068 30 10 JEEE C=CCN(CCc1ccco1)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCS(=O)(=O)C1 1508037312 WULFXQAZVKRCOV-IBGZPJMESA-N 458.588 2.403 30 10 JEEE C[C@@]1(C#N)CCCN(c2nnc(CN3CCCC3=O)n2CCn2cc(Br)cn2)C1 1510290510 HOBQTSYYSSDGLC-IBGZPJMESA-N 461.368 2.190 30 10 JEEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1539119515 KLVNSRNDQYCYJY-SFHVURJKSA-N 452.563 2.142 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1CCOCc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1539202900 MBSHQQNZMDUKKT-LJQANCHMSA-N 460.600 2.428 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCc1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 1539203723 TZXIVJUHWQMRSV-LJQANCHMSA-N 498.996 2.448 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1CCc1ccccn1)[C@H]1CCS(=O)(=O)C1 1539224875 JLYJHXXYWQDSIP-NRFANRHFSA-N 465.579 2.142 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(C)n2)n1CC1(N2CCOCC2)CC(OCC)C1 1539315334 IYLYQAOGDNPFRO-UHFFFAOYSA-N 462.598 2.381 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC2(O)CCN(C(C)C)CC2)CC1 1539427378 CRPAJQRHYARBST-UHFFFAOYSA-N 493.656 2.138 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccccc2OC(F)F)CC1 1539429977 FMTGQFKYXGNGDR-HSZRJFAPSA-N 461.513 2.335 30 10 JEEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@]2(N(C)C)CCSC2)CC1 1539460189 ZOOVALFAQSNQLN-DEOSSOPVSA-N 454.644 2.358 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@]1(O)CCN(C)C1 1540140625 ZKNSJWPLSQWDIB-PTLVVNQVSA-N 459.566 2.400 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCN2C(=O)CC[C@@H]2C1)C(C)C 1540148304 UXEBMWAHZXUGQZ-RTWAWAEBSA-N 469.634 2.024 30 10 JEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2cccc(Cl)c2)C1 1540858152 JLUPYSJORZUKGL-MSOLQXFVSA-N 467.979 2.028 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCN2CCSCC2)C1 1540884711 UCCCKTLEFLWESM-KNQAVFIVSA-N 451.637 2.149 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(=O)Nc2c(C)cccc2C)C1 1540892254 INZAAXMGSXJFPP-MOPGFXCFSA-N 473.599 2.217 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(C2CCCCC2)CC1 1540902978 VGTMJFMETYTYOI-IBGZPJMESA-N 451.637 2.228 30 10 JEEE CC(C)Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCS(=O)(=O)C(C)(C)C 1541472284 DJLRVKLYYHGLGC-KRWDZBQOSA-N 474.635 2.067 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2[C@H]3CC[C@H]2CN(C(=O)OC(C)(C)C)C3)s1 1585769005 GFPDGEHSQFLIII-GJZGRUSLSA-N 455.602 2.365 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2C[C@H]2CCCCS2(=O)=O)c1 1587690067 YHEJHJRPPTUOGX-HXUWFJFHSA-N 480.594 2.307 30 10 JEEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1587861898 RCXBXWBMFKHXTF-ZWKOTPCHSA-N 481.619 2.013 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H](C)Oc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1588064450 IGSYHMWUHZLUCP-TZIWHRDSSA-N 465.579 2.358 30 10 JEEE C#CCN(c1nnc(COCC)n1Cc1ccccc1OC(F)F)[C@H]1CCS(=O)(=O)C1 1588073952 GJZFBKNEKOFLNC-INIZCTEOSA-N 454.499 2.091 30 10 JEEE C#CCN(c1nnc(COCC)n1C[C@@H]1C[C@H](F)CN1Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 1588074525 NWVYESXDGTVKOH-OTWHNJEPSA-N 495.646 2.115 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H]1CC(=O)N(CCOC)C1 1588457952 APGCVSZLFFPQPN-OALUTQOASA-N 474.606 2.305 30 10 JEEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2Cc2cccnc2OCC(F)F)CC1 1588856934 FJYBMNLSVTUGFH-UHFFFAOYSA-N 473.553 2.476 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@H]2COCCO2)CC1 1588899017 KOAGAGCMSJELHS-IBGZPJMESA-N 488.386 2.089 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2CC2(COC)CCOCC2)CC1 1588914154 YJVJSQQDFVAPTN-UHFFFAOYSA-N 469.561 2.493 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCCOCC1 1589506266 UHCKNYXZDYDBEC-FPOVZHCZSA-N 475.615 2.403 30 10 JEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(OC)CC1 1594625962 JKYFYQZVQFQTRB-GHTZIAJQSA-N 455.625 2.363 30 10 JEEE C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CCCN(Cc2ccc(OC)cc2)C(=O)C1 1595314473 YDNIQZWEBGLPRV-UHFFFAOYSA-N 461.526 2.359 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1595476785 NLAGPCFSOCKPPF-WMZOPIPTSA-N 453.522 2.036 30 10 JEEE C=CCOc1ccccc1Cn1c(Cn2nc(C)cc2C)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1595664806 KJUYYARNLRXCAZ-FQEVSTJZSA-N 470.599 2.376 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCC[C@@H]2[C@@H]2CCCO2)nnc1[C@]1(OC(C)C)CCOC1 1595831199 NLRUNSPCKXDLTE-DXIQSLLYSA-N 468.620 2.067 30 10 JEEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC(Oc2ccc(C#N)cc2)C1 1611238131 GTMYTCDAIOOXAR-HXUWFJFHSA-N 452.536 2.445 30 10 JEEE CN1CCCC(C)(C)[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1618471195 FYWARLVSDJLTQU-OAQYLSRUSA-N 485.658 2.409 30 10 JEEE C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@H]2CCN(c3cc(OC)cc(OC)c3)C2)c1 1631690923 YVABLQIVJGIQBD-QGZVFWFLSA-N 459.568 2.424 30 10 JEEE C#CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCNC(=O)c1ccco1 1689964165 HIAGRMCVYZFXOW-QGZVFWFLSA-N 456.547 2.485 30 10 JEEE C#CCN(c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1689983698 FOVJWDPWWVUPJD-FUHWJXTLSA-N 462.572 2.014 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@H]2NC(=O)CC2(C)C)CC1 1690137752 HYDKADBXLHRYQW-LAUBAEHRSA-N 496.587 2.438 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CC(=O)Nc2c(C)cccc2C)CC1 1690141789 CFFCJGBIFYUMHO-UHFFFAOYSA-N 459.554 2.495 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCCOC)cc1 1690206703 XPFUQKGQUUBNLP-AUSIDOKSSA-N 458.584 2.246 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Br)cc3)n2CCS(=O)(=O)N(C)C)C1 1690690303 VZSRPNQVDLDNSX-QGZVFWFLSA-N 484.420 2.380 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(=C)CC1 1690724380 NQAUZCZEJMRTDC-SFHVURJKSA-N 481.619 2.344 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OCC)CCOC3)n2CCC(C)(C)O)c1 1705503779 DSWQJAAGFZELEE-DEOSSOPVSA-N 455.559 2.147 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1cccc([N+](=O)[O-])c1)C1CC1 1705534214 BXIUFSILWLJLKV-HXUWFJFHSA-N 488.570 2.102 30 10 JEEE C#CCN(c1nnc(C2CCC2)n1CCCOCC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1705565365 IBZSUEXQHZAOKG-FQEVSTJZSA-N 450.605 2.006 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(F)cc2Br)n1CCS(=O)(=O)NC(C)C 1705575938 BBCLXNBZIFYFFM-UHFFFAOYSA-N 482.379 2.247 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2ncccc2C)CC1 1705640393 PQNWOSSNAMUFQL-NRFANRHFSA-N 481.601 2.093 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H]2NC(=O)CC2(C)C)CC1 1705647001 WKLLVDGDHGHYQU-LJQANCHMSA-N 468.989 2.479 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2C[C@](C)(O)C2CC2)CC1 1705651220 NZOMHHYLUOMZLQ-VWLOTQADSA-N 451.571 2.292 30 10 JEEE C#CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CCC(NC(=O)COC)CC1 1705655003 AMHRLDFXWPIWRT-UHFFFAOYSA-N 495.447 2.144 30 10 JEEE CCNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](CN2CCOCC2)C1 1710308411 DYFRAKUWUZIUOG-HXUWFJFHSA-N 465.602 2.138 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2Br)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1722288084 VWIPTUTZHUWFKW-HUUCEWRRSA-N 466.405 2.447 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Cl)n1CC1CCS(=O)(=O)CC1)[C@@H]1CCS(=O)(=O)C1 1722361944 KUDZVMVCLMHILG-QGZVFWFLSA-N 497.042 2.050 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)ccc3Br)n2C[C@@H](F)COC)CC1 1722434224 NSJURNGGZYYOIA-OAHLLOKOSA-N 466.355 2.456 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2Cc2cccc3c2OCCCO3)CC1 1722445568 YXJWICGEIGGDJE-IBGZPJMESA-N 497.596 2.178 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H](C)CNC(=O)OC(C)(C)C)CC1 1722448088 RGGNLVVAIYAYED-QUCCMNQESA-N 488.633 2.299 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1722495691 YKLRPELUCJTIKE-VWPQPMDRSA-N 474.650 2.336 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCNC(=O)[C@H]1CC 1722496574 YBKJFRMXNAWWFY-RLLQIKCJSA-N 473.599 2.045 30 10 JEEE C=C(C)COCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC(=O)N(C)C[C@H]1C 1722531562 SNSPWESNRMTGIK-MRXNPFEDSA-N 459.547 2.231 30 10 JEEE C=CCCOCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1722624992 JDTYVYJFUQEJLM-JOCHJYFZSA-N 468.602 2.289 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1722695460 DHZNIJKTUGFSQY-UHFFFAOYSA-N 465.945 2.258 30 10 JEEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1722699014 QMHSKBZITYHQJB-RUZDIDTESA-N 482.633 2.396 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCO[C@@H](c2ccc(F)c(F)c2)C1 1722700464 KESCBLIRUBLFIS-HXUWFJFHSA-N 454.481 2.422 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCN(c2ncccc2F)CC1 1722705856 IZXQOIJMYJEXKY-UHFFFAOYSA-N 469.496 2.159 30 10 JEEE C=CCSCCn1c(N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)nnc1C(C)(C)C 1722739359 IAWFNPOSJITPIC-KRWDZBQOSA-N 457.666 2.126 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc(Br)cc1 1722863015 GPUVPLQCKFKDHP-KGLIPLIRSA-N 469.409 2.489 30 10 JEEE CC1CCN([C@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(OCC(N)=O)CC2)CC1 1726589472 AKEGMWWPJKAOTP-LJQANCHMSA-N 465.602 2.408 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(C)(C)N1CCOCC1 1740538769 OWKSXJHUCLHJBR-QGZVFWFLSA-N 473.647 2.115 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC[C@@H]1CCc2ccccc21)[C@H]1CCS(=O)(=O)C1 1740616331 YZXLBNUPZBCTIS-PMACEKPBSA-N 469.611 2.163 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1740618726 KFIOKZWYYOPBIN-HXUWFJFHSA-N 468.583 2.176 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccc(C#N)c3)n2Cc2cc(C)nn2C)n1 1740688229 SCRXQOCTQWARDB-UHFFFAOYSA-N 469.553 2.390 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@](C)(O)c2ccco2)CC1 1740689388 CVYKZIYJNCVURY-XMMPIXPASA-N 482.972 2.117 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2CC2(N3CCSCC3)CCCC2)CC1 1740691059 TVVKJTFBMKTSMI-NRFANRHFSA-N 476.691 2.119 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@@](C)(O)CCOC)CC1 1740692210 HRDXZLXPSZVUKZ-NRFANRHFSA-N 480.382 2.389 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@H](C2CC2)N(C)C)CC1 1740695008 ZVCTURWFTHSRFP-VXKWHMMOSA-N 485.677 2.488 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2C[C@@H]2CC=CCO2)CC1 1740707503 FGJDQOILQDQKQL-IBGZPJMESA-N 453.518 2.307 30 10 JEEE C#CCSCCn1c(-c2ccccc2OC)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1740715224 VDRCDBWXYNQUER-QHCPKHFHSA-N 468.583 2.135 30 10 JEEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1740880946 RQUAJHHMRHMNJQ-LJQANCHMSA-N 469.590 2.208 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccc(C(F)(F)F)n2)C1 1740972086 CKZQAXFWKARPTR-ZFWWWQNUSA-N 474.509 2.132 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC[C@@H](OCC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1748817993 UJYCALOSPCBBCP-VAMGGRTRSA-N 452.621 2.250 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1(S(C)(=O)=O)CCCC1 1748922722 JLRKIXWVERRBDO-UHFFFAOYSA-N 482.610 2.492 30 10 JEEE C=C(Br)Cn1c(COCC)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1749112382 GYOFGXSRVYWECP-UHFFFAOYSA-N 452.401 2.396 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1749368913 TYJMJDYLPHCOQM-ICSRJNTNSA-N 491.662 2.016 30 10 JEEE C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(Cc2c(CC)nn(C)c2Cl)CC1 1749604282 GPRHBJVXQQPDGZ-UHFFFAOYSA-N 469.981 2.383 30 10 JEEE C=CCNC(=O)Cn1c(N2CCN(C(=O)OC)[C@@H](C)C2)nnc1C1(c2ccccc2)CCC1 1749682722 ZBTXGPXBKSFWQB-SFHVURJKSA-N 452.559 2.327 30 10 JEEE CC1(C)CC(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@](C)(C#N)C2)C1 1751285851 BMYBIWWCAMUPJK-LAUBAEHRSA-N 450.609 2.177 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@H](C)c1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1760188787 DCSPVVSEHJJVSB-JXFKEZNVSA-N 468.583 2.299 30 10 JEEE C#CCN(CC#CC)c1nnc(COc2ccccc2OC)n1C[C@@H]1CCCS(=O)(=O)C1 1760223075 JPXKHTKPRCUXOP-IBGZPJMESA-N 456.568 2.153 30 10 JEEE C=C(C)COCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1760357541 KTKOQHRDPOVMME-LJQANCHMSA-N 489.621 2.199 30 10 JEEE C=CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1760430987 ALHQPDUPEMFRSQ-UHFFFAOYSA-N 453.595 2.403 30 10 JEEE C=CCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1760508890 SDDUCZBAVFYFAW-QGZVFWFLSA-N 466.546 2.459 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCCN(c2nc(CC)ns2)CC1 1760548689 NAKBIQJBZLEZBH-UHFFFAOYSA-N 453.638 2.133 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1760557120 APTFUINGPQUEIC-NRFANRHFSA-N 486.598 2.078 30 10 JEEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 1760565539 ZGQJQALCLBPCRY-SFHVURJKSA-N 456.620 2.388 30 10 JEEE CC(C)(C)OC(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](CN2CCOCC2)C1 1760790845 GXTQFJZLJJGPQM-HXUWFJFHSA-N 481.601 2.500 30 10 JEEE CCN(CC)C(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1764896395 FUGQMIXLFUFEFK-HXUWFJFHSA-N 499.641 2.225 30 10 JEEE CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCc2ccc(OCC(F)(F)F)nc2)CCOC1 1767482184 HREQJRYWSUOHFV-UTKZUKDTSA-N 496.490 2.238 30 10 JEEE COc1ccc(CCn2c(-c3cnccn3)nnc2N2CCO[C@H](C#N)C2)cc1Br 1770154372 CZCSOULYSIJTED-OAHLLOKOSA-N 470.331 2.478 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(CN2CCCC2=O)n1C[C@]1(C)CCCO1 1771099859 CQCHYAIYIMRWFA-DEOSSOPVSA-N 452.559 2.494 30 10 JEEE N#Cc1ccccc1S(=O)(=O)N1CCN(c2ccc(NS(=O)(=O)Cc3ccccc3)cn2)CC1 1858452717 KTOOEWRLOBRFJQ-UHFFFAOYSA-N 497.602 2.406 30 10 JEEE COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2CCNC(C)=O)cc1 1862574799 UDHMZGTZJZQRHP-OAQYLSRUSA-N 482.489 2.205 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc3c(c2)OCCO3)cc1 1862695126 AZSFKQAQDUWFQV-HSZRJFAPSA-N 480.517 2.377 30 10 JEEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccccc2C(=O)O)c1 1862701617 JNRSQUPVHDFPLC-OAQYLSRUSA-N 466.490 2.304 30 10 JEEE COCCc1nc(Nc2cccc(C#N)c2)cc(N2CCN(C(=O)CCN3CCCC3)CC2)n1 1868246224 CZEKLMWVIVYYRE-UHFFFAOYSA-N 463.586 2.415 30 10 JEEE COC(=O)c1ccc(/C=N/n2c(CCc3ccccc3OC)nnc2SCC(N)=O)cc1 1874313544 ZWXHFCASFXQLFX-ZMOGYAJESA-N 453.524 2.318 30 10 JEEE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2102380117 WNEQRJPIHNLAJH-UHFFFAOYSA-N 499.398 2.445 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CC[S@@](=O)(=NC(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)C1 2255532767 OVWQRXTZLMKJOL-VEWZGRNOSA-N 471.410 2.348 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)[C@@H](O)C1 2255608952 CECAXPBRVXKOAV-CABCVRRESA-N 452.382 2.147 30 10 JEEE CC1(C)OB(c2nscc2C(=O)N[C@H]2CCOC[C@H]2NC(=O)OCc2ccccc2)OC1(C)C 2255636604 WLNOMVKYVXZOMD-ZWKOTPCHSA-N 487.387 2.256 30 10 JEEE CN(CCCNC(=O)c1nn(C)c(Cl)c1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2255655087 HVKICXKWLAFSEO-UHFFFAOYSA-N 456.780 2.360 30 10 JEEE CC1(C)OB(c2occc2C(=O)N[C@@H]2CCOC[C@@H]2NC(=O)OCc2ccccc2)OC1(C)C 2255703437 SBHSMKWBKBTZFV-MOPGFXCFSA-N 470.331 2.393 30 10 JEEE CC1(C)OB(c2n[nH]cc2C(=O)N2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)OC1(C)C 2255827852 NTWKQPOZIWKPAK-SFHVURJKSA-N 468.363 2.488 30 10 JEEE CC(C)(C)OC(=O)N[C@H](C(=O)N1C[C@@H]2[C@H](C1)[C@@H]2B1OC(C)(C)C(C)(C)O1)[C@@H](O)C(F)(F)F 2265312183 PUYNSJMTUBCYAH-ZUWCUPBKSA-N 464.290 2.354 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCN(c2nccc(B3OC(C)(C)C(C)(C)O3)c2F)C[C@H]1CO 2266062273 OANIGVDSSUEXJC-GOEBONIOSA-N 451.348 2.232 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 2267136883 JAAHVTVRLPGWRY-CQSZACIVSA-N 467.397 2.116 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C[C@@H]1O 2267284010 WQWDVPGJXOHJHM-KFWWJZLASA-N 466.409 2.441 30 10 JEEE CC1(C)OB(c2cncc(S(=O)(=O)N[C@]3(C)CCN(Cc4ccccc4)C3)c2)OC1(C)C 2267377857 LMHGLMZJVCHDGG-HSZRJFAPSA-N 457.405 2.324 30 10 JEEE CC(C)(C)OC(=O)N1CCC(CO)(NC(=O)c2occc2B2OC(C)(C)C(C)(C)O2)CC1 2267496609 BZVGUXNMCVBXKG-UHFFFAOYSA-N 450.341 2.071 30 10 JEEE C[C@@H](CCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(O)cc1O)NC(=O)OC(C)(C)C 2267808123 UQYOFXBCFWXSFW-ZDUSSCGKSA-N 450.341 2.430 30 10 JEEE CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)cs1 2268639535 QGOVAMGJDWYABG-QGZVFWFLSA-N 465.425 2.215 30 10 JEEE C=C(CN(C)C(=O)CNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)B1OC(C)(C)C(C)(C)O1 2268656589 YRVOOWYUSHENGF-KRWDZBQOSA-N 453.389 2.298 30 10 JEEE CC(C)(C)OC(=O)NC1CC(O)(C(=O)Nc2nc(B3OC(C)(C)C(C)(C)O3)ccc2Cl)C1 2268724665 NOIBIHLBKVVKBT-UHFFFAOYSA-N 467.759 2.391 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2ccc(F)cc2B2OC(C)(C)C(C)(C)O2)C1 2281791516 ZCLPTNHIEYKSBK-RDTXWAMCSA-N 464.343 2.083 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(F)c(C(=O)N2CC(O)(CNC(=O)OC(C)(C)C)C2)c1 2282020387 YAKMSLGLRWAKGV-UHFFFAOYSA-N 464.343 2.145 30 10 JEEE CON(C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)C1CCN(C(=O)OC(C)(C)C)CC1 2282038816 NFKNHRYLYGBRCT-UHFFFAOYSA-N 464.372 2.122 30 10 JEEE C[C@@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)C[C@@H](C)N(C(=O)OC(C)(C)C)C1 2282044950 SQRYJKRTEKCPFF-HZPDHXFCSA-N 462.400 2.437 30 10 JEEE CC(C)(C)OC(=O)NCc1ncc(NC(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)cn1 2282175133 UJZIPVYCXIKSKS-UHFFFAOYSA-N 455.324 2.448 30 10 JEEE CN(CCN1CCN(C(=O)OC(C)(C)C)CC1)C(=O)c1ccoc1B1OC(C)(C)C(C)(C)O1 2282209485 SMLWPENTTRMORT-UHFFFAOYSA-N 463.384 2.204 30 10 JEEE Cc1nc(S(=O)(=O)N(Cc2ccccc2)C[C@@H]2CCCO2)c(B2OC(C)(C)C(C)(C)O2)n1C 2282505908 KWELSFIDJAXOGU-IBGZPJMESA-N 475.420 2.398 30 10 JEEE COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)N1CC[C@](C)(NC(=O)C(F)(F)F)C1 2282527577 FGSBJVISLGUAMY-FQEVSTJZSA-N 456.270 2.278 30 10 JEEE CC(C)(C)OC(=O)NCCCC[S@@](C)(=O)=NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2282675082 SHGLHZANPHBTAV-MGBGTMOVSA-N 482.412 2.319 30 10 JEEE CC1(C)OB(c2cc(F)cc(F)c2S(=O)(=O)N(CCC(N)=O)Cc2ccccc2)OC1(C)C 2282872313 UXOKOPGXVUXFGG-UHFFFAOYSA-N 480.342 2.330 30 10 JEEE COc1ccc(S(=O)(=O)N[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2282881992 FTPOMWXTFWWUMC-SHTZXODSSA-N 482.408 2.328 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)N1CCc2sc(B3OC(C)(C)C(C)(C)O3)cc2C1 2283955917 NVRMSFQFAYPNFR-HOTGVXAUSA-N 478.420 2.302 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@@H]1CC(=O)N=c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)[nH]1 2283986209 CTMVSKMXXWYPOC-AWEZNQCLSA-N 481.786 2.421 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2CCc3c(B4OC(C)(C)C(C)(C)O4)cccc32)C1 2284045342 LJXXPLCZYIXOOS-XMMPIXPASA-N 458.364 2.247 30 10 JEEE CC(C)(C)OC(=O)N[C@]1(C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)C[C@@H](O)C1(C)C 2284056885 QESGKBVPPLVXFM-PEBXRYMYSA-N 481.424 2.113 30 10 JEEE O=C(C=Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 2325490037 UWVNKMVIOXLCKG-UHFFFAOYSA-N 479.898 2.490 30 10 JEEE Cn1nc(C(=O)NC[C@H]2C[C@@H]3CC[C@H]2N3C(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2359269047 CHJBHGQVJSJHGY-HLLBOEOZSA-N 460.384 2.237 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C 2362428345 UFUYRFROZRULPN-IYBDPMFKSA-N 462.400 2.451 30 10 JEEE CC(C)(C)OC(=O)NC[C@@]1(Oc2ncccc2B2OC(C)(C)C(C)(C)O2)CCCS(=O)(=O)C1 2368394236 FVVSGJGUHYYMGK-QFIPXVFZSA-N 482.408 2.232 30 10 JEEE C=CCn1c(=C(C#N)C(=O)Nc2ccccc2)sc(=Cc2cc(OC)c3c(c2)OCCO3)c1=O 514920647 ZAPLZPQYLCNBQP-UHFFFAOYSA-N 475.526 2.017 30 10 JEEE CNS(=O)(=O)c1ccccc1N1CCN(C(=O)[C@@H](Oc2ccccc2C#N)C(C)C)CC1 524351424 ZQQUARKQQFVOOR-QFIPXVFZSA-N 456.568 2.219 30 10 JEEE CN(Cc1ccccc1B1OC(C)(C)C(C)(C)O1)S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 704305432 JNFCUXFDMSTFTK-UHFFFAOYSA-N 498.410 2.434 30 10 JEEE CC1CCC(C#N)(N(C)C(=O)[C@@H](C)OC(=O)c2ccc(CCNS(C)(=O)=O)s2)CC1 927614881 DJXRYHDZGIFHNT-RDYUPDBUSA-N 455.602 2.316 30 10 JEEE CCOc1ccc(C=NNc2nc(SCC(=O)Nc3ccc4c(c3)C(=O)NC4=O)n[nH]2)cc1 1084226129 GFFBFGWWMZATMI-UHFFFAOYSA-N 465.495 2.264 30 10 JEEE COc1ccccc1NC(=O)CCSc1n[nH]c(NN=Cc2c(C)nn(CCO)c2C)n1 1084566583 VNWIMOFUHJPRRH-UHFFFAOYSA-N 458.548 2.186 30 10 JEEE Cc1nn(CCO)c(C)c1C=NNc1nnc(SCC(=O)Nc2cc(Cl)cc(Cl)c2)n1N 1084588164 LPIWMMMQCXZHAR-UHFFFAOYSA-N 498.400 2.281 30 10 JEEE CC(=O)N1CCc2c(sc(NC(=O)c3ccc4c(c3)C[C@H](C)N4S(C)(=O)=O)c2C#N)C1 1131403080 BXMLLIYCRWNZJT-LBPRGKRZSA-N 458.565 2.487 30 10 JEEE C=CCn1c(SCC(=O)N[C@@H]2CC[C@H](CS(N)(=O)=O)C2)nnc1-c1ccc(Cl)cc1 1181473678 ONHCZJXNGYFPRX-XJKSGUPXSA-N 470.020 2.450 30 10 JEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCC[C@](COC)(C(=O)OCC)C2)cc1 1198244633 QQRNAEFKTQYKSQ-NRFANRHFSA-N 453.561 2.317 30 10 JEEE C=CCN1CC[C@@H](N(C)C(=O)c2cccc(S(=O)(=O)N(C)c3ccc(OC)cc3)c2)C1=O 1270492882 BCTBXMQUJZLXFT-OAQYLSRUSA-N 457.552 2.379 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@H](C)N1CCOCC1 1286291048 VEPIWENGRAKTBI-MOPGFXCFSA-N 463.586 2.244 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC)n2Cc2cccc(N3CCOCC3)n2)c1 1286310903 HMYMYFMANFQUAO-UHFFFAOYSA-N 459.554 2.177 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1ccnc(C(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 1286390662 DNXNTIXHGZKUAX-SFHVURJKSA-N 490.511 2.353 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(OC)ccc2Br)n1C[C@H]1CCS(=O)(=O)C1 1286402967 ZSGKQRMGLISWPD-OAHLLOKOSA-N 477.384 2.224 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](c2ccc(OC)cc2)N2CCCC2)CC1 1286471865 SEVPAONHYQCCIU-QHCPKHFHSA-N 479.629 2.017 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccccn3)n2C[C@H](C(CC)CC)N2CCOCC2)CC1 1286476470 XWJBCTJNJSTTTI-HSZRJFAPSA-N 451.619 2.232 30 10 JEEE C=CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC(=O)N1CCN(c2ccccc2)CC1 1286716586 HSARNBWEEZVVHT-RUZDIDTESA-N 468.602 2.290 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1286783261 IMALLYPVOVNMOA-OALUTQOASA-N 482.585 2.291 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1286791735 AVMNFJJUAIRXLQ-HSZRJFAPSA-N 485.976 2.298 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(NC(=O)C(C)C)CC1 1286817716 WYEIQOXQEYNMTI-UHFFFAOYSA-N 470.599 2.159 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1286821476 MHKYZMMOCMEGQB-OPAMFIHVSA-N 482.553 2.132 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCc3ccc(OC)cc3C2)nnc1[C@@]1(OCC)CCOC1 1286824536 DRZXLGWEDOVIAV-HSZRJFAPSA-N 476.599 2.102 30 10 JEEE CC(=O)N1CCC[C@@H](Cn2c(COc3cc(C)ccc3C)nnc2N2CCO[C@H](C#N)C2)C1 1286858627 CHDZHGCATGQOJF-NHCUHLMSSA-N 452.559 2.461 30 10 JEEE CC(C)(C)[S@](=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1287085504 DPVMHKNLXXARGK-USXNREEHSA-N 487.605 2.114 30 10 JEEE CCCn1nc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCN(C)C(C)C)c2ccccc2c1=O 1294770370 FAXMLSYEXBNSIZ-GOSISDBHSA-N 464.574 2.134 30 10 JEEE Cn1cc(CCCn2c(-c3ccc(C#N)cc3)nnc2N2CCC(S(C)(=O)=O)CC2)cn1 1298825760 DSEKJDLPZMSWFT-UHFFFAOYSA-N 453.572 2.196 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2Cc2nc(C)c(C)s2)c1 1300333086 VAFZCNZLRHZGDM-SFHVURJKSA-N 463.567 2.407 30 10 JEEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1Cc1ccc(C#N)o1)[C@@H]1CCS(=O)(=O)C1 1300504520 OFPUWACYZOYOGJ-QGZVFWFLSA-N 481.534 2.005 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1C[C@H](c1ccccc1)N1CCOCC1 1300553820 UIBYFVWSJJPOPY-HSZRJFAPSA-N 460.582 2.051 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CC2([S@](C)=O)CCC2)CC1 1300691395 XAOBHNSRDLJYNJ-XIFFEERXSA-N 471.627 2.409 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 1300763152 NNVMNRDBJLRJQZ-MRXNPFEDSA-N 461.569 2.018 30 10 JEEE C=C(C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1300936566 DLPJJYYUEHQONL-UHFFFAOYSA-N 480.613 2.326 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@]2(N(C)C)CCC[C@@H](C)C2)CC1 1301086503 KDXMKCYVQYSPLC-QTEQDKRBSA-N 480.679 2.278 30 10 JEEE C=CCCOCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(C(C)C)CC1 1301248916 LYJAFAJYJCNCCV-UHFFFAOYSA-N 461.636 2.361 30 10 JEEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1301510395 WPWYWGBGNRXRTH-UHFFFAOYSA-N 481.601 2.196 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1301568793 KFKWGLRJFNBNJD-PXNSSMCTSA-N 488.589 2.335 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc(C(=O)N2CCCC2)n1CC(F)(F)CNC(=O)OC(C)(C)C 1303628047 GDCBBFDJWYKVPB-AWEZNQCLSA-N 455.510 2.412 30 10 JEEE C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc(CC(=O)N2CCN(c3ncccn3)CC2)cc1 1310068911 DHWLHIQKVXYCIQ-FPOVZHCZSA-N 450.543 2.081 30 10 JEEE CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)c2ccco2)C[C@@H]1C 1313941175 ADOSOQUHKDFVOE-SFHVURJKSA-N 463.542 2.282 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCC(=O)N1CCCCC1 1358890098 KWPAWDHFVPHCBU-IBGZPJMESA-N 450.591 2.313 30 10 JEEE C#CCCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCN(C(=O)NCC)CC1 1358915418 BZZUIOFLJNNNNM-UHFFFAOYSA-N 492.672 2.298 30 10 JEEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(NC(=O)c2ccc(F)cc2)CC1 1358918619 ASSFZEOQEJNXDF-UHFFFAOYSA-N 452.534 2.465 30 10 JEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1358933894 HRJNHMLPCNEIIM-LJQANCHMSA-N 456.616 2.232 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1CC1CCN(CCC)CC1)[C@@H]1CCS(=O)(=O)C1 1358960479 FQXHGXXHPDCIGR-OAQYLSRUSA-N 456.616 2.089 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCN(CC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1358964749 GRHBVJSRDAMNFN-OAQYLSRUSA-N 459.591 2.119 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1359038901 PBMQCHCNPMTTED-GOSISDBHSA-N 478.018 2.091 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@H](C)CN2CCCCC2)CC1 1359042963 AQZZFKQOTNSVSI-HXUWFJFHSA-N 451.619 2.371 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN2C(=O)OC[C@H]2C1 1359048374 OJZGPXOJJZCHEK-GOSISDBHSA-N 454.556 2.154 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccc2OC)nnc1N1CCC(NS(C)(=O)=O)CC1 1359094601 CSUKJHRMAWZVKU-DYESRHJHSA-N 475.615 2.453 30 10 JEEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1359229010 VXJCZOJOPRTYQA-UHFFFAOYSA-N 467.549 2.331 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@]1(C)COCCO1 1359275149 LSXOXWJYQWMCFN-REWPJTCUSA-N 460.600 2.221 30 10 JEEE C=CCn1c(COc2ccccc2CC)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1359289869 RAZGZSZTDOWGGM-FQEVSTJZSA-N 475.615 2.236 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N(CCO)Cc1ccc(Br)s1 1359297893 GFMBFEKWHCRBQP-UHFFFAOYSA-N 465.377 2.398 30 10 JEEE C#CC1(F)CN(C(=O)c2cc(S(=O)(=O)Nc3cc([N+](=O)[O-])ccc3OC)ccc2F)C1 1471606969 LHWAYUKMWFBUOG-UHFFFAOYSA-N 451.407 2.341 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2CC[S@](=O)C(C)(C)C)CC1 1507735884 AGDIBLVLMVRESV-XIFFEERXSA-N 471.627 2.467 30 10 JEEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1507747429 JSJCJCXTVQFDMU-UHFFFAOYSA-N 477.638 2.318 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(CCC(N)=O)CC1 1507803475 FYHSDHWIDVZVNL-WIYYLYMNSA-N 467.574 2.389 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCc2ccccc2)nnc1N1CCN(CC(=O)NCC)CC1 1507803974 DMSVBDSQSBKNIW-RDGATRHJSA-N 466.630 2.303 30 10 JEEE C=C(Cl)Cn1c(COc2ccccc2OC)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1507873427 RGRCLNGCFVMKJK-UHFFFAOYSA-N 460.922 2.139 30 10 JEEE C=CCCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1507946422 QWRBCXGFVNURLQ-MRXNPFEDSA-N 464.592 2.080 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)CCN1CCOCC1 1508071879 GMEFMZOMIQPBMX-KRWDZBQOSA-N 458.632 2.202 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1508072847 KRXGVSJGPPLDPD-UHFFFAOYSA-N 492.422 2.043 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N(C)C[C@@H]1CCCOC1 1508086249 KHPYGLUIJCGCDJ-SFHVURJKSA-N 479.585 2.230 30 10 JEEE C=CCOc1ccccc1Cn1c(N2CCC(C(N)=O)CC2)nnc1[C@@]1(OCC)CCOC1 1508107476 CWDNXXPKAGRCNV-XMMPIXPASA-N 455.559 2.245 30 10 JEEE C=CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCCN(S(C)(=O)=O)CC1 1508158218 JLAGXBDFFNCPPD-UHFFFAOYSA-N 465.601 2.065 30 10 JEEE C[C@H](CN1CCOCC1)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCOC(C)(C)C1 1510103927 FXVVPVFWKOFRLE-LJQANCHMSA-N 454.575 2.312 30 10 JEEE CCn1cccc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(CCOC)[C@H](C)C2)c1=O 1515789909 GTJNGTGLXMHPKC-HXUWFJFHSA-N 491.596 2.116 30 10 JEEE CCN1CCN([C@@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](C(=O)OC)C2)CC1 1515890740 BFCOKZFYFJGXKI-SIKLNZKXSA-N 465.602 2.232 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2C[C@@H]2CCCN2CCCO)c1 1539043430 QNDSKOYOLYGVAV-GGAORHGYSA-N 480.613 2.075 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1CCOC1CCCCCC1)[C@H]1CCS(=O)(=O)C1 1539216671 VKOLMPACXJHYHH-SFHVURJKSA-N 458.588 2.101 30 10 JEEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1539237269 BSOZZABBKPWJBZ-LVXARBLLSA-N 478.597 2.060 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1CC1(S(C)(=O)=O)CCC1 1539242435 UUMIFIXKFMMFOP-UHFFFAOYSA-N 464.389 2.086 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1(OCCOC)CCOCC1 1539251396 FHFRWHBOGNDOSC-UHFFFAOYSA-N 466.538 2.001 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(Br)c2)n1CCS(=O)(=O)NC(C)C 1539300421 BPCCEOHPVJPDIK-UHFFFAOYSA-N 478.416 2.498 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(=O)N[C@H](C)CC)c1 1539323164 DJNBDJMSAHNFAS-DENIHFKCSA-N 481.622 2.220 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCN2CC)CC1 1539488690 NLQYTDUFULVANC-JOCHJYFZSA-N 475.597 2.179 30 10 JEEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1539519909 KYXHXFTTYRALCF-OAQYLSRUSA-N 451.600 2.349 30 10 JEEE C=C(C)COCCn1c(N2CCCC[C@@H](S(C)(=O)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1539758832 AEXAZGGDBKFXRK-DENIHFKCSA-N 470.636 2.315 30 10 JEEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)CC[C@@H]2C1 1539804520 XXPHDYXMSJBULM-CVEARBPZSA-N 466.970 2.150 30 10 JEEE C=CCCOCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](OC)C1 1540037697 PDGMBXMRVNAKSF-QZTJIDSGSA-N 451.568 2.404 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@@]2(CCOC2)C1 1540863612 ZJXUULZLKSRUQU-AOMKIAJQSA-N 461.950 2.369 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCO[C@@H](C(C)C)C1 1540869612 RLOOTIXYAKNVAU-HXUWFJFHSA-N 479.585 2.228 30 10 JEEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1540873806 KNCULCMMOIROEM-GOSISDBHSA-N 451.531 2.277 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C)C(=O)[C@H]1C 1540897684 PMNMHOGTQOCGAM-MOPGFXCFSA-N 475.615 2.303 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1540900499 XUDUEAXTGSNAOP-HXUWFJFHSA-N 489.642 2.103 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCC(C)(c2nc(C)no2)CC1 1540903632 DOMLGSQBUQBAST-UHFFFAOYSA-N 471.587 2.114 30 10 JEEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1CC1(C)CCOCC1 1541893749 AWFWDARMPBNCBW-KRWDZBQOSA-N 461.588 2.415 30 10 JEEE CCc1nc(CCn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CCO[C@H](C#N)C2)no1 1546366144 DFCKAKDNUXFWNX-QGZVFWFLSA-N 450.503 2.064 30 10 JEEE CN(C)C(=O)[C@@H]1CCCN1CCCn1c(-c2cnccn2)nnc1N(C)Cc1ccc(C#N)cc1 1552662189 HUFKZLREMZGMPC-QFIPXVFZSA-N 473.585 2.186 30 10 JEEE COc1ccccc1Cc1nnc(N2CCC[C@](C)(C#N)C2)n1CCC(=O)N1CCOCC1 1555073176 CWICKMHXZDLMCN-XMMPIXPASA-N 452.559 2.256 30 10 JEEE CS(=O)(=O)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCC2CCOCC2)CC1 1555810219 FPFNTDPZDDOHRR-UHFFFAOYSA-N 488.614 2.017 30 10 JEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCOC[C@@H]1c1nc2ccccc2s1 1556312853 HCLPQQILYDNVIX-KBXCAEBGSA-N 456.549 2.435 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1588811136 ASXDELUBGGFWFF-PMACEKPBSA-N 499.660 2.063 30 10 JEEE C#CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC(C(=O)NC)CC1 1588976346 VCAJPSCRPQFFFI-UHFFFAOYSA-N 475.018 2.190 30 10 JEEE C=C(Br)Cn1c(N2CC[C@@H](N3CCN(C(C)C)CC3)C2)nnc1[C@]1(OCC)CCOC1 1589459803 DJPLRWPOOPTJQT-KNQAVFIVSA-N 497.482 2.444 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1589482210 HMSKQOFFFLJBGN-UNMCSNQZSA-N 484.649 2.070 30 10 JEEE C=CCOc1ccc(Cn2c(C)nnc2N2CCN(C[C@@H]3CN(C(C)C)CCO3)CC2)cc1 1595608528 SRYDMIBVNOXGKW-XMMPIXPASA-N 454.619 2.431 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCn2cncn2)C1 1595720566 ACHRIHHSHSTHQQ-RTBURBONSA-N 472.594 2.466 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Br)nnc1N1CCN(C(C)=O)C[C@H]1C 1595778312 XRIFDYXYTVUTIC-OAHLLOKOSA-N 496.431 2.365 30 10 JEEE Cc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)[C@@H](C)CC#N)c(O[C@H]2CCOC2)c1 1612079979 GZQPIDTXEIJIOQ-SXLOBPIMSA-N 473.599 2.443 30 10 JEEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCNS(=O)(=O)Cc2ccon2)C[C@@H]1C 1612917063 IAAOIQHGBCJHKQ-HOTGVXAUSA-N 455.544 2.017 30 10 JEEE CCOC(=O)[C@H]1S/C(=N/C(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)N(C)[C@@H]1C 1613895716 JIULWLRYRVTVIP-CGRFMXQNSA-N 459.615 2.030 30 10 JEEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@](C)(O)C2CC2)C[C@H]1C 1619951448 DSEJXIQGXHGIRY-HOYKHHGWSA-N 454.575 2.047 30 10 JEEE N#Cc1cccc(OC2CCN(C(=O)[C@@H](CC(N)=O)NC(=O)c3ccccc3Cl)CC2)c1 1633108132 ANZYHXFVNHBYSP-HXUWFJFHSA-N 454.914 2.255 30 10 JEEE C=CCNS(=O)(=O)c1cccc(C(=O)N(C)Cc2nnc3n2C[C@H](C(F)(F)F)CC3)c1 1645377261 AWIWKBBNDOCBAA-CQSZACIVSA-N 457.478 2.139 30 10 JEEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCN(c3cccc(Cl)c3)CC2)c(Cl)c1 1660071785 GGCOPSHPLHQBLE-UHFFFAOYSA-N 453.351 2.492 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(N2CCOCC2)CC(OCC)C1 1689831965 UXAFOEYHUDSHGC-IRXCRNFVSA-N 475.634 2.047 30 10 JEEE C#CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)[C@H](C)CS(=O)(=O)CC 1689926879 ZSUVVKKCLLBJJX-QGZVFWFLSA-N 470.599 2.348 30 10 JEEE C#CCN(c1nnc(-c2cc(C)nc3ccccc23)n1C[C@H](C)OC)[C@H]1CCS(=O)(=O)C1 1689982185 JDMJWFWZQNFCLA-ROUUACIJSA-N 453.568 2.463 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CC(C)(C)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1689982331 KVGIVXJFRYVDFJ-BEFAXECRSA-N 478.537 2.145 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CC[S@@](=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1689992209 ILMJLUJSHMRQHT-MWOWJKGTSA-N 498.621 2.321 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H]1CN(CC(C)C)CCO1 1690015765 XICLGFCAIUBPDW-IBGZPJMESA-N 459.554 2.024 30 10 JEEE C#CCN(CC#C)c1nnc(CSc2ccc(C)cc2)n1CCN/C(O)=C1/N=CC=CC1=O 1690028423 VRBLFMHPYSNBDN-FCQUAONHSA-N 460.563 2.478 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OC(F)F)c(F)c1 1690032531 DEBZITRTJGWOJT-CQSZACIVSA-N 469.489 2.140 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](CC)c3ccccc3)n2CC(=O)NCC(F)F)CC1 1690137688 GNOZYDGWROKHCJ-LJQANCHMSA-N 472.540 2.167 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2CCCN2CCCO[C@H](C)C2)CC1 1690139310 HBRKYWCRLMRTMT-OAQYLSRUSA-N 494.640 2.420 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2C[C@@H]2CCCOC2)CC1 1690150604 NUUFEKZWYKXHKM-FQEVSTJZSA-N 451.571 2.292 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](C(N)=O)C1 1690239205 TUMQJDYDAPFXQV-NSHGMRRFSA-N 473.599 2.032 30 10 JEEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1690308723 XOZKMDDILAQZKP-HXUWFJFHSA-N 455.607 2.009 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)NCc2ccccc2)CC1 1690430168 FADCWMFHILPUGB-NRFANRHFSA-N 479.629 2.270 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCC2(CCN(C)C2=O)CC1 1690665508 GMGHSYBSWQIIKJ-UHFFFAOYSA-N 496.612 2.492 30 10 JEEE CC(C)Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCC(=O)N1CCCCC1 1692218305 AJGYXQMVSNNGIG-LJQANCHMSA-N 465.606 2.256 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc(-c2ccccc2Cl)n1CCNS(=O)(=O)Cc1ccon1 1692657163 DVGVBIMGMAWRSB-AWEZNQCLSA-N 463.951 2.444 30 10 JEEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1705525611 ORKOEMRGHJURFC-UHFFFAOYSA-N 476.423 2.440 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1C[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1705560180 FEAZANWIDDJBOL-KCQAQPDRSA-N 452.378 2.318 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1705562956 NMCBFKGDJQKLSL-UYAOXDASSA-N 489.642 2.318 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CC[S@@](=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1705568297 KFYISYYKXPNOFW-PSTIOWGYSA-N 492.667 2.339 30 10 JEEE C#CCN(c1nnc(COCC)n1C[C@@H](c1c(F)cccc1F)N(C)C)[C@H]1CCS(=O)(=O)C1 1705568494 OPDSWOMBJZTSGZ-LPHOPBHVSA-N 481.569 2.022 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCSc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1705572103 QROGTZBQBGLCBZ-ZVDOUQERSA-N 490.651 2.421 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(OC)ccc2Br)n1CC(=O)NCC(F)(F)F 1705577126 UZXTZJKKQCMRFZ-UHFFFAOYSA-N 484.276 2.468 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1cc(Br)ccc1F 1705588707 IWASCJBGVSRILK-HNNXBMFYSA-N 496.406 2.496 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCN2CCOC[C@H]2C)CC1 1705633754 XPOGJZXKMDKXOP-WOJBJXKFSA-N 456.566 2.033 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC2CCCC2)CC1 1705634116 JWIFQHQMKPXCPW-UHFFFAOYSA-N 456.616 2.141 30 10 JEEE C=CCCOCCn1c(COc2ccccc2F)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1705832087 MIABNCIEQSPIAM-UHFFFAOYSA-N 488.564 2.163 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C2CC2)C1 1705906142 ULTAOOGUONNEJA-VQTJNVASSA-N 481.601 2.306 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cccc(CN2CCOCC2)c1 1722282549 ZEDDKBDHNPDNDG-NBGIEHNGSA-N 453.587 2.269 30 10 JEEE C#CCCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1722308605 ONKDXPHSWIJGPP-NRFANRHFSA-N 498.603 2.342 30 10 JEEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N1CCC(C(=O)NCCCN2CCCC2)CC1 1722333979 QTNXVCHWOXRWMA-JOCHJYFZSA-N 456.635 2.404 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCc1nccs1)[C@H]1CCS(=O)(=O)C1 1722358430 BNLQMUDJRKPDHS-KRWDZBQOSA-N 457.581 2.280 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CC=CCO1)[C@@H]1CCS(=O)(=O)C1 1722365870 PUCAXRWQQGHTSO-SJORKVTESA-N 494.415 2.018 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CCc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1722367560 WMPGLCWMFODMBX-OAQYLSRUSA-N 453.543 2.272 30 10 JEEE C#CCN(CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1722403609 XZXPXMMDJFLEBT-LSDHQDQOSA-N 461.526 2.133 30 10 JEEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CC2=CCN(C(=O)OC(C)(C)C)CC2)CC1 1722438133 MWZOIZZPTFKAGI-UHFFFAOYSA-N 464.574 2.058 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2CCN(C)CC(F)(F)F)CC1 1722445495 SAYUTDYVNCOWGK-UHFFFAOYSA-N 478.519 2.414 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1722694172 NALYVVTUMYJVRZ-QGZVFWFLSA-N 473.375 2.211 30 10 JEEE C=CCNC(=O)Cn1c(N2CCO[C@H](c3cccc(C#N)c3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1722703979 NCCBYLSBUIUIPK-SQJMNOBHSA-N 480.569 2.070 30 10 JEEE C[C@@H](CN(C)c1nnc(-c2ccc(C#N)cc2)n1CC(=O)N1CCOCC1)c1nccs1 1723804716 CPSOQCVNPAGVCG-INIZCTEOSA-N 451.556 2.372 30 10 JEEE CCCn1nc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H](C)COC)c2ccccc2c1=O 1728161838 AHKVXXQHMYTXDZ-DLBZAZTESA-N 451.531 2.076 30 10 JEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1740573276 ASPYHODSCKJEOU-SFTDATJTSA-N 453.568 2.433 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Cl)n1CC(=O)NCc1ccco1)[C@H]1CCS(=O)(=O)C1 1740619298 HIRYJYUVLRBXMS-INIZCTEOSA-N 487.969 2.135 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@@](C)(O)CCC)[C@H]1CCS(=O)(=O)C1 1740627989 MEIXMWKDPNXJRN-JTSKRJEESA-N 464.563 2.174 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccnc1OCC(F)F 1740645165 ALBAQKNVRDTTSF-UHFFFAOYSA-N 465.464 2.476 30 10 JEEE C#CCN(CC#CC)c1nnc(Cc2cccnc2)n1CCOc1ccc(S(C)(=O)=O)cc1 1740654440 JLOXPRIBVXYISK-UHFFFAOYSA-N 463.563 2.209 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1conc1COC 1740656793 NAJCBFWNAIZWSE-FQEVSTJZSA-N 484.557 2.232 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@]1(O)CCSC1 1740683651 CAKDQWDXRPHSQI-XMMPIXPASA-N 482.610 2.190 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](CC)c3ccccc3)n2C[C@H]2CCCN2CCCO)CC1 1740690350 ISRIUOOFTDZDRG-RPWUZVMVSA-N 450.631 2.422 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H](CC)OC)CC1 1740703268 LYOJRBOZFPCKEE-IBGZPJMESA-N 455.559 2.353 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(N(CC)CC)nc1 1740724446 CIFPTWHBYKSANP-VGOFRKELSA-N 459.620 2.170 30 10 JEEE C=C(Br)Cn1c(COc2ccc(F)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1740748134 HEZFLKGDAOZNJA-QGZVFWFLSA-N 468.327 2.246 30 10 JEEE C=C(Br)Cn1c(N2CC[C@@H](N3CCCC3=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1740749593 ZURRDGVEYOGSKW-OXQOHEQNSA-N 468.396 2.428 30 10 JEEE C=C(C)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1740778722 BSMHCTBPKRLWMC-IBGZPJMESA-N 494.600 2.078 30 10 JEEE C=C(C)COCCn1c(Cc2c(F)cccc2F)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1740793054 ODQUBYVJJUECFM-LJQANCHMSA-N 474.512 2.213 30 10 JEEE C=C(C)COCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCCN(C(C)=O)CC1 1740796337 VJWQMSAXLFYHQZ-UHFFFAOYSA-N 495.672 2.294 30 10 JEEE C=CC[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)COC)CC1)c1ccccc1 1740854203 DNOLEMJPJQIXBP-TZIWHRDSSA-N 466.586 2.321 30 10 JEEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)N(C)C(=O)OC(C)(C)C)C1CC1 1740905639 DESMWXNFHMIIGT-GJZGRUSLSA-N 456.613 2.299 30 10 JEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CC[C@](O)(c2ccccc2F)C1 1740961402 BCWIRDOYGWVMMS-JOCHJYFZSA-N 456.547 2.173 30 10 JEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(NC(=O)c2ccc(C)s2)CC1 1740963211 DCZGBIVPKIYNIY-UHFFFAOYSA-N 496.641 2.211 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCC[C@H](NC(=O)OCC)C1 1740965039 YWDAYZQRRXCUBS-INIZCTEOSA-N 460.510 2.013 30 10 JEEE C=CCNC(=O)Cn1c(N2CCO[C@H](Cc3ccccc3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1740966207 WVEHLHATRBUPLT-PXDATVDWSA-N 469.586 2.069 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1740966914 YSZJJNBAKBOIOH-YLHGCELOSA-N 461.607 2.273 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N(C)CC(=O)Nc1cc(F)cc(F)c1 1740991528 YIYQRMIBTFXJHI-SFHVURJKSA-N 483.541 2.474 30 10 JEEE C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1)N(C)C 1741838983 BYYIALPPXJJOMO-NHCUHLMSSA-N 478.645 2.290 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccc(Cl)cc2C1 1748752088 RPGVWHZFJFVCKL-LJQANCHMSA-N 463.991 2.241 30 10 JEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCC[C@]2(CCOC2)O1 1748790507 YZDRZAHNPZBCRG-YDIMBITNSA-N 475.590 2.384 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1CCCN(C)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1748812191 RTAUENCHUFPETQ-HXUWFJFHSA-N 471.631 2.016 30 10 JEEE C#CCN(c1nnc(COc2ccccc2OCC)n1CC1(O)CCCC1)[C@@H]1CCS(=O)(=O)C1 1748824346 OLJLWELNTHNTCV-LJQANCHMSA-N 488.610 2.188 30 10 JEEE C#CCSCCn1c(Cc2ccccn2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1749039814 BZFXKTISAQIJFA-REWPJTCUSA-N 481.670 2.009 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1749118687 IJWUVVKBTXHACQ-QEEHTWDDSA-N 493.634 2.020 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CC[C@@H](C(=O)N(C)c2ccccc2)C1 1749740690 HPNKPNLYQCQCCU-UYAOXDASSA-N 473.599 2.220 30 10 JEEE C[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1)N(C)C1CC1 1751122304 GYYLQVHCXBTTOZ-AZUAARDMSA-N 485.658 2.407 30 10 JEEE Cc1cc(F)ccc1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1751430533 DYKCHGDTNRCABB-HXUWFJFHSA-N 476.578 2.041 30 10 JEEE Cc1ccc(NC(=O)c2nnc(N(C)[C@H](C)CC#N)n2C[C@H]2CCN(S(C)(=O)=O)C2)cc1C 1751535226 FDKIVHUHJNYTFD-MSOLQXFVSA-N 473.603 2.167 30 10 JEEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1760132020 BMDUNAYDYPRERK-OAQYLSRUSA-N 468.583 2.464 30 10 JEEE C#CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CCS(C)(=O)=O 1760160201 BAZNUFARHOXGPE-QGZVFWFLSA-N 453.609 2.287 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1CCCS(=O)(=O)C1 1760209096 VAALLGXDBBBWKQ-LJQANCHMSA-N 488.013 2.149 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)cc(OC)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1760289419 OHWLVNDKPBMVIU-KFXXGIBVSA-N 476.537 2.481 30 10 JEEE C=C(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1760346407 XVIRBFPPPLIJIC-UHFFFAOYSA-N 488.662 2.279 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCS(=O)(=O)CC)CC1 1760401792 CEKAWPPQNWCTHY-SFHVURJKSA-N 483.635 2.424 30 10 JEEE C=CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1760429558 IFHYIPZZVDEFQD-IBGZPJMESA-N 485.658 2.369 30 10 JEEE C=CCCOCCn1c(Cc2c(F)cccc2F)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1760451413 IOBOZAZGARBKNZ-UHFFFAOYSA-N 474.512 2.260 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@H](c2ccc(F)c(F)c2)C1 1760514481 HEHXFGHGHRTRJX-IBGZPJMESA-N 476.528 2.355 30 10 JEEE Cc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CC2CCN(CCN(C)C)CC2)cc1 1761837130 GDRGKKYTOSNZHV-QHCPKHFHSA-N 467.618 2.168 30 10 JEEE CN(C)C(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC2CCOCC2)CC1 1768437795 CDJHJHQJBWVRFE-UHFFFAOYSA-N 465.602 2.234 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc3cccnc23)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1772660396 RJEHUPKJWDJTJC-SJORKVTESA-N 491.639 2.352 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCc2cc([N+](=O)[O-])cc3c2OCOC3)cn1CCO 1870589562 BNBOTVJHSSBYEG-UHFFFAOYSA-N 457.483 2.368 30 10 JEEE C#CCOc1cn(Cc2ccc(S(N)(=O)=O)cc2)c(CNc2ccc(OC)cc2C)cc1=O 1871007976 AWCLFUKILUXXOP-UHFFFAOYSA-N 467.547 2.485 30 10 JEEE O=c1c(Cl)c(N/N=C/c2ccc(O)c(Br)c2)cnn1[C@H]1CCS(=O)(=O)C1 1873529790 ZBVPBMPYOOTGLJ-UTUJXRGNSA-N 461.725 2.170 30 10 JEEE COc1ccc(OC)c(/C=N/n2c(CNC(C)=O)nnc2SCC(=O)NC2CCCCC2)c1 1874434097 NHQJEWGMITUMJX-WYMPLXKRSA-N 474.587 2.355 30 10 JEEE C=CCn1c(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc2c(NCCCO)ncnc21 1875228952 KOPKMRYEYNVRRU-UHFFFAOYSA-N 478.553 2.098 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CCNC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)C(=O)O 2059767506 MAJFIXQTTUGECD-HUUCEWRRSA-N 456.540 2.448 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1COCCN1C(=O)c1csc(B2OC(C)(C)C(C)(C)O2)c1 2255710549 MHEJQLNEVUKSBZ-OAHLLOKOSA-N 452.382 2.413 30 10 JEEE CC1(C)OB(c2scnc2C(=O)NC2(CN)CCN(Cc3ccccc3)CC2)OC1(C)C 2267477185 IDDYJQOTGGFTTK-UHFFFAOYSA-N 456.421 2.166 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1 2267518544 CHGYMSFWOVOYGU-QHCPKHFHSA-N 457.405 2.118 30 10 JEEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)CC1(O)CN(C(=O)OC(C)(C)C)C1 2268638077 HCKCJSXOTONSQQ-UHFFFAOYSA-N 466.409 2.378 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@](CO)(NC(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2F)C1 2281765606 YSNADHHMDNQSCD-QHCPKHFHSA-N 464.343 2.227 30 10 JEEE CC1(C)OB(c2n[nH]cc2C(=O)N2CCCN(Cc3ccccc3)CCOCC2)OC1(C)C 2281978557 FONKKDKKYMPOEM-UHFFFAOYSA-N 454.380 2.074 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@]12CC[C@H]1CN(Cc1ccccc1)C2 2282020232 WEIFNMHHHBHVMX-UQBPGWFLSA-N 450.392 2.361 30 10 JEEE C[C@H]1CCN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C[C@@H]1CNC(=O)OC(C)(C)C 2282030411 FREIFCNGCZEKHV-HOTGVXAUSA-N 460.384 2.399 30 10 JEEE CC[C@H]1CC[C@H](NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CN1C(=O)OC(C)(C)C 2282173618 AHFZGZBYLIIEKA-GJZGRUSLSA-N 463.388 2.022 30 10 JEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CCNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2282181466 GLKVBKNYFWSIGM-JKSUJKDBSA-N 460.384 2.399 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2CCO[C@]2(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2282200164 NIPQAFNYJMERNG-IQMFZBJNSA-N 461.368 2.070 30 10 JEEE Cc1cc(S(=O)(=O)N2[C@H]3CC[C@H]2CN(C(=O)C(F)(F)F)C3)sc1B1OC(C)(C)C(C)(C)O1 2282305241 WANQJPBIWQEZRO-STQMWFEESA-N 494.366 2.282 30 10 JEEE CC1(C)OB(c2cnc(C(=O)N[C@@H]3CCOC[C@@H]3NC(=O)OCc3ccccc3)c(F)c2)OC1(C)C 2282536053 XESLINDCVHVASZ-UXHICEINSA-N 499.348 2.334 30 10 JEEE C[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)N(C(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C1 2282538862 LVMMYVIJVHAXSK-JKSUJKDBSA-N 462.400 2.485 30 10 JEEE C[C@H](CNC(=O)c1occc1B1OC(C)(C)C(C)(C)O1)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 2282551689 FMCHUYSVRLGAFC-CMJOXMDJSA-N 464.368 2.317 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCOC[C@H](NC(=O)OC(C)(C)C)C2)n1 2282552326 JUPAUPFVHBMTGC-MRXNPFEDSA-N 461.368 2.055 30 10 JEEE Cc1nn(C)c(C(=O)N[C@@]2(CF)CCN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2282586278 WTIXIRDSSIVXGY-JOCHJYFZSA-N 466.363 2.107 30 10 JEEE Cc1c(C(=O)N(C)C[C@H]2CCCN2C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282595824 ZEWYUSHYICXGRW-MRXNPFEDSA-N 462.400 2.499 30 10 JEEE Cn1ncc(CNC(=O)OC(C)(C)C)c1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2282674211 HIXAMXMIUQQKPQ-UHFFFAOYSA-N 457.340 2.391 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(C(=O)N[C@@H](C)C2(O)CN(C(=O)OC(C)(C)C)C2)c1 2282681774 HBFRZYMHUNRQMA-INIZCTEOSA-N 460.380 2.394 30 10 JEEE CCC1(NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CCN(C(=O)OC(C)(C)C)CC1 2282684957 YMENSWNTBJCHME-UHFFFAOYSA-N 463.388 2.024 30 10 JEEE CC(C)(C)OC(=O)N1CC(F)(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(O)cc2O)C1 2282982843 MJZLWHKZVOHPEN-UHFFFAOYSA-N 466.315 2.086 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2283944117 JDDSEGMXTVEQNO-UKRRQHHQSA-N 465.331 2.076 30 10 JEEE CO[C@H]1C[C@@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)N(C(=O)OC(C)(C)C)C1 2283948396 MKAYPGJWWZPRLZ-HOCLYGCPSA-N 465.331 2.483 30 10 JEEE Cn1cc(C(=O)N2CC(F)(F)C[C@@H]2CNC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2296416327 QBHNFBREUFVBHT-CYBMUJFWSA-N 470.326 2.094 30 10 JEEE C[C@H](C#CC(=O)N[C@]1(C(=O)O)CC[C@H](CNC(=O)OC(C)(C)C)C1)NC(=O)OC(C)(C)C 2318619193 IMTMWFVAIHJOTQ-ZCCHDVMBSA-N 453.536 2.167 30 10 JEEE COc1ccc(N2C[C@@H](c3nnc(SCC(N)=O)n3N=Cc3ccccc3OC)CC2=O)cc1 2325880667 JDPRXXOQYYQBQV-INIZCTEOSA-N 480.550 2.275 30 10 JEEE CCCN(CCC)C(=O)CSc1nnc(CNC(C)=O)n1N=Cc1ccccc1[N+](=O)[O-] 2330778042 OASSEXYJRYKOKJ-UHFFFAOYSA-N 461.548 2.445 30 10 JEEE CCOc1cc(C=Nn2c(CCOC)nnc2SCCCO)ccc1OCC(=O)N(CC)CC 2331305238 HBJPEQYERXIUBW-UHFFFAOYSA-N 493.630 2.470 30 10 JEEE COC(=O)c1ccc(NC(=S)/N=C(/Nc2nc(C)cc(C)n2)N2CCC(C(N)=O)CC2)cc1 14161077 XTJIPEZXVDUDKR-UHFFFAOYSA-N 469.571 2.242 30 10 JEEE COCCn1cc(/C=N/Nc2nc(SCCC(=O)Nc3ccc(C(C)=O)cc3)n[nH]2)cn1 59887295 ZHLBZVMOVUOIHO-SRZZPIQSSA-N 456.532 2.417 30 10 JEEE COCCn1cc(/C=N/Nc2nc(SCC(=O)N[C@@H]3CCCc4ccccc43)n[nH]2)cn1 59887371 XEKQWOYAUWPWJO-NMONLQQWSA-N 454.560 2.380 30 10 JEEE CCOc1cc([C@H]2C3=C(O)N=C(NCc4ccc5c(c4)OCCO5)NC3=NC(=O)[C@@H]2C#N)ccc1O 72472487 MVPVQQMADJMRCO-FOIQADDNSA-N 489.488 2.243 30 10 JEEE Cc1nc2ccccn2c1/C(O)=C1/C(=O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1ccco1 103096967 XWRHAMHQTZYHIP-DQVIVYRFSA-N 450.495 2.380 30 10 JEEE CCOC(=O)CSc1nnc(N/N=C/c2c(C)nn(-c3ccccc3)c2N2CCOCC2)[nH]1 253571306 OUBQBCGWIDTKGA-LPYMAVHISA-N 470.559 2.237 30 10 JEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1cccc(C(C)C)c1 729668950 GQNAMSPYVVNGPI-UHFFFAOYSA-N 469.570 2.475 30 10 JEEE C#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)[C@@H]1COC[C@H]1C(=O)O 757270543 RMLXUOQYZWJBNF-XPWALMASSA-N 462.502 2.475 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)O[C@H](C)C(=O)N(C)C[C@@H]3COc4ccccc4O3)cc2C1=O 853262475 XVAMYPCQTRAQEV-NVXWUHKLSA-N 464.474 2.312 30 10 JEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1 1286349975 ROHOXWQPWIOIJQ-SFHVURJKSA-N 476.002 2.209 30 10 JEEE C#CCCCn1c(CCc2ccc(OC)cc2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1286355742 YDSMGEIHUDPQRV-OAQYLSRUSA-N 471.627 2.490 30 10 JEEE C#CCN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C/C=C\CC)[C@@H]1CCS(=O)(=O)C1 1286381933 PTNNZNPPIOKCET-SFFCAUCYSA-N 476.002 2.454 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1Cc1ccc(C#N)o1)[C@@H]1CCS(=O)(=O)C1 1286388563 RIRPXLVTDYPVOT-MRXNPFEDSA-N 481.534 2.102 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CC1(N(C)C)CCC1)[C@@H]1CCS(=O)(=O)C1 1286391911 FRNKUULYUBVMDZ-HXUWFJFHSA-N 459.591 2.119 30 10 JEEE C#CCN(c1nnc(COCC)n1Cc1ccc(Cl)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1286397750 UMTXJKODNAOJHH-INIZCTEOSA-N 452.964 2.152 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1cc(C)no1 1286422710 ONMFZBABKCEPKC-UHFFFAOYSA-N 451.556 2.354 30 10 JEEE C#CCN(CCOC)c1nnc(Cn2ccc3ccccc32)n1CC(C)(C)N1CCOCC1 1286469761 YUMMZTKUWSSSOE-UHFFFAOYSA-N 450.587 2.478 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@H](C)CNC(=O)OC(C)(C)C)CC1 1286490244 OLJOTGGQCMSSPF-GOSISDBHSA-N 481.601 2.467 30 10 JEEE C#CCSCCn1c(-c2ccccc2C)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1286498608 ARFNFHLVVVPXMS-QHCPKHFHSA-N 452.584 2.434 30 10 JEEE C#CCSCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)[C@H](C)CC(N)=O 1286504137 IRQCBINUFKQLOI-MRXNPFEDSA-N 467.599 2.302 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCCN(C(C)=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1286564469 VPSYQAQFHGPHTR-HFMPRLQTSA-N 461.607 2.359 30 10 JEEE C=C(C)COCCn1c(Cc2cn3ccccc3n2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1286609071 HBTQKWCZHQSHCR-FQEVSTJZSA-N 451.575 2.414 30 10 JEEE C=C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H](C)CN2CCOCC2)CC1 1286641347 WPTYKLLTHBJSJE-LJQANCHMSA-N 459.616 2.473 30 10 JEEE C=CCCOCCn1c(-c2cccc3cccnc23)nnc1N1CCO[C@H](CNC(C)=O)C1 1286709579 YGDLYOQXANGEQP-HXUWFJFHSA-N 450.543 2.427 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2CCC(F)(F)CC2)C1 1286809223 HJYUKFDABHIQHL-ZWKOTPCHSA-N 489.589 2.218 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1C[C@H](C)C[C@H]1CC 1286818810 OXLZRBFXFCSACO-IAGOWNOFSA-N 480.660 2.464 30 10 JEEE C[C@@H](CC(N)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCn1cc(Br)cn1 1288537429 DDPFBDZZWYJCPO-ZDUSSCGKSA-N 457.336 2.176 30 10 JEEE CC[C@H]1CCCCN1CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](C#N)C1 1293362549 DZBUCWJOVMYFHI-PMACEKPBSA-N 472.615 2.342 30 10 JEEE CCCn1nc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCC(=O)N(C)C)c2ccccc2c1=O 1294766592 CYRVQMPRECZWBL-XMMPIXPASA-N 480.548 2.375 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(F)cc2Br)n1CCC[C@@H]1NC(=O)NC1=O 1300286612 LMGDDJBSWKATHB-ABAIWWIYSA-N 463.311 2.293 30 10 JEEE C#CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](COC)C1 1300362795 AESGGCXTWUIWPJ-MOPGFXCFSA-N 463.579 2.242 30 10 JEEE C#CCN(c1nnc([C@@H]2COc3ccccc3O2)n1CC(=C)Br)[C@@H]1CCS(=O)(=O)C1 1300496437 RICDXZPLJRXPEL-QAPCUYQASA-N 493.383 2.326 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccc(OCC(C)C)cc1)[C@H]1CCS(=O)(=O)C1 1300496640 SPBBLXVHMVTCPG-SFTDATJTSA-N 472.611 2.492 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccccc1OC)N1CCCC1 1300537463 HKWUCIAASYDYJM-IRLDBZIGSA-N 481.622 2.099 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCCc1cnn(C)n1 1300618217 AYAZAOZAUYICSG-UHFFFAOYSA-N 459.558 2.286 30 10 JEEE C=C(Cl)Cn1c(C(=O)NC(C)C)nnc1N1CCN(CCCOCC(F)(F)F)CC1 1301013578 QYOZSPWCKBEUNC-UHFFFAOYSA-N 452.909 2.260 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2CCN(CC(F)(F)F)CC2)C1 1301558854 ZURCZBNPHWVDCX-ZWKOTPCHSA-N 491.580 2.236 30 10 JEEE C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1)N(C)C 1303693121 CDXRMMNKCNMJPB-HXUWFJFHSA-N 478.645 2.338 30 10 JEEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCC(CC#N)CC3)n2CCc2ccc(F)cc2)C1 1316354339 GLLZQYRZLZZVIU-HXUWFJFHSA-N 476.578 2.123 30 10 JEEE N#CCCN(CC1CC1)c1nnc(CN2CCCC2=O)n1C[C@H]1CCN(CC(F)(F)F)C1 1316536134 CJQPDWYSOGJXIA-KRWDZBQOSA-N 453.513 2.415 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC(=O)N(C)CC)[C@@H]1CCS(=O)(=O)C1 1358957167 QMDXRZBKGLHZTM-FUHWJXTLSA-N 494.017 2.177 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1CCCS(=O)(=O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1358963957 QLOKQIPWDAHGCJ-LJQANCHMSA-N 492.667 2.357 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC(C)(C)CCOC)CC1 1359036131 NYBLYFNULQRDMO-HXUWFJFHSA-N 490.649 2.404 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(CC)CC)n1CC1(N2CCOCC2)CC(OCC)C1 1359063278 NCOQKOXSRLVEBX-DKEBNAFJSA-N 486.661 2.459 30 10 JEEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(Cc2cscn2)CC1 1359125959 ALVCWBYSIXPONP-UHFFFAOYSA-N 468.587 2.297 30 10 JEEE C=CC1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCNS(C)(=O)=O)CC1 1359174937 URMUOJWBNXZEQS-UHFFFAOYSA-N 457.398 2.377 30 10 JEEE C=CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2CCOC[C@@H]2C1 1359343552 VPKWGJHYSIKUOQ-RBUKOAKNSA-N 494.662 2.027 30 10 JEEE CCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1 1448834940 CYFNJBUFDAOCSR-NRFANRHFSA-N 454.552 2.120 30 10 JEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCN(Cc2ccc(OC)cc2OC)C1=O 1449159812 FUGXTBQSCDTVOE-RTBURBONSA-N 459.543 2.228 30 10 JEEE C#Cc1cccc(NC(=O)NC(=O)Cn2ncc(Br)c(Br)c2=O)c1 1458901222 ZZPSCYXZECCPCL-UHFFFAOYSA-N 454.078 2.098 30 10 JEEE C#CCN(c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCC)[C@H]1CCS(=O)(=O)C1 1507632768 AMPMMULGRMLPJA-ZWKOTPCHSA-N 481.619 2.013 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1CC1(O)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1507632902 BLOKWYWLPGEWGP-LJQANCHMSA-N 460.575 2.330 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1csc(CC)n1 1507644469 IQRXJZOXKUPCKR-UHFFFAOYSA-N 468.608 2.335 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1ccc(C(N)=O)nc1 1507699701 ITGXBGRGKDGYKB-SFHVURJKSA-N 453.547 2.352 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O)C(C)C 1508014606 VUTKGMCNZGEFDG-HXUWFJFHSA-N 480.617 2.492 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1508079313 QKEGDPCOTPDPRX-WIYYLYMNSA-N 471.558 2.039 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCC(C(=O)NCc2ccc(F)cc2)CC1 1508140704 PRHCDFFSYSLZCX-UHFFFAOYSA-N 475.590 2.428 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1508143808 KMDOQTCVGYXNQA-SFHVURJKSA-N 475.590 2.104 30 10 JEEE CC(C)COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCO[C@@H]2C)CC1 1509446808 HJOPRNDVUWHOMK-HOYKHHGWSA-N 468.558 2.271 30 10 JEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1C[C@H](OCC)C1(C)C 1539072937 ZFWJEBMZGRGBHC-OTWHNJEPSA-N 467.636 2.054 30 10 JEEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1539119103 HKRFMDBXVSXJBV-GOSISDBHSA-N 461.563 2.236 30 10 JEEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1(NC(=O)OC(C)(C)C)COC1 1539200237 CZCAWGNJMHZHHI-CALCHBBNSA-N 490.605 2.412 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1CCCOC)[C@H]1CCS(=O)(=O)C1 1539206805 WDFNCBSDGPTYBX-IRXDYDNUSA-N 450.536 2.220 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CCCN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1539231751 XQECYWVEEOPFNK-OAQYLSRUSA-N 489.617 2.499 30 10 JEEE C#CCN(CC)c1nnc(-c2ccc(F)cc2Br)n1CCOCCS(C)(=O)=O 1539352010 MPDDZNMQAOSOCK-UHFFFAOYSA-N 473.368 2.367 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCOC[C@@H]2CCCO2)CC1 1539438103 NUZZDIFOBZMOKL-NRFANRHFSA-N 454.531 2.194 30 10 JEEE C#CCN1CCN(c2nnc(CSc3ccc(C)cc3)n2CCCN2CCC(O)CC2)CC1 1539463040 RTJXHIZKWYYKMI-UHFFFAOYSA-N 468.671 2.481 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCCCN2CCCC[C@H]2C)CC1 1539466859 IFKUXSIKOKIQHS-HXUWFJFHSA-N 471.650 2.037 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC2(O)CC(OCC)C2)CC1 1539468449 FXPBUYWKSLVZGP-MNPCCFAVSA-N 499.587 2.453 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC(F)F)cc1 1539557569 XFDCKWDICPDIGE-XMSQKQJNSA-N 495.552 2.253 30 10 JEEE C=C(Br)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1539585829 BLSBWFBZJXMTLK-MRXNPFEDSA-N 486.378 2.134 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)c2ccccc2)CC1 1539612836 QYWIFFQKNLNKKW-NHCUHLMSSA-N 466.586 2.360 30 10 JEEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2ccccc2OCC)CC1 1539802929 CBWUHCABXYTKKM-KRWDZBQOSA-N 494.017 2.294 30 10 JEEE C=CCCOCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1540039657 DRGOFOGZKGLVPI-SFHVURJKSA-N 472.615 2.413 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCCN(C(=O)c2cccc(C)c2)CC1 1540877069 JTVXRJOETAYFIM-HXUWFJFHSA-N 452.559 2.093 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1cccc(F)c1 1540897582 NDZDKVSRKMKTTE-UHFFFAOYSA-N 458.519 2.302 30 10 JEEE CCC1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@](C)(C#N)C2)CCC1 1546143982 AEUPVUIVPGMJCU-YLJYHZDGSA-N 450.609 2.321 30 10 JEEE Cn1nccc1C(=O)N1CCC2(CC1)CN(c1ccc(C#N)c(C(F)(F)F)c1)C[C@@H]2C(N)=O 1548377326 IDZOYDQEKFILSE-QGZVFWFLSA-N 460.460 2.155 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@H]1CCCS(=O)(=O)C1 1587620796 KNIYKYGUUXCEQO-MSOLQXFVSA-N 482.610 2.348 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1588074088 ILBCHXFKUGQLSR-RCCFBDPRSA-N 481.619 2.012 30 10 JEEE C=C(Cl)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C[C@@H](O)COc2ccccc2)CC1 1593907810 AYZPVBUQDGZILQ-OAQYLSRUSA-N 486.020 2.454 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)Oc2ccccc2OC)CC1 1594097187 NEASDIFVIDXMJC-NQIIRXRSSA-N 491.614 2.244 30 10 JEEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCN1CCCO 1594963494 TXSCNAOXTOLNPP-RTBURBONSA-N 464.611 2.056 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cc2cccnc2)n1CC1(O)CCS(=O)(=O)CC1 1595083328 BEXZJMXASZFQSK-UHFFFAOYSA-N 497.621 2.405 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC(CC(=O)NC2CCCC2)CC1 1595555652 GKEDPOWQBCXSHI-UHFFFAOYSA-N 465.602 2.231 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCC[C@@H](c2ccnn2C)C1 1595593744 IILXCOIXZILFGV-QGZVFWFLSA-N 453.522 2.416 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](CC)C1 1595805328 NGMJWZZLWKWSBV-ZWKOTPCHSA-N 483.635 2.424 30 10 JEEE C#Cc1cccc(CNC(=O)c2cc(S(=O)(=O)N(CC)CC)ccc2N2CCOCC2)c1 1597403759 WQZHUAPSSPTYLZ-UHFFFAOYSA-N 455.580 2.465 30 10 JEEE CCCN(Cc1nc(O)c2sccc2n1)C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 1617938025 AXVVGJOUUWOGCR-ZDUSSCGKSA-N 459.553 2.374 30 10 JEEE COC(=O)Cc1cccc(S(=O)(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)c1 1653976687 GRDUVXHZIBXHCP-UHFFFAOYSA-N 450.520 2.333 30 10 JEEE C#CCN([C@@H]1CCOc2ccc(Br)cc21)S(=O)(=O)c1n[nH]cc1C(=O)OC 1660261115 PZWBCPLUZWQBIU-CQSZACIVSA-N 454.302 2.107 30 10 JEEE C=CCS(=O)(=O)CCNC(=O)N[C@H](CO)c1ccc(Br)cc1C(F)(F)F 1680686464 YHPVGPPIVIFCAD-CYBMUJFWSA-N 459.284 2.401 30 10 JEEE N#Cc1ccc(CN2CC[C@H](NC(=O)NCc3nnc4ccc(C(F)(F)F)cn34)C2=O)cc1 1682612155 FQDBGBRTNGDGQZ-INIZCTEOSA-N 457.416 2.220 30 10 JEEE C#CC[C@@H](CCOC)NC(=O)N1CCN(CC(=O)Nc2ccc(Br)cc2)CC1 1683130114 HFWRGZDQPYXINN-KRWDZBQOSA-N 451.365 2.143 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCN1CCC)[C@@H]1CCS(=O)(=O)C1 1689982417 MWAMGOWPOIGGOF-FCHUYYIVSA-N 466.611 2.318 30 10 JEEE C#CCN(CC)c1nnc(-c2cnccn2)n1C[C@@H]1C[C@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1690072750 RUSYJVLDNURAFU-JENIJYKNSA-N 453.547 2.219 30 10 JEEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C2CC2)C1 1690328577 MTOXEHDJQHUQQZ-CWRNSKLLSA-N 489.042 2.380 30 10 JEEE C=CCOc1ccc(Cn2c(CNC(=O)c3cccs3)nnc2N2CCN(C)C(=O)C2)cc1 1690681712 YESMDGFXTWEIDL-UHFFFAOYSA-N 466.567 2.161 30 10 JEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@@H](C)c2nccs2)CC1 1690747081 SDRNCMPUQSAIQN-IRXDYDNUSA-N 482.701 2.439 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H]1CCc2ccccc21 1691003018 AQMWAOGWTCRKOQ-YFVAEKQCSA-N 472.615 2.327 30 10 JEEE C#CCCCCn1c(-c2ccc(Br)cc2)nnc1N(C)CCNS(C)(=O)=O 1705509149 CYECWXLYPXOSQQ-UHFFFAOYSA-N 454.394 2.497 30 10 JEEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1csc(COC)n1 1705557036 OROQLWPVHFZQML-UHFFFAOYSA-N 465.627 2.363 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCc1c(F)cccc1F)[C@@H]1CCS(=O)(=O)C1 1705567799 ZWBRYFCAFRAABJ-DLBZAZTESA-N 464.538 2.320 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CCCN1CCCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1705571065 WKODRMLJNJQKNS-RBBKRZOGSA-N 470.643 2.155 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2Cc2ccc(C(N)=O)nc2)CC1 1705633663 VNGBRYUJTDRVOL-IBGZPJMESA-N 489.580 2.114 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccccc3)n2CCNS(=O)(=O)c2ccc(C)s2)CC1 1705636920 CALIPRFTAALOPQ-UHFFFAOYSA-N 470.624 2.049 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@H](c2ccco2)N(C)C)CC1 1705650169 NIRNXZZUSPBCAC-OAQYLSRUSA-N 461.570 2.126 30 10 JEEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@]1(O)CCC[C@H]1C 1705883460 JADGWCDQOFSQOZ-MZNJEOGPSA-N 452.559 2.382 30 10 JEEE C=CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1705890157 AFNSHHFFSQVBIH-MRXNPFEDSA-N 473.578 2.099 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2(NC(=O)OC(C)(C)C)COC2)C1 1705915851 XUOXDPVOEUFLKO-QGZVFWFLSA-N 499.572 2.000 30 10 JEEE CCNC(=O)C(C)(C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCO[C@H](C#N)C1 1710311445 CVBGEXUPTQAPNE-QZTJIDSGSA-N 489.621 2.284 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCCCN(C)C)cc1 1722293906 FABSZMRMYSGLLX-AZUAARDMSA-N 459.616 2.017 30 10 JEEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cccc(CN2CCOCC2)c1 1722345425 ZEFATLCOOSEVEZ-RUZDIDTESA-N 453.587 2.269 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1Cc1cnn(CCOC)c1)[C@H]1CCS(=O)(=O)C1 1722359553 OPVXQRFDEVWSGX-QFIPXVFZSA-N 482.610 2.025 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCOCC(=C)C)[C@@H]1CCS(=O)(=O)C1 1722360157 ZKRRDIRXQCWHOB-OAQYLSRUSA-N 485.610 2.367 30 10 JEEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1722454354 CESVCQUNJHAXAA-UHFFFAOYSA-N 450.568 2.318 30 10 JEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 1722700776 UBULQWMWIMYHOC-UHFFFAOYSA-N 485.639 2.268 30 10 JEEE CC(C)[C@@H]1OCCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(C#N)C1 1723940827 DGBZHHMJPGYNTN-RYLXDESZSA-N 452.625 2.470 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCCN1CCC[C@H]1CO 1740539944 SCOJJYPJBLYDDR-ICSRJNTNSA-N 459.616 2.043 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCC=CO1 1740685932 NJSPAAXLPHSQBU-MOPGFXCFSA-N 461.563 2.365 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCc2ccc(C)cc2)CC1 1740703042 DQABABMQCMXKTI-SANMLTNESA-N 465.598 2.447 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2C[C@H](C(C)C)N2CCOCC2)CC1 1740706763 BQZKIJMPEVOOAI-RUZDIDTESA-N 492.668 2.500 30 10 JEEE C#CCSCCn1c(COc2ccccc2OC)nnc1N1CCC2(CC1)CNC(=O)C2 1740724328 ZRZXOVKIKZDAOZ-UHFFFAOYSA-N 455.584 2.339 30 10 JEEE C=C(C)COCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CC(=O)N(C)C[C@H]1C 1740793820 YFEPQTWMCSAQQU-GOSISDBHSA-N 479.585 2.496 30 10 JEEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 1740863701 DJVRSPVOAMGIPU-FUHWJXTLSA-N 481.644 2.381 30 10 JEEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(c2cnn(C)c2)CC1 1740870960 ZMYSZXSRFUSYBL-UHFFFAOYSA-N 455.588 2.375 30 10 JEEE C=CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(S(=O)(=O)N(CCC)CCC)CC1 1740947341 XTDMPACCCUOYFO-OAQYLSRUSA-N 490.630 2.465 30 10 JEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2ccccc2F)C[C@H]1C 1740963660 SSQIYRBQCHXZJK-LJQANCHMSA-N 466.565 2.296 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(NC(=O)C(C)C)CC1 1740965700 KZYJEVBEQDHEAA-UYAOXDASSA-N 460.623 2.240 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2ncc(CC)s2)C1 1740980197 IZJOMNDZWMENJF-CVEARBPZSA-N 451.618 2.223 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(c2ccccc2OC)CC1 1740990380 SNQZUNQEMQKUSX-UHFFFAOYSA-N 468.583 2.276 30 10 JEEE C[C@H](CC#N)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1CCN(CCN(C)C)CC1 1741798282 GUTWZJUYIWJYKY-LJQANCHMSA-N 487.674 2.361 30 10 JEEE Cc1ccc(S(=O)(=O)NCCn2c(-c3cccc(C#N)c3)nnc2N2CCOC[C@@H]2C)s1 1742290769 FPFWRMYWJBKNLT-HNNXBMFYSA-N 472.596 2.390 30 10 JEEE CN(C)CCN1CCC(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](CC(N)=O)C2)CC1 1747591103 CDFCKLIYGJUKKZ-QFIPXVFZSA-N 478.645 2.182 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(=O)N(C)C1CCCCC1 1748663989 BVMKPCCRKSORRY-KRWDZBQOSA-N 471.631 2.487 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@H](C)N1CCN(CC)CC1 1748680369 REFMGBSXXPWZLM-JWQCQUIFSA-N 492.716 2.127 30 10 JEEE C#CCCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN2CCOC[C@@H]2C1 1748703309 NJVSBHJXOIQZJC-IBGZPJMESA-N 455.559 2.295 30 10 JEEE C#CCCCn1c(Cc2ccccc2OC)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1748756678 REZHVYRRSPDVPB-UHFFFAOYSA-N 464.614 2.425 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CC[C@@](C)(O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1748818723 DZQTUGQFJGJJMV-WIOPSUGQSA-N 479.606 2.188 30 10 JEEE C=C1CCN(c2nnc(COc3ccc(Br)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1749312653 RCZSWKWYJIDXSA-HXUWFJFHSA-N 497.415 2.326 30 10 JEEE C=CCN(CCc1ccco1)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(=O)N(C)C 1749590747 FFBUDWTYFCMWDX-UHFFFAOYSA-N 461.526 2.108 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N(C)CC(=O)N(C)[C@H](C)c1ccccc1 1749669969 MQGJQCJKNKVERR-QUCCMNQESA-N 454.575 2.478 30 10 JEEE CC(C)(C)OC(=O)NCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1750506988 HEQRYTLJCHUGPD-GOSISDBHSA-N 498.563 2.091 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1CC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1760183222 NTODJMBTLXXODS-MRXNPFEDSA-N 464.975 2.149 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@H]1OCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1760185337 VMUSXFITRGOBKV-WOJBJXKFSA-N 453.568 2.259 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCc1nc(C)no1 1760208582 WICYXBFBKHCIGK-HDICACEKSA-N 453.547 2.446 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnccn2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1760240829 DLLGWBOERZKPIW-HSZRJFAPSA-N 490.587 2.457 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H](C)CN1CCOCC1 1760243622 BWJJRQASASDDHH-MRXNPFEDSA-N 465.396 2.090 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1csc(C(C)C)n1 1760249440 LNFMKFWCKPMRLY-MRXNPFEDSA-N 451.618 2.089 30 10 JEEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1760250889 NWDCHKYVRRPNQC-LJQANCHMSA-N 459.595 2.481 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](C)N2CCC(C)CC2)CC1 1760269563 LNZIXLPGZCONBD-RBBKRZOGSA-N 456.635 2.258 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CC(=O)N(C)C2CCCCC2)CC1 1760271688 GZEIPKXLSDONAN-UHFFFAOYSA-N 477.613 2.021 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(Cn2cc(C)cn2)CC1 1760316171 NJIYSMLTTIHHAH-NRSPTQNISA-N 491.662 2.291 30 10 JEEE C=CCN(CC=C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCN1CCC(O)CC1 1760494680 TTWUXGIPOGHWRP-UHFFFAOYSA-N 463.586 2.217 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCCN(C(=O)c2ccccc2F)CC1 1760524181 QRLOPYOLTBSGGQ-FQEVSTJZSA-N 470.549 2.314 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCNC(=O)[C@@H]1CC 1760532109 LCSQBQABCRKGCD-SFHVURJKSA-N 461.526 2.253 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccccc2N2CCOCC2)C1 1760534409 XWQCZMAYGSBLCH-HXUWFJFHSA-N 454.575 2.083 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(C)=C(C)C1 1760550998 PYVKZMBOLMRQDN-UHFFFAOYSA-N 493.655 2.343 30 10 JEEE CC[C@H](C)NC(=O)CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCO[C@@H](C#N)C1 1762031501 DZJOUTOYXNZLPA-RDJZCZTQSA-N 472.546 2.004 30 10 JEEE CCCNC(=O)CCn1c(-c2ccccc2OC)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1764544518 HANCCTQDKJSGNT-UHFFFAOYSA-N 474.569 2.463 30 10 JEEE COc1ccc(CCc2nnc(N3CCO[C@@H](C#N)C3)n2CCCN2CCCCC2=O)cc1 1770136914 CPHFZAFYOJIFNJ-NRFANRHFSA-N 452.559 2.203 30 10 JEEE COCCN(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1771076599 GJEWJGDGJOFRRX-FGZHOGPDSA-N 454.575 2.169 30 10 JEEE C=CCNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1cccn(Cc2ccc(Cl)c(Cl)c2)c1=O 1861313950 IUUWASUOYKKRSJ-KDOFPFPSSA-N 450.322 2.081 30 10 JEEE CCC[C@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)N1CCN(c2ccccc2OC)CC1 1869929272 DVQOQBNGRDUCPF-SFHVURJKSA-N 456.568 2.251 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cn1CCCO 1870696223 BPKLDQXKHKVMHB-UHFFFAOYSA-N 486.525 2.339 30 10 JEEE COc1ccc(/C=N/n2c(CNC(C)=O)nnc2SCC(=O)NC2CCCCC2)c(OC)c1 1874434165 QTGXSVMVMNDLSJ-WYMPLXKRSA-N 474.587 2.355 30 10 JEEE Cc1ccc(N2CCN(C(=O)[C@@H]3SCC(=O)N(C(C)C)[C@@H]3c3ccc(C#N)cc3)CC2)nn1 1889534524 XIBAPELOAZREJE-DHIUTWEWSA-N 464.595 2.399 30 10 JEEE CCN1CCN(CC#CCOC2CCN(S(=O)(=O)c3cccc4cccnc34)CC2)CC1 1889775582 VPDOUNRRCAHFKF-UHFFFAOYSA-N 456.612 2.045 30 10 JEEE COc1ccccc1Oc1ccc(S(=O)(=O)N[C@H](C)C(=O)NCC#CCN2CCCC2)cc1 1891805976 UMLYGJMCRBETJW-LJQANCHMSA-N 471.579 2.370 30 10 JEEE C#CCN(CC(=O)NCC1(O)C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C)C(=O)OC(C)(C)C 2068520674 ZBTQJWXUSOQIHO-NWMVZANLSA-N 451.564 2.266 30 10 JEEE C=C(Br)CS(=O)(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1C(=O)OCC 2174717211 WGVUAKOMJKQAMB-UONOGXRCSA-N 469.398 2.393 30 10 JEEE Cn1nc(C(=O)NCCCCNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2255816478 GBFYERCJJAMINM-UHFFFAOYSA-N 456.780 2.407 30 10 JEEE Cc1csc(C(=O)NCC2(NC(=O)OC(C)(C)C)COC2)c1B1OC(C)(C)C(C)(C)O1 2255837794 VQKSNMOKWGHVQS-UHFFFAOYSA-N 452.382 2.379 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@H]2NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2255942914 PGCXBUQQWFOVCD-WWGRRREGSA-N 470.422 2.333 30 10 JEEE C[C@H](NC(=O)[C@H](O)[C@H](C)NC(=O)OC(C)(C)C)c1cscc1B1OC(C)(C)C(C)(C)O1 2256613344 ISICLTKLRUMNEN-HEHGZKQESA-N 454.398 2.499 30 10 JEEE C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccc(B2OC(C)(C)C(C)(C)O2)s1 2256622161 CWJDFRLOQVHBMV-CZUORRHYSA-N 454.398 2.280 30 10 JEEE CN(C)[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1Oc1nccc(B2OC(C)(C)C(C)(C)O2)c1F 2265996940 CGRZZWOIYJKORJ-JKSUJKDBSA-N 451.348 2.448 30 10 JEEE CC1(C)OB(c2ccnc(NCCn3cc(I)cn3)c2F)OC1(C)C 2266056115 CQOYBYJJSJVXQL-UHFFFAOYSA-N 458.084 2.433 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2cc(Cl)ccc2B2OC(C)(C)C(C)(C)O2)[C@H](O)C1 2267010167 RKGKTHIACQYONJ-DLBZAZTESA-N 466.771 2.349 30 10 JEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2267149322 LBFISAMCGNBHEL-LSDHHAIUSA-N 467.397 2.197 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CC[C@H]1NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2267363607 LKRJNCDHMLGUCJ-DLBZAZTESA-N 470.372 2.459 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1CCN1S(=O)(=O)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2267474655 YMTHKAVWLHPHKZ-SFHVURJKSA-N 466.409 2.415 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1CCN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2267703291 UIKVTZCQQNPTFC-OAHLLOKOSA-N 470.372 2.413 30 10 JEEE CO[C@@H]1[C@H](OC)CN(C(=O)OC(C)(C)C)[C@@H]1COc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2280558403 WTVXQGXCMLLJOZ-LMMKCTJWSA-N 464.368 2.409 30 10 JEEE CC(C)(C)OC(=O)NCc1cn(C2CN(c3cc(B4OC(C)(C)C(C)(C)O4)ccn3)C2)nn1 2280757846 YAGKGEPWILQFBW-UHFFFAOYSA-N 456.356 2.058 30 10 JEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2C[C@@H]3C[C@H](OCc4ccccc4)C[C@@H]32)n1 2281959759 QGJRJXUWTHNLFT-CADBVGFASA-N 452.364 2.228 30 10 JEEE CN(C[C@H](O)CN(C)C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Cl)C(=O)OC(C)(C)C 2282016498 YNVXZNRCQIUPMD-OAHLLOKOSA-N 483.802 2.334 30 10 JEEE Cc1nc(C(=O)NCCN2CCN(Cc3ccccc3)CC2)c(B2OC(C)(C)C(C)(C)O2)s1 2282022893 XHOSPGYJJFGRBS-UHFFFAOYSA-N 470.448 2.298 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C2(CC2)C1 2282025625 QXBYTHNKEOSXIG-MRXNPFEDSA-N 458.368 2.295 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2282054309 PCBZVMYALMBUCT-RDJZCZTQSA-N 460.384 2.284 30 10 JEEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@]1(C)CCCCN1C(=O)OC(C)(C)C 2282173905 CEHJDVYYXAGUJG-QFIPXVFZSA-N 463.388 2.024 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2CN(C(=O)c3ncncc3B3OC(C)(C)C(C)(C)O3)C[C@H]21 2282187374 IGZHRFAWBCLENL-ZMSDIMECSA-N 458.368 2.151 30 10 JEEE Cn1ncc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C2CC2)c1B1OC(C)(C)C(C)(C)O1 2282538620 IMYNKLVTWUDTDZ-SJORKVTESA-N 460.384 2.237 30 10 JEEE CN(C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1)[C@@H](CNC(=O)OC(C)(C)C)C(F)(F)F 2282551895 MUDGNEMJNHHYMD-ZDUSSCGKSA-N 476.305 2.247 30 10 JEEE Cc1ccc(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 2282553551 YKLVLXAAAAUEJV-JSGCOSHPSA-N 455.286 2.218 30 10 JEEE CCc1nn(C)c(C(=O)N2C[C@H]3C[C@H]2[C@@H]3NC(=O)OCc2ccccc2)c1B1OC(C)(C)C(C)(C)O1 2282559575 KAWRRLVLJRVKIT-SLYNCCJLSA-N 494.401 2.421 30 10 JEEE CC(C)(C)OC(=O)N1CCC([C@H](F)CNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CC1 2282580276 RBCGENQIZPLNPA-MRXNPFEDSA-N 466.363 2.424 30 10 JEEE CC(C)(C)OC(=O)NC1CC(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(O)cc2O)C1 2282975759 OUXYCMKEXVBOKS-UHFFFAOYSA-N 462.352 2.430 30 10 JEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1O 2282978218 KMDGCTGSXWUJPW-FUHWJXTLSA-N 462.352 2.056 30 10 JEEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@@H]1C[C@]1(C(=O)N=c1nc(B3OC(C)(C)C(C)(C)O3)[nH]s1)C2 2283944286 LFQQKJNUXRLGRR-QBSOIHFESA-N 476.408 2.376 30 10 JEEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)C(=O)[C@@H]1C[C@H](O)CN1C(=O)OC(C)(C)C 2283975320 XZYCITBAYCVANZ-OALUTQOASA-N 460.380 2.315 30 10 JEEE C[C@@H](NC(=O)[C@H]1C[C@@](O)(CNC(=O)OC(C)(C)C)C1)c1nscc1B1OC(C)(C)C(C)(C)O1 2283981587 NYBUQFLMMROUJI-XDEPDNQISA-N 481.424 2.285 30 10 JEEE C[C@@H](C(=O)NCc1ccccc1B1OC(C)(C)C(C)(C)O1)N1CC(NC(=O)OC(C)(C)C)C1 2284044556 BFKUYBGHHHLZBM-INIZCTEOSA-N 459.396 2.199 30 10 JEEE CC(C)(C)OC(=O)N1CC(N2CC(C(=O)Nc3ccccc3B3OC(C)(C)C(C)(C)O3)C2)C1 2284242276 WAWJEQGTTZHUES-UHFFFAOYSA-N 457.380 2.475 30 10 JEEE C=CCOc1ccccc1OCc1nnc(SCC(N)=O)n1N=Cc1ccc(O)cc1O 2326450712 HJEVKRUTUXKYLK-UHFFFAOYSA-N 455.496 2.293 30 10 JEEE COC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)(C)C)C2)n1N=Cc1cc(OC)c(O)c(OC)c1 2327874573 WWPFONSTZNLMNW-AWEZNQCLSA-N 491.570 2.263 30 10 JEEE COc1cccc(C=Nn2c(CNC(C)=O)nnc2SCC(=O)Nc2nccs2)c1OC 2330747996 HEKFBNHSJBLJSX-UHFFFAOYSA-N 475.556 2.001 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H](NC(=O)OC(C)(C)C)CC(F)(F)C1 2362327198 UPYCHUYLNYPOQJ-CYBMUJFWSA-N 470.326 2.094 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H]3CCC[C@H]32)n1 2367685116 OPGULJOWMDWSPO-IAGOWNOFSA-N 460.384 2.333 30 10 JEEE Cc1cc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)OC(C)(C)C)cc(B2OC(C)(C)C(C)(C)O2)c1 2369678698 JAEWYMFGYWZWCC-MOPGFXCFSA-N 460.380 2.281 30 10 JEEE C=CCn1c(=O)c2ccc(C(=O)N[C@H](C)CC)cc2n2c(=O)n(CC(=O)N(C)c3ccccc3)nc12 64581542 FUUYFQORGNCOHQ-QGZVFWFLSA-N 488.548 2.188 30 10 JEEE CC(=O)O[C@H](C)[C@](C)(O)C(=O)O[C@@H]1CC[C@]2(C)CC(=O)C(C(C)(C)O)=C[C@@H]2[C@@]1(C)OC(C)=O 72320206 SJHSSSTUOYMEHM-ZLFZTRQYSA-N 468.543 2.009 30 10 JEEE COc1ccc([C@H]2/C(=C(/O)c3ccc(OC)c(OC)c3)C(=O)C(=O)N2CCN2CCOCC2)cc1 102527162 FBXIDMWZAUCTNR-FEYWKWKCSA-N 482.533 2.466 30 10 JEEE CCOc1ccc(NC(=O)CSc2nnc(NN=Cc3cc([N+](=O)[O-])ccc3O)n2N)cc1 1084551656 ACWOLNPDBMAFGH-UHFFFAOYSA-N 472.487 2.181 30 10 JEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)/C=C\c3c(Cl)nc4ccccn34)CC2)cc1 1087385856 QFORSHWPXOKSON-HJWRWDBZSA-N 455.927 2.406 30 10 JEEE N#Cc1ccnc(N2CCN(C(=O)c3ccc(S(=O)(=O)Nc4nccs4)cc3)CC2)c1 1136040870 GHCOFPXGPJRUGR-UHFFFAOYSA-N 454.537 2.173 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cc(-c3ccoc3C)nn2CCO)s1 1136602664 STXWLFZCABIQTH-UHFFFAOYSA-N 450.542 2.151 30 10 JEEE C#CCN(CC#CC)c1nnc(COc2ccccc2OC)n1CC1CCS(=O)(=O)CC1 1286434206 HYSDYSHWJIRSSN-UHFFFAOYSA-N 456.568 2.153 30 10 JEEE C#CCN(CC)c1nnc(-c2cc(Br)c[nH]2)n1Cc1cccc(S(=O)(=O)NC)c1 1286436676 RMAJBALAGAORRU-UHFFFAOYSA-N 477.388 2.452 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCN(c2ccccc2F)C1 1286461880 ZDUAQOLVGTXASH-IBGZPJMESA-N 454.550 2.266 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2CC(F)(F)CO2)CC1 1286473309 KHIXHHDEJRQOII-AWEZNQCLSA-N 455.307 2.215 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC2(CCN(C)C2=O)CC1 1286587152 ACOVJQOYGKSREQ-UHFFFAOYSA-N 472.615 2.220 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1286780506 WURMZIANDSBBTF-FQEVSTJZSA-N 477.338 2.008 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1286799313 TVSMEUSWPZSHGM-ZHALLVOQSA-N 496.655 2.051 30 10 JEEE CC(C)NC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1288208406 CGJDICRXSVOVAB-VWLOTQADSA-N 492.584 2.129 30 10 JEEE Cc1cccn2cc(CCNC(=O)[C@H](CC(C)C)/N=C3/NS(=O)(=O)c4ccccc43)nc12 1294272983 DIBBGSRINHNKHY-IBGZPJMESA-N 453.568 2.455 30 10 JEEE CN(CCn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)C1CCCC1 1298716439 BWRDXDRCQZXFNM-HXUWFJFHSA-N 472.615 2.226 30 10 JEEE CN1CC[C@](O)(Cn2c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CCC(C#N)CC2)C1 1298881572 HPRWLYWQLIHNPF-YADARESESA-N 473.622 2.199 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CCCN2CCCCC2)c1 1300331845 SAUDSMSLAHDIRE-UHFFFAOYSA-N 465.602 2.349 30 10 JEEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H](C(C)C)N1CCOCC1 1300432371 HUKPVMXKYPBYOD-FQEVSTJZSA-N 458.994 2.288 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CC1(SC)CCC1)[C@H]1CCS(=O)(=O)C1 1300479819 SPPRZLUQIKLZAH-KRWDZBQOSA-N 467.661 2.109 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCC1(OC)CCC1)[C@@H]1CCS(=O)(=O)C1 1300501294 IXDKWWQUECBYPZ-GOSISDBHSA-N 463.629 2.220 30 10 JEEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@@H](C)Sc1ccccc1)[C@H]1CCS(=O)(=O)C1 1300502770 XCKGOEKSRRVNLZ-MOPGFXCFSA-N 487.651 2.208 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C 1300578805 PKQPRHKAMDKIDY-ZCNNSNEGSA-N 489.642 2.289 30 10 JEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](OCc2cccc(OC)c2)C1 1300755974 BNYIWPFISSGXLJ-PMACEKPBSA-N 455.584 2.400 30 10 JEEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1300763001 SXFYRVGEQXIROK-MRXNPFEDSA-N 459.538 2.433 30 10 JEEE C=C(C)COCCn1c(N2CC[C@@H](S(C)(=O)=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1301001928 PYYACZFTXPFZTQ-FGTMMUONSA-N 483.635 2.265 30 10 JEEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1)C1CC1 1301326761 HXPCRKQWMZIYBA-OKZBNKHCSA-N 451.637 2.223 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCN(c2ccc(OC)cc2)CC1 1301521021 XYGJGENKZRQEAC-CVDCTZTESA-N 484.601 2.030 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCOCC1 1301575102 BNQHCSIMCWFCFC-UHFFFAOYSA-N 455.378 2.453 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCCN(C(=O)c2ccsc2)CC1 1301579561 VZBLIAFRWKZLOD-UHFFFAOYSA-N 488.639 2.298 30 10 JEEE C=CCS(=O)(=O)CCn1c(Nc2cnn([C@@H]3CC3(F)F)c2)nnc1C(=O)Nc1ccccn1 1301596446 PEYLRTABPXPPPH-CQSZACIVSA-N 478.485 2.046 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCCC(F)(F)F 1303404961 GCOXXTUUJNLMQK-AWEZNQCLSA-N 465.484 2.136 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2C[C@@H]2OCCC2(C)C)c1 1358902876 CKYSHQUGIWIXQT-FQEVSTJZSA-N 464.570 2.272 30 10 JEEE C#CCCCn1c(Cc2cccnc2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 1358932003 VGCXPZDZSHZRKW-JTHBVZDNSA-N 463.630 2.494 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H](C)N(C)C1CC1)[C@H]1CCS(=O)(=O)C1 1358954895 AFTDAQFGEGETMG-KNQAVFIVSA-N 498.653 2.257 30 10 JEEE C#CCSCCn1c(C(C)C)nnc1N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 1359048800 BOHXMMZNDDRGEA-UHFFFAOYSA-N 457.629 2.160 30 10 JEEE C=CC1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCN(C)S(=O)(=O)CC)CC1 1359175509 ORRLXWXJXPEYQO-UHFFFAOYSA-N 495.671 2.423 30 10 JEEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1359227093 SNQKWNXXVIPODH-FGZHOGPDSA-N 474.650 2.288 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2Cc2cnnn2C)C1 1359319577 BMKFQLHIPTUFIL-PKOBYXMFSA-N 472.594 2.351 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCN(CC(C)C)C2)C1 1359322457 WBFXOHTZJJMUBO-PCCBWWKXSA-N 465.664 2.330 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc3ccccc3o2)nnc1N1CCCN(CC)C(=O)C1 1359329101 YULWNSBRVGEYSJ-UHFFFAOYSA-N 457.556 2.351 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1359334288 ZMHNDQIUHRHPFQ-MRXNPFEDSA-N 481.644 2.009 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1ccc(OC)cc1F)[C@@H]1CCS(=O)(=O)C1 1507630225 UYLSLCZAVVWMAL-QGZVFWFLSA-N 455.515 2.163 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1ccc(OC)c(OC)c1OC)[C@H]1CCS(=O)(=O)C1 1507632114 XAWABEHMSPAGPQ-IBGZPJMESA-N 497.577 2.041 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCn1cc([C@H]2CCOC2)cn1 1507691486 IJLPRSVZPBRSTR-FPOVZHCZSA-N 499.616 2.447 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(C)C)n1CC1(CS(C)(=O)=O)CC1 1507700725 UVJKRIGGHLWJKI-UHFFFAOYSA-N 461.563 2.020 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCCOC3)n2Cc2ccc(O)cc2)n1 1507716922 OPKNHNURTIANNH-HXUWFJFHSA-N 450.543 2.409 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2C[C@](O)(c2ccccc2)C(F)(F)F)CC1 1507731446 IXFVMHRLZYWFJH-AVRDEDQJSA-N 463.504 2.377 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(OCC)cc2)CC1 1507902938 QEERHZVFQQARRI-OAQYLSRUSA-N 475.615 2.460 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccccn2)nnc1N1CCN2C(=O)NC[C@H]2C1)C(C)C 1508011628 UPHTZRTXVMNIQR-FPOVZHCZSA-N 450.591 2.253 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 1508144309 PJDSYSWEPWRJGI-GOSISDBHSA-N 490.630 2.310 30 10 JEEE C#Cc1cncc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCCC2)c1 1523612658 RAHMOECGHMECMO-UHFFFAOYSA-N 454.552 2.326 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(=O)N1CCCCC1 1539017011 XDYGIMZQVWUTCP-RTBURBONSA-N 474.606 2.447 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccc1Br 1539125004 JQVDTAJZKAKSSA-SFHVURJKSA-N 496.431 2.423 30 10 JEEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1CCN(C(=O)OC)CC1 1539145807 RRCWQCMCAPHNSZ-UHFFFAOYSA-N 458.950 2.409 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccc(OCCC)cc1)[C@H]1CCS(=O)(=O)C1 1539222417 VYMMZTCSTTWOHD-UXHICEINSA-N 458.584 2.246 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1conc1COC)[C@@H]1CCS(=O)(=O)C1 1539231047 NYJCDKRNSFTJPC-QWFCFKBJSA-N 491.614 2.006 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@@](C)(O)CCC)[C@H]1CCS(=O)(=O)C1 1539231253 UHKVUYGTLSXJOY-CVDCTZTESA-N 460.600 2.343 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCOc1ncccc1F 1539260662 TVTNOWCCBWXIMZ-UHFFFAOYSA-N 471.496 2.361 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(N2CCOCC2)CCSC1 1539305638 JQBLXYDQWCTZFQ-VWLOTQADSA-N 460.607 2.488 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCCCO3)n2C[C@@H]2CCCN(C(C)=O)C2)n1 1539424177 NDKMAYAGMPNRLU-GGAORHGYSA-N 483.617 2.261 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H](C)Oc2cccc(OC)c2)CC1 1539480883 FSSOMOOSKCIWMY-AZUAARDMSA-N 467.570 2.224 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@@H](C)CN(C)C(=O)OC(C)(C)C)CC1 1539489741 MVHYVEADXBUWJY-SFHVURJKSA-N 476.622 2.283 30 10 JEEE C#CCSCCn1c(COc2ccc(C)cc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1539527177 WDFDYVLDUNCPKH-UHFFFAOYSA-N 477.656 2.392 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(OC)cc2)n1CCN/C(O)=C1/N=CC=CC1=O 1539569750 SYIRJLYQJQTNRR-KVILIRJJSA-N 476.537 2.384 30 10 JEEE C=C(Br)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC(=O)N(C)[C@H](C)C1 1539600873 WJGPKQSNCOMEFH-CABCVRRESA-N 499.410 2.162 30 10 JEEE C=C(C)COCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCO[C@H](CNC(C)=O)C1 1539730067 WDGFCWCDNJYRGU-HXUWFJFHSA-N 465.558 2.269 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C[C@@H]2CCOC2)C1 1539751040 GKOKVPAVXDOOBW-HSALFYBXSA-N 452.621 2.416 30 10 JEEE C=C1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CCN2CCCS2(=O)=O)CC1 1539836432 SYEDUDKMIKXECS-UHFFFAOYSA-N 477.587 2.163 30 10 JEEE C=CC1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CCNS(=O)(=O)CC)CC1 1539884285 IDCWPSQPIALGPG-UHFFFAOYSA-N 485.614 2.017 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 1540907819 JOCLDQORSXNVQC-RBUKOAKNSA-N 488.614 2.289 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2OC)nnc1N1CCOC2(CCC2)C1 1540908891 QOHDGLMAKSMVEC-UHFFFAOYSA-N 462.572 2.226 30 10 JEEE CNC(=O)[C@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CC12CCN(C(=O)COCCOC)CC2 1548377241 GNXOUSJNGUKAPR-LJQANCHMSA-N 482.503 2.031 30 10 JEEE C#CCN(CC(=O)N1CCN(S(=O)(=O)c2cc(C)sc2C)CC1)C(=O)OC(C)(C)C 1583681287 ODYAJHILFHIAAO-UHFFFAOYSA-N 455.602 2.068 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCCCCC2)nc1 1587640389 QVBIQVSNXOFVFE-AZUAARDMSA-N 456.616 2.462 30 10 JEEE C#CCN(c1nnc(C2CCCC2)n1Cc1cccc(CS(C)(=O)=O)c1)[C@H]1CCS(=O)(=O)C1 1588054603 OHZDXIXMEMPBDP-NRFANRHFSA-N 490.651 2.155 30 10 JEEE C#CCN(c1nnc(CSc2ccc(C)cc2)n1Cc1nncn1CC)[C@H]1CCS(=O)(=O)C1 1588073895 FSRBPUMKJZUMRB-SFHVURJKSA-N 485.639 2.165 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1588074087 ILBCHXFKUGQLSR-OKZBNKHCSA-N 481.619 2.012 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2ccccc2OC)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1588148919 AOSDMFVBINSQTC-NRFANRHFSA-N 470.581 2.451 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)s3)n2CCc2n[nH]c(C)n2)CC1 1588769743 XRISLCGVIPDWLH-UHFFFAOYSA-N 461.393 2.194 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC2(O)CCCC2)CC1 1588884708 KWVAOGNECVYIOZ-UHFFFAOYSA-N 478.597 2.418 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2F)n1C[C@H]1CCCN1S(C)(=O)=O 1589251930 UJHPDGNOVXIBMV-VGOFRKELSA-N 461.563 2.412 30 10 JEEE C=C(Cl)Cn1c([C@H](C)OCCOC)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1593817337 AEWJATJNOSRFSW-JKSUJKDBSA-N 459.975 2.485 30 10 JEEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC=C(c2ccc(O)cc2)CC1 1593884062 BEQIWWXMFUCNPS-LJQANCHMSA-N 479.990 2.363 30 10 JEEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1594813794 YVHMHXCMRJUHOA-HXUWFJFHSA-N 454.575 2.190 30 10 JEEE C=CCN(CC=C)c1nnc(C(=O)Nc2ccccn2)n1CC1(NC(=O)OC(C)(C)C)COC1 1595171583 WTMOVXIZZYKZDY-UHFFFAOYSA-N 469.546 2.398 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCn2cncn2)C1 1595720562 ACHRIHHSHSTHQQ-RBUKOAKNSA-N 472.594 2.466 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@@]2(O)CCN(C)C2)C1 1595720828 BYBHEUCWXLQCHU-NBGIEHNGSA-N 490.649 2.241 30 10 JEEE CC(=O)N(C)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCc2ccco2)CC1 1595934434 ZLNLVCOSIORBEO-UHFFFAOYSA-N 461.526 2.173 30 10 JEEE C=CCNS(=O)(=O)c1cccc(C(=O)NCC(=O)N2CCC(Cc3ccccc3)CC2)c1 1634943064 KYUZFSCSPUCOGS-UHFFFAOYSA-N 455.580 2.362 30 10 JEEE Cc1c(Br)c(C)n(NC(=O)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c(=O)c1C#N 1638640256 AVCPUKHFWRGPQB-JTQLQIEISA-N 452.330 2.377 30 10 JEEE CC(=O)N1CC[C@@H](C)c2ccc(S(=O)(=O)N3CCN(c4nccnc4C#N)C[C@@H]3C)cc21 1662841049 GITSLPVSWHQZAO-CVEARBPZSA-N 454.556 2.108 30 10 JEEE C#CCOc1ccccc1CNC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1 1669098633 KZJCQSYGENCWSC-UHFFFAOYSA-N 455.536 2.117 30 10 JEEE C#CCNS(=O)(=O)N1CCN(C(=O)NCC2(c3ccccc3Cl)CCCCC2)CC1 1679682441 FCUIYRKGASFPOF-UHFFFAOYSA-N 453.008 2.337 30 10 JEEE C#CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(C(=O)OCC)CC1 1689914905 IZFFBLOUGVEPKT-UHFFFAOYSA-N 473.603 2.239 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1ccnc(OC(F)F)c1)[C@@H]1CCS(=O)(=O)C1 1689986839 XUUGSGMNNXUYLH-QGZVFWFLSA-N 474.493 2.012 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1CCc1cc(C(F)(F)F)ccn1)[C@H]1CCS(=O)(=O)C1 1689987723 BGEDHHXEPRUHFM-KRWDZBQOSA-N 491.499 2.018 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nc2c(s1)C[C@@H](C)CC2 1690046323 AVKVWUASTMUXKR-DLBZAZTESA-N 457.625 2.273 30 10 JEEE C#CCN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1CCC[C@@H]1NC(=O)NC1=O 1690065455 XXUOAJUDETYWSM-INIZCTEOSA-N 459.348 2.464 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCCn2nc(C)cc2C)CC1 1690138305 YEUFYHFEGAXIKS-SANMLTNESA-N 497.644 2.188 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(C)CN(C)C1=O 1690206487 SKIFDFAZDIZQBI-PKKBDPGCSA-N 472.590 2.057 30 10 JEEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C1CCN(CCC)CC1 1690219442 DYQVWJHCBIRWLE-AWEZNQCLSA-N 463.446 2.108 30 10 JEEE C=C(C)CN(CC)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCCS(=O)(=O)C1 1690271335 LNCQPQBHOHZAIG-INIZCTEOSA-N 451.618 2.497 30 10 JEEE C=C(Cl)Cn1c(N2CCC[C@H](n3ccc(C(=O)NC)n3)C2)nnc1[C@]1(OC(C)C)CCOC1 1690358484 BPBKENRPCUTJOJ-JTSKRJEESA-N 477.997 2.469 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCN(c2cccnn2)CC1 1690664124 KOEIOKHLIVNWDR-UHFFFAOYSA-N 497.401 2.435 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC(CN2C[C@H](C)O[C@H](C)C2)CC1 1690670660 GTAPERQRKVJHNX-SVFBPWRDSA-N 460.623 2.148 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCO[C@@H](c2nnc(C(C)C)o2)C1 1690677107 NBJWWYJGHYBSGZ-GOSISDBHSA-N 485.520 2.383 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CN(CC(C)C)CCO2)C1 1690684972 SOYDQDKCIWLPGV-PMACEKPBSA-N 469.590 2.064 30 10 JEEE CC(=O)N1CCC[C@@H](Cn2c(-c3cc(Br)cn3C)nnc2N2CCO[C@H](C#N)C2)C1 1690804620 SLKUTAZWPCOMOL-NVXWUHKLSA-N 476.379 2.033 30 10 JEEE CC(=O)NC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCCCCC2)CCO1 1690965369 BEYJOSQBFRUOPR-JOCHJYFZSA-N 482.585 2.155 30 10 JEEE CSC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(c3ccccc3C#N)CC2)CCC1 1698358365 CGXNJZWKIQUHHL-KRWDZBQOSA-N 489.671 2.372 30 10 JEEE C#C[C@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CC[C@@H](C(F)F)N1CCOCC1 1705497962 KYFJHOBFNIIQMJ-HKUYNNGSSA-N 457.529 2.331 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(Br)cc1 1705533783 ZRQMSDCDJJFIAD-SFHVURJKSA-N 496.431 2.423 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1Cc2ccoc2CC(C)(C)C1 1705534664 OADIBHUAUNDHNY-LJQANCHMSA-N 461.588 2.206 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCCOC[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1705563012 OVYMEZAODPVTMI-RTBURBONSA-N 462.572 2.059 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CC[C@H](C)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1705570139 NCKHUPMPEIFDPB-RBBKRZOGSA-N 470.643 2.155 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)CC1 1705641362 CDAVOLDCHCPPJY-FQEVSTJZSA-N 466.586 2.169 30 10 JEEE C=C(Cl)Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1705744605 JIKFXUICLPBGPP-UZLBHIALSA-N 480.057 2.328 30 10 JEEE C=C(Cl)Cn1c(N2CCN3CCOC[C@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705761002 XUCNICGLWAJSTI-IXDOHACOSA-N 452.987 2.322 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CN2CCCC2=O)n1C[C@@]1(O)CCO[C@H]1C 1705861114 UKGFXRBOIYMGGL-UUOWRZLLSA-N 450.543 2.005 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CC2CC2)CC1 1705909137 OMMOZDFGLLSQBT-IBGZPJMESA-N 473.622 2.184 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1705936597 USTAJDPRDFMHKP-GOSISDBHSA-N 461.636 2.363 30 10 JEEE C=CCSCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCN(C)C(=O)C1 1705943442 AWTVHOFYJUDFOG-UHFFFAOYSA-N 467.599 2.263 30 10 JEEE CC[C@H](C)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CCNC(=O)c1cc[nH]n1 1708524096 AWCISGGZOOTUTR-INIZCTEOSA-N 465.537 2.282 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1CCCc1nnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1722370218 APNGKFWERBXUCL-QGZVFWFLSA-N 476.653 2.350 30 10 JEEE CC(C)CC[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1723360488 BPDFSUSUUUDJQZ-NTKDMRAZSA-N 467.574 2.130 30 10 JEEE CCN1CCN(C[C@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](NC(C)=O)C2)CC1 1728628497 CZCOKSQILKUEDJ-RDPSFJRHSA-N 478.645 2.195 30 10 JEEE COCC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@@H](CC(N)=O)C2)CCOCC1 1730518811 CGHWSZCPSHZCGU-FQEVSTJZSA-N 482.585 2.264 30 10 JEEE COCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1730628784 AIANCHZZQKLUMJ-VWLOTQADSA-N 481.601 2.332 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@](C)(O)c1ccco1)[C@@H]1CCS(=O)(=O)C1 1740626060 VKMLEYQKMYKDBH-UTKZUKDTSA-N 460.581 2.058 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1Cc1cccc(N(C)C)c1)[C@H]1CCS(=O)(=O)C1 1740626377 XFAFMANNDIXNDV-NRFANRHFSA-N 484.651 2.375 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H](C)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1740628607 ZCDWKNIPEXQIGM-KURKYZTESA-N 481.619 2.060 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCS(=O)(=O)CC 1740669372 XQLAWNLAAAAATI-UHFFFAOYSA-N 456.572 2.130 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H](C)N1CCC[C@@H](C)C1 1740683683 CMNLQOLKTRCDLS-UXHICEINSA-N 477.613 2.398 30 10 JEEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CCNC(=O)c2cccc(C)c2)CC1 1740698506 WDIMCZPHXSLCDC-UHFFFAOYSA-N 463.611 2.127 30 10 JEEE C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(F)cc1 1740744851 GSEGLIOJVXTHHK-INIZCTEOSA-N 488.383 2.295 30 10 JEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CC(=O)N(c3ccccc3)C2)CC1 1740818710 RJTMRMXRURWHNN-MSOLQXFVSA-N 458.588 2.098 30 10 JEEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCCN(CC)C(=O)C1 1740870101 JMXHNCGMCROGBO-UHFFFAOYSA-N 460.604 2.220 30 10 JEEE C=CCCOCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(CC)[C@H](C)C1 1740884814 NQSOFZMRAWKHHF-GOSISDBHSA-N 461.636 2.361 30 10 JEEE C=CCN(CCOC)c1nnc(-c2ccc3ccccc3n2)n1CCN1CCCS1(=O)=O 1740938399 FIAYROJKFRFXET-UHFFFAOYSA-N 456.572 2.168 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@H](OCC)C1 1740992509 HMGWJPKJWJCTNL-IBGZPJMESA-N 458.588 2.123 30 10 JEEE CCN1C[C@H](C)N(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C[C@H]1C 1746374922 DKJBMUXOHOCWCD-WSTZPKSXSA-N 471.631 2.017 30 10 JEEE CN(C)C(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2CC(C)(C)C2)CC1 1747546339 DPZCNUDVMGPBNN-UHFFFAOYSA-N 465.602 2.375 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OCC)CCOC3)n2C[C@@H]2CCOC2)c1 1748691745 LVFVVRPGQNMSRR-CYFREDJKSA-N 453.543 2.023 30 10 JEEE C#CCCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)c2ccccn2)CC1 1748698397 UROLXSYKGBQUIQ-UHFFFAOYSA-N 451.575 2.357 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1cccc(OCC)c1)[C@@H]1CCS(=O)(=O)C1 1748812545 VXYNOSIPCKMEAK-HXUWFJFHSA-N 451.552 2.414 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1ncnn1-c1ccccc1)[C@H]1CCS(=O)(=O)C1 1748817398 KBXHJVGGTBBTET-IBGZPJMESA-N 467.599 2.122 30 10 JEEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1cccc(C(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 1748821451 QNKZFVKCFTYYPA-SFHVURJKSA-N 495.527 2.094 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1CCCCN1CCC[C@@H]1CO 1749073001 BVNCUEFZJRHHTP-NTKDMRAZSA-N 470.643 2.499 30 10 JEEE C=CCCCCn1c(N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)nnc1[C@]1(OCC)CCOC1 1749408833 OCENMOUJOPQMSM-PKTZIBPZSA-N 460.579 2.101 30 10 JEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2ccc(Cl)s2)C1 1749630143 OTGAWGAWEPWAED-ZIAGYGMSSA-N 474.008 2.090 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1749701698 XOUWNLSTEZXKBN-PKOBYXMFSA-N 491.614 2.025 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Br)c2)nnc1N(C)CC(=O)NC(C)C 1749725952 WKZWEOYCPQVKIS-UHFFFAOYSA-N 484.420 2.269 30 10 JEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CCc1ccn(C)n1)[C@H]1CCS(=O)(=O)C1 1760181066 PCONXQTVDNFJNQ-IBGZPJMESA-N 458.975 2.201 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H]1CCCCN1CCC)[C@@H]1CCS(=O)(=O)C1 1760183679 CRSZBYVSIMFTCY-VQTJNVASSA-N 458.632 2.175 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1cccc(C(F)F)c1)[C@H]1CCS(=O)(=O)C1 1760187302 CODLVNSYUFZTFE-SFHVURJKSA-N 460.510 2.291 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@H]2CCOC[C@@H]2OC)CC1 1760256160 FCFFOQWEGQOHSI-JQVVWYNYSA-N 457.550 2.364 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](OCCCc2ccccc2)C1 1760346318 RWNSAJPFKFWSPJ-YADHBBJMSA-N 489.642 2.415 30 10 JEEE C=CC[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)NCC)CC1)c1ccccc1 1760417487 DHIWDEOBNJQZKZ-NRFANRHFSA-N 462.602 2.297 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1760516210 YDBXDBJZNKACIH-UHFFFAOYSA-N 494.394 2.253 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCc2ccccc2)C1 1760543673 RAWFSRBAHQWMJP-RTWAWAEBSA-N 475.615 2.025 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N1CCOCC2(CC2)C1 1760550599 CJRQLNCIOSOZQX-UHFFFAOYSA-N 484.420 2.264 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N(C)C1CCC(NC(C)=O)CC1 1760555817 OGMDIWXKDDIQLW-CTWPCTMYSA-N 453.609 2.004 30 10 JEEE C=CCNC(=O)[C@@H]1C[C@H](O)CN1C(=O)c1ccc2nc(-c3ccc(OC)c(OC)c3)[nH]c2c1 1861410535 BGVDZYINWLFICS-LPHOPBHVSA-N 450.495 2.125 30 10 JEEE C=CCN(CC=C)C(=O)[C@@H](CC)NC(=O)[C@H]1CC(=O)N(CCc2ccc(OC)c(OC)c2)C1 1862161935 ICZVGCDEFWQGST-VQTJNVASSA-N 457.571 2.190 30 10 JEEE C=CCN(CC=C)C(=O)C(C)(C)NC(=O)[C@H]1CC(=O)N(CCc2ccc(OC)c(OC)c2)C1 1862162897 VLTPWFZTNWSEMZ-IBGZPJMESA-N 457.571 2.190 30 10 JEEE C=CCOc1ccccc1[C@@H]1C(C(=O)NCCN2CCOCC2)=C(N)Oc2c1c(C)nn2CCC 1864319047 LMOXKCSKOGASEM-QFIPXVFZSA-N 481.597 2.309 30 10 JEEE N#Cc1cccc(NC(=O)CNC(=O)c2cc(-c3cccs3)n([C@@H]3CCS(=O)(=O)C3)n2)c1 1868144883 BOFZHBCIQGPISL-MRXNPFEDSA-N 469.548 2.211 30 10 JEEE CCCCCCCCn1cc(OCC(=O)N[C@H](C)CC)c(=O)cc1CN(CCO)CCO 1870527479 FOBLREVYWSXUAE-HXUWFJFHSA-N 453.624 2.289 30 10 JEEE C=CCN1C[C@H](C(=O)N2CCC(C(=O)NC[C@@H](c3ccccc3)N3CCCC3)CC2)CC1=O 1872917530 DGCXFTZLQJXNPH-PKTZIBPZSA-N 452.599 2.213 30 10 JEEE CCOc1ccc(/C=N/n2c(SCC(N)=O)nnc2[C@H]2CC(=O)N(C(C)C)C2)cc1OCC 1874336685 CLZOCEGRUPMUPH-PZLKWIMZSA-N 474.587 2.259 30 10 JEEE CCN1CCN(CC#CCOC2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)CC1 1889691819 PBRBGVBBOLCZCU-UHFFFAOYSA-N 484.460 2.260 30 10 JEEE CCN1CCN(CC#CCOC2CCN(C(=O)[C@@H](C)n3nc(-c4cccs4)ccc3=O)CC2)CC1 1891100077 FBZJVYMHEPASDW-OAQYLSRUSA-N 497.665 2.181 30 10 JEEE COc1ccccc1OCC#CCNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 1892000903 OXCYZTNYZTYYRK-FQEVSTJZSA-N 487.534 2.345 30 10 JEEE N#Cc1ccc(N2CCN(C(=O)C3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)CC2)cc1 1892320596 ZBUNLJBFBCIVGV-UHFFFAOYSA-N 456.543 2.447 30 10 JEEE N#CC1(NC(=O)Cn2cnc(I)c2I)CCCCC1 1963522769 PHVYFZGYCUBBQN-UHFFFAOYSA-N 484.079 2.435 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)NC[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 2060134705 CEUKFTPXZGJIMI-ZHRRBRCNSA-N 454.568 2.452 30 10 JEEE CC(C)(C)OC(=O)N1Cc2nccn2C[C@@H](C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C1 2181112260 MRIKSEYWTCLEEI-RTWAWAEBSA-N 464.570 2.487 30 10 JEEE C=C(CCNC(=O)OC(C)(C)C)CNC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C(F)(F)F 2246878934 JMCCVCJGYSSICY-CHWSQXEVSA-N 455.474 2.390 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]1NS(=O)(=O)c1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2255951222 AXYPVMPMYWUAKF-HZPDHXFCSA-N 456.345 2.069 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@H]2[C@@H]1[C@H]2C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2256680092 RHQSMEAGBKOSIO-HZSPNIEDSA-N 451.354 2.015 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@H]2[C@@H](C(=O)Nc3ncc(B4OC(C)(C)C(C)(C)O4)s3)[C@@H]21 2256680093 RHQSMEAGBKOSIO-MELADBBJSA-N 451.354 2.015 30 10 JEEE C[C@@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1F 2268634850 KVXOHYQZQMDEQL-BZNIZROVSA-N 456.295 2.477 30 10 JEEE Cn1cc(C(=O)N[C@@H]2[C@@H]3CCCCN(C(=O)OC(C)(C)C)[C@H]32)c(B2OC(C)(C)C(C)(C)O2)n1 2281980702 KJQDZGMOPFVQPS-USXIJHARSA-N 460.384 2.237 30 10 JEEE CC(C)(C)OC(=O)N1[C@H](CNC(=O)c2occc2B2OC(C)(C)C(C)(C)O2)C[C@@H]2OCC[C@@H]21 2282036319 HNSUPXKJHUWVCZ-XIRDDKMYSA-N 462.352 2.476 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)n1 2282036832 ODFCXSOSFDOMQZ-RUZDIDTESA-N 450.392 2.458 30 10 JEEE Cc1ccc(C(=O)N2C[C@@H](O)C[C@@H](NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2282127836 CNMIYIQSLHKNNM-SJORKVTESA-N 460.380 2.394 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](O)CN1C(=O)c1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2282464457 AUIQENIQQSNZET-CVEARBPZSA-N 464.343 2.225 30 10 JEEE 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]1C 2282581601 KBHXBTQAWICMIZ-ZBFHGGJFSA-N 462.400 2.403 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(F)(F)F)n1 2282587166 JDTKQWXEVNWPNE-CYBMUJFWSA-N 476.305 2.388 30 10 JEEE Cc1c(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282598634 MGJQWNLTSMEJAO-ZBFHGGJFSA-N 462.400 2.403 30 10 JEEE C[C@H](CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 2282614402 IKMQPQSPSFAMOB-CMJOXMDJSA-N 463.384 2.052 30 10 JEEE CCc1cc(B2OC(C)(C)C(C)(C)O2)ccc1NC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C 2283929356 KNXBUTVJTOWRMR-KRWDZBQOSA-N 461.368 2.255 30 10 JEEE CN(Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)C1(O)CC(NC(=O)OC(C)(C)C)C1 2284133442 QTVWOCLDYNBUKH-UHFFFAOYSA-N 460.380 2.362 30 10 JEEE CN(C[C@]1(O)CCCN(C(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)C1)C(=O)OC(C)(C)C 2286315554 JZXZDWJLBNEDHR-JOCHJYFZSA-N 481.424 2.276 30 10 JEEE CN[C@@H](C#Cc1ccc(Br)cc1)[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 2296304516 IGLVNYDRIMPYFA-DLBZAZTESA-N 457.390 2.423 30 10 JEEE CCOc1cccc(C=NNc2cnn([C@@H]3CCS(=O)(=O)C3)c(=O)c2Br)c1 2322659820 PQSPNLLDAJVLQG-CYBMUJFWSA-N 455.334 2.210 30 10 JEEE Cn1ncc(C(=O)NC[C@H]2C[C@@H]3CC[C@H]2N3C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2359263228 MVWGUDKPZFETFD-HLLBOEOZSA-N 460.384 2.237 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C)n1C 2362342537 ZXXUQBHLAUZNCU-ZBFHGGJFSA-N 462.400 2.403 30 10 JEEE CN(C[C@@H]1CCCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)C1)C(=O)OC(C)(C)C 2362352783 GJRIIWCISVKEOI-INIZCTEOSA-N 462.400 2.438 30 10 JEEE CC(C)(C)OC(=O)NC[C@]1(C)CN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CC1(F)F 2379682818 PGOBAFMHSSPRIU-HXUWFJFHSA-N 470.326 2.331 30 10 JEEE COc1ccc(/C=N/Nc2nnc(SCC(=O)Nc3cccc([N+](=O)[O-])c3)n2N)cc1OC 20292833 KFJNLLZTJYSMER-UFFVCSGVSA-N 472.487 2.094 30 10 JEEE COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccccc2[N+](=O)[O-])cc1 102534024 CRWLCJPKWAAHHN-SADKCHQCSA-N 467.478 2.357 30 10 JEEE CCOC(=O)[C@@H]1CCCN(c2nc(O)c3c(n2)NC(=O)[C@@H](C#N)[C@@H]3c2ccc(OC)c(OC)c2)C1 256033340 ORKPLUNDGVONID-VKJFTORMSA-N 481.509 2.203 30 10 JEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(-c3ccccc3F)o2)c(=O)n1C[C@H]1CCCO1 514522670 SMLVLIVGDJPKFD-QGZVFWFLSA-N 479.533 2.293 30 10 JEEE COc1ccc(OC)c(-c2cc(C(=O)NCC3CCN(c4nccnc4C#N)CC3)n(C)n2)c1 585227064 LYWRZJRAAPFDCI-UHFFFAOYSA-N 461.526 2.412 30 10 JEEE N#Cc1ccc(N2CCC(NC(=O)[C@H]3CCCCN3S(=O)(=O)c3cccs3)CC2)nc1 608949909 FJKAOLFRTIVTFT-GOSISDBHSA-N 459.597 2.343 30 10 JEEE CC(C)CN1C[C@H](C(=O)[C@@H](C#N)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)CC1=O 729069063 FFYCJCFKLANFRG-YLJYHZDGSA-N 474.583 2.013 30 10 JEEE C=CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1cn(CC(=O)O)nn1 757340586 OBDATDGUHKAEEV-QFIPXVFZSA-N 475.505 2.462 30 10 JEEE O=C(NCC#CC(=O)N1C[C@H]2COCC[C@]2(C(=O)O)C1)OCC1c2ccccc2-c2ccccc21 757488348 ZITIHSSOZKYWDY-MYUZEXMDSA-N 474.513 2.478 30 10 JEEE CON(C)S(=O)(=O)c1cccc(C(=O)O[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)c1 857601288 GZHVSWGYYUPSGQ-GFCCVEGCSA-N 463.537 2.474 30 10 JEEE Cc1nn(-c2ccccc2)c(N2CCOCC2)c1C=NNc1nc(SCCN(C)C)n[nH]1 1083893684 MBTHQADPJKGHFV-UHFFFAOYSA-N 455.592 2.235 30 10 JEEE COc1ccc(NC(=O)CSc2nnc(NN=Cc3ccc([N+](=O)[O-])cc3)n2N)c(C)c1 1084404285 NUBSJSLSGUFJII-UHFFFAOYSA-N 456.488 2.394 30 10 JEEE C=C(C)C[C@@H](NC(C)=O)C(=O)NCc1cccc(-n2cc(CNC(=O)OC(C)(C)C)nn2)c1 1131864968 JWVKCYODGGJTNP-HXUWFJFHSA-N 456.547 2.379 30 10 JEEE C#CCC1(NC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)CCCCC1 1178765858 RCNGJXNPUUTLSQ-UHFFFAOYSA-N 459.612 2.451 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1ccccc1Cl)N(C)C 1286296705 RDHZYOKKTSTTEO-VDGAXYAQSA-N 495.049 2.025 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cc2ccccc2o1 1286297887 YOWKOMBBCZILDG-OXJNMPFZSA-N 457.556 2.058 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2ccccc2F)n1CCn1cc(C)cn1)[C@@H]1CCS(=O)(=O)C1 1286386151 VMQFEHNVYHMDIC-RTBURBONSA-N 486.573 2.389 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Br)n1C[C@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1286386640 FDLJWKKAXKJBBZ-FOIQADDNSA-N 481.416 2.495 30 10 JEEE C#CCN(c1nnc(CSc2ccc(C)cc2)n1C[C@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1286398650 ZOZWVGJKFXRHKO-OALUTQOASA-N 461.657 2.456 30 10 JEEE C#CCN1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CC(C)(C)OCC)CC1 1286472902 MGHHZEYAEGMIHX-UHFFFAOYSA-N 473.647 2.117 30 10 JEEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCCCN2CCOCC2)CC1 1286484431 KLHMBIRHMRXQDS-UHFFFAOYSA-N 466.630 2.342 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC2(SC)CC2)CC1 1286488868 WPYATFJMOLIYIM-HSZRJFAPSA-N 461.632 2.180 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1286547742 PXQJYSPWBSMREC-GGAORHGYSA-N 487.693 2.392 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1286555904 MDEUJPBWSHOIHT-BQJUDKOJSA-N 481.663 2.261 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccn2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1286562357 QZXISYTZQUJBJD-REWPJTCUSA-N 467.618 2.312 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1286568733 XYWPQGMJEGLDCO-OPYAIIAOSA-N 457.579 2.193 30 10 JEEE C=C(C)COCCn1c(Cc2ccsc2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1286611771 PFXIJKSAZJNWMP-UHFFFAOYSA-N 467.599 2.344 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1286782573 YTXFYKSVMZNRKP-UHFFFAOYSA-N 473.599 2.194 30 10 JEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(Cc2cc(C)ccc2OC)CC1 1286791308 XXWUGJIFLKGPBN-UHFFFAOYSA-N 492.628 2.081 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC(C(=O)c3ccccc3)CC2)nnc1[C@]1(OCC)CCOC1 1286792632 DLZYVCISCHNDBC-VWLOTQADSA-N 467.570 2.332 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1CCC(=O)N1CCOCC1 1287050605 DFGBUXQZPNOODP-SBUREZEXSA-N 491.568 2.041 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCN1CCCO[C@H](C)C1 1300307533 GCWGBLUCDJNLTI-LEWJYISDSA-N 466.634 2.411 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2C[C@]2(O)CCC[C@@H]2C)c1 1300337340 ZLWUTQHYNWKNLX-AVRWGWEMSA-N 464.570 2.008 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@](C)(OC)C2CC2)CC1 1300681969 GCXOGASKQCTCAY-DEOSSOPVSA-N 471.005 2.432 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCCc2cnn(C)n2)CC1 1300716786 RDHVGPJALFEEHH-GOSISDBHSA-N 494.575 2.284 30 10 JEEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 1300761334 KRGQGXBMTHVVCC-ATKRNPRHSA-N 488.702 2.355 30 10 JEEE C=C(Br)Cn1c(N2CCC(N(C)C(C)=O)CC2)nnc1[C@@]1(OCC)CCOC1 1300861242 CSTYLHLLXTVFBR-LJQANCHMSA-N 456.385 2.286 30 10 JEEE C=C(C)COCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1300980715 LPYITBYNVGCPGP-HYBUGGRVSA-N 477.613 2.398 30 10 JEEE C=C(C)COCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(CNC(C)=O)CC1 1300992170 VFDNJGQXKCCYQZ-UHFFFAOYSA-N 479.585 2.137 30 10 JEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](c2ccc(C)o2)N2CCOCC2)CC1 1301106222 RSQZSJRMCOUQRR-ICSRJNTNSA-N 492.646 2.266 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1CC1(O)CC(OCC)C1 1301340104 VLTKOTHMXUUOCN-ITGJCUMNSA-N 450.543 2.223 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)NC(C)C)n1C[C@H]1CCN(S(C)(=O)=O)C1 1301350395 WXERMWWMHZHLND-KRWDZBQOSA-N 478.594 2.030 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1(C(N)=O)CCOCC1 1301426895 WVTXMGAHTARBKM-SFHVURJKSA-N 492.621 2.271 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(CCN3CCN(c4ccccc4)CC3)n2CC(C)(C)O)C1 1301565959 HVVNDNBDQLXSGM-JOCHJYFZSA-N 454.619 2.195 30 10 JEEE CC(C)N(CCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1)C(C)C 1303290996 BCXQUHGMOKVGCA-OAQYLSRUSA-N 495.694 2.250 30 10 JEEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1359024674 SNICNNAEABRSKN-LJQANCHMSA-N 498.632 2.451 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2CCCCN2CCC[C@H]2CO)CC1 1359043002 CEIXCAONUALFRW-NRFANRHFSA-N 482.604 2.287 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC(=O)N(C)C)CC1 1359046885 JOEFYTZZPLRWAJ-UHFFFAOYSA-N 480.613 2.209 30 10 JEEE C#CCSCCn1c(COc2ccccc2F)nnc1N1CCO[C@H](Cn2cccn2)C1 1359062014 TWRUSXLLHWNETG-SFHVURJKSA-N 456.547 2.465 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1CCCN(C)CCCNC(=O)OC(C)(C)C 1359069851 ZZUBWGDYXSRQHY-KBMIEXCESA-N 487.649 2.458 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1359093400 NFXAFHMXEBBEJP-KPFFTGBYSA-N 496.655 2.199 30 10 JEEE C=C(Cn1c([C@@H](C)OCCOC)nnc1N1CCN(C(=O)N2CCOCC2)CC1)c1ccccc1 1359138371 SFECESJGIDLHTG-OAQYLSRUSA-N 484.601 2.290 30 10 JEEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C2CCOCC2)CC1 1359210538 WZUMXKAYEIWLTJ-UHFFFAOYSA-N 488.658 2.463 30 10 JEEE C=CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCS(=O)(=O)NC(C)C 1359239646 TZDBVPVYHQULGH-KRWDZBQOSA-N 470.640 2.343 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@H](C(C)C)C1 1359294055 IYMSSFGOAIYOML-LJQANCHMSA-N 474.631 2.370 30 10 JEEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCO[C@@H](c2nnc(C(C)C)o2)C1 1359303423 NSVXUCQIWMAVKW-LJQANCHMSA-N 465.558 2.450 30 10 JEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC1[C@H](C)CN(Cc2ccccc2)C[C@H]1C 1445511953 FYSBCTQIJCWALI-QRVBRYPASA-N 454.596 2.498 30 10 JEEE N#Cc1ccc(S(=O)(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)cc1Br 1474999349 AWONGJKQEWIBSL-IBGZPJMESA-N 450.358 2.236 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccccc1-c1cnn(C)c1 1497085042 CQVOVVNCLNUMPN-FQEVSTJZSA-N 462.558 2.374 30 10 JEEE CCNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2csc(COC)n2)CC1 1502460729 DOUHGHBDGPZMFO-UHFFFAOYSA-N 496.597 2.231 30 10 JEEE CCOCc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CCC1(O)CCOCC1 1503103610 GFZQAIPYBCKMNS-UHFFFAOYSA-N 458.538 2.084 30 10 JEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1507593517 RBZRHZWYXCKPOP-FPOVZHCZSA-N 497.669 2.062 30 10 JEEE C#CCN(c1nnc(C(C)C)n1CCCCNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1507621967 DKFLIQRZGGGGPC-QGZVFWFLSA-N 453.609 2.333 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1Cc1cnc(C)s1)[C@H]1CCS(=O)(=O)C1 1507629346 SKKCXXXBYKMAKL-SFHVURJKSA-N 452.565 2.257 30 10 JEEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1C[C@@H](CC(C)C)NC(=O)OCC 1507652803 LHNQVPSOQCGQGV-QGZVFWFLSA-N 454.531 2.239 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccccc1CN1CC[C@@H](O)C1 1507676005 IGKFAGQKURNCBM-GVAUOCQISA-N 477.609 2.080 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H](C(CC)CC)N(C)C)CC1 1507718011 KRUIBVKWOTXXIL-QHCPKHFHSA-N 486.686 2.470 30 10 JEEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCCCOc2ccc(F)cc2)CC1 1507727395 PFYSWFDJTVNDTG-UHFFFAOYSA-N 454.550 2.154 30 10 JEEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1507755581 GBRJMYLGJSIQRV-HXUWFJFHSA-N 481.670 2.200 30 10 JEEE C=C(Br)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@H](OCCOC)C1 1507779975 JSKUNVDYWPEJQV-KRWDZBQOSA-N 475.351 2.071 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1507803809 IXTJOMCHMZZIOV-WMZHIEFXSA-N 487.674 2.262 30 10 JEEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1507934454 GDVLNBDBHMTVGC-UXHICEINSA-N 462.620 2.255 30 10 JEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(F)cc1Cl 1507984374 VJQPVIYHMNCZMZ-QGZVFWFLSA-N 457.959 2.268 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCCC[C@H](SC)C1 1508075714 ZJJSWKHDRCETOW-SFHVURJKSA-N 492.671 2.220 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1508143389 GRPPTHNKRURQST-GOEBONIOSA-N 459.494 2.021 30 10 JEEE CN(C)C(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1516961900 DQFKFZMLLZREIW-UHFFFAOYSA-N 477.491 2.190 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CC1(N(C)C)CCCC1)[C@H]1CCS(=O)(=O)C1 1539206995 YOQKSURGXSFURR-FQEVSTJZSA-N 471.627 2.455 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@](C)(O)c1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 1539223194 ZKUNONVMCCIXAN-PNCHPQGNSA-N 493.029 2.360 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccc(OC)cc2)n1Cc1cccc(N2CCOCC2)n1 1539278421 BTEIVVGVKZKCKP-UHFFFAOYSA-N 472.549 2.218 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CCC[C@H]1CCCN1C(=O)OC(C)(C)C 1539412974 FZEAYLSTWAGALY-RTBURBONSA-N 474.606 2.495 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2CCC(=O)NC)CC1 1539470153 KWCOOLZJAJWORF-MRXNPFEDSA-N 468.627 2.233 30 10 JEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(O)(c2ccccc2Cl)CC1 1539497120 KIWFSLDFOSUKET-INIZCTEOSA-N 498.074 2.396 30 10 JEEE C#CCSCCn1c(COc2cccc(C)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1539526325 MUTFTRLUSFKLIB-UHFFFAOYSA-N 463.629 2.004 30 10 JEEE C=C(C)Cn1c(N2C[C@@H](C(=O)OC)[C@H](CNC(=O)OC(C)(C)C)C2)nnc1[C@]1(OCC)CCOC1 1539723110 OFBUUXMZWBZDST-GGUMNFRJSA-N 493.605 2.256 30 10 JEEE C=C(Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1CCOCC1)c1ccccc1 1539767013 HYHYYWYTBQIIIG-OAQYLSRUSA-N 475.615 2.187 30 10 JEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC2(CCCCC2)C1 1540004635 CQJGZPBKOOFFRQ-GOSISDBHSA-N 453.609 2.117 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN2CCCC[C@@H]2C1 1540870007 CBHSJDQWUODCSL-VQTJNVASSA-N 487.649 2.369 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1C[C@@H]1CCCN1C1CCCCC1 1541920938 HSJOOECPVJPMDM-PXNSSMCTSA-N 463.652 2.425 30 10 JEEE N#Cc1ccc(N2CCN(S(=O)(=O)c3cccnc3)[C@@H](C(=O)NC3CC3)C2)cc1C(F)(F)F 1548369472 HOBIQHNHSDXWEJ-LJQANCHMSA-N 479.484 2.130 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2C[C@@H]2CCC[C@@H]2OC)c1 1587697752 WYXBYOXUADGTBU-FPOVZHCZSA-N 464.570 2.272 30 10 JEEE C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@@H]1CCc2ccccc21)[C@H]1CCS(=O)(=O)C1 1588035275 QLAZSCKFZXCIMK-JBACZVJFSA-N 472.611 2.359 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H]1CCCCS1(=O)=O 1588219023 IXRYGKRBSNAQAX-IBGZPJMESA-N 492.605 2.105 30 10 JEEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1CCNc1nccc(C(F)(F)F)n1 1588272239 WPFSWBKXLNRZPO-IBGZPJMESA-N 453.469 2.311 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCc2c[nH]c3cccc(C)c23)CC1 1588885329 VIRDVYRQCSWBTG-UHFFFAOYSA-N 475.597 2.415 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@@H](Cc2ccccc2)OC)CC1 1588947130 LLXYQLIBVCWYOJ-XMMPIXPASA-N 472.593 2.487 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@@](C)(O)c2cccc(Cl)c2)CC1 1588968731 PLRPCAQUOYADRP-HSZRJFAPSA-N 459.978 2.342 30 10 JEEE C=CCSCCn1c([C@H]2CCCOC2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1595878647 QSBCRMYEQTUDKI-IBGZPJMESA-N 473.647 2.471 30 10 JEEE CC(C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCCCC2)CC1 1610129445 BOYWQXAHYHPCEY-UHFFFAOYSA-N 478.645 2.339 30 10 JEEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H](c2c(F)cccc2F)N(C)C)CCOC1 1616260587 DKWJOZRGQISCNW-ZDWFVDTJSA-N 476.528 2.240 30 10 JEEE CNC(=O)C(C)(C)Cn1c(Cc2ccccn2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1618520949 BBGGIRYJLDLQTL-UHFFFAOYSA-N 472.597 2.230 30 10 JEEE C#CCOc1ccc(C(=O)NC[C@H](O)COc2ccc(I)cc2)cc1 1622535880 FHDPXMNKXVJUAX-INIZCTEOSA-N 451.260 2.473 30 10 JEEE C[C@@H](CC(=O)NCC1(NC(=O)OC(C)(C)C)CCC1)/N=C1/NS(=O)(=O)c2ccccc21 1623731559 FDBQGPXTNOUJNQ-AWEZNQCLSA-N 450.561 2.067 30 10 JEEE C#CCNS(=O)(=O)c1cccc(C(=O)N(CC#C)C2CCN(C(=O)OC(C)(C)C)CC2)c1 1638327627 MXSFAHADQACRAP-UHFFFAOYSA-N 459.568 2.073 30 10 JEEE C=CCn1c(S[C@@H](C)C(=O)N(C)[C@H]2CCS(=O)(=O)C2)nnc1-c1cccc(OC)c1 1640969980 CTJGARJGROHYNB-HOCLYGCPSA-N 450.586 2.266 30 10 JEEE C=CCOCCCNC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 1658029122 JLMQLBKWWVXHFJ-UHFFFAOYSA-N 452.577 2.022 30 10 JEEE C=CCOc1ccc(CNC(=O)Nc2ccc(NC(=O)CCN3C(=O)CNC3=O)cc2)cc1 1668660707 AIXCIRMGCCVJPV-UHFFFAOYSA-N 451.483 2.454 30 10 JEEE C=CCN(C(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)OC)C2)cc1)[C@H](C)COC 1672849770 WMHUYZHQWLTKAI-SJORKVTESA-N 453.561 2.315 30 10 JEEE C#CCCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1689893099 UHNNUFVJPZVNBX-PXNSSMCTSA-N 459.572 2.064 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1690236042 HQWNTBAGCOQYTR-OPYAIIAOSA-N 467.574 2.402 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2(COC)CCCCC2)CC1 1690375696 RDQRIUUXRBTFQQ-IBGZPJMESA-N 467.636 2.364 30 10 JEEE C=CC1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H]2CC(=O)N(CCOC)C2)CC1 1690398780 GOIRSOCGWIOVLH-HYBUGGRVSA-N 461.607 2.216 30 10 JEEE C=CC1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2CC(=O)N(CCOC)C2)CC1 1690398781 GOIRSOCGWIOVLH-RDPSFJRHSA-N 461.607 2.216 30 10 JEEE C=CCCOCCn1c([C@@H]2COc3ccccc3O2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1690508473 JSDLUJQDJUBFOQ-XLIONFOSSA-N 462.572 2.397 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](COC(C)C)C1 1690683168 CVHZQZLWSWBQOS-LEWJYISDSA-N 490.626 2.424 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](C)CNC(=O)OC(C)(C)C)C1 1690709327 FRQODIGEYMUHNH-QZTJIDSGSA-N 462.595 2.343 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc3cccnc23)nnc1N1CCC(S(C)(=O)=O)CC1 1690720290 FADYPOLIDCEABC-UHFFFAOYSA-N 489.623 2.108 30 10 JEEE C[C@H](C#N)CN(C)c1nnc(-c2cc(Br)c[nH]2)n1CC1CCS(=O)(=O)CC1 1690995116 DFPWEXKKVGJNEK-GFCCVEGCSA-N 455.382 2.456 30 10 JEEE CCN1CCCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1695840478 BYIAENMDKRRJBC-VXKWHMMOSA-N 451.575 2.032 30 10 JEEE CCN1CCN(C[C@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCCOCC2)CC1 1695903980 CUWIIBZNXCKRBK-NRFANRHFSA-N 467.618 2.229 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H](c1ccccc1Cl)N(C)C)[C@H]1CCS(=O)(=O)C1 1705565472 ILXQGDOZYVTTFG-LVCYWYKZSA-N 492.045 2.365 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CCC(=O)N[C@H](C)CC)CC1 1705634367 SNOMHGWLEJVYQT-LJQANCHMSA-N 460.586 2.395 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H](c2ccco2)N(C)C)CC1 1705645475 VGDGSUKNYFAMIE-QFQXNSOFSA-N 498.628 2.180 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCN(C)C2CCCCC2)CC1 1705650940 DJRMFWDYVGQLKJ-UHFFFAOYSA-N 480.661 2.370 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H]1CCN(S(C)(=O)=O)C1 1705714151 GTCQFPOQTXIDHV-SFHVURJKSA-N 499.641 2.359 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 1705936326 OFBNPCXUQDXITJ-HZPDHXFCSA-N 488.536 2.440 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1nnc2n1CCCCC2 1722283547 VTDFRIKIKFWLQW-MRXNPFEDSA-N 453.572 2.173 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)cc1OCC1CC1 1722296494 QOZRZNUPZIQRKZ-PGRDOPGGSA-N 487.626 2.214 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2CCCNC(=O)C(C)C)c1 1722310431 VWKFLQOQHJCYSL-FQEVSTJZSA-N 466.586 2.391 30 10 JEEE C#CCCCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1722320812 LFNIGDQUMOGUJP-FQEVSTJZSA-N 478.597 2.239 30 10 JEEE C#CCCCn1c(N2CCc3nn(C)c(=O)cc3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1722341328 WFRWBJYZSLDITR-MAEOIBBWSA-N 467.574 2.119 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H](C(C)C)N2CCOCC2)CC1 1722429675 PYGQUYREOKPMKE-XMMPIXPASA-N 493.656 2.259 30 10 JEEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1722461878 IQJMLMLRNDBASB-FQEVSTJZSA-N 455.632 2.249 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc([C@H](C)O)cc2)CC1 1722581598 JQMDIJPKIIKLBQ-UWJYYQICSA-N 475.615 2.115 30 10 JEEE C=CCN(CC=C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1(S(C)(=O)=O)CC1 1722665346 KGJOHMBZVQDXGZ-UHFFFAOYSA-N 478.644 2.302 30 10 JEEE COc1cc(OC)c(CCn2c(CN3CCCC3=O)nnc2N2CCC(C#N)CC2)c(OC)c1 1730007403 FFRJJLPTSDLUPH-UHFFFAOYSA-N 468.558 2.409 30 10 JEEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(N2CCSCC2)CCCCC1 1740609900 PSBLLWGWNHMSSR-GOSISDBHSA-N 451.662 2.001 30 10 JEEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1CC(C)(C)CCOC)[C@@H]1CCS(=O)(=O)C1 1740627069 XMZMEXUDNVVRIM-HXUWFJFHSA-N 484.626 2.206 30 10 JEEE C#CCN(c1nnc(COc2ccc(Br)cc2)n1CCCOC)[C@@H]1CCS(=O)(=O)C1 1740628794 UNJJSVLLENYUOU-QGZVFWFLSA-N 497.415 2.283 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(C)(C)C(=O)NC 1740684893 DWYPKXIOSJVPSQ-GOSISDBHSA-N 476.622 2.251 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@](C)(O)c2ccco2)CC1 1740689387 CVYKZIYJNCVURY-DEOSSOPVSA-N 482.972 2.117 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](C)CN(C)C(=O)OC(C)(C)C)CC1 1740694587 NUWZKJBKOOHEQG-WOJBJXKFSA-N 460.623 2.430 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[C@H](OC)C(F)(F)F)CC1 1740697603 LJPVIBAFMPDVTE-SFHVURJKSA-N 485.532 2.071 30 10 JEEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H](C(=O)NC)C1 1740711539 PIYGBQQQIAIPBO-ZDUSSCGKSA-N 451.394 2.365 30 10 JEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 1740719555 GWJDQMCZGDHEJL-KRWDZBQOSA-N 462.620 2.260 30 10 JEEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCN(C[C@H]2CCOC2)CC1 1740739556 VMQIZQINNWNZRA-DLBZAZTESA-N 458.401 2.069 30 10 JEEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 1740747178 AYNMOZVHQOFGRL-UHFFFAOYSA-N 487.402 2.200 30 10 JEEE C=C(C)COCCn1c(-c2cc(Br)cn2C)nnc1N1CC(=O)N(C)C[C@@H]1C 1740787458 IKOUGXVJSUHJQT-AWEZNQCLSA-N 451.369 2.306 30 10 JEEE C=CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1740858998 DNPBYMSCGFXCAD-HSZRJFAPSA-N 472.615 2.411 30 10 JEEE C#CCCCCn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1748706503 KWJCGJIKDGDNEI-JOCHJYFZSA-N 487.626 2.388 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCS(=O)(=O)N(C)C 1748867587 JXIWPKONQATDHT-FQEVSTJZSA-N 457.600 2.389 30 10 JEEE C#CCN1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2C[C@H](OC)C(C)(C)C)CC1 1748989946 RUKFBKZGGBURFE-NRFANRHFSA-N 466.634 2.268 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2CCCO[C@H]2CCOC2)CC1 1749003697 RYVHGIZKMCUIFW-QFIPXVFZSA-N 467.570 2.115 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cn(C)c4ccccc34)n2CCNC(=O)C(C)C)CC1 1749009919 XJXKWQICBNXMSQ-UHFFFAOYSA-N 475.597 2.175 30 10 JEEE C#CCSCCn1c(-c2ccccc2OC)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1749029107 KEXORFUXADOMPY-SFHVURJKSA-N 468.627 2.109 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCN1CCN(C(C)=O)CC1 1749051967 SVMNXANAQAUPAI-RUZDIDTESA-N 498.031 2.018 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1749175301 CZKFINXDPDIITH-OALUTQOASA-N 458.588 2.019 30 10 JEEE C=CCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCN(C(=O)NCC)CC1 1749433921 ANINMJWLXGZXHQ-UHFFFAOYSA-N 480.661 2.461 30 10 JEEE C=CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1749622346 UMDPKBKYYDXOQG-UHFFFAOYSA-N 465.385 2.419 30 10 JEEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCN(CCN2[C@@H](C)CC[C@@H]2C)CC1 1749640290 MCUZGLPMQVSKGB-OALUTQOASA-N 457.648 2.450 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(N(C)c2ccccc2)CC1 1749651215 PUGUNSXYPQOECI-UHFFFAOYSA-N 474.569 2.333 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1749664328 KMQRIKCHFIYWCW-FQEVSTJZSA-N 479.629 2.125 30 10 JEEE Cc1cc([C@](C)(O)Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)c(C)o1 1751386054 CJYZQPCDJZBJIC-HYBUGGRVSA-N 499.593 2.470 30 10 JEEE C#CCN(C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H](N1CCOCC1)C(F)(F)F 1760173472 WPKPPNNPRTVWJR-SFHVURJKSA-N 453.465 2.295 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@H]1OCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1760185336 VMUSXFITRGOBKV-VQTJNVASSA-N 453.568 2.259 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC1(CCOCC)CCC1)[C@@H]1CCS(=O)(=O)C1 1760188175 MYPNQJJHCMGHBT-RTBURBONSA-N 450.605 2.006 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@](C)(O)c1ccsc1 1760196683 LAINZGUSVFYPFA-QHCPKHFHSA-N 483.619 2.237 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CC(C)(C)NC(=O)OC(C)(C)C)CC1 1760262644 UPVXAEOSHNOSOF-UHFFFAOYSA-N 453.591 2.322 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(CCN2[C@@H](C)CC[C@H]2C)CC1 1760313296 LXRGZNRSTIERGW-BJESRGMDSA-N 487.693 2.392 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nnc(C(C)(C)C)s1 1760337065 MXSJQSZJXSSGNY-OAHLLOKOSA-N 483.664 2.211 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1760342831 NXNQOWFFQXEOFR-FQEVSTJZSA-N 474.631 2.073 30 10 JEEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1760406732 KLRWCESPCUHHSZ-KRWDZBQOSA-N 490.630 2.159 30 10 JEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(OC(F)F)c(OC)c1 1760510465 ZEUBCDJIZJYMHI-QGZVFWFLSA-N 487.529 2.043 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Br)c2)nnc1N1CC[C@@](C)(C(N)=O)C1 1760551117 UMQYLZBOEYWPNR-LJQANCHMSA-N 482.404 2.010 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(Cc2cc(C)ccc2OC)CC1 1760555807 OAKLKEHHPRBGCR-FQEVSTJZSA-N 489.642 2.022 30 10 JEEE C/C(=C\c1ccccc1)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1CCN/C(O)=C1\N=CC=CC1=O 1760570042 FLABFGDSBABFBR-OVHAVFRWSA-N 475.553 2.295 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCNC(C)=O)[C@H]2c2ccc(N(C)C)cc2)cc1OC 1862572671 KPLRRDHSXPINBT-QFIPXVFZSA-N 467.522 2.484 30 10 JEEE COc1ccc(NC(=O)[C@@H](CO)NC(=O)C2CCN([C@@H](C#N)c3cccs3)CC2)cc1OC 1866867305 OCJDAURWCMEDSJ-MSOLQXFVSA-N 472.567 2.158 30 10 JEEE N#Cc1nnn(-c2cccc(Br)c2)c1NC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 1870155666 YZPXYFOVRUQMRD-UHFFFAOYSA-N 496.237 2.044 30 10 JEEE C#CCOc1cn(Cc2ccc(S(N)(=O)=O)cc2)c(CN(C)Cc2ccccc2)cc1=O 1870560178 KLPFORGCSMODID-UHFFFAOYSA-N 451.548 2.188 30 10 JEEE C=CCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2cccc(NC(C)=O)c2)[nH]1 1871532582 UPYJOISQJMHEQQ-UHFFFAOYSA-N 474.569 2.351 30 10 JEEE CN1CCN(CC#CCOC2CCN(S(=O)(=O)c3ccc(Br)cc3F)CC2)CC1 1890475361 NVLHEOFEFMTRNE-UHFFFAOYSA-N 488.423 2.009 30 10 JEEE C=CCNC(=O)[C@H](C)[S@](=O)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1990671564 LVQGBJLFXOQFJD-KQOJPKKMSA-N 470.547 2.418 30 10 JEEE C=CCNC(=O)[C@H](C)[S@@](=O)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc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c1cc(I)cc(I)c1O 2202790198 YKLIYIPUWXNIJB-UHFFFAOYSA-N 499.042 2.198 30 10 JEEE CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2255623066 IVLATRFYXPCZTJ-CABCVRRESA-N 452.382 2.411 30 10 JEEE CC1(C)OB(c2occc2C(=O)N[C@H]2COCCN(C(=O)OCc3ccccc3)C2)OC1(C)C 2255702768 LDUTYRQDMZKUOL-GOSISDBHSA-N 470.331 2.346 30 10 JEEE CC(C)(CNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2255801303 ZTIZRFTVRAZHDQ-UHFFFAOYSA-N 475.442 2.165 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N[C@@H]2[C@H](NC(=O)OC(C)(C)C)[C@H]3CCCO[C@H]32)C1 2266541111 WLNUTOSSLIGFMU-ZTWPHXDSSA-N 463.575 2.480 30 10 JEEE Cc1csc(C(=O)N2C[C@@H](O)C[C@@H](NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267149866 BJYXZDWQCWXZFW-CABCVRRESA-N 466.409 2.456 30 10 JEEE CC1(C)OB(c2cccnc2C(=O)NC[C@H]2CN(C(=O)OCc3ccccc3)CCO2)OC1(C)C 2267267685 LNAPJUSKBFQVIT-IBGZPJMESA-N 481.358 2.148 30 10 JEEE C[C@H]1CCN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C[C@H]1NC(=O)C(F)(F)F 2267465659 PVGUERFESRBDLJ-WCQYABFASA-N 482.355 2.125 30 10 JEEE CC(C)(C)OC(=O)NCCCONS(=O)(=O)Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2267709378 AOYCQTPPYQGGOH-UHFFFAOYSA-N 470.397 2.252 30 10 JEEE Cc1nc(NC(=O)[C@H]2CSCCN2C(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2268636142 ZQLAZNBKCOOUKD-OAHLLOKOSA-N 464.397 2.375 30 10 JEEE C[C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2281825835 BZYYGTCMNMVJIP-CVEARBPZSA-N 462.400 2.485 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1CO[C@H](CNC(=O)OC(C)(C)C)C1 2281963163 IRGBJASYVWEBOQ-GJZGRUSLSA-N 481.424 2.410 30 10 JEEE Cn1nc(C(=O)N2C[C@@H](F)C[C@@H]2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2282047437 YIFLQIPXCQBUTP-QWHCGFSZSA-N 486.781 2.450 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@@H]2NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2282317242 OGTRXRATYNGKQY-RPVQJOFSSA-N 482.383 2.411 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@]1(F)CCCN(C(=O)OC(C)(C)C)C1 2282536797 HPNWNOUUBFHIOQ-JOCHJYFZSA-N 466.363 2.188 30 10 JEEE CCn1cc(C(=O)N2CCCC23CN(C(=O)OC(C)(C)C)C3)nc1B1OC(C)(C)C(C)(C)O1 2282541780 DBZIOPAWYZGSDJ-UHFFFAOYSA-N 460.384 2.428 30 10 JEEE C[C@@H]1CCN(C(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)C[C@H]1CNC(=O)OC(C)(C)C 2282578541 SPHLOVMYRQLZCP-HZPDHXFCSA-N 462.400 2.342 30 10 JEEE Cn1cc(C(=O)N[C@H]2CC23CCN(C(=O)OC(C)(C)C)CC3)c(B2OC(C)(C)C(C)(C)O2)n1 2282584657 FYMFQVBHRALICA-INIZCTEOSA-N 460.384 2.239 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2282705894 DTIPGFJQEXBXQT-CVEARBPZSA-N 458.368 2.390 30 10 JEEE Cc1ccc(S(=O)(=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)c1 2282828819 VIPFSHJCSMIOTD-HGKCTWBKSA-N 478.420 2.438 30 10 JEEE CC1(C)OB(c2cncc(S(=O)(=O)N[C@H]3CCOC[C@H]3OCc3ccccc3)c2)OC1(C)C 2282864153 ZNHHWWQYGALNCD-LEWJYISDSA-N 474.388 2.033 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](C(=O)NCc1sccc1B1OC(C)(C)C(C)(C)O1)[C@H](O)C(F)(F)F 2284128679 ITERXOWPYCQYBY-KGLIPLIRSA-N 494.341 2.480 30 10 JEEE CN(C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CN(C(=O)OC(C)(C)C)CC1(C)C 2289955744 KNRLAHFIDVNNCU-MRXNPFEDSA-N 462.400 2.437 30 10 JEEE COc1ccc([C@@H]2C(=C(O)c3ccc([N+](=O)[O-])cc3)C(=O)C(=O)N2CCOCCO)c(OC)c1 2296166926 GRVREKHMZFGVMX-HXUWFJFHSA-N 472.450 2.043 30 10 JEEE CC(C)(C)OC(=O)N(CCO)CCC(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)s1 2319847134 HDOPSJAHINKXIC-UHFFFAOYSA-N 454.398 2.283 30 10 JEEE CC(=O)NCc1nnc(SCC(=O)NC2CCCCC2)n1N=Cc1ccccc1C(=O)O 2330770376 BTSCHVWOCLVVER-UHFFFAOYSA-N 458.544 2.036 30 10 JEEE C[C@@H](NC(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O)c1nscc1B1OC(C)(C)C(C)(C)O1 2359383620 WRCUXJCHFHWQQG-IIAWOOMASA-N 481.424 2.237 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)[C@H]2C1 2362350066 NNSFIEKNDXBHHU-JYJNAYRXSA-N 460.384 2.095 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@]2(CNC(=O)c3nccnc3B3OC(C)(C)C(C)(C)O3)CC[C@H]1C2 2363696673 CEMCGKMOOYCHFQ-WNSKOXEYSA-N 458.368 2.295 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@@H]1CNc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2365059668 UUYBAMTYIVQKDW-JENIJYKNSA-N 461.368 2.479 30 10 JEEE COc1nc(N2CC[C@@H](NC(=O)OC(C)(C)C)[C@H](CO)C2)ccc1B1OC(C)(C)C(C)(C)O1 2365346294 QWHZOWGUUOZISK-DOTOQJQBSA-N 463.384 2.101 30 10 JEEE Cc1c(C(=O)N(C)[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2F)nn(C)c1B1OC(C)(C)C(C)(C)O1 2369671016 XOBLIDGNEKNGMW-CABCVRRESA-N 466.363 2.057 30 10 JEEE CC/C(=N\Nc1nc(SCC(=O)Nc2nnc(SCC(N)=O)s2)n[nH]1)c1ccccc1 20835362 KFCOWYBGDCBCBC-SRZZPIQSSA-N 477.601 2.191 30 10 JEEE CC1=CC(=O)/C(=C2/C=C(C(=O)Nc3ccc(S(=O)(=O)N4CCC[C@@H](C)C4)cc3)NN2)C=C1 136982868 GRQMNGQXDQDJBV-DVSFIDLUSA-N 454.552 2.377 30 10 JEEE CCOC(=O)[C@@H]1CCCN(c2nc(=O)c3c([nH]2)NC(=O)[C@@H](C#N)[C@H]3c2ccc(Cl)cc2)C1 203567604 BFZMMXWLICLJDQ-VNQPRFMTSA-N 455.902 2.427 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)NCc3ccc(S(=O)(=O)N(C)C(C)C)cc3)cc2C1=O 517909111 HTULDRUQEVVOGN-UHFFFAOYSA-N 455.536 2.428 30 10 JEEE N#CC(C(=O)N1CCCC1)=c1sc(=Cc2cnn(-c3ccc(F)cc3)c2)c(=O)n1Cc1ccccc1 728557098 DKWBAEHRNMTBTF-UHFFFAOYSA-N 499.571 2.408 30 10 JEEE COCCn1cc(C=NNc2nc(SCC(=O)Nc3nnc(SC(C)C)s3)n[nH]2)cn1 1084319562 XKRDRCBXNFZVKF-UHFFFAOYSA-N 482.621 2.176 30 10 JEEE N#CCOc1cc(F)ccc1NC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 1215890149 DFHIZAILGNEXRO-QGZVFWFLSA-N 455.494 2.145 30 10 JEEE C#C[C@@H](NC(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F)c1ccc(Br)cc1 1217656445 DLFGZMOWPUTAKA-OLZOCXBDSA-N 456.284 2.245 30 10 JEEE CCNC(=O)COc1ccc(CNC(=O)N2CCN(c3ccsc3C#N)CC2)cc1OC 1220891982 FNVSMDHDCXIPDC-UHFFFAOYSA-N 457.556 2.175 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cnccn2)n1C[C@@H]1C[C@@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1286284242 ABXHRSIBEGQHKW-ZMMAXQRCSA-N 453.547 2.217 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc2ccccc2s1 1286295750 KTMXJXQUJJHJAO-CRAIPNDOSA-N 459.597 2.332 30 10 JEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1286322880 HNMRGVZHFOHBHW-SFHVURJKSA-N 472.571 2.219 30 10 JEEE C#CCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCNS(=O)(=O)c1ccc(C)s1 1286376010 CEQIYPDDNVSBFM-SFHVURJKSA-N 473.580 2.208 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CCc1sccc1C)[C@H]1CCS(=O)(=O)C1 1286379714 BENWIMAODAVFOB-SFHVURJKSA-N 477.656 2.436 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1CCN(C)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1286384348 IDERUNLJTIQOQN-SJORKVTESA-N 453.609 2.285 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CC[C@@H]1CCO[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1286394885 XQKPXLUXEGVHTH-TYPHKJRUSA-N 457.600 2.096 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@H]2CC[C@H](C)C2)CC1 1286473499 NJMSRDPPKWKMOR-VQTJNVASSA-N 470.643 2.387 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ccc(OC)nc2OC)CC1 1286485604 RDHFRFKRBSRIJA-TZIWHRDSSA-N 468.602 2.412 30 10 JEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(Cc2ccc(F)cc2)CC1 1286505373 YKALBUUPQIXZAO-FQEVSTJZSA-N 456.591 2.447 30 10 JEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](CN2CCCC[C@H]2C)C1 1286823198 MHNLSKHCSUFOHT-NHCUHLMSSA-N 492.690 2.092 30 10 JEEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)c2ccccn2)CC1 1286836873 RBXCJKQAYRCDHY-ICSRJNTNSA-N 472.615 2.279 30 10 JEEE CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(C)(=O)=O)CC12CCCCC2 1286875127 GZOBBPRXKFULHC-UHFFFAOYSA-N 499.641 2.127 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H](c1ccc(C)o1)N1CCOCC1 1300329720 RYJLPKKOHPHFNZ-UTYWTXRGSA-N 457.575 2.435 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2Cc2nccn2C(F)F)c1 1300333015 SGBFTLFWEDQZHF-UHFFFAOYSA-N 463.452 2.431 30 10 JEEE COc1cccc(-c2nnc(N(CCC#N)CCC(C)C)n2C[C@]2(O)CCS(=O)(=O)C2)c1 1300354623 GGPMQTHVHVDIEN-JOCHJYFZSA-N 461.588 2.269 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(C(=O)NCC)cc1 1300555101 SZWWJAHGAVTQHG-UHFFFAOYSA-N 455.522 2.186 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@@]2(OC)CCOC2)CC1 1300689320 UJTIKFIAVPHTIV-NRFANRHFSA-N 478.366 2.407 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H]2CCCO[C@@H]2C(C)(C)C)CC1 1300719869 TYQZVAFSDDXHJL-CTNGQTDRSA-N 467.618 2.486 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CSc3ccccc3OC)n2CC(=O)N(C)CC)CC1 1300731420 FOUIUINDYDVIEJ-UHFFFAOYSA-N 484.626 2.023 30 10 JEEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCC(CN2CCOCC2)CC1 1300831478 ZXJNYFZEGMWNEL-KRWDZBQOSA-N 472.428 2.459 30 10 JEEE C=C(C)COCCn1c(N2CC(C)(C)O[C@@]3(CCOC3)C2)nnc1[C@]1(OCC)CCOC1 1301002079 SXRCQIXYNWAZLF-GOTSBHOMSA-N 450.580 2.297 30 10 JEEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2cc(F)ccc2OC)CC1 1301016618 ADGCQCQAVVTEGW-HNNXBMFYSA-N 487.001 2.111 30 10 JEEE C=C(Cl)Cn1c(-c2noc3c2COCC3)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1301037441 VAUWMIYIZOHXFQ-HUUCEWRRSA-N 464.954 2.126 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1301402270 DYWMRXBKVBJMQN-FXAWDEMLSA-N 459.572 2.251 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCc2ccc(Cl)cc2C1 1301479414 ZOARGWZXLIXYKF-UHFFFAOYSA-N 451.918 2.444 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1301578217 ZQQOJSCXBKKCNO-WBVHZDCISA-N 450.996 2.267 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCCc2ccccc2)nnc1N1CCC2(CC1)CNC(=O)C2 1301585449 BBBQZEYNKNVYRA-UHFFFAOYSA-N 471.627 2.161 30 10 JEEE CC(C)(C)OC1CC(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@](F)(C#N)C2)C1 1302297378 BZLLBJCSJSMHEO-KEAYGVSJSA-N 498.625 2.037 30 10 JEEE CC[C@H](Cn1c(C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C)NC(=O)OC(C)(C)C 1305805868 DFKZVUGFEQQHKX-NVXWUHKLSA-N 455.567 2.267 30 10 JEEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1358936677 ULEPQXGRNVQCKU-WOJBJXKFSA-N 458.607 2.184 30 10 JEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCN1CCCO[C@H](C)C1 1358949536 FZNUPMHBBHGGRL-WOJBJXKFSA-N 476.622 2.157 30 10 JEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CC1(CCOC)CCCCC1)[C@H]1CCS(=O)(=O)C1 1358955816 UOIBTJUIOGGXEK-FQEVSTJZSA-N 491.658 2.128 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H]1CCCCN1CCC)[C@@H]1CCS(=O)(=O)C1 1358960627 IPMHMVYPQYWUED-NHCUHLMSSA-N 456.616 2.231 30 10 JEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1CCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1358964527 ANWXGWFTCOQPQB-HXUWFJFHSA-N 473.002 2.354 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CCC1(COC)CCCC1)[C@@H]1CCS(=O)(=O)C1 1358965103 NXCUQSZSEGUWJV-OAQYLSRUSA-N 471.627 2.488 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1Cc1c(CC)noc1C)[C@@H]1CCS(=O)(=O)C1 1358966585 RPZTWKXHHAJYQY-LJQANCHMSA-N 494.577 2.263 30 10 JEEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(-n2ccnc2C)nc1 1358970501 PTTDPEQDRMPQNQ-VWLOTQADSA-N 459.554 2.329 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccc(C(N)=O)nc1 1358998692 PEXKHYUFRKWISE-KDURUIRLSA-N 477.569 2.054 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](CN(C)CCC)C1 1359099727 SFLPZVMKZYSLTE-NCYKPQTJSA-N 465.664 2.330 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1359183530 NJWUMRJIIPEWDN-MRXNPFEDSA-N 492.606 2.120 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H](C)OC(C)(C)C1 1359293174 JKVJVNPDGOMFQL-CYBMUJFWSA-N 451.369 2.352 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1359302069 VYIOMTXZVSUUBI-HDICACEKSA-N 461.010 2.370 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1359309296 NQXKWLTWZOZHHS-CMKODMSKSA-N 475.615 2.364 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C(C)=O)C[C@H]1C 1359334188 WKEVPFFKBJZWQJ-MRXNPFEDSA-N 466.007 2.180 30 10 JEEE C#CCNC(=O)CN1CCCN(C(=O)[C@H](C)Oc2ccc(Cl)cc2Br)CC1 1443355494 JAKGGQRHBFDEDL-AWEZNQCLSA-N 456.768 2.154 30 10 JEEE CCCNS(=O)(=O)c1ccc(NC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)cc1 1465663679 FLONRVKRRFQWIR-UHFFFAOYSA-N 458.544 2.466 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCOCc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1507632173 JNFGMZGZKMZBRW-UNMCSNQZSA-N 488.610 2.372 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](CC)OC 1507711749 YYUWTCKUZDGALI-MSOLQXFVSA-N 451.568 2.098 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@H]1CCCN(C(C)=O)C1 1507711780 ZLNKGCOPRYUXET-DENIHFKCSA-N 453.543 2.135 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)s3)n2CC[C@@H]2COCCO2)CC1 1507720973 OJYUXVOPWXPMCG-OAHLLOKOSA-N 466.405 2.330 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2Cc2cccc(C(=O)NCC)c2)CC1 1507740079 NYFGDMYVSARSBT-UHFFFAOYSA-N 485.592 2.028 30 10 JEEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1507750418 UTSCZHYLPHCUJZ-UHFFFAOYSA-N 451.556 2.181 30 10 JEEE C=C(Br)Cn1c(N2CCN(C(C)=O)C[C@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 1507794255 XNDTZZFVWFXJAU-DNVCBOLYSA-N 456.385 2.284 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1507803553 HSIVPCYOUQDQSL-UGKGYDQZSA-N 477.606 2.461 30 10 JEEE C=CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1507939330 MFQFXVFQPUYOPD-INIZCTEOSA-N 466.633 2.136 30 10 JEEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2c(F)cc(F)cc2C1 1507965861 WHGKXGDZQKUZEG-HXUWFJFHSA-N 497.568 2.045 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCc2c(ccnc2O)C1 1508129505 CQGXTCKYRRNGDA-UHFFFAOYSA-N 496.593 2.411 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CCc2cccc(C(=O)N(C)C)c2)C1 1508132855 ZYJCMULLPXFACB-NRFANRHFSA-N 466.586 2.126 30 10 JEEE C=C[C@@H]1OCCC[C@H]1NC(=O)C1CCN(S(=O)(=O)c2ccc(C(=O)OCC)cc2)CC1 1526236101 RERQJTWHBNCFLZ-UXHICEINSA-N 450.557 2.114 30 10 JEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c1 1526853869 SPHUZRVXSMZSPS-SFHVURJKSA-N 454.548 2.067 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H](C)CN1CCCC1 1538983834 YDNJLBWAWMGDJS-OALUTQOASA-N 458.632 2.385 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CCCN1CCOC1=O)[C@@H]1CCS(=O)(=O)C1 1539213029 UFRZKMXXTXMKRC-GOSISDBHSA-N 477.974 2.068 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CCN1CCCS1(=O)=O 1539306137 DCZORZYRAULFIG-UHFFFAOYSA-N 485.610 2.239 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCN2CCOC[C@@H]2C)CC1 1539436424 RNYCZPYFCZAQNC-SFHVURJKSA-N 458.994 2.083 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CC(=O)NCC(F)(F)F)CC1 1539469298 REVPDKGVZHXFEI-IBGZPJMESA-N 490.530 2.464 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@H](CC)NC(=O)OC(C)(C)C)CC1 1539490501 WPTBCXYXRNLWIS-RBUKOAKNSA-N 474.606 2.399 30 10 JEEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1539512738 HBUGWYGMUBTBAL-UHFFFAOYSA-N 452.544 2.280 30 10 JEEE C=CCN(CCc1ccco1)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCS(=O)(=O)C1 1540182738 XPDYLSHZWKGBOV-QGZVFWFLSA-N 470.555 2.188 30 10 JEEE C=CCNC(=O)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCN(C(=O)N(CC)CC)CC1 1540874089 UWZFMTVGDLQPFR-UHFFFAOYSA-N 478.601 2.236 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2ccc3[nH]ccc3c2)C1 1540884862 WJSYWRUBMIPGFG-APWZRJJASA-N 458.588 2.394 30 10 JEEE CC(C)(C)[S@@](=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1541235983 HQHOLFYCULGGHH-GTJUCTONSA-N 493.655 2.289 30 10 JEEE CCCNC(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1547237276 FUPXEKIGSLDMCS-UHFFFAOYSA-N 474.569 2.463 30 10 JEEE CCN(CC)C(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2[C@@H]2C[C@@H]2C)CC1 1547416834 BRHWUXBKZVIMFM-GHTZIAJQSA-N 451.575 2.300 30 10 JEEE N#Cc1ccc(N2CCN(S(=O)(=O)c3ccccc3F)C[C@H]2C(N)=O)cc1C(F)(F)F 1548367504 GODWDQIVLSZDJY-INIZCTEOSA-N 456.421 2.081 30 10 JEEE C#CCN(C(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1)[C@H]1CCS(=O)(=O)C1 1563740745 YNUQDFGHOZAXQE-QAPCUYQASA-N 454.390 2.107 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2CCCN2C[C@H](C)O[C@H](C)C2)c1 1587693329 RHCCQJQTUYIMLB-VWPQPMDRSA-N 480.613 2.338 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CCC1(O)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1588040004 HHQDRCKGJBYYQN-LJQANCHMSA-N 479.002 2.157 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1CCNC(=O)Cc1cccc(F)c1 1588154931 HZVCBGQSRBNNMM-UHFFFAOYSA-N 450.543 2.205 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@](C)(O)c2ccccc2Cl)CC1 1588876907 NJVWIFSVSMMZFL-VWLOTQADSA-N 499.015 2.041 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](c1cccc(OC)c1)N(C)C 1589150638 IDPMTYJEODPAER-HCLVMJGWSA-N 474.631 2.192 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2F)n1C[C@H]1CCN(S(C)(=O)=O)C1 1589250687 AVOBHRABCLQQBY-HTAPYJJXSA-N 461.563 2.270 30 10 JEEE C=C(Cl)Cn1c(C(C)C)nnc1N1C[C@@H]2[C@H](C1)[C@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1593808083 OAFKIVKRTCNNMI-RBSFLKMASA-N 460.000 2.281 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CCCC1 1595116689 UNPQDXCBGYANKE-HXUWFJFHSA-N 475.615 2.109 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccncc2)n1CC(=O)N1CCOCC1 1595134237 WNCGTSGEKBVAIT-UHFFFAOYSA-N 450.518 2.454 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CC(=O)N(C)[C@@H](C)C1 1595576985 FEOKWCNEAHVKEF-SFHVURJKSA-N 454.575 2.258 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CC[C@H](CN2CCCCC2)C1 1595798925 VNGKQAQSDGVNQE-WOJBJXKFSA-N 451.637 2.085 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCCN(Cc2noc(C)n2)CC1 1595805490 PQVRDZGULQCMAL-UHFFFAOYSA-N 499.641 2.182 30 10 JEEE C=CCSCCn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1595878514 PIEZSHYKKBWIFL-GOSISDBHSA-N 450.609 2.013 30 10 JEEE CCS(=O)(=O)NCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@@](F)(C#N)C1 1617383246 GADYNAORYORUMP-LAUBAEHRSA-N 464.567 2.416 30 10 JEEE CC(C)(C)OC(=O)N1CC(NC(=O)c2cccc(COc3ccccc3C#N)c2)(C(N)=O)C1 1632933535 FDVNMVMBKPPSAR-UHFFFAOYSA-N 450.495 2.342 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](N2CCN(S(=O)(=O)Cc3cc(C#N)ccc3F)CC2)C1 1655554158 FRXNFBXCAJIWEL-GOSISDBHSA-N 452.552 2.154 30 10 JEEE N#Cc1cc(F)c(S(=O)(=O)N2CCn3c(nnc3C(F)(F)F)C2)cc1Br 1662273167 HGFFDJFEWJREDA-UHFFFAOYSA-N 454.203 2.275 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1Cc1ccc(OC)c(OC)c1OC)[C@@H]1CCS(=O)(=O)C1 1689980042 KSBIHVRKTAOZNE-SJLPKXTDSA-N 476.599 2.492 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ccccc1OC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1689987991 HHNLQMDBMSBCAW-INIZCTEOSA-N 492.483 2.309 30 10 JEEE C#CCN(c1nnc(CC)n1Cc1ccc(N2CCCCCC2)nc1)[C@@H]1CCS(=O)(=O)C1 1689992605 MSFBCRDTHWLGHU-HXUWFJFHSA-N 456.616 2.291 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(Br)cc3)n2Cc2nncn2CC)CC1 1690132033 FALUTSYCHANADH-UHFFFAOYSA-N 485.390 2.035 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H](Cc2ccccc2)OC)CC1 1690132201 KYJBSKSZOVGZJR-OAQYLSRUSA-N 478.622 2.283 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H](CC)N2CCCC2)CC1 1690137541 CDYXSSMATKBWMI-NVQXNPDNSA-N 486.661 2.159 30 10 JEEE C=CCCCCn1c(-c2ccc(CC)cc2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1690455204 DXQWZOBSKWYVBR-UHFFFAOYSA-N 480.613 2.371 30 10 JEEE C=CCCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(S(C)(=O)=O)CC1 1690460928 QYLNEMZJFXEKLH-UHFFFAOYSA-N 457.560 2.032 30 10 JEEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN([C@H](C)c2nccs2)CC1 1690497041 GAZQXCKBEBNMNR-GOSISDBHSA-N 459.620 2.447 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(OC)c(F)c2)C1 1690700762 XKTZRFUONSTVSX-IRXDYDNUSA-N 450.536 2.158 30 10 JEEE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)C(C)(C)C)C1 1690786076 DYVWWVYZBXJRIR-IBGZPJMESA-N 472.615 2.335 30 10 JEEE COc1cc2c(cc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(CC#N)CC1)O[C@@H](C)C2 1697314503 HNXNFLQZYMARMZ-JKSUJKDBSA-N 488.614 2.399 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCN(C)CC(F)(F)F 1705481987 QDBONASRRLYXAS-HNNXBMFYSA-N 472.537 2.147 30 10 JEEE C#CCN(CC#CC)c1nnc(COc2ccc(Br)cc2)n1CC(=O)NCC(F)F 1705601203 BDDSGBRGDFRWDQ-UHFFFAOYSA-N 480.313 2.464 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2CCCNC(C)=O)CC1 1705647771 LGCKHGDTHIKPHL-UHFFFAOYSA-N 475.553 2.092 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1705652227 SKTJBWWTCDABBD-HOIFWPIMSA-N 456.572 2.065 30 10 JEEE C#CCSCCn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1705660863 JMZJXJMJEFABMD-UHFFFAOYSA-N 468.627 2.118 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(F)cc1 1705700549 VJAWESCYSZMHLW-JBACZVJFSA-N 493.605 2.368 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1705700714 XNNVZMGGYGBWRD-FUDKSRODSA-N 474.650 2.144 30 10 JEEE C=C(Cl)Cn1c(N2CCN(c3c(C#N)c(C)nn3C)CC2)nnc1[C@]1(OC(C)C)CCOC1 1705760102 AFMMPSILKNXXEG-QFIPXVFZSA-N 474.997 2.311 30 10 JEEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C(=O)N(C)c2ccccc2)C1 1705811268 BSIPHRCWRKKLAB-QZTJIDSGSA-N 460.604 2.344 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1)C(C)C 1705869310 RGUXUPYPLFBKOI-KNKQGSTJSA-N 464.611 2.321 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCN(CC2CCCCC2)CC1 1705934217 FLSWUCREQUIMPZ-UHFFFAOYSA-N 459.620 2.038 30 10 JEEE C=CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1705940254 YZUNDSPEMRUPNR-SFHVURJKSA-N 458.588 2.018 30 10 JEEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(CC(C)(C)C)n1CC1CCS(=O)(=O)CC1 1708152561 FWKXIDFPOJASRS-QGZVFWFLSA-N 486.646 2.068 30 10 JEEE C#CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(CC(=O)NCC)CC1 1722307340 VHFAHESYSQUJNG-UHFFFAOYSA-N 465.602 2.209 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2CCC(=O)N[C@@H](C)CC)c1 1722309364 MWKWHDKCCDDBIE-KRWDZBQOSA-N 460.542 2.096 30 10 JEEE C#CCCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1722310884 QOXYDBHNQOSISL-KRWDZBQOSA-N 491.614 2.245 30 10 JEEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1722324990 BRWHVNPSSHZKID-VWLOTQADSA-N 496.568 2.199 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1722358734 FMXZVQAPQKWWAY-GOEBONIOSA-N 452.939 2.401 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@](C)(O)c1ccco1)[C@@H]1CCS(=O)(=O)C1 1722370866 FNCFAWGDOXGTOF-DVECYGJZSA-N 484.578 2.293 30 10 JEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCN(CC)C(C)C 1722376634 WFQILVIFHNXGDR-UHFFFAOYSA-N 455.632 2.350 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1c(C)nn(C)c1C 1722420800 JFUZDQOYWKRZJR-IBGZPJMESA-N 470.574 2.358 30 10 JEEE C#CCN1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CC(=C)Br)CC1 1722437841 JILDUPJUMKELGE-UHFFFAOYSA-N 454.332 2.258 30 10 JEEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCN(CCN2[C@@H](C)CC[C@@H]2C)CC1 1722535083 YQFCISOPISJTLN-SFTDATJTSA-N 454.623 2.323 30 10 JEEE C=CCC(C)(C)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1722590291 XRTFKYVFCYNTMS-KRWDZBQOSA-N 472.977 2.260 30 10 JEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCSCc1ccccc1 1722639562 APVBPMLDESOPKN-GOSISDBHSA-N 451.618 2.167 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1nccnc1C 1722658113 FLZFIWPALNATDU-JOCHJYFZSA-N 497.625 2.145 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@](C)(C#N)C1 1722699065 QUNRWJAGLOEEJO-SBUREZEXSA-N 473.578 2.019 30 10 JEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CC[C@H](C(=O)N(C)c2ccccc2)C1 1722700859 XHLJBUPPLSJDJS-SFHVURJKSA-N 479.610 2.425 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)Cc1ncc(Cl)n1C 1722703025 UXDDBFJERPWJBH-UHFFFAOYSA-N 454.922 2.054 30 10 JEEE C=CCNC(=O)Cn1c(N2CCO[C@@H](c3ccc(F)c(F)c3)C2)nnc1[C@]1(OC(C)C)CCOC1 1722704194 PZOZYJRGUKVWQE-YKSBVNFPSA-N 491.539 2.477 30 10 JEEE CC(C)Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCNS(=O)(=O)c1ccccc1 1723330254 HTSLYTKOWOVPKL-UHFFFAOYSA-N 494.625 2.048 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCc1nc2c(s1)CCCC2 1723932737 CCUBBDFSGTZMLX-JLTOFOAXSA-N 481.623 2.298 30 10 JEEE COCC[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(C(=O)C2CC2)CC1 1730624851 HOVXNAZKIHTIBG-XMMPIXPASA-N 452.559 2.053 30 10 JEEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1740578098 XQZKKQNGRIBRLN-CTNGQTDRSA-N 497.669 2.062 30 10 JEEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1740579301 MMTSOEHLFSMPFM-FIXSFTCYSA-N 486.661 2.329 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@H](C)CN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1740623959 BHDFGRVAZHXBBX-IFMALSPDSA-N 470.643 2.013 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(NC(=O)C2CCC2)c1 1740678956 WCDATLGXFQIEAL-UHFFFAOYSA-N 464.570 2.387 30 10 JEEE C#CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1C[C@H](C)O[C@H](COC)C1 1740715588 CJRFCIKIVMPPDV-HOTGVXAUSA-N 454.556 2.200 30 10 JEEE C#CCSCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(CCOC)C(=O)C1 1740715649 LHJSHDDZBLANEB-UHFFFAOYSA-N 452.584 2.098 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1CCCS(=O)(=O)Cc1ccccc1 1740729976 OZKKFJUSWQNWPQ-AUSIDOKSSA-N 455.584 2.226 30 10 JEEE C=C(Br)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1740735972 CRMDSXZMFCFDGV-MRXNPFEDSA-N 487.362 2.244 30 10 JEEE C=CCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCNC(=O)[C@H]1CC 1740879020 DAOMLBFEHQECQL-JOCHJYFZSA-N 451.619 2.324 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1740926266 UMMRMAZERNLTMV-IERDGZPVSA-N 450.536 2.285 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(CS(C)(=O)=O)cc2)C1 1740977734 XRSQCXGNIMXDIS-LJQANCHMSA-N 454.556 2.109 30 10 JEEE CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@@H](c1ccc(F)cc1)N(C)C 1747186603 ASOPLAGPWLABKT-QFIPXVFZSA-N 495.607 2.497 30 10 JEEE CN(CCN1CCOC(C)(C)C1)c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CCC1 1747968566 BFRHCGRBLSAGPI-UHFFFAOYSA-N 454.575 2.191 30 10 JEEE CNC(=O)CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1748269276 GZNTVSCMLZEGKO-IAGOWNOFSA-N 493.547 2.070 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CCC3)n2CCN/C(O)=C2\N=CC=CC2=O)c1 1748693173 ZTZDUTWEECYPAC-ZNTNEXAZSA-N 473.537 2.128 30 10 JEEE C#CCN(c1nnc(-c2nnc(O)c3ccccc23)n1C/C=C/CC)[C@H]1CCS(=O)(=O)C1 1748814812 JFXCHYBWUMSGDZ-WHWKNOJMSA-N 452.540 2.187 30 10 JEEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1CCCn1cc(Br)cn1 1748830598 YYKCJSLCEZDMTH-FQEVSTJZSA-N 461.364 2.052 30 10 JEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@](C)(O)c1ccsc1 1748845939 CEWQUJQIKRDQHJ-XMMPIXPASA-N 461.595 2.494 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1748906394 DXXWQLNJHAGQPT-CZYKHXBRSA-N 457.619 2.353 30 10 JEEE C#CCN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H]1CC(=O)N(CCOC)C1 1748926900 XYRQGGXZOJTRGN-IBGZPJMESA-N 488.633 2.347 30 10 JEEE C#CCSCCn1c(CC2CC2)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1749043203 BEJHBJUQLXYUKM-UHFFFAOYSA-N 459.641 2.249 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCCN1CCCO 1749056876 WMTYTOVXRUZEQE-GBXCKJPGSA-N 471.627 2.188 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@H](C)O[C@H](C2CC2)C1 1749653228 ZBIZJHWDHLCFKP-GUYCJALGSA-N 463.380 2.352 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CCC(NC(C)=O)CC1 1749655699 PPISWRKSZUVKTN-UHFFFAOYSA-N 491.390 2.123 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCSc2ccccc2)C1 1749713186 PPQCIYOKKCEYGW-QUCCMNQESA-N 493.655 2.185 30 10 JEEE CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)CN2CCCCC2)CCO1 1750013383 FWFBYSQSUXRTRF-CVDCTZTESA-N 465.602 2.280 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CCOCCS(C)(=O)=O 1760105437 PBKYYPCJGAKAMS-AWEZNQCLSA-N 485.404 2.235 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2CCC2(C)CC2)c1 1760126320 UYMAOMXPPCDXFS-MRXNPFEDSA-N 458.588 2.135 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1ccc(F)c(COC)c1)[C@H]1CCS(=O)(=O)C1 1760188246 NYOPHWNUVYXPOK-PZJWPPBQSA-N 476.574 2.480 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1cccnc1OCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1760192791 NTIKUTNSSWPSAJ-IAGOWNOFSA-N 499.515 2.141 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2CC2(O)CC2)CC1 1760265534 DFTQFVAFAFZWNR-SFHVURJKSA-N 467.570 2.308 30 10 JEEE C=C(Br)Cn1c(CC2CCCC2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1760311576 SWKMLKHARMUHTR-UHFFFAOYSA-N 451.369 2.440 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](C(=O)NCCCC)C1 1760336289 WXEMTXNXHGVTIE-XCJLJZCSSA-N 458.607 2.343 30 10 JEEE C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(Cc2cnn(C)c2)CC1)c1ccccc1 1760362187 CTSAAGAHZLFJNB-FQEVSTJZSA-N 498.657 2.048 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCC(c2cnn(CC)c2)CC1 1760556786 PYHOKDGARWTBOS-UHFFFAOYSA-N 469.615 2.465 30 10 JEEE Cc1nn(C)c(N2CCN(c3nnc(C(=O)NC(C)C)n3CCc3cccc(F)c3)CC2)c1C#N 1762399749 ARUAIMCSKSRRSK-UHFFFAOYSA-N 479.564 2.038 30 10 JEEE C[C@H]1OCC[C@@]12CN(c1nnc(-c3cccc(C#N)c3)n1CCS(=O)(=O)C(C)(C)C)CCO2 1763278992 HMZHHUKYUPARDO-UZUQRXQVSA-N 473.599 2.414 30 10 JEEE CN(C(=O)OC(C)(C)C)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ncn(C)n2)C1 1768420285 GIURSMXOYTXEJD-GOSISDBHSA-N 463.546 2.439 30 10 JEEE COc1cc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2CCN2CCOCC2)ccc1O 1862755417 BBJJIBITEKHMAT-OAQYLSRUSA-N 483.477 2.220 30 10 JEEE COc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N(CCN3CCOCC3)C2=O)cc1OC 1863164806 DDGTYGQSCFMAJO-UHFFFAOYSA-N 462.506 2.100 30 10 JEEE C=CCOc1ccccc1[C@H]1C(C(=O)N(CCN)C(C)=O)=C(N)Oc2c1c(C(F)(F)F)nn2C 1865225670 IZSAWJGWPDTQIA-OAHLLOKOSA-N 479.459 2.032 30 10 JEEE CCOc1cc(N2CCOCC2)c(OCC)c2c(=O)cc(C(=O)N(CCC#N)CCC#N)[nH]c12 1866533078 IFUBAVDGBFKEDZ-UHFFFAOYSA-N 467.526 2.432 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCc2ccco2)cn1CCCN1CCCC1=O 1870540250 SKZUWWJBAKMMOP-UHFFFAOYSA-N 482.581 2.323 30 10 JEEE CCCOC(=O)CSc1nnc(C)n1/N=C/c1ccc(OCCN2CCOCC2)c(OC)c1 1874533849 DZYLHSSBVLRGJH-HZHRSRAPSA-N 477.587 2.234 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](Oc2c(I)cc(C#N)cc2[N+](=O)[O-])C1 2090215047 APJYIMWMYWVAIU-CHWSQXEVSA-N 475.239 2.430 30 10 JEEE COCC[C@@H](CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1)NC(=O)OC(C)(C)C 2255639581 PSVLIFIASWGMQA-ZDUSSCGKSA-N 455.386 2.102 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)CCO1 2255808365 IOWPCUCWGLSRKJ-AWEZNQCLSA-N 452.382 2.413 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H]1NS(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2255950011 FODPSXDDVMWSKY-HOTGVXAUSA-N 452.382 2.320 30 10 JEEE C[C@H]1C[C@H](CC(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)CN1C(=O)OC(C)(C)C 2257829535 ANSRNOTZRABZNC-QWHCGFSZSA-N 452.386 2.233 30 10 JEEE CC(C)(C)OC(=O)N[C@]1(CO)CCCN(c2nccc(B3OC(C)(C)C(C)(C)O3)c2F)C1 2266072471 NGUUMVHMKHZREH-JOCHJYFZSA-N 451.348 2.376 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NC[C@@]23CN(C(=O)OC(C)(C)C)C[C@@H]2CCO3)C1 2266521163 AMHGYUWDFFVGRF-QQLFDNLWSA-N 463.575 2.435 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)[C@H]2COC[C@@H]12 2267137652 OMRDDDZLVYCLBT-XHSDSOJGSA-N 464.393 2.411 30 10 JEEE CC(C)[C@H](CCNC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2267186606 LYKHITOMIWSPRA-INIZCTEOSA-N 450.389 2.389 30 10 JEEE C[C@H]1CC[C@H](CNC(=O)C(F)(F)F)N(C(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2267489189 VOUGZAUAGSGASJ-NWDGAFQWSA-N 461.315 2.362 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(C)CC1CN(C(=O)OCc2ccccc2)C1 2267524320 OFAHGPHDABFRIP-UHFFFAOYSA-N 482.390 2.368 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](NS(=O)(=O)Cc2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267708219 GICZYQMXJWMOBQ-SFHVURJKSA-N 466.409 2.415 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]1CNS(=O)(=O)Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2267709253 YLORIXGUZZGBMG-AEFFLSMTSA-N 466.409 2.318 30 10 JEEE CC(C)(C)OC(=O)N[C@]1(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C[C@H]2CC[C@H]1C2 2268778668 SIHYTTDGBQFOLG-OYMPBJRDSA-N 464.397 2.281 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NCC(F)(F)C2(O)CN(C(=O)OC(C)(C)C)C2)C1 2272888763 JTJRCFKRVSMAHC-UHFFFAOYSA-N 473.517 2.026 30 10 JEEE Cc1cc(C(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)ccc1B1OC(C)(C)C(C)(C)O1 2282114292 YWHFODBOOAMROG-HKUYNNGSSA-N 460.380 2.252 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1C[C@@H](O)C[C@H](NC(=O)OC(C)(C)C)C1 2282120493 HWEGFKAKXBFXKJ-ROUUACIJSA-N 460.380 2.394 30 10 JEEE CN(C[C@@H]1COCCN1C(=O)OC(C)(C)C)C(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2282175462 WWLMGGIXYMXQOG-MRXNPFEDSA-N 461.368 2.089 30 10 JEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCC[C@H](CNC(=O)C(F)(F)F)C1 2282304608 MSMCLHVLHWLEGV-CYBMUJFWSA-N 496.382 2.435 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(=O)O)N(C(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2282521226 WMHUOMRUZLEBOV-STQMWFEESA-N 481.380 2.025 30 10 JEEE Cn1cc(C(=O)N2C[C@H]3CCC[C@]3(NC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2282546145 YTSMPUQWYMBYPY-CMJOXMDJSA-N 460.384 2.239 30 10 JEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC2(C(=O)O)CN(C(=O)OC(C)(C)C)C2)c1C 2282571736 VJFXISPRMHKHMR-UHFFFAOYSA-N 480.392 2.468 30 10 JEEE Cn1cc(C(=O)N[C@]23CCCN(C(=O)OC(C)(C)C)C[C@@H]2C3)c(B2OC(C)(C)C(C)(C)O2)n1 2282577329 CVFSRTREKVRATE-WNSKOXEYSA-N 460.384 2.239 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC2(C3CN(C(=O)OC(C)(C)C)C3)CC2)n1 2282590502 BXMQMAAQTJBQGR-UHFFFAOYSA-N 460.384 2.332 30 10 JEEE Cn1cc(C(=O)N[C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]32)c(B2OC(C)(C)C(C)(C)O2)n1 2282591679 SSKXBGWKKQNSBN-SFHLNBCPSA-N 450.392 2.360 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@H](CO)[C@@H](NC(=O)OC(C)(C)C)C1 2282595713 XXNNXLIUIWGEDF-CABCVRRESA-N 481.424 2.098 30 10 JEEE Cn1nc(C(=O)N2CC[C@@H](CNC(=O)OC(C)(C)C)C2(C)C)cc1B1OC(C)(C)C(C)(C)O1 2282620285 CTKNXMFOKUPWJJ-HNNXBMFYSA-N 462.400 2.485 30 10 JEEE COCC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2282644992 GWWQRHGJAUUIIB-QGZVFWFLSA-N 463.384 2.412 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)[C@H](CO)C1 2282653053 BVRQHFRIZMOSSP-QFBILLFUSA-N 460.380 2.334 30 10 JEEE CON(C1CN(C(=O)OC(C)(C)C)C1)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(C)c1 2282831374 JJHLGDLZGLYCAU-UHFFFAOYSA-N 482.408 2.466 30 10 JEEE CC(C)(C)OC(=O)NC1[C@@H]2CN(S(=O)(=O)c3ccc(F)c(B4OC(C)(C)C(C)(C)O4)c3)C[C@@H]12 2282886814 AIISKBCEQAZMNG-HUUCEWRRSA-N 482.383 2.269 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(F)c(B3OC(C)(C)C(C)(C)O3)cc2Cl)C1 2282984259 QKVVOPUCMFCVDB-IAGOWNOFSA-N 484.761 2.488 30 10 JEEE CC(C)(C)OC(=O)N1CCC(O)(CC(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)CC1 2283977330 OCRRQHHYPNGTEQ-UHFFFAOYSA-N 481.424 2.211 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1S(=O)(=O)N[C@@H](COCc1ccccc1)C(=O)O 2284395236 JGQBZIVJFRXVHP-IBGZPJMESA-N 475.372 2.243 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N(CCNC(=O)OC(C)(C)C)C[C@@H](C)O 2285347378 LDDGMSFTGLRPLF-MRXNPFEDSA-N 465.400 2.155 30 10 JEEE CC(C)(C)OC(=O)NCc1nc(CNC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)cs1 2286748533 QQOYHDBPJQHVEZ-UHFFFAOYSA-N 475.380 2.187 30 10 JEEE CCOc1ccc(C=CC(=O)[C@H]2C[C@H](NC(=O)CN3C(=O)c4ccccc4C3=O)CCN2)cc1OC 2328071872 CRPRBIYMTGIVLO-WIYYLYMNSA-N 491.544 2.209 30 10 JEEE COCCc1nnc(SCC(=O)NCc2ccccc2)n1N=Cc1ccc(C(=O)O)cc1 2331310842 ODFXHTOJLIULMR-UHFFFAOYSA-N 453.524 2.456 30 10 JEEE C[C@H](NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 2362462087 SBEHHLRVNGSYCL-HOTGVXAUSA-N 462.400 2.485 30 10 JEEE C=CCNC(=O)/C(C#N)=c1\s/c(=C\c2ccc(OC(F)F)cc2)c(=O)n1-c1ccccc1 3312750 FGJQWAAMBVBZBH-VXDZIFLWSA-N 453.470 2.306 30 10 JEEE Cc1ccsc1/C=c1\s/c(=C(/C#N)C(=O)N2CCOCC2)n(-c2ccc(Cl)cc2)c1=O 15981870 KQFSDVXLRZHFES-XBUIZVGASA-N 471.991 2.284 30 10 JEEE N#Cc1cccnc1N1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(Br)cc3)C2)CC1 247664515 VORYGTMVPAFMBU-INIZCTEOSA-N 454.328 2.417 30 10 JEEE O=C(CSc1nnc(N/N=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)[nH]1)NCc1ccccc1 253560435 AUKIXBCDQBZCRI-KEBDBYFISA-N 456.444 2.476 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)C[S@@](=O)CC(=O)Nc3cccc(C(C)=O)c3)cc21 586345039 ASTDYGBVVFXSKQ-JGCGQSQUSA-N 454.504 2.371 30 10 JEEE CNS(=O)(=O)c1ccccc1N1CCN(C(=O)c2cc(C3CC3)nc(SC)c2C#N)CC1 609026221 SJSYDGOUPWPTKN-UHFFFAOYSA-N 471.608 2.423 30 10 JEEE C#CCN(C(=O)c1ccc2c(c1)C(=O)N(c1cc(C)ccc1C)C2=O)[C@H]1CCS(=O)(=O)C1 729332371 OFOCNZJSRBSYMJ-SFHVURJKSA-N 450.516 2.367 30 10 JEEE COC(=O)c1ccc(C=NNc2nnc(SCC(=O)c3ccc(OC)c(OC)c3)n2N)cc1 1084167773 XKQYWWBGDJEJGG-UHFFFAOYSA-N 470.511 2.217 30 10 JEEE COC(=O)c1ccccc1NC(=O)CSc1n[nH]c(NN=Cc2ccc(OC)c(O)c2)n1 1084497738 GLLAVERKJDXKGF-UHFFFAOYSA-N 456.484 2.482 30 10 JEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](CCO)c2ccccc2Br)c1 1138164055 XWWBOUZYEPVJAD-SFHVURJKSA-N 451.342 2.214 30 10 JEEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC[S@@](=O)C(C)(C)C 1286379436 RPCPOIFCCQCWNE-JGCGQSQUSA-N 456.660 2.259 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1286382523 JJODBWXIAPSCJJ-AWEZNQCLSA-N 458.462 2.151 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1c(C)nn(-c2ccccc2)c1C 1286409803 OYJCDFCETJCQMW-HXUWFJFHSA-N 462.579 2.104 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCOc1ncccc1Cl 1286462069 CTGIASBQQWXOQN-UHFFFAOYSA-N 493.955 2.405 30 10 JEEE C#CCN(CCOC)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCCn2cc(C)nc21 1286469707 XFEVZQYCEAGHKR-SFHVURJKSA-N 467.599 2.438 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2ccccc2OC(F)F)CC1 1286470912 FJFYPBGXFZYKDQ-UHFFFAOYSA-N 458.513 2.113 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2cn(C)nc2-c2ccccc2)CC1 1286471864 ONCRWUMPBBCTQL-HXUWFJFHSA-N 463.586 2.206 30 10 JEEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)c1ccc(F)cc1 1286508933 LFDOAEKPYLIZEG-LPHOPBHVSA-N 481.619 2.314 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccncc2)n1CCc1ccc(S(N)(=O)=O)cc1 1286524023 CMCIDKISBRATIU-HSZRJFAPSA-N 450.568 2.146 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1286562937 BNPUQNDBINGMIJ-HYBUGGRVSA-N 474.650 2.367 30 10 JEEE C=C(Cl)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1286621274 FIEDFKGEVUYOGW-UHFFFAOYSA-N 483.375 2.471 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cnn(C)c2)n1C[C@H]1CCS(=O)(=O)C1 1286740784 WTZHULCNSJXWPV-GOSISDBHSA-N 456.572 2.315 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H](C)SC)[C@@H]1CCS(=O)(=O)C1 1300503034 ADAHHHHEMDOBAJ-SJLPKXTDSA-N 459.597 2.107 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(=O)N1CCCCC1 1300538375 PHLUEWNEFOYTDA-FQEVSTJZSA-N 484.601 2.062 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccc(F)cc2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1300547790 CZZHEVCZQOTJCH-LJQANCHMSA-N 465.451 2.332 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(c2ccccc2OC)CC1 1300671056 AWZWHWIYYBFPMH-SFHVURJKSA-N 458.584 2.007 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1Cc1cccc(CN2CCO[C@H](C)C2)c1 1300671721 NMEOUQVUYHHXGM-OFNKIYASSA-N 453.587 2.137 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCC2(CCCCC2)O1 1300672391 ZWXLRAHTGASJPH-RBUKOAKNSA-N 450.605 2.148 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(C)c(OC)c2)CC1 1300708577 VISKYJJECDXRNY-UHFFFAOYSA-N 464.595 2.390 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1300870993 AUBBLSDSUPUQOJ-TYPHKJRUSA-N 482.585 2.080 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCN(C(C)C)C1 1300915653 PPEUMTPTGBWPPU-WOJBJXKFSA-N 468.668 2.134 30 10 JEEE C=C(C)COCCn1c(N2CC(C)(C)O[C@]3(CCOC3)C2)nnc1[C@@]1(OCC)CCOC1 1301002077 SXRCQIXYNWAZLF-DHIUTWEWSA-N 450.580 2.297 30 10 JEEE C=C(Cl)Cn1c(-c2noc3c2COCC3)nnc1N1CCC(C(=O)NCCCOC)CC1 1301036282 BSJHOFYWLQVYIO-UHFFFAOYSA-N 464.954 2.127 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1301485665 ZWIYDLAFNYHRSA-HUUCEWRRSA-N 462.304 2.124 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1301540057 ZFTFKCXQNRGNIP-DKZVUGQWSA-N 497.017 2.402 30 10 JEEE C#CCN(Cc1ccc(F)cc1)[C@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 1307444846 KYLVNOLEDNAXCK-HXUWFJFHSA-N 457.571 2.491 30 10 JEEE C#CCO[C@H](C)C(=O)NCCN1C(=O)S/C(=C\c2ccc(OC(F)F)c(OC)c2)C1=O 1348582038 FYBKHEDOEQEMLA-COOUDCDJSA-N 454.451 2.487 30 10 JEEE C=CCN(Cc1cc(Br)ccc1F)C(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 1358208992 WDDDIQQIGFCZRN-JOCBIADPSA-N 451.292 2.265 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CCCN1C[C@H](C)C[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1358965579 XJXZBWVSWIRGTG-XPNTWCBSSA-N 484.670 2.259 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@@H]1CCC[C@@H](O)C1)[C@H]1CCS(=O)(=O)C1 1358968017 XRFAKTAMUVGXEK-QHAWAJNXSA-N 472.611 2.343 30 10 JEEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC(C)(C)N1CCC(OC)CC1 1358970280 KNFWHLMBHGBGHD-VWLOTQADSA-N 457.619 2.281 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cccc(C)c2)CC1 1359039982 DCKPPWUBGZNRLJ-UHFFFAOYSA-N 457.538 2.248 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H](C)OC)CC1 1359040137 JPYUWPDBBQAJCK-GOSISDBHSA-N 452.559 2.148 30 10 JEEE C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 1359117386 XPFGXXCXZBPDSI-PMACEKPBSA-N 480.617 2.318 30 10 JEEE C=C(C)Cn1c(N2CCN(CC(=O)N3C[C@H](C)C[C@@H](C)C3)CC2)nnc1[C@@]1(OCC)CCOC1 1359125202 SRLHRAIGJBWBBJ-DNRQZRRGSA-N 474.650 2.133 30 10 JEEE C=C1CCN(c2nnc(-c3cc(OC)ccc3Br)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1359161273 XDQATBFOMVVOMA-HXUWFJFHSA-N 497.415 2.422 30 10 JEEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCN(C)C(C)(C)C1 1359241602 WGZYDFQNQFZUTI-LJQANCHMSA-N 477.654 2.235 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1359304987 PSDAEOVRYVXTKW-SFHVURJKSA-N 458.538 2.039 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@]3(CCO[C@@H]3C)C2)cc1 1359306849 SETHWSFHRFMAOE-HOYKHHGWSA-N 455.559 2.414 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H]1c1nncn1C 1359327973 POZIYWVXKBYVJP-HNNXBMFYSA-N 495.407 2.107 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCC(C(=O)N2CCCC2)CC1 1359334428 FIWOSJOZFGJCIW-UHFFFAOYSA-N 463.648 2.450 30 10 JEEE N#Cc1ccc(OCc2nnc(N3CC[C@H](C4CCOCC4)C3)n2CC(=O)NCC(F)F)cc1 1505317639 APFVENFLASLEOE-SFHVURJKSA-N 474.512 2.363 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OCc2ccccn2)cc1 1507518705 WNDOOSHTOZSIMQ-QZTJIDSGSA-N 468.583 2.369 30 10 JEEE C#CCCCCn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1507564849 YBTMVQXGOOQGJS-IBGZPJMESA-N 455.563 2.033 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H](CC)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1507629525 NDYVDRNOPAFTBM-ZWKOTPCHSA-N 488.614 2.270 30 10 JEEE C#CCN(c1nnc(COc2ccc(Cl)cc2Cl)n1CC1(O)CC1)[C@H]1CCS(=O)(=O)C1 1507640427 SIBLCHPWAPNZBE-HNNXBMFYSA-N 485.393 2.316 30 10 JEEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCc2nn(C)c(=O)cc2C1 1507745370 XYAOHAMEEFULGD-UHFFFAOYSA-N 474.388 2.059 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccn2)n1CCNS(=O)(=O)c1ccccc1 1507773409 FEDFMGYFOHYHCU-HSZRJFAPSA-N 450.568 2.235 30 10 JEEE C=C(C)COCCn1c(N2CC[C@@](C)(C(N)=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1507848203 HSQBPCYEYUXRLX-SAHWJRBASA-N 462.595 2.343 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](SC)C(C)(C)C)C1 1508122543 FQMAQJGGCYHKIL-SQNIBIBYSA-N 487.692 2.170 30 10 JEEE CC(=O)N1CCCN([C@@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3C[C@@H](C)N(C)C)C[C@H]2C)CC1 1508234272 UWQNEPLOLAGFTK-YOSAUDMPSA-N 478.645 2.146 30 10 JEEE CC(C)NC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1509757791 GRLYIODYKQDVDD-MRXNPFEDSA-N 479.976 2.500 30 10 JEEE C[C@H]1CN(CCN(C)c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCSC2)C[C@@H](C)O1 1520825004 DKDZIUYSIKQWAQ-IEGUWTFLSA-N 456.616 2.230 30 10 JEEE C#CCCCn1c(Cc2c(F)cccc2F)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1539124019 IYWGYGZSBAJRNZ-HXUWFJFHSA-N 456.497 2.327 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCC[C@@H]1OC)[C@H]1CCS(=O)(=O)C1 1539212098 RGVNADCOOQTMKN-ACRUOGEOSA-N 453.568 2.259 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@@H](C)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1539220178 QEMBEPIVOGNTAO-WIYYLYMNSA-N 461.607 2.365 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc([C@H](C)O)cc2)CC1 1539470203 ZEZQHHKVEFEAAP-DCFHFQCYSA-N 495.624 2.386 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2CC2([S@@](C)=O)CCC2)CC1 1539476336 WBSMBWYNPHJHHF-JGCGQSQUSA-N 457.575 2.351 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccncc2Cl)CC1 1539489038 FSWOYGWMWVFBNA-ICSRJNTNSA-N 472.977 2.065 30 10 JEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 1540004497 ADFMFFCFWUISNB-QFBILLFUSA-N 495.568 2.107 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2[nH]c(C)c(C)c2c1 1540072442 LMJSWWZGKKQLJG-FQEVSTJZSA-N 458.588 2.380 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCSC(F)(F)F 1540170296 MQGXFYZYRXFLCO-ZDUSSCGKSA-N 455.528 2.042 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(c2nc(C)cc(OCC)n2)CC1 1540865268 ZYKLQLUOLMQFKC-UHFFFAOYSA-N 492.584 2.080 30 10 JEEE CC(C)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CC2)CCO1 1541401572 DGTRTGJOKJNNAN-IBGZPJMESA-N 459.572 2.167 30 10 JEEE CC(C)[C@@H]1OCCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCC#N)CC1CC1 1541408807 HIKCBFDXFKCEDT-NJYVYQBISA-N 494.662 2.192 30 10 JEEE C[C@@H](CN(C)c1nnc(-c2ccc(C#N)cc2)n1CC1(O)CCS(=O)(=O)CC1)c1nccs1 1541827953 FPBLEDYKAXYJHI-INIZCTEOSA-N 486.623 2.453 30 10 JEEE C=CCn1c(SCC(=O)Nc2ccc(C)c(S(=O)(=O)NC)c2)nnc1-c1ccccn1 1559383167 LMXULECTDBUBBG-UHFFFAOYSA-N 458.569 2.473 30 10 JEEE C#CCN1CCN(C(=O)CN[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2c2ccc(OC)cc2)CC1 1559986810 FTJOGLPFPZSLFR-GOTSBHOMSA-N 470.614 2.155 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCOC[C@@H]2CC(=O)c2cccs2)s1 1587503298 WZWMTGWVDYUGCV-AWEZNQCLSA-N 454.595 2.317 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1CCS(=O)(=O)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1588030234 RILKBOPIJOYWRH-UYAOXDASSA-N 478.640 2.033 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@H]1CCCN(CC(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1588045197 HBMQDLHQVVQTSR-LEWJYISDSA-N 472.659 2.278 30 10 JEEE C#CCN(CC#CC)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(N2CCOCC2)CCSC1 1588251841 YIFXKAUNAJQAPO-SANMLTNESA-N 490.633 2.400 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC=CO1 1588550109 IEXKSJJRBRDRGZ-NHCUHLMSSA-N 489.573 2.083 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2ccc(C=C)cc2)CC1 1588884651 ILGZVBUEBWOJRL-UHFFFAOYSA-N 460.582 2.366 30 10 JEEE C=C(C)COCCn1c(Cc2ccsc2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1593757612 KBPUDRPMJARFTI-IBGZPJMESA-N 458.588 2.290 30 10 JEEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(F)(F)CNC(=O)OC(C)(C)C)CC1 1594097060 LNEJSJZQXKTMFK-HNNXBMFYSA-N 475.562 2.497 30 10 JEEE C=CCOc1ccc(Cn2c(-c3ccccn3)nnc2N2CCN(C(=O)C(=O)NC(C)C)CC2)cc1 1595608323 QSNGKLLETOCOOW-UHFFFAOYSA-N 489.580 2.126 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(CSc3ccccc3OC)n2CC(=O)N2CCOCC2)C1 1595754833 QLWKXIKJOFWWEB-SFHVURJKSA-N 473.599 2.219 30 10 JEEE CC(=O)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)N1CCN(c2snc(C)c2C#N)CC1 1595958276 GUBLWMZOMOIJTD-HXUWFJFHSA-N 454.531 2.340 30 10 JEEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)N1CCC(CC(=O)N2CCC(N(C)C)CC2)CC1 1629757757 FCNXUEBNDPIKLT-UHFFFAOYSA-N 455.603 2.390 30 10 JEEE C=C[C@H](CO)NC(=O)c1cccc(S(=O)(=O)N(C)c2cc(Cl)c(OC)cc2OC)c1 1630164681 PSQYAAPIHPHYMA-CQSZACIVSA-N 454.932 2.459 30 10 JEEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)c1cnn(CC(F)(F)F)c1 1664188965 IMZCVXBLHUDTTM-UHFFFAOYSA-N 450.483 2.469 30 10 JEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C)N(Cc2ccccc2)CC1 1689912807 AZTVUFHOMVENDN-WOJBJXKFSA-N 458.632 2.403 30 10 JEEE C#CCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1689933149 BPLMUKFLYFFQFQ-SFHVURJKSA-N 452.950 2.468 30 10 JEEE C#CCN(c1nnc(-c2cccc(Br)c2)n1C[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1689981826 BXEJNVGXZXNWOX-YJBOKZPZSA-N 479.400 2.371 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(OC)ccc2Br)n1Cc1nnc2n1CCC2 1690006030 HLLDNANRNZHFNM-UHFFFAOYSA-N 466.343 2.375 30 10 JEEE C#CCN1CCN(c2nnc(-c3noc4c3COCC4)n2C[C@H](C)CN(C)C(=O)OC(C)(C)C)CC1 1690122209 KLWBPBRZFNRFTO-GOSISDBHSA-N 499.616 2.264 30 10 JEEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1690186217 MZGZYFNHYCMJKE-IPMKNSEASA-N 483.704 2.329 30 10 JEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCN2CCc3sccc3C2)CC1 1690396694 JNBBUMCPKHSKQR-MRXNPFEDSA-N 464.661 2.411 30 10 JEEE C=CC1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCc2ccc(S(N)(=O)=O)cc2)CC1 1690398685 DMBVDWGCAFPFHM-HSZRJFAPSA-N 475.615 2.223 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCN(c2ccccc2F)C1 1690622327 MYFLXYRRVAJAQT-RBUKOAKNSA-N 477.606 2.485 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CCC1(C)CC1 1692804579 BITZMSZVDOWQGC-SFHVURJKSA-N 471.631 2.272 30 10 JEEE CC(C)(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(C#N)C1)N1CCCCC1 1692852230 HZWYUQKLLOPKEY-CVDCTZTESA-N 493.678 2.006 30 10 JEEE CCC(O)(CC)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@](F)(C#N)C1 1694408736 FDICPKFIAUMBPK-HXUWFJFHSA-N 464.567 2.188 30 10 JEEE CCO[C@]1(c2nnc(N3CCN(c4ccccc4C#N)CC3)n2CCC(=O)N[C@@H](C)CC)CCOC1 1696079202 BQGGQECQBKUABU-RXFWQSSRSA-N 495.628 2.433 30 10 JEEE COc1ccccc1-c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCCC(=O)N(C)C 1697564551 CCWHTAREHQDYIH-UHFFFAOYSA-N 474.569 2.415 30 10 JEEE COCCN(CCC#N)c1nnc(-c2cnn(C)c2)n1Cc1cc(F)ccc1N1CCOCC1 1698060530 GWAGQGURNQLONG-UHFFFAOYSA-N 468.537 2.069 30 10 JEEE CS(=O)(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC[C@@H](O)C2)CC1 1698301422 BHRNLEIXAPCBMA-RBUKOAKNSA-N 473.599 2.293 30 10 JEEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1CCSCC=C)[C@H]1CCS(=O)(=O)C1 1705570072 MFRKONXNZMHLSA-IBGZPJMESA-N 470.624 2.063 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCC[C@]2(CCOC2)O1 1705576535 NBRMKZKZFGLMDT-HYBUGGRVSA-N 468.579 2.150 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H](C)CN2CCN(CC)CC2)CC1 1705642835 IZLFCGSLMRPREZ-QFIPXVFZSA-N 483.636 2.025 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCc2c[nH]nc2C)CC1 1705646572 IFFZIESUMAFVAP-UHFFFAOYSA-N 476.541 2.483 30 10 JEEE C#CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@H](COC)C1 1705656305 XZTARTGYBCZBKX-HNNXBMFYSA-N 454.394 2.264 30 10 JEEE C=C(Br)Cn1c(N2CCN3C(=O)OC[C@]3(C)C2)nnc1[C@]1(OC(C)C)CCOC1 1705692157 BBKFKNKGMGWRFD-OALUTQOASA-N 470.368 2.258 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CCC(=O)N(CC)CC)CC1 1705725840 UVHFUUFRETVHKP-FQEVSTJZSA-N 496.678 2.052 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1705737607 WAJBDBIDFKLKMX-HOTGVXAUSA-N 466.526 2.321 30 10 JEEE C=C(Cl)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC2(CC1)CNC(=O)C2 1705755306 QQOHOMXTISEXMO-MRXNPFEDSA-N 480.997 2.446 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@](C)(c2ccccc2)C1 1705895084 TUCJDLGKMZTUAU-DEOSSOPVSA-N 454.575 2.251 30 10 JEEE CO[C@@H]1COCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CNC(C)=O)CC1 1712094378 DZDLYACPWXVQEV-FCHUYYIVSA-N 452.559 2.221 30 10 JEEE C#CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1722316741 MJSLZYYLFVYEON-AABGKKOBSA-N 486.617 2.352 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCCO[C@@H](C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1722360195 DWSNRNCGYIZAQP-UGKGYDQZSA-N 482.610 2.473 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCN3CCN(c4ccccc4)CC3)n2CCCC)CC1 1722450210 ZCYNDJXAAKZZJB-UHFFFAOYSA-N 477.657 2.409 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCOc1ccc(F)cc1 1722459579 NLHUGHJIQOVMDB-MRXNPFEDSA-N 452.577 2.201 30 10 JEEE C=C(Cl)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(C)=O)C[C@@H]1C 1722552553 RWOZGQHAPDSHPT-DOTOQJQBSA-N 468.986 2.396 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1722701735 BKMMPSJEQHPUNW-TZIWHRDSSA-N 455.559 2.160 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1722732078 UPYARNVQJOZJIT-YKSBVNFPSA-N 490.626 2.459 30 10 JEEE Cc1ccc(NC(=O)c2nnc(N(C)C[C@H](C)C#N)n2CC(=O)NCC(F)(F)F)cc1C 1724378363 AKJVCXXCDJGRDN-GFCCVEGCSA-N 451.453 2.422 30 10 JEEE COc1cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)[C@@H](C)CC#N)c2ccccc2n1 1729983156 CBUFXRGUDIYCRI-GJZGRUSLSA-N 457.560 2.232 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1CC[S@](=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1740621925 QGERKIOUEZKDGS-MYGHRHJXSA-N 478.640 2.128 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCSC1)[C@@H]1CCS(=O)(=O)C1 1740624259 HGNDGSVDKMHNOZ-DOTOQJQBSA-N 451.643 2.014 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC2=CCCCC2)CC1 1740697412 DARHRLWFOLLELR-UHFFFAOYSA-N 468.627 2.451 30 10 JEEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1740720280 ZOOLKJBOZCVDQK-UHFFFAOYSA-N 461.595 2.056 30 10 JEEE C=CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1C[C@]1(OC)CCOC1 1740938916 OCHZAMFROFUGBU-LJQANCHMSA-N 454.369 2.490 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1740954644 CXUZYLFEFCFKNL-UHFFFAOYSA-N 451.619 2.242 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc3c(c2)OC(C)(C)O3)C1 1740971916 AFVIIKQWPMNTOR-WBVHZDCISA-N 477.587 2.225 30 10 JEEE CC(=O)N(C)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc(C#N)o2)CC1 1741010875 YHPUMJGICPBGTJ-QHCPKHFHSA-N 456.547 2.279 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1CC1([S@](C)=O)CCC1 1741912998 DHLVWPPXAGCGOR-FTDQSSOUSA-N 490.655 2.230 30 10 JEEE C#CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1748750338 CTHMQTZCWOGUKT-OALUTQOASA-N 494.662 2.276 30 10 JEEE C#CCN(c1nnc([C@H](C)OCCOC)n1Cc1ccc(Cl)s1)[C@@H]1CCS(=O)(=O)C1 1748805512 SZBLGXPGSCOOKC-LSDHHAIUSA-N 473.020 2.392 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccc(F)cc2)n1C[C@@]1(N2CCOCC2)CCSC1 1748860343 WDWLEEZQDALOIQ-DEOSSOPVSA-N 469.586 2.277 30 10 JEEE C#CCSCCn1c(CC(C)C)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1749037361 BQIBGNIYJLCUCP-SFTDATJTSA-N 460.692 2.470 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC1CCC(OC)CC1 1749067828 YBPZNXBQVNPUJS-SQKGIWRMSA-N 479.647 2.198 30 10 JEEE C=C1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccccc2S(=O)(=O)N(C)C)CC1 1749292552 RZDDHDGDAWEDQB-QHCPKHFHSA-N 475.615 2.385 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(-n3ccnc3)c(F)c2)C1 1749696528 CSXONMXCZNTYLF-FUHWJXTLSA-N 489.577 2.043 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(C)Cc1ccc2cnccc2c1 1749730872 TZSZXVMLYQOIEY-UHFFFAOYSA-N 451.556 2.464 30 10 JEEE CC(=O)N1CCC[C@H](Cn2c(-c3sc(N4CCOCC4)nc3C)nnc2N(C)C[C@@H](C)C#N)C1 1749816596 GCNVTKDYNUQNDC-LPHOPBHVSA-N 486.646 2.401 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1cc(F)ccc1OC)[C@@H]1CCS(=O)(=O)C1 1760190104 ODOLMLGBUXONHL-HXUWFJFHSA-N 469.542 2.087 30 10 JEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@@](C)(O)c1ccc(F)cc1 1760248224 FEFGDIXHSUSXJC-HSZRJFAPSA-N 455.490 2.139 30 10 JEEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H]2CCCCCC[C@H]21 1760281487 NITAZYPATVKFBA-QRVBRYPASA-N 467.661 2.136 30 10 JEEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1760306660 JGBBULWTEJGQGG-PMACEKPBSA-N 497.482 2.312 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ncc(Cl)n1C 1760321445 GPMYXQWVWAPABC-DAYGRLMNSA-N 469.011 2.185 30 10 JEEE C=C(Cl)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1760371252 TWRKADPEEYRTCV-FUHWJXTLSA-N 485.980 2.041 30 10 JEEE C=CCCOCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@H](C(=O)OC)C1 1760449763 UKNNTOPXIHCLOJ-KRWDZBQOSA-N 466.542 2.267 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCc1cnn(C)n1 1760480189 NRUCXWAZPNVDGD-HXUWFJFHSA-N 480.598 2.006 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC[C@@H](CN3CCC(C)CC3)C2)nnc1[C@@]1(OCC)CCOC1 1760529104 XBNHFCXBZHOBPH-SQJMNOBHSA-N 474.650 2.181 30 10 JEEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 1760558949 GIOVCTKBFUCKIK-UHFFFAOYSA-N 463.629 2.473 30 10 JEEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@@H](SC)C1 1760566297 QKGSEDIXFMGMGS-IAGOWNOFSA-N 475.706 2.252 30 10 JEEE C=CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1760569482 PSTPZFQIMHYEBX-HXUWFJFHSA-N 481.669 2.204 30 10 JEEE C/C(=C/c1ccccc1)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1CCN/C(O)=C1/N=CC=CC1=O 1760570045 FLABFGDSBABFBR-ZXCMWUFYSA-N 475.553 2.295 30 10 JEEE CC(=O)N1CCC(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCO[C@H](C#N)C2)CC1 1760585824 DHUULQVUGOCTTH-MRXNPFEDSA-N 462.352 2.023 30 10 JEEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCS(C)(=O)=O)C[C@@H](C(F)(F)F)O1 1763178007 GLGKCPMKANSUEO-PBHICJAKSA-N 487.504 2.319 30 10 JEEE CCN(CC)C(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@](C)(O)c2ccco2)CC1 1766567288 HQXBJLFVKLOETC-SANMLTNESA-N 491.596 2.308 30 10 JEEE CS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(OCC2CC2)CC1 1770338996 FGVLDDXWWZHSPN-UHFFFAOYSA-N 459.572 2.169 30 10 JEEE N#C[C@H](c1cccc(Br)c1)N1CCN(C(=O)CN2C(=O)c3ccccc3C2=O)CC1 1857957266 MVVGFRGQAVPQOZ-LJQANCHMSA-N 467.323 2.454 30 10 JEEE CN(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CCCNC=O)cc1 1862629100 NMNMFXDJCHCXRP-NRFANRHFSA-N 451.479 2.196 30 10 JEEE COCCCN1C(=O)c2ccc(C(=O)N[C@@H](C)C(=O)N[C@@H](C#N)c3ccc(C)cc3)cc2C1=O 1867515339 QVSTYWGGWIJJJR-KKSFZXQISA-N 462.506 2.127 30 10 JEEE CC(=O)Nc1ccc(C)c(-n2nnc(C#N)c2NC(=O)CCCN2C(=O)c3ccccc3C2=O)c1 1870143830 DVTPYUWSIZWAIE-UHFFFAOYSA-N 471.477 2.421 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)COc2cn(C[C@H](C)O)c(CN(CC)CC)cc2=O)nc1C 1870322868 BICACQCLJNMORJ-HNNXBMFYSA-N 492.598 2.196 30 10 JEEE C=CCn1cc(OCC(=O)Nc2cccc(Br)c2)c(=O)cc1CN(C)CCO 1870432564 JUBDNBOMMZWQHE-UHFFFAOYSA-N 450.333 2.238 30 10 JEEE CC(C)(C)OC(=O)N1CCC(OCC(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CC1 2180983659 DWEQNVLYDUMIQE-UHFFFAOYSA-N 462.356 2.130 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NC[C@@H]2C[C@H](OC)CN2C(=O)OC(C)(C)C)C1 2255196756 KPCPSWLFRPPWKP-LLUXXFGUSA-N 451.564 2.434 30 10 JEEE Cn1nc(C(=O)N[C@@H]2CC[C@H]2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2255648495 CLYOKFQDJGSEIN-VXGBXAGGSA-N 454.764 2.158 30 10 JEEE Cc1c(C(=O)N[C@@H]2CC[C@H]2NC(=O)OCc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2255665819 KREZGNGCELMXAH-QZTJIDSGSA-N 468.363 2.215 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1S(=O)(=O)N[C@H](C)CNC(=O)OC(C)(C)C 2255802848 FZQIYWQAYONXPR-OAHLLOKOSA-N 454.398 2.486 30 10 JEEE Cc1c(C(=O)N(C)[C@@H](C)CN(C)C(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2266994362 TXFQOXXFHPBTSL-AWEZNQCLSA-N 450.389 2.355 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1NS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2267376683 ZVKPLNNJEXYHOC-SJORKVTESA-N 467.397 2.105 30 10 JEEE CC(C)(C)OC(=O)N[C@@](C)(CO)CNC(=O)c1cc(F)ccc1B1OC(C)(C)C(C)(C)O1 2267407757 WBIWDCYWRZTXFH-JOCHJYFZSA-N 452.332 2.130 30 10 JEEE C=C(CS(=O)(=O)N1CCC(N(CCO)C(=O)OC(C)(C)C)CC1)B1OC(C)(C)C(C)(C)O1 2267461878 AUJSQRTYKMTZRK-UHFFFAOYSA-N 474.429 2.198 30 10 JEEE CC1(C)OB(c2nccnc2C(=O)NC2CC3(C2)C[C@H]3NC(=O)OCc2ccccc2)OC1(C)C 2267877333 UJBIHCZMULHQKH-JXHCQPQMSA-N 478.358 2.353 30 10 JEEE Cc1cc(C(=O)N(C)CC2(O)CN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2271685833 NDOIHEXKQVRJDW-UHFFFAOYSA-N 466.409 2.410 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1COC[C@H]1NC(=O)c1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2281784231 WAIWMCGCRJHOCS-KBXCAEBGSA-N 464.343 2.394 30 10 JEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@]1(C)CO 2281798720 LPSCLQWKIQCISD-HSZRJFAPSA-N 464.368 2.331 30 10 JEEE CC[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2281973881 VGCOHRMNTQOYAM-NVXWUHKLSA-N 462.400 2.485 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2[C@@H]3[C@@H]2CCCCN3C(=O)OC(C)(C)C)n1 2282036233 GDXYMQLLTLTLED-KYJSFNMBSA-N 460.384 2.237 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2282054310 PCBZVMYALMBUCT-WBVHZDCISA-N 460.384 2.284 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1CO 2282141594 JTVQRBKUAZTBSY-GOSISDBHSA-N 460.380 2.348 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 2282303828 BGVPOZLGOPYSPM-IAGOWNOFSA-N 478.420 2.438 30 10 JEEE CCCC[C@H](CNC(=O)OC(C)(C)C)NS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282491486 LPAJIVBECJGENE-OAHLLOKOSA-N 486.444 2.081 30 10 JEEE CC1(C)OB(c2cnc(C(=O)N[C@@H]3CCOC[C@H]3NC(=O)OCc3ccccc3)c(F)c2)OC1(C)C 2282536055 XESLINDCVHVASZ-WOJBJXKFSA-N 499.348 2.334 30 10 JEEE Cn1cc(C(=O)NCc2ccnc(NC(=O)OC(C)(C)C)c2)nc1B1OC(C)(C)C(C)(C)O1 2282551808 MHSRZAQVDJSBSP-UHFFFAOYSA-N 457.340 2.391 30 10 JEEE Cc1c(C(=O)N[C@]23CCN(C(=O)OC(C)(C)C)C[C@H]2C3)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282581919 OVECYKLDPFJOCU-CMJOXMDJSA-N 460.384 2.157 30 10 JEEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCCCCN(Cc2ccccc2)C1 2282697442 PXGCKGRJKJMEHF-LJQANCHMSA-N 453.396 2.289 30 10 JEEE C[C@@H]1CN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C[C@@]1(C)CNC(=O)OC(C)(C)C 2282706819 RCCQZYBLZCQUMY-IQMFZBJNSA-N 460.384 2.399 30 10 JEEE COC[C@@H](ONC(=O)OC(C)(C)C)C(=O)N1Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C1 2283947397 ZQFQWWMFNIQNHO-GOSISDBHSA-N 462.352 2.299 30 10 JEEE C[C@H](NC(=O)C[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1)c1nscc1B1OC(C)(C)C(C)(C)O1 2283976676 GYDFQTBQHQENFE-FPTDNZKUSA-N 481.424 2.382 30 10 JEEE Cc1cc(CNC(=O)CN2CC(CNC(=O)OC(C)(C)C)C2)sc1B1OC(C)(C)C(C)(C)O1 2284062796 IMQCTBUKRVGIFZ-UHFFFAOYSA-N 479.452 2.428 30 10 JEEE COCCN1C(=O)C(=O)C(=C(O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccc(C(=O)OC)cc1 2297744895 PGCYODCIHLEOEM-FQEVSTJZSA-N 453.447 2.313 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)n1C 2362342534 ZXXUQBHLAUZNCU-GOEBONIOSA-N 462.400 2.403 30 10 JEEE CC(C)n1cc(/C=N/Nc2nnc(SCCC(=O)Nc3ccc4c(c3)OCCO4)n2N)cn1 20921402 IOMMCZSDCDJGBE-LSHDLFTRSA-N 471.547 2.107 30 10 JEEE COc1ccc(CN(C(=O)CN2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C2CC2)cc1 24804089 MIUDWVOSZWNSAP-UHFFFAOYSA-N 468.579 2.064 30 10 JEEE C=CCNC(=O)[C@H](NC(=O)c1ccc2c(c1)OCO2)C1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 36211667 YMPQRWXCWFKONB-HSZRJFAPSA-N 493.516 2.097 30 10 JEEE CCCn1c(N2CCOCC2)c(/C=C2/SC(=S)N(CCOC)C2=O)c(C)c(C#N)c1=O 39769681 VQEZFNOMWFUQNP-SFQUDFHCSA-N 462.597 2.123 30 10 JEEE C=CCOc1ccc(C=c2sc(=CC(=O)OCC)n(CC(=O)Nc3cccc(F)c3)c2=O)cc1 603783723 ALTDJBMPZDNYAZ-UHFFFAOYSA-N 482.533 2.425 30 10 JEEE N#Cc1ccc(N2CCN(C(=O)Nc3ccc(S(=O)(=O)C[C@@H]4CCCO4)cc3)CC2)nc1 609436319 IVYNTSBGXFMXRV-IBGZPJMESA-N 455.540 2.260 30 10 JEEE COc1ccc(NC(=O)CSc2nnc(NN=Cc3cccc([N+](=O)[O-])c3)n2N)c(C)c1 1084115594 CVKSMRNVHWFDIP-UHFFFAOYSA-N 456.488 2.394 30 10 JEEE C=CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(C(=O)N[C@@H](C)C(=O)OCC)cc2)c1 1148379212 PTGWHIIIKKNCGE-HNNXBMFYSA-N 459.524 2.085 30 10 JEEE C=CCn1c(S)nc2cc(C(=O)N[C@@H]3CCN(c4cnnc(O)c4Cl)C3)ccc2c1=O 1180287340 RZDRZNPHXXQQLI-GFCCVEGCSA-N 458.931 2.029 30 10 JEEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(COC(C)(C)C)c1 1286376157 GLIYBLMFCRZLRZ-FQEVSTJZSA-N 475.615 2.044 30 10 JEEE C#CCN(c1nnc(-c2ccc(OCCC(C)C)cc2)n1Cc1ncn(C)n1)[C@H]1CCS(=O)(=O)C1 1286389002 XHICLKQFYSCJCH-FQEVSTJZSA-N 497.625 2.174 30 10 JEEE C#CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1Cc1nccc(C(F)F)n1 1286467333 VEWXLDNBDUCTTI-UHFFFAOYSA-N 452.469 2.379 30 10 JEEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2Cc2cc(OC)c(OC)c(OC)c2)CC1 1286481264 AVYPVUQTGWBDBG-UHFFFAOYSA-N 482.610 2.463 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2CCN2CCOC(C)(C)C2)CC1 1286484744 WUMGAZYLLSWHLH-UHFFFAOYSA-N 452.603 2.032 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2CCN(C)C(C)C)CC1 1286491287 LWTRHCMEQFTJEX-UHFFFAOYSA-N 452.603 2.184 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCCc3ccccc3)n2CCc2ccn(C)n2)CC1 1286493014 DKLBKUCTWHEZFH-UHFFFAOYSA-N 459.598 2.395 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccc2OC)nnc1N1CCC(OCC(N)=O)CC1 1286557188 HMYIBEUXVYNDEL-CYFREDJKSA-N 469.586 2.329 30 10 JEEE C=C(C)COCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(C(=O)C(C)C)CC1 1286606562 UOVGFSLQNKOELV-UHFFFAOYSA-N 489.646 2.136 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[S@@](=O)CC 1286744733 LKQPMJKDPQWHLJ-JWRCQZCYSA-N 454.593 2.281 30 10 JEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1286776265 NTNWZQBIEGGKPJ-CABCVRRESA-N 488.511 2.277 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1286781182 VWNVWDITPUOUHM-AZUAARDMSA-N 499.591 2.442 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N(C)Cc1c(C)nn(C)c1C 1286782920 CTXGDORWFDYDGX-UHFFFAOYSA-N 453.547 2.251 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)C(C)C)CC1 1286792495 ZPMXRXSZTCVGGF-UHFFFAOYSA-N 454.575 2.081 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccccc2Br)C1 1286801022 VEGJEVIPOYXBMC-GOEBONIOSA-N 484.420 2.480 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1286820522 MUSKBNFNXOWYHK-MJGOQNOKSA-N 497.662 2.201 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@H](c2noc(C)n2)C1 1286821610 QMCMBRWFPBUOIX-SFHVURJKSA-N 494.524 2.017 30 10 JEEE CC(C)NS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1288271930 CCIYJCXMKDNFSE-IBGZPJMESA-N 458.588 2.150 30 10 JEEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCN(C)C2)CCN1C(=O)OC(C)(C)C 1291217655 FVSXWPOVYRWBSZ-IQGLISFBSA-N 481.601 2.329 30 10 JEEE COC(=O)CCN(Cc1ccc(F)c(F)c1)C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 1293470026 DGFQYMUKYLKTJB-UHFFFAOYSA-N 450.463 2.343 30 10 JEEE CN(C)C(=O)Nc1ccc(Cn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@H](C#N)C2)cc1 1298018937 AKSMKMWUCRZRGS-GOSISDBHSA-N 494.581 2.140 30 10 JEEE C#CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1300338193 AXJKHOCNBPJTGJ-FQEVSTJZSA-N 489.584 2.483 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CC(C)(C)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 1300479749 RTMJHMXLAHLLEH-FQEVSTJZSA-N 492.690 2.088 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1CCn1cc(C)cn1)[C@H]1CCS(=O)(=O)C1 1300484546 TWWWFRFLWVEGHX-SFHVURJKSA-N 490.536 2.378 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1occc1C)[C@@H]1CCS(=O)(=O)C1 1300484997 VRAMOFXWPXYPJX-GOSISDBHSA-N 455.496 2.430 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1CCOCC)[C@@H]1CCS(=O)(=O)C1 1300485853 ZSFKBGOCDSQQAH-DLBZAZTESA-N 450.536 2.220 30 10 JEEE C#CCN(c1nnc(C2CC2)n1CCCc1ccc(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1300493952 XLUUSCMMQACSOY-LJQANCHMSA-N 458.584 2.432 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1300606619 PJUTUCOMTWWJKA-LJQANCHMSA-N 494.625 2.309 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2CC[C@H](C(F)F)N2CCOCC2)CC1 1300701500 VVZDFUDQOQKIJT-OAQYLSRUSA-N 476.547 2.119 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3OCC)n2CCS(=O)(=O)C(C)(C)C)CC1 1300710038 PUSULTWNLCAEJK-UHFFFAOYSA-N 489.642 2.224 30 10 JEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2ccccc2C)C1 1300732719 DPUPTLOETWRWLK-MJGOQNOKSA-N 463.629 2.141 30 10 JEEE C=C(C)COCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(N(C)C(C)=O)CC1 1300983666 LZVXYAPODJFFPA-UHFFFAOYSA-N 489.646 2.278 30 10 JEEE COC[C@H]1CCCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1301238316 HGTIJZUPAIDTTP-PZJWPPBQSA-N 472.615 2.494 30 10 JEEE C=CCCOCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCc2nn(C)c(=O)cc2C1 1301261552 IKWRGCJKTTXVSY-WIYYLYMNSA-N 456.591 2.446 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccccn2)n1C[C@]1(O)CCS(=O)(=O)C1 1301351225 MYROYTQPWOIUBE-JOCHJYFZSA-N 457.531 2.221 30 10 JEEE C=CCn1c(-c2ccc(C)o2)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1301437945 BEZLVGLVAZAANY-INMHGKMJSA-N 463.560 2.159 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(NC(=O)N(C)C)cc2)C1 1301554408 GGDTYUCBUQOAIK-OALUTQOASA-N 453.547 2.152 30 10 JEEE COCC(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCSC2)CC1 1315755581 DGNZCVFUIPQMNZ-GOSISDBHSA-N 470.599 2.213 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCCN(CC)S(C)(=O)=O 1358876063 BLLUVMMBVXKTJS-QGZVFWFLSA-N 455.588 2.465 30 10 JEEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1358919647 GZRPJFOCSYYZDH-SFHVURJKSA-N 498.031 2.064 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1CCOC(C)C)[C@H]1CCS(=O)(=O)C1 1358960111 XIRMBRZRXJZPPQ-SFHVURJKSA-N 462.572 2.014 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1358976693 NKZDRVJZWRRSQX-PMACEKPBSA-N 487.608 2.153 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC1CCN(CC(F)(F)F)CC1 1358994737 VKBBRDRYUYGQNM-IBGZPJMESA-N 485.576 2.308 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCCc2cccc(C)n2)CC1 1359041608 CECORRKNOXYUPK-AREMUKBSSA-N 480.613 2.232 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2C[C@@H](C)COC)CC1 1359045844 VQRGPUPQPHUIED-UTKZUKDTSA-N 453.543 2.039 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@H](C)CCC 1359331054 LYHSJJUQTBWORL-MRXNPFEDSA-N 458.588 2.418 30 10 JEEE CC(=O)c1cccc(S(=O)(=O)NCCC(=O)NC2(c3ccc(C#N)cc3)CCOCC2)c1 1454683335 MEVRTIOUMADSHF-UHFFFAOYSA-N 455.536 2.251 30 10 JEEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](c2ccc(CC)cc2)c2cccc(F)c2)CC1 1477335593 KJPHCCMNIHPXAO-JOCHJYFZSA-N 458.559 2.272 30 10 JEEE CCOc1ccnc(N2CCCN(C(=O)NC3CCN(c4ccc(C#N)cn4)CC3)CC2)n1 1477759701 CUYUHPGCWUUYSH-UHFFFAOYSA-N 450.547 2.033 30 10 JEEE CN(C(=O)OC(C)(C)C)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ncn(C)n2)C1 1503352344 GRQAILXJYHCQSP-SFHVURJKSA-N 463.546 2.439 30 10 JEEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1507606813 YAMQZXFWWABHDJ-UHFFFAOYSA-N 493.637 2.003 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H](C)Oc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1507630603 CYBZLAJSGXSWPV-ZWKOTPCHSA-N 469.567 2.376 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](OC)C(C)C)[C@H]1CCS(=O)(=O)C1 1507638545 RZWNFMHAOWSGLF-MTQWCTHYSA-N 466.648 2.494 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCc1cnn(C)c1 1507663304 WTWYYXPTBUSVEF-UHFFFAOYSA-N 479.610 2.025 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1Cc1cccc(CN2CCO[C@@H](C)C2)c1 1507710099 INYNEERRPSRTSZ-FQEVSTJZSA-N 463.586 2.034 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(C(=O)N(CC)CC)cc2)CC1 1507731577 MAAVFKXUBXXANA-QHCPKHFHSA-N 464.614 2.458 30 10 JEEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1507744780 PFFWOJSKIHKSAD-CYBMUJFWSA-N 458.407 2.025 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(=O)COC)CC1 1507807814 WOPYMMMHGAIOIO-HXOBKFHXSA-N 475.540 2.423 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccc(OCC(=O)N(C)C)c2)CC1 1507906544 LPJWKYRVHPPQNG-FQEVSTJZSA-N 452.559 2.147 30 10 JEEE C=CCCCn1c(N2CCC[C@@H](N3CCCS3(=O)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1507954637 WMBUDHAYLLWECL-DENIHFKCSA-N 467.636 2.289 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@]2(CCC(=O)N2)C1)C(C)C 1508012181 YSFXXJGQCHWDKR-NLFFAJNJSA-N 469.634 2.072 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2Cc2cnnn2C)C1 1508124841 CGRBGRJHQKWKEC-ROUUACIJSA-N 458.567 2.308 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCN(C(C)C)CC1 1508136971 XKMUVAHHYOFWFJ-UHFFFAOYSA-N 469.615 2.466 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1508145288 ZBZHPCMDYXIJLO-SFHVURJKSA-N 474.612 2.208 30 10 JEEE CS(=O)(=O)c1cccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCn2cc(Cl)cn2)c1 1519506202 GJDZFZBGCRLYCK-IBGZPJMESA-N 463.926 2.341 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1ccc(OC)cc1OC)[C@@H]1CCS(=O)(=O)C1 1539220440 JIUKDAWYNPUHKP-UYAOXDASSA-N 474.583 2.212 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CCCOC1 1539300988 YYOGSKQSYLQSLX-IBGZPJMESA-N 454.600 2.436 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1C[C@@H](c1cccc(C)c1)N1CCOCC1 1539409228 SRIFNUWOAKJHAJ-QHCPKHFHSA-N 461.570 2.203 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2CCO[C@H]2C(=C)C)CC1 1539468922 JZAVSXDFHSEKRM-UFPGJGBJSA-N 485.629 2.266 30 10 JEEE C=C(C)COCCn1c(Cc2ccccc2F)nnc1N1CCC(NS(C)(=O)=O)CC1 1539752473 OZFQQGSBYFEMTF-UHFFFAOYSA-N 451.568 2.119 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccc(CN3CCOCC3)c2)C1 1540882590 LDMIIRYYPJYVNF-JOCHJYFZSA-N 468.602 2.078 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCO[C@H]1C(C)(C)C 1541115944 HJKGWTSROZIYBA-AKHDSKFASA-N 482.651 2.048 30 10 JEEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H](C)COc2ccccc2OC)CCOC1 1547918814 HNEQUHAAMIWCCU-YDIMBITNSA-N 471.558 2.383 30 10 JEEE C=CCn1c(S)nc2cc(C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)ccc2c1=O 1556131977 AZYLHSQALBAJLY-WMLDXEAASA-N 455.540 2.360 30 10 JEEE C=CCN(C(=O)Nc1cccc(N(CC(N)=O)Cc2ccccc2)c1)[C@@H]1CCS(=O)(=O)C1 1562355375 YHRQDALDVCKRJD-OAQYLSRUSA-N 456.568 2.386 30 10 JEEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(Br)ccc2OC(F)(F)F)C1=O 1585629956 XMXPCWAVQYYKSX-UHFFFAOYSA-N 450.167 2.263 30 10 JEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(OCCN2CCCC2)CC1 1587765870 MIDWNWJVXYTOQO-HXUWFJFHSA-N 463.648 2.065 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1Cc1ncccc1N(C)C)[C@@H]1CCS(=O)(=O)C1 1588059051 IFMMTVOGVMPSNX-HXUWFJFHSA-N 482.585 2.144 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@](C)(O)CCC(C)C)[C@@H]1CCS(=O)(=O)C1 1588064749 OHZPSHNKGSWWLG-OFNKIYASSA-N 459.616 2.078 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CCN1CCCC[C@@H]1CC)[C@H]1CCS(=O)(=O)C1 1588064885 QODHRXUNJGAZAK-VXKWHMMOSA-N 470.643 2.155 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1cccc(C(C)(C)O)c1)[C@@H]1CCS(=O)(=O)C1 1588065057 SOBNIHRVRXIOHH-JOCHJYFZSA-N 479.606 2.166 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1CCc1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1588069020 FMZZUSXOOOKZKO-SFHVURJKSA-N 487.557 2.470 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1-n1nc(C)cc1C 1588384919 DHSQKZOOKSWLPK-HXUWFJFHSA-N 452.584 2.491 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CCCCCS(C)(=O)=O)CC1 1588898780 BUFCWRQKQMDQNB-UHFFFAOYSA-N 461.588 2.027 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2CCC(=O)NC(C)C)CC1 1588923912 QFLXVALCBNGBAV-UHFFFAOYSA-N 489.580 2.481 30 10 JEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 1589110148 PWKVGDFRIZPKRH-WMZHIEFXSA-N 484.674 2.020 30 10 JEEE C=C(Cl)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 1593799950 HNGDRIUIJBZXDD-UHFFFAOYSA-N 478.041 2.084 30 10 JEEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCN(CC(F)(F)F)C2)CC1 1596249574 DHSMORWSDQRTFG-LJQANCHMSA-N 491.518 2.281 30 10 JEEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](c2ccc(C)cc2)[C@@H](C)S(C)(=O)=O)c1 1618211749 IFYZLXCZJAQOIN-OXQOHEQNSA-N 450.582 2.364 30 10 JEEE C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CCN(c3cc(OC)cc(OC)c3)C2)c1 1631690921 YVABLQIVJGIQBD-KRWDZBQOSA-N 459.568 2.424 30 10 JEEE C#CCN(CC(=O)c1c(N)n(Cc2ccccc2)c(=O)n(CC)c1=O)[C@@H]1CCc2ccccc21 1641587484 AKWMEVWANLBGRL-JOCHJYFZSA-N 456.546 2.466 30 10 JEEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H]2CCN(c3ccc(Cl)cc3F)C2=O)c1 1656343965 MKTYYTBPMOSJPV-QGZVFWFLSA-N 451.907 2.479 30 10 JEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(N)=O)cc1 1673398321 HNHIIZYSATXXON-SFHVURJKSA-N 450.948 2.365 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1CCC(=O)NC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1689997271 ZDILTHWWIBYVAS-IBGZPJMESA-N 487.626 2.097 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@H]1CCCN1c1cnn(C)c1 1690004751 FCKILYWPIBNZLU-HXUWFJFHSA-N 489.580 2.446 30 10 JEEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCO[C@H]1CCOC1 1690077608 SFAVVWCYHCTSJH-RBUKOAKNSA-N 463.579 2.242 30 10 JEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@@H](C)NC(=O)OC(C)(C)C 1690100836 DVOWPMQBONXNLH-OAHLLOKOSA-N 460.535 2.005 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2CCS(=O)(=O)Cc2ccccc2)CC1 1690131330 XZJJJDDQDUSQCL-UHFFFAOYSA-N 469.636 2.301 30 10 JEEE C#CCSCCn1c(N2CCC3(CCN(C)C3=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1690186400 PILCPBLYDDNCAD-HSZRJFAPSA-N 461.632 2.134 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OCC)cc1 1690265971 WVBWHLCBLHQSIX-FQEVSTJZSA-N 463.604 2.460 30 10 JEEE C=C(C)COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1690302415 DMRDDSOAKMDCMA-XXBNENTESA-N 497.600 2.435 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2cccc(F)c2)C1 1690313625 ZGCIYVZNGMXLDW-AZUAARDMSA-N 464.563 2.490 30 10 JEEE C=CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(CCOC)CC1 1690460147 AWJNESZNDIWGEZ-UHFFFAOYSA-N 451.575 2.317 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](C)N1CCN(CC)CC1 1690559422 FUVDIHGUIDFJMK-NZQKXSOJSA-N 476.629 2.319 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1690662271 WYHVCKLQUOEPOE-INIZCTEOSA-N 481.022 2.009 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1690727288 ZTCDCIOHLSEQFT-AUSIDOKSSA-N 460.600 2.048 30 10 JEEE CC(C)(Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(C#N)C1)N1CCCCC1 1692852237 HZWYUQKLLOPKEY-XXBNENTESA-N 493.678 2.006 30 10 JEEE CS[C@@H](C)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1698344017 AMTPWFZLRCPQCT-INIZCTEOSA-N 457.579 2.489 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(N(C)C)CCSC1 1705582981 NYNBENYBYCAWQB-NTKDMRAZSA-N 488.658 2.097 30 10 JEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](C)Oc2ccccc2OC)CC1 1705642480 VPUHKMAAVAZBPN-NRFANRHFSA-N 463.586 2.371 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(F)c(COC)c2)CC1 1705647606 HSXJYVAGQDYUNX-IBGZPJMESA-N 455.534 2.082 30 10 JEEE C#CCSCCn1c([C@H](C)OCCOC)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1705653935 SYWFAWBDCLPGLU-IBGZPJMESA-N 464.636 2.096 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCN1C[C@@H](C)C[C@@H](C)C1 1705668059 CQPBLJHKTATHBA-VQQMMKBISA-N 450.653 2.248 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 1705693444 GQHNYSPTRAVAKP-OFNKIYASSA-N 498.603 2.428 30 10 JEEE C=C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1705761140 BSJAPCVOXDOVDG-GOSISDBHSA-N 493.033 2.299 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](c2nc3ccccc3o2)C1 1705894957 PDVLVNBOXAWBDT-MRXNPFEDSA-N 451.531 2.244 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 1705905290 PZQFSKHFBTVZTQ-IBGZPJMESA-N 465.602 2.041 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1705931911 FSKUMVWJLDPPNN-SFHVURJKSA-N 460.604 2.072 30 10 JEEE CC(C)(C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1706092358 HFBHSKFZTPGIQX-KRWDZBQOSA-N 491.518 2.484 30 10 JEEE CC(C)CN1CCO[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCOC[C@H]2C)C1 1706517667 HOIJLFFMYREYHH-DENIHFKCSA-N 454.575 2.311 30 10 JEEE CCCCN(C)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@](F)(C#N)C1 1709605976 CURWTBIAZRJETN-NRFANRHFSA-N 462.599 2.412 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCSCCCO 1722282204 XSFSXIXSYJNKJW-OAHLLOKOSA-N 450.634 2.120 30 10 JEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCNC(=O)c1cccs1 1722355299 SPQULPDNNMBFOJ-INIZCTEOSA-N 474.587 2.147 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(OC)cc(OC)c2)n1CCN1CCN(C)C(C)(C)C1 1722374710 CICLRSMXRCXIMU-UHFFFAOYSA-N 450.587 2.061 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1CCCn1cc(Br)cn1 1722428935 LSLQAKPQCQTLQP-INIZCTEOSA-N 451.369 2.307 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H]2CCCN(CC(C)C)C2)CC1 1722432822 FYJCTNZICBJNLL-ZEQKJWHPSA-N 472.678 2.442 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CC[S@@](=O)C(C)(C)C)CC1 1722434291 OTIZLOLIOQFDGM-UUWRZZSWSA-N 489.642 2.273 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2CCC(=O)N2CCCCC2)CC1 1722442454 XJRJDYJLFBHHPG-UHFFFAOYSA-N 466.586 2.024 30 10 JEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1722452743 KLNIDARLATZLMS-UHFFFAOYSA-N 460.007 2.256 30 10 JEEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(CC)C[C@@H]1COc2ccccc2O1 1722542566 CZINHZSSHLQKJM-LSDHHAIUSA-N 455.968 2.307 30 10 JEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(F)(F)CNC(=O)OC(C)(C)C)CC1 1722560324 WFGZGECANNFPLI-CQSZACIVSA-N 478.566 2.205 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1722693759 ZJOYGPVCYGSPNQ-QGZVFWFLSA-N 461.448 2.405 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCN(c2nccnc2C)CC1 1722706798 YGHPUXNVJIVXSD-UHFFFAOYSA-N 482.976 2.238 30 10 JEEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1Cc1ccnc(-n2cccn2)c1 1729623269 CBTSUZCDCKYFEX-QGZVFWFLSA-N 455.526 2.264 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CC1(OC)CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1740617939 ZDXOLDXKDGJGOL-GPYWDQNKSA-N 494.658 2.152 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCOCC(F)(F)C(F)F)[C@@H]1CCS(=O)(=O)C1 1740620269 UPKUXVSIUZVTLS-QGZVFWFLSA-N 499.490 2.360 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CC1(CCOC)CCCC1)[C@H]1CCS(=O)(=O)C1 1740626134 SRAXKBXRIYIASJ-NRFANRHFSA-N 471.627 2.488 30 10 JEEE C#CCN(CC#CC)c1nnc(CSc2ccccc2OC)n1CCN1CCN(C(C)=O)CC1 1740659925 ZROJUXVTOPEENK-UHFFFAOYSA-N 480.638 2.206 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccc(N(C)C)cc2C)CC1 1740692559 LPOHQKWRISTGLA-VWLOTQADSA-N 452.603 2.108 30 10 JEEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1740750085 LQAAKHPMVRWDKB-DKIMLUQUSA-N 470.412 2.068 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N1CCN(CC(=O)NCC)CC1 1740768858 YKJWOGIDPGQTLL-DVECYGJZSA-N 486.592 2.236 30 10 JEEE C=C(C)Cn1c(N2CCN(CC(=O)NCCOC)CC2)nnc1C1(c2ccccc2)CCC1 1740785875 HLEYDXSIQHHQEJ-UHFFFAOYSA-N 452.603 2.209 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCN(C2CCCC2)CC1 1740964521 QCYSCMGPGMEZOB-UHFFFAOYSA-N 454.575 2.233 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCC(=O)NC)C1 1740981754 XAACDJRTUFIBRT-ROUUACIJSA-N 462.595 2.310 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCOC2(CCCCCC2)C1 1740985888 MVLRCAKSYBMVMF-UHFFFAOYSA-N 488.614 2.456 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CCC[C@H](C(=O)OC)C1 1740994313 OXHNOOCWWSXKDV-SFHVURJKSA-N 462.572 2.156 30 10 JEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CCSCCCO)[C@@H]1CCS(=O)(=O)C1 1748807651 APCXFUHAQVJWEV-GOSISDBHSA-N 469.032 2.341 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@@](C)(OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1748810693 ZTHYIJRWNLTOST-HOYKHHGWSA-N 488.610 2.404 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2CC2CCN(C(C)=O)CC2)CC1 1749015198 AMHXHWQRWWKUGS-UHFFFAOYSA-N 492.624 2.124 30 10 JEEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1749049222 GDYUFDSRUZWRAH-IAGOWNOFSA-N 474.631 2.084 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccn2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1749126346 BDZLQYRBUROSAU-NSHGMRRFSA-N 460.604 2.087 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCn1cc(Br)cn1 1749159436 UZSZHWMKHOMMOJ-CQSZACIVSA-N 457.398 2.242 30 10 JEEE COCC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)OC(C)(C)C)CC1 1749256320 AQJZBPRVPAHPLO-UHFFFAOYSA-N 483.573 2.073 30 10 JEEE C=CCC(C)(C)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCO[C@@H](C(=O)NC)C1 1749373191 GXLNTGHUDLAEES-HSZRJFAPSA-N 495.672 2.196 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[C@@H](N2CCCC2=O)C1 1749651921 BWAFDBIXTLXFFZ-IAGOWNOFSA-N 456.522 2.061 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2CCOC[C@H]2OC)C1 1749696801 FGNCTXUAURUXCF-URFJDIBFSA-N 450.580 2.152 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1749729459 KDEAYSKQRVTGCL-QGZVFWFLSA-N 460.585 2.284 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N(C)Cc1ccccc1N1CCOCC1 1749729462 KJQIUZSYPLEMAR-UHFFFAOYSA-N 470.599 2.347 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CCC[C@@H](C(=O)NC)C1 1749730065 YMWMNNBVBQWISH-OAHLLOKOSA-N 451.980 2.162 30 10 JEEE CC(C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1750980087 CFCDLQOXXJTKRC-OAQYLSRUSA-N 463.586 2.474 30 10 JEEE C[C@@](O)(C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(C)(=O)=O)CC1)C(F)(F)F 1751238950 DMZMEQZNWBMNNZ-LJQANCHMSA-N 471.505 2.391 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1CCc1cn[nH]c1)[C@H]1CCS(=O)(=O)C1 1760191574 JRYMDZXETCRYQK-FQEVSTJZSA-N 468.583 2.066 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@@]1(N(C)C)CCSC1)[C@@H]1CCS(=O)(=O)C1 1760192115 QYEZFVXMTXVZKZ-QPPBQGQZSA-N 487.695 2.127 30 10 JEEE C#CCN(c1nnc(COCC)n1CC(C)(C)c1ccc2c(c1)OCO2)[C@H]1CCS(=O)(=O)C1 1760193211 WRROCLRVXFPDRA-SFHVURJKSA-N 474.583 2.148 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCOCCS(C)(=O)=O 1760196475 ICMNBMYAJOWHME-UHFFFAOYSA-N 460.625 2.410 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2CCCN2C[C@H](C)O[C@@H](C)C2)CC1 1760264484 PVVYAVLMVSMTOZ-SFTDATJTSA-N 470.593 2.251 30 10 JEEE C=C(Br)Cn1c(N2CCCC[C@@H](S(C)(=O)=O)C2)nnc1[C@@]1(OCC)CCOC1 1760313445 ARLWCMKMXMTOKZ-CRAIPNDOSA-N 477.425 2.242 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccc2OC)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1760320221 TZNNBSUFVYVCEG-ODULNIPZSA-N 456.543 2.295 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(C)(C)C)CC1 1760557204 DHTAPAVQKNUZLY-UHFFFAOYSA-N 472.615 2.250 30 10 JEEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@H](SC)C1 1760566296 QKGSEDIXFMGMGS-DLBZAZTESA-N 475.706 2.252 30 10 JEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1nc(O)c2sccc2n1 1760566419 TUDPNOOBHXKVCO-CYBMUJFWSA-N 480.641 2.446 30 10 JEEE C[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1)N(C)C 1761422786 HZNQZCIEXQUDFU-RXVVDRJESA-N 499.616 2.409 30 10 JEEE CNC(=O)C(C)(C)Cn1c(-c2cnccn2)nnc1N1CCCN(c2ccccc2C#N)CC1 1769098663 FKTQBWYVCWEJAU-UHFFFAOYSA-N 459.558 2.096 30 10 JEEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccccc1[N+](=O)[O-] 1865724359 MDRKXZBUJQEKDC-QGZVFWFLSA-N 485.541 2.164 30 10 JEEE CCC[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1)C(=O)Nc1ccccc1C#N 1866592453 FICUPZMHACWPCN-QFIPXVFZSA-N 483.594 2.032 30 10 JEEE COCCCN1C(=O)c2ccc(C(=O)Nc3c(C#N)nnn3Cc3ccc(C)cc3)cc2C1=O 1870107156 VTHKJVMEDPGYTG-UHFFFAOYSA-N 458.478 2.391 30 10 JEEE CCOc1ccc(-n2nnc(C#N)c2NC(=O)CCCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 1870155619 WPWQRRANISLIOW-UHFFFAOYSA-N 489.448 2.461 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)COc2nonc2CC(=O)NCCCOCCCC)nc1C 1872649046 HPTPUYMFEXJCLZ-UHFFFAOYSA-N 495.558 2.060 30 10 JEEE CC(C)(C)OC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2180991916 UARYKJWILXVTSD-OAHLLOKOSA-N 464.372 2.423 30 10 JEEE CC(C)(C)OC(=O)N1CC(CCO)(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2255625775 XAGAEUCLKFYSNI-UHFFFAOYSA-N 452.382 2.149 30 10 JEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H](CO)CNC(=O)OC(C)(C)C)c1C 2255634822 BZNCIMNNJZRAGC-CQSZACIVSA-N 454.398 2.280 30 10 JEEE CC1(C)OB(c2cc(S(=O)(=O)NC3CN(C(=O)OCc4ccccc4)C3)ccc2F)OC1(C)C 2255794550 NGCLBFLPJJNZFD-UHFFFAOYSA-N 490.362 2.424 30 10 JEEE CC1(C)OB(c2cnsc2C(=O)N[C@H]2CCOC[C@H]2NC(=O)OCc2ccccc2)OC1(C)C 2255842981 ZVWKLVMDDJKNPB-ZWKOTPCHSA-N 487.387 2.256 30 10 JEEE Cc1cc(CN(C)C(=O)[C@@H](CO)NC(=O)OC(C)(C)C)sc1B1OC(C)(C)C(C)(C)O1 2256612418 DGENATAPZBOHNH-OAHLLOKOSA-N 454.398 2.200 30 10 JEEE CC(C)(C)OC(=O)N[C@@](C)(C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)C(F)(F)F 2256619503 ZQKBUGKWJVGIQR-INIZCTEOSA-N 466.291 2.043 30 10 JEEE C[C@H](CN(C(=O)OC(C)(C)C)C1CC1)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2256680503 XURJMPTUIUEKFC-GFCCVEGCSA-N 452.386 2.233 30 10 JEEE Cc1nc(C(=O)N2CC[C@@H](NC(=O)C(F)(F)F)C[C@H]2C)c(B2OC(C)(C)C(C)(C)O2)s1 2267165676 IODWQNDGAVEVHL-ZYHUDNBSSA-N 461.315 2.422 30 10 JEEE Cn1nc(C(=O)N[C@]23C[C@@H]2CN(C(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2267186260 HCMBTAIIMLCOPZ-GTJPDFRWSA-N 466.775 2.112 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)c2ccsc2B2OC(C)(C)C(C)(C)O2)C[C@H]1CO 2267460974 MSWMCKHTMAQZJL-GOEBONIOSA-N 466.409 2.395 30 10 JEEE C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2sc(B3OC(C)(C)C(C)(C)O3)cc2C1 2268642823 HZIAFFGGQVXTKB-DYVFJYSZSA-N 466.409 2.206 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2CCC[C@@]2(NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2282178866 PUCAPCFFFNSIJL-IQMFZBJNSA-N 458.368 2.295 30 10 JEEE C[C@H]1[C@@H](NS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CCCN1C(=O)OC(C)(C)C 2282346186 MGBURUKWNYAWSM-YJBOKZPZSA-N 481.424 2.447 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](O)CN(C(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2F)C1 2282399419 NPXDABAKDAFSBI-CABCVRRESA-N 464.343 2.225 30 10 JEEE C[C@@H]1CC[C@H](NC(=O)C(F)(F)F)CN1S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282494696 BCAYFBRCGUNZNG-OCCSQVGLSA-N 496.382 2.409 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 2282539588 WPDNJAOBYCBXKW-PHZGNYQRSA-N 460.384 2.380 30 10 JEEE Cn1nc(C(=O)NC[C@H]2[C@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2282551445 JPBONNHDZOOLCZ-MELADBBJSA-N 480.802 2.358 30 10 JEEE Cc1c(C(=O)NCC2(CNC(=O)OC(C)(C)C)CCC2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282554513 FOIWRMMPDUBATK-UHFFFAOYSA-N 462.400 2.453 30 10 JEEE Cc1cc(C(=O)NCCC2(O)CN(C(=O)OC(C)(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2282696419 COBOASBLXXIYRF-UHFFFAOYSA-N 460.380 2.396 30 10 JEEE CC(C)(C)OC(=O)N[C@]12C[C@H]1CN(S(=O)(=O)Cc1ccc(B3OC(C)(C)C(C)(C)O3)cc1)C2 2282843136 ITYRQHVFGCHFDY-SBUREZEXSA-N 478.420 2.415 30 10 JEEE CN(Cc1ccccc1B1OC(C)(C)C(C)(C)O1)C(=O)[C@H](NC(=O)OC(C)(C)C)C1COC1 2284018591 VOGYEBOJOUNDJK-LJQANCHMSA-N 460.380 2.484 30 10 JEEE CC(C)(C)OC(=O)N1CCOC(C)(C)[C@H]1C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2284135178 MJAOGDRZTAQBPN-MRXNPFEDSA-N 481.424 2.473 30 10 JEEE CCn1c(N2CCCC2)c(C=C2SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)c(C)c(C#N)c1=O 2314462112 PUKXDPIJQVRZJD-CQSZACIVSA-N 492.648 2.037 30 10 JEEE CC(=O)NCc1nnc(SCC(=O)N[C@@H](C)c2ccccc2)n1N=Cc1ccc(O)c(O)c1 2330794258 KJLMFDJYJONACY-AWEZNQCLSA-N 468.539 2.177 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1CC(F)(F)CN1C(=O)OC(C)(C)C 2362343671 JFTPUVZLQSCBNT-CYBMUJFWSA-N 470.326 2.094 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC2(CCC[C@H]2NC(=O)OC(C)(C)C)C1 2362353567 LQDLJJPDSOANJI-OAHLLOKOSA-N 460.384 2.239 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1[C@H]2CCC[C@H]1CN(C(=O)OC(C)(C)C)C2 2362357245 MWPBPWWEDXIQMC-HOTGVXAUSA-N 460.384 2.333 30 10 JEEE N#C[C@H]1C(=O)Nc2nc(NCc3ccc4c(c3)OCCO4)[nH]c(=O)c2[C@@H]1c1cccc([N+](=O)[O-])c1 72472463 QKERCJLBFANDMT-CRAIPNDOSA-N 474.433 2.285 30 10 JEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OCC2CC2)c(=O)n1CCc1ccccn1 523864935 JYYZXCPNXPBDIL-UHFFFAOYSA-N 486.597 2.142 30 10 JEEE CCOc1ccc(/C=C/C(=O)[C@H]2C[C@H](NC(=O)CNC(=O)c3ccccc3)CCN2)cc1OC 585828339 RQQHTUVSYXONPH-QCYKNMLGSA-N 465.550 2.343 30 10 JEEE CC1CCC(C#N)(N(C)C(=O)[C@H](C)OC(=O)[C@@H]2C[C@@H](O)CN2C(=O)c2ccc(F)cc2)CC1 725950382 DIIDEKCXEISYHI-RNEZOGCDSA-N 459.518 2.264 30 10 JEEE CC1CCC(C#N)(N(C)C(=O)[C@H](C)OC(=O)[C@@H]2C[C@H](O)CN2C(=O)c2ccc(F)cc2)CC1 725950383 DIIDEKCXEISYHI-VTXJEOIGSA-N 459.518 2.264 30 10 JEEE C#CCNC(=O)CN1CCN(C(=O)[C@@H]2C[C@H]3CCCC[C@@H]3N2C(=O)c2cccc(Cl)c2)CC1 728530843 VWXBTYGIJHNQHU-COPCDDAFSA-N 471.001 2.007 30 10 JEEE Cc1ccccc1NC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1C1CCN(C)CC1 729669868 UVVNFJPDCICDIF-UHFFFAOYSA-N 498.612 2.274 30 10 JEEE C#CC[C@@]1(C(=O)N2CCC[C@H](CNS(=O)(=O)C3CC3)C2)CCCN1C(=O)OC(C)(C)C 1160727881 BKXFWJSESCRNQS-VGSWGCGISA-N 453.605 2.100 30 10 JEEE C=CCO[C@@H]1CCN(C(=O)Nc2ccc(S(=O)(=O)N3CCC[C@@H](C(=O)OC)C3)cc2)C1 1197220886 RYSATGCSEIRNPK-SJLPKXTDSA-N 451.545 2.069 30 10 JEEE C#CCCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC(=O)N(C)[C@@H](C)C1 1286319191 XPCGMWJGUDECTL-INIZCTEOSA-N 457.604 2.017 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCCn1ccnn1)[C@@H]1CCS(=O)(=O)C1 1286382513 AXYWKQGQTSHZSR-LEWJYISDSA-N 497.625 2.343 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1286634589 YPCFQOVVGKPTCE-OWCLPIDISA-N 450.971 2.422 30 10 JEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(CN3CCC(O)CC3)cc2)CC1 1286637630 JALKMRDRHJQBIX-IBGZPJMESA-N 488.658 2.050 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCS(=O)(=O)CC1)C(C)C 1286750534 CHIATYVEYRBUOR-WOJBJXKFSA-N 451.637 2.106 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1286778511 BOUYVECMEZZJOT-BBTUJRGHSA-N 482.585 2.176 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1286789949 AQKBBQLPFISDCG-JQFCIGGWSA-N 467.448 2.249 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1286819361 HYGAHZVVBRLEPO-GOSISDBHSA-N 474.631 2.380 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ccccc2C#N)CC1 1286820569 NJABCEZBWKXKKP-NRFANRHFSA-N 470.599 2.319 30 10 JEEE C=CCS(=O)(=O)CCn1c(N(C)[C@@H]2CCCc3c2cnn3C)nnc1[C@@]1(OC(C)C)CCOC1 1286823736 QCUDJQWDRRWNAH-AUSIDOKSSA-N 492.646 2.167 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1300283581 NNQSILDDZUWZLI-PXNSSMCTSA-N 453.547 2.254 30 10 JEEE C#CCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC1(OCCOC)CCOCC1 1300432335 HLXHETJSQXSICF-UHFFFAOYSA-N 455.559 2.429 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1Cc1snnc1C)[C@H]1CCS(=O)(=O)C1 1300503977 HRCOUPOFHFNBFI-KRWDZBQOSA-N 472.596 2.000 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1cc(C)on1)[C@@H]1CCS(=O)(=O)C1 1300504135 KBDKNISAVKKOLN-GUDVDZBRSA-N 461.588 2.168 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1Cc1ccc(C)n(C)c1=O 1300511548 LFWSBEKYMZMTGF-UHFFFAOYSA-N 461.522 2.099 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1300683970 VGLRURJELHFSKX-XLIONFOSSA-N 454.550 2.227 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCC2(O)CCOCC2)CC1 1300716493 MUKKJTPANWAPEC-LJQANCHMSA-N 499.587 2.455 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCn1ccnn1 1300805921 LIOBMIHYSPXOCK-WZONZLPQSA-N 470.578 2.260 30 10 JEEE C=C(C)Cn1c(Cc2ccsc2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1300958834 SQLANHBBYNNHQU-GOSISDBHSA-N 451.618 2.137 30 10 JEEE C=C(Cl)Cn1c(N2CCCN(Cc3noc(C)n3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1301061946 ZNWFIIUGYFADSY-NRFANRHFSA-N 465.986 2.475 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(C)n3)n2Cc2cccc(S(=O)(=O)NC)c2)C1 1301554068 BTGQJTPQOPZYFA-LJQANCHMSA-N 468.583 2.386 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCCOCC1 1301596705 WSBVWARRZRYMPK-KRWDZBQOSA-N 469.608 2.178 30 10 JEEE CC(=O)N1CCN(CCn2c(-c3ccc(C#N)cc3)nnc2N2C[C@H](C)S[C@H](C)C2)CC1 1301763122 CSDOSHFALOWIOR-HDICACEKSA-N 453.616 2.311 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCCN(C)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1358964184 VDNQFQHJRXAZAQ-RBUKOAKNSA-N 495.646 2.056 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2C[C@H](N2CCOCC2)C(F)(F)F)CC1 1359037080 UVEJTLSACCKENQ-FQEVSTJZSA-N 480.510 2.026 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Nc2cnn([C@@H]3CC3(F)F)c2)nnc1[C@@H](C)NS(C)(=O)=O 1359106159 YGVPYRPNSYMFFY-XOUADPBQSA-N 471.534 2.390 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 1359296879 XNHRZXUUBOSDFC-KRWDZBQOSA-N 484.557 2.422 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CCC)Cc1ccc(F)cc1F 1359301080 RFFFRIKHPOHTKI-INIZCTEOSA-N 467.542 2.177 30 10 JEEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCO[C@H](c2ccc(F)cc2F)C1 1359335587 PGUDMJIRDRKEJS-SFHVURJKSA-N 456.515 2.272 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H](C(=O)OC)C1 1359336344 MNRSPIDCDONPDB-RCCFBDPRSA-N 468.620 2.187 30 10 JEEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)C1CCN(C(=O)OCC)CC1 1464519167 XEFYPRZYCKERLK-UHFFFAOYSA-N 457.593 2.272 30 10 JEEE CCCNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1501154115 BEFUYGSRXJJGEV-NRFANRHFSA-N 463.586 2.476 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2C[C@@H](C)CN2CCOCC2)c1 1507548628 BOWUQEIOVFQCSD-FQEVSTJZSA-N 473.581 2.365 30 10 JEEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1cccnc1OCC(F)F 1507610583 GEVJQGZPOLDOME-UHFFFAOYSA-N 465.464 2.349 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1507629919 XXIHSOKHXBELKG-MOPGFXCFSA-N 474.583 2.158 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1ccc(F)cc1F)[C@H]1CCS(=O)(=O)C1 1507634055 IOFVTYAMWYJLJN-IBGZPJMESA-N 457.506 2.217 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCCO2)n1C[C@@H]1C[C@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1507714339 NBYZKXBARXJFOD-LWYYNNOASA-N 475.590 2.240 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCC=C(C)C)CC1 1507717695 FWJVWZPNMDXGFI-UHFFFAOYSA-N 456.616 2.307 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCN2CCCC[C@@H]2CC)CC1 1507736468 PTZQQSVUCPFDAF-NVQXNPDNSA-N 486.661 2.161 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(F)c(F)c2)CC1 1507740847 PWUCPXNSJKKCJE-UHFFFAOYSA-N 467.524 2.432 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)cc(OC)c2)n1CCCNS(=O)(=O)CC 1507764384 OWAFZNFQDICAMZ-JOCHJYFZSA-N 461.588 2.284 30 10 JEEE C=CCCCn1c(-c2cccnc2)nnc1N1C[C@@H]2[C@@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1507945088 AWFPQXDDRNRSNI-QYZOEREBSA-N 488.614 2.433 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@](C)(C(=O)NC)C1 1508071938 BSCVCGDSHQVROP-UUOWRZLLSA-N 454.575 2.300 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC(CC(=O)NC)CC1 1508095047 RTISWNBYSMXNLB-UHFFFAOYSA-N 460.966 2.165 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1508143124 DTAVCMADTUQIKV-CSODHUTKSA-N 466.629 2.304 30 10 JEEE C=CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@](C)(C(=O)NC)C1 1508162983 SQKVPHRRJUVVOT-QHCPKHFHSA-N 470.647 2.334 30 10 JEEE CC(=O)N1CCN([C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCCOC(F)F)C[C@@H]2C)CC1 1508273146 OPCMPIYLTXMBDJ-LAUBAEHRSA-N 487.555 2.435 30 10 JEEE CCOC(=O)N(C)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N2CCOCC2)CC1 1516036942 BSVLVMQXTKYNMW-UHFFFAOYSA-N 495.584 2.123 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(N2CCOCC2)CCSC1 1539029588 KJIOKFMZTROTEN-NTKDMRAZSA-N 466.611 2.395 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc(Cl)nc3)n2C[C@@H]2COCCO2)c1 1539040530 VOMCSNIVXVXDMR-LJQANCHMSA-N 466.929 2.465 30 10 JEEE C#CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 1539067580 IAJASTJPPYTVPV-KRWDZBQOSA-N 470.599 2.255 30 10 JEEE C#CCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1539094338 OHQAGZNFXNMMIK-IBGZPJMESA-N 482.560 2.242 30 10 JEEE C#CCN(c1nnc(-c2ccc(OCC)c(OC)c2)n1CCN1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 1539211510 MTDDFRIHRBVMJI-OAQYLSRUSA-N 499.637 2.241 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCCN1CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1539231797 WMUXIOKVIFCNMS-QHAWAJNXSA-N 463.648 2.268 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(Br)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1539242668 ZTNPTXIPLKIWSX-VZCXRCSSSA-N 479.338 2.307 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H]1CN(CC(C)C)CCO1 1539251625 KYYUXTSRPBKIAZ-OAQYLSRUSA-N 451.571 2.392 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1CCOCC1 1539299052 DPBSZWNEOIVVNU-UHFFFAOYSA-N 454.600 2.436 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(Br)c2)n1CC1(S(C)(=O)=O)CC1 1539401295 ZKRJKSQPZRCPMP-UHFFFAOYSA-N 467.389 2.371 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC(O)(CC)CC)CC1 1539474816 ZYTCIAGQWAYCQP-UHFFFAOYSA-N 469.586 2.479 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](C)c2cccc(C)c2)CC1 1539488081 GQQWNUVVGQHJHC-FQEVSTJZSA-N 462.598 2.478 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2CC2CCN(C(C)=O)CC2)CC1 1539490332 UZONBCUUQYFDHJ-UHFFFAOYSA-N 496.587 2.221 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1CC(F)(F)CNC(=O)OC(C)(C)C 1539556106 KBORLEFMVDBSQJ-JLTOFOAXSA-N 452.506 2.381 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(N2CCN(C)C(=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1539643908 YDZTTZORDAYHGG-PNYFIKQUSA-N 474.606 2.308 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCCO1 1540180400 MZHAUGDAOLGBKF-VXKWHMMOSA-N 489.642 2.415 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1Cc2cc(Br)ccc2[C@@H](C)C1 1540869723 VACFHDMDIVFWBE-SUMWQHHRSA-N 473.375 2.418 30 10 JEEE CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(CCOC)CCCC2)CCO1 1554451429 GZLIQPAKKAAHRE-NRFANRHFSA-N 482.585 2.277 30 10 JEEE C#CCN(CC(=O)c1c(N)n(Cc2ccccc2)c(=O)n(C)c1=O)[C@@H]1CCCc2ccccc21 1560172464 XTSUMYUHWQCZRZ-JOCHJYFZSA-N 456.546 2.373 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2ccccc2Cl)C1 1587861489 MTYWJOIYBYHIGY-PMACEKPBSA-N 494.017 2.256 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccc(CN2CCC(O)CC2)cc1)[C@H]1CCS(=O)(=O)C1 1588030288 SBOKOYAJFKPPDN-QFIPXVFZSA-N 499.681 2.207 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@@H]1CCCN1CC)[C@@H]1CCS(=O)(=O)C1 1588070006 VFFHHZNKSXOXAJ-VQTJNVASSA-N 475.590 2.107 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H](N1CCOCC1)C(F)(F)F 1588113958 WWBVRWHAVUUNSD-HXUWFJFHSA-N 477.487 2.298 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(C)c(Br)c2)n1CC(=O)NCC(F)F 1588604271 FLEZVBLNIQXGFS-UHFFFAOYSA-N 470.318 2.483 30 10 JEEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCSC(CC)(CC)C1 1593746491 GRLBIRCNEMKZJY-GOSISDBHSA-N 487.692 2.316 30 10 JEEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(=O)C(C)C)CC1 1594456015 XKDLRABVUBMOMK-INIZCTEOSA-N 454.641 2.232 30 10 JEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1594626241 KSZFIOWWJGWTDT-PMACEKPBSA-N 477.635 2.314 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](c2ccc(F)c(F)c2)C1 1595607982 NZSKWHIORZJPCT-LRQRDZAKSA-N 477.512 2.160 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N(C)C[C@H]1COc2ccccc2O1 1595784524 HZSZBENZLQSRPX-KRWDZBQOSA-N 455.540 2.217 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CC)Cc1c[nH]c2ccccc12 1595799393 ZPWRZDYYGLWJMK-QGZVFWFLSA-N 491.639 2.289 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCOC2(CCCCC2)C1 1595838006 IMHNEOQICQGXGY-OALUTQOASA-N 468.620 2.142 30 10 JEEE CC(C)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2([S@](C)=O)CC2)[C@H](C)C1=O 1607485022 DXQHTJHMHMNISM-IAQAZVPISA-N 454.600 2.421 30 10 JEEE C=CC[C@H](NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Br)C(=O)OCC 1611408346 LEBSNQKPYFSQTL-INIZCTEOSA-N 459.362 2.471 30 10 JEEE CCS(=O)(=O)N(C)CCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@@](F)(C#N)C1 1617347559 AUACSGDZLMTXLM-JOCHJYFZSA-N 486.577 2.244 30 10 JEEE C#CCOc1ccccc1CNC(=O)CCNS(=O)(=O)c1cccc(Br)c1 1629275172 YMNSBQCYFJFTHU-UHFFFAOYSA-N 451.342 2.446 30 10 JEEE C=CCn1c(S)nc2cc(C(=O)N3CCOC34CN(C(=O)OC(C)(C)C)C4)ccc2c1=O 1648872458 BHXIPNPOQNQTLV-UHFFFAOYSA-N 458.540 2.291 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H](OC)C(C)C)[C@H]1CCS(=O)(=O)C1 1689978314 SAPXSDNEPGTUGJ-LEWJYISDSA-N 487.626 2.445 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1Cc1ccc(OC)nc1OC)[C@H]1CCS(=O)(=O)C1 1689992284 IZPCBABDBDJRQH-IBGZPJMESA-N 499.568 2.095 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(Br)s2)n1C[C@H]1CCS(=O)(=O)C1 1690008153 XHZIXAVAWJWVAI-CYBMUJFWSA-N 453.387 2.277 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Cl)n2CCNC(=O)C(C)C)CC1 1690140117 MLFQFTIJOKVNGP-UHFFFAOYSA-N 456.978 2.337 30 10 JEEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1690160081 WPPPISZSGHHOOG-SFHVURJKSA-N 489.667 2.408 30 10 JEEE C#CCSCCn1c(N2CC[C@H](Cc3cnn(C)c3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1690186440 QHTGMZCKQXBJNS-AUSIDOKSSA-N 458.632 2.488 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@H](C(N)=O)C1 1690237421 YPSLCWKMJHXGMB-BJLQDIEVSA-N 452.559 2.440 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1690242636 AFROVTPGNWRSOR-DENIHFKCSA-N 455.607 2.245 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)NCCCC)CC1 1690245828 NKGPOHOIICJOPS-ACRUOGEOSA-N 493.674 2.294 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1690675943 KMCVJPIDMKZLHH-SFHVURJKSA-N 472.977 2.404 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2c(F)cccc2F)C1 1690686234 KWPOHNJRIGPYMI-GJZGRUSLSA-N 455.531 2.191 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3Br)n2CCS(=O)(=O)N(C)C)C1 1690691347 BXFPKPVDDXXDSJ-HNNXBMFYSA-N 484.420 2.380 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1690720215 BJFRMRGURHPMPG-SFHVURJKSA-N 480.034 2.358 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1CCCn1cc(CO)nn1 1705479282 GXTNXISAJYRTCK-CYBMUJFWSA-N 462.327 2.479 30 10 JEEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2CC2(O)CCN(C(C)C)CC2)CC1 1705641515 ISTRUJXVRFLUFY-UHFFFAOYSA-N 480.657 2.062 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2CCC(=O)N2CCCCCC2)CC1 1705643249 YBMWOVCCFJUGSD-UHFFFAOYSA-N 480.613 2.414 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCCN(CC(C)C)C2)CC1 1705768958 FCRRRGUZGOYOKA-NHCUHLMSSA-N 480.679 2.135 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC[C@@H](CN2CCC(C)CC2)C1 1705932686 YCFAFNCROICECV-FQEVSTJZSA-N 473.647 2.284 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCCC[C@H](SC)C2)nnc1[C@]1(OCC)CCOC1 1705938818 JYVVEFXQEGLFGC-PXNSSMCTSA-N 458.650 2.253 30 10 JEEE CCCCN(C)C(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(C)(=O)=O)CC1 1709587729 FSXFKIHZSTXXRR-UHFFFAOYSA-N 472.615 2.336 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(C)CCC2)c1 1722310611 XOYJDHOVTPFSPI-SFHVURJKSA-N 455.584 2.427 30 10 JEEE C#CCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1722328134 MARZJOZCJISHSB-XMMPIXPASA-N 461.614 2.461 30 10 JEEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H](C)O[C@H](C)C1 1722453886 FWIFAZHSSPKGCL-IAGOWNOFSA-N 463.629 2.175 30 10 JEEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cccc(C#N)c1 1722477599 HZKYCJVWFDTWEM-ZDUSSCGKSA-N 453.366 2.305 30 10 JEEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@H]1C(C)C 1722689104 PWDFPIIJJHAJES-KRWDZBQOSA-N 459.620 2.474 30 10 JEEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC[C@@H]1c1nncn1C 1722698106 CEXCIDFJUOVWPE-GOSISDBHSA-N 499.620 2.165 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2C[C@](C)(O)CCOC)C1 1722713923 KBBRRDYNEUPACJ-WAIKUNEKSA-N 454.531 2.163 30 10 JEEE C=CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1722738537 KPONYHFHBMXGQB-RTWAWAEBSA-N 470.643 2.440 30 10 JEEE CCS(=O)(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cc(C)no2)CC1 1729216396 FBUHPBFKLDYIBJ-UHFFFAOYSA-N 455.544 2.070 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1CCNS(=O)(=O)CC 1740540299 VDDKGITZPHRICT-ZDUSSCGKSA-N 470.393 2.113 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCCO3)n2C[C@@H]2NC(=O)CC2(C)C)c1 1740562304 IHSWEVVXNPUPEM-UXHICEINSA-N 464.570 2.491 30 10 JEEE C#CCN(c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCC=C(C)C)[C@@H]1CCS(=O)(=O)C1 1740622701 HAWIWFVRJSOGHD-GOSISDBHSA-N 480.594 2.175 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H](N1CCOCC1)C(F)(F)F 1740630499 KFQJEKQNSNUOCA-FQEVSTJZSA-N 477.487 2.298 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(C)nc3ccccc23)n1CC1(O)CCS(=O)(=O)CC1 1740646592 FOFSXXIVSZOCLP-UHFFFAOYSA-N 477.590 2.204 30 10 JEEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 1740714999 BGTAXTFVMPANNQ-UHFFFAOYSA-N 483.623 2.003 30 10 JEEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1740749851 GFFNBIGBBDVNFV-QGZVFWFLSA-N 467.412 2.173 30 10 JEEE C=C(Cl)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1740821655 ICBCPVVOXSYNCC-JKSUJKDBSA-N 490.026 2.352 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](c2cccs2)N(C)C)CC1 1740840357 WPTTXLBAYOYUGK-RBUKOAKNSA-N 494.687 2.378 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](C)C1 1740993159 YXBKRJFEUMUBJK-IAGOWNOFSA-N 469.608 2.034 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccnc(N2CCCCC2)c1 1741131974 IECYUWQHRKDRJW-PKOBYXMFSA-N 457.604 2.210 30 10 JEEE Cc1cccc(OCc2nnc(N3CCN(c4ccc(C#N)cn4)CC3)n2CCCS(C)(=O)=O)c1 1742362740 HCBMOXGNBVVARE-UHFFFAOYSA-N 495.609 2.194 30 10 JEEE C[C@H]1CN(CCCn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@](C)(C(N)=O)C2)CCCO1 1743335340 BEASALBOSQWQSG-MHECFPHRSA-N 451.575 2.019 30 10 JEEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@]2(C)CCCS2)c1 1747602065 CTZWOKPCINIJNB-UTKZUKDTSA-N 476.628 2.210 30 10 JEEE C#CCCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N(C)CC(=O)N1CCOCC1 1748712441 HLHJPMYMQFIZKG-UHFFFAOYSA-N 491.596 2.164 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@@](C)(O)CCC)[C@@H]1CCS(=O)(=O)C1 1748804437 HSZXLPKZDQHSRY-BEFAXECRSA-N 484.420 2.214 30 10 JEEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1Cc1cnn(C)c1C)[C@H]1CCS(=O)(=O)C1 1748820712 HYWMCPNHJRBGQF-NRFANRHFSA-N 482.610 2.191 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1(COC)CCOCC1 1748868733 GLFWNZIMDHQWRU-UHFFFAOYSA-N 498.653 2.453 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1cccnc1OCC 1748887178 WSPBUJDGVBUCNJ-UHFFFAOYSA-N 467.533 2.497 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCCCN1C1CC1 1748950929 QKBKTNWUCBIXTE-NRFANRHFSA-N 471.627 2.452 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OCC)n2C[C@@H]2CCCO2)CC1 1749019165 NGANCLOQWYHDQX-FQEVSTJZSA-N 467.570 2.401 30 10 JEEE C=CC[C@H](Cn1c(C(C)C)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1)c1ccccc1 1749382658 OGVPDUQANHJHGJ-HXUWFJFHSA-N 478.601 2.228 30 10 JEEE C=CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1749617867 VUOUWMISAXGFPC-UHFFFAOYSA-N 482.585 2.089 30 10 JEEE C=CCSCCn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1749758345 OOUWMXHVUJXIFJ-UHFFFAOYSA-N 474.606 2.100 30 10 JEEE C=CCSCCn1c(Cc2ccccc2OC)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1749758747 WXUKHBDXYPBSGO-UHFFFAOYSA-N 467.599 2.383 30 10 JEEE CC(=O)N1CCN(CCn2c(-c3ccc(Cl)nc3)nnc2N2CCC[C@@](C)(C#N)C2)CC1 1749885909 XYGQCKBWOYFAAP-QFIPXVFZSA-N 456.982 2.288 30 10 JEEE C[C@H]1C[C@@H](C)CN(c2nnc(-c3cccc(C#N)c3)n2CCNS(=O)(=O)Cc2ccon2)C1 1752003154 HSSMFTKEFIURDO-CALCHBBNSA-N 469.571 2.407 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1CCN1CCN(C(C)=O)CC1 1760103181 ZXRDAVUBBDWWPK-HNNXBMFYSA-N 477.382 2.469 30 10 JEEE C#CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1760135270 PCLVFXDWSQQSIR-LJQANCHMSA-N 492.605 2.105 30 10 JEEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCC(Nc2cc(OCC)ncn2)CC1 1760157125 FEFGSTZKJUIDGX-UHFFFAOYSA-N 452.563 2.084 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCCN1CC)[C@@H]1CCS(=O)(=O)C1 1760183290 NZPTWXNWXNVCJV-FCHUYYIVSA-N 466.611 2.318 30 10 JEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCO[C@H]1C(=C)C 1760200937 YAWDICOTTDCZIO-ICSRJNTNSA-N 452.584 2.292 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(Cl)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1760245254 XGLTYHFMANINBG-VZCXRCSSSA-N 454.918 2.211 30 10 JEEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1760281754 QZROFOXBCXZJBV-FQEVSTJZSA-N 474.675 2.109 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2F)n1CCS(=O)(=O)N1CCSCC1 1760296290 PJSVGIGCNHLJIB-JOCHJYFZSA-N 477.631 2.379 30 10 JEEE C=CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1760458432 GIQRRJWLELHOKB-ROUUACIJSA-N 451.579 2.431 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(Cc2cc(C)ccc2OC)CC1 1760555808 OAKLKEHHPRBGCR-HXUWFJFHSA-N 489.642 2.022 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCC(=O)NC1CC1 1761362697 GXIAELRHWMMVMV-KRWDZBQOSA-N 451.579 2.249 30 10 JEEE C[C@@H]1COCCN1CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(C)(C)C)CC1 1763231965 AWYAEJCVOZLXLD-HXUWFJFHSA-N 467.618 2.370 30 10 JEEE CN(C)c1cccnc1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CC(N)=O)CC1 1768498367 CTWKCDWUSNMVAJ-UHFFFAOYSA-N 474.569 2.330 30 10 JEEE N#Cc1cccc(NC(=O)c2nc(C(=O)N3CCN(c4ncccn4)CC3)c3ccccn23)c1 1858242383 YNRSJYLXTKRAQU-UHFFFAOYSA-N 452.478 2.211 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCNC(C)=O)[C@@H]2c2ccccc2[N+](=O)[O-])cc1OC 1862574313 IQTLNXNREUARQY-HXUWFJFHSA-N 469.450 2.326 30 10 JEEE CC(=O)Nc1ccc(NC(=O)[C@@H](CO)NC(=O)C2CCN([C@H](C#N)c3cccs3)CC2)cc1 1866866051 CMFDRIOCQMMLSG-WOJBJXKFSA-N 469.567 2.099 30 10 JEEE C=CCn1cc(OCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)c(=O)cc1CSCCO 1870227157 VVFFIWYLQBOTOE-UHFFFAOYSA-N 477.608 2.317 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCc2ccccc2)cn1CCCN1CCOCC1 1870393741 WFQDOWFHWQYEBW-UHFFFAOYSA-N 494.636 2.440 30 10 JEEE COc1cc(Br)cc(/C=N/n2c(SCCO)nnc2[C@@H]2CC(=O)N(C(C)C)C2)c1O 1874341132 BXQQBOSFPRXGIE-FCQRQVBFSA-N 498.403 2.446 30 10 JEEE COCc1nnc(SCC(=O)NCc2ccccc2)n1/N=C/c1cc(OC)c(O)c(OC)c1 1874506146 PHXSKDHEYSUESQ-WYMPLXKRSA-N 471.539 2.438 30 10 JEEE CN(CC#CCNC(=O)C1CN(c2nc3ccc(S(C)(=O)=O)cc3s2)C1)Cc1ccccc1 1890609221 WWTUUPYQWTWYQV-UHFFFAOYSA-N 482.631 2.388 30 10 JEEE CO[C@@H](c1cncc(B2OC(C)(C)C(C)(C)O2)c1)[C@@H](NC(=O)OCc1ccccc1)C(=O)O 1952694933 CCCDMCRNZYDUAK-MOPGFXCFSA-N 456.304 2.448 30 10 JEEE CN(C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1)[C@@H]1CC[C@@H]1NC(=O)OCc1ccccc1 2255821001 XLKQBISTODRJHY-PKOBYXMFSA-N 468.363 2.249 30 10 JEEE Cc1cc(CNC(=O)CN(CCO)C(=O)OC(C)(C)C)sc1B1OC(C)(C)C(C)(C)O1 2256624803 PGFQXJDZDLMUFE-UHFFFAOYSA-N 454.398 2.201 30 10 JEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2267241189 KLNGFHMBPGXFTC-LSDHHAIUSA-N 467.397 2.197 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CC[S@@](=O)(=NC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2267587296 VQLZNYFUUALIDA-BYLKAPHFSA-N 465.381 2.286 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C[C@@H]1CCO 2267590234 MJHYZJKEKGFFBY-HNNXBMFYSA-N 466.409 2.491 30 10 JEEE COc1ccc(S(=O)(=O)NCCN(C)C(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2267721639 SJFFPAFZWWQOPI-UHFFFAOYSA-N 470.397 2.140 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@]1(CO)C(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)cs1 2268637332 BSCVPCBTHPJUSV-QFIPXVFZSA-N 466.409 2.426 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@H](C(=O)N3CCC[C@H](B4OC(C)(C)C(C)(C)O4)C3)O[C@H]2C1 2279909630 TWJUVQQGEKSBLV-XLAORIBOSA-N 466.384 2.475 30 10 JEEE Cc1c(C(=O)N2CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281803010 RLHNNHJCMZUQGJ-HZPDHXFCSA-N 462.400 2.403 30 10 JEEE CN(Cc1ccccc1)C1(CNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CCOCC1 2281988391 LQLMAYLOQSMHQK-UHFFFAOYSA-N 454.380 2.120 30 10 JEEE CCc1nn(C)c(C(=O)NC[C@@H]2CCCN2C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2281993145 WWPSDLYZDNMKAH-HNNXBMFYSA-N 462.400 2.411 30 10 JEEE Cn1nc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2F)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2282044272 SJFPRSNJYWWIAT-STQMWFEESA-N 486.781 2.450 30 10 JEEE CCn1cc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC23CC3)nc1B1OC(C)(C)C(C)(C)O1 2282044452 UKDYQCNGCYHJIF-INIZCTEOSA-N 460.384 2.332 30 10 JEEE C[C@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)C[C@@H](C)N(C(=O)OC(C)(C)C)C1 2282044951 SQRYJKRTEKCPFF-JKSUJKDBSA-N 462.400 2.437 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2[C@H](NS(=O)(=O)Cc3ccc(B4OC(C)(C)C(C)(C)O4)cc3)[C@H]2C1 2282498052 YJFLSWZFYGNIGO-BWTSREIZSA-N 478.420 2.271 30 10 JEEE Cn1ncc(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 2282523595 ADLFZUYYEGFXTH-USXIJHARSA-N 460.384 2.237 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](CO)[C@H](NC(=O)c2occc2B2OC(C)(C)C(C)(C)O2)CC1 2282531097 DVGMURLARKPGFK-DOTOQJQBSA-N 464.368 2.317 30 10 JEEE CC1(C)OB(c2c[nH]c(C(=O)N3CC[C@@H]4OCCN(Cc5ccccc5)[C@@H]4C3)c2)OC1(C)C 2282622765 KRYVBKKWLZKRNR-YADHBBJMSA-N 451.376 2.429 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@](CO)(NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2282665419 QBLPLONTBNLQNM-DEOSSOPVSA-N 460.380 2.478 30 10 JEEE CC(C)(C)OC(=O)N1CC(N2CCN(C(=O)c3sccc3B3OC(C)(C)C(C)(C)O3)CC2)C1 2282666339 WPKIFSSXZLQBEJ-UHFFFAOYSA-N 477.436 2.424 30 10 JEEE CN(C[C@H]1CCCN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1)C(=O)OC(C)(C)C 2283067888 GZCJKGZNBQRQJF-MRXNPFEDSA-N 460.384 2.495 30 10 JEEE COC(=O)[C@H](CC(=O)N(C)Cc1cc(B2OC(C)(C)C(C)(C)O2)cs1)NC(=O)OC(C)(C)C 2283944032 HZQDIJPJMKMXFZ-INIZCTEOSA-N 482.408 2.462 30 10 JEEE C[C@H](c1cscc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)CNC(=O)CNC(=O)OC(C)(C)C 2283952200 FXXSLCSCZPPOMN-CQSZACIVSA-N 481.424 2.208 30 10 JEEE CC[C@@](COC)(NC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)c(C)n1 2283965648 SVIVLUMWYRJTJU-QFIPXVFZSA-N 464.372 2.343 30 10 JEEE CN(CCNC(=O)OC(C)(C)C)CC(=O)N(C)Cc1ccccc1B1OC(C)(C)C(C)(C)O1 2284042979 WXTPNFVZPLEBLO-UHFFFAOYSA-N 461.412 2.401 30 10 JEEE CC(C)(C)N1C[C@@H](c2nnc(SCC(N)=O)n2N=Cc2cc(Br)ccc2O)CC1=O 2327842629 RBWLWGXWBUBRBZ-LBPRGKRZSA-N 495.403 2.320 30 10 JEEE COCCc1nnc(SCC(=O)NCc2ccccc2)n1N=Cc1ccc(O)c([N+](=O)[O-])c1 2331310948 YPCLQOWIHXJVOP-UHFFFAOYSA-N 470.511 2.372 30 10 JEEE Cc1ccc(Cn2nnc3c(=O)[nH]c(C4CCN(S(=O)(=O)c5ccccc5C#N)CC4)nc32)cc1 20463113 DREHAWNKHYTPRF-UHFFFAOYSA-N 489.561 2.311 30 10 JEEE NS(=O)(=O)c1ccc(NC(=O)C[C@@H]2S/C(=N\C34CC5CC(CC(C5)C3)C4)NC2=O)cc1 72434765 CNWLHZNSLJEIIT-CQMMPMSNSA-N 462.597 2.219 30 10 JEEE CO/N=[N+](\[O-])CC(=O)N1[C@H](c2ccc(OC)cc2)N(S(=O)(=O)c2ccc(C)cc2)C[C@H]1C 103936578 VXGNBBQVVVHENN-VYKUPOCTSA-N 462.528 2.448 30 10 JEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCCN3C[C@@H](C)C[C@@H](C)C3)nnc12 107628596 DEWBGGZFMAMVQN-CALCHBBNSA-N 454.600 2.416 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)[C@H](C)[S@@](=O)[C@H](CC)C(=O)OCCOCC)cc21 586354809 FSNVWZILQCJCEB-CTEKPRAUSA-N 451.541 2.276 30 10 JEEE CCCCOc1ccc(C=NOCC(=O)N2CCN(C(=O)c3ccc(O)nc3)CC2)cc1OC 729362501 CTBBVIDLRSCWSC-UHFFFAOYSA-N 470.526 2.310 30 10 JEEE C#CCOc1cccc(NC(=O)C(=O)N2CCN(C(=O)COc3ccc(Cl)cc3)CC2)c1 731125998 PIJZSWMOSSLRQE-UHFFFAOYSA-N 455.898 2.040 30 10 JEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)C[C@H](NC(C)=O)c2ccc(OC)cc2)c1 749505372 QIAFOZHOGQFGKL-DEOSSOPVSA-N 463.534 2.136 30 10 JEEE C#CCN(CC(=O)O)C(=O)CCOCCNC(=O)OCC1c2ccccc2-c2ccccc21 757269578 NDBMRQOSSBJMGN-UHFFFAOYSA-N 450.491 2.478 30 10 JEEE C=CCOc1ccc(CC(=O)N2CCN(CCNS(=O)(=O)c3ccc(C)cc3)CC2)cc1 1136664636 KZOGWVDLHDZKFZ-UHFFFAOYSA-N 457.596 2.225 30 10 JEEE C#CCCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1286316993 AHBRMNYXMPVPIN-GOSISDBHSA-N 466.542 2.239 30 10 JEEE C#CCN(c1nnc(C(C)C)n1C[C@H](C(CC)CC)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1286386216 WPKLXYPUNGQKQF-LEWJYISDSA-N 465.664 2.165 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCN1CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1286389592 MWNVWOQWPRFOKE-QUCCMNQESA-N 456.616 2.007 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCc1c[nH]nc1C 1286420356 DISVWZABZMXPKW-UHFFFAOYSA-N 450.568 2.476 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(F)cc2Br)n1C[C@@H]1COCCO1 1286464050 ZELQNUJUQFASIK-OAHLLOKOSA-N 453.312 2.348 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2Cc2cc(OC)c(OC)c(OC)c2)CC1 1286480709 PIAKOEWKLNPRGN-LJQANCHMSA-N 455.559 2.349 30 10 JEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1286503911 HCNYBDPBEDMEKI-IAGOWNOFSA-N 462.620 2.289 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C)cc2)CC1 1286509575 UACSHRJQQRNODK-LJQANCHMSA-N 459.641 2.182 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2ccc(O)cc2C1 1286545854 CGAAPLZQSBKMRF-KNBMTAEXSA-N 461.588 2.138 30 10 JEEE C=CCN(CCOC)c1nnc(-c2ccccn2)n1CC(=O)N1CCN(c2ccccc2)CC1 1286767547 WLFZWPHGKMZRHU-UHFFFAOYSA-N 461.570 2.328 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCCN2C2CCCCC2)C1 1286800543 MSEXVUQDPIDYQD-CEWLAPEOSA-N 480.679 2.467 30 10 JEEE Cc1nnc(Cn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N(C)[C@H](C)CC#N)s1 1290695295 CVFPAOWWZWSZRA-CYBMUJFWSA-N 460.589 2.142 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1CC(C)(C)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1300487542 KMCQZAQRILBUNC-LJQANCHMSA-N 458.632 2.175 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCO[C@@H]1CCCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1300506181 OKTCTWHDUSHZIE-VNTMZGSJSA-N 450.605 2.352 30 10 JEEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(c2ccc(OC)cc2)CCC1 1300509449 LSKALFOUFCFYEG-SFHVURJKSA-N 455.584 2.092 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1300644459 WKRLFCVJBNDGHZ-MSOLQXFVSA-N 480.635 2.091 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCOC3)n2Cc2sc(C)nc2C)n1 1300681313 MPCCWOGQYSHJHT-SFHVURJKSA-N 455.588 2.386 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@H]2CCCCS2)CC1 1300689501 WPIYTTGRDCXULP-HXUWFJFHSA-N 488.683 2.236 30 10 JEEE C=C(C)COCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1300981311 XPOOFXXUYOEWJG-SFHVURJKSA-N 462.572 2.322 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC=CCO1 1301403549 ZXQSBRUDTJCSPT-FGZHOGPDSA-N 487.626 2.191 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2cnccn2)cc1 1301527581 YWBVAWSRUQRUFQ-GOSISDBHSA-N 454.556 2.220 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)c2ccccc2)C1 1301556701 JAJQGEZLJYIIGO-HMXCVIKNSA-N 475.615 2.196 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1301576904 IKOXRIMNITULPQ-KNQAVFIVSA-N 473.643 2.265 30 10 JEEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C 1303640091 HQUHFCMYLAYATR-XWSJACJDSA-N 482.651 2.191 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N(CCC#N)CC2CC2)n1C[C@H]1N(C)CCCC1(C)C 1303818472 CEPKZQWYVYGMBL-FUHWJXTLSA-N 451.641 2.139 30 10 JEEE C=CCNC(=O)c1cccc(S(=O)(=O)N(C)[C@@H]2CS(=O)(=O)c3ccc(Cl)cc32)c1 1309336219 ZIOXQPIWEPNAGL-QGZVFWFLSA-N 454.957 2.405 30 10 JEEE COCCC1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(S(C)(=O)=O)CC2)CCCC1 1315978754 DFCNQMJKUUHMOO-UHFFFAOYSA-N 472.615 2.495 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1nnnn1CC1CC1 1358887795 CAQWVHZNYAZMMU-FUHWJXTLSA-N 469.594 2.295 30 10 JEEE C#CCCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN2C(=O)NC[C@H]2C1 1358912777 YLUILXAMOJUNDG-OALUTQOASA-N 471.606 2.410 30 10 JEEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1CCC(OC)CC1)[C@@H]1CCS(=O)(=O)C1 1358957330 SQUSAJFJKHHRQE-VEPLXINESA-N 494.658 2.151 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCCSc1nccs1)[C@H]1CCS(=O)(=O)C1 1358963970 QQFHKHUCDCXMFN-IRXDYDNUSA-N 481.669 2.438 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(Br)cc2)n1CC(=O)N1CCOCC1 1358988512 SACQTRDHNBTBMW-UHFFFAOYSA-N 456.344 2.029 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccc1F 1359099944 VBKNHSDXZDZKKA-TYPHKJRUSA-N 493.605 2.368 30 10 JEEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCCOc1ccc(S(C)(=O)=O)cc1 1359121662 BATRNIAKNBRHCU-QGZVFWFLSA-N 482.628 2.065 30 10 JEEE C=CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCO[C@H](C(=O)NC)C1 1359214291 YLFQMHKCHBGTOJ-IBGZPJMESA-N 465.558 2.153 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nccs1 1359263656 ILCVEQWAJLAKAY-INIZCTEOSA-N 480.641 2.370 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC(Oc2c(OC)cccc2OC)CC1 1359300752 JKOWOUHMLUJGLE-KRWDZBQOSA-N 471.558 2.149 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(C)(C)N2CCC[C@H](C)C2)C1 1359313297 JUUGARZUJGEDAP-IPMKNSEASA-N 468.668 2.180 30 10 JEEE C[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(O)(C(F)(F)F)CC1)N1CCOCC1 1360583541 GCFJJUZAAGUNOZ-KRWDZBQOSA-N 494.518 2.343 30 10 JEEE C#CCNC(=O)C1CCN(C(=O)c2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)CC1 1436030111 RUDSASRIDJFROM-UHFFFAOYSA-N 453.564 2.422 30 10 JEEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)NCc2ccc(S(=O)(=O)CCO)cc2)n1 1465987883 GSACXHSOJZBMQJ-UHFFFAOYSA-N 459.915 2.485 30 10 JEEE C#CCNC(=O)C1CCN(C(=O)NCCc2ccc(OCCN3C[C@@H](C)[C@@H](C)C3)cc2)CC1 1478335717 OVNIDLIIGVSRSW-OYRHEFFESA-N 454.615 2.367 30 10 JEEE N#Cc1ccc(CN2CC[C@H](NC(=O)N[C@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2=O)cc1 1478419750 CAOQAIUUBIOMCY-VXKWHMMOSA-N 456.506 2.026 30 10 JEEE CCc1nn(C)c(CC)c1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1498473808 GSRIPAVCXTXUTQ-UHFFFAOYSA-N 496.641 2.241 30 10 JEEE CCCNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1501154291 HGMUYFJLCVVHMC-UHFFFAOYSA-N 473.585 2.467 30 10 JEEE COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@H]2CCO[C@@H](C)C2)CC1 1504530371 CUXCVDVBDDAEHF-OALUTQOASA-N 452.559 2.317 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@H](C2CC2)N(C)C)CC1 1507733072 OAIDWNJILLYYTK-SFTDATJTSA-N 471.650 2.446 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCSC(C)C)CC1 1507738273 KWQIGQTWEUFZAM-UHFFFAOYSA-N 493.637 2.299 30 10 JEEE C#CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CC)[C@@H](C)C1 1507750722 CLUQAHPQUVNONH-RBUKOAKNSA-N 478.663 2.483 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](Cc2ccccc2)C1 1507844746 ONTPNIGUQKKXLK-SFTDATJTSA-N 460.600 2.221 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCOC2(CCC2)C1 1508106109 ROPUENJVCHLMJI-QGZVFWFLSA-N 461.588 2.261 30 10 JEEE C[C@H]1CCCN(C(C)(C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCNC(=O)C2)C1 1512180091 AWWRMSNQAGZXAM-SFHVURJKSA-N 451.575 2.175 30 10 JEEE Cn1cc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCNC(=O)Cc2cccc(F)c2)cn1 1517369010 DXXWTYZRQHUNFT-QHCPKHFHSA-N 450.522 2.307 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC[C@H](C(F)F)N1CCOCC1 1538977149 SPTSCOKJZBHGIK-NJNPRVFISA-N 455.550 2.133 30 10 JEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 1539053276 OOCZCQMPZLYTHC-HUUCEWRRSA-N 451.515 2.240 30 10 JEEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(NC(C)=O)CC1 1539126453 VIZOJRSTQZYQAG-LJQANCHMSA-N 460.579 2.105 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCNC(=O)[C@@H](C)CCC)[C@@H]1CCS(=O)(=O)C1 1539211072 FVKRYVXPAXEHGB-FUHWJXTLSA-N 461.588 2.026 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1cccc(NC(=O)CC(C)C)c1)[C@H]1CCS(=O)(=O)C1 1539221882 RWEMCZAOSYKYSB-UNMCSNQZSA-N 499.637 2.442 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCc1ccn(C)n1 1539259815 HVZHRCLNYMDWDY-UHFFFAOYSA-N 454.538 2.114 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](OC(C)C)c1ccccc1OC 1539266180 MZAHONUPGNALLW-DENIHFKCSA-N 470.595 2.428 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CCCS(=O)(=O)c1ccccc1 1539290071 BNZNACUSUFQMRF-UHFFFAOYSA-N 476.562 2.252 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC2(OC)CCC(C)CC2)CC1 1539469227 PDCDSHBGABYALO-NSBKXYHSSA-N 487.645 2.491 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@H]2CCC[C@H](O)C2)CC1 1539488624 MUNGQKZHTYRYPL-FPOVZHCZSA-N 481.597 2.383 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccccc1[N+](=O)[O-] 1539614888 DTPKUEKGXCMZCV-SUMDDJOVSA-N 478.575 2.414 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)[C@@H](C)CC(N)=O 1539628224 OSKAXEHCJNDDDK-AVYPCKFXSA-N 451.531 2.275 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(C)CCO[C@H]1C1CC1 1539668813 GOLWUVOERPRELX-IPJJNNNSSA-N 467.636 2.219 30 10 JEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CC[C@@H](C(=O)N(C)c2ccccc2)C1 1539757852 BHKOTXPXJNAPOQ-HXUWFJFHSA-N 466.586 2.483 30 10 JEEE C=CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](COC)C1 1540004896 HWPSOZHPGZJTKC-ZWKOTPCHSA-N 451.568 2.404 30 10 JEEE C=CCCOCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@@H](NC(C)=O)C1 1540019856 DSFCMGAWRIVWTR-LJQANCHMSA-N 489.646 2.244 30 10 JEEE C=CCn1c(-c2ccc(F)cc2Br)nnc1N1CCN(CC(=O)NC2CC2)CC1 1540856052 OZNGTESZJZYYMH-UHFFFAOYSA-N 463.355 2.433 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2OCC)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1540875550 PMBDNQSDIJNNDC-CEYNDMKZSA-N 485.585 2.331 30 10 JEEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCS(C)(=O)=O)C[C@@]2(CCO[C@@H]2C)O1 1544721926 DHIROVGNQDKCLL-DRSNIGMVSA-N 459.572 2.024 30 10 JEEE C#CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1587823394 PJUXBGCDAQDXPJ-IBGZPJMESA-N 458.544 2.271 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccc(N(CC)CC)cc1)[C@@H]1CCS(=O)(=O)C1 1588054986 QWNZVFWBHXTGRO-RBBKRZOGSA-N 471.627 2.303 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCN1CCSCC1 1588173435 AIXQMLGDBIHJIY-UHFFFAOYSA-N 471.030 2.373 30 10 JEEE C#CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(CC(=O)NC)CC1 1589053167 IZYCVZYWNJLOPU-UHFFFAOYSA-N 465.583 2.313 30 10 JEEE C=C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC1 1594122561 SQKVELOUFSZAPL-OAQYLSRUSA-N 454.623 2.239 30 10 JEEE C=CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@H](C)C(=O)NC 1594732422 CLRMRRKUVFIPIO-DLBZAZTESA-N 450.584 2.371 30 10 JEEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1594761086 USWVAFRGHOLJQH-UYAOXDASSA-N 485.658 2.225 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@]1(OC)CCOC1 1595099986 LTNPZFWTDQXGBX-REWPJTCUSA-N 471.583 2.050 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC2(O)CCOCC2)C1 1595664394 CVWPRLQFBZFTOE-FQEVSTJZSA-N 455.559 2.470 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1595772896 IVLANWCPRDAMQS-FQEVSTJZSA-N 470.599 2.159 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 1595798050 MBHMXCMMCRTISM-KURKYZTESA-N 483.635 2.470 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1595805829 VLCMPWCRDVBYJM-FQEVSTJZSA-N 459.616 2.083 30 10 JEEE C#CCN(C(=O)Cn1cc(Br)ccc1=O)C1CCN(C(=O)OC(C)(C)C)CC1 1596142426 WGYNNKSDKLOWOR-UHFFFAOYSA-N 452.349 2.472 30 10 JEEE C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1ccc(N(C)C)nc1 1596902228 FFENROBBZZPJBH-QZTJIDSGSA-N 497.625 2.496 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H](C)c2ccc(OCC(=O)OC)cc2)ccc1F 1611207795 MKXCVNNBFIDARH-AWEZNQCLSA-N 450.488 2.333 30 10 JEEE CS(=O)(=O)c1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCC[C@H]2CCCCO2)c1 1620150227 HVKZBBQOXVCEEI-RTBURBONSA-N 459.572 2.427 30 10 JEEE CS(=O)(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCCO2)C1 1620172414 DIKJJXWXVTWBNE-AZUAARDMSA-N 458.588 2.151 30 10 JEEE N#Cc1ccccc1Oc1ccc(NC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)cc1F 1620500411 DIWSHTXPULKCKK-WBVHZDCISA-N 457.483 2.464 30 10 JEEE C#C[C@H](NC(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@H]1CCS(=O)(=O)C1)c1ccc(Cl)cc1F 1635191416 HHWAQTMNUNFQMB-GGXPGOJBSA-N 454.951 2.379 30 10 JEEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN[C@H](CO)c2ccc(F)cc2F)CC1 1643927660 AUXFALJRKPAJGL-GOSISDBHSA-N 457.437 2.056 30 10 JEEE C=CC[S@](=O)(=NC(=O)CNS(=O)(=O)c1ccc(C(=O)OCC)cc1)c1ccccc1 1653396471 HXLWETWACGDDQQ-GDLZYMKVSA-N 450.538 2.381 30 10 JEEE C=CC[C@H]1CCCN(C(=O)NCCS(=O)(=O)N2CCN(c3ccc(OC)cc3)CC2)C1 1683683813 BUIQODFCRNZMBE-IBGZPJMESA-N 450.605 2.145 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1689838365 YKEYPZINKSLJJC-WMQCIHAUSA-N 452.584 2.479 30 10 JEEE C#CCN(CCOC)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@H]1CCCS(=O)(=O)C1 1690093511 AVJXKBSJCMOZOC-ZWKOTPCHSA-N 464.563 2.468 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Cl)c3)n2CC2(O)CCOCC2)CC1 1690137836 KDKQHYLUXILPJN-UHFFFAOYSA-N 457.962 2.106 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3noc4c3COCC4)n2CCSC(C)C)CC1 1690144054 KLZBOEBCBGLQTE-UHFFFAOYSA-N 458.588 2.113 30 10 JEEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1690508851 QUAQHUOPFDIOMO-GOSISDBHSA-N 458.563 2.460 30 10 JEEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(-n2ccnc2)c(F)c1)C1CC1 1690537620 QSSICXXVUSCYBU-HNNXBMFYSA-N 459.551 2.416 30 10 JEEE C=CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1690640789 CXMCNOFYVUBYKQ-UHFFFAOYSA-N 457.560 2.030 30 10 JEEE COC[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1)OC 1697766487 AEYFKUGAYQLWNM-VXKWHMMOSA-N 465.558 2.251 30 10 JEEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1sccc1C)[C@@H]1CCS(=O)(=O)C1 1705559946 CEDRTTLTJDAEQT-XMSQKQJNSA-N 478.640 2.364 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCc1nccs1)[C@H]1CCS(=O)(=O)C1 1705562405 BMYXHLYUVNNDDL-HNNXBMFYSA-N 462.988 2.319 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(O)CCCCC1 1705619145 IPOZLUMCSWSRSJ-KRWDZBQOSA-N 463.579 2.362 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCN(C)CC(F)(F)F)CC1 1705636300 FJPADHSQEVKPTH-UHFFFAOYSA-N 466.508 2.212 30 10 JEEE C#CCN1CCN(c2nnc(CC3CCCC3)n2CC[C@@H](C(F)F)N2CCOCC2)CC1 1705641641 NNUFATHFBNLCAV-FQEVSTJZSA-N 450.578 2.122 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2Cc2nnc(C)s2)CC1 1705643912 UPXBCBLHBJOQNF-KRWDZBQOSA-N 472.619 2.314 30 10 JEEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1705660701 CWFNGVRNYKIBRT-MRXNPFEDSA-N 483.610 2.279 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1705792076 LVRIDPLVUHNSSS-GCJKJVERSA-N 451.637 2.084 30 10 JEEE C=CC[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)COC)CC1)c1ccccc1 1705795086 BWEUGBNMGIBJNA-OAQYLSRUSA-N 466.586 2.169 30 10 JEEE C=CCCOCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(NC(C)=O)CC1 1705829815 CGKYFQUYQGZQMF-UHFFFAOYSA-N 468.606 2.150 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2ccccn2)n1CC1(O)CCS(=O)(=O)CC1 1705861207 XLMTWJRAAHGZJJ-UHFFFAOYSA-N 492.605 2.268 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC(Oc2ccc(OC)cc2)CC1 1705935863 FLDGNBHQZOVFKS-GOSISDBHSA-N 476.599 2.439 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]1c1ccc(CC)o1 1705936034 IKFUNSZJTACHDK-AEFFLSMTSA-N 482.628 2.278 30 10 JEEE CC(C)(C)n1ncnc1Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(C#N)CC1 1706151764 HMIIEGSKZIAWAC-UHFFFAOYSA-N 453.576 2.404 30 10 JEEE CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 1709900623 DJCQKUJOMUMARB-SFHVURJKSA-N 464.530 2.379 30 10 JEEE C#CCN(c1nnc(COCC)n1Cc1c(F)cccc1N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1722369613 CEVXUFTUXKLDCF-GOSISDBHSA-N 475.590 2.229 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2Cc2cccc(OCCN(C)C)c2)CC1 1722446134 OKONUZFRVSBTBV-UHFFFAOYSA-N 450.587 2.110 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(OC)c(Br)c1 1722449942 VZJNWEMZMRAKST-MRXNPFEDSA-N 462.348 2.135 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(N2CCC(OC)CC2)CCCC1 1722467129 MTGDRGNZKPMHMM-WMZHIEFXSA-N 492.690 2.304 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1 1722493682 KQBOAZLMSAQMDX-UNMCSNQZSA-N 450.543 2.093 30 10 JEEE C=C(C)COCCn1c(C(=O)NC(CC)CC)nnc1N1CCc2nc(O)c(C#N)cc2C1 1722527956 UDKASFULPDFBSZ-UHFFFAOYSA-N 453.547 2.324 30 10 JEEE C=C(Cl)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCNC(=O)[C@H]1CC 1722551727 FJMADFNIWACIRU-HUUCEWRRSA-N 454.959 2.054 30 10 JEEE C=CC1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1722576237 LNNNQFCHJGWBJI-IBGZPJMESA-N 454.531 2.353 30 10 JEEE C=CCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1722686608 NOARTVYCXVMSTA-UHFFFAOYSA-N 485.614 2.282 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1Cc1cccc(OCC(N)=O)c1 1740539505 TYUJFATVCPPTEJ-CQSZACIVSA-N 471.359 2.416 30 10 JEEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1C[C@H]1CC=CCO1)[C@@H]1CCS(=O)(=O)C1 1740627165 FCYOUBAJYOCWSP-NHCUHLMSSA-N 470.595 2.446 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@]1(O)CCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1740628725 SQPOMZAEIWBOHX-UFUUVDDWSA-N 478.659 2.375 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCO[C@@H]2CCCC[C@H]2C)CC1 1740703841 BUSYIZYKUJXMFV-WIYYLYMNSA-N 451.575 2.296 30 10 JEEE C#CCSCCn1c(Cc2ccsc2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1740721091 WULPHVHXNJAWNP-NQIIRXRSSA-N 472.684 2.286 30 10 JEEE C=CCCCn1c(Cc2csc(C)n2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1740877796 BMWZEXAMVQPGBS-UHFFFAOYSA-N 452.588 2.421 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@@H]1CCCN1CCC)[C@@H]1CCS(=O)(=O)C1 1748811405 GLGNENFMRDIYBB-VQTJNVASSA-N 471.627 2.455 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1CC(C)(C)COC)[C@H]1CCS(=O)(=O)C1 1748818922 HRJAHCUGZXNRDK-IBGZPJMESA-N 460.600 2.177 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCC2(C1)OCCO2 1748857483 ANHBANZOTLXAME-PMACEKPBSA-N 485.585 2.203 30 10 JEEE C#CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@]1(O)CCC[C@H]1C 1748949606 FXBWXQRBUDUDNE-UZUQRXQVSA-N 474.631 2.184 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2CN(C(=O)OC(C)(C)C)C2)CC1 1749342544 IJZWVHBLSAGCGH-GOSISDBHSA-N 465.620 2.450 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCCS1(=O)=O 1749541237 KCOLHONOQYVTCE-FUHWJXTLSA-N 499.634 2.187 30 10 JEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCCN(c2ccccc2C#N)CC1 1749677768 KJIQFHJNHKKEEH-UHFFFAOYSA-N 473.585 2.030 30 10 JEEE CS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C[C@@H]2CCOC2)C1 1750215929 HQOIVOQGJIIXDH-MOPGFXCFSA-N 458.588 2.009 30 10 JEEE CC(C)(C)Cc1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CCCn1cc(CO)nn1 1750476208 DGCHJUYFVJFBRQ-NRFANRHFSA-N 464.574 2.490 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cccc(OCC(=O)N(C)C)c1 1760098853 AOYZUFRYQMFZPF-UQBPGWFLSA-N 469.586 2.292 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCCSC)c1 1760128757 RJRJILLTGHJIFI-GOSISDBHSA-N 475.640 2.380 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1CCN(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1760180224 ANCXRGWYMARMLX-KRWDZBQOSA-N 497.463 2.013 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCOc1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 1760186848 GRHMKEXUGZTHQH-UXHICEINSA-N 488.610 2.277 30 10 JEEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1760431386 NTYFQJOASBYLLH-LJQANCHMSA-N 466.590 2.025 30 10 JEEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC2(CCCCC2)C1 1760451000 XPRJSLDBXLECQJ-LJQANCHMSA-N 467.636 2.364 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 1760553934 MEJIWTKBPKRTOX-OAHLLOKOSA-N 452.602 2.357 30 10 JEEE CCN(CC)CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnccc2OC)CC1 1764983387 AYLQCEHQHWCNOG-UHFFFAOYSA-N 488.596 2.259 30 10 JEEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(Cc1ccco1)C[C@@H]1CCCO1 1767843062 CBJSWNABHWQPME-FQEVSTJZSA-N 470.555 2.145 30 10 JEEE COc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2CCN2CCOCC2)cc1O 1862573686 BBCDMKJKQFUAEF-HSZRJFAPSA-N 498.532 2.329 30 10 JEEE Cc1nnc(N2CC(NC(=O)[C@@H]3SCC(=O)N(C(C)C)[C@H]3c3ccc(C#N)cc3)C2)s1 1890387996 BXOAJSLICRHKOW-RBUKOAKNSA-N 456.597 2.117 30 10 JEEE CC(C)(C)OC(=O)N1CCC(O)(CC(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)CC1 2206636876 UHYGFPDNSLVXRF-UHFFFAOYSA-N 461.368 2.471 30 10 JEEE CC(C)(C)OC(=O)NCCCONS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2247953763 VWBDUNVGYGZUIT-UHFFFAOYSA-N 462.399 2.172 30 10 JEEE CC(C)(C)OC(=O)NC1CN(S(=O)(=O)c2ccc(F)c(B3OC(C)(C)C(C)(C)O3)c2)C1 2255799677 MGNSKLYYIXBZRM-UHFFFAOYSA-N 456.345 2.023 30 10 JEEE CC1(C)OB(c2cnc(C(=O)N[C@@H](CNC(=O)OCc3ccccc3)C(F)(F)F)nc2)OC1(C)C 2267535944 DVZAQDKZFLRYCQ-INIZCTEOSA-N 494.279 2.363 30 10 JEEE C=C(CS(=O)(=O)N1CCO[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]21)B1OC(C)(C)C(C)(C)O1 2267726880 RCPBSXCLPDBQAP-DLBZAZTESA-N 472.413 2.214 30 10 JEEE CCN(CCNC(=O)OC(C)(C)C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(O)cc1O 2267812626 DKIXIDMZQLRYEE-UHFFFAOYSA-N 450.341 2.384 30 10 JEEE CC(C)(C)OC(=O)NCC(C)(C)OCCNC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2278313185 BBTHQTILDVOULT-UHFFFAOYSA-N 469.413 2.492 30 10 JEEE Cc1nn(C)c(C(=O)N(CCNC(=O)OC(C)(C)C)CC(F)F)c1B1OC(C)(C)C(C)(C)O1 2281986722 VEJFAVJCRVWDMF-UHFFFAOYSA-N 472.342 2.260 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@]2(CCN(C(=O)c3occc3B3OC(C)(C)C(C)(C)O3)C2)C1 2282036806 NQNIPOQNSQNCPW-QHCPKHFHSA-N 462.352 2.431 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@H]1COC(C)(C)N1C(=O)OC(C)(C)C 2282170707 BXMIHDQTBGKHSX-INIZCTEOSA-N 463.384 2.426 30 10 JEEE CC1(C)OB(c2c[nH]c(C(=O)NC[C@]34CN(Cc5ccccc5)C[C@H]3CCO4)c2)OC1(C)C 2282208280 IDWABVJDIOOIMV-CLOONOSVSA-N 451.376 2.335 30 10 JEEE CC(C)(C)OC(=O)NCCCN(CCO)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1F 2282411760 WZTYXNSLEFEDKC-UHFFFAOYSA-N 466.359 2.474 30 10 JEEE Cc1nn(C)c(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H](C)C2)c1B1OC(C)(C)C(C)(C)O1 2282556324 GHTXKWLHRXZHBK-OAHLLOKOSA-N 462.400 2.357 30 10 JEEE Cn1cc(C(=O)N[C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)c(B2OC(C)(C)C(C)(C)O2)n1 2282591677 SSKXBGWKKQNSBN-IRFCIJBXSA-N 450.392 2.360 30 10 JEEE CC1(C)OB(c2cnsc2C(=O)N2CC[C@](CNC(=O)C(F)(F)F)(C3CC3)C2)OC1(C)C 2282625713 ZCAZJFUGMWSXKV-LJQANCHMSA-N 473.326 2.363 30 10 JEEE CO[C@@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2O)C[C@@H]1NC(=O)OC(C)(C)C 2282986349 PEVREADSDNWALK-FUHWJXTLSA-N 462.352 2.056 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCCN(CC(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2283951732 AWSAWQYVBBCTAG-KRWDZBQOSA-N 460.384 2.308 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCCN(CC(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)C1 2283952921 NEVIAQIBEIHGDZ-MRXNPFEDSA-N 460.384 2.308 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2C[C@]2(CNC(=O)OC(C)(C)C)C1 2288262100 DYSYFILMJHLBON-WNSKOXEYSA-N 460.384 2.015 30 10 JEEE CC(C)(C)OC(=O)NCCOCCCNC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2315693210 HAZNUFBFGWWPJQ-UHFFFAOYSA-N 455.386 2.104 30 10 JEEE CCOc1ccc(OCc2nnc(SCC(N)=O)n2N=Cc2ccccc2C(=O)O)cc1 2326660336 WBGQZKQCBYOFMW-UHFFFAOYSA-N 455.496 2.414 30 10 JEEE CC(C)[C@](C)(CNC(=O)OC(C)(C)C)NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2337207858 GCCTYJWXTGJNNQ-QFIPXVFZSA-N 450.389 2.389 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)CCCO1 2337402020 RSWWWDHPWHQKQO-CQSZACIVSA-N 467.397 2.198 30 10 JEEE Cn1cnc(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 2362348282 PDGLSNZZIVWEBP-XHSDSOJGSA-N 460.384 2.237 30 10 JEEE Cn1cnc(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 2362454486 ZWKGFWYNVSYLRI-FZKCQIBNSA-N 460.384 2.141 30 10 JEEE Cc1cc(CNC(=O)CC2(O)CN(C(=O)OC(C)(C)C)C2)cc(B2OC(C)(C)C(C)(C)O2)c1 2369679925 RECSOOZBJIAFLE-UHFFFAOYSA-N 460.380 2.282 30 10 JEEE COc1ccc(NC(=O)CSc2nnc(N/N=C(\C)c3ccccc3O)n2N)c(OC)c1 59829710 SFQLZAYUZXOYBS-FSJBWODESA-N 457.516 2.282 30 10 JEEE CCN1C(=O)C[C@@H](C(=O)NCCc2ccc(S(N)(=O)=O)cc2)SC1=Nc1ccc(OC)cc1 61882707 NUMULOGYCZZJQO-IBGZPJMESA-N 490.607 2.043 30 10 JEEE C=CCN1C(=O)[C@@]2(/C(=C(/O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCOC)c2ccccc21 102566380 OFZRXVMZYOLWRA-RFJJORBGSA-N 476.485 2.213 30 10 JEEE C=CCN1C(=O)C(=NNc2nc3c(c(=O)nc(O)n3C)n2C/C=C(/C)Cl)c2ccccc21 254308354 KAHJPHMOCXHUMP-ZJZAOUBESA-N 453.890 2.327 30 10 JEEE COc1ccc(C(=O)C(C#N)=c2sc(=Cc3cc(Cl)c4c(c3)OCO4)c(=O)n2C)cc1 254379154 UXLJJFFWRKCUQQ-UHFFFAOYSA-N 454.891 2.223 30 10 JEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(Cl)c2Cl)c(=O)n1C[C@H]1CCCO1 514475157 PGCOSABFJQEDDX-CQSZACIVSA-N 464.374 2.201 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1NS(=O)(=O)CCN1C(=O)c2ccccc2C1=O 704371650 LYCZJZSNIAQCEQ-UHFFFAOYSA-N 470.356 2.332 30 10 JEEE CC(=NNc1nc(SCC(=O)N2CCN(Cc3nnc(C(C)C)o3)CC2)n[nH]1)c1ccccc1O 1084624687 CVUAFAAXQZXRLW-UHFFFAOYSA-N 499.601 2.289 30 10 JEEE C=CCn1cc(CNC(=O)c2cc(S(=O)(=O)NC(C)(C)C)ccc2Br)nn1 1162480647 PEFVXEPMHYZWFM-UHFFFAOYSA-N 456.366 2.233 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCCO3)n2C[C@H]2CC(=O)N(CCOC)C2)c1 1286310935 HYXNWTDXKWGGRH-RBBKRZOGSA-N 494.596 2.071 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(F)cc1F)[C@@H]1CCS(=O)(=O)C1 1286380230 BIAWPNNVHSPYCH-XXBNENTESA-N 494.564 2.272 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H](C)Oc1ccccc1C)[C@@H]1CCS(=O)(=O)C1 1286389807 RDIIZOLODROURX-UYAOXDASSA-N 468.583 2.081 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC1(COC)CCCCC1)[C@H]1CCS(=O)(=O)C1 1286396822 WPOQMQGXAJALKA-UXHICEINSA-N 464.632 2.396 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCC(=O)N(C)C 1286425959 DXTRXNJAWUSJDP-UHFFFAOYSA-N 459.554 2.177 30 10 JEEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1Cc1c(CC)nn(C)c1OC 1286431142 UCMBGRWOMINIBI-UHFFFAOYSA-N 456.554 2.332 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC[C@H](C(F)F)N1CCOCC1 1286438557 YLIXICCKPQIFOP-LJQANCHMSA-N 481.569 2.164 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)N2CCCC2)n1CC1CCS(=O)(=O)CC1 1286452223 KYJJMLSGJWRRPQ-UHFFFAOYSA-N 473.574 2.118 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1CCN1CCN(C)C(C)(C)C1 1286456889 ZNUDUDHIGWEKDY-OAQYLSRUSA-N 467.593 2.034 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCCS(C)(=O)=O)CC1 1286471067 GWTAOFIHXLDMBF-KRWDZBQOSA-N 466.007 2.261 30 10 JEEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1286548146 MHOWGMLAYPRSCW-GOEBONIOSA-N 464.368 2.436 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1286568965 ZABMBCGXPXGPBD-XHDSLABCSA-N 474.533 2.338 30 10 JEEE C=CCC(C)(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(NC(=O)COC)CC1 1286668531 RBGHNQMCAIVLIZ-UHFFFAOYSA-N 479.589 2.255 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(COC)CC1 1286817801 YIROTNRXZKTLFG-UHFFFAOYSA-N 462.572 2.180 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](c2ccc(F)cc2F)C1 1286818414 IHORGHYTRGIDSI-IBGZPJMESA-N 478.525 2.136 30 10 JEEE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2ccc(C#N)o2)C1 1286845331 MLQKNOGBUDVASF-KRWDZBQOSA-N 482.566 2.166 30 10 JEEE CC(C)OCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1288401218 FOHOFNCCRMSDQM-UXHICEINSA-N 459.572 2.055 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(N(C)C)CCSC1 1300310508 NFXKFTIKOVBQAD-IXFSTUDKSA-N 478.663 2.482 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1CCOCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1300487433 JIYQGOHCXYDVQM-HXUWFJFHSA-N 451.552 2.184 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCC[C@H]1C 1300671772 ORWXLGMDELJVSJ-WOJBJXKFSA-N 476.622 2.157 30 10 JEEE C#CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1300734185 SUCWNSOOJWHSQU-QFBILLFUSA-N 478.018 2.468 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2ccccc2F)C1 1300762414 JQNQHKZVZYZWJS-LPHOPBHVSA-N 464.588 2.264 30 10 JEEE C=C(Br)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)CCCS(C)(=O)=O 1300834908 ZEGGHFUNYZIBPG-UHFFFAOYSA-N 471.377 2.496 30 10 JEEE C=C(Br)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@@H](C(=O)NC)C1 1300843702 DTSOAPIYJUTVSX-CQSZACIVSA-N 496.435 2.109 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(CC(=O)NCC)CC1 1300868092 BWRONQTXYFJASI-YADARESESA-N 498.628 2.202 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CCC(NS(C)(=O)=O)CC1 1300869136 JWMOALKPKXTVAU-RXVVDRJESA-N 475.615 2.453 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1300888128 HZMCOPJJFRURMI-XPNTWCBSSA-N 488.658 2.353 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(C)(C)N2C[C@@H](C)O[C@H](C)C2)CC1 1301124484 JAQMVKKTCWPOCK-QWFCFKBJSA-N 465.664 2.470 30 10 JEEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 1301198172 YARCIJKRSFOBAB-SFTDATJTSA-N 471.650 2.297 30 10 JEEE C=CCNC(=O)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC[C@@](C)(OC)CC1 1301509092 ABFWFVBCGPQKKJ-HHHXNRCGSA-N 495.672 2.340 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(F)(F)c2ccccc2)C1 1301538950 MIGDVWNZQYHSQB-WBVHZDCISA-N 455.531 2.462 30 10 JEEE CC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NC(=O)COC)CC1)N1CCCC1 1305812500 BCOJUAHVCCWLFI-JOCHJYFZSA-N 465.602 2.423 30 10 JEEE N#Cc1cc(Br)cc(S(=O)(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)c1 1309215949 BPNUVPFJPNRXOS-IBGZPJMESA-N 450.358 2.236 30 10 JEEE CCN(CCCn1c(C2CCC2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1)S(C)(=O)=O 1313799889 GUWAEQZOGMJXEV-UHFFFAOYSA-N 485.658 2.411 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1358888144 HXMSSFIJMVGLAT-FWRKBDRZSA-N 497.600 2.377 30 10 JEEE C#CCCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCO[C@H](CNC(C)=O)C1 1358924343 SYRALDDOHCVJAD-HXUWFJFHSA-N 455.559 2.496 30 10 JEEE C#CCCCn1c(N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)nnc1[C@]1(OCC)CCOC1 1358936751 WXQSVYKKGFNRKI-MBSDFSHPSA-N 463.579 2.074 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCc1n[nH]c(C)n1 1358992000 WLYXJKJQGCMOBP-UHFFFAOYSA-N 469.553 2.197 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](C)Oc2cccc(F)c2)CC1 1359044025 RUQKRNQMDCTVOW-QGZVFWFLSA-N 465.533 2.251 30 10 JEEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1359062348 DYYWZPYKJHZTAG-OTWHNJEPSA-N 463.648 2.500 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1359118382 GFJJIJACQZMHEF-IBGZPJMESA-N 486.642 2.058 30 10 JEEE C=C1CCN(c2nnc(Cc3c(F)cccc3F)n2CC2(O)CCS(=O)(=O)CC2)CC1 1359166290 MUUWYHZLBKNMLE-UHFFFAOYSA-N 452.527 2.243 30 10 JEEE C=CCNC(=O)Cn1c(N2CCN(c3ccccc3F)C[C@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 1359305715 LDJGPXYKHBTRIW-KBMIEXCESA-N 486.592 2.475 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(F)ccc2Br)nnc1N1CCOCC1 1359327463 BXGNXKXYJNGHGL-UHFFFAOYSA-N 459.341 2.284 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1359332212 RSUSLXDQCSOWQL-ROUUACIJSA-N 483.635 2.219 30 10 JEEE CCN(CC)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)COC)CC1 1501779911 CFLOBTNQEXUQHV-UHFFFAOYSA-N 467.618 2.480 30 10 JEEE CN(C)C1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(CC#N)CC2)CCCCC1 1503385275 GCYKCLSCCFXQKP-FQEVSTJZSA-N 493.678 2.006 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1Cc1oc(CC)nc1C)[C@@H]1CCS(=O)(=O)C1 1507626872 QHNBGFJJQBHOKK-GOSISDBHSA-N 499.593 2.496 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H](OC)c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1507630765 GZXZSHXHKUFSCD-SFTDATJTSA-N 469.542 2.494 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@H](C)c1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1507634330 JUPSVSRFFUSLGR-JXFKEZNVSA-N 468.583 2.299 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(C)cc1N1CCOCC1 1507710348 FICIWZQRHMHBMV-JOCHJYFZSA-N 453.587 2.451 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2CCN2CCCCC2)CC1 1507717473 FFAYDPILGZGORO-UHFFFAOYSA-N 460.424 2.287 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@@]2(C)CN(C)C2=O)CC1 1507721308 RMTQXZOZCYRQDL-LJQANCHMSA-N 463.405 2.003 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCOc2ccccc2)nnc1N1CCN(C(=O)NC)CC1 1507804288 FPABRLHUFDEGHE-KNQAVFIVSA-N 454.575 2.342 30 10 JEEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(N2CCCCC2=O)CC1 1507835812 MYYITPCTXZTFSQ-UHFFFAOYSA-N 467.574 2.499 30 10 JEEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1507928485 GMKFYTFVERSTJU-IRLDBZIGSA-N 471.650 2.249 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccccc2OCC)CC1 1508088330 GDEKKYWUVNBZHJ-IBGZPJMESA-N 454.575 2.200 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1508095096 SFVMYODHGQYOJO-QGZVFWFLSA-N 469.521 2.449 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC2(CCC(F)(F)CC2)C1 1508131650 OJKKFZUWSTVREH-UHFFFAOYSA-N 459.563 2.423 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCC(CN2CCOCC2)CC1 1508137354 ZLUYKIBDPAVJCP-UHFFFAOYSA-N 473.643 2.403 30 10 JEEE C[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1)N(C)C 1510074646 AABVRZYTYMQKMV-KRWDZBQOSA-N 471.009 2.202 30 10 JEEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2nccc(C(F)F)n2)C1 1510289121 BVQQQVGRIZZBNJ-BFUOFWGJSA-N 451.503 2.086 30 10 JEEE CCOc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCC(=O)NC(C)(C)C)cc1OC 1516276473 IBBOTNXRFGLPIF-QGZVFWFLSA-N 456.547 2.386 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@@]2(O)CCC[C@H]2C)c1 1539038531 RDJSAOQTCIUSHH-CJAUYULYSA-N 464.570 2.121 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(OC)nc2ccccc12 1539538489 JIJUJRULDDKAAU-QMHKHESXSA-N 468.583 2.486 30 10 JEEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCN(c2cccc(OCC)n2)CC1 1539743084 UTOQMKCFPQRPMW-UHFFFAOYSA-N 450.547 2.448 30 10 JEEE C=C1CCN(c2nnc(COc3ccc(Br)cc3)n2CCNS(C)(=O)=O)CC1 1539856240 VPYKGBOIXRRBHY-UHFFFAOYSA-N 470.393 2.325 30 10 JEEE C=CCCOCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](OC)C1 1540037696 PDGMBXMRVNAKSF-MSOLQXFVSA-N 451.568 2.404 30 10 JEEE C=CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1540053716 IKWNCVDARSIJEX-MRXNPFEDSA-N 465.576 2.017 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCOC2)n1CCN1CCN(C(C)=O)CC1 1540180775 UXPAQNFTRVIZFX-HSZRJFAPSA-N 452.603 2.181 30 10 JEEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1540853384 CKQKWWAKPLEOSK-GOSISDBHSA-N 482.976 2.445 30 10 JEEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1540861378 OEZHBXWEAGRXTL-IBGZPJMESA-N 473.622 2.281 30 10 JEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ncsc3Nc3cccnc3)CC2)cc1 1543121250 HIJYOBYGCUHYHT-UHFFFAOYSA-N 454.537 2.300 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@H]1CCOC[C@H]1C 1545920824 AJQQNOKACNEMTM-CEXWTWQISA-N 495.632 2.246 30 10 JEEE CS(=O)(=O)c1cccc2c1CCCN2CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 1559643520 BQAMQDTYWDBWKF-IBGZPJMESA-N 458.609 2.313 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(Br)ccc1OC 1587640854 VSLURWBUSGHDQF-UONOGXRCSA-N 467.389 2.458 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1CC1(COC)CCC1)[C@H]1CCS(=O)(=O)C1 1588040209 JJVNDISEVDIMNN-IBGZPJMESA-N 488.610 2.406 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CC(=O)N(C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1588040557 OKGNPECPNICNPS-FQEVSTJZSA-N 481.578 2.132 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1588075056 WQGGWIBPDBWSLO-PWRODBHTSA-N 488.658 2.419 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CCCOC2CCOCC2)CC1 1588899889 ZMKWSZFKUQYHSV-UHFFFAOYSA-N 455.559 2.398 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2Cc2conc2COC)CC1 1588954261 CHSILTUOYWZQMH-UHFFFAOYSA-N 462.554 2.212 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCN(C2CCOCC2)CC1 1589495122 PKHYSXVXTMTJGB-ONTIZHBOSA-N 463.623 2.284 30 10 JEEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1593763864 RSDOIOBUNDFAHE-UHFFFAOYSA-N 479.566 2.397 30 10 JEEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(F)c(OC)c2)CC1 1594807428 OPFFSOGWSWZIOW-LJQANCHMSA-N 458.538 2.296 30 10 JEEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](Nc2cc(OC)cc(OC)c2)C1 1595405607 TZDIIHBCGLIWRX-IRXDYDNUSA-N 461.588 2.464 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CC[C@@]3(CCS(=O)(=O)C3)C2)cc1 1595608595 UOYCNTIVRFJDBY-HSZRJFAPSA-N 473.599 2.044 30 10 JEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)NCC1(O)CCN(C(C)C)CC1 1630477322 BJSPHTCGSHRBNU-UHFFFAOYSA-N 454.365 2.450 30 10 JEEE C#CCCCNC(=O)c1n[nH]c(C2CN(C(=O)OC(C)(C)C)C2)c1I 1635915972 VERFXZCNVWGRJY-UHFFFAOYSA-N 458.300 2.492 30 10 JEEE C#Cc1cccc(NC(=O)NC(=O)Cn2cnc3c(cnn3CCOc3ccccc3)c2=O)c1 1640967396 RSKWQNRILQATHF-UHFFFAOYSA-N 456.462 2.002 30 10 JEEE C=CCCSCCNC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)OCC)cc2)CC1 1686988881 XQOUBAXRXSHWMQ-UHFFFAOYSA-N 455.602 2.189 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1(OCCOC)CCOCC1 1689848644 YXJVTNSSBRHTLZ-IBGZPJMESA-N 494.596 2.345 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H](C(C)C)N1CCOCC1 1690000010 PIXXOKALWDZJGA-JOCHJYFZSA-N 483.016 2.291 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(OC)cc(OC)c2)n1Cc1cccc(N2CCOCC2)n1 1690004867 ISTCYLZHSOTOLR-UHFFFAOYSA-N 472.549 2.315 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccccc2OC)n1C[C@@]1(N2CCOCC2)CCSC1 1690028117 KZNFQYJDNQRQIH-VWLOTQADSA-N 481.622 2.146 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCN2CCCCC2)CC1 1690139366 JWYBXAGWBUQMSQ-UHFFFAOYSA-N 465.558 2.305 30 10 JEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](c2noc(C(C)C)n2)C1 1690485657 ZFYVLPABXYEIGY-QZTJIDSGSA-N 493.634 2.468 30 10 JEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1690644432 KNMOTNLPCJAXRO-OALUTQOASA-N 462.595 2.074 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1690662325 ZGSVNKFRUGMIMV-HUUCEWRRSA-N 464.412 2.267 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1690675679 BQRCSCGETKHRLQ-SFHVURJKSA-N 456.547 2.053 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1C[C@H](C)O[C@@H](c2ccccc2)C1 1690722718 SWZKOTMFDILZOV-FXAWDEMLSA-N 454.556 2.302 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1690731211 COUKVRPGRXUHBA-DFQSSKMNSA-N 493.674 2.293 30 10 JEEE CCc1cnc(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCO[C@H](C#N)C2)s1 1694565216 BWIMHSFOKLHJHW-OAHLLOKOSA-N 458.569 2.145 30 10 JEEE CCN1C[C@@H](C)N(c2nnc(-c3cccc(C#N)c3)n2CC2(C(N)=O)CCOCC2)C[C@H]1C 1695802584 BLOSSBRAMUXWGR-QZTJIDSGSA-N 451.575 2.018 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@@H]1CCO[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1705564036 JTXHHVWURAVNKT-IPMKNSEASA-N 458.584 2.396 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(C#N)cc2)n1CCNS(=O)(=O)c1ccc(C)s1 1705577868 WYBMJKMOXDYMFK-UHFFFAOYSA-N 464.576 2.238 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC1CCN(C(C)=O)CC1 1705580347 ITRQUJWPSNAILO-UHFFFAOYSA-N 485.592 2.396 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H](CC(C)C)N(C)C)CC1 1705633919 BSFSRIJOQCMRKR-OAQYLSRUSA-N 472.659 2.080 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCOc2cc(C)cc(C)c2)CC1 1705644217 JFNBTCXLXPEITN-UHFFFAOYSA-N 466.586 2.078 30 10 JEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCNC(=O)OC(C)(C)C)CC1 1705781444 ZZLTYFICKCAVBH-OAHLLOKOSA-N 456.613 2.206 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2Cc2ccc(C(N)=O)nc2)C1 1705916673 MOLHQHDFZSMDSN-MRXNPFEDSA-N 486.374 2.370 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCCN(c2ccccc2)CC1 1705930852 XPEHBVSAUMQDKX-UHFFFAOYSA-N 495.609 2.243 30 10 JEEE CCC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1709439034 CYPOSZGJNVVFFW-DEOSSOPVSA-N 453.591 2.014 30 10 JEEE CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1709900515 AFYOWWFSVCOUTP-FQEVSTJZSA-N 461.574 2.420 30 10 JEEE CO[C@H]1COCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CNC(C)=O)CC1 1712094380 DZDLYACPWXVQEV-VXKWHMMOSA-N 452.559 2.221 30 10 JEEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccc(OC)cc1)N1CCCC1 1722351502 IVPNFMPTPWHJGS-PZJWPPBQSA-N 457.600 2.095 30 10 JEEE C#CCN(c1nnc(CSc2ccc(C)cc2)n1CC[C@@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1722371215 UWCXFSATRKCGFH-VQTJNVASSA-N 490.651 2.311 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](c2ccco2)N(C)C)CC1 1722448885 BXAXSYXWGQGWFV-NRFANRHFSA-N 478.601 2.001 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)NC)CC1 1722494427 MJTXKDQMUBCZPE-IEBWSBKVSA-N 455.519 2.296 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1722504114 YIFTWVXUCYEPNU-UEXGIBASSA-N 452.563 2.173 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C)CC1 1722505520 BTFULXVEVXNIIM-NMLBUPMWSA-N 467.636 2.219 30 10 JEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(Br)cc1 1722641233 XYFGFBOJSUHECB-QGZVFWFLSA-N 484.420 2.238 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H](C(=O)NC)C1 1722706084 MLQQKFVMMZYWEH-SFHVURJKSA-N 468.602 2.419 30 10 JEEE CCN(c1nnc(COc2ccc(C#N)cc2)n1Cc1cnccc1OC)[C@H]1CCS(=O)(=O)C1 1728324441 CKRHXOYVRXGYND-IBGZPJMESA-N 482.566 2.194 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@@H]1CCO[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1740619409 OFECONNRRUFJQH-GGPKGHCWSA-N 458.584 2.396 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@]1(N2CCOCC2)CCSC1 1740632858 PXJKLCWKWHQXMD-OAQYLSRUSA-N 489.443 2.316 30 10 JEEE C=C(Cl)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1740804785 DVLYYZVYMDRNCV-UONOGXRCSA-N 461.009 2.359 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccc[nH]2)n1C[C@@]1(O)CCS(=O)(=O)C1 1740915705 PPTLFCLVXCEZOT-QFIPXVFZSA-N 457.556 2.024 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCc2ccccc2F)C1 1740982933 YOLSOAWIPNCLMC-TZIWHRDSSA-N 493.605 2.164 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1C[C@@H](C)[C@@H](F)C1 1740990421 ULPXTLVZYWYNIH-QAPCUYQASA-N 474.562 2.070 30 10 JEEE C[C@H](Cn1c(COc2ccc(F)cc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C)N(C)C 1741864083 HAVPKSFBHRLNDU-QZTJIDSGSA-N 479.564 2.323 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC1(c2ccccc2C)CC1)[C@H]1CCS(=O)(=O)C1 1748802190 NAXWHLIRXQLVET-IBGZPJMESA-N 469.611 2.083 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1CC[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1748810070 RTDPOFSLDDKBHY-ZWKOTPCHSA-N 474.583 2.016 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CCc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1748818488 BXNCJRVBRQVVOZ-HXUWFJFHSA-N 453.543 2.272 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CCCN(C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1748819344 NHFOTCZMLNHGNC-HSZRJFAPSA-N 478.622 2.417 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CCc1ccncc1)[C@H]1CCS(=O)(=O)C1 1748824286 NEMXAAFKOPTVBI-NRFANRHFSA-N 465.579 2.430 30 10 JEEE C#CCSCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[C@@H](C(N)=O)C1 1749024514 SYSCLINYIOFCGN-OAHLLOKOSA-N 459.572 2.039 30 10 JEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N(CC)Cc1nc(O)c2ccccc2n1 1749033922 RHQLZPNBPVVLQL-KRWDZBQOSA-N 451.556 2.271 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(C)cc2)nnc1N1CCN(CCOC)C(=O)C1 1749135929 JRYVOTXQACXPJD-GBXCKJPGSA-N 469.586 2.442 30 10 JEEE C=C(C)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CCN(S(C)(=O)=O)CC1 1749175344 FSPDQRGMFXMHMV-UHFFFAOYSA-N 470.393 2.374 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1749366395 FCZOOLDWRBWCJE-RBUKOAKNSA-N 467.636 2.015 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1CCOCC1 1749368781 QAWUNYYXEBNGEP-SFHVURJKSA-N 455.625 2.076 30 10 JEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(OC2CCC(C)CC2)CC1 1749629826 IATPTUIGTJCEMN-AFMYVXGZSA-N 467.636 2.361 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCS(=O)CC1 1749725185 SDUKMGRQHVWEIR-OAHLLOKOSA-N 468.670 2.301 30 10 JEEE C[C@](O)(Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1)C1CC1 1751247345 DGIRFBIXCHMYPA-AOMKIAJQSA-N 492.502 2.395 30 10 JEEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(C)(C)N1CCC(OC)CC1 1760172042 LGFOMOPPOCVATQ-UHFFFAOYSA-N 466.634 2.411 30 10 JEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(=O)N1CCCCC1 1760173759 BKVGULXLELFWFX-GOSISDBHSA-N 460.579 2.059 30 10 JEEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1c(C)nn(Cc2ccccc2)c1C 1760174538 GSCCOUGWZRZNCG-HXUWFJFHSA-N 452.584 2.160 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCC1CC(OCC)C1)[C@H]1CCS(=O)(=O)C1 1760189052 GGZHACUXPXHMRF-SYYJFZTOSA-N 477.656 2.466 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H]1CCc2ccccc21 1760235434 MNVZMUAOAFFKQO-TZIWHRDSSA-N 457.600 2.191 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H]2N(C)CCCC2(C)C)CC1 1760269772 OIQZQLYLVAINAE-RTWAWAEBSA-N 456.635 2.258 30 10 JEEE C#CCSCCn1c(Cn2ccc3ccccc32)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1760283935 COMGBUSPCJSFLK-HXUWFJFHSA-N 467.620 2.274 30 10 JEEE C#CCSCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1760285069 WTZVCQIEEBAMCZ-HXUWFJFHSA-N 482.610 2.313 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C2OCCO2)c1 1760336558 BTTPOPMQISSKAN-HXUWFJFHSA-N 491.614 2.107 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(F)cc(OC)c1 1760337664 VBVFASSPKUVRAR-IBGZPJMESA-N 467.567 2.209 30 10 JEEE C=CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1760431069 CZCDXTKOGPNXHY-UHFFFAOYSA-N 453.591 2.324 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(c2cccc(OC)c2)CC1 1760515525 WSNPBTQNSBVXOI-UHFFFAOYSA-N 452.559 2.209 30 10 JEEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N(C)C[C@H]1CCCO[C@@H]1c1ccccc1 1760527432 WWWSWVSFCMFSSV-HYBUGGRVSA-N 466.586 2.307 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2CC2(O)CCOCC2)C1 1760537317 MXSNITIMKDQWCK-INIZCTEOSA-N 466.380 2.369 30 10 JEEE CC(C)(C)C(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](CN2CCOCC2)C1 1760717708 HMZQJTXWTBWBDR-OAQYLSRUSA-N 495.628 2.050 30 10 JEEE CC[C@@H](C)NC(=O)CCn1c(N2CCN(c3nccnc3C#N)C[C@H]2C)nnc1C(C)(C)C 1762056409 GENJHOHWWXRATE-IAGOWNOFSA-N 453.595 2.257 30 10 JEEE CCC(CC)(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1)SC 1762138326 BOFAHLXABHWCBB-KRWDZBQOSA-N 470.665 2.273 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCC=CO1 1771100125 GZNBRMLMSVBJKE-SFTDATJTSA-N 471.583 2.398 30 10 JEEE C=CCNC(=O)[C@@H](Cc1ccc(OC(C)=O)cc1)NC(=O)C1CCN(C(=O)c2ccccc2)CC1 1860928382 AGBWCELUURKCCN-XMMPIXPASA-N 477.561 2.494 30 10 JEEE O=C(C1=C(O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccc(O)c(O)c1)c1c(F)cc(F)cc1F 1862458153 HCSHISGSPOFGIK-HXUWFJFHSA-N 478.423 2.426 30 10 JEEE C=CCOc1ccccc1[C@H]1C(C(=O)NCCN(C)C)=C(N)Oc2c1c(C(F)(F)F)nn2C 1864321779 ADUNCODHUZELGZ-OAHLLOKOSA-N 465.476 2.376 30 10 JEEE CCCCCCCCn1cc(OCC(=O)NCCCO)c(=O)cc1CN(CCOC)CCOC 1870356412 NQBFGOMZDQZPDS-UHFFFAOYSA-N 483.650 2.181 30 10 JEEE C=CCn1cc(OCC(=O)Nc2cc(C(C)(C)C)ccc2OC)c(=O)cc1CN(CCO)CCO 1870642626 SEOIUYGDSITPCQ-UHFFFAOYSA-N 487.597 2.145 30 10 JEEE COC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1cccc(OC)c1OC 1874336690 GZZQLCYUFCSIJL-WPZNHYQYSA-N 461.544 2.167 30 10 JEEE C=C(C)CSc1nnc(CNC(C)=O)n1/N=C/c1ccc(OCCN2CCOCC2)c(OC)c1 1874433618 ZAJYUQJCNHWMJL-AFUMVMLFSA-N 488.614 2.184 30 10 JEEE C=CCn1c(C(=O)N2CCC(N(C)C)CC2)cc2c(NCCCN3CCCC3=O)ncnc21 1875226359 APFXAGMYCHNWRM-UHFFFAOYSA-N 453.591 2.208 30 10 JEEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)c3ccnc(Br)c3)CC2)CC1 1891074412 OEDPGGHHCMIYDN-UHFFFAOYSA-N 463.420 2.495 30 10 JEEE N#Cc1nccnc1O[C@@H]1CCCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc(Cl)c2)C1 1892008809 QXTVYFXFFUOBSD-APWZRJJASA-N 475.958 2.225 30 10 JEEE N#CCCNC(=O)C[S@@](=O)CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 2019049267 SAXRPPIZILRPOM-TXRXYBTHSA-N 483.546 2.147 30 10 JEEE CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2185161534 ICMYYTHFRFHKAZ-LJQANCHMSA-N 459.396 2.153 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2C[C@H](OC)C[C@@H]2CNC(=O)OC(C)(C)C)C1 2255160895 UHVWPXAGUDXYPE-IHSWXRNOSA-N 451.564 2.434 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCOC[C@H]1NC(=O)c1csc(B2OC(C)(C)C(C)(C)O2)c1 2255705137 QLPGIUXDRWQPEB-HUUCEWRRSA-N 452.382 2.459 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)NCc1sccc1B1OC(C)(C)C(C)(C)O1 2256622986 OFKDSDQPERYKIX-ZFWWWQNUSA-N 452.382 2.034 30 10 JEEE Cc1cc(C(=O)N2C[C@H](O)C[C@@H]2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2267160227 OMNNMSBQVNHUSW-HUUCEWRRSA-N 466.409 2.456 30 10 JEEE CC(C)(C)OC(=O)N[C@]1(C(=O)O)CCN(C(=O)c2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2267172951 FCAFYVQSPVXBBC-OAQYLSRUSA-N 466.365 2.241 30 10 JEEE CC1(C)OB(c2cnsc2C(=O)NCC[C@H]2CN(Cc3ccccc3)CCO2)OC1(C)C 2267173755 PCDZIEKFLKNCGJ-SFHVURJKSA-N 457.405 2.463 30 10 JEEE CC(C)(C)OC(=O)N1[C@H]2C[C@H]1CN(S(=O)(=O)c1cccc(B3OC(C)(C)C(C)(C)O3)c1)C2 2267370258 JRVVSPOROVYPKK-IRXDYDNUSA-N 464.393 2.368 30 10 JEEE CO[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)c1occc1B1OC(C)(C)C(C)(C)O1 2267488113 RMFHVRDWAAIPAU-CVEARBPZSA-N 450.341 2.333 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(CCO)CCCNC(=O)OC(C)(C)C 2267528562 FSWVHOXHTPAWKQ-UHFFFAOYSA-N 469.413 2.100 30 10 JEEE CC(C)(C)OC(=O)N[C@H](C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)[C@H]1C[C@@H]2C[C@@H]2C1 2268720814 BMHYEFLKERUVIM-CRWXNKLISA-N 464.397 2.137 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@](O)(CNC(=O)c2ccc(F)cc2B2OC(C)(C)C(C)(C)O2)C1 2281784292 WQKOOCXLPOALNY-HSZRJFAPSA-N 464.343 2.227 30 10 JEEE CN(CCN1CCN(C(=O)OC(C)(C)C)CC1)C(=O)c1coc(B2OC(C)(C)C(C)(C)O2)c1 2281828560 MBZCAQAFJUKWMQ-UHFFFAOYSA-N 463.384 2.204 30 10 JEEE Cn1ncc(C(=O)N2C[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]3C2)c1B1OC(C)(C)C(C)(C)O1 2281830342 KUHZXXJHNSWKJK-CVEARBPZSA-N 460.384 2.048 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](C2CC(NC(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)C2)C1 2281927163 WLFQZOMCXHLRBQ-QQFBHYJXSA-N 460.384 2.474 30 10 JEEE CC(C)(C)OC(=O)NCCc1nnc(NC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)o1 2282179501 MYWOPVJHUTUFPK-UHFFFAOYSA-N 459.312 2.083 30 10 JEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1CCNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2282181464 GLKVBKNYFWSIGM-HOTGVXAUSA-N 460.384 2.399 30 10 JEEE C[C@H](NS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2282287767 FCZZXUONCCLVPV-JKSUJKDBSA-N 481.424 2.305 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCCOCCNC(=O)OC(C)(C)C 2282319920 AWQXXGVSTFXPHM-UHFFFAOYSA-N 484.424 2.114 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2282395419 MAUNKDZWQBFYSQ-RDTXWAMCSA-N 464.343 2.083 30 10 JEEE CC(C)(C)OC(=O)N[C@@]12CC[C@@](CNC(=O)c3ncsc3B3OC(C)(C)C(C)(C)O3)(C1)OC2 2282522740 OLKFCQBMKRJMMT-VXKWHMMOSA-N 479.408 2.389 30 10 JEEE CCn1cc(C(=O)NC[C@@H]2[C@@H]3C[C@H]3CN2C(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2282545559 XDIUIMKMBXPJEN-ZMSDIMECSA-N 460.384 2.187 30 10 JEEE Cn1nc(C(=O)NCC2(F)CC(NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2282550661 BSPPXJJMKOWGDI-UHFFFAOYSA-N 486.781 2.498 30 10 JEEE Cc1c(C(=O)N=[S@](C)(=O)CCN(C)C(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282550854 FJPTZCMGZMZQPD-MGBGTMOVSA-N 484.428 2.133 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NCc1cnn(C)c1NC(=O)OC(C)(C)C 2282681330 WIBWPHAJOFZWIV-UHFFFAOYSA-N 459.356 2.335 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1C[C@@H]2OCCN(Cc3ccccc3)[C@H]2C1 2282683077 YDXCDOFLKPJURJ-VXKWHMMOSA-N 451.376 2.050 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1(C)C 2282697717 UQGSTXPRPRCRPL-ZBFHGGJFSA-N 460.384 2.445 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@H](CC(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)C1 2284126973 XLJGSCIMFORDER-OAHLLOKOSA-N 481.424 2.332 30 10 JEEE COc1cc(C=Nn2c(SCCCO)nnc2[C@@H]2CC(=O)N(C(C)C)C2)cc(OC)c1O 2329045257 PHRKCNMMVAQRKT-OAHLLOKOSA-N 463.560 2.082 30 10 JEEE C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2scc(B3OC(C)(C)C(C)(C)O3)c2C1 2336496818 IPNQCAUAUNUQTF-GUYCJALGSA-N 466.409 2.206 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1C[C@H]2[C@H]1CCN2C(=O)OC(C)(C)C 2362355078 YASVWLOJYAKPJX-JYJNAYRXSA-N 460.384 2.095 30 10 JEEE COc1nc(OC[C@H]2CCS(=O)(=O)N2C(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2365376456 VJOIIPDKTCATAZ-CQSZACIVSA-N 484.380 2.107 30 10 JEEE CCOc1ccccc1NC(=O)CSc1nnc(N/N=C/c2cc(OC)ccc2O)n1N 20527467 QKYDFRYIYAPJGV-SSDVNMTOSA-N 457.516 2.282 30 10 JEEE C=CCNC(=O)CN1CCN(CC(=O)Nc2ccc(Br)c(C(F)(F)F)c2)CC1 22813040 JVPPDVSYZMWBON-UHFFFAOYSA-N 463.298 2.326 30 10 JEEE CCN1CCN(C(=O)/C(C#N)=c2/s/c(=C/c3ccc(C)cc3C)c(=O)n2-c2ccccc2C)CC1 97993624 GHDVVBDDAZZZDE-LSYYLFBPSA-N 486.641 2.491 30 10 JEEE O=C(/C=C\c1ccco1)C1=C(O)C(=O)N(CCN2CCOCC2)[C@H]1c1cccc([N+](=O)[O-])c1 111831419 SOCDMVZMXKKINJ-NGXITPROSA-N 453.451 2.498 30 10 JEEE N#Cc1ccnc(-n2cnc(I)c2I)c1[N+](=O)[O-] 310695899 ZWGZJFIVFPMORE-UHFFFAOYSA-N 466.964 2.256 30 10 JEEE COCc1nnc(NC(=O)C[S@](=O)CC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)s1 586299294 LJDKHPNJUICCFG-PAUNIHGJSA-N 467.598 2.068 30 10 JEEE N#C[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)[C@@H](CO)NC(=O)OCc2ccccc2)CC1 1139787768 AXDSSNIOEQDMAG-RTWAWAEBSA-N 456.930 2.336 30 10 JEEE C#CCn1ccc(CN(CC)CC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2C)n1 1169917702 KLUXPNLFVKRVRE-UHFFFAOYSA-N 457.600 2.460 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1ccccc1Cl)N(C)C 1286296704 RDHZYOKKTSTTEO-PWIZWCRZSA-N 495.049 2.025 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CC(=O)N(CCOC)C1 1286305824 PSTGRVIIBGTZFK-MKXGPGLRSA-N 474.606 2.002 30 10 JEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 1286323960 MZDXVXNNKQJUOP-JAXLGGSGSA-N 487.674 2.237 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1CC1(O)CCC1)[C@H]1CCS(=O)(=O)C1 1286386378 ZDFIHJXUDIRDQX-IRXDYDNUSA-N 462.547 2.099 30 10 JEEE C#CCN(c1nnc(Cn2ccc3ccccc32)n1C[C@@](C)(O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1286393826 SEXADAGUKRGRGU-HYBUGGRVSA-N 469.611 2.315 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCOC(C)C)[C@@H]1CCS(=O)(=O)C1 1286398188 HLABHKWTHGHUKR-GUDVDZBRSA-N 452.621 2.248 30 10 JEEE C#CCN(CC#CC)c1nnc(Cc2ccncc2)n1Cc1ccccc1S(=O)(=O)N(C)C 1286427938 IHWSQXNBJMQWDZ-UHFFFAOYSA-N 462.579 2.025 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2[C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 1286480372 MOGBOWFGDKKZHV-IXDOHACOSA-N 459.538 2.229 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCOc2ccc(Cl)cn2)CC1 1286495366 ZLIBYTCFCGHUPV-GOSISDBHSA-N 472.977 2.265 30 10 JEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)c2ccsc2)CC1 1286606247 KMARSUWVJHZCFZ-GOSISDBHSA-N 458.588 2.236 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCOC2CCCC2)CC1 1286662934 BVGNHWGSASJONP-FQEVSTJZSA-N 467.636 2.363 30 10 JEEE Cc1nc(N2CCOCC2)sc1-c1nnc(N(CCC#N)CCC(C)C)n1CC(=O)N(C)C 1289158196 CYYXTVGYLUQKKA-UHFFFAOYSA-N 474.635 2.401 30 10 JEEE Cc1cc(C)n(Cc2nnc(N(C)Cc3cccc(C#N)c3)n2CC2CCS(=O)(=O)CC2)n1 1290597185 AUFAGSRQGAOQSC-UHFFFAOYSA-N 467.599 2.473 30 10 JEEE CN(CCN1CCOCC1)c1nnc(COc2ccc(C#N)cc2)n1CCNC(=O)OC(C)(C)C 1298740159 DVJSKUMNBQXCEM-UHFFFAOYSA-N 485.589 2.022 30 10 JEEE CNC(=O)c1cccc(CCn2c(Cn3nc(C)cc3C)nnc2N2CC[C@](F)(C#N)C2)c1 1299052315 HMEGSMVAWVBTRG-QHCPKHFHSA-N 450.522 2.184 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC1(OC)CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1300496968 WTUYLKKRSKDBRD-JVVKFSLBSA-N 464.632 2.394 30 10 JEEE C#CCN(c1nnc(CCCc2ccccc2)n1Cc1cc(C)no1)[C@H]1CCS(=O)(=O)C1 1300502808 XUSCCVIUVWOHQU-FQEVSTJZSA-N 453.568 2.425 30 10 JEEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CC[C@H](F)C1)[C@H]1CCS(=O)(=O)C1 1300504625 PEFXHFRJYUJQQL-IKGGRYGDSA-N 479.603 2.035 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@H](C)N2CCN(CC)CC2)CC1 1300684292 ZHRAOICUJIMDAO-VXKWHMMOSA-N 483.636 2.338 30 10 JEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccn(Cc3ccccc3)n2)CC1 1301065233 CSCOEFSVKUXNOT-GOSISDBHSA-N 455.588 2.338 30 10 JEEE C=C1CCN(c2nnc(COc3ccc(C)cc3)n2CCNS(=O)(=O)Cc2ccon2)CC1 1301095751 NXUJLMPGHNKGFS-UHFFFAOYSA-N 472.571 2.430 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](CN2CCOCC2)C1 1301136745 BRNVXGRFEDLOTB-RTBURBONSA-N 468.668 2.039 30 10 JEEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2c(Cl)cccc2C1 1301258127 LXJZWRPEEMNJDM-HXUWFJFHSA-N 496.033 2.420 30 10 JEEE C=CCN(C)c1nnc(CN2CCCC2=O)n1C[C@@H]1C[C@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1301305485 ZMLZGZFXDQQBFH-OKZBNKHCSA-N 460.579 2.047 30 10 JEEE C=CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 1301449917 JIMDMEGPTZKJSF-GOSISDBHSA-N 472.615 2.500 30 10 JEEE C=CCNC(=O)Cn1c(C2CC2)nnc1N(CCO)Cc1ccc(F)c(Br)c1 1301498515 PRDNASFRSFNVNF-UHFFFAOYSA-N 452.328 2.358 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(COc3cc(C)ccc3C)n2CC2(O)CCS(=O)(=O)CC2)C1 1301566133 MRMRABMHQUGVJT-HXUWFJFHSA-N 490.626 2.195 30 10 JEEE CC(C)NC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2ccccn2)CC1 1303459583 CJCKTYPFYUDJLC-UHFFFAOYSA-N 488.596 2.013 30 10 JEEE CCOC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCSCC2)CC1 1314018598 BYPXTFGWCDKSLX-UHFFFAOYSA-N 455.588 2.144 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CCCCn2ccnc2C)c1 1358902487 PRRNFGNIUMVCOF-OAQYLSRUSA-N 474.569 2.271 30 10 JEEE C#CCCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1358916704 UJLZTLLABDVAOQ-UHFFFAOYSA-N 494.640 2.258 30 10 JEEE C#CCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1358916881 ZOPPKVKBJCGSFX-UHFFFAOYSA-N 456.572 2.004 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCCSCC)[C@H]1CCS(=O)(=O)C1 1358964564 BGDKTISOABCGHB-KRWDZBQOSA-N 453.659 2.404 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCCN1CCCO[C@@H](C)C1 1358985741 GMWFUHYMZPOXIU-WIOPSUGQSA-N 457.619 2.283 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1CC1(C(=O)NCC)CCC1 1359025570 SQAADHOOXFQCAL-FQEVSTJZSA-N 453.543 2.183 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CCC(=O)N[C@H](C)CC)CC1 1359045445 HTUYTLJRXOVDLS-GOSISDBHSA-N 468.577 2.279 30 10 JEEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1359051067 LFANURWTJKEERQ-LJQANCHMSA-N 497.625 2.353 30 10 JEEE C=C(Cl)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)NCC)CC1 1359152497 YVACBPVFWMGDLH-MRXNPFEDSA-N 484.001 2.191 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(O)(C(F)(F)F)CC1 1359293999 HMIHDIXAYVCGQK-UHFFFAOYSA-N 454.409 2.049 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC(OC[C@H]2CCOC2)CC1 1359296351 GMEYAFFPYLKWSI-SFHVURJKSA-N 455.559 2.278 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2conc2COC)C1 1359314755 HKHSZOYASWLDRG-SFHVURJKSA-N 473.555 2.313 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1359332213 RSUSLXDQCSOWQL-ZWKOTPCHSA-N 483.635 2.219 30 10 JEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCN(Cc2ccc(OC)cc2OC)C1=O 1449159808 FUGXTBQSCDTVOE-OALUTQOASA-N 459.543 2.228 30 10 JEEE C=CCC[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1)C(=O)OCC 1449692879 IDDVTQHNJRECAJ-QAPCUYQASA-N 453.517 2.010 30 10 JEEE C#CCn1cc(CNC(=O)c2ccccc2NS(=O)(=O)c2ccc3c(c2)OCCO3)cn1 1467726902 QXCUUGFKEORKIR-UHFFFAOYSA-N 452.492 2.018 30 10 JEEE COc1ccc(S(=O)(=O)N2CCC(CNC(=O)N[C@@H]3CC[C@H](C#N)C3)CC2)cc1OC 1468812988 GETBZJZQVKHNTH-DLBZAZTESA-N 450.561 2.096 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCS(=O)(=O)N1CCSCC1 1507518420 UZIJFQOFYAGQNV-DLBZAZTESA-N 481.619 2.394 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@]1(O)CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1507630177 ULUSHTPMXZJZEI-YZZKKUAISA-N 458.584 2.132 30 10 JEEE C#CCN(c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H](C)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1507633828 IXUJVKGUVVALOT-JQVVWYNYSA-N 487.626 2.148 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CCCOC1)[C@@H]1CCS(=O)(=O)C1 1507639194 WLLKIXRFJJXNAP-UAFMIMERSA-N 464.632 2.250 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccccc2Br)n1CCCN(C)S(=O)(=O)CC 1507646320 DGTZHNWGNOBLIQ-UHFFFAOYSA-N 478.416 2.452 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1507657279 UXMWTGLKDRGTKS-GOSISDBHSA-N 450.543 2.190 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccn2C)n1Cc1ccccc1CN1CCC(O)CC1 1507708863 ODOWHXKBJBKFTI-UHFFFAOYSA-N 462.598 2.375 30 10 JEEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1507755221 CLQNQEOGVUYSAS-IBGZPJMESA-N 464.599 2.028 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1COC 1507821304 YMVVHGZDWBMDJM-FQEVSTJZSA-N 463.604 2.208 30 10 JEEE C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1507823257 YUCLJEBITYUOSJ-OAHLLOKOSA-N 462.352 2.378 30 10 JEEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1507846840 ZLDZAVDLFIVPTF-FQEVSTJZSA-N 464.574 2.254 30 10 JEEE C=C(C)COCCn1c(Cn2ccc3ccccc32)nnc1N(C)CC(=O)N1CCOCC1 1507847160 HFFMACRQYYUPCB-UHFFFAOYSA-N 452.559 2.169 30 10 JEEE C=CCCCCn1c(Cc2cn3ccccc3n2)nnc1N1CCCN(S(C)(=O)=O)CC1 1507938913 KVVYZCHTMARHNC-UHFFFAOYSA-N 457.604 2.345 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@H]2COCCO2)C1 1508114600 BSWACUSIDXVZCD-ROUUACIJSA-N 460.531 2.168 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(N(CC)CC)nc2)C1 1508122141 CLZRDCLSHWNJKJ-VQTJNVASSA-N 474.631 2.251 30 10 JEEE CC(=O)N1CCN(CCn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@H](OCC(C)C)C2)CC1 1508271191 BLEZPVLRDLCVSW-DEOSSOPVSA-N 495.628 2.144 30 10 JEEE C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1)N(C)C1CC1 1510017863 GHRCMVCOHRDMNL-MJGOQNOKSA-N 471.631 2.065 30 10 JEEE Cc1noc(C)c1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1511940658 DABZHOFAOTXUEK-UHFFFAOYSA-N 462.558 2.117 30 10 JEEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](CC)N2CCCC2)C1 1516022095 CRDAYYCKRPVFPF-NHCUHLMSSA-N 471.631 2.209 30 10 JEEE CO[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N(C)C)CC1)C(C)(C)C 1517825933 DTGZTDWVAOVSNI-HXUWFJFHSA-N 453.591 2.088 30 10 JEEE CO[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCCS2(=O)=O)C1 1518590450 CHLLMGDDQGCARB-WOJBJXKFSA-N 459.572 2.311 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(=O)Nc1ccc(F)cc1 1539002761 XHYZGRHHYBGJIV-OAHLLOKOSA-N 469.546 2.474 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@](C)(O)c1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 1539223199 ZKUNONVMCCIXAN-STSQHVNTSA-N 493.029 2.360 30 10 JEEE C#CCN(c1nnc(COc2ccccc2OC)n1C[C@H]1CCC=CO1)[C@H]1CCS(=O)(=O)C1 1539230123 KGKDKXHJTMLFIX-RBUKOAKNSA-N 472.567 2.185 30 10 JEEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCC(=O)N1CCCCC1 1539273287 NVSZOHGNESWRAP-UHFFFAOYSA-N 487.652 2.118 30 10 JEEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1CC1(COC)CCOCC1 1539333974 RJDOYBRHPOBPBS-UHFFFAOYSA-N 455.584 2.176 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1539436491 UNPFJRNCKMJKGP-ZWKOTPCHSA-N 490.402 2.011 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CCN2CCCCC2)CC1 1539484632 XBFVRSDHDSVAMQ-UHFFFAOYSA-N 455.632 2.086 30 10 JEEE C#CCNC(=O)C1CCN(C(=O)c2cc(CN3C(=O)c4ccccc4C3=O)ccc2OC)CC1 1539703380 ZCLYRRAWQOFOPN-UHFFFAOYSA-N 459.502 2.093 30 10 JEEE C=CCCOCCn1c(-c2noc3c2COCC3)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1540034062 VGWIBEZPFZBIJG-MRXNPFEDSA-N 465.576 2.002 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN(c2cccc(OCC)n2)CC1 1540901199 WHUXOJXYHVEAFH-UHFFFAOYSA-N 485.614 2.005 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCOc1ncccc1Cl 1541673864 GFLHASSGFMKGGH-UHFFFAOYSA-N 495.975 2.137 30 10 JEEE CCN1CCCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1547683489 GHMVOLBVCWSWCH-RXVVDRJESA-N 471.631 2.161 30 10 JEEE C[C@H]1CN(CCN(C)c2nnc(COc3ccc(C#N)cc3)n2CCc2ccn(C)n2)C[C@@H](C)O1 1555960459 BNXUJWKUJWHJQN-BGYRXZFFSA-N 478.601 2.250 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)NN3C(=O)c4ccc(Br)cc4C3=O)cc2C1=O 1570789897 GIUUTOCIRNUINL-UHFFFAOYSA-N 454.236 2.172 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccnc(C(F)(F)F)c2)CC1 1588752810 WQBLTIKYSZLSEU-NRFANRHFSA-N 464.492 2.148 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H]2NC(=O)CC2(C)C)CC1 1588811138 ASXDELUBGGFWFF-VQTJNVASSA-N 499.660 2.063 30 10 JEEE C#CCN1CCN(c2nnc(CCN3CCN(c4ccccc4)CC3)n2C[C@@](C)(O)[C@H](C)CC)CC1 1588858096 XRDNWRYCGOAXPK-UFHPHHKVSA-N 493.700 2.195 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2C[C@](C)(O)[C@H](C)CC)CC1 1588907672 DBWSZSSCVMYYNY-NSYGIPOTSA-N 467.570 2.437 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(C(=O)NCC)CCC2)CC1 1588907988 JHVURTABMZBGJV-UHFFFAOYSA-N 473.581 2.089 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCCOC(C)C)CC1 1588908393 QIPGJZPLVLHJCB-UHFFFAOYSA-N 467.570 2.497 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N(C)CCN1CCOCC1 1589568529 KHCGSFGECFHSEU-GHTZIAJQSA-N 474.631 2.019 30 10 JEEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@H](C)C(=O)NC 1593884072 BHIOQSUPPFECKT-ZFWWWQNUSA-N 456.975 2.157 30 10 JEEE C=C1CCN(c2nnc(-c3nn(C(C)C)c(=O)c4ccccc34)n2CCS(C)(=O)=O)CC1 1594083538 RFNDFZNJOJSXPV-UHFFFAOYSA-N 456.572 2.437 30 10 JEEE C=CCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C2CCOCC2)CC1 1594788049 FKHKEVSQHSLZQR-UHFFFAOYSA-N 489.642 2.242 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCCN(CCC)C(=O)C1 1595805425 OVAUMIGOMQUXOJ-UHFFFAOYSA-N 463.579 2.058 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1595812117 NPAMFWCZBGUFRS-UHFFFAOYSA-N 498.609 2.037 30 10 JEEE C=CC1(CC(=O)Nc2cc(CNS(C)(=O)=O)ccc2OC)CN(C(=O)OC(C)(C)C)C1 1628004107 JBTVZPCTZXGFOT-UHFFFAOYSA-N 453.561 2.496 30 10 JEEE C=CCOC[C@@H](NC(=O)c1cccc(S(=O)(=O)N2c3ccccc3C[C@H]2C)c1)C(=O)OC 1635158768 KAJIWTLRZUVWGQ-OXQOHEQNSA-N 458.536 2.301 30 10 JEEE Cn1ncc(S(=O)(=O)N2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)c1Br 1668971349 BPOPZYBTLRQYFW-CQSZACIVSA-N 458.769 2.407 30 10 JEEE N#Cc1ccc(N2CCC[C@@H](NC(=O)Nc3ccc(S(=O)(=O)NC4CC4)cc3)C2=O)cc1 1674631192 BEFCGOLKZOPSOU-HXUWFJFHSA-N 453.524 2.316 30 10 JEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1689875121 KNERMEOOKQCUHP-IAGOWNOFSA-N 468.624 2.137 30 10 JEEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1C[C@@H]1OCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1689995807 AITMGZUWFVNSJM-NQIIRXRSSA-N 488.610 2.308 30 10 JEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCN(CCC)C1 1690013266 IJHSEUJSAFMRIT-LJQANCHMSA-N 453.616 2.043 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc3ccccc3n2)n1CC1(CS(C)(=O)=O)CC1 1690098950 XLVIZNSLLMVNJO-UHFFFAOYSA-N 453.568 2.404 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H]2CCC[C@H](O)C2)CC1 1690110515 PGQMDKRPUQPCDR-CTNGQTDRSA-N 471.005 2.168 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCOCCN(C)C 1690190111 LMFPNYLUCOOMOM-HSZRJFAPSA-N 458.994 2.432 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(NC(C)=O)CC1 1690239391 VTBOIMPVBKJYQV-UGKGYDQZSA-N 487.626 2.435 30 10 JEEE C=C(C)Cn1c(N2CCCN(c3nccc(OCC)n3)CC2)nnc1[C@@]1(OCC)CCOC1 1690298232 ULGVBEPBHIKCMJ-HSZRJFAPSA-N 457.579 2.412 30 10 JEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 1690299063 CWIMMRJRCFDEIE-QGZVFWFLSA-N 459.551 2.191 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCC(NC(C)=O)CC1 1690665843 RHAJAVJEMFVZHT-UHFFFAOYSA-N 470.574 2.148 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@H](C)C1 1690717351 CSBQQURCJVTEAK-KRWDZBQOSA-N 481.644 2.033 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1c(F)cccc1Cl 1690723548 VKSIQQHQEQHANZ-MRXNPFEDSA-N 455.943 2.259 30 10 JEEE C[C@](O)(Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(N)=O)C1)c1ccsc1 1692812249 HGDPAKKIBMBSLY-HXOBKFHXSA-N 466.567 2.400 30 10 JEEE CC[C@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC1(C(N)=O)CCCC1 1694125044 CQDIANLYMGSPOY-DLBZAZTESA-N 451.579 2.214 30 10 JEEE CCc1nc(CCn2c(-c3cccc(C#N)c3)nnc2N2CCN(S(C)(=O)=O)CC2)cs1 1694582495 AUHXWPXJRDPOIT-UHFFFAOYSA-N 471.612 2.160 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCC(C)(C)C1CC1)[C@H]1CCS(=O)(=O)C1 1705560293 JMFMTQBJNRUQIE-SFHVURJKSA-N 470.599 2.378 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1C[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1705561620 VDRQHBJFNVJZFR-RCCFBDPRSA-N 462.547 2.220 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCc1csc(CC)n1)[C@H]1CCS(=O)(=O)C1 1705567041 SQWMVFUNJAANCS-ROUUACIJSA-N 463.629 2.408 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CCOc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1705570279 NUXTYSWOHQCDJK-FQEVSTJZSA-N 469.542 2.109 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2CC[C@@]2(O)C[C@H]3CC[C@H]2C3)CC1 1705644319 MLFSCSOBLSCRIT-STTRJGPESA-N 484.645 2.104 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H]2CCSC2(C)C)CC1 1705645508 WBYMWNVQTPFJPA-CYFREDJKSA-N 475.659 2.428 30 10 JEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 1705652586 FQGPNXTVTKJNPU-JKSUJKDBSA-N 450.609 2.132 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1705707875 TVHNHCZUPMAFBL-DYQZNNLLSA-N 460.623 2.148 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1705791383 UWAPIHWJKLCTTK-WOJBJXKFSA-N 471.650 2.355 30 10 JEEE C=CCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(=O)C(C)C)CC1 1705827028 QWGWCFKECXYCFJ-UHFFFAOYSA-N 475.615 2.246 30 10 JEEE C=CCN(c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCN1CCOCC1)C1CC1 1705854651 YCZHNTKIPHUEIH-HXUWFJFHSA-N 476.622 2.464 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@]1(C)COCCO1 1705863554 XDEDIESCSATYKY-KKSFZXQISA-N 467.567 2.026 30 10 JEEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2ccc(Br)cc2)C1 1705887098 OGYQQQQVBDZGKE-BBRMVZONSA-N 470.393 2.415 30 10 JEEE C=CCn1c(N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1705893428 HVLGQTJVKYQNQP-DEOSSOPVSA-N 472.565 2.405 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@@](C)(C(N)=O)C1 1705933632 NTLCJOYBVDRMNX-LJQANCHMSA-N 455.943 2.040 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1CCSC(C)C)[C@H]1CCS(=O)(=O)C1 1722363399 SGQKDCSYHSNJIH-KRWDZBQOSA-N 462.597 2.442 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCOCC(=C)C)CC1 1722447518 MFKYUPDANCTGTN-JOCHJYFZSA-N 465.554 2.349 30 10 JEEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1722483404 GTUSJHOTGFTTCU-SNVBAGLBSA-N 460.258 2.373 30 10 JEEE C=C(C)COCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(CNC(C)=O)CC1 1722538013 SOPJHEKZDWRPSN-UHFFFAOYSA-N 482.633 2.397 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1)C(C)C 1722664651 DVGHMABSFQBXLP-AQNXPRMDSA-N 455.563 2.491 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CC[C@@H](C)[C@H](OC)C1 1722697646 NPJKZXYJUXRLIE-YLJYHZDGSA-N 479.585 2.399 30 10 JEEE C=CCOc1ccc(Cn2c(-c3cnccn3)nnc2N2CCC[C@H](CNS(C)(=O)=O)C2)cc1 1722706162 PGWJZMSAZJLLLU-LJQANCHMSA-N 483.598 2.114 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCO[C@H](C)C1 1722728326 PUIPCGZSFRXPRQ-QGZVFWFLSA-N 483.635 2.219 30 10 JEEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCOC[C@@H]2CCCO2)[C@@H](C)C1 1722781839 KFWFOZDOOCIXNM-AVRDEDQJSA-N 452.559 2.459 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CC1(N2CCOCC2)CCCCC1 1723940713 CLRZHTHRSYZYCA-SIKLNZKXSA-N 493.678 2.053 30 10 JEEE C[C@H]1CC(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)C[C@H](C)O1 1726477491 HACQHEKCHKUSRZ-BZSNNMDCSA-N 472.615 2.490 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1CC1(C(=O)N(C)C)CCCC1)[C@@H]1CCS(=O)(=O)C1 1740622186 VWTFRLJVMVEOQN-LJQANCHMSA-N 499.637 2.229 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@H]1CCCCN1CCC)[C@@H]1CCS(=O)(=O)C1 1740626097 JMNRKDWOJDVFTN-NJYVYQBISA-N 463.648 2.411 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC1CCC(OC)CC1)[C@H]1CCS(=O)(=O)C1 1740627857 SWAMSAJKDHCRNI-PCODVIEZSA-N 450.605 2.352 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2CC[C@@H](C(F)F)N2CCOCC2)CC1 1740694103 YOIKNADRBOMCJJ-FQEVSTJZSA-N 474.556 2.065 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2Cc2nnc(CC)s2)CC1 1740701413 GQPTYMOTXZIJRQ-UHFFFAOYSA-N 495.609 2.390 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccc(CN(CC)CC)c2)CC1 1740705234 DTADRPTZLGVPFT-QHCPKHFHSA-N 491.640 2.085 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@](C)(O)c2cc(C)oc2C)CC1 1740706935 JCBWFCPSTJDZHO-SANMLTNESA-N 476.581 2.347 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(CS(C)(=O)=O)CC1 1740770538 WCBTZKRMEPWRLU-UHFFFAOYSA-N 456.576 2.148 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C(=O)NCCCC)CC[C@@H]1C 1740810485 CWJDPOKEUMFILN-YESZJQIVSA-N 458.028 2.454 30 10 JEEE C=CCCOCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1740888385 MIZZXBBSFQIVCH-VGSWGCGISA-N 461.588 2.247 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC(S(=O)(=O)CC)CC1 1740953111 VXFYSOWYTKSXTA-MRXNPFEDSA-N 479.578 2.263 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@H](N2CCCCC2)C1 1740953401 FHGDFRYJEKIGOC-IBGZPJMESA-N 454.575 2.329 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCC(C)(C)C2CC2)C1 1740982196 SBNUHWJRVGSOFX-MOPGFXCFSA-N 467.636 2.219 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1740988487 GJSDIELUDFAAIC-LSTHTHJFSA-N 476.599 2.424 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1740992627 SDRFTJYFSMPKPM-IBGZPJMESA-N 464.636 2.186 30 10 JEEE CNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCCO[C@H](C)C2)C1 1748171547 DRSUTSZEXSXCSV-KNQAVFIVSA-N 465.602 2.280 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CC[C@](C)(O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1748818720 DZQTUGQFJGJJMV-DHLKQENFSA-N 479.606 2.188 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1CCCOC(F)F)[C@@H]1CCS(=O)(=O)C1 1748818889 HLLPHCVSGRAHMO-GOSISDBHSA-N 452.527 2.433 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1CC1(C)CCOCC1)[C@H]1CCS(=O)(=O)C1 1748819203 MCUHNKVQIAIQQV-FQEVSTJZSA-N 472.611 2.321 30 10 JEEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1Cc1ccc(C)nc1)[C@@H]1CCS(=O)(=O)C1 1748823890 DUHXQROWQKUPBV-HXUWFJFHSA-N 481.578 2.244 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1CC(C)(C)N1CCC(OC)CC1 1748868507 YBVBEAPRNIPPEA-RUZDIDTESA-N 457.619 2.283 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2c(F)cccc2OC(F)F)CC1 1748978567 MWEBEPKPLIYARH-HSZRJFAPSA-N 479.503 2.474 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2ccc(N3CCCCC3)nc2)CC1 1748979038 VSXADURMVVOIDP-OAQYLSRUSA-N 467.618 2.191 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCCCN2CCC[C@H](C)C2)CC1 1749009049 LJODUUQGQMLLRJ-FQEVSTJZSA-N 466.634 2.157 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(OC)c(C)c1 1749268558 CJNQFOKWEJJTSQ-SFHVURJKSA-N 469.995 2.317 30 10 JEEE C=CCN(CCOC)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@]1(O)CCS(=O)(=O)C1 1749592244 DSICBVIADNOSGH-QFIPXVFZSA-N 480.656 2.464 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N(C)CC(=O)N(C)[C@@H](C)c1ccccc1 1749669968 MQGJQCJKNKVERR-ICSRJNTNSA-N 454.575 2.478 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN(c2ccc(C)cc2)C(=O)C1 1749729780 RYOOVDCUFWMCRC-UHFFFAOYSA-N 468.583 2.046 30 10 JEEE CS(=O)(=O)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CC[C@H](F)C2)CC1 1750208071 FJSSOKRZLFTLJC-OALUTQOASA-N 476.578 2.339 30 10 JEEE C[C@@]1(C#N)CCCN(c2nnc(CN3CCCC3=O)n2CCOc2ccc(S(C)(=O)=O)cc2)C1 1751275956 ANRPWYUNAGMZSH-QHCPKHFHSA-N 486.598 2.013 30 10 JEEE Cc1nn(C)c(N2CCN(c3nnc(-c4ccc[nH]4)n3C[C@@H](CC(C)C)N(C)C)CC2)c1C#N 1751827361 CFKIAHNNMZEZDM-LJQANCHMSA-N 464.622 2.490 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1760106775 GQAGEQTZLMKKRL-PKOBYXMFSA-N 452.559 2.074 30 10 JEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1760130093 DYWZYOFLKZKSFP-CYBMUJFWSA-N 471.509 2.063 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1 1760218921 QEVRFPSHMZZLSZ-HBMCJLEFSA-N 459.660 2.400 30 10 JEEE C=C(Cl)Cn1c([C@@H](C)OCCOC)nnc1N1C[C@H](OC)C[C@H]1c1nnc2n1CCC2 1760366797 JHOMQOJTNJJYAM-OAGGEKHMSA-N 451.959 2.259 30 10 JEEE C=CCN(c1nnc(C(=O)N2CCCC2)n1CCNS(=O)(=O)c1ccc(C)s1)C1CC1 1760468745 GJTPMBQAYQDGIU-UHFFFAOYSA-N 464.617 2.017 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N(C)C1CCC(NC(C)=O)CC1 1760517472 MZMCNONWFPGJOO-UHFFFAOYSA-N 470.574 2.148 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N(C)Cc1ccccc1Br 1760548471 HDKKIBMBPDUUJJ-UHFFFAOYSA-N 484.420 2.416 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)C[C@@H](C)C#N)n1CC(C)(C)c1ccc2c(c1)OCCO2 1760688148 BPZPTSBLRUNICR-HOTGVXAUSA-N 476.603 2.233 30 10 JEEE CCOCc1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CCCN1CCOCC1 1766395257 AAWQWYXDRNSXJE-UHFFFAOYSA-N 453.591 2.125 30 10 JEEE COC(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCC2(O)CCOCC2)C1 1767878620 CZUHZWYLNQTGNJ-IBGZPJMESA-N 469.542 2.050 30 10 JEEE CN(C)[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CC(N)=O)CC1)C1CC1 1768484190 FJMPAEYYNXFAJS-NRFANRHFSA-N 451.575 2.161 30 10 JEEE C=CCO[C@@H]1CCN(C(=O)NC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2)C(F)(F)F)C1 1772658358 BEOCARZWZWHSFV-CVEARBPZSA-N 450.502 2.457 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)[C@@H](C)Oc3cccnc3NC(=O)N3CCN(C)CC3)cc21 1858828727 AUPHOWMAIGLNLL-QGZVFWFLSA-N 479.537 2.423 30 10 JEEE COc1cc([C@H]2C(C(=O)c3c(F)cc(F)cc3F)=C(O)C(=O)N2CCO)cc(OC)c1O 1862463192 PMVDMBWXSKRHRG-KRWDZBQOSA-N 453.369 2.397 30 10 JEEE C=CCN(CC=C)C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1ccc(OC)c(S(C)(=O)=O)c1 1868799291 DEOVTTHGCDVJAD-FQEVSTJZSA-N 472.563 2.346 30 10 JEEE C=CCc1ccccc1OC1CN(C(=O)[C@@H](CCS(C)(=O)=O)N2C(=O)c3ccccc3C2=O)C1 1869907335 ZAEQSUJJOOPEBE-OAQYLSRUSA-N 482.558 2.104 30 10 JEEE CC(C)c1ccc(Cn2nnc(C#N)c2NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 1870110638 AUTFQQJVOCDBGH-UHFFFAOYSA-N 473.449 2.464 30 10 JEEE C=CCn1cc(OCC(=O)NCCC)c(=O)cc1CNc1ccc(N2CCN(C)CC2)cc1 1871133641 QGFILBOKLKPKME-UHFFFAOYSA-N 453.587 2.303 30 10 JEEE CCCOC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1ccc(O)cc1O 1874339127 JXCKVMIEDVSWFY-GTQIFZCBSA-N 461.544 2.341 30 10 JEEE COc1cc(/C=N/n2c(SCCO)nnc2[C@H]2CC(=O)N(C(C)C)C2)cc(Cl)c1O 1874341801 SIZYXTFDGDJBRQ-UWPAOYMWSA-N 453.952 2.337 30 10 JEEE CN1CCN(CC#CCOC2CCN(C(=O)c3cc(Br)ccc3[N+](=O)[O-])CC2)CC1 1891264923 YBBXJAJMIHZCGD-UHFFFAOYSA-N 479.375 2.229 30 10 JEEE CC(C)N1C(=O)CS[C@@H](C(=O)N2CCC(NS(=O)(=O)C3CC3)CC2)[C@H]1c1ccc(C#N)cc1 1891402096 SEFVFCOMUBIOLB-FGZHOGPDSA-N 490.651 2.025 30 10 JEEE CS(=O)(=O)N1CCC(NC(=O)C2CCN(c3oc(-c4cccs4)nc3C#N)CC2)CC1 1892380035 KLGIJQMZVYNKIX-UHFFFAOYSA-N 463.585 2.031 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)N1CCC[C@H](B2OC(C)(C)C(C)(C)O2)C1 2124533308 OGIRFRJDWNCWDW-HOTGVXAUSA-N 474.429 2.399 30 10 JEEE CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)N1C[C@H]2C(B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2180983805 FTUIFWHEBVBVFQ-RKVPGOIHSA-N 465.400 2.203 30 10 JEEE C=C(CCNC(=O)OC(C)(C)C)CNC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](O)C(F)(F)F 2246878950 JMCCVCJGYSSICY-STQMWFEESA-N 455.474 2.390 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CO)CNC(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1Cl 2255544854 GXVCQHYWNDXUKY-ZDUSSCGKSA-N 454.760 2.255 30 10 JEEE Cc1sc(C(=O)NC[C@H](CO)NC(=O)OC(C)(C)C)c(C)c1B1OC(C)(C)C(C)(C)O1 2255601779 JCDOYIPOYFSYRK-CQSZACIVSA-N 454.398 2.280 30 10 JEEE Cn1nc(C(=O)N[C@@H]2C[C@@H]2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2255651469 WSDODUOGENXGPM-VXGBXAGGSA-N 454.764 2.016 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@H]1CNC(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2255877511 KBGTYSWOVXGRDU-CQSZACIVSA-N 452.382 2.413 30 10 JEEE C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1cc(B2OC(C)(C)C(C)(C)O2)cs1 2256621746 YOPJBGLMORWPQZ-XJKSGUPXSA-N 454.398 2.280 30 10 JEEE CCO[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)[C@H]1NC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2267153428 BOQMUPKDOLYHOL-RBSFLKMASA-N 467.397 2.243 30 10 JEEE Cc1nc(C(=O)N[C@@H]2COC[C@@H]2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2267166420 RRECULRDGYHDQN-UONOGXRCSA-N 467.397 2.020 30 10 JEEE CON(CCNC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2267364506 ACJFAVSZTIDCHB-UHFFFAOYSA-N 474.360 2.202 30 10 JEEE CO[C@H]1[C@H](CNC(=O)C2(B3OC(C)(C)C(C)(C)O3)CC2)N(C(=O)OC(C)(C)C)C[C@H]1OC 2267502601 QDJUWHQAPSOOIM-XHSDSOJGSA-N 454.373 2.378 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@H](NC(=O)C(F)(F)F)[C@@H](C)C1 2267527527 IVYAJHJCUYBRJU-JQWIXIFHSA-N 461.315 2.280 30 10 JEEE Cn1ncc(C(=O)NCC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2281811405 DINSBGUSUVKMIA-INIZCTEOSA-N 462.400 2.486 30 10 JEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CN(C(=O)OCc3ccccc3)CC23CCC3)n1 2281956007 SAGAZZPVLVVZSX-SFHVURJKSA-N 495.389 2.035 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N=[S@]1(=O)CC[C@H](NC(=O)OC(C)(C)C)C1 2281971382 HPTPZVGTLBJCLU-UUBFPDNSSA-N 482.412 2.107 30 10 JEEE Cn1cc(C(=O)N2CC3(CCC[C@H]3NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2281980443 JMEVLUGJUWMICF-MRXNPFEDSA-N 460.384 2.239 30 10 JEEE Cc1nc(C(=O)N2CCN(C)C[C@H]2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2282140529 WEWGOZAXXWXQLY-OAHLLOKOSA-N 480.440 2.032 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N=[S@]1(=O)CC[C@H](CNC(=O)OC(C)(C)C)C1 2282192082 SIDKBFORVNURFU-CAROCFPZSA-N 481.424 2.477 30 10 JEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)N1S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282351355 ZKAZLLPCXPUHJZ-IYBDPMFKSA-N 481.424 2.399 30 10 JEEE Cc1cc(C(=O)N[C@@]2(CO)CCN(C(=O)OC(C)(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2282701618 XNWGMXQAGABPHL-DEOSSOPVSA-N 460.380 2.396 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](CNC(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)C[C@H]1O 2282715752 KYEFSMUSJUAFKF-ATZDWAIDSA-N 460.380 2.380 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H](NS(=O)(=O)Cc3ncsc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2282831101 FDZQHPLWGZFBFT-SOUVJXGZSA-N 499.464 2.117 30 10 JEEE CN(C1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282834041 OMFVIMNVLDTVPW-UHFFFAOYSA-N 474.436 2.004 30 10 JEEE CON(CCCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(O)cc1O)C(=O)OC(C)(C)C 2282984879 ZPVUOZYFFVQULE-UHFFFAOYSA-N 466.340 2.315 30 10 JEEE CC(C)(C)OC(=O)N1[C@H](C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C[C@@H]2OCC[C@@H]21 2283966878 XSMKAVPSEAHQAG-ULQDDVLXSA-N 459.352 2.486 30 10 JEEE Cn1nnc(CNC(=O)OC(C)(C)C)c1C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)s1 2284062622 HEINWJVDOWZQJN-UHFFFAOYSA-N 477.396 2.131 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H]3C[C@]3(CNC(=O)OC(C)(C)C)C2)n1 2288269338 UASQBMXMACUQDV-WNSKOXEYSA-N 460.384 2.189 30 10 JEEE C[C@H](C(=O)N[C@H]1CCNC[C@H]1C(=O)C=Cc1ccc([N+](=O)[O-])s1)N1C(=O)c2ccccc2C1=O 2328155893 CPGMXTFFJTXSNN-XWIAVFTESA-N 482.518 2.018 30 10 JEEE CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N1CCc2scc(B3OC(C)(C)C(C)(C)O3)c2C1 2336499447 YELGUICERPPPJY-MRXNPFEDSA-N 466.409 2.208 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1CNC(=O)c1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1O 2339406939 KXOGQZALIUQYPO-MLGOLLRUSA-N 450.316 2.474 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@H]2C[C@]1(CNC(=O)OC(C)(C)C)C2 2366381901 KUFGLOGAZRGQNO-GUJKFWMDSA-N 460.384 2.239 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)[C@H]2CCC[C@H]21 2367687109 OITNOFHTYDBYFX-DLBZAZTESA-N 458.368 2.390 30 10 JEEE C=CCn1c(=O)c2sc(N3CCCCC3)nc2n(CC(=O)Nc2ccc(OC)cc2)c1=O 21655650 BLVMJEBXCUWMJQ-UHFFFAOYSA-N 455.540 2.443 30 10 JEEE C=CCn1c(=O)c(=O)n(CC(=O)NCc2cc(Br)ccc2OC)c2ccccc21 33268759 WJTLFWYFUKBREH-UHFFFAOYSA-N 458.312 2.437 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)C[S@](=O)CC(=O)OCCc2ccccc2)nc1C 586305221 UDIKXTMGAIKLQJ-PMERELPUSA-N 450.538 2.267 30 10 JEEE CCC(=NNc1nc(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)n[nH]1)c1ccccc1 1084512799 WEVWJONRKDFSDJ-UHFFFAOYSA-N 459.557 2.409 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCc1cnn(C)c1 1286294085 BGDBNNRXGUJGIL-IEBWSBKVSA-N 457.579 2.411 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](CC=C)c1ccccc1 1286294611 DYPVQYXDSOQRPO-CEWLAPEOSA-N 457.600 2.429 30 10 JEEE C#CCN(c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H](OC)[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1286389742 PSZFIKZTZWRWNW-HLIPFELVSA-N 498.609 2.282 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1c[nH]c2c(CC)cccc12 1286399968 SFWXNIBAXBAVDA-QGZVFWFLSA-N 452.584 2.248 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1CCNC(=O)c1ccc(C)c(F)c1 1286411464 VONNINIEGJXLTD-UHFFFAOYSA-N 469.524 2.467 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(Cl)c(OC)c(OC)c1 1286429998 FJGCJBYRPSFIPV-KRWDZBQOSA-N 476.986 2.362 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)Nc2ccccn2)n1CCCn1ccnn1 1286455643 YBPPXYLMFPRYGE-UHFFFAOYSA-N 459.489 2.386 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1286461406 XTQBJOZCMSXMLE-QGZVFWFLSA-N 499.559 2.319 30 10 JEEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCC[C@@H]1OC 1286462061 CNCIEHKIYDXDMP-MJGOQNOKSA-N 460.604 2.139 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCS(=O)(=O)CC)CC1 1286487372 NREZYPSNBCEXOI-UHFFFAOYSA-N 481.981 2.138 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CC[C@H]2CCO[C@H](C)C2)CC1 1286493389 UVKKDODWOICKOE-RTWAWAEBSA-N 467.618 2.311 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1286784847 VUMQLWIISASRMG-UHFFFAOYSA-N 486.020 2.035 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCC(N3CCNC3=O)CC2)cc1 1286794100 WRFCMQQANYXZSV-UHFFFAOYSA-N 467.574 2.023 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1286798848 MBKSBQKLSLMBLA-JOCHJYFZSA-N 496.612 2.306 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Br)c2)nnc1N1CCC[C@@H](C(N)=O)C1 1286815362 SKRPJIWTIZFNQJ-OAHLLOKOSA-N 482.404 2.010 30 10 JEEE C=CCSCCn1c(Cc2csc(C)n2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1286833666 KUQNOWHQZNLOTA-AWEZNQCLSA-N 456.663 2.023 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCc1nc2c(s1)CCCC2 1286959804 HZVHRLHULWRTGY-CABCVRRESA-N 465.649 2.452 30 10 JEEE CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)Cc1c(C)nn(C)c1C 1294911730 FEOKVHFJUZLEBK-UHFFFAOYSA-N 450.547 2.242 30 10 JEEE CN(Cc1ccoc1)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1298420601 BWPASKIIKLVJRX-SFHVURJKSA-N 470.555 2.240 30 10 JEEE COC1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(CC#N)CC2)CCC(C)CC1 1299809496 BLAQTXLODXXWON-WRSRUZKNSA-N 494.662 2.336 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCc1nnc(C)s1 1300283168 LWTOKOVOPIMRKH-HNNXBMFYSA-N 473.628 2.446 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1Cc1ncnn1C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1300498408 KAYOPQFKOYQLMM-LJQANCHMSA-N 485.589 2.030 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@H]1CC(F)(F)CO1)[C@H]1CCS(=O)(=O)C1 1300499403 RFGAYVGXZJQRPP-ZWKOTPCHSA-N 468.501 2.059 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCN(C)C(C)C 1300574698 HCNNISOBEPGDCG-UHFFFAOYSA-N 455.632 2.431 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)c1cccc(C)c1 1300578530 LTZBFDNMXGFOAS-IRLDBZIGSA-N 469.611 2.186 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CC(C)(C)c1ccc2c(c1)OCO2 1300649634 OCNUOMLGUAWLIB-UHFFFAOYSA-N 453.543 2.307 30 10 JEEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CCOC)[C@H](C)C1 1300952574 YTPGVBUAJHCMCF-MOPGFXCFSA-N 464.611 2.320 30 10 JEEE C=C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@]2(C)COCCO2)CC1 1301072589 NMWYMCAFEUBELT-QFIPXVFZSA-N 461.588 2.157 30 10 JEEE C=CCCOCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1301259360 HTPQNIXRWHZQBJ-QFIPXVFZSA-N 470.593 2.344 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CCN(CCOC)[C@H](C)C1 1301492156 YSSKAHQJKSQYAJ-MRXNPFEDSA-N 477.407 2.167 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1301514049 DOSOLTUKCPYCGN-GGAORHGYSA-N 482.629 2.323 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCC[C@H](CC(N)=O)C2)nnc1C1(c2ccccc2)CCC1 1301596354 MGFMCBPHCFNXJV-LJQANCHMSA-N 471.627 2.441 30 10 JEEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCC(CC#N)CC3)n2CCc2ccc(F)c(F)c2)C1 1302478499 HZXJZZCKRVMXCV-FQEVSTJZSA-N 494.568 2.262 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3OCC[C@H]3COC)n2CC(C)(C)OC)c1 1358903804 KLZUYFJTDJNJDL-RXVVDRJESA-N 455.559 2.483 30 10 JEEE C#CCCCCn1c(Cc2ccncc2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1358915267 XUMUGXTZNPBKOA-URXFXBBRSA-N 463.630 2.446 30 10 JEEE C#CCCCCn1c(N2CCN(CC(=O)NC3CC3)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1358917877 DQMWPRFZNSCFQR-TYKWCNGQSA-N 499.660 2.253 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1CCc1ccncc1)[C@@H]1CCS(=O)(=O)C1 1358965583 XLFWZYPQNGORRI-OAQYLSRUSA-N 465.579 2.142 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC1(O)CCOCC1 1359024035 DBOMIWADJSWUJY-FQEVSTJZSA-N 491.633 2.410 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCCC(=O)NC2CC2)CC1 1359035415 SVHBNWWOHUJKHO-HXUWFJFHSA-N 499.660 2.207 30 10 JEEE C=C(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(C(=O)N(CC)CC)CC1 1359121123 XPMIABOZQDKFPZ-UHFFFAOYSA-N 464.574 2.352 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(NC(=O)c2ccc(C)s2)CC1 1359299330 BWSKVEKDWGQTDG-QGZVFWFLSA-N 472.615 2.243 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1359301695 ICGCZTLZDNXFPM-UHFFFAOYSA-N 467.549 2.237 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](c2ccc(F)cc2)C1 1359306755 POEVJIXHLHYKQM-DSKINZAPSA-N 459.522 2.021 30 10 JEEE C=CCSCCn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1359338927 MJPOAEPMUOXRBW-SFHVURJKSA-N 481.644 2.397 30 10 JEEE CC(C)(C)CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCCS2(=O)=O)CC1 1359546496 HBQFVTKPTYHTDJ-UHFFFAOYSA-N 485.658 2.410 30 10 JEEE C=C[C@@H]1OCC[C@H]1NC(=O)[C@@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)[C@@H](C)CC 1460071196 AKPRRAJDWUYKNI-PZGXJPJSSA-N 472.007 2.195 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)N2C[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]32)ccc1F 1469228937 JVZUHEFXYACUEY-NVXWUHKLSA-N 453.536 2.371 30 10 JEEE CC(=O)N[C@](C)(C(=O)N1CCC(c2ccc(C#N)cn2)CC1)c1ccc(S(C)(=O)=O)cc1 1470343310 OHMLGPNGZXNJMX-QHCPKHFHSA-N 454.552 2.114 30 10 JEEE COCCN(C)CCCn1c(-c2cnn(C)c2)nnc1N1CCCN(c2ccccc2C#N)CC1 1504850095 BFNVUSNZMDOKDW-UHFFFAOYSA-N 477.617 2.235 30 10 JEEE N#C[C@@H]1CN(c2nnc(-c3cc(F)ccc3Br)n2CCS(=O)(=O)CC2CC2)CCO1 1505321064 FLYORGNIIPWEQH-OAHLLOKOSA-N 498.378 2.400 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCc2ccccc21 1507671312 IXJRMQWBXBGOJM-FYYLOGMGSA-N 481.622 2.194 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(Br)c3)n2CC2(S(C)(=O)=O)CCC2)CC1 1507717675 FICWEFITCRWPGB-UHFFFAOYSA-N 492.443 2.430 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2CCNC(=O)c2ccccc2F)CC1 1507737703 CCRJECKKSPDCAK-UHFFFAOYSA-N 452.534 2.081 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(CC(N)=O)CC1 1507793679 BKKZXVZNPYEDNH-DENIHFKCSA-N 487.626 2.422 30 10 JEEE C=C(Cl)Cn1c(-c2noc3c2COCC3)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1507863749 JWWOTBAJBMUXEV-LLVKDONJSA-N 460.844 2.263 30 10 JEEE C=CCOc1ccccc1Cn1c(COCC)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1508110093 XWVOFGWGKMPPTB-FQEVSTJZSA-N 475.615 2.432 30 10 JEEE CC(C)NS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1509787290 BAKXCIMFLABUIO-HXUWFJFHSA-N 490.630 2.308 30 10 JEEE CCC[C@](C)(O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1514241670 CNMDFOIZPOVMMR-VWLOTQADSA-N 465.602 2.259 30 10 JEEE CCS(=O)(=O)N(C)CCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CC[C@@](F)(C#N)C1 1516824662 DXPIEKDSMHJSQO-JOCHJYFZSA-N 473.578 2.464 30 10 JEEE C[C@H]1CN(CCN(C)c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCSC2)C[C@@H](C)O1 1520825008 DKDZIUYSIKQWAQ-IXFSTUDKSA-N 456.616 2.230 30 10 JEEE C#CCOc1ccc(CNC(=O)C2(S(C)(=O)=O)CCN(C(=O)OC(C)(C)C)CC2)cc1 1521873512 MSUCAOHMEQSKQN-UHFFFAOYSA-N 450.557 2.129 30 10 JEEE C#CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1539059859 SSTJANQDELWWAL-UHFFFAOYSA-N 476.589 2.354 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(=O)N[C@@H](C)CC)c1 1539323166 DJNBDJMSAHNFAS-SIKLNZKXSA-N 481.622 2.220 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CC2(COC)CCCCC2)CC1 1539467694 XKIFNTCENQUTKH-UHFFFAOYSA-N 470.618 2.077 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccnc(OCC(F)(F)F)c2)CC1 1539482363 SXPFRGKJJNBMPO-SFHVURJKSA-N 492.502 2.132 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2nccn2C(F)F)CC1 1539487880 AIZYMMJFBWIIGB-UHFFFAOYSA-N 494.506 2.334 30 10 JEEE C#CCSCCn1c(COc2cccc(C)c2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1539526956 XREPOTUBCNICNP-UHFFFAOYSA-N 491.621 2.352 30 10 JEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 1539981853 JPAQDUSRFYLILB-ROUUACIJSA-N 466.652 2.329 30 10 JEEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1C[C@@H](C)C[C@H](C)C1 1540863861 HMOSOTXLGFEAOS-HOTGVXAUSA-N 459.620 2.331 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC(O)(C(F)(F)F)CC1 1540864968 QHLCMKCNIGOMEQ-UHFFFAOYSA-N 469.464 2.158 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1540898792 VAKSBYHXMDOAIN-HNNXBMFYSA-N 451.980 2.256 30 10 JEEE C=CCSCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1540911019 RBLPMGHKMJJPGJ-MRXNPFEDSA-N 474.587 2.104 30 10 JEEE CCOC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)NC(C)(C)C)CC1 1547794809 GERNIKVIFJMYNO-UHFFFAOYSA-N 453.547 2.400 30 10 JEEE CN(c1nnc(COc2ccc(C#N)cc2)n1C[C@H](c1ccco1)N(C)C)[C@H]1CCS(=O)(=O)C1 1552794086 CZDFHIMCLFVBDM-AZUAARDMSA-N 484.582 2.248 30 10 JEEE N#Cc1ccc(OCc2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2CCCN2CCOC2=O)cc1 1555990019 CKNWXWBXQSYJQY-QGZVFWFLSA-N 480.447 2.339 30 10 JEEE C=CCN(c1ccccc1OC)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@@H](O)[C@@H](O)C2)c1 1557961512 AFTBPRUFPZQWBT-UXHICEINSA-N 480.970 2.298 30 10 JEEE COC(=O)c1cc(S(=O)(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)c(C)o1 1561726391 CKIGZFFSISQUQD-UHFFFAOYSA-N 455.496 2.147 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCN1CCCCC1=O 1587633625 XSJORUDMABRQAI-IBGZPJMESA-N 450.591 2.313 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CC3)n2CCCN2CCC(O)CC2)c1 1587697355 OOJSCVBLPBKREI-UHFFFAOYSA-N 450.587 2.134 30 10 JEEE C#CCN(c1nnc(COCC)n1Cc1ccccc1CN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1588074790 RXDUJZRUPBPNFX-HSZRJFAPSA-N 485.654 2.476 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(O)CCOCC1 1588228759 LOXOCLALOWESCE-HXUWFJFHSA-N 471.602 2.397 30 10 JEEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1CCNc1nccc(C(F)(F)F)n1 1588459008 KIYRGUGIMUTQLO-HOCLYGCPSA-N 453.469 2.383 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](OC)c2ccc(Cl)cc2)CC1 1588923980 SOTGOMUCOSNVFD-PMACEKPBSA-N 484.988 2.236 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2Cc2cccc(CS(C)(=O)=O)c2)CC1 1588946246 ACKBVZNOVRQATK-UHFFFAOYSA-N 471.627 2.035 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cn4ccccc4n3)n2CCOC(C)(C)C)CC1 1588955045 OPOVNFXYYOMNCN-UHFFFAOYSA-N 463.586 2.298 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2cccc(F)c2F)CC1 1594097268 POTBGEABSZKOKD-GOSISDBHSA-N 467.542 2.288 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCN(C(C)=O)C1 1595142988 WGRKUMHFDPLYFO-AEFFLSMTSA-N 480.660 2.401 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(C(=O)NCc2ccc(C)cc2)CC1 1595545220 RVQQZXYBCSCIIZ-JOCHJYFZSA-N 480.613 2.316 30 10 JEEE C=CCOc1ccc(Cn2c(N3CCC(C(N)=O)CC3)nnc2[C@]2(OCC)CCOC2)cc1 1595639853 MNLPTWQGPMPEAS-DEOSSOPVSA-N 455.559 2.245 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@H](c1ccsc1)N(C)C 1611683852 AQSSUTUNPFBPGG-MAUKXSAKSA-N 465.649 2.383 30 10 JEEE COc1cc(OC)c2c(c1Cl)O[C@]1(C(=O)/C(=C\NCCSCCO)C(=O)C[C@@H]1C)C2=O 1615248259 HJSRQBIRCXEAAF-CJUBJIRQSA-N 469.943 2.048 30 10 JEEE CO[C@@]1(C)CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1619021830 CUQFZANMWWNIAA-QFIPXVFZSA-N 473.599 2.152 30 10 JEEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)N2CCC[C@@H](C)C2)CC1=O 1619937314 GKGOQXMWMNFAFL-WOJBJXKFSA-N 465.602 2.232 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)N(CC(=O)OCC)Cc2ccccc2O)ccc1F 1639587738 DFSLHYCSVFTLMM-UHFFFAOYSA-N 450.488 2.201 30 10 JEEE C=CCN(Cc1cccs1)C(=O)[C@@H](C)S(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1 1643961715 IUKSFLOXEACMMS-OAHLLOKOSA-N 456.611 2.375 30 10 JEEE C#CCN(C(=O)Nc1cc(F)c(I)c(F)c1)[C@H]1CCS(=O)(=O)C1 1658896894 NURUNRWWQSARAL-JTQLQIEISA-N 454.236 2.224 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCSC2)c1 1689868540 JNDMDOHJPJHSEX-WMZOPIPTSA-N 490.655 2.088 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@@H]1OCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1689991937 DUNASCMUVKVVOW-CTNGQTDRSA-N 472.611 2.319 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC1(C(N)=O)CCOCC1 1690005752 BIOFAXUSYHRPBA-QGZVFWFLSA-N 451.596 2.486 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CC[C@H](C)C2)n1 1690109113 HGPXXWGWWTVUOF-SLFFLAALSA-N 474.631 2.099 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H](C)SC)CC1 1690124213 HKTNRCRNYABKAR-ZWKOTPCHSA-N 464.636 2.093 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC(=O)N(C)CC)CC1 1690132220 LODKTXCZCYZRBC-UHFFFAOYSA-N 452.603 2.388 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@H](C)N(C)C)CC1 1690137295 SXIJFOQRHIUVLN-ZWKOTPCHSA-N 456.566 2.473 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@H](C)N2CCOCC2)CC1 1690137525 BZENKIOMEDHTRF-PMACEKPBSA-N 498.603 2.244 30 10 JEEE C#CCSCCn1c(Cc2ccccc2C)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1690177151 LFGXIBAJSAARMR-UHFFFAOYSA-N 452.584 2.064 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 1690312699 ASFGOTCYUUCTRX-ATKRNPRHSA-N 474.650 2.192 30 10 JEEE C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 1690350976 DAWVZJTXFYSEDD-UHFFFAOYSA-N 460.941 2.183 30 10 JEEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1690464523 DKVPPBNVWPZQGX-IBGZPJMESA-N 462.620 2.464 30 10 JEEE C=CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1690649807 WHBYYMLGBGSFNO-UHFFFAOYSA-N 463.586 2.439 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@H](C)S[C@@H](C)C1 1690659344 QASBOBQKUCLGLR-GJZGRUSLSA-N 463.007 2.494 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1690667711 FGFGELRSZLBTIO-AEFFLSMTSA-N 455.563 2.382 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC(NC(=O)c2cc(C)oc2C)CC1 1690667965 OACIOWJUDBYLKY-UHFFFAOYSA-N 465.558 2.194 30 10 JEEE C=CCNC(=O)Cn1c(Cn2ccc3ccccc32)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1690674738 CVUSKJQREZJHKR-KRWDZBQOSA-N 489.502 2.088 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)c2cccs2)C1 1690700770 XOGZZWXOGZIIBQ-ROUUACIJSA-N 495.671 2.432 30 10 JEEE CNS(=O)(=O)c1cccc(Cn2c(-c3ccccn3)nnc2N2CCC(CC#N)CC2)c1 1697017557 AKQOHVYTVWUEJC-UHFFFAOYSA-N 451.556 2.427 30 10 JEEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)C(C)(C)C)C[C@@H](C)O1 1697888252 CALBRHNBLWYXPP-APWZRJJASA-N 461.588 2.270 30 10 JEEE C#CCCCn1c(CCc2ccc(OC)cc2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1705537220 XRVFPDPRZZDGJY-OFVILXPXSA-N 478.641 2.474 30 10 JEEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccccc1C)[C@H]1CCS(=O)(=O)C1 1705560395 GQHDCFIPNPPERE-XUZZJYLKSA-N 472.611 2.302 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CCc1cc(C)cc(C)c1)[C@H]1CCS(=O)(=O)C1 1705561506 QRIOYJWCKJJDAI-DHLKQENFSA-N 486.638 2.416 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1C[C@]1(C)COCCO1)[C@@H]1CCS(=O)(=O)C1 1705562561 FPJOMFFJFXOMBU-IIBYNOLFSA-N 482.965 2.170 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](c1cccc(OC)c1)N(C)C 1705572598 HXBUSNQQUSXMNK-NRFANRHFSA-N 457.538 2.310 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(Br)cn2C)n1C[C@H](C)CN1CCOCC1 1705591478 CZFIAZGIBRTQEM-GOSISDBHSA-N 473.419 2.477 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC(=O)NCC(F)F 1705672061 JLQBQYMRKUHVDW-HSZRJFAPSA-N 469.496 2.048 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](CC)NC(=O)OC(C)(C)C)CC1 1705769594 XEWOZMOMRLQJNO-QZTJIDSGSA-N 498.650 2.071 30 10 JEEE C=CCN(c1nnc(CSc2ccccc2OC)n1C[C@@]1(O)CCS(=O)(=O)C1)C1CC1 1705855959 AKOSZCGULGISBN-NRFANRHFSA-N 464.613 2.283 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](OCC=C)C1 1705903119 QOKUEZWRHSDGKE-RBUKOAKNSA-N 474.606 2.476 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1(N2CCOCC2)CC1 1706069699 GJEWAEHVFGIQBA-KRWDZBQOSA-N 471.993 2.322 30 10 JEEE C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](C(N)=O)C1)N(C)C(=O)OC(C)(C)C 1706782784 DSNHKBZSFYPPJC-YJBOKZPZSA-N 453.547 2.384 30 10 JEEE CCN1CCN(CCCn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H](C(=O)OC)C2)CC1 1710298600 GZYIIJXJLNRUSX-JOCHJYFZSA-N 465.602 2.234 30 10 JEEE C#CCCCCn1c(N2CCCN(S(C)(=O)=O)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1722322120 GBGAJCIDTRIRQW-KDURUIRLSA-N 494.662 2.324 30 10 JEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCNC(=O)c1occc1C 1722355583 YUWSSXCNXWWOJS-SFHVURJKSA-N 486.573 2.377 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CCc1ccn(C)n1)[C@H]1CCS(=O)(=O)C1 1722358519 CJBKGPXPMKKMPP-NRFANRHFSA-N 452.584 2.110 30 10 JEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCC(=O)NCc1ccccc1 1722384890 ZENQGRKWVGVHTI-UHFFFAOYSA-N 482.592 2.231 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1722500416 MBOFBVWYJYDLDA-GMAHTHKFSA-N 489.642 2.448 30 10 JEEE C=CCCCCn1c(-c2noc3c2COCC3)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1722601645 ZDFLTGDRPUCJJP-UHFFFAOYSA-N 464.592 2.222 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CCCOCC1 1722693474 PGCJZCILERDWRJ-UHFFFAOYSA-N 450.337 2.245 30 10 JEEE C=CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCn2nc(C)nc2C1 1722735327 PMJTWAMTYUMXHV-UHFFFAOYSA-N 459.601 2.188 30 10 JEEE CC(C)OCCS(=O)(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2CC2)CC1 1723732603 IFQFEKMYWUWZOQ-UHFFFAOYSA-N 458.588 2.104 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@@](C)(O)c1ccco1)[C@H]1CCS(=O)(=O)C1 1740626058 VKMLEYQKMYKDBH-LAUBAEHRSA-N 460.581 2.058 30 10 JEEE C#CCN(CC)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1CC1(O)CCS(=O)(=O)CC1 1740662555 UWCYAWWXDOHTNL-GOSISDBHSA-N 476.599 2.216 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C1CC1)N(C)C 1740686647 VMTBBJIAFHWVOQ-VQTJNVASSA-N 476.622 2.013 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2CC[C@@H](N2CCOCC2)C(F)(F)F)CC1 1740691718 BOLAAFXRHVKURD-OAQYLSRUSA-N 492.546 2.362 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCCN(C)CC(F)(F)F)CC1 1740696620 ZATXCUNWCWZBMQ-HXUWFJFHSA-N 478.519 2.430 30 10 JEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1 1740710551 ZCBLDMPPEZHPFO-UHFFFAOYSA-N 475.018 2.399 30 10 JEEE C#CCSCCn1c(N2CCC(C(N)=O)(c3ccccc3)CC2)nnc1[C@@]1(OCC)CCOC1 1740724320 ZOIPGXWYWJXNKO-RUZDIDTESA-N 483.638 2.320 30 10 JEEE C=C(Br)Cn1c(N2CCNC(=O)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740749748 DMQPVFMBFBETLW-OKILXGFUSA-N 469.384 2.284 30 10 JEEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(c2ncc(F)cn2)CC1 1740782452 DLPFEQIDNWUTQI-GOSISDBHSA-N 488.568 2.418 30 10 JEEE C=CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCc2nn(C)c(=O)cc2C1 1740859004 DTGLTLMMYXGBSO-UHFFFAOYSA-N 497.625 2.208 30 10 JEEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC(c2cccc(OC)c2)CC1 1740963508 MVIDPLCTKGFPQP-UHFFFAOYSA-N 452.559 2.095 30 10 JEEE CC(C)OCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)N2CCOCC2)CC1 1741763956 HZCSATUDIMOYDW-NRFANRHFSA-N 467.618 2.084 30 10 JEEE CC(C)SCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1741766427 FAGWZGRGUKYBRB-SFHVURJKSA-N 465.587 2.490 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1CCN(CCN(C)C)CC1 1741798278 GUTWZJUYIWJYKY-IBGZPJMESA-N 487.674 2.361 30 10 JEEE CNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN([C@@H](C)c2nc(C(C)C)no2)CC1 1748277018 FPBOGANCGBYHCW-KRWDZBQOSA-N 477.573 2.342 30 10 JEEE C#CCN(c1nnc(C(C)C)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1748802673 QWKSWVMMOMLNHD-SJORKVTESA-N 453.609 2.284 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1C[C@H]1CCCOC1)[C@@H]1CCS(=O)(=O)C1 1748804140 DQXVURUMZDHFQR-NVXWUHKLSA-N 496.431 2.099 30 10 JEEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(C)cc1C)[C@H]1CCS(=O)(=O)C1 1748804588 IVOWWWCCPPQPBP-XUZZJYLKSA-N 472.611 2.222 30 10 JEEE C#CCN(c1nnc(-c2ccccc2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1748809933 RBJJZZDZJWWOBB-RZUBCFFCSA-N 485.654 2.460 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCSC1 1748941103 XDZATYNTMCSSAQ-WBVHZDCISA-N 451.593 2.420 30 10 JEEE C#CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(C(=O)NCCOC)CC1 1749029305 QUBBSJQVPUACNK-UHFFFAOYSA-N 471.583 2.019 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC(CNC(C)=O)CC2)nnc1[C@]1(OCC)CCOC1 1749140369 OLDYBWKHJPWBQE-DPLHUUCSSA-N 461.607 2.264 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCN(C(=O)NCC)CC2)cc1 1749683336 PZSGDJOPRGXSMN-UHFFFAOYSA-N 490.568 2.390 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@H](C)c1ccc(F)c(F)c1 1749731811 KXBJUIYMUIKDGN-CXAGYDPISA-N 453.515 2.306 30 10 JEEE C#CCCCCn1c(COc2ccccc2CC)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1760141742 GOACWUIZIRAEPW-UHFFFAOYSA-N 480.613 2.396 30 10 JEEE C#CCN(C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1760176146 ZRUSZXBNUQAKGJ-QZTJIDSGSA-N 451.449 2.123 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CCCSC1)[C@@H]1CCS(=O)(=O)C1 1760181131 QAYDOUYFGDLBSY-KNKQGSTJSA-N 482.672 2.089 30 10 JEEE C#CCN(c1nnc(-c2cc(F)ccc2Br)n1CCOC)[C@H]1CCS(=O)(=O)C1 1760181612 YJQDBXQWYVWDBV-AWEZNQCLSA-N 471.352 2.120 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1CC[S@@](=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1760190660 TYPVHZWOKOLSPH-PSTIOWGYSA-N 492.667 2.051 30 10 JEEE C#CCN(c1nnc(COCC)n1C[C@@H]1CCCN1C1CCCCC1)[C@H]1CCS(=O)(=O)C1 1760191863 AOXGPHZDLHKHTF-SFTDATJTSA-N 463.648 2.238 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](OCC)c2ccccc2)CC1 1760251843 JENFQEUCQOFRKC-OAQYLSRUSA-N 459.554 2.458 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2(O)CCCCC2)CC1 1760267254 XGDHLQMKVPXWIG-UHFFFAOYSA-N 499.637 2.010 30 10 JEEE C=CCCOCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC(=O)N(C)[C@H](C)C1 1760445111 ABNHYSKJYLLXBD-MRXNPFEDSA-N 460.966 2.121 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Br)c2)nnc1N1CC[C@](C)(C(N)=O)C1 1760551116 UMQYLZBOEYWPNR-IBGZPJMESA-N 482.404 2.010 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(C(=O)c2c(F)cccc2F)CC1 1760556282 YPNFPNHQWNAYFG-UHFFFAOYSA-N 479.553 2.387 30 10 JEEE CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1Cc1ccc(OC)c(OC)c1 1766400369 ARPTUQRHSDGZQU-UHFFFAOYSA-N 463.542 2.473 30 10 JEEE CCOc1ccc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2CCCNC=O)cc1OC 1862564682 GAYDZXBTLKIYJL-NRFANRHFSA-N 453.495 2.391 30 10 JEEE Cc1cccc(-n2nnc(C#N)c2NC(=O)CN2C(=O)c3ccc(Br)cc3C2=O)c1 1870155527 RDWLQSXLKRXDPH-UHFFFAOYSA-N 465.267 2.445 30 10 JEEE COC(=O)c1ccc(CSc2nnc(CNC(C)=O)n2/N=C/c2ccc3c(c2)OCCO3)o1 1874433483 NFFNSDSXCCTFGW-AUEPDCJTSA-N 471.495 2.240 30 10 JEEE CCOc1c(Br)cc(/C=N/n2c(CCOC)nnc2SCC(N)=O)cc1OC 1874470416 DFCLATLAFDJJBT-AWQFTUOYSA-N 472.365 2.096 30 10 JEEE CN1CCN(CC#CCOC2CCN(C(=O)Cc3ccccc3OC(F)(F)F)CC2)CC1 1889450075 IYQYGWMLZIZIFJ-UHFFFAOYSA-N 453.505 2.386 30 10 JEEE CCCCCC[C@H](C)C=C(C)C=CC(=O)N[C@@H]1CC2(O[C@@H]1O)[C@@H]1O[C@@H]1C(O)(CC(C)=O)[C@H]1O[C@H]12 2058696858 YFJWRMZGLWVCSQ-RQRYTSMPSA-N 477.598 2.316 30 10 JEEE Cc1cc(C(N)=NO)nc(-n2c(C)nc(I)c2I)c1 2088985237 KVJLVYLPXDWKNM-UHFFFAOYSA-N 483.051 2.188 30 10 JEEE CC(C)(C)OC(=O)NCC1(NS(=O)(=O)N2CC[C@@H](C#N)C2)CCN(Cc2ccccc2)CC1 2130840770 XGPWXDCYOFFDFB-FQEVSTJZSA-N 477.631 2.226 30 10 JEEE CC(C)(C)OC(=O)NCc1ncc(C(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)cn1 2206617001 OREDSEMZXWHPGN-UHFFFAOYSA-N 455.324 2.448 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]1CNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2247881329 WEDASDXXQRCJPT-GXTWGEPZSA-N 458.411 2.239 30 10 JEEE CC1(C)OB(c2ccc(C(=O)N3CCN(C(=O)OCc4ccccc4)CC3)nc2)OC1(C)C 2247928213 YQHQLDPXEPCDMC-UHFFFAOYSA-N 451.332 2.475 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N[C@@H]2CCO[C@H](CNC(=O)OC(C)(C)C)C2)C1 2255188787 BVTJAOIATHTXGH-YOPALGQTSA-N 451.564 2.482 30 10 JEEE CC1(C)OB(c2c[nH]c(C(=O)NC[C@H]3CN(C(=O)OCc4ccccc4)CCO3)c2)OC1(C)C 2255854667 FLIFEWOHXNYZDY-IBGZPJMESA-N 469.347 2.081 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC2(CNC(=O)OC(C)(C)C)COC2)s1 2255857515 IJQBSTHBAPOGPA-UHFFFAOYSA-N 452.382 2.379 30 10 JEEE C[C@H](NC(=O)[C@@H](O)[C@@H](C)NC(=O)OC(C)(C)C)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2256613887 KGBLSWKPAUNXJW-ZENOOKHLSA-N 454.398 2.499 30 10 JEEE C[C@@H](O)CN(CCNC(=O)OC(C)(C)C)C(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2257591069 URKOUKBLECTOQM-CQSZACIVSA-N 454.398 2.395 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N=[S@](C)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 2266492711 PNWLJKOUKNTXQH-QSGVQYOESA-N 484.619 2.385 30 10 JEEE CN(CCCCCNC(=O)OC(C)(C)C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2267128664 SQQUUWLXSUJOSO-UHFFFAOYSA-N 450.389 2.486 30 10 JEEE 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)cs1 2267130757 RRZRVRJLMDAMSO-RKTXRCNFSA-N 464.393 2.458 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)c2occc2B2OC(C)(C)C(C)(C)O2)CCCO1 2267484723 CIYJFJFXJSQZLM-HNNXBMFYSA-N 450.341 2.335 30 10 JEEE CCn1cc(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(C)C)nc1B1OC(C)(C)C(C)(C)O1 2267498443 UOOGILYDRJKITE-OAHLLOKOSA-N 450.389 2.481 30 10 JEEE CC(C)(C)OC(=O)N1CC(CO)(C(=O)Nc2nc(B3OC(C)(C)C(C)(C)O3)ccc2Cl)C1 2268646639 ZWSOGVUJQCIECL-UHFFFAOYSA-N 467.759 2.202 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2CN(C(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)C[C@H]2C1 2281928755 RBGRITBOKMGVIV-ARFHVFGLSA-N 460.384 2.474 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CCOC[C@@H]2NC(=O)OCc2ccccc2)n1 2282005609 QJCOUUGFBITQDI-UXHICEINSA-N 498.389 2.016 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@@]2(NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2282178868 PUCAPCFFFNSIJL-NPMXOYFQSA-N 458.368 2.295 30 10 JEEE CN(Cc1nc(NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)n[nH]1)C(=O)OC(C)(C)C 2282338866 QHNWHWSRDDGFJY-UHFFFAOYSA-N 499.424 2.333 30 10 JEEE CC1(C)OB(c2cc(F)ccc2C(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)OC1(C)C 2282398206 XQMTZGQPOXLOHU-VWLOTQADSA-N 454.351 2.492 30 10 JEEE CN1CCN(Cc2ccccc2)[C@H](CNS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2282419859 SFKMLBYCHGWPPW-HXUWFJFHSA-N 491.488 2.142 30 10 JEEE Cn1ncc(C(=O)NC2CC3(CCN(C(=O)OC(C)(C)C)C3)C2)c1B1OC(C)(C)C(C)(C)O1 2282561461 RSBVMTWXEUYVMO-UHFFFAOYSA-N 460.384 2.239 30 10 JEEE CC1(C)OB(c2ccc(C(=O)N3CCC(CNC(=O)C(F)(F)F)CC3)c(O)c2)OC1(C)C 2282882992 UFGPNPUWILCWJW-UHFFFAOYSA-N 456.270 2.222 30 10 JEEE COC1(C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)CCN(C(=O)OC(C)(C)C)CC1 2283982795 CEMZBVNNMBGWDZ-UHFFFAOYSA-N 481.424 2.475 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CCC(N)=O)C(=O)Nc1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2284052244 DEIATUDTHZZPDW-MRXNPFEDSA-N 465.331 2.222 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H]3C[C@]3(CNC(=O)OC(C)(C)C)C2)n1 2288253090 UASQBMXMACUQDV-WNSKOXEYSA-N 460.384 2.189 30 10 JEEE C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCc1c(F)cccc1B1OC(C)(C)C(C)(C)O1 2289660820 WVLFXUCDBGLPTM-KBXCAEBGSA-N 466.359 2.058 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2OCC[C@@]2(C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)C1 2296393432 VUFMUWNVSIVSEU-NPMXOYFQSA-N 459.352 2.345 30 10 JEEE COc1ccc(C(O)=C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cccnc2)cc1F 2296616269 UNQWXHJYUQAHKQ-NRFANRHFSA-N 455.486 2.373 30 10 JEEE O=C1C(=O)N(CCCN2CCOCC2)[C@@H](c2ccc([N+](=O)[O-])cc2)C1=C(O)c1ccncc1 2296930240 JVMNDSLNAWVRJN-FQEVSTJZSA-N 452.467 2.134 30 10 JEEE COc1cc(OC)c2c(c1Cl)O[C@@]1(C(=O)C(=CNCCNc3ncccn3)C(=O)C[C@H]1C)C2=O 2297628928 UGJVQIMIWDAHEF-SPSFWMDKSA-N 486.912 2.225 30 10 JEEE CCOc1cc(C=Nn2c(COC)nnc2SCCO)ccc1OCC(=O)N(CC)CC 2331612477 BSHFVVQVNYAONR-UHFFFAOYSA-N 465.576 2.037 30 10 JEEE COc1nc(O[C@@]2(CNC(=O)OC(C)(C)C)CCOC2)ccc1B1OC(C)(C)C(C)(C)O1 2339823471 IBLQJRZHFSGEJQ-JOCHJYFZSA-N 450.341 2.452 30 10 JEEE CC(C)(C)OC(=O)NC1(C(=O)N2C[C@H](C#N)N3CC[C@H]2C3)CCN(Cc2ccccc2)CC1 2342884951 WETVUMLJAWNJFB-SFTDATJTSA-N 453.587 2.355 30 10 JEEE COc1nc(N2CCC(CO)(NC(=O)OC(C)(C)C)CC2)ccc1B1OC(C)(C)C(C)(C)O1 2365343922 HDWPEBRNWWJQNK-UHFFFAOYSA-N 463.384 2.245 30 10 JEEE Cn1cc(C(=O)N2CCC3CC2(CNC(=O)OC(C)(C)C)C3)nc1B1OC(C)(C)C(C)(C)O1 2366055607 BIUKZRDOAAWWFL-UHFFFAOYSA-N 460.384 2.239 30 10 JEEE COc1cc(/C=N/Nc2nnc(SCC(=O)Nc3cccc(Cl)c3)n2N)cc([N+](=O)[O-])c1O 21326738 YUYUDBOEMPXVDQ-ODCIPOBUSA-N 492.905 2.445 30 10 JEEE C=CCn1c(Sc2nc3c(c(=O)n(C)c(=O)n3C)n2C)nnc1C12CC3CC(CC(C3)C1)C2 253568450 LFZJTNWJRZLXOP-UHFFFAOYSA-N 467.599 2.367 30 10 JEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1-c1ccc2c(c1)OC(F)(F)O2 517983845 BIFWJMGORORROC-UHFFFAOYSA-N 467.453 2.026 30 10 JEEE C=CCN(C(=O)NC1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1)[C@@H](C)COC 1222102001 MEATZPNTVZKXBO-INIZCTEOSA-N 455.577 2.089 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCC[C@@H](O)C1)[C@H]1CCS(=O)(=O)C1 1286387555 GKJFVHRSUWOQBA-BPQIPLTHSA-N 463.991 2.171 30 10 JEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1Cc1cc(C)no1)[C@@H]1CCS(=O)(=O)C1 1286394640 WFYGNNASDAELMM-LJQANCHMSA-N 469.567 2.043 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](c1ccc(C)cc1)N1CCCC1 1286419939 IGCHXFHXVDQHHF-JTHBVZDNSA-N 482.654 2.497 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1Cc1ccc(C)n(C)c1=O 1286460267 CPLXMGHDAQZNLY-UHFFFAOYSA-N 462.554 2.289 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC2CCN(CCC(C)C)CC2)CC1 1286471811 AELUKDZGPKSKID-SANMLTNESA-N 472.678 2.444 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCc2ccccc2OC)CC1 1286473424 SEYSBJIZJUQGGB-RUZDIDTESA-N 453.587 2.325 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2CCN2CCOCC2(C)C)CC1 1286492416 KREZVYZVDCJVEN-UHFFFAOYSA-N 498.603 2.073 30 10 JEEE C=CCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1286708808 ZKUIOFVZFSHRCL-UHFFFAOYSA-N 463.586 2.154 30 10 JEEE C=CCN(C)c1nnc(CNC(=O)c2cccs2)n1Cc1cccc(N2CCOCC2)n1 1286728844 HUPUSFXSCKYIAW-UHFFFAOYSA-N 453.572 2.172 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1286793898 PJKSVVHUTNXIOK-NFBKMPQASA-N 498.676 2.171 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1286817165 QNWKFDYUEBGDJE-CTNGQTDRSA-N 489.642 2.102 30 10 JEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1286832612 LYDKZOCATASLKZ-LJQANCHMSA-N 481.688 2.328 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CCN1CCCC(C)(C)C1 1288816046 BXJMZTANHFCQPI-KRWDZBQOSA-N 451.641 2.140 30 10 JEEE CC[C@H]1CCCCN1CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C(N)=O)C1 1293377169 FVDGQKMKJPTJAL-UXHICEINSA-N 451.575 2.305 30 10 JEEE C=C(Cl)CSc1nc(C)c(CC(=O)N(CCN(C)C)[C@@H]2CCS(=O)(=O)C2)s1 1294386577 DTUFYHSSUYDVFD-CQSZACIVSA-N 452.067 2.416 30 10 JEEE C=CC1(CC(=O)N(CCNC(C)=O)[C@@H](C)C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)C1 1296247183 UPOSBMFPVVYVJP-INIZCTEOSA-N 453.580 2.495 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCN(CC)S(C)(=O)=O 1300330657 ZZQOJZDSMHKPBS-OKZBNKHCSA-N 482.651 2.178 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2C[C@@]2(N(C)C)CCSC2)c1 1300334596 RESFFGCPQQXOCD-DVECYGJZSA-N 468.627 2.276 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1Cc1oc(CC)nc1C)[C@@H]1CCS(=O)(=O)C1 1300483830 OCDJBFLUJRFRQV-LJQANCHMSA-N 464.551 2.351 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1CCCN1C[C@H](C)C[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1300487175 HHVOYSAUVJGQDT-KCZVDYSFSA-N 470.643 2.335 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(CN(CC)CC)c1 1300538534 RLULIZIIWGZGPN-JOCHJYFZSA-N 453.612 2.143 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CCCN(C)C(=O)OC(C)(C)C)CC1 1300703425 JUXWXOZODQTNRT-UHFFFAOYSA-N 453.591 2.276 30 10 JEEE C=C(Cn1c(-c2cnccn2)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1)c1ccccc1 1301007054 AXYKLCVRDBLSRA-FQEVSTJZSA-N 468.583 2.479 30 10 JEEE C=C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCC(=O)NCCC)CC1 1301072487 JDTKKBRQUXJPLM-UHFFFAOYSA-N 460.604 2.268 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCC(=O)Nc2ccccc2)CC1 1301124709 KKAMFIAKJDNGEK-FQEVSTJZSA-N 488.614 2.042 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1C[C@H](C(=O)NCCCC)CC[C@@H]1C 1301492306 DJCVZSCROIYZSI-PKOBYXMFSA-N 482.585 2.497 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](CN2CCCC[C@@H]2C)C1 1301579804 YDMOJWFWSDMGFV-PMACEKPBSA-N 475.663 2.370 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCc2ccc(OC)cc2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1301587801 YBJYTTDHQREXLX-NTKDMRAZSA-N 490.626 2.057 30 10 JEEE C=CCSCCn1c([C@@H](C)CC)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1301595298 RXAYEDSZIYCKPJ-ZWKOTPCHSA-N 457.666 2.342 30 10 JEEE C=CCSCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCO[C@H](C(=O)NC)C1 1301612631 NRTSWENNXNPSRB-SFHVURJKSA-N 494.662 2.263 30 10 JEEE CC(=O)N1CCCN([C@@H]2CN(c3nnc(CC(C)C)n3Cc3ccc(C#N)o3)C[C@@H]2C)CC1 1301709388 USHNWFQVOMRWHB-PGRDOPGGSA-N 453.591 2.368 30 10 JEEE CC(C)Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1Cc1ccc(N(C)C)nc1 1302953650 AHZPQUYWCIQFCH-GOSISDBHSA-N 460.590 2.363 30 10 JEEE CCN(CC)C(=O)CN1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2([S@](C)=O)CC2)CC1 1313643333 FVPZIRCSDRYTQF-DHUJRADRSA-N 497.669 2.108 30 10 JEEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)CCOC1 1314138282 DDWKIJKBWRTDBY-KHCICDEESA-N 490.605 2.306 30 10 JEEE CN(CC(C)(C)CN1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1CCCc1cnn(C)n1 1314713062 CGOVNSYCNLYZQO-UHFFFAOYSA-N 477.617 2.373 30 10 JEEE COCCN(CCC#N)c1nnc(-c2ccc3ccccc3n2)n1C[C@@H]1CCS(=O)(=O)C1 1316098630 FNMLPHDHWDGFSY-KRWDZBQOSA-N 454.556 2.294 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@H](N1CCOCC1)C(F)(F)F 1358894848 YIHCCMXXEFNSHR-AEFFLSMTSA-N 461.492 2.238 30 10 JEEE C#CCCCn1c(COc2cc(C)ccc2C)nnc1N1CCN(CC(=O)NC2CC2)CC1 1358934278 VSDCAQBXMQGBSB-UHFFFAOYSA-N 450.587 2.288 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CC1(OC)CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1358967166 FLJKFPUOXXVVLA-QGRLXFMZSA-N 494.658 2.224 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCN1CCN(C(C)=O)CC1 1358972626 LRMCMCJIGFYSTK-LJQANCHMSA-N 464.639 2.368 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccco1 1359016821 MUVZHGFJFMUGJU-FQEVSTJZSA-N 473.530 2.031 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(F)ccc2Br)n1Cc1nnnn1CC1CC1 1359020182 UNLVTWBCUZJGNY-UHFFFAOYSA-N 489.353 2.378 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@H]2CCCCS2(=O)=O)CC1 1359030892 JPAOFJPVQBGNRF-LJQANCHMSA-N 492.443 2.430 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2(C)CCOCC2)CC1 1359041642 DHDQOSGZWZEXDB-UHFFFAOYSA-N 499.637 2.131 30 10 JEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)c2ccccc2F)CC1 1359056105 XZCKPWYSKLYHAP-LJQANCHMSA-N 470.574 2.087 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)CCS(C)(=O)=O 1359094747 FILYOBSPKSLZPO-XLIONFOSSA-N 462.572 2.178 30 10 JEEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(c2cc(OC)cc(OC)c2)CC1 1359121775 IAZXGDCYGRRQLW-GOSISDBHSA-N 475.615 2.490 30 10 JEEE C=C(C)Cn1c(CCOc2ccccc2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1359123394 GNDZRCNGCYDWMN-NRFANRHFSA-N 475.615 2.107 30 10 JEEE C=C(C)COCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1359129852 PGVVEDGROJYOEG-RUZDIDTESA-N 498.584 2.370 30 10 JEEE C=CCn1c(N2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1359290845 RZHLJHGYVSHZQS-SIKLNZKXSA-N 467.636 2.336 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1359296694 QUKWAFULRCGSFH-UHFFFAOYSA-N 456.547 2.313 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2CC2(C(N)=O)CCOCC2)C1 1359312906 CKOSXBIQBWFFOW-INIZCTEOSA-N 493.406 2.110 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cc(COC(C)(C)C)on2)C1 1359321166 BKBIDNUFGARLFJ-AEFFLSMTSA-N 479.603 2.313 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@H](C)C1 1359330924 HECXBAYXMNZXEU-INIZCTEOSA-N 456.572 2.122 30 10 JEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc(O)c2)CC1 1359343097 LTRUBPJPSWVWRV-QGZVFWFLSA-N 463.629 2.132 30 10 JEEE C=CC[C@H](Cc1ccccc1)NC(=O)c1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1 1436687416 NVAAVCGDHJKDBG-JOCHJYFZSA-N 455.580 2.457 30 10 JEEE COCCN(CCC#N)S(=O)(=O)N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](c2ccccc2F)C1 1475386552 AIUAMGZQIQFVJN-PKOBYXMFSA-N 470.567 2.225 30 10 JEEE C=CCOc1ccccc1CNC(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1 1477339407 BJYOSVLRDHPWTH-UHFFFAOYSA-N 459.568 2.413 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H](C)CN2CCCC2)CC1 1507722677 DZWMYDLVEIUGQM-FQEVSTJZSA-N 452.603 2.449 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCCc2c[nH]nc2C)CC1 1507729968 MQTBQFVAAFOBPN-NRFANRHFSA-N 498.632 2.006 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@@H](C)c2ncc(C)s2)CC1 1507738336 NOGCDTCYFYMVJF-OAHLLOKOSA-N 450.572 2.270 30 10 JEEE C#CCSCCn1c(N2CCC[C@H](CN3CCOCC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1507758578 PQZHILICMIEHJM-ZJSXRUAMSA-N 477.675 2.234 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1507792906 BNEYJEWUBIAJSC-HJNYFJLDSA-N 455.559 2.276 30 10 JEEE C=CCCOCCn1c(-c2cccc3cccnc23)nnc1N1CCN(S(C)(=O)=O)CC1 1507958953 DYCACFYZDYEJRS-UHFFFAOYSA-N 456.572 2.168 30 10 JEEE C=CCCOCCn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1507963015 ZPZVLMQJFBUDMB-IBGZPJMESA-N 460.604 2.246 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C(C)(C)C)CC1 1508137131 YAGKTOBQWAOSSB-UHFFFAOYSA-N 477.631 2.484 30 10 JEEE CS(=O)(=O)CCCn1c(-c2ccccn2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1519521080 DFLDHQCCMDOWIT-FQEVSTJZSA-N 452.540 2.224 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCN1c1cnn(C)c1 1539015091 NYGRXLOXSVBUMU-ZVDOUQERSA-N 498.632 2.447 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@](C)(O)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 1539230228 DWIAFYUNRDLCMU-NNMXDRDESA-N 450.605 2.088 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2CCCc2nnc(C)s2)CC1 1539462555 WZRWQIRWIZXXCC-UHFFFAOYSA-N 467.599 2.414 30 10 JEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](COc2ccccc2)C1 1539488565 BBLAVUFUZPMTAY-FQEVSTJZSA-N 455.584 2.165 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(C)n(C)c1=O 1539566377 JCBMANBFEPKNDG-HSZRJFAPSA-N 450.568 2.317 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccc2OC)nnc1N1CCN(CCOC)C(=O)C1 1539626969 HPGVWIKBTJWMGQ-XMSQKQJNSA-N 455.559 2.230 30 10 JEEE C=CC1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@]2(OC)CCOC2)CC1 1539877971 MTGFNYYXUZAHKY-HSZRJFAPSA-N 475.615 2.403 30 10 JEEE C=CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2CCOC[C@H]2C1 1539966409 JDVDNXBHXVDGAL-UXHICEINSA-N 476.622 2.464 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCOC2)n1CCN1CCCS1(=O)=O 1540127540 GLHARFUXXVXSRI-NRFANRHFSA-N 470.599 2.272 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)OCCCO2 1540201675 YEHCGBBRUDHHPT-SFHVURJKSA-N 462.572 2.029 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCOC(C)(C)[C@@H]1C 1540901996 XFTKJYZHABWPTI-HNNXBMFYSA-N 472.571 2.198 30 10 JEEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(N2CCCNC2=O)CC1 1540920039 MBDGHLDTHWFQHG-UHFFFAOYSA-N 458.636 2.443 30 10 JEEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(Cc2ccc(F)cc2)n1CC(C)(C)O 1544582058 FIWLAXZEOHRARU-INIZCTEOSA-N 450.522 2.156 30 10 JEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(S(C)(=O)=O)ccc1NCCOC 1566407153 BPHDLPHZQWTNKC-QGZVFWFLSA-N 453.561 2.394 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1ccc(NC(C)=O)nc1 1587568688 RQKYISYAEINKCI-HNNXBMFYSA-N 480.598 2.406 30 10 JEEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1587831950 XCERRYPTPJHHHX-UHFFFAOYSA-N 461.574 2.417 30 10 JEEE C#CCN(c1nnc(-c2cccc3cccnc23)n1C[C@@H](C)COC)[C@H]1CCS(=O)(=O)C1 1588046058 WEAWQIPLIXQWOW-MJGOQNOKSA-N 453.568 2.403 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC(C)(C)CN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1588055531 XGSROAXLXVUXIF-UXHICEINSA-N 463.648 2.268 30 10 JEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C3(c4cccc(Cl)c4)CC(=O)C3)CC2)cc1 1588157508 BQRPYPFWJAUMJD-UHFFFAOYSA-N 457.939 2.345 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCC(=O)N(C)C 1588696443 LRENQKINJLRWOH-SFHVURJKSA-N 462.595 2.305 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(OCC=C)cc2)CC1 1588884666 JEVMPOXYARIDIP-UHFFFAOYSA-N 476.581 2.093 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H]2N(C)CCCC2(C)C)CC1 1588890967 JTFCNNONHDMOHE-RLWLMLJZSA-N 486.661 2.016 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](c2ccccc2)N(CC)CC)CC1 1588923792 MBROOJMTJRSMTE-GOTSBHOMSA-N 491.640 2.278 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCCOC)CC1 1588929988 KQBRHENQGPCFQG-UHFFFAOYSA-N 488.633 2.395 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(OCC(F)(F)F)nc2)CC1 1588930567 ZFPUANMSEWKWHD-GOSISDBHSA-N 492.502 2.132 30 10 JEEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1589110314 SGYMIGJHUMBHLV-QFIPXVFZSA-N 471.608 2.110 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1Cc1ccccc1CN1CCC[C@@H]1CO 1589134759 OKMXQXYFGGBTTP-ATIYNZHBSA-N 464.614 2.413 30 10 JEEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCN(c2nccc(OC)n2)CC1 1589304328 FFMZIIUXSNVJPR-HNNXBMFYSA-N 482.383 2.036 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(N(CC)CC)CC1 1589493116 FZCQJPAGIBUNRY-NSHGMRRFSA-N 468.668 2.180 30 10 JEEE C=C1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@H]2CC[C@H](CO)O2)CC1 1594097560 UXMQYAHEWGBPPZ-OTWHNJEPSA-N 463.579 2.283 30 10 JEEE C=CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@@H](C)C(=O)NC 1594732425 CLRMRRKUVFIPIO-SJORKVTESA-N 450.584 2.371 30 10 JEEE C=CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](N1CCOCC1)C(F)(F)F)C1CC1 1595020597 KRCIKXHUMLZTKB-MRXNPFEDSA-N 465.480 2.343 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@]2(OCC)CCOC2)n1C[C@]1(O)CCOC1 1595083744 FQJIDXZJDMXSIG-RPWUZVMVSA-N 453.543 2.146 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H](C(=O)NCCCC)C1 1595489079 CMGCIGFOGAFTQU-HNNXBMFYSA-N 492.422 2.471 30 10 JEEE CN(CCc1cnccn1)c1nnc(COc2ccc(C#N)cc2)n1CCN1CCOCC1(C)C 1618187373 AXGWGVCBOVOLOI-UHFFFAOYSA-N 476.585 2.308 30 10 JEEE 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)c1ccc(F)cc1 1641283415 RPPYLXHNZPYRAD-XGXHKWSGSA-N 450.532 2.286 30 10 JEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H](CO)c2nc(-c3ccccc3)no2)cc1 1667956936 UMHMTMWERZRKRP-SFHVURJKSA-N 457.512 2.398 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(S(C)(=O)=O)CC1 1689849221 IQWXOWLGLVAJOA-DLBZAZTESA-N 465.620 2.428 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2CC(C)(C)C(=O)NC)c1 1689868545 JSHAVFGZBZHOOD-AREMUKBSSA-N 496.612 2.147 30 10 JEEE C#CCCCn1c(COc2ccc(Br)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1689938171 CIWIODFKWRPBNP-INIZCTEOSA-N 459.348 2.247 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccc2[nH]c(C)c(C)c2c1)[C@@H]1CCS(=O)(=O)C1 1689977873 FXBKOZSORYGFTK-LJQANCHMSA-N 482.610 2.189 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCN1CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1689982494 OQPRZIZWFLBCQB-UGKGYDQZSA-N 466.611 2.175 30 10 JEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1CCn1cc(C)cn1)[C@@H]1CCS(=O)(=O)C1 1689991969 FEIWRHZYDBBZFT-HXUWFJFHSA-N 473.002 2.354 30 10 JEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(OC)c(OC)c1 1690101107 OLDQRAGULYEYND-UHFFFAOYSA-N 453.499 2.157 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CC(C)(C)CN(C)C)CC1 1690146765 VVODDATWZWTFQA-QFIPXVFZSA-N 480.613 2.344 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2CC2([S@@](C)=O)CCC2)CC1 1690152835 ZWSKOLCCZWGVTM-UUWRZZSWSA-N 483.638 2.433 30 10 JEEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1690159833 NXBZHTDMQUPPJL-LBPRGKRZSA-N 460.423 2.271 30 10 JEEE C#CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)CCc1cnccn1 1690172851 PNZQRZPOMKGFOO-UHFFFAOYSA-N 463.615 2.287 30 10 JEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)c2cccc(Cl)c2)CC1 1690181239 QYOBNCZZAHNWDE-UHFFFAOYSA-N 487.029 2.383 30 10 JEEE C=C(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1690284570 INHOGMBCFYJLCR-UHFFFAOYSA-N 495.675 2.113 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)NC(=O)OC(C)(C)C)CC1 1690375174 CFTJZXDZMLRLFL-KRWDZBQOSA-N 498.650 2.071 30 10 JEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC2CCCCC2)CC1 1690484625 AJDIGPYHMVHLHS-NRFANRHFSA-N 480.679 2.280 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1CCCS(C)(=O)=O 1690558056 CQMQGQAEECHMBR-UHFFFAOYSA-N 456.572 2.013 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 1690659167 LYISWDGTDYEKMS-GOSISDBHSA-N 491.527 2.466 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1690662914 FZUJAROXRQOWEN-CQSZACIVSA-N 492.403 2.383 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCO[C@@H](C(C)C)C1 1690669117 UYQQOABOBODABB-HXUWFJFHSA-N 479.585 2.399 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCN(C)C(=O)[C@@H]1C 1690675655 ATIZGCBRERLTQE-KRWDZBQOSA-N 454.575 2.124 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCCN(c3ncccc3F)CC2)nnc1C(C)(C)C 1690731797 QJFIPGRVUXTMBH-UHFFFAOYSA-N 450.584 2.427 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCS(C)(=O)=O 1691009898 AFIQOVGTFZSBBI-HOTGVXAUSA-N 454.597 2.381 30 10 JEEE CCC(CC)(Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1)OC 1694262950 IDHABCYZGCBOEQ-KRWDZBQOSA-N 460.604 2.492 30 10 JEEE CO[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1)C(C)C 1697152589 GGDLYDVQSFGGSS-PGRDOPGGSA-N 465.602 2.277 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1705485434 JGVOIOZAMNBTIG-IRXDYDNUSA-N 461.588 2.092 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C#N)o2)c1 1705503754 DBTPWSPYOPPPHF-UHFFFAOYSA-N 457.494 2.083 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCCCN2CC)c1 1705503777 DRGGQCAAZCCMSW-NRFANRHFSA-N 465.602 2.347 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1CC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1705569104 ZKKUUKFKJBARIH-HXUWFJFHSA-N 458.584 2.219 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC(C)(C)N2CCC[C@@H](C)C2)CC1 1705635358 WUGXLSYBZDYESG-BWKNWUBXSA-N 458.651 2.196 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc([C@@H](C)O)cc2)CC1 1705652743 LTWCICFWBWXCCB-LEOXJPRUSA-N 481.597 2.070 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@H](C)OC)CC1 1705653028 WTNRMUPXURPYOX-MJGOQNOKSA-N 474.606 2.351 30 10 JEEE C=C(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1705724318 FNBPAUMMTMXRJL-LJQANCHMSA-N 492.628 2.288 30 10 JEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 1705830445 PSGZCZNQPAXQLE-ROUUACIJSA-N 483.635 2.266 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1705935141 IJAPKMKDQDBYAG-UHFFFAOYSA-N 451.637 2.306 30 10 JEEE CC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](C(=O)NC)C1)NC(=O)OC(C)(C)C 1708780356 DBAOQXQNGHPCJV-RTBURBONSA-N 483.573 2.071 30 10 JEEE CSC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1712715995 AQJUIBNOBGQOPN-UHFFFAOYSA-N 454.604 2.249 30 10 JEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1722339175 XKXIZDSXYSYLGW-GOSISDBHSA-N 454.600 2.426 30 10 JEEE C#CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCN(CC)S(C)(=O)=O 1722357698 NHVMGZHUWCBUPL-KRWDZBQOSA-N 468.624 2.091 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H](c1ccccc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1722360203 FASANEVAQVUPSF-FGZHOGPDSA-N 464.595 2.270 30 10 JEEE C#CCN(c1nnc(C2CCCC2)n1CCNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1722365776 FHWIFJVMLCUBEB-QGZVFWFLSA-N 451.593 2.087 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2ccncc2)n1Cc1ccc(CN2CCC(O)CC2)cc1 1722381700 GJHNNFILJPACBU-UHFFFAOYSA-N 454.578 2.342 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1722419068 MNQSOMCMSIKSBT-SFHVURJKSA-N 462.595 2.149 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(OC)cc(OC)c2)n1CC1CCN(C(C)=O)CC1 1722422590 YULLVCLMSYEQJY-UHFFFAOYSA-N 455.559 2.307 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Br)s3)n2CCOCCOC)CC1 1722443438 IVWKXSVCWSCFCV-UHFFFAOYSA-N 496.431 2.398 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC(C)(C)O)CC1 1722447928 PUIXBMJHMNBTST-IBGZPJMESA-N 488.633 2.129 30 10 JEEE C#CCSCCn1c(-c2cc(Br)cn2C)nnc1N(CC)CCS(C)(=O)=O 1722452208 MXCRWSMJJMNZNI-UHFFFAOYSA-N 474.450 2.283 30 10 JEEE C#CCSCCn1c(-c2ccc(C)o2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1722455216 JEVLWQZLWILKKJ-UHFFFAOYSA-N 451.556 2.033 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)CCNS(C)(=O)=O 1722506373 MICWYZHYZFVAHI-GHTZIAJQSA-N 485.614 2.097 30 10 JEEE C=C(C)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1722522971 PPFKOFUNFKYSHI-KRWDZBQOSA-N 485.614 2.159 30 10 JEEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCCN(C(C)=O)C1 1722632066 GMJDOKWJQNYDKE-GOSISDBHSA-N 460.604 2.076 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CC[C@@H](OCCOC)C1 1722694240 PBMITPKEEFEFLY-QGZVFWFLSA-N 464.364 2.252 30 10 JEEE Cc1nc(C)c(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CCS(C)(=O)=O)s1 1725197684 HTUCUIGTHHNTFA-UHFFFAOYSA-N 460.585 2.331 30 10 JEEE CCCNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1728185339 AOOCKIXYESLZNR-UHFFFAOYSA-N 466.590 2.317 30 10 JEEE C#CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1740576424 XAWMJKSLXNJHTM-CTNGQTDRSA-N 453.591 2.496 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@@H]1CSCCS1)[C@H]1CCS(=O)(=O)C1 1740619141 MMQQUHRBZZFBLI-PKOBYXMFSA-N 478.665 2.429 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1CCN(C)Cc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1740621516 MPLYAEHLZBPQLJ-OAQYLSRUSA-N 484.601 2.181 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@H](CC)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1740628979 XWXKYPKWAVHIOH-PMACEKPBSA-N 489.617 2.497 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CC[C@]2(CCOC2)O1 1740680966 UMVMCIQSUVXQED-OXQOHEQNSA-N 464.364 2.460 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCC=CO1 1740685934 NJSPAAXLPHSQBU-RBUKOAKNSA-N 461.563 2.365 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2CCCOC2CCOCC2)CC1 1740700164 IONRYVYCBKKXIQ-UHFFFAOYSA-N 457.550 2.337 30 10 JEEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1740721609 OAYYVCQLYDLNKN-IBGZPJMESA-N 459.597 2.109 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 1740750373 PLMMRCDQZWUNQR-FPOVZHCZSA-N 480.613 2.421 30 10 JEEE C=C(C)COCCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(CC(C)C)C(=O)C1 1740792829 ANNXKQHGQWRSDA-UHFFFAOYSA-N 451.575 2.414 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCOc2cc(C)cc(C)c2)CC1 1740825007 HLCOBFCXNQGEAW-OAQYLSRUSA-N 475.615 2.463 30 10 JEEE C=CC1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2cccc(S(=O)(=O)NC)c2)CC1 1740836625 QUERGZPDFRBDIX-HSZRJFAPSA-N 475.615 2.289 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(OC)C1 1740850231 DJWMPPBEKYZWAC-DYESRHJHSA-N 455.625 2.219 30 10 JEEE C=CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1)C1CC1 1740908140 MGLXFXQXWRRPSD-INIZCTEOSA-N 461.588 2.399 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc(CNC(=O)c2cccs2)n1CC(=O)N1CCOCC1 1740920842 WXZNJGFAAZZINE-UHFFFAOYSA-N 498.584 2.460 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(CC(N)=O)CC1 1740953193 YDCXSXZRQRFGDI-HNNXBMFYSA-N 460.966 2.466 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCN(C(=O)c2ccsc2)CC1 1740956344 PGKONWFMQLYVHG-UHFFFAOYSA-N 454.531 2.410 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CC(=O)N(C)C[C@@H]1C 1740988148 VBPNOIWLHGRSMS-HOTGVXAUSA-N 477.656 2.399 30 10 JEEE C#CCN(c1nnc(CC)n1CC(C)(C)N1CCc2ccccc2C1)[C@@H]1CCS(=O)(=O)C1 1748817249 HMKNLLDYLKUSME-OAQYLSRUSA-N 455.628 2.304 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCc1cnn(C)n1 1748846563 IXVUOVCEIOYQFN-IBGZPJMESA-N 466.590 2.227 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@]2(O)CCC[C@H]2C)CC1 1749003760 UZTXJDGONVTQKJ-DWXRJYCRSA-N 481.597 2.479 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccccc2F)nnc1N1CCN(CCOC)C(=O)C1 1749134085 UJYZYWPUNROKID-WMZHIEFXSA-N 457.550 2.284 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCC(CCC(N)=O)CC2)nnc1[C@@]1(OCC)CCOC1 1749139175 BWONEZMQTACNIQ-ZCVJKFOLSA-N 461.607 2.393 30 10 JEEE C=C(C)COCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@@H](NC(C)=O)C1 1749227038 YNIXPDIUMOXEIZ-QGZVFWFLSA-N 451.531 2.292 30 10 JEEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1749653114 WGEKGMLJHIZHEY-RBBKRZOGSA-N 452.603 2.281 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N(C)Cc1ccc([S@](C)=O)cc1 1749741307 XECWJBKHNVGALK-LBEKAKSKSA-N 452.602 2.104 30 10 JEEE CC(C)C[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2C#N)CC1)N(C)C 1750696661 DYJZNXOSTSYHKI-VXKWHMMOSA-N 499.685 2.355 30 10 JEEE C#CCCCCn1c(-c2ccc[nH]2)nnc1N1C[C@@H]2[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1760135768 IGQSWACQYCDXMC-NZSAHSFTSA-N 488.614 2.203 30 10 JEEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1760144281 KHANKFGSOKFLTI-UHFFFAOYSA-N 493.033 2.135 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CCN1CCN(C)C(C)(C)C1)[C@H]1CCS(=O)(=O)C1 1760184112 UUNUBDSWUXMTFI-QHCPKHFHSA-N 498.697 2.160 30 10 JEEE C#CCN(c1nnc([C@H]2COc3ccccc3O2)n1C[C@@H](C)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1760186023 IXUJVKGUVVALOT-XQBPLPMBSA-N 487.626 2.148 30 10 JEEE C#CCN(c1nnc(CCCc2ccccc2)n1C[C@H]1CCCN(C(C)=O)C1)[C@@H]1CCS(=O)(=O)C1 1760192709 XBNNGWICGNEVLD-BJKOFHAPSA-N 497.665 2.339 30 10 JEEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1760196087 KMFCVKOQRZPXHE-SHQCIBLASA-N 477.609 2.006 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1760315116 ALWVTADAUUOBAB-BPUTZDHNSA-N 493.552 2.217 30 10 JEEE C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1760342796 VPBFPZFJFXTZCP-UHFFFAOYSA-N 471.363 2.432 30 10 JEEE C=C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCCS(C)(=O)=O)CC1 1760381171 BEOLZMQWYHWORG-UHFFFAOYSA-N 451.980 2.453 30 10 JEEE C=CCCCn1c(N2CCN(CC(=O)NC3CC3)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1760444305 DAPITMIDKLLZCD-PUZFROQSSA-N 487.649 2.416 30 10 JEEE C=CCCOCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1760445399 INCMWHNEMMBMMH-FQEVSTJZSA-N 467.574 2.296 30 10 JEEE C=CCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1760508760 JUAJHGRFZZLQCR-HSZRJFAPSA-N 454.531 2.353 30 10 JEEE C=CCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCN(C(=O)C(C)C)CC1 1760512187 LYIIMJCWJDJEMU-UHFFFAOYSA-N 451.619 2.133 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CC[C@@H](C(=O)OC)C1 1760518790 GWJAPQOJJKRPTE-QGZVFWFLSA-N 465.510 2.419 30 10 JEEE C=CCNC(=O)Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CC(=O)N(C)[C@@H](C)C1 1760526534 BJAGKJFSMKDOKA-KRWDZBQOSA-N 474.993 2.221 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2C[C@H](O)CC3(CCCC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1760558298 LQTPHXPEVRRORC-AUSIDOKSSA-N 482.647 2.051 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1(C(N)=O)CCOCC1 1760698148 CSVRPOOOCOPBCJ-SJORKVTESA-N 475.594 2.228 30 10 JEEE CC(C)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCN(C)C(C)(C)C2)CC1=O 1761120606 CWXQKZBWVZZBRW-UHFFFAOYSA-N 478.645 2.147 30 10 JEEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCS2)C1 1767264354 HGHYGHMDBXETAJ-MOPGFXCFSA-N 476.628 2.142 30 10 JEEE Cn1c([C@@H](C#N)C(=O)CN2CCN(c3nc(O)cc(C(F)(F)F)n3)CC2)nc2ccccc21 1859427979 DEUJMXVSKAGDOU-ZDUSSCGKSA-N 459.432 2.086 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@@H]2c2ccc(C(=O)O)cc2)cc1OC 1862572999 RGENXIZOPKKBOZ-HXUWFJFHSA-N 468.462 2.116 30 10 JEEE COc1cc(C(=O)Nc2c(C#N)nnn2-c2ccc(N3CCN(C)CC3)cc2)c([N+](=O)[O-])cc1OC 1870157513 WJEUZTBMNZDIHT-UHFFFAOYSA-N 492.496 2.068 30 10 JEEE C#CCOc1cn(CCc2ccc(S(N)(=O)=O)cc2)c(CN2C[C@@H](C)C[C@H](C)C2)cc1=O 1870561277 GIRIIBNZTPPOBF-OALUTQOASA-N 457.596 2.228 30 10 JEEE CC(=O)Nc1ccc(S(=O)(=O)N2CCC(OCC#CCN3CCN(C(C)C)CC3)CC2)c(C)c1 1889867046 IBCDGKYUGNDAFI-UHFFFAOYSA-N 490.670 2.153 30 10 JEEE O=C(NCC#CCN1CCCCC1)[C@@H]1CCCN1S(=O)(=O)c1cccc(C(F)(F)F)c1 1890691468 CSNXFUWCDPPWSZ-IBGZPJMESA-N 457.518 2.464 30 10 JEEE COc1cccc2c1SC[C@@H](C(=O)N1CCC(OCC#CCN3CCN(C)CC3)CC1)C2 1890710243 HDADTMIXRGTIAH-NRFANRHFSA-N 457.640 2.218 30 10 JEEE CN(c1cc(C#N)ccn1)C1CCN(C(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 1891272772 REEJUZBLFXKWFT-UHFFFAOYSA-N 467.595 2.481 30 10 JEEE Cc1nc(I)c(I)n1C[C@@](N)(C#N)C1(C)CC1 2018296606 HTUVNLJQWWHZNU-NSHDSACASA-N 456.069 2.422 30 10 JEEE Cc1ccc(S(=O)(=O)NCCONC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2255747945 UNVQFOQALIDJHR-UHFFFAOYSA-N 456.370 2.029 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1S(=O)(=O)NOCCNC(=O)OC(C)(C)C 2255931815 QZSPZCNOPJZTKR-UHFFFAOYSA-N 456.370 2.029 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)[C@@](C)(CO)C1 2267286023 MENWQGGOXHXUSX-JOCHJYFZSA-N 466.409 2.491 30 10 JEEE CON(CCCNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2267413199 XNAKXJMPQHWGDW-UHFFFAOYSA-N 491.441 2.050 30 10 JEEE CCO[C@@H]1C[C@H](NC(=O)OC(C)(C)C)[C@@H]1NC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2267475405 KELRLRHQDRNZAW-MJBXVCDLSA-N 467.397 2.243 30 10 JEEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)[C@H]1C[C@H](O)CN1C(=O)OC(C)(C)C 2268633003 AKFCXSUCWVYVMQ-GOEBONIOSA-N 466.409 2.376 30 10 JEEE CN(C[C@H](O)CN(C)C(=O)c1cc(F)ccc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2281763106 LQSICYFDLWGKKM-MRXNPFEDSA-N 466.359 2.425 30 10 JEEE Cn1nc(C(=O)N2CC[C@@H](C3CN(C(=O)OC(C)(C)C)C3)C2)cc1B1OC(C)(C)C(C)(C)O1 2281960536 AVQFVXLOTRMKHH-OAHLLOKOSA-N 460.384 2.048 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@]1(CF)CCN(C(=O)OC(C)(C)C)C1 2281964932 FKYCPQXCVADBOO-JOCHJYFZSA-N 466.363 2.281 30 10 JEEE Cc1c(C(=O)N=[S@@](C)(=O)CCN(C)C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281984042 BYAVDXXLZNZRBM-XIFFEERXSA-N 484.428 2.133 30 10 JEEE Cn1cc(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 2282032647 IQKOQOKUNDNLEJ-ZOBUZTSGSA-N 460.384 2.237 30 10 JEEE CCn1cc(C(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2282039251 SCQGYJAXJXSLEZ-INMHGKMJSA-N 460.384 2.330 30 10 JEEE Cc1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2CO)ccc1B1OC(C)(C)C(C)(C)O1 2282123865 ASTUXXMQMACCKW-SFHVURJKSA-N 460.380 2.348 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](NC(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CCO1 2282175218 VRSWNPHEXVUZNI-ZWKOTPCHSA-N 461.368 2.183 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](O)CN(C(=O)c2cc(F)ccc2B2OC(C)(C)C(C)(C)O2)C1 2282398899 GWLMUMJHWPZURR-HZPDHXFCSA-N 464.343 2.225 30 10 JEEE CC1(C)OB(c2cnc(C(=O)N[C@H]3CCOC[C@H]3NC(=O)OCc3ccccc3)c(F)c2)OC1(C)C 2282536054 XESLINDCVHVASZ-VQTJNVASSA-N 499.348 2.334 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC3(CCC[C@H]3NC(=O)OC(C)(C)C)C2)n1 2282551031 GXSMNVRGWAZFOZ-MRXNPFEDSA-N 460.384 2.239 30 10 JEEE C[C@@H](NC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 2282553533 SANMKGAIHHLQGO-CVEARBPZSA-N 462.400 2.485 30 10 JEEE Cc1c(C(=O)N2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282554458 DZDQDCSPPZWLLY-MRXNPFEDSA-N 462.400 2.499 30 10 JEEE Cn1ncc(C(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)C(C)(C)C2)c1B1OC(C)(C)C(C)(C)O1 2282558534 CLRJZLUXRHZUDE-HNNXBMFYSA-N 462.400 2.485 30 10 JEEE C[C@H]1CN(C(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)C[C@]1(C)CNC(=O)OC(C)(C)C 2282578592 UBKUHDZYSSMZSF-WNSKOXEYSA-N 462.400 2.342 30 10 JEEE CC(C)(C)OC(=O)NCC1CCS(=O)(=NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CC1 2282596047 CCRRCRPNZDUUCY-UHFFFAOYSA-N 482.412 2.252 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2[C@@H]3C[C@@H]3CN2C(=O)OC(C)(C)C)n1 2282596590 CHMNWIUKADSWBB-BFYDXBDKSA-N 460.384 2.187 30 10 JEEE Cn1nc(C(=O)NC[C@@H](CNC(=O)OC(C)(C)C)C(F)(F)F)cc1B1OC(C)(C)C(C)(C)O1 2282623534 GDUJJEBAHFLMQE-LBPRGKRZSA-N 476.305 2.152 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC1(CN)CCN(Cc2ccccc2)CC1 2282689122 DOBCISAWZCNDKK-UHFFFAOYSA-N 452.408 2.048 30 10 JEEE Cc1cc(S(=O)(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)sc1B1OC(C)(C)C(C)(C)O1 2282835685 AFIDYXAKGXVTKV-QHCPKHFHSA-N 492.472 2.271 30 10 JEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)N1CCC(=CB2OC(C)(C)C(C)(C)O2)C1 2283964747 QCPZOKCNQHFKMU-KRWDZBQOSA-N 484.424 2.201 30 10 JEEE COCC1(NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2C)CN(C(=O)OC(C)(C)C)C1 2285202508 DPDLQASBTYEPRT-UHFFFAOYSA-N 461.368 2.055 30 10 JEEE COC(=O)[C@@H](CS(=O)(=O)Nc1ccc(C#N)c(Cl)c1)NC(=O)OCc1ccccc1 2286028821 WMDSENWASKRLHY-QGZVFWFLSA-N 451.888 2.421 30 10 JEEE COc1ccc(CNC(=O)COCCNC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2296187704 DHKASUFAGZDZHH-UHFFFAOYSA-N 464.368 2.152 30 10 JEEE Cn1cncc1C(=O)N1CCC([C@@H]2CN(c3ccc(C#N)c(C(F)(F)F)c3)C[C@@H]2C(N)=O)CC1 2297649884 DVZPZFROVDUEDY-ROUUACIJSA-N 474.487 2.401 30 10 JEEE CC(C)(C)OC(=O)NCCC[C@H](NC(=O)OCC[Si](C)(C)C)C(=O)ON1C(=O)CCC1=O 2325711936 OISVIDRMNMGJIT-AWEZNQCLSA-N 473.599 2.332 30 10 JEEE CCOc1cccc(C=Nn2c(CNC(C)=O)nnc2SCC(=O)Nc2nccs2)c1 2330748034 SZTYRABNMDAUKR-UHFFFAOYSA-N 459.557 2.382 30 10 JEEE COc1cc(C=Nn2c(SCCCO)nnc2[C@H]2CCCO2)ccc1OCCN1CCOCC1 2330993323 VRFUXXIEZCTJQY-HXUWFJFHSA-N 491.614 2.206 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@H]2C[C@H](NC(=O)c3csnc3B3OC(C)(C)C(C)(C)O3)C[C@H]21 2368862249 AOZPDJKIMKKWCX-FVQBIDKESA-N 479.408 2.339 30 10 JEEE C/C(O)=N/S(=O)(=O)c1ccc(NC(=O)[C@@H](C)NS(=O)(=O)/C=C\c2ccccc2)cc1 33497413 JJNHUYZKMDOMEI-WUFNSSIPSA-N 451.526 2.269 30 10 JEEE C#CCN(C(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1)[C@H]1CCS(=O)(=O)C1 729332037 SLYGVPGITXEBBA-HNNXBMFYSA-N 472.997 2.465 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C#N)cc2)ccc1F 749620580 NSRPAYVLRVLRJG-GOSISDBHSA-N 474.539 2.315 30 10 JEEE C#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](CCN(C)C)C(=O)O 757544594 DBQCVBDTKYAWCN-GOTSBHOMSA-N 463.534 2.438 30 10 JEEE CCOc1ccc(NC(=O)CSc2n[nH]c(NN=Cc3c(C)nn(CCO)c3C)n2)cc1 1083898658 ZFRVEDYVXQIKQP-UHFFFAOYSA-N 458.548 2.186 30 10 JEEE C=CCn1nc(C)c(C=NNc2nnc(SCC(=O)NCc3ccc(C)cc3)n2N)c1C 1083928612 NZNGVMBLXSTYRQ-UHFFFAOYSA-N 453.576 2.154 30 10 JEEE C=CCn1c(O)nnc1SCC(=O)N(C)CC(=O)Nc1ccc(Br)cc1C 1165840793 KAMISXVGNQNTIG-UHFFFAOYSA-N 454.350 2.430 30 10 JEEE C=CCOc1ccc(/C=C\C(=O)N2CCN(c3ccccc3S(N)(=O)=O)CC2)cc1OC 1168506277 YJFRYINGDZWVHV-LUAWRHEFSA-N 457.552 2.269 30 10 JEEE C#Cc1cncc(C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCOCC2)c1 1264226011 QJWWJHXXHLSVQF-UHFFFAOYSA-N 454.552 2.326 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCN/C(O)=C1\N=CC=CC1=O 1286276836 ZDNOBRPCWKPJHR-CQLPTELBSA-N 456.510 2.320 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1coc(-c2ccc(C)cc2)n1 1286297996 ZNOYQVSNNQRNRV-GHTZIAJQSA-N 498.609 2.275 30 10 JEEE C#CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1286317372 LIWXOSUVRQQBQB-HXUWFJFHSA-N 461.574 2.465 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1Cc1cccnc1OC)[C@@H]1CCS(=O)(=O)C1 1286381372 GGDUEZKPYYRIDI-LJQANCHMSA-N 467.551 2.032 30 10 JEEE C#CCN(c1nnc(CC)n1C[C@H](C)c1nc(-c2ccccc2)no1)[C@@H]1CCS(=O)(=O)C1 1286393313 JYEUIJOQTGNALI-FUHWJXTLSA-N 454.556 2.321 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CC1(CC)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1286394256 OIAVUAMSIBIDTB-RTBURBONSA-N 450.605 2.353 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@H]2CC[C@@H](C)C2)CC1 1286473500 NJMSRDPPKWKMOR-WOJBJXKFSA-N 470.643 2.387 30 10 JEEE C#CCN1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CC(O)(CCC)CCC)CC1 1286477235 SQVJJAUFHSWUEH-UHFFFAOYSA-N 487.674 2.325 30 10 JEEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2ncccc2F)CC1 1286511742 OJZUXFDDXDGDQG-UHFFFAOYSA-N 485.614 2.497 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1286558274 MMDNDFVZZRLZBJ-GBXCKJPGSA-N 470.593 2.199 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2OC)nnc1N1CCCN(S(C)(=O)=O)CC1 1286560664 HOKBMGSOEOZOQY-RXVVDRJESA-N 475.615 2.407 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCN1CCc2sccc2C1 1286568574 VDZGEOAINXBEOW-INIZCTEOSA-N 452.650 2.411 30 10 JEEE C=C(C)Cn1c(COc2ccccc2OC)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1286597661 ZBNNHOHSGDUIQG-UHFFFAOYSA-N 496.612 2.382 30 10 JEEE C=C(C)COCCn1c(N2CCN(c3ccnc(C)n3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1286614483 UEXJPBMOUDIVHY-DEOSSOPVSA-N 471.606 2.336 30 10 JEEE C=CCCOCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(C(=O)C(C)C)CC1 1286712404 YDYIZEYKYUSHCB-UHFFFAOYSA-N 482.633 2.349 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3ccccc3n2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1286816754 MYRYKNZFEJUFMO-GOSISDBHSA-N 489.623 2.108 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)ccc2C)nnc1N1CCC2(CC1)CNC(=O)C2 1286822558 FSVKIBPCEXGOOC-UHFFFAOYSA-N 487.626 2.181 30 10 JEEE C#CCOc1ccccc1CNC(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCCO2 1293534178 LCUVQGWTOAQDEU-UHFFFAOYSA-N 458.536 2.235 30 10 JEEE C#CCCCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)Cc2cccc(OC)c2)CC1 1300358271 OQGPOPYOZWRNDS-UHFFFAOYSA-N 459.554 2.439 30 10 JEEE C#CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCCN(S(C)(=O)=O)CC1 1300407780 CYWUUBQVNXYNHN-LJQANCHMSA-N 494.662 2.278 30 10 JEEE C#CCCCn1c(Cc2ccccc2OC)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1300412806 IDEAAPLYLABSRG-IBGZPJMESA-N 450.587 2.080 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@@H]1CCCN1CC)[C@@H]1CCS(=O)(=O)C1 1300498506 KRIKOYWPTNREMG-ZWKOTPCHSA-N 477.581 2.258 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1cc(C)cc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1300500944 GAVHSZHYRUMAAR-OAQYLSRUSA-N 482.610 2.132 30 10 JEEE C#CCN(CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@@]1(O)CCS(=O)(=O)C1 1300603430 RFBFJNPLTQCQOB-QFIPXVFZSA-N 471.608 2.386 30 10 JEEE C#CCSCCn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1300751244 JHBAEXSLJDNFFN-UHFFFAOYSA-N 487.029 2.236 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2OC)n1CCS(=O)(=O)N1CCSCC1 1300800443 ROFUVDLYICYAHP-JOCHJYFZSA-N 475.640 2.324 30 10 JEEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(F)F)CC1 1300863227 LKPVUNOECJQGGL-ZFWWWQNUSA-N 450.328 2.298 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H]1c1ccc(COC)o1 1301478191 ILRNRUVZOJONBU-QGZVFWFLSA-N 465.514 2.309 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CCN2C(=O)OC[C@@H]2C1 1301485138 RSVCDPPGFOWGPL-ZDUSSCGKSA-N 495.765 2.304 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)c2ncc(C)s2)C1 1301539844 WSTQVLDXUVJJDP-VNQPRFMTSA-N 454.622 2.238 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N(Cc1ccnn1C)C1CC1 1301577997 WQDFUQCRTRAABG-UHFFFAOYSA-N 461.979 2.497 30 10 JEEE Cc1ccc(C)c(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2CCC(=O)N2CCOCC2)c1 1304285024 DGAVTFDXQXQBNB-HSZRJFAPSA-N 456.522 2.165 30 10 JEEE N#Cc1ccc(OCc2nnc(N3CCO[C@H](C(F)(F)F)C3)n2CCS(=O)(=O)CC2CC2)cc1 1316533204 HJPPAARHPWHFCL-SFHVURJKSA-N 499.515 2.321 30 10 JEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2cnn3c(C(F)F)cc(C)nc23)c1 1357766981 KBQCTZFLIQVIOI-UHFFFAOYSA-N 453.449 2.462 30 10 JEEE C#CCCCn1c(-c2cccc(OC)c2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1358922614 LEAHVQCBGWOBOE-CVDCTZTESA-N 450.587 2.356 30 10 JEEE C#CCCCn1c(-c2ccc(Br)cc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1358922838 SPGSJVLQEWOWMM-UHFFFAOYSA-N 485.386 2.048 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CC[C@](C)(CC)O1)[C@H]1CCS(=O)(=O)C1 1358962088 KCJNXMCLCUUSNM-OZIGNCPNSA-N 450.605 2.494 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCc1ccsc1)[C@@H]1CCS(=O)(=O)C1 1358966793 WZTKOZUBAAHZFO-LJQANCHMSA-N 458.613 2.071 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@@H]1CCC[C@@H](O)C1)[C@@H]1CCS(=O)(=O)C1 1358967887 VBBDEFUTSRGWCS-MISYRCLQSA-N 476.574 2.174 30 10 JEEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@H]1CC(F)(F)CO1 1358981602 QEKOKEWOLRMNFS-QFIPXVFZSA-N 468.552 2.140 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(I)cc1 1359009447 QKMAJIKFWGQDDK-HNNXBMFYSA-N 484.363 2.293 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3OCC)n2CC2(N(C)C)CCOCC2)CC1 1359039600 OMLVTVKWZHAZMM-UHFFFAOYSA-N 482.629 2.122 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2Cc2nccc(C(F)F)n2)CC1 1359043456 URJHTBDTOKRXDO-UHFFFAOYSA-N 452.469 2.082 30 10 JEEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1359054985 PBQCDRONDAYNBN-UHFFFAOYSA-N 462.645 2.313 30 10 JEEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)c1ccc(F)c(F)c1 1359056938 OBRXPSZGSMXZPH-BEFAXECRSA-N 499.609 2.453 30 10 JEEE C#CCSCCn1c(COc2ccc(F)cc2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1359060789 HMKKNHRJILNRNH-HXUWFJFHSA-N 486.573 2.129 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H](C)CN1CCN(CC)CC1 1359074755 QCDTXOVMRDMOID-HXKBJWFLSA-N 458.651 2.268 30 10 JEEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(Nc2cc(OC)cc(OC)c2)CC1 1359283493 VVDZYOSGGBLISP-HNNXBMFYSA-N 464.592 2.172 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2CC(=O)NCC2CC2)C1 1359313370 LAEYVWLVIHTYNS-INIZCTEOSA-N 463.380 2.354 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCOC[C@H]2OC)C1 1359324224 GLBJLEDWUPYAKQ-KZNAEPCWSA-N 461.588 2.102 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](c2ccccc2F)C1 1359333073 NNTCCXBLOMVEHQ-QFBILLFUSA-N 450.536 2.100 30 10 JEEE C=CCn1c(S)nc2cc(C(=O)NCCCN3C(=O)COc4ccccc43)ccc2c1=O 1457683959 UDPRYJCRTAJRCL-UHFFFAOYSA-N 450.520 2.417 30 10 JEEE C#Cc1cccc(NC(=O)NC(=O)CSCCOCCN2C(=O)c3ccccc3C2=O)c1 1473029541 PTBUZPFHTPVITI-UHFFFAOYSA-N 451.504 2.362 30 10 JEEE CC[C@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCNC(=O)C(C)(C)C 1495773522 HYJYPBSTGGHUEG-IRXDYDNUSA-N 453.595 2.331 30 10 JEEE CCC[C@@](C)(O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1499957592 GHDQJYVRRXNEEC-SQJMNOBHSA-N 465.602 2.364 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1CCNS(=O)(=O)c1ccccc1 1507521035 UTHUELFVVYJODG-OAHLLOKOSA-N 491.415 2.483 30 10 JEEE C#CCN(c1nnc([C@@H](C)OCCOC)n1Cc1ccc(C)cc1F)[C@@H]1CCS(=O)(=O)C1 1507626315 NLYJNANLJYMVSB-IEBWSBKVSA-N 464.563 2.125 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1C[C@H](C)CN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1507626726 GVOFUEDTGZPWKT-NFBKMPQASA-N 485.654 2.103 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CC(C)(C)NC(=O)OC(C)(C)C 1507637540 QXDXDHQQAUQOMP-UHFFFAOYSA-N 451.531 2.302 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1cccnc1 1507700813 VRDHAUBIVBOYJE-KRWDZBQOSA-N 456.547 2.305 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@]2(O)CCSC2)CC1 1507721838 UQORSNHIAPJXAN-XMMPIXPASA-N 471.627 2.364 30 10 JEEE C=CCCOCCn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1507964417 FHYJPRXOQQLEKD-OAQYLSRUSA-N 457.550 2.428 30 10 JEEE C=CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CCCN1CCN(c2ccncc2)CC1 1507971075 ICWMRMLLKVJFGK-UHFFFAOYSA-N 461.574 2.155 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](CNC(C)=O)C1 1508103224 APQIBTTWOVZTFN-HXUWFJFHSA-N 466.586 2.480 30 10 JEEE CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCc2cnn(C)c2)CC1 1515557733 HRUARSOKQBBNMR-UHFFFAOYSA-N 489.628 2.173 30 10 JEEE C=CCN1CC[C@@H](N(C)C(=O)c2cccc(S(=O)(=O)N3CCc4ccccc4C3)c2)C1=O 1524738511 WEKYWZRXHIVMTK-JOCHJYFZSA-N 453.564 2.293 30 10 JEEE COC(=O)C1(C#N)CCN(C(=O)C(C)(C)S(=O)(=O)c2ccc(Br)cc2)CC1 1525698414 BWAIYCHYEPLWEY-UHFFFAOYSA-N 457.346 2.307 30 10 JEEE C#CCN(C)c1nnc(C(=O)NC(CC)CC)n1Cc1cccc(NC(=O)[C@H]2CCCO2)c1 1539145045 BQKLPVZLNGKQQW-HXUWFJFHSA-N 452.559 2.432 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1CCOc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1539216406 RFFMYLZXYKIEDM-LJQANCHMSA-N 455.515 2.185 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1C[C@H](F)CN1Cc1cccs1 1539296367 OUQQTRLKXHNXFV-FHWLQOOXSA-N 492.646 2.025 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccccc2OCC)nnc1N1CCO[C@@H](C(=O)NC)C1 1539642624 RLJZLIISRSIEQC-ZEYPLWLESA-N 485.585 2.188 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C(C)(F)F)cc1 1540074267 XHGHCIDHPPHIJJ-KRWDZBQOSA-N 455.531 2.393 30 10 JEEE C=CCn1c(N2CCN(c3c(C#N)c(C)nn3C)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1540861240 IWZRCKUIDSTHLB-HDICACEKSA-N 481.605 2.475 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2cc(C)ccc2C)CC1 1540861811 HLTKCXYQBRPZJX-UHFFFAOYSA-N 467.618 2.442 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCC(CC(=O)NC)CC1 1540901296 ZDKQVCCVWCCEHF-UHFFFAOYSA-N 484.626 2.390 30 10 JEEE COCCNC(=O)[C@H]1CN(C(=O)NC2CCCC2)CCN1c1ccc(C#N)c(C(F)(F)F)c1 1548367998 FBCKATJTRWQZHA-LJQANCHMSA-N 467.492 2.482 30 10 JEEE CN(C)C(=O)CC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCOC2=O)CC1 1552677724 APLZWXJUNGWLGB-UHFFFAOYSA-N 495.584 2.266 30 10 JEEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1554381200 AGKHMKSFUIFKMM-GUDVDZBRSA-N 453.591 2.134 30 10 JEEE Cc1nsc(N2CCN(C(=O)NC[C@H]3CN(Cc4ccccc4)CCCO3)CC2)c1C#N 1564560560 GKFUTEVAXZPMFR-FQEVSTJZSA-N 454.600 2.446 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCc1nccc(C(F)(F)F)n1 1587598372 AQSOOIRIDXXYIB-AWEZNQCLSA-N 468.447 2.430 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@@H](C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 1588059409 NNLONTKCQLSLCX-FPOVZHCZSA-N 473.618 2.367 30 10 JEEE C#CCN(CC#CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1Cc1ncn(C)n1 1588228595 HMTMJGOLAPUNKR-UHFFFAOYSA-N 452.563 2.032 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCSCC#C)CC1 1588930001 KVAMCXRWMDYVLU-NRFANRHFSA-N 465.579 2.123 30 10 JEEE C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C(F)F)C1 1589405342 RAZQZJUUOMRIRO-CHWSQXEVSA-N 484.367 2.001 30 10 JEEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCN1CCN(c2ccccc2)CC1 1594733382 SDUCFNAAYDCWDJ-OAQYLSRUSA-N 472.659 2.405 30 10 JEEE C=CCCOCCn1c(N2CCN(C(=O)NCC)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1594829564 LCSKAPCAIJKFCJ-KDURUIRLSA-N 491.637 2.493 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC=C(C)CC1 1595766533 RQBBQEHGMSGVBN-UHFFFAOYSA-N 450.586 2.106 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(Br)s1 1595788677 GLDBCYPMUDFNAR-ZDUSSCGKSA-N 488.433 2.290 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)c1cc(F)ccc1F 1595796736 BXCBDZWLPMVLOB-GJZGRUSLSA-N 488.582 2.257 30 10 JEEE C#CCOc1ccc(CNC(=O)NCc2cccc(NC(=O)CCN3CCOCC3)c2)cc1 1676959518 CUKXJRNHMXMQMB-UHFFFAOYSA-N 450.539 2.359 30 10 JEEE C#CCN(c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@@H](C)OC)[C@H]1CCS(=O)(=O)C1 1689983697 FOVJWDPWWVUPJD-AEFFLSMTSA-N 462.572 2.014 30 10 JEEE C#CCN(c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@](C)(O)CCC)[C@@H]1CCS(=O)(=O)C1 1689988756 VVMPVBHRLXOQCM-ZJSXRUAMSA-N 482.610 2.309 30 10 JEEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1CCc1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1689997023 UJZHLDPPCZCHLC-IBGZPJMESA-N 499.593 2.340 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H](C)Oc1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1689998256 GXJKILCXBGBLFH-WAOWUJCRSA-N 474.583 2.232 30 10 JEEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1690003013 AGMJCQBUPRHNRY-UGKGYDQZSA-N 483.535 2.045 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@@]2(C)CN(C)C2=O)CC1 1690111833 KOVBBPJSFDFDGZ-NBGIEHNGSA-N 450.587 2.268 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2C[C@@]2(N(C)C)CCSC2)CC1 1690140047 KATDVFXHLZJRRS-DEOSSOPVSA-N 452.628 2.348 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1C[C@H]1C 1690556148 OCFWUNBHFUUBHZ-LMNJBCLMSA-N 475.615 2.468 30 10 JEEE CCS(=O)(=O)NCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@](C)(C#N)C1 1696501527 DGRBOWKWRRSWIY-OAQYLSRUSA-N 462.576 2.032 30 10 JEEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1705509958 QNWMXRBVTJDKNO-OAQYLSRUSA-N 481.626 2.175 30 10 JEEE C#CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1705531473 KVAYGFYDNHPJMR-KRWDZBQOSA-N 463.542 2.365 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1c(CC)noc1C)[C@H]1CCS(=O)(=O)C1 1705564417 BDZWCRSRTDDDHU-KRWDZBQOSA-N 454.556 2.182 30 10 JEEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(C(C)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 1705566270 MTPXRJXRONHZFR-MSOLQXFVSA-N 477.537 2.016 30 10 JEEE C#CCN(c1nnc(CC)n1C[C@@H]1CCN(c2ccccc2OC)C1)[C@@H]1CCS(=O)(=O)C1 1705571134 WATOCBZCJIQSHU-RTBURBONSA-N 457.600 2.002 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(C)ccc1OC(F)F 1705589754 VOYHYQPNPXZGDV-INIZCTEOSA-N 465.526 2.309 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@H](OC)C(C)(C)C)CC1 1705640272 LVGCYJNLSZKGGO-WOJBJXKFSA-N 490.649 2.403 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H](C)N(C)c2ccccc2)CC1 1705652652 HUNBJLORMAZVKY-SSPYTLHUSA-N 494.640 2.493 30 10 JEEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1705693145 CANRFXIUKRZMMA-KKUMJFAQSA-N 469.340 2.180 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1705693771 KFQUZSJUWRMLFH-ZJOUEHCJSA-N 467.574 2.211 30 10 JEEE C=C(C)COCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN2CCOC[C@H]2C1 1705728864 AMYULEMAKHULNB-OAQYLSRUSA-N 454.575 2.261 30 10 JEEE C=CCCOCCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(C(=O)OCC)CC1 1705831435 RKYHPGMUAAZFKX-UHFFFAOYSA-N 453.547 2.388 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccnc(C(F)(F)F)c1)C1CC1 1705853897 GRRIFQSVOCRHBX-INIZCTEOSA-N 486.520 2.228 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCCN(C(=O)c2cccc(C)c2)CC1 1705904979 FCDYLRREAHEROD-UHFFFAOYSA-N 473.581 2.227 30 10 JEEE C=CCOc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(CC(=O)NC)CC2)cc1 1705911399 HAVZHRVRJUPDHZ-FQEVSTJZSA-N 487.626 2.146 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1705938247 SAYZOBRNKWRIJK-IBGZPJMESA-N 470.599 2.494 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCc3c(cccc3OC)C2)nnc1[C@@]1(OCC)CCOC1 1705939098 SAKJENWUMJDNQS-HSZRJFAPSA-N 476.599 2.102 30 10 JEEE Cc1ccc(S(=O)(=O)NCCn2c(Cc3ccncc3)nnc2N(C)C[C@@H](C)C#N)s1 1707560567 GNRLDWZIGGIAPU-HNNXBMFYSA-N 459.601 2.208 30 10 JEEE CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCn2ccnc2C)CC1 1708632713 BQQYZBPHKDWQER-IBGZPJMESA-N 475.601 2.059 30 10 JEEE CCn1cc([C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCS(=O)(=O)CC)CCO2)cn1 1710175391 FSXPCALDPTUDKU-HXUWFJFHSA-N 469.571 2.046 30 10 JEEE N#Cc1ccc(OCc2nnc(N3CCCCCC3)n2CCNS(=O)(=O)Cc2ccon2)cc1 1712880286 DFGLDWHHXDRMEO-UHFFFAOYSA-N 485.570 2.217 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1CCN(C)[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1722362771 OQJJIJVZMFGWQD-AZUAARDMSA-N 487.626 2.073 30 10 JEEE C=C(Cl)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(CC(=O)N2CCc3ccccc32)CC1 1722542514 CAFYWFYSCHVMQP-LJQANCHMSA-N 489.020 2.466 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCN(C)Cc2ccccc2)CC1 1722554384 DUTLBJSNPPSKGT-OAQYLSRUSA-N 493.077 2.187 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN(C(=O)c2ccsc2)CC1 1722701594 WKSUBVVTZNUBCZ-UHFFFAOYSA-N 456.597 2.257 30 10 JEEE COCCN(C)CCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCO[C@H](C#N)C1 1730726020 GWUYDYALOCJJPR-QGZVFWFLSA-N 493.406 2.413 30 10 JEEE CSc1ccc(CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@H](C)CC#N)cc1 1731073946 CFSCCGZCANTCOO-VQIMIIECSA-N 478.644 2.314 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1([S@@](C)=O)CCC1 1740539302 SOXKWVQMACVUCC-PBNKOMEISA-N 462.645 2.306 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@@]1(N(C)C)CCSC1)[C@H]1CCS(=O)(=O)C1 1740624788 KBYQDVWGMUZZGP-REWPJTCUSA-N 491.658 2.072 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1Cc1ccccc1CN1CCC[C@@H]1CO)[C@H]1CCS(=O)(=O)C1 1740628379 XHLYIMHDLGOAEL-RPWUZVMVSA-N 499.681 2.108 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C1CC1)N(C)C 1740686645 VMTBBJIAFHWVOQ-PMACEKPBSA-N 476.622 2.013 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccc(COCC(F)(F)F)c2)CC1 1740694788 UGOHMUMGEMNAIX-IBGZPJMESA-N 476.503 2.112 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CCc2ccc(OC)c(OC)c2OC)CC1 1740698029 NFGNFTKKGLINOR-UHFFFAOYSA-N 476.581 2.288 30 10 JEEE C#CCSCCn1c(N2CC(C)(C)O[C@@]3(CCOC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1740722111 DVFHSAMOCHZTKV-GOTSBHOMSA-N 464.632 2.459 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCCCO2)nnc1N1CCC(C(=O)NCCOC)CC1 1740743653 AWJOUKPUHNZMEJ-INIZCTEOSA-N 456.385 2.407 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC(OCC(N)=O)CC1 1740755712 LFKKZJIEKMJTJW-MBSDFSHPSA-N 485.585 2.414 30 10 JEEE C=C(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)CC(C)(C)CN1CCOCC1 1740780623 FTBSMDXJBGUJIL-UHFFFAOYSA-N 451.579 2.292 30 10 JEEE C=CCn1c(N2CCCN(c3nccc(OCC)n3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1740949270 BWOHODNPNHAXNW-QHCPKHFHSA-N 457.579 2.410 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)[C@H](C)CS(=O)(=O)CC 1740956902 UYWRMHNMYQCYSD-CYBMUJFWSA-N 457.959 2.299 30 10 JEEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H]1CN(CC(C)C)CCO1 1748897210 XHDQLNQMTKFLIS-QHCPKHFHSA-N 459.598 2.336 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCCO1 1748966030 ZHBDCGYQVZETKM-MOPGFXCFSA-N 463.579 2.242 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCn2cc(C)cn2)CC1 1748991027 OVPWTQLEURFADV-NRFANRHFSA-N 482.633 2.353 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)N(C)CC 1749068300 HUZIJPGKZJKBCC-GAJHUEQPSA-N 460.579 2.057 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)CCC(=O)NC 1749118858 KGADJRJYKLDOCI-YLJYHZDGSA-N 474.993 2.415 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2ccc(F)cc2C)C1 1749696743 DEXAFALIYATYHN-QFBILLFUSA-N 451.568 2.360 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1749726878 HRNLCLZBROMJBC-LJQANCHMSA-N 467.555 2.493 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC(C)(c2nc(C)no2)CC1 1749729185 DCBUPEBUKZGYQE-UHFFFAOYSA-N 457.560 2.190 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCc2cc(OC)c(OC)cc2CC1 1749736124 ZWTKRLXAVIJGKJ-IBGZPJMESA-N 476.599 2.005 30 10 JEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](c2cccc(Cl)c2)C1 1749738085 DTLAVBFIXRPRSD-LJQANCHMSA-N 494.017 2.233 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H](C)N1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1760185211 SCPPTEYBOXFKTG-UXHICEINSA-N 456.616 2.087 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1CC[C@@](C)(O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1760189087 NHALHUMRGUFLPP-ZJSXRUAMSA-N 465.579 2.265 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2Cl)n1CC1(O)CCS(=O)(=O)CC1 1760198969 RQAJEVMAUIYGMZ-UHFFFAOYSA-N 467.378 2.264 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccnc1OC1CCCC1 1760248486 AIBIPVIZRSSBCY-LJQANCHMSA-N 473.599 2.031 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCCN2C[C@@H](C)O[C@H](C)C2)CC1 1760251568 COJFTNKTDRFMKN-DHIUTWEWSA-N 493.656 2.402 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2CCC(=O)N2CCCCC2)CC1 1760264882 YGVXBRZOLDZAEI-UHFFFAOYSA-N 454.550 2.154 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)Oc2ccc(F)cc2)CC1 1760389430 KKNXRXFHSFEGOC-PXNSSMCTSA-N 479.578 2.374 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccccc2-c2cnn(C)c2)C1 1760535408 QFEXKVJGOZFBOR-YLJYHZDGSA-N 485.614 2.118 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1760548078 XXCXOUROKJSKDW-INDMIFKZSA-N 495.646 2.265 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1760551908 WGIIQRREXOTLBI-OAQYLSRUSA-N 473.643 2.267 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN(c2nc(C)c(C)s2)CC1 1760552699 YDLFXHQMAXTZAS-UHFFFAOYSA-N 473.628 2.341 30 10 JEEE C=CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1760566339 REZCWMAHVRSSLE-XLIONFOSSA-N 493.655 2.475 30 10 JEEE CCc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1764911729 HMTZKTXLJAEESG-JOCHJYFZSA-N 482.608 2.121 30 10 JEEE COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)NC(C)(C)C)C[C@H](C)O1 1769520539 GPEDBHGCMIUASI-FXAWDEMLSA-N 470.574 2.274 30 10 JEEE COc1cc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2C[C@@H](C)O)cc(OC)c1O 1862742346 CCLXPNUVNPTNGY-ADLMAVQZSA-N 458.423 2.277 30 10 JEEE CSCC[C@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)NC[C@H](O)c1ccc(Cl)cc1 1869933361 DZEOIOBRVZOWTB-IRXDYDNUSA-N 468.000 2.350 30 10 JEEE C=CCn1cc(OCC(=O)N(C)C[C@H]2CCCO2)c(=O)cc1CNc1ccc2c(c1)OCO2 1870992376 RDFSJWSXBUHUAU-LJQANCHMSA-N 455.511 2.391 30 10 JEEE CCN1CCN(CC#CCOC2CCN(C(=O)CCc3ccc(OC)cc3OC)CC2)CC1 1890372910 IOTPVNPFEZIOSA-UHFFFAOYSA-N 457.615 2.285 30 10 JEEE C=C(I)CS(=O)(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)O 1895191645 REWWXXBOCAYGIZ-ZDUSSCGKSA-N 467.281 2.120 30 10 JEEE Cn1ncc(C(=O)N[C@@]2(C)CCN(C(=O)OCc3ccccc3)C2)c1B1OC(C)(C)C(C)(C)O1 2255665472 GVENDWDORYDHJO-DEOSSOPVSA-N 468.363 2.250 30 10 JEEE C=C(CS(=O)(=O)N(C)C[C@@H]1COCCN1C(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2255795115 SGLJPKBEIKPUTL-MRXNPFEDSA-N 460.402 2.072 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2255832127 HZMCJOPEKOCNMM-HIFRSBDPSA-N 452.382 2.005 30 10 JEEE CC(C)(C)OC(=O)N1CC([S@@](C)(=O)=NC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C1 2255843565 ILMABXBXRVTPLT-WJOKGBTCSA-N 471.410 2.300 30 10 JEEE CC(C)(C)OC(=O)N[C@](C)(CC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)C(F)F 2256676155 MWEXYGHOKYOQFL-GOSISDBHSA-N 462.328 2.136 30 10 JEEE CN(CC1(O)CN(C(=O)OC(C)(C)C)C1)C(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2259111306 GDCLZFNWRUCJRN-UHFFFAOYSA-N 452.382 2.101 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2[C@@H]1NC(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2266994270 SCYXEGBCFSJAKS-DXEWXGHRSA-N 464.393 2.458 30 10 JEEE Cc1sc(C(=O)NCC2(CO)CN(C(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2267114061 CSFDKUFWRBQUPX-UHFFFAOYSA-N 466.409 2.315 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(NS(=O)(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267377823 KVKKQWLDZVMIRE-NYHFZMIOSA-N 464.393 2.274 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@H]1NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2267471083 DVGDFYYVGQYIHL-UONOGXRCSA-N 487.453 2.165 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H](C)C[C@@H](NC(=O)C(F)(F)F)C1 2267527598 JSKHQYLPHFJNOS-CMPLNLGQSA-N 461.315 2.280 30 10 JEEE CC1(C)OB(c2cc(C(=O)NCC[C@@H]3CN(Cc4ccccc4)CCO3)ns2)OC1(C)C 2267530428 AFGAXUFKCKWQTF-GOSISDBHSA-N 457.405 2.463 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CNS(=O)(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)s3)[C@@H]2C1 2267712324 DGXSXMGGTGRLRY-QDMKHBRRSA-N 484.449 2.439 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)N1CCc2sc(B3OC(C)(C)C(C)(C)O3)cc2C1 2268652597 IAGMDENTRAZCGF-GUYCJALGSA-N 466.409 2.206 30 10 JEEE CC(C)(C)OC(=O)N1CCCC12CC(C(=O)N=c1nc(B3OC(C)(C)C(C)(C)O3)[nH]s1)C2 2268662716 DIGJHRGGRZEXRP-UHFFFAOYSA-N 464.397 2.377 30 10 JEEE CC(C)(C)OC(=O)N[C@H](C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1)[C@H]1CCCO1 2268700912 MORSWHZZZYJXPH-CJNGLKHVSA-N 467.397 2.131 30 10 JEEE CC1(C)OB(c2ccnc(-n3cnc4c(I)ncnc43)c2F)OC1(C)C 2280557030 OLTAMJMPYBROCC-UHFFFAOYSA-N 467.051 2.253 30 10 JEEE Cn1nc(C(=O)N[C@H]2CCOC[C@@H]2OCc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2282034559 JSAGUHMXWOZBAK-IRXDYDNUSA-N 475.782 2.477 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H](O)C[C@@H]2CNC(=O)OC(C)(C)C)c1 2282091156 DVCXNFVCVNNNHS-SJORKVTESA-N 460.380 2.394 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]1C[C@H]2CNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2282180126 QJLZQXDCRSCQQB-UXLLHSPISA-N 458.368 2.151 30 10 JEEE CC[C@H]1CN(S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CCN1Cc1ccccc1 2282350448 NAWCJQPVLZSNER-IBGZPJMESA-N 474.436 2.004 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](O)CN1C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2282407960 AOXPJAFJSJYYBK-HOTGVXAUSA-N 464.343 2.225 30 10 JEEE COc1ccc(S(=O)(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2282506844 YIUYVYFIRQJZHZ-OAHLLOKOSA-N 482.408 2.282 30 10 JEEE CN(C(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1)[C@]1(CNC(=O)OC(C)(C)C)CCOC1 2282520744 VDJKQPHOZDQMRL-QHCPKHFHSA-N 461.368 2.137 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 2282675331 WCGPDAWWHGDQPW-XMMPIXPASA-N 460.380 2.396 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CC1(F)F 2283066867 BXLLUFDBPNNYCP-ZDUSSCGKSA-N 468.310 2.150 30 10 JEEE COC[C@@H](ONC(=O)OC(C)(C)C)C(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)ccc1F 2283946359 MQQVFNXIZGABDR-QGZVFWFLSA-N 468.331 2.212 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@H](CC(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2283984135 SLWLAZBUWJTPBE-HNNXBMFYSA-N 465.331 2.484 30 10 JEEE CC(C)(C)OC(=O)NCC1(C(=O)NCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2F)COC1 2285155184 CEWYBFSPRDFZIF-UHFFFAOYSA-N 464.343 2.282 30 10 JEEE CN[C@](C#N)(Cn1cnc(I)c1I)[C@@H]1C[C@@H]1C 2307809893 WJJOMHFJFHJLCF-VAOFZXAKSA-N 456.069 2.230 30 10 JEEE COc1ccc2c(C=Nn3c(SCC(=O)NC4CCCC4)nnc(C)c3=O)c(C(=O)O)[nH]c2c1 2321655155 HVOOYIQERKRDHM-UHFFFAOYSA-N 484.538 2.168 30 10 JEEE CCCNC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1N=Cc1cccc([N+](=O)[O-])c1 2329011970 DMIHVKPQJOHQPJ-MRXNPFEDSA-N 473.559 2.411 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2C[C@H](NC(=O)OC(C)(C)C)C[C@H]1C2 2362352356 CGOVSJNSJYTEBV-HRCADAONSA-N 460.384 2.237 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC12CCC2 2362355870 MQIIFUZECWWGFC-HNNXBMFYSA-N 460.384 2.239 30 10 JEEE CC(C)(C)OC(=O)N1CC(OCCCNC(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2362389315 SOEFFNKLTUOYRE-UHFFFAOYSA-N 461.368 2.137 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1[C@H]2CC[C@@H]1C[C@H]2CNC(=O)OC(C)(C)C 2362465689 TXBCIIOOUISYPM-XHSDSOJGSA-N 460.384 2.237 30 10 JEEE NS(=O)(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@@H]2c2cccnc2)cc1 170356593 PANUXUFHHRJDEY-FQEVSTJZSA-N 479.470 2.241 30 10 JEEE C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(OC)cc2)SC1=Nc1ccc(S(N)(=O)=O)cc1 254385139 STVQECJDDFDOJU-GOSISDBHSA-N 474.564 2.489 30 10 JEEE CN(C)c1ccc(C=NNc2nnc(SCC(=O)Nc3ccc4c(c3)OCCO4)n2N)cc1 1084146354 UNUHXPJNHYUMCK-UHFFFAOYSA-N 468.543 2.006 30 10 JEEE C#C[C@H](NC(=O)c1ccc(S(=O)(=O)N[C@@H](C)CO)cc1)c1ccc(Br)cc1 1141461500 WWRLESRHVGQAPE-UGSOOPFHSA-N 451.342 2.213 30 10 JEEE C#CCn1ccc(CN(CCOC)C(=O)NC[C@H](c2cccc(Cl)c2)N2CCOCC2)n1 1221687998 NKNYTVAZLFAKJS-JOCHJYFZSA-N 459.978 2.401 30 10 JEEE C#CCN(C(=O)NCCS(=O)(=O)CC(F)(F)F)C1CCN(C(=O)OC(C)(C)C)CC1 1252760899 QERKQCUAIAIYGP-UHFFFAOYSA-N 455.499 2.008 30 10 JEEE C#CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1286340249 YAHYGIOGZIZNLH-PGRDOPGGSA-N 465.558 2.256 30 10 JEEE C#CCCCn1c(CCc2ccc(OC)cc2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1286355520 RDBKLHYFPBMKCR-QFIPXVFZSA-N 464.570 2.252 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1C[C@H](F)COC)[C@H]1CCS(=O)(=O)C1 1286385256 LVGQEHAKCHMUIW-ULQDDVLXSA-N 468.526 2.168 30 10 JEEE C#CCN(c1nnc(-c2ccc(COc3ccccc3)o2)n1CCOC)[C@H]1CCS(=O)(=O)C1 1286389033 XTTUPKMPJITWNA-SFHVURJKSA-N 470.551 2.390 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@](C)(O)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 1286393722 RRWFMJDLVRQCOR-URXFXBBRSA-N 471.627 2.222 30 10 JEEE C#CCN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(N2CCOCC2)nc1 1286438512 ZQVZVRCPOHRKOY-DEOSSOPVSA-N 454.575 2.058 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCCCO2)CC1 1286486417 FAESWCYNJRJCSE-HXUWFJFHSA-N 452.515 2.388 30 10 JEEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cc(OC)c(OC)c(OC)c2)CC1 1286646530 SKAXTENCXCMMIP-KRWDZBQOSA-N 462.572 2.411 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCSC2(CCOCC2)C1 1286671917 BPIGZDGWLNSWMC-GOSISDBHSA-N 499.703 2.316 30 10 JEEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCCN(C(=O)c2cccc(F)c2)CC1 1286714538 RIYUQOSDIWDLPS-UHFFFAOYSA-N 484.576 2.485 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@H]2CCCN2C[C@H]1C 1286781244 PRPFSUMRXHTYEW-UYAOXDASSA-N 451.575 2.122 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCCN(c2nccs2)CC1 1286781929 DXCXZASBPXETOP-UHFFFAOYSA-N 453.572 2.429 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1286784162 XNSPSIGIGIHDPH-XDHUDOTRSA-N 471.558 2.039 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1Cc2ccccc2C1 1286791203 PMPCTJLDCHDRPM-LJQANCHMSA-N 468.558 2.409 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](C)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1300489162 JSOQDTMOCQFTHS-SJLPKXTDSA-N 465.023 2.351 30 10 JEEE C#CCN(c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1300495386 GYAUMGOTDOFFLW-IEBWSBKVSA-N 495.646 2.054 30 10 JEEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(Br)ccc1OC 1300603172 XOFKIUFBTCJIGL-CYBMUJFWSA-N 470.393 2.167 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1CC1(O)CCN(C(C)C)CC1 1300657031 DMNPRGVYDKMPHI-UHFFFAOYSA-N 493.450 2.367 30 10 JEEE C#CCSCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCO[C@@H](CNC(C)=O)C1 1300740667 AKOOYKNUILUBQX-AEFFLSMTSA-N 461.563 2.265 30 10 JEEE C#CCSCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1300742807 AHWYHRILGDLBCP-QHCPKHFHSA-N 471.583 2.196 30 10 JEEE C#CCSCCn1c(-c2cccc(OC)c2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1300743668 XELIOMBVLSLZIN-WMZHIEFXSA-N 482.654 2.309 30 10 JEEE C#CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](C)C1 1300763411 PBSQDZVCXQDMCB-SJORKVTESA-N 451.593 2.178 30 10 JEEE C=C(Br)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)COC)CC1 1300857328 AHSMJTAXEXVKJV-UHFFFAOYSA-N 468.327 2.200 30 10 JEEE C=C(C)Cn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1300956538 AFEBIDIZSYFCCH-SFTDATJTSA-N 451.619 2.467 30 10 JEEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1Cc2ccoc2CC(C)(C)C1 1301258651 XMWWQBBPHOASMK-FQEVSTJZSA-N 493.630 2.386 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CC(=O)N(C)C[C@H]1C 1301484917 OWNYXGAEAIQYQT-GFCCVEGCSA-N 481.782 2.330 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 1301492691 NFTCSEMWNISLOW-KRWDZBQOSA-N 482.585 2.355 30 10 JEEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN(c2ccccn2)CC1 1301507932 BLYXIOITMZRHTA-UHFFFAOYSA-N 461.570 2.096 30 10 JEEE C=CCS(=O)(=O)CCn1c(CSc2ccc(C)cc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1301593255 KWZLNCYLZKYWRQ-QUCCMNQESA-N 489.667 2.442 30 10 JEEE C#CCN1CCC[C@H](NC(=O)NCc2cccc(S(=O)(=O)NCc3cccc(F)c3)c2)C1 1311637758 FNJNQYAOSGQQEL-NRFANRHFSA-N 458.559 2.201 30 10 JEEE C#CCCCn1c(CC(C)(C)C)nnc1N1C[C@@H]2[C@H](C1)[C@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1358930494 WOVPDBRESKUOTF-KZNAEPCWSA-N 479.647 2.407 30 10 JEEE C#CCN(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@]1(O)CCS(=O)(=O)C1 1358939352 VAXCIOGYZOMWLO-IERDGZPVSA-N 466.991 2.307 30 10 JEEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCCO[C@H]1CCOC1 1358946976 OHCGQAMLKUFXMB-SFHVURJKSA-N 450.543 2.330 30 10 JEEE C#CCN(c1nnc(C2CCCC2)n1Cc1cccc(C(=O)N(C)C)c1)[C@@H]1CCS(=O)(=O)C1 1358962833 YBCZNXDBMQCVRX-OAQYLSRUSA-N 469.611 2.313 30 10 JEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCOCc2ccc(OC)cc2)CC1 1359038492 YIAXQQHPKVKWBD-UHFFFAOYSA-N 463.586 2.120 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2CCc2nnc(C)s2)CC1 1359039296 COLVARWGBQXXDF-UHFFFAOYSA-N 453.572 2.024 30 10 JEEE C#CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1359051084 LNNQPZYGLODBHP-OAQYLSRUSA-N 468.627 2.063 30 10 JEEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@](C)(CC)C1 1359292951 BUMOREOLIOATIP-QFIPXVFZSA-N 459.620 2.475 30 10 JEEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(c2nc(CC)ns2)CC1 1359342255 SPBCGPIWZJFXDD-HNNXBMFYSA-N 462.649 2.279 30 10 JEEE C#CCN(C)C(=O)c1cc(S(=O)(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)ccc1C 1447639528 JFSBTKICZZBXTB-UHFFFAOYSA-N 452.536 2.299 30 10 JEEE COc1ccc(CCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CN(CC(C)C)CCO2)cc1 1504230113 BRMTYTWDXLZKNP-DHIUTWEWSA-N 468.602 2.157 30 10 JEEE COc1ccccc1Cc1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1504406373 HPPTXUABRGISRE-WZONZLPQSA-N 472.615 2.289 30 10 JEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1507594028 YBYBAIMZPMXOLR-UHFFFAOYSA-N 497.669 2.208 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCc1ccncc1)[C@H]1CCS(=O)(=O)C1 1507628488 WVIJXYLRSINSNX-FQEVSTJZSA-N 466.523 2.118 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](c1ccccc1)N1CCCC1 1507660721 YJELNLNRMDHAEI-RBBKRZOGSA-N 468.627 2.188 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1nc2cc(OC)ccc2n1C 1507661128 NHOQJDSPRBTNFO-RUZDIDTESA-N 462.554 2.337 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1cnccc1OC 1507663279 VXFVKELBLJRCOR-UHFFFAOYSA-N 478.578 2.110 30 10 JEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)NCc2ccc(F)cc2)CC1 1507843178 JSJAFGUQEZMRAY-OAQYLSRUSA-N 484.576 2.494 30 10 JEEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1508061845 ZDAPCMRODDJXHR-UHFFFAOYSA-N 473.578 2.099 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@H](OCCOC)C1 1508074281 RQUYZDWJJBOPGD-HNNXBMFYSA-N 482.354 2.391 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1508095248 UIJFKMDHRHBSFR-CZUORRHYSA-N 457.428 2.454 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1508135664 KUAGYWWEKCCEPI-IBGZPJMESA-N 473.599 2.146 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cn(C)c3ccccc23)nnc1N1C[C@H](C)O[C@@H](COC)C1 1508137733 QOHYFNOBPCAZAE-ZWKOTPCHSA-N 473.599 2.278 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1508141666 XEEDBYIYAGPXGE-GOSISDBHSA-N 496.515 2.499 30 10 JEEE CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1515312865 DNYSTOWJJSOXKV-NRFANRHFSA-N 478.557 2.001 30 10 JEEE CCN(c1nnc(-c2cccc(C#N)c2)n1CCN(C)CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1515392887 FSNQJTCVNGXWER-QGZVFWFLSA-N 470.521 2.324 30 10 JEEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(C(=O)C(C)C)CC1 1539118730 DYUGYNFPPJSBJB-UHFFFAOYSA-N 450.591 2.170 30 10 JEEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 1539177657 AOGIBRKGLDYQPB-DLBZAZTESA-N 463.604 2.039 30 10 JEEE C#CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1CC1(O)CCS(=O)(=O)CC1 1539196792 YANIWUVWPWSKRC-UHFFFAOYSA-N 455.005 2.233 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1nc2cc(OC)ccc2n1C 1539337526 KEHKIYQQOYRNOK-MBSDFSHPSA-N 462.554 2.409 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1nc2cccc(Cl)c2n1C 1539392144 MLKIWSKNMIBZDO-UHFFFAOYSA-N 455.950 2.189 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2CC2CCN(CCN(C)C)CC2)CC1 1539484095 BUJAUOHZLMTUSU-UHFFFAOYSA-N 483.705 2.250 30 10 JEEE C#CCSCCn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1539519510 JFMQRCJOYKLQQH-OAQYLSRUSA-N 453.612 2.371 30 10 JEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccccc2OC)CC1 1539723074 WYVQSERQGQFMAL-UHFFFAOYSA-N 454.575 2.442 30 10 JEEE C=CCSCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCN(C(=O)NC)CC1 1540919334 NUSYULWAXOOTPJ-UHFFFAOYSA-N 498.701 2.023 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccccc1Cl 1541115743 DVGQFUYXZGMSDG-YJBOKZPZSA-N 466.995 2.103 30 10 JEEE Cc1nn(C)c(N2CCN(C(=O)[C@H]3CCCN(C(=O)Nc4ccccc4F)C3)CC2)c1C#N 1556216678 BOQJCZLLFIFNAQ-KRWDZBQOSA-N 453.522 2.332 30 10 JEEE C#C[C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(F)cc1)C1CCOCC1 1557578431 LOIVXWJJNHVTJL-PKTZIBPZSA-N 456.539 2.486 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1CCc1nccs1)[C@@H]1CCS(=O)(=O)C1 1588034637 JRXJMTKQOHGWPV-QGZVFWFLSA-N 487.607 2.288 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCNS(=O)(=O)Cc1ccon1 1588099644 UDRMVMKULXDSMW-UHFFFAOYSA-N 498.634 2.456 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1snnc1C 1588550577 VDPXAESIZSABAH-INIZCTEOSA-N 460.560 2.167 30 10 JEEE C#CCN(CCOC)c1nnc(CC(C)(C)C)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1588646477 KZIZORLIVNCPBQ-MOPGFXCFSA-N 451.637 2.157 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H](OC)c2ccccc2)CC1 1588892194 ZDOJBXYGQNOOBE-ATIYNZHBSA-N 481.597 2.284 30 10 JEEE C#CCSCCn1c(-c2ccccc2C)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1589043306 XHHCMJDYQCYXHI-LJQANCHMSA-N 452.628 2.409 30 10 JEEE C=C(C)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)CC(=O)N1CCOCC1 1593621204 OXCQHLQIADEXNE-UHFFFAOYSA-N 465.558 2.107 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC2CCOCC2)CC1 1594497359 GBATZYLWCRTVFS-HXUWFJFHSA-N 465.664 2.331 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCCN(C(=O)CCc2ccccc2)CC1 1595545468 XNTACSABBWKYDZ-QFIPXVFZSA-N 480.613 2.146 30 10 JEEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](Cc2ccccc2)C1 1595577637 ZHGGNHKDLNCDJH-LJQANCHMSA-N 480.594 2.020 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCN(Cc2cscn2)CC1 1595822597 IDTNWISRDPLJMY-UHFFFAOYSA-N 464.661 2.390 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCO[C@H](C#N)C1 1595823926 TZJQTERFYMQLSS-OAHLLOKOSA-N 486.381 2.493 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@@H](c1ccco1)N(C)C 1611662911 ANIMFONUIDRDKP-LPHOPBHVSA-N 471.587 2.292 30 10 JEEE CC[C@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@@H]1CCOC[C@@H]1OC 1613314238 HAOOBRJPXQXUIG-QRFRQXIXSA-N 456.595 2.083 30 10 JEEE CNS(=O)(=O)c1cccc(Cn2c(-c3cccc(C)n3)nnc2N2CC[C@@](F)(C#N)C2)c1 1618837809 CHYGONRRPCOSLC-OAQYLSRUSA-N 455.519 2.047 30 10 JEEE CS(=O)(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CSCCS2)CC1 1620171427 ARCRBFCQVCOGKF-GOSISDBHSA-N 478.669 2.183 30 10 JEEE C=C[C@@H]1OCC[C@H]1NC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1 1658272317 UVWDRODKWAMOMF-NQIIRXRSSA-N 464.588 2.163 30 10 JEEE C#C[C@H](C)NC(=O)Nc1ccc(N2CCOCC2)c(S(=O)(=O)Nc2ccc(OC)cc2)c1 1665752976 SFDUDHBZZYERMB-INIZCTEOSA-N 458.540 2.476 30 10 JEEE C#CCN(c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@](C)(O)CCC)[C@@H]1CCS(=O)(=O)C1 1689988753 VVMPVBHRLXOQCM-QPPBQGQZSA-N 482.610 2.309 30 10 JEEE C#CCSCCn1c(Cc2c[nH]c3ccccc23)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1690180665 IRIGUEXHXNLICE-YLJYHZDGSA-N 453.568 2.077 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@H](C(N)=O)C1 1690237424 YPSLCWKMJHXGMB-NSHGMRRFSA-N 452.559 2.440 30 10 JEEE C=C(C)COCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1690305479 AURLCRONWUSXIT-QGZVFWFLSA-N 477.587 2.032 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(-n2cccn2)cc1 1690597378 RUBNMWASIPXUBE-NRFANRHFSA-N 483.598 2.023 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1690664598 YWUXALHWXRQWRO-LJQANCHMSA-N 455.950 2.311 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 1690724390 NUMPITAXEOUERM-QUCCMNQESA-N 468.620 2.142 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1690729149 HMYGDNCCPKUSDG-QFIPXVFZSA-N 495.609 2.190 30 10 JEEE CC(C)CC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(c3ccc(C#N)cn3)CC2)CC1 1692057453 ADAWJZWGWIHWSP-GOSISDBHSA-N 486.646 2.308 30 10 JEEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@H](CC)NC(=O)OC(C)(C)C 1694733966 DHVYJZDCLJOMDO-KRWDZBQOSA-N 471.610 2.384 30 10 JEEE CCN1CCN([C@H](C)Cn2c(-c3nnc(O)c4ccccc34)nnc2N(C)C[C@@H](C)C#N)CC1 1695866915 BNGFYXSNKBBRMP-ZWKOTPCHSA-N 463.590 2.216 30 10 JEEE CCOCc1nnc(N2CCN(c3ccccc3C#N)CC2)n1CC1(N(C)C)CCOCC1 1696328465 DVODBIIZFPHYPN-UHFFFAOYSA-N 453.591 2.124 30 10 JEEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(C)CCCS2)CC1=O 1698096577 HHJAPMJYRVUCAC-HSZRJFAPSA-N 470.599 2.309 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1CCS(=O)(=O)NC(C)C 1705480768 VWUDENQUTBMPPL-CQSZACIVSA-N 454.394 2.493 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2C[C@@H](C)N2CCOCC2)c1 1705507074 QSIKTPJJOYBAMU-HXUWFJFHSA-N 473.581 2.041 30 10 JEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1705516698 HKMVROTXOCGWLU-AWEZNQCLSA-N 456.494 2.219 30 10 JEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2ccc(C)cc2)CC1 1705517490 WVNLGBNJHZMHQM-OAQYLSRUSA-N 469.611 2.255 30 10 JEEE C#CCN(C)c1nnc(-c2cc(F)ccc2Br)n1CC1(C(N)=O)CCOCC1 1705544011 BYNUVALQCRGXNP-UHFFFAOYSA-N 450.312 2.198 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@]2(C)CN(C)C2=O)CC1 1705633921 BUBGBNBCKLQZCE-NRFANRHFSA-N 475.366 2.080 30 10 JEEE C#CCN1CCN(c2nnc(-c3nn(C(C)C)c(=O)c4ccccc34)n2C[C@](C)(O)CC)CC1 1705638857 ZKFPSAVRKFLVHX-RUZDIDTESA-N 463.586 2.152 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC2([S@@](C)=O)CC2)CC1 1705646023 OAOKRCFKFARAOX-MGBGTMOVSA-N 490.029 2.484 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2CCN2CCCCC2)CC1 1705651371 USWUXDNRFGSKGT-UHFFFAOYSA-N 468.577 2.448 30 10 JEEE C#CCSCCn1c(Cc2ccsc2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1705663613 NQTGGMBXXSGPHL-UHFFFAOYSA-N 472.684 2.431 30 10 JEEE C=C(C)COCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1705730089 CHCDWCPEBMDNDK-SFHVURJKSA-N 486.573 2.120 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1705737471 RVDRFGPHQZJSGA-QGZVFWFLSA-N 481.022 2.148 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1705786357 MCTFWSIXMJEUOC-MOPGFXCFSA-N 479.651 2.209 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(Cc2ccc(OC)c(F)c2)CC1 1705899625 APUAWGPRLQNLQM-UHFFFAOYSA-N 465.533 2.112 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1705935610 WWJAULOCPCRVEE-UHFFFAOYSA-N 466.696 2.072 30 10 JEEE CC(C)C(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCN2CCCO)CC1 1706222449 ARVABFUTAZFXIT-QHCPKHFHSA-N 479.629 2.405 30 10 JEEE Cc1ccc(-c2nnc(N3CCN(c4nccnc4C#N)C[C@@H]3C)n2CCC(=O)NC(C)C)o1 1707366241 FKEDOGRYFCQCJO-INIZCTEOSA-N 463.546 2.138 30 10 JEEE CCc1ccccc1OCc1nnc(N(C)C[C@@H](C)C#N)n1C[C@H]1CCCN1S(C)(=O)=O 1708939793 DPSQXCHKKPSMLO-PKOBYXMFSA-N 460.604 2.439 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ccc(NC(C)=O)nc1 1722275271 ASDROPWCNVGTSY-MRXNPFEDSA-N 481.582 2.055 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)N(C)C2CC2)c1 1722307096 YTHRXVFJWFCFPC-GOSISDBHSA-N 463.586 2.053 30 10 JEEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1cccnc1OCCOC 1722350241 QPSWWRRBMCLEEN-UHFFFAOYSA-N 473.537 2.213 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCCOC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1722361351 HOXWOZVAFDHQSB-FQEVSTJZSA-N 488.610 2.166 30 10 JEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1CCN1CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1722371079 GVXVFTDPDPOSRM-RBBKRZOGSA-N 485.654 2.183 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCN1CCCS1(=O)=O 1722386009 OUZLFFJPUGRHAR-UHFFFAOYSA-N 469.611 2.263 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccc(Cl)c3)n2Cc2cnnn2C)n1 1722427124 HGJNVARZNUVBCK-UHFFFAOYSA-N 465.949 2.258 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCCCC2(F)F)CC1 1722441256 OYIPIXGDVAYWPD-GOSISDBHSA-N 462.545 2.305 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC[C@@H]2COCCO2)CC1 1722444369 YEDJTMDATHITPV-HXUWFJFHSA-N 489.523 2.318 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2CCc2nnc(C)s2)CC1 1722448949 DMWFQBSVWQSIBN-UHFFFAOYSA-N 479.610 2.268 30 10 JEEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 1722461931 VNUALRVTTAGFKT-QHCPKHFHSA-N 462.623 2.486 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](Oc2ncccc2F)C1 1722536321 DGQDIRRBDUXDSJ-MSOLQXFVSA-N 479.578 2.355 30 10 JEEE C=CCN(C)c1nnc(-c2ccc(F)cc2Br)n1CC1(O)CCS(=O)(=O)CC1 1722633628 ALCHSYGPKLTGAU-UHFFFAOYSA-N 473.368 2.409 30 10 JEEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1722683698 WHXYGRPXESGZMD-VGOFRKELSA-N 461.588 2.156 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCO[C@]2(CCOC2)C1 1722694846 KNARRNFMHVFBDA-XMMPIXPASA-N 471.558 2.040 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC2(S(C)(=O)=O)CC2)C1 1722714800 LVGAFOQXVGANMB-QGZVFWFLSA-N 462.572 2.321 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(C)nc3ccccc23)nnc1N(C)C[C@@H](C)C(=O)NC 1722724424 WQQYQKCMWSGVPB-MRXNPFEDSA-N 470.599 2.221 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCC[C@H](N2CCCC2=O)C1 1722728903 CHPOTYRMROPHOD-NRFANRHFSA-N 471.627 2.369 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCc2cc(F)ccc2C1 1722730605 XFOUDDVSUFUTFL-UHFFFAOYSA-N 458.563 2.442 30 10 JEEE CC(C)CCN(CCC#N)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@]1(O)CCN(C)C1 1723419592 FEQFATQVTSSZBB-DEOSSOPVSA-N 464.574 2.427 30 10 JEEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)C2CC2)CCN1CC(F)(F)F 1726670518 FABVZEHXOKJLRH-HNNXBMFYSA-N 461.492 2.416 30 10 JEEE COc1cc(OC)cc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H]2CCCCS2(=O)=O)c1 1730016196 FRWGTXPRXNJKEZ-RXVVDRJESA-N 463.535 2.372 30 10 JEEE C#CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCC(OCC(N)=O)CC1 1740589080 OECFWUHMVIBXFI-UHFFFAOYSA-N 477.569 2.120 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1CC(C)(C)COC)[C@H]1CCS(=O)(=O)C1 1740619872 LZVJXFZTDCXZAW-KRWDZBQOSA-N 476.599 2.262 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCOc1ncccc1F 1740639619 DKDBIGOCHMQNDA-LJQANCHMSA-N 484.532 2.272 30 10 JEEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(CCOC)[C@@H](CC)C1 1740715242 GIFHSNINLBPWOA-IBGZPJMESA-N 495.653 2.105 30 10 JEEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)COc2ccc(F)cc2)CC1 1740722746 JFSSIHGERONDMN-HXUWFJFHSA-N 473.574 2.363 30 10 JEEE C=C(C)COCCn1c(-c2ccccn2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1740790565 JMLRDMWAAYUHKA-REWPJTCUSA-N 467.618 2.312 30 10 JEEE C=CCNC(=O)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N(C)[C@H](C)CC(N)=O 1740953113 VXPWUFDBPSXFAQ-CQSZACIVSA-N 453.572 2.379 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1740955183 YBZABSWLXAOURD-NVXWUHKLSA-N 477.656 2.447 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](c2ccccc2C)C1 1740967003 ZPDDQKJSPGSSAV-DWLFOUALSA-N 455.559 2.191 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@H](CC)O[C@H](C)C1 1740985953 ONYMHGAJFWDTER-APWZRJJASA-N 496.033 2.466 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCS(=O)CC1 1740994176 NQDHHXFSMLMZEY-UHFFFAOYSA-N 493.438 2.333 30 10 JEEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(=O)c2ccsc2)CC1 1740997159 WIYVKSLXSPUHSH-INIZCTEOSA-N 498.700 2.222 30 10 JEEE CC[C@@H](C)[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1743479624 IFZZLUITLCQEJM-KBMIEXCESA-N 467.618 2.260 30 10 JEEE CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 1745790904 CVQHTYZELOMABI-OAQYLSRUSA-N 499.641 2.174 30 10 JEEE CCN(c1nnc(-c2ccc(C#N)cc2)n1CCc1nnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1745947478 IAIHBPBDQZHSFJ-QGZVFWFLSA-N 457.585 2.233 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CN(CC(C)C)CCO1 1748664142 CYCQQIRPEDKWHA-RTBURBONSA-N 473.647 2.053 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C/C=C/c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1748804070 COBMVJRFDLIMJZ-ZGXDCCKXSA-N 470.595 2.270 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@@H]1CCCN1CCC)[C@H]1CCS(=O)(=O)C1 1748811404 GLGNENFMRDIYBB-PMACEKPBSA-N 471.627 2.455 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1CC(=O)NC1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1748818448 BQMSJPGEBLRLTG-JOCHJYFZSA-N 483.638 2.253 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CC1(OCC)CCCC1)[C@H]1CCS(=O)(=O)C1 1748820146 ZPZITPJWMQKXQZ-FQEVSTJZSA-N 457.600 2.240 30 10 JEEE C#CCN(c1nnc(COCC)n1C[C@@H](c1ccccc1)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1748823824 CABYCWIZLSSIKK-YADHBBJMSA-N 471.627 2.278 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2CC2CCOCC2)CC1 1749019442 UHQIVGQKXAYSCF-UHFFFAOYSA-N 455.534 2.389 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(C(N)=O)CCCC1 1749056778 SUEFNKVZLKUXIM-JOCHJYFZSA-N 455.584 2.386 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1749132767 CUIRKFVIORKLFG-NFBKMPQASA-N 488.658 2.495 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1749176085 YJWBYXMRAJOHLO-GOSISDBHSA-N 476.603 2.486 30 10 JEEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1ccc(COC)o1 1749268467 AUCIKIVCTBYKGF-SJLPKXTDSA-N 485.994 2.444 30 10 JEEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)c2ccccc2)CC1 1749457612 SQGDYPHKBALOIR-FQEVSTJZSA-N 452.559 2.174 30 10 JEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)c1nc(C)cs1)C1CC1 1749519353 JRJLQGOMPCHYRD-RHSMWYFYSA-N 466.633 2.334 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)c1ccccn1 1749575306 PQOLPNAYHXZFQD-SFHVURJKSA-N 460.604 2.162 30 10 JEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2ccc(Cl)s2)C1 1749630135 OTGAWGAWEPWAED-KGLIPLIRSA-N 474.008 2.090 30 10 JEEE C=CCSCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1749760445 JCZMUSUWYKHSEV-IBGZPJMESA-N 498.653 2.221 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCN1CCN(CC)CC1 1760116940 LMZLIZCYFRTVRU-SFTDATJTSA-N 489.665 2.072 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3csc(C)n3)n2CCCN2CCOCC2)c1 1760127473 ADXWLPLVEWJIKZ-UHFFFAOYSA-N 493.637 2.412 30 10 JEEE C#CCCCCn1c(-c2cc(Br)cn2C)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1760130147 FCOQXLYUGHNWRM-OAHLLOKOSA-N 454.394 2.473 30 10 JEEE C#CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1ccc(-n2cncn2)nc1 1760171543 DFISCVHBJGBKGV-IBGZPJMESA-N 477.573 2.486 30 10 JEEE C#CCN(c1nnc(-c2cccc(Br)c2)n1CC1(C)COC1)[C@H]1CCS(=O)(=O)C1 1760181086 PGWNAWOPNXMEKN-KRWDZBQOSA-N 479.400 2.371 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H](C)Oc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1760183458 BKZNPSHKUFBHSP-RTBURBONSA-N 451.552 2.434 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@H](OC)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1760190670 TZWWEVQKEAZTAG-VXKWHMMOSA-N 465.579 2.278 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1CCN1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1760190716 UTHMHWUTDFRLMA-JOCHJYFZSA-N 485.654 2.236 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(N(C)C)CCCC1 1760195990 CNJJOPYLBGGWRQ-UHFFFAOYSA-N 468.627 2.143 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](OC(C)C)c2ccccc2OC)CC1 1760251858 JQGNLDUAHWRAKA-QFIPXVFZSA-N 468.602 2.346 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCc2cccc(OCC)c2)CC1 1760269129 ZDIPPQNJUXHLST-UHFFFAOYSA-N 461.570 2.286 30 10 JEEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1ccc(O)cc1 1760281360 MRTOMXCEWJODIZ-WOJBJXKFSA-N 491.639 2.025 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2ccccc2C)CC1 1760281624 PCKORNBSLCVCLC-OAQYLSRUSA-N 473.668 2.177 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1760525208 XPELLTODYAHIKY-LJQANCHMSA-N 454.550 2.053 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N(C)C[C@H]1CN(CC)c2ccccc2O1 1760555907 QOAFCYNPIUVQDK-MOPGFXCFSA-N 475.615 2.107 30 10 JEEE C[C@H]1CN(CCCn2c(-c3cc(Br)c[nH]3)nnc2N2CCO[C@H](C#N)C2)C[C@@H](C)O1 1763197962 HNCGSHFUXMMCMA-HLLBOEOZSA-N 478.395 2.264 30 10 JEEE COC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2CCS(=O)(=O)CC2)CC1 1767894247 AGCBCVFWWMFHFM-UHFFFAOYSA-N 457.556 2.031 30 10 JEEE C[C@H]1CN(C2CCOCC2)CCN1c1nnc(COc2ccc(C#N)cc2)n1CCCC(=O)N(C)C 1770673743 COFDDYUBJKRXHT-FQEVSTJZSA-N 495.628 2.287 30 10 JEEE C=CCn1cc(OCC(=O)Nc2ccc(C(C)=O)cc2)c(=O)cc1CN(CCOC)CCOC 1870400270 ABNMBNJOJHOLBG-UHFFFAOYSA-N 471.554 2.349 30 10 JEEE C#CCOc1cn(C[C@@H](c2ccccc2)N2CCCC2)c(CN2CCC(C(N)=O)CC2)cc1=O 1870563965 VMGKAXDKIOXHRZ-DEOSSOPVSA-N 462.594 2.395 30 10 JEEE C=CCn1cc(OCC(=O)NC[C@@H]2CCCO2)c(=O)cc1CNc1cc(OC)c(OC)c(OC)c1 1870983830 YFAQTYHKAXJHAW-IBGZPJMESA-N 487.553 2.346 30 10 JEEE CCCN(CCC)C(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1ccc2c(c1)OCCO2 1874435207 SMJZQZNOADDNOV-ZMOGYAJESA-N 474.587 2.308 30 10 JEEE CCN(CC)c1cccc(OCC#CCNC(=O)c2c3c(nn2[C@H]2CCS(=O)(=O)C2)CCC3)c1 1890325451 AYPWRERZJQTLFH-FQEVSTJZSA-N 484.622 2.390 30 10 JEEE N#Cc1ccnc(OCC2CCN(S(=O)(=O)c3ccc(N4C(=O)CCC4=O)cc3)CC2)c1 1891674798 BZKCUZWNIWXFTI-UHFFFAOYSA-N 454.508 2.086 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NC[C@H]2CN(C(=O)OCc3ccccc3)CCO2)C1 2247555573 YBDKXGBBXPSFLQ-PSWPWZSKSA-N 471.554 2.447 30 10 JEEE CC(C)(C)OC(=O)NCC[S@@](C)(=O)=NC(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2255700466 CUXSPPACROVSBH-WJOKGBTCSA-N 453.370 2.144 30 10 JEEE Cc1ccc(S(=O)(=O)NC[C@H](C)NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2255744273 JRKALDWHIDCRDV-HNNXBMFYSA-N 454.398 2.486 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](NS(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2255804175 ZXNMHDJRODLCNR-HNNXBMFYSA-N 472.438 2.476 30 10 JEEE CC(C)(C)OC(=O)N[C@]1(C(=O)NCc2ccc(B3OC(C)(C)C(C)(C)O3)s2)CCOC1 2256616807 DVHWAUMSJHQWKL-OAQYLSRUSA-N 452.382 2.347 30 10 JEEE C[C@@H](CCN(C)C(=O)OC(C)(C)C)N(C)C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2267006512 OECYYQBZJKNHQW-HNNXBMFYSA-N 450.389 2.437 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)[C@@](C)(CO)C1 2267136053 CTCVHWFJFDZSCV-JOCHJYFZSA-N 466.409 2.491 30 10 JEEE Cn1ncc(CNC(=O)OC(C)(C)C)c1NC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2267148858 FPNCYFLVPXTZEI-UHFFFAOYSA-N 463.369 2.453 30 10 JEEE C[C@@H](NC(=O)OC(C)(C)C)c1nc(NC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)n[nH]1 2267174046 BOWHVOIXSHBGOR-SNVBAGLBSA-N 464.357 2.398 30 10 JEEE CN(CCCCCNC(=O)OC(C)(C)C)C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2267191280 ABJDCRNIFHSPOC-UHFFFAOYSA-N 450.389 2.486 30 10 JEEE CC1(C)OB(c2scnc2CS(=O)(=O)N2C[C@H]3C[C@H]2CN3Cc2ccccc2)OC1(C)C 2267410958 RLRGSJSZSGYPEO-MSOLQXFVSA-N 475.445 2.231 30 10 JEEE Cn1nc(C(=O)N[C@@H]2CCON(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2267500211 FKBHQSUKETVYLO-GFCCVEGCSA-N 470.763 2.044 30 10 JEEE COC1CC(NC(=O)OC(C)(C)C)(C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)C1 2268706688 QPXZBZSHQTXQGW-UHFFFAOYSA-N 467.397 2.131 30 10 JEEE C[C@@H]1C[C@@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)CCN1C(=O)OC(C)(C)C 2281962785 CYTWJDJJOGJXBU-CVEARBPZSA-N 462.400 2.485 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@]2(C)C1 2282045287 ZXDJCACHIJYWLN-IQMFZBJNSA-N 460.384 2.048 30 10 JEEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1N(C)C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2282051120 GCRLNQVFWUSWRI-NVXWUHKLSA-N 462.400 2.437 30 10 JEEE CC(C)(C)OC(=O)N1CC(CCO)(NC(=O)c2c(F)cccc2B2OC(C)(C)C(C)(C)O2)C1 2282464876 PMTZJRGGVFHVFK-UHFFFAOYSA-N 464.343 2.227 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)c(F)c2)C1 2282477916 WQOUQJSUNWOEKK-MSOLQXFVSA-N 464.343 2.225 30 10 JEEE Cn1cc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC23CCC3)nc1B1OC(C)(C)C(C)(C)O1 2282550818 DQSJTQTZYLKQLD-MRXNPFEDSA-N 460.384 2.239 30 10 JEEE Cc1c(C(=O)N(C)[C@@H](C)C2CN(C(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282568780 ICTJLWKMDFSCQC-HNNXBMFYSA-N 462.400 2.355 30 10 JEEE CC1(C)OB(c2cc(C(=O)Nc3cc(F)cc(CNC(=O)C(F)(F)F)c3)[nH]n2)OC1(C)C 2282580163 PCSOEULNDCFEQT-UHFFFAOYSA-N 456.205 2.279 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H](NC(=O)OC(C)(C)C)[C@@H]2COC[C@@H]21 2282592356 BTIOMFVTEQGRNE-KKUMJFAQSA-N 479.408 2.115 30 10 JEEE CN(C(=O)OC(C)(C)C)C1CCC(NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CC1 2282701770 ZDMRBZWTBHMAJV-UHFFFAOYSA-N 463.388 2.022 30 10 JEEE CC(C)(C)OC(=O)N1CC2(C1)CN(C(=O)c1cc(B3OC(C)(C)C(C)(C)O3)c(O)cc1O)C2 2282967991 QGLGGCLVSRRQFX-UHFFFAOYSA-N 460.336 2.090 30 10 JEEE COC[C@H](ONC(=O)OC(C)(C)C)C(=O)N1CCc2c(B3OC(C)(C)C(C)(C)O3)cccc21 2283946988 UXAFDYRKNNVXSN-SFHVURJKSA-N 462.352 2.346 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)N1CCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C1 2283977712 SSHUKWNGVDHDDB-KXBFYZLASA-N 460.380 2.145 30 10 JEEE CC(C)(C)OC(=O)NCc1ncc(C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)cn1 2283981741 PMNLSMURYTZDRJ-UHFFFAOYSA-N 455.324 2.448 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CO)C(=O)NCc1sc(Cl)cc1B1OC(C)(C)C(C)(C)O1 2303780912 NARJITUPYKGUIH-LBPRGKRZSA-N 460.789 2.203 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NC[C@H]2C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C2)C1 2312839428 KOGQBTYKARKNEX-PPUIFIOYSA-N 451.564 2.074 30 10 JEEE CCOCCCN1C(=O)C(=Cc2c(C)c(C#N)c(=O)n(CC)c2N2CCN(C)CC2)SC1=S 2314426301 VUXFWAUGMAZLBX-UHFFFAOYSA-N 489.667 2.428 30 10 JEEE CC(C)(C)OC(=O)NC1([C@H](O)C#CC2(S(C)(=O)=O)CC2)CCN(Cc2ccccc2)CC1 2319391431 QVPSZYAARLWRQY-HXUWFJFHSA-N 462.612 2.487 30 10 JEEE CC(C)(C)OC(=O)N1CC(OCCCNC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C1 2337064627 VXCMATRWMZSLSJ-UHFFFAOYSA-N 467.397 2.198 30 10 JEEE CC(C)(C)OC(=O)NCC[C@H]1CN(C(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)CCO1 2337339295 RSKNVMWRBIQUKX-AWEZNQCLSA-N 467.397 2.198 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C1CC1 2362346466 SDVTVQFHUOHHQY-JKSUJKDBSA-N 460.384 2.237 30 10 JEEE CC(C)(C)OC(=O)NC[C@]12CN(C(=O)c3cnsc3B3OC(C)(C)C(C)(C)O3)C[C@H]1CCO2 2362505196 LOMXGRGJKIOAIK-PEBXRYMYSA-N 479.408 2.198 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@]2(C[C@@H](NC(=O)c3cnsc3B3OC(C)(C)C(C)(C)O3)CO2)C1 2362576833 OCQJDJWIRJSYKY-PEBXRYMYSA-N 479.408 2.341 30 10 JEEE Cc1cc(CNC(=O)[C@H]2C[C@@H](O)CN2C(=O)OC(C)(C)C)cc(B2OC(C)(C)C(C)(C)O2)c1 2369677196 JAEWYMFGYWZWCC-RTBURBONSA-N 460.380 2.281 30 10 JEEE Cc1nn(C(C)C)c(C)c1/C=N/Nc1nnc(SCC(=O)NC2CC(C)(C)NC(C)(C)C2)n1N 20912096 PPSUGPWLFTYCMB-BHGWPJFGSA-N 490.682 2.350 30 10 JEEE N#Cc1c(N2C(=O)[C@@H]3[C@H](CCC(=O)O)N[C@@]4(C(=O)Nc5ccccc54)[C@@H]3C2=O)sc2c1CCCC2 26991456 HQXWOTGBDHTKKO-KHTISZTLSA-N 490.541 2.288 30 10 JEEE Cn1cc(/C=N/Nc2nc(SCC(=O)Nc3ccc(I)cc3)n[nH]2)cn1 59310806 QBMRWZJNDJGWJI-UBKPWBPPSA-N 482.311 2.320 30 10 JEEE CC(=O)OC[C@H]1O/C(=N\OC(=O)Nc2ccccc2)[C@H](N=[N+]=[N-])[C@@H](OC(C)=O)[C@@H]1OC(C)=O 138263114 GLJBDDJEYOOSQF-UEIUYJIUSA-N 463.403 2.053 30 10 JEEE in-vitro CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](Oc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 208073851 WUBVHEXSRLHCFD-QZTJIDSGSA-N 490.410 2.305 30 10 JEEE CSCCCn1c(=C(C#N)c2nnc3n2CCCCC3)sc(=Cc2cnn3ccccc23)c1=O 729669402 OWHJSVUBEXNTIT-UHFFFAOYSA-N 491.646 2.180 30 10 JEEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)c1cccc(CN2CCS(=O)(=O)CC2)c1 747284661 BQHCWTISPRBJMN-IBGZPJMESA-N 499.589 2.418 30 10 JEEE N#CCCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1NC(=O)C[C@H]1C(=O)O 757547368 UFJSJVUPLHRBPT-RTWAWAEBSA-N 476.489 2.304 30 10 JEEE COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)OC(=O)[C@@H](C)Oc1ccc(C#N)cc1 821043784 BKNSNACJVYLSCZ-HUUCEWRRSA-N 475.523 2.155 30 10 JEEE CCOc1ccccc1NC(=O)CSc1nnc(NN=Cc2cccc([N+](=O)[O-])c2)n1N 1084510222 CACCEVJJCNGMEB-UHFFFAOYSA-N 456.488 2.476 30 10 JEEE COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)Nc3scc(C)c3C#N)CC2)c1 1217531771 BTMPFGREVBONRO-UHFFFAOYSA-N 450.542 2.484 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(=O)NC(C)(C)C 1286295457 IZBYKNLWNJHWFV-SJORKVTESA-N 462.595 2.349 30 10 JEEE C#CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1286344795 JQLFGADRVXNMMO-UHFFFAOYSA-N 475.553 2.196 30 10 JEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1ccc(C)cc1SC)[C@H]1CCS(=O)(=O)C1 1286381484 MVMAIRKHOCRPCO-IBGZPJMESA-N 487.651 2.219 30 10 JEEE C#CCN(c1nnc(C(C)C)n1C[C@H](C)N1CCN(c2ccccc2)CC1)[C@H]1CCS(=O)(=O)C1 1286386286 YAABJQYIZMYJFR-GMAHTHKFSA-N 484.670 2.239 30 10 JEEE C#CCN(c1nnc(-c2nnc(O)c3ccccc23)n1CC(C)(C)COCC)[C@@H]1CCS(=O)(=O)C1 1286390127 XOSYJRRURMVPRE-QGZVFWFLSA-N 498.609 2.283 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccc(C)n2)n1CCNS(=O)(=O)CC 1286455983 KPHUDJSYIIGAPO-UHFFFAOYSA-N 456.547 2.367 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@H]2COCCO2)CC1 1286474994 PPLKBMRPLSIWJF-SFHVURJKSA-N 460.376 2.187 30 10 JEEE C#CCN1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CCSC(F)(F)F)CC1 1286477394 ZLWPQNCOXUWMKN-UHFFFAOYSA-N 487.577 2.246 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccc(Cl)c2C)CC1 1286490711 PRZSQAFNQLJZDJ-IBGZPJMESA-N 454.962 2.205 30 10 JEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(CC(F)(F)F)CC1 1286495780 FGYDAHDJAOOVFC-CYBMUJFWSA-N 453.556 2.424 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCc1n[nH]c(C)n1 1286567480 VYDKBHXVQMMPFP-UHFFFAOYSA-N 458.592 2.267 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CCOC2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1286673600 ZCCYNRLKWDYJCF-FQEVSTJZSA-N 472.634 2.325 30 10 JEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2cc(OCC)c(OCC)cc2C1 1286776182 IBHMQTAYBQZNEK-OAQYLSRUSA-N 491.614 2.157 30 10 JEEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1286780343 NHTYERZOXGYDLJ-AUSIDOKSSA-N 457.600 2.137 30 10 JEEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCC(N2CCCCC2=O)CC1 1286789950 JGPWYUAZLZXASU-UHFFFAOYSA-N 450.587 2.347 30 10 JEEE C=CCOc1ccccc1Cn1c(Cc2ccccn2)nnc1N1CCCN(S(C)(=O)=O)CC1 1286798087 BLLRMOROQPWBRO-UHFFFAOYSA-N 482.610 2.349 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cccc(OC)c2OC)C1 1286810333 PQBHLRURZHEOSL-QZTJIDSGSA-N 462.572 2.027 30 10 JEEE Cc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@@](C)(C#N)C2)cc1 1289680342 GASDOBDJBANWAM-UGKGYDQZSA-N 458.588 2.098 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@](C)(O)c1cc(C)oc1C)[C@H]1CCS(=O)(=O)C1 1300498121 HCVFYAIGWKXLLB-RDPSFJRHSA-N 483.594 2.008 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCCN1CCC 1300516028 HUFRYGRUKXYHDI-NRFANRHFSA-N 468.627 2.143 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2scnc2C)CC1 1301126477 VGEIGEDLMXAUCM-KRWDZBQOSA-N 466.633 2.021 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 1301492200 AEVOHQLANVDPON-QGZVFWFLSA-N 498.584 2.464 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H](C)C[C@@H](C)C1 1301575939 NGIKXXQTIZQVFI-HDICACEKSA-N 495.671 2.279 30 10 JEEE CCN(CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H](C)C#N)CCC(F)(F)F 1313812978 AOIJSVNIRRBZQY-HUUCEWRRSA-N 450.531 2.050 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1(C(=O)NCC)CCC1 1358886051 WUWQORLSBGRWLL-QGZVFWFLSA-N 461.570 2.439 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCNC(=O)c1ccco1 1358896223 ZRZZRVQPEJTNJT-OAQYLSRUSA-N 475.597 2.124 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@](C)(O)c1cc(C)oc1C)[C@@H]1CCS(=O)(=O)C1 1358961375 XMHVQESDZFLKOV-WZONZLPQSA-N 469.567 2.084 30 10 JEEE C#CCN(CC#CC)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@H]1CC(=O)N(CCOC)C1 1358996853 VCJQPJKWNMSDDV-FQEVSTJZSA-N 458.566 2.308 30 10 JEEE C#CCN(CCOC)c1nnc(Cc2ccc(F)cc2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1359025755 XXIHOBSJQBSSDF-IRLDBZIGSA-N 489.617 2.298 30 10 JEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](C(CC)CC)N2CCOCC2)CC1 1359038332 RYGBWZQDMFPJRG-XMMPIXPASA-N 482.677 2.032 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCCCCO)CC1 1359040121 IYNYCMGFAXAVQI-UHFFFAOYSA-N 466.586 2.276 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1359047885 XKZLWFSMSXJNJD-JOCHJYFZSA-N 492.624 2.390 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccn3C)n2CCNS(=O)(=O)c2ccc(C)s2)C1 1359319320 XGXNGMMQVAZFBJ-KRWDZBQOSA-N 476.628 2.413 30 10 JEEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 1359345372 DJTKQUBQNPZLDV-UHFFFAOYSA-N 468.627 2.343 30 10 JEEE CC(C)(C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1359492198 DSRNFUBAUYNZLS-WOJBJXKFSA-N 452.559 2.363 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1C[C@@H](C)N1CCc2ccccc2C1 1360671113 CLYIZPSVFQBLGR-QZTJIDSGSA-N 471.631 2.075 30 10 JEEE C=CCS(=O)(=O)CCNC(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1O 1466319952 LVHXGYXCDJGYFU-UHFFFAOYSA-N 458.945 2.177 30 10 JEEE C=C[C@@H]1OCC[C@H]1NC(=O)N[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 1470053424 FTPSVAKWIRKKJN-UAGQMJEPSA-N 458.378 2.245 30 10 JEEE CCO[C@@]1(c2nnc(N(C)Cc3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CC2)CCOC1 1502634749 GMTOKUWOXNBNCB-QFIPXVFZSA-N 459.572 2.015 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2CC[C@@H]2COCCO2)c1 1507552719 ROKYNDUAUKKMQS-JOCHJYFZSA-N 460.538 2.126 30 10 JEEE C#CCCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1507556058 YCRZEVPGDCHGOQ-GOSISDBHSA-N 492.671 2.364 30 10 JEEE C#CCCCCn1c(-c2cnccn2)nnc1N1CCC(CC(=O)N2CCN(CC)CC2)CC1 1507559885 XZSJNKNFAPTVAQ-UHFFFAOYSA-N 464.618 2.309 30 10 JEEE C#CCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1507606129 AVBISKYBXVRKHS-UHFFFAOYSA-N 451.487 2.177 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1CC1(COC)CCC1)[C@H]1CCS(=O)(=O)C1 1507637204 ABKVXXRZBDDSFZ-SFHVURJKSA-N 476.574 2.440 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCCC(F)(F)C1 1507689925 NVXKLSVGDADMSM-DLBZAZTESA-N 459.563 2.286 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC2(NC(=O)OC(C)(C)C)COC2)CC1 1507721198 LSOJEPYACXMMQG-UHFFFAOYSA-N 487.992 2.042 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@H]2CCCO2)CC1 1507739857 GHBOSAZLJLYFSA-OAQYLSRUSA-N 453.543 2.011 30 10 JEEE C#CCSCCn1c(N2CCN(Cc3csc(C)n3)CC2)nnc1[C@]1(OCC)CCOC1 1507757765 BRXJHODSKXQNSN-QFIPXVFZSA-N 476.672 2.384 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2F)n1CCS(=O)(=O)N1CCSCC1 1507766319 MRHVUOGOAXWVAU-OAQYLSRUSA-N 463.604 2.455 30 10 JEEE C=C(Br)Cn1c(-c2cccn2C)nnc1N1CCN(c2nccc(OC)n2)CC1 1507784313 KMVNBFARTGPMQI-UHFFFAOYSA-N 459.352 2.317 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCC[C@@H](COC)C1 1508089861 GKHHAQQLPUPCTO-RTBURBONSA-N 492.621 2.142 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCO[C@H]1CCCC[C@@H]1C 1509683124 GZKPZTOHQVSRHH-ZJOUEHCJSA-N 495.632 2.388 30 10 JEEE CCN(CC)CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2CCOCC2)CC1 1515557644 HHVPUGFHOQOUSD-UHFFFAOYSA-N 465.602 2.234 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1ccc(OC)c(OCC)c1)[C@@H]1CCS(=O)(=O)C1 1539215641 HRIFQMHCGYYCPT-HXUWFJFHSA-N 481.578 2.422 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H]1CC[C@](C)(CC)O1)[C@@H]1CCS(=O)(=O)C1 1539224884 JPQBYCUCDHCHND-QTEQDKRBSA-N 457.600 2.238 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCCN1CCCO[C@@H](C)C1 1539232899 UADXRMJDCOPVJZ-FQEVSTJZSA-N 483.016 2.435 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H]2CCCCN2CC)CC1 1539468242 CDGWVAAEPPBIRB-BKMJKUGQSA-N 486.661 2.159 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(CC)cc3)n2CCC(=O)NCCC)CC1 1539470496 RSAKCIZQGMBEKI-UHFFFAOYSA-N 450.587 2.390 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](NC(=O)OC(C)(C)C)C(C)C)CC1 1539477783 YNHRRJRFJSSPCB-HXUWFJFHSA-N 498.632 2.194 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2C[C@@H](F)COC)CC1 1539484508 RMOIFRKARCYLDW-LJQANCHMSA-N 452.534 2.301 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCN(C)C(=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1539643913 YDZTTZORDAYHGG-XSYGEPLQSA-N 474.606 2.308 30 10 JEEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)COc2ccc(F)cc2)CC1 1539998904 SBVGQGHZTLXHJM-LJQANCHMSA-N 456.522 2.062 30 10 JEEE C=CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1540853412 HIHHAJMRWITVSZ-GOSISDBHSA-N 451.575 2.122 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)Cc1cnc(C)s1 1540864634 GTFDPHUVQHOHHB-UHFFFAOYSA-N 460.585 2.052 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1540866043 AZGQEFMRZHKZBK-INIZCTEOSA-N 496.996 2.044 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCc2ccn(C)n2)C1 1540892812 ROCFRYSFDGZAHS-PMACEKPBSA-N 487.605 2.344 30 10 JEEE C=CCSCCn1c(-c2cccn2C)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1540913481 VGLCMCPUARWKAI-WIYYLYMNSA-N 457.648 2.192 30 10 JEEE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3ccc(C#N)cc3)n2CCCO[C@H]2CCOC2)C1 1540937965 HPCVQEIENHYACU-IRLDBZIGSA-N 452.559 2.317 30 10 JEEE CCC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1)OC 1546908488 HZOAFWVBCOKCIQ-HXUWFJFHSA-N 460.604 2.492 30 10 JEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@]2(C)CCN(C(=O)OCc3ccccc3)C2)cc1 1568460971 IZHFSSYJNOUOOW-QHCPKHFHSA-N 455.536 2.129 30 10 JEEE C#CCCN1CCC(NC(=O)CN(CCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)CC1 1586802756 NTMYZDUELAHHCY-UHFFFAOYSA-N 452.596 2.352 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC[C@](C)(O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1588050807 VFPPWKXTCILNRZ-CVDCTZTESA-N 453.568 2.198 30 10 JEEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1Cc1cnn(C)c1C)[C@@H]1CCS(=O)(=O)C1 1588069186 JEMVSXBAZQRBNR-OAQYLSRUSA-N 482.610 2.191 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1nnc(CC)s1)[C@@H]1CCS(=O)(=O)C1 1588074457 MXJUNVPTEPZUBS-GPMSIDNRSA-N 492.671 2.286 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](F)c2ccc(Br)cc2)CC1 1588806344 NVEOHEJGCIHXMS-QZTJIDSGSA-N 475.366 2.458 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2sccc2C)CC1 1588890508 APUNMLJLWYNOLH-QHCPKHFHSA-N 457.600 2.314 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(N(C)C)cc2C)CC1 1588924037 URVJAUPSLPMIQE-UHFFFAOYSA-N 458.570 2.124 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCNC(=O)C1CC1 1589171781 SHENKKGXCJTSJA-XMMPIXPASA-N 453.543 2.489 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1593747268 SZWNIMBICCVNAC-IBGZPJMESA-N 483.635 2.078 30 10 JEEE C=CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1594720587 PREWCFBIDBEXCE-UHFFFAOYSA-N 499.641 2.409 30 10 JEEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1595335290 QDHHMOJFDPVSEI-UHFFFAOYSA-N 498.657 2.054 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCC3(CC2)CNC(=O)C3)cc1 1595608653 VYTQEQSXSFMQIN-UHFFFAOYSA-N 452.559 2.136 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@@H](CC(N)=O)C1 1595773158 RSQZJZJSMTXJFN-HNNXBMFYSA-N 496.431 2.400 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1595777315 KZEGHQOHQHDEAP-LJQANCHMSA-N 484.626 2.107 30 10 JEEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C(F)(F)F)C1 1595884645 PKXWLNIEVULMKV-CABCVRRESA-N 483.582 2.309 30 10 JEEE CCS(=O)(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2nccs2)CC1 1617356574 HTYLRCGPAGFWPY-UHFFFAOYSA-N 471.612 2.424 30 10 JEEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1CCn1cc(Br)cn1 1617907505 GBZXECNBVAMWSM-KRWDZBQOSA-N 469.347 2.396 30 10 JEEE CN1C(=O)c2cccc3c(S(=O)(=O)N[C@@H]4CN(C(=O)OC(C)(C)C)C[C@H]4C#N)ccc1c23 1654905448 HLEMKMTUMJXGGH-CZUORRHYSA-N 456.524 2.467 30 10 JEEE C=CCC1(O)CCN(S(=O)(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)cc2)CC1 1666229830 MLKJNEBGSKAZOU-HDICACEKSA-N 456.630 2.445 30 10 JEEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1689932207 UMQWTAQINLOZSL-OALUTQOASA-N 495.646 2.403 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC(C)(C)c1cccs1)[C@H]1CCS(=O)(=O)C1 1689987987 HEAKMFYGNRPTAU-KRWDZBQOSA-N 458.613 2.345 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(=O)N(C)C1CCCCC1 1690039749 RJKNAEYZXAXHAY-UHFFFAOYSA-N 471.569 2.175 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CCN(CC)C(=O)OC(C)(C)C)CC1 1690150738 SMJLENYKSBKZRV-UHFFFAOYSA-N 495.628 2.487 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccc(C[S@](C)=O)cc2)CC1 1690154724 XQOROJUQCSIEKZ-PPGPUPIYSA-N 469.611 2.022 30 10 JEEE C=CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1690642260 FRZUIRDZUSCUJY-OALUTQOASA-N 474.606 2.406 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC(S(=O)(=O)CC)CC1 1690661851 IZUAPLFSRCVBMF-UHFFFAOYSA-N 483.598 2.041 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](c2ccccc2)C[C@@H]1C 1690723994 FWNCYVVCGKHXLE-SXLOBPIMSA-N 478.640 2.163 30 10 JEEE C[C@H](CC#N)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCN1CCCS1(=O)=O 1692659628 GRMSMRFFJHMZSL-MRXNPFEDSA-N 454.560 2.109 30 10 JEEE COC[C@H](Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CC[C@@](F)(C#N)C1)OC 1697760253 ANPBVCYQXKLMIV-QMHKHESXSA-N 469.521 2.339 30 10 JEEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccccc2OCC)CC1 1705533451 MWSZPFSCSVXUNP-IBGZPJMESA-N 450.543 2.004 30 10 JEEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCNC(=O)C(C)C 1705534466 IZUYQWNWVGDXQN-SFHVURJKSA-N 462.595 2.208 30 10 JEEE C#CCN(c1nnc(-c2ccccc2F)n1CCCNC(=O)c1occc1C)[C@H]1CCS(=O)(=O)C1 1705563700 CVTDDNXUQYRVJS-SFHVURJKSA-N 499.568 2.432 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@]1(N(C)C)CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1705564848 QSBOVTHVTLHMRI-ROKPMTFOSA-N 470.643 2.477 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](CC)c3ccccc3)n2CC(=O)NC(C)C)CC1 1705645572 XZBGSNGHSOCELX-OAQYLSRUSA-N 450.587 2.310 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc4cccnc34)n2CC[S@@](=O)CC)CC1 1705645772 DSFPXLKVCJKSEZ-XIFFEERXSA-N 464.595 2.228 30 10 JEEE C#CCSCCn1c(-c2cccc3cccnc23)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1705657123 TYICXVNAVQJYTL-IEBWSBKVSA-N 451.552 2.220 30 10 JEEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1705730765 NRFIYNNIVFGGQY-UHFFFAOYSA-N 471.562 2.433 30 10 JEEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1705805298 DKKAOCNRZSAVQM-RTBURBONSA-N 493.634 2.118 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1705906396 CPIPYDVOIBCWJF-UHFFFAOYSA-N 492.628 2.222 30 10 JEEE C=CCS(=O)(=O)CCn1c(N(C)C[C@@H](C)C#N)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705938991 OTOYFPFFGRYROI-YESZJQIVSA-N 466.608 2.245 30 10 JEEE CN(C)C(=O)COc1cccc(Cn2c([C@@H]3CCCCO3)nnc2N2CC[C@@](F)(C#N)C2)c1 1710991124 GPNQJGODBIHBOU-WMZHIEFXSA-N 456.522 2.477 30 10 JEEE CO[C@@H]1COCC[C@@H]1Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)C[C@@H](C)C#N 1712097500 BWXSEGZSEBGSLL-DFQSSKMNSA-N 454.579 2.099 30 10 JEEE C#CCN(CC)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1722407366 JHAHJHILUKXFHW-GOSISDBHSA-N 475.615 2.482 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H](C)Oc2ccccc2F)CC1 1722446921 BNNJFWWJJPEOQZ-MJGOQNOKSA-N 455.534 2.354 30 10 JEEE C#CCSCCn1c(N2CCN(C3CCOCC3)C[C@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 1722464327 BTHASEFOOFVYLC-HYBUGGRVSA-N 477.675 2.375 30 10 JEEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1722602635 AHBOMCCWFPQMIH-IAGOWNOFSA-N 494.584 2.040 30 10 JEEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1722682125 MKIDLYWTDHXZIT-KRWDZBQOSA-N 481.022 2.155 30 10 JEEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1722732149 HOERKEPQJNUYOI-DLBZAZTESA-N 456.682 2.118 30 10 JEEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCN(C)C(=O)OC(C)(C)C)CCO1 1729679467 IDADDVNBDJDZHM-IBGZPJMESA-N 483.573 2.025 30 10 JEEE COCCN1C[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N(C)Cc2nccs2)CC1=O 1730780906 HFDLNCQWFLFMBE-KRWDZBQOSA-N 451.556 2.405 30 10 JEEE N#Cc1cccc(-c2nnc(N3CCC(C(=O)NCC(F)(F)F)CC3)n2C[C@@H]2COCCO2)c1 1731178629 DDACSUVFZIIJLO-GOSISDBHSA-N 478.475 2.127 30 10 JEEE C#CCCCCn1c(Cc2cccnc2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1740576087 YHURWAOJETVQGY-UHFFFAOYSA-N 477.613 2.008 30 10 JEEE C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@H]1CCOc2ccccc21)[C@H]1CCS(=O)(=O)C1 1740616757 GMGWWXNSPJZSQB-ZCNNSNEGSA-N 488.610 2.195 30 10 JEEE C#CCN(c1nnc(-c2cc(C)nc3ccccc23)n1C[C@@](C)(O)CCOC)[C@@H]1CCS(=O)(=O)C1 1740621011 ZIBDLFUDTUZOGU-CLOONOSVSA-N 497.621 2.216 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCCCN1CCC)[C@@H]1CCS(=O)(=O)C1 1740626093 JMNRKDWOJDVFTN-HBMCJLEFSA-N 463.648 2.411 30 10 JEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](C)CNC(=O)OC(C)(C)C 1740636876 HBRAUUHIYFLZCH-GOSISDBHSA-N 499.641 2.472 30 10 JEEE C#CCN(CC#CC)c1nnc(Cc2ccncc2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1740654118 DMOGIQPLWZQEDL-HXUWFJFHSA-N 460.504 2.380 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1740704829 YSRCVSJLYBAKTJ-OAQYLSRUSA-N 473.581 2.041 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2F)n1C[C@@]1(O)CCS(=O)(=O)C1 1740727808 ANZLSAAEPSVZTR-UXHICEINSA-N 452.939 2.279 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1740752085 SKQDUTVJJCPHEA-GGPKGHCWSA-N 488.614 2.310 30 10 JEEE C=CCCCCn1c(-c2cnccn2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1740861618 SIQXNXFERYWRCI-DENIHFKCSA-N 452.607 2.470 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(c2cccnn2)CC1 1740992564 JEVBRMBFORNHSW-UHFFFAOYSA-N 488.017 2.240 30 10 JEEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cnn(Cc2ccccc2)c1 1741801771 CIUYXAJFZWLHBG-YLJYHZDGSA-N 453.572 2.212 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H](OC)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1748812761 ZRZZSLWUQRBDIH-TZIWHRDSSA-N 453.568 2.298 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCCOC)[C@H]1CCS(=O)(=O)C1 1748825457 ZIKYPRAGERBZKP-OALUTQOASA-N 495.646 2.403 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCN1CCOC(C)(C)C1 1748922737 KEKBOUCSJUCBTA-UHFFFAOYSA-N 463.586 2.245 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2Cl)n1CC1(O)CCS(=O)(=O)CC1 1748953545 PBKYIJOOMHYPDX-UHFFFAOYSA-N 487.409 2.278 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H](CC)NC(=O)OC(C)(C)C)CC1 1749000901 DAOQNOIJRWFSNI-ZCNNSNEGSA-N 476.622 2.061 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CCN(C)C1 1749080858 VWNMXRJBGKUWIG-GLYQVZKVSA-N 458.607 2.409 30 10 JEEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2ccnc(C)n2)CC1 1749235575 USWRTSDYKZZMJA-UHFFFAOYSA-N 482.614 2.287 30 10 JEEE C=CCCOCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](COC)C1 1749457533 MRYPWKSUKMCVIR-RBUKOAKNSA-N 481.594 2.031 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(Cl)cc1)C1CC1 1749518953 BNCKCKVZUCLXOY-SFHVURJKSA-N 451.980 2.468 30 10 JEEE C=CCNC(=O)Cn1c(N2CCc3c(F)ccc(F)c3C2)nnc1[C@@]1(OC(C)C)CCOC1 1749682200 PKDYLKUNEKNAKS-HSZRJFAPSA-N 461.513 2.462 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2CC)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1749739600 HKHHHIGURDSWHB-HSZRJFAPSA-N 489.598 2.051 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCOC2)n1CC1CCS(=O)(=O)CC1 1749806003 DOVWJSQGDMNBFJ-OAQYLSRUSA-N 473.599 2.131 30 10 JEEE C[C@H]1CCCN(CCn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@](C)(C(N)=O)C2)C1 1752182215 CFAHBOYHIXNHLR-UUOWRZLLSA-N 451.575 2.162 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1CCCN(C(C)=O)C1 1760100729 DOLVOCICAZHOEO-APWZRJJASA-N 471.631 2.263 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1CCN(C(=O)OC)CC1 1760103027 XCKGPYCQSQMCAV-INIZCTEOSA-N 459.572 2.285 30 10 JEEE C#CCN(c1nnc(-c2ccc3ccccc3n2)n1C[C@@H](C)COC)[C@@H]1CCS(=O)(=O)C1 1760183972 FROJWWQMHDGFAI-IEBWSBKVSA-N 453.568 2.403 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(=O)N(C)C1CCCCC1 1760217036 MJFIASVOICOPJR-UHFFFAOYSA-N 495.653 2.492 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCCCCC2)nc1 1760232623 BMRSFOYDSKYMDN-HXUWFJFHSA-N 456.616 2.463 30 10 JEEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCNC(=O)OC(C)(C)C 1760250285 XYXOJLQDEJWEKQ-UHFFFAOYSA-N 484.605 2.063 30 10 JEEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2CC2(C(=O)N(C)C)CCCC2)CC1 1760262812 BWPMOYNAWHOQSG-UHFFFAOYSA-N 478.641 2.476 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2CCCN2CCCO[C@H](C)C2)CC1 1760264515 QWEQMRDEKMUCHY-JOCHJYFZSA-N 482.629 2.122 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1760266623 GNLGCHSSKRGAIR-VQTJNVASSA-N 457.962 2.104 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H](C)CC(N)=O 1760322325 QZMPXJIAJRCZRP-DMUMMCEESA-N 492.621 2.268 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(NC(C)=O)CC1 1760326065 TZFMIVSVEAJKGD-UTKZUKDTSA-N 472.615 2.356 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccccn2)n1CCC[C@@H]1NC(=O)NC1=O 1760479585 UHDSWXFSPKBRCT-FQEVSTJZSA-N 456.510 2.393 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(Cc2csc(CC)n2)CC1 1760517575 QTIFGRKQCXXDQH-UHFFFAOYSA-N 496.597 2.497 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CCOc2ccc(S(C)(=O)=O)cc2)C1 1760541516 DEEURIHMXWECKT-UYAOXDASSA-N 476.599 2.436 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N1CCN(CC)[C@@H](C)C1 1760550703 GPFWRJCHPBDROL-HNNXBMFYSA-N 485.452 2.177 30 10 JEEE CC(C)CN1CCC[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@](C)(C#N)C2)C1 1761114767 CGMCFOOSIBHFMC-DXIQSLLYSA-N 465.668 2.386 30 10 JEEE CCCCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1CC1(O)CCS(=O)(=O)CC1 1764098340 DJNLIWAWBWOWJG-UHFFFAOYSA-N 461.588 2.009 30 10 JEEE CCOCc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1Cc1ccc(C)n(C)c1=O 1766413745 DRUVNXLZBUPAML-UHFFFAOYSA-N 461.570 2.064 30 10 JEEE COC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCn2cc(Br)cn2)CCO1 1770943412 GEBPOSSFWFQSPZ-GOSISDBHSA-N 472.347 2.328 30 10 JEEE CCCCCCCCNC(=O)[C@H](Cc1ccc(OC(C)=O)cc1)NC(=O)CCCNS(C)(=O)=O 1860928558 FPSKILNNPJBLSM-QFIPXVFZSA-N 497.658 2.445 30 10 JEEE O=C(C1=C(O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccc(O)cc1)c1ccc2c(c1)OCO2 1862625289 CNMRMENYYJRQRL-OAQYLSRUSA-N 452.463 2.031 30 10 JEEE COc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2CCNC(C)=O)cc1O 1862642325 KOWOCTLUFWBSNX-HXUWFJFHSA-N 458.442 2.263 30 10 JEEE COc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2CCCNC=O)cc1O 1862642850 PESROKKALYXGCZ-HXUWFJFHSA-N 458.442 2.263 30 10 JEEE COc1cc(C(=O)NCC(=O)Nc2c(C#N)cnn2-c2ccccc2F)cc(OC)c1OC 1865873241 YXCSAOSXWRGHOB-UHFFFAOYSA-N 453.430 2.277 30 10 JEEE CC[C@@H](NC(=O)CCS(=O)(=O)c1ccc(NC(C)=O)cc1)C(=O)Nc1ccccc1C#N 1866808780 DFXZKKNTCBLYCV-LJQANCHMSA-N 456.524 2.214 30 10 JEEE C=CCn1cc(OCC(=O)Nc2ccc3c(c2)OCO3)c(=O)cc1CN(CCO)CCCC 1870434176 BMWSCKFADPOKFL-UHFFFAOYSA-N 457.527 2.375 30 10 JEEE C=CCN=c1nc(N2CCN(c3ccccc3F)CC2)[nH]c(=Nc2ccc(OC)c([N+](=O)[O-])c2)[nH]1 1871706598 JKKZHNDQQNTLPT-UHFFFAOYSA-N 480.504 2.439 30 10 JEEE NC(=O)CSc1nnc([C@H]2CC(=O)N(Cc3ccccc3)C2)n1/N=C/c1cccc([N+](=O)[O-])c1 1874209264 ABQBGIOUVHVAOO-PKOLSWDWSA-N 479.522 2.162 30 10 JEEE O=C1C[C@H](c2nnc(S)n2/N=C/c2cc([N+](=O)[O-])c(O)cc2O)CN1Cc1ccccc1 1874569504 AAPYZBYIIVPCMR-SLSPDHCBSA-N 454.468 2.285 30 10 JEEE COc1c(F)c(F)c(C(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)c(F)c1F 1890710230 GTINNILKMGXMGQ-UHFFFAOYSA-N 457.468 2.124 30 10 JEEE CC(C)(C)OC(=O)NCCSCC(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2248413445 WXOPYEPOMHVNCR-UHFFFAOYSA-N 457.427 2.316 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCC(NC(=O)OCc3ccccc3)CC2)n1 2255653949 PXGSJRGNOYCOGQ-UHFFFAOYSA-N 468.363 2.250 30 10 JEEE C[C@@H](CNC(=O)c1nn(C)c(Cl)c1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)OC(C)(C)C 2255822734 OXCLONQPVZKOFM-LBPRGKRZSA-N 456.780 2.358 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(C)CCN(C)C(=O)OCc1ccccc1 2255832777 RGJHANGZMRXMHV-UHFFFAOYSA-N 470.379 2.368 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H](O)C[C@@H](NC(=O)OC(C)(C)C)C2)s1 2267110175 ZXVVMGMSROVEFW-HUUCEWRRSA-N 466.409 2.456 30 10 JEEE CS[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2267272127 XJUDWLUYALIMKZ-HOTGVXAUSA-N 463.409 2.462 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)c(F)c2)C1 2267352547 LNGKPHUBPAYCQV-AWEZNQCLSA-N 470.372 2.413 30 10 JEEE CC(C)(C)OC(=O)NC1(CNS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2F)CC1 2267355476 UEUAHMQOLZINIB-UHFFFAOYSA-N 470.372 2.461 30 10 JEEE C[C@@H]1CC[C@@H](NC(=O)C(F)(F)F)CN1S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2267711407 KRCGVVVKKCESLK-VXGBXAGGSA-N 482.355 2.267 30 10 JEEE CN(CCOCCNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(=O)OC(C)(C)C 2267714225 VVQQZDCWIYZXRK-UHFFFAOYSA-N 490.453 2.209 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1NC(=O)[C@@H](CO)CNC(=O)OC(C)(C)C 2268717617 LWFLOUGPWWLXAW-CQSZACIVSA-N 450.341 2.066 30 10 JEEE CC(C)(C)OC(=O)NC1(C(=O)Nc2ccc(Cl)c(B3OC(C)(C)C(C)(C)O3)n2)CC(O)C1 2268718670 ZEFNKYLFIHQJMP-UHFFFAOYSA-N 467.759 2.391 30 10 JEEE Cc1c(C(=O)N2C[C@H]3CCN(C(=O)OC(C)(C)C)[C@H]3C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281801977 IISAKIRDOVAWIY-CVEARBPZSA-N 460.384 2.109 30 10 JEEE Cn1ncc(C(=O)N2CCC[C@]23CCN(C(=O)OC(C)(C)C)C3)c1B1OC(C)(C)C(C)(C)O1 2281827649 YLDWRNDXCRBBKM-HSZRJFAPSA-N 460.384 2.335 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@@](O)(CNC(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2281945694 MYFRRBYAZRCRGO-XMMPIXPASA-N 460.380 2.478 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]3C[C@H]2[C@@H]1[C@@H]3NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2281991224 XLVGTJUESQSZGE-JQONLHTASA-N 458.368 2.083 30 10 JEEE CON(CCNC(=O)OC(C)(C)C)S(=O)(=O)c1c(F)cc(F)cc1B1OC(C)(C)C(C)(C)O1 2282494132 WVWWEKLSPCMHBF-UHFFFAOYSA-N 492.350 2.341 30 10 JEEE CN(C[C@@H]1CCCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)C1)C(=O)OC(C)(C)C 2282534838 XNOSYLKCVAVEDQ-INIZCTEOSA-N 462.400 2.438 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@@H]1C 2282581418 HRKOVCHIAWSGDG-HOTGVXAUSA-N 462.400 2.498 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CCC[C@H]2NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2282583841 PFLJPUOZQGHHGE-USXIJHARSA-N 460.384 2.474 30 10 JEEE Cc1nn(C)c(C(=O)N2C[C@@H](CNC(=O)OC(C)(C)C)C[C@H]2C)c1B1OC(C)(C)C(C)(C)O1 2282585426 LRZVENHEZCTITK-GDBMZVCRSA-N 462.400 2.403 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@]1(C)CO 2282593531 RVRQILZVWMVMEH-QFIPXVFZSA-N 481.424 2.195 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)CC12CCC2 2282678810 RFTBLNFPHZDROS-INIZCTEOSA-N 458.368 2.295 30 10 JEEE CC(C)(C)OC(=O)N1CC(C2CN(S(=O)(=O)c3ccccc3B3OC(C)(C)C(C)(C)O3)C2)C1 2282862154 ZENKJYQKNPLNCR-UHFFFAOYSA-N 478.420 2.473 30 10 JEEE Cc1nc(NC(=O)C[C@H]2COCCN2C(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2283950633 NEEVRIONZUMRIJ-HNNXBMFYSA-N 462.356 2.049 30 10 JEEE CC(C)(C)OC(=O)NC1CC(O)(C(=O)NCc2cc(B3OC(C)(C)C(C)(C)O3)ccc2F)C1 2284051469 OHZFWXCPSAOFLL-UHFFFAOYSA-N 464.343 2.159 30 10 JEEE CC(C)(C)OC(=O)NC1(C(=O)N2CCc3ccc(B4OC(C)(C)C(C)(C)O4)cc3C2)COC1 2284055082 NYJBHRZTNILDBG-UHFFFAOYSA-N 458.364 2.164 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)NC[C@@H]1COCCN1C(=O)OC(C)(C)C 2285198491 UKMZVNBHYQFPHZ-QGZVFWFLSA-N 461.368 2.055 30 10 JEEE CN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1)[C@@H]1CN(C(=O)OC(C)(C)C)CC12CC2 2287007585 CGHBPRSTCDUVLF-MRXNPFEDSA-N 460.384 2.191 30 10 JEEE COc1cc(OC)c2c(c1Cl)O[C@@]1(C(=O)C(=CNCc3nc(C)no3)C(=O)C[C@H]1C)C2=O 2297633430 CVSFOBMRIQXYSW-BTKVJGODSA-N 461.858 2.214 30 10 JEEE COC(=O)CSc1nnc([C@H]2CC(=O)N(Cc3ccccc3)C2)n1N=Cc1cccnc1 2325921266 CAPSLFFTVCWLCH-SFHVURJKSA-N 450.524 2.337 30 10 JEEE COC(=O)c1ccc(CSc2nnc(CNC(C)=O)n2N=Cc2cccc(OC)c2OC)o1 2330752510 HOULEPLTYNUYKD-UHFFFAOYSA-N 473.511 2.486 30 10 JEEE COc1nc(N2CCOCC23CN(C(=O)OC(C)(C)C)C3)ccc1B1OC(C)(C)C(C)(C)O1 2365345837 JJECJSJLILALND-UHFFFAOYSA-N 461.368 2.216 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CC(NC(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)C[C@H](C2)C1 2365516709 CXVAYZWEWFFQKT-GJZGRUSLSA-N 460.384 2.474 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](CNC(=O)c2ccsc2B2OC(C)(C)C(C)(C)O2)N2CC[C@H]1C2 2368742614 NORGPPUQCDJXDE-JKSUJKDBSA-N 477.436 2.471 30 10 JEEE CC(C)(C)OC(=O)N1CCN(c2ncc(Cl)cc2B2OC(C)(C)C(C)(C)O2)[C@H](CC(N)=O)C1 2369303518 NAAWJADYENDXHS-OAHLLOKOSA-N 480.802 2.335 30 10 JEEE CCOC(=O)/C=c1/s/c(=C/c2ccc(C#N)cc2)c(=O)n1CC(=O)Nc1cccc(C)c1C 100531580 DJTRBWDKNXWZJF-GLEFIBSWSA-N 461.543 2.209 30 10 JEEE COc1ncccc1CN1C(=O)[C@H](CC(=O)Nc2cnccn2)S/C1=N\CCc1ccccn1 730722166 DMYVHJHIYVCQBO-DFYKEDFYSA-N 477.550 2.347 30 10 JEEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)Sc1nnc(C[C@H]2CCS(=O)(=O)C2)o1 1248553194 HWGULPXNJJRDMK-HUUCEWRRSA-N 464.569 2.483 30 10 JEEE C#CCN1CCC[C@@H](NC(=O)N2CCC(N3[C@H]4CC[C@H]3CN(C(=O)OC(C)(C)C)C4)CC2)C1 1248681059 ATIRBGMFLHFCJJ-HJNYFJLDSA-N 459.635 2.342 30 10 JEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)C[C@@H](C)n2cc(Br)cn2)c1 1264809540 KMVRLZTUFWGLPI-MRXNPFEDSA-N 459.344 2.470 30 10 JEEE C#CCCCCn1c(N2CCN(CC(=O)N3CCCCCC3)CC2)nnc1[C@@]1(OCC)CCOC1 1286333787 BQGRIORWNWJFCI-AREMUKBSSA-N 486.661 2.258 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](c2cccc(C)c2)C1 1286350186 WVQKBNNNKNFGCU-SFTDATJTSA-N 457.600 2.327 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@H](C)c1nc(C)cs1)[C@H]1CCS(=O)(=O)C1 1286394861 XIBFROWRUOIVNT-LPHOPBHVSA-N 470.624 2.459 30 10 JEEE C#CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H](C)CC(N)=O 1286511905 FTUDTIZSSGPXEU-CVEARBPZSA-N 450.609 2.417 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2ccc(O)cc2C1 1286545855 CGAAPLZQSBKMRF-MDYRTPRTSA-N 461.588 2.138 30 10 JEEE C=C(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(Nc2cccnn2)CC1)c1ccccc1 1286614681 ANNHVLZDYCEBNA-GOSISDBHSA-N 482.614 2.473 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1cccs1)N(C)C)C1CC1 1286738437 UWEKVXVALWXRLR-ROUUACIJSA-N 480.660 2.130 30 10 JEEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@H](OCCC)CC1 1286786558 HCTGOGIDLNSBAK-SFHVURJKSA-N 489.646 2.326 30 10 JEEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1286790526 FURMMAVBOLFEON-QGZVFWFLSA-N 474.556 2.139 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C)O[C@H](c2ccccc2)C1 1286814101 JXIXXOIUYYWNHC-QUCCMNQESA-N 473.599 2.081 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 1286818859 QMMJNJLBYRJVDC-QGZVFWFLSA-N 462.620 2.253 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CCN(C(=O)C(C)C)CC1 1286823965 RTIXFRHTLSDXHK-UHFFFAOYSA-N 475.615 2.071 30 10 JEEE C=CCSCCn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1286832724 NSDOMVRHXZSMGZ-RBUKOAKNSA-N 485.676 2.070 30 10 JEEE C#CCN(c1nnc([C@@H](C)CC)n1CC1CN(C(=O)OC(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1300483993 NOHWIRHIIRQJHQ-FUHWJXTLSA-N 465.620 2.285 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1cccc(NC(=O)OC)c1)[C@@H]1CCS(=O)(=O)C1 1300486745 AJILWXTZKSPCSZ-LJQANCHMSA-N 480.550 2.193 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ccc(NC(=O)CCC)cc1)[C@H]1CCS(=O)(=O)C1 1300490634 AEQAFJXOIHKQOF-FQEVSTJZSA-N 493.593 2.149 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(COCCOC)cc2)CC1 1300700790 WPYFYUAGPSTSKR-HSZRJFAPSA-N 453.587 2.139 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCSCC(F)(F)F)CC1 1300733634 YZBLETGLQISPOZ-IRXDYDNUSA-N 489.564 2.263 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 1301497041 LZCLIHAIEJWDDZ-SFHVURJKSA-N 459.913 2.351 30 10 JEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](CN2CCCCCC2)C1 1301586296 JZUVHPUIQWMCTK-OAQYLSRUSA-N 492.690 2.094 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCN(Cc2cc(C)on2)CC1 1301587522 QHIOCQADFWTIKS-UHFFFAOYSA-N 488.589 2.227 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1C[C@@H]2OCO[C@@H]2C1 1301593779 UKAXYGZDRIARFZ-CALCHBBNSA-N 489.381 2.326 30 10 JEEE C=CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C2CC2)C(=O)C1 1301600572 CYWXPGZDDDNBTN-UHFFFAOYSA-N 461.613 2.079 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(C(=O)NC(C)C)n1C[C@H]1CCCN(C(C)=O)C1 1301772057 CGUKLLOBLYGQCR-QFIPXVFZSA-N 481.601 2.199 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1OCC(F)(F)F 1301951602 BSFQVIFOJOAXLS-KGLIPLIRSA-N 474.509 2.474 30 10 JEEE CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCCCC2)CC1 1305643019 GCISUIIJEVOXTG-NRFANRHFSA-N 478.645 2.339 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC[C@@H]1COCCO1 1358885825 RICRJCPYYWXEOJ-ZWKOTPCHSA-N 450.543 2.328 30 10 JEEE C#CCN(c1nnc(C(C)C)n1Cc1ccc(-n2ccnc2)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1358955374 KTJJPPDBNZPYED-GOSISDBHSA-N 456.547 2.401 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CCCCS1(=O)=O 1358983574 NPMFHSFNAZNRCR-CEXWTWQISA-N 475.615 2.089 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C(CC)CC)no1 1358994791 WNWDZPJNNXSMTP-OAQYLSRUSA-N 488.614 2.014 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@](C)(O)c1cccs1 1359019657 BZBYZBWAKRLXEZ-JOCHJYFZSA-N 474.608 2.404 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCN1CCN(C(C)=O)CC1 1359020759 PBNPYKOBIRLPFS-UHFFFAOYSA-N 466.630 2.493 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@]1(O)CCO[C@@H]1C 1359021572 TZCXHLPEEVOJNI-QVKFZJNVSA-N 479.375 2.342 30 10 JEEE C#CCN1CCN(c2nnc(CSc3ccccc3OC)n2CCCN2CCOCC2)CC1 1359039368 FXNMXHKRHAKJSZ-UHFFFAOYSA-N 470.643 2.057 30 10 JEEE C=C(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1359117178 JPNRFKJWSCCCNB-HSZRJFAPSA-N 485.976 2.252 30 10 JEEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(CC)Cc1nc(O)c2sccc2n1 1359143370 ZDJAUWKZWZMKSR-LLVKDONJSA-N 471.996 2.378 30 10 JEEE C=C(Cl)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1359144320 FHVOVIOQJTZZEJ-FOIQADDNSA-N 452.964 2.485 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCNC(=O)c2ccco2)C1 1359314747 HJGPQCUAFRKRCB-SFHVURJKSA-N 485.566 2.153 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(Cl)cc2)nnc1N1CCCN(CC)C(=O)C1 1359335223 DZJRCCBFLPVNTF-UHFFFAOYSA-N 482.006 2.170 30 10 JEEE CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1Cc1nnc2n1CCCCC2 1503237084 GITPCFVSFPCTCF-KRWDZBQOSA-N 482.614 2.442 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@H]1CCCN1S(C)(=O)=O 1507532122 GIFZCAFIDRFUII-FUHWJXTLSA-N 454.556 2.482 30 10 JEEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1507577714 UAFSLJPSJXHAEO-GOSISDBHSA-N 472.567 2.011 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1508073581 KPAKHAPBEOIEJQ-YJBOKZPZSA-N 487.992 2.414 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@H](COC)C1 1508091558 MILPHDNVBFFBOC-FQEVSTJZSA-N 457.575 2.308 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCN(c2ccnc(C)n2)CC1 1508144377 PTZNZXHWJJSMKM-UHFFFAOYSA-N 485.589 2.034 30 10 JEEE COc1ccc(C(=O)N2CCN(C(=O)c3cc(C#N)cc(N(C)C)c3)CC2)c(OC)c1OC 1515803650 CHHYMZVBCJYCIT-UHFFFAOYSA-N 452.511 2.248 30 10 JEEE CCO[C@]1(c2nnc(N(C)[C@@H](C)CC#N)n2Cc2ccccc2CN2CC[C@H](O)C2)CCOC1 1516127484 CDNVDEDQCNZCDF-KIVTUJJHSA-N 468.602 2.283 30 10 JEEE COCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ncccc2F)CC1 1519109825 HBSLMWPIODYMHL-UHFFFAOYSA-N 464.549 2.256 30 10 JEEE N#CCC1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1521143106 DGORRNAQFDAVRQ-FQEVSTJZSA-N 467.954 2.417 30 10 JEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1ccc(COC)o1 1539071679 CVJIKXIZCWZLME-CTNGQTDRSA-N 491.614 2.495 30 10 JEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(NC(C)=O)nc1 1539178278 GKRRFTUXGDCKEY-GOSISDBHSA-N 469.546 2.058 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc2c(cc1OC)C[C@@H](C)O2 1539323148 DDHVBHPYOCXGLZ-QZTJIDSGSA-N 468.579 2.023 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC(F)(F)F)cc1 1539368892 CVLMQTQMWUKXIJ-QGZVFWFLSA-N 487.504 2.017 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(CC)CC)n1C[C@]1(C)CN(C)C1=O 1539384554 KDTGNAYDSJOOPH-DEOSSOPVSA-N 454.550 2.454 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC2CCN(CCC)CC2)CC1 1539469989 WPINOTRVKSPXBV-SANMLTNESA-N 486.661 2.018 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3CC)n2C[C@H]2CCOC[C@H]2OC)CC1 1539489183 RQOPOAIVUKYILA-ISKFKSNPSA-N 495.624 2.437 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@H](CNC(C)=O)C1 1539624992 XQOFAJVFFYSLPL-XQFWAAQXSA-N 485.585 2.285 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)C[C@H](C)C(=O)NC 1539627105 HXRIVDAMAQWBQC-SCTDSRPQSA-N 489.646 2.038 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)NC)CC1 1539760032 RUNJUSINHGWZIS-SFHVURJKSA-N 477.610 2.404 30 10 JEEE C=CCCCn1c(N2CCN(S(=O)(=O)c3csc(C)n3)CC2)nnc1[C@]1(OCC)CCOC1 1540021546 TYKHLPYAKPEYDQ-NRFANRHFSA-N 496.659 2.172 30 10 JEEE C=CCCOCCn1c(COc2ccccc2F)nnc1N1CCc2nn(C)c(=O)cc2C1 1540043035 VGOZORNZYNBUFI-UHFFFAOYSA-N 454.506 2.245 30 10 JEEE C=CCN(c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCOC[C@@H]1C)C1CC1 1540108052 GRVLFJWCFXTGJS-ICSRJNTNSA-N 476.622 2.462 30 10 JEEE C=CCn1c(N2CCCN(S(=O)(=O)c3ccccc3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1540861006 YAMGUPZLMJWUEI-QHCPKHFHSA-N 475.615 2.406 30 10 JEEE C=CCNC(=O)Cn1c(N2CCN(CCOc3cccc(OC)c3)CC2)nnc1C(C)(C)C 1540876219 KRQUMMKHDIPXCU-UHFFFAOYSA-N 456.591 2.087 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2C[C@@H](C)O[C@@H](COC)C2)cc1 1540877556 ZAJDERWZEYPNOX-WIYYLYMNSA-N 455.559 2.367 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1Cc1ccc(C(C)(C)O)cc1 1541925362 BCFVLTOQNCCHAC-MRXNPFEDSA-N 460.604 2.294 30 10 JEEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CC(Cc2ccccc2OC(F)(F)F)C1 1545364086 BMAIVJACZZDABR-UHFFFAOYSA-N 453.442 2.325 30 10 JEEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCOC[C@@H]2C)C1 1547779540 FATPXXNJQBIPGJ-PWIZWCRZSA-N 458.588 2.007 30 10 JEEE CCS(=O)(=O)N(C)CCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)C[C@H](C)C#N 1548325390 ASHVDHBFZATVJI-CYBMUJFWSA-N 472.413 2.303 30 10 JEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(CC(=O)Nc2ccccc2OC)CC1 1566725658 BLCOIBWOPCZMHW-LJQANCHMSA-N 458.559 2.085 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc(Br)s1 1587562771 STTGFHCWVRMCEG-RYUDHWBXSA-N 460.423 2.413 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCc1cccc(C(N)=O)c1 1587569521 YOUVXSMZULJAQM-MRXNPFEDSA-N 479.610 2.346 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCNC(=O)c1cccc(O)c1 1587615543 WDILMCFZTVAHBZ-KRWDZBQOSA-N 495.609 2.222 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CCc1c(F)cccc1F)[C@H]1CCS(=O)(=O)C1 1588065392 YBHBUUWROGTRRY-SFHVURJKSA-N 471.533 2.412 30 10 JEEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1CC1([S@](C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1588069356 MFNGONQXWDNLKU-INZIPBBXSA-N 497.042 2.048 30 10 JEEE C#CCN(c1nnc(COCC)n1Cc1cn2cc(Cl)cc(Cl)c2n1)[C@@H]1CCS(=O)(=O)C1 1588073683 BDKKVISDAUEQHM-MRXNPFEDSA-N 497.408 2.444 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1ccccc1F 1589216442 OMWZFOMWEDOJPL-NFBKMPQASA-N 475.590 2.375 30 10 JEEE C=C(Cl)Cn1c(N2CCN(c3ncc(F)cn3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1593932573 KQGFLBWPTBFAHM-FQEVSTJZSA-N 451.934 2.327 30 10 JEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1OC(F)F)C1CC1 1595058664 SSKXINPZKNANSP-GOSISDBHSA-N 483.541 2.416 30 10 JEEE C=CCOc1ccccc1Cn1c(-c2ccccn2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1595648769 IDAWKDPNUAGPPR-SFHVURJKSA-N 468.583 2.423 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2CCS(=O)(=O)N(C)C)C1 1595715240 UHCXBVLWUZCROD-GOSISDBHSA-N 472.571 2.273 30 10 JEEE CNC(=O)CCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCN(C(C)C)C1 1618778846 FDECISODOBNUNG-FQEVSTJZSA-N 453.591 2.421 30 10 JEEE Cc1cc(C)n(-c2ccc(CCNC(=O)[C@@H](C)NS(=O)(=O)c3ccc(C#N)cc3)cc2)n1 1624543212 ACXUEMXBDXHZNM-GOSISDBHSA-N 451.552 2.387 30 10 JEEE Cc1cc(C(=O)N2CCN(c3cnccc3C#N)CC2)ccc1NS(=O)(=O)C(F)(F)F 1637908582 BEVOJTOZVUXSOO-UHFFFAOYSA-N 453.446 2.486 30 10 JEEE C#Cc1cccc(NC(=O)NC(=O)CN(C)Cc2cccc(N3C[C@H](C)CS3(=O)=O)c2)c1 1653449469 ULGAVHIJONBXKK-KRWDZBQOSA-N 454.552 2.234 30 10 JEEE Cn1cc([C@@H]2[C@@H](CNC(=O)N3CC[C@H](Oc4ccc(C#N)cn4)C3)CC(=O)N2C(C)(C)C)cn1 1674382953 DCYJFWPNSSBWRM-LZNRXBQRSA-N 465.558 2.238 30 10 JEEE C[C@H](NC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)c1cccc(S(=O)(=O)N(C)C)c1 1678210360 CSMQNGOIADBJJK-RXVVDRJESA-N 455.584 2.417 30 10 JEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@]2(CCc3ccccc32)C1 1689876500 BIQXJWORPHMCAL-JPYJTQIMSA-N 457.600 2.370 30 10 JEEE C#CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](CNC(C)=O)C1 1689906611 PHMFZVBQEWIHHB-UXHICEINSA-N 474.606 2.495 30 10 JEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2ccc(F)c(F)c2)C1 1689929709 CMBRQLUSTPIVLS-LPHOPBHVSA-N 450.511 2.450 30 10 JEEE C#CCCCn1c(COc2ccccc2OC)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1689939778 CFXOJCBWDAOYJC-IFMALSPDSA-N 480.613 2.268 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H](OC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1689978315 SAPXSDNEPGTUGJ-NHCUHLMSSA-N 487.626 2.445 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1CC(F)(F)C1(OC)CCOCC1)[C@H]1CCS(=O)(=O)C1 1689980172 NCYXJVBZGIQHAC-INIZCTEOSA-N 474.574 2.033 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1OCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1689983570 DBBYMAKJZYGHAE-RXVVDRJESA-N 488.610 2.404 30 10 JEEE C#CCN(c1nnc(-c2ccccc2F)n1CCCN1CCCCC1=O)[C@H]1CCS(=O)(=O)C1 1689985921 FKCYWAFTWCZWOZ-SFHVURJKSA-N 473.574 2.114 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](OC(C)C)c2ccccc2OC)CC1 1690108975 BHDWTFVMEVRBKT-QHCPKHFHSA-N 480.613 2.444 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2CC[C@H]2CCCCO2)CC1 1690136860 KONHTYRDXPOQMA-HXUWFJFHSA-N 458.607 2.122 30 10 JEEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)c2ccccn2)CC1 1690234369 BWAITZUZUZUBII-WMZOPIPTSA-N 491.390 2.268 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)C[C@@H](C)C1 1690244956 BCIPIHHGJOTFLJ-IVDHNXQLSA-N 467.636 2.075 30 10 JEEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1690294569 OIFAIWFMBCOULY-LJQANCHMSA-N 485.658 2.369 30 10 JEEE C=C(Cn1c(N(C)CC(=O)N2CCOCC2)nnc1[C@@]1(OC(C)C)CCOC1)c1ccccc1 1690325834 JGDPXYJVJSPLPH-RUZDIDTESA-N 469.586 2.327 30 10 JEEE C=CC1CCN(c2nnc(-c3cccn3C)n2CCS(=O)(=O)N2CCSCC2)CC1 1690408341 FVXCZLYBCYIBCX-UHFFFAOYSA-N 450.634 2.065 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1690432519 FYLWBIOVYHXVHP-QZTJIDSGSA-N 493.634 2.289 30 10 JEEE CC(C)(C)NC(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1691206315 BYWRSXHMEWKWIS-OAQYLSRUSA-N 492.628 2.118 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCOC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1705561027 MVKVAIGBZRHEQA-YQQAZPJKSA-N 496.431 2.335 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@]1(N(C)C)CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1705564846 QSBOVTHVTLHMRI-NMMYMHLASA-N 470.643 2.477 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CC(C)(C)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1705564869 DSRHWHIHDOJIHI-VQTJNVASSA-N 463.648 2.063 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1705598523 LAAQHIJKWQKBMJ-WOJBJXKFSA-N 489.642 2.290 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2Cc2ccc(N3CCO[C@H](C)C3)nc2)CC1 1705644632 XUEREPUUDRNQHC-LJQANCHMSA-N 465.602 2.036 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1705700312 RUDLZJZZRBJEMU-JFYQVNSESA-N 474.650 2.190 30 10 JEEE C=C(C)COCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1705735289 NDHAZIAFUHTYQB-FQEVSTJZSA-N 489.646 2.058 30 10 JEEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(-c2n[nH]c(C)n2)cc1 1705880237 YYNOCYCYMCZNSO-UHFFFAOYSA-N 450.547 2.295 30 10 JEEE C=CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1705888642 KKTSANRBRNMIAA-PXNSSMCTSA-N 454.575 2.137 30 10 JEEE COCCn1cc(Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2CC[C@@](F)(C#N)C2)cn1 1712464970 BQCPJYODQIGQCS-JOCHJYFZSA-N 455.494 2.295 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2cccc(C)n2)c1 1722309825 QALJZVCLJCSYPG-FQEVSTJZSA-N 492.605 2.183 30 10 JEEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](Cn2cccn2)C1 1722333241 UGKYWBUNZGDGML-PMACEKPBSA-N 485.589 2.102 30 10 JEEE C#CCCCn1c(COc2ccc(OC)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1722340096 NBYNBWRNKWKKTE-NRFANRHFSA-N 453.543 2.107 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCN(CC)C1CC1)[C@H]1CCS(=O)(=O)C1 1722358253 FIHACTRTELADTE-QFIPXVFZSA-N 498.653 2.258 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CC1(C)CCCC1)[C@@H]1CCS(=O)(=O)C1 1722365413 NVKKFTHDEFEBOY-GCJKJVERSA-N 450.605 2.137 30 10 JEEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1ccccc1-n1nc(C)cc1C 1722426755 GTSQLYOGEPBAQX-UHFFFAOYSA-N 461.570 2.337 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1722494251 ODPSBMDPMLYMIA-BBWFWOEESA-N 458.529 2.470 30 10 JEEE C=C(C)CN(CC)c1nnc(Cc2cn3ccccc3n2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1722515503 SPHBATFIUYTRMM-SFHVURJKSA-N 457.604 2.201 30 10 JEEE CCCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@](C)(C#N)C2)cn1 1728217297 BJWSTZMMMBMTIO-IIBYNOLFSA-N 461.592 2.250 30 10 JEEE COCc1nc(Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CCO[C@@H](C#N)C2)cs1 1730533685 CYMLZNDWPZVODV-KRWDZBQOSA-N 487.973 2.241 30 10 JEEE C#CCCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@@H](C(=O)OC)C1 1740568170 SWXKMVISQRCUJM-QGZVFWFLSA-N 458.588 2.349 30 10 JEEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1740583766 YUYPGSBMLVBRCA-UHFFFAOYSA-N 476.423 2.440 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1CC(C)(C)CN(C)C)[C@@H]1CCS(=O)(=O)C1 1740618179 DEVHTTFOAMFYTH-LJQANCHMSA-N 489.642 2.177 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1ccc(OCC(F)(F)F)nc1)[C@H]1CCS(=O)(=O)C1 1740621897 PXOMKWSVSRYLGI-INIZCTEOSA-N 494.499 2.284 30 10 JEEE C#CCN(c1nnc(COc2ccccc2CC)n1CC(C)(C)OC)[C@@H]1CCS(=O)(=O)C1 1740628143 OACUNSHSVUAXRT-LJQANCHMSA-N 460.600 2.471 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(OCC)c(OC)c2)CC1 1740703991 FFGMAOZHEJMBMN-UHFFFAOYSA-N 477.569 2.100 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 1740749605 AFMLBFXLLYMIQW-FYYLOGMGSA-N 480.613 2.289 30 10 JEEE C=C(C)COCCn1c(N2CCN3C(=O)N(C)C[C@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740799631 QMMLSHUFFHFGKH-OTWHNJEPSA-N 489.621 2.198 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCN(C(=O)NC)CC1 1740952212 XJZLTGHUBSQYHT-KRWDZBQOSA-N 490.008 2.452 30 10 JEEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1740999944 JBTPDRNMNOJSED-UHFFFAOYSA-N 470.647 2.225 30 10 JEEE CC(C)CCN(CCC#N)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(O)c1 1741517565 HUAUNRKLWWGEQJ-FQEVSTJZSA-N 476.603 2.131 30 10 JEEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2N(C)CCCC2(C)C)C1 1746536659 GUUBFBYUQJLJPL-RTWAWAEBSA-N 485.658 2.455 30 10 JEEE CNC(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@](C)(O)c2ccco2)C1 1748188381 BGBHRLAWQTXSCM-MHECFPHRSA-N 464.526 2.192 30 10 JEEE C#CCCCCn1c(N2CCCN(Cc3cnn(C)c3)CC2)nnc1[C@]1(OCC)CCOC1 1748729841 CJCNBWPDIWFRIS-DEOSSOPVSA-N 455.607 2.180 30 10 JEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1COc2ccccc2O1 1748789439 JTVZEFPASCYBSV-ZWKOTPCHSA-N 469.542 2.496 30 10 JEEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(C)cc1F)[C@@H]1CCS(=O)(=O)C1 1748804756 KONKJPKBOOVBGT-HYBUGGRVSA-N 490.601 2.441 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@@H](CCC)OC)[C@H]1CCS(=O)(=O)C1 1748819691 RPCNYHBFYJSWRT-ZWKOTPCHSA-N 451.618 2.076 30 10 JEEE C#CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCC)[C@@H]1CCS(=O)(=O)C1 1748824357 ONZOXMIEZOPORS-FGTMMUONSA-N 465.620 2.476 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCO[C@H](C)C1 1748965660 UQRBNYCWRWFUGQ-AABGKKOBSA-N 477.606 2.488 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@](C)(O)c2ccsc2)CC1 1748979210 XQPAGYAMKNAIML-DHIUTWEWSA-N 459.616 2.043 30 10 JEEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1749024209 JILDWSXLVRWGMG-LJQANCHMSA-N 499.666 2.289 30 10 JEEE COc1ccccc1Cc1nnc(N2CCO[C@H](C#N)C2)n1CCCN1C[C@H](C)O[C@H](C)C1 1749043019 GGEIBGSKGRJRET-SVFBPWRDSA-N 454.575 2.106 30 10 JEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCCN(C(=O)c2cccc(C)c2)CC1 1749044621 SUOHCCWMOCKKSN-UHFFFAOYSA-N 480.638 2.428 30 10 JEEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1749115654 UPBWUPGEOAPIJX-BZSNNMDCSA-N 481.395 2.321 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)OC)CC1 1749137243 XDCPTQAUZABCEV-APWZRJJASA-N 474.587 2.139 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CC(F)(F)CO1 1749591261 OZTJZIUEBLZWTN-NVXWUHKLSA-N 456.515 2.433 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1749652777 SEDJPHIEAMDXQB-OFVILXPXSA-N 452.603 2.423 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(Cc1ccco1)Cc1cccs1 1749669426 KQNVRAHRVLAVAY-INIZCTEOSA-N 475.596 2.344 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1749740319 UKVLOWZXNOAVSV-VGOFRKELSA-N 497.017 2.496 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1CCCN1CCCCCC1=O 1751189947 BLNYRCXJCJUGJU-SFHVURJKSA-N 487.630 2.189 30 10 JEEE C#CCN(c1nnc(C(C)C)n1CCCn1cc(Br)cn1)[C@@H]1CCS(=O)(=O)C1 1760182089 GKKYPPOIMZTQBO-MRXNPFEDSA-N 469.409 2.078 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccccc1OC(C)C)[C@H]1CCS(=O)(=O)C1 1760190279 VDKXZOYBUFJSTI-FQEVSTJZSA-N 468.583 2.141 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](c1cccs1)N1CCCC1 1760209429 COEARUDIXNIWHH-MOPGFXCFSA-N 474.656 2.250 30 10 JEEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1OCCC1(C)C 1760247651 JTNSOFSBNWCSIP-SFHVURJKSA-N 460.604 2.139 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccccc2F)nnc1N1CCN(CC(=O)NCC)CC1 1760323503 CXZFLECGSMBNCU-GBXCKJPGSA-N 470.593 2.247 30 10 JEEE C=C(C)COCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1760355452 LDDMMMMSRWDSAN-QFIPXVFZSA-N 465.558 2.065 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCOC2)n1CC1(O)CCS(=O)(=O)CC1 1760484997 PLXJTHCQAWKOHR-LJQANCHMSA-N 478.590 2.444 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(Cc2cc(F)ccc2OC)CC1 1760520288 JBOHJINWKHKCHG-UHFFFAOYSA-N 465.533 2.112 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCC(C(=O)N2CCCC2)CC1 1760524664 FTBJZMNLDZZAOG-UHFFFAOYSA-N 450.587 2.318 30 10 JEEE CCCc1nc(C)c(Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3ccc(C#N)cn3)CC2)o1 1763927720 BXIKGFAHKLROPB-UHFFFAOYSA-N 477.573 2.307 30 10 JEEE CCCn1nc(-c2nnc(N(C)C[C@H](C)C#N)n2CC2(O)CCOCC2)c2ccccc2c1=O 1764489342 GMLCKLXKWXWTCY-QGZVFWFLSA-N 465.558 2.202 30 10 JEEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](OC)[C@@H](C)CC)C1 1765671450 FDYWOQXLUINSCO-DBVUQKKJSA-N 460.604 2.396 30 10 JEEE CN(CC(=O)N1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1CC(C)(C)CN1CCCC1 1768586185 CDAVFIFUNZPVFN-UHFFFAOYSA-N 465.602 2.234 30 10 JEEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1CCCN1CCCO[C@@H](C)C1 1769126911 DVNADOKIFSIYGG-MOPGFXCFSA-N 453.591 2.136 30 10 JEEE CN(C)C(=O)C1=Cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2[N@+]1([O-])C1CCCC1 1848439641 XOAHSLTUBMCUQZ-HKBQPEDESA-N 450.547 2.215 30 10 JEEE C=CCNC(=O)[C@H]1C[C@H](O)CN1C(=O)c1ccc2nc(Cc3ccc(OC)c(OC)c3)[nH]c2c1 1860974210 ZOPVENBZOWKMAO-FXAWDEMLSA-N 464.522 2.049 30 10 JEEE CCOc1cc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2CCCNC=O)ccc1O 1862758953 IJACINNOKCNYJW-FQEVSTJZSA-N 469.450 2.414 30 10 JEEE Cc1cccc(Cn2nnc(C#N)c2NC(=O)CCCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1 1870110848 LEQFCLTXHNWEFK-UHFFFAOYSA-N 473.449 2.430 30 10 JEEE N#Cc1ccc(COc2cn(CCOCCO)c(CN3CCN(c4ccccn4)CC3)cc2=O)cc1 1870349811 DYYIJMFSYNUAFP-UHFFFAOYSA-N 489.576 2.025 30 10 JEEE CCCCCCCCn1cc(OCC(=O)N2CCOCC2)c(=O)cc1CN1CCN(C(C)=O)CC1 1870582071 QAMDJOVXHOOZKD-UHFFFAOYSA-N 490.645 2.111 30 10 JEEE COC(=O)CSc1nnc([C@H]2CC(=O)N(Cc3ccccc3)C2)n1/N=C/c1ccccn1 1874211592 SRRWYSMISOXPST-KZKMUKRCSA-N 450.524 2.337 30 10 JEEE CC(C)N1C[C@H](c2nnc(SCC(=O)Nc3nccs3)n2/N=C/c2cccnc2)CC1=O 1874338791 YIGGVGAZSYBBDD-GQLBNTDBSA-N 470.584 2.467 30 10 JEEE COC(=O)c1ccc(/C=N/n2c(CNC(C)=O)nnc2SCC(=O)Nc2ccccc2)cc1 1874431370 QKRDHOVMMMTVOA-WYMPLXKRSA-N 466.523 2.314 30 10 JEEE CC(C)N1CCN(CC#CCOC2CCN(S(=O)(=O)CCCOc3ccccc3)CC2)CC1 1890725268 RYPKSFOKNAULJQ-UHFFFAOYSA-N 477.671 2.296 30 10 JEEE CC1(C)OB(C2[C@H]3CN(S(=O)(=O)C[C@@](C)(F)CN4C(=O)c5ccccc5C4=O)C[C@H]23)OC1(C)C 2046025336 IMHLKAUZEQGVMS-QQMNAOGKSA-N 492.378 2.365 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC(=CB2OC(C)(C)C(C)(C)O2)CC1 2141246910 DNGLKFCIWYEHPW-INIZCTEOSA-N 451.373 2.325 30 10 JEEE Cc1cnc(OC[C@@H]2CCS(=O)(=O)N2C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2232306723 LEZRMFJQHBLRJW-HNNXBMFYSA-N 468.381 2.407 30 10 JEEE CN(CCN(C)S(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2255752812 MAWYEVLHCOKFRO-UHFFFAOYSA-N 454.398 2.473 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H]1C(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)cs1 2256615098 RGUZEQKWOGAXGP-GOEBONIOSA-N 452.382 2.034 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(CNC(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)s1 2256668742 FNXOYDRQPCCAFT-OAHLLOKOSA-N 454.398 2.248 30 10 JEEE C[C@@H](O)CN(CCNC(=O)OC(C)(C)C)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2257643340 RZDKJQMCFZADQA-CQSZACIVSA-N 454.398 2.395 30 10 JEEE CCN(C[C@@H](C)NC(=O)OC(C)(C)C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nn(C)c1C 2267139615 IYYUNZNTVVFSKL-CQSZACIVSA-N 450.389 2.403 30 10 JEEE CC(C)(C)OC(=O)NCCOCCNC(=O)c1c(F)cccc1B1OC(C)(C)C(C)(C)O1 2267445690 HWKAZOUALGQRJQ-UHFFFAOYSA-N 452.332 2.396 30 10 JEEE CCc1nn(C)c(C(=O)NCC2CN(C(=O)OCc3ccccc3)C2)c1B1OC(C)(C)C(C)(C)O1 2267505651 LRSRVLDHMOYILP-UHFFFAOYSA-N 482.390 2.280 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(C)C 2267529441 LPXGFNOMQYXWHU-OAHLLOKOSA-N 450.389 2.307 30 10 JEEE CC1(C)OB(c2nccnc2C(=O)N[C@H](CNC(=O)OCc2ccccc2)C(F)(F)F)OC1(C)C 2267873080 NNPBWSQOFSUZMK-OAHLLOKOSA-N 494.279 2.363 30 10 JEEE C[C@@H](C(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)cs1)N1CC(NC(=O)OC(C)(C)C)C1 2268710899 JQSVWIURWGFYNT-AWEZNQCLSA-N 465.425 2.261 30 10 JEEE COCC[C@H](CNC(=O)c1nccc(C)c1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2282016365 XAXRXXVPPNGFGU-MRXNPFEDSA-N 463.384 2.349 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C[C@]12CCOC2 2282193907 SIPOFPRRKOUQHS-HJPURHCSSA-N 461.368 2.212 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N(CCNC(=O)OC(C)(C)C)OC 2282511679 NZUDEMYWGHFPKF-UHFFFAOYSA-N 486.396 2.071 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC1CC2(CCN2C(=O)OC(C)(C)C)C1 2282536459 CNBRYHHHNDMHIE-UHFFFAOYSA-N 460.384 2.239 30 10 JEEE Cn1cc(C(=O)NC[C@@]23CC[C@@H]2CN(C(=O)OC(C)(C)C)C3)nc1B1OC(C)(C)C(C)(C)O1 2282545192 HVHOKZGQHASUCO-IQMFZBJNSA-N 460.384 2.096 30 10 JEEE Cn1cc(C(=O)NC[C@H]2CC3(CC3)CN2C(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2282549939 RVAJMVSMABGDGC-OAHLLOKOSA-N 460.384 2.239 30 10 JEEE Cn1ncc(C(=O)N2[C@H]3CC[C@@H]2C[C@@H](NC(=O)OC(C)(C)C)C3)c1B1OC(C)(C)C(C)(C)O1 2282557499 WDRSMGUKEBQHLK-PHZGNYQRSA-N 460.384 2.380 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H](C)[C@H](CNC(=O)OC(C)(C)C)C1 2282582227 TYYMPLJPMSVZDR-HZPDHXFCSA-N 462.400 2.435 30 10 JEEE Cc1c(C(=O)N2CC[C@@]3(CCN3C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282592755 HPKPZGMQMYLUMO-HSZRJFAPSA-N 460.384 2.253 30 10 JEEE COCCN(CCNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1O)C(=O)OC(C)(C)C 2282822373 HXHKWERFBDDPMB-UHFFFAOYSA-N 464.368 2.305 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(C(=O)Nc3ccnc(B4OC(C)(C)C(C)(C)O4)c3)CO[C@H]1C2 2284062952 JSHYPGCTNVGLSY-SYJLOODJSA-N 459.352 2.392 30 10 JEEE CC(C)(C)OC(=O)NCCCOCCNC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2315698187 DIMHHTCFWBTTPH-UHFFFAOYSA-N 455.386 2.104 30 10 JEEE COc1ccc(N2C[C@H](c3nnc(SCCO)n3N=Cc3ccc(C(=O)O)cc3)CC2=O)cc1 2325882755 QLVVOJPUTAGUSK-QGZVFWFLSA-N 481.534 2.472 30 10 JEEE NC(=O)CSc1nnc(Cc2cccs2)n1N=Cc1cc2c(cc1[N+](=O)[O-])OCCO2 2330364437 CZLLVCDWZOMHKR-UHFFFAOYSA-N 460.497 2.069 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1C[C@@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2 2359278223 DGQOUYDUPWIQAQ-OWCLPIDISA-N 460.384 2.155 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2F)n1C 2362332472 NLFWLLIVMNAAOZ-CABCVRRESA-N 466.363 2.105 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC1(F)CCN(C(=O)OC(C)(C)C)CC1 2362349304 XFPYKBSZLNNEFS-UHFFFAOYSA-N 466.363 2.188 30 10 JEEE N#Cc1cccnc1N1CCCN(C(=O)C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)CC1 108856891 DTEQHOXRQOIGCJ-UHFFFAOYSA-N 499.501 2.365 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(COc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CC1 204866103 AWHFFUROXUFTMG-INIZCTEOSA-N 490.410 2.306 30 10 JEEE CCOC(=O)[C@@H]1CCCN(c2nc(O)c3c(n2)NC(=O)[C@H](C#N)[C@H]3c2cccc(OC)c2)C1 256033585 QTJUJIYOQSLRQG-DJIMGWMZSA-N 451.483 2.194 30 10 JEEE C=CCn1c(=C(C#N)C(=O)c2ccc(F)cc2)sc(=Cc2cnn(-c3ccccc3)n2)c1=O 837283906 BHBYOUHNGZFEML-UHFFFAOYSA-N 457.490 2.202 30 10 JEEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](Oc3ccnc(CN(C)CC)c3)C2)cc1 856643229 WHLYGXBJZANYIP-OAQYLSRUSA-N 458.584 2.291 30 10 JEEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O 911564867 DRGMUUAHYGDUHX-RCCFBDPRSA-N 455.511 2.439 30 10 JEEE CC1(C)O[C@@H]2C[C@@H]3[C@H]4C[C@@H](F)C5=CC(=O)C=C[C@]5(C)[C@]4(F)[C@H](O)C[C@]3(C)[C@@]2(C(=O)CO)O1 1076382929 FEBLZLNTKCEFIT-BCLVIMBESA-N 452.494 2.367 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC[C@H](OC)C(F)(F)F 1286424996 UHAIFCCZONPTEE-SFHVURJKSA-N 458.448 2.351 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1286433196 NEHHTQKCKCKUSI-SSPYTLHUSA-N 478.597 2.133 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(C)C)n1C[C@H]1CCCS(=O)(=O)C1 1286453146 YADVAQIMSDSMHK-GOSISDBHSA-N 461.563 2.020 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2cccc(C(F)(F)F)n2)CC1 1286490082 LCVZLOMIDXSHEE-UHFFFAOYSA-N 472.475 2.107 30 10 JEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1286494542 NCVBPUASZXXELE-UHFFFAOYSA-N 458.632 2.109 30 10 JEEE C=C(Br)Cn1c(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)nnc1[C@@]1(OC(C)C)CCOC1 1286548147 UHXMVCPGUZSIEU-RVKKMQEKSA-N 479.441 2.485 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(CC(C)C)C(=O)C1 1286587958 WANKZXJLEPIHCV-UHFFFAOYSA-N 460.604 2.076 30 10 JEEE C=CCC(C)(C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1286669168 XGEPQBQDUNTZJI-MRXNPFEDSA-N 474.512 2.296 30 10 JEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN([C@H](C)c2cccc(OC)c2)CC1 1286790704 OEMIJBOFKUWDRY-OAQYLSRUSA-N 492.628 2.334 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1286795066 DYYXVJNXFCRWPO-BQFCYCMXSA-N 461.588 2.100 30 10 JEEE C=CCOc1ccccc1Cn1c(N(C)[C@@H]2CCS(=O)(=O)C2)nnc1[C@]1(OCC)CCOC1 1286798769 OCJOKWRYFLVMTC-XXBNENTESA-N 476.599 2.167 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](CN2CCCC[C@@H]2C)C1 1286813972 GVYBDPJPHWNHPE-VQTJNVASSA-N 480.679 2.108 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)CC1CCCC1 1286815655 CTYBFWSKIBGWSR-UHFFFAOYSA-N 456.576 2.148 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1286816312 GYXIVGXMMVRRSB-RBBKRZOGSA-N 473.643 2.401 30 10 JEEE CC(C)N(CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@H](C#N)C1)C(C)C 1287959987 DEQQVUBGCFZORL-HXUWFJFHSA-N 489.646 2.043 30 10 JEEE CC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCSCC2)CCN1CCOC 1293541177 HPJUDUHXIXIPKV-JOCHJYFZSA-N 469.659 2.413 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1CCc1cc(C)ccc1OC)[C@@H]1CCS(=O)(=O)C1 1300488749 VWHRGEVTOFVTTK-HXUWFJFHSA-N 467.595 2.470 30 10 JEEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1Cc1cnc(C)s1)[C@H]1CCS(=O)(=O)C1 1300504878 VCCAPEUIONYTKI-KRWDZBQOSA-N 487.607 2.306 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@@H]2CCCN2CCCO)CC1 1300682032 DJXFNGYMDOAIBB-IRLDBZIGSA-N 470.593 2.159 30 10 JEEE C#CCSCCn1c(N2C[C@H](C)OC3(CCOCC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1300776188 FZRQXINLOOKQOQ-WMZHIEFXSA-N 464.632 2.459 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CCOc2ccccc2)nnc1N(C)CC(=O)N1CCOCC1 1300889309 BPNDZNQCGBLYET-RDPSFJRHSA-N 469.586 2.176 30 10 JEEE C=C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCCN(CC)S(C)(=O)=O)CC1 1301069774 DZSBTSYSVIVCED-OAQYLSRUSA-N 455.625 2.147 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cccc(C(=O)NCC)c2)CC1 1301124186 HAECPPOOZKCGIG-HXUWFJFHSA-N 457.600 2.381 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1301489772 BJYSZVWTIPIWCD-AWEZNQCLSA-N 464.357 2.110 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N1CCC[C@H](OCCOC)C1 1301491006 BYACSTCEEZKQLK-IBGZPJMESA-N 450.543 2.427 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC(C(=O)NC2CCCCC2)CC1 1301588209 DBSXSIAZZDONTB-HXUWFJFHSA-N 493.674 2.438 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCCN(C(C)=O)C1 1301772056 CGUKLLOBLYGQCR-JOCHJYFZSA-N 481.601 2.199 30 10 JEEE Cc1cc(C)n(Cc2nnc(N3CCC(C#N)CC3)n2Cc2ccc(S(C)(=O)=O)cc2)n1 1304748974 CTUXIHDPRRYOLM-UHFFFAOYSA-N 453.572 2.332 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)S(=O)(=O)c2cnc(C(F)F)c(C(=O)OCC)c2)c1 1309076782 MFCWXKXLNOSXBK-UHFFFAOYSA-N 451.451 2.436 30 10 JEEE Cn1cccc1-c1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CC(=O)NCC(F)F 1314917056 DLAAVQZOXCCWHQ-UHFFFAOYSA-N 482.539 2.249 30 10 JEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCN1CCCO[C@@H](C)C1 1358949533 FZNUPMHBBHGGRL-PMACEKPBSA-N 476.622 2.157 30 10 JEEE C#CCN(c1nnc(-c2cccc(Br)c2)n1Cc1ccn(C)n1)[C@H]1CCS(=O)(=O)C1 1358957735 ZKRSTUIRAJLTIX-SFHVURJKSA-N 489.399 2.116 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Cl)n1CCCC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1358959399 IFVUJBKCNKHXLE-MRXNPFEDSA-N 463.991 2.094 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@H](C)c1ncc(C)s1)[C@H]1CCS(=O)(=O)C1 1358965421 VAQRLLLAYUCJSY-LPHOPBHVSA-N 470.624 2.459 30 10 JEEE C#CCN(c1nnc(CCCc2ccccc2)n1C[C@@](C)(O)C(C)C)[C@H]1CCS(=O)(=O)C1 1358965804 BKFDHWPEJNKSSM-XUZZJYLKSA-N 458.628 2.487 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@]2(OC)CCOC2)CC1 1359041031 LSOZQGVERJYDAC-AVRWGWEMSA-N 485.560 2.329 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(C)(C)C)CC1 1359099769 SUWLHCTVVDLLBO-FHWLQOOXSA-N 451.637 2.082 30 10 JEEE C=C(Cl)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1359145735 AQYQOAWDBFEPHB-QGZVFWFLSA-N 455.954 2.416 30 10 JEEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1359293645 WEIGOQANTBEUCE-IFMALSPDSA-N 452.603 2.281 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1359330787 CWPLEPVMFQOAIT-UHFFFAOYSA-N 476.603 2.306 30 10 JEEE CCN(C(=O)c1cc(S(=O)(=O)N2CCOCC2)cc(OC)c1OC)c1ccc(C#N)cc1 1360938971 BGPUIEQYHYSVBT-UHFFFAOYSA-N 459.524 2.263 30 10 JEEE C=CCc1cc(CNS(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc(OC)c1OC 1462944784 MIYHHITZDQNRMC-UHFFFAOYSA-N 455.577 2.319 30 10 JEEE C#C[C@@H](CC)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 1467771656 TZIIMJCBAZBDFQ-KKSFZXQISA-N 454.508 2.494 30 10 JEEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCCc2cnn(C)c2)c1 1503408621 FIXUXPYFSQUZPY-QFIPXVFZSA-N 486.577 2.004 30 10 JEEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(S(=O)(=O)CC)CC1 1507588643 OXJWYXUFQYINHP-LJQANCHMSA-N 495.646 2.403 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1CCCS(=O)(=O)Cc1ccccc1 1507665663 RGSXNKNDCIYYII-UHFFFAOYSA-N 450.568 2.147 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCN1CCOC[C@@H]1C 1507677434 ZOJKVZZQUGKKBL-PCCBWWKXSA-N 470.618 2.232 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCCO2)n1CCC[C@@H]1NC(=O)NC1=O 1507701441 GXRGHUCDEXAXIN-RBUKOAKNSA-N 454.506 2.287 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1507785172 NJVPUOWEYGMAFR-HZPDHXFCSA-N 484.424 2.139 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC=C(c2ccccc2)C1 1508145204 KOLCLPRZWWFBHQ-FQEVSTJZSA-N 476.624 2.075 30 10 JEEE C=CCSCCn1c(N2CCC([C@]3(C)NC(=O)NC3=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1508167270 HDGLYSVEAINTEI-GOTSBHOMSA-N 492.646 2.052 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(=O)NC1CCCCC1 1538976286 JUGAVJNLCKCYMO-INIZCTEOSA-N 471.631 2.453 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1539206601 SFEUQWBEBBFVGK-SRYPRDQNSA-N 464.632 2.382 30 10 JEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1Cc1cc(C)on1)[C@@H]1CCS(=O)(=O)C1 1539225034 LINMWQWAJRUVRH-HXUWFJFHSA-N 469.567 2.043 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(OC)cc(OC)c2)n1CC1(NC(=O)OC(C)(C)C)COC1 1539245447 HHJKORICFPPNMX-UHFFFAOYSA-N 481.553 2.329 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCN(CC(F)(F)F)C2)CC1 1539459877 QUPGCGURIZIDJS-FQEVSTJZSA-N 487.530 2.368 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1539624546 UFALCJBCXPKRQT-JTHBVZDNSA-N 463.586 2.008 30 10 JEEE C=CCCCCn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1539974810 VOODOHWUJQCIGH-UHFFFAOYSA-N 470.549 2.280 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCCN(CCC)C(=O)C1 1540876453 RLJPQIVECGRPII-SFHVURJKSA-N 489.621 2.101 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(c2ncnc3sccc23)CC1 1540897441 JDXDPVGOXVEBGI-UHFFFAOYSA-N 461.617 2.334 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2CC)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1540908819 OOEUGYKBGOISNO-CYFREDJKSA-N 490.626 2.405 30 10 JEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCCN1CCN(c2ncccn2)CC1 1542525389 NETHIFZGEFLLQZ-KRWDZBQOSA-N 452.987 2.141 30 10 JEEE CN(CCN1CCOC(C)(C)C1)c1nnc(-c2ccc(C#N)cc2)n1CC(C)(C)N1CCOCC1 1554299299 HLUSDQXZRAZAQA-UHFFFAOYSA-N 481.645 2.475 30 10 JEEE CNC(=O)[C@@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(NC(C)=O)nc2)C1 1554400270 FTJOBTCOHXOWIZ-DEOSSOPVSA-N 458.526 2.181 30 10 JEEE C#CCn1ccc(CN(CCOC)C(=O)c2cccc(S(=O)(=O)N3CCCC[C@@H]3C)c2)n1 1586565717 YVXPBTBLEDXTGK-IBGZPJMESA-N 458.584 2.368 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@H](F)COC)[C@@H]1CCS(=O)(=O)C1 1588030567 XNAMHSYCMOWQOJ-RYQLBKOJSA-N 468.526 2.168 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@](C)(O)[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1588041065 UMDQSRPQVBPVDL-BOCKYXSRSA-N 460.600 2.378 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@@H](C(C)C)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1588059472 ORNNPMNLYBRTHS-RPWUZVMVSA-N 499.681 2.161 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H](C)c1nc(C)cs1)[C@H]1CCS(=O)(=O)C1 1588065143 VKLPVGOKHLJYOL-APWZRJJASA-N 470.624 2.459 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCN2CCCCC2)CC1 1588899365 ORUOCXXNXOSINH-UHFFFAOYSA-N 480.613 2.414 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2CC2(NC(=O)OC(C)(C)C)COC2)CC1 1588908085 KMNASQNFLFTDNS-UHFFFAOYSA-N 494.596 2.205 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCc2ccc(NC(C)=O)cc2)CC1 1588913221 CQOZBFHYFRVDHX-UHFFFAOYSA-N 459.554 2.440 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2Cc2cccc(CN(C)C)c2)CC1 1588914124 XJBPCEJYHFWBHC-UHFFFAOYSA-N 457.582 2.416 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CCc2ccc(NC(C)=O)cc2)CC1 1588955239 SJBAQUGOEVPUSD-UHFFFAOYSA-N 485.592 2.431 30 10 JEEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1594448410 FOAHVCHJWRTXDI-UHFFFAOYSA-N 489.584 2.348 30 10 JEEE C=CCC(C)(C)Cn1c(N2CCN(c3cnn(C)c3)C(=O)C2)nnc1[C@@]1(OCC)CCOC1 1594533766 GHIVXFGPHAEHOL-HSZRJFAPSA-N 457.579 2.119 30 10 JEEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CCO)CCOCC(F)(F)F 1595405565 QUHNVADVDAYBTP-OAHLLOKOSA-N 479.500 2.150 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCO[C@@H](c2nnc(C(C)C)o2)C1 1595496814 ICQDQVLVGBXPNQ-GOSISDBHSA-N 467.530 2.340 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@H](C(N)=O)C1 1595772961 KPMXHZVDWRNOPV-ZDUSSCGKSA-N 455.943 2.040 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 1595796613 AQXDLCFWTKQHOH-SFHVURJKSA-N 483.635 2.124 30 10 JEEE Cc1ccccc1CN1CCCN(C(=O)CN2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC1 1645569818 CTWFGMKZMUWJLH-JOCHJYFZSA-N 455.603 2.474 30 10 JEEE C=CCN([C@@H](Cc1ccccc1)C(=O)OCC)S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C 1662794176 WBKZNDOBCSCSKD-NRFANRHFSA-N 457.552 2.228 30 10 JEEE C=CCc1cc(CNC(=O)N2CCN(c3nc(N)nc(C4CC4)n3)CC2)cc(OC)c1OC 1667711392 SFTIEGJEOJJJSP-UHFFFAOYSA-N 453.547 2.109 30 10 JEEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)c1 1668096696 KUEZQVRARIKMLP-CQSZACIVSA-N 451.907 2.479 30 10 JEEE C#CCN(c1nnc(C(C)C)n1C[C@H](CC)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1689979464 BQUUZQGBHNFZQY-DLBZAZTESA-N 453.609 2.332 30 10 JEEE C#CCN(c1nnc(CC)n1Cc1ccc(NC(=O)NC(C)C)cc1)[C@H]1CCS(=O)(=O)C1 1689993121 VYZUPUJJFUPTFU-IBGZPJMESA-N 458.588 2.045 30 10 JEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1C[C@@H]1CCC[C@H](O)C1)[C@@H]1CCS(=O)(=O)C1 1689993681 JLISDEYUXDZLNJ-VSKRKVRLSA-N 486.638 2.250 30 10 JEEE C#CCN(c1nnc(CCOc2ccccc2)n1Cc1ncccc1C)[C@H]1CCS(=O)(=O)C1 1689994051 PVRZVMIFEQYBRS-FQEVSTJZSA-N 465.579 2.278 30 10 JEEE C#CCN1CCN(c2nnc([C@H](CC)c3ccccc3)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1690113552 MZMYQLZSCXZYMY-IFMALSPDSA-N 455.628 2.400 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCN2CCOC[C@H]2C)CC1 1690138330 YUBFJSVYFMNDNQ-WOJBJXKFSA-N 498.603 2.244 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3CC)n2C[C@@]2(OC)CCOC2)CC1 1690152428 KODPHFSOKAQDHF-SANMLTNESA-N 481.597 2.191 30 10 JEEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@H](CN2CCOCC2)C1 1690159783 MNZRROALPKWWLW-LJQANCHMSA-N 471.627 2.487 30 10 JEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCc2cc(OC)c(OC)cc2C1 1690181493 ZWUXRYMZSZLDLR-UHFFFAOYSA-N 455.584 2.347 30 10 JEEE C#CCSCCn1c(N2CC[C@@H](Cc3cnn(C)c3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1690186442 QHTGMZCKQXBJNS-WMZHIEFXSA-N 458.632 2.488 30 10 JEEE C=C(C)COCCn1c(Cc2c(F)cccc2F)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1690315883 OSTKENZANIZKIT-UHFFFAOYSA-N 474.512 2.260 30 10 JEEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1690497102 HMUNJANTLKWGML-HXUWFJFHSA-N 456.595 2.232 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CC(=O)N(CCOC)C2)C1 1690691190 AICRPORVTVJYTA-FPOVZHCZSA-N 450.543 2.093 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2CCNC(=O)C(C)C)c1 1705506814 JGGFUHJYJZNURV-UHFFFAOYSA-N 459.554 2.092 30 10 JEEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1705523139 LMIBKDFPUVCGGA-QFIPXVFZSA-N 456.934 2.306 30 10 JEEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccc(-n2cncn2)nc1 1705558870 KMKHZCUSSIVMFI-HDICACEKSA-N 463.546 2.142 30 10 JEEE C#CCN(c1nnc([C@@H]2COc3ccccc3O2)n1CC(C)(C)COCC)[C@H]1CCS(=O)(=O)C1 1705565650 JDMUECAOPAQUTI-RXVVDRJESA-N 488.610 2.480 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCN(C)C1CCCC1)[C@H]1CCS(=O)(=O)C1 1705566301 MZXBYXXYUCAMJC-FQEVSTJZSA-N 456.616 2.150 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CC(=O)Nc1c(C)cccc1C)[C@@H]1CCS(=O)(=O)C1 1705567034 SMVKZFMUTDVPDH-WOJBJXKFSA-N 485.610 2.402 30 10 JEEE C#CCN(c1nnc(C2CC2)n1CC[C@H]1CCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1705567570 YWDJICLKDFJHDD-IEBWSBKVSA-N 477.631 2.429 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@H]1CCS(=O)(=O)C1 1705621614 ITHQZOWCMKBMNW-IAGOWNOFSA-N 450.536 2.078 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cn4ccccc4n3)n2CC(C)(C)CN(C)C)CC1 1705650327 PACPMNSJWABDCY-UHFFFAOYSA-N 476.629 2.070 30 10 JEEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1705659094 LHENMYSYQFKXDD-UHFFFAOYSA-N 450.616 2.461 30 10 JEEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCC(CC(=O)N2CCN(CC)CC2)CC1 1705660123 NIMHYVHCEFAOJW-QFIPXVFZSA-N 488.702 2.309 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1705668945 XLMIPVNKCFXLNE-USCONSEESA-N 462.547 2.099 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1705708400 BVFXGXLDDZXBLE-BKULYWANSA-N 480.569 2.051 30 10 JEEE C=CCN(C)c1nnc(CSc2ccccc2OC)n1CC1(O)CCS(=O)(=O)CC1 1705847246 KNVLTUCPAIZWGQ-UHFFFAOYSA-N 452.602 2.141 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 1705899885 JTKSRBGVSOTUNP-SFHVURJKSA-N 467.530 2.340 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN([C@H](C)c2nc(C(C)C)no2)CC1 1705901029 YFHYWBPKOZKOAZ-GOSISDBHSA-N 479.589 2.340 30 10 JEEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cc2c(cc1OC(F)F)OCO2 1722358131 XFQJLKIUCGSVLH-UGSOOPFHSA-N 450.442 2.450 30 10 JEEE C#CCN(c1nnc(-c2ccccc2)n1CCNC(=O)[C@@H](C)CCC)[C@@H]1CCS(=O)(=O)C1 1722361981 LMAUGBFWRGKVCX-AZUAARDMSA-N 457.600 2.124 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCC(C)(C)C1CC1)[C@H]1CCS(=O)(=O)C1 1722370312 NDESCKVGVHTSFP-IHPCNDPISA-N 464.632 2.455 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCC(=O)Nc1cccc(Cl)c1C 1722390453 QWZKALMZSSZXKL-KRWDZBQOSA-N 491.017 2.342 30 10 JEEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(F)(F)C1(OC)CCOCC1 1722407364 JENOACMNZRYVKM-UHFFFAOYSA-N 472.500 2.211 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCNC(=O)C(C)C)CC1 1722443129 NYTYTSDGTIZTIJ-UHFFFAOYSA-N 471.993 2.122 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1)C(C)C 1722665631 NTTOYHBUVTWVAN-NJDAHSKKSA-N 457.623 2.384 30 10 JEEE C=CCOc1ccc(Cn2c(N3CC[C@@H](C(N)=O)C3)nnc2[C@@]2(OC(C)C)CCOC2)cc1 1722704310 GPCJCJLOICAURQ-NTKDMRAZSA-N 455.559 2.243 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2c(F)cccc2F)C1 1722717356 ADLSYNASCFSHNB-HZPDHXFCSA-N 452.527 2.482 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1722732267 XEZQXZZFVVAMFC-OALUTQOASA-N 476.555 2.189 30 10 JEEE CC(C)[C@H](Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@H](C)CC#N)N1CCOCC1 1723119375 GSUHXKUGJALFAI-NQIIRXRSSA-N 478.601 2.287 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@H](C(C)C)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1740622890 KHFWCYLFEULNEZ-HBMCJLEFSA-N 463.648 2.267 30 10 JEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC[C@@H](OC)C(F)(F)F 1740637590 FYHQGDODDHMADO-GOSISDBHSA-N 461.492 2.492 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccc(C)s2)CC1 1740703618 YSVWPGXATRQUNU-HSZRJFAPSA-N 457.600 2.314 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1740750766 UHVWEFIXJQRGEQ-VQIMIIECSA-N 472.550 2.344 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N1CCN(S(C)(=O)=O)CC1 1740765813 CRQYIYYULGMLGI-DYESRHJHSA-N 479.578 2.059 30 10 JEEE C=C(C)COCCn1c(N2CCN(C3CCOCC3)C[C@H]2C)nnc1[C@]1(OCC)CCOC1 1740799465 MRUJQVGVGUMGDG-YKSBVNFPSA-N 463.623 2.212 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1740955428 UNLUBXVXMWOXOV-HXUWFJFHSA-N 457.542 2.014 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCCO[C@@H](c2ccccc2)C1 1740990644 YHOCQBSCDXRMHD-HXUWFJFHSA-N 456.572 2.247 30 10 JEEE CC(C)(C)[S@@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1741242060 CJONODWVKBWIBD-JJCDCTGGSA-N 463.629 2.377 30 10 JEEE CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)c2nc(C)cs2)CCO1 1748209203 DSBCULBSNGTXQI-RDTXWAMCSA-N 451.556 2.337 30 10 JEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1ccc(C(C)(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 1748802080 KTXWDEKZLWTQIL-LJQANCHMSA-N 491.564 2.301 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCSC1)[C@H]1CCS(=O)(=O)C1 1748808661 FQXNDSADJGBXLB-HOCLYGCPSA-N 452.005 2.373 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1CCOC1CCCCCC1)[C@H]1CCS(=O)(=O)C1 1748817695 OMQBKGWLPASHAX-OALUTQOASA-N 450.605 2.148 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1Cc1ccccc1CN1CCC(O)CC1)[C@@H]1CCS(=O)(=O)C1 1748817806 QPDMSKGHRMPQTR-HSZRJFAPSA-N 499.681 2.108 30 10 JEEE C#CCN(CC)c1nnc(-c2cc(OC)ccc2Br)n1CC(=O)N1CCOCC1 1748915481 VKRRISRJVGMDMU-UHFFFAOYSA-N 462.348 2.035 30 10 JEEE C#CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H](C)SC 1748949649 GYKCXMCAMMDWBW-OAHLLOKOSA-N 450.634 2.384 30 10 JEEE C#CCN1CCN(c2nnc(CSc3ccc(C)cc3)n2Cc2ccc(C(N)=O)nc2)CC1 1749000261 QGOAFQUPAXSSJX-UHFFFAOYSA-N 461.595 2.176 30 10 JEEE C#CCSCCn1c(COc2ccccc2OC)nnc1N1CCC(S(C)(=O)=O)CC1 1749048867 WTBAUUDEHBLUFI-UHFFFAOYSA-N 464.613 2.246 30 10 JEEE C=C(Br)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN2C(=O)NC[C@H]2C1 1749089677 ALUGTMFWDSIMPV-AWEZNQCLSA-N 463.336 2.085 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1749660050 NCKHBABFLNPJQD-CXAGYDPISA-N 467.448 2.175 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CC[C@H]3C[C@H]2CO3)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1749739827 KSNBMKXONFSIRI-MHORFTMASA-N 481.619 2.017 30 10 JEEE C=CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](OC)[C@H](OC)C1 1749755693 JZXPDGMRWJXKOF-KURKYZTESA-N 483.635 2.356 30 10 JEEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@](C)(N2CCOCC2)C1 1749766137 JRMAUYYXKLGQOD-IPJJNNNSSA-N 451.637 2.222 30 10 JEEE CC(C)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1750846018 ASRUISYHZVFGLM-NRFANRHFSA-N 486.642 2.332 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCO[C@H]1CCOC1 1760117484 PIYKURLCRKQXDK-GBESFXJTSA-N 463.579 2.240 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(N(C)c2ccccc2)CC1 1760155211 UAGUCEGXTXFWEN-JOCHJYFZSA-N 486.642 2.130 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@](C)(O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1760182986 NTHNTOADCNLJFD-HYBUGGRVSA-N 487.626 2.181 30 10 JEEE C#CCN(c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@]1(C)CN(C)C1=O)[C@H]1CCS(=O)(=O)C1 1760184936 ZLBWPACUHUZPMT-NBGIEHNGSA-N 483.638 2.348 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCc1ccc(Cl)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1760187931 MBYXTDRVWYABOH-QZTJIDSGSA-N 479.002 2.313 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1CCN(C(C)=O)CC1 1760252041 BBVKNGVYBJBOPE-OYRHEFFESA-N 488.633 2.393 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)ccc3Br)n2C[C@@H](COC)OC)CC1 1760254903 PDKFWRVAFOLJEH-KRWDZBQOSA-N 478.391 2.133 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2cccc(OCCC)c2)CC1 1760268020 APUQZDWQGCFJEZ-QFIPXVFZSA-N 478.597 2.227 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3COc4ccccc4O3)n2C[C@@H](OC)C(C)C)CC1 1760269189 BDVXYLLMPVDKJU-FGZHOGPDSA-N 467.570 2.427 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1760306663 JGBBULWTEJGQGG-WOJBJXKFSA-N 497.482 2.312 30 10 JEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 1760510079 FPSPGDMRZCOJSV-NSHDSACASA-N 477.431 2.118 30 10 JEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1760526374 MJFXMMKOIOVKNJ-LJQANCHMSA-N 486.621 2.278 30 10 JEEE CN(C)CC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](CC(N)=O)C1 1766923250 GSMCTHVTDRLKPM-IBGZPJMESA-N 453.591 2.408 30 10 JEEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1CC1(C(=O)N(C)C)CCCC1 1767571203 CVOBHJCGUIDUTI-QGZVFWFLSA-N 451.575 2.284 30 10 JEEE CN(c1nnc(COc2ccc(C#N)cc2)n1CCc1nccs1)[C@@H]1CCS(=O)(=O)C1 1768576008 FOKGICNAMPMBDE-MRXNPFEDSA-N 458.569 2.051 30 10 JEEE COc1cc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2CCNC(C)=O)cc(OC)c1O 1862421597 LGWKSQRWCYQLLR-LJQANCHMSA-N 476.432 2.402 30 10 JEEE CC(C)(C)OC(=O)N(CCC(=O)N[C@H](CO)C(=O)Nc1ccccc1C#N)Cc1ccncc1 1867085480 LWTSEJCEVZTBJX-HXUWFJFHSA-N 467.526 2.196 30 10 JEEE Cc1cc(C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)Nc2ccc(C#N)cc2)cc(S(N)(=O)=O)c1 1867237479 LPUHAGPNWAUPQY-JOCHJYFZSA-N 478.530 2.200 30 10 JEEE Cn1c(=O)c2cc(C(=O)N3CCC(Oc4ncccc4C#N)CC3)n(Cc3ccccc3)c2n(C)c1=O 1891583507 QJCDSIOLBVSLLV-UHFFFAOYSA-N 498.543 2.037 30 10 JEEE N#Cc1nccnc1O[C@@H]1CCCN(C(=O)C2CCN(C(=O)NCc3cccs3)CC2)C1 1892067780 XOWQHVPNLOOXBJ-QGZVFWFLSA-N 454.556 2.401 30 10 JEEE C#CCN(C(=O)[C@]1(CO)CCN(C(=O)OC(C)(C)C)C1)C1CCN(C(=O)OC(C)(C)C)CC1 2136191245 AAPRSFQSINEPAM-XMMPIXPASA-N 465.591 2.467 30 10 JEEE C=C(CS(=O)(=O)N1CCO[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2255803762 SXRCDBRVEOZDCC-JKSUJKDBSA-N 460.402 2.118 30 10 JEEE CC(C)(C)OC(=O)NC[C@H](O)CNC(=O)c1cccc(Cl)c1B1OC(C)(C)C(C)(C)O1 2256093439 DROKMHDGUUNDFV-CYBMUJFWSA-N 454.760 2.255 30 10 JEEE CN(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)cs1 2256621285 SEUDHXKNWGHEBQ-MRXNPFEDSA-N 453.414 2.118 30 10 JEEE CN1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)[C@@H](CNC(=O)OC(C)(C)C)C1 2267124398 KOYTVBGMIXRDBG-INIZCTEOSA-N 465.425 2.328 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@@H](CNC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)C1 2267542184 NYGGTZZUTCVMHN-AWEZNQCLSA-N 467.397 2.056 30 10 JEEE CO[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)N(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)C1 2267558086 XGBULKIKAOKWDI-GJZGRUSLSA-N 450.341 2.333 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H](NC(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)C[C@H]2C1 2281924262 PSMUCFCUZSGLED-HRCADAONSA-N 460.384 2.474 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1[C@H]2CC[C@@H]1CN(C(=O)OC(C)(C)C)C2 2281966404 PVFQKSXDBTXWDJ-IYBDPMFKSA-N 460.384 2.426 30 10 JEEE C[C@@H]1C[C@@H](NC(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)CCN(C(=O)OC(C)(C)C)C1 2282052644 PGPQPNMKYAAMGG-CVEARBPZSA-N 462.400 2.485 30 10 JEEE CC(C)[C@H]1[C@H](NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CCN1C(=O)OC(C)(C)C 2282063094 HMYDWSIKBIEPFK-SJORKVTESA-N 462.400 2.483 30 10 JEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCc1csc(NC(=O)OC(C)(C)C)n1 2282332004 UUXFPTVCFXVSND-UHFFFAOYSA-N 499.424 2.001 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@]2(NS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282352925 COOFSKQJJASSQT-NYHFZMIOSA-N 479.408 2.059 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@]2(C[C@H](NC(=O)c3ncsc3B3OC(C)(C)C(C)(C)O3)CO2)C1 2282515041 MGDRHAXONXBKKH-FPTDNZKUSA-N 479.408 2.341 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC([C@H]3CCN(C(=O)OC(C)(C)C)C3)C2)n1 2282535815 UCGXOWKUTJODTL-HNNXBMFYSA-N 460.384 2.048 30 10 JEEE Cc1nn(C)c(C(=O)N2CCCN(C(=O)OC(C)(C)C)[C@@H](C)C2)c1B1OC(C)(C)C(C)(C)O1 2282568828 IURPAHAOQHGDRB-HNNXBMFYSA-N 462.400 2.499 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@]12C[C@H]1CN(C(=O)OC(C)(C)C)C2 2282588732 IGJDNABRUQYNJF-WNSKOXEYSA-N 460.384 2.189 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O 2282666919 LILRCUXQZQZDJG-QFBILLFUSA-N 460.380 2.252 30 10 JEEE CC(C)(C)OC(=O)N[C@@]1(C(=O)O)CCN(C(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282677940 FZDUAYCNGIWGTL-QHCPKHFHSA-N 460.336 2.180 30 10 JEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H]1CCCCN(Cc2ccccc2)C1 2282862651 GJICDPATZLBKCQ-IBGZPJMESA-N 474.436 2.052 30 10 JEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CC(=O)N[C@H]2CCC=C2B2OC(C)(C)C(C)(C)O2)C1 2283961322 FZMYNOHURLJLPH-RDJZCZTQSA-N 484.424 2.247 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1CCc2ccc(B3OC(C)(C)C(C)(C)O3)cc21 2283965015 QRTZLGWHVIYZDW-PKOBYXMFSA-N 458.364 2.245 30 10 JEEE Cn1cc(C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)c(CNC(=O)OC(C)(C)C)n1 2283970839 HOGNKQGNQZUURE-UHFFFAOYSA-N 477.396 2.131 30 10 JEEE CN(C(=O)OC(C)(C)C)[C@H]1COC[C@@H]1C(=O)NCc1ccccc1B1OC(C)(C)C(C)(C)O1 2283983147 GQTNFOKJJNZCSZ-HKUYNNGSSA-N 460.380 2.484 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2285181542 WVAMCIZHHSHJLL-SFHVURJKSA-N 464.343 2.377 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCc1csc(NC(=O)OC(C)(C)C)n1 2337202445 JJDASZNAWUFVNH-UHFFFAOYSA-N 463.369 2.453 30 10 JEEE CO[C@H]1C[C@H](CNC(=O)OC(C)(C)C)N(C(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C1 2337400134 OYIFMKRFXAPJBO-KGLIPLIRSA-N 467.397 2.197 30 10 JEEE C=CC1(N[C@@]2(C(=O)O)CN(C(=O)OC(C)(C)C)[C@]3(CCOC3)C2)CN(C(=O)OC(C)(C)C)C1 2350975374 DXBYFETXNAPAGV-DHIUTWEWSA-N 467.563 2.375 30 10 JEEE COc1ccc(NC(=O)[C@@H](CN(C)C)NC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2365286430 KDIYXKBKHGKGSL-QGZVFWFLSA-N 463.384 2.388 30 10 JEEE CSCc1nc2ccccc2n1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 15759998 VLVWBYUNAJGPLA-UHFFFAOYSA-N 469.592 2.304 30 10 JEEE COc1ccc(/C=N/Nc2nnc(SCC(=O)c3ccc(OC)c(OC)c3)n2N)cc1OC 20292758 ZYFJPIFENSQBLS-FOKLQQMPSA-N 472.527 2.447 30 10 JEEE COc1ccc(OC)c(NC(=O)CSc2nnc(N/N=C(\C)c3ccc4c(c3)OCO4)n2N)c1 21318446 NQQCFLFKEYPNMH-WYMPLXKRSA-N 485.526 2.305 30 10 JEEE CCOC(=O)c1ccc(NC(=O)C[C@H]2S/C(=N/N=C3\CCSC(=S)N3)NC2=O)cc1 39886298 JPINMULWXYQZFA-GFCCVEGCSA-N 465.582 2.104 30 10 JEEE COc1ccc([C@H]2c3c(nc(NCc4ccc5c(c4)OCCO5)[nH]c3=O)NC(=O)[C@@H]2C#N)c(OC)c1 72472399 KFLYIOLSKAJSDN-OXQOHEQNSA-N 489.488 2.394 30 10 JEEE N#C[C@@H]1C(=O)Nc2nc(NCc3ccc4c(c3)OCCO4)[nH]c(=O)c2[C@H]1c1cccc([N+](=O)[O-])c1 72472464 QKERCJLBFANDMT-YJBOKZPZSA-N 474.433 2.285 30 10 JEEE NS(=O)(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCO4)[C@H]2c2ccccn2)cc1 170353522 DBTDNMUZDUBQFG-OAQYLSRUSA-N 477.498 2.447 30 10 JEEE Cc1cc(C)c(C#N)c(SC2=C(N3CCN(CCO)CC3)C(=O)N(c3ccccc3C)C2=O)n1 526696289 UUKDMJSQAJKOSS-UHFFFAOYSA-N 477.590 2.366 30 10 JEEE C=CCNC(=O)CN1CCN(C(=O)CSc2nnc(-c3ccc4ccccc4c3)o2)CC1 614081745 SRMWUCANJCNXLW-UHFFFAOYSA-N 451.552 2.428 30 10 JEEE N#CC(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccc(OC(F)(F)F)cc1 729670277 PMWVPCWQPDPJLX-UHFFFAOYSA-N 453.405 2.472 30 10 JEEE CCOC(=O)CSc1n[nH]c(NN=Cc2c(C)nn(-c3ccccc3)c2N2CCOCC2)n1 1084044209 OUBQBCGWIDTKGA-UHFFFAOYSA-N 470.559 2.237 30 10 JEEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2CC(=O)N(C3CC3)[C@@H]2c2cccc(OC)c2)n1 1271204317 IKFSUARIWJFZCH-ISKFKSNPSA-N 450.539 2.252 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1CCNS(=O)(=O)Cc1ccon1 1286277246 XMMCLJQUXMHNLQ-KRWDZBQOSA-N 479.566 2.367 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CC(F)(F)CO1 1286297940 ZEIXTBVVHQQWII-HRCADAONSA-N 455.506 2.469 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H](c1ccsc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1286386532 CFKLUCFTTOBXCM-PMACEKPBSA-N 470.624 2.331 30 10 JEEE C#CCN(c1nnc(C2CCCC2)n1Cc1cccnc1OCCOC)[C@@H]1CCS(=O)(=O)C1 1286394613 OWMDDORHSIGEIV-HXUWFJFHSA-N 473.599 2.031 30 10 JEEE C#CCSCCn1c(N2CCN(c3cccc(F)c3)C(=O)C2)nnc1[C@]1(OCC)CCOC1 1286512056 IAXXQBOJJOKHLS-QHCPKHFHSA-N 473.574 2.289 30 10 JEEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2ncccc2F)CC1 1286514197 BFQKKMSQAOPRSS-HKUYNNGSSA-N 460.579 2.229 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1286792485 ZLNLTOLAYXFIDZ-NHCUHLMSSA-N 455.559 2.106 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1286816344 JSPDPACLCTZRDO-UHFFFAOYSA-N 474.587 2.374 30 10 JEEE Cc1noc(C)c1CN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1290930744 BBBPJSWMXACHRL-IBGZPJMESA-N 499.597 2.252 30 10 JEEE CN(C)S(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(Cc2ccsc2)CC1 1298101610 IDMMLUDWGRVUCZ-UHFFFAOYSA-N 485.639 2.092 30 10 JEEE CN1CCN(CCn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@](F)(C#N)C2)CC1(C)C 1298902678 FGXQKDIBKAYFSF-DEOSSOPVSA-N 466.565 2.197 30 10 JEEE COc1cc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(CC#N)CC2)cc(OC)c1OC 1299886752 GHONUIPXBHLEJD-SFHVURJKSA-N 489.598 2.384 30 10 JEEE COc1cc(Cl)ccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1CC1(N(C)C)CCOCC1 1299909521 BZNOFOYFBWVBKJ-KRWDZBQOSA-N 460.966 2.447 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCn1nc(C)cc1C)[C@H]1CCS(=O)(=O)C1 1300482401 FMTVPCQVRREFEG-NRFANRHFSA-N 497.581 2.384 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Br)n1CC1(O)CCC1)[C@H]1CCS(=O)(=O)C1 1300488706 GNBMSEQXCXGHSR-HNNXBMFYSA-N 479.400 2.249 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H](C)Cc1cccs1)[C@H]1CCS(=O)(=O)C1 1300493078 QLBJKBNYGMYFRS-SJORKVTESA-N 456.597 2.302 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1C[C@H](c1ccc(C)cc1)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1300497378 YQADPEYZHCXTOA-DNQXCXABSA-N 499.681 2.485 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CC1(N(C)C)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1300498393 JWRBHLHFTOHMSR-OAQYLSRUSA-N 470.643 2.155 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1nc(C(F)(F)F)cs1 1300578223 JNPXKBFXPZMJQI-AWEZNQCLSA-N 471.530 2.361 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CC(F)(F)CNC(=O)OC(C)(C)C)CC1 1300700659 UFIBFMCQNAGUBF-KRWDZBQOSA-N 468.549 2.087 30 10 JEEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2CCNC(=O)OC(C)(C)C)CC1 1300701466 VFUOTGOSXCWZOG-UHFFFAOYSA-N 460.529 2.427 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(C)(C)c2cccc(OC)c2)CC1 1300723488 UPBLJFWSTHBOIE-OAQYLSRUSA-N 478.597 2.181 30 10 JEEE C#CCSCCn1c(-c2ccc3ccccc3n2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1300750753 BCNVTNFYXUQSAG-KRWDZBQOSA-N 470.624 2.330 30 10 JEEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1300766924 NWYWQQCMGLWIAZ-JOCHJYFZSA-N 453.660 2.235 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCN(Cc2nc(COC)no2)CC1 1300890356 UVXUMROLOKCMLL-XMSQKQJNSA-N 459.595 2.309 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2nc3cccc(Cl)c3n2C)C1 1301538724 KMOXOAUKURADTC-LSDHHAIUSA-N 494.021 2.258 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCN(Cc2cccc(C)c2)CC1 1301587359 UMSSQBNPSZLAQP-UHFFFAOYSA-N 480.638 2.495 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1CCN(c2ccncc2)CC1 1301967855 HSVYKRAONMMAAF-IEBWSBKVSA-N 457.604 2.088 30 10 JEEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CCOC1 1314138280 DDWKIJKBWRTDBY-AXHZCLLHSA-N 490.605 2.306 30 10 JEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)Cn2c(C)nc3cc(F)c(F)cc32)c1 1351600228 GFEFGDXTJQDYBH-UHFFFAOYSA-N 452.461 2.496 30 10 JEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 1358904564 GUZRFRMNTYVGCG-SJORKVTESA-N 468.624 2.043 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCCCCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1358962337 OBAZCALFIXGZQO-SFTDATJTSA-N 463.648 2.413 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(C)CC1 1359099211 LFOCFGJKZYPEFK-FHWLQOOXSA-N 467.636 2.219 30 10 JEEE C=C(C)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 1359120183 NEPYPBGAIYZKGY-UHFFFAOYSA-N 477.587 2.127 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC(C)(C)N1CCCCC1 1360237374 CMDZBMGASMCKIB-UHFFFAOYSA-N 479.633 2.274 30 10 JEEE C=C(C)CN1CCC(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)CC1 1464907322 LOCIMDYIBBNRMH-KRWDZBQOSA-N 450.561 2.152 30 10 JEEE CC[C@@H](C)NC(=O)[C@@H]1CSCN1S(=O)(=O)c1cc(Br)c(C#N)cc1F 1474799962 AKVJINDAXDTDCI-RNCFNFMXSA-N 450.355 2.438 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2Cc2ccc(C)n(C)c2=O)c1 1507553215 ZCOZEEGYBZAMEH-UHFFFAOYSA-N 481.560 2.376 30 10 JEEE C#CCCCCn1c([C@H]2CCCCO2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1507560865 LLAOENAVNBIVNN-OAQYLSRUSA-N 470.618 2.264 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1cc(C(CC)CC)no1)[C@@H]1CCS(=O)(=O)C1 1507632619 OJGOFYXWVCECOZ-ZWKOTPCHSA-N 461.588 2.349 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@H]1CCCCS1(=O)=O 1507653585 RVETXBFKRMKAKH-LJQANCHMSA-N 492.605 2.105 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(Br)ccc1OC 1507690740 WJGMMFFSGRLPBS-AWEZNQCLSA-N 467.389 2.459 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1c(C)nn(C)c1C 1507702442 KLEOINHPZGGERK-UHFFFAOYSA-N 469.977 2.346 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H]2CCC[C@H](O)C2)CC1 1507734991 GOBIJWDLQOERCQ-QUCCMNQESA-N 481.597 2.479 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)OCC)CC1 1507805713 NRNKWJMRZZRKPY-HKUYNNGSSA-N 469.546 2.185 30 10 JEEE C=C(C)CN(CC)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1507806452 IDNUBYMXGBEKKV-ZWKOTPCHSA-N 452.625 2.023 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@H](O)CC2(CCCC2)C1 1508075602 XNPWUKVYHDKFAU-GOSISDBHSA-N 455.559 2.396 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1508143806 KMDOQTCVGYXNQA-GOSISDBHSA-N 475.590 2.104 30 10 JEEE CCC[C@@H](C)C(=O)NCCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1514284438 DORBXBQFOCLBJK-KNQAVFIVSA-N 493.612 2.402 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N(CC)C(=O)OC(C)(C)C 1539016000 SCKXLHGGHPWQCR-ZACQAIPSSA-N 453.609 2.284 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2C[C@H](C)N2CCOCC2)c1 1539045958 JSMLZXWHTMQJFG-FQEVSTJZSA-N 473.581 2.041 30 10 JEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2cccc(Cl)c2)CC1 1539125674 PHZMZAKPNNBJEE-GOSISDBHSA-N 476.002 2.209 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1539212229 NWJCFDIHUJGFHR-IERDGZPVSA-N 466.991 2.395 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2C[C@H]2CCCN2c2cc(NC)ncn2)CC1 1539467354 RVDJXDKTDAVWLJ-LJQANCHMSA-N 479.633 2.042 30 10 JEEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCC2(CC1)C[C@H]2C(=O)NCC1CC1 1539577350 IFYXTTNWIFFHGX-INIZCTEOSA-N 479.423 2.458 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(C(=O)NCCCOC)CC1 1539595816 GGFNPNHGBOPUEI-QGZVFWFLSA-N 470.412 2.450 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1CCCN(Cc2ccccc2)C1 1539704801 IZWLGMVKMRCBCM-FGZHOGPDSA-N 488.658 2.288 30 10 JEEE C=CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1539990465 KXVPQIWJNRUZGF-UHFFFAOYSA-N 454.531 2.449 30 10 JEEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1540019483 JDGALHUZNNVJFB-IBGZPJMESA-N 454.579 2.002 30 10 JEEE C=CCCOCCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1540038194 XKIPNOMIEBZASG-NRFANRHFSA-N 491.614 2.244 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCC(C#N)CC1 1540869549 PTJDUUGFURFHSC-UHFFFAOYSA-N 460.542 2.107 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCC[C@@H]1c1nncn1C 1540900671 DFUQZXOBXPJQLI-QGZVFWFLSA-N 457.560 2.025 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CCN1CCC[C@@H]1C 1541670866 HOSQMRILFWGFPH-NRFANRHFSA-N 478.645 2.485 30 10 JEEE CCN(CC)C(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCC(=O)N(C)C)CC1 1547418277 AMAMLTHRXDBRTP-UHFFFAOYSA-N 466.590 2.269 30 10 JEEE CCS(=O)(=O)Nc1ccc(S(=O)(=O)N(CCOC)Cc2ccc(C#N)cc2)cc1F 1561217393 BSFHAZQCDWQABA-UHFFFAOYSA-N 455.533 2.296 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc(OC)c(O)c1 1587613993 ATFCZIMWIVKIRO-OAHLLOKOSA-N 454.556 2.459 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCN(c2ccccc2OC)C1 1587640792 VHYOAIHXVPCKPS-OTWHNJEPSA-N 457.600 2.173 30 10 JEEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1C[C@H]1CN(Cc2ccccc2)CCCO1 1587662501 NVCBXOCPGXGHGA-RBBKRZOGSA-N 450.587 2.150 30 10 JEEE C#CCCCCn1c(COc2cccc(C)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1587783788 XWCMHTKAFGHINE-FQEVSTJZSA-N 450.543 2.442 30 10 JEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(c2nc(-c3ccccn3)no2)CC1 1587807984 LUXNYIUAUMUFGX-MRXNPFEDSA-N 484.586 2.131 30 10 JEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc2c(c1)C(=O)N(C)CC2 1587829921 ACXGHGQGADKRRZ-IBGZPJMESA-N 454.552 2.407 30 10 JEEE C#CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(C(=O)C(C)C)CC1 1587847913 WHPTWPYLHIFSSX-UHFFFAOYSA-N 461.570 2.393 30 10 JEEE C#CCN(c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(C)CC1)[C@H]1CCS(=O)(=O)C1 1588058866 DSTXMBDIYPDOHV-ROUUACIJSA-N 493.630 2.013 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2C[C@@H]2CN(CC(C)C)CCO2)CC1 1588955452 XNPOIKFFXSZDEK-QHCPKHFHSA-N 470.662 2.333 30 10 JEEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)C[C@@H]1CCOC1 1589007742 PYYGMIWQHSEEQR-KRWDZBQOSA-N 463.629 2.035 30 10 JEEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2cc(F)cc(F)c2C1 1593746852 OOATVIFVIIRINX-HXUWFJFHSA-N 497.568 2.045 30 10 JEEE C=C(Cl)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCCN(S(C)(=O)=O)CC1 1593884132 CMUMEQCNHLXNPH-KRWDZBQOSA-N 453.952 2.015 30 10 JEEE C=C(Cl)Cn1c(Cc2cccnc2)nnc1N1CCN(CC(=O)NCc2ccccc2)CC1 1593894706 DSLNLWAGMSZAQM-UHFFFAOYSA-N 465.989 2.455 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1595490504 UMCKAEMJZXNGSK-SFHVURJKSA-N 476.585 2.331 30 10 JEEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](Cc2ccccc2)C1 1595577636 ZHGGNHKDLNCDJH-IBGZPJMESA-N 480.594 2.020 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1595595733 YPQSYQIFYIVMNG-SJORKVTESA-N 470.599 2.129 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1595765489 BHTAWCFFNCERRU-DOTOQJQBSA-N 497.463 2.320 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@@H](CNC(C)=O)C1 1595788411 ABZUUDCXARSGQN-SFHVURJKSA-N 470.599 2.380 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1595821422 BNMNTLCWHBZALL-LEWJYISDSA-N 476.599 2.151 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CCCN1CCCC1 1608562226 ASUFCABYJDHQHK-UHFFFAOYSA-N 468.581 2.240 30 10 JEEE N#Cc1ccc(OCc2nnc(N3CCC(OCC(N)=O)CC3)n2CC[C@@H]2CCCCO2)cc1 1620351822 GWCDFBCGIZNHDQ-IBGZPJMESA-N 468.558 2.159 30 10 JEEE CCC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)NC2CC2)CC1)OC 1649633973 CWBFJLMJSHUIRT-OAQYLSRUSA-N 451.575 2.032 30 10 JEEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)c1cc(C(F)(F)F)nn1C 1666115786 BBFLAJPYSVOYTN-UHFFFAOYSA-N 450.483 2.462 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1CN1CCCCC1 1689826001 GRSCLPJOPNGOFW-MOPGFXCFSA-N 458.632 2.380 30 10 JEEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1C[C@@]1(C)COCCO1)[C@H]1CCS(=O)(=O)C1 1689979742 GQTGIIPKXQEDKX-IMSXRSKXSA-N 472.611 2.252 30 10 JEEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1ccc(OC)c(OC)c1OC)[C@H]1CCS(=O)(=O)C1 1689980043 KSBIHVRKTAOZNE-WMZOPIPTSA-N 476.599 2.492 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2ccccc2F)n1CCN1CCCS1(=O)=O 1690032412 AWCUYQROEMYERZ-SFHVURJKSA-N 459.547 2.056 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1C[C@@H](C)N1CCN(c2ccccc2)CC1 1690104257 RCHXBPJSFBWXPW-YADHBBJMSA-N 452.603 2.079 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1csc([C@@H](C)OC)n1 1690265689 SKTPDQYXDTURHM-WBVHZDCISA-N 484.648 2.226 30 10 JEEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ncc(Cl)cc2Cl)CC1 1690274853 GHRGDTOHNJNMRW-CYBMUJFWSA-N 474.418 2.493 30 10 JEEE C=C(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1690277188 HJCOFSOWJXLREK-UHFFFAOYSA-N 470.530 2.068 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC(O)(c2ccccc2Cl)CC1 1690668823 KOZPTPXFQGKDQP-UHFFFAOYSA-N 453.934 2.179 30 10 JEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1705527270 YKBRDSDWONTFAW-AXHZCLLHSA-N 487.626 2.382 30 10 JEEE C#CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCC(C(=O)NCC#C)CC1 1705531362 GYQRMDWLBFVKHN-UHFFFAOYSA-N 485.592 2.444 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CCc1ccc(N(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 1705570857 UNXHBUJLBKOLLR-HSZRJFAPSA-N 478.622 2.199 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2Cc2conc2COC)CC1 1705636198 BDXMMDZJYZELTL-UHFFFAOYSA-N 466.542 2.290 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H](c2ccco2)N(C)C)CC1 1705645473 VGDGSUKNYFAMIE-HFZDXXHNSA-N 498.628 2.180 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](C)Cc2cccs2)CC1 1705647834 MLIFJZBGVNSZJL-QFBILLFUSA-N 454.600 2.135 30 10 JEEE C#CCSCCn1c(Cc2ccsc2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1705664348 ZLQZRYGINYDODQ-GOSISDBHSA-N 467.686 2.405 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC[C@](C)(CC)O1 1705716571 OHUVBIYGKKYILL-WFXMLNOXSA-N 455.625 2.361 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@H]2C[C@H]1CO2 1705902404 DGTIKBMOURHEKR-BZSNNMDCSA-N 460.579 2.062 30 10 JEEE Cc1ccc(SCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CCCN2S(C)(=O)=O)cc1 1707567350 HZUGJFVWXURCIC-MSOLQXFVSA-N 476.628 2.032 30 10 JEEE CN(C)CCN1CCC(Cn2c(-c3cnn(C)c3)nnc2N(C)Cc2cccc(C#N)c2)CC1 1711012678 CRGVSMMWJLMZGN-UHFFFAOYSA-N 461.618 2.460 30 10 JEEE COCCC1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@H](C)CC#N)CCCCC1 1712338009 AASBJIRUDVCQBY-MOPGFXCFSA-N 482.651 2.336 30 10 JEEE C[S@@](=O)C1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(CC(F)(F)F)CC2)CC1 1712713528 CGZDSMKKRWHJEB-WJOKGBTCSA-N 452.506 2.412 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@]1(O)CCSC1)[C@@H]1CCS(=O)(=O)C1 1722360329 SXEDREYNYSPUKU-IERDGZPVSA-N 498.577 2.041 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2ccccc2F)n1Cc1snnc1C)[C@@H]1CCS(=O)(=O)C1 1722366801 SMNBZEBXAJITRT-HZPDHXFCSA-N 490.586 2.392 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCC(=O)N1CCOCC1 1722389504 JCMUFEKNEMIRJP-IBGZPJMESA-N 453.518 2.269 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1722453610 ZOGLOAYHMTZAQS-UHFFFAOYSA-N 492.609 2.100 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1722509308 XAIXQOMFLZBLLD-NZQKXSOJSA-N 482.633 2.097 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC2(CCN(C)C2=O)CC1)C(C)C 1722664670 FINSKIIISBXQPC-LEWJYISDSA-N 483.661 2.377 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCCN(c2ccccc2C#N)CC1 1722729126 FYTXWBSNCLDHQD-UHFFFAOYSA-N 491.621 2.453 30 10 JEEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1722732244 IZQCIRLMSMSIKS-LPHOPBHVSA-N 476.628 2.257 30 10 JEEE CC(C)CN1C[C@@H]2CN(c3nnc(COc4ccc(C#N)cc4)n3CCC(C)(C)O)CCN2C1=O 1723446090 ALLDVFCSWRZWMG-FQEVSTJZSA-N 481.601 2.472 30 10 JEEE CC(C)OCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCOC[C@@H]2C)CC1 1723729563 GWMNIRQBPHIFEP-NRFANRHFSA-N 467.618 2.084 30 10 JEEE CC1CCN([C@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CCS(C)(=O)=O)CC1 1726591487 FMZXXBAQPVLVQQ-LJQANCHMSA-N 474.631 2.330 30 10 JEEE CC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1726626816 DTUZXXZDWNCQSM-IBGZPJMESA-N 458.588 2.247 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCCS(=O)(=O)c1ccccc1 1740531285 IYRRFPYRWLZWIR-QGZVFWFLSA-N 452.540 2.247 30 10 JEEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1740565952 MBXUNYHAFIMQAH-XLIONFOSSA-N 455.584 2.115 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@H](C)Sc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1740622636 ZXRFCICWGJZTHX-PKOBYXMFSA-N 470.624 2.486 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@H]1CSCCS1)[C@H]1CCS(=O)(=O)C1 1740623607 XSEVIYUQJGBRPW-IRXDYDNUSA-N 463.654 2.124 30 10 JEEE C#CCN(c1nnc(COCC)n1CC1=CCN(C(=O)OC(C)(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 1740628792 UMOPDZDZWYIUQU-LJQANCHMSA-N 493.630 2.009 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1csc(C(C)(C)C)n1 1740649616 YLKBEAGVQCXPQJ-MRXNPFEDSA-N 462.645 2.348 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1740749830 FYDZRDXXZHTZBW-OALUTQOASA-N 458.607 2.190 30 10 JEEE C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1740777669 WVHAZHJYGHQQSI-UHFFFAOYSA-N 485.545 2.152 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](c2ccccc2)N(C)C)CC1 1740825937 VJDGBWUGHFMXIB-NHCUHLMSSA-N 474.631 2.070 30 10 JEEE C=CCC(C)(C)Cn1c(Cc2ccccn2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1740849542 MLPZCGJJOXWNGZ-UHFFFAOYSA-N 465.602 2.137 30 10 JEEE C=CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1740891484 CDCNXGSSIHWGGN-JPYJTQIMSA-N 456.595 2.442 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2cc(C)nc(C(C)C)n2)CC1 1740960022 JCDJHLBYKFOOND-LJQANCHMSA-N 468.606 2.023 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1740960886 FDZIVXJHIGLJNW-UHFFFAOYSA-N 496.959 2.454 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1740989154 BRNXGVUFHHQXHF-GOSISDBHSA-N 474.562 2.095 30 10 JEEE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3ccc(C#N)cc3)n2CCN2CCN(C)C(C)(C)C2)C1 1741015899 DFHNPQOIMFUZRU-QFIPXVFZSA-N 478.645 2.147 30 10 JEEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cnn(Cc2ccccc2)c1 1741801769 CIUYXAJFZWLHBG-XLIONFOSSA-N 453.572 2.212 30 10 JEEE CCNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(S(=O)(=O)CC)CC1 1746481047 CKQBFSYMMALEHR-UHFFFAOYSA-N 472.615 2.383 30 10 JEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cnn2ccccc12 1748789558 MMRRKISTQLOKFA-LJQANCHMSA-N 451.531 2.352 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@@H]1CCC[C@@H](O)C1)[C@@H]1CCS(=O)(=O)C1 1748818483 BWPVHUVEQFCCHG-KZNAEPCWSA-N 478.565 2.325 30 10 JEEE COc1ccc(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@H](C)CS(C)(=O)=O)cn1 1748826384 ACFSOUFFBWKNAX-MRXNPFEDSA-N 470.555 2.050 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCCC=C)CC1 1749008878 IDUXHVCGYGMZKM-UHFFFAOYSA-N 459.554 2.124 30 10 JEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC(NC(=O)NC2CCCCC2)CC1 1749019945 GOOGWLMAFXQLMO-UHFFFAOYSA-N 475.663 2.383 30 10 JEEE C=C(C)COCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H]2CCCN2C[C@H]1C 1749216858 UYCHUIWTAWLXRS-TZIWHRDSSA-N 488.658 2.461 30 10 JEEE C=CC[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1)c1ccccc1 1749383304 VATLCBXZZVLABA-OAQYLSRUSA-N 490.612 2.212 30 10 JEEE C=CCN(CC=C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@]1(O)CCO[C@H]1C 1749573565 PJVBPKAWOKTFHC-BXKMTCNYSA-N 450.543 2.393 30 10 JEEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1749609184 GIRMHNGMJYFOGC-UHFFFAOYSA-N 472.615 2.363 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@](C)(O)CCOC)C1 1749712149 FITTTXMYFSPANQ-IMWIBFENSA-N 495.621 2.155 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCN(C(=O)OCC(C)C)CC1 1749730107 ZPEJKNHUXAIERE-UHFFFAOYSA-N 491.614 2.469 30 10 JEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](c2nc(C)cs2)C1 1749737878 ABIPLRWIBSRSAN-QGZVFWFLSA-N 478.644 2.150 30 10 JEEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1749741273 VTMDFZFRYYNISX-UHFFFAOYSA-N 470.603 2.182 30 10 JEEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1760157348 MMKSPXLWLCXXHG-OAQYLSRUSA-N 466.634 2.076 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CCc1cn[nH]c1)[C@H]1CCS(=O)(=O)C1 1760183991 SIDIYFMWDMCCRT-FQEVSTJZSA-N 498.609 2.333 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@H]1CCCCN1CC)[C@H]1CCS(=O)(=O)C1 1760191039 ZREQGDFKIQLPEZ-UXHICEINSA-N 461.657 2.432 30 10 JEEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1760277752 SFBCROLNJKGJRU-FQEVSTJZSA-N 470.624 2.187 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccn2C)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1760317827 AZQFHKLEXWXCQU-JTAQYXEDSA-N 469.634 2.302 30 10 JEEE C=CCN(CC=C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCOC[C@H]1OC 1760493860 DCAHBOQNGZLNEO-FXAWDEMLSA-N 450.543 2.422 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1760520516 QFYMHVGZNAMTLA-UHFFFAOYSA-N 468.455 2.281 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 1760522847 ZPKFKVUXEAFOML-PXNSSMCTSA-N 498.584 2.444 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@H](COC)C1 1760551705 PBMBGDUNPKHGIC-HNNXBMFYSA-N 458.943 2.190 30 10 JEEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)NC(=O)OC(C)(C)C)CC1 1760606735 KZJKZTFRVUWWTE-MRXNPFEDSA-N 453.547 2.398 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 1764187264 HOLLBVPAXGJOHY-SFTDATJTSA-N 495.584 2.091 30 10 JEEE CCN(C[C@H]1CCCO1)c1nnc(COc2ccc(C#N)cc2)n1CCN1CCOC[C@H]1C 1765171987 FRLURWMCHNLAPT-DENIHFKCSA-N 454.575 2.455 30 10 JEEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2Cc2cccc(C(F)(F)F)n2)CCOC1 1765921391 DRUQGIMWJAPHIE-DNVCBOLYSA-N 452.437 2.121 30 10 JEEE C=CCN(CC=C)C(=O)NS(=O)(=O)c1ccc(CCNC(=O)COc2ccccc2)cc1 1858983463 PMEZRBAZEHASNF-UHFFFAOYSA-N 457.552 2.497 30 10 JEEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1cccc([N+](=O)[O-])c1 1862740069 NXUQPFIUYOCFPN-SFHVURJKSA-N 454.395 2.217 30 10 JEEE COc1cc([C@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2CCCO)cc(OC)c1O 1862742313 BISVYYLCJCAAOO-SFHVURJKSA-N 458.423 2.278 30 10 JEEE C=CCOc1ccccc1[C@H]1C(C(=O)N2CC(O)C2)=C(N)Oc2c1c(C(F)(F)F)nn2CC 1865224794 CDDXUZQCLFRHCO-OAHLLOKOSA-N 464.444 2.384 30 10 JEEE C[C@H](NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1)C(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O 1866871228 CNRGQQVVOLMUDP-LIRRHRJNSA-N 479.562 2.394 30 10 JEEE CCOC(=O)N1CCN(C(=O)C(C)(C)NC(=O)C2CCN([C@@H](C#N)c3cccs3)CC2)CC1 1868774579 KZTUWCHYDIUFKM-SFHVURJKSA-N 475.615 2.220 30 10 JEEE COCCN(CCOC)C(=O)[C@@H](NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(C)C 1868782220 FKUHOQCPODFEQC-CTNGQTDRSA-N 464.632 2.287 30 10 JEEE CC(C)C[C@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)NC[C@H](c1ccc(O)cc1)N(C)C 1869933696 MNEPFDLIJTTYOG-VQTJNVASSA-N 458.584 2.265 30 10 JEEE COCCCN1C(=O)c2ccc(C(=O)Nc3c(C#N)nnn3Cc3cccc(OC)c3)cc2C1=O 1870107001 NMFIKSRJJNZCJP-UHFFFAOYSA-N 474.477 2.091 30 10 JEEE C=CCn1cc(OCC(=O)OCCOC)c(=O)cc1CN1CCN(C/C=C/c2ccccc2)CC1 1870476222 HZNCAVZLXHDGNK-JXMROGBWSA-N 481.593 2.434 30 10 JEEE Cc1cc(N2CCN(C(=O)[C@@H]3SCC(=O)N(C(C)C)[C@H]3c3ccc(C#N)cc3)CC2)ncn1 1889547120 UJPVCCSEUZIFFH-XZOQPEGZSA-N 464.595 2.399 30 10 JEEE CN1CCN(CC#CCOC2CCN(C(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)CC2)CC1 1890223138 OTROVGXNDQILPH-UHFFFAOYSA-N 468.476 2.486 30 10 JEEE CC(C)(C)OC(=O)N[C@@]1(C(=O)N[C@@H](C(=O)O)C(C)(C)S)CCN(Cc2ccccc2)C1 2019067273 KXZAWRZTAOHDSZ-AOMKIAJQSA-N 451.589 2.434 30 10 JEEE C#CCNS(=O)(=O)c1ccc(C(=O)NCCN2C(=O)SC(=Cc3ccc(C)cc3)C2=O)cc1 2042449503 XHXGXDNTTJCAAP-UHFFFAOYSA-N 483.571 2.373 30 10 JEEE CC1(C)OB(c2cc(C(=O)N[C@@H]3CCCN(C(=O)OCc4ccccc4)C3)[nH]n2)OC1(C)C 2247827263 GOJHDDNFDUZPLF-QGZVFWFLSA-N 454.336 2.240 30 10 JEEE CC1(C)OB(c2cc(C(=O)N[C@H]3CCOC[C@@H]3NC(=O)OCc3ccccc3)ns2)OC1(C)C 2255833516 DYOFGRYPAPBCRN-WMZOPIPTSA-N 487.387 2.256 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CC[S@@](=O)(=NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2255853857 VJJIIKAOQXHIRY-PSKUBERUSA-N 453.370 2.219 30 10 JEEE C[C@@H](c1cscc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)[C@@H](CO)NC(=O)OC(C)(C)C 2256624236 LMCXUVBVFKDAKG-XJKSGUPXSA-N 454.398 2.452 30 10 JEEE Cc1csc(CN(C)C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2256625029 QXLYEIVHJRWCET-AWEZNQCLSA-N 454.398 2.200 30 10 JEEE CO[C@@H]1C[C@@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)s2)N(C(=O)OC(C)(C)C)C1 2256627036 QVGAJWXBBWMGHG-OLZOCXBDSA-N 453.370 2.405 30 10 JEEE COC[C@]1(NC(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)CCN(C(=O)OC(C)(C)C)C1 2267195084 ILSZICHQDAZROO-QFIPXVFZSA-N 450.341 2.335 30 10 JEEE Cc1cc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2O)sc1B1OC(C)(C)C(C)(C)O1 2267229556 AHLYGSRDOOWTJG-GJZGRUSLSA-N 466.409 2.456 30 10 JEEE CN(CC(C)(C)CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)C(=O)OC(C)(C)C 2267457389 PADQUFRUEFKODL-UHFFFAOYSA-N 450.389 2.342 30 10 JEEE Cn1cc(C(=O)N2CCC[C@H](CNC(=O)OCc3ccccc3)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2267522777 YOXDNZVMQGTFMX-LJQANCHMSA-N 482.390 2.498 30 10 JEEE C[C@H](N(Cc1ccccc1)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C)C(C)(C)O 2267717261 ACOGASRKNYUMDJ-INIZCTEOSA-N 463.409 2.070 30 10 JEEE COC1(C(=O)N[C@@H](C)c2nscc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2268671695 NFPZNZBVZUFJKG-ZDUSSCGKSA-N 467.397 2.255 30 10 JEEE COc1ccc(NC(=O)[C@H](O)CCNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2268712874 XQSLVJMIZLAKPB-QGZVFWFLSA-N 450.341 2.209 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](OCC(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C1 2268718443 RCMCEQQNBPXOTQ-CQSZACIVSA-N 467.397 2.085 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1COCCN1C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2281790243 SGCAAVMNNNWQHL-INIZCTEOSA-N 464.343 2.491 30 10 JEEE Cc1cc(C(=O)N2CCOCC23CN(C(=O)OC(C)(C)C)C3)oc1B1OC(C)(C)C(C)(C)O1 2281975832 SNRPPZUVRXVRNZ-UHFFFAOYSA-N 462.352 2.349 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CC[C@H]1CO 2282174680 HDJXFOHRSOXYLG-HKUYNNGSSA-N 460.380 2.334 30 10 JEEE C[C@@H]1C[C@@H](CNS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CN1C(=O)OC(C)(C)C 2282354138 MVDOJQJEWKXXAI-CVEARBPZSA-N 481.424 2.305 30 10 JEEE CO[C@@H]1CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)c(F)c2)C[C@@H]1NC(=O)OC(C)(C)C 2282472927 DUDWKVUVWDXCTN-ZWKOTPCHSA-N 464.343 2.489 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC[C@H]1CCCN(C(=O)OC(C)(C)C)C1 2282484078 GUXTVYGAMKFTSU-MRXNPFEDSA-N 462.400 2.486 30 10 JEEE Cn1nc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC3(CC3)C2)cc1B1OC(C)(C)C(C)(C)O1 2282613944 FFMOKVPLBSJVNI-OAHLLOKOSA-N 460.384 2.239 30 10 JEEE CO[C@@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)[C@@](C)(CNC(=O)OC(C)(C)C)C1 2282645570 JWWJOVHCJWRBIM-QMHKHESXSA-N 463.384 2.458 30 10 JEEE CN(C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1)[C@]1(CNC(=O)OC(C)(C)C)CCOC1 2282685783 KEBIPUDCPDPSJB-QHCPKHFHSA-N 461.368 2.137 30 10 JEEE C[C@H](O)CN(CCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1O)C(=O)OC(C)(C)C 2282981204 BYTCDIZNLCQNBM-HNNXBMFYSA-N 464.368 2.039 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCOC[C@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1O 2282989378 FCRWFWWYRKNMHF-DLBZAZTESA-N 462.352 2.103 30 10 JEEE Cc1cc(S(=O)(=O)N[C@@H](COCc2ccccc2)C(=O)O)ccc1B1OC(C)(C)C(C)(C)O1 2284396968 ZXVMLAGSFYJCMJ-FQEVSTJZSA-N 475.372 2.243 30 10 JEEE Cn1c(=O)nc(O)c2c1nc(NN=Cc1cc(Br)ccc1O)n2C[C@H](O)c1ccccc1 2327754013 NUTPIUCUABNLSB-INIZCTEOSA-N 499.325 2.483 30 10 JEEE COc1cc(C=Nn2c(SCC(N)=O)nnc2[C@H]2CC(=O)N(C(C)(C)C)C2)cc(Cl)c1O 2327842453 BHWUIMKFIDEYGY-LBPRGKRZSA-N 480.978 2.220 30 10 JEEE CC(C)(C)OC(=O)N1CC(F)(F)[C@@](C)(NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2336409043 ZAYMPPAXIMCETC-IBGZPJMESA-N 456.299 2.083 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H]2CCC[C@@H]12 2362338780 UEZSTWSKHSOHLF-ARFHVFGLSA-N 460.384 2.237 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@]12CC[C@@H]1CN(Cc1ccccc1)C2 2362347832 KJJAUTLQEGLNAA-KBMIEXCESA-N 450.392 2.361 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 2362350750 WABYEUILYODZOC-QHCPKHFHSA-N 460.384 2.192 30 10 JEEE COc1nc(N2C[C@H](NC(=O)OC(C)(C)C)[C@H]3COC[C@@H]32)ccc1B1OC(C)(C)C(C)(C)O1 2365348477 QXKCHUVJHJZWLM-PVAVHDDUSA-N 461.368 2.118 30 10 JEEE Cc1cc(CN2CCN(C)C[C@@H]2CNC(=O)C(F)(F)F)ccc1B1OC(C)(C)C(C)(C)O1 2369726711 GPBDQJABFDJHCV-KRWDZBQOSA-N 455.330 2.089 30 10 JEEE COCCSc1nnc(NC(=O)CSc2n[nH]c(N/N=C/c3cccc([N+](=O)[O-])c3)n2)s1 21036914 OTCJMPBFNMZHPL-CAOOACKPSA-N 495.572 2.480 30 10 JEEE C=CCN1C(=O)N[C@H](c2ccc(OC)cc2)C(C(=O)OCC)=C1CN1CCN(C(=O)C2CC2)CC1 36026065 HNYUNSUJRLGREG-HSZRJFAPSA-N 482.581 2.319 30 10 JEEE CC(C)(C)N1C[C@H](C(=O)[C@@H](C#N)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)CC1=O 916948846 IDDKKQVQJRMGDN-VQIMIIECSA-N 474.583 2.156 30 10 JEEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C\c1ccccc1 1148506283 WAAOLIFIFOBGDM-QCMGWVIVSA-N 452.598 2.090 30 10 JEEE C=CCN(C(=O)[C@@H](Cc1cccc(OC)c1)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1264995624 NFRJPPFUOAAJJM-PKOBYXMFSA-N 452.573 2.333 30 10 JEEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(CC(C)C)C(=O)C1 1286314399 CFVGCIPDQXVQEC-UHFFFAOYSA-N 486.642 2.304 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC[S@](=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1286383793 ODSWGLCOSFCEBE-UPTQXZAWSA-N 493.611 2.027 30 10 JEEE C#CCN(c1nnc(-c2nnc(O)c3ccccc23)n1CC(C)(C)COCC)[C@H]1CCS(=O)(=O)C1 1286390126 XOSYJRRURMVPRE-KRWDZBQOSA-N 498.609 2.283 30 10 JEEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1C[C@@H]1CCC[C@@H](O)C1)[C@@H]1CCS(=O)(=O)C1 1286394687 JXNMFTUQHUIBOZ-VAMGGRTRSA-N 488.610 2.044 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CC1(COC)CCCCC1)[C@H]1CCS(=O)(=O)C1 1286396820 WPOQMQGXAJALKA-PMACEKPBSA-N 464.632 2.396 30 10 JEEE C#CCN1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@@H]2CCCN2CCCO)CC1 1286484172 JPOBFYHBEGXNOQ-QFIPXVFZSA-N 468.671 2.481 30 10 JEEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1286541979 PHQFNOXGOYFORL-HNNXBMFYSA-N 486.436 2.070 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2c[nH]c3ccccc23)nnc1N(C)CCNS(C)(=O)=O 1286561239 MKLNDBXPXYDBFM-OXQOHEQNSA-N 458.588 2.393 30 10 JEEE C=CCC(C)(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CCS(C)(=O)=O 1286670542 KACHNLFXRFMUSI-UHFFFAOYSA-N 458.588 2.275 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(CC)CC1 1286815411 UJZMKPQKRLQUGL-UHFFFAOYSA-N 495.671 2.423 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCN(C3CCC(C)CC3)CC2)nnc1[C@]1(OCC)CCOC1 1286824779 IPOFLWGDEWKDHM-VUNKPPBISA-N 495.690 2.232 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)NCc3ccc(S(=O)(=O)NCC(C)C)cc3)cc2C1=O 1295852221 LWUBQAMWWSTEFF-UHFFFAOYSA-N 455.536 2.333 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCNC(=O)c1ccco1 1300584135 QXEJLSHTLDZQSS-IBGZPJMESA-N 496.568 2.072 30 10 JEEE C#CCN(CC)c1nnc(-c2cc(OC)ccc2Br)n1CCN1CCN(C(C)=O)CC1 1300605959 CVJFROIVECISPA-UHFFFAOYSA-N 489.418 2.340 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@H]2NC(=O)CC2(C)C)CC1 1300683968 VGLRURJELHFSKX-FXAWDEMLSA-N 454.550 2.227 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2Cc2ccc(C#N)o2)CC1 1300728960 LMRARIZTAJSAHL-UHFFFAOYSA-N 458.522 2.378 30 10 JEEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(C(=O)NCCC)CC1 1300755919 ANHWERXYRJPUEU-UHFFFAOYSA-N 493.637 2.301 30 10 JEEE C=C(Br)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1300832889 QUOZPVOIYHIHTG-KRWDZBQOSA-N 487.402 2.298 30 10 JEEE C=C(C)COCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(NC(=O)C(C)C)CC1 1300980875 OFBABINUGFBWJF-UHFFFAOYSA-N 479.589 2.255 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCC(C)(C)COC)CC1 1301087140 VQWOADAXMGTYIJ-GOSISDBHSA-N 455.625 2.220 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C)[C@@H](OC)C1 1301150900 DDAIEPUDZILQOU-BZSNNMDCSA-N 455.625 2.075 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(CCS(C)(=O)=O)C1CC1 1301485549 XUNRRNDQUXYRHF-OAHLLOKOSA-N 477.656 2.447 30 10 JEEE C=C(Cl)C[C@H](NC(=O)c1cc(S(=O)(=O)NC)ccc1Br)C(=O)OCC 1302418144 DLKGOBHZXNQOMO-ZDUSSCGKSA-N 453.742 2.161 30 10 JEEE Cc1cc(C)n([C@@H]2CCCN(c3nnc(-c4cccc(C#N)c4)n3CCNS(C)(=O)=O)C2)n1 1304733097 HSUCQTJPDUUYMZ-HXUWFJFHSA-N 468.587 2.021 30 10 JEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCc2ccccc2CS(C)(=O)=O)cc1 1310132485 TVNXGTWIBYUNTJ-UHFFFAOYSA-N 451.570 2.359 30 10 JEEE CCN1CCN([C@H](C)Cn2c(C3CCN(c4ncccn4)CC3)nnc2N(C)[C@@H](C)CC#N)CC1 1313926577 DSJJQXSFRBNJFB-LEWJYISDSA-N 480.665 2.216 30 10 JEEE CCOC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)C2CC2)C1 1314029671 CQRWZLHLSWQTLU-LJQANCHMSA-N 451.531 2.058 30 10 JEEE CCOCc1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CCC1(O)CCOCC1 1314373376 AEBNWJFGFTVNIR-UHFFFAOYSA-N 454.575 2.335 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCOCC)[C@@H]1CCS(=O)(=O)C1 1358956119 AOVAZOMPDSUASX-FUHWJXTLSA-N 450.536 2.220 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H](C)N(C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1358965144 OQXJJIKSEOLGIN-OFNKIYASSA-N 478.622 2.416 30 10 JEEE C#CCN(c1nnc(COCC)n1CC1(c2ccc(F)cc2)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1358967500 LSAQNTTXJBQKKA-OAQYLSRUSA-N 490.601 2.329 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(OC)cc(OC)c2)n1Cc1ccc(N2CCOCC2)nc1 1358971937 NQKYMWQOUMKGQH-UHFFFAOYSA-N 472.549 2.315 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(Br)cc3)n2CCNC(=O)C(C)C)CC1 1359038741 IOOGSPOSQHGEEP-UHFFFAOYSA-N 489.418 2.147 30 10 JEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N(C)Cc1cn(C)nc1C(F)(F)F 1359060130 LNGBKYJLRBQSHS-UHFFFAOYSA-N 455.510 2.156 30 10 JEEE C=CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2CCOC[C@H]2C1 1359343553 VPKWGJHYSIKUOQ-RTBURBONSA-N 494.662 2.027 30 10 JEEE C=CCN(C(=O)c1cnn(C(C)(C)C)c1I)[C@H]1CCS(=O)(=O)C1 1456081193 GRURSQAKWGOXII-NSHDSACASA-N 451.330 2.058 30 10 JEEE C#CCn1cc(CNC(=O)CSc2nc3ccccc3nc2N2C[C@H](C)O[C@@H](C)C2)cn1 1467725983 YLPFXKTXWLJIMW-IRXDYDNUSA-N 450.568 2.482 30 10 JEEE CN(C)C(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1503361200 BNABKSYNQCGDLX-XMMPIXPASA-N 462.558 2.171 30 10 JEEE COc1ccc(CCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2CN(CC(C)C)CCO2)cc1 1504230114 BRMTYTWDXLZKNP-GOTSBHOMSA-N 468.602 2.157 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)c1cccc(OC)c1 1507536929 FQMLUHDALFWVOC-YLJYHZDGSA-N 475.615 2.055 30 10 JEEE C#CCCCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)COc2ccc(F)cc2)CC1 1507564654 UIQYOFCIZYPOII-LJQANCHMSA-N 455.534 2.452 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCCOC[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1507629471 UHVOOAYABWETKY-MOPGFXCFSA-N 494.017 2.206 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1CCc1cccc(C(=O)N(C)C)c1)[C@@H]1CCS(=O)(=O)C1 1507634937 RJOHLDQFLAHQGG-OAQYLSRUSA-N 485.654 2.438 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC[C@H]1COCCO1 1507650328 IAUYHYKKSOQUST-PMACEKPBSA-N 457.575 2.271 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CC[S@](=O)C(C)(C)C)CC1 1507739822 KWKKJNWIOZRDFE-YTTGMZPUSA-N 476.672 2.147 30 10 JEEE C#CCSCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCN(C(=O)COC)CC1 1507744697 NMVXGMZFNJCLSJ-UHFFFAOYSA-N 464.595 2.463 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC1(O)CCS(=O)(=O)CC1 1507764426 MEVOHLULQWPVRC-HTAPYJJXSA-N 476.574 2.489 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)OCCOC)n1C[C@]1(N2CCOCC2)CCSC1 1507765224 QQQMEXDPKAIVME-UEVCKROQSA-N 463.648 2.202 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(C(N)=O)nc1 1507773664 VARFAAYPGZYUIM-UQBPGWFLSA-N 495.584 2.121 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1507801930 ZEBYTTXIXTZXRT-ICSRJNTNSA-N 454.579 2.300 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1507803367 BIDFDQILAOWKNN-DHLKQENFSA-N 498.676 2.111 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(=O)COC)CC1 1507809407 UYCQWHNRJVKDPM-YUVXSKOASA-N 475.634 2.473 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 1508086094 XRZVRDPGZLFXPN-IBGZPJMESA-N 465.602 2.041 30 10 JEEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H]1c1ccc(OC)c(OC)c1 1508095341 NREWKUUWUCOUCG-GOSISDBHSA-N 468.558 2.061 30 10 JEEE Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCCCS2(=O)=O)cc1C 1511004500 ATZYMPKEBNQUCX-WOJBJXKFSA-N 459.572 2.170 30 10 JEEE CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCOC(C)(C)C2)C[C@@H]1C 1515923348 FVJJGDQODDEKLD-FQEVSTJZSA-N 467.618 2.370 30 10 JEEE CCNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CSCCS2)CC1 1516014660 APDCSGPBZHITAU-LJQANCHMSA-N 487.655 2.429 30 10 JEEE COCC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCCCC2)CC1 1518657362 FPKDBNRUHZVNFB-UHFFFAOYSA-N 452.559 2.243 30 10 JEEE N#C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccccc2Br)CCO1 1521120881 BTEMVBCTKYBGKS-OAHLLOKOSA-N 468.315 2.465 30 10 JEEE C#CC[C@@]1(C(=O)NC2CCN(S(=O)(=O)C(C)(C)C)CC2)CCCN1C(=O)OC(C)(C)C 1538417171 RVHXEPZYOPDFSB-QFIPXVFZSA-N 455.621 2.488 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1538974112 RZRHDQPQXMFSCA-FUHWJXTLSA-N 490.450 2.447 30 10 JEEE C#CCCCn1c(Cc2ccncc2)nnc1N1C[C@@H](C(=O)OC)[C@H](CNC(=O)OC(C)(C)C)C1 1539127284 FWUGBKSHCNZTIL-WOJBJXKFSA-N 482.585 2.427 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCc1ccc(N(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 1539220463 JONIUDDLTAAVDY-IFMALSPDSA-N 471.627 2.108 30 10 JEEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC(F)(F)C1(OC)CCOCC1 1539237273 BUOURNRBNIQZTC-NRFANRHFSA-N 466.529 2.222 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccc(F)cc2)n1Cc1ccc(N2CCOCC2)nc1 1539278550 GCAJUCXZUQWXAY-UHFFFAOYSA-N 460.513 2.349 30 10 JEEE C#CCSCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1539498320 SAIMEENRBBQEGJ-WMZOPIPTSA-N 458.563 2.480 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(c2ccccc2C#N)CC1 1539517474 OHIMVHBEPUFRJM-FQEVSTJZSA-N 484.651 2.135 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C1CCC(NC(C)=O)CC1 1539633633 ZYOSQZSVGKHKTI-SNPVATIESA-N 479.647 2.045 30 10 JEEE C=CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(CNS(C)(=O)=O)CC1 1539960893 IXEBBEKCIQDRCQ-UHFFFAOYSA-N 499.641 2.314 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@@](C)(C(=O)NC)C1 1540875555 PMJNJECHZXOITB-OAQYLSRUSA-N 481.384 2.429 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@H]2CC[C@H]1C2 1540897510 KVNGLTZHFOHIAF-WMZOPIPTSA-N 463.991 2.451 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN(c2cccc(F)c2F)CC1 1540907378 UWUIBUHYSRPMBM-UHFFFAOYSA-N 451.543 2.436 30 10 JEEE N#Cc1ccc(N2CCC3(CC2)CN(C(=O)CCn2cccn2)C[C@@H]3C(N)=O)cc1C(F)(F)F 1548375753 VBNWQZADBOSIPA-LJQANCHMSA-N 474.487 2.394 30 10 JEEE COc1ccc(OCc2nnc(N3CCC(C#N)CC3)n2CC2(CS(C)(=O)=O)CC2)cc1 1554972419 FZIBBJXMEPOZII-UHFFFAOYSA-N 459.572 2.430 30 10 JEEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCOc1ccc(S(C)(=O)=O)cc1 1587985008 QKISVJDNAPNVKX-UHFFFAOYSA-N 495.609 2.004 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1Cc1ccn(C)n1)[C@H]1CCS(=O)(=O)C1 1588030299 SFIWLMVWNTVXFL-QUCCMNQESA-N 498.609 2.225 30 10 JEEE C#CCN(c1nnc(-c2ccc(Br)cc2)n1C[C@](C)(O)C1CC1)[C@H]1CCS(=O)(=O)C1 1588040801 QUEQGDHLWLALOH-RXVVDRJESA-N 493.427 2.495 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1CCc1cccc(C(=O)N(C)C)c1)[C@@H]1CCS(=O)(=O)C1 1588059749 UDNBQDUJWYJSBY-OAQYLSRUSA-N 471.627 2.048 30 10 JEEE C#CCN1CCN(c2nnc(-c3cnccn3)n2C[C@H]2[C@@H](C)CCN2C(=O)OC(C)(C)C)CC1 1588806214 JTUMTWVXWDIZJV-ICSRJNTNSA-N 466.590 2.136 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCN(CC)CCC)CC1 1588929517 BZMKDHCNXYJKNC-HSZRJFAPSA-N 480.613 2.488 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)N(C)[C@@H](C)c1ccccc1 1589068716 DAMLNFLXKFRKBA-ICSRJNTNSA-N 489.667 2.202 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2csc(N3CCOCC3)n2)n1CCNC(=O)C(C)C 1589197986 NAYSGBBEZZQXOC-JOCHJYFZSA-N 457.604 2.003 30 10 JEEE C=C(Br)Cn1c(CC2CCCC2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1589434645 PCOOUKQOGWLSNM-UHFFFAOYSA-N 479.423 2.190 30 10 JEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 1593763217 DNEWZDJROBLEPV-HXUWFJFHSA-N 472.634 2.468 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCOC1 1595239876 VSZZSBBEYYZRPA-YADHBBJMSA-N 489.642 2.273 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCCN(C)C(=O)OC(C)(C)C)C1 1595664657 IFNYUGVATNPVQU-KRWDZBQOSA-N 450.584 2.455 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1595798048 MBHMXCMMCRTISM-BZSNNMDCSA-N 483.635 2.470 30 10 JEEE CCN1CCN(C[C@@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(NC(C)=O)CC2)CC1 1615881856 HRYHQQFJHLHOGW-HXUWFJFHSA-N 478.645 2.195 30 10 JEEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)CC(=O)N1CCC[C@@H](C(=O)OCC)C1 1631845076 JTVNTPAORHLLJR-QZTJIDSGSA-N 453.580 2.496 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@H](OC)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1689993379 BUNYJECTPVMPKR-ROUUACIJSA-N 465.645 2.322 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@@H]2CCN(CC(F)(F)F)C2)CC1 1690148373 FFHRJOZEKLVRMB-GOSISDBHSA-N 489.546 2.114 30 10 JEEE C#CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC(N(C)C(C)=O)CC1 1690179400 XTFIKYDQTHBSPS-UHFFFAOYSA-N 451.600 2.330 30 10 JEEE C=C(Br)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1690232607 QMYGXOWAMBRRFD-KGLIPLIRSA-N 479.404 2.141 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccc(C)cc2)nnc1N(C)CC(=O)N1CCOCC1 1690252138 AGSRAKOCGGRDBF-HYBUGGRVSA-N 469.586 2.442 30 10 JEEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](CC(C)C)C1 1690313328 QMBAIFHUHAQPOU-OALUTQOASA-N 455.625 2.076 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@H](c2ccccc2C)C1 1690659089 JPQBRAJIGHQHME-FQEVSTJZSA-N 454.575 2.385 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CC[C@H](Cc2ccc(F)cc2)C1 1690722807 WLLROBBHEGGWHY-GOSISDBHSA-N 458.563 2.488 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](c2ccc(F)c(F)c2)C1 1690722828 WVGPYXXIVPMYKJ-IBGZPJMESA-N 478.525 2.136 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1CCNC(=O)c1cccs1)[C@H]1CCS(=O)(=O)C1 1705563993 JCXFYONCLWGRTL-KRWDZBQOSA-N 499.618 2.072 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCO[C@@H]1C(C)C)[C@H]1CCS(=O)(=O)C1 1705567552 YSFVEMFAZWSDSL-IRFCIJBXSA-N 457.600 2.336 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@H]1CSCCS1)[C@@H]1CCS(=O)(=O)C1 1705570330 OVKIMMXAGRCHCV-SJORKVTESA-N 483.710 2.109 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1CCN(C)CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1705571225 WYAMEYOWALWLHQ-IBGZPJMESA-N 483.560 2.298 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CCOC(C)C)CC1 1705693514 HLPIOPFIJULAOY-NHCUHLMSSA-N 460.623 2.042 30 10 JEEE C=CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@H]1CCS(=O)(=O)C1 1705841317 WYAKTLZNAPQAAN-MRXNPFEDSA-N 456.572 2.293 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CCN2[C@@H](C)CC[C@H]2C)CC1 1705898074 ACLOBODEQOUMQQ-KDURUIRLSA-N 487.052 2.291 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 1705931878 DGWRTRGFFKNLQK-LJQANCHMSA-N 488.658 2.359 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCc2c(ccnc2O)C1 1705933839 SSDAHIRZUYZTKA-UHFFFAOYSA-N 455.540 2.218 30 10 JEEE CC(=O)N[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2C[C@H](C)O[C@@H](C)C2)C1 1706026250 ARGQGAGJDRNNEV-SXWKCWPCSA-N 495.628 2.333 30 10 JEEE CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)c2ccsc2)CC1 1709840012 FYPSKMSLMSQBEO-UHFFFAOYSA-N 463.567 2.367 30 10 JEEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC[C@@](C)(O)c1ccccc1 1710734548 HAQIYHQTLRCXNK-KBMIEXCESA-N 476.585 2.489 30 10 JEEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CCN2[C@H](C)CC[C@H]2C)CC1 1710873104 GULPSVQXUSMGLJ-NHCUHLMSSA-N 499.685 2.246 30 10 JEEE N#Cc1ccc(-c2nnc(N3CCS(=O)CC3)n2C[C@@H]2CCN(CC(F)(F)F)C2)cc1 1712880536 BZXXBSKRGVCXDO-MRXNPFEDSA-N 452.506 2.270 30 10 JEEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1Cc1cccc(C(=O)N(C)C)c1 1722300328 YOXQBNUQXBVWRZ-INIZCTEOSA-N 450.568 2.478 30 10 JEEE C#CCCCCn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1722314637 NPQXHKLYGBQATI-IBGZPJMESA-N 461.588 2.281 30 10 JEEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 1722332388 KBBPTDJMWSHNCP-ZWKOTPCHSA-N 483.635 2.259 30 10 JEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1C[C@@H]1NC(=O)CC1(C)C)[C@H]1CCS(=O)(=O)C1 1722360179 RYRDSCIRQBCTNE-ROUUACIJSA-N 476.002 2.140 30 10 JEEE C#CCN(c1nnc(-c2cccc3cccnc23)n1C[C@@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1722362743 OFONERRNEDYTPX-MBSDFSHPSA-N 453.568 2.281 30 10 JEEE C#CCN(c1nnc(CC)n1Cc1cc(OC)ccc1OC(F)F)[C@H]1CCS(=O)(=O)C1 1722365846 GEDGQYYRJJFXJK-HNNXBMFYSA-N 454.499 2.126 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CC(C)(C)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1722369091 VMRYLFXBIQSSRN-WOJBJXKFSA-N 463.648 2.411 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2OC)n1CC1(O)CCS(=O)(=O)CC1 1722392846 NAHZBGXNEQFNBR-UHFFFAOYSA-N 476.986 2.010 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1nccnc1C 1722417886 XKDCHRKDJKMORU-QGZVFWFLSA-N 471.562 2.008 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)s3)n2CC[S@](=O)CC)CC1 1722433847 HZIFDACGTDAHGM-AREMUKBSSA-N 456.435 2.293 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2CCOC2)CC1 1722443447 JKLROWANSJPJQU-CQSZACIVSA-N 461.364 2.038 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1722493524 ZBLOGOXQQZTZSO-OBFMXLEASA-N 474.606 2.469 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)CCNS(C)(=O)=O 1722506382 MICWYZHYZFVAHI-WIYYLYMNSA-N 485.614 2.097 30 10 JEEE C=CCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1722610452 QIWCHQRAANLBFP-FQEVSTJZSA-N 478.601 2.253 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CCN(C(C)=O)C[C@H]1C 1722688587 GOMHPOQULNPZAX-CQSZACIVSA-N 461.364 2.067 30 10 JEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](COc2ccccc2)C1 1722738540 KSQWGQPLSFCMST-ICSRJNTNSA-N 478.640 2.384 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)c(Br)c2)nnc1N(C)[C@H](C)CC(N)=O 1722752145 WUKNVZXUZROLOW-CQSZACIVSA-N 484.420 2.317 30 10 JEEE CC(=O)N1CCC(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(CCC(N)=O)CC2)CC1 1722762371 HTUDCDZPFCYGJA-UHFFFAOYSA-N 493.612 2.469 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(C)(C)N1CCOCC1 1740538767 OWKSXJHUCLHJBR-KRWDZBQOSA-N 473.647 2.115 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1c(Cl)cccc1OC)[C@@H]1CCS(=O)(=O)C1 1740626220 KKBRQJKLOHKKBT-JKSUJKDBSA-N 464.975 2.119 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 1740629322 JNRBWASHTGGMDT-BJLQDIEVSA-N 479.002 2.331 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCC(F)(F)C2)n1 1740688085 AEALYQBHCHISGD-AEFFLSMTSA-N 461.517 2.147 30 10 JEEE C#CCN1CCN(c2nnc(Cn3ccc4ccccc43)n2CCCCCS(C)(=O)=O)CC1 1740698231 AZPSKFAZJUHDPY-UHFFFAOYSA-N 468.627 2.251 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(COCC)cc2)CC1 1740704932 WZISHSOPBHODOT-UHFFFAOYSA-N 461.570 2.229 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](C)N2CCC[C@H](C)C2)CC1 1740705192 CFCIOPKDRCQDJX-TUNNFDKTSA-N 456.635 2.258 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2Cc2ccc(OC)c(F)c2)CC1 1740707301 XHLALNUZACJWLK-UHFFFAOYSA-N 462.529 2.426 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccc(OC)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1740765956 FDNXJNVXCGELEQ-ZUXGEGRZSA-N 486.569 2.207 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC(S(=O)(=O)CC)CC1 1740952222 XXECEVZHNFGLRW-INIZCTEOSA-N 479.578 2.263 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1740952405 CZWRHOYZVMOHQY-JQHSSLGASA-N 456.522 2.107 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCC(NC(=O)C(C)C)CC1 1740964489 PLHOYIDDVCQOFY-UHFFFAOYSA-N 454.575 2.209 30 10 JEEE CC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C(C)C)N2CCOCC2)C1 1741073578 DWYYDPQSORLKNA-DHIUTWEWSA-N 465.602 2.278 30 10 JEEE CO[C@@](C)(Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1)C1CC1 1748367550 DAHVTFVEUZAHPG-MBSDFSHPSA-N 472.615 2.397 30 10 JEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(F)(F)CNC(=O)OC(C)(C)C 1748784533 OQJAVGZLPYXQGV-UHFFFAOYSA-N 497.572 2.468 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCN(CCC)C1)[C@@H]1CCS(=O)(=O)C1 1748821104 LSOWQCQABXPBEP-FGZHOGPDSA-N 496.637 2.087 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccc(C)cc1)N1CCCC1 1748962578 LSEFVAQELSGGOA-GOTSBHOMSA-N 485.654 2.412 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC[C@@](C)(O)c2ccccc2)CC1 1748979277 XFRAQQVZUJBMQT-CLJLJLNGSA-N 467.614 2.372 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(C)(C)N[C@H](C)c2ccccc2)CC1 1748990014 SPIRRNQDKSCTPR-IFMALSPDSA-N 484.670 2.065 30 10 JEEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@H](C(=O)NCCC)C1 1749225648 IEUHPRAPMPXWSN-KRWDZBQOSA-N 458.563 2.341 30 10 JEEE C=CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCS(=O)(=O)CC1 1749398388 FZQILKNCBFVURW-UHFFFAOYSA-N 456.572 2.266 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)OC 1749530963 AQMWHUJEQRTPRD-HXUWFJFHSA-N 488.614 2.100 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1749671918 NTUQYZSDBPXUQV-UHFFFAOYSA-N 483.636 2.305 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2nc(C)c(C)s2)CC1 1749677595 FDOBSTVJTAPFJH-UHFFFAOYSA-N 492.609 2.431 30 10 JEEE COCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2ccccc2C#N)CC1 1749848428 ACJCRWQTWQGOEF-UHFFFAOYSA-N 451.556 2.114 30 10 JEEE CC(C)OCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCC(=O)N(C)C)CC1 1751057218 HLSKZVVIHOVILO-UHFFFAOYSA-N 453.591 2.232 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C(C)C)N2CCCC2)c1 1760128523 KROGFTWMLFBHMD-VXKWHMMOSA-N 477.613 2.406 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1CC[C@@H](N1CCOCC1)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1760181822 BZHCOQFYXCRAQQ-FGTMMUONSA-N 491.580 2.072 30 10 JEEE C#CCN(c1nnc(CC)n1CCCNc1ccc(C(F)(F)F)cn1)[C@@H]1CCS(=O)(=O)C1 1760187632 XIAJUOMZDDCHIK-MRXNPFEDSA-N 470.521 2.383 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2(SC)CCN(C)CC2)CC1 1760255732 OPDQUPLITIDBGL-UHFFFAOYSA-N 469.615 2.436 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2cc(C)no2)CC1 1760266728 KLXKYPYYWWEMRT-UHFFFAOYSA-N 472.347 2.346 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)CC2CCCC2)CC1 1760355902 ABQOWCUPUAYCCK-FQEVSTJZSA-N 458.607 2.441 30 10 JEEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1760357653 KZGGCTSDQZUXOW-SFHVURJKSA-N 455.625 2.015 30 10 JEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1760360172 SYWXTCCSMSOWEQ-GOSISDBHSA-N 462.595 2.439 30 10 JEEE C=CC1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1760397474 UWHPRPMARRLLQC-UGKGYDQZSA-N 467.636 2.003 30 10 JEEE C=CCN(c1nnc(-c2nnc(O)c3ccccc23)n1CCS(=O)(=O)NC(C)C)C1CC1 1760472597 BEGIELYRLNIEFD-UHFFFAOYSA-N 457.560 2.077 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1CCN(C)c2ccccc2C1 1760548739 OBBXVAZUIUMMJH-UHFFFAOYSA-N 474.631 2.254 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CCC(N(C)C(C)=O)CC1 1760558475 PWOMITKCDJWHBJ-UHFFFAOYSA-N 479.578 2.044 30 10 JEEE CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(C(=O)c2ccsc2)CC1 1767814880 GAEAGXWYHHMNTI-UHFFFAOYSA-N 493.593 2.279 30 10 JEEE CNC(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2c(C)nn(C)c2C)C1 1769215773 FGNMYGXLVFAZNW-IBGZPJMESA-N 462.558 2.090 30 10 JEEE CN(CCc1ccncc1)C(=O)NS(=O)(=O)c1ccc(CNC(=O)c2cccc(C#N)c2)cc1 1858661651 MECHJPOYTXAUIX-UHFFFAOYSA-N 477.546 2.456 30 10 JEEE COc1cc(/C=C/C(=O)C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc(OC)c1OC 1860634882 IAUMAAWIZQMHCX-GQCTYLIASA-N 468.506 2.368 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCO)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1F 1862647668 IUODEQJFGHTHTF-IBGZPJMESA-N 461.442 2.431 30 10 JEEE N#C[C@@H](c1cccs1)N1CCC(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC(O)CC2)CC1 1868782988 NRUCWMYLVREBPT-GOTSBHOMSA-N 496.633 2.441 30 10 JEEE CCOc1ccccc1/C=N/Nc1cnn([C@H]2CCS(=O)(=O)C2)c(=O)c1Br 1873527323 UJZZILBPOSBBNA-PFHXIJNMSA-N 455.334 2.210 30 10 JEEE CC(C)(C)OC(=O)N[C@H](Cc1ccc[nH]1)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2180986272 ZLXNFOVNASVELV-MRXNPFEDSA-N 457.340 2.178 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)NCCn1cnc(I)c1 2221419946 GXVMUDJOJYYZNZ-GFCCVEGCSA-N 461.304 2.191 30 10 JEEE Cc1sc(C(=O)NC[C@H](O)CNC(=O)OC(C)(C)C)c(C)c1B1OC(C)(C)C(C)(C)O1 2255601968 LRBQHNKWAJZAQG-AWEZNQCLSA-N 454.398 2.280 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccsc2B2OC(C)(C)C(C)(C)O2)[C@@H](C(=O)O)C1 2267476243 VRVILNBMCQPLCW-CQSZACIVSA-N 466.365 2.193 30 10 JEEE COC[C@H](ONC(=O)OC(C)(C)C)C(=O)NCc1scc(C)c1B1OC(C)(C)C(C)(C)O1 2268637075 AQXYTUYUHWXJFD-AWEZNQCLSA-N 470.397 2.443 30 10 JEEE CC(C)(C)OC(=O)NC1(C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)c2F)CC(O)C1 2268717637 MCWUMUYFSQMPHZ-UHFFFAOYSA-N 450.316 2.482 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC(C2CN(C(=O)OC(C)(C)C)C2)C1 2281972917 QJAGGYURTDIQFI-UHFFFAOYSA-N 460.384 2.141 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H](F)C1CN(C(=O)OC(C)(C)C)C1 2281975866 SZDLMQANWUVUIS-INIZCTEOSA-N 466.363 2.137 30 10 JEEE CN(C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCC[C@H]1CNC(=O)OC(C)(C)C 2281977930 VYTFGBWTJVAFLH-RDJZCZTQSA-N 462.400 2.485 30 10 JEEE C[C@@H]1CN(C(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)C[C@@H](C)N(C(=O)OC(C)(C)C)C1 2281979335 CHZAVLRITPYXBT-HZPDHXFCSA-N 462.400 2.437 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H]2OCCN(C(=O)c3csnc3B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2281997420 BIWIJSOWTKHEOZ-HZPDHXFCSA-N 479.408 2.293 30 10 JEEE CC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)c(C)nn1C 2282557813 AJAPDZCFFZZBMA-MRXNPFEDSA-N 462.400 2.499 30 10 JEEE Cn1cc(C(=O)N(CC2CC2)C2CN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2282592017 XWIUVVKQQXBJSX-UHFFFAOYSA-N 460.384 2.191 30 10 JEEE Cc1nsc(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 2282593195 MZJUOZKPGRCJOC-RRFJBIMHSA-N 479.408 2.115 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2CCO[C@]2(CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)C1 2282627340 MMDQPXCKARAFJM-IQMFZBJNSA-N 462.352 2.335 30 10 JEEE CC(C)(C)OC(=O)N1CC2(COCCN2C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2282665221 NJZNCFZHRRETSB-UHFFFAOYSA-N 458.364 2.448 30 10 JEEE C[C@H]1CN(Cc2ccccc2)C[C@]1(C)CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282691005 CTGKLVTVNMRWLN-XDHUDOTRSA-N 453.396 2.002 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@H](CNC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1(C)C 2282694501 HFBWANQFJDCOSB-ZBFHGGJFSA-N 460.384 2.445 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@]2(NC(=O)c3ncncc3B3OC(C)(C)C(C)(C)O3)C[C@H]2C1 2282708831 RWGFRXMFAYBBEI-WNSKOXEYSA-N 458.368 2.295 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)[C@@H]2COC[C@H]12 2282710295 MSSPLKDEHGGXKC-GUDVDZBRSA-N 458.364 2.350 30 10 JEEE CN(C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282857861 NVQPJMDBDRSOQD-INIZCTEOSA-N 481.424 2.258 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H]2CCN(C(=O)c3nccnc3B3OC(C)(C)C(C)(C)O3)C[C@H]21 2283068413 LZMFBDXWSFVIAF-JKSUJKDBSA-N 458.368 2.247 30 10 JEEE Cn1c(C(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)cnc1CNC(=O)OC(C)(C)C 2283969809 JWILFVKNGMHHHL-UHFFFAOYSA-N 457.340 2.391 30 10 JEEE CC(C)(C)OC(=O)N1CC(=O)NC[C@H]1C(=O)Nc1cc(Cl)ccc1B1OC(C)(C)C(C)(C)O1 2283987702 ZKGMQBHQAAICDF-INIZCTEOSA-N 479.770 2.313 30 10 JEEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)C(=O)[C@]1(NC(=O)OC(C)(C)C)C[C@@H](O)C1 2284063554 RIHYZFUYKXQAJA-OWWJJEGGSA-N 460.380 2.362 30 10 JEEE CCc1nn(C)c(C(=O)NC[C@H]2CC[C@@H]2NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2287575001 TVHMDXNRHRGFGE-ZBFHGGJFSA-N 462.400 2.315 30 10 JEEE COc1ccc(C=C2Oc3c(CN4CCN(CCO)CC4)c(O)cc(C)c3C2=O)cc1OC 2296554313 MUOFIMMYCMHGSU-UHFFFAOYSA-N 454.523 2.444 30 10 JEEE C=CCNC(=O)NS(=O)(=O)c1ccc(CCNC(=O)C=Cc2ccc([N+](=O)[O-])cc2)cc1 2330450690 RVBPNRBTUUTMGR-UHFFFAOYSA-N 458.496 2.141 30 10 JEEE CC(C)N(CCCNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C)C(=O)OC(C)(C)C 2337196416 KSLHSXYXYCXMHC-UHFFFAOYSA-N 450.389 2.485 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC2(C)C)n1C 2362494309 OKCZJIDNRAAHPD-OAHLLOKOSA-N 462.400 2.403 30 10 JEEE COC(=O)c1[nH]c(C)c(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccccc2)c1C 102517914 KYKDIYZJYHOSMQ-NNWMPZTLSA-N 467.522 2.172 30 10 JEEE CC(=O)Nc1cccc(N2C(=O)C(Sc3nc(C)cc(C)c3C#N)=C(N(C)CCO)C2=O)c1 526695185 KLBWOCVPDTVHRS-UHFFFAOYSA-N 465.535 2.330 30 10 JEEE CCc1nnc(NC(=O)C[S@@](=O)CC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)s1 586347652 KHNCKVIURRJONW-UIHBWLLHSA-N 451.599 2.484 30 10 JEEE C=CCNC(=O)CN1CCN(C(=O)COc2ccc(C(=O)c3ccc(Cl)cc3)cc2)CC1 643131203 NDJVPJHKWWEFAE-UHFFFAOYSA-N 455.942 2.396 30 10 JEEE C#CCN(C(=O)CSc1nnc(-c2ccc(F)cc2)n1C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 729331948 RZYUWWUHZRFWHZ-MOPGFXCFSA-N 492.598 2.004 30 10 JEEE C#CCCN1CCN(C(=O)Cc2csc(NC(=O)c3ccc(Br)o3)n2)CC1 1136498861 BREOGGBAJLWOMG-UHFFFAOYSA-N 451.346 2.461 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)N(C2CCCCC2)[C@H]2CCS(=O)(=O)C2)ccc1F 1264546449 TXRZVHQZGLHMDM-KRWDZBQOSA-N 458.577 2.252 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CC1(O)CCS(=O)(=O)CC1 1286282208 LZNLTPMVTPCVOT-QGZVFWFLSA-N 476.599 2.139 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC(C)(C)OC)[C@H]1CCS(=O)(=O)C1 1286382999 UZIJVZXRUKFALB-IBGZPJMESA-N 473.599 2.199 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCc1c(F)cccc1F)[C@H]1CCS(=O)(=O)C1 1286397635 TZNNEFIIZNXLBQ-SFHVURJKSA-N 488.564 2.287 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@](C)(O)C(C)C 1286454243 HXCSIGJISPGZSJ-HRAATJIYSA-N 451.568 2.074 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@]2(OC)CCOC2)CC1 1286474215 AHQTVQZJAMQSRN-NRFANRHFSA-N 460.376 2.268 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC(C)(C)c2ccccn2)CC1 1286485862 BBUHKZBTUBQGIK-UHFFFAOYSA-N 486.580 2.264 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2CCC(=O)NC(C)(C)C)CC1 1286494910 VVBIJISIGFLOPQ-UHFFFAOYSA-N 464.614 2.334 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC(F)(F)C1 1286522583 LSYHYCNWGDXVOD-GPMSIDNRSA-N 457.547 2.039 30 10 JEEE C=C(C)COCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCN(C)C(=O)[C@H]1C 1286606047 FGBRCTZVWDIEHU-GOSISDBHSA-N 479.585 2.325 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cc(OC)c(OC)c(OC)c2)CC1 1286646531 SKAXTENCXCMMIP-QGZVFWFLSA-N 462.572 2.411 30 10 JEEE C=CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC(=O)N1CCOCC1)C1CC1 1286738969 KPZQFOXDZDCKST-CALCHBBNSA-N 460.579 2.062 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC2CC2)n1CC1(O)CCS(=O)(=O)CC1 1286740972 DIFSAYKZCNAKMU-UHFFFAOYSA-N 455.584 2.235 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCCN(C(=O)OCC(C)C)CC2)nnc1C(C)(C)C 1286825403 QOAQNUSHMQGTCS-UHFFFAOYSA-N 455.625 2.481 30 10 JEEE CC(C)(C)NC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1287047273 DPKXHDNKDHIZPV-OAQYLSRUSA-N 495.628 2.192 30 10 JEEE C[C@@](O)(Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1)c1ccco1 1288895753 FMIFVCGYKBGUCZ-FDDCHVKYSA-N 484.582 2.083 30 10 JEEE C[C@H]1OCC[C@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(C)(C)C)CC1 1291322992 DMAHAYLVYXZFTN-KOSHJBKYSA-N 454.575 2.189 30 10 JEEE CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1297274844 FJDVWJNDMFXVOT-WOJBJXKFSA-N 482.633 2.296 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1CC1(C)COC1)[C@@H]1CCS(=O)(=O)C1 1300485127 ULQRMJIHFWHQRI-RBUKOAKNSA-N 488.610 2.480 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CCc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1300499140 PWNUUDQMEQDRTQ-OAQYLSRUSA-N 453.543 2.272 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CC1(SC)CC1)[C@@H]1CCS(=O)(=O)C1 1300504780 RZHXJYPHYWJNCH-GOSISDBHSA-N 471.608 2.251 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1nncn1CC 1300596310 WXDFSYPYSJYHHR-SFHVURJKSA-N 452.563 2.473 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1300606234 JNYKIVSTUVITAK-FQEVSTJZSA-N 453.547 2.256 30 10 JEEE C#CCN(CCOC)c1nnc(Cc2ccsc2)n1C[C@@]1(N2CCOCC2)CCSC1 1300673807 ZYZSLAYZUDXONR-QFIPXVFZSA-N 461.657 2.224 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCCN(C)C(=O)OC(C)(C)C)CC1 1300719485 CPNTXDMSKGBDPA-UHFFFAOYSA-N 469.590 2.496 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1300733217 UGDOBNVJEKKHCJ-MDNUFGMLSA-N 498.672 2.421 30 10 JEEE C=CCCOCCn1c(N2CCO[C@]3(CCO[C@H]3C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1301261445 DTNAMKMDHBWCKY-WWPVKYPJSA-N 450.580 2.296 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC(N(C)C(C)=O)CC1 1301493464 ZLDAUEBJLLZFKJ-UHFFFAOYSA-N 470.574 2.102 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCN(C)c2ccccc2C1 1301587786 UCNQHBRAKVUPQX-UHFFFAOYSA-N 452.584 2.321 30 10 JEEE CCc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CCCN1CCN(CC)CC1 1306192615 CADSYZBADJRPPZ-UHFFFAOYSA-N 454.598 2.205 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1CC(=O)NCC(F)F 1358897234 VTIZWKLESQRHIW-GFCCVEGCSA-N 456.291 2.459 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc(C)o3)n2CCC(=O)N2CCOCC2)c1 1358901719 UVGYFOACTIAVIJ-UHFFFAOYSA-N 476.537 2.152 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCN1CCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1358955533 NSPHTINCJJTLMV-IFMALSPDSA-N 498.653 2.258 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)N(C)Cc1ccccc1 1358994415 MZRBUHPJVMWGST-RBBKRZOGSA-N 453.612 2.164 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(Br)c2)n1Cc1nnc2n1CCC2 1359019355 SGNRXPUYUFLDRG-UHFFFAOYSA-N 456.348 2.380 30 10 JEEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1359057327 WZEYTDGWDPXASO-BDTNDASRSA-N 488.702 2.165 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CC(=O)NC(C)C 1359098291 ZNTUBPAGRYTDHV-HTAPYJJXSA-N 479.585 2.134 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N(C)C[C@H](C)C(=O)NC 1359102679 DSXWIEIHIVRXFE-BXWFABGCSA-N 460.604 2.069 30 10 JEEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](CN2CCOCC2)C1 1359122261 ICIGNZLUQPJVPQ-VQTJNVASSA-N 476.622 2.321 30 10 JEEE C=C(C)COCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(C(=O)OC)CC1 1359128405 SWYYQDAOKFVFMR-UHFFFAOYSA-N 491.614 2.178 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccnc(SCC)c2)CC1 1359165866 YYRJDPNXPUREBA-SFHVURJKSA-N 478.644 2.323 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1359296566 NEMPZVMUFQJPIZ-BVZFJXPGSA-N 485.585 2.429 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3Br)n2CCC[C@@H]2NC(=O)NC2=O)C1 1359317657 NQFKETJPTDZWLO-YOEHRIQHSA-N 489.374 2.477 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1359333744 IJFYQHSXEUCYKO-XLNZFTOWSA-N 490.626 2.251 30 10 JEEE CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)N(CCC#N)CC(C)(C)C)ccc2F)CC1 1360064927 GYSGEIHTXCAQHH-UHFFFAOYSA-N 452.552 2.080 30 10 JEEE C=CCNc1ncc(C(=O)N2CCS(=O)(=NS(=O)(=O)c3ccc(C)cc3)CC2)s1 1468669148 HOQMURPSECHIIF-UHFFFAOYSA-N 454.599 2.362 30 10 JEEE C=CCN1CC[C@@H](N(C)C(=O)Nc2cc(I)cc(C(=O)OC)c2)C1=O 1476353908 NGCPUVUFQRZZRA-CQSZACIVSA-N 457.268 2.328 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1507631455 PTJDOYLKUJIRII-QZTJIDSGSA-N 490.630 2.403 30 10 JEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H]1CCN(CC)C1)[C@@H]1CCS(=O)(=O)C1 1507635521 WQBYLVPLXPECCE-TZIWHRDSSA-N 476.046 2.491 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1occc1C 1507701424 GOBKSMBYBMLWEA-NRFANRHFSA-N 487.557 2.340 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCCc2nc(C)no2)CC1 1507722657 DEAVYICPEXPXCR-UHFFFAOYSA-N 451.531 2.042 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2OCCC2(C)C)CC1 1507737106 YCKVKWPGYLLNLN-NLFFAJNJSA-N 473.618 2.100 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@](C)(O)c2ccc(F)cc2)CC1 1507742066 AHDRZJACHKSNML-SANMLTNESA-N 476.556 2.277 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H](C(C)C)N2CCOCC2)CC1 1507742682 NPWXKKYIOQAPKZ-DEOSSOPVSA-N 496.631 2.331 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@H](NC(C)=O)C1 1508072882 HTVPCWZBAVKAQS-QAPCUYQASA-N 460.966 2.479 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCn2nc(C)nc2C1 1508073444 NEEHLKJPPWTPLE-UHFFFAOYSA-N 475.326 2.069 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H](C)c1ccccc1 1508145778 PGOKVLLEUJXSOQ-PKOBYXMFSA-N 466.629 2.021 30 10 JEEE C=CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1508150664 GFRBCZZMOJCQMU-OAHLLOKOSA-N 457.025 2.431 30 10 JEEE C=CCN1CC[C@@H](N(C)C(=O)c2sccc2S(=O)(=O)N2CCc3ccccc3C2)C1=O 1538451587 LGGOAXPKRYXWPX-GOSISDBHSA-N 459.593 2.354 30 10 JEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 1539053277 OOCZCQMPZLYTHC-LSDHHAIUSA-N 451.515 2.240 30 10 JEEE C#CCN(CCOC)c1nnc(Cc2ccccn2)n1C[C@@H]1C[C@@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1539417824 VOGJXESZNBLHKU-BAGYTPMASA-N 496.612 2.374 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2cc(COC(C)(C)C)on2)CC1 1539431543 VFNZTZBDNYJQTL-DEOSSOPVSA-N 472.590 2.037 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCCN2CCCO[C@H](C)C2)CC1 1539441510 RJTAPDRVMWFHLU-OAQYLSRUSA-N 482.629 2.218 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)c1nc(C)cs1 1539556483 DKKIBIMDUFUKGV-HZUJVAHNSA-N 478.644 2.172 30 10 JEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccc(CN3CCO[C@@H](C)C3)c2)CC1 1539828380 JLNKJYYYAJVQMF-VQTJNVASSA-N 488.658 2.314 30 10 JEEE C=CC1CCN(c2nnc(Cc3ccccn3)n2CCS(=O)(=O)N2CCSCC2)CC1 1539891504 DMZWFBPQEMITNT-UHFFFAOYSA-N 462.645 2.045 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccn(CC)c1=O 1540187573 QZBTZYKDRZPQFQ-IBGZPJMESA-N 471.583 2.238 30 10 JEEE C=CCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1540853777 NQKSPAPRERSUAI-NVXWUHKLSA-N 458.950 2.021 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1540875133 CCEMMAKABLHIAD-ZHRRBRCNSA-N 461.950 2.197 30 10 JEEE C=CCNC(=O)Cn1c(N2CC[C@H]([C@@H]3CCOC3)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1540875926 BWMKCDWMJXKPLB-ZSYWTGECSA-N 474.606 2.214 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC=C(COC)CC1 1540875932 CEVJDMHXEYBLRG-SFHVURJKSA-N 460.579 2.435 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC(N(C)c3ccccc3)CC2)nnc1[C@]1(OCC)CCOC1 1540876606 WIFULGLEAUQVCK-VWLOTQADSA-N 468.602 2.338 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CC[C@](O)(c2ccccc2F)C1 1540902326 HFRKNSBHDTXDME-SIKLNZKXSA-N 464.563 2.358 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N(C)CC(=O)Nc1cc(F)cc(F)c1 1540907910 MGYUIHFYAHACHH-QGZVFWFLSA-N 469.514 2.084 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCc1cccc(F)c1)C1CC1 1587861202 IAXOPOGJBRDVKO-NRFANRHFSA-N 475.590 2.375 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1CC1(N2CCSCC2)CCCCC1 1588223671 BWEGHIRVHDWADD-FQEVSTJZSA-N 454.644 2.444 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2Cc2cccc(OC)c2OC)CC1 1588969199 WYOPGBUVNOGUEJ-HXUWFJFHSA-N 453.543 2.161 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1C[C@H](C)C[C@@H](C)C1 1589664278 WZTXFSANKYNHQQ-NJYVYQBISA-N 482.695 2.381 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCO[C@@H](C)C1 1595261293 POYVNOZMFUVSCR-ZVDOUQERSA-N 493.630 2.254 30 10 JEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](Cc2ccc(C#N)cc2)C1 1595405244 GIFFUFHUVYVVAU-NHCUHLMSSA-N 470.599 2.128 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1595467382 SSMKZNFZZMOQEH-MHPIHPPYSA-N 482.585 2.222 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(Cc2cnc(C)s2)CC1 1595507073 VXMIVLVHALIFNS-UHFFFAOYSA-N 497.625 2.352 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1595776690 CXUBZLBZHHEPIS-QZTJIDSGSA-N 476.599 2.426 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1595784872 LWTMCVMCGHDOCN-WMZOPIPTSA-N 476.603 2.290 30 10 JEEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1595900803 JPTPMLMEFVIVDX-SFHVURJKSA-N 452.650 2.462 30 10 JEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H](C(=O)OCc1ccccc1)C(C)(C)C 1632772955 AUBFMHYLFULGJL-OXJNMPFZSA-N 457.552 2.499 30 10 JEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(S(=O)(=O)N2CCCC2)CC1 1639508137 VAJCSPDCZVFGGN-INIZCTEOSA-N 450.001 2.439 30 10 JEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)NCc2ccc(F)cc2)CC1 1689930674 XBUMNSJNMUGOBV-FQEVSTJZSA-N 487.601 2.266 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H]1SCCc2ccccc21)[C@@H]1CCS(=O)(=O)C1 1689977759 CCZLWDYSNYZURL-QUCCMNQESA-N 487.651 2.074 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1ccc(OCC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1689993911 NMDAAVFPNVSOBG-NRFANRHFSA-N 495.605 2.346 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccccc2F)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1690099023 ZSXBGZSLDSWJPG-NQIIRXRSSA-N 475.590 2.374 30 10 JEEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1690235198 ZFSJHAKORYDWOQ-PASDCYSWSA-N 457.369 2.295 30 10 JEEE C=CCCOCCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1690499961 HHRMVJSGXQXLKF-FQEVSTJZSA-N 463.380 2.498 30 10 JEEE C=CCCOCCn1c(N2C[C@@H]3[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]3C2)nnc1C(C)(C)C 1690511044 NTUZBNSSBNNVPG-KURKYZTESA-N 497.662 2.295 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1690665671 LVDOIFGWEZNBIQ-UHFFFAOYSA-N 499.641 2.268 30 10 JEEE C=CCOc1ccccc1Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1690682419 OGHDQSBFZQVFHJ-LJQANCHMSA-N 499.641 2.400 30 10 JEEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 1690731842 RKHMFGOZGQPNIR-UHFFFAOYSA-N 468.627 2.325 30 10 JEEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCCCC2)CC1 1690733529 HEKXNNKVEDWASO-KRWDZBQOSA-N 456.682 2.262 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1CCCN1CCCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1705563640 BKPBVRSZGPYKNM-UXHICEINSA-N 456.616 2.231 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@H]1CN(CC(C)C)CCO1)[C@H]1CCS(=O)(=O)C1 1705570092 MOWJMRAGWXMQQO-BJKOFHAPSA-N 499.681 2.047 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCN1CCN(C)C(C)(C)C1 1705575504 MJIUOBVORPQSQY-UHFFFAOYSA-N 456.598 2.434 30 10 JEEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)N1CCN(CC)CC1 1705612613 KOGAPNLHGKPADJ-NHCUHLMSSA-N 489.665 2.072 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCN1CCC(C)CC1 1705627153 XBUMBCKEYPFLEO-UHFFFAOYSA-N 477.613 2.400 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(OC(F)F)cc2)CC1 1705648440 SVVPHRJFPJSWPV-SFHVURJKSA-N 459.497 2.398 30 10 JEEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCO[C@@H](Cn2cccn2)C1 1705680393 AAGNOIIGJMYQNZ-HZPDHXFCSA-N 455.357 2.013 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@]2(OC(C)C)CCOC2)n1CC(=O)N1CCOCC1 1705863932 LIBMKWJYHSXEQW-QHCPKHFHSA-N 475.615 2.432 30 10 JEEE C=CCN(CCOC)c1nnc(-c2cnn(C)c2)n1Cc1cc(F)ccc1N1CCOCC1 1705883804 WAQNSLBLLMFYES-UHFFFAOYSA-N 455.538 2.341 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1705933428 GTKSKCFDSMQBKN-SFHVURJKSA-N 473.599 2.050 30 10 JEEE C=CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1705942476 UEXUEEBSELHUPK-SFHVURJKSA-N 463.571 2.268 30 10 JEEE C[C@@H](CN1CCOCC1)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@](F)(C#N)C1 1706821212 HZOXAJNWGQQBRY-SBUREZEXSA-N 489.983 2.272 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cccnc1N1CCOCC1 1722277064 KEVQJPDBVACZMU-DVECYGJZSA-N 454.575 2.057 30 10 JEEE C#CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1722330294 QTELQSWAXDNBBC-HXUWFJFHSA-N 466.586 2.119 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1CCN1CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1722362426 NNACDCHJFXISBI-QUCCMNQESA-N 487.626 2.073 30 10 JEEE C#CCN(CC#C)c1nnc(CCc2ccc(OC)cc2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1722385132 AMYFDOHPAHOBAX-VWNXMTODSA-N 495.649 2.349 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2csc(C)n2)n1CCCn1cnnn1 1722422672 PTQMZHSTOQZOIW-UHFFFAOYSA-N 451.535 2.490 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2cccc(CN(C)C)c2)CC1 1722430301 AINRSUYQYSUTBT-AREMUKBSSA-N 466.630 2.184 30 10 JEEE C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CCC 1722484325 HLDGFPCBBQURDD-KBPBESRZSA-N 450.403 2.144 30 10 JEEE C=CC[C@@H](Cn1c(CC(C)C)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1)c1ccccc1 1722596231 FRPKBYLLFKHIIN-QHCPKHFHSA-N 494.640 2.344 30 10 JEEE C=CCN(CC=C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ccc(C)n(C)c1=O 1722667684 HTBQBYMGKNFMKZ-UHFFFAOYSA-N 482.610 2.429 30 10 JEEE C=CCN(CCc1ccco1)c1nnc(Cc2csc(C)n2)n1C[C@@]1(O)CCS(=O)(=O)C1 1722674407 QZLKJXZKSZHCJZ-NRFANRHFSA-N 477.612 2.012 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1722694387 UJZRQTKAMDRHPN-GFCCVEGCSA-N 488.433 2.085 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N(C)C[C@@H]2CCN(C(C)=O)C2)cc1 1722703088 VJEVCHXZECSHKY-FQEVSTJZSA-N 454.575 2.334 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1722724304 SRMIGRQSHJYHMX-FCEWJHQRSA-N 494.017 2.387 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 1722725579 NYGVIQPSIBNCLZ-UHFFFAOYSA-N 472.615 2.312 30 10 JEEE CC(C)(C)n1ncnc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(S(C)(=O)=O)CC1 1722968661 DAXSPWBKAPNCKM-UHFFFAOYSA-N 468.587 2.225 30 10 JEEE Cc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@@H](C)C#N)c(O[C@@H]2CCOC2)c1 1724355998 IDPQQHHMTMEMEB-DFQSSKMNSA-N 473.599 2.301 30 10 JEEE CC1CCN([C@@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(OCC(N)=O)CC2)CC1 1726589471 AKEGMWWPJKAOTP-IBGZPJMESA-N 465.602 2.408 30 10 JEEE COc1cc(Cn2c(Cc3ccncc3)nnc2N2CCO[C@H](C#N)C2)cc(OC)c1OC 1729989409 GAYDUVACAQOJLR-GOSISDBHSA-N 450.499 2.067 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2cnccn2)n1C[C@H]1CCCS(=O)(=O)C1 1730749826 DCMBPPXLTAZRJS-HXUWFJFHSA-N 481.582 2.085 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CCCN1S(C)(=O)=O 1740555031 ZFKYPUKBAPTNQN-GBESFXJTSA-N 494.662 2.275 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2C[C@@H](C)CN2CCN(CC)CC2)c1 1740565189 MFIOZYILKOKPNX-XUZZJYLKSA-N 493.656 2.459 30 10 JEEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1740566437 HAAVDVXYGNMEON-UHFFFAOYSA-N 492.628 2.300 30 10 JEEE C#CCN(C)c1nnc(COc2cccc(C)c2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1740613273 AIPDLNRUUSVEIJ-FPOVZHCZSA-N 457.600 2.439 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCNC(=O)c1cccs1)[C@@H]1CCS(=O)(=O)C1 1740618752 BGIJELCUEWBATR-GOSISDBHSA-N 499.618 2.072 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCn1cc(Cl)cn1)[C@H]1CCS(=O)(=O)C1 1740618776 BYYQPFIDOVBCTI-INIZCTEOSA-N 480.381 2.170 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCOC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1740621824 ZLJBKUBPLRFVOB-JRGCBEDISA-N 453.568 2.116 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1ncn(C)n1 1740657053 VTRCXXSGSWQPHC-SFHVURJKSA-N 452.563 2.032 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCc2ccc(C)c(OC)c2)CC1 1740693284 WJDODFDIDCXGHF-VWLOTQADSA-N 453.587 2.245 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCSCc2ccccc2)CC1 1740701020 RFPIFVQMRMJFKL-UHFFFAOYSA-N 480.638 2.413 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H]2CCN(CC(F)(F)F)C2)CC1 1740706293 RNGSTFAFFUKVTB-PKOBYXMFSA-N 482.551 2.022 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CCc2ccc(OC)c(OC)c2)CC1 1740708682 YWQADWBDBBDPPB-UHFFFAOYSA-N 451.571 2.456 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(Cc2c(F)cccc2F)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1740731493 CHEYJUZIXGQSEF-OPAMFIHVSA-N 463.554 2.421 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1sccc1C 1740731924 LQZWPSCDHYAFBU-DYESRHJHSA-N 463.629 2.216 30 10 JEEE C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H]1CC=CCC1 1740744727 FTLNRVNDDGJFGL-JKSUJKDBSA-N 474.425 2.312 30 10 JEEE C=C(C)CN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@]1(O)CCS(=O)(=O)C1 1740773927 HLNKVCIRXYSIJR-HSZRJFAPSA-N 497.662 2.345 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC[C@@](C)(O)c1ccccc1 1741929718 BCZOLNNQOMHOQO-BULFRSBZSA-N 460.604 2.316 30 10 JEEE C#CCN(c1nnc(COCC)n1C[C@H](c1ccccc1)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1748823821 CABYCWIZLSSIKK-FCHUYYIVSA-N 471.627 2.278 30 10 JEEE C#CCN(c1nnc(COc2ccccc2OC)n1C[C@@H]1CCC[C@@H]1OC)[C@@H]1CCS(=O)(=O)C1 1748825273 XDBNITAZBQRFTR-ZCNNSNEGSA-N 488.610 2.308 30 10 JEEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1Cc1cc(OC)c(OC)c(OC)c1 1748842597 OEVXQJGNZFRCMW-UHFFFAOYSA-N 463.494 2.153 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCc2ccc(OC)c(F)c2)CC1 1749001312 PSVHRERMNXBAKC-UGKGYDQZSA-N 457.550 2.148 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](OCCOC)C1 1749117926 AKJDTDDSZTWNFA-GGPKGHCWSA-N 456.547 2.148 30 10 JEEE C=C(Cl)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CCOC)[C@H](C)C1 1749271074 MOVQFCLIMZWMKX-QZTJIDSGSA-N 485.029 2.496 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)NC[C@@H]2C1 1749368300 GHGNSATYOVUTSF-MSOLQXFVSA-N 489.621 2.403 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(CCc3ccccc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1749716767 AWIVISFZTZPJEU-LEWJYISDSA-N 459.616 2.126 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(C(=O)OC)CC1 1749725633 TVIPILVGXSJNMY-MRXNPFEDSA-N 481.550 2.046 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCN(c2ccccn2)CC1 1749729347 HIAXNAWVDOGFQP-UHFFFAOYSA-N 468.583 2.276 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1749730544 IBJXSXGAPUDCAP-NPPFBWRTSA-N 461.588 2.022 30 10 JEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cc(Cl)ccn1 1760137214 GUZOEASZNHQHRP-SFHVURJKSA-N 466.995 2.099 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC(C)(C)CN(C)C)[C@@H]1CCS(=O)(=O)C1 1760182019 AOEBDQZSVGTJER-LJQANCHMSA-N 474.587 2.068 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(C)c(Br)c2)n1CCCNS(C)(=O)=O 1760197940 QMSLCBFNPPKHED-UHFFFAOYSA-N 464.389 2.028 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CC2(CCOC)CCCCC2)CC1 1760265137 OWDNUQWNVFZFEG-UHFFFAOYSA-N 484.645 2.467 30 10 JEEE C#CCSCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1760275412 WZQKJRXWUFKKJT-DLBZAZTESA-N 498.588 2.456 30 10 JEEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1760285438 GMJFNULBZIMNTP-JOCHJYFZSA-N 452.540 2.126 30 10 JEEE C=C(C)COCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@H](OC)C1 1760352267 ULXARGFMOJMVPO-IBGZPJMESA-N 463.604 2.403 30 10 JEEE C=C(Cl)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1760364912 GPMHJYUXGZNYNF-HNNXBMFYSA-N 461.032 2.057 30 10 JEEE C=C(Cl)Cn1c(N2CCC(N3CCCNC3=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1760386656 FIYCNJWLVHWTTJ-OAQYLSRUSA-N 452.987 2.455 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C#N)o1 1760499184 RATVPOIJUGWYDC-QFIPXVFZSA-N 496.593 2.359 30 10 JEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(OC(F)F)c(OC)c1 1760510464 ZEUBCDJIZJYMHI-KRWDZBQOSA-N 487.529 2.043 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1760525472 HGCAMZQWCRMTKQ-UHFFFAOYSA-N 468.583 2.405 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC(=O)N(C)C)C1 1760542160 JYVWMYWFBKVSFP-GOSISDBHSA-N 462.595 2.262 30 10 JEEE CC1CCN([C@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3cc(C#N)ccn3)CC2)CC1 1762947171 CHXUYKGQXHDSJC-HXUWFJFHSA-N 479.633 2.130 30 10 JEEE CCN(CC)C(=O)CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2C#N)CC1 1766556960 CQARKUMJKOIQTK-FQEVSTJZSA-N 478.601 2.076 30 10 JEEE CO[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(S(C)(=O)=O)CC1)C(C)C 1768131594 FRJOWKXNSOHOGJ-FQEVSTJZSA-N 461.588 2.413 30 10 JEEE COC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1)OC 1769236603 AJVKODMJUITTRH-NRFANRHFSA-N 458.526 2.071 30 10 JEEE N#Cc1cccc(-c2nnc(N3CCN(C(=O)c4ccsc4)CC3)n2CC(=O)NCC(F)F)c1 1771531195 FMDFMVNMLZIMMM-UHFFFAOYSA-N 485.520 2.222 30 10 JEEE CN(C(=O)CCN1C(=O)c2ccccc2C1=O)c1ccc(NS(=O)(=O)c2ccccc2C#N)cn1 1858272832 ZBOOOEMADSTBHP-UHFFFAOYSA-N 489.513 2.403 30 10 JEEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc([N+](=O)[O-])cc1 1862755445 ZTNFLSSQQAVHSQ-GOSISDBHSA-N 454.395 2.217 30 10 JEEE CCN(CC)CCNC(=O)c1ccc(-n2nnc(C#N)c2NC(=O)c2cccc(NC(C)=O)c2)cc1 1870148996 FUDURPSOOXNKAW-UHFFFAOYSA-N 488.552 2.421 30 10 JEEE C=CCn1cc(OCC(=O)NC[C@H]2CCCO2)c(=O)cc1CN1CCN(c2ccc(F)cc2)CC1 1870541365 COLKCHSWUJJSDC-HSZRJFAPSA-N 484.572 2.170 30 10 JEEE CCN(Cc1ccccc1)c1ccc(/C=N/n2c(CNC(C)=O)nnc2SCC(N)=O)cc1 1874432541 LCYDQRFBTDMMAU-LGJNPRDNSA-N 465.583 2.400 30 10 JEEE COc1nc(CNC(=O)[C@H]2SCC(=O)N(C(C)C)[C@@H]2c2ccc(C#N)cc2)nc(N2CCCC2)n1 1890258018 BLYSDGYBDCEBBR-RTWAWAEBSA-N 495.609 2.062 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)[C@H](F)C1 2124519729 MIXGVOJDFKTFAE-LSDHHAIUSA-N 450.320 2.309 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)CNCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CC1 2151201452 OKXNZXAYHLIFMI-UHFFFAOYSA-N 459.396 2.155 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@]2(NS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2255949090 STHOLYYHLCEJAJ-XCLFUZPHSA-N 470.422 2.335 30 10 JEEE CC1(C)OB(c2ccsc2S(=O)(=O)NC2[C@@H]3CN(Cc4ccccc4)C[C@@H]23)OC1(C)C 2255949102 SYDLABSZDLWMFC-IAGOWNOFSA-N 460.430 2.456 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]1CNS(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2255951036 YFDTYDBASVNCGV-WMLDXEAASA-N 452.382 2.177 30 10 JEEE CC(C)(C)OC(=O)NC1CC(CCC(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2256673356 SEVYIUMCFHAQLA-UHFFFAOYSA-N 452.386 2.281 30 10 JEEE COCC1(NC(=O)OC(C)(C)C)CC(NC(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267010024 RSOGJNRYWKYDIG-UHFFFAOYSA-N 450.341 2.381 30 10 JEEE CC(C)C[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2267129827 GTAPIYIIPAWWAW-OAHLLOKOSA-N 450.389 2.389 30 10 JEEE C[C@@H]1CCN(C(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)[C@H](C)[C@@H]1NC(=O)C(F)(F)F 2267478514 YZOYWEWEWZQIQU-NQBHXWOUSA-N 461.315 2.360 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](O)C[C@@H]1C(=O)NCc1sccc1B1OC(C)(C)C(C)(C)O1 2268645531 FTPKKMRFOBNEOO-GOEBONIOSA-N 466.409 2.424 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)c(F)c2)C1 2268802489 XYUCWWZPQDUAHC-JOCHJYFZSA-N 450.316 2.435 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@H](NC(=O)c2c(F)cccc2B2OC(C)(C)C(C)(C)O2)C1 2281781226 GXBWKSGHGKZUCB-IAGOWNOFSA-N 464.343 2.225 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1COCCN1C(=O)c1c(F)cccc1B1OC(C)(C)C(C)(C)O1 2281790799 LQYVFLLSQXHUCC-OAHLLOKOSA-N 464.343 2.491 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@H]2CCN(C(=O)c3nscc3B3OC(C)(C)C(C)(C)O3)C[C@H]21 2281799649 YJQBDUXQNCEABT-CVEARBPZSA-N 479.408 2.293 30 10 JEEE C[C@H]1CC[C@@H](CNC(=O)OC(C)(C)C)N(C(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)C1 2281830512 MSHKZFMYSXGSHG-HOTGVXAUSA-N 462.400 2.485 30 10 JEEE C[C@H]1CN(Cc2ccccc2)C[C@H](C)N(C(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)C1 2281952675 ZPIBOGGEFNIHLZ-ROUUACIJSA-N 453.396 2.097 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H]2[C@H]1C(C)(C)[C@@H]2NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2281981896 JYSYVKAEZPYWCZ-XYPHTWIQSA-N 460.384 2.473 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@]2(CCNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2281990757 QZZXJDFEBRKUAH-NPMXOYFQSA-N 460.384 2.476 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@@H]3[C@@H](CCN3C(=O)OC(C)(C)C)C2)n1 2282033992 BKIMSDFXVODFKJ-DOTOQJQBSA-N 460.384 2.191 30 10 JEEE CN(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)[C@H](CNC(=O)OC(C)(C)C)C(F)(F)F 2282041827 BUUPGSZDSODWLI-CYBMUJFWSA-N 476.305 2.247 30 10 JEEE CCC[C@@]1(NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CCN(C(=O)OC(C)(C)C)C1 2282185265 DVEUMNSWSOHVRF-JOCHJYFZSA-N 463.388 2.024 30 10 JEEE CN(C)C(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2282508696 ZZCVSISBLIOXKD-UHFFFAOYSA-N 476.379 2.404 30 10 JEEE CCn1cc(C(=O)N=[S@](C)(=O)C2CN(C(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2282537261 NQPQROVTUYWADQ-MGBGTMOVSA-N 482.412 2.060 30 10 JEEE Cc1nn(C)c(C(=O)NC[C@@H]2CCC[C@H]2NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2282562105 XDABTCWGBVSTDZ-JKSUJKDBSA-N 462.400 2.451 30 10 JEEE C[C@@H]1C[C@@H](NC(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)CCN(C(=O)OC(C)(C)C)C1 2282564883 AVDHBGBVYONCPC-CVEARBPZSA-N 462.400 2.485 30 10 JEEE Cc1ccnc(C(=O)NC[C@]2(NC(=O)OC(C)(C)C)CCOC2)c1B1OC(C)(C)C(C)(C)O1 2282571549 CQQCAWCZALVQPG-HSZRJFAPSA-N 461.368 2.103 30 10 JEEE CC(C)(C)OC(=O)N[C@]1(C)CCCN(S(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282827609 AUKLRWPOQKDKHP-JOCHJYFZSA-N 481.424 2.449 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2O)[C@H](C#N)C1 2282884185 LDFGUOPLOXIPCV-MRXNPFEDSA-N 457.336 2.276 30 10 JEEE CC1=C(B2OC(C)(C)C(C)(C)O2)CCN(C(=O)Cn2cc(CNC(=O)OC(C)(C)C)nn2)C1 2283968012 IEYWQNKTBGBSLJ-UHFFFAOYSA-N 461.372 2.483 30 10 JEEE CC(C)(C)OC(=O)NCc1cn(CCNc2nccc(B3OC(C)(C)C(C)(C)O3)c2F)nn1 2287101802 SPBRMUBMLDJYEV-UHFFFAOYSA-N 462.335 2.248 30 10 JEEE CCOc1ccc(C(O)=C2C(=O)C(=O)N(CCOCCO)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 2296937128 URFSAAOPOWVASP-HXUWFJFHSA-N 456.451 2.424 30 10 JEEE CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)C(=C(C)NCCn3nccc3C)C(=O)[C@@]12C 2297591175 VUEOHJNEHXJLDD-DEOSSOPVSA-N 451.479 2.363 30 10 JEEE Cc1c(C=C2SC(=S)N(CC(=O)O)C2=O)c(N2C[C@H](C)C[C@@H](C)C2)n(C)c(=O)c1C#N 2314457726 WHDYYQOGBHIBML-VXGBXAGGSA-N 460.581 2.334 30 10 JEEE COC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)(C)C)C2)n1N=Cc1ccc(C(=O)O)cc1 2327876077 CZJHFWVNELXIKO-HNNXBMFYSA-N 459.528 2.238 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NC[C@H]2[C@H](OC)[C@H](OC)CN2C(=O)OC(C)(C)C)C1 2359247627 YQLRMYMHNVQNMV-PQNAXGCQSA-N 481.590 2.059 30 10 JEEE Cn1nc(C(=O)N2CC[C@H]3C[C@]2(CNC(=O)OC(C)(C)C)C3)cc1B1OC(C)(C)C(C)(C)O1 2366381322 BKJALRVBNWNCCO-GUJKFWMDSA-N 460.384 2.239 30 10 JEEE NC(=O)CSc1n[nH]c(N/N=C/c2cc(Br)c(O)c(Br)c2)n1 20428742 ZIAFPECKBQINLR-CRKCGEKBSA-N 450.116 2.059 30 10 JEEE Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1/C=C\C(=O)OCC(=O)Nc1cccc(C#N)c1 96492043 AXYUHKDOZJRDTC-OGZRUICASA-N 462.915 2.271 30 10 JEEE Cc1nn(C)c(C)c1/C(O)=C1/C(=O)C(=O)N(CCCN2CCOCC2)[C@H]1c1cccc(F)c1 102752182 HNHYBKGYMOGONO-AGGMBTAESA-N 456.518 2.320 30 10 JEEE COC(=O)c1[nH]c(C)c(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccc(OC)c2)c1C 103102931 FYPGGNXBANVSNM-MBDQKHHZSA-N 497.548 2.181 30 10 JEEE C#CCN(C(=O)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1)[C@H]1CCS(=O)(=O)C1 729331800 POFMELMDJBNYRB-HNNXBMFYSA-N 493.434 2.043 30 10 JEEE Cc1nn(CCO)c(C)c1C=NNc1nc(SCCC(=O)Nc2cccc([N+](=O)[O-])c2)n[nH]1 1084377128 LNQIZWNMGDGJBN-UHFFFAOYSA-N 473.519 2.085 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@H]1CCCCS1(=O)=O 1286287693 CGXRSUGZNUAVBY-ROUUACIJSA-N 482.610 2.490 30 10 JEEE C#CCN(c1nnc([C@@H]2COc3ccccc3O2)n1C[C@](C)(O)[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1286392658 JDOKITPUCBNBRK-RWTJRTBCSA-N 488.610 2.214 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CC[C@@](C)(O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1286394891 XRRMDLKBOKEDNJ-RCZVLFRGSA-N 479.606 2.188 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@@H]1CCCN1CCC)[C@H]1CCS(=O)(=O)C1 1286398365 XPYDNTCTKIONIG-SFTDATJTSA-N 489.617 2.497 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccc3C)n2C[C@]2(O)CCO[C@H]2C)n1 1286471368 LPQPOLYCGVKPRN-NBGIEHNGSA-N 464.570 2.276 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ccc(S(C)(=O)=O)cc2)CC1 1286485583 QNVMYGNBNMMUJT-FGZHOGPDSA-N 485.654 2.404 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H]2CC=CCO2)CC1 1286488971 AACVYOCKBGBCGX-FQEVSTJZSA-N 465.554 2.273 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCNC(=O)c2ccccc2F)CC1 1286492162 DEQBKMIXXXNTRD-OAQYLSRUSA-N 482.560 2.055 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1nc(C(F)(F)F)cs1 1286518048 YHGQMDADAYWNMH-BDJLRTHQSA-N 462.523 2.404 30 10 JEEE C=C(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1286592195 PPFNFTWROYOWHU-MRXNPFEDSA-N 456.572 2.264 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCOc1cccc(Cl)c1 1286592532 KENRBEXZDFQXSM-GOSISDBHSA-N 469.995 2.356 30 10 JEEE C=CCC(C)(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@H](CNC(C)=O)C1 1286670777 NSCNTHFXXQIZHR-GOSISDBHSA-N 479.585 2.136 30 10 JEEE C=CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1286682277 JFCDEFCZVNOLKK-UHFFFAOYSA-N 474.009 2.331 30 10 JEEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1 1286769135 RIXKPVUJKPNOTP-LSDHHAIUSA-N 456.613 2.204 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H]2COCCO2)C1 1286798573 LMSNVDRSTDQSLK-MOPGFXCFSA-N 461.950 2.058 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)O[C@@H](c2ccccc2)C1 1286814201 NEDXTOARJAPRNT-AZUAARDMSA-N 496.593 2.493 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](C2CC2)C1 1286815295 QTTJREKBSCFFTM-GOSISDBHSA-N 464.613 2.186 30 10 JEEE C=CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(C(=O)NC)CC1 1286823518 NKAFIXJSGGAMIB-UHFFFAOYSA-N 478.022 2.242 30 10 JEEE C[C@@H]([C@@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCCS1(=O)=O)S(C)(=O)=O 1286976512 FIYRKLOCOPJCBU-JTDSTZFVSA-N 479.628 2.042 30 10 JEEE CC(C)(C)OC(=O)N1CCC(c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@H]2COCCO2)CC1 1287049868 AOYBMEPMFFYWBU-VGOFRKELSA-N 464.542 2.250 30 10 JEEE CCO[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2Cc2cccc(OCCN(C)C)c2)CCOC1 1296605308 HGQRLEOYJMYVAH-DNQXCXABSA-N 472.565 2.361 30 10 JEEE COc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)cc1Cl 1300185979 ABZFPRCIESZMKZ-ZDUSSCGKSA-N 452.968 2.339 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CC2(SC)CC2)c1 1300330510 BSHANTKUHNVVJJ-UHFFFAOYSA-N 452.584 2.466 30 10 JEEE C#CCCCn1c(N2CCN(Cc3cccc(F)c3)C(=O)C2)nnc1[C@@]1(OCC)CCOC1 1300424524 IXTKGVGOQCJXEB-XMMPIXPASA-N 455.534 2.332 30 10 JEEE C#CCN(c1nnc(C)n1Cc1cccc(COCC(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 1300483247 IZVDVXZAXFLFST-GOSISDBHSA-N 456.490 2.340 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1CCCN1C[C@H](C)C[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1300487177 HHVOYSAUVJGQDT-SJBKTWHCSA-N 470.643 2.335 30 10 JEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1CC1([S@@](C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1300499421 RHZAMNHWHQXLPN-YVGXBJCXSA-N 481.043 2.060 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(OC)nc1)[C@H]1CCS(=O)(=O)C1 1300504383 MXBZXXAQPUIKQX-QKNQBKEWSA-N 487.626 2.275 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCC(=O)N2CCCCCC2)CC1 1300719578 HIWILRHGEMLANR-UHFFFAOYSA-N 463.586 2.099 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@H](C)N2CCC[C@H](C)C2)CC1 1300719978 YARWXNKKLQRICN-PMACEKPBSA-N 451.619 2.370 30 10 JEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN([C@H](C)c2nccs2)CC1 1300733423 VPICWDNTZJQUPS-QGZVFWFLSA-N 459.645 2.220 30 10 JEEE C=C1CCN(c2nnc(-c3cc(Br)cn3C)n2CCCn2cc(CO)nn2)CC1 1301070134 MBHDRQIENRDQGZ-UHFFFAOYSA-N 461.368 2.377 30 10 JEEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2ccc(C)cc2)CC1 1301223031 LJZSZYNMEZOCCJ-HXUWFJFHSA-N 457.600 2.417 30 10 JEEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 1301468665 IWHJALYJBKHCAC-MOPGFXCFSA-N 485.658 2.273 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)[C@H](C)c1ccc(OC)cc1 1301568439 SJCOSAHEZJECJC-QGZVFWFLSA-N 461.588 2.321 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1301577832 OJLJJKLHBHVWJB-YLJYHZDGSA-N 480.034 2.356 30 10 JEEE CCc1nnc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2ccc(C#N)cc2)s1 1306057805 DOFPBALRUJVOLL-MRXNPFEDSA-N 457.585 2.150 30 10 JEEE CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCN(CC(C)C)C2)CC1 1313990087 HJMDCYLUKVUSGH-HSZRJFAPSA-N 492.672 2.443 30 10 JEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCNC(=O)[C@@H](C)CCC 1358949685 KHWIZTGHYJHFCU-ROUUACIJSA-N 462.595 2.208 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CC1(N(C)C)CCCCC1)[C@H]1CCS(=O)(=O)C1 1358955438 LZAOOWBXGJFTNJ-FQEVSTJZSA-N 492.690 2.088 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@@H](C)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1358965556 XFJCCDJKYRYTGR-QUCCMNQESA-N 461.607 2.365 30 10 JEEE C#CCN(CC#C)c1nnc(CSc2ccc(Cl)cc2)n1CCNC(=O)c1cc[nH]n1 1358983614 PGSJWWNQXJUYQN-UHFFFAOYSA-N 453.959 2.450 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2Cc2ccc(COCCOC)cc2)CC1 1359035029 JALDMQNOWXLSKM-HSZRJFAPSA-N 453.587 2.486 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H](OC)c2ccccc2)CC1 1359038503 YPAXYIRDSKTUCV-HXUWFJFHSA-N 464.595 2.413 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1359104593 DASWUSHPFJBHNP-JTAQYXEDSA-N 474.650 2.365 30 10 JEEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N(C)C1CCC(NC(C)=O)CC1 1359126418 PANROWYSLLZLRV-UHFFFAOYSA-N 455.563 2.402 30 10 JEEE C=C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCCN(C)S(=O)(=O)CC)CC1 1359160213 OHQOXWZGSHDBOE-NRFANRHFSA-N 455.625 2.147 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1359294423 STTKPFFVAVAYHH-UHFFFAOYSA-N 459.982 2.485 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCOc2ccccc2)nnc1N1CCN(C(C)(C)C)CC1 1359334810 RGRIDWSTDZMBLT-UHFFFAOYSA-N 461.632 2.421 30 10 JEEE CC(C)NS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1360315047 AKDIJRRVXYPHRJ-UHFFFAOYSA-N 475.594 2.211 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CC1CCN(c2ccncc2)CC1 1360693371 HOALCOXAZFQHFO-WZONZLPQSA-N 486.646 2.330 30 10 JEEE C#C[C@@H](NC(=O)c1cccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)c1)C1CCOCC1 1453743731 DYQOSHRYKCHZRP-HXUWFJFHSA-N 456.520 2.052 30 10 JEEE N#C[C@@]1(F)CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Br)s3)C2)C1 1459015547 GVUQJSBSHZXCMQ-NHYWBVRUSA-N 450.355 2.375 30 10 JEEE COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@H]2CCO[C@H](C)C2)CC1 1504530368 CUXCVDVBDDAEHF-MOPGFXCFSA-N 452.559 2.317 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccccc1CN1CCOCC1 1507547158 JYKQYCOUBIKOQL-VJBMBRPKSA-N 453.587 2.341 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2CC2([S@@](C)=O)CCC2)c1 1507550411 ZFWBBUNKGWWKEC-MGBGTMOVSA-N 463.567 2.093 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCCCOCC)[C@H]1CCS(=O)(=O)C1 1507630171 ZQRMWNGUVKAWDS-KRWDZBQOSA-N 451.980 2.437 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H](OC)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1507630199 URVGJJXSSWYCMT-PXNSSMCTSA-N 474.583 2.362 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H](C)c2nc(C)cs2)CC1 1507735496 BAAGLTKBJHLZHI-OSPHWJPCSA-N 486.642 2.465 30 10 JEEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1507752004 RGWRDXFMBADALJ-UHFFFAOYSA-N 464.599 2.449 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1507801929 ZEBYTTXIXTZXRT-AZUAARDMSA-N 454.579 2.300 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC([C@H]2CCCO2)CC1 1507809546 XAMKHKWRVVJCRU-AFYVEPGGSA-N 467.636 2.265 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(Cc2cc(C)ccc2OC)CC1 1508084359 NCRUWGQBAZNAAX-UHFFFAOYSA-N 475.597 2.205 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2=O)ccc1F 1522716411 AYVDPBOVXKEUCJ-QGZVFWFLSA-N 451.907 2.479 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCOc2ccc(F)c(F)c2)CC1 1539477771 YBJANBYJGNLOAA-UHFFFAOYSA-N 467.480 2.058 30 10 JEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)c2cccc(F)c2)CC1 1539512889 GYFRSRVKYJAZOT-IBGZPJMESA-N 470.574 2.087 30 10 JEEE C#CCSCCn1c(COc2ccc(C)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1539526639 OBYMIXGCJPJGPI-UHFFFAOYSA-N 463.629 2.004 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1539624544 UFALCJBCXPKRQT-GGAORHGYSA-N 463.586 2.008 30 10 JEEE C=C(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1539714824 ZIAMXVHSBVQLRI-UHFFFAOYSA-N 454.623 2.240 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1540864109 PHJKNAMJRGOHJV-SJORKVTESA-N 473.375 2.257 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N(C)CC(=O)Nc1c(C)cc(C)cc1C 1540869990 BWFVSBUBYMCKGP-IBGZPJMESA-N 454.575 2.474 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC(NC(=O)C2CC2)CC1 1540875342 IKDSAWJVDPFSTC-UHFFFAOYSA-N 472.977 2.308 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1540902920 UHEAWNOAOULGHR-UHFFFAOYSA-N 492.690 2.107 30 10 JEEE C#CCOc1ccc(CNC(=O)CN(C)S(=O)(=O)c2ccc(Br)cc2)cc1 1543708435 IHLNTSXTGBIFKT-UHFFFAOYSA-N 451.342 2.398 30 10 JEEE CCS(=O)(=O)NCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC(CC#N)CC1 1552391769 DDZFWSUTYVPUHO-UHFFFAOYSA-N 468.587 2.200 30 10 JEEE CNC(=O)CNC(=O)c1cccc(NC(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)c1 1562705585 DIRZIVPMWQTWMO-UHFFFAOYSA-N 453.474 2.248 30 10 JEEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1587898144 IHKLBDJPOVKAED-UYAOXDASSA-N 465.602 2.431 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CCCCN1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1588064114 AQLGTIUGRCQWLT-JTHBVZDNSA-N 484.670 2.403 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(OCC(F)(F)F)c1 1588139534 OOAWBGOHQKQKBK-QGZVFWFLSA-N 466.485 2.242 30 10 JEEE C#CCN(CC#CC)c1nnc(Cn2ccc3ccccc32)n1CCN/C(O)=C1/N=CC=CC1=O 1588245814 RPORRXLFEJRXNL-IZHYLOQSSA-N 467.533 2.270 30 10 JEEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1CCNC(=O)Cc1cccc(F)c1 1588250817 JBGBBEJPKZVEIK-UHFFFAOYSA-N 461.545 2.101 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCc2ccccn2)CC1 1588899197 MLFUNKNPGYYQCT-UHFFFAOYSA-N 459.510 2.457 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1589547725 VJTDNWRRSDHALN-RXVVDRJESA-N 453.591 2.278 30 10 JEEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1594693304 XANVFTCLAMQCDT-SFHVURJKSA-N 452.602 2.328 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1595466038 CUOIYUYEVXGRLJ-IBGZPJMESA-N 487.004 2.295 30 10 JEEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1595529853 JXOUVVSPBRWHKE-KRWDZBQOSA-N 470.599 2.143 30 10 JEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCN(c2c(F)cccc2OC)CC1 1595562018 LJFOQXRYTRTVGU-UHFFFAOYSA-N 485.589 2.410 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)O[C@@H](c2ccsc2)C1 1595603113 XYAMCGQGWDOLDP-YTXYEVPYSA-N 461.588 2.332 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCC(NC(=O)c2ccccc2)CC1 1595812138 OCTZYVMEWXLKRN-UHFFFAOYSA-N 457.600 2.230 30 10 JEEE COc1cc(OC)cc(N2CC[C@H](CNC(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)C2)c1 1596020595 DYQUDJNAWUZMND-LJQANCHMSA-N 457.552 2.133 30 10 JEEE C[C@H](C#N)CN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC1(N(C)C)CCOCC1 1596840006 ASYYUWFYENHVEL-HSZRJFAPSA-N 494.688 2.349 30 10 JEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC(c2ncc(C(F)(F)F)[nH]2)CC1 1597561155 HWIABXIOPCONNT-LBPRGKRZSA-N 455.462 2.373 30 10 JEEE CC(C)Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCNC(=O)OC(C)(C)C 1603682791 FJGMYSRGNHPRFU-QGZVFWFLSA-N 469.594 2.378 30 10 JEEE CC1(C)COCCN1CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@](C)(C#N)C1 1611765120 FMKSPGPAQAWAKD-QHCPKHFHSA-N 452.563 2.166 30 10 JEEE C=CCN1CCC(NC(=O)N2CCCN(S(=O)(=O)c3cccc4cnccc34)CC2)CC1 1631231922 IGZKHQMBFXNTHG-UHFFFAOYSA-N 457.600 2.291 30 10 JEEE CN(C)S(=O)(=O)c1ccsc1C(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1 1632221257 FOGDARKRYHBPDZ-UHFFFAOYSA-N 455.565 2.381 30 10 JEEE Cc1nc(C#N)c(N2CCN(C(=O)CN[C@@](C)(CO)c3cccc(C(F)(F)F)c3)CC2)o1 1647812516 AQVNPUBYXRYWSB-FQEVSTJZSA-N 451.449 2.019 30 10 JEEE CCOC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)c1ccc(C#N)c(Cl)c1 1660589969 FVQBWBPAIMZVIR-MRXNPFEDSA-N 457.936 2.385 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2cccc(C)c2C)n1Cc1ccn(C)n1)[C@H]1CCS(=O)(=O)C1 1689979441 BETDAYSWXCKFCG-FPOVZHCZSA-N 482.610 2.443 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CC[C@@H](OC)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1689984043 KDMQLJPLGBDJLD-GDBMZVCRSA-N 460.478 2.441 30 10 JEEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCc1ccccc1C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1689987898 FABGSSHSVCIZFW-FUHWJXTLSA-N 495.527 2.117 30 10 JEEE C#CCN(c1nnc(COc2ccccc2OCC)n1Cc1cc(C)no1)[C@H]1CCS(=O)(=O)C1 1689997102 VZPLMFBQFFJVJY-SFHVURJKSA-N 485.566 2.227 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H](c1ccco1)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1689998336 JPMSGUQUDCGFIQ-SFHLNBCPSA-N 475.615 2.432 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCCc1nc(C)no1 1690000360 ZUPXBCWLGWDTCL-UHFFFAOYSA-N 451.918 2.259 30 10 JEEE C#CCN(CC)c1nnc(-c2cc(F)ccc2Br)n1CCNC(=O)c1cc[nH]n1 1690062662 YHVCXBKHPWYTPW-UHFFFAOYSA-N 460.311 2.459 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H](C)Oc2ccccc2C)CC1 1690113629 PDZOJTGPLAJDPT-PXDATVDWSA-N 453.587 2.461 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CC[C@@H](F)C2)CC1 1690136633 HVLFJRLTFOZQEH-SJLPKXTDSA-N 453.522 2.029 30 10 JEEE C#CCSCCn1c(N2CCN([C@H](C)C(F)(F)F)CC2)nnc1[C@]1(OCC)CCOC1 1690186842 VXIMQDBWQMBSOT-APWZRJJASA-N 461.554 2.369 30 10 JEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C[S@@](C)=O)cc2)CC1 1690396520 FFBMLMNRINBKMK-BEIWTESXSA-N 465.645 2.218 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCSC2(CCOCC2)C1 1690661855 JFKUGTJFPZJBIO-UHFFFAOYSA-N 495.447 2.451 30 10 JEEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1690676170 RSJBNIPCSLSRJG-UHFFFAOYSA-N 454.575 2.162 30 10 JEEE C=CCOc1ccc(Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCN(C(=O)NC)CC2)cc1 1690681587 UKJBKHKHVVDROX-FPOVZHCZSA-N 470.574 2.077 30 10 JEEE CC(=O)NC[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cnn(C)c2C)C1 1690942010 FBKYARDPLYMYDM-FQEVSTJZSA-N 462.558 2.172 30 10 JEEE CCN(CC)C(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)N2CCOCC2)CC1 1695601871 GXRLVETYXHLCOK-FQEVSTJZSA-N 480.617 2.121 30 10 JEEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ncccc2N(C)C)C[C@@H]1C 1698086996 BVHJNDPCNTZZRU-IBGZPJMESA-N 460.586 2.483 30 10 JEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ncccc1N(C)C 1705552322 XSHDDMCCTNLNPJ-IBGZPJMESA-N 455.563 2.165 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1nccs1 1705619451 QUINHLJMBNFHCS-HNNXBMFYSA-N 462.576 2.366 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccncc2)n1C[C@H]1CCCN1S(C)(=O)=O 1705620468 URYZANXPAHYUEV-JOCHJYFZSA-N 482.585 2.467 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1(O)CCN(C(C)C)CC1 1705623500 UCRFZADHORPIOV-UHFFFAOYSA-N 456.547 2.175 30 10 JEEE C#CCN1CCN(c2nnc(C3CCCC3)n2CCOc2ccc(S(C)(=O)=O)cc2)CC1 1705639463 OXQDEYOYCQCHDE-UHFFFAOYSA-N 457.600 2.173 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H](c1ccc(C)cc1)N1CCOCC1 1722274665 VSGOCNUARPCQBW-IRLDBZIGSA-N 450.587 2.354 30 10 JEEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1CCc1ccc(OCC(F)(F)F)nc1 1722299585 QXFZGZIKIIRVCV-HNNXBMFYSA-N 450.465 2.437 30 10 JEEE C#CCCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCCN(S(C)(=O)=O)CC1 1722311635 IIZDJHDQNPNLBG-UHFFFAOYSA-N 461.588 2.238 30 10 JEEE C#CCCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCN(CC(=O)NCC)CC1 1722315234 YCEGOASNKNMUGO-UHFFFAOYSA-N 460.586 2.192 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Br)n1C[C@H](C)OC)[C@H]1CCS(=O)(=O)C1 1722364429 ZSVPHSNOVWCKBV-GJZGRUSLSA-N 467.389 2.369 30 10 JEEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1CCc1ccn(C)n1)[C@@H]1CCS(=O)(=O)C1 1722370358 NMYMDOYQKHVVQN-LJQANCHMSA-N 489.001 2.113 30 10 JEEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC1(O)CCS(=O)(=O)CC1 1722405074 GJIUHFLTZXGCGO-INIZCTEOSA-N 466.991 2.471 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCC)n1 1722429613 OYOPAYCXXLLOMT-UHFFFAOYSA-N 460.542 2.085 30 10 JEEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 1722617637 LQGUYJLQQOYSNQ-SJORKVTESA-N 453.609 2.497 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](c2cccc(OC(F)F)c2)C1 1722698155 UTYYIBJSJQBYGJ-SFHVURJKSA-N 473.484 2.160 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 1722725303 IRRLRBQLUJIDPZ-UHFFFAOYSA-N 472.615 2.312 30 10 JEEE CC(=O)N1CCN([C@@H]2CN(c3nnc(COc4ccc(C#N)cc4)n3CCOC(C)C)C[C@H]2C)CC1 1722798547 LRHXOBDZNBLSCB-HYBUGGRVSA-N 495.628 2.143 30 10 JEEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2C[C@@H](C)C[C@H](C)C2)CC1=O 1730784487 AQZZBMVJXKPBRV-SFTDATJTSA-N 479.629 2.480 30 10 JEEE C#CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCCC(=O)NC 1740574770 NEBVSXYUORSTNR-GOSISDBHSA-N 462.595 2.352 30 10 JEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C)cc2)C(=O)C1 1740575991 XDFITFSTMZLHLX-LJQANCHMSA-N 455.584 2.145 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](CC)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1740619617 KOQZSAGRSZJKPP-MOPGFXCFSA-N 477.034 2.495 30 10 JEEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1Cc1cc(C)on1)[C@H]1CCS(=O)(=O)C1 1740625354 QEQKWDDZXOUXNZ-FQEVSTJZSA-N 469.567 2.445 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1740627337 GKSGNVLGEKBTKV-XUVXKRRUSA-N 464.632 2.250 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@@H]1CCC[C@H]1OC)[C@@H]1CCS(=O)(=O)C1 1740628392 PYYAVPQBJOOXSN-FBBABVLZSA-N 476.574 2.438 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(C)c(Br)c2)n1CCC(=O)N1CCOCC1 1740635510 KKVDXYRFWKSINM-UHFFFAOYSA-N 470.371 2.338 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCNC(=O)C1CCC1 1740653177 CNQZFBVQLAKDSE-UHFFFAOYSA-N 485.592 2.444 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2ccc(C)cc2O[C@@H]2CCOC2)CC1 1740707744 OFRIPGCUJPVYOZ-JOCHJYFZSA-N 481.597 2.305 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)CCC1CCOCC1 1740752648 YVVHIIVYZKDBJX-NEWSRXKRSA-N 455.625 2.122 30 10 JEEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(O)(C(F)(F)F)CC1 1740786941 UFAMWGKBSBLVHU-UHFFFAOYSA-N 454.453 2.412 30 10 JEEE C=CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(S(=O)(=O)N(CCC)CCC)CC1 1740947338 XTDMPACCCUOYFO-NRFANRHFSA-N 490.630 2.465 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1740956076 GDYQLCFUFUXZOF-UHFFFAOYSA-N 486.020 2.035 30 10 JEEE C=CCSCCn1c([C@H]2CCOC2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1741003483 VWAUSPYRQIDZLH-PMACEKPBSA-N 456.616 2.050 30 10 JEEE CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1Cc1ccc([C@@H](C)O)cc1 1747186896 CRZGNUHNYOJSFE-GOSISDBHSA-N 464.574 2.156 30 10 JEEE CCOCc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1Cc1cnn(CCOC)c1 1747187285 GYOCNZDKJRKGTA-UHFFFAOYSA-N 468.537 2.043 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H]1CC(=O)N(CCOC)C1 1748668355 JKPNXTGFANCAIW-RTBURBONSA-N 488.633 2.345 30 10 JEEE C#CCN(c1nnc([C@H](C)OCCOC)n1Cc1ccc(Cl)s1)[C@H]1CCS(=O)(=O)C1 1748805510 SZBLGXPGSCOOKC-GJZGRUSLSA-N 473.020 2.392 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC(=O)Nc1cccc(Cl)c1C 1748962911 UFMGSCOATWLCRI-QGZVFWFLSA-N 494.017 2.257 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H](C)N2CCN(CC)CC2)CC1 1748993189 QNCUVAJMDYPIKM-OAQYLSRUSA-N 470.065 2.304 30 10 JEEE C=C(Br)Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1749108971 ABQIFITZIJAGSW-QFBILLFUSA-N 451.369 2.433 30 10 JEEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1749352319 LFIYEBLXLZHNMN-CTNGQTDRSA-N 471.650 2.105 30 10 JEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2cc(F)cc(F)c2C1 1749426557 FMQSQSAPOJWLQW-LJQANCHMSA-N 467.542 2.418 30 10 JEEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1749752241 MXZACNFDWDIKDH-MRXNPFEDSA-N 461.592 2.384 30 10 JEEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCNc2ccccn2)CC1 1749877561 UOTKBLWDPUCQOZ-UHFFFAOYSA-N 460.542 2.294 30 10 JEEE CC(C)CN1C[C@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCNC(=O)C(C)C)CCN2C1=O 1750829410 AANGUZLHPFVRDP-OAQYLSRUSA-N 478.601 2.171 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CC3)n2CCN2CCOC(C)(C)C2)c1 1760127801 MRMXDWNUCQNARS-UHFFFAOYSA-N 450.587 2.398 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@H]1CCCCN1CCC)[C@@H]1CCS(=O)(=O)C1 1760183681 CRSZBYVSIMFTCY-WOJBJXKFSA-N 458.632 2.175 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@@H]1CCC[C@@H]1OC)[C@@H]1CCS(=O)(=O)C1 1760190403 QEEPMVXYQWPEKW-ZVDOUQERSA-N 460.575 2.450 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(F)cc1C(F)(F)F 1760205454 BNMQQJMGZSWMLG-HNNXBMFYSA-N 454.449 2.459 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(OC)c(OC)c2)CC1 1760270462 XXEOVZZOAMABCF-FQEVSTJZSA-N 467.570 2.203 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2CCCO[C@H]2C(C)C)CC1 1760273567 YHZQRNLHFCPCJB-LDVJMBRRSA-N 487.645 2.419 30 10 JEEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(c2cnccn2)CC1 1760277471 LTLVQRAYMLWVLH-UHFFFAOYSA-N 465.583 2.445 30 10 JEEE C=C(C)COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1760352237 SPAMDLPMXCEWBK-UHFFFAOYSA-N 483.573 2.190 30 10 JEEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1760359185 HSPRJQMRRLPBKE-NRFANRHFSA-N 459.664 2.443 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 1760373910 DWRXWSWTRZMINF-MAUKXSAKSA-N 470.039 2.408 30 10 JEEE C=C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC2(C(N)=O)CCCC2)CC1 1760384155 LXYBJBZJJAYISL-UHFFFAOYSA-N 472.615 2.398 30 10 JEEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](c2nnc3n2CCC3)C1 1760406369 BSCBDHKPJSUECB-IRXDYDNUSA-N 476.651 2.412 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCS[C@@H](C)[C@H]1C 1760521848 FTTOXUOUMMXCCV-IKGGRYGDSA-N 480.635 2.219 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1C[C@H](O)CC2(CCCC2)C1 1760557024 XUXAUOVAUQIZOO-GOSISDBHSA-N 465.645 2.366 30 10 JEEE C[C@H]1CCCN(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)C1 1762920475 HUYRWWTVYSXXBM-SIKLNZKXSA-N 486.642 2.474 30 10 JEEE CCN(CC)C(=O)CCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2C#N)CC1 1766556961 CQARKUMJKOIQTK-HXUWFJFHSA-N 478.601 2.076 30 10 JEEE CNC(=O)CC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)N2CCOCC2)CC1 1767742359 FZMJDOWVNCURKT-UHFFFAOYSA-N 495.628 2.192 30 10 JEEE COc1cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H](C)CN2CCCC2)cc(OC)c1OC 1769826840 DUWBMGOPAKGBCS-MJGOQNOKSA-N 470.574 2.432 30 10 JEEE COc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(CCCN3CCOCC3)C2=O)c(OC)c1 1863415790 HDBAKYZPYBRCKI-UHFFFAOYSA-N 476.533 2.490 30 10 JEEE C=CCN(CC=C)C(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)C1CCN(C(=O)C(F)(F)F)CC1 1869068372 NAXPILJLSPDLSW-LJQANCHMSA-N 467.488 2.421 30 10 JEEE CCN(CC)Cc1cc(=O)c(OCC(=O)Nc2sc3c(c2C#N)CCC3)cn1CCNC(C)=O 1870324501 NAYZNKJHHQEZPN-UHFFFAOYSA-N 485.610 2.266 30 10 JEEE C=CCOc1cn(C[C@H](c2ccccc2)N2CCCC2)c(CN2CCN(CCO)CC2)cc1=O 1870387080 PIIDKBPIXZUWCU-RUZDIDTESA-N 466.626 2.360 30 10 JEEE CCCCCCCCn1cc(OCC(=O)NCCN(CC)CC)c(=O)cc1CN(C)CCO 1870535520 YEXZVIGTVJDBDK-UHFFFAOYSA-N 466.667 2.470 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)Nc2nnc(C)s2)cn1CCCn1ccnc1 1870572826 WLKSDUHPWXLGGC-UHFFFAOYSA-N 483.598 2.487 30 10 JEEE N#Cc1c(NC(=O)COc2nonc2C(=O)Nc2ccc3c(c2)OCO3)sc2c1CCC2 1872691461 GUFPEPCOEOGVGS-UHFFFAOYSA-N 453.436 2.490 30 10 JEEE CC(C)N1C[C@H](c2nnc(SCC(=O)Nc3nccs3)n2/N=C/c2ccccn2)CC1=O 1874338063 MLFHFVMXSBZBJY-LOLZCCBGSA-N 470.584 2.467 30 10 JEEE C=CCn1c(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc2c(NCCN(C)C)ncnc21 1875230636 IOWRBZSXHCJSAK-UHFFFAOYSA-N 478.557 2.461 30 10 JEEE C[C@@H](NS(=O)(=O)c1ccc(Oc2ccccc2Cl)cc1)C(=O)NCC#CCN1CCOCC1 1891817119 PQNRXOUPTOLURS-GOSISDBHSA-N 491.997 2.251 30 10 JEEE CC(C)(C)OC(=O)N[C@]1(C(=O)NCCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C[C@H](O)C1 2193522269 AANFNYOPFXRPHS-OWWJJEGGSA-N 460.380 2.063 30 10 JEEE N#C[C@H]1CN(S(=O)(=O)c2ccc(Br)cc2NN)CCN1Cc1ccccc1 2240030162 ANVMDGLUUHAOFL-INIZCTEOSA-N 450.362 2.133 30 10 JEEE CC(C)(C)OC(=O)NC[C@H](O)CNC(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2255638711 BJSFRWOHVYPXCZ-CYBMUJFWSA-N 454.760 2.255 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](NS(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)CO1 2255802742 DBZHFCKLDDUMQG-CQSZACIVSA-N 474.410 2.018 30 10 JEEE CC1(C)OB(c2cc(F)ccc2S(=O)(=O)NCCNOCc2ccccc2)OC1(C)C 2255804173 ZVKCGXZUKAGXCU-UHFFFAOYSA-N 450.341 2.125 30 10 JEEE CN(CC1CN(C(=O)OCc2ccccc2)C1)C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2255815640 QPZVAGXLSJTWDD-UHFFFAOYSA-N 468.363 2.060 30 10 JEEE CN(C)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1Oc1nccc(B2OC(C)(C)C(C)(C)O2)c1F 2265996937 CGRZZWOIYJKORJ-CVEARBPZSA-N 451.348 2.448 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H](O)C2)s1 2267094216 CNNNFPVVIRKVFQ-HNNXBMFYSA-N 466.409 2.410 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(F)c(C(=O)NC[C@H](O)CNC(=O)OC(C)(C)C)c1 2267161505 BZKFYQYLQHFBMI-AWEZNQCLSA-N 452.332 2.049 30 10 JEEE Cc1cc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2O)sc1B1OC(C)(C)C(C)(C)O1 2267229557 AHLYGSRDOOWTJG-HUUCEWRRSA-N 466.409 2.456 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2csc(B3OC(C)(C)C(C)(C)O3)c2)[C@@](C)(CO)C1 2267277840 UXPSJIFHKGBJGM-JOCHJYFZSA-N 466.409 2.491 30 10 JEEE C[C@H]1CN(Cc2ccccc2)CCN1S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2267351066 SDJWVLPOBBWGFN-SFHVURJKSA-N 457.405 2.276 30 10 JEEE CC(C)(C)OC(=O)N1CCN(NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2Cl)CC1 2267536685 DRPUDPKRUIJPPR-UHFFFAOYSA-N 466.775 2.232 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N(Cc1ccccc1)C[C@@H]1CCCO1 2267715753 BWNFQJUDHARCLC-SFHVURJKSA-N 461.393 2.089 30 10 JEEE CC1(C)OB(c2cc(NCCn3cnc(I)c3)ccc2N)OC1(C)C 2267816021 NEWSFUOWTPFXDK-UHFFFAOYSA-N 454.121 2.481 30 10 JEEE CN(Cc1csc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)C1(NC(=O)OC(C)(C)C)CC(O)C1 2268709407 AVQIBZSSNYSGHL-UHFFFAOYSA-N 466.409 2.424 30 10 JEEE CN(C[C@@H](O)CN(C)C(=O)c1cc(F)ccc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2281763105 LQSICYFDLWGKKM-INIZCTEOSA-N 466.359 2.425 30 10 JEEE Cc1c(C(=O)NC[C@@H]2CCC[C@H]2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281990061 ICZYGLGXYKUOHI-JKSUJKDBSA-N 462.400 2.451 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H](NC(=O)OC(C)(C)C)CC(F)(F)C1 2282048638 OMXXVFBWVAOYTF-ZDUSSCGKSA-N 470.326 2.094 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2COCCN2Cc2ccccc2)n1 2282051462 UHWGOXVPFCNTOK-FQEVSTJZSA-N 451.376 2.320 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCOC[C@H]1OCc1ccccc1 2282057932 NETJMOXJQUZVNJ-RBUKOAKNSA-N 455.364 2.132 30 10 JEEE Cc1c(B2OC(C)(C)C(C)(C)O2)cccc1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1O 2282112210 YUDAEXLJZGINBO-RBUKOAKNSA-N 460.380 2.394 30 10 JEEE CC(C)(C)OC(=O)N1CC(F)(CNS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2282313551 MQWYAOOUWIZQQV-UHFFFAOYSA-N 488.362 2.362 30 10 JEEE C[C@H]1C[C@H](NS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CN(C(=O)OC(C)(C)C)C1 2282348122 HPZNBUMTPMOPPN-RDJZCZTQSA-N 481.424 2.305 30 10 JEEE CCc1nc(C(=O)N2CCOC[C@@H](NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2282525522 QVDPNCXMADGIAR-AWEZNQCLSA-N 481.424 2.370 30 10 JEEE CC(C)(C)OC(=O)NC1CCN(CCNC(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)CC1 2282536789 HLVPMXJBQMZUKT-UHFFFAOYSA-N 463.384 2.298 30 10 JEEE C[C@@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2CN1C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282552455 KFEDALRTMQOVMS-PMPSAXMXSA-N 460.384 2.047 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1[C@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2 2282582343 VJACIDHIZSJYSI-ARFHVFGLSA-N 460.384 2.013 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1N(C(=O)OC(C)(C)C)CC1(C)C 2282587919 QGFBKFNNKJJCCH-HNNXBMFYSA-N 462.400 2.403 30 10 JEEE C[C@@H]1CC[C@@H](NC(=O)C(F)(F)F)CN1C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1O 2282816148 IREIJVYVXWJDMC-TZMCWYRMSA-N 456.270 2.363 30 10 JEEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)N2C[C@H]3C[C@H]2CN3C(=O)C(F)(F)F)OC1(C)C 2282837471 FCLWBKBPKORMQA-NEPJUHHUSA-N 494.728 2.175 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC[C@@H]1CCCCN1Cc1ccccc1 2282854184 OKRIDHGLYAJURF-IBGZPJMESA-N 474.436 2.052 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCOC[C@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1O 2282883710 DYUNNPRXEYEWGL-DLBZAZTESA-N 462.352 2.103 30 10 JEEE CC1(C)OB(c2ccc(O)c(C(=O)NCC3CCN(C(=O)C(F)(F)F)CC3)c2)OC1(C)C 2282973283 ATUBITNVKLKVTJ-UHFFFAOYSA-N 456.270 2.222 30 10 JEEE Cn1nc(CNC(=O)OC(C)(C)C)cc1C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2283960876 CJQDOGNBPZLMLE-UHFFFAOYSA-N 457.340 2.391 30 10 JEEE C[C@H](NS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1)[C@H]1CCCN1C(=O)OC(C)(C)C 2286905829 FCVCFBAJLSOQBH-MAUKXSAKSA-N 481.424 2.447 30 10 JEEE Cc1cc(C(=O)N(C)CC2(O)CN(C(=O)OC(C)(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2287303698 MKJNYHKOJHVQHC-UHFFFAOYSA-N 460.380 2.348 30 10 JEEE CCCNC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1N=Cc1ccc2c(c1)OCCO2 2329013024 DHMAKSMQOGOESV-QGZVFWFLSA-N 486.598 2.274 30 10 JEEE CC(C)(C)OC(=O)N1CC(F)(F)[C@@](C)(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2336408485 SYBLLYSLHVBEFW-IBGZPJMESA-N 456.299 2.083 30 10 JEEE Cn1ncc(C(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)CC23CC3)c1B1OC(C)(C)C(C)(C)O1 2361527827 QEQNKMGOOCOLOX-HNNXBMFYSA-N 460.384 2.096 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2C[C@@H](CN(C(=O)OC(C)(C)C)C2)C1 2362348919 VJNJAQXLXFOIHJ-HZPDHXFCSA-N 460.384 2.048 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N=c1[nH][nH]cc1CNC(=O)OC(C)(C)C 2380499838 VUNRGZDKVDSKML-UHFFFAOYSA-N 457.340 2.111 30 10 JEEE COc1ccc(N2CCN(C(=O)c3cccc(/N=C4\N[C@H]5CS(=O)(=O)C[C@@H]5S4)c3)CC2)cc1 9860384 OEVZNZBTROSDML-SFTDATJTSA-N 486.619 2.147 30 10 JEEE COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccccn2)cc1OC 102711250 DNZMJSFXBMPFPO-VFJWVMJUSA-N 467.522 2.243 30 10 JEEE COC(=O)c1[nH]c(C)c(/C(O)=C2/C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccco2)c1C 103112831 JEVWJBCBEYAHDT-HWCXCKHPSA-N 471.510 2.155 30 10 JEEE CCOC(=O)[C@@H]1CCCN(c2nc(=O)c3c([nH]2)NC(=O)[C@@H](C#N)[C@H]3c2cc(F)cc(F)c2)C1 203568746 XOKBNUBNQBVACZ-XFBWCDHKSA-N 457.437 2.051 30 10 JEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(C)n(-c3ccccc3)c2C)c(=O)n1C[C@@H]1CCCO1 916197475 UJSDMGVZDSYJIZ-QFIPXVFZSA-N 488.613 2.302 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)NC[C@@H]2CC(c3ccc4c(c3)CCO4)=NO2)ccc1F 1155558840 RISJZWUXOILGHG-KRWDZBQOSA-N 459.499 2.148 30 10 JEEE C=CC[C@H](NS(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1OC)C(=O)OCC 1189088324 MQZKJUYOWDWYAS-NSHDSACASA-N 451.295 2.460 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C)n2Cc2ccc(N3CCO[C@H](C)C3)nc2)c1 1286308190 GFKNAQCEIGFHJF-GOSISDBHSA-N 459.554 2.311 30 10 JEEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H](N1CCOCC1)C(F)(F)F 1286369364 NICLHIKRXXOLGU-SFHVURJKSA-N 489.502 2.007 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H](C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 1286388754 VGHQKDDSJHJQFF-UGKGYDQZSA-N 466.611 2.175 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1286424953 ROVKTZNKRYDZSH-OYRHEFFESA-N 487.612 2.272 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](c2cccnc2)C(C)C)CC1 1286490715 PSKQLGCNXSFZSO-RTWAWAEBSA-N 463.586 2.030 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N1CCC(C(=O)NCCCOCC)CC1 1286542034 QIANNIUJPCOJHP-QGZVFWFLSA-N 470.412 2.450 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c(C)nnc1N1CCN(c2cncc3ncnn23)CC1)C(C)C 1286751198 MXOWBXYJDHVSOI-HXUWFJFHSA-N 450.595 2.049 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCCS(=O)(=O)C1 1286763342 XGBJOARKRTYAJR-NRFANRHFSA-N 471.627 2.460 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1286797461 XVWONGJVBPAGNU-UHFFFAOYSA-N 496.612 2.105 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C2CCC2)CC1 1286824339 BCPAKQCXVATNSE-WOJBJXKFSA-N 465.664 2.472 30 10 JEEE CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C(C)C)N2CCCC2)CC1 1296288718 HVPCCHIPUHLGTI-QHCPKHFHSA-N 478.645 2.195 30 10 JEEE COc1cc(Cl)ccc1-c1nnc(N2CCO[C@H](C#N)C2)n1CC1(N(C)C)CCOCC1 1299909524 BZNOFOYFBWVBKJ-QGZVFWFLSA-N 460.966 2.447 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2CCCN2CCN(CC)CC2)c1 1300334114 HWTGCAYMKCNXKU-HSZRJFAPSA-N 493.656 2.256 30 10 JEEE C#CCCCn1c(N2CCN(Cc3cccc(F)c3)C(=O)C2)nnc1[C@]1(OCC)CCOC1 1300424521 IXTKGVGOQCJXEB-DEOSSOPVSA-N 455.534 2.332 30 10 JEEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1CCC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1300504357 MPMGWGRKKHJYTR-KRWDZBQOSA-N 466.991 2.298 30 10 JEEE C#CCSCCn1c(Cc2cccnc2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1300766525 DYAXYHMTBLMKJT-NZQKXSOJSA-N 481.670 2.009 30 10 JEEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H]2CCCCCC[C@@H]21 1300989711 FRYXERABIVCYEI-UFYCRDLUSA-N 467.636 2.363 30 10 JEEE C=CCC(C)(C)Cn1c(-c2ccccc2OC)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1301146139 TWEOMZXZADUMCD-UHFFFAOYSA-N 466.586 2.483 30 10 JEEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1301223172 OJQAWCFYYBCGGX-OAQYLSRUSA-N 454.600 2.340 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@H]1CSC 1301589362 RFDNHKJEVGMTAQ-IBGZPJMESA-N 491.687 2.385 30 10 JEEE COCCN(CCC#N)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccc(F)cn1 1301803034 IBFNJSPPPWIGJP-UHFFFAOYSA-N 458.519 2.297 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC(=O)N1CCOCC1 1301967467 DNVIIMJOIIIQCJ-MOPGFXCFSA-N 489.621 2.237 30 10 JEEE COC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2CCS(=O)(=O)CC2)CC1 1315092635 FXPOLIKRFJCEMU-UHFFFAOYSA-N 457.556 2.031 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2CCNC(=O)OC(C)(C)C)c1 1358903179 NKSMCNYZCJRAOB-UHFFFAOYSA-N 456.547 2.396 30 10 JEEE C#CCN(c1nnc(C(C)C)n1Cc1ccc(C)cc1N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1358955440 LZDCNTOOQBKYIM-NRFANRHFSA-N 471.627 2.222 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1CCCOC(C)C)[C@@H]1CCS(=O)(=O)C1 1358957667 YBHBMPLFFWYTML-QGZVFWFLSA-N 498.447 2.488 30 10 JEEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCCCS1)[C@@H]1CCS(=O)(=O)C1 1358966363 NIIXKZGHXXJUGI-IAGOWNOFSA-N 493.680 2.182 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCc2noc(CC)n2)CC1 1359042135 SZHHTRCLDOFSNH-UHFFFAOYSA-N 493.568 2.116 30 10 JEEE C#CCSCCn1c(-c2cccn2C)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1359053972 GEHLSURAZAMPDA-UGKGYDQZSA-N 469.659 2.029 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)NCCCC)CC1 1359097451 PGANNSFSTMTBGE-DYXWJJEUSA-N 458.607 2.343 30 10 JEEE C=CC[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC(=O)N(C)C[C@@H]1C)c1ccccc1 1359195416 MAUOOQSIGQOETF-DFQSSKMNSA-N 457.600 2.207 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CCCS(=O)(=O)C1 1359254655 YXNFHLFJZUUWKH-AZUAARDMSA-N 473.599 2.255 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1CC1(N(C)C)CCOCC1 1359256024 RXFPFXHQSUWLLS-NRFANRHFSA-N 463.586 2.404 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCSCC1)C(C)C 1359265668 KCLNAWTWTWUISP-OALUTQOASA-N 453.678 2.432 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@]2(CCCOC2)C1 1359293476 QRRHATZOUAPFKQ-HXUWFJFHSA-N 463.380 2.355 30 10 JEEE C=CCNC(=O)Cn1c(N2CC[C@@H](OCC=C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1359305909 QKIXKIHXSDNWJB-FGTMMUONSA-N 460.579 2.132 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Br)s2)nnc1N1CCNC(=O)[C@H]1CC 1359328733 MTLZYOVIXGFWLA-GFCCVEGCSA-N 488.433 2.085 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1359329233 CGFQYALLPZSCJW-JKSUJKDBSA-N 470.910 2.453 30 10 JEEE CN(C(=O)C/N=C1/NS(=O)(=O)c2ccccc21)[C@H](c1ccc(Cl)cc1)c1cnccn1 1457456027 DAIDHRNJFBJYLN-HXUWFJFHSA-N 455.927 2.417 30 10 JEEE C=CCn1nc(C)c(-c2cc(C(=O)N(Cc3cccnc3)[C@H]3CCS(=O)(=O)C3)n[nH]2)c1C 1465392780 OJEIWQALCLGWRS-SFHVURJKSA-N 454.556 2.301 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H]2CCCN2CC)c1 1507548838 DCQGMFRYHZIZAY-BKMJKUGQSA-N 480.613 2.471 30 10 JEEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(S(C)(=O)=O)CC1 1507558909 VGHQJBMTBBADAW-UHFFFAOYSA-N 493.655 2.012 30 10 JEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc(C[S@](C)=O)cc1 1507607723 CDQMQQMTAIGXSJ-YTTGMZPUSA-N 470.624 2.234 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1Cc1cnn(C)c1C)[C@H]1CCS(=O)(=O)C1 1507626471 FWWCEPQNKHCSOG-SFHVURJKSA-N 489.001 2.324 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CC2(O)CCN(C(C)C)CC2)CC1 1507733178 ZDNPIIRRCJTVNN-UHFFFAOYSA-N 480.657 2.464 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](C(=O)OC)C1 1507798979 UUIOLXBNDFONLO-NSHGMRRFSA-N 474.583 2.329 30 10 JEEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1507833283 IAFGNIZQEDJKND-UYAOXDASSA-N 485.658 2.225 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C(F)(F)F)C1 1507867993 CNVJJQPPFUOAGD-OLZOCXBDSA-N 457.906 2.142 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1507915312 BDWYRNNMUWVIHF-LJQANCHMSA-N 469.615 2.376 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CCC(S(=O)(=O)CC)CC1 1508075974 CHIKXOOZBNOKAW-UHFFFAOYSA-N 496.431 2.413 30 10 JEEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1508089186 IVNIWVRAYWLMMH-NVXWUHKLSA-N 478.523 2.389 30 10 JEEE COc1ccc(CCc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H]2CCCCS2(=O)=O)cc1 1518201697 AIUFPXSTTWJJFR-KNQAVFIVSA-N 461.563 2.481 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCCO3)n2C[C@@]2(O)CCO[C@H]2C)c1 1539042169 COMCDBWQTNGALX-REIDKSKDSA-N 453.543 2.116 30 10 JEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 1539052669 IESUVZDXOAKPNZ-QFBILLFUSA-N 491.593 2.231 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCN(C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1539216516 TXMIHVVBGMGWJH-FQEVSTJZSA-N 452.584 2.032 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H](C)COc1ccccc1OC)[C@H]1CCS(=O)(=O)C1 1539231026 NRZMWENUGHSBGH-CNNODRBYSA-N 488.610 2.480 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)N[C@@H](C)c1ccccc1 1539267313 YLEPRSPBBIRMKT-PZJWPPBQSA-N 453.612 2.382 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCC(C)(C)O)CC1 1539447975 ZVUKLETVLQSOBH-IBGZPJMESA-N 460.623 2.309 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCc2nccnc2C)CC1 1539462415 GOVHUKCODFZZNB-BGYRXZFFSA-N 480.617 2.145 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2Cc2ccc(N3CCOCC3)c(F)c2)CC1 1539467575 VSBUGHZCEGHYJE-UHFFFAOYSA-N 468.577 2.391 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(Cl)c(OC)c2)CC1 1539489898 ZRJRQQKZIDZHSU-UHFFFAOYSA-N 484.988 2.077 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(CCC(N)=O)CC1 1539644265 GIDPCMRCZHGPDL-LGGPRVQUSA-N 461.607 2.465 30 10 JEEE C=C(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1539688546 GWYFTKYWBHOQLJ-UHFFFAOYSA-N 479.603 2.407 30 10 JEEE C=C(C)COCCn1c(COc2ccc(F)cc2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1539758549 JUQZTJSYNVGGLH-XMMPIXPASA-N 486.548 2.403 30 10 JEEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1c(C)nn(Cc2ccccc2)c1C 1540047255 FVVYRTOUPROIEF-QGZVFWFLSA-N 457.604 2.420 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1[C@H]1C[C@H]1C 1540129177 SLWLXOVAMGLEPV-UXPWSPDFSA-N 456.572 2.256 30 10 JEEE C=CCn1c(COc2ccccc2OC)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1540860310 APCWLXKYLHZLFD-UHFFFAOYSA-N 451.531 2.485 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1540867503 YJTNRBLPXBBWEL-MRXNPFEDSA-N 487.486 2.300 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1540903181 ACPNRLWOORQEBH-GOSISDBHSA-N 491.017 2.234 30 10 JEEE CC(=O)N1CC[C@H](CN(C)c2nnc(COc3ccc(C#N)cc3)n2CCN2CC=CCC2)C1 1540947653 SCHANUAKRSCRDJ-JOCHJYFZSA-N 463.586 2.295 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCCC(F)(F)F 1541942405 CYBPZERNAWCIKR-HNNXBMFYSA-N 485.536 2.429 30 10 JEEE CCO[C@]1(c2nnc(N3CCC(CC#N)CC3)n2C[C@H](C(C)C)N2CCOCC2)CCOC1 1547887618 AONKTVWYLSEGRB-ZJSXRUAMSA-N 460.623 2.417 30 10 JEEE CCOc1ccc(O[C@H](C)c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H](C)N2CCOCC2)cc1 1547978655 HGKNIMVSRCBFKK-JQVVWYNYSA-N 470.574 2.266 30 10 JEEE COC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1554572208 HCWMKBGHPKUERR-FQEVSTJZSA-N 451.575 2.238 30 10 JEEE COC[C@H](Cn1c(CC2CCCC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C)OC 1555257875 IBGFNFHJNNZVJL-HKUYNNGSSA-N 454.579 2.049 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1Cc1nccn1C(F)F)[C@@H]1CCS(=O)(=O)C1 1588069470 OQAQTDYDTUIZQL-MRXNPFEDSA-N 494.499 2.263 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(Br)cn2C)n1CCN1CCOC[C@H]1C 1588189198 FIZMCEYNHSGQQT-QGZVFWFLSA-N 459.392 2.230 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1c2ccccc2C[C@@H]1C 1588228254 CSCRCLLQMOABJW-PZJWPPBQSA-N 451.596 2.094 30 10 JEEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CCN(C[C@H]2CCOC2)CC1 1589088797 IYAIECIXVZTTQZ-HXUWFJFHSA-N 455.628 2.402 30 10 JEEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 1589484075 QYWLGBWUAYMORU-KKUMJFAQSA-N 465.414 2.170 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)N(C)CC 1589663412 NCUUUBQYQLQHHQ-KRWDZBQOSA-N 450.584 2.467 30 10 JEEE C=C(Cn1c(CC(C)(C)C)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1)c1ccccc1 1593788891 FFVWVAXXLILKCV-UHFFFAOYSA-N 478.601 2.047 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H]2COCCO2)CC1 1594241616 WEOLEHXFAOQXLY-OALUTQOASA-N 463.579 2.404 30 10 JEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(c2ncccc2F)CC1 1594680314 RKCDITHWCDQBQG-INIZCTEOSA-N 451.572 2.105 30 10 JEEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1595434596 JKJPJOUDBBTRJL-KRWDZBQOSA-N 471.631 2.025 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CC(=O)N(C)C[C@H]1C 1595490470 SPWUSFXRKGQFPG-GOSISDBHSA-N 461.570 2.322 30 10 JEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 1595569534 ISPGHYOLEASQGO-LJQANCHMSA-N 486.621 2.183 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1595831933 ZPMOSFYHCTXDPG-ZWKOTPCHSA-N 463.579 2.270 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@H](c1ccco1)N(C)C 1611662913 ANIMFONUIDRDKP-VQIMIIECSA-N 471.587 2.292 30 10 JEEE COc1cccc([C@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)[C@H](C)CC#N)N(C)C)c1 1619333722 GCNYWNHTKCJQHJ-POAQFYNOSA-N 460.604 2.230 30 10 JEEE C=CCOC[C@H](NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(F)cc2)c1)C(=O)OC 1626205174 YKMDFMORGZLLPH-SFHVURJKSA-N 450.488 2.409 30 10 JEEE CCOC(=O)N1CCC(S(=O)(=O)N2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)CC1 1663136060 BKIIUBDCIAEADC-IBGZPJMESA-N 454.980 2.473 30 10 JEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC2CCN([C@@H]3CCCC[C@H]3O)CC2)cc1 1673392122 FCVQPKYSLSCZAG-NHCUHLMSSA-N 450.605 2.383 30 10 JEEE C=CCn1cc(CNC(=O)N[C@H](c2ccc(OC)cc2)c2cccc(S(C)(=O)=O)c2)nn1 1678174518 QMRANNNXACGWSO-OAQYLSRUSA-N 455.540 2.465 30 10 JEEE COc1ccc(CN2CC[C@H](NC(=O)N3CCN(c4cccc(F)c4C#N)CC3)C2=O)cc1 1679131221 AZCRQCGPWBMYBX-NRFANRHFSA-N 451.502 2.339 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N1C[C@H]2C[C@H](NC(=O)OC(C)(C)C)C[C@@]2(C(=O)OC)C1 1686315632 UIIQOMYNOGYAQE-QGLBADPUSA-N 451.564 2.456 30 10 JEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2cccc(OC)c2)C1 1689876993 OCLNUNUEZCVTSY-PXNSSMCTSA-N 461.588 2.278 30 10 JEEE C#CCCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1689921189 XMXTXZNTXCTYTB-UHFFFAOYSA-N 482.585 2.340 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CCN(C)Cc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1689994144 RWSWEZCDUUTJAN-QHCPKHFHSA-N 496.612 2.162 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H](C)COC)CC1 1690140371 WYUQEYLNXOBCSI-QGZVFWFLSA-N 455.559 2.211 30 10 JEEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](Oc2ccccc2)C1 1690345740 CDAABWOCTSWHMA-RBUKOAKNSA-N 482.006 2.411 30 10 JEEE C=C1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2nncn2CC)CC1 1690375733 SBHSUCBBRVRTQI-KRWDZBQOSA-N 458.567 2.403 30 10 JEEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1690474301 ZFTWMCGTRVNCOS-PKOBYXMFSA-N 463.604 2.402 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1c(C)cccc1C)C1CC1 1690545685 WQFIVLCPGOCJMN-FQEVSTJZSA-N 475.615 2.462 30 10 JEEE C=CCN(CCOC)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@]1(O)CCN(C)C1 1690615600 LPNVMQPCYJRIPN-NRFANRHFSA-N 480.407 2.422 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2OC)nnc1N1CCN2CCCC[C@H]2C1 1690730173 ZICVUYMNWCQBPI-IBGZPJMESA-N 475.615 2.141 30 10 JEEE COCc1nc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@](C)(C(N)=O)C2)cs1 1697833168 CGIGIPHNDRJJOS-QFIPXVFZSA-N 467.555 2.082 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ccc(OCCO)c(OC)c1 1705491676 GRDRQKNJRAVHHR-IBGZPJMESA-N 491.596 2.338 30 10 JEEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1705519924 BNUGRYJVWRHROL-MRXNPFEDSA-N 455.544 2.342 30 10 JEEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(c2nc(C)cc(OCC)n2)CC1 1705520249 MYHUBAXYWZCYPB-UHFFFAOYSA-N 466.590 2.028 30 10 JEEE C#CCN(c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCCCCO)[C@@H]1CCS(=O)(=O)C1 1705561380 PMQJBFASNJDBEQ-LJQANCHMSA-N 468.583 2.125 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCN(C)C1CCCC1)[C@H]1CCS(=O)(=O)C1 1705562689 HYSDAUCHIMRFIL-IBGZPJMESA-N 477.034 2.495 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1CCCOc1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 1705564160 MDJMTTCIEVSYKC-FQEVSTJZSA-N 481.578 2.445 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@H]1CN(CC(C)C)CCO1)[C@@H]1CCS(=O)(=O)C1 1705570095 MOWJMRAGWXMQQO-DNQXCXABSA-N 499.681 2.047 30 10 JEEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1705657215 XEPGDYGADBYOER-IBGZPJMESA-N 472.640 2.291 30 10 JEEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1705663056 VAUNEKMJTMNQMM-UHFFFAOYSA-N 464.643 2.303 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCN(CC(C)C)C1 1705668238 HIZCIJJQUIHORW-NNMXDRDESA-N 450.653 2.248 30 10 JEEE C=C(Br)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](OCCOCC)C1 1705679698 WTAADMYZHKPPGM-HNNXBMFYSA-N 465.352 2.466 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)C[C@H]1CCCO1 1705900396 BBZHPQTXSGIDGB-QGZVFWFLSA-N 465.558 2.153 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCCN(C(=O)Cc2cccc(F)c2)CC1 1705902323 BWPIOMMWTKNJGD-OAQYLSRUSA-N 484.576 2.242 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1705933011 QYJBTJXGPFHZOS-FQEVSTJZSA-N 457.600 2.289 30 10 JEEE COC[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC2(CCN(C)C2=O)CC1 1712143553 BSSJJBVFUJRLPS-GOSISDBHSA-N 452.559 2.460 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@H](c1ccco1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1722361390 HSMTYVDCHPXKDV-TZIWHRDSSA-N 483.594 2.476 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@H](C1CCCCC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1722367259 UYJNIAITSQVHKA-XZOQPEGZSA-N 484.670 2.401 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(C)n2)n1Cc1ccccc1CN1CC[C@H](O)C1 1722424866 CHQNHOMNTHAEBE-QHCPKHFHSA-N 460.582 2.349 30 10 JEEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1CCCCN1CC 1722428309 DZPXSYHJKMAQHX-JOCHJYFZSA-N 466.634 2.413 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H]2CCN(CC(F)(F)F)C2)CC1 1722445782 COWQPFORGGKPKK-INIZCTEOSA-N 463.508 2.123 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCC(C)(C)O)CC1 1722453594 YUBGZSXLONMTKX-KDURUIRLSA-N 488.633 2.176 30 10 JEEE C=CC[C@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(S(C)(=O)=O)CC1)c1ccccc1 1722595765 UNEUHBWZBVMDGI-FSSWDIPSSA-N 489.642 2.444 30 10 JEEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@](O)(c2cccc(F)c2)C1 1722598954 DFVARYXVRJIONW-HRAATJIYSA-N 451.568 2.482 30 10 JEEE C=CCCOCCn1c(N2CCOC3(CCOCC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1722626446 DURWVNXTYWBAFE-QHCPKHFHSA-N 450.580 2.297 30 10 JEEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1722683710 WVTRJWUCLIQDHV-QGZVFWFLSA-N 457.560 2.457 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CCC[C@H](NC(C)=O)C1 1722693501 QAEQEQIHKBKGOX-HNNXBMFYSA-N 491.390 2.123 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCc1nc2c(s1)CCCC2 1723932740 CCUBBDFSGTZMLX-XOBRGWDASA-N 481.623 2.298 30 10 JEEE Cc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@H](C)C#N)c(O[C@@H]2CCOC2)c1 1724356001 IDPQQHHMTMEMEB-MISYRCLQSA-N 473.599 2.301 30 10 JEEE Cc1ccc(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N(C)[C@H](C)CC#N)c(=O)n1C 1724359537 GUCRPZJSGGZZHC-MRXNPFEDSA-N 454.556 2.142 30 10 JEEE COCC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CC[C@H](C)C2)CC1 1730420365 FGKSACZMOODFTN-ICSRJNTNSA-N 452.559 2.460 30 10 JEEE C#CCCCCn1c(N2CCN(c3nc(C)cc(C)n3)CC2)nnc1[C@]1(OCC)CCOC1 1740579146 PLMWGKOQFLJVNX-DEOSSOPVSA-N 453.591 2.467 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@H](C)N1CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1740620224 CIKILNGFSXAJBV-AABGKKOBSA-N 458.632 2.031 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC1(S(C)(=O)=O)CCC1 1740629487 PGVQJEHVTSTYDZ-UHFFFAOYSA-N 453.568 2.187 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@]1(C)COCCO1 1740687900 IJDTVPSPLLXBDE-FDDCHVKYSA-N 463.579 2.242 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2OC)nnc1N1CCC(OCC(N)=O)CC1 1740756503 HWBKZNOFCBDGHH-VGSWGCGISA-N 455.559 2.406 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(OCCCOC)CC1 1740762904 XBGREWDMMUUHOJ-DYXWJJEUSA-N 482.647 2.183 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(N2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)nnc1C(C)(C)C 1740766970 LXTIPXWZSYIXEY-AZUAARDMSA-N 491.662 2.110 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N(C)Cc1cccc(F)c1 1740990264 ODXLPUYZRMKGOO-UHFFFAOYSA-N 461.519 2.382 30 10 JEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1741003385 SXHHUNGIOBFYSU-FQEVSTJZSA-N 496.747 2.094 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCc1ccccc1OC)[C@H]1CCS(=O)(=O)C1 1748822134 YSZWQRINIYZUIG-NRFANRHFSA-N 482.610 2.018 30 10 JEEE C#CCN(c1nnc(Cn2ccc3ccccc32)n1C[C@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1748822168 ZHKIKIUBFDKJGQ-AUSIDOKSSA-N 455.584 2.069 30 10 JEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1(N(C)C)CCCC1 1748841313 YHJGGVQNUARWCK-UHFFFAOYSA-N 453.616 2.185 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCN1CCCO[C@H](C)C1 1748915099 PHONDRSJWZCNAK-HXUWFJFHSA-N 488.658 2.156 30 10 JEEE C=C(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1749169307 UWGCLIBHLIOQEN-UHFFFAOYSA-N 481.648 2.048 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(c2ccc(F)c(OC)c2)CC1 1749667237 VJLUWXVNKWHPOZ-UHFFFAOYSA-N 465.533 2.425 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CCN(CC)C(=O)OC(C)(C)C)C1 1749716827 CMFNDDISZKQJTG-GOSISDBHSA-N 462.595 2.439 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1749731303 AZRBSQQRHKLMLK-QGZVFWFLSA-N 482.676 2.124 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CCc2cccnc2)c1 1760126711 HAHOLKVYCXTGOH-UHFFFAOYSA-N 457.538 2.208 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1760182830 JMRZGQKBEVAVIS-MRXNPFEDSA-N 495.005 2.145 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](CC=C)c1ccccc1 1760205664 HCRNFMCGPWIFOK-FCHUYYIVSA-N 467.595 2.044 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](CC=C)c1ccccc1 1760205667 HCRNFMCGPWIFOK-YADHBBJMSA-N 467.595 2.044 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCC(=O)N1CCCCC1 1760213213 ULIRNJGWDREIQS-UHFFFAOYSA-N 467.595 2.214 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C)s2)n1 1760251673 DEOFYBBDMHEZGG-UHFFFAOYSA-N 467.599 2.415 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2Cc2cnnn2C)CC1 1760255604 LMXHPDRXWZXHCS-UHFFFAOYSA-N 475.782 2.293 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2C[C@@H]2CN(CC(C)C)CCO2)CC1 1760267933 HAMWGBYFMOYQRU-NRFANRHFSA-N 482.604 2.407 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2cnn(CC(C)C)c2C)CC1 1760273429 UBVRSPORXVOKQS-GMAHTHKFSA-N 497.644 2.177 30 10 JEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN([C@@H](C)c2nc(C(C)C)no2)CC1 1760284771 RMBRCBSQBBUJKX-SFHVURJKSA-N 486.646 2.157 30 10 JEEE C=C(C)COCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@H](CC(N)=O)C1 1760355716 TVBOQWGPSUWXOT-MRXNPFEDSA-N 451.531 2.278 30 10 JEEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1760442279 LGAUHNKIBCUWHY-UHFFFAOYSA-N 479.614 2.476 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)cc1OC)C1CC1 1760476711 DRZBQLHARVCLAP-FQEVSTJZSA-N 461.588 2.131 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@]2(C1)OCc1ccccc12 1760514309 AVFRIVOSWNYMNT-XMMPIXPASA-N 452.559 2.135 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1760516067 IUOSEIPYDWKBBD-IAGOWNOFSA-N 470.549 2.354 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H]2CCS(=O)(=O)C2)C1 1760548080 XXCXOUROKJSKDW-YRXWBPOGSA-N 495.646 2.265 30 10 JEEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1760566673 ZTQUPBIBMDWQCP-IRXDYDNUSA-N 491.630 2.402 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@@H]1CCC[C@H](O)C1 1761236305 CLMOUXRECMENBY-YADHBBJMSA-N 465.602 2.161 30 10 JEEE N#C[C@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCc2cc(Br)ccc2F)CCO1 1771537051 GUBZWZOCHYZRIO-GOEBONIOSA-N 463.311 2.102 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)CN3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)cc21 1858634714 NTTWPSKGRKAHPU-UHFFFAOYSA-N 489.981 2.441 30 10 JEEE CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(O)c([N+](=O)[O-])c1 1862759552 URHZVXZIMNZLNV-SFHVURJKSA-N 456.411 2.349 30 10 JEEE CCC[C@@H](NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1)C(=O)N1CCC(C(N)=O)CC1 1868795024 HYSZPTBDMZVBIH-MOPGFXCFSA-N 459.616 2.034 30 10 JEEE C=CCn1cc(OCC(=O)Nc2cc(Cl)cc(Cl)c2)c(=O)cc1CN(CCO)CCO 1870702347 KZSXACQTUCXPDA-UHFFFAOYSA-N 470.353 2.145 30 10 JEEE CN(C)CCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1ccc(S(N)(=O)=O)cc1 1871253477 BOYFYMJYXNXMKC-UHFFFAOYSA-N 481.578 2.120 30 10 JEEE NC(=O)CSc1nnc([C@@H]2CC(=O)N(Cc3ccccc3)C2)n1/N=C/c1ccc(F)cc1 1874210271 OTZMOKGBERAZTG-LHSRNITLSA-N 452.515 2.393 30 10 JEEE COc1cc(/C=N/n2c(SCCCO)nnc2[C@H]2CC(=O)N(C(C)(C)C)C2)cc(OC)c1O 1874276883 DBAXJBIMSCTJKO-GIEPYWIESA-N 477.587 2.472 30 10 JEEE CCN1CCN(CC#CCOC2CCN(C(=O)CCc3c(C)cccc3[N+](=O)[O-])CC2)CC1 1891086544 JSWWFUYOWKKGAC-UHFFFAOYSA-N 456.587 2.484 30 10 JEEE C=CCCS(=O)(=O)Nc1c(I)ncnc1I 1983727337 RTGJHIMCGSUVHD-UHFFFAOYSA-N 465.054 2.004 30 10 JEEE COC[C@@H]1CC[C@@H](n2cnc(I)c2I)C[C@]1(N)C#N 2127236013 OJNDYDZSVOQGKP-SBMIAAHKSA-N 486.095 2.301 30 10 JEEE CC(C)(C)OC(=O)N[C@]1(C(=O)N2CC[C@@H]3C[C@]3(B3OC(C)(C)C(C)(C)O3)C2)CCS(=O)(=O)C1 2194122483 BBTHVNJYKONHJF-KBJGYGKASA-N 484.424 2.153 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](NS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2247901611 MYAYPPPXYOBIJM-ZDUSSCGKSA-N 458.411 2.335 30 10 JEEE CN(CCNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2247985987 PFHFEVWFYPLFMN-UHFFFAOYSA-N 460.427 2.334 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1C[C@H]2C[C@H]1[C@H]2NC(=O)OCc1ccccc1 2255697760 DEMFTRJQDGTBQD-LMNJBCLMSA-N 465.359 2.464 30 10 JEEE CC1(C)OB(c2cnc(C(=O)N3CCC(NC(=O)OCc4ccccc4)CC3)nc2)OC1(C)C 2255844464 XEEXACDRLHLXCS-UHFFFAOYSA-N 466.347 2.307 30 10 JEEE CC1(NS(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2255949820 BIRJILIKRJAELM-UHFFFAOYSA-N 472.438 2.476 30 10 JEEE Cn1nc(C(=O)N[C@@H]2CC[C@@H]2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2267197419 KTJASFGDWKZSOF-CHWSQXEVSA-N 468.791 2.406 30 10 JEEE C=C(CS(=O)(=O)N1CCO[C@@H]2CCN(Cc3ccccc3)C[C@@H]21)B1OC(C)(C)C(C)(C)O1 2267463467 APSSDCHVROXXHH-LEWJYISDSA-N 462.421 2.479 30 10 JEEE CN(CCCCN(C)C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2267494466 SCZMVWIJAGMOOS-UHFFFAOYSA-N 450.389 2.438 30 10 JEEE CC(C)(C)OC(=O)NC[C@H](CC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)C(F)(F)F 2268633639 DFZNSQHDNXUMNX-JTQLQIEISA-N 480.318 2.291 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2C[C@H](B3OC(C)(C)C(C)(C)O3)C2)[C@@H]2CS(=O)(=O)C[C@H]21 2281957146 IAFQZFULIWJURN-QBPKDAKJSA-N 484.424 2.104 30 10 JEEE C[C@@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2CN1C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2282030163 BFNYLUKNCMQBRQ-VYDXJSESSA-N 458.368 2.103 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cccc(F)c2B2OC(C)(C)C(C)(C)O2)C1 2282411168 FIFNPHMAROWDHC-WMLDXEAASA-N 464.343 2.083 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2O)[C@H](C#N)C1 2282976182 RPMQFFFMJVNGDN-MRXNPFEDSA-N 457.336 2.276 30 10 JEEE CC1(C)OB(c2ccc(O)c(C(=O)N[C@@H]3COCCN(C(=O)OCc4ccccc4)C3)c2)OC1(C)C 2282976198 SAQWUOMZNDTUSU-FQEVSTJZSA-N 496.369 2.459 30 10 JEEE C[C@H](NC(=O)[C@@]1(CO)CCCN1C(=O)OC(C)(C)C)c1nscc1B1OC(C)(C)C(C)(C)O1 2283963047 HYJFKHFYLCTOJQ-FPTDNZKUSA-N 481.424 2.382 30 10 JEEE C[C@@H](c1nscc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 2284044975 HOWQNIHPXGDJMT-RCDICMHDSA-N 481.424 2.334 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)OCC12CC2 2284132501 GPLBILQWBSZVHW-AWEZNQCLSA-N 479.408 2.227 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](C(=O)N=c3nc(B4OC(C)(C)C(C)(C)O4)[nH]s3)C[C@@H](C2)C1 2286597998 ZNKXIWJISZWGTQ-QDMKHBRRSA-N 478.424 2.481 30 10 JEEE Cc1ccc([C@@H]2C(=C(O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN2CCOCC2)o1 2297745878 DPNGPUSRVSFSSW-OAQYLSRUSA-N 454.479 2.113 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N1CC[C@@H](CO)[C@H](NC(=O)OC(C)(C)C)C1 2310243615 AQLCOEJAAWKQCG-YESZJQIVSA-N 454.568 2.308 30 10 JEEE Cc1cc(CNS(=O)(=O)CCN2C(=O)c3ccccc3C2=O)cc(B2OC(C)(C)C(C)(C)O2)c1 2320594170 KZRUPLIVCGCFJG-UHFFFAOYSA-N 484.383 2.010 30 10 JEEE CC1(C)OB(c2sncc2C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)OC1(C)C 2337402195 VMHAADFMJQISFJ-SFHVURJKSA-N 457.405 2.463 30 10 JEEE CC#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 2337801956 NKCRKSJIWPUKDH-AJYBTWMASA-N 465.591 2.227 30 10 JEEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@@]1(C(=O)N=c3nc(B4OC(C)(C)C(C)(C)O4)[nH]s3)C[C@@H]21 2359389166 LFQQKJNUXRLGRR-LWGGTIPFSA-N 476.408 2.376 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NCCCOC1CN(C(=O)OC(C)(C)C)C1 2362389827 XMRFGGQCAKDZPG-UHFFFAOYSA-N 463.384 2.080 30 10 JEEE Cn1cnc(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 2362448360 ISWPCDDGGGLXTR-JYJNAYRXSA-N 460.384 2.237 30 10 JEEE CO[C@@H](CNC(=O)OC(C)(C)C)CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(C)c1 2365425282 XBBQIOCXPMYWCZ-INIZCTEOSA-N 484.424 2.112 30 10 JEEE COC[C@@H](ONC(=O)OC(C)(C)C)C(=O)NCc1cc(C)cc(B2OC(C)(C)C(C)(C)O2)c1 2369676458 XBSQSXFVHWJXSP-GOSISDBHSA-N 464.368 2.382 30 10 JEEE CCOc1cc(C=NNS(=O)(=O)c2cc(OC)ccc2OC)ccc1OCCN1CCOCC1 20568836 OAGVGLZPJZQZAT-UHFFFAOYSA-N 493.582 2.126 30 10 JEEE C=CCn1c(=O)c2sc(N(CC)CC)nc2n(CC(=O)Nc2ccc3c(c2)OCO3)c1=O 21655794 GNFYGVCBLAONOS-UHFFFAOYSA-N 457.512 2.019 30 10 JEEE COc1ccc(/C(C)=N\Nc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])c(OC)c1 34782855 DYARJFYOAKLLQX-STZFKDTASA-N 464.500 2.469 30 10 JEEE CCCCCCCCO[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1NC(C)=O 101179127 MKWRBOCGIQFSER-OQEHDIDLSA-N 459.536 2.020 30 10 JEEE COc1ccc2nc(C=NNc3nc4c(c(=O)n(Cc5ccccc5)c(=O)n4C)n3C)ccc2c1 254624601 KQJGDFIZZXLYJW-UHFFFAOYSA-N 469.505 2.485 30 10 JEEE C#CCN(CC(F)(F)F)C(=O)c1cn2c3c(c(N4CCN(C)CC4)c(F)cc3c1=O)OC[C@H]2C 820366633 IVEXOWACMDVYRV-CQSZACIVSA-N 480.462 2.484 30 10 JEEE COC(=O)c1c(NC(=O)CSc2nnc(NN=Cc3cccc(O)c3)n2N)sc2c1CCC2 1084363552 UFMPKGSKTINRPL-UHFFFAOYSA-N 487.567 2.211 30 10 JEEE C#C[C@@H]1CCCCN1CC(=O)NCCN1C(=O)S/C(=C\c2ccc(OC)c(OC)c2)C1=O 1176832412 BNRWDDGQQQRTQY-LCJWNIEWSA-N 457.552 2.344 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCNC(=O)C(C)(C)C 1286272678 BOOPSGLNOBFRKM-HNNXBMFYSA-N 459.620 2.167 30 10 JEEE C#CCCCn1c(-c2cnccn2)nnc1N1CCN(CC(=O)Nc2ccccc2CC)CC1 1286347842 RHBGQHQCRCLGAA-UHFFFAOYSA-N 458.570 2.472 30 10 JEEE C#CCCCn1c(N2CCC[C@H](S(C)(=O)=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1286359922 NCLFUNWQSWJOQF-KSZLIROESA-N 465.620 2.476 30 10 JEEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC1([S@@](C)=O)CCC1 1286369820 WNIKRPZAFGEYPJ-JGCGQSQUSA-N 452.584 2.436 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1Cc1ccnc(C(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 1286386986 LQISUSMKXMDRRN-INIZCTEOSA-N 478.500 2.372 30 10 JEEE C#CCN(c1nnc(-c2ccccc2)n1CC1(SC)CCOCC1)[C@H]1CCS(=O)(=O)C1 1286389212 ZEXAQAGADWLVIW-IBGZPJMESA-N 460.625 2.484 30 10 JEEE C#CCN(c1nnc(CC2CCCC2)n1C[C@H]1CSCCS1)[C@H]1CCS(=O)(=O)C1 1286390893 FRIDZYRWFWMTME-ROUUACIJSA-N 454.687 2.486 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccsc2)n1C[C@]1(O)CCS(=O)(=O)C1 1286457885 GXBYPHAOKWFGBC-JOCHJYFZSA-N 474.583 2.259 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccccc1Cl 1286523517 XXBHSQMIDDRBFB-DENIHFKCSA-N 478.018 2.499 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC(C(=O)Nc2ccc(C)cn2)CC1 1286789008 MPZWHJRYODAMQG-UHFFFAOYSA-N 474.569 2.125 30 10 JEEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@H]1CN(CC(C)C)CCO1 1300317242 MWUUZWHRMZOHHB-AZGAKELHSA-N 493.700 2.458 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1Cc1ccccc1CN1CC[C@@H](O)C1)[C@H]1CCS(=O)(=O)C1 1300485788 YOQDQJMFVQJVFL-WTIAFYNJSA-N 485.654 2.033 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(Br)cc2)n1CCN/C(O)=C1/N=CC=CC1=O 1300516425 OIRSSBWLDKJKEM-VZCXRCSSSA-N 479.338 2.307 30 10 JEEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1SCCc2ccccc21 1300654436 XDOCWSZWGLTTBN-QFBILLFUSA-N 463.629 2.005 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2C[C@@H](C(C)C)N2CCOCC2)CC1 1300718607 BETHFABKPNUNJZ-QHCPKHFHSA-N 482.604 2.407 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](C)Cc2ccc(OC)cc2)CC1 1300728617 BOINLEJTNDYENE-HXUWFJFHSA-N 492.624 2.254 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCCNC(C)=O)CC1 1300731651 RMTATZPCNRSGIS-UHFFFAOYSA-N 472.977 2.003 30 10 JEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](c2ccc(OC)cc2)C1 1300733396 JUAJQLSPPGFHOC-FUHWJXTLSA-N 463.629 2.257 30 10 JEEE C=C(C)COCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@H](CNC(C)=O)C1 1300993579 CIIPZTUYGNPMKA-HXUWFJFHSA-N 451.575 2.462 30 10 JEEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1301058845 IMASPFKUUSQNTO-FPOVZHCZSA-N 481.041 2.279 30 10 JEEE C=CCCOCCn1c(-c2ccc(C)o2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1301245514 JMWXQPRALLDFCF-UHFFFAOYSA-N 484.601 2.380 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(S(C)(=O)=O)CC1 1301577636 RKEWKIVKTFHNFW-UHFFFAOYSA-N 491.010 2.352 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@H](CC(N)=O)C1 1301588396 YQEXFVNNKXLEEZ-QGZVFWFLSA-N 466.007 2.215 30 10 JEEE C#CCN1CCC[C@@H](NC(=O)CCNS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)C1 1303556163 BOEXOFDXMGXHOM-CYBMUJFWSA-N 451.898 2.241 30 10 JEEE CCN1CCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCCN(c2ccccc2C#N)CC1 1313896050 CJJZENIGQIKJIB-OAQYLSRUSA-N 464.618 2.489 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC[C@H]1COCCO1 1358885454 KINFRXFOWFRJSX-ROUUACIJSA-N 450.543 2.499 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(-c2ccsc2)nc1 1358889402 BKDRLEDYAFRGJZ-OXQOHEQNSA-N 486.623 2.241 30 10 JEEE C#CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1358912692 WOPXYXHWURBGNE-HXUWFJFHSA-N 453.591 2.356 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H](c1cccs1)N(C)C)[C@H]1CCS(=O)(=O)C1 1358960509 GGSZHUHPBLYMHZ-OALUTQOASA-N 470.624 2.331 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@H](OC)[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1358965586 XLXMKIVYFZRIFN-MNEFBYGVSA-N 465.645 2.322 30 10 JEEE C#CCN(CC#C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC1(O)CCS(=O)(=O)CC1 1358969105 HBQYHWSZHXHUQD-KRWDZBQOSA-N 476.986 2.084 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(Br)cn2C)n1CC1(CS(C)(=O)=O)CC1 1358986970 NETGBFCVPURJKS-UHFFFAOYSA-N 478.416 2.334 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCCN1c1cnn(C)c1 1359021646 WCAPTOCUTQHMEN-GOSISDBHSA-N 454.966 2.482 30 10 JEEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1CC(C)(C)c1ccc2c(c1)OCCO2 1359026594 DULJSRNXMZPNJD-UHFFFAOYSA-N 467.570 2.236 30 10 JEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1359202861 CYYPNAKBGULZJM-SJORKVTESA-N 494.584 2.040 30 10 JEEE C=CCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](NC(C)=O)C1 1359223301 GVYKGBNLCKWDLT-LJQANCHMSA-N 461.588 2.046 30 10 JEEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1359303757 ZWVPIOXXNHYALO-RDJZCZTQSA-N 453.465 2.358 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@]3(CCO[C@H]3C)C2)cc1 1359306851 SETHWSFHRFMAOE-MHECFPHRSA-N 455.559 2.414 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cc(COC(C)(C)C)on2)C1 1359321169 BKBIDNUFGARLFJ-WMZOPIPTSA-N 479.603 2.313 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@]1(O)CCS(=O)(=O)C1 1359469552 HCYCIYJDJPMHDS-KPZWWZAWSA-N 458.371 2.397 30 10 JEEE CNC(=O)[C@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1ccnc(-n2cccn2)c1 1503713465 DLRLNMNHWRVYIN-GOSISDBHSA-N 485.552 2.176 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@H](C2CC2)N(C)C)CC1 1507722894 NCZUJIBDSDADCR-OAQYLSRUSA-N 452.603 2.448 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2C[C@H]2CCCN2CC)CC1 1507740657 OPYGWIXKJPHBPS-JOCHJYFZSA-N 464.614 2.350 30 10 JEEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1507748894 SUEDNXPRDHRKJU-KRWDZBQOSA-N 450.572 2.104 30 10 JEEE C#CCSCCn1c(CCOc2ccccc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1507756753 YFCJALSVXMPQRE-OAQYLSRUSA-N 469.611 2.094 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1507803531 GGNIYKGZKIMQER-LUBSMZHTSA-N 497.596 2.489 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(F)c(OC)c2)CC1 1507845186 XXDQAPNJMBFSPN-GOSISDBHSA-N 493.605 2.247 30 10 JEEE C=C(C)COCCn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1507847010 BHHRUFRUFZFYIB-QFIPXVFZSA-N 486.592 2.332 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)c1ccccc1Cl 1508022066 WAPGIEUPCWNBIT-SIKLNZKXSA-N 496.033 2.351 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1508133436 JFQAHPAGDLGQHA-WOJBJXKFSA-N 457.600 2.356 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 1508141865 PLDYIPFPWXOHCK-FQEVSTJZSA-N 490.586 2.355 30 10 JEEE CCO[C@H]1C[C@@H](N(C)c2nnc(COc3ccc(C#N)cc3)n2CCS(C)(=O)=O)C1(C)C 1516377795 CNOVWSBYSPWWKF-MOPGFXCFSA-N 461.588 2.413 30 10 JEEE CNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(SC)CCN(C)CC2)CC1 1517607222 GMWWCOSLIYKOTD-UHFFFAOYSA-N 468.631 2.106 30 10 JEEE C#CCN(c1nnc(COCC)n1CCc1c[nH]c2ccc(F)cc12)[C@H]1CCS(=O)(=O)C1 1539230866 MONSUCKTOIGMPF-SFHVURJKSA-N 459.547 2.304 30 10 JEEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1ccc(C(C)(F)F)cc1)[C@H]1CCS(=O)(=O)C1 1539231758 XYMMOHPFHOVNGD-IBGZPJMESA-N 491.564 2.187 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCC(F)(F)F)cc1 1539415958 IWMOLNXWSROEDS-KRWDZBQOSA-N 486.516 2.256 30 10 JEEE C=CCCOCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)OC)CC1 1540037539 NSSYGTMHJLKHFJ-GOSISDBHSA-N 494.593 2.068 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 1540868247 XTWUVQZPFIXCOQ-IBGZPJMESA-N 464.505 2.182 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](C2CC2)C1 1540906065 ZSIHSASCGCLCME-OALUTQOASA-N 495.646 2.424 30 10 JEEE CC(C)Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@@H](C(C)C)N1CCOCC1 1541472321 FGSXSZDDGWXIEO-IRLDBZIGSA-N 481.649 2.210 30 10 JEEE COc1ncccc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1555125108 GGNNAAXTQGZZFC-UHFFFAOYSA-N 481.582 2.129 30 10 JEEE CS(=O)(=O)c1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC(C#N)CC2)cc1 1555792173 HIXDUYXSNUSYBG-UHFFFAOYSA-N 465.539 2.117 30 10 JEEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC3(CCN(Cc4ccccc4)CC3)C2)cc1 1556769318 BLZBNENQMLMMIJ-UHFFFAOYSA-N 452.580 2.351 30 10 JEEE C#C[C@H](NS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C)c1ccc(Br)cc1 1561601097 DDMFJNGNYVXNCJ-HNNXBMFYSA-N 457.371 2.352 30 10 JEEE C#CCCCn1c(COc2ccc(F)cc2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1587889114 VOJKHGSXQXQCJE-UHFFFAOYSA-N 496.587 2.350 30 10 JEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1Cc1cc(C)on1)[C@@H]1CCS(=O)(=O)C1 1588059184 JSXHCPRROBMBMB-LJQANCHMSA-N 459.959 2.494 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@@H]1CC(F)(F)CO1)[C@H]1CCS(=O)(=O)C1 1588069031 FUFRCCUJQHTKNI-HKUYNNGSSA-N 480.537 2.216 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CC(C)(C)N2CCC[C@@H](C)C2)CC1 1588930571 ZGPXVMWIBJAPGA-CTNGQTDRSA-N 456.635 2.258 30 10 JEEE C#CCSCCn1c(-c2cc(Br)cn2C)nnc1N(CCS(C)(=O)=O)C1CC1 1588993214 HEYFJKGVYWWDMC-UHFFFAOYSA-N 486.461 2.426 30 10 JEEE C=C(Cl)Cn1c(CC2CCCC2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1593899843 CZSQZWTWMKNQQF-UHFFFAOYSA-N 454.984 2.403 30 10 JEEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCc2nccn2C1 1594895860 PLUACYCEQIQMPX-KRWDZBQOSA-N 455.588 2.277 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1595506613 HFVANNYAPLMONS-MJGOQNOKSA-N 461.950 2.294 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@H](C(F)(F)F)C1 1595778215 XEPHJSSZVNESTC-KRWDZBQOSA-N 490.504 2.331 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC[C@H](Oc2ncccc2F)C1 1595784074 BLGZUGCPMWQYHT-KRWDZBQOSA-N 474.562 2.466 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N(C)Cc1nc(O)c2sccc2n1 1595785347 XLNDMOJQNPDXFC-UHFFFAOYSA-N 471.568 2.288 30 10 JEEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 1596092540 DHUFOKLEAYCWJU-LBPRGKRZSA-N 453.300 2.303 30 10 JEEE CCNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(N(C)C)nc2)CC1 1615957091 CFCQHNZPASDJAK-UHFFFAOYSA-N 459.558 2.178 30 10 JEEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCC[C@H](NC(=O)c3cc4ccccc4o3)C2)CC1 1616059034 FWRXRWBIBMMCMA-LEWJYISDSA-N 451.571 2.319 30 10 JEEE CN(C)C(=O)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(NC(=O)C2CC2)CC1 1617592892 DDVYVIMSSJTWRG-UHFFFAOYSA-N 479.585 2.092 30 10 JEEE CN(CCn1cccn1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCCS1(=O)=O 1618292344 HTCWQNFTDABNTI-FQEVSTJZSA-N 469.571 2.029 30 10 JEEE CNC(=O)[C@@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCCCC2)C1 1618594943 BGLMLHQYFXQDPC-QHCPKHFHSA-N 452.559 2.386 30 10 JEEE CCN(CC)C(=O)CN1CCC(NC(=O)COc2ccc(C#N)c(Br)c2)CC1 1623610490 GLHBIULFOIAJKE-UHFFFAOYSA-N 451.365 2.149 30 10 JEEE Cc1ccc([C@H](Cn2ccnc2)NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)c(C)c1 1636968119 FCOWZJGGSHQJKD-FQEVSTJZSA-N 451.552 2.486 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(N2CCOCC2)c(F)c1 1689868824 RDOKXJKMQSDECU-JLMWRMLUSA-N 457.550 2.484 30 10 JEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ncnn1C(C)(C)C 1689966598 WQRSRCBPFIGBIT-INIZCTEOSA-N 458.567 2.051 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1Cc1ccc(C[S@@](C)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1689980066 LDGBSMCABOKMRX-PZAJFPQUSA-N 462.641 2.345 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(F)c(C)c1)[C@H]1CCS(=O)(=O)C1 1689998056 AOLAOLCVPFTHEH-ZJOUEHCJSA-N 476.574 2.125 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@]2(O)CCO[C@H]2C)CC1 1690132414 PJCMTGNEXREWFI-RXFWQSSRSA-N 467.614 2.450 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H](c2cccs2)N(C)C)CC1 1690154643 VMJPAYYEKRTPRE-RBUKOAKNSA-N 456.616 2.460 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1690237882 BTNVKNBJFLHDAN-RLLQIKCJSA-N 490.586 2.353 30 10 JEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(-n3ccnc3C)nc2)CC1 1690397097 VJBFFHYTZGCUHD-INIZCTEOSA-N 470.603 2.228 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCN2CCCO[C@H](C)C2)CC1 1690411174 GRRMSRBIFWQDEJ-QUCCMNQESA-N 451.637 2.084 30 10 JEEE C=CC[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCCN(S(C)(=O)=O)CC1)c1ccccc1 1690447893 ZJNIZRIJVWZWPO-NRFANRHFSA-N 486.642 2.232 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC(S(=O)(=O)c2ccccc2)CC1 1690668156 VGWOMYQTVZUIAP-UHFFFAOYSA-N 466.567 2.085 30 10 JEEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1690672288 NUHHBICRGXRIPZ-MRXNPFEDSA-N 460.529 2.192 30 10 JEEE C=CCOc1ccc(Cn2c([C@H]3CCCO3)nnc2N2CCN(CC(=O)NCC)CC2)cc1 1690681259 LBVIMJJDOZQQIR-OAQYLSRUSA-N 454.575 2.001 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CCc1ccccn1 1692789084 COTUZEWIZAIOHX-IBGZPJMESA-N 494.625 2.114 30 10 JEEE CCC[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1)OC 1695116246 GRWKYPABATUKJF-JOCHJYFZSA-N 465.602 2.409 30 10 JEEE CCS(=O)(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCCS2(=O)=O)CC1 1696454329 DEICDHJYZWAKRU-HXUWFJFHSA-N 491.639 2.188 30 10 JEEE CN(CCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccc(C#N)cn2)CC1)CC(F)(F)F 1696799795 IEVWVLUIWSOUOJ-UHFFFAOYSA-N 488.522 2.156 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1Cc1nncn1CC)[C@@H]1CCS(=O)(=O)C1 1705563514 YWRIOCBNHXERRT-OAHLLOKOSA-N 477.953 2.024 30 10 JEEE C#CCN(c1nnc(C2CCCC2)n1Cc1ccc(C[S@](C)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1705567400 VWMHFGFZNCIBNW-UKPGIYTDSA-N 474.652 2.489 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCCN1CCCO 1705591911 LHLKXPDGMAMEPD-GOSISDBHSA-N 459.392 2.345 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCCCO2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1705627370 FHAPAMJCXDDOMQ-PZJWPPBQSA-N 454.575 2.274 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4ccccc4n3)n2CCOCCN(C)C)CC1 1705646070 PUQQDWMVWOEEQL-UHFFFAOYSA-N 475.597 2.037 30 10 JEEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1705691584 IMELZYSLGMCDAA-HNNXBMFYSA-N 453.385 2.050 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(Cc2c(CC)nn(C)c2Cl)CC1 1705902416 DMNHNCJMKDJXSX-IBGZPJMESA-N 491.040 2.093 30 10 JEEE C=CCNC(=O)Cn1c(N2CCN(c3ccccc3Cl)CC2)nnc1[C@]1(OCC)CCOC1 1705909093 MSEGOTDBRGGECA-QHCPKHFHSA-N 474.993 2.212 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC2=CCCOC2)C1 1705919349 CABWJBCMVXOEBW-FQEVSTJZSA-N 473.599 2.323 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(Cc2cnc(C)s2)CC1 1705935791 DAMRKDOASKHAMO-LJQANCHMSA-N 480.660 2.208 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CCC(=O)N2CCCCCC2)c1 1722309030 ISXXSTJEYMYTFM-NRFANRHFSA-N 491.596 2.078 30 10 JEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1722324865 AHFDRRJLUKNQAM-UHFFFAOYSA-N 496.593 2.457 30 10 JEEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 1722341700 LXXAXJKWTMIOAX-TYPHKJRUSA-N 479.647 2.246 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCOC(C)C)[C@@H]1CCS(=O)(=O)C1 1722358968 HJZRVUHIGVOGST-OAHLLOKOSA-N 470.393 2.087 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CC(C)(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1722360164 ZOKVDMOEVVSBMY-KRWDZBQOSA-N 458.588 2.234 30 10 JEEE C#CCN(CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@]1(O)CCS(=O)(=O)C1 1722404987 HXEGTZXBZIETNW-DEOSSOPVSA-N 467.595 2.362 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Cl)c3)n2CCCc2cnn(C)n2)CC1 1722443536 KWTWNWWBVRFJBB-UHFFFAOYSA-N 466.977 2.326 30 10 JEEE C=C(C)COCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@H](CNC(C)=O)C1 1722535025 WLZFQTSQICWMQN-LJQANCHMSA-N 479.585 2.137 30 10 JEEE C=CCn1c(-c2cc(F)ccc2Br)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1722683124 GNFSKPCEJQMJFX-UHFFFAOYSA-N 491.365 2.304 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1C[C@H](c2ccc(F)cc2)O[C@H](C)C1 1722728361 QNCYDMQFSPQSOP-IMFGXOCKSA-N 464.563 2.488 30 10 JEEE CC(C)CCN(CCC#N)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@]1(O)CCO[C@H]1C 1723419107 CAAGQIWWUDSVKD-BVZFJXPGSA-N 479.585 2.498 30 10 JEEE CN(C)S(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](C[C@H]2CCOC2)C1 1729342228 DIJZNXCYNSIHLF-VQTJNVASSA-N 472.615 2.351 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H](C)N1CCN(CC)CC1 1740553278 ZWTHCSHEZAWDII-PMACEKPBSA-N 476.629 2.159 30 10 JEEE C#CCCCCn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1740573283 OAJIRQOBTFYTTG-UHFFFAOYSA-N 454.550 2.386 30 10 JEEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1740589771 BKFSIOOJUOOTOC-LEWJYISDSA-N 499.616 2.410 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC1(CC)CCOCC1)[C@H]1CCS(=O)(=O)C1 1740623083 NUCORWTWMWTJNO-IBGZPJMESA-N 457.600 2.482 30 10 JEEE C#CCN(CC#C)c1nnc(COc2cccc(C)c2)n1C[C@@]1(N2CCOCC2)CCSC1 1740642302 URKHVFHUSCZZHQ-VWLOTQADSA-N 465.623 2.446 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1C[C@H]1CCN(CC(F)(F)F)C1 1740642931 ZUQDLKNAGQFMPT-SFHVURJKSA-N 455.488 2.474 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCC)n1 1740688712 HYGSSOLDVPNWCF-FQEVSTJZSA-N 487.605 2.479 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2CCc2nc3c(s2)CCCC3)CC1 1740690812 OGDFYHXNAQYHTR-SFHVURJKSA-N 458.632 2.335 30 10 JEEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1740737627 SWOMNXCVZFPEBV-OAHLLOKOSA-N 453.385 2.164 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2cn3ccccc3n2)nnc1N(C)CCCC(=O)NC 1740759450 IXTCUHHUCKUGME-FDDCHVKYSA-N 451.575 2.460 30 10 JEEE C=CC1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCS(=O)(=O)N2CCSCC2)CC1 1740836686 RKKWCVMUYWHNTP-QFIPXVFZSA-N 499.703 2.100 30 10 JEEE C=CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1740944131 VHPVGDDUQYCUFD-VGSWGCGISA-N 454.575 2.137 30 10 JEEE C=CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCCN(S(C)(=O)=O)CC1 1740946748 DUSKHHSELISLMM-KRWDZBQOSA-N 468.624 2.050 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1740954255 HAVOKFFALWKBJT-UHFFFAOYSA-N 475.475 2.014 30 10 JEEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1740962481 FIRRUZQWAIEMMH-UHFFFAOYSA-N 456.513 2.208 30 10 JEEE CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCn2cc(C)cn2)CC1 1743905414 DDRKYJQZRFVJEE-HXUWFJFHSA-N 475.601 2.059 30 10 JEEE CC[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1)OC 1744115413 AUPWMGAMTYSTFH-RDJZCZTQSA-N 496.037 2.165 30 10 JEEE CCCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1745794225 GRFZYFWRFNQHNT-UHFFFAOYSA-N 460.542 2.073 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1nccn1C(F)F 1748651026 HQCWHDJAORQMMX-AWEZNQCLSA-N 463.514 2.293 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCNC(=O)OC(C)(C)C 1748670904 DOAZYYADQAMYQL-QGZVFWFLSA-N 454.579 2.435 30 10 JEEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](Cn2cccn2)C1 1748723926 DAKLFZVDNQIISM-SFHVURJKSA-N 453.572 2.175 30 10 JEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C1CCN(Cc2ccccc2)CC1 1748732309 YDMSSZVWHHGNCK-IBGZPJMESA-N 458.632 2.403 30 10 JEEE C#CCCCn1c(Cc2cccnc2)nnc1N1CCN(CC(=O)NCc2ccccc2)CC1 1748756512 PGWNNKAQKXRVLO-UHFFFAOYSA-N 457.582 2.116 30 10 JEEE C#CCN(c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@H](CC)OC)[C@@H]1CCS(=O)(=O)C1 1748808288 JGCKEJOJGTWPKV-RTBURBONSA-N 468.583 2.387 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2CC(C)(C)NC(=O)OC(C)(C)C)CC1 1748977108 CUMYMRAVPJCUAL-SFHVURJKSA-N 464.611 2.061 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@@H](c2ccc(C)cc2)N(C)C)CC1 1749019153 MWTFLEUSTYKKPV-QFIPXVFZSA-N 452.603 2.392 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(F)c(C)c2)CC1 1749019955 GWBNKIXZVQEKLW-UNMCSNQZSA-N 469.561 2.464 30 10 JEEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(CC2CCOCC2)CC1 1749043756 KGZXRAYPHVWVGP-UHFFFAOYSA-N 488.683 2.185 30 10 JEEE COCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(c2ccccc2C#N)CC1 1749280011 CPSBXCLZXJXPGT-LJQANCHMSA-N 451.575 2.490 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1749655939 UQAIKCFWYRFKDV-LJQANCHMSA-N 465.518 2.205 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2(CCC)CCC2)C1 1749712904 NAKVZRVCDLHIJZ-MOPGFXCFSA-N 467.636 2.363 30 10 JEEE C[C@H](C#N)CN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H]1CCS(=O)(=O)C1 1750075840 IDWQBMVGLFJLHY-IAGOWNOFSA-N 480.635 2.423 30 10 JEEE N#Cc1ccc(OCc2nnc(N3CCC(CO)CC3)n2CCNC(=O)c2cccs2)cc1 1750383767 BUBXRPLEJFWPGC-UHFFFAOYSA-N 466.567 2.429 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1C[C@@H](c1cccc(F)c1)N(C)C 1751198322 HQJQTQZHXHBPGA-MPGHIAIKSA-N 451.572 2.069 30 10 JEEE Cc1cccc(OCCn2c(C(=O)NC(C)C)nnc2N2CCN(c3nccnc3C#N)C[C@H]2C)c1 1751651895 GNABPRRTUWHYBU-LJQANCHMSA-N 489.584 2.181 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CCCN2CCCO[C@H](C)C2)c1 1760125804 MAXKPROBFLEPOE-HXUWFJFHSA-N 490.612 2.236 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCC(=O)NC1CC1 1760208576 WBPGHZXVBVILNX-IZAXUBKRSA-N 454.575 2.180 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1CC1CCN(C(C)=O)CC1 1760217775 MBEUHJBHRRBEAM-UHFFFAOYSA-N 457.538 2.315 30 10 JEEE C#CCN1CCN(c2nnc(-c3nn(CCC)c(=O)c4ccccc34)n2C[C@](C)(O)C(C)C)CC1 1760260615 ZJLAHEJWSZREFU-SANMLTNESA-N 477.613 2.227 30 10 JEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccc(OC)c(F)c2)CC1 1760281223 PFPRSCHDMXBJBU-IBGZPJMESA-N 472.590 2.066 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccc(OC)c1 1760336938 LARRGPDGZXLMGR-HXUWFJFHSA-N 463.604 2.265 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCC(=O)N2)n1CC1CCS(=O)(=O)CC1 1760477987 QUYIUXPNLODFRN-HXUWFJFHSA-N 473.599 2.255 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](c2ccccc2Cl)C1 1760514514 HZHBCFCZLZZDCG-GOSISDBHSA-N 481.944 2.459 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCC[C@H](c2nc(C)no2)C1 1760528043 QGTUNMPGXSUIPW-KRWDZBQOSA-N 467.530 2.243 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(CCC)C(=O)C1 1760532636 AOKLGFWFCNLPBG-FQEVSTJZSA-N 487.626 2.242 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCN2C(=O)OC[C@H]2C1 1760548622 LYMWZJZEXJNASA-RTBURBONSA-N 489.598 2.277 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1760556002 SBZUZEFOSXWSFZ-JOCHJYFZSA-N 494.706 2.115 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCN(c3ccccc3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1760558669 WVDDQTPITPCDMS-DEOSSOPVSA-N 489.642 2.246 30 10 JEEE CCC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ncccc2C(N)=O)CC1)OC 1763856281 CIESYWJPXFDWRZ-HXUWFJFHSA-N 474.569 2.452 30 10 JEEE CNS(=O)(=O)c1cccc(Cn2c(N3CCN(c4cc(C#N)ccn4)CC3)nnc2C(C)(C)C)c1 1769363791 IFAXMPAZPVXAFV-UHFFFAOYSA-N 494.625 2.125 30 10 JEEE N#Cc1ccc(COc2cn(C[C@H](O)c3ccc(Cl)cc3)c(CN(CCO)CCO)cc2=O)cc1 1870349802 DNKMNLQFJLNKJX-VWLOTQADSA-N 497.979 2.473 30 10 JEEE C=CCn1cc(OCC(=O)Nc2ccccc2C(=O)OCC)c(=O)cc1CN1CCN(CC)CC1 1870391229 MHNIUHVBUXHOHM-UHFFFAOYSA-N 482.581 2.366 30 10 JEEE C=CCn1cc(OCC(=O)N(C)C[C@@H]2CCCO2)c(=O)cc1CN1CCN(c2ccccc2)CC1 1870548458 ZTMQUVJBASBQGT-DEOSSOPVSA-N 480.609 2.373 30 10 JEEE C#CCOc1cn(C[C@H](c2ccccc2)N2CCCC2)c(CN2CCC(C(N)=O)CC2)cc1=O 1870563966 VMGKAXDKIOXHRZ-XMMPIXPASA-N 462.594 2.395 30 10 JEEE C=CCn1cc(OCC(=O)Nc2cccc(OC)c2)c(=O)cc1CN1CCN(c2ncccn2)CC1 1870651492 AIRXICHHRDWXRY-UHFFFAOYSA-N 490.564 2.173 30 10 JEEE COc1ccc([C@@H]2[C@H](C(=O)N3CCC[C@@H](Oc4nccnc4C#N)C3)OCC(=O)N2C(C)C)cc1 1891565399 QLAVETXRNFDBFN-UEVCKROQSA-N 479.537 2.104 30 10 JEEE CCCn1c(C(=O)NCC#CCOc2cccc(N(CC)CC)c2)cc2c(=O)n(C)c(=O)n(C)c21 1891575538 QPKJXAGXSLYSQN-UHFFFAOYSA-N 479.581 2.107 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CC(C(=O)NCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)=C[C@H]1O 2188035103 YWFDLTKTLWDEHN-RTBURBONSA-N 458.364 2.186 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1CN2S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2255749287 QUJHUFMGKOZHSR-LSDHHAIUSA-N 470.422 2.430 30 10 JEEE CC1(C)OB(c2cncc(S(=O)(=O)N[C@@H]3CC[C@@H]3NC(=O)OCc3ccccc3)c2)OC1(C)C 2255753815 WFZMHOPKWWFPKQ-VQTJNVASSA-N 487.387 2.117 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2255833566 FIKKJSHSXLPIFZ-GJZGRUSLSA-N 452.382 2.147 30 10 JEEE Cc1cc(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 2255838603 IOWNWKGFVIOQII-CABCVRRESA-N 452.382 2.066 30 10 JEEE C[C@@H](c1cscc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)[C@@H](O)CNC(=O)OC(C)(C)C 2256617330 IJPXJOWKHZUQHZ-BBRMVZONSA-N 454.398 2.452 30 10 JEEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@]1(C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2256626488 KOQYQYZCJABFMX-ODXCJYRJSA-N 452.386 2.091 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NCCCN2CCN(C(=O)OC(C)(C)C)CC2)C1 2266537560 CXGZWTYIGICXKZ-UHFFFAOYSA-N 464.607 2.352 30 10 JEEE CCc1nc(C(=O)NCC2(NC(=O)OC(C)(C)C)COC2)c(B2OC(C)(C)C(C)(C)O2)s1 2267166113 NOCKZYQIYCDVJU-UHFFFAOYSA-N 467.397 2.028 30 10 JEEE CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1CNC(=O)c1csc(B2OC(C)(C)C(C)(C)O2)c1 2267293033 LMEZHHSNNKNWGF-INIZCTEOSA-N 465.425 2.328 30 10 JEEE C=C(CS(=O)(=O)NC[C@H](C)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2267471408 SPIFNOJBHLVHCG-YCRPNKLZSA-N 474.429 2.101 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCOC[C@@H](NC(=O)OC(C)(C)C)C1 2267520484 NHVIIWDXAVIUJP-AWEZNQCLSA-N 467.397 2.116 30 10 JEEE C[C@@H]1COC[C@@H](C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)N1C(=O)OC(C)(C)C 2268648365 YHPIMFVAUFZDEJ-HIFRSBDPSA-N 467.397 2.083 30 10 JEEE CC(C)(C)OC(=O)NCC12COC(C(=O)Nc3ncc(B4OC(C)(C)C(C)(C)O4)s3)(C1)C2 2268784512 DNBBCJHWDDMXEC-UHFFFAOYSA-N 465.381 2.455 30 10 JEEE CC(C)(C)OC(=O)N1CCCO[C@H](CNC(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)C1 2281804186 IFCFYCRPPNCSHC-MRXNPFEDSA-N 461.368 2.137 30 10 JEEE Cc1cc(C(=O)NC[C@@]2(O)CCCN(C(=O)OC(C)(C)C)C2)oc1B1OC(C)(C)C(C)(C)O1 2281967930 AEEQSAHIWILUKO-QHCPKHFHSA-N 464.368 2.379 30 10 JEEE CCn1cc(C(=O)NCC2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)nc1B1OC(C)(C)C(C)(C)O1 2282034971 OWKPXTMIPVVWEH-HOTGVXAUSA-N 460.384 2.045 30 10 JEEE CC(C)(C)OC(=O)N1[C@H](CNC(=O)c2occc2B2OC(C)(C)C(C)(C)O2)C[C@@H]2OCC[C@H]21 2282036317 HNSUPXKJHUWVCZ-UAGQMJEPSA-N 462.352 2.476 30 10 JEEE Cn1cc(C(=O)N=[S@](C)(=O)CCCCNC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2282041802 BPDSTBNFNOKZPW-MGBGTMOVSA-N 484.428 2.262 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CCC[C@@H](CNC(=O)C(F)(F)F)C1 2282125980 DTLMGJBUQUGCML-AWEZNQCLSA-N 457.302 2.338 30 10 JEEE COC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2282189565 KKRKGWNCFUVVTQ-MRXNPFEDSA-N 461.368 2.089 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)[C@H]2COC[C@H]12 2282190968 UBDSKYFJUVHXSB-QRVBRYPASA-N 458.364 2.350 30 10 JEEE C[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1S(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2282349390 YAROOIAAABHDJG-ZFWWWQNUSA-N 476.326 2.206 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)n1 2282553935 WKCHNPYWNVJAMD-CYBMUJFWSA-N 470.326 2.094 30 10 JEEE Cc1nn(C)c(C(=O)N2C[C@H](CNC(=O)OC(C)(C)C)[C@@H](C)C2)c1B1OC(C)(C)C(C)(C)O1 2282556484 IWBOZBCOJCSPDU-HOCLYGCPSA-N 462.400 2.261 30 10 JEEE Cc1cc(S(=O)(=O)N2CC[C@H](C)[C@H](NC(=O)C(F)(F)F)C2)sc1B1OC(C)(C)C(C)(C)O1 2282840878 KCUYZXSHFDGURX-WCQYABFASA-N 496.382 2.433 30 10 JEEE C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(O)cc1O 2282968458 UDVXPAMPMANMMR-CQSZACIVSA-N 462.352 2.478 30 10 JEEE CC1(C)OB(c2sccc2CS(=O)(=O)NCCN(CC(=O)O)Cc2ccccc2)OC1(C)C 2284412157 AHTRRVUWVMGXJO-UHFFFAOYSA-N 494.444 2.054 30 10 JEEE CC(C)(C)OC(=O)NCCCC[C@@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1)C(=O)O 2289796294 LYDYICZVSHTKJP-CYBMUJFWSA-N 483.396 2.320 30 10 JEEE Cc1c(C(O)=C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccnc2)cnn1-c1ccccc1 2297062052 IHZLDOXLZVOAPR-QHCPKHFHSA-N 473.533 2.330 30 10 JEEE COc1ccc2[nH]c(C(=O)O)c(C=Nn3cnnc3SCC(=O)NCc3ccco3)c2c1 2321876845 LYHQXLCSEYPAJC-UHFFFAOYSA-N 454.468 2.350 30 10 JEEE C=CCC1(N[C@@]2(C(=O)O)CCOC[C@@H]2NC(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)C1 2325128168 QDAVNBWCQCJJJH-NYHFZMIOSA-N 455.552 2.279 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](C1)[C@@H](NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C2 2359268201 ZAXVJPKNAAYHRZ-INMHGKMJSA-N 460.384 2.474 30 10 JEEE Cn1cc(C(=O)N[C@H]2C[C@@H]3C[C@H]2C[C@H]3NC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2359277930 HEEDOEIUMLLYBE-YHUYYLMFSA-N 460.384 2.141 30 10 JEEE C[C@H]1C[C@@H](CNC(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)CN(C(=O)OC(C)(C)C)C1 2362348119 NHFJTKJLPCKPBV-HOTGVXAUSA-N 462.400 2.342 30 10 JEEE COc1ccc(C(=O)/C=C2\N=c3ccc(C(=O)NCc4cccc(OC)c4)cc3=NC2=O)cc1 211038824 KMKIIKOXQWHCMC-UCQKPKSFSA-N 455.470 2.180 30 10 JEEE C=CCn1c(=C2SC(=S)N(C)C2=O)sc(=C2Sc3ccc(OC)cc3N2C)c1=O 254306301 DHGLFDIXQSLIOC-UHFFFAOYSA-N 463.631 2.011 30 10 JEEE COc1ccc(C(C)=NNc2nc3c(c(=O)nc(O)n3C)n2C[C@H](O)COc2ccccc2C)cc1 254764340 CGLDRJBHOSUEBV-SFHVURJKSA-N 492.536 2.429 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)[C@@H](C)[S@](=O)CC(=O)OCCOCCCC)cc21 586313511 LOCBJZCWZSNVOB-RKXCMPKHSA-N 451.541 2.278 30 10 JEEE O=C(CSc1n[nH]c(NN=Cc2ccc([N+](=O)[O-])cc2)n1)NCc1ccc2c(c1)OCO2 1084010350 FRTCQTHSSPVOLY-UHFFFAOYSA-N 455.456 2.296 30 10 JEEE COC(=O)c1ccc(C=NNc2nnc(SCC(=O)N[C@H](C)c3ccccc3)n2N)cc1 1084443182 PNXFMPSFCIVBMN-CQSZACIVSA-N 453.528 2.194 30 10 JEEE C=CCn1c(S)nc2cc(C(=O)Nc3n[nH]cc3I)ccc2c1=O 1148280948 SARRKTXWDHKXFT-UHFFFAOYSA-N 453.265 2.451 30 10 JEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCCNC(=O)c2c(F)cccc2F)cc1 1214687022 LRPDODLLXOTFPZ-UHFFFAOYSA-N 452.483 2.323 30 10 JEEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@H](CC(N)=O)C1 1286314488 DNEGFGJINLSUGH-GOSISDBHSA-N 472.615 2.091 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccc(C)cc1)N1CCCC1 1286419938 IGCHXFHXVDQHHF-GMAHTHKFSA-N 482.654 2.497 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1CCN1CCN(C)C(C)(C)C1 1286426095 JRRBPTIUTAIUKV-UHFFFAOYSA-N 472.597 2.083 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCCc1ccnc(C(C)(C)C)n1 1286460153 AHMJMTAXHIOEMW-UHFFFAOYSA-N 453.591 2.320 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)Cc2ccc(OC)c(OC)c2)CC1 1286470732 BPAVMWNTFTZEAF-HXUWFJFHSA-N 480.613 2.165 30 10 JEEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](C)Oc2ccc(Cl)cc2)CC1 1286483244 DHXSUFYCXDNHLV-SFHVURJKSA-N 456.978 2.277 30 10 JEEE C#CCSCCn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1286509015 SHYHMWGSLFEMNX-JOCHJYFZSA-N 483.638 2.266 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2CCOc2ccc(S(C)(=O)=O)cc2)C1 1286810729 VDQGJXLLFDIOMI-IEBWSBKVSA-N 462.572 2.046 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1286816139 FVCIRWDDLIKDKM-HXUWFJFHSA-N 456.572 2.340 30 10 JEEE C=C(CCC(=O)OC)C(=O)N1CCN(C(=O)c2ccccc2I)CC1 1291871618 KUPMTQWAIMDYFW-UHFFFAOYSA-N 456.280 2.085 30 10 JEEE CCCS(=O)(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cc(C)nn2C)CC1 1295017077 FXFSRHZRVXCVRE-UHFFFAOYSA-N 482.614 2.205 30 10 JEEE CCN(Cc1cnn(C)c1)c1nnc(COc2ccc(C#N)cc2)n1CC1(S(C)(=O)=O)CC1 1295667101 GTLOHJTYOGLSNT-UHFFFAOYSA-N 469.571 2.066 30 10 JEEE CN(C)C(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1297969732 CUFHLRNWJJRYFI-NRFANRHFSA-N 463.586 2.428 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OCC)CCOC3)n2Cc2cccnc2OC)c1 1300331370 JXZBFGNBIRKHDS-SANMLTNESA-N 490.564 2.438 30 10 JEEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 1300336923 QFWOPWQLKRHRNO-RTWAWAEBSA-N 471.650 2.037 30 10 JEEE C#CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCN(CCOC)C(=O)C1 1300394746 WDBXTJMXEOHHCL-UHFFFAOYSA-N 476.375 2.425 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H](C)N(C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1300488046 OGZIWDGAFLVREW-UNMCSNQZSA-N 478.622 2.487 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1CC1CCN(CC(F)(F)F)CC1 1300553688 OZHISPFMRWGIKU-OALUTQOASA-N 453.509 2.349 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@](C)(OC)C2CC2)CC1 1300715610 ATTGQJBHCBVXMW-LOSJGSFVSA-N 473.618 2.100 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3noc4c3COCC4)n2CCSCC(F)(F)F)CC1 1300722939 NVZWNPCCPYEYTF-UHFFFAOYSA-N 498.531 2.267 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1300990797 YDCBUSWKRHCOLZ-HXUWFJFHSA-N 475.615 2.194 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1)C(C)C 1301367527 PQUFMFAEEBCKPP-KSEOMHKRSA-N 466.634 2.434 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1301530997 CGHLSABFRQZNKL-PZJWPPBQSA-N 487.626 2.146 30 10 JEEE C=CCn1cc(CNC(=O)N2CCN(C(=O)COc3ccc(Cl)cc3Cl)CC2)nn1 1312898755 SOIJCMSHRVPJNP-UHFFFAOYSA-N 453.330 2.204 30 10 JEEE C#CCOc1cccc(OC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2OCC)c1 1352969570 OTYSCYRVAIRHNP-UHFFFAOYSA-N 458.536 2.253 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2C[C@@H](C)CN2CCOCC2)c1 1358901283 FYRBYVIUBNVGFY-FQEVSTJZSA-N 475.597 2.308 30 10 JEEE C#CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1358910747 ZMPHTVYFXQUQAF-QZTJIDSGSA-N 450.543 2.236 30 10 JEEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1358916103 ABANTBCWJVTNGK-FQEVSTJZSA-N 497.669 2.206 30 10 JEEE C#CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1358941063 XDXUUUZDMLQVAD-WMLDXEAASA-N 481.420 2.309 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1ccc(OC(C)C)nc1)[C@@H]1CCS(=O)(=O)C1 1358961461 ZOEIOCXROQJSDO-HXUWFJFHSA-N 466.567 2.197 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)NC1CCCCC1 1358994489 OORJWZDCHQGTIR-NRFANRHFSA-N 498.628 2.498 30 10 JEEE C#CCN1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CCCSCC)CC1 1359030688 BXACBUFMAXCGEU-UHFFFAOYSA-N 475.688 2.445 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCCOc2ccc(C)cc2)CC1 1359031170 RXRVGSYYPUJMAF-RUZDIDTESA-N 453.587 2.463 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](c2cccnc2)C(C)C)CC1 1359047282 ZIUJUMMHXBVDLE-JOCHJYFZSA-N 477.613 2.201 30 10 JEEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCN(CCOCC)[C@H](CC)C1 1359075655 BCPWUUWHEOPAQT-MRXNPFEDSA-N 457.417 2.262 30 10 JEEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1359089566 KYKISZDMUIERJR-MSOLQXFVSA-N 475.391 2.387 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(C)COCCO1 1359275148 LSXOXWJYQWMCFN-OFNKIYASSA-N 460.600 2.221 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CCC(S(C)(=O)=O)CC1 1359304607 COGKSDQNMAZAOL-UHFFFAOYSA-N 463.629 2.194 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@@]2(CCOC2)C1 1359328503 GBJAOABLHPBACV-FQEVSTJZSA-N 452.964 2.195 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCC(N(C)C(=O)OCC)CC1 1359331957 LGSHLXADSHGNST-SFHVURJKSA-N 469.608 2.178 30 10 JEEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)C(C)(C)C)C[C@]2(CCOC2)O1 1494252435 HZMVKPOGQAYWAT-XDHUDOTRSA-N 452.559 2.363 30 10 JEEE CCCN(CC)CCn1c(Cc2ccccn2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1500791380 BEGINTDAVDIAIU-HXUWFJFHSA-N 474.617 2.373 30 10 JEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2ccc(OC)c(F)c2)CC1 1507587768 ADEGRVZWKYEQKA-LJQANCHMSA-N 475.590 2.064 30 10 JEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1csc([C@H](C)OC)n1 1507606494 NZZRTHGLXGCTQR-HNNXBMFYSA-N 474.612 2.477 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1Cc1cc(C)nc(N2CCCC2)c1)[C@@H]1CCS(=O)(=O)C1 1507633831 JAJOYPTZKLVWSK-OAQYLSRUSA-N 470.643 2.455 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCc1ccnc(C(C)(C)C)n1)[C@@H]1CCS(=O)(=O)C1 1507639554 ZNCQBQYRKIKFMP-WOJBJXKFSA-N 486.642 2.477 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnn(C)c3)n2C[C@@]2(C)CCCS2)n1 1507716172 IBTFHCLUCIDHDE-JOCHJYFZSA-N 454.604 2.447 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H](C)COC)CC1 1507733946 OPFDOAWHFBLXHQ-QGZVFWFLSA-N 466.586 2.396 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H]2COc3ccccc32)CC1 1507733977 PLXHSCBXSWCOCZ-IBGZPJMESA-N 478.597 2.339 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(C)cc1 1507771475 ALXMUCMHQMIULG-NZQKXSOJSA-N 457.600 2.154 30 10 JEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](C)CNC(=O)OC(C)(C)C)CC1 1507882769 WDUYAKLGEMTJOK-HZPDHXFCSA-N 456.613 2.206 30 10 JEEE C=CCCOCCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1507966823 CTABNXTZGBXXJR-ICSRJNTNSA-N 452.563 2.489 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(NC(=O)c2ccccc2C)CC1 1508098104 WVHGTMYDRFBNET-CVDCTZTESA-N 496.612 2.012 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccc(CN(C)C)c2)C1 1508122115 CITOZMMNONBKTI-LEWJYISDSA-N 459.616 2.071 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@H](COCC)C1 1508145531 MQSOCMGEPDOUFX-PXNSSMCTSA-N 462.572 2.254 30 10 JEEE CC[C@@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCN1CCN(C)C(C)(C)C1 1513017623 HQNDAJBVODHYQS-LJQANCHMSA-N 482.681 2.058 30 10 JEEE CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2CCS(=O)(=O)CC2)C1 1515009320 FVYKQRJVKHWNGQ-OAQYLSRUSA-N 484.626 2.384 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1539002894 YINXACWSVIWPEH-JHGXHUTESA-N 456.510 2.115 30 10 JEEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CCn1cc(Br)cn1 1539030163 NZNPCNMLEZYKAP-ZDUSSCGKSA-N 462.377 2.387 30 10 JEEE C#CCN(c1nnc(C2CCC2)n1CCCCNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1539223141 ZELQJASZUOMLRA-SFHVURJKSA-N 465.620 2.477 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1conc1COC 1539232976 WJGWLJLSOSNLMA-UHFFFAOYSA-N 452.902 2.117 30 10 JEEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1539237271 BSOZZABBKPWJBZ-RLWLMLJZSA-N 478.597 2.060 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2c[nH]c3ccccc23)n1C[C@H]1CCN(S(C)(=O)=O)C1 1539315124 FATKBOGIGLVQOX-SFHVURJKSA-N 450.568 2.171 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@]2(O)CCSC2)CC1 1539468385 FNFIABLHABJRCU-XDHUDOTRSA-N 487.601 2.391 30 10 JEEE C=C(Br)Cn1c(COc2ccc(OC)cc2)nnc1N(C)CCS(C)(=O)=O 1539607482 GIKKBQYTERJBCE-UHFFFAOYSA-N 459.366 2.255 30 10 JEEE C=CCC(C)(C)Cn1c(N2C[C@@H](O)[C@H](CC(=O)OC)C2)nnc1[C@]1(OC(C)C)CCOC1 1539931821 QEFLBKYBJUMWBN-PNCHPQGNSA-N 450.580 2.281 30 10 JEEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1540907582 BNEARLBAYDXSAT-JOCHJYFZSA-N 468.587 2.330 30 10 JEEE CC(C)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CC2)CCO1 1541401573 DGTRTGJOKJNNAN-LJQANCHMSA-N 459.572 2.167 30 10 JEEE C[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1)N(C)C 1541866058 BZMCELGDGWFWIS-KOSHJBKYSA-N 464.574 2.164 30 10 JEEE C[C@@H](CNC(=O)OC(C)(C)C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1 1541885835 GLFBXDGTJJJUFN-KRWDZBQOSA-N 483.573 2.216 30 10 JEEE COC1CCN(C(C)(C)Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(CC#N)CC2)CC1 1555158949 BKDREMIEPZDIDU-LJQANCHMSA-N 478.663 2.200 30 10 JEEE N#Cc1cc(F)c(N2CCC(NS(=O)(=O)NCC(F)(F)F)CC2)cc1Br 1559170208 CMAHUCVRYMVPBF-UHFFFAOYSA-N 459.263 2.415 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCC(=O)NCc1ccccc1 1587615458 VJUQPNXZLMSEFI-GOSISDBHSA-N 479.610 2.403 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CCCC3)n2CCCn2cc(CO)nn2)c1 1587692257 AYMHKCASXHSJHX-UHFFFAOYSA-N 462.558 2.166 30 10 JEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCc2cccs2)CC1 1587765774 JVWIUSVXQFURGQ-IBGZPJMESA-N 461.657 2.410 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCCN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1588034041 ANUZXOOUUZLTOG-OAQYLSRUSA-N 471.627 2.456 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1588162457 TWURHRHUICZCIT-GMAHTHKFSA-N 492.605 2.006 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1588604162 CPUPCMJPWNDEAT-OALUTQOASA-N 493.033 2.284 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CCc2nccs2)CC1 1588763227 SYTYDUMGGWBNTE-UHFFFAOYSA-N 468.583 2.425 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H](C(CC)CC)N2CCOCC2)CC1 1588913388 JGGALFIMCOHXCF-HSZRJFAPSA-N 481.645 2.376 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2C[C@H](C)N(CC)CC)CC1 1588923789 MASFPFXNZTYBQP-SFHVURJKSA-N 490.612 2.290 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCCc2ccccc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1589556166 AOPNVMUFQSNCBN-XPNTWCBSSA-N 453.587 2.386 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCCN(C(=O)C(C)C)CC1 1589568573 KZHLZHCJBHRPIE-DENIHFKCSA-N 458.607 2.076 30 10 JEEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1CCN(c2nccc(OCC)n2)CC1 1593729402 KQMRUXYKKFCYNX-UHFFFAOYSA-N 452.563 2.392 30 10 JEEE C=CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1594733541 UXARMHNSVGMODP-KSZLIROESA-N 460.579 2.268 30 10 JEEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1594733866 ZFCJHZKGLOAHAV-BBWFWOEESA-N 453.609 2.496 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1C[C@H](c2ccccc2)O[C@H](C)C1 1595784480 GRYIXUIIZOSAJI-YLJYHZDGSA-N 456.572 2.246 30 10 JEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1OC 1623737183 BYNOKZCPENWAOP-MRXNPFEDSA-N 451.545 2.381 30 10 JEEE N#Cc1ccc(N2CCN(C(=O)[C@H](Cc3cnc[nH]3)NC(=O)C3CCCCC3)CC2)c(F)c1 1627606391 CRXBVFSMVGDIOT-NRFANRHFSA-N 452.534 2.377 30 10 JEEE C#CCNC(=O)CN1CCCN(c2ccc3nnc(-c4cc(Cl)cc(Cl)c4)n3n2)CC1 1642226461 CUKGDAJWRRTXSS-UHFFFAOYSA-N 458.353 2.360 30 10 JEEE C=CCn1nc(C)c(-c2cc(C(=O)NCc3ccc(CS(=O)(=O)N(C)C)cc3)n[nH]2)c1C 1645038764 NZJCZZLAYCTCFG-UHFFFAOYSA-N 456.572 2.397 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1689982271 KHBIFZAEHPNHGK-FQEVSTJZSA-N 473.555 2.297 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1Cc1cccnc1OCC)[C@H]1CCS(=O)(=O)C1 1689996699 MLKHXYSOWXLQMP-IBGZPJMESA-N 499.568 2.465 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1nnc(CC)s1 1690037165 OKZOCOOIUOPSRF-UHFFFAOYSA-N 454.581 2.274 30 10 JEEE C#CCSCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)COC)CC1 1690183015 KEEXIOAEIVAXOU-UHFFFAOYSA-N 457.600 2.135 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC(=O)Nc1ccccc1 1690265375 NKVIBFHUGXUNKL-LJQANCHMSA-N 476.603 2.042 30 10 JEEE C=CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1690482851 BOFVRFRUWODYLB-LJQANCHMSA-N 459.620 2.432 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1c2ccccc2C[C@@H]1C 1690622568 SFIMAJRXTTYULO-ICSRJNTNSA-N 459.616 2.270 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CC[C@](C)(N2CCOCC2)C1 1690676169 RQJWUOICHOLULK-VWLOTQADSA-N 468.602 2.023 30 10 JEEE COc1ccncc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(S(C)(=O)=O)CC1 1697631643 AYCXBLSCXHHGOE-UHFFFAOYSA-N 452.540 2.282 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCN1CCC[C@H](C)C1 1705482255 VYAGRPZTQOUVQT-RBUKOAKNSA-N 458.632 2.385 30 10 JEEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1705522452 GAOWAKVQYKAXBD-IKGGRYGDSA-N 457.497 2.310 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1CCCn1cccn1)[C@@H]1CCS(=O)(=O)C1 1705560434 GVHKADVVVDNFKL-GOSISDBHSA-N 490.536 2.460 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1CCN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1705560817 KTWWPHJVFTZRCF-FQEVSTJZSA-N 487.626 2.075 30 10 JEEE C#CCN(c1nnc(COc2ccccc2CC)n1CC1(C(N)=O)CCCC1)[C@H]1CCS(=O)(=O)C1 1705568073 GRTZPQPQVOZGHB-FQEVSTJZSA-N 499.637 2.092 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(C)cc(C)cc1C 1705599281 XCAUSGNLNBURTL-QFIPXVFZSA-N 469.611 2.047 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCSc2ccccc2)CC1 1705651505 ZCGXQJCVGNCIDY-UHFFFAOYSA-N 466.611 2.159 30 10 JEEE C#CCSCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1705656978 OXADZOXLPVNURZ-SFHVURJKSA-N 470.599 2.275 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccs2)CC1 1705698862 ZIWKIBWEBNBPLE-LNLFQRSKSA-N 480.660 2.258 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(C(=O)NC)CC1 1705705310 GGXGXJUZSMVWJN-XLIONFOSSA-N 472.615 2.213 30 10 JEEE C=C(C)CN(CC)c1nnc(COc2ccc(C#N)cc2)n1CCN1CCN(C(C)=O)CC1 1705719981 RVZMRIBUPDHGRS-UHFFFAOYSA-N 451.575 2.295 30 10 JEEE C=CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1705835428 KKJGUFSMXDENLZ-DXIQSLLYSA-N 467.636 2.145 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC(Cn2cccn2)CC1 1705898679 TVVWHMLYTJBDRT-UHFFFAOYSA-N 465.558 2.378 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc[nH]3)n2Cc2ccccc2S(=O)(=O)N(C)C)C1 1705919262 ZZPHFZYULRURES-SFHVURJKSA-N 456.572 2.353 30 10 JEEE CC[C@H](C)[C@@](C)(O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1708347597 GRDRHIOXICRUDH-WVCKHHOPSA-N 469.565 2.364 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)(C)C)n2Cc2ccc(C(N)=O)nc2)c1 1722306544 CEKITXQIPHHDFA-UHFFFAOYSA-N 459.554 2.465 30 10 JEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 1722316842 NEKCRHVGEZOYQQ-SFHVURJKSA-N 473.599 2.284 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CCc1ccc(-n2cccn2)cc1 1722371008 QIAQWDZKZLYENJ-UHFFFAOYSA-N 450.506 2.427 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(Cl)c1C 1722395709 AXKGFBROQOKORJ-FQEVSTJZSA-N 476.002 2.084 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2cccc(N(C)C)c2)CC1 1722430614 GWWQRXZWBWIRPU-RUZDIDTESA-N 452.603 2.188 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCC(=O)N[C@H](C)CC)CC1 1722441778 UOBYXFYALRJHHE-AQNXPRMDSA-N 487.649 2.109 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2CCCN2CCCO[C@@H](C)C2)CC1 1722441960 OUZYLXCRZRPCKB-QHCPKHFHSA-N 466.630 2.422 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2C[C@H](c2cccc(OC)c2)N(C)C)CC1 1722446410 VLEWIKCSUVMSQX-JOCHJYFZSA-N 450.587 2.433 30 10 JEEE C#CCSCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC(=O)N(C)[C@H](C)C1 1722460085 VGRFPKUGEQLINO-QZTJIDSGSA-N 476.647 2.426 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CCS(=O)(=O)CC1 1722503071 KUAKLSCKFVVJJR-SIKLNZKXSA-N 460.600 2.288 30 10 JEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2ccc(F)c(F)c2)C1 1722618953 XNUPWNABEAHRBQ-WOJBJXKFSA-N 497.568 2.433 30 10 JEEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2cccc(F)c2[C@@H]1C 1722630166 WVGUYGZTPKSWDA-PXNSSMCTSA-N 493.605 2.467 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)N1CCOCC1 1722672746 YBKRVDKNVLQNQI-WOJBJXKFSA-N 476.622 2.486 30 10 JEEE C[C@H](C#N)CN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCc1ccccn1 1722862365 ICEJNVGHKPAHAH-QGZVFWFLSA-N 453.572 2.429 30 10 JEEE CC(C)N(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1723523147 DGIYUDAMYOBAHO-UHFFFAOYSA-N 459.620 2.017 30 10 JEEE CCO[C@]1(c2nnc(N(C)Cc3cccc(C#N)c3)n2C[C@H](C)N2CCOCC2)CCOC1 1728764870 GEMZAZNLUABSLM-YADARESESA-N 454.575 2.159 30 10 JEEE CCOC1CC(CCn2c(-c3cccc(C#N)c3)nnc2N2CCN(CC(=O)N(C)C)CC2)C1 1728913471 GXPRHFNCTBKQIC-UHFFFAOYSA-N 465.602 2.232 30 10 JEEE CN(C)CCOc1ccccc1Cn1c(CN2CCCC2=O)nnc1N1CCC(C#N)CC1 1729337862 FVAWXMNEHGSGPG-UHFFFAOYSA-N 451.575 2.129 30 10 JEEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 1740576698 DHORZAKXQDVSTJ-UHFFFAOYSA-N 452.534 2.192 30 10 JEEE C#CCN(c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCC=C(C)C)[C@H]1CCS(=O)(=O)C1 1740622702 HAWIWFVRJSOGHD-SFHVURJKSA-N 480.594 2.175 30 10 JEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@](C)(O)[C@H](C)CC 1740631571 CEVCYBMZBYMZBF-UZUQRXQVSA-N 456.616 2.417 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CCCN1CCCO[C@H](C)C1 1740684585 VQOQOZCPLBTMFI-LJQANCHMSA-N 479.585 2.181 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCc2nc(C)c(C)s2)CC1 1740693444 YLTDDFLOUGQYEC-QHCPKHFHSA-N 458.632 2.390 30 10 JEEE C#CCN1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC2(C)COC2)CC1 1740695898 HBFAAMAQGILVOS-UHFFFAOYSA-N 458.607 2.184 30 10 JEEE C=C(C)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCN(CC(=O)NCCOC)CC1 1740780572 AKSDDTTUNGEETL-UHFFFAOYSA-N 495.397 2.307 30 10 JEEE C=CCCOCCn1c(-c2ccc(C)o2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1740883987 LQUDVUOOAIFSMV-RXVVDRJESA-N 456.591 2.428 30 10 JEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(=Cc2cccc(OC)c2)CC1 1740947244 VROVRGGTVREKQS-OAQYLSRUSA-N 473.599 2.489 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1740956959 WVIQCVWJZOFPHD-MRXNPFEDSA-N 481.022 2.009 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1740961967 OAVBSBXWYGGNKP-QGZVFWFLSA-N 453.522 2.461 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1740991575 ZSOSNRLWWKVYIQ-GOSISDBHSA-N 486.660 2.058 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](c2ccccc2)[C@@H]1C 1740992860 UWJUBQLDXUVCOV-SXLOBPIMSA-N 478.640 2.163 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCC[C@H]1c1cnn(C)c1 1740994610 PZZTXBRISWWWHQ-SFHVURJKSA-N 461.617 2.310 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2Cc3c(OC)ccc(OC)c3[C@@H](O)C2)nnc1C(C)(C)C 1740994971 ZFLQHWNMQSSXFW-INIZCTEOSA-N 464.588 2.247 30 10 JEEE C=CCSCCn1c(Cc2cccnc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1741003906 IODSTLRRETYQHZ-UHFFFAOYSA-N 450.634 2.043 30 10 JEEE CCN(C)C(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@@](C)(C#N)C1 1745878205 FIHMEVZPZPUNOG-QFIPXVFZSA-N 457.966 2.470 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2C[C@H]2CCCS2)c1 1748694696 LIVFLCIHBXGMMA-LJQANCHMSA-N 452.584 2.352 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCS(=O)(=O)CC 1748891079 ZIRBYEUCFYVBSE-LJQANCHMSA-N 477.631 2.290 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[C@@H](C)c2ccc(OC)cc2)CC1 1748990225 WDSCPQFRHFJPBT-TZIWHRDSSA-N 471.627 2.138 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCC2(O)CCC2)CC1 1748991437 WTNQKMBRXPMFHN-HXUWFJFHSA-N 472.634 2.453 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1749020099 LFBVQQDFASPXQZ-GOSISDBHSA-N 466.571 2.086 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CCOC)Cc1ccco1 1749131943 WJLKQVJTVGNGMH-HBFSDRIKSA-N 464.588 2.407 30 10 JEEE C=C(C)COCCn1c(COc2ccccc2F)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1749238717 BHWSLIXAIDMEAH-NRFANRHFSA-N 486.548 2.356 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN(C)C(=O)OC(C)(C)C)CC1 1749342898 RKGGEIFXIJACKB-QGZVFWFLSA-N 453.609 2.450 30 10 JEEE C=CCCOCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(C(=O)OC)CC1 1749454544 ILBWXVUWIGFNLZ-UHFFFAOYSA-N 481.557 2.156 30 10 JEEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCSC2(CCOCC2)C1 1749676851 GERMZXAZNXJQAK-UHFFFAOYSA-N 471.627 2.477 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1[C@H]1C[C@H](c2ccc(F)cc2)C1 1750075750 HMLCJNYYQNCLTO-QOJCHSLYSA-N 476.578 2.465 30 10 JEEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(C)cc1F)[C@H]1CCS(=O)(=O)C1 1760180514 GPSATKPQWCNKJC-WMZHIEFXSA-N 476.574 2.053 30 10 JEEE C#CCN(c1nnc([C@@H](C)OCCOC)n1Cc1ccc(F)c(C)c1)[C@H]1CCS(=O)(=O)C1 1760181220 RCMYDDROOKKEMO-MJGOQNOKSA-N 464.563 2.125 30 10 JEEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1760285290 BBHUQOBVVDOHSQ-LJQANCHMSA-N 450.568 2.296 30 10 JEEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](OCCOC)C1 1760346439 ZRUBEDWBTINEMQ-ZWKOTPCHSA-N 451.568 2.404 30 10 JEEE C=CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccnn2)CC1)c1ccccc1 1760417913 KJAWAWKLXJGEOW-PZJWPPBQSA-N 496.641 2.365 30 10 JEEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC2(CCCCC2)C1 1760450999 XPRJSLDBXLECQJ-IBGZPJMESA-N 467.636 2.364 30 10 JEEE C=CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1760509533 NGXPUEMFJQENKX-CQSZACIVSA-N 475.475 2.366 30 10 JEEE C=CCn1c(Cc2ccc(F)cc2)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 1760511558 UJIJYPBTGGOYPY-UHFFFAOYSA-N 451.568 2.071 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(N(C)C(=O)OCC)CC1 1760522246 OULJZLOYMNMWIU-FQEVSTJZSA-N 484.557 2.150 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1760527544 ADKREVKRUHZHLQ-RHSMWYFYSA-N 469.464 2.324 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CCN(c2ncc(F)cn2)CC1 1760527658 DUKULGOEZRQPGU-UHFFFAOYSA-N 482.589 2.437 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccn3)n2C[C@@H](N2CCOCC2)C(F)(F)F)C1 1760546884 YGXZAJCMRAPWAR-RTBURBONSA-N 466.508 2.308 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1760556840 RKCSBTYIZPHHPF-RTBURBONSA-N 461.632 2.397 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CCc1ccc2c[nH]nc2c1 1761480544 IAELJFWTLRGSMD-OAHLLOKOSA-N 456.576 2.137 30 10 JEEE COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)CC1 1769135378 AHTXAFITIVPYNP-SFHVURJKSA-N 497.600 2.367 30 10 JEEE COCCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1CC1(c2ccccc2)CCOCC1 1771111316 HAOZVJJQSZIVGU-FQEVSTJZSA-N 452.559 2.344 30 10 JEEE CC(C)C[C@@H](C(=O)N[C@H]1CCN(S(=O)(=O)c2ccccc2C#N)C1)N1C(=O)c2ccccc2C1=O 1858334195 DPJWQYTUCYUCLB-RXVVDRJESA-N 494.573 2.148 30 10 JEEE CC(C)(C)c1nnc(N2CCN(CC(=O)[C@H](C#N)c3nc4ccccc4s3)CC2)nc1O 1859428372 XBVRXHWFLJWMJQ-AWEZNQCLSA-N 451.556 2.483 30 10 JEEE O=C(C1=C(O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccccc1C(=O)O)c1ccc2c(c1)OCCO2 1862608475 OZGBVYOCTUUCEF-QFIPXVFZSA-N 494.500 2.067 30 10 JEEE COc1ccc(NC(=O)[C@H](CO)NC(=O)C2CCN([C@H](C#N)c3cccs3)CC2)c(OC)c1 1866869362 ZZWJFIQXYYYYBO-RBUKOAKNSA-N 472.567 2.158 30 10 JEEE Cc1ccc(Cn2nnc(C#N)c2NC(=O)CCCN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc1 1870111080 XFGDFQJURROJDF-UHFFFAOYSA-N 473.449 2.430 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NC)cn1C[C@H](c1ccc(O)cc1)N(C)C 1870571102 HQEBFRCYWCYBIW-JOCHJYFZSA-N 454.571 2.156 30 10 JEEE C=CCn1cc(OCC(=O)N(CC)CC)c(=O)cc1CN1CCN(Cc2ccc3c(c2)OCO3)CC1 1870630349 PDVSIPBDAMWVQJ-UHFFFAOYSA-N 496.608 2.328 30 10 JEEE COC(=O)CSc1nnc([C@H]2CC(=O)N(Cc3ccccc3)C2)n1/N=C/c1ccc(O)cc1O 1874211575 SHKYCWVYOXYBAA-PKOLSWDWSA-N 481.534 2.353 30 10 JEEE CC(C)N1C[C@H](c2nnc(SCCO)n2/N=C/c2cc(Br)ccc2O)CC1=O 1874341842 TYBWATXTJAQFON-PCQWDSEFSA-N 468.377 2.437 30 10 JEEE COC(=O)c1ccc(/C=N/n2c(CNC(C)=O)nnc2SCC(=O)NC2CCCCC2)cc1 1874434087 MPXGEAGFOJPXIB-WYMPLXKRSA-N 472.571 2.124 30 10 JEEE COc1cc(Cn2cccc(C(=O)N3CCC[C@@H](Oc4nccnc4C#N)C3)c2=O)cc(OC)c1 1891636348 BSMXGVDHZPYFCM-GOSISDBHSA-N 475.505 2.259 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCN(CC(=O)NCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2185152009 SKKHKCPDJVSWAN-IBGZPJMESA-N 459.396 2.201 30 10 JEEE C[C@@H](CNS(=O)(=O)Cc1ccccc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2255795287 UNVGPIWMWRJJKI-HNNXBMFYSA-N 454.398 2.318 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](NC(=O)c2csc(B3OC(C)(C)C(C)(C)O3)c2)C1 2255845079 GPWNOBXYSHHICO-GJZGRUSLSA-N 452.382 2.147 30 10 JEEE C[C@H](O)CN(CCNC(=O)OC(C)(C)C)C(=O)c1csc(B2OC(C)(C)C(C)(C)O2)c1 2257643959 ZHXOOEJWYFOCRA-AWEZNQCLSA-N 454.398 2.395 30 10 JEEE CCO[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)[C@H]1NC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2266989789 JHAFHXHRFBUYTQ-IIAWOOMASA-N 467.397 2.243 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@](CO)(NC(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267014775 DLGBMXVMORQYCD-QFIPXVFZSA-N 450.341 2.071 30 10 JEEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2F)CC1 2267362186 OCKWKNKOPVFJQS-UHFFFAOYSA-N 470.372 2.366 30 10 JEEE C[C@@H]1C[C@@H](NC(=O)C(F)(F)F)CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2267410095 DYLQTTVWMPODLS-VXGBXAGGSA-N 482.355 2.125 30 10 JEEE COC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1occc1B1OC(C)(C)C(C)(C)O1 2267485063 FEBNSRUAGBQZDO-HNNXBMFYSA-N 450.341 2.287 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CC(N)=O)C(=O)Nc1ccc(Cl)cc1B1OC(C)(C)C(C)(C)O1 2268633400 RXTLAQVFKUAQIR-OAHLLOKOSA-N 467.759 2.346 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2268651021 MWPRLNRWPICLTQ-MELADBBJSA-N 464.397 2.233 30 10 JEEE C=C(CS(=O)(=O)NC1(C(=O)O)CCN(Cc2ccccc2)CC1)B1OC(C)(C)C(C)(C)O1 2269029139 GUGWTSATJFQTPV-UHFFFAOYSA-N 464.393 2.213 30 10 JEEE CCOC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)C#CB1OC(C)(C)C(C)(C)O1 2281936456 NMNIWFICRKHNRS-DLBZAZTESA-N 464.368 2.316 30 10 JEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C(C)(C)C2)n1 2281955065 GHEJEHDDXRAXMD-CQSZACIVSA-N 463.388 2.022 30 10 JEEE C[C@H]1C[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)CCN(C(=O)OC(C)(C)C)C1 2281979020 AYHRITDNFYGPEU-JKSUJKDBSA-N 462.400 2.485 30 10 JEEE Cc1nn(C)c(C(=O)N[C@@H]2C[C@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)c1B1OC(C)(C)C(C)(C)O1 2281984524 CWCBGRZBLPRIRW-ARFHVFGLSA-N 460.384 2.155 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(C(=O)OC(C)(C)C)[C@@H]2CC[C@H]21 2282001174 XRVALXYOKOHORM-HZPDHXFCSA-N 460.384 2.252 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1)CCO2 2282028108 ZJJNAFLZTVKLIV-QFIPXVFZSA-N 479.408 2.294 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)CC12CC2 2282053350 UOCPRFDYVRUQOM-HNNXBMFYSA-N 460.384 2.381 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2O)c1 2282108388 XPAPZQWETIAOTL-RBUKOAKNSA-N 460.380 2.394 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](CNC(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CO1 2282172039 RGSXNQZEYWTEPW-CRAIPNDOSA-N 461.368 2.040 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@H]1C[C@H]2NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2282176275 RLOYDVZDZQAZNT-YALNPMBYSA-N 458.368 2.197 30 10 JEEE CC(C)(C)OC(=O)NC1(CNC(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CCOCC1 2282184481 TVQAKQOZXQGXDS-UHFFFAOYSA-N 461.368 2.185 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2C[C@@H](CN(Cc3ccccc3)C2)C1 2282537980 YYDVEGWCCVKZIH-PMACEKPBSA-N 450.392 2.313 30 10 JEEE CN(C[C@H]1CCCN(C(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)C1)C(=O)OC(C)(C)C 2282552412 QIAXLYYEQDEPPS-MRXNPFEDSA-N 462.400 2.438 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](CC(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)[C@@H](O)C1 2283944651 PXDFKVUMGNBAOE-BBRMVZONSA-N 465.331 2.076 30 10 JEEE Cc1nc(NC(=O)[C@@]2(NC(=O)OC(C)(C)C)CCCOC2)ncc1B1OC(C)(C)C(C)(C)O1 2283947119 WNKGPNLDYWUZPI-JOCHJYFZSA-N 462.356 2.097 30 10 JEEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)[C@H](F)C1(O)CN(C(=O)OC(C)(C)C)C1 2284068431 DKBXUUFXAORDJY-INIZCTEOSA-N 484.399 2.326 30 10 JEEE CC(C)(C)OC(=O)N[C@]1(C(=O)NCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2F)CCOC1 2285185601 DEKAPAMKJIOTBM-HSZRJFAPSA-N 464.343 2.425 30 10 JEEE CC(C)(C)OC(=O)N(CC(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1)C[C@H]1CCCO1 2288087646 GWNYQOQFGXBCOH-OAHLLOKOSA-N 481.424 2.475 30 10 JEEE COc1ccc(C(O)=C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccccn2)cc1OC 2296565669 DNZMJSFXBMPFPO-QFIPXVFZSA-N 467.522 2.243 30 10 JEEE C=CC1(NC2(C(=O)O)CC(COC)(NC(=O)OC(C)(C)C)C2)CN(C(=O)OC(C)(C)C)C1 2325472004 BQSALQFXBBWXIC-UHFFFAOYSA-N 455.552 2.279 30 10 JEEE CCCNC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)(C)C)C2)n1N=Cc1ccc(O)cc1O 2327841432 HGXXHITYWHPZPF-HNNXBMFYSA-N 474.587 2.304 30 10 JEEE CCOc1ccc(Cc2nnc(SCC(N)=O)n2N=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 2328565360 DONLSMZWKVYKNB-UHFFFAOYSA-N 498.521 2.407 30 10 JEEE COc1ccc(CCc2nnc(SCC(N)=O)n2N=Cc2ccc(O)c([N+](=O)[O-])c2)cc1 2328574130 QAIOUOGEHHMDFE-UHFFFAOYSA-N 456.484 2.145 30 10 JEEE CCCNC(=O)CSc1nnc(CNC(C)=O)n1N=Cc1ccc(Br)cc1 2330742704 ZKBAQRSTRWUYKW-UHFFFAOYSA-N 453.366 2.177 30 10 JEEE COC1(CCNC(=O)OC(C)(C)C)CN(C(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C1 2337337536 HLIGGJXQPXLCPM-UHFFFAOYSA-N 467.397 2.198 30 10 JEEE CC(C)(C)OC(=O)N1CC2(CC[C@@H](NC(=O)c3ncsc3B3OC(C)(C)C(C)(C)O3)CO2)C1 2362297165 CISUBBOKZLQFLZ-CQSZACIVSA-N 479.408 2.341 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 2362461703 QHTFSGHTIJIIFU-XUVXKRRUSA-N 450.392 2.360 30 10 JEEE CC(=O)Nc1cccc(NC(=O)CCSc2nnc(N/N=C/c3cnn(C(C)C)c3)n2N)c1 20921254 SJMMEADLFHSCFZ-LSHDLFTRSA-N 470.563 2.295 30 10 JEEE C/C(=N\Nc1nc(SCCC(=O)Nc2ccc(S(N)(=O)=O)cc2)n[nH]1)c1ccccc1O 59830742 UHXNUXADHJEWNO-FSJBWODESA-N 475.556 2.115 30 10 JEEE Cc1nn(CCO)c(C)c1/C=N/Nc1nc(SCC(=O)Nc2ccc(F)cc2F)n[nH]1 59887587 OLUZRUQNOHFJHA-ODCIPOBUSA-N 450.475 2.065 30 10 JEEE COc1cccc([C@H]2/C(=C(/O)c3ccc(OC)c(OC)c3)C(=O)C(=O)N2CCN2CCOCC2)c1 102502918 LULGIUARFHNSQP-FEYWKWKCSA-N 482.533 2.466 30 10 JEEE CCOc1ccc(C=NNc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2)cc1OC 254751393 CSZIDCITLYWGOI-UHFFFAOYSA-N 462.510 2.335 30 10 JEEE N#CC(C(=O)N1CCCC1)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccc(F)c(Cl)c1 729669896 VJUWIYZNQPZLRQ-UHFFFAOYSA-N 493.951 2.465 30 10 JEEE CC(C)Cn1c(=C(C#N)C(=O)Nc2ccc(F)cc2)sc(=Cc2cnn3ccccc23)c1=O 729671330 GGBVJJJBCSCXPY-UHFFFAOYSA-N 461.522 2.494 30 10 JEEE C=CCS(=O)(=O)CCNC(=O)c1cc(S(=O)(=O)Nc2ccc(OC)cc2)ccc1C 1137752433 USVXCNBJXFANEC-UHFFFAOYSA-N 452.554 2.135 30 10 JEEE C#CCCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCO[C@H](CNC(C)=O)C1 1286322954 FJWVGQBERAGAJR-HXUWFJFHSA-N 491.596 2.381 30 10 JEEE C#CCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCCN(S(C)(=O)=O)CC1 1286337212 CAJWWPPZUIBCLA-UHFFFAOYSA-N 453.572 2.220 30 10 JEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(c2ccc(OC)cc2)CC1 1286349279 HAOCEDIRSVBRKP-LJQANCHMSA-N 457.600 2.319 30 10 JEEE C#CCN(c1nnc(C(C)C)n1CCN(C(=O)OC(C)(C)C)C1CC1)[C@@H]1CCS(=O)(=O)C1 1286384339 HYWLYXLSFAUBRY-GOSISDBHSA-N 465.620 2.428 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(Br)c2)n1CCS(=O)(=O)CC=C 1286402979 FSSTXKOFTUJODY-UHFFFAOYSA-N 477.384 2.390 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCCN1CCC[C@@H]1CO 1286448331 SAPMZJVFBOOUNK-RTWAWAEBSA-N 490.649 2.283 30 10 JEEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1CC[C@H](N1CCOCC1)C(F)(F)F 1286452033 HNFKMWKPRSIVTO-BZSNNMDCSA-N 459.513 2.115 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@](C)(O)c2cc(C)oc2C)CC1 1286469781 LEAPRPJRGPBKPS-DEOSSOPVSA-N 456.591 2.069 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@H]2CCN(CC(F)(F)F)C2)CC1 1286493744 PQYSOZFMUYYUOF-IEBWSBKVSA-N 482.551 2.370 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N(C)CC(=O)N1CCOCC1 1286567957 TZJLREMWKKJFAD-JPYJTQIMSA-N 473.549 2.272 30 10 JEEE C=CCCOCCn1c(Cc2ccc(F)cc2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1286713094 UMQDKAHAHWKAHH-DEOSSOPVSA-N 470.549 2.415 30 10 JEEE C=CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCN(S(C)(=O)=O)C1)C1CC1 1286733689 IDCCWJVUIYCWFH-ZDUSSCGKSA-N 469.409 2.472 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1([S@](C)=O)CC1 1286774054 YAVSNECUGJTLNW-GTOJURISSA-N 483.635 2.136 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCCN(C(C)=O)CC1 1286781298 WRHFMZSMQLOXEP-IBGZPJMESA-N 454.575 2.396 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)c2ccsc2)CC1 1286782906 CMACKSJVKUTYGG-UHFFFAOYSA-N 471.974 2.320 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC(O)(Cc2ccccc2F)CC1 1286788941 KNLWCIRMPIXFDE-UHFFFAOYSA-N 464.545 2.279 30 10 JEEE COC(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCCO[C@H](C)C2)C1 1299367253 BHZNHACDXOSVNL-WIYYLYMNSA-N 452.559 2.317 30 10 JEEE COC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(CC(=O)N(C)C)CC2)CCCCC1 1299818667 DTDXGTRWFIMLAW-UHFFFAOYSA-N 495.628 2.288 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(NC(=O)[C@H]2CCCO2)c1 1300269128 ZURRYZNAVZLVOA-FXAWDEMLSA-N 450.543 2.138 30 10 JEEE C#CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1CCCN(C)S(=O)(=O)CC 1300439717 GVYGJLQRKXLLLF-UHFFFAOYSA-N 484.420 2.457 30 10 JEEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@H](C(C)C)N1CCOCC1 1300455664 OCSDUSAJELUWHB-QFIPXVFZSA-N 477.613 2.491 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1Cc1cnccc1OC)[C@H]1CCS(=O)(=O)C1 1300489552 OUGICTHGEGHENM-IBGZPJMESA-N 451.552 2.332 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CCCCN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1300489717 QZIMTQJHDAVRLD-OAQYLSRUSA-N 492.045 2.338 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H](C)Cc1cccs1)[C@H]1CCS(=O)(=O)C1 1300493077 QLBJKBNYGMYFRS-IRXDYDNUSA-N 456.597 2.302 30 10 JEEE C#CCN(c1nnc(CC2CCCC2)n1CCn1cc(Br)cn1)[C@@H]1CCS(=O)(=O)C1 1300502709 WFAKMLBGLLCXMX-GOSISDBHSA-N 495.447 2.297 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CC12CCOCC2 1300538423 PTXDGACSGDOOQZ-UXHICEINSA-N 469.586 2.476 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccc(Br)cc2)n1Cc1nncn1CC 1300549120 YEERBTGGRIXMEF-UHFFFAOYSA-N 454.332 2.352 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2CC2CN(C(=O)OC(C)(C)C)C2)CC1 1300703989 XWXYQBRZDDNLSL-UHFFFAOYSA-N 480.613 2.500 30 10 JEEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(N2CCCC2=O)CC1 1300743339 NHOSEZCJVNHKEI-UHFFFAOYSA-N 487.651 2.306 30 10 JEEE C#CCSCCn1c(COc2ccc(C)c(C)c2)nnc1N(C)CC(=O)N1CCOCC1 1300769371 FLFCEFFHGHQSQR-UHFFFAOYSA-N 457.600 2.135 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1CC(C)(C)N1CCOCC1 1300813132 BIENAGMMOOTSHC-HSZRJFAPSA-N 456.616 2.373 30 10 JEEE C=C(C)COCCn1c(-c2cnccn2)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 1300984263 ZSXLLIPGVSSXDA-MRXNPFEDSA-N 457.560 2.173 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCN(CC)CCC(F)(F)F)CC1 1301086737 OGMZKJFLCHOHLG-QGZVFWFLSA-N 494.584 2.042 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1301492353 GFNICYVEGIQSKO-SFHVURJKSA-N 491.614 2.057 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCC(NC(=O)c2ccc(F)cc2)CC1 1301497207 RRYOPBAIKRSSON-UHFFFAOYSA-N 477.544 2.489 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CCN(C(=O)OCC)CC1 1301593362 NDQFSBKEKFVMMA-UHFFFAOYSA-N 477.587 2.045 30 10 JEEE C#CCn1ccc(CN(CCOC)C(=O)NCc2ccc(CN3C[C@H](C)O[C@H](C)C3)cc2)n1 1311496626 OCPPAUMEVBEIBL-OYRHEFFESA-N 453.587 2.484 30 10 JEEE COCCC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1315961139 CXRASYVCOCAEOW-LJQANCHMSA-N 467.574 2.347 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@]1(N2CCOCC2)CCSC1 1358877525 GHSWUIWQPHYDGF-WZONZLPQSA-N 489.667 2.014 30 10 JEEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1Cc1nncn1CC)[C@H]1CCS(=O)(=O)C1 1358956112 ANBOBRGZMLAEIL-VQTJNVASSA-N 467.599 2.106 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H](CC)Oc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1358963657 LWQKGHVTHKRFBR-YZGWKJHDSA-N 476.574 2.405 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCCN2CCCO[C@H](C)C2)CC1 1359028457 STDGBHCSYNZKTC-HSZRJFAPSA-N 493.656 2.403 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCOCCN(C)C)CC1 1359042378 DFIMAQJWVGKQJJ-UHFFFAOYSA-N 458.994 2.143 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@](C)(O)CC)CC1 1359042507 JFTZHCCNDFMVCA-XMMPIXPASA-N 455.559 2.089 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](c2ccccc2OC)C1 1359122046 UUPDFNNUSMVDFI-XLIONFOSSA-N 461.588 2.190 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1359133454 RZQQFYLLMGILRE-QHCPKHFHSA-N 498.653 2.357 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[C@H]2CCO[C@@H](C)C2)CC1 1359179470 WDWTYVXDYSNXOU-IHPCNDPISA-N 467.636 2.219 30 10 JEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCCC[C@H]1CNC(=O)c1ccccc1 1465597758 ATRFXDGLYHSAPP-XLIONFOSSA-N 454.552 2.036 30 10 JEEE C=CCNC(=O)CNC(=O)COc1c(I)cc(Cl)c2cccnc12 1466426493 YIWQUKCAELXKBW-UHFFFAOYSA-N 459.671 2.290 30 10 JEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 1507591708 NCIJXZVJUMTQKW-QGZVFWFLSA-N 465.620 2.429 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1C[C@H]1OCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1507627350 SCWGLSQLWISIPO-QGPMSJSTSA-N 496.431 2.098 30 10 JEEE C#CCN(c1nnc([C@@H](CC)c2ccccc2)n1CCN1CCSCC1)[C@H]1CCS(=O)(=O)C1 1507628155 VFAZXRPHWRZVNR-VXKWHMMOSA-N 487.695 2.496 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CC(=O)Nc1c(C)cccc1C)[C@@H]1CCS(=O)(=O)C1 1507633395 SEBLWDKOHJMMIP-VQTJNVASSA-N 485.610 2.054 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1CC1(C(=O)N(C)C)CCCC1)[C@@H]1CCS(=O)(=O)C1 1507634779 MOHWZDAJCKIQPP-LJQANCHMSA-N 489.667 2.206 30 10 JEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C)=C(Br)C1 1507746021 JDNBJGHZRNGEOK-ZDUSSCGKSA-N 462.439 2.134 30 10 JEEE C=C(Br)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1507790528 LWOMLWLPZHLOFF-RDJZCZTQSA-N 457.332 2.352 30 10 JEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C(C)C 1508059133 LVRQIVLMQSDJHF-SFHVURJKSA-N 464.548 2.120 30 10 JEEE C=CCNC(=O)Cn1c(N(C)Cc2nccs2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1508098059 NIIXIDNBHNGNIA-GASCZTMLSA-N 461.592 2.444 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1508126365 HQYNBVXMTMHSTC-PXNSSMCTSA-N 462.572 2.082 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCC(C)(c2nc(C)no2)CC1 1508143985 LXEPNWPSCWQKBJ-UHFFFAOYSA-N 471.587 2.114 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(C(=O)N(C)C)CCCC1 1508415224 CJFDRNTWFBVXTO-KRWDZBQOSA-N 462.562 2.165 30 10 JEEE CC(C)(C)NC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CC(N)=O)CC1 1508622081 BKXUVJMCCLRKGA-UHFFFAOYSA-N 467.574 2.125 30 10 JEEE CC[C@H](C)[C@@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(C#N)c1)OC 1512753658 BRCWUTQIQLNPDX-WMQCIHAUSA-N 490.630 2.180 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OCC)CCOC3)n2Cc2cnn(CC)c2)c1 1539040570 XJPJMSMQEFLJLU-RUZDIDTESA-N 477.569 2.251 30 10 JEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 1539053392 QVODAQPYISTHLA-KDOFPFPSSA-N 465.542 2.222 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(C)CN(C2CC2)C1=O 1539326238 SQIIUEDCRJURRN-FQRUVTKNSA-N 496.612 2.060 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2cccc(CN(C)C)c2)CC1 1539428950 YKMSMMORZQRGFN-UHFFFAOYSA-N 451.619 2.062 30 10 JEEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC([C@@H]2CCCO2)CC1 1539573923 GAFYSEGBOZAPTC-ZFWWWQNUSA-N 462.414 2.192 30 10 JEEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1539613044 SWSOWPUXKMTEDO-RTBURBONSA-N 483.455 2.269 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2ccccc2CC1 1539616606 ROJHDUIECAGEQV-YYWHXJBOSA-N 459.616 2.475 30 10 JEEE C=C(C)COCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCCN(C(=O)C(C)C)CC1 1539736366 WMTRHWLDDPCVBM-UHFFFAOYSA-N 479.589 2.208 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c(C(C)C)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1)C(C)C 1540146496 CCVXBHVBZINDII-JOCHJYFZSA-N 485.677 2.371 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 1540869972 BLLGRGYENCADMK-LPHOPBHVSA-N 471.537 2.014 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1540903036 XFCZGQJQXFYXIV-FQEVSTJZSA-N 491.614 2.293 30 10 JEEE C[C@H](C#N)CN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCCN1CCOC1=O 1541103695 FDQKZMWJRSCVPS-OAHLLOKOSA-N 459.938 2.300 30 10 JEEE CC(C)C(=O)NCCn1c(-c2ccccc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1541284383 BHIRVMFWKZKTLF-GOSISDBHSA-N 459.558 2.094 30 10 JEEE C#CCN1CCC[C@H](NC(=O)C2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)C1 1558329168 LNHPPJHAGMKQES-KRWDZBQOSA-N 457.518 2.320 30 10 JEEE C#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3cccc4cc(C)cnc34)CC2)cc1 1561120745 CYLRIRDLRNBWMJ-UHFFFAOYSA-N 455.561 2.220 30 10 JEEE C#CCn1ccc(CN(CC)C(=O)NCCOc2ccc(S(=O)(=O)C(F)(F)F)cc2)n1 1564373630 AURAZYNTFIJMIB-UHFFFAOYSA-N 458.462 2.420 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2CC(O)(CC)CC)c1 1587696978 FWIKEVAWYPJMIV-UHFFFAOYSA-N 452.559 2.008 30 10 JEEE C#CCCCn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1587856860 SYNMSSMMJBKFMA-BDTNDASRSA-N 456.635 2.212 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCN(CC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1588059309 LPDKSXOFEBCLGY-OAQYLSRUSA-N 461.607 2.365 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(C)c(Br)c2)n1CCC(=O)N1CCOCC1 1588604094 CAHDXSDOXFTURV-UHFFFAOYSA-N 490.402 2.351 30 10 JEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 1589060589 UKRGNTWSFPHIOJ-IAGOWNOFSA-N 462.620 2.337 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C)nnc1N1C[C@@H](C(=O)OC)[C@H](CNC(=O)OC(C)(C)C)C1 1589494490 LZPLBVAVWMHXKI-NCXUSEDFSA-N 463.579 2.318 30 10 JEEE C=C(C)COCCn1c(Cc2ccsc2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1593757966 RUMXQGJCDFLYGX-FQEVSTJZSA-N 495.671 2.154 30 10 JEEE C=CC1CCN(c2nnc(C(=O)N3CCCC3)n2CC[C@@H](C(F)F)N2CCOCC2)CC1 1594169421 XNOFWVAKSSBTJW-SFHVURJKSA-N 452.550 2.273 30 10 JEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCN2CCc3ccccc3C2)CC1 1594193082 NYMLZIQPBZOQLT-GOSISDBHSA-N 458.632 2.349 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H](C(=O)NCCCC)C1 1595489085 CMGCIGFOGAFTQU-OAHLLOKOSA-N 492.422 2.471 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC(O)(Cc2cccc(C)c2)CC1 1595544810 MDCUDVWISZOHOD-NRFANRHFSA-N 453.587 2.357 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1595798464 POHABJBYGZUSFF-HNNXBMFYSA-N 464.510 2.121 30 10 JEEE C=CCOCCCNC(=O)c1cc(Br)cn(CCNC(=O)OC(C)(C)C)c1=O 1629502207 MJBBPEOXXJRLRZ-UHFFFAOYSA-N 458.353 2.458 30 10 JEEE C=CCCn1cc(CN2CC[C@@H]3[C@@H](C2)NC(=O)N3C2CCN(C(=O)OC(C)(C)C)CC2)nn1 1665001248 ZXUJGRSTXQAJDW-WOJBJXKFSA-N 459.595 2.222 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(N2CCOCC2)nc1 1689830598 BEDNLOFXEQWXRU-YADARESESA-N 454.575 2.057 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1689863024 LMPQWRVCHAVIQT-HXOBKFHXSA-N 460.600 2.162 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC(F)F)c(F)c1 1690046584 DNYZFPOXXHXIOI-INIZCTEOSA-N 466.485 2.432 30 10 JEEE C#CCN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H](C)CN1CCOCC1 1690087033 HTHMDUAHXBAOQF-AQNXPRMDSA-N 460.623 2.477 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCC1(O)CCOCC1 1690092826 XTNTYPPLYLKNPC-UHFFFAOYSA-N 455.559 2.165 30 10 JEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@](C)(O)c2cc(C)oc2C)CC1 1690132186 KEDCAGSGYIGHJW-DEOSSOPVSA-N 451.575 2.012 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CC2CCN(CC(F)(F)F)CC2)CC1 1690146859 ZIEMSVMXMAQWSV-LJQANCHMSA-N 482.551 2.022 30 10 JEEE C#CCSCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1690165849 LICRUTZIPYSKLQ-HSZRJFAPSA-N 455.584 2.435 30 10 JEEE C=CCNC(=O)Cn1c(N2CC[C@@H](C(=O)N(C)c3ccccc3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1690676951 JGTITMZXZDFLRM-FQRUVTKNSA-N 496.612 2.110 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1690726852 NQZZNRJRADQVQA-OAQYLSRUSA-N 492.715 2.136 30 10 JEEE CC[C@@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CC1(COC)CCOCC1 1694115177 BSWZHROYVIXXIC-GOSISDBHSA-N 470.622 2.475 30 10 JEEE COc1cc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H]2CCCS(=O)(=O)C2)cc(OC)c1OC 1697252273 HMIDMMNEZHJLIH-QRQCRPRQSA-N 493.561 2.238 30 10 JEEE C#CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H](C)N1CCN(CC)CC1 1705552694 NSZVLCLMOQNQGP-HXUWFJFHSA-N 473.666 2.488 30 10 JEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCC1CC(OC(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1705558599 CIALJIRPJPTFMH-IOJLRTSASA-N 491.658 2.125 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCN(CC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1705562248 ZHLZGDFZIPJCFY-HXUWFJFHSA-N 457.600 2.065 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1705564196 AXKOHNNGPNSZEO-RTWAWAEBSA-N 472.611 2.440 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1Cc1sc(C)nc1C)[C@@H]1CCS(=O)(=O)C1 1705570860 UOTZGVNZMIIYCF-QGZVFWFLSA-N 476.653 2.382 30 10 JEEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1CCCN1CCCO[C@@H](C)C1 1705601719 SXSJHUNSKBPDNV-FQEVSTJZSA-N 468.627 2.233 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](c2ccc(F)cc2)N(C)C)CC1 1705632220 JGUVSAMNBZTFOB-NRFANRHFSA-N 476.560 2.123 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1705633377 PTRYVLXUZVSRGZ-JRGCBEDISA-N 459.978 2.367 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2Cc2cnn(CCOC)c2)CC1 1705640595 XYQSKEQHQUMUPC-UHFFFAOYSA-N 453.978 2.169 30 10 JEEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1705693146 CANRFXIUKRZMMA-ZNMIVQPWSA-N 469.340 2.180 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nncn1CC 1705857094 PKNFTVBLMGJSBS-SFHVURJKSA-N 471.587 2.041 30 10 JEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(c2ncccc2C#N)CC1 1705891101 YZOZGCRXWBARBT-IBGZPJMESA-N 480.573 2.366 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@@](C)(c2ccccc2)C1 1705895085 TUCJDLGKMZTUAU-XMMPIXPASA-N 454.575 2.251 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1705932378 DGSJPPMMUKFRBE-DLBZAZTESA-N 454.618 2.112 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCC[C@@H](n3cc(C)cn3)C2)nnc1[C@]1(OC(C)C)CCOC1 1705939434 XGDQOWIDDOELMO-OFNKIYASSA-N 492.646 2.266 30 10 JEEE C=CCSCCn1c([C@@H]2CCCCO2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1705945979 WOKUQGGNYNERHK-GIVPXCGWSA-N 462.664 2.428 30 10 JEEE CC(C)(C)S(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(c2ccccc2C#N)CC1 1706185882 DGKULCKAPAHRGL-LJQANCHMSA-N 499.641 2.031 30 10 JEEE O=C(Cn1c(-c2ccccc2F)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1)NCC(F)(F)F 1712904337 FTOOXBGDDFORFJ-NSHDSACASA-N 496.387 2.268 30 10 JEEE C#CCN(c1nnc(C)n1CCC[C@H]1CCCN1C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1722367004 UIVCALAZCCDPOU-RBUKOAKNSA-N 465.620 2.393 30 10 JEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCn1nc(C)cc1C 1722382375 HIYNWALYDAKIHO-UHFFFAOYSA-N 457.586 2.429 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@](O)(c1ccccc1)C(F)(F)F 1722418932 IJJFDFDSTPWAOK-QFIPXVFZSA-N 488.470 2.462 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccccc2F)n1C[C@H](N1CCOCC1)C(F)(F)F 1722424718 XPAFYZCUDYMXPR-SFHVURJKSA-N 455.456 2.433 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@](C)(O)CCOC)CC1 1722443687 ZFWCRJAMTJZTDK-HSZRJFAPSA-N 477.968 2.491 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(CC)s1 1722672294 NOSWEASFRAXVKT-GOSISDBHSA-N 451.618 2.462 30 10 JEEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 1722683030 ZTEIBJOZSYMLAZ-CZUORRHYSA-N 457.503 2.254 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(c2cnn(C)c2)CC1 1722688328 BRZCYGKXKQIUGA-QGZVFWFLSA-N 484.992 2.434 30 10 JEEE C=CCOc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CCN(C(=O)C(C)C)CC2)cc1 1722704497 IUTSDVACSYDMMX-UHFFFAOYSA-N 466.586 2.318 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCN2CCCO[C@@H](C)C2)C1 1722719925 CHLMWUDDEJOLAJ-VXKWHMMOSA-N 457.623 2.422 30 10 JEEE CC(C)CN1CCO[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@H](CC(N)=O)C2)C1 1723475019 DLKYLCKMGMBOMO-FYYLOGMGSA-N 495.628 2.177 30 10 JEEE COC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCN(C(C)=O)C2)C1 1729749460 CWOOYOOZYOIVFO-FPOVZHCZSA-N 450.543 2.465 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2C[C@@H]2CC(F)(F)CO2)c1 1740562603 LPTLONSJXVIWMH-KRWDZBQOSA-N 453.453 2.216 30 10 JEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl 1740575295 RPFJMHQENIPVGN-FCEWJHQRSA-N 490.457 2.435 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1740618720 KFIOKZWYYOPBIN-FQEVSTJZSA-N 468.583 2.176 30 10 JEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1740641640 MBHXRPUFOAMKCW-QFIPXVFZSA-N 488.617 2.243 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)N[C@@H](C)c1ccccc1 1740671771 OCBOIPQPLVBIBT-PZJWPPBQSA-N 488.658 2.200 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCO[C@H]2CCCC[C@@H]2C)CC1 1740703840 BUSYIZYKUJXMFV-RXVVDRJESA-N 451.575 2.296 30 10 JEEE C=CCCOCCn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1740886647 NMCFGQIYGGQYKL-IBGZPJMESA-N 460.604 2.054 30 10 JEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(SC)c(OC)c1 1740946765 GBNZQVLCEOZGOF-QGZVFWFLSA-N 467.617 2.164 30 10 JEEE CN(C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCCN(S(C)(=O)=O)CC1)C1CCCCC1 1747518405 BCGRPBROCRDCJD-UHFFFAOYSA-N 499.641 2.080 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(SC)cc1 1748670852 CWRQKLJSLJTHFS-VQIMIIECSA-N 463.629 2.034 30 10 JEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(c2nc(CC)ns2)CC1 1748717782 IMCSZMHGSQMEJF-QGZVFWFLSA-N 477.660 2.114 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1CCc1nnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1748808144 ADZKHNDDVLCSPA-QGZVFWFLSA-N 456.597 2.283 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCCN(C)CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1748815873 UREJKUXPNOJNFQ-QGZVFWFLSA-N 484.548 2.159 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCc1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 1748824994 VDQVXULWEAKXMK-BDTNDASRSA-N 472.611 2.180 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCc2cc(OC)ccc21 1748962112 AFRLVXMLRJOYHK-PMACEKPBSA-N 472.611 2.395 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](C)N2CCC[C@H](C)C2)CC1 1749015785 NGBWVLYCKXFABY-SIKLNZKXSA-N 480.661 2.226 30 10 JEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2cccc(Cl)c2)C1 1749023895 ZFLCHGRCXGXJJI-QAPCUYQASA-N 484.047 2.486 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCN(c2cnn(C)c2)CC1 1749118771 JLIMCVCRLOPJKP-ZJOUEHCJSA-N 459.595 2.043 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(S(C)(=O)=O)CC1 1749121575 NSLVJJKHOZAUFQ-WMLDXEAASA-N 499.435 2.099 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)N1CCC(C)CC1 1749158340 HJUJPCWINBXVOR-VQTJNVASSA-N 468.668 2.134 30 10 JEEE C=C(Cl)Cn1c(N2CCN([C@H](C(N)=O)c3ccccc3)CC2)nnc1[C@@]1(OCC)CCOC1 1749283982 FUCMCTJBFZMTHO-WMZHIEFXSA-N 474.993 2.031 30 10 JEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1749756294 WCJFTAWLEHVQNR-QGZVFWFLSA-N 467.661 2.081 30 10 JEEE CS(=O)(=O)NC[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC=CO2)C1 1750214186 HTSIBMNYZVKJRP-TZIWHRDSSA-N 486.598 2.187 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCNC(=O)[C@H](C)CCC 1760113289 SFVSZLBDDLITEH-MOPGFXCFSA-N 452.607 2.462 30 10 JEEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1CC1(C)CCCC1)[C@H]1CCS(=O)(=O)C1 1760191416 GZQLKOWYISAGRQ-KRWDZBQOSA-N 475.640 2.477 30 10 JEEE C#CCN(c1nnc(CCCc2ccccc2)n1C[C@@](C)(O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1760191787 NEPPSMOPLDSVJJ-ZJSXRUAMSA-N 456.612 2.241 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCn1ccnn1 1760248752 DIBIEKFXKQMNBY-LJQANCHMSA-N 472.594 2.160 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccccc2OC(F)F)CC1 1760264831 GNCJFOSSLCPHDX-UHFFFAOYSA-N 486.523 2.130 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)cn2C)n1CC1(C(N)=O)CCOCC1 1760290469 GVDAOIXBJGELPB-HXUWFJFHSA-N 475.391 2.320 30 10 JEEE C=C(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1760347523 HUHIOLQCTLXZBQ-HXUWFJFHSA-N 454.623 2.285 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(OC)cc2F)CC1 1760401752 BKXPHRZQYGIKCG-FQEVSTJZSA-N 479.578 2.209 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1760518186 LNPMYSRLFSQRGN-GOSISDBHSA-N 470.965 2.014 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC(C)(C)OC[C@@H]1C 1760557339 IJZAGHSLWWVBOU-KRWDZBQOSA-N 459.572 2.333 30 10 JEEE CCO[C@]1(c2nnc(N3CCN(c4ccccc4C#N)CC3)n2C[C@H](C)N(C)C)CCOC1 1765911865 DXMIRCBWBVQYCU-YADARESESA-N 453.591 2.079 30 10 JEEE CO[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ccc(C#N)cn2)CC1)C(C)C 1768069738 GQYONNQHPZQHQW-LJQANCHMSA-N 475.557 2.190 30 10 JEEE COCC1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1770806522 BGVKTOYOVYMFDQ-IBGZPJMESA-N 472.615 2.351 30 10 JEEE COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCOc2ncccc2F)CCO1 1770960241 GAZPJJDHVVQXDL-LJQANCHMSA-N 468.489 2.193 30 10 JEEE O=C(Cn1c(Cc2ccccc2F)nnc1N1CCN(CC(F)(F)F)CC1)NCC(F)(F)F 1771556991 DAVCQIPGNRYUIJ-UHFFFAOYSA-N 482.404 2.371 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)CN3CCN(S(=O)(=O)c4ccc(CC)cc4)CC3)cc21 1858631787 WZDJCTAGKMEBEI-UHFFFAOYSA-N 483.590 2.350 30 10 JEEE COc1ccc(CCN2C[C@H](C(=O)Nc3c(C#N)nnn3-c3ccc(C)cc3)CC2=O)cc1OC 1870148762 BYYVULGXPDSAJG-GOSISDBHSA-N 474.521 2.494 30 10 JEEE N#Cc1cnccc1-n1nc(C2CNC2)c(I)c1I 2070635364 QRTWUAFKFYGLSB-UHFFFAOYSA-N 477.047 2.035 30 10 JEEE CC(C)(C)OC(=O)N1CC(n2cc(C(=O)N3C[C@@H]4C(B5OC(C)(C)C(C)(C)O5)[C@H]4C3)nn2)C1 2180986537 DGANLNDHRSRGRP-GJZGRUSLSA-N 459.356 2.234 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1COC[C@H]1NC(=O)c1ccsc1B1OC(C)(C)C(C)(C)O1 2255797266 DGZJPQWYMKVLKA-DZGCQCFKSA-N 452.382 2.317 30 10 JEEE C[C@@H](NC(=O)c1csc(B2OC(C)(C)C(C)(C)O2)c1)C1(O)CN(C(=O)OC(C)(C)C)C1 2255845914 FNPSTILUGLGMII-CYBMUJFWSA-N 452.382 2.147 30 10 JEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H]1COCC[C@@H]1NC(=O)OC(C)(C)C 2266999271 LZIHTEBUISPWRL-HOTGVXAUSA-N 450.341 2.299 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1CCN1S(=O)(=O)c1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2267467300 MYRJXIKPRQANRV-AWEZNQCLSA-N 470.372 2.413 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H]1NS(=O)(=O)Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2267473528 HGEUEHHFXCCVBQ-ROUUACIJSA-N 466.409 2.461 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](NC(=O)c2occc2B2OC(C)(C)C(C)(C)O2)CCO1 2267490690 RUYSXNGJCOZKSW-HUUCEWRRSA-N 450.341 2.381 30 10 JEEE CS[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2267598010 YQYRVIULENDFRO-SJORKVTESA-N 463.409 2.462 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@@H](F)C1CN(C(=O)OC(C)(C)C)C1 2267598367 YYNBPINOEJYKCL-MRXNPFEDSA-N 451.348 2.259 30 10 JEEE C[C@H]1[C@H](NC(=O)C(F)(F)F)CCCN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2267713822 RQQXVPRVVOGMFQ-NWDGAFQWSA-N 482.355 2.267 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CC(C(=O)NCc2cc(B3OC(C)(C)C(C)(C)O3)cs2)=C[C@@H]1O 2268719117 YPLQYIIFUAABQZ-IRXDYDNUSA-N 464.393 2.248 30 10 JEEE C[C@H](OCc1ccccc1)[C@@H](NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2269039738 VZISKPHRSYIUGZ-KBXCAEBGSA-N 481.401 2.384 30 10 JEEE Cn1cc(C(=O)N2C[C@H]3C[C@@H](CN(C(=O)OC(C)(C)C)C3)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2281966435 JFAHHDKDBJNCFV-HZPDHXFCSA-N 460.384 2.048 30 10 JEEE C[C@H]1CN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)CC[C@H]1NC(=O)C(F)(F)F 2282052078 YHBMQWYECNEMBK-SMDDNHRTSA-N 459.249 2.049 30 10 JEEE CC(C)(C)OC(=O)N1CC(N(C(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)[C@@H]2CCOC2)C1 2282055133 ZZNMBBUSZRNINK-OAHLLOKOSA-N 462.352 2.429 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CCN(C(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)CC[C@H]2C1 2282062965 GCKSVJWGMZXQKZ-HOTGVXAUSA-N 460.384 2.428 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@]12CCN(S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1)C2 2282504400 OHFQBYGTTWRQPR-OAQYLSRUSA-N 499.464 2.357 30 10 JEEE CC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2282574449 OZYNOTKAKROSQW-NVXWUHKLSA-N 462.400 2.485 30 10 JEEE CC(C)(C)OC(=O)NC[C@H](CO)C(=O)N1CCCc2cccc(B3OC(C)(C)C(C)(C)O3)c21 2284049334 SPIXDRPFYRLSLW-QGZVFWFLSA-N 460.380 2.398 30 10 JEEE CCOc1cc(C=Nn2c(C)nnc2SCC(=O)OC)ccc1OCC(=O)N(CC)CC 2321168367 YITPRJVYGSUPRS-UHFFFAOYSA-N 463.560 2.380 30 10 JEEE C=CC1(N[C@@]2(C(=O)O)[C@@H](NC(=O)OC(C)(C)C)COC2(C)C)CN(C(=O)OC(C)(C)C)C1 2326241772 OGADVBUFSZPFLP-RCDICMHDSA-N 455.552 2.277 30 10 JEEE COCCc1nnc(SCC(=O)NCc2ccccc2)n1N=Cc1ccc(O)c(OC)c1 2331311020 FMQVYPKUSDJVHN-UHFFFAOYSA-N 455.540 2.472 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H]2CC[C@H]1N2C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2359279691 WGKUJDIRVDNPIV-HYVNUMGLSA-N 458.368 2.294 30 10 JEEE CCN(C(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)nc(C)n2C)C1 2362483874 VLGQRMFUCPXLSS-MRXNPFEDSA-N 462.400 2.499 30 10 JEEE CC1(C)OB(c2sncc2C(=O)N2C[C@@H](CNC(=O)C(F)(F)F)C3(CCC3)C2)OC1(C)C 2362572053 WFSZDJANOGNXJB-GFCCVEGCSA-N 473.326 2.363 30 10 JEEE CC(C)(C)OC(=O)NC[C@H](Oc1cc(B2OC(C)(C)C(C)(C)O2)cc(C(F)(F)F)n1)C(N)=O 2365135520 RUFBZTKXMOPKQW-LBPRGKRZSA-N 475.273 2.157 30 10 JEEE CCCSc1nnc(NC(=O)CSc2nnc(N/N=C/c3cnn(C(C)C)c3)n2N)s1 20920855 HWSHGYUVJSIDIG-NGYBGAFCSA-N 481.637 2.300 30 10 JEEE COc1ccc(/C(C)=N/Nc2nnc(SCC(=O)Nc3ccc4c(c3)OCCO4)n2N)cc1 21328244 AJYQMZGAEKKAPE-ZMOGYAJESA-N 469.527 2.339 30 10 JEEE C=CCN1C(=O)N[C@@H](c2ccc(OC)cc2)C(C(=O)OCC)=C1CN1CCN(C(=O)C2CC2)CC1 36026066 HNYUNSUJRLGREG-QHCPKHFHSA-N 482.581 2.319 30 10 JEEE COc1ccccc1[C@@H]1c2c(nc(NCc3ccc4c(c3)OCCO4)[nH]c2=O)NC(=O)[C@H]1C#N 72472416 SSKYCVIDFXHJDR-KXBFYZLASA-N 459.462 2.386 30 10 JEEE Cc1cccc(OC[C@@H](O)Cn2c(N/N=C/c3ccccc3Cl)nc3c2c(=O)n(C)c(=O)n3C)c1 107290923 PAEVUVGRKKXLPC-FLKNIFQJSA-N 496.955 2.281 30 10 JEEE C#Cc1cccc(N/C(S)=C(/C(O)=c2cc3c(cc2F)=NC(=O)CC3)[n+]2cccc(CO)c2)c1 726572927 KOIVSPXRBNSCCJ-UHFFFAOYSA-O 474.537 2.214 30 10 JEEE C#CCN(C(=O)CCN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 729331289 LMOIPMAUNBOIAG-OAQYLSRUSA-N 474.604 2.229 30 10 JEEE CC(C)CC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccc2c(c1)OCCO2 729669365 MPILDYRXHCFZTJ-UHFFFAOYSA-N 486.553 2.436 30 10 JEEE COCCn1cc(C=NNc2nc(SCCC(=O)Nc3cc(OC)cc(OC)c3)n[nH]2)cn1 1083905360 GQLLTODCNCCJEJ-UHFFFAOYSA-N 474.547 2.232 30 10 JEEE CCn1cc(C=NNc2nc(SCC(=O)Nc3cc(OC)c(OC)c(OC)c3)n[nH]2)cn1 1084627194 DQFJYLJYEWICKS-UHFFFAOYSA-N 460.520 2.224 30 10 JEEE Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCC(O)(CN3CCOCC3)CC2)cc1C 1137769634 IAGNTYURQOCLTD-UHFFFAOYSA-N 451.571 2.380 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCS(=O)(=O)C(C)(C)C 1286279202 KFERAPBWMCYAFE-OAHLLOKOSA-N 452.602 2.020 30 10 JEEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C2CCOCC2)CC1 1286317500 RKRZMZNVJANZFT-UHFFFAOYSA-N 471.627 2.453 30 10 JEEE C#CCN(c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCOCCOC)[C@H]1CCS(=O)(=O)C1 1286385144 UQRUVQKCMJWUOK-HKUYNNGSSA-N 492.667 2.421 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCN1CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1286387595 GQNBYZHRMBLYTJ-AEFFLSMTSA-N 463.007 2.105 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CC1(SC)CCN(C)CC1)[C@@H]1CCS(=O)(=O)C1 1286388542 RCOKSAJFRWHDRJ-GOSISDBHSA-N 477.656 2.301 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccc(NC(=O)CCC)cc1)[C@@H]1CCS(=O)(=O)C1 1286394632 OYOFUIUPUSTEOS-PZJWPPBQSA-N 485.610 2.196 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CC1(CCC)CC1)[C@H]1CCS(=O)(=O)C1 1286398684 MNHQAVZEGVMWPC-FHWLQOOXSA-N 450.605 2.209 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCN(C)CCOC 1286431744 YIOMOWBYTSGTEL-OAQYLSRUSA-N 472.634 2.434 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccnc(N3CCCCC3)c2)CC1 1286469209 BTODONBIUGATJP-UHFFFAOYSA-N 478.645 2.385 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@@H]2COCCO2)CC1 1286495467 WSWFOGBBAUSCBD-HXUWFJFHSA-N 469.611 2.260 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)OCC)CC1 1286546376 IVSZOBTVMWPMQH-HKUYNNGSSA-N 462.595 2.456 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1OCC)C1CC1 1286738549 WOFLGFKOEVPNIY-FQEVSTJZSA-N 461.588 2.213 30 10 JEEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC1CN(C(=O)OCc2ccccc2)C1 1286774680 BFUQLILDXAUCSB-IBGZPJMESA-N 459.572 2.071 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccccc2Br)C1 1286801023 VEGJEVIPOYXBMC-HOCLYGCPSA-N 484.420 2.480 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(C[S@](C)=O)cc2)C1 1286811714 HDTWLGAQNTZBAB-WEZXKFLESA-N 457.600 2.109 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(CCOC)[C@H](C)C1 1286815774 DUCMISNJRQSRGY-QGZVFWFLSA-N 468.023 2.356 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1286820496 MJZHHOCANINPEQ-HXUWFJFHSA-N 466.696 2.072 30 10 JEEE CCCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1293740036 BEXMJXRWXGMBLO-NHCUHLMSSA-N 499.641 2.126 30 10 JEEE CNC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cnccc2OC)C1 1299094706 DUJRETJPVDHPMH-GOSISDBHSA-N 461.526 2.143 30 10 JEEE COC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](N2CCOCC2)C(F)(F)F)CC1 1299376436 HSVMFUBQIAQGRO-IBGZPJMESA-N 492.502 2.469 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1CN(C(=O)OC(C)(C)C)C1 1300287183 VPRUXQMWWAYPSM-MRXNPFEDSA-N 463.546 2.246 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2CC[S@](=O)CC)c1 1300334094 HVNXMJYIZGPYAB-JGCGQSQUSA-N 450.568 2.089 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2OCCC2(C)C)c1 1300334729 RPNRIRLAKYWKLY-UYAOXDASSA-N 485.610 2.052 30 10 JEEE C#CCN(c1nnc(C(C)C)n1CCN(CC)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1300482485 FVTAYKFMOKPWPZ-QGZVFWFLSA-N 453.609 2.285 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1CCNC(=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1300486780 BCMAHAMOOJALCM-GOSISDBHSA-N 457.600 2.043 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H]1CCOc2ccccc21 1300578157 IFFWQXADXZKMEZ-NZQKXSOJSA-N 497.621 2.030 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCNC(=O)c1ccco1 1300584136 QXEJLSHTLDZQSS-LJQANCHMSA-N 496.568 2.072 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCn2ccnc2C1 1300671607 LTDOBKHHXFDDFQ-UXHICEINSA-N 499.616 2.132 30 10 JEEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1300756563 PVJYPYWQIACHNH-UHFFFAOYSA-N 498.531 2.267 30 10 JEEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1300756752 SDTGHUYRRZMZAF-UHFFFAOYSA-N 474.587 2.429 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)c(OC)c2)n1CCC(=O)N1CCOCC1 1300790586 SUAHZEJMRKSOLZ-XMMPIXPASA-N 453.543 2.203 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C(C)(C)O)c1 1300915198 JJQKWRWPDHOBFO-HXUWFJFHSA-N 477.631 2.289 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(Cc2ccc(F)cc2)CC1 1300952010 DMJRLJDJWXARBG-OAQYLSRUSA-N 492.621 2.039 30 10 JEEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 1301016886 CLSAXMKUSZBWHI-AWEZNQCLSA-N 477.031 2.382 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cc(C)nc4ccccc34)n2CCS(=O)(=O)NC)C1 1301543045 HWEVJZABDXCSTN-KRWDZBQOSA-N 456.572 2.132 30 10 JEEE CC(C)(C)C(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC(F)F)C1 1302005149 ACHQABXIRGAIJV-QGZVFWFLSA-N 473.528 2.329 30 10 JEEE CC(C)CO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1303225144 BHXSBNZFYATJKQ-TZIWHRDSSA-N 472.615 2.350 30 10 JEEE C[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1)Oc1ccc(F)cc1 1303721750 HREQYMZHDIWJAF-SXGZJXTBSA-N 451.499 2.229 30 10 JEEE CC[C@@H](C)NC(=O)c1cccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@H](C#N)C2)c1 1305622738 IDTTVDRTUMZMCK-YLJYHZDGSA-N 488.552 2.231 30 10 JEEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(Br)c3ccccc3c2)CC1 1311203153 BFGFZJCYQKJXDC-UHFFFAOYSA-N 451.346 2.219 30 10 JEEE COc1cc(Cl)ccc1-c1nnc(N2CC[C@@](F)(C#N)C2)n1CCC(=O)N1CCOCC1 1315326288 DFZWAOKXHJQPMT-OAQYLSRUSA-N 462.913 2.298 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2CCCO2)c1 1358903546 AVUZJVAWSPOVAU-DWLFOUALSA-N 453.543 2.237 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H](c1ccsc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1358967700 QIWJEZOLORKFDW-GBESFXJTSA-N 463.629 2.121 30 10 JEEE C#CCN(c1nnc(CSc2ccc(C)cc2)n1C[C@@H]1CC[C@H](CO)O1)[C@@H]1CCS(=O)(=O)C1 1358967770 RPSLQVZKPAMLCN-HSALFYBXSA-N 490.651 2.045 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](CC)c3ccccc3)n2CCCS(C)(=O)=O)CC1 1359040936 JYOOPEMJVGVDPG-OAQYLSRUSA-N 471.627 2.221 30 10 JEEE C#CCSCCn1c(-c2ccccc2F)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1359053349 KMWZZRJPBWDWTC-AVRDEDQJSA-N 470.618 2.439 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](CCc2ccccc2)C1 1359056365 DFYWJQDJJRAUMW-NHCUHLMSSA-N 474.652 2.385 30 10 JEEE C#CCSCCn1c(Cc2ccncc2)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1359058790 PVYHQXOPCSKYIP-UHFFFAOYSA-N 460.563 2.363 30 10 JEEE C=C(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(CCS(C)(=O)=O)C1CC1 1359117116 FRFDKACFLZVACD-UHFFFAOYSA-N 451.980 2.451 30 10 JEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 1359135982 VDISTVIZXNHGNS-ZWKOTPCHSA-N 462.595 2.343 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(F)(F)C2(OC)CCOCC2)CC1 1359179307 QYWFZYNQTCQJKH-QGZVFWFLSA-N 474.574 2.414 30 10 JEEE C=CCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1359220118 OYFGVYANBZOXME-UHFFFAOYSA-N 493.616 2.456 30 10 JEEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1CCN(CCN(C)C)CC1 1359239976 CEAFSACFIZOVIM-UHFFFAOYSA-N 467.666 2.348 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@](C)(O)CC 1359282156 RYWZDTZAYXTEKL-JTSKRJEESA-N 453.584 2.386 30 10 JEEE C=CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 1359286489 UNTAYFZKYZYEMT-UHFFFAOYSA-N 485.614 2.194 30 10 JEEE C=CCNC(=O)Cn1c(N(C)Cc2ccc(Br)o2)nnc1[C@@]1(OCC)CCOC1 1359305798 NAKXMTVUTNUKHG-LJQANCHMSA-N 468.352 2.224 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@]2(N(C)C)CCSC2)C1 1359326862 LNDZNCJHFLKYIV-LMVRJCEZSA-N 451.637 2.221 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@H](CC)C1 1359328483 FHSGEZIYDAGTIZ-SFHVURJKSA-N 495.671 2.423 30 10 JEEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3cccc(S(=O)(=O)NCCOC)c3)n[nH]2)c1C 1454454555 AWKAUAAOGZUZBV-UHFFFAOYSA-N 458.544 2.253 30 10 JEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)OCC)([S@](C)=O)CC1 1468159579 VYLJILAZDBOGRF-MMEWPQADSA-N 450.985 2.325 30 10 JEEE CCc1nc(CN2CCN(c3nnc(-c4cccc(C#N)c4)n3CCC(=O)NC)CC2)cs1 1498483668 HNWWCYVCPRYDCD-UHFFFAOYSA-N 464.599 2.294 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCN2CCCCC2)CC1 1507734499 NYYIZKYTJPDPMJ-UHFFFAOYSA-N 488.434 2.487 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCCN(S(C)(=O)=O)CC1 1507802366 AEUDCYQCHFAMDR-FXAWDEMLSA-N 480.660 2.087 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1508078136 VBSOGYCYUCATRM-LBPRGKRZSA-N 467.393 2.128 30 10 JEEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 1508148651 WDIHCDLAWMIKQW-OAQYLSRUSA-N 470.643 2.289 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(C2CCC(C)CC2)CC1 1508148824 XXUXQKFHBNZRNL-SOAGJPPSSA-N 451.637 2.431 30 10 JEEE C=C(C)COCCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1 1517190617 XKRROTKZNDXROU-UHFFFAOYSA-N 451.589 2.020 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2C[C@@H]2NC(=O)CC2(C)C)c1 1539042229 CXALWKCPXLVLFN-NRFANRHFSA-N 471.565 2.235 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(C)nc1 1539265285 FDPSZXZUTZDXLG-FQEVSTJZSA-N 450.543 2.411 30 10 JEEE C#CCN(CC)c1nnc(-c2cc(F)ccc2Br)n1CC(=O)N1CCOCC1 1539346170 BZFXNYHJTGZFSZ-UHFFFAOYSA-N 450.312 2.165 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@]2(O)CCO[C@H]2C)CC1 1539470649 UKTMTFJGBNYTAG-UPCLLVRISA-N 489.523 2.052 30 10 JEEE C#CCSCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1539498266 UQZSMYMPKDQWOH-QGZVFWFLSA-N 490.536 2.386 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(CC(C)C)C(=O)C1 1539614821 CRCDHIHLNVAXBK-WIYYLYMNSA-N 460.623 2.482 30 10 JEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CC(=O)NC2CCCC2)CC1 1539744719 UKFQPMCXBMNNKN-HXUWFJFHSA-N 458.607 2.487 30 10 JEEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](CN2CCOCC2)C1 1539759031 WSAGTLWILIWERX-JOCHJYFZSA-N 457.623 2.281 30 10 JEEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1539953614 SWEFMPDRDCUIIN-QGZVFWFLSA-N 478.594 2.346 30 10 JEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(OC(C)(C)C)CC1 1540006649 VKMCUZWTCJZWRL-GOSISDBHSA-N 455.625 2.361 30 10 JEEE CCN1C(=O)c2ccc(C(=O)N3CCN(c4ccc(C#N)cc4Cl)CC3)cc2S1(=O)=O 1540141962 DCROPALMLYIDDY-UHFFFAOYSA-N 458.927 2.338 30 10 JEEE CC(C)NS(=O)(=O)CCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCO[C@H](C#N)C1 1543874027 BJGSHKCGOGRNOD-DOTOQJQBSA-N 478.644 2.188 30 10 JEEE CCS(=O)(=O)N(C)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCS[C@H](C)C1 1548329604 BYGWBEIHFIBKLW-QGZVFWFLSA-N 478.644 2.342 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(C(C)C)n1C[C@H]1CCN(S(C)(=O)=O)C1 1555544688 GMHMEHCNYHZVII-FQEVSTJZSA-N 460.604 2.208 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCCNC(=O)c1cccc(O)c1 1587568434 QCXGMRZEGDTDFH-KOSHJBKYSA-N 455.559 2.302 30 10 JEEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@H](NC(C)=O)C1 1587718317 CGGGPZITNCMOKY-FQEVSTJZSA-N 472.615 2.104 30 10 JEEE C#CCN(c1nnc(C2CC2)n1C[C@H]1CCCN1C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1588049635 KBBJDRVVOVJXFS-QZTJIDSGSA-N 463.604 2.182 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1Cc1ccnc(SC)c1)[C@H]1CCS(=O)(=O)C1 1588064242 DOUVKKOYVRDAIW-SFHVURJKSA-N 488.664 2.426 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccc(C)n3)n2Cc2cc(C)nn2C)n1 1588723712 OVMHOFAEVKEBBX-UHFFFAOYSA-N 459.558 2.221 30 10 JEEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2ccccc2C)C1 1593696185 KUCYDZZSQDENSU-ICSRJNTNSA-N 463.604 2.367 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CSc2ccccc21 1595303264 ORVMJDJVUBANGQ-IEBWSBKVSA-N 493.655 2.139 30 10 JEEE C=CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1595319404 OTHIPVHRMXFSOK-INIZCTEOSA-N 476.534 2.383 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1595593849 JDWMXZQYGCEWMI-LJQANCHMSA-N 480.573 2.218 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H]1c1nncn1C 1595602077 DWNLXZYECDLQCT-SJORKVTESA-N 485.593 2.122 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC(S(=O)(=O)c2ccccc2)CC1 1595831466 QQTDRWUTGLLKHL-HXUWFJFHSA-N 494.639 2.173 30 10 JEEE CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C2CC2)N(C)C)CC1 1613441685 GXPYPMVPVOMZOF-XXBNENTESA-N 478.645 2.194 30 10 JEEE Cc1nn(C)c(N2CCN(C(=O)c3ccc(=O)n(Cc4ccccc4Cl)c3)CC2)c1C#N 1616430327 GJSOCPMPEXKDFJ-UHFFFAOYSA-N 450.930 2.426 30 10 JEEE C=CCNc1ncc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OCC)s1 1630521572 NKPXDOYYAFWFCA-UHFFFAOYSA-N 452.558 2.413 30 10 JEEE C#CCNS(=O)(=O)c1ccc(C(=O)N(CCO)Cc2ccc(Br)s2)cc1 1634740580 BMILPGJOBKUKTF-UHFFFAOYSA-N 457.371 2.057 30 10 JEEE C#CCN1CCN(C(=O)CSc2nnc(COc3ccccc3)n2Cc2ccco2)CC1 1643133961 DZIZZTOVVRIADM-UHFFFAOYSA-N 451.552 2.368 30 10 JEEE CC(C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1ncnn1CC(F)F 1649540115 BEQCSLWWKYRCLS-UHFFFAOYSA-N 457.489 2.082 30 10 JEEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(N3CCCCCCC3)c(F)c2)CC1 1670703182 KTWIOBMCPLOFBB-UHFFFAOYSA-N 451.568 2.213 30 10 JEEE Cc1ccc([C@@H](CNC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)N2CCOCC2)o1 1676047136 HJZVGNOTAYLDBP-NHCUHLMSSA-N 451.527 2.328 30 10 JEEE C#CCCCn1c(N2CCN(C(=O)c3ccc(O)cc3)CC2)nnc1[C@]1(OCC)CCOC1 1689940781 CMWFIWZUBMXBIM-DEOSSOPVSA-N 453.543 2.012 30 10 JEEE C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@@H]1CCSC1(C)C)[C@H]1CCS(=O)(=O)C1 1689979834 ICKISMUJJPNTJC-BZSNNMDCSA-N 470.661 2.161 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CC(C)(C)CN(C)C)[C@@H]1CCS(=O)(=O)C1 1689982354 LGJSJWHCDCRNMN-HXUWFJFHSA-N 454.600 2.031 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@@H]1CCCOC1)[C@@H]1CCS(=O)(=O)C1 1689996926 RHMXHYFILQODCH-ZWKOTPCHSA-N 462.547 2.050 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC1([S@@](C)=O)CC1 1690100974 JXTCEFITZYKQPL-UUWRZZSWSA-N 482.610 2.233 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H](N2CCOCC2)C(F)(F)F)CC1 1690134738 DAAFDDBMOMABEA-HSALFYBXSA-N 498.594 2.215 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCCn2ccnn2)CC1 1690138259 XAZNWFKBKCRMDX-UHFFFAOYSA-N 484.511 2.194 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCOc1ccccc1C 1690206620 WATUHYKQRMLZEW-XUZZJYLKSA-N 487.626 2.381 30 10 JEEE C=C(Cl)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1690352485 GACKGFMCNQJCLN-JOCHJYFZSA-N 469.933 2.296 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2csc(C)c2)CC1 1690411377 KSCGYOVPQHTSHJ-SFHVURJKSA-N 451.618 2.432 30 10 JEEE C=CCC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1690437362 AOFKAODFDDZGKM-UHFFFAOYSA-N 458.588 2.413 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C)(C#N)CC1 1690671966 FCFXLWOQRREGMR-KRWDZBQOSA-N 473.578 2.019 30 10 JEEE C[C@@H]1CC[C@@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2CCNS(=O)(=O)Cc2ccon2)C1 1693602446 DJPMSQBHLQEPQE-QZTJIDSGSA-N 499.597 2.461 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1cccnc1-n1cccn1 1705481667 KUQYJLAHOACJIY-KRWDZBQOSA-N 461.551 2.436 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@]2(O)CCOC2)c1 1705508352 TXSCRPQRKRRDPT-MZEQIWSPSA-N 481.597 2.404 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1705570230 LTMNSCOKSQRTNY-WOJBJXKFSA-N 458.584 2.073 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCC2(C1)OCCO2 1705619161 JBPQWLOAMIEDAU-HKUYNNGSSA-N 491.589 2.210 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC(C)(C)CN(C)C)CC1 1705643322 AZLAWYMAPRRBGA-BGYRXZFFSA-N 473.666 2.392 30 10 JEEE C=C(C)COCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(C(=O)COC)CC1 1705734603 VHRYHOCVVKQYOD-UHFFFAOYSA-N 452.559 2.325 30 10 JEEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1705738280 RKSGJXFYPPFIDG-UHFFFAOYSA-N 481.645 2.381 30 10 JEEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@@H](C(F)F)C1 1705900743 NYDKKOJTRRCRPN-CQSZACIVSA-N 467.546 2.022 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1705933822 SKXSEAFMPTZSCD-MRXNPFEDSA-N 461.979 2.322 30 10 JEEE CC(C)(O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1706198076 BUBALNGRHLMDFY-UHFFFAOYSA-N 452.559 2.053 30 10 JEEE CC[C@@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1ccc(C#N)cc1)C1CC1)OC 1708796770 BLIQZPCPAHBCPL-LEWJYISDSA-N 488.614 2.077 30 10 JEEE COCCN(C)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(CC#N)CC1 1712425327 DYHSIKBRZVHGOF-UHFFFAOYSA-N 467.622 2.160 30 10 JEEE C#CCN(c1nnc([C@H](C)OCCOC)n1Cc1c(F)cccc1Cl)[C@@H]1CCS(=O)(=O)C1 1722363853 HKJQRWUZAGWCJU-JKSUJKDBSA-N 484.981 2.470 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1CC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1722364437 ZVIFYLUYUWOXQW-LJQANCHMSA-N 474.583 2.016 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CC=CCC1)[C@H]1CCS(=O)(=O)C1 1722368149 ZCDAUINPUBNYES-QTEQDKRBSA-N 462.616 2.302 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1722419067 MNQSOMCMSIKSBT-GOSISDBHSA-N 462.595 2.149 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCCN2CCN(CC)CC2)CC1 1722440533 ASVWQRHDQVCBAV-UHFFFAOYSA-N 486.064 2.293 30 10 JEEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)CCc1ccccc1OC 1722477082 AVFJPEBUOZMOGH-CQSZACIVSA-N 472.409 2.484 30 10 JEEE C=C(C)CN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CCCN1S(C)(=O)=O 1722499462 BMBMTONMZHICEZ-NQIIRXRSSA-N 455.625 2.145 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1(C(N)=O)CCOCC1 1722503469 AIDULKHESWOQHZ-UHFFFAOYSA-N 489.646 2.231 30 10 JEEE C=C(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 1722521271 KBXBOXZCJLBHJA-FQEVSTJZSA-N 458.588 2.270 30 10 JEEE C=C(Cl)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(C(=O)NCCOC)CC1 1722546210 WPQHSCPGYZMDCL-UHFFFAOYSA-N 482.006 2.080 30 10 JEEE N#Cc1ccc(OCc2nnc(N3CCOCC4(CCC4)C3)n2CC(=O)NCC(F)(F)F)cc1 1731184531 CSUCBRMXAQYWFH-UHFFFAOYSA-N 478.475 2.414 30 10 JEEE C#CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1740565074 IXHQTEIDHCRQJK-UHFFFAOYSA-N 477.569 2.471 30 10 JEEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CC(=O)NCC)CC1 1740597688 WXKMPZVXOAAKPJ-IBGZPJMESA-N 473.622 2.022 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 1740618607 JHLKYNLEBOZJQW-WMZOPIPTSA-N 466.510 2.352 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccnc2)n1C[C@@H]1C[C@@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1740683888 QOUVOCBROFPFDV-HKBOAZHASA-N 482.585 2.451 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H]1CCS(=O)(=O)C1 1740915026 RMMLCIKIWJTPCM-XUZZJYLKSA-N 485.610 2.429 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(OC)cc2)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1740994607 URUSSJGPLMPGJZ-RXVVDRJESA-N 476.599 2.472 30 10 JEEE CC(C)[C@H](Cn1c(CN2CCCC2=O)nnc1N1CC[C@@](F)(C#N)C1)NC(=O)OC(C)(C)C 1741319536 CZUJQMQSKISHFW-KSFYIVLOSA-N 463.558 2.392 30 10 JEEE CCn1cc([C@@H]2CN(c3nnc(COc4ccc(C#N)cc4)n3CCC(=O)N(C)C)CCO2)cn1 1746343902 HKZFGNBOZAOGSM-NRFANRHFSA-N 478.557 2.001 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[C@@H]2CCCCO2)c1 1748692062 CQWJHNMWMRMSCP-CTNGQTDRSA-N 485.610 2.196 30 10 JEEE C#CCN(c1nnc(-c2nnc(O)c3ccccc23)n1C/C=C\CC)[C@H]1CCS(=O)(=O)C1 1748814811 JFXCHYBWUMSGDZ-SBSDFTTDSA-N 452.540 2.187 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1Cc1nccn1C(F)F)[C@@H]1CCS(=O)(=O)C1 1748818725 FBJHBZWRMXCPGG-OAHLLOKOSA-N 466.539 2.197 30 10 JEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ccc(C[S@](C)=O)cc1 1748847926 YNIDQPDTLLSRLA-DHUJRADRSA-N 487.633 2.452 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1CC1(N(C)C)CCOCC1 1748944787 FIWYZWWFRFIAJK-HXUWFJFHSA-N 454.550 2.119 30 10 JEEE C=CCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1749352679 SXNBIAHNBZULAL-UHFFFAOYSA-N 472.594 2.076 30 10 JEEE C=CCCOCCn1c(-c2ccccn2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1749452222 SARNTYKIYPKNMK-OAQYLSRUSA-N 467.618 2.456 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OCC)CCOC3)n2CC2(C)COC2)c1 1760126256 SFBCEWJDYDASPH-XMMPIXPASA-N 453.543 2.023 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](C(C)C)N2CCCC2)c1 1760128524 KROGFTWMLFBHMD-YADHBBJMSA-N 477.613 2.406 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H](CC)OC)[C@H]1CCS(=O)(=O)C1 1760183249 PMJGGIUADMDDEB-VQTJNVASSA-N 473.599 2.199 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1760198262 CBAMUDUWBXZJQF-MOPGFXCFSA-N 473.002 2.271 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](C(=O)NCCCC)C1 1760336286 WXEMTXNXHGVTIE-BNDYYXHWSA-N 458.607 2.343 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C(=O)NCC)CC1 1760516271 KETJGSZXLVTDFG-IBGZPJMESA-N 469.590 2.189 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(c2nc(C)cs2)CC1 1760517195 GCWNXAZDJQDDJD-UHFFFAOYSA-N 453.572 2.347 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 1760522846 ZPKFKVUXEAFOML-FXAWDEMLSA-N 498.584 2.444 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCO[C@H](C(F)(F)F)C1 1760556787 PZZJXSOCOHLWRL-INIZCTEOSA-N 462.469 2.376 30 10 JEEE CCc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H](C)N1CCN(CC)CC1 1764553021 DAYGVCVTCLIVRY-IRLDBZIGSA-N 467.618 2.174 30 10 JEEE N#Cc1ccccc1S(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc3nc(O)oc3c2)cn1 1858290015 DVZAKIFRZHQGAN-UHFFFAOYSA-N 471.476 2.402 30 10 JEEE C=CCNC(=O)[C@H]1C[C@@H](O)CN1C(=O)c1ccc2nc(-c3cccc(OC)c3OC)[nH]c2c1 1861401095 QXIJTLAYKZDUQP-DNVCBOLYSA-N 450.495 2.125 30 10 JEEE COc1ccc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2CCCN2CCOCC2)cc1O 1862558264 RILAJGOZIUXKLS-QFIPXVFZSA-N 467.522 2.284 30 10 JEEE C=CCN(CC=C)c1nc(NC(=O)/C=C/c2cc(OC)ccc2OC)n([C@H]2CCS(=O)(=O)C2)n1 1870004725 IZCPITRCBSXSIW-HKMNZKMDSA-N 487.582 2.485 30 10 JEEE CC(=O)NCc1nnc(SCC(=O)Nc2ccccc2)n1/N=C/c1ccccc1[N+](=O)[O-] 1874431896 DJHJXDUVHPSOAE-SSDVNMTOSA-N 453.484 2.435 30 10 JEEE CCCNC(=O)CSc1nnc(CCOC)n1/N=C/c1cc(Br)cc(OC)c1O 1874470660 LMDNLRQCXFNAAV-UFFVCSGVSA-N 486.392 2.444 30 10 JEEE C=CCn1c(C(=O)N2CCN(CCO)CC2)cc2c(NCCc3ccc(F)cc3)ncnc21 1875227946 RWUFYSZOAJUAJL-UHFFFAOYSA-N 452.534 2.161 30 10 JEEE CC(C)N1C(=O)CS[C@H](C(=O)NCC2(O)CSCCSC2)[C@@H]1c1ccc(C#N)cc1 1889980177 LWHUDKKZHCJLJZ-OALUTQOASA-N 465.666 2.279 30 10 JEEE N#Cc1nccnc1OCC1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccc(Cl)c2)CC1 1892017169 JPVMNCVIVFAAHX-HXUWFJFHSA-N 489.985 2.472 30 10 JEEE N#C[C@H]1CN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)CCN1Cc1ccccc1 1914916596 AXMNIQZDKAZQSV-NRFANRHFSA-N 480.590 2.493 30 10 JEEE C#CCN(C(=O)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)[C@H]1CCS(=O)(=O)C1 2180103427 DHQOQMQOLIPYCC-NRFANRHFSA-N 489.638 2.195 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCO[C@](C)(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2180985605 RJYCNWCGAGWRPE-NYHFZMIOSA-N 462.356 2.177 30 10 JEEE C[C@@H](C(=O)NCc1cccc(B2OC(C)(C)C(C)(C)O2)c1)N1CC(NC(=O)OC(C)(C)C)C1 2188298189 IXXZWNGBPRSKSM-INIZCTEOSA-N 459.396 2.199 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]1CNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2255950506 OUIYAIUKPKUBCR-UONOGXRCSA-N 472.438 2.486 30 10 JEEE Cc1nc(C(=O)N2CC[C@@H](NC(=O)C(F)(F)F)[C@@H](C)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2267169045 VYOMHTOUFOGICB-CMPLNLGQSA-N 461.315 2.280 30 10 JEEE CN1CCN(C(=O)OC(C)(C)C)[C@H](CNC(=O)c2csc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267554173 WWPOTLAFQITYLY-MRXNPFEDSA-N 465.425 2.328 30 10 JEEE CC1(C)OB(c2ccsc2S(=O)(=O)N2CCC[C@@H](CNC(=O)C(F)(F)F)C2)OC1(C)C 2267712675 XUGYBTBTARWPHE-LBPRGKRZSA-N 482.355 2.127 30 10 JEEE C=C(CS(=O)(=O)N1CCC(CO)(CNC(=O)OC(C)(C)C)CC1)B1OC(C)(C)C(C)(C)O1 2267727841 MONZWDBJOGIXPX-UHFFFAOYSA-N 474.429 2.103 30 10 JEEE COC[C@H](ONC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccc(B2OC(C)(C)C(C)(C)O2)s1 2268629741 APAQBULAGQVRKS-HNNXBMFYSA-N 470.397 2.477 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](O)C[C@@H]1C(=O)NCc1sccc1B1OC(C)(C)C(C)(C)O1 2268645530 FTPKKMRFOBNEOO-GDBMZVCRSA-N 466.409 2.424 30 10 JEEE CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccc(B2OC(C)(C)C(C)(C)O2)s1 2268646063 SBINXMNTAFVCLT-INIZCTEOSA-N 467.441 2.461 30 10 JEEE CC1(C)OB(c2nscc2C(=O)N2CC(COCc3ccccc3)(C(=O)O)C2)OC1(C)C 2269058085 PZLZGVYDTJVGBR-UHFFFAOYSA-N 458.345 2.186 30 10 JEEE Cn1ncc(C(=O)N2CCC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)c1B1OC(C)(C)C(C)(C)O1 2281824664 WJPMRTVTAPNCGA-NVXWUHKLSA-N 460.384 2.191 30 10 JEEE CC(C)(C)OC(=O)N1C[C@]2(F)CCC[C@@]2(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2281983183 SKVWADJNWZLUNL-FGZHOGPDSA-N 464.347 2.320 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H](CNC(=O)OC(C)(C)C)C[C@@H]1C 2282000629 QNHASEMPCSWDSA-HOCLYGCPSA-N 462.400 2.403 30 10 JEEE CC(C)(C)OC(=O)N1CC(c2nc(NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)sn3)n[nH]2)C1 2282011993 PPZGZALSUMIDLQ-UHFFFAOYSA-N 476.368 2.147 30 10 JEEE Cn1nc(C(=O)Nc2nnc(CNC(=O)OC(C)(C)C)o2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2282046646 NYASJYVSGNVTFK-UHFFFAOYSA-N 482.734 2.033 30 10 JEEE CCn1cc(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)n1 2282063099 HPAQYPWRLQISGG-GJZGRUSLSA-N 460.384 2.140 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N=c1nc(CNC(=O)OC(C)(C)C)[nH]s1 2282130594 BVVCBTZAPBISRO-UHFFFAOYSA-N 477.396 2.358 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NCC[C@@H]1CN(Cc2ccccc2)CCO1 2282182864 YKELQYIHGFRUOB-OAQYLSRUSA-N 453.392 2.345 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1COCCN(C(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2F)C1 2282395035 GTKAZLHORRIQKW-OAHLLOKOSA-N 464.343 2.491 30 10 JEEE C[C@@H](CNC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1)N1CCN(C(=O)OC(C)(C)C)CC1 2282514795 IUDRCECPNOFIAO-HNNXBMFYSA-N 480.440 2.113 30 10 JEEE Cn1cc(C(=O)N2C[C@@H](NC(=O)OC(C)(C)C)CC(F)(F)C2)nc1B1OC(C)(C)C(C)(C)O1 2282551529 DVAIGFQYEZDDTD-ZDUSSCGKSA-N 470.326 2.094 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@]23CCC[C@H]2CN(C(=O)OC(C)(C)C)C3)n1 2282551909 GSUNHFVZPHFHLT-WNSKOXEYSA-N 460.384 2.239 30 10 JEEE Cc1c(C(=O)N2C[C@H](C)C[C@@H](NC(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282554602 GNQDHFIRDITSLF-GDBMZVCRSA-N 462.400 2.403 30 10 JEEE Cn1ncc(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@@H]2C(F)F)c1B1OC(C)(C)C(C)(C)O1 2282561509 ZUWNHZQQLCWDKU-ROUUACIJSA-N 460.334 2.215 30 10 JEEE Cc1c(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC23CC3)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282593939 XLJNVCZDXUZCIC-OAHLLOKOSA-N 460.384 2.157 30 10 JEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CCC(C)(C)N(C(=O)OC(C)(C)C)C2)n1 2282613859 NPIBIWIWMYFKMZ-AWEZNQCLSA-N 463.388 2.022 30 10 JEEE Cc1ccc(C(=O)NCC2(O)CC(NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2282687725 JXCYTXZLNXXRCS-UHFFFAOYSA-N 460.380 2.442 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2CCN(S(=O)(=O)Cc3ncsc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2282837349 DDULEMJPFUNNPC-ZBFHGGJFSA-N 499.464 2.213 30 10 JEEE C[C@H]1CN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C[C@@]1(C)CNC(=O)OC(C)(C)C 2283061766 QPUNEAFZSHONON-NPMXOYFQSA-N 460.384 2.399 30 10 JEEE CC(C)(C)OC(=O)N1CC(O)(CC(=O)NCCc2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2283962211 DPWMEYXZGJMOJA-UHFFFAOYSA-N 460.380 2.016 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)N1CCc2cc(B3OC(C)(C)C(C)(C)O3)ccc21 2283963641 PGTOTPFBSBBFNL-HKUYNNGSSA-N 458.364 2.245 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CCC(N)=O)C(=O)Nc1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2284037664 DEIATUDTHZZPDW-INIZCTEOSA-N 465.331 2.222 30 10 JEEE CCn1cc(C(=O)N2C[C@@H]3C[C@]3(CNC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2288265642 YOQLYVGFMHRSOH-WNSKOXEYSA-N 460.384 2.189 30 10 JEEE CN=C1SC(=Cc2cc(I)c(OCC(=O)O)c(OC)c2)C(=O)N1C 2293990255 KXRRUVCILVLZMP-UHFFFAOYSA-N 462.265 2.295 30 10 JEEE CN(C)CCN1C(=O)C(=O)C(=C(O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccc([N+](=O)[O-])cc1 2296560887 XTZIBCOYEGJUAT-FQEVSTJZSA-N 453.451 2.349 30 10 JEEE C=CCN1C(=O)C(=Cc2c(C)c(C#N)c(=O)n(C)c2N2CCN(C(=O)OCC)CC2)SC1=S 2314426245 SCIWPFCJEXPZEK-UHFFFAOYSA-N 487.607 2.231 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC(C)(C)CCNC(=O)OC(C)(C)C)n1C 2337190187 KYDMWPKPKMSXNK-UHFFFAOYSA-N 450.389 2.451 30 10 JEEE CC(C)(C)OC(=O)N1CC(C(=O)N2CC[C@@](C)(B3OC(C)(C)C(C)(C)O3)C2)(S(C)(=O)=O)C1 2351739153 HXZFZTVJARHEMN-HXUWFJFHSA-N 472.413 2.105 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@@]12COCCN(C(=O)[C@@H]1C[C@@H]1B1OC(C)(C)C(C)(C)O1)C2 2359278697 LKRBRPJHUIKZMT-SAHWJRBASA-N 466.384 2.334 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)[C@H]2CCC[C@H]21 2367687285 QDWNVFATYRZHNF-JKSUJKDBSA-N 458.368 2.390 30 10 JEEE CCOC(=O)C1CCN(c2nc3c(c(=O)[nH]2)[C@@H](c2ccc(SC)cc2)[C@H](C#N)C(=O)N3)CC1 72444689 GLDQICPTKOLHPQ-IRXDYDNUSA-N 467.551 2.495 30 10 JEEE N#Cc1ccc(OC(F)F)c(NS(=O)(=O)c2ccc(N3C[C@@H](C(=O)O)CC3=O)cc2)c1 609068934 ADCUUDMTMSEJQV-LBPRGKRZSA-N 451.407 2.398 30 10 JEEE C#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NO[C@H](COC)C(=O)O 757457329 QNCYAPBAUWFPHG-LEWJYISDSA-N 452.463 2.064 30 10 JEEE O=[N+]([O-])NC(=Nc1ccccc1)NN=Cc1ccc(C=NNC(=Nc2ccccc2)N[N+](=O)[O-])cc1 1084393639 YKKSUHJTAQJWEY-UHFFFAOYSA-N 488.468 2.472 30 10 JEEE N#Cc1ccc(N2CC[C@H](C(=O)N3CCN(C(=O)COc4ccc(F)cc4)CC3)C2)c(F)c1 1125000461 ACIDDJCZIUSMKP-SFHVURJKSA-N 454.477 2.413 30 10 JEEE C#CCN(c1nnc(C(C)C)n1Cc1cccc(CN2CCO[C@H](C)C2)c1)[C@H]1CCS(=O)(=O)C1 1286385898 QUAWXBCPYUHHGX-OFNKIYASSA-N 485.654 2.297 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC[C@@H]1CCO[C@@H](C)C1 1286401966 UHWMJAZVQHGLMV-VQTJNVASSA-N 469.611 2.473 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C)c2nccs2)CC1 1286486559 OHZIUEYQMGTCKR-MRXNPFEDSA-N 478.582 2.151 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2ccco2)C1 1286546174 GYARSAXKIKUYKA-NBMJBFSESA-N 465.576 2.040 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccsc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1286561245 AOGYUHMRTGXYNP-PZJWPPBQSA-N 486.642 2.085 30 10 JEEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2ncc(-c3ccccc3)o2)CC1 1286585170 CIBRTFKWBCXKDG-SFHVURJKSA-N 485.614 2.442 30 10 JEEE C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1286591219 GFGZYFMJYOMUGB-UHFFFAOYSA-N 454.575 2.283 30 10 JEEE C=C(Cn1c(CNC(=O)c2cccs2)nnc1N(C)CCS(C)(=O)=O)c1ccccc1 1286618597 FDPOEFVCRNXJNN-UHFFFAOYSA-N 459.597 2.464 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 1286629116 KBRXMLMCPXCHDW-SFHVURJKSA-N 496.977 2.441 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@@H](N2CCCC2=O)C1 1286783254 IGGTZNLDAFYKRF-OAHLLOKOSA-N 491.365 2.350 30 10 JEEE C=CCOc1ccccc1Cn1c(N(C)[C@H]2CCS(=O)(=O)C2)nnc1[C@@]1(OCC)CCOC1 1286798767 OCJOKWRYFLVMTC-WMZHIEFXSA-N 476.599 2.167 30 10 JEEE CC(=O)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCOC[C@@H]2CCOC2)CC1 1286864841 XGSZSRQBLWJJSB-NRFANRHFSA-N 452.559 2.319 30 10 JEEE COC(=O)N1CCC(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](NC(C)=O)C2)CC1 1299422317 FIJOYSQFZXANNA-NRFANRHFSA-N 465.558 2.400 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H](CC)OC)[C@H]1CCS(=O)(=O)C1 1300484445 SGDQTTVSELNTSL-LSDHHAIUSA-N 470.393 2.087 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1C[C@@H]1CN(CC(C)C)CCO1)[C@@H]1CCS(=O)(=O)C1 1300488856 HDEQHDFJKZNPCD-RPWUZVMVSA-N 499.681 2.491 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1300554034 XWNZDIHASRLPKA-ZDQHKECQSA-N 469.586 2.460 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@@](C)(O)c2ccccc2Cl)CC1 1300719598 HXCPBMYYOORHGS-XMMPIXPASA-N 479.972 2.262 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H]2CCCCN2CCCC)CC1 1300719992 YLOIKJITTDGKDD-JOCHJYFZSA-N 466.634 2.299 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CC2(SC)CCOCC2)CC1 1300721795 ALOXCLUFOJKEOG-LJQANCHMSA-N 461.632 2.398 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](C)N2CCC(C)CC2)CC1 1300728603 BGBWVEMCJACERY-QFIPXVFZSA-N 480.661 2.226 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1300897386 QHEPLZCHWJZAAM-HMFYCAOWSA-N 493.605 2.495 30 10 JEEE C=C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2(CS(C)(=O)=O)CC2)CC1 1301071902 AKTRNJDKGTZONQ-UHFFFAOYSA-N 464.613 2.330 30 10 JEEE C=CCCOCCn1c(-c2cccn2C)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1301249131 QNGDQYRADFUEGX-UHFFFAOYSA-N 452.563 2.310 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1301587320 NCKSRYWOXQASAN-UHFFFAOYSA-N 497.581 2.100 30 10 JEEE N#CCCN(CC1CC1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCN(CC(F)(F)F)C1 1303012625 GNFPQPKHJOFBNF-IRXDYDNUSA-N 474.553 2.194 30 10 JEEE Cc1noc(C)c1CCn1c(COc2ccc(C#N)cc2)nnc1N(C)CCS(C)(=O)=O 1304880339 DRALGEIVPCHHKR-UHFFFAOYSA-N 458.544 2.057 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2C[C@@H]2CCCN2CCCO)c1 1358901367 IVRQKTIECYSZEF-NRFANRHFSA-N 461.570 2.176 30 10 JEEE C#CCN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1359006617 BXEUBTOWTUNVRH-XTQSDGFTSA-N 456.510 2.117 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2nnc(C(C)(C)C)s2)CC1 1359038525 ZBEJTNGIZKJKKU-UHFFFAOYSA-N 484.655 2.222 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H]2CC[C@@](C)(CC)O2)CC1 1359042179 VSAPFNOXGCVGCL-ZPZUNKDASA-N 473.618 2.244 30 10 JEEE C#CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1359060616 BKTCINBMBPLQEW-UXHICEINSA-N 455.584 2.480 30 10 JEEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1359062433 IEDDNQPOSGUEKX-FHWLQOOXSA-N 495.646 2.098 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(Br)cn2C)nnc1N1CCS(=O)(=O)CC1 1359092542 BWPAXWVAIJNYDG-YOEHRIQHSA-N 484.420 2.262 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)CCS(=O)(=O)CC 1359295454 BMPLKXUKNQMSIU-UHFFFAOYSA-N 460.387 2.425 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2OCC)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1359304719 HHBJRQQYDVOPLR-UHFFFAOYSA-N 484.601 2.253 30 10 JEEE C=CCOc1ccccc1Cn1c(-c2cccnc2)nnc1N1CCN(CC(=O)NCC)CC1 1359309961 IMYKZXZSIKTVSS-UHFFFAOYSA-N 461.570 2.211 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(Cc3cccnc3)n2C[C@H](N2CCOCC2)C(F)(F)F)C1 1359322832 CMNOOTBLLZAJPR-MOPGFXCFSA-N 466.508 2.308 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC2(O)CCOCC2)C1 1359325714 LNTGVJPAEUIRSX-NRFANRHFSA-N 453.543 2.442 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N(CC)C[C@H]1COc2ccccc2O1 1359335988 ANEIOUKKBBLHGT-FXAWDEMLSA-N 462.572 2.397 30 10 JEEE C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CC1(N(C)C)CCOCC1 1359481176 HOBVVTSXMUALFN-ROUUACIJSA-N 474.631 2.185 30 10 JEEE Cc1c(Cn2c(C(=O)NC(C)C)nnc2N2CCCN(Cc3ccc(C#N)cc3)CC2)cnn1C 1360952952 FBZPWDAWUAFNOO-UHFFFAOYSA-N 475.601 2.091 30 10 JEEE Cc1ccc(C)c(OCc2nnc(N(C)[C@H](C)CC#N)n2C[C@H]2CCN(S(C)(=O)=O)C2)c1 1361144016 BFQIOPVGRUVDQC-MOPGFXCFSA-N 460.604 2.494 30 10 JEEE C=CCOc1ccc(CN(C(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)C(C)(C)C)cc1 1459186992 GBUIGUNQUZFURN-UHFFFAOYSA-N 453.543 2.216 30 10 JEEE CS[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1505174304 CUCALQRFAGFNMI-MRXNPFEDSA-N 466.571 2.067 30 10 JEEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 1507572302 GFCHXZSMZLOKHF-UHFFFAOYSA-N 457.538 2.362 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(Br)o1 1507589442 XBNQJTQIOSKGAN-HNNXBMFYSA-N 486.392 2.016 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccc(C(F)(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 1507632051 IPEOEQLPWLTUQH-FUHWJXTLSA-N 468.501 2.476 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1Cc1ccc(-n2ccnc2)c(F)c1)[C@H]1CCS(=O)(=O)C1 1507634310 MJXITUUCRCPNCN-IBGZPJMESA-N 470.574 2.476 30 10 JEEE C#CCN(c1nnc(COCC)n1CCCc1nc2c(s1)CCCC2)[C@@H]1CCS(=O)(=O)C1 1507639050 VFWAIOWPNVIDLI-QGZVFWFLSA-N 477.656 2.409 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2ccc(OC(F)(F)F)cc2)CC1 1507731612 NFCDDUAVOJIBKK-GOSISDBHSA-N 497.543 2.077 30 10 JEEE C#CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@@H](C(N)=O)C1 1507745078 SPLGZTDIICTKNS-CYBMUJFWSA-N 451.394 2.114 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2c[nH]c3ccccc23)nnc1N(C)CC(=O)NC(C)(C)C 1508144092 NORXDOMVKDZMKH-UHFFFAOYSA-N 472.615 2.302 30 10 JEEE CS(=O)(=O)[C@@H]1CCCCN(c2nnc(-c3cccc(C#N)c3)n2CC2CCS(=O)(=O)CC2)C1 1519507695 FZDCMAUECGHBGV-HXUWFJFHSA-N 491.639 2.045 30 10 JEEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1539030536 RTWDNRYZDLFSDL-SIKLNZKXSA-N 463.586 2.129 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1ccc(OCCOC)cc1)[C@H]1CCS(=O)(=O)C1 1539215380 AUVOJHWYXGXQPG-NRFANRHFSA-N 495.605 2.349 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CCC1(COC)CCC1)[C@@H]1CCS(=O)(=O)C1 1539225309 MTFCNNRWWHDKOH-HXUWFJFHSA-N 457.600 2.097 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCN1CCC[C@@H](C)C1 1539245660 JLLJLCLHXBQHMJ-HXUWFJFHSA-N 468.627 2.000 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccccc2F)n1C[C@]1(N2CCOCC2)CCSC1 1539279147 VWTPMYODDANAKY-XMMPIXPASA-N 469.586 2.277 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H](N1CCOCC1)C(F)(F)F 1539291106 WFWHBPARHLSYHT-FQEVSTJZSA-N 472.471 2.065 30 10 JEEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1CCN(C(=O)OC)CC1 1539346842 LURIWWKSGZFQKI-UHFFFAOYSA-N 487.630 2.485 30 10 JEEE C#CCN1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCN(C)C(C)C)CC1 1539447156 OXWFCAFRTZIBPN-UHFFFAOYSA-N 473.666 2.488 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccc(OC)cc3)n2CC[C@H]2CCOC2)CC1 1539484307 KLPSQKLVPZMEAQ-NRFANRHFSA-N 465.598 2.464 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2CC(C)(C)N2CCOCC2)CC1 1539489596 VFXACDZUWRFDMC-UHFFFAOYSA-N 494.640 2.242 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)c1nc(C)cs1 1539556484 DKKIBIMDUFUKGV-LDBYXDLTSA-N 478.644 2.172 30 10 JEEE C=C(C)COCCn1c(N2CCN3C(=O)OC[C@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1539760190 XOZQRDNPZVPHIY-FGTMMUONSA-N 476.578 2.282 30 10 JEEE C=CCN(c1nnc(COc2ccc(Cl)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1)C1CC1 1540115898 KQJJSHMDIKGHPP-FQEVSTJZSA-N 452.964 2.215 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc(C)o2)n1C[C@@]1(O)CCS(=O)(=O)C1 1540120104 CDZZMPHIZHNPDJ-QHCPKHFHSA-N 467.551 2.460 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C#N)o1 1540133004 CRQWQFBOHFMYQI-OAQYLSRUSA-N 482.566 2.317 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc(C(=O)NC(C)C)n1C[C@H]1CCCS(=O)(=O)C1 1540177581 RZMNPMCDBAFZBK-HXUWFJFHSA-N 459.616 2.476 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCOC2)n1CCN1CCN(C(C)=O)CC1 1540180776 UXPAQNFTRVIZFX-QHCPKHFHSA-N 452.603 2.181 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(O)(c2ccccc2Cl)CC1 1540862155 SVKMKQWKCOLEPU-UHFFFAOYSA-N 495.971 2.369 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CCN(CC(F)F)CC1 1540865416 FZIZFXMIJMGKDI-UHFFFAOYSA-N 475.363 2.458 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN2CCCC[C@H]2C1 1540870005 CBHSJDQWUODCSL-PMACEKPBSA-N 487.649 2.369 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1CCC[C@H](n2cncn2)C1 1540875166 CTKRPTIISLJUMU-KRWDZBQOSA-N 468.587 2.314 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC[C@](C)(OC)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1540876354 ORTCDKOOOWFWPI-MFEFFIJZSA-N 462.595 2.356 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCC2CCCC2)C1 1540891963 CKPQNVQXIRGYQK-UXHICEINSA-N 467.636 2.363 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCC(NC(=O)c2ccc(C)s2)CC1 1540903279 BZCNFOKMDKYOQP-UHFFFAOYSA-N 451.618 2.210 30 10 JEEE CC(=O)NC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)N2CCCCC2)CCO1 1541082370 FMQIYBYCOVQUEO-HSZRJFAPSA-N 495.628 2.335 30 10 JEEE CC(C)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCn2ccnn2)[C@H](C)C1=O 1541566603 CYHJWOAUGYZQID-LJQANCHMSA-N 477.573 2.104 30 10 JEEE C#CCCCn1c(Cc2ccccc2F)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1587865879 ZMAWIJWWYKIRPT-AUSIDOKSSA-N 452.578 2.410 30 10 JEEE C#CCN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCCC)[C@H]1CCS(=O)(=O)C1 1588030252 RNNKSNCZIFKNBE-SFHVURJKSA-N 463.991 2.288 30 10 JEEE C#CCN(c1nnc(-c2csc(N3CCOCC3)n2)n1CCCCC)[C@@H]1CCS(=O)(=O)C1 1588049370 FOVOUOXBQLFYFY-QGZVFWFLSA-N 478.644 2.055 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2c(F)cccc2Cl)CC1 1588923523 CDJWGBSVJJDXNL-UHFFFAOYSA-N 455.925 2.485 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CCCN2CCCCC2=O)CC1 1588946291 AXTYPAOWUVYHJQ-UHFFFAOYSA-N 480.588 2.376 30 10 JEEE C=C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC2(OCCOC)CCOCC2)CC1 1594024091 RTCIVHPVQLNTQS-HSZRJFAPSA-N 450.580 2.299 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1595760429 MQODJZHNCLAHSA-HBMCJLEFSA-N 494.706 2.019 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1595805671 SDKORCZZVFZUCJ-UHFFFAOYSA-N 468.693 2.471 30 10 JEEE C=C(Cl)C[C@@H](NC(=O)c1ccc(CC)c(S(=O)(=O)N2CCOCC2)c1)C(=O)OCC 1596777424 BAGQZLPIYDDXGX-QGZVFWFLSA-N 458.964 2.074 30 10 JEEE CCc1nn(C)c(CC)c1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1613893398 DNLFPIWLBQJKAQ-KRWDZBQOSA-N 496.641 2.193 30 10 JEEE CO[C@@H]1COCC[C@H]1Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCO[C@H](C#N)C1 1619540937 DNKBELIERIDAHJ-XUVXKRRUSA-N 490.605 2.173 30 10 JEEE CCCN([C@H](COC)C(=O)OCC)S(=O)(=O)c1cc(Br)c(C#N)cc1F 1654960166 FHMSSSKQYLQYBO-CQSZACIVSA-N 451.314 2.439 30 10 JEEE C#CCN(C(=O)NC(c1nccn1C)c1nccn1C)C1CCN(C(=O)OC(C)(C)C)CC1 1682829740 GPDJRCJGPMIKDC-UHFFFAOYSA-N 455.563 2.287 30 10 JEEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H](c1ccc(C)o1)N1CCOCC1 1689950944 HPCYWTSNVOQGCU-NRFANRHFSA-N 483.594 2.393 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCSC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1689997312 ZUVGGOADEBVDQB-OAHLLOKOSA-N 476.550 2.019 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC[S@](=O)C(C)(C)C)CC1 1690117525 KLMMFMIXKJKNCM-YTTGMZPUSA-N 459.616 2.265 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2CCN2CCCC2)CC1 1690148713 RAMOKCXJIVLEGW-UHFFFAOYSA-N 456.541 2.209 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CCCOC(F)(F)F)CC1 1690148775 UDILOWGMXBPNJB-UHFFFAOYSA-N 450.465 2.156 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H](OC)C(C)(C)C)CC1 1690154205 JYVPLWHLARDPPI-UFYCRDLUSA-N 461.607 2.029 30 10 JEEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1690178733 FFZNXGPLLXQUBV-NRFANRHFSA-N 481.670 2.153 30 10 JEEE C#CCSCCn1c(N2C[C@H]3CCC(=O)N[C@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1690185869 IDHHBFWKLYGRNF-BDXSIMOUSA-N 474.631 2.130 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(=O)NC(C)C 1690195912 RJJPRLDIEFYPFX-JOCHJYFZSA-N 457.604 2.063 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2csc(N3CCOCC3)n2)n1CCNC(=O)C(C)(C)C 1690202767 DNGDUPJIOWURBZ-HSZRJFAPSA-N 471.631 2.393 30 10 JEEE C=C(C)COCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(C(=O)NC)CC1 1690311122 DCWIDNFDRPAGDE-UHFFFAOYSA-N 468.606 2.007 30 10 JEEE C=C1CCN(c2nnc(CN3CCCC3=O)n2CC[C@@H](N2CCOCC2)C(F)(F)F)CC1 1690381042 YJVOOFNZQSZBAU-QGZVFWFLSA-N 456.513 2.210 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](OC)C(C)(C)C1 1690432565 GNOYXRUYKYTJQQ-SJORKVTESA-N 455.625 2.075 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(C(C)C)CC1 1690433630 YIXBLWCAQQQQAJ-IBGZPJMESA-N 468.668 2.134 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C(C)=O)C[C@@H]1C 1690718885 BIYZQSRUIDOKAL-AWEZNQCLSA-N 469.970 2.395 30 10 JEEE CC(C)(C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1691034226 GYZBLIWUBZCMNV-IBGZPJMESA-N 472.615 2.383 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1CC(C)C)[C@H]1CCS(=O)(=O)C1 1705560767 KDVXVOXLNWKWBM-HNNXBMFYSA-N 454.394 2.329 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc4cccnc34)n2CCN(C)CCOC)CC1 1705646154 SSRUMPDJDCYUID-UHFFFAOYSA-N 475.597 2.037 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@@H](C(=O)NC)C1 1705707847 SMBIPFPRPHOXHZ-MFKWGIFDSA-N 461.607 2.129 30 10 JEEE C=C(C)COCCn1c(-c2ccccc2C)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1705732613 FUUXRMXTSLOZHH-UHFFFAOYSA-N 486.598 2.486 30 10 JEEE C=C(C)COCCn1c(-c2cccc3cccnc23)nnc1N1CCO[C@@H](CNC(C)=O)C1 1705732723 IALFPWBMPBZNES-FQEVSTJZSA-N 450.543 2.427 30 10 JEEE C=CCCOCCn1c(-c2ccccc2F)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1705827936 VZMJZCCUMMOKJF-IBGZPJMESA-N 456.522 2.444 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@]1(O)CCSC1 1705863233 LGGHOEIXZSUOGI-YWZLYKJASA-N 469.608 2.088 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 1705902789 JRDJBLWUSKDPOA-RBUKOAKNSA-N 471.537 2.361 30 10 JEEE C=CCS(=O)(=O)CCn1c(CSc2ccc(C)cc2)nnc1N1CCN2CCOC[C@H]2C1 1705938751 ILOQRANDJBDBLZ-LJQANCHMSA-N 477.656 2.000 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1ccc(-n2cncn2)nc1 1708738600 CPZBGKWZJIXKBB-QHCPKHFHSA-N 462.562 2.351 30 10 JEEE N#C[C@]1(F)CCN(c2nnc(Cc3ccncc3)n2CCS(=O)(=O)Cc2ccccc2)C1 1712875554 FIAZHVJVQXTZRB-JOCHJYFZSA-N 454.531 2.321 30 10 JEEE N#Cc1ccc(OCc2nnc(N3CCS(=O)(=O)CC3)n2Cc2cccc(C(F)(F)F)n2)cc1 1712881719 GACUNZGNSZQUAJ-UHFFFAOYSA-N 492.483 2.426 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@]1(O)CCSC1)[C@H]1CCS(=O)(=O)C1 1722360331 SXEDREYNYSPUKU-KKSFZXQISA-N 498.577 2.041 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CCCOC(F)F)[C@@H]1CCS(=O)(=O)C1 1722366497 QUHSEPHYYDDCPR-CQSZACIVSA-N 474.480 2.403 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCOC1CCOCC1 1722383784 JCJOGVWZRZXPLV-NRFANRHFSA-N 487.601 2.245 30 10 JEEE C#CCN(CC)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@@]1(O)CCS(=O)(=O)C1 1722404502 AHWHBJPDJMJNAC-SFHVURJKSA-N 487.807 2.370 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(Br)cc2)n1CC(=O)NCC(F)F 1722422077 VWIFJVBWWVCZBS-UHFFFAOYSA-N 456.291 2.175 30 10 JEEE C#CCN1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCn2ccnc2C)CC1 1722437689 PDGMHAPJMINYKU-UHFFFAOYSA-N 482.633 2.353 30 10 JEEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2C[C@@H](CC(C)C)NC(=O)OCC)CC1 1722439439 CAJURJYSLVVNEY-OAQYLSRUSA-N 453.591 2.180 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Oc1ccccc1 1722474185 MMDCJFJKDQEXNV-QMHWCDLVSA-N 473.599 2.071 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC(NC(C)=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1722498754 DMFMOUMZFOOYCH-IZIIKQMZSA-N 461.607 2.405 30 10 JEEE C=C(C)COCCn1c(N2C[C@H](C)OC3(CCOCC3)C2)nnc1[C@]1(OCC)CCOC1 1722535662 DKOZOCSCVZWPKI-CVDCTZTESA-N 450.580 2.297 30 10 JEEE C=C(Cl)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1722552324 OOCKZPWRRBQABC-QVKFZJNVSA-N 466.970 2.055 30 10 JEEE C=CCn1c(N2CCC(Oc3ccnc(C(N)=O)c3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1722691331 SAXRUNVYBRGTIH-QHCPKHFHSA-N 456.547 2.046 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](c2cccc(C)c2)C1 1722724951 JTGFPHSQMXTCRS-FQEVSTJZSA-N 457.600 2.417 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1C[C@@H]1CN(Cc2ccccc2)CCO1)[C@H]1CCS(=O)(=O)C1 1740617372 QBWFOPIKVPVHEN-PUHATCMVSA-N 485.654 2.319 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CC[C@@H](C)N2CCCCC2)CC1 1740699890 XKKXRKCIDCXFMJ-HXUWFJFHSA-N 469.659 2.289 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CC[C@H]2CCO[C@@H](C)C2)CC1 1740706888 HIJMOXRIMFVTOG-FPOVZHCZSA-N 450.587 2.435 30 10 JEEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2nccc(OCC)n2)CC1 1740868958 XJQYJBNNBUNDOJ-UHFFFAOYSA-N 463.546 2.407 30 10 JEEE C=CCn1c(-c2ccccc2Br)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1740945401 GAMUMARBVGZRKC-UHFFFAOYSA-N 473.375 2.165 30 10 JEEE Cc1cnn([C@H]2CCCN(c3nnc(COc4ccc(C#N)cc4)n3CC(=O)NCC(F)F)C2)c1 1742491842 CVCTZUJGAXYVJB-SFHVURJKSA-N 484.511 2.457 30 10 JEEE COc1ccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)cc1OC 1748636669 BXBOLNGVLZDDPF-UZUQRXQVSA-N 488.614 2.374 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@H](C)COC)[C@@H]1CCS(=O)(=O)C1 1748805132 OVEDXBIFMCDTIJ-JENIJYKNSA-N 464.563 2.466 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CC1(COC)CCC1)[C@@H]1CCS(=O)(=O)C1 1748810018 ZBCXGCVWGCWBFV-LJQANCHMSA-N 458.584 2.397 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1nc(C)c(C)s1)[C@H]1CCS(=O)(=O)C1 1748819163 LRXMOEBHCUKGMI-SFHVURJKSA-N 456.597 2.012 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCc1nccnc1C 1748887176 WQQCYNZXFCTRNN-UHFFFAOYSA-N 466.549 2.479 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H](C)c1ccccc1 1748891644 BZKLLKIMLOLLGH-UNMCSNQZSA-N 469.611 2.268 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3noc4c3COCC4)n2CC[C@H](OCC)C(C)C)CC1 1749008827 HBXGXYZJVCGFML-FQEVSTJZSA-N 484.601 2.423 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3nn(CCC)c(=O)c4ccccc34)n2C[C@@H](C)OC)CC1 1749009975 YPJHPQNJFCUAHH-GOSISDBHSA-N 491.596 2.066 30 10 JEEE C#CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CCC(N2CCNC2=O)CC1 1749023607 XXAIMVQHNASDRY-UHFFFAOYSA-N 492.447 2.407 30 10 JEEE C#CCSCCn1c(N2CCN(c3ncccc3C#N)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1749049667 NRJFEMSRMVYRTM-XMMPIXPASA-N 481.626 2.278 30 10 JEEE C=C(Br)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCO[C@@H](C(=O)NC)C1 1749089672 CBZLOARDXBQZTO-OAHLLOKOSA-N 470.755 2.467 30 10 JEEE C=C(C)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1749184054 APZCSQHRDRAAEW-UHFFFAOYSA-N 454.575 2.283 30 10 JEEE C=C(C)COCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@H](C(=O)OC)C1 1749222547 IZYKLPSKDLEQOC-KRWDZBQOSA-N 466.542 2.267 30 10 JEEE C=CCCCn1c(C2CC2)nnc1N1C[C@@H]2[C@@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1749424212 DSCJOAKDFMSLTP-IKGGRYGDSA-N 451.593 2.248 30 10 JEEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1749450754 SBCDMVGVDIDMJV-UHFFFAOYSA-N 469.546 2.342 30 10 JEEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1749676974 JSYMBJOUPIUWPY-QGZVFWFLSA-N 466.508 2.275 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCCN(C(C)=O)C2)C1 1749717544 MECLCTVAQLMKDN-RTBURBONSA-N 472.615 2.309 30 10 JEEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCOC2(CCCC2)C1 1749738774 XGMDTEWZICXCME-UHFFFAOYSA-N 479.628 2.020 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1CCS(=O)(=O)NC(C)C 1760122330 JQSIPGQPWVLXRH-OAHLLOKOSA-N 484.420 2.405 30 10 JEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCCCN(C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1760179377 QXPRBRBIYWUKDF-JOCHJYFZSA-N 498.653 2.057 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCc1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 1760191403 GSJRNRHNSOWAEQ-QFIPXVFZSA-N 466.611 2.318 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1CC[S@](=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1760193070 SHUHLYDCSCGUMR-IAQAZVPISA-N 496.630 2.170 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCOc2cccc(C(F)(F)F)n2)CC1 1760256760 KKEBFUZMOKNDFN-QFIPXVFZSA-N 494.518 2.178 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2C[C@H](C)COC)CC1 1760268842 QIBDAAUIMMVOJQ-IBGZPJMESA-N 461.570 2.379 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3CC)n2C[C@@H]2CCOC2)CC1 1760272857 BAJMROZRUQCWKE-IBGZPJMESA-N 451.571 2.422 30 10 JEEE C=C(Br)Cn1c(Cc2cccnc2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1760309629 CMWKTHCHNYEWFU-KRWDZBQOSA-N 461.364 2.000 30 10 JEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccnc(N3CCCCC3)c2)CC1 1760381804 AQUACWNCZGKPMS-SFHVURJKSA-N 459.620 2.478 30 10 JEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1760440946 UKMILBQTDWXBCQ-QHAWAJNXSA-N 470.599 2.321 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1760519575 IULYLDNUAJLSCP-AZUAARDMSA-N 491.596 2.163 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(C(C)(C)C)CC1 1760555185 ZJBYPGQMPBESDJ-HXUWFJFHSA-N 475.615 2.312 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCCN(c2ncccc2F)CC1 1760555897 QDGPSLURIQWCCN-IBGZPJMESA-N 478.594 2.371 30 10 JEEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1760560570 YRNUUXUCIHLJMH-QGZVFWFLSA-N 484.692 2.036 30 10 JEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1nc(O)c2sccc2n1 1760566420 TUDPNOOBHXKVCO-ZDUSSCGKSA-N 480.641 2.446 30 10 JEEE CC(C)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCO[C@H]2C)[C@@H](C)C1=O 1761120719 DDYQJDRIQJHXPQ-LLJLJFOGSA-N 452.559 2.050 30 10 JEEE CN1CC[C@@](O)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC([C@](C)(O)C(F)(F)F)CC2)C1 1767509809 HMXPKEXSTNHRBH-VXKWHMMOSA-N 478.519 2.413 30 10 JEEE CCCCCCCCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCCNS(C)(=O)=O 1860929870 MEDCRARZVBRQCN-FQEVSTJZSA-N 455.621 2.226 30 10 JEEE C=CCOc1ccccc1[C@@H]1C(C(=O)N[C@@H]2CCCC[C@H]2C)=C(N)Oc2c1c(=O)n(C)c(=O)n2C 1865722700 YAXNTZQAJWZFIN-SZVBFZGTSA-N 480.565 2.038 30 10 JEEE C[C@@H](NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(=O)N1CCN(c2ccccn2)CC1 1868782519 JTUHJCMWNZZBSX-UYAOXDASSA-N 466.611 2.273 30 10 JEEE COc1cc(OC)c(OC)cc1/C=N/n1c(COc2ccccc2OC)nnc1SCC(N)=O 1874289668 QETPSCKLFZFZFJ-BHGWPJFGSA-N 487.538 2.351 30 10 JEEE COC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1cc(OC)c(OC)cc1OC 1874335946 AXLFXGVWSWGUPG-GQLBNTDBSA-N 491.570 2.176 30 10 JEEE CC(=O)N1CCCc2cc(S(=O)(=O)N3CCC(COc4nccnc4C#N)CC3)ccc21 1891951091 BTSZFMGPWWYHBH-UHFFFAOYSA-N 455.540 2.127 30 10 JEEE CS(=O)(=O)N1CCC(CNC(=O)C2CCN(c3oc(-c4cccs4)nc3C#N)CC2)CC1 1892044070 RVPYNVNZGKMWDX-UHFFFAOYSA-N 477.612 2.279 30 10 JEEE C=C(Br)CS(=O)(=O)N1CCN([C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 2226061892 MDUHDNXOQOZDJS-HUUCEWRRSA-N 452.415 2.288 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H](O)CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)s1 2247822560 GJLULYQUPHXTOI-NSHDSACASA-N 460.789 2.316 30 10 JEEE CON(CCNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(=O)OC(C)(C)C 2247896115 XEQRHRJBMHPZEV-UHFFFAOYSA-N 462.399 2.124 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@H](C(=O)NCc2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2256611837 AIMHKJQBZRNMAF-INIZCTEOSA-N 452.382 2.299 30 10 JEEE C[C@@H]1CC[C@@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)N(C(=O)OC(C)(C)C)C1 2256623069 PGHNKKVGWWCBHZ-OLZOCXBDSA-N 452.386 2.233 30 10 JEEE C[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 2256626850 OUABVSVLDWSEMR-CHWSQXEVSA-N 452.386 2.233 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCO[C@@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C1 2256736377 SVGTWRKIVXNFPQ-QWHCGFSZSA-N 453.370 2.453 30 10 JEEE CN(CC[S@](C)(=O)=NC(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2266992864 DRMWUQUYSUMLIJ-YTTGMZPUSA-N 467.397 2.486 30 10 JEEE CCc1nn(C)c(C(=O)NCCN(CC)C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267134326 NYJOBCHABLKFNG-UHFFFAOYSA-N 450.389 2.269 30 10 JEEE CC[C@@H](CN(CC)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1)NC(=O)OC(C)(C)C 2267137995 RKLTVBKHQSUWFI-HNNXBMFYSA-N 450.389 2.485 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1CN2S(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2267373719 HNFGUUZQPPZPGB-JKSUJKDBSA-N 464.393 2.368 30 10 JEEE CO[C@@H]1C[C@H](C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)N(C(=O)OC(C)(C)C)C1 2268643694 JHFYFLZECITPER-UKRRQHHQSA-N 467.397 2.083 30 10 JEEE Cc1csc(CNC(=O)[C@@H]2C[C@H](O)CN2C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2268644645 MEEMMTONGYTUKZ-GJZGRUSLSA-N 466.409 2.342 30 10 JEEE Cn1ncc(C(=O)N[C@@H]2C[C@@H]3C[C@@H](NC(=O)OC(C)(C)C)[C@@H]3C2)c1B1OC(C)(C)C(C)(C)O1 2281812452 SUYCFPJSVISDKB-KCYZZUKISA-N 460.384 2.141 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H]2CN(S(=O)(=O)c3cncc(B4OC(C)(C)C(C)(C)O4)c3)C[C@H]21 2282353024 SHUJQHYDHSACJL-CRAIPNDOSA-N 479.408 2.011 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C1 2282488012 ACCUWJWCMNKUBV-INIZCTEOSA-N 482.408 2.282 30 10 JEEE CC(C)(C)OC(=O)NCCCONS(=O)(=O)c1c(F)cc(F)cc1B1OC(C)(C)C(C)(C)O1 2282498390 CQGVYGOUSLOSDA-UHFFFAOYSA-N 492.350 2.389 30 10 JEEE CC(C)(C)OC(=O)N[C@]12CC[C@@H]1CN(S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1)C2 2282501449 XDQSTAQYOWGYBI-SZNDQCEHSA-N 499.464 2.261 30 10 JEEE Cc1c(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2F)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282542363 IGUDACRYBMLMSA-LSDHHAIUSA-N 466.363 2.105 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)C1 2282569689 VDVBFPQNSPMCIA-JKSUJKDBSA-N 462.400 2.485 30 10 JEEE CC(C)[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2282614712 UGWRLMFYNPXQTL-QGZVFWFLSA-N 462.400 2.437 30 10 JEEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2282624513 MOGWGTIKJOGZJP-HZPDHXFCSA-N 462.400 2.342 30 10 JEEE C[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2282629423 VPYKPIGQUXVNIZ-JKSUJKDBSA-N 462.400 2.485 30 10 JEEE Cc1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N(C)C[C@H](O)CNC(=O)OC(C)(C)C 2285927312 YKHLSKQDIPONGA-OAHLLOKOSA-N 466.359 2.391 30 10 JEEE CN(CC1(O)CN(C(=O)OC(C)(C)C)C1)C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2287306298 OWPLRIXSJCOBBM-UHFFFAOYSA-N 481.786 2.088 30 10 JEEE COc1cc(C=NNc2cnn([C@@H]3CCS(=O)(=O)C3)c(=O)c2Cl)cc(Cl)c1OC 2322614708 VOPIDRDYGXDZOP-LLVKDONJSA-N 461.327 2.373 30 10 JEEE COc1cc(Br)cc(C=Nn2c(SCCO)nnc2[C@@H]2CC(=O)N(C(C)C)C2)c1O 2329056166 BXQQBOSFPRXGIE-CYBMUJFWSA-N 498.403 2.446 30 10 JEEE CO[C@H](CNC(=O)OC(C)(C)C)CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(C)c1 2365425283 XBBQIOCXPMYWCZ-MRXNPFEDSA-N 484.424 2.112 30 10 JEEE CS(=O)(=O)C1(C#C[C@@H](NN)c2ccc(Br)cc2I)CC1 2367857167 YPVGGUWATCFQTK-GFCCVEGCSA-N 469.142 2.139 30 10 JEEE Cc1cc(CNCC2(C(N)=O)CN(C(=O)OC(C)(C)C)C2)cc(B2OC(C)(C)C(C)(C)O2)c1 2369685347 DQWMTEDDKCHKCX-UHFFFAOYSA-N 459.396 2.106 30 10 JEEE COc1cc(OC)c(OC)cc1/C=C1/Oc2c(ccc(O)c2CN2CCN(CCO)CC2)C1=O 33535629 BFUGOXWPPVJJDV-YDZHTSKRSA-N 470.522 2.144 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)COC(=O)c2ccc(-n3cnnn3)cc2Cl)nc1C 586273058 JAAMYLQHGWGIPV-UHFFFAOYSA-N 462.875 2.219 30 10 JEEE C[C@@]1(c2cccc(C#N)c2)NC(=O)N(CN2CCN(C(=O)COc3ccc(Cl)cc3)CC2)C1=O 725771386 UPBLAPLIECHAPA-DEOSSOPVSA-N 481.940 2.159 30 10 JEEE COCCn1cc(C=NNc2nnc(SCC(=O)Nc3ccc(Cl)cc3Cl)n2N)cn1 1084261490 KVVNWRUSKTZGRX-UHFFFAOYSA-N 484.373 2.318 30 10 JEEE N#Cc1ncccc1SCC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 1166182626 GZLKXAKKTCFMHP-UHFFFAOYSA-N 454.936 2.371 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1CC1(CCOC)CCCC1)[C@@H]1CCS(=O)(=O)C1 1286398677 MKDLKUJVTPIVEY-RTBURBONSA-N 450.605 2.353 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccc(C(=O)N(CC)CC)cc2)CC1 1286485707 VMYIJCXFNRHZCX-JOCHJYFZSA-N 450.587 2.415 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2CCCn2cc(Br)cn2)CC1 1286486355 LSHWLAAEFOQTOA-UHFFFAOYSA-N 462.396 2.417 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(Cc2c(F)cccc2F)n1CCCNS(=O)(=O)CC 1286523666 BYLWLVUMASTOQU-OAQYLSRUSA-N 451.543 2.469 30 10 JEEE C=CCC(C)(C)Cn1c(N2CCN(c3ncccc3C(N)=O)CC2)nnc1[C@@]1(OCC)CCOC1 1286676149 IGKKQLHJELLOKH-RUZDIDTESA-N 483.617 2.353 30 10 JEEE C=CCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1286708952 JMZWHHYFUYGWNV-XMMPIXPASA-N 463.542 2.224 30 10 JEEE C=CCN(CCOC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1Cc1nncn1C 1286773909 VLHSBBDYISDHSR-UHFFFAOYSA-N 460.583 2.208 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCCN(C(C)C)CC1 1286786802 IVFYKZIHMUZYHI-UHFFFAOYSA-N 492.628 2.459 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCNS(=O)(=O)CC)C1 1286802629 VHSNYHBEAXATDE-HNNXBMFYSA-N 457.959 2.458 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccn3)n2Cc2ccccc2S(=O)(=O)N(C)C)C1 1286806269 ZLMNCNDPKDZODG-LJQANCHMSA-N 468.583 2.420 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CC[C@](C)(C(=O)NC)C1 1286819456 LGVCXAUSLIGUTF-QHCPKHFHSA-N 484.582 2.163 30 10 JEEE CC(C)CN1CCO[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(CC(N)=O)CC2)C1 1287785608 GGHBORKSKXLJLS-QFIPXVFZSA-N 465.602 2.265 30 10 JEEE CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](CC)OC)CC1 1291832047 FOMRLXCUPFTXAB-GHTZIAJQSA-N 453.591 2.278 30 10 JEEE CCN(CC)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1295529699 GKEUTCYKGZIBJJ-UHFFFAOYSA-N 459.620 2.020 30 10 JEEE CCNC(=O)C(C)(C)Cn1c(COCC)nnc1N1CCN(c2oc(C3CC3)nc2C#N)CC1 1296251002 HWCGZYIFMWNNNS-UHFFFAOYSA-N 470.578 2.041 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCN1S(C)(=O)=O 1300327998 GRRZJKLMYMAZDD-KURKYZTESA-N 480.635 2.232 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H](c1ccc(C)cc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1300496712 UHCDXCMRQSWICG-XPWALMASSA-N 485.654 2.410 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CCc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1300498155 HTXAINZYTOZCFL-NRFANRHFSA-N 453.543 2.272 30 10 JEEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1CCc1nccnc1C)[C@H]1CCS(=O)(=O)C1 1300504902 VOQBQAODUWWVBW-NRFANRHFSA-N 494.621 2.442 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H]2CCCN2CC)CC1 1300685545 QESABJGPEADUKU-GOSISDBHSA-N 460.424 2.286 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CCN2CCC(C)CC2)CC1 1300689034 PEHVBFWVUCABLM-UHFFFAOYSA-N 482.629 2.458 30 10 JEEE C=C(C)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1300950563 GMOUOKMSFFGNIN-ROUUACIJSA-N 482.651 2.487 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](c2ccc(F)cc2)O[C@H](C)C1 1300952215 OCRPXPXVEPBYTR-AHRSYUTCSA-N 479.578 2.293 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(c2ccccc2CO)CC1 1301043705 BXEKYUMXQIPEPR-FQEVSTJZSA-N 496.033 2.240 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1301489883 FXMMVHPKUVBJKI-GOSISDBHSA-N 485.976 2.320 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2CCN(CC(F)(F)F)CC2)C1 1301558850 ZURCZBNPHWVDCX-QZTJIDSGSA-N 491.580 2.236 30 10 JEEE CCC[C@@](C)(O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccccc2C#N)CC1 1306521195 GOFLIOBOPVSCHQ-XMMPIXPASA-N 451.575 2.263 30 10 JEEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CCOC1 1314138283 DDWKIJKBWRTDBY-XLNZFTOWSA-N 490.605 2.306 30 10 JEEE CS(=O)(=O)c1cccc(-c2nnc(N3CCC(C#N)CC3)n2CC2(S(C)(=O)=O)CCCC2)c1 1316334982 CXSNPRFEWRYYOW-UHFFFAOYSA-N 491.639 2.446 30 10 JEEE N#C[C@]1(F)CCN(c2nnc(COc3ccc(Cl)cc3)n2CCNC(=O)c2cc[nH]n2)C1 1316530075 DHBSVKIOOFRFOA-HXUWFJFHSA-N 458.885 2.106 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1Cc1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 1358956841 LKPMEGLOLMFPRF-KNQAVFIVSA-N 479.002 2.259 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCO[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1358959894 RNSPNUPIHRZLTC-QFUCXCTJSA-N 453.568 2.259 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CCOc2ccc3c(c2)OCO3)CC1 1359041385 VELRJTNXGSEENE-UHFFFAOYSA-N 453.543 2.349 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc4cccnc34)n2CCOCCN(C)C)CC1 1359043383 RVBDCXFSABTFHK-UHFFFAOYSA-N 475.597 2.037 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCc2ncc(CC)s2)CC1 1359047990 ANLSUMAQSGMCIV-RXVVDRJESA-N 486.642 2.230 30 10 JEEE C#CCSCCn1c(-c2ccccc2F)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1359053350 KMWZZRJPBWDWTC-GCJKJVERSA-N 470.618 2.439 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2cn3ccccc3n2)nnc1N(CC)CCS(C)(=O)=O 1359100648 DUFVCGGDJJKRSP-XMSQKQJNSA-N 472.615 2.369 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1359295243 VOABFEQRBAHWOF-HNNXBMFYSA-N 465.645 2.447 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC[C@@H](C)C1 1359335061 YYUZHYKIYZGLMC-JOCHJYFZSA-N 486.686 2.480 30 10 JEEE C[C@H](CC#N)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1(CS(C)(=O)=O)CC1 1360475590 BXDAXJGICPUSKF-QGZVFWFLSA-N 472.619 2.015 30 10 JEEE CN(Cc1cscn1)c1nnc(COc2ccc(C#N)cc2)n1CC1(C(N)=O)CCOCC1 1503512184 GWOHMKUFFCHRKQ-UHFFFAOYSA-N 467.555 2.104 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCCCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1507627607 KOUCKLUCQWDYQG-LJQANCHMSA-N 456.572 2.459 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CCC1(F)CCC1)[C@@H]1CCS(=O)(=O)C1 1507629169 ZWDWVEWPQOIHNY-GCJKJVERSA-N 468.595 2.228 30 10 JEEE C#CCN(c1nnc(C2CCN(c3ncccn3)CC2)n1CCC=C(C)C)[C@H]1CCS(=O)(=O)C1 1507634546 YWXWEEKHLUOJAW-NRFANRHFSA-N 483.642 2.435 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnn(C)c3)n2Cc2ccc(F)cc2F)n1 1507715872 DMVADIQNYZISKR-UHFFFAOYSA-N 466.496 2.488 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC2(C(N)=O)CCOCC2)CC1 1507719956 GEKAFSKEWKHJEV-UHFFFAOYSA-N 464.614 2.280 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC[S@](=O)C(C)(C)C)CC1 1507722646 CUEZUGFCDCDNTK-YTTGMZPUSA-N 459.616 2.265 30 10 JEEE C=C(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1507823778 HAQSKUCCXBTAPN-UHFFFAOYSA-N 488.036 2.428 30 10 JEEE C=CCC(C)(C)Cn1c(Cc2ccccc2F)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1507917759 WEUHCKGTGDQQCJ-UHFFFAOYSA-N 496.591 2.077 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C)N2CCC[C@@H](C)C2)C1 1508121782 AEGKKHWVDNJRGT-IYWMVGAKSA-N 451.637 2.082 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC2([S@@](C)=O)CC2)C1 1508122074 CEYKECINSPIQKT-HLIGVVEJSA-N 495.646 2.279 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)ccc2C)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1508143830 ORKLEGIDNSNAMH-IBGZPJMESA-N 491.614 2.352 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1508144610 QVXOBHPVWVPDBO-GOSISDBHSA-N 499.559 2.283 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(c2ccccc2OCC)CC1 1508146631 AAIODGBCXQMDSB-OAQYLSRUSA-N 475.615 2.456 30 10 JEEE CCOc1ccc(O[C@@H](C)c2nnc(N(C)[C@H](C)CC#N)n2CC2(O)CCS(=O)(=O)CC2)cc1 1516297331 IAKBGJKYVCJWLX-MSOLQXFVSA-N 491.614 2.495 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1539037705 IGJRTALBTYAUKE-UDIDDNNKSA-N 453.587 2.361 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCc1csc(C(C)(C)C)n1)[C@H]1CCS(=O)(=O)C1 1539203528 RPZLKJGYSGAOSY-KRWDZBQOSA-N 492.671 2.040 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCC(=O)N[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1539231246 QDTVSLJNLBPGGG-ANTGDGSKSA-N 493.674 2.128 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(OCC)c1OC(F)F 1539265026 CFKTVSBJBWZJBK-QGZVFWFLSA-N 478.521 2.301 30 10 JEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H](c1cccs1)N1CCOCC1 1539272882 FZBBDIJCHTURKW-IBGZPJMESA-N 494.646 2.477 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(Br)c2)n1CCCNS(C)(=O)=O 1539307426 RXGAWWSZMWGPPR-UHFFFAOYSA-N 494.415 2.118 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC[S@@](=O)CC 1539315137 FNYFTFBSPBQZFV-XIFFEERXSA-N 464.595 2.467 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2nc(C)c(C)s2)CC1 1539488728 NZTSYYPEALENQX-UHFFFAOYSA-N 497.650 2.357 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2CCn2cc(C)cn2)CC1 1539489219 SJKJVAVDBCQNHF-UHFFFAOYSA-N 465.533 2.167 30 10 JEEE C#CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)[C@H](C)CS(=O)(=O)CC 1539505807 DRDDSRXPIPMGHC-OAHLLOKOSA-N 450.586 2.300 30 10 JEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1539758168 IBBQKVPYCAZFMB-UHFFFAOYSA-N 465.480 2.365 30 10 JEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCC(Oc2cncc(Cl)n2)CC1 1539758722 RZSBMIHCOUUFNB-UHFFFAOYSA-N 475.981 2.484 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1540863014 NQILJTACCRLWKI-RTWAWAEBSA-N 499.635 2.464 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](C(=O)N[C@H](C)CCC)C1 1540869771 WDQVKELEYRUDIQ-IEBWSBKVSA-N 453.591 2.472 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1540902815 REFXDMHYYJXTLH-UHFFFAOYSA-N 458.563 2.484 30 10 JEEE C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCO[C@@H](C#N)C2)n1CC1(S(C)(=O)=O)CC1 1541975984 DQLPYOOUSVSRTD-YOEHRIQHSA-N 465.963 2.377 30 10 JEEE COCCC(=O)N1C[C@@H](C(N)=O)[C@H](C2CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)C1 1548382359 PNWSWMLKOWPDJG-ZWKOTPCHSA-N 452.477 2.390 30 10 JEEE CN(C)[C@]1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(S(C)(=O)=O)CC2)CCSC1 1552794825 FPARWIADWSLEHF-QFIPXVFZSA-N 474.656 2.267 30 10 JEEE COc1ccccc1SCc1nnc(N2CC[C@](F)(C#N)C2)n1CCNC(=O)c1cc[nH]n1 1555113939 ADQCTSFMNLSSMS-NRFANRHFSA-N 470.534 2.174 30 10 JEEE C=CCNS(=O)(=O)c1cccc(C(=O)N(C)CCN2CCN(Cc3ccccc3)CC2)c1 1568890611 VUCZJRBSASSZAK-UHFFFAOYSA-N 456.612 2.041 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1cnc(C)s1)[C@H]1CCS(=O)(=O)C1 1588034496 HFLITLHUSXPAMV-KRWDZBQOSA-N 472.552 2.293 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H](OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1588035570 VJFPQNLDTNKRFS-DOTOQJQBSA-N 482.404 2.087 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CCCNC(=O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1588040458 NIGGSKNUIPUYRV-OAQYLSRUSA-N 471.627 2.297 30 10 JEEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1CCN(C(C)C)C(C)C)[C@H]1CCS(=O)(=O)C1 1588064890 QQYIAROUDGEZNF-QFIPXVFZSA-N 497.669 2.262 30 10 JEEE C#CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H](CC)OC)[C@@H]1CCS(=O)(=O)C1 1588073957 GKLLPZBNEFVPIE-FCGDIQPGSA-N 495.646 2.101 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CC(F)(F)CO1 1588138296 BZJKSQGSJWCZIR-DLBZAZTESA-N 465.501 2.084 30 10 JEEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1CCOC[C@@H]1OC 1588276043 GIQBUVUGDXCLLV-MSOLQXFVSA-N 460.604 2.058 30 10 JEEE C#CCSCCn1c(-c2cccnc2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1589047755 IFSVRIRCYWUPIJ-UHFFFAOYSA-N 451.556 2.402 30 10 JEEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)Cc2cccc(OC)c2)CC1 1589068362 ASICIOHLHJRDSN-HXUWFJFHSA-N 469.611 2.048 30 10 JEEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)NCc2ccccc2)CC1 1589482842 MHLXIXHSVYWTGR-LJQANCHMSA-N 489.418 2.477 30 10 JEEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1594626243 KSZFIOWWJGWTDT-VQTJNVASSA-N 477.635 2.314 30 10 JEEE C=CCCCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1594646086 UKDRQKZYNBFXKB-AUSIDOKSSA-N 468.650 2.485 30 10 JEEE C=CCCCn1c(CSc2ccccc2OC)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1594767167 OTXZPCIJTINDGC-UHFFFAOYSA-N 484.626 2.472 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCC[C@H](C(=O)NC)C1 1595506825 NQFTYLZLKHMHEJ-ZDUSSCGKSA-N 479.354 2.111 30 10 JEEE CC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1)OC 1613623415 AIRTZQJFJWJFJF-DNQXCXABSA-N 481.645 2.473 30 10 JEEE CCC[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1614342677 BORDHLJKSSCNSV-ATIYNZHBSA-N 481.645 2.496 30 10 JEEE CCC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(C(N)=O)nc2)CCN1CCOC 1614442282 DXJMJVFNHFYQFU-QFIPXVFZSA-N 488.596 2.296 30 10 JEEE CO[C@@H](C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1618930300 BJDNANPIAAXSGQ-INIZCTEOSA-N 464.505 2.298 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](C)N1CCOCC1 1649538403 CTMFWWYKNQZDKM-SFHVURJKSA-N 461.636 2.361 30 10 JEEE C#CCNS(=O)(=O)N1CCN(C(=O)c2nc(-c3cccc(C(F)(F)F)c3)cs2)CC1 1650848891 MPXRFEVIESUJFH-UHFFFAOYSA-N 458.487 2.054 30 10 JEEE C#CCN(C(=O)NC[C@@H](C(=O)OCc1ccccc1)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1680235637 ZDCLCPQRVOSQAJ-FCHUYYIVSA-N 454.548 2.346 30 10 JEEE C#CCCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1689885433 IOEJRVFKLHMAMS-OAQYLSRUSA-N 467.599 2.452 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2C[C@H]2NC(=O)CC2(C)C)CC1 1690119922 YGKWUEPQUHYZQG-JOCHJYFZSA-N 480.613 2.412 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCc2cccc(C(=O)N(C)C)c2)CC1 1690146820 XWUMWOAAZQTCCZ-HSZRJFAPSA-N 492.624 2.430 30 10 JEEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1690163372 CKXRMFYUAMJMJK-KRWDZBQOSA-N 476.050 2.397 30 10 JEEE C=CCCOCCn1c([C@H]2COc3ccccc3O2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1690508474 JSDLUJQDJUBFOQ-YLJYHZDGSA-N 462.572 2.397 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCNC(=O)[C@H]1CC 1690676342 WYYWWWAHHYPMNE-LJQANCHMSA-N 454.575 2.172 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1C[C@](O)(c1ccccc1)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1705569478 HOAFAZOGFHLZSY-RXVVDRJESA-N 482.528 2.307 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@H]1CCCN1CCCO 1705581138 XXXAFMKHSUBJGE-OAQYLSRUSA-N 487.608 2.156 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)s3)n2CC2(O)CCOCC2)CC1 1705635816 MCPYIKPMFBCPFX-UHFFFAOYSA-N 466.405 2.066 30 10 JEEE C#CCSCCn1c(CC(C)(C)C)nnc1N1CCN(c2cc(N3CCOCC3)ncn2)CC1 1705661532 DICFKJAUJZDZFG-UHFFFAOYSA-N 484.674 2.186 30 10 JEEE C#CCSCCn1c(Cc2ccsc2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1705664350 ZLQZRYGINYDODQ-SFHVURJKSA-N 467.686 2.405 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(OCC(=O)N(C)C)c1 1705716988 ACIBNPSXKDZWCD-IBGZPJMESA-N 475.615 2.098 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccc(C(=O)NCCC)c2)C1 1705924293 BUTHCUWXQZRUFD-LEWJYISDSA-N 487.626 2.150 30 10 JEEE CCc1cnc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCCN(S(C)(=O)=O)CC2)s1 1708968469 IBAACKLZSACIBX-UHFFFAOYSA-N 471.612 2.356 30 10 JEEE C#CCCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCN(C(=O)COC)CC1 1722314658 BUDZSTHGYNDQFW-UHFFFAOYSA-N 491.596 2.164 30 10 JEEE C#CCCCn1c(N2CCO[C@@H](Cn3nc(C)cc3C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1722341149 ULWUUAYNQDHWKP-ZJSXRUAMSA-N 456.591 2.451 30 10 JEEE C#CCN(c1nnc(C2CCC2)n1C[C@H](CC)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1722369321 XOGFPASSKNYDKK-ZWKOTPCHSA-N 465.620 2.476 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCNC(=O)c1occc1C 1722380486 NOEHARDYYBEPNL-UHFFFAOYSA-N 497.559 2.469 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCO3)n2CC2CN(C(=O)OC(C)(C)C)C2)n1 1722428997 FHBJGRAGHKQKPT-OAQYLSRUSA-N 499.616 2.479 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCSC(C)C)CC1 1722443531 KVHGJQDZUDOQCI-UHFFFAOYSA-N 489.667 2.456 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1722557766 ZZHBAVPSRNVTFX-LLVKDONJSA-N 450.874 2.168 30 10 JEEE C=C(Cl)Cn1c(N2CCN([C@@H](C)C(=O)NC3CCCC3)CC2)nnc1[C@]1(OCC)CCOC1 1722558530 QETJECDGAYVQQS-MBSDFSHPSA-N 481.041 2.252 30 10 JEEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C(=O)N2CCCC2)CC1 1722620616 POSNUFKABHXXMQ-UHFFFAOYSA-N 467.574 2.357 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC2(CCCCC2)O1 1722681069 GBGCWYTUXMAOSU-UXHICEINSA-N 497.662 2.132 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CC[C@H](N2CCCC2=O)C1 1722694171 NALYVVTUMYJVRZ-KRWDZBQOSA-N 473.375 2.211 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CC[C@@H](OCC=C)C1 1722697675 PADWNNNGBXCJPS-GOSISDBHSA-N 477.569 2.319 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN2CCOC[C@@H]2C1 1722723980 JYCUPUVLRDDOOA-SFTDATJTSA-N 489.642 2.157 30 10 JEEE C#CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1740565639 ZFCCLVJDTPRANC-UHFFFAOYSA-N 477.613 2.351 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCc1ccc(F)c(F)c1F)[C@@H]1CCS(=O)(=O)C1 1740626115 JPNWHPJKCDGFHN-IAGOWNOFSA-N 482.528 2.459 30 10 JEEE C#CCN(CC#CC)c1nnc(COc2ccc(Cl)cc2)n1CCN/C(O)=C1\N=CC=CC1=O 1740659267 SIZDUPWIVPTALO-GHVJWSGMSA-N 478.940 2.500 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCN2CCOC(C)(C)C2)CC1 1740691169 WKRWSGFUWJSKPZ-FQEVSTJZSA-N 470.593 2.423 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@]2(O)CCCC2(C)C)CC1 1740698132 SZNVDQOYBAQULM-DEOSSOPVSA-N 471.627 2.045 30 10 JEEE C=C(C)COCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC(=O)N(C)[C@H](C)C1 1740787726 IIQFIOUAFRERQS-MRXNPFEDSA-N 459.547 2.231 30 10 JEEE C=CCC(C)(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1740847471 JKMZJTQOSDWEQQ-INIZCTEOSA-N 470.599 2.418 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1740853334 BIGIBKJHTZEKKN-ICSRJNTNSA-N 483.617 2.425 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@]1(O)CCN(C)C1 1740914898 NBUZNDRTYKYLNS-IZZNHLLZSA-N 480.613 2.450 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCOC2(CCCC2)C1 1740959776 DWFNKFCIBZUIFC-SFHVURJKSA-N 490.605 2.038 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)ccc2C)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1740993530 DOMXTAZNLKTMLY-YKSBVNFPSA-N 490.626 2.459 30 10 JEEE CCOCc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CCN1CCOCC1(C)C 1747186998 DVAMYJUBJXYBOV-UHFFFAOYSA-N 471.581 2.263 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1C[C@@](C)(O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1748804535 ISNMSYZHAFTCNU-OXQOHEQNSA-N 498.447 2.080 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1CCCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1748821664 SCEONQKQNXMZOF-JOCHJYFZSA-N 466.611 2.285 30 10 JEEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H]1CN(Cc2ccccc2)CCO1 1748830393 VLUMKDAAOSWXKS-SHQCIBLASA-N 477.609 2.293 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H]1CCCCS1(=O)=O 1748948828 XRIOCCUXJQYOCI-HXUWFJFHSA-N 473.599 2.201 30 10 JEEE C#CCN(CCOC)c1nnc(Cc2cccnc2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1748965351 QFVUVWZKBPXRDC-FQEVSTJZSA-N 461.570 2.018 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H]2CCCO[C@@H]2C(C)C)CC1 1749008893 ISNSQFAVHVNNFT-PZJWPPBQSA-N 453.591 2.096 30 10 JEEE C#CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(S(C)(=O)=O)CC1 1749038868 XXZXWUWFFCZWCK-LJQANCHMSA-N 462.597 2.170 30 10 JEEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1749232829 UTVHEVHLRCBVRA-ZJSXRUAMSA-N 481.645 2.236 30 10 JEEE C=C(C)COCCn1c(N2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)nnc1[C@]1(OCC)CCOC1 1749239504 LZLYYRZWHJOPON-CSGUBPAMSA-N 450.580 2.296 30 10 JEEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1749415091 NVQKFONJXKXCGE-KRWDZBQOSA-N 452.602 2.328 30 10 JEEE C=CCN(c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](COC)OC)C1CC1 1749518902 ANHMGIRXWNPVLX-ROUUACIJSA-N 451.568 2.403 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@H](C(F)(F)F)C1 1749652771 SBOMOUHVCWPEKX-ZDUSSCGKSA-N 477.285 2.116 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1749658392 OYTMACLPGLRWGI-UHFFFAOYSA-N 485.898 2.191 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCN(Cc2csc(C)n2)CC1 1749722049 ZWPVUOOMOAYRFX-INIZCTEOSA-N 452.650 2.480 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCCN(C(=O)c2ccccc2)CC1 1749731489 FNHXJCUUVNLTID-NRFANRHFSA-N 487.626 2.125 30 10 JEEE C[C@H]1CN(C(C)(C)Cn2c(-c3cccc(C#N)c3)nnc2N2CC(=O)N(C)C[C@H]2C)C[C@@H](C)O1 1752269201 GGGFNDXHJXRQBU-QRVBRYPASA-N 465.602 2.371 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCCO3)n2C[C@]2(OC)CCOC2)c1 1760128486 JNFSFNROMLXUIJ-HYBUGGRVSA-N 453.543 2.381 30 10 JEEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1C[C@@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1760179717 XQQUVZPWEVZOEY-YHDCXSKOSA-N 475.590 2.096 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1760181681 ZRSQGPJVTVSPKF-ZIFCJYIRSA-N 463.579 2.134 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H]2CCCSC2)CC1 1760265784 JFPCSRUKQPUEQO-NTKDMRAZSA-N 475.659 2.428 30 10 JEEE C#CCSCCn1c(N2CCN(CC(F)(F)F)[C@@H](C)C2)nnc1[C@@]1(OCC)CCOC1 1760286819 WDMMEEPVOFPXPT-QFBILLFUSA-N 461.554 2.369 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1CCc1ccc(S(C)(=O)=O)cc1 1760297451 UKPHHFSQJAZASD-HSZRJFAPSA-N 455.584 2.039 30 10 JEEE C=C(Br)Cn1c(N2C[C@H](C)[C@@H](N3CCOCC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1760314048 IFHQVVMJAJLNPI-DJPFJPOOSA-N 484.439 2.384 30 10 JEEE C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1760365588 CKFBIOVBRNUUIV-LJQANCHMSA-N 480.960 2.027 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cnn(C)c2)n1CCN1CCN(C(C)=O)CC1 1760477967 PZOHIJDLZREYET-UHFFFAOYSA-N 478.601 2.044 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1nc2c(s1)CCCC2 1760495235 IFJWEXPLVYGZEY-SFHVURJKSA-N 492.671 2.367 30 10 JEEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](Nc2cc(OC)cc(OC)c2)C1 1760506777 MMNHBYMTKORPOT-HZPDHXFCSA-N 464.592 2.172 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC(C(=O)NC)CC1 1760548327 DKABVSFHXPUWKM-MRXNPFEDSA-N 479.578 2.120 30 10 JEEE C[C@@H]1OCC[C@@]12CN(c1nnc(-c3cccc(C#N)c3)n1CCS(=O)(=O)C(C)(C)C)CCO2 1763278989 HMZHHUKYUPARDO-GAJHUEQPSA-N 473.599 2.414 30 10 JEEE CSc1cc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(NS(C)(=O)=O)CC2)ccn1 1771421884 CNCSQZTZIDQRHQ-UHFFFAOYSA-N 483.623 2.500 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc3cccnc23)nnc1N1CCN(CC(C)C)C(=O)C1 1772660335 COGDJMBLJAHSBU-UHFFFAOYSA-N 482.610 2.399 30 10 JEEE COc1cc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2CCNC(C)=O)cc(Cl)c1O 1862565787 GMWCFKFHPISWPP-SFHVURJKSA-N 459.886 2.351 30 10 JEEE CC(=O)Nc1cccc(NC(=O)[C@H](CO)NC(=O)C2CCN([C@H](C#N)c3cccs3)CC2)c1 1866866694 JLDNMAIDJUPQEG-VQTJNVASSA-N 469.567 2.099 30 10 JEEE CCCCCCCCN=c1nc(N(CCO)CCO)[nH]c(=Nc2ccc(CC)c([N+](=O)[O-])c2)[nH]1 1871619404 LHMIDUQKJBIUIR-UHFFFAOYSA-N 475.594 2.493 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)COc2nonc2CC(=O)N(C)Cc2ccccc2)nc1C 1872636813 HCTGRQQLHDHDPE-UHFFFAOYSA-N 485.522 2.396 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)COc2nonc2CC(=O)NCCCCCC)nc1C 1872649460 ZJRRQBMMYJGODI-UHFFFAOYSA-N 465.532 2.434 30 10 JEEE CCCN(CCC)C(=O)COc1ccc(/C=N/n2c(CCOC)nnc2SCCO)cc1OC 1874474867 WQPYCMWVJDOOBH-LFVJCYFKSA-N 493.630 2.470 30 10 JEEE Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CCC(=O)N1CCC(CN(C)c2ncccc2C#N)CC1 1891251882 CKUSWHIFXFJBQL-JOCHJYFZSA-N 498.653 2.434 30 10 JEEE CC1=C(B2OC(C)(C)C(C)(C)O2)CCN(S(=O)(=O)CCN2C(=O)c3ccccc3C2=O)C1 1992008748 FCDBZKVFEOZBCK-UHFFFAOYSA-N 460.361 2.266 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](Cc1ncns1)C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 2060779144 HWVITJLZVXDHEG-ROUUACIJSA-N 456.572 2.210 30 10 JEEE N#Cc1ccc(C(=O)Nc2c(I)ncnc2I)nc1 2121024711 GJBDJBPJYXXGOA-UHFFFAOYSA-N 477.003 2.205 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CO)CNC(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2255640076 JASWKWRYXFODGO-ZDUSSCGKSA-N 454.760 2.255 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2255753154 PRQWMXDGRNQCSM-MRXNPFEDSA-N 452.382 2.274 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1S(=O)(=O)N[C@@H]1C[C@H]1NC(=O)OC(C)(C)C 2255933530 PKLFQUPPEHGBOV-HZPDHXFCSA-N 452.382 2.238 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2Cl)[C@H](O)C1 2267007965 BBHCBMGRNUQRII-JKSUJKDBSA-N 466.771 2.349 30 10 JEEE Cc1c(C(=O)N[C@@H](C)C(C)(C)NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267517411 SPQIPJVMRPQPBV-AWEZNQCLSA-N 450.389 2.449 30 10 JEEE Cc1nn(C)c(C(=O)N=[S@](C)(=O)C[C@@H](C)NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2281985602 KXGARUAWTXPJKJ-AADXJYSNSA-N 484.428 2.179 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@]2(NC(=O)c3ncc(B4OC(C)(C)C(C)(C)O4)cn3)CCC[C@H]12 2282025500 PMPYFSHXOIKUJC-QMHKHESXSA-N 458.368 2.438 30 10 JEEE C[C@H](NC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)C1CCN(C(=O)OC(C)(C)C)CC1 2282034135 DCUYJVAKUPCDOH-HNNXBMFYSA-N 462.400 2.485 30 10 JEEE Cc1c(B2OC(C)(C)C(C)(C)O2)cccc1C(=O)NC1(C(=O)O)CN(C(=O)OC(C)(C)C)C1 2282118839 KBTSKSVXWSOGIP-UHFFFAOYSA-N 460.336 2.098 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)[C@@H]2COC[C@H]21 2282182327 QSQNFYAKFOETQK-RTBURBONSA-N 458.364 2.446 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)c1nc(NC(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)n[nH]1 2282185005 ALXJJYDSEWEBTE-LBPRGKRZSA-N 458.328 2.337 30 10 JEEE CC(C)(C)OC(=O)NCC1(F)CC(NS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282302383 LLKUWULUBQVRMZ-UHFFFAOYSA-N 485.387 2.055 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(C(=O)OC(C)(C)C)CC(F)(F)C1 2282535216 LGKBTFHTBOPXER-UHFFFAOYSA-N 470.326 2.048 30 10 JEEE CCn1cc(C(=O)N2[C@H]3CC[C@H]2CN(C(=O)OC(C)(C)C)C3)nc1B1OC(C)(C)C(C)(C)O1 2282536081 XTAHXBRIUJBXGX-HOTGVXAUSA-N 460.384 2.426 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CCCC23CN(C(=O)OC(C)(C)C)C3)n1 2282540100 DXZIXXQZOWYPCA-MRXNPFEDSA-N 460.384 2.239 30 10 JEEE Cn1cc(C(=O)NCC2(F)CC(CNC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2282548413 XPXFKVSCHRCLPB-UHFFFAOYSA-N 466.363 2.092 30 10 JEEE Cc1nn(C)c(C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)c1B1OC(C)(C)C(C)(C)O1 2282558192 GODACUIMEBVKED-GOEBONIOSA-N 462.400 2.403 30 10 JEEE Cn1nc(C(=O)N[C@@H]2C[C@@H]3C[C@H](NC(=O)OC(C)(C)C)[C@@H]3C2)cc1B1OC(C)(C)C(C)(C)O1 2282616230 YPMRFRAWKBNPTP-FPCVCCKLSA-N 460.384 2.141 30 10 JEEE CC(C)(C)OC(=O)N1CC([C@H]2CCN(C(=O)c3ncc(B4OC(C)(C)C(C)(C)O4)cn3)C2)C1 2282625720 ZEBNDVMKAVNGHU-HNNXBMFYSA-N 458.368 2.105 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]2[C@H]1CNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282832427 OVLJFRJDXISWET-SQWLQELKSA-N 499.464 2.117 30 10 JEEE COc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1B1OC(C)(C)C(C)(C)O1 2282878342 DXPOSLPCXRSNHE-UHFFFAOYSA-N 482.408 2.236 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2O)CCO1 2282884641 QSRQTYNQMQTCLW-MRXNPFEDSA-N 462.352 2.057 30 10 JEEE CC1(C)OB(c2cnc(C(=O)N[C@H](COCc3ccccc3)CC(=O)O)c(F)c2)OC1(C)C 2284453287 OOYPGCLLYRXRFX-KRWDZBQOSA-N 458.295 2.310 30 10 JEEE CN(C[C@]1(O)CCCN(C(=O)c2occc2B2OC(C)(C)C(C)(C)O2)C1)C(=O)OC(C)(C)C 2286339257 NZQJZZYAPONUTB-HSZRJFAPSA-N 464.368 2.413 30 10 JEEE Cc1c(C=C2SC(=S)N(CCC(=O)O)C2=O)c(N2CCC[C@H](C)C2)n(C)c(=O)c1C#N 2314457348 GBIWTJNUYAHNMH-LBPRGKRZSA-N 460.581 2.478 30 10 JEEE CC(C)(C)OC(=O)N[C@@]1([C@@H](O)C#CC2(S(C)(=O)=O)CCC2)CCN(Cc2ccccc2)C1 2319389003 UGJUFUUGJJSQTM-RDPSFJRHSA-N 462.612 2.487 30 10 JEEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@@H](CCO)COCc3ccccc3)s2)OC1(C)C 2320504742 YNTMNNZCYVWQNW-KRWDZBQOSA-N 467.418 2.293 30 10 JEEE CCN(CC)C(=O)CSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1N=Cc1ccc(O)cc1O 2328988618 OFTNYYLEPOTURU-INIZCTEOSA-N 474.587 2.256 30 10 JEEE CC(C)N1C[C@H](c2nnc(SCC(=O)Nc3nccs3)n2N=Cc2ccc[nH]2)CC1=O 2329020408 XIAFDZJHBUGZNQ-CYBMUJFWSA-N 458.573 2.400 30 10 JEEE COc1[nH]c(=NC[C@]2(O)CCCN(Cc3ccccc3)C2)ccc1B1OC(C)(C)C(C)(C)O1 2365344610 PYCCEBBKDXVQGK-RUZDIDTESA-N 453.392 2.250 30 10 JEEE Cc1nn(C)c(C(=O)N[C@@]23CC[C@@H](C2)N(C(=O)OC(C)(C)C)C3)c1B1OC(C)(C)C(C)(C)O1 2369672224 JRGWHRBJOIZUNT-WNSKOXEYSA-N 460.384 2.300 30 10 JEEE COc1ccc(C=c2sc(=C(C#N)c3nnc4n3CCCCC4)n(-c3ccccc3)c2=O)cc1O 254387329 LUYOWZQMLZWPOU-UHFFFAOYSA-N 485.569 2.482 30 10 JEEE COc1ccc(CCNC(=O)C[S@](=O)CC(=O)Nc2sc3c(c2C#N)CCC3)cc1OC 586304839 YSEQOGDIXRVXKB-YTTGMZPUSA-N 475.592 2.172 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)N2CSC[C@H]2C(=O)N(C)Cc2ccco2)ccc1F 728519809 STULEEOAOFEOGD-KRWDZBQOSA-N 467.544 2.057 30 10 JEEE N#Cc1cc(S(=O)(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)ccc1F 728585682 YMEUAYFWVUHUPA-UHFFFAOYSA-N 470.505 2.432 30 10 JEEE C=CCN(CC(=O)O)C(=O)Cn1cc(CNC(=O)OCC2c3ccccc3-c3ccccc32)nn1 757329349 DYMJFUJKRODNOY-UHFFFAOYSA-N 475.505 2.416 30 10 JEEE Cc1ccc(-c2nc(C(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)cs2)n1C 1136149233 BVFGXSLUGZIJFC-UHFFFAOYSA-N 455.565 2.475 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)ccc3C)n2CCc2ccn(C)n2)CC1 1286492114 HRRXQYBFGCSWRG-UHFFFAOYSA-N 475.597 2.416 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2nc(C)cs2)CC1 1286548503 SUXGMWHLSXMQFV-ZWKOTPCHSA-N 459.620 2.489 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1286549747 GVIQCKDTIRTQCV-LADGPHEKSA-N 477.613 2.445 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1286566111 MBYFIIRGCYWNIS-JTSKRJEESA-N 470.574 2.338 30 10 JEEE C=CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CCS(=O)(=O)C(C)(C)C 1286768057 PBOBTOKAOZEMHY-UHFFFAOYSA-N 474.587 2.446 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCCN(C(C)(C)C)CC1 1286791562 WHMVGCKZPNZLSE-FQEVSTJZSA-N 454.575 2.403 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1286791716 AESGFWQXYLSOBF-CJNGLKHVSA-N 495.367 2.401 30 10 JEEE C=CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1286831284 XINUURMHNYPJFR-OAHLLOKOSA-N 467.617 2.329 30 10 JEEE C=CCSCCn1c(CC(C)(C)C)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1286831290 CFXRBKMHIPQISO-SFHVURJKSA-N 471.693 2.417 30 10 JEEE C[C@H]1CCCN1CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1291136678 BLVDCPXTNDASPZ-PZJWPPBQSA-N 485.658 2.409 30 10 JEEE CCS(=O)(=O)N(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](C(C)C)C1 1297729521 HMVGSYWNTIYSIM-FQEVSTJZSA-N 460.604 2.350 30 10 JEEE C#CCCCCn1c(N2CCN(Cc3c(C)nn(C)c3C)CC2)nnc1[C@]1(OCC)CCOC1 1300377002 QEDJKKQGMAIXJY-VWLOTQADSA-N 469.634 2.406 30 10 JEEE C#CCN(c1nnc(C2CC2)n1CCc1cc(C(F)(F)F)ccn1)[C@@H]1CCS(=O)(=O)C1 1300493933 XGHXTHRNDDOESA-QGZVFWFLSA-N 453.490 2.439 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H](C)c1nc(C)cs1)[C@@H]1CCS(=O)(=O)C1 1300495973 LZDWGBIRHAVURT-KBAYOESNSA-N 463.629 2.367 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1=CCCOC1)[C@H]1CCS(=O)(=O)C1 1300503136 ASSFTNRFTPABKY-XUVXKRRUSA-N 462.616 2.170 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccccc2OC)n1C[C@]1(N2CCOCC2)CCSC1 1300526988 SJTFCYFEAKSWOE-XMMPIXPASA-N 451.596 2.234 30 10 JEEE C#CCN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@]1(C)CN(C2CC2)C1=O 1300597833 VNGGWYUGFPJIDB-QHCPKHFHSA-N 454.962 2.332 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCOC[C@H]1OC 1300658192 YTHZZBHUALQHPV-WMLDXEAASA-N 452.353 2.173 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2CC2(S(C)(=O)=O)CCCC2)CC1 1300719267 UKVLTUUYWWQTCW-UHFFFAOYSA-N 499.637 2.277 30 10 JEEE C=C(Cn1c(C)nnc1N1C[C@@H]2[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)CS2(=O)=O)c1ccccc1 1301003275 ILZZWTPDFASMHV-HSALFYBXSA-N 473.599 2.426 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCN(CC)CCC(F)(F)F)CC1 1301086736 OGMZKJFLCHOHLG-KRWDZBQOSA-N 494.584 2.042 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC=CO1 1301339267 KOBBJZAMALAQPY-YADHBBJMSA-N 498.609 2.368 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCOC2)n1CC1(O)CCS(=O)(=O)CC1 1301351380 RGGKWUXSZCCXFK-GOSISDBHSA-N 464.563 2.053 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN([C@H](C)c2ccsc2)CC1 1301478032 GXYGKFBYZCSQSN-QGZVFWFLSA-N 480.598 2.172 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CCC(C(=O)OC)CC1 1301485552 XZWXMWCIFOYMRS-UHFFFAOYSA-N 468.377 2.461 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1301492237 BNMYNLUYUHPZQY-INIZCTEOSA-N 459.982 2.427 30 10 JEEE C=CCO[C@@H]1CCN(CC(=O)Nc2ccc(OCC)c(S(=O)(=O)N3CCCCC3)c2)C1 1307607080 YBQMBOOUTNYSFJ-LJQANCHMSA-N 451.589 2.475 30 10 JEEE COC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1)OC 1315797146 FILNSPYOXFHWNK-FQEVSTJZSA-N 473.599 2.416 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1CC1C[C@H](C)O[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1358965051 MZGMQRVTLSXPAL-TWOQFEAHSA-N 477.656 2.464 30 10 JEEE C#CCN(CC#CC)c1nnc(Cc2cccnc2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1358995874 JFIIAJDUYKZSMS-OAQYLSRUSA-N 455.570 2.228 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCN(CC)C(=O)OC(C)(C)C)CC1 1359047620 NGBKIOXMLJSATH-LJQANCHMSA-N 474.606 2.352 30 10 JEEE C#CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)CCCS(C)(=O)=O 1359058193 VFCOXULPSADZRP-SFHVURJKSA-N 450.586 2.028 30 10 JEEE C=C(Cl)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1359143347 YREZGJAMACNAFK-OAHLLOKOSA-N 451.915 2.384 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1359188406 MXJXRMQDDBTGKO-CEXWTWQISA-N 453.653 2.328 30 10 JEEE C=CCCOCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1359224202 JMTWHRUXCNZDKT-KRWDZBQOSA-N 456.547 2.111 30 10 JEEE C=CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1359284474 QVGOAPIJRFEZBG-XLIONFOSSA-N 484.601 2.146 30 10 JEEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@H](NC(=O)CCC)C1 1359284564 XSCARCLWLANBAQ-SFHVURJKSA-N 460.604 2.267 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](c2ccc(F)cc2F)C1 1359292635 UNEDRZDNOBQGCZ-SFHVURJKSA-N 483.479 2.084 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1359304646 DXKBAJBILOXILM-SFHVURJKSA-N 484.601 2.299 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCN(C(=O)c2ccc(C)cc2)CC1 1359333545 AZNKGFNBCFLBEO-UHFFFAOYSA-N 494.621 2.136 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1359336300 LBOKNNGWIZHEKK-IAGOWNOFSA-N 469.608 2.176 30 10 JEEE C=C(C)CN1CCC(NC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c2ccc(Cl)cc2)CC1 1443522883 WSYFGFKEOLFEMA-LJQANCHMSA-N 456.008 2.030 30 10 JEEE COc1ncc(NC(=O)CNC(=O)[C@H]2c3ccccc3C(=O)N2Cc2ccccc2)cc1C#N 1455604391 FADHRXTVLOGEAD-JOCHJYFZSA-N 455.474 2.414 30 10 JEEE N#Cc1c(F)cccc1N1CCN(C(=O)N[C@@H]2CC(=O)N(CCOc3ccccc3)C2)CC1 1468983257 DFEYORSWZOHRDF-GOSISDBHSA-N 451.502 2.209 30 10 JEEE Cc1noc(C)c1Cn1c(-c2cccc(C#N)c2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1493050065 CZTABGRDYNNVQE-UHFFFAOYSA-N 469.571 2.330 30 10 JEEE CCN(c1nnc(-c2ccc(C#N)cc2)n1CCNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1501550051 FIRLEZVQZYMMSV-SFHVURJKSA-N 474.587 2.355 30 10 JEEE COc1ccccc1Cc1nnc(N2CCO[C@H](C#N)C2)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1504409646 DXJWCDIRVSXHBR-SFHLNBCPSA-N 468.602 2.494 30 10 JEEE CO[C@@H]1COCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1504520224 BTNATWOFQPFCGP-BAGYTPMASA-N 452.559 2.173 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1ccc(C)n(C)c1=O 1507518454 LUBHKARPLNEMDL-HNNXBMFYSA-N 467.599 2.060 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H](C(C)C)N1CCOCC1 1507522987 ZTBMHLJANJBWGD-RXVVDRJESA-N 459.616 2.163 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1ccccc1OC)C1CC1 1507589445 XEBIUGWVAFIXNP-NRFANRHFSA-N 473.599 2.202 30 10 JEEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1cccc(C(=O)NCC)c1)[C@@H]1CCS(=O)(=O)C1 1507621780 CIFXZQOVIMAOIH-FXAWDEMLSA-N 457.600 2.216 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](C)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1507626255 DXMQBZWNFQTUMJ-WIYYLYMNSA-N 454.600 2.174 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@@](C)(OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1507628111 NEXVOJXZBRCTMA-DYESRHJHSA-N 463.991 2.435 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCS(=O)(=O)CC=C 1507650586 OENQPBGQIWBCAQ-IBGZPJMESA-N 475.615 2.066 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCc2ccccc21 1507671315 IXJRMQWBXBGOJM-JTHBVZDNSA-N 481.622 2.194 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(C(=O)N3CCCC3)n2Cc2cc(F)ccc2F)n1 1507714573 RMHFVYHCZNYOKX-UHFFFAOYSA-N 483.523 2.323 30 10 JEEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1507755371 DUTJOQJUMXYQCE-GOSISDBHSA-N 480.685 2.005 30 10 JEEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@](O)(c2ccc(F)cc2)C1 1507778266 CTDNPPAZWGWNHT-FZKQIMNGSA-N 488.383 2.034 30 10 JEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1507953215 FFSBDHNOBQFZKZ-MSOLQXFVSA-N 498.650 2.023 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1508075376 XSEMDQWXHDAHOQ-ZBFHGGJFSA-N 463.629 2.057 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1508077254 XWRZVJQZBLGAEF-RDTXWAMCSA-N 471.493 2.129 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](c2noc(C(C)C)n2)C1 1508139461 AALFLVBEMGNPLY-IAGOWNOFSA-N 464.592 2.273 30 10 JEEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CCC(=O)N1CCCCC1 1510110985 GHWAIKKMXIIXAK-KRWDZBQOSA-N 458.588 2.089 30 10 JEEE Cc1cccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCNS(=O)(=O)c2ccc(C)s2)n1 1511106690 DZPVCZNXNIMIGH-FQEVSTJZSA-N 475.575 2.439 30 10 JEEE COCCN(C)CCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCO[C@H](C#N)C1 1519107836 AOMXSAVGFBQYIE-LJQANCHMSA-N 451.531 2.297 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)CC)n2C[C@H]2CCN(S(C)(=O)=O)C2)c1 1539037569 HFKSVLZDSWBYIK-MJGOQNOKSA-N 472.615 2.129 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc2cnccc2c1 1539126141 SWUOHHHMTXWHHI-OAQYLSRUSA-N 468.583 2.209 30 10 JEEE C#CCCCn1c(Cc2ccccn2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1539127806 QCBKPXRTLPMUOW-SZPZYZBQSA-N 463.630 2.304 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CC(=O)N(C)C)CC1 1539468295 COHUNHDZLNFMGC-IBGZPJMESA-N 466.586 2.089 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCn1cc(Br)cn1 1539556912 JZODQJGIWMOAIP-HNAYVOBHSA-N 481.420 2.222 30 10 JEEE C=C(Br)Cn1c([C@H]2COc3ccccc3O2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1539599526 GYSGOCWHGINMMZ-CKEIUWERSA-N 479.331 2.059 30 10 JEEE C=C(Br)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1539606717 OGTZCJOTEIJZHS-GOSISDBHSA-N 481.376 2.209 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCSC(F)(F)F)CC1 1539847475 GEFHDQDEKSZGJB-ZDUSSCGKSA-N 455.528 2.020 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCOC(C)(C)C1 1540134249 UTXNEIIHMCRTQL-NRFANRHFSA-N 473.643 2.484 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1([S@](C)=O)CCC1 1540187150 LRXKIEQUVYUMSK-ZOKDDAQRSA-N 466.629 2.310 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1540866979 HDGLKHCYDXXJGB-CXAGYDPISA-N 469.464 2.421 30 10 JEEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2ccc(C)cc2)CC1 1540909609 LKTJRIVICJFJIH-GOSISDBHSA-N 492.671 2.078 30 10 JEEE Cc1cc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(CCC#N)CC2CC2)ccc1F 1542208637 FOKRFXZTTMTJAX-FQEVSTJZSA-N 476.578 2.237 30 10 JEEE C[C@H]1CN(c2ccc(Cn3c(C(=O)Nc4ccccn4)nnc3N(C)[C@@H](C)CC#N)cn2)CCO1 1544582100 GALKFEKKESAXNE-ROUUACIJSA-N 475.557 2.332 30 10 JEEE C#CCCN1CCN(C(=O)c2ccc(OS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)cc2)CC1 1544680323 LSIKAIQJHOOSGG-UHFFFAOYSA-N 457.508 2.452 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1ccccc1)N(CC)CC 1587641083 XDQLIWMWFJMRAD-NNWRFLSQSA-N 488.658 2.152 30 10 JEEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1587782932 DZNWGSQMHCUDPU-UHFFFAOYSA-N 463.590 2.377 30 10 JEEE C#CCCCCn1c(COc2ccc(OC)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1587786947 CYFSXIFYKBAPNI-HXUWFJFHSA-N 466.542 2.142 30 10 JEEE C#CCN(c1nnc(-c2ccccc2)n1CC1CCN(C(=O)OC)CC1)[C@@H]1CCS(=O)(=O)C1 1588046171 YUZRIOITEZUOPG-HXUWFJFHSA-N 471.583 2.050 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H](C)Oc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1588053956 JFTKJVSDQRUFOW-ZCNNSNEGSA-N 458.584 2.185 30 10 JEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1(SC)CCN(C)CC1 1588139082 LFTPQCKARPDCKT-UHFFFAOYSA-N 478.670 2.352 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCCOCC2CC2)CC1 1588837408 SZPYZIRCUJHAGG-NRFANRHFSA-N 488.633 2.158 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCCCCN2CCCCC2)CC1 1588884595 GLOWGULNQJAOED-UHFFFAOYSA-N 483.661 2.136 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@]2(O)CCSC2)CC1 1588961712 JSVNLMMWPNRJSO-RUZDIDTESA-N 483.638 2.308 30 10 JEEE C#CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(CCOC)C(=O)C1 1589026690 IFFOWNDLDNRGCG-UHFFFAOYSA-N 463.991 2.269 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1589482208 HMSKQOFFFLJBGN-IRLDBZIGSA-N 484.649 2.070 30 10 JEEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 1593806479 BRKHRAPKZINYBR-CQSZACIVSA-N 472.974 2.115 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2(OC)CCC(C)CC2)CC1 1594097754 YCCGZIKUJSSKSG-IMYXXEESSA-N 467.636 2.363 30 10 JEEE C=CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1CC1CN(C(=O)OC(C)(C)C)C1 1595266372 DRTYNFTYSZQJGM-UHFFFAOYSA-N 471.562 2.431 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@@H]([C@H]3CCCO3)C2)cc1 1595607233 BTGYLQINNUHCHJ-NHCUHLMSSA-N 455.559 2.414 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1595805182 LSXBQGNNYOLORY-FQEVSTJZSA-N 475.018 2.300 30 10 JEEE CCCN(Cc1nc(O)c2sccc2n1)C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 1623838586 AUPIGQXRDDSLBG-CYBMUJFWSA-N 459.553 2.374 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@H]2CSCCS2)c1 1689868804 QUVHAQACMRLXLO-SFHVURJKSA-N 472.640 2.321 30 10 JEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1nc(O)c2sccc2n1 1689892510 HJIJGMONMOZKQB-AWEZNQCLSA-N 460.585 2.330 30 10 JEEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@H]1CCCN(C(C)=O)C1 1689961400 WKWNSQRYVYTRSZ-LJQANCHMSA-N 461.570 2.393 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1C[C@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1689982313 KPDJDEYOULVEOX-IIBYNOLFSA-N 468.526 2.334 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1689986897 ZGAUSBIUZPISNA-QZTJIDSGSA-N 488.614 2.222 30 10 JEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1Cc1ccc(C)cc1O[C@H]1CCOC1 1690052196 COWHDYNSKSBSIP-QFIPXVFZSA-N 461.566 2.388 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1CCN1c2ccccc2C[C@H]1C 1690092570 NAOIIOVYHNZLJM-LJQANCHMSA-N 459.554 2.463 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(OC)c(OC)c2OC)CC1 1690124762 SYFGUGCEVWWESC-LJQANCHMSA-N 455.559 2.001 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CCNC(=O)c2cccc(C)c2)CC1 1690142533 PVFIUHAZGUQXEC-UHFFFAOYSA-N 471.565 2.044 30 10 JEEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2cc(C)ccc2OC)CC1 1690288374 VMWKRYKVCITABU-LJQANCHMSA-N 459.616 2.396 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C(C)C)C1 1690432469 DUWIAZLRWLQNHO-ROUUACIJSA-N 455.625 2.075 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2cccc(O)c2)CC1 1690665516 GVTUILISVHKLEM-UHFFFAOYSA-N 453.934 2.328 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1690713965 ANFJSWBSWYFCTO-QGZVFWFLSA-N 476.603 2.310 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F 1690726658 HVWNXBAIALOBMX-UHFFFAOYSA-N 483.520 2.253 30 10 JEEE CC[C@]1(C)CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CC(=O)N(CCOC)C2)CCO1 1694454305 ACXKKELOVWIBOL-YADARESESA-N 452.559 2.317 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCC(C)CC2)nc1 1705495191 LUSXHHCOIRPEGH-UYAOXDASSA-N 456.616 2.318 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CCc2c(C)noc2C)c1 1705504707 CTIBBOXHOITMCS-FQEVSTJZSA-N 461.526 2.133 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCc1nccs1)[C@@H]1CCS(=O)(=O)C1 1705563275 UKYYOIBLCLBWDZ-GOSISDBHSA-N 452.565 2.143 30 10 JEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1CCOCC(F)F)[C@H]1CCS(=O)(=O)C1 1705569273 AJRGZHSETJIZON-KRWDZBQOSA-N 472.945 2.431 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1705622955 ATVNAVQORZPBKV-LJQANCHMSA-N 462.476 2.166 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H](c2ccsc2)N(C)C)CC1 1705644013 WZHZTWHNSZGZGX-JBACZVJFSA-N 458.632 2.122 30 10 JEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccc(Cn3cccn3)c2)CC1 1705762980 MQYQMQNCKTWIAI-GOSISDBHSA-N 455.588 2.338 30 10 JEEE C=CC[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ncccn2)CC1)c1ccccc1 1705795299 GZLFXOHIZQPZGO-FPOVZHCZSA-N 496.641 2.365 30 10 JEEE C=CCCOCCn1c(-c2cc(Br)cn2C)nnc1N1CC(=O)N(C)C[C@@H]1C 1705826693 GMOMRCMLQFWJTD-AWEZNQCLSA-N 451.369 2.306 30 10 JEEE C=CCN(CC=C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1ccc(C)n(C)c1=O 1705873775 VBMTZEZUASCLNE-UHFFFAOYSA-N 457.538 2.426 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1 1705880026 ROFRCRZFNYWHNR-OAQYLSRUSA-N 471.583 2.487 30 10 JEEE C=CCn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1705888802 UQICOTTUCOMSGW-UHFFFAOYSA-N 496.612 2.063 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@H](c2nccs2)C1 1705898566 PYCCOYGKIMNUNN-SFHVURJKSA-N 470.555 2.299 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2nccnc2C)CC1 1705910980 ULQOJTQCFBDHMD-UHFFFAOYSA-N 476.585 2.454 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCN(c2nc(C)cc(OCC)n2)CC1 1705933230 YOPQJTPNFNCXPP-UHFFFAOYSA-N 497.625 2.370 30 10 JEEE CC(=O)N[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ncnn2C(C)(C)C)C1 1706026294 BMAKVVODBFUZIM-LJQANCHMSA-N 477.573 2.228 30 10 JEEE CC(C)C(=O)NCCN(C)c1nnc(-c2cccc(C#N)c2)n1CCCN1CCCCC1=O 1706234052 BFHOBISILLZLLB-UHFFFAOYSA-N 451.575 2.428 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CSCCS1 1722380528 OUILTRSLIGESLF-MRXNPFEDSA-N 450.593 2.113 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc(Cl)cc3F)n2C[C@@]2(O)CCOC2)n1 1722427640 MJRGXEDUCASKAP-QHCPKHFHSA-N 488.951 2.372 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(OCC)c(OC)c2)CC1 1722440858 LGIDSTOSWBOUPQ-UHFFFAOYSA-N 494.621 2.480 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC2(OC)CCCC2)CC1 1722443272 FXYTZROZIVNCRG-VWLOTQADSA-N 473.618 2.244 30 10 JEEE C#CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)Cc1cnn(C)c1 1722457531 FQMWSJLRMXNIBH-UHFFFAOYSA-N 462.583 2.411 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCCCO2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1722536889 IOQFDJJARYAKGB-IBGZPJMESA-N 455.625 2.363 30 10 JEEE C=CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 1722687836 MWTKVOUNPBCOKD-WIYYLYMNSA-N 454.623 2.143 30 10 JEEE C=CCNC(=O)Cn1c(N2CCO[C@@H](c3ccccc3Cl)C2)nnc1[C@@]1(OCC)CCOC1 1722703771 HKYGPEHGDLAFBO-AUSIDOKSSA-N 475.977 2.464 30 10 JEEE CCN(CCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(C#N)CC1)S(C)(=O)=O 1728492420 GUKYIEAQIVWBJH-UHFFFAOYSA-N 484.424 2.447 30 10 JEEE CCS(=O)(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCOC[C@@H]2C)CC1 1729216128 GOAUAMXNLRQSJA-FXAWDEMLSA-N 472.615 2.397 30 10 JEEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN(Cc2cc(OC)cc(OC)c2)CC1 1740594604 SINVQTNJECJHCA-UHFFFAOYSA-N 466.586 2.153 30 10 JEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1ccc(C(F)(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 1740616284 XSTUCUNBVVMIDN-GOSISDBHSA-N 495.527 2.208 30 10 JEEE C#CCN(c1nnc(C2CCCC2)n1C[C@H]1CCN(CC(F)(F)F)C1)[C@@H]1CCS(=O)(=O)C1 1740622694 GYZKGQAEELITJR-FUHWJXTLSA-N 473.565 2.447 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@]1(C)CCCO1)[C@@H]1CCS(=O)(=O)C1 1740628955 XECXSJDUICSITQ-FZONSQQESA-N 464.632 2.393 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2cccnc2OCC(F)(F)F)CC1 1740707635 KEAKEMPCUVFAOE-UHFFFAOYSA-N 480.491 2.165 30 10 JEEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1740716229 VELHEXGNKGEJRT-GOSISDBHSA-N 462.645 2.123 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](c1cccc(F)c1)N(C)C 1740726169 YSPWLFJUNOFNFI-DKZVUGQWSA-N 462.595 2.322 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@H](C)C1 1740752916 CMKHNUQDRDIZTQ-LMNJBCLMSA-N 475.615 2.402 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1740955384 SQYXUMQYZAFVOX-KRWDZBQOSA-N 471.558 2.039 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCN(CCN2[C@@H](C)CC[C@@H]2C)CC1 1740956678 XUSKDCODWCFHFP-PMACEKPBSA-N 469.609 2.381 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1740962196 VQSIHKHIRMEKQM-QZTJIDSGSA-N 469.590 2.306 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCC(=O)NC)C1 1740981756 XAACDJRTUFIBRT-ZWKOTPCHSA-N 462.595 2.310 30 10 JEEE C=CCS(=O)(=O)CCn1c(CSc2ccc(C)cc2)nnc1N1CC[C@@H](C(=O)OC)C1 1740993554 FGQDPDZPRQQZQO-QGZVFWFLSA-N 464.613 2.479 30 10 JEEE C=CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1740999740 FQKAVXIRLDRKSX-INIZCTEOSA-N 483.598 2.388 30 10 JEEE CC(=O)NCC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCCS2(=O)=O)CC1 1741098313 FCCHRRHPAAAQRN-OAQYLSRUSA-N 470.599 2.137 30 10 JEEE C[C@@H]([C@@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1CC1([S@@](C)=O)CCC1)S(C)(=O)=O 1741136629 BCTFRTQFUZLPLN-OXVFITQMSA-N 463.629 2.376 30 10 JEEE C[C@H]1CN(CCCn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](CC(N)=O)C2)CCCO1 1743335512 DGODLNNZXGRMPL-PZJWPPBQSA-N 465.602 2.409 30 10 JEEE CC[C@@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2cc(C#N)ccn2)CC1)OC 1744166325 HFNMDCROSKZCFX-SFHVURJKSA-N 480.598 2.288 30 10 JEEE C#CCN(c1nnc(C(C)C)n1Cc1cn(C)nc1-c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1748802704 RJVUDHDKLHFEAS-HXUWFJFHSA-N 452.584 2.477 30 10 JEEE C#CCN(c1nnc(-c2ccccc2F)n1CC1([S@](C)=O)CCC1)[C@@H]1CCS(=O)(=O)C1 1748809847 PWJVIQKRXCTTRX-JTBPQFFMSA-N 464.588 2.012 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCc1ccccc1OC)[C@@H]1CCS(=O)(=O)C1 1748822135 YSZWQRINIYZUIG-OAQYLSRUSA-N 482.610 2.018 30 10 JEEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1748994462 IKQFMAPCLNNGCJ-QHCPKHFHSA-N 464.614 2.488 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CCc2nnc(C)s2)CC1 1749016377 CLXIWGFCAMIDAL-UHFFFAOYSA-N 467.574 2.376 30 10 JEEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1749026843 REEGUGMWCMRPII-QGZVFWFLSA-N 460.991 2.188 30 10 JEEE C=C(Br)Cn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1749101727 FUSLMTKNONFTIP-HNNXBMFYSA-N 462.348 2.359 30 10 JEEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1749271440 VJHPCYDFSIHTBF-SJORKVTESA-N 496.012 2.379 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2ccc(C(=O)NCC(N)=O)cc2)CC1 1749341653 LJWLMQBMRBUWSK-FQEVSTJZSA-N 452.559 2.186 30 10 JEEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cc(F)ccc2F)CC1 1749745008 SZSXAQKPKKZLLW-HNNXBMFYSA-N 486.614 2.412 30 10 JEEE C#CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(NC(C)=O)CC1 1760139022 OZWXMCFIMVABLF-FQEVSTJZSA-N 474.606 2.495 30 10 JEEE C#CCCCCn1c(N2CCN(S(C)(=O)=O)[C@@H](C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1760143453 HCVNYTXWPMFLBY-GBESFXJTSA-N 494.662 2.322 30 10 JEEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1CCc1ccc(S(C)(=O)=O)cc1 1760211487 INLTWRSYUXYSAR-DEOSSOPVSA-N 470.595 2.039 30 10 JEEE C#CCN1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CCCOC(C)C)CC1 1760255230 WKGKTQQPNHAGFY-UHFFFAOYSA-N 473.647 2.117 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CCCn2ccnn2)CC1 1760256615 QDVMYEXVHTUWNS-UHFFFAOYSA-N 464.574 2.178 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CCS(=O)(=O)C(C)(C)C)CC1 1760269904 GHLSIBKHORVWDJ-UHFFFAOYSA-N 489.617 2.187 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CCNc2nccc(C(F)(F)F)n2)CC1 1760270321 OXNGRWDXLWIFTE-UHFFFAOYSA-N 478.523 2.363 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(N2CCCC2=O)CC1 1760342679 JPDCDOFUYIEAEY-UHFFFAOYSA-N 472.615 2.363 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2C)CC1 1760358081 RDGFLKXSFQQZPG-FQEVSTJZSA-N 459.616 2.408 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CCCOC2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1760375148 GHNWJJZNYGVHLH-QZTJIDSGSA-N 451.015 2.494 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCS(=O)(=O)c2ccccc2)CC1 1760402313 JYTSGMBPSZGWSZ-LJQANCHMSA-N 478.640 2.447 30 10 JEEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)c2ccsc2)CC1 1760449655 QEBMZYIIAKDRHP-SFHVURJKSA-N 458.588 2.282 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1760552414 MTPSUALYVAIWBS-IIBYNOLFSA-N 450.536 2.069 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCOCC2(CC2)C1 1760558361 NAGXELFVPPQEGA-QZTJIDSGSA-N 452.621 2.414 30 10 JEEE CCN1CCN(C[C@@H](C)Cn2c(Cc3ccccc3F)nnc2N2CCO[C@@H](C#N)C2)CC1 1765556628 DUHUJNUONXWUHM-CTNGQTDRSA-N 455.582 2.010 30 10 JEEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1862635942 VQRJWHDYXXSXKL-BIBXISHDSA-N 484.417 2.054 30 10 JEEE CCC[C@@H](NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(=O)N1CCC(C(N)=O)CC1 1868795027 HYSZPTBDMZVBIH-RTBURBONSA-N 459.616 2.034 30 10 JEEE CC(=O)N1CCN(Cc2cc(=O)c(OCc3ccc(C#N)cc3)cn2CCCn2ccnc2)CC1 1870350673 QMNFSDLHIXYIRS-UHFFFAOYSA-N 474.565 2.250 30 10 JEEE C=CCn1c(C(=O)N2CCN(c3ccccc3F)CC2)cc2c(NCCNC(C)=O)ncnc21 1875230920 SOHBUMGMVWBWFZ-UHFFFAOYSA-N 465.533 2.267 30 10 JEEE C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC1(O)C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 2068519036 CEXZYZIDAIXGPP-XOJONBPDSA-N 451.564 2.312 30 10 JEEE CC1(C)OB(c2ccc(CCNS(=O)(=O)N3CC(OCc4ccccc4)C3)cc2)OC1(C)C 2178260578 JBUAMYWYUDOQLG-UHFFFAOYSA-N 472.416 2.264 30 10 JEEE CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2180980404 IFCIKPCASSVQDG-IBGZPJMESA-N 461.412 2.099 30 10 JEEE CC1=C(B2OC(C)(C)C(C)(C)O2)CN(C(=O)[C@H]2CN(C)C(=O)CN2C(=O)OC(C)(C)C)CC1 2201802243 SXOBLGDOSGSCNJ-QGZVFWFLSA-N 463.384 2.244 30 10 JEEE Cc1c(C(=O)N[C@@H]2CC[C@H]2NC(=O)OCc2ccccc2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2255528780 FBCXKQZLKDZMOP-QZTJIDSGSA-N 468.363 2.215 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@H](CNC(=O)c2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2255803291 MDMFYYQMWKBLAD-AWEZNQCLSA-N 452.382 2.413 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)CCO1 2255831234 RZQNMONADQELMF-HNNXBMFYSA-N 452.382 2.413 30 10 JEEE CON(C1CN(C(=O)OC(C)(C)C)C1)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2255950892 WABJVUIOCZZEIT-UHFFFAOYSA-N 474.410 2.219 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@H](C)[C@H](NC(=O)C(F)(F)F)C1 2267132913 WDCWZLIQRYLNIS-CMPLNLGQSA-N 461.315 2.280 30 10 JEEE Cc1nc(C(=O)NC[C@H]2CCCN(C(=O)C(F)(F)F)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2267167763 LDEFBAFGZCOSOS-GFCCVEGCSA-N 461.315 2.281 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@H](CCNC(=O)c2occc2B2OC(C)(C)C(C)(C)O2)C1 2267177726 RWELBCLUAAYZMB-OAHLLOKOSA-N 450.341 2.335 30 10 JEEE C[C@@H]1C[C@@H](NC(=O)C(F)(F)F)CCN1S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2267371664 DISAFJRGUZXEFN-NEPJUHHUSA-N 482.355 2.267 30 10 JEEE C[C@H]1C[C@H](NC(=O)C(F)(F)F)CCN1S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2267472176 ZCKBOOAHVIQKIN-NWDGAFQWSA-N 482.355 2.267 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CN(S(=O)(=O)Cc3ccsc3B3OC(C)(C)C(C)(C)O3)C[C@@H]21 2267472309 OFMKKIXWYLXCSS-MUJYYYPQSA-N 484.449 2.332 30 10 JEEE C[C@@H](NC(=O)[C@@]1(NC(=O)OC(C)(C)C)CCOC1)c1nscc1B1OC(C)(C)C(C)(C)O1 2268645378 UOPAVSVVORDCJP-LRTDBIEQSA-N 467.397 2.303 30 10 JEEE CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)s1 2268652444 UKCXBFGQDBVUAR-MRXNPFEDSA-N 465.425 2.215 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)C[C@]12CCOC2 2281822289 JNRUUDBRVBCSPF-HJPURHCSSA-N 462.352 2.477 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@]2(C1)C(=O)NCCN2C(=O)[C@@H]1C[C@H]1B1OC(C)(C)C(C)(C)O1 2281931839 WVUXSOUCDHDPEY-LNPFQXMTSA-N 463.384 2.197 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](C2CC(NC(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)C2)C1 2281990203 JZHLQWJKZCXSBB-QQFBHYJXSA-N 460.384 2.474 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@H](O)CN(C(=O)c2cc(F)ccc2B2OC(C)(C)C(C)(C)O2)C1 2282398898 GWLMUMJHWPZURR-HOTGVXAUSA-N 464.343 2.225 30 10 JEEE CC(C)(C)OC(=O)N1CC(CCO)(NC(=O)c2cc(F)ccc2B2OC(C)(C)C(C)(C)O2)C1 2282401069 LVSAYBBZXRTQMY-UHFFFAOYSA-N 464.343 2.227 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 2282534067 QTFYORVTAFDNBQ-VQTJNVASSA-N 450.392 2.313 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](NS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)[C@@H](F)C1 2282831117 FHZANEFJWCXHDC-DLBZAZTESA-N 485.387 2.007 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H]([S@@](C)(=O)=NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2283063032 QHYGOVICMDTSEM-LHRCYKKBSA-N 480.396 2.023 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)[C@H](C(F)(F)F)C1 2283967251 ANPPJDKJKNPYJJ-GHMZBOCLSA-N 492.329 2.243 30 10 JEEE CC1(C)OB(c2cncc(C(=O)N3CC(COCc4ccccc4)(C(=O)O)C3)c2)OC1(C)C 2284388498 BTLFFXIAYKCKMW-UHFFFAOYSA-N 452.316 2.124 30 10 JEEE Cc1ccc(S(=O)(=O)N2CCC(NC(=O)C(F)(F)F)CC2)c(B2OC(C)(C)C(C)(C)O2)c1 2286122145 WGQNEWAYWUNKOB-UHFFFAOYSA-N 476.326 2.126 30 10 JEEE Cc1nn(C)c(C(=O)N2C[C@@H]3C[C@@]3(CNC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2288261030 NTWLIJZZRPXGCA-NPMXOYFQSA-N 460.384 2.015 30 10 JEEE CC(=O)NCc1nnc(SCC(N)=O)n1N=Cc1ccc(OCc2ccc(C)cc2)cc1 2330747634 VYQUKOJSIURCPG-UHFFFAOYSA-N 452.540 2.261 30 10 JEEE COc1ccc(C=CC(=O)Nc2c(C#N)nnn2-c2ccc3c(c2)C(=O)N(C)C3=O)cc1OC 2332188635 HMCFUFOFCMYWIQ-UHFFFAOYSA-N 458.434 2.034 30 10 JEEE C=CC1(N[C@]2(C(=O)O)CO[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)CN(C(=O)OC(C)(C)C)C1 2350990358 KYTZKDFFKRKREY-PKTZIBPZSA-N 467.563 2.375 30 10 JEEE CCc1nn(C)c(C(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)OC(C)(C)C)C3)c1B1OC(C)(C)C(C)(C)O1 2359267995 NSQPIINQKZCRHG-JLJPHGGASA-N 460.384 2.019 30 10 JEEE CC(C)(C)OC(=O)N1CC2(CC[C@@H](NC(=O)c3sncc3B3OC(C)(C)C(C)(C)O3)CO2)C1 2362415561 JRFNTFVCBVWHFU-CQSZACIVSA-N 479.408 2.341 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CCOC[C@H]2OCc2ccccc2)n1C 2362439882 HZLHUXBWEJRYTR-RBUKOAKNSA-N 455.364 2.132 30 10 JEEE CCN(CC)C(=O)CSc1n[nH]c(N/N=C/c2ccc(OC)c(OCn3cccn3)c2)n1 20424386 YBZPMYRRCPEPIB-CIAFOILYSA-N 458.548 2.453 30 10 JEEE CCOc1cc(/C=N/Nc2nnc(SCC(=O)Nc3cc(OC)ccc3OC)n2N)ccc1O 21326690 PJYPFVLFKXXISM-FOKLQQMPSA-N 487.542 2.290 30 10 JEEE COCC/N=c1\scc(-c2ccc(O)c(C(N)=O)c2)n1/N=C/c1cccc(OC)c1OC 21334079 CZDWDMKYHMECBB-PLGLAXGTSA-N 456.524 2.468 30 10 JEEE CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(F)cc3C)c(=O)n2Cc2ccccc2)CC1 523465388 LWBDPXDIRPLMHZ-UHFFFAOYSA-N 490.604 2.073 30 10 JEEE C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 609437994 UNXOPTOYOZIPTA-KRWDZBQOSA-N 497.602 2.424 30 10 JEEE C[C@]1(c2cccc(C#N)c2)NC(=O)N(CN2CCN(C(=O)COc3ccc(Cl)cc3)CC2)C1=O 725771388 UPBLAPLIECHAPA-XMMPIXPASA-N 481.940 2.159 30 10 JEEE C=CCC(C)(C)CNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 1159426883 IHLLHYCVPBAFFW-UHFFFAOYSA-N 451.589 2.027 30 10 JEEE C#Cc1cccc(NC(=O)NC(=O)CSc2nc3cc(S(=O)(=O)N(C)C)ccc3o2)c1 1165230788 KXAGKGMMKSNKKX-UHFFFAOYSA-N 458.521 2.500 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1CCN(Cc2ccccc2)CC1 1286277044 AINGMSKLVFBQGB-OALUTQOASA-N 458.632 2.258 30 10 JEEE C#CCCCCn1c(COc2ccccc2OC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1286334535 KPDSFOPFQGROKW-SFHVURJKSA-N 466.542 2.142 30 10 JEEE C#CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN2CCOC[C@H]2C1 1286349935 QZBDDOXPKUPOSR-HXUWFJFHSA-N 458.607 2.327 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1286398855 RECMNNPSPNDQIK-GUDVDZBRSA-N 495.646 2.306 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCO[C@@H](C)C1 1286410518 UMOJPRWAMZCWLR-ZCNNSNEGSA-N 457.575 2.474 30 10 JEEE C#CCN(CCOC)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc2c(c1)OCCO2 1286457973 ZBYGXXKSBVCVEQ-DEOSSOPVSA-N 456.543 2.224 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCS(=O)(=O)CC2CC2)CC1 1286474313 HDUHEUZYUKKPFE-UHFFFAOYSA-N 465.982 2.318 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(CC(=O)NC)CC1 1286547313 OCOSWEDZZHPLRQ-WIYYLYMNSA-N 467.574 2.259 30 10 JEEE C=CCCOCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1286712816 LNILRAYWCDHIJL-JOCHJYFZSA-N 488.583 2.483 30 10 JEEE C=CCOc1ccccc1Cn1c(COCC)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1286797749 AOXSARMAWYUYRV-OAQYLSRUSA-N 468.602 2.171 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN(CC)C(=O)OC(C)(C)C)C1 1286809749 KVTXXFRGBJWZDE-QZTJIDSGSA-N 483.635 2.219 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2c(Cl)cccc2C1 1300411156 RDUAZWFBIYAJDX-LJQANCHMSA-N 463.991 2.241 30 10 JEEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1300422414 MWRBSWJSTQMUNY-UHFFFAOYSA-N 456.572 2.002 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@]1(N(C)C)CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1300498078 GOCCZMHOADIJKI-HOKHCIIBSA-N 484.670 2.401 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CC1(O)CCCC1)[C@@H]1CCS(=O)(=O)C1 1300499445 RXPNQIKPDLBCCG-MRXNPFEDSA-N 464.538 2.079 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCOCC(F)F)[C@H]1CCS(=O)(=O)C1 1300504049 JBUWFAUHZBUIAT-YQVWRLOYSA-N 488.601 2.495 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCC(=O)NC(C)(C)C)CC1 1300691386 WUVXMXIIAZNLAW-UHFFFAOYSA-N 454.575 2.022 30 10 JEEE C#CCSCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCN(C(=O)NC)CC1 1300756398 LHWZURJCCKRAQR-UHFFFAOYSA-N 494.625 2.064 30 10 JEEE C=C(C)COCCn1c(-c2ccccc2C)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1300983392 YFJPYUNMRWIKGD-GOSISDBHSA-N 450.547 2.378 30 10 JEEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCc1ccccc1F 1301043647 AVZIHXIUZAEVHK-QGZVFWFLSA-N 457.959 2.182 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](c2nc(CC)cs2)C1 1301567584 JXEOIOVQJDLXJK-INIZCTEOSA-N 480.660 2.420 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](C(F)F)C1 1301568306 QRAYNJOIQHEVAJ-CQSZACIVSA-N 454.503 2.008 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC(O)(c2ccccc2Cl)CC1 1301578712 GIZFERHGNTXZAE-UHFFFAOYSA-N 489.001 2.477 30 10 JEEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2C[C@H](C)O[C@H](C)C2)C[C@H]1C 1301890148 IEVFWDSQCMJPRH-VSKRKVRLSA-N 481.645 2.473 30 10 JEEE N#C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccccc2OC(F)F)CCO1 1303001676 GOALZOIETOIXST-OAHLLOKOSA-N 455.425 2.304 30 10 JEEE CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)c2ccco2)C[C@H]1C 1313941174 ADOSOQUHKDFVOE-GOSISDBHSA-N 463.542 2.282 30 10 JEEE CSc1ccc(CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@@H](C)C#N)cc1 1316418812 CUAJYRGEIIVMLV-QFBILLFUSA-N 478.644 2.171 30 10 JEEE C=CCOc1cc(OC)ccc1C(=O)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 1355299593 REWFHJAJUHLUAF-UHFFFAOYSA-N 456.524 2.283 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC[C@@H]1COCCO1 1358885823 RICRJCPYYWXEOJ-QZTJIDSGSA-N 450.543 2.328 30 10 JEEE C#CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)OC[C@@H]2C1 1358913494 OXEFCHIMWLKXIR-ROUUACIJSA-N 474.562 2.031 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CCN1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1358966444 PETBDEKQQRLRGT-JOCHJYFZSA-N 496.637 2.087 30 10 JEEE C#CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@]1(C)CCCO1 1359019162 LZVNKRLAGYSSOS-QFIPXVFZSA-N 460.604 2.202 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1cn2ccc(C)cc2n1 1359019851 IVYCXLONNANQJF-UHFFFAOYSA-N 478.578 2.439 30 10 JEEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(C)CN(C2CC2)C1=O 1359241035 CXJICQZIUVGEKQ-SBUREZEXSA-N 460.579 2.220 30 10 JEEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccnc1OCC(F)F)C1CC1 1359251519 NIRCYBJZPXUJQJ-HNNXBMFYSA-N 453.515 2.422 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1359292241 LARFQLSIVUJXKT-VQIMIIECSA-N 479.578 2.263 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 1359296350 GMEYAFFPYLKWSI-GOSISDBHSA-N 455.559 2.278 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1359305230 WYHPQZOSTXXRJZ-HNNXBMFYSA-N 494.383 2.022 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCOC[C@@H]2OC)C1 1359324223 GLBJLEDWUPYAKQ-KURKYZTESA-N 461.588 2.102 30 10 JEEE COc1ccc(CCNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)cc1OC(F)F 1442836314 GMLHDOBXAGNZOM-CYBMUJFWSA-N 453.467 2.194 30 10 JEEE CCC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCS(=O)(=O)C2)CCO1 1500282403 AGHNPFCYNBOQJD-AZUAARDMSA-N 459.572 2.169 30 10 JEEE CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nnc(C(C)(C)C)s2)CC1 1502424248 CHCHWVKJSXSOJO-UHFFFAOYSA-N 493.641 2.272 30 10 JEEE COc1cc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@](C)(C#N)C2)ccc1C 1504093331 GBMXVRZOWUNUGB-NFBKMPQASA-N 488.614 2.106 30 10 JEEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1507541811 IJJUNLCXLPVUAG-BZSNNMDCSA-N 484.605 2.074 30 10 JEEE C#CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1507592511 SFFKZIDJMZYXHI-ZWKOTPCHSA-N 465.620 2.429 30 10 JEEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCCC=C)[C@H]1CCS(=O)(=O)C1 1507627890 UIWREIQJJZJGEN-IBGZPJMESA-N 476.624 2.332 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](OC)C(C)C)[C@H]1CCS(=O)(=O)C1 1507638551 RZWNFMHAOWSGLF-ZGXWSNOMSA-N 466.648 2.494 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCCN2C[C@H](C)O[C@H](C)C2)CC1 1507719057 XSGAHVPSXJAZRL-OYRHEFFESA-N 482.629 2.217 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCN(c2ccnc(C)n2)CC1 1507808176 TYODXTXJKLGVON-DWLFOUALSA-N 471.606 2.408 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H]3CCCCO3)nnc2N2C[C@@H](O)[C@H](CC(=O)OC)C2)cc1 1508100552 LMWBCCUPRQVNPE-NRSPTQNISA-N 456.543 2.493 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC2([S@](C)=O)CC2)C1 1508122080 CEYKECINSPIQKT-SBKKAIJHSA-N 495.646 2.279 30 10 JEEE C#CCCCCn1c(-c2ccccc2OC)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1539059988 KZEMOLDGNJWHOJ-OAQYLSRUSA-N 450.587 2.500 30 10 JEEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1cc(Br)ccc1F 1539177838 BWOVFEFTPALCMB-AWEZNQCLSA-N 455.353 2.394 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1Cc1cnn(C)c1C)[C@H]1CCS(=O)(=O)C1 1539211567 IUSLGZCEKZHEHC-NRFANRHFSA-N 452.584 2.224 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H]1CCCN1CC)[C@H]1CCS(=O)(=O)C1 1539212769 SNICWZZJQSQYJT-OALUTQOASA-N 487.626 2.073 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CCc1nnc(C)s1)[C@H]1CCS(=O)(=O)C1 1539220982 XNIZBSWAYWRGCC-HNNXBMFYSA-N 492.577 2.176 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CN(CC(C)C)CCO1 1539361712 BUZNZFBIRFWRQX-IBGZPJMESA-N 463.586 2.008 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCSc1ccccc1 1539369064 GSUDDLRYAXWWNT-LJQANCHMSA-N 463.629 2.253 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCS(=O)(=O)CC1 1539623359 MBQQXCBNOSVLBX-FXAWDEMLSA-N 462.572 2.178 30 10 JEEE C=CCCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1540006356 CNRJIVCNFKHOAE-UHFFFAOYSA-N 457.604 2.248 30 10 JEEE C=CCCOCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1540020211 HWBXWSNBLOYWOL-SFHVURJKSA-N 485.614 2.398 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1540872419 PBRARSPPJWPWEH-IBGZPJMESA-N 488.564 2.040 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCN(C)c3ccccc3C2)nnc1[C@@]1(OC(C)C)CCOC1 1540908698 LUVNWSNGBMAOQP-XMMPIXPASA-N 489.642 2.376 30 10 JEEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cccnc1-n1cc(Br)cn1 1544571254 DENLIFVQLUJOHE-CYBMUJFWSA-N 453.304 2.042 30 10 JEEE N#Cc1cccc(NC(=O)C2CCN(C(=O)[C@H](CO)NC(=O)OCc3ccccc3)CC2)c1 1546185016 DIONOMNGGYWYEK-NRFANRHFSA-N 450.495 2.023 30 10 JEEE Cc1ccn(CC(=O)N2CC3(CCN(c4ccc(C#N)c(C(F)(F)F)c4)CC3)C[C@H]2C(N)=O)n1 1548379751 HPJFDVFVFFYZPJ-IBGZPJMESA-N 474.487 2.455 30 10 JEEE C#CCOc1ccc(F)cc1NC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O 1587189618 VSJQJEDFSMOSLD-INIZCTEOSA-N 458.467 2.414 30 10 JEEE C#CCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCN(CCOC)C(=O)C1 1587817944 LRQUXYSDTDWZAM-UHFFFAOYSA-N 476.375 2.425 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@](C)(O)c1ccco1)[C@@H]1CCS(=O)(=O)C1 1588039994 HFEFAZNBIGIVCE-IERDGZPVSA-N 475.958 2.121 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCc1csc(CC)n1)[C@@H]1CCS(=O)(=O)C1 1588069258 KPFHZYJTNCGWGM-LJQANCHMSA-N 487.655 2.028 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1588213922 AWHUKLDNRXAYAK-BZZOAKBMSA-N 480.532 2.120 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCOc2ccc(C)cc2)CC1 1588884969 QDQAXWJUQFYJNM-UHFFFAOYSA-N 487.564 2.279 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2CCNC(=O)OC(C)(C)C)CC1 1588907975 IZIWTZMNDFCDKM-UHFFFAOYSA-N 482.585 2.444 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1589482445 JXCSCHJGOSKOOA-IHPCNDPISA-N 457.579 2.192 30 10 JEEE C=CCC(C)(C)Cn1c(-c2ccc(CC)cc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1594472204 AJHGGLYBNZOUEZ-UHFFFAOYSA-N 463.590 2.445 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2C[C@@H]3CCC[C@H](C2)C3O)cc1 1595607457 FXYYKSGCNZVORO-NBKVCPGTSA-N 475.615 2.099 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCS[C@H](C)C1 1595789354 RFMBBSQLSQGIDY-MRXNPFEDSA-N 488.639 2.217 30 10 JEEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1595895684 OFPYOJRGSKEWGH-UHFFFAOYSA-N 456.620 2.053 30 10 JEEE CCC[C@@](C)(O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1614333559 DGLQVGHVMSNTOH-FDDCHVKYSA-N 455.538 2.118 30 10 JEEE COCCc1noc(CN(C)c2nnc(-c3cccc(C#N)c3)n2CCC(=O)NC(C)(C)C)n1 1619794400 CXHDXQBBBHBFQM-UHFFFAOYSA-N 466.546 2.330 30 10 JEEE CS(=O)(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCC(F)(F)F)CC1 1620170378 AQWJXMATUZCCTR-UHFFFAOYSA-N 472.493 2.153 30 10 JEEE Cc1c(C#N)c(NC(=O)CN2CCN(c3nnc(C)n3C)CC2)n(-c2cccc(F)c2)c1C 1620483186 GTQGQFVAQGCHPY-UHFFFAOYSA-N 450.522 2.303 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)s1 1623904638 SUBWBTIQUZQGAP-UHFFFAOYSA-N 457.599 2.080 30 10 JEEE C#CCNC(=O)C1CCN(C(=O)c2ccc3c(c2)C(=O)N(c2ccc(OCC)cc2)C3=O)CC1 1626032924 OEUOSMSQEKXSFJ-UHFFFAOYSA-N 459.502 2.488 30 10 JEEE CCOC(=O)C1([S@](C)=O)CCN(C(=O)COc2cccc(Br)c2C#N)CC1 1635779747 BIVJRIVPWCFNNA-MHZLTWQESA-N 457.346 2.002 30 10 JEEE CCOC(=O)c1c(NC(=O)N2CCN(c3ccccc3C#N)CC2)c(C#N)cn1CCOC 1660529985 FKXYAVWFPVUMEB-UHFFFAOYSA-N 450.499 2.409 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCNC(=O)Cc1cccc(F)c1 1689830477 AIJZPQRCZGBRRM-HOYKHHGWSA-N 457.550 2.275 30 10 JEEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1689915332 XZHRSVGMMZSEGR-IBGZPJMESA-N 466.405 2.475 30 10 JEEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(C(=O)N(CC)CC)CC1 1689926755 WPZRYJTXKACJNZ-UHFFFAOYSA-N 476.585 2.189 30 10 JEEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@H](C)N1CCN(CC)CC1 1689961237 PTYZOXZUOWQECU-FQEVSTJZSA-N 476.629 2.160 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1(N(C)C)CCC1)[C@@H]1CCS(=O)(=O)C1 1689998034 ABQYCSKKPCHKKI-VAMGGRTRSA-N 477.675 2.308 30 10 JEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1nccc(C(F)F)n1 1690017734 KPWVFDYBISLLMI-UHFFFAOYSA-N 463.496 2.301 30 10 JEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1Cc1cccc(CN2CCO[C@H](C)C2)c1 1690052844 RKWQXQXLSIURDZ-JOCHJYFZSA-N 474.609 2.132 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccccc2F)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1690099025 ZSXBGZSLDSWJPG-WIYYLYMNSA-N 475.590 2.374 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CC2(C(N)=O)CCOCC2)CC1 1690111813 KJRUTAIJGSYTOJ-GOSISDBHSA-N 487.004 2.109 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1csc([C@H](C)OC)n1 1690265686 SKTPDQYXDTURHM-DOTOQJQBSA-N 484.648 2.226 30 10 JEEE C=C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCCN2CCC[C@H]2C(=O)N(C)C)CC1 1690366379 YYGQNNMUVVFUTR-RDPSFJRHSA-N 460.623 2.029 30 10 JEEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1690496889 BCDNLUCAMCBEFZ-UHFFFAOYSA-N 477.573 2.252 30 10 JEEE C=CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1690536385 VHVATGPVDAFLEX-IFLXBWGOSA-N 471.562 2.197 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCOC2)n1CCC(=O)N1CCOCC1 1690560541 WDUYXRZLKKKDBT-QFIPXVFZSA-N 464.570 2.485 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cnccc1OC 1690565431 JOJRTAGPHZGLJS-QFIPXVFZSA-N 498.609 2.256 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCC[C@@H](C(N)=O)C1 1690663615 BLFQAYBDAZWDBD-QGZVFWFLSA-N 464.526 2.121 30 10 JEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1 1690675305 VZURYMJUBQUYBS-UHFFFAOYSA-N 486.621 2.326 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(CN3CCCC3=O)cc2)C1 1690684263 CBKDDPVDMUPRGB-NRFANRHFSA-N 466.586 2.368 30 10 JEEE CC(C)(C)NC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCSC2)CC1 1691215756 BJMWNJUZPCQNRX-DEOSSOPVSA-N 499.641 2.227 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCc1cn[nH]c1)[C@H]1CCS(=O)(=O)C1 1705561487 ULTATPSSFHQKBR-LPHOPBHVSA-N 472.546 2.150 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 1705562527 DUUQJFSLIHBCJJ-HKUYNNGSSA-N 477.034 2.352 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCc1cccc(OCC)c1)[C@H]1CCS(=O)(=O)C1 1705565342 HTEAKNKXOGXVPW-UXHICEINSA-N 458.584 2.050 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCOc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1705571795 IIFTVFKAIKXFES-UYAOXDASSA-N 462.547 2.365 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C2CCCCC2)N(C)C)CC1 1705632038 GGKRYUNQLAQYFN-OAQYLSRUSA-N 464.618 2.191 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2Cc2ccc(OC)nc2)CC1 1705635094 QXPYJTSWPOEPFH-UHFFFAOYSA-N 470.375 2.253 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3)n2CC2(O)CCOCC2)CC1 1705635592 CZWXVJWIPCQRKO-UHFFFAOYSA-N 460.376 2.004 30 10 JEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C)c(C)c2)CC1 1705653508 IZMUEHYKXINEHZ-IBGZPJMESA-N 476.672 2.198 30 10 JEEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN([C@H](C)c2nc(CC)no2)CC1 1705659646 BVMPKEGFEPCNSG-MSOLQXFVSA-N 459.620 2.367 30 10 JEEE C=C(Br)Cn1c(N2CCC(N3CCNC3=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1705692486 KWMVADAPYLJRJX-FQEVSTJZSA-N 483.411 2.221 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CC(=O)NCC)CC1 1705697172 SMYLALXMLFUJSA-RXVVDRJESA-N 474.009 2.233 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCc1cccs1 1705700191 PUVIHEJRWGVMPL-SXLOBPIMSA-N 495.671 2.333 30 10 JEEE C=CCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1705888829 WWNKPLBTZUVZLW-UHFFFAOYSA-N 456.547 2.113 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N(C)Cc1cc2c(cc1OC(F)F)OCO2 1705900702 MQIQUQYBTHQOMZ-UHFFFAOYSA-N 473.440 2.004 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](C(F)(F)F)C1 1705938501 AHSUVUCEEAZHOU-XHSDSOJGSA-N 466.526 2.382 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCOC3(CCCCC3)C2)nnc1[C@]1(OCC)CCOC1 1705938926 NHJKUYLPKWSFQR-QFIPXVFZSA-N 468.620 2.071 30 10 JEEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1705948020 GCNSBLODKRZXEE-XMSQKQJNSA-N 486.690 2.048 30 10 JEEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ccccc1Cl 1706746993 HCAIJLMEIOFBFE-QAPCUYQASA-N 482.994 2.082 30 10 JEEE CCN(c1nnc(-c2ccc(C#N)cc2)n1CCNC(=O)c1cccs1)[C@@H]1CCS(=O)(=O)C1 1709937889 CVKSNWIXLHFXHG-GOSISDBHSA-N 484.607 2.322 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1Cc1cnn(CC)c1)[C@@H]1CCS(=O)(=O)C1 1722360761 VVAJAFCVRPBDRQ-LJQANCHMSA-N 458.975 2.490 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@@](C)(O)c1ccco1)[C@@H]1CCS(=O)(=O)C1 1722370870 FNCFAWGDOXGTOF-NTKDMRAZSA-N 484.578 2.293 30 10 JEEE C#CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1722453607 ZHVSLPSSPMTKNR-JOCHJYFZSA-N 473.002 2.087 30 10 JEEE C#CCSCCn1c(COc2ccccc2OC)nnc1N1CCC2(CC1)COC(=O)N2 1722464144 WIJURZJEGDFQEQ-UHFFFAOYSA-N 457.556 2.311 30 10 JEEE C=C(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 1722520912 RQGCBMYJAOXXKT-UHFFFAOYSA-N 458.588 2.270 30 10 JEEE C=C(Cl)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC2(CC1)CNC(=O)C2 1722545485 GJJTYZKERZPUKT-UHFFFAOYSA-N 479.006 2.054 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1722695103 SRFMCDOUQNILBM-UHFFFAOYSA-N 484.601 2.348 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](c2cccc(F)c2)C1 1722729148 XAIADIHJBVYHDJ-UYAOXDASSA-N 464.563 2.490 30 10 JEEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)C2CC2)CCN1CC(F)(F)F 1726670519 FABVZEHXOKJLRH-OAHLLOKOSA-N 461.492 2.416 30 10 JEEE CCOc1ccc(-c2nnc(N3CCN(c4ccc(C#N)cn4)CC3)n2CCC(=O)NC)cc1OC 1728854298 FQEKNUIOTJZCJF-UHFFFAOYSA-N 490.568 2.082 30 10 JEEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@H](OCCOC)C1 1740587304 FTPNXQWWXIQXMM-SFHVURJKSA-N 460.604 2.283 30 10 JEEE C#CCN(c1nnc(Cn2ccc3ccccc32)n1CCC(=O)NC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1740624888 MKHCOQQMHTUAJW-FQEVSTJZSA-N 496.637 2.213 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1CC1(S(C)(=O)=O)CCCC1 1740676360 APXXYJKLQATEHA-LJQANCHMSA-N 473.574 2.366 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(C)(C)C(=O)NC 1740684894 DWYPKXIOSJVPSQ-SFHVURJKSA-N 476.622 2.251 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@](C)(O)CCOC)CC1 1740693306 WSEAWCQEUJDWAP-OAQYLSRUSA-N 462.392 2.250 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2Cc2ccccc2CN2CCOCC2)CC1 1740702787 XNSKJBUDDNYIRO-UHFFFAOYSA-N 478.641 2.422 30 10 JEEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1740720029 VSQNRUUEYQCTQH-OAQYLSRUSA-N 482.610 2.011 30 10 JEEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(C)s1 1740795073 NDJXQNZQJULNLP-GOSISDBHSA-N 469.633 2.210 30 10 JEEE C=CCC(C)(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(S(C)(=O)=O)CC1 1740847581 MSRJEVMBQXAKMD-UHFFFAOYSA-N 471.587 2.278 30 10 JEEE C=CCCOCCn1c(Cc2ccccn2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1740886999 ZOVYJFVRILZYNF-IBGZPJMESA-N 459.558 2.233 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@H](C)[C@H](OC)C1 1740953475 HHICMCPNGWCJHY-HNAYVOBHSA-N 459.547 2.134 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1740988072 SBBVHZXCSUBHFA-ROUUACIJSA-N 461.544 2.317 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 1740989337 JTBRAESROKPSCW-UHFFFAOYSA-N 486.623 2.273 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN(C(=O)Cc2ccccc2C)CC1 1740989773 XPVSPCRHTJSQQY-UHFFFAOYSA-N 494.621 2.141 30 10 JEEE CCN(CC)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCC[C@@H](O)C2)CC1 1746047436 HCPDVRPXRUGJRV-FYYLOGMGSA-N 479.629 2.358 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@@]2(O)CCC[C@H]2C)c1 1748690335 QQCAOWRHVWWQPJ-OSPHWJPCSA-N 452.559 2.024 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCO[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1748809955 XWSUEWJINUIUKQ-DSKINZAPSA-N 453.568 2.259 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCN1CCCC(C)(C)C1)[C@H]1CCS(=O)(=O)C1 1748815141 NRLQZYKSWZQVFM-VQTJNVASSA-N 463.648 2.268 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1748856236 VSXJTOSBZIAHCK-OAQYLSRUSA-N 481.560 2.470 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 1748959241 PVWJNYPJGJSUSE-QFIPXVFZSA-N 461.570 2.112 30 10 JEEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1749225395 FFBHJVYNVGHZJM-QGZVFWFLSA-N 458.563 2.484 30 10 JEEE C=CC1CCN(c2nnc(CCc3ccc(OC)cc3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1749345982 ZICNWRWCUMDTDK-FQEVSTJZSA-N 452.559 2.463 30 10 JEEE C=CC[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCOCC1)c1ccccc1 1749385360 QDMURDAJDFXUMB-NHCUHLMSSA-N 475.615 2.198 30 10 JEEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H]1COc2ccccc2O1 1749402321 LVEGYDHIARMQKR-WIYYLYMNSA-N 491.614 2.244 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2Cc2cccnc2OC)C1 1749695536 DNOHTZNBYKZUEU-HXUWFJFHSA-N 498.609 2.429 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(CC)s2)C1 1749713792 YQHKBKAIPAGUAT-QFBILLFUSA-N 481.644 2.065 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1749729434 JLQRJKNLUKLNGJ-JTSKRJEESA-N 464.563 2.459 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCC(=O)N[C@H](C)CC 1760101429 PMCIBDYVDHWVIJ-HZPDHXFCSA-N 459.620 2.309 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2OCC)n1C[C@H]1CCCN1S(C)(=O)=O 1760124651 ULPZLGJIOBARMJ-QZTJIDSGSA-N 461.588 2.138 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1C[C@](C)(O)CCOC)[C@H]1CCS(=O)(=O)C1 1760182899 KVOBKDPYHJDKCB-HRAATJIYSA-N 484.981 2.152 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1C[C@@](C)(O)CCOC)[C@@H]1CCS(=O)(=O)C1 1760182910 KVOBKDPYHJDKCB-IERDGZPVSA-N 484.981 2.152 30 10 JEEE C#CCN(c1nnc(-c2ccc(Br)cc2)n1C[C@@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1760183066 LRLPYVXCNLUGRA-QAPCUYQASA-N 480.432 2.284 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@@H]1CCC[C@H]1OC)[C@@H]1CCS(=O)(=O)C1 1760183125 MOZMQRAIAHOWCC-QKNQBKEWSA-N 458.584 2.396 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CCN1CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1760185924 HAXXVOJSJMXCBO-MSOLQXFVSA-N 477.581 2.258 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCO[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1760191651 LFTFCLGXBILAQM-HMXCVIKNSA-N 483.594 2.171 30 10 JEEE C#CCN(CC)c1nnc(Cc2csc(C)n2)n1Cc1ccccc1S(=O)(=O)N(C)C 1760237131 WXEPBEJLUKDJKD-UHFFFAOYSA-N 458.613 2.392 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCC(=O)NC(C)C)CC1 1760267613 SPUHYDDGOCKZKY-UHFFFAOYSA-N 456.978 2.479 30 10 JEEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 1760287190 JMQLCTYXXXSKCK-RBUKOAKNSA-N 467.661 2.327 30 10 JEEE C=C(Br)Cn1c(-c2noc3c2COCC3)nnc1N1CCN(CCOC)[C@H](CC)C1 1760307490 RDXXDLBTZKFWJX-OAHLLOKOSA-N 481.395 2.461 30 10 JEEE C=C1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCCNS(=O)(=O)CC)CC1 1760387975 BCGDNFSWWKMGOO-UHFFFAOYSA-N 457.560 2.080 30 10 JEEE C=CCCCn1c(Cc2ccncc2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1760441556 MQOJWRCDPZQNIZ-QHCPKHFHSA-N 453.635 2.461 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCOC(C)(C)[C@@H]1C 1760515765 ZDQPNPZZNQLJQT-HNNXBMFYSA-N 460.966 2.167 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](COC(C)C)C1 1760528617 IBWXJIMYSAYUHS-OALUTQOASA-N 492.621 2.283 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@H](C(=O)OC)C1 1760551444 FYQVJRNCSVRAIH-AWEZNQCLSA-N 468.963 2.207 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(C(=O)NCCC)CC1 1760552902 FLORYSWIHPGAMJ-UHFFFAOYSA-N 481.022 2.337 30 10 JEEE CC(C)(C)[S@@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cnccn2)CC1 1760804414 DKUNGQOAOYVBOZ-XIFFEERXSA-N 464.599 2.481 30 10 JEEE CCCCN(C)C(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nncn2C)CC1 1765701733 CGLMMCGJSUSOAB-UHFFFAOYSA-N 461.574 2.468 30 10 JEEE CCOc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CN(CC(C)C)CCO1 1766089592 GNGMOHHNVGVJIM-RTWAWAEBSA-N 484.601 2.341 30 10 JEEE CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1768462410 AALAGGXUMXVKDA-GOSISDBHSA-N 483.573 2.263 30 10 JEEE COCCN(CC(C)C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1769812842 HKIBBSWQBOKBFL-IBGZPJMESA-N 460.604 2.207 30 10 JEEE COc1ccc2nc(N3CCN(C(=O)[C@H]4CCCN4C(=O)C(F)(F)F)CC3)c(C#N)cc2c1 1857959692 NQHFRKNUJMTZCB-GOSISDBHSA-N 461.444 2.317 30 10 JEEE C=CCN(CC=C)C(=O)[C@H](CCSC)NC(=O)[C@@H]1CC(=O)N(c2ccccc2C(=O)OC)C1 1862182783 ZLHSVAKDLJJBAO-MJGOQNOKSA-N 473.595 2.265 30 10 JEEE COc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N(CCN3CCOCC3)C2=O)c(OC)c1 1863421454 GOPQCEJBWRULKL-UHFFFAOYSA-N 462.506 2.100 30 10 JEEE C=CCOc1ccccc1[C@H]1C(C(=O)N(C)CCC(=O)OCC)=C(N)Oc2c1c(C)nn2C 1865227455 JQDIYYSUKVOXOR-HXUWFJFHSA-N 454.527 2.400 30 10 JEEE CC(C)N1C[C@H](c2nnc(SCC(N)=O)n2/N=C/c2cc(Br)ccc2F)CC1=O 1874337961 MGIULHOFYCGPGG-DYFGUKFHSA-N 483.367 2.364 30 10 JEEE C=C(CNS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O)B1OC(C)(C)C(C)(C)O1 1991969663 OCEFNDNUMKAYSO-UHFFFAOYSA-N 462.377 2.416 30 10 JEEE CC(C)(C)OC(=O)N[C@]1(C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CCS(=O)(=O)C1 2180991161 KCNHYGCEWPTKBM-JOCHJYFZSA-N 480.392 2.006 30 10 JEEE CN1C[C@H](C(=O)N2CC[C@@H]3C[C@@]3(B3OC(C)(C)C(C)(C)O3)C2)N(C(=O)OC(C)(C)C)CC1=O 2194128251 DFYWKVGLCQECEE-CKNGIIGNSA-N 463.384 2.149 30 10 JEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](COc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)[C@H]1OC 2241099776 LUVSLPAROKOEQA-ZHALLVOQSA-N 464.368 2.409 30 10 JEEE C#CC(CO)(CO)NC(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@H](C)CC 2245489480 BRHLZSNHIBOHSZ-UZUQRXQVSA-N 450.535 2.413 30 10 JEEE C[C@H](NC(=O)c1csc(B2OC(C)(C)C(C)(C)O2)c1)C1(O)CN(C(=O)OC(C)(C)C)C1 2255845915 FNPSTILUGLGMII-ZDUSSCGKSA-N 452.382 2.147 30 10 JEEE C[C@H]1OCCN(C(=O)OC(C)(C)C)[C@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2256616397 BGEGZFGAQTYWBN-TZMCWYRMSA-N 453.370 2.405 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H]1C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)s1 2256628616 KNVNRYKHKKIUGW-DZGCQCFKSA-N 452.382 2.034 30 10 JEEE C[C@@H]1CCC[C@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)N1C(=O)OC(C)(C)C 2256639258 HMXAXKQNENIEQC-CHWSQXEVSA-N 452.386 2.376 30 10 JEEE CC(C)(C)OC(=O)NCCN(CC(F)(F)F)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2267142109 PSAZSQGUSBIZGN-UHFFFAOYSA-N 462.278 2.238 30 10 JEEE CC(C)(C)OC(=O)NCCO[C@@H]1CCN(C(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)C1 2267162948 DLMGZEPHOBHFLF-CQSZACIVSA-N 467.397 2.198 30 10 JEEE CCN(C(=O)c1nn(C)c(Cl)c1B1OC(C)(C)C(C)(C)O1)C1CN(C(=O)OC(C)(C)C)C1 2267501346 WOJATJSLSYLSCZ-UHFFFAOYSA-N 468.791 2.454 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2268646194 SUYRIXJLVIHCFG-PBHICJAKSA-N 450.316 2.434 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1CC(F)(F)CN1C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2278906758 HJXYKJGMUASKDL-LBPRGKRZSA-N 456.299 2.083 30 10 JEEE Cn1ncc(C(=O)NC[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2(C)C)c1B1OC(C)(C)C(C)(C)O1 2281832694 QUMNNIFYOGGOIM-GDBMZVCRSA-N 462.400 2.389 30 10 JEEE C[C@@H](NC(=O)OC(C)(C)C)c1csc(NC(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)n1 2281937479 AGVCUHZVYJUYOZ-LLVKDONJSA-N 478.384 2.409 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1CCCN(C(=O)OC(C)(C)C)C1 2282012425 WGSGXOIDRRAVEO-MRXNPFEDSA-N 462.400 2.405 30 10 JEEE Cn1nc(C(=O)NC[C@H]2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2282037708 YWQRALRKSGOOGY-ZSOGYDGISA-N 480.802 2.215 30 10 JEEE CC(C)(C)OC(=O)N1CC(c2nc(NC(=O)c3occc3B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2282042949 GNOKTGXKBIRNON-UHFFFAOYSA-N 459.312 2.284 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C12CCC2 2282172091 SAQWZBBETOGQQC-INIZCTEOSA-N 458.368 2.438 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)c(F)c2)[C@H](O)C1 2282480034 AJNFVBNRGUXMMA-ZWKOTPCHSA-N 464.343 2.225 30 10 JEEE C=C(CS(=O)(=O)Nc1n[nH]c([C@@H]2CCN(C(=O)OC(C)(C)C)C2)n1)B1OC(C)(C)C(C)(C)O1 2282494818 CUKHQDRZRBOCLH-CQSZACIVSA-N 483.400 2.458 30 10 JEEE COc1cc(C(=O)N2CC[C@](C)(NC(=O)C(F)(F)F)C2)ccc1B1OC(C)(C)C(C)(C)O1 2282568175 YUDVTAUNUCYKOR-FQEVSTJZSA-N 456.270 2.278 30 10 JEEE Cc1ccnc(C(=O)N2C[C@@H](NC(=O)C(F)(F)F)C[C@@H](C)C2)c1B1OC(C)(C)C(C)(C)O1 2282569919 YSAPNKPQAYBYOK-OCCSQVGLSA-N 455.286 2.218 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1CC(F)(CNC(=O)OC(C)(C)C)C1 2282581986 PNSVPOQPSXXCSC-UHFFFAOYSA-N 466.363 2.327 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)OC(C)(C)C1 2282638338 LQEAOQILVNJWFL-MRXNPFEDSA-N 463.384 2.458 30 10 JEEE Cc1cnc(C(=O)N2CCC[C@H](NC(=O)C(F)(F)F)[C@@H]2C)c(B2OC(C)(C)C(C)(C)O2)c1 2282644682 MXGMNVNAYFAECB-ZFWWWQNUSA-N 455.286 2.361 30 10 JEEE COC(=O)[C@H](CCNC(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2282647770 GHOQYHSDTQBQNM-KRWDZBQOSA-N 462.352 2.172 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCCCN(S(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282830629 XJEWBPQWBYUOOT-KRWDZBQOSA-N 481.424 2.449 30 10 JEEE CC(C)(C)OC(=O)NCC[S@](C)(=O)=NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(O)cc1O 2282966405 JGTACSJCGRHYCN-XIFFEERXSA-N 484.380 2.160 30 10 JEEE CC1(C)OB(c2ccc(O)c(C(=O)NC[C@@H]3COCCN3Cc3ccccc3)c2)OC1(C)C 2282991959 MYHVVTSAZFDRCF-HXUWFJFHSA-N 452.360 2.322 30 10 JEEE C[C@H](NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCN1C)c1nscc1B1OC(C)(C)C(C)(C)O1 2283960892 CNHZJQIOFTWRDX-GOEBONIOSA-N 480.440 2.171 30 10 JEEE CCO[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2283969747 QXJDPCDSBWIBER-CABCVRRESA-N 481.424 2.331 30 10 JEEE CC(C)(C)OC(=O)NCC1(O)CC(C(=O)NCc2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2283975278 XUKLNDYAZPUSBW-UHFFFAOYSA-N 460.380 2.268 30 10 JEEE CO[C@H](CNC(=O)OC(C)(C)C)CNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2339878666 NINCQXGOMQDNQA-OAHLLOKOSA-N 490.453 2.006 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2F)n1C 2362332477 NLFWLLIVMNAAOZ-HUUCEWRRSA-N 466.363 2.105 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H]3[C@H](CCN3C(=O)OC(C)(C)C)C2)n1C 2362333225 RLISUGMQABARQX-HZPDHXFCSA-N 460.384 2.109 30 10 JEEE CCn1cc(C(=O)N(C)[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2F)nc1B1OC(C)(C)C(C)(C)O1 2369668226 ZLVIGYZQRPGIHM-ZBFHGGJFSA-N 466.363 2.232 30 10 JEEE C/C(=N\Nc1nc(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)n[nH]1)c1ccc(C)cc1 20837897 LWNCKVCYMKVWHQ-YDZHTSKRSA-N 459.557 2.327 30 10 JEEE C=CCn1c(=O)c2sc(N3CCCCC3)nc2n(CC(=O)Nc2cc(OC)ccc2OC)c1=O 21655644 ZZEOXGHIVBHTPR-UHFFFAOYSA-N 485.566 2.452 30 10 JEEE COc1cccc([C@@H]2/C(=C(/O)c3c(C)n[nH]c3C)C(=O)C(=O)N2CCCN2CCOCC2)c1 102741061 QNLOSMXEOOONFB-SADKCHQCSA-N 454.527 2.179 30 10 JEEE COc1ccc(OC)c([C@H]2/C(=C(/O)c3cnc(C)nc3C)C(=O)C(=O)N2CCCN(C)C)c1 102759641 BPRSTCKFAVNVRQ-AGGMBTAESA-N 454.527 2.484 30 10 JEEE COC(=O)c1ccc([C@H]2C(C(=O)/C=C\c3ccco3)=C(O)C(=O)N2CCN2CCOCC2)cc1 111831433 UKPLYRGFPFLCIS-BVGULUMVSA-N 466.490 2.376 30 10 JEEE N#Cc1ccccc1CSCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)C[C@H]2CCCO2)cc1 609435642 CBFZCBBZUDRGPR-HXUWFJFHSA-N 487.603 2.499 30 10 JEEE CC1(C)OB(c2cccc(I)c2S(=O)(=O)N2CCCC2)OC1(C)C 725434159 XWGIDPSZPYKBCD-UHFFFAOYSA-N 463.146 2.375 30 10 JEEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccc2c(c1)OCCO2 729669369 MQPYUHCPOTUNEL-MRXNPFEDSA-N 486.553 2.436 30 10 JEEE CCN(CC)c1ccc(C=NNc2nnc(SCC(=O)Nc3nccs3)n2N)c(O)c1 1084186282 SKWFWGBBIPPFEY-UHFFFAOYSA-N 461.577 2.177 30 10 JEEE Cc1csc([C@](O)(CC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C(F)(F)F)n1 1139811134 FGQNWMBTHWTLPQ-HNAYVOBHSA-N 452.458 2.381 30 10 JEEE C=CCNS(=O)(=O)c1cccc(C(=O)Nc2cccc(C(=O)N3CCC[C@H](CO)C3)c2)c1 1153269890 BVQUGEXSXQNBAX-KRWDZBQOSA-N 457.552 2.248 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@@H]1CCCOC1)[C@@H]1CCS(=O)(=O)C1 1286395753 NBXYRVXNQQWUGI-PKOBYXMFSA-N 462.547 2.050 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2CC2CCN(CCN(C)C)CC2)CC1 1286485951 DICSPZUEDDKRSH-HXUWFJFHSA-N 457.667 2.031 30 10 JEEE C=C(Br)Cn1c(COc2ccccc2OC)nnc1N1CCN(C(=O)COC)CC1 1286546506 BDBQNVWAZUIFLR-UHFFFAOYSA-N 480.363 2.069 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1286677489 CEGRELGZLGUKRJ-FHWLQOOXSA-N 474.606 2.371 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCCC[C@@H](SC)C1 1286782615 ZZUGXTKBLLLGHC-QGZVFWFLSA-N 463.629 2.373 30 10 JEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1286832919 QRXXBUKDTASFJE-MCIONIFRSA-N 454.540 2.255 30 10 JEEE CC(=O)N1CCC(Cn2c([C@@H]3COCCN3C(=O)OC(C)(C)C)nnc2N(C)C[C@@H](C)C#N)CC1 1286854967 AWKLUIXIANPEPQ-PXNSSMCTSA-N 489.621 2.441 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1C[C@@H](C)N(C)C 1292116560 CZLJDQHKWNWHHR-QGZVFWFLSA-N 470.597 2.484 30 10 JEEE CN(C)c1ccc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)cn1 1298060206 FJIWZDHWVQBYBV-NRFANRHFSA-N 495.609 2.251 30 10 JEEE COc1ccc(Br)c(-c2nnc(N(C)[C@H](C)CC#N)n2CC(=O)N2CCOCC2)c1 1299966543 HABKJPKMDJMJGP-CQSZACIVSA-N 477.363 2.313 30 10 JEEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCCN(C(=O)Cc2cccc(F)c2)CC1 1300382685 ZICYXHUBHRLJSX-UHFFFAOYSA-N 466.561 2.348 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1cc(F)ccc1OC)[C@@H]1CCS(=O)(=O)C1 1300488381 RHTXWPXCERBPAN-LJQANCHMSA-N 455.515 2.163 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1ccc(N(CC)CC)nc1)[C@@H]1CCS(=O)(=O)C1 1300495988 MEKIUCCIUFCOHI-NHCUHLMSSA-N 486.642 2.436 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCn2ccnc2C1 1300671609 LTDOBKHHXFDDFQ-VQTJNVASSA-N 499.616 2.132 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2CCCCN2CCOCC2)CC1 1300716123 JIXZCEBFZCQNOX-UHFFFAOYSA-N 480.613 2.032 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2CCC(=O)NC(C)C)CC1 1300726788 RHXTVMHODDWZGQ-UHFFFAOYSA-N 450.587 2.058 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCN2CCSCC2)CC1 1300730951 HVWDBMUVVCBFIN-UHFFFAOYSA-N 496.681 2.489 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2C#N)CC1 1300870831 AIGPQRUBAMVUPP-VCOUNFBDSA-N 499.641 2.068 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2nc(C)c(C)s2)CC1 1301086643 MEZJCIDIJYHYFL-QGZVFWFLSA-N 466.633 2.083 30 10 JEEE C=CCOc1ccccc1Cn1c(Cc2ccncc2)nnc1N(C)CC(=O)N1CCOCC1 1301531528 PBQPAOSYHWJSNT-UHFFFAOYSA-N 462.554 2.172 30 10 JEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2csc(CC)n2)CC1 1301611271 AMKOLKGGBUVEST-QGZVFWFLSA-N 496.728 2.441 30 10 JEEE CC(C)(C)S(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1302313033 GLEGNSUAISVHMQ-WOJBJXKFSA-N 473.599 2.414 30 10 JEEE C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc([N+](=O)[O-])c(Br)cc1C 1309088817 XDHDDKWZQJAEOS-LLVKDONJSA-N 453.336 2.030 30 10 JEEE C#CCn1ccc(CN(CCOC)C(=O)NCc2ccc(CN3C[C@@H](C)O[C@H](C)C3)cc2)n1 1311496623 OCPPAUMEVBEIBL-NHCUHLMSSA-N 453.587 2.484 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1c(C)nn(C)c1C 1359002652 IANQMUXYBJAPMU-UHFFFAOYSA-N 455.588 2.054 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(C)C)n1Cc1cccn(CC)c1=O 1359015308 PDSVUTAPXHTGHX-UHFFFAOYSA-N 450.518 2.425 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)N(C)C1CC1 1359025528 RJKOATWLLNEQPV-QUCCMNQESA-N 476.622 2.155 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(C(=O)N3CCCC3)n2C[C@]2(C)CCCS2)n1 1359027513 MGRDPUSCHKEGQP-QHCPKHFHSA-N 471.631 2.283 30 10 JEEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1359056209 AMMCCXPNPMBLMB-NNWRFLSQSA-N 474.675 2.265 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(O)CCO[C@@H]1C 1359071249 JMJTVMYYHNJHKC-LPQSXTOPSA-N 475.590 2.119 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CCOc2ccccc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1359103504 PCJFDTRXJGVNKQ-FJIJXJHWSA-N 469.586 2.222 30 10 JEEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(=O)Nc2ccccc2)CC1 1359117081 CFYMQCMPVPWGOF-MRXNPFEDSA-N 461.592 2.255 30 10 JEEE C=C1CCN(c2nnc(CNC(=O)c3cccs3)n2CCNS(=O)(=O)c2ccccc2)CC1 1359168141 IWMOAEFYZVWPJY-UHFFFAOYSA-N 486.623 2.405 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCS(=O)(=O)CC1 1359291723 AREHWZORJVLYSU-INIZCTEOSA-N 482.006 2.225 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1359293111 HNRQUFANFGZXJJ-MHECFPHRSA-N 472.565 2.160 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1359293504 RPJUWYWUDLIIQP-IAGOWNOFSA-N 479.578 2.263 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)c2ccc(C)cc2)CC1 1359299717 MBYSJINCHQUNTR-FQEVSTJZSA-N 452.559 2.093 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cn(CCCC)nc2C)C1 1359321579 IQDHCBXMGJXIRF-ICSRJNTNSA-N 462.620 2.315 30 10 JEEE CC(=O)N1CC[C@@H](CN(C)c2nnc(COc3ccc(C#N)cc3)n2CC2([S@](C)=O)CCC2)C1 1359362950 HXNJBHNUAPOALG-TYHYVREOSA-N 484.626 2.335 30 10 JEEE CC(C)(C)Cc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@H]1CCCN1CCCO 1359538707 BKSUFFDUTCLKLR-OAQYLSRUSA-N 466.634 2.307 30 10 JEEE C[C@@H](CN(C)C(=O)OC(C)(C)C)Cn1c(Cc2ccncc2)nnc1N1CCO[C@H](C#N)C1 1360515000 DBMCORHTLDWNPZ-PKOBYXMFSA-N 455.563 2.496 30 10 JEEE CCOC(=O)c1c(NC(=O)N2CC[C@H]3CN(C(=O)C(F)(F)F)C[C@@H]3C2)c(C#N)cn1CC 1476762385 GLOSOUQRUIOLOC-JSGCOSHPSA-N 455.437 2.431 30 10 JEEE CC[C@H](C)[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1494869658 FQADQLQEKDPZQM-QYBDOPJKSA-N 488.596 2.434 30 10 JEEE COC(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](N2CCOCC2)C(F)(F)F)C1 1503861988 DZFMBGLTVKUDBX-ZWKOTPCHSA-N 478.475 2.079 30 10 JEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1507562844 ADQWFAGPTJYOJC-SFHVURJKSA-N 472.571 2.219 30 10 JEEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 1507596653 MJBBMWGCADNWFQ-GMAHTHKFSA-N 451.571 2.307 30 10 JEEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1507661589 ZZBOAXDJALZFHZ-NAKRPHOHSA-N 491.636 2.397 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CCC(=O)N(C)C)CC1 1507721499 UEUXVHYMEUIBCE-UHFFFAOYSA-N 459.392 2.250 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C(C)C)N2CCCC2)CC1 1507734310 URHZJYFZGLQKQK-OAQYLSRUSA-N 492.628 2.012 30 10 JEEE C#CCSCCn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@H](C(N)=O)C1 1507744828 PKKIGWRTHCFNNY-ZDUSSCGKSA-N 464.389 2.394 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCCCC2)CC1 1507750620 APOWAJSWUYYCSZ-SFHVURJKSA-N 451.662 2.001 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCS(=O)(=O)CC1 1507791062 HBDGWJGUJHDEOU-AWEZNQCLSA-N 490.424 2.494 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC2CCCC2)nnc1N1CCCN(S(C)(=O)=O)CC1 1507804813 IAXUTFLBROECPD-PZJWPPBQSA-N 451.637 2.464 30 10 JEEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@H](c2noc(C)n2)C1 1507941124 BQNWDARWJTWFCC-IBGZPJMESA-N 487.586 2.431 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCCO1 1508007943 JPLJYQUTHRRRFU-MJGOQNOKSA-N 481.644 2.434 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCCN(CCC)C(=O)C1 1508074728 RRDZDAAHZAXEHF-UHFFFAOYSA-N 460.966 2.358 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CCN2CCOC(C)(C)C2)C1 1508132338 TWKFQHHYVZXARF-SFHVURJKSA-N 474.631 2.162 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(F)c(Cl)c1 1508140439 NTBRSIPURCAZSX-MRXNPFEDSA-N 455.943 2.259 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CC[C@](O)(c2cccc(F)c2)C1 1508144218 NPMXNUJIORDOTL-HSZRJFAPSA-N 471.558 2.102 30 10 JEEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCn2c(nnc2-c2ccccc2)C1 1508153324 XVKPVFHEOQHVEZ-MRXNPFEDSA-N 488.643 2.086 30 10 JEEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCO[C@@H]2C(C)C)CC1 1508256962 AHIWTCNUHQOEJW-NFBKMPQASA-N 452.559 2.458 30 10 JEEE CCN1CCN(C[C@H](C)Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N(C)[C@H](C)CC#N)CC1 1515936598 HGIRPRVUVBEZLC-VQTJNVASSA-N 487.674 2.361 30 10 JEEE CCOCC(C)(C)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCO[C@@H](C#N)C1 1516434281 HEAJQMKJVBXJEJ-QHCPKHFHSA-N 481.645 2.434 30 10 JEEE C#CCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1539051591 DFMBIIZGEFPQMH-UHFFFAOYSA-N 451.531 2.057 30 10 JEEE C#CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(CCOCC)CC1 1539067928 MYVNDMWBFVLWBF-UHFFFAOYSA-N 463.586 2.154 30 10 JEEE C#CCN(c1nnc(CCCc2ccccc2)n1C[C@H]1CC=CCO1)[C@H]1CCS(=O)(=O)C1 1539231704 XAZRPNQQLYHCSG-FCHUYYIVSA-N 454.596 2.425 30 10 JEEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCO[C@@H]1C(C)C 1539408999 LFPUKMNNSBJLDR-AZUAARDMSA-N 474.631 2.385 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(CC)cc3)n2CC[C@@H]2COCCO2)CC1 1539469472 ASPUXHOSKUUGPA-JOCHJYFZSA-N 451.571 2.279 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CC2CN(C(=O)OC(C)(C)C)C2)CC1 1539482692 OEVQJOILYKTWJE-UHFFFAOYSA-N 458.607 2.309 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2Cc2cccc(N(C)C)c2)CC1 1539484273 JOILNQLLUXLJAF-UHFFFAOYSA-N 457.582 2.344 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cccc(C#N)c1 1539617897 ZGIJSFSWBIDKFR-DBVUQKKJSA-N 458.588 2.378 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1539645542 QYGAMMGVHQIVAY-XJUOHMSHSA-N 455.607 2.426 30 10 JEEE C=CCC(C)(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CCCN(S(C)(=O)=O)CC1 1539899895 APSMNLPBVCNQBN-UHFFFAOYSA-N 454.641 2.271 30 10 JEEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@](O)(c2ccccc2F)C1 1539953024 NPYONHHBNNZCRG-IIBYNOLFSA-N 451.568 2.482 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C#N)o1 1540133003 CRQWQFBOHFMYQI-NRFANRHFSA-N 482.566 2.317 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1540900655 CYGNQNUBLQQIJJ-QGZVFWFLSA-N 473.599 2.050 30 10 JEEE CC(C)(C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1541136856 BWRCIRNDFSSDOH-OAQYLSRUSA-N 465.602 2.280 30 10 JEEE N#Cc1sc(NC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@H]2CCCO2)C3=O)nc1Cl 1544536512 HZBCZFZEPGDCET-SNVBAGLBSA-N 452.901 2.244 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H]1CCc2ccccc21 1587639400 LJFMACHZFQPPBO-FBBABVLZSA-N 457.600 2.189 30 10 JEEE C#CCCCn1c(N2CCC(CNS(C)(=O)=O)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1587893438 FPMIZFXECTWSOW-KDURUIRLSA-N 494.662 2.228 30 10 JEEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1(S(C)(=O)=O)CCCC1 1588025430 ZJUXMWJFCBNDIK-CALCHBBNSA-N 465.620 2.476 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H]1CCOC[C@@H]1OC)[C@H]1CCS(=O)(=O)C1 1588040148 ISGCKPNHFOQNFM-KNBMTAEXSA-N 496.992 2.416 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1ccc(F)c(C)c1)[C@H]1CCS(=O)(=O)C1 1588065451 YTIKMOLYLUKQTJ-FQEVSTJZSA-N 453.543 2.386 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)Nc2ccccn2)n1CC(=O)NCC(F)F 1588473135 LRLSNTIQJKLHCV-UHFFFAOYSA-N 471.443 2.086 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(C#N)o2)CC1 1588962059 SHGARIPRUNEHDB-UHFFFAOYSA-N 469.505 2.208 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1589242484 BKKNQQOMKPBLDL-KBMIEXCESA-N 497.669 2.204 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CCOc2ccccc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1589557824 JFJYZIVDMMXDSJ-NFBKMPQASA-N 489.642 2.353 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccc2OC)nnc1N(C)CC(=O)N1CCOCC1 1589558969 NDODFMDBQWJLPE-RDPSFJRHSA-N 469.586 2.154 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1cccs1)C[C@H]1CCCO1 1593637147 YKHILNOOMPLSHI-MJGOQNOKSA-N 481.644 2.434 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccn3)n2CCNS(=O)(=O)c2ccccc2)C1 1595706102 HFDBKTUQHYNSAQ-GOSISDBHSA-N 454.556 2.100 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](c2nc(C)c(C)s2)C1 1595759932 HQAOUYLHCUVKHY-KRWDZBQOSA-N 480.660 2.474 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)[C@H]1CCSC1 1595788544 CGUJNAAWHKWCCS-AWEZNQCLSA-N 460.585 2.136 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@@]1(O)CCC[C@@H]1C 1613588373 GTKGDURSUGODFK-RPPIVITFSA-N 495.632 2.124 30 10 JEEE CCc1ccccc1OCc1nnc(N2CCC(CC#N)CC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1613820197 BUCJOTQUQNXXRP-QHCPKHFHSA-N 473.599 2.099 30 10 JEEE CCC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1614342680 BORDHLJKSSCNSV-NVQXNPDNSA-N 481.645 2.496 30 10 JEEE CO[C@@]1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(O)(C(F)(F)F)CC2)CCOC1 1619061561 ARRDALNVYLWQPP-HXUWFJFHSA-N 481.475 2.428 30 10 JEEE CS(=O)(=O)NC[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCS2)C1 1620173279 CSKPXPPQRFPSSJ-ICSRJNTNSA-N 490.655 2.390 30 10 JEEE C#CCn1ccc(CN(CC)S(=O)(=O)c2cc3c(cc2Br)CCC(=O)N3)n1 1622097159 PDAAJZLJOQFEFJ-UHFFFAOYSA-N 451.346 2.374 30 10 JEEE COc1cc(NC(=O)CNS(=O)(=O)c2ccc(Br)c(C#N)c2)cc(OC)c1 1661986397 DMFHUMMKXPIYDE-UHFFFAOYSA-N 454.302 2.255 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccc(OCCC)cc1)[C@@H]1CCS(=O)(=O)C1 1689987806 CORLBKZIHBOEIO-HXUWFJFHSA-N 468.583 2.142 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1cccc(NC(C)=O)c1)[C@@H]1CCS(=O)(=O)C1 1689990617 QNCANPBEWMITEI-RTWAWAEBSA-N 471.583 2.153 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCCCO2)n1CCNC(=O)c1cc[nH]n1 1690089649 JAFCJCIFFCDGGM-FQEVSTJZSA-N 451.506 2.452 30 10 JEEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1690172314 BPABIEUSZPUBOD-HXUWFJFHSA-N 471.631 2.266 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1690235846 FMRNFPVRLFADNT-QZTJIDSGSA-N 462.595 2.455 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1690250631 JWSXSNOFOFPVDT-NFBKMPQASA-N 472.634 2.465 30 10 JEEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2cc(Cl)ccc2C1 1690312939 HFTUWXKSKZWNCK-HXUWFJFHSA-N 496.033 2.420 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N1CCNC(=O)CC1 1690663595 BDSLOBHOFKYCRB-UHFFFAOYSA-N 454.531 2.441 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCNC(=O)CC1 1690729243 JUQNAQOKLYAASP-UHFFFAOYSA-N 488.397 2.091 30 10 JEEE CCn1cc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3cccc(F)c3C#N)CC2)cn1 1695778567 DYNWDOGMQDPFCM-UHFFFAOYSA-N 465.537 2.018 30 10 JEEE CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)cc1OC 1696133756 GFABJGWQQFQUHQ-IERDGZPVSA-N 463.535 2.078 30 10 JEEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1705509203 FBAIAIOBPVGWKB-JOCHJYFZSA-N 457.556 2.183 30 10 JEEE C#CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1705532353 MLBUALQORHNBME-IBGZPJMESA-N 471.606 2.362 30 10 JEEE C#CCN(c1nnc(COc2ccccc2CC)n1CCc1cn[nH]c1)[C@@H]1CCS(=O)(=O)C1 1705568132 IBXMPWIKNLZWET-HXUWFJFHSA-N 468.583 2.012 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H](C)N(C)Cc2ccccc2)CC1 1705634891 LQGZGOHEGVZSGG-ATIYNZHBSA-N 466.630 2.206 30 10 JEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](O)(c2ccc(C)cc2)C1 1705830189 KSRVWPNZJDRXJC-AUSIDOKSSA-N 460.600 2.179 30 10 JEEE C=CCN(c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@]1(O)CCS(=O)(=O)C1)C1CC1 1705850817 JSJBIKPCZKDSKJ-JOCHJYFZSA-N 462.572 2.057 30 10 JEEE C=CCn1c(-c2ccc(Br)cc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1705888046 BOXAWPZCKPVQPA-UHFFFAOYSA-N 473.375 2.165 30 10 JEEE C=CCn1c(Cc2ccccc2C)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1705891274 OSUBZTLQVPPKHL-UHFFFAOYSA-N 450.587 2.304 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(C)n3)n2CCNS(=O)(=O)c2ccccc2)C1 1705921884 AXQBEIKMLPZUAT-LJQANCHMSA-N 468.583 2.408 30 10 JEEE CCN(CCS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCOC[C@@H]1C 1710170409 AAHLQZQMOFVJQR-HKUYNNGSSA-N 461.588 2.272 30 10 JEEE COC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(NS(C)(=O)=O)CC2)CCCC1 1711633650 IDQMFKBQSXZSFE-UHFFFAOYSA-N 488.614 2.206 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@](C)(O)CCC(C)C)CC1 1722449037 LTYDBFIWLRMHJN-RUZDIDTESA-N 452.603 2.417 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@H](C)N(C)C)CC1 1722449716 OPTCCPXLLAQCNK-FQEVSTJZSA-N 452.603 2.390 30 10 JEEE C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 1722519444 ZWOKQPABSCBLON-UHFFFAOYSA-N 481.582 2.403 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC(O)(c2ccccc2Cl)CC1 1722696860 BWELRLIAJFUJGX-UHFFFAOYSA-N 455.950 2.122 30 10 JEEE CC[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CC#N)Oc1cccc(F)c1 1727266566 HKZJJMBYSCXJOL-HQRMLTQVSA-N 494.593 2.346 30 10 JEEE CCOC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCN2CCCO)C1 1728708369 AISYTRKFKLVTRO-FCHUYYIVSA-N 481.601 2.378 30 10 JEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](CN(CC)CC(F)(F)F)C1 1740592216 SZACMCPVKILULB-SJORKVTESA-N 461.554 2.304 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1CCC(=O)NCc1ccccc1)[C@H]1CCS(=O)(=O)C1 1740617798 XOUHESFDOHYSJS-QUCCMNQESA-N 457.600 2.125 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CSCCS1)[C@H]1CCS(=O)(=O)C1 1740621049 SQRJVACHXMKTQZ-JKSUJKDBSA-N 484.072 2.469 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](CC(N)=O)C1 1740754083 PZZQEZSRSXNICY-JLMWRMLUSA-N 487.626 2.422 30 10 JEEE C=C(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1740781981 QJNYXYYNWYNQIM-AWEZNQCLSA-N 475.475 2.273 30 10 JEEE C=CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1740865750 REKIQUMKMYFXKX-UHFFFAOYSA-N 471.587 2.147 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1740954204 FXWSWLRIEUGHSZ-QVKFZJNVSA-N 476.375 2.394 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC[C@@](C)(OC)CC1 1740958709 GLFLGVZPRPXIJD-RUZDIDTESA-N 479.585 2.373 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](c2ccccc2C)C1 1740967004 ZPDDQKJSPGSSAV-VCOUNFBDSA-N 455.559 2.191 30 10 JEEE CCCc1nc(C)c(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CC(=O)N2CCOCC2)o1 1745319637 GFQQIKANTLGKPV-UHFFFAOYSA-N 463.542 2.409 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccc(C)cc1)N1CCCC1 1748639394 GGJRFTSODSLLFS-ZJOUEHCJSA-N 458.632 2.492 30 10 JEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1748717610 DOXVZCIDCJUPFC-IBGZPJMESA-N 473.599 2.156 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)NC1CCCCC1 1748858205 MYKKWEONAPMDQN-HXUWFJFHSA-N 484.601 2.108 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2c(F)cccc2Cl)CC1 1749010325 QAQXNENCQOQBKP-GOSISDBHSA-N 458.925 2.036 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1CCNS(=O)(=O)c1ccc(C)s1 1749080163 KQQWXNAQFBGUHP-LQBOVUBWSA-N 493.655 2.343 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1749118686 IJWUVVKBTXHACQ-MMTROXRISA-N 493.634 2.020 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1749363847 JFKFEHGAPKRFIS-JBACZVJFSA-N 471.650 2.210 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[C@H](C(=O)NCCC)C1 1749663428 DYYKBRZALHCGDR-IBGZPJMESA-N 476.585 2.176 30 10 JEEE C=CCOc1ccccc1Cn1c(-c2cccn2C)nnc1N1CCN(CC(=O)N(C)C)CC1 1749689289 CAQPUSVNCGERFY-UHFFFAOYSA-N 463.586 2.107 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(C(=O)OC)CC1 1749725632 TVIPILVGXSJNMY-INIZCTEOSA-N 481.550 2.046 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1749725783 ZGZNOUQFMWDPPV-FQEVSTJZSA-N 494.415 2.025 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCC([C@H]3CC3(F)F)CC2)nnc1[C@@]1(OCC)CCOC1 1749739574 GTBMYJPXAFYWTJ-YLJYHZDGSA-N 474.574 2.403 30 10 JEEE CC(C)[C@@](C)(O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1750579802 DUJWTCZXDMVSJX-OFVILXPXSA-N 465.602 2.220 30 10 JEEE C[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(C#N)C1)Oc1ccccc1 1751142583 FLODBZWOPAFMFE-QMHWCDLVSA-N 488.614 2.209 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCN(CCC)C2)c1 1760127295 VQGVQCNKOXGJBL-NRFANRHFSA-N 477.613 2.302 30 10 JEEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CCc1ccc(OC)c(OC)c1OC 1760160695 JYKMYPBLYYPRON-UHFFFAOYSA-N 450.499 2.263 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCCCc1nc(C)cs1)[C@@H]1CCS(=O)(=O)C1 1760187661 DJKPNZOBDPKOOG-GOSISDBHSA-N 473.628 2.093 30 10 JEEE C=C(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN(CC(=O)N(C)C)CC1 1760345572 HYMYGOHNFQDHEQ-UHFFFAOYSA-N 475.638 2.179 30 10 JEEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC2(CC1)C(F)(F)C21CC1 1760445319 GLZQEZBOGNYUKE-HNNXBMFYSA-N 459.563 2.497 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CC(=O)Nc2c(C)cccc2C)C1 1760550434 YGPWXSCRDRWJEH-LJQANCHMSA-N 452.559 2.437 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CC[C@](O)(c2cccc(F)c2)C1 1760556063 UAXXYMIOGJEJEF-HTAPYJJXSA-N 464.563 2.010 30 10 JEEE CCCNC(=O)CCn1c(N2CCO[C@H](c3cccc(C#N)c3)C2)nnc1[C@]1(OCC)CCOC1 1764556746 FDSHURNFCXVCPQ-OFVILXPXSA-N 482.585 2.296 30 10 JEEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2C[C@@H](C)O[C@H](C)C2)CCO1 1770940179 DVFGKIVSIQVYAR-KNKQGSTJSA-N 454.575 2.168 30 10 JEEE Cc1cc(C(=O)N[C@H](Cc2ccccc2)C(=O)Nc2cccc(C#N)c2)cc(S(N)(=O)=O)c1 1867234287 ADGQXEKTXWHFBD-JOCHJYFZSA-N 462.531 2.494 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)COc2cn(CC)c(CSCCO)cc2=O)nc1C 1870226587 JLGSXBVZBOEIMG-UHFFFAOYSA-N 467.569 2.219 30 10 JEEE COc1ccc(Cc2nnc(SCCO)n2/N=C/c2ccc(O)c([N+](=O)[O-])c2)cc1OC 1874239983 JKOYJCHITILULI-CIAFOILYSA-N 459.484 2.467 30 10 JEEE COC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1cc(OC)c(OC)c(OC)c1 1874337631 NHMWNFBJFXMUIG-GQLBNTDBSA-N 491.570 2.176 30 10 JEEE COc1cccc(/C=N/n2c(CNC(C)=O)nnc2SCC(=O)Nc2nccs2)c1OC 1874433257 HEKFBNHSJBLJSX-LSFURLLWSA-N 475.556 2.001 30 10 JEEE CCCNC(=O)CSc1nnc(C(F)(F)F)n1/N=C/c1cc2c(cc1[N+](=O)[O-])OCCO2 1874460847 JEKUTSOJYMEUTP-GZIVZEMBSA-N 474.421 2.477 30 10 JEEE CN1CCN(CC#CCOC2CCN(C(=O)Cc3cc(Br)ccc3F)CC2)CC1 1889406989 MOCOJWWWJGQITO-UHFFFAOYSA-N 466.395 2.389 30 10 JEEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)[C@@H]3CC(=O)N(c4ccccc4)C3)CC2)CC1 1889491594 KWZYPSYLAMXAHI-HSZRJFAPSA-N 466.626 2.077 30 10 JEEE C=CCNC(=O)c1nc(C(=O)N2CCN(c3ccc(N4CCCC[C@@H]4C)nn3)CC2)cs1 1889550791 WYOVXYAVRXTTLQ-INIZCTEOSA-N 455.588 2.190 30 10 JEEE CCN1CCN(CC#CCOC2CCN(C(=O)c3cc(=O)c(OCc4ccccc4)co3)CC2)CC1 1891291227 SMDFFKPCBVEXIF-UHFFFAOYSA-N 493.604 2.481 30 10 JEEE 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(C)(C)C 2080929547 HXGHTSDXWQXJSF-JYJNAYRXSA-N 454.568 2.258 30 10 JEEE C[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 2256626851 OUABVSVLDWSEMR-OLZOCXBDSA-N 452.386 2.233 30 10 JEEE Cc1c(C(=O)NCCCCCNC(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2266996014 MFOPFOGZJKOABK-UHFFFAOYSA-N 450.389 2.453 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CC[S@](=O)(=NC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2267587295 VQLZNYFUUALIDA-BAJJSZBSSA-N 465.381 2.286 30 10 JEEE CC(C)(C)OC(=O)N1CC(F)(CNS(=O)(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2267713950 GJGBJPPJPSKRAE-UHFFFAOYSA-N 470.372 2.223 30 10 JEEE CCOC1(C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)CN(C(=O)OC(C)(C)C)C1 2268653577 OSMRDDYHMOZAKQ-UHFFFAOYSA-N 467.397 2.085 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](NC(=O)c3ccccc3B3OC(C)(C)C(C)(C)O3)CO[C@H]2C1 2281945257 LMQWEIGSKHMQCA-WDSOQIARSA-N 458.364 2.350 30 10 JEEE Cc1c(C(=O)NC[C@@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281990059 ICZYGLGXYKUOHI-HOTGVXAUSA-N 462.400 2.451 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1C[C@@H]2[C@@H](NC(=O)OC(C)(C)C)C[C@H]2C1 2282023331 MMAGRCCVQRJJQT-AIANPOQGSA-N 460.384 2.141 30 10 JEEE Cn1cc(C(=O)N[C@@H]2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)nc1B1OC(C)(C)C(C)(C)O1 2282033117 PBBPUZBQXKTSOP-ARFHVFGLSA-N 460.384 2.095 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CCCN(C(=O)c3ncncc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2282099590 JSPPFEHRVNLGJC-RDJZCZTQSA-N 458.368 2.247 30 10 JEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCN(Cc2ccccc2)C(C)(C)C1 2282330668 COOSHVXPPBYMBZ-UHFFFAOYSA-N 474.436 2.004 30 10 JEEE CN(C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)[C@H](CNC(=O)OC(C)(C)C)C(F)(F)F 2282550745 CUPIVLJZRADNJZ-CYBMUJFWSA-N 476.305 2.247 30 10 JEEE Cn1ncc(C(=O)NC[C@@H]2CCN(C(=O)OC(C)(C)C)C2(C)C)c1B1OC(C)(C)C(C)(C)O1 2282573051 UMZOEYUFAYJPPJ-HNNXBMFYSA-N 462.400 2.485 30 10 JEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CN(Cc3ccccc3)C3(CCC3)C2)n1 2282620670 IEYBYNYVYNZGKK-GOSISDBHSA-N 451.380 2.041 30 10 JEEE CC1(C)OB(c2c[nH]c(C(=O)N3CC[C@H]4OCCN(Cc5ccccc5)[C@@H]4C3)c2)OC1(C)C 2282622763 KRYVBKKWLZKRNR-FGZHOGPDSA-N 451.376 2.429 30 10 JEEE C[C@@H]1CN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C[C@@H](C)N(C(=O)OC(C)(C)C)C1 2282624498 MMYWFIWNUMWMAZ-HZPDHXFCSA-N 460.384 2.493 30 10 JEEE CC1(C)OB(c2csc(S(=O)(=O)N3C[C@H]4CC[C@H]3[C@@H](NC(=O)C(F)(F)F)C4)c2)OC1(C)C 2282851661 FHRLAOBMPDRLKF-UBHSHLNASA-N 494.366 2.267 30 10 JEEE CN(CCOCCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1O)C(=O)OC(C)(C)C 2282974920 KCNSQELSZYFSLN-UHFFFAOYSA-N 464.368 2.305 30 10 JEEE COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1NC(=O)[C@@H]1C[C@H](O)CN1C(=O)OC(C)(C)C 2283953836 YADSATWXASHARG-RDJZCZTQSA-N 462.352 2.303 30 10 JEEE C[C@@H](C(=O)N[C@H]1CCC=C1B1OC(C)(C)C(C)(C)O1)N1CCN(C(=O)OC(C)(C)C)CC1=O 2284069541 SXQSLHIYOZNWIM-RDJZCZTQSA-N 463.384 2.291 30 10 JEEE Cn1cc(C=Nn2c(SCC(N)=O)nnc2[C@H]2CC(=O)N(C(C)(C)C)C2)c2ccccc21 2327842669 YHQRNDCQIKUMPY-AWEZNQCLSA-N 453.572 2.344 30 10 JEEE COc1cc(OC)c(OC)cc1C=Nn1c(SCCO)nnc1[C@H]1CC(=O)N(C(C)(C)C)C1 2327906560 CIUYZJSIGQIAST-HNNXBMFYSA-N 477.587 2.385 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)n1C 2362338116 CIOWMBZIPWWKHB-CVEARBPZSA-N 462.400 2.451 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1 2362339170 WLLHQLJYNCMRRN-HSZRJFAPSA-N 462.400 2.486 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)[C@H](C)n3cnc4sc(C(N)=O)c(C)c4c3=O)cc21 19978283 OTYZDLQOHDOOSY-LBPRGKRZSA-N 452.492 2.221 30 10 JEEE COc1cc(/C(C)=N\Nc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])cc(OC)c1OC 33683474 RKXMMDAOSOYDDI-HMAPJEAMSA-N 494.526 2.478 30 10 JEEE CCOC(=O)C1CCN(c2nc3c(c(=O)[nH]2)[C@@H](c2ccc(SC)cc2)[C@@H](C#N)C(=O)N3)CC1 72444688 GLDQICPTKOLHPQ-SJORKVTESA-N 467.551 2.495 30 10 JEEE NC(=S)N1N=C(c2ccccc2)/C(=N\Nc2ccc(S(=O)(=O)O)c3ccccc23)C1=O 105571815 XTRVAJGMQICHTL-PTGBLXJZSA-N 453.505 2.345 30 10 JEEE CCCCCCCCO[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 248274622 RNGLREVZONTJLS-LLVBAIKDSA-N 460.520 2.447 30 10 JEEE in-vitro COc1ccc(CCn2c(NN=Cc3ccc(N(C)C)cc3)nc3c2c(=O)n(C)c(=O)n3C)cc1 254521595 KFGKBTHWOKWZIH-UHFFFAOYSA-N 475.553 2.197 30 10 JEEE N#CC(C(=O)N1CCCC1)=c1sc(=Cc2cccc(F)c2F)c(=O)n1Cc1ccccc1 609350241 FEESEOOLDUTKRQ-UHFFFAOYSA-N 451.498 2.362 30 10 JEEE C#Cc1cccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2[C@@H]2CCN3CCC[C@H]3C2)c1 730443971 TUANIBLKYUATHO-BHDDXSALSA-N 467.639 2.294 30 10 JEEE C#Cc1cccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2[C@@H]2CCN3CCC[C@@H]3C2)c1 730443976 TUANIBLKYUATHO-YPAWHYETSA-N 467.639 2.294 30 10 JEEE C=CCN(Cc1cccc([N+](=O)[O-])c1)CN1C(=O)N[C@@](C)(c2ccc(S(C)(=O)=O)cc2)C1=O 745155261 MEHURNLLXNZTMP-QFIPXVFZSA-N 472.523 2.411 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)O[C@@H](C)C(=O)NCCc3ccc4c(c3)OCCO4)cc2C1=O 853260694 DRIGADVFELYIMT-HNNXBMFYSA-N 464.474 2.144 30 10 JEEE Cc1nn(CCO)c(C)c1C=NNc1nc(SCC(=O)N[C@@H]2CCCc3ccccc32)n[nH]1 1084062044 CPLPSNZJVQPTLR-LJQANCHMSA-N 468.587 2.342 30 10 JEEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)n1 1189895927 FJISOBREIHCEGZ-UHFFFAOYSA-N 457.306 2.024 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CC3)n2C[C@@H]2CCCS(=O)(=O)C2)c1 1286312730 ZDXOINVCEIGNPM-IBGZPJMESA-N 455.584 2.112 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1CCCN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1286387418 QVDRLTSEXJQWKX-HXUWFJFHSA-N 471.627 2.456 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@H](CC(C)C)NC(=O)OCC)[C@@H]1CCS(=O)(=O)C1 1286387928 WUQXHJGSNJTLNS-RBUKOAKNSA-N 490.630 2.071 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1ccc(C[S@@](C)=O)cc1)[C@H]1CCS(=O)(=O)C1 1286388953 DCEQWNZPKBWGJF-AUSOSSAASA-N 497.646 2.202 30 10 JEEE C#CCN(c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@H]1CCC(=O)N1)[C@@H]1CCS(=O)(=O)C1 1286394392 IXIGYBIAWZQJSU-WOJBJXKFSA-N 499.637 2.060 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@H](C)N(C)Cc1ccccc1 1286408831 FQIDBPGQMIYQJD-RBBKRZOGSA-N 453.612 2.164 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1286816427 IWCJXNNRPDDQAH-JOCHJYFZSA-N 474.562 2.171 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(c2ccccc2C#N)CC1 1286820570 NJABCEZBWKXKKP-OAQYLSRUSA-N 470.599 2.319 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N(CC)C[C@@H]1COc2ccccc2O1 1286820618 OKRVKCVEAJNICM-QZTJIDSGSA-N 462.572 2.049 30 10 JEEE C[C@H](CNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)Oc1ccccc1Br 1294406175 FCUHQXCIQMCMNQ-CYBMUJFWSA-N 452.330 2.183 30 10 JEEE CCOc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H](C(C)C)N2CCOCC2)cc1OC 1296762931 CFGPIEWVOGDHGY-RTWAWAEBSA-N 484.601 2.438 30 10 JEEE C#CCCCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1300366982 UTJQILOYWNKSNG-UHFFFAOYSA-N 472.540 2.124 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@H]1CCCN1S(C)(=O)=O 1300560696 HQXSMEDQRLDGBN-HXUWFJFHSA-N 477.594 2.222 30 10 JEEE C#CCN(CC#CC)c1nnc(COc2cc(C)cc(C)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1300591581 UDCZZMOYSHBYMU-OAQYLSRUSA-N 469.611 2.218 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)NCCC)CC1 1300863438 OEXGOIWQDCSZTN-PMACEKPBSA-N 458.607 2.238 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1300873848 HTRVROLFDVHXNH-PZJWPPBQSA-N 470.599 2.316 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1Cc2ccccc2O1 1300915282 MCUXOUPDWBGKHD-AZUAARDMSA-N 461.588 2.017 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(OCCC(C)C)CC1 1300952073 HXQAGAQOMWLHLM-IBGZPJMESA-N 455.625 2.219 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCNC(=O)c2ccc(C)cc2)C1 1301536438 WINIIVAOSCXJDL-HXUWFJFHSA-N 475.553 2.445 30 10 JEEE CO[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2cnn(C)c2)CC1)C(C)C 1315227383 HUORLEHDJDZCIY-JOCHJYFZSA-N 464.574 2.460 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCCN2CCC)c1 1358900727 RCIUIAIEPHKMNX-QFIPXVFZSA-N 477.613 2.445 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1CCc1ccc(OC)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1358961456 ZNSFCCFYHOOVEG-GOSISDBHSA-N 471.558 2.301 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1Cc1ccccc1-n1cccn1)[C@H]1CCS(=O)(=O)C1 1358963604 KWMLLTFLWYDCBK-FQEVSTJZSA-N 452.584 2.337 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H](C)Oc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1358965633 YOISITXUVOGTPV-WIYYLYMNSA-N 483.569 2.497 30 10 JEEE C#CCN1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCN(C(C)C)C(C)C)CC1 1359034185 GZHDBLFMXMYRAH-UHFFFAOYSA-N 462.602 2.468 30 10 JEEE C#CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1359052552 IWWYCEJJBGWWNC-IBGZPJMESA-N 498.653 2.119 30 10 JEEE C=C(C)COCCn1c(Cc2ccccc2OC)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1359135030 QBQVYIVTETWNFA-UHFFFAOYSA-N 465.558 2.057 30 10 JEEE C=C(Cl)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1359144321 FHVOVIOQJTZZEJ-MGPUTAFESA-N 452.964 2.485 30 10 JEEE C=CC[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC[C@H]1C)c1ccccc1 1359195490 NKJVIHWRGYFEIB-NRSPTQNISA-N 475.615 2.196 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCS(=O)(=O)C1 1359254534 UYIZSCFIQMLGFI-IBGZPJMESA-N 473.599 2.150 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCOC2)n1CCN1CCCS1(=O)=O 1359255404 XCCJKWIREZRCJX-LJQANCHMSA-N 461.588 2.019 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCS(=O)(=O)C(C)(C)C)C1 1359314775 HPNMRNQGAZIUGV-SFHVURJKSA-N 496.655 2.343 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@H](C)[C@@H]1C 1359328225 XIKJLJUOMFPGPA-RDJZCZTQSA-N 480.660 2.382 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1359329231 CGFQYALLPZSCJW-HOTGVXAUSA-N 470.910 2.453 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1C[C@@H](C1CC1)N(C)C 1360229891 DOZFLBSLIJFISP-QHCPKHFHSA-N 478.645 2.340 30 10 JEEE C#CCN1CCCN(C(=O)c2cc(S(=O)(=O)NCC(C)C)ccc2Br)CC1 1465278670 UHLZZSJSQXIGPS-UHFFFAOYSA-N 456.406 2.165 30 10 JEEE CC[C@@H](C)NC(=O)[C@H]1CSCN1S(=O)(=O)c1cc(Br)c(C#N)cc1F 1474799961 AKVJINDAXDTDCI-NOZJJQNGSA-N 450.355 2.438 30 10 JEEE CCN1CCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1502284781 IDFKFVGHEMTYCT-OAQYLSRUSA-N 471.631 2.161 30 10 JEEE CNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCCCC2)CC1 1503767576 DPUVHKWVCRSMCS-UHFFFAOYSA-N 451.575 2.177 30 10 JEEE N#Cc1ccc(OCc2nnc(N3CC[C@@H](C(N)=O)C3)n2CCOc2ncccc2Cl)cc1 1505317697 BADZZWOJKLPDCQ-MRXNPFEDSA-N 467.917 2.168 30 10 JEEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H](C)N1CCN(CC)CC1 1507622875 NZJILPRMUPQTJP-AQNXPRMDSA-N 459.639 2.144 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(OC)c(OC)c1OC 1507636304 BMIBGOIHTAGKRX-UHFFFAOYSA-N 460.494 2.072 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cccc(C2OCCO2)c1 1507661284 RABITLOOUAEVIK-RUZDIDTESA-N 450.539 2.487 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3CC)n2CCCN2CCOC2=O)CC1 1507732446 NENZHOLIAOFSDI-UHFFFAOYSA-N 452.559 2.017 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H](CC)NC(=O)OC(C)(C)C)CC1 1507739147 NKUPCLMGTVEUPQ-VQTJNVASSA-N 488.633 2.441 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCCCc2ccccc2)CC1 1507741197 XFAOKPAEXSNQBA-UHFFFAOYSA-N 462.598 2.389 30 10 JEEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1507779779 RHDCCBVBWQYNOY-CHWSQXEVSA-N 484.317 2.416 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1507800995 QUDWLKACJDYJLD-HBFSDRIKSA-N 485.589 2.446 30 10 JEEE C=CCCOCCn1c(Cc2ccccc2F)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1507964788 KRTKVVUFSDVCPU-NRFANRHFSA-N 470.549 2.367 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@]1(O)CCS(=O)(=O)C1 1508017196 KYHYCCHZHYAKCD-MBSDFSHPSA-N 495.646 2.121 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1508107010 XEAZOCQPOXHHTP-NHCUHLMSSA-N 455.559 2.414 30 10 JEEE Cc1ccc(C(=O)NCCn2c(C(=O)Nc3ccccn3)nnc2N2CC[C@](F)(C#N)C2)cc1 1510694543 FBWSVAXVVWBMHK-QHCPKHFHSA-N 462.489 2.106 30 10 JEEE CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCS(=O)(=O)C2)C[C@H]1C 1515922656 CFPHTAXFPKLZSE-QUCCMNQESA-N 472.615 2.084 30 10 JEEE C#CC[C@]1(C(=O)NCCNS(=O)(=O)c2ccc(C)s2)CCCN1C(=O)OC(C)(C)C 1527441020 FFDWBVBXFGIGAB-HXUWFJFHSA-N 455.602 2.244 30 10 JEEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(c2nccnc2C)CC1 1539125436 MBDORXIGWXXEBC-FQEVSTJZSA-N 496.616 2.425 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CCC=CO1)[C@H]1CCS(=O)(=O)C1 1539205202 GDUAMYUDILXVDG-IRXDYDNUSA-N 494.415 2.366 30 10 JEEE C#CCN(c1nnc(CC2CCCC2)n1Cc1ccc(N(C)C)nc1)[C@H]1CCS(=O)(=O)C1 1539226019 SLWZGTCGVYTVDD-FQEVSTJZSA-N 456.616 2.147 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2cc(Cl)c3c(c2)OCCO3)CC1 1539490643 YCASJASAGGEPDR-UHFFFAOYSA-N 473.961 2.253 30 10 JEEE C=C(Br)Cn1c(-c2cccn2C)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1539586062 GUHVKEABOMONCH-UHFFFAOYSA-N 471.363 2.013 30 10 JEEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1539613043 SWSOWPUXKMTEDO-RBUKOAKNSA-N 483.455 2.269 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)Nc1ccc(C)cc1 1539751558 PITNPDHNOMDZCN-SFHVURJKSA-N 461.588 2.156 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2CCCNC(C)=O)C1 1540884902 XMQUGWBTWCTTAO-INIZCTEOSA-N 451.369 2.354 30 10 JEEE C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCNS(C)(=O)=O)N(C)C(=O)OC(C)(C)C 1541840077 CHQANGGFOCMLSJ-INIZCTEOSA-N 491.618 2.058 30 10 JEEE CN(CCC1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1CCN1CCCS1(=O)=O 1554268357 FIMFFUSZSLOCPE-UHFFFAOYSA-N 458.588 2.105 30 10 JEEE C#CCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 1587823793 ZDEVCKYECWNSQY-OAQYLSRUSA-N 470.599 2.107 30 10 JEEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCOCC(F)(F)C(F)F 1587984845 MLENCQAHGWUOSW-UHFFFAOYSA-N 455.460 2.439 30 10 JEEE C#CCN(c1nnc([C@H]2COc3ccccc3O2)n1CCOCC(=C)C)[C@@H]1CCS(=O)(=O)C1 1588059429 NYRGWCXQCXUARI-WIYYLYMNSA-N 472.567 2.010 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1cc(F)cc(OC)c1)[C@H]1CCS(=O)(=O)C1 1588064459 IKJNTJBDRVWXMX-FQEVSTJZSA-N 469.542 2.087 30 10 JEEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1C[C@H](OC)[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1588064512 JKFBCPWGHPOVJD-TYPHKJRUSA-N 484.626 2.204 30 10 JEEE C#CCN(c1nnc(CCOc2ccccc2)n1Cc1ncccc1N(C)C)[C@@H]1CCS(=O)(=O)C1 1588069892 UQCNKIFJBCFHOC-HXUWFJFHSA-N 494.621 2.036 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CC(C)(C)c1ccc2c(c1)OCCO2 1588638811 XCBOGUGSZDSJOB-GOSISDBHSA-N 453.543 2.064 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2Cc2ccc(C)cc2OCCOC)CC1 1588848677 KRYOOWPEUBSPHP-UHFFFAOYSA-N 460.582 2.401 30 10 JEEE C=CCCOCCn1c(-c2cccc(OC)c2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1594788637 QLANXMNLSXTFJQ-HXUWFJFHSA-N 468.558 2.313 30 10 JEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1595405419 OEVQMVFTNZBXOS-SFHVURJKSA-N 498.650 2.023 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C)(c2ccc(C)cc2)CC1 1595477428 UZKRKXTZRLBESE-GOSISDBHSA-N 474.631 2.057 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H]3CCCCO3)nnc2N2CCO[C@@H](CNC(C)=O)C2)cc1 1595614624 YEJNCPKNLVTJEB-VXKWHMMOSA-N 455.559 2.474 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1ccc(C(C)(C)O)cc1 1611696304 FKZQUWXVTPNHJE-OPAMFIHVSA-N 460.604 2.294 30 10 JEEE CCOC(=O)N[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cnn(C)c2)C1 1616027019 HRXZJLWAKBEIRT-IBGZPJMESA-N 464.530 2.225 30 10 JEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(OCC(F)(F)F)cn3)CC2)cc1 1624061693 CNBSGMVMGPLOCT-UHFFFAOYSA-N 454.430 2.041 30 10 JEEE C#CCNS(=O)(=O)c1cccc(C(=O)NCC(=O)c2ccc(Br)c(F)c2)c1 1648241374 LOBFDPQMKMXXMK-UHFFFAOYSA-N 453.289 2.112 30 10 JEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCc2ccc(CN3CC[C@@H](O)C3)cc2)cc1 1667321672 CMQPWKSABBZHSY-OAQYLSRUSA-N 458.584 2.381 30 10 JEEE CC(C)N1CCC(N2CCN(S(=O)(=O)c3cc(Br)ccc3C#N)CC2)CC1 1668134299 FECOMLMVQKKQMH-UHFFFAOYSA-N 455.422 2.500 30 10 JEEE N#Cc1sc(NC(=O)NCc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)nc1Cl 1672680106 FOEFCNQVGWUZEI-LBPRGKRZSA-N 455.949 2.447 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1CNC(=O)N1C[C@H]2C[C@H](NC(=O)OC(C)(C)C)C[C@@]2(C(=O)OC)C1 1686315631 UIIQOMYNOGYAQE-CLJNILSWSA-N 451.564 2.456 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1CCN1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1689997269 ZAFZGTKUPNYGDE-VQTJNVASSA-N 489.617 2.355 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 1690144370 WLZOHMSLXOULCB-LJQANCHMSA-N 494.600 2.100 30 10 JEEE C#CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1690165693 HHYFJNJTJQWJGI-UHFFFAOYSA-N 498.653 2.073 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1690236332 LJYRJDXZKCEWIQ-NQIIRXRSSA-N 457.579 2.440 30 10 JEEE C=C(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(CC(=O)NCCOC)CC1 1690279691 YJNVNWCZIXILQU-UHFFFAOYSA-N 450.946 2.198 30 10 JEEE C=C(C)COCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](OC)C1 1690312872 FHPXEPAUWLLZCP-QZTJIDSGSA-N 451.568 2.404 30 10 JEEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1690361183 JSQHCIOHHXTQSR-RDJZCZTQSA-N 462.016 2.005 30 10 JEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccc1[N+](=O)[O-] 1690485295 OZBYFUGTJZFBNL-SFHVURJKSA-N 464.548 2.122 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCN(c2ncccc2C#N)CC1 1690673387 UYBORBJXBVYYNV-UHFFFAOYSA-N 456.554 2.073 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1690724953 ZGVTXUIRILFACJ-HXUWFJFHSA-N 491.589 2.222 30 10 JEEE Cc1nc(N2CCOCC2)sc1-c1nnc(N2CCO[C@H](C#N)C2)n1CCC(C)(F)F 1692911701 CQIFIPCLXKVFFU-CQSZACIVSA-N 453.519 2.321 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1CCOC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1705562450 CKGBEQGDLLEXRG-IHPCNDPISA-N 488.610 2.262 30 10 JEEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](c2ccccc2)N(CC)CC)CC1 1705641308 ABBQVXFQVJKDCW-HSZRJFAPSA-N 463.630 2.239 30 10 JEEE C#CCN1CCN(c2nnc(CC3CCCC3)n2CCS(=O)(=O)Cc2ccccc2)CC1 1705641354 BWNQSSDKOCPVMU-UHFFFAOYSA-N 455.628 2.381 30 10 JEEE C=C(Br)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1705679661 VMYUFCLZXWVCOJ-HXUWFJFHSA-N 493.793 2.487 30 10 JEEE C=C(Br)Cn1c(COCC)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1705691388 WMXRXADBPGFBPP-UHFFFAOYSA-N 452.313 2.353 30 10 JEEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cccc(N2CCOCC2)n1 1705843558 IPJASXJGZHARRD-FQEVSTJZSA-N 499.616 2.489 30 10 JEEE C=CCNC(=O)Cn1c(N2CCO[C@@H](c3cccc(Cl)c3)C2)nnc1[C@]1(OCC)CCOC1 1705908580 DIXHUWPUZXYVIP-XXBNENTESA-N 475.977 2.464 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1705912264 FBCXKDMGFHYQKM-ZWKOTPCHSA-N 485.614 2.229 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2CCC(=O)N2CCOCC2)C1 1705917020 QCYRJZDQMCCDNZ-QGZVFWFLSA-N 493.406 2.076 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1705932598 WGXNCLSUMWQOFQ-OAQYLSRUSA-N 464.551 2.390 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC(Cn2cc(C)cn2)CC1 1705936643 VPKZGOKACXVVOC-FQEVSTJZSA-N 462.620 2.194 30 10 JEEE C=CCSCCn1c(N2CCN(C(=O)[C@@H]3CCCO3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1705949797 JONTYECNZKYSPC-CVDCTZTESA-N 479.647 2.066 30 10 JEEE CC(C)Cc1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CCC(=O)N1CCOCC1 1706414130 DDPGYJFLMPAVQI-UHFFFAOYSA-N 465.602 2.314 30 10 JEEE C[C@H](CN1CCOCC1)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@](F)(C#N)C1 1706821213 HZOXAJNWGQQBRY-UZUQRXQVSA-N 489.983 2.272 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2sccc2C)c1 1722304868 JTPAQUAZRSEMKX-INIZCTEOSA-N 486.623 2.363 30 10 JEEE C#CCSCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN2C(=O)CC[C@H]2C1 1722455548 SRSNQPGHAUUTPM-KRWDZBQOSA-N 471.583 2.148 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCS(=O)(=O)C1 1722512297 DNNMNFREXMEBLZ-INIZCTEOSA-N 456.572 2.029 30 10 JEEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1722607585 DWUYDLIRIYBHKX-IBGZPJMESA-N 480.617 2.461 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC(C(N)=O)CC1 1722702085 KKLNYAHJWSMMRJ-UHFFFAOYSA-N 454.575 2.159 30 10 JEEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(F)(F)c1ccccc1 1723777993 CLSOSNWFMAUCJV-WBVHZDCISA-N 468.530 2.141 30 10 JEEE CC[C@@H](C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@H]1CCCS(=O)(=O)C1 1727002586 GDLXBEHFHIUAJX-IEBWSBKVSA-N 457.604 2.210 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@](C)(O)c2cccs2)c1 1740563315 SJHFQTOUYJGGPA-DEOSSOPVSA-N 480.594 2.442 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2CCS(=O)(=O)CC2CC2)c1 1740564086 AKBRBIYONDSMMS-HXUWFJFHSA-N 485.610 2.053 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(O)CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1740618986 FDYKUHGWHCKRKZ-RDPSFJRHSA-N 467.595 2.385 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@]2(OC)CCOC2)CC1 1740692258 HPYXOVAJZWEAKP-OAQYLSRUSA-N 460.376 2.268 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCCN2C[C@@H](C)C[C@H](C)C2)CC1 1740704617 PZHJTJKROIYIRP-PMACEKPBSA-N 466.634 2.012 30 10 JEEE C=CCCOCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCS(=O)CC1 1740884527 DNASZKCTZNOHGE-UHFFFAOYSA-N 470.599 2.397 30 10 JEEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1C[C@H](C)C[C@@H]1c1cccc(OC)c1 1740963616 QTBVUQNOJKBIGG-YLJYHZDGSA-N 452.559 2.299 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1740969352 XTARSSHSTDSVAH-SFHVURJKSA-N 482.566 2.162 30 10 JEEE Cc1cccc(OCc2nnc(N(CCC#N)CC3CC3)n2CC2(O)CCS(=O)(=O)CC2)c1 1742353179 DGTCUHMUUVZLMU-UHFFFAOYSA-N 473.599 2.235 30 10 JEEE CNC(=O)[C@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2C[C@H](C)O[C@H](C)C2)C1 1748132928 FAGPGXSPRSGLRG-HHJKRLRDSA-N 465.602 2.278 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H](C)CN1CCN(CC)CC1 1748666414 AFYXEELMGJYOBN-MOPGFXCFSA-N 462.602 2.325 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H]1CC(=O)N(CCOC)C1 1748668352 JKPNXTGFANCAIW-MOPGFXCFSA-N 488.633 2.345 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CC=CCC2)c1 1748691925 OUXZTCRJWQSLQK-HKUYNNGSSA-N 470.599 2.301 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCC(=O)NC1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1748808173 AOLSAJUSJPILFS-JOCHJYFZSA-N 494.621 2.282 30 10 JEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1CCCCCO)[C@H]1CCS(=O)(=O)C1 1748818294 ADJABHAYFLIGQS-IBGZPJMESA-N 450.992 2.312 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(c2cccc(OC)c2)CC1 1748864303 UYMLLYSULJGRTK-GOSISDBHSA-N 455.584 2.092 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(Br)cc2Cl)n1Cc1nnn(C)n1 1748953217 HRWZRNDAULYLKG-UHFFFAOYSA-N 465.743 2.019 30 10 JEEE C#CCSCCn1c(COc2ccc(C)cc2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1749046620 CZAKEOCKORLOQN-DEOSSOPVSA-N 482.610 2.346 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C(N)=O)nc1 1749546567 ASMYFRLNSKYAPX-SFHVURJKSA-N 484.557 2.054 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)OCCOC)nnc1N1CCC2(CC1)OCc1ccccc12 1749653051 VEEOATSMIKKDQK-GOSISDBHSA-N 455.559 2.330 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1CCC=C(Br)C1 1749721423 JKJYUMBZDDADHL-UHFFFAOYSA-N 474.425 2.286 30 10 JEEE N#CC1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CC(=O)NCC(F)(F)F)CC1 1750385176 DYRCYAWSBDGOIV-UHFFFAOYSA-N 450.421 2.135 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCn1ccc2ccccc21 1760118076 XRVPKXVMIOLYOQ-WIYYLYMNSA-N 470.599 2.114 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@](C)(O)C2CC2)c1 1760127933 RBNNAWPFHCXGCS-KDSXSNECSA-N 467.570 2.219 30 10 JEEE C#CCCCCn1c(Cc2ccncc2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1760139857 RKIVYHKBPAQNSS-DEOSSOPVSA-N 465.646 2.299 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1CCCSCC)[C@@H]1CCS(=O)(=O)C1 1760183588 BWNKDWUEMKTUMF-GOSISDBHSA-N 476.624 2.486 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)SC 1760249173 ISDMNGGJDWOQIV-IAGOWNOFSA-N 453.609 2.424 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1760307866 WWHCMPHPAABSGS-MRXNPFEDSA-N 466.384 2.484 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)CCS(=O)(=O)CC 1760336032 ULAWJYYENSABRM-OXQOHEQNSA-N 486.598 2.446 30 10 JEEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2cc(OC)cc(OC)c2)CC1 1760346256 PSCXMKJWESOBSP-IBGZPJMESA-N 475.615 2.096 30 10 JEEE C=CCCCn1c(N2CCCN(CC(=O)N3CCCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1760444762 PZOPBLCOHWPJMC-RUZDIDTESA-N 474.650 2.419 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNC(=O)C(C)C 1760487082 IZJJTTPXHZKZGO-INIZCTEOSA-N 451.618 2.207 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1760527682 FKKXEPOBVDPDQR-UHFFFAOYSA-N 496.543 2.471 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N1CCN(c2ccccc2)CC1 1761409695 DHJFCXRPNUEENS-PWRODBHTSA-N 485.658 2.129 30 10 JEEE CCn1cc([C@@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCN(C)CCOC)CCO2)cn1 1766933504 FNSBPHDNGFNPDY-QFIPXVFZSA-N 464.574 2.189 30 10 JEEE COCCN1C[C@@H](Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N2CCO[C@H](C#N)C2)CC1=O 1769883432 AINUXBJZEBNBGB-SIKLNZKXSA-N 496.612 2.378 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N(C)[C@H](C)CS(C)(=O)=O 1772659883 PDNGLOGGUWSDMM-CYBMUJFWSA-N 478.999 2.208 30 10 JEEE C=CCOC(=O)NS(=O)(=O)c1ccc(CCNC(=O)COc2ccc(OCC)cc2)cc1 1859010952 IKXQIVLOPHHFSE-UHFFFAOYSA-N 462.524 2.424 30 10 JEEE Cn1cccc(C(=O)N2CCN(Cc3cccc(C(=O)Nc4ccc(C#N)cc4)c3)CC2)c1=O 1860880208 JVGOSXQXWIGAJG-UHFFFAOYSA-N 455.518 2.467 30 10 JEEE CCCOc1ccc(/C=N/Nc2cnn([C@@H]3CCS(=O)(=O)C3)c(=O)c2Cl)cc1OC 1873528922 KGQNFARRESVWKF-YVJZOELXSA-N 454.936 2.500 30 10 JEEE C=CCn1c(C(=O)NCCN2CCOCC2)cc2c(N3CCN(Cc4ccccc4)CC3)ncnc21 1873594526 VJTBJTAHORYSIS-UHFFFAOYSA-N 489.624 2.002 30 10 JEEE COc1ccc(/C=N/n2c(CNC(C)=O)nnc2SCC(=O)Nc2ccccc2)cc1O 1874431278 PAYBISNNGCVSSH-FOKLQQMPSA-N 454.512 2.241 30 10 JEEE COc1cc(/C=N/n2c(CNC(C)=O)nnc2SCC(=O)Nc2ccccc2)cc(OC)c1O 1874432061 MQMCWXLLBQGNOA-BHGWPJFGSA-N 484.538 2.250 30 10 JEEE CN1CCN(CC#CCOC2CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)CC1 1890424601 IKDNOIFVJDNBNW-UHFFFAOYSA-N 460.427 2.414 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CCN(S(=O)(=O)c2cncc(C#N)c2)CC1 1965811624 LGGVXVGEKWPZFH-UHFFFAOYSA-N 495.602 2.432 30 10 JEEE CC1(C)OB(c2cnc(NC(=O)C(F)(F)CNC(=O)OCc3ccccc3)nc2)OC1(C)C 2010402152 MYCHBEPYNBPEDH-UHFFFAOYSA-N 462.262 2.276 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)N1C[C@@H](O)C[C@@H](NC(=O)OC(C)(C)C)C1 2060127261 GTQFJUYRPRTUBT-IKGGRYGDSA-N 454.568 2.450 30 10 JEEE CC(C)(C)OC(=O)NC1(CNS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)CC1 2247902677 XBVQBESQJCMYBA-UHFFFAOYSA-N 458.411 2.383 30 10 JEEE Cn1nc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2255654860 FDFJGILNXVSGDG-UHFFFAOYSA-N 454.764 2.066 30 10 JEEE C[C@@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)[C@H](C)[C@@H]1NC(=O)C(F)(F)F 2267155644 WVOISGGOMLXOHC-JTNHKYCSSA-N 461.315 2.360 30 10 JEEE CCN(C(=O)OC(C)(C)C)C1CN(S(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267377375 DYPSWLQLDAOVEE-UHFFFAOYSA-N 467.397 2.011 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](NS(=O)(=O)Cc2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2267412053 HQLINXFZSJVWKL-KRWDZBQOSA-N 466.409 2.415 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](NS(=O)(=O)Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2267468024 ROSJHQJHKYYODG-HDICACEKSA-N 466.409 2.461 30 10 JEEE C=C(CS(=O)(=O)NC[C@]12CN(C(=O)OC(C)(C)C)C[C@H]1CCO2)B1OC(C)(C)C(C)(C)O1 2267471138 QIUFKGNIKATHPV-IERDGZPVSA-N 472.413 2.119 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C[C@H]1CCO 2267590235 MJHYZJKEKGFFBY-OAHLLOKOSA-N 466.409 2.491 30 10 JEEE CS[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2267598082 YXGGYDLVXBOXKM-DLBZAZTESA-N 463.409 2.462 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1F 2268705049 FXZVYBFUVFROHA-AWEZNQCLSA-N 456.295 2.478 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1)[C@@H](O)C(F)(F)F 2268719105 YOFFOLSDXLDPSK-GHMZBOCLSA-N 481.302 2.197 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)c2F)C1 2268796158 CYPNHYWLTREXER-QFIPXVFZSA-N 450.316 2.435 30 10 JEEE COc1ccc(C(=O)N[C@@H]2COC[C@@H]2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2281937367 YXDULPFUXSXYCG-MSOLQXFVSA-N 462.352 2.016 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2CN(C(=O)[C@H]3C[C@H](B4OC(C)(C)C(C)(C)O4)C3)CCN2C1=O 2281951998 QFABEZCIYCAQSX-QBPKDAKJSA-N 463.384 2.195 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC([C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 2282052200 LTKHXPWDSHZCIW-HNNXBMFYSA-N 460.384 2.048 30 10 JEEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1CCN(Cc2ccccc2)C1(C)C 2282188556 XKSGBYLPHBNDCI-GOSISDBHSA-N 453.396 2.145 30 10 JEEE CC(C)(C)OC(=O)N1[C@H](CNC(=O)c2occc2B2OC(C)(C)C(C)(C)O2)C[C@@H]2COC[C@@H]21 2282528880 YHVUTOANPKDIIZ-VYDXJSESSA-N 462.352 2.333 30 10 JEEE Cc1c(C(=O)N2C[C@H]3C[C@H]2CN(Cc2ccccc2)C3)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282558426 BRSZBYRZSQKSNH-PMACEKPBSA-N 450.392 2.374 30 10 JEEE CC(C)(C)OC(=O)N1CC2(CC[C@@H](C(=O)Nc3ccc(B4OC(C)(C)C(C)(C)O4)cn3)O2)C1 2284051880 BEMVURHOCOBSPM-INIZCTEOSA-N 459.352 2.488 30 10 JEEE Cc1cc(CNC(=O)[C@@H]2C[C@H](O)CN2C(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2289463623 MECQMOHKTMWOBC-HKUYNNGSSA-N 460.380 2.281 30 10 JEEE CN(C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CN(C(=O)OC(C)(C)C)CC1(C)C 2289953752 HMQWRCSQJDDXJI-OAHLLOKOSA-N 460.384 2.493 30 10 JEEE COc1ccc(CNC(=O)[C@@H](CNC(=O)OC(C)(C)C)OC)cc1B1OC(C)(C)C(C)(C)O1 2296176234 JFRHDRJEEZJZTR-GOSISDBHSA-N 464.368 2.150 30 10 JEEE COCCc1nnc(SCC(N)=O)n1N=Cc1cc(Br)c(OC(C)C)c(OC)c1 2331260189 NXYOSRNTGGLKPM-UHFFFAOYSA-N 486.392 2.485 30 10 JEEE COc1nc(O[C@H]2COCC[C@@H]2NC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2339835930 VPNZAOZRHGHIDD-HOTGVXAUSA-N 450.341 2.450 30 10 JEEE C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(F)c(F)cc1B1OC(C)(C)C(C)(C)O1 2351768688 ASXDUANAIXJIAD-BDJLRTHQSA-N 456.295 2.477 30 10 JEEE N#Cc1c(NC(=O)CSc2nnc(N/N=C/c3cccnc3)n2N)sc2c1CCCC2 20292686 NSMKETHXDRXGBY-AUEPDCJTSA-N 453.557 2.376 30 10 JEEE COCCn1cc(/C=N/Nc2nc(SCCC(=O)Nc3cccc(N4CCCC4=O)c3)n[nH]2)cn1 59887247 VFHQZSLVCYWAHI-YDZHTSKRSA-N 497.585 2.341 30 10 JEEE Cc1ccc([C@@H]2/C(=C(/O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN2CCOCC2)o1 111279352 DPNGPUSRVSFSSW-SADKCHQCSA-N 454.479 2.113 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)[C@H](C)[S@](=O)CC(=O)Nc3ccc4c(c3)OCO4)cc21 586315149 NPXRVLAMHSCEPY-RPLXOIEJSA-N 470.503 2.285 30 10 JEEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2cnn(-c3ccc(F)cc3)c2)c(=O)n1Cc1ccccc1 728557915 VBWMOVLLNQRWJQ-UHFFFAOYSA-N 485.544 2.065 30 10 JEEE C#CCN(C(=O)Cc1c(C)nn(-c2ccc(C(F)(F)F)cn2)c1C)[C@H]1CCS(=O)(=O)C1 729334224 KQWLVGSWPBNZJT-INIZCTEOSA-N 454.474 2.094 30 10 JEEE COc1ccc(OC)c(NC(=O)CSc2nnc(NN=C(C)c3ccc4c(c3)OCO4)n2N)c1 1084216893 NQQCFLFKEYPNMH-UHFFFAOYSA-N 485.526 2.305 30 10 JEEE O=C(CCSc1n[nH]c(NN=Cc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1)Nc1nncs1 1084510790 STIJEAGOIGUHHW-UHFFFAOYSA-N 464.449 2.040 30 10 JEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)Nc2ccc(C)cn2)CC1 1286349956 RGWNAHUXTSWCBA-LJQANCHMSA-N 470.599 2.152 30 10 JEEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCCN(Cc2ccccc2)C1 1286361944 VLTMZQRAEKRNQN-PZJWPPBQSA-N 458.632 2.260 30 10 JEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@]1(O)CCC[C@H]1C 1286401148 NTCVEEXVRAIIRT-UZUQRXQVSA-N 454.600 2.171 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2noc3c2COCC3)n1CC(=O)NCC=C 1286456265 PHUQJTNVKOTIHF-UHFFFAOYSA-N 450.474 2.087 30 10 JEEE C#CCN1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CCCOCC(F)F)CC1 1286478793 GEYMJDJACXFSSW-UHFFFAOYSA-N 485.539 2.102 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2Cc2snnc2C)CC1 1286491484 UAXYVFIEPNYHRG-UHFFFAOYSA-N 465.583 2.052 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](C)N(CC)C(=O)OC(C)(C)C)CC1 1286492472 GITWHSLCVKOZMA-UYAOXDASSA-N 488.633 2.393 30 10 JEEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(O)(Cc2ccc(F)cc2)CC1 1286586104 WASBPFDEPSSEPG-MRXNPFEDSA-N 451.568 2.178 30 10 JEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1cccc(Cl)c1)C1CC1 1286736438 FJIUQWKWDOZZIS-LJQANCHMSA-N 482.006 2.498 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccc3C)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1286808776 XSOWDZWUQZLGMF-FPOVZHCZSA-N 459.616 2.240 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2cnn(C)c2C)C1 1286808925 FLSSGOXPJFCVFX-WOJBJXKFSA-N 487.605 2.458 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3ccccc3n2)nnc1N1CC[C@](C)(C(=O)NC)C1 1286816069 HYRHNOFZFSGMFD-QHCPKHFHSA-N 468.583 2.057 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CC[C@@](O)(c2ccc(F)cc2)C1 1286816700 KWJMCQASABXTCD-QFIPXVFZSA-N 457.531 2.178 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](c2ccc(F)cc2)C1 1286820628 OLNLPCPVEPPWDS-QUCCMNQESA-N 464.563 2.490 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1cnn(CCOC)c1 1300329240 OTPPQBPLMYDJSD-QRQLOZEOSA-N 457.579 2.398 30 10 JEEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCC=C(C)C)[C@@H]1CCS(=O)(=O)C1 1300483592 MASZKAPPMMUGOF-LJQANCHMSA-N 476.624 2.332 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC(F)(F)Br)CC1 1300688693 JKNUHIRTVGCWHD-UHFFFAOYSA-N 488.358 2.092 30 10 JEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](C)N(C)Cc2ccccc2)CC1 1300707444 ZIZKUMUZRGJESE-HSZRJFAPSA-N 460.630 2.415 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCc2cn[nH]c2)CC1 1300717112 YQJWSFOIPTUXGT-QGZVFWFLSA-N 465.533 2.489 30 10 JEEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1300960807 MHHNTDZSIDUGIQ-LJQANCHMSA-N 457.648 2.450 30 10 JEEE C=CCn1c(-c2ccc(C)o2)nnc1N1C[C@@H]2[C@@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1301437946 BEZLVGLVAZAANY-VYDXJSESSA-N 463.560 2.159 30 10 JEEE C=CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1301445293 DKFHJLUPOSSGJY-CEXWTWQISA-N 484.582 2.129 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1301483186 JVPPGCPNBVKFCZ-MZNJEOGPSA-N 471.558 2.039 30 10 JEEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@@H](C)C(C)(C)C1 1301497665 ZTRFVEBUQQCJHO-MRXNPFEDSA-N 459.620 2.413 30 10 JEEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1301509840 NWERLNBCORKIPL-FQEVSTJZSA-N 481.601 2.050 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCOc2ncccc2F)C1 1301535719 NDWBPCUSXUGNOG-INIZCTEOSA-N 453.478 2.320 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(C(=O)NCC)CC1 1301568417 GJQZLGCBBHSVNJ-KRWDZBQOSA-N 494.593 2.010 30 10 JEEE C=CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC(=O)N(C)[C@@H](C)C1 1301611123 GQDHNKVTQRGXRS-DLBZAZTESA-N 480.635 2.173 30 10 JEEE C[C@@]1(C#N)CCCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H]2COCCO2)C1 1303934207 CXVRGAHVAPJKDX-GCJKJVERSA-N 458.950 2.407 30 10 JEEE CCn1cccc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(N(C)C(C)=O)CC2)c1=O 1313847110 HUQUPGLVRIRTPE-UHFFFAOYSA-N 459.554 2.494 30 10 JEEE COCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1316106912 GZFWGNPMSGKLRO-PMACEKPBSA-N 465.602 2.090 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2ccccc2C)CC1 1358889922 IZMSLLIPKRRKKG-AZUAARDMSA-N 457.600 2.109 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@H](C)N(C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1358960782 LSGOVALFLHQTKX-PZJWPPBQSA-N 466.611 2.435 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1c(C)noc1C 1359025137 DVWATHFGEQNLAI-IBGZPJMESA-N 474.562 2.326 30 10 JEEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2CC2CCN(C(C)=O)CC2)CC1 1359038072 JNBQGPAKWQWULZ-UHFFFAOYSA-N 450.587 2.179 30 10 JEEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(OCC(F)(F)F)cc2)CC1 1359038449 WTPZDPVTUFYFRI-UHFFFAOYSA-N 476.503 2.145 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(C)COCCO1 1359071158 GDAZKDVDGAVFID-NTUVXCKYSA-N 475.590 2.384 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCC1CCOCC1 1359099609 QOHRLHGVZOGATC-AABGKKOBSA-N 452.621 2.414 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2c(F)cccc2F)CC1 1359164830 AVYIZRXSGQCMAF-IBGZPJMESA-N 467.542 2.288 30 10 JEEE C=CCCOCCn1c(-c2cc(Br)cn2C)nnc1N1CCN2C(=O)OC[C@H]2C1 1359223053 ZDABLGMBYDUWLB-OAHLLOKOSA-N 465.352 2.280 30 10 JEEE C=CCCOCCn1c(-c2ccc[nH]2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1359225867 NMUJZGGKNXBLLW-UHFFFAOYSA-N 477.616 2.142 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1359292177 JLKKNRPJTYKISA-HOYKHHGWSA-N 452.559 2.054 30 10 JEEE CC(=O)NC[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@](C)(O)C(C)C)C1 1359438553 COIIASLBPBIZLP-YKSBVNFPSA-N 454.575 2.488 30 10 JEEE CC(C)NS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1360315068 ASBRFGOVLGIMSV-SFTDATJTSA-N 488.614 2.297 30 10 JEEE CCc1nc(C)c(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(NC(=O)COC)CC2)o1 1498271920 AYNGHNLXPOIJOL-UHFFFAOYSA-N 463.542 2.455 30 10 JEEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2CCCC(=O)NC2CC2)c1 1503408550 DBEZUKADWVECCA-XMMPIXPASA-N 499.641 2.384 30 10 JEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](Oc2ncccc2F)C1 1507557751 STTTUWJLVOYWFH-IAGOWNOFSA-N 464.567 2.274 30 10 JEEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1507558455 QXKYXAKTCFGTCY-SIKLNZKXSA-N 471.627 2.309 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CC1=CCCOC1)[C@H]1CCS(=O)(=O)C1 1507628372 WJZIMCKUKMQXFJ-INIZCTEOSA-N 480.388 2.009 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@@H]1CCCCN1CC)[C@H]1CCS(=O)(=O)C1 1507639975 NQVGRLNTWHVIIE-SFTDATJTSA-N 489.617 2.497 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1C[C@@](O)(c1ccccc1)C(F)(F)F 1507658579 DGNBZCDDKFBXQH-JOCHJYFZSA-N 459.472 2.427 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc[nH]2)n1C[C@@H]1C[C@@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1507708253 FTKYWWOVNSXMSQ-HBFSDRIKSA-N 470.574 2.384 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C(=O)NC)CC1 1507793495 ARECBKNTLUXVCK-WMLDXEAASA-N 478.395 2.478 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(OCC)cc2)CC1 1507902936 QEERHZVFQQARRI-NRFANRHFSA-N 475.615 2.460 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1508091535 VCYPBRXXHGRSRF-ROUUACIJSA-N 462.595 2.168 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1508140513 IROOJXJQFXAEMP-QZTJIDSGSA-N 453.609 2.006 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCC(N(C)C(C)=O)CC1 1508142605 AJZKBMVJBICBLC-UHFFFAOYSA-N 463.579 2.056 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCC[C@@H](C(F)F)C2)nnc1[C@]1(OC(C)C)CCOC1 1508149759 WYGWRBJGYAIZSX-UZLBHIALSA-N 462.563 2.401 30 10 JEEE CC(C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1)N1CCCC1 1508849443 DVNLJFBVTYDPOU-QFIPXVFZSA-N 465.602 2.232 30 10 JEEE CCn1cc(CN(C)c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCN2S(C)(=O)=O)cn1 1515766687 HEGYZZCABAKBDY-HXUWFJFHSA-N 468.587 2.094 30 10 JEEE COc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CC(=O)N(C)C)cc1Br 1518129938 GMPDCXLDKVLSDN-SFHVURJKSA-N 451.300 2.246 30 10 JEEE COCCN(CCC#N)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1CCN(C(C)=O)CC1 1519163932 GBLFFISAWJSXDO-UHFFFAOYSA-N 495.632 2.077 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CN(Cc2ccccc2)CCO1 1538976896 QLGKRIRJUPTYPX-HOKHCIIBSA-N 453.587 2.289 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](CC)Oc1cccc(F)c1 1539016741 VJJHIYMZRIOKAV-ILZDJORESA-N 479.578 2.066 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCN1CCN(Cc2ccccc2)CC1 1539038188 MIJRGVHNRWTXSX-NHTMILBNSA-N 466.630 2.278 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2ccccc2F)n1CCCC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1539205000 DRJABECQSUCYQV-QZTJIDSGSA-N 491.589 2.052 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCN(CC)CC 1539268449 RCQHMVZTHPGFGY-HXUWFJFHSA-N 458.607 2.391 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2C[C@]2(O)CCOC2)CC1 1539488610 MTLBZYLGMNLXMT-HHHXNRCGSA-N 495.624 2.406 30 10 JEEE C#CCSCCn1c([C@H](C)Oc2ccccc2F)nnc1N(C)CC(=O)N1CCOCC1 1539496111 BUHGJWJIGDOWQN-KRWDZBQOSA-N 461.563 2.219 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](Oc2ncccc2F)C1 1539517454 NZHOHCPYRGZIFZ-IRXDYDNUSA-N 479.603 2.129 30 10 JEEE C#CCSCCn1c(COc2ccc(C)cc2)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1539527229 YBKXRVHJXBLZFU-IBGZPJMESA-N 458.609 2.159 30 10 JEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC(Cn2cc(C)cn2)CC1 1540873464 YNJVQAGFBHKMJH-UHFFFAOYSA-N 454.604 2.358 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC=C(C)CC1 1540880941 UMAXTFAVRRTWSQ-OAQYLSRUSA-N 473.599 2.381 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCC[C@@H](c3ccnn3C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1540908843 PBXRCEKOCBORLQ-AUSIDOKSSA-N 492.646 2.037 30 10 JEEE CC(=O)Nc1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@@H](C)CS(C)(=O)=O)cn1 1541011265 AWRKHWKJIGCHBJ-HNNXBMFYSA-N 467.555 2.088 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCN1CCCCC1=O 1587633626 XSJORUDMABRQAI-LJQANCHMSA-N 450.591 2.313 30 10 JEEE C#CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1587769064 AWPICYYVAZDLQH-KOSHJBKYSA-N 488.589 2.421 30 10 JEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1ccc(OC)c(O)c1 1587921719 HAJVOMMIIONLLU-UHFFFAOYSA-N 454.556 2.379 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCc1nc(C(C)(C)C)cs1)[C@@H]1CCS(=O)(=O)C1 1588030436 VELYSFXXUZSOFA-MRXNPFEDSA-N 492.671 2.040 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCCO[C@H]1C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1588049760 LEMVEHAPEYJYAG-YSIASYRMSA-N 474.631 2.147 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1C[C@H](c1ccccc1)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1588058940 FXUYPZMBEBOZEI-DHIUTWEWSA-N 485.654 2.177 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1ccnc(C(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 1588065466 YZERYSLQNUHBOA-SFHVURJKSA-N 490.511 2.353 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](c2ccc(CC)cc2)N(C)C)CC1 1588733445 STPDZJCDEABENE-QFIPXVFZSA-N 451.619 2.037 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(N(C)C(C)=O)CC1 1589731475 LCLFPNJSPOVWRC-UHFFFAOYSA-N 460.604 2.219 30 10 JEEE C=C(C)COCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1593752678 PCUWOVLCVJZCCO-UHFFFAOYSA-N 453.996 2.197 30 10 JEEE C=CCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC[C@H](C(N)=O)C1 1594752924 UMXCTFYBLDXLRX-NRFANRHFSA-N 451.619 2.311 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OCC(F)(F)F)cc1 1594962416 KSFWPKYFTBVZGF-KRWDZBQOSA-N 489.520 2.223 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1595577603 YHGUBKMDZZVIMB-UHFFFAOYSA-N 481.601 2.114 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1595805186 LSXBQGNNYOLORY-HXUWFJFHSA-N 475.018 2.300 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1c[nH]c2cc(F)ccc12 1596830571 CPMPKQKGGMFSSR-YWZLYKJASA-N 489.577 2.070 30 10 JEEE CCc1nc(CCn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H](CN(C)S(C)(=O)=O)C2)no1 1613870833 AMMXPGGTMSFTMX-GOSISDBHSA-N 498.613 2.113 30 10 JEEE CCN1CCN(CCCn2c(-c3cccc(C#N)c3)nnc2N2C[C@H](C)O[C@H](COC)C2)CC1 1615888584 FIUOPWWUKPTPCL-REWPJTCUSA-N 467.618 2.084 30 10 JEEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCCN(C(=O)Cc3cccc(F)c3)CC2)cc1 1635395110 GRVKZSIOYHUPRO-UHFFFAOYSA-N 459.543 2.207 30 10 JEEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@@H](O)[C@@H](O)C2)c1 1635760452 XQKNQPUKNNKFFQ-UXHICEINSA-N 450.944 2.289 30 10 JEEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H](C(=O)OC)c2ccc(OC)c(Cl)c2)c1 1655030794 AXSHACLVZSMSDT-SFHVURJKSA-N 452.916 2.457 30 10 JEEE CC(C)(C)OC(=O)NCCC(=O)NC[C@H]1CCCCN1S(=O)(=O)c1cccc(C#N)c1 1655069769 HMWITATVMMFIFL-QGZVFWFLSA-N 450.561 2.132 30 10 JEEE N#Cc1cc(F)c(S(=O)(=O)N2CCN(CC(=O)Nc3ccccc3Cl)CC2)c(F)c1 1660460952 CYJIHWOWFRZAOU-UHFFFAOYSA-N 454.886 2.435 30 10 JEEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 1689907999 SMNRXZMKMZLNHC-PZJWPPBQSA-N 452.607 2.180 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCOc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1689988229 LGQZEDISETUXSY-IBGZPJMESA-N 469.542 2.493 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1cc(C)cc(OC)c1)[C@H]1CCS(=O)(=O)C1 1689991778 CGCGHVWQGLPVOV-NRFANRHFSA-N 465.579 2.256 30 10 JEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1CC1(C(N)=O)CCCC1)[C@@H]1CCS(=O)(=O)C1 1689992559 LPKHKPUCZXRLAI-LJQANCHMSA-N 490.029 2.195 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1689996776 OAVOHQZBQCPBLF-LJQANCHMSA-N 462.547 2.050 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(C(=O)NCC)CCC1 1690048902 SGZHTJKPWPTQDP-FQEVSTJZSA-N 498.628 2.356 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC2(N(C)C)CCOCC2)CC1 1690117692 ROGKVSRDUHPJTG-UHFFFAOYSA-N 473.021 2.473 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(CS(C)(=O)=O)cc2)CC1 1690146665 TWCHBTOUZTXQTA-UHFFFAOYSA-N 485.654 2.425 30 10 JEEE C#CCSCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@@H](C(N)=O)C1 1690172680 LMIHTIMELOBMKC-QGZVFWFLSA-N 462.620 2.071 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(-n2nc(C)cc2C)nc1 1690190465 VXGKZVKOTWAUBL-WZONZLPQSA-N 482.614 2.126 30 10 JEEE C=C(C)CN(CC)c1nnc(CN2CCCC2=O)n1Cc1ccc(N2CCN(CC)CC2)nc1 1690270088 SJOQQNDEODSPOH-UHFFFAOYSA-N 466.634 2.388 30 10 JEEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C)c(C)c2)CC1 1690300659 HNNSKBNSEXLFIH-FQEVSTJZSA-N 476.647 2.424 30 10 JEEE C=C(C)COCCn1c(-c2ccccc2OC)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1690307357 YDMBBKLJITZTBK-UHFFFAOYSA-N 468.602 2.291 30 10 JEEE C=CC1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@H](COC)OC)CC1 1690402457 CVIPSZSITQJQHT-LJQANCHMSA-N 463.604 2.259 30 10 JEEE C=CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1690748902 LEGGAAIVSMKYOD-GOSISDBHSA-N 458.563 2.400 30 10 JEEE COCC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1697732191 CXCRWVVAIGXJLL-UHFFFAOYSA-N 495.628 2.146 30 10 JEEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@](C)(O)C(C)C)C[C@H]1C 1698096413 GDWCLYFOLUQPPJ-NTKDMRAZSA-N 456.591 2.293 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCS(=O)(=O)NC(C)C 1705491519 DLRDLPZNEAHLNP-QZTJIDSGSA-N 482.651 2.178 30 10 JEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(OC[C@@H]2CCCCO2)CC1 1705532616 PFRCFFMHAAYWIY-ICSRJNTNSA-N 450.605 2.148 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC[C@H]1COCCO1 1705596126 TVCKUTAPXJBARN-FQEVSTJZSA-N 474.565 2.333 30 10 JEEE C#CCSCCn1c(COc2ccc(C)cc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1705666593 WMIRBBQZBVDZRN-UHFFFAOYSA-N 477.656 2.392 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N(C)CC(=O)NC(C)C 1705705649 JXRVWWBJAWJHDJ-UZLBHIALSA-N 460.604 2.212 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c([C@H]2CCOC2)nnc1N1CCc2nn(C)c(=O)cc2C1)C(C)C 1705869545 XSSORVSNCMGEGN-UGKGYDQZSA-N 467.618 2.137 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccccc2CN2CCCC2=O)C1 1705915498 VDUBYNFPUDOESO-NRFANRHFSA-N 466.586 2.368 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCN(Cc2ccc3c(c2)OCCO3)CC1 1705930095 FHAQBUBKKBXTMX-LJQANCHMSA-N 489.642 2.486 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CCN(C(C)=O)C[C@H]1C 1705933131 VDWNESUINDANEJ-OAHLLOKOSA-N 451.980 2.256 30 10 JEEE CCN(CC)[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1710015828 CMGYKZRGRIVFIA-MJGOQNOKSA-N 453.547 2.100 30 10 JEEE COCC1(CCn2c(-c3cccc(C#N)c3)nnc2N2CCC(OCC(N)=O)CC2)CCC1 1712191851 HQISJSZLAVYSQL-UHFFFAOYSA-N 452.559 2.494 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(Br)ccc1OC 1722281500 YZAWGTNIPZMDCQ-QWHCGFSZSA-N 470.393 2.166 30 10 JEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 1722317965 ZEWVZFOCJBSEMN-IAGOWNOFSA-N 462.576 2.068 30 10 JEEE C#CCCCCn1c(COc2ccccc2F)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1722321797 GYWFXSBDCRJENH-UHFFFAOYSA-N 454.506 2.320 30 10 JEEE C#CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1722334454 XTUOECCSFARWLJ-UHFFFAOYSA-N 496.616 2.393 30 10 JEEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2OC)n1CCS(=O)(=O)N1CCSCC1 1722347647 LGSPGPGZJKKFFE-UHFFFAOYSA-N 470.020 2.055 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@H](C)N2CCOCC2)CC1 1722433539 ZHALDABWKIPYQP-SFHVURJKSA-N 460.529 2.022 30 10 JEEE C#CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1722458306 GRFSUIBOIKGGGG-HNNXBMFYSA-N 467.555 2.237 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cnn(CCOC)c1 1722472454 DYWUQXPCDYUINM-NBGIEHNGSA-N 499.616 2.470 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H]1CCCN1S(C)(=O)=O 1722499470 BMBMTONMZHICEZ-WIYYLYMNSA-N 455.625 2.145 30 10 JEEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCNC(=O)c1cccs1 1722638353 XMBWOZZMDWGTKQ-UHFFFAOYSA-N 459.601 2.352 30 10 JEEE C=CCNC(=O)Cn1c(N2C[C@H](C)O[C@@H](CC)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1722704135 ONMWVLZGTACXBO-FJIDUMEYSA-N 462.595 2.355 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1722729923 BBDHEGOSRKDERE-XMMPIXPASA-N 489.642 2.067 30 10 JEEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@]2(CCc3ccccc32)C1 1722731670 BQHVTDOBFVAAPO-HTAPYJJXSA-N 477.656 2.486 30 10 JEEE CC(C)(C)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(=O)(=O)Cc2ccon2)CCO1 1722919944 HYGZVYJZNWEFJZ-HXUWFJFHSA-N 499.597 2.176 30 10 JEEE CC(C)[C@@H](Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@@H](C)CC#N)N1CCOCC1 1723119374 GSUHXKUGJALFAI-GHTZIAJQSA-N 478.601 2.287 30 10 JEEE CC[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(=O)(=O)Cc2ccon2)C1 1727753365 BMCVSQLOACEYNX-MRXNPFEDSA-N 455.544 2.161 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC(C)(C)OC)CC1 1740704637 VKDZAIMGLFFBED-UHFFFAOYSA-N 455.559 2.353 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1740723326 NLQYXMYDHDBZQO-IIBYNOLFSA-N 477.491 2.181 30 10 JEEE C=C(Br)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1740735939 BQILBGMAUYYQJR-OAHLLOKOSA-N 462.352 2.139 30 10 JEEE C=C(C)COCCn1c(-c2ccc(F)cc2Br)nnc1N1CCO[C@@H](C(=O)NC)C1 1740790282 QDVYUKYESYNHNZ-QGZVFWFLSA-N 482.354 2.391 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)N1CCOCC1 1740923568 PEXYFDYFZTYNRN-ROUUACIJSA-N 465.645 2.155 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCO[C@H](c2ccc(OC(F)F)cc2)C1 1740960027 JFSOJCPKTMTCDL-WMZOPIPTSA-N 463.485 2.264 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1740963456 LHZMXWNMPBSWPG-YOEHRIQHSA-N 464.448 2.187 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@@H](C)O[C@H](CC)C1 1740985958 ONYMHGAJFWDTER-VQIMIIECSA-N 496.033 2.466 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 1740992637 KIKREZYURKGOLQ-UHFFFAOYSA-N 486.642 2.236 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCC(N2CCCC2=O)CC1 1740993911 FYAAQBZGTLDXKV-UHFFFAOYSA-N 463.629 2.122 30 10 JEEE CC[C@@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1743886828 FFFATDFMHYXQBS-LZQZEXGQSA-N 451.531 2.056 30 10 JEEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)CN2CCCC2)C1 1746536530 FLJRYTQUOPSZHR-OAQYLSRUSA-N 485.658 2.457 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCS(=O)(=O)C(C)(C)C 1748679784 JCRIFQUFKOLIQX-OAQYLSRUSA-N 486.686 2.314 30 10 JEEE C#CCN(c1nnc(CCOc2ccccc2)n1CCN1CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1748821294 OIPSHXRTQCKVOX-VXKWHMMOSA-N 485.654 2.258 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1csc(COC)n1 1748858239 NJSMYHXWTOUOFQ-SFHVURJKSA-N 486.598 2.311 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCn2ccnc2C1 1748915033 NOPWMHAHHDYTSR-SFHVURJKSA-N 467.599 2.114 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(C(=O)N3CCCC3)n2CC2C[C@H](C)O[C@@H](C)C2)n1 1748970432 DBDZDLNUCZIERH-PMACEKPBSA-N 483.617 2.200 30 10 JEEE C#CCSCCn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1749044549 ROLHKMPXMQEEMV-CTNGQTDRSA-N 453.612 2.401 30 10 JEEE C=C(Br)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(OCC(N)=O)CC1 1749090332 MLABSWADDPUCCX-UHFFFAOYSA-N 465.308 2.233 30 10 JEEE C=C(Br)Cn1c(CNC(=O)c2cccs2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1749109205 FVZXFLOBQGWQNS-STQMWFEESA-N 490.449 2.436 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCC(N2CCCNC2=O)CC1 1749117967 ARPLJCSHGCRTRS-ZJOUEHCJSA-N 476.622 2.367 30 10 JEEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(O)(Cc2ccccc2F)CC1 1749170897 VFBFOQZLYLLLJV-INIZCTEOSA-N 451.568 2.178 30 10 JEEE C=C(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1749183068 NBJXPQVAHOARPB-IBGZPJMESA-N 454.575 2.281 30 10 JEEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(c2cccnn2)CC1 1749215791 FUVQDHZGEMEKHI-UHFFFAOYSA-N 483.598 2.058 30 10 JEEE C=C(C)COCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1749219254 BBRIBOULDRFLRW-MSOLQXFVSA-N 457.531 2.490 30 10 JEEE C=C1CCN(c2nnc(Cc3cn4ccccc4n3)n2CCCN(C)S(=O)(=O)CC)CC1 1749305514 YIPZOKAVWLWSPY-UHFFFAOYSA-N 457.604 2.345 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@H](CN2CCOCC2)C1 1749651954 CXOFIEYSVUGPBO-WOJBJXKFSA-N 486.592 2.408 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCCN(c2nc(C)ns2)CC1 1749664658 VWVFWOACHHYHKE-UHFFFAOYSA-N 468.587 2.133 30 10 JEEE CC(=O)N1CCN([C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCCCCCO)C[C@H]2C)CC1 1749883430 MISPOJMWZCIEHI-YKSBVNFPSA-N 479.629 2.358 30 10 JEEE CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)CN2CCCCC2)CCO1 1750013386 FWFBYSQSUXRTRF-XXBNENTESA-N 465.602 2.280 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2C[C@]2(OC)CCOC2)c1 1760127638 HBTZLDATNRCJRO-RUZDIDTESA-N 460.538 2.126 30 10 JEEE C#CCN(c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@](C)(O)CCOC)[C@H]1CCS(=O)(=O)C1 1760190474 WQACCRUPHTVWOA-YADARESESA-N 499.593 2.014 30 10 JEEE C#CCN(c1nnc(COCC)n1CCc1c[nH]c2cccc(C)c12)[C@@H]1CCS(=O)(=O)C1 1760192930 POCMDESMDFWBNG-LJQANCHMSA-N 455.584 2.474 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1CCc2ccccc2C1 1760205931 NDBCVJFENPRYLW-JOCHJYFZSA-N 465.623 2.090 30 10 JEEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CC2CN(C(=O)OC(C)(C)C)C2)CC1 1760262979 JAOQHBLSWZFMAH-UHFFFAOYSA-N 471.631 2.256 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc4c(s3)CCCCC4)n2CCC(=O)NC)CC1 1760266796 MNGGGVQYGSLRQY-UHFFFAOYSA-N 468.627 2.377 30 10 JEEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1 1760341486 FADBRTBJZUBDJF-HNNXBMFYSA-N 456.613 2.348 30 10 JEEE C=CCNC(=O)Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCN(C)C(=O)[C@@H]1C 1760527477 YIGLJZLABLEBDH-KRWDZBQOSA-N 474.993 2.221 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCC(NC(C)=O)CC2)cc1 1760530109 KTDCRXVWRCOTPG-UHFFFAOYSA-N 452.559 2.232 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C/C(C)=C/c1ccccc1 1760554904 QKOIZPQMFDDRMT-PHKMIBKXSA-N 478.640 2.321 30 10 JEEE COCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1769184915 GTEBNDBXYRKMIH-QGZVFWFLSA-N 490.605 2.190 30 10 JEEE COC(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C(C)C)N2CCOCC2)C1 1769397496 CXGIVMLDLXCMOU-GMAHTHKFSA-N 496.612 2.475 30 10 JEEE C#CCN(CC#CC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1772516112 DUVPPDSSKZNYFA-RUZDIDTESA-N 484.622 2.167 30 10 JEEE N#Cc1cccc(C(=O)N2CCN(c3ccc(NC(=O)CN4C(=O)c5ccccc5C4=O)cn3)CC2)c1 1858441944 IILOBFSOSMILKC-UHFFFAOYSA-N 494.511 2.150 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@@H]2c2ccc(O)c([N+](=O)[O-])c2)cc1 1862690307 MGLWZSJNWYIKCV-LJQANCHMSA-N 455.423 2.023 30 10 JEEE CC(=O)Nc1cccc(-n2nnc(C#N)c2NC(=O)[C@@H](C(C)C)N2C(=O)c3ccccc3C2=O)c1 1870143324 HUNJLSKVIOOHJN-HXUWFJFHSA-N 471.477 2.357 30 10 JEEE C=CCN(CC=C)c1nc(=NCCCN2CCOCC2)[nH]c(=Nc2ccc(Cl)c([N+](=O)[O-])c2)[nH]1 1871576042 BXQOVMAZNKMBQA-UHFFFAOYSA-N 488.980 2.333 30 10 JEEE C=CCn1c(C(=O)NC[C@@H](c2ccc(O)cc2)N(C)C)cc2c(N3CCOCC3)ncnc21 1873595375 ZWWDZLCXNWVQNO-NRFANRHFSA-N 450.543 2.192 30 10 JEEE CC(=O)NCc1nnc(SCC(=O)Nc2ccccc2C)n1/N=C/c1ccc(O)c(O)c1 1874431033 BPWWMYRWOGHKLH-AUEPDCJTSA-N 454.512 2.247 30 10 JEEE CC(=O)NCc1nnc(SCC(=O)N[C@H](C)c2ccccc2)n1/N=C/c1ccc(O)c([N+](=O)[O-])c1 1874436056 JYUBBBPGYQHWNB-VXHUXDJESA-N 497.537 2.380 30 10 JEEE COCCc1nnc(SCC(N)=O)n1/N=C/c1ccc(OC(=O)c2ccccc2)c(OC)c1 1874470669 LVZHJLMVOVDFSP-ZMOGYAJESA-N 469.523 2.154 30 10 JEEE CCOc1ccc(S(=O)(=O)N2CCC(OCC#CCN3CCN(CC)CC3)CC2)cc1C 1890648755 MGPIHDJZBJUPAZ-UHFFFAOYSA-N 463.644 2.204 30 10 JEEE N#Cc1cccnc1OC1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2F)CC1 1891876696 MQOPCAFHPHVQQK-IBGZPJMESA-N 458.515 2.315 30 10 JEEE C=CCNC(=O)[C@H](C)[S@](=O)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1990662155 LVQGBJLFXOQFJD-XXKSDLOESA-N 470.547 2.418 30 10 JEEE C[C@@H](NC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)C1(O)CN(C(=O)OC(C)(C)C)C1 2060137983 FNRNGQBFSHMUJB-CVEARBPZSA-N 454.568 2.450 30 10 JEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H]1COC[C@@H]1NC(=O)OC(C)(C)C 2255614529 KIYJUNRQIRSYHO-GJZGRUSLSA-N 452.382 2.378 30 10 JEEE CC(C)(C)OC(=O)N1CC(NS(=O)(=O)c2ccc(F)c(B3OC(C)(C)C(C)(C)O3)c2)C1 2255800488 SPQYPSPXTGJUKH-UHFFFAOYSA-N 456.345 2.023 30 10 JEEE Cc1csc(CNC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)O)c1B1OC(C)(C)C(C)(C)O1 2256619898 BUPMNKCDDSAJKV-BBRMVZONSA-N 454.398 2.246 30 10 JEEE CCc1nn(C)c(C(=O)N(C)C[C@@H](C)NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267143356 HAHFLGDERXIUNZ-CQSZACIVSA-N 450.389 2.267 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C(F)(F)C1 2267196949 IANKXHWOJKURLU-ZDUSSCGKSA-N 456.299 2.083 30 10 JEEE COC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2267472571 SDGRGLXUKDMSHD-UHFFFAOYSA-N 463.336 2.489 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1[C@H]2C[C@@H](CN(C(=O)[C@@H]3C[C@H]3B3OC(C)(C)C(C)(C)O3)C2)[C@H]1CO 2267563692 PNSBXJIUVZODAZ-DWMDIXPDSA-N 450.385 2.449 30 10 JEEE CN1CCN(C(=O)OC(C)(C)C)C[C@H]1CNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2267589950 IGDCYXZMZXUPTD-OAHLLOKOSA-N 465.425 2.328 30 10 JEEE CN1CCN(C(=O)OC(C)(C)C)C[C@H]1CNC(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2267595597 FRTCSBGOUZSUJZ-OAHLLOKOSA-N 465.425 2.328 30 10 JEEE C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CN1S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2267702652 JTICDRYCXRHUQQ-GOEBONIOSA-N 467.397 2.057 30 10 JEEE CC(C)(C)OC(=O)NC1(C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)CCOCC1 2268630729 OFJPQOXRSWKVRT-UHFFFAOYSA-N 467.397 2.132 30 10 JEEE C[C@@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)Nc1ccc(F)c(F)c1B1OC(C)(C)C(C)(C)O1 2268653867 SEYSHOAEKSOJOJ-BZNIZROVSA-N 456.295 2.477 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1CC(F)F 2281927555 AUELYUXHJUKLLD-ZDUSSCGKSA-N 470.326 2.426 30 10 JEEE C[C@@H](NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)C1CCN(C(=O)OC(C)(C)C)CC1 2282044099 RJDVXMTWQKCJLU-OAHLLOKOSA-N 462.400 2.485 30 10 JEEE CC(C)(C)OC(=O)N1CC2(CCCCN2C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2282172090 SAQUSXPUUPUAEB-UHFFFAOYSA-N 458.368 2.391 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C2(CC2)C1 2282189155 GJSJCOIJEFXZDX-HNNXBMFYSA-N 458.368 2.438 30 10 JEEE CCN([C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282333667 RHQFUDCVLWLOMR-LJQANCHMSA-N 474.436 2.004 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@](CF)(NS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282353937 KMDHMBKYFFPRLB-NRFANRHFSA-N 485.387 2.008 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2CC[C@]2(CNC(=O)OC(C)(C)C)C1 2282485015 NPHREYIIZOTKBD-WNSKOXEYSA-N 460.384 2.096 30 10 JEEE COc1ccc(S(=O)(=O)NC[C@@H]2C[C@H]2NC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2282504807 UYCBMNBJSGBEII-WMLDXEAASA-N 482.408 2.186 30 10 JEEE CC(C)(C)OC(=O)N1CC2(CCN(S(=O)(=O)Cc3ncsc3B3OC(C)(C)C(C)(C)O3)C2)C1 2282507736 LUSAIXIFHUYGGI-UHFFFAOYSA-N 499.464 2.215 30 10 JEEE CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2282579480 FMOSELFMINVEOJ-CYBMUJFWSA-N 470.326 2.331 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]1C[C@H]2CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2282616167 XTEMLDNXXAVEGH-UAGQMJEPSA-N 458.368 2.151 30 10 JEEE COCC1(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)CCN(C(=O)OC(C)(C)C)CC1 2282646752 SFNLXRQCIODFCX-UHFFFAOYSA-N 463.384 2.460 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O 2282666918 LILRCUXQZQZDJG-LPHOPBHVSA-N 460.380 2.252 30 10 JEEE CO[C@@H]1CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2O)C[C@@H]1NC(=O)OC(C)(C)C 2282794109 HFBWKTUADKFZDL-FUHWJXTLSA-N 462.352 2.056 30 10 JEEE CCO[C@@H](CNC(=O)OC(C)(C)C)CC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)c(C)n1 2283957709 ZRTRLMANDMJDKR-OAHLLOKOSA-N 464.372 2.343 30 10 JEEE Cc1scc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)c1B1OC(C)(C)C(C)(C)O1 2320440725 HWKJPMMSGOIIFZ-GJZGRUSLSA-N 452.382 2.066 30 10 JEEE CN(C(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1F 2320554726 HWVHUIDBYLBKAN-STQMWFEESA-N 455.361 2.472 30 10 JEEE CC(C)(C)OC(=O)N[C@@]1(C(=O)N2CC[C@@](C)(B3OC(C)(C)C(C)(C)O3)C2)CCS(=O)(=O)C1 2342479988 MKSRXNZCCAQUKW-RTWAWAEBSA-N 472.413 2.153 30 10 JEEE CS(=O)(=O)C1(C#C[C@H](NN)c2ccc(I)c(Br)c2)CC1 2367848618 WRPCDUMBGAIJCL-LBPRGKRZSA-N 469.142 2.139 30 10 JEEE Cc1cc(C)nc(N/C(=N/C(=S)NCCCN2CCOCC2)NC2Cc3ccccc3C2)n1 14159546 HJXKTOQUAJMJKE-UHFFFAOYSA-N 467.643 2.215 30 10 JEEE C[C@H](OC(=O)CN1C(=O)N[C@@]2(CCCC[C@H]2C)C1=O)C(=O)Nc1sc2c(c1C#N)CCC2 21947446 DZYMYCHHMAUUIW-GPAUDHNESA-N 458.540 2.479 30 10 JEEE COc1cc([C@@H](C#N)NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)cc(OC)c1OC 609006325 IOPSJSWNRCJNQZ-LJQANCHMSA-N 473.551 2.494 30 10 JEEE CCN1C(=O)[C@H](CC(=O)Nc2ccccc2OC)S/C1=N/Cc1ccc(S(N)(=O)=O)cc1 726402316 FFIAOBOIJSJPLM-MLSMKVKPSA-N 476.580 2.191 30 10 JEEE N#CCCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](CO)C(=O)O 757403341 STJHEENAXLHHPL-RTWAWAEBSA-N 451.479 2.149 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)O[C@@H](C)C(=O)Nc3ccccc3S(C)(=O)=O)cc2C1=O 853262070 FAXCLOVEUROJMS-ZDUSSCGKSA-N 456.476 2.056 30 10 JEEE C#C[C@H](CC)NC(=O)CCNS(=O)(=O)c1cc(Br)ccc1Br 1156824415 CXISXNVVHBYFKH-LLVKDONJSA-N 452.168 2.408 30 10 JEEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)CC1 1175514664 CQSCGXZMCJJGCG-UHFFFAOYSA-N 458.927 2.229 30 10 JEEE C#CCN(C(=O)Nc1cc(F)cc(S(N)(=O)=O)c1)C1CCN(C(=O)OC(C)(C)C)CC1 1200013438 ZJDBMIGPISUGJJ-UHFFFAOYSA-N 454.524 2.340 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Nc1ccc(OCC)c(S(=O)(=O)N2CCOCC2)c1 1214225952 HQJDDFIRZQQTLL-UZLBHIALSA-N 453.561 2.209 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2ccccc2F)n1CC1(O)CCC1)[C@H]1CCS(=O)(=O)C1 1286386379 ZDFIHJXUDIRDQX-SJORKVTESA-N 462.547 2.099 30 10 JEEE C#CCN(c1nnc(C(C)C)n1Cc1cccc(Cn2cccn2)c1)[C@H]1CCS(=O)(=O)C1 1286386380 ZEFMDCCCYHODGW-NRFANRHFSA-N 452.584 2.321 30 10 JEEE C#CCN(c1nnc(CCOc2ccccc2)n1Cc1nccs1)[C@@H]1CCS(=O)(=O)C1 1286394910 XXAHPPUPZKAWQU-QGZVFWFLSA-N 457.581 2.031 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1CCC(=O)NCc1ccccc1)[C@H]1CCS(=O)(=O)C1 1286396453 UWNCMEUTAFKEEX-FQEVSTJZSA-N 471.627 2.200 30 10 JEEE C=CCCOCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCc2nc(O)c(C#N)cc2C1 1286716070 DHCHTELJBDYYHC-JXFKEZNVSA-N 454.531 2.130 30 10 JEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ccc(OC)c(O)c1 1300535132 HULFTKXTUPDXON-UHFFFAOYSA-N 457.538 2.287 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cnn2ccccc12 1300671078 BJCYIONQGCXYAG-NRFANRHFSA-N 495.584 2.369 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2Cc2nnc(CC)s2)CC1 1300686058 WVKKLQPOTYMMQA-UHFFFAOYSA-N 475.420 2.264 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1300892474 SVDGZRYMXWDVMH-ZWOKBUDYSA-N 493.655 2.264 30 10 JEEE C=CCN(CC=C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(C)(C)N1CCOCC1 1301383720 KJGGOFTUHRNEOD-UHFFFAOYSA-N 463.586 2.481 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC(NC(=O)C2CC2)CC1 1301482251 SZAJBAHUTLVJHN-MRXNPFEDSA-N 470.549 2.354 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)C[C@@H]1CCOC1 1301589179 OQUMIWXSRPPONR-OALUTQOASA-N 497.662 2.466 30 10 JEEE CC(=O)N1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCN/C(O)=C2\N=CC=CC2=O)[C@@H](C)C1 1301723295 ZAKINFIJJSWTTC-OOHXQLJPSA-N 483.960 2.182 30 10 JEEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)N2CCSCC2)CCS1 1305153578 DGOQWPSFYNVJIO-MRXNPFEDSA-N 478.669 2.137 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1ccc(N(CC)CC)nc1)[C@@H]1CCS(=O)(=O)C1 1358960527 GRHLYKUOCBXTPY-HXUWFJFHSA-N 479.610 2.256 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H](C)Oc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1358965352 SURWKORHKVYBCH-CTNGQTDRSA-N 495.605 2.367 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@](C)(O)[C@H](C)CC 1358972006 QBVFSAQRRRJBDG-WZONZLPQSA-N 457.600 2.065 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1NC(=O)CC1(C)C 1358983798 WZCZDFDDRYLHGN-KSZLIROESA-N 454.575 2.036 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCN1CCN(C(C)=O)CC1 1358984982 MERNNUNPCRPPTR-HXUWFJFHSA-N 466.561 2.184 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(Br)c2)n1CCCNS(C)(=O)=O 1358986701 DUWUUZHKVMNRGM-UHFFFAOYSA-N 464.389 2.110 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1([S@@](C)=O)CCC1 1358987995 YZCDRZUAYZITEW-SSEXGKCCSA-N 458.609 2.113 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccccc2Cl)n1CCS(=O)(=O)N1CCSCC1 1358990422 NMNGNPZGVCHFGA-UHFFFAOYSA-N 478.043 2.440 30 10 JEEE C#CCN(CC)c1nnc(-c2ccc(F)cc2Br)n1CC1(O)CCS(=O)(=O)CC1 1359005083 VJVBALOCYVDVFX-UHFFFAOYSA-N 485.379 2.246 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@H]2CCC[C@@H](O)C2)CC1 1359042496 IUCAPIPCKOINRR-GHTZIAJQSA-N 451.571 2.471 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN1CCOC[C@@H]1C 1359111983 UXJVWSXVNKUBGG-SFHVURJKSA-N 451.575 2.315 30 10 JEEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1359122017 SOFHGTPJLWAVSV-JKSUJKDBSA-N 457.597 2.032 30 10 JEEE C=C(C)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 1359122140 ZUWWCFOGJHHNMM-RXVVDRJESA-N 491.614 2.244 30 10 JEEE C=C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC2(O)CC(OCC)C2)CC1 1359160885 IICMKLLKGGYNMJ-UHFFFAOYSA-N 475.615 2.282 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCS(=O)(=O)CC 1359271758 CSZLBPSDQPRKBR-KRWDZBQOSA-N 469.608 2.200 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2ccc(F)c(F)c2)C1 1359313830 RTYKMFLEBJZIJT-HOCLYGCPSA-N 455.531 2.191 30 10 JEEE C#CCn1ccc(CN(CC)C(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc(C(C)=O)cc2)n1 1436118743 BVZAOIKZXORZSB-JOCHJYFZSA-N 456.568 2.311 30 10 JEEE C#CC[C@]1(C(=O)N(C)C[C@H](O)CN(C)C(=O)OC(C)(C)C)CCCN1C(=O)OC(C)(C)C 1454444708 SZIKYCFCDNCNLX-GAJHUEQPSA-N 453.580 2.466 30 10 JEEE CC[C@H](C#N)Oc1cccc(CNC(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)c1 1465197051 IDTLBIVOEANYEI-AEFFLSMTSA-N 453.561 2.312 30 10 JEEE Cc1cnc2c(S(=O)(=O)N3CCN(C(=O)Nc4ccn(CCC#N)n4)CC3)cccc2c1 1476178831 CLEOHKFCOMYIIS-UHFFFAOYSA-N 453.528 2.192 30 10 JEEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCC(CC#N)CC3)n2C[C@@](C)(O)C2CC2)c1 1503408114 AZJWTBVVTHYTOE-HSZRJFAPSA-N 472.615 2.486 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCC(=O)NC1CCCCC1 1507520889 HSXQQBKAVJISDU-SFHVURJKSA-N 486.642 2.492 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1noc(CC)n1 1507536181 BDFFGBOEPUGPKB-HOTGVXAUSA-N 459.551 2.233 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1507628531 OYLILWAHLWIQLD-OAQYLSRUSA-N 453.568 2.260 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1CC1CCN(CC(F)(F)F)CC1)[C@H]1CCS(=O)(=O)C1 1507632106 WYQUKCJMYDVOBG-IBGZPJMESA-N 496.559 2.241 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1OCCC1(C)C 1507651963 DBYQPTZJJYUPMM-RBUKOAKNSA-N 457.575 2.474 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCN1CCOCC1(C)C 1507660685 CSKVNATXWHYXCG-UHFFFAOYSA-N 497.669 2.120 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1Br 1507669543 NPMSTVFSWDJCMQ-KRWDZBQOSA-N 461.385 2.454 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@H]1CCOc2ccccc21 1507711852 ZZDHTCSRBXBAJZ-RBUKOAKNSA-N 458.584 2.223 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H](C)N2CCC[C@H](C)C2)CC1 1507717982 KBNLRTILPNVNJE-SFTDATJTSA-N 484.670 2.224 30 10 JEEE C#CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CC)[C@H](C)C1 1507750720 CLUQAHPQUVNONH-MOPGFXCFSA-N 478.663 2.483 30 10 JEEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CCN(CC(=O)NCc2ccccc2)CC1 1507753146 CKXQNQGAMOZCTI-JOCHJYFZSA-N 482.654 2.325 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(CC)CC)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1507762540 VQGTZXRSZCIDKY-CJFMBICVSA-N 471.650 2.131 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2c[nH]c3ccccc23)nnc1N(C)CCNS(C)(=O)=O 1507810253 WQQDROUUIGCEIR-VGOFRKELSA-N 472.615 2.317 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1nccc(C(F)(F)F)n1 1508018841 IHZGGVDCBCCQSZ-CQSZACIVSA-N 456.494 2.410 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 1508085534 GXUNFALOVZKYOQ-IRXDYDNUSA-N 479.368 2.416 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3noc4c3COCC4)n2CCN(C)CC(F)(F)F)C1 1508118578 RKOMQKPLNSROHH-CQSZACIVSA-N 456.469 2.281 30 10 JEEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCCCS(C)(=O)=O)[C@@H](C)C1 1508258303 GHACSJDXGFPLIF-SFHVURJKSA-N 488.614 2.001 30 10 JEEE CNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)c2ccco2)CC1 1517428095 ABXVPZOIVHDSFG-UHFFFAOYSA-N 461.526 2.144 30 10 JEEE COc1ccccc1Cc1nnc(N2CCC[C@](C)(C#N)C2)n1CCNS(=O)(=O)Cc1ccon1 1518469102 HRYOOKZDPVCGPD-HSZRJFAPSA-N 499.597 2.115 30 10 JEEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@H]1CCOC[C@H]1OC 1539025174 FWPHBHJBGGHPBO-WMTXJRDZSA-N 466.630 2.152 30 10 JEEE C#CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1539115428 BDELMCLICQHROC-ZWKOTPCHSA-N 477.569 2.375 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(OCCO)c(OC)c1 1539250629 QAOQFSOEFOQLLP-UHFFFAOYSA-N 451.914 2.494 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCOc1ncccc1Cl 1539256965 BTUGZROCTZIHQY-UHFFFAOYSA-N 473.924 2.392 30 10 JEEE C#CCN1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(OC)c(OC(F)F)c2)CC1 1539446178 SZIONSYTPYTVDV-UHFFFAOYSA-N 455.469 2.149 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCCO[C@@H]2C(C)C)CC1 1539466732 FIZGGHANCFMEPA-IFMALSPDSA-N 493.612 2.342 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1539615199 HBOXTTJNNVEAAL-JYBIWHBTSA-N 458.607 2.140 30 10 JEEE C=C(Cl)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1539775962 ROXJBCOZSORRIQ-INIZCTEOSA-N 478.956 2.483 30 10 JEEE Cc1nn(C)c(N2CCN(c3nnc(C(C)(C)C)n3C[C@@H]3CN(CC(C)C)CCO3)CC2)c1C#N 1543001117 CWTAYJDPGSZWAY-FQEVSTJZSA-N 483.665 2.173 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCc1ccc(F)cc1C)[C@H]1CCS(=O)(=O)C1 1588029445 IBUYSTCHVRFRIN-FQEVSTJZSA-N 496.568 2.242 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1Cc1cc(C)nn1C)[C@H]1CCS(=O)(=O)C1 1588040474 NKRDOZFFTXBHCE-FQEVSTJZSA-N 452.584 2.224 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1Cc1nccn1C(F)F)[C@@H]1CCS(=O)(=O)C1 1588041443 XDORQGHCVXGTBQ-CQSZACIVSA-N 481.916 2.260 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1CCCCN1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1588049811 LNHQWIBGAMKPGS-QFIPXVFZSA-N 470.643 2.479 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1c2ccccc2C[C@H]1C 1588228249 CSCRCLLQMOABJW-CTNGQTDRSA-N 451.596 2.094 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCNC(=O)OC(C)(C)C)CC1 1588790801 CRHQCCGSFUMBHM-UHFFFAOYSA-N 470.574 2.242 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(Br)cc3)n2CC[S@](=O)CC)CC1 1588865649 ZTARNBBSSHIISS-GDLZYMKVSA-N 480.432 2.143 30 10 JEEE C#CCSCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1588985105 OECNRSPIXWXBFN-IRXDYDNUSA-N 481.619 2.394 30 10 JEEE CC(C)NS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1610313173 GMXURLNFZXMGRO-TZIWHRDSSA-N 488.614 2.062 30 10 JEEE CCN1CCN([C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(C(=O)OC)CC2)CC1 1615836996 BKSYMLPKYOYXDR-LJQANCHMSA-N 465.602 2.232 30 10 JEEE CSCc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@@H](C)CC#N)cc1 1620247770 HHBJCELZOVZGDW-QFBILLFUSA-N 478.644 2.261 30 10 JEEE C#CC[C@H](NC(=O)C1(NC(=O)NCc2cccc(Br)c2)CCCC1)C(=O)OC 1629616964 CGTMKFRSXNUAOQ-INIZCTEOSA-N 450.333 2.242 30 10 JEEE C#CC[C@@]1(C(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)CCCN1C(=O)OC(C)(C)C 1649091702 YVWGCTVCHGSAKA-MFEFFIJZSA-N 451.564 2.123 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)CC(=O)NCC(=O)Nc2ccccc2Br)c1 1652304015 FHLHSZZMLCNUDD-UHFFFAOYSA-N 457.328 2.056 30 10 JEEE N#Cc1c(Cl)cccc1S(=O)(=O)N1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2)C1 1662013194 BQQGENLNLQOLNC-CQSZACIVSA-N 457.936 2.482 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CCC(=O)NCc1ccccc1 1689860689 GAOVYBMMEQBQPW-QGZVFWFLSA-N 450.568 2.434 30 10 JEEE C#CCCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1689933255 GYDOSLBIYBVBPX-UHFFFAOYSA-N 456.541 2.305 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC[S@@](=O)C(C)(C)C 1690000282 XTISFKJDJFJUBB-WJOKGBTCSA-N 460.003 2.482 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCOC2CCOCC2)CC1 1690132379 PDTWLXURUNQSQS-UHFFFAOYSA-N 464.570 2.070 30 10 JEEE C#CCSCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1690177489 XHIOYXBJUGPOIG-INIZCTEOSA-N 468.048 2.359 30 10 JEEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1690497404 PCYLVBUUXRWFJW-UHFFFAOYSA-N 457.579 2.034 30 10 JEEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(=O)NCCc1ccccc1 1690523102 UJOKKRWHCNQMBL-UHFFFAOYSA-N 467.599 2.219 30 10 JEEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1690605740 VPULAUTXFYESHX-QHCPKHFHSA-N 467.551 2.194 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1690663342 TXLDHYLWKTVUES-UHFFFAOYSA-N 461.570 2.348 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC(=O)N(CCOC)C2)C1 1690691187 AICRPORVTVJYTA-CTNGQTDRSA-N 450.543 2.093 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3nn(CCC)c(=O)c4ccccc34)n2CCC(=O)N(C)C)C1 1690696711 HRDFFQHQAOFWJO-GOSISDBHSA-N 479.585 2.325 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CC(=O)NCC(F)(F)F)C1 1690699313 CNFFQYFPYBIQQA-YOEHRIQHSA-N 467.448 2.250 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(F)cc3)n2CC2(C(N)=O)CCOCC2)C1 1690712114 NYWLDGLSVUEVRR-IBGZPJMESA-N 459.522 2.060 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCC(N(C)C(=O)OCC)CC1 1690723287 MSKLTAMPCGWPFZ-UHFFFAOYSA-N 476.603 2.306 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCCN(Cc2ccccc2)CC1 1690723954 FBPOVDXZABTSQM-JOCHJYFZSA-N 473.643 2.485 30 10 JEEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@@H](CC)NC(=O)OC(C)(C)C 1694733967 DHVYJZDCLJOMDO-QGZVFWFLSA-N 471.610 2.384 30 10 JEEE CCN1CCN(C[C@@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@H](OC)C2)CC1 1695904049 DUVMUNMNBSTGSB-NFBKMPQASA-N 467.618 2.227 30 10 JEEE CNS(=O)(=O)CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@@](F)(C#N)C1 1697020254 DJZZKDSYHHFBGK-OXQOHEQNSA-N 450.540 2.026 30 10 JEEE C#CCN(c1nnc(COCC)n1CCc1ccc(Cl)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1705572059 PTRAXGKMFUNXHE-KRWDZBQOSA-N 466.991 2.346 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccccc1OC)N1CCCC1 1705612488 HQHRTVVZFVPBEB-TZIWHRDSSA-N 471.627 2.485 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@@H](C(=O)NC)C1 1705707846 SMBIPFPRPHOXHZ-LTFPLMDUSA-N 461.607 2.129 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1705707958 VDXPJVAWGZNMRH-TUNNFDKTSA-N 460.623 2.101 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1705898947 CTCDYPNYKGVRTL-UHFFFAOYSA-N 461.570 2.490 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2C[C@H](C)[C@@H](C)C2)cc1 1705912077 YIFIPTVXSLVQPY-WFXMLNOXSA-N 475.615 2.316 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2c[nH]c3ccccc23)nnc1N1CCN(CCOC)[C@@H](C)C1 1705934398 LDBJBNAOHJMMTC-SFHVURJKSA-N 472.615 2.184 30 10 JEEE CC(C)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCS(C)(=O)=O)CC1 1706655764 BNENVGGPZRZELY-UHFFFAOYSA-N 460.604 2.130 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCc1cccs1 1706886820 DKXDNQIVGPFXKM-KRWDZBQOSA-N 485.639 2.391 30 10 JEEE CCN(c1nnc(-c2ccc(C#N)cc2)n1CC1([S@](C)=O)CCC1)[C@H]1CCS(=O)(=O)C1 1709938014 HDNQXIPNBZFOSW-PBYQXAPXSA-N 461.613 2.131 30 10 JEEE COCC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1712328966 FJMIBJGGKGUHAF-BTZRARBUSA-N 485.585 2.291 30 10 JEEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)Nc2cccc(C)c2C)CC1 1722315444 MCPPVKVKIDUDSC-QFIPXVFZSA-N 477.613 2.410 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC(C)(C)N1CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1722368601 SEDNPVVZCQRHPX-NJDAHSKKSA-N 477.675 2.309 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H](CC(C)C)NC(=O)OCC 1722380165 GKUJFANGRGNGHY-LJQANCHMSA-N 489.580 2.426 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2c(c1)[C@H](C)[C@@H](C)O2 1722414295 ZDBVLQDRPRZGLL-LZJOCLMNSA-N 473.599 2.003 30 10 JEEE C#CCN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1cnn(CCOC)c1 1722417525 KKKWGSGWZPZPBC-KDURUIRLSA-N 457.579 2.400 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@H](C)N2CCOCC2)CC1 1722432639 ZSGLXMRBEWDTLS-UXHICEINSA-N 456.566 2.033 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2CCS(=O)(=O)Cc2ccccc2)CC1 1722437298 CRMRPOJXAXFAIN-UHFFFAOYSA-N 464.595 2.019 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2C[C@@](O)(c2ccccc2)C(F)(F)F)CC1 1722439709 MTEAARMXRKKLKD-HSZRJFAPSA-N 470.499 2.469 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1ccc(F)cn1 1722446616 FRQOWYSLGJETBQ-UHFFFAOYSA-N 461.501 2.343 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc3cccnc23)nnc1N(C)CCNS(C)(=O)=O 1722493955 AXCRBRWXTWXPFI-RXVVDRJESA-N 470.599 2.460 30 10 JEEE C=C(C)COCCn1c(COc2ccc(OC)cc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1722535367 AFATVZAZJJCPMG-QHCPKHFHSA-N 476.599 2.473 30 10 JEEE C=C(Cn1c(-c2ccc(C)o2)nnc1N1CCN(CC(=O)NCCOC)CC1)c1ccccc1 1722539168 IDEIKRIUFKSPOZ-UHFFFAOYSA-N 464.570 2.445 30 10 JEEE C=CCCOCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCCN(C(C)=O)CC1 1722628264 VJOUPVVFXBCGHC-UHFFFAOYSA-N 468.606 2.103 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)C1CC1 1722660307 RPHWGDSWCOQTAO-NZQKXSOJSA-N 493.605 2.104 30 10 JEEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@H](C)S[C@H](C)C1 1722698559 HXJMROAKNGGQPA-CALCHBBNSA-N 456.620 2.085 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1722731940 SFRTWVUGMDGWQC-RTWAWAEBSA-N 476.599 2.151 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccc(OC2CCCC2)nc1 1723932766 CLXIJKGWMFGTTQ-QVKFZJNVSA-N 477.566 2.095 30 10 JEEE CCc1nc(CCn2c(-c3cccc(C#N)c3)nnc2N2CCCC[C@@H](S(C)(=O)=O)C2)no1 1727457742 DDXPMQQGJKVWNC-GOSISDBHSA-N 469.571 2.408 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@H]1CSCCS1)[C@@H]1CCS(=O)(=O)C1 1740619237 MWKQOODIPAEOTP-CVEARBPZSA-N 452.627 2.322 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H](c1ccccc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1740628907 WEZVJSAYEJJAKM-PWRODBHTSA-N 457.600 2.059 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1Cc1cccn(CC)c1=O 1740631716 WMRMCMBEIGPKQV-UHFFFAOYSA-N 461.522 2.274 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2snnc2C)CC1 1740703610 YLDCRASXFVCROM-UHFFFAOYSA-N 466.527 2.027 30 10 JEEE C#CCSCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(C(=O)COC)CC1 1740716370 WZMUEIKAUJJUQW-UHFFFAOYSA-N 452.584 2.098 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@](C)(C(=O)NC)C1 1740754532 UFYAXXXWKGYJJF-WXVUKLJWSA-N 487.626 2.292 30 10 JEEE C=CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1740881029 UWLBYGUQQRSADS-IFMALSPDSA-N 474.650 2.144 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@](C)(C(=O)NC)C1 1740952984 SFDQFVVPHPUHQO-QRQCRPRQSA-N 460.966 2.336 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1740990798 FTOYECBQGAUUSC-IAGOWNOFSA-N 485.614 2.114 30 10 JEEE CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCOC[C@H]2CCOC2)[C@H](C)C1 1741046218 ZBOFHAZAKGOQHA-WIYYLYMNSA-N 452.559 2.317 30 10 JEEE Cc1nc(N2CCOCC2)sc1-c1nnc(N(C)[C@H](C)CC#N)n1Cc1cccc(C(N)=O)c1 1742046536 CJCJGLUEOKFXME-OAHLLOKOSA-N 480.598 2.432 30 10 JEEE Cc1cc(NC(=O)CN2CCN(c3nnc(-c4cccc(C#N)c4)n3CCOC(C)C)CC2)no1 1742143427 CRXGFVIGARKKOS-UHFFFAOYSA-N 478.557 2.299 30 10 JEEE CN1CC[C@](O)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](OCC(F)(F)F)C2)C1 1748049957 GPJYPCHYXQFKGD-GHTZIAJQSA-N 464.492 2.431 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@@]2(C)CCCO2)c1 1748690825 YOHRMOWCZRWVOR-XMMPIXPASA-N 450.543 2.139 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1CC[S@@](=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1748810415 VVGDXQMDZXEYAZ-VPTFNQTCSA-N 462.641 2.427 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1CCCOC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1748819654 RBGKXBLQYJTRHU-KRWDZBQOSA-N 486.516 2.431 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCCS(=O)(=O)C1 1748868704 FMBOKENUJXCSGJ-HNNXBMFYSA-N 464.389 2.323 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccco1)N1CCCCC1 1748962433 HTPZUQNLOLOQOP-WOJBJXKFSA-N 475.615 2.086 30 10 JEEE C#CCN(CCOC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCCNC(C)=O 1748963036 XANCTIFAXBKOFV-UHFFFAOYSA-N 462.595 2.005 30 10 JEEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2CC2CCS(=O)(=O)CC2)CC1 1748999158 KRUBDHMADFRZEB-UHFFFAOYSA-N 471.627 2.054 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2Cc2conc2COC)CC1 1748999342 QTDWSAXRHXFIHV-UHFFFAOYSA-N 450.543 2.412 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2CCCCN2CCOCC2)CC1 1749010927 SGIFSZUFIVRNES-UHFFFAOYSA-N 480.613 2.032 30 10 JEEE C#CCSCCn1c(Cc2ccsc2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1749044751 TUKLLLZEAQXCHX-UHFFFAOYSA-N 453.659 2.205 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCCCS1(=O)=O 1749073132 HSEQVWRUTMPABB-IIBYNOLFSA-N 461.613 2.229 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N1CCS(=O)(=O)CC1 1749139121 BJVRLLSKUAXWHM-UZLBHIALSA-N 450.536 2.212 30 10 JEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)c1sc(CC)nc1C 1749629908 KLGMFOZMCLDPJS-GJZGRUSLSA-N 454.622 2.322 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H](C)C[C@H]1CC 1749724824 NSYGVLXHUSDXCP-IEBWSBKVSA-N 495.671 2.421 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@]2(CCOC2)C1 1749725482 RNJCNWDCLVPRQK-HXUWFJFHSA-N 452.964 2.195 30 10 JEEE CC(C)(C)c1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2Cc2ccc(C(N)=O)nc2)cc1 1750127325 DFTAHHODCSZEHD-HXUWFJFHSA-N 475.553 2.426 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCCn1nc(C)cc1C)[C@@H]1CCS(=O)(=O)C1 1760188509 BFOFUQYDRZZULJ-HXUWFJFHSA-N 487.655 2.164 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cccc(OCC)c1)[C@@H]1CCS(=O)(=O)C1 1760192197 GEOLXKJETDRVLQ-VWPQPMDRSA-N 488.610 2.076 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H]2CSCCS2)CC1 1760268860 QMDBSGUEPLTBMT-GOSISDBHSA-N 456.641 2.463 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CC[C@@H](OC)C(F)(F)F)CC1 1760270232 VAMOQXPZCJBNKP-DLBZAZTESA-N 457.497 2.453 30 10 JEEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)CCCc1ccccn1 1760300739 KXOAZXTVMPYUEP-AWEZNQCLSA-N 457.398 2.261 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1760313459 OFKWTZXQQDARHI-SFHLNBCPSA-N 460.623 2.087 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CCOc2ccccc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1760325422 QSCXSEBVUBFGJK-CVDCTZTESA-N 489.642 2.399 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2C[C@H](OC)[C@H](OC)C2)nnc1[C@]1(OC(C)C)CCOC1 1760327890 NTSGRZDAZNOKLI-WCZGSDDISA-N 450.580 2.150 30 10 JEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCS(=O)(=O)Cc2ccccc2)CC1 1760382564 TUCBTPLYPMHFIR-SFHVURJKSA-N 481.644 2.050 30 10 JEEE C=CCCOCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1760446234 LFDYTEZHSOZYDB-UHFFFAOYSA-N 474.993 2.364 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccnc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1760477922 PAIULVTVMATVGO-QHCPKHFHSA-N 469.567 2.091 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(C)COCCO1 1760480007 HWWJRNQYMHSMHI-OFNKIYASSA-N 471.583 2.050 30 10 JEEE C=CCN(CCc1ccco1)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCCS(=O)(=O)C1 1760501631 XFVGIUIXBAUHQQ-SFHVURJKSA-N 461.588 2.053 30 10 JEEE C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(=O)Nc2c(C)cccc2C)CC1 1760506209 SYBYLOPFRTVRFD-UHFFFAOYSA-N 474.569 2.489 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@H](C(=O)NC)C1 1760516617 ROAORHPIMOQGFF-OALUTQOASA-N 454.575 2.300 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 1760521318 PSHCVEJVJWLIQQ-QWHCGFSZSA-N 483.520 2.391 30 10 JEEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCN(C(=O)c2c(F)cccc2F)CC1 1760524410 XBLBLMIUJIYDPX-UHFFFAOYSA-N 458.513 2.479 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC(=O)N2CCOCC2)C1 1760537301 MQURNDPJYNQGIM-ROUUACIJSA-N 459.522 2.197 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCC(NC(=O)c2ccccc2)CC1 1760554735 LFJXNHPUMMAZCM-UHFFFAOYSA-N 459.616 2.476 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCO[C@H](c2ccc(F)cc2)C1 1760555704 LAOVXSVLQPKIDP-HKUYNNGSSA-N 450.536 2.100 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCC[C@](C)(C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1760558245 JZEKAQBVOGWSLZ-NHCUHLMSSA-N 451.593 2.050 30 10 JEEE COC(=O)N1CCC(Cn2c(CNC(=O)c3cccs3)nnc2N(C)[C@H](C)CC#N)CC1 1769468357 CNGMUFNJTUXIJJ-OAHLLOKOSA-N 459.576 2.486 30 10 JEEE COCC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2N(C)CCCC2(C)C)CC1 1770681003 BFXMJSUOPLVEFR-JOCHJYFZSA-N 495.628 2.144 30 10 JEEE COc1cc([C@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2CCCNC=O)ccc1O 1862575568 ZWIALKPOEXTHSI-NRFANRHFSA-N 470.478 2.132 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)N2CCC(C)CC2)cn1CCCN1CCOCC1 1870496731 QZFCTDVJJKSNDO-UHFFFAOYSA-N 486.657 2.382 30 10 JEEE C=CCN(CC=C)C(=O)Cc1nonc1OCC(=O)Nc1ccc(I)cc1 1872642270 DAWBACNNJIMGMC-UHFFFAOYSA-N 482.278 2.435 30 10 JEEE C=CCn1c(C(=O)NCc2ccc(OC)c(OC)c2)cc2c(N3CCC(C(N)=O)CC3)ncnc21 1873596315 RDAAYFXWGYFCMN-UHFFFAOYSA-N 478.553 2.266 30 10 JEEE COc1cc(/C=N/n2c(SCC(N)=O)nnc2-c2ccccc2)ccc1OCCN1CCOCC1 1874427306 BOGLTKSIVCHOAF-WGOQTCKBSA-N 496.593 2.124 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1O 2063352481 DIJOBNPFUFQMGN-IKGGRYGDSA-N 454.568 2.450 30 10 JEEE Cn1nc(C(=O)NC2CC(NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2255655022 GXAYHUWJMSAELE-UHFFFAOYSA-N 454.764 2.158 30 10 JEEE CC(C)(C)OC(=O)NCC1(CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)COC1 2255709351 VGLNPVVUELLYHJ-UHFFFAOYSA-N 452.382 2.318 30 10 JEEE CC(C)(C)OC(=O)NC1CN(S(=O)(=O)c2ccc(F)cc2B2OC(C)(C)C(C)(C)O2)C1 2255795688 XMHNYGUZWAGATF-UHFFFAOYSA-N 456.345 2.023 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H]1NS(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2255950109 HOGQAYRIUZVPBX-IAGOWNOFSA-N 452.382 2.320 30 10 JEEE C=C(CS(=O)(=O)N1CC2(C1)CS(=O)(=NC(=O)OC(C)(C)C)C2)B1OC(C)(C)C(C)(C)O1 2255951156 AFNMZULUKPZNDG-UHFFFAOYSA-N 476.426 2.223 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](CO)[C@H](NC(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2266993687 KUIAEASNKOAVLF-WMLDXEAASA-N 466.409 2.395 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](CNC(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1O 2267280171 MMOGGDNPUCIJIX-BMFZPTHFSA-N 466.409 2.441 30 10 JEEE Cn1nc(C(=O)NC2CC(CNC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2267497276 BAIBCZNMBJUSQQ-UHFFFAOYSA-N 468.791 2.406 30 10 JEEE CCc1nn(C)c(C(=O)N(C)[C@@H](C)CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267506651 BICGUMITNAUADD-AWEZNQCLSA-N 450.389 2.267 30 10 JEEE COC(=O)CN(Cc1ccccc1)S(=O)(=O)Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2267710346 SXWCNAGWRCYRIE-UHFFFAOYSA-N 459.373 2.491 30 10 JEEE C[C@H]1CN(Cc2ccccc2)C[C@@H]1NS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2267715298 VTRFIHNHEQVEQZ-UWJYYQICSA-N 457.405 2.180 30 10 JEEE CC1(C)OB(c2cncc(S(=O)(=O)NC3CCN(Cc4ccccc4)CC3)c2)OC1(C)C 2267721031 NLESEANIXFYSGM-UHFFFAOYSA-N 457.405 2.324 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1CC[C@@H](C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)O1 2268711526 MKYCGCMHHYHCFN-KGLIPLIRSA-N 467.397 2.131 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)C2CC(B3OC(C)(C)C(C)(C)O3)C2)[C@H]2CS(=O)(=O)C[C@H]21 2281928008 IAFQZFULIWJURN-SJJHQCBESA-N 484.424 2.104 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(C(=O)OC(C)(C)C)[C@@H]2CC[C@@H]21 2282001175 XRVALXYOKOHORM-JKSUJKDBSA-N 460.384 2.252 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H]3CN(Cc4ccccc4)C[C@H]3C2)n1 2282010513 YEOPCHIBGOPACI-PMACEKPBSA-N 450.392 2.406 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C12CCC2 2282089426 ALIZEHBJISDROG-JKSUJKDBSA-N 458.368 2.342 30 10 JEEE Cc1cc(S(=O)(=O)N(C)C[C@@H](O)COCc2ccccc2)ccc1B1OC(C)(C)C(C)(C)O1 2282325218 BFPLFKXJGSEWLK-HXUWFJFHSA-N 475.416 2.492 30 10 JEEE CC1(C)OB(c2cncc(S(=O)(=O)N3C[C@@H]4CN(Cc5ccccc5)C[C@@H]4C3)c2)OC1(C)C 2282349812 DFQAEHNHPKYXCN-BGYRXZFFSA-N 469.416 2.133 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2COCCN(C(=O)OC(C)(C)C)C2)n1 2282551087 AXJWZOXLGYBHCU-INIZCTEOSA-N 461.368 2.055 30 10 JEEE Cc1nn(C)c(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2F)c1B1OC(C)(C)C(C)(C)O1 2282559460 PMCFTOGVKXHNPF-HUUCEWRRSA-N 466.363 2.105 30 10 JEEE CN(C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1)C1CCC(NC(=O)OC(C)(C)C)CC1 2282614990 LZSZUVSBLBFGHC-UHFFFAOYSA-N 463.388 2.022 30 10 JEEE Cc1cnc(C(=O)NC[C@@H]2CCCN(C(=O)C(F)(F)F)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2282643973 IASJLTVPSJKUSN-AWEZNQCLSA-N 455.286 2.220 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)[C@@H]2COC[C@@H]12 2282710296 MSSPLKDEHGGXKC-IPMKNSEASA-N 458.364 2.350 30 10 JEEE CN([C@@H]1CCCN(Cc2ccccc2)C1)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282858578 ZEKBWBHANHIROU-LJQANCHMSA-N 474.436 2.004 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](C(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)ccc1F)C(C)(C)O 2284051913 UGQJFMSAOLHOQA-KRWDZBQOSA-N 466.359 2.405 30 10 JEEE CO[C@@H](C(=O)NCc1ccccc1B1OC(C)(C)C(C)(C)O1)C1CN(C(=O)OC(C)(C)C)C1 2284067198 HMVBBZXGCVMNIR-LJQANCHMSA-N 460.380 2.484 30 10 JEEE COC(=O)c1[nH]c(C)c(C(O)=C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(C)cc2)c1C 2296924189 YVMXKOLRQGLCHE-QFIPXVFZSA-N 481.549 2.480 30 10 JEEE Cc1scc(C(=O)NC[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2343495376 XILKOCPIFSNZCG-QFIPXVFZSA-N 466.409 2.457 30 10 JEEE Cc1nn(C)c(C(=O)N2C[C@@H]3CC[C@H]2[C@@H]3NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2359277307 CTQSWGCPSBLBNH-YQQAZPJKSA-N 460.384 2.155 30 10 JEEE CC(C)(C)OC(=O)N1CC2(CC[C@@H](NC(=O)c3occc3B3OC(C)(C)C(C)(C)O3)CO2)C1 2362300478 XXCGWQGGHLSUOF-OAHLLOKOSA-N 462.352 2.477 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)N(C)Cc3ccc(OC)c(OC)c3)cc2C1=O 9702300 WTZWWLNDDUGZBL-UHFFFAOYSA-N 452.463 2.301 30 10 JEEE C=CCn1/c(=N\C(=O)C2CCN(S(C)(=O)=O)CC2)sc2cc(C(=O)OCC)ccc21 13789616 IBHBLTWBEAWAHW-QZQOTICOSA-N 451.570 2.164 30 10 JEEE COc1cc(/C=N/Nc2nnc(SCC(=O)Nc3cccc(F)c3)n2N)cc(OC)c1OC 20827148 VTWKHNSMZJJHOY-AUEPDCJTSA-N 475.506 2.334 30 10 JEEE COc1ccc(C(=O)CSc2nnc(N/N=C/c3cccc(OC)c3O)n2N)cc1OC 21318898 MSAUXRVQGGWXKF-LSHDLFTRSA-N 458.500 2.144 30 10 JEEE C=CCn1c(=O)c(=O)n(CC(=O)NCCCN2CCN(c3cccc(Cl)c3)CC2)c2ccccc21 33268731 TWKCPEMOXZWGOR-UHFFFAOYSA-N 496.011 2.331 30 10 JEEE CCCn1c(N2CCN(C)CC2)c(/C=C2/SC(=S)N(CCCOC)C2=O)c(C)c(C#N)c1=O 33812608 XGMKBOPSVIQBIU-XMHGGMMESA-N 489.667 2.428 30 10 JEEE Cc1ccc(C/N=C(\Nc2cccc(C(=O)O)c2)N2CCN(CC(=O)N3CCOCC3)CC2)cc1 46022004 KHOFGBJWBWJVQZ-UHFFFAOYSA-N 479.581 2.138 30 10 JEEE Cc1nc2c(C)cccn2c1/C(O)=C1/C(=O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccco1 103109855 ICGBAZVKEWVXKB-HWCXCKHPSA-N 450.495 2.298 30 10 JEEE C[C@@H](NC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1C1CC1)c1ccccc1 729669352 LXPMIDNZCWTEJO-MRXNPFEDSA-N 455.543 2.273 30 10 JEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2OC)cc1 1214686721 FPBZXAFTGHAQOM-QZTJIDSGSA-N 468.576 2.249 30 10 JEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(c2nnc3n2CCCC3)CC1 1286313877 GMSBNRUZLKNNNB-QGZVFWFLSA-N 474.635 2.004 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H](C)OC)[C@H]1CCS(=O)(=O)C1 1286395635 SIFJJVAKDNHPQH-OTWHNJEPSA-N 495.646 2.054 30 10 JEEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1C[C@H]1CC=CCO1)[C@@H]1CCS(=O)(=O)C1 1286398199 WMJHAZPXPSEMJX-NHCUHLMSSA-N 470.595 2.446 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCN(C)CC(F)(F)F 1286410020 QQEVZTIAZKGUKC-QGZVFWFLSA-N 484.523 2.153 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1CC(F)(F)C1(OC)CCOCC1 1286433383 SDYVZXQVRGNRCE-OALUTQOASA-N 466.529 2.296 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@H](COC)OC)CC1 1286473953 WQGRDVVYHQOWEL-MRXNPFEDSA-N 466.355 2.263 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1286671939 CEKRKINCOPJLJH-QYZOEREBSA-N 467.636 2.076 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCO[C@@H]1CCCC[C@H]1C)C1CC1 1286736675 HQPONBADIZNGQP-RLLQIKCJSA-N 467.636 2.361 30 10 JEEE C=CCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1286771200 BFVUODIOEPJOLR-ZDUSSCGKSA-N 470.393 2.372 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1CCN(C(=O)N2CCCC2)CC1 1286793610 ZKZCVTQSCCFXSV-UHFFFAOYSA-N 499.641 2.219 30 10 JEEE C[C@H](C#N)CN(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(N2CCOCC2)nc1 1286969564 HLDAEOZMWULJIF-QGZVFWFLSA-N 480.598 2.145 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1(C(=O)NCC)CCC1 1300307622 GWFCIHWCZASUEG-SFHVURJKSA-N 450.591 2.216 30 10 JEEE C#CCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1300441355 LTAKKBBSPPOSCB-PKOBYXMFSA-N 458.544 2.127 30 10 JEEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1cccnc1OCC(F)(F)F 1300447104 XSFXDBJUQZHJPU-UHFFFAOYSA-N 469.431 2.375 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1CCc1cc(C)ccc1OC)[C@H]1CCS(=O)(=O)C1 1300488748 VWHRGEVTOFVTTK-FQEVSTJZSA-N 467.595 2.470 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCC(=O)N[C@H](C)CC 1300554088 ZYNCCIYDMXBLBB-QRVBRYPASA-N 456.591 2.426 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1ccc(OC)nc1OC 1300663791 IUSHKGQKLTYTHR-UHFFFAOYSA-N 475.509 2.140 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCSc2ccccc2)CC1 1300699992 KHJVEUMCFGFROS-IBGZPJMESA-N 459.641 2.118 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2Cc2ccccc2OCCOC)CC1 1300719665 LFIDRVSRSQZLPX-UHFFFAOYSA-N 462.554 2.313 30 10 JEEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1300746561 UGGLWNZXXIMLMU-HNNXBMFYSA-N 469.036 2.126 30 10 JEEE C#CCSCCn1c(COc2cccc(C)c2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1300770786 YYGMCNYUKFWDMW-UHFFFAOYSA-N 468.583 2.053 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(OC)c(OC)c1 1300805878 JZZXNROMJIABPH-WZONZLPQSA-N 458.584 2.432 30 10 JEEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCc2nc(O)c(C#N)cc2C1 1300831106 REGUEAGVAMKGEL-ZDUSSCGKSA-N 463.336 2.446 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)nnc1C(C)(C)C 1300896722 IXFRQAKLALQORW-ZCNNSNEGSA-N 481.663 2.188 30 10 JEEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C(C)=O)cc2F)CC1 1300928392 CDDXJDCYKKLFES-OAHLLOKOSA-N 464.567 2.133 30 10 JEEE C=C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1301095523 IUBYLLSRHIDZCX-LJQANCHMSA-N 456.572 2.309 30 10 JEEE C=CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCNS(=O)(=O)CC 1301294041 KXBQUKZYULWAMC-KRWDZBQOSA-N 470.640 2.344 30 10 JEEE C=CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1CC(C)(C)C(=O)NC 1301416775 JRRLOHASOPBOQH-UHFFFAOYSA-N 453.385 2.457 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCn1ccnc1C 1301423882 CQQUVMUSYUWETI-IBGZPJMESA-N 475.594 2.430 30 10 JEEE C=CCn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1301446033 WALXIBGCJKDHSA-KRWDZBQOSA-N 466.546 2.460 30 10 JEEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 1301459120 QAMGVOKMTWZKEE-CQSZACIVSA-N 467.954 2.121 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(C(=O)NCC)CC1 1301568418 GJQZLGCBBHSVNJ-QGZVFWFLSA-N 494.593 2.010 30 10 JEEE CC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCN(CC)CC2)CCO1 1306448024 DFWAAMLHAMBRGC-JOCHJYFZSA-N 467.618 2.372 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCO[C@@H]1CCOC1 1358885191 FITWLRUYLWGMRF-ZWKOTPCHSA-N 450.543 2.328 30 10 JEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCOCC1CCOCC1 1358949884 QEHKWQJKYUWDNV-HXUWFJFHSA-N 477.606 2.489 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCc1ccc(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1358961989 ICIRSMQAWHJXQJ-FPOVZHCZSA-N 488.610 2.406 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@H]1CCCN(C(C)=O)C1)[C@H]1CCS(=O)(=O)C1 1358968104 ZMENWTNPYWPFSQ-VXKWHMMOSA-N 499.637 2.051 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2ccc(Br)s2)CC1 1359034857 FCGOFBYSUQFQPS-OAHLLOKOSA-N 463.405 2.051 30 10 JEEE C=CCCCCn1c(N2CCN3C(=O)N(CC)C(=O)[C@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1359206874 RYEBCRJOSGEEAA-WZONZLPQSA-N 460.579 2.148 30 10 JEEE C=CCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1359216240 RUCJFNNUOIBNOR-NRFANRHFSA-N 454.575 2.403 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(OC)nc2ccccc12 1359281733 IEKGGEPZVOTNGW-QGZVFWFLSA-N 471.583 2.424 30 10 JEEE C[C@H](C#N)CN(C)c1nnc(COc2ccc(F)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1359476323 BOWRLDBMOOFYDM-NVXWUHKLSA-N 450.540 2.016 30 10 JEEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccc(C(=O)N[C@@H](C)C(=O)OCC)cc2)c1 1444958382 VBURAWRUFLHGMZ-INIZCTEOSA-N 456.520 2.417 30 10 JEEE CC(=O)N1CCN(c2ccc(CNC(=O)CCc3c(C)nc4c(C#N)cnn4c3C)cc2)CC1 1447713720 RNLQOIVOFLNYIT-UHFFFAOYSA-N 459.554 2.135 30 10 JEEE C#CCC1(O)CCN(C(=O)CCNS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 1471522536 ZCTKKXIGODIJIH-UHFFFAOYSA-N 452.882 2.404 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1507519248 GLVGRWAUIIAXRH-CABCVRRESA-N 466.405 2.447 30 10 JEEE C#CCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CC[C@H](N1CCOCC1)C(F)(F)F 1507610223 ALOOUPGCZVLZOH-IBGZPJMESA-N 465.476 2.439 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CC[C@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1507629102 RIJQACSHRIZHEW-MOPGFXCFSA-N 464.975 2.031 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1CCCN(CC)CC)[C@H]1CCS(=O)(=O)C1 1507630474 ZZODCTLBNAQKGO-IBGZPJMESA-N 473.599 2.032 30 10 JEEE C#CCSCCn1c(CC2CC2)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 1507754528 DVZSAPHGKUCDTN-UHFFFAOYSA-N 458.676 2.414 30 10 JEEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 1507842715 KVYHWZUEHBXQEC-LEWJYISDSA-N 482.633 2.145 30 10 JEEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1508047280 DSAAEBSIYQGDNR-JKSBSHDWSA-N 461.588 2.154 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](c2ccc(Cl)cc2)C1 1508073954 ZSLDEGXJHJTLHM-SFHVURJKSA-N 458.950 2.048 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H]2CCOC2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1508103651 HKIAVPKLGODNGB-LJQANCHMSA-N 475.615 2.255 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCCc1cnn(C)n1 1513394862 BRTSILLRXPXTMG-UHFFFAOYSA-N 490.616 2.156 30 10 JEEE CCN1C[C@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CC(=O)N(CCOC)C2)C[C@@H]1C 1515822039 GZPDPPAGFLLIJL-ONTIZHBOSA-N 495.628 2.143 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(N2CCCC2)CCOCC1 1538982977 MLHVEYYXXSPZDL-LJQANCHMSA-N 471.627 2.452 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1539291695 WGZJIGMQTIGFID-WOJBJXKFSA-N 463.586 2.276 30 10 JEEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1CCc1ccc(S(C)(=O)=O)cc1 1539377757 MHZQOKSCKXFROM-UHFFFAOYSA-N 471.608 2.375 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 1539447832 WWRFXFXRAHMPPW-WOJBJXKFSA-N 458.607 2.184 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)Oc2ccccc2C)CC1 1539462637 KFCUHQQJFLTKQZ-FQEVSTJZSA-N 478.597 2.256 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2C[C@]2(O)CCC[C@H]2C)CC1 1539475446 GKSDYRIHSKCVJD-IQGLISFBSA-N 451.571 2.471 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2CC2(N(C)C)CCOCC2)CC1 1539483312 WMSVNFTWJXKHKL-UHFFFAOYSA-N 482.604 2.085 30 10 JEEE C=C(Br)Cn1c(COc2ccccc2OC)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1539608194 WAJSNXQLPLCHPG-GJZGRUSLSA-N 462.348 2.489 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(OCC)CCCC1 1539668696 CGGGUNDCSOVXGH-SFHVURJKSA-N 455.625 2.363 30 10 JEEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1539730021 VTTDCKNVNPQSJZ-SIKLNZKXSA-N 489.642 2.098 30 10 JEEE C=CC[C@@H](Cn1c(Nc2cnn(C)c2)nnc1[C@@H]1CN(S(C)(=O)=O)CCO1)c1ccccc1 1539948778 RTWDBWJMVVSODI-ICSRJNTNSA-N 471.587 2.448 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc3cccnc23)nnc1N1CCN(C(=O)OCC)CC1 1540900424 VGRYSTMMXUAVAW-UHFFFAOYSA-N 484.582 2.373 30 10 JEEE CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2nc(C)cc2C)CCO1 1541073722 CMUQSPJKQHNOKA-JOCHJYFZSA-N 462.558 2.062 30 10 JEEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCOC[C@H]2c2noc(-c3ccccc3)n2)cc1 1567471624 YLUDNGPMWMSSFZ-IBGZPJMESA-N 454.508 2.415 30 10 JEEE Cc1nnc([C@@H]2Cc3ccccc3CN2C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)o1 1586490950 FNANXBCXGIBBCP-XOBRGWDASA-N 451.508 2.243 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CC3)n2C[C@H](N2CCOCC2)C(F)(F)F)c1 1587689900 SFTSYCXAAPPWPD-IBGZPJMESA-N 476.503 2.475 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ncc(CC)s2)c1 1587692622 GZMUBALPSJGXBL-QGZVFWFLSA-N 498.634 2.304 30 10 JEEE C#CCN(c1nnc(-c2ccccc2F)n1Cc1c(C)nn(C)c1C)[C@@H]1CCS(=O)(=O)C1 1588046201 ZOJOXUFWHHDHFT-QGZVFWFLSA-N 456.547 2.110 30 10 JEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@H]1CCN(CCc2ccccc2)C1 1588245967 XIINXDHMFWBYHK-DEOSSOPVSA-N 458.610 2.428 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@H](c2ccc(C)cc2)N(C)C)CC1 1588923524 CHDKXLOFNPENPH-HSZRJFAPSA-N 472.597 2.312 30 10 JEEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1589053569 QULRCJDRYKBCKK-JOCHJYFZSA-N 483.686 2.246 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H](COC)OC 1589164425 URGJFILXNLNBSO-HTAPYJJXSA-N 460.604 2.200 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1589215630 CJJPBZHSWXOCCR-VWKPWSFCSA-N 451.593 2.086 30 10 JEEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(=O)CC2CCCC2)CC1 1589708386 KPSPVULBHHBECO-QGZVFWFLSA-N 452.625 2.083 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)O[C@H](c2ccsc2)C1 1593635895 BWCLMUUSIQLTJD-NJAFHUGGSA-N 467.617 2.215 30 10 JEEE C=CCCOCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(S(C)(=O)=O)CC1 1594812424 FNCKKGLGIYVWIZ-UHFFFAOYSA-N 489.646 2.058 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1595577008 FXGPDNDEPFZKMC-RUZDIDTESA-N 468.602 2.077 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1595593722 HKLXLTRNEZEHFM-UHFFFAOYSA-N 491.474 2.403 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCCNC(C)=O)C1 1595752584 APPCDOMDBDGHRO-OTWHNJEPSA-N 462.595 2.356 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCCN(c2nccs2)CC1 1595788910 KLNOMDSHUNURNF-UHFFFAOYSA-N 473.628 2.423 30 10 JEEE CCN1CCN(CCCn2c(-c3cccc(C#N)c3)nnc2N2C[C@@H](COC)O[C@H](C)C2)CC1 1615888583 FIUOPWWUKPTPCL-OFNKIYASSA-N 467.618 2.084 30 10 JEEE CN(Cc1ncnn1CC(F)F)c1nnc(-c2ccc(C#N)cc2)n1CC1(S(C)(=O)=O)CCC1 1618025112 AXUVIDANKGNLLE-UHFFFAOYSA-N 490.540 2.277 30 10 JEEE CN(CCN1CCOC(C)(C)C1)c1nnc(-c2ccc(C#N)cc2)n1CC1(C(N)=O)CCCC1 1618296829 FIFBEAZDIUKRNW-UHFFFAOYSA-N 465.602 2.409 30 10 JEEE CS(=O)(=O)NC[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCS2)C1 1620173281 CSKPXPPQRFPSSJ-UYAOXDASSA-N 490.655 2.390 30 10 JEEE C=CCn1cc(CNC(=O)[C@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc(F)cc2)nn1 1630445356 AHMZCQIJALLUTO-OAQYLSRUSA-N 455.515 2.035 30 10 JEEE CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@]2(C)CN(C(=O)OC(C)(C)C)CCO2)c1 1637629972 QMYGQHRRADELQJ-JOCHJYFZSA-N 450.557 2.239 30 10 JEEE C#Cc1cccc(NC(=O)NC(=O)CN(C)Cc2cccc(N3C[C@@H](C)CS3(=O)=O)c2)c1 1653449470 ULGAVHIJONBXKK-QGZVFWFLSA-N 454.552 2.234 30 10 JEEE N#CCC1(CS(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)CC1 1653518436 FPZUDTIDSRKGJP-UHFFFAOYSA-N 451.492 2.035 30 10 JEEE C=CCCc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cccc(S(=O)(=O)NC)c2)cc1 1660071810 HLMHCZRHRSKPKA-HNNXBMFYSA-N 451.570 2.019 30 10 JEEE CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1 1676454373 CNZIHZCZCKKQAS-FQEVSTJZSA-N 457.556 2.144 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cn3nc(C)cc3C)n2Cc2cccn(CC)c2=O)c1 1689873341 FHZNPZWBNQXAJJ-UHFFFAOYSA-N 498.591 2.426 30 10 JEEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1689930346 PUTPEGVCEPXCGJ-HXUWFJFHSA-N 457.600 2.405 30 10 JEEE C#CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1CC(=O)NCC(F)(F)F 1689949641 MOMXHMMKTRAVFV-UHFFFAOYSA-N 460.254 2.464 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1C[C@@H](C)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1689980607 VERRBCGWMVAOPO-ZACQAIPSSA-N 453.609 2.332 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCN(CCC)C1)[C@H]1CCS(=O)(=O)C1 1689983988 IXVYUCKWIFTTRM-IRLDBZIGSA-N 466.611 2.175 30 10 JEEE C#CCN(c1nnc(-c2ccc3ccccc3n2)n1CCN(C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1689984865 XECARWZBBFICKI-HXUWFJFHSA-N 466.611 2.460 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(CCOC)C(=O)C1 1690238965 PWLSPEHRGNVXMB-JPYJTQIMSA-N 485.585 2.239 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 1690669337 AYULYJXPOHSWFG-APWZRJJASA-N 461.588 2.423 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC[C@H](C[C@H]3CCOC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1690677338 UXTUIPRVLSXJMY-YOSAUDMPSA-N 461.607 2.264 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](NC(=O)CC)C1 1690682529 RDUHKVUGEUXLAY-RBUKOAKNSA-N 452.559 2.337 30 10 JEEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 1690733886 PYJNXJVVDWIZGA-DYVFJYSZSA-N 485.598 2.337 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CC1CC(F)(F)C1 1692862487 FNPMWWKILJIWMJ-RDTXWAMCSA-N 480.541 2.383 30 10 JEEE CCCNC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2nncn2CC)C1 1695412407 CKMKSXRPTFZVMC-LJQANCHMSA-N 477.573 2.131 30 10 JEEE COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2nc(C)cc2C)CC1 1697707636 DAAGJEOJMZVXEY-UHFFFAOYSA-N 462.558 2.015 30 10 JEEE N#C[C@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2ccc(Br)s2)CCO1 1698492821 GDTVOUPLYGZKRO-AAEUAGOBSA-N 451.350 2.025 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1CCN1CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1705565818 WNWMOUXMJGTNGV-OALUTQOASA-N 457.600 2.065 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1CC1(C(=O)N(C)C)CCCC1)[C@@H]1CCS(=O)(=O)C1 1705566365 NCYSJBGAZOXSAH-GOSISDBHSA-N 463.648 2.142 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1Cc1cnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1705571078 VQTIIOMWJOBCQE-GOSISDBHSA-N 459.572 2.448 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCOc2ccc(C)cc2)CC1 1705653029 WUHLSQXMJPZBKA-GMAHTHKFSA-N 481.597 2.355 30 10 JEEE C=CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1705890529 VHNHJYPTXRIKST-SFHVURJKSA-N 482.651 2.344 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@H](N2CCCCC2)C1 1705898429 LMTMGAMWPSKVOL-SFHVURJKSA-N 454.575 2.329 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 1705935783 CXPZEGRACAQCGT-ZWKOTPCHSA-N 483.635 2.266 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CCN(C(=O)OCC)CC1 1705937828 GATDTBVUTASAJO-UHFFFAOYSA-N 477.587 2.045 30 10 JEEE CC(C)(C)NC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC2(O)CCOCC2)CC1 1706154121 BLMZSTAIMFFYSK-UHFFFAOYSA-N 481.601 2.378 30 10 JEEE CC(C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1706204339 FPJMGHVFVFZXOC-LJQANCHMSA-N 452.559 2.242 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H](c1ccco1)N(C)C)[C@H]1CCS(=O)(=O)C1 1722358625 DUKOFXILWBCNFF-VQTJNVASSA-N 498.565 2.376 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCCOCC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1722360645 BLTSJYGASYGQKC-HSZRJFAPSA-N 497.621 2.277 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@@H](c1ccco1)N(C)C)[C@H]1CCS(=O)(=O)C1 1722361384 HSMTYVDCHPXKDV-FPOVZHCZSA-N 483.594 2.476 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1CC(C)(C)N[C@@H](C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1722361699 OJXKNAQUIVLVPC-PZJWPPBQSA-N 493.637 2.491 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Cl)n1CC1(O)CC(OCC)C1)[C@@H]1CCS(=O)(=O)C1 1722363765 VJURLHCMGPJJMN-CSZIGFGKSA-N 479.002 2.155 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCCN(C)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1722366800 KOZBCDICAAEOHQ-XZOQPEGZSA-N 485.654 2.321 30 10 JEEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC1CCC(C(F)(F)F)CC1)[C@@H]1CCS(=O)(=O)C1 1722368649 SKTNQMHRNCFIDY-BACDZXNISA-N 487.548 2.225 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccc(F)cc2F)CC1 1722443022 AABQDALPSLEFLB-XMMPIXPASA-N 473.524 2.223 30 10 JEEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1722479246 GWQYMZWNJLQCPB-VQIMIIECSA-N 458.401 2.212 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)CCC(=O)NC 1722496729 ZMRRLNIOLVDJTL-PKOBYXMFSA-N 489.646 2.100 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1722508948 VCQZJJUILNJEJY-MTNOOBJLSA-N 460.579 2.314 30 10 JEEE C=CCCOCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@]2(CCOC2)C1 1722629598 MHLIMAMWBOUZTP-YADARESESA-N 493.605 2.175 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC2(CCN(C)C2=O)CC1 1722688871 NJYMXIBZJIWHOM-KRWDZBQOSA-N 470.549 2.308 30 10 JEEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(n2cc(Cl)cn2)CC1 1722701856 GQXIYMILHJCZCC-UHFFFAOYSA-N 489.005 2.263 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1722706066 MHEDMRVQODRIHP-KRWDZBQOSA-N 469.521 2.449 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 1722725976 VUNJIXRQIWQXBK-UHFFFAOYSA-N 484.557 2.042 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(Cc2c(CC)nn(C)c2Cl)CC1 1722727664 PRNCSTBIAZQYAN-UHFFFAOYSA-N 496.081 2.418 30 10 JEEE C#CCN(c1nnc(Cc2c[nH]c3ccccc23)n1CCC(=O)N[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1740623912 CNZCTUYUFFOYFV-UYAOXDASSA-N 496.637 2.282 30 10 JEEE C=C(Cl)Cn1c(Cc2ccccn2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1740811856 FBMTZAWTHPXUEV-UWJYYQICSA-N 458.010 2.395 30 10 JEEE C=C(Cl)Cn1c(Cc2csc(C)n2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1740813834 IEJUTOPXFGROSC-UHFFFAOYSA-N 492.049 2.327 30 10 JEEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1740943185 VOOKZNZCJOYQQS-UTKZUKDTSA-N 486.020 2.036 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCC(CC(=O)N(C)C)CC1 1740988820 QHGXVBKQTZQUGK-UHFFFAOYSA-N 475.615 2.249 30 10 JEEE CC(C)OC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCN2CCCO)CCO1 1741753384 CMQXDPLGCGQISA-GOTSBHOMSA-N 468.602 2.294 30 10 JEEE C[C@@]1(C#N)CCCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1741983084 FPYMOYWELNWIMI-LEWJYISDSA-N 463.991 2.202 30 10 JEEE CCCN1CC[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@H](C(=O)OC)C2)C1 1745691762 HOBOFBQLGHKHAB-UXHICEINSA-N 452.559 2.460 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OCC)CCOC3)n2C[C@H]2CC=CCO2)c1 1748691241 BFXIJPYEYPNZST-BWKNWUBXSA-N 465.554 2.332 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CCC3)n2CCN/C(O)=C2/N=CC=CC2=O)c1 1748693172 ZTZDUTWEECYPAC-GYHWCHFESA-N 473.537 2.128 30 10 JEEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2c(F)cccc2F)CC1 1748710331 MQZFKHZTMCRDSV-SFHVURJKSA-N 456.497 2.273 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccnc(OCC2CC2)c1)[C@@H]1CCS(=O)(=O)C1 1748802199 NFUKGQJLPLNGFX-LJQANCHMSA-N 457.600 2.434 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1cccc(C(OC)OC)c1)[C@@H]1CCS(=O)(=O)C1 1748815645 SMGVFSZEADEOLH-RTWAWAEBSA-N 488.610 2.486 30 10 JEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1CCN1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1748821225 NMAMGBKEKANVIN-QHCPKHFHSA-N 499.681 2.431 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H](C)N1CCOCC1 1748858858 JPQQAHNLKWWHCZ-PMACEKPBSA-N 456.591 2.144 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H](C)CN1CCOCC1 1748859462 VBNUSILQISAXEH-RTWAWAEBSA-N 470.618 2.391 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(O)(CC)CC 1748881141 DESGLYZPTYGMJZ-UHFFFAOYSA-N 457.600 2.209 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(=O)NC1CCCCC1 1748886673 LEFIPEFPALQUPB-UHFFFAOYSA-N 471.565 2.104 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@H](C)N2CCOCC2)CC1 1748976785 AHEORJWHZCIOAH-UXHICEINSA-N 456.566 2.033 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1748980119 ZYJFQQJFCRFUKG-RBUKOAKNSA-N 460.376 2.003 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCOc2ccc(F)c(F)c2)CC1 1749000910 DGZXVAFVECGDCS-UWJYYQICSA-N 461.513 2.115 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCN(C)[C@H](C)CC)CC1 1749009970 YJXAWXNUCPLGCE-GOSISDBHSA-N 490.612 2.290 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CCc2ccc(OC)c(OC)c2OC)CC1 1749015620 ZDRBIUJUPRJVEI-UHFFFAOYSA-N 455.559 2.075 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@]2(O)CCC[C@@H]2C)CC1 1749019275 RFTGXJZHRHVFJD-AFMDSPMNSA-N 481.597 2.383 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(Cl)cc2)n1CC1(O)CCS(=O)(=O)CC1 1749069431 YJBYWNYYWWSSQN-OAQYLSRUSA-N 463.003 2.454 30 10 JEEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1749402571 PKEOGMRFUSGRPM-FUHWJXTLSA-N 463.608 2.111 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCO[C@]2(CCOC2)C1 1749657762 FDQWRHYAOKPBJG-XMMPIXPASA-N 471.558 2.039 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1749676173 HHHVRXKHGANCMP-LJQANCHMSA-N 469.590 2.259 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N(C)CC(=O)Nc1cc(F)cc(F)c1 1749729460 KEZSRVWTBNUBSF-UHFFFAOYSA-N 464.498 2.227 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1749730974 XOKZQWCJVVVROX-SJORKVTESA-N 493.634 2.019 30 10 JEEE CC(C)OC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCS(=O)(=O)C2)CCO1 1751036675 BNESNOPPAYWGEU-FPOVZHCZSA-N 473.599 2.272 30 10 JEEE C[C@H]1CCCN(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCCN(S(C)(=O)=O)CC2)C1 1752173642 AIGZZMOWORWNBW-IBGZPJMESA-N 471.631 2.020 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1nc2c(s1)CCCC2 1760117287 NRFSRAGMCPDRBZ-SJLPKXTDSA-N 492.671 2.037 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H](c1ccc(F)cc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1760189402 OTKCUPJVHUQSJV-YADHBBJMSA-N 482.585 2.409 30 10 JEEE C#CCN(CCOC)c1nnc(Cc2ccc(F)cc2)n1Cc1cccc(N2CCOCC2)n1 1760251165 XBDUJJUGQVOWQT-UHFFFAOYSA-N 464.545 2.374 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2Cc2cc(OC)c(OCC)c(OC)c2)CC1 1760258966 FJJQUPYXOJDOGN-LJQANCHMSA-N 455.559 2.001 30 10 JEEE C#CCSCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CC[C@](C)(C(N)=O)C1 1760279986 LGFDLGUGCMSERF-DEOSSOPVSA-N 479.610 2.304 30 10 JEEE C#CCSCCn1c(N2CCO[C@@H](Cn3nc(C)cc3C)C2)nnc1[C@]1(OCC)CCOC1 1760286644 QHMFBMSIQPNMEN-OFNKIYASSA-N 474.631 2.015 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](Cc2ccc(F)cc2)C1 1760346383 VWMABLAFUMIZRF-ICSRJNTNSA-N 463.579 2.395 30 10 JEEE C=C(Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1)c1ccccc1 1760360388 AICIZMCAWBEBGR-UYAOXDASSA-N 455.559 2.270 30 10 JEEE C=C(Cn1c(-c2cnccn2)nnc1N1CCN(CC(=O)N(CC)CC)CC1)c1ccccc1 1760363071 DEPWWQGPOXXLOF-UHFFFAOYSA-N 460.586 2.439 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCN(C(C)=O)C[C@H]2C)cc1 1760530238 MEIQLOFIFKKRFC-GOSISDBHSA-N 452.559 2.184 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2C[C@@](C)(O)[C@H](C)CC)C1 1760537359 MKOMFZYINWZBLL-HCLVMJGWSA-N 452.563 2.499 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@@](C)(OC)C1 1760556901 SYPGUYVOBAWNNB-JOCHJYFZSA-N 458.588 2.123 30 10 JEEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1760559776 KSQFEVPFOAMMHM-IRXDYDNUSA-N 453.638 2.154 30 10 JEEE CCN1CCN(C[C@H](C)Cn2c(Cc3ccccc3F)nnc2N2CCO[C@H](C#N)C2)CC1 1765556634 DUHUJNUONXWUHM-PZJWPPBQSA-N 455.582 2.010 30 10 JEEE CNC(=O)C(C)(C)Cn1c(-c2ccccn2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1767546276 BSFYKXNGTJIQJQ-UHFFFAOYSA-N 458.570 2.306 30 10 JEEE COc1ccc(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@H]2CCCCS2(=O)=O)cc1 1768733376 HSDASVIYXDAWRT-WIYYLYMNSA-N 463.535 2.275 30 10 JEEE O=C(ON1C(=O)c2ccccc2C1=O)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 1772791024 JPQOGRBHGHZMJU-UHFFFAOYSA-N 450.419 2.120 30 10 JEEE N#Cc1ccccc1NC(=O)[C@H]1CCN(C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)C1 1858376610 RQYKEKXJBMJYMJ-IBGZPJMESA-N 452.536 2.444 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H](C)O)[C@@H]2c2ccc(O)c([N+](=O)[O-])c2)cc1OC 1862578422 FCKXBAXFOMGZNM-JEOXALJRSA-N 458.423 2.277 30 10 JEEE CC(=O)Nc1ccc(C)c(NC(=O)[C@H](CO)NC(=O)C2CCN([C@@H](C#N)c3cccs3)CC2)c1 1866866219 FYZPNDNNNVQSTA-SFTDATJTSA-N 483.594 2.407 30 10 JEEE CC(=O)Nc1cccc(NC(=O)[C@@H](CO)NC(=O)C2CCN([C@@H](C#N)c3cccs3)CC2)c1 1866866693 JLDNMAIDJUPQEG-UXHICEINSA-N 469.567 2.099 30 10 JEEE C=CCn1cc(OCC(=O)N(C)C2CCCCC2)c(=O)cc1CN1CCN(C(=O)OCC)CC1 1870504994 GAILRYBQMAKNJF-UHFFFAOYSA-N 474.602 2.478 30 10 JEEE C=CCn1cc(OCC(=O)NCCc2ccccc2)c(=O)cc1CNc1ccc(S(N)(=O)=O)cc1 1870957857 ODHDAGHVQXZHTF-UHFFFAOYSA-N 496.589 2.032 30 10 JEEE C=CCN(CC=C)c1nc(=NCCCOCCCC)[nH]c(=Nc2ccc3c(c2)C(=O)N(C)C3=O)[nH]1 1871631615 DNMCWTOPUASYML-UHFFFAOYSA-N 479.585 2.482 30 10 JEEE CC(C)(C)OC(=O)NC[C@]1(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CC1(F)F 1887013702 HOWXSSLNNNDGAP-IBGZPJMESA-N 454.283 2.264 30 10 JEEE N#Cc1ccnc(O[C@H]2CCN(C(=O)[C@@H]3CCCN(S(=O)(=O)c4ccc(F)cc4)C3)C2)c1 1890120322 WDPBXGYSDHGGAW-MJGOQNOKSA-N 458.515 2.173 30 10 JEEE N#Cc1ccnc(OCC2CCN(C(=O)[C@@H]3CC(=O)N(c4ccc5c(c4)OCCO5)C3)CC2)c1 1891499724 WJXXLRSTAGOZIL-LJQANCHMSA-N 462.506 2.395 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](O)CN1C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C 2067385756 QHDUHORGZMZDED-BRWVUGGUSA-N 454.568 2.450 30 10 JEEE C#CC[C@@H]1CN(C(=O)c2cc(I)cc(I)c2O)CCO1 2195286525 JRZOEACNZCHTHU-SNVBAGLBSA-N 497.070 2.466 30 10 JEEE CC1(C)OB(c2cscc2S(=O)(=O)N2CC(NC(=O)OCc3ccccc3)C2)OC1(C)C 2243417423 SPVJRWMIHFCAKK-UHFFFAOYSA-N 478.401 2.347 30 10 JEEE Cc1nn(C)c(C(=O)N[C@H](C)CCN(C)C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267520756 MJUQEZJYPZWKCB-CQSZACIVSA-N 450.389 2.403 30 10 JEEE CCC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1c(C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2267530226 XCQHAJUNQKCBTO-HNNXBMFYSA-N 450.389 2.451 30 10 JEEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCC[C@@H](CNC(=O)C(F)(F)F)C3)s2)OC1(C)C 2267710997 DICRNIVFLCMPCJ-LBPRGKRZSA-N 482.355 2.127 30 10 JEEE CC(C)(C)OC(=O)N1[C@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C[C@@H]2CCC[C@@H]21 2268652268 FMSSCHDIWBOINM-IHRRRGAJSA-N 464.397 2.376 30 10 JEEE COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1NC(=O)COCCNC(=O)OC(C)(C)C 2268662991 GNOYDMITPAPMON-UHFFFAOYSA-N 450.341 2.474 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1COC[C@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2281770838 AANPCLGZWPZFJC-CRAIPNDOSA-N 464.343 2.394 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1COC[C@@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2281791533 ZCVJFRUBQWYIQF-KSSFIOAISA-N 464.343 2.394 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@](CNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)(C2CC2)C1 2281927489 ADUZOJVPYFMKIL-HSZRJFAPSA-N 460.384 2.476 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CCC1(F)F 2281985178 IPMRPLXLAZNQIV-AWEZNQCLSA-N 470.326 2.474 30 10 JEEE Cc1ccc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2O)cc1B1OC(C)(C)C(C)(C)O1 2282132752 TZTVOIPVAAOEGI-OALUTQOASA-N 460.380 2.394 30 10 JEEE CN1CCN(C(=O)OC(C)(C)C)[C@H](CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2282180637 VTKBLQIZHJVQCT-LJQANCHMSA-N 459.396 2.267 30 10 JEEE CN(C[C@@H](O)CN(C)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1)C(=O)OC(C)(C)C 2282472991 FOEAZYLMSFTYNJ-INIZCTEOSA-N 466.359 2.425 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@]2(C[C@@H](NC(=O)c3ncsc3B3OC(C)(C)C(C)(C)O3)CO2)C1 2282515042 MGDRHAXONXBKKH-JLCFBVMHSA-N 479.408 2.341 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@@](C)(CNC(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)C1 2282523948 FOMBAPMRXWDQJT-QFIPXVFZSA-N 481.424 2.446 30 10 JEEE CCn1cc(C(=O)NC[C@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)nc1B1OC(C)(C)C(C)(C)O1 2282540985 RGVPSMPFSRQYIY-WNSKOXEYSA-N 460.384 2.189 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 2282588234 SZUXSLCERFFOHX-INIZCTEOSA-N 462.400 2.499 30 10 JEEE Cn1cc(C(=O)NC2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)c(B2OC(C)(C)C(C)(C)O2)n1 2282589122 YOXGJZODAIFNMG-GJZGRUSLSA-N 460.384 2.095 30 10 JEEE C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282829662 ICXZKFTXTOBFRM-NVXWUHKLSA-N 481.424 2.447 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N(Cc1ccccc1)[C@H]1COC(C)(C)C1 2282849215 XUZNUOVNSXIIIU-GOSISDBHSA-N 475.420 2.478 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N1[C@H]2CC[C@H]1CN(C(=O)C(F)(F)F)C2 2285211222 RSHGEOIQMMIBMT-GJZGRUSLSA-N 453.270 2.067 30 10 JEEE C=CCN1C(=O)C(=Cc2c(N3CCC(C(N)=O)CC3)nc3c(C)cccn3c2=O)SC1=S 2297460486 LEJJOHIKZSBYEH-UHFFFAOYSA-N 469.592 2.092 30 10 JEEE COCCn1cc(C#C[C@@H](N)[C@@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)cn1 2340408492 SGDHFKXKAKNYBM-RCZVLFRGSA-N 453.587 2.378 30 10 JEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@](C(=O)O)(N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C1 2346931397 PPJTXQYARNHEBM-SKPFHBQLSA-N 458.559 2.176 30 10 JEEE COc1ccc(NC(=O)CSc2nnc(N/N=C/c3ccc(OC)c(OC)c3)n2N)c(OC)c1 20292790 GJWJNHDUCQJLPI-FOKLQQMPSA-N 487.542 2.203 30 10 JEEE COC(=O)c1ccc(/C=N/Nc2nnc(SCC(=O)NCc3cccc(Cl)c3)n2N)cc1 20913434 VFWAYPFFBAKSEI-BHGWPJFGSA-N 473.946 2.286 30 10 JEEE CCN(CC)S(=O)(=O)c1ccc(OC)c(N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 23335675 NAELZHVODBKRPJ-UHFFFAOYSA-N 492.623 2.108 30 10 JEEE COCCn1cc(/C=N/Nc2nc(SCC(=O)NCCc3ccc(Cl)cc3)n[nH]2)cn1 59886939 ACUKERZOWZSHBP-LSHDLFTRSA-N 462.967 2.198 30 10 JEEE COC(=O)c1ccc(NC(=O)CSc2nnc(N/N=C/c3cc(OC)ccc3O)[nH]2)cc1 253560791 BGJFYPDRIOLLDI-UFFVCSGVSA-N 456.484 2.482 30 10 JEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC(F)F)c2)c(=O)n1-c1ccccc1C#N 489182768 GBUAAGHRICSFDF-UHFFFAOYSA-N 478.480 2.177 30 10 JEEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccc(OC(F)F)cc1 729670638 ZREMYCFYTIGFBO-UHFFFAOYSA-N 495.511 2.176 30 10 JEEE CC#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@](C)(CO)C(=O)O 757212172 PXOFSHVOFZIEMF-OFVILXPXSA-N 450.491 2.259 30 10 JEEE CC(C)(C)OC(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1[nH]nc(N2CCOCC2)c1C#N 1151224130 APBOUVCVKDSSHC-GOSISDBHSA-N 452.515 2.418 30 10 JEEE C=CC1(CC(=O)N2CCO[C@](COC)(C(=O)OC(C)(C)C)C2)CN(C(=O)OC(C)(C)C)C1 1169073633 ATUYIAKAGRAUKZ-HSZRJFAPSA-N 454.564 2.385 30 10 JEEE N#Cc1cccc([C@@H]2CN(S(=O)(=O)c3cc(Br)cc(C(N)=O)c3)CCO2)c1 1188837711 IBLDALGOCUZLRU-KRWDZBQOSA-N 450.314 2.182 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC1(O)CC(OCC)C1 1286289969 NPPIOQSHSSGEEW-PKGUJWKASA-N 464.570 2.453 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(N(C)C)CCOCC1 1286294724 FPFHGSCJMBANAW-RBUKOAKNSA-N 476.622 2.155 30 10 JEEE C#CCCCCn1c(CCc2ccc(OC)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1286333915 POPPAKGUHKSZGK-NRFANRHFSA-N 464.570 2.348 30 10 JEEE C#CCN(c1nnc(-c2ccc(F)cc2Br)n1CC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1286387381 DAUOIPJPMDQVTD-CQSZACIVSA-N 485.379 2.244 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1nc(C(F)(F)F)cs1)[C@@H]1CCS(=O)(=O)C1 1286387903 WJASHPWGGOPZIO-CQSZACIVSA-N 482.513 2.490 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC1CCS(=O)(=O)CC1 1286458761 BLSRXNQLBSMANE-UHFFFAOYSA-N 468.583 2.246 30 10 JEEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1CC(C)(C)c1ccc2c(c1)OCO2 1286469035 PHTVPIOMSWGDOF-UHFFFAOYSA-N 453.543 2.193 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2CCS(=O)(=O)C(C)(C)C)CC1 1286489575 YBBBAJOKASMYHV-UHFFFAOYSA-N 457.600 2.124 30 10 JEEE C#CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(C(=O)C(C)C)CC1 1286507707 BXNQCYRSRZRJMA-HXUWFJFHSA-N 455.584 2.462 30 10 JEEE C=C(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1286602134 ZEYGNZLFBJQPJP-UHFFFAOYSA-N 451.575 2.295 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@H](c2cnn(C)c2)C1 1286780431 SZEYGBQQJZAJEB-AWEZNQCLSA-N 473.379 2.076 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1286796737 NJXVIFGDRWXGLL-SFHVURJKSA-N 452.559 2.184 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1286816313 GYXIVGXMMVRRSB-UNMCSNQZSA-N 473.643 2.401 30 10 JEEE Cc1nn(C)c(N2CCN(c3nnc(-c4ccc[nH]4)n3CC[S@](=O)C(C)(C)C)CC2)c1C#N 1290576609 GQVPGGHXMGDXNZ-XIFFEERXSA-N 469.619 2.061 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)C(=O)CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 1291749158 PDRNFVMBJBJSCG-UHFFFAOYSA-N 454.335 2.350 30 10 JEEE CN(C)C(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)CN2CCCC2)CC1 1298012985 BNEYUTRMDNOUCV-UHFFFAOYSA-N 478.645 2.149 30 10 JEEE CNC(=O)[C@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[S@@](=O)C(C)(C)C)C1 1299031956 CNAYMKCKGCFJQM-PVAZPRTOSA-N 472.615 2.238 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCCN1CCC[C@H]1CO 1300309316 SMIJPHHIBQKELH-UNMCSNQZSA-N 466.634 2.147 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H]1C[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1300479329 LUXLQUOWRDMAEP-CMKODMSKSA-N 455.584 2.430 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1CCN1CCCC[C@H]1CC)[C@H]1CCS(=O)(=O)C1 1300487938 NOAXUQKJYNBJOT-UXHICEINSA-N 458.632 2.175 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2Cl)n1CCNC(=O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1300489301 LTJQXHTXYINWJY-MRXNPFEDSA-N 496.420 2.405 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCOC)[C@@H]1CCS(=O)(=O)C1 1300496962 WTNXPFLZECIYIH-RTBURBONSA-N 495.646 2.056 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1Cc1ccnc(OCC(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 1300502017 PDUOPBNQFXCXRN-QGZVFWFLSA-N 483.516 2.242 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2CCCS2)CC1 1300718519 QZKFBPONDFOPAL-LJQANCHMSA-N 487.651 2.210 30 10 JEEE C=CCCCn1c(-c2noc3c2COCC3)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1301217046 XNOXPFLZURPSDG-KRWDZBQOSA-N 457.579 2.009 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCOC1 1301342199 ZPNBQSVHQBQQKF-YLJYHZDGSA-N 458.588 2.379 30 10 JEEE COCC[C@](C)(O)Cn1c([C@H]2CCOC2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1301448229 FZPNSBDYSKJJOO-DHLKQENFSA-N 468.602 2.153 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCN(C(=O)NCC)CC1 1301482789 BXHRMKNUTHRYLY-UHFFFAOYSA-N 494.369 2.000 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N(C)C[C@H]1CCOC1 1301493448 ZBPOHJYEXCTRKY-CQSZACIVSA-N 464.364 2.491 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCCN2CCC(C)CC2)C1 1301557176 NDBLTBFFXWTXQG-SFTDATJTSA-N 465.664 2.474 30 10 JEEE C#CCN1CCC(NC(=O)c2ccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)cc2)CC1 1303789698 FZBJCNUIBJNTAC-UHFFFAOYSA-N 455.536 2.086 30 10 JEEE Cc1noc(C)c1CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1304875189 AZTKLQHDADRXIR-UHFFFAOYSA-N 476.585 2.311 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCC(=O)NC(C)C 1305783117 HYKOYNIRJHVDNH-UHFFFAOYSA-N 480.617 2.309 30 10 JEEE CCS(=O)(=O)N(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1314541159 HLUPPDGZFSLYTB-QGZVFWFLSA-N 486.520 2.256 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H](c1ccsc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1358962152 LEZNEYAZOAWZKF-HOJAQTOUSA-N 477.656 2.163 30 10 JEEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1C[C@H](C)COC)[C@@H]1CCS(=O)(=O)C1 1358965988 GDPKWWHOPKKHJU-AZUAARDMSA-N 460.600 2.383 30 10 JEEE C#CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1359052626 KZOYNCIODAOSME-UHFFFAOYSA-N 482.654 2.455 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OCC)c(OC)c1 1359064004 IYOBLOGKPJKDTP-KSFYIVLOSA-N 461.588 2.336 30 10 JEEE C=C(Br)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1359079015 VYMUPJFHDMMAEZ-CQSZACIVSA-N 456.322 2.385 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(NS(C)(=O)=O)CC1 1359094252 YVNBVROYRLXXGN-YLJYHZDGSA-N 490.586 2.353 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1359104331 AHKGKVMGVBOURJ-RLLQIKCJSA-N 467.636 2.409 30 10 JEEE C=C(C)Cn1c(COc2ccccc2OCC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1359124611 SSDCWXIQQXFDSI-QGZVFWFLSA-N 454.531 2.305 30 10 JEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1359202798 BUKOHASPXHPSNQ-ROUUACIJSA-N 498.650 2.071 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(NC(=O)Nc2ccccc2)CC1 1359306509 IUWQFUICOGSWKK-AVRDEDQJSA-N 497.600 2.095 30 10 JEEE CC(=O)N[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCN(C(C)C)CC2)C1 1359423076 BIVHDAUWVPOYHZ-QFIPXVFZSA-N 495.628 2.069 30 10 JEEE C=CCC[C@@H](NC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)OCC 1468125689 OHHQLEWAKVFXMV-QZTJIDSGSA-N 453.517 2.152 30 10 JEEE Cc1cccnc1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1492604727 CKPBZITXHDKAAQ-UHFFFAOYSA-N 465.583 2.429 30 10 JEEE COc1ncccc1Cn1c(C(=O)NC(C)C)nnc1N1CCCN(c2ccccc2C#N)CC1 1504457506 HFQPKNNDHAIMOQ-UHFFFAOYSA-N 474.569 2.457 30 10 JEEE C#CCN(c1nnc(-c2ccc(OCCC(C)C)cc2)n1Cc1cnnn1C)[C@@H]1CCS(=O)(=O)C1 1507628198 HBTIXANTECZKTG-HXUWFJFHSA-N 497.625 2.174 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1C[C@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1507658505 CHCVYTORPXBKPZ-YFNVTMOMSA-N 499.612 2.099 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(Cl)c(OC)c2)CC1 1507737691 DLUUJUAJXXDJEX-UHFFFAOYSA-N 465.945 2.411 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC2CC2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1507804753 HTQNGVPRZQESPC-ZJOUEHCJSA-N 451.637 2.320 30 10 JEEE C=C(Cl)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(c2cccnn2)CC1 1507857530 VVUSVKMVCXOYLY-UHFFFAOYSA-N 489.005 2.065 30 10 JEEE C=CC1CCN(c2nnc(Cc3ccsc3)n2CCNS(=O)(=O)Cc2ccon2)CC1 1507905196 RZHXPZKSAJJYKQ-UHFFFAOYSA-N 462.601 2.440 30 10 JEEE C=CCCOCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCOC[C@H]1C 1507964303 ALOPKDRNLICODB-QZTJIDSGSA-N 451.568 2.404 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCCC[C@@H](SCC)C1 1508131903 RZEUAYXNNPLXNJ-QGZVFWFLSA-N 455.650 2.227 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N(C)[C@@H]1C[C@H](OCC)C1(C)C 1508141341 VJAKLHNYTLPVLS-MSOLQXFVSA-N 479.603 2.246 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 1508142595 UEVGWJQICKELQE-KRWDZBQOSA-N 491.570 2.339 30 10 JEEE Cc1nc(N2CCOCC2)sc1-c1nnc(N(C)C[C@H](C)C#N)n1C[C@H](C1CC1)N(C)C 1510424307 AGODQQTVVZAZQK-CRAIPNDOSA-N 458.636 2.483 30 10 JEEE CS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1519527940 GRXJCAAJTMBIDQ-UHFFFAOYSA-N 456.616 2.249 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCn1ccc2ccccc21 1539326694 YDAYYEIHPSJWOT-HSZRJFAPSA-N 494.621 2.119 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CC2(N(C)C)CCCCC2)CC1 1539482829 XKFULRQIPOMYDQ-OAQYLSRUSA-N 456.635 2.402 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CCCN(C)C(=O)OC(C)(C)C)CC1 1539484145 DQPZSQNKFWZZDP-UHFFFAOYSA-N 495.628 2.487 30 10 JEEE C#CCSCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCNC(=O)[C@H]1CC 1539513535 KNMITCDGHJKLSS-QZTJIDSGSA-N 476.647 2.474 30 10 JEEE C=C(Br)Cn1c(COc2ccccc2OC)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1539608193 WAJSNXQLPLCHPG-CABCVRRESA-N 462.348 2.489 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CCO)CCc1ccccc1 1539633225 XHGIXMDLZUWRMR-FSSWDIPSSA-N 474.627 2.203 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccccc2OCC)nnc1N1CCS(=O)(=O)CC1 1539642969 SUXBMZFYJNRYSK-AVRDEDQJSA-N 476.599 2.472 30 10 JEEE C=C(C)COCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCN(C(=O)OC)CC1 1539758704 RQJCEXLQXXTOBD-UHFFFAOYSA-N 497.644 2.124 30 10 JEEE C=C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1539830158 PBKOQYMRPXQHIM-KRWDZBQOSA-N 471.949 2.006 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1540863692 BUJUIXPCLWBMJG-QGZVFWFLSA-N 496.431 2.413 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1540899345 KVFSKQSROKOTTN-NZSAHSFTSA-N 461.544 2.315 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCC[C@H](NC(=O)CC)C1 1540903339 BTUWCMNVTXXXGP-KRWDZBQOSA-N 451.618 2.026 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1540903870 JDVODQOFEPRDMB-IBGZPJMESA-N 480.034 2.428 30 10 JEEE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3cccc(C#N)c3)n2CCN2CCOCC2(C)C)C1 1540937708 FNFOLPJNMXYZOH-OAQYLSRUSA-N 465.602 2.232 30 10 JEEE Cn1cc(CCCn2c(COc3ccc(C#N)cc3)nnc2N2CCCC[C@H](S(C)(=O)=O)C2)cn1 1554336580 GEQYHKJPKXAYDF-QFIPXVFZSA-N 497.625 2.499 30 10 JEEE COC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1554570703 GNTKJTMYEIQSRY-QGZVFWFLSA-N 451.575 2.031 30 10 JEEE CO[C@H](Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@](F)(C#N)C1)C(C)C 1554635326 DSFSWHANSRUTEA-WIYYLYMNSA-N 464.567 2.308 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1ccc(OCC)cc1)[C@H]1CCS(=O)(=O)C1 1588064145 BOJHQKJFLFXEOZ-NRFANRHFSA-N 465.579 2.338 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cc(Cl)ccc2OC(F)F)CC1 1588806051 FIQPAUBBWIIXAY-INIZCTEOSA-N 464.904 2.288 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(Cl)cc2F)CC1 1588923757 LGGIJNZVEOGIJK-SFHVURJKSA-N 458.925 2.036 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2cccs2)CC1 1589403676 BBVAPKHAAIWQKO-OAHLLOKOSA-N 486.461 2.473 30 10 JEEE C#CCNS(=O)(=O)c1cccc(C(=O)NCC2(N(C)Cc3ccccc3)CCOCC2)c1 1595056909 VPXCOPKBXJJKPD-UHFFFAOYSA-N 455.580 2.009 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1595523535 XOOVDQIJCANEBJ-SJORKVTESA-N 455.563 2.382 30 10 JEEE Cc1ccc(S(=O)(=O)NCCn2c([C@@H]3CCOC3)nnc2N2CCC[C@@](C)(C#N)C2)s1 1612156334 GBKRQQKDKUUBNG-UZLBHIALSA-N 464.617 2.261 30 10 JEEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC1(CCOC)CCC1 1616922472 APBAEDONVOVDKJ-GOSISDBHSA-N 454.579 2.398 30 10 JEEE CN(Cc1cccc(C#N)c1)c1nnc(C(=O)Nc2ccccn2)n1CCS(=O)(=O)CC1CC1 1617902428 FPQFZDOHXHMQNA-UHFFFAOYSA-N 479.566 2.258 30 10 JEEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2C[C@H](O)[C@@H](CO)C2)c1 1637678138 IGNLWZOAGVEBHJ-QRWLVFNGSA-N 450.944 2.147 30 10 JEEE C#CCNS(=O)(=O)c1ccc(C(=O)N(CC#C)C2CCN(C(=O)OC(C)(C)C)CC2)cc1 1649383338 QEHALTAXZCZBFE-UHFFFAOYSA-N 459.568 2.073 30 10 JEEE CN(C)S(=O)(=O)c1ccc(CNS(=O)(=O)c2ccc(Br)c(C#N)c2)cc1 1666443022 DTXSLHNRDVKNNF-UHFFFAOYSA-N 458.359 2.050 30 10 JEEE Cn1cc([C@@H]2CN(S(=O)(=O)c3c(F)cc(C#N)cc3F)C[C@H]2NC(=O)OC(C)(C)C)cn1 1669903179 HOLOTIUMLTUQMQ-WMLDXEAASA-N 467.498 2.251 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccccc1F)[C@H]1CCS(=O)(=O)C1 1689982318 KRKZTBPWRQINTG-CVDCTZTESA-N 476.574 2.133 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1CC1(COC)CCC1)[C@@H]1CCS(=O)(=O)C1 1689984411 OUVNPPYROHUAQZ-GOSISDBHSA-N 488.610 2.406 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCc1ccc(Cl)s1)[C@H]1CCS(=O)(=O)C1 1689988603 SKVAHLHMBAMUPV-HNNXBMFYSA-N 465.004 2.263 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@]1(N(C)C)CCSC1 1689999904 LTBIXFFFEHXWNI-QHCPKHFHSA-N 471.030 2.372 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(SC)CCN(C)CC1 1690072594 MZIQOEYLUSLPLA-UHFFFAOYSA-N 465.627 2.479 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@](C)(O)C1CCCCC1 1690098210 ZPBWJHITYCBELX-DEOSSOPVSA-N 464.574 2.338 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2CC(=O)NCCc2ccccc2)CC1 1690150401 GKEVCNGXGOAEHH-UHFFFAOYSA-N 476.625 2.336 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@](C)(O)c1ccccc1Cl 1690190091 KWQOQBBQSRCUOZ-LPTQZCDUSA-N 466.007 2.442 30 10 JEEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)NCC)CC1 1690230958 WMIQJPJHAVCVNJ-UHFFFAOYSA-N 454.398 2.394 30 10 JEEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC2(CCCC2)C1 1690312833 DIAYMMQZFDSRDG-LJQANCHMSA-N 467.636 2.364 30 10 JEEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1690321957 PRSYGPYPIIOUKE-QTDGGUCWSA-N 450.580 2.369 30 10 JEEE C=CCSCCn1c(N2C[C@H](C)[C@@H](N3CCOCC3)C2)nnc1[C@@]1(OCC)CCOC1 1690750575 NAJQNXBQDOZWGD-CNNODRBYSA-N 451.637 2.006 30 10 JEEE CO[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1)C(C)(C)C 1697190849 CVSKEQMBMVKLDW-NHCUHLMSSA-N 470.574 2.131 30 10 JEEE COCCN(CCC#N)c1nnc(CN2CCCC2=O)n1C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1698062399 AMGLNKXSVOPIRT-IBGZPJMESA-N 489.621 2.414 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCc1cn[nH]c1)[C@@H]1CCS(=O)(=O)C1 1705561488 ULTATPSSFHQKBR-QFBILLFUSA-N 472.546 2.150 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1cc(F)ccc1SC)[C@@H]1CCS(=O)(=O)C1 1705566795 QCHDPDXDSKOUPH-CRAIPNDOSA-N 464.588 2.318 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2CCOC)CC1 1705646314 VULUSCGZYPKWCM-UHFFFAOYSA-N 476.375 2.328 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1oc(CCC)nc1C 1705716755 UTBURMKTESRKPZ-GOSISDBHSA-N 466.608 2.311 30 10 JEEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2C)CC1 1705730998 QJONRCZRAJZYMG-IBGZPJMESA-N 462.620 2.116 30 10 JEEE C=CCCOCCn1c(-c2cc(Br)cn2C)nnc1N1CC(=O)N(C)C[C@H]1C 1705826694 GMOMRCMLQFWJTD-CQSZACIVSA-N 451.369 2.306 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H]3CCCOC3)nnc2N2CCN(CC(=O)NCC)CC2)cc1 1705911249 CMIPFHYEMPOCPM-OAQYLSRUSA-N 468.602 2.043 30 10 JEEE CC[C@H](C)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1)OC 1708364722 DENNZOSKHVFHFE-GHTZIAJQSA-N 453.591 2.088 30 10 JEEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nccc(C(F)F)n2)C1 1710345343 DMOOZHZVCQNYPS-MRXNPFEDSA-N 488.524 2.111 30 10 JEEE CO[C@@H]1COCC[C@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@](F)(C#N)C1 1712090576 BTGRKSSSYKIMCV-AQOAWAETSA-N 476.940 2.355 30 10 JEEE COCC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2C[C@H](C)O[C@H](C)C2)CC1 1712108128 DYPUYTMANZTUNW-BGYRXZFFSA-N 495.628 2.047 30 10 JEEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccccc1S(=O)(=O)N(C)C 1722298598 FZMWPXAWETVPFL-INIZCTEOSA-N 486.623 2.026 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCO[C@@H](C)C2)c1 1722307132 YYGOVDSUIPLNPT-AZUAARDMSA-N 464.570 2.385 30 10 JEEE C#CCN(C)c1nnc(COc2ccc(C#N)cc2)n1CC1(N2CCOCC2)CC(OCC)C1 1722356280 VDUMRGSGGKUBIA-UHFFFAOYSA-N 464.570 2.068 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1CCCCN(C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1722359763 AUALOZKPLPITNX-NRFANRHFSA-N 479.610 2.278 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1cc(C)cc(OC)c1)[C@H]1CCS(=O)(=O)C1 1722361030 KSWKZTJWFJGFBJ-IBGZPJMESA-N 451.552 2.332 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2C[C@@H]2CC(F)(F)CO2)CC1 1722449817 PVUIASPVBUYRRF-FQEVSTJZSA-N 457.525 2.453 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1722495153 PZEHTRDJAJUYMK-WDSOQIARSA-N 477.512 2.479 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cn2nc(C)cc2C)n1CC1(C(N)=O)CCOCC1 1722656481 WERYUBPNACXUCR-UHFFFAOYSA-N 488.596 2.486 30 10 JEEE C=CCN(CC=C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(N2CCOCC2)n1 1722666949 KSRGRGVSJOUAFF-UHFFFAOYSA-N 460.542 2.384 30 10 JEEE C=CCSCCn1c(-c2cccn2C)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1722735512 MKCAPJUYIXUZQV-UHFFFAOYSA-N 470.603 2.260 30 10 JEEE CCCC(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCS(=O)(=O)C2)C1 1727892368 DJBJVFLWZVITMR-VQTJNVASSA-N 484.626 2.384 30 10 JEEE CCOC1CC(O)(Cn2c(C3CCN(c4ncccn4)CC3)nnc2N(C)[C@@H](C)CC#N)C1 1728938122 GQAWNNDWMOFMQL-OYMFQORVSA-N 454.579 2.120 30 10 JEEE Cn1ncc(CCCn2c(-c3cccc(Br)c3)nnc2N2CCO[C@@H](C#N)C2)n1 1729603349 GTZLLISQKIZEKU-KRWDZBQOSA-N 457.336 2.198 30 10 JEEE N#C[C@@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCOc2cccc(Cl)c2)C1 1731180819 DTKHCFIRIGRYFF-LIRRHRJNSA-N 453.927 2.355 30 10 JEEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CCc1cccc(F)c1F)[C@@H]1CCS(=O)(=O)C1 1740618175 DDUWAKSGXGUYKI-WZONZLPQSA-N 494.564 2.078 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1[C@@H]1C[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1740618554 IZFYTFSZJLCBDJ-DJIMGWMZSA-N 460.556 2.179 30 10 JEEE C#CCSCCn1c(-c2ccc(Br)cc2)nnc1N(C)CC(=O)N1CCOCC1 1740712050 VNDYTVOYVCDKEA-UHFFFAOYSA-N 478.416 2.369 30 10 JEEE C=C(C)COCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@H](C(=O)OC)C1 1740791945 DCCVHJVUPRATSR-KRWDZBQOSA-N 466.542 2.174 30 10 JEEE C=CCCOCCn1c(-c2ccccn2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1740883155 KUKLVCNBPMPSFA-SFHVURJKSA-N 450.547 2.330 30 10 JEEE C=CCCOCCn1c(-c2ccc(C)o2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1740883985 LQUDVUOOAIFSMV-GHTZIAJQSA-N 456.591 2.428 30 10 JEEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCCN(C(C)=O)C1 1740900152 NBONNKPXWYOECU-MOPGFXCFSA-N 462.595 2.467 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1740988087 SMFMBQAXOPLCRB-CVEARBPZSA-N 484.481 2.261 30 10 JEEE COc1cc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCS(=O)(=O)N(C)C)ccc1OC(C)C 1748520536 CTEHTZGPSWLMDR-OAQYLSRUSA-N 480.566 2.074 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H]1CC(=O)N(CCOC)C1 1748668354 JKPNXTGFANCAIW-RBUKOAKNSA-N 488.633 2.345 30 10 JEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1cccnc1OCC 1748776388 HRFTZVLNSVBCAG-UHFFFAOYSA-N 454.556 2.107 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2cccc(C)c2C)n1CC1(O)CC1)[C@H]1CCS(=O)(=O)C1 1748806033 YZMGVDJNWRUPPB-OALUTQOASA-N 458.584 2.187 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1CCCn1cc(Br)cn1)[C@H]1CCS(=O)(=O)C1 1748817220 GRJWADCDSAEULT-KRWDZBQOSA-N 483.436 2.153 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1ccccc1OCC)[C@@H]1CCS(=O)(=O)C1 1748818933 HRPNDDKPDSZHBO-OAQYLSRUSA-N 465.579 2.338 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1CCCN1CCCO[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1748820016 XHQHRKGBCZEKSM-UPVQGACJSA-N 499.681 2.305 30 10 JEEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H](C(C)C)N1CCOCC1 1748927069 ZTYVUPBDALGIJA-QFIPXVFZSA-N 466.634 2.268 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccccc2C)n1 1748971263 JWRUOGOUHUVAJE-OAQYLSRUSA-N 482.610 2.020 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccccc3Br)n2CCN(C)CCCOC)CC1 1748983802 DVYBHMVQJGSCQN-UHFFFAOYSA-N 475.435 2.431 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OC)n2CCN2CCC[C@H]2C)CC1 1749018852 GXIWXWVCBOHMIY-HXUWFJFHSA-N 480.613 2.316 30 10 JEEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1749039908 FLGTZHSVNPBBQD-TZIWHRDSSA-N 455.628 2.401 30 10 JEEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1749083500 HSSPOFLSNGFWET-UHFFFAOYSA-N 466.384 2.252 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCCC[C@@H](S(C)(=O)=O)C2)nnc1[C@]1(OCC)CCOC1 1749141231 XOJNGLBSKWSFES-UGTOYMOASA-N 482.647 2.315 30 10 JEEE C=C(C)COCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(CC(=O)NC)CC1 1749222452 IWXSBVYBADORAR-UHFFFAOYSA-N 479.585 2.137 30 10 JEEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ncccc2F)CC1 1749450804 UGVMBDLBUVGCGH-UHFFFAOYSA-N 466.521 2.379 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1749650522 AGVGMFLJEGLLLR-SJORKVTESA-N 474.009 2.083 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CCN(C(=O)OCC)CC1 1749653255 ZLTDWOTYJGDWOW-UHFFFAOYSA-N 477.363 2.288 30 10 JEEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](c2nc(C)c(C)s2)C1 1749677633 GIIHRMCLRNOWSQ-QGZVFWFLSA-N 457.604 2.160 30 10 JEEE CSc1cccc(F)c1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CC#N 1750274627 FCCHXHCUWOVVFG-PBHICJAKSA-N 482.607 2.259 30 10 JEEE C[C@@H](CC(N)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCCN1CCN(c2ccncc2)CC1 1751099482 CGDHKSNYOHASNF-FQEVSTJZSA-N 487.612 2.124 30 10 JEEE C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1CCN(C)C(=O)OC(C)(C)C 1751981875 HKHGKUJNFFGVPC-MRXNPFEDSA-N 453.547 2.351 30 10 JEEE C#CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(C(=O)OCC)CC1 1760134955 DFJGQYAFOLXTPW-UHFFFAOYSA-N 473.603 2.320 30 10 JEEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)Cc2cccc(OC)c2)CC1 1760135781 IZVVRBNLUYUDHM-UHFFFAOYSA-N 461.570 2.382 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H](C)Oc1ccccc1)[C@H]1CCS(=O)(=O)C1 1760183386 BCUZAYNIEYAVDM-MOPGFXCFSA-N 453.568 2.378 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CC1(OC)CCCCC1)[C@H]1CCS(=O)(=O)C1 1760186119 ANPCAOBEPFAQNJ-OALUTQOASA-N 450.605 2.148 30 10 JEEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1(N(C)C)CCOCC1 1760232708 CKBPDIHHYLIEGJ-UHFFFAOYSA-N 452.607 2.022 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1nccc(C(F)F)n1 1760239910 AJLPXDBABAXLIB-AWEZNQCLSA-N 493.515 2.443 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@]2(O)CCC[C@@H]2C)CC1 1760267702 WUWZUJHOOKQCOV-QYBDOPJKSA-N 481.597 2.479 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2CC2CCN(CCN(C)C)CC2)CC1 1760270226 UXBUDBHOICLRBB-UHFFFAOYSA-N 469.678 2.175 30 10 JEEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)CCc2ccc(OC)cc2)CC1 1760282001 UFWUWKLWSCOWBT-NRFANRHFSA-N 483.638 2.438 30 10 JEEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1760301704 HRGRUGWCIAYPDX-CABCVRRESA-N 484.399 2.485 30 10 JEEE C=C(Br)Cn1c(Cn2ccc3ccccc32)nnc1N1CCN(CCOC)C(=O)C1 1760310406 DIASAVRSAAGRLD-UHFFFAOYSA-N 473.375 2.485 30 10 JEEE C=CCNC(=O)Cn1c(N2CCN(c3ccc(C)c(C)c3)CC2)nnc1[C@]1(OCC)CCOC1 1760528363 AMSDCWVYERSMEQ-VWLOTQADSA-N 468.602 2.176 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC(F)(F)F)C1 1760549910 OPELROVEADIEJM-QGZVFWFLSA-N 464.448 2.189 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)Cc1ncc(Cl)n1C 1760552846 CJFQNODSSKQBRT-UHFFFAOYSA-N 492.989 2.340 30 10 JEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H]1COc2ccccc2O1 1760566676 ZUIFAELMWMNNAR-DLBZAZTESA-N 464.613 2.376 30 10 JEEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCO[C@@H](C)C2)C1 1765671251 CIMFRZUYQXZVSQ-ILZDJORESA-N 458.588 2.150 30 10 JEEE CN(C)c1cccnc1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(S(C)(=O)=O)CC1 1766913902 DSEAXHGNLHRHLX-UHFFFAOYSA-N 495.609 2.251 30 10 JEEE CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCCS(=O)(=O)c1ccccc1 1767934184 BUURWABDHSFHDS-UHFFFAOYSA-N 495.609 2.272 30 10 JEEE C#CCOC(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2ccccc2Br)cc1 1859009256 GVSIXRARYDDPBQ-UHFFFAOYSA-N 465.325 2.470 30 10 JEEE COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CCNC(C)=O)cc(OC)c1OC 1862635300 HAMCZOYVJUYUAM-NRFANRHFSA-N 498.488 2.156 30 10 JEEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(O)c(O)c2)c1 1862700067 AEAZXZLNZMNEEB-QFIPXVFZSA-N 468.506 2.407 30 10 JEEE CCN(CC)CCNC(=O)c1ccc(-n2nnc(C#N)c2NC(=O)c2ccccc2[N+](=O)[O-])cc1 1870158921 WIVBUOYEBBVUAW-UHFFFAOYSA-N 476.497 2.371 30 10 JEEE C=CCOc1cn(CCN(C)C)c(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1=O 1870387218 VGIFNVSHWWAWSZ-UHFFFAOYSA-N 454.571 2.021 30 10 JEEE NC(=O)CSc1nnc(CCCOc2ccccc2)n1/N=C/c1ccc(O)c([N+](=O)[O-])c1 1874317448 UAWKDWATDJSANQ-WSDLNYQXSA-N 456.484 2.363 30 10 JEEE CC(C)(C)OC(=O)N[C@H](C(=O)N1CCC[C@H](B2OC(C)(C)C(C)(C)O2)C1)C1CS(=O)(=O)C1 1890786493 WKRNXASCHGQLGO-HOTGVXAUSA-N 472.413 2.009 30 10 JEEE C=CCC1(C(=O)N2C[C@@H](O)CC23CN(C(=O)OC(C)(C)C)C3)CN(C(=O)OC(C)(C)C)C1 2066538041 ANUBTBPSKUXAMR-INIZCTEOSA-N 451.564 2.382 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](O)CN(C(=O)c2csc(B3OC(C)(C)C(C)(C)O3)c2)C1 2255705960 BWBSBEBIEKTARX-HUUCEWRRSA-N 452.382 2.147 30 10 JEEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)[C@H]2C[C@H]21 2255947895 FQIFEGZBPRHTRP-CABCVRRESA-N 470.422 2.430 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](O)C[C@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2256628695 LMBURYIVVXIRGT-STQMWFEESA-N 453.370 2.141 30 10 JEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CCNC(=O)C2(B3OC(C)(C)C(C)(C)O3)CC2)C1 2267500225 FNYBKLLCFYXDTG-HNNXBMFYSA-N 472.413 2.153 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N 2267526126 NDUZFEIZHLKKHW-CQSZACIVSA-N 462.381 2.336 30 10 JEEE CO[C@@H]1C[C@H](CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)N(C(=O)OC(C)(C)C)C1 2267555679 QRQFGIBWGZAPRP-HUUCEWRRSA-N 450.341 2.333 30 10 JEEE C[C@@H](OCc1ccccc1)[C@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(=O)O 2269037322 QGDXZWVISIAYIW-KDOFPFPSSA-N 481.401 2.384 30 10 JEEE Cn1nc(C(=O)NCc2ccc(NC(=O)OC(C)(C)C)nc2)cc1B1OC(C)(C)C(C)(C)O1 2281971667 XEHVLJVLFLDEOY-UHFFFAOYSA-N 457.340 2.391 30 10 JEEE C[C@@H]1C[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)CCN(C(=O)OC(C)(C)C)C1 2281979014 AYHRITDNFYGPEU-CVEARBPZSA-N 462.400 2.485 30 10 JEEE Cc1nn(C)c(C(=O)N[C@@H]2C[C@@H](F)CN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2281985705 LLFIKAFGKFWHRK-HUUCEWRRSA-N 466.363 2.105 30 10 JEEE Cc1c(C(=O)NCC2CCN(C(=O)OC(C)(C)C)CC2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281987600 ATRQMYZHXCSPKY-UHFFFAOYSA-N 462.400 2.405 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@H](CNC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2Cl)C1 2281991490 ATWPHIZLQXDWHS-HNNXBMFYSA-N 481.786 2.400 30 10 JEEE CC(C)(C)OC(=O)NC[C@]12CN(C(=O)c3occc3B3OC(C)(C)C(C)(C)O3)C[C@H]1CCO2 2282049456 ZLNGNDOCRXBOIF-CMJOXMDJSA-N 462.352 2.335 30 10 JEEE CN(C[C@H]1COCCN1C(=O)OC(C)(C)C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn1C 2282176107 PTULHIQNUKJMGF-KRWDZBQOSA-N 463.384 2.032 30 10 JEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H]1CC(C)(C)[C@H]1OCc1ccccc1 2282335487 QCUZFBZPMWOTSJ-XLIONFOSSA-N 475.420 2.382 30 10 JEEE Cn1cc(C(=O)N[C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)nc1B1OC(C)(C)C(C)(C)O1 2282546055 UJCNBITUSDLXQP-SLFFLAALSA-N 450.392 2.360 30 10 JEEE CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCc1ccccc1B1OC(C)(C)C(C)(C)O1 2283961138 BMMVQQXHQBSTHP-IBGZPJMESA-N 461.412 2.099 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H](CO)C(=O)N1CCCc2c(B3OC(C)(C)C(C)(C)O3)cccc21 2284060618 PNHXKNTZAHOCAB-INIZCTEOSA-N 460.380 2.398 30 10 JEEE CC(C)(C)OC(=O)N1CCC(Nc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)(C(N)=O)CC1 2284380632 JQVDZLHZRSDKGX-UHFFFAOYSA-N 464.347 2.187 30 10 JEEE CC(C)(C)OC(=O)N(CC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1)C1CCOCC1 2288167267 GZOKXBKOLOLVJT-UHFFFAOYSA-N 462.356 2.130 30 10 JEEE CC(C)(C)OC(=O)NCC(C)(C)OCCNC(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1 2295771659 RBYQFZVDOLDJIO-UHFFFAOYSA-N 463.384 2.431 30 10 JEEE COc1ccc(N2C[C@@H](c3nnc(SCCO)n3N=Cc3cccc(O)c3)CC2=O)cc1 2325882455 WOEVVZZNWCPBQP-INIZCTEOSA-N 453.524 2.479 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2359273631 LMACJXRWOHZRTH-DOPJRALCSA-N 482.383 2.411 30 10 JEEE CCc1nc(C(=O)NCCOC2CN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2362399851 FYARPTCOUJDPOV-UHFFFAOYSA-N 481.424 2.370 30 10 JEEE C[C@H]1CN(C(=O)c2nn(C)c(=O)c3ccccc23)/C(=N\c2cccc(S(=O)(=O)N(C)C)c2)S1 9950581 ZPVBOQVWMXOVFN-FAFWDCIRSA-N 485.591 2.449 30 10 JEEE CCOC(=O)[C@H]1C(c2ccc(C#N)cc2)[C@H](C(=O)OCC)[C@@](O)(C(F)(F)F)N[C@@]1(O)C(F)(F)F 13467588 XJBOQDHLLNCDHU-MPHVTYKXSA-N 498.376 2.105 30 10 JEEE C#CCN1CCC[C@@H]1COC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 729810111 UKVXOECQIPPOCW-AEFFLSMTSA-N 455.374 2.243 30 10 JEEE C=CCn1nc(C)c(C=NNc2nnc(SCC(=O)Nc3ccccc3OC)n2N)c1C 1084281804 KAJTUNPRUNHKOT-UHFFFAOYSA-N 455.548 2.177 30 10 JEEE CC(C)(C)OC(=O)N1CCC2(CC1)CO[C@@H](CNC(=O)CNC(=O)c1ccc(C#N)cc1)C2 1153981914 DVEVBFPDWYEUNW-LJQANCHMSA-N 456.543 2.210 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CC(F)(F)CO1 1286297944 ZEIXTBVVHQQWII-XHSDSOJGSA-N 455.506 2.469 30 10 JEEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1CC1(C(C)C)CC1)[C@H]1CCS(=O)(=O)C1 1286395212 LRRKUOOVSJIGCC-KRWDZBQOSA-N 475.640 2.333 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](CC=C)c1ccccc1 1286429968 DXKBJEQMHKVBSE-XZOQPEGZSA-N 481.622 2.434 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2C[C@@H](C)CN2CCN(CC)CC2)CC1 1286489059 DMKXIVBEFVFCMK-NRFANRHFSA-N 495.647 2.324 30 10 JEEE C#CCSCCn1c(-c2ccc(CC)cc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1286499551 SMKOMBXHRIJWBU-UHFFFAOYSA-N 480.638 2.145 30 10 JEEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CC[C@@H](CN2CCOCC2)C1 1286506674 ZIFYSJWRMNIINT-FQEVSTJZSA-N 455.628 2.402 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)C1 1286810153 NXEIDFQHUMRHOD-OKZBNKHCSA-N 483.635 2.217 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2CN(CC(C)C)CCO2)C1 1286811176 AILKVMQHAKZONZ-VXKWHMMOSA-N 457.623 2.278 30 10 JEEE C#CCN1CCCN(C(=O)c2cc(S(=O)(=O)NC(C)(C)C)ccc2Br)CC1 1293712260 BDXCMPPMTPJQML-UHFFFAOYSA-N 456.406 2.307 30 10 JEEE C#CCCCn1c(COc2ccc(F)cc2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1300422100 FDHRWWXSAIHQJA-FQEVSTJZSA-N 454.506 2.176 30 10 JEEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1CC[S@](=O)CC)[C@H]1CCS(=O)(=O)C1 1300481672 AZBPSOQLSUNKEB-FHFCDEBKSA-N 462.641 2.215 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCc2ccccc2OCC)CC1 1300683095 WJSGPKDOGFWUDK-UHFFFAOYSA-N 459.554 2.322 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccccc3Br)n2C[C@@H](C)N2CCOCC2)CC1 1300692261 BDWWWCRANOKABC-GOSISDBHSA-N 473.419 2.184 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CCC(=O)N2CCCCCC2)CC1 1300726146 IAYWKDDGBXUIRU-UHFFFAOYSA-N 477.613 2.022 30 10 JEEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1CCc2ccccc21 1300762646 KZMKIIBERBEISY-PMACEKPBSA-N 475.640 2.101 30 10 JEEE C=C(Br)Cn1c(CC2CC2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1300853173 LAMOFQXWQTUTEJ-RDTXWAMCSA-N 451.413 2.128 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1300897385 QHEPLZCHWJZAAM-FGSXEWAUSA-N 493.605 2.495 30 10 JEEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1300975074 QXKCDRUPMGQANY-OAQYLSRUSA-N 489.642 2.242 30 10 JEEE C=C(Cn1c(N2CCN(S(C)(=O)=O)[C@@H](C)C2)nnc1[C@@]1(OCC)CCOC1)c1ccccc1 1301009946 GHIFVJFPEALLMH-WMZHIEFXSA-N 475.615 2.114 30 10 JEEE C=CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1301196862 KXBJUTNJAKLIJP-GOSISDBHSA-N 457.966 2.384 30 10 JEEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(N(C)C)CCOCC2)C[C@H](C)O1 1301372636 GJJJDDQMIIHMDV-RXVVDRJESA-N 454.575 2.168 30 10 JEEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)Cc1ccc(OC)cc1 1301500348 LEWQCHCRVKYLRU-UHFFFAOYSA-N 476.585 2.399 30 10 JEEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1301502849 QLACVRLISAZNRO-PBPSECFOSA-N 461.513 2.222 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@](C)(C(N)=O)C1 1301529666 KZCODLNEARTWDH-DEOSSOPVSA-N 461.526 2.240 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)c1ccc(F)cc1 1301588701 ILFIIGKUHWJLRE-DOTOQJQBSA-N 470.592 2.118 30 10 JEEE CCCN(CC)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1306802157 GWJYVISDLUSSGS-HSZRJFAPSA-N 478.645 2.291 30 10 JEEE COC1CCN(C(C)(C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@H](C(N)=O)C2)CC1 1315703462 CJXUPHWQBYOANJ-IBGZPJMESA-N 451.575 2.018 30 10 JEEE CSC[C@@H]1CCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCS(=O)(=O)C1 1316440737 CFHKFDRHRJYZEV-ROUUACIJSA-N 461.613 2.495 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC[C@H]1COCCO1 1358885452 KINFRXFOWFRJSX-MSOLQXFVSA-N 450.543 2.499 30 10 JEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(=O)c2cc(C)oc2C)CC1 1358904552 GSWQLASSFJHWLF-QGZVFWFLSA-N 490.630 2.300 30 10 JEEE C#CCCCn1c(CN2CCCC2=O)nnc1N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 1358933553 XDHNECJSBSFWGC-WMZHIEFXSA-N 452.607 2.067 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2cccc(Cn3ccnc3)c2)CC1 1359028134 IDVMFRHMMCBEOO-UHFFFAOYSA-N 474.613 2.245 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2CCC(=O)N2CCCCC2)CC1 1359037026 RSMWFXGGTMPKFI-UHFFFAOYSA-N 450.587 2.035 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2CCCO[C@H]2CCOC2)CC1 1359045264 BBRREZAOIABNSP-IBGZPJMESA-N 487.551 2.309 30 10 JEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](CN2CCC(C)CC2)C1 1359049913 YSCWHOBEKJOKTE-PMACEKPBSA-N 482.720 2.203 30 10 JEEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1359077438 CHVVVJYJGQHCOI-QZTJIDSGSA-N 499.454 2.044 30 10 JEEE C=C(C)Cn1c(N2CCN(CC(=O)N3C[C@H](C)C[C@@H](C)C3)CC2)nnc1[C@]1(OCC)CCOC1 1359125203 SRLHRAIGJBWBBJ-OTPAQWSUSA-N 474.650 2.133 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCSCC(F)(F)F)CC1 1359179373 TWGMMQSLONOMOK-OAHLLOKOSA-N 483.582 2.309 30 10 JEEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1359183815 VHHLKVIMAAVUTN-FHWLQOOXSA-N 468.668 2.038 30 10 JEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1359203873 XQMLCIKIOMJLFE-FQEVSTJZSA-N 496.678 2.051 30 10 JEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(Cc2cccc(C)c2)CC1 1359304220 QMUPSAYTZISPPD-UHFFFAOYSA-N 462.602 2.073 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1359330417 QVVSAACXXAFQAJ-RDJZCZTQSA-N 464.592 2.223 30 10 JEEE C[C@@H](CN(C)C(=O)OC(C)(C)C)Cn1c(Cc2ccncc2)nnc1N1CCO[C@@H](C#N)C1 1360514997 DBMCORHTLDWNPZ-HKUYNNGSSA-N 455.563 2.496 30 10 JEEE C=CC[C@]1(C(=O)NCc2ccc(OC)c(S(N)(=O)=O)c2)CCCN1C(=O)OC(C)(C)C 1450707437 MEWDJQNHNDLMBX-OAQYLSRUSA-N 453.561 2.305 30 10 JEEE C#CC[C@@]1(C(=O)NC[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)CCCN1C(=O)OC(C)(C)C 1456348313 VJVYDIMUBNFQQK-PKTZIBPZSA-N 451.564 2.268 30 10 JEEE C#CCN1CCC[C@@H](NC(=O)NCc2ccccc2CN2C(=O)NC3(CCCCC3)C2=O)C1 1477836790 DPYBFBIXLOJQEH-OAQYLSRUSA-N 451.571 2.338 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1C[C@@H]1COCCO1 1497005953 BZPOFPUIZMMNKR-HSZRJFAPSA-N 495.628 2.196 30 10 JEEE CCN(CCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2CCC[C@H]21)S(C)(=O)=O 1502183876 GECPCJQFYLXTDZ-UYAOXDASSA-N 458.588 2.389 30 10 JEEE CO[C@@]1(Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CC[C@](F)(C#N)C2)CCOC1 1504046386 DWWPBQFVJFRLDO-LEWJYISDSA-N 462.913 2.109 30 10 JEEE CS[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1505174300 CUCALQRFAGFNMI-INIZCTEOSA-N 466.571 2.067 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCNC(=O)c1cc[nH]n1 1507533681 SHZPXRMCSBAXBX-MRXNPFEDSA-N 470.578 2.004 30 10 JEEE C#CCN(c1nnc(-c2ccccc2)n1CC1CN(C(=O)OC(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1507627569 DUISIXMCSOXALD-HXUWFJFHSA-N 485.610 2.439 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCN(C)CCCC)CC1 1507739658 SUKCIODDGTVYFK-HSZRJFAPSA-N 480.613 2.488 30 10 JEEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N(C)CCN1CCN(c2ccccc2)CC1 1508090965 QOQXVJKLKVUDGT-UHFFFAOYSA-N 451.619 2.496 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCNC(=O)[C@H]1CC 1508092630 DIHNMNYHXNIOAC-OAHLLOKOSA-N 467.357 2.181 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)C(C)C)CC1 1508105698 SVAXDZFCABWFLO-FQEVSTJZSA-N 487.626 2.098 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H]2CCCO2)nnc1N1CCC(NC(=O)COC)CC1 1508107714 FQQQMVYMLVBLPQ-OAQYLSRUSA-N 455.559 2.474 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(Cc2cnc(C)s2)CC1 1508137902 SNEIUGLOAVUUHS-UHFFFAOYSA-N 473.628 2.028 30 10 JEEE C=CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C(N)=O)CC1 1508159847 AZTHZENZAIDZNA-KRWDZBQOSA-N 480.635 2.207 30 10 JEEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC[C@H]1C 1512331000 DLBSSKXKVNYBRX-QWFCFKBJSA-N 472.615 2.493 30 10 JEEE COC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1)OC 1518729455 AAWGLXWMZKASBW-NQIIRXRSSA-N 471.558 2.164 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H]2CCCO2)c1 1539039750 HBJIZMONRRKRQE-GBXCKJPGSA-N 453.543 2.165 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCc1ccc(Br)cc1)[C@H]1CCS(=O)(=O)C1 1539220273 HUUAFVHFPCOKNQ-MJGOQNOKSA-N 493.427 2.414 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@H]2CCOC[C@H]2OC)CC1 1539463219 XOTZSYBJXHTDPV-PCCBWWKXSA-N 488.633 2.157 30 10 JEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCc2cc(OC)c(OC)cc2C1 1539488663 DAEXWVXEHNHMKR-UHFFFAOYSA-N 455.584 2.460 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1c(C)nn(C)c1C 1540127538 RRTGCCPVVFHZNF-KRWDZBQOSA-N 457.604 2.480 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCN(c2nccc(OCC)n2)CC1 1540868171 UTCAYQRCWAHDEU-UHFFFAOYSA-N 482.976 2.416 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@H]2CCN(C(C)=O)C2)cc1 1540877754 DXVUORYQEBADII-NHCUHLMSSA-N 487.626 2.098 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 1540898528 MYLWVMVMMPINJW-BEFAXECRSA-N 461.544 2.458 30 10 JEEE CC(=O)Nc1ccc(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCO[C@@H](C#N)C2)cn1 1541016899 GAHXIDAJSZAOCK-NLWGTHIKSA-N 453.547 2.327 30 10 JEEE CNC(=O)[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@H]1C1CCN(S(C)(=O)=O)CC1 1548397438 SIXLDDAHBUUIQG-DLBZAZTESA-N 458.506 2.047 30 10 JEEE C[C@@H]1C[C@@H]2[C@H]([C@H](O)C[C@]3(C)[C@H]2CC[C@@]3(O)C(=O)COC(=O)CCC(=O)O)[C@]2(C)C=CC(=O)C=C12 1565504199 IMBXEJJVJRTNOW-YZITUXPISA-N 474.550 2.219 30 10 JEEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCOC[C@@H]2c2noc(-c3ccccc3)n2)cc1 1567471625 YLUDNGPMWMSSFZ-LJQANCHMSA-N 454.508 2.415 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@H]1CCCS(=O)(=O)C1 1587620799 KNIYKYGUUXCEQO-ZWKOTPCHSA-N 482.610 2.348 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@H](C)c1nccs1)[C@@H]1CCS(=O)(=O)C1 1588029633 JTBHBBQXEPTOHV-DOTOQJQBSA-N 478.644 2.083 30 10 JEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(=O)N(C)C1CCCCC1 1588125058 ZRGBNQOEPDXUIK-UHFFFAOYSA-N 481.626 2.102 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC[C@H]2CCO[C@H](C)C2)CC1 1588885678 YIIYRVUTCCIWRX-MOPGFXCFSA-N 479.585 2.096 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1CCNC(=O)c1ccco1 1589242763 IVBBYEKIDBYBKY-JOCHJYFZSA-N 452.540 2.285 30 10 JEEE C=C(Br)Cn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@H](NC(C)=O)C1 1589383338 SNOFNGYYAIDAQD-CYBMUJFWSA-N 451.325 2.019 30 10 JEEE C=C(C)COCCn1c(-c2cc(Br)cn2C)nnc1N1CCN(CCOC)CC1 1593704240 RTIWOLJPWQHSMC-UHFFFAOYSA-N 467.412 2.407 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CCSC1 1595161550 DNNDNABRSSQNAP-BEFAXECRSA-N 454.643 2.302 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H]1CCOC1 1595162189 YTSOZCGOXJYFKF-MJGOQNOKSA-N 481.644 2.292 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1595476606 LYARHDJMNNIUIZ-MJGOQNOKSA-N 470.549 2.451 30 10 JEEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1C[C@@H](C)CC[C@@H]1C 1595490635 VIZIRADWWNGCKS-HOTGVXAUSA-N 459.620 2.474 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N(C)CC(C)(C)CN1CCOCC1 1595506855 OFPBPRACCBFFFG-UHFFFAOYSA-N 461.998 2.090 30 10 JEEE C=CCOc1ccc(Cn2c(-c3cnn(C)c3)nnc2N2CCN(CCOC)[C@H](C)C2)cc1 1595613826 IQTROLRJLBIIFV-LJQANCHMSA-N 451.575 2.449 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(Cc3csc(C)n3)n2Cc2cccc(S(=O)(=O)NC)c2)C1 1595737714 HAIQKILUYZQKAA-IBGZPJMESA-N 488.639 2.372 30 10 JEEE CCCC(=O)NC[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2(C(N)=O)CCOCC2)C1 1614317728 AYLKIGJOXMGBQV-FQEVSTJZSA-N 493.612 2.232 30 10 JEEE C[C@H](CC(=O)N1CCC(O)(Cc2ccccc2F)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1634349127 IBFDIAFYPVGPFI-MRXNPFEDSA-N 459.543 2.239 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@H](c3ncc(C(=O)OC)s3)C2)s1 1639730654 OXGXAMJZGLHXNO-LBPRGKRZSA-N 455.583 2.014 30 10 JEEE CCC(=O)NCc1cc(S(=O)(=O)N2CCCN(c3ccccc3C#N)CC2)ccc1OC 1660027878 FEILIMQGSPLLGW-UHFFFAOYSA-N 456.568 2.494 30 10 JEEE C#CCCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1689893333 XPQGSGJFFYFBAU-XLIONFOSSA-N 459.572 2.112 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCNC(=O)c1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 1689984066 KQEVHHOZVYAQOH-HXUWFJFHSA-N 481.578 2.212 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@]1(N(C)C)CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1689985956 FWRMPCBUAIGRAT-IZIIKQMZSA-N 470.643 2.477 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1Cc1cccnc1OCCOC)[C@H]1CCS(=O)(=O)C1 1689986640 UKMAUISINWSWDU-NRFANRHFSA-N 495.605 2.349 30 10 JEEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1690052243 DNZNIRWTYSCBKC-OAQYLSRUSA-N 461.545 2.086 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2csc(N3CCOCC3)n2)n1CCC(=O)NCCC 1690203058 OZRMOFFQNMKUBS-JOCHJYFZSA-N 457.604 2.147 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@@H](CC(N)=O)C1 1690663080 LNAUVMBZGNOMFY-AWEZNQCLSA-N 461.364 2.102 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1690675942 KMCVJPIDMKZLHH-GOSISDBHSA-N 472.977 2.404 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H](N2CCOCC2)C(F)(F)F)C1 1690714762 UHIRZFKUAMUCID-OKYOBFRVSA-N 489.539 2.047 30 10 JEEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C)(c2nc(C)no2)CC1 1690734168 XOHWTIAQRRMNBT-CQSZACIVSA-N 469.637 2.057 30 10 JEEE Cc1ccccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1693248644 HSLNBQJETTXAHG-FUHWJXTLSA-N 450.465 2.245 30 10 JEEE C[C@@H]1OCC[C@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1693870622 FIPUDWQLLVTJHJ-UXSWERMXSA-N 468.558 2.460 30 10 JEEE C#CCCCCn1c(-c2cc(Br)cn2C)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1705511094 IGXPDVBRBFTRBY-UHFFFAOYSA-N 485.390 2.436 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCOc1ccc(F)c(F)c1)[C@H]1CCS(=O)(=O)C1 1705564171 AUMUPCNJZJLGIY-IRXDYDNUSA-N 480.537 2.156 30 10 JEEE C#CCN(c1nnc(CC)n1C[C@@H]1CCN(CCc2ccccc2)C1)[C@H]1CCS(=O)(=O)C1 1705569592 FAZPSZVIQPVZSX-YADHBBJMSA-N 455.628 2.032 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1705590250 GMLMPLPIWIVPLY-AJTFRIOCSA-N 492.624 2.450 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@H](C)N1CCOCC1 1705626881 MHRCZSNVRCHQLM-FQEVSTJZSA-N 493.612 2.043 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)N1CCC[C@H](C)C1 1705667088 NAOCDTXSVAKTKJ-NPPFBWRTSA-N 450.653 2.391 30 10 JEEE C=CCC(C)(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(=O)COC)CC1 1705789136 ZPRWXNPGUHQSIW-UHFFFAOYSA-N 475.615 2.246 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCO[C@H]2C(C)C)C1 1705925488 PWJUQONGMUAUHL-WTGUMLROSA-N 452.621 2.413 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1705934570 PWTYXPLGHUGDDN-UHFFFAOYSA-N 463.526 2.041 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCCC 1705935975 HIJVIAPAHMYYNN-QGZVFWFLSA-N 471.624 2.424 30 10 JEEE C=CCSCCn1c(Cc2ccccn2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1705947363 JAVXQYHWCXQAKN-KNQAVFIVSA-N 469.659 2.172 30 10 JEEE CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCn2ccnc2C)CC1 1708632714 BQQYZBPHKDWQER-LJQANCHMSA-N 475.601 2.059 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@H]1CC[C@H](CO)O1 1722291723 GMHMWJYXSGAJAT-FGTMMUONSA-N 450.543 2.234 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(C)(C)C(=O)NCC 1722295724 LICSHWRTQWZLPP-DLBZAZTESA-N 462.595 2.207 30 10 JEEE C#CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@H](OCC=C)C1 1722458039 VVLJZFQWMKLQLR-KRWDZBQOSA-N 460.629 2.386 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1722481896 CFSGFUKVMFWPKG-IAGOWNOFSA-N 469.428 2.117 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(CC(=O)NCC)CC1 1722495903 IKVNVNZHHDHYHK-NTKDMRAZSA-N 498.628 2.202 30 10 JEEE C=CC[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](S(C)(=O)=O)C1)c1ccccc1 1722595053 SQGCNXZZLLPNCY-VQTJNVASSA-N 457.600 2.497 30 10 JEEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 1722620572 SIFHTOLLEDRYAZ-SFTDATJTSA-N 471.650 2.184 30 10 JEEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1(N(C)C)CCOCC1 1722633272 RNBTYFKZSNNHLF-UHFFFAOYSA-N 461.636 2.280 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1722691845 UUTFNAZYNLMQPQ-WMZOPIPTSA-N 458.538 2.212 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1722696394 LLOYDERCLUPFGX-UHFFFAOYSA-N 455.538 2.114 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(F)(F)CNC(=O)OC(C)(C)C)C1 1722714404 MTMZHZXWMLCJIF-CABCVRRESA-N 470.521 2.171 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[C@H](CNC(C)=O)C1 1722727901 PGXQZFWBUASDOM-HXUWFJFHSA-N 497.625 2.084 30 10 JEEE CCC(CC)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1)N(C)C 1727157741 ACTGYCBADFOMQJ-JOCHJYFZSA-N 467.618 2.478 30 10 JEEE CCc1nc(CCn2c(-c3cccc(C#N)c3)nnc2N(CC)[C@H]2CCS(=O)(=O)C2)no1 1727457661 BIOYGGJTVQNEMR-KRWDZBQOSA-N 455.544 2.018 30 10 JEEE COCCN(CCC#N)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCc1n[nH]c(C)n1 1730762196 BCMIGMHENKGRHB-GOSISDBHSA-N 487.609 2.428 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H](C(C)C)N1CCOCC1 1740540309 VHYPRRUNFMMRCK-UGKGYDQZSA-N 488.658 2.010 30 10 JEEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@H]1CC(F)(F)CO1)[C@H]1CCS(=O)(=O)C1 1740619962 BAJOTXOALQHJSV-LSDHHAIUSA-N 454.474 2.135 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccccc2F)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1740635035 IBHAMXMPYGWZCR-WIYYLYMNSA-N 455.559 2.361 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CC[C@@H]2CCOC2)CC1 1740703318 NRCHRNNKIDMERB-GOSISDBHSA-N 497.596 2.363 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCCCN2CCCC[C@@H]2C)CC1 1740704210 JZEKIUPMLGDBDW-FQEVSTJZSA-N 466.634 2.299 30 10 JEEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1740720420 YIWKYNIYZBIFIZ-UHFFFAOYSA-N 470.647 2.234 30 10 JEEE C#CCSCCn1c(COc2ccccc2OCC)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1740723227 PSTVKLFLQWXXRD-HSZRJFAPSA-N 455.584 2.339 30 10 JEEE C#CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1740723325 QRKQHGZVRAYCIK-JOCHJYFZSA-N 457.556 2.263 30 10 JEEE C=C(Br)Cn1c(-c2cccnc2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1740742189 GEYHTYFYFGARMO-OAHLLOKOSA-N 469.409 2.357 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)NCCCOC(C)C)CC1 1740743557 ZBEDYHXFRUATDL-KRWDZBQOSA-N 497.438 2.286 30 10 JEEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(N2CCCC2=O)CC1 1740950568 XYRAZKFPACIEGE-GOSISDBHSA-N 460.579 2.364 30 10 JEEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)Cc2ccccc2C)CC1 1740960950 HEDXDVPAFSLPJL-UHFFFAOYSA-N 452.603 2.369 30 10 JEEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1740962677 LLOOQQIHFNMWLH-UHFFFAOYSA-N 479.673 2.360 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@@H](Oc2ccccn2)C1 1740963908 APCQBZKBOQEPES-LJQANCHMSA-N 452.490 2.351 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC(=C)CC1 1740986702 FHNBCWXPRKTZSM-UHFFFAOYSA-N 478.644 2.304 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CC[C@@H](C)N(Cc2ccccc2)CC1 1740990108 IUEJSDKITRSLMP-HXUWFJFHSA-N 483.642 2.380 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ccc(F)cc2)CC1 1740992438 QBCBTHKAKKREPO-GOSISDBHSA-N 463.579 2.239 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 1740994226 KUPFSEWRPSFNGV-UHFFFAOYSA-N 499.662 2.423 30 10 JEEE Cc1nn(C)c(N2CCN(c3nnc(Cc4cccnc4)n3CCCN(C)C(C)C)CC2)c1C#N 1742668833 FZZRGJXPXXUQJB-UHFFFAOYSA-N 476.633 2.234 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@H]1CCN(CCC)C1)[C@H]1CCS(=O)(=O)C1 1748808296 JKXRMNNXMGHUJF-FPOVZHCZSA-N 471.627 2.312 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H](CC(C)C)NC(=O)OCC)[C@H]1CCS(=O)(=O)C1 1748814355 DQRPQOUEONHYHE-AABGKKOBSA-N 495.646 2.307 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1CC1CCN(CCC(C)C)CC1)[C@H]1CCS(=O)(=O)C1 1748817670 NXGXDGQYDZPBMW-VXKWHMMOSA-N 477.675 2.167 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1CCc1ccncc1)[C@@H]1CCS(=O)(=O)C1 1748819989 WJXXUHIPOUUKDJ-HXUWFJFHSA-N 453.543 2.272 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCN1CCC(C)CC1 1748842301 KEALYAYPQZYINV-UHFFFAOYSA-N 457.582 2.387 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2CCCC(=O)N(CC)CC)CC1 1748977909 DXNBEOKWKPCBFK-UHFFFAOYSA-N 490.450 2.450 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](C)COCc2ccccc2)CC1 1749008906 CSSNMXNSHRZUNV-DENIHFKCSA-N 478.597 2.048 30 10 JEEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1749039372 STQDZYLZKBAMFV-SFTDATJTSA-N 474.675 2.062 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1749364299 PDUQEEIGSFRCMN-KRWDZBQOSA-N 452.625 2.082 30 10 JEEE C=CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCCN(S(C)(=O)=O)CC1)c1ccccc1 1749383302 VAABSDNOEHXQQH-HXUWFJFHSA-N 474.631 2.248 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(C)COCCO1 1749552838 BNQOEIZVIXANHC-UZLBHIALSA-N 452.602 2.240 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](CCc2ccccc2)C1 1749651038 MJLOABUZVLSLPQ-HXUWFJFHSA-N 475.553 2.066 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1749654999 ADPOXKGLERYUKQ-QGZVFWFLSA-N 486.573 2.368 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1749666670 PKOHUTYASMIOIV-SFHVURJKSA-N 484.582 2.306 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 1749668737 DNHVCSBRSIIRIS-CVEARBPZSA-N 460.604 2.416 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1749681086 WQLATEZJZGBGQX-KRWDZBQOSA-N 460.510 2.013 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC[C@@H]1c1ccc(COC)o1 1749730887 UNXNAQNLMOOPLP-GOSISDBHSA-N 458.544 2.417 30 10 JEEE Cc1ccc(NC(=O)c2nnc(N3CCO[C@H](C#N)C3)n2CCCN2CCCCC2=O)cc1C 1751544338 HMNTVZSUQNIBNQ-HXUWFJFHSA-N 465.558 2.279 30 10 JEEE Cc1nccnc1CCn1c(-c2cccc(C#N)c2)nnc1N(CCS(C)(=O)=O)C1CC1 1751813154 GLCROBFFOPMSHR-UHFFFAOYSA-N 451.556 2.171 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H](C(C)C)N1CCOCC1 1760213320 YFUVPDGVXLYXQA-QHCPKHFHSA-N 483.638 2.168 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1(NC(=O)OC(C)(C)C)COC1 1760214713 ZHGCPLRLDJXOPZ-UHFFFAOYSA-N 493.564 2.473 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@]1(C)COCCO1 1760216107 AHWFUKRQPWQXPQ-SANMLTNESA-N 474.565 2.333 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2CC(=O)NC2CCCCC2)CC1 1760254997 SIIITHCCZJLKPG-UHFFFAOYSA-N 488.434 2.250 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(=O)NCc1ccco1 1760289229 KUFJCVVENAIGGD-XMMPIXPASA-N 496.593 2.097 30 10 JEEE C=CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1760423448 ZWSZSYUREMKJFW-SFHVURJKSA-N 458.588 2.261 30 10 JEEE C=CCCOCCn1c(Cc2ccncc2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1760451979 ACMVPFAAEGUKSG-ZJSXRUAMSA-N 481.645 2.236 30 10 JEEE C=CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(CO)CC1 1760560696 CCJYXLCNFMJYCY-UHFFFAOYSA-N 465.645 2.323 30 10 JEEE C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCO[C@@H](C#N)C2)n1CC1CCS(=O)(=O)CC1 1761522240 FYNDWLMSKLWHGT-KXBFYZLASA-N 463.535 2.111 30 10 JEEE CC[C@H](C)NC(=O)CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCO[C@H](C#N)C1 1762031499 DZJOUTOYXNZLPA-DOTOQJQBSA-N 472.546 2.004 30 10 JEEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1CC1(N2CCCC2)CCOCC1 1767571231 DFMXQPXMVOPLAC-LJQANCHMSA-N 465.602 2.280 30 10 JEEE COC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1769530545 GIXFBUAMVIFBRL-IBGZPJMESA-N 490.630 2.262 30 10 JEEE CO[C@]1(Cn2c(COc3ccc(Br)cc3)nnc2N2CCO[C@@H](C#N)C2)CCOC1 1769780564 AYNZHORUSRXGSA-PXNSSMCTSA-N 478.347 2.154 30 10 JEEE C=CCOc1ccccc1[C@H]1C(C(=O)N2CCC[C@@H](CO)C2)=C(N)Oc2c1c(CC)nn2C 1865225902 RHXSPEHOBMOPEE-OXQOHEQNSA-N 452.555 2.473 30 10 JEEE CCOCCCNC(=O)[C@@H](Cc1c[nH]c2ccccc12)N=C1NS(=O)(=O)c2ccccc21 1869931782 HRIAVZJFUSOVMR-HXUWFJFHSA-N 454.552 2.361 30 10 JEEE CCOC(=O)c1ccc(N2C[C@@H](C(=O)Nc3c(C#N)nnn3Cc3ccccc3)CC2=O)cc1 1870109381 SHWCNFRJBDYVMR-SFHVURJKSA-N 458.478 2.366 30 10 JEEE CCN(CC)CCNC(=O)c1ccc(-n2nnc(C#N)c2NC(=O)COc2ccccc2OC)cc1 1870155929 NLRLQSZBSGGQKK-UHFFFAOYSA-N 491.552 2.237 30 10 JEEE C=CCn1cc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c(=O)cc1CN(CCO)CCO 1870741476 PJIOHXBYPRDMBG-UHFFFAOYSA-N 470.353 2.145 30 10 JEEE COC(=O)CSc1nnc([C@H]2CC(=O)N(c3ccc(OC)cc3)C2)n1/N=C/c1cccnc1 1874201209 VEIWBFBJPKCOMF-SOAGAIGUSA-N 466.523 2.350 30 10 JEEE C=CCOc1ccccc1/C=N/n1c(SCC(N)=O)nnc1[C@H]1CC(=O)N(C(C)(C)C)C1 1874274344 QQUWPDCKJFUCIE-SOAGAIGUSA-N 456.572 2.417 30 10 JEEE COc1ccccc1CCc1nnc(SCC(N)=O)n1/N=C/c1ccc(O)c([N+](=O)[O-])c1 1874313252 LIVPKFYATQRJNR-SSDVNMTOSA-N 456.484 2.145 30 10 JEEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)c3cnn4ccc(C(F)(F)F)nc34)CC2)CC1 1889502146 RUJIVOBOPMYFKP-UHFFFAOYSA-N 492.546 2.399 30 10 JEEE C=CCNC(=O)c1nc(C(=O)N2CCC(Oc3ccc(-n4nc(C)cc4C)nn3)CC2)cs1 1890875038 PHCDKKHLOOOIKJ-UHFFFAOYSA-N 467.555 2.335 30 10 JEEE C[C@H](NC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)C1(O)CN(C(=O)OC(C)(C)C)C1 2060137984 FNRNGQBFSHMUJB-HOTGVXAUSA-N 454.568 2.450 30 10 JEEE CC(C)(C)OC(=O)N1CC(O)(CN(Cc2ccccc2)S(=O)(=O)CC2(C#N)CCOCC2)C1 2118163326 PNBWPNHFHDJYSN-UHFFFAOYSA-N 479.599 2.121 30 10 JEEE CC(C)(C)OC(=O)NC[C@H](O)CCC(=O)NCCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2180969047 CFJHEVAQJJCFKE-LJQANCHMSA-N 462.396 2.310 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCN(CC(=O)NCc2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2180981114 QEJCMBXYWCAGAG-IBGZPJMESA-N 459.396 2.201 30 10 JEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)N1CCC=C(B2OC(C)(C)C(C)(C)O2)C1 2189206728 FLDFZUJYSOOENY-QGZVFWFLSA-N 484.424 2.201 30 10 JEEE C[C@@H](CNC(=O)OC(C)(C)C)CNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2247902889 CLELSDDOSQELOC-ZDUSSCGKSA-N 460.427 2.486 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2255833568 FIKKJSHSXLPIFZ-LSDHHAIUSA-N 452.382 2.147 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]1CNS(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2255951034 YFDTYDBASVNCGV-PBHICJAKSA-N 452.382 2.177 30 10 JEEE Cc1nc(C(=O)NC[C@@H]2CCCN(C(=O)C(F)(F)F)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2267167764 LDEFBAFGZCOSOS-LBPRGKRZSA-N 461.315 2.281 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)CO1 2267289743 UIVSSISRFZPLPW-LSDHHAIUSA-N 450.341 2.238 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H]1NS(=O)(=O)Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2267465632 PRGHVPZYFYTGOU-FUHWJXTLSA-N 466.409 2.318 30 10 JEEE CN(CCCCCNC(=O)OC(C)(C)C)C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2267506279 VLOKYJIAXDPZNJ-UHFFFAOYSA-N 450.389 2.486 30 10 JEEE Cn1ncc(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)c1NC(=O)OC(C)(C)C 2267531844 WGCMQXBJEWYDDK-UHFFFAOYSA-N 463.369 2.453 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1CNS(=O)(=O)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2267709494 CSZYOKYVXUXGLE-SJLPKXTDSA-N 466.409 2.318 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCOC[C@H]1NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2267729821 QGHDABLQZMPZDD-LSDHHAIUSA-N 488.437 2.008 30 10 JEEE CC(C)(C)OC(=O)NC1CC(O)(C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)c(F)c2)C1 2268704719 AIRKKUSXIAZKQV-UHFFFAOYSA-N 450.316 2.482 30 10 JEEE CN(Cc1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(=O)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 2268722223 XEVPGSNIUNBCTC-QFIPXVFZSA-N 466.409 2.378 30 10 JEEE Cc1nc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2CO)c(B2OC(C)(C)C(C)(C)O2)s1 2282016857 COZNXKLRSXXWSV-GJZGRUSLSA-N 481.424 2.098 30 10 JEEE CC(C)(C)OC(=O)N1CC2(CC2)C[C@H]1CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2282026414 YYBNWXPUZPZYPB-INIZCTEOSA-N 458.368 2.295 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC[C@@H]1CNC(=O)OC(C)(C)C 2282488814 DSZMEAGCRQVUHD-MRXNPFEDSA-N 482.408 2.282 30 10 JEEE CCn1cc(C(=O)N2C[C@@H]3CCN(C(=O)OC(C)(C)C)[C@@H]3C2)nc1B1OC(C)(C)C(C)(C)O1 2282530516 VRCRXZXEKUDLCA-DOTOQJQBSA-N 460.384 2.284 30 10 JEEE CN(C[C@@H]1CCCN(C(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C1)C(=O)OC(C)(C)C 2282551072 ATIDQRCMKKOAJY-INIZCTEOSA-N 462.400 2.438 30 10 JEEE CN(C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1)[C@H]1CCC[C@H]1CNC(=O)OC(C)(C)C 2282557538 WLKBVQHJRITQLR-RDJZCZTQSA-N 462.400 2.485 30 10 JEEE C[C@@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1)C1(O)CCN(C(=O)OC(C)(C)C)CC1 2282596061 CGGXAAGGEOABGJ-CQSZACIVSA-N 481.424 2.323 30 10 JEEE CS[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282832552 APDXFMXOAQOULL-IAGOWNOFSA-N 499.464 2.010 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2O)C1 2282984499 RYENNXLNKJERAL-INIZCTEOSA-N 462.352 2.057 30 10 JEEE COc1ccc([C@@H]2C(=C(O)c3ccco3)C(=O)C(=O)N2CCCN2CCOCC2)cc1OC 2297747532 GJVXJSZCMNBESJ-OAQYLSRUSA-N 456.495 2.441 30 10 JEEE COC(=O)CSc1nnc([C@@H]2CC(=O)N(Cc3ccccc3)C2)n1N=Cc1ccc(O)cc1O 2325921384 SHKYCWVYOXYBAA-QGZVFWFLSA-N 481.534 2.353 30 10 JEEE CC(=O)NCc1nnc(SCC(=O)Nc2nccs2)n1N=Cc1c[nH]c2ccccc12 2330749836 ONUNQTZFCPTIDO-UHFFFAOYSA-N 454.541 2.465 30 10 JEEE CO[C@H]1C[C@H](CNC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)N(C(=O)OC(C)(C)C)C1 2337394178 JAAWHHIOVJFQMD-KGLIPLIRSA-N 467.397 2.197 30 10 JEEE COc1cccc(CN(/C(O)=N/S(=O)(=O)c2ccc(C)cc2)[C@@H]2CCS(=O)(=O)C2)c1 39915165 AIRRQWMTDLHNFS-QGZVFWFLSA-N 452.554 2.296 30 10 JEEE COCCn1cc(/C=N/Nc2nc(SCCC(=O)Nc3ccc([N+](=O)[O-])cc3)n[nH]2)cn1 59887218 CKPHSNWEYLKQST-VXLYETTFSA-N 459.492 2.123 30 10 JEEE COc1cccc([C@H]2/C(=C(/O)c3ccco3)C(=O)C(=O)N2CCCN2CCOCC2)c1OC 106551216 FWYWRCWFWKSGFW-LCPUNJGISA-N 456.495 2.441 30 10 JEEE C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Br)[C@@H](O)C[C@]2(C)[C@]1(O)C(=O)CO 138095109 XNZYFPXDQDPHGR-XGKZOERBSA-N 453.373 2.321 30 10 JEEE N#CC(C(=O)Nc1ccccn1)=c1sc(=Cc2ccccc2)c(=O)n1CCc1cccnc1 609038103 FEPBVEQKALNSPG-UHFFFAOYSA-N 453.527 2.084 30 10 JEEE CCCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccc(C)c(F)c1 729669825 FNBQXOZIBOPTRH-UHFFFAOYSA-N 461.522 2.024 30 10 JEEE C=CCNC(=O)[C@H](C)Sc1n[nH]c(NN=Cc2c(C)nn(-c3ccccc3)c2N2CCOCC2)n1 1084154718 CXRJNRLCDDSJBQ-KRWDZBQOSA-N 495.613 2.364 30 10 JEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1 1141411724 JXFKQQHJNLAWBC-INIZCTEOSA-N 455.602 2.324 30 10 JEEE C#CCN(C)C(=O)Nc1ccc(N2CCOCC2)c(S(=O)(=O)Nc2ccccc2OC)c1 1196532440 BVXARPHDJIUTRG-UHFFFAOYSA-N 458.540 2.430 30 10 JEEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(c2cccnn2)CC1 1286339867 ZYMRSFNZMVGFLR-UHFFFAOYSA-N 464.961 2.392 30 10 JEEE C#CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1286340247 YAHYGIOGZIZNLH-GCJKJVERSA-N 465.558 2.256 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2ccccc2F)n1CCC1(O)CCC1)[C@H]1CCS(=O)(=O)C1 1286382313 ADQLYYALDQTDLW-MSOLQXFVSA-N 476.574 2.489 30 10 JEEE C#CCN(c1nnc(CCOc2ccccc2)n1CC[S@@](=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1286391052 GACKCPGRKZGFQE-PSTIOWGYSA-N 492.667 2.074 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@](C)(O)c2ccco2)CC1 1286488301 MNJLXBFUAWSRHB-SANMLTNESA-N 493.564 2.429 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CC2=CCCOC2)CC1 1286488856 WEVCCRPBLVKSNC-UHFFFAOYSA-N 495.580 2.283 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2Cc2cccc(C(=O)NCCC)c2)CC1 1286491112 FTVCVGSNUJCWAP-UHFFFAOYSA-N 499.619 2.418 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2nc(C(F)(F)F)cs2)CC1 1286492169 DHJYXRYHNKGIGV-CQSZACIVSA-N 468.505 2.271 30 10 JEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2cc(OC)c(C)cc2C1 1286700933 STHBRYIQUOANOZ-OAQYLSRUSA-N 475.615 2.457 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNC(=O)C(C)(C)C 1286765327 BZRFLMJDYSZBQK-QGZVFWFLSA-N 463.604 2.171 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1 1286789032 NKFCFHAXOWRROA-UHFFFAOYSA-N 469.590 2.450 30 10 JEEE CC(=O)N1CCN(CCn2c([C@H](C)Oc3ccc(F)cc3)nnc2N(C)C[C@@H](C)C#N)CC1 1286888807 GKLLZLFKHHPEAU-ROUUACIJSA-N 457.554 2.317 30 10 JEEE CC(C)CN1CCO[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(CC(N)=O)CC2)C1 1287785604 GGHBORKSKXLJLS-JOCHJYFZSA-N 465.602 2.265 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CC[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 1288169056 CTFMRMRXSOQNMS-BAGYTPMASA-N 465.602 2.446 30 10 JEEE C[C@]1(C#N)CCCN(c2nnc(-c3cccnc3)n2CCc2ccc(S(N)(=O)=O)cc2)C1 1288976740 DDLNUIHEFXWWOT-JOCHJYFZSA-N 451.556 2.360 30 10 JEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(Cc3ccccc3OCC)C[C@H]2C)cc1 1296892384 MRKNHQXDWFLFCY-LJQANCHMSA-N 455.580 2.343 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(N(C)C)CCSC1 1300310505 NFXKFTIKOVBQAD-BSRJHKFKSA-N 478.663 2.482 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCN(CC)S(C)(=O)=O 1300330656 ZZQOJZDSMHKPBS-KURKYZTESA-N 482.651 2.178 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CCCS(=O)(=O)C1 1300535145 HZHCQZZIKVSDQI-WOJBJXKFSA-N 489.642 2.290 30 10 JEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@](C)(O)c1ccc(F)cc1 1300545326 OELGRJDRJISULD-QHCPKHFHSA-N 451.527 2.389 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(=O)NC(C)C 1300806021 OLIZETNONQXZBQ-HOYKHHGWSA-N 474.606 2.493 30 10 JEEE C=C(Br)Cn1c(N2CC[C@H](NC(=O)NC3CC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1300861187 BKFYAKALXLNNCU-OXJNMPFZSA-N 483.411 2.268 30 10 JEEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2cc(F)cc(C)c2C1 1300972910 ROJVPRCXVZMAPM-MRXNPFEDSA-N 451.568 2.491 30 10 JEEE C=CCC(C)(C)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1301155722 SNLKIQXNFHGUPG-UHFFFAOYSA-N 492.628 2.292 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCC(=O)N2)n1CC1(NC(=O)OC(C)(C)C)COC1 1301411211 UYRKALUSOMKWJV-SFHVURJKSA-N 486.573 2.351 30 10 JEEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2ccccc2)C1 1301612387 YEQGHEQAEAELAU-VQTJNVASSA-N 493.655 2.108 30 10 JEEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)NC(=O)OC(C)(C)C 1303638648 BMIICSDXZZPEOK-CABCVRRESA-N 454.597 2.222 30 10 JEEE CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCN(c2ccccc2C#N)CC1 1314529992 GAYMAXQTXSZONQ-UHFFFAOYSA-N 454.556 2.480 30 10 JEEE CCSc1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCO[C@@H](C(=O)NC)C2)ccn1 1314588283 GWULTIJKDFJANG-HXUWFJFHSA-N 493.593 2.235 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCCN2CC)c1 1358900546 MSZCPUZUFVAPLA-NRFANRHFSA-N 486.580 2.466 30 10 JEEE C#CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C(=O)NC)CC1 1358912910 AXFOAOXNXRAWRX-IBGZPJMESA-N 474.606 2.352 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1CC(F)(F)Br)[C@H]1CCS(=O)(=O)C1 1358964383 YHDHOCKOKDPXKD-LBPRGKRZSA-N 453.353 2.481 30 10 JEEE C#CCN(c1nnc(COCC)n1Cc1ccc(OC)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 1358967544 MTUZRGOZAQTJNU-INIZCTEOSA-N 452.964 2.152 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC2(C(=O)NCC)CCC2)CC1 1359032912 IIMYTCAUYURVGI-UHFFFAOYSA-N 466.586 2.024 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](C)c2c(C)noc2C)CC1 1359043854 LMOWGALCVNMVNW-HNNXBMFYSA-N 450.547 2.053 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1359101077 KBMXAYAMAVXIME-NFBKMPQASA-N 498.603 2.162 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[C@@H]2CCO[C@@H](C)C2)CC1 1359179472 WDWTYVXDYSNXOU-SXLOBPIMSA-N 467.636 2.219 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CCO[C@H](c2noc(C)n2)C1 1359293483 RARWRDMAMFXXNN-INIZCTEOSA-N 488.346 2.279 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 1359302508 JNYVLJCHRANJOZ-GOSISDBHSA-N 455.563 2.060 30 10 JEEE Cc1nc(C#N)c(N2CCN(C(=O)CN3C[C@H](C)N(Cc4ccccc4)[C@H](C)[C@@H]3C)CC2)o1 1460337939 AMOYGJUTQXTGNO-SLFFLAALSA-N 450.587 2.487 30 10 JEEE C#CCNC(=O)CN1CCCN(C(=O)CC[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)CC1 1464849404 QYZXTTLGMUFLFJ-OAQYLSRUSA-N 456.587 2.316 30 10 JEEE Cc1nsc(N2CCN(S(=O)(=O)[C@H]3CCCN(C(=O)c4ccccc4)C3)CC2)c1C#N 1475350099 DQXXEXRAICVIKU-SFHVURJKSA-N 459.597 2.080 30 10 JEEE CC[C@H](C)[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1494868702 BLHMVFHZSQOEOE-NXQMDHLFSA-N 466.586 2.441 30 10 JEEE CCS(=O)(=O)NCCn1c(Cn2nc(C)cc2C)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1503286073 CHAREQOSCKVRMO-UHFFFAOYSA-N 494.625 2.244 30 10 JEEE CNC(=O)[C@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CN(CC(C)C)CCO2)C1 1503724385 BNIXVKSEQNASPS-SQJMNOBHSA-N 465.602 2.136 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1507520351 YUGHEPINJCOUDQ-WVMBUTMQSA-N 457.550 2.260 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccc(C(F)(F)F)cc1C)[C@H]1CCS(=O)(=O)C1 1507623100 RBHSKDIZFPAFRC-SFHVURJKSA-N 497.543 2.419 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCn1cc(Cl)cn1)[C@H]1CCS(=O)(=O)C1 1507624791 DIXHUSNXJOSIOI-SFHVURJKSA-N 489.945 2.030 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1cc(C(CC)CC)no1)[C@H]1CCS(=O)(=O)C1 1507632618 OJGOFYXWVCECOZ-ROUUACIJSA-N 461.588 2.349 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2cccc(NC(C)=O)c2)CC1 1507720408 UPFVUDVALHADNV-VWLOTQADSA-N 466.586 2.081 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2cc3ccccc3s2)CC1 1507721237 ICRHWFQVWOKLIJ-QGZVFWFLSA-N 472.640 2.101 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2CCCO[C@H]2CCOC2)CC1 1507743100 ZGSCEMPVHCXHBZ-NRFANRHFSA-N 469.561 2.169 30 10 JEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2c(F)cc(F)cc2C1 1507745391 BHOCITBJXPAFMN-ZDUSSCGKSA-N 455.556 2.096 30 10 JEEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1507748203 LIHRJLZQVKKLIU-HXUWFJFHSA-N 477.638 2.316 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1507793921 CHCJSHRAIPEDOK-UHOSZYNNSA-N 461.544 2.458 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(S(C)(=O)=O)CCC1 1507816284 NPAQZVFNNYRYMS-UHFFFAOYSA-N 456.576 2.291 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1coc(-c2ccccc2)n1 1508019335 KWBRIAZTNUZUEQ-FQEVSTJZSA-N 484.582 2.493 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CC(=O)NCC(F)(F)F)C1 1508120054 YFPWVTIUXLIXPO-CYBMUJFWSA-N 477.447 2.054 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN2C(=O)CC[C@@H]2C1 1508135078 YAHVFZRYCQJZGP-OAHLLOKOSA-N 467.954 2.149 30 10 JEEE CC1(C)CCCN(CCn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)C1 1510312023 DLKHIASDKNMISE-OAQYLSRUSA-N 486.642 2.474 30 10 JEEE CCOC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1516084557 APMDXFJWGXMHNN-FQEVSTJZSA-N 452.559 2.459 30 10 JEEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](c2noc(C)n2)C1 1539078974 LFFQVAMFOOMUFK-INIZCTEOSA-N 455.544 2.342 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1ccc(OC(C)C)nc1)[C@H]1CCS(=O)(=O)C1 1539210055 AMQADTKPAJRUEJ-IBGZPJMESA-N 466.567 2.197 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCC[C@H]1OC)[C@@H]1CCS(=O)(=O)C1 1539212101 RGVNADCOOQTMKN-PWRODBHTSA-N 453.568 2.259 30 10 JEEE C#CCN(c1nnc(CC2CCCC2)n1CCNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1539225812 PXPWUNXFOMMVEH-SFHVURJKSA-N 465.620 2.162 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(N2CCSCC2)CCCCC1 1539368658 AOCURCZEHCSLKQ-IBGZPJMESA-N 465.689 2.391 30 10 JEEE C#CCN(CCOC)c1nnc(CNC(=O)c2cccs2)n1Cc1noc2c1CCCC2 1539420512 FZJIDRYVOUJWJE-UHFFFAOYSA-N 454.556 2.271 30 10 JEEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@H](C)[C@@H](OC)C1 1539510145 FLVNFOPMBQEGEG-LPHOPBHVSA-N 452.584 2.420 30 10 JEEE C=C(Br)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCNC(=O)CC1 1539593840 AVLLHVSINOZGNU-UHFFFAOYSA-N 486.374 2.471 30 10 JEEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 1539722884 UKSLZTZRMGNXJX-IBGZPJMESA-N 460.623 2.484 30 10 JEEE C=CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1539973676 BITXNAHMEBBPLK-QHCPKHFHSA-N 485.614 2.440 30 10 JEEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1539985621 MDKYUQISQFBVJV-IBGZPJMESA-N 459.616 2.473 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc2c(cc1OC)C[C@H](C)O2 1540201396 SLPBZIZCHZGDMD-DLBZAZTESA-N 476.599 2.199 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1540862306 YEEUMVSJWQWCCD-UHFFFAOYSA-N 486.536 2.147 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC(NC(C)=O)CC1 1540862956 MIPPUPMGDFQNAA-SFHVURJKSA-N 454.575 2.442 30 10 JEEE C[C@H](C#N)CN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1nnc2n1CCCCC2 1541106758 BGJPEMOTPLUFEI-MRXNPFEDSA-N 468.587 2.311 30 10 JEEE CCC1(CC)CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)CCS1 1546114841 ICCSODYLKHILGD-OAQYLSRUSA-N 475.640 2.478 30 10 JEEE CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1547319770 BDSPZZOWESJDCE-LJQANCHMSA-N 478.557 2.358 30 10 JEEE CCN(CC)C(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2[C@H]2C[C@@H]2C)CC1 1547416842 BRHWUXBKZVIMFM-RXVVDRJESA-N 451.575 2.300 30 10 JEEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(COc3ccc4ccccc4c3)o2)CC1 1558073055 KLPLBTHTWHHRQD-UHFFFAOYSA-N 453.520 2.237 30 10 JEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC3CCN(c4nccs4)CC3)CC2)cc1 1586119937 DNSKZSZLFAYXDB-UHFFFAOYSA-N 459.597 2.201 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1CCc1nc(C(C)(C)C)cs1)[C@H]1CCS(=O)(=O)C1 1588049186 BMSDCPXVIUQPCR-INIZCTEOSA-N 485.639 2.359 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1Cc1cc(C)on1)[C@H]1CCS(=O)(=O)C1 1588069825 TUCGIAABOKHRQW-IBGZPJMESA-N 455.540 2.137 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2CCC(=O)NCCC)CC1 1588780192 JFCVOGOKAUNEPD-UHFFFAOYSA-N 489.418 2.388 30 10 JEEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC(C)(C)C(=O)NCC)CC1 1588865314 STASHPAVUWJAQV-UHFFFAOYSA-N 452.603 2.391 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2CC2(C(=O)NCC)CCC2)CC1 1588954988 NQZAGWKGJFNGHV-UHFFFAOYSA-N 468.627 2.203 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCNC(C)=O 1589164147 RLVNFTNICKXPDD-JOCHJYFZSA-N 457.604 2.065 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1cccc(C(N)=O)c1 1589482761 KZYANZPTBCHIDA-PMACEKPBSA-N 452.559 2.231 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2noc3c2COCC3)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 1589527795 AWQSIIJIFCXXNM-FTRWYGJKSA-N 479.603 2.246 30 10 JEEE C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 1589701087 LUTNUWIWCGBRPD-UHFFFAOYSA-N 480.617 2.318 30 10 JEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2CCN(c3ccncc3)CC2)CC1 1594013098 CDKLBAKYNKEHRI-SFHVURJKSA-N 459.620 2.356 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[C@@H](C)N2CCCCC2)CC1 1594241600 VXPXJNYHTXLVNB-CTNGQTDRSA-N 480.679 2.278 30 10 JEEE C=CCC(C)(C)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1594473314 QNSOOARXONOANC-UHFFFAOYSA-N 496.612 2.063 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(C)nn1C 1595083356 BXHPWCMDSYBENU-KRWDZBQOSA-N 468.587 2.043 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@]2(OCC)CCOC2)n1C[C@]1(O)CCOC1 1595083743 FQJIDXZJDMXSIG-DNQXCXABSA-N 453.543 2.146 30 10 JEEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 1595461188 OSSWRMWYNMRGBP-KEZQHZCBSA-N 460.623 2.005 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@@H](C)c1ccc([S@](C)=O)cc1 1595466132 FHURVWCPYOZECM-RUQXJDCSSA-N 481.582 2.162 30 10 JEEE C[C@H](C#N)CN(C)c1nnc(-c2cccc(Br)c2)n1CCNC(=O)c1cc[nH]n1 1596788823 DKKQYEYYYCYPJV-CYBMUJFWSA-N 457.336 2.457 30 10 JEEE CC(C)(C)[S@@](=O)CCn1c(-c2cnccn2)nnc1N1CCN(c2ccccc2C#N)CC1 1597705698 DAGGRGPVKDMSRQ-XIFFEERXSA-N 464.599 2.481 30 10 JEEE C[C@@H](CNC(=O)OC(C)(C)C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CCC#N)CC1CC1 1611627061 BXLWIXAZKLBRAV-FUHWJXTLSA-N 480.635 2.471 30 10 JEEE CC#CC[C@H](CO)NC(=O)[C@H](CCSC)NS(=O)(=O)c1cc(Cl)ccc1Cl 1640795106 WYYIWWZZTCPWCM-HIFRSBDPSA-N 453.413 2.284 30 10 JEEE C#CCN1CCC[C@@H](NC(=O)N2C[C@@H]3CC[C@H](C2)N3C2CCN(C(=O)OC(C)(C)C)CC2)C1 1687593611 VFCJOWMUAQQIMJ-FCEUIQTBSA-N 459.635 2.342 30 10 JEEE C#CCN(c1nnc(COCC)n1Cc1ccc(OC(F)F)cc1)[C@H]1CCS(=O)(=O)C1 1689996797 ONCXJDAYPUSONY-INIZCTEOSA-N 454.499 2.091 30 10 JEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1690018147 VSJRVGIXKDGPTL-LJQANCHMSA-N 478.601 2.438 30 10 JEEE C#CCN(CC#C)c1nnc(CSc2ccc(Cl)cc2)n1CC1(O)CCS(=O)(=O)CC1 1690028419 VLYMTHIEBSLNQQ-UHFFFAOYSA-N 479.027 2.236 30 10 JEEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(OC)c(OC)c2)CC1 1690128669 HXHTTXQZCZHJQT-UHFFFAOYSA-N 452.584 2.455 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@](C)(O)c2ccco2)CC1 1690140400 XJDIVEJYFLBANY-SANMLTNESA-N 493.564 2.429 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2Cc2cccc(CN(C)C)c2)CC1 1690150768 URZNBAOBZFAVCL-UHFFFAOYSA-N 471.609 2.340 30 10 JEEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1690166138 WCUUJLJBRCXPHA-UHFFFAOYSA-N 472.578 2.004 30 10 JEEE C=C(Br)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)O[C@H](COC)C1 1690220808 BBELGRPFUYGDTH-HOCLYGCPSA-N 485.404 2.497 30 10 JEEE C=C(Br)Cn1c(N2CCN(C(=O)NC(C)(C)C)CC2)nnc1[C@]1(OCC)CCOC1 1690234338 ARCXPABGMMGLPN-FQEVSTJZSA-N 485.427 2.469 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1690251477 VSIXCORVRUPUCP-IKVWTGGYSA-N 475.615 2.491 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)O[C@H](COC)C1 1690251478 VSIXCORVRUPUCP-NYUBLWNDSA-N 475.615 2.491 30 10 JEEE C=CCCCCCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@]1(O)CCS(=O)(=O)C1 1690450078 ZKWMOVLQOFBDTH-QHCPKHFHSA-N 486.598 2.326 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc(Cn2nc(C)cc2C)n1C[C@@]1(O)CCS(=O)(=O)C1 1690571664 FOPFRNHKWUKQKR-QHCPKHFHSA-N 488.589 2.021 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)OCCOC)nnc1N1CCC2(CC1)Cc1ccccc1C2=O 1690661057 UAHQZDCHLWXERC-SFHVURJKSA-N 467.570 2.330 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1690661132 VLNMGYLLJSMHGO-IPELMVKDSA-N 471.514 2.233 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1690663263 QZOWKZIMZYENAJ-NWDGAFQWSA-N 490.449 2.329 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](c2ccccc2Br)C1 1690668854 LWPMNPMSPHKVPO-GOSISDBHSA-N 486.374 2.321 30 10 JEEE C[C@H]1CCC[C@@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CC(N)=O)CC1 1693644438 ATZPLGNCXUCZOH-BXKMTCNYSA-N 452.559 2.372 30 10 JEEE CC[C@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1694211394 CSXZJDBWNHUQQK-PXNSSMCTSA-N 451.575 2.474 30 10 JEEE Cn1nccc1C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCS(C)(=O)=O)CC1 1696886113 AZVXIKIUTQSBDR-UHFFFAOYSA-N 483.598 2.281 30 10 JEEE C#CCN(c1nnc(-c2cccc(Br)c2)n1C[C@@](C)(O)C1CC1)[C@H]1CCS(=O)(=O)C1 1705562230 ZEEQJCUPDWYHHH-GHTZIAJQSA-N 493.427 2.495 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1CCc1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 1705565571 HPCHRXZWYDKLPB-KRWDZBQOSA-N 456.959 2.258 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H]1CCCN(CC(C)C)C1)[C@H]1CCS(=O)(=O)C1 1705569938 LLCAYOYDIVKEIP-PKTZIBPZSA-N 484.670 2.259 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc4c(s3)CCCCC4)n2CC(=O)NCC(F)F)CC1 1705635726 ISHJPIMESXVSRT-UHFFFAOYSA-N 462.570 2.412 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1705651791 HTUAEGZOGUWKRQ-OAQYLSRUSA-N 496.637 2.341 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1CC1(O)CCN(C(C)C)CC1 1705667260 PLBDFMMYBPLLHX-HSZRJFAPSA-N 451.575 2.153 30 10 JEEE C=CCn1c(COc2ccccc2F)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1705893079 CWPXIRGLWMTLCN-UHFFFAOYSA-N 478.575 2.458 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(N2CCCCC2=O)CC1 1705932471 DWBHTIWSYOUGRM-UHFFFAOYSA-N 482.610 2.399 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1nc2ccccc2s1 1705936494 RRPXCXHEGWCJKN-OAHLLOKOSA-N 495.652 2.027 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCC[C@@](C)(OC)CC2)nnc1[C@]1(OC(C)C)CCOC1 1705938870 LIRQSTSPYFKFPY-YADHBBJMSA-N 470.636 2.315 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](C#N)C1 1706159028 BVPRENDURGMCCZ-IRXDYDNUSA-N 482.545 2.054 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CCOc1ncccc1F 1706626096 BUXNZMMVKXQIAS-FQEVSTJZSA-N 479.516 2.479 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1CC(C)(C)c1ccc2c(c1)OCCO2 1706848667 GUFQNVINBRLEJL-HZPDHXFCSA-N 476.603 2.376 30 10 JEEE CCCN1CCC(N(C)c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1709776185 AAKUUTDRNBRCCV-FQEVSTJZSA-N 485.658 2.409 30 10 JEEE C#CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N(C)CC(=O)N1CCOCC1 1722327076 MJMRKYPCHWOQMD-UHFFFAOYSA-N 476.375 2.425 30 10 JEEE C#CCCCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1722340176 PLOGZNPGPLLURO-OAQYLSRUSA-N 491.589 2.040 30 10 JEEE C#CCN(c1nnc(-c2ccccc2F)n1CCC(=O)N[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1722361071 FJQUFXOCHVLAHD-DLBZAZTESA-N 461.563 2.016 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1CCCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1722364394 ZLZOPEKYYYRAFD-LJQANCHMSA-N 498.609 2.184 30 10 JEEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1722451974 KQQDYKNFIPPVCY-CQSZACIVSA-N 472.434 2.416 30 10 JEEE C=C(Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](OCC)C1)c1ccccc1 1722539882 CFWWLSMJJWXIGM-LEWJYISDSA-N 475.615 2.330 30 10 JEEE C=C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC(C)(C)N2CCOCC2)CC1 1722561481 RIYCYYDZMZFCCL-UHFFFAOYSA-N 488.658 2.463 30 10 JEEE CC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](N2CCOCC2)C(F)(F)F)C1 1722813961 HQZSWJAJMJQWED-WOJBJXKFSA-N 491.518 2.185 30 10 JEEE CC(C)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCN2S(C)(=O)=O)CCO1 1723220896 BBLIABVWBLYLOM-UXHICEINSA-N 458.588 2.102 30 10 JEEE CCOCc1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1C[C@H]1CC(=O)N(CCOC)C1 1728997348 AEAKKFZOBBEIPN-FQEVSTJZSA-N 464.570 2.475 30 10 JEEE CCS(=O)(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C2CC2)N(C)C)CC1 1729183687 DIPYQAIIOZGCQM-JOCHJYFZSA-N 486.642 2.472 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C(F)(F)F)c1 1740550903 JXFNTAOBGDWWKT-PBHICJAKSA-N 471.505 2.136 30 10 JEEE C#CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1740591539 UEMAHTAQOIANIY-IBGZPJMESA-N 496.616 2.393 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Br)n1C[C@@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1740618737 BCXSKDDASMUDIC-HZPDHXFCSA-N 480.432 2.284 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CCCN(C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1740624193 DLPAYHXMAUEMDX-HSZRJFAPSA-N 478.622 2.417 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H]1CCCN(CC(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1740624542 IADZSROGFOQVFQ-FYYLOGMGSA-N 484.670 2.259 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@H]1CCN(CCC)C1)[C@@H]1CCS(=O)(=O)C1 1740628516 QUVBLNKCUSGGBD-PZJWPPBQSA-N 489.617 2.355 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCCC1 1740656202 ILCWGXUOVUQBRY-HXUWFJFHSA-N 456.591 2.145 30 10 JEEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CC[C@H](C)N(C)Cc2ccccc2)CC1 1740698888 OPDPCXXJGIHUQX-QFIPXVFZSA-N 463.630 2.066 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](c2ccccc2)N2CCCC2)CC1 1740701191 XQRRMHAECXOLSA-HSZRJFAPSA-N 491.640 2.219 30 10 JEEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(NC(=O)COC)CC1 1740843537 KIJDTRDMLQPHEX-UHFFFAOYSA-N 455.563 2.259 30 10 JEEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2nc(C)c(C)s2)CC1 1740868941 WZWCVTOCDLCSDC-OAHLLOKOSA-N 453.638 2.254 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1740960932 GUPVTUMUCGILKW-IBGZPJMESA-N 497.003 2.222 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1740975746 XPAMKPSUCNLGDB-HKUYNNGSSA-N 491.614 2.025 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H](C)c1ccccc1 1741130914 CKQJUAWMENCYGG-WSTZPKSXSA-N 460.604 2.401 30 10 JEEE CCOc1ncccc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1746896418 AUOSYOVHIUWLPQ-UHFFFAOYSA-N 481.582 2.130 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1CCC[C@@H](O)C1)[C@H]1CCS(=O)(=O)C1 1748819083 KGOOMYIGRAQZIF-HLAWJBBLSA-N 460.575 2.186 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC1(O)CCN(C(C)C)CC1 1748825003 NIGSQFQESNOJBZ-UHFFFAOYSA-N 462.598 2.455 30 10 JEEE C#CCN(c1nnc(COCC)n1Cc1sccc1Br)[C@H]1CCS(=O)(=O)C1 1748825044 VTHDXYIFBOSCLJ-ZDUSSCGKSA-N 473.418 2.314 30 10 JEEE C#CCN(c1nnc(COCC)n1Cc1cc(-c2ccccc2)no1)[C@H]1CCS(=O)(=O)C1 1748825326 XQKAKISVOBHJDZ-SFHVURJKSA-N 455.540 2.145 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[C@H](C)c2ccc(OC)cc2)CC1 1748990223 WDSCPQFRHFJPBT-PZJWPPBQSA-N 471.627 2.138 30 10 JEEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1749195544 RFGOAAFBVOGOCT-KSFYIVLOSA-N 462.551 2.194 30 10 JEEE COC[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](N2CCOCC2)C(F)(F)F)C1 1749533272 FPDHAFSMTDNYGN-UYAOXDASSA-N 494.518 2.465 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@H](C2CC2)O[C@H](C)C1 1749653226 ZBIZJHWDHLCFKP-CXAGYDPISA-N 463.380 2.352 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1749658390 OYESWJVFHZJFAU-CQSZACIVSA-N 455.943 2.053 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CCN(c2nccnc2C)CC1 1749738584 QSZNWKOTHSPJAI-UHFFFAOYSA-N 481.626 2.089 30 10 JEEE CC(C)(C)S(=O)(=O)CCn1c(Cn2ccc3ccccc32)nnc1N1CCO[C@H](C#N)C1 1750518665 FISRRBMKTMJICC-GOSISDBHSA-N 456.572 2.223 30 10 JEEE CC(C)CCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC(=O)NC(C)(C)C 1750792643 DBDFDFHHXZDPSX-KRWDZBQOSA-N 452.625 2.251 30 10 JEEE C#CCN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1ccco1)[C@H]1CCS(=O)(=O)C1 1760182800 MHIJEQPCTZVFNT-SFHVURJKSA-N 487.969 2.130 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCc1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1760186717 FXOSQEIUZVNKQP-CTNGQTDRSA-N 458.584 2.398 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2C[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 1760261804 CPTUYIBKHNNHLS-OAQYLSRUSA-N 465.602 2.419 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCc2ccc(CC)cc2)CC1 1760271296 SQUMGVXIWGSYQT-UHFFFAOYSA-N 462.598 2.171 30 10 JEEE C=C(Br)Cn1c(CC2CC2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1760310796 DCHXIUWCCCYQGL-INIZCTEOSA-N 451.413 2.272 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2(CCOC)CCCC2)CC1 1760389539 MRQHJKBUWHELRH-LJQANCHMSA-N 467.636 2.364 30 10 JEEE C=CCCOCCn1c(-c2cccn2C)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1760448886 SLKYQOMVTHJQHG-UHFFFAOYSA-N 455.607 2.011 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc3ncccc3c2)C1 1760534877 IGKQPNFQPVGKKA-APWZRJJASA-N 456.572 2.266 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@@H](OC)C(C)(C)C1 1760553245 PEJABVQFPMUJLF-LJQANCHMSA-N 464.588 2.424 30 10 JEEE COc1cc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2CCCNC=O)cc(OC)c1OC 1862762842 SXVYQAALIJJPJU-HXUWFJFHSA-N 499.476 2.335 30 10 JEEE CCCCCCCCC(=O)Nc1nc(N2CCN(CC)CC2)nn1[C@@H]1CCS(=O)(=O)C1 1870045193 WCGBFAJMGXTSRD-GOSISDBHSA-N 454.641 2.469 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)N[C@H](C)CC)cn1CCCN1CCCC1=O 1870522347 ZFLYDUGRNYHIOM-HXUWFJFHSA-N 458.603 2.328 30 10 JEEE C=CCN=c1nc(Nc2ccc(I)cc2)[nH]c(N(CCOC)CCOC)n1 1871703835 IGTZDRZKJFJXOH-UHFFFAOYSA-N 484.342 2.339 30 10 JEEE NC(=O)CSc1nnc([C@H]2CC(=O)N(Cc3ccccc3)C2)n1/N=C/c1ccc(F)cc1 1874210272 OTZMOKGBERAZTG-XMQIJXBMSA-N 452.515 2.393 30 10 JEEE CC(C)N1C[C@@H](c2nnc(SCCO)n2/N=C/c2cc(Br)ccc2O)CC1=O 1874341843 TYBWATXTJAQFON-QOJWJBQSSA-N 468.377 2.437 30 10 JEEE COc1cc(/C=N/n2c(S)nnc2CNC(C)=O)ccc1OCC(=O)Nc1ccccc1 1874559141 ZAQFUDFTAVCXKK-FOKLQQMPSA-N 454.512 2.111 30 10 JEEE C=CCn1c(C(=O)N2CCN(C(C)=O)CC2)cc2c(NCCCCN3CCCC3)ncnc21 1875231034 XKDQLYWLHHTTAK-UHFFFAOYSA-N 453.591 2.210 30 10 JEEE O=C(NCC#CCN1CCc2ccccc2C1)[C@H]1SCC(=O)N(C2CC2)[C@@H]1c1cccnc1 1889492783 UXAKPAAHOOVHHL-RPBOFIJWSA-N 460.603 2.407 30 10 JEEE CCOc1ccc(-n2nnc3c(N4CCN(C(=O)Cc5ccc(C#N)cc5)CC4)ncnc32)cc1 1891235779 XGOHQRXWQDCVIA-UHFFFAOYSA-N 468.521 2.372 30 10 JEEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)N3CCN(c4cncc(N5CCCC5=O)n4)CC3)n[nH]2)c1C 1891526902 CMFDMKLCBDLKQU-UHFFFAOYSA-N 489.584 2.345 30 10 JEEE N#Cc1ccc(N2CCN(C(=O)[C@H]3CCCCN3S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)cc1 1892400147 ITIPWIADPVEMJW-JOCHJYFZSA-N 483.550 2.358 30 10 JEEE C[C@H]1C[C@@H]2[C@H]([C@@H](O)C[C@@]3(C)[C@@H]2CC[C@@]3(O)C(=O)COC(=O)CCC(=O)O)[C@@]2(C)C=CC(=O)C=C12 1903858748 IMBXEJJVJRTNOW-DJZQWZNHSA-N 474.550 2.219 30 10 JEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@]1(C(=O)O)CCCN(C(=O)OC(C)(C)C)C1 2059802188 WQDPKNPIBRVIIP-IVZQSRNASA-N 453.536 2.264 30 10 JEEE CCO[C@@H](CNC(=O)OC(C)(C)C)CC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2124523707 JNWGAXYZDRDGFL-OAHLLOKOSA-N 450.345 2.034 30 10 JEEE COC(=O)CN(Cc1ccccc1)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2247953933 XLETXPRKQLFLTF-UHFFFAOYSA-N 451.375 2.411 30 10 JEEE C=C(CS(=O)(=O)N=[S@]1(=O)CC[C@H](NC(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2247960901 AFPLCERMSHTBKW-MMEWPQADSA-N 464.415 2.269 30 10 JEEE C[C@@H]1CC[C@@H](CNC(=O)C(F)(F)F)N(C(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C1 2267160290 WDAZVOIAPILDLK-NEPJUHHUSA-N 461.315 2.362 30 10 JEEE CCO[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1NC(=O)c1coc(B2OC(C)(C)C(C)(C)O2)c1 2267196634 RQMXEOHIDHVWQN-INMHGKMJSA-N 450.341 2.379 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCOC[C@H]1NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2267368921 PYYRMDLQXQAHMD-HUUCEWRRSA-N 488.437 2.008 30 10 JEEE C[C@@H](CCNS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1)N(C)C(=O)OC(C)(C)C 2267379695 TZCUKTIRFRTLRP-HNNXBMFYSA-N 469.413 2.305 30 10 JEEE CC1(C)OB(c2nscc2C(=O)N2C[C@H]3OCCN(Cc4ccccc4)[C@@H]3C2)OC1(C)C 2267549042 WSYQWBSRMVJNIU-RTBURBONSA-N 455.389 2.168 30 10 JEEE COC(=O)C1(Nc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)CN(C(=O)OC(C)(C)C)C1 2268995084 BAZBTKHXURXNMS-UHFFFAOYSA-N 451.304 2.094 30 10 JEEE CCC[C@@]1(NC(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)CCN(C(=O)OC(C)(C)C)C1 2281955112 GXWQYCJFGRBXJY-JOCHJYFZSA-N 463.388 2.024 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1CO 2281969476 MFCFVPNLXVOZOX-CABCVRRESA-N 481.424 2.098 30 10 JEEE Cc1c(C(=O)NCC23CC(CN2C(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281990892 STRMBACIBPMTKB-UHFFFAOYSA-N 460.384 2.157 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@]2(C[C@H](NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)sn3)CO2)C1 2281995673 GAGWWDSJUNQYEH-RCDICMHDSA-N 479.408 2.341 30 10 JEEE Cc1ccnc(C(=O)N(C)CCOCCNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2281997869 HVKHYXJUEVXDTE-UHFFFAOYSA-N 463.384 2.303 30 10 JEEE C[C@@H](NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)c1csc(NC(=O)OC(C)(C)C)n1 2282172037 RGLOVYJOXHXHBB-LLVKDONJSA-N 478.384 2.409 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@]2(CNC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2282172337 VNTOSAVMNWEJCT-WNSKOXEYSA-N 458.368 2.153 30 10 JEEE COC(=O)[C@]1(NC(=O)OC(C)(C)C)C[C@H](NC(=O)c2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2282510405 XXGIRQJGSLWJKU-MRAWUWRDSA-N 480.392 2.376 30 10 JEEE Cc1ccnc(C(=O)NCC2CCN(C(=O)C(F)(F)F)CC2)c1B1OC(C)(C)C(C)(C)O1 2282571819 FKIVFIYYLGEIBH-UHFFFAOYSA-N 455.286 2.220 30 10 JEEE CC(C)(C)OC(=O)N=c1[nH][nH]cc1CNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1O 2282813721 FUVWPKGJWMESKJ-UHFFFAOYSA-N 458.324 2.113 30 10 JEEE Cn1nccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2283981811 QEZYVONJHGEIEE-OAHLLOKOSA-N 477.396 2.058 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2OCC[C@@]2(C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)C1 2296392219 NUMQYGINZXHWEN-OYHNWAKOSA-N 479.408 2.085 30 10 JEEE COc1cc(OC)c([C@@H]2C(=C(O)c3ccncc3)C(=O)C(=O)N2CCCN(C)C)cc1OC 2296932721 JPBZBIXLYVNMLE-OAQYLSRUSA-N 455.511 2.481 30 10 JEEE 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 2312597084 YMGOCOYIDLYOCQ-FLXSYLCISA-N 453.580 2.436 30 10 JEEE CC(=O)NCc1nnc(S)n1N=Cc1cc(Br)c(O)c(Br)c1O 2321943068 RCTDULQPIGRGAT-UHFFFAOYSA-N 465.127 2.021 30 10 JEEE COC(=O)CSc1nnc([C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)n1N=Cc1ccncc1 2325881674 JMSVSUSNORTVEU-MRXNPFEDSA-N 466.523 2.350 30 10 JEEE O=C(CN1C(=O)c2ccccc2C1=O)N[C@@H]1CCN[C@H](C(=O)C=Cc2ccc(Cl)cc2)C1 2328071910 QMWOOSYOMJKBDR-XLIONFOSSA-N 451.910 2.455 30 10 JEEE COc1ccc(C=Nn2c(CNC(C)=O)nnc2SCC(=O)NCc2ccccc2)cc1OC 2330794272 NAFWAJOBJRXWSS-UHFFFAOYSA-N 482.566 2.222 30 10 JEEE CC(C)(C)OC(=O)NOCCCNC(=O)c1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1O 2339450563 UQWCUZKDESJFGI-UHFFFAOYSA-N 454.304 2.407 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 2362461700 QHTFSGHTIJIIFU-HSALFYBXSA-N 450.392 2.360 30 10 JEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)N1CC[C@](C)(B2OC(C)(C)C(C)(C)O2)C1 2368335169 FPNYMUJWNWMRGX-ZHRRBRCNSA-N 486.440 2.495 30 10 JEEE CCCCCOc1ccccc1C(=O)NC(=S)Nc1ccc(S(=O)(=O)N=C(N)N)cc1 14035950 MYPPBKUDDLSQNW-UHFFFAOYSA-N 463.585 2.345 30 10 JEEE COCCOc1ccc(C(=O)NC(=S)Nn2c(C)cc(C)c(C#N)c2=O)cc1Br 14662122 GUDLYJGGBPNOMD-UHFFFAOYSA-N 479.356 2.383 30 10 JEEE COc1cc(/C=N/Nc2nnc(SCC(=O)Nc3cccc(C)c3)n2N)cc([N+](=O)[O-])c1O 21326722 STYOGAKLPIRVNO-ZVBGSRNCSA-N 472.487 2.100 30 10 JEEE C[C@H](C(=O)Nc1ccccc1OC(F)F)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 31295089 BAMFYHRHEUKSPZ-OAHLLOKOSA-N 464.494 2.493 30 10 JEEE C=CCNC(=O)[C@H](NC(=O)c1ccc2c(c1)OCO2)C1CCN(C(=O)c2ccc(OC)cc2)CC1 36211644 YFTBJEIKWSNZLC-HSZRJFAPSA-N 479.533 2.377 30 10 JEEE COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(O)c(OC)c2)c(C)c1 102532869 IDLMCMDFUATABP-UGUGFTGJSA-N 482.533 2.472 30 10 JEEE Cc1c(C)c(S(=O)(=O)N/C(=N\CCOCCO)NC(=O)OC(C)(C)C)c(C)c2c1OC(C)(C)C2 104840759 DHPDNVDYTOIHLM-UHFFFAOYSA-N 499.630 2.493 30 10 JEEE Cc1nn(-c2ccccc2)c(N2CCOCC2)c1/C=N/Nc1nnc(SCCN(C)C)[nH]1 253569215 MBTHQADPJKGHFV-PXLXIMEGSA-N 455.592 2.235 30 10 JEEE C=CCNC(=O)c1cccc(S(=O)(=O)Nc2ccc(S(=O)(=O)C[C@@H]3CCCO3)cc2)c1 520187477 OTCYKPRUBUCDRP-SFHVURJKSA-N 464.565 2.356 30 10 JEEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(C(F)(F)F)c2)C1=O 728011563 MVZPAEBIFLTNAI-STQMWFEESA-N 468.432 2.234 30 10 JEEE Cc1cc(C)cc(-n2c(=C(C#N)C(=O)NC(C)C)sc(=Cc3cnn4ccccc34)c2=O)c1 729668213 BEPRFLDQWWGJDF-UHFFFAOYSA-N 457.559 2.191 30 10 JEEE Cn1ncc(C(=O)NCC#CC(=O)O)c1CNC(=O)OCC1c2ccccc2-c2ccccc21 757499849 VZKGUQGGWKVXSV-UHFFFAOYSA-N 458.474 2.277 30 10 JEEE COc1ccc(OC)c(C=NNc2nc(SCC(=O)NCc3nnc(C(C)C)o3)n[nH]2)c1 1083886535 AZKMJWBBMKLDFF-UHFFFAOYSA-N 460.520 2.183 30 10 JEEE CC[C@@H](C)c1ccc(NC(=O)CSc2nnc(NN=Cc3c(C)nn(CCO)c3C)n2N)cc1 1084270211 RDWKAZCATCUAGB-CQSZACIVSA-N 485.618 2.488 30 10 JEEE C#C[C@@H]1CCCN(CC(=O)NCCN2C(=O)S/C(=C/c3ccc(OC)c(OC)c3)C2=O)C1 1195568564 QPOJTMHRBKGDOY-RBYWHNRPSA-N 457.552 2.202 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2C[C@@H]2NC(=O)CC2(C)C)c1 1286309509 LIKBJMAAVCAPAY-FQEVSTJZSA-N 457.538 2.311 30 10 JEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1286383642 YJLKCJFFXQWEQM-QGZVFWFLSA-N 495.527 2.208 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H](Cc1ccccc1)OC)[C@H]1CCS(=O)(=O)C1 1286387688 UDACRYVIXUIYIW-LEWJYISDSA-N 465.579 2.225 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1CC1(SC)CC1)[C@H]1CCS(=O)(=O)C1 1286388010 KELVHYPHAZSMKY-INIZCTEOSA-N 476.624 2.485 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1286398853 RECMNNPSPNDQIK-CEXWTWQISA-N 495.646 2.306 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H](C)Oc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1286398933 UDXQZTFKUUHPQN-ILZDJORESA-N 462.547 2.363 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2F)n1CC1(O)CCS(=O)(=O)CC1 1286423976 RTYPZJZUBCOHGZ-UHFFFAOYSA-N 464.950 2.140 30 10 JEEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1286511167 GOGOTUHWAJGOCL-JOCHJYFZSA-N 475.640 2.410 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](C(=O)NCCC)C1 1286545712 ALLXVKNVVPDMQN-UFYCRDLUSA-N 458.607 2.238 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCOCC1 1286555883 LSQXOBASUMRTPD-QYZOEREBSA-N 463.579 2.404 30 10 JEEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2c(C)cccc2C1 1286607890 LJCOSNQCLPYFSQ-NRFANRHFSA-N 475.615 2.075 30 10 JEEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2cccc(OC)c2)C1 1286620568 OPVTVZQSDGESNY-RHSMWYFYSA-N 455.968 2.227 30 10 JEEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 1286628695 FFKNZCGMPKKDAG-CABCVRRESA-N 460.000 2.378 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(Cc2cccc(Cl)c2)CC1 1286787958 NEYVDAGXSZFOSL-LJQANCHMSA-N 458.994 2.450 30 10 JEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N(C)[C@@H]1CCN(Cc2ccccc2)C1 1286791270 XGSGNBJMVYDNAY-JOCHJYFZSA-N 462.602 2.153 30 10 JEEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C(C)C)C2)cc1 1286794558 KKSQHILYBKSPIJ-FXAWDEMLSA-N 463.604 2.363 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2cc(C)cc(C)c2)C1 1286809229 HMZDTPKTILYYSQ-FCHUYYIVSA-N 489.642 2.252 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](C(F)F)C1 1286815499 WHULVQAZWZWNEH-INIZCTEOSA-N 488.582 2.431 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@@H]1CCCCN1C1CC1 1288775044 BNGAPRDLWFFKMG-UWJYYQICSA-N 471.631 2.413 30 10 JEEE C[C@@](O)(C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N2CCOCC2)CC1)C(F)(F)F 1288885221 CACDLPFKABXXPK-JOCHJYFZSA-N 492.502 2.205 30 10 JEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 1300410557 PALFIGFJUQYEOZ-LPHOPBHVSA-N 474.562 2.133 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(C)(C)C)CC1 1300884726 LYRIPSJTBBEXEQ-UFYCRDLUSA-N 465.664 2.472 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1300898733 ZWGZJPPYGJNNGY-NJNPRVFISA-N 493.605 2.448 30 10 JEEE C=C(C)CN(CC)c1nnc(COc2ccccc2OC)n1CC1(O)CCS(=O)(=O)CC1 1300925063 OBONQIVWJNWHSI-UHFFFAOYSA-N 464.588 2.208 30 10 JEEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCCN(C(C)=O)CC1 1301206969 MJQRZAQDBRKHMY-UHFFFAOYSA-N 460.604 2.220 30 10 JEEE C=CCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1301240572 CRDPNWZFSONHCE-HYBUGGRVSA-N 477.613 2.398 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc(-c2cnccn2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1301350860 BKUNVBXRFFHZFY-KRWDZBQOSA-N 471.562 2.348 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1301491810 NXRVOOIKFCYTNQ-UHFFFAOYSA-N 466.586 2.485 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1301492337 FOIOLUUJDRBRNJ-QGZVFWFLSA-N 456.938 2.090 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CC[S@@](=O)C(C)(C)C)C1 1301544993 CGKNUXNNEBVRIO-AONNBLCTSA-N 470.603 2.249 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H](C)C[C@H](C)C1 1301575941 NGIKXXQTIZQVFI-ROUUACIJSA-N 495.671 2.279 30 10 JEEE N#C[C@@H]1CN(c2nnc(CSc3ccc(Cl)cc3)n2Cc2ccc(C(N)=O)nc2)CCO1 1303008912 BZZIWOSSKPJKTH-MRXNPFEDSA-N 469.958 2.495 30 10 JEEE CCN1CCN(C[C@@H](C)Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCO[C@@H](C#N)C2)CC1 1313951000 CFDFXMOUQSMYDT-CIAFKFPVSA-N 473.666 2.199 30 10 JEEE CN(CC(=O)N1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](c1ccco1)N(C)C 1314701145 BDPWFPSJHMOCHD-FQEVSTJZSA-N 463.542 2.008 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1CCNC(=O)c1ccc(C)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1358963511 JLJRJSDLCOLBPI-LJQANCHMSA-N 489.617 2.371 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H](C)N1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1358965089 NNZJFXNXJHPDLG-IRLDBZIGSA-N 470.643 2.011 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(=C)Br 1358972215 XZGKAWLJERSLAM-UHFFFAOYSA-N 462.373 2.177 30 10 JEEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1359050336 NYUPZDVYRYVWQZ-KRWDZBQOSA-N 493.431 2.230 30 10 JEEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1359057962 NWHCBPSPBMTCQF-OAHLLOKOSA-N 469.583 2.032 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccc1F 1359099942 VBKNHSDXZDZKKA-JBACZVJFSA-N 493.605 2.368 30 10 JEEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C)cc2)CC1 1359127069 HKJLUJHMTBTGLN-LJQANCHMSA-N 462.620 2.116 30 10 JEEE C=CCCOCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](CC(N)=O)C1 1359228296 ZDBUHICGUJYEEF-OALUTQOASA-N 492.621 2.271 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1359302152 XYFGNTSPJSLRHT-OAHLLOKOSA-N 454.472 2.383 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1359329115 ZAZZNPVNECTDLX-GOSISDBHSA-N 479.006 2.240 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CC[C@@](O)(c2ccc(C)cc2)C1 1359330580 WZETYEGQGIEILV-QHCPKHFHSA-N 453.568 2.347 30 10 JEEE C=CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H](CN2CCOCC2)C1 1359337997 IMIBAIDULSDYJL-LJQANCHMSA-N 491.683 2.426 30 10 JEEE C#CCn1ccc(CN(CCOC)C(=O)CC[C@@H]2NC(=O)N(c3ccc(Cl)cc3)C2=O)n1 1448855598 FZDOBXCGMWAUBB-IBGZPJMESA-N 457.918 2.050 30 10 JEEE C[C@H](C(=O)NCc1ccc(CN2CCOCC2)cc1)N1CCN(c2ccsc2C#N)CC1 1460413671 HCBMVICTUOMJFI-LJQANCHMSA-N 453.612 2.279 30 10 JEEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)c1 1466134642 YZIRJTRKCKVBHK-CQSZACIVSA-N 451.907 2.479 30 10 JEEE CNC(=O)[C@@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CN(CC(C)C)CCO2)C1 1503724383 BNIXVKSEQNASPS-OFVILXPXSA-N 465.602 2.136 30 10 JEEE C#CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(C(=O)OC)CC1 1507560014 CIGZMJOZMWERSK-UHFFFAOYSA-N 458.588 2.431 30 10 JEEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](C(=O)OC)C1 1507588705 PKUCYWVZNAYJDJ-ZWKOTPCHSA-N 461.563 2.389 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2Cl)n1CCn1cncn1)[C@H]1CCS(=O)(=O)C1 1507626107 DADCXIBFMPZMRJ-HNNXBMFYSA-N 480.381 2.170 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ccnc(OC2CCCC2)c1 1507702843 MVJKMPRTAKWLRQ-UHFFFAOYSA-N 452.559 2.365 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc[nH]2)n1C[C@@H]1C[C@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1507708247 FTKYWWOVNSXMSQ-BJLQDIEVSA-N 470.574 2.384 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(S(C)(=O)=O)cc2)CC1 1507721834 UQBNNLOGOZGPST-UHFFFAOYSA-N 470.986 2.201 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCCN2CCC[C@H]2C(=O)N(C)C)CC1 1507724419 OUUYZOJSPIQABT-QHCPKHFHSA-N 498.075 2.220 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1ccc(F)cc1)N(C)C 1507821066 SVDVIXSBJPODSX-SFTDATJTSA-N 494.637 2.455 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1507844832 QXRBIIBLLQGUEL-AWEZNQCLSA-N 486.520 2.144 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCOc2cccc(C)c2)CC1 1507904047 WUUAXOJPRSLNFU-OAQYLSRUSA-N 475.615 2.401 30 10 JEEE C=CCCOCCn1c(-c2cccc(OC)c2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1507958186 QHNOZOXVAZCQRV-XMMPIXPASA-N 468.558 2.361 30 10 JEEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 1507962980 ZEBRRSCJNVKYJK-QGZVFWFLSA-N 458.588 2.154 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCOC2)n1CC1(O)CCS(=O)(=O)CC1 1508008654 QLIMUHTWKZFZSN-QGZVFWFLSA-N 466.629 2.366 30 10 JEEE CN(c1nnc(-c2ccc(C#N)cc2)n1CCCS(C)(=O)=O)C1CCN(CCn2cccn2)CC1 1517041001 DLSMBAKDONONJQ-UHFFFAOYSA-N 496.641 2.049 30 10 JEEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C[C@@H]2CCOC2)C1 1517624045 ARPVEGQXWYLUIB-MOPGFXCFSA-N 458.588 2.009 30 10 JEEE N#Cc1ccc(OCc2nnc(N3CCC[C@H](C(N)=O)C3)n2CCn2cc(Br)cn2)cc1 1521101634 FYTMYYOCKAHHTA-INIZCTEOSA-N 499.373 2.090 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)(C)N1CCc2ccccc2C1 1538974098 QZZSJCLMPHWVIS-QZTJIDSGSA-N 458.632 2.183 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2CCNC(=O)c2ccco2)c1 1539040277 PNJVRABQYUWRTB-UHFFFAOYSA-N 469.505 2.419 30 10 JEEE C#CCCCn1c(N2CC[C@@H](C(=O)NCC(F)(F)F)C2)nnc1[C@@]1(OC(C)C)CCOC1 1539140793 QWQHLKYKGUDOBG-OXQOHEQNSA-N 457.497 2.237 30 10 JEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1C[C@@H]1CCC=CO1)[C@@H]1CCS(=O)(=O)C1 1539224463 HIYXDFXKOZESFK-IRLDBZIGSA-N 470.595 2.391 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCS(=O)(=O)CC=C)CC1 1539430173 HKDUPYPVVDVCPJ-OAQYLSRUSA-N 471.627 2.391 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2Cc2cccc(C(=O)NCCC)c2)CC1 1539484436 OZWOEHMWONTBPV-UHFFFAOYSA-N 499.619 2.418 30 10 JEEE C=C(Br)Cn1c(COc2cccc(C)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1539607246 AUKWATLDRULCGK-NVXWUHKLSA-N 465.348 2.434 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(F)F)CC1 1539644736 ILOGKTIUQJDHOD-XEYPJELSSA-N 455.550 2.370 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)c1cc(C)oc1C 1539668735 DENOXYSQRBIECF-DENIHFKCSA-N 481.619 2.131 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCOc2ccc(OC)cc2)CC1 1539849051 UGECXHCSXADLGB-OAQYLSRUSA-N 491.614 2.245 30 10 JEEE C=CCCCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1539955410 WPUCZANFPKAHIH-LJQANCHMSA-N 482.585 2.244 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1CCC1(O)CCOCC1 1540120033 AXIFAGDTJHAHPQ-FQEVSTJZSA-N 450.543 2.225 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCCCO2)n1C[C@@]1(O)CCS(=O)(=O)C1 1540128589 NLDWYNBZGUUTJV-REWPJTCUSA-N 471.583 2.134 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(C(=O)c2ccccc2OCC)CC1 1540868649 MLDYOFPVKACQNU-UHFFFAOYSA-N 475.553 2.003 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1540879568 HZRGPXQFQVHZTJ-JOCHJYFZSA-N 481.645 2.246 30 10 JEEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccc(F)c2F)CC1 1540910144 YZJXYYLJFFEBNT-OAHLLOKOSA-N 486.614 2.412 30 10 JEEE CC(C)Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCS(=O)(=O)C(C)(C)C 1541472285 DJLRVKLYYHGLGC-QGZVFWFLSA-N 474.635 2.067 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)C(=O)CCNC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C)c1 1544671385 ZNGBBRURAKUTIL-OAQYLSRUSA-N 458.559 2.120 30 10 JEEE CO[C@@]1(C)CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)c2cc[nH]n2)CC1 1554695437 BACVXMGVGLZKCW-DEOSSOPVSA-N 478.557 2.277 30 10 JEEE COC(=O)[C@H](NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)c1ccc(OC)c(Cl)c1 1567753133 HAXQVUYARURLRO-LJQANCHMSA-N 450.900 2.166 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc(Br)s1 1587562772 STTGFHCWVRMCEG-VXGBXAGGSA-N 460.423 2.413 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCN1CCN(C)C(C)(C)C1 1588078823 NGBRVGJEGGAOPP-UHFFFAOYSA-N 461.614 2.246 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1588189499 LHSVPQKSUHNHMJ-GOSISDBHSA-N 477.537 2.433 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2CC(C)(C)C(=O)NC)CC1 1588923503 BKYUFXLIPOPTTP-UHFFFAOYSA-N 489.580 2.338 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2CC[C@@H]2CCOC2)CC1 1588962134 WBQNNVOCEFKYNK-HXUWFJFHSA-N 451.571 2.292 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(C)cc2)CC1 1588968343 IWAABAPYDMQTLB-VXKWHMMOSA-N 451.571 2.325 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N(C)CCCS(C)(=O)=O 1589557226 HCPQRBXKXXCVOJ-APWZRJJASA-N 453.634 2.486 30 10 JEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1594679190 ARPNGAVJHFRAGJ-KRWDZBQOSA-N 452.625 2.083 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@H](N2CCCC2=O)C1 1595477801 ZTVSPDRUWSTXNZ-MSOLQXFVSA-N 470.549 2.451 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 1595501530 XDNVGAQEKHCQFC-UHFFFAOYSA-N 466.517 2.179 30 10 JEEE C=CCOc1ccc(Cn2c(C)nnc2N2CCN(C[C@H]3CN(C(C)C)CCO3)CC2)cc1 1595608527 SRYDMIBVNOXGKW-DEOSSOPVSA-N 454.619 2.431 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1595796615 ARNHWPMQRKEMNW-FQEVSTJZSA-N 479.647 2.349 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 1595798581 QTSOFTOMHQVBNJ-ICSRJNTNSA-N 481.663 2.150 30 10 JEEE C[C@@H]([C@@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCCC(=O)NC1CC1)S(C)(=O)=O 1596866567 HBLJXBWMLGSHKF-CVEARBPZSA-N 458.588 2.133 30 10 JEEE CS(=O)(=O)Cc1ccc(Cn2c(Cc3ccccn3)nnc2N2CC[C@](F)(C#N)C2)cc1 1620158773 GJWHYVWRFADBOW-QFIPXVFZSA-N 454.531 2.299 30 10 JEEE C=CC[C@@H](CO)CNC(=O)c1cc(Br)cn(CCNC(=O)OC(C)(C)C)c1=O 1631912612 HZOMZCKMJDSECI-CYBMUJFWSA-N 458.353 2.050 30 10 JEEE C=CCN1CC[C@@H](N(C)C(=O)c2ccc3c(c2)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N3)C1=O 1639594988 YDDBGNGJOMPWRY-RBUKOAKNSA-N 456.543 2.324 30 10 JEEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N2C[C@@H](O)[C@H](CO)C2)c1 1642401932 QNEUATIAPZSPTM-OXJNMPFZSA-N 450.944 2.147 30 10 JEEE CN(CCNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)c(F)c2)CC1)Cc1ccccc1 1662493617 BORGLRAXQACWDU-UHFFFAOYSA-N 458.559 2.346 30 10 JEEE C#CCN(c1nnc(-c2cc3c(s2)CCCCC3)n1CC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1689982620 QTDRCLCHNAWWTF-SFHVURJKSA-N 489.667 2.427 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1ccc([C@@H](C)O)cc1)[C@@H]1CCS(=O)(=O)C1 1689986758 WRVLIIUCPHZRHQ-DYESRHJHSA-N 451.552 2.068 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CC[C@@H](C)C2)n1 1690109112 HGPXXWGWWTVUOF-HSALFYBXSA-N 474.631 2.099 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CC(C)(C)N2CCC(OC)CC2)CC1 1690146603 RWJFOXUFKQUHDY-UHFFFAOYSA-N 458.651 2.332 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CCN(CC)C2CC2)CC1 1690150343 DJXMYJIFIVDPDT-UHFFFAOYSA-N 455.632 2.084 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1690228252 RCVGFEOAMNBAMC-QGZVFWFLSA-N 492.422 2.461 30 10 JEEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(CCOC)[C@@H](CC)C1 1690667768 HIDYDSWQRPUUSI-IBGZPJMESA-N 465.602 2.286 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 1690670644 GKPYYFALRNDWEA-RTBURBONSA-N 467.574 2.380 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N(C)C[C@@H]1CCCOC1 1690724789 WNOISCXVVJDEBX-FXAWDEMLSA-N 462.572 2.254 30 10 JEEE Cc1nnc([C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCC(=O)NC(C)C)CCO2)o1 1693440554 BENKKTADXPONBF-SFHVURJKSA-N 450.503 2.001 30 10 JEEE CCS[C@@H]1CCCCN(c2nnc(COc3ccc(C#N)cc3)n2CCNS(C)(=O)=O)C1 1696554096 AHUOUAVFNCRBKT-LJQANCHMSA-N 478.644 2.390 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCCO3)n2CCCN2CCOC2=O)c1 1705507153 SWLXKPPPFRSRDT-FQEVSTJZSA-N 466.542 2.418 30 10 JEEE C#CCCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1705511461 VPWFYFYZPSEURT-UHFFFAOYSA-N 486.523 2.277 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1oc(CCC)nc1C)[C@H]1CCS(=O)(=O)C1 1705568955 BDFQKHBIKHCWAQ-IBGZPJMESA-N 468.583 2.188 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1705575515 MSMVSVMVOCBWMR-UHFFFAOYSA-N 498.385 2.363 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1(S(C)(=O)=O)CCCC1 1705587808 JUHNLZQEHMPGPL-KDURUIRLSA-N 489.642 2.479 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2ncccc2C)CC1 1705640394 PQNWOSSNAMUFQL-OAQYLSRUSA-N 481.601 2.093 30 10 JEEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1705667913 YWCVMUMBZQPFRI-QHAWAJNXSA-N 474.675 2.123 30 10 JEEE C=C(C)COCCn1c(COc2ccccc2OC)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1705740783 WTJBZSHBDBYGTH-HSZRJFAPSA-N 457.531 2.489 30 10 JEEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2CCN(C(C)=O)CC2)C[C@@H]1C 1712486219 GHOLMINCDDUIKA-IBGZPJMESA-N 465.602 2.232 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1cc(Br)ccc1F 1722277683 OHQWZTMXAFSUFV-QWHCGFSZSA-N 472.384 2.491 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1ccc(N2CCOCC2)nc1 1722375950 VOIXHDBJEZECHU-UHFFFAOYSA-N 457.494 2.206 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 1722381134 ILNUFNDWJUHYKL-MSOLQXFVSA-N 452.559 2.092 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)NC(CC)CC)n1CCc1nnc2n1CCCCC2 1722387597 MRDWAGNOZXLUNC-UHFFFAOYSA-N 450.591 2.220 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCOCCS(C)(=O)=O)CC1 1722434331 OFDXSELXYHHVJB-UHFFFAOYSA-N 473.643 2.059 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1722434366 QBEIHILLZNJNLV-QGZVFWFLSA-N 492.443 2.288 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@H](C)Oc2ccccc2OC)CC1 1722446289 QURHEPYULVJHHX-SFHVURJKSA-N 475.553 2.177 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(NC(C)=O)CC1 1722491315 JWPOMACIUODJTE-XLIONFOSSA-N 453.547 2.012 30 10 JEEE C=CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H]1NC(=O)CC1(C)C 1722679750 LAXBUYLQDKARRP-LJQANCHMSA-N 479.585 2.228 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Br)s2)nnc1N(C)CC(=O)NC(C)C 1722750103 KIKWRHZDQPZYNG-UHFFFAOYSA-N 490.449 2.331 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1722750846 PPVZCGQVTLRGHV-QGZVFWFLSA-N 498.696 2.500 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CC(=O)N(C)C2CCCCC2)c1 1740561845 CYWQZSFAYLHYAB-OAQYLSRUSA-N 491.596 2.077 30 10 JEEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1C[C@H](F)COC)[C@H]1CCS(=O)(=O)C1 1740623838 BPNLYMZJZIIKPH-OALUTQOASA-N 464.563 2.085 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CCOCC(F)F)[C@@H]1CCS(=O)(=O)C1 1740626034 RNWVWIVXDBHMLY-CQSZACIVSA-N 474.480 2.056 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCC)[C@@H]1CCS(=O)(=O)C1 1740627197 FFZMASYPXUBGMB-SJORKVTESA-N 451.593 2.387 30 10 JEEE C#CCN(CC)c1nnc(-c2ccc3c(c2)OCO3)n1CCCN1CCC[C@H]1C(=O)N(C)C 1740666709 ZYJNRMFVMQZEFS-IBGZPJMESA-N 452.559 2.076 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3)n2CCCN2CCOC2=O)CC1 1740697862 NQVHMDDCDKIXFE-UHFFFAOYSA-N 473.375 2.305 30 10 JEEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOCC)[C@@H](CC)C1 1740745613 ZJOWWRMHHIXAPR-IRXDYDNUSA-N 490.468 2.026 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1740774052 KHNFVINSMHYUPH-XLIONFOSSA-N 461.588 2.475 30 10 JEEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2cc(OC)c(OC)c(OC)c2CC1 1740782098 CBDICLVZVGALSI-QGZVFWFLSA-N 476.599 2.387 30 10 JEEE C=C(C)COCCn1c(COc2ccccc2F)nnc1N1CCc2nn(C)c(=O)cc2C1 1740797119 KUCQZLGEIDJMRF-UHFFFAOYSA-N 454.506 2.245 30 10 JEEE C=CCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1740895856 WYLXHITXRWJTFB-LJQANCHMSA-N 454.575 2.281 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H]2CCS(=O)(=O)C2)C1 1740975078 RTYCUIPFPFCGCX-GOEBONIOSA-N 484.420 2.262 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(C(=O)C(C)C)CC1 1740987533 IEPFGAWZFULHMG-UHFFFAOYSA-N 470.599 2.112 30 10 JEEE CCCCN(C)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@](F)(C#N)C1 1745431749 FLLJCHRUVLZRJA-QHCPKHFHSA-N 452.538 2.366 30 10 JEEE CCN(CCCn1c(-c2cccc(C#N)c2)nnc1N(C)C[C@H]1CCCOC1)S(C)(=O)=O 1746309030 DCCZSPIUVLHOJV-LJQANCHMSA-N 460.604 2.351 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CCCN(CC)S(C)(=O)=O 1748650001 WHARJAAKSKNPAB-ZDUSSCGKSA-N 457.398 2.165 30 10 JEEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC(NS(C)(=O)=O)CC1 1748764049 GTHPPBDLGGKHQY-SFHVURJKSA-N 480.635 2.282 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Br)n1C[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1748809204 KQHHKIPCXJYKMS-HOTGVXAUSA-N 479.400 2.371 30 10 JEEE C#CCN(c1nnc(COCC)n1Cc1ccc(OCC(F)(F)F)cc1)[C@H]1CCS(=O)(=O)C1 1748823711 ADENIXFUZBMLJE-KRWDZBQOSA-N 486.516 2.431 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCO3)n1CCn1cc(Br)cn1 1748838203 YYSSTJMRAZMXSM-UHFFFAOYSA-N 453.300 2.406 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cn(C)c3ccccc23)n1CCCN(C)S(=O)(=O)CC 1748841067 RPWLNKIJFDPJCC-UHFFFAOYSA-N 452.584 2.181 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCCN1C[C@H](C)C[C@@H](C)C1 1748892072 INZJPUDPMYYORD-YPAWHYETSA-N 459.660 2.401 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccc(C)cc2OCC)CC1 1748977710 AESVFOHGVCNDQN-VWLOTQADSA-N 453.587 2.441 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC1 1748983049 HKLVEYQNLDOJOB-QGZVFWFLSA-N 483.926 2.012 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCC[C@@H](O)C2)CC1 1749003863 XYXNDEHWNXCYDV-LAUBAEHRSA-N 466.542 2.370 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1749131448 SDRDHOXDXRUZJO-WIYYLYMNSA-N 478.619 2.098 30 10 JEEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1749450981 ZNXIIOFNBXHISL-UHFFFAOYSA-N 458.563 2.181 30 10 JEEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 1749459310 FYHWLESKVLVASG-UHFFFAOYSA-N 470.549 2.095 30 10 JEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCN(Cc2csc(CC)n2)CC1 1749676088 DKZGDQXBOSBBNQ-UHFFFAOYSA-N 486.671 2.277 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCC[C@@H](Oc2ncccc2F)C1 1749736624 MNPVBIXBTZTRAW-LJQANCHMSA-N 486.573 2.447 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H](C)Oc1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 1760189110 NQLPTCCXFLTCGU-MSOLQXFVSA-N 469.567 2.376 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H]1NC(=O)CC1(C)C 1760243091 VBKWJHUKUMZMSW-IBGZPJMESA-N 452.559 2.148 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCOCCC(C)C)CC1 1760256412 WSBBEBAUGHHOPQ-UHFFFAOYSA-N 459.616 2.167 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CCCNC(=O)OC(C)(C)C)CC1 1760268843 YLMMBROWTWZTQL-UHFFFAOYSA-N 467.574 2.221 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCCN1S(C)(=O)=O 1760290615 KPDBIOQOHVQEAL-DNVCBOLYSA-N 481.420 2.452 30 10 JEEE C=C(Br)Cn1c(COc2ccc(OC)cc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1760311879 CXXUFDKYQCPKBE-PBHICJAKSA-N 462.348 2.489 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(C2CCCC2)CC1 1760315207 BHUXWDBHCRSORC-ZJOUEHCJSA-N 480.679 2.324 30 10 JEEE C=C(Cl)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1760366737 ICWYQLQBURKCIA-GOSISDBHSA-N 492.983 2.291 30 10 JEEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1760431249 IWVBLBYGNUJHAT-HXUWFJFHSA-N 452.607 2.496 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 1760525970 YUXHJLNSCLCKLA-LJQANCHMSA-N 469.590 2.307 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCN2CCOC[C@H]2C)C1 1760538301 XXYQEPBEEBZMSG-QUCCMNQESA-N 457.575 2.464 30 10 JEEE CCn1cccc(Cn2c(CC(C)(C)C)nnc2N2CCN(c3nccnc3C#N)C[C@@H]2C)c1=O 1765344237 AHUURVPLGHEEFR-SFHVURJKSA-N 475.601 2.473 30 10 JEEE CN(C)C(=O)[C@H]1CCCN1CCCn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@@H](C#N)C1 1768426901 AZGFNSKVGKQGCU-VQTJNVASSA-N 471.993 2.270 30 10 JEEE N#Cc1ccccc1NC(=O)NS(=O)(=O)c1ccc(CCNC(=O)Cc2ccncc2)cc1 1859002632 IPOQIFOOPNDRPH-UHFFFAOYSA-N 463.519 2.365 30 10 JEEE CS(=O)(=O)NCCCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccccc1C#N 1860903152 YMABJDZBVYLAMB-OAQYLSRUSA-N 467.551 2.035 30 10 JEEE CCCCCCCCNC(=O)[C@H](CC(N)=O)NC(=O)c1cccn(Cc2ccc(F)cc2)c1=O 1861306444 DXFBIGXWLPTERC-NRFANRHFSA-N 472.561 2.486 30 10 JEEE CN(C)CCCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1862568433 OYAQFXIYEMOQTP-OAQYLSRUSA-N 482.493 2.478 30 10 JEEE C[C@H](NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O 1866871226 CNRGQQVVOLMUDP-IFXJQAMLSA-N 479.562 2.394 30 10 JEEE Cc1ccc([C@@H](C#N)NC(=O)[C@@H](CO)NC(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1 1867534964 KQQSOUCRDWOZBX-DHIUTWEWSA-N 482.496 2.267 30 10 JEEE CC[C@H](NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(=O)N1CCN(c2ncccn2)CC1 1868794394 BVTVJLMWEICLFG-VQTJNVASSA-N 481.626 2.058 30 10 JEEE CCN1CCN(C(=O)[C@@H](CSCc2ccccc2)N=C2NS(=O)(=O)c3ccccc32)CC1 1869928078 OYZLVWSFBWNSMM-HXUWFJFHSA-N 472.636 2.191 30 10 JEEE CC(=O)Nc1ccc(C)c(-n2nnc(C#N)c2NC(=O)c2ccc(N3C[C@H](C(=O)O)CC3=O)cc2)c1 1870151328 SRNOOCWNNGXQLN-MRXNPFEDSA-N 487.476 2.096 30 10 JEEE C=CCn1cc(OCC(=O)Nc2ccccc2C(F)(F)F)c(=O)cc1CN1CCN(CCO)CC1 1870698652 LWOILPWDBVKFGL-UHFFFAOYSA-N 494.514 2.181 30 10 JEEE Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CCC(=O)N1CCN(c2cccc(C#N)c2)CC1 1892139657 CPFKJGVMOZHFSR-OAQYLSRUSA-N 455.584 2.013 30 10 JEEE N#CC1CN(S(=O)(=O)NCCCONC(=O)OCC2c3ccccc3-c3ccccc32)C1 1962359267 ZLSIQBWDXCZTKS-UHFFFAOYSA-N 456.524 2.137 30 10 JEEE C=CCNC(=O)[C@H](C)[S@@](=O)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1990662152 LVQGBJLFXOQFJD-IMSCQQKLSA-N 470.547 2.418 30 10 JEEE C=CCC1(NC(=O)[C@]2(O)CCN(C(=O)OC(C)(C)C)C[C@@H]2O)CCN(C(=O)OC(C)(C)C)CC1 2197427212 LUPUVYWEOUZFIR-XDHUDOTRSA-N 483.606 2.181 30 10 JEEE CC1(NS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2247986443 VJCWGDMKYMPOKU-UHFFFAOYSA-N 458.411 2.335 30 10 JEEE CON(C(=O)c1csnc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2255844272 UIYTWBYTOFDDCU-CYBMUJFWSA-N 453.370 2.455 30 10 JEEE Cc1c(B2OC(C)(C)C(C)(C)O2)csc1C(=O)N[C@H]1COC[C@@H]1NC(=O)OC(C)(C)C 2255871947 PZVOZRUDRRYBMQ-GJZGRUSLSA-N 452.382 2.378 30 10 JEEE C[C@@H]1OCCN(C(=O)OC(C)(C)C)[C@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2256594666 BGEGZFGAQTYWBN-GXTWGEPZSA-N 453.370 2.405 30 10 JEEE CC(C)(C)OC(=O)N[C@]1(C)CC[C@]1(C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2261180508 WLGGMUHIYFKJJU-WOJBJXKFSA-N 452.386 2.281 30 10 JEEE Cc1cc(C(=O)N2C[C@@H](O)C[C@H](NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2267150859 FVFHYXMOKWFOEK-GJZGRUSLSA-N 466.409 2.456 30 10 JEEE CC(C)[C@H](CCNC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1)NC(=O)OC(C)(C)C 2267188430 LYOUXUFZQZUOMO-HNNXBMFYSA-N 450.389 2.389 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](NS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267359075 HYPHCMVVUZYNBT-HZPDHXFCSA-N 467.397 2.105 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H]1CNS(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2267377061 BGFCBTLKYHKJAQ-HOTGVXAUSA-N 466.409 2.425 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(CN(C)C(=O)[C@@H](CO)CNC(=O)OC(C)(C)C)s1 2268716771 VMPAPHMYURZAIO-OAHLLOKOSA-N 468.425 2.447 30 10 JEEE Cc1cnc(C(=O)NCCOCCN(C)C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2281951445 JYNHRUQTDBDBQU-UHFFFAOYSA-N 463.384 2.303 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@]2(C)CCCN(C(=O)OC(C)(C)C)C2)n1 2282042880 FVKCECWEQFAJTQ-HSZRJFAPSA-N 462.400 2.486 30 10 JEEE C[C@H](NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)c1csc(NC(=O)OC(C)(C)C)n1 2282172038 RGLOVYJOXHXHBB-NSHDSACASA-N 478.384 2.409 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)C[C@H]1CO 2282180892 YQVJVGMPPLLMNN-HKUYNNGSSA-N 460.380 2.334 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCCO[C@H]2[C@H]1NC(=O)c1coc(B2OC(C)(C)C(C)(C)O2)c1 2282536979 JRJZJVWTVPOUNL-XOYOTBSWSA-N 462.352 2.379 30 10 JEEE Cn1cc(C(=O)N2C[C@@H]3CCC[C@]3(NC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2282546149 YTSMPUQWYMBYPY-WNSKOXEYSA-N 460.384 2.239 30 10 JEEE Cn1cc(C(=O)N2C[C@@H]3[C@@H](CC[C@H]3NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2282577736 ITJAWPYAOUNHEZ-ZMSDIMECSA-N 460.384 2.095 30 10 JEEE C[C@@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)C[C@@H](C)C1NC(=O)OC(C)(C)C 2282618952 PCGNUTMADUYDHH-HUUCEWRRSA-N 462.400 2.341 30 10 JEEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCCCCN(Cc2ccccc2)C1 2282697441 PXGCKGRJKJMEHF-IBGZPJMESA-N 453.396 2.289 30 10 JEEE CN(C[C@H](O)CNC(=O)OC(C)(C)C)C(=O)c1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1F 2282718014 QXAQJILNLHPIRX-CYBMUJFWSA-N 470.322 2.222 30 10 JEEE C[C@@H]1C[C@@H](NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)nn2C)CCN1Cc1ccccc1 2282859205 JJPSTPDPXRCXHX-MJGOQNOKSA-N 474.436 2.051 30 10 JEEE C[C@H]1COC[C@@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)N1C(=O)OC(C)(C)C 2283969288 IDRVPEDDZIYBMF-BBRMVZONSA-N 465.331 2.483 30 10 JEEE CC(C)(C)OC(=O)NC(C)(C)[C@H](O)C(=O)N1Cc2cccc(B3OC(C)(C)C(C)(C)O3)c2C1 2284022023 FOOMIWRETJVXHH-GOSISDBHSA-N 460.380 2.492 30 10 JEEE Cn1nnc(CNC(=O)OC(C)(C)C)c1C(=O)NCc1sccc1B1OC(C)(C)C(C)(C)O1 2284063151 LIGAVRNSFSWWMF-UHFFFAOYSA-N 477.396 2.131 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N=c1nc(CNC(=O)OC(C)(C)C)[nH]s1 2285192756 GFVJQTFRLJLVJR-UHFFFAOYSA-N 475.380 2.240 30 10 JEEE C[C@H](O)CN(CCNC(=O)OC(C)(C)C)C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2285396910 AKWPMLDSAQGXNK-AWEZNQCLSA-N 483.802 2.382 30 10 JEEE C[C@H]1Cc2cc(C(O)=C3C(=O)C(=O)N(CCN4CCOCC4)[C@H]3c3cccc(O)c3)ccc2O1 2296226395 HUDXMGLAYWAIDP-HJPURHCSSA-N 464.518 2.470 30 10 JEEE O=C1C(=O)N(CCN2CCOCC2)[C@@H](c2ccccc2F)C1=C(O)c1ccc2c(c1)OCCO2 2297744259 BLZSCKMYRSAYJS-QFIPXVFZSA-N 468.481 2.351 30 10 JEEE COc1nc(O[C@@H]2COC[C@@H]2CNC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2339834160 GIKIOTBITOARCW-GOEBONIOSA-N 450.341 2.308 30 10 JEEE Cc1scc(C(=O)N2C[C@H](O)C[C@H]2CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2343500839 WBULSOABNWBTOB-LSDHHAIUSA-N 466.409 2.456 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@](O)(CCN=c2cc(B3OC(C)(C)C(C)(C)O3)c(F)c[nH]2)C1 2345744429 BFZUBCGFFJILDC-JOCHJYFZSA-N 451.348 2.116 30 10 JEEE CCOC(=O)c1ccc(NC(=O)C[C@@H]2S/C(=N/N=C3\CCSC(=S)N3)NC2=O)cc1 39886299 JPINMULWXYQZFA-LBPRGKRZSA-N 465.582 2.104 30 10 JEEE C=CCn1c(SCC(=O)N2CCN(Cc3nnc(CC)o3)CC2)nnc1-c1ccc([N+](=O)[O-])cc1 59792274 JQSKBUJRVSTCKU-UHFFFAOYSA-N 498.569 2.421 30 10 JEEE Cc1nn(C)c(C)c1/C(O)=C1/C(=O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccc(Cl)cc1 102752478 SYDSLSWKFABTCF-LCPUNJGISA-N 458.946 2.444 30 10 JEEE CSCC[C@]1(C(=O)O)N[C@H](c2ccccc2C#N)[C@@H]2C(=O)N(Cc3ccc([N+](=O)[O-])o3)C(=O)[C@@H]21 247551799 WDATVRZSCHKSNA-IDVKNYFZSA-N 484.490 2.082 30 10 JEEE N/C(=N/O)c1ccccc1-n1cnc(I)c1I 302349268 ACAXBDCQTYWPHG-UHFFFAOYSA-N 454.009 2.176 30 10 JEEE CCN1C(=O)[C@H](CC(=O)Nc2ccc(C(C)=O)cc2)S/C1=N\Cc1ccc(S(N)(=O)=O)cc1 726402303 FCMZYRVNNGACRK-COPMAWBXSA-N 488.591 2.385 30 10 JEEE O=C(NCC#CC(=O)N1[C@H](C(=O)O)C[C@H]2OCC[C@H]21)OCC1c2ccccc2-c2ccccc21 757530840 NLJWPUIFMIZQNR-XPWALMASSA-N 460.486 2.372 30 10 JEEE O=C(NCC#CC(=O)N1[C@H]2CCO[C@H]2C[C@@H]1C(=O)O)OCC1c2ccccc2-c2ccccc21 757530843 NLJWPUIFMIZQNR-ZRBLBEILSA-N 460.486 2.372 30 10 JEEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCC[C@@H](C(=O)N[C@@H]4CCC[C@H](O)C4)C3)n[nH]2)c1C 1154356072 PYRPTGLERZTDHO-QRVBRYPASA-N 454.575 2.348 30 10 JEEE N#Cc1cc(F)ccc1N1CCN(C(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)CC1 1225771090 BXBALSURLQSISQ-UHFFFAOYSA-N 451.502 2.202 30 10 JEEE CCN(CC)C(=O)CN1CCCN(C(=O)NCc2cn(C)nc2-c2ccc(C#N)cc2)CC1 1233981182 DDXYLWLNOYCSMH-UHFFFAOYSA-N 451.575 2.044 30 10 JEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(c2ccccn2)CC1 1286340030 SRAFVCPVNJUZPD-UHFFFAOYSA-N 479.610 2.330 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1cccc(C(=O)NCCC)c1)[C@H]1CCS(=O)(=O)C1 1286386655 FKJUWYJXUBPPPZ-QFIPXVFZSA-N 492.605 2.155 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1csc([C@H](C)OC)n1)[C@@H]1CCS(=O)(=O)C1 1286394478 OUUDTQQVHVZCII-QFBILLFUSA-N 486.623 2.103 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1CCCc1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 1286394941 PWBLFHSHQKMCMT-QFIPXVFZSA-N 466.611 2.170 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CC1CCCCC1)[C@H]1CCS(=O)(=O)C1 1286398704 MXMVFLIRAPPESY-UFYCRDLUSA-N 450.605 2.209 30 10 JEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1286415066 GWSGHFUUJSKTRB-JPYJTQIMSA-N 453.568 2.071 30 10 JEEE C#CCN(CC#CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1cnn(C)c1C 1286432443 KJUDMBZACNCQKQ-UHFFFAOYSA-N 470.625 2.196 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(OC)c2)n1CC1(NC(=O)OC(C)(C)C)COC1 1286459151 IHMNBURGQQXHEE-UHFFFAOYSA-N 471.558 2.333 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccccc2Cl)n1CCN/C(O)=C1\N=CC=CC1=O 1286464282 YVHQYZZRQNOMPX-XUTLUUPISA-N 454.918 2.211 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1coc(-c2cccs2)n1 1286466366 GBECVAPJINQECG-HNNXBMFYSA-N 461.569 2.031 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccccc2OC(F)F)CC1 1286494449 UBTCKXUMFBISGB-GOSISDBHSA-N 459.497 2.398 30 10 JEEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1286498771 AJKYEMPUGMDSNJ-HUUCEWRRSA-N 451.574 2.478 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(CC(F)(F)F)CC1 1286554318 HAEBLXMWNSQXPR-RYRKJORJSA-N 456.513 2.285 30 10 JEEE C=CCCCn1c(COc2ccc(C)cc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1286703767 HDDXVBZRQXGCEE-UHFFFAOYSA-N 468.602 2.113 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)C1CCCCC1 1286758852 WPSHZAOOWMPHLT-SIKLNZKXSA-N 467.636 2.121 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]1c1ccccc1OC 1286821080 ZXNIOIHCPWMKJA-MJGOQNOKSA-N 494.639 2.131 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCC(C)(C#N)CC1 1286821794 ATBOKCPMQGSBQE-UHFFFAOYSA-N 453.572 2.247 30 10 JEEE CC(=O)N1CCC(Cn2c([C@@H]3COCCN3C(=O)OC(C)(C)C)nnc2N(C)C[C@H](C)C#N)CC1 1286854969 AWKLUIXIANPEPQ-XLIONFOSSA-N 489.621 2.441 30 10 JEEE Cc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@@](C)(C#N)C2)cc1 1289680340 GASDOBDJBANWAM-KNQAVFIVSA-N 458.588 2.098 30 10 JEEE C[C@@H]1CN(CCCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCO[C@@H](C#N)C2)CCCO1 1291293976 CKNLTSFZJOPPKJ-PLACYPQZSA-N 460.623 2.426 30 10 JEEE CC[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC(=O)N(CCOC)C2)C1 1293498688 GDUFNAZFBVIAMC-AZUAARDMSA-N 452.559 2.460 30 10 JEEE C#CCCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCN(CC(=O)N(C)C)CC1 1300344592 DYYMGCQNDGPLJT-UHFFFAOYSA-N 460.586 2.349 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1Cc1ccc(CN2CCC(O)CC2)cc1)[C@H]1CCS(=O)(=O)C1 1300485081 UDHZZZUFGUPKCH-OFNKIYASSA-N 499.681 2.423 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1C[C@](C)(O)CCOC)[C@@H]1CCS(=O)(=O)C1 1300489041 IGHSAQBUEBXLIW-WIYYLYMNSA-N 466.991 2.013 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@@H]1CCN(CCC)C1)[C@@H]1CCS(=O)(=O)C1 1300504757 RMBWLOFMAXGBLN-WOJBJXKFSA-N 489.617 2.355 30 10 JEEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(N(C)C)Cc2ccccc2C1 1300513597 ZRNAGMVVFNNRJB-HHHXNRCGSA-N 461.610 2.491 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1CCCS(=O)(=O)C1 1300535142 HZHCQZZIKVSDQI-PMACEKPBSA-N 489.642 2.290 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)c1cccc(C)c1 1300578531 LTZBFDNMXGFOAS-RBBKRZOGSA-N 469.611 2.186 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN2CCOC[C@@H]2C1 1300733044 RADTVHIJGXHTQA-FQEVSTJZSA-N 454.600 2.034 30 10 JEEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1300769873 LDERAPVTWRVZKJ-WZONZLPQSA-N 453.568 2.479 30 10 JEEE C#CCSCCn1c(N2CCC(NC(=O)C3CC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1300777751 BWTBCYOGPKVACS-QHCPKHFHSA-N 461.632 2.180 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCSC(C)(C)C1 1301502859 QUIKNSWHLYTOQP-MRXNPFEDSA-N 480.635 2.221 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](CC)c2ccccc2)nnc1N1CCC(C(=O)NC)CC1 1301569165 RMVVDPINFBUVON-FQEVSTJZSA-N 459.616 2.383 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N(CCC#N)CC2CC2)n1C[C@H]1N(C)CCCC1(C)C 1303818477 CEPKZQWYVYGMBL-SJLPKXTDSA-N 451.641 2.139 30 10 JEEE CN(Cc1cccc(C#N)c1)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCS(C)(=O)=O 1314740795 BBTVLKFCCOTRCY-UHFFFAOYSA-N 494.625 2.395 30 10 JEEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(Cl)c(OCC)c(OC)c1 1358949326 YROAUZLBDUOEFL-OAHLLOKOSA-N 452.964 2.359 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1cccc(CN(C)CC)c1)[C@@H]1CCS(=O)(=O)C1 1358961382 XPNPDKKWUBEZEK-JOCHJYFZSA-N 478.622 2.467 30 10 JEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@](C)(O)c1ccc(F)cc1 1358976007 MXSVUWASMAXXBH-XMMPIXPASA-N 480.569 2.358 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC1(O)CCC1 1359023584 OYTGUFLUYOBDHT-UHFFFAOYSA-N 450.543 2.066 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCCS(C)(=O)=O)CC1 1359032136 CPGRRGLXLKNKPZ-UHFFFAOYSA-N 456.399 2.442 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)CC1 1359037420 IZXJEYPNXVAUFR-LJQANCHMSA-N 453.591 2.275 30 10 JEEE C#CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(CNC(C)=O)CC1 1359056004 VGRSHWHQGNDFTR-UHFFFAOYSA-N 465.583 2.313 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)CCCN2C 1359064697 YIXFHFMBEAAWJX-UZUQRXQVSA-N 456.616 2.311 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccccc2F)nnc1N1CCN(CC(=O)N(C)C)CC1 1359101511 OZSTTWLSJVBANU-GBXCKJPGSA-N 470.593 2.199 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCN(Cc2ccccc2)CC1 1359113306 FLDHPSZVXZFDPY-QHCPKHFHSA-N 486.686 2.400 30 10 JEEE C=CCCCn1c(N2CCO[C@@H](CNC(C)=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1359220696 GMLAPHPHNSXPCA-OTWHNJEPSA-N 462.595 2.356 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1359296279 DFJXGFFADBLXSR-CQSZACIVSA-N 466.464 2.049 30 10 JEEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(Cc2cccc(C)c2)CC1 1359304290 UAABFXRQLUPHRC-UHFFFAOYSA-N 493.637 2.202 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2cccc(C)c2)CC1 1359331764 HSBYYHCSVQXGAA-HXUWFJFHSA-N 459.616 2.408 30 10 JEEE C=CCSCCn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1359338926 MJPOAEPMUOXRBW-GOSISDBHSA-N 481.644 2.397 30 10 JEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCCNS(=O)(=O)c1ccccc1Cl 1467510685 JSYVFKKWQNZCRM-INIZCTEOSA-N 457.980 2.431 30 10 JEEE C=CCCO[C@H](C)C(=O)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1469000956 BIONCANDGVUCRP-NEWSRXKRSA-N 450.580 2.362 30 10 JEEE COc1ccccc1Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@H](C)OC 1504409158 DCKKHHYDSMCMDE-MSOLQXFVSA-N 462.558 2.289 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1C[C@H]1CCCN1c1cc(NC)ncn1 1507514570 OKKWDVUOFQLHOM-FUHWJXTLSA-N 453.595 2.155 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1Cc1oc(CC)nc1C)[C@@H]1CCS(=O)(=O)C1 1507626765 HDTKERAPLOOMQP-GOSISDBHSA-N 499.593 2.496 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H](C(CC)CC)N(C)C)[C@@H]1CCS(=O)(=O)C1 1507632542 NABXFQNADKTPDW-NJYVYQBISA-N 465.664 2.165 30 10 JEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1CC(C)(C)C(=O)NCC)[C@@H]1CCS(=O)(=O)C1 1507633563 HFXXNHPBAVXFGD-LJQANCHMSA-N 492.045 2.311 30 10 JEEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCO[C@H]1c1ccccc1 1507641574 AYSCBIKXMQUNBU-TYPHKJRUSA-N 455.584 2.129 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC(C)(C)N2CCOCC2)CC1 1507717725 GUJOVCPVQZWQFY-UHFFFAOYSA-N 474.556 2.413 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCc2cnn(C)c2)CC1 1507734195 IDTFPYZHCJPYKA-UHFFFAOYSA-N 476.541 2.185 30 10 JEEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1507774321 BCRIMHFCJVVRGX-UHFFFAOYSA-N 471.363 2.016 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCOC2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1507796952 JZFGNJKHJULIIE-ADAARDCZSA-N 461.607 2.131 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1507808204 XWEZXQYUYFEXBG-HQRMLTQVSA-N 480.660 2.133 30 10 JEEE C=C(Cl)Cn1c([C@@H](C)OCCOC)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1507856861 FSZGPLNRYLJQLI-CVEARBPZSA-N 451.959 2.152 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Br)cc2)nnc1N1CC[C@@H](OC)C1 1508090287 GNTCXUFNPCKYBQ-MRXNPFEDSA-N 450.337 2.147 30 10 JEEE C=CCOc1ccc(Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCN(C)C(=O)[C@@H]2C)cc1 1508106722 WCJMXDGZIDAPDJ-CUWPLCDZSA-N 455.559 2.282 30 10 JEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(c2nc(C)no2)CC1 1508161363 LEGAZNWJQJBNBV-INIZCTEOSA-N 452.606 2.175 30 10 JEEE C[C@@](O)(Cn1c(-c2cccc(C#N)c2)nnc1N1CCCN(S(C)(=O)=O)CC1)c1ccsc1 1510233623 HMXBZQBNIPBOSM-JOCHJYFZSA-N 486.623 2.258 30 10 JEEE CC[C@H](C)NC(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1513178138 BYORBOYVUWFMIR-BJLQDIEVSA-N 481.605 2.201 30 10 JEEE CN(C)S(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCc2sccc2C1 1517028776 GNDLEHVKFBNWBJ-UHFFFAOYSA-N 472.596 2.244 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCOCc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1539221577 QCCBQKLHWOYRAQ-RTWAWAEBSA-N 488.610 2.024 30 10 JEEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2Cc2ccc(OCCN(C)C)cc2)CC1 1539453348 IIJVXYDJWDJTRN-UHFFFAOYSA-N 459.598 2.008 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCOC[C@@H]2CCCO2)CC1 1539469533 BKTGOHGVTVOJOR-QHCPKHFHSA-N 476.581 2.368 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCO[C@H]2CCCC[C@H]2C)CC1 1539469642 SVCVDLUMIYIOAD-QTISVLPJSA-N 487.645 2.491 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CCCN(CC(C)C)C2)CC1 1539488937 OZYYAELFUUPQON-QHCPKHFHSA-N 494.688 2.474 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(COCC)cc1 1539557481 VEVLOEKCLSAMOJ-ZJSXRUAMSA-N 487.626 2.188 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)C[C@@H](C)C(=O)NC 1539627093 HXRIVDAMAQWBQC-AOIWGVFYSA-N 489.646 2.038 30 10 JEEE C=C(Cl)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2cc(OC)cc(OC)c2)CC1 1539798047 AVZKNOFTZRGPQK-LJQANCHMSA-N 460.966 2.321 30 10 JEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2nccs2)C1 1539966006 DBXZOQLCLSCXKV-DLBZAZTESA-N 482.632 2.002 30 10 JEEE C=CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 1540856173 XRUYVPMPKHGKRF-MAUKXSAKSA-N 451.535 2.456 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1540866467 OBGDLOKVWUJAPH-QGZVFWFLSA-N 473.921 2.179 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1540874284 APUIIUCVJPVCAF-LJQANCHMSA-N 470.574 2.491 30 10 JEEE C=CCNC(=O)Cn1c(N2C[C@H](c3ccc(F)cc3)O[C@H](C)C2)nnc1[C@@]1(OCC)CCOC1 1540876530 UVEPQQYYTVGUHO-WSCWJOSJSA-N 473.549 2.338 30 10 JEEE C=CCOc1ccc(Cn2c(N3CCNC(=O)[C@H]3CC)nnc2[C@@]2(OCC)CCOC2)cc1 1540878719 GBLLYTSHVBYFEP-HYBUGGRVSA-N 455.559 2.258 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CC(F)(F)C2(OC)CCOCC2)C1 1540881961 YDEPRIIWYOFRJV-INIZCTEOSA-N 457.522 2.029 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N(C)Cc1nc(C(F)(F)F)cs1 1540897750 RFAOYECWOKLFEX-UHFFFAOYSA-N 480.538 2.129 30 10 JEEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1548314355 CCDBAUWQFSDRCS-XJKSGUPXSA-N 457.478 2.407 30 10 JEEE COCCN1C[C@@H](Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N(C)[C@H](C)CC#N)CC1=O 1555571451 FDNWRAQMRVTJFM-MOPGFXCFSA-N 467.574 2.381 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCNC(=O)Cc1cccc(F)c1 1587614465 IWWOUTQFNRTZAC-QGZVFWFLSA-N 497.600 2.194 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC1(c2ccc(OC)cc2)CCC1)[C@H]1CCS(=O)(=O)C1 1588025131 STFUDMAQHLSIDX-FQEVSTJZSA-N 499.637 2.174 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1ccc(OC)cc1F)[C@H]1CCS(=O)(=O)C1 1588049253 CYKXHSLULYRTJI-SFHVURJKSA-N 469.542 2.471 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1c(CC)noc1C 1588628057 DGWAEBNMYWWPRS-UHFFFAOYSA-N 461.526 2.185 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)cc1C(F)(F)F 1588647891 ZLSFLEWTJBRPDT-INIZCTEOSA-N 486.516 2.342 30 10 JEEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2Cc2ccc(C)cc2OCCOC)CC1 1588848265 BUCSNHOBBRKNSV-UHFFFAOYSA-N 460.582 2.401 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@@H]2COCCO2)CC1 1588892203 ZEOIHRXGXRQBSD-RBBKRZOGSA-N 481.597 2.416 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2CCC(=O)NC(C)(C)C)CC1 1588954799 LYCGVQYYYFBOOQ-UHFFFAOYSA-N 456.616 2.201 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)N(C)Cc1ccccc1 1589151311 WZGYOYLJWYBJAK-YCRNBWNJSA-N 458.632 2.401 30 10 JEEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCC(C(=O)NCCOC)CC1 1589405217 PIOQEJKOULGAMO-INIZCTEOSA-N 456.385 2.060 30 10 JEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC([C@H]2C(=O)Nc3ccccc32)CC1 1632084098 BWMOCKOOCMTXKA-YCRPNKLZSA-N 452.536 2.200 30 10 JEEE C#CCN(C(=O)[C@@H](CO)NC(=O)OCc1ccccc1)C1CCN(C(=O)OC(C)(C)C)CC1 1638330749 CSZFZIPJZQLVRN-HXUWFJFHSA-N 459.543 2.135 30 10 JEEE Cc1c(C#N)c(NC(=O)CN2CC[S@](=O)C[C@@H]2c2cnn(C)c2)n(-c2ccccc2)c1C 1645495463 BBCCZRJCJICZIW-KTBRYMIGSA-N 450.568 2.443 30 10 JEEE N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)Cc3ccc(F)cc3Cl)CC2)cc1 1660628771 FKDFZIAZJAAAQA-UHFFFAOYSA-N 457.936 2.187 30 10 JEEE C=CCC[C@@H](NS(=O)(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1)C(=O)OCC 1663384492 HNLQYUMCNPOXBD-LJQANCHMSA-N 458.602 2.428 30 10 JEEE C=CCCOCCNC(=O)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 1681188952 GKQMHWYFIRJJNT-UHFFFAOYSA-N 452.396 2.119 30 10 JEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@]2(CCc3ccccc32)C1 1689876501 BIQXJWORPHMCAL-MBSDFSHPSA-N 457.600 2.370 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@H](C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 1689992353 JWGSDLQSVDTGLF-IRLDBZIGSA-N 485.654 2.236 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1ccc(C(C)(C)O)cc1)[C@@H]1CCS(=O)(=O)C1 1689992865 QFGCPTMEDSWVGK-JOCHJYFZSA-N 479.606 2.166 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1690096247 QEGRMHMRHFWTJV-VXKWHMMOSA-N 482.610 2.107 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@@H](C)N(C)C)CC1 1690137293 SXIJFOQRHIUVLN-QZTJIDSGSA-N 456.566 2.473 30 10 JEEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N(C)CC(C)(C)CN1CCOCC1 1690170395 HMXJBJOPDDSWBV-UHFFFAOYSA-N 474.631 2.167 30 10 JEEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1690451888 SHVAQGKFQXDLJA-XFQAVAEZSA-N 468.624 2.348 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCC[C@H]1C 1690577766 MGDOJLRIURYSMW-QUCCMNQESA-N 494.687 2.349 30 10 JEEE C=CCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1690640813 HRINORHJROEQFD-LJQANCHMSA-N 492.628 2.288 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1690665472 FODZJLONUKGAHV-HNNXBMFYSA-N 480.491 2.091 30 10 JEEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1690669160 WDSWLCFKYXAYHT-QGZVFWFLSA-N 489.646 2.324 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N(C)C1CCN(Cc2ccccc2)CC1 1690723913 CZSYPSPHBMDCRT-OAQYLSRUSA-N 473.643 2.484 30 10 JEEE C=CCSCCn1c(Cc2cccnc2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1690748830 IOXWKNAJOYIUSI-HXUWFJFHSA-N 469.659 2.316 30 10 JEEE Cc1cc(C)n(Cc2nnc(N(C)C[C@@H](C)C#N)n2Cc2ccc(N3CCO[C@@H](C)C3)nc2)n1 1693415938 HNQJUGIBVZXEDW-PXNSSMCTSA-N 463.590 2.404 30 10 JEEE CCS[C@H]1CCCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1696548509 DNOONDRJQYEDOL-SIKLNZKXSA-N 475.640 2.478 30 10 JEEE COc1ccc(CCc2nnc(N3CC[C@](F)(C#N)C3)n2CC2(CS(C)(=O)=O)CC2)cc1 1697402858 HIMHDFFQKUIXHZ-QFIPXVFZSA-N 461.563 2.339 30 10 JEEE COC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1)OC 1697756752 GMYYIPYISPALBT-VQTJNVASSA-N 486.573 2.208 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCO[C@H]2C(=C)C)c1 1705506595 BXYKMJDGUOXKQZ-VIZSFHNOSA-N 497.621 2.218 30 10 JEEE C#CCN(c1nnc(C2CC2)n1CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1 1705567568 YWDJICLKDFJHDD-HKUYNNGSSA-N 477.631 2.429 30 10 JEEE C#CCN(c1nnc(CCOc2ccccc2)n1C[C@@H]1CCC[C@@H]1OC)[C@H]1CCS(=O)(=O)C1 1705568268 KANLIKXECVZDPB-ONTIZHBOSA-N 472.611 2.341 30 10 JEEE C#CCN(c1nnc(CC)n1Cc1ccc(NC(=O)c2ccco2)cc1)[C@@H]1CCS(=O)(=O)C1 1705570782 QUFMUQNRGSCBTQ-LJQANCHMSA-N 467.551 2.361 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(C)o2)n1Cc1ccccc1S(=O)(=O)N(C)C 1705624103 QIUGMVVREVQZRF-UHFFFAOYSA-N 457.556 2.231 30 10 JEEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC1 1705641844 WDEYJNSTWXMRQZ-OAQYLSRUSA-N 476.547 2.082 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CC=CCO2)CC1 1705646575 IGTRLUNCXRXQOD-FQEVSTJZSA-N 450.499 2.164 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2Cc2cnccc2OC)CC1 1705650371 QKPISJZHTAASKA-UHFFFAOYSA-N 474.565 2.295 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(C)n3)n2CCNS(=O)(=O)c2ccccc2)C1 1705921883 AXQBEIKMLPZUAT-IBGZPJMESA-N 468.583 2.408 30 10 JEEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)COCC)C1 1710345083 BBMOMCUMQOICOA-IBGZPJMESA-N 460.604 2.397 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1CCCN(C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1722360421 HGFBCULJZCSNMX-NRFANRHFSA-N 466.611 2.437 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1Cc1ccc(N(C)C)nc1)[C@H]1CCS(=O)(=O)C1 1722369524 AKVKXMBLZYSKSK-IBGZPJMESA-N 498.584 2.132 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@@H](CC)OC)[C@@H]1CCS(=O)(=O)C1 1722369561 AYNUHOSLQCJNNH-IAGOWNOFSA-N 450.536 2.048 30 10 JEEE C#CCN(CC#C)c1nnc(COc2cc(C)ccc2C(C)C)n1CCN1CCCS1(=O)=O 1722386687 HIXQGGVVGUYYCR-UHFFFAOYSA-N 469.611 2.397 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(OCC)cc3)n2C[C@H]2NC(=O)CC2(C)C)CC1 1722430338 AZGMAHSGLPVMED-DENIHFKCSA-N 480.613 2.487 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2CCNC(=O)c2cccs2)CC1 1722435811 UHOHFHIOELZIGZ-UHFFFAOYSA-N 450.568 2.200 30 10 JEEE C=C(Cl)Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1722547694 LXAHLRLALZRDDK-SFHVURJKSA-N 472.977 2.270 30 10 JEEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC(N2CCCNC2=O)CC1 1722682135 NITLIQORNCSJCJ-UHFFFAOYSA-N 457.966 2.432 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC(NC(=O)c2ccccc2C)CC1 1722727484 IWVHAFPKDWVAOE-LJQANCHMSA-N 487.626 2.090 30 10 JEEE CO[C@@H](Cn1c(Cc2cccnc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C)C(C)C 1729892413 FMOANCMFOLPRNZ-RXVVDRJESA-N 461.574 2.312 30 10 JEEE C#CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC(OCC(N)=O)CC1 1740565375 TXNBGIWKEYRYCJ-UHFFFAOYSA-N 452.559 2.421 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)N1CCN(c2ccccc2)CC1 1740644381 DGEMZGFMVOKHKM-HSZRJFAPSA-N 473.625 2.188 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(F)ccc3Br)n2CCOCCCO)CC1 1740698779 VXRNMEHLXGGQJO-UHFFFAOYSA-N 466.355 2.001 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3CC)n2CCN2CCOC(C)(C)C2)CC1 1740700084 FDLQICJOGIPFEB-UHFFFAOYSA-N 466.630 2.286 30 10 JEEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](CNC(C)=O)C1 1740712132 XXRRNVCWOMRHPB-GOSISDBHSA-N 475.640 2.068 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1NC(=O)CC1(C)C 1740731402 AYGJZATYYYDQSW-DPOKWSEZSA-N 486.617 2.493 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1nncn1CC 1740731771 HHNDWAOGZGRLCF-UZUQRXQVSA-N 470.578 2.238 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H](OC)C(CC)CC 1740732352 ZYWCUYZVQUIDGE-TXTKFYIRSA-N 481.663 2.444 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(OCC(N)=O)CC1 1740752951 CYEXTIQXPHNQGK-LAUBAEHRSA-N 470.530 2.305 30 10 JEEE C=C1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCNC(=O)c2cc[nH]n2)CC1 1740829625 DACRZXWWWADZRZ-CALCHBBNSA-N 470.578 2.358 30 10 JEEE C=CC[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCN(S(C)(=O)=O)CC1)c1ccccc1 1740853330 BBUJUPQLBXCVAK-IBGZPJMESA-N 455.588 2.120 30 10 JEEE C=CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2CCOC[C@@H]2C1 1740877099 REJVQWKGLVBRCK-RBUKOAKNSA-N 462.595 2.074 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN(C(C)=O)C1 1740937551 JAZXNOZSPNKEDO-WOJBJXKFSA-N 475.615 2.267 30 10 JEEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1740963539 NYZUPJQVKLSAOP-HXUWFJFHSA-N 476.585 2.363 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N(CC)Cc1cnn(C)c1 1740988676 MQNOYBVUHQLNKX-UHFFFAOYSA-N 472.571 2.077 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCCN(C(=O)c2ccccc2)CC1 1740991584 ZYELLEIQVNGAJP-OAQYLSRUSA-N 487.626 2.473 30 10 JEEE C=CCSCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1741004610 GNBLZSKRMQQOFW-INIZCTEOSA-N 493.058 2.290 30 10 JEEE CC(C)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](S(C)(=O)=O)C1)N1CCOCC1 1741310926 DPVGNPCTCKNZGU-VXKWHMMOSA-N 486.642 2.187 30 10 JEEE CCc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CCN1CCN(C)C(C)(C)C1 1744688779 DEZWQLRXTAYTHG-UHFFFAOYSA-N 454.598 2.204 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCS(=O)(=O)Cc1ccccc1 1748641608 IREQINMEGPVYJE-CVDCTZTESA-N 460.600 2.392 30 10 JEEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Cl)cc2)n1CCS(=O)(=O)N1CCSCC1 1748686776 WQIQVYUNAOURFJ-INIZCTEOSA-N 484.047 2.347 30 10 JEEE C#CCCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1748719407 XDRIDWXNBDBIBL-QFIPXVFZSA-N 466.586 2.241 30 10 JEEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1Cc1c(F)cccc1Cl)[C@H]1CCS(=O)(=O)C1 1748805454 SBKLHEWFHKDXRB-KSFYIVLOSA-N 496.992 2.398 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@](C)(O)CCC)[C@H]1CCS(=O)(=O)C1 1748808387 KRKGNGSJEIGPFZ-MBSDFSHPSA-N 476.599 2.140 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1748814846 KBGSZEFDPGJKKY-MHTWAQMVSA-N 493.674 2.034 30 10 JEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ccc(C[S@@](C)=O)cc1 1748847927 YNIDQPDTLLSRLA-PGUFJCEWSA-N 487.633 2.452 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@H](C)N1CCOCC1 1748887071 RPJZGYSLXYYDKS-NRFANRHFSA-N 487.608 2.249 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCCN2CCOCC2)CC1 1749005266 UJWXSLMIKXXFMI-FQEVSTJZSA-N 498.603 2.245 30 10 JEEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1749234170 BQHQCWWUZBCKDK-LJQANCHMSA-N 450.609 2.136 30 10 JEEE C=C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccccc2S(=O)(=O)N(C)C)CC1 1749292551 RZDDHDGDAWEDQB-HSZRJFAPSA-N 475.615 2.385 30 10 JEEE C=CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCN1CCN(C)C(C)(C)C1 1749595044 YYRYEBGTBQDOMI-UHFFFAOYSA-N 470.618 2.381 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1749678117 WPPINQUKYNAEQZ-IBGZPJMESA-N 467.530 2.045 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)[C@@H]1CCCN(c2ccccc2)C1 1749683027 HDSFZXGEUVMILY-WPYKKVEZSA-N 468.602 2.410 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCNC(=O)OC(C)(C)C)C1 1749699064 YZMRYXMEIVDVNP-JTSKRJEESA-N 451.568 2.236 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCCn1cc(CO)nn1 1760112951 OEQYZWZSCTWFSV-KRWDZBQOSA-N 472.594 2.025 30 10 JEEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](CC)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1760186355 MMGQGIFHZZEGPM-CEWLAPEOSA-N 490.651 2.001 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@H](c1ccccc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1760191605 KNFVNDSBMIRWTK-XZOQPEGZSA-N 495.653 2.069 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H](C)CN1CCN(CC)CC1 1760232477 GSKOOAQBLLFNEL-OAQYLSRUSA-N 490.656 2.408 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@H]2CCN(CC)C2)CC1 1760254879 NZTXBHCJKYOLSP-IBGZPJMESA-N 468.602 2.068 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccc(C(C)(C)O)cc2)CC1 1760265739 IDAPNNGPHVHIMJ-HHHXNRCGSA-N 495.624 2.172 30 10 JEEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC2(CCC2)C[C@H]1CC 1760358253 SXPOIFZNWULWFF-RTBURBONSA-N 467.636 2.363 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCNC(=O)c2occc2C)CC1 1760402553 NCWSAMYRLUTVHO-SFHVURJKSA-N 461.588 2.304 30 10 JEEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@@H](C)c2nc(CC)no2)CC1 1760427556 DBVXRWWIVROEQI-ROUUACIJSA-N 477.635 2.365 30 10 JEEE C=CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCCN1CCOCC1 1760460665 BIQVHNJVPAWLGX-UHFFFAOYSA-N 451.575 2.410 30 10 JEEE C=CCn1c(CCc2ccc(OC)cc2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1760512214 NYNKCMHHMJKSGF-WMZHIEFXSA-N 452.603 2.247 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CCS(=O)(=O)N(C)C)C1 1760539347 ZZKPLNQVIRKZRQ-GOSISDBHSA-N 471.587 2.008 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1760551661 NVAFGSQDOMSRNU-OAQYLSRUSA-N 450.561 2.222 30 10 JEEE CC(=O)N[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCn2ccnc2C)C1 1760643919 HFQOZJMPNTVIAZ-OAQYLSRUSA-N 462.558 2.429 30 10 JEEE CC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1)OC 1762343149 BVQPIMAJFNUBSQ-UTKZUKDTSA-N 451.575 2.031 30 10 JEEE CN(Cc1ncnn1CC(F)F)c1nnc(-c2cccc(C#N)c2)n1CCNC(=O)c1ccco1 1768736535 BHMUOUVKYMGPSU-UHFFFAOYSA-N 481.467 2.333 30 10 JEEE COc1ccccc1OCc1nnc(N2CCC[C@@](C)(C#N)C2)n1CCS(=O)(=O)NC(C)C 1770511529 FSJRJLJCHRVUDM-QFIPXVFZSA-N 476.603 2.324 30 10 JEEE COCCN(CCOC)Cc1cc(=O)c(OCc2ccc(C#N)cc2)cn1CCc1cnc[nH]1 1870349677 YKVCJOKXVYMHDF-UHFFFAOYSA-N 465.554 2.360 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)N(C)CCCC)cn1CCCN1CCOCC1 1870512449 BLOQZPHIRQLCQO-UHFFFAOYSA-N 474.646 2.382 30 10 JEEE C#CCOc1cn(CCCCN(CC)CC)c(CNc2ccc(S(N)(=O)=O)cc2)cc1=O 1871006094 OZBAYSJEDILTEG-UHFFFAOYSA-N 460.600 2.242 30 10 JEEE CC(C)N1C(=O)CS[C@H](C(=O)NCCN=c2ccc(-n3cccc3)n[nH]2)[C@H]1c1ccc(C#N)cc1 1891448796 NEGIITRCFYKQMT-RPWUZVMVSA-N 489.605 2.183 30 10 JEEE N#Cc1nccnc1OCC1CCN(C(=O)c2nc3nccnc3cc2Br)CC1 1891503267 GOGAPKITFCKMOS-UHFFFAOYSA-N 454.288 2.380 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)N[C@@H](C(=O)O)C(C)(C)S 2019071436 MSHBBWVNJRQXFR-HOCLYGCPSA-N 454.545 2.291 30 10 JEEE O=C(O)CN1C(=O)C(=C2SC(=S)N(N=Cc3cc([N+](=O)[O-])ccc3O)C2=O)c2ccccc21 2053496725 IRLQCQHMGXKKFO-UHFFFAOYSA-N 484.471 2.337 30 10 JEEE CC(C)(C)OC(=O)NC1CC(O)(CNC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)C1 2060140458 JEQWVPQBZHJRKS-JXORXQGFSA-N 454.568 2.498 30 10 JEEE C=C1C[C@@H]2[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3[C@@H](O)C[C@@]2(C)[C@]2(C(=O)OC)C(=O)[C@](C)(O)C(=O)[C@@]12C 2112709504 GPBILLRAZPFRLM-OUTLWCNUSA-N 460.567 2.414 30 10 JEEE CC(C)(C)OC(=O)NC(C)(C)[C@@H](O)C(=O)NCCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2180969690 GZATXPFHKJENSJ-SFHVURJKSA-N 462.396 2.309 30 10 JEEE C[C@H](CNC(=O)OC(C)(C)C)CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2247951281 HOWFQJMOKYEDBB-CYBMUJFWSA-N 460.427 2.486 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](O)CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2255611489 UPLSYDNLHZXFCC-HUUCEWRRSA-N 452.382 2.147 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](O)CN1C(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2255810504 KQDCYPKTNZIVPC-KGLIPLIRSA-N 452.382 2.147 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](NC(=O)c3cscc3B3OC(C)(C)C(C)(C)O3)CO[C@H]2C1 2266997019 KMCYRSRLGOISIY-JQFCIGGWSA-N 464.393 2.411 30 10 JEEE CO[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)N(C(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267011044 ZQQJCLMIRIKEOZ-HZPDHXFCSA-N 450.341 2.333 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2Cl)C1 2267014259 WMRCHXFEVFYCCS-IRXDYDNUSA-N 466.771 2.349 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1CC[S@@](=O)(=NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2267292335 BISGNDZIOFJXMO-ZZQWGBOMSA-N 467.397 2.467 30 10 JEEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2267474355 SSBYAGLQMKVHKG-ZIAGYGMSSA-N 487.453 2.117 30 10 JEEE C[C@H]1C[C@@H](NS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)CN1C(=O)OC(C)(C)C 2267707467 RENVGHNYZCUIQI-UONOGXRCSA-N 487.453 2.260 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2C(NS(=O)(=O)c3cccc(B4OC(C)(C)C(C)(C)O4)c3)[C@H]2C1 2267721568 QFYVPLVTRDSQSV-IRXDYDNUSA-N 464.393 2.129 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H](O)CNC(=O)c1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1Cl 2267803070 ZYUAIDZIUJOTGA-LBPRGKRZSA-N 472.750 2.394 30 10 JEEE CC(C)(C)OC(=O)Nc1cnn(CC(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)c1 2268629442 WMZODPYCJHOVAE-UHFFFAOYSA-N 463.369 2.302 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)sc1CNC(=O)CN(C)CCNC(=O)OC(C)(C)C 2268724211 JDFMORXCKBCSHU-UHFFFAOYSA-N 467.441 2.428 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](CC(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C2(CC2)C1 2274037874 VRZOYZJWVMAAFD-CYBMUJFWSA-N 464.397 2.235 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2C[C@@H]3C[C@H](C2)[C@@H](CO)[C@H]3NC(=O)OC(C)(C)C)C1 2281229029 UJLFFAHPXCLTCN-YFIDNKEVSA-N 477.602 2.273 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2F)C[C@@H](O)C1 2281782160 SCOBRYOFEGINHD-OAHLLOKOSA-N 464.343 2.179 30 10 JEEE C[C@H](NC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 2281811870 KLOJFXXLMKNSRA-JKSUJKDBSA-N 462.400 2.485 30 10 JEEE CN1CCC(CNC(=O)OC(C)(C)C)(NC(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)CC1 2281819028 JBNUAAHMJMKYOT-UHFFFAOYSA-N 463.384 2.298 30 10 JEEE Cc1nn(C)c(C(=O)N2CCN(C(=O)OC(C)(C)C)CC[C@H]2C)c1B1OC(C)(C)C(C)(C)O1 2281987743 CKRVQPPNDDYUKD-OAHLLOKOSA-N 462.400 2.499 30 10 JEEE C[C@@H]1CN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)CC[C@H]1NC(=O)C(F)(F)F 2282052069 YHBMQWYECNEMBK-BXUZGUMPSA-N 459.249 2.049 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@H]2CCN(C(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)o3)C[C@@H]21 2282200119 JZVGIMUXSYZPDS-HOTGVXAUSA-N 462.352 2.429 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@H](CNC(=O)c2cccc(F)c2B2OC(C)(C)C(C)(C)O2)C1 2282397781 RPQPUXZSJKCIBR-HNNXBMFYSA-N 464.343 2.491 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2CCO[C@]2(CNC(=O)c2occc2B2OC(C)(C)C(C)(C)O2)C1 2282555076 NLBBYMVZFRIQGR-IQMFZBJNSA-N 462.352 2.335 30 10 JEEE CCc1nn(C)c(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C)c1B1OC(C)(C)C(C)(C)O1 2282558133 FWDMRTQWGSWCJV-HOCLYGCPSA-N 462.400 2.409 30 10 JEEE Cc1cc(C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](CO)C2)oc1B1OC(C)(C)C(C)(C)O1 2282585172 ISKARRXYXVUWOJ-HZPDHXFCSA-N 464.368 2.235 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC2(CCN(C(=O)OC(C)(C)C)C2)C1 2282587404 MCDQADHPJYRUNT-UHFFFAOYSA-N 460.384 2.111 30 10 JEEE CN(CCN1CCN(C(=O)OC(C)(C)C)CC1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2282603072 AWPWHZFYEBKIAR-UHFFFAOYSA-N 480.440 2.067 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)OCC12CC2 2282603900 MOGLIJGABRPUHC-AWEZNQCLSA-N 479.408 2.341 30 10 JEEE C[C@@H]1C[C@@H](CNC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2282648958 UVROTKRFTCWKEI-CVEARBPZSA-N 460.384 2.399 30 10 JEEE COCC1(NC(=O)c2ncc(C)cc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2282650492 NKVREDBQUPEYRG-UHFFFAOYSA-N 461.368 2.055 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(C(=O)N[C@]2(CO)CCN(C(=O)OC(C)(C)C)C2)c1 2282683371 CFNNXMUZFVSQAK-XMMPIXPASA-N 460.380 2.396 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2CC3(CC(OCc4ccccc4)C3)C2)n1 2282839101 YWKONXYBVQQTMO-UHFFFAOYSA-N 473.404 2.089 30 10 JEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2283926575 PVWWZZSNMMDVKN-HZPDHXFCSA-N 481.424 2.331 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](CC(=O)N=c2ccc(Cl)c(B3OC(C)(C)C(C)(C)O3)[nH]2)C1 2283930879 BBWUHIYLWXESOH-UKRRQHHQSA-N 481.786 2.013 30 10 JEEE O=C1C(=O)N(CCN2CCOCC2)[C@H](c2ccc([N+](=O)[O-])cc2)C1=C(O)c1ccc(F)cc1 2296091368 MBBBKEDCRNFLEG-HXUWFJFHSA-N 455.442 2.488 30 10 JEEE COC(=O)c1[nH]c(C)c(C(O)=C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccc(F)c2)c1C 2296927818 BUBMPIQAIOWBLO-OAQYLSRUSA-N 485.512 2.311 30 10 JEEE COc1ccc(N2C[C@H](c3nnc(SCCO)n3N=Cc3ccc(OC)c(O)c3)CC2=O)cc1 2325882529 ZYLXLRGWFPITNO-MRXNPFEDSA-N 483.550 2.488 30 10 JEEE CC(=O)NCc1nnc(SCc2nc(O)c3ccccc3n2)n1N=Cc1ccc(C(=O)O)cc1 2330777879 BWHBIESXVVCLBT-UHFFFAOYSA-N 477.506 2.436 30 10 JEEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@@H](CCO)COCc3ccccc3)cc2)OC1(C)C 2343588494 MQHHYBKFJYCIBX-FQEVSTJZSA-N 461.389 2.232 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H]3CC[C@@H]32)n1C 2362333246 RPSQCYYIQVTDMX-HOTGVXAUSA-N 460.384 2.252 30 10 JEEE CN(C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2362354882 WXWKOGCAFOTLLP-INIZCTEOSA-N 462.400 2.438 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(CCNC(=O)OC(C)(C)C)CC2CC2)n1C 2362482260 CTVMLZOMPREAHA-UHFFFAOYSA-N 462.400 2.405 30 10 JEEE O=C(NCC#Cc1ccc(N2CCNC2=O)cc1)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 96350943 UEOJLCAWZWJRTB-QGZVFWFLSA-N 481.350 2.500 30 10 JEEE CCN1CCN(c2c(/C=C3/SC(=S)N(C[C@@H]4CCCO4)C3=O)c(C)c(C#N)c(=O)n2C)CC1 97475149 NKVDEUXWGMDXJC-QUYZQLMHSA-N 487.651 2.088 30 10 JEEE COC(=O)c1[nH]c(C)c(/C(O)=C2/C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc([N+](=O)[O-])cc2)c1C 103225883 ZMXGVFFHFBSXIM-QGBVPWCLSA-N 470.482 2.310 30 10 JEEE 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[N+](C)(C)C 253529596 VNLJJMSFFPPDPE-DYQOPPFFSA-N 462.607 2.039 30 10 JEEE C=CCN(C(=O)c1cccc(CN2CCS(=O)(=O)CC2)c1)c1nc(C(=O)OCC)cs1 510431596 XDHZJNHDJCWFMA-UHFFFAOYSA-N 463.581 2.383 30 10 JEEE COc1c(Cl)cc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1Cl 523632410 MJWGHXDTUVUGIO-UHFFFAOYSA-N 497.360 2.345 30 10 JEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C)c2cc(F)ccc2N2CCC(O)CC2)c1 1137125833 PXSOWMRSQQAFQZ-INIZCTEOSA-N 459.543 2.189 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)NC[C@H]2CC(c3ccc4c(c3)CCO4)=NO2)ccc1F 1155558844 RISJZWUXOILGHG-QGZVFWFLSA-N 459.499 2.148 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1Cc1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1286385570 XVXIDQJCUXSDMF-SFHVURJKSA-N 455.540 2.234 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1CCc1c(C)cccc1C)[C@@H]1CCS(=O)(=O)C1 1286389897 SITTXJJGQQPLSI-LJQANCHMSA-N 450.568 2.221 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H](C)N(C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1286398350 JGFUAJZGBFMNKG-HLAWJBBLSA-N 457.600 2.281 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1286404211 QTYVJZMBHMVFSM-SIKLNZKXSA-N 497.621 2.239 30 10 JEEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1CC1(N2CCCC2)CCOCC1 1286423874 XVHSVPUXNBYVIP-VWLOTQADSA-N 455.603 2.038 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H](C)CN2CCCCC2)CC1 1286488835 VPPADVINQLTIPF-LVXARBLLSA-N 486.661 2.018 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](C(C)C)N1CCOCC1 1286514173 AQBLVJDAXSTOLS-YADARESESA-N 451.575 2.274 30 10 JEEE C=C(Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1)c1ccccc1 1286619434 RSVRJTAUXDLXJW-HJNYFJLDSA-N 489.642 2.481 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](Cc2ccccc2)OC)C1 1286809423 IZARTHZNTMTIBO-HBMCJLEFSA-N 460.600 2.219 30 10 JEEE CC(C)(C)OC(=O)N1CCC(c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H]2COCCO2)CC1 1287049866 AOYBMEPMFFYWBU-JTSKRJEESA-N 464.542 2.250 30 10 JEEE C[C@](O)(Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1)c1cccs1 1288895780 FYIKBVKAYGZCFE-QFIPXVFZSA-N 486.623 2.304 30 10 JEEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CC2)C[C@H](C(F)(F)F)O1 1291278935 DZDDHQZYOLKQPL-RHSMWYFYSA-N 499.515 2.462 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCc1ccc(OC)cc1OC 1292133262 HLDRKQCBYSCLMS-IBGZPJMESA-N 456.547 2.185 30 10 JEEE C=C(C)CCNC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 1298203061 ANNXSVIPZKRKPC-CQSZACIVSA-N 455.886 2.354 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H](c1ccc(C)o1)N1CCOCC1 1300329717 RYJLPKKOHPHFNZ-KMQSCTNJSA-N 457.575 2.435 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@H](C)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1300489164 JSOQDTMOCQFTHS-WMZOPIPTSA-N 465.023 2.351 30 10 JEEE C#CCN(c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H](OC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1300493160 RQHRBESKJGXPII-YADHBBJMSA-N 482.610 2.429 30 10 JEEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1C[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1300504699 QSXXGJVFTYBFKB-WMZOPIPTSA-N 464.975 2.174 30 10 JEEE COc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1C[C@]1(N(C)C)CCSC1 1300658084 AOOIGWYAAOGNBN-VGOFRKELSA-N 458.588 2.032 30 10 JEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N(C)C1CCN(C(=O)c2ccccc2)CC1 1300756199 IHKNZXVORWLJCK-HXUWFJFHSA-N 466.611 2.337 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@H]1C 1300892758 VFWFYZSOAVWNHG-JUXOCIIHSA-N 450.543 2.377 30 10 JEEE C=C(C)COCCn1c(N2CC(C)(C)O[C@@]3(CCOC3)C2)nnc1[C@@]1(OCC)CCOC1 1301002083 SXRCQIXYNWAZLF-XZOQPEGZSA-N 450.580 2.297 30 10 JEEE C=C(Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCN(S(C)(=O)=O)CC1)c1ccccc1 1301009942 GFWAOIZKYATOFX-SFTDATJTSA-N 475.615 2.187 30 10 JEEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1301498186 KGOQKWULUUAPDA-UHFFFAOYSA-N 472.615 2.057 30 10 JEEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCS[C@@H](C)C2)cc1 1301518875 NGLJHKSOSPXOIU-HOTGVXAUSA-N 451.618 2.443 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN(c2ncc(Cl)cc2Cl)CC1 1301587701 RAABZIFJWUTEKO-UHFFFAOYSA-N 459.403 2.470 30 10 JEEE C=CCSCCn1c(-c2ccccn2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1301604659 YKTUYJULPGJWFN-GHTZIAJQSA-N 455.632 2.248 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCN(CC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1358958151 IOGCOPZKGHFGEB-OAQYLSRUSA-N 454.600 2.174 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H]1CCC[C@@H](O)C1)[C@@H]1CCS(=O)(=O)C1 1358959317 GLAVHSLYFJGUJG-GUDVDZBRSA-N 488.610 2.140 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2c(F)cccc2OC(F)F)CC1 1359040486 WXVOQDGQYDNMQS-UHFFFAOYSA-N 492.502 2.171 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(C)COCCO1 1359071159 GDAZKDVDGAVFID-QFWMQHCXSA-N 475.590 2.384 30 10 JEEE C=C(Cl)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1359154823 DBLJRBARFHCBCU-UHFFFAOYSA-N 480.038 2.013 30 10 JEEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cccc(OCC(=O)N(C)C)c1 1359237948 SSTHUOUEQNSQDN-UHFFFAOYSA-N 497.625 2.376 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1C[C@H](C)O[C@H](CC)C1 1359298741 KLCVGZHBGDAPHG-ZWKOTPCHSA-N 479.585 2.371 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2OCC)nnc1N1CCO[C@@H](C(F)(F)F)C1 1359305283 YIULXCQDBHLAMJ-QGZVFWFLSA-N 469.464 2.326 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCN2CCCC2)C1 1359314393 ABPGXPDWQUIQSK-HXUWFJFHSA-N 474.631 2.073 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CCO[C@H](c2noc(C)n2)C1 1359330496 UEQOAIIJFXDKSC-KRWDZBQOSA-N 478.962 2.469 30 10 JEEE CC(C)CC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1359888553 FJKAJWOTEIDHOD-MBSDFSHPSA-N 474.631 2.474 30 10 JEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1507575377 FZAVQCDCRFIVRR-UYAOXDASSA-N 487.626 2.130 30 10 JEEE C#CCN(c1nnc(C(C)C)n1Cc1ccc(NC(=O)N(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 1507622129 GBRMTLMXTAJNHB-LJQANCHMSA-N 458.588 2.170 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1nnc2n1CCCCC2 1507643550 OKKUCWQHFFUSLH-UHFFFAOYSA-N 453.348 2.475 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Sc1ccccc1 1507671697 ONJGSCLJQYAMHW-CTNGQTDRSA-N 487.651 2.255 30 10 JEEE C#CCN1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2C[C@@H](C)N(CC)CC)CC1 1507720767 WKZREQPBOUCWCW-LJQANCHMSA-N 486.690 2.032 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H](OC)C(C)C)CC1 1507729598 IXQWLMDOYMFPCG-PMACEKPBSA-N 476.622 2.013 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1507805213 OINKDDQCXAYYQL-RDGATRHJSA-N 481.645 2.236 30 10 JEEE C=CCCOCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1507957880 MHRBFMNEJYAJAR-UHFFFAOYSA-N 492.378 2.149 30 10 JEEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(CN2CCO[C@H](C)C2)c1 1507983316 PYFOJENFXARHJL-NQIIRXRSSA-N 459.616 2.071 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@]1(O)CCOC1 1508041276 LBMXLCKMVQQTER-JPYJTQIMSA-N 465.595 2.183 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@H](CC(N)=O)C1 1508139598 HRNBQIXECKNEJD-MRXNPFEDSA-N 456.572 2.119 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CC[C@H](c3ccco3)C2)nnc1[C@]1(OCC)CCOC1 1508149219 QPNXKLVLWKFGNP-UWJYYQICSA-N 450.561 2.118 30 10 JEEE Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C#N)C3)n2CCCN(C)C(=O)OC(C)(C)C)n1 1511715448 DNMLFGSRBZDIII-GOSISDBHSA-N 458.567 2.126 30 10 JEEE CC[C@H](C)[C@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)C(=O)N(C)[C@@H](C#N)CC 1530063965 BESFZUYJJZBVTH-IYOUNJFTSA-N 456.996 2.495 30 10 JEEE CC[C@H](C)[C@@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)C(=O)N(C)[C@@H](C#N)CC 1530063966 BESFZUYJJZBVTH-PMUMKWKESA-N 456.996 2.495 30 10 JEEE C=CCOc1ccc(CNC(=O)[C@@]23CN(C(=O)OC(C)(C)C)C[C@@H]2CS(=O)(=O)C3)cc1 1532131111 WWHTWQXGXZHFKF-VGOFRKELSA-N 450.557 2.149 30 10 JEEE C#CCCCn1c(COc2ccccc2OCC)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1539139498 JVYMGOSIBHZHOY-OAQYLSRUSA-N 480.613 2.412 30 10 JEEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC([C@H]2CCCO2)CC1 1539573921 GAFYSEGBOZAPTC-UKRRQHHQSA-N 462.414 2.192 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1539644464 OVRUHGZWPHYUFD-ZJOUEHCJSA-N 457.579 2.398 30 10 JEEE CC#CCS(=O)(=O)c1cccc(C(=O)NN2C(=O)N[C@@](C)(CCc3ccccc3)C2=O)c1 1540521037 PCTCPZWRVWCOSP-QHCPKHFHSA-N 453.520 2.072 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)C[C@@H]1CCCO[C@@H]1c1ccccc1 1540862092 QUHHBVSOIHUEMT-RBBKRZOGSA-N 466.586 2.420 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1540870285 JHSMFNAYRNXCSZ-HNNXBMFYSA-N 451.453 2.193 30 10 JEEE C=CCOc1ccc(Cn2c(Cc3csc(C)n3)nnc2N2CCO[C@H](C(=O)NC)C2)cc1 1540878901 MBDMGUZPURXFBU-FQEVSTJZSA-N 468.583 2.198 30 10 JEEE C=CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(=O)OC)CC1 1540910749 MZVXMPIQJIVHAC-UHFFFAOYSA-N 465.601 2.156 30 10 JEEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 1587662502 NVCBXOCPGXGHGA-UNMCSNQZSA-N 450.587 2.150 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC(C)(C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 1588055530 XGSROAXLXVUXIF-PMACEKPBSA-N 463.648 2.268 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1588074032 HOJCYOGKPNRASN-UAFMIMERSA-N 464.632 2.250 30 10 JEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCNC(=O)OC(C)(C)C 1588138939 JVPGSBRUWYHLBO-UHFFFAOYSA-N 478.601 2.440 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@H](C)N2CCOCC2)CC1 1588913568 NDVROFFQZLVTDX-GOSISDBHSA-N 471.005 2.285 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@H](c2cccc(OC)c2)N(C)C)CC1 1588930255 QZBRKIWURGSZES-JTHBVZDNSA-N 480.613 2.059 30 10 JEEE C=C(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1589708129 CJRDWNSHKHGDBO-KRWDZBQOSA-N 458.538 2.307 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2ccc(CC)cc2)C1 1593636127 HIVIKAQSTOZPND-RTWAWAEBSA-N 475.615 2.327 30 10 JEEE C=CCN(CC=C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1ccc(C(N)=O)nc1 1595205763 ZYRFKBMNADFRBH-UHFFFAOYSA-N 470.537 2.396 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1595798510 PUKQKNFAGFNPKL-ICSRJNTNSA-N 451.637 2.084 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCc2ccc(Cl)nc2C1 1595838740 ZICOFJIHYALWCX-LPHOPBHVSA-N 482.006 2.214 30 10 JEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C1CCC2(CC1)OCCO2 1595884741 RQJRDIPIQDTBGY-MRXNPFEDSA-N 456.634 2.221 30 10 JEEE CC(C)C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)N1CCOCC1)N(C)C 1603200618 GLCGCSHAEQZAHI-OAQYLSRUSA-N 453.591 2.088 30 10 JEEE C#CCN1CCN(C(=O)CN2CC[C@@H](c3ccc(F)cc3)[C@H](NC(=O)OC(C)(C)C)C2)CC1 1658928442 XOQPYYFBTHLMRK-FCHUYYIVSA-N 458.578 2.286 30 10 JEEE C#CCCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCO[C@@H](C(=O)NC)C1 1689888257 FHDYIXURROLNFT-RBUKOAKNSA-N 474.606 2.147 30 10 JEEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H](c1ccccc1)N1CCOCC1 1689947937 OVNNLKVLRBNELK-DHLKQENFSA-N 453.587 2.462 30 10 JEEE C#CCN(c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H](C)SC)[C@H]1CCS(=O)(=O)C1 1689989696 HYKVYDVSLYWZHA-BXWFABGCSA-N 462.597 2.169 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC(=O)NCC1CC1 1690056248 LBSVMJKVBFCNEV-KDURUIRLSA-N 454.575 2.038 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2C[C@@H](C)N(C)C2CC2)CC1 1690152264 DXLDXEYFGMYVEI-GOSISDBHSA-N 468.577 2.445 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2c(Cl)c(C(F)(F)F)nn2C)C1 1690697493 WSYWCUNWIVRLHW-VXGBXAGGSA-N 473.887 2.465 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCC[C@@H]2OC)c1 1705504111 NBWSBSOMMLDEBB-CTNGQTDRSA-N 464.570 2.385 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2C[C@@H]2CCN(CCC)C2)c1 1705508479 WWGMYKKAXFOQFW-OAQYLSRUSA-N 477.613 2.189 30 10 JEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCc2nccn2C1 1705552140 VWFGJCOBDUSIJV-ROUUACIJSA-N 455.563 2.115 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccc(OCC=C)cc1)[C@H]1CCS(=O)(=O)C1 1705564879 DXYSQMYGCVDWQZ-PMACEKPBSA-N 456.568 2.022 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H](C)c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1705566767 RATOCZQUQJAYOV-LPHOPBHVSA-N 454.531 2.305 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1cccc(NC(=O)OC)c1)[C@@H]1CCS(=O)(=O)C1 1705566991 TYIULYKTJAETID-GOSISDBHSA-N 468.539 2.127 30 10 JEEE C#CCN(c1nnc(CCOc2ccccc2)n1CCN1CCCCCC1)[C@H]1CCS(=O)(=O)C1 1705568346 LQXTZDFPRISVEE-QFIPXVFZSA-N 485.654 2.402 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2c(F)cccc2F)n1CC1CCN(CCN(C)C)CC1 1705583809 LYVZXHVTXURKQQ-UHFFFAOYSA-N 454.569 2.494 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1CC(=O)NC1CCCCC1 1705624926 ARFCOICSQUBLFF-HXUWFJFHSA-N 452.534 2.457 30 10 JEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(NC(=O)N(C)C)cc1 1705626551 ADICXKQGLBUWQP-UHFFFAOYSA-N 479.541 2.234 30 10 JEEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1nccc(C(F)F)n1 1705628294 CFLSMHLRTVPNEL-UHFFFAOYSA-N 483.527 2.314 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2Cc2ccc(N3CCO[C@@H](C)C3)nc2)CC1 1705643998 FHGCQMXAAHXUDL-UXHICEINSA-N 479.629 2.426 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2oc(CCC)nc2C)CC1 1705652766 MJHOYEKHTXROQI-UGKGYDQZSA-N 484.601 2.265 30 10 JEEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1705737943 GDBGEQMRHWDYHZ-QFIPXVFZSA-N 473.603 2.041 30 10 JEEE C=C(Cn1c([C@H]2CCOC2)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1)c1ccccc1 1705742776 FOVTXTDHKIFSRE-QFIPXVFZSA-N 489.642 2.372 30 10 JEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](Oc2ncccc2F)C1 1705819161 FCOIOYGYDJMHLE-HKUYNNGSSA-N 494.593 2.159 30 10 JEEE C=CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1705889673 UAYUOAZWHMZLDK-MRXNPFEDSA-N 481.557 2.108 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@H](C(C)C)C1 1705933675 OSFDSSAPMRNKSL-IBGZPJMESA-N 470.603 2.394 30 10 JEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(N2CCCCC2=O)CC1 1705946631 MZJMRRWHYBDWSW-KRWDZBQOSA-N 467.661 2.081 30 10 JEEE C[C@H](C#N)CN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCN(CC(F)(F)F)C1 1706069928 FKZANCQPWUEYLA-CVEARBPZSA-N 474.495 2.401 30 10 JEEE CN(CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCO[C@H](C#N)C1)CC(F)(F)F 1711211548 CHESQEWURYPDER-RHSMWYFYSA-N 452.437 2.013 30 10 JEEE C#CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1CC1(O)CCS(=O)(=O)CC1 1722347132 VVKFRNDOXWBKLC-UHFFFAOYSA-N 487.807 2.370 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1CCc1nccc(C(F)(F)F)n1)[C@@H]1CCS(=O)(=O)C1 1722360753 JILYWLQYFANGNX-OAHLLOKOSA-N 491.499 2.018 30 10 JEEE C#CCN(CC#C)c1nnc(CCc2ccc(OC)cc2)n1C[C@]1(N2CCOCC2)CCSC1 1722385774 ONECMASCOQFUPQ-AREMUKBSSA-N 479.650 2.353 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCOC3)n2CC2(C)CCOCC2)n1 1722429931 VDZNFXLLHKHITB-FQEVSTJZSA-N 456.591 2.472 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCCCN2CCOCC2)CC1 1722432550 YFVURWQYBRJQGQ-NRFANRHFSA-N 470.593 2.425 30 10 JEEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(NC(=O)C(C)C)CC1 1722456162 ZVAMEMWCDDELDT-UHFFFAOYSA-N 489.667 2.456 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@](C)(O)CCOC 1722471898 VGSIPTIESISKJY-RPBOFIJWSA-N 464.570 2.455 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1722511097 YOFWWHHDHKDEEZ-MHTWAQMVSA-N 482.647 2.183 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCOc2cccc(OC)c2)CC1 1722565898 FFNFVMRYYUMMHL-OAQYLSRUSA-N 491.614 2.245 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1722693726 YMQWROVZDVSLGT-LJQANCHMSA-N 489.571 2.065 30 10 JEEE CN(C)S(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H]1C1CCC1 1729344436 FHSRDYOBODLAKQ-HXUWFJFHSA-N 458.588 2.389 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CCCC3)n2C[C@@]2(O)CCN(C)C2)c1 1740564340 KBIXVNHBKBFWDE-RUZDIDTESA-N 450.587 2.134 30 10 JEEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C2CCOCC2)CC1 1740577389 BUDDNTSJWXJLCZ-UHFFFAOYSA-N 456.616 2.374 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)ccc2Br)n1C[C@@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1740618863 KZIUFSYXVHTIFJ-HUUCEWRRSA-N 497.415 2.378 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccc(C(N)=O)cc1 1740644349 CKSPEGPPOKEVOK-BGYRXZFFSA-N 462.554 2.269 30 10 JEEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1740667414 CCKVCDNGFVKXSE-SFHVURJKSA-N 497.600 2.181 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1740671731 NGQZRGOXCULVAH-ULQDDVLXSA-N 477.553 2.439 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H]2CCOC2)CC1 1740694809 UTTVTOSJILJNNZ-WOJBJXKFSA-N 458.607 2.184 30 10 JEEE C#CCSCCn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1740712333 DRNATCGIUCXZDV-QGZVFWFLSA-N 451.618 2.321 30 10 JEEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(Cc2c(CC)nn(C)c2Cl)CC1 1740718706 UNKBTUKMJKEHMS-KRWDZBQOSA-N 478.066 2.420 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C2CCN(c3ncccn3)CC2)n1CCC(=O)NC(C)C 1740731740 ZOQWDUYMVNVNFD-XMMPIXPASA-N 450.591 2.359 30 10 JEEE C=C(Br)Cn1c(N2CC[C@@H]3[C@@H](CC(=O)N3C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1740750382 POMJLINAPROSLI-RZQQEMMASA-N 468.396 2.284 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CCN(C)C(=O)[C@@H]1C 1740954426 LWQARTMKFZQBKH-LBPRGKRZSA-N 481.782 2.330 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC(S(=O)(=O)CC)CC1 1740959271 POKDYOJPUQZHBM-UHFFFAOYSA-N 484.582 2.306 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2(NC(=O)OC(C)(C)C)COC2)C1 1740983740 OXVRFZAPYLCCQV-IBGZPJMESA-N 487.605 2.215 30 10 JEEE CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cc(C)no2)CC1 1743905788 DOLXLLLWGYNPLK-KRWDZBQOSA-N 462.558 2.198 30 10 JEEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCSC2)C1 1746552178 DTWMMONQXBPUSW-ICSRJNTNSA-N 490.655 2.390 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1Cc1cnccc1OC)[C@H]1CCS(=O)(=O)C1 1748808633 MNOWONXYVHQZDC-IBGZPJMESA-N 497.577 2.041 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCCN1CCCCCC1=O)[C@@H]1CCS(=O)(=O)C1 1748808713 GNHNFTQTAYZJJQ-JOCHJYFZSA-N 494.621 2.236 30 10 JEEE C#CCN(CC)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1748917359 VZGOUXRWIULGDJ-OAHLLOKOSA-N 496.431 2.457 30 10 JEEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)c2ccccc2OCC)CC1 1749032352 DJWXMSJCMKFPAG-UHFFFAOYSA-N 477.594 2.463 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1749103136 RYTSXVONCZDTGX-QZTJIDSGSA-N 453.429 2.297 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1749129487 DVEGVJAIACCBJS-ZVDOUQERSA-N 481.663 2.452 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCC(OCC(N)=O)CC1 1749133272 JSNVATNKBLTFFI-KKSFZXQISA-N 460.604 2.086 30 10 JEEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1749677628 GGXQIMRSTDPORQ-MOPGFXCFSA-N 475.578 2.315 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1749737959 BJPDBNHKUXZRCQ-FQEVSTJZSA-N 480.656 2.068 30 10 JEEE CC(C)CN1CCO[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H](CC(N)=O)C2)C1 1750844799 CYOAQDDSHZNZJR-UNMCSNQZSA-N 465.602 2.265 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1760109999 JGQZTVRNFXFEBI-SJLPKXTDSA-N 497.600 2.179 30 10 JEEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1760144551 SVIHPQGHRYNRQT-HXUWFJFHSA-N 471.005 2.433 30 10 JEEE C#CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1760161848 MQPZYMALQXSERI-SFHVURJKSA-N 494.662 2.276 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1OCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1760185334 VMUSXFITRGOBKV-PMACEKPBSA-N 453.568 2.259 30 10 JEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCOc1ncccc1F 1760206213 UDBXXYUMPOEDJF-UHFFFAOYSA-N 460.517 2.138 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CC[C@H](CO)O1 1760222263 DFERGTCRIXCMMN-ZGXWSNOMSA-N 457.575 2.052 30 10 JEEE C#CCSCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC(=O)N(C)[C@H](C)C1 1760279897 BACGBBCKDIUZPM-QGZVFWFLSA-N 476.647 2.426 30 10 JEEE C=CCCCn1c(Cc2ccccc2OC)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1760441378 GJXTVZCDVGXULL-OAQYLSRUSA-N 489.642 2.475 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1)C(C)C 1760489745 JDLWPLDWSCXWDO-QDMVCWPOSA-N 472.634 2.312 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(c3ccccc3)CCOCC2)C1 1760535801 XILNSUZUBHACDC-PZJWPPBQSA-N 489.642 2.418 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1760539802 WEVLQGWVTSLARG-RTBURBONSA-N 476.559 2.059 30 10 JEEE N#Cc1cccc(-c2nnc(N3CCC(C(=O)NCC(F)(F)F)CC3)n2CCCn2ccnn2)c1 1770730668 CEACMTISKCAUFL-UHFFFAOYSA-N 487.490 2.393 30 10 JEEE N#CC1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCC(=O)N2CCOCC2)CC1 1770740415 GUBPGHDNVJPMBQ-UHFFFAOYSA-N 462.352 2.025 30 10 JEEE COc1ccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2CCCN2CCOCC2)cc1O 1862558262 RILAJGOZIUXKLS-JOCHJYFZSA-N 467.522 2.284 30 10 JEEE COCCN(CCOC)C(=O)[C@H](CCSC)NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1 1868783500 RZQFYBFXTCAJLJ-VQTJNVASSA-N 496.699 2.384 30 10 JEEE CCCCCCCOc1cn(Cc2ccc(S(N)(=O)=O)cc2)c(CN(C)CCO)cc1=O 1870413263 XMSOHDFUFNVINR-UHFFFAOYSA-N 465.616 2.317 30 10 JEEE C=CCn1cc(OCC(=O)Nc2cc(Cl)ccc2OC)c(=O)cc1CN1CCC(C(N)=O)CC1 1870702906 JFBZVWDFZXGPGK-UHFFFAOYSA-N 488.972 2.411 30 10 JEEE C#CCOc1cn(CCOCCO)c(CNc2ccc(I)cc2)cc1=O 1871007725 PLTMKHCYBSQZGQ-UHFFFAOYSA-N 468.291 2.086 30 10 JEEE O=C1C[C@@H](c2nnc(SCCO)n2/N=C/c2ccc(O)c(O)c2)CN1Cc1ccccc1 1874208713 MSMURHHVNZIYBT-UXHMZNKVSA-N 453.524 2.172 30 10 JEEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)[C@H]3CC(=O)N(c4ccc(F)cc4)C3)CC2)CC1 1889525398 SYRNXLNICOFQTP-QFIPXVFZSA-N 484.616 2.216 30 10 JEEE CCN(CC)c1cccc(OCC#CCNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 1891626997 JCJJANJWHXRMTG-UHFFFAOYSA-N 485.606 2.366 30 10 JEEE COc1cccc(S(=O)(=O)NCc2ccc(C(=O)N3CCN(c4ncccc4C#N)CC3)cc2)c1 1892408120 OAJMCZHOZURRNJ-UHFFFAOYSA-N 491.573 2.403 30 10 JEEE C#CCN(CC(=O)N1CCC(C2(O)CN(C(=O)OC(C)(C)C)C2)CC1)C(=O)OC(C)(C)C 2060408502 RPDORMLKNYFSIL-UHFFFAOYSA-N 451.564 2.077 30 10 JEEE CN1CC[C@](CNC(=O)OC(C)(C)C)(Oc2nccc(B3OC(C)(C)C(C)(C)O3)c2F)C1 2265995391 IPJGMUKJGZLDTE-JOCHJYFZSA-N 451.348 2.498 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1NC(=O)c1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2266987923 HZFHVKLLHKWHMS-DLBZAZTESA-N 450.316 2.147 30 10 JEEE Cc1nc(C(=O)N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2267175038 IODCOHYYVIBVRT-AWEZNQCLSA-N 467.397 2.116 30 10 JEEE Cc1cc(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)sc1B1OC(C)(C)C(C)(C)O1 2267235270 HZTLJTJLOFFMAB-HUUCEWRRSA-N 466.409 2.313 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1CC[S@](=O)(=NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2267292334 BISGNDZIOFJXMO-ORCIVFGKSA-N 467.397 2.467 30 10 JEEE COC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1OC 2268669821 PWVXHFMQCZRZTK-MRXNPFEDSA-N 450.341 2.473 30 10 JEEE CC(C)(C)OC(=O)N1CC2(CC2)C[C@@H]1CC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2268679579 GIGHLDQZAGPAIW-ZDUSSCGKSA-N 464.397 2.377 30 10 JEEE CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)ccc1F 2268703045 ZPYBDNZGYNFKRU-QGZVFWFLSA-N 452.332 2.017 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@H]2[C@@H]1[C@H]2C(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)cs1 2268707419 SKOAZUMXNCMFEJ-IXDOHACOSA-N 464.393 2.298 30 10 JEEE CC(C)(C)OC(=O)NCC(C)(C)OCCNC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2278391102 BKZOOZCKCNHRIZ-UHFFFAOYSA-N 469.413 2.492 30 10 JEEE Cc1nn(C)c(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2C)c1B1OC(C)(C)C(C)(C)O1 2281977316 NOJHXGIZIHNWAQ-GOEBONIOSA-N 462.400 2.403 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@@]1(NC(=O)OC(C)(C)C)CCOC1 2282127016 RTYZVGKLKYXVSJ-QHCPKHFHSA-N 463.384 2.221 30 10 JEEE CC(C)(C)OC(=O)NCCc1n[nH]c(NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)n1 2282177435 GOHZDFHWOORQRY-UHFFFAOYSA-N 457.340 2.423 30 10 JEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282190126 OIQYISTYLPSCKR-ZWKOTPCHSA-N 461.368 2.135 30 10 JEEE CC[C@@](C)(CNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)N(C)Cc1ccccc1 2282329217 JRQIFWKQUFIDPH-QHCPKHFHSA-N 476.452 2.298 30 10 JEEE CC(C)(C)OC(=O)N1CC(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2Cl)(C(=O)O)C1 2282405117 RHMZQAARVQQVQH-UHFFFAOYSA-N 480.754 2.443 30 10 JEEE CC1(C)OB(c2scnc2CS(=O)(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)OC1(C)C 2282493020 RGYWCERGFQMIIR-AZUAARDMSA-N 489.472 2.478 30 10 JEEE Cc1nc(C(=O)N2C[C@H]3CC[C@H]2[C@H](NC(=O)C(F)(F)F)C3)c(B2OC(C)(C)C(C)(C)O2)s1 2282509724 OEOPBQICKNXXEK-XQQFMLRXSA-N 473.326 2.422 30 10 JEEE CC(C)(C)OC(=O)NCCC1(O)CCN(C(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)CC1 2282512333 HSYBTCCQDMYMND-UHFFFAOYSA-N 481.424 2.324 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)n1 2282546338 VBPYVZZRFSBWFH-WOJBJXKFSA-N 450.392 2.313 30 10 JEEE Cc1c(C(=O)NC2CC(CCNC(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282554465 FCSPWJIRILVCEL-UHFFFAOYSA-N 462.400 2.451 30 10 JEEE Cn1nc(C(=O)NC[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2282615770 RVXQVVRTZUTRIJ-UXLLHSPISA-N 460.384 2.095 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C12CCC2 2282627895 KNTCYRSKPPCBLP-INIZCTEOSA-N 458.368 2.438 30 10 JEEE Cc1nc(NC(=O)[C@]2(CNC(=O)OC(C)(C)C)CCCO2)ncc1B1OC(C)(C)C(C)(C)O1 2283992202 YMINEWDNUHXGGX-JOCHJYFZSA-N 462.356 2.097 30 10 JEEE C[C@H](NC(=O)C1=C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C1)c1nscc1B1OC(C)(C)C(C)(C)O1 2284046122 WBLVRJASUXNCIV-APHBMKBZSA-N 479.408 2.204 30 10 JEEE CC1(C)OB(c2cnc(C(=O)N3CCC[C@H](NC(=O)C(F)(F)F)CC3)c(F)c2)OC1(C)C 2286118329 ZKKGWUXNEVOFLN-ZDUSSCGKSA-N 459.249 2.193 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2C[C@]2(CNC(=O)OC(C)(C)C)C1 2288246602 DYSYFILMJHLBON-CMJOXMDJSA-N 460.384 2.015 30 10 JEEE COc1ccccc1CCc1nnc(SCC(N)=O)n1N=Cc1ccc(O)c([N+](=O)[O-])c1 2328682361 LIVPKFYATQRJNR-UHFFFAOYSA-N 456.484 2.145 30 10 JEEE COC(=O)c1ccc(CSc2nnc(CNC(C)=O)n2N=Cc2ccc(OC)cc2OC)o1 2330761653 NHTBZAFWLPRJRJ-UHFFFAOYSA-N 473.511 2.486 30 10 JEEE CO[C@H](CNC(=O)OC(C)(C)C)CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2339941467 GPPRKJKUKMIEDS-CQSZACIVSA-N 490.453 2.174 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CC(N)=O)C(=O)NCc1sc(Cl)cc1B1OC(C)(C)C(C)(C)O1 2343827452 PJLXJLGDZOLSPT-GFCCVEGCSA-N 487.815 2.086 30 10 JEEE C[C@H]1CC[C@@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2362353776 MXNOKPDIKUETQQ-HOTGVXAUSA-N 462.400 2.485 30 10 JEEE COc1nc(N2CCOC3(CN(C(=O)OC(C)(C)C)C3)C2)ccc1B1OC(C)(C)C(C)(C)O1 2365344426 NWIQGFOLUCGRDX-UHFFFAOYSA-N 461.368 2.216 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(C(=O)OC(C)(C)C)[C@H]2CCC[C@H]21 2367687023 NCTYCAZEILSDFJ-CVEARBPZSA-N 460.384 2.333 30 10 JEEE CO[C@@H]1O[C@H](COS(=O)(=O)c2ccc(C)cc2)[C@H](OC(C)=O)[C@H]2OC(c3ccccc3)=N[C@@H]21 216674823 BOYDSGVAFVWMGZ-YPSHPOCOSA-N 475.519 2.218 30 10 JEEE C=CCNC(=O)c1cccc(S(=O)(=O)Nc2c(C(=O)OC)cc(OC)c(OC)c2OC)c1 515624845 SRKADVWPTGQNLG-UHFFFAOYSA-N 464.496 2.216 30 10 JEEE COc1ccc(N2CCCC2=O)cc1S(=O)(=O)N(CCCNC(C)=O)Cc1cccc(C#N)c1 586153311 HELOLUPRVMLFKE-UHFFFAOYSA-N 484.578 2.411 30 10 JEEE CCN(CC)C(=O)CSc1nnc(S[C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)n1N 856436277 HNVHDFYJUSUPEG-CHWWFWEZSA-N 467.665 2.364 30 10 JEEE C=CCc1cccc(C=NNc2nnc(SCC(=O)NCc3ccc(F)cc3)n2N)c1O 1084109931 RSUHGOIKEXMQST-UHFFFAOYSA-N 455.519 2.420 30 10 JEEE C=C(C)Cn1c(SCC(=O)N2CCN([C@H](C)C(=O)NC3CC3)CC2)nnc1-c1ccco1 1136126293 SXSXJRCVOKROPW-MRXNPFEDSA-N 458.588 2.018 30 10 JEEE C#CCN(c1nnc(-c2ccccc2)n1C[C@@H]1CCN(CC(F)(F)F)C1)[C@H]1CCS(=O)(=O)C1 1286386876 IVOCCCLDSZENJA-MJGOQNOKSA-N 481.544 2.456 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCO[C@H](C)C1 1286410515 UMOJPRWAMZCWLR-AQNXPRMDSA-N 457.575 2.474 30 10 JEEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@]1(O)CCO[C@H]1C 1286412838 FEIFSJFUWNAKOW-MHECFPHRSA-N 457.575 2.005 30 10 JEEE C#CCN(CC#CC)c1nnc(COc2ccc(Br)cc2)n1CCS(C)(=O)=O 1286433639 IHTOOZKAXSOTIM-UHFFFAOYSA-N 465.373 2.127 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccc(OCC)c2OC(F)F)CC1 1286479907 PWRFQPVEWWWYFW-KRWDZBQOSA-N 474.512 2.033 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2Cc2nc(C(C)(C)C)cs2)CC1 1286494461 PIOCYGHURIQVTH-UHFFFAOYSA-N 483.642 2.169 30 10 JEEE C#CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1286499631 NKSCSAVQYAWQAW-CABCVRRESA-N 450.586 2.298 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCC)CC1CC1 1286555943 MQGFPULMRRLSBA-ZCNNSNEGSA-N 467.636 2.219 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1286567855 WXIYUIVIZATOMF-RDGATRHJSA-N 481.645 2.236 30 10 JEEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1286706357 NHRNIMMQQQGXFP-UHFFFAOYSA-N 465.620 2.045 30 10 JEEE C=CCN(CCOC)c1nnc(-c2cccc(Br)c2)n1CC(=O)N1CCOCC1 1286766245 YXBMMCIAPGGGIC-UHFFFAOYSA-N 464.364 2.205 30 10 JEEE C=CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1286770824 JRAJZAQMSDCDQD-ROUUACIJSA-N 479.578 2.374 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CCOC[C@@H]1C 1286782067 JMEPNSUKWKVKHK-ZDUSSCGKSA-N 450.337 2.244 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1286784398 GNMJGOAQHNHHRP-INIZCTEOSA-N 481.022 2.009 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1286792393 WSRXTNKMNVBIHN-UHFFFAOYSA-N 499.019 2.259 30 10 JEEE CC(C)N1CCC[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCNC(=O)CC2)C1 1287983984 CKBOYDURIYLZIK-FQEVSTJZSA-N 451.575 2.175 30 10 JEEE CC(C)NS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H]1[C@H]1CCCO1 1288267640 DZISYBDQEJYRIA-VQTJNVASSA-N 458.588 2.292 30 10 JEEE CCCn1nc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CC(C)(C)C(=O)NC)c2ccccc2c1=O 1294767332 HHXHMSFOIKAGTN-XMMPIXPASA-N 480.548 2.279 30 10 JEEE COc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCCN2CCC(O)CC2)cc1OC 1300040797 CXKWZFYHTCJQPR-QHCPKHFHSA-N 458.538 2.251 30 10 JEEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1ncn(-c2ccccc2)n1)[C@H]1CCS(=O)(=O)C1 1300481920 CGYXKLIKODXZIW-HKUYNNGSSA-N 453.572 2.047 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H](F)COC)[C@H]1CCS(=O)(=O)C1 1300489256 KNLQZUNABBGAQR-CVEARBPZSA-N 470.954 2.218 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccc(Br)cc2)n1C[C@@H]1CCS(=O)(=O)C1 1300548585 LQMYDCNAJTUOOI-INIZCTEOSA-N 477.384 2.127 30 10 JEEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCS(=O)(=O)C(C)(C)C 1300625340 FKGLRMODNDQJFD-UHFFFAOYSA-N 459.620 2.125 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(N2CCOCC2)CCSC1 1300665519 MITJMZAQRNTEAJ-DEOSSOPVSA-N 466.611 2.111 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2C[C@H](C)N(C)C)CC1 1300716842 SOZJTQHMHORYDI-SFHVURJKSA-N 460.586 2.251 30 10 JEEE C=C(Br)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1300859138 ZVLCJMFOKIWZON-SFHVURJKSA-N 450.341 2.079 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1ccco1)N1CCCC1 1300916208 UTUZWRDPJMNBLM-CTNGQTDRSA-N 492.646 2.444 30 10 JEEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1300981168 SDOZFKSFGFISMN-UHFFFAOYSA-N 474.009 2.331 30 10 JEEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(I)cc1 1301273696 VMYCMJHBFHAIDI-GFCCVEGCSA-N 475.356 2.163 30 10 JEEE C=CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1301435586 FDSUNMXKPFXJQX-UHFFFAOYSA-N 467.530 2.205 30 10 JEEE CC(=O)N1CCCN([C@@H]2CN(c3nnc(CC(C)C)n3Cc3ccc(C#N)o3)C[C@H]2C)CC1 1301709390 USHNWFQVOMRWHB-XMSQKQJNSA-N 453.591 2.368 30 10 JEEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CC[C@H](F)C2)CC1=O 1301927281 AUCYAFPAWMBPON-OALUTQOASA-N 456.522 2.162 30 10 JEEE CC(C)CCN1CCC(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)CC1 1303089472 BWIHBPNGCPUYCO-DYESRHJHSA-N 469.631 2.088 30 10 JEEE C[C@H](NC(=O)[C@H](C)N1CCC(Oc2cccc(C#N)c2)CC1)c1ccc(S(N)(=O)=O)cc1 1307462431 DYHJOIGNDCNRIT-IRXDYDNUSA-N 456.568 2.315 30 10 JEEE CNS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1315064585 HFZYBEFSYIYHKW-UHFFFAOYSA-N 489.989 2.247 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(Cl)c(OC)c(OC)c1 1358872722 XYVDYUIGZMLQHL-CHWSQXEVSA-N 455.968 2.065 30 10 JEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@H](C)c2nc(C(C)C)no2)CC1 1358913154 GZLLSZVMWYNSKR-RTBURBONSA-N 489.646 2.373 30 10 JEEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1358915671 LSVWGDBIDVABJH-UHFFFAOYSA-N 451.531 2.439 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1C[C@@H](CC)OC)[C@@H]1CCS(=O)(=O)C1 1358957462 UXWZEWQXJQWCOP-HZPDHXFCSA-N 484.420 2.098 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1CCCOc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1358960861 MZDCDJBAWCRHHW-LJQANCHMSA-N 483.594 2.388 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(C)n2)n1C[C@]1(N2CCOCC2)CCSC1 1358991832 QFRXTLQVCPROQG-XMMPIXPASA-N 450.612 2.319 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2CC2CCN(CCN(C)C)CC2)CC1 1359038799 LFLYATBVIMFQPE-UHFFFAOYSA-N 479.673 2.194 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2Cc2c(C)nn(C)c2C)CC1 1359043055 FKBONKJXMZXOJF-UHFFFAOYSA-N 461.570 2.318 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CCCN2CCC(C)CC2)CC1 1359046621 ZFUNWNMGGXSELI-UHFFFAOYSA-N 463.630 2.352 30 10 JEEE C#CCSCCn1c(CC(C)C)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1359057845 KNDUEZDJIFHXCE-UHFFFAOYSA-N 465.620 2.493 30 10 JEEE C=C(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1359120927 MFWDSNODPDTTNO-INIZCTEOSA-N 471.587 2.278 30 10 JEEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1359135302 YVOSCISJVKIJAH-PGRDOPGGSA-N 487.674 2.215 30 10 JEEE C=C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCNC(=O)c2cc[nH]n2)CC1 1359157988 AGJZLLUCOUAYHI-UHFFFAOYSA-N 468.949 2.171 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O)C(C)C 1359266231 WUCIZFRTFQHZFU-XZIDXFLPSA-N 491.702 2.476 30 10 JEEE C=CCN(C)CCN(CC)C(=O)[C@@]1(C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CCO1 1467728391 IJOZAVRMKTZKKL-HSZRJFAPSA-N 455.596 2.301 30 10 JEEE CC(C)CCOc1ccc(NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)nn1 1476870009 DPIVYGVAJDUJPS-UHFFFAOYSA-N 458.544 2.312 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@H](C)CN1CCOCC1 1507522351 VHGRMTHSLBWMDZ-MSOLQXFVSA-N 457.575 2.397 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCN(C)CCOC 1507538332 LMWZLVDQLBIOFH-RTBURBONSA-N 464.611 2.013 30 10 JEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2cc(OC)c(OC)cc2CC1 1507558268 VSXXZLSYNLMYTF-QGZVFWFLSA-N 475.615 2.314 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1Cc1sccc1C)[C@@H]1CCS(=O)(=O)C1 1507623711 WAOHUOVWYPYPTC-QGZVFWFLSA-N 463.629 2.241 30 10 JEEE C#CCN(c1nnc(-c2ccccc2)n1CCCOC[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1507628227 HHDCKGSSQCJFJG-TZIWHRDSSA-N 458.584 2.015 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@@H](c1ccco1)N(C)C)[C@H]1CCS(=O)(=O)C1 1507633130 BJLYSLNLCHOWMO-SFTDATJTSA-N 497.621 2.400 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(OC)c2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1507644659 LHCWVQOPDUCXOZ-IRLDBZIGSA-N 467.595 2.231 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2Cc2ncn(C)n2)CC1 1507734528 OLUFPHMPKYMGKA-UHFFFAOYSA-N 497.401 2.159 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2CCCN2CCCCC2=O)CC1 1507736593 OEVDPWFHRQWASO-UHFFFAOYSA-N 478.597 2.322 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1507742560 LRTCEABMUGYVMZ-JOCHJYFZSA-N 476.625 2.402 30 10 JEEE C#CCSCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CC[C@@H](C(=O)OC)C1 1507752475 YKZIBOJIPPYHAR-QGZVFWFLSA-N 480.594 2.431 30 10 JEEE C=C(Br)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC(OCC(N)=O)CC1 1507780422 BXBSRSPNTMMVSP-UHFFFAOYSA-N 480.363 2.342 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@H](C)C1 1507800875 YZXSKNQANSVMBE-NMLBUPMWSA-N 467.636 2.219 30 10 JEEE C=C(Cl)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1507860217 KXZJODLBXTYAGK-SFHVURJKSA-N 474.949 2.481 30 10 JEEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1507928486 GMKFYTFVERSTJU-RBBKRZOGSA-N 471.650 2.249 30 10 JEEE C=CCN(C)c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1507971018 HSBJRVUGGFWPBC-WMZOPIPTSA-N 452.625 2.023 30 10 JEEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C(F)(F)F)cc2)CC1 1508049289 UOAMOXSNXPFBMZ-CQSZACIVSA-N 458.510 2.420 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Br)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1508089261 BBJIXZSWNGUKRO-HOTGVXAUSA-N 492.330 2.036 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CC[S@](=O)CC)C1 1508120016 XLGJLPHXUOZYQN-UAIZEJDJSA-N 470.599 2.225 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2ccc(N(C)C)cc2)C1 1508123332 HRLOZWWUIACZEU-FPOVZHCZSA-N 459.616 2.270 30 10 JEEE C[C@H](C#N)CN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(C(=O)N(C)C)CCCC1 1508415226 CJFDRNTWFBVXTO-QGZVFWFLSA-N 462.562 2.165 30 10 JEEE C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1ncccc1N(C)C 1508434324 CBQKQLRGTXHIMN-ROUUACIJSA-N 497.625 2.496 30 10 JEEE Cc1noc(C)c1CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1511926966 BCXNQNRQCAJNLA-UHFFFAOYSA-N 469.571 2.182 30 10 JEEE CCS(=O)(=O)CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@@H](C#N)C1 1516811498 FGUACVDTSLPQCO-IBGZPJMESA-N 461.588 2.318 30 10 JEEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2([S@](C)=O)CCC2)C[C@@H]1C 1519227354 FQKYAEZCMJUVEJ-UPTQXZAWSA-N 456.616 2.275 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1CCC(=O)NC1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1539212180 SVEQNFOCYXCACS-HXUWFJFHSA-N 499.637 2.419 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CC1(OC)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1539226448 YFMGMDAEGOFPIH-HXUWFJFHSA-N 457.600 2.240 30 10 JEEE C#CCN(c1nnc(CCOc2ccccc2)n1Cc1ccc(F)cn1)[C@@H]1CCS(=O)(=O)C1 1539231427 VRTOJAYCQBOWCZ-HXUWFJFHSA-N 469.542 2.109 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(CC)cc3)n2CCN2CCN(C)C(C)(C)C2)CC1 1539474282 NACPVJFHZZPSHZ-UHFFFAOYSA-N 491.684 2.499 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Cl)n2CCN(C)CCOC)CC1 1539476489 YOLKIMKPUQJWPF-UHFFFAOYSA-N 458.994 2.143 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCC(=O)N1CCOCC1 1539570172 QECNVTWCRSOEPY-HHJKRLRDSA-N 486.617 2.290 30 10 JEEE C=CCCCn1c(N2CCN(CC(=O)N3CCCCC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1540021268 PATCBQIFMRPUIX-VWLOTQADSA-N 474.650 2.419 30 10 JEEE C=CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 1540855862 BXBADBLOHKDZLL-INIZCTEOSA-N 451.535 2.458 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N(C)C[C@H](c1cccs1)N1CCOCC1 1540876762 ZYWDUAODZKKYSQ-QZTJIDSGSA-N 460.604 2.003 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCOCC)C1 1540891975 CLUKGNKUDITYEZ-QZTJIDSGSA-N 451.568 2.404 30 10 JEEE CC[C@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCCN1CCCCC1=O 1545533074 BNXCHWVNYCDGIJ-SFHVURJKSA-N 467.622 2.434 30 10 JEEE CN(C)[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](C#N)C1)c1ccsc1 1552748835 DKSVPHYRGQYOFR-IRXDYDNUSA-N 452.544 2.019 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CC1(COC)CCC1)[C@H]1CCS(=O)(=O)C1 1588040803 QUFXCDSABVGYCO-KRWDZBQOSA-N 463.991 2.437 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@]2(N(C)C)CCSC2)CC1 1588780273 KDRSHHISVXUXOY-DEOSSOPVSA-N 470.643 2.155 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(C)nc4ccccc34)n2CC(=O)NCC=C)CC1 1588890509 AQNAFVVEODVOID-UHFFFAOYSA-N 471.565 2.070 30 10 JEEE C=C(Br)Cn1c(N2CC[C@](C)(N3CCOCC3)C2)nnc1[C@@]1(OCC)CCOC1 1589459913 GSTJFRMAIMDYQC-VQTJNVASSA-N 470.412 2.140 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCCN2CCC[C@@H](C)C2)CC1 1594097766 YEHDLUYMAGXHCM-RTWAWAEBSA-N 480.679 2.280 30 10 JEEE C=CCCOCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1594798372 QGSQWLCFRSBDIR-GOSISDBHSA-N 456.547 2.111 30 10 JEEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1594807048 CEZIRMWLBSFITG-LJQANCHMSA-N 453.522 2.159 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC1(O)CCOCC1 1595134135 SOPGVWOPYRRAHN-IBGZPJMESA-N 478.590 2.444 30 10 JEEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@@H](C(C)C)C1 1595884274 JDOSMYKPQIUDBH-IAGOWNOFSA-N 475.706 2.108 30 10 JEEE CCOCc1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CC1(C(N)=O)CCCC1 1616883851 DHUURRBUTKQJHD-UHFFFAOYSA-N 451.575 2.449 30 10 JEEE C=CC[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 1657641127 JPEOSRJUGVYEOY-SZVBFZGTSA-N 455.602 2.408 30 10 JEEE C=CCN([C@@H](Cc1ccccc1)C(=O)OCC)S(=O)(=O)c1ccc2nc(O)nc(O)c2c1 1668594958 AZVCNSTUJGUHKU-IBGZPJMESA-N 457.508 2.392 30 10 JEEE Cn1ccnc1[C@@](O)(CCNC(=O)N1CCN(c2ccc(F)cc2C#N)CC1)C(F)(F)F 1676514683 FWEMBDRVQXUNBV-IBGZPJMESA-N 454.428 2.103 30 10 JEEE C=CCS(=O)(=O)CCNC(=O)N[C@H](c1ccc(C)cc1)c1cccc(S(C)(=O)=O)c1 1678246349 FTZUYXSBZHKZQR-HXUWFJFHSA-N 450.582 2.388 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2CCCN2CCCO[C@H](C)C2)CC1 1690125954 QOCSXLIQOBEZSF-OAQYLSRUSA-N 454.594 2.264 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@](C)(O)c2ccc(F)cc2)CC1 1690142927 YJARFUHWNDISQP-XMMPIXPASA-N 450.518 2.286 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CCOc2ccccc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1690251012 OCBDSYDPPUEUIG-SQJMNOBHSA-N 482.629 2.091 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(NC(=O)COC)CC1 1690252886 KBQCKENVWTYKFF-NLFFAJNJSA-N 494.596 2.441 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1690665926 UFCKZWBXDAEAOQ-CVEARBPZSA-N 492.330 2.133 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@]2(C)COCCO2)C1 1690700036 MUPZHKYOTLJRMN-IECBHUPTSA-N 493.605 2.173 30 10 JEEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1690742324 MRAPBCXNCLIGDR-CYBMUJFWSA-N 450.506 2.171 30 10 JEEE CCN1CCN(C[C@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@H](OC)C2)CC1 1695904050 DUVMUNMNBSTGSB-NZQKXSOJSA-N 467.618 2.227 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC2CCOCC2)CC1 1705644957 HQTRZUBDORMMCH-UHFFFAOYSA-N 475.391 2.428 30 10 JEEE C#CCSCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC(=O)N(C)C[C@@H]1C 1705659613 BBHLRQKYMHRYOA-ROUUACIJSA-N 476.647 2.426 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CNC(=O)CCC)C1 1705699894 MWMASOCLKAYZOB-JBPLPALLSA-N 493.674 2.294 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCS(=O)(=O)CC1 1705740454 LTQJRMLEOLBMJL-KRWDZBQOSA-N 469.608 2.178 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1705896350 JWGGSPJXZYAQKX-JOCHJYFZSA-N 489.418 2.311 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1705900548 HSLPAVQDLJRCNA-UHFFFAOYSA-N 463.542 2.123 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 1705938747 IKXLPAKKEFVXPX-QFBILLFUSA-N 482.628 2.331 30 10 JEEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCO[C@H]2C(C)C)C1 1710345556 FVMICKMATWWJOU-HBMCJLEFSA-N 472.615 2.396 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCc1cccc(F)c1F)[C@@H]1CCS(=O)(=O)C1 1722368747 VQRYNGRPDSHUPF-ZWKOTPCHSA-N 464.538 2.320 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1CCCOc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1722369110 YQBZCFDTKLDSCY-VQTJNVASSA-N 458.584 2.186 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCN1CCOC[C@H]1C 1722430697 HYHZVOZVOZZUMR-LJQANCHMSA-N 463.586 2.416 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Cl)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1722445054 KBAXAKTZEMRFJH-QGZVFWFLSA-N 490.029 2.389 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](C(=O)NCCCC)C1 1722485174 QRDLZMYTXQKVHN-CABCVRRESA-N 453.385 2.271 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCN(c2nc(C)cs2)CC1 1722700631 OGBMWWJXGGBTCS-UHFFFAOYSA-N 455.563 2.402 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC[C@@H](Oc2ncccc2F)C1 1722700823 WGEHZEDKKQOUSN-GOSISDBHSA-N 451.506 2.148 30 10 JEEE CC(=O)N1CC[C@@H](CN(C)c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCCCC2=O)C1 1722758808 BKXAATHANXCSOY-QFIPXVFZSA-N 493.612 2.436 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc(CNC(=O)c2cccs2)n1CCNC(=O)c1cccs1 1723777168 ALMWHQAQNHAJLF-AWEZNQCLSA-N 457.585 2.499 30 10 JEEE CCn1cc([C@H]2CN(c3nnc(COc4ccc(C#N)cc4)n3CCC(=O)NC(C)C)CCO2)cn1 1728528670 CLZWLCYYNCGKCA-JOCHJYFZSA-N 492.584 2.438 30 10 JEEE CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](c2cccs2)N(C)C)CCO1 1729679451 HTJBKGSXIFVDTK-RBUKOAKNSA-N 465.583 2.132 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ncnn1C(C)(C)C 1740539991 STYWOSSWIDRCKF-MRXNPFEDSA-N 470.603 2.048 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)Cc1ccccc1OC 1740589724 ASDSTMLROZCZIP-NQIIRXRSSA-N 475.615 2.100 30 10 JEEE C#CCN(C)c1nnc(C(=O)NC(CC)CC)n1C[C@@H](C)N1CCN(c2ccccc2)CC1 1740598121 FJQBDGGYZPIXDV-HXUWFJFHSA-N 451.619 2.477 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1740627482 QSVLDIYFOLEKKY-YRPNKDGESA-N 464.632 2.250 30 10 JEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2cccc(NC(=O)OC)c2)CC1 1740698911 PPJQUATUPPQYSE-UHFFFAOYSA-N 462.558 2.122 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cn4ccccc4n3)n2CCN(C)[C@H](C)CC)CC1 1740707048 MQYBKTKXISXBKB-HXUWFJFHSA-N 476.629 2.213 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@]2(O)CCCC2(C)C)CC1 1740708396 OAPKLRPRJOHSRS-VWLOTQADSA-N 498.653 2.177 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1CCNC(=O)c1ccccc1F 1740725747 PNVUXLDGMJGEIZ-RPWUZVMVSA-N 455.534 2.491 30 10 JEEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1740750929 VSRPFBLEEUWRTO-OWCLPIDISA-N 456.385 2.406 30 10 JEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1c[nH]c2cc(F)ccc12 1740900690 WLGLFXZMAPOWFI-LJQANCHMSA-N 462.551 2.096 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC(S(=O)(=O)CC)CC1 1740953110 VXFYSOWYTKSXTA-INIZCTEOSA-N 479.578 2.263 30 10 JEEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCCN(C(=O)Cc2cccc(F)c2)CC1 1740959109 ZVRVLDGATALQEU-UHFFFAOYSA-N 454.550 2.268 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1740987588 WLZRVMAPXQXZJZ-CRAIPNDOSA-N 454.980 2.439 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCS(=O)CC1 1740988588 JRXAJQOCZDZICU-UHFFFAOYSA-N 490.607 2.287 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@H]1CCC[C@@H](O)C1 1744086497 GTODAYZBVFXHIK-TZIWHRDSSA-N 480.617 2.341 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(NC(=O)C2CCC2)c1 1748639801 MJPASYDRTXMWDS-HOTGVXAUSA-N 458.588 2.133 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1CC(=C)Br)[C@@H]1CCS(=O)(=O)C1 1748808361 KKUHSWXZWCKVIX-MRXNPFEDSA-N 495.399 2.498 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCCN1CCC)[C@H]1CCS(=O)(=O)C1 1748815329 OXINBVZQLIRTIT-PMACEKPBSA-N 456.616 2.150 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1CCCc1ccc(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1748817526 LRQBCAUAMNTGKT-VQTJNVASSA-N 488.610 2.059 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCCCN2CCCC)CC1 1748973076 WXBUGZAJZUGGSF-OAQYLSRUSA-N 464.618 2.335 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2CC(=O)NCCc2ccccc2)CC1 1749004060 DOVCLSQRRABGGE-IBGZPJMESA-N 450.587 2.116 30 10 JEEE COC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1)OC 1749343815 CAYXBUDTZHCSSQ-UTSGNWPNSA-N 471.558 2.164 30 10 JEEE C=CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@H]1CCCS(=O)(=O)C1 1749499101 QDVSDOPEJHXMGQ-OAQYLSRUSA-N 472.659 2.090 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1749655037 BCCQFSGKDAHZLS-DLBZAZTESA-N 491.365 2.396 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1749682044 NOOYQAYDCIFTIE-MRXNPFEDSA-N 476.006 2.082 30 10 JEEE C=CCOc1ccccc1Cn1c(-c2ccccn2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1749687654 WNIXTKOTEBXHIT-IBGZPJMESA-N 468.583 2.471 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Br)c2)nnc1N(C)[C@@H](C)CC(N)=O 1749724602 KLFPIVVVHUSOFF-ZDUSSCGKSA-N 470.393 2.009 30 10 JEEE C=CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1749741030 NNFQZKAQGHXEIS-UHFFFAOYSA-N 478.644 2.148 30 10 JEEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2ccc(OCC(F)(F)F)nc2)C1 1750379830 IAIODBQHKQYMBI-AUUYWEPGSA-N 467.427 2.250 30 10 JEEE N#Cc1ccc(OCc2nnc(N3CCO[C@H](C(F)(F)F)C3)n2CCCN2CCC(O)CC2)cc1 1750384585 GIDZKUODHHBOPH-FQEVSTJZSA-N 494.518 2.343 30 10 JEEE Cc1cnn(C[C@@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCCC(=O)N(C)C)CCO2)c1 1751724434 HQBZHTKSMSYMSF-NRFANRHFSA-N 462.558 2.096 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCCNC(=O)c1occc1C)[C@@H]1CCS(=O)(=O)C1 1760182430 FSPSMPOHYLWGEK-GOSISDBHSA-N 485.566 2.195 30 10 JEEE C#CCN(c1nnc(-c2ccccc2)n1Cc1c(CC)nn(C)c1CC)[C@@H]1CCS(=O)(=O)C1 1760185483 XYQHYJOVAQENFU-LJQANCHMSA-N 466.611 2.478 30 10 JEEE C#CCN(c1nnc(C2CCCC2)n1CCS(=O)(=O)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1760188920 RCINTDAODYWJSO-NRFANRHFSA-N 490.651 2.177 30 10 JEEE C#CCN(c1nnc(COc2ccccc2OCC)n1C[C@H]1OCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1760192666 LXMDKEUCGNTILL-WOIUINJBSA-N 488.610 2.308 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCN1CCOC[C@H]1C 1760207935 CLESECGUACDNKV-UXHICEINSA-N 456.591 2.144 30 10 JEEE C=C(Br)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1760310377 CSBLIGKNKATBJI-HOCLYGCPSA-N 495.447 2.335 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1OCC 1760337113 NNASSNMRCIKMNV-FQEVSTJZSA-N 463.604 2.460 30 10 JEEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1760352877 ZSQSBNMAJWNQPX-GOSISDBHSA-N 455.563 2.211 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H](C)N1CCCCC1)C1CC1 1760477227 TXMRZZFURULFMS-ICSRJNTNSA-N 466.652 2.030 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1CCN1CCN(C)C(C)(C)C1 1760499120 OUYWMUVZYIWOGJ-QFIPXVFZSA-N 465.646 2.490 30 10 JEEE C=CCn1c(COc2ccc(OC)cc2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1760512792 KFBBBXXEXHLZLQ-XXBNENTESA-N 468.602 2.431 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCN(C(=O)NC)CC1 1760515014 JLLIRUFTIFCAOI-UHFFFAOYSA-N 476.585 2.116 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CC(C)(OC)C1 1760517687 VJRONVMQMYQLRG-UHFFFAOYSA-N 450.337 2.244 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Br)cc2)nnc1N(C)Cc1cnn(C)c1 1760526802 UARMRCOBBVBYGX-UHFFFAOYSA-N 474.363 2.292 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1760548278 CHWWKYGVZUTRQR-DLBZAZTESA-N 495.577 2.435 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 1760555403 FIEANQWOOLIKSJ-IEBWSBKVSA-N 496.655 2.374 30 10 JEEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2C)CC1 1760560391 UQTLEBDSNYEUEQ-GOSISDBHSA-N 464.661 2.443 30 10 JEEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2c(cccc2OC)C1 1760566616 YMKXJLQBROOFGL-FQEVSTJZSA-N 493.655 2.102 30 10 JEEE COc1cc2c(cc1OC)CN(C(=O)[C@H]1CCN(S(=O)(=O)c3ccccc3C#N)C1)CC2 1858422344 RLJVCWRKVWLNCI-SFHVURJKSA-N 455.536 2.171 30 10 JEEE N#Cc1cccc(C(=O)NCc2ccc(S(=O)(=O)NC(=O)NCc3ccc(C(=O)O)cc3)cc2)c1 1858650988 ABNMUOXIHPUIJL-UHFFFAOYSA-N 492.513 2.375 30 10 JEEE C=CCOc1ccccc1[C@H]1C(C(=O)N(CCN)C(C)=O)=C(N)Oc2c1c(CCC)nn2CC 1865222643 KDGGXLJEFJXDJW-HXUWFJFHSA-N 467.570 2.449 30 10 JEEE CCN(CC)CCNC(=O)c1ccc(-n2nnc(C#N)c2NC(=O)Cc2cccs2)cc1 1870150605 NZMLRWDQBOEIES-UHFFFAOYSA-N 451.556 2.453 30 10 JEEE COc1ccc(N2C[C@H](C(=O)Nc3c(C#N)nnn3-c3ccc(OC)c(OC)c3)CC2=O)cc1 1870159780 RWXGXYFNFQFSCV-CQSZACIVSA-N 462.466 2.156 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)Nc2nccs2)cn1CCc1cnc[nH]1 1870503299 FWDFKHLGGJOPCX-UHFFFAOYSA-N 454.556 2.462 30 10 JEEE C=CCN=c1nc(N2CCN(c3ccccc3F)CC2)[nH]c(=Nc2cccc([N+](=O)[O-])c2)[nH]1 1871518013 NFMMCBITVHUTRZ-UHFFFAOYSA-N 450.478 2.431 30 10 JEEE CCN(CC)C(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 1874431398 RCNIQQXJAPVIJE-ZVBGSRNCSA-N 467.939 2.319 30 10 JEEE C=C(Br)CS(=O)(=O)NC[C@@H](C(F)F)N1CCN(C(=O)OC(C)(C)C)CC1 1877299935 UDNKNOBQGBAOGZ-LBPRGKRZSA-N 462.357 2.001 30 10 JEEE CC(C)N1C(=O)CS[C@@H](C(=O)N2CCN(c3cnsn3)CC2)[C@@H]1c1ccc(C#N)cc1 1892102213 FKFJBCVBEXPVDR-VQTJNVASSA-N 456.597 2.152 30 10 JEEE COCC#CCS(=O)(=O)CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1990708752 XLBSFWJFSILPRQ-JOCHJYFZSA-N 471.531 2.433 30 10 JEEE CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)N1CCC=C(B2OC(C)(C)C(C)(C)O2)C1 2189206866 GGPNPDSQDJSCSO-SFHVURJKSA-N 465.400 2.442 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](NS(=O)(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2255751595 CHVKOPGJUHRCNL-OAHLLOKOSA-N 452.382 2.274 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CN(c2nccc(B3OC(C)(C)C(C)(C)O3)c2F)CC[C@H]1CO 2266058080 COQVRCYUMLMCBE-HOCLYGCPSA-N 451.348 2.232 30 10 JEEE Cn1nc(C(=O)N[C@@H]2C=CCN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2267187192 UNTFACKGQPSYBP-CYBMUJFWSA-N 466.775 2.278 30 10 JEEE CCC[C@H](CNC(=O)c1c(C)nn(C)c1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2267189680 DLUWEMHSLSBBQR-OAHLLOKOSA-N 450.389 2.451 30 10 JEEE Cc1cc(C(=O)N2C[C@@H](O)CC23CN(C(=O)OC(C)(C)C)C3)oc1B1OC(C)(C)C(C)(C)O1 2281968773 ZKGFIINPRAUQDE-HNNXBMFYSA-N 462.352 2.084 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1C[C@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2 2281972113 LFWUEZMLWNBURY-USXIJHARSA-N 460.384 2.330 30 10 JEEE CCn1cc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2F)nc1B1OC(C)(C)C(C)(C)O1 2282539413 TVYWULBWBCIJPX-CABCVRRESA-N 466.363 2.280 30 10 JEEE Cn1cc(C(=O)NC[C@H]2C[C@@](F)(CNC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2282544576 FGSONERMCBYPOG-CAJLXGCNSA-N 466.363 2.092 30 10 JEEE Cc1c(C(=O)N2CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282554514 FOWLZMALNGHGDE-GDBMZVCRSA-N 462.400 2.403 30 10 JEEE Cn1ncc(C(=O)N2C[C@@H]3[C@@H](CC[C@H]3NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2282568517 DEQUNXFLHHWTOO-USXIJHARSA-N 460.384 2.095 30 10 JEEE Cc1oc(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 2282575045 XOAKTGBOEYDSAS-UAGQMJEPSA-N 464.368 2.281 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]2C[C@H]12 2282587016 HHMSINOXNPEYEA-DJIMGWMZSA-N 460.384 2.330 30 10 JEEE Cc1c(C(=O)N2C[C@H](C)N(C(=O)OC(C)(C)C)C[C@@H]2C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282592571 FFZPUXNIRIBZAA-GJZGRUSLSA-N 462.400 2.498 30 10 JEEE CC1(C)OB(c2cccc(S(=O)(=O)N3CCC[C@H](CNC(=O)C(F)(F)F)C3)c2)OC1(C)C 2282863359 QQOXRSKCICLKHR-CQSZACIVSA-N 476.326 2.065 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CC12CC2 2283059272 CZROESGADYXOKW-OAHLLOKOSA-N 458.368 2.438 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H](NC(=O)c3nccnc3B3OC(C)(C)C(C)(C)O3)C[C@H]2C1 2283062683 PMBNQWHXHNKURL-ZSHCYNCHSA-N 458.368 2.151 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CCCN(C(=O)c3nccnc3B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2283068362 JEQYZTAINWQPDT-JKSUJKDBSA-N 458.368 2.247 30 10 JEEE COC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C1 2283925815 FNMSBOHRGLLHNY-IBGZPJMESA-N 460.380 2.410 30 10 JEEE COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1NC(=O)[C@@H](CN(C)C)NC(=O)OC(C)(C)C 2283949737 CBCDJGKCRRBIIJ-QGZVFWFLSA-N 463.384 2.388 30 10 JEEE COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1NC(=O)CC1(O)CN(C(=O)OC(C)(C)C)C1 2283952885 MVKXOTZOGASYLC-UHFFFAOYSA-N 462.352 2.305 30 10 JEEE CC(C)(C)OC(=O)NC1CN(CC(=O)N2Cc3cccc(B4OC(C)(C)C(C)(C)O4)c3C2)C1 2283953148 PLOLTHPBECCLHG-UHFFFAOYSA-N 457.380 2.037 30 10 JEEE C[C@H](NC(=O)[C@@H]1[C@@H]2OCCN(C(=O)OC(C)(C)C)[C@H]21)c1nscc1B1OC(C)(C)C(C)(C)O1 2284068886 JPPCGZKAVATLCS-CSFVBSKPSA-N 479.408 2.254 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CCC(N)=O)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2284146573 HGJAVOUCNMFTBX-MRXNPFEDSA-N 465.331 2.222 30 10 JEEE CC1(C)OB(c2cnccc2C(=O)N2CC(COCc3ccccc3)(C(=O)O)C2)OC1(C)C 2284452723 JVVHNNWLEDMCPK-UHFFFAOYSA-N 452.316 2.124 30 10 JEEE COc1cccc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H](COCc1ccccc1)C(=O)O 2284470587 DEDBAWFQEDSLST-GOSISDBHSA-N 455.316 2.394 30 10 JEEE CN(C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)[C@H]1CN(C(=O)OC(C)(C)C)CC12CC2 2287007754 DFSHHHCIMIRKSH-INIZCTEOSA-N 458.368 2.247 30 10 JEEE CN(C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CN(C(=O)OC(C)(C)C)CC12CC2 2287018016 WSNFPQACLPTXJS-MRXNPFEDSA-N 460.384 2.191 30 10 JEEE CC(C)(C)OC(=O)N(CC(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1)C[C@@H]1CCCO1 2288087744 HMNHIMRTFQCMLT-HNNXBMFYSA-N 481.424 2.475 30 10 JEEE CCCCCCCCCCOC(=O)C[C@H]1C(=O)NCCN1C(=S)NC(=O)C=CC(=O)OCC 2313717214 MASZHXHKWAGJDY-SFHVURJKSA-N 483.631 2.381 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)n1 2359267595 QUMCKPGKPZQDJI-DJIMGWMZSA-N 460.384 2.330 30 10 JEEE C=CCN1C(=O)/C(=C\c2c(N3CCN(C(=O)OCC)CC3)nc3ccccn3c2=O)SC1=S 34798925 GCORCNQLMOAJKS-JQIJEIRASA-N 485.591 2.360 30 10 JEEE COc1ccc(NC(=O)CSc2n[nH]c(N/N=C/c3c(C)nn(CCO)c3C)n2)cc1Cl 59888170 FLAAJRQTPSVCOX-ZVBGSRNCSA-N 478.966 2.449 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]1CNc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 204868952 RROVCIJUMMIXDQ-DOTOQJQBSA-N 475.399 2.092 30 10 JEEE CC(C)(C)OC(=O)N1CCN(/C=N/Nc2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)n2)CC1 253495518 HNJKBCUKXQUSPJ-KOEQRZSOSA-N 490.609 2.442 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(C(=O)c4cccc(OC)c4OC)CC3)cc2C1=O 478098059 ZRSWVQMOCRAGGO-UHFFFAOYSA-N 463.490 2.084 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(N4CCN(C(=O)C5CC5)CC4)nc3)cc2C1=O 504749262 RUSWDVNLJGAOGT-UHFFFAOYSA-N 459.506 2.175 30 10 JEEE CS(=O)(=O)Cc1cccc(CNC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c1 522193853 CMQQRNXCEVXREF-UHFFFAOYSA-N 469.523 2.383 30 10 JEEE O=C(NCC#CC(=O)N1C[C@@H]2CCO[C@@]2(C(=O)O)C1)OCC1c2ccccc2-c2ccccc21 757470309 FTMCEEDQZVTEAM-QLXKLKPCSA-N 460.486 2.231 30 10 JEEE COc1ccc(CNC(=O)CSc2nnc(NN=Cc3cc(Cl)ccc3O)n2N)cc1 1084303196 LZDSMRGRGWVONB-UHFFFAOYSA-N 461.935 2.214 30 10 JEEE N#C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@H]2COCCN2CC(F)F)CC1 1136703961 GTXPKPOXMWACLI-IAGOWNOFSA-N 457.319 2.124 30 10 JEEE C=CCn1c(SCCC[C@@H](C)O)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 1188292881 WRVNHPZYZRAKLW-MRXNPFEDSA-N 452.602 2.405 30 10 JEEE C#CCN(c1nnc(C2CC2)n1CCc1ccc(OC)c(OC)c1OC)[C@@H]1CCS(=O)(=O)C1 1286389576 MSUNTLGFNHEBDH-GOSISDBHSA-N 474.583 2.051 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(F)cc2Br)n1C[C@H]1CCCN1S(C)(=O)=O 1286405046 ZUQOSBXJALPUSL-MRXNPFEDSA-N 494.390 2.344 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccc2c(c1)C(=O)NCC2 1286460298 WALZOYASQPSFRR-UHFFFAOYSA-N 483.370 2.456 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@H]2CCN(CC(F)(F)F)C2)CC1 1286493755 PQYSOZFMUYYUOF-PKOBYXMFSA-N 482.551 2.370 30 10 JEEE C=C(Br)Cn1c(Cc2c(F)cccc2F)nnc1N(C)CC(=O)N1CCOCC1 1286539824 FLPUQYGWHVEVQQ-UHFFFAOYSA-N 470.318 2.351 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1286552423 MKQIFINIGFIMFM-CYFREDJKSA-N 498.628 2.154 30 10 JEEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 1286700771 QWRQNUCFZTUPJB-WBVHZDCISA-N 462.572 2.217 30 10 JEEE C=CCn1c(-c2cc(Br)cn2C)nnc1N1CCN(Cc2nc(COC)no2)CC1 1286770030 MEUNKNULCIPNNQ-UHFFFAOYSA-N 477.367 2.084 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1Cc2ccccc2C1 1286791202 PMPCTJLDCHDRPM-IBGZPJMESA-N 468.558 2.409 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CCN(c2ncc(F)cn2)CC1 1286815363 SLLUGQKYBMLLOL-UHFFFAOYSA-N 491.980 2.455 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3ccccc3n2)nnc1N1CCCN(CC)C(=O)C1 1286816141 FWCXOUCUCGQUAH-UHFFFAOYSA-N 468.583 2.153 30 10 JEEE CCC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1293804258 FDEJUBIVCIOHEC-BWKNWUBXSA-N 465.602 2.111 30 10 JEEE CCCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1294886698 GWAIGSLQGSZUJY-SFHVURJKSA-N 473.585 2.410 30 10 JEEE C=CCOC[C@H](NC(=O)CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)C(=O)OC 1297030012 QWSPUCMRSGJSKG-KFXIKWRMSA-N 452.529 2.277 30 10 JEEE C=CCOC[C@@H](NC(=O)c1ccccc1NS(=O)(=O)c1cc(F)ccc1F)C(=O)OC 1297030607 XOLAWHQMBOXNPN-QGZVFWFLSA-N 454.451 2.240 30 10 JEEE CCOCc1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@@H](C)CN1CCN(CC)CC1 1297278844 HLMZMJFAIIZECH-QFIPXVFZSA-N 480.661 2.286 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1CCOCCS(C)(=O)=O 1300276051 FVDYHNSSRAVZSB-CYBMUJFWSA-N 473.368 2.366 30 10 JEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2nc3cc(C)ccc3o2)CC1 1300383484 AJSJMKQMRZVMOD-QGZVFWFLSA-N 471.587 2.078 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CCSC1(C)C)[C@H]1CCS(=O)(=O)C1 1300482598 GUCNWMCLLBURSK-YDHSSHFGSA-N 496.699 2.477 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccc(Cl)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1300487090 FYKPKRWKQONKKM-KRWDZBQOSA-N 474.974 2.016 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CCN(C(C)C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1300498445 KHHUGYTYGPUZRW-OAQYLSRUSA-N 458.632 2.009 30 10 JEEE C#CCN(c1nnc(COc2ccccc2CC)n1C[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1300504613 OUUJIDBXYLQBGQ-UYAOXDASSA-N 458.584 2.083 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccc(N(C)C)c(F)c2)CC1 1300732243 KYYGPBBONTUZTN-OAQYLSRUSA-N 454.550 2.349 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2ccccc2F)C1 1300762507 JQNQHKZVZYZWJS-VQIMIIECSA-N 464.588 2.264 30 10 JEEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@](O)(c2ccccc2F)C1 1300844289 KVEBRBDDFXGLJF-DNVCBOLYSA-N 450.312 2.375 30 10 JEEE C=CCCOCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1301259357 HTPQNIXRWHZQBJ-JOCHJYFZSA-N 470.593 2.344 30 10 JEEE C=CCN(CC=C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1301371792 SNAJLSZMFNVDQE-OALUTQOASA-N 485.614 2.308 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@H](C)CN1CCCC1 1303744944 FTXNOOPIHOHTAI-MSOLQXFVSA-N 459.620 2.128 30 10 JEEE CC[C@H](C)[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C)OC 1305351109 DFYAJWJVSGPCKJ-XFKSJGNHSA-N 454.579 2.220 30 10 JEEE COCCn1nnc2c1CCN(CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(F)cc1)C2 1307790222 GCAOCYOQBUKFRV-UHFFFAOYSA-N 451.506 2.340 30 10 JEEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(C(=O)OC(C)(C)C)Cc3c(C)cccc32)C1=O 1357523227 JYNZVORPBABHOB-UHFFFAOYSA-N 456.499 2.056 30 10 JEEE C#CCN(c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCOCCCO)[C@@H]1CCS(=O)(=O)C1 1358958689 UCRVXYMMGZUOIA-PKOBYXMFSA-N 492.667 2.157 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@](C)(O)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1358961064 QYUHAKZVUYAKJJ-NFBKMPQASA-N 457.600 2.298 30 10 JEEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ccc(OC)nc1 1358993420 MKBYZTGMKNZAGM-UHFFFAOYSA-N 456.554 2.367 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H](COC)OC)CC1 1359045733 RGZMUSIDAYCQGT-FQEVSTJZSA-N 459.978 2.150 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2C[C@@H](C(C)C)N2CCOCC2)CC1 1359046780 FPMTUZPFQGXDLM-QHCPKHFHSA-N 470.662 2.333 30 10 JEEE C#CCSCCn1c(-c2ccccc2Cl)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1359053574 REGQKIFJSQRDKQ-OAHLLOKOSA-N 454.021 2.483 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1359089307 GLMXWEOZGVHILQ-BDTNDASRSA-N 473.666 2.002 30 10 JEEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1359123805 OGLYBPDNWGSENG-UHFFFAOYSA-N 481.582 2.387 30 10 JEEE C=C(C)COCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1359133133 MBFWTCVDFDLBLF-FQEVSTJZSA-N 489.646 2.058 30 10 JEEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 1359214508 FONMMQMJONSYNJ-MHJFOBGBSA-N 457.623 2.012 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 1359333855 MHQVNAWHYODVII-UHFFFAOYSA-N 490.630 2.358 30 10 JEEE C=CCN(C(=O)c1cc(S(=O)(=O)CC)ccc1Br)[C@@H]1CCS(=O)(=O)C1 1360055226 PHQKBDVDLHEYIH-GFCCVEGCSA-N 450.376 2.058 30 10 JEEE C[C@]1(C(N)=O)CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2nccn2C(F)F)C1 1360796879 GDGBRXZXXAVFMZ-NRFANRHFSA-N 456.457 2.070 30 10 JEEE CCCS(=O)(=O)Nc1ccc(NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)c(F)c1 1449744543 BJZLKTPRYJNNIV-UHFFFAOYSA-N 453.517 2.403 30 10 JEEE N#Cc1ccc(OCC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)c(F)c1 1473002976 AHHCZDBSYKESNC-UHFFFAOYSA-N 457.527 2.488 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2CC2(O)CC(OCC)C2)c1 1507549639 JPSUBKACEYJMPU-UHFFFAOYSA-N 460.538 2.326 30 10 JEEE C#CCCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1507560722 NJLKYEZPFZXHRY-WIYYLYMNSA-N 492.580 2.400 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCN1CCCCCC1)[C@@H]1CCS(=O)(=O)C1 1507627617 KTEVQIWFDFUOOT-OAQYLSRUSA-N 471.627 2.456 30 10 JEEE C#CCN(c1nnc(-c2ccccc2)n1CCCOC[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1507628225 HHDCKGSSQCJFJG-PZJWPPBQSA-N 458.584 2.015 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2cccc3c2OCCCO3)CC1 1507716765 UMJNJGOKTGFPGQ-UHFFFAOYSA-N 466.586 2.161 30 10 JEEE C=C(Br)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(CCC(N)=O)CC1 1507779479 BNIVXABILIFWRZ-UHFFFAOYSA-N 486.378 2.311 30 10 JEEE C=C(Br)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1507779808 HEHSBDXGCSEURK-ZDUSSCGKSA-N 480.754 2.375 30 10 JEEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(Cc2ccc(F)cc2)CC1 1507824086 QPBRPPGYFNKGDL-KRWDZBQOSA-N 450.584 2.316 30 10 JEEE C=CCCCn1c(-c2cccnc2)nnc1N1C[C@@H]2[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1507945082 AWFPQXDDRNRSNI-CEXWTWQISA-N 488.614 2.433 30 10 JEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](O)(c2ccc(F)cc2)C1 1507968184 QSWMAPLGPMGMAY-VGOFRKELSA-N 464.563 2.010 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cc(F)cc(F)c1 1508018433 FEWYBCFCYWYWLS-IBGZPJMESA-N 467.542 2.310 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@H](CN2CCOCC2)C1 1508073284 ISOJPAPSGNAKFK-MRXNPFEDSA-N 462.957 2.198 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC(CC(=O)NC)CC1 1508098034 NBACATXNVLBOFJ-SFHVURJKSA-N 489.621 2.005 30 10 JEEE CN(c1nnc(-c2ccc(C#N)cc2)n1CCN1CCCCC1)C1CCN(S(C)(=O)=O)CC1 1517041439 HKRZXTZVKHEGGL-UHFFFAOYSA-N 471.631 2.163 30 10 JEEE CN(CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@H]2C1)CC(F)(F)F 1517291132 HDIJFWBNCGFQPL-QGZVFWFLSA-N 463.464 2.342 30 10 JEEE COC(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(C(=O)N(C)C)CCCC2)C1 1517680462 FDEZFEJBFRDLFQ-IBGZPJMESA-N 480.569 2.377 30 10 JEEE C#CCNC(=O)C1CCN(C(=O)C2CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)CC1 1519095772 PUDJUQBBXYOREU-UHFFFAOYSA-N 459.612 2.001 30 10 JEEE CCN1CCN(S(=O)(=O)c2cccc(NC(=O)[C@H](C#N)Cc3ccc(C#N)cc3)c2)CC1 1522921892 FIXPNSGRIGPTDV-FQEVSTJZSA-N 451.552 2.205 30 10 JEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(NC(C)=O)nc1 1539178281 GKRRFTUXGDCKEY-SFHVURJKSA-N 469.546 2.058 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@H](C)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1539206547 RCQOYNBOBHDWOQ-RDJZCZTQSA-N 497.463 2.393 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H]1CCOC[C@@H]1OC 1539315809 UZAIJLHHXBBXNQ-UGKGYDQZSA-N 474.565 2.189 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cccc(C(N)=O)c1 1539371222 RBHCRZZCCPNSHN-IBGZPJMESA-N 468.558 2.193 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1Cc1ccc(NC(C)=O)nc1 1539405731 JZGZNANBDYJZMI-UHFFFAOYSA-N 462.510 2.204 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](c2ccccc2OC)N2CCCC2)CC1 1539428683 VORVDQDCZLTSJK-QFIPXVFZSA-N 479.629 2.017 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CC2(OC)CCCCC2)CC1 1539459255 BCYYCYXZPOPIIP-UHFFFAOYSA-N 456.616 2.374 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCc2nc(C)c(C)s2)CC1 1539481665 MXGXLUWPZCCPNJ-LJQANCHMSA-N 456.616 2.454 30 10 JEEE C=C(C)COCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCOC[C@H]1C 1539751097 ZXSVCADKYQGLRZ-MSOLQXFVSA-N 451.568 2.404 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cc(F)ccc2F)CC1 1539847534 GOZQHBCURNXYFY-GOSISDBHSA-N 453.515 2.094 30 10 JEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(Br)cc1 1540858088 GLKHXPSYLVQDDV-INIZCTEOSA-N 470.393 2.196 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H](COC)OC)C1 1540884176 LPTTZYFAIDWIAQ-HZPDHXFCSA-N 454.369 2.489 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(CSc3ccccc3OC)n2C[C@]2(O)CCN(C)C2)C1 1540896868 VMASRNGGXALCPL-MBSDFSHPSA-N 459.616 2.427 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1540903629 DLXNYXVRWLEFOG-IIBYNOLFSA-N 481.644 2.009 30 10 JEEE C=CCSCCn1c(N2CCc3nc(O)c(C#N)cc3C2)nnc1[C@@]1(OCC)CCOC1 1540922551 RDFPETKRBJTPLS-JOCHJYFZSA-N 456.572 2.384 30 10 JEEE C=CCSCCn1c(N2CCc3nc(O)c(C#N)cc3C2)nnc1[C@]1(OCC)CCOC1 1540922552 RDFPETKRBJTPLS-QFIPXVFZSA-N 456.572 2.384 30 10 JEEE CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](CC)OC)CC1 1545710608 DMEUWOHGENAVJZ-RXVVDRJESA-N 453.591 2.278 30 10 JEEE CS(=O)(=O)N1CCC2(CC1)CN(c1ccc(C#N)c(C(F)(F)F)c1)C[C@H]2C(=O)NC1CC1 1548379677 XPBMIDCHBISSNV-SFHVURJKSA-N 470.517 2.334 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1CCCN1C[C@H](C)C[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1588045076 GRDVZHBHCYAOLZ-NJDAHSKKSA-N 470.643 2.335 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(Br)c3)n2CCCn2ccnn2)CC1 1588762093 FEQKTPLCLACUML-UHFFFAOYSA-N 455.364 2.145 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(COC)CCCCC1 1589216726 WAECAYOMUQNFOY-SIKLNZKXSA-N 479.647 2.200 30 10 JEEE C=C(C)COCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCO[C@H](CNC(C)=O)C1 1593758142 VWULVTNRLUZOKK-HXUWFJFHSA-N 452.559 2.284 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc3ccccc3o2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1595497352 YVHFOMGUHCITGI-KRWDZBQOSA-N 457.556 2.397 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1595804530 BLVQSVVTEYAAHV-FQEVSTJZSA-N 473.643 2.471 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1595805429 OVEDCCRDYOGGRP-HXUWFJFHSA-N 491.017 2.225 30 10 JEEE CCN(C)C(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1615144071 FFPIFGBIJJTQNK-DBXWQHBBSA-N 495.632 2.052 30 10 JEEE C[C@H](CC(=O)NCc1ccc(OCC(F)(F)F)nc1)/N=C1/NS(=O)(=O)c2ccccc21 1624640500 DYTGFHVJKQYYEM-GFCCVEGCSA-N 456.446 2.156 30 10 JEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1CC2(CCOCC2)Oc2ccccc21 1643510152 BGLTUAUTBCDYNF-JXFKEZNVSA-N 455.536 2.414 30 10 JEEE Cc1ccc(-c2nnco2)cc1NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1674318436 IBOHLVRTGOLROL-UHFFFAOYSA-N 452.496 2.455 30 10 JEEE COCCS(=O)(=O)c1ccc(CNC(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)cc1 1680086448 DKLZWCCFQZUMKV-NRFANRHFSA-N 456.568 2.026 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1cccnc1OCC(F)F)[C@@H]1CCS(=O)(=O)C1 1689979767 GVIFQUVSJYULSH-MRXNPFEDSA-N 467.542 2.290 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 1690092590 NLVTWTUJLLMLBQ-LJQANCHMSA-N 486.617 2.390 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCCC(=O)N(C)C)CC1 1690148380 FKNAXHTWDBANNU-UHFFFAOYSA-N 471.005 2.357 30 10 JEEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(Cn2ccnn2)CC1 1690159635 HROAKLLEZYCXOL-UHFFFAOYSA-N 485.639 2.223 30 10 JEEE C=C(Br)Cn1c(-c2cnccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1690226504 BAROAEXHOHHZSN-UHFFFAOYSA-N 452.320 2.237 30 10 JEEE C=C(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(NS(=O)(=O)CC)CC1 1690284556 HEQNEDMJQDIZEZ-UHFFFAOYSA-N 457.560 2.078 30 10 JEEE C=C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1690362649 KPUGDXQMXCZXGP-UHFFFAOYSA-N 473.599 2.243 30 10 JEEE C=CCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1690490130 PXFBVTPPAUFSBR-NRFANRHFSA-N 451.619 2.276 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 1690655055 FNFUVWTYSCNRSL-UHFFFAOYSA-N 468.402 2.137 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 1690670643 GKPYYFALRNDWEA-RBUKOAKNSA-N 467.574 2.380 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCc2nc(C)no2)C1 1690689669 JMYRFTDALHVPKE-SFHVURJKSA-N 472.571 2.454 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](C)CNC(=O)OC(C)(C)C)C1 1690709325 FRQODIGEYMUHNH-MSOLQXFVSA-N 462.595 2.343 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCC(OC[C@H]2CCOC2)CC1 1690724388 NUMPITAXEOUERM-AZUAARDMSA-N 468.620 2.142 30 10 JEEE CO[C@@]1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(CC(C)C)C(=O)[C@@H]2C)CCOC1 1697225301 AGWZMXQQUHJTNN-MHECFPHRSA-N 452.559 2.315 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CC[C@@](C)(CC)O1)[C@@H]1CCS(=O)(=O)C1 1705558543 APBWRNJVZDUQGH-SELNLUPBSA-N 479.647 2.171 30 10 JEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CC(C)(C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1705561789 UDWKROXFHFMMLT-FQEVSTJZSA-N 492.045 2.336 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC(C)(C)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 1705564690 DSRHWHIHDOJIHI-UXHICEINSA-N 463.648 2.063 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1ccc([C@H](C)O)cc1)[C@@H]1CCS(=O)(=O)C1 1705566101 XRLNABHHJHKVTK-FXAWDEMLSA-N 451.552 2.068 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1Cc1ccc(NC(C)=O)nc1)[C@H]1CCS(=O)(=O)C1 1705569652 FMVFWMHWOOBUOJ-FQEVSTJZSA-N 496.568 2.036 30 10 JEEE C#CCN(c1nnc(CSc2ccc(C)cc2)n1Cc1ccn(C)n1)[C@@H]1CCS(=O)(=O)C1 1705572270 WEGSTMWEXQLEFC-LJQANCHMSA-N 470.624 2.287 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC(=O)NCc2ccco2)CC1 1705633486 RRWGZWURGLZRIZ-GOSISDBHSA-N 466.517 2.222 30 10 JEEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1705663930 HDNFAPHBAQBLBJ-UHFFFAOYSA-N 498.701 2.077 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1705717667 PDWWTXDBGLPPCA-ICSRJNTNSA-N 474.631 2.251 30 10 JEEE C=C(C)Cn1c([C@H](C)OCCOC)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1705721710 RNTDKRZKYSMTSX-IBGZPJMESA-N 463.604 2.398 30 10 JEEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(=O)CCc2ccccc2)CC1 1705725542 HFBRWIQAMGYLNT-OAQYLSRUSA-N 471.627 2.428 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1)C(C)C 1705869568 YNOQSSMGUWWGNH-PWRODBHTSA-N 457.623 2.037 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(COC)CC1 1705936670 WDIOGTNEQNJHHF-HXUWFJFHSA-N 462.572 2.254 30 10 JEEE C=CCSCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC(=O)N(C)C[C@@H]1C 1705941007 WEBWUERYZRITES-HNNXBMFYSA-N 477.660 2.133 30 10 JEEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@H]2CCCCO2)C1 1710345861 IDMPQJDRAGKSIT-UXHICEINSA-N 458.588 2.294 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Cl)n1CCN1CCSCC1)[C@@H]1CCS(=O)(=O)C1 1722364101 XHOHIUFUYPUJDU-QGZVFWFLSA-N 480.059 2.274 30 10 JEEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc([C@@H](C)O)cc1 1722424979 HGAIOZRNASVQGD-GOSISDBHSA-N 482.610 2.426 30 10 JEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2cccc(C(=O)N[C@H](C)CC)c2)CC1 1722440244 GSLHTLYZYFMCON-HXUWFJFHSA-N 488.640 2.472 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccc3c(c2)COC3)CC1 1722440414 GDMPBOKLOQIHOT-UHFFFAOYSA-N 478.597 2.241 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2CCN(C)C(C)C)CC1 1722449220 IBVSDRMFZWTNKW-UHFFFAOYSA-N 452.603 2.472 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2cc(C)ccc2C)nnc1N1CCO[C@H](C(=O)NC)C1 1722504038 MTUAVEWWXVLIPE-RRPUWOKSSA-N 469.586 2.406 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(N(C)C(=O)OCC)CC1 1722695763 PAJRUFBWZKEPCY-UHFFFAOYSA-N 461.954 2.353 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CC(C)(C)C(=O)NC)C1 1722718768 MRTHJEINWLZIRF-LJQANCHMSA-N 468.606 2.006 30 10 JEEE CC(C)NS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CCC(C#N)CC1 1723661721 CVCSGWYWJVMBPI-UHFFFAOYSA-N 450.540 2.064 30 10 JEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](CC)C1 1740580647 FIVZBDHEYWNKOC-OKZBNKHCSA-N 482.651 2.431 30 10 JEEE C#CCN(c1nnc(-c2ccc(Br)cc2)n1CCc1cn[nH]c1)[C@@H]1CCS(=O)(=O)C1 1740618226 FHAKAQDWDMBPID-GOSISDBHSA-N 489.399 2.300 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1CCN1CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1740621373 WHANEWSNTVMMFO-OALUTQOASA-N 487.626 2.073 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCc1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 1740625713 HSQNVEVWQGCMQM-PMACEKPBSA-N 458.584 2.050 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1cc(OC)ccc1OC(F)F)[C@@H]1CCS(=O)(=O)C1 1740626227 KKLBXAFVGVFMHZ-NVXWUHKLSA-N 496.536 2.067 30 10 JEEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1CCn1cc(C)cn1)[C@H]1CCS(=O)(=O)C1 1740626493 BEGZUXKFJGTKAX-IBGZPJMESA-N 489.001 2.342 30 10 JEEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1cnccc1OC 1740657706 WJJQANGIFNJGRU-UHFFFAOYSA-N 456.554 2.367 30 10 JEEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(=O)Nc1ccc(F)cc1 1740667640 LDCLVLYNNQLLFM-UHFFFAOYSA-N 469.546 2.476 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1C[C@H](C)O[C@@H](C)C1 1740680737 MQYAWCFXXBAWJR-OALUTQOASA-N 489.642 2.485 30 10 JEEE C#CCSCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@](C)(C(N)=O)C1 1740711376 MGYBBGUDNSUAOA-QFIPXVFZSA-N 459.572 2.039 30 10 JEEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1740721455 JQJMCOPFTWCCKZ-HXUWFJFHSA-N 473.624 2.499 30 10 JEEE C=C(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN(S(C)(=O)=O)CC1 1740782544 VIHLPJVIBOZGGU-UHFFFAOYSA-N 468.624 2.050 30 10 JEEE C=C(C)COCCn1c(-c2ccc(Br)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1740787351 BIYVBSBZJSWFRA-KRWDZBQOSA-N 464.364 2.252 30 10 JEEE C=C(Cl)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N(C)CC(=O)N1CCOCC1 1740804778 DONRCBVJMMONJC-UHFFFAOYSA-N 465.938 2.018 30 10 JEEE C=CC1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(CS(C)(=O)=O)cc2)CC1 1740841185 JKPYPRNHSKJFKQ-UHFFFAOYSA-N 457.600 2.396 30 10 JEEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1740843690 NPUUNVURDBDBRE-INIZCTEOSA-N 478.594 2.483 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](C(F)F)C1 1740960579 VJRHJHIIKNQCFF-HOTGVXAUSA-N 484.548 2.370 30 10 JEEE Cn1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C(=O)C(C)(C)C)CC2)cn1 1748017170 HJMGPVGWKAZABH-UHFFFAOYSA-N 462.558 2.205 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CCN(C)C2CCCC2)c1 1748693025 VTBSJBKQARMDFX-OAQYLSRUSA-N 463.586 2.160 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1CC1(N(C)C)Cc2ccccc2C1)[C@@H]1CCS(=O)(=O)C1 1748802488 QJHGZHUHNHDTLP-OAQYLSRUSA-N 469.655 2.302 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1Cc1cnccc1OC)[C@@H]1CCS(=O)(=O)C1 1748808634 MNOWONXYVHQZDC-LJQANCHMSA-N 497.577 2.041 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1CC1([S@](C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1748810482 WZGBJFJQYLJWGR-MKTHODDLSA-N 497.042 2.145 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CCN(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1748819346 NMDUEYWEOIBMET-KRWDZBQOSA-N 465.570 2.114 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1Cc1cccnc1N1CCOCC1 1748829076 SRIGSSZQBSNHBP-UHFFFAOYSA-N 494.397 2.399 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1748944431 WQCRLHARSYQISK-GOSISDBHSA-N 456.547 2.334 30 10 JEEE C#CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1CCCCO1 1748951422 UXGKMXUKCWUNJJ-GOSISDBHSA-N 460.604 2.202 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(OC)ccc2Br)n1Cc1ccc(C(N)=O)nc1 1748951426 ZPEIRALJPMVNHH-UHFFFAOYSA-N 499.369 2.344 30 10 JEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](c2cccc(F)c2)N(C)C)CC1 1748994982 VCFFNQRCQNXDJF-QHCPKHFHSA-N 464.593 2.337 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@](C)(OC)C2CC2)CC1 1749003654 QVOVHWDPXTXAKG-RUZDIDTESA-N 499.637 2.130 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCN2CCCC(C)(C)C2)CC1 1749342020 AOIWHCIFCLBKBE-HXUWFJFHSA-N 480.679 2.135 30 10 JEEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1749678230 ZWZTYNYJRWTJRS-UHFFFAOYSA-N 495.672 2.463 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)C1 1749707453 FGLHDSPHBYKZRB-SFHLNBCPSA-N 457.550 2.437 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(NC(=O)CCC)CC1 1749727230 QJYMMRFHUOTOHL-UHFFFAOYSA-N 470.599 2.303 30 10 JEEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC2(COC)CCC2)CC1=O 1749873135 ALRWLAJPDBRWLU-UHFFFAOYSA-N 452.559 2.319 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCCN1c1cnn(C)c1 1760103035 XELFSWDQRQZCFW-AZUAARDMSA-N 496.641 2.056 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H](C)CN1CCN(CC)CC1 1760112394 GAQYQDBPTWVUOD-YADHBBJMSA-N 479.677 2.184 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1nc(C(C)(C)C)cs1 1760116541 IHISDISCBIJEIG-JKSUJKDBSA-N 480.660 2.066 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCSCc1ccccc1 1760117135 MWPZAMCSZJWQPU-HKUYNNGSSA-N 463.629 2.002 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3csc(C)n3)n2CC[C@@H]2COCCO2)c1 1760127534 CITYYYDYHFJDBI-OAQYLSRUSA-N 480.594 2.496 30 10 JEEE C#CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@H](NC(C)=O)C1 1760138091 QZERWUQYVCEOTI-NRFANRHFSA-N 450.591 2.361 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1Cc1ccccc1CN1CCCC1=O)[C@@H]1CCS(=O)(=O)C1 1760186032 JHHWGPVSLAZPJW-JOCHJYFZSA-N 483.638 2.274 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(CC)(CC)NC(=O)OC(C)(C)C)CC1 1760259984 JWKOQNSMXJADHH-SFHVURJKSA-N 473.622 2.068 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCCCOc2ccc(F)cc2)CC1 1760265136 OVYJDYQBJKGFAY-UHFFFAOYSA-N 496.587 2.478 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H](C)N2CCC(C)CC2)CC1 1760269562 LNZIXLPGZCONBD-IRLDBZIGSA-N 456.635 2.258 30 10 JEEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCN(C[C@H]2CCCO2)CC1 1760301734 INQRJBDYWWLSSA-DLBZAZTESA-N 458.401 2.212 30 10 JEEE C=C(C)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC[C@@H](CC(N)=O)C1 1760347084 BOSVSPNRBFIVSD-NRFANRHFSA-N 451.619 2.311 30 10 JEEE C=C(Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C)c1ccccc1 1760363073 DFYVHYJNCMOJPT-JBACZVJFSA-N 466.586 2.310 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](Cc2ccc(C#N)cc2)C1 1760514422 FKAATKIKNLANON-NRFANRHFSA-N 461.570 2.147 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 1760555720 LJMFSTQVNSVDLG-QGZVFWFLSA-N 483.635 2.266 30 10 JEEE CC(C)(C)OC(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1760790599 BIOCPVIFVFQYGQ-MSOLQXFVSA-N 467.530 2.276 30 10 JEEE CCOCc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CC1(S(C)(=O)=O)CCC1 1766400472 FNWJHZQWMFWWAN-UHFFFAOYSA-N 476.578 2.119 30 10 JEEE CCO[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CC#N)c1ccccc1 1767375243 BUSOYCWGNZDMDV-MISYRCLQSA-N 476.603 2.127 30 10 JEEE CN1CCCC(C)(C)[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1769064034 CSMGZXSAVRHWPS-NRFANRHFSA-N 485.658 2.409 30 10 JEEE N#Cc1cccc(C(=O)N[C@H]2CCN(C(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)C2)c1 1858300743 OTUAFAJIVKTKQB-NRFANRHFSA-N 466.563 2.377 30 10 JEEE N#Cc1nnn(-c2cccc(Cl)c2)c1NC(=O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1870155499 PXTBXPONKNVYRL-UHFFFAOYSA-N 465.813 2.325 30 10 JEEE C=CCn1cc(OCC(=O)N=c2nc3nc(C)cc(C)n3[nH]2)c(=O)cc1CN(C)Cc1ccccc1 1870428847 QDRQSQMVLNJXKI-UHFFFAOYSA-N 487.564 2.160 30 10 JEEE C#CCOc1cn(C[C@H](c2ccccc2)N2CCCC2)c(CN2CCN(C(C)=O)CC2)cc1=O 1870563996 XCTMKMVGJKPBIO-RUZDIDTESA-N 462.594 2.362 30 10 JEEE C=CCN1C[C@H](C(=O)N2CCC(C(=O)NCCc3ccc(OCC)c(OCC)c3)CC2)CC1=O 1872917999 PZGQUOKAXBPJEM-OAQYLSRUSA-N 471.598 2.416 30 10 JEEE CC(=O)NCc1nnc(SCC(=O)Nc2ccccc2C)n1/N=C/c1ccc(O)c([N+](=O)[O-])c1 1874431458 NKAOZVSEXAWZIM-AUEPDCJTSA-N 483.510 2.449 30 10 JEEE CC(C)N1C(=O)CS[C@H](C(=O)N2CCC([C@H]3CNC(=O)C3)CC2)[C@@H]1c1ccc(C#N)cc1 1889333192 NIWVNXSYPWLLQL-OIBXWCBGSA-N 454.596 2.326 30 10 JEEE Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CCC(=O)N1CCC[C@@H](COc2cc(C#N)ccn2)C1 1891392496 WSSJAPNAPSFCOR-RTWAWAEBSA-N 485.610 2.376 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2247880727 KMHHRRWKQGKGBG-CHWSQXEVSA-N 458.411 2.239 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)CCCO2)C1 2255186094 PAZTVHNDBVXCDV-WCCYLALTSA-N 451.564 2.435 30 10 JEEE CC1(C)OB(c2cc(C(=O)N3CCC[C@@H](CNC(=O)OCc4ccccc4)C3)[nH]n2)OC1(C)C 2255656564 CIBQPRARNBRVLI-SFHVURJKSA-N 468.363 2.488 30 10 JEEE CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1ccsc1B1OC(C)(C)C(C)(C)O1 2255802178 VPVMRKIAEWXJEK-GJZGRUSLSA-N 452.382 2.411 30 10 JEEE CC(C)(C)OC(=O)N[C@H](C(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(C)(C)O 2256673493 SQAAIJVKPVOYAI-OAHLLOKOSA-N 454.398 2.328 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NC[C@@]2(F)COCCN(C(=O)OC(C)(C)C)C2)C1 2266521291 BXDXARJEXSWYFE-HESYMAFGSA-N 469.554 2.385 30 10 JEEE CC1(C)OB(c2cnccc2C(=O)NC[C@H]2CN(C(=O)OCc3ccccc3)CCO2)OC1(C)C 2266998120 PXFVMXDLYFUKPW-IBGZPJMESA-N 481.358 2.148 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@](C)(CNC(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)C1 2266999888 PYWWHHBUOHVCQC-OAQYLSRUSA-N 467.397 2.198 30 10 JEEE Cn1ncc(C(=O)N2CCC[C@H](CNC(=O)OCc3ccccc3)C2)c1B1OC(C)(C)C(C)(C)O1 2267006613 OSUVGFHVVQYECZ-LJQANCHMSA-N 482.390 2.498 30 10 JEEE CO[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)N(C(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2267165073 ZUXMEYFWDOTZAJ-KBPBESRZSA-N 467.397 2.197 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)[C@@H](CO)C1 2267277321 NPRGNOKPOREOKN-CABCVRRESA-N 466.409 2.395 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@H](C)NC(=O)OC(C)(C)C 2267470071 FFAIBVZBOBLJMO-AWEZNQCLSA-N 470.397 2.186 30 10 JEEE Cn1cc(C(=O)N2CC3(CC(NC(=O)OCc4ccccc4)C3)C2)nc1B1OC(C)(C)C(C)(C)O1 2267503931 LIHXYLVVHSGYAR-UHFFFAOYSA-N 480.374 2.250 30 10 JEEE CC(C)(C)OC(=O)N1CCC(O)(CNC(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)CC1 2267561796 UKDPMKYWQZBTES-UHFFFAOYSA-N 450.341 2.071 30 10 JEEE C=C(CS(=O)(=O)NC[C@@H]1C[C@@H]2OCC[C@H]2N1C(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2267726485 BLQFKQREUCJQNL-BBWFWOEESA-N 472.413 2.260 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C12CCC2 2268709920 FPHFMAOKIJXOQI-CYBMUJFWSA-N 464.397 2.377 30 10 JEEE Cc1nc(C(=O)N[C@@H](CN(C)Cc2ccccc2)C(=O)O)c(B2OC(C)(C)C(C)(C)O2)s1 2269083762 AZDZFWJDUDCQFX-INIZCTEOSA-N 459.377 2.066 30 10 JEEE CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1c(F)cccc1B1OC(C)(C)C(C)(C)O1 2281769145 ABXIOTVLTFWDCF-IRXDYDNUSA-N 464.343 2.489 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC12CC(CN1C(=O)OC(C)(C)C)C2 2281957621 AJNSZUKTNSBFFG-UHFFFAOYSA-N 460.384 2.332 30 10 JEEE CCc1nn(C)c(C(=O)N2CC(N(CC)C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2281984459 FXRNJRQMQGHQIP-UHFFFAOYSA-N 462.400 2.363 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCC(C)(CNC(=O)OC(C)(C)C)CC2)n1 2282035321 TYYPVCNUMVPVFS-UHFFFAOYSA-N 462.400 2.486 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NCCOCCN(C)C(=O)OC(C)(C)C 2282127648 AISWBBDMTPMWEN-UHFFFAOYSA-N 465.400 2.421 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2CN(C(=O)c3ncncc3B3OC(C)(C)C(C)(C)O3)C[C@@H]21 2282187373 IGZHRFAWBCLENL-YQQAZPJKSA-N 458.368 2.151 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](O)CN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1F 2282396640 CHZSQWCXXBKYSH-JKSUJKDBSA-N 464.343 2.225 30 10 JEEE Cc1nn(C)c(C(=O)N2C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@H]2C)c1B1OC(C)(C)C(C)(C)O1 2282559238 OALFXILEJIPXCS-HUUCEWRRSA-N 462.400 2.498 30 10 JEEE Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H](O)C[C@@H]1CNC(=O)OC(C)(C)C 2282650757 QQTIGSFOSOPZPO-SJORKVTESA-N 460.380 2.394 30 10 JEEE COc1ccc(S(=O)(=O)N2CC[C@H]2CNC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2282882311 JVVKTPBAUJCPMR-HNNXBMFYSA-N 482.408 2.282 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C1 2283953554 UYJNAMFGDZZMAY-MOPGFXCFSA-N 458.364 2.198 30 10 JEEE C[C@@H](NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C)c1nscc1B1OC(C)(C)C(C)(C)O1 2283960894 CNHZJQIOFTWRDX-ZBFHGGJFSA-N 480.440 2.171 30 10 JEEE CN(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCc1ccccc1B1OC(C)(C)C(C)(C)O1 2283961140 BMMVQQXHQBSTHP-LJQANCHMSA-N 461.412 2.099 30 10 JEEE C[C@@H]1OC2(C(=O)NCc3cnc(B4OC(C)(C)C(C)(C)O4)s3)CC1(NC(=O)OC(C)(C)C)C2 2284121666 FBTKNTYSNBNMGQ-MFBUALDNSA-N 479.408 2.273 30 10 JEEE C[C@H]1CN(C(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)CC2(CN(C(=O)OC(C)(C)C)C2)O1 2288576505 QVDFLNZOLOWRRE-AWEZNQCLSA-N 479.408 2.293 30 10 JEEE CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)NCCc1c(F)cccc1B1OC(C)(C)C(C)(C)O1 2289664465 MGSBDTIDWXMMAS-GOSISDBHSA-N 466.359 2.059 30 10 JEEE COCCNC(=O)N1CCC([C@@H]2CN(c3ccc(C#N)c(C(F)(F)F)c3)C[C@@H]2C(N)=O)CC1 2297650980 XASQFBGRANPFLY-ROUUACIJSA-N 467.492 2.183 30 10 JEEE COCCc1nnc(SCC(=O)NCc2ccco2)n1N=Cc1cccc(OC)c1OC 2331273668 LXMFSZBPBCEWBZ-UHFFFAOYSA-N 459.528 2.368 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2CC[C@H]1[C@H]2NC(=O)OC(C)(C)C 2359267715 XXONFZSPFBUAQV-ZOBUZTSGSA-N 460.384 2.155 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C2)n1C 2362331356 HBHQQMNIXIBEIW-GASCZTMLSA-N 462.400 2.498 30 10 JEEE COc1[nH]c(=NCCC2(OC)CN(C(=O)OC(C)(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2365344535 PCBFMHQJZBHPOE-UHFFFAOYSA-N 463.384 2.249 30 10 JEEE COC(=O)c1ccc([C@@H]2/C(=C(/O)c3cccs3)C(=O)C(=O)N2[C@@H]2CCS(=O)(=O)C2)cc1 102704241 PUAHSSGMDPQGAD-MCRVGECQSA-N 461.517 2.144 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)O[C@@H](C)C(=O)N(C)C[C@H]3COc4ccccc4O3)cc2C1=O 853262476 XVAMYPCQTRAQEV-RDJZCZTQSA-N 464.474 2.312 30 10 JEEE CCOc1ccc(NC(=O)CSc2nnc(NN=Cc3ccc(C(=O)OC)cc3)n2N)cc1 1083994733 WQCDBIZMMLBYEO-UHFFFAOYSA-N 469.527 2.354 30 10 JEEE COC(=O)c1ccc(NC(=O)CSc2n[nH]c(NN=Cc3cc(OC)ccc3O)n2)cc1 1084162200 BGJFYPDRIOLLDI-UHFFFAOYSA-N 456.484 2.482 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@H]1CCS(=O)(=O)C1 1286289945 NGLLIYUNGOHEAM-IAGOWNOFSA-N 468.583 2.129 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1ccccc1COCC)[C@@H]1CCS(=O)(=O)C1 1286386901 JJSLFGKFQPMDRU-HXUWFJFHSA-N 453.568 2.485 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CCSC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1286393138 OXCWNQZODMMJFS-HNNXBMFYSA-N 459.519 2.144 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@@](C)(O)c2cccs2)CC1 1286491212 ITEHYDDXLQSBTH-XMMPIXPASA-N 464.595 2.199 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2CCCN2C[C@H](C)O[C@H](C)C2)CC1 1286494800 RLHLZNCRDLSRCB-OYRHEFFESA-N 470.662 2.476 30 10 JEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](CN2CCCC[C@@H]2C)C1 1286495573 AAEMBISWPUQRQK-UFYCRDLUSA-N 482.720 2.346 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(OCC(N)=O)CC1 1286557679 JWBVXSQHLWBFSW-WZONZLPQSA-N 457.550 2.460 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccnc2)n1CCN1CCCS1(=O)=O 1286742271 OTIVCKCTCDTDHG-UHFFFAOYSA-N 463.567 2.440 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1286792420 XKLTUSXEIXEMDM-CYFREDJKSA-N 455.559 2.242 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 1286820954 WKZZJIYNYDQDFC-INIZCTEOSA-N 483.660 2.312 30 10 JEEE C[C@@H]1OCC[C@@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(C)(C)C)CC1 1291322993 DMAHAYLVYXZFTN-MHECFPHRSA-N 454.575 2.189 30 10 JEEE C[C@@H]1OCC[C@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](C(F)(F)F)C1 1291323058 FODGITHSRWLULK-VHFSOBRXSA-N 467.448 2.036 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)Nc3ccccn3)n2CCc2nccnc2C)c1 1300331747 PSFCIKCBLIMOPW-UHFFFAOYSA-N 495.547 2.323 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H]1OCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1300483263 KAQUDVGSMHYKMA-HGHGUNKESA-N 474.583 2.014 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(OC)c(O)c1)[C@@H]1CCS(=O)(=O)C1 1300489323 MDMJDBZMJFOWFH-QGZVFWFLSA-N 487.969 2.383 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1300504920 WAMUXJYEDXXASI-GUDVDZBRSA-N 495.646 2.259 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@]2(C)CCO[C@@H]2C2CC2)CC1 1300711234 UFTHFKAINYYQCD-RLWLMLJZSA-N 484.645 2.368 30 10 JEEE C#CCSCCn1c(COc2ccc(Cl)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1300769388 FXZHXJDNFXUWPO-UHFFFAOYSA-N 484.047 2.349 30 10 JEEE C#CCSCCn1c(COc2cc(C)ccc2C)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1300770147 OHMLPMQVAKROAN-LJQANCHMSA-N 454.600 2.396 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](OCC(C)C)C1 1300885391 PFTYHTQBCJEFGI-ZRNYENFQSA-N 452.621 2.413 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C2CCOCC2)CC1 1301502047 BBXURDHISODEMK-UHFFFAOYSA-N 458.994 2.126 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC(C)CC1 1301567845 AHXUVKNYNZESBZ-UHFFFAOYSA-N 480.660 2.384 30 10 JEEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ccnc(C)n2)CC1 1301594534 GJZZEGPBTZVDHJ-UHFFFAOYSA-N 465.587 2.270 30 10 JEEE CCn1nc(-c2nnc(N(C)[C@@H](C)CC#N)n2CCS(=O)(=O)CC2CC2)c2ccccc2c1=O 1313958288 ABDIJAZQVMNHOI-INIZCTEOSA-N 483.598 2.238 30 10 JEEE CNC(=O)[C@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCCO[C@@H](C)C2)C1 1314965072 ICVSQPOKDIBNSY-UQBPGWFLSA-N 465.602 2.280 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2Cc2ccc(N(C)C)nc2)c1 1358902543 RIJNPAVJTSCRHB-FQEVSTJZSA-N 459.554 2.348 30 10 JEEE C#CCCCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1358914616 AAHUOXJZFDTWCC-UHFFFAOYSA-N 469.615 2.180 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CCCOc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1358965324 SJIBJEVWOUPICY-NRFANRHFSA-N 483.569 2.499 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H]1CCN(CC)C1 1358991944 UVZLHJFUOCPCRG-FQEVSTJZSA-N 457.582 2.480 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CC2CCN(CCC(C)C)CC2)CC1 1359044042 SHHZYBKKPKDHQS-UHFFFAOYSA-N 480.661 2.403 30 10 JEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2c(Cl)cccc2C1 1359049794 WLUFBHHYESCIFP-CQSZACIVSA-N 454.021 2.471 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(C)C)C(=O)C1 1359103109 KBNVBHJANPGKRV-OFNKIYASSA-N 455.607 2.426 30 10 JEEE C=CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1359217422 ZARYXXTZRAHSJO-SJORKVTESA-N 469.608 2.176 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1C[C@H](c2ccsc2)O[C@H](C)C1 1359331362 WNRQGXZSOZBVSN-CRAIPNDOSA-N 462.601 2.307 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCCc2ccccc2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1359334926 VBFINIFZRRXQJJ-LEWJYISDSA-N 471.627 2.302 30 10 JEEE C=CCn1c(S)nnc1Cc1csc(NC(=O)Cc2cccc(OCC(=O)NC)c2)n1 1442966207 PUVPFFGDGXTEJL-UHFFFAOYSA-N 458.569 2.106 30 10 JEEE C#CCN(C(=O)c1ccc(F)c(S(=O)(=O)NC)c1)C1CCN(C(=O)OC(C)(C)C)CC1 1471881718 CEGJLDXZZPMONY-UHFFFAOYSA-N 453.536 2.209 30 10 JEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 1507564415 PNSOYFWCOJAPPS-SFHVURJKSA-N 475.640 2.316 30 10 JEEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 1507593692 UIRLQBOHXPCAPW-UHFFFAOYSA-N 481.626 2.454 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1Cc1cccnc1OCC)[C@@H]1CCS(=O)(=O)C1 1507628021 MSYSNLBQBDJMKK-GOSISDBHSA-N 486.985 2.462 30 10 JEEE C#CCN(c1nnc(COc2ccccc2CC)n1Cc1cc(C)on1)[C@H]1CCS(=O)(=O)C1 1507639303 KEAJXANFOCOGEY-FQEVSTJZSA-N 469.567 2.391 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(C(=O)N3CCCC3)n2Cc2nc(C)c(C)s2)n1 1507714233 KBPVXTNJMBQBSL-UHFFFAOYSA-N 482.614 2.118 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2Cc2cccc(CO)c2)CC1 1507717374 ABJGKSVQQFPVOG-UHFFFAOYSA-N 469.387 2.342 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccccc3F)n2C[C@@H](C)CN2CCN(CC)CC2)CC1 1507723102 UZUBFYGYFRMHDS-NRFANRHFSA-N 453.610 2.113 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(OC)c(F)c2)CC1 1507728523 ZMYMKHCGMZZBMN-UHFFFAOYSA-N 468.558 2.221 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H](C)N2CCC[C@H](C)C2)CC1 1507733738 KJDVOXPWZHLJLX-VQTJNVASSA-N 485.677 2.283 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1CCNS(=O)(=O)c1ccccc1 1507762365 YJHNRCBHQDFANC-RPWUZVMVSA-N 487.626 2.289 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc2c(c1)OCO2 1507804478 KBAFZHXCKCCIJC-VPWXQRGCSA-N 477.587 2.235 30 10 JEEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2nccc(OC)n2)CC1 1507910340 OCZBOAKYUWWTMO-UHFFFAOYSA-N 454.579 2.242 30 10 JEEE C=CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1508061249 MFADJWGQAUJZDX-QGZVFWFLSA-N 482.651 2.439 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCOc2ccccc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1508142339 BSBZDKCZAOGMGC-UHFFFAOYSA-N 494.577 2.035 30 10 JEEE CNC(=O)CC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2ccn(C)n2)CC1 1517554804 HICRJGCXRACNSY-UHFFFAOYSA-N 462.558 2.057 30 10 JEEE CO[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)C(C)(C)C 1517861011 APNDGRMZBOQSFV-MJGOQNOKSA-N 461.588 2.413 30 10 JEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1539101858 KUOOWKQQAPUNQE-IBGZPJMESA-N 455.584 2.353 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1CC(C)(C)OCC)[C@H]1CCS(=O)(=O)C1 1539225863 RBPXHZCLTZEZTN-KRWDZBQOSA-N 451.618 2.076 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H](C)Oc2ccccc2F)n1CC1CCS(=O)(=O)CC1 1539396882 SWZZEGJJDWREGQ-QGZVFWFLSA-N 464.563 2.468 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCCN(CC)C(=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1539639645 AOQJNDSYBBGWOE-ZCVJKFOLSA-N 461.607 2.359 30 10 JEEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1539722633 QCHPBAALVRAUCH-UHFFFAOYSA-N 457.535 2.244 30 10 JEEE C=CC1CCN(c2nnc(CNC(=O)c3cccs3)n2CC2(CS(C)(=O)=O)CC2)CC1 1539898788 YNTBVRVSPMCKHH-UHFFFAOYSA-N 463.629 2.497 30 10 JEEE N#Cc1ccc(N2C[C@@H](C(=O)N(Cc3ccccc3F)[C@H]3CCS(=O)(=O)C3)CC2=O)cc1 1540022484 DKBJAWIUSGKBBX-ICSRJNTNSA-N 455.511 2.266 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC(C)(C#N)CC1 1540865147 WVMJZKYUNWXBAI-UHFFFAOYSA-N 454.531 2.403 30 10 JEEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCSC(C)(C)C1 1540870653 SFBVSQIHUFWOLR-UHFFFAOYSA-N 456.620 2.086 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N(C)[C@@H](C)c1ccc([S@](C)=O)cc1 1540901469 FAMXLBPCJVAELT-ZYSBOAIWSA-N 474.612 2.271 30 10 JEEE CCNC(=O)C1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)CCC1 1547754063 DAIAQCJCKNEDHY-LJQANCHMSA-N 470.599 2.137 30 10 JEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCN(CC(C)(C)O)[C@H](C)C1 1556220297 CCPNCBRANZUEAJ-CQSZACIVSA-N 454.365 2.402 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCCNC(=O)c1cccc(O)c1 1587568435 QCXGMRZEGDTDFH-MHECFPHRSA-N 455.559 2.302 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 1588035669 WQTNLOJWESRYAV-UGKGYDQZSA-N 479.002 2.259 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@](C)(O)c1ccsc1)[C@H]1CCS(=O)(=O)C1 1588055484 WKYNQJTYBVGGOD-BBTUJRGHSA-N 464.613 2.116 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@H]2CCCCS2(=O)=O)CC1 1588752512 SXLWLMICOIWSNS-RTBURBONSA-N 475.590 2.280 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@H]2CC=CCC2)CC1 1588761960 CQVQBTQMHFIQIO-FQEVSTJZSA-N 468.627 2.307 30 10 JEEE C#CCSCCn1c(N2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1589126211 XNXYQARAQZLPIK-TWRVUUBYSA-N 464.632 2.458 30 10 JEEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1589442840 DYDSGSMMLFETAF-DNVCBOLYSA-N 454.369 2.083 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1589482207 HMSKQOFFFLJBGN-IFMALSPDSA-N 484.649 2.070 30 10 JEEE C=C(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1593620966 KAXJIBMBPWKMND-QZTJIDSGSA-N 479.585 2.136 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H]1CCCCO1 1594497782 MGTFMWXOBJBEPN-MSOLQXFVSA-N 455.625 2.219 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1=CCCOC1 1595085430 VNVDYHYCVKOXDL-QGZVFWFLSA-N 456.572 2.299 30 10 JEEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCO[C@H](c2cccc(Br)c2)C1 1595594721 OMTPITTUIDNFEZ-KRWDZBQOSA-N 464.364 2.457 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1595776539 BEBFIUSDWVRUTL-HNNXBMFYSA-N 473.020 2.213 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1595785164 RVPPFGXJUFNZBY-QGZVFWFLSA-N 463.579 2.378 30 10 JEEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C[C@@H](C(F)(F)F)O1 1612909137 HQBKLYWIDPQZEZ-HFTRVMKXSA-N 498.531 2.254 30 10 JEEE CCS(=O)(=O)C[C@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1cc(C)nn1C 1617283583 BSMFKQUMXCQHEK-KRWDZBQOSA-N 471.587 2.078 30 10 JEEE C=C(CCC(=O)OC)C(=O)N1CCC[C@H](CNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)C1 1636458108 XJYDUDSLQKOYLT-QZTJIDSGSA-N 451.564 2.250 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)N2CC(c3ncc(Br)cn3)C2)ccc1F 1644119435 DTZFRCDKHXAYRI-UHFFFAOYSA-N 455.309 2.082 30 10 JEEE C=CCN1CC[C@H](N(C)CC(=O)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)C1=O 1645434650 DYEPGPOCPSMRJY-INIZCTEOSA-N 459.900 2.121 30 10 JEEE C[C@H](NS(=O)(=O)c1ccc(C#N)c(Br)c1)[C@@H](C)C(=O)Nc1ncccc1O 1656477750 HTFWZUYFOKAGOB-MNOVXSKESA-N 453.318 2.363 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1C[C@H]2C[C@H](NC(=O)OC(C)(C)C)C[C@@]2(C(=O)OC)C1 1686315633 UIIQOMYNOGYAQE-SOWBTEIWSA-N 451.564 2.456 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCOC)[C@@H]1CCS(=O)(=O)C1 1689979619 FDVQZZJOHSZASZ-NVXWUHKLSA-N 452.964 2.345 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1689982272 KHBIFZAEHPNHGK-HXUWFJFHSA-N 473.555 2.297 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H](c1ccsc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1689986685 VGGICSVSDBRVNV-ICSRJNTNSA-N 470.624 2.331 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCn1cccn1)[C@H]1CCS(=O)(=O)C1 1689998702 UFNNCCUBXLKJCM-XUVXKRRUSA-N 474.631 2.110 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC(=O)NCc1ccco1 1690043483 CLYAODCQBRZASS-UHFFFAOYSA-N 497.559 2.437 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2C[C@H]2CN(CC(C)C)CCO2)CC1 1690150408 GNTSMBAJXPVHLQ-JOCHJYFZSA-N 484.670 2.253 30 10 JEEE C=CCN(CC=C)c1nnc(-c2cc(Br)c[nH]2)n1CC1(O)CCS(=O)(=O)CC1 1690585543 NZKQXOQORKGXLK-UHFFFAOYSA-N 470.393 2.154 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1690662272 WYHVCKLQUOEPOE-MRXNPFEDSA-N 481.022 2.009 30 10 JEEE C=CCOc1ccccc1Cn1c(CN2CCCC2=O)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1690683446 LBIGKUVDJVRBQS-HXUWFJFHSA-N 487.626 2.417 30 10 JEEE Cc1nn(C)c(N2CCN(c3nnc(CC(C)C)n3Cc3nccn3C(F)F)CC2)c1C#N 1693406001 HEYZHFAZBCQXNN-UHFFFAOYSA-N 458.521 2.357 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2CCNC(=O)C(C)(C)C)c1 1705506936 MIBWMDSWEWCEGI-LJQANCHMSA-N 466.586 2.391 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1Cc1ncccc1C)[C@H]1CCS(=O)(=O)C1 1705560258 FNAJAFUCPWRZGZ-IBGZPJMESA-N 451.552 2.332 30 10 JEEE C#CCN(c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1705564695 CFCQNYCAEDJQDW-MJGOQNOKSA-N 468.583 2.177 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@](C)(O)c1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 1705567003 SCZYWFOJLJCLSJ-LLBVYWAGSA-N 493.029 2.360 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CCCCN1CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1705569235 FGLIBDRNSNMXPL-FYYLOGMGSA-N 484.670 2.403 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCOC(C)C)[C@@H]1CCS(=O)(=O)C1 1705572142 RYICBBJHLILCKG-MOPGFXCFSA-N 495.646 2.402 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCN1CCC(C)CC1 1705576921 UBCCUUNZZHRBQF-UHFFFAOYSA-N 468.627 2.000 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCNC(=O)[C@H](C)CCC 1705583171 RTCFQSBADPCQCH-WOJBJXKFSA-N 486.617 2.212 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(C)nc3ccccc23)n1CCCn1cc(CO)nn1 1705590812 XDRNUNRZTMDGKC-UHFFFAOYSA-N 454.538 2.439 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCc2cc(Br)ccc2F)CC1 1705632485 RLGXIRLVUIQBRP-UHFFFAOYSA-N 477.382 2.316 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)CC1 1705641363 CDAVOLDCHCPPJY-HXUWFJFHSA-N 466.586 2.169 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H](c2ccsc2)N(C)C)CC1 1705644014 WZHZTWHNSZGZGX-TYPHKJRUSA-N 458.632 2.122 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(OC)cc3)n2CCn2ccnc2C)CC1 1705651196 NIVIWMBRKZMNJW-UHFFFAOYSA-N 477.569 2.037 30 10 JEEE C=C(Br)Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1705691784 OUTWDJLEOSWTKF-KSSFIOAISA-N 464.412 2.205 30 10 JEEE C=C(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1705722952 QWECXILJVUEZLN-UHFFFAOYSA-N 479.603 2.407 30 10 JEEE C=C(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1705724555 XHJIRSDLAKNTCC-UHFFFAOYSA-N 485.614 2.018 30 10 JEEE C=C(C)COCCn1c(Cc2c[nH]c3ccccc23)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1705737743 AWZRPOPQQYZORX-WIYYLYMNSA-N 453.543 2.303 30 10 JEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](CC)NC(=O)OC(C)(C)C)CC1 1705763553 XWGWOQNZZLXVEE-HOTGVXAUSA-N 456.613 2.348 30 10 JEEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(c2nccs2)CC1 1705829771 BVXUQQQVIPVQOT-SFHVURJKSA-N 496.659 2.044 30 10 JEEE C=CCN(c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(S(C)(=O)=O)CC1)C1CC1 1705854045 HSFBFEDJJIPOMR-KRWDZBQOSA-N 481.619 2.319 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1705896321 IWIKECFDOZESKQ-MRXNPFEDSA-N 467.530 2.340 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 1705903428 VVDYJBSGQSKSDX-IBGZPJMESA-N 455.519 2.057 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](COC(C)C)C1 1705912308 GBVNCHKVTGPDHS-WOJBJXKFSA-N 455.559 2.473 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCOc2ccccc2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1705937658 AKUAGLDZHYIVFC-FQEVSTJZSA-N 490.626 2.275 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cccc(NC(=O)OC)c1 1708756756 HEHIKYMMJDMZCJ-SFHVURJKSA-N 455.519 2.152 30 10 JEEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C[C@H]2CCOC2)CC1 1722332527 MGQKMXGMULXPDX-RTWAWAEBSA-N 488.633 2.158 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccccc1OCC(C)C)[C@@H]1CCS(=O)(=O)C1 1722357942 BHNUWKSLSMDFEK-HXUWFJFHSA-N 487.626 2.126 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CCc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1722359895 XACJIIYLDPZAEK-FQEVSTJZSA-N 475.590 2.205 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1Cc1ccoc1)[C@@H]1CCS(=O)(=O)C1 1722365968 QEUNNZZODKAGEK-MRXNPFEDSA-N 478.372 2.314 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(C)(C)OCC 1722427204 RNQAYJNFJAFDJP-GOSISDBHSA-N 465.595 2.488 30 10 JEEE C#CCSCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@@H](NC(C)=O)C1 1722453041 VPGSIGZJSFZGKL-GOSISDBHSA-N 489.671 2.018 30 10 JEEE C=C(Br)Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1722477675 JLUUBPBMTANPOY-DLBZAZTESA-N 490.406 2.381 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](CCOC)C1 1722588408 SBMLLTKNGIDHKR-ROUUACIJSA-N 455.625 2.076 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1c(C)nn(C)c1C 1722676962 PVDLZSZHDVCLAF-GOSISDBHSA-N 458.588 2.407 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cc(C)nn1C 1722682247 YPSRDLZKNCDBDJ-LJQANCHMSA-N 475.594 2.316 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC(=O)N1CCOCC1 1722688998 DLXADBUIDRXUGA-HDICACEKSA-N 460.579 2.086 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 1722696921 UWEZMRXEZCNAGO-UHFFFAOYSA-N 457.579 2.422 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCN(C(=O)OCC)CC1 1722697050 HQHSWGAXXNKCAI-UHFFFAOYSA-N 465.514 2.181 30 10 JEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1722739547 WQGYFCKJLOSQOL-NRFANRHFSA-N 486.667 2.293 30 10 JEEE CC(C)(C)S(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@](F)(C#N)C1 1723018797 DOBICBSWJFVJCK-OAQYLSRUSA-N 460.535 2.384 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1CCC(=O)NC1CCCCC1 1723909363 IEZLFALMJALVDA-KRWDZBQOSA-N 487.630 2.235 30 10 JEEE CCS(=O)(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2snnc2C)CC1 1729180810 AZVRHACNSZPGDM-UHFFFAOYSA-N 457.585 2.429 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2Cc2ccc(NC(C)=O)nc2)c1 1740563257 RPDRUTSAFDLROZ-UHFFFAOYSA-N 481.520 2.193 30 10 JEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@](C)(O)c1ccc(F)cc1 1740607237 JNQOTAWPBIMZHQ-QFIPXVFZSA-N 456.547 2.354 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(COc4ccccc4)o3)n2CCS(=O)(=O)CC)CC1 1740691505 GKIJGRPYTHXFEA-UHFFFAOYSA-N 483.594 2.307 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(NC(=O)N(C)C)cc1 1740730784 IEERMXHHJMQVCQ-WZONZLPQSA-N 470.599 2.314 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1 1740763447 LIUKPRLGNDMXOR-YKSBVNFPSA-N 480.569 2.005 30 10 JEEE C=C(C)COCCn1c(-c2cc3ccccc3o2)nnc1N1CCN(CC(=O)N(C)C)CC1 1740788571 WIEGYKGOWBINDX-UHFFFAOYSA-N 452.559 2.494 30 10 JEEE C=CCCCn1c(-c2ccc(CC)cc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1740869136 BRKIJWMEYZDISM-UHFFFAOYSA-N 452.603 2.455 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1740952633 JWCCYQQKKMAPIO-BTYIYWSLSA-N 476.375 2.394 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1740953754 PSRWTXQPLDMZQE-SFHVURJKSA-N 454.575 2.387 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CCN(CCOC)[C@@H](C)C1 1740954182 FEJKNGZKLCMDMH-AWEZNQCLSA-N 483.436 2.228 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C(C)=O)CC1 1740986662 DCXBCKSIPJINOX-IBGZPJMESA-N 475.615 2.304 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(C2CC2)C(=O)C1 1740987091 OZQNUSKYZWFEAT-INIZCTEOSA-N 494.017 2.483 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCCN1CCC[C@H]1CO 1748647081 INEARNSUGYHXPL-ICSRJNTNSA-N 487.674 2.241 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1Cc1ccc(COC)cc1)[C@@H]1CCS(=O)(=O)C1 1748818879 HKVBQQJSSGHKNK-OAQYLSRUSA-N 485.635 2.455 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H](C2CC2)N(C)C)CC1 1749019087 KISAZFJEPGPEOU-QFIPXVFZSA-N 468.577 2.302 30 10 JEEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1749043499 HXADQRHBGDHUHU-INIZCTEOSA-N 476.628 2.351 30 10 JEEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1749234159 BQHQCWWUZBCKDK-IBGZPJMESA-N 450.609 2.136 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2cc(F)ccc2C1 1749268485 BJIGEIPHHYYIHL-KRWDZBQOSA-N 455.943 2.065 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1749664574 RZQIDSLMKMAGHT-SFHVURJKSA-N 458.010 2.117 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CCC(C)(C)O)C1 1749696941 FSSQBAZLORSCPT-KRWDZBQOSA-N 462.620 2.489 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC(C(=O)OC)CC1 1749730576 JIXRSFFVEJHPJN-UHFFFAOYSA-N 457.556 2.417 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CCNc1nccc(C(F)(F)F)n1 1760098938 BBUCFJYBWNHAHW-AUUYWEPGSA-N 453.469 2.309 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C(CC)CC)no1 1760117124 MSALUSBIEFSOTR-DNVCBOLYSA-N 464.592 2.009 30 10 JEEE C#CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1760150713 RMFFWOSMUOLUQU-GOSISDBHSA-N 475.615 2.484 30 10 JEEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1cccc(CN2CCO[C@@H](C)C2)c1 1760165060 IGPKOUUVSHIOKH-CPJSRVTESA-N 453.587 2.269 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@@](C)(O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1760189974 MSUWQFPBHXMKDB-NFBKMPQASA-N 470.620 2.465 30 10 JEEE C#CCN(CC#C)c1nnc(CCOc2ccccc2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1760206564 DTFLHWWDOWAZAT-GGAORHGYSA-N 481.622 2.177 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCN(C)C(C)C 1760250471 ZXAIRZQOYWTHCK-IBGZPJMESA-N 464.611 2.013 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1snnc1C 1760253107 NBUPIAYHCQMCJP-IYBDPMFKSA-N 461.592 2.343 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCOc2ccc(F)c(F)c2)CC1 1760255820 ASDNCFUGAOFGBN-DEOSSOPVSA-N 475.540 2.431 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC(=O)NC(C)C)CC1 1760265619 GAMIQKWXPDWCDY-KRWDZBQOSA-N 470.549 2.048 30 10 JEEE C=C(C)COCCn1c(-c2nnc(O)c3ccccc23)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1760355408 JKZZKLYCBUVHAG-MRXNPFEDSA-N 472.571 2.200 30 10 JEEE C=C(Cl)Cn1c(N2CCC(N3CCCNC3=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1760386655 FIYCNJWLVHWTTJ-NRFANRHFSA-N 452.987 2.455 30 10 JEEE C=CCCOCCn1c(-c2ccccc2F)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1760448366 ALGBQJNKSZHHSC-NRFANRHFSA-N 456.566 2.420 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCOC[C@@H]1C 1760485021 QBJCMYKCVMZUJB-ICSRJNTNSA-N 477.606 2.233 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 1760522848 ZPKFKVUXEAFOML-XLIONFOSSA-N 498.584 2.444 30 10 JEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccs2)CC1 1760566301 QOLCCWXOECXXDV-INIZCTEOSA-N 453.659 2.488 30 10 JEEE CO[C@@]1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(CC(C)C)CC2)CCOC1 1768236950 AJXHAVMWFJAKIN-XMMPIXPASA-N 454.575 2.312 30 10 JEEE COc1ccc(Cc2c(C)nc(N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)nc2O)cc1 1858576778 GBBYZHUSHAQHFB-UHFFFAOYSA-N 479.562 2.473 30 10 JEEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@H]1c1ccc(O)c(O)c1 1862458858 WVLMFIOSEVAHAU-GOSISDBHSA-N 450.369 2.230 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@H]2c2ccccc2C(=O)O)cc1OC 1862572446 GCJPXBCNTXAVJR-FQEVSTJZSA-N 468.462 2.116 30 10 JEEE COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2C[C@H](C)O)cc1 1862610313 HVJNLRCKFMJJEM-RNODOKPDSA-N 453.447 2.204 30 10 JEEE C#CCOc1cn(CCc2ccc(OC)c(OC)c2)c(CN2CCN(c3ncccn3)CC2)cc1=O 1870559595 IOULWFNLOBHVST-UHFFFAOYSA-N 489.576 2.232 30 10 JEEE C=CCN(CC=C)c1nc(=NCCCN2CCCC2=O)[nH]c(=Nc2cccc(NC(C)=O)c2)[nH]1 1871531003 WVSDJZDLUKILBE-UHFFFAOYSA-N 464.574 2.020 30 10 JEEE C=CCn1c(C(=O)NCCCCN2CCCC2)cc2c(N3CCN(c4ncccn4)CC3)ncnc21 1873595035 MPIJXZQIASLWSF-UHFFFAOYSA-N 489.628 2.340 30 10 JEEE CC(C)N1C[C@H](c2nnc(SCC(=O)NCc3ccco3)n2/N=C/c2ccc(O)c(O)c2)CC1=O 1874333603 SRWAQQIBUHHHQB-DTKBVBGUSA-N 498.565 2.297 30 10 JEEE CC(C)N1C(=O)CS[C@H](C(=O)N2CCN(C(=O)C3CCC3)CC2)[C@H]1c1ccc(C#N)cc1 1890599907 LCZALXVNYCQHBK-YADHBBJMSA-N 454.596 2.423 30 10 JEEE Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CC(COc4cccnc4C#N)C3)C2)cc1 1891902001 DETYCLWVWWQKRL-LJQANCHMSA-N 454.552 2.200 30 10 JEEE N#Cc1cccc(N2CCN(C(=O)[C@@H]3CCCN(S(=O)(=O)c4ccc(F)cc4)C3)CC2)c1 1892320075 DZOMIMDDOJOBBY-LJQANCHMSA-N 456.543 2.447 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1[C@@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1(F)F 2124542941 LICIHSYHZZIOMI-OLZOCXBDSA-N 454.283 2.120 30 10 JEEE Cc1nc(C)c(B2OC(C)(C)C(C)(C)O2)c(N2C[C@@H]3OCCN(Cc4ccccc4)[C@@H]3C2)n1 2172782129 NBEAYXJNZBPROI-RTWAWAEBSA-N 450.392 2.482 30 10 JEEE CO[C@H]1[C@@H](C(=O)N2C[C@H]3[C@H](B4OC(C)(C)C(C)(C)O4)[C@H]3C2)N(C(=O)OC(C)(C)C)C[C@H]1OC 2205488393 LHPFRGWAYBJNJN-BQULAQKPSA-N 466.384 2.186 30 10 JEEE CC(C)(C)OC(=O)N[C@@]1(C(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)C[C@H](O)C1(C)C 2206615396 YHKUQFRQRFPRSY-NPMXOYFQSA-N 461.368 2.374 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2COC[C@]2(C(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)C1 2206624962 UQWGXEWGXWYHRZ-IQMFZBJNSA-N 459.352 2.203 30 10 JEEE Cc1csc(CNC(=O)[C@H](CO)CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2256674304 JSCXRBWVHUFUJZ-AWEZNQCLSA-N 454.398 2.105 30 10 JEEE CCc1nn(C)c(C(=O)NC2CC(NC(=O)OCc3ccccc3)C2)c1B1OC(C)(C)C(C)(C)O1 2267147494 RYHMVNGVBNLOBI-UHFFFAOYSA-N 482.390 2.469 30 10 JEEE Cc1nc(C(=O)N2CCOC[C@H]2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2267162772 RQILPORPYDFHEP-CQSZACIVSA-N 467.397 2.116 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2csc(B3OC(C)(C)C(C)(C)O3)c2)[C@@H](CO)C1 2267290054 YDCQHTYGBGYGIF-HZPDHXFCSA-N 466.409 2.395 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ccsc2B2OC(C)(C)C(C)(C)O2)[C@@H](CO)C1 2267456246 GWSOMVOMYRUNQY-ZBFHGGJFSA-N 466.409 2.395 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](CO)[C@@H](NC(=O)c2csc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267562181 ZGAWEOAXAQXORQ-ZBFHGGJFSA-N 466.409 2.395 30 10 JEEE C[C@H](COCC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F)NC(=O)OC(C)(C)C 2268664927 ZQTMERMBPWYNJA-CYBMUJFWSA-N 453.320 2.388 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2OCC[C@@]2(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C1 2278894329 VJNNQUWPINEWNS-YEJXKQKISA-N 465.381 2.407 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C(=O)O)N(c2nccc(B3OC(C)(C)C(C)(C)O3)c2F)C1 2280755974 ARAUXEAFZZQLAM-UKRRQHHQSA-N 465.331 2.467 30 10 JEEE Cn1ncc(C(=O)N[C@@H]2C[C@H]3C[C@H]2C[C@@H]3NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2281833149 XFAGOFYAQGKXJR-ABFRBSLYSA-N 460.384 2.141 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 2281968555 XTMISZCXUTVQQE-IYBDPMFKSA-N 460.384 2.141 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@]1(F)C[C@@H](NC(=O)OC(C)(C)C)C1 2282000778 RZAPOSPSJIWHPC-XLOAEROZSA-N 466.363 2.153 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CCCN2C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2282099589 JSPPFEHRVNLGJC-NVXWUHKLSA-N 458.368 2.247 30 10 JEEE C[C@@H]1CC[C@H](CNC(=O)C(F)(F)F)N(C(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2282191015 UMQLALOIJLOYOK-ZIAGYGMSSA-N 455.286 2.300 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@]2(CCN(C(=O)c3ccoc3B3OC(C)(C)C(C)(C)O3)C2)C1 2282209773 WXMLSRUVZYETNZ-QHCPKHFHSA-N 462.352 2.431 30 10 JEEE Cc1nc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2CO)c(B2OC(C)(C)C(C)(C)O2)s1 2282511807 DMOLODIYTMYRII-LSDHHAIUSA-N 481.424 2.098 30 10 JEEE Cn1ncc(C(=O)N2CC[C@@H](C3CN(C(=O)OC(C)(C)C)C3)C2)c1B1OC(C)(C)C(C)(C)O1 2282568466 CIBZUCNWNUAQHZ-OAHLLOKOSA-N 460.384 2.048 30 10 JEEE Cc1ccc(C(=O)N2C[C@H](O)C[C@@H]2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2282671076 OZVVYGQMJZWCDW-IAGOWNOFSA-N 460.380 2.394 30 10 JEEE CC(C)(C)OC(=O)NC1(CCCNS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CC1 2282865657 XBUJHIDPJIACOL-UHFFFAOYSA-N 481.424 2.497 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(O)cc2O)[C@H]2C[C@@H]21 2282983128 JLGKWYQZTDDZMA-HOTGVXAUSA-N 460.336 2.231 30 10 JEEE CC(C)(C)OC(=O)N1CC([C@@H]2CCN(C(=O)c3nccnc3B3OC(C)(C)C(C)(C)O3)C2)C1 2283055110 DBGXNFUKYHNACR-OAHLLOKOSA-N 458.368 2.105 30 10 JEEE COc1ccc(NC(=O)CN2CC(NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2283953218 QLDNFLGCKPCHOD-UHFFFAOYSA-N 461.368 2.142 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@@]2(C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2283960625 ZQXWGHHXOUTCHP-WNSKOXEYSA-N 459.352 2.345 30 10 JEEE C[C@H](NC(=O)C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O)c1nscc1B1OC(C)(C)C(C)(C)O1 2284012502 WRCUXJCHFHWQQG-OFQRWUPVSA-N 481.424 2.237 30 10 JEEE CC(C)(C)OC(=O)N[C@@]1(C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C[C@@H](O)C1(C)C 2284051778 SNCANBSCHABMJK-MCMMXHMISA-N 481.424 2.113 30 10 JEEE COc1cccc([C@H]2C(=C(O)c3c(C)nn(C)c3C)C(=O)C(=O)N2CCCN(C)C)c1OC 2296624976 YWIVPZWQIBYXGL-FQEVSTJZSA-N 456.543 2.428 30 10 JEEE COc1cc(OC)c(OC)cc1C=C1Oc2cc(OCC(=O)N[C@H](C)C(=O)O)ccc2C1=O 2297475460 WUVMMFOSIFRARJ-GFCCVEGCSA-N 457.435 2.297 30 10 JEEE CCOc1ccc(C=CC(=O)[C@@H]2C[C@@H](NC(=O)CN3C(=O)c4ccccc4C3=O)CCN2)cc1OC 2328071871 CRPRBIYMTGIVLO-RXVVDRJESA-N 491.544 2.209 30 10 JEEE CCCN(CCC)C(=O)CSc1nnc(CNC(C)=O)n1N=Cc1ccc2c(c1)OCCO2 2330785606 SMJZQZNOADDNOV-UHFFFAOYSA-N 474.587 2.308 30 10 JEEE COC(=O)c1ccc(C=CC(=O)Nc2c(C#N)nnn2Cc2cc([N+](=O)[O-])cc3c2OCOC3)cc1 2332154804 FOIKSAWUFMUQSL-UHFFFAOYSA-N 490.432 2.411 30 10 JEEE CC(C)[C@@](C)(CNC(=O)OC(C)(C)C)NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2337207857 GCCTYJWXTGJNNQ-JOCHJYFZSA-N 450.389 2.389 30 10 JEEE Cc1cc(CN2CCN(C)C[C@@H]2CNC(=O)C(F)(F)F)cc(B2OC(C)(C)C(C)(C)O2)c1 2369724356 MFNLUQXFPAHNCD-SFHVURJKSA-N 455.330 2.089 30 10 JEEE COc1cc(/C=N/Nc2nnc(SCC(=O)Nc3ccc(C(C)=O)cc3)n2N)cc(OC)c1OC 20827280 WREJQKYMMWEYPM-BHGWPJFGSA-N 499.553 2.397 30 10 JEEE C[C@H]1C[C@H]2[C@@H]3CC[C@](OC(=O)CCC(=O)O)(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12 31290910 VDJNUHGXSJAWMH-XYMSELFBSA-N 474.550 2.219 30 10 JEEE in-vitro COc1cc(OC)c([C@H]2c3c(nc(N4CCC(C)CC4)[nH]c3=O)NC(=O)[C@H]2C#N)cc1OC 72445314 OCLBVNFLBCAVQA-KBXCAEBGSA-N 453.499 2.256 30 10 JEEE 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[N+](C)(C)C 245328592 VNLJJMSFFPPDPE-YURJADMSSA-N 462.607 2.039 30 10 JEEE CCCCCCCCO[C@@H]1O[C@H]([C@@H](COC(C)=O)OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 248298241 YQYGIWWSRQRBBQ-QMCAAQAGSA-N 460.520 2.447 30 10 JEEE CC#CC[C@H](CO)NC(=O)c1cc(I)cc(I)c1O 717702362 JFVGWJFPLSGTLA-SECBINFHSA-N 485.059 2.106 30 10 JEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(Cc3ccccc3)c2)c(=O)n1-c1ccccc1C 731232678 FVVDCHRHTPUXAK-UHFFFAOYSA-N 481.581 2.258 30 10 JEEE COC(=O)CC[C@@H](NC(=O)C#CCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 757485591 MBEBVQMOMQORLK-OAQYLSRUSA-N 464.474 2.051 30 10 JEEE C[C@H](OC(=O)CCn1c(=O)nc(O)c2ccccc21)C(=O)Nc1sc2c(c1C#N)CCC2 918919104 AHUJHKUZYHNWBV-LBPRGKRZSA-N 452.492 2.484 30 10 JEEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN(c3ccccc3OCCOC)CC2)c1 1137275408 WNEPKJWNRIMQAF-UHFFFAOYSA-N 459.568 2.139 30 10 JEEE C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCC[C@@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 1252072513 MGSFMFUPJCYOAI-OTWHNJEPSA-N 450.580 2.078 30 10 JEEE C=CCN1CC[C@H](N(C)C(=O)c2cccc(S(=O)(=O)N(C)c3ccc(OC)cc3)c2)C1=O 1270492880 BCTBXMQUJZLXFT-NRFANRHFSA-N 457.552 2.379 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCOC[C@@H]1OC 1286295452 IYIDLHGEKKJCJV-VJANTYMQSA-N 463.579 2.096 30 10 JEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1286322542 GALSHEWZGQXERK-CQSZACIVSA-N 468.505 2.355 30 10 JEEE C#CCN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C/C=C/CC)[C@H]1CCS(=O)(=O)C1 1286381934 PTNNZNPPIOKCET-UEKDZROGSA-N 476.002 2.454 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 1286394274 IAWYRMCZTZMUSC-PZJWPPBQSA-N 458.584 2.280 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnccn2)n1CC1(S(C)(=O)=O)CCC1 1286455482 FCKBQAPTKYFOHH-UHFFFAOYSA-N 454.531 2.481 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](C)(CC)C1 1286556955 SFNGVTOKCSQHCI-NXWNEQKCSA-N 467.636 2.219 30 10 JEEE C=C(Cl)Cn1c(N2CCN(c3ccc(C(N)=O)cc3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1286635578 WJHNNUUUZCBIRI-HSZRJFAPSA-N 474.993 2.497 30 10 JEEE C=CCCOCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1286707990 NRTISMSQGGNQJV-MSOLQXFVSA-N 457.531 2.490 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1sc(C)nc1C 1286758304 JNMHKOZRQVGTAU-QGZVFWFLSA-N 466.633 2.105 30 10 JEEE C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)CCc2ccc(OC)cc2)CC1 1286768966 JZDCJWDERPJLBO-UHFFFAOYSA-N 475.553 2.401 30 10 JEEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1295064124 CVDQPIOXCBOFLF-LJQANCHMSA-N 483.573 2.025 30 10 JEEE CN(C[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCO2)C1)S(C)(=O)=O 1298547695 GWOTWJSVGAHUGO-UYAOXDASSA-N 458.588 2.104 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1CC1(O)CCN(C(C)C)CC1 1300647168 ARYCWZHQPSSPFV-OAQYLSRUSA-N 468.577 2.243 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCOc2ncccc2F)CC1 1300708070 MONHEJBZAZLQTJ-UHFFFAOYSA-N 461.501 2.097 30 10 JEEE C#CCSCCn1c(CCOc2ccccc2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1300767951 IDUZSWGXQBPXCA-RBBKRZOGSA-N 455.628 2.423 30 10 JEEE C=C(Br)Cn1c(-c2cccn2C)nnc1N1CCC(C(=O)NCCOC)CC1 1300837685 VEVMNWNHDNBVJU-UHFFFAOYSA-N 451.369 2.171 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(CCOC)C(=O)C1 1300878022 ZHYKHKNEZIYAFL-FDDCHVKYSA-N 485.585 2.239 30 10 JEEE C=C(C)C[C@@H](NS(=O)(=O)c1cc(Cl)c(OCC(=O)N(C)C)c(Cl)c1)C(=O)OC 1309759930 BEXDIQRNVGTQRP-CQSZACIVSA-N 453.344 2.247 30 10 JEEE N#Cc1ccc(-c2nnc(N3CCS(=O)(=O)CC3)n2Cc2ccnc(OCC(F)(F)F)c2)cc1 1316529207 BTPLILJVQRAYGK-UHFFFAOYSA-N 492.483 2.436 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)(C)C)n2CCCN(CC)S(C)(=O)=O)c1 1358900711 QWIUSJNEYZOINL-UHFFFAOYSA-N 474.631 2.303 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1Cc1cccc(COC)c1)[C@H]1CCS(=O)(=O)C1 1358965216 QFMGXFAHWNCPPY-NRFANRHFSA-N 485.635 2.455 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1359090307 YOIDIODNALDPHB-BMFAXAFESA-N 476.603 2.164 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C(=O)COC)CC1 1359096236 YKHYWNWEUMBIEH-XXBNENTESA-N 485.585 2.239 30 10 JEEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC2(CC1)COC(=O)N2 1359122500 XTABDTNPUOGYHD-MRXNPFEDSA-N 462.551 2.241 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCn1cc(C)cn1 1359281965 NYDNASFFDCDMFU-LJQANCHMSA-N 475.594 2.430 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@@H]1c1cnn(C)c1 1359296832 VUTJPUVRQSCALH-LJQANCHMSA-N 451.531 2.340 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1359303987 HNBHVMNLPQAGAC-NTKDMRAZSA-N 455.559 2.160 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@@](C)(C#N)C1 1359330923 HCXPHIKDYLZLDS-QFIPXVFZSA-N 467.555 2.325 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1359332557 ANDTZVHENPXYNB-DLBZAZTESA-N 465.570 2.421 30 10 JEEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](C)CC[C@H]1C 1359334853 SIKJLJZEKJTKCR-JKSUJKDBSA-N 451.618 2.495 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1359336212 IKNCYQODLORTRR-MTQWCTHYSA-N 465.664 2.470 30 10 JEEE CC(=O)N1CCN(c2nnc(CC(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CC12CCCCC2 1359392475 UPRDSNYWKZJTPH-FCQUAONHSA-N 483.617 2.374 30 10 JEEE CC(C)(C)[S@](=O)CCn1c(-c2cccnc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1359589243 HYDNPGDCBUCDSH-MGBGTMOVSA-N 464.599 2.481 30 10 JEEE C=CCN(C(=O)c1ccc(I)c([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 1456084125 JASDXWXMZQZECY-NSHDSACASA-N 450.254 2.015 30 10 JEEE CCO[C@@]1(c2nnc(N3CC=C(c4ccc(C#N)cc4)CC3)n2CCS(C)(=O)=O)CCOC1 1502668348 HKWYKMLVMCRPCN-QHCPKHFHSA-N 471.583 2.140 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CC[C@@H]2CCCCO2)c1 1507550669 OMOKNTMUUZAPIM-VQTJNVASSA-N 450.543 2.245 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCCOC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1507628126 NHIJTZNMKNBOHB-KRWDZBQOSA-N 467.473 2.370 30 10 JEEE C#CCN(c1nnc(-c2cn(C)c3ccccc23)n1C[C@H](F)COC)[C@H]1CCS(=O)(=O)C1 1507630606 CYQLYSLZVDKIAV-IRXDYDNUSA-N 459.547 2.048 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1CCOC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1507633147 BUZLRZBLFPYAAT-IBGZPJMESA-N 460.600 2.319 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1Cc1ccc(C(=O)N(CC)CC)cc1)[C@H]1CCS(=O)(=O)C1 1507635158 PYYZUPLCPNSOCP-QFIPXVFZSA-N 483.638 2.388 30 10 JEEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1CCC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1507637884 CLQKVGLKTQQHMD-HXUWFJFHSA-N 472.611 2.406 30 10 JEEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(CN2CCC(O)CC2)cc1 1507641732 JXPDMCFSEDCLPD-NDEPHWFRSA-N 491.636 2.397 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCc1ccn(C)n1 1507648816 SNKPEUQJTVSJCP-UHFFFAOYSA-N 454.538 2.285 30 10 JEEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCN(CC(=O)NCc2ccccc2)CC1 1507753149 CKXQNQGAMOZCTI-QFIPXVFZSA-N 482.654 2.325 30 10 JEEE CCOC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)N2CCOCC2)C1 1516056050 AOZALAWOAPVVJI-RXVVDRJESA-N 467.574 2.252 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCCO3)n2C[C@H]2CCS(=O)(=O)C2)c1 1539043192 OAWIRSMWNVZMAL-QUCCMNQESA-N 471.583 2.011 30 10 JEEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1C[C@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1539230457 MSBBNGUWYCSNQZ-PMACEKPBSA-N 459.616 2.051 30 10 JEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1539408985 KPVYVZJKGXXRMP-MRXNPFEDSA-N 474.562 2.347 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1ccc(N(C)C)nc1 1539412952 FKARPPZXKRFBJW-UHFFFAOYSA-N 458.526 2.189 30 10 JEEE C=CC1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1539891698 JPKLAXJZAFJZKF-NRFANRHFSA-N 450.992 2.474 30 10 JEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccc(OC)cc2C1 1540007143 YNXIDGGCDSGFOK-HXUWFJFHSA-N 461.588 2.149 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1540866768 ZGORWNQYDNAVAY-AWEZNQCLSA-N 462.938 2.186 30 10 JEEE CC(C)CN1CCC[C@@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(CC#N)CC2)C1 1541551330 CDRYUIOPRDOBDB-AZUAARDMSA-N 465.668 2.386 30 10 JEEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(CC2CC2)n1CC[S@@](=O)C(C)(C)C 1544582219 IBOJIHUZRUWJIC-MWOWJKGTSA-N 456.620 2.155 30 10 JEEE Cn1ccc(C(=O)N2CC3(CCN(c4ccc(C#N)c(C(F)(F)F)c4)CC3)C[C@@H]2C(N)=O)n1 1548379994 NNFULNUFKBSOEG-GOSISDBHSA-N 460.460 2.297 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@H]2CCO[C@@H]2C(=C)C)c1 1587684510 XVOWTQCCLMSKQP-DENIHFKCSA-N 464.570 2.454 30 10 JEEE C#CCCCCn1c(N2CCO[C@H](Cn3nc(C)cc3C)C2)nnc1[C@@]1(OCC)CCOC1 1587793375 LDGDJAAJKFCLRM-XUZZJYLKSA-N 456.591 2.452 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1ccc(F)cc1F)C1CC1 1587862658 YUUVLQSNOMSACF-HXUWFJFHSA-N 479.553 2.472 30 10 JEEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1587926744 GLHWMRVMMRORPI-QGZVFWFLSA-N 476.423 2.058 30 10 JEEE C#CCN(c1nnc(C2CC2)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1588049636 KBBJDRVVOVJXFS-ROUUACIJSA-N 463.604 2.182 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1CC(C)(C)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1588059443 OFCFVTYASUVPHP-QGZVFWFLSA-N 467.636 2.407 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CCCCN1CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1588064113 AQLGTIUGRCQWLT-GMAHTHKFSA-N 484.670 2.403 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCC1(O)CCOCC1 1588189831 SHBUCOHQYKXPNI-UHFFFAOYSA-N 468.554 2.365 30 10 JEEE C#CCN(CC#CC)c1nnc(COc2ccc(C#N)cc2)n1Cc1cccc(N2CCOCC2)n1 1588251515 QJYSKTUVUHJHKS-UHFFFAOYSA-N 481.560 2.472 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@H]1CC(=O)N(CCOC)C1 1588309790 DPQVUROJVKMONL-IBGZPJMESA-N 491.596 2.190 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCN(C2CCOCC2)CC1 1589495128 PKHYSXVXTMTJGB-VWPQPMDRSA-N 463.623 2.284 30 10 JEEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1589708843 XDDDRMGDUSXOCH-OAHLLOKOSA-N 463.995 2.316 30 10 JEEE C=C(C)COCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1593722062 KANYQSFKTWOTKS-UHFFFAOYSA-N 491.614 2.169 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(Cn2cc(C)cn2)CC1 1593746409 DKHQQQZCPVVBIO-FQEVSTJZSA-N 462.620 2.194 30 10 JEEE C=C(Cl)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(CC(=O)NCCOC)CC1 1593826536 LVZIYASXFNLHHB-UHFFFAOYSA-N 453.374 2.236 30 10 JEEE C=CCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1594582163 MGUZIJVSLMPLLH-UHFFFAOYSA-N 481.557 2.481 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@H](C)[C@@H](OC)C1 1595466708 MEOFPJROWXTVQJ-YJBOKZPZSA-N 460.966 2.025 30 10 JEEE C=CCOc1ccccc1Cn1c(-c2ccc[nH]2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1595648689 GXVTWWZJJJVFHO-GOSISDBHSA-N 456.572 2.404 30 10 JEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CC=C(c2ccc(O)cc2)CC1 1595824152 XGUVGWGCCCTCNV-UHFFFAOYSA-N 471.583 2.001 30 10 JEEE CC1(C)COCCN1CCn1c(-c2cccc(C#N)c2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1611799551 HWIOULDURMZYPZ-OAQYLSRUSA-N 486.642 2.331 30 10 JEEE Cc1cc(Br)cc(C)c1N1CCC[C@H](NS(=O)(=O)N2CCO[C@@H](C#N)C2)C1 1622112929 GANNCHXHALXTPT-IRXDYDNUSA-N 457.394 2.094 30 10 JEEE C#C[C@H](CO)NC(=O)Nc1ccc(N2CCCC2)c(S(=O)(=O)Nc2ccccc2OC)c1 1622730232 GRKRFEMYVXOSCK-MRXNPFEDSA-N 458.540 2.212 30 10 JEEE C=CCN1C(=O)C(=O)N(CC(=O)Oc2cccc(OC(F)(F)F)c2Br)C1=O 1623664714 KIPKDNOTYSNESU-UHFFFAOYSA-N 451.151 2.230 30 10 JEEE C=CCc1ccc(OCC(=O)N[C@@H]2CC(=O)N(C3CN(C(=O)OC(C)(C)C)C3)C2)c(OC)c1 1646407863 DUDDCWIJUYSSRY-QGZVFWFLSA-N 459.543 2.139 30 10 JEEE Cc1ccc([C@@H](CNC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)N2CCOCC2)o1 1676047135 HJZVGNOTAYLDBP-LEWJYISDSA-N 451.527 2.328 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCOCC(=C)C)[C@H]1CCS(=O)(=O)C1 1689981947 DVMJRRPBPQIMRC-IBGZPJMESA-N 459.528 2.073 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1CCCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1689993760 KTYBGSNRUOULTJ-QFIPXVFZSA-N 455.628 2.176 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3CC)n2CCc2n[nH]c(C)n2)CC1 1690152194 BJPXMIJEZKQJOW-UHFFFAOYSA-N 476.585 2.055 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCCNC(=O)OC(C)(C)C 1690206565 VBOUIGZZOGZRAZ-HTAPYJJXSA-N 465.620 2.477 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)C(C)C)CC1 1690237313 XPMNIZOADFQCAT-AZUAARDMSA-N 460.623 2.482 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1690253643 RZRXDPHGKGXVRM-RRPUWOKSSA-N 469.586 2.406 30 10 JEEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ncnc3sccc23)CC1 1690472030 BHRVWXQWHALINJ-OAHLLOKOSA-N 476.632 2.186 30 10 JEEE C=CCCOCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CC(=O)N(C)C[C@H]1C 1690507134 DWHNTOAVBHUZOY-GOSISDBHSA-N 479.585 2.325 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1690664000 JMSHWQXXJDAJIM-SFHVURJKSA-N 478.553 2.476 30 10 JEEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1690669059 SGWISQARUKXUDB-INIZCTEOSA-N 456.572 2.132 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(N(C)C)CCSC1 1705582980 NYNBENYBYCAWQB-DVECYGJZSA-N 488.658 2.097 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCCSC1 1705626792 JIVGDXCBYSJEMZ-KRWDZBQOSA-N 452.584 2.421 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@]2(O)CCSC2)CC1 1705645003 IGZHOOZVTQYJFG-XDHUDOTRSA-N 487.601 2.391 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@]2(O)CCN(C)C2)CC1 1705646935 UJWUOMGJPOZGGD-QHCPKHFHSA-N 491.423 2.284 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(C)s2)CC1 1705652969 ULBKFAOBKHBZPS-ICSRJNTNSA-N 457.600 2.386 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCNC(=O)C(C)C 1705674596 MRTBCHRFKHVIPM-MHECFPHRSA-N 474.606 2.351 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1CCS(=O)(=O)CC1 1705714521 VBDDZPKFJIZQMP-UHFFFAOYSA-N 470.599 2.419 30 10 JEEE C=C(C)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1705728099 VNRQXIRMARRGSG-NRFANRHFSA-N 467.618 2.496 30 10 JEEE C=CCCCn1c([C@H]2CCCCO2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1705817327 HQLZIXDLIWGODA-HXUWFJFHSA-N 458.607 2.426 30 10 JEEE C=CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(Cc2nc(COC)no2)CC1 1705885767 KLSZSYSHNPTLJZ-UHFFFAOYSA-N 466.546 2.185 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2cccc(OCC)n2)CC1 1705898369 JLSNOYRMKYKKMQ-UHFFFAOYSA-N 482.976 2.416 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1705930481 OFWCTJOXSZWNGE-INIZCTEOSA-N 454.666 2.396 30 10 JEEE Cc1cc(C)n(Cc2nnc(N3CC=C(c4ccc(C#N)cc4)CC3)n2CCS(C)(=O)=O)n1 1707822372 ANXXFOKDCIJYGN-UHFFFAOYSA-N 465.583 2.350 30 10 JEEE CNC(=O)C(C)(C)Cn1c(C2CCCC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1711290883 HPIVLFMGQKZCNB-INIZCTEOSA-N 451.579 2.085 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1722362059 MHWSLIZEWHIWFD-WBVHZDCISA-N 464.975 2.270 30 10 JEEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1CC1(S(C)(=O)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1722364159 JPQZCJJLHYGWJS-WOJBJXKFSA-N 490.651 2.024 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CCc1c(F)cccc1F)[C@@H]1CCS(=O)(=O)C1 1722364591 LYKDWZSDROWUIL-HXOBKFHXSA-N 494.564 2.078 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1CCCCCCO)[C@@H]1CCS(=O)(=O)C1 1722367567 WMBNVLBWUFBIAF-QGZVFWFLSA-N 498.447 2.226 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(c2ccc(F)cc2F)CC1 1722390764 UMOYVCIDNOMXDW-MRXNPFEDSA-N 461.538 2.361 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)OC(C)(C)O2 1722395900 DACXSDOUUWIOPT-GOSISDBHSA-N 454.552 2.199 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2csc(CC)n2)CC1 1722442125 YHJHPCGNLBOCKO-UHFFFAOYSA-N 471.631 2.230 30 10 JEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](Cc2ccc(F)cc2)C1 1722451029 FKGDNZXZCQBLNI-AEFFLSMTSA-N 465.620 2.463 30 10 JEEE C=C(C)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1722523627 CSCXWIYAVQBDJB-OAQYLSRUSA-N 452.559 2.415 30 10 JEEE C=C(C)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 1722524181 RVLXRMHEKXCGQB-NRFANRHFSA-N 491.614 2.244 30 10 JEEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(c2nc(C)cs2)CC1 1722683075 CKCXKDLYWAKVRN-UHFFFAOYSA-N 473.628 2.473 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@H](CN2CCOCC2)C1 1722695631 KLBRMUMHYQITHT-GOSISDBHSA-N 489.020 2.458 30 10 JEEE C=CCOc1ccccc1Cn1c(Cc2ccccn2)nnc1N1CCC(NS(C)(=O)=O)CC1 1722707843 AIVTTWQTNJSYAW-UHFFFAOYSA-N 482.610 2.395 30 10 JEEE C=CCOc1ccccc1Cn1c(N2CC(=O)N(C)C[C@H]2C)nnc1[C@@]1(OCC)CCOC1 1722708576 YNDFHHQUSPNAFR-HOYKHHGWSA-N 455.559 2.210 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1722731436 KUWVBZDQSSJUGD-FQEVSTJZSA-N 496.655 2.088 30 10 JEEE CC(C)(C)C(=O)NCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1722878696 DSCGDJVYAIBBEW-UHFFFAOYSA-N 496.591 2.014 30 10 JEEE N#Cc1ccc(OCc2nnc(N3CCC[C@@H](C(N)=O)C3)n2C[C@H]2CSCCS2)cc1 1731181329 AKXDEYHWMZQZBM-AEFFLSMTSA-N 458.613 2.279 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCc1ccc(O)cc1)[C@@H]1CCS(=O)(=O)C1 1740624157 GLFDYYAKAFVTQO-LJQANCHMSA-N 471.608 2.209 30 10 JEEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1C[C@@H]1CC=CCO1)[C@@H]1CCS(=O)(=O)C1 1740627169 FCYOUBAJYOCWSP-RTWAWAEBSA-N 470.595 2.446 30 10 JEEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1CC1(C)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1740628892 VZVNWIQNNAPEFR-LJQANCHMSA-N 488.610 2.309 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(c2cccc(OC)c2)CC1 1740655886 FWOKSRKKTDJFBE-LJQANCHMSA-N 452.580 2.384 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC(C)(F)F 1740679367 WEDUQELFHOQHQH-SFHVURJKSA-N 485.532 2.435 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2C[C@]2(O)CCOC2)CC1 1740703717 CFLKNZKRGQZYGI-HHHXNRCGSA-N 495.624 2.487 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2C[C@H]2NC(=O)CC2(C)C)CC1 1740707357 ZBWOXQLPCOMCRE-OAQYLSRUSA-N 462.598 2.058 30 10 JEEE C=C(C)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1740783385 CEAQYKVRDIOART-UHFFFAOYSA-N 452.603 2.392 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](OCc2ccccc2)C1 1740810476 CTLASDJMBMXYFV-MOPGFXCFSA-N 482.006 2.159 30 10 JEEE C=CC[C@@H](Cn1c(CN2CCCC2=O)nnc1N(C)CC(=O)N1CCOCC1)c1ccccc1 1740855627 NISMUULBSIWJEA-NRFANRHFSA-N 466.586 2.055 30 10 JEEE C=CCCCn1c([C@H](CC)c2ccccc2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1740871137 RMGZSVGSVOOOKG-JOCHJYFZSA-N 480.613 2.294 30 10 JEEE C=CCn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H](C(=O)OC)[C@H](CNC(=O)OC(C)(C)C)C1 1740943153 SBXRUVRIVJPCGL-NVXWUHKLSA-N 478.594 2.133 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CCC(C(N)=O)CC1 1740954215 GHFSCLJGPFCUOW-UHFFFAOYSA-N 481.782 2.365 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 1740957636 VHRGPYCFCICABV-KRWDZBQOSA-N 451.506 2.219 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCCn2cc(Br)cn2)C1 1740979251 IFRYEDKTDASXNB-IRXDYDNUSA-N 478.395 2.450 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1740988105 SWBUJDZITGZCOU-UHFFFAOYSA-N 471.587 2.181 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCC[C@@H](C(F)(F)F)C2)nnc1[C@]1(OCC)CCOC1 1740994431 RHMHVHWSGGYLBD-QAPCUYQASA-N 466.526 2.310 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1CC1(O)CCS(=O)(=O)CC1 1748655218 SZVCGEGZNZWNIP-HNNXBMFYSA-N 481.416 2.414 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CCN2CCC[C@@H](C)C2)c1 1748692736 MWGPGMIHWNIWSD-NQIIRXRSSA-N 463.586 2.017 30 10 JEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@H](C)CS(=O)(=O)CC 1748735983 VIWAVSNJGDMYEB-MRXNPFEDSA-N 452.602 2.021 30 10 JEEE C#CCN(c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC(=C)C)[C@@H]1CCS(=O)(=O)C1 1748814583 GUYIMGGHPFJDBU-GOSISDBHSA-N 480.594 2.439 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccccc2OC)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1748838731 DUWVQUCXNRNWEB-CTNGQTDRSA-N 467.595 2.231 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3CC)n2C[C@H]2NC(=O)CC2(C)C)CC1 1749019215 PGNBNVJPKMCEBT-JOCHJYFZSA-N 492.624 2.300 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@]1(O)CCS(=O)(=O)C1 1749054613 WOQZPIITVZMYQH-USCONSEESA-N 462.547 2.099 30 10 JEEE C=C(Cl)Cn1c(N2C[C@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1749282505 ZKOSTTGCOBAUSC-SNYIIPAISA-N 495.068 2.450 30 10 JEEE C=CCCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(C1)OCc1ccccc12 1749445652 UQOZQLDRFDXMKH-VGOFRKELSA-N 461.588 2.117 30 10 JEEE C=CCOc1ccccc1Cn1c(CN2CCCC2=O)nnc1N1C[C@H](C)O[C@H](COC)C1 1749690429 XFBBFECSMBPKLH-ICSRJNTNSA-N 455.559 2.254 30 10 JEEE N#Cc1ccc(OCc2nnc(N3CCC(OCC(N)=O)CC3)n2C[C@@H]2CCCS2)cc1 1750383880 FXOUZUDMUGXQKO-IBGZPJMESA-N 456.572 2.095 30 10 JEEE CC(C)N(CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1)C(C)C 1750890870 HWVFIIHBFJBLNR-UHFFFAOYSA-N 473.647 2.407 30 10 JEEE Cc1cccc(C(=O)NCCn2c(CNC(=O)c3cccs3)nnc2N2CC[C@](F)(C#N)C2)c1 1751593066 FZXROOQTNCUIAT-QHCPKHFHSA-N 481.557 2.450 30 10 JEEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CC2)CC(C)(C)O1 1752387530 HZPYEKKJEMNHMN-INIZCTEOSA-N 459.572 2.310 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(SC)CCN(C)CC1 1760104575 AWNVBBMYUPKKQX-KRWDZBQOSA-N 451.604 2.206 30 10 JEEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC1(S(C)(=O)=O)CCCC1 1760120494 MGBADQLAAPYRIX-QFIPXVFZSA-N 498.697 2.458 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CC(=C)Cl)[C@H]1CCS(=O)(=O)C1 1760181061 PAZHOYRSDJJRDQ-ZDUSSCGKSA-N 458.769 2.415 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@](C)(O)c1ccco1 1760203339 AXXZZHQWFILTPE-HOYKHHGWSA-N 469.542 2.160 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2CCc2cnc3c(Cl)cnn3c2)n1 1760252156 JZFWKRALXOALSU-UHFFFAOYSA-N 453.938 2.008 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2snnc2C)CC1 1760263428 ARVPMAACNBGMOM-CALCHBBNSA-N 472.619 2.012 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2Cc2csc(COC)n2)CC1 1760268643 NRTKYOLEHQOTSG-UHFFFAOYSA-N 465.583 2.266 30 10 JEEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(c2cnn(C)c2)CC1 1760274328 MQKHBVLOXJNEGR-UHFFFAOYSA-N 475.420 2.462 30 10 JEEE C#CCSCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(C)C(=O)[C@@H]1C 1760281238 PGIBOZJAZMIWQQ-ROUUACIJSA-N 476.647 2.426 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1760313285 LWEZPZVIYGOHSG-FPAYPSAMSA-N 460.579 2.112 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC)CC1 1760322722 WVDWBYNYLREKAT-ZCNNSNEGSA-N 467.636 2.219 30 10 JEEE C=C(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1760347522 HUHIOLQCTLXZBQ-FQEVSTJZSA-N 454.623 2.285 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)[C@H](C)[C@H](C)S(C)(=O)=O)cc1 1760529484 HXCAAFBHAYKENP-ZIFCJYIRSA-N 496.655 2.051 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CCS(=O)(=O)N(C)C)C1 1760539348 ZZKPLNQVIRKZRQ-SFHVURJKSA-N 471.587 2.008 30 10 JEEE CC(C)(C)OC(=O)NCCn1c(Cc2ccccn2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1760791939 BIKZFVSLUJKOBS-UHFFFAOYSA-N 489.584 2.382 30 10 JEEE Cc1ccc(SCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CCCN2CCCO)cc1 1761873800 IAPVVUQHTFSRRS-UXHICEINSA-N 456.616 2.454 30 10 JEEE COC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)C(C)(C)C)CC1 1767916353 DXMFCIVPNYDQTD-UHFFFAOYSA-N 489.598 2.331 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccccc2C(=O)O)cc1OC 1862572247 AEFRMGPYBQIKQS-QFIPXVFZSA-N 496.516 2.313 30 10 JEEE COCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1cc(OC)c(O)c(OC)c1 1862632351 NLULSLQFBKAHSC-IBGZPJMESA-N 457.435 2.363 30 10 JEEE C=CCOc1ccccc1[C@H]1C(C(=O)NCCC2=CCCCC2)=C(N)Oc2c1c(=O)n(C)c(=O)n2C 1865721282 OIXWDSWKJMLFIP-FQEVSTJZSA-N 492.576 2.350 30 10 JEEE N#Cc1nnn(Cc2cc(Cl)cc3c2OCOC3)c1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 1870097677 RFTPUDWLLZFEBP-UHFFFAOYSA-N 476.858 2.427 30 10 JEEE C=CCn1cc(OCC(=O)Nc2ccc(F)cc2)c(=O)cc1CN1CCN(c2ncccn2)CC1 1870732782 XCOMJBBLIIJWMD-UHFFFAOYSA-N 478.528 2.303 30 10 JEEE C=CCOc1cn(Cc2ccc(S(N)(=O)=O)cc2)c(CNc2ccc3c(c2)OCO3)cc1=O 1870812383 TUIJCQFSNMLFFH-UHFFFAOYSA-N 469.519 2.450 30 10 JEEE C=CCn1c(C(=O)N(CCO)CCO)cc2c(N3CCN(c4ccccc4Cl)CC3)ncnc21 1873562869 WTTVASBEARFMTF-UHFFFAOYSA-N 484.988 2.024 30 10 JEEE COc1ccc(N2C[C@H](c3nnc(SCCO)n3/N=C/c3ccc(OC)c(O)c3)CC2=O)cc1 1874198409 ZYLXLRGWFPITNO-ANDSAHIGSA-N 483.550 2.488 30 10 JEEE CCN1CCN(CC#CCOC2CCN(C(=O)CCc3ccc(OC)c(OC)c3)CC2)CC1 1890372756 AZDBUHCAQSHCEF-UHFFFAOYSA-N 457.615 2.285 30 10 JEEE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 2000534721 WTFIAGUFVNMDFO-CYFREDJKSA-N 484.553 2.051 30 10 JEEE Cc1cc(C#N)c(-n2c(C)nc(I)c2I)nn1 2004320509 SQMVRDKSJMUAHK-UHFFFAOYSA-N 451.009 2.360 30 10 JEEE CC(C)(C)OC(=O)N[C@H](Cc1nccs1)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2180991011 IMUHDTLCKJVMEU-CQSZACIVSA-N 475.380 2.307 30 10 JEEE C=CCN(CCC(=O)N1C[C@@H]2[C@H](C1)CN(C(=O)OC(C)(C)C)[C@H]2CO)C(=O)OC(C)(C)C 2220102100 HQTRAOPAXXRXIO-KURKYZTESA-N 453.580 2.486 30 10 JEEE CC(C)(C)OC(=O)NCC[S@@](C)(=O)=NC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2247835243 IIMCVJRDRHHFEZ-SSEXGKCCSA-N 459.399 2.205 30 10 JEEE Cc1ccnc(C(=O)NC2CN(C(=O)OCc3ccccc3)C2)c1B1OC(C)(C)C(C)(C)O1 2247916068 PBSSBZSWSFMRCB-UHFFFAOYSA-N 451.332 2.440 30 10 JEEE Cn1ncc(C(=O)NC2CCN(C(=O)OCc3ccccc3)CC2)c1B1OC(C)(C)C(C)(C)O1 2255538669 NZZORFHQPGSNEQ-UHFFFAOYSA-N 468.363 2.250 30 10 JEEE C[C@@H](CNC(=O)OC(C)(C)C)CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2255751874 FQGLJOIGUCLDNO-HNNXBMFYSA-N 454.398 2.425 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](NS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)CCO1 2255795710 XTRFSHZLZQCTRQ-ZDUSSCGKSA-N 474.410 2.267 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](CNC(=O)c2csc(B3OC(C)(C)C(C)(C)O3)c2)[C@@H](O)C1 2255847076 NIMPZPCMJGTHSD-GJZGRUSLSA-N 452.382 2.005 30 10 JEEE CN(C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCN(C(=O)OCc2ccccc2)C1 2255870541 MFHQLFZIHDXHSX-GOSISDBHSA-N 466.347 2.259 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1CN2S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2255952036 NYDROAKEVIHYDA-KBPBESRZSA-N 470.422 2.430 30 10 JEEE CN(C[C@]1(O)CCN(Cc2ccccc2)C1)C(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2267152643 RXBACUOGDRSYBN-HSZRJFAPSA-N 457.405 2.151 30 10 JEEE CC1(C)OB(c2ccsc2S(=O)(=O)NC[C@H]2CCCCN2C(=O)C(F)(F)F)OC1(C)C 2267370384 LGOKCYBXCNRFMX-GFCCVEGCSA-N 482.355 2.269 30 10 JEEE CN(C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)o1)[C@]1(CNC(=O)OC(C)(C)C)CCOC1 2267555666 QNQDFZXBHJEWML-QFIPXVFZSA-N 450.341 2.335 30 10 JEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)N1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2268649502 DDSKJKZIZDKXCW-STQMWFEESA-N 467.401 2.121 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@H]1CNC(=O)c1cc(F)ccc1B1OC(C)(C)C(C)(C)O1 2281790053 QUZNQZGSGFYJED-MRXNPFEDSA-N 464.343 2.491 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)[C@]2(CCOC2)C1 2281800203 GBOWUIXIDZOZKC-RCDICMHDSA-N 479.408 2.341 30 10 JEEE C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1N(C)C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2282015878 PUWUKKLTLJMWTQ-RDJZCZTQSA-N 460.384 2.493 30 10 JEEE Cn1cc(C(=O)NCc2ccc(NC(=O)OC(C)(C)C)nc2)nc1B1OC(C)(C)C(C)(C)O1 2282040217 GLPMHDPIHFZSQM-UHFFFAOYSA-N 457.340 2.391 30 10 JEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C 2282557367 UTWGMMDIIYERKQ-MRXNPFEDSA-N 463.384 2.168 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1COC[C@@H]1NC(=O)c1c(F)cc(B2OC(C)(C)C(C)(C)O2)cc1F 2282567291 LQTYHPYHWJDUAM-HOTGVXAUSA-N 468.306 2.286 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]2C[C@@H]12 2282587019 HHMSINOXNPEYEA-USXIJHARSA-N 460.384 2.330 30 10 JEEE Cc1c(C(=O)NCC2(C)CC(NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282595037 OBGZKHVMAVOQPZ-UHFFFAOYSA-N 462.400 2.451 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2C[C@@H](B3OC(C)(C)C(C)(C)O3)C2)[C@H]2CS(=O)(=O)C[C@@H]21 2282630353 IAFQZFULIWJURN-YVSFHVDLSA-N 484.424 2.104 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H](CNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)C(F)(F)F 2282672179 GDXDERYPFGUTKL-GFCCVEGCSA-N 474.289 2.209 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CC(=O)N=c2ccc(Cl)c(B3OC(C)(C)C(C)(C)O3)[nH]2)C1 2283930878 BBWUHIYLWXESOH-HIFRSBDPSA-N 481.786 2.013 30 10 JEEE CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2ccc(B3OC(C)(C)C(C)(C)O3)cc21 2283951491 XENOBPJAVIIYFN-SFHVURJKSA-N 459.396 2.330 30 10 JEEE CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1sc(C)cc1B1OC(C)(C)C(C)(C)O1 2284058512 NCINXRVHAFCGIN-MRXNPFEDSA-N 482.408 2.428 30 10 JEEE CN(C[C@]1(O)CCCN(Cc2ccccc2)C1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2286419964 RHCNRFDYLDZRGP-RUZDIDTESA-N 453.392 2.413 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2C[C@]2(CNC(=O)OC(C)(C)C)C1 2288248476 YFNGWFBQPYXELV-CMJOXMDJSA-N 460.384 2.189 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2C[C@@]2(CNC(=O)OC(C)(C)C)C1 2288262159 YFNGWFBQPYXELV-NPMXOYFQSA-N 460.384 2.189 30 10 JEEE Cc1ccc(CNC(=O)C2(O)CC(NC(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2296180973 UPKIXQOYJYROOH-UHFFFAOYSA-N 460.380 2.329 30 10 JEEE N#Cc1c(CCCCCNC(=O)C2CCN(S(=O)(=O)C=Cc3ccccc3)CC2)[nH][nH]c1=N 2297370024 STJHBYAUJLQLNX-UHFFFAOYSA-N 470.599 2.236 30 10 JEEE CCOC(=O)N1CCC(NC(=O)C(=O)C=Cc2ccc(OCC(=O)N(CC)CC)cc2)CC1 2325709586 HRPNBBQUAOVQFM-UHFFFAOYSA-N 459.543 2.253 30 10 JEEE C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2scc(B3OC(C)(C)C(C)(C)O3)c2C1 2336501108 IPNQCAUAUNUQTF-GUYCJALGSA-N 466.409 2.206 30 10 JEEE COc1nc(OC2(CN(C)C)CN(C(=O)OC(C)(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2369900786 QVVABAIHCILPML-UHFFFAOYSA-N 463.384 2.319 30 10 JEEE CCc1nnc(CN(C(=O)CSc2nnc(N/N=C/c3ccc(C)cc3)n2N)C(C)C)o1 20918230 GONJUBKNISWKAX-LSHDLFTRSA-N 457.564 2.221 30 10 JEEE CC/C(C)=N/Oc1nc(NC(=O)NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])nc(N(C)C)n1 59366556 IZSBKFPCPPOAGD-LSFURLLWSA-N 486.898 2.174 30 10 JEEE CCOc1ccc(/C(O)=C2\C(=O)C(=O)N(c3ccccc3)[C@]2(C(=O)OC)N2CCOCC2)cc1 102540117 XFODXOXWVLUPIM-IFDPLDCXSA-N 466.490 2.172 30 10 JEEE C[C@@H]1Cc2cc(/C(O)=C3/C(=O)C(=O)N(CCN4CCOCC4)[C@@H]3c3cccc(O)c3)ccc2O1 104027693 HUDXMGLAYWAIDP-PQIZCFMPSA-N 464.518 2.470 30 10 JEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)S(=O)(=O)c2c(Cl)nc3ccccn23)c1 750566181 FTIDOHUSZNAPAU-UHFFFAOYSA-N 458.927 2.023 30 10 JEEE C#CCN(CC(=O)O)C(=O)[C@H](CCOC)NC(=O)OCC1c2ccccc2-c2ccccc21 757321681 LEMILCOTEYBLBE-QFIPXVFZSA-N 450.491 2.477 30 10 JEEE C#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1C[C@@H](C(=O)O)C[C@@H](O)C1 757413096 JVCVWIYWJWDXHV-MFEFFIJZSA-N 462.502 2.211 30 10 JEEE C=CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)N2CCN([C@@H](C)c3ccccc3)CC2)c1 794518676 VFNJJMAODDPFPC-IBGZPJMESA-N 471.579 2.213 30 10 JEEE COc1cccc(CNC(=O)CSc2nnc(NN=Cc3ccc(C)cc3)n2N)c1OC 1084544833 XQPGHDBWYYENEV-UHFFFAOYSA-N 455.544 2.172 30 10 JEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1286370406 LFXBSWDSYNELGU-OAHLLOKOSA-N 469.537 2.192 30 10 JEEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(NC(=O)c2ccco2)cc1 1286377612 ZKAHLQXYHMUPBK-KRWDZBQOSA-N 453.524 2.143 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1Cc1cccnc1OC)[C@H]1CCS(=O)(=O)C1 1286381370 GGDUEZKPYYRIDI-IBGZPJMESA-N 467.551 2.032 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCc1nc(C)no1 1286427817 NBQLJAPKJMIQMH-IBGZPJMESA-N 483.573 2.374 30 10 JEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](C)CN(C)C(=O)OC(C)(C)C)CC1 1286484829 PUJXZYLIJDLBQD-LJQANCHMSA-N 484.649 2.398 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)Oc1ccc(OC)cc1 1286516028 BFRJEIRHLISFCV-DRSNIGMVSA-N 461.588 2.357 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(c2cnn(CC)c2)CC1 1286546384 IWQMIBRQPMMZPW-CUWPLCDZSA-N 491.662 2.470 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(CC(C)C)C(=O)C1 1286789715 HFCIJTBKNYYYSG-UHFFFAOYSA-N 454.575 2.081 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 1286818499 JNHLKXRFXZOJLM-UHFFFAOYSA-N 484.582 2.241 30 10 JEEE CC(C)NC(=O)c1nnc(N(C)C[C@H](C)C#N)n1Cc1ccccc1CN1CCC[C@@H]1CO 1286959846 IDVYIAMLAVECDA-WIYYLYMNSA-N 453.591 2.017 30 10 JEEE CCN(c1nnc(-c2cccc(C#N)c2)n1CC1(S(C)(=O)=O)CCCC1)[C@H]1CCS(=O)(=O)C1 1295173359 BGSBBHYYVZGZCX-IBGZPJMESA-N 491.639 2.188 30 10 JEEE CNC(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1299258798 BYTPWCCEUKKJAQ-UHFFFAOYSA-N 462.558 2.195 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1ccc(COCC)cc1)[C@H]1CCS(=O)(=O)C1 1300487054 FAJJEGGWZWJDMJ-FQEVSTJZSA-N 453.568 2.485 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1CCNC(=O)c1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1300496558 SDGLBJQFUQAGGX-QGZVFWFLSA-N 475.590 2.063 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1ccnc(SCC)c1)[C@H]1CCS(=O)(=O)C1 1300499436 RSRNDKGWZRAXES-FQEVSTJZSA-N 482.635 2.446 30 10 JEEE C#CCN1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@@]2(O)CCSC2)CC1 1300699857 IHWKSVWIGHTHRX-DEOSSOPVSA-N 490.674 2.016 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC[C@@H]2CCCCO2)CC1 1300716814 RQYJAEPARXBIDC-OFVILXPXSA-N 473.618 2.244 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCCN2CCOCC2)CC1 1300718117 BJURZVKJRDCVNB-UHFFFAOYSA-N 486.020 2.072 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2CCS(=O)(=O)c2ccccc2)CC1 1300729277 TWXNOGUKYKBMKP-UHFFFAOYSA-N 483.638 2.451 30 10 JEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1Br 1301297676 SOFCQEUMOAGRJZ-MRXNPFEDSA-N 470.393 2.044 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccccn2)n1C[C@@]1(O)CCS(=O)(=O)C1 1301351226 MYROYTQPWOIUBE-QFIPXVFZSA-N 457.531 2.221 30 10 JEEE C=CCn1c(N2CCN(CC(=O)Nc3cccc(C)c3C)CC2)nnc1[C@]1(OCC)CCOC1 1301474273 XLDYCZQCUZQGGK-VWLOTQADSA-N 468.602 2.494 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCNS(=O)(=O)CC)C1 1301566611 AESQVJZZYQKXMR-MSOLQXFVSA-N 498.650 2.071 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1301578414 ADWZZPMQWZUEDW-HNNXBMFYSA-N 458.510 2.014 30 10 JEEE CC(=O)N1CCN([C@@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3C[C@@](C)(O)C(C)C)C[C@@H]2C)CC1 1301765292 MBGUNALELIHACY-RQADYFSKSA-N 479.629 2.213 30 10 JEEE CCN(CC)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cc(C)no2)CC1 1313647808 HNYKPCRQAWYWAD-UHFFFAOYSA-N 462.558 2.152 30 10 JEEE C#CCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1358925125 UKRKBAYNLRDUCU-UHFFFAOYSA-N 473.599 2.428 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1CCOCC)[C@@H]1CCS(=O)(=O)C1 1358959703 NZJLFTMUSJYQDN-MRXNPFEDSA-N 452.964 2.270 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@](C)(O)[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1358964796 HOCUDLDITLTSEA-XERREHJYSA-N 465.645 2.058 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(COC)CCOCC1 1358979043 BAWRIKWJUITYEH-HXUWFJFHSA-N 487.601 2.103 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccn2C)n1C[C@H]1CCN(S(C)(=O)=O)C1 1359016203 UAUYLRLISGFIQK-IBGZPJMESA-N 470.574 2.344 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cnn(-c3ccccc3)c2)n1CCCNS(=O)(=O)CC 1359069055 ZLICCTSPURPGPY-HSZRJFAPSA-N 467.599 2.452 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1359296278 DFJXGFFADBLXSR-AWEZNQCLSA-N 466.464 2.049 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 1359297591 VQIAZVHCYKARHI-GOSISDBHSA-N 462.558 2.144 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N(C)C1CCC2(CC1)OCCO2 1359333555 BIVAHSCLBCEUDO-UHFFFAOYSA-N 481.644 2.357 30 10 JEEE CC(C)(C)[S@](=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1359588975 CCYVPEYAEQWZHB-MNHHGFCNSA-N 470.599 2.226 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@@H]1CC1(C)C 1360707632 HSNMLWZFCRYORD-PXNSSMCTSA-N 471.631 2.128 30 10 JEEE N#Cc1ccc(O[C@@H]2CCN(C(=O)CNS(=O)(=O)c3ccc(Cl)c(Cl)c3)C2)nc1 1468538090 FYQZKRDLPSPCHN-CYBMUJFWSA-N 455.323 2.218 30 10 JEEE CCC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)N2CCOCC2)CCO1 1500282846 DBTIIMAMQILSRC-SIKLNZKXSA-N 454.575 2.455 30 10 JEEE CN(CC1CCC1)c1nnc(-c2cccc(C#N)c2)n1CCS(=O)(=O)N1CCSCC1 1503533019 AKAQLGNWYXBVTM-UHFFFAOYSA-N 460.629 2.432 30 10 JEEE COCC1(CCn2c(-c3cccc(C#N)c3)nnc2N2CCCN(S(C)(=O)=O)CC2)CCC1 1504621293 GEIQXMQWPNIWSN-UHFFFAOYSA-N 472.615 2.495 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1507514572 OKKWDVUOFQLHOM-WMZOPIPTSA-N 453.595 2.155 30 10 JEEE C#CCCCCn1c(CC(C)C)nnc1N1C[C@@H]2[C@H](C1)[C@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1507568950 VANNQMRPHNNLJR-GUDVDZBRSA-N 479.647 2.407 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@H](C)N1CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1507631790 GFIQMGSQNRFJSX-MHTWAQMVSA-N 463.648 2.267 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H]1CCCN(C(C)=O)C1 1507711781 ZLNKGCOPRYUXET-KNQAVFIVSA-N 453.543 2.135 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCN2CCOC(C)(C)C2)CC1 1507719591 OZDWTEHZFLLTAA-FQEVSTJZSA-N 470.593 2.423 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCOc1ccc(F)cc1 1507773930 YKLXRYKDBZFUHF-NZQKXSOJSA-N 491.589 2.211 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1507805890 LLIZRUNJORKLFK-MDKPJZGXSA-N 472.615 2.308 30 10 JEEE C=C(Cl)Cn1c([C@@H](C)OCCOC)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1507856866 FSZGPLNRYLJQLI-HZPDHXFCSA-N 451.959 2.152 30 10 JEEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1507936083 XPYSJZPFIIVXHG-UXHICEINSA-N 492.690 2.106 30 10 JEEE C=CCCOCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1507957825 WJBCCXAUHQXRNE-IBGZPJMESA-N 454.531 2.381 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@@H](CN2CCOCC2)C1 1508072080 DWOYNBRHJZRRBM-YADHBBJMSA-N 482.629 2.496 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN([C@H](C)c2nc(C(C)C)no2)CC1 1508090993 QXIUAIMDUZIBQF-MSOLQXFVSA-N 472.594 2.212 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2C[C@H](C)[C@H](N3CCOCC3)C2)cc1 1508096050 AQUUPWUSGHJYIP-SIKLNZKXSA-N 468.602 2.186 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1508136826 VTEGALOCFUUDBW-QZTJIDSGSA-N 477.631 2.482 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1508142748 BEUGKTBCKRUWJW-FQEVSTJZSA-N 479.672 2.080 30 10 JEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2ccccc2)CC1 1508160872 IZBXPCLKAZCZBT-LJQANCHMSA-N 475.640 2.062 30 10 JEEE CC(C)(C)[S@@](=O)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@@](F)(C#N)C1 1508697590 DAQDWPGXQJUNCI-CGKQSPDFSA-N 481.623 2.227 30 10 JEEE C[S@](=O)C1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)CCC1 1519625799 ADOKWBSZGOOOQB-PBYQXAPXSA-N 461.613 2.131 30 10 JEEE C=C[C@@H](C)NC(=O)CCCC(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2OC)CC1 1533711829 KOSZBDGNQKDBQF-OAHLLOKOSA-N 457.980 2.043 30 10 JEEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC2(CCN(C)C2=O)CC1 1539125010 JVKBQGFLOWJZHC-IBGZPJMESA-N 486.617 2.449 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@]1(C)COCCO1 1539264229 XZGUYEAUVVVAJH-YADARESESA-N 457.575 2.271 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@H](C2CC2)N(C)C)CC1 1539488063 FWVHQTQAMDKUJJ-HSZRJFAPSA-N 464.614 2.472 30 10 JEEE C=C(C)COCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1539744358 JLYJAZLURDBFCN-INIZCTEOSA-N 472.571 2.200 30 10 JEEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1540853467 NSBQWYKUOUEDQP-UHFFFAOYSA-N 468.993 2.493 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1540865783 SFMTVVCQSAGGNM-DLBZAZTESA-N 473.375 2.257 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@@H]1c1nncn1C 1540875065 ANCKJOMQVCVPJY-QGZVFWFLSA-N 456.938 2.283 30 10 JEEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(CC(=O)N2CCc3ccccc32)CC1 1540908013 OJAWFPWJXAHPFV-UHFFFAOYSA-N 497.669 2.047 30 10 JEEE C=CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1540916349 AHUGWKGVNDYLFF-PXNSSMCTSA-N 459.572 2.051 30 10 JEEE CC(C)Cc1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CCN1CCCS1(=O)=O 1541465540 AMAHZFYGZIEYOR-UHFFFAOYSA-N 471.631 2.100 30 10 JEEE CC(C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCCN1CCCO[C@H](C)C1 1545091307 DYSFOGOQPODPMT-VQTJNVASSA-N 467.622 2.279 30 10 JEEE C=CCONC(=O)c1cccc(S(=O)(=O)N(C)c2c(C)n(C)n(-c3ccccc3)c2=O)c1 1556632851 GZQLBWIZHFJRJC-UHFFFAOYSA-N 456.524 2.157 30 10 JEEE C=CCC[C@H](CO)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1 1568995632 XVFXLVIVOAPASQ-CHWSQXEVSA-N 451.408 2.355 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CC(F)(F)Br)c1 1587692755 KMTAPSXWKKYGIE-CQSZACIVSA-N 481.301 2.273 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cn3nc(C)cc3C)n2CCN2CC=CCC2)c1 1587697554 SRYZMCAKZJZJPS-UHFFFAOYSA-N 472.597 2.458 30 10 JEEE C#CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CCCNS(=O)(=O)CC 1587945826 QDMHJCLTAQLGTH-UHFFFAOYSA-N 470.393 2.115 30 10 JEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCSCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1588024393 AXIRELQFVVRXBP-HXUWFJFHSA-N 487.651 2.074 30 10 JEEE C#CCN(c1nnc(-c2cccc(Br)c2)n1CC[S@@](=O)CC)[C@@H]1CCS(=O)(=O)C1 1588035159 PMCMKMQZMMGLKZ-UULLZXFKSA-N 499.456 2.103 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CC(C)(C)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1588039692 CCQBLEXIZBYMPC-HXUWFJFHSA-N 492.045 2.336 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccc(N(CC)CC)cc1)[C@@H]1CCS(=O)(=O)C1 1588054984 QWNZVFWBHXTGRO-IFMALSPDSA-N 471.627 2.303 30 10 JEEE C#CCN(c1nnc(COc2ccccc2OC)n1CCc1ccncc1)[C@H]1CCS(=O)(=O)C1 1588069413 NFIGUEFWOCJYGH-FQEVSTJZSA-N 481.578 2.130 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCNS(=O)(=O)CC 1588378434 JQSVJJVGLIUTCO-GOSISDBHSA-N 482.651 2.182 30 10 JEEE C#CCN(CCOC)c1nnc(COc2ccccc2F)n1C[C@@H]1CCCCS1(=O)=O 1588694672 BMHAQHRDVOBSLL-KRWDZBQOSA-N 450.536 2.050 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2csc(-c3ccccc3)n2)CC1 1588741803 IBJLUMHDTCSALX-SFHVURJKSA-N 499.666 2.010 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@@H]2CCCCS2(=O)=O)CC1 1588752507 SXLWLMICOIWSNS-MOPGFXCFSA-N 475.590 2.280 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2Cc2ccc(C)n(C)c2=O)CC1 1588871633 KOLQLXGMYYGLCH-UHFFFAOYSA-N 466.973 2.321 30 10 JEEE C#CCSCCn1c(N2CCN(c3cc(C#N)ccn3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1589124948 FSAPXSAVBJUAKR-DEOSSOPVSA-N 481.626 2.278 30 10 JEEE C#CCSCCn1c(N2CCC[C@@H](n3nc(C)nc3C)C2)nnc1[C@]1(OCC)CCOC1 1589125218 HJTLVWPRDAMNFG-KNQAVFIVSA-N 459.620 2.346 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)N(C)Cc1ccccc1 1589151309 WZGYOYLJWYBJAK-SELNLUPBSA-N 458.632 2.401 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCSCC(C)C)CC1 1594241583 VKXNTCMFKOZTSG-GOSISDBHSA-N 457.666 2.403 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(C)nn1C 1595075980 QDDWFXOHTIJRDL-IBGZPJMESA-N 470.599 2.472 30 10 JEEE C=CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1595399016 PAWFGRSXDXXXPD-LJQANCHMSA-N 496.616 2.399 30 10 JEEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1595461047 MHMLKRYRYUSFTC-HOTGVXAUSA-N 471.566 2.068 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H]1c1nncn1C 1595602074 DWNLXZYECDLQCT-IRXDYDNUSA-N 485.593 2.122 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Br)s3)n2CCS(=O)(=O)N(C)C)C1 1595689594 VRYYIVVDUMEIHK-CYBMUJFWSA-N 490.449 2.442 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](CC)c2ccccc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1595758622 AZGCDHIIXGTKGF-MOPGFXCFSA-N 466.629 2.044 30 10 JEEE CC[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](C#N)C1)NC(=O)OC(C)(C)C 1613654393 HUBZFLDFMKKBAF-QZTJIDSGSA-N 458.567 2.172 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H](C)COCc1ccccc1)[C@H]1CCS(=O)(=O)C1 1689989151 BKAAFXDZVFJGEA-NNWRFLSQSA-N 472.611 2.262 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@]2(C)CN(C)C2=O)CC1 1690111832 KOVBBPJSFDFDGZ-CPJSRVTESA-N 450.587 2.268 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2ccc(OC)cc2)CC1 1690124924 WYRGXPAYTXBHCT-JOCHJYFZSA-N 496.612 2.399 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CC2(OC)CCC(C)CC2)CC1 1690134909 KMDQPAGUKBVSTH-UHFFFAOYSA-N 470.618 2.075 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2cccnc2OC)CC1 1690139763 ZRRFGDTYLMZHIW-UHFFFAOYSA-N 475.509 2.271 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2C[C@H]2CCCN2CC)CC1 1690148467 IGCCUORNXDNRET-OAQYLSRUSA-N 452.578 2.458 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2CCCN2CCCO[C@H](C)C2)CC1 1690150398 GFULHVQIVIFDIR-OAQYLSRUSA-N 470.662 2.478 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H]1CCN(Cc2ccccc2)C1 1690288352 STNMJPUJYLPOLC-VXKWHMMOSA-N 488.658 2.145 30 10 JEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccccc2CN2CCC[C@H]2CO)CC1 1690364851 YRHAVVNCZOTTIB-KNQAVFIVSA-N 488.658 2.050 30 10 JEEE C=CCCCn1c(COc2ccc(C)cc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1690492213 QEDBIBDCDWYCKH-UHFFFAOYSA-N 454.575 2.305 30 10 JEEE C=CCN(CC=C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN1CCOC[C@@H]1C 1690591901 ZEPNRYZSFCXMLW-SFHVURJKSA-N 459.620 2.137 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(C)[C@@H](C)c1ccc([S@@](C)=O)cc1 1690722556 NNQGLIYMIDFGGM-AZYRPFHASA-N 476.628 2.214 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 1690725208 IKJCDWZETMUUSY-KRWDZBQOSA-N 455.625 2.428 30 10 JEEE O=C(Cn1c(COc2ccccc2F)nnc1N1CCO[C@@H](C(F)(F)F)C1)NCC(F)(F)F 1698514087 BHBOEHGFHGOTOE-CYBMUJFWSA-N 485.360 2.442 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1(C(N)=O)CCCC1 1705478591 DRGHGLKCLVMREX-HNNXBMFYSA-N 457.604 2.050 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C)c2nccs2)c1 1705507066 QRJXWSVRAXOGOY-FUHWJXTLSA-N 498.634 2.497 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](c2nc(C)c(C)s2)C1 1705535090 ZYVZCBKODAACKY-RTBURBONSA-N 492.671 2.482 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1c(CC)nn(C)c1CC)[C@H]1CCS(=O)(=O)C1 1705567648 XWSWRZXIDJLDJO-UWJYYQICSA-N 474.631 2.053 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@H](C)CN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1705569624 IUISXTXXMQLVHN-IFMALSPDSA-N 470.643 2.013 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@]1(O)CCN(C)C1 1705619697 ZCJAIEBUMXKBQM-LOSJGSFVSA-N 471.577 2.164 30 10 JEEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1c(CC)noc1C 1705628802 PKOZLFZBIJHLKZ-UHFFFAOYSA-N 464.574 2.445 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(OCC)cc2)CC1 1705644698 ZKUVUPYPGYXEQJ-UHFFFAOYSA-N 487.564 2.338 30 10 JEEE C#CCSCCn1c(N2CC[C@@H]3[C@@H](CC(=O)N3C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705665195 MOBHEPMWIVXUJN-INDMIFKZSA-N 488.658 2.472 30 10 JEEE C=CC1CCN(c2nnc(C(=O)N3CCCC3)n2CCOc2ccc(S(C)(=O)=O)cc2)CC1 1705776022 VFMWLXFIHNEEIQ-UHFFFAOYSA-N 473.599 2.399 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C)Cc2ccccc2C1 1705884371 MSOCYDAVXFYRCM-NRFANRHFSA-N 489.642 2.055 30 10 JEEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 1705888202 KIXSPAXOLYTTBS-SFHVURJKSA-N 487.586 2.466 30 10 JEEE C=CCn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1705892229 NWRAPFGBXKVUJZ-HXUWFJFHSA-N 475.615 2.291 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(C(=O)N(C)CCCC)CC1 1705899430 SEVUVIZVSFNEGC-UHFFFAOYSA-N 496.612 2.493 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1705931327 MMAOSZYKAACHEN-PKOBYXMFSA-N 475.615 2.236 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1705933322 CAYRAJBUHASNAK-INIZCTEOSA-N 479.006 2.089 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCOc1ccccc1 1706619317 CEPWVCLRDYGSIH-UHFFFAOYSA-N 460.542 2.089 30 10 JEEE Cc1ccccc1OCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1707683378 CWCAKCAVBIAQMW-UHFFFAOYSA-N 474.569 2.397 30 10 JEEE C[C@H]1CN(CCCn2c(CN3CCCC3=O)nnc2N(C)Cc2ccc(C#N)cc2)C[C@@H](C)O1 1708248825 HUBRPRFKEZXQNT-BGYRXZFFSA-N 465.602 2.408 30 10 JEEE CCCN(CCn1c(N2CCO[C@@H](C#N)C2)nnc1[C@]1(OCC)CCOC1)C(=O)OC(C)(C)C 1709740378 HKJKENWJFQSAAV-MBSDFSHPSA-N 478.594 2.306 30 10 JEEE CCN(CCS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCOC[C@@H]1C 1710170412 AAHLQZQMOFVJQR-PKOBYXMFSA-N 461.588 2.272 30 10 JEEE C#CCCCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1722324407 QZORPWLSDNDIGT-IBGZPJMESA-N 494.596 2.157 30 10 JEEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1722327105 VYQILCLIRNADBA-GOSISDBHSA-N 488.434 2.202 30 10 JEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CCc1noc(CC)n1)[C@H]1CCS(=O)(=O)C1 1722358441 BTTUIMRMTQLSIS-KRWDZBQOSA-N 474.974 2.413 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1cccc(C(OC)OC)c1)[C@@H]1CCS(=O)(=O)C1 1722360511 IJBVRKJDVWNORM-HXUWFJFHSA-N 481.578 2.307 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2nc(C)cs2)CC1 1722437918 RESBPZHCGMDJJD-SFHVURJKSA-N 487.630 2.155 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@]2(C)CN(C)C2=O)CC1 1722444378 IVRTWEBTEIENST-NSYGIPOTSA-N 482.560 2.001 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCOCc2ccccc2)CC1 1722448644 WTCKSGGCFDVFFS-QFIPXVFZSA-N 451.571 2.355 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OCC)n2CC2(O)CCC2)CC1 1722450503 KPWWVBVJSLQHGS-UHFFFAOYSA-N 467.570 2.137 30 10 JEEE C#CCSCCn1c(COc2ccc(F)cc2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1722465165 FHCWCPWZDVGRMW-GOSISDBHSA-N 458.563 2.403 30 10 JEEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)OCC)CC1 1722492551 CCKTTXCHRVKZCD-GJZGRUSLSA-N 458.357 2.189 30 10 JEEE C=C(C)Cn1c(N2CCN(CC(=O)NC3CCCCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1722526191 RKVNVKUJVXWFHA-RUZDIDTESA-N 474.650 2.466 30 10 JEEE C=CCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1722684392 PHKQOGAUAGQYJH-HNNXBMFYSA-N 475.347 2.375 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1CCCN1C[C@@H](C)C[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1740621785 PCUJXNHASJCNRS-HBMCJLEFSA-N 472.659 2.278 30 10 JEEE C#CCN(c1nnc(COc2ccccc2OCC)n1CC1=CCCOC1)[C@@H]1CCS(=O)(=O)C1 1740628826 UXSFBSJPRQDFRN-HXUWFJFHSA-N 486.594 2.229 30 10 JEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCc1nccs1 1740633117 VYLUDSFYWRVVJB-UHFFFAOYSA-N 453.597 2.319 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1cc(C)nn1C 1740687671 JGSNFFQIMATQOZ-HDICACEKSA-N 457.579 2.225 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2CCCN2C[C@H](C)O[C@@H](C)C2)CC1 1740694144 ZWMBETDDZHICQG-SFTDATJTSA-N 452.603 2.208 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OC)n2CC2([S@@](C)=O)CCC2)CC1 1740707517 FRVJSJYLQHJLBO-PGUFJCEWSA-N 499.637 2.133 30 10 JEEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1740747409 IPFHCKKFXVRPAF-MRXNPFEDSA-N 463.384 2.359 30 10 JEEE C=C(Br)Cn1c(N2CC[C@@H](N3CCN(CC)CC3)C2)nnc1[C@@]1(OCC)CCOC1 1740748106 AAKQLSKEYWBRJH-WIYYLYMNSA-N 483.455 2.055 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccnc2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1740758489 XYBZYLUNUMXWQL-SXLOBPIMSA-N 460.604 2.087 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@](C)(C(=O)NC)C1 1740762275 CQEZUKCNCKYIDM-NVVBAYIOSA-N 472.615 2.213 30 10 JEEE C=C(C)COCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCCN(CC)C(=O)C1 1740795077 NFOWMHZYRPDQAU-UHFFFAOYSA-N 468.606 2.103 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@]2(C)CCCS2)CC1 1740838881 ANBHXALYWMCKEP-PXNSSMCTSA-N 455.650 2.299 30 10 JEEE C=CCOc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@@H]2CCSC2)cc1 1740967610 LOFBAQWLCBTQEW-UYAOXDASSA-N 493.655 2.166 30 10 JEEE C=CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1740997469 TYXZRDSXESUFPC-QGZVFWFLSA-N 468.587 2.405 30 10 JEEE Cc1cccc(OCc2nnc(N3CCN(c4nccnc4C#N)C[C@@H]3C)n2CC(=O)NC(C)C)c1 1742362641 CDOHJPFZOTVFMU-IBGZPJMESA-N 489.584 2.067 30 10 JEEE CN(C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCOC2)CC1)S(C)(=O)=O 1747662103 AEEYIYLXYPJNTK-LJQANCHMSA-N 488.614 2.016 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CC(=C)Cl)n1 1748971221 IGDKUTOJRZFOIT-UHFFFAOYSA-N 492.971 2.427 30 10 JEEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1749039810 BYNZYFPOKUMBRB-UHFFFAOYSA-N 478.626 2.010 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1749683251 NDJFGWHOVPEFSN-CVDCTZTESA-N 480.569 2.224 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl 1760155490 ZQSFEEQZBLXCBC-DAYGRLMNSA-N 476.430 2.045 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1ccc(F)c(COC)c1)[C@@H]1CCS(=O)(=O)C1 1760188247 NYOPHWNUVYXPOK-TZIWHRDSSA-N 476.574 2.480 30 10 JEEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1C[C@]1(O)CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1760191080 AGJMQGCIIVXTAX-AXHZCLLHSA-N 488.610 2.044 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1Cc1ncccc1C)[C@@H]1CCS(=O)(=O)C1 1760191323 FNNQTSKMTIIISY-HXUWFJFHSA-N 476.562 2.107 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccsc2)CC1 1760266226 SWSHDFCUEXOXPR-QHCPKHFHSA-N 457.600 2.394 30 10 JEEE C=C(C)Cn1c(COc2ccc(OC)cc2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1760348131 UPXLGJNDEFKDBX-GOSISDBHSA-N 454.575 2.231 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2c(F)cccc2F)CC1 1760356487 OMKNMGANKWHDFT-SFHVURJKSA-N 474.512 2.063 30 10 JEEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1760407954 VZEGRPLNGMLIER-IBGZPJMESA-N 480.617 2.271 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CN2CCCC2=O)n1C[C@@H]1NC(=O)CC1(C)C 1760480143 MMEGGDZCMZWDIN-FQEVSTJZSA-N 461.570 2.379 30 10 JEEE CN(C)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1)C1CCCCC1 1766893815 HLRGLYRYNBOAAY-UEXGIBASSA-N 452.600 2.133 30 10 JEEE CN(CCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)OC[C@@H]2C1)CC(F)(F)F 1768885244 DWYDRYASSJLHDO-KRWDZBQOSA-N 463.464 2.342 30 10 JEEE COc1ccc(CCc2nnc(N3CC[C@](F)(C#N)C3)n2CC(=O)NCC(F)(F)F)cc1 1770127250 DFIZDCNXAXIJAJ-IBGZPJMESA-N 454.428 2.192 30 10 JEEE N#C[C@@]1(F)CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccnc(OCC(F)(F)F)c2)C1 1770726105 AGDUZUASNDFNNV-IBGZPJMESA-N 467.427 2.340 30 10 JEEE COC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ccc(C#N)cn2)CC1)OC 1770760682 FKTIMVALJQKCAR-NRFANRHFSA-N 458.526 2.071 30 10 JEEE CC(C)(C)C(=O)OCOC(=O)[C@@H]1N[C@@H]([C@H](/N=C/N2CCCCCC2)C(=O)O)SC1(C)C 1848432726 WDPMCVJSIGRIOZ-IYCHMJBESA-N 457.593 2.244 30 10 JEEE O=C(C1=C(O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccc(O)c([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 1862743499 CAYPMIMASVCVHS-HXUWFJFHSA-N 498.448 2.119 30 10 JEEE CC(=O)Nc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N(CCCN3CCOCC3)C2=O)cc1 1863192960 IHSOWLNVIHPWTQ-UHFFFAOYSA-N 473.533 2.431 30 10 JEEE N#C[C@@H](c1cccs1)N1CCC(C(=O)N[C@@H](CO)C(=O)Nc2ccc3nc[nH]c3c2)CC1 1866866441 HMNMSSNVJJBYKM-OALUTQOASA-N 452.540 2.017 30 10 JEEE COCCN1CC(=O)C(c2nc(C)cs2)=C1NC(=O)[C@H](C(C)C)N1C(=O)c2ccccc2C1=O 1873710592 LOEYWKGXTFHNEV-IBGZPJMESA-N 482.562 2.088 30 10 JEEE NC(=O)CSc1nnc([C@@H]2CC(=O)N(Cc3ccccc3)C2)n1/N=C/c1ccc2c(c1)OCCO2 1874210453 UPWXXAYMCSOHHI-ROJKJRQJSA-N 492.561 2.025 30 10 JEEE COc1cc(OC)c(OC)cc1/C=N/n1c(CCOc2ccccc2)nnc1SCC(N)=O 1874345476 QDXMLKNDPKCUSO-ZMOGYAJESA-N 471.539 2.385 30 10 JEEE CCN1CCN(CC#CCOC2CCN(C(=O)COc3ccccc3Br)CC2)CC1 1890282133 UUZHAEIZEOTWDI-UHFFFAOYSA-N 478.431 2.476 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CO)CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)s1 2247823544 PLMLDDVNIQQHHS-LLVKDONJSA-N 460.789 2.316 30 10 JEEE C[C@H](CNC(=O)OC(C)(C)C)CNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2255794605 AGTLCBVSATUMPO-CYBMUJFWSA-N 475.442 2.023 30 10 JEEE CC(C)(C)OC(=O)N1[C@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)CCC12CC2 2256676684 YSQKVMPMONIYMV-LBPRGKRZSA-N 450.370 2.130 30 10 JEEE C[C@H](O)CN(CCNC(=O)OC(C)(C)C)C(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2257589381 FZTMYBYLZLTRJU-AWEZNQCLSA-N 454.398 2.395 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)C2CC(B3OC(C)(C)C(C)(C)O3)C2)CC1 2267096879 WAFMBKJTGWTUCV-UHFFFAOYSA-N 451.373 2.054 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2O)s1 2267108688 YANIRXRYXWYMNU-CVEARBPZSA-N 466.409 2.456 30 10 JEEE C[C@@H](CCCN(C)C(=O)OC(C)(C)C)NC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2267125458 FKCMTPPDXBPWAV-HNNXBMFYSA-N 450.389 2.485 30 10 JEEE CC[C@@H](CN(C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nn(C)c1C)NC(=O)OC(C)(C)C 2267135107 YUUSWZWNALOKEJ-HNNXBMFYSA-N 450.389 2.403 30 10 JEEE Cc1cc(C(=O)N[C@H]2COC[C@@H]2CNC(=O)OC(C)(C)C)oc1B1OC(C)(C)C(C)(C)O1 2267527895 NXSKLLPQOBAVSG-GJZGRUSLSA-N 450.341 2.157 30 10 JEEE Cc1cc(S(=O)(=O)N[C@@H]2C[C@H]2CNC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2267703882 DJPULMQWCAOFPT-MAUKXSAKSA-N 466.409 2.486 30 10 JEEE CN(C1CN(C(=O)OC(C)(C)C)C1)S(=O)(=O)Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2267709948 KWPXBHKTLRUFRD-UHFFFAOYSA-N 466.409 2.367 30 10 JEEE C[C@@H]1C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2268710440 IELMAMSQZFJMIP-MGPQQGTHSA-N 466.413 2.479 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CC(C(=O)NCc2ccc(B3OC(C)(C)C(C)(C)O3)s2)=C[C@H]1O 2268716372 UKQRIPJRBNNDAA-JKSUJKDBSA-N 464.393 2.248 30 10 JEEE CC(C)(C)OC(=O)N1[C@H](CNC(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)C[C@H]2OCC[C@H]21 2281802744 OBHMZZQUARLVPM-NUEKZKHPSA-N 479.408 2.339 30 10 JEEE Cc1c(C(=O)N2C[C@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281803445 XDMAGEBCMGVQGA-GASCZTMLSA-N 462.400 2.498 30 10 JEEE Cn1ncc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C3(CCC3)C2)c1B1OC(C)(C)C(C)(C)O1 2281815520 ROOMZFAUAQGMEF-OAHLLOKOSA-N 460.384 2.381 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCOC[C@@H]1OCc1ccccc1 2282014240 OTZKAGUPMMROPM-PMACEKPBSA-N 455.364 2.306 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](NS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1(C)C 2282353422 VIMJUFRNHHMENA-KRWDZBQOSA-N 481.424 2.447 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@](F)(CNC(=O)c2occc2B2OC(C)(C)C(C)(C)O2)C1 2282533411 KYZRHFKWPAIREQ-QFIPXVFZSA-N 468.331 2.284 30 10 JEEE CCn1cc(C(=O)N[C@H]2CCOC[C@@H]2OCc2ccccc2)nc1B1OC(C)(C)C(C)(C)O1 2282537733 VMHIVGMMOCTPAF-ICSRJNTNSA-N 455.364 2.306 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)C1 2282569687 VDVBFPQNSPMCIA-HOTGVXAUSA-N 462.400 2.485 30 10 JEEE CC(C)(C)OC(=O)N[C@@]1(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2O)CCOC1 2282975818 PFOVNLALYIXPJX-HSZRJFAPSA-N 462.352 2.105 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H]2CN(C(=O)c3nccnc3B3OC(C)(C)C(C)(C)O3)CC[C@@H]21 2283068886 MILAXBFVVFEUSG-HOTGVXAUSA-N 458.368 2.247 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@H](CC(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C1 2284125861 QHMUCZWRCNTIHJ-OAHLLOKOSA-N 481.424 2.332 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N(C)CC1(O)CN(C(=O)OC(C)(C)C)C1 2287297390 LVIBZBSOVCSNFW-UHFFFAOYSA-N 460.380 2.348 30 10 JEEE C[C@@H]1CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)CC2(CN(C(=O)OC(C)(C)C)C2)O1 2288575852 OXMFNQCUCBKTFP-OAHLLOKOSA-N 462.352 2.429 30 10 JEEE CCn1cc(C(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)nc1B1OC(C)(C)C(C)(C)O1 2359268525 TZJSXRJHWUELCP-BFYDXBDKSA-N 460.384 2.330 30 10 JEEE COc1cc(/C=N/Nc2nnc(SCC(=O)Nc3ccc(F)cc3)n2N)cc(OC)c1OC 20827309 SCSMNJXXOCUMQF-AUEPDCJTSA-N 475.506 2.334 30 10 JEEE C#CCN(C(=O)c1ccc(S(=O)(=O)Nc2cccc(C)c2C)cc1)[C@@H]1CCS(=O)(=O)C1 729332525 ZCETXAIBBGTLDP-LJQANCHMSA-N 460.577 2.367 30 10 JEEE COc1ncccc1CN1C(=O)[C@@H](CC(=O)Nc2cnccn2)S/C1=N\CCc1ccccn1 730722171 DMYVHJHIYVCQBO-XJPPPLFUSA-N 477.550 2.347 30 10 JEEE CC#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](CN(C)C)C(=O)O 757203093 WDKGJBVVQKWTBW-GOTSBHOMSA-N 463.534 2.438 30 10 JEEE C#CCN(C(=O)CCN1C(=O)CCNC1=S)[C@H]1CCOc2ccc(Br)cc21 1136804625 HCGKFFKFBGISDU-HNNXBMFYSA-N 450.358 2.231 30 10 JEEE C#CCN1CCCN(C(=O)C2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)CC1 1136862041 VVTKZSIEUVRLOM-UHFFFAOYSA-N 457.518 2.274 30 10 JEEE COC(=O)COc1ccc(CN(C)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 1226110560 FUWONUBUPJJZPB-OAQYLSRUSA-N 450.495 2.447 30 10 JEEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1ccc(N2CCOCC2)nc1 1286359483 XLNGBGKEGDAWNC-UHFFFAOYSA-N 479.972 2.211 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCN1CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1286380129 AGRJUWUYJUNXQJ-WBVHZDCISA-N 495.447 2.147 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1CCn1cc(Br)cn1 1286407535 LNAFCOWSMQZIEI-UHFFFAOYSA-N 477.326 2.326 30 10 JEEE C#CCN(CC)c1nnc(-c2cc(Br)cn2C)n1CCCN1CCC[C@H]1C(=O)N(C)C 1286436402 HEASNUXRPNTWJC-SFHVURJKSA-N 490.450 2.448 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H]2CC=CCO2)CC1 1286485438 LSPHEZZQPJCKID-HSALFYBXSA-N 456.591 2.149 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2CCN2CCSCC2)CC1 1286492880 QPNIHNSAOLFNPZ-UHFFFAOYSA-N 486.617 2.011 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1CC1(OCCOC)CCOCC1 1286515602 JUIHQJMCTFQUSR-VWNXMTODSA-N 462.591 2.135 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1286552583 QWGNKVDZSALVFV-WDYCEAGBSA-N 481.022 2.445 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(O)CCO[C@@H]1C 1286758520 PHQNIBMEGFXALN-STSQHVNTSA-N 463.579 2.305 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCN1CCOC[C@H]1C 1292114931 CZMAVWGAFQXLIE-HXUWFJFHSA-N 494.644 2.115 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C2CC2)ccc1F 1300307868 JIQQIQDMKLGRQQ-YWZLYKJASA-N 461.563 2.134 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CCC(NS(C)(=O)=O)CC1 1300869135 JWMOALKPKXTVAU-NQIIRXRSSA-N 475.615 2.453 30 10 JEEE CC(C)(C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCOC2(CCOCC2)C1 1302019232 AGMCLXROIAFBFZ-UHFFFAOYSA-N 452.559 2.365 30 10 JEEE CSc1ccc(F)cc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1302652521 BPKNQJXFORQQGY-GOSISDBHSA-N 494.618 2.260 30 10 JEEE CC[C@H](C)N(C)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@](F)(C#N)C1 1305611953 APOJJHUYLMSQET-KKSFZXQISA-N 462.599 2.410 30 10 JEEE CCCN1CCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1313446634 DIXJICQCEBXOJA-SFTDATJTSA-N 471.631 2.209 30 10 JEEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1314556846 ARPDHEHAMBAYCY-FQEVSTJZSA-N 468.587 2.103 30 10 JEEE CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(CCNC(C)=O)Cc1ccc(C)s1 1315047341 ABJVCNRKDNKMKQ-UHFFFAOYSA-N 465.583 2.466 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1CCCN1CCCO 1358870150 GUWRGCQBCDPJSY-XLIONFOSSA-N 458.994 2.166 30 10 JEEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1358906741 RIGKLTUCWQGAJJ-MJGOQNOKSA-N 457.556 2.087 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccccc1CN1CCCC1=O)[C@@H]1CCS(=O)(=O)C1 1358955613 POMWDLPHRRFUDF-OAQYLSRUSA-N 483.638 2.373 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCOCC)[C@@H]1CCS(=O)(=O)C1 1358956120 AOVAZOMPDSUASX-SJLPKXTDSA-N 450.536 2.220 30 10 JEEE C#CCN(c1nnc(C2CCC2)n1C[C@@H](CC(C)C)NC(=O)OCC)[C@@H]1CCS(=O)(=O)C1 1358961669 CXSGSZJGWOWXRK-RTBURBONSA-N 465.620 2.333 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(C)nc3ccccc23)n1CCN1CCN(C(C)=O)CC1 1359018795 CMBLULJTTGMTLV-UHFFFAOYSA-N 475.597 2.052 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2nnc(C)s2)CC1 1359040155 KAZCZJHQWWHRNF-CALCHBBNSA-N 472.619 2.012 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCSCC)CC1 1359040317 PBVRZEFMZHUUSP-UHFFFAOYSA-N 455.588 2.034 30 10 JEEE C#CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1359057077 RVCQNCVAWGQBJU-QZTJIDSGSA-N 491.687 2.076 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCSC1(C)C 1359070831 WGJUERGOKFRIKA-LLGFUMIMSA-N 467.661 2.135 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCCO2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1359098769 FROAOWBGTPKZSE-RLLQIKCJSA-N 467.636 2.409 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1359100801 GOERKWPTRGYPRI-NFBKMPQASA-N 488.658 2.495 30 10 JEEE C=C(Cl)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1359155453 YPUQUCQZCUJHIF-SFHVURJKSA-N 455.993 2.037 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1359296069 WAAPEODXDOBOOK-IEBWSBKVSA-N 471.514 2.157 30 10 JEEE C=CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1359339385 CPFFCCCVDOMHDK-SFHVURJKSA-N 467.603 2.193 30 10 JEEE CC(=O)c1ccc(S(=O)(=O)NCC(=O)N[C@@H](C#N)c2cccc(Br)c2)cc1 1446183249 DMIGTXJBBDDIFH-KRWDZBQOSA-N 450.314 2.311 30 10 JEEE Cc1cc(Br)ccc1NC(=O)CNC(=O)N1CCN(c2ccc(C#N)nc2)CC1 1468005940 ADHQQIUHQJPGBF-UHFFFAOYSA-N 457.332 2.495 30 10 JEEE CO[C@@]1(Cn2c(-c3ccc(Br)s3)nnc2N2CCO[C@H](C#N)C2)CCOC1 1504045733 CKSSPXYNHSSTEE-SJKOYZFVSA-N 454.350 2.303 30 10 JEEE COCC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@](C)(O)c2ccco2)CC1 1504539028 FNAKQGFNSNRPCS-XMMPIXPASA-N 464.526 2.049 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CCN2CCCCCC2)c1 1507550980 SXTLRALRTPOGBJ-NRFANRHFSA-N 463.586 2.161 30 10 JEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](COc2ccccc2)C1 1507564871 YLJXRSKPIPVTTK-TZIWHRDSSA-N 458.584 2.268 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1CCS(=O)(=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1507630452 ZAFNELFZEYNEOP-GOSISDBHSA-N 478.640 2.094 30 10 JEEE C#CCN(c1nnc(CSc2ccc(C)cc2)n1CC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1507637052 GPOGESCPBQQQEY-GOSISDBHSA-N 460.625 2.421 30 10 JEEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1507847172 HIHRGSKSTQFOIK-HXUWFJFHSA-N 481.605 2.130 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1508086858 PHPKLFFRBLOSOT-QFIPXVFZSA-N 493.656 2.003 30 10 JEEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC[C@H](OC)C1 1508091647 WIQULOIXUPYHHL-SFHVURJKSA-N 462.595 2.310 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CCN(c2cnn(C)c2)CC1 1508094084 MVKSPXAHUPMGLL-UHFFFAOYSA-N 466.615 2.241 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1508106102 UURXWEXJRINSFD-ICSRJNTNSA-N 475.615 2.161 30 10 JEEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CCCN1CCN(c2ccccc2)CC1 1509950235 CROYKMYUKRVTJE-CTNGQTDRSA-N 450.591 2.180 30 10 JEEE CCN(CC)c1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@@H](CNC(C)=O)C2)cn1 1515526453 HASTXNJELMIQSA-QHCPKHFHSA-N 488.596 2.448 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H](C)COc1ccccc1OC)[C@@H]1CCS(=O)(=O)C1 1539215747 IAPFGCZASMOKBP-RBUKOAKNSA-N 496.593 2.086 30 10 JEEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1CCC(C)(F)F)[C@@H]1CCS(=O)(=O)C1 1539224032 BYCBHNABNCTZLH-QGZVFWFLSA-N 462.526 2.189 30 10 JEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1CCOC[C@@H]1C 1539237986 PBVWLRUIEWBXAB-PKOBYXMFSA-N 454.600 2.292 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)OCCOC)n1CC(=O)N1CCN(c2ccccc2)CC1 1539538476 JGYDFIGGMVSWMP-HFZDXXHNSA-N 480.613 2.343 30 10 JEEE C=CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C(=O)NC)C1)c1ccccc1 1539939583 ISOYCQDXGBJQQV-RLLQIKCJSA-N 474.631 2.211 30 10 JEEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1539986231 WNAPURSFGINMNH-HXUWFJFHSA-N 473.599 2.142 30 10 JEEE C=CCN(CCOC)c1nnc(-c2ccc(F)cc2Br)n1CC(=O)N1CCOCC1 1540194746 ZIIXCEMHQRLCLN-UHFFFAOYSA-N 482.354 2.344 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N(CC)Cc1nc(O)c2ccccc2n1 1540873310 UKDLBTRFSZDQQC-UHFFFAOYSA-N 458.526 2.241 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCc3ccc(O)cc3C2)nnc1[C@@]1(OC(C)C)CCOC1 1540909079 WYPGVBIXNZIYJQ-HSZRJFAPSA-N 476.599 2.188 30 10 JEEE COC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1554567245 AULALIUNNFEVFE-UHFFFAOYSA-N 453.591 2.425 30 10 JEEE COc1cc(OC)cc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2CC2(O)CCS(=O)(=O)CC2)c1 1554791389 DMCMYKVZJYZMDH-JOCHJYFZSA-N 489.598 2.032 30 10 JEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2cc(C)ccc2OC)CC1 1587862411 WSGVXXBPJZGWET-HXUWFJFHSA-N 471.627 2.233 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1cc(Br)cs1)[C@H]1CCS(=O)(=O)C1 1588054919 PXZJGOLVDMGPLE-ZFWWWQNUSA-N 485.429 2.281 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCS(=O)(=O)CC=C 1588458576 HDTBJHSINYTFLQ-KRWDZBQOSA-N 451.593 2.410 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccccc2Br)n1CCC(=O)N1CCOCC1 1588612994 PIKWRBJZXLTGSY-UHFFFAOYSA-N 476.375 2.043 30 10 JEEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 1589060597 UMWWKOGDNHTBCC-WMZOPIPTSA-N 463.629 2.383 30 10 JEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(c2cccc(OC)c2)CC1 1589110786 ZPSZMRFKEPGYEA-UHFFFAOYSA-N 454.600 2.102 30 10 JEEE C#CCSCCn1c(N2CCC[C@H](n3nc(C)nc3C)C2)nnc1[C@]1(OCC)CCOC1 1589125222 HJTLVWPRDAMNFG-UGKGYDQZSA-N 459.620 2.346 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCC2(CCOCC2)C1 1589494168 KMKBWLURMGBLOM-FHWLQOOXSA-N 467.636 2.267 30 10 JEEE C=C1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CCS(=O)(=O)CC)CC1 1594024018 QAZODVFETSTCEE-UHFFFAOYSA-N 466.633 2.138 30 10 JEEE C=CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CCOC)C(=O)C1 1594625603 HPZRXAIFENWVSX-IBGZPJMESA-N 492.621 2.238 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCN(C)CC(F)(F)F)C1 1595674175 NKZOZAXOQGQWLF-OAHLLOKOSA-N 453.469 2.201 30 10 JEEE C=CCNC(=O)CNC(=O)c1ccc(NS(=O)(=O)c2ccc(Br)s2)cc1 1597689782 XNSTZIGUEJDURN-UHFFFAOYSA-N 458.359 2.343 30 10 JEEE CC(C)[C@H]1OCCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1603158147 DHPCDIGJFBKYRL-NHCUHLMSSA-N 472.615 2.350 30 10 JEEE CCCNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(S(=O)(=O)CC)CC1 1614955985 GOGXDNWRRJHYKK-UHFFFAOYSA-N 458.588 2.137 30 10 JEEE COCCN(CCC#N)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1(S(C)(=O)=O)CCCC1 1619910946 AIZRQVYOAYMMRW-UHFFFAOYSA-N 489.598 2.440 30 10 JEEE C=CCn1c(S)nc2cc(C(=O)N3CCN(Cc4cccc(F)c4)C(=O)C3)ccc2c1=O 1628235205 YUPAAOIORNLHRG-UHFFFAOYSA-N 452.511 2.495 30 10 JEEE C=C1CCC(CNC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C\c2ccccc2)CC1 1644303101 ZWEHRLLBIBBKIA-NLBZTSMMSA-N 454.614 2.243 30 10 JEEE Cc1ccccc1CN1CCCN(C(=O)CN2CCN(c3snc(C)c3C#N)CC2)CC1 1658832688 GEUFLEWDKAHBBF-UHFFFAOYSA-N 452.628 2.488 30 10 JEEE CS(=O)(=O)N(CC(F)(F)F)C1CCN(S(=O)(=O)c2cc(C#N)ccc2Cl)CC1 1667312592 FRLOKMCYSUFYEE-UHFFFAOYSA-N 459.899 2.189 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1cccc(C(=O)NCCC)c1)[C@@H]1CCS(=O)(=O)C1 1689980321 PPJXGNONIQPGJL-HXUWFJFHSA-N 471.627 2.390 30 10 JEEE C#CCN(c1nnc([C@@H](C)CC)n1C[C@@H](C)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1689980604 VERRBCGWMVAOPO-BBWFWOEESA-N 453.609 2.332 30 10 JEEE C#CCN(c1nnc(-c2nnc(O)c3ccccc23)n1CC(C)(C)CCOC)[C@@H]1CCS(=O)(=O)C1 1689988048 HUSGWUKZBIOGAG-QGZVFWFLSA-N 498.609 2.283 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@]1(N(C)C)CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1689993042 UQQQMTNWTSWHJV-XTJBDQBJSA-N 484.670 2.401 30 10 JEEE C#CCN(c1nnc(COc2ccccc2CC)n1C[C@@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1689997212 XRNWXWKRFZFGSD-XXBNENTESA-N 460.600 2.207 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2c[nH]c3ccccc23)n1CCN/C(O)=C1/N=CC=CC1=O 1690042838 FCVXGGFEBRUAPN-GYHWCHFESA-N 453.506 2.416 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2CCO[C@@H]2C(=C)C)CC1 1690114728 FOLLJGRURDBQNF-IFMALSPDSA-N 469.611 2.085 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OCCCC)c(OC)c3)n2Cc2ncn(C)n2)CC1 1690119459 GDKZECBYNXJVLJ-UHFFFAOYSA-N 464.574 2.065 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CC(C)(C)c2ccc3c(c2)OCO3)CC1 1690134717 CMYHEVSBQJADFQ-UHFFFAOYSA-N 494.596 2.089 30 10 JEEE C#CCSCCn1c(-c2ccccc2Br)nnc1N1CCO[C@H](CNC(C)=O)C1 1690165571 CANPRMFTJYDRSI-MRXNPFEDSA-N 478.416 2.415 30 10 JEEE C=CCC(C)(C)Cn1c(N2CCN(C(=O)[C@@H]3CCCO3)CC2)nnc1[C@@]1(OCC)CCOC1 1690439766 OQCOUCQVCXWXHM-YADARESESA-N 461.607 2.360 30 10 JEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccccc2C)CC1 1690485610 YDHZFVPDLZSZHU-OAQYLSRUSA-N 474.631 2.212 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc(CN2CCCC2=O)n1C[C@H]1CCN(S(C)(=O)=O)C1 1690572019 QHZLDNXLACJION-SFHVURJKSA-N 490.605 2.014 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1690720360 GRKUGGIPDSHILP-UHFFFAOYSA-N 497.581 2.484 30 10 JEEE Cc1ccc(Cn2c(-c3cccc(Br)c3)nnc2N2CCO[C@H](C#N)C2)c(=O)n1C 1693088130 AOAFLIMLSYDKSW-GOSISDBHSA-N 469.343 2.492 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1CCS(=O)(=O)N(C)C 1705480602 UDKIERMSXUOJKQ-GFCCVEGCSA-N 458.357 2.196 30 10 JEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(Cl)=C(Cl)C1 1705517418 VKTACSLLYVBSHF-INIZCTEOSA-N 462.403 2.314 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCOc1ccc(F)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1705564163 AUMUPCNJZJLGIY-DLBZAZTESA-N 480.537 2.156 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@H](C)CN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1705566064 LREJAQUKBKLOEF-NJYVYQBISA-N 463.648 2.268 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCc1cccc(C(=O)N(C)C)c1)[C@H]1CCS(=O)(=O)C1 1705567290 VLTIAOGKZMTEQK-VXKWHMMOSA-N 499.637 2.091 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1ccccc1COC)[C@@H]1CCS(=O)(=O)C1 1705570681 SLLHJRSMKHJNLH-JOCHJYFZSA-N 465.579 2.085 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1nccs1)[C@H]1CCS(=O)(=O)C1 1705572200 UCKNJMZEKNILMZ-LZLYRXPVSA-N 463.629 2.328 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCS(=O)(=O)CC1CC1 1705581546 DYBUZGVXGUVIOP-FQEVSTJZSA-N 489.642 2.290 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H]1CCCS(=O)(=O)C1 1705598016 YKTCULRWRZEEQA-RXVVDRJESA-N 454.552 2.078 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)ccc3Br)n2CC[S@@](=O)CC)CC1 1705634527 ZUBXOGIVUJRYDQ-LJAQVGFWSA-N 480.432 2.240 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OC)n2C[C@@](C)(O)C(C)C)CC1 1705650903 CAAIRJIWDGMDTI-RUZDIDTESA-N 469.586 2.239 30 10 JEEE C#CCSCCn1c(-c2cccc(Br)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1705655013 ASMQUWQJXYSXDR-UHFFFAOYSA-N 491.459 2.284 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@](C)(c2ccccc2)C1 1705662211 SRWOLESGNFALDC-GCJKJVERSA-N 460.625 2.299 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C(=O)COC)CC1 1705698679 XFDMJXLKHTWNTP-KXBFYZLASA-N 493.406 2.312 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@@H](C(=O)NC)C1 1705700972 AXQCZCSZHPWMTP-VMRPVKRXSA-N 461.513 2.080 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1705707957 VDXPJVAWGZNMRH-SJBKTWHCSA-N 460.623 2.101 30 10 JEEE COC(=O)N1CCC(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C(=O)OC)CC2)CC1 1711467160 FBBQOHVAZBWPIL-UHFFFAOYSA-N 497.556 2.096 30 10 JEEE CSC1(Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3ccccc3C#N)CC2)CCN(C)CC1 1712749758 GTGFTRGXUKRROG-UHFFFAOYSA-N 496.685 2.442 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(Cl)c2)n1CCS(=O)(=O)N1CCSCC1 1722276968 KNBOYHUXIIVJME-OAHLLOKOSA-N 454.021 2.435 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@@](C)(O)CCC)[C@H]1CCS(=O)(=O)C1 1722363768 BVGPJVRMIPNKGT-AOMKIAJQSA-N 466.554 2.325 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1C[C@@H]1NC(=O)CC1(C)C 1722421091 FZAILGXCOSHUIK-IBGZPJMESA-N 452.534 2.094 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@H]2CCC=CO2)CC1 1722433522 YJGMLHKYFFCDJD-LJQANCHMSA-N 453.543 2.419 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccnc(SCC)c2)CC1 1722443227 FEORLAYOTKMCAS-RUZDIDTESA-N 498.653 2.451 30 10 JEEE C#CCSCCn1c(-c2cc(F)ccc2Br)nnc1N1CCN2C(=O)NC[C@H]2C1 1722451914 JXQSVBRZQLKHEU-AWEZNQCLSA-N 479.379 2.427 30 10 JEEE C#CCSCCn1c(COc2ccc(OC)cc2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1722465214 GEKYQTSBYWHPPK-KNQAVFIVSA-N 471.627 2.389 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 1722504897 IDONQLBBSKYCTJ-WELBPKCISA-N 488.614 2.055 30 10 JEEE C=CCCCCn1c(N2CCC3(CC2)NC(=O)N(C)C3=O)nnc1[C@@]1(OC(C)C)CCOC1 1722609631 FSVABJCNKVTEJD-HSZRJFAPSA-N 460.579 2.196 30 10 JEEE CC(=O)NC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCCS2)CCO1 1722848346 HLFMOXOZJDDYGB-RTWAWAEBSA-N 470.599 2.356 30 10 JEEE CC1CCN(CCCn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@@H](C#N)C2)CC1 1726630463 FEURLBBTCCFFLS-SFHVURJKSA-N 457.604 2.120 30 10 JEEE CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCCC2)CC1 1728399737 HFTQCWJKLOTMCK-UHFFFAOYSA-N 478.645 2.293 30 10 JEEE CNC(=O)CC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCn2cc(C)cn2)CC1 1729696749 GZRPHFKTJYPTCJ-UHFFFAOYSA-N 462.558 2.286 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1Cc1ccc(OC)nc1)[C@@H]1CCS(=O)(=O)C1 1740618699 ATOJZDIRDCJDBJ-GOSISDBHSA-N 497.577 2.041 30 10 JEEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@]1(N(C)C)CCSC1 1740670497 QKOUWIDLUNYFQQ-QHCPKHFHSA-N 454.648 2.349 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H](C)Oc2ccccc2OC)CC1 1740701052 SHFPVWYEHSHAOG-QTEQDKRBSA-N 469.586 2.233 30 10 JEEE C#CCSCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1740712416 HTFUFMRLCLQMKL-UHFFFAOYSA-N 459.019 2.366 30 10 JEEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1740719517 NZOQNWJPDMPAIH-UHFFFAOYSA-N 477.656 2.104 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCOC2(CCOCC2)C1)C(C)C 1740927651 WDCZJLGYZARFHK-SFTDATJTSA-N 472.634 2.314 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC2CCN(CC)CC2)C1 1740981122 NXQBWHFMSPWQFX-WOJBJXKFSA-N 451.637 2.084 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCCO[C@@H](c2ccccc2)C1 1740986054 QZBTVQXTTOETMH-HXUWFJFHSA-N 473.599 2.083 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@](C)(OC)CC1 1740987390 FYRNSBFIYJYTSK-JOCHJYFZSA-N 496.655 2.345 30 10 JEEE C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CC1([S@@](C)=O)CCC1 1741136630 BCTFRTQFUZLPLN-VJEWJGBVSA-N 463.629 2.376 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1ccccc1OCC)[C@@H]1CCS(=O)(=O)C1 1748817539 LXRYZQDVNQSLPE-WOJBJXKFSA-N 458.584 2.246 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@@H]1CCO[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1748824554 QFETVTNIICPNAQ-GUDVDZBRSA-N 476.574 2.438 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCN1CCN(CC)CC1 1748847942 ZALNYKDTCRQQHJ-QHCPKHFHSA-N 497.688 2.493 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(Br)c[nH]2)n1CC1(CS(C)(=O)=O)CC1 1748868841 KILXQTASJJVBOE-UHFFFAOYSA-N 464.389 2.323 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CC(=O)NCc2ccco2)CC1 1748983840 AAIUFROERFOJNB-UHFFFAOYSA-N 492.580 2.406 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2CC[C@H]2COCCO2)CC1 1748984143 GRKLTJNMJZKLCY-NRFANRHFSA-N 469.586 2.303 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2CC2(C(=O)NCC)CCC2)CC1 1749019509 XCTMZPWGXXUHIA-UHFFFAOYSA-N 496.587 2.268 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1749175300 CZKFINXDPDIITH-MOPGFXCFSA-N 458.588 2.019 30 10 JEEE C=CCN(c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@]1(C)COCCO1)C1CC1 1749511083 SAOOZFHQVDQQML-JOCHJYFZSA-N 461.588 2.156 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1749725460 VISIULGRSBULMG-UHFFFAOYSA-N 465.576 2.362 30 10 JEEE C#CCN(C)c1nnc(-c2ccc(Br)s2)n1C[C@H]1CCCN1S(C)(=O)=O 1760167708 ZWYYRRKIZIMOPD-GFCCVEGCSA-N 458.407 2.263 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@H]1C(F)(F)C12CCC2)[C@@H]1CCS(=O)(=O)C1 1760184411 XAEJWAFGUHMBGA-IAGOWNOFSA-N 483.585 2.259 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1ccc(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1760184719 KXHCTIQINWAEOK-SFHVURJKSA-N 467.551 2.032 30 10 JEEE C#CCN1CCN(c2nnc(CC(C)(C)C)n2C[C@H]2CCCN2c2cc(NC)ncn2)CC1 1760261535 MZXZRCQAXRMETR-LJQANCHMSA-N 451.623 2.123 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC2(N(C)C)CCCCC2)CC1 1760265579 DZRIISTUKFSUKL-AREMUKBSSA-N 486.661 2.161 30 10 JEEE C#CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1760277495 MJUJEWHZGGMOCW-LJQANCHMSA-N 468.583 2.087 30 10 JEEE C#CCSCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1760282466 FCZODPCWBKIFIE-UHFFFAOYSA-N 470.002 2.475 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccn2C)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1760317829 AZQFHKLEXWXCQU-QTEQDKRBSA-N 469.634 2.302 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1760357239 HCXOVVYUVGSPNK-SJORKVTESA-N 467.617 2.116 30 10 JEEE C=C(Cl)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1760364913 GPMHJYUXGZNYNF-OAHLLOKOSA-N 461.032 2.057 30 10 JEEE C=CC1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1760397472 UWHPRPMARRLLQC-KNQAVFIVSA-N 467.636 2.003 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@@H]1COCCO1 1760480590 YZABYNSPTQJAJL-NHCUHLMSSA-N 471.583 2.050 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccnc(C(F)(F)F)c1 1760495439 NZUJRJHBWLKLKY-INIZCTEOSA-N 486.520 2.252 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC2(CC1)COC(=O)N2 1760519063 QHBDYKRSAJGQOM-UHFFFAOYSA-N 489.374 2.397 30 10 JEEE Cc1cccc(C(=O)NCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@@](C)(C#N)C2)c1 1761891164 DYKUXUZEKDWDJG-XXBNENTESA-N 470.599 2.049 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@H]1CCOC[C@H]1OC 1762288887 DDROVMCJPYZZLK-NFBKMPQASA-N 495.628 2.446 30 10 JEEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCS(C)(=O)=O)C[C@H](C(F)(F)F)O1 1763178010 GLGKCPMKANSUEO-WMLDXEAASA-N 487.504 2.319 30 10 JEEE C[C@H]1OCC[C@]1(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(CC(=O)N(C)C)CC1 1763267793 BKOYQXNSTQUWAN-OSPHWJPCSA-N 452.559 2.051 30 10 JEEE CS(=O)(=O)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C2CCCC2)CC1 1771354713 FGKBAECDWVFZKT-UHFFFAOYSA-N 472.615 2.228 30 10 JEEE C=CCN(CC=C)C(=O)[C@H]1CSCN1C(=O)[C@@H]1CC(=O)N(CCc2ccc(OC)c(OC)c2)C1 1862162606 QTZZWASUXQEREW-WOJBJXKFSA-N 487.622 2.197 30 10 JEEE COc1cc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCCNC=O)cc(Cl)c1O 1862599086 BLYQOOCGLCLFDP-GOSISDBHSA-N 460.870 2.474 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@@H]2c2ccccc2C(=O)O)cc1F 1862639881 JFUCUGRJZDWIMU-LJQANCHMSA-N 456.426 2.247 30 10 JEEE N#C[C@@H](c1cccs1)N1CCC(C(=O)N[C@@H](CO)C(=O)Nc2ccc3c[nH]nc3c2)CC1 1866866781 KQFQXMLOWXTQFP-OALUTQOASA-N 452.540 2.017 30 10 JEEE CC[C@H](NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(=O)N(CCOC)CCOC 1868794270 APLMWRPIWTUBKK-RBUKOAKNSA-N 450.605 2.041 30 10 JEEE Cc1ccc(-n2nnc(C#N)c2NC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc1Cl 1870155453 OCVRBZYGOUNDOJ-UHFFFAOYSA-N 465.813 2.244 30 10 JEEE C=CCn1cc(OCC(=O)OCCOCC)c(=O)cc1CN1CCN(c2ccccc2)CC1 1870671505 ZXXBQYJLTXGDIT-UHFFFAOYSA-N 455.555 2.315 30 10 JEEE COc1cc(/C=N/Nc2cnn([C@H]3CCS(=O)(=O)C3)c(=O)c2Cl)cc(Cl)c1OC 1873529634 VOPIDRDYGXDZOP-QPVSSGOPSA-N 461.327 2.373 30 10 JEEE CC(C)N1C(=O)CS[C@H](C(=O)N2CCC[C@@H](NC(=O)C3CC3)C2)[C@H]1c1ccc(C#N)cc1 1890239887 XLXJNITZTPTYOW-FCEUIQTBSA-N 454.596 2.469 30 10 JEEE Cc1ccc(C(=O)N[C@@H](C)C2(O)CN(C(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 1963042282 NFPHAHVCLOZXCV-INIZCTEOSA-N 460.380 2.394 30 10 JEEE CO[C@H]1[C@@H](C(=O)NC2CC(B3OC(C)(C)C(C)(C)O3)C2)N(C(=O)OC(C)(C)C)C[C@H]1OC 2140536358 UVANAPGPQWRCRG-GADNRMJZSA-N 454.373 2.377 30 10 JEEE CCc1nn(C)c(C(=O)NC[C@H](CC)NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267141954 NKIDORSHCGLRMZ-AWEZNQCLSA-N 450.389 2.315 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)CO1 2267156137 FGBKEHIOGLJMSX-UONOGXRCSA-N 467.397 2.102 30 10 JEEE Cc1nc(C(=O)N2CC[C@H](C)[C@H](NC(=O)C(F)(F)F)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2267480784 FQPGBVHQLXPNIQ-CMPLNLGQSA-N 461.315 2.280 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CCC[C@H](OCc2ccccc2)C1 2267721007 NIPHTJXWLFAYKS-SFHVURJKSA-N 461.393 2.089 30 10 JEEE CC(C)(C)OC(=O)N1CC(C)(OCC(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)C1 2268655432 LSWJAGYHYBLXFE-UHFFFAOYSA-N 467.397 2.085 30 10 JEEE CC(C)(C)OC(=O)N[C@]1(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)CCC[C@H]2C[C@H]21 2268672574 UCLYISISSMGOAJ-OSRJUQGESA-N 464.397 2.281 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2F)[C@H](O)C1 2281756944 BHYGVUGTEKMKDL-QZTJIDSGSA-N 464.343 2.225 30 10 JEEE Cc1ccnc(C(=O)N2CC[C@@H](NC(=O)C(F)(F)F)[C@@H](C)C2)c1B1OC(C)(C)C(C)(C)O1 2282004837 MBIRYWAUSBDVIS-UONOGXRCSA-N 455.286 2.218 30 10 JEEE CCc1nc(C(=O)N[C@H](C)C2(O)CN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2282019316 JVCUYYHMHGFBBP-CYBMUJFWSA-N 481.424 2.105 30 10 JEEE Cn1nc(C(=O)N2C[C@@H]3C[C@@H]3[C@H]2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2282045413 WKAPVSQLHPLXIZ-MELADBBJSA-N 480.802 2.358 30 10 JEEE Cn1cc(C(=O)N2CC[C@@H]3[C@H](CCN3C(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2282051569 IQLSZUTZIYSBSU-NVXWUHKLSA-N 460.384 2.191 30 10 JEEE CCN(CC)CCN(Cc1ccccc1)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282345661 IMAYTPGSOWWAQX-UHFFFAOYSA-N 476.452 2.252 30 10 JEEE CC(C)(C)OC(=O)NCCn1cc(NC(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)cn1 2282514529 DYZQOSCJCUISPK-UHFFFAOYSA-N 457.340 2.354 30 10 JEEE Cc1c(C(=O)N2CC[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282554516 FOWLZMALNGHGDE-HOCLYGCPSA-N 462.400 2.403 30 10 JEEE Cn1ncc(C(=O)N2C[C@H]3CC[C@@](NC(=O)OC(C)(C)C)(C3)C2)c1B1OC(C)(C)C(C)(C)O1 2282572891 RKAWSOXMVZRSBF-NPMXOYFQSA-N 460.384 2.239 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1F 2282587767 PNWPEMPAOVYRKC-JKSUJKDBSA-N 466.363 2.280 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1C[C@@H](C)CN(C(=O)OC(C)(C)C)C1 2282588868 XOBXDDNMRJOVGD-ZBFHGGJFSA-N 462.400 2.403 30 10 JEEE CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(S(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282830576 WQLVHDQFSVNWLJ-QGZVFWFLSA-N 481.424 2.401 30 10 JEEE C[C@@H]1CCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C[C@@H]1NC(=O)C(F)(F)F 2282861324 MNTWNNXNVDVCJN-CJNGLKHVSA-N 476.326 2.063 30 10 JEEE CC(C)(C)OC(=O)NCCCOCCNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1O 2282882307 JSERMZMUYGVYIZ-UHFFFAOYSA-N 464.368 2.353 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)C2 2283063041 VEORZVGAQFNYHC-XHSDSOJGSA-N 458.368 2.294 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N[C@H](C(=O)O)[C@@H](C)OCc1ccccc1 2285197529 MMPXFLZCDKTLNG-UZLBHIALSA-N 454.332 2.478 30 10 JEEE CC(C)(C)OC(=O)N(CC(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1)C[C@@H]1CCCO1 2288087645 GWNYQOQFGXBCOH-HNNXBMFYSA-N 481.424 2.475 30 10 JEEE COC[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)N(C(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C1 2289503085 AVCBHBDSGMVXGZ-GJZGRUSLSA-N 481.424 2.444 30 10 JEEE Cn1cncc1C(=O)N1CCC([C@H]2CN(c3ccc(C#N)c(C(F)(F)F)c3)C[C@@H]2C(N)=O)CC1 2297649882 DVZPZFROVDUEDY-MSOLQXFVSA-N 474.487 2.401 30 10 JEEE COc1ccc2c(c1)c(C=Nn1c(SCC(=O)NC3CCCC3)nnc(C)c1=O)c(C(=O)O)n2C 2321655232 RACZQTIVCYWHJZ-UHFFFAOYSA-N 498.565 2.178 30 10 JEEE CC(C)(C)N1C[C@H](c2nnc(SCCO)n2N=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1=O 2327906623 ZOZFJGDQOFZFHJ-CQSZACIVSA-N 490.542 2.039 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CCO)C(=O)Nc1cc(F)c(B2OC(C)(C)C(C)(C)O2)c(F)c1 2341177404 MVOLVHGBWJEUFF-OAHLLOKOSA-N 456.295 2.478 30 10 JEEE CN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn1C)[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1F 2343638307 BAKTWBJRDDARND-WBVHZDCISA-N 451.348 2.354 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2C[C@H](C1)N(C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)C2 2359281190 WNTDSHAYLKFWNV-OWCLPIDISA-N 458.368 2.294 30 10 JEEE CC[C@@H](NCC(CO)(CO)NC(=O)OC(C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2363838180 HKNXTKKETABANN-LJQANCHMSA-N 464.412 2.275 30 10 JEEE COc1cc(CNC(=O)CSc2n[nH]c(N/N=C/c3cccc(OC)c3O)n2)cc(OC)c1 59016807 OZYVVKUWPULXMU-FOKLQQMPSA-N 472.527 2.391 30 10 JEEE C=CCOc1ccccc1[C@H]1c2c(nc(N3CCC(C(=O)OCC)CC3)[nH]c2=O)NC(=O)[C@H]1C#N 72444781 RAUHWOTVVIKBNG-PKOBYXMFSA-N 477.521 2.338 30 10 JEEE COc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2oc(C)c(C(C)=O)c2C#N)cc1OC 170500721 LWEIHUCHMYEJMJ-MRXNPFEDSA-N 461.496 2.471 30 10 JEEE N#Cc1ccc(CNC(=O)C(=O)N2C[C@@H](C(=O)N3CCCCC3)Oc3ccccc32)c(F)c1 609256257 ZLPSYANLCGRFMF-NRFANRHFSA-N 450.470 2.120 30 10 JEEE C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)OCC(=O)c1ccc2c(c1)NC(=O)[C@H](C)O2 728095633 ORYUNSURLRHFJR-HAWMADMCSA-N 489.484 2.297 30 10 JEEE CCCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccc(OC)c(Cl)c1 729672176 APRRCPIISZCRGY-UHFFFAOYSA-N 493.976 2.238 30 10 JEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC[C@@](O)(C(F)(F)F)CC3)CC2)cc1 1140498368 CECDUZHSEBTQDX-IBGZPJMESA-N 459.490 2.265 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1C[C@H](C)CNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1286384322 HRHZSKVFILWOKX-SJORKVTESA-N 467.636 2.363 30 10 JEEE C#CCSCCn1c(COc2cccc(C)c2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1286511255 HUZIPTFCHYFUCL-UHFFFAOYSA-N 482.654 2.276 30 10 JEEE C=C(Br)Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1286543992 XGPZBVZEVIOYFO-WMZOPIPTSA-N 494.438 2.416 30 10 JEEE C=C(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1286584993 SKGMWPMVXUQFDV-KRWDZBQOSA-N 481.022 2.203 30 10 JEEE C=C(C)COCCn1c(COc2ccccc2F)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1286613264 VZFKPADSSVXWTO-XMMPIXPASA-N 486.548 2.403 30 10 JEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCN2CCN(c3ccccc3)CC2)CC1 1286637808 NDRJTRKRWCSSCN-OAQYLSRUSA-N 487.674 2.257 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCO[C@H](c2cccc(Br)c2)C1 1286787899 LLCKGHVQIUAZPO-WMZOPIPTSA-N 476.375 2.425 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCOC3(CCOCC3)C2)cc1 1286793546 HCSMICGALNMSQU-UHFFFAOYSA-N 455.559 2.415 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1286816652 KNHZBQMFKQXUKK-HUUCEWRRSA-N 475.036 2.457 30 10 JEEE C[C@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1Cc1cc2c(cc1OC(F)F)OCO2 1286968992 CSRCYVOHGBDULT-CYBMUJFWSA-N 462.457 2.375 30 10 JEEE CC(C)OCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1288401214 FOHOFNCCRMSDQM-PMACEKPBSA-N 459.572 2.055 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2Cc2cccnc2OCC)c1 1300331795 QGCGAESUZGTRGT-UHFFFAOYSA-N 475.553 2.315 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCSc1nccs1)[C@H]1CCS(=O)(=O)C1 1300506321 QMLNDXPXFZRYNE-JKSUJKDBSA-N 467.642 2.395 30 10 JEEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1C[C@@H](CC)NC(=O)OC(C)(C)C 1300528101 PGDWMDDJFYJLIY-MRXNPFEDSA-N 454.531 2.382 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccc(C)cc2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1300548943 UOLUTQXXMIWQRA-GMAHTHKFSA-N 481.622 2.443 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C 1300553745 QYPRCDLTSVTWPS-UFYCRDLUSA-N 457.575 2.474 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@]1(O)CCO[C@@H]1C 1300574882 OBGVWDRTGQAFRH-BCHFMIIMSA-N 474.565 2.239 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCN2CCOC[C@H]2C)CC1 1300688528 HMHSJLYJCCGZEA-GOSISDBHSA-N 460.529 2.022 30 10 JEEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1CCC(NS(C)(=O)=O)CC1 1300853236 MCDZAEZIFVXFHM-UHFFFAOYSA-N 475.438 2.060 30 10 JEEE C=C(Br)Cn1c(COCC)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1300861343 GXJSFUOPRAHJCW-KRWDZBQOSA-N 469.428 2.246 30 10 JEEE C=C(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1300963880 LZQQLLVEYIDEQA-AUSIDOKSSA-N 463.586 2.294 30 10 JEEE C=C(Cl)Cn1c(Cc2ccccc2OC)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1301044302 FRBMHNVYKWNRAZ-UHFFFAOYSA-N 492.989 2.270 30 10 JEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(O)(Cc2ccc(F)cc2)CC1 1301258685 YDPDVAPDHVCZMO-HXUWFJFHSA-N 492.617 2.486 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccnc1OC 1301348546 CRRIYUZDMGLUNL-OAQYLSRUSA-N 498.609 2.256 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)C1CC1 1301363259 QGURNBUYERXLOW-RXVVDRJESA-N 481.644 2.026 30 10 JEEE Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1nc(-c2cccc(C#N)c2)cs1 1357293943 BPNIAVJCZJCKBT-UHFFFAOYSA-N 457.537 2.293 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1C[C@H]1CCCS(=O)(=O)C1 1358875933 YZWKPUFLKUFEMJ-ZIAGYGMSSA-N 454.394 2.329 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCN1CCCCC1=O 1358891436 GPKYLYMJUSNOTL-MOPGFXCFSA-N 474.606 2.447 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@](C)(O)c1ccco1 1358968598 RMRCHMSUDXHSBE-QHCPKHFHSA-N 451.914 2.435 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CC1(N2CCOCC2)CCCCC1 1358968629 SWZJDZUYZMUEGX-UHFFFAOYSA-N 461.570 2.033 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC(=O)NC(C)C)CC1 1359038960 RHRVBODVALKRGI-UHFFFAOYSA-N 452.603 2.434 30 10 JEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(c2nc(C)c(C)s2)CC1 1359060439 VQWBRUZVSGYADN-UHFFFAOYSA-N 459.645 2.167 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1359089260 FVAAASZGQIYZII-PMACEKPBSA-N 468.606 2.131 30 10 JEEE C=CCCOCCn1c(-c2ccc(OC)cc2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1359224427 QOYPQCWRKUOCGM-DEOSSOPVSA-N 468.558 2.361 30 10 JEEE C=CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(CC(N)=O)CC1 1359340989 ILPXTKZFHXBXAK-UHFFFAOYSA-N 477.660 2.249 30 10 JEEE C[C@H](NC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1)c1ccccc1 1360644978 FCKXJXNSRVVHHL-PNLZDCPESA-N 477.610 2.460 30 10 JEEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCN(Cc3nc(COC)no3)CC2)cc1 1476041338 CNBIJAQCBCMMNQ-UHFFFAOYSA-N 454.531 2.380 30 10 JEEE CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCc1ccc(O)cc1 1503102324 FWJKNJOCIDLMTH-UHFFFAOYSA-N 450.547 2.003 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@H](CCC)OC)[C@H]1CCS(=O)(=O)C1 1507627510 KAHBIQNZOTZWBG-IRXDYDNUSA-N 451.980 2.435 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CCS(C)(=O)=O)CC1 1507741617 XZXPHONCPLDSCX-UHFFFAOYSA-N 496.058 2.234 30 10 JEEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1507748614 PTHLIFOWVUZOEX-UHFFFAOYSA-N 471.594 2.423 30 10 JEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC(S(=O)(=O)c2ccccc2)CC1 1507752819 GRTFFQZUJFHASC-UHFFFAOYSA-N 487.651 2.210 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1507791882 SYDRFFMRRMEHIB-YLJYHZDGSA-N 496.678 2.038 30 10 JEEE C=C(C)COCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCOC(C)(C)C1 1507838545 DHHZYTODCNGNMI-UHFFFAOYSA-N 463.604 2.403 30 10 JEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(C)(C)N2C[C@H](C)O[C@H](C)C2)CC1 1507896520 KITKVHDWGXEUTP-FGTMMUONSA-N 468.668 2.179 30 10 JEEE C=CC1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCCS(C)(=O)=O)CC1 1507905490 XUMIHUUZGZOKRQ-UHFFFAOYSA-N 459.620 2.289 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCSC(CC)(CC)C1 1508074004 NEVABDVLXMLDFW-UHFFFAOYSA-N 467.603 2.335 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1CCC(C(=O)OC)CC1 1508094417 NGZHDYRTBCQZBQ-UHFFFAOYSA-N 459.572 2.271 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(Cl)s1 1508144825 HWEQSXGWTDHYFK-CYBMUJFWSA-N 479.049 2.132 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(C2CCCCC2)C(=O)C1 1508146131 UPCNDZYVJGJIFR-UHFFFAOYSA-N 451.637 2.449 30 10 JEEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1508147279 HVZVDENLZFOILE-UHFFFAOYSA-N 461.636 2.161 30 10 JEEE CC(C)(C)OC(=O)N1CC(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(C(N)=O)CC2)C1 1508631340 HRQNPXIAYYITNU-UHFFFAOYSA-N 465.558 2.385 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H](OC)c1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 1539200818 PDLZJRKWYVPDFN-MOPGFXCFSA-N 494.017 2.084 30 10 JEEE C#CCN(c1nnc(CC)n1Cc1cc(Cl)c(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1539219508 KSEUCGLNMJMCHL-OAHLLOKOSA-N 452.964 2.186 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1CCCOC[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1539219992 PAUGLARIWADQCQ-RTBURBONSA-N 452.621 2.079 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(C)CN(C2CC2)C1=O 1539326240 SQIIUEDCRJURRN-RXFWQSSRSA-N 496.612 2.060 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2cc(OC)ccc2OC(F)F)CC1 1539482963 ZACDSAHGWACKLY-KRWDZBQOSA-N 489.523 2.406 30 10 JEEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2cccc(F)c2[C@H]1C 1539517972 USQMPGFIBRQKOK-APWZRJJASA-N 493.630 2.240 30 10 JEEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1539519073 APSMDUATHFQFIS-UHFFFAOYSA-N 496.662 2.282 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1CCNS(C)(=O)=O 1539539760 YENMDBCTHHQUGN-VGOFRKELSA-N 461.588 2.358 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1539645469 OJXLJUNRTFIKGU-MISYRCLQSA-N 467.636 2.361 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(NC(C)=O)CC1 1540863042 OAYFFPOWPZHISX-OAHLLOKOSA-N 460.966 2.479 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)ccc2Br)nnc1N(C)Cc1cnn(C)c1 1540864837 MKQVBEXBASYKIW-UHFFFAOYSA-N 474.363 2.388 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(Cc2ccc(OCC)cc2)CC1 1540870707 UUTLGTFPJRQEQV-NRFANRHFSA-N 468.602 2.195 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1540899070 CDPXDXABKPJBSS-HSZRJFAPSA-N 471.583 2.192 30 10 JEEE C=CCSCCn1c(COCC)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1540922413 NPUQSYJPIFGWDJ-UYAOXDASSA-N 450.653 2.113 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1Cc1nccs1 1541928617 DOOOYDORDDKEOC-HNNXBMFYSA-N 487.611 2.313 30 10 JEEE CC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCN2CCCO)CCO1 1546769147 ADJNIMKIFFFPNV-LEWJYISDSA-N 454.575 2.191 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H](C(=O)Nc2cc[nH]n2)c2ccccc2)ccc1F 1585202762 RLFMGDKTSJAYNQ-IBGZPJMESA-N 457.487 2.123 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1CCCSC)[C@@H]1CCS(=O)(=O)C1 1588039918 GCZBVUTWXFEOFY-MRXNPFEDSA-N 464.613 2.342 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1cnnn1C)[C@@H]1CCS(=O)(=O)C1 1588040008 HKKKUWZRTHWSLS-CQSZACIVSA-N 480.381 2.055 30 10 JEEE C#CCN(c1nnc(CN2CCCC2=O)n1CC[C@H](C)c1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1588069838 TXGNVBJWNGBODJ-FPOVZHCZSA-N 499.637 2.230 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2csc([C@@H](C)OC)n2)CC1 1588930491 XKSAZDFVOWHMLI-SJLPKXTDSA-N 472.615 2.350 30 10 JEEE C#CCSCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCCN(C(C)=O)CC1 1589096610 FXMINLTVOLOULM-UHFFFAOYSA-N 495.697 2.068 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccc2C)nnc1N1CCN(CC(=O)NCCOC)CC1 1589515786 RZQHDFGCXUYRTH-XUZZJYLKSA-N 482.629 2.119 30 10 JEEE C=CCN(CCc1ccco1)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCC(=O)N(C)C 1595250378 CTPCALYPFZRZHL-UHFFFAOYSA-N 475.553 2.498 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1595506897 PLRUJKHXUBBHEC-CJNGLKHVSA-N 464.364 2.226 30 10 JEEE C=CC[C@]1(C(=O)NC[C@@H](O)CS(=O)(=O)c2cccs2)CCCN1C(=O)OC(C)(C)C 1597165231 BQIYJHUYRVFKCO-FOIQADDNSA-N 458.602 2.345 30 10 JEEE C=CC[C@@H](NC(=O)c1cc(I)ccc1N1CCOCC1)C(=O)OCC 1611408199 ILLCFQYLFBMAHA-OAHLLOKOSA-N 458.296 2.365 30 10 JEEE N#Cc1cccc(NC(=O)N[C@@H]2[C@H]3CO[C@@H](O3)[C@@H](N3CCC(Cc4ccccc4)CC3)[C@@H]2O)c1 1616151459 BXTVZBSJMZAZID-RXFVIIJJSA-N 462.550 2.488 30 10 JEEE C#CCCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1689933412 MQLRCSYJDKULNQ-UHFFFAOYSA-N 465.508 2.381 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1Cc1ccc(N2CCOCC2)cc1)[C@H]1CCS(=O)(=O)C1 1689980031 KMMFTRYRPVOTSS-KNQAVFIVSA-N 471.627 2.303 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1cccc(CN(C)CC)c1)[C@@H]1CCS(=O)(=O)C1 1689993256 ZIJRJSRPHQZYSL-XMMPIXPASA-N 492.649 2.391 30 10 JEEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(C(=O)N(C)C)CCCC1 1690034378 FWVPMROHFXLOGB-VWLOTQADSA-N 455.603 2.430 30 10 JEEE C#CCN(CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCN1CCOCC1(C)C 1690082705 LISGFASIYDXMFQ-UHFFFAOYSA-N 479.673 2.213 30 10 JEEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCNC(=O)c2ccco2)CC1 1690132437 QIQNXHWFUNOMJC-UHFFFAOYSA-N 462.554 2.252 30 10 JEEE C=CCNC(=O)Cn1c(Cn2ccc3ccccc32)nnc1N1CCN(C(=O)N(CC)CC)CC1 1690674709 CCJPROZBZNWUHO-UHFFFAOYSA-N 478.601 2.167 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1690718824 ANGCNEGNHYHQNC-HZPDHXFCSA-N 452.920 2.313 30 10 JEEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1705520126 JAMVOXIWCDYDPU-QFIPXVFZSA-N 480.661 2.466 30 10 JEEE C#CCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1705524770 RYVSLCZRXRHNGL-MRXNPFEDSA-N 454.506 2.491 30 10 JEEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)CCN1CCOC(C)(C)C1 1705533419 XKXYGFSVZDHZFH-UHFFFAOYSA-N 466.634 2.413 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1CCOC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1705560450 HABBZCONSOKSTM-BJLQDIEVSA-N 488.610 2.262 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccc(C)cc1SC)[C@H]1CCS(=O)(=O)C1 1705565760 JZVFKLHRTZNVQD-MOPGFXCFSA-N 460.625 2.487 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CC(C)(C)c1ccccn1)[C@@H]1CCS(=O)(=O)C1 1705570790 QWOFVFGNTLDSSY-HXUWFJFHSA-N 464.595 2.263 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCNC(=O)[C@@H](C)CCC)CC1 1705640291 MHDSOZWFHPQKRF-SIKLNZKXSA-N 466.586 2.098 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCCCn2ccnc2C)CC1 1705642573 YQCHTSNEVBHKCF-UHFFFAOYSA-N 466.615 2.010 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@H](C)c2nc(C)cs2)CC1 1705647090 AAVPXMOBDZJKBX-HNNXBMFYSA-N 450.572 2.270 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC(=C)Cl)CC1 1705648117 OALHAMBFFJKCDD-GOSISDBHSA-N 493.008 2.305 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2CC(O)(CC)CC)CC1 1705650513 SWRAAADDARKGTI-UHFFFAOYSA-N 453.587 2.394 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@@H](C)N(CC)C(=O)OC(C)(C)C)CC1 1705652736 LLYUZEUJIGKQJS-GOSISDBHSA-N 476.622 2.426 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCN1CCSCC1 1705670065 HOQKZFFVROHTEZ-HSZRJFAPSA-N 488.683 2.236 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(S(C)(=O)=O)CC1 1705674255 CXBBUYFGEQTNAV-VGOFRKELSA-N 493.630 2.156 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1705717666 PDWWTXDBGLPPCA-AZUAARDMSA-N 474.631 2.251 30 10 JEEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1705720904 HSYDNMCDXSRXKG-GOSISDBHSA-N 457.604 2.048 30 10 JEEE C=C(C)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1705727897 HMHXAEUOMWLGFZ-FYYLOGMGSA-N 454.619 2.459 30 10 JEEE C=C(C)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1705727900 HMHXAEUOMWLGFZ-JTHBVZDNSA-N 454.619 2.459 30 10 JEEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1705829788 CATIBHGJFGFASO-YMPZKCBVSA-N 474.650 2.144 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1705896273 HPEFNOGKVLZPPT-GFCCVEGCSA-N 488.433 2.085 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2csc([C@H](C)OC)n2)C1 1705925290 NIQAARXOZFERNL-ZMSDIMECSA-N 467.617 2.174 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CCCN(C(=O)C(C)C)CC1 1705938119 NHXZHUNANRTTAQ-UHFFFAOYSA-N 493.605 2.292 30 10 JEEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)Cc2cccc(OC)c2)CC1 1705944092 UWIYJIJPAZYZKM-HXUWFJFHSA-N 484.626 2.048 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1C[C@]1(O)CCSC1)[C@@H]1CCS(=O)(=O)C1 1722359398 MEMWKNYXTVSHLI-DENIHFKCSA-N 460.625 2.002 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@H]1N(C)CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1722365685 DXHQJCWHJUMINM-FPOVZHCZSA-N 470.643 2.396 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCC1(COC)CCC1)[C@@H]1CCS(=O)(=O)C1 1722366642 ISHMMGJMLFVTNJ-MOPGFXCFSA-N 450.605 2.353 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1CCCCCCO)[C@H]1CCS(=O)(=O)C1 1722367566 WMBNVLBWUFBIAF-KRWDZBQOSA-N 498.447 2.226 30 10 JEEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1Cc1conc1COC)[C@H]1CCS(=O)(=O)C1 1722372322 UIUQVSQWWGUPJF-FQEVSTJZSA-N 499.593 2.283 30 10 JEEE C#CCN(CC#CC)c1nnc(Cc2ccc(F)cc2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1722397913 XFRUTEGHGNHFPR-QHCPKHFHSA-N 464.589 2.414 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCN(CCC)C(=O)OC(C)(C)C)CC1 1722433335 RDHQLRYNADWMFP-VWLOTQADSA-N 490.649 2.333 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](C)c2ncc(C)s2)CC1 1722445733 BGBBNXGKCMZBPW-OAHLLOKOSA-N 452.588 2.213 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2cc(C)ccc2C)nnc1N1CCO[C@@H](C(=O)NC)C1 1722504031 MTUAVEWWXVLIPE-LSWJPFSZSA-N 469.586 2.406 30 10 JEEE C=C(C)COCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCO[C@@H](C#N)C1 1722532856 YIFOVJJDJIHSPV-SFHVURJKSA-N 463.542 2.386 30 10 JEEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1722557770 ZZHBAVPSRNVTFX-NSHDSACASA-N 450.874 2.168 30 10 JEEE C=CCC(C)(C)Cn1c(-c2ccccc2OC)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1722587620 VNEFCZSCRMGBLA-UHFFFAOYSA-N 494.600 2.023 30 10 JEEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1722602643 ALSSEZHQRLDVLB-QGZVFWFLSA-N 471.583 2.269 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1722689282 QZHFOCZVEXXOQY-ZVDOUQERSA-N 486.592 2.406 30 10 JEEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1722739745 HJUVBZIGWQDXGU-SFHVURJKSA-N 455.563 2.486 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1CC1([S@](C)=O)CC1 1723611862 FGFADOWPCUYDOF-XIFFEERXSA-N 490.033 2.179 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCC(=O)N1CCOCC1 1740552254 NRYXQLHAILZUBP-GOSISDBHSA-N 474.606 2.099 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@]1(C)CCCS1)[C@H]1CCS(=O)(=O)C1 1740615636 IEGOEYNORVUFJY-UWJYYQICSA-N 467.661 2.109 30 10 JEEE C#CCN(CC#C)c1nnc(-c2c[nH]c3ccccc23)n1CCCN1CCC[C@H]1C(=O)N(C)C 1740637689 AXUIBXLTLMJVSB-QHCPKHFHSA-N 457.582 2.442 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CC1(C(N)=O)CCOCC1 1740650758 MMFABMUXQWWAQV-UHFFFAOYSA-N 479.581 2.486 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(Cl)cc3)n2Cc2cnn(C)c2)CC1 1740707413 BCPLEGIOBZBODA-UHFFFAOYSA-N 467.961 2.258 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](c2ccnn2C)C1 1740955001 UZBKOWSZHPKHES-QGZVFWFLSA-N 450.503 2.273 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C2CC2)C1 1740959584 AILNPPASLKLVPG-GBESFXJTSA-N 474.606 2.214 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1740964817 VEWPTBDYHLYHTN-CQSZACIVSA-N 488.397 2.089 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCS(C)(=O)=O)C1 1741232294 AXNUOYKYNPGAPE-SFHVURJKSA-N 474.587 2.355 30 10 JEEE C[C@@H]1CCC[C@]1(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1743031711 BXYFPQVORSDNTN-BOCKYXSRSA-N 472.615 2.133 30 10 JEEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nccc(C(F)F)n2)C1 1746536357 DATQWFVAJPJRNB-INIZCTEOSA-N 488.524 2.111 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1([S@](C)=O)CCC1 1748665363 PWHFLOCAOJQYCM-FTDQSSOUSA-N 452.584 2.434 30 10 JEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCOCC1CCOCC1 1748774237 YSFFSVKHTUDRQC-UHFFFAOYSA-N 474.631 2.449 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@H]1C[C@H](C)O[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1748815653 SONBPEMCTWJNKT-IVDHNXQLSA-N 450.605 2.350 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1ccc(OC)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1748816064 WLNOYCIZVXIQTD-YLJYHZDGSA-N 462.547 2.342 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN1CCC[C@@H](C)C1 1748887193 XDOUZNBODREJMU-HXUWFJFHSA-N 467.643 2.433 30 10 JEEE C#CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1CCOCC1 1748950367 MVRDUNLILCJXID-UHFFFAOYSA-N 460.604 2.059 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2cc(F)ccc2F)CC1 1749004032 CSQOMPCNFRRLPI-MRXNPFEDSA-N 461.513 2.294 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2Cc2cc(C)nn2C)CC1 1749018591 AGJDOHYTNPJILK-UHFFFAOYSA-N 465.533 2.052 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H]1CN(CC)c2ccccc2O1 1749037861 HDPYFYDOTLBDKV-OALUTQOASA-N 489.667 2.270 30 10 JEEE C#CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC(C)(OC)C1 1749038243 OXBJLGGICVEYBP-MRXNPFEDSA-N 451.593 2.178 30 10 JEEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1749044385 QHZIVIGHVSMVIV-RBUKOAKNSA-N 488.683 2.183 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1749129471 DQBBTGWKMZTXFI-YJRNTSOCSA-N 458.651 2.447 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@@]2(OCC)CCOC2)n1CC1(O)CCS(=O)(=O)CC1 1749549488 YUUJYUIDMLKAMC-JOCHJYFZSA-N 496.655 2.124 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(C)nc3ccccc23)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1749652795 SXLHTPSNDHHATC-IAGOWNOFSA-N 470.599 2.362 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1749655354 IYUYIIREUFBIIX-LJQANCHMSA-N 471.993 2.483 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC2(O)CCS(=O)(=O)CC2)C1 1749698977 YGXYYIVQUZYCPH-QZTJIDSGSA-N 494.589 2.278 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2CCc2cn[nH]c2)c1 1760126382 XAPUFPUOXWMXCV-RUZDIDTESA-N 477.569 2.341 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCCO3)n2C[C@]2(OC)CCOC2)c1 1760128485 JNFSFNROMLXUIJ-GBXCKJPGSA-N 453.543 2.381 30 10 JEEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCc1nccc(C(F)(F)F)n1 1760173302 QJIVSQGXPCMIGR-UHFFFAOYSA-N 464.473 2.470 30 10 JEEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1760187573 KGTMNIYXHLHXGM-VVLHAWIVSA-N 487.548 2.225 30 10 JEEE C#CCN(c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@H](F)COC)[C@@H]1CCS(=O)(=O)C1 1760188455 LCOAEJDJGXOYDA-QZTJIDSGSA-N 473.530 2.211 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCC[C@H]1OC)[C@H]1CCS(=O)(=O)C1 1760191696 LUSBJOHSNFPDSX-JAXLGGSGSA-N 483.594 2.171 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](c1cccc(C)c1)N1CCOCC1 1760217806 NFQSBPVTLIZHRK-GOTSBHOMSA-N 460.582 2.074 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCC(=O)NC(C)(C)C)CC1 1760263606 IKCULISLCFHJMS-KDURUIRLSA-N 487.649 2.109 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCOC2CCOCC2)CC1 1760267507 OPFKWINVQYJKAB-UHFFFAOYSA-N 476.581 2.368 30 10 JEEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1ccc(C)c(F)c1)C1CC1 1760477211 STZAJYPRKGUMCI-KRWDZBQOSA-N 461.563 2.213 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCC[C@@H](C(=O)NC)C1 1760518357 ROBBQLLICIHAJZ-GOSISDBHSA-N 470.574 2.006 30 10 JEEE C=CCNC(=O)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1C[C@H](C)S[C@H](C)C1 1760527499 YSSKSWNHVVYONM-OYRHEFFESA-N 483.686 2.275 30 10 JEEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCN(c2ncc(Cl)cc2Cl)CC1 1760527889 LMOFRTWGHAOMKB-UHFFFAOYSA-N 454.362 2.145 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1760557244 FMTAEVOLSIQKHS-UHFFFAOYSA-N 489.602 2.241 30 10 JEEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](F)[C@@H](c2ccccc2)C1 1760566488 VJNWXTVEJMLRQI-VAMGGRTRSA-N 495.646 2.472 30 10 JEEE CCC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCOC[C@H]2C)CCN1CCOC 1763950882 HLRRZSIQDNEKIT-ZJSXRUAMSA-N 481.645 2.475 30 10 JEEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCO[C@H](C)C2)C1 1765671252 CIMFRZUYQXZVSQ-IMFGXOCKSA-N 458.588 2.150 30 10 JEEE COc1ccc(Cn2c(Cc3ccncc3)nnc2N2CCO[C@@H](C#N)C2)c(OC)c1OC 1768679364 ANCSWKNWZDRZEP-SFHVURJKSA-N 450.499 2.067 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2cccn2C)n1C[C@@H]1CCS(=O)(=O)C1 1769818518 AFEFSLXSXVPJSP-FQEVSTJZSA-N 468.583 2.243 30 10 JEEE C=CCNC(=O)[C@H](CCSC)NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccccn1)C2=O 1861513885 VLADCGUXHGXJDT-IBGZPJMESA-N 452.536 2.032 30 10 JEEE C=CCN(CC=C)C(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1ccc(Cl)c(Cl)c1 1865729192 MWQSJRSPVWKMFV-HNNXBMFYSA-N 477.348 2.286 30 10 JEEE CCOC(=O)N1CCN(Cc2cc(=O)c(OCc3ccc(C#N)cc3)cn2CCOC)CC1 1870348915 RFSSULVFONXJEW-UHFFFAOYSA-N 454.527 2.219 30 10 JEEE C=CCn1cc(OCC(=O)Nc2ccc(C(=O)OCCC)cc2)c(=O)cc1CN1CCOCC1 1870389423 PCZVXCXTBKEVHW-UHFFFAOYSA-N 469.538 2.451 30 10 JEEE C=CCn1cc(OCC(=O)NCCOC)c(=O)cc1CN1CCN(C/C=C/c2ccccc2)CC1 1870522161 XTRVRUOSDYLRPS-JXMROGBWSA-N 480.609 2.007 30 10 JEEE C=CCn1cc(OCC(=O)NCc2ccco2)c(=O)cc1CNc1ccc2c(c1)C(=O)N(C)C2=O 1870981562 MQKCKRGARIHHMR-UHFFFAOYSA-N 476.489 2.160 30 10 JEEE COc1ccccc1CCc1nnc(SCC(N)=O)n1/N=C/c1ccc2c(c1)OCCO2 1874313348 PUXXJSARZAUWHA-ZMOGYAJESA-N 453.524 2.303 30 10 JEEE COCCc1nnc(SCC(=O)Nc2nccs2)n1/N=C/c1ccc(O)c([N+](=O)[O-])c1 1874470487 IGJKBTKFRYNTPW-DJKKODMXSA-N 463.501 2.150 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](O)C[C@@H]1C(=O)NCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2180960980 NYQYKPHJEJCNDW-RTBURBONSA-N 460.380 2.362 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1[C@H]2C[C@@H](CN(c3ccc(B4OC(C)(C)C(C)(C)O4)cn3)C2)[C@H]1CO 2241093280 PKOVULQSIWDCSG-YTXYEVPYSA-N 459.396 2.339 30 10 JEEE CC(C)(C)OC(=O)NCCCNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2255743907 IWCFLBVPHOLAPQ-UHFFFAOYSA-N 458.361 2.318 30 10 JEEE CC(C)(C)OC(=O)N[C@@]12C[C@@H]1CN(S(=O)(=O)c1cccc(B3OC(C)(C)C(C)(C)O3)c1)C2 2267378232 NPKMIHBBJKJBDB-IVZQSRNASA-N 464.393 2.274 30 10 JEEE CC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(O)cc1O 2267805606 LMSDKVAHCZBCCI-ZDUSSCGKSA-N 450.341 2.430 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2268641862 CZCOGRGSJGNHGZ-ZDUSSCGKSA-N 465.385 2.175 30 10 JEEE COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1NC(=O)[C@H](O)[C@H](C)NC(=O)OC(C)(C)C 2268654169 VXKLQXOTOOSVEH-SUMWQHHRSA-N 450.341 2.207 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(CNC(=O)[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)s1 2268710369 GZWCKHRHFIFXJT-JOCHJYFZSA-N 466.409 2.344 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@]2(CC(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2268798482 LCWCMVKKQAYOLF-ZSEKCTLFSA-N 464.397 2.235 30 10 JEEE Cc1nn(C)c(C(=O)N[C@@H]2C[C@H]3[C@H]2CCN3C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2281988521 NUSQGLSWAMSQSB-XHSDSOJGSA-N 460.384 2.155 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CC12CCC2 2282024676 DSJDRQOZYDGYAN-INIZCTEOSA-N 458.368 2.438 30 10 JEEE Cn1cc(C(=O)N[C@@H]2CC[C@H]3C[C@H]2CN3C(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2282048477 MFHDDSNINQNSDY-HRCADAONSA-N 460.384 2.237 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1COC(C)(C)CN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2282198223 YLZDUGAWGGHZKF-MRXNPFEDSA-N 463.384 2.458 30 10 JEEE CC(C)(C)OC(=O)NC1(CNS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CCCC1 2282349773 CXKQNRVISGUHIW-UHFFFAOYSA-N 481.424 2.497 30 10 JEEE CC1(C)OB(c2sccc2CS(=O)(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)OC1(C)C 2282499773 SCTXVJFKJMYUSP-FQEVSTJZSA-N 492.472 2.368 30 10 JEEE Cn1cc(C(=O)N[C@@H]2C[C@H]3C[C@H]2C[C@H]3NC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2282545144 HEEDOEIUMLLYBE-ZJIFWQFVSA-N 460.384 2.141 30 10 JEEE C[C@H]1CN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C[C@H](C)C1NC(=O)OC(C)(C)C 2282625750 ZHMYSPYFCYWJLX-GJZGRUSLSA-N 460.384 2.397 30 10 JEEE CCO[C@@H]1C[C@H](NC(=O)OC(C)(C)C)[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn1C 2282681476 XAWVLTMZAFLSLV-JQHSSLGASA-N 463.384 2.125 30 10 JEEE Cc1c(B2OC(C)(C)C(C)(C)O2)cccc1C(=O)N[C@@]1(CO)CCN(C(=O)OC(C)(C)C)C1 2282688047 OLLCDIZLXFGOPV-DEOSSOPVSA-N 460.380 2.396 30 10 JEEE Cc1ccc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2O)cc1B1OC(C)(C)C(C)(C)O1 2282690575 XXRUFKPWCXTTLB-OALUTQOASA-N 460.380 2.394 30 10 JEEE CC1(C)OB(c2ccc(O)c(C(=O)NC[C@@]3(O)CCN(Cc4ccccc4)C3)c2)OC1(C)C 2282974937 LIZFPYNVIXGFEG-VWLOTQADSA-N 452.360 2.058 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@@]1(CO)C(=O)NCc1ccccc1B1OC(C)(C)C(C)(C)O1 2283963295 ILKWZQPBINKLPZ-XMMPIXPASA-N 460.380 2.364 30 10 JEEE CC(C)(C)OC(=O)NCCn1cnc(C(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)c1 2283986594 FWKPHTKCNAVLFB-UHFFFAOYSA-N 457.340 2.354 30 10 JEEE CC(C)(C)OC(=O)N[C@]1(C(=O)N2CCc3c(B4OC(C)(C)C(C)(C)O4)cccc32)C[C@H](O)C1 2284051121 JJHFEDRGHRVYKB-RWXRFDSASA-N 458.364 2.293 30 10 JEEE CC(C)(C)OC(=O)NC[C@H](CO)C(=O)N1CCc2c(cccc2B2OC(C)(C)C(C)(C)O2)C1 2284060797 ROIHSIRCGLYANQ-QGZVFWFLSA-N 460.380 2.004 30 10 JEEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)[C@@H](CN)[C@H](CNC(=O)OC(C)(C)C)OC 2327301014 BZWGQOSWHNOQKW-OALUTQOASA-N 454.612 2.188 30 10 JEEE C#CCC[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 2333917968 QVHFDHUWDUOOKQ-XCDZQEORSA-N 465.591 2.273 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CCS(C)(=O)=O)C(=O)N1CC[C@](C)(B2OC(C)(C)C(C)(C)O2)C1 2342484408 BVPITUKLNILJEY-VFNWGFHPSA-N 474.429 2.399 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCCO[C@H]2[C@H]1NC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2362572068 WHUGTGIFJNVQCY-DRPJVOAASA-N 479.408 2.243 30 10 JEEE CO[C@@H](CNC(=O)OC(C)(C)C)CNC(=O)c1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1O 2365484967 VPYQAZPTVXELKX-CYBMUJFWSA-N 468.331 2.100 30 10 JEEE COc1ccc(O)c(/C=N/Nc2nc(SCC(=O)NCc3ccc(OC)c(OC)c3)n[nH]2)c1 58997765 XSQQTPBMTOYCQT-FOKLQQMPSA-N 472.527 2.391 30 10 JEEE CCOc1ccc(N2CCN(CC(=O)N3CCC[C@H](Oc4nccnc4C#N)C3)C2=O)cc1 238860953 KQNZUKICZBUTNA-IBGZPJMESA-N 450.499 2.059 30 10 JEEE COC(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)OC 504589050 XWFDREYZNGAQBP-BFXROSIGSA-N 491.625 2.389 30 10 JEEE COC(=O)Cc1ccc(N2C(=O)C(Sc3nc(C)cc(C)c3C#N)=C(N(C)CCO)C2=O)cc1 526697258 YTGBMKJBRFAPNH-UHFFFAOYSA-N 480.546 2.087 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)C[S@](=O)CC(=O)N3CCc4ccccc4C3)cc21 526888903 KCQCTJDLANBEII-YTTGMZPUSA-N 452.532 2.114 30 10 JEEE COc1ccc(CCn2c(=C(C#N)C(=O)N3CCCC3)sc(=Cc3ccccc3)c2=O)cc1 603793838 BNYMIWXUMXRXLV-UHFFFAOYSA-N 459.571 2.287 30 10 JEEE CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CCc1cccs1 729673024 REIFTPXRPBCQHZ-UHFFFAOYSA-N 477.615 2.137 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NCc2ccccc2CN2CCC(O)CC2)C1 1223208105 HSAKFSHEHAUMQV-PZJWPPBQSA-N 457.575 2.202 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CCc1ccc(C)cc1C)[C@@H]1CCS(=O)(=O)C1 1286385700 ZAWCWSGRVJQFBX-RDGATRHJSA-N 486.638 2.416 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CSCCS1)[C@H]1CCS(=O)(=O)C1 1286387398 DBVIAZNJYITMBZ-RBUKOAKNSA-N 473.649 2.292 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1Cc1ccc(OC)c(OCC)c1)[C@H]1CCS(=O)(=O)C1 1286387399 QSVHFRRKVIEKHV-IBGZPJMESA-N 483.594 2.366 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCCNc1ccccn1)[C@@H]1CCS(=O)(=O)C1 1286388317 NIWSFGIKLNCFLU-OAQYLSRUSA-N 475.578 2.341 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ccccc1OCC(C)C)[C@@H]1CCS(=O)(=O)C1 1286388715 AZYDCIZLIDMSJG-HXUWFJFHSA-N 480.594 2.445 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H](c1cccnc1)C(C)C)[C@@H]1CCS(=O)(=O)C1 1286389695 OSTWXQIPWCEEAI-NHCUHLMSSA-N 467.599 2.140 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CC1(O)CCCC1)[C@@H]1CCS(=O)(=O)C1 1286397206 RZOQDOVAUGSSIH-LJQANCHMSA-N 458.584 2.097 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccc2c(c1)C(=O)NCC2 1286415877 SBHKVPIWQULMGW-OYRHEFFESA-N 488.592 2.456 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CCOc2ccc(Cl)cn2)CC1 1286489723 DSNJWHPDYWSJOX-UHFFFAOYSA-N 465.945 2.433 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(S(C)(=O)=O)CC1 1286574137 UUKQYAGBEMURFF-UHFFFAOYSA-N 456.572 2.172 30 10 JEEE C=CCN(c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCCS(=O)(=O)C1)C1CC1 1286735385 XZIMEQKQVLYXEV-QGZVFWFLSA-N 493.655 2.175 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCN(C(=O)OC)CC1 1286781897 DGWMOFSWBLBMII-HNNXBMFYSA-N 458.588 2.322 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1286788669 BPHCBEXBPRLDFA-GOSISDBHSA-N 456.566 2.299 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CCCc3cccnc32)C1 1286800845 RQBLASFIKIXJQA-BHIYHBOVSA-N 460.604 2.185 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC2CCCCC2)CC1 1286820847 TUWGXGGPSSNHJJ-OAQYLSRUSA-N 465.664 2.475 30 10 JEEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cc(F)cc(F)c2)CC1 1286823599 OYZXSVNGKUBJNZ-HNNXBMFYSA-N 486.614 2.412 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCN1CCC[C@H]1C(=O)N(C)C 1288513206 CMPCXXHZUATSKL-ICSRJNTNSA-N 481.601 2.397 30 10 JEEE CCN(CC)[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1295553260 HULXVFKYALAZJZ-HXUWFJFHSA-N 466.634 2.194 30 10 JEEE CCn1cccc(Cn2c(CCN3CCN(c4ccccc4)CC3)nnc2N(C)C[C@@H](C)C#N)c1=O 1295950107 AKQPTFVWZHCFRB-QFIPXVFZSA-N 488.640 2.469 30 10 JEEE CCN1CCN([C@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N(C)C[C@@H](C)C#N)CC1 1296132275 AHXXVJWMFOPRFA-VQTJNVASSA-N 450.591 2.351 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1CC1(CCOC)CCC1)[C@H]1CCS(=O)(=O)C1 1300502422 UCWLWEFKMPPEMR-IBGZPJMESA-N 477.656 2.467 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(Br)cn2C)n1C[C@H]1CCCN1CCCO 1300558756 BEFYHSOQMLFEJZ-LJQANCHMSA-N 473.419 2.356 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CCCCS1(=O)=O 1300596319 PLTKTZWGMCQWFD-ZCNNSNEGSA-N 489.642 2.479 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(CNC(=O)c2cccs2)n1C[C@]1(O)CCN(C)C1 1300648521 HBAITLBGKDBDCZ-DEOSSOPVSA-N 482.585 2.115 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCNC(=O)OC(C)(C)C)CC1 1300718640 CHOLKCIZAVVSRO-UHFFFAOYSA-N 496.568 2.164 30 10 JEEE C=CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1301174698 TYCOHBGWUQBOSG-UHFFFAOYSA-N 493.612 2.431 30 10 JEEE C=CCn1c(COc2ccccc2CC)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1301470117 NFRBEWSOGLFZJY-UHFFFAOYSA-N 472.571 2.246 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(c2cnn(C)c2)CC1 1301513919 CDUUPVVYJOPMBB-UHFFFAOYSA-N 460.542 2.148 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@]2(CNC(=O)C2)C1 1301577670 RYJCJNNEJBUDHU-FQEVSTJZSA-N 467.954 2.055 30 10 JEEE C[C@H]1N(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CCOC1(C)C 1305240116 FOWXHQVJIGHOCB-AEFFLSMTSA-N 458.588 2.102 30 10 JEEE CCS(=O)(=O)CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)C[C@H](C)C#N 1314534728 HPJIXUWMXZAPHG-SJORKVTESA-N 468.624 2.423 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1358890977 XYHAKGVXKSAVHC-LUKYLMHMSA-N 477.553 2.438 30 10 JEEE C#CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(CC(=O)N(C)C)CC1 1358929368 YNAOIHPREDNTPD-HXUWFJFHSA-N 487.649 2.016 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1C[C@H](C)CN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1358958233 JWBHSNWOOBGFGN-WIYYLYMNSA-N 492.045 2.194 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Br)n1C[C@](C)(O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1358959659 NJHFHAFBHAZSGY-IERDGZPVSA-N 493.427 2.495 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1CCN(Cc2ccccc2)CC1 1358985094 PADRQXGYFVRAOY-OAQYLSRUSA-N 482.654 2.263 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(Cc2ccc(F)cc2)CC1 1359024955 ZDHHTVLCZLWULV-LJQANCHMSA-N 460.575 2.428 30 10 JEEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccccc2[C@H]1C 1359057596 DLGOATUKTXUTRQ-YLJYHZDGSA-N 475.640 2.101 30 10 JEEE C=C(C)CN(CC)c1nnc(CN2CCCC2=O)n1CCCN1C(=O)NC2(CCCC2)C1=O 1359115763 MLQMLORHIAILTR-UHFFFAOYSA-N 457.579 2.058 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 1359133016 KFIFMVPOGKWILK-FPOVZHCZSA-N 493.674 2.248 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@H](C(C)C)C1 1359291885 DIDGZVBIOLACDL-SFHVURJKSA-N 460.966 2.025 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1359304155 OELFNEJHSGRBEW-UHFFFAOYSA-N 483.617 2.360 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CC(F)(F)CO2)C1 1359324586 NQDZVTDDSGUUPL-CABCVRRESA-N 453.515 2.475 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(c2ncccn2)CC1 1359334484 HOTHHMZUEYSZAZ-UHFFFAOYSA-N 497.625 2.191 30 10 JEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](COC)c2cccc(Br)c2)cc1 1471306907 IVCHLDSXRBJIAW-GOSISDBHSA-N 451.342 2.478 30 10 JEEE CCCN1CC[C@@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2cccc(C#N)c2)C1 1500938111 BSTJUDDRHMFXPU-NHCUHLMSSA-N 456.616 2.420 30 10 JEEE CO[C@@H]1COCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(CC#N)CC1 1504527166 BKLCZCWHDWLZAQ-ZWKOTPCHSA-N 458.588 2.451 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc3cccnc23)n1CCS(=O)(=O)N1CCSCC1 1507527094 OGJUTMIYDKXJSL-QGZVFWFLSA-N 470.624 2.330 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc(C)o3)n2Cc2ccc(C(N)=O)nc2)c1 1507550153 UZZCYHXFZZXTDV-UHFFFAOYSA-N 469.505 2.445 30 10 JEEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1507589773 ZVFJUTOMQIRSOA-RTBURBONSA-N 487.605 2.040 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1507627195 IZLNTRNFPRCMSI-IEBWSBKVSA-N 476.599 2.403 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@H](C)N(C)C1CC1)[C@H]1CCS(=O)(=O)C1 1507634112 LCUCLBQEEUFZDK-UGKGYDQZSA-N 455.628 2.287 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCO[C@@H]1C(C)C 1507705491 DPHLGZXPFHXRPN-PZJWPPBQSA-N 460.600 2.496 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC(=O)NCCC)CC1 1507736223 MNHXHOZRBCDVMN-KRWDZBQOSA-N 470.549 2.049 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC[C@@H](C)N2CCCCC2)CC1 1507741041 JWKCBOYWZAJUQD-PUHATCMVSA-N 486.661 2.232 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1507802690 COSNSDWKRBUMMS-DGQTTZFYSA-N 473.549 2.490 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC([C@@H]2CCCO2)CC1 1507809549 XAMKHKWRVVJCRU-LMCOJAPRSA-N 467.636 2.265 30 10 JEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(Cn2cncn2)CC1 1508058873 JFLZIKKJLNKVQG-SFHVURJKSA-N 458.567 2.281 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1508086236 YLOZNIVYLFWSHY-UHFFFAOYSA-N 475.475 2.167 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1508091863 OFIXYTYEXAZLPP-JOCHJYFZSA-N 482.629 2.325 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1508095153 STPJHBNLQWNLNP-NRFANRHFSA-N 465.558 2.033 30 10 JEEE C=CCNC(=O)Cn1c(N2CCO[C@@H](c3ccccc3F)C2)nnc1[C@]1(OC(C)C)CCOC1 1508099157 VDIIWHMTCLSIAN-YKSBVNFPSA-N 473.549 2.338 30 10 JEEE CC(C)NC(=O)c1nnc(N(C)[C@H](C)CC#N)n1Cc1ccccc1CN1CCC[C@@H]1CO 1509577536 GEMHTAPXKJBNNP-WIYYLYMNSA-N 453.591 2.160 30 10 JEEE C#CC[C@@]1(C(=O)Nc2nn(CCS(=O)(=O)CC)cc2C)CCCN1C(=O)OC(C)(C)C 1524896459 YDFIQNVRAFMTAS-NRFANRHFSA-N 452.577 2.358 30 10 JEEE C#CCNC(=O)C1CCN(C(=O)c2cc(OC)c(OCc3cscn3)cc2[N+](=O)[O-])CC1 1530233910 BVCDAMXJUCRWOX-UHFFFAOYSA-N 458.496 2.241 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1cn(C2COC2)nn1 1539016467 YQTBXGJILBUMGL-DLBZAZTESA-N 470.578 2.062 30 10 JEEE C#CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@@H](NC(=O)CC)C1 1539068212 PVESEMPOKCIMCX-GOSISDBHSA-N 461.570 2.491 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccccc1-n1cccn1)[C@H]1CCS(=O)(=O)C1 1539202053 FLDMIVTWGYNAAG-IBGZPJMESA-N 452.584 2.436 30 10 JEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1Cc1ccco1)[C@H]1CCS(=O)(=O)C1 1539224903 KBHJASQIPZPYPQ-IBGZPJMESA-N 454.552 2.340 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CCC1(COC)CCC1)[C@H]1CCS(=O)(=O)C1 1539225307 MTFCNNRWWHDKOH-FQEVSTJZSA-N 457.600 2.097 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2[nH]c(C)c(C)c2c1 1539296662 SLOCGZWMDSKQIC-SFHVURJKSA-N 452.584 2.498 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 1539476738 DMYJQKVWNTWHGL-FQEVSTJZSA-N 496.616 2.044 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2cc(Cl)ccc2OC)CC1 1539477573 RDKNBLUKIDWZKG-UHFFFAOYSA-N 465.945 2.411 30 10 JEEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1 1539578972 GMRDPXIIRIJHAT-UGSOOPFHSA-N 488.383 2.034 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](CN2CCC(C)CC2)C1 1539704836 JQENCEYHLOWKRY-LEWJYISDSA-N 480.679 2.135 30 10 JEEE C=C(C)COCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCCN(CCC)C(=O)C1 1539743244 ZJYAFACRWGAVME-UHFFFAOYSA-N 489.646 2.280 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1540863604 ZHTKGLFUWXVKEC-AOMKIAJQSA-N 494.017 2.389 30 10 JEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](c2noc(C(C)C)n2)C1 1540874371 DQKFZVJTSFGVCA-GOSISDBHSA-N 467.578 2.332 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1540875159 CQGRAALIXMYCTJ-KRWDZBQOSA-N 473.921 2.082 30 10 JEEE CC(=O)N[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2([S@](C)=O)CCC2)C1 1541039183 AGSAATXIFMTCBH-FPYOTAMTSA-N 470.599 2.135 30 10 JEEE COCCNC(=O)[C@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CCN1S(=O)(=O)c1ccccc1 1548371145 YKDLVVOEIWHAOJ-HXUWFJFHSA-N 496.511 2.219 30 10 JEEE CNC(=O)[C@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CC12CCN(C(=O)c1cnccn1)CC2 1548377540 OUSQCUMHELAONA-GOSISDBHSA-N 472.471 2.472 30 10 JEEE CSCc1cccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)c1 1555889632 CVURCAXHILZCKX-KUHUBIRLSA-N 452.581 2.242 30 10 JEEE C=CCn1c(SCC(=O)N[C@]2(C(N)=O)CCOC2)nnc1-c1ccc(Cl)cc1Cl 1557235682 MQNPQFAVIMRADF-GOSISDBHSA-N 456.355 2.291 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CC1(C(N)=O)CCOCC1 1587598366 AOESQHKPQIDVCO-KRWDZBQOSA-N 455.559 2.481 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2CCOc2ncccc2F)c1 1587697501 RDDWAFSBNBMZDD-UHFFFAOYSA-N 491.527 2.070 30 10 JEEE C#CCN(c1nnc(C(C)C)n1Cc1cccc(NC(=O)[C@H]2CCCO2)c1)[C@H]1CCS(=O)(=O)C1 1588030639 ZDGULOQIIVOEPH-LEWJYISDSA-N 485.610 2.194 30 10 JEEE C#CCN(c1nnc(-c2ccccc2F)n1Cc1csc(COC)n1)[C@H]1CCS(=O)(=O)C1 1588045856 RQDDSSYZDIWQQU-INIZCTEOSA-N 475.571 2.362 30 10 JEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1594679286 CTUXYCWOZYZNBD-INIZCTEOSA-N 463.564 2.089 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCSC[C@H]1C 1595658723 JEANNJIHHPQGSC-YLJYHZDGSA-N 493.655 2.166 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H](C(=O)NC)C1 1595760772 SHKATKSMXOOIGC-SJORKVTESA-N 479.578 2.120 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCCN(Cc2ccc(F)cc2)CC1 1595796977 CPMYOBJYKYLWCM-FQEVSTJZSA-N 477.606 2.234 30 10 JEEE CC(C)COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCOC[C@H]2C)CC1 1607630858 FLACTXKAFXHFHX-HXUWFJFHSA-N 481.601 2.452 30 10 JEEE C#CCn1ccc(CN(CC)[C@@H](C)C(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)n1 1617668054 KWAMVVNRLRAWGS-HNNXBMFYSA-N 451.980 2.269 30 10 JEEE CN(Cc1nccs1)c1nnc(COc2ccc(C#N)cc2)n1CCC(=O)N1CCOCC1 1618024538 HGMBWQVVRKPBNH-UHFFFAOYSA-N 467.555 2.071 30 10 JEEE Cn1cccc1-c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CC(=O)NCC(F)(F)F 1618449180 CGIWYRUHAPBNIM-SFHVURJKSA-N 473.459 2.412 30 10 JEEE CNC(=O)CC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@](C)(O)C2CC2)CC1 1618729133 BRAIGHJZJVOGRR-XMMPIXPASA-N 452.559 2.242 30 10 JEEE C=C(C)CN(Cc1ccc(CO)o1)S(=O)(=O)c1ccccc1S(=O)(=O)N1CCCC1 1622121596 OODMFPORUZOSLD-UHFFFAOYSA-N 454.570 2.323 30 10 JEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCn3ncc(Br)c3C2)cc1 1622886942 YZOCHWUBEYWVEM-UHFFFAOYSA-N 454.350 2.500 30 10 JEEE C=CC[C@H](NC(=O)N1CCN([C@H]2CCCN(c3cc(C)nn3C)C2=O)CC1)c1ccncc1 1684648379 JDGLEUFJYGXOIC-SFTDATJTSA-N 451.575 2.264 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2CCNC(=O)OC(C)(C)C)c1 1689872485 ZVUFLVMQQCXTCJ-SFHVURJKSA-N 468.558 2.363 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2CCCc2c[nH]nc2C)c1 1689873718 UHZMJHCLSBBBIE-UHFFFAOYSA-N 474.569 2.121 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1CC(C)(C)c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1689987960 GMZUNQAZQCVGIP-LJQANCHMSA-N 468.558 2.479 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cn2cc(Cl)cc(Cl)c2n1 1690102007 ACNOCZNVUPBXPW-INIZCTEOSA-N 462.341 2.318 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@](C)(O)CCOC)CC1 1690139628 VEFKVMSEXKZRRI-XMMPIXPASA-N 490.004 2.360 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CN(C)C(C)C)CC1 1690174606 FMVASMNGCGIWLP-LJQANCHMSA-N 453.678 2.103 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOC)[C@H](CCC)C1 1690245563 JWRGKOAZKDXUOU-YSFYHYPLSA-N 495.690 2.099 30 10 JEEE C=CCN(CCOC)c1nnc(-c2ccccn2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1690615310 ACYAFXMBRRVHKN-AZUAARDMSA-N 460.604 2.183 30 10 JEEE C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1690631027 HJFNNAQWBJIXRE-AWEZNQCLSA-N 450.385 2.258 30 10 JEEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1690632800 QKYMURHIWOLPNV-SFHVURJKSA-N 486.642 2.104 30 10 JEEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1690660756 NXZCUEADDFYVBV-LEWJYISDSA-N 486.642 2.127 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N(C)[C@@H](C)c1cccc(N2CCOC2=O)c1 1690671525 XYLDQXJMPRCAAW-FUHWJXTLSA-N 454.531 2.238 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCc2cc(OC)c(OC)cc2C1 1690723975 FLYVWOQDPAASML-GOSISDBHSA-N 476.599 2.353 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1690723989 FTUCFCVDGIACPK-AWEZNQCLSA-N 474.509 2.008 30 10 JEEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C)(c2nc(C)no2)CC1 1690734167 XOHWTIAQRRMNBT-AWEZNQCLSA-N 469.637 2.057 30 10 JEEE CN(CCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)OC[C@H]2C1)C(=O)OC(C)(C)C 1696812528 GPKYQHFEFYLTCB-GOSISDBHSA-N 467.530 2.324 30 10 JEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1705516928 LLFQFXKGPQQCSW-QGZVFWFLSA-N 463.007 2.359 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1ccccc1F)C1CC1 1705534182 BGDJLBMLTBYIBO-HXUWFJFHSA-N 461.563 2.333 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCOc1ccc(Cl)cn1)[C@H]1CCS(=O)(=O)C1 1705566305 NCAILRLYOVYTEU-INIZCTEOSA-N 460.947 2.027 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@H](CNC(C)=O)C1 1705698658 WXSOHLACOBWDTP-SUMDDJOVSA-N 493.406 2.358 30 10 JEEE C=CC[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1)c1ccccc1 1705797483 XGUXKELYOYVQPY-QKNQBKEWSA-N 450.543 2.399 30 10 JEEE C=CCNC(=O)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1C[C@@H](C)[C@@H](C)C1 1705907350 JOQJXERQXCTYIS-OYRHEFFESA-N 451.619 2.037 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 1705935229 KRSYNKKNQKCKKB-GOSISDBHSA-N 454.637 2.489 30 10 JEEE C=CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@@H](C(N)=O)C1 1705945180 DGASGTBIAHKFMJ-GOSISDBHSA-N 456.620 2.073 30 10 JEEE CC(C)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2([S@@](C)=O)CCC2)CC1=O 1706514563 BREBYXWDMLGTFA-UUWRZZSWSA-N 484.626 2.335 30 10 JEEE CCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1709441753 BDQHQEGGWDUPEU-VWLOTQADSA-N 474.569 2.188 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCc1ccccc1C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1722359418 SRDIUUOMUBZQPJ-QGZVFWFLSA-N 497.543 2.305 30 10 JEEE C#CCN(c1nnc([C@@H]2COc3ccccc3O2)n1CC(C)(C)COC)[C@@H]1CCS(=O)(=O)C1 1722365086 COKNKXLDGJCLDB-XLIONFOSSA-N 474.583 2.090 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1ccc(C)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1722366613 JEXMMIAEKOMKFW-PMACEKPBSA-N 458.584 2.164 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1cnccc1OC)[C@H]1CCS(=O)(=O)C1 1722371982 ZWERUQBKALPPCT-QKNQBKEWSA-N 487.626 2.275 30 10 JEEE C#CCN(CC#C)c1nnc(CSc2ccc(C)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1722388437 XSIQJJYABQYOAN-IBGZPJMESA-N 457.625 2.233 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(C(=O)N(CC)CC)cc1 1722467083 LWCXIXLJZFDTMW-HOYKHHGWSA-N 486.642 2.411 30 10 JEEE C=C(C)Cn1c([C@@H]2CCCCO2)nnc1N1C[C@@H]2[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1722522515 TZZVIHRNSZBDIF-VSZNYVQBSA-N 481.619 2.222 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2ccco2)C1 1722588221 NFARNLNDUBJDPJ-RTBURBONSA-N 479.603 2.384 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](CCOC)C1 1722588407 SBMLLTKNGIDHKR-QZTJIDSGSA-N 455.625 2.076 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cc2ccccn2)n1CC1(O)CCS(=O)(=O)CC1 1722654335 LMGQHCKVQVFQNV-UHFFFAOYSA-N 497.621 2.405 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(c2ccnn2C)CC1 1722693346 KTAANAYXQVKXEX-UHFFFAOYSA-N 473.379 2.455 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ccccc2OC)CC1 1722728015 SPBVOYFVMXNONZ-NRFANRHFSA-N 475.615 2.456 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCC(CC(=O)NC)CC1 1722729738 VTZARRYRPDUJPL-UHFFFAOYSA-N 459.616 2.131 30 10 JEEE C#CCCCn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1740585126 ODHVXUTVDGUIPO-HXUWFJFHSA-N 496.612 2.403 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(F)c(Cl)c1 1740591940 RLMLRIYFIACBMK-GOSISDBHSA-N 469.970 2.453 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1csc([C@H](C)OC)n1)[C@H]1CCS(=O)(=O)C1 1740626851 WOKOTDKDQGWCTO-LPHOPBHVSA-N 486.623 2.103 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2ccc(C(=O)N3CCCCC3)cc2)CC1 1740691239 XMAAZIFWVNERSU-JOCHJYFZSA-N 494.640 2.432 30 10 JEEE C#CCSCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1740712731 RSFVJYFYOYSBRJ-HNNXBMFYSA-N 454.021 2.435 30 10 JEEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1740789451 FAMYXVVHFTUTKM-MRXNPFEDSA-N 469.011 2.352 30 10 JEEE C=CCC(C)(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1740843589 LRWNOMVKCAGWRS-GOSISDBHSA-N 474.993 2.415 30 10 JEEE C=CCN(C)c1nnc(-c2ccc(F)cc2Br)n1C[C@]1(O)CCS(=O)(=O)C1 1740895189 UNCJKGQLAGVRMG-QGZVFWFLSA-N 459.341 2.019 30 10 JEEE C=CCN(CC=C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccnc1N1CCOCC1 1740926395 WNVKTCCJYDYMQQ-UHFFFAOYSA-N 460.542 2.384 30 10 JEEE CCO[C@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@@H]2CN(CC(C)C)CCO2)CCOC1 1746710557 ICLMTEKYNIAWLU-NKKJXINNSA-N 460.623 2.417 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CCc1ccc(CC)cc1)[C@@H]1CCS(=O)(=O)C1 1748806095 ZEXDMGUTDVWUBE-RDGATRHJSA-N 486.638 2.362 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1748814848 KBGSZEFDPGJKKY-WOZUAGRISA-N 493.674 2.034 30 10 JEEE C#CCN(c1nnc(CSc2ccccc2OC)n1C[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1748825130 VUQFYVUSVCSUHM-QZTJIDSGSA-N 476.624 2.242 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H](c2cccc(F)c2)N(C)C)CC1 1749009192 GEAFBARNAAZPFC-IFMALSPDSA-N 468.577 2.190 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(CCSC2)C1 1749118628 HPWOFIKWFQSIPF-WWNBULGVSA-N 455.650 2.203 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cnc(C(C)C)nc1 1749119545 UBVKFHCFHHVSRK-UHOSZYNNSA-N 477.635 2.419 30 10 JEEE C=C(Cn1c([C@@H](C)OCCOC)nnc1N1CCN(c2cnn(C)c2)C(=O)C1)c1ccccc1 1749242117 BZJCJGLNXKMSNW-LJQANCHMSA-N 465.558 2.302 30 10 JEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(Oc2ncccc2F)CC1 1749426745 GRXSCRQMFWWGHH-IBGZPJMESA-N 494.593 2.159 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)c1nc(C)cs1)C1CC1 1749519352 JRJLQGOMPCHYRD-PBHICJAKSA-N 466.633 2.334 30 10 JEEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@@H]1CSC 1749669572 LXKDRRYEVBLROA-GOSISDBHSA-N 456.620 2.086 30 10 JEEE CC(=O)N1CCC[C@H](Cn2c([C@@H]3COCCN3C(=O)OC(C)(C)C)nnc2N(C)C[C@@H](C)C#N)C1 1749821284 GCXNJWQLHRZQPW-IHPCNDPISA-N 489.621 2.441 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCCN(C(C)C)C2)c1 1760128795 SNCQXIGWLIHOAP-UNMCSNQZSA-N 477.613 2.406 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1CC(C)(C)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1760184988 NIDCVGCZXMDOAM-KRWDZBQOSA-N 488.614 2.270 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1ccc(N(CC)CC)nc1 1760199206 RGAWJJBGDXAEOR-UHFFFAOYSA-N 466.553 2.283 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CC2(c3ccc(F)cc3)CC2)CC1 1760265040 LVJBKUTVUZFJIQ-UHFFFAOYSA-N 466.561 2.253 30 10 JEEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 1760506988 YIHGZQKVSDNGOK-KGLIPLIRSA-N 454.622 2.406 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1760518812 ICHRQCWNGWYWIS-UHFFFAOYSA-N 456.554 2.403 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCCN(CC(F)(F)F)CC1 1760522005 JXWKCANGGLQAAR-SFHVURJKSA-N 480.491 2.167 30 10 JEEE CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2csc(C)n2)CC1 1767213918 DCLCHPMRGJVKSW-UHFFFAOYSA-N 464.599 2.083 30 10 JEEE CN(C)c1ccc([C@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2CCCNC=O)cc1 1862739280 VNZFRCPCWBFXRX-FQEVSTJZSA-N 452.467 2.375 30 10 JEEE C[C@@H](NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(=O)N(CCN)C(=O)OC(C)(C)C 1868784192 WCOSDLBSUKPUPN-NVXWUHKLSA-N 463.604 2.252 30 10 JEEE CCCCn1cc(OCC(=O)Nc2sc3c(c2C#N)CCC3)c(=O)cc1CN1CC(O)C1 1870323637 ALGIHVSWFUTRPY-UHFFFAOYSA-N 456.568 2.264 30 10 JEEE C=CCn1c(C(=O)NCCN2CCOCC2)cc2c(N3CCN(c4ccccc4F)CC3)ncnc21 1873594161 NKPUHNMNTGHLNP-UHFFFAOYSA-N 493.587 2.145 30 10 JEEE COC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)(C)C)C2)n1/N=C/c1ccc(O)c([N+](=O)[O-])c1 1874278217 MXPSTQJKICFDMV-UWPAOYMWSA-N 476.515 2.154 30 10 JEEE CCCOc1c(Br)cc(/C=N/n2c(CCOC)nnc2SCC(N)=O)cc1OC 1874470444 GDSYJVOVXPUOJT-UFFVCSGVSA-N 486.392 2.487 30 10 JEEE C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@]1(C(=O)O)CC[C@H](CNC(=O)OC(C)(C)C)C1 2059567927 GTCSVBHXUGMSSJ-DFFLPILJSA-N 453.536 2.167 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)NCCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2180959555 FPLNIHDVWCXTRT-LJQANCHMSA-N 460.380 2.280 30 10 JEEE Cc1csc(C(=O)N(CCO)CCNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2255634159 MXYBPAVWWRTQAO-UHFFFAOYSA-N 454.398 2.315 30 10 JEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H]1CON(C(=O)OC(C)(C)C)C1 2255739590 MXUTXHJNCZKQOZ-ZDUSSCGKSA-N 474.410 2.185 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](NC(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2255879265 MMFMTFABFYAFHH-CABCVRRESA-N 452.382 2.147 30 10 JEEE CC(C)(C)OC(=O)N1CCSC[C@H]1C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2256625238 UFMZWUBRPAFDIB-ZDUSSCGKSA-N 469.438 2.411 30 10 JEEE CC[C@]1(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)CCN(C(=O)OC(C)(C)C)C1 2256627518 VUIARRICDBJIHG-FQEVSTJZSA-N 452.386 2.235 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NC[C@@H]2C[C@@H]3COC[C@H]3N2C(=O)OC(C)(C)C)C1 2266482761 PEAXFUDMVYUZIA-BNLNMVPUSA-N 463.575 2.434 30 10 JEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](CO)C1 2281806138 HQYKBJMJXVEKTB-WBVHZDCISA-N 464.368 2.235 30 10 JEEE CC(C)(C)OC(=O)N1CC2(COC[C@@H](CNC(=O)[C@H]3C[C@@H](B4OC(C)(C)C(C)(C)O4)C3)O2)C1 2281949038 DVWCHBGCUUDVCX-IXDOHACOSA-N 466.384 2.380 30 10 JEEE Cc1cnc(C(=O)N2CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2281949178 GMLNJAZGJMZUPC-HIFRSBDPSA-N 455.286 2.218 30 10 JEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC(C)(C)[C@H]2CCCN2C(=O)OC(C)(C)C)n1 2281953512 LNRBIEODRCNCEL-CQSZACIVSA-N 463.388 2.022 30 10 JEEE Cc1cnc(C(=O)N2CCOC[C@H]2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2281954588 BVAXVUFYPIMANM-MRXNPFEDSA-N 461.368 2.055 30 10 JEEE CN(C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1)C1(CNC(=O)OC(C)(C)C)CCCC1 2281954604 BYGNHJZQEQBNAG-UHFFFAOYSA-N 463.388 2.024 30 10 JEEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@H](F)[C@@H](NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C2 2281978123 YKQXAQUCTBOWKH-QCEMKRCNSA-N 464.347 2.317 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](C2CC(NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)C2)C1 2281993322 ZJQVZIKKNJDSAX-FHERZECASA-N 460.384 2.474 30 10 JEEE C[C@@H](NC(=O)OC(C)(C)C)C1CCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CC1 2282044015 QRPZRPFYIXYEDM-OAHLLOKOSA-N 462.400 2.485 30 10 JEEE CCC(CC)(CNC(=O)OC(C)(C)C)N(C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282173926 CMKFDGXVNJXMCX-UHFFFAOYSA-N 465.404 2.270 30 10 JEEE C[C@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)C[C@H](C)C1NC(=O)OC(C)(C)C 2282532841 CVEDGQXCRGBDGY-GJZGRUSLSA-N 462.400 2.341 30 10 JEEE Cc1cc(C(=O)NC[C@@H]2CN(C)CCN2C(=O)OC(C)(C)C)oc1B1OC(C)(C)C(C)(C)O1 2282593227 NMVRPEMKMXXUOA-MRXNPFEDSA-N 463.384 2.168 30 10 JEEE C[C@@H]1CCC[C@H](CNC(=O)OC(C)(C)C)N1C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2282616768 BIUPQBQADODDLE-HUUCEWRRSA-N 463.388 2.022 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2OCCN(C(=O)c3cccc(B4OC(C)(C)C(C)(C)O4)c3)[C@@H]2C1 2282664686 GRUSKWNMIVUXFC-MOPGFXCFSA-N 458.364 2.446 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2282832609 BGVPOZLGOPYSPM-IZZQQSIFSA-N 478.420 2.438 30 10 JEEE CC(C)(C)OC(=O)N1CC([C@H](F)CNS(=O)(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2282845575 VRKRTAPITYIGEE-QGZVFWFLSA-N 484.399 2.469 30 10 JEEE C[C@H]1C[C@@H](NC(=O)C(F)(F)F)CCN1C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1O 2282882969 TWDHCHZDDRDCHI-JSGCOSHPSA-N 456.270 2.363 30 10 JEEE C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2cccc(B3OC(C)(C)C(C)(C)O3)c2C1 2283971679 KAWMKTPEGWFIJO-HNAYVOBHSA-N 460.380 2.145 30 10 JEEE CC1(C)OB(c2ccccc2S(=O)(=O)N2CCC[C@H](NC(=O)C(F)(F)F)CC2)OC1(C)C 2286110930 FJZJVLRWOBQISM-AWEZNQCLSA-N 476.326 2.208 30 10 JEEE COc1cc(C=Nn2c(S)nnc2CNC(C)=O)ccc1OCC(=O)Nc1ccc(C)cc1 2321943087 VFINMDQAUUUGFV-UHFFFAOYSA-N 468.539 2.420 30 10 JEEE CC(=O)NCc1nnc(SCC(=O)Nc2ccccc2)n1N=Cc1ccc(C(=O)O)cc1 2330718671 JADACNGQFSPYCQ-UHFFFAOYSA-N 452.496 2.225 30 10 JEEE CCOc1cc(C=Nn2c(COC)nnc2SCC(=O)OC)ccc1OCC(=O)N(CC)CC 2331589761 RYBWMURFSAWMQG-UHFFFAOYSA-N 493.586 2.218 30 10 JEEE CO[C@H](CNC(=O)OC(C)(C)C)CNS(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2339879925 ZMZAYAQTWLDLPO-CQSZACIVSA-N 490.453 2.174 30 10 JEEE Cc1scc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H](O)C2)c1B1OC(C)(C)C(C)(C)O1 2343518407 BXBCTPSZJYZWIT-OAHLLOKOSA-N 466.409 2.410 30 10 JEEE CC(C)[C@H]1[C@H](NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)CCN1C(=O)OC(C)(C)C 2362325661 HLCLHRLOKGOLGI-CVEARBPZSA-N 462.400 2.483 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@]1(C)CN(C(=O)OC(C)(C)C)CC1(F)F 2362357666 PSDZAPFNFZGDDI-HXUWFJFHSA-N 470.326 2.094 30 10 JEEE C[C@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)C[C@H]1CCNC(=O)OC(C)(C)C 2362466036 WLDCYIIVWPUCBW-JKSUJKDBSA-N 462.400 2.342 30 10 JEEE Cc1cc(C)nc(N/C(=N/C(=S)NC[C@@H]2CCCO2)N2CCN(c3ccccn3)CC2)n1 14159819 AJHDMVSOYNIOSH-SFHVURJKSA-N 454.604 2.132 30 10 JEEE C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)OCC(=O)Nc1ccc2c(c1)OCO2 18759887 SKESQENTKRUNAG-XMMPIXPASA-N 463.446 2.062 30 10 JEEE Cc1sc(-c2noc(C(=O)N3CCOCC3)n2)cc1S(=O)(=O)Nc1cccc(C#N)c1 65097733 BAFTYOBYIVGVBQ-UHFFFAOYSA-N 459.509 2.251 30 10 JEEE CCOC(=O)[C@@H]1CCCN(c2nc3c(c(=O)[nH]2)[C@@H](c2cccc(Cl)c2)[C@@H](C#N)C(=O)N3)C1 72445723 LJSUKGRPIBMRPO-BMFZPTHFSA-N 455.902 2.427 30 10 JEEE CCOc1ccc(/C(O)=C2\C(=O)C(=O)N(c3ccccc3)[C@@]2(C(=O)OC)N2CCOCC2)cc1 102540112 XFODXOXWVLUPIM-BAVOEBSPSA-N 466.490 2.172 30 10 JEEE C#CCN(CC(=O)O)C(=O)[C@@]1(C)COC[C@H]1NC(=O)OCC1c2ccccc2-c2ccccc21 757298830 ULYHGBNNKZGTNS-GJZUVCINSA-N 462.502 2.477 30 10 JEEE C=CCN(C(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)c1nc(C(=O)OCC)cs1 920244182 WENBWEBMHGRCBJ-JOCHJYFZSA-N 454.508 2.232 30 10 JEEE C=CCn1cc(C=NNc2nc(SCC(=O)Nc3nnc(SCC)s3)n[nH]2)cn1 1084003222 FBMPSRNAXKANFE-UHFFFAOYSA-N 450.579 2.328 30 10 JEEE C#CC[C@@H](CCOC)NC(=O)c1ccc(NC(=O)C[C@@H]2SC(N3CCCC3)=NC2=O)cc1 1149972513 VBGRBFYHLNIDNY-HKUYNNGSSA-N 456.568 2.267 30 10 JEEE C#CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1286338506 CEXMNZDEDFTDSB-UHFFFAOYSA-N 475.553 2.196 30 10 JEEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc([C@@H](F)C(F)(F)F)cc1 1286375983 BRKALALYIMXMGR-DLBZAZTESA-N 489.495 2.302 30 10 JEEE C#CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCCS1(=O)=O 1286382549 YKMPMBKIUXZXRZ-SJORKVTESA-N 451.593 2.387 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N[C@@H](C)CC)CC1 1286489539 WSGYODWAWRUHOW-SFHVURJKSA-N 461.570 2.087 30 10 JEEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1286542861 DEOPCEIETNRRPA-DOXZYTNZSA-N 454.369 2.082 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)c2ccsc2)CC1 1286550053 YWOINWQPDPKOPA-IEBWSBKVSA-N 472.615 2.421 30 10 JEEE C=C(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1286584920 QWRPMFIFCWOVCV-UHFFFAOYSA-N 481.022 2.203 30 10 JEEE C=CCNC(=O)Cn1c(N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)nnc1C1(c2ccccc2)CCC1 1286793438 XYOZVHZSNSKHSW-QZTJIDSGSA-N 459.616 2.308 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCC(=O)NCc2ccccc2)C1 1286798717 NLELAQKFNPRFMW-FQEVSTJZSA-N 452.559 2.002 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN(CC)C(=O)OC(C)(C)C)C1 1286809750 KVTXXFRGBJWZDE-ROUUACIJSA-N 483.635 2.219 30 10 JEEE CC(=O)NC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2nc(C)c(C)s2)CCO1 1286944385 HOJADFUARGTMPB-HXUWFJFHSA-N 481.582 2.192 30 10 JEEE CC(C)NC(=O)c1nnc(N(C)C[C@@H](C)C#N)n1Cc1ccccc1CN1CCC[C@@H]1CO 1286959840 IDVYIAMLAVECDA-GHTZIAJQSA-N 453.591 2.017 30 10 JEEE CCC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCS(=O)(=O)C2)CCN1CCOC 1294066105 FQQREBIGOCOHEO-IRLDBZIGSA-N 486.642 2.189 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cn3nc(C)cc3C)n2C[C@@]2(C)COCCO2)c1 1300336775 NHBGNSHPWILSPK-VWLOTQADSA-N 477.569 2.001 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1CCOc1ccc(F)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1300488954 XXCCLMFAXCFHHF-QGZVFWFLSA-N 473.505 2.324 30 10 JEEE C#CCN(c1nnc(C2CCCC2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O)[C@H]1CCS(=O)(=O)C1 1300492651 OJHIYRSSHMHFMZ-FPOVZHCZSA-N 487.601 2.046 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCSCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1300505336 ZVIIITMASLCPOX-INIZCTEOSA-N 490.577 2.062 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCNC(=O)OC(C)(C)C 1300569507 MXNWIKONZSXQKP-UHFFFAOYSA-N 475.557 2.299 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC(F)(F)F)cc1 1300671498 KEOAHVOQCVOXKH-MRXNPFEDSA-N 472.489 2.213 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccc(OC)cc3)n2CC2CCOCC2)CC1 1300729097 NBSUQTRFLBAOCB-UHFFFAOYSA-N 465.598 2.464 30 10 JEEE COCC[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1301439331 FCEGRUPASRCULV-RUZDIDTESA-N 481.601 2.332 30 10 JEEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1301503301 YJOOMKWOAMGMTB-QGZVFWFLSA-N 474.556 2.438 30 10 JEEE Cc1cccc(CCCn2c(C(=O)NC(C)C)nnc2N2CCN(c3nccnc3C#N)C[C@@H]2C)n1 1304481704 HOIABWRUYRQPRM-IBGZPJMESA-N 488.600 2.129 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1(SC)CC1)[C@@H]1CCS(=O)(=O)C1 1358958651 SVTXKDJKTDEZOX-QGZVFWFLSA-N 461.569 2.376 30 10 JEEE C#CCN(c1nnc(CN2CCCC2=O)n1CC[C@H](C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1358966658 TVFWFAHASHADAZ-PZJWPPBQSA-N 469.611 2.221 30 10 JEEE C#CCN(c1nnc(COCC)n1CCc1ccc(Br)cc1)[C@@H]1CCS(=O)(=O)C1 1358967076 CXNPYUNPWDEYLQ-GOSISDBHSA-N 481.416 2.447 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2Cc2c(Cl)c(C(F)(F)F)nn2C)CC1 1359034815 DFHODRLJZXLSQX-AWEZNQCLSA-N 471.915 2.381 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCC2(OC)CCC2)CC1 1359035826 FOYQWVKHXWDKTH-FQEVSTJZSA-N 488.633 2.301 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2C[C@H](C(C)C)N2CCOCC2)CC1 1359046779 FPMTUZPFQGXDLM-HSZRJFAPSA-N 470.662 2.333 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1359084042 WUXWHRITKTXOPK-ATZDWAIDSA-N 481.439 2.070 30 10 JEEE C=CCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(c2cnn(C)c2)CC1 1359223572 PLNCIRIRZXMYMX-UHFFFAOYSA-N 485.614 2.001 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C 1359296245 BXLIKXUSVNXCHU-SFHVURJKSA-N 454.575 2.339 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(F)ccc3Br)n2CC(=O)N2CCOCC2)C1 1359314589 DNAHXAPRVMNHNB-MRXNPFEDSA-N 494.365 2.487 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCN(Cc2cc(C)no2)CC1 1359330465 SHGQTNQNRIBODO-UHFFFAOYSA-N 470.599 2.473 30 10 JEEE CC(C)OCCn1c(-c2cccc(C#N)c2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1360398483 ARHRPPZEEKWKDK-UHFFFAOYSA-N 465.602 2.376 30 10 JEEE C=CCNC(=O)CNC(=O)c1cccc(NS(=O)(=O)c2ccc(Br)cc2)c1 1446847148 GKDOLXSLVJZTNH-UHFFFAOYSA-N 452.330 2.282 30 10 JEEE C#CCOCCNC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Oc1ccccc1 1475855578 VPUSEOCHZUQBPJ-UHFFFAOYSA-N 459.524 2.271 30 10 JEEE CCOC1CC(O)(Cn2c(-c3cccc(C#N)c3)nnc2N2CCCN(C(=O)C(C)C)CC2)C1 1502961131 ACGHWRNQWLMBNP-UHFFFAOYSA-N 466.586 2.441 30 10 JEEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1503254110 DZQHPNBLKJANBY-SFHVURJKSA-N 474.587 2.355 30 10 JEEE CNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCSC2)CC1 1503827448 BCYLKMJDWMHSAD-SFHVURJKSA-N 455.588 2.333 30 10 JEEE CO[C@@H]1COCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(CC#N)CC1 1504527163 BKLCZCWHDWLZAQ-QZTJIDSGSA-N 458.588 2.451 30 10 JEEE COCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1504895684 DGQXEJMKCOUGJH-UHFFFAOYSA-N 466.464 2.270 30 10 JEEE C#CCN(C)c1nnc(CSc2ccccc2OC)n1CCN/C(O)=C1/N=CC=CC1=O 1507618627 AUZOTYRLRMPCFB-MRCUWXFGSA-N 452.540 2.175 30 10 JEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CCNC(=O)c1cccc(C)c1 1507654955 VQDKFCJHYFKJCP-UHFFFAOYSA-N 460.563 2.081 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCN1CCCO[C@H](C)C1 1507680871 ONAMQVGTBBGWSY-LJQANCHMSA-N 459.616 2.309 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCS(=O)(=O)C1 1507702149 FVHUFHLIQUFUJB-ZJOUEHCJSA-N 476.574 2.216 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CN(CC(C)C)CCO1 1507703938 JWNHLAIYKBRTFW-GOSISDBHSA-N 479.423 2.479 30 10 JEEE C#CCSCCn1c(-c2ccc(C)o2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1507749839 YRNJNRFADYBPAH-UHFFFAOYSA-N 492.652 2.489 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCC(C)CC2)CC1 1507844198 DUQMJBHNUUZHBK-KBWCOIMZSA-N 465.664 2.474 30 10 JEEE C=CCCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1507935603 RJUYJCRASDHAET-UHFFFAOYSA-N 492.584 2.123 30 10 JEEE C=CCCOCCn1c(-c2ccccc2F)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1507960792 SSXZEODYVHXIOM-UHFFFAOYSA-N 456.566 2.421 30 10 JEEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1507966443 YAXRBWNCTGLDDJ-UHFFFAOYSA-N 453.469 2.229 30 10 JEEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(CC)Cc1cnn(C)c1 1508092297 YPCSTHHTJMEYGD-UHFFFAOYSA-N 486.621 2.455 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](n2cncn2)C1 1508097004 FVKRCKUFJMKYOM-ROUUACIJSA-N 485.593 2.085 30 10 JEEE C=CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(C(C)=O)C[C@H]1C 1508161353 KYCWOYOPCCSDBS-GOSISDBHSA-N 470.647 2.428 30 10 JEEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCN2S(C)(=O)=O)CC(C)(C)O1 1512403569 FURXPJXOLGQSCF-VQIMIIECSA-N 458.588 2.244 30 10 JEEE COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@@H]2CCO[C@@H](C)C2)CC1 1518641701 CSFUOVPOUNCYGQ-RBUKOAKNSA-N 452.559 2.317 30 10 JEEE CCOC(=O)c1cnc(C)c(NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 1537413057 BOLROIYTVOAXTI-UHFFFAOYSA-N 456.524 2.478 30 10 JEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(=O)c2ccccc2)CC1 1539052276 CIPBLDCKCUACRP-IBGZPJMESA-N 472.615 2.044 30 10 JEEE C#CCCCCn1c(N2CCN(c3nccc(OC)n3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1539087038 QMEOUHACRWQNBS-DEOSSOPVSA-N 469.590 2.247 30 10 JEEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@H]1CCCCS1(=O)=O 1539171972 QOPADKGZIUXDCV-KRWDZBQOSA-N 468.583 2.102 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H](C)CN1CCOCC1 1539283953 DEQWCKWHBVLPNO-NJYVYQBISA-N 470.618 2.090 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccccc2Cl)n1CCNS(=O)(=O)Cc1ccon1 1539311755 ZEDWUTJYCQSDLL-UHFFFAOYSA-N 472.958 2.169 30 10 JEEE C#CCN(CCOC)c1nnc(Cc2ccccn2)n1C[C@@H]1C[C@@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1539417826 VOGJXESZNBLHKU-HJNYFJLDSA-N 496.612 2.374 30 10 JEEE C=C(C)Cn1c(N2CCN(C(=O)[C@@H]3CCCO3)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1539723573 VAEBDTSRPMGQRH-OTWHNJEPSA-N 474.606 2.453 30 10 JEEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@](C)(C(=O)NC)C1 1539803384 ISZZBGAAPZAIAI-BTYIYWSLSA-N 468.986 2.301 30 10 JEEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1540006808 WWJVXIBASGEWTB-SFHVURJKSA-N 461.588 2.319 30 10 JEEE C=CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1540854190 OLRQCLHFJKLKIE-MRXNPFEDSA-N 476.534 2.383 30 10 JEEE C[C@@]1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(CC#N)CC2)CCCS1 1542017937 CALCAPAOYRNBBZ-PXNSSMCTSA-N 468.649 2.027 30 10 JEEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 1587879370 SIEDPUJKFCBETF-GOSISDBHSA-N 455.588 2.398 30 10 JEEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCOC1CCOCC1 1588387173 RSGQRUKMLBUMQV-UHFFFAOYSA-N 453.591 2.497 30 10 JEEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1CCO[C@@H](C)C1 1588646340 IXYFTFAFJCMZFQ-PMACEKPBSA-N 453.591 2.353 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCCN(C)C(=O)OC(C)(C)C)CC1 1588930039 LVLRQSANPOHOKH-FQEVSTJZSA-N 488.633 2.395 30 10 JEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC(OC[C@H]2CCCCO2)CC1 1588968055 GIPALHVQQODYGI-HXUWFJFHSA-N 461.632 2.435 30 10 JEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2ccc(F)cc2F)C1 1588983987 DZOUWHFSCBCBOT-RDTXWAMCSA-N 485.582 2.111 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccccc2OC)nnc1N(C)CC(=O)N1CCOCC1 1589558963 NDODFMDBQWJLPE-GBXCKJPGSA-N 469.586 2.154 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1595516527 FWTMYLKBRALXKD-OAHLLOKOSA-N 480.491 2.091 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1595805994 ZCEDFAOXHGHCMW-GOSISDBHSA-N 478.590 2.383 30 10 JEEE CCOCc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1C[C@@H](C)N1CCOCC1 1616885865 AMBXQISPLBCSQN-OAQYLSRUSA-N 467.618 2.119 30 10 JEEE C=CCCC[C@H](NS(=O)(=O)c1cc(S(C)(=O)=O)ccc1Br)C(=O)OC 1622571767 PQZDNYREDVOOSA-ZDUSSCGKSA-N 454.364 2.029 30 10 JEEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C(=O)OC)c2ccc(OC)c(Cl)c2)cc1 1638863263 IGSWFPVDCDQGAC-SFHVURJKSA-N 452.916 2.457 30 10 JEEE CC#CC[C@@H](CO)NC(=O)c1cccc(NC(=O)C[C@H]2SC(N3CCCCC3)=NC2=O)c1 1639839688 DQHCZEIUKGCICY-RBUKOAKNSA-N 456.568 2.003 30 10 JEEE CCC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1)OC 1649641334 GTQQIHULGCDLCE-OAQYLSRUSA-N 478.557 2.131 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nc2c(s1)C[C@H](C)CC2 1690046324 AVKVWUASTMUXKR-IAGOWNOFSA-N 457.625 2.273 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1690113236 DODCASNKFUOOEQ-IERDGZPVSA-N 460.376 2.003 30 10 JEEE C=C(Br)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)[C@@H]1CCOC1 1690221273 QOBJQZNABHUHLJ-OAHLLOKOSA-N 470.393 2.329 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccc2OC)nnc1N1CCN(C(=O)COC)CC1 1690244304 VZBBPGJTWFBHJH-PGRDOPGGSA-N 455.559 2.230 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cc(C(C)(C)C)no2)CC1 1690410982 CEQUNZMZPRQMKV-SFHVURJKSA-N 478.619 2.347 30 10 JEEE C=CCCOCCn1c(Cc2cccnc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1690510209 WWRZMGBWNSLNPG-LJQANCHMSA-N 459.558 2.233 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 1690665884 SKBJCEMBCSHHAN-FQEVSTJZSA-N 481.988 2.151 30 10 JEEE C=CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC(=O)N(C)C[C@H]1C 1690744086 JMEOAFSIZUQDCO-QGZVFWFLSA-N 456.620 2.038 30 10 JEEE CC[C@@H](C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC1(N(C)C)CCOCC1 1694115882 GDSHVJQGXYFDEN-LJQANCHMSA-N 452.607 2.496 30 10 JEEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC[C@H](F)C1 1696689059 DMIUXNMFCDULJA-UFYCRDLUSA-N 476.578 2.257 30 10 JEEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)CCc2ccc(OC)cc2)CC1 1705538019 AVIBBYSOFPDUMV-UHFFFAOYSA-N 478.597 2.104 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CC1(CCOC)CCCC1)[C@@H]1CCS(=O)(=O)C1 1705566678 PIQKZXJIPWITMV-VQTJNVASSA-N 464.632 2.396 30 10 JEEE C#CCN(c1nnc(COc2ccccc2CC)n1CC1(C(N)=O)CCCC1)[C@@H]1CCS(=O)(=O)C1 1705568074 GRTZPQPQVOZGHB-HXUWFJFHSA-N 499.637 2.092 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H]1CCCS(=O)(=O)C1 1705589682 VGGKJRCPSKOOQB-FQEVSTJZSA-N 467.595 2.435 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(F)cc3Br)n2CCC(=O)N(C)C)CC1 1705636665 SSQLUPMFPVEGFP-UHFFFAOYSA-N 463.355 2.080 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCN(C)CCCC)CC1 1705640407 PZWSYGPZNJXGET-NRFANRHFSA-N 489.665 2.074 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@](C)(O)C2CCCCC2)CC1 1705642161 IZNCDTTZEJMLHJ-DEOSSOPVSA-N 470.643 2.356 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3ccc4ccccc43)n2CCC(=O)NC(C)C)CC1 1705650938 DGPLSOXCXQAJEU-UHFFFAOYSA-N 475.597 2.162 30 10 JEEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1705657216 XEPGDYGADBYOER-LJQANCHMSA-N 472.640 2.291 30 10 JEEE C=C(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@H](NC(=O)OCC)C1 1705724564 XYHWELMYPVVSLV-INIZCTEOSA-N 451.531 2.483 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCc2ccc(Br)cc2C1 1705900677 LYSXHLVSBZHOCG-UHFFFAOYSA-N 454.332 2.363 30 10 JEEE C[C@H](C#N)CN(C)c1nnc(COc2ccc(Br)cc2)n1CC(=O)N1CCOCC1 1706077210 HCCAXVDWEKXGQA-OAHLLOKOSA-N 477.363 2.074 30 10 JEEE CCN(CC)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)c2cc[nH]n2)CC1 1710041319 BIQVYKVUINCUQZ-UHFFFAOYSA-N 461.574 2.280 30 10 JEEE C#CCCCCn1c(Cc2cccnc2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1722319816 SFEGQJYJZBDIRP-DEOSSOPVSA-N 457.582 2.416 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CC(C)(C)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1722360907 WVPTTWPKBQAWDX-JOCHJYFZSA-N 485.654 2.245 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCN1CCOC(C)(C)C1 1722388357 UTDFMLVLGNXPBH-BGYRXZFFSA-N 470.618 2.232 30 10 JEEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1CCNC(=O)c1ccccc1F 1722417183 YNMDWXDDLFCIDL-UHFFFAOYSA-N 454.531 2.298 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccccc1C1OCCO1 1722419085 NBGVLXTVMJGYPN-UHFFFAOYSA-N 462.510 2.105 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCOC2CCOCC2)CC1 1722432786 DYLUKHHKHYAYTN-UHFFFAOYSA-N 477.407 2.377 30 10 JEEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2C[C@H]2COCCO2)CC1 1722440744 CWPRSRVFJSFHIM-NRFANRHFSA-N 453.587 2.460 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CC[C@H](OC)C(F)(F)F)CC1 1722449466 SMHXAISOSQURTN-SFHVURJKSA-N 464.492 2.197 30 10 JEEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN2CCCC[C@H]2C1 1722455603 TYRHLCSKDGHWQK-IBGZPJMESA-N 459.641 2.390 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CCCS(=O)(=O)C1 1722469167 VPPLBFHQAZTPCY-BWAGFHJFSA-N 450.605 2.136 30 10 JEEE C=CCCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1722619162 UBTKRUGZOBIGBA-LJQANCHMSA-N 480.660 2.231 30 10 JEEE C=CCCOCCn1c(Cc2ccccc2OC)nnc1N1CCc2nn(C)c(=O)cc2C1 1722628503 DBEBIWRGFBTDBE-UHFFFAOYSA-N 450.543 2.127 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 1722691990 DCNVUEZHTLDRDY-XLIONFOSSA-N 452.559 2.453 30 10 JEEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(C)(COC)CC1 1722698860 NSOXFNUGXBAYGQ-UHFFFAOYSA-N 468.606 2.007 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1722728424 VYDUGCRJBLJBSU-LJQANCHMSA-N 467.636 2.204 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC[C@@H](NC(C)=O)C1 1722728554 WXWUERFVBPSTPP-LJQANCHMSA-N 484.582 2.306 30 10 JEEE C=CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@](C)(C(=O)NC)C1 1722738013 ZDGQELJUINKVHS-QHCPKHFHSA-N 467.599 2.074 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CC[S@@](=O)C(C)(C)C 1723620711 FXPKCUXDSAWSDA-DUTUXMCTSA-N 472.615 2.413 30 10 JEEE CCOc1ncccc1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@](F)(C#N)C1 1728907013 DMTBAMLQEIFRLM-HSZRJFAPSA-N 499.572 2.479 30 10 JEEE CS(=O)(=O)N1CCC[C@@H]1Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCO[C@@H](C#N)C1 1731011405 DJNUOYPPUJWULD-CABCVRRESA-N 485.397 2.405 30 10 JEEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCNC(=O)c1ccco1 1740609578 PVZLCMTTXDBURS-UHFFFAOYSA-N 459.510 2.157 30 10 JEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc2c(c1)OCO2 1740610894 OGXXODHNCDNFHF-KRWDZBQOSA-N 455.515 2.433 30 10 JEEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1740616056 QYZMDSAIWSRCIQ-HDICACEKSA-N 499.616 2.373 30 10 JEEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CCc1ccsc1)[C@H]1CCS(=O)(=O)C1 1740616904 IRGNRGXLAMGZRI-SIKLNZKXSA-N 478.640 2.250 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1csc([C@@H](C)OC)n1)[C@@H]1CCS(=O)(=O)C1 1740623305 REFPBCBGGTUPJJ-SJLPKXTDSA-N 486.623 2.487 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCCN(CC(C)C)C1 1740635427 OCXCECXHHIWVMZ-OAQYLSRUSA-N 457.586 2.362 30 10 JEEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(Cl)c1 1740716809 AGXDETGKBHBXKF-GOSISDBHSA-N 484.047 2.267 30 10 JEEE C#CCSCCn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1740720275 ZLBHDSGPBGFHSE-OAQYLSRUSA-N 470.618 2.117 30 10 JEEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCN(c2nc(C)cc(OCC)n2)CC1 1740720857 PNIRICLGDSGVBM-UHFFFAOYSA-N 478.626 2.454 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCOCC2(CC2)C1)C(C)C 1740926590 IFGSFAHKHBFEEP-SFTDATJTSA-N 477.675 2.496 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCN(C(=O)OCC)CC1 1740964868 WZIVDACWHHRUSL-UHFFFAOYSA-N 462.938 2.091 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1740974665 HFNQKDGNUANAEQ-XOMICKMZSA-N 469.933 2.301 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@]2(O)CCSC2)C1 1740979902 GTWICORYMFVIQX-STSQHVNTSA-N 495.646 2.236 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCSC[C@@H]1C 1740988521 HQJRQNSZHTWETO-HNNXBMFYSA-N 450.586 2.259 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1740988943 UOUYTIXDOJTHRT-MRXNPFEDSA-N 460.478 2.322 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCC(CN2C[C@H](C)O[C@H](C)C2)CC1 1740991487 XPUXRTDTDUERFI-RZUBCFFCSA-N 495.690 2.446 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(OC)cc2)nnc1N1CCOC(C)(C)[C@@H]1C 1740993459 BIKQHHFIVFNJNI-KRWDZBQOSA-N 464.588 2.470 30 10 JEEE C=CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1740996978 KQTWFKISWSZIPR-OAQYLSRUSA-N 496.680 2.283 30 10 JEEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(F)cc1F 1741002338 HMBNUIYAOXVMDP-SFHVURJKSA-N 487.598 2.445 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2C[C@H]2CCCCS2(=O)=O)c1 1748692682 LEQWOANSDBEDJY-TZIWHRDSSA-N 485.610 2.196 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2ccc(CC)cc2)C1 1748751307 FHXWAFPPXUIXPQ-YADHBBJMSA-N 487.626 2.165 30 10 JEEE C#CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1CC1(C(N)=O)CCOCC1 1748776858 SNQKUKYSMVMAQV-UHFFFAOYSA-N 462.348 2.068 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1cc(Cl)ccc1OC)[C@H]1CCS(=O)(=O)C1 1748817814 QWPZEIJNPZYXNG-QAPCUYQASA-N 464.975 2.119 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@H]1CSCCS1)[C@H]1CCS(=O)(=O)C1 1748818979 IEESZUSTQGFIFM-ROUUACIJSA-N 480.656 2.483 30 10 JEEE C#CCN(c1nnc(CSc2ccc(Cl)cc2)n1CC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1748824033 HPLHJPRBSQPERS-KRWDZBQOSA-N 496.058 2.375 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2c(F)cccc2F)n1C[C@H](N1CCOCC1)C(F)(F)F 1748848475 GBTOSEYHVLWLJE-IBGZPJMESA-N 467.442 2.483 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCOC3)n2CC2CCN(C(=O)OC)CC2)n1 1748971108 CYJIJSAOBFYLGO-NRFANRHFSA-N 499.616 2.133 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@](C)(O)[C@H](C)CC)CC1 1749015853 POKNSPOITMOUAQ-NIYFSFCBSA-N 478.597 2.492 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N(C)CCS(C)(=O)=O 1749135075 CKHABVLDFDYSDW-OXQOHEQNSA-N 452.552 2.458 30 10 JEEE C=CC1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2cccc(OCC(N)=O)c2)CC1 1749330502 FHZZKHVUWKXBBQ-XMMPIXPASA-N 455.559 2.245 30 10 JEEE C=CCN(CC=C)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@]1(O)CCS(=O)(=O)C1 1749560378 LVKUVTDENGISRD-KKSFZXQISA-N 450.536 2.285 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 1749650106 JVEXIMMTQDEYBL-IBGZPJMESA-N 456.595 2.154 30 10 JEEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CC(=O)N(C)Cc1ccccc1 1760123045 XNVACNAHVPDDMW-KRWDZBQOSA-N 450.568 2.386 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCCO3)n2C[C@@]2(OC)CCOC2)c1 1760128487 JNFSFNROMLXUIJ-RDPSFJRHSA-N 453.543 2.381 30 10 JEEE C#CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1760135162 LAAFQHSYVHAABJ-SFHVURJKSA-N 492.671 2.445 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H](C)Oc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1760193019 REARFYQCJALCQM-YVWKXTFCSA-N 462.547 2.363 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc3cccnc23)n1CCN/C(O)=C1/N=CC=CC1=O 1760199684 DYPATDSVQVMDGQ-GYHWCHFESA-N 451.490 2.093 30 10 JEEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1Cc1cnn(CCOC)c1 1760206058 QAPRWBBEJUUORO-UHFFFAOYSA-N 481.601 2.357 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(C(F)(F)F)cc1 1760210840 XRSNXIORFMCXJU-HNNXBMFYSA-N 453.490 2.418 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1csc(C(C)C)n1 1760249439 LNFMKFWCKPMRLY-INIZCTEOSA-N 451.618 2.089 30 10 JEEE C=C(C)COCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](COC)C1 1760358158 RTHUGBWDCVQCST-MOPGFXCFSA-N 481.594 2.031 30 10 JEEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)N(CC)CC)CC1 1760359356 GXQDSTFPMKKSBS-UHFFFAOYSA-N 458.611 2.316 30 10 JEEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)Nc1cc(F)cc(F)c1 1760440242 FERXQAOEUJTMRI-AWEZNQCLSA-N 453.515 2.500 30 10 JEEE C=CCN(CC=C)c1nnc(COc2ccc(Cl)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1760497234 WVTDVYOMWDROIM-FQEVSTJZSA-N 452.964 2.239 30 10 JEEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](CNC(=O)Nc2ccc(C)cc2)C1 1760506536 DCEVANZERNKXEF-QZTJIDSGSA-N 475.619 2.421 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1760549166 XRCINJSYKLOLDJ-AOMKIAJQSA-N 477.562 2.017 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1760551160 VISMDBRNJBDENH-LJQANCHMSA-N 473.599 2.146 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1760553476 DGEOYHSTPMVEGI-DOTOQJQBSA-N 453.609 2.496 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1-c1cnn(C)c1 1761362391 BVVPBZBJQBZDMH-FUHWJXTLSA-N 453.572 2.367 30 10 JEEE COc1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N(CCS(C)(=O)=O)C2CC2)c(OC)n1 1768653302 FGBYGFOSLOMPKE-UHFFFAOYSA-N 482.566 2.291 30 10 JEEE CS(=O)(=O)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1771354774 HVPFHGXCRDRFTC-MOPGFXCFSA-N 459.572 2.026 30 10 JEEE COC(=O)c1ccc([C@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2CCNC(C)=O)cc1 1862706836 GULDGSSBZYOMMK-FQEVSTJZSA-N 452.463 2.196 30 10 JEEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1ccccc1[N+](=O)[O-] 1865724358 MDRKXZBUJQEKDC-KRWDZBQOSA-N 485.541 2.164 30 10 JEEE COc1ccc(NC(=O)[C@@H](CO)NC(=O)C2CCN([C@H](C#N)c3cccs3)CC2)cc1[N+](=O)[O-] 1866867546 QBUXXXDHJDILGF-SJLPKXTDSA-N 487.538 2.057 30 10 JEEE CCc1ccc(Cn2nnc(C#N)c2NC(=O)c2ccc(N3C[C@H](C(=O)O)CC3=O)cc2)cc1 1870109111 JSAMXNIFYFZRKE-GOSISDBHSA-N 458.478 2.450 30 10 JEEE CC(C)c1ccc(-n2nnc(C#N)c2NC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc1 1870155270 FAIZLMDKHOXHDI-UHFFFAOYSA-N 459.422 2.405 30 10 JEEE C#CCOc1cn(C[C@@H]2CCCO2)c(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1=O 1870560626 DYKFPABEFPILOL-QFIPXVFZSA-N 465.550 2.086 30 10 JEEE CCCCCCCCn1cc(OCC(=O)N2CCOCC2)c(=O)cc1CN1CCN(C)CC1 1870581947 KUSQNCFBVUODBO-UHFFFAOYSA-N 462.635 2.194 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCc2ccccc2OC)cn1C[C@@H](C)O 1870641750 PWKNRMORCIRFDK-LJQANCHMSA-N 455.555 2.107 30 10 JEEE C=CCn1cc(OCC(=O)NCCOC)c(=O)cc1CNc1ccc(I)cc1 1870962008 MJLOUBKOSNSFQN-UHFFFAOYSA-N 497.333 2.392 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N[C@]1(CO)CCCN(C(=O)OC(C)(C)C)C1 2060136134 WFJQUVGZMNHXDF-KSFYIVLOSA-N 454.568 2.452 30 10 JEEE C=CCC1(C(=O)NCc2c(I)cnn2C)CN(C(=O)OC(C)(C)C)C1 2069490644 CISPNAULPPXJGF-UHFFFAOYSA-N 460.316 2.454 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2247881471 YQWAHSWXXSDXOX-CYBMUJFWSA-N 458.411 2.335 30 10 JEEE Cc1cc(C(=O)N[C@H]2COC[C@@H]2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2255635637 JEDPJOBVTQYUAC-GJZGRUSLSA-N 452.382 2.378 30 10 JEEE C[C@H](CNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1)N(C)Cc1ccccc1 2255803405 NNHCLPGQHSKYMB-MRXNPFEDSA-N 465.450 2.382 30 10 JEEE CC1(C)OB(c2cncnc2C(=O)N[C@]2(C)CCN(C(=O)OCc3ccccc3)C2)OC1(C)C 2255878768 FDRJMEXFRRJGHW-XMMPIXPASA-N 466.347 2.307 30 10 JEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC(F)(F)C1(O)CN(C(=O)OC(C)(C)C)C1 2260066875 CMPQBFNOOTXLQO-CQSZACIVSA-N 461.506 2.026 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(C)[C@H](C)CCNC(=O)OC(C)(C)C 2267151886 LNYFXOZACCFYCK-CQSZACIVSA-N 450.389 2.403 30 10 JEEE C[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2267720372 AOHYLXIFCSDQRW-DGCLKSJQSA-N 482.355 2.267 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@@H](C(=O)N3CCC=C(B4OC(C)(C)C(C)(C)O4)C3)O[C@H]2C1 2279904708 GBUASJOXRRMNHW-BZSNNMDCSA-N 464.368 2.180 30 10 JEEE CC(C)(C)OC(=O)N1CC2(C[C@H](O)CN2C(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2281941387 FEJYFMORZXUTHC-INIZCTEOSA-N 458.364 2.182 30 10 JEEE Cn1nc(C(=O)N2CC3(CCC[C@H]3NC(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2281977008 JKAKGYMOVAPXLC-MRXNPFEDSA-N 460.384 2.239 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H](NC(=O)c3ncc(B4OC(C)(C)C(C)(C)O4)cn3)[C@H]2C1 2282031844 YMAQEKLZSXGBKB-BHYGNILZSA-N 458.368 2.151 30 10 JEEE Cn1cc(C(=O)N2C[C@H]3CC[C@@]3(CNC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2282059632 KZEIFRKWCFQPLL-IQMFZBJNSA-N 460.384 2.096 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](NC(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)CCO1 2282060860 CKOHZNBHTIQPGS-CVEARBPZSA-N 461.368 2.183 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCCN(S(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CC1 2282419684 XCJUIGKLBASAFX-KRWDZBQOSA-N 481.424 2.449 30 10 JEEE CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1F 2282426222 ZOILHDIICJZHPR-SJORKVTESA-N 464.343 2.489 30 10 JEEE COc1ccc(C(=O)N2CC[C@](C)(NC(=O)C(F)(F)F)C2)cc1B1OC(C)(C)C(C)(C)O1 2282525711 RTOYBSVRFCVJBM-FQEVSTJZSA-N 456.270 2.278 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H]3CN(Cc4ccccc4)C[C@@]3(C)C2)n1 2282543800 LUHBQWUQEAYGHY-CLOONOSVSA-N 450.392 2.313 30 10 JEEE Cc1nn(C)c(C(=O)N2CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2282560207 TXOSAZVRWCRTTA-GDBMZVCRSA-N 462.400 2.403 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@H]1CN(CCO)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2282642374 MRBQXAOWCZXFLR-KRWDZBQOSA-N 463.384 2.148 30 10 JEEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCN(Cc2ccccc2)C(C)(C)C1 2282700170 OGAFXQMLFIWKEP-GOSISDBHSA-N 453.396 2.287 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC[C@](C)(NC(=O)C(F)(F)F)C1 2282832031 IFOXHNBTCXAQGX-IBGZPJMESA-N 476.326 2.126 30 10 JEEE CC(C)(C)OC(=O)NC[C@@]1(C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)CCCOC1 2283976013 XNUARTPQGDOVAU-QFIPXVFZSA-N 481.424 2.380 30 10 JEEE CN(C(=O)OC(C)(C)C)[C@@H]1COC[C@H]1C(=O)NCc1ccccc1B1OC(C)(C)C(C)(C)O1 2283983148 GQTNFOKJJNZCSZ-IEBWSBKVSA-N 460.380 2.484 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H](C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1)[C@H]1CCOC1 2284041830 QALXPFZDPZXNLS-LSDHHAIUSA-N 481.424 2.236 30 10 JEEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@@]3(C(=O)O)CCN(Cc4ccccc4)C3)s2)OC1(C)C 2284400492 ALUGFRMDTSJHGV-QFIPXVFZSA-N 492.428 2.055 30 10 JEEE Cc1cnc(C(=O)N[C@@H](C(=O)O)[C@H](C)OCc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)c1 2284468675 DSQLKQYMWLLGMM-QFBILLFUSA-N 454.332 2.478 30 10 JEEE CC(C)(C)OC(=O)NCCCC[C@@H](NC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2289801476 BTLWPYFKCLHAEI-CQSZACIVSA-N 483.396 2.320 30 10 JEEE COc1cc([C@@H]2C(=C(O)c3ccco3)C(=O)C(=O)N2CCN2CCOCC2)cc(OC)c1OC 2297741474 HYKBBASKQSVSQD-HXUWFJFHSA-N 472.494 2.059 30 10 JEEE Cc1scc(C(=O)N[C@@H]2COC[C@H]2NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2320438505 APRCSOVJZRJIMQ-HUUCEWRRSA-N 452.382 2.378 30 10 JEEE C=C(CN(C)C(=O)[C@H]1[C@H](OC)[C@H](OC)CN1C(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2334388730 IXZOALHPVMXLEC-BRWVUGGUSA-N 454.373 2.282 30 10 JEEE Cc1ccc(NC(=O)[C@@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2360549958 WAWWEMKQMZZYAB-QGZVFWFLSA-N 482.408 2.171 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2N(C(=O)OC(C)(C)C)CC2(C)C)n1C 2362334554 YMIVFIZFGOXHIC-HNNXBMFYSA-N 462.400 2.403 30 10 JEEE CCN1C(=O)[C@]2(/C(=C(/O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCCN(C)C)c2ccccc21 102557409 JHCOIVSOEOQYKR-MCQUKTMOSA-N 491.544 2.352 30 10 JEEE COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(OC)cc2OC)cc1 103229260 IWBRXMLOQKAASF-FEYWKWKCSA-N 482.533 2.466 30 10 JEEE COC(=O)c1c(C)oc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(OC)c(OC)c2)c1C#N 170493482 ZWCCYQXIDXDAAV-HNNXBMFYSA-N 477.495 2.055 30 10 JEEE C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@]1(O)C(=O)COS(C)(=O)=O 206704918 RAUCKOZDNRZODA-PGOXQNFESA-N 487.014 2.149 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)NCc3ccc(NC(=O)OC)cc3)cc2C1=O 918812288 KAPJQLRBFJTYSP-UHFFFAOYSA-N 451.435 2.120 30 10 JEEE C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@H](Sc3ccc(Br)cc3)C2)C1=O 1131564234 AUHSJQDJMJDPFU-AWEZNQCLSA-N 452.330 2.119 30 10 JEEE C#Cc1cccc(NC(=O)CNC(=O)c2cn(CCOc3ccc(C=O)cc3Cl)nn2)c1 1141949141 KSSLNYODYXJTSB-UHFFFAOYSA-N 451.870 2.173 30 10 JEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCS(=O)(=O)c1ccccc1 1286376758 NNPZVIIGRGBTHR-IBGZPJMESA-N 489.598 2.130 30 10 JEEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(C)(C)SC)[C@H]1CCS(=O)(=O)C1 1286380160 APALIWBHVJVLMB-KRWDZBQOSA-N 496.680 2.117 30 10 JEEE C#CCN(C)c1nnc(COc2ccccc2OC)n1CC1(NC(=O)OC(C)(C)C)COC1 1286381442 MJUJQCHGIALALD-UHFFFAOYSA-N 457.531 2.229 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1cccnc1OCCC)[C@@H]1CCS(=O)(=O)C1 1286386849 ILWPNDFWEFMNQA-LJQANCHMSA-N 466.567 2.199 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H](C)Oc1ccccc1C)[C@H]1CCS(=O)(=O)C1 1286389806 RDIIZOLODROURX-QUCCMNQESA-N 468.583 2.081 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(Br)c[nH]2)n1Cc1cnn(CCOC)c1 1286418544 LQYRGDNJTFDWEB-UHFFFAOYSA-N 456.348 2.390 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(COc4ccccc4)o3)n2CC(=O)N(C)CC)CC1 1286474785 LVGZFCNGQHFIOK-UHFFFAOYSA-N 462.554 2.351 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccccc3Br)n2CC[C@@H]2COCCO2)CC1 1286475913 KYKKVFBOJZWQDR-QGZVFWFLSA-N 460.376 2.268 30 10 JEEE C#CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1286499844 LLHJKJLBHYBVFM-FQEVSTJZSA-N 455.584 2.148 30 10 JEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 1286505314 XDNNBSRFYUBHNY-SFHVURJKSA-N 490.992 2.351 30 10 JEEE C=C(C)COCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@]2(CCC(=O)N2)C1 1286608964 WHGVZTLUIZMZES-HOYKHHGWSA-N 490.605 2.038 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCNS(C)(=O)=O)CC1 1286664311 WAPFUUSTHIEBLB-SFHVURJKSA-N 482.651 2.344 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1c[nH]c2cccc(C)c12 1286726848 JEZGTYDQEVNCQE-IBGZPJMESA-N 458.588 2.266 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)C1CCCCC1 1286758853 WPSHZAOOWMPHLT-UGKGYDQZSA-N 467.636 2.121 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1286792232 RLEGYFHATJDLHI-HXUWFJFHSA-N 465.558 2.415 30 10 JEEE CNC(=O)CCn1c(COc2ccc(Br)cc2)nnc1N1CC[C@](F)(C#N)C1 1299261731 DGRGYQRHOQYYAC-SFHVURJKSA-N 451.300 2.198 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCC3(C2)OCCO3)c1 1300330452 AJOSIPGLVOZESU-LJQANCHMSA-N 480.569 2.016 30 10 JEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2nc3cc(C)ccc3o2)CC1 1300383483 AJSJMKQMRZVMOD-KRWDZBQOSA-N 471.587 2.078 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CC[C@@H]1CCO[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1300482222 DREUJXCEICQHBZ-YOEKFXIASA-N 494.658 2.151 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1Cc1c(CC)noc1C)[C@H]1CCS(=O)(=O)C1 1300489325 MDYNVJXQBHHFFL-SFHVURJKSA-N 469.567 2.488 30 10 JEEE C=CCn1c(S)nc2cc(C(=O)N3C[C@H]4COC[C@@]4(C(=O)OC(C)(C)C)C3)ccc2c1=O 1300550687 CUEZKAIFAICGMO-WNSKOXEYSA-N 457.552 2.302 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CCOc1cccc(C(F)(F)F)n1 1300553510 JPQDPXKJKUDYRL-UHFFFAOYSA-N 460.460 2.470 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C2CC2)ccc1F 1300630854 HUXRRYPWGOSUAR-FQEVSTJZSA-N 461.563 2.135 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2Cc2cccc(CN(C)C)c2)CC1 1300726771 QEIPLIWLTBRNDV-UHFFFAOYSA-N 471.609 2.340 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N(C)Cc1cccc(C(N)=O)c1 1301483184 JUZTYZAYDFAHIG-UHFFFAOYSA-N 486.374 2.084 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC2CCN(C(C)=O)CC2)C1 1301567125 UHPVSHNTZMALTO-LJQANCHMSA-N 472.615 2.309 30 10 JEEE C=CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H](OC)C1 1301601571 QHQUABRWUWGZQV-QGZVFWFLSA-N 451.618 2.340 30 10 JEEE CC(C)CO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1303225140 BHXSBNZFYATJKQ-CTNGQTDRSA-N 472.615 2.350 30 10 JEEE CC(C)NC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1303446439 HVUHQQYHOOHGPU-LJQANCHMSA-N 483.573 2.071 30 10 JEEE C[C@H]1CN(CCN(C)c2nnc(-c3cccc(C#N)c3)n2CCCC(=O)NC2CC2)C[C@@H](C)O1 1316502662 BNNDWTHHOJXAAM-KDURUIRLSA-N 465.602 2.421 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1C[C@@]1(O)CCS(=O)(=O)C1 1358895681 OHMULUYKOSHTLI-VGSWGCGISA-N 481.018 2.259 30 10 JEEE C#CCCCn1c(N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)nnc1[C@]1(OCC)CCOC1 1358936750 WXQSVYKKGFNRKI-JPYJTQIMSA-N 463.579 2.074 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@@H]1CC[C@H](F)C1)[C@@H]1CCS(=O)(=O)C1 1358965377 UBGVCZRGTGDTCE-SOLBZPMBSA-N 451.593 2.399 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCNC(=O)OC(C)(C)C 1359007529 MNCSLZLCENPVHS-UHFFFAOYSA-N 451.531 2.176 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@H]2CCOC[C@@H]2OC)CC1 1359031284 WOKVURCFBNFLGP-ICSRJNTNSA-N 461.513 2.353 30 10 JEEE C=C(C)COCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC[C@H](CC(N)=O)C1 1359131168 JWLFSYCEVRUQII-GOSISDBHSA-N 479.585 2.359 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)C(C)C)CC1 1359308881 BHYNRLBSUWCADB-UHFFFAOYSA-N 466.586 2.432 30 10 JEEE C[C@@H](CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1)N1CCCCC1 1360508454 CDVYSFPLGIQKTP-PZJWPPBQSA-N 493.678 2.006 30 10 JEEE COCC(C)(C)N1CCN(CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)CC1 1460274669 CBCAGLHYOWIFRX-IBGZPJMESA-N 457.619 2.399 30 10 JEEE Cc1ccc(CC(=O)N2CCN(C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC2)cc1 1478402486 AYRGDYNHLPSZIM-WOJBJXKFSA-N 455.559 2.150 30 10 JEEE CCCN1CC[C@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2cccc(C#N)c2)C1 1500938110 BSTJUDDRHMFXPU-LEWJYISDSA-N 456.616 2.420 30 10 JEEE CN(C)CCOc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CCC(C#N)CC2)cc1 1503398546 AOQRFKDXOGBGEH-UHFFFAOYSA-N 451.575 2.129 30 10 JEEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(CC(=O)N2CCN(CC)CC2)CC1 1507572763 WSXNOFSZKGOEAZ-UHFFFAOYSA-N 492.628 2.109 30 10 JEEE C#CCCCn1c(-c2ccccc2C)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1507585432 IOQFNYAPESNNNV-HXUWFJFHSA-N 457.600 2.298 30 10 JEEE C#CCN(c1nnc([C@H](C)OCCOC)n1Cc1ccc2[nH]c(C)cc2c1)[C@H]1CCS(=O)(=O)C1 1507625086 FVQUNWVJBLCSTB-RXVVDRJESA-N 485.610 2.467 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCO[C@@H]1CCCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1507637109 HIAZSOVYNYMPSL-YHINDDMVSA-N 494.658 2.224 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@H]2CSCCS2)CC1 1507732908 VHGIAOLLDGFOEA-HXUWFJFHSA-N 459.641 2.470 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1507743472 CNALGGNQCIOMEP-LJQANCHMSA-N 467.599 2.070 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1507811813 UVVTXIZSULCJMK-UTKZUKDTSA-N 457.535 2.426 30 10 JEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 1507835775 LVAFFENTRMOXSN-GOSISDBHSA-N 471.558 2.178 30 10 JEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)Cc2ccccc2C)CC1 1507846929 CBRJOLDMZLUFEY-UHFFFAOYSA-N 480.613 2.193 30 10 JEEE C=C(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C)[C@@H](OC)C1)c1ccccc1 1507850767 BAUBSTIODCMWQG-QMMLZNLJSA-N 475.615 2.186 30 10 JEEE C=CCN(CC=C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCNS(C)(=O)=O 1508022580 ZKZIUTPJKBEIRD-UHFFFAOYSA-N 468.624 2.120 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](c2ccccc2F)C1 1508142279 RVFJKGVBJXGCKJ-PXNSSMCTSA-N 464.563 2.490 30 10 JEEE CCN1CCN([C@@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2C[C@H](C)O[C@H](C)C2)CC1 1515903869 HSWBPHRNNDAFOP-PCCBWWKXSA-N 467.618 2.368 30 10 JEEE CCOc1ccc(O[C@@H](C)c2nnc(N3CCO[C@H](C#N)C3)n2CCCN2CCOC2=O)cc1 1516306602 DBAJXQBZWMIWCE-FXAWDEMLSA-N 470.530 2.388 30 10 JEEE COCCN(C)CCCn1c(CC(C)(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1519110706 AWBCKFCDTYCAFR-IBGZPJMESA-N 469.638 2.212 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCCN2CCCC2)cc1 1539017187 YHTLQSXNLRVQCR-FPOVZHCZSA-N 471.627 2.161 30 10 JEEE C#CCN(C)c1nnc(COc2ccccc2OC)n1CCCN1C(=O)NC2(CCCC2)C1=O 1539196811 YQYCFQITFMENSZ-UHFFFAOYSA-N 466.542 2.190 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H]1CCSC1(C)C)[C@@H]1CCS(=O)(=O)C1 1539224059 CIAITDNCTWVBTG-PKOBYXMFSA-N 459.641 2.422 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCCO[C@H](C)c2ccccc2)CC1 1539427317 ALTQSYOTLQBXPJ-OAQYLSRUSA-N 450.587 2.437 30 10 JEEE C#CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1539507152 RLWWRSIDNYHBTB-JKSUJKDBSA-N 464.613 2.341 30 10 JEEE C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)=C(C)C1 1539599498 GHUGEMMJNLJGRQ-HNNXBMFYSA-N 460.398 2.066 30 10 JEEE C=CCCOCCn1c(-c2ccccc2OC)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1540027210 SBCGMQUZIBNTMD-NRFANRHFSA-N 468.602 2.289 30 10 JEEE C#CC(C)(C)NC(=O)CCNS(=O)(=O)c1cc(Br)ccc1Br 1543620247 PUZPLLIFQRNPNF-UHFFFAOYSA-N 452.168 2.408 30 10 JEEE CN(c1nnc(-c2ccc(C#N)cc2)n1CCc1nccs1)C1CCN(S(C)(=O)=O)CC1 1552910669 CIBXAORAROPDAZ-UHFFFAOYSA-N 471.612 2.376 30 10 JEEE COCC1(Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CCO[C@@H](C#N)C2)CCOCC1 1555294991 DEIRANZDPMANGP-FQEVSTJZSA-N 468.558 2.319 30 10 JEEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)c(OC)c2)c1 1562026605 HLVRHABJQKLYOL-AWEZNQCLSA-N 452.554 2.054 30 10 JEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(S(C)(=O)=O)ccc1NCCOC 1566407152 BPHDLPHZQWTNKC-KRWDZBQOSA-N 453.561 2.394 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1CC1(C)COC1)[C@@H]1CCS(=O)(=O)C1 1588034515 HOUKJVWFBWPWEZ-MRXNPFEDSA-N 466.510 2.210 30 10 JEEE C#CCN(c1nnc(C2(c3ccccc3)CCC2)n1CC[S@](=O)CC)[C@@H]1CCS(=O)(=O)C1 1588034740 LEMUSHQTUOUHLH-PLTNMMHCSA-N 474.652 2.143 30 10 JEEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1589005976 AZTRCRJVHZEXJO-FQEVSTJZSA-N 486.623 2.026 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(C)cc1O[C@@H]1CCOC1 1589149954 BIKXXORCRAAIQL-MFSJNOQSSA-N 487.626 2.405 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1589570582 VPOQIAGKINOZAP-PWHSHALESA-N 458.607 2.267 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(c2ccccc2OCC)CC1 1595556728 ZRQWOLCCGKIHDM-UHFFFAOYSA-N 461.570 2.291 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(c2ccc(C)cc2)C(=O)C1 1595785029 PUTWTCJXIMVDEG-UHFFFAOYSA-N 454.556 2.036 30 10 JEEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1C[C@@H](C(=O)OC)[C@H](CNC(=O)OC(C)(C)C)C1 1595884827 USNWVBLIEACBRG-KZNAEPCWSA-N 495.646 2.451 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1CCC1(O)CCC1 1611671543 AFOJPQQNHGJOQZ-MRXNPFEDSA-N 458.588 2.234 30 10 JEEE Cc1ccc(S(=O)(=O)NC[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3C#N)C2)cc1 1621726693 BJMDMZDXLWTXNH-MRXNPFEDSA-N 451.545 2.385 30 10 JEEE Cc1nn(C)c2sc(C(=O)N[C@H](C)C(=O)N3CCN(c4ccc(C#N)cc4F)CC3)cc12 1632031213 GKGNWLVZJSEEMJ-CQSZACIVSA-N 454.531 2.421 30 10 JEEE C#CC1(O)CCN(C(=O)c2ccc(NS(=O)(=O)c3ccc4c(c3)OCCCO4)cc2)CC1 1633559056 FMPKGSBKHUETAY-UHFFFAOYSA-N 456.520 2.249 30 10 JEEE CC(C)NS(=O)(=O)c1cc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)ccc1F 1633662107 FIVHATRIMAXHJE-ZBFHGGJFSA-N 454.524 2.001 30 10 JEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)NCCN1CCC(N(C)C)CC1 1635104933 GWCXMOFVMZGRSD-UHFFFAOYSA-N 453.381 2.240 30 10 JEEE N#Cc1c(F)cccc1-n1ccc(NC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)n1 1676279305 HBABEJREDOQOTR-UHFFFAOYSA-N 454.487 2.421 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C/C=C\c1ccccc1)[C@H]1CCS(=O)(=O)C1 1689978284 RDPVZNJWYQIQKO-WUQYLLKWSA-N 476.562 2.266 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC(C)(C)c1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1689978494 WOKYORCMJYUKSD-LJQANCHMSA-N 487.626 2.029 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1689993855 MQHXLIXJRSMNER-MJGOQNOKSA-N 479.647 2.360 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2nc(C)cs2)CC1 1690152686 UVLNVTIGRYNOBS-UHFFFAOYSA-N 483.623 2.049 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(F)cc2F)CC1 1690152826 YWOABTXDEIRDKQ-UHFFFAOYSA-N 467.524 2.432 30 10 JEEE C=C(Cl)Cn1c(-c2ccccc2Br)nnc1N1CCN(CC(=O)NCCOC)CC1 1690338513 AADOLLHHBVBCEH-UHFFFAOYSA-N 497.825 2.345 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](c2nc(C)no2)C1 1690432520 FYLWBIOVYHXVHP-ROUUACIJSA-N 493.634 2.289 30 10 JEEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 1690484811 DVDWSRVVLAUZJB-QGZVFWFLSA-N 452.602 2.186 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1690667683 DIGARLWCOFBFDR-DLBZAZTESA-N 457.579 2.325 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1C[C@@H](C)S[C@H](C)C1 1690669091 UBBWPWHEDAEZOD-HZPDHXFCSA-N 467.599 2.307 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H]2CCS(=O)(=O)C2)C1 1690684182 AGRGUZLHRPUSKG-MJGOQNOKSA-N 494.017 2.078 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCCOC)C1 1690699937 LNLHUYBBCCCJMS-QZTJIDSGSA-N 451.568 2.404 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(Br)cc3)n2CC(=O)N(C)C)C1 1690712353 UIIAUZMQQPCNFC-QGZVFWFLSA-N 464.364 2.489 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N(C)Cc1cc(Cl)ccn1 1690723427 RGEFADRSMISMHD-UHFFFAOYSA-N 478.962 2.291 30 10 JEEE C[C@@]1(C#N)CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccccc2Cl)C1 1692851433 FIEGRLSNSFUHJF-RXVVDRJESA-N 479.006 2.443 30 10 JEEE C[C@@H]1COCCN1CCn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1ncnn1CC(F)F 1693865154 CBDZDJVOECSRHQ-MRXNPFEDSA-N 471.516 2.030 30 10 JEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2c(F)cccc2Cl)CC1 1705524369 KQKHXHLNPZMMLH-HNNXBMFYSA-N 496.996 2.057 30 10 JEEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1705561513 QRKJXUFIAGDDKG-GGPKGHCWSA-N 490.651 2.412 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@](C)(O)c1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 1705567408 XTKJESRVWWCZTE-PGRDOPGGSA-N 473.986 2.461 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCCSC1 1705626793 JIVGDXCBYSJEMZ-QGZVFWFLSA-N 452.584 2.421 30 10 JEEE C#CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1705661834 JWAGGPNCXHPEES-LPHOPBHVSA-N 462.597 2.170 30 10 JEEE C=CC1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2Cc2ccc(C(N)=O)nc2)CC1 1705778359 UARXDIIKQMKPEN-UHFFFAOYSA-N 495.609 2.140 30 10 JEEE C=CCN(c1nnc(-c2cc(Br)cn2C)n1CCNS(=O)(=O)CC)C1CC1 1705852015 VNTZZSCUVIFNHT-UHFFFAOYSA-N 457.398 2.140 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1705895759 REQXXQKYEBARMQ-PBHICJAKSA-N 451.474 2.089 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cccc(CS(C)(=O)=O)c2)C1 1705914300 KZDUKHBHNHBEAB-FQEVSTJZSA-N 496.593 2.300 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(OC)c3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1705920412 WZGLFFNWVYKNJY-XHEFNCKESA-N 464.526 2.261 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Br)s2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1705931026 CFDSDLAEHSQSRN-LBPRGKRZSA-N 488.433 2.037 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CC(=O)N(C)[C@H](C)C1 1705933320 CARBDRQRQNKFDU-GOSISDBHSA-N 499.593 2.385 30 10 JEEE C#CCN(CCOC)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@H]1CCCCS1(=O)=O 1722425999 UPTYQANHJMQKCP-LJQANCHMSA-N 455.584 2.404 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)(C)C)n2CC2(S(C)(=O)=O)CCC2)n1 1722427762 NJACSFXLAUTDOT-UHFFFAOYSA-N 462.620 2.026 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCc2nccs2)CC1 1722438226 UEMANPVRILEFQP-SFHVURJKSA-N 487.630 2.041 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2CCNC(=O)C(C)C)CC1 1722446377 ULSGCWSTHCHXJX-UHFFFAOYSA-N 489.580 2.338 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 1722697129 WMGXNVZRQILUNW-QGZVFWFLSA-N 455.563 2.383 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](C)CN(C)C(=O)OC(C)(C)C)C1 1722719041 PVSVTPGNCQGCFK-CEXWTWQISA-N 497.662 2.465 30 10 JEEE CC(C)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCOC2=O)[C@H](C)C1=O 1723468405 CPGZBMFFEKPUEU-LJQANCHMSA-N 495.584 2.264 30 10 JEEE C[C@H](CC(N)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CC1CN(C(=O)OC(C)(C)C)C1 1723782648 AEHVSDJVMIILOF-OAHLLOKOSA-N 453.547 2.384 30 10 JEEE Cc1nc(CCn2c(-c3cccc(C#N)c3)nnc2N2CCN(CC(=O)NC(C)C)CC2)cs1 1725451551 BFPVGTDUKSWDMN-UHFFFAOYSA-N 478.626 2.471 30 10 JEEE CCc1nn(C)c(CC)c1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CCOC)C(=O)C1 1727477286 HZVWNPUEGBTGKB-UHFFFAOYSA-N 476.585 2.018 30 10 JEEE C#CCN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCS(=O)(=O)N1CCSCC1 1740599633 DHHGWTPPBFDYBD-IBGZPJMESA-N 477.656 2.483 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccccc1OC1CCCC1)[C@@H]1CCS(=O)(=O)C1 1740616373 ZZBYIQGRULTNNI-HXUWFJFHSA-N 499.637 2.413 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)ccc3C)n2CCN2CCOC[C@@H]2C)CC1 1740707788 POXUJHLOFAMYPK-QFIPXVFZSA-N 494.640 2.160 30 10 JEEE C=C(C)COCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCN(C(=O)NC)CC1 1740788329 RRHNNBTVPRPCNQ-UHFFFAOYSA-N 450.547 2.389 30 10 JEEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2cccc(OC(F)F)c2)C1 1740942905 RHANSHQHUOCIPO-BBRMVZONSA-N 457.503 2.254 30 10 JEEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC2(CCN(C)C2=O)CC1 1740950357 HPPCADJYEOJSAF-QGZVFWFLSA-N 460.579 2.221 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1740994103 MOZPUVAMXQPVQW-HLAWJBBLSA-N 471.583 2.191 30 10 JEEE Cc1cccc(CCCn2c(C(=O)NC(C)C)nnc2N2CCN(c3ccc(C#N)cn3)CC2)n1 1742338886 AYDKDUYVEDEZOH-UHFFFAOYSA-N 473.585 2.346 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN(CCC)C(=O)OC(C)(C)C 1748672021 PJDZYANQFCQNCQ-IRXDYDNUSA-N 453.609 2.285 30 10 JEEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(OCC(F)(F)F)nc1 1748841844 APVMXHCJEFEDFG-UHFFFAOYSA-N 472.427 2.463 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccc(Br)cc2)n1CCS(=O)(=O)CC 1748855608 DYBLMNRMIOGEFM-UHFFFAOYSA-N 465.373 2.127 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](CNC(=O)Nc2ccc(C)cc2)C1 1749650363 UHUDOFLCZAAQHG-IBGZPJMESA-N 496.616 2.065 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H](C)N2CCOCC2)C1 1749701796 YSWDBWRRUCGPMT-QUCCMNQESA-N 457.575 2.464 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1749738616 RWKUJEURPCHVTG-SFTDATJTSA-N 460.600 2.048 30 10 JEEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1CCCN1CCOCC1)[C@H]1CCS(=O)(=O)C1 1760181537 XAYIOTQOGVMJBD-XZOQPEGZSA-N 485.654 2.169 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CC(=O)NC1CCCCC1)[C@H]1CCS(=O)(=O)C1 1760183429 OXPOFXVZSUAPMM-SFHVURJKSA-N 491.017 2.069 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H]1CCCCN1CCC)[C@H]1CCS(=O)(=O)C1 1760183677 CRSZBYVSIMFTCY-PMACEKPBSA-N 458.632 2.175 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1Cc1nnc(CC)s1)[C@@H]1CCS(=O)(=O)C1 1760191763 MWMZOQVILLCAAS-QGZVFWFLSA-N 486.623 2.254 30 10 JEEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc2c(c1)C(=O)NCC2 1760235680 UFFIIHTZUHPUHH-OAQYLSRUSA-N 494.596 2.380 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CC2(OC)CCC(C)CC2)CC1 1760268788 OYMZCWVPGVUEDP-UHFFFAOYSA-N 451.575 2.296 30 10 JEEE CNC(=O)C(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1769088834 FYYBDDGBSYBYKI-UHFFFAOYSA-N 499.019 2.138 30 10 JEEE CS(=O)(=O)CC[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1C(=O)c2ccccc2C1=O 1865988844 OTYNKKFORHLNDR-MRXNPFEDSA-N 457.533 2.146 30 10 JEEE C=CCOc1cn(CCN2CCOCC2)c(CN2CCN(c3ccccc3F)CC2)cc1=O 1870386105 ADWGIUDLVQIEKN-UHFFFAOYSA-N 456.562 2.207 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NC[C@@H]2CCCO2)cn1Cc1ccc(O)cc1 1870547387 YGMRASFULUYOHA-QHCPKHFHSA-N 467.566 2.450 30 10 JEEE CN1CCN(CC#CCOC2CCN(C(=O)c3cc([N+](=O)[O-])ccc3Br)CC2)CC1 1891264317 BWRJMNDXADHDPY-UHFFFAOYSA-N 479.375 2.229 30 10 JEEE N#Cc1ccnc(OC[C@@H]2CCCN(S(=O)(=O)c3cc4c5c(c3)CCN5C(=O)CC4)C2)c1 1891649273 BSDAMTICTFUOER-QGZVFWFLSA-N 452.536 2.268 30 10 JEEE C[C@H](C#N)OCCS(=O)(=O)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1990652729 DHUPXXWQZNEPMP-VFNWGFHPSA-N 472.519 2.322 30 10 JEEE N#Cc1c(-n2cnc(I)c2I)nnc2c1CCC2 2065340954 BFNGCMHKZYPPNJ-UHFFFAOYSA-N 463.020 2.232 30 10 JEEE C#CCN(c1ncc(I)cc1Br)[C@H]1CCS(=O)(=O)C1 2133380780 YOUFMXBVWGEEKF-JTQLQIEISA-N 455.115 2.075 30 10 JEEE CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCN1c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2241048936 ILHYKDVJVBWYGT-KRWDZBQOSA-N 461.368 2.370 30 10 JEEE CC(C)(C)OC(=O)N1CCC(C)(C)[C@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2256677717 YUTQRESXOOLYPP-GFCCVEGCSA-N 452.386 2.233 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](CNC(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C[C@H]1O 2266996162 FZPQZEWFYCVILS-KBRIMQKVSA-N 466.409 2.441 30 10 JEEE CC1(C)OB(c2cc(F)cc(F)c2S(=O)(=O)NCCNOCc2ccccc2)OC1(C)C 2267721329 FMFFOLWKQMDCSO-UHFFFAOYSA-N 468.331 2.264 30 10 JEEE CC1(C)OB(c2n[nH]cc2C(=O)Nc2cccc3c2CCN3C(=O)C(F)(F)F)OC1(C)C 2281923460 GWSZWYGXVUVAPT-UHFFFAOYSA-N 450.226 2.413 30 10 JEEE CN(C[C@H]1CCCN(Cc2ccccc2)C1)C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2281952740 AGONFELTRMXVDB-LJQANCHMSA-N 453.396 2.099 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H]([S@@](C)(=O)=NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2282013529 AQDXQPLCQIJDFG-RQOHWKINSA-N 480.396 2.023 30 10 JEEE CCc1nc(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)c(B2OC(C)(C)C(C)(C)O2)s1 2282030110 ANIJBHPHXGFUKZ-CQSZACIVSA-N 481.424 2.370 30 10 JEEE C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CN(C(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)CCO1 2282061603 MYBRXXIUESPTCK-CRAIPNDOSA-N 461.368 2.135 30 10 JEEE Cc1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H](O)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2282103810 SRYHRUKXCUTQAX-QGZVFWFLSA-N 460.380 2.348 30 10 JEEE C[C@H](NC(=O)c1cc(F)ccc1B1OC(C)(C)C(C)(C)O1)C1(O)CN(C(=O)OC(C)(C)C)C1 2282131536 VFIOFWHVIXLTKB-AWEZNQCLSA-N 464.343 2.225 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)NC1(CCO)CN(C(=O)OC(C)(C)C)C1 2282135167 ARXSHAWNWDBXQM-UHFFFAOYSA-N 460.380 2.396 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CCN2S(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282416983 DKOCSUQKLMJODX-CRAIPNDOSA-N 479.408 2.011 30 10 JEEE CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2282473816 QGFKVYLFUKBRBC-ROUUACIJSA-N 464.343 2.489 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@@]2(CNC(=O)c2occc2B2OC(C)(C)C(C)(C)O2)C1 2282555078 NLBBYMVZFRIQGR-WNSKOXEYSA-N 462.352 2.335 30 10 JEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1CO 2282558916 FXPIOCVUWKJLRL-RDJZCZTQSA-N 464.368 2.235 30 10 JEEE CN(C)CCCN(CCNC(=O)OC(C)(C)C)C(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2282600326 UXGPFOSOFVZEBD-UHFFFAOYSA-N 482.456 2.361 30 10 JEEE Cc1cccc(C(=O)N2C[C@H](O)C[C@@H](NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2282643582 CLLAARRILVGAKW-IAGOWNOFSA-N 460.380 2.394 30 10 JEEE CN(C[C@@H]1COCCN1C(=O)OC(C)(C)C)C(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282674525 LRVCKICGZOLPNW-GOSISDBHSA-N 461.368 2.089 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2CN(S(=O)(=O)c3ccccc3B3OC(C)(C)C(C)(C)O3)C[C@H]2C1 2282865969 BFPGVTGURIDFHB-CALCHBBNSA-N 478.420 2.473 30 10 JEEE C[C@H]1C[C@@H](NC(=O)C(F)(F)F)CCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1O 2282977594 DCJPDGXBFAJDCD-JSGCOSHPSA-N 456.270 2.363 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N1CC[C@H](NC(=O)C(F)(F)F)[C@H](C)C1 2285206619 PSELGRBCGNKKFJ-HIFRSBDPSA-N 455.286 2.218 30 10 JEEE C[C@@H](O)CN(CCNC(=O)OC(C)(C)C)C(=O)c1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2285349077 BJLPXJGCBMUALQ-OAHLLOKOSA-N 466.359 2.473 30 10 JEEE COC(=O)[C@H](CS(=O)(=O)Nc1ccc(Cl)cc1C#N)NC(=O)OCc1ccccc1 2286030683 DIRJYJOXMYKCKE-KRWDZBQOSA-N 451.888 2.421 30 10 JEEE COc1cc(C(=O)N2CCC(NC(=O)C(F)(F)F)CC2)ccc1B1OC(C)(C)C(C)(C)O1 2286122527 YKKGZIAWITXZLY-UHFFFAOYSA-N 456.270 2.278 30 10 JEEE CCCCCCCCO[C@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 2294265264 RNGLREVZONTJLS-TWGBQZSLSA-N 460.520 2.447 30 10 JEEE COC(=O)c1[nH]c(C)c(C(O)=C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccs2)c1C 2296116274 XGHRTHYPISCHEA-LJQANCHMSA-N 473.551 2.234 30 10 JEEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1 2301492841 AEXQXZBVUWCUPJ-HXUWFJFHSA-N 451.633 2.428 30 10 JEEE COc1ccc(NC(=O)[C@@H](CNC(=O)OC(C)(C)C)OC)cc1B1OC(C)(C)C(C)(C)O1 2339735149 FTSAXTYNHRPWBV-QGZVFWFLSA-N 450.341 2.473 30 10 JEEE CS[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nc(C)n1C 2362480590 KRAZWRQAMOIMLF-LSDHHAIUSA-N 480.440 2.108 30 10 JEEE CC(C)(C)OC(=O)NC[C@]12C[C@H](CCN1C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)C2 2366381960 LKKNIXIVONMQFV-GUJKFWMDSA-N 458.368 2.295 30 10 JEEE COc1cc(/C=N/Nc2nnc(SCc3nnc(C(C)(C)C)o3)n2N)cc(OC)c1OC 20920378 KHXCVZUKQVJIKZ-ZVBGSRNCSA-N 462.536 2.437 30 10 JEEE COc1ccc(CNC(=O)CSc2nnc(N/N=C(\C)c3cccc(OC)c3)n2N)cc1 21326142 INXIZRNGSWQSAI-ZVHZXABRSA-N 455.544 2.254 30 10 JEEE CC(C)CSc1nnc(NC(=O)CSc2n[nH]c(N/N=C/c3cnn(C)c3)n2)s1 59310928 JQUDNPAQPXJAAY-AYSLTRBKSA-N 452.595 2.315 30 10 JEEE C=CCn1nc(C)c(/C=N/Nc2nc(SCC(=O)N(CC)Cc3nnc(CC)o3)n[nH]2)c1C 59831491 BPJCLDBGBCHKMH-UFFVCSGVSA-N 472.579 2.336 30 10 JEEE COc1ccc(CN2CCN(C(=O)CN3CCN(c4ccc(C#N)cc4F)CC3)CC2)cc1 110304371 DTGAMTSSFAKSRR-UHFFFAOYSA-N 451.546 2.172 30 10 JEEE CC(=O)O[C@@H]1[C@H](c2ccc(=O)oc2)[C@@]2(C)CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34C=O)[C@]23O[C@H]13 255262189 RDQNOOHJEOAAIW-FSVQXUKKSA-N 472.534 2.094 30 10 JEEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2cc(F)c(F)c(F)c2)c(=O)n1Cc1ccccc1 609074944 UJFADOKJKVBDDF-UHFFFAOYSA-N 457.477 2.403 30 10 JEEE C=CCNC(=O)CN1CCN(CC(=O)c2cc(C)n(C[C@H]3COc4ccccc4O3)c2C)CC1 680938562 XHWWXKCIFUMORU-NRFANRHFSA-N 466.582 2.047 30 10 JEEE C#CCN(C(=O)c1cccc(S(=O)(=O)N(C)c2cccc(Cl)c2)c1)[C@H]1CCS(=O)(=O)C1 729331688 RSISZMNFCNSMML-IBGZPJMESA-N 480.995 2.428 30 10 JEEE CCCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1cc(C)ccc1F 729669921 WNSXQMATKIYMRS-UHFFFAOYSA-N 461.522 2.024 30 10 JEEE O=C(CSc1n[nH]c(NN=Cc2c[nH]c3ccccc23)n1)Nc1ccc2c(c1)C(=O)NC2=O 1083900730 VISVKHUEZDKVFH-UHFFFAOYSA-N 460.479 2.346 30 10 JEEE C=CCNC(=O)[C@H](C)Sc1n[nH]c(NN=Cc2ccc(OC)c(OCn3cccn3)c2)n1 1084076949 SYINBXFKOLBPQT-AWEZNQCLSA-N 456.532 2.275 30 10 JEEE C#CC[C@H](CCOC)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 1131709438 QTZQAZJDLLZOMH-NVXWUHKLSA-N 457.390 2.394 30 10 JEEE C#CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)OC)CC1 1286322610 GDZOLIYTCXMXPA-GOSISDBHSA-N 476.578 2.278 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@H]1CCN(CCC)C1)[C@@H]1CCS(=O)(=O)C1 1286390709 FERHAKOYHDROEK-VQTJNVASSA-N 461.657 2.289 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@](C)(O)CCC(C)C)[C@H]1CCS(=O)(=O)C1 1286391435 DKLWNJAZHHBLMB-REWPJTCUSA-N 459.616 2.078 30 10 JEEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1c(C)nn(-c2ccccc2)c1C 1286451669 MWMJFNWLLIWSGC-QGZVFWFLSA-N 455.588 2.199 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2ccc(Cl)s2)C1 1286592468 GVPQYKXLAVZVCZ-CABCVRRESA-N 488.035 2.480 30 10 JEEE C=C(C)COCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1286607101 KXHZORNJZRNBPE-HXUWFJFHSA-N 456.572 2.347 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCS(=O)(=O)C1 1286740785 WTZHULCNSJXWPV-SFHVURJKSA-N 456.572 2.315 30 10 JEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2ccccc2Cl)C1 1286776296 QHUMYBDJSYQSAA-QZTJIDSGSA-N 467.979 2.028 30 10 JEEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCc2c(cccc2OC)C1 1286791282 XLLLMBNHMKGCEM-UHFFFAOYSA-N 466.567 2.143 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2c(F)cccc2N2CCCC2)C1 1286801109 WEWLQBBZEDDVKA-ROUUACIJSA-N 492.621 2.457 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1286816200 CQNNEXWZJHBDJH-RBUKOAKNSA-N 496.655 2.259 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N(C)Cc1ccc(OC)cc1 1286819538 NJVQWDVFVJMJGO-UHFFFAOYSA-N 473.555 2.252 30 10 JEEE Cc1nnc(Cn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N(C)[C@@H](C)CC#N)s1 1290695297 CVFPAOWWZWSZRA-ZDUSSCGKSA-N 460.589 2.142 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1cscc1C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1300492565 NNQPIJFLPGRGJB-HNNXBMFYSA-N 484.529 2.434 30 10 JEEE COc1ccccc1OCc1nnc(N2CCC[C@@](C)(C#N)C2)n1CCNC(=O)c1cc[nH]n1 1300645938 DBNZYIIPUUWJNE-QHCPKHFHSA-N 464.530 2.149 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCN2CCOC[C@@H]2C)CC1 1300688530 HMHSJLYJCCGZEA-SFHVURJKSA-N 460.529 2.022 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@](C)(O)c2cccs2)CC1 1300722476 KDIJUKGGIFMBKT-WZONZLPQSA-N 457.600 2.455 30 10 JEEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C2CCC2)CC1 1300743151 HQPGLVZMKMDZRI-UHFFFAOYSA-N 459.641 2.390 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCOCCCO 1300800972 DZZRHYXRVAOJMO-XMMPIXPASA-N 450.543 2.066 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCCCS(C)(=O)=O 1300801042 GMXDTASGJLAYDK-XMMPIXPASA-N 482.610 2.399 30 10 JEEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1300975072 QXKCDRUPMGQANY-NRFANRHFSA-N 489.642 2.242 30 10 JEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C)cc2OCCOC)CC1 1301065415 DXLIKEOPJMGVTI-SFHVURJKSA-N 463.604 2.427 30 10 JEEE C=CCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1301145757 GGFVKWQRMIDPGW-RXVVDRJESA-N 454.623 2.270 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N(C)[C@H](C)CS(=O)(=O)CC 1301491366 HQBKBUYPKMMCBG-MRXNPFEDSA-N 456.572 2.055 30 10 JEEE C=CCNC(=O)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC[C@](C)(OC)CC1 1301509093 ABFWFVBCGPQKKJ-MHZLTWQESA-N 495.672 2.340 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCCC1(C)C 1301575399 GBTRDGQTIMTSTA-UHFFFAOYSA-N 452.602 2.328 30 10 JEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 1301611752 HBXNGEGUZDTKHZ-IAGOWNOFSA-N 485.676 2.450 30 10 JEEE N#Cc1ccc(N2CCN(C(=O)c3ccc(F)c(S(=O)(=O)N4CCCCC4)c3)CC2)cn1 1303333128 GBSSXNFGAKMTAQ-UHFFFAOYSA-N 457.531 2.229 30 10 JEEE Cc1cc(C)n([C@H]2CCCN(c3nnc(-c4cccc(C#N)c4)n3CCNS(C)(=O)=O)C2)n1 1304733096 HSUCQTJPDUUYMZ-FQEVSTJZSA-N 468.587 2.021 30 10 JEEE CCN(CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(C#N)C1)C(=O)OC(C)(C)C 1313801583 HLJVBJVTCQKFEV-HRAATJIYSA-N 483.639 2.275 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)C(=O)CCS(=O)(=O)c2ccc3c(c2)OCCCO3)c1 1356026197 IOSAOYSBPQHNOC-UHFFFAOYSA-N 456.520 2.090 30 10 JEEE C#CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1358927080 MOHUIOUGWOWSNN-IBGZPJMESA-N 492.605 2.276 30 10 JEEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1ncnn1C(C)(C)C 1358951539 BFRANGFBEQDHJF-UHFFFAOYSA-N 461.618 2.107 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1ccc(N(CC)CC)nc1)[C@H]1CCS(=O)(=O)C1 1358960526 GRHLYKUOCBXTPY-FQEVSTJZSA-N 479.610 2.256 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H](c1ccc(C)o1)N1CCOCC1 1358985753 GRFPQHWUKZQBJH-BKMJKUGQSA-N 481.597 2.368 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)c1ccc(OC)cc1 1358993981 BAVHMNOOYBWKEL-JOCHJYFZSA-N 499.637 2.060 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccc(C(N)=O)cc1 1359027659 QQIQNYULTJIWIJ-BGYRXZFFSA-N 482.585 2.282 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](CC)c2ccccc2)CC1 1359040850 HWOOZWAJQRLKNA-RTBURBONSA-N 486.642 2.048 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H]2CCCOC2)CC1 1359042671 PELZXYWXOJGVPK-SFHVURJKSA-N 467.570 2.355 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(C)(C)C)CC1 1359099772 SUWLHCTVVDLLBO-QYZOEREBSA-N 451.637 2.082 30 10 JEEE C=C(C)Cn1c(N2CCC(CNC(=O)c3cnn(C)c3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1359125313 YCUUGXSELRLXFZ-XMMPIXPASA-N 471.606 2.275 30 10 JEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1coc(-c2ccc(C)cc2)n1 1359240395 MZKJOCAQDZAVBV-LJQANCHMSA-N 472.571 2.245 30 10 JEEE C=CCN(c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCOC[C@H]1OC)C1CC1 1359248001 XBKRELUFUFFKLU-WIYYLYMNSA-N 475.615 2.402 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c(C2CC2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1)C(C)C 1359265868 NLABHDDZUQWMJZ-JOCHJYFZSA-N 483.661 2.125 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(C(=O)C(C)C)CC1 1359294283 PMBVFADGNLZAHC-UHFFFAOYSA-N 462.501 2.153 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1C[C@H](C(=O)NCCCC)CC[C@@H]1C 1359298798 MLLXMDDVEWHIFD-RBUKOAKNSA-N 453.591 2.472 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CC(=O)N(C)C[C@H]1C 1359304282 TVVOZWJFMAXVJL-GOSISDBHSA-N 454.575 2.258 30 10 JEEE C=CCSCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1359345323 BKLUUWKAFRVKGG-UHFFFAOYSA-N 465.645 2.475 30 10 JEEE CC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCN(C(C)C)CC2)C1 1359416303 BZJYJSKFJVBXGG-JOCHJYFZSA-N 465.602 2.157 30 10 JEEE CC(C)OCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1360397005 CXTCFHKFSGDRRJ-IBGZPJMESA-N 460.604 2.350 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1ccccc1CN1CCCC1=O 1360692854 AOHJYKXEKQZFNG-HOYKHHGWSA-N 499.641 2.189 30 10 JEEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)C(C)(C)C)C[C@@]2(CCOC2)O1 1494252432 HZMVKPOGQAYWAT-BXKMTCNYSA-N 452.559 2.363 30 10 JEEE CC[C@@H](C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC1CCS(=O)(=O)CC1 1495731993 AHEOKQWOFOQKQG-QGZVFWFLSA-N 457.604 2.210 30 10 JEEE CC[C@@H](C)NC(=O)CCn1c(-c2cnccn2)nnc1N1CCN(c2ccccc2C#N)CC1 1496248259 HLDDHNGLAIQBOH-GOSISDBHSA-N 459.558 2.238 30 10 JEEE COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@@H]2CCO[C@@H](C)C2)CC1 1504530374 CUXCVDVBDDAEHF-RBUKOAKNSA-N 452.559 2.317 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1-n1nc(C)cc1C 1507518598 VTDZJSHRRGRNLW-WMZOPIPTSA-N 455.588 2.197 30 10 JEEE C#CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CC1(C(N)=O)CCOCC1 1507611303 OSWPCGPKFFIVBF-UHFFFAOYSA-N 462.348 2.068 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CC(=C)Cl)CC1 1507738657 UJIATMLNYVRXEI-UHFFFAOYSA-N 451.918 2.312 30 10 JEEE C=C(Br)Cn1c(COc2ccc(OC)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1507790339 GDJSOSXPJLCKKR-SFHVURJKSA-N 480.363 2.116 30 10 JEEE C=C(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1507824768 IYSFHZWFRGDLSJ-UHFFFAOYSA-N 465.576 2.019 30 10 JEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1cccc(C)n1)C1CC1 1507992835 JJZCPCKEGRHXLE-HXUWFJFHSA-N 460.604 2.102 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1508136926 JCJHCAGLKREETA-QZTJIDSGSA-N 463.991 2.447 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(N2CCCC2)CCOCC1 1538982973 MLHVEYYXXSPZDL-IBGZPJMESA-N 471.627 2.452 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC(C)(C)C(=O)NCC 1539025142 DYTLZZOSJINFAL-OAQYLSRUSA-N 465.646 2.263 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1Cc1nccn1C(F)F)[C@H]1CCS(=O)(=O)C1 1539206409 OQFZXUQTQWPALE-INIZCTEOSA-N 476.509 2.220 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCc1nccc(C(F)(F)F)n1 1539258336 VGJQCSVJZTWXKO-UHFFFAOYSA-N 492.465 2.316 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCc1nccs1 1539408856 FTXPGOJKLPFUGO-UHFFFAOYSA-N 463.567 2.367 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3noc4c3COCC4)n2C[C@@H](C(CC)CC)N(C)C)CC1 1539477252 KPZMLCSDELPPBT-NRFANRHFSA-N 497.644 2.338 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCCc2ccc(OC)c(OC)c2)CC1 1539477256 KRHRHZPMVQMCKO-UHFFFAOYSA-N 491.596 2.294 30 10 JEEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1539520887 VGXQVBYGSVLYIA-SZPZYZBQSA-N 495.697 2.257 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 1539613165 WGZMBLAOXJQVMT-NRJQMVOHSA-N 485.585 2.468 30 10 JEEE C=C(C)COCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCN(C(=O)COC)CC1 1539743020 RRMAHEAQSGLDFC-UHFFFAOYSA-N 465.558 2.019 30 10 JEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCN2CCCCCC2=O)CC1 1539873841 FGECRPTWKRFARB-KRWDZBQOSA-N 452.625 2.083 30 10 JEEE C=CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C(=O)NC)C1)c1ccccc1 1539939581 ISOYCQDXGBJQQV-DFQSSKMNSA-N 474.631 2.211 30 10 JEEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C(=O)c2ccsc2)CC1 1540873558 BTEMQOVOQHYBNY-UHFFFAOYSA-N 494.621 2.398 30 10 JEEE CNC(=O)[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@H]1C1CCN(C(=O)COCCOC)CC1 1548397323 JKIOQUXFJXXRLQ-VQTJNVASSA-N 496.530 2.277 30 10 JEEE Cn1nnc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(CC(F)(F)F)CC2)n1 1554367048 FZLUXHXBLLZKAP-UHFFFAOYSA-N 461.452 2.469 30 10 JEEE CS(=O)(=O)c1cccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCOc2ncccc2F)c1 1555792610 FMVJIDJIVCCUGI-OAQYLSRUSA-N 474.493 2.404 30 10 JEEE COC(=O)C(C)(C)c1csc(NC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)n1 1569524798 FYKWOYHKAZGQBS-NSHDSACASA-N 450.542 2.050 30 10 JEEE C#CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1587769568 JOVPKMCTXBXSAN-FHWLQOOXSA-N 472.590 2.105 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@](C)(OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1588064456 IKBXWNQQOFKCLO-NQIIRXRSSA-N 463.629 2.076 30 10 JEEE C#CCN(c1nnc(COCC)n1C[C@H](C)Oc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1588074233 LHABQRZNISIHDW-FUHWJXTLSA-N 450.536 2.048 30 10 JEEE C#CCN(CC)c1nnc(-c2cc(OC)ccc2Br)n1C[C@H]1CCN(S(C)(=O)=O)C1 1588280700 QYYWCUJPCPAJFS-HNNXBMFYSA-N 496.431 2.457 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(Br)s2)n1C[C@@H]1CC[C@H](CO)O1 1588595269 QROUGHGTXUYRAN-UONOGXRCSA-N 455.378 2.395 30 10 JEEE C#CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1CC1CCN(C(=O)OC)CC1 1588672926 IKTGPCWXOSAPOJ-UHFFFAOYSA-N 465.558 2.081 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](CC)Oc2ccccc2F)CC1 1588884786 NFPZRVDBCDIFTE-LJQANCHMSA-N 484.576 2.379 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC2CC(F)(F)C2)CC1 1588891538 QPNZWUHOTYELNC-JOCHJYFZSA-N 465.545 2.330 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1589496234 WTVTVQXEVZNVDN-VJANTYMQSA-N 451.568 2.260 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)C[C@H]1CC 1589547571 VBGGYJZSPJWHPD-MDMHHNQBSA-N 467.636 2.217 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](O)(c2ccccc2F)C1 1593746669 KQCLKEPZGUKHKZ-VGSWGCGISA-N 464.563 2.010 30 10 JEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCN(CC(F)(F)F)C2)CC1 1594192002 BTRXSGLJLAMMHW-HOCLYGCPSA-N 464.558 2.175 30 10 JEEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1594448938 QMFQBKAVEBABBP-UHFFFAOYSA-N 463.546 2.114 30 10 JEEE C=CCC(C)(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1594455569 RWYHPGMACQYSOH-IRXDYDNUSA-N 470.549 2.307 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCN(C(C)=O)C[C@@H]1C 1595506819 NMUMAANOJIJSAO-ZDUSSCGKSA-N 479.354 2.206 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1595537509 RZZOPYDFEGPPRT-HOTGVXAUSA-N 472.571 2.160 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCN(C(=O)C(C)C)CC2)cc1 1595614445 UDKKECXPXRBTLD-HXUWFJFHSA-N 487.626 2.098 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1595812493 VWQKWNXNZKQJMS-MJGOQNOKSA-N 490.630 2.214 30 10 JEEE CC(C)NS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(c2ccccc2C#N)CC1 1610304438 CQHSQNLZWRJQFB-OAQYLSRUSA-N 487.630 2.046 30 10 JEEE CCOc1ccc(O[C@@H](C)c2nnc(N3CCO[C@H](C#N)C3)n2CCC2(O)CCOCC2)cc1 1616415896 CYMSZVBPBYUGFR-GHTZIAJQSA-N 471.558 2.477 30 10 JEEE CN(CCN1CCOC(C)(C)C1)c1nnc(-c2cccc(C#N)c2)n1CC1([S@](C)=O)CC1 1618296846 FYRLSDOKFMIZDK-YTTGMZPUSA-N 456.616 2.275 30 10 JEEE COC1CCN(C2(Cn3c([C@H](C)NS(C)(=O)=O)nnc3N3CCC(C#N)CC3)CCCC2)CC1 1619507349 FGDAJMSCVCLIIU-SFHVURJKSA-N 493.678 2.052 30 10 JEEE C#CCC[C@@H](O)CNC(=O)NC[C@H]1CCCN1Cc1ccc(I)cc1 1682015069 YUEYHACDEUODRQ-QZTJIDSGSA-N 455.340 2.329 30 10 JEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1c(CC)nn(C)c1CC 1689950936 GXPNMYICXIHBGL-UHFFFAOYSA-N 469.615 2.171 30 10 JEEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN(C)C(=O)OC(C)(C)C 1689961475 ZGMOZDZZYZKPSL-UHFFFAOYSA-N 451.531 2.128 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1CC(C)(C)c1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1689991309 ZNLCYEPXHUFICT-ICSRJNTNSA-N 472.611 2.395 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1Cc1ccc(N(C)C)nc1)[C@H]1CCS(=O)(=O)C1 1689994303 VWVFWYIHPLQACH-IBGZPJMESA-N 470.624 2.066 30 10 JEEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 1689996764 NYHJOAXGEHCKMT-QZTJIDSGSA-N 473.624 2.253 30 10 JEEE C#CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H](C)SC)[C@@H]1CCS(=O)(=O)C1 1689998844 YMXMFECOCGHLFG-WNRNVDISSA-N 497.687 2.427 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1CCN(C)CC(F)(F)F 1690103827 HLSXAUJLYIGEAA-SFHVURJKSA-N 453.465 2.371 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCNC(=O)C2CC2)CC1 1690139580 SLSUPWOSZYAVAU-UHFFFAOYSA-N 472.952 2.230 30 10 JEEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1690299177 IOEKBTVRQIVVSO-NRFANRHFSA-N 482.633 2.123 30 10 JEEE C=C(C)COCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(S(C)(=O)=O)CC1 1690313017 JKVRYVMQBZRTJX-HXUWFJFHSA-N 462.572 2.397 30 10 JEEE C=C1CCN(c2nnc(CCN3CCN(c4ccccc4)CC3)n2CCS(=O)(=O)CC)CC1 1690380420 NTCXUJFNLUALOR-UHFFFAOYSA-N 472.659 2.234 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCC(F)(F)C2)CC1 1690411183 HEDJUXDTMRUQBI-IRXDYDNUSA-N 459.563 2.449 30 10 JEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 1690464846 LYEIXPNETNXOBN-FQEVSTJZSA-N 490.586 2.438 30 10 JEEE C=CCn1c(COc2ccc(Cl)cc2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1690651375 OYNJLNRMQZRIKY-UHFFFAOYSA-N 492.005 2.249 30 10 JEEE C=CCn1c(COc2ccccc2OCC)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1690652340 DXTSEKGZBMDILP-IBGZPJMESA-N 491.614 2.073 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 1690675715 CJYZBQDWECLVCK-FXAWDEMLSA-N 495.584 2.380 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@]2(CNC(=O)C2)C1 1690715524 NPIOJAXHRPDPSB-CYFREDJKSA-N 487.626 2.352 30 10 JEEE CCN(CC)[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1695661607 GLDAHUDTBFWGPC-WOJBJXKFSA-N 478.645 2.336 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1cc(F)cc(OC)c1)[C@H]1CCS(=O)(=O)C1 1705563720 DEJXSHDNAWSXOO-SFHVURJKSA-N 455.515 2.163 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1CCc1ccccc1OC)[C@@H]1CCS(=O)(=O)C1 1705565030 RLSKFKBPQZJCGM-HXUWFJFHSA-N 451.552 2.218 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CCc1c(F)cccc1F)[C@H]1CCS(=O)(=O)C1 1705568946 BBRHXJIEYHDKGA-SFHVURJKSA-N 471.533 2.412 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@]1(O)CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1705569645 FLYJKBFEQRRKQW-GEQKSPFYSA-N 460.575 2.186 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccco1)N1CCCCC1 1705583211 SFZIYFRXCDDXBS-VQTJNVASSA-N 455.584 2.073 30 10 JEEE C#CCN(CC)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1705607550 HVVMFLICBKKSGV-RTWAWAEBSA-N 452.584 2.480 30 10 JEEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1705663014 SRYYWSCWQNGLOU-HXUWFJFHSA-N 481.670 2.200 30 10 JEEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1705822935 VXMYNWFOCNRCSP-QFIPXVFZSA-N 471.587 2.050 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1705931519 SAQIPMGGWQETFZ-QAPCUYQASA-N 463.991 2.162 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)CCC2CCCC2)CC1 1705935695 AOCBPHUEZSTTSA-HXUWFJFHSA-N 479.647 2.002 30 10 JEEE CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(c2ccccc2C#N)CC1 1710876477 ACJYPXOVLXTRCX-HXUWFJFHSA-N 458.588 2.153 30 10 JEEE CO[C@]1(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CC(C)(C)CN2CCOCC2)CCOC1 1711623888 BJCNHOZNBWTVAY-VWLOTQADSA-N 468.602 2.417 30 10 JEEE C#CCCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC(C(N)=O)CC1 1722318881 SXFZIVIPBMMWPX-UHFFFAOYSA-N 463.630 2.148 30 10 JEEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1CC(F)(F)C1(OC)CCOCC1 1722356803 LUBJVTRCFHUQCV-UHFFFAOYSA-N 453.515 2.170 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ncccc1N(C)C 1722422306 QRORFFGFSCMCHE-LJQANCHMSA-N 482.585 2.468 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(OCCC)nc2)CC1 1722446900 BCJZINPLKXJMFY-NRFANRHFSA-N 466.586 2.370 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](COC)C1 1722496746 ZSUKASORBRGTNN-SBHAEUEKSA-N 476.599 2.181 30 10 JEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2csc(CC)n2)CC1 1722527265 DKDPMQWVIFWQEY-UHFFFAOYSA-N 473.647 2.448 30 10 JEEE C=CCCOCCn1c(-c2ccc(CC)cc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1722625696 VGZHZWOYYRBHTA-UHFFFAOYSA-N 466.586 2.027 30 10 JEEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@](C)(O)c2ccsc2)CCN1S(C)(=O)=O 1731150274 IDZADDYKIMOTQG-AOMKIAJQSA-N 486.623 2.256 30 10 JEEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1740588615 CITULYPYDYPRPB-QGZVFWFLSA-N 463.542 2.320 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCc1cccnc1)[C@@H]1CCS(=O)(=O)C1 1740619728 QYUDBEMTINCXJB-HXUWFJFHSA-N 451.552 2.218 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C 1740685428 FNNNRPSZNICIOF-OTWHNJEPSA-N 452.621 2.108 30 10 JEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 1740716357 QHSRQADGSAKIKO-GOSISDBHSA-N 458.563 2.070 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1740767208 NFTLSGZOBGRVAG-SIKLNZKXSA-N 455.559 2.464 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2(O)CCCCCC2)CC1 1740839886 QANWLVJMJSUNHF-LJQANCHMSA-N 467.636 2.099 30 10 JEEE C=CC[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C)[C@@H](O)C1)c1ccccc1 1740855819 OVQFXIJPLJHIOQ-YJMBLLCNSA-N 489.642 2.178 30 10 JEEE C=CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(CCOC)[C@H](CC)C1 1740944001 JSOGUACXHSXUIF-GOSISDBHSA-N 461.636 2.280 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC(N2CCCNC2=O)CC1 1740963891 AIFXPNGXGAHOFZ-UHFFFAOYSA-N 487.992 2.197 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCCO[C@H](C)C1 1740987409 GHNYSRJWTFGSQN-MRXNPFEDSA-N 450.561 2.178 30 10 JEEE CCNC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC2(C)C)CC1 1746516779 FRASFUZYOBEHMY-IBGZPJMESA-N 451.575 2.033 30 10 JEEE CNC(=O)[C@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2C[C@@H](C)O[C@H](C)C2)C1 1748131342 HKHQESRBIWBNIE-MPCDZSKCSA-N 465.602 2.278 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCCN1CCC(O)CC1 1748666857 JLHPUBPAZVNVLK-LJQANCHMSA-N 477.613 2.370 30 10 JEEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2cnccn2)CC1 1748724641 XHQMWKFPLWSSJV-UHFFFAOYSA-N 450.572 2.190 30 10 JEEE C#CCN(c1nnc(-c2cc(C)nc3ccccc23)n1C[C@@H](COC)OC)[C@@H]1CCS(=O)(=O)C1 1748803878 ASNAJEJDMOAXKY-MOPGFXCFSA-N 483.594 2.090 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1Cc1cccc(C(OC)OC)c1)[C@H]1CCS(=O)(=O)C1 1748821296 OJJDRUVQFDIRNU-FQEVSTJZSA-N 458.584 2.197 30 10 JEEE C#CCN(CC#C)c1nnc(COc2cccc(C)c2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1748855697 HLOXFQPHHVVEMS-UHFFFAOYSA-N 474.565 2.493 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@]1(O)CCS(=O)(=O)C1 1748882453 SKENXYKSSGOWJM-SBUREZEXSA-N 472.636 2.144 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1748906393 DXXWQLNJHAGQPT-CMOCDZPBSA-N 457.619 2.353 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H](CC(C)C)NC(=O)OCC)CC1 1749008539 BQFFYRYLRNYXGN-IBGZPJMESA-N 469.590 2.400 30 10 JEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccc(C)c2C)CC1 1749022936 NWRHOFVCIBKKAX-LJQANCHMSA-N 476.672 2.198 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(F)(F)C1(OC)CCOCC1 1749065679 ABGCBTYMSFHWDB-VQIMIIECSA-N 472.558 2.003 30 10 JEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1749210641 KULQNRQXEZLXSK-IBGZPJMESA-N 454.579 2.002 30 10 JEEE C=CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1749604272 GJEAJJIMFXLGSC-LJQANCHMSA-N 458.588 2.338 30 10 JEEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCC(CC(=O)N(C)C)CC1 1749663512 IFNAIRAFDFGSJW-UHFFFAOYSA-N 463.586 2.434 30 10 JEEE Cc1nnc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3ccc(C#N)cc3Cl)CC2)s1 1751869070 FOPXYMLTWCUENC-UHFFFAOYSA-N 486.005 2.476 30 10 JEEE C#CCCCCn1c([C@@H]2CCCCO2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1760137885 YYRBRSLUNAWXKE-IBGZPJMESA-N 455.563 2.380 30 10 JEEE C#CCCCn1c(Cc2csc(C)n2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1760156513 IXNVVUZLQAOQQY-SFHVURJKSA-N 455.632 2.180 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCOc2cc(C)cc(C)c2)CC1 1760251884 KQIMCXZXOMGABS-UHFFFAOYSA-N 459.554 2.376 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccnc2)n1C[C@]1(O)CCS(=O)(=O)C1 1760477921 PAIULVTVMATVGO-HSZRJFAPSA-N 469.567 2.091 30 10 JEEE C=CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1760507724 ZYAZOFKGEORHIS-UHFFFAOYSA-N 479.603 2.407 30 10 JEEE C=CCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1760509640 WTKUJFGINOBNMZ-INIZCTEOSA-N 456.572 2.264 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCc2cc(OC)c(C)cc2C1 1760514408 DXNHAWOWSMZTQB-UHFFFAOYSA-N 454.575 2.378 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC(NC(=O)c2ccsc2)CC1 1760520504 PZBQPCZDLKXSSF-UHFFFAOYSA-N 451.556 2.103 30 10 JEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H]1COc2ccccc2O1 1760566678 ZUIFAELMWMNNAR-IRXDYDNUSA-N 464.613 2.376 30 10 JEEE CCC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(c3cccc(F)c3C#N)CC2)CC1 1764398572 BNQREVFHCGCKOS-MRXNPFEDSA-N 475.594 2.416 30 10 JEEE COc1cccc(-c2cc(O)nc(N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)n2)c1 1858572777 BYJARGYSTRCWGG-UHFFFAOYSA-N 451.508 2.240 30 10 JEEE COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2CCNC(C)=O)cc1 1862419427 UXEXREQKERGBJV-LJQANCHMSA-N 458.417 2.466 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCNC(C)=O)[C@H]2c2ccc(O)c([N+](=O)[O-])c2)cc1 1862690004 FFYXDHMEBFAETB-IBGZPJMESA-N 455.423 2.023 30 10 JEEE C[C@@H](NC(=O)C[C@H](c1cccc(Br)c1)c1nn[nH]n1)C(=O)Nc1cccc(C#N)c1 1867246519 GHAVWMMCUNCZBW-SJKOYZFVSA-N 468.315 2.499 30 10 JEEE COc1cc(C(=O)NCC(=O)Nc2c(C#N)nnn2-c2cc(C)cc(C)c2)cc(OC)c1OC 1870140460 SFPIOLIPBVGQMD-UHFFFAOYSA-N 464.482 2.150 30 10 JEEE C=CCn1cc(OCC(=O)N2CCCCCC2)c(=O)cc1CN1CCN(C(=O)OCC)CC1 1870497330 DAQGRHVEPBPNGB-UHFFFAOYSA-N 460.575 2.090 30 10 JEEE C=CCNC(=O)C1CCN(C(=O)[C@@H]2CC(=O)N(CCc3ccc(OCC)c(OCC)c3)C2)CC1 1872936995 WJFCOGFUULBHAT-OAQYLSRUSA-N 471.598 2.416 30 10 JEEE COc1cc(/C=N/n2c(SCCO)nnc2[C@@H]2CC(=O)N(C(C)(C)C)C2)cc(OC)c1O 1874280042 IQPKHXSFWPYFCY-DACUGSJHSA-N 463.560 2.082 30 10 JEEE COc1ccccc1OCc1nnc(SCC(N)=O)n1/N=C/c1cc(OC)c(OC)c(OC)c1 1874289563 LGUNDEWEVCVGFZ-BHGWPJFGSA-N 487.538 2.351 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CCS(C)(=O)=O)C(=O)NC1CC(B2OC(C)(C)C(C)(C)O2)C1 2060632598 CTYCWONZUMZOFJ-YMAMQOFZSA-N 460.402 2.055 30 10 JEEE COC(=O)[C@H](CC(=O)NCc1cccc(B2OC(C)(C)C(C)(C)O2)c1)NC(=O)OC(C)(C)C 2180985531 QNGTWQAYJQFBDC-KRWDZBQOSA-N 462.352 2.058 30 10 JEEE COCC1(NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)CN(C(=O)OC(C)(C)C)C1 2255874528 MDACEFPJAJTQBK-UHFFFAOYSA-N 452.382 2.413 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H]1NS(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2255934222 ZFFXXQIDHCQILP-GDBMZVCRSA-N 452.382 2.177 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)s2)CO1 2256623679 GPJQFETXUAOSMA-OLZOCXBDSA-N 453.370 2.311 30 10 JEEE CN(Cc1csc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)[C@H](O)CCNC(=O)OC(C)(C)C 2256670155 AVMNUHKQFDZKGA-OAHLLOKOSA-N 454.398 2.281 30 10 JEEE CC(C)(C)OC(=O)NCCO[C@H]1CCN(C(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2267163819 ZLGISJFNCODHME-AWEZNQCLSA-N 467.397 2.198 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)[C@H]1CN(C(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)CCO1 2267170787 AHBASYWQXLVXEF-UONOGXRCSA-N 467.397 2.197 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](O)C[C@H]1C(=O)NCc1sccc1B1OC(C)(C)C(C)(C)O1 2268645533 FTPKKMRFOBNEOO-ZBFHGGJFSA-N 466.409 2.424 30 10 JEEE CN(Cc1sccc1B1OC(C)(C)C(C)(C)O1)C(=O)[C@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C 2268646758 LJTYJQGIFQHXDL-GDBMZVCRSA-N 466.409 2.376 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(CNC(=O)C2(O)CC(NC(=O)OC(C)(C)C)C2)s1 2268713119 VMQIVTKHCHWGOT-UHFFFAOYSA-N 466.409 2.390 30 10 JEEE CC(C)(C)OC(=O)NCC1(O)CCN(c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)CC1 2269008491 BPFCLODXPBFSFC-UHFFFAOYSA-N 451.348 2.376 30 10 JEEE CC(C)(C)OC(=O)N1CC(F)(F)[C@](C)(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2278163244 ASDJLZXLNAMXAQ-SFHVURJKSA-N 474.339 2.090 30 10 JEEE CC(C)(C)OC(=O)NCCOCCOCCNC(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2281809415 HJHQCXHQYAZLOL-UHFFFAOYSA-N 484.424 2.335 30 10 JEEE CCn1cc(C(=O)N2C[C@@H]3C[C@@H]3[C@H]2CNC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2282035910 BHDOHBQYZOZZQQ-YQQAZPJKSA-N 460.384 2.187 30 10 JEEE C[C@@H]1CCN(C(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)[C@H](CNC(=O)OC(C)(C)C)C1 2282052809 QNVHMUHPMFRXKA-CVEARBPZSA-N 462.400 2.485 30 10 JEEE C[C@H]1CCN(Cc2ccccc2)CCN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282330343 YLHVKLRUJGHUNK-SFHVURJKSA-N 474.436 2.004 30 10 JEEE CCc1nc(C(=O)N2C[C@H](O)C[C@@H](NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2282521978 DWLYRQQBAXDLRJ-ZIAGYGMSSA-N 481.424 2.105 30 10 JEEE C[C@H]1CC[C@@H](CNC(=O)OC(C)(C)C)N(C(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C1 2282538860 LVMMYVIJVHAXSK-HOTGVXAUSA-N 462.400 2.485 30 10 JEEE Cn1cc(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 2282554552 FXMYIZVWABPVAW-CMJOXMDJSA-N 460.384 2.048 30 10 JEEE Cc1c(C(=O)N2C[C@H]3CCN(Cc4ccccc4)[C@H]3C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282558262 HJEHZQCVHUPJLV-UXHICEINSA-N 450.392 2.374 30 10 JEEE Cn1ncc(C(=O)N[C@@]23CC[C@@H](CN(C(=O)OC(C)(C)C)C2)C3)c1B1OC(C)(C)C(C)(C)O1 2282567509 OZJKJFKLAYCGRB-IQMFZBJNSA-N 460.384 2.239 30 10 JEEE Cc1c(C(=O)N2[C@H]3CC[C@H]2CN(C(=O)OC(C)(C)C)C3)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282575042 XMFTVRFYQGJPPW-HOTGVXAUSA-N 460.384 2.252 30 10 JEEE C[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2CN1C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2282577653 HUCJHKWVIQNVNJ-BZUAXINKSA-N 460.384 2.047 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O 2282675581 ZJHWPPXOWIJVAU-MOPGFXCFSA-N 460.380 2.394 30 10 JEEE CCC(CC)(CNC(=O)OC(C)(C)C)NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282856076 NIFHSPWRDNGWDB-UHFFFAOYSA-N 486.444 2.081 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@]2(CNC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2283057431 UMPHGNSKKREENE-CMJOXMDJSA-N 458.368 2.153 30 10 JEEE C[C@@H](NC(=O)CN1CC[C@@H](NC(=O)OC(C)(C)C)C1)c1nscc1B1OC(C)(C)C(C)(C)O1 2283956723 TWRGFERHIBEHDM-HUUCEWRRSA-N 480.440 2.219 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](OCC(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2284049366 STQYDUHJQZRVEI-OAHLLOKOSA-N 465.331 2.484 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)NC[C@H]1CN(C(=O)OCc2ccccc2)CCO1 2285205920 TYOXQIANOHHYQR-NRFANRHFSA-N 495.385 2.457 30 10 JEEE COc1ccc(C(O)=C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccco2)c(OC)c1 2296624493 UKOINRJAUFSZAO-NRFANRHFSA-N 456.495 2.441 30 10 JEEE N#Cc1ccc(N2CCC([C@H]3CN(C(=O)c4cnccn4)C[C@@H]3C(N)=O)CC2)cc1C(F)(F)F 2297650906 WFDXFNCJQXKIMV-MSOLQXFVSA-N 472.471 2.457 30 10 JEEE Cc1cccc(OC[C@H](O)Cn2c(NN=Cc3ccc(F)cc3)nc3c2c(O)nc(=O)n3C)c1 2327753942 PFLGKAOVOVBZQV-QGZVFWFLSA-N 466.473 2.169 30 10 JEEE CC(=O)NCc1nnc(SCC(=O)N[C@@H](C)c2ccccc2)n1N=Cc1ccccc1C(=O)O 2330792494 RWNWKSFEORLEMB-HNNXBMFYSA-N 480.550 2.464 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@H]2NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2334273936 OTARNRIBWDMCEW-JYJNAYRXSA-N 484.449 2.475 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(C(=O)Nc3cc(B4OC(C)(C)C(C)(C)O4)ccn3)CO[C@@H]1C2 2359200729 YORDOMROMBNLEZ-LNPFQXMTSA-N 459.352 2.392 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC(C)(C)C1 2362338341 QVNASXSPTAWWNO-OAHLLOKOSA-N 462.400 2.485 30 10 JEEE C[C@@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)C[C@@H](C)N(C(=O)OC(C)(C)C)C1 2362354873 WWAMVWHZROYOTE-HZPDHXFCSA-N 462.400 2.437 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@H]2C[C@@H](NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)c[nH]3)C[C@H]21 2368868631 ZGRJHCUBQJXHNB-CGTJXYLNSA-N 461.368 2.211 30 10 JEEE CN(C1(C(=O)O)CN(C(=O)OCc2ccccc2)C1)[C@](C)(C#N)Cn1cc(Br)cn1 2372478701 LBKUPFQMILUFKW-LJQANCHMSA-N 476.331 2.335 30 10 JEEE N#Cc1nc(-n2cnc(I)c2I)ccc1[N+](=O)[O-] 302354993 AUIFTIBKXFVGDY-UHFFFAOYSA-N 466.964 2.256 30 10 JEEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)NC2CCN(C(=O)CC(F)(F)F)CC2)cc1 589009978 CYFUXJHZAKBORX-UHFFFAOYSA-N 480.487 2.499 30 10 JEEE COCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(C)c2C)c(=O)n1Cc1ccccc1 609416610 HIJWVQPVINIYGN-UHFFFAOYSA-N 461.587 2.231 30 10 JEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1-c1cccc(Br)c1 727416655 WJEVDDOGRAZKCT-UHFFFAOYSA-N 456.321 2.060 30 10 JEEE CCCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1cccc(C)c1C 729668251 DDBUWHXBNDMLNT-UHFFFAOYSA-N 457.559 2.193 30 10 JEEE C#CCC[C@H](O)CNC(=O)[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 757487721 VXCGPHWMXIRAIH-KSFYIVLOSA-N 450.491 2.259 30 10 JEEE CC1CCC(C#N)(N(C)C(=O)[C@H](C)OC(=O)CCNS(=O)(=O)c2ccc(F)cc2)CC1 914291140 HTTZGEZGQRDSTO-TZQQIIETSA-N 453.536 2.357 30 10 JEEE C=CCc1ccc(OCC(=O)N(C)CC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c(OC)c1 919755421 SQLWDXYVNGXPLQ-UHFFFAOYSA-N 461.559 2.340 30 10 JEEE CCCSc1nnc(NC(=O)CSc2nnc(NN=Cc3cnn(C(C)C)c3)n2N)s1 1084278535 HWSHGYUVJSIDIG-UHFFFAOYSA-N 481.637 2.300 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)NCC(=O)c2ccc(Br)cn2)ccc1F 1177827272 FDIHUKBUQHMTJY-UHFFFAOYSA-N 456.293 2.060 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1CCN(Cc2ccccc2)CC1 1286277048 AINGMSKLVFBQGB-RTBURBONSA-N 458.632 2.258 30 10 JEEE C#CCCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1286316872 HDTBSJZAXGPSEG-LJQANCHMSA-N 456.568 2.393 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Br)n1C[C@@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1286386642 FDLJWKKAXKJBBZ-QRWLVFNGSA-N 481.416 2.495 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1286404923 XLEYRKBXECYBKF-SFTDATJTSA-N 497.621 2.239 30 10 JEEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)N(C)C2CCCCC2)CC1 1286701186 WKFPYTANPQIBQU-HXUWFJFHSA-N 492.690 2.060 30 10 JEEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 1286706554 PZKSZCRVFXWZEA-UHFFFAOYSA-N 458.607 2.478 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(O)CC(OCC)C1 1286745992 MCCZZRUQWMEKAH-RZFJCUDFSA-N 460.600 2.303 30 10 JEEE C=CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1286834788 MMFPOJOMMFRMFU-FQEVSTJZSA-N 462.601 2.220 30 10 JEEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H](C)CN1CCN(CC)CC1 1300321301 KJPDKUOYHVGJLA-OALUTQOASA-N 457.648 2.001 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@@H](OC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1300504020 IFIMYXYRPKTOHQ-UYAOXDASSA-N 464.563 2.294 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCC(=O)N1CCOCC1 1300516431 ONQVXBFCXGSJDZ-SFHVURJKSA-N 451.596 2.453 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2Cc2nccc(C(F)F)n2)CC1 1300727404 ZZZAHHMINQNCAN-UHFFFAOYSA-N 466.496 2.006 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCN1CCOC1=O 1300789407 LFEJCTGKDGBUTC-JOCHJYFZSA-N 457.556 2.183 30 10 JEEE C=C(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1300935472 RLMPOLJVBRRODY-LJQANCHMSA-N 484.557 2.314 30 10 JEEE C=C(C)COCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@H](C)O[C@@H](COC)C1 1300991156 KQPHGNYSTHRYPV-ZWKOTPCHSA-N 468.558 2.025 30 10 JEEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1)C1CC1 1301326759 HXPCRKQWMZIYBA-KSZLIROESA-N 451.637 2.223 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC=CCO1 1301403546 ZXQSBRUDTJCSPT-FCHUYYIVSA-N 487.626 2.191 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(CN2CCOCC2)CC1 1301520607 JMXVYIDHWHWWRP-IFMALSPDSA-N 474.650 2.048 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1301588770 JDHZZAYQUKKATL-HZPDHXFCSA-N 465.542 2.193 30 10 JEEE COc1ccc(CN([C@H]2CCS(=O)(=O)C2)S(=O)(=O)c2c(F)cc(C#N)cc2F)cc1 1309046453 CWQXEEAZUQVDBX-HNNXBMFYSA-N 456.492 2.223 30 10 JEEE CCN(CCn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1)C1CC1 1313804203 CSNQSQAGGJTTGY-NRFANRHFSA-N 451.575 2.350 30 10 JEEE CN(CC(=O)N1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1CC(C)(C)c1ccccn1 1314701418 GPKKFZATEADTNJ-UHFFFAOYSA-N 459.554 2.485 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(C(=O)N2CCCCC2)cc1 1358872056 NWBVGGVJXYYIHI-MSOLQXFVSA-N 472.615 2.021 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1cn(CCCC)nc1C)[C@@H]1CCS(=O)(=O)C1 1358961741 DNJCFSOBRZURNN-TZIWHRDSSA-N 474.631 2.152 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@]1(N(C)C)CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1358965461 VLSUDVNMZVNRBJ-KJWPAHLWSA-N 484.670 2.401 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@H]1CCN(CC)C1)[C@H]1CCS(=O)(=O)C1 1358966039 GVHWRIYQYOFLBZ-SFTDATJTSA-N 471.627 2.134 30 10 JEEE C#CCN(c1nnc(CCCc2ccccc2)n1CCc1ccn(C)n1)[C@H]1CCS(=O)(=O)C1 1358966219 JZDQKPMFIDVHAA-QFIPXVFZSA-N 466.611 2.056 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H]1CCCN1C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1358967729 QRWFZIJCGPTJFW-GUDVDZBRSA-N 493.630 2.156 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCO[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1358967975 WULSFMRPHQNIBT-XRXFAXGQSA-N 494.658 2.019 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@](C)(O)[C@H](C)CC 1358979169 FFZDLDWMSIDRRC-YDIMBITNSA-N 459.591 2.456 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H]1CC(=O)N(c2ccccc2)C1 1358985638 CZJOGNAXIFDBKU-HFZDXXHNSA-N 461.566 2.446 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cnn(C)c1C 1358994088 DSOGAIMSTUCWAJ-HXUWFJFHSA-N 467.574 2.140 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@]1(N(C)C)CCSC1 1359015329 PXERAMWDEUCMFI-HTAPYJJXSA-N 494.662 2.105 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2CCc2ccc(OCC(F)(F)F)nc2)CC1 1359039970 CUJGINJUPDGIJH-GOSISDBHSA-N 464.492 2.464 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@](C)(O)c2cc(C)oc2C)CC1 1359044848 PWUYZHAQAIEUKT-CJFMBICVSA-N 469.586 2.255 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2c(C)cc(C)cc2C)CC1 1359045531 LALGDLOYBIASPV-NRFANRHFSA-N 483.638 2.120 30 10 JEEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1359157708 RFYSETRQQHFCGE-HKUYNNGSSA-N 477.997 2.135 30 10 JEEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1359283454 RMCJJRDVOKIALS-JYJNAYRXSA-N 456.613 2.204 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1359296594 OHIPNORLBIIAHV-MOPGFXCFSA-N 482.585 2.292 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1359300833 KVVMUMZEAPXJCD-NRFANRHFSA-N 498.584 2.398 30 10 JEEE COc1cc(Cl)ccc1-c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H]1CCS(=O)(=O)C1 1504102245 DBLUTRDLRXLYPI-YJYMSZOUSA-N 453.927 2.484 30 10 JEEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCNC(=O)c1occc1C 1507611624 NHKQGBUEWLMCSG-UHFFFAOYSA-N 473.537 2.466 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1(O)CC(OCC)C1 1507676916 SAJOISSCPYBXCX-ODYYKVCPSA-N 471.602 2.442 30 10 JEEE C#CCN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H]1CCS(=O)(=O)C1 1507689675 LRACJFZLOLFYFI-QGZVFWFLSA-N 465.620 2.287 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 1507830493 BUCTWHHQHNMBPK-HKUYNNGSSA-N 480.660 2.132 30 10 JEEE C=C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC2(S(C)(=O)=O)CCC2)CC1 1507877626 LWUXVCKDDKDHDG-UHFFFAOYSA-N 493.655 2.319 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cccc(C(OC)OC)c2)CC1 1507884405 IDPPMCHBWOVKOK-HXUWFJFHSA-N 491.614 2.107 30 10 JEEE C=CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CCCN1S(C)(=O)=O 1507980938 ZGUIPQXINMGSKU-ZWKOTPCHSA-N 482.651 2.439 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N(C)Cc1ccc([S@@](C)=O)cc1 1508141826 OXXKQOSGEMPBII-VPTFNQTCSA-N 466.629 2.147 30 10 JEEE C=CCSCCn1c(CC2CCCC2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1508164764 LXLNXPRDARXLNN-UHFFFAOYSA-N 493.703 2.483 30 10 JEEE C#CCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1539133248 HCCBTKHGGPDAJS-UHFFFAOYSA-N 492.624 2.495 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1CCCC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1539205002 DRJABECQSUCYQV-ZWKOTPCHSA-N 491.589 2.052 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1Cc1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1539210247 AIFDGSDLTWZVJT-QGZVFWFLSA-N 485.566 2.242 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1539311979 FTDFXMKYMARWTA-NHCUHLMSSA-N 497.669 2.200 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1539315399 LKVQGNGASNQACH-KDURUIRLSA-N 466.586 2.357 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1nnc2n1CCC2 1539323434 GLZHVYXWSPRIJA-LJQANCHMSA-N 478.601 2.442 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2CCc2n[nH]c(C)n2)CC1 1539435927 DXEFOMPFYBKKAV-UHFFFAOYSA-N 485.390 2.141 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCN(C)C(C)C)CC1 1539474061 IMWLOGICDQZNSA-UHFFFAOYSA-N 468.602 2.268 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CCN2CCN(Cc3ccccc3)CC2)CC1 1539483370 YKPZSUUHISAREH-UHFFFAOYSA-N 491.684 2.260 30 10 JEEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccc(OCC)cc2C1 1539803346 HVQPSQDCMFCEPW-LJQANCHMSA-N 482.006 2.325 30 10 JEEE C=CC[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(N)=O)CC1)c1ccccc1 1539948168 OOAMPAPVHQAFDW-VQTJNVASSA-N 457.600 2.242 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CC[C@@H](OCc2cccc(OC)c2)C1 1540869948 AYZNZWDVHHSIFI-PZJWPPBQSA-N 455.559 2.278 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(=O)Nc2c(C)cccc2C)C1 1540892257 INZAAXMGSXJFPP-RTBURBONSA-N 473.599 2.217 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1540904549 NRXSFXWITUPFHO-OAQYLSRUSA-N 476.628 2.017 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCCN(C2CCCC2)CC1 1540906841 DHQXHCYFIUUFPK-UHFFFAOYSA-N 475.663 2.195 30 10 JEEE CNC(=O)[C@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCCCCC2=O)C1 1554405114 BVLYYSPQVAQKGA-AREMUKBSSA-N 493.612 2.484 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(Br)ccc1OC 1587640856 VSLURWBUSGHDQF-ZIAGYGMSSA-N 467.389 2.458 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCCO3)n2CCCN2CCC(O)CC2)c1 1587692458 DZIJEXVFMMNZRP-HSZRJFAPSA-N 480.613 2.423 30 10 JEEE C#CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N(C)CCNS(C)(=O)=O 1587827643 RVLFEOSMCJZXCF-UHFFFAOYSA-N 454.394 2.415 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@@](C)(O)c1ccco1)[C@@H]1CCS(=O)(=O)C1 1588039995 HFEFAZNBIGIVCE-IIBYNOLFSA-N 475.958 2.121 30 10 JEEE C#CCN(c1nnc(-c2ccc3ccccc3n2)n1CCCCCO)[C@@H]1CCS(=O)(=O)C1 1588045489 LUTZMWGYBKHRHR-LJQANCHMSA-N 453.568 2.283 30 10 JEEE C#CCN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H](C)N1CCN(CC)CC1 1588261939 ACNWKKVYUUWICG-LJQANCHMSA-N 472.037 2.347 30 10 JEEE C#CCN(CCOC)c1nnc(Cc2ccncc2)n1Cc1cc(F)ccc1N1CCOCC1 1588659485 JVBJHIODUCLEFS-UHFFFAOYSA-N 464.545 2.374 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CCN2c3ccccc3C[C@H]2C)CC1 1588968834 QXFYYNGXIOMMMD-LJQANCHMSA-N 450.587 2.232 30 10 JEEE C#CCSCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@@H](C)[C@@H](O)C1 1588985632 VXCXHLQVIFEUQA-WBVHZDCISA-N 462.645 2.120 30 10 JEEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1589135356 XPCQJTNHXCTZRH-HBMCJLEFSA-N 474.631 2.087 30 10 JEEE C=C(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1593621249 PNOUNDFMIDMTOK-QGZVFWFLSA-N 495.584 2.498 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1-n1ccnc1 1595303632 WRBAGWGJXBARIL-IBGZPJMESA-N 456.572 2.053 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(O)(C(F)(F)F)CC1 1595506619 HGUCCQIYIABHCD-UHFFFAOYSA-N 469.464 2.158 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCC[C@H](CNC(C)=O)C2)cc1 1595607985 NZXBYVJZRGVITF-OAQYLSRUSA-N 466.586 2.480 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1c[nH]c2cc(F)ccc12 1596830566 CPMPKQKGGMFSSR-MGPUTAFESA-N 489.577 2.070 30 10 JEEE CCN(C)C(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1615144073 FFPIFGBIJJTQNK-WAOWUJCRSA-N 495.632 2.052 30 10 JEEE CCOC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N[C@H](C)CC)CC1 1615991754 DPRUQOIKSPPMJZ-QGZVFWFLSA-N 453.547 2.400 30 10 JEEE CCOCc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1C[C@H]1CCOC[C@@H]1OC 1616910033 AROCSDWXSSSICX-UTKZUKDTSA-N 458.538 2.203 30 10 JEEE C#CCN(C)CCCNC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Br 1625360494 YFIHQYRSWFAWAN-UHFFFAOYSA-N 456.406 2.309 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1c(CC)nn(C)c1OC 1689847603 CRVRNGNPLZONRQ-OAHLLOKOSA-N 460.542 2.003 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(CCOC)CCC2)c1 1689872052 NEHJRYQNAQNPGC-HXUWFJFHSA-N 499.637 2.443 30 10 JEEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 1689902077 UZKWWTXVYXZFBY-UHFFFAOYSA-N 483.661 2.021 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CCc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1689982070 HHKSHEALKHFPIP-YKSBVNFPSA-N 490.601 2.327 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2CC2(N(C)C)CCCC2)CC1 1690136542 HCDCZQCTWQFTER-UHFFFAOYSA-N 471.650 2.037 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(C)=O)CC1 1690254275 ZDYXISOHVQZOJA-OFNKIYASSA-N 450.543 2.378 30 10 JEEE C=C(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1690277094 BYQNXUQVKYZQOY-XMMPIXPASA-N 484.557 2.362 30 10 JEEE C[C@@]1(C#N)CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccccc2Cl)C1 1692851430 FIEGRLSNSFUHJF-NQIIRXRSSA-N 479.006 2.443 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2C[C@H]2CCCS(=O)(=O)C2)c1 1705506061 ZFVZJOIXYZYFAZ-LJQANCHMSA-N 478.578 2.221 30 10 JEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN2CCCC[C@@H]2C1 1705525949 AIRSBDSWUIBGPT-HXUWFJFHSA-N 456.616 2.283 30 10 JEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CCCO[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1705559768 BDMFBAOLCFQWQZ-UXHICEINSA-N 479.002 2.421 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@](C)(O)c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1705566937 RWXVOPRVCWUGQM-YKSBVNFPSA-N 483.569 2.322 30 10 JEEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1705729482 ZMLJPYPQUMEXKD-BSRJHKFKSA-N 456.547 2.291 30 10 JEEE C=C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1705765082 XTPQMJKMUGCQMB-FQEVSTJZSA-N 454.499 2.253 30 10 JEEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1705810657 DMFMUNVLDDZSOK-UHFFFAOYSA-N 466.590 2.026 30 10 JEEE C=CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1705886550 DLPLHOARKFVCQM-IBGZPJMESA-N 456.591 2.373 30 10 JEEE C=CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1705890528 VHNHJYPTXRIKST-GOSISDBHSA-N 482.651 2.344 30 10 JEEE C=CCn1c(COc2ccc(F)cc2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1705892996 VQKRUWILWULOJD-QFIPXVFZSA-N 458.582 2.413 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1705905080 JEHDYPVOMOCMTL-JOCHJYFZSA-N 463.586 2.198 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@H](C(C)C)C1 1705934635 RSKSTMJPMFGPMI-KRWDZBQOSA-N 480.660 2.321 30 10 JEEE CC(C)OC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCOC(C)(C)C2)CCO1 1706693404 FZSLIVALDOYKFH-QHCPKHFHSA-N 498.628 2.470 30 10 JEEE N#C[C@H]1CN(c2nnc(-c3cc(F)ccc3Br)n2C[C@@H]2CCS(=O)(=O)C2)CCO1 1712882545 DEXFKFVYEMKMID-JSGCOSHPSA-N 484.351 2.010 30 10 JEEE C#CCCCCn1c(COc2ccc(C)cc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1722320809 LCCMPIKJOYWELB-UHFFFAOYSA-N 450.543 2.490 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@]1(O)CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1722358673 FBOSZWGXPHMQMR-HFJQGTKSSA-N 458.584 2.132 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2Cc2cccnc2OCCOC)CC1 1722439272 VYGPZANBVXBWCW-UHFFFAOYSA-N 464.545 2.232 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Br)s3)n2CC2(O)CC2)CC1 1722443921 QBSUOMKJYUHPCL-UHFFFAOYSA-N 464.389 2.260 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2Cc2ccc(S(C)(=O)=O)cc2)CC1 1722449547 UGYSAFAHFFZJBY-UHFFFAOYSA-N 497.646 2.348 30 10 JEEE C#CCSCCn1c(COc2ccccc2OCC)nnc1N1CCN2C(=O)CC[C@@H]2C1 1722464191 XIQYWYLHGNAGAZ-GOSISDBHSA-N 455.584 2.433 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N(CC)[C@@H]2CCS(=O)(=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1722498826 FHGHTLXXPQRIAP-ISHFTEKXSA-N 482.647 2.313 30 10 JEEE C=C(C)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1722519610 FQLNEUICRZHEMV-QGZVFWFLSA-N 467.567 2.228 30 10 JEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccccc2N2CCOCC2)CC1 1722574692 PWIHKNKSLWVYTH-GOSISDBHSA-N 474.631 2.176 30 10 JEEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 1722701607 WYOHEYNBXPYEFU-UHFFFAOYSA-N 483.592 2.213 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN(c2nc(C)cs2)CC1 1722726094 ZKMZHFHCHGTFGC-UHFFFAOYSA-N 459.601 2.032 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCOCC2(CC2)C1 1722729437 KQDARHYMXAEBGA-UHFFFAOYSA-N 452.527 2.365 30 10 JEEE C=CCSCCn1c([C@H]2CCOC2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1722739910 YTKSXUTYJXTFLY-DLBZAZTESA-N 453.609 2.431 30 10 JEEE CCN(CC)[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1)c1ccco1 1728373796 GJUGPMWKWSZUGY-SJLPKXTDSA-N 463.608 2.304 30 10 JEEE CO[C@]1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(CC(C)C)C(=O)[C@H]2C)CCOC1 1729943057 CKQPSFIYXNJPNZ-KOSHJBKYSA-N 452.559 2.315 30 10 JEEE COCC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](C)C2)CC1 1730420364 FGKSACZMOODFTN-AZUAARDMSA-N 452.559 2.460 30 10 JEEE C#CCN(c1nnc(-c2cc(C)nc3ccccc23)n1C[C@H](F)COC)[C@H]1CCS(=O)(=O)C1 1740619973 RVOZRYWAYKFZLR-ROUUACIJSA-N 471.558 2.413 30 10 JEEE C#CCN(c1nnc(COCC)n1CCCc1ccnc(C(C)(C)C)n1)[C@@H]1CCS(=O)(=O)C1 1740626766 CHAHWEGHKDJYKJ-LJQANCHMSA-N 474.631 2.162 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@]1(O)CCO[C@@H]1C 1740668889 DBOFCBGDJPQNLN-OSPHWJPCSA-N 450.543 2.235 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H]1CN(CC(C)C)CCO1 1740684219 LGJBMVXJJVROIB-IBGZPJMESA-N 479.585 2.037 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1cccc(S(=O)(=O)NC)c1 1740688042 PRRWLMBJEHANSE-NHCUHLMSSA-N 489.642 2.239 30 10 JEEE C#CCSCCn1c(COc2ccc(C)cc2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1740721761 SJJCIKWWZLVOLU-UHFFFAOYSA-N 491.621 2.352 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)c(C)c1 1740731834 JBMMSGIOLNRMOH-SIKLNZKXSA-N 461.563 2.099 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCNC(=O)c1cc[nH]n1 1740735863 IIIOJKJWHRDWSD-XVTZWQNCSA-N 482.589 2.194 30 10 JEEE C=C(C)Cn1c(CCc2ccccc2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1740783414 FOLJNCWDKABRCA-NRFANRHFSA-N 459.616 2.270 30 10 JEEE C=C(C)COCCn1c(Cc2ccccc2F)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1740794341 XREDIXCWRBSELW-LJQANCHMSA-N 456.522 2.073 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1740989651 UEKFMJXRXRJZJI-SFHVURJKSA-N 490.605 2.267 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)Cc1ccco1 1740991228 RDQFEJZHUBGNQK-UHFFFAOYSA-N 454.512 2.424 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1C[C@@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1748638829 XDWKECWSFCTFIJ-RDGPPVDQSA-N 495.584 2.408 30 10 JEEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1748752105 RVUBLKPIWDYOHO-QRVBRYPASA-N 472.590 2.247 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1CCN1CCc2ccccc2C1)[C@@H]1CCS(=O)(=O)C1 1748804649 JPDNVLVQWXRZMG-DENIHFKCSA-N 455.628 2.477 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1Cc1ccc([C@H](C)O)cc1)[C@H]1CCS(=O)(=O)C1 1748811206 DBMSJULBDVYRTI-PXNSSMCTSA-N 453.568 2.012 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccccc1C(F)(F)F 1748929722 OMGFOJYJAFEVRI-SFHVURJKSA-N 485.532 2.332 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H]2C[C@@H]2C)CC1 1749001510 URDULJBQENRNEJ-QFBILLFUSA-N 468.989 2.483 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2Cc2c(CC)nn(C)c2OC)CC1 1749010529 MLYCUSKINDQDGI-UHFFFAOYSA-N 479.560 2.403 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CCC 1749132132 YVSLPVJKZGMVLX-YRXWBPOGSA-N 455.625 2.217 30 10 JEEE C=C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCN(CC)S(C)(=O)=O)CC1 1749293150 CUQLFJMKDZATDR-UHFFFAOYSA-N 481.644 2.177 30 10 JEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2ccc(C)cc2)CC1 1749457715 OUZJLYLMMKEPTQ-OAQYLSRUSA-N 487.626 2.044 30 10 JEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1749629901 KIHPQSXUJISUBL-OTWHNJEPSA-N 464.611 2.318 30 10 JEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1cccs1)C[C@@H]1CCCO1 1749630321 QNJTVYYMGNHERG-WMZOPIPTSA-N 467.617 2.044 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)ccc2Br)nnc1N(C)CC(=O)NC(C)(C)C 1749655707 PXHVVBSIKJKTQZ-UHFFFAOYSA-N 493.406 2.369 30 10 JEEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC(C(=O)N2CCCC2)CC1 1749672190 SCIXZOQICGAFMF-UHFFFAOYSA-N 472.540 2.288 30 10 JEEE C=CCOc1ccccc1Cn1c(CN2CCCC2=O)nnc1N1C[C@H](C)O[C@@H](COC)C1 1749690428 XFBBFECSMBPKLH-AZUAARDMSA-N 455.559 2.254 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccn3)n2CC2(NC(=O)OC(C)(C)C)COC2)C1 1749704012 UGWWQWHVXZKDBO-QGZVFWFLSA-N 456.547 2.415 30 10 JEEE C#CCN1CCN(c2nnc(-c3nn(CCC)c(=O)c4ccccc34)n2C[C@@H](CC)OC)CC1 1760260191 NVCMQKHDMCOMCO-LJQANCHMSA-N 463.586 2.245 30 10 JEEE C=CCC(C)(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCS(=O)(=O)CC1 1760412096 IAUJOJXWPPDLBC-UHFFFAOYSA-N 459.620 2.289 30 10 JEEE C=CCC(C)(C)Cn1c(Cc2ccsc2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1760414092 DVZNROHKZHKFTR-UHFFFAOYSA-N 486.642 2.040 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCOC2(CCCCCC2)C1 1760549165 XODQNRMHLUCPSZ-UHFFFAOYSA-N 465.620 2.045 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CCNC(=O)c2ccc(C)c(F)c2)C1 1760550383 XOLSBOVECWLYFT-IBGZPJMESA-N 470.549 2.059 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1760556928 ULRUCWXDVUNHMP-UHFFFAOYSA-N 495.584 2.202 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2C[C@H](C)O[C@H](c3ccccc3)C2)nnc1[C@]1(OCC)CCOC1 1760558334 MJQXUKGWIWTTDJ-PTLVVNQVSA-N 490.626 2.497 30 10 JEEE CCNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nccc(C(F)F)n2)CC1 1767232266 FRFDEASOGIZAPL-UHFFFAOYSA-N 467.484 2.444 30 10 JEEE CNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCO[C@@H](C)C2)CC1 1767837977 FLERIKOFTAEUNI-PKOBYXMFSA-N 453.547 2.005 30 10 JEEE CS(=O)(=O)CCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1770332080 FMOUWHJOTIBOSZ-UHFFFAOYSA-N 483.573 2.036 30 10 JEEE C[S@](=O)C1(Cn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CCO[C@H](C#N)C2)CCC1 1770366860 HYUDSCIAUPILPM-SBKKAIJHSA-N 492.646 2.423 30 10 JEEE CN(C)C=NC(=S)N(C(=O)[C@@H]1CC(=O)N(C2CCN(C)CC2)C1)c1ccc(Cl)cc1 1852701887 FRVQRVTVIWTMKX-OAHLLOKOSA-N 450.008 2.491 30 10 JEEE COc1ccc(-n2cc(/C=N\NC(N)=S)c(-c3ccc4c(c3)N(C)C(=O)[C@H](C)O4)n2)cc1 1857807151 XTPRFAYQJJICSD-ADUFUACUSA-N 450.524 2.459 30 10 JEEE O=C(C1=C(O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccccc1C(=O)O)c1cccc(O)c1 1862598574 XLXLGJUHQQHKAV-HXUWFJFHSA-N 452.463 2.001 30 10 JEEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccc2c(c1)OCCO2 1862610508 NBMARMUQMFINOQ-ASSNKEHSSA-N 453.447 2.188 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)Nc2nnc(C)s2)cn1CCCCCO 1870572509 SKVORTRUGRCZFQ-UHFFFAOYSA-N 461.588 2.362 30 10 JEEE CC(=O)NCc1nnc(SCc2nc(O)c3ccccc3n2)n1/N=C/c1ccc(C(=O)O)cc1 1874434380 BWHBIESXVVCLBT-YSURURNPSA-N 477.506 2.436 30 10 JEEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)NCCN=c3ccc(=Nc4ccc(C)cn4)[nH][nH]3)n[nH]2)c1C 1891432701 QDXUIABPGRNEMH-UHFFFAOYSA-N 486.584 2.389 30 10 JEEE CC(C)(C)OC(=O)NCC(CNC(=O)OC(C)(C)C)NS(=O)(=O)c1ccc(C#N)cc1 2006288961 VLMACTHJNSJZOW-UHFFFAOYSA-N 454.549 2.255 30 10 JEEE CC(C)(C)OC(=O)N1CC(CO)(C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2124537032 VHWGCAPWERTULW-UHFFFAOYSA-N 450.316 2.293 30 10 JEEE C=C(CS(=O)(=O)N=[S@]1(=O)CC[C@@H](NC(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2247960902 AFPLCERMSHTBKW-ONSXPEOJSA-N 464.415 2.269 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@H](NC(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2255803719 SKFMPPZFFXEYHW-HZPDHXFCSA-N 452.382 2.147 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2csc(B3OC(C)(C)C(C)(C)O3)c2)C1 2255847077 NIMPZPCMJGTHSD-HUUCEWRRSA-N 452.382 2.005 30 10 JEEE CC(C)SC[C@H](NC(=O)OC(C)(C)C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2256642086 SCBZDOUNABUXMG-LBPRGKRZSA-N 472.442 2.233 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](CNC(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)CO1 2267012963 CTEZCHYRCWRAFO-HOCLYGCPSA-N 450.341 2.238 30 10 JEEE Cc1c(B2OC(C)(C)C(C)(C)O2)csc1C(=O)N[C@@]1(CO)CCN(C(=O)OC(C)(C)C)C1 2267111359 QWDMILQMSKNQDD-QFIPXVFZSA-N 466.409 2.457 30 10 JEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O 2267137106 KOQMBBIPBVHQMT-HOCLYGCPSA-N 466.409 2.313 30 10 JEEE CC(C)(C)OC(=O)N1CCCO[C@H](CNC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2267168792 FTURRANVUDTVMQ-CQSZACIVSA-N 467.397 2.198 30 10 JEEE Cc1cc(S(=O)(=O)N[C@@H]2C[C@@H]2CNC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2267703881 DJPULMQWCAOFPT-CRAIPNDOSA-N 466.409 2.486 30 10 JEEE CN(CCOCCNC(=O)OC(C)(C)C)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2267718141 OUPICIZFLAXIPD-UHFFFAOYSA-N 490.453 2.209 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(CNC(=O)CN2CC(NC(=O)OC(C)(C)C)C2)s1 2268649975 LXWJYZFQYURPLY-UHFFFAOYSA-N 465.425 2.181 30 10 JEEE Cn1nccc1[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2268654799 DTEJVKWTQOROGS-AWEZNQCLSA-N 463.369 2.380 30 10 JEEE Cc1sc(CNC(=O)[C@@H](CO)CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1C 2268714285 ILGXMVXYLXUFRC-OAHLLOKOSA-N 468.425 2.414 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)c2ccc(F)cc2B2OC(C)(C)C(C)(C)O2)CCO1 2281759415 LQXJMTFQMCWCOU-MRXNPFEDSA-N 464.343 2.491 30 10 JEEE Cc1c(C(=O)NC[C@@H]2[C@@H]3C[C@H]3CN2C(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281807460 QGUADHBOIIKSSU-ARFHVFGLSA-N 460.384 2.013 30 10 JEEE CCCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N(Cc1ccccc1)CC1(O)CNC1 2281811980 MLNKZMPNFLYVRT-UHFFFAOYSA-N 453.392 2.174 30 10 JEEE CC[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2CN1C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2281931248 SOKFKTUWFSJUPQ-HYVNUMGLSA-N 460.384 2.426 30 10 JEEE Cc1c(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H]3CC[C@H]32)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281984341 BZKJGMUFNCHVDI-CVEARBPZSA-N 460.384 2.252 30 10 JEEE CC1(C)OB(c2cc(C(=O)N3C[C@@H](CNC(=O)C(F)(F)F)C4(CCC4)C3)ns2)OC1(C)C 2281991626 CRZYTAPUYWKIRP-GFCCVEGCSA-N 473.326 2.363 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2CCO[C@]2(CNC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)C1 2282067899 VRSNYGVHPSCTTG-JLCFBVMHSA-N 479.408 2.198 30 10 JEEE CC(C)(C)OC(=O)N1CCC(CO)(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)CC1 2282193344 KDKJXHAEYZOFCK-UHFFFAOYSA-N 463.384 2.053 30 10 JEEE CN(CCc1nc(NC(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)n[nH]1)C(=O)OC(C)(C)C 2282201635 UQPRVUVEYNTCGR-UHFFFAOYSA-N 461.328 2.359 30 10 JEEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)N1S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282351354 ZKAZLLPCXPUHJZ-HZPDHXFCSA-N 481.424 2.399 30 10 JEEE CC(C)(C)OC(=O)NC1CCC(NS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CC1 2282352166 KUMNPOUJOOXAJL-UHFFFAOYSA-N 481.424 2.495 30 10 JEEE C[C@@H](O)CN(CCNC(=O)c1cccc(F)c1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2282406134 FWKCGIXQJMHXNR-OAHLLOKOSA-N 466.359 2.473 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@@H](NC(=O)C(F)(F)F)C[C@H]2C)n1 2282554538 FUQDZFVGICMIMA-ZIAGYGMSSA-N 455.286 2.361 30 10 JEEE Cn1ncc(C(=O)NC[C@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2282573431 ZZEUUCGTGVFAGR-CYBMUJFWSA-N 470.326 2.094 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 2282587456 MMNQOOANYXGFPE-PHZGNYQRSA-N 460.384 2.045 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H](F)C[C@H]1CNC(=O)OC(C)(C)C 2282589498 OOMXWVLNZNFHHS-CABCVRRESA-N 466.363 2.105 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(C(=O)OC(C)(C)C)[C@@H](CCO)C1 2282595375 SXEMNKQLJAFRDW-HNNXBMFYSA-N 481.424 2.195 30 10 JEEE CC(C)(C)OC(=O)N1CCn2[nH]c(=NC(=O)c3csnc3B3OC(C)(C)C(C)(C)O3)cc2C1 2282615273 XOTFKCGLBVXHBQ-UHFFFAOYSA-N 475.380 2.064 30 10 JEEE C[C@H](CNC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1)N1CCN(C(=O)OC(C)(C)C)CC1 2282624582 MXGZCRQDMZBLDZ-OAHLLOKOSA-N 480.440 2.113 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)[C@@H](CO)C1 2282653049 BVRQHFRIZMOSSP-APWZRJJASA-N 460.380 2.334 30 10 JEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CCC[C@@H](NC(=O)OC(C)(C)C)CC2)n1 2282656159 RHNLNWAIIKOTAP-LSDHHAIUSA-N 463.388 2.070 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)(C(F)(F)F)C1 2283976114 ZCCCCHJZFXEFQP-SFHVURJKSA-N 492.329 2.387 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@](O)(CC(=O)N=c2ccc(Cl)c(B3OC(C)(C)C(C)(C)O3)[nH]2)C1 2283979510 NUMLSDZZLAJQJP-JOCHJYFZSA-N 481.786 2.157 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@](CO)(C(=O)NCc2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2284019750 CEPPAXZIXIAEPV-XMMPIXPASA-N 460.380 2.222 30 10 JEEE CC(C)(C)OC(=O)N[C@]1(C(=O)NCCc2ccccc2B2OC(C)(C)C(C)(C)O2)C[C@H](O)C1 2284051283 MAOSVYYOUOJNQQ-SMQSCJQKSA-N 460.380 2.063 30 10 JEEE C[C@@H](C(=O)N[C@@H]1CCC=C1B1OC(C)(C)C(C)(C)O1)N1CCN(C(=O)OC(C)(C)C)CC1=O 2284069539 SXQSLHIYOZNWIM-DOTOQJQBSA-N 463.384 2.291 30 10 JEEE CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[C@@H](B2OC(C)(C)C(C)(C)O2)C1)[C@@H](O)C(F)(F)F 2319734206 OLVLPAYZYMHOLK-FRRDWIJNSA-N 452.279 2.498 30 10 JEEE COc1cc(OC)c(OC)cc1C=Nn1c(CNC(C)=O)nnc1SCC(=O)OCC(C)C 2330785530 AZZKPKJTFXBJQF-UHFFFAOYSA-N 479.559 2.114 30 10 JEEE Cn1nc(C(=O)NC[C@@H]2C[C@@H]3CC[C@H]2N3C(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2359266090 CHJBHGQVJSJHGY-YQQAZPJKSA-N 460.384 2.237 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@]23CC[C@H]2CN(C(=O)OC(C)(C)C)C3)n1C 2362483081 LWEMCLYYCDDABK-WNSKOXEYSA-N 460.384 2.157 30 10 JEEE CC(C)NC(=O)CN1CCN(/C(=N/c2ccc(C(=O)O)cc2)NCCc2ccccc2)CC1 21047005 QDHNGFMRFDIRIF-UHFFFAOYSA-N 451.571 2.347 30 10 JEEE COc1cc(NC(=O)C[C@H]2N=C(N/C(N)=N\c3ccc(C)cc3)N=C2O)cc(OC)c1OC 40376552 QFCQBBQOJVDFNP-OAHLLOKOSA-N 454.487 2.280 30 10 JEEE COc1cccc([C@H]2c3c(nc(NCc4ccc5c(c4)OCCO5)[nH]c3=O)NC(=O)[C@H]2C#N)c1OC 72472393 KTHDPVZNLQMLQO-HNAYVOBHSA-N 489.488 2.394 30 10 JEEE COc1cc([C@@H]2/C(=C(/O)c3ccncc3)C(=O)C(=O)N2CCCN(C)C)cc(OC)c1OC 102497855 IZCBLOXLAIIALO-GOBJLOIFSA-N 455.511 2.481 30 10 JEEE CCOC(=O)NC(=O)C(=NNc1ccc(Br)c2c1OC(C)(C)C2)C(=O)NC(=O)OCC 1088667020 MRTHMUIYDOVIAF-UHFFFAOYSA-N 499.318 2.476 30 10 JEEE C#CCOc1ccc(COC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@H]2CCCO2)C3=O)cc1 1127966975 DREDFBPDKLLNAJ-LJQANCHMSA-N 455.488 2.379 30 10 JEEE C#CCNC(=O)CN1CCCN(C(=O)c2nnn(-c3ccc(-c4ccccc4)cc3)c2C)CC1 1136632536 BHSYPLKNWYMLQD-UHFFFAOYSA-N 456.550 2.140 30 10 JEEE C#CCOc1ccccc1NC(=O)N1CCN([C@@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 1203533779 RJRUOOSNPZCGJM-HXUWFJFHSA-N 450.543 2.086 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2C[C@H]2CCOC[C@H]2OC)c1 1286311678 PICJBWUQMGXGNG-NFBKMPQASA-N 474.565 2.372 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1C[C@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1286384400 QMKFSGNFDVTCAA-IAGOWNOFSA-N 496.431 2.242 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCc1ccc(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1286391697 FNVBGJQKNICTEF-WOJBJXKFSA-N 488.610 2.059 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCCn1nc(C)cc1C)[C@H]1CCS(=O)(=O)C1 1286397395 ZBPFUBYMXZWXAR-VQTJNVASSA-N 460.604 2.050 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1Cc1ccc(N2CCC(CO)CC2)cc1 1286415595 PILVSEPEGXACCB-UHFFFAOYSA-N 462.598 2.136 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H]2CCCOC2)CC1 1286485680 UODSMAYAENRIFP-AQNXPRMDSA-N 458.607 2.231 30 10 JEEE C#CCSCCn1c([C@H](C)Oc2ccccc2F)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1286497130 NKBBCSSEWFWOHA-LZLYRXPVSA-N 462.547 2.284 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CCO[C@]2(CCOC2)C1 1286816517 JWBAWFJKOBGLEI-HXUWFJFHSA-N 452.964 2.195 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@](C)(C(=O)NC)C1 1286816954 OJOMWAIUWIWDNI-NRFANRHFSA-N 482.006 2.170 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1286820229 HRDAPEIJWGPYSB-GOSISDBHSA-N 453.653 2.456 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 1286821738 UAKWJROILGEJBM-UHFFFAOYSA-N 463.604 2.378 30 10 JEEE CC[C@H](C)N(C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2C#N)CC1 1291773045 DXISHRZIGFCVEZ-PZJWPPBQSA-N 485.658 2.109 30 10 JEEE C=CCOc1cccnc1C(=O)NC[C@H](O)COc1ccc(I)cc1 1294804498 ONFGUFIODCKOAT-AWEZNQCLSA-N 454.264 2.421 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@H](OC)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1300498578 LVDLLCJGVGDEEA-VXKWHMMOSA-N 465.579 2.278 30 10 JEEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1C[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 1300635455 MWIXKBCTOFQUJX-GBESFXJTSA-N 456.591 2.363 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@](C)(O)c2ccccc2Cl)CC1 1300719597 HXCPBMYYOORHGS-DEOSSOPVSA-N 479.972 2.262 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2ccccc2F)C1 1300762413 JQNQHKZVZYZWJS-APWZRJJASA-N 464.588 2.264 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(C(=O)N[C@@H](C)CC)c1 1300780486 REBBHVQNFLXFIW-LLJLJFOGSA-N 486.642 2.457 30 10 JEEE C=C(C)COCCn1c(N2CCS(=O)(=O)C3(CCCCC3)C2)nnc1[C@@]1(OCC)CCOC1 1301002190 WITLWMHSOZEZER-HSZRJFAPSA-N 482.647 2.461 30 10 JEEE C=CCC(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1301160385 PSSWLICCULXQMS-MRXNPFEDSA-N 485.614 2.345 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1301515197 QZKIQGZGAPJLJW-UHFFFAOYSA-N 481.601 2.194 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccccc1N1CCCC1 1301567357 HPOKFYYTJYQLTB-UHFFFAOYSA-N 486.642 2.352 30 10 JEEE C=CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(=O)COC)CC1 1301611772 QIGGNSIKKASSEF-UHFFFAOYSA-N 451.543 2.361 30 10 JEEE CCN1CCN(CCCn2c(C3CCN(c4ncccn4)CC3)nnc2N(C)[C@@H](C)CC#N)CC1 1313956134 ASSTWFSBWJSJOK-NRFANRHFSA-N 480.665 2.218 30 10 JEEE C#CC[C@]1(C(=O)Nc2ccc(CC(=O)NCC(=O)OC)cc2)CCCN1C(=O)OC(C)(C)C 1350538835 NAHRNDTXJDOCIA-XMMPIXPASA-N 457.527 2.250 30 10 JEEE CCOc1ccc(C(=O)N2CSC[C@H]2C(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1 1358418476 BCJFCHYAVYPGRU-FQEVSTJZSA-N 451.552 2.216 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](OC)C(C)(C)C)c1 1358902227 HVZZJWYCHNRKNW-ICSRJNTNSA-N 487.626 2.298 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1CCCNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1358955447 LZZXXYQLLRVROK-MRXNPFEDSA-N 453.609 2.117 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H](c1cccs1)N(C)C)[C@H]1CCS(=O)(=O)C1 1358960510 GGSZHUHPBLYMHZ-RBUKOAKNSA-N 470.624 2.331 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1ccc(OC)c(F)c1)[C@H]1CCS(=O)(=O)C1 1358964950 KOWNHYVEDKQNML-IBGZPJMESA-N 469.542 2.087 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@H](c1ccccc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1358965049 MXWJVVSETNXKDC-XZOQPEGZSA-N 478.622 2.194 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@H](C)Oc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1358965632 YOISITXUVOGTPV-RXVVDRJESA-N 483.569 2.497 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCN(C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1358967326 IFLZOPUULNAMHZ-NHCUHLMSSA-N 457.600 2.283 30 10 JEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1358981947 DGCPURFAIIEFNP-OALUTQOASA-N 468.627 2.230 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CC[S@](=O)CC)CC1 1359042067 QHUAVHDNUDKPGC-UUWRZZSWSA-N 479.610 2.070 30 10 JEEE C#CCSCCn1c(-c2ccccc2F)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1359053351 KMWZZRJPBWDWTC-PGRDOPGGSA-N 470.618 2.439 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)c2ccccc2)CC1 1359132738 DPXRGRYFYANVIE-HXUWFJFHSA-N 487.626 2.172 30 10 JEEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1359183664 QTMGMSRJHJESBB-INIZCTEOSA-N 461.592 2.046 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCOC1 1359259370 UMFNVPHRVBAVQM-RTWAWAEBSA-N 475.615 2.230 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1359333742 IJFYQHSXEUCYKO-GLDPYIMESA-N 490.626 2.251 30 10 JEEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1473324673 DBJQGKUVXCNKSP-KRWDZBQOSA-N 451.527 2.368 30 10 JEEE CC[C@H](C)[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1494940621 FWZGFAYNGLQPLC-NHZRIVAWSA-N 496.612 2.353 30 10 JEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 1507588369 LFFHAUODVMSAOH-IAGOWNOFSA-N 451.593 2.087 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CCCN1CCN(c2ccccc2)CC1 1507659053 UIVKJEAYCUNVTB-UHFFFAOYSA-N 473.625 2.189 30 10 JEEE C#CCN1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CCCOC(C)C)CC1 1507723861 XBMLMDLHOJGPDD-UHFFFAOYSA-N 463.586 2.245 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@@H]2CCO[C@@H]2C(C)C)CC1 1507740160 PCBABLNLBJVIPC-NZQKXSOJSA-N 450.587 2.291 30 10 JEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(c2ncc(C)s2)CC1 1507746730 TWFZEDIGSLCZJF-HNNXBMFYSA-N 468.674 2.404 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCN1C(=O)OC(C)(C)C 1507763567 CZTLZNHNEKCOGS-DRSNIGMVSA-N 480.635 2.280 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N(C)Cc1cccc(C(N)=O)c1 1507805638 KNAPKQBKYRDXGL-KNQAVFIVSA-N 452.559 2.117 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2c[nH]c3ccccc23)nnc1N(C)CCNS(C)(=O)=O 1507810249 WQQDROUUIGCEIR-HTAPYJJXSA-N 472.615 2.317 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1NC(=O)CC1(C)C 1508005685 ZJCVDMQVOKSGQS-MOPGFXCFSA-N 457.600 2.288 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@]2(CCOC2)C1 1508133959 ABOYUQQMDNJRHW-QHCPKHFHSA-N 492.598 2.189 30 10 JEEE C=CCSCCn1c(COc2ccccc2F)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1508167505 MEULXJXNBIFHPZ-KRWDZBQOSA-N 474.562 2.388 30 10 JEEE Cc1cccc(O[C@H](C)c2nnc(N(C)C[C@@H](C)C#N)n2C[C@@]2(O)CCS(=O)(=O)C2)c1C 1510369510 BEQTYYCOOQDLLK-REDKUUPNSA-N 461.588 2.180 30 10 JEEE CC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)CN(CC)CC)CC1)OC 1513452250 AFHKPVMQLAJANA-OAQYLSRUSA-N 453.591 2.232 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H](C)CN1CCCC1 1538983838 YDNJLBWAWMGDJS-RTBURBONSA-N 458.632 2.385 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@H]1CCCN1CC)[C@@H]1CCS(=O)(=O)C1 1539212772 SNICWZZJQSQYJT-RTBURBONSA-N 487.626 2.073 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCN1C[C@H](C)O[C@@H](C)C1 1539362336 XQXBQNUSUJTATL-OALUTQOASA-N 463.586 2.151 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccc(NC(=O)CCC)cc2)CC1 1539431864 XPUYPVBYFUYDHE-AREMUKBSSA-N 480.613 2.472 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@@H](COC)OC)CC1 1539437519 CTSYCZFIPXTUBQ-AWEZNQCLSA-N 454.394 2.186 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@H](c2ccco2)N(C)C)CC1 1539483279 VIMVSVOIDVYZTH-OAQYLSRUSA-N 461.570 2.126 30 10 JEEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2ncccc2F)CC1 1539490416 BYBPZSDGHNLVNT-UHFFFAOYSA-N 459.595 2.424 30 10 JEEE C=C(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1539691144 LBITYKBMOFRRAS-FQEVSTJZSA-N 456.572 2.024 30 10 JEEE C=C(C)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1539706616 MRQKLUDFAVEIDE-GHTZIAJQSA-N 454.575 2.403 30 10 JEEE C=CC1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCS(=O)(=O)NC(C)C)CC1 1539883997 AAZCSHYQGKJSKM-UHFFFAOYSA-N 471.587 2.324 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2csc([C@@H](C)OC)n2)CC1 1539891096 XQEGBTLXETUGRZ-QAPCUYQASA-N 496.659 2.226 30 10 JEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 1540858316 QQHYHGBXKUHZPY-PMACEKPBSA-N 496.033 2.400 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCn2ccnc2C)C1 1540885190 DDPPLPHKLZFWJK-FQEVSTJZSA-N 485.614 2.182 30 10 JEEE CC[C@H](C)NC(=O)CCn1c(Cc2ccncc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1545703498 HFYQXINQIOXGSX-IBGZPJMESA-N 473.585 2.162 30 10 JEEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)cc1 1556220099 WNZAEOGUCBSFLQ-UHFFFAOYSA-N 450.520 2.433 30 10 JEEE C#CCCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1587834745 FEZQGBCOMMRMLU-SFHVURJKSA-N 466.542 2.239 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2ccccc2Cl)C1 1587861496 MTYWJOIYBYHIGY-WOJBJXKFSA-N 494.017 2.256 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1588213923 AWHUKLDNRXAYAK-WJTDDFOZSA-N 480.532 2.120 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OCCCC)c(OC)c3)n2C[C@]2(C)CN(C)C2=O)CC1 1588791562 ZLCAWOLSNOKWOC-SANMLTNESA-N 480.613 2.366 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2C[C@H]2CSCCS2)CC1 1588871654 LRLSTHAQLOAHJB-SFHVURJKSA-N 459.641 2.470 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@H](CC(C)C)NC(=O)OCC)CC1 1588913267 FKGBXTZJIRHZDK-FQEVSTJZSA-N 481.601 2.467 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1589556440 CIBWPWAVALNMJK-ISKFKSNPSA-N 494.640 2.332 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1ccccc1)N(C)C 1589663507 NXFAZFVHOJUTBF-RTWAWAEBSA-N 476.647 2.316 30 10 JEEE C=CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H](N1CCOCC1)C(F)(F)F 1594949341 XTIJKAJFEAOQGG-MRXNPFEDSA-N 463.464 2.479 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCO1 1595162120 WPNIFBYFROCLRG-WMZOPIPTSA-N 467.617 2.044 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1595822410 GZBPFNIUZIPLOC-HXUWFJFHSA-N 496.655 2.088 30 10 JEEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccc1 1595884488 MCDPMSCHQZMWDW-GOSISDBHSA-N 451.618 2.167 30 10 JEEE CC(C)NC(=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1CCCN1C[C@H](C)O[C@@H](C)C1 1608242288 BDXXTZUWUOWMRG-OALUTQOASA-N 453.591 2.424 30 10 JEEE C#CCN1CCN(C(=O)COc2c(I)cccc2C(F)(F)F)CC1 1643964876 PQRJVPRJDDPEDU-UHFFFAOYSA-N 452.214 2.466 30 10 JEEE COC(=O)[C@@H](c1cccc(C#N)c1)N1CCC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2=O)C1 1658326584 HFHCYDWQXOYVQQ-TZIWHRDSSA-N 456.543 2.316 30 10 JEEE C#C[C@H](NC(=O)N1CCC(c2nnc3n2CCN(C(=O)OC(C)(C)C)C3)CC1)[C@@H]1CCCO1 1680314273 MFAGPOSFTFYSNH-ROUUACIJSA-N 458.563 2.099 30 10 JEEE C#C[C@H](NC(=O)N1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1)c1ccc(F)cc1 1683497346 CUMLVUUUAQQGIZ-FQEVSTJZSA-N 458.515 2.208 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](CC)Oc1ccccc1F 1689853240 QIRCHIRPVKMJGS-QKLQHJQFSA-N 479.578 2.066 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H]1SCCc2ccccc21)[C@H]1CCS(=O)(=O)C1 1689977757 CCZLWDYSNYZURL-AZUAARDMSA-N 487.651 2.074 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCOCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1689991081 VNPHTLUBUVGGBJ-NHCUHLMSSA-N 458.584 2.016 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2C[C@H](C(C)C)N2CCOCC2)CC1 1690128921 MJFOTFLGOCZQOE-HSZRJFAPSA-N 454.594 2.120 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1 1690236374 LZLHUWWGRDRAFD-ZCFPFICJSA-N 493.605 2.107 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cccc(COC)c2)CC1 1690410907 ATIDXMMJNTUPLJ-NRFANRHFSA-N 475.615 2.208 30 10 JEEE C=CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)CC(=O)N1CCOCC1 1690470440 BREHMQWWXKMONX-UHFFFAOYSA-N 460.966 2.123 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H](C)C[C@H]1CC 1690662615 BMMYDTQDOXRWFL-SJLPKXTDSA-N 460.604 2.122 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCc2c(ccnc2N(C)C)C1 1690675650 APFUMAACLPVHPC-UHFFFAOYSA-N 461.570 2.491 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CC(=O)N(CCOC)C2)C1 1690691193 AICRPORVTVJYTA-PZJWPPBQSA-N 450.543 2.093 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1690719050 GHDUWNYNYQCKAN-KRWDZBQOSA-N 473.020 2.213 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@H](OCC)C1 1690724892 YEBGFZLSCMPUID-FXAWDEMLSA-N 462.572 2.397 30 10 JEEE CC(=O)NC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2C[C@H](C)O[C@H](C)C2)CCO1 1690965467 DGWYRBOTEHSQLL-NNTZPNAXSA-N 482.585 2.274 30 10 JEEE CN(C[C@@H]1CCOC1)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCCS1(=O)=O 1696765309 AFTWQHBGSPWCAT-AZUAARDMSA-N 459.572 2.169 30 10 JEEE CS(=O)(=O)c1ccc(OCCn2c(Cc3ccccn3)nnc2N2CC[C@@](F)(C#N)C2)cc1 1698299747 HGGZFGIXWWPHNY-JOCHJYFZSA-N 470.530 2.188 30 10 JEEE N#Cc1ccc(OCc2nnc(N3CCC[C@@H](CC(N)=O)C3)n2CCCN2CCCCC2=O)cc1 1698488596 GLUQQKSOQHJIBK-FQEVSTJZSA-N 479.585 2.223 30 10 JEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CCC1(O)CCOCC1)[C@H]1CCS(=O)(=O)C1 1705562189 YNJBHZVQRXVJSO-IBGZPJMESA-N 479.002 2.157 30 10 JEEE C#CCN(c1nnc(CCOc2ccccc2)n1C[C@@H]1CCSC1)[C@H]1CCS(=O)(=O)C1 1705568444 NQDMOCWHYHPTBA-OALUTQOASA-N 460.625 2.279 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](NC(=O)OC(C)(C)C)C(C)C)CC1 1705639699 UNZLDMRGHJEIDG-WOJBJXKFSA-N 460.623 2.477 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2Cc2ccc(OC)nc2OC)CC1 1705640030 BTDIDTBNYOLKNM-UHFFFAOYSA-N 450.518 2.224 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2c(C)noc2C)CC1 1705646996 WJLRIDJJLXAFQF-UHFFFAOYSA-N 463.498 2.472 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CCCC2CCOCC2)CC1 1705649578 BAYXZLKVNRGKCG-UHFFFAOYSA-N 450.587 2.437 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccccc2F)nnc1N1CCCN(S(C)(=O)=O)CC1 1705703674 VYCPFGFQTMIVCD-DENIHFKCSA-N 477.606 2.461 30 10 JEEE C=C(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN([C@@H](C)C(=O)NCCCOC)CC1 1705723517 YYRFQQRWRHAFPQ-KRWDZBQOSA-N 461.998 2.233 30 10 JEEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1705729483 ZMLJPYPQUMEXKD-IUKKYPGJSA-N 456.547 2.291 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@@H]1COCCO1 1705857046 OASYHZPLINPPTF-TZIWHRDSSA-N 476.599 2.187 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1705898827 YYXYVEGTNOQAIE-AVRWGWEMSA-N 485.585 2.429 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1705909479 YHALLEGFBVVJCJ-WCWOTTQVSA-N 461.607 2.272 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC[C@H](CN2CCC(C)CC2)C1 1705932687 YCFAFNCROICECV-HXUWFJFHSA-N 473.647 2.284 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CCc2nc(O)c(C#N)cc2C1 1705937878 HMKKFWBOGZVBSB-UHFFFAOYSA-N 498.540 2.132 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(OC)cc2)nnc1N1CCOC2(CCC2)C1 1705938374 WVAYAWXHIWWZCW-UHFFFAOYSA-N 462.572 2.226 30 10 JEEE CN(CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@H](C#N)C1)C1CCCC1 1711207181 DVVRAVOMYRKPSR-HXUWFJFHSA-N 471.993 2.465 30 10 JEEE COC[C@@H](Cn1c(-c2cccc(OC)c2)nnc1N1CCN(c2cc(C#N)ccn2)CC1)OC 1712149722 DIOABUBWDSXEPV-OAQYLSRUSA-N 463.542 2.208 30 10 JEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2c(F)cccc2OC)CC1 1722333523 WWLSMERXZUXCED-QGZVFWFLSA-N 461.563 2.068 30 10 JEEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccc(OC)cc1)N1CCCC1 1722351504 IVPNFMPTPWHJGS-TZIWHRDSSA-N 457.600 2.095 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCCSC1 1722375145 LAJCVHIPRDYWGB-GOSISDBHSA-N 457.625 2.411 30 10 JEEE C#CCN1CCN(c2nnc(CC(C)(C)C)n2CC[C@@H](N2CCOCC2)C(F)(F)F)CC1 1722438586 ZPTHMFWQKAVKRK-GOSISDBHSA-N 456.557 2.275 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1722500666 COWGYYYZKLRFLN-KNQAVFIVSA-N 475.615 2.228 30 10 JEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2cccc(Br)c2C1 1722686402 ZYKKHMLFLQVUHI-KRWDZBQOSA-N 482.404 2.122 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C)CN(C)C(=O)OC(C)(C)C)C1 1722719043 PVSVTPGNCQGCFK-GUDVDZBRSA-N 497.662 2.465 30 10 JEEE CC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1726626817 DTUZXXZDWNCQSM-LJQANCHMSA-N 458.588 2.247 30 10 JEEE CCS(=O)(=O)NCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@H](C)CC#N 1729224842 DZGXHCKBZJYYSL-SJORKVTESA-N 483.639 2.070 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@@H]1CCSC1)[C@@H]1CCS(=O)(=O)C1 1740626002 QZPPBHULDCTZOB-PKOBYXMFSA-N 460.625 2.257 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CCC(=O)N1CCOCC1 1740650567 FSRSMZFNDOUBKM-UHFFFAOYSA-N 479.581 2.453 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN(C)CC(F)(F)F 1740652478 AOJXIYMEKAJSHR-UHFFFAOYSA-N 481.548 2.195 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2Cc2cc(COC(C)(C)C)on2)CC1 1740705657 KUQXHXOUNJPOJH-IBGZPJMESA-N 484.601 2.489 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H](OC)C(CC)CC 1740732351 ZYWCUYZVQUIDGE-SXWKCWPCSA-N 481.663 2.444 30 10 JEEE C=C(Br)Cn1c(-c2ccc[nH]2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1740742207 GSNVHTOICRGLGX-GOSISDBHSA-N 478.439 2.413 30 10 JEEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 1740786832 QCFIZDLIVVQJFR-FPOVZHCZSA-N 475.615 2.479 30 10 JEEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC=C(c2ccccc2)C1 1740888733 VNUGBCPJOCXDLJ-JOCHJYFZSA-N 487.626 2.497 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H](C)[C@@H](C)C1 1740987990 QJKKNSPJAVSEAK-ROUUACIJSA-N 495.671 2.279 30 10 JEEE C[C@@H]1C[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(NS(C)(=O)=O)CC2)CCO1 1742962087 GUYLGAWQVNCARR-MJGOQNOKSA-N 488.614 2.062 30 10 JEEE CCc1ccc(CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@H](C)CC#N)cc1 1744356239 DVLBSVGWOBRJQU-YLJYHZDGSA-N 460.604 2.154 30 10 JEEE CO[C@]1(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCN2C[C@H](C)O[C@H](C)C2)CCOC1 1748494984 ASPFWLBIZRPZMW-GLDPYIMESA-N 454.575 2.168 30 10 JEEE C#CCCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCO[C@@H](C(=O)NC)C1 1748714586 JHLKQMFUCGZGRZ-LJQANCHMSA-N 474.606 2.147 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCCN(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1748807901 DCDXZODBIVXMJL-NRFANRHFSA-N 454.600 2.174 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(F)cc2Br)n1CCN/C(O)=C1/N=CC=CC1=O 1748836155 QZHQNRDPBLQOPD-VZCXRCSSSA-N 497.328 2.446 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1csc(C)n1 1749269873 YDFNGXRZIJRGEM-CVEARBPZSA-N 473.024 2.470 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(c2cccnn2)CC1 1749652303 KQJKFDSSVODXIL-QGZVFWFLSA-N 482.976 2.490 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CCc1cccs1 1749655488 MKTNIDSWOCITTG-UHFFFAOYSA-N 459.597 2.391 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CCN(C(=O)c2ccccn2)CC1 1749679864 CEZGKCVIOSJHSD-UHFFFAOYSA-N 489.580 2.079 30 10 JEEE C=CCNC(=O)Cn1c(N2CCO[C@@H](c3ccccc3C)C2)nnc1[C@@]1(OCC)CCOC1 1749681898 KHKZFYMGIPDQIY-HYBUGGRVSA-N 455.559 2.119 30 10 JEEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](C(C)(C)C)C1 1749738070 DLRXHLLONVSIAP-KRWDZBQOSA-N 481.644 2.122 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1CCCN(C)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1760184857 ZPKSFEXQAJWYDT-KRWDZBQOSA-N 467.636 2.459 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2ccccc2C)CC1 1760233896 QPXPHVVHNDTFHD-HXUWFJFHSA-N 457.600 2.111 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2CCO[C@H](C)C2)CC1 1760266767 LREMITJSJCQBAU-RTBURBONSA-N 499.637 2.130 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCCCNC(=O)OC(C)(C)C)CC1 1760273293 NWUVKDWKUGWTMJ-LJQANCHMSA-N 474.606 2.400 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1760319163 LAUURXYUIPXTJZ-RTWAWAEBSA-N 470.599 2.270 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccc2F)nnc1N1CCN(CC(=O)NCC)CC1 1760323505 CXZFLECGSMBNCU-RDPSFJRHSA-N 470.593 2.247 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](OCCCc2ccccc2)C1 1760346315 RWNSAJPFKFWSPJ-FCHUYYIVSA-N 489.642 2.415 30 10 JEEE C=C(C)COCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@](F)(C#N)C1 1760352182 RHJZJFZLHYLLKJ-NRFANRHFSA-N 462.551 2.230 30 10 JEEE C=C(Cl)Cn1c(C2CC2)nnc1N1C[C@@H]2[C@@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1760373413 RIYRXNMHIHOLAJ-ILXRZTDVSA-N 457.984 2.035 30 10 JEEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C)c2ccccc2C1 1760427528 COCXDPKKEFUSIK-OAQYLSRUSA-N 474.631 2.424 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CC[C@@H](NC(=O)NC3CC3)C2)cc1 1760529784 GOGLXMAAGYSVER-LJQANCHMSA-N 467.574 2.070 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCC(NC(C)C)CC1 1760556561 IBMFMIATGVGOSR-UHFFFAOYSA-N 452.650 2.201 30 10 JEEE CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2nc(C)cs2)CC1 1766261898 BAQVKJSVULFFNH-UHFFFAOYSA-N 480.598 2.347 30 10 JEEE CCO[C@@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCn2cc(Br)cn2)CCOC1 1767438316 FCZMSTANUCSPJG-ROUUACIJSA-N 468.331 2.031 30 10 JEEE COCCN(C)CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1771075998 BVRSJJOLJCTGNT-QHCPKHFHSA-N 498.653 2.314 30 10 JEEE O=C(C1=C(O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccccc1[N+](=O)[O-])c1ccc2c(c1)OCO2 1862630596 XLYNEEGODIVXGQ-NRFANRHFSA-N 481.461 2.234 30 10 JEEE CC[C@](C)(NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1)C(=O)N1CCC(C(N)=O)CC1 1868794878 HIBLOVQZJLEGML-MBSDFSHPSA-N 459.616 2.034 30 10 JEEE O=C([C@H](Cc1ccc(F)cc1)N=C1NS(=O)(=O)c2ccccc21)N1CCN(c2ccccn2)CC1 1869929327 GQDIGWFIKSNJEW-NRFANRHFSA-N 493.564 2.219 30 10 JEEE C=CCOc1ccccc1OCC(=O)Nc1nc(N2CCC[C@@H](C)C2)nn1[C@@H]1CCS(=O)(=O)C1 1869996242 XDHHMYTUEYARHV-QZTJIDSGSA-N 489.598 2.456 30 10 JEEE N#Cc1nnn(-c2ccc(Cl)cc2)c1NC(=O)c1ccc(N2C[C@@H](C(=O)O)CC2=O)cc1 1870150474 CVOQCKWHPINDPV-ZDUSSCGKSA-N 450.842 2.482 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NC[C@@H]2CCCO2)cn1CCCN(CC)CC 1870543999 GLDVMPRYQGGPQR-QHCPKHFHSA-N 474.646 2.428 30 10 JEEE C=CCn1cc(OCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])c(=O)cc1CN1CCN(CC)CC1 1870697234 YFKBHHJEHHEPQU-UHFFFAOYSA-N 485.541 2.106 30 10 JEEE C=CCn1c(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc2c(NCCNC(C)=O)ncnc21 1875230582 GFVCCBREYLNOEO-UHFFFAOYSA-N 492.540 2.036 30 10 JEEE CN1CCN(CC#CCOC2CCN(C(=O)c3ccc(Br)cc3F)CC2)CC1 1889363359 NQVKIJJLFOTLAC-UHFFFAOYSA-N 452.368 2.460 30 10 JEEE COc1cccc2c1SC[C@H](C(=O)N1CCC(OCC#CCN3CCN(C)CC3)CC1)C2 1890710244 HDADTMIXRGTIAH-OAQYLSRUSA-N 457.640 2.218 30 10 JEEE CC1(C)OB(c2csc(CNS(=O)(=O)N3CC(OCc4ccccc4)C3)c2)OC1(C)C 2043683545 PJCLUYKHHFRYGC-UHFFFAOYSA-N 464.418 2.283 30 10 JEEE C#CCN(C(=O)C1=C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C1)C1CCN(C(=O)OC(C)(C)C)CC1 2136313643 ZHFROXASRKCGEO-RBUKOAKNSA-N 463.575 2.432 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2247882583 QYCUECJWVXQMNB-ZDUSSCGKSA-N 458.411 2.335 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CC[S@@](=O)(=NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)C1 2255851222 NLDKIRQAPJYYNY-FYKVGYICSA-N 454.354 2.484 30 10 JEEE C[C@H]1C[C@@H](NC(=O)C(F)(F)F)CCN1S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2267371666 DISAFJRGUZXEFN-RYUDHWBXSA-N 482.355 2.267 30 10 JEEE CC(C)(C)OC(=O)N[C@@](C)(CO)CNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2267451582 SWDGJNDUXGZWKZ-JOCHJYFZSA-N 452.332 2.130 30 10 JEEE COCCCCN(Cc1ccccc1)S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2267706601 BKRDTUPYBZDJRA-UHFFFAOYSA-N 463.409 2.337 30 10 JEEE CC(C)(C)OC(=O)N1CC2(COC[C@H](CNc3ccc(B4OC(C)(C)C(C)(C)O4)cn3)O2)C1 2279199586 XWVHVNAAYHSCMG-KRWDZBQOSA-N 461.368 2.198 30 10 JEEE Cn1ncc(C(=O)N2CC[C@@H](C(C)(C)NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2281814900 OJEBNOOLCYYIGB-OAHLLOKOSA-N 462.400 2.485 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(C)C[C@H]1COCCN1C(=O)OC(C)(C)C 2281968431 DIOULAPRVHJPND-HNNXBMFYSA-N 481.424 2.459 30 10 JEEE CC(C)(C)OC(=O)NCCN1CCC(NC(=O)c2occc2B2OC(C)(C)C(C)(C)O2)CC1 2282052213 ZIXWPSMZFKZILC-UHFFFAOYSA-N 463.384 2.298 30 10 JEEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)Nc1ccccc1OCc1ccccc1 2282290491 SOCQQWUNKZNCLH-UHFFFAOYSA-N 470.360 2.494 30 10 JEEE CN(Cc1ccccc1)[C@]1(CNC(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)CCOC1 2282513203 ODRQFALYQGIQSL-VWLOTQADSA-N 451.376 2.402 30 10 JEEE CC(C)(C)OC(=O)N[C@@]1(C(=O)O)CCN(C(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2282662490 BJUHHZRNXBBNCO-QHCPKHFHSA-N 460.336 2.180 30 10 JEEE CN1C[C@H](Oc2ccc([N+](=O)[O-])c(B3OC(C)(C)C(C)(C)O3)c2)[C@H](NC(=O)OC(C)(C)C)C1 2283002413 WDPBBVGGFWPSIM-AEFFLSMTSA-N 463.340 2.480 30 10 JEEE CC(C)(C)OC(=O)N1[C@H](C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)C[C@H]2OCC[C@@H]21 2283966134 UAPMLLAWELLZFU-HRCADAONSA-N 479.408 2.225 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CN(c3ncc(B4OC(C)(C)C(C)(C)O4)cc3F)C[C@H]2[C@H]1CO 2284350127 IQZBTJUWRLBFNQ-YXJHDRRASA-N 463.359 2.184 30 10 JEEE Cc1cc(C(=O)N[C@]2(C(=O)O)CCN(Cc3ccccc3)C2)oc1B1OC(C)(C)C(C)(C)O1 2284435770 SJDKMKPQZLMVGB-XMMPIXPASA-N 454.332 2.346 30 10 JEEE CC(C)N1C[C@@H](c2nnc(SCC(=O)NCc3ccco3)n2N=Cc2ccc(O)cc2O)CC1=O 2329022149 YNHOKXMPZFNWCC-INIZCTEOSA-N 498.565 2.297 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2C[C@H]3C[C@@H](C2)[C@@H](CO)[C@H]3NC(=O)OC(C)(C)C)C1 2359248703 UJLFFAHPXCLTCN-MFROVPPZSA-N 477.602 2.273 30 10 JEEE Cn1ncc(C(=O)N2[C@H]3CC[C@@H]2C[C@@H]3CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2359262888 ASRMOBDXLKEJMV-INMHGKMJSA-N 460.384 2.237 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2C[C@H]1C[C@@H]2NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2359267263 XKTXWCGZOSKVGE-OTRWWLKZSA-N 458.368 2.197 30 10 JEEE C[C@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)C[C@H](C)N(C(=O)OC(C)(C)C)C1 2362354871 WWAMVWHZROYOTE-HOTGVXAUSA-N 462.400 2.437 30 10 JEEE COc1ccc(/C=C2/Oc3c(ccc(O)c3CN3CCN(CCO)CC3)C2=O)c(OC)c1OC 33489693 WKQLAINDXPCJJZ-KGENOOAVSA-N 470.522 2.144 30 10 JEEE COc1ccc(OC)c([C@@H]2/C(=C(/O)c3cnc(C)nc3C)C(=O)C(=O)N2CCCN(C)C)c1 102759644 BPRSTCKFAVNVRQ-SADKCHQCSA-N 454.527 2.484 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)C[S@](=O)CC(=O)Nc3cccc(C(C)=O)c3)cc21 586345041 ASTDYGBVVFXSKQ-YTTGMZPUSA-N 454.504 2.371 30 10 JEEE N#C[C@@H](c1ccccc1)N1CCN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)CC1 610509597 BGUQQYKZKKSHLX-QFIPXVFZSA-N 474.608 2.042 30 10 JEEE COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)ON=CC(=O)Nc1cccc(F)c1 852303819 ALJHQRFDBVLGJO-ZDUSSCGKSA-N 466.491 2.053 30 10 JEEE C=CCn1cc(C=NNc2nc(SCC(=O)NCc3ccc(OC)c(OC)c3)n[nH]2)cn1 1083933303 HGGPFVYKDFOPPC-UHFFFAOYSA-N 456.532 2.059 30 10 JEEE COc1ccc(C(=O)CSc2nnc(NN=Cc3cccc(OC)c3O)n2N)cc1OC 1084567562 MSAUXRVQGGWXKF-UHFFFAOYSA-N 458.500 2.144 30 10 JEEE COc1ccc(NC(=O)CSc2nnc(NN=Cc3cccc(OC)c3O)n2N)c(C)c1 1084626677 MKORBQNGOPRQJO-UHFFFAOYSA-N 457.516 2.200 30 10 JEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1CCN(c2ccc(Cl)cc2F)C1 1150855968 CHYHEGMWURGWKU-CJNGLKHVSA-N 450.923 2.413 30 10 JEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1286357098 YHCAGZVPADTERN-UHFFFAOYSA-N 494.625 2.063 30 10 JEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(=O)NCc1ccccc1 1286377058 RFEXWDODBQEALO-FQEVSTJZSA-N 482.585 2.362 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCN1CCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1286380123 AGRJUWUYJUNXQJ-NVXWUHKLSA-N 495.447 2.147 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCSCCCO)CC1 1286469159 AVXPWTMQNYSQPI-UHFFFAOYSA-N 456.616 2.018 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2C[C@@H](C)N(C)C)CC1 1286475074 WOECBUWPQZOGSU-MRXNPFEDSA-N 461.408 2.422 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[C@H](C(F)F)N2CCOCC2)CC1 1286485487 NEWXMFIUZLOKIL-NJDAHSKKSA-N 494.631 2.308 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2C[C@@H](OC)C2CC2)CC1 1286492630 OIZHMCJYYUGURF-OAQYLSRUSA-N 455.534 2.387 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1nncn1CC 1286566421 MEKLXGKCOWXMLJ-UHFFFAOYSA-N 458.592 2.258 30 10 JEEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1286700501 ODKDLBPFMDPKAP-SFHVURJKSA-N 461.563 2.248 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)cc1 1286794079 VTENCGISUPEKQD-FQEVSTJZSA-N 473.599 2.141 30 10 JEEE CC(C)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC2(O)CCOCC2)[C@@H](C)C1=O 1287758342 ALVDXFVGWIADLW-IBGZPJMESA-N 466.586 2.441 30 10 JEEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccnc(N2CCCCC2)c1 1288524529 DRIIOXJXKSZGIW-MJGOQNOKSA-N 457.604 2.352 30 10 JEEE CCS(=O)(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2c(C)noc2C)CC1 1297746617 AXPHMRLFRZVQOQ-UHFFFAOYSA-N 469.571 2.378 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2Cc2ccc(C)n(C)c2=O)c1 1300332783 NYDGEWCIDCWDLR-UHFFFAOYSA-N 455.522 2.385 30 10 JEEE C#CCCCn1c(-c2cccn2C)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1300400113 CSKGRSYYOWBFMG-UHFFFAOYSA-N 456.547 2.347 30 10 JEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1300421786 RIBFPMMFIKYOKP-IBGZPJMESA-N 467.599 2.402 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1C[C@@H]1CCN(CC(F)(F)F)C1)[C@@H]1CCS(=O)(=O)C1 1300483154 IHXCARMBBRXIPL-BRWVUGGUSA-N 461.554 2.303 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H]2CCCN2CC)CC1 1300729442 ZZLHMGSKDHACNP-FQEVSTJZSA-N 455.632 2.084 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1300877581 YRIQDMOYYWEVDL-JBACZVJFSA-N 488.633 2.005 30 10 JEEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1300960755 KCOVDXAVMPGFEO-DLBZAZTESA-N 460.604 2.213 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CN2CCCC2=O)n1C[C@@]1(C)CN(C)C1=O 1301338368 WWARDVCTQCOWHM-XMMPIXPASA-N 452.559 2.080 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c(C)nnc1N1CCN(c2nccn3cnnc23)[C@@H](C)C1)C(C)C 1301366787 IIQINMCBUAULBR-PZJWPPBQSA-N 464.622 2.438 30 10 JEEE C=CCN(CC=C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1301371793 SNAJLSZMFNVDQE-RBUKOAKNSA-N 485.614 2.308 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1301402276 DYWMRXBKVBJMQN-XLIONFOSSA-N 459.572 2.251 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)c2c(F)cccc2F)CC1 1301490679 XQWUSXKEGBHTPJ-UHFFFAOYSA-N 470.480 2.389 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(C(=O)N2CCCC2)n1CCNC(=O)C(C)(C)C 1301772335 HBRXWKQPJYNNFI-UHFFFAOYSA-N 481.601 2.201 30 10 JEEE CC(C)Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC[S@](=O)C(C)(C)C 1302954094 GLCZMLSCJZUXCJ-IAQAZVPISA-N 458.636 2.401 30 10 JEEE COCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1316106911 GZFWGNPMSGKLRO-BGYRXZFFSA-N 465.602 2.090 30 10 JEEE C#CCCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@H](C(N)=O)C1 1358905733 JWEYGRMXWBTAAU-KRWDZBQOSA-N 457.604 2.052 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@](C)(O)[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1358956224 BYZIVHIIWCKKOU-NBQZKYEYSA-N 498.447 2.460 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCC(=O)N1CCCCCC1)[C@@H]1CCS(=O)(=O)C1 1358957788 AIHIORXYKHFRKW-JOCHJYFZSA-N 494.621 2.236 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCC[C@@H]1OC)[C@@H]1CCS(=O)(=O)C1 1358958278 KOJIZRVLJCCVPL-SXLOBPIMSA-N 473.555 2.295 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@@](C)(O)c1ccsc1)[C@@H]1CCS(=O)(=O)C1 1358963778 OAGDBLRPEFGUIF-DYESRHJHSA-N 450.630 2.463 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCCOC2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1358993235 IRUBIBMOMRCFBN-OALUTQOASA-N 453.509 2.288 30 10 JEEE C=C(Br)Cn1c(N2CCn3nc(C)nc3C2)nnc1[C@]1(OC(C)C)CCOC1 1359088814 UUENBRZGIQMQNC-SFHVURJKSA-N 452.357 2.147 30 10 JEEE C=CCC(C)(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCS(=O)CC1 1359184449 PJIDVDIFQOCLDQ-UHFFFAOYSA-N 465.645 2.366 30 10 JEEE C=CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1359214205 VCNBZCJRPNGWKW-UHFFFAOYSA-N 492.628 2.149 30 10 JEEE C=C[C@H](CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1)c1ccccc1 1435136600 MXDOCKKBNXZJHW-QGZVFWFLSA-N 455.536 2.210 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCOC[C@H]2CC(=O)c2cccs2)ccc1F 1445291705 ZOKOCQWYZBGFQT-OAHLLOKOSA-N 452.529 2.466 30 10 JEEE CCN(CCn1c(Cc2ccncc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1)C(C)C 1502201770 GLORXGQRARSWAW-UHFFFAOYSA-N 476.633 2.234 30 10 JEEE COC(=O)N1CCC(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(NC(C)=O)CC2)CC1 1503885937 DFLVPMZSDMLWJZ-UHFFFAOYSA-N 465.558 2.400 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCC[C@@H](O)C1 1504873614 IAJFSDAUNDIZLX-NJYVYQBISA-N 452.559 2.305 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCN(C2CC2)C1 1507522884 YNNMWSOODBTOES-ROUUACIJSA-N 456.616 2.138 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCCc1nnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1507634919 RFIZKTTZHFAPLJ-LJQANCHMSA-N 488.614 2.427 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCO[C@H]2CCCC[C@@H]2C)CC1 1507715672 GPEONPCOKDBGHG-PMACEKPBSA-N 451.575 2.276 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2Cc2c(Cl)c(C(F)(F)F)nn2C)CC1 1507719372 NLAUMSPTOBKLBT-AWEZNQCLSA-N 489.930 2.211 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCN2CCOCC2(C)C)CC1 1507732494 HLAPBLVZCMHTOS-NHCUHLMSSA-N 458.651 2.063 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H]2CCN(CC)C2)CC1 1507740316 LFYBFCIROPKBFK-LJQANCHMSA-N 468.577 2.304 30 10 JEEE C#CCSCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1507744118 HYFACXRWUNHEBE-MRXNPFEDSA-N 462.526 2.469 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1508082341 SGCSPYCXYYWBBG-KRWDZBQOSA-N 457.579 2.279 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2Br)n1CCOCCS(C)(=O)=O 1538993139 FMWOBCCXVGWXQE-CQSZACIVSA-N 455.378 2.227 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1CCC(C)(F)F)[C@@H]1CCS(=O)(=O)C1 1539210054 AKMCOQYTKULLSS-OAHLLOKOSA-N 452.483 2.346 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1Cc1cc(F)cc(OC)c1)[C@H]1CCS(=O)(=O)C1 1539225129 MDQYZQSVGFXHAF-IBGZPJMESA-N 489.598 2.457 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)CC1 1539476070 RSHIRHFDHAQEMT-QGZVFWFLSA-N 469.590 2.494 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1539596256 KIHLEWXAVWBHPR-GOSISDBHSA-N 481.439 2.215 30 10 JEEE C=CCCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1539954861 GXVGEYIDIVCNPO-UHFFFAOYSA-N 484.992 2.421 30 10 JEEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCC(CN2C[C@H](C)O[C@H](C)C2)CC1 1540020990 YLHCUKMFPYAQLU-OYRHEFFESA-N 474.650 2.432 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](C(=O)N[C@H](C)CCC)C1 1540869772 WDQVKELEYRUDIQ-MJGOQNOKSA-N 453.591 2.472 30 10 JEEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1540872639 VVYZDTGLQKVPFQ-KRWDZBQOSA-N 472.540 2.192 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 1540902828 RKWLJOMFERJGKS-UHFFFAOYSA-N 457.600 2.170 30 10 JEEE CC(C)CN1CCC[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCS(=O)(=O)CC2)C1 1541552797 FHHIKSGNIPOLKY-HXUWFJFHSA-N 456.616 2.420 30 10 JEEE COc1ccc(C(C)(C)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1OC 1543120983 FIKSJZDMHSRXLB-UHFFFAOYSA-N 457.552 2.386 30 10 JEEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCCCC2)C1 1547779006 AZUYSYNYRWWGLQ-NRFANRHFSA-N 471.631 2.211 30 10 JEEE CN(CCNS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CC1(N(C)C)CCCCC1 1554303162 AIVLPKINYHNFJB-UHFFFAOYSA-N 459.620 2.067 30 10 JEEE C=CCNS(=O)(=O)c1cccc(C(=O)NC2(CN3CCN(c4ccccc4)CC3)CC2)c1 1557499418 CFQKEIUDKGTGQN-UHFFFAOYSA-N 454.596 2.236 30 10 JEEE C#CCN(C)c1nnc(-c2ccc(Br)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1587936972 DMKHNTVWSBBJRG-MRXNPFEDSA-N 452.378 2.201 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1c(CC)noc1C)[C@H]1CCS(=O)(=O)C1 1588034777 LUDTWJZMAGQKHK-SFHVURJKSA-N 484.538 2.387 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCN1C[C@H](C)O[C@H](C)C1 1588193295 AKYMANDDOVKVBX-OYRHEFFESA-N 483.638 2.311 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1Cc1cc2c(cc1OC)C[C@@H](C)O2 1588574524 KYWPNGPOSBIGBV-QGZVFWFLSA-N 476.537 2.392 30 10 JEEE C#CCN(CCOC)c1nnc(CC(C)(C)C)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1588646478 KZIZORLIVNCPBQ-OALUTQOASA-N 451.637 2.157 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Br)c3)n2Cc2nncn2CC)CC1 1588892206 ZHBITAZWQWYJOM-UHFFFAOYSA-N 497.401 2.333 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2CC[C@@H](C(F)F)N2CCOCC2)CC1 1588907349 AQKBTLAGSANILA-NRFANRHFSA-N 486.567 2.267 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCN1S(C)(=O)=O 1595010280 UYRHCTBUGYJCFU-SJORKVTESA-N 468.624 2.396 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC(N(C)C(C)=O)CC1 1595766083 LWKMBWXMZSAQIX-UHFFFAOYSA-N 497.625 2.383 30 10 JEEE CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1Cc1nccc(C(F)F)n1 1616909219 FCHWCZLKALNEHM-UHFFFAOYSA-N 455.473 2.184 30 10 JEEE C=C(C)C(C)(C)C(=O)N(C)CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 1629339236 RVSBEOFWQRVZMJ-UHFFFAOYSA-N 457.980 2.360 30 10 JEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 1630070018 UWGDHOHJQCXSPZ-CQSZACIVSA-N 450.517 2.247 30 10 JEEE N#Cc1c(Br)cccc1OCC(=O)NCC(=O)N1CCN(c2ccccc2)CC1 1631648871 ADBFXCAKYKUZFL-UHFFFAOYSA-N 457.328 2.165 30 10 JEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C(=O)OC)c2cccc(C(F)(F)F)c2)cc1 1637401259 KJBSPNGWZZMKPE-QGZVFWFLSA-N 454.426 2.261 30 10 JEEE C#CCOc1ccc(CNS(=O)(=O)c2ccc(S(C)(=O)=O)cc2Br)cc1 1662047232 CWXVJSQNSLIUDR-UHFFFAOYSA-N 458.355 2.343 30 10 JEEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCc1cnc2c(Cl)cnn2c1 1690003047 BHIFLPIRRYVMCH-HSZRJFAPSA-N 467.961 2.330 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CC[C@@H](OC)C(F)(F)F)CC1 1690141967 GADULFKGIFFYHQ-QGZVFWFLSA-N 450.465 2.273 30 10 JEEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCN(c2nc(C)cc(OCC)n2)CC1 1690167689 NJXWEJZFVCQTFV-UHFFFAOYSA-N 466.615 2.474 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2OC)n1CCN/C(O)=C1/N=CC=CC1=O 1690214591 PDBAEMMFAHPFJT-KVILIRJJSA-N 476.537 2.384 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(N2CCCCC2=O)CC1 1690236062 HYCLEGRLSQQSTI-WIYYLYMNSA-N 458.607 2.379 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC(=O)Nc1ccccc1 1690265374 NKVIBFHUGXUNKL-IBGZPJMESA-N 476.603 2.042 30 10 JEEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1690473590 AGGQTPAWJLSCLC-KNQAVFIVSA-N 488.658 2.319 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)CC1 1690683302 GYILWOZPXVPGJS-OAQYLSRUSA-N 475.615 2.460 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC(O)(Cc2ccc(F)cc2)CC1 1690731155 BCZFHDDADFRZNW-HXUWFJFHSA-N 478.590 2.444 30 10 JEEE CC(C)NS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](CN2CCCCC2)C1 1692571289 AMALFQXTKJJEEF-NRFANRHFSA-N 485.658 2.457 30 10 JEEE CCN(CC)C(=O)CCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@](F)(C#N)C1 1695586857 CJJNOAYCHIYXRW-QFIPXVFZSA-N 490.609 2.329 30 10 JEEE CNS(=O)(=O)CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@](F)(C#N)C1 1697020252 DJZZKDSYHHFBGK-JXFKEZNVSA-N 450.540 2.026 30 10 JEEE COC[C@@H](Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CC[C@](F)(C#N)C1)OC 1697760252 ANPBVCYQXKLMIV-MWTRTKDXSA-N 469.521 2.339 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1[C@@H]1CCC[C@H](C(F)(F)F)C1)[C@H]1CCS(=O)(=O)C1 1705558903 LJIOYWNDMRWDSA-XHSDSOJGSA-N 475.537 2.337 30 10 JEEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1ccccc1CN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1705560943 OMZOWPMSJOOJGU-NZQKXSOJSA-N 485.654 2.299 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H](C)Oc1ccccc1OC)[C@H]1CCS(=O)(=O)C1 1705563649 BPOJNEXDCXXKJQ-MOPGFXCFSA-N 483.594 2.386 30 10 JEEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@](C)(O)c1ccco1)[C@@H]1CCS(=O)(=O)C1 1705565742 VTUQWRIRKLMXJK-ZHRRBRCNSA-N 458.515 2.212 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1Cc1cc(C)no1)[C@H]1CCS(=O)(=O)C1 1705571043 VHWLCYFWJRQQNX-HNNXBMFYSA-N 461.494 2.119 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@H]1CSCCS1)[C@@H]1CCS(=O)(=O)C1 1705571424 ZEJPHRSIIOMZFC-MOPGFXCFSA-N 480.656 2.483 30 10 JEEE C#CCN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1705610742 BQNYWWYYBKFNGI-HXUWFJFHSA-N 453.572 2.014 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2Cc2ccc(OC)nc2OC)CC1 1705649675 CMTPJUKPHNLMST-UHFFFAOYSA-N 466.586 2.437 30 10 JEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](CC)NC(=O)OC(C)(C)C)CC1 1705763555 XWGWOQNZZLXVEE-JKSUJKDBSA-N 456.613 2.348 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCOc2ncccc2Cl)CC1 1705781639 FFHWQOLIUAFGMW-SFHVURJKSA-N 497.021 2.141 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(F)ccc2Br)nnc1N(C)[C@@H](C)CC(N)=O 1705931068 DNXDMNKBGUYKBX-LBPRGKRZSA-N 488.383 2.148 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 1705937186 LSSFCUXHMOXJSK-UHFFFAOYSA-N 498.609 2.165 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCOC[C@@H]1CCOC1 1722275656 ASSQRABEWRVAFT-MJGOQNOKSA-N 474.631 2.448 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CC[C@H](N1CCOCC1)C(F)(F)F 1722291350 IZQRSJAQOZKADR-YOEHRIQHSA-N 468.480 2.117 30 10 JEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)NC2CCCCC2)CC1 1722333705 YCTHATFVTBJTTC-SFHVURJKSA-N 476.647 2.194 30 10 JEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCCCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1722359103 PYHXWJVSEBJYBK-OAQYLSRUSA-N 469.611 2.164 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccc(SCC)c2)CC1 1722448074 QXPQVLAGRDBDSF-HXUWFJFHSA-N 466.611 2.355 30 10 JEEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1722453845 DRKDTZBWYTUMOR-XMSQKQJNSA-N 497.625 2.209 30 10 JEEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H]1c1nncn1C 1722494323 OVPRADIXFZVEDJ-KKUMJFAQSA-N 452.357 2.381 30 10 JEEE C=CCn1c(COc2ccc(OC)cc2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1722691408 UOOGFJIFDQJZIG-UHFFFAOYSA-N 467.530 2.109 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1722700000 SFPPMWIHCBCRLZ-INIZCTEOSA-N 484.992 2.399 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1722730857 FRYUCZMKRPHJMB-GOSISDBHSA-N 461.588 2.043 30 10 JEEE CCOC1CC(Cn2c(Cc3ccncc3)nnc2N(C)C[C@H](C)C#N)(N2CCOCC2)C1 1728917467 AMSSOHBYTLSLJO-JVIIGWRGSA-N 453.591 2.130 30 10 JEEE COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)N2C[C@H](C)O[C@H](C)C2)CCO1 1730609041 GBPBDDAZNKNAPC-ZRCGQRJVSA-N 498.628 2.468 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCc1cccc(C(N)=O)c1 1740554356 YKQHADBJWYUMIO-GOSISDBHSA-N 458.570 2.252 30 10 JEEE C#CCN(c1nnc(C2CCC2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1740623684 ZHGBCHSDOWPDNE-CMKODMSKSA-N 463.648 2.060 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CCc1sc(C)nc1C)[C@H]1CCS(=O)(=O)C1 1740627141 YMOGCWWNYUOXAM-IBGZPJMESA-N 470.624 2.207 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(Br)cc2)n1CC1(C(N)=O)CCOCC1 1740633560 MBFQLIXMIMMFAI-UHFFFAOYSA-N 456.344 2.063 30 10 JEEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1740721943 YOXZFJMDJOQVAN-MJGOQNOKSA-N 452.540 2.030 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCC2(COC)CCC2)CC1 1740839046 FQEBUDPKXQNXIU-LJQANCHMSA-N 467.636 2.220 30 10 JEEE C=CCCOCCn1c(-c2cccn2C)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1740883298 PJWCIEMDIJRPDC-NRFANRHFSA-N 469.634 2.399 30 10 JEEE C=CCCOCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C 1740887332 CDKWWXQXMFFRIS-INIZCTEOSA-N 460.966 2.121 30 10 JEEE C=CCn1c([C@H](C)OCCOC)nnc1N1CCN(Cc2nc(O)c3ccccc3n2)CC1 1740943292 DMSRMKBECSPMMX-KRWDZBQOSA-N 453.547 2.159 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1740964423 OUQYZNBWMGPLBU-OAQYLSRUSA-N 483.548 2.017 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H](C)CC)nnc2N2CCN(C(=O)C(=O)NC3CC3)CC2)cc1 1740965190 FFURBIVGUZVTLL-SFHVURJKSA-N 466.586 2.332 30 10 JEEE CCS(=O)(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCSCC2)CC1 1747385681 GBVXWYCBDYUOIV-UHFFFAOYSA-N 474.656 2.269 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@@H]1CCO[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1748820096 ZBRCEVYPCSREKH-NSHGMRRFSA-N 460.575 2.450 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@@H]1CCC=CO1)[C@@H]1CCS(=O)(=O)C1 1748821024 LKIJNSUNKJOJFK-CTNGQTDRSA-N 456.568 2.485 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCc1ccc(F)cc1C)[C@H]1CCS(=O)(=O)C1 1748824121 JMEJGPKSVKMHMJ-BVSLBCMMSA-N 490.601 2.319 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2Cc2csc(CC)n2)CC1 1748980090 YZFZIARZGXBHIT-UHFFFAOYSA-N 499.666 2.018 30 10 JEEE C#CCN1CCN(c2nnc(-c3cnccn3)n2C[C@@H](c2c(F)cccc2F)N(C)C)CC1 1748986556 BWWNRORFPHGBJR-FQEVSTJZSA-N 452.513 2.071 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCn2cc(Br)cn2)CC1 1748999260 NLSVEYHTORTFRN-UHFFFAOYSA-N 495.385 2.143 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)CC1 1749016379 CMLPOYRBTJHVAR-LJQANCHMSA-N 495.628 2.485 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(OCCO)c(OC)c1 1749055091 DRHUOZXVMPBPHO-RPBOFIJWSA-N 470.570 2.350 30 10 JEEE C=C(C)COCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(C(=O)NCC)CC1 1749210266 FSTNLXVSHRKIFH-UHFFFAOYSA-N 490.008 2.306 30 10 JEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2cccc(OC)c2)C1 1749426825 IOJXXFDEJSBRQA-LEWJYISDSA-N 491.614 2.164 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCC 1749734009 CVNQDLKAACJMBJ-INIZCTEOSA-N 457.597 2.034 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCN(C3CCC3)C[C@@H](C)C2)nnc1[C@]1(OC(C)C)CCOC1 1749739658 ISMDGMDYZCCANK-YKSBVNFPSA-N 495.690 2.230 30 10 JEEE CC(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)CN(C)C)CC1 1749969226 DGSXVOVAUAITPO-UHFFFAOYSA-N 453.591 2.421 30 10 JEEE C[C@@H]1CN(CCCn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H](C(N)=O)C2)C[C@@H](C)O1 1752397652 GRXJNAZBEPPJHU-DBXWQHBBSA-N 451.575 2.018 30 10 JEEE C#CCN(c1nnc(CSc2ccc(Cl)cc2)n1CC(=O)NCC=C)[C@H]1CCS(=O)(=O)C1 1760192456 JDLNURYRWVQCTQ-KRWDZBQOSA-N 494.042 2.153 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](OC)[C@@H](C)CC)CC1 1760270879 DNXQQYYCEWIBFC-LAUBAEHRSA-N 455.607 2.167 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccn2C)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1760318327 FOBSDIDHCKXJTB-HBFSDRIKSA-N 462.620 2.030 30 10 JEEE C=C(C)Cn1c(N2CCN(CC(=O)N(C)C3CCCCC3)CC2)nnc1[C@]1(OCC)CCOC1 1760349618 SOLSKGKQFJFHGI-VWLOTQADSA-N 474.650 2.419 30 10 JEEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1760406361 BRUZATCFCRLWHN-AWEZNQCLSA-N 494.584 2.386 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H](C)[C@@H]1CC 1760517461 MWVZRBZJEYFGHW-APWZRJJASA-N 460.604 2.122 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCN(c2cccc(OCC)n2)CC1 1760520046 ALSQSEMEFWRRGG-UHFFFAOYSA-N 477.569 2.376 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(C(=O)c3ccccn3)CC2)cc1 1760529578 BNRNDOQIMWWCIG-UHFFFAOYSA-N 489.580 2.387 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cn(C)c3ccccc23)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1760552523 QUURUBWPLNPGLY-IAGOWNOFSA-N 493.655 2.295 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc(Cc2cccnc2)n1CCOc1ccc(S(C)(=O)=O)cc1 1761361289 FFBXVZYLICTAJA-KRWDZBQOSA-N 454.556 2.485 30 10 JEEE C=CCN(C[C@@H](O)c1cccc(OC)c1)C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 1857999236 NECKOGSJBKWZMW-JOCHJYFZSA-N 460.552 2.078 30 10 JEEE COc1ccc(Cc2nnc(N3CCN([C@H](C)C(=O)Nc4ccc(C#N)cc4)CC3)nc2O)cc1 1859429589 HXKYCOYBODJLLM-QGZVFWFLSA-N 473.537 2.197 30 10 JEEE C[C@H](C(=O)NC1CCN(Cc2ccc(C#N)cc2)CC1)N1C(=O)c2ccc(C(=O)O)cc2C1=O 1873724503 PHARCCFAPCZRNJ-OAHLLOKOSA-N 460.490 2.022 30 10 JEEE CC(C)(C)OC(=O)NCCN1CCC(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)CC1 2124681852 WTCJSIFNYMWTDJ-JOCHJYFZSA-N 455.603 2.460 30 10 JEEE Cc1cnc(N2CCS(=O)(=O)CCN2C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2232310901 CMJBWOJSAOXNOW-UHFFFAOYSA-N 467.397 2.076 30 10 JEEE C=C(CS(=O)(=O)N[C@H]1CCO[C@@H](CNC(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2255801385 LWIYLSRGIGYNGH-JKSUJKDBSA-N 460.402 2.166 30 10 JEEE Cc1csc(CNC(=O)C2(NC(=O)OC(C)(C)C)COC2)c1B1OC(C)(C)C(C)(C)O1 2256672587 KGDMMWUQDZHGEQ-UHFFFAOYSA-N 452.382 2.266 30 10 JEEE CC(C)(C)OC(=O)N[C@]1(C)CC[C@@]1(C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2261180507 WLGGMUHIYFKJJU-VQTJNVASSA-N 452.386 2.281 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C(F)(F)C1 2267196948 IANKXHWOJKURLU-CYBMUJFWSA-N 456.299 2.083 30 10 JEEE CC1(C)OB(c2cncc(S(=O)(=O)N(Cc3ccccc3)C3(CO)CCC3)c2)OC1(C)C 2267348299 CUWVLJCUBCEXHA-UHFFFAOYSA-N 458.389 2.487 30 10 JEEE CC(C)(C)OC(=O)NC1(CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)c(F)c2)COC1 2267455091 WYYCYLFGUSOETN-UHFFFAOYSA-N 450.316 2.148 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CCOC[C@H]2NC(=O)OCc2ccccc2)n1 2282005611 QJCOUUGFBITQDI-WOJBJXKFSA-N 498.389 2.016 30 10 JEEE C[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)N(C(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)C1 2282033922 AOPIXSVGEPUZTE-HZPDHXFCSA-N 462.400 2.485 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CCOC[C@@H]1CNC(=O)OC(C)(C)C 2282109868 HXHLGOJWXVCIDZ-KRWDZBQOSA-N 463.384 2.173 30 10 JEEE CC(C)(C)OC(=O)NC1CC(O)(CNC(=O)c2cc(F)ccc2B2OC(C)(C)C(C)(C)O2)C1 2282129884 GXMJMNRHJCSCNZ-UHFFFAOYSA-N 464.343 2.273 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@](O)(CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2282409100 IIZNXAZXBGCWKQ-QHCPKHFHSA-N 464.343 2.227 30 10 JEEE CN1CCN(Cc2ccccc2)[C@@H](CNS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2282424716 GFXNHUHZPRKTJG-IBGZPJMESA-N 491.488 2.142 30 10 JEEE CC(C)(C)OC(=O)NCC1(CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)c(F)c2)COC1 2282470778 ACVKBSNWYXJMFX-UHFFFAOYSA-N 464.343 2.396 30 10 JEEE CC(C)(C)OC(=O)N[C@]12C[C@@H]1CN(S(=O)(=O)Cc1ccccc1B1OC(C)(C)C(C)(C)O1)C2 2282507680 LDVJLBRGBRRCSF-HXOBKFHXSA-N 478.420 2.415 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@@H]3CN(Cc4ccccc4)C[C@H]3C2)n1 2282546330 VBPYVZZRFSBWFH-UXHICEINSA-N 450.392 2.313 30 10 JEEE C[C@H]1CCN(C(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)[C@@H](CNC(=O)OC(C)(C)C)C1 2282569318 PQDWTZXTBBRFNK-JKSUJKDBSA-N 462.400 2.485 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@@H]1CN(CCO)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2282642375 MRBQXAOWCZXFLR-QGZVFWFLSA-N 463.384 2.148 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2282666594 IKVCHWAEOVWWFH-RBUKOAKNSA-N 458.364 2.446 30 10 JEEE COC(=O)[C@@H](CC(=O)Nc1nc(B2OC(C)(C)C(C)(C)O2)ccc1Cl)NC(=O)OC(C)(C)C 2283926136 JPPNNBORCSSKCR-CYBMUJFWSA-N 483.758 2.429 30 10 JEEE CN(C(=O)OC(C)(C)C)[C@H]1COC[C@@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2283965784 TXNXOTXAZNIJFL-HOCLYGCPSA-N 465.331 2.340 30 10 JEEE C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2c(cccc2B2OC(C)(C)C(C)(C)O2)C1 2283974320 UNUSOFHFIYAOPP-HNAYVOBHSA-N 460.380 2.145 30 10 JEEE CC(C)(C)OC(=O)NC1CN(CC(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)c(F)c2F)C1 2283982757 BTNKUKZMGUFOIQ-UHFFFAOYSA-N 467.322 2.411 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2CCc3ccc(B4OC(C)(C)C(C)(C)O4)cc32)C1 2284045570 OOZSOIDRLVHXIQ-XMMPIXPASA-N 458.364 2.247 30 10 JEEE CN(C)CCN(CC(=O)NCc1ccccc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2284067767 RYGGIISUDIHIJP-UHFFFAOYSA-N 461.412 2.401 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@@]2(C1)C(=O)NCCN2C(=O)[C@@H]1C[C@@H]1B1OC(C)(C)C(C)(C)O1 2359279087 WVUXSOUCDHDPEY-VBURHUQHSA-N 463.384 2.197 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N=[S@@](C)(=O)CCN(C)C(=O)OC(C)(C)C)n1C 2362323840 JKAJTFLBHPFSIZ-XIFFEERXSA-N 484.428 2.133 30 10 JEEE CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](Oc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 208073210 WUBVHEXSRLHCFD-ZWKOTPCHSA-N 490.410 2.305 30 10 JEEE C[C@H](C[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)C(C)(C)O 256501481 IJRBORPEVKCEQD-VNSHDTEFSA-N 494.669 2.100 30 10 JEEE biogenic Cc1nn(C(C)C)c(C)c1C=NNc1nc(SCC(=O)Nc2ccc3c(c2)C(=O)NC3=O)n[nH]1 1084251030 PYMPXEXUDRACHC-UHFFFAOYSA-N 481.542 2.259 30 10 JEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)c2cccc(OC)c2OC)CC1 1135797018 SBLLUYYWFCIGOJ-GOSISDBHSA-N 459.543 2.295 30 10 JEEE Cc1nn(C)c(N2CCN(C(=O)C[C@@H]3C(=O)Nc4c(Br)cccc43)CC2)c1C#N 1269302503 AQQWQHOVILOWRB-AWEZNQCLSA-N 457.332 2.137 30 10 JEEE C#CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCN1CCOCC1 1286325375 XNJPGGOKUCLMJB-HXUWFJFHSA-N 476.622 2.158 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1cc(COC(C)(C)C)on1)[C@H]1CCS(=O)(=O)C1 1286391799 GKZBQFLWLHWEEM-HKUYNNGSSA-N 491.614 2.150 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@@H]1CCOC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1286394394 OHMOHJUKCSALQT-JBACZVJFSA-N 472.611 2.177 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CCc1cccnc1)[C@@H]1CCS(=O)(=O)C1 1286395216 LSMZLJRQTLRDKC-OAQYLSRUSA-N 465.579 2.430 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCc1nc(C)no1 1286447048 IMIZZXPFYXBWPK-KRWDZBQOSA-N 459.551 2.370 30 10 JEEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2C[C@@H](c2cccc(OC)c2)N(C)C)CC1 1286481971 LHTILZNWKMIVBX-DEOSSOPVSA-N 459.598 2.331 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2CCCCCS(C)(=O)=O)CC1 1286489602 YVCCOSUFBCEEAT-UHFFFAOYSA-N 457.600 2.126 30 10 JEEE C=CCC(C)(C)Cn1c(Cc2ccccc2OC)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1286672753 HPYUKJGTWJELRP-UHFFFAOYSA-N 496.656 2.461 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)C1CCCCC1 1286758851 WPSHZAOOWMPHLT-KNQAVFIVSA-N 467.636 2.121 30 10 JEEE C=CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H](C)N1CCOCC1 1286765906 WIXNCWATHXNVEO-HNNXBMFYSA-N 453.385 2.395 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCN2C(=O)OC[C@H]2C1 1286779553 JIXBHQPLACUCHM-GDBMZVCRSA-N 460.922 2.015 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CCNc2nccc(C(F)(F)F)n2)C1 1286813417 USKWCCPNCBNAOB-OAHLLOKOSA-N 480.495 2.103 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCO[C@H](CC)C1 1286813759 BFFKRONCPQDCAU-LJQANCHMSA-N 461.588 2.363 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCC(NC(=O)c2ccc(F)cc2)CC1 1286819311 GRAGWNJQWNOWCV-UHFFFAOYSA-N 461.563 2.294 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1286823754 QMXWBRYINQBQEO-GOSISDBHSA-N 475.663 2.051 30 10 JEEE CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)NC(=O)OC(C)(C)C)CC1 1286876024 KMMFSNJUWDAXEA-MRXNPFEDSA-N 453.547 2.398 30 10 JEEE C#CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1300377600 WQICECRYMAHXEN-IPMKNSEASA-N 451.637 2.470 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 1300409337 HRAGATXOBWTWBR-FQEVSTJZSA-N 488.570 2.102 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1Cc1cc(C)ccc1OC(F)F)[C@@H]1CCS(=O)(=O)C1 1300493442 UBFBGRIJKVVUFH-QGZVFWFLSA-N 488.520 2.320 30 10 JEEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1Cc1ccc(C#N)o1)[C@H]1CCS(=O)(=O)C1 1300504516 OFPUWACYZOYOGJ-KRWDZBQOSA-N 481.534 2.005 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CC(C)(C)N2C[C@H](C)C[C@@H](C)C2)CC1 1300729082 MIPPHVRHRJIBEA-NHCUHLMSSA-N 497.688 2.123 30 10 JEEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1300761869 NDSHCJADPYDNCG-HXUWFJFHSA-N 489.667 2.358 30 10 JEEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 1300843451 BMGIOIZBZXHHPO-OAHLLOKOSA-N 468.377 2.178 30 10 JEEE C=C(C)COCCn1c([C@H]2CCCO2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1301001710 MKUKDDRRHHPWPY-CEMLEFRQSA-N 460.623 2.101 30 10 JEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)N(C)c1ccccc1)C1CC1 1301326591 CVBHYHDLGYREMY-GHTZIAJQSA-N 474.631 2.291 30 10 JEEE C=CCN(c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCS(C)(=O)=O)C1CC1 1301326945 JOJBYAZOBXIARM-KRWDZBQOSA-N 469.608 2.176 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](CC2CC2)C1 1301497304 RZXNKWRRCCKDLP-IEBWSBKVSA-N 482.589 2.167 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1301510060 RYNXEGYWZDBDRP-UXHICEINSA-N 452.559 2.024 30 10 JEEE C=CCOc1ccccc1Cn1c(Cn2nc(C)cc2C)nnc1N(C)CC(=O)N1CCOCC1 1301531597 RGQAVFIBTWYCPL-UHFFFAOYSA-N 479.585 2.048 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCO[C@@H](c2ccccc2)C1 1301585441 AWJBVUKDLQLHGI-OAQYLSRUSA-N 453.568 2.443 30 10 JEEE C=CCNc1ncc(C(=O)N2CCN(c3ncc(I)cn3)CC2)s1 1302137913 UQTXVVSABXXAAW-UHFFFAOYSA-N 456.313 2.098 30 10 JEEE Cc1cc(C)n(Cc2nnc(N3CCC[C@](C)(C#N)C3)n2CCc2ccc(S(N)(=O)=O)cc2)n1 1304754234 HFHIEDBLGFPNMZ-HSZRJFAPSA-N 482.614 2.160 30 10 JEEE N#Cc1cc(Cl)ccc1S(=O)(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)C(F)(F)F)CC1 1309495284 CZAHCECRHRIZTK-ZBFHGGJFSA-N 465.881 2.448 30 10 JEEE CO[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1315164702 GTILRVOKXMNXFB-HXUWFJFHSA-N 495.628 2.335 30 10 JEEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)CC(C)(C)CN1CCOCC1 1358923890 FLMWYTWEQJQFCD-UHFFFAOYSA-N 463.590 2.129 30 10 JEEE C#CCN(c1nnc(Cc2c[nH]c3ccccc23)n1CCN(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1358966108 HZSURUNLUPVIGA-FQEVSTJZSA-N 468.627 2.317 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2ccccc2F)n1CC1(N2CCOCC2)CC(OCC)C1 1358980092 IQLHBBMGWWMRIN-UHFFFAOYSA-N 465.573 2.351 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(OC)cc2OC)n1Cc1ccc(C)n(C)c1=O 1359021201 GFRYMEDXWPGGEA-UHFFFAOYSA-N 451.527 2.104 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@@H]2C(F)(F)C23CCC3)CC1 1359041416 VYYRPDVKBPPFCP-AEFFLSMTSA-N 465.545 2.403 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N(C)C1CCC(NC(C)=O)CC1 1359103126 KHPRFYRJTWLRAH-ZGBXNUFFSA-N 458.607 2.265 30 10 JEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCN([C@@H](C)c2nc(C(C)C)no2)CC1 1359126790 ZCTHEUUKSBMODX-IBGZPJMESA-N 486.621 2.496 30 10 JEEE C=CC1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCOCCN(C)C)CC1 1359177461 NLYPNQAHLUFZFJ-UHFFFAOYSA-N 451.575 2.173 30 10 JEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(F)(F)F)CC1 1359216502 XMNFQRYBRZBXOA-HNNXBMFYSA-N 451.515 2.356 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC[C@H](C(N)=O)C1 1359305222 WSQKSQGZONXKBC-ZDUSSCGKSA-N 467.357 2.168 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(N3CCOCC3)c(F)c2)C1 1359312317 RSLQCGBKJMUWEI-LJQANCHMSA-N 472.565 2.222 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CC(C)(C)NC(=O)OC(C)(C)C)C1 1359324402 KNUVDEZGXWCLCS-KRWDZBQOSA-N 462.595 2.485 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C2CCC(C)CC2)CC1 1359336366 NHUHRXRBHFRDGC-XLCOUGHXSA-N 495.690 2.304 30 10 JEEE CC(=O)NC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCCC2(C)C)CCO1 1359446721 HKTSIEBBOIBMEX-RDPSFJRHSA-N 452.559 2.099 30 10 JEEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCc1ccc(OC)cc1 1503108046 AZMLMDLKYOQTFL-GOSISDBHSA-N 462.558 2.443 30 10 JEEE COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(C(N)=O)CCCC2)C[C@H](C)O1 1504734194 GAPGTDNITGITQW-FXAWDEMLSA-N 468.558 2.015 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCN1C[C@H](C)O[C@@H](C)C1 1507529225 QQOZAEMXVJHMHN-FHWLQOOXSA-N 473.647 2.195 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H](OC)c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1507630762 GZXZSHXHKUFSCD-LEWJYISDSA-N 469.542 2.494 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H](C)Cc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1507631563 QSQRVSJJLUTORP-GHTZIAJQSA-N 482.610 2.193 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(OC(C)C)nc2)CC1 1507741085 UQRSAMGNYLFSCF-UHFFFAOYSA-N 490.612 2.336 30 10 JEEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCN(c2nccc(OCC)n2)CC1 1507757112 VAXBGSAYHNPPRP-UHFFFAOYSA-N 464.599 2.146 30 10 JEEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1507775186 WFQYSUALRAQHHB-UHFFFAOYSA-N 487.358 2.155 30 10 JEEE C=C(C)COCCn1c(-c2ccc[nH]2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1507842523 IVGLCHIFYTVNEV-DENIHFKCSA-N 455.607 2.245 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)c2ccccc2OCC)CC1 1508085767 HNSMNYXSADHEKF-UHFFFAOYSA-N 489.580 2.312 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCC[C@H](COC)C1 1508089851 GKHHAQQLPUPCTO-OALUTQOASA-N 492.621 2.142 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCCN(CCC)C(=O)C1 1508135191 KXCDEZQTBNLVGB-UHFFFAOYSA-N 499.435 2.085 30 10 JEEE C[C@@H]1SCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCN(S(C)(=O)=O)C2)[C@@H]1C 1512584319 AOHUJIBSQRCLHK-RYRKJORJSA-N 460.629 2.428 30 10 JEEE CCO[C@H]1C[C@@H](N(C)c2nnc(-c3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)C1(C)C 1516376252 FWQKLRDONLBIKZ-UXHICEINSA-N 472.615 2.492 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCCO3)n2C[C@@H]2CCS(=O)(=O)C2)c1 1539043191 OAWIRSMWNVZMAL-ICSRJNTNSA-N 471.583 2.011 30 10 JEEE C#CCN(c1nnc(-c2ccccc2)n1Cc1csc(COC)n1)[C@@H]1CCS(=O)(=O)C1 1539211961 QKJPYDMFURPSOM-GOSISDBHSA-N 457.581 2.223 30 10 JEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(=O)N(C)Cc1ccccc1 1539266724 ROPKCWJNQYSSPI-UHFFFAOYSA-N 482.592 2.184 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccccc2OC)n1CC1(O)CCN(C(C)C)CC1 1539279051 RVGHITHBDLMFRU-UHFFFAOYSA-N 451.571 2.174 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1ccc(C)n(C)c1=O 1539362332 XQBBRYBVGCXUAI-UHFFFAOYSA-N 457.538 2.190 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H](OC)[C@@H](C)CC)CC1 1539434612 PTRKOZNRHXBWJM-GHTZIAJQSA-N 459.616 2.165 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2nccn2C(F)F)CC1 1539434875 WRXLFCVQGGDPOO-UHFFFAOYSA-N 465.306 2.431 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@H](C(C)C)N2CCOCC2)CC1 1539470722 XGADBVQWVXYWBR-NRFANRHFSA-N 468.602 2.169 30 10 JEEE C=CCC(C)(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(OCC(N)=O)CC1 1539912777 RHPVKTMVFLDLPI-UHFFFAOYSA-N 489.646 2.311 30 10 JEEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1540013852 XVACNFARFQTREG-UHFFFAOYSA-N 472.615 2.186 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2noc3c2COCC3)n1CCS(C)(=O)=O 1540120362 DAQBGFTWGLOKAH-UHFFFAOYSA-N 468.539 2.115 30 10 JEEE CSc1nc(C2CC2)nc(C)c1C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1540728284 BLRXDNMAZJWERQ-UHFFFAOYSA-N 457.581 2.403 30 10 JEEE C=CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC(C(=O)NCCCOC)CC1 1540857092 XCUSGPRDPJRNOZ-UHFFFAOYSA-N 479.585 2.230 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1540875710 VRRFCTYGRNNYIS-OALUTQOASA-N 454.600 2.428 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](n2cncn2)C1 1540879960 SPWFXGZGVGHEFI-LJQANCHMSA-N 450.547 2.462 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N(C)Cc1cccc(Br)c1 1540897265 FQUQZRFKGDHJDI-UHFFFAOYSA-N 484.420 2.416 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N(C)[C@H](C)c1ccc([S@@](C)=O)cc1 1540901468 FAMXLBPCJVAELT-RKXCMPKHSA-N 474.612 2.271 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@H]1CCOC[C@@H]1C 1545920826 AJQQNOKACNEMTM-GBESFXJTSA-N 495.632 2.246 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)ccc1F 1566387176 AMOBJYCWDJBOAV-UHFFFAOYSA-N 458.515 2.375 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)N(CC)CC)c1 1587683853 OXNQCXQAUQGNAJ-LJQANCHMSA-N 465.602 2.301 30 10 JEEE C#CCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 1587823792 ZDEVCKYECWNSQY-NRFANRHFSA-N 470.599 2.107 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@]1(C)CCCO1)[C@@H]1CCS(=O)(=O)C1 1588034437 FZZQACGCWXEJSM-JPYJTQIMSA-N 474.583 2.158 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H](OC)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1588044975 DQHJHRXXCLGRNP-RXVVDRJESA-N 488.610 2.404 30 10 JEEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2CCNC(=O)c2cccs2)CC1 1588864892 LHJGXOVFBQRGGR-UHFFFAOYSA-N 464.595 2.146 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2C[C@](C)(O)CCOC)CC1 1588899822 XLOQEENPEPCENB-AREMUKBSSA-N 491.596 2.089 30 10 JEEE C#CCSCCn1c(-c2ccc3ccccc3n2)nnc1N1CCC(OCC(N)=O)CC1 1589036368 DXOBVONJODJPIZ-UHFFFAOYSA-N 450.568 2.330 30 10 JEEE C#CCSCCn1c(-c2cccnc2)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 1589048225 YRJJDHMSGUGJER-UHFFFAOYSA-N 461.595 2.467 30 10 JEEE C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](CC(C)C)C1 1589404066 GRPKFOFUKMENCA-CVEARBPZSA-N 476.441 2.392 30 10 JEEE C=CCCOCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1594813213 QOYHDZOQZPYFND-AQNXPRMDSA-N 495.621 2.419 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N1CCN(CCOC)[C@H](CC)C1 1595517215 TVEBOMPLTOBAOC-HXUWFJFHSA-N 463.586 2.343 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(N2CCCCC2=O)CC1 1595601949 BGSVPEQOHMNIGK-DENIHFKCSA-N 472.634 2.480 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CCc2nccc(C(F)(F)F)n2)C1 1595743467 BCZLZMDKDHNIMO-OAHLLOKOSA-N 465.480 2.233 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1595777795 QHOZNRDSCFQGOL-UHFFFAOYSA-N 463.567 2.139 30 10 JEEE CCN(CC)C(=O)CN1CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnn(CC)c2)CC1 1615325288 GSWGDMKWNCWDSU-UHFFFAOYSA-N 489.628 2.462 30 10 JEEE CCN1C[C@@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2CCCN(C)S(=O)(=O)CC)C[C@@H]1C 1615760017 GUYQFYYKKDTRED-RBUKOAKNSA-N 473.647 2.407 30 10 JEEE CCOc1ccc(-c2nnc(N(C)[C@@H](C)CC#N)n2C[C@@H]2CCN(S(C)(=O)=O)C2)cc1OC 1616330525 ARRJRUYBXHVLHC-DLBZAZTESA-N 476.603 2.372 30 10 JEEE C#CCNS(=O)(=O)c1ccc(C(=O)N(C)C[C@H](O)c2cccc(Br)c2)cc1 1626436033 GDEWUMUURDUWTJ-SFHVURJKSA-N 451.342 2.166 30 10 JEEE CC(=O)N(c1nc(CN2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cs1)c1ccc(F)cc1F 1658963559 JQWGTSLMAQOOAV-DJJJIMSYSA-N 452.508 2.476 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2CC2(C(N)=O)CCCC2)c1 1689872371 WTAUPJKSWDDNQK-IBGZPJMESA-N 464.570 2.274 30 10 JEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)OCc2ccccc2)CC1 1689875228 NIUZIKSMHIWMTD-LJQANCHMSA-N 488.614 2.151 30 10 JEEE C#CCCCn1c(COc2ccccc2OC)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1689940263 SPWBTTHJWYEANZ-NRFANRHFSA-N 480.613 2.412 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCOC)[C@@H]1CCS(=O)(=O)C1 1689979618 FDVQZZJOHSZASZ-DOTOQJQBSA-N 452.964 2.345 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CC1(COC)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1689994048 PUVVJJDBQNWHMA-OAQYLSRUSA-N 471.627 2.488 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCOC[C@H]2CCOC2)CC1 1690140156 OAYIDXLJWHZQNS-OAQYLSRUSA-N 476.581 2.226 30 10 JEEE C#CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](OCCOC)C1 1690174375 BUPOOLJKYTWIIW-RBUKOAKNSA-N 495.646 2.195 30 10 JEEE C=C(Br)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1690222215 NSNOBQXMVPBBOG-PBHICJAKSA-N 494.415 2.220 30 10 JEEE C=C(Cl)Cn1c(N2CCCN(CC(=O)N3CCCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1690358742 JTCYRINRSASSOW-HSZRJFAPSA-N 481.041 2.206 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCOc2ccc(Cl)cc2)CC1 1690375906 WVGQDRHFKSCNBW-IBGZPJMESA-N 482.006 2.500 30 10 JEEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1690506032 APMRYGZXGVRZEQ-UHFFFAOYSA-N 485.614 2.091 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCO[C@H]1c1ccccc1 1690527155 KGQOLVACXDHPFS-ACRUOGEOSA-N 475.615 2.401 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cnn(C)c1 1690624184 IWDPIVJASVLRFA-GOSISDBHSA-N 461.567 2.007 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H](C)c1cc2ccccc2o1 1690659643 ZAVOZJZNRYCHEI-CABCVRRESA-N 460.560 2.134 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](OCC(C)C)C1 1690672060 GNSPPCWFOYLRMO-RTBURBONSA-N 492.621 2.140 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1690675871 IBPDYCJFHRJHDD-UHFFFAOYSA-N 490.008 2.443 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Br)cc3)n2CCS(=O)(=O)N(C)C)C1 1690690302 VZSRPNQVDLDNSX-KRWDZBQOSA-N 484.420 2.380 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1690720791 SHUQCPNKICMDHT-IXFSTUDKSA-N 476.599 2.327 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1690724723 VGPPAYXLLMSFDA-IBGZPJMESA-N 465.620 2.102 30 10 JEEE C[C@]1(C#N)CCCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1692842076 AEUYSKYNLIUVLQ-WOJBJXKFSA-N 467.954 2.417 30 10 JEEE C#CCN(c1nnc(C(C)C)n1Cc1cccc(C(=O)NCCC)c1)[C@H]1CCS(=O)(=O)C1 1705560621 LXQQESPATXUXSD-FQEVSTJZSA-N 457.600 2.216 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1CCCN1CCCO[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1705563964 ILHSZVVLQMCXJN-YADHBBJMSA-N 485.654 2.381 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@@H]1CSCCS1)[C@@H]1CCS(=O)(=O)C1 1705565812 WMESAYUNKJVHJH-IAGOWNOFSA-N 478.665 2.429 30 10 JEEE C#CCN(c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H](OC)C(C)C)[C@H]1CCS(=O)(=O)C1 1705567385 VVPYKWUOBBFWRW-YYWHXJBOSA-N 474.583 2.088 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3ccc4ccccc43)n2CCNC(=O)C(C)(C)C)CC1 1705651207 NRFVZPJPSIQURY-UHFFFAOYSA-N 489.624 2.409 30 10 JEEE C#CCSCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC(=O)N(C)C[C@@H]1C 1705655705 PLTZGMPHRWXPII-HNNXBMFYSA-N 459.572 2.004 30 10 JEEE C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1ccco1 1705689083 XXNJAQTXZFYQPS-GOEBONIOSA-N 486.392 2.454 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1705895472 HYECPMKOBHMAFD-SUMWQHHRSA-N 469.464 2.421 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1705900089 PYSIEWHAFUGFAU-SFHVURJKSA-N 454.575 2.245 30 10 JEEE C=CCOc1ccc(Cn2c(N3CCC[C@H](C(N)=O)C3)nnc2[C@@]2(OCC)CCOC2)cc1 1705911010 VOQJGDKXEVIAAW-YADARESESA-N 455.559 2.245 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1705931990 HHHYKMBLTCYGHE-UHFFFAOYSA-N 481.557 2.278 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(CN2CCOCC2)CC1 1705933972 XRFBXPOJAPPNKU-UHFFFAOYSA-N 495.049 2.143 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2cccc(O)c2)CC1 1705935972 HHORAQKJJHLOAV-FQEVSTJZSA-N 461.588 2.153 30 10 JEEE Cc1nc(C)n(C[C@H]2CCCN(c3nnc(-c4ccc(C#N)cc4)n3CC(=O)NCC(F)F)C2)n1 1707836465 CSFSXQNZNPFOAH-SFHVURJKSA-N 483.527 2.323 30 10 JEEE CCN(C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)NC)C1)CC(F)(F)F 1710126106 GUOKOBFOOIGQKP-KRWDZBQOSA-N 499.563 2.076 30 10 JEEE COC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCSC2(CCOCC2)C1)OC 1712160918 GSUSCIOUWLEVNM-HXUWFJFHSA-N 473.599 2.493 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2CC2([S@@](C)=O)CCC2)c1 1722306331 IUEJRGOIACMFNR-AYLZSAKASA-N 455.584 2.487 30 10 JEEE C#CCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC(NS(C)(=O)=O)CC1 1722329477 GVFMCBIYWFNRMC-UHFFFAOYSA-N 453.572 2.062 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC(C)(C)c1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1722362405 UBQGVNYQNQVVJM-FQEVSTJZSA-N 482.610 2.292 30 10 JEEE C#CCN(c1nnc(CN2CCCC2=O)n1CCCCc1ccccc1)[C@H]1CCS(=O)(=O)C1 1722370966 GFEBGVCKSSIUDC-NRFANRHFSA-N 469.611 2.050 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](CC=C)c1ccccc1 1722412589 BPLAKLNLOMERNS-NHCUHLMSSA-N 457.600 2.430 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccc(C)n2)n1CC1(O)CCS(=O)(=O)CC1 1722419416 AFOYZPZTPQSWPV-UHFFFAOYSA-N 483.569 2.367 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@H](OC)[C@H](C)CC)CC1 1722434246 ODGJYXRVCFRMFI-KNQAVFIVSA-N 488.658 2.012 30 10 JEEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(OCC(F)(F)F)cc2)CC1 1722438719 ZQBMIQMPNMEZOK-UHFFFAOYSA-N 459.476 2.423 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cccc(F)c2)CC1 1722440348 DJKYLIMGYXFWOU-UHFFFAOYSA-N 461.501 2.079 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccccc2COC)CC1 1722444334 XGKLLXLPEHALBB-SANMLTNESA-N 481.597 2.091 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](CC)Oc2ccccc2F)CC1 1722448724 YELYWDSAXUMQII-AZUAARDMSA-N 482.560 2.192 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2CCN2CCCCCC2)CC1 1722449480 KIKURJRYNUVZNY-UHFFFAOYSA-N 497.669 2.111 30 10 JEEE C#CCSCCn1c(-c2ccc(C)o2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1722454801 FFSVRSRFJUZJBL-UHFFFAOYSA-N 456.616 2.347 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1722466010 IYXNDKIOOCXNHJ-MFSJNOQSSA-N 490.674 2.393 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCSc2nccs2)CC1 1722565839 CMBHQVOFCVZVLV-INIZCTEOSA-N 484.673 2.406 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c(N2CCN(C(=O)C(=O)NC(C)C)CC2)nnc1C(C)(C)C)C(C)C 1722664851 IKKXMERHTKFCHV-OAQYLSRUSA-N 487.693 2.447 30 10 JEEE C=CCSCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC(=O)N(C)[C@H](C)C1 1722731984 FLNSTUCXSWYSCQ-OAHLLOKOSA-N 477.660 2.133 30 10 JEEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2nc(O)c3ccccc3n2)CC1 1740564911 BVXINYRASFSZBB-UHFFFAOYSA-N 476.585 2.191 30 10 JEEE C#CCCCn1c(N2CCN(C(=O)c3ccccc3O)CC2)nnc1[C@]1(OCC)CCOC1 1740596523 HPZWHRQYGLEKFF-DEOSSOPVSA-N 453.543 2.012 30 10 JEEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1740597696 XGEQFOYPXJMFCL-SJORKVTESA-N 451.593 2.387 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(O)(Cc2cccc(C)c2)CC1 1740717363 QIPRFCQLJGBAPM-NRFANRHFSA-N 488.679 2.429 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1CCCS(=O)(=O)Cc1ccccc1 1740729977 OZKKFJUSWQNWPQ-WMZHIEFXSA-N 455.584 2.226 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1740751584 MBOIPRRRKLLSPW-HJNYFJLDSA-N 491.633 2.059 30 10 JEEE C=C1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC(=O)NCC(F)(F)F)CC1 1740824858 CXLPLTSSDKEPBT-HNNXBMFYSA-N 488.511 2.421 30 10 JEEE C=CCN(c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(C(N)=O)CCCC1)C1CC1 1740908283 RMMVFHYASRIIQW-UHFFFAOYSA-N 472.615 2.396 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](NC(=O)CC)C1 1740969104 KHHWSSADKOFIHW-UXHICEINSA-N 487.626 2.288 30 10 JEEE Cc1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)no1 1742128124 DLWKBZDPFZLCCB-SFHVURJKSA-N 469.571 2.269 30 10 JEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CCC(=O)N(CC)CC)CC1 1748752377 VYUZYBMUXVFSMQ-FQEVSTJZSA-N 463.648 2.459 30 10 JEEE C#CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1C[C@@H]1CCS(=O)(=O)C1 1748776679 LSWRBXDMPLYGIM-ZDUSSCGKSA-N 453.362 2.220 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccc(Br)cc2)n1C[C@]1(C)CN(C)C1=O 1748855907 LQZJKMHJXQNFOL-NRFANRHFSA-N 456.344 2.171 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CCc2ccc(NC(C)=O)cc2)CC1 1749017249 YJVJYMHKVQXGSU-UHFFFAOYSA-N 485.592 2.431 30 10 JEEE C=CCCOCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1749448752 BMRSDPIVBPSCMV-UHFFFAOYSA-N 487.004 2.462 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1749655040 BCCQFSGKDAHZLS-SJORKVTESA-N 491.365 2.396 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]1c1cccc(F)c1 1749734969 PADKSUTUOAQPDH-HKUYNNGSSA-N 482.603 2.262 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCOC3(CCCC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1749740328 UPGHWSBVVYPELV-QFIPXVFZSA-N 468.620 2.069 30 10 JEEE CC(C)(C)NC(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@](F)(C#N)C1 1750484950 DQARSXSTGBXWTL-NRFANRHFSA-N 462.551 2.095 30 10 JEEE Cc1ccc(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CC(=O)N2CCOCC2)s1 1751526175 FAUUQWXXSODOSS-UHFFFAOYSA-N 466.567 2.442 30 10 JEEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1760148276 URMISHSSBWCCLJ-UHFFFAOYSA-N 457.336 2.036 30 10 JEEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C2CCOCC2)CC1 1760155161 RLFOXJHVDZPJBT-NRFANRHFSA-N 488.633 2.301 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@H](C)N1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1760185438 XCHDYTDEWIOLNU-VQTJNVASSA-N 458.632 2.031 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@H]1OCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1760192924 POAFSERJMTUVMQ-FUHIMQAGSA-N 462.547 2.048 30 10 JEEE C#CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CCOC[C@@H]1C 1760243781 FDZHOVBXJOWXTO-HKUYNNGSSA-N 474.631 2.305 30 10 JEEE C#CCN1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CCN(C(C)C)C(C)C)CC1 1760259461 BQRARVNTFNAGIK-UHFFFAOYSA-N 486.690 2.112 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1760313397 NPSXEXKWPUGYTC-TZIWHRDSSA-N 484.576 2.499 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(OC2CCCC2)CC1 1760346339 UIIGOMOBYQGQRQ-LJQANCHMSA-N 453.609 2.115 30 10 JEEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(S(=O)(=O)c2ccccc2)CC1 1760346430 ZEQNLPZNWOWJKB-KRWDZBQOSA-N 464.613 2.199 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CCCN(CC)C(=O)C1 1760517255 HVNCXDSRADXLTA-UHFFFAOYSA-N 491.390 2.077 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1760526366 LZBJCVYRGBXZSS-FQEVSTJZSA-N 454.575 2.081 30 10 JEEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCC(C(=O)N2CCCC2)CC1 1760527159 NXRUBPWNXHDGON-UHFFFAOYSA-N 450.587 2.204 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1760527671 FEUMUQJSGXBARJ-OAQYLSRUSA-N 479.368 2.183 30 10 JEEE CC(C)(C)Cc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@H]1CCCS(=O)(=O)C1 1760759091 GUMGMNMTRARIFS-IBGZPJMESA-N 471.631 2.285 30 10 JEEE CCN(CC)C(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)OC)CC1 1764902595 DFDQEPABAOOLDL-SFHVURJKSA-N 455.563 2.347 30 10 JEEE CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CCS1 1765246196 DOAMSOXXNUMFGX-PKOBYXMFSA-N 460.629 2.430 30 10 JEEE CCC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1765462204 CSZUKZDDJLFSEU-BWKNWUBXSA-N 482.585 2.107 30 10 JEEE Cn1nncc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 1769086975 GOJKHUOJGJDZJM-GOSISDBHSA-N 461.574 2.372 30 10 JEEE CC(=O)N1CCc2cc(-c3nn(-c4ccc(N5CCOCC5)cc4)cc3/C=N\NC(N)=S)ccc21 1857807373 FEOOUMHJESVPEN-DICXZTSXSA-N 489.605 2.452 30 10 JEEE N#Cc1ccccc1S(=O)(=O)N1CC[C@@H](C(=O)N2CCN(C/C=C/c3ccccc3)CC2)C1 1858422170 NUQFVPFPAKLZAV-MFJULSPGSA-N 464.591 2.426 30 10 JEEE O=C(/C=C/c1ccc2c(c1)OCCO2)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 1860731113 YDDDIPGTJPKFAW-ORCRQEGFSA-N 492.937 2.353 30 10 JEEE CN1CCC[C@@H]1C(=O)N1CCN(c2ccc(C(=O)Nc3ccccc3C#N)cc2[N+](=O)[O-])CC1 1860901920 NDJKGUBSGCHWET-OAQYLSRUSA-N 462.510 2.462 30 10 JEEE C=CCNC(=O)[C@@H](Cc1ccc(OC(C)=O)cc1)NC(=O)c1cc(OC)c(OC)c(OC)c1 1861064424 QZHKBCBBNAOLQU-LJQANCHMSA-N 456.495 2.281 30 10 JEEE CN1CCN(C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)C2CCN([C@@H](C#N)c3cccs3)CC2)CC1 1868782449 IWHFFKHYFUPKNK-GOTSBHOMSA-N 495.649 2.232 30 10 JEEE CC(=O)N(CCN)C(=O)[C@H](Cc1ccccc1)NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1 1868794752 GASCMRKIWCMBPR-VXKWHMMOSA-N 481.622 2.086 30 10 JEEE CC(=O)N1CCN(Cc2cc(=O)c(OCc3ccc(C#N)cc3)cn2C[C@@H]2CCCO2)CC1 1870348663 HDPWYCDYGOTZGT-QHCPKHFHSA-N 450.539 2.142 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)Nc2cc(OC)ccc2OC)cn1C[C@H](C)O 1870737965 OWXNCAJPVOECAH-SFHVURJKSA-N 471.554 2.438 30 10 JEEE COCCc1nnc(SCC(=O)NCc2ccco2)n1/N=C/c1cc(OC)c(OC)cc1OC 1874470746 OXFRYFRZCOIZHA-WYMPLXKRSA-N 489.554 2.377 30 10 JEEE COc1ccccc1OCC#CCNC(=O)[C@H]1SCC(=O)N(C2CC2)[C@@H]1c1cccnc1 1889466274 QVPXRHLMBMJZSH-PKTZIBPZSA-N 451.548 2.436 30 10 JEEE CC(C)N1C(=O)CS[C@H](C(=O)N2CC(Cn3nc4c(cc3=O)CCC4)C2)[C@@H]1c1ccc(C#N)cc1 1889648347 ZBKYIYIBNJNQGF-DQEYMECFSA-N 491.617 2.156 30 10 JEEE COc1cc2nc(N(C)CC(=O)N3CCC[C@@H](Oc4nccnc4C#N)C3)sc2cc1OC 1892005061 JLLTVWIBRHWGNB-CQSZACIVSA-N 468.539 2.481 30 10 JEEE C=C(Br)CS(=O)(=O)N=[S@](C)(=O)N1CCCN(C(=O)OC(C)(C)C)CC1 2054336250 BYZDRFAHTCPQQO-DEOSSOPVSA-N 460.416 2.180 30 10 JEEE C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]1(O)C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 2068509535 CEXZYZIDAIXGPP-OIMWQHCXSA-N 451.564 2.312 30 10 JEEE COC(C)(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2180990238 CWTSEMLQFUUZFC-HNNXBMFYSA-N 464.372 2.423 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)s1 2255852591 GJBUUJIMGJYUKQ-GJZGRUSLSA-N 452.382 2.066 30 10 JEEE CCc1nn(C)c(C(=O)N[C@@H](C)CN(C)C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267136402 KEHFLZYDEMZFID-AWEZNQCLSA-N 450.389 2.267 30 10 JEEE Cn1nc(C(=O)N2C[C@@H]3C[C@H](C2)N3C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2267179146 MDBWLRHMHLVOLW-BETUJISGSA-N 466.775 2.207 30 10 JEEE CN(C1CN(C(=O)OC(C)(C)C)C1)S(=O)(=O)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2267470886 CDGSYGXOBOVREG-UHFFFAOYSA-N 466.409 2.367 30 10 JEEE CC1(C)OB(c2sccc2CS(=O)(=O)N2CC[C@](C)(NC(=O)C(F)(F)F)C2)OC1(C)C 2267471283 RLAGNGBQQPGVNH-KRWDZBQOSA-N 482.355 2.020 30 10 JEEE CC(C)(C)OC(=O)NCC1CN(S(=O)(=O)Cc2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267474010 NOGCHDJLGWYJHH-UHFFFAOYSA-N 466.409 2.272 30 10 JEEE CN(C[C@@H]1COCCN1C(=O)OC(C)(C)C)C(=O)c1ccoc1B1OC(C)(C)C(C)(C)O1 2267558329 ALEPGLBBHYQGFU-OAHLLOKOSA-N 450.341 2.287 30 10 JEEE Cc1cc(C(=O)N2C[C@H](O)C[C@@H]2CNC(=O)OC(C)(C)C)sc1B1OC(C)(C)C(C)(C)O1 2267603018 WGNJZXXIOHNZQQ-HUUCEWRRSA-N 466.409 2.456 30 10 JEEE CC1(C)OB(c2cncc(S(=O)(=O)NC[C@@H]3CCN(Cc4ccccc4)C3)c2)OC1(C)C 2267721908 SMDVZQRERBFLGI-IBGZPJMESA-N 457.405 2.181 30 10 JEEE CC1(C)OB(c2cc(C(=O)NCC3CN(C(=O)OCc4ccccc4)C3)c(O)cc2O)OC1(C)C 2267811876 SKHWKVBELVJTNI-UHFFFAOYSA-N 482.342 2.395 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(CNC(=O)[C@H]2C[C@@H](O)CN2C(=O)OC(C)(C)C)s1 2268646674 KTCDBLHTUQIMLG-GDBMZVCRSA-N 466.409 2.342 30 10 JEEE CN(C)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1Oc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2269068100 BABXRXYCYGXCGQ-SJORKVTESA-N 451.348 2.448 30 10 JEEE CN(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)[C@@H](CNC(=O)OC(C)(C)C)C(F)(F)F 2282041828 BUUPGSZDSODWLI-ZDUSSCGKSA-N 476.305 2.247 30 10 JEEE Cn1nc(C(=O)N2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2282053115 SKJHXPZCDQFJFJ-ZIAGYGMSSA-N 480.802 2.312 30 10 JEEE Cc1c(B2OC(C)(C)C(C)(C)O2)cccc1C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O 2282111192 QURIKGNINPWSKO-QFBILLFUSA-N 460.380 2.252 30 10 JEEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2282171438 KDBOAYUMZCWNDY-LDLYASANSA-N 451.380 2.040 30 10 JEEE CN(C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)[C@@H](CNC(=O)OC(C)(C)C)C(F)(F)F 2282185615 JKTGHLXAPHQACL-ZDUSSCGKSA-N 474.289 2.303 30 10 JEEE CN(C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1F)[C@@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2282544571 GFNGLWHCJACGOA-JLVBRIDZSA-N 461.343 2.457 30 10 JEEE Cn1cc(C(=O)N2C[C@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]3C2)nc1B1OC(C)(C)C(C)(C)O1 2282547976 UMMSPRAOMGJUIN-HZPDHXFCSA-N 460.384 2.048 30 10 JEEE Cc1nn(C)c(C(=O)NCCC2(CNC(=O)OC(C)(C)C)CC2)c1B1OC(C)(C)C(C)(C)O1 2282556170 DHPFWLVCEHHNIZ-UHFFFAOYSA-N 462.400 2.453 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C 2282581179 DPYGATMWEAEDBK-HOCLYGCPSA-N 462.400 2.261 30 10 JEEE C[C@@H](CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 2282614405 IKMQPQSPSFAMOB-WNSKOXEYSA-N 463.384 2.052 30 10 JEEE CC1(C)OB(c2scnc2CS(=O)(=O)N2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)OC1(C)C 2282843941 VCIRASWPBYGEMJ-OALUTQOASA-N 489.472 2.478 30 10 JEEE Cn1cc([C@@H](NC(=O)OC(C)(C)C)C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)cn1 2283985821 AOAVJWYOAQSWOW-QGZVFWFLSA-N 457.340 2.319 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](CC(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)OCC1(C)C 2284144984 DVIGOVRSAZLYII-CYBMUJFWSA-N 482.412 2.002 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N1CC[C@H](NC(=O)C(F)(F)F)C[C@@H]1C 2285210532 JPWORMQGIYABMA-ZFWWWQNUSA-N 455.286 2.361 30 10 JEEE CCOc1ccc([C@@H]2C(=C(O)c3ccc([N+](=O)[O-])cc3)C(=O)C(=O)N2CCOCCO)cc1 2296943338 MMBJMPORIYBMPK-HXUWFJFHSA-N 456.451 2.424 30 10 JEEE C#CCOc1cn(CCN2CCOCC2)c(CN2CCN(CC=Cc3ccccc3)CC2)cc1=O 2328905999 BGDFMJAGVQKMSS-UHFFFAOYSA-N 476.621 2.024 30 10 JEEE COc1ccc(CCNC(=O)CSc2n[nH]c(N/N=C/c3cc([N+](=O)[O-])ccc3O)n2)cc1 58997525 JCQWOQCHMBCZJD-SSDVNMTOSA-N 471.499 2.324 30 10 JEEE CCOc1cc([C@@H]2C3=C(O)N=C(NCc4ccc5c(c4)OCCO5)NC3=NC(=O)[C@H]2C#N)ccc1O 72472488 MVPVQQMADJMRCO-YWZLYKJASA-N 489.488 2.243 30 10 JEEE CCOC(=O)COc1ccc(C=NNc2nc(N3CCCC3)nc(N3CCCC3)n2)cc1OC 252629207 UBCGWDSQIDGTEV-UHFFFAOYSA-N 469.546 2.469 30 10 JEEE CCOC(=O)[C@@H]1CCCN(c2nc(O)c3c(n2)NC(=O)[C@@H](C#N)[C@@H]3c2cccc([N+](=O)[O-])c2)C1 256034302 ZYGPZHGEAWRBJE-KBMXLJTQSA-N 466.454 2.094 30 10 JEEE CCc1cccc(OC[C@H](O)Cn2c(NN=Cc3ccccc3)nc3c2c(O)nc(=O)n3C)c1 606629744 FECZHDUWFGTQKD-GOSISDBHSA-N 462.510 2.284 30 10 JEEE Cc1ccc(-n2c(=C(C#N)C(=O)NCC(C)C)sc(=Cc3cnn4ccccc34)c2=O)cc1C 729672087 WHLLQHUGMWSLSP-UHFFFAOYSA-N 471.586 2.439 30 10 JEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCc3ccnc(-n4ccnc4)c3)nnc12 917492495 FGAMFWYHDNBYIQ-UHFFFAOYSA-N 472.534 2.219 30 10 JEEE CCCSc1nnc(NC(=O)CSc2n[nH]c(NN=Cc3cn(C)nc3C)n2)s1 1083914283 HIOXPZWRXXOGPI-UHFFFAOYSA-N 452.595 2.377 30 10 JEEE COc1ccc(OC)c(NC(=O)CSc2nnc(NN=Cc3ccccc3OC)n2N)c1 1084171977 MKKVVFGUOYSFMH-UHFFFAOYSA-N 457.516 2.195 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)C(=O)[C@H](CCCC)NC(=O)[C@H](C)NC(=O)C(C)(C)C)c1 1141896338 ACUUEXXUHHZKKG-PXNSSMCTSA-N 456.587 2.291 30 10 JEEE CCN(CC)[C@H](CNC(=O)CCn1cc(C#N)c(O)nc1=O)c1ccc(C(F)(F)F)cc1 1142366391 IEDQQIZDDKEKQF-QGZVFWFLSA-N 451.449 2.429 30 10 JEEE C#Cc1cccc(NC(=O)NC(=O)CN2C[C@@H](C)O[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)c1 1197468936 QUIBBAJWRMXWHD-OSPHWJPCSA-N 456.543 2.416 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1CCN(Cc2ccccc2)CC1 1286277042 AINGMSKLVFBQGB-MOPGFXCFSA-N 458.632 2.258 30 10 JEEE C#CCN(c1nnc(C(C)C)n1Cc1cccnc1OCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1286385594 OHJPPWWMJAWYNQ-INIZCTEOSA-N 471.505 2.413 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCc1cccc(C)n1)[C@H]1CCS(=O)(=O)C1 1286387977 JHZSLGZKMDRXPW-QFIPXVFZSA-N 460.563 2.390 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1C[C@](C)(O)CCC(C)C)[C@H]1CCS(=O)(=O)C1 1286388731 VBJJZEXKTWFUHD-YADARESESA-N 488.610 2.488 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cn(C)c4ccccc34)n2C[C@@H](F)COC)CC1 1286490387 SRCGXUJINPRAQZ-GOSISDBHSA-N 452.534 2.387 30 10 JEEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(=O)c2ccco2)CC1 1286499727 KLNAOIXCMXDESG-UHFFFAOYSA-N 499.618 2.270 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@](C)(O)CCOC 1286525647 LEEJPZUSHLSIOM-DNQXCXABSA-N 453.591 2.232 30 10 JEEE C=C(Br)Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1286543987 XGPZBVZEVIOYFO-FUHWJXTLSA-N 494.438 2.416 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)N1CCCCC1 1286582117 RGSSPMOKIARAMC-LJQANCHMSA-N 468.668 2.278 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1286630996 XZFSELFRISMNTG-GJZGRUSLSA-N 465.954 2.235 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1snnc1C 1286742033 NCGQANXUWVCGCH-GOSISDBHSA-N 469.596 2.453 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)N1CCOCC1 1286745144 QIFMVCQBTGEUST-AZUAARDMSA-N 477.606 2.233 30 10 JEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1286790299 PUTAGASHFIWCTA-HNNXBMFYSA-N 461.592 2.039 30 10 JEEE C=CCOc1ccccc1Cn1c(CC)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1286798741 LCYAXPWZQRGUEY-UHFFFAOYSA-N 472.571 2.094 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CC[C@H](CN2CCCCC2)C1 1286820320 JIVCXTPCXMSWMD-WOJBJXKFSA-N 451.637 2.433 30 10 JEEE C#CCCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@](C)(C(=O)NC)C1 1300341751 KSROKKGPZGOKCS-QHCPKHFHSA-N 471.631 2.313 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H](C)Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 1300493076 QLBJKBNYGMYFRS-IAGOWNOFSA-N 456.597 2.302 30 10 JEEE C#CCN(c1nnc([C@@H]2COc3ccccc3O2)n1CCOCCC(C)C)[C@@H]1CCS(=O)(=O)C1 1300496499 RVDHAQMBDZNJHQ-KNQAVFIVSA-N 488.610 2.480 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccccc2OC)n1CC1CCN(C(=O)OC)CC1 1300547049 COTOQOMDSUMUSQ-UHFFFAOYSA-N 451.527 2.417 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(OC)ccc2Br)n1C[C@@H]1CC[C@H](CO)O1 1300657079 GHQGTNKCMRDWJX-DLBZAZTESA-N 479.375 2.342 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CCCNC(C)=O)CC1 1300690533 CULSDTIQHYCDHT-UHFFFAOYSA-N 454.575 2.022 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CC2(O)CCCCC2)CC1 1300729365 XIEXAABFOXGPLW-UHFFFAOYSA-N 456.616 2.295 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1300884061 GTZOJIOPMWBDTE-SBHAEUEKSA-N 481.663 2.404 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@H](NC(=O)CC)C1 1301482853 DRTFFGRDJCHYLI-INIZCTEOSA-N 462.501 2.344 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC(OC(C)C)CC1 1301497186 RDJTXRRVYCWQQJ-UHFFFAOYSA-N 479.585 2.371 30 10 JEEE C=CCNC(=O)Cn1c(N2CCCN(c3ccccc3C#N)CC2)nnc1[C@]1(OC(C)C)CCOC1 1301519222 NJZMFIVHCRKFGN-SANMLTNESA-N 493.612 2.209 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(C(C)=O)C[C@H]1C 1301577501 PDGWWQRVGKHFIH-OAHLLOKOSA-N 482.006 2.265 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H]2CCCN2C[C@H]1C 1301578215 ZQQOJSCXBKKCNO-NVXWUHKLSA-N 450.996 2.267 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCC(n3cc(Cl)cn3)CC2)nnc1[C@@]1(OCC)CCOC1 1301596542 RKAOXGAZPWIXGH-OAQYLSRUSA-N 499.037 2.222 30 10 JEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(O)cc2)CC1 1301611477 CETKGYBBEHTZJE-KRWDZBQOSA-N 463.629 2.132 30 10 JEEE CC(C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCC(=O)N1CCCCC1 1302685513 HCARNURDEXRJIV-GOSISDBHSA-N 451.579 2.181 30 10 JEEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cc(N(C)C)ccc2Br)n1 1309465036 SNMXMFQFIPUCMP-UHFFFAOYSA-N 455.378 2.182 30 10 JEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)C2=CC[C@H](NC(=O)OC(C)(C)C)C2)c1 1351599357 AWWDNGJMJFQBPZ-FQEVSTJZSA-N 453.539 2.473 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)c1cccc(F)c1 1358890314 NSHVKZGLMUZCQW-QFBILLFUSA-N 463.579 2.186 30 10 JEEE C#CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@]1(O)CCS(=O)(=O)C1 1358939351 VAXCIOGYZOMWLO-HRAATJIYSA-N 466.991 2.307 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1C[C@@H]1CCN(CC)C1)[C@H]1CCS(=O)(=O)C1 1358958663 TWLFAPIHPKOMCB-IRLDBZIGSA-N 455.628 2.476 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCN(C)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 1358966479 PTLRUSUXDKHPSL-QFIPXVFZSA-N 487.674 2.031 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CCC(C)C)CC1 1359043943 OQBMZLWZGHIMRL-UHFFFAOYSA-N 471.631 2.250 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](OCc2cccc(OC)c2)C1 1359057233 VRYJUYZTTDJFPY-FPOVZHCZSA-N 490.651 2.351 30 10 JEEE C=C(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1359121088 VWGYUILAOMDNAE-MRXNPFEDSA-N 456.572 2.172 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC1(O)CCOCC1 1359275511 VVMOJEOQTHROOE-OAQYLSRUSA-N 474.627 2.347 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCCOC2)n1C[C@H]1CCCN1S(C)(=O)=O 1359277305 ILWHZSFXMIOCFI-RBUKOAKNSA-N 463.604 2.424 30 10 JEEE C=CCn1c(N2CCN(c3nc(C)cc(OCC)n3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1359290558 GXCDWFDVSQPZAE-QHCPKHFHSA-N 457.579 2.328 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCN(c2ccc(F)cn2)CC1 1359329438 JAMJPVFKYVPGQP-UHFFFAOYSA-N 486.573 2.415 30 10 JEEE CCOC(=O)c1c(NC(=O)N2CCNC(=O)[C@@H]2c2ccccc2F)c(C#N)cn1CCOC 1466104267 DLJTUNRCYQBOPQ-SFHVURJKSA-N 457.462 2.027 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCOC2)n1CCN1CCN(C)C(C)(C)C1 1504873391 GNBCAVRYNJIYLK-HSZRJFAPSA-N 481.645 2.333 30 10 JEEE C#CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(CCOC)[C@H](C)C1 1507564231 NDGBFALSADYZKE-OAQYLSRUSA-N 466.634 2.413 30 10 JEEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(S(=O)(=O)CC)CC1 1507591687 MXVAXGSYQCROGS-UHFFFAOYSA-N 471.631 2.269 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1CCN(CC)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1507623563 UFWIUHBMXWYXAN-QGZVFWFLSA-N 467.636 2.459 30 10 JEEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1C[C@@]1(O)CCSC1)[C@H]1CCS(=O)(=O)C1 1507639615 LHDUUHQUYWGSTQ-UWJYYQICSA-N 497.042 2.005 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@@H]1CCCOC1)[C@H]1CCS(=O)(=O)C1 1507639959 NQGFCRDPKYXPKI-PMACEKPBSA-N 458.584 2.219 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCN(c2ccccc2OC)C1 1507669395 LMUNVZLHWVROEJ-RTWAWAEBSA-N 481.622 2.178 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H](C)COc2ccccc2OC)CC1 1507739017 KSCWGRUZJCPGMF-PZJWPPBQSA-N 481.597 2.472 30 10 JEEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC=C(c2ccccc2)C1 1507750703 CBYCCAMKNNDEIN-NRFANRHFSA-N 487.651 2.271 30 10 JEEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@H](NC(=O)OCC)C1 1507751018 BHEXBDYFKKLSGN-KRWDZBQOSA-N 495.609 2.273 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(CCOC)C(=O)C1 1507807262 LUVLYGSCNRPCRM-YVNJGZBMSA-N 475.634 2.473 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC(=O)N2CCOCC2)CC1 1507884688 XOYPPGLKKPMTQT-LJQANCHMSA-N 474.606 2.408 30 10 JEEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1507965508 SDNKEVDXZPYMCX-ZWKOTPCHSA-N 489.589 2.075 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1508079424 VGYBYFKSNOMTCL-UHFFFAOYSA-N 497.625 2.094 30 10 JEEE C[C@@H]1OCC[C@@]1(O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC(C#N)CC1 1512573198 BTLNQMNCSQUVNI-OYHNWAKOSA-N 458.950 2.141 30 10 JEEE COCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(C(=O)C(C)C)CC1 1519109439 CBGXSHQKTRBZPZ-UHFFFAOYSA-N 453.591 2.090 30 10 JEEE C#CCN(CC#C)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@]1(O)CCS(=O)(=O)C1 1539237836 LSWWGGQFYPKTIH-OAQYLSRUSA-N 474.995 2.436 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 1539318482 RUCJYUHRCLVIQI-RTBURBONSA-N 466.586 2.482 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@H]1CCCS(=O)(=O)C1 1539400544 GKFUAFVOHPAUOD-SFHVURJKSA-N 468.583 2.246 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC(=C)Br)CC1 1539451817 AXRRSIAQJIJQLA-KRWDZBQOSA-N 495.422 2.250 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCS(=O)(=O)C(C)(C)C)CC1 1539461366 DZHZVJYFKGYFNV-UHFFFAOYSA-N 480.034 2.479 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CC2(C(=O)N(C)C)CCCC2)CC1 1539469846 GWVCCUFDUWCOBD-UHFFFAOYSA-N 466.586 2.461 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCc2ccccc2F)CC1 1539488014 DQNBJJTWGZVWFL-UHFFFAOYSA-N 463.561 2.487 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)ccc3C)n2CCC2(O)CCOCC2)CC1 1539489687 VSJGJBKJBSCROG-UHFFFAOYSA-N 495.624 2.371 30 10 JEEE C=C(Br)Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1539595806 GDSSYRCLQDXCHL-JKSUJKDBSA-N 474.425 2.433 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C)(c2nc(C)no2)CC1 1539615182 GVKAIQHJNQYRKX-JQHSSLGASA-N 493.634 2.119 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2cccc(C)c2)nnc1N(C)CC(=O)N1CCOCC1 1539644448 OQJGSWSXMRBPOH-RDPSFJRHSA-N 469.586 2.442 30 10 JEEE C=C(C)COCCn1c(-c2ccccn2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1539743290 ATWYRUMDEZOCOO-HXUWFJFHSA-N 453.591 2.066 30 10 JEEE C=C(Cl)Cn1c(Cc2ccncc2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1539809932 DVMKTZARQSCZRX-UWJYYQICSA-N 458.010 2.395 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCN(CCC(C)(C)C)CC1 1540903438 CYDQKLCQRJKHBK-UHFFFAOYSA-N 460.648 2.423 30 10 JEEE CS(=O)(=O)N1C[C@H](C(=O)NC2CC2)C2(CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)C1 1548376257 VCQBICVSFCLDFB-GOSISDBHSA-N 470.517 2.334 30 10 JEEE Cn1cc(C2CCN(c3nnc(COc4ccc(C#N)cc4)n3CCCS(C)(=O)=O)CC2)cn1 1554335462 FVRYJMPVMKRFIS-UHFFFAOYSA-N 483.598 2.281 30 10 JEEE CO[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1)C(C)C 1554636596 HYMZJZCAYQDVCH-YADHBBJMSA-N 465.602 2.231 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CC(=O)N([C@H]3C[C@H]3c3ccccc3)C2)s1 1566077084 STDOLFQIQKWAAG-NEWSRXKRSA-N 459.593 2.028 30 10 JEEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCO[C@@](COC)(C(=O)OC(C)(C)C)C3)n[nH]2)c1C 1586283641 NYSAPRIHDHMWIP-QHCPKHFHSA-N 459.547 2.275 30 10 JEEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1cccc(OC)c1)N1CCCC1 1587989731 NWTIEQNIVHRMAW-PZJWPPBQSA-N 457.600 2.095 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCn1cc(C)cn1)[C@@H]1CCS(=O)(=O)C1 1588029407 HMNPYVIQXKPLEN-AZUAARDMSA-N 486.573 2.389 30 10 JEEE C#CCN(c1nnc(C2(c3ccccc3)CCC2)n1CC[S@](=O)CC)[C@H]1CCS(=O)(=O)C1 1588034739 LEMUSHQTUOUHLH-PKHCJMHPSA-N 474.652 2.143 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1CC1(O)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1588069856 UHGCGXIZJPPMCR-OAQYLSRUSA-N 456.612 2.385 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@@H](OC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1588070094 WKQUUONTNHNSJP-YLJYHZDGSA-N 464.563 2.294 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CCOc2cccc(C(F)(F)F)n2)CC1 1588811660 LSFXPLSJRULVFU-MRXNPFEDSA-N 450.465 2.030 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(CCOC)[C@H](C)C1 1589567408 DLEGWIOGPUUGAY-GIWBLDEGSA-N 457.623 2.278 30 10 JEEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccc(C)c2C)CC1 1593696477 QZVNTBIGSLSENC-FQEVSTJZSA-N 476.647 2.424 30 10 JEEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1594624867 CDXYZHLPHLEDFT-GOSISDBHSA-N 464.636 2.263 30 10 JEEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ncnc3ccsc23)CC1 1594681244 ZXPUNVCGHAAYMR-OAHLLOKOSA-N 476.632 2.186 30 10 JEEE C=CCCOCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1594830233 UZJOJCCSZAKLKZ-IPMKNSEASA-N 469.652 2.260 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)NC(CC)CC)nnc2N2CCN(C)C(=O)[C@H]2C)cc1 1595607504 GNHSXRSSMGIZGC-QGZVFWFLSA-N 454.575 2.477 30 10 JEEE C=CCSCCn1c(Cc2ccccn2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1595889977 FGDXJLFVVHXGPZ-UHFFFAOYSA-N 456.616 2.258 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2c(-c3cnn(C)c3)nc3n2CCCC3)ccc1F 1603411297 OBVYCNOCILFDAA-UHFFFAOYSA-N 458.519 2.476 30 10 JEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)OC(C)(C)C 1629743456 ABABFUQXNKXCHY-OXJNMPFZSA-N 457.552 2.294 30 10 JEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2cccc(OC)c2)C1 1689876995 OCLNUNUEZCVTSY-YLJYHZDGSA-N 461.588 2.278 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CC1CCC(OC)CC1)[C@@H]1CCS(=O)(=O)C1 1689992347 JSSMQGBTMYQSJN-VEDCXYSMSA-N 457.600 2.096 30 10 JEEE C#CCN(c1nnc(Cc2c[nH]c3ccccc23)n1CCCCOC)[C@H]1CCS(=O)(=O)C1 1689993333 BABKCYHOLZFQBS-IBGZPJMESA-N 455.584 2.404 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccccc2Br)n1CCN/C(O)=C1\N=CC=CC1=O 1690011361 MEODLYKLEHORFS-XUTLUUPISA-N 479.338 2.307 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(COC)CCC1 1690020088 YJUOJXNEBJICHQ-LJQANCHMSA-N 457.575 2.476 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1cccn(CC)c1=O 1690043705 KZTBFSWAGUVUPF-UHFFFAOYSA-N 481.560 2.368 30 10 JEEE C=C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H](N2CCOCC2)C(F)(F)F)CC1 1690384120 FGFSKMICMDMZSA-BZSNNMDCSA-N 459.513 2.422 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCN(Cc2cc(C)no2)CC1 1690725371 NUGCYYULOWHCBH-UHFFFAOYSA-N 488.589 2.227 30 10 JEEE C[C@@H]1SCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCS(=O)(=O)C2)[C@@H]1C 1693880976 AFUYUMNYSPXENM-SOLBZPMBSA-N 461.613 2.494 30 10 JEEE CCCNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1695429948 DYDOCYKHIOHDFV-UHFFFAOYSA-N 477.573 2.137 30 10 JEEE CCS(=O)(=O)N(C)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC2(O)CCC2)CC1 1696485214 BTGWPYSZBJXOHR-UHFFFAOYSA-N 472.615 2.372 30 10 JEEE Cn1ccc(CCn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCC(CC#N)CC2)n1 1696862146 FASDEHCLLMMJSM-UHFFFAOYSA-N 453.572 2.455 30 10 JEEE COc1ccccc1N1CC[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)C[C@@H](C)C#N)C1 1697600767 DQBMHORRGQVXJV-BZSNNMDCSA-N 475.619 2.019 30 10 JEEE C#CCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1705543753 RGLNBLFVBVPBFP-QGZVFWFLSA-N 468.949 2.456 30 10 JEEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1CCN1CCOC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1705561698 SJZDNGTYBXIWJI-MDNUFGMLSA-N 485.654 2.167 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@]1(O)CCSC1 1705630757 FRXKWMIOSCXXHV-JKSBSHDWSA-N 465.620 2.003 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H](C2CC2)N(C)C)CC1 1705634935 MXBJJDLQKSANMI-LJQANCHMSA-N 460.424 2.142 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCOc2ccccc2C)CC1 1705651091 JAYWKDVYAQYBEJ-UHFFFAOYSA-N 475.597 2.493 30 10 JEEE C=CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCS(=O)(=O)CC1 1705805292 DDCBHMFLAPTDCL-QGZVFWFLSA-N 469.608 2.178 30 10 JEEE C=CCCCn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1705815978 QFGJQVMXBIFSAA-UHFFFAOYSA-N 472.977 2.072 30 10 JEEE C=CCOc1ccccc1Cn1c(-c2ccccn2)nnc1N1CCN(CC(=O)N(C)C)CC1 1705912964 ZTYLHYOHMCVYMI-UHFFFAOYSA-N 461.570 2.163 30 10 JEEE C=CCSCCn1c(-c2ccc(C)o2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1705942069 GWDKGWARPIVBOO-UHFFFAOYSA-N 491.643 2.319 30 10 JEEE COCCN1C[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@H](C)C2)CC1=O 1712472723 FZAMNTVAIZRLSK-AZUAARDMSA-N 452.559 2.460 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)NC1CCCCC1 1722296083 NNOJKVWLAVBNGP-PKOBYXMFSA-N 474.606 2.493 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2Cc2csc(CC)n2)c1 1722309453 NRBSZAVWLAEBAV-SFHVURJKSA-N 463.567 2.353 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2nc(C)c(C)s2)CC1 1722443962 RJAYQBGMSXYCEY-XMMPIXPASA-N 486.642 2.406 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CCCOC(F)(F)F)CC1 1722449810 ZZTZTKQFQGQUMO-UHFFFAOYSA-N 450.465 2.156 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCOc2ncccc2Cl)CC1 1722452193 CBMCVSMLZANOJP-GOSISDBHSA-N 458.950 2.223 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CCNC(=O)C(C)C 1722508220 RHKADAONWGMDDH-PGRDOPGGSA-N 493.612 2.382 30 10 JEEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1722537837 ROFNUBQPUYNNFR-KRWDZBQOSA-N 461.592 2.471 30 10 JEEE C=C(Cl)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1722546402 ZVFHFBTZXKPTJZ-UHFFFAOYSA-N 499.984 2.483 30 10 JEEE C=CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](S(C)(=O)=O)C1)c1ccccc1 1722593906 CGBODXJWSPDSKQ-SXLOBPIMSA-N 495.671 2.262 30 10 JEEE C=CCCOCCn1c(-c2cccc(Br)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1722622710 RTSDZGHMIDFWAF-UHFFFAOYSA-N 484.420 2.382 30 10 JEEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@H](C)S[C@@H](C)C1 1722698561 HXJMROAKNGGQPA-IRXDYDNUSA-N 456.620 2.085 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCC(NC(=O)C2CC2)CC1 1722725632 PPUBCFYNEXFDNM-UHFFFAOYSA-N 461.563 2.180 30 10 JEEE C[C@H]1CCCC[C@@H]1OCCn1c(-c2cccc(C#N)c2)nnc1N(C)CCNS(C)(=O)=O 1726531752 HTNLKSUMDJBANN-PXNSSMCTSA-N 460.604 2.397 30 10 JEEE CCN(CCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCO[C@@H](C#N)C1)S(C)(=O)=O 1728494117 CGNLKSGWYLLZFB-INIZCTEOSA-N 482.994 2.007 30 10 JEEE CN(C[C@H]1CCCCO1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1729468130 BRGSULVPEJSZHL-TZIWHRDSSA-N 488.614 2.016 30 10 JEEE C#CCCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1740586856 PLCYJNLUIBLVOQ-UHFFFAOYSA-N 461.588 2.236 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CCc1ccc(F)c(F)c1)[C@H]1CCS(=O)(=O)C1 1740616149 UJXMEXRZKYCMCH-SFHVURJKSA-N 493.580 2.344 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CSCCS1)[C@@H]1CCS(=O)(=O)C1 1740621048 SQRJVACHXMKTQZ-HZPDHXFCSA-N 484.072 2.469 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2c(Cl)c(C(F)(F)F)nn2C)CC1 1740705664 KNRYVMCZDVNJJC-AWEZNQCLSA-N 499.925 2.202 30 10 JEEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1740885902 QLJSKJFFIHXMPC-RBUKOAKNSA-N 452.563 2.142 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCCOC2)n1CC(=O)N1CCOCC1 1740913228 AWKZXXFQBULMOX-HXUWFJFHSA-N 455.559 2.232 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1740963326 HSRLWPUXOVPFNE-HSZRJFAPSA-N 495.672 2.381 30 10 JEEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@@](C)(O)C2CC2)c1 1747600831 HHOCCFFNZYBIOE-DHIUTWEWSA-N 472.615 2.486 30 10 JEEE C#CCCCCn1c(CCc2ccc(OC)cc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1748724551 FBIPWBZGERAZES-UHFFFAOYSA-N 461.570 2.462 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1Cc1cccc2cccnc12)[C@H]1CCS(=O)(=O)C1 1748802727 RVFHFNAFUOQUJH-NRFANRHFSA-N 494.621 2.420 30 10 JEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1Cc1cnn(CCOC)c1)[C@H]1CCS(=O)(=O)C1 1748808131 INBCMJTVAAMGPJ-FQEVSTJZSA-N 489.001 2.116 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCN1CCCC(C)(C)C1)[C@@H]1CCS(=O)(=O)C1 1748815143 NRLQZYKSWZQVFM-WOJBJXKFSA-N 463.648 2.268 30 10 JEEE C#CCN(CCOC)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCC[C@]2(CCOC2)O1 1748968138 BKJTYRWZXIOANW-WZONZLPQSA-N 473.599 2.084 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2Cc2nc(C)cs2)CC1 1748973026 VJHPFHFUYPFTKC-UHFFFAOYSA-N 470.002 2.430 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@]2(C)CCCO2)CC1 1748977750 BLRDNXSYJABEHP-DEOSSOPVSA-N 455.559 2.295 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H](C)Oc2ccc(C)cc2)CC1 1748978550 MHDAKMKRFYUZDN-SQJMNOBHSA-N 453.587 2.461 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(Br)cc3)n2CCC(=O)NCCC)CC1 1748998808 AMOXGXGEHAWHFQ-UHFFFAOYSA-N 489.418 2.291 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCOc2cccc(C)c2)CC1 1749003630 QBGWBHUTLLCHIX-AREMUKBSSA-N 481.597 2.283 30 10 JEEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1749040506 YZDLWYIWISDICH-QGZVFWFLSA-N 452.588 2.205 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OCC)c(OC)c2)n1CCCNS(C)(=O)=O 1749059848 DPIWFQZQBMGJKT-JOCHJYFZSA-N 461.588 2.284 30 10 JEEE C=C(Br)Cn1c(-c2ccc3c(c2)OCO3)nnc1N(C)CCCS(C)(=O)=O 1749092351 TYVSMTVIFLDORY-UHFFFAOYSA-N 457.350 2.453 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccco1 1749538601 XSNQDXWUMTVEKH-HXUWFJFHSA-N 457.556 2.445 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(c2nccc(OC)n2)CC1 1749655678 OYADPDSTNLVHJY-UHFFFAOYSA-N 468.949 2.026 30 10 JEEE C=CCSCCn1c(-c2ccccc2C)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1749748904 DBIAXOGOYUGZHV-UHFFFAOYSA-N 456.616 2.346 30 10 JEEE CC(C)Cc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1750743903 AMSHVFMYWMIOCS-HSZRJFAPSA-N 499.685 2.342 30 10 JEEE Cc1ccc(NC(=O)c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@](C)(O)c2ccco2)cc1C 1751544237 DUYCISHSVHABOS-WZONZLPQSA-N 450.499 2.377 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1cccnc1OC 1760101315 NEXZAGLXTPAGGM-HNNXBMFYSA-N 453.572 2.456 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1(S(C)(=O)=O)CCCC1 1760112611 JWOPLKAYKLILTI-GOSISDBHSA-N 471.631 2.267 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2CCc2cn[nH]c2)c1 1760126383 XAPUFPUOXWMXCV-VWLOTQADSA-N 477.569 2.341 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCN(C)C1CCCC1)[C@H]1CCS(=O)(=O)C1 1760182731 IPYQVDWSGXWUSO-NRFANRHFSA-N 486.598 2.354 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1CC(C)(C)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1760184989 NIDCVGCZXMDOAM-QGZVFWFLSA-N 488.614 2.270 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCCn2cnnn2)CC1 1760267781 ZZSHTGVFCIGIFG-UHFFFAOYSA-N 488.383 2.295 30 10 JEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN([C@H](C)c2nc(C(C)C)no2)CC1 1760284770 RMBRCBSQBBUJKX-GOSISDBHSA-N 486.646 2.157 30 10 JEEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)CC1CN(C(=O)OCc2ccccc2)C1 1760365533 BCAWRBPFJXJERT-MRXNPFEDSA-N 497.021 2.346 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1c[nH]c2ccccc12 1760465074 WDISSWJEBPDTID-FQEVSTJZSA-N 458.588 2.347 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC[C@H](c3noc(C(C)C)n3)C2)nnc1[C@@]1(OCC)CCOC1 1760528850 OQNDYFIOKSOZFE-GAJHUEQPSA-N 473.578 2.123 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCN2CCOC[C@H]2C)C1 1760538302 XXYQEPBEEBZMSG-UYAOXDASSA-N 457.575 2.464 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2c[nH]c3ccccc23)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1760553525 DUGLYNZVNHMSAH-HZPDHXFCSA-N 479.628 2.285 30 10 JEEE Cc1n[nH]c(C)c1S(=O)(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccccc1C#N)CCO2 1858468664 ZDZVFQYORLMZTE-UHFFFAOYSA-N 473.536 2.287 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1OC 1862575140 SCDCMQDYBHPDEX-HXUWFJFHSA-N 469.450 2.326 30 10 JEEE N#Cc1ccc(NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CC[C@H]2CCS(=O)(=O)C2)cc1 1866922247 KNNJBLNIJSZRBF-GHTZIAJQSA-N 455.536 2.145 30 10 JEEE N#Cc1cccc(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CC[C@@H]2CCS(=O)(=O)C2)c1 1866924713 XDCILVNEPGNDBF-UTKZUKDTSA-N 455.536 2.145 30 10 JEEE CCN(CC)CCNC(=O)c1ccc(NC(=O)[C@@H](N=C2NS(=O)(=O)c3ccccc32)C(C)C)cc1 1869928708 YAZMRNPRCVOPEF-QFIPXVFZSA-N 499.637 2.460 30 10 JEEE C#CCOc1cn(CCN2C(=O)CSC2=O)c(CNc2ccc(OC)c(OC)c2)cc1=O 1871009076 BULVARWWGBXOPI-UHFFFAOYSA-N 457.508 2.185 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)COc2nonc2CC(=O)NCc2ccccc2)nc1C 1872649043 HMKSLHPGGNMUMG-UHFFFAOYSA-N 471.495 2.054 30 10 JEEE N#Cc1nccnc1OCC1CCN(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1 1891977573 YCAIUDKNWXGNAL-UHFFFAOYSA-N 469.567 2.454 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)[C@@H](F)C1 2124519727 MIXGVOJDFKTFAE-GJZGRUSLSA-N 450.320 2.309 30 10 JEEE CO[C@@H](C)[C@H](CC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2124538473 KDAJFJALGPNACA-ZFWWWQNUSA-N 450.345 2.033 30 10 JEEE CC(C)(C)OC(=O)N[C@]12C[C@@H]1CN(S(=O)(=O)c1ccc(B3OC(C)(C)C(C)(C)O3)s1)C2 2255751182 WLDWJEFTRPIZAI-XCLFUZPHSA-N 470.422 2.335 30 10 JEEE C=C(CS(=O)(=O)NCCC1(OC)CN(C(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2255955076 IFWXBWRYTDAHJD-UHFFFAOYSA-N 460.402 2.119 30 10 JEEE C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1sccc1B1OC(C)(C)C(C)(C)O1 2256620891 OCYILFOSFSSXNN-BBRMVZONSA-N 454.398 2.280 30 10 JEEE C[C@@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)Nc1nc(B2OC(C)(C)C(C)(C)O2)ccc1Cl 2256626917 PKXDVPIFLXNNFG-RISCZKNCSA-N 455.748 2.247 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2[C@H](NS(=O)(=O)c3ccccc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2267376081 QJDGNBJDJTZTHI-HWWDLCQESA-N 464.393 2.129 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](CNS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2267467778 FYBKNPZSSMKNTB-CQSZACIVSA-N 487.453 2.119 30 10 JEEE CN1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)NCc1sccc1B1OC(C)(C)C(C)(C)O1 2268651620 PYFBJWJPSMHDHS-INIZCTEOSA-N 465.425 2.215 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@H]1C[C@@H]2C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2268709269 AHBYAPZIDZTUMC-ZOBORPQBSA-N 464.397 2.137 30 10 JEEE Cn1cc(C(=O)N2C[C@H]3CCN(Cc4ccccc4)C[C@@H]3C2)c(B2OC(C)(C)C(C)(C)O2)n1 2281972900 OQTWGGKCXGOLKF-WOJBJXKFSA-N 450.392 2.313 30 10 JEEE Cc1nc(C(=O)N2CCO[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)c(B2OC(C)(C)C(C)(C)O2)s1 2282021314 KNOFPLBSTLEHPT-LSDHHAIUSA-N 479.408 2.211 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1C[C@](F)(CNC(=O)OC(C)(C)C)C1 2282045140 UOFRPLMRZSVEPE-XLOAEROZSA-N 466.363 2.092 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C 2282055438 DSQVBTDYJIBVKJ-GOEBONIOSA-N 462.400 2.403 30 10 JEEE CNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1c(F)cc(F)cc1B1OC(C)(C)C(C)(C)O1 2282502000 FFGYOVRGWQKJBW-UHFFFAOYSA-N 480.342 2.201 30 10 JEEE CCn1cc(C(=O)NC[C@@H]2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)nc1B1OC(C)(C)C(C)(C)O1 2282530088 OWKPXTMIPVVWEH-MUJYYYPQSA-N 460.384 2.045 30 10 JEEE Cc1c(C(=O)NC[C@@H]2[C@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282542391 IKXYBHLRUPHGQI-ARFHVFGLSA-N 460.384 2.013 30 10 JEEE CC(C)(C)OC(=O)N1CC(NC(=O)c2ccc(Cl)cc2B2OC(C)(C)C(C)(C)O2)(C(=O)O)C1 2282558887 FTVBZXFMGIJVNF-UHFFFAOYSA-N 480.754 2.443 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]2C[C@@H]21 2282587017 HHMSINOXNPEYEA-OIISXLGYSA-N 460.384 2.330 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CNC(=O)c3ncc(B4OC(C)(C)C(C)(C)O4)cn3)C[C@@H]21 2282616166 XTEMLDNXXAVEGH-OIISXLGYSA-N 458.368 2.151 30 10 JEEE CC1(C)CN(C(=O)OC(C)(C)C)CCN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2282670520 IQRZLEYPFLTEAQ-UHFFFAOYSA-N 460.384 2.495 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](C2CN(C(=O)c3nccnc3B3OC(C)(C)C(C)(C)O3)C2)C1 2283055179 DXWBWAOPSWMHIR-HNNXBMFYSA-N 458.368 2.105 30 10 JEEE C[C@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)C1(O)CCC1)c1nscc1B1OC(C)(C)C(C)(C)O1 2284068332 CIRVIBBQDZIVFO-BBRMVZONSA-N 481.424 2.428 30 10 JEEE CCCn1c(N2CCN(C)CC2)c(C=C2SC(=S)N(CCCOC)C2=O)c(C)c(C#N)c1=O 2314462993 XGMKBOPSVIQBIU-UHFFFAOYSA-N 489.667 2.428 30 10 JEEE CCOc1ccccc1OCc1nnc(SCC(N)=O)n1N=Cc1ccc2c(c1)OCCO2 2326823190 YNHIKKOIDGJPTD-UHFFFAOYSA-N 469.523 2.487 30 10 JEEE CC(C)(C)OC(=O)N[C@]1(C)CN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CC1(F)F 2336777263 ZCSWOUCNESTZDU-LJQANCHMSA-N 456.299 2.083 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H](NC(=O)OC(C)(C)C)C(C)(C)C 2337207084 WPQCVMVCDGBVCU-AWEZNQCLSA-N 450.389 2.389 30 10 JEEE COc1ccc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)O)cc1B1OC(C)(C)C(C)(C)O1 2339736742 DAPVYIMZCQVLFP-GUYCJALGSA-N 450.341 2.207 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2[C@@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)n1 2359267351 BPYYSJWKTVJYFN-BFYDXBDKSA-N 460.384 2.187 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C23CC3)n1C 2362335432 KQXYVTZMGADICH-OAHLLOKOSA-N 460.384 2.300 30 10 JEEE N#Cc1ccccc1S(=O)(=O)N1CCC[C@@H](c2nc(=O)c3nnn(Cc4ccc(F)cc4)c3[nH]2)C1 20463122 LUHLDXOKENYDIJ-QGZVFWFLSA-N 493.524 2.142 30 10 JEEE CC(=O)[C@]1(O)CC[C@@H]2[C@H]3CCC4=C/C(=N/OCC(=O)N[C@H](CO)C(=O)O)CC[C@]4(C)[C@@H]3CC[C@@]21C 504531018 XPPSOAUERBQGOO-SGXBQWDBSA-N 490.597 2.204 30 10 JEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)cc2Cl)c(=O)n1C[C@H]1CCCO1 603800360 WTXPPIIEQYXSRT-OAHLLOKOSA-N 464.374 2.201 30 10 JEEE CC#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](C(=O)O)[C@H](C)O 757207283 HKWDTOOQORZUCL-RXYZOABWSA-N 450.491 2.257 30 10 JEEE C=CCNC(=O)CN1CCN(C(=O)[C@H]2CCCCN2C(=O)/C=C/c2ccc(Cl)cc2)CC1 919682858 RGLXPLOYKYHBBD-OGECGYFKSA-N 458.990 2.181 30 10 JEEE C#CCN(C(=O)Nc1ccc(S(=O)(=O)NC)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 1200722804 QYUQUCNEWLDNLR-UHFFFAOYSA-N 450.561 2.461 30 10 JEEE COc1ccc(C(=O)N2CCN(C(=O)Nc3ccc(S(=O)(=O)[C@H](C)C#N)cc3)CC2)cc1 1203384462 IEVHKKNPQPQDCL-MRXNPFEDSA-N 456.524 2.371 30 10 JEEE C#CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1286340276 WWJXPPCFBJRGHI-UHFFFAOYSA-N 461.588 2.236 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1Cc1cccs1 1286349018 CMSPIHYDMLDKML-HKUYNNGSSA-N 463.629 2.297 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1cc(Cl)c(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1286390568 AXSAUIJAMBKPSM-DLBZAZTESA-N 495.001 2.128 30 10 JEEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1C[C@@H](C1CC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1286392831 CLCODYJYOZBMBW-GMAHTHKFSA-N 485.654 2.441 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2COc3ccccc3O2)n1CCN1CCN(C)C(C)(C)C1 1286428792 WQYQULGQSQAVQW-HSZRJFAPSA-N 462.598 2.280 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccncc3)n2Cc2cccc(S(=O)(=O)NC)c2)C1 1286813201 XYWCXPPCUQORPG-HXUWFJFHSA-N 468.583 2.002 30 10 JEEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1295064007 AAOFLPVXYDBEBZ-UHFFFAOYSA-N 464.574 2.021 30 10 JEEE CC(=O)NC[C@H]1CCn2ncc(C(=O)N3CCN([C@H](C#N)c4cccc(Cl)c4)CC3)c2C1 1297320823 AWAHSTMTSRAVCP-HTAPYJJXSA-N 454.962 2.258 30 10 JEEE CN(C)C(=O)[C@H]1CCCN1CCCn1c(-c2cnn(C)c2)nnc1N(C)Cc1ccc(C#N)cc1 1297954281 GNQCVNKGJJEKHL-JOCHJYFZSA-N 475.601 2.129 30 10 JEEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1C[C@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1300504828 UAOXDVDOTBVSMM-WMZHIEFXSA-N 460.600 2.262 30 10 JEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(N2CCOCC2)cc1 1300545905 YVXXYBDQGVOGMB-UHFFFAOYSA-N 474.590 2.227 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CCCc2cnn(C)c2)CC1 1300691135 PGCWCUFSRJKZSE-UHFFFAOYSA-N 463.586 2.474 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2CCN2CCOCC2(C)C)CC1 1300719370 YGWGCAAXWXQSAS-UHFFFAOYSA-N 480.613 2.030 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCN(CC)C(=O)OC(C)(C)C)CC1 1300719781 PUEHRUVFIQBKSF-UHFFFAOYSA-N 469.590 2.496 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CCCN2CCCO[C@H](C)C2)CC1 1300726437 KZEHGDIBVOOHTC-OAQYLSRUSA-N 496.631 2.475 30 10 JEEE C=CCC(C)(C)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCS(=O)(=O)CC1 1301139833 XEBZAVHFLUISRL-UHFFFAOYSA-N 480.660 2.384 30 10 JEEE C=CCn1c(COc2ccc(OC)cc2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1301469537 AOVRRWFHULTDFK-UHFFFAOYSA-N 454.575 2.186 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N(C)C[C@@H](c1cccs1)N1CCOCC1 1301491063 LIYNMJUICAGNBM-IBGZPJMESA-N 469.615 2.157 30 10 JEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC(c2ncc(C)s2)CC1 1301587245 SQSHNNADSZNQGK-UHFFFAOYSA-N 478.644 2.150 30 10 JEEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H]1[C@H]1CCCO1 1301593308 LRLPKXITQHOVMD-IAGOWNOFSA-N 479.628 2.018 30 10 JEEE C[C@H](C#N)CN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@]1(N(C)C)CCSC1 1301956301 IDKDBCWYNNCCAR-VGOFRKELSA-N 491.687 2.229 30 10 JEEE CCCC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCO[C@H]2C)CC1 1306508520 GGLFFHLJMAXOJM-BXKMTCNYSA-N 452.559 2.242 30 10 JEEE C#CCN(c1nnc(C)n1CC(CC)(CC)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1358956646 IUBFAVRFTCXKBF-KRWDZBQOSA-N 453.609 2.297 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCc2ccncc2)CC1 1359039981 CZJHODYEEMAFBZ-OYRHEFFESA-N 465.602 2.442 30 10 JEEE C=CCCCCn1c(N2C[C@H](C)[C@@H](N3CCN(C(C)=O)CC3)C2)nnc1[C@@]1(OCC)CCOC1 1359206877 SAGCERFIYFGHRX-UWDQQESISA-N 474.650 2.275 30 10 JEEE C=CCN(CCOC)c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1359281215 SDMDCLXSCGBAKP-PZJWPPBQSA-N 474.631 2.492 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCS(=O)(=O)CC1 1359291724 AREHWZORJVLYSU-MRXNPFEDSA-N 482.006 2.225 30 10 JEEE C=CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1359338515 YIKVURLILXZNOY-HNNXBMFYSA-N 494.419 2.428 30 10 JEEE C=CCOc1ccc(/C=C\C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)OC(C)(C)C)cc1OC 1460851850 ZAEAPRBEFHIEJA-PXAMLJHWSA-N 451.541 2.241 30 10 JEEE COC(=O)c1cc(S(=O)(=O)N2C[C@H](NC(=O)C(F)(F)F)CC[C@H]2C(F)(F)F)ccc1F 1475523337 GJXLHKJBEMNEQN-PELKAZGASA-N 480.358 2.375 30 10 JEEE CCN(CC)C(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cnn(CCOC)c2)CC1 1501789003 BMDNRTMYHFGZMJ-UHFFFAOYSA-N 491.600 2.292 30 10 JEEE CCS(=O)(=O)N(C)CCCn1c(Cc2ccccc2OC)nnc1N1CCC(C#N)CC1 1503267099 DTIFPVYJZQQNDL-UHFFFAOYSA-N 460.604 2.289 30 10 JEEE N#Cc1ccc(OCc2nnc(N3CC[C@H](C(N)=O)C3)n2CCOc2ncccc2Cl)cc1 1505317694 BADZZWOJKLPDCQ-INIZCTEOSA-N 467.917 2.168 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1Cc1oc(CC)nc1C)[C@H]1CCS(=O)(=O)C1 1507626876 QHNBGFJJQBHOKK-SFHVURJKSA-N 499.593 2.496 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@](C)(O)C1CC1 1507671891 RJIKREIKFBASHP-CYFREDJKSA-N 457.575 2.210 30 10 JEEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccc(C)cc1)N1CCCC1 1507678697 BNBYHMIJNVLXQW-FPOVZHCZSA-N 458.632 2.493 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2ccc(C)c(OC)c2)CC1 1507733590 FCEXQABPFZIGDB-UHFFFAOYSA-N 478.597 2.040 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2CC[S@@](=O)C(C)(C)C)CC1 1507735424 WBXJEFDAHBNOID-MGBGTMOVSA-N 471.627 2.467 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC2([S@@](C)=O)CCC2)CC1 1507741322 PTDMLPPWVOISKQ-LWFRFFLJSA-N 489.686 2.464 30 10 JEEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 1507750365 RPMWTQSZIQQHRH-UHFFFAOYSA-N 453.597 2.434 30 10 JEEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)C(C)C)CC1 1507791847 SSVZWDQWHQQYIF-HOTGVXAUSA-N 456.385 2.215 30 10 JEEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2Cl)CC1 1507836855 BOMHZRRRMHKENT-QGZVFWFLSA-N 483.038 2.461 30 10 JEEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1CCN(CCN(C)C)CC1 1507978027 DNDKONGWSSAJTQ-UHFFFAOYSA-N 474.679 2.134 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCn2cc(C)cn2)C1 1508116994 LKLHMCIDYJBUTC-FQEVSTJZSA-N 485.614 2.182 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1508144510 FIKGCUNWXIJNGV-UHFFFAOYSA-N 475.615 2.136 30 10 JEEE C=CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1508160468 UPQGXMKXVXNUDG-MSOLQXFVSA-N 455.650 2.096 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccn(-c2ccc(F)cc2)n1 1508421671 BXJHVWIPZXMDOH-IAGOWNOFSA-N 471.562 2.344 30 10 JEEE CCOc1ncccc1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C(N)=O)CC1 1516356005 BSHUINNDFWFXRZ-UHFFFAOYSA-N 461.526 2.272 30 10 JEEE Cc1nn(C)c(N2CCN(C(=O)[C@H]3CC(=O)N(C)[C@H]3c3ccc(Cl)c(F)c3)CC2)c1C#N 1516422593 BQOOZDNNSZZADZ-YWZLYKJASA-N 458.925 2.261 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccc(C)n3)n2C[C@]2(O)CCO[C@@H]2C)c1 1539039537 DCKFXWACJUMSLI-IQGLISFBSA-N 460.538 2.245 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2occc2C)c1 1539043393 PYJQHHWDBYUCRX-GOSISDBHSA-N 467.551 2.186 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCn1cc(Cl)cn1)[C@H]1CCS(=O)(=O)C1 1539204716 CIGHHIGCRPFOJX-SFHVURJKSA-N 474.974 2.131 30 10 JEEE C#CCN(c1nnc(-c2ccccc2F)n1CCCOC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1539210800 GKJMBLLRLGYPLS-SFHVURJKSA-N 476.574 2.297 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1CCC(C)(F)F)[C@@H]1CCS(=O)(=O)C1 1539211769 OOFAGLNNNWGFPW-MRXNPFEDSA-N 466.510 2.388 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccc(NC(=O)CCC)cc1)[C@@H]1CCS(=O)(=O)C1 1539215435 BVWFNARYULPTLL-OAQYLSRUSA-N 495.609 2.092 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@H]2CCCN(C(C)C)C2)CC1 1539484694 ZOWOTDISMCBLJN-NRFANRHFSA-N 463.630 2.350 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](CC)NC(=O)OC(C)(C)C 1539539632 WHNQSTHEEIOUOX-VWKPWSFCSA-N 468.624 2.184 30 10 JEEE C=C(Br)Cn1c(N2CC(=O)N[C@@H]3CCCC[C@H]32)nnc1[C@]1(OC(C)C)CCOC1 1539608806 CYTTUXOGEPGXQG-QINHECLXSA-N 468.396 2.475 30 10 JEEE C=C(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1539707911 QVPIDTNMJZAZQR-FQEVSTJZSA-N 463.579 2.215 30 10 JEEE C=C(Cl)Cn1c(Cc2cccnc2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1539809896 CMFRZDYPKBOXMV-NRFANRHFSA-N 460.026 2.248 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCS(C)(=O)=O)C1 1540896908 WRMPZZPMKRIKOX-IRXDYDNUSA-N 469.608 2.176 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCO[C@@H](Cc2ccccc2)C1 1540901300 ZKRLQHKGISFZAQ-FQEVSTJZSA-N 455.584 2.332 30 10 JEEE C=CCSCCn1c(N2CCN(c3ncc(F)cn3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1540922230 ICBBFOIZHJEPGB-JOCHJYFZSA-N 477.610 2.494 30 10 JEEE CNC(=O)[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CCN1S(=O)(=O)c1cccc(F)c1 1548369285 UTTBKXCUILGVSQ-SFHVURJKSA-N 470.448 2.342 30 10 JEEE COCC[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1555418426 AARVYWZNICVHHF-SQJMNOBHSA-N 468.602 2.153 30 10 JEEE C#CC[C@]1(C(=O)NCc2ccc(C(=O)NCCN(C)C)cc2)CCCN1C(=O)OC(C)(C)C 1565681913 MIXIRIPXICINEI-RUZDIDTESA-N 456.587 2.387 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)NC[C@H]3CC(=O)N(C(C)(C)C)[C@@H]3c3cnn(C)c3)cc2C1=O 1586189448 GMGOGCAQXDZAOT-IERDGZPVSA-N 463.538 2.320 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCSc1ccc(C)cc1 1587638431 DVBVRAHIKWKEKH-PKOBYXMFSA-N 463.629 2.170 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCO[C@@H]2C(=C)C)c1 1587692601 GLTAEOAYDAYCEP-QMHWCDLVSA-N 462.554 2.267 30 10 JEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CCNC(C)=O)Cc1ccc(C)s1 1587856270 INJCEUDDRNAOEW-SFHVURJKSA-N 463.629 2.106 30 10 JEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1cccc(SCC)c1)[C@H]1CCS(=O)(=O)C1 1588025343 XDCZMTBRCJFKIL-IBGZPJMESA-N 487.651 2.301 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CCOC[C@@H]1OC 1588186537 YTLLVOMYVCZZGM-PMACEKPBSA-N 484.626 2.061 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2Cc2nncn2C)CC1 1588890881 HLSNBTMLDRBPGU-MRXNPFEDSA-N 482.976 2.214 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2ccc(Cl)c(OC)c2)CC1 1588923678 IUCPFRVRUZXSDJ-IBGZPJMESA-N 484.988 2.100 30 10 JEEE C#CCSCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCO[C@@H](C#N)C1 1589059626 HEKXFHKNSIFQPQ-MSOLQXFVSA-N 460.604 2.488 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccccc2OC)nnc1N1CCCN(S(C)(=O)=O)CC1 1589557792 IWZJDDAQRAEREE-NZQKXSOJSA-N 489.642 2.330 30 10 JEEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1593636564 OASHEUGLINAXSG-VGOFRKELSA-N 481.619 2.178 30 10 JEEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCC(NC(=O)c2ccsc2)CC1 1593690534 MFZKPNAMOZUJJK-UHFFFAOYSA-N 460.604 2.469 30 10 JEEE C=C1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCNC(=O)C2CC2)CC1 1594096992 KTPIILUNNPJCMC-SFHVURJKSA-N 460.579 2.269 30 10 JEEE C=CCCOCCn1c(N2CCNC(=O)[C@@H]2CC)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1594829786 QCGWBRVREFMSIR-KSZLIROESA-N 462.595 2.356 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](Oc2ccccn2)C1 1595576920 CDVOCGOTMFMKFM-HXUWFJFHSA-N 459.510 2.084 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCC(c2cnn(C)c2)CC1 1595593855 JEXRGBIPMRZKQP-UHFFFAOYSA-N 453.522 2.416 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1595778074 VSAAJNWIWKGWPV-AWEZNQCLSA-N 489.495 2.190 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1595789507 VFECFHSWFSFNRJ-LJQANCHMSA-N 455.588 2.497 30 10 JEEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCOCC2CCOCC2)CC1 1596171663 CNJLOXZADOQSRT-UHFFFAOYSA-N 452.559 2.319 30 10 JEEE CC(C)(C)[S@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1597706070 FWFVUOXTUOQBBG-AONNBLCTSA-N 469.615 2.404 30 10 JEEE C=C(C)Cn1c(SCC(=O)N2CCC[C@@H]2C[C@]2(C)NC(=O)NC2=O)nnc1-c1ccco1 1623848835 WIGVPFKUFVGGSW-SZNDQCEHSA-N 458.544 2.186 30 10 JEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1626331176 BMAJQFYSRDACOC-NVXWUHKLSA-N 450.561 2.083 30 10 JEEE CC[C@H](NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)[C@H]1CN(Cc2ccccc2)CCO1 1630906133 HKQUHKSOWWGIQF-XZOQPEGZSA-N 455.580 2.269 30 10 JEEE C#CCn1ccc(CN(CCOC)C(=O)c2ccc3c(n2)CN(C(=O)OC(C)(C)C)CC3)n1 1635721924 VIJXPZKEEAXUIZ-UHFFFAOYSA-N 453.543 2.493 30 10 JEEE C#C[C@H](NC(=O)c1c(OC)ccc(S(N)(=O)=O)c1OC)c1ccc(Br)cc1 1637663076 MGXHCWOXPVSAAR-ZDUSSCGKSA-N 453.314 2.218 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccc(Cn2cccn2)cc1)[C@H]1CCS(=O)(=O)C1 1689979538 CTATWUOURNGKKM-NRFANRHFSA-N 466.611 2.495 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCO3)n1CCCN1CCC[C@H]1C(=O)N(C)C 1690041041 YAAFEZWICNRFBZ-NRFANRHFSA-N 476.581 2.079 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)N2CCCC2)n1C[C@H](C)N1CCN(CC)CC1 1690087366 VFSOJUBKLPXUHT-NRFANRHFSA-N 481.620 2.319 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C)cc2OCC)CC1 1690135387 VOPHFLXCTPJSJM-UHFFFAOYSA-N 478.597 2.235 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2cccc(O)c2)CC1 1690237029 UTOSTFBXVSSRIT-GHTZIAJQSA-N 454.575 2.430 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccsc1 1690245692 LUUYEYBVVVKRCZ-QRVBRYPASA-N 481.644 2.290 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)c1c(C)noc1C)C1CC1 1690545538 TXYOSMSUBGYODH-KSSFIOAISA-N 464.592 2.174 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCN(C(C)=O)C1 1690563056 GANODGQCZYMUDE-GHTZIAJQSA-N 474.631 2.339 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1690660758 NXZCUEADDFYVBV-RTWAWAEBSA-N 486.642 2.127 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN(c2c(F)cccc2OC)CC1 1690721117 YCDNURBDFLWNQH-UHFFFAOYSA-N 486.573 2.415 30 10 JEEE CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@@H](N2CCOCC2)C(F)(F)F)CC1 1690840746 VOFSGXINBCKSBG-HXUWFJFHSA-N 491.518 2.138 30 10 JEEE CCS(=O)(=O)CCN(C)c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CCCCC1 1696474402 GUBFGQJWYVDSSJ-UHFFFAOYSA-N 461.588 2.295 30 10 JEEE CN(Cc1ncc(Cl)n1C)c1nnc(COc2ccc(C#N)cc2)n1CC(=O)NCC(F)(F)F 1696725043 GBRIWMWADBXFQB-UHFFFAOYSA-N 496.881 2.431 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1OCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1705563130 RCGSWRIMMNFYIB-UXHICEINSA-N 453.568 2.259 30 10 JEEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@]1(N(C)C)CCSC1 1705585211 OCDKPFLNOZEPMT-HHHXNRCGSA-N 491.709 2.153 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1705606796 FYESIXFMGJHOBQ-LJQANCHMSA-N 499.559 2.461 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCC(=O)N[C@@H](C)CC)CC1 1705632580 VEBGEUDUULXUPE-FQEVSTJZSA-N 465.602 2.207 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3)n2CCCC(=O)N(C)C)CC1 1705635596 DFFKCJNRCOFNIT-UHFFFAOYSA-N 459.392 2.331 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2cc(F)ccc2F)CC1 1705644529 TXUHXZMEXBDEKV-UHFFFAOYSA-N 472.540 2.489 30 10 JEEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(N2CCNC2=O)CC1 1705725724 OLRXZAFFCPIULB-SFHVURJKSA-N 475.594 2.157 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCCN(C(C)C)CC1 1705894689 HPINWDGFNXNNTO-UHFFFAOYSA-N 474.009 2.084 30 10 JEEE CC1(C)CN(CCn2c(C(=O)Nc3ccccn3)nnc2N(CCC#N)CC2CC2)CCO1 1706955681 FMBIRAMSHNGQHJ-UHFFFAOYSA-N 452.563 2.166 30 10 JEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(NC(=O)C(C)C)CC1 1722325123 FOWKAVKFLRZCQV-UHFFFAOYSA-N 486.642 2.350 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCOC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1722359356 LRRRGQKMHLZOHH-XKGZKEIXSA-N 473.555 2.153 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1CCc1ccc(NC(C)=O)cc1)[C@H]1CCS(=O)(=O)C1 1722359782 BARLKYKZSVTFLU-QFIPXVFZSA-N 478.578 2.168 30 10 JEEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1Cc1ccn(C)n1)[C@@H]1CCS(=O)(=O)C1 1722363835 HEOBONHGKDWLQU-NHCUHLMSSA-N 452.584 2.229 30 10 JEEE C=C(Br)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1722481274 YHZFMESCZHUSTR-CYBMUJFWSA-N 452.744 2.458 30 10 JEEE C=C(C)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1722523726 LIMKVMNPGKYZJK-RUZDIDTESA-N 451.619 2.181 30 10 JEEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1722533983 FGKHZLMXBATVEG-QFIPXVFZSA-N 481.645 2.380 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](c2ccsc2)N(C)C)CC1 1722581739 LDOVOSGQZJYKQG-VQTJNVASSA-N 494.687 2.378 30 10 JEEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCN1C[C@H](C)O[C@@H](C)C1 1722638114 NFHBYCYVLBMWPW-ROUUACIJSA-N 461.636 2.360 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N(C)C[C@H]2CCN(C(C)=O)C2)cc1 1722703089 VJEVCHXZECSHKY-HXUWFJFHSA-N 454.575 2.334 30 10 JEEE CC(C)C(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCOC[C@H]2C)CC1 1723065974 BCNFDNDYKTYFJJ-LJQANCHMSA-N 465.602 2.278 30 10 JEEE CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCN(C)C(=O)OC(C)(C)C)CCO1 1729679468 IDADDVNBDJDZHM-LJQANCHMSA-N 483.573 2.025 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2CCCC(=O)NC2CC2)c1 1740562627 MCLSZWGMOJGUKO-LJQANCHMSA-N 464.570 2.287 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CC(C)(C)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1740625058 LYWIAQSXFUHGCX-MRXNPFEDSA-N 455.506 2.479 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1Cc1ccc(OCC2CC2)nc1)[C@H]1CCS(=O)(=O)C1 1740625115 DBMNNSJZZXXJEI-FQEVSTJZSA-N 457.600 2.335 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC(C)(C)OC)[C@@H]1CCS(=O)(=O)C1 1740626826 CTSKDMUGIBCAEM-KZNAEPCWSA-N 452.621 2.248 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CC(O)(CC)CC)[C@H]1CCS(=O)(=O)C1 1740627780 KMQGEMDZUHLIOH-IBGZPJMESA-N 460.600 2.343 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1C[C@@H]1C[C@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1740652570 FIRWNVVCNBOCOW-SESVDKBCSA-N 479.585 2.166 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCCN(C(C)=O)C1 1740671175 ANQFHUDXQDUWDT-UXHICEINSA-N 474.606 2.305 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H](c2ccc(C)cc2)N(C)C)CC1 1740692671 NYLKSABAIRWALX-JYFHCDHNSA-N 466.630 2.297 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccccc2C(F)(F)F)CC1 1740700954 OQDKEUFCYDTMIS-UHFFFAOYSA-N 476.503 2.449 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1740765295 TXMQACOKORDXBL-KCZVDYSFSA-N 460.623 2.101 30 10 JEEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1740867576 OKIFMOCEPOOMBW-UHFFFAOYSA-N 461.592 2.142 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCC(CN2CCOCC2)CC1 1740989264 HBSLMDXJKZRFNX-UHFFFAOYSA-N 459.616 2.095 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCOC2(CCCC2)C1 1740993719 CNVRWBDDGDFGHK-UHFFFAOYSA-N 451.618 2.384 30 10 JEEE CCN1CCN(C[C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@](C)(C(=O)NC)C2)CC1 1746459545 DGHSDDQMRODDSM-RXFWQSSRSA-N 478.645 2.053 30 10 JEEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1747729994 AKTDBBJBOASQGX-QZTJIDSGSA-N 477.491 2.000 30 10 JEEE C#CCN(c1nnc(C2CCCC2)n1CC1CCN(C(=O)OC)CC1)[C@@H]1CCS(=O)(=O)C1 1748815302 OJDDYSNDSAGVBF-LJQANCHMSA-N 463.604 2.041 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCO[C@H](C)C1 1748831583 QPVIQAWLGHPYCI-MOPGFXCFSA-N 455.584 2.083 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnccn3)n2C[C@@]2(O)CCCC2(C)C)n1 1748970715 ONGDVDPXCPITHY-DEOSSOPVSA-N 464.574 2.159 30 10 JEEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](c2ccccc2)C[C@@H]1C 1749037372 CCAPEDMALKQZOK-JBACZVJFSA-N 489.667 2.360 30 10 JEEE C#CCSCCn1c(N(C)[C@@H]2CCS(=O)(=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1749047648 BFPNHZSSERPGJM-IXDOHACOSA-N 483.660 2.039 30 10 JEEE C=C(Br)Cn1c(CNC(=O)c2cccs2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1749109202 FVZXFLOBQGWQNS-OLZOCXBDSA-N 490.449 2.436 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(C)cc2)nnc1N1CCN(CCOC)C(=O)C1 1749135931 JRYVOTXQACXPJD-RDPSFJRHSA-N 469.586 2.442 30 10 JEEE C=C(C)Cn1c([C@@H]2CCOC2)nnc1N1C[C@H](NC(=O)OC(C)(C)C)C2(CCS(=O)(=O)CC2)C1 1749193445 JKHPWCTZUOKWTO-MSOLQXFVSA-N 495.646 2.266 30 10 JEEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1749217063 YRGBHCLOOGFLBK-VQTJNVASSA-N 473.599 2.189 30 10 JEEE C=C(Cl)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(C(=O)NCCCOC)CC1 1749258384 WNLDTIAHOVVAOO-UHFFFAOYSA-N 485.980 2.042 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(N2CCSCC2)CCCC1 1749600213 RYGIBCUPDGESTP-LJQANCHMSA-N 483.704 2.181 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1749738372 KUSKXPXGZQTJDX-UHFFFAOYSA-N 475.663 2.057 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](c2ccc(F)cc2)C1 1760154834 JZDSFCVGEYTMSH-ICSRJNTNSA-N 461.563 2.157 30 10 JEEE C#CCN(c1nnc(-c2ccc3ccccc3n2)n1CCC(=O)N[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1760185021 NTHHPTYIILYLHH-ICSRJNTNSA-N 494.621 2.425 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@@H]1CCCOC1)[C@H]1CCS(=O)(=O)C1 1760191772 MYNWRVLOHXOLNY-PMACEKPBSA-N 458.584 2.219 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(O)CC(OCC)C1 1760248514 AXQXPWUUQUPMTF-USEFPYCQSA-N 491.633 2.409 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2Cc2cc(OC)c(OCC)c(OC)c2)CC1 1760259527 MYYQSYIGGHDFPM-FQEVSTJZSA-N 469.586 2.392 30 10 JEEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCCN(C(=O)C(C)C)CC1 1760279743 JJECOKCCGGDUSX-UHFFFAOYSA-N 493.637 2.253 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccccc2F)nnc1N1CCN(C(=O)NC)CC1 1760323396 CPGPNCAIGNRRRB-LAUBAEHRSA-N 458.538 2.439 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N1CCN(CC(=O)N(C)C)CC1 1760325064 OVMOWUGFOWFAIA-NTKDMRAZSA-N 486.592 2.188 30 10 JEEE C=C(C)COCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@@H](CC(N)=O)C1 1760355715 TVBOQWGPSUWXOT-INIZCTEOSA-N 451.531 2.278 30 10 JEEE C=CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1760437791 ODINNMKUGHIRFI-MRXNPFEDSA-N 456.572 2.264 30 10 JEEE C=CCCOCCn1c(-c2ccccc2F)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1760448853 RPRWTTMKDMPXSB-HSZRJFAPSA-N 456.522 2.491 30 10 JEEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1760526870 IMWKZSCMKQZEES-NRFANRHFSA-N 450.587 2.347 30 10 JEEE C=CCSCCn1c(Cc2ccccc2OC)nnc1N1CCc2nn(C)c(=O)cc2C1 1760566903 JAGILGWNZQARIR-UHFFFAOYSA-N 452.584 2.453 30 10 JEEE CCN1CCN(CCCn2c(-c3nnc(O)c4ccccc34)nnc2N(C)[C@@H](C)CC#N)CC1 1767156332 BQDRMWXXRLEILP-SFHVURJKSA-N 463.590 2.360 30 10 JEEE CCO[C@]1(c2nnc(N(C)Cc3ccc(C#N)cc3)n2CCN2CCOC[C@H]2C)CCOC1 1767388123 CRVIDULBXYIBCO-NTKDMRAZSA-N 454.575 2.159 30 10 JEEE N#Cc1cccc(C(=O)N2CCC(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)CC2)c1 1860620509 YTQONOGXUMHQMF-UHFFFAOYSA-N 460.534 2.484 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCO)[C@H]2c2ccc3c(c2)OCCO3)cc1OC 1862573642 HROXOZSGLRRVAM-NRFANRHFSA-N 455.463 2.436 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCNC(C)=O)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1F 1862642005 FVSPSVSSCIDKEQ-LJQANCHMSA-N 457.414 2.457 30 10 JEEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1cccc([N+](=O)[O-])c1 1862740068 NXUQPFIUYOCFPN-GOSISDBHSA-N 454.395 2.217 30 10 JEEE COc1cc([C@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2CCCNC=O)cc(OC)c1O 1862742670 FUGNNNRYILHRNB-IBGZPJMESA-N 485.449 2.032 30 10 JEEE C=CCN(CC=C)c1nc(=NCCN(CC)CC)[nH]c(=Nc2cc(OC)c(OC)c(OC)c2)[nH]1 1871565991 HKCJNZPFJAHRDU-UHFFFAOYSA-N 471.606 2.417 30 10 JEEE CC(C)(C)OC(=O)N1CC2(C1)CN(S(=O)(=O)c1cc(B3OC(C)(C)C(C)(C)O3)cs1)C2 2255940692 DBFKYJROHQHWHD-UHFFFAOYSA-N 470.422 2.289 30 10 JEEE C=C(CS(=O)(=O)N1CCO[C@@H](CN(C)C(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2255953949 QSOBPPIOZIOCPY-INIZCTEOSA-N 460.402 2.072 30 10 JEEE C[C@H](O)CN(CCNC(=O)OC(C)(C)C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2257633394 KZHHOESHQCTQSN-AWEZNQCLSA-N 454.398 2.395 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@H](C(=O)NC3CC(B4OC(C)(C)C(C)(C)O4)C3)O[C@H]2C1 2265142613 HGHOKTOUPLZBLE-LMNGEROHSA-N 452.357 2.131 30 10 JEEE CN(C(=O)c1nscc1B1OC(C)(C)C(C)(C)O1)[C@]1(CNC(=O)OC(C)(C)C)CCOC1 2266997918 DXDIBMFFTDORRS-NRFANRHFSA-N 467.397 2.198 30 10 JEEE COC[C@]1(NC(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)CCN(C(=O)OC(C)(C)C)C1 2267011380 DTJXZXHLOCIWMT-QFIPXVFZSA-N 450.341 2.335 30 10 JEEE CC1(C)OB(c2cc(C(=O)N3C[C@H]4OCCN(Cc5ccccc5)[C@@H]4C3)ns2)OC1(C)C 2267145151 BMHPAZALIUAKOW-RTBURBONSA-N 455.389 2.168 30 10 JEEE CN(C[C@H]1CN(C(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)CCO1)C(=O)OC(C)(C)C 2267251532 KHVUEKWBJMKUOI-AWEZNQCLSA-N 467.397 2.150 30 10 JEEE CCN(C(=O)OC(C)(C)C)[C@H](C)CNC(=O)c1c(C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2267516305 BWNPWFRNIXEHFG-CQSZACIVSA-N 450.389 2.403 30 10 JEEE N#Cc1cc(NS(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)ccc1Br 2270540435 OKCBZJNVMLMGGV-MRXNPFEDSA-N 482.312 2.442 30 10 JEEE Cc1cnc(C(=O)N2C[C@H](NC(=O)C(F)(F)F)CC[C@H]2C)c(B2OC(C)(C)C(C)(C)O2)c1 2281951665 MDEPQOVMTZBXCZ-ZIAGYGMSSA-N 455.286 2.361 30 10 JEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CC[C@@H](N(C)C(=O)OC(C)(C)C)CC2)n1 2281955601 NEQLXOUZWKEJAT-GASCZTMLSA-N 463.388 2.022 30 10 JEEE Cn1nc(C(=O)N2CC[C@H](C3CN(C(=O)OC(C)(C)C)C3)C2)cc1B1OC(C)(C)C(C)(C)O1 2281960535 AVQFVXLOTRMKHH-HNNXBMFYSA-N 460.384 2.048 30 10 JEEE CC1(C[S@](C)(=O)=NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2281978265 AOYAJIXDGFISIQ-XIFFEERXSA-N 482.412 2.204 30 10 JEEE Cc1nn(C)c(C(=O)N[C@H]2CCOC[C@@H]2OCc2ccccc2)c1B1OC(C)(C)C(C)(C)O1 2281991970 HZNNXFHQLNKUIM-OALUTQOASA-N 455.364 2.132 30 10 JEEE CC(C)(C)OC(=O)N1CC(O)(CCNC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2Cl)C1 2281994776 UHHKZAFPDXFOQS-UHFFFAOYSA-N 481.786 2.136 30 10 JEEE Cc1ccnc(C(=O)N[C@@H]2COCC[C@H]2NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2282002606 QITCAFFWRSIIGW-HZPDHXFCSA-N 461.368 2.101 30 10 JEEE CC(C)(C)OC(=O)NCCCN1CCN(C(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)CC1 2282014386 GFBILAPCOGBJPT-UHFFFAOYSA-N 480.440 2.115 30 10 JEEE CC(C)(C)OC(=O)NC[C@@]12CN(C(=O)c3sncc3B3OC(C)(C)C(C)(C)O3)C[C@@H]1CCO2 2282063765 QHPZULSCDPQMKM-RCDICMHDSA-N 479.408 2.198 30 10 JEEE CCc1nc(C(=O)N[C@@H]2COCC[C@@H]2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2282527148 YYRCAMPPOHXZSB-UONOGXRCSA-N 481.424 2.417 30 10 JEEE Cn1cc(C(=O)N2C[C@@H]3CC[C@@H](NC(=O)OC(C)(C)C)[C@H]3C2)c(B2OC(C)(C)C(C)(C)O2)n1 2282577735 ITJAWPYAOUNHEZ-YQQAZPJKSA-N 460.384 2.095 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1CC(F)(CNC(=O)OC(C)(C)C)C1 2282581768 MKZAXEBJDCLIAG-UHFFFAOYSA-N 466.363 2.153 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2C[C@H](C1)C2NC(=O)OC(C)(C)C 2282588151 SCCBQRHKPHZFKM-FKEKPDDDSA-N 460.384 2.013 30 10 JEEE CC1=C(B2OC(C)(C)C(C)(C)O2)CCN(C(=O)[C@H]2CN(C)C(=O)CN2C(=O)OC(C)(C)C)C1 2283977485 PXDDZSSDEYGZJK-QGZVFWFLSA-N 463.384 2.244 30 10 JEEE COC(=O)[C@@H](CS(=O)(=O)Nc1ccc(Cl)c(C#N)c1)NC(=O)OCc1ccccc1 2286055395 CUEXKLRKPJWZDS-QGZVFWFLSA-N 451.888 2.421 30 10 JEEE CNC(=O)[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@@H]1C1CCN(C(=O)NCCOC)CC1 2297650075 HNZUYVQZENAFTO-RTBURBONSA-N 481.519 2.443 30 10 JEEE COc1nc(O[C@H]2COCCN(C(=O)OC(C)(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2339823588 HPLYOFYFWCUHPK-OAHLLOKOSA-N 450.341 2.404 30 10 JEEE Cc1c(C(=O)NC[C@H]2[C@@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)nn(C)c1B1OC(C)(C)C(C)(C)O1 2359263050 IKXYBHLRUPHGQI-OWCLPIDISA-N 460.384 2.013 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1[C@@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2 2359267668 VJACIDHIZSJYSI-BZUAXINKSA-N 460.384 2.013 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCCN(C(=O)OC(C)(C)C)C[C@@H]2C)n1C 2362341399 SMMUTYXWCGEMAI-HNNXBMFYSA-N 462.400 2.499 30 10 JEEE CN(C[C@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CC12CC2)C(=O)OC(C)(C)C 2366024175 RQUXIYABKDDVKK-HNNXBMFYSA-N 460.384 2.428 30 10 JEEE CCCn1c(=O)n(CCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c2ccccc21 18039277 JVROJLFQTAKPJR-UHFFFAOYSA-N 481.578 2.008 30 10 JEEE NS(=O)(=O)c1ccc(NC(=O)CSc2n[nH]c(N/N=C/c3ccccc3Cl)n2)cc1 20833409 IVMZPHOOVQGCBQ-AWQFTUOYSA-N 465.948 2.282 30 10 JEEE CC(=O)Nc1cccc(NC(=O)CSc2nnc(N/N=C(\C)c3ccccc3O)n2N)c1 59829663 MCEMOZNYMQRMFI-WYMPLXKRSA-N 454.516 2.223 30 10 JEEE CCOC(=O)[C@@H]1CCCN(c2nc3c(c(=O)[nH]2)[C@@H](c2cc(F)cc(F)c2)[C@@H](C#N)C(=O)N3)C1 72445777 XOKBNUBNQBVACZ-LYRGGWFBSA-N 457.437 2.051 30 10 JEEE COC(=O)c1c(C)oc(NC(=O)[C@@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2)c1C#N 170521514 HXPWJARTMZOLTE-OAHLLOKOSA-N 455.467 2.293 30 10 JEEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)Cc3ccccc3-4)C2)CC1 512713437 BDWYYUFQCVDINH-OAQYLSRUSA-N 458.562 2.057 30 10 JEEE C#CCN(CC#N)C(=O)c1cc(I)cc(I)c1O 701292858 JINAJNYXGQJPBO-UHFFFAOYSA-N 466.016 2.200 30 10 JEEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)cc1 749125807 DTZXEAYKUNMELF-CZEALIGGSA-N 496.636 2.353 30 10 JEEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)Cn2ccc(Br)cc2=O)CC1 1135612691 GOKLKBLMNTZHHG-UHFFFAOYSA-N 458.272 2.079 30 10 JEEE C=C(C)CN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)Cc1cnn(C(C)C)c1 1170204920 FWSUCVSTKNJTNV-UHFFFAOYSA-N 459.616 2.375 30 10 JEEE COC(=O)[C@@H](c1cc(OC)ccc1Br)N(C)CC(=O)N(CCC#N)CCC#N 1194533583 FBQWZFMYHUKHNI-GOSISDBHSA-N 451.321 2.260 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1CCc1ccccn1)[C@@H]1CCS(=O)(=O)C1 1286388399 OORUYPMQQUZEGR-LJQANCHMSA-N 481.578 2.227 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CN(CC(C)C)CCO1 1286460040 SWAFANANMJHXQL-IBGZPJMESA-N 493.450 2.489 30 10 JEEE C=C(C)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC(CNC(C)=O)CC1 1286584637 PBAUBXDUTQNYIC-UHFFFAOYSA-N 459.620 2.475 30 10 JEEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](c2cccc(F)c2)C1 1286608620 SLNHWHNXPFVJRS-CTNGQTDRSA-N 493.605 2.337 30 10 JEEE C=CC1CCN(c2nnc(CN3CCCC3=O)n2CC[C@@H](N2CCOCC2)C(F)(F)F)CC1 1286665100 RTLOFDFEBDKZTL-GOSISDBHSA-N 470.540 2.456 30 10 JEEE C=CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCO[C@H](C(=O)NC)C1 1286700044 XPLDJRIDJQWXDX-MSOLQXFVSA-N 462.595 2.310 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 1286784698 QRCDLCQQOADJJI-MRXNPFEDSA-N 484.557 2.422 30 10 JEEE C=CCSCCn1c(Cc2ccccn2)nnc1N1CCN(c2nccc(OC)n2)CC1 1286833455 DGYUABGJQYOEME-UHFFFAOYSA-N 452.588 2.308 30 10 JEEE CCN(CC)C(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCSC2)CC1 1295353172 CWXYXDOXKACOGR-XMMPIXPASA-N 499.641 2.181 30 10 JEEE CCS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(F)(F)F)C1 1297787081 GQFUJYLTSGKSSQ-MRXNPFEDSA-N 486.520 2.447 30 10 JEEE CN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 1297997882 DNVCGSLZXKEAMD-KRWDZBQOSA-N 453.547 2.256 30 10 JEEE C#CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1300347859 GPHKWOLGXQVKFG-BGYRXZFFSA-N 463.590 2.270 30 10 JEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1300421787 RIBFPMMFIKYOKP-LJQANCHMSA-N 467.599 2.402 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 1300483649 MKYKUQCGLXPHTO-UTKZUKDTSA-N 464.613 2.055 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1CCc1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 1300494151 ZBOBXWXDUNZKTH-SFHVURJKSA-N 456.959 2.258 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CCC(=O)NCc1ccccc1 1300579877 ZBZFNDHHQNHKKR-UHFFFAOYSA-N 458.522 2.175 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(N(C)C)c(F)c1 1300649954 QHHAEPOMMKKMCG-UHFFFAOYSA-N 451.506 2.265 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@H]2CCS(=O)(=O)C2)CC1 1300691123 XDIJQGVBRJLBBN-OAHLLOKOSA-N 468.410 2.442 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N(C)CCN2CCOCC2)nnc1[C@]1(OC(C)C)CCOC1 1300897468 RVIYWCGNUDAPKT-DPLHUUCSSA-N 463.623 2.068 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 1300991837 WDTDEFMHSQHXIC-MSOLQXFVSA-N 483.635 2.219 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCN1C(=O)OC(C)(C)C 1301371485 DCAGDLMLIZICCI-IAGOWNOFSA-N 468.624 2.466 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCOC3)n2CCCNC(=O)c2cccc(O)c2)C1 1301556889 KDOSFGUDLYOBPD-FPOVZHCZSA-N 455.559 2.479 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CCCN1CCOC1=O 1305792311 AQFWATXQLYEEEZ-NRFANRHFSA-N 495.584 2.488 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CCSC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1358956135 AWVVKCPGISCZDV-YJBOKZPZSA-N 496.577 2.198 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2Cc2nccs2)CC1 1359030969 LOPCQOWFPNYPHV-UHFFFAOYSA-N 454.556 2.231 30 10 JEEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)Cc1ccc(F)cc1 1359057181 UOLIOYDUIBKHQA-LJQANCHMSA-N 481.619 2.143 30 10 JEEE C#CCSCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CC(C)(OC)C1 1359060338 RXVKVAUXZSNYQQ-UHFFFAOYSA-N 454.644 2.234 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(CNC(C)=O)CC1 1359118386 GRPMFHZZYNOMQG-UHFFFAOYSA-N 460.604 2.124 30 10 JEEE C=C(Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1)c1ccccc1 1359136991 AXDAOVFGFJAYLU-OFNKIYASSA-N 479.629 2.119 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCCCN2CCC)CC1 1359164822 ARAUCCWSIYXMPW-VQTJNVASSA-N 466.652 2.032 30 10 JEEE C=CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(CCOC)CC1 1359214037 PYDLXRKQZWSBQT-UHFFFAOYSA-N 451.575 2.410 30 10 JEEE C=CCn1c(CC(C)(C)C)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1359287936 GXULMEJQWBMMJH-OAGGEKHMSA-N 453.609 2.179 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCC(CC(=O)N2CCN(CC)CC2)CC1 1359297420 PODWZLHYNNJKSK-UHFFFAOYSA-N 493.656 2.326 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1359301880 OKSUISSBLXNORM-NRFANRHFSA-N 450.587 2.222 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Br)s3)n2CCS(=O)(=O)NC)C1 1359315253 QPLJOMLUYRSNHQ-LBPRGKRZSA-N 476.422 2.100 30 10 JEEE C=CCn1c(S)nnc1-c1sc(NC(=O)[C@H]2CN(C(=O)C(C)(C)C)CCO2)nc1C 1464911637 ZRSIKEVCGKBKIZ-GFCCVEGCSA-N 450.590 2.397 30 10 JEEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(-c2ccc[nH]2)n1CCN(C)CC(F)(F)F 1494135507 DZKUGSXYXJWEAB-HNNXBMFYSA-N 474.495 2.144 30 10 JEEE CCC(CC)[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cn2)CC1)N(C)C 1496661561 DQWXKMQZGMPZOA-NHCUHLMSSA-N 479.633 2.189 30 10 JEEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1507572819 YAYZXSUFLFMKML-UHFFFAOYSA-N 486.642 2.429 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@H](CC(C)C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1507628927 JBMVGOYQJMPECS-YADHBBJMSA-N 468.627 2.420 30 10 JEEE C#CCSCCn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1507745085 SSMNLFDOKPBIIX-UHFFFAOYSA-N 475.018 2.138 30 10 JEEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1507751581 KVRSNZIJSGTGIL-GOSISDBHSA-N 493.637 2.252 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC1(O)CCS(=O)(=O)CC1 1507764428 MEVOHLULQWPVRC-VGOFRKELSA-N 476.574 2.489 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@](O)(c2ccc(C)cc2)C1 1507806033 NWFXLTKEYZLZLV-FPRSRYDQSA-N 489.642 2.276 30 10 JEEE C=C(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(C(=O)NCCCOC)CC1 1507831583 AGHGUKIAUOKTRQ-UHFFFAOYSA-N 482.633 2.397 30 10 JEEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1507910661 ZBJHMQHVJSTROP-SFHVURJKSA-N 480.617 2.317 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1508087493 SJFHBONFHCDVJP-HXUWFJFHSA-N 464.549 2.205 30 10 JEEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCC(NC(=O)Nc2ccc(F)cc2)CC1 1508095462 PNAVNCVFMXYHQU-UHFFFAOYSA-N 455.538 2.462 30 10 JEEE CCC(CC)[C@@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1)N(C)C 1513296738 HACIGMNIWPPYSN-NHCUHLMSSA-N 495.694 2.107 30 10 JEEE CCN1CCN([C@@H](C)Cn2c(-c3ccc(OC)c(OC)c3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1515891128 DAYVKSVMJYNSKL-MHECFPHRSA-N 471.581 2.430 30 10 JEEE CN(C)CC(C)(C)Cn1c(Cc2ccncc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1517007643 FJYFZVGVHWRIEX-UHFFFAOYSA-N 459.602 2.445 30 10 JEEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)N(C)C1CCCCC1 1517105421 HPYHIWLNRNYBNA-HXUWFJFHSA-N 484.626 2.479 30 10 JEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2cc(S(C)(=O)=O)cc(C)c2C)c1 1518825849 KMOQINJIBINVRF-UHFFFAOYSA-N 454.548 2.194 30 10 JEEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2c3ccccc3N(C(=O)OC(C)(C)C)C2(C)C)C1=O 1536256259 PXKIDNXEKVRROB-QGZVFWFLSA-N 456.499 2.354 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCCN1CCN(CC)CC1 1538966281 XFAPKAMSALPIKZ-IBGZPJMESA-N 472.037 2.347 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CC(C)(C)CN(C)C)c1 1539039114 YYQLYHVLIRXEQN-UHFFFAOYSA-N 465.602 2.158 30 10 JEEE C#CCCCCn1c(N2CCN(C(=O)c3ccc(O)cc3)CC2)nnc1[C@]1(OCC)CCOC1 1539086126 BOVGRXJFTYCHFI-VWLOTQADSA-N 467.570 2.402 30 10 JEEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1539124426 GHEBRIAHDSVMHO-NJYVYQBISA-N 488.633 2.157 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1CCN1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1539229222 AMZWWQWMHJVPQK-FQEVSTJZSA-N 489.617 2.355 30 10 JEEE C#CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1ccc(C)nc1 1539400590 HZQZJHSUZWNXEV-UHFFFAOYSA-N 467.599 2.384 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@](C)(O)c2cccc(Cl)c2)CC1 1539462008 AJGAAOGZYGNAAY-RUZDIDTESA-N 499.015 2.041 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H]2CCOC[C@@H]2C)CC1 1539484630 XASGJGOAROJDSW-QFBILLFUSA-N 456.616 2.272 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)Oc1cccc(OC)c1 1539539102 PTFXJIRRJMNABG-PNLZDCPESA-N 461.588 2.357 30 10 JEEE C=C(Br)Cn1c(N2CCN(CC(C)C)C(=O)C2)nnc1[C@]1(OCC)CCOC1 1539608828 DOXGILLULUFUPS-IBGZPJMESA-N 456.385 2.143 30 10 JEEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1539612514 MPOMSCZBZSWBQB-RIFZZMRRSA-N 481.395 2.396 30 10 JEEE C=CC[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1)c1ccccc1 1539938469 ABYIXWMANYUAJS-FPOVZHCZSA-N 486.642 2.449 30 10 JEEE C=CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1539981939 PDIJPMPRPQCMLQ-UHFFFAOYSA-N 484.557 2.458 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC1(O)CCC1 1540133507 KKWXLXYUHDYTFB-HXUWFJFHSA-N 475.615 2.109 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@]2(CCSC2)C1 1540871651 QFAPIVUSPDOFHE-HXOBKFHXSA-N 492.646 2.222 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC2(N(C)C)CCC2)C1 1540886072 UYIQTVXZJDTVAU-FQEVSTJZSA-N 488.658 2.461 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCO[C@H](c2cccc(F)c2)C1 1540901334 ADDAIJDAGWZKHU-IBGZPJMESA-N 458.519 2.053 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1540903871 JDVODQOFEPRDMB-LJQANCHMSA-N 480.034 2.428 30 10 JEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCS(=O)(=O)C[C@@H]1C1CC1 1543629652 HBBWMROAABRIFK-OAHLLOKOSA-N 457.346 2.134 30 10 JEEE CCS(=O)(=O)N1CCC([C@@H]2CN(c3ccc(C#N)c(C(F)(F)F)c3)C[C@H]2C(=O)NC)CC1 1548397335 LEFHFGBTRGKWAQ-ZWKOTPCHSA-N 472.533 2.437 30 10 JEEE Cn1cc(C(=O)N2CCC([C@@H]3CN(c4ccc(C#N)c(C(F)(F)F)c4)C[C@H]3C(N)=O)CC2)cn1 1548397465 WQVNBPQZDOQVKJ-RBUKOAKNSA-N 474.487 2.401 30 10 JEEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCSC1 1554165025 GAXWMZIAMJCALV-WOJBJXKFSA-N 490.655 2.262 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1CCOC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1588034902 NJGLOMIKRFSQFU-GOSISDBHSA-N 476.599 2.404 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H](C)Oc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1588053955 JFTKJVSDQRUFOW-XUVXKRRUSA-N 458.584 2.185 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC[S@@](=O)CC 1588645916 FEBAPOLIULGSLV-UPTQXZAWSA-N 467.636 2.247 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2CN(CC(C)C)CCO2)CC1 1588761773 AXHWFHVBHYVUOG-IBGZPJMESA-N 490.450 2.148 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CC[S@@](=O)C(C)(C)C)CC1 1588907277 AKMGSYAHRXLARP-PGUFJCEWSA-N 499.637 2.229 30 10 JEEE C#CCSCCn1c(COc2cccc(C)c2)nnc1N1CCC(NS(C)(=O)=O)CC1 1589110326 SQWZEJYANQQBLP-UHFFFAOYSA-N 463.629 2.050 30 10 JEEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1595577353 QDZLIHMQVPFOHT-SFHVURJKSA-N 480.573 2.042 30 10 JEEE C=CCOc1ccccc1Cn1c(Cn2nc(C)cc2C)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1595664807 KJUYYARNLRXCAZ-HXUWFJFHSA-N 470.599 2.376 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCO[C@H](Cc2ccccc2)C1 1595812483 VTOLLVUYEOFRIR-JOCHJYFZSA-N 467.595 2.313 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H]2CCSC3(CC(C(=O)OC)C3)C2)ccc1F 1603492968 MHBHEMHNFLQLBS-RDYUPDBUSA-N 456.561 2.237 30 10 JEEE CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCOC[C@@H]2C)C1 1614908738 HAJSMNPFQUCMOQ-SIKLNZKXSA-N 465.602 2.280 30 10 JEEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC[C@@H](C)N1CCCCC1 1616922546 DFDWKPZZLXSEBL-WOJBJXKFSA-N 467.622 2.456 30 10 JEEE CN(Cc1nccs1)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCS(=O)(=O)C1 1618024540 HGSPYUTYJLGWOA-MRXNPFEDSA-N 458.569 2.256 30 10 JEEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@@H](CCC(N)=O)N1C(=O)c2ccccc2C1=O 1627292163 STKDSOOAUBSTIR-HXUWFJFHSA-N 451.527 2.299 30 10 JEEE C=CCCCCNC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 1666343466 UCUZNVXDYMCVMT-UHFFFAOYSA-N 452.577 2.022 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 1689861648 YKJNQFRMPNRZMI-XLIONFOSSA-N 450.543 2.024 30 10 JEEE C#CCN(CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC(C)(C)N1CCOCC1 1690082509 DPRPRBBBCZIFPD-UHFFFAOYSA-N 479.673 2.213 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2Cc2ccc(N3CCSCC3)cc2)CC1 1690112021 OKSOLVURTHPJIQ-NRFANRHFSA-N 484.670 2.359 30 10 JEEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2CCN2CCN(C)C(C)(C)C2)CC1 1690132044 FHDGBQYXSRYXTM-UHFFFAOYSA-N 479.673 2.255 30 10 JEEE C=C(Br)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC(=O)N(C)C[C@H]1C 1690220802 AWNLVOBDNBDYAF-CYBMUJFWSA-N 496.435 2.122 30 10 JEEE C=C(C)COCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1690309581 DQFXUBRVHFGVIR-KRWDZBQOSA-N 481.557 2.062 30 10 JEEE C=C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC1 1690366378 YYGQNNMUVVFUTR-HYBUGGRVSA-N 460.623 2.029 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC(CN2CCOCC2)CC1 1690661757 GHTSIPQPCYPXCX-UHFFFAOYSA-N 490.555 2.397 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)CCN1CCOC(C)(C)C1 1690672476 SSSMYGFSNJSDLZ-UHFFFAOYSA-N 461.010 2.372 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Br)cc2)nnc1N1CC[C@](F)(C#N)C1 1690676017 MZSPYDBRRSAATC-IBGZPJMESA-N 463.311 2.364 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC[C@H](Oc3ncccc3F)C2)nnc1[C@@]1(OC(C)C)CCOC1 1690676749 CCODAWGSCHHPLM-MHECFPHRSA-N 488.564 2.203 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCNC(=O)C1 1690715972 YYCPVPPNRMVVFP-INIZCTEOSA-N 482.006 2.225 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 1690724391 NUMPITAXEOUERM-UYAOXDASSA-N 468.620 2.142 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1690731527 KTXSHDVBZMKFSF-YVSFHVDLSA-N 462.563 2.330 30 10 JEEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCNC(=O)C2CCC2)[C@@H](C)C1 1690859557 QXMUUHQVPKWECV-SFHVURJKSA-N 479.585 2.092 30 10 JEEE CC(C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2nccs2)CC1 1692564721 AFHQGTAURXFBOG-UHFFFAOYSA-N 464.599 2.163 30 10 JEEE C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(CC(=O)N(C)C)CC1)N1CCOCC1 1692696366 FALCQPIYJLTJGI-LJQANCHMSA-N 465.602 2.232 30 10 JEEE CCc1nsc(N2CCN(c3nnc(-c4ccc(C#N)cc4)n3CC(C)(C)C(=O)NC)CC2)n1 1694771366 CORYXNXRDZTQDF-UHFFFAOYSA-N 479.614 2.329 30 10 JEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](CN2CCCC[C@@H]2C)C1 1705524838 SUMFEOZIZYMKKE-UFYCRDLUSA-N 450.653 2.393 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1CCOc1ccc2c(c1)OCO2)[C@@H]1CCS(=O)(=O)C1 1705561115 QDJBOLRYEHOAEJ-MRXNPFEDSA-N 460.556 2.010 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1Cc1ccc(N2CCO[C@H](C)C2)nc1)[C@@H]1CCS(=O)(=O)C1 1705561750 WJLJPXCDWIGFEU-SFHLNBCPSA-N 486.642 2.087 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1CCCn1nc(C)cc1C)[C@@H]1CCS(=O)(=O)C1 1705563876 HHTKJBUNGBXCAY-HXUWFJFHSA-N 482.610 2.484 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCc1ccncc1)[C@@H]1CCS(=O)(=O)C1 1705570031 JVGVGWSHJPHNJX-OAQYLSRUSA-N 453.543 2.272 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 1705571729 GSNBXDMTXCABNK-INDMIFKZSA-N 450.605 2.002 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1cnn(CCOC)c1 1705588031 TUQATSQKHSPKCD-BGYRXZFFSA-N 467.574 2.013 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H](C)N2CCC(C)CC2)CC1 1705644246 JWASVELVFDHZIZ-FQEVSTJZSA-N 485.677 2.283 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2CCN2CCCCC2)CC1 1705649430 XRQCSAJKLWNZND-UHFFFAOYSA-N 450.587 2.405 30 10 JEEE C#CCSCCn1c(-c2cccnc2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1705658659 WZTRNTTWKKWZFC-UHFFFAOYSA-N 450.572 2.140 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2ccc(F)cc2)C1 1705662294 VNJYXTWBPKEMFX-IEBWSBKVSA-N 464.588 2.264 30 10 JEEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)Cc1ccc(C#N)cc1 1705895507 IZCKRZZXENESGB-UHFFFAOYSA-N 492.609 2.357 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CC[C@@H](C(=O)N(C)c2ccccc2)C1 1705932302 RMJSOJMWVNGOEQ-LJQANCHMSA-N 480.594 2.430 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC(OC[C@H]2CCCCO2)CC1 1705936232 MCQYPLIISQUMHZ-PZJWPPBQSA-N 482.647 2.327 30 10 JEEE CNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 1711397223 HOBLJKSEBUBDQB-QGZVFWFLSA-N 453.547 2.304 30 10 JEEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCn1cc(Br)cn1 1722356470 OVCAUEYPZBHCLO-UHFFFAOYSA-N 497.445 2.371 30 10 JEEE C#CCN(c1nnc(-c2cccc3cccnc23)n1C[C@@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1722362741 OFONERRNEDYTPX-JPYJTQIMSA-N 453.568 2.281 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OC)n2CCC(=O)NC(C)(C)C)CC1 1722450629 NXSFIFSXNGRGRV-UHFFFAOYSA-N 496.612 2.136 30 10 JEEE C#CCSCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)C[C@@H]1CCOC1 1722452827 SSFJSGVENJTDGL-KRWDZBQOSA-N 462.645 2.386 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccccc1S(=O)(=O)N(C)C 1722474235 AUFQXZWOCDICPK-ZCVJKFOLSA-N 487.626 2.293 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C#N)cc2)n1CCS(=O)(=O)NC(C)C 1722498103 OOOWKHQNFVZTNN-JOCHJYFZSA-N 456.572 2.049 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(Cl)cc2F)C1 1722717373 AGDXHIWAQFZOQS-HKUYNNGSSA-N 499.996 2.233 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1722723588 AGEOBOFGMLRSOD-OAQYLSRUSA-N 497.524 2.178 30 10 JEEE CO[C@@]1(Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CCC(C#N)CC2)CCOC1 1729940177 HQUHTWFQRWUIQP-JOCHJYFZSA-N 458.950 2.407 30 10 JEEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@@H](OCCOC)C1 1740587303 FTPNXQWWXIQXMM-GOSISDBHSA-N 460.604 2.283 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC[C@@H]1CCc2ccccc21)[C@@H]1CCS(=O)(=O)C1 1740616333 YZXLBNUPZBCTIS-VQTJNVASSA-N 469.611 2.163 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1Cc1c(CC)nn(C)c1OC)[C@H]1CCS(=O)(=O)C1 1740625579 OLVKEMYMVRVKOU-FQEVSTJZSA-N 496.637 2.157 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCc1c[nH]nc1C 1740640371 LWTGSOJCBXNIFU-FQEVSTJZSA-N 467.574 2.324 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(C)cc1N1CCOCC1 1740644400 DUXIAGIUUGZJJP-UHFFFAOYSA-N 460.582 2.170 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(C)oc2ccccc12 1740657099 PJALEFIJHCEBQI-QFIPXVFZSA-N 481.578 2.177 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H](C)CNC(=O)OC(C)(C)C)CC1 1740688139 ATCFMNCELVOKDO-SFHVURJKSA-N 475.638 2.113 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H](OC)c2ccccc2)CC1 1740691940 DAGBDIBUMVSPFU-RDGATRHJSA-N 453.587 2.462 30 10 JEEE C#CCSCCn1c(COc2ccccc2OC)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1740722410 IOMOTHVFPXWRBN-PMACEKPBSA-N 471.627 2.389 30 10 JEEE C=C(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1740783914 ZYBQFLICJGBQFP-WOJBJXKFSA-N 468.650 2.342 30 10 JEEE C=C1CCN(c2nnc(Cc3ccccc3OC)n2CCS(=O)(=O)N2CCSCC2)CC1 1740827107 JTMICMIROWECTH-UHFFFAOYSA-N 477.656 2.413 30 10 JEEE C=CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1740862315 PPRSLHQWDGLMBB-YLJYHZDGSA-N 480.569 2.391 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(c2ccc(F)c(OC)c2)CC1 1740957599 TYNZVVKBBWZCPJ-UHFFFAOYSA-N 451.506 2.117 30 10 JEEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCCN(CC(F)(F)F)CC1 1740962705 MFMUXXXQAPOFPY-UHFFFAOYSA-N 480.535 2.449 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2CCNC(=O)Cc2cccc(F)c2)C1 1740979437 FDZHLMQBXJTHGA-PZJWPPBQSA-N 457.550 2.451 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCCO[C@@H](C)C1 1740987408 GHNYSRJWTFGSQN-INIZCTEOSA-N 450.561 2.178 30 10 JEEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1748759380 JAOKAIJUUQTJSY-UHFFFAOYSA-N 481.626 2.372 30 10 JEEE C#CCN(c1nnc(-c2nnc(O)c3ccccc23)n1CCCOC(C)C)[C@@H]1CCS(=O)(=O)C1 1748814755 IWLLOZUPHSEHCO-QGZVFWFLSA-N 484.582 2.036 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(-c3ccccc3)on2)n1CCNS(=O)(=O)CC 1748888622 ZZZAQRZXRYQXSX-UHFFFAOYSA-N 452.540 2.002 30 10 JEEE C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)C[C@H](C)CC 1749103806 DQHSMAYOUZZVMD-HIFRSBDPSA-N 464.430 2.392 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)NC[C@H]2C1 1749368307 GHGNSATYOVUTSF-ZWKOTPCHSA-N 489.621 2.403 30 10 JEEE N#C[C@]1(F)CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCNS(=O)(=O)Cc2ccon2)C1 1750379742 HEHYOOMCQUSIIQ-LJQANCHMSA-N 497.915 2.287 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccccc1CN1CCC(O)CC1 1760099222 DAWPLLOKVZNDSL-RXFWQSSRSA-N 467.614 2.393 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CC2(CCOC)CC2)c1 1760128594 MYUQTVJNXMZJOK-IBGZPJMESA-N 450.543 2.102 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CC2(CCOC)CC2)c1 1760128595 MYUQTVJNXMZJOK-LJQANCHMSA-N 450.543 2.102 30 10 JEEE C#CCN(c1nnc(-c2ccccc2)n1CCCNc1ccccn1)[C@H]1CCS(=O)(=O)C1 1760183480 BPONNZQYMATMMM-FQEVSTJZSA-N 450.568 2.469 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H](OC)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1760192888 PFHZJHAAHJREEI-CMOCDZPBSA-N 488.610 2.017 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC[S@@](=O)C(C)(C)C 1760216485 PHQMYFREFXRJQL-MGBGTMOVSA-N 464.595 2.202 30 10 JEEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2C[C@@H](OC(C)(C)C)C2(C)C)CC1 1760261164 LVUPMJWVFBIBCL-WOJBJXKFSA-N 456.635 2.386 30 10 JEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 1760281815 XTAFSBLQXAFZIT-DLBZAZTESA-N 462.620 2.431 30 10 JEEE C=C(C)COCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CC(=O)N(C)[C@H](C)C1 1760355547 NUTHKUGYVCBFFQ-GOSISDBHSA-N 479.585 2.496 30 10 JEEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2nnc(C(C)C)o2)C1 1760440694 OOVXWHFWPKRRCT-HZPDHXFCSA-N 450.565 2.231 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1760503137 ABFONJGFSFCQII-ZCNNSNEGSA-N 467.636 2.015 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CC(C)(C)C(=O)NCC)C1 1760545296 RKRCFKXYVSECSU-QGZVFWFLSA-N 479.585 2.136 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCS[C@H](C)[C@@H]1C 1760555534 HUDKFZXSFIQFBV-ZWKOTPCHSA-N 491.687 2.383 30 10 JEEE CC(C)C(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCOCC2)C1 1760842180 DZERKXFLLRBIBE-FQEVSTJZSA-N 466.586 2.347 30 10 JEEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1768244683 AGWXSTRTCSIZMS-LJQANCHMSA-N 472.615 2.240 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@H]2c2ccc(C(=O)O)cc2)cc1OC 1862572998 RGENXIZOPKKBOZ-FQEVSTJZSA-N 468.462 2.116 30 10 JEEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccccc1[N+](=O)[O-] 1862609905 XVHZRZBHGWDDEZ-HXUWFJFHSA-N 467.434 2.080 30 10 JEEE COCCn1cc(OCC(=O)N2CCOCC2)c(=O)cc1CSc1nc(C)c(C)c(C)c1C#N 1870310205 ZJCGZUCHFMDHGF-UHFFFAOYSA-N 486.594 2.217 30 10 JEEE C=CCN=c1nc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)[nH]c(=Nc2ccc3c(c2)OCO3)[nH]1 1871535428 AFBVLINQJOLASH-UHFFFAOYSA-N 476.497 2.020 30 10 JEEE CC(=O)NS(=O)(=O)c1ccc(NC(=O)CCc2c(C)c(C#N)c3[nH]c4ccccc4n3c2=O)cc1 1874018141 CVLFPTWPYPVEGH-UHFFFAOYSA-N 491.529 2.357 30 10 JEEE CCCNC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1ccc(OC)c(O)c1 1874338495 SDPBFJNCQOJHEL-JKHIYUEESA-N 474.587 2.217 30 10 JEEE CCCNC(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1cc(Br)ccc1F 1874432785 XGMIASHHEIWOPB-GZIVZEMBSA-N 471.356 2.316 30 10 JEEE CCOc1cc(/C=N/n2c(CNC(C)=O)nnc2SCC(=O)Nc2nccs2)ccc1O 1874433073 BXZBYTFMNGKVJQ-LSFURLLWSA-N 475.556 2.088 30 10 JEEE COc1ccc(CCN=C(NC[C@H]2COCCO2)N2CCN([C@@H](C)c3ccccn3)CC2)cc1 2087917908 JCZJPGNNUORTJR-URXFXBBRSA-N 467.614 2.373 30 10 JEEE COC[C@]1(C(=O)N2C[C@H]3C(B4OC(C)(C)C(C)(C)O4)[C@@H]3C2)CN(C(=O)OC(C)(C)C)CCO1 2180983481 CWHASANHPNRJNA-LNPFQXMTSA-N 466.384 2.190 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N1C[C@@H]2CN(C(=O)OC(C)(C)C)[C@H](CO)[C@H]2C1 2227292526 BTJCJVHPUSIWEG-XMTFNYHQSA-N 466.579 2.260 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1COC[C@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2255703286 QQBKGPWBIYKMCY-UONOGXRCSA-N 452.382 2.317 30 10 JEEE COC[C@@H](ONC(=O)OC(C)(C)C)C(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)cs1 2256615586 VIHNSIXXCKMCIW-OAHLLOKOSA-N 456.370 2.135 30 10 JEEE CC(C)(C)OC(=O)N1CCC(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)=C(F)C1 2256624890 YUOIAKXHKFZERO-UHFFFAOYSA-N 454.333 2.062 30 10 JEEE CC(C)(C)OC(=O)N[C@@](C)(CC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)C1CC1 2256626265 HWSWMXJOBVUTKE-FQEVSTJZSA-N 452.386 2.281 30 10 JEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1CC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2256639782 PQVRSZFKLCHPNO-STQMWFEESA-N 452.386 2.091 30 10 JEEE Cc1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H](O)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2267145616 FVCZNFNLWPUBBH-HNNXBMFYSA-N 466.409 2.410 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@](O)(CCNC(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)C1 2267192913 XUZHSWDXERURRR-JOCHJYFZSA-N 450.341 2.071 30 10 JEEE C[C@H]1CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)CC[C@@H]1NC(=O)C(F)(F)F 2267366668 JDYRGIPIOOATSP-AAEUAGOBSA-N 482.355 2.125 30 10 JEEE C=C(CS(=O)(=O)N[C@@H]1[C@H](NC(=O)OC(C)(C)C)[C@@H]2CCCO[C@H]21)B1OC(C)(C)C(C)(C)O1 2267463913 DLDIPEXFTZDVMS-YLFCFFPRSA-N 472.413 2.164 30 10 JEEE CC1(C)OB(c2sccc2CS(=O)(=O)N2CC[C@@](C)(NC(=O)C(F)(F)F)C2)OC1(C)C 2267471284 RLAGNGBQQPGVNH-QGZVFWFLSA-N 482.355 2.020 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H](CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1)C(F)(F)F 2267512949 ROQJTENZSWGMPS-LLVKDONJSA-N 462.278 2.142 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCC1CN(C(=O)OC(C)(C)C)C1 2267705676 KFHLVYVCHWZEKG-UHFFFAOYSA-N 466.409 2.439 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCCN(CC(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C1 2268650930 MDTGEBKXZYPDGI-CQSZACIVSA-N 466.413 2.370 30 10 JEEE CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)NCc1sccc1B1OC(C)(C)C(C)(C)O1 2268651621 PYFBJWJPSMHDHS-MRXNPFEDSA-N 465.425 2.215 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1[C@@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)[C@@H]2CCC[C@H]21 2268715846 LKZVWQNMTJGPSK-YIYPIFLZSA-N 464.397 2.137 30 10 JEEE C=C(CS(=O)(=O)N=c1nc(C2CN(C(=O)OC(C)(C)C)C2)[nH]s1)B1OC(C)(C)C(C)(C)O1 2278939428 ZBFUOMVIKSEOCX-UHFFFAOYSA-N 486.425 2.224 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@@H](COc3cccc(B4OC(C)(C)C(C)(C)O4)n3)O[C@H]2C1 2281458413 PMISZVWRDRUWSX-ULQDDVLXSA-N 462.352 2.163 30 10 JEEE Cn1nc(C(=O)N2CC3(CCCN(C(=O)OC(C)(C)C)C3)C2)cc1B1OC(C)(C)C(C)(C)O1 2282052497 NXMFDRBILYLNCQ-UHFFFAOYSA-N 460.384 2.192 30 10 JEEE Cn1ncc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)OC(C)(C)C)C3)c1B1OC(C)(C)C(C)(C)O1 2282557498 WDRSMGUKEBQHLK-MUJYYYPQSA-N 460.384 2.380 30 10 JEEE Cc1ccnc(C(=O)NC[C@H]2CCCN(C(=O)C(F)(F)F)C2)c1B1OC(C)(C)C(C)(C)O1 2282571716 DZSLSWYMZKDPRP-CQSZACIVSA-N 455.286 2.220 30 10 JEEE CC1(C)OB(c2n[nH]cc2C(=O)N2Cc3ccc(NC(=O)C(F)(F)F)cc3C2)OC1(C)C 2282579886 LIFMLAJZXRKNFB-UHFFFAOYSA-N 450.226 2.366 30 10 JEEE CC1(C)OB(c2cc(C(=O)N[C@H]3[C@@H]4CN(Cc5ccccc5)C[C@@H]43)c(O)cc2O)OC1(C)C 2282986263 OHDSELFIWWVNOT-OEWRPIJISA-N 450.344 2.257 30 10 JEEE CC(C)(C)OC(=O)N[C@]1(C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C[C@H](O)C1(C)C 2284050977 HEDHEELQBXKAPN-WNSKOXEYSA-N 461.368 2.374 30 10 JEEE CC(C)(C)OC(=O)NC[C@H](Oc1ncc(B2OC(C)(C)C(C)(C)O2)cc1C(F)(F)F)C(N)=O 2288749758 ZTAQRDDWOYPQAT-ZDUSSCGKSA-N 475.273 2.157 30 10 JEEE COCCN1C(=O)C(=O)C(=C(O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@@H]1c1ccccc1F 2297745731 AJGCVZKNRYCLQD-IBGZPJMESA-N 462.499 2.144 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CC(=O)N(Oc2ncc(Cl)cc2B2OC(C)(C)C(C)(C)O2)C1 2317252233 UKRIMGXEVWKHMP-ZDUSSCGKSA-N 453.732 2.454 30 10 JEEE CCOc1ccc(C=Nn2c(CNC(C)=O)nnc2SCC(=O)NCc2ccco2)cc1 2330749912 GFNJRKLVBFBJDO-UHFFFAOYSA-N 456.528 2.197 30 10 JEEE CO[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2337396167 JWIXVPQFZYPLHE-CABCVRRESA-N 467.397 2.197 30 10 JEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C(=O)N2CC[C@H](B3OC(C)(C)C(C)(C)O3)C2)[C@H]1OC 2342482699 OFXBQGCVQIXXTK-YVSFHVDLSA-N 454.373 2.330 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C 2362480176 FZGDOZFYEYOHPP-INIZCTEOSA-N 462.400 2.405 30 10 JEEE CCn1ncc(I)c1N=c1ccc(B2OC(C)(C)C(C)(C)O2)c(OC)[nH]1 2381956324 GUHRFQAMKUFMDE-UHFFFAOYSA-N 470.120 2.376 30 10 JEEE COc1ccc(-c2nnc3ccc(OCCNC(=O)COc4ccc(C#N)cc4)nn23)cc1OC 13706998 XZNBTOULFFXYKS-UHFFFAOYSA-N 474.477 2.254 30 10 JEEE CCc1nnc(NC(=O)CSc2nnc(N/N=C/c3c(O)ccc4ccccc34)n2N)s1 20916196 PDTISMJUZYILTB-ZVBGSRNCSA-N 469.556 2.441 30 10 JEEE COc1cc(/C=N/Nc2nc(SCC(=O)NCc3ccc(OC)c(OC)c3)n[nH]2)ccc1O 58994970 HBIJLVYTEYKVSE-FOKLQQMPSA-N 472.527 2.391 30 10 JEEE N#Cc1cccnc1N1CCN(C(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)CC1 105287340 QSBCIGJRNPHICW-UHFFFAOYSA-N 453.568 2.480 30 10 JEEE C#CCOc1ccc(C(=O)N[C@@H]2CN(C(=O)Nc3ccccc3C(=O)OC)CCC[C@@H]2O)cc1 215027989 IDEXECZKYHHZTN-YADHBBJMSA-N 465.506 2.272 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)N3CCCN(Cc4ccc(OC)cc4)CC3)cc2C1=O 853261631 PMSITHXECJZKDW-UHFFFAOYSA-N 491.544 2.369 30 10 JEEE CC(=O)Nc1cccc(NC(=O)CCSc2nnc(NN=Cc3cccc(O)c3)n2N)c1 1083906250 QOXAJGRSBANUAD-UHFFFAOYSA-N 454.516 2.223 30 10 JEEE CCOc1cc(C=NNc2nnc(SCC(=O)NCc3ccc(F)cc3)n2N)ccc1O 1084310520 UMHUVHAZDZEZGE-UHFFFAOYSA-N 459.507 2.090 30 10 JEEE C[C@H](Sc1ncccc1C(=O)N1CCN(c2cnccc2C#N)CC1)C(=O)N1CCCC1 1160051073 IBDSBFLXWJJKBL-KRWDZBQOSA-N 450.568 2.414 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@H]1CCS(=O)(=O)C1 1286289944 NGLLIYUNGOHEAM-DLBZAZTESA-N 468.583 2.129 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)NCCc1ccccc1 1286295774 LDJNBYYLQQMEPD-TZIWHRDSSA-N 496.612 2.403 30 10 JEEE C#CCCCn1c(N2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1286359892 MKFBNDDPMDYBPU-BKMJKUGQSA-N 486.661 2.255 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@@H]1CCN(CCC)C1)[C@@H]1CCS(=O)(=O)C1 1286390711 FERHAKOYHDROEK-WOJBJXKFSA-N 461.657 2.289 30 10 JEEE C#CCN(c1nnc([C@@H]2COc3ccccc3O2)n1C[C@](C)(O)[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1286392660 JDOKITPUCBNBRK-WOPVWSFHSA-N 488.610 2.214 30 10 JEEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CCN(C(=O)OC(C)(C)C)C1CC1 1286407218 FXZMMROYBBZJKP-UHFFFAOYSA-N 466.542 2.478 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1286462691 RPRIMIWBZLLRKF-SFHVURJKSA-N 455.563 2.468 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC)n2Cc2ccc(C)cc2O[C@@H]2CCOC2)CC1 1286491237 JPQBQDJRDJYACR-OAQYLSRUSA-N 451.571 2.331 30 10 JEEE C=C(Br)Cn1c(COc2ccccc2F)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1286547173 JLUCGOZOWZQBJW-OAHLLOKOSA-N 493.337 2.378 30 10 JEEE C=C(C)Cn1c([C@H](C)OCCOC)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1286585777 PQXRGVWYEIDTNW-ACRUOGEOSA-N 462.639 2.205 30 10 JEEE C=CCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1286668066 WDQWMZQYWQQTSX-UHFFFAOYSA-N 470.622 2.399 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(OC(F)(F)F)cc1 1286726659 HHACOBWBFVNDCF-KRWDZBQOSA-N 489.520 2.375 30 10 JEEE C=CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCN(S(C)(=O)=O)C1)C1CC1 1286733688 IDCCWJVUIYCWFH-CYBMUJFWSA-N 469.409 2.472 30 10 JEEE C#CCN(CC(=O)N1CCNC(=O)[C@@H]1c1ccc(OC(F)(F)F)cc1)C(=O)OC(C)(C)C 1296363015 QJTMNZSHEZXDCJ-KRWDZBQOSA-N 455.433 2.455 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3noc4c3COCC4)n2CCCCOC)c1 1300333120 WJCIXCMCYSAJHC-UHFFFAOYSA-N 464.526 2.489 30 10 JEEE C#CCCCCn1c(N2CCN(c3nccnc3C#N)C[C@H]2C)nnc1[C@]1(OC(C)C)CCOC1 1300377200 SAKBZUXGXLYMPZ-NLFFAJNJSA-N 478.601 2.499 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@H]1CN(Cc2ccccc2)CCO1)[C@@H]1CCS(=O)(=O)C1 1300496657 SYPSDZFDTRUGLS-DHIUTWEWSA-N 499.681 2.394 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1300504921 WAMUXJYEDXXASI-IPMKNSEASA-N 495.646 2.259 30 10 JEEE C=C(Br)Cn1c(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)nnc1[C@@]1(OCC)CCOC1 1300861230 CPXIMMBCVRXDIQ-JKIFEVAISA-N 465.414 2.097 30 10 JEEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](C(=O)N(C)c2ccccc2)C1 1301251673 GMWOTDWJQKBQKA-AZUAARDMSA-N 452.559 2.311 30 10 JEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2ccc(F)cc2)C1 1301258026 JLQOQPXZVDBMLH-QUCCMNQESA-N 464.563 2.490 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCNC(=O)c2ccc(C)cc2)C1 1301536437 WINIIVAOSCXJDL-FQEVSTJZSA-N 475.553 2.445 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(CC)CC1CCC1 1301586417 SOMCTQXJNPFZCD-UHFFFAOYSA-N 470.599 2.419 30 10 JEEE CCC[C@@H](C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cnn(C)c2)CC1 1306546999 FMOQANWRCZOADB-LJQANCHMSA-N 475.601 2.429 30 10 JEEE N#CCc1ccc(S(=O)(=O)NCC2(N3CCN(c4ccccc4)CC3)CCOCC2)cc1 1309498290 BBBHPZDKNRIREG-UHFFFAOYSA-N 454.596 2.402 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCN(C)CC(F)(F)F 1358968154 AFNNIKAAZDAALV-UHFFFAOYSA-N 466.895 2.428 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCSC 1359016496 DMDPRFKWVNNASE-LJQANCHMSA-N 481.619 2.143 30 10 JEEE C=C(Cl)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1359141424 GUOYLWQVSLWZHP-KRWDZBQOSA-N 483.964 2.432 30 10 JEEE C=CCN(C)c1nnc(-c2cc(F)ccc2Br)n1CCC[C@@H]1NC(=O)NC1=O 1359233537 JDMLSJLWHPGHSP-AWEZNQCLSA-N 451.300 2.457 30 10 JEEE C=CCn1c(C(=O)NC(CC)CC)nnc1N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 1359283156 WQWYGKDHVTUSET-OAQYLSRUSA-N 465.602 2.310 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCCO3)n2CCc2ccc(S(N)(=O)=O)cc2)C1 1359319658 COKLBCXOVOFNHI-QUCCMNQESA-N 461.588 2.191 30 10 JEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC1[C@@H](C)CN(Cc2ccccc2)C[C@@H]1C 1445511928 FYSBCTQIJCWALI-FHWLQOOXSA-N 454.596 2.498 30 10 JEEE CCOC(=O)Nc1ccc(NC(=O)N(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)cc1C#N 1465970226 HXIGZQKYIBFUDF-DLBZAZTESA-N 450.517 2.327 30 10 JEEE C=C[C@@H]1OCC[C@H]1NC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N1CCOCC1 1475918033 UAOATYMLMOLERQ-XLIONFOSSA-N 452.577 2.019 30 10 JEEE CN(C)C(=O)Nc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(CC#N)CC2)cc1 1503377882 IAVXHXWANLTBBD-IBGZPJMESA-N 485.614 2.452 30 10 JEEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1507589319 VUZKSNGQZFGKLG-HXOBKFHXSA-N 474.562 2.031 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1CCN(C)C1CCCC1)[C@@H]1CCS(=O)(=O)C1 1507634286 JHVOFCWNUJPWHI-JOCHJYFZSA-N 485.654 2.379 30 10 JEEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1C[C@@H](C)SC)[C@H]1CCS(=O)(=O)C1 1507638478 FTBKCZFWMQDAJT-SJORKVTESA-N 464.613 2.244 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(F)ccc2Br)n1CCNS(=O)(=O)CC 1507662672 UWNSWYWENOHCIS-UHFFFAOYSA-N 482.379 2.249 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2ccccc2OC(F)F)CC1 1507737524 AVNCCAABEYFCHJ-SFHVURJKSA-N 486.523 2.039 30 10 JEEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1507774448 FSOPCHVGPAIOJJ-ZDUSSCGKSA-N 465.318 2.496 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2cccc(OC)c2)CC1 1507884817 MSGFMJUDWGBNKQ-FQEVSTJZSA-N 461.588 2.019 30 10 JEEE C=CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@H](S(C)(=O)=O)C1 1508157024 AZPZRKMGKZUGDD-INIZCTEOSA-N 450.586 2.259 30 10 JEEE CC[C@H](C)[C@H](Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCO[C@H](C#N)C1)OC 1512752207 FTLNPYPTIUFVEJ-QKLQHJQFSA-N 465.558 2.465 30 10 JEEE CCCNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](C(=O)OC)C1 1515077152 AHLGNIBEEGKWNM-SFHVURJKSA-N 454.531 2.034 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCn1cc(Cl)cn1)[C@@H]1CCS(=O)(=O)C1 1539204715 CIGHHIGCRPFOJX-GOSISDBHSA-N 474.974 2.131 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)NC(CC)CC)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1539291154 MRQSQEIJMXTDCX-HXUWFJFHSA-N 477.613 2.328 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1coc(-c2ccc(C)cc2)n1 1539295531 CCJCNAPLCCUJCE-SFHVURJKSA-N 466.567 2.363 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1OCCC1(C)C 1539304636 DGTRPSHXJMMHNA-NRFANRHFSA-N 469.611 2.473 30 10 JEEE C#CCN(CC#CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCNC(=O)C1CC1 1539323318 FDZVIBWJTIYCOI-UHFFFAOYSA-N 468.602 2.382 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(OC)cc3)n2Cc2nccn2C(F)F)CC1 1539488977 PILUSMVZXNRZEP-UHFFFAOYSA-N 499.522 2.471 30 10 JEEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1Cc2ccccc2[C@@H]1C 1539518450 ZVUNPHTYPIKSQP-LPHOPBHVSA-N 461.613 2.059 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H](C)N1CCOCC1 1539540809 VEJIGHPSUNTKSX-FDDCHVKYSA-N 457.600 2.061 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2cc(OC)c(C)cc2C1 1539705172 QRGMDRDBNZFPEX-FQEVSTJZSA-N 461.588 2.067 30 10 JEEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1539963360 SATHJPAGQUNMTL-ACRUOGEOSA-N 471.650 2.212 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC2(CC1)CNC(=O)C2)C(C)C 1540152142 QCELIINFYCFYRT-WOJBJXKFSA-N 469.634 2.034 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCCO1 1540180399 MZHAUGDAOLGBKF-FGZHOGPDSA-N 489.642 2.415 30 10 JEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cc(Br)cs1 1540858175 KQCGSNONXVVOIU-CQSZACIVSA-N 476.422 2.257 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC(NC(=O)C(C)C)CC1 1540864154 QYCBNGHDLZBUKW-UHFFFAOYSA-N 476.585 2.378 30 10 JEEE C=CCOc1ccc(Cn2c(COCC)nnc2N2CCC([C@]3(C)NC(=O)NC3=O)CC2)cc1 1540878735 GTIJPHKNSJRDLY-DEOSSOPVSA-N 468.558 2.242 30 10 JEEE CCC1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@](C)(C#N)C2)CCC1 1546143979 AEUPVUIVPGMJCU-FXAWDEMLSA-N 450.609 2.321 30 10 JEEE N#Cc1ccc(N2C[C@@H](C(N)=O)[C@H](C3CCN(C(=O)c4ccncn4)CC3)C2)cc1C(F)(F)F 1548397090 OIMWISDKLUDOKZ-ZWKOTPCHSA-N 472.471 2.457 30 10 JEEE COC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)CN2CCOCC2)CC1 1554527265 FSOYYPNCTMKMJR-SFHVURJKSA-N 452.559 2.174 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@](C(=O)OCC)(C2CC2)C(F)(F)F)ccc1F 1586255798 IDZORRQELGIWRR-QGZVFWFLSA-N 452.426 2.294 30 10 JEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCCCN1C1CC1 1587931698 ALQPPVLYTGRJIE-FQEVSTJZSA-N 456.616 2.282 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@@](C)(O)C(C)C)[C@H]1CCS(=O)(=O)C1 1588035771 XRQGIGNJESMEEP-HNAYVOBHSA-N 484.420 2.069 30 10 JEEE C#CCN(c1nnc(-c2ccccc2F)n1Cc1c(C)nn(C)c1C)[C@H]1CCS(=O)(=O)C1 1588046200 ZOJOXUFWHHDHFT-KRWDZBQOSA-N 456.547 2.110 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@H]1CCCN1c1cnn(C)c1 1588114024 YZFWLPAQJVERRB-LJQANCHMSA-N 459.554 2.438 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(OCC)cc3)n2CC2(S(C)(=O)=O)CC2)CC1 1588742780 UXHZJTHJZPGQSG-LJQANCHMSA-N 487.626 2.149 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C)c2nc(C)cs2)CC1 1588884828 OACONTGNCMZOQR-MRXNPFEDSA-N 492.609 2.460 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2csc(C)c2)CC1 1588885249 TXOXUWMNUUBFNX-UHFFFAOYSA-N 463.567 2.309 30 10 JEEE C#CCSCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1589116913 PEOAGACTURAPRY-IBGZPJMESA-N 477.656 2.310 30 10 JEEE C=C(Cl)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C[C@H](O)COc2ccccc2)CC1 1593907801 AYZPVBUQDGZILQ-NRFANRHFSA-N 486.020 2.454 30 10 JEEE C=C(Cl)Cn1c(N2CCN([C@@H](C)C(=O)N3CCCC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1593933044 USXARPFANYGIJY-CVDCTZTESA-N 481.041 2.204 30 10 JEEE C=CC[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NS(C)(=O)=O)CC1)c1ccccc1 1594544863 NOBGJLAEYQXTJV-QUCCMNQESA-N 472.615 2.107 30 10 JEEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1594681189 ZAXOCMACKKDADK-QGZVFWFLSA-N 452.625 2.083 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O)C(C)C 1595170890 MBPKZBQEGCAPOH-LEWJYISDSA-N 499.660 2.391 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@H]1c1nncn1C 1595475697 DTKGXUMCTVCYGO-RDJZCZTQSA-N 454.510 2.329 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 1595784105 CNKWRNDUDMEOHN-SFHVURJKSA-N 474.631 2.349 30 10 JEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N(C)Cc1nc2ccccc2s1 1595821618 BZMAOJDTBSMKNE-UHFFFAOYSA-N 474.612 2.247 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@H](C)N(C)C1CC1 1608562250 AWWYSJXPLBPURM-SFHVURJKSA-N 450.591 2.097 30 10 JEEE CC[C@@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](C#N)C1)NC(=O)OC(C)(C)C 1613654394 HUBZFLDFMKKBAF-ROUUACIJSA-N 458.567 2.172 30 10 JEEE CN(C)C(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(Cc2cscn2)CC1 1617581190 AFFRAUSKGXQDRY-UHFFFAOYSA-N 464.599 2.464 30 10 JEEE CNC(=O)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1618786969 FNVXOHXGZLPJBY-UHFFFAOYSA-N 482.495 2.276 30 10 JEEE CNS(=O)(=O)CCn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CC[C@@](F)(C#N)C1 1618841149 AHQPLIWYYPDSDI-OAQYLSRUSA-N 464.567 2.361 30 10 JEEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(OCCN3CCNC3=O)cc2C)cc1 1625909157 IIQDBZQQJRLVQK-UHFFFAOYSA-N 458.540 2.116 30 10 JEEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)CC1 1632960720 MOFVBEFNANSJTF-UHFFFAOYSA-N 458.927 2.229 30 10 JEEE C=CCNS(=O)(=O)c1cccc(C(=O)NC2CCN(C(=O)c3cc(Cl)c[nH]3)CC2)c1 1636133271 YYUUUNXEXQTTEB-UHFFFAOYSA-N 450.948 2.167 30 10 JEEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C(=O)OCC)c2ccc(OC)c(F)c2)cc1 1638862808 FHPIXDYUDXRWBP-LJQANCHMSA-N 450.488 2.333 30 10 JEEE COC(=O)[C@H](c1cccc(Br)c1)N(C)CCS(=O)(=O)c1ccc(C#N)cn1 1652927541 DYYZIEYZTNIWEE-KRWDZBQOSA-N 452.330 2.336 30 10 JEEE Cc1cc(C)cc(N(CCC#N)C(=O)Cn2c(Br)nc3c2c(O)nc(=O)n3C)c1 1653023886 AFDYKKXBLQEQCW-UHFFFAOYSA-N 459.304 2.162 30 10 JEEE Cn1ccnc1[C@](O)(CCNS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1)C(F)(F)F 1660430056 HESHADWKILPBNR-CQSZACIVSA-N 456.368 2.429 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1(NC(=O)OC(C)(C)C)COC1 1689841286 CSGLOEAMKQLHEP-MRXNPFEDSA-N 469.542 2.468 30 10 JEEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1689926017 FXDHPRBGYCGQDN-QGZVFWFLSA-N 468.583 2.009 30 10 JEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(F)(F)C1(OC)CCOCC1 1689949242 WFLBNHCDANYVND-UHFFFAOYSA-N 496.584 2.447 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@@H]1CC(F)(F)CO1)[C@@H]1CCS(=O)(=O)C1 1689982339 KWHIIYCSRKGSDP-AEFFLSMTSA-N 466.510 2.005 30 10 JEEE C#CCN(c1nnc(C)n1Cc1ccc(OC)c(Br)c1)[C@@H]1CCS(=O)(=O)C1 1689982774 UFTKRDQPAFVUIG-OAHLLOKOSA-N 453.362 2.033 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H](c1ccsc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1689986687 VGGICSVSDBRVNV-UYAOXDASSA-N 470.624 2.331 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1cccc(CN(C)CC)c1)[C@H]1CCS(=O)(=O)C1 1689991277 ZCUVNKHNRZKCBD-GOTSBHOMSA-N 485.654 2.299 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCc1ccc(CC)cc1)[C@@H]1CCS(=O)(=O)C1 1689998832 YBCKKFRHWKSMAE-ZRBLBEILSA-N 486.638 2.434 30 10 JEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2csc([C@H](C)OC)n2)CC1 1690132527 SBPFGWBYITVNLQ-SFHVURJKSA-N 454.604 2.107 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2CCO[C@@H]2C(C)C)CC1 1690137828 JTPOOXIECHYTPM-VRUMLPLGSA-N 487.645 2.346 30 10 JEEE C=CCN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCS(=O)(=O)N1CCSCC1 1690518041 ZPGPROBXQBGJFQ-UHFFFAOYSA-N 473.628 2.336 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2c(Cl)cccc2OC)C1 1690686471 OSYYXZCQDASLNX-HUUCEWRRSA-N 469.995 2.380 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1690724979 AAJNKJHRCJMKSW-UHFFFAOYSA-N 455.625 2.382 30 10 JEEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1CCS(=O)(=O)CC1CC1 1691328557 DUMJXDDFNWRPNX-LZJOCLMNSA-N 453.584 2.463 30 10 JEEE CCCNC(=O)CCn1c(-c2ccccc2F)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1695426179 AXDBIDJUFCCUDK-KRWDZBQOSA-N 477.548 2.377 30 10 JEEE CCn1cccc(Cn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N(C)[C@@H](C)CC#N)c1=O 1695790495 GBRRSMNHOGXOQY-KRWDZBQOSA-N 483.598 2.164 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2CC2(S(C)(=O)=O)CCC2)c1 1705506976 NPSXTVHGUXYSJO-UHFFFAOYSA-N 492.605 2.287 30 10 JEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N(C)CCCC)CC1 1705516941 LPCBSAJXYOLGMK-FQEVSTJZSA-N 463.648 2.459 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccc(-c2nc[nH]n2)cc1)[C@H]1CCS(=O)(=O)C1 1705559814 FXNQILSARYCYQI-SFHVURJKSA-N 453.572 2.036 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1CC1(N(C)C)CCC1)[C@H]1CCS(=O)(=O)C1 1705571086 VUXCWGBZYMYISO-NRFANRHFSA-N 455.628 2.288 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2Cc2nccn2C(F)F)CC1 1705632382 OISRWCNWAMRVMI-UHFFFAOYSA-N 488.930 2.257 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H](C(C)C)N2CCOCC2)CC1 1705634320 RGLBIKZERSHUNJ-XMMPIXPASA-N 482.629 2.074 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@](C)(O)C2CCCCC2)CC1 1705642162 IZNCDTTZEJMLHJ-XMMPIXPASA-N 470.643 2.356 30 10 JEEE C=C(Br)Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@H](N2CCCC2=O)C1 1705679077 AXRKIMNNCHEZAC-HNNXBMFYSA-N 453.385 2.306 30 10 JEEE C=C(Br)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1705687552 GBLLJFYBBREPBF-UHFFFAOYSA-N 472.384 2.435 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 1705693443 GQHNYSPTRAVAKP-NZQKXSOJSA-N 498.603 2.428 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCC[C@@H]1NC(=O)NC1=O 1705714305 MDJHGGAELIZXDW-SFHVURJKSA-N 478.557 2.066 30 10 JEEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1705734549 SLNVPCIPRNXKQD-UHFFFAOYSA-N 466.590 2.256 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCCC2(CCOCC2)C1 1705896499 ONGMLOKCOOQORK-UHFFFAOYSA-N 473.599 2.048 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCN(Cc2c(CC)nn(C)c2Cl)CC1 1705897555 OFDPFKBUEUXVCN-MRXNPFEDSA-N 463.030 2.365 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCc2ccc(OCC)cc2C1 1705932584 VZYKZTLDFMIZGV-UHFFFAOYSA-N 456.572 2.241 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CCC(S(C)(=O)=O)CC1 1705932932 ORNLXPPLSPRXNR-UHFFFAOYSA-N 473.020 2.213 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(C=C)CC1 1705934748 WCELTMQKOYYECZ-UHFFFAOYSA-N 468.583 2.195 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC(OC[C@@H]2CCCCO2)CC1 1705936230 MCQYPLIISQUMHZ-CTNGQTDRSA-N 482.647 2.327 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cn2ccc3ccccc32)nnc1N(C)CC(=O)NC(C)(C)C 1705938045 LNAOCJWAQGLJEY-UHFFFAOYSA-N 472.615 2.233 30 10 JEEE CC(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCOC(C)(C)C2)C1 1706034241 BBDKFAYMYCGHBC-OAQYLSRUSA-N 465.602 2.280 30 10 JEEE CN(Cc1cccc(C#N)c1)c1nnc(Cc2cccnc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1711085436 HLDGCIZXCFEUOU-OAQYLSRUSA-N 465.583 2.053 30 10 JEEE COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nc(C(F)(F)F)cs1 1712453968 FCKIDILQDSLBDY-LBPRGKRZSA-N 478.522 2.070 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(NC(=O)c2ccco2)cc1 1722275110 BXXMARVQWGLFTB-JKSUJKDBSA-N 470.555 2.240 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(Cl)c(OC)c(OC)c1 1722297204 YQPNCOHASQFIIL-DZGCQCFKSA-N 452.964 2.357 30 10 JEEE C#CCN(c1nnc(-c2ccccc2)n1Cc1nccc(C(F)F)n1)[C@H]1CCS(=O)(=O)C1 1722361965 LDPGICIRTCPFGT-INIZCTEOSA-N 458.494 2.348 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H](c1ccsc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1722362356 SVRGYADAWVMFHL-IEBWSBKVSA-N 458.613 2.264 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC(C)(C)c1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1722362407 UBQGVNYQNQVVJM-HXUWFJFHSA-N 482.610 2.292 30 10 JEEE C#CCN(c1nnc(CSc2ccc(C)cc2)n1CC[C@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1722371212 UWCXFSATRKCGFH-UXHICEINSA-N 490.651 2.311 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC(C)(C)C)nc1 1722398326 ZUTREZIOTQAMAM-LJQANCHMSA-N 455.584 2.264 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@H]1CCS(=O)(=O)C1 1722423766 OACBKTOCDUQLNR-OAHLLOKOSA-N 497.415 2.237 30 10 JEEE C#CCSCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN2CCOC[C@@H]2C1 1722459586 NPDAHAUBQXMDHX-UXHICEINSA-N 490.674 2.280 30 10 JEEE C=C(Br)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1722479180 CQWFNLBSWFTQDL-HUUCEWRRSA-N 483.344 2.371 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1722537427 OBPXAQTUZDLXNP-RBUKOAKNSA-N 452.563 2.142 30 10 JEEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1722551518 AJPFGCIMZYNFSJ-QRQLOZEOSA-N 497.040 2.496 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c(N2CCN(C(=O)C(=O)NC(C)C)CC2)nnc1C(C)(C)C)C(C)C 1722664847 IKKXMERHTKFCHV-NRFANRHFSA-N 487.693 2.447 30 10 JEEE CC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C(C)C)N2CCOCC2)C1 1722813200 BKLNNJMWNYLCAO-XZOQPEGZSA-N 465.602 2.278 30 10 JEEE CC(C)C(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCc2cnn(C)n2)CC1 1723064931 DPNAOEQAHDLCHG-UHFFFAOYSA-N 461.574 2.319 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CCC2CC(OCC)C2)c1 1740562852 NHMZVSOPCSOMQQ-DQVLVPHSSA-N 464.570 2.491 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1ccc(COC)cc1)[C@@H]1CCS(=O)(=O)C1 1740627667 RTMIIYVNAZPRJI-RTWAWAEBSA-N 458.584 2.341 30 10 JEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1N(C)CCCC1(C)C 1740637020 MWLMXULFSZGYHZ-FQEVSTJZSA-N 467.643 2.431 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCc2ccc(C)cc2)CC1 1740703041 DQABABMQCMXKTI-AREMUKBSSA-N 465.598 2.447 30 10 JEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2c(F)ccc(F)c2C1 1740709257 LGDIRQXPVOXMPW-CYBMUJFWSA-N 455.556 2.096 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)N1CCC[C@H](C)C1 1740773686 AZFZIKYYQSWLIA-UFYCRDLUSA-N 468.668 2.134 30 10 JEEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1740858674 XHTJJAHHKYHARZ-DLBZAZTESA-N 454.641 2.376 30 10 JEEE C=CCn1c(N2CCCN(c3nccc(OCC)n3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1740949269 BWOHODNPNHAXNW-HSZRJFAPSA-N 457.579 2.410 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N(C)CCCC(=O)NC 1740953945 WROCWMDCMVJOAS-UHFFFAOYSA-N 467.343 2.111 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1C[C@H](C)O[C@@H](CC)C1 1740992980 QVVURBZKFUVWRD-HKUYNNGSSA-N 458.588 2.121 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N(C)Cc1nc(O)c2sccc2n1 1740993267 VPBKBNKQBXPBEP-UHFFFAOYSA-N 485.595 2.211 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCn2ccnc2C1 1748651742 PSCVYIYNPOJFJX-QZTJIDSGSA-N 467.599 2.112 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C(C)C)N1CCOCC1 1748670943 FBYUMELNABYBBM-PCCBWWKXSA-N 490.649 2.401 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H](C1CCCCC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1748824078 IICVINSSHBYMJH-QHAWAJNXSA-N 463.648 2.267 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2CCc2noc(CC)n2)CC1 1749015942 TXUNWIVHGBJSSQ-UHFFFAOYSA-N 461.570 2.217 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2Cc2cccn(CC)c2=O)CC1 1749019069 JYVWAVOWOHEFMT-UHFFFAOYSA-N 488.592 2.361 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1CCCN1CCCO[C@H](C)C1 1749051801 NITGQHMOYPAOTP-NTKDMRAZSA-N 451.575 2.418 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1749368116 BGYDMYUXLCSVBS-QYZOEREBSA-N 467.636 2.219 30 10 JEEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1749676705 AEGRIDLGZNONTQ-UHFFFAOYSA-N 456.513 2.208 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(c2ccnc(C)n2)CC1 1749677754 JSVLSEJKXIZZDQ-UHFFFAOYSA-N 476.585 2.201 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC2(N(C)C)CCOCC2)C1 1749717678 OPFIPSQFCQKYCK-SFHVURJKSA-N 474.631 2.162 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1749724363 INRFMCRKSSKXKE-MSOLQXFVSA-N 477.631 2.482 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)c(Br)c2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1749724983 PBYMGVGVAHTHFN-HNNXBMFYSA-N 496.431 2.284 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 1749730951 WWAILAAEOXIXHB-UHFFFAOYSA-N 498.584 2.351 30 10 JEEE CC(=O)N1CCC(Cn2c(CC(C)C)nnc2N2CCN(c3ncccc3C#N)CC2)CC1 1749809328 JMUUAUXRXMRTLB-UHFFFAOYSA-N 450.591 2.328 30 10 JEEE CC(C)C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N(C)C)CC1)N(C)C 1750694076 DGLHVBWQYNWSDE-JOCHJYFZSA-N 466.634 2.003 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CCN2CCC(C)CC2)c1 1760126859 KXCRZMGTZSDTNG-UHFFFAOYSA-N 477.613 2.302 30 10 JEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)Cc1ccc2c(c1)OCO2 1760138459 YVXXXSHAGYEOMF-OAQYLSRUSA-N 489.598 2.170 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1CCN1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 1760181532 WZYSFQPBTMZZIZ-VQTJNVASSA-N 487.601 2.446 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCc1cccc(C)n1)[C@@H]1CCS(=O)(=O)C1 1760182187 BRJIWKFUVJGEFH-JOCHJYFZSA-N 460.563 2.390 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1760196710 LMPGTOFYAFWGQS-QGZVFWFLSA-N 479.528 2.306 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)N2CCCC2)n1CCCN1CCOC1=O 1760239997 DISCCILWLDFIDS-UHFFFAOYSA-N 454.506 2.135 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@]1(N(C)C)CCSC1 1760241383 YFBBSKZAYALREL-XXBNENTESA-N 456.591 2.445 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCCN2CCOC2=O)CC1 1760253072 ARVKZGPHQJFGQH-SFHVURJKSA-N 456.522 2.155 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1760322905 ZAONLJMDYAXCGH-UTBUEMAESA-N 451.637 2.080 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)N1CCc2ccccc21 1760338126 YPDJZLRIIGONQG-SIKLNZKXSA-N 488.658 2.465 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1760411391 KXCWNFXRGGZCMA-NJYVYQBISA-N 485.677 2.458 30 10 JEEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(N2CCOCC2)CCCCC1)C1CC1 1760470449 SLOGAPZFMNZPRB-SFHVURJKSA-N 466.652 2.078 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cnn(C)c2)n1Cc1ccc(C(N)=O)nc1 1760479495 QUENMCZYRDTMKO-UHFFFAOYSA-N 453.510 2.285 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@H]1c1nncn1C 1760523601 CPFYNIYZNPDLAK-QZTJIDSGSA-N 499.620 2.165 30 10 JEEE C=CCOc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@@H](C(=O)OC)C2)cc1 1760529354 DJBJPWDCJXAZOF-MOPGFXCFSA-N 474.583 2.183 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC2CN(C(=O)OC(C)(C)C)C2)C1 1760533589 JBTOBVHGYXMXIN-SFHVURJKSA-N 460.579 2.162 30 10 JEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(Cn2cccn2)CC1 1760566227 OUIMDFYYCZDCKU-GOSISDBHSA-N 450.634 2.213 30 10 JEEE CCN(CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](COC)C1)S(C)(=O)=O 1766866541 GKHWAQZEAYMYMS-LJQANCHMSA-N 460.604 2.351 30 10 JEEE Nc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(S(N)(=O)=O)cc3)[C@@H]2c2ccc(O)cc2)c1 1862555807 IPBCBTSYXLSAMW-OAQYLSRUSA-N 479.514 2.400 30 10 JEEE N#Cc1c(NC(=O)COc2cn(CCO)c(CSc3ncccn3)cc2=O)sc2c1CCC2 1870223858 PCWGPJMJTHUOSJ-UHFFFAOYSA-N 483.575 2.362 30 10 JEEE C=CCn1cc(OCc2ccc(C(=O)OC)o2)c(=O)cc1CNc1ccc(S(N)(=O)=O)cc1 1871001461 OEGQQNBTVSMCHC-UHFFFAOYSA-N 473.507 2.252 30 10 JEEE CCOc1ccc(/C=N/n2c(SCC(N)=O)nnc2[C@H]2CC(=O)N(C(C)(C)C)C2)cc1OC 1874273967 NQBMIUHYSBSKAU-OWLNGIFZSA-N 474.587 2.259 30 10 JEEE CC(=O)NCc1nnc(SCC(=O)Nc2ccccc2F)n1/N=C/c1ccc(O)c([N+](=O)[O-])c1 1874430954 GKFQOVWZSRQHEB-NUGSKGIGSA-N 487.473 2.280 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N[C@H]2COCCN(C(=O)OCc3ccccc3)C2)C1 2247564582 JTCQMWCRTLBZFN-GTUCJRJXSA-N 471.554 2.447 30 10 JEEE Cc1c(C(=O)N[C@H]2C[C@@H](NC(=O)OCc3ccccc3)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2255628564 JLUADAFEQYTRHX-HDICACEKSA-N 468.363 2.215 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CC[C@@](C)(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2256605972 PCRFQYKCTNINSF-FKIZINRSSA-N 452.386 2.281 30 10 JEEE CC(C)(C)OC(=O)N[C@@]1(C(=O)NCc2cc(B3OC(C)(C)C(C)(C)O3)cs2)CCOC1 2256666113 IEVQZTAOIATDMA-NRFANRHFSA-N 452.382 2.347 30 10 JEEE CN(C[C@@H](O)CNC(=O)OC(C)(C)C)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2266980751 AVOLZVDOKLSNPA-HNNXBMFYSA-N 452.332 2.083 30 10 JEEE C[C@H](NC(=O)[C@H]1COCCN1C(=O)OC(C)(C)C)c1nscc1B1OC(C)(C)C(C)(C)O1 2268603436 QQJCANDMKBVFTP-DZGCQCFKSA-N 467.397 2.255 30 10 JEEE CC(C)(C)OC(=O)N1CCC([S@@](C)(=O)=NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CC1 2281929456 YKIRRCBDASQZAX-MGBGTMOVSA-N 482.412 2.346 30 10 JEEE Cc1cnc(C(=O)NCCCOCCNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2281950136 RVJBDJSWSMRHJR-UHFFFAOYSA-N 463.384 2.350 30 10 JEEE CC1(C)OB(c2c[nH]nc2C(=O)Nc2cccc3c2CCN3C(=O)C(F)(F)F)OC1(C)C 2281980100 SALGFECDTRBKFO-UHFFFAOYSA-N 450.226 2.413 30 10 JEEE Cc1nn(C)c(C(=O)N[C@H]2C[C@](F)(CNC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2281986463 QZYDNLYYMXHENY-XLOAEROZSA-N 466.363 2.153 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](CO)[C@H](NC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)CC1 2282014003 NFEXLVBMEKZBNY-GDBMZVCRSA-N 481.424 2.180 30 10 JEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CCNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2282025117 KNUDJRJMSBHOGO-JKSUJKDBSA-N 460.384 2.399 30 10 JEEE CC(C)(C)OC(=O)N1CC2(CC2)C[C@@H]1CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2282026416 YYBNWXPUZPZYPB-MRXNPFEDSA-N 458.368 2.295 30 10 JEEE C[C@H]1CC[C@@H](CNC(=O)C(F)(F)F)N(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2282189145 GGVPETIEJHSRAF-ZFWWWQNUSA-N 455.286 2.300 30 10 JEEE C[C@H]1CCN(S(=O)(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)C[C@H]1NC(=O)C(F)(F)F 2282348912 RAIPIUNXSMFLRS-DZGCQCFKSA-N 476.326 2.063 30 10 JEEE CC1(C)OB(c2cnccc2C(=O)N2C[C@H]3CC[C@H]2[C@H](NC(=O)C(F)(F)F)C3)OC1(C)C 2282521245 XVKQBVGICSILGG-MAZHCROVSA-N 453.270 2.052 30 10 JEEE Cn1cc(C(=O)NC[C@@]2(F)CCCN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2282577012 ZBZAOXDWTZOHMD-QFIPXVFZSA-N 466.363 2.188 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC1(C)C 2282582663 YRXXWBNXWUYWDO-HNNXBMFYSA-N 462.400 2.403 30 10 JEEE Cn1cc(C(=O)NC[C@@H](CNC(=O)OC(C)(C)C)C(F)(F)F)c(B2OC(C)(C)C(C)(C)O2)n1 2282589952 VKZOJHIFRPKELN-LBPRGKRZSA-N 476.305 2.152 30 10 JEEE Cn1nc(C(=O)N[C@@H]2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)cc1B1OC(C)(C)C(C)(C)O1 2282627131 GPMHFCKZZJVSEA-ARFHVFGLSA-N 460.384 2.095 30 10 JEEE CC(C)(C)OC(=O)NCC1(CO)CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)CC1 2282634812 QODBYUSQXSYHQX-UHFFFAOYSA-N 463.384 2.053 30 10 JEEE Cc1cnc(C(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)c(B2OC(C)(C)C(C)(C)O2)c1 2282649149 WYLMMXWONDZAOB-FQEVSTJZSA-N 451.376 2.320 30 10 JEEE C[C@@H]1CCN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C[C@H]1CNC(=O)OC(C)(C)C 2283059503 IOHOZVCGCCLZHP-HZPDHXFCSA-N 460.384 2.399 30 10 JEEE CC1(C)OB(c2ccc(C(=O)N3CC(COCc4ccccc4)(C(=O)O)C3)nc2)OC1(C)C 2284389948 RFGURDICVKURSM-UHFFFAOYSA-N 452.316 2.124 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N1CC[C@@H](C)[C@H](NC(=O)C(F)(F)F)C1 2285205260 QKYCSPXQNUOFAI-IUODEOHRSA-N 455.286 2.218 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N1CCOC[C@@H]1CNC(=O)OC(C)(C)C 2285212126 DIBWEJHFOJMIBU-KRWDZBQOSA-N 461.368 2.055 30 10 JEEE COc1cc(C=Nn2c(SCC(N)=O)nnc2[C@@H]2CC(=O)N(C(C)(C)C)C2)cc(Cl)c1O 2327842452 BHWUIMKFIDEYGY-GFCCVEGCSA-N 480.978 2.220 30 10 JEEE COc1cccc(C=Nn2c(CNC(C)=O)nnc2SCc2nc(O)c3ccccc3n2)c1O 2330778015 INTKUXYMPOXYGA-UHFFFAOYSA-N 479.522 2.452 30 10 JEEE COc1nc(OC[C@H]2CN(C(=O)OC(C)(C)C)CCO2)ccc1B1OC(C)(C)C(C)(C)O1 2339826481 UIGFDIZJCXKRFN-OAHLLOKOSA-N 450.341 2.404 30 10 JEEE Cn1cc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H]3CC[C@H]23)nc1B1OC(C)(C)C(C)(C)O1 2359277977 LRUMVIUDQUUIMT-HLLBOEOZSA-N 460.384 2.237 30 10 JEEE COC[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)N(C(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C1 2362576555 KRTFSXXPNSHFQS-HUUCEWRRSA-N 481.424 2.444 30 10 JEEE N#C[C@H]1C(=O)Nc2nc(NCc3ccc4c(c3)OCCO4)[nH]c(=O)c2[C@@H]1c1cc([N+](=O)[O-])ccc1F 72472540 FAFLTGXUXGUABA-RDTXWAMCSA-N 492.423 2.424 30 10 JEEE CC(C)c1ccccc1/N=C1/SCCCN1C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 96545238 DATGJUPYAWQZCY-DARPEHSRSA-N 454.556 2.210 30 10 JEEE N#Cc1c(NC(=O)C[S@@](=O)CC(=O)Nc2nnc([C@H]3CCCO3)s2)sc2c1CCC2 586298217 JCRMTXYBOIKPLG-FCJAZMSBSA-N 465.582 2.137 30 10 JEEE C#CCNC(=O)[C@H](C)Nc1cc(I)cc(I)c1 690338350 DLOVDCZMYKFWLD-QMMMGPOBSA-N 454.049 2.446 30 10 JEEE C#CCN(C(=O)[C@H](C)SCc1nc(O)c2c(C)c(C)sc2n1)[C@H]1CCS(=O)(=O)C1 918755948 IBQPONGQDMYZMQ-KBPBESRZSA-N 453.611 2.284 30 10 JEEE COCc1nc(C(=O)[C@@H](C#N)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)cs1 920838201 CJVIMPZNHCJYHR-MRXNPFEDSA-N 462.553 2.425 30 10 JEEE C=CCc1cc(C(=O)N2CCN(c3cc(N4CCOCC4)ncn3)CC2)cc(OC)c1OC 1126396091 AEFKHXDHJKNKAP-UHFFFAOYSA-N 453.543 2.021 30 10 JEEE C=CCn1c(SCC(=O)N[C@@H]2CCN(S(C)(=O)=O)C2)nnc1-c1ccc(Cl)cc1 1130448082 IPRDFRKTFWVJAO-OAHLLOKOSA-N 455.993 2.027 30 10 JEEE C=CCN1CC[C@H](N(C)C(=O)Nc2ccc(OCC)c(S(=O)(=O)N3CCCC3)c2)C1=O 1214340439 YLNPWMFOSCTLOT-KRWDZBQOSA-N 450.561 2.120 30 10 JEEE C#CCNC(=O)C1CCN(C(=O)N[C@@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)CC1 1229158173 NQRGMCSHFJFHMB-QFIPXVFZSA-N 453.564 2.351 30 10 JEEE C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)NC2CCN(c3ccccc3C#N)CC2)CC1 1234036011 HDYADWCZYPBSIF-FQEVSTJZSA-N 452.603 2.255 30 10 JEEE C#CCN1CCC[C@@H](NC(=O)N2CC[C@@H](c3cccc(F)c3)[C@@H](NC(=O)C(F)(F)F)C2)C1 1248682574 YSPDXSABYKFVCA-QYZOEREBSA-N 454.468 2.469 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CCN1CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1286392725 BWEPBPCVBRNAKI-UNMCSNQZSA-N 496.637 2.087 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(Br)s2)n1CCS(=O)(=O)CC=C 1286405129 ACVGVWASVGKVBT-UHFFFAOYSA-N 453.387 2.443 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(COc3ccccc3)o2)n1CC(=O)N1CCOCC1 1286422615 CAYQXUYGZDBEAG-UHFFFAOYSA-N 473.533 2.439 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCSCC#C)CC1 1286486250 KAMSIIKNRIZPJO-UHFFFAOYSA-N 478.622 2.479 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2C[C@H](C)SC)CC1 1286490513 MSWIVPNRAWPPJS-HNNXBMFYSA-N 465.583 2.311 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H]1CCN(Cc2ccccc2)C1 1286509725 XFARJPQODWQXRU-RTWAWAEBSA-N 473.668 2.257 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC(S(C)(=O)=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1286561346 CISAWODCHSJYKR-QMHWCDLVSA-N 482.647 2.313 30 10 JEEE C=C(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1286593058 HPLQMWKIIDAQMK-UHFFFAOYSA-N 488.662 2.279 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(Cl)cc2)CC1 1286645998 KOXPITLAURCALW-GOSISDBHSA-N 451.980 2.469 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(C)cc2OC)CC1 1286647120 ZVOKLCNGXFANNF-FQEVSTJZSA-N 461.588 2.133 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)C1CCC(NC(C)=O)CC1 1286779714 MGKWXFBXDVSUND-UHFFFAOYSA-N 478.395 2.221 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H]3CCCOC3)nnc2N2CC[C@H](S(=O)(=O)NCC)C2)cc1 1286797558 XENVXLHRWHKQGW-CTNGQTDRSA-N 475.615 2.303 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1286823361 MLAOXBZPLRYGHZ-UHFFFAOYSA-N 494.577 2.301 30 10 JEEE C=CCS(=O)(=O)CCn1c(N(C)[C@H]2CCCc3c2cnn3C)nnc1[C@]1(OC(C)C)CCOC1 1286823737 QCUDJQWDRRWNAH-CVDCTZTESA-N 492.646 2.167 30 10 JEEE CC(=O)N1CCC[C@@H](Cn2c(C3CCN(c4ncccn4)CC3)nnc2N(C)[C@@H](C)CC#N)C1 1286859638 HUZNCZFRPLUSTN-AZUAARDMSA-N 465.606 2.449 30 10 JEEE Cc1ccc(OCc2nnc(N3CCC(C#N)CC3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)cc1C 1289796419 AFOLGLZUEPBDQD-HXUWFJFHSA-N 472.615 2.495 30 10 JEEE CO[C@]1(C)CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC(F)(F)F)C1 1299770652 CFZMHFJGPAPKDS-HXUWFJFHSA-N 466.464 2.413 30 10 JEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCOC1CCOCC1 1300535141 HXLUHHLCQDHJMN-UHFFFAOYSA-N 463.586 2.111 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CCCN1CCCO 1300558755 BEFYHSOQMLFEJZ-IBGZPJMESA-N 473.419 2.356 30 10 JEEE C=C(Br)Cn1c(N2CC[C@@H](OCCOC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1300861476 JAGGHLUXIFEZRD-VQIMIIECSA-N 459.385 2.469 30 10 JEEE C=C(C)Cn1c(N2CCN(CC(=O)NCc3ccccc3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1300970620 YJDOZIYUVWNXFF-AREMUKBSSA-N 482.629 2.333 30 10 JEEE C=C(C)COCCn1c(N2C[C@@H]3[C@H](C2)[C@H](NC(=O)OC(C)(C)C)CS3(=O)=O)nnc1C(C)(C)C 1301002432 ZMARHUZDMDZQNH-KZNAEPCWSA-N 497.662 2.295 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1301578214 ZQQOJSCXBKKCNO-DOTOQJQBSA-N 450.996 2.267 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC(NC(=O)c2ccc(F)cc2)CC1 1301579531 VATPILOZKGPEHY-UHFFFAOYSA-N 498.584 2.479 30 10 JEEE N#Cc1ccc(OCc2nnc(N3CCC(F)(F)CC3)n2CCNC(=O)c2cc[nH]n2)cc1 1302993569 DVPIGYZQSLIYST-UHFFFAOYSA-N 456.457 2.117 30 10 JEEE C[C@@H]1CCC[C@](Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCNS(C)(=O)=O)(N(C)C)C1 1304983037 IFOBDOBUXZHSET-JPYJTQIMSA-N 473.647 2.313 30 10 JEEE C=CC[C@H](NC(=O)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1)c1ccncc1 1312022037 QXIBAFBVIGPLNJ-INIZCTEOSA-N 458.569 2.420 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1cccnc1-n1cccn1 1358987722 PZYZLKZXHRAPGE-UHFFFAOYSA-N 485.573 2.441 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCSCc2ccccc2F)CC1 1359044728 MZMORAHKQINOTL-FQEVSTJZSA-N 484.601 2.268 30 10 JEEE C=CCCOCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C(C)(C)C)CC1 1359224607 XDWMIHUDFIATOZ-UHFFFAOYSA-N 451.579 2.434 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@@H](N2CCCCC2)C1 1359294393 RYWZCYQKAUTNNV-LJQANCHMSA-N 484.601 2.338 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CC[C@](F)(C#N)C1 1359330927 HEIYJRSVUJOJFO-QHCPKHFHSA-N 499.572 2.108 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(CC)CC1 1359331008 KFRBTKMWRLQXEZ-UHFFFAOYSA-N 470.599 2.419 30 10 JEEE CCOCc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CCN1CCSCC1 1503103412 DZAFFIJLCHNUOP-UHFFFAOYSA-N 459.595 2.201 30 10 JEEE COc1cc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@@](C)(C#N)C2)ccc1C 1504093333 GBMXVRZOWUNUGB-OFNKIYASSA-N 488.614 2.106 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1ccc(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1507632329 ZDMUWLLGASWCOR-LJQANCHMSA-N 481.578 2.341 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@H](C)CN1CCOCC1 1507686405 BKXSWNLSOHIYCV-HXUWFJFHSA-N 477.613 2.493 30 10 JEEE C#CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1507745091 SYJWRPFYNNANKT-MRXNPFEDSA-N 492.447 2.453 30 10 JEEE C#CCSCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@@H](C)CC(N)=O 1507756196 YMAVNOHXUMKFNC-DLBZAZTESA-N 464.636 2.459 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)C[C@@H](C)C(=O)NC 1507798291 GWSUJMSWRGSKHK-GUXCAODWSA-N 465.558 2.393 30 10 JEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(Cn2cccn2)CC1 1507933788 BIRZEAAAICATJU-FQEVSTJZSA-N 477.635 2.080 30 10 JEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 1507941966 AMQCLCISVZNRSA-HNNXBMFYSA-N 456.613 2.348 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCCN(C(C)=O)CC1 1508072920 HYMIUJAUUQJPTA-SFHVURJKSA-N 470.574 2.178 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N(CC)Cc1nc(O)c2ccccc2n1 1508084947 QYDIIGUBPPTWSQ-UHFFFAOYSA-N 458.526 2.241 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1508094826 QFURMNLDLBUILX-NRFANRHFSA-N 479.368 2.325 30 10 JEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)c1 1528404231 DFDKQOPKPQKXQK-UHFFFAOYSA-N 459.462 2.267 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CC[C@H](N1CCOCC1)C(F)(F)F 1539039198 ZOQFHMXGAIGFTQ-XSLAGTTESA-N 459.513 2.113 30 10 JEEE C#CCN(c1nnc(-c2cn(C)c3ccccc23)n1C[C@@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1539216793 XHQIKWFWDFJLDV-QZTJIDSGSA-N 454.600 2.014 30 10 JEEE C#CCN(c1nnc(COCC)n1C[C@@H](c1ccco1)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1539229999 AYVOFXINZPHIDM-UXHICEINSA-N 475.615 2.262 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(F)ccc2Br)n1CCN/C(O)=C1\N=CC=CC1=O 1539242022 NBMCYNHSKJVQJY-XUTLUUPISA-N 497.328 2.446 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(-c2ccsc2)nc1 1539369465 LKUSFYAWCRTVTI-HXUWFJFHSA-N 486.623 2.242 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccncc2)n1CCC(=O)N1CCOCC1 1539392806 VGNJMBXIPFGHQC-UHFFFAOYSA-N 462.529 2.292 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCN(C)Cc2ccccc2)CC1 1539488900 OXPHYDFHACIAST-UHFFFAOYSA-N 488.640 2.238 30 10 JEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1 1539514674 SYBPYRXCSLDTGR-MRXNPFEDSA-N 462.620 2.479 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCN1CCOC1=O 1539666190 PWWWIZIHKWCLHO-UHFFFAOYSA-N 461.592 2.483 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCN(c2ccccc2OC)CC1 1540903748 GOSLYVQADFCIPN-UHFFFAOYSA-N 482.610 2.200 30 10 JEEE CC(C)NC(=O)c1nnc(N(C)C[C@@H](C)C#N)n1C[C@H](C)N1CCN(c2ccccc2)CC1 1541103723 FRSNUDULOYOYMJ-PMACEKPBSA-N 452.607 2.223 30 10 JEEE Cc1nc(C[C@@H]2CCCN(c3nnc(-c4cccc(C#N)c4)n3CCS(C)(=O)=O)C2)no1 1542932783 APJQYMHCXIACIO-KRWDZBQOSA-N 455.544 2.012 30 10 JEEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1548314346 CCDBAUWQFSDRCS-BBRMVZONSA-N 457.478 2.407 30 10 JEEE N#Cc1ccc(N2CCC[C@@H](NC(=O)N3CCN(Cc4nccn4C(F)F)CC3)C2=O)cc1 1564546901 BTDUYGVCMSUQGU-GOSISDBHSA-N 457.485 2.173 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCn1cc([C@H]2CCOC2)cn1 1587579597 IILZBQNCCBEZAP-QUCCMNQESA-N 497.625 2.054 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CCN(C)CC(F)(F)F)c1 1587690031 XHIQGAJSLKKFGI-UHFFFAOYSA-N 474.491 2.229 30 10 JEEE C#CCN(C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1587932250 NGKLUUHQMOFPQA-OALUTQOASA-N 467.549 2.378 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@H]1CCC=CO1)[C@@H]1CCS(=O)(=O)C1 1588040489 NQWLQRMEPMDMBR-IEBWSBKVSA-N 472.567 2.282 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1CCOC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1588045267 INVIPPREOBIGEQ-KRWDZBQOSA-N 460.556 2.116 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1Cc1ccc(C#N)o1)[C@@H]1CCS(=O)(=O)C1 1588045945 ULHDXIHBOAQOCU-MRXNPFEDSA-N 451.508 2.093 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](C)COC)[C@@H]1CCS(=O)(=O)C1 1588073609 AQXAKFDTDKIROP-WJFTUGDTSA-N 452.621 2.106 30 10 JEEE C#CCN(c1nnc(COCC)n1C[C@H](c1cccs1)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1588074083 IKNBSGAMKNAIHI-RBUKOAKNSA-N 477.656 2.340 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1cccnc1N1CCOCC1 1588595647 XGGOTAVEJRHXKU-UHFFFAOYSA-N 477.525 2.219 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@H](C)CN2CCOCC2)CC1 1588768009 ACGRCPPNVFXTIY-IBGZPJMESA-N 487.446 2.431 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCC(=O)N2CCCCC2)CC1 1588791564 ZMWKPHVNFVIEBO-UHFFFAOYSA-N 466.586 2.120 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@@H](C(CC)CC)N2CCOCC2)CC1 1588913205 BYFMUMKFPMUQCN-DEOSSOPVSA-N 495.672 2.386 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3nn(C(C)C)c(=O)c4ccccc34)n2CC=C)CC1 1588923544 CYYSKRQXVHQRQV-UHFFFAOYSA-N 459.554 2.388 30 10 JEEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1589027142 LHIYAHUDHGBQIY-MRXNPFEDSA-N 474.034 2.149 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1595805662 RWSDMIQWSMVSFI-UHFFFAOYSA-N 477.606 2.304 30 10 JEEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)C[C@H]1CCCN1C(=O)OCc1ccccc1 1622324824 BDCVYVUXCQTGTC-LJQANCHMSA-N 450.557 2.394 30 10 JEEE C=CCNS(=O)(=O)c1ccc(C(=O)N(C)[C@H]2CS(=O)(=O)c3ccc(Cl)cc32)cc1 1623653669 HZMAWNRPVVRHBX-KRWDZBQOSA-N 454.957 2.405 30 10 JEEE C[C@H](CC(=O)N[C@H](c1ccc(F)cc1)c1nccn1C)/N=C1/NS(=O)(=O)c2ccccc21 1629177671 FZGSXPMNPLNCIU-JLTOFOAXSA-N 455.515 2.282 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@H](OCC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C1 1629505971 CJENEGPPLXSWDA-IRXDYDNUSA-N 452.552 2.374 30 10 JEEE C=C(C)C[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCCO2)c1)C(=O)OCC 1633297385 PMVILWULBKVPFY-RDJZCZTQSA-N 458.964 2.425 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCCO[C@H]1C1CCN(S(=O)(=O)c2cncc(C#N)c2)CC1 1655557382 DWZXYLXCMQZHBN-OALUTQOASA-N 450.561 2.426 30 10 JEEE C#CCCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1689887382 ZDUMWWNXTQXNOH-UHFFFAOYSA-N 490.612 2.388 30 10 JEEE C#CCN(c1nnc([C@@H](CC)c2ccccc2)n1CC(=O)NCc1ccco1)[C@H]1CCS(=O)(=O)C1 1689980365 QIFCZZNDOVFTAV-UNMCSNQZSA-N 495.605 2.356 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCc1ccc(Br)s1)[C@H]1CCS(=O)(=O)C1 1689990855 SQXLRGCAGGEKGC-CABCVRRESA-N 499.456 2.475 30 10 JEEE C#CCN(c1nnc(COc2ccccc2OCC)n1Cc1nccs1)[C@H]1CCS(=O)(=O)C1 1689996905 QWBBQAGERSCNDB-KRWDZBQOSA-N 487.607 2.387 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1C[C@H](C)N1CCN(c2ccccc2)CC1 1690104254 RCHXBPJSFBWXPW-FCHUYYIVSA-N 452.603 2.079 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H]1NC(=O)CC1(C)C 1690108167 RDVQFQFGRLYCHA-ZWKOTPCHSA-N 474.606 2.351 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2cccc(COC)c2)CC1 1690132098 HKHQCLGRAHDOSX-UHFFFAOYSA-N 464.595 2.220 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(Cl)cc2OC)CC1 1690134694 BSOJNHYGSSVUPD-RXVVDRJESA-N 459.978 2.468 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCCc2nnc(C)s2)CC1 1690146739 VGIBGUPUCCEWBN-SFHVURJKSA-N 457.604 2.278 30 10 JEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(F)cccc1OC(F)F 1690527738 RZTUMDXVJBAAFF-MRXNPFEDSA-N 475.493 2.022 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1690720617 NQXDULVKKOGGSI-GOSISDBHSA-N 473.599 2.146 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1690722613 PKWUFTDAIVVTBZ-FQEVSTJZSA-N 452.540 2.324 30 10 JEEE C=CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](C(=O)NC)C1 1690746792 KACRTRVLSZPGRK-MSOLQXFVSA-N 494.662 2.468 30 10 JEEE CC[C@H](C)NC(=O)CCn1c(CN2CCCC2=O)nnc1N1CCCN(c2ccccc2C#N)CC1 1694222713 DVQYZILXMYXFIJ-FQEVSTJZSA-N 492.628 2.294 30 10 JEEE CC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1)OC 1694372421 BDIDVVQOLDINMP-JOCHJYFZSA-N 465.602 2.376 30 10 JEEE CCCN(CC)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1695314878 IBBIPYNACDBCPZ-QFIPXVFZSA-N 464.618 2.155 30 10 JEEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 1695437674 BMLUWLYLFWRCTA-NRFANRHFSA-N 499.641 2.174 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccc(C)n3)n2C[C@](C)(O)CCOC)c1 1705504910 FVSVRGLNZXDSMY-RUZDIDTESA-N 462.554 2.492 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1CC1(COC)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1705565247 HMBLWHZKIDJTLK-RBUKOAKNSA-N 450.605 2.006 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Cl)n1C[C@]1(O)CCSC1)[C@H]1CCS(=O)(=O)C1 1705565351 UGWVABMZSIKQSB-MGPUTAFESA-N 467.016 2.093 30 10 JEEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@@H]1CCCCC(F)(F)C1)[C@H]1CCS(=O)(=O)C1 1705569075 YWIGMFWTBBGBJJ-MSOLQXFVSA-N 483.585 2.243 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@@H](N2CCCC2=O)C1 1705694762 SZAUWUQEVMJWFV-QFUCXCTJSA-N 458.607 2.379 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1705708401 BVFXGXLDDZXBLE-FJIJXJHWSA-N 480.569 2.051 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1705896632 SNTMVKFWBABMEE-FQEVSTJZSA-N 451.531 2.050 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CCC(C(=O)NC)CC1 1705932847 LPZIJUCBADUZTI-UHFFFAOYSA-N 451.980 2.162 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCC[C@H](n3cc(C)cn3)C2)nnc1[C@]1(OC(C)C)CCOC1 1705939436 XGDQOWIDDOELMO-REWPJTCUSA-N 492.646 2.266 30 10 JEEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](O)(c2ccc(C)cc2)C1 1705940194 YECMZTPUZJRWPL-UTKZUKDTSA-N 465.645 2.214 30 10 JEEE Cc1cccnc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1707685911 HMYXNLQHUFWBEW-KRWDZBQOSA-N 451.556 2.039 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc[nH]2)n1C[C@@H]1C[C@@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1722377938 MBIOWODCIQGAIC-HBFSDRIKSA-N 450.543 2.370 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(CC)cc3)n2Cc2cnn(CCOC)c2)CC1 1722443609 XLZNIEWFJTVGDJ-UHFFFAOYSA-N 475.597 2.365 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@]2(C)CN(C)C2=O)CC1 1722444379 IVRTWEBTEIENST-SSOJOUAXSA-N 482.560 2.001 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2Cc2ccc(C[S@@](C)=O)cc2)CC1 1722446865 AMLRPOQULQULHO-JGCGQSQUSA-N 453.612 2.438 30 10 JEEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1722465083 XRMIOKQFOIRRFC-IRXDYDNUSA-N 489.564 2.263 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1722518190 WSFBGAPPYPNTIQ-CEXWTWQISA-N 453.653 2.470 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](OC)c1ccccc1)C1CC1 1722651662 XVSQSDKSYDQWAH-PMACEKPBSA-N 461.588 2.154 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1722728904 CHPOTYRMROPHOD-OAQYLSRUSA-N 471.627 2.369 30 10 JEEE CC[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(=O)(=O)Cc2ccon2)C1 1727753364 BMCVSQLOACEYNX-INIZCTEOSA-N 455.544 2.161 30 10 JEEE CN(C)C(=O)CCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@@](C)(C#N)C1 1729299776 DOXPQNUYRADONK-QFIPXVFZSA-N 472.619 2.237 30 10 JEEE CN(c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CSCCS1)[C@@H]1CCS(=O)(=O)C1 1729368871 ATGVWUWPQLMRTL-AEFFLSMTSA-N 479.653 2.201 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2Cc2cnccc2OC)c1 1740563797 XUAJTZIERGBNNR-UHFFFAOYSA-N 456.510 2.187 30 10 JEEE C#CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@@](C)(C(=O)NC)C1 1740571405 NPMJHVXNAOEFTC-RUZDIDTESA-N 461.570 2.441 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1Cc1ccc(F)cn1)[C@H]1CCS(=O)(=O)C1 1740619729 RAHTWILSBBXZHA-IBGZPJMESA-N 485.541 2.171 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccnc(N2CCCCC2)c1 1740629149 COPCNOHPXWSUPW-UHFFFAOYSA-N 454.538 2.432 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccccc2F)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1740634917 IBHAMXMPYGWZCR-NQIIRXRSSA-N 455.559 2.361 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(C)C)n1CC1CCN(C(C)=O)CC1 1740676266 XWHRSOBQQCTROA-UHFFFAOYSA-N 454.550 2.454 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)c2cccs2)CC1 1740702021 UPPRYNIVUBVGNT-UHFFFAOYSA-N 487.589 2.274 30 10 JEEE C#CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1740713389 KOVBAJNXBMIYHL-UHFFFAOYSA-N 463.629 2.228 30 10 JEEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)c2c(F)cccc2F)CC1 1740718221 KBOGOAPITBUOQB-MRXNPFEDSA-N 461.538 2.389 30 10 JEEE C=C(Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)N(CC)CC)CC1)c1ccccc1 1740796769 FCCFIANRNDKOSR-UHFFFAOYSA-N 479.629 2.218 30 10 JEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCN(CC)CCC(F)(F)F)CC1 1740818828 WAGQLIVLAWGPHK-HNNXBMFYSA-N 452.547 2.319 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1740953946 WTTVMVWQQLIYOB-UHFFFAOYSA-N 482.585 2.246 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1740955066 LGNKGZXYDBWFPK-GOSISDBHSA-N 498.584 2.464 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C2CC2)C1 1740955780 GGAHQKMGPIFIBM-PKOBYXMFSA-N 467.574 2.382 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(C(=O)NCCCC)CC1 1740956841 RSGXLTYUFFOACW-UHFFFAOYSA-N 459.982 2.428 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1740964419 OUQYZNBWMGPLBU-NRFANRHFSA-N 483.548 2.017 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N(C)[C@H]1CCCc2c1cnn2C 1740992976 QRKIQUIWXZGAPH-IBGZPJMESA-N 455.588 2.112 30 10 JEEE C[C@H]1CN(C(C)(C)Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(CCC#N)CC2CC2)C[C@@H](C)O1 1743196677 BXPWWCKJFPGYBN-WSTZPKSXSA-N 478.663 2.198 30 10 JEEE C#CCN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCCSC)[C@H]1CCS(=O)(=O)C1 1748802751 SDFMDOQXMHZDQQ-SFHVURJKSA-N 496.058 2.241 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(C)c(Br)c2)n1CCNS(C)(=O)=O 1748873441 OTPMTTMVSMOTNQ-UHFFFAOYSA-N 464.389 2.028 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@]1(N2CCOCC2)CCSC1 1748914817 NZRVVTAVFYSCFR-QHCPKHFHSA-N 489.667 2.016 30 10 JEEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCCSC1 1748959759 YGFBIWXVJILFFZ-QGZVFWFLSA-N 462.645 2.467 30 10 JEEE C#CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1749029195 NMICKFHFUXRTNP-KRWDZBQOSA-N 491.639 2.148 30 10 JEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 1749044645 TVDJQBAOLYUMLR-UHFFFAOYSA-N 469.571 2.002 30 10 JEEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCCS(C)(=O)=O 1749195323 LMSVPHFZJUPZIH-INIZCTEOSA-N 457.597 2.034 30 10 JEEE C=C(C)COCCn1c(-c2cccc(Br)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1749214487 YRKKWSGSXSDRDY-UHFFFAOYSA-N 484.420 2.382 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(C(=O)NCC)CC1 1749651973 DMUWXRSAKFTJMZ-MRXNPFEDSA-N 475.981 2.225 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1749676950 IZKHKQGWZFYEOZ-UHFFFAOYSA-N 455.588 2.160 30 10 JEEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC(Oc2ccc(F)cc2F)CC1 1749677949 PZZBALJOWUXWHD-UHFFFAOYSA-N 474.512 2.029 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2C[C@H]2CCOC[C@@H]2OC)c1 1760127901 QCQGLHYZJPDHSL-NRSPTQNISA-N 453.543 2.237 30 10 JEEE C#CCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCO[C@H](CNC(C)=O)C1 1760147683 WUXJATNQGFGUFH-QGZVFWFLSA-N 476.375 2.471 30 10 JEEE C#CCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1760151081 XEHHIIYZOGAOSU-UHFFFAOYSA-N 452.559 2.078 30 10 JEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1760155367 WMPBIHFWNWVZGQ-GOSISDBHSA-N 473.002 2.445 30 10 JEEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1c(C)nn(Cc2ccccc2)c1C 1760174530 GSCCOUGWZRZNCG-FQEVSTJZSA-N 452.584 2.160 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CCNC(=O)c1ccc(C)c(F)c1 1760209094 UZRLCPDGZYJHSH-UHFFFAOYSA-N 473.512 2.266 30 10 JEEE C#CCN(CC#CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@]1(O)CCO[C@@H]1C 1760218845 OJBXVWDNRCGIRE-CLOONOSVSA-N 471.602 2.395 30 10 JEEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2CC2CCN(C(C)=O)CC2)CC1 1760260743 AHEYNUTWJPONKB-UHFFFAOYSA-N 456.541 2.161 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCCN2C[C@@H](C)C[C@@H](C)C2)CC1 1760273230 MDAIBCVZCDUOPA-RZUBCFFCSA-N 456.635 2.463 30 10 JEEE C=C(Br)Cn1c(COc2ccccc2F)nnc1N1CCN(CC(=O)N(C)C)CC1 1760311833 BOSLAAXBXLHSDY-UHFFFAOYSA-N 481.370 2.115 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCO[C@@H]1C(C)C 1760337314 PNLPTZPUZYDTKV-CEXWTWQISA-N 455.625 2.075 30 10 JEEE C=C(C)COCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1760357887 KGSLZIRIOBNCKQ-UHFFFAOYSA-N 489.020 2.288 30 10 JEEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(F)cn2)CC1 1760422085 IEXHNTGEDWZPDT-INIZCTEOSA-N 451.572 2.105 30 10 JEEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCO[C@H](c2noc(C)n2)C1 1760515443 NVTOFYAPMFMZGW-MOPGFXCFSA-N 451.531 2.392 30 10 JEEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCN(CC(=O)Nc2cccc(C)c2C)CC1 1760522759 YKRMJJLGZGMSFF-UHFFFAOYSA-N 467.618 2.156 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](COC)C1 1760550526 AITRILKQUBUEIE-ZDUSSCGKSA-N 458.382 2.109 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3ccccc3n2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1760553110 LMOFTLSSBPTQRP-KRWDZBQOSA-N 468.583 2.151 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N(C)C1CCN(C(=O)c2ccccc2)CC1 1760553451 CSWIDKFVRCXXCT-UHFFFAOYSA-N 457.600 2.497 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCN(Cc2cscn2)CC1 1760555709 LDDAQGABEWZULW-UHFFFAOYSA-N 450.634 2.315 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCCN(Cc2ccc(OC)cc2)C(=O)C1 1772567104 MSNQTYVSPNDQQE-OAQYLSRUSA-N 482.585 2.069 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(C)C(=O)C1 1772659854 GKOODXZGHSXADV-UHFFFAOYSA-N 458.371 2.131 30 10 JEEE C=CCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H]1CC(=O)N(c2cc(Cl)ccc2OC)C1 1861601528 BRTIQFJXTZEJGW-LPHOPBHVSA-N 471.941 2.437 30 10 JEEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1862616937 WHYSXNYNRRVQDN-LAJNKCICSA-N 498.444 2.096 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@H]2c2ccccc2[N+](=O)[O-])cc1F 1862643094 SXKTVXKWJYFJRN-IBGZPJMESA-N 457.414 2.457 30 10 JEEE COc1ccc(CCN2C[C@H](C(=O)Nc3c(C#N)nnn3Cc3cccc(F)c3)CC2=O)cc1OC 1870108861 BEZBQNKJIKBYBK-GOSISDBHSA-N 492.511 2.384 30 10 JEEE C=CCOc1cn(CCN2CCOCC2)c(CN2CCN(c3ccccc3OC)CC2)cc1=O 1870386562 UYZTZJGZNZALOG-UHFFFAOYSA-N 468.598 2.076 30 10 JEEE C#CCOc1cn(CCCCCO)c(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1=O 1870562061 PAKCYKRIGWUWKE-UHFFFAOYSA-N 467.566 2.069 30 10 JEEE CCCCCCCCn1cc(OCC(=O)Nc2nnc(C)s2)c(=O)cc1CN(CCO)CCO 1870569539 IHSOKEBJWMTDFQ-UHFFFAOYSA-N 495.646 2.173 30 10 JEEE C=CCn1cc(OCc2n[nH]c(=N)s2)c(=O)cc1CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1870576311 VQAIDTMLDQRROM-UHFFFAOYSA-N 483.554 2.108 30 10 JEEE CCCCCCCCN=c1nc(N2CCN(CCO)CC2)[nH]c(=Nc2cccc(N(C)C)c2)[nH]1 1871616212 BLFAPPHGNUYCPI-UHFFFAOYSA-N 470.666 2.412 30 10 JEEE C#CCOC1CCN(C(=O)C[C@H]2Cn3c(nc4c(cnn4-c4cccc(C)c4)c3=O)S2)CC1 1891726624 SVISKLADGYLFMC-IBGZPJMESA-N 463.563 2.396 30 10 JEEE Cn1[nH]c(=NC(=O)OC(C)(C)C)cc1C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2185167658 MPHPHKUXBGKZFY-UHFFFAOYSA-N 456.352 2.418 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](O)CN1C(=O)c1ccsc1B1OC(C)(C)C(C)(C)O1 2255640594 LSESVVCTLGSNNA-UONOGXRCSA-N 452.382 2.147 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCOC[C@H]1NC(=O)c1ccsc1B1OC(C)(C)C(C)(C)O1 2255809534 YWRYKRASCNYLIY-HUUCEWRRSA-N 452.382 2.459 30 10 JEEE CN(C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)[C@H]1CC[C@H]1NC(=O)OCc1ccccc1 2256066704 GOXSCKPHLNVYLB-MSOLQXFVSA-N 466.347 2.305 30 10 JEEE CC(C)[C@@H](CNC(=O)OC(C)(C)C)CC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2256614768 PQPUWFPMGVCWMI-CYBMUJFWSA-N 454.402 2.385 30 10 JEEE Cc1sc(CNC(=O)[C@H](CO)NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1C 2256615260 SXIBHHWGPQBQEO-AWEZNQCLSA-N 454.398 2.166 30 10 JEEE CC(C)(C)OC(=O)NC[C@@]1(O)CCCN(c2nccc(B3OC(C)(C)C(C)(C)O3)c2F)C1 2266051430 KKNCOPWQAKSBPX-QFIPXVFZSA-N 451.348 2.376 30 10 JEEE CC(C)C[C@@H](CNC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2267197411 YLHGVAXKSIIXNN-HNNXBMFYSA-N 450.389 2.389 30 10 JEEE CC(C)(C)OC(=O)N[C@@]1(CNS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)CCOC1 2267368851 PAEVVGWIFAGQCU-HXUWFJFHSA-N 488.437 2.009 30 10 JEEE CN(C[C@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)CCO1)C(=O)OC(C)(C)C 2267541131 ZLQVZHUKIZEALB-AWEZNQCLSA-N 467.397 2.150 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2CCC[C@]2(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2268637758 FOJLPAYZUAQNQR-ASSNKEHSSA-N 464.397 2.235 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)O1 2268711530 MKYCGCMHHYHCFN-ZIAGYGMSSA-N 467.397 2.131 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)Nc2ccc(F)cc2B2OC(C)(C)C(C)(C)O2)C1 2268715624 RFKLPFYIPXJLBL-QFIPXVFZSA-N 450.316 2.435 30 10 JEEE CC(C)(C)OC(=O)NCCCN(CCO)C(=O)c1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2281774641 ZGVCGLZBWINVOR-UHFFFAOYSA-N 466.359 2.474 30 10 JEEE CC(C)[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282034386 HQRRTCAJRTYPPO-KRWDZBQOSA-N 462.400 2.437 30 10 JEEE C[C@@H]1C[C@@H](CNC(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2282043588 KNPCROUBCNXYCA-CVEARBPZSA-N 462.400 2.342 30 10 JEEE Cn1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)CCC23CC3)nc1B1OC(C)(C)C(C)(C)O1 2282044837 WPAZMGZQAIQMLY-UHFFFAOYSA-N 460.384 2.335 30 10 JEEE Cn1nc(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)c1Cl 2282049600 BOILBHANAQXVEN-STQMWFEESA-N 486.781 2.450 30 10 JEEE CC(C)(C)OC(=O)NCC1(CNC(=O)c2c(F)cccc2B2OC(C)(C)C(C)(C)O2)COC1 2282134765 VIEGFYSWRKFBDO-UHFFFAOYSA-N 464.343 2.396 30 10 JEEE CN(Cc1nc(NC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)n[nH]1)C(=O)OC(C)(C)C 2282181702 JPVQOINLUCVXND-UHFFFAOYSA-N 458.328 2.118 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](O)CN(C(=O)c2c(F)cccc2B2OC(C)(C)C(C)(C)O2)C1 2282467190 IPXCJYXEPKBDEC-HUUCEWRRSA-N 464.343 2.225 30 10 JEEE Cc1c(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)nn1C 2282587219 JSZYHJGTHQUYOZ-GJZGRUSLSA-N 466.363 2.105 30 10 JEEE Cc1ccc(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 2282670980 NVUFJCNIXGKXEK-MOPGFXCFSA-N 460.380 2.394 30 10 JEEE CC(C)(C)OC(=O)NC[C@]12CC[C@H]1CN(C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)C2 2283067135 DQYHCLUXERGYNV-WNSKOXEYSA-N 458.368 2.153 30 10 JEEE CC(C)(C)OC(=O)NCCCC[S@@](C)(=O)=NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2283068728 NPJZRWPQVKZXFE-MGBGTMOVSA-N 482.412 2.319 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H]2CN(C(=O)c3nccnc3B3OC(C)(C)C(C)(C)O3)C[C@@H]2C1 2283069740 SRHBIGRYAXJXGB-HOTGVXAUSA-N 458.368 2.105 30 10 JEEE C[C@H](c1nscc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)C1(CO)CN(C(=O)OC(C)(C)C)C1 2283955301 KXHJLJDFUFXGRF-CQSZACIVSA-N 481.424 2.191 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1NC(=O)CC1(O)CN(C(=O)OC(C)(C)C)C1 2283986005 BOQPVFQHQZQMJI-UHFFFAOYSA-N 462.352 2.305 30 10 JEEE CC(C)(C)OC(=O)N[C@@]1(C(=O)Nc2ccccc2B2OC(C)(C)C(C)(C)O2)CCS(=O)(=O)C1 2284066188 QMTIDKAUPQCQDQ-QFIPXVFZSA-N 480.392 2.006 30 10 JEEE C[C@H](OCc1ccccc1)[C@@H](NC(=O)c1nn(C)c(Cl)c1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284429423 FHFOEBBQRHECEX-XJKSGUPXSA-N 477.754 2.161 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N[C@H](C(=O)O)[C@H](C)OCc1ccccc1 2285197526 MMPXFLZCDKTLNG-JXFKEZNVSA-N 454.332 2.478 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C2)n1C 2362495191 UHVWHKRPUQDGGP-ZBFHGGJFSA-N 462.400 2.403 30 10 JEEE COc1nc(N2CCN(C(=O)OC(C)(C)C)[C@H]3COC[C@@H]32)ccc1B1OC(C)(C)C(C)(C)O1 2365348671 TWOOGQAMLXTFTB-IRXDYDNUSA-N 461.368 2.214 30 10 JEEE CC1(C)OB(c2cc(S(=O)(=O)N[C@@H](CCO)COCc3ccccc3)ccc2F)OC1(C)C 2369631716 YPBFBJUUKSUTNB-SFHVURJKSA-N 479.379 2.371 30 10 JEEE Cc1nn(CCO)c(C)c1/C=N/Nc1nc(SCC(=O)NCc2cccc(C(F)(F)F)c2)n[nH]1 59887696 QINPJJKSJYBSIF-KIBLKLHPSA-N 496.519 2.484 30 10 JEEE COc1cc([C@@H]2/C(=C(/O)c3ccccc3)C(=O)C(=O)N2CCN2CCOCC2)cc(OC)c1OC 102503073 JXHOCHANXUDULY-RKKARLDVSA-N 482.533 2.466 30 10 JEEE COCCCn1c(=C(C#N)C(=O)NCc2ccccc2)sc(=Cc2ccccc2OC(F)F)c1=O 254509140 OKHKSEHEGJIMOM-UHFFFAOYSA-N 499.539 2.367 30 10 JEEE O=C(CN1C(=O)c2ccccc2C1=O)N[C@@H]1CCN[C@@H](C(=O)/C=C/c2ccc(Cl)cc2)C1 585824403 QMWOOSYOMJKBDR-JACSLDNWSA-N 451.910 2.455 30 10 JEEE C=CCn1c(=O)c2ccccc2n2c(=S)n(CN3CCN([C@H](C)C(=O)NC4CCCC4)CC3)nc12 728905726 IGZCEFGVDXJYEH-GOSISDBHSA-N 495.653 2.389 30 10 JEEE C#CCN(C(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1)[C@@H]1CCS(=O)(=O)C1 729334220 KENVVIZDCQSOJK-JKSUJKDBSA-N 457.379 2.495 30 10 JEEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1cccc(Cl)c1 729669053 YHGLZDUFPSWVBC-UHFFFAOYSA-N 463.950 2.228 30 10 JEEE C=CCN(CC(=O)NN1C(=O)N[C@@](CC)(c2ccccc2)C1=O)Cc1cccc([N+](=O)[O-])c1 745169454 OVECBTVQUJWPFL-QHCPKHFHSA-N 451.483 2.471 30 10 JEEE C#CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](CCN(C)C)C(=O)O 757544596 DBQCVBDTKYAWCN-PKTZIBPZSA-N 463.534 2.438 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)O[C@H](C)C(=O)N[C@@H]3CCN(Cc4ccccc4)C3)cc2C1=O 853260791 ICIBIJAVZKENQF-YLJYHZDGSA-N 461.518 2.405 30 10 JEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@H](Oc3ccnc(CN(C)C(C)C)c3)C2)c1 856662517 VUSLMCWRAOPGGW-QFIPXVFZSA-N 470.595 2.127 30 10 JEEE COc1cc(C=NNc2nc(SCC(=O)Nc3cccc(C#N)c3)n[nH]2)cc([N+](=O)[O-])c1O 1084563227 FQNGKNAAVHURNY-UHFFFAOYSA-N 468.455 2.476 30 10 JEEE C=CCn1nc(C)c(C=NNc2nc(SCC(=O)NCc3ccc4c(c3)OCO4)n[nH]2)c1C 1084641327 WXTRLGHZEBLCGR-UHFFFAOYSA-N 468.543 2.387 30 10 JEEE C#CCOc1ccccc1CNC(=O)c1ccc(I)cc1-n1cnnn1 1136810188 SUHJQJPAVSBGDD-UHFFFAOYSA-N 459.247 2.209 30 10 JEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](O)c3ccccc3C(F)(F)F)CC2)cc1 1141413762 HMDDNQAIHVEPAU-SFHVURJKSA-N 453.442 2.144 30 10 JEEE C=C(Cl)C[C@@H](NS(=O)(=O)c1c(C)nn2cc(Br)cnc12)C(=O)OCC 1193572624 FHSUCNDIVKWAIE-LLVKDONJSA-N 451.730 2.153 30 10 JEEE COC(=O)C(C)(C)c1ccc(S(=O)(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 1211491241 GYEJFXGFIJODPS-HXUWFJFHSA-N 455.536 2.483 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCN1C[C@H](C)C[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1286394093 NFJCSKNGCOKWFF-GXRSIYKFSA-N 477.675 2.167 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CCO[C@H]1C 1286434317 JJUFRPPCWSNECX-AXHZCLLHSA-N 457.575 2.353 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H](C)CN(C)C(=O)OC(C)(C)C)CC1 1286485795 YKCDBBBRUKQOOC-ACRUOGEOSA-N 490.649 2.260 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC2(O)CCOCC2)CC1 1286491432 RQNJICSDQODETQ-UHFFFAOYSA-N 471.989 2.030 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2CCn2cc(C)cn2)CC1 1286491746 ACWNSJRGHFKMQT-UHFFFAOYSA-N 461.570 2.336 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCO[C@H](CNC(C)=O)C1 1286547038 MOHRFFQEWMHQAW-WWNPGLIZSA-N 496.612 2.470 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1286778742 AACOQUYBYISJEY-FUHWJXTLSA-N 474.993 2.268 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1286821525 ODMMEOXAWKCJMZ-QGZVFWFLSA-N 495.596 2.441 30 10 JEEE CC(C)OCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1288401220 FOHOFNCCRMSDQM-VQTJNVASSA-N 459.572 2.055 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ccccc1C(C)C 1300311608 UMRPYKNLOJBWIG-RXVVDRJESA-N 475.615 2.271 30 10 JEEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1ncn(-c2ccccc2)n1)[C@@H]1CCS(=O)(=O)C1 1300481925 CGYXKLIKODXZIW-PKOBYXMFSA-N 453.572 2.047 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1Cc1nccc(C(F)F)n1)[C@@H]1CCS(=O)(=O)C1 1300499493 SRNCYFWHSCFTJH-MRXNPFEDSA-N 490.511 2.411 30 10 JEEE C#CCN(CC#CC)c1nnc(Cc2ccncc2)n1Cc1cccc(OCC(=O)N(C)C)c1 1300587330 RXOISOUDHSRBOG-UHFFFAOYSA-N 456.550 2.242 30 10 JEEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1CC1(N2CCOCC2)CCCCC1 1300674942 IBZXHMDNXUFGCU-UHFFFAOYSA-N 469.634 2.261 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccccc2OC)nnc1N1CCO[C@H](CNC(C)=O)C1 1300898603 YQKKWUJLDCRUMP-ROKPMTFOSA-N 485.585 2.188 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1301502837 QFPXVYRLJNNOQS-QHCPKHFHSA-N 469.977 2.310 30 10 JEEE C=CCNC(=O)Cn1c(N2CCCC[C@H](S(C)(=O)=O)C2)nnc1C1(c2ccccc2)CCC1 1301520139 URGWFCSQGZQTCS-FQEVSTJZSA-N 471.627 2.454 30 10 JEEE C=CCSCCn1c(Cc2cccnc2)nnc1N1CCN(c2nccc(OC)n2)CC1 1301615794 WOUOCHVWAGBATG-UHFFFAOYSA-N 452.588 2.308 30 10 JEEE C#CCN(C(=O)c1ccc([C@]2(C)NC(=O)NC2=O)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 1303655677 IYYNYGFERWPCAJ-DEOSSOPVSA-N 454.527 2.216 30 10 JEEE CCS(=O)(=O)NCCn1c(CC2CCCC2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1314556275 GIXOTYAREGRBDS-OAQYLSRUSA-N 472.615 2.400 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCCOC1)[C@H]1CCS(=O)(=O)C1 1358956950 MYDFHSBPSWLYFX-HOCLYGCPSA-N 482.404 2.089 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(Cl)cc1F)[C@H]1CCS(=O)(=O)C1 1358957206 RCHLKZRCTKDEEN-AVRDEDQJSA-N 496.992 2.398 30 10 JEEE C#CCN(c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCC(C)C)[C@H]1CCS(=O)(=O)C1 1358961643 CFIIMPXNUGTTCE-SFHVURJKSA-N 482.610 2.348 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@H]1CCCCN1CCC)[C@@H]1CCS(=O)(=O)C1 1358964823 HYQCXTPCWZYUHO-FGZHOGPDSA-N 470.643 2.155 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@]1(O)CCS(=O)(=O)C1 1358973508 UJKJKWYAJJJWHS-HSZRJFAPSA-N 484.578 2.435 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc3cccnc23)n1CCN/C(O)=C1/N=CC=CC1=O 1359021175 FMLATDUGGQWTHQ-GYHWCHFESA-N 471.521 2.106 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCN(c2cccnn2)CC1 1359090711 FNHQUFXAIWPGPP-ZJOUEHCJSA-N 457.579 2.100 30 10 JEEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1359128865 IJYZDMIPGUWESB-INIZCTEOSA-N 471.953 2.118 30 10 JEEE C=CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1359213841 JDCAFMNMZOXECE-INIZCTEOSA-N 456.572 2.172 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1359295126 QQWSZXBBAYAPNF-HXUWFJFHSA-N 494.415 2.025 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 1359300335 ZRJZQHYNJLCKCR-MOPGFXCFSA-N 467.574 2.033 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 1359302491 JGYPOLPWUGTIOO-FQEVSTJZSA-N 474.569 2.125 30 10 JEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](C)O[C@H](c2ccsc2)C1 1359303915 FPKGCLIFHDKHAT-MJGOQNOKSA-N 455.588 2.470 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H]1CCSC1 1359309217 LDEOKSUMPQMNJO-NVXWUHKLSA-N 451.618 2.443 30 10 JEEE C=CCOc1ccccc1Cn1c(CNC(=O)c2cccs2)nnc1N1CCNC(=O)CC1 1359310738 FILQAGVAGOKQMF-UHFFFAOYSA-N 466.567 2.209 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CC(F)(F)CO2)C1 1359324587 NQDZVTDDSGUUPL-GJZGRUSLSA-N 453.515 2.475 30 10 JEEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)CC[C@@H]1C 1359334850 SIKJLJZEKJTKCR-CVEARBPZSA-N 451.618 2.495 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(CC)[C@@H](C)C1 1359336196 IAAYHXRYKSDKJT-IPMKNSEASA-N 453.653 2.328 30 10 JEEE C=CCSCCn1c(Nc2cnn([C@@H]3CC3(F)F)c2)nnc1[C@H]1CN(S(C)(=O)=O)CCO1 1359346436 LHMVQPJBCLIINU-HUUCEWRRSA-N 489.574 2.050 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@H](O)c2ccccc2Br)s1 1451416272 DJILULPXUXPECF-OAHLLOKOSA-N 459.387 2.367 30 10 JEEE CNC(=O)[C@@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCc2c[nH]nc2C)C1 1503731531 CVINDBFEZJQSTI-DEOSSOPVSA-N 462.558 2.356 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC1CCN(CC(F)(F)F)CC1 1507538422 MIHNFPHITMXFAV-DOTOQJQBSA-N 461.554 2.303 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(C)(C)OCC)c1 1507550272 INDDDLQTEXNLCT-SFHVURJKSA-N 473.599 2.052 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCN(CC(F)(F)F)C1 1507648580 PRSRMLRFKJKJMY-QGZVFWFLSA-N 483.498 2.149 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2C[C@@H](C)CNC(=O)OC(C)(C)C)CC1 1507724069 FWVZADIEESMCBD-IBGZPJMESA-N 453.591 2.180 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](C#N)C1 1507794308 FCPXMESOBDYKBH-BJLQDIEVSA-N 457.556 2.059 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@H](C(N)=O)C1 1507798781 UGGQILJDLVXLQS-ZQIUZPCESA-N 463.380 2.339 30 10 JEEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(Cc2ccc(F)cc2)CC1 1507824087 QPBRPPGYFNKGDL-QGZVFWFLSA-N 450.584 2.316 30 10 JEEE C=C(C)Cn1c(N2CCC[C@@H](n3ccc(C(=O)NC)n3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1507835226 QHSVPBRYROVLQG-WZONZLPQSA-N 457.579 2.292 30 10 JEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](O)(c2cccc(F)c2)C1 1507935872 VNNXLVDMXCFMLF-NZQKXSOJSA-N 493.605 2.204 30 10 JEEE C=CCCOCCn1c(-c2cccnc2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1507959504 DHHDPIRRLCQVKT-UHFFFAOYSA-N 489.627 2.209 30 10 JEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC2CCCCC2)CC1 1507967961 PHMFXRKHPVUFOX-OAQYLSRUSA-N 465.664 2.475 30 10 JEEE C=CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@@](C)(C(N)=O)C1 1508154941 GGKGFKHLQMZLCK-HSZRJFAPSA-N 467.599 2.296 30 10 JEEE CC(C)C(=O)NCCn1c(CC(C)(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1508819841 CIVABFXMRQPOSZ-QGZVFWFLSA-N 453.595 2.016 30 10 JEEE C[C@@H](Oc1ccccc1F)c1nnc(N2CCO[C@@H](C#N)C2)n1CCN1CCN(C)C(C)(C)C1 1510280501 HUDAJQMIIPFFQD-MOPGFXCFSA-N 471.581 2.312 30 10 JEEE CCn1nc(-c2nnc(N(C)[C@H](C)CC#N)n2CCNC(=O)C(C)C)c2ccccc2c1=O 1515946111 DSQWHZIUAJMASZ-MRXNPFEDSA-N 450.547 2.185 30 10 JEEE Cc1nsc(N2CCN(C(=O)c3ccc(Cl)c(S(=O)(=O)N(C)C)c3)CC2)c1C#N 1527586817 CIAMBHXSLGJXTG-UHFFFAOYSA-N 453.977 2.189 30 10 JEEE C#CCN(c1nnc(C(C)C)n1Cc1ccn(Cc2ccccc2)n1)[C@@H]1CCS(=O)(=O)C1 1539203073 NIEYKHDLZRYSBW-OAQYLSRUSA-N 452.584 2.321 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1Cc1oc(CC)nc1C)[C@@H]1CCS(=O)(=O)C1 1539204701 CATZMNAEDAUECD-GOSISDBHSA-N 469.567 2.488 30 10 JEEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1Cc1ccsc1)[C@@H]1CCS(=O)(=O)C1 1539229431 CUEGGFIEIYXWAK-MRXNPFEDSA-N 475.621 2.006 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2Cc2ncnn2C(C)(C)C)CC1 1539477779 YJGDEBAVRQWDSE-UHFFFAOYSA-N 461.574 2.009 30 10 JEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCCN(C(=O)Cc2cccc(F)c2)CC1 1539526404 OIIPNSYUSKZQPB-UHFFFAOYSA-N 498.628 2.187 30 10 JEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F 1540873469 YQUFSNGJBVRZEP-UHFFFAOYSA-N 468.509 2.325 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](CC)c2ccccc2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1540898139 AWXSETDLAKXXEO-WOJBJXKFSA-N 457.600 2.232 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 1540902718 OVEUFMVNGAMIOZ-KRWDZBQOSA-N 462.572 2.217 30 10 JEEE CC(=O)NCC1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2c(C)nn(C)c2C)CC1 1541069480 GBCDVSFLVQCNRK-UHFFFAOYSA-N 476.585 2.480 30 10 JEEE CC(C)(C)NC(=O)CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCO[C@H](C#N)C1 1541196524 CKLNBZASBOYLBN-GOSISDBHSA-N 489.621 2.426 30 10 JEEE CC(C)N(C)CCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccccc2C#N)CC1 1541603236 BUKGKTXMCICSHX-UHFFFAOYSA-N 464.618 2.329 30 10 JEEE CC(C)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCOCC2(C)C)CC1 1541630000 HURLLGTWNKUCED-UHFFFAOYSA-N 467.618 2.370 30 10 JEEE Cc1ccc(Cn2c(CNC(=O)c3cccs3)nnc2N(CCC#N)CC2CC2)c(=O)n1C 1542399415 DPHFYLFKTRSQRG-UHFFFAOYSA-N 465.583 2.455 30 10 JEEE C[C@H]1C[C@@H](C)CN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N2CCOCC2)C1 1543579602 DSVALEGTASZIMC-KDURUIRLSA-N 452.559 2.460 30 10 JEEE CCOc1ccc(O[C@@H](C)c2nnc(N3CCO[C@H](C#N)C3)n2CCCN2CCOCC2)cc1 1547977831 DQKWUDAVEVRFJJ-SIKLNZKXSA-N 470.574 2.268 30 10 JEEE COC(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(C(N)=O)CCCC2)C1 1554522813 BDUUTRWBLHEVLT-SFHVURJKSA-N 466.542 2.164 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(O)(Cc3nc(C)cs3)CC2)s1 1557459079 IBBGMNJTYCWNLN-UHFFFAOYSA-N 455.627 2.116 30 10 JEEE C=C(C)Cn1c(SCC(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)nnc1-c1ccco1 1584209532 LYKGBAVAJFASGO-KRWDZBQOSA-N 458.588 2.147 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H](C)c1nccs1)[C@H]1CCS(=O)(=O)C1 1588065331 WXIRVTDCPCRULT-AEFFLSMTSA-N 456.597 2.151 30 10 JEEE C#CCN(c1nnc(COc2ccccc2OCC)n1C[C@]1(C)CCCO1)[C@@H]1CCS(=O)(=O)C1 1588069702 SPRWINZPWTVUKU-DVECYGJZSA-N 488.610 2.452 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H](OC)C2CC2)CC1 1588732752 FWRKGFXTYWEHAO-FQEVSTJZSA-N 456.978 2.042 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Cl)n2CC2(S(C)(=O)=O)CC2)CC1 1588913396 JLZCDTIASJUVTH-UHFFFAOYSA-N 476.002 2.142 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCCOc2ccc(C)cc2)CC1 1588923592 FWEQEEQFTMDALR-UHFFFAOYSA-N 461.570 2.422 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC(F)F)c2)n1CC1(O)CCS(=O)(=O)CC1 1589171782 SIYBVHQQDICIKX-OAQYLSRUSA-N 480.537 2.478 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N(C)CC(=O)N1CCOCC1 1589505794 OLPZPDNNJFZIBH-FDDCHVKYSA-N 485.585 2.239 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1589731739 UWSHAGMBBCDFRN-HZPDHXFCSA-N 469.633 2.029 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(c2ccccc2CO)CC1 1593636109 HBFBFXKNAWASCO-NRFANRHFSA-N 475.615 2.063 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCO[C@H](c2ccc(CC)cc2)C1 1595789598 XOPCALZIQMGXCT-NRFANRHFSA-N 468.583 2.476 30 10 JEEE C#CCN1CCC[C@H](NC(=O)[C@@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc(F)cc2)C1 1595791034 VYKMBCDKRAHRTN-GMAHTHKFSA-N 455.555 2.155 30 10 JEEE C[C@H]1[C@@H](C)SCCN1c1nnc(COc2ccc(C#N)cc2)n1CCC(=O)N1CCOCC1 1613038467 FIMHWTRETMBNTQ-ZWKOTPCHSA-N 470.599 2.308 30 10 JEEE COc1cc(OC)c2c(c1Cl)O[C@]1(C(=O)C=C(NCCN3CCOCC3)C[C@@H]1C)C2=O 1615244428 ZZMCZOLWLVLWPL-WHEQGISXSA-N 450.919 2.086 30 10 JEEE CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(CC#N)CC1 1617319427 CGMYPGYSLPMAKJ-UHFFFAOYSA-N 455.544 2.159 30 10 JEEE N#Cc1cccc(-c2nnc(N3CC[C@@H](C(=O)NCC(F)(F)F)C3)n2CCCN2CCOCC2)c1 1620347687 ADWNTUNWXZPLPY-LJQANCHMSA-N 491.518 2.044 30 10 JEEE C#Cc1cccc(NC(=O)CNC(=O)Nc2cc(C(F)(F)F)ccc2N2CCNC(=O)C2)c1 1671324929 KLILMFPAPURZFV-UHFFFAOYSA-N 459.428 2.383 30 10 JEEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@H](C(C)C)N1CCOCC1 1689972694 YDQAKTIGIWDQIG-VWLOTQADSA-N 479.673 2.069 30 10 JEEE C#CCN(c1nnc(Cc2c[nH]c3ccccc23)n1CCCCOC)[C@@H]1CCS(=O)(=O)C1 1689993334 BABKCYHOLZFQBS-LJQANCHMSA-N 455.584 2.404 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cccc(O)c1 1690019768 RDTYGJMYMVEZQD-FQEVSTJZSA-N 451.527 2.413 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCn1cc(Cl)cn1 1690043286 VZDNEARTEBXNGY-UHFFFAOYSA-N 470.990 2.251 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCCN1CCOCC1 1690043580 GFJYOYQTMBQJMT-UHFFFAOYSA-N 487.608 2.421 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2COc3ccccc3O2)n1CCCCN1CCC[C@@H]1CO 1690048010 AAISVLQLOPPWBO-ZJSXRUAMSA-N 463.582 2.490 30 10 JEEE C#CCN(CC)c1nnc(-c2ccc(F)cc2Br)n1CCN1CCCS1(=O)=O 1690067228 VSTUXNHRYRKBJZ-UHFFFAOYSA-N 470.368 2.342 30 10 JEEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1690159919 QXHDIXFVRGZXOJ-KRWDZBQOSA-N 464.613 2.342 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](COCC)C1 1690245928 OSRVCWZAHOUIJF-NMLBUPMWSA-N 452.621 2.414 30 10 JEEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1690674784 FJCLZQFPALUJOH-FQEVSTJZSA-N 484.601 2.095 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)cc3)n2CCS(=O)(=O)N2CCSCC2)C1 1690691433 DIVAAZNENNPHRP-FQEVSTJZSA-N 493.655 2.114 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(NC(C)C)CC1 1690720913 URSANVAATYLZNW-UHFFFAOYSA-N 475.615 2.284 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](c2ccc(F)c(F)c2)C1 1690722829 WVGPYXXIVPMYKJ-LJQANCHMSA-N 478.525 2.136 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@H](OCC)C1 1690723579 WFGOERNPOUAXHO-INIZCTEOSA-N 472.571 2.200 30 10 JEEE CC(C)(C)NC(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1691206371 DYNKMCRUQHWXBV-SFHVURJKSA-N 499.019 2.386 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1ccc(OC)nc1OC 1705490070 BNHXYMZBMMKWOY-HNNXBMFYSA-N 459.510 2.110 30 10 JEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 1705508996 AJPVPHVUDMADPN-QGZVFWFLSA-N 493.033 2.194 30 10 JEEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(C)(C)CC)[C@H]1CCS(=O)(=O)C1 1705560824 KWGJFGXQUCJZRG-SFHVURJKSA-N 478.640 2.412 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1CCN(C(=O)OC(C)(C)C)C1CC1)[C@H]1CCS(=O)(=O)C1 1705570321 OTILDIRQKPDWNR-IBGZPJMESA-N 477.631 2.257 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCS(=O)(=O)CC)CC1 1705633132 JZZLGHZBIBLWHS-HXUWFJFHSA-N 459.616 2.225 30 10 JEEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1705749446 XKAJNTFOYAVNBM-UHFFFAOYSA-N 452.346 2.320 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](c2ccc(F)cc2)O[C@H](C)C1 1705754899 HUPJQKRLGASMOX-LZQZEXGQSA-N 499.996 2.469 30 10 JEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(N3CCOCC3)CCCCC2)CC1 1705763487 WMHZWGNRUXVIDY-IBGZPJMESA-N 466.652 2.080 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CCN2C(=O)NC[C@H]2C1)C(C)C 1705867430 NOEYNXZHOVYZSQ-PWRODBHTSA-N 457.623 2.432 30 10 JEEE CCCn1nc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@](C)(O)CCOC)c2ccccc2c1=O 1709805755 GZZQVVBHRRGSEK-ZEQRLZLVSA-N 483.548 2.294 30 10 JEEE COc1ccc(C[C@@H](C)Cn2c(-c3cnn(C)c3)nnc2N2CCO[C@H](C#N)C2)cc1OC 1711788757 CUJVPQNVJQYLSG-VQIMIIECSA-N 451.531 2.303 30 10 JEEE C#CCCCn1c(N2Cc3c(OC)ccc(OC)c3[C@@H](O)C2)nnc1[C@]1(OCC)CCOC1 1722338219 GOVHSEZFIPDVPH-UUOWRZLLSA-N 456.543 2.414 30 10 JEEE C#CCN(c1nnc(COCC)n1Cc1ccccc1N1CCCCC1)[C@H]1CCS(=O)(=O)C1 1722371075 TUKQPMOFUKPDFU-NRFANRHFSA-N 471.627 2.480 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1CC1(NC(=O)OC(C)(C)C)COC1 1722426396 HRPVHUCIOYRJGU-FQEVSTJZSA-N 499.568 2.170 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1722728150 UOOVKKLJHZNEIT-GOSISDBHSA-N 469.608 2.035 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2ccccc2OC)CC1 1722730499 UPQACJXAIXGHBU-UHFFFAOYSA-N 499.641 2.076 30 10 JEEE C[C@@H]1CN(C(C)(C)Cn2c(CN3CCCC3=O)nnc2N(CCC#N)CC2CC2)C[C@@H](C)O1 1726637518 BEOUXXLODOYZCD-RTBURBONSA-N 457.623 2.418 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@H](C)CN1CCOCC1 1740550576 QQYRJUABSQKEMM-UXHICEINSA-N 477.613 2.491 30 10 JEEE C#CCCCn1c(CCOc2ccccc2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1740594307 IGMNMPUGSGUSJF-UHFFFAOYSA-N 450.587 2.057 30 10 JEEE C#CCN(c1nnc(CC2CCCC2)n1CCCN1CCCO[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1740625950 UGGSYMHQRVDXKY-UNMCSNQZSA-N 477.675 2.138 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)ccc3Br)n2CCCc2cnn(C)n2)CC1 1740697608 LLAOQWHLSNUNAN-UHFFFAOYSA-N 499.417 2.233 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CC[C@H](C)N2CCCCC2)CC1 1740707129 QDTMQMMKJAVHIB-NRFANRHFSA-N 463.630 2.494 30 10 JEEE C=C(Br)Cn1c(N2CC[C@H](N3CCN(CC)CC3)C2)nnc1[C@]1(OCC)CCOC1 1740748105 AAKQLSKEYWBRJH-RXVVDRJESA-N 483.455 2.055 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 1740793634 UYWFXXOIQKHOOD-IBGZPJMESA-N 472.977 2.324 30 10 JEEE C=CCCCCn1c(-c2cnccn2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1740861621 SIQXNXFERYWRCI-UGKGYDQZSA-N 452.607 2.470 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 1740954277 HRYAVDBBSSZUDR-AWEZNQCLSA-N 484.420 2.269 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(CCc3ccccc3)n2CCN2CCN(C(C)=O)CC2)C1 1740983122 BNUQAEJEVUZMCB-HSZRJFAPSA-N 452.603 2.009 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1740988847 RHAXAYLWXHUUGJ-DYVFJYSZSA-N 488.488 2.431 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)c2ccc(F)cc2)CC1 1740991258 RSIMEYQNPAXXMJ-IBGZPJMESA-N 489.573 2.068 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCS[C@@H](C(C)C)C2)nnc1[C@]1(OCC)CCOC1 1740995545 PGHNNBSVKXTTFI-XLIONFOSSA-N 458.650 2.109 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@](C)(O)c1ccc(F)cc1 1741929669 AFZJEGJZBYSHAX-JHVJFLLYSA-N 464.567 2.065 30 10 JEEE CNC(=O)[C@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)c2cccs2)C1 1748132179 BIXNLJSBVAZMGT-HSZRJFAPSA-N 463.567 2.271 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1ccc(NC(C)=O)nc1 1748664984 MDLAROJTUPDJFG-OAHLLOKOSA-N 456.510 2.052 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCN1CCOC[C@H]1C 1748665348 PPLWDPCCLOKMBK-RTBURBONSA-N 463.586 2.415 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Cc1cccs1 1748670970 FPRKVROJPFHHSR-XYJFISCASA-N 451.618 2.009 30 10 JEEE C#CCCCn1c(Cc2cccnc2)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1748756428 MFIXAISWGIZIPC-UHFFFAOYSA-N 464.595 2.329 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CC[S@@](=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1748808476 CRSDNDALYGOOQY-WTPASJBYSA-N 478.640 2.128 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2OC)n1CC1(NC(=O)OC(C)(C)C)COC1 1748836313 USUOFGJASBFJIK-UHFFFAOYSA-N 481.553 2.329 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@]1(O)CCO[C@H]1C 1749051593 JUVRIGFLGJYLOX-PBNUPURSSA-N 457.962 2.394 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccn2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1749127175 KFBVVRIUQMLEBW-QTEQDKRBSA-N 467.618 2.358 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1C(F)(F)C12CCC2 1749159147 PRKWBCDCWDFLTQ-JKSUJKDBSA-N 459.563 2.449 30 10 JEEE COCC[C@@](C)(O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1749608530 AQANLJUKKNYTIC-GBXCKJPGSA-N 450.543 2.182 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2CCN(CC)C2)C1 1749695933 MBOYGBZMKYWTMK-QUCCMNQESA-N 459.616 2.472 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1OCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1760180332 CDHMEWGWMAIAKQ-FRFSOERESA-N 482.404 2.087 30 10 JEEE C#CCN(c1nnc(-c2ccccc2F)n1Cc1ccc(OC)nc1)[C@@H]1CCS(=O)(=O)C1 1760184549 JPRJMDSJHVFPDW-QGZVFWFLSA-N 455.515 2.163 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCCOc1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 1760186834 GRHMKEXUGZTHQH-PMACEKPBSA-N 488.610 2.277 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC(C)(C)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1760191143 BMYVTJINTRPPRR-MRXNPFEDSA-N 472.537 2.355 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2ccnc(C(F)(F)F)c2)CC1 1760266064 OXZUZIVECLIJEG-MRXNPFEDSA-N 494.518 2.430 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1760267706 WVGSZMJVUPYQBP-MWTRTKDXSA-N 457.962 2.104 30 10 JEEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1760380850 PRCZDJNUQKORPG-LPHOPBHVSA-N 461.950 2.423 30 10 JEEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1760421686 XMYRVFTZMPMRLA-UHFFFAOYSA-N 467.574 2.412 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](CC)Oc1ccccc1F 1760465152 XYSRWWLTNXEYDO-APWZRJJASA-N 467.567 2.230 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccoc1 1760501120 HOCHHXBTRYNDNU-IBGZPJMESA-N 461.544 2.080 30 10 JEEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1760513558 IZSIZWXMDOMNSY-UHFFFAOYSA-N 456.494 2.351 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1760515971 UETNCEFKRQXLMU-YLJYHZDGSA-N 458.994 2.448 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1760516880 XEDMOCISGFBMKG-FUHWJXTLSA-N 458.538 2.354 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCCN(C(=O)c2ccccc2F)CC1 1760524182 QRLOPYOLTBSGGQ-HXUWFJFHSA-N 470.549 2.314 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2nc(C(C)C)cs2)C1 1760535648 UWUCYSLZLCVXPJ-LSDHHAIUSA-N 454.622 2.298 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(N(C)C)c(F)c2)C1 1760543633 QLEAKNKRAJJGPA-ROUUACIJSA-N 463.579 2.215 30 10 JEEE CC(=O)N1CCN(CCn2c(-c3cccc(C#N)c3)nnc2N(C)Cc2ncc(Cl)n2C)CC1 1760620007 DYQHNOXFKWZDBK-UHFFFAOYSA-N 481.992 2.004 30 10 JEEE Cc1ccc(SCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CCCN2CCCO)cc1 1761873801 IAPVVUQHTFSRRS-VQTJNVASSA-N 456.616 2.454 30 10 JEEE Cc1nc(C)n(C[C@H]2CCCN(c3nnc(-c4cccc(C#N)c4)n3CCCS(C)(=O)=O)C2)n1 1762463898 GJUVPQDDRTUMSM-FQEVSTJZSA-N 482.614 2.376 30 10 JEEE CCNC(=O)C1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@H](CNC(C)=O)C2)CCC1 1765616531 APBJTOAZBWUIDN-OAQYLSRUSA-N 493.612 2.388 30 10 JEEE CSc1ccc(F)cc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)C#N 1771424756 DZQBOLRNPOJZCL-WMLDXEAASA-N 482.607 2.116 30 10 JEEE CC(=O)N1CCCc2cc(S(=O)(=O)N[C@H]3CCN(C(=O)c4cccc(C#N)c4)C3)ccc21 1858298076 DTVJOCJJORRSJL-FQEVSTJZSA-N 452.536 2.050 30 10 JEEE C=CCN(CC=C)C(=O)[C@H](CC)NC(=O)[C@H]1CC(=O)N(CCc2ccc(OC)c(OC)c2)C1 1862161933 ICZVGCDEFWQGST-PMACEKPBSA-N 457.571 2.190 30 10 JEEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@H]1c1ccc(O)c([N+](=O)[O-])c1 1862466842 BPRJUUBVILASJU-GOSISDBHSA-N 479.367 2.432 30 10 JEEE COc1cc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2CCN(C)C)cc(OC)c1OC 1862567060 JOWLGWCSIZHGQF-FQEVSTJZSA-N 455.511 2.435 30 10 JEEE COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCNC=O)cc1 1862606843 BAOHBLGRJKQBAP-OAQYLSRUSA-N 452.463 2.181 30 10 JEEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccccc1[N+](=O)[O-] 1862609948 YRZQJHQLOZSYHA-FQEVSTJZSA-N 467.434 2.080 30 10 JEEE COc1cc([C@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2C[C@H](C)O)cc(OC)c1O 1862742348 CCLXPNUVNPTNGY-VOJFVSQTSA-N 458.423 2.277 30 10 JEEE COc1cc(NC(=O)[C@H](CO)NC(=O)C2CCN([C@@H](C#N)c3cccs3)CC2)cc(OC)c1 1866868564 VEBFBPJAELWYST-PMACEKPBSA-N 472.567 2.158 30 10 JEEE C=CCN(CC=C)c1nc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C(=O)OCC)cc3)C2)n(C)n1 1870003672 DUJMSNGJXHAHIH-QGZVFWFLSA-N 452.515 2.162 30 10 JEEE C=CCOc1cn(CCNC(C)=O)c(CNc2ccc(C(=O)NCCN(CC)CC)cc2)cc1=O 1870812523 WDNDBXBUVWLAQI-UHFFFAOYSA-N 483.613 2.233 30 10 JEEE COc1ccccc1OCC#CCNC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1890745671 LXUKLRPIZBGWFH-UHFFFAOYSA-N 460.527 2.434 30 10 JEEE C=C(I)CS(=O)(=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)O 1895191644 REWWXXBOCAYGIZ-CYBMUJFWSA-N 467.281 2.120 30 10 JEEE C#CC1CN(C(=O)c2cc(I)cc(I)c2O)C1 1945136532 ONBZXDWZUNFCLL-UHFFFAOYSA-N 453.017 2.307 30 10 JEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)N1CCC(B2OC(C)(C)C(C)(C)O2)CC1 1965096154 VKWRGXDOZJHHBR-KRWDZBQOSA-N 486.440 2.495 30 10 JEEE CC(C)([C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)S(=O)(=O)CC#CCO 1990657433 IGYWDYVLMFNSBQ-OAQYLSRUSA-N 471.531 2.167 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N[C@]1(CO)CCCN(C(=O)OC(C)(C)C)C1 2060136135 WFJQUVGZMNHXDF-OPAMFIHVSA-N 454.568 2.452 30 10 JEEE C#C[C@H]1COCCN1C(=O)c1cc(I)cc(I)c1O 2228819472 UIXROYMWNVJMHA-VIFPVBQESA-N 483.043 2.076 30 10 JEEE CC(C)(C)OC(=O)N1CC([S@@](C)(=O)=NC(=O)c2occc2B2OC(C)(C)C(C)(C)O2)C1 2255657423 OUPQXIYQHQTAJO-WJOKGBTCSA-N 454.354 2.436 30 10 JEEE C[C@@H](CNC(=O)OC(C)(C)C)NS(=O)(=O)c1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2255799871 NRMIVUSJPGQWHL-ZDUSSCGKSA-N 458.361 2.316 30 10 JEEE CC1(C)OB(c2cc(F)cc(F)c2S(=O)(=O)NCCNC(=O)OCc2ccccc2)OC1(C)C 2255951585 HSSUXHXOSRPNQX-UHFFFAOYSA-N 496.341 2.469 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1COC[C@H]1C(=O)NCc1sccc1B1OC(C)(C)C(C)(C)O1 2256659964 AIUCDQSGBMDAPL-HIFRSBDPSA-N 452.382 2.203 30 10 JEEE CN(Cc1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(=O)[C@H](CCO)NC(=O)OC(C)(C)C 2256671739 XEQOOCHGSJMANF-INIZCTEOSA-N 454.398 2.281 30 10 JEEE CN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1)[C@H](CNC(=O)OC(C)(C)C)C(F)(F)F 2267144004 QIGLIVWHOLPAME-GFCCVEGCSA-N 462.278 2.237 30 10 JEEE C[C@@H](NC(=O)C1(CO)CN(C(=O)OC(C)(C)C)C1)c1cscc1B1OC(C)(C)C(C)(C)O1 2268637931 GMOKWTJKKUUWQG-CQSZACIVSA-N 466.409 2.454 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](C1CC1)C(F)(F)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2268645996 XAWFEGDAKDEPRV-NSHDSACASA-N 474.339 2.136 30 10 JEEE CC(C)(C)OC(=O)N[C@H](C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1)[C@H](O)C(F)(F)F 2268719107 YOFFOLSDXLDPSK-QWRGUYRKSA-N 481.302 2.197 30 10 JEEE CC(C)(C)OC(=O)N1CCC(C)(C)[C@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2268725289 UNKPFULNBMTJMH-ZDUSSCGKSA-N 466.413 2.481 30 10 JEEE Cc1c(C(=O)NC[C@]23C[C@@H]2CN(C(=O)OC(C)(C)C)C3)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281800904 ACUJMSPODLFDBK-CMJOXMDJSA-N 460.384 2.015 30 10 JEEE Cn1ncc(C(=O)N2C[C@H]3CC[C@@]3(CNC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2281809986 YNCPIMJFIYNHDZ-IQMFZBJNSA-N 460.384 2.096 30 10 JEEE Cn1cc(C(=O)N2CC3(CCCN(C(=O)OC(C)(C)C)C3)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2281975370 LVFLATXRAICFKS-UHFFFAOYSA-N 460.384 2.192 30 10 JEEE Cc1nn(C)c(C(=O)N[C@@H]2[C@H]3CCCN(C(=O)OC(C)(C)C)[C@H]32)c1B1OC(C)(C)C(C)(C)O1 2281982303 MEDBCHSJDBOIET-DJIMGWMZSA-N 460.384 2.155 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2CCN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)CC[C@@H]2C1 2281984674 HJGAVMNABGTBRN-HZPDHXFCSA-N 460.384 2.428 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H]3CC[C@@H]32)n1 2281991640 CUVIHBJQMSHUQD-IRXDYDNUSA-N 460.384 2.426 30 10 JEEE Cc1nc(C(=O)N[C@@H]2CO[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)c(B2OC(C)(C)C(C)(C)O2)s1 2282014147 OIIPHNYUTYZGHF-RBSFLKMASA-N 479.408 2.115 30 10 JEEE C[C@H]1CN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C[C@H]1CCNC(=O)OC(C)(C)C 2282029529 TVHNLDDZWZRYFK-JKSUJKDBSA-N 460.384 2.399 30 10 JEEE CCc1nc(C(=O)Nc2n[nH]c(CNC(=O)OC(C)(C)C)n2)c(B2OC(C)(C)C(C)(C)O2)s1 2282031690 WEFFLMKMFBZZHS-UHFFFAOYSA-N 478.384 2.400 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H](NC(=O)OC(C)(C)C)CC(F)(F)C1 2282048637 OMXXVFBWVAOYTF-CYBMUJFWSA-N 470.326 2.094 30 10 JEEE Cn1cc(C(=O)N2CCC[C@H](CCNC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2282050723 CWWCZHJVCMJGFT-MRXNPFEDSA-N 462.400 2.486 30 10 JEEE CO[C@H]1C[C@H](CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)N(C(=O)OC(C)(C)C)C1 2282174756 RZPHPXFMYKEBEG-SJORKVTESA-N 461.368 2.135 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2F)C1 2282398091 WGQXUVRLUGXSPA-RHSMWYFYSA-N 464.343 2.083 30 10 JEEE Cn1ncc(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 2282536604 FLGQBCDGCOSMAZ-PHZGNYQRSA-N 460.384 2.380 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2CC(C)(C)CN2C(=O)OC(C)(C)C)n1 2282554505 FJZIDNXMDYLVQM-OAHLLOKOSA-N 462.400 2.485 30 10 JEEE Cn1cc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CCC2(C)C)nc1B1OC(C)(C)C(C)(C)O1 2282555785 YNSQLXDJFIGQGD-MRXNPFEDSA-N 462.400 2.485 30 10 JEEE Cn1nc(C(=O)N2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)cc1B1OC(C)(C)C(C)(C)O1 2282602968 ZSUXSBSGQYGOIN-WOJBJXKFSA-N 450.392 2.313 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@H]2CCN(C(=O)c3csnc3B3OC(C)(C)C(C)(C)O3)C[C@@H]21 2282614705 UDQZDKDKSJFHPZ-HOTGVXAUSA-N 479.408 2.293 30 10 JEEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1N(C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2282621464 RZCJRPXYJKFCLR-NVXWUHKLSA-N 462.400 2.437 30 10 JEEE C[C@@H]1CCN(C(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)[C@H](C)[C@@H]1NC(=O)C(F)(F)F 2282671591 XFRFLFIDSODCFQ-XJKCOSOUSA-N 455.286 2.298 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NC[C@]2(C)CCCN2Cc2ccccc2)n1 2282829536 GHYCKNUFQFQOQE-QHCPKHFHSA-N 474.436 2.052 30 10 JEEE CC1(C)OB(c2cccc(S(=O)(=O)NC[C@H]3CN(Cc4ccccc4)CCO3)c2)OC1(C)C 2282862552 FATFMCUWRGFQSA-NRFANRHFSA-N 472.416 2.165 30 10 JEEE CN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282868550 OZRDIYCJPRVNDF-UHFFFAOYSA-N 481.424 2.401 30 10 JEEE COCCN(CCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1O)C(=O)OC(C)(C)C 2282982834 MGTBVJXYCIKYMB-UHFFFAOYSA-N 464.368 2.305 30 10 JEEE Cc1nc(NC(=O)[C@@H]2CC[C@@H](CNC(=O)OC(C)(C)C)O2)ncc1B1OC(C)(C)C(C)(C)O1 2283955383 LMVKDTHNJMKZKR-HOCLYGCPSA-N 462.356 2.095 30 10 JEEE CC(C)(C)OC(=O)N1CC(CO)(C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)c(F)c2F)C1 2283972037 ZYMMXVARTPHEPU-UHFFFAOYSA-N 468.306 2.432 30 10 JEEE Cc1oc(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 2359277523 XOAKTGBOEYDSAS-DJIMGWMZSA-N 464.368 2.281 30 10 JEEE COc1ccc(NC(=O)CSc2nnc(N/N=C/c3cccc([N+](=O)[O-])c3)n2N)cc1OC 20291896 JNGZLFVBWWCFAY-UFFVCSGVSA-N 472.487 2.094 30 10 JEEE COc1ccc(C(=O)CSc2nnc(N/N=C/c3ccc(N(C)C)cc3)n2N)cc1OC 20527606 GBWSFUVBFHIZJJ-FSJBWODESA-N 455.544 2.496 30 10 JEEE C=CCN1C(=O)N[C@@H](c2ccc(C)cc2C)C2=C1CN(CC(=O)N1CCC(C(=O)OCC)CC1)C2=O 35971863 VGSOUEKWTOBUKW-DEOSSOPVSA-N 494.592 2.454 30 10 JEEE C=CCSc1nnc(NC(=O)CSc2n[nH]c(N/N=C/c3cnn(CC=C)c3)n2)s1 59831965 JEHQTWCZICKOGH-REZTVBANSA-N 462.590 2.494 30 10 JEEE COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccccc2OC)cc1 102490763 WQKUPPYMONIKPM-VFJWVMJUSA-N 452.507 2.458 30 10 JEEE COc1cc2c(cc1OC)/C(=C\C(=O)CCc1ccc(S(=O)(=O)N3CCOCC3)cc1)NCC2 102594724 KHYAZZWNQORLIH-XQNSMLJCSA-N 486.590 2.413 30 10 JEEE Cn1nc(Br)c2c(=O)n(CC(=O)N3CCC[C@@H]3[C@H](C#N)c3ccccc3)cnc21 1136915257 APLDKWZHOAKJDV-HUUCEWRRSA-N 455.316 2.191 30 10 JEEE C=CCN1CC[C@@H](N(C)C(=O)c2cccc(S(=O)(=O)N3CCc4sccc4C3)c2)C1=O 1139239108 HACZNVIESSIUQA-LJQANCHMSA-N 459.593 2.354 30 10 JEEE C[C@@H](Sc1ncccc1C(=O)N1CCN(c2cnccc2C#N)CC1)C(=O)N1CCCC1 1160051074 IBDSBFLXWJJKBL-QGZVFWFLSA-N 450.568 2.414 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC(=O)N1CCN(c2ccccc2)CC1 1286276519 RPLBMUDDGAUMQS-RLWLMLJZSA-N 480.613 2.125 30 10 JEEE C#CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CC)CCS(C)(=O)=O 1286324434 PNHINIGWKRJZDX-GOSISDBHSA-N 483.635 2.261 30 10 JEEE C#CCCCn1c(N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1286359287 AZPXJFIEIJXDHU-HSZRJFAPSA-N 469.546 2.362 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1CC1([S@](C)=O)CCC1)[C@H]1CCS(=O)(=O)C1 1286387657 STQPXRBPUFJTGM-PBYQXAPXSA-N 460.625 2.181 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H](C1CCCCC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1286387677 TXQIZJJRMSXBMR-UNMCSNQZSA-N 470.643 2.477 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@](C)(O)CCC(C)C)[C@H]1CCS(=O)(=O)C1 1286391432 DKLWNJAZHHBLMB-NZQKXSOJSA-N 459.616 2.078 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1Cc1cccnc1OC)[C@@H]1CCS(=O)(=O)C1 1286396308 PCWFRECUPFEPQF-HXUWFJFHSA-N 481.578 2.244 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](C)N(C)C1CC1)[C@@H]1CCS(=O)(=O)C1 1286398992 WCHAGNHOQBXMJH-CWJKEVGVSA-N 477.675 2.306 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1OC1CCCC1 1286409316 KBOJEZNVYAOPME-HSZRJFAPSA-N 497.621 2.054 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(-c2ccsc2)nc1 1286410094 RZHJEVBMUZEPFS-LJQANCHMSA-N 451.577 2.425 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCN1C[C@H](C)O[C@H](C)C1 1286425912 BURYEYUIZHPCDX-OYRHEFFESA-N 487.608 2.154 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(C)n2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1286426549 YVLDMLFULBZQDR-SFTDATJTSA-N 460.561 2.458 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc(Cl)nc3)n2C[C@@]2(O)CCO[C@H]2C)n1 1286472530 YWIDSOLGMGKWJW-SBUREZEXSA-N 485.976 2.016 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCCN2C[C@H](C)O[C@H](C)C2)CC1 1286474626 NWXAHMCHHTXWEO-OYRHEFFESA-N 482.629 2.217 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc4ccccc4o3)n2CC(C)(C)C(=O)NC)CC1 1286488360 XORONCYLTJXFDW-UHFFFAOYSA-N 462.554 2.429 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1286545990 DWIGUOHDCSZKOS-AABGKKOBSA-N 458.607 2.236 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1286792373 VYKBUAZPFOAJHR-QGZVFWFLSA-N 494.518 2.281 30 10 JEEE CC(C)C(=O)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCOC[C@H]2C)CC1 1287109078 HEVLFQNSANDPMO-HXUWFJFHSA-N 465.602 2.232 30 10 JEEE CS(=O)(=O)c1ccc(CCC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cc1 1290115829 GRHVVWIAQSIBHS-UHFFFAOYSA-N 454.508 2.491 30 10 JEEE C#CCN(c1nnc(-c2cc3ccccc3o2)n1CCCC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1300481883 CHGIUWSXVXOYOW-SFHVURJKSA-N 469.567 2.186 30 10 JEEE C#CCN(c1nnc(-c2cccc(Br)c2)n1CC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1300484945 VCHUBAPTHSGPHW-MRXNPFEDSA-N 467.389 2.105 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1cccc(CN(C)C)c1)[C@H]1CCS(=O)(=O)C1 1300487041 DVJOSZUOMYUKPI-QFIPXVFZSA-N 464.595 2.077 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(Br)c2)n1Cc1ccc(C(N)=O)nc1 1300656754 BEKZUZXMNTXIJN-UHFFFAOYSA-N 469.343 2.336 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@H](C)CN2CCOCC2)CC1 1300718554 SNFJMDGQJRITMV-OAQYLSRUSA-N 478.641 2.442 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(OC)c(F)c2)CC1 1300727174 UUAREQGASRUXDQ-LJQANCHMSA-N 455.534 2.334 30 10 JEEE C#CCSCCn1c(COc2cc(C)ccc2C)nnc1N(C)CC(=O)N1CCOCC1 1300770763 XXGPMYHHXNQODL-UHFFFAOYSA-N 457.600 2.135 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(CCOC)C(=O)C1 1300878025 ZHYKHKNEZIYAFL-WZONZLPQSA-N 485.585 2.239 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1300891556 ZKTRXCLTVOEYEH-NWSQWKLXSA-N 457.550 2.331 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CC)C1CC1 1301589854 YTVACFOLZCHSAP-QGZVFWFLSA-N 469.608 2.176 30 10 JEEE C=C(C)COCCNC(=O)N1CCN(C(=O)c2ccccc2I)CC1 1312258050 CRBFBOAKWRROES-UHFFFAOYSA-N 457.312 2.351 30 10 JEEE CS(=O)(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCC2CCOCC2)C1 1316354338 CBHUHKRIXUNPSM-HXUWFJFHSA-N 472.615 2.399 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1Cc1ccc(C)cc1OC)[C@H]1CCS(=O)(=O)C1 1358961300 WAZQTQKYVTWGHW-IBGZPJMESA-N 453.568 2.276 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCSC1)[C@H]1CCS(=O)(=O)C1 1358966243 KTJZBFJPDJACHU-OALUTQOASA-N 471.608 2.109 30 10 JEEE C#CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCOC(C)C)[C@@H]1CCS(=O)(=O)C1 1358967046 CFMOJZPGUPFSOB-CEXWTWQISA-N 495.646 2.101 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cc2c(cc1OC)C[C@@H](C)O2 1358968521 OLXGYQVZSCTVJJ-QGZVFWFLSA-N 456.506 2.379 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC1(S(C)(=O)=O)CCC1 1359019672 CILFWOLBLZGSDB-UHFFFAOYSA-N 468.583 2.389 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H](C)Oc2ccccc2OC)CC1 1359031056 ONUXQGHSYSPGID-CPJSRVTESA-N 469.586 2.162 30 10 JEEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC(C)C)C1CCCC1 1359057455 ZOHROYMOLXTSRR-IBGZPJMESA-N 469.677 2.382 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(Br)c3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1359313112 GXIJYCNJGONLGS-IRXDYDNUSA-N 489.374 2.477 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCN2CCCS2(=O)=O)C1 1359313916 TUAYKPRGKDSULF-XLIONFOSSA-N 479.578 2.374 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C)Oc2cccc(OC)c2)C1 1359322469 WDCQKLWYRARGNI-WAOWUJCRSA-N 476.599 2.438 30 10 JEEE C#Cc1cccc(N(CC)CC(=O)N2CCN(S(=O)(=O)c3cccc(C(C)=O)c3)CC2)c1 1459751802 AJIAPFMQWCJVRD-UHFFFAOYSA-N 453.564 2.230 30 10 JEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1507576144 KSLSVSMQEKHEEY-LJQANCHMSA-N 487.626 2.383 30 10 JEEE C#CCN(c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H](OC)[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1507634880 QTRMHIFNULFDOR-KSCDAYEDSA-N 488.610 2.478 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCN1CCOC(C)(C)C1 1507658107 BSVMBSFTMFZLIZ-UHFFFAOYSA-N 483.016 2.435 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2CCC(=O)N[C@H](C)CC)CC1 1507734262 KHTQCHAYLVYWEH-GOSISDBHSA-N 466.586 2.224 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccc2OC)nnc1N1CCC(NS(C)(=O)=O)CC1 1507808628 YSQNPYQNDIGKED-CVDCTZTESA-N 489.642 2.377 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)N2CCCCC2)CC1 1507883929 BOHHNGOHNJLFOF-LJQANCHMSA-N 466.652 2.032 30 10 JEEE C=CCCOCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1507958664 AQILNJVVAHHLFB-SFHVURJKSA-N 462.572 2.322 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@H]1C[C@@H](OCC)C1(C)C 1508088684 URLRKALVZRFBAR-RBUKOAKNSA-N 479.585 2.134 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1508130435 IBOSTBXNZJGAFT-FPOVZHCZSA-N 486.642 2.421 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN(C(=O)Cc2ccccc2C)CC1 1508137325 MJHCQRPYZRHQFU-UHFFFAOYSA-N 496.637 2.084 30 10 JEEE C=CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1508167132 HSJNYSVWCVZIGR-QGZVFWFLSA-N 458.588 2.341 30 10 JEEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1Cc1cccc(NC(=O)OC)c1 1513922598 CFOJJMVHPWGEMM-INIZCTEOSA-N 461.530 2.444 30 10 JEEE COCC[C@@](C)(O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1518959545 HZEOFHQIXGOZMT-HSZRJFAPSA-N 453.522 2.398 30 10 JEEE N#Cc1ccc(N2C[C@@H](C(=O)N[C@@H]3CCCN(Cc4ccccn4)C3=O)CC2=O)cc1Cl 1526849987 BDVXFJNAEHEKQG-OXJNMPFZSA-N 451.914 2.267 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CCN2CCCCC2)c1 1539037127 CLZNHWLHBCHCGK-UHFFFAOYSA-N 463.586 2.056 30 10 JEEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1539104841 QDMZNEINTWLMHJ-UHFFFAOYSA-N 477.470 2.357 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCCOC(F)F)[C@@H]1CCS(=O)(=O)C1 1539210235 AEUMRXCZSFNFTG-CQSZACIVSA-N 459.906 2.250 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@@H]1CCC[C@H](O)C1)[C@@H]1CCS(=O)(=O)C1 1539230729 PRKCIVRODSYOIQ-QRVBRYPASA-N 476.574 2.174 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccc(Br)cc2)n1CCN1CCOC[C@@H]1C 1539288993 KMIWPCKQIJGJQV-SFHVURJKSA-N 472.387 2.413 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1CCOC[C@@H]1OC 1539289879 ABSRJZVDWXLKRQ-CTNGQTDRSA-N 469.973 2.376 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1Cc1cccnc1N1CCOCC1 1539405931 QDEGWNMGHCPDAP-UHFFFAOYSA-N 457.538 2.183 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3OCC)n2C[C@@H]2CC(F)(F)CO2)CC1 1539462457 UWUUSWBKUAZQAK-SFHVURJKSA-N 461.513 2.435 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2CCCOC[C@@H]2CCOC2)CC1 1539475308 BHOMFGJCSBPOCU-IBGZPJMESA-N 469.561 2.493 30 10 JEEE C=C(C)COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1539728984 NFKOJULYHKLQHD-IBGZPJMESA-N 483.529 2.213 30 10 JEEE C=CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H]1NC(=O)CC1(C)C 1540198168 DAQHEZNJLCWFPP-QGZVFWFLSA-N 451.531 2.147 30 10 JEEE CC(=O)NC[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2(N(C)C)CCOCC2)C1 1541053718 GDLUCWIMKQAONB-NRFANRHFSA-N 465.602 2.280 30 10 JEEE C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(O)(C(F)(F)F)CC1)N1CCOCC1 1541840144 DNXFQRFIIAMVGX-MRXNPFEDSA-N 464.492 2.431 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)C(=O)c2cccc(S(=O)(=O)NCc3ccco3)c2)c1 1544670729 KAUVHWKABCGSKD-UHFFFAOYSA-N 451.504 2.450 30 10 JEEE CN(CCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@H](C#N)C1)CC(F)(F)F 1554275624 BCQSJHMBXYWYTI-QGZVFWFLSA-N 499.925 2.474 30 10 JEEE C#CCN(CC(=O)N(C)[C@@]1(c2ccccc2Cl)CCCCC1=O)[C@H]1CCS(=O)(=O)C1 1559632919 RNQANYDREUNIAQ-HTAPYJJXSA-N 450.988 2.259 30 10 JEEE C=CCOc1c(Br)cc(CNC[C@]23COCCN2C(=O)COC3)cc1OCC 1560561481 PUXKAXOXNRFRLU-HXUWFJFHSA-N 455.349 2.130 30 10 JEEE C=C[C@@H]1OCC[C@H]1NC(=O)c1cccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1 1587410770 BAVGPPRVUSLQRC-YADHBBJMSA-N 459.543 2.410 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCN1CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1588040227 KASIHFBTYFBLLX-MJGOQNOKSA-N 477.034 2.352 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H]1CCCN(CC(C)C)C1)[C@H]1CCS(=O)(=O)C1 1588073836 FOSRYMAAVPWEPD-PCCBWWKXSA-N 463.648 2.124 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1588074495 NNVNWUAAYQMBCA-QRVBRYPASA-N 493.630 2.013 30 10 JEEE C#CCN(c1nnc(CSc2ccccc2OC)n1CC1(C)COC1)[C@@H]1CCS(=O)(=O)C1 1588074835 SVTSVUGJRFEEFZ-QGZVFWFLSA-N 476.624 2.242 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccccc2F)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1588166522 IAUVYECGCDRJRE-FPOVZHCZSA-N 485.585 2.273 30 10 JEEE C#CCN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1CC1(OCCOC)CCOCC1 1588314852 SIQXLGXRLGPLFU-UHFFFAOYSA-N 466.542 2.266 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN(C)C(=O)OC(C)(C)C 1588595464 VDIUFDQYPKNXDJ-UHFFFAOYSA-N 491.614 2.302 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(C(=O)N3CCCC3)n2C[C@H]2CC[C@@H](C)C2)n1 1588694718 CCQLUWCCTDUHKO-UXHICEINSA-N 453.591 2.433 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCOc2ccc(F)c(Cl)c2)CC1 1588732969 JEUDDCPLZZRCMN-UHFFFAOYSA-N 460.941 2.141 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccc(OC)cc3)n2CCN2CCCC2)CC1 1588954410 HBFAHTVQWNACPS-UHFFFAOYSA-N 464.614 2.134 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC(O)(Cc2ccc(F)cc2)CC1 1595797826 JCSCEIDDMLUGGN-LJQANCHMSA-N 478.590 2.096 30 10 JEEE CC(=O)N[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCC[C@@H]2C)C1 1596463590 BKPFTULYYIIOHT-GHTZIAJQSA-N 451.575 2.318 30 10 JEEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCS(N)(=O)=O 1625895451 CWURPMNOLCYULH-OAQYLSRUSA-N 457.552 2.265 30 10 JEEE C#CCN(CC(=O)c1c(N)n(Cc2ccccc2)c(=O)n(CC)c1=O)[C@H]1CCc2ccccc21 1641587485 AKWMEVWANLBGRL-QFIPXVFZSA-N 456.546 2.466 30 10 JEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C(=O)OC)c2cccc(C(F)(F)F)c2)c1 1644884522 KQONMSPVOMBYEH-KRWDZBQOSA-N 454.426 2.261 30 10 JEEE Cc1c(CNC(=O)OC(C)(C)C)c(NC(=O)N2CCN(c3ccc(C#N)nc3)CC2)nn1C 1673188091 GFZOXRBNPCJCFL-UHFFFAOYSA-N 454.535 2.374 30 10 JEEE C=CCN(CC=C)[C@H](CNC(=O)N1CCN(S(=O)(=O)c2csc(C)n2)CC1)C(C)C 1674145867 UDHUWEPGZVOSSP-GOSISDBHSA-N 455.650 2.166 30 10 JEEE N#Cc1ccc(N2CCC[C@H](NC(=O)Nc3ccc(S(=O)(=O)NC4CC4)cc3)C2=O)cc1 1674631189 BEFCGOLKZOPSOU-FQEVSTJZSA-N 453.524 2.316 30 10 JEEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C)c(C)c2)n1CCS(=O)(=O)N1CCSCC1 1689863309 QYSUCTMZKLDMQS-IBGZPJMESA-N 477.656 2.310 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@]1(O)CCO[C@H]1C 1690046041 VWGRMQDMGGYVFQ-DFIYOIEZSA-N 471.602 2.395 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3)n2CC(=O)NCC(F)(F)F)CC1 1690114675 CPPBTVPYHNFVAK-UHFFFAOYSA-N 485.308 2.141 30 10 JEEE C#CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCO[C@H](C(C)C)C1 1690169680 KMTDBFSEOWGHMM-SFHVURJKSA-N 462.645 2.466 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)C(C)C)CC1 1690236811 RHRLBNCERWWZIE-QUCCMNQESA-N 467.574 2.211 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1690249736 AAKZQTJDVQVROT-OFNKIYASSA-N 489.642 2.135 30 10 JEEE C=C(Cl)Cn1c([C@H]2CCCOC2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1690344675 WZKQIVIVEYTSRY-PMACEKPBSA-N 453.031 2.156 30 10 JEEE C=CCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1690419303 MTXSCJLFJWLZRM-UHFFFAOYSA-N 454.641 2.269 30 10 JEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(=O)c2ccsc2)CC1 1690470391 AIYSEIHVXBTDPK-HNNXBMFYSA-N 466.633 2.315 30 10 JEEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(=O)c2ccsc2)CC1 1690470392 AIYSEIHVXBTDPK-OAHLLOKOSA-N 466.633 2.315 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1nc2c(s1)CCCC2 1690622440 POCJUTBJQZAYFU-INIZCTEOSA-N 465.645 2.397 30 10 JEEE C=CCn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 1690625885 BTIBGAUPTQWMFS-GOSISDBHSA-N 452.625 2.213 30 10 JEEE C=CCNC(=O)Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCn2nc(C)nc2C1 1690674997 MXHCLSOOLFOICW-UHFFFAOYSA-N 484.992 2.474 30 10 JEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2ccccc2OC)CC1 1690747001 QOPIAMIGPMSPMI-FQEVSTJZSA-N 491.683 2.430 30 10 JEEE CC(C)C(=O)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCSC2)CC1 1691407997 HIOJTVKXQPPWMT-QHCPKHFHSA-N 454.600 2.379 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCN1CCC[C@H]1C 1694346872 AIBGYGAFZFXMFI-LJQANCHMSA-N 479.633 2.274 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCN(C)C1CCCC1)[C@@H]1CCS(=O)(=O)C1 1705562690 HYSDAUCHIMRFIL-LJQANCHMSA-N 477.034 2.495 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)cc1OCC1CC1 1705582990 ODBXVWUKBKDZKU-OAQYLSRUSA-N 452.580 2.399 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCCN2CCOC2=O)CC1 1705633808 YWRRDNNOCJQOQQ-SFHVURJKSA-N 456.522 2.155 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(F)ccc3Br)n2CC(=O)NCCC)CC1 1705634121 JYJPOFTUFYOKET-UHFFFAOYSA-N 463.355 2.128 30 10 JEEE C=C(C)Cn1c(N2CCN([C@H](C)C(=O)N3CCCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1705728655 RMYASCIOHZZNBT-HYBUGGRVSA-N 460.623 2.028 30 10 JEEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 1705829054 GAENIBYJXNRQHT-MOPGFXCFSA-N 471.537 2.361 30 10 JEEE C=CCN(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CC1(O)CCS(=O)(=O)CC1 1705838337 LPASGJDXAFNWNX-UHFFFAOYSA-N 464.588 2.303 30 10 JEEE C=CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1705888643 KKTSANRBRNMIAA-XLIONFOSSA-N 454.575 2.137 30 10 JEEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1705894455 ZSGUPUQYSRMKFP-JKSUJKDBSA-N 459.551 2.009 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1705898968 DKZYFOHLTGCMSU-SFHVURJKSA-N 486.374 2.321 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 1705900664 LTPMUDVSGUDZRN-GOSISDBHSA-N 473.484 2.160 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCN(C(C)(C)C)CC1 1705901930 ZWTFEZROXMSCKC-UHFFFAOYSA-N 492.628 2.288 30 10 JEEE C=CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1705945692 PNFLPNOAPFSKEY-VXKWHMMOSA-N 478.707 2.323 30 10 JEEE COC(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2C[C@H](C)O[C@@H](C)C2)C1 1711444365 IEDIWZSTZSJNNT-BBTUJRGHSA-N 452.559 2.315 30 10 JEEE CS(=O)(=O)C1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@H](C(F)(F)F)C2)CC1 1712685280 ADOXUERUCPYUPL-HNNXBMFYSA-N 455.462 2.161 30 10 JEEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC2CCN(CC(F)(F)F)CC2)C1 1712875739 GYPUDJNDNOMCIC-QFBILLFUSA-N 492.543 2.287 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1CCS(=O)(=O)N(C)C 1722278710 QQOVHYFUOFQMLL-ZDUSSCGKSA-N 470.393 2.066 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1CCN1CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1722366955 UHLCOTPIQJNJSC-AZUAARDMSA-N 459.591 2.119 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCNC(C)=O 1722400146 ILLKSPPVWFNGRH-HXUWFJFHSA-N 456.591 2.382 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1([S@](C)=O)CCC1 1722448198 OJLQAEUVXJRECK-UMSFTDKQSA-N 482.610 2.062 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OCC)n2Cc2snnc2C)CC1 1722451176 ZNTGIAVMAKAZFM-UHFFFAOYSA-N 495.609 2.430 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1722511138 XBBNGERPNOJYAP-RCZVLFRGSA-N 481.645 2.236 30 10 JEEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1722532399 KWCRPDMFQDHKKL-KRWDZBQOSA-N 458.563 2.292 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)N1CCc2ccccc21 1722682225 YKSXIAFITSYNGS-AZUAARDMSA-N 459.616 2.270 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(O)(Cc2cccc(C)c2)CC1 1722702393 JGIBTUWYFYVRFR-GMAHTHKFSA-N 483.613 2.187 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1Cc1ccsc1 1723951371 BKSFVNMVSBTUMC-HNNXBMFYSA-N 489.602 2.335 30 10 JEEE C[C@H]1CC[C@H](C)N1CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)O)CC1 1726502512 CNOHNCMAIMVRGO-SFTDATJTSA-N 481.645 2.494 30 10 JEEE CCN(CC)CCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@H](C#N)C1 1728417832 HCMQHVPZZXRNTK-LJQANCHMSA-N 459.982 2.322 30 10 JEEE CCS(=O)(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)CN2CCOCC2)CC1 1729181314 HWYNTEBWBQRHRL-LJQANCHMSA-N 486.642 2.189 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1CCN1CCCS1(=O)=O 1740535072 NMRVQSVMGGQPBY-MSOLQXFVSA-N 461.588 2.310 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCNC(=O)c1occc1C 1740538712 JLJOEJSTDZYSJS-GOSISDBHSA-N 498.609 2.375 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1CC1(N2CCSCC2)CCCC1)[C@@H]1CCS(=O)(=O)C1 1740627390 PVAQBFCJORRZOG-HXUWFJFHSA-N 479.716 2.465 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1Cc1ccc(F)cn1)[C@H]1CCS(=O)(=O)C1 1740628879 VVTNMOYNDIXINY-FQEVSTJZSA-N 469.542 2.375 30 10 JEEE C#CCSCCn1c(Cc2ccsc2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1740721092 WULPHVHXNJAWNP-RXVVDRJESA-N 472.684 2.286 30 10 JEEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 1740887372 GUMHUDRUPIQROG-HXUWFJFHSA-N 457.550 2.405 30 10 JEEE C=CCN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCS(=O)(=O)NC)C1CC1 1740913123 FOOWQTDPAFCAHE-INIZCTEOSA-N 454.597 2.054 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c(-c2cnccn2)nnc1N1CCN2C(=O)CC[C@H]2C1)C(C)C 1740925206 AGPWZNUHHWNNPE-FPOVZHCZSA-N 450.591 2.245 30 10 JEEE C=CCn1c([C@@H](C)OCCOC)nnc1N1CCN(Cc2nc(O)c3ccccc3n2)CC1 1740943293 DMSRMKBECSPMMX-QGZVFWFLSA-N 453.547 2.159 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCNC(=O)OC(C)(C)C 1741124672 GNICILCLGCSUDC-HNNXBMFYSA-N 462.576 2.469 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2Cc2ncnn2C(C)(C)C)c1 1748692395 GMPWISNJVPWKIV-UHFFFAOYSA-N 472.557 2.130 30 10 JEEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1748724583 WNKARVIQULXSQI-IBGZPJMESA-N 456.616 2.232 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCN(C)CCCC)[C@@H]1CCS(=O)(=O)C1 1748809260 QXQFEUAILMPTGW-QGZVFWFLSA-N 497.463 2.394 30 10 JEEE C#CCN(c1nnc(CC)n1CC1CCN(Cc2cccs2)CC1)[C@@H]1CCS(=O)(=O)C1 1748817483 LHHKTTZQFCQADL-LJQANCHMSA-N 461.657 2.441 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCCc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1748820665 GSEZUUYERNFSJZ-QFIPXVFZSA-N 496.637 2.408 30 10 JEEE C#CCN(c1nnc(COc2ccccc2OC)n1C[C@@H]1CCC[C@H]1OC)[C@@H]1CCS(=O)(=O)C1 1748825272 XDBNITAZBQRFTR-XUVXKRRUSA-N 488.610 2.308 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(C)nc3ccccc23)n1CCNS(=O)(=O)CC 1748868961 OOGRBLLQCKLLGU-UHFFFAOYSA-N 450.568 2.204 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCO[C@H](C)C1 1748965662 UQRBNYCWRWFUGQ-AQNXPRMDSA-N 477.606 2.488 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H](OC)C(C)(C)C)CC1 1749003449 KIOGLNYCUWTAHJ-NBGIEHNGSA-N 475.634 2.346 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1749102461 MSQDDWGIXAHPIQ-KFKAGJAMSA-N 481.439 2.070 30 10 JEEE C=C(C)Cn1c(CC(C)C)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1749195057 FHTAXRJWBSOMLS-ZACQAIPSSA-N 453.609 2.179 30 10 JEEE C=CCCOCCn1c(-c2ccc(OC)cc2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1749449830 VMROGXUATBMJHR-HXUWFJFHSA-N 468.558 2.313 30 10 JEEE C=CCCOCCn1c(C2CCC2)nnc1N1C[C@@H]2[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1749457384 QJASEEMHXQUDPQ-CEXWTWQISA-N 495.646 2.265 30 10 JEEE C=CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 1749608052 HJEIFICLZKWTQF-IBGZPJMESA-N 485.614 2.398 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)CCCS(C)(=O)=O 1749655640 NVCATFRODWGVMG-HNNXBMFYSA-N 465.645 2.305 30 10 JEEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1760154115 AIQCFABJUTURDG-WOJBJXKFSA-N 474.606 2.305 30 10 JEEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(O)CCCCCC1)[C@H]1CCS(=O)(=O)C1 1760180802 LGGAUZXCAZSHSO-GBXCKJPGSA-N 494.658 2.031 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(OCC(C)C)cc2)CC1 1760264879 HMJITTJZHABJIC-UHFFFAOYSA-N 480.613 2.465 30 10 JEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 1760284091 FVGMLZCQVRHYDN-UHFFFAOYSA-N 472.590 2.241 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2ccccc2)C[C@@H]1C 1760357373 IRPFHDGNJVQDHX-RBBKRZOGSA-N 473.643 2.484 30 10 JEEE C=CC[C@H](Cn1c(CC(C)C)nnc1N1CCN(C(=O)Cn2cnnn2)CC1)c1ccccc1 1760419982 HCCUVNWZRGDPDH-OAQYLSRUSA-N 463.590 2.172 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 1760518424 USSHFCWIIQGCQE-UHFFFAOYSA-N 479.972 2.319 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1760520399 MCKRVAWDULZNJO-UHFFFAOYSA-N 469.609 2.381 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N(CC)[C@H]2CCS(=O)(=O)C2)cc1 1760530441 PBQGVKMRGSXSJA-IBGZPJMESA-N 473.599 2.141 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CCS(=O)(=O)C(C)(C)C)C1 1760550494 ZVPLMFHDAFVYFU-MRXNPFEDSA-N 481.644 2.264 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2C[C@@H](F)[C@@H](c3ccccc3)C2)nnc1[C@@]1(OCC)CCOC1 1760558056 DWVHNGCSPFPGEJ-TXTKFYIRSA-N 478.590 2.473 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCNC(C)=O)[C@@H]2c2ccccc2C(=O)O)cc1F 1862640613 PYXDSJQHCYXHOE-LJQANCHMSA-N 456.426 2.247 30 10 JEEE N#Cc1ccc(COc2cn(CCCO)c(CN3CCN(c4ccccn4)CC3)cc2=O)cc1 1870349150 BXWPZEFSVZNWBM-UHFFFAOYSA-N 459.550 2.399 30 10 JEEE CCCNC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1ccc([N+](=O)[O-])cc1 1874336404 BOGUFHBCBFBGMW-BRUSPLQXSA-N 473.559 2.411 30 10 JEEE CCOc1cc(/C=N/n2c(CNC(C)=O)nnc2SCC(=O)NCc2ccccc2)ccc1O 1874436243 RZGDYMLETXUGAX-LGJNPRDNSA-N 482.566 2.309 30 10 JEEE COc1ccc(C)cc1S(=O)(=O)N1CCC(OCC#CCN2CCN(C(C)C)CC2)CC1 1889703223 ABHUYMUGHJIDPD-UHFFFAOYSA-N 463.644 2.203 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1COC[C@H]1C(=O)NCCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2180969753 YUDQUPJCHZDREI-MOPGFXCFSA-N 460.380 2.184 30 10 JEEE Cn1nc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2255654217 UBZZCBLSUNRGCV-LBPRGKRZSA-N 454.764 2.112 30 10 JEEE CC[C@@H](CNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2255795276 UMMXZKSSJDOGDX-ZDUSSCGKSA-N 475.442 2.165 30 10 JEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(F)(F)C1(O)CN(C(=O)OC(C)(C)C)C1 2260066874 CMPQBFNOOTXLQO-AWEZNQCLSA-N 461.506 2.026 30 10 JEEE CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2267143016 BMKRYTAZSKEQMW-LBPRGKRZSA-N 456.299 2.083 30 10 JEEE CCO[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1NC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2267172084 SOYXVTMEAVPERV-KFWWJZLASA-N 467.397 2.243 30 10 JEEE Cc1cc(S(=O)(=O)N[C@H]2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)sc1B1OC(C)(C)C(C)(C)O1 2267357462 AOYXSASJWSSYCA-FOLVSLTJSA-N 484.449 2.499 30 10 JEEE C[C@@H]1CN(S(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1NC(=O)OC(C)(C)C 2267474219 QUCILGMWGYONAG-KGLIPLIRSA-N 487.453 2.117 30 10 JEEE CCO[C@@H](CNC(=O)OC(C)(C)C)CC(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2268640993 KRUSFJFUPVWBPU-CQSZACIVSA-N 469.413 2.378 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1COCCN(C(=O)c2ccc(F)cc2B2OC(C)(C)C(C)(C)O2)C1 2281786249 DSVAQKYPKVOSSM-INIZCTEOSA-N 464.343 2.491 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](O)CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2F)C1 2281790363 JLIGVQYNTUPHCV-HZPDHXFCSA-N 464.343 2.225 30 10 JEEE Cc1c(C(=O)N2CCC(N(C)C(=O)OC(C)(C)C)CC2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281798129 DSOJQYDHOXFFGU-UHFFFAOYSA-N 462.400 2.499 30 10 JEEE CC1(C)OB(c2cnccc2C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)OC1(C)C 2281804776 PMYMAPBXXRCDIN-HXUWFJFHSA-N 451.376 2.402 30 10 JEEE CC[C@@]1(NC(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)CCCN(C(=O)OCc2ccccc2)C1 2281956194 VEVXESTXFXOQTR-RUZDIDTESA-N 497.405 2.426 30 10 JEEE C[C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)N(C(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)C1 2281960980 HFROEPIPMYIXGD-CVEARBPZSA-N 462.400 2.485 30 10 JEEE C[C@H]1CN(C(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)C[C@@H](C)[C@@H]1NC(=O)OC(C)(C)C 2281983049 XZDLYVPJLCCHRS-QLPKVWCKSA-N 462.400 2.341 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C[C@]12CCOC2 2282009573 QBGOYSYIUTYLGK-PEBXRYMYSA-N 479.408 2.341 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1C[C@@H](F)CN(C(=O)OC(C)(C)C)C1 2282012734 ZWRUBEINGYZPHP-CABCVRRESA-N 466.363 2.105 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CCOC[C@@H]2OCc2ccccc2)n1 2282593301 OUPZKJXPYLQMFL-UXHICEINSA-N 455.364 2.306 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)[C@@H]2CCC[C@@H]21 2282624924 ORDYQGBZWBXHQQ-ULQDDVLXSA-N 458.368 2.294 30 10 JEEE Cc1ccc(C(=O)N[C@@]2(CO)CCN(C(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2282690522 XGEAHPVXYREOQS-DEOSSOPVSA-N 460.380 2.396 30 10 JEEE CC(C)(C)OC(=O)NCC1(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(O)cc2O)CC1 2282980383 MXUZPYPASRIXPY-UHFFFAOYSA-N 462.352 2.432 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1[C@@H](NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)C2 2283060422 METGQMDSEZMDSM-JYJNAYRXSA-N 458.368 2.294 30 10 JEEE CO[C@@H]1C[C@@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)c(C)n2)N(C(=O)OC(C)(C)C)C1 2283948741 QKBWLMDVGKNGTH-ZBFHGGJFSA-N 462.356 2.047 30 10 JEEE CC(C)(C)OC(=O)NCCOCC(=O)N1CCc2cc(B3OC(C)(C)C(C)(C)O3)ccc2C1 2283965066 PODKBRBABPNPHG-UHFFFAOYSA-N 460.380 2.412 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1COC[C@@H]1C(=O)NCCc1ccccc1B1OC(C)(C)C(C)(C)O1 2283970196 LLJBZKZDOMMIER-HKUYNNGSSA-N 460.380 2.184 30 10 JEEE COC[C@@]1(C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)CCCN1C(=O)OC(C)(C)C 2284059416 TWQPDTPWMPUJAJ-JOCHJYFZSA-N 481.424 2.475 30 10 JEEE COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)N[C@H](COCc1ccccc1)C(=O)O 2284461540 SHHIFHMGUVECTC-LJQANCHMSA-N 455.316 2.394 30 10 JEEE COc1cccc([C@@H]2C(=C(O)c3c(C)n[nH]c3C)C(=O)C(=O)N2CCCN2CCOCC2)c1 2296609541 QNLOSMXEOOONFB-OAQYLSRUSA-N 454.527 2.179 30 10 JEEE COc1ccc(C(O)=C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccncc2)cc1Cl 2296930181 DWTMDQZBNOFRHG-HXUWFJFHSA-N 457.914 2.498 30 10 JEEE COc1ccc(C(O)=C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(O)c(OC)c2)cc1C 2297742863 WGRYJWRVHJQWBJ-QHCPKHFHSA-N 482.533 2.472 30 10 JEEE C[C@@H](C#CC(=O)N1CCC(C2(O)CN(C(=O)OC(C)(C)C)C2)CC1)NC(=O)OC(C)(C)C 2318686805 ZTRPPNMLMAELMY-INIZCTEOSA-N 451.564 2.123 30 10 JEEE CC(C)(C)OC(=O)NC1(C(N)=O)CCN(c2ncc(Cl)cc2B2OC(C)(C)C(C)(C)O2)CC1 2364907132 FQVSZVROTJKKML-UHFFFAOYSA-N 480.802 2.383 30 10 JEEE COc1[nH]c(=N[C@@H]2CCO[C@H](CNC(=O)OC(C)(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2365348898 WQHKQOQLNJXCLV-CVEARBPZSA-N 463.384 2.296 30 10 JEEE COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccnc2)cc1Cl 102483365 XRQKHIIAPBMXKO-GOBJLOIFSA-N 457.914 2.498 30 10 JEEE C=CCNC(=O)CN1CCN(C(=O)c2nc(CC)n(-c3c(Cl)cccc3Cl)n2)CC1 492336201 NFQCUOJQVWHZQA-UHFFFAOYSA-N 451.358 2.197 30 10 JEEE C=CCNC(=O)CN1CCN(C(=O)[C@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)CC1 512709632 CJMBYRXTNZMENI-GOSISDBHSA-N 453.370 2.044 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)NCc3cccc(CN4CCC[C@@H](C(N)=O)C4)c3)cc2C1=O 519398803 SOYZMBMRJTZVEM-HXUWFJFHSA-N 460.534 2.096 30 10 JEEE N#CC(C(=O)Nc1ccccn1)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CCc1cccs1 729673282 WVZOOEPBMQGDKP-UHFFFAOYSA-N 498.593 2.398 30 10 JEEE CCNS(=O)(=O)c1ccc(NC(=O)CSc2n[nH]c(NN=Cc3ccccc3)n2)cc1 1083971170 JQHYNNGHPUROIM-UHFFFAOYSA-N 459.557 2.280 30 10 JEEE COc1ccc(CNC(=O)CSc2n[nH]c(NN=Cc3cc(OC)c(O)cc3[N+](=O)[O-])n2)cc1 1084016826 ZYDAVXLUZATBRO-UHFFFAOYSA-N 487.498 2.290 30 10 JEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)CC(=O)N1CCC[C@H](C(=O)OCC)C1 1142904894 OKTRXYPVRSMTPF-JKSUJKDBSA-N 459.971 2.282 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCS(=O)(=O)CC1CC1 1286291846 YRMMABPMKYJYAL-KRWDZBQOSA-N 482.610 2.348 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(OC)CCCC1 1286401961 UFTXXXSVPXJMSM-UHFFFAOYSA-N 455.584 2.227 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2CCc2scnc2C)CC1 1286485924 CKBLRDXQCDCSKA-UHFFFAOYSA-N 471.631 2.170 30 10 JEEE C=C(Br)Cn1c(COc2ccc(C)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1286543128 QKCOIUHNPAMAKW-NVXWUHKLSA-N 465.348 2.434 30 10 JEEE C=C(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1286588763 IYNYSQFNADECPK-OAHLLOKOSA-N 461.452 2.002 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccnc(N2CCCCC2)c1 1286772485 FFJJMNTUSPGUJK-HXUWFJFHSA-N 474.631 2.253 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1286783986 SFUNXQKTLLHFQY-ZDUSSCGKSA-N 457.888 2.369 30 10 JEEE C#C[C@@H]1CCCCN1C(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1CC 1289624654 LMRVZASYXPVLJH-GOSISDBHSA-N 458.584 2.024 30 10 JEEE CCOC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2CCOCC2)CC1 1296381301 ACZVKHIGRPHLOR-UHFFFAOYSA-N 454.531 2.434 30 10 JEEE CN(C)C(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1297963196 AAJNYBUXLVMDQE-UHFFFAOYSA-N 469.553 2.278 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@@H](C)CN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1300502446 URYCLPWEHUMYIW-AZUAARDMSA-N 461.657 2.289 30 10 JEEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1300558731 ARTWNCPLKNFSQD-OTPAQWSUSA-N 457.619 2.281 30 10 JEEE C#CCN(CC#CC)c1nnc(Cc2ccncc2)n1CC1(NC(=O)OC(C)(C)C)COC1 1300586472 DSEALXOQPJDZRA-UHFFFAOYSA-N 450.543 2.021 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2CC2CCN(CCN(C)C)CC2)CC1 1300719066 NICDXLSDDZZJGB-UHFFFAOYSA-N 495.647 2.324 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(OC(C)(C)C)nc2)CC1 1300727411 WYKUEBUTGRKVKE-HXUWFJFHSA-N 466.586 2.368 30 10 JEEE C=C(Br)Cn1c(Cc2ccccn2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1300851604 VYSOCJMBJQJMKR-OXQOHEQNSA-N 488.434 2.161 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCN(C(=O)OC)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1300897464 RSDUBFORCYFENB-SELNLUPBSA-N 463.579 2.188 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(OCC)cc2)CC1 1301086346 INTHOXFHHJVCGX-HXUWFJFHSA-N 461.588 2.214 30 10 JEEE C=CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1301452442 NMKSZNFXYFUDAW-MSOLQXFVSA-N 482.651 2.344 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1301483449 ORGFTVOUYWTUCX-OAHLLOKOSA-N 452.481 2.329 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1301492582 KKTYNWOWBBNUGN-LJQANCHMSA-N 480.573 2.314 30 10 JEEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCS[C@H](C)C2)cc1 1301518873 NGLJHKSOSPXOIU-CVEARBPZSA-N 451.618 2.443 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(C(=O)NCCC)c2)C1 1301535246 JSGSOWDSGWVLLA-OAQYLSRUSA-N 466.586 2.484 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](CC)c2ccccc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1301568062 CNRJSAHIEQZTHJ-MOPGFXCFSA-N 466.629 2.044 30 10 JEEE N#C[C@H]1CN(c2nnc(-c3cccc(Br)c3)n2C[C@H]2CCCS(=O)(=O)C2)CCO1 1303001639 FYMWMWBSIXJTNT-PBHICJAKSA-N 480.388 2.261 30 10 JEEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)CC1=O 1316126275 DALCMABEYOBVQA-SFHVURJKSA-N 497.600 2.367 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(Br)c1 1358930142 PGQUOQPJIUCAFG-GOSISDBHSA-N 496.431 2.423 30 10 JEEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1358933446 UHPPKJFWOXANJG-OAQYLSRUSA-N 466.634 2.122 30 10 JEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C(C)C)N1CCOCC1 1358949705 KOBFKVNQRUAIIP-VQTJNVASSA-N 476.622 2.013 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CCCCS1(=O)=O 1358983575 NPMFHSFNAZNRCR-OTWHNJEPSA-N 475.615 2.089 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cn2nc(C)cc2C)n1CCS(=O)(=O)CC 1359018006 ZTHKXDCEUVNWCE-UHFFFAOYSA-N 458.563 2.353 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN1CCCCCC1 1359019660 CAHZWEGGYYSDFV-UHFFFAOYSA-N 459.616 2.311 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@](C)(O)C2CCCCC2)CC1 1359031730 NRLCSUUUVOARDM-RUZDIDTESA-N 485.654 2.435 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CCC2CC(OCC)C2)CC1 1359046193 HVPUOLILMSAHDA-UHFFFAOYSA-N 450.587 2.435 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CCn2cncn2)CC1 1359047376 DQFHJEROFQLICB-UHFFFAOYSA-N 485.017 2.481 30 10 JEEE C=C(Br)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)NC)CC1 1359078697 LGNRVFWLLUWHNZ-UHFFFAOYSA-N 450.297 2.223 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)C[C@H](C)CC 1359098784 FXUZIXLMDWFZPB-WTGUMLROSA-N 469.652 2.465 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccccc2F)nnc1N1CCN(CC(=O)N(C)C)CC1 1359101512 OZSTTWLSJVBANU-HYBUGGRVSA-N 470.593 2.199 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCOC[C@@H]1OC 1359254754 BWWOPRBOEGGVNQ-SJBKTWHCSA-N 490.626 2.433 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)NCC(F)(F)F 1359275203 MZEQSNJWIYDDLR-QGZVFWFLSA-N 485.532 2.094 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCO[C@](C)(CC)C1 1359299003 RJGPEUWZEKRLCB-RUZDIDTESA-N 479.585 2.373 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1359327885 NIGGIEZAEWOIJB-SFHVURJKSA-N 480.034 2.358 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1359328845 PNGACZYPSDGIBI-VGSWGCGISA-N 491.570 2.228 30 10 JEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1359343099 LVJZLOTYUAMQSX-GOSISDBHSA-N 469.677 2.183 30 10 JEEE C#CCN(C(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)[C@@H]1CCS(=O)(=O)C1 1359871761 QCPSHXQBALARDU-LLVKDONJSA-N 457.295 2.350 30 10 JEEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1ccccc1C(F)(F)F 1470394115 LNUWLQJWFQXTCA-IJEWVQPXSA-N 459.490 2.327 30 10 JEEE Cc1nsc(N2CCN(C(=O)Nc3ccc(CC(=O)N4CCOCC4)cc3)CC2)c1C#N 1475952811 ACFDESFZZBLTHR-UHFFFAOYSA-N 454.556 2.079 30 10 JEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(N(C)C(C)=O)CC1 1507578136 UZVAYGWHNTZGDM-UHFFFAOYSA-N 472.615 2.056 30 10 JEEE C#CCN(C)c1nnc(-c2cc(OC)cc(OC)c2)n1CC1(N2CCOCC2)CC(OCC)C1 1507603326 PKXSPTABFUQFFD-UHFFFAOYSA-N 469.586 2.302 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@H](C1CC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1507635700 YTITUYOHQMFSQE-FCHUYYIVSA-N 455.628 2.144 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ncc(CC)s2)CC1 1507737172 ZGTMGEDEJAEKGW-DEOSSOPVSA-N 486.642 2.352 30 10 JEEE C#CCSCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@H](C(N)=O)C1 1507756187 YJPOFRPIMHUOCR-ROUUACIJSA-N 476.647 2.461 30 10 JEEE C=C(Br)Cn1c(-c2ccccn2)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1507783053 CMPANLNLYKADRJ-OAHLLOKOSA-N 470.393 2.279 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCN(S(=O)(=O)Cc3ccon3)CC2)nnc1C(C)(C)C 1507808497 GXVQKJBQWRGLRO-MJGOQNOKSA-N 478.619 2.197 30 10 JEEE C=CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCS(=O)(=O)CC1 1507928133 AMRSCFYMRPZSKY-UHFFFAOYSA-N 451.980 2.453 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1508073572 KPAKHAPBEOIEJQ-MAUKXSAKSA-N 487.992 2.414 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCO[C@@]2(CCOC2)C1 1508076050 RQZBVANATUJLIP-CYFREDJKSA-N 455.559 2.333 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC(CC(=O)NC)CC1 1508076571 VCTIDAVTYUAQOD-INIZCTEOSA-N 458.538 2.212 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1508130428 IBOSTBXNZJGAFT-CTNGQTDRSA-N 486.642 2.421 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(NC(=O)N(C)C)cc2)C1 1508132851 ZWBNVLMRNVLYJI-FQEVSTJZSA-N 467.574 2.324 30 10 JEEE C=CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@@H](NC(C)=O)C1 1508163625 VYEGDKDCQVEGCI-HXUWFJFHSA-N 470.647 2.476 30 10 JEEE C=CCSCCn1c(N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1508167268 HDGLYSVEAINTEI-DHIUTWEWSA-N 492.646 2.052 30 10 JEEE CC(C)NC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1509754039 HETFRXHDZVMUEX-HXUWFJFHSA-N 455.538 2.382 30 10 JEEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CN(Cc2ccccc2)CCCO1 1509949239 CHJZXZWMBUTWPO-BAGYTPMASA-N 486.642 2.210 30 10 JEEE Cc1nc(N2CCOCC2)sc1-c1nnc(N(C)[C@@H](C)CC#N)n1CCCC(=O)NC1CC1 1510424868 CGSXGOHCVDULRV-HNNXBMFYSA-N 472.619 2.344 30 10 JEEE CC[C@H](C)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CCN1CCCS1(=O)=O 1513014793 CYRLWDDGJDNYRI-KRWDZBQOSA-N 475.594 2.164 30 10 JEEE CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCC[C@H]2C(=O)N(C)C)CCO1 1514138432 HNZVICOTOTXTKR-YADHBBJMSA-N 465.602 2.375 30 10 JEEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCCc3c2[nH]c2ccc(Br)cc32)C1=O 1524628322 GDLHDBLTRDQXMA-OAHLLOKOSA-N 459.300 2.401 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H]2CCN(C(=O)CCc3ccccc3)C2)ccc1F 1535436978 HEBUOCAUADKOIV-LJQANCHMSA-N 459.543 2.254 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CC(=O)NCc1ccco1)[C@H]1CCS(=O)(=O)C1 1539212256 OHCTZEYYFAUTKM-FQEVSTJZSA-N 481.578 2.044 30 10 JEEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1C[C@@H](OC)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1539225507 OJZXKJCNQJBZPZ-VQTJNVASSA-N 484.626 2.204 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@@H]1CCC[C@@H](O)C1)[C@H]1CCS(=O)(=O)C1 1539230727 PRKCIVRODSYOIQ-CEXWTWQISA-N 476.574 2.174 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc(Cl)cc3)n2C[C@]2(O)CCN(C)C2)n1 1539423785 GFMCVVOAJVHGDV-DEOSSOPVSA-N 484.004 2.148 30 10 JEEE C#CCN1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2Cc2nnc(C)s2)CC1 1539447344 QOWXVTUJKYUHEV-UHFFFAOYSA-N 486.646 2.356 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CCNC(=O)c2cccs2)CC1 1539477622 SZBVEYYFBXZPQC-UHFFFAOYSA-N 477.594 2.106 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1539615200 HBOXTTJNNVEAAL-LCLWPZTBSA-N 458.607 2.140 30 10 JEEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@]2(CCC(=O)N2)C1 1539803715 MFVZHHCLXJWWLA-YCRPNKLZSA-N 466.970 2.198 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F 1540872850 CJPMBPVUMBUPTB-UHFFFAOYSA-N 487.490 2.208 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(CSc3ccccc3OC)n2C[C@]2(O)CCN(C)C2)C1 1540896867 VMASRNGGXALCPL-JPYJTQIMSA-N 459.616 2.427 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC(O)(c2c(F)cccc2F)CC1 1540901731 NMAXCCJISZFMNA-UHFFFAOYSA-N 490.536 2.102 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)c2ccc(C)cc2)CC1 1540902182 CIZDFILZKYAVIZ-NRFANRHFSA-N 487.626 2.044 30 10 JEEE Cc1csc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3ccccc3C#N)CC2)n1 1542865673 FOXCUPXHJNVWST-UHFFFAOYSA-N 450.572 2.428 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)C)n2CCCN2CCC[C@@H]2C(=O)N(C)C)c1 1587683350 IFOKLNHESHOIRY-JOCHJYFZSA-N 479.629 2.400 30 10 JEEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1CC1(N2CCOCC2)CCCCC1 1588088984 DVKCPFFZGZXBOM-RUZDIDTESA-N 455.603 2.038 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H]2CCC[C@@H](O)C2)CC1 1588899189 MHXSGMDTPQUJPC-GHTZIAJQSA-N 481.597 2.479 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(OC(C)C)cc2)CC1 1588924186 WUUHZHLJSPGBCX-UHFFFAOYSA-N 461.570 2.480 30 10 JEEE C=C(C)COCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@H](COC(C)C)C1 1593735921 UMQNQSZQTHQIHR-IBGZPJMESA-N 482.585 2.415 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCOC[C@H]1C 1595115496 JPGRDYBOTHNEST-TZIWHRDSSA-N 459.616 2.094 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1595577125 JPKAKEYIIODNOQ-LEWJYISDSA-N 455.559 2.160 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1595784370 DWWHFZXHSQGYTD-UHFFFAOYSA-N 472.615 2.170 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@H](c2cnn(C)c2)C1 1595805780 UPTFRYHFMJDXHN-INIZCTEOSA-N 476.553 2.475 30 10 JEEE CO[C@H]1CCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(OCC(N)=O)CC1 1619490485 BWTWLFRLGOCQOP-RXVVDRJESA-N 468.558 2.015 30 10 JEEE C#CCONC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1 1632677792 AQEOKCUYYBBMBX-UHFFFAOYSA-N 451.907 2.285 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1c(C)nn(C)c1C 1649540464 WVCDNESLEHZBQL-CQSZACIVSA-N 454.604 2.403 30 10 JEEE C#Cc1cccc(NC(=O)NC(=O)CN2CCNC(=O)[C@@H]2c2cccc(Br)c2)c1 1652914706 IHOGVPMKMNZNQG-IBGZPJMESA-N 455.312 2.252 30 10 JEEE C#CCN([C@H]1CCOc2ccc(Br)cc21)S(=O)(=O)N=[S@](C)(=O)N(C)C 1661574808 RYKNLWCXUMNSPT-BSEYFRJRSA-N 450.380 2.027 30 10 JEEE C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CN(Cc3ccccc3)CC[C@@H]2CO)cc1 1676356089 CGNGGZBEEHZURN-SFGWALBWSA-N 456.568 2.377 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H](C)Sc1ccccc1)[C@H]1CCS(=O)(=O)C1 1689978444 VVDVYASNCRITHI-MSOLQXFVSA-N 475.640 2.224 30 10 JEEE C#CCN(c1nnc([C@@H](CC)c2ccccc2)n1CCCc1cnn(C)n1)[C@@H]1CCS(=O)(=O)C1 1689979523 CPLIOLKUNIKXEL-YADHBBJMSA-N 481.626 2.208 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@](C)(O)[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1689982593 QJCGBAIGASXLJL-NYDSKATKSA-N 455.584 2.241 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1CCC1CCN(CC)CC1)[C@@H]1CCS(=O)(=O)C1 1689986313 NCTGVWOZYPHPMF-HXUWFJFHSA-N 456.616 2.089 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CCc1nc(C)c(C)s1)[C@@H]1CCS(=O)(=O)C1 1689994056 PXAUPTMRNFBAHD-LJQANCHMSA-N 470.624 2.207 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCc1c[nH]nc1C 1690013383 MHLMSIWLVURLCC-UHFFFAOYSA-N 454.538 2.412 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccn3C)n2Cc2ccc(OCCCN(C)C)cc2)CC1 1690120531 XVHNKIKGRDAHCW-UHFFFAOYSA-N 461.614 2.418 30 10 JEEE C#CCN1CCN(c2nnc(-c3noc4c3COCC4)n2C[C@@H](C)CN(C)C(=O)OC(C)(C)C)CC1 1690122210 KLWBPBRZFNRFTO-SFHVURJKSA-N 499.616 2.264 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3CC)n2C[C@H]2NC(=O)CC2(C)C)CC1 1690133801 UQHXQYJNDPNMII-OAQYLSRUSA-N 450.587 2.089 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2CCOCCCO)CC1 1690139688 XOLWHNRZGLPASK-GOSISDBHSA-N 485.654 2.496 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)CC1 1690144207 PMNJISBWBHOAJA-NRFANRHFSA-N 480.588 2.385 30 10 JEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 1690154733 YACBVMOBQWACDX-UHFFFAOYSA-N 472.659 2.355 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1690248843 QJJQTEMPAQMADA-VWPQPMDRSA-N 495.690 2.479 30 10 JEEE C=C(Cl)Cn1c(C2CCC2)nnc1N1C[C@@H]2[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1690342158 BXSWUYMCTKCYMV-OWCLPIDISA-N 472.011 2.425 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1690433077 SFLMAJUIKFHZTO-IAGOWNOFSA-N 458.650 2.186 30 10 JEEE C=CCS(=O)(=O)CCn1c(Nc2cnn(C)c2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1690731146 AWSGIRLZXSVHPN-GASCZTMLSA-N 465.580 2.127 30 10 JEEE COCC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(Cn2cncn2)CC1 1697925745 AIQJVXVBEGDDSF-HSZRJFAPSA-N 450.547 2.112 30 10 JEEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCC(CC#N)CC3)n2Cc2cc(F)ccc2F)C1 1698312166 BWKQCBXWZANTLL-LJQANCHMSA-N 480.541 2.068 30 10 JEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(OC[C@H]2CCCCO2)CC1 1705532618 PFRCFFMHAAYWIY-UYAOXDASSA-N 450.605 2.148 30 10 JEEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](CC)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1705565885 KEDKXSMWVRMSCF-RLLQIKCJSA-N 455.584 2.050 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CCc1nccs1)[C@H]1CCS(=O)(=O)C1 1705570543 OKUFLIVZYDVPLX-HNNXBMFYSA-N 477.562 2.473 30 10 JEEE C#CCN(CC#C)c1nnc(C2(c3ccccc3)CCC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1705574520 GGEIXGZYZBUQCL-FQEVSTJZSA-N 451.596 2.102 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCO2)n1C[C@H]1CC(=O)N(CCOC)C1 1705621234 WTEFWIFQQIGLFR-PZJWPPBQSA-N 455.534 2.403 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC(C)(C)N2CCOCC2)CC1 1705633528 SFQQZXHMQXSCSW-FQEVSTJZSA-N 470.593 2.423 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CCS(=O)(=O)CC=C)CC1 1705635829 MRGIZJAISYNWQF-UHFFFAOYSA-N 492.443 2.372 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@H](C)CN2CCOCC2)CC1 1705636510 NCAVGZNKCWVGLT-JOCHJYFZSA-N 496.656 2.464 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1705636640 RTSFRKJUBQZEPZ-QGZVFWFLSA-N 497.452 2.431 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)NCc1ccco1 1705674612 MWNRXVPPCKJBJZ-KBMIEXCESA-N 498.584 2.488 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCSC2(CCCCC2)C1 1705894748 JTBAGTODTZNYBK-UHFFFAOYSA-N 455.588 2.484 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 1705899014 FURIFDDSJSDYAR-XUZZJYLKSA-N 487.612 2.372 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N(CCS(C)(=O)=O)C1CC1 1705903707 RCKFAXLLTKSLIL-UHFFFAOYSA-N 455.943 2.053 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2NC(=O)CC2(C)C)C1 1705929268 MVZBGFUFEDTYCG-UXHICEINSA-N 450.543 2.425 30 10 JEEE COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1 1712453928 DGYRUVJZRVIHCR-VAMGGRTRSA-N 480.679 2.303 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(C)(C)C(=O)NCC 1722295727 LICSHWRTQWZLPP-SJORKVTESA-N 462.595 2.207 30 10 JEEE C#CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(=O)NCc1ccco1 1722352452 QXMXTDOUDJJAQY-QGZVFWFLSA-N 456.547 2.371 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCNc2ncc(Cl)cc2Cl)CC1 1722428764 AAWUJNBMMLVGAS-UHFFFAOYSA-N 477.400 2.083 30 10 JEEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCC2(O)CCOCC2)CC1 1722442380 ZCEAFGDMSJASTD-UHFFFAOYSA-N 453.587 2.161 30 10 JEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@](O)(Cc2cccc(Cl)c2)C1 1722458455 JYYCHLLDHFSWEE-GCJKJVERSA-N 460.003 2.433 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1CCC(NC(C)=O)CC1 1722588171 MDXHSCZBKCQFPG-SOAGJPPSSA-N 496.678 2.097 30 10 JEEE C=CCCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1722613653 LOASFKHLGLKBSH-PMACEKPBSA-N 454.623 2.271 30 10 JEEE C=CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1CCCCS1(=O)=O 1722631022 AMXOYEQAQVIDOH-KRWDZBQOSA-N 451.980 2.451 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1722692086 WLTNCOSGRILYKR-OTWHNJEPSA-N 452.559 2.052 30 10 JEEE C#CCCCCn1c(-c2cnccn2)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1740570138 BCBYQOBBRFNSAT-UHFFFAOYSA-N 465.583 2.358 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)c1nc(-c2ccccc2)no1 1740657629 UPSBXKXPSQTQBP-UYAOXDASSA-N 478.578 2.497 30 10 JEEE C#CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1CCCN1CC 1740680015 OSKFGKBLYBDWQQ-LJQANCHMSA-N 473.647 2.117 30 10 JEEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(c2ncccn2)CC1 1740738527 IXDRVHSQDPIQIC-OAHLLOKOSA-N 452.357 2.027 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCS[C@@H](C(C)C)C1 1740750426 BTPGYBUZXBAEII-MLHJIOFPSA-N 457.666 2.447 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccc2OC)nnc1N1CCC(OCC(N)=O)CC1 1740756502 HWBKZNOFCBDGHH-VGOFRKELSA-N 455.559 2.406 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1 1740851341 TWODYQILHAGWJG-GOSISDBHSA-N 450.609 2.343 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cnn(C)c2)n1CCC(=O)N1CCOCC1 1740915915 XNAQXTGFUKCERD-UHFFFAOYSA-N 465.558 2.129 30 10 JEEE C=CCN(Cc1cccs1)c1nnc(-c2ccc3c(c2)OCO3)n1CCNS(C)(=O)=O 1740922469 IPPPHXPIYYDDTM-UHFFFAOYSA-N 461.569 2.477 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCCC(=O)N(C)C)C1 1740979241 IFIKGZXLMUQYJZ-INIZCTEOSA-N 451.531 2.244 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](OC)c2ccc(F)cc2)C1 1740980086 HSJZOJAXWKQESM-RLLQIKCJSA-N 464.563 2.488 30 10 JEEE C[C@]1(C#N)CCCN(c2nnc(Cc3ccccc3F)n2CCNS(=O)(=O)Cc2ccon2)C1 1741983042 DPURYXBCQFTFJZ-JOCHJYFZSA-N 487.561 2.246 30 10 JEEE C#CCCCn1c(Cc2c(F)cccc2F)nnc1N1CCC(NS(=O)(=O)CC)CC1 1748753589 NZSIWODXJRZDKC-UHFFFAOYSA-N 451.543 2.469 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CCc1cc(F)cc(F)c1)[C@@H]1CCS(=O)(=O)C1 1748819437 OQWBBKKZJNYIEG-OAQYLSRUSA-N 471.533 2.412 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1CCOCC1 1748891769 FSRJJBZOOMKWDL-FQEVSTJZSA-N 457.575 2.476 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1749136629 PVJWFKJVAZGBOX-PXNSSMCTSA-N 498.550 2.277 30 10 JEEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1749216140 KKIXGULIAZTBJW-FQEVSTJZSA-N 489.642 2.100 30 10 JEEE COCC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1749606012 GJRMBGHWXGFURF-PXDATVDWSA-N 466.586 2.347 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCC(N2CCCCC2=O)CC1 1749672101 QFEXOQCMBWOKMS-UHFFFAOYSA-N 450.587 2.461 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 1749676674 YVQAXQCEIVHQLM-UHFFFAOYSA-N 465.533 2.040 30 10 JEEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1749676907 HOLAOIRQXALRGZ-UHFFFAOYSA-N 450.587 2.347 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN(Cc2cccc(F)c2)CC1 1749729513 MEMUUSSSXFPXTC-UHFFFAOYSA-N 472.590 2.346 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 1749732175 RGODZFLIVRNKEI-UHFFFAOYSA-N 452.602 2.186 30 10 JEEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(c2nccs2)CC1 1749755049 CVSDELHKMIUBSG-KRWDZBQOSA-N 498.700 2.371 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(C)cc1F)[C@H]1CCS(=O)(=O)C1 1760180513 GPSATKPQWCNKJC-CVDCTZTESA-N 476.574 2.053 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@H](C)c1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1760182835 MXQULVOLNQWCMD-HNAYVOBHSA-N 490.630 2.232 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H](C)N1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1760190868 VNDWXRHKQWIMGY-IFMALSPDSA-N 470.643 2.011 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3CC)n2C[C@H]2CCOC2)CC1 1760272860 BAJMROZRUQCWKE-LJQANCHMSA-N 451.571 2.422 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@H]2[C@@H](C)CCN2C(=O)OC(C)(C)C)CC1 1760273072 HNHCTEWAXVFPOL-ICSRJNTNSA-N 488.633 2.426 30 10 JEEE C#CCSCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1760274331 MRKOEWJXBRZJEN-QGZVFWFLSA-N 456.597 2.325 30 10 JEEE C#CCSCCn1c(COc2ccccc2OC)nnc1N1CCN(c2cccnn2)CC1 1760285930 VWQDLPALDIINGR-UHFFFAOYSA-N 465.583 2.349 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1760338208 ZPPNWERXPXTDMT-SJORKVTESA-N 479.569 2.236 30 10 JEEE C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC(CNS(C)(=O)=O)CC1 1760342465 MTQJPLPXFYHQPI-UHFFFAOYSA-N 471.425 2.388 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H](COC(C)C)C1 1760553003 IZBQXPGBGXXCSE-KRWDZBQOSA-N 469.995 2.225 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2C[C@@H](O)CC3(CCCC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1760558299 LQTPHXPEVRRORC-CVDCTZTESA-N 482.647 2.051 30 10 JEEE CCOc1cc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)ccc1OC 1765963983 BQJLNXDWYDSNQC-GOSISDBHSA-N 459.572 2.376 30 10 JEEE CCS(=O)(=O)N(C)CCCn1c(CSc2ccc(C)cc2)nnc1N1CCO[C@@H](C#N)C1 1768272792 FBFMWDRPUFDJER-SFHVURJKSA-N 478.644 2.279 30 10 JEEE COc1ccc(CCN2C[C@@H](C(=O)Nc3c(C#N)nnn3-c3ccc(F)cc3)CC2=O)cc1OC 1870150019 VXAPLODOFQFSLQ-INIZCTEOSA-N 478.484 2.325 30 10 JEEE C#CCOc1cn(CCc2ccc(S(N)(=O)=O)cc2)c(CNc2cccc(N(C)C)c2)cc1=O 1871008985 XUFBGDHNOXNHJZ-UHFFFAOYSA-N 480.590 2.429 30 10 JEEE C=CCn1c(C(=O)N2CCN(C(=O)OCC)CC2)cc2c(NCCCCCCO)ncnc21 1875232633 RPTMUQSSQAOGMF-UHFFFAOYSA-N 458.563 2.496 30 10 JEEE N#CC12COC(CS(=O)(=O)C[C@@H](NC(=O)OCC3c4ccccc4-c4ccccc43)C(=O)O)(C1)C2 2074678493 PREIRRZPSUFXOH-BURHJUHKSA-N 496.541 2.466 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)O 2123817246 WXRGIMMCQCWVQH-CVEARBPZSA-N 468.551 2.496 30 10 JEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H]1C[C@H]1NC(=O)OC(C)(C)C 2247876325 NAPFQGYUJQZGAQ-CHWSQXEVSA-N 458.411 2.300 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@H](NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2247880276 DIEIBACVCSWJIO-HDJSIYSDSA-N 458.411 2.381 30 10 JEEE CC(C)(C)OC(=O)NC1(CNS(=O)(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)CC1 2255951013 XUHISTUTORXLEL-UHFFFAOYSA-N 452.382 2.321 30 10 JEEE C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1sccc1B1OC(C)(C)C(C)(C)O1 2256618076 OCYILFOSFSSXNN-CJNGLKHVSA-N 454.398 2.280 30 10 JEEE CC(C)[C@H](C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)[C@@H](C)NC(=O)OC(C)(C)C 2256623920 ILUORQQKAFOXDS-OLZOCXBDSA-N 454.402 2.383 30 10 JEEE C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1csc(B2OC(C)(C)C(C)(C)O2)c1 2256629163 QTAMBWHRRGVEKJ-CZUORRHYSA-N 454.398 2.280 30 10 JEEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CN(C(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)CCO1 2267015583 QEKLKFZRNKUZSL-ZBFHGGJFSA-N 450.341 2.333 30 10 JEEE CN(C[C@]1(O)CCN(Cc2ccccc2)C1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2267155005 NPFJEKDDKMHPHK-HSZRJFAPSA-N 457.405 2.151 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2[C@H](NC(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)s3)CO[C@H]2C1 2267286799 RCBJTFXGAOQQBQ-ZNMIVQPWSA-N 464.393 2.411 30 10 JEEE CCN(C(=O)OC(C)(C)C)[C@@H](C)CNS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2267358927 HEJRTQGLRBCNEW-HNNXBMFYSA-N 469.413 2.305 30 10 JEEE CC1(C)OB(c2csc(S(=O)(=O)N3CCC[C@H](CNC(=O)C(F)(F)F)C3)c2)OC1(C)C 2267370775 QPAIKBLZUWMRHL-GFCCVEGCSA-N 482.355 2.127 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@H](CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)C1 2267552854 KDEAIQKTQKBGFD-OAHLLOKOSA-N 450.341 2.192 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](CNC(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)CO1 2267558935 JCQXFWNEFQWLBD-CABCVRRESA-N 450.341 2.238 30 10 JEEE COC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1OC 2268669820 PWVXHFMQCZRZTK-INIZCTEOSA-N 450.341 2.473 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NC[C@@H]2[C@H](OC)[C@@H](OC)CN2C(=O)OC(C)(C)C)C1 2281273876 YQLRMYMHNVQNMV-KAXNOHOASA-N 481.590 2.059 30 10 JEEE CC(C)(C)OC(=O)N1CCn2[nH]c(=NC(=O)c3coc(B4OC(C)(C)C(C)(C)O4)c3)cc2C1 2281822985 CNTXMFQMQKKNQQ-UHFFFAOYSA-N 458.324 2.200 30 10 JEEE C[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1nn(C)c(Cl)c1B1OC(C)(C)C(C)(C)O1 2282036642 LQQRBKXOVYEHJW-MNOVXSKESA-N 478.708 2.044 30 10 JEEE CCn1cc(C(=O)N2CC3CC2(CNC(=O)OC(C)(C)C)C3)nc1B1OC(C)(C)C(C)(C)O1 2282039075 QEQAXJJQIMDIDZ-UHFFFAOYSA-N 460.384 2.332 30 10 JEEE CC1(C)OB(c2ccoc2C(=O)N2CC[C@@](CNC(=O)C(F)(F)F)(C3CC3)C2)OC1(C)C 2282045528 YDVZMTCJXFARTF-FQEVSTJZSA-N 456.270 2.500 30 10 JEEE C[C@H]1CN(C(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)C[C@H]1CCNC(=O)OC(C)(C)C 2282049392 YIRGHKQZCZRVNQ-JKSUJKDBSA-N 462.400 2.342 30 10 JEEE Cn1cc(C(=O)N2CCC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)nc1B1OC(C)(C)C(C)(C)O1 2282050299 ACVYCOOHDGMVJU-NVXWUHKLSA-N 460.384 2.191 30 10 JEEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)C2 2282176530 ACXHQGYQBLWCSU-MUJYYYPQSA-N 458.368 2.436 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC[C@@]1(C)CCCN1Cc1ccccc1 2282330622 BUILTNQYMMXNFM-HSZRJFAPSA-N 474.436 2.052 30 10 JEEE CC(C)(C)OC(=O)NC1CC(O)(CNC(=O)c2ccc(F)c(B3OC(C)(C)C(C)(C)O3)c2)C1 2282463797 FKXDFGFRMVZUNX-UHFFFAOYSA-N 464.343 2.273 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N[C@@H]2CCCCN(Cc3ccccc3)C2)n1 2282509117 GRRJYBFCVQFSNK-LJQANCHMSA-N 474.436 2.052 30 10 JEEE C[C@@H]1CN(C(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)C[C@@]1(C)CNC(=O)OC(C)(C)C 2282578590 UBKUHDZYSSMZSF-IQMFZBJNSA-N 462.400 2.342 30 10 JEEE Cn1nc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)[C@@H]3CCC[C@H]23)cc1B1OC(C)(C)C(C)(C)O1 2282614959 LRVDTEMKIAJEBL-DJIMGWMZSA-N 460.384 2.237 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2CN(C(=O)c3ncc(B4OC(C)(C)C(C)(C)O4)cn3)C[C@H]21 2282625168 RPIVKWNEGJLDOS-DJIMGWMZSA-N 458.368 2.151 30 10 JEEE CON(C1CN(C(=O)OC(C)(C)C)C1)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1C 2282837286 SXKXUQSKPYQSBX-UHFFFAOYSA-N 482.408 2.466 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCCC12CN(C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)C2 2283060855 KDHKICFUTPYFEG-OAHLLOKOSA-N 458.368 2.295 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCOCC[C@@H]1C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2284022583 LIRXFKGQNZEXFO-JKSUJKDBSA-N 481.424 2.378 30 10 JEEE Cc1ccc(CNC(=O)CN2CC(NC(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2296178087 IRRKUAFLFBXYBS-UHFFFAOYSA-N 459.396 2.119 30 10 JEEE COc1ccc(OC)c([C@H]2C(=C(O)c3c(C)nn(C)c3C)C(=O)C(=O)N2CCCN(C)C)c1 2296613064 SWKFCJMAEMCTCR-NRFANRHFSA-N 456.543 2.428 30 10 JEEE COc1cc(C=Nn2c(Cc3ccccc3[N+](=O)[O-])nnc2SCC(N)=O)cc(OC)c1OC 2328468677 CINSBJSCTVMEFK-UHFFFAOYSA-N 486.510 2.263 30 10 JEEE COc1[nH]c(=N[C@@H]2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2365346615 WQHKQOQLNJXCLV-HZPDHXFCSA-N 463.384 2.296 30 10 JEEE Cc1cccc(C)c1-n1c(=O)/c(=C\c2ccccc2Br)s/c1=C(\C#N)C(N)=O 12566918 GELCWFWQVZCKQH-JAVITUPBSA-N 454.349 2.267 30 10 JEEE COc1ccc(CNC(=O)CSc2n[nH]c(N/N=C/c3cnn(C(C)C)c3)n2)cc1OC 20910213 COZGGMDIYJOWFW-LSFURLLWSA-N 458.548 2.454 30 10 JEEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2c(Cl)cc(Br)cc2Cl)CC1 23818560 UEPCPSXZMRIQQZ-UHFFFAOYSA-N 471.204 2.364 30 10 JEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NC[C@H](c2ccco2)N2CCCC2)CC1 27358584 BORFHBOLUIVOLF-LJQANCHMSA-N 457.556 2.004 30 10 JEEE C=CCN1CCN(C(=O)c2ccc(CN(CCN3CCOCC3)Cc3ccc4c(c3)OCO4)o2)CC1 34682439 FRIRZKUQLTXDLC-UHFFFAOYSA-N 496.608 2.287 30 10 JEEE COCCn1cc(/C=N/Nc2nnc(SCC(=O)c3ccc(Br)cc3)n2N)cn1 59914018 FACOTAJPEYJBHX-DNTJNYDQSA-N 479.364 2.018 30 10 JEEE CO/N=[N+](\[O-])CC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)[C@H]1c1ccc(N(C)C)cc1 103936627 YTJSMEWCPHXUOM-OUJYPELJSA-N 461.544 2.117 30 10 JEEE NS(=O)(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2ccccn2)cc1 170353283 OAQRIRVYTMOORJ-NRFANRHFSA-N 493.497 2.283 30 10 JEEE N#Cc1nccnc1O[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(c3cccc(Br)c3)C2)C1 219935615 WZCXWKWTUDFYNI-CZUORRHYSA-N 456.300 2.144 30 10 JEEE COc1ccc(OC)c(-n2c(=C(C#N)C(=O)Nc3ccccn3)sc(=Cc3ccccc3)c2=O)c1 523257656 DVFBWBPBNTWQEM-UHFFFAOYSA-N 484.537 2.453 30 10 JEEE CC(C)CCCN1C(=O)[C@H](CC(=O)NC2CC2)S/C1=N\Cc1ccc(S(N)(=O)=O)cc1 726403936 PADCPMWKCGMIEL-NKWDDMGQSA-N 466.629 2.239 30 10 JEEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@@H](Oc3ccnc(CN(C)CC)c3)C2)c1 856640892 JOKYUXNPMOBXFS-OAQYLSRUSA-N 458.584 2.291 30 10 JEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)OCC(=O)N3CCO[C@@H]4CCCC[C@H]43)nnc12 918817259 DERXRMIFLRMFNS-RTBURBONSA-N 497.577 2.036 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H]2C[C@H](OC(C)(C)C)[C@H]2n2cccn2)ccc1F 1128982912 NNMZGSQPVQADIC-AOIWGVFYSA-N 450.536 2.414 30 10 JEEE C=C[C@H](C)ONC(=O)C1CCN(c2ccc(S(=O)(=O)N(CC)CC)cc2[N+](=O)[O-])CC1 1164415087 WPGDYYWTSGBJRM-HNNXBMFYSA-N 454.549 2.464 30 10 JEEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N2CC[C@@H](O)[C@@H](O)C2)c1 1171680651 MFHCHLPLFCUSMC-UXHICEINSA-N 450.944 2.289 30 10 JEEE C#Cc1cccc(NC(=O)CNS(=O)(=O)C2CCN(C(=O)OCc3ccccc3)CC2)c1 1208443208 SMIARCJSVYBBFQ-UHFFFAOYSA-N 455.536 2.327 30 10 JEEE C#Cc1ccc(CNC(=O)NC2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)cc1 1228413027 NHDBOMXPYNTTLT-UHFFFAOYSA-N 457.552 2.338 30 10 JEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(OC)cc1 1286322062 CKWCJVKEYXQOOL-FQEVSTJZSA-N 461.588 2.060 30 10 JEEE C#CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1C[C@H](C)O[C@@H](COC)C1 1286337509 JXWIMRWTCFSXLZ-FUHWJXTLSA-N 460.604 2.200 30 10 JEEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCS(=O)(=O)Cc1ccccc1 1286374345 MDIDFKAGMNNZEG-UHFFFAOYSA-N 479.610 2.137 30 10 JEEE C#CCN(c1nnc(-c2ccccc2)n1C[C@H](c1ccco1)N(C)C)[C@H]1CCS(=O)(=O)C1 1286387980 JMOQMLKBHTYCHC-VQTJNVASSA-N 453.568 2.468 30 10 JEEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccccc1CN1CCC[C@H]1CO 1286435817 KCEFQQJVUFZAJV-QFIPXVFZSA-N 473.581 2.390 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCN(c2ccccc2OC)C1 1286446801 HWICCAONISUCLB-OALUTQOASA-N 457.600 2.175 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCCN2C[C@H](C)O[C@@H](C)C2)CC1 1286474627 NWXAHMCHHTXWEO-SFTDATJTSA-N 482.629 2.217 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1286566116 MBYFIIRGCYWNIS-VGSWGCGISA-N 470.574 2.338 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1286794133 XQSGQDKNQYDQRQ-XSYGEPLQSA-N 492.621 2.044 30 10 JEEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1CCN1CCCCC1 1288735188 ATSAZUZZCSOPBQ-SFHVURJKSA-N 460.604 2.084 30 10 JEEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C 1300446200 ISSBBOAYLOPIBR-QGZVFWFLSA-N 465.562 2.493 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@H](C)c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1300487679 LCZPPLWDOZRLLI-OXJNMPFZSA-N 456.547 2.248 30 10 JEEE C#CCN(c1nnc(CCOc2ccccc2)n1CCC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1300502886 ZFMAJPHXTDCWCF-NRFANRHFSA-N 472.611 2.343 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@H]1CCCN1CC)[C@H]1CCS(=O)(=O)C1 1300504750 RLJFMJRPUNZTGI-RTWAWAEBSA-N 471.627 2.277 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCSc1nccs1)[C@@H]1CCS(=O)(=O)C1 1300506319 QMLNDXPXFZRYNE-HZPDHXFCSA-N 467.642 2.395 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCn1c(C)nc2ccccc21 1300671761 OQRKCRVQIAXGNP-LJQANCHMSA-N 470.599 2.015 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@](C)(O)C2CC2)CC1 1300700785 WKFCUOGZQWUVBV-UQBPGWFLSA-N 472.634 2.309 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCCn2ccnc2C)CC1 1300707187 BMJWWMNEOMZNPE-UHFFFAOYSA-N 458.570 2.469 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C 1300780478 QXYHSJFPGWIZBD-HYFFOGBASA-N 482.651 2.430 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C(=O)COC)CC1 1300890533 HDUUOFAOGRJRTK-BWKNWUBXSA-N 483.613 2.348 30 10 JEEE COCC1(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCO[C@@H](C#N)C2)CCOCC1 1301124223 FIZSNJDYPPWTEY-HNNXBMFYSA-N 465.352 2.208 30 10 JEEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1301260231 YICZMLRXKZEETK-OAQYLSRUSA-N 450.543 2.443 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1301483185 JVPPGCPNBVKFCZ-BXKMTCNYSA-N 471.558 2.039 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2(O)CCN(C(C)C)CC2)C1 1301566402 NGNJFBSGQZMEPY-NRFANRHFSA-N 457.623 2.156 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCC(Nc2cccnn2)CC1 1301577844 OPHIHOAXPLMKBR-UHFFFAOYSA-N 483.598 2.425 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CC=C(C(F)(F)F)CC1 1301592684 CBKYLHDWNJTDGI-UHFFFAOYSA-N 458.510 2.439 30 10 JEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1301611859 HOHSJGHOAUNJHW-SFHVURJKSA-N 493.655 2.272 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1CCCc1nc(C)no1)[C@@H]1CCS(=O)(=O)C1 1358967395 JPSAEXVWIIXJSU-HXUWFJFHSA-N 498.609 2.425 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc(OC)nc1 1358991710 LTRMWFCLMYMQQH-UHFFFAOYSA-N 463.567 2.153 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2CCc2cccc(C(=O)N(C)C)c2)CC1 1359044299 BMQHMQGYUBVBQW-UHFFFAOYSA-N 462.598 2.456 30 10 JEEE C=C(Br)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1359080608 XXPKWTBUEFAREJ-HUUCEWRRSA-N 481.347 2.231 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1359107587 PWAUHYFDHMMPAW-WIYYLYMNSA-N 455.625 2.003 30 10 JEEE C=C(Cl)Cn1c(-c2ccccc2Cl)nnc1N1CCN(CC(=O)NCCOC)CC1 1359147552 KKOYPODZVDZVIO-UHFFFAOYSA-N 453.374 2.236 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC1=CCc2ccc(OC)cc21 1359240093 FXGNELBYATXZFB-NRFANRHFSA-N 473.599 2.272 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)OC)CC1)C(C)C 1359264658 LLWCOFUDMWEYCM-HXUWFJFHSA-N 473.622 2.101 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(Cl)=C(Cl)C1 1359298766 LCGXKFMJUQDKCO-UHFFFAOYSA-N 474.352 2.394 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1359330967 IIQQLIMTQFZCRR-LJQANCHMSA-N 470.603 2.299 30 10 JEEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@H]1CCCc2c1cnn2C 1359337058 IZJYPTMDPBUABI-ZBFHGGJFSA-N 453.638 2.055 30 10 JEEE C=CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1359338619 BSAIVKWKRVWQJD-UHFFFAOYSA-N 465.627 2.480 30 10 JEEE C=CCn1c(S)nc2cc(C(=O)NCCOc3ccc(S(C)(=O)=O)cc3)ccc2c1=O 1472505955 GDNXDFVNTNKLFV-UHFFFAOYSA-N 459.549 2.084 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(CN2CCCCC2)cc1 1507517721 RHNLZBMNJRMTIY-RBUKOAKNSA-N 458.632 2.380 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1c(F)cc(F)c(F)c1F 1507669051 GTAVMNVZNCYXHL-CYBMUJFWSA-N 454.449 2.248 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2c(c1)[C@@H](C)[C@H](C)O2 1507671725 OXSGPYQMGBJJHU-YDHSSHFGSA-N 497.621 2.007 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H]1CCS(=O)(=O)C1 1507700321 QGBHHJBBIJUCBQ-WMZHIEFXSA-N 476.574 2.144 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1Cc1cn(C)nc1-c1ccccc1 1507703640 YNWWUMVEUWZVMT-UHFFFAOYSA-N 470.537 2.460 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCO3)n2CC2CCN(C(=O)OC)CC2)n1 1507715939 DUERJNXUOAJMGG-OAQYLSRUSA-N 485.589 2.091 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCCn2c(C)nc3ccccc32)CC1 1507734356 WEITXAARYOWZQT-UHFFFAOYSA-N 490.612 2.131 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@H](C)C1 1507800877 YZXSKNQANSVMBE-YRPNKDGESA-N 467.636 2.219 30 10 JEEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)c2ccccn2)CC1 1508059403 SXFGWAMXZVKRCG-LJQANCHMSA-N 483.573 2.130 30 10 JEEE C=CCn1c(N2C[C@@H](N3CCN(C(C)=O)CC3)[C@H](C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1508066270 NJIBEYYHRWVXRJ-AYWYSENESA-N 487.649 2.224 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC(OCc2ccccc2F)CC1 1508079670 CEVQPKSJYGMRBZ-UHFFFAOYSA-N 453.522 2.306 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cnccn3)n2Cc2cccc(OCC(=O)N(C)C)c2)C1 1508117823 OKMYWELGULWWTM-FQEVSTJZSA-N 463.542 2.032 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N(C)CC1COC(C)(C)OC1 1508137646 OXCYXGAQBIIIJR-UHFFFAOYSA-N 464.588 2.390 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3noc4c3COCC4)n2C[C@](C)(O)C(C)C)c1 1539040157 NSTBANFTJCCDTA-VWLOTQADSA-N 478.553 2.469 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@H](C)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1539206545 RCQOYNBOBHDWOQ-DOTOQJQBSA-N 497.463 2.393 30 10 JEEE C#CCN(CC#CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCc1nccnc1C 1539330862 CPILODLBEZCJRQ-UHFFFAOYSA-N 482.636 2.447 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(-c2ccsc2)nc1 1539369463 LKUSFYAWCRTVTI-FQEVSTJZSA-N 486.623 2.242 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H](c2cccs2)N2CCOCC2)CC1 1539428080 MSXPAPLHBRJVSJ-OAQYLSRUSA-N 499.685 2.087 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2C[C@@H]2CCCN2c2cc(NC)ncn2)CC1 1539467351 RVDJXDKTDAVWLJ-IBGZPJMESA-N 479.633 2.042 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cccc(C#N)c1 1539617894 ZGIJSFSWBIDKFR-AHRSYUTCSA-N 458.588 2.378 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1539624280 RLYRFZIFQLEUHR-LPHOPBHVSA-N 481.022 2.493 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1540875267 GBOTUJNHHPSEQL-MRXNPFEDSA-N 472.977 2.308 30 10 JEEE Cc1c(C)c(C)c(S(=O)(=O)N2CCN(S(=O)(=O)N(C)[C@@H](C)CC#N)CC2)c(C)c1C 1561081481 FBSVFWVVDLVSER-AWEZNQCLSA-N 456.634 2.014 30 10 JEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1587822874 DLWBXMYJWYOEJF-VQTJNVASSA-N 457.600 2.472 30 10 JEEE C#CCN(CC#C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCN1CCCS1(=O)=O 1588083820 KEVVQCRAPHSGNP-KRWDZBQOSA-N 461.975 2.180 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCC(=O)N[C@H](C)CC 1588127964 AFYSHQHCODJQHV-GOSISDBHSA-N 459.554 2.053 30 10 JEEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCC(=O)N1CCCCCC1 1588310290 XSCHQNGPOBJDQP-UHFFFAOYSA-N 471.631 2.490 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(COC)CCC1 1588628023 CLDMRPUBBSBSEE-UHFFFAOYSA-N 450.543 2.095 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CCc2cccc(C(=O)NC)c2)CC1 1588885898 ZZMSVKZYDPWOOI-UHFFFAOYSA-N 450.587 2.144 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](c2ccnn2C)C1 1588975993 OPDSMBNJUAVOQS-KRWDZBQOSA-N 450.572 2.409 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1CCCS(=O)(=O)c1ccccc1 1589134933 RJQCORSGJLIJFW-HSZRJFAPSA-N 455.584 2.370 30 10 JEEE C=C(Cl)Cn1c(N2CCN([C@H](C)C(=O)N3CCCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1593933043 USXARPFANYGIJY-AUSIDOKSSA-N 481.041 2.204 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cnn(CC)c1 1595302614 BTJXHKWMSVHFCM-IBGZPJMESA-N 475.594 2.490 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl 1595784965 PEHWLNIPDAUOEC-PBHICJAKSA-N 459.403 2.300 30 10 JEEE CC(=O)N1CCN(CCn2c(-c3ccc(C#N)cc3)nnc2N(C)CCOC(C)(C)C)CC1 1596282193 GEPVQAPDCQECFK-UHFFFAOYSA-N 453.591 2.232 30 10 JEEE CC(C)C(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2(S(C)(=O)=O)CC2)CC1 1597922962 BYIJATXZKHQJIZ-UHFFFAOYSA-N 470.599 2.089 30 10 JEEE CCC[C@@](C)(O)Cn1c(Cc2cccnc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1614339808 ATBJASMMNXJVKB-XMMPIXPASA-N 463.590 2.055 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@H]2CCCN(S(=O)(=O)c3cncc(C#N)c3)C2)C1 1622321727 CUJLNETYUZURAG-SCTDSRPQSA-N 450.561 2.426 30 10 JEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@@H]1CCCCN1C(=O)OC(C)(C)C 1627139095 FJURNCIOWSDYON-RDJZCZTQSA-N 450.561 2.131 30 10 JEEE C=C[C@@](C)(O)CC(=O)N1C[C@@H]2OC(=O)N(C3CCN(C(=O)OCc4ccccc4)CC3)[C@@H]2C1 1633894426 ADNMUTZNBHEWGK-JXALWOEJSA-N 457.527 2.146 30 10 JEEE C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)N1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 1654335841 ADWVQUYVSXHBMW-RXVVDRJESA-N 453.978 2.050 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@]1(N(C)C)CCSC1 1689848182 QCNCTOXPGXBTJG-HJPURHCSSA-N 451.600 2.087 30 10 JEEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC(NC(=O)COC)CC1 1689910326 CXEFQHSFXXQZRN-UHFFFAOYSA-N 472.977 2.006 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1CCOC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1689984374 OJHXEDKLGFVARX-QGZVFWFLSA-N 476.599 2.404 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1CCc1ncc(CC)s1)[C@H]1CCS(=O)(=O)C1 1689986042 HMSYDIPPFMVPJX-INIZCTEOSA-N 456.597 2.228 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC(C)(C)c1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1689991310 ZNLCYEPXHUFICT-QUCCMNQESA-N 472.611 2.395 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2Cc2ncccc2N(C)C)CC1 1690148488 IXUZJBMOCMUTPO-UHFFFAOYSA-N 475.572 2.483 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1690251479 VSIXCORVRUPUCP-OOSNJVJTSA-N 475.615 2.491 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCN1CC 1690577811 NMIRRVXAPJYQNS-UYAOXDASSA-N 494.687 2.349 30 10 JEEE CCN(c1nnc(COc2ccc(C#N)cc2)n1Cc1cc(C)no1)[C@@H]1CCS(=O)(=O)C1 1695567884 FAEONWABZADZQJ-QGZVFWFLSA-N 456.528 2.087 30 10 JEEE CCOC1CC(O)(Cn2c([C@H](C)CC)nnc2N2CCN(c3nccnc3C#N)C[C@H]2C)C1 1696194218 GYPXVUICKYJNIT-MLTOCSBZSA-N 454.579 2.098 30 10 JEEE COCCN(CCC#N)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1698062400 AMGLNKXSVOPIRT-LJQANCHMSA-N 489.621 2.414 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCn1cc([C@@H]2CCOC2)cn1 1705494589 CDFFPMWSOGMQPD-QKNQBKEWSA-N 499.616 2.445 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CC1(N(C)C)CCC1)[C@@H]1CCS(=O)(=O)C1 1705562366 AUUMUOLMCPEJER-LJQANCHMSA-N 457.600 2.065 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CC[C@H](C)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 1705570140 NCKHUPMPEIFDPB-UNMCSNQZSA-N 470.643 2.155 30 10 JEEE C=C(Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H]1CCCOC1)c1ccccc1 1705742730 DJSZUYNPLKWHMD-PZJWPPBQSA-N 475.615 2.187 30 10 JEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2cc(F)cc(F)c2)CC1 1705819094 DCIGWRUYDRUHMW-HXUWFJFHSA-N 496.584 2.182 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1ccc(C)cc1)N(C)C)C1CC1 1705854870 PYBDDOJHRPASTA-YADHBBJMSA-N 488.658 2.377 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1COCCO1 1705884633 UPBBYTBEJWIOBN-OALUTQOASA-N 465.595 2.447 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1705934274 HQNYUROUEOJYDW-WBVHZDCISA-N 453.609 2.496 30 10 JEEE CCC[C@H](C)C(=O)NCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1709457818 CANFKXIWLNOHQR-RXVVDRJESA-N 481.601 2.418 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OCC)CCOC3)n2C[C@@](C)(O)C(C)C)c1 1722304648 BNLJWCSTPVHPHY-RPBOFIJWSA-N 469.586 2.393 30 10 JEEE C#CCN(c1nnc(C2CC2)n1Cc1cccc(C(=O)N[C@H](C)CC)c1)[C@H]1CCS(=O)(=O)C1 1722367208 KVCVHNLPWBKYCA-UTKZUKDTSA-N 469.611 2.359 30 10 JEEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1CC1([S@@](C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1722370313 BICVIPQPXKINOY-PSTIOWGYSA-N 490.651 2.012 30 10 JEEE C#CCN(CC#C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCN1CCCS1(=O)=O 1722373482 NWYLJLZTLHUDJE-FQEVSTJZSA-N 455.584 2.143 30 10 JEEE C#CCSCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(=O)COC)CC1 1722450906 DKSGNTWDMWGNFT-KRWDZBQOSA-N 461.563 2.219 30 10 JEEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1722481449 ZIZDWTRDRYYWBC-ZBFHGGJFSA-N 455.357 2.222 30 10 JEEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N(C)C1CCN(CCn2cccn2)CC1 1722486809 FFIJJBIBDOYZTB-UHFFFAOYSA-N 491.438 2.106 30 10 JEEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(NC(=O)C2CC2)CC1 1722494031 LURYDNSLUIGSIK-RDJZCZTQSA-N 468.396 2.406 30 10 JEEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C(=O)NCCCC)CC[C@H]1C 1722543038 KQEAMHQENQHGJW-PMPSAXMXSA-N 461.032 2.162 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](c2ccsc2)N(C)C)CC1 1722581736 LDOVOSGQZJYKQG-UXHICEINSA-N 494.687 2.378 30 10 JEEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(=O)c2cccc(F)c2)CC1 1722608368 CBFYRNDWHXZWHE-QGZVFWFLSA-N 478.594 2.346 30 10 JEEE C=CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCS(=O)(=O)C(C)(C)C 1722647483 KHYFRCJFXNCMKE-UHFFFAOYSA-N 474.675 2.478 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(c2ncccc2C#N)CC1 1722689730 YCRNZGBKFHFTHY-SFHVURJKSA-N 490.543 2.453 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)CC2CCC2)cc1 1722705019 RYVVFPLLEWYTPB-NRFANRHFSA-N 475.615 2.460 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCN2CCOC(C)(C)C2)C1 1722710633 LWZWCLLKLSRMLO-GBXCKJPGSA-N 463.623 2.211 30 10 JEEE CC1CCN(CCn2c(C(=O)NC(C)C)nnc2N2CCN(Cc3ccc(C#N)cc3)CC2)CC1 1726630518 DFBORSLDFJJZRK-UHFFFAOYSA-N 478.645 2.342 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccc(C)n3)n2CC[S@@](=O)CC)c1 1740563354 TWDMKXKCWJDCSX-YTTGMZPUSA-N 450.568 2.473 30 10 JEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(=O)N(C)Cc1ccccc1 1740601790 JIPSFOBAEXYFDE-UHFFFAOYSA-N 479.610 2.275 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@H](C)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1740626971 XFJCCDJKYRYTGR-ICSRJNTNSA-N 461.607 2.365 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1ccc(C)cc1F)[C@@H]1CCS(=O)(=O)C1 1740627187 ZAYFXMPZFYDQPP-HXUWFJFHSA-N 453.543 2.386 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CC(=O)N(c2ccccc2)C1 1740629241 GWEXKMNIOHHEPT-IBGZPJMESA-N 453.506 2.051 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(Br)cn2C)n1CCCN1CCC(O)CC1 1740646674 IBMYWUZZCQKILT-UHFFFAOYSA-N 473.419 2.356 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H]1CCC[C@@H](O)C1 1740683899 GTGUBGAUHZNKMN-RTBURBONSA-N 464.570 2.312 30 10 JEEE C=C(Br)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1740741387 UTFCOGSXFOPJTF-UHFFFAOYSA-N 475.800 2.374 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)CCC)CC1 1740762559 UWRDXGVWJOTBOB-WFXMLNOXSA-N 479.647 2.047 30 10 JEEE C=C(C)CN(CC)c1nnc(Cc2cn3ccccc3n2)n1CCS(=O)(=O)N1CCSCC1 1740776119 PTTPXLZIAODGAY-UHFFFAOYSA-N 489.671 2.298 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](COCC)C1 1740850802 KTDRYNPIKDDBGX-ROUUACIJSA-N 455.625 2.076 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1[C@H]1C[C@H](c2ccccc2F)C1 1741131901 HVCJSHHTUXGBTG-OGNFBWPZSA-N 476.578 2.465 30 10 JEEE CC(C)(O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1741256281 AUVHBZPLPZAPDC-UHFFFAOYSA-N 464.505 2.034 30 10 JEEE CC(C)N(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(N2CCCNC2=O)CC1 1741610701 BOQYWYUBDHWSRF-UHFFFAOYSA-N 480.617 2.453 30 10 JEEE CCOc1ccc(-c2nnc(N3CCC(C#N)CC3)n2CCNS(=O)(=O)CC)cc1OC 1746784947 HCEDDJHOQYFTTO-UHFFFAOYSA-N 462.576 2.032 30 10 JEEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCC(C(F)(F)F)CC1 1748791609 XISQBRJANZFXBR-UYSNPLJNSA-N 463.526 2.049 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccc(OCC(F)(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 1748817749 PSWFZAICQWDFHP-QZTJIDSGSA-N 498.527 2.398 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCc1sc(C)nc1C)[C@@H]1CCS(=O)(=O)C1 1748818019 UOIQDCHBDFCLNZ-ZWKOTPCHSA-N 463.629 2.115 30 10 JEEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1CC(=O)N(C)Cc1ccccc1 1748900674 JXYPLPROPNGIRH-UHFFFAOYSA-N 474.590 2.391 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCC[C@H](O)C2)CC1 1749003864 XYXNDEHWNXCYDV-UTKZUKDTSA-N 466.542 2.370 30 10 JEEE C#CCSCCn1c(N2CCO[C@@H](Cn3nc(C)cc3C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1749049757 QIDWUAXXURXYNA-ZJSXRUAMSA-N 488.658 2.404 30 10 JEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(C2CCCC2)CC1 1749426938 JUEKLAWUWSQOBE-FQEVSTJZSA-N 466.652 2.032 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 1749666643 OWFPVUBFOOSWBG-UHFFFAOYSA-N 463.517 2.052 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1749682980 FTRSAMRHBTZREZ-DENIHFKCSA-N 478.601 2.092 30 10 JEEE C[C@H](CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](C#N)C1)N1CCCCC1 1751109031 HFGRCKGHCQDSFH-UYAOXDASSA-N 472.615 2.342 30 10 JEEE C[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1)N(C)C1CC1 1751122306 GYYLQVHCXBTTOZ-ICSRJNTNSA-N 485.658 2.407 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCc1cnn(C)c1 1760100738 DUYTWVTWJTWAHL-MRXNPFEDSA-N 454.604 2.371 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1csc2ccccc12 1760115903 CUKBCQKPJAJUKC-MAUKXSAKSA-N 459.597 2.332 30 10 JEEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCCO[C@H](C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1760186183 BJOVSMQMEIYUHN-NRSPTQNISA-N 485.610 2.024 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccc(Cl)c3)n2Cc2ncn(C)n2)n1 1760251443 AREZPZFFWUBTRR-UHFFFAOYSA-N 465.949 2.258 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1CC[C@@H](C(F)F)N1CCOCC1 1760290746 OPJPBILEMQCTNN-NMNUPHIUSA-N 467.561 2.278 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC)nnc1N1CCN(C[C@H](O)COc2ccccc2)CC1 1760322883 YTILOIMXGRBNJS-DPLHUUCSSA-N 455.603 2.384 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1760325965 SYTFBDLFOMEUIZ-DYXWJJEUSA-N 462.620 2.134 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCN([C@@H](C)C(=O)NCCCOC)CC2)nnc1C(C)(C)C 1760326998 AUYDOVKCJXEVBH-HBMCJLEFSA-N 476.666 2.220 30 10 JEEE C=CCCCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1760429928 UOCUFBYJCNBXEN-GOSISDBHSA-N 454.579 2.154 30 10 JEEE C=CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(S(C)(=O)=O)CC1 1760444218 AFHQMBRHDQVFLJ-KRWDZBQOSA-N 468.624 2.398 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@H](C)OC(C)(C)C1 1760515519 WQCQGZWZMOKKBU-HNNXBMFYSA-N 460.966 2.167 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1CCCC2(CCOCC2)C1 1760548328 DKBOHOVOETXEPD-UHFFFAOYSA-N 467.636 2.194 30 10 JEEE CC(C)NC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@](C)(C#N)C1 1761267814 HJIOWGCSWAPHNH-HSZRJFAPSA-N 451.579 2.107 30 10 JEEE CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1764580341 BBAVQWVUKBWXKF-GOSISDBHSA-N 483.573 2.358 30 10 JEEE CN(C)S(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2CCCCC2)CC1 1768526159 HKIDXIUHCWBISC-UHFFFAOYSA-N 471.631 2.163 30 10 JEEE N#Cc1cccc(NC(=O)NS(=O)(=O)c2ccc(CCNC(=O)Cc3ccncc3)cc2)c1 1859002853 SPVSISRZKOJTHT-UHFFFAOYSA-N 463.519 2.365 30 10 JEEE O=C(/C=C/c1ccc([N+](=O)[O-])s1)C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 1860729781 PPLJIHKSSZKGRU-XBXARRHUSA-N 459.465 2.468 30 10 JEEE COc1cc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCCNC=O)cc(OC)c1O 1862681372 YUOSFQZBYVHTKO-IBGZPJMESA-N 458.442 2.263 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(O)c([N+](=O)[O-])c2)cc1 1862691015 WQHRPLDNRLJONK-OAQYLSRUSA-N 483.477 2.220 30 10 JEEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc2c(c1)OCCO2 1862745802 SBKKHCFHVFZZGR-FQEVSTJZSA-N 467.434 2.080 30 10 JEEE COC(=O)c1ccc(C)c(NC(=O)[C@H](CO)NC(=O)C2CCN([C@@H](C#N)c3cccs3)CC2)c1 1866866020 CEMYKKHVRDWXAO-PMACEKPBSA-N 484.578 2.236 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCCCC(=O)OCC)cn1CCCN1CCOCC1 1870368202 LGMCDZCKBYQGJV-UHFFFAOYSA-N 461.603 2.467 30 10 JEEE C=CCn1c(C(=O)NCCCCCCO)cc2c(N3CCN(C(=O)OCC)CC3)ncnc21 1873596385 UOMBLVYTMBTNFN-UHFFFAOYSA-N 458.563 2.178 30 10 JEEE CC(C)N1C(=O)CS[C@H](C(=O)N2CCC(N3CCN(C)C3=O)CC2)[C@H]1c1ccc(C#N)cc1 1889950231 VPELJNQEXBORNP-YADHBBJMSA-N 469.611 2.310 30 10 JEEE N#Cc1nccnc1O[C@H]1CCCN(C(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)C1 1891979620 VHHJUILNLIADIG-SFHVURJKSA-N 489.985 2.472 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1C(=O)NCCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2180969513 XHNOAPMEXKHIOB-RBUKOAKNSA-N 460.380 2.184 30 10 JEEE CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)NCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2180983952 SGTDTXPBCQZUQK-OALUTQOASA-N 460.380 2.484 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](Cc1ccc[nH]1)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2180986271 ZLXNFOVNASVELV-INIZCTEOSA-N 457.340 2.178 30 10 JEEE CC1(C)OB(c2cc(C(=O)N3CCC[C@H](NC(=O)OCc4ccccc4)C3)[nH]n2)OC1(C)C 2253173126 XCLSZAFUWXVYMK-KRWDZBQOSA-N 454.336 2.240 30 10 JEEE Cc1csc(CNC(=O)[C@@H](O)[C@@H](C)NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2256624624 OFXJYFUJWWOFKK-CJNGLKHVSA-N 454.398 2.246 30 10 JEEE CN(C(=O)c1sncc1B1OC(C)(C)C(C)(C)O1)[C@]1(CNC(=O)OC(C)(C)C)CCOC1 2267163455 HIAZWVUBMKIDTE-NRFANRHFSA-N 467.397 2.198 30 10 JEEE CC(C)(C)OC(=O)NCC1(O)CCN(C(=O)c2occc2B2OC(C)(C)C(C)(C)O2)CC1 2267185841 BBHSTGHZNYTKTD-UHFFFAOYSA-N 450.341 2.071 30 10 JEEE CC(C)(C)OC(=O)N1CCC(O)(CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)CC1 2267558141 XSKRYTULKRXPMU-UHFFFAOYSA-N 450.341 2.071 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1NC(=O)COCCNC(=O)OC(C)(C)C 2268636979 AELOHLVGPMSZLT-UHFFFAOYSA-N 450.341 2.474 30 10 JEEE C[C@@H](OCc1ccccc1)[C@H](NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2269029369 AYNJNBYIVGECBG-PBHICJAKSA-N 481.401 2.384 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1COC[C@@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2281791531 ZCVJFRUBQWYIQF-KDOFPFPSSA-N 464.343 2.394 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CC12CCC2 2281983723 YHRQBJYDSTUNFR-OAHLLOKOSA-N 460.384 2.476 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](CO)[C@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2282174437 FXYKKNHASOYBAG-PKOBYXMFSA-N 460.380 2.334 30 10 JEEE CO[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)N(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2282176616 VKOSUOICQAHZGQ-IRXDYDNUSA-N 461.368 2.135 30 10 JEEE COCC[C@H](CNS(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2282425213 MTGWVEKXRHWNMR-MRXNPFEDSA-N 484.424 2.194 30 10 JEEE CCc1nc(C(=O)NC[C@H]2COCCN2C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2282523868 DTNOQXNBXUIFDI-AWEZNQCLSA-N 481.424 2.370 30 10 JEEE Cc1c(C(=O)NC[C@H]2N(C(=O)OC(C)(C)C)CC2(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282554998 MDWJUPJFMZTQFM-OAHLLOKOSA-N 462.400 2.403 30 10 JEEE Cn1ncc(C(=O)NC[C@@]2(C)CCCN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2282568813 IPMFPNNKDBBPTH-HSZRJFAPSA-N 462.400 2.486 30 10 JEEE Cc1nn(C)c(C(=O)NC[C@]2(F)C[C@H](NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2282585366 KXFCNISZZQRFHJ-CAJLXGCNSA-N 466.363 2.153 30 10 JEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)n1 2282628468 NSYXRUCQCJYBQR-REPLKXPHSA-N 451.380 2.040 30 10 JEEE CC(C)(C)OC(=O)N[C@@]1(C(=O)NCc2cc(B3OC(C)(C)C(C)(C)O3)ccc2F)CCOC1 2284030855 LFILLQVVQMXELB-QHCPKHFHSA-N 464.343 2.425 30 10 JEEE COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1NC(=O)[C@]1(NC(=O)OC(C)(C)C)C[C@@H](O)C1 2284051194 KSXPWKBHFHGKGK-GUJKFWMDSA-N 462.352 2.351 30 10 JEEE CC(C)(C)OC(=O)N[C@]1(C(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)C[C@@H](O)C1(C)C 2284059458 HAHHXJDNNOFOFQ-CMJOXMDJSA-N 461.368 2.374 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CC[C@@H]2NC(=O)OCc2ccccc2)n1C 2315516181 TYIWMRCCDJZGJK-ROUUACIJSA-N 468.363 2.215 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CS(C)(=O)=O)C(=O)N1CC[C@@](C)(B2OC(C)(C)C(C)(C)O2)C1 2319753799 MKLLGBDZSVHEEB-VBKZILBWSA-N 460.402 2.009 30 10 JEEE COc1ccc(Cc2nnc(SCC(N)=O)n2N=Cc2cccc([N+](=O)[O-])c2)cc1OC 2326736141 PYUKYFILWGBXGZ-UHFFFAOYSA-N 456.484 2.254 30 10 JEEE COCCn1cc(C#C[C@H](N)[C@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)cn1 2340408491 SGDHFKXKAKNYBM-DHLKQENFSA-N 453.587 2.378 30 10 JEEE C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)CCN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2362353020 IGQCKZJTUCZRKM-HOTGVXAUSA-N 462.400 2.485 30 10 JEEE CCOc1cc(/C=N/Nc2nnc(SCC(=O)Nc3ccccc3OC)n2N)ccc1O 21326389 QUQXDOBAOZSMCB-SSDVNMTOSA-N 457.516 2.282 30 10 JEEE COc1cc(OC)c([C@@H]2c3c(nc(N4CCC(C)CC4)[nH]c3=O)NC(=O)[C@H]2C#N)cc1OC 72445312 OCLBVNFLBCAVQA-KSSFIOAISA-N 453.499 2.256 30 10 JEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2csc(C(C)(C)C)n2)c(=O)n1-c1ccccc1C#N 517985441 DGUWTSYUXHPJSX-UHFFFAOYSA-N 475.599 2.330 30 10 JEEE CCN(CC)c1ccc([C@@H]2N(C(=O)C[N+](=O)NOC)[C@@H](C)CN2S(=O)(=O)c2ccccc2)cc1 585088902 JCFXYESUQQUFOP-MBSDFSHPSA-N 490.606 2.298 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)[C@@H](C#N)c3nnc(N4CCOCC4)n3-c3ccccc3)cc2C1=O 614437897 FEJACAIANCFWQR-OAQYLSRUSA-N 482.500 2.376 30 10 JEEE C#Cc1cccc(N(CC(=O)NC)C(=O)c2cc3n(n2)C[C@@H](C)N(C(=O)OC(C)(C)C)C3)c1 1125505659 UXJOYBVIQRVQNT-MRXNPFEDSA-N 451.527 2.396 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C1 1154618782 CRWIRONGYANWRD-LSDHHAIUSA-N 450.561 2.067 30 10 JEEE C#Cc1cccc(NC(=O)CNC(=O)[C@H](C)NS(=O)(=O)c2cccc(C(F)(F)F)c2)c1 1182414283 SIPRUNKDYVEGDN-ZDUSSCGKSA-N 453.442 2.108 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1C[C@H](F)CN1Cc1cccs1 1286279363 VEMJSNVTJUHFGQ-QAETUUGQSA-N 468.624 2.020 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1C[C@H](F)CN1Cc1cccs1 1286279365 VEMJSNVTJUHFGQ-YVSFHVDLSA-N 468.624 2.020 30 10 JEEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@H]1CCOC[C@@H]1OC 1286369404 OQJFKUCJJUZATF-XLIONFOSSA-N 450.543 2.186 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@H](CC)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1286389041 DTRTURLBHGUPTQ-PMACEKPBSA-N 456.616 2.150 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@@H]1CCCOC1)[C@H]1CCS(=O)(=O)C1 1286395747 NBXYRVXNQQWUGI-HKUYNNGSSA-N 462.547 2.050 30 10 JEEE C#CCN(c1nnc(COCC)n1Cc1csc(-c2ccco2)n1)[C@@H]1CCS(=O)(=O)C1 1286395785 NKXXELPOEUYMEW-MRXNPFEDSA-N 461.569 2.206 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1C[C@@H](c1cccs1)N1CCOCC1 1286464519 CDSCRDQOOLZMID-PMACEKPBSA-N 459.616 2.393 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CC[C@@](O)(Cc2cccc(Cl)c2)C1 1286784977 AIQBACBKIHLKRH-HSZRJFAPSA-N 454.962 2.423 30 10 JEEE CCNC(=O)c1cccc(Cn2c(N3CCC(C#N)CC3)nnc2[C@]2(OCC)CCOC2)c1 1296281334 AZOFRZBDXHJQLL-DEOSSOPVSA-N 452.559 2.468 30 10 JEEE CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@](C)(O)c1ccc(F)cc1 1297279092 AQXDMXMHNMRTHM-DEOSSOPVSA-N 465.533 2.455 30 10 JEEE COc1ccc(CCc2nnc(N3CCC(C#N)CC3)n2CCS(=O)(=O)NC(C)C)cc1 1300116532 HIJPDOHHCQYQMQ-UHFFFAOYSA-N 460.604 2.140 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CC(=O)N(C)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1300484499 STHZQNIZXQNYQN-OAQYLSRUSA-N 499.637 2.372 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H](CC(C)C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1300496892 VWSWKAFNYTXVBD-AQNXPRMDSA-N 451.637 2.123 30 10 JEEE C#CCN(c1nnc(Cc2c[nH]c3ccccc23)n1C[C@H](CC)OC)[C@H]1CCS(=O)(=O)C1 1300501100 GXCGWNSGNOBLDH-OALUTQOASA-N 455.584 2.402 30 10 JEEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CCCN1C[C@H](C)O[C@H](C)C1 1300559131 JUZFCTDORSRUBR-FBLLAGFSSA-N 457.619 2.281 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CCCNC(=O)C1CCC1 1300650120 YPHKWVLRHVNFKJ-FQEVSTJZSA-N 452.534 2.315 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCO2)n1CCS(=O)(=O)N1CCSCC1 1300650514 SVBWVOGWTJQXJR-HXUWFJFHSA-N 493.630 2.287 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@H]2CCCN2CCCO)CC1 1300689370 URGUNJZZSYNOAD-NRFANRHFSA-N 487.446 2.310 30 10 JEEE C=CCC(C)(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1301142173 XHQHZQPOWVPMAF-GOSISDBHSA-N 456.576 2.146 30 10 JEEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(NC(=O)N(C)C)cc1)C1CC1 1301314272 RKJMCBPBMIIJJS-HNNXBMFYSA-N 461.592 2.185 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCC(NS(C)(=O)=O)CC1 1301485149 RXBLPDOBZVSUMF-UHFFFAOYSA-N 492.671 2.096 30 10 JEEE CC(C)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(S(C)(=O)=O)CCCC2)CC1=O 1303185473 DPPWYONILKUIJZ-UHFFFAOYSA-N 484.626 2.479 30 10 JEEE CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCOCC2)CCN1CCOC 1306409149 HZMPJMXGRQITQP-HSZRJFAPSA-N 467.618 2.086 30 10 JEEE CCCNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1313476292 FTWSMSSWPHTQSG-LJQANCHMSA-N 453.547 2.448 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCNC(=O)[C@@H](C)CCC)[C@@H]1CCS(=O)(=O)C1 1358959475 JMDDNELNTXDCNX-FUHWJXTLSA-N 493.033 2.173 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CC[C@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1358966549 RJVWFGXMKKKQOM-NHCUHLMSSA-N 483.594 2.315 30 10 JEEE C#CCN(c1nnc(CSc2ccccc2OC)n1C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 1358967687 QBAYXISUQIRWCK-ROUUACIJSA-N 476.624 2.385 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@]1(C)CN(C)C1=O 1358991934 UNLNLGTXCCXZRW-SANMLTNESA-N 471.565 2.177 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](C)N1CCN(CC)CC1 1359026837 MFLNPEVIVSKCNS-BHDDXSALSA-N 460.667 2.309 30 10 JEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](O)CC2(CCCC2)C1 1359203084 ICMLWUDAYFVOHT-MOPGFXCFSA-N 467.636 2.099 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CCCOC2)C1 1359334460 GRCXUCQAEVGTGL-HSZRJFAPSA-N 471.583 2.336 30 10 JEEE CC(=O)N1CCc2ccc(S(=O)(=O)N3CC[C@H](N(C)c4cccc(C#N)c4)C3)cc2CC1 1464467395 IEUNPNVKIZVZGU-QHCPKHFHSA-N 452.580 2.405 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@H]1NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1465230884 BSBIGULXPVOKAL-FUHWJXTLSA-N 450.561 2.036 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@H](C)N1CCC[C@@H](C)C1 1493686994 AQZDPNOQYWJCBF-UXHICEINSA-N 479.633 2.130 30 10 JEEE CC[C@H](C)N(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1496187311 FTGLWSXGGNUHEP-REWPJTCUSA-N 495.628 2.287 30 10 JEEE CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnn(CC)c2)CC1 1496306809 HRRHUNYONKQHMH-IBGZPJMESA-N 475.601 2.118 30 10 JEEE CCOc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCC(=O)N2CCOCC2)cc1OC 1502804107 HPLPUVAIJRMAOV-QHCPKHFHSA-N 472.521 2.043 30 10 JEEE CNC(=O)C(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(Nc2cccnn2)CC1 1503701485 AZYJVAJFWBTGFH-UHFFFAOYSA-N 489.584 2.372 30 10 JEEE COC(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCCO[C@H](C)C2)C1 1503862322 FLOUOVWEMJYVMT-WIYYLYMNSA-N 452.559 2.317 30 10 JEEE C#CCCCCn1c(CC2CC2)nnc1N1C[C@@H]2[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1507565877 HEAWIUNXIRVQES-CEXWTWQISA-N 477.631 2.161 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](c2nc(C)cs2)C1 1507588195 HIVFHFUOHQLVGT-MSOLQXFVSA-N 478.644 2.173 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCCCOCC)[C@@H]1CCS(=O)(=O)C1 1507626011 MFFXRBLVPPKNRE-MRXNPFEDSA-N 484.420 2.479 30 10 JEEE C#CCN(c1nnc(-c2ccc(OCCC(C)C)cc2)n1Cc1cnnn1C)[C@H]1CCS(=O)(=O)C1 1507628197 HBTIXANTECZKTG-FQEVSTJZSA-N 497.625 2.174 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1CCCCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1507631293 NSFHZKNVROJBRA-HXUWFJFHSA-N 450.568 2.385 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@@H](CC)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1507638486 FVRGXDSEOLGFEQ-RTWAWAEBSA-N 489.617 2.497 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCCOC2CCCCC2)CC1 1507734082 QNIRNTZZFHKXSV-UHFFFAOYSA-N 470.618 2.219 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H]2CCCCS2)CC1 1507736634 RBEHTTXIBWNYBH-WMZHIEFXSA-N 461.632 2.182 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOCC(F)(F)C(F)F 1507773811 XHEJPTJFXGPKQJ-SUMWQHHRSA-N 452.474 2.089 30 10 JEEE C=C(Br)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1507788654 RNFYUJUKTKODSN-UHFFFAOYSA-N 477.338 2.437 30 10 JEEE C=C(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1nccs1)c1ccccc1 1507851006 DQIKFTGGJJHGQF-SFHVURJKSA-N 474.612 2.417 30 10 JEEE C=C(Cl)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CC)CCS(C)(=O)=O 1507868772 OMHNOKSJXJOQQW-OAHLLOKOSA-N 478.015 2.210 30 10 JEEE C=CCC(C)(C)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(CC(=O)N(C)C)CC1 1507911164 CHEDLDXTCYAJAP-UHFFFAOYSA-N 454.575 2.486 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1508075363 XSEMDQWXHDAHOQ-GOEBONIOSA-N 463.629 2.057 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1508084810 CNZKORFTGKPVLZ-HXUWFJFHSA-N 478.601 2.305 30 10 JEEE CCc1cnc(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@H](CNC(C)=O)C2)s1 1513698718 HIXHKMRLASDRGJ-LJQANCHMSA-N 465.583 2.420 30 10 JEEE CCN(CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(c2ccccc2C#N)CC1)C(C)C 1515726291 CIRKYJXUFRGEJB-JOCHJYFZSA-N 499.685 2.499 30 10 JEEE CC(=O)N1CCc2c(sc(NC(=O)CN3C(=O)N[C@]4(CCCC(C)(C)C4)C3=O)c2C#N)C1 1529937651 ANLCGCGDCHNCOM-QFIPXVFZSA-N 457.556 2.354 30 10 JEEE C#CC[C@@H](COC)NC(=O)c1ccc(NC(=O)C[C@@H]2SC(N3CCCCC3)=NC2=O)cc1 1534146467 PFIWILRZEGEXKJ-OALUTQOASA-N 456.568 2.267 30 10 JEEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1539116474 OINKJQSQQMHXSU-OAHLLOKOSA-N 497.547 2.156 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccc(OC)c(OC)c1OC)[C@H]1CCS(=O)(=O)C1 1539203607 SSMIMFMAZOHWDW-KRWDZBQOSA-N 476.599 2.276 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC(O)(CCC)CCC)[C@H]1CCS(=O)(=O)C1 1539219003 AZUZLWCQQATOOE-OALUTQOASA-N 452.621 2.478 30 10 JEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCC(=O)NC1CCCCC1 1539257551 LXZZHIUCFPZQNV-UHFFFAOYSA-N 481.626 2.150 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(Br)cn2C)n1C[C@H]1CCCS(=O)(=O)C1 1539301114 LAFQQSWJBCHNNM-MRXNPFEDSA-N 478.416 2.334 30 10 JEEE C#CCN(CC)c1nnc([C@H]2COc3ccccc3O2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1539370798 GKSNUYCBCAHJCU-DENIHFKCSA-N 466.586 2.193 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)ccc3Br)n2C[C@@]2(C)COCCO2)CC1 1539434545 MOBCTKJFLYSUGD-QFIPXVFZSA-N 490.402 2.277 30 10 JEEE C=CCOc1cccnc1C(=O)NCCNS(=O)(=O)c1cc(C)ccc1Br 1539476144 HWVGXAGJFDESLB-UHFFFAOYSA-N 454.346 2.426 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCOC[C@@H]2C)CC1 1539489762 XDGSZTDDORPCCE-SIKLNZKXSA-N 476.581 2.367 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1539517569 POVHXVSQBSOPCT-ROUUACIJSA-N 497.687 2.240 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@H](C)CC(N)=O 1539621074 PHMSVUPUEIFQCA-MDYRTPRTSA-N 461.588 2.030 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N(CC)CCS(C)(=O)=O 1540865094 VIOHAEWQTKMFSZ-UHFFFAOYSA-N 465.645 2.449 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H](C)CCSC 1540871565 OIAFEJSPJBNUNE-SJORKVTESA-N 482.651 2.467 30 10 JEEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(C2CCCCC2)C(=O)C1 1540872362 MLFRDJHSMXRASC-UHFFFAOYSA-N 472.540 2.431 30 10 JEEE C[C@@H]1OCC[C@]12CN(c1nnc(-c3ccc(C#N)cc3)n1CCCS(C)(=O)=O)C[C@@H](C)O2 1544721941 DHIROVGNQDKCLL-JLHGSKIFSA-N 459.572 2.024 30 10 JEEE CCS(=O)(=O)N(C)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cc(C)no2)CC1 1548325814 DYWMZEYMWFHPKX-UHFFFAOYSA-N 499.597 2.324 30 10 JEEE CN(Cc1cccc(C#N)c1)c1nnc(CN2CCCC2=O)n1CCNC(=O)OC(C)(C)C 1554164887 BCPMDHMQRHCCTI-UHFFFAOYSA-N 453.547 2.433 30 10 JEEE Cc1nc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)sc1Br 1561338770 HEQQHWPQMDKGIN-JTQLQIEISA-N 451.368 2.348 30 10 JEEE C#CCNC(=O)CN1CCN(C(=O)C[C@H]2CCN(C(=O)OC(C)(C)C)c3ccccc32)CC1 1568701890 YDAFJKFYVBWBPZ-LJQANCHMSA-N 454.571 2.199 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCOC[C@@H]1CCCO1 1587633797 YTSXOGJQJJPFKQ-CTNGQTDRSA-N 453.591 2.496 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1Cc1ccc(NC(C)=O)nc1)[C@H]1CCS(=O)(=O)C1 1588046218 ZZBCPVUCOVOVBF-FQEVSTJZSA-N 478.578 2.282 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@H]1CC(F)(F)CO1)[C@H]1CCS(=O)(=O)C1 1588069034 FUFRCCUJQHTKNI-PKOBYXMFSA-N 480.537 2.216 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1CC[S@](=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1588069266 KQWCUYILFWYWKE-WHUARKNTSA-N 492.667 2.339 30 10 JEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1Cc1ccc(OCC(F)(F)F)nc1 1588246029 ZJHJHJIUVOHQGR-UHFFFAOYSA-N 460.460 2.248 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CC(=O)N(CCOC)C1 1588457951 APGCVSZLFFPQPN-MOPGFXCFSA-N 474.606 2.305 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)nc1 1588549910 BPKIWHLINBIXCX-JOCHJYFZSA-N 498.584 2.142 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCCCN2CCC[C@H](C)C2)CC1 1588930335 SUJJFUMOVNAQDH-RBBKRZOGSA-N 456.635 2.260 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CC[C@H](CO)O1 1589215440 ADZLOEKJDIGBOU-UAKAABGRSA-N 475.590 2.119 30 10 JEEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)c2ccco2)CC1 1589485408 ZFXAWNCQCKFIRQ-RDJZCZTQSA-N 480.363 2.466 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1c(C)nn(C)c1C 1589548207 YGIZLNHXZAFQRW-HBFSDRIKSA-N 462.620 2.148 30 10 JEEE C=C(C)Cn1c(COc2cc(C)ccc2C)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1593666598 JYLDEZTZTYOGOG-UHFFFAOYSA-N 466.586 2.321 30 10 JEEE C=C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC2(OCCOC)CCOCC2)CC1 1594024092 RTCIVHPVQLNTQS-QHCPKHFHSA-N 450.580 2.299 30 10 JEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(Oc2cncc(Cl)n2)CC1 1594680308 RGDIKLMJMMRSSO-AWEZNQCLSA-N 469.999 2.346 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC(NC(=O)c2cc(C)oc2C)CC1 1595523526 XHWZGKNWUXYQGL-UHFFFAOYSA-N 463.542 2.251 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N1C[C@H]2CCCN2C[C@H]1C 1595765491 BHTAWCFFNCERRU-NVXWUHKLSA-N 497.463 2.320 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(Br)s1 1595788676 GLDBCYPMUDFNAR-CYBMUJFWSA-N 488.433 2.290 30 10 JEEE CCCCn1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCO[C@H](C(=O)NC)C2)c(C)n1 1614533834 FSSJBAFJULQESK-QFIPXVFZSA-N 492.584 2.033 30 10 JEEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H](c2ccc(C)cc2)[C@H](C)S(C)(=O)=O)c1 1618211747 IFYZLXCZJAQOIN-JXFKEZNVSA-N 450.582 2.364 30 10 JEEE CCOC(=O)c1c(NC(=O)N2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)c(C#N)cn1CC 1625714012 HANSCASPBLKZAZ-KRWDZBQOSA-N 458.563 2.107 30 10 JEEE CC1CCN(S(=O)(=O)c2ccc(C(=O)N3CCN(c4ccc(C#N)nc4)CC3)s2)CC1 1651414159 GERIGKIGCIFRGX-UHFFFAOYSA-N 459.597 2.398 30 10 JEEE C#Cc1ccc(NC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CC(=O)N4)CC2)c(Cl)c1 1674760265 XQJAFLIGDGUIAZ-UHFFFAOYSA-N 458.927 2.354 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CC[C@H]2CCO[C@@H](C)C2)c1 1689870472 PCQATFMDVXKWQC-CUWPLCDZSA-N 464.570 2.491 30 10 JEEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1689915275 WJXXDVLOXLNWHL-INIZCTEOSA-N 460.380 2.500 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H](CC)Oc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1689987859 DGUQPVMNCCGNCS-RBUKOAKNSA-N 484.557 2.359 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H](C)N2CCC(C)CC2)CC1 1690113215 CWFPEZQTFMNUNH-RCZVLFRGSA-N 458.651 2.194 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H](OC)c2ccc(F)cc2)CC1 1690138057 QVMYKQJGMCZURJ-BKMJKUGQSA-N 499.587 2.423 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CC2(COC)CCC2)CC1 1690150534 LNLBMDHHIISWLE-UHFFFAOYSA-N 456.616 2.416 30 10 JEEE C=C(Br)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H](C(=O)OC)C1 1690232348 ICSSIKAKSFBKOU-GFCCVEGCSA-N 454.350 2.178 30 10 JEEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)c1cccc(O)c1 1690313142 MAHDMPPOOKHIFE-PXNSSMCTSA-N 479.603 2.107 30 10 JEEE C=C(Cl)Cn1c(N2CCN(CC(=O)NCC)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1690359263 XCCPPPSFVUHGQF-CALCHBBNSA-N 482.029 2.059 30 10 JEEE C=CCC(C)(C)Cn1c(COCC)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1690439332 BVTRCNWYDQNJNK-UHFFFAOYSA-N 460.623 2.357 30 10 JEEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)c2cc(C)oc2C)CC1 1690507722 VHRJXUPPGAUBME-FQEVSTJZSA-N 470.574 2.431 30 10 JEEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 1690643704 PPBCEKGEIOYPAN-HNNXBMFYSA-N 464.979 2.270 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC(c2nc(C)no2)CC1 1690659607 XZLSFBDXYFBENF-UHFFFAOYSA-N 498.975 2.239 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 1690669093 UCAAKPJSEYMUNT-IBGZPJMESA-N 478.532 2.490 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCc2oncc2C1 1690670736 HXXSCAJQXOMNSE-INIZCTEOSA-N 471.562 2.246 30 10 JEEE CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2ccc(OCC(F)(F)F)nc2)CCOC1 1696083735 ARQHBGKJHYPWNA-JXFKEZNVSA-N 482.463 2.043 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2CC(C)(C)C(=O)NCC)c1 1705506685 FONFTVWEFUHQPD-GOSISDBHSA-N 452.559 2.001 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1C[C@@]1(C)COCCO1)[C@H]1CCS(=O)(=O)C1 1705562562 FPJOMFFJFXOMBU-KKSFZXQISA-N 482.965 2.170 30 10 JEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1cccnc1OCC 1705574939 SPGKLMQCOHALNM-UHFFFAOYSA-N 477.594 2.461 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@H]1CCN(S(C)(=O)=O)C1 1705575184 YKBFMYYGPDODTF-IBGZPJMESA-N 462.579 2.156 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(=O)N(C)CC 1705596510 GUYLOPXBUDAIQD-LJQANCHMSA-N 456.591 2.334 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(c2ccccn2)CC1 1705722308 FRMIAUPPPVRFOS-UHFFFAOYSA-N 467.599 2.493 30 10 JEEE C=C(C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1705722951 QUHIPRSGWZKXBK-OAQYLSRUSA-N 454.575 2.281 30 10 JEEE C=C(C)COCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1705732386 XMWBYGIUWPQZFI-UHFFFAOYSA-N 464.570 2.485 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1705936180 LEBDHTAUJHEZFZ-SJORKVTESA-N 469.608 2.224 30 10 JEEE CCn1nc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H](OC)C(C)(C)C)c2ccccc2c1=O 1710303889 FWYGYOORLLAEOZ-VQIMIIECSA-N 465.558 2.465 30 10 JEEE CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)c2ccccn2)CC1 1710329700 FAEIVXHKJHULPX-UHFFFAOYSA-N 472.597 2.448 30 10 JEEE COCCN1C[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@@H](C)C2)CC1=O 1712472725 FZAMNTVAIZRLSK-QUCCMNQESA-N 452.559 2.460 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ccc(CSC)cc1)[C@@H]1CCS(=O)(=O)C1 1722361134 LLIULPUDOBJFBJ-LJQANCHMSA-N 468.608 2.273 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1CCc1ccc(Cl)s1)[C@H]1CCS(=O)(=O)C1 1722367276 MKEPGVZYVCNDRU-GJZGRUSLSA-N 455.005 2.366 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 1722413556 ODOGVCKPQCLFMQ-ZWKOTPCHSA-N 477.631 2.429 30 10 JEEE C#CCN1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CC[C@@H](OCC)C(C)C)CC1 1722437939 LTTNLYFIRSZBNS-OAQYLSRUSA-N 487.674 2.445 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1722468222 LMMCHGGYGAFMPG-AUUYWEPGSA-N 481.420 2.309 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 1722693844 BPZRUELHNYNECA-IBGZPJMESA-N 463.586 2.498 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1CCN(C(=O)OC)CC1 1740545579 BASBZASVQVEELV-MRXNPFEDSA-N 473.603 2.175 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCO[C@@H]1C(=C)C)[C@@H]1CCS(=O)(=O)C1 1740617991 AIDCWDBDIPKSQA-BHDDXSALSA-N 465.579 2.425 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H](c1ccc(C)o1)N1CCOCC1 1740644939 ZTPMWEPUOCZYBY-FUDKSRODSA-N 467.570 2.050 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@H]2CCOC[C@H]2C)CC1 1740696631 ZENNWZLQDGMTBW-HKBOAZHASA-N 488.633 2.014 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CCc2ccc(OC)c(OC)c2OC)CC1 1740697869 IHJRWHHFINDRMI-UHFFFAOYSA-N 476.581 2.288 30 10 JEEE C=C(Br)Cn1c(-c2ccc[nH]2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1740742208 GSNVHTOICRGLGX-SFHVURJKSA-N 478.439 2.413 30 10 JEEE C=C(Br)Cn1c(Nc2cnn([C@H]3CC3(F)F)c2)nnc1[C@H](C)NS(C)(=O)=O 1740750369 PKRKQXAIMSROMO-ONGXEEELSA-N 466.312 2.317 30 10 JEEE C=C1CCN(c2nnc(CCOc3ccccc3)n2CCS(=O)(=O)N2CCSCC2)CC1 1740828824 ZDAWYWGURXZNAE-UHFFFAOYSA-N 477.656 2.435 30 10 JEEE C=CCCOCCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@](C)(C(N)=O)C1 1740888884 KAYNVLWZDCWNKK-LJQANCHMSA-N 451.369 2.341 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CCC[C@H](n2cncn2)C1 1740952573 IHWIWNOQVXMDHZ-KRWDZBQOSA-N 471.363 2.443 30 10 JEEE CC(C)C(=O)NC[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC(F)(F)F)C1 1741280970 BOGVCBVUIHYXJD-KRWDZBQOSA-N 491.518 2.484 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CC1CCN(CCN(C)C)CC1 1748684541 LBAXOQOZODBXOI-GOSISDBHSA-N 457.648 2.001 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@]1(O)CCS(=O)(=O)C1 1748868469 XNRJKFYFNUZCPA-GBXCKJPGSA-N 470.595 2.047 30 10 JEEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1CC(C)(C)N1CCC(OC)CC1 1748868508 YBVBEAPRNIPPEA-VWLOTQADSA-N 457.619 2.283 30 10 JEEE C#CCN(CC#CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@]1(C)CN(C)C1=O 1748890626 RRUFASCIBDANLW-VWLOTQADSA-N 468.602 2.334 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCNC(=O)c2ccc(C)c(F)c2)CC1 1749009645 LGJDGHKXTJCVTB-OAQYLSRUSA-N 496.587 2.015 30 10 JEEE C#CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N(C)CC(=O)N1CCOCC1 1749027979 WPGYMPQKNVVJIR-UHFFFAOYSA-N 463.991 2.269 30 10 JEEE C#CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@@H]1CCOC1 1749038609 UULAUKLKNJUKNX-ROUUACIJSA-N 465.620 2.426 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccc2OC)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1749133950 RWEYISCKRYFUJI-VIZSFHNOSA-N 489.642 2.377 30 10 JEEE C=C(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1749204036 TYMKHEKEVOGSSX-LJQANCHMSA-N 458.588 2.413 30 10 JEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(F)(F)CNC(=O)OC(C)(C)C)CC1 1749329509 NXEOHJOANORGRG-AWEZNQCLSA-N 492.593 2.451 30 10 JEEE C=CCCOCCn1c(Cc2ccccc2C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1749457093 FYOZYKUHGGVNHR-HXUWFJFHSA-N 452.559 2.243 30 10 JEEE C=CCN(CCOC)c1nnc(-c2cccc3cccnc23)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1749594955 VQERAWQHGUFRRM-GOSISDBHSA-N 470.599 2.414 30 10 JEEE COCC[C@@](C)(O)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCO[C@H](C#N)C1 1749601111 CIKAMYUHBXYJIC-AUUYWEPGSA-N 468.327 2.363 30 10 JEEE N#CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCn2cc(Br)cn2)CC1 1750384611 HIJLSIBEGCVBQD-UHFFFAOYSA-N 470.335 2.325 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCSCC1 1760117903 VOQCJFAXALAGLN-ROUUACIJSA-N 464.636 2.093 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@H](C)SC)[C@H]1CCS(=O)(=O)C1 1760180466 FZEYMARYUSRIRL-RDJZCZTQSA-N 494.639 2.349 30 10 JEEE C#CCN(c1nnc([C@@H](C)OCCOC)n1Cc1ccc(F)c(C)c1)[C@@H]1CCS(=O)(=O)C1 1760181219 RCMYDDROOKKEMO-IEBWSBKVSA-N 464.563 2.125 30 10 JEEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](CC)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1760186361 MMGQGIFHZZEGPM-TYPHKJRUSA-N 490.651 2.001 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CCc1ccccc1OC)[C@@H]1CCS(=O)(=O)C1 1760189663 KRBIITCSAZRDDY-OAQYLSRUSA-N 465.579 2.142 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCCN(C)[C@@H]1c1cccs1 1760248666 PSSFVSGVAICKHW-LQWHRVPQSA-N 456.616 2.460 30 10 JEEE C=C(C)COCCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@](C)(C(N)=O)C1 1760350647 OMENKWJSWGVVEX-IBGZPJMESA-N 451.369 2.341 30 10 JEEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1760351935 MSRNCLMGTZMDOO-GOSISDBHSA-N 455.563 2.259 30 10 JEEE C=CCNC(=O)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCS(=O)CC1 1760516213 YEWCSBHDGRVVLO-UHFFFAOYSA-N 456.597 2.248 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCOC[C@H](C2CCC2)C1 1760527786 IRSIWRAUTGVQAZ-LJQANCHMSA-N 455.559 2.421 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)C[C@@H]1CCCOC1 1760552947 HBUFWTDWVXEREA-KRWDZBQOSA-N 462.572 2.180 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CCC(N(C)C(C)=O)CC1 1760557369 JFPRWCDYXCTQDQ-UHFFFAOYSA-N 475.615 2.213 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(C(C)=O)C[C@H]1C 1760557467 MJKQSYRMTOQCIA-LJQANCHMSA-N 475.615 2.132 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2C[C@H](C)O[C@@H](c3ccccc3)C2)nnc1[C@@]1(OCC)CCOC1 1760558335 MJQXUKGWIWTTDJ-XZDHIHRUSA-N 490.626 2.497 30 10 JEEE COCCN1C[C@@H](Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2CCC(C#N)CC2)CC1=O 1769876724 DKPUSYIPJKSJFW-SFHVURJKSA-N 468.558 2.197 30 10 JEEE N#Cc1ccc(OCc2nnc(N3CCC(CC(N)=O)CC3)n2Cc2nccn2C(F)F)cc1 1771534432 ATXDGFVDVVVVRD-UHFFFAOYSA-N 470.484 2.460 30 10 JEEE COc1ccc([C@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2CCNC(C)=O)cc1OC 1862746120 ZEGGYIAWXDVCHB-FQEVSTJZSA-N 469.450 2.326 30 10 JEEE COc1cccc(N2CCN(C(=O)CNC(=O)C3CCN([C@@H](C#N)c4cccs4)CC3)CC2)c1 1868782327 HCKADCAWUSDBDA-QFIPXVFZSA-N 481.622 2.498 30 10 JEEE C=CCn1cc(OCC(=O)Nc2ccccc2OC)c(=O)cc1CNc1ccc(S(N)(=O)=O)cc1 1871182861 LVZIWHNDHDWEFC-UHFFFAOYSA-N 498.561 2.320 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)COc2nonc2CC(=O)NCc2ccc(F)cc2)nc1C 1872649433 YOAQLIICMIQWBG-UHFFFAOYSA-N 489.485 2.193 30 10 JEEE CCOC(=O)c1sc([C@H](C#N)C(=O)CN2CCN(C(=O)OCC)CC2)nc1C(F)(F)F 1872798985 BMIKYJJYLWNVQK-LLVKDONJSA-N 462.450 2.289 30 10 JEEE CCN1CCN(CC#CCOC2CCN(C(=O)c3csc(-c4ccncc4)n3)CC2)CC1 1889487470 GAWCCELCSMOXRF-UHFFFAOYSA-N 453.612 2.467 30 10 JEEE CCN1CCN(CC#CCOC2CCN(C(=O)[C@@H](NC(=O)NC(C)(C)C)C(C)(C)C)CC2)CC1 1889703279 CGRSHOIGLLGXSB-JOCHJYFZSA-N 477.694 2.147 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCOC[C@@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2255876842 GIEGFRHYPCOUFJ-KGLIPLIRSA-N 452.382 2.459 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H]1C[C@@H]1NC(=O)OC(C)(C)C 2255933872 UYCDMBXISKYKKX-JKSUJKDBSA-N 452.382 2.238 30 10 JEEE Cc1nc(C(=O)N2C[C@H](C)C[C@@H](NC(=O)C(F)(F)F)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2267166840 YBRNXHGKWGBZKU-ZYHUDNBSSA-N 461.315 2.280 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@H]2[C@@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2268651017 MWPRLNRWPICLTQ-BFHYXJOUSA-N 464.397 2.233 30 10 JEEE COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1NC(=O)[C@@H](CO)CNC(=O)OC(C)(C)C 2268716734 PJIWLAMEWUXTFX-CQSZACIVSA-N 450.341 2.066 30 10 JEEE Cn1cc(C(=O)NCC2(F)CC(CNC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2281976162 XPDVAOHUFDKLRM-UHFFFAOYSA-N 466.363 2.092 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H]([S@@](C)(=O)=NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2282013527 AQDXQPLCQIJDFG-NJHFVCTFSA-N 480.396 2.023 30 10 JEEE CC(C)(C)OC(=O)N1CC2(CC[C@@H](CNC(=O)c3sncc3B3OC(C)(C)C(C)(C)O3)O2)C1 2282018686 ALPCKOJIXKUSPZ-AWEZNQCLSA-N 479.408 2.341 30 10 JEEE Cc1cccc(C(=O)N[C@H](C)C2(O)CN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2282107235 INPDOEHVAINOMA-MRXNPFEDSA-N 460.380 2.394 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)F 2282485942 NIYMMLIHJROINS-SJLPKXTDSA-N 460.334 2.215 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@]2(CCN(C(=O)c3ncsc3B3OC(C)(C)C(C)(C)O3)C2)C1 2282515568 SZAUHSCRPRNPDW-JOCHJYFZSA-N 479.408 2.294 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)Nc2ncccc2CNC(=O)OC(C)(C)C)n1 2282533132 HSNMVZMVKBPNAL-UHFFFAOYSA-N 457.340 2.391 30 10 JEEE CC[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282540105 DYHUXJYBGANPEA-DOTOQJQBSA-N 462.400 2.485 30 10 JEEE Cn1cc(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 2282554554 FXMYIZVWABPVAW-NPMXOYFQSA-N 460.384 2.048 30 10 JEEE C[C@H]1C[C@H](NC(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)CCN(C(=O)OC(C)(C)C)C1 2282564886 AVDHBGBVYONCPC-JKSUJKDBSA-N 462.400 2.485 30 10 JEEE C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)CCN1C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2282568867 JHDFLOZITVWPGN-HZPDHXFCSA-N 462.400 2.485 30 10 JEEE Cn1cc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC23CCC3)c(B2OC(C)(C)C(C)(C)O2)n1 2282579595 GYCSZWWTUDRDAE-INIZCTEOSA-N 460.384 2.239 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C2(CCC2)C1 2282625350 UHKZQUMIVRPBCJ-MRXNPFEDSA-N 458.368 2.438 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@H]1CN(C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)C2 2282701516 YBWVQKKUQAYAKA-HLLBOEOZSA-N 458.368 2.151 30 10 JEEE Cc1nc(NC(=O)c2cc(CNC(=O)OC(C)(C)C)[nH]n2)ncc1B1OC(C)(C)C(C)(C)O1 2283942269 GXSSFSSJADRPGC-UHFFFAOYSA-N 458.328 2.084 30 10 JEEE C[C@@H](c1nscc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)[C@H](CN(C)C)NC(=O)OC(C)(C)C 2283979474 NMJXUWUYHRCFEE-HOCLYGCPSA-N 482.456 2.417 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCO[C@@H]1C(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)ccc1F 2283981322 KZCHMVDQTBBLCZ-ROUUACIJSA-N 464.343 2.423 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CN(c3ncc(B4OC(C)(C)C(C)(C)O4)cc3F)C[C@@H]2[C@H]1CO 2284350126 IQZBTJUWRLBFNQ-QILLFSRXSA-N 463.359 2.184 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H]3C[C@@]3(CNC(=O)OC(C)(C)C)C2)n1 2288261564 UASQBMXMACUQDV-NPMXOYFQSA-N 460.384 2.189 30 10 JEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](C(=O)N2CC[C@@](C)(B3OC(C)(C)C(C)(C)O3)C2)C1 2342480246 BETGNPUYNRTOLS-YCRPNKLZSA-N 472.413 2.105 30 10 JEEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@@H]2CNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2359280043 WFKXYEADONMYTF-INMHGKMJSA-N 458.368 2.294 30 10 JEEE CO[C@@H]1[C@H](OC)CN(C(=O)OC(C)(C)C)[C@H]1C(=O)N[C@H]1CCC=C1B1OC(C)(C)C(C)(C)O1 2359395265 YIADYLKKTLVJHN-BSDSXHPESA-N 466.384 2.472 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@]1(F)C[C@@H](CNC(=O)OC(C)(C)C)C1 2362349132 WHSKSDUKBYIJQR-XLOAEROZSA-N 466.363 2.092 30 10 JEEE CC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2362352428 DHTLOYPGLFVBAN-CVEARBPZSA-N 462.400 2.485 30 10 JEEE CC(C)(C)OC(=O)NCC12CC(CCN1C(=O)c1ncc(B3OC(C)(C)C(C)(C)O3)cn1)C2 2366056360 IQIXUHGQDKVSJD-UHFFFAOYSA-N 458.368 2.295 30 10 JEEE CN(C)c1ccc(/C=N/Nc2nnc(SCC(=O)Nc3ccccc3[N+](=O)[O-])n2N)cc1 20527605 PRACMUHRHMTMLC-SRZZPIQSSA-N 455.504 2.143 30 10 JEEE CC(C)CCOc1ccc([C@H]2c3c(nc(N4CCC(C(N)=O)CC4)[nH]c3=O)NC(=O)[C@H]2C#N)cc1 72443928 WXTHHSDCDDRUSR-RBUKOAKNSA-N 478.553 2.120 30 10 JEEE Cn1ncc(C#N)c1NC(=O)c1cc(I)cc(I)c1O 701293347 XPZFJSBVGCUCNZ-UHFFFAOYSA-N 494.030 2.459 30 10 JEEE Cn1nc(CNC(=O)C#CCNC(=O)OCC2c3ccccc3-c3ccccc32)cc1C(=O)O 757539010 HAAYDJIFEAUGHF-UHFFFAOYSA-N 458.474 2.277 30 10 JEEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(NS(=O)(=O)/C=C/c3ccccc3)cc2)CC1 762222230 MHJFYHSNKFQGRP-LDADJPATSA-N 468.579 2.159 30 10 JEEE CC[C@H](C#N)Oc1cc(CNC(=O)N2CCC(C(=O)N3CCN(C)CC3)CC2)ccc1OC 1227522295 BOWFWLIQZGZHIC-HXUWFJFHSA-N 457.575 2.072 30 10 JEEE Cc1nn(C)c(N2CCN(C(=O)C[C@H]3C(=O)Nc4c(Br)cccc43)CC2)c1C#N 1269302507 AQQWQHOVILOWRB-CQSZACIVSA-N 457.332 2.137 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc2ccccc2s1 1286295753 KTMXJXQUJJHJAO-YJBOKZPZSA-N 459.597 2.332 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2CCc2nnc3n2CCCCC3)c1 1286311204 DTGAMHRSXQXXNI-UHFFFAOYSA-N 476.585 2.431 30 10 JEEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1286348223 HKPVDIQVSSPTPM-GOSISDBHSA-N 461.570 2.346 30 10 JEEE C#CCN(c1nnc([C@@H](C)CC)n1CCN(C)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1286384345 IDERUNLJTIQOQN-DLBZAZTESA-N 453.609 2.285 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CC1(S(C)(=O)=O)CCC1)[C@@H]1CCS(=O)(=O)C1 1286387619 GYWMOZJRZQTTDG-HXUWFJFHSA-N 490.651 2.102 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC(C)(C)N[C@@H](C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1286388858 CGQVERPVGBKMOS-UGKGYDQZSA-N 495.653 2.435 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCCn1cc(Br)cn1 1286430280 GMBDODPDENOZHP-QGZVFWFLSA-N 493.431 2.083 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@@H](C)CNC(=O)OC(C)(C)C)CC1 1286490070 KWAIRUGLLZDVAM-SFHVURJKSA-N 481.601 2.467 30 10 JEEE C=C(Br)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1286535232 MUUSGICMKUODTA-MRXNPFEDSA-N 475.347 2.335 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCN(c2nccnc2C)CC1 1286550075 CBWWZXVZJNLTCM-NJYVYQBISA-N 471.606 2.408 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc[nH]2)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1286564204 XGYFBFKTMJBYFL-HBFSDRIKSA-N 463.604 2.284 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCC1(C)C 1286773408 NKGBTVMTZULKPF-MSOLQXFVSA-N 455.625 2.076 30 10 JEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1C[C@@H](c2ccccc2)C[C@H]1C 1286824496 ZSDHNTFUWVVGFT-QUCCMNQESA-N 457.600 2.384 30 10 JEEE CC(C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCS(=O)(=O)c1ccccc1 1287217784 DDHGIZOMEMZQOX-SFHVURJKSA-N 480.598 2.252 30 10 JEEE CCOCC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1296995316 HIKQYWTYBLRZIN-KRWDZBQOSA-N 460.604 2.350 30 10 JEEE C#CCCCn1c(N2CCCN(S(=O)(=O)c3ccccc3)CC2)nnc1[C@@]1(OCC)CCOC1 1300424505 ITBIVTQPIPVEKG-XMMPIXPASA-N 487.626 2.245 30 10 JEEE C#CCN(c1nnc(CC2CCCC2)n1Cc1ccc(OC)c(O)c1)[C@@H]1CCS(=O)(=O)C1 1300501363 KMAYKSCBCFJXAM-LJQANCHMSA-N 458.584 2.400 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2c(F)cccc2Cl)CC1 1300711362 ZATSPLUECREYKK-UHFFFAOYSA-N 472.952 2.321 30 10 JEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC([C@H]2CCCO2)CC1 1301187789 BXWBMLHDVKLBKD-UXHICEINSA-N 467.636 2.363 30 10 JEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2cc(OC)c(OC)cc2CC1 1301196649 HFXVAODINNWPOL-INIZCTEOSA-N 463.604 2.477 30 10 JEEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 1301510160 UKHYXRSPDPRTPG-GOSISDBHSA-N 476.940 2.073 30 10 JEEE C=CCNC(=O)Cn1c(N2CCN(CCOC)[C@H](C)C2)nnc1C1(c2ccccc2)CCC1 1301520429 GSJSPGAZABOEHI-HXUWFJFHSA-N 452.603 2.207 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2CCN(C(C)=O)CC2)C1 1301544035 SXENJWLDJNZINN-OAQYLSRUSA-N 487.626 2.388 30 10 JEEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCO[C@H]1C(C)(C)C 1303640090 HQUHFCMYLAYATR-AKHDSKFASA-N 482.651 2.191 30 10 JEEE Cc1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(N(C)S(C)(=O)=O)CC2)on1 1304897824 BWJXUFYZMHQLCD-UHFFFAOYSA-N 455.544 2.022 30 10 JEEE CC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1)OC 1305816882 CEHCDPMSSFTSIY-UGKGYDQZSA-N 465.602 2.375 30 10 JEEE Cn1cc(C(=O)NCC2CCN(C(=O)Nc3ccn(-c4cccc(F)c4C#N)n3)CC2)cn1 1310545004 COKOYUWDADDFBN-UHFFFAOYSA-N 450.478 2.290 30 10 JEEE CO[C@H](C)c1nc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@H](C(N)=O)C2)cs1 1315150017 GJTWEYNNCUODAV-ZBFHGGJFSA-N 467.555 2.253 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Cl)n1CC1(CS(C)(=O)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1358959845 QSXJQQZLLOLAAC-MRXNPFEDSA-N 497.042 2.050 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1ccnc(SCC)c1)[C@@H]1CCS(=O)(=O)C1 1358964593 BVQRHBHJVJSUSY-HXUWFJFHSA-N 482.635 2.446 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1358966994 BDKUPJYTSNOOGZ-WPVAHCMFSA-N 450.605 2.065 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC[C@H]2C[C@H](F)C2)CC1 1359031907 UAXVWNNAVLBBOB-KESTWPANSA-N 474.606 2.089 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CC2(N(C)C)CCCCC2)CC1 1359038445 WQCBZKPIDPIEHO-UHFFFAOYSA-N 469.659 2.289 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cccnc2OCCC)C1 1359321793 LSEJRRJJKVQWBH-RTBURBONSA-N 461.588 2.194 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC(NC(=O)Nc2ccccc2)CC1 1359331189 PZLBFMKGRGDDRL-UHFFFAOYSA-N 496.597 2.126 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCc2cc(OC)c(OC)cc2CC1 1359333854 MFQMSGYOGBEIGA-UHFFFAOYSA-N 497.621 2.487 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H]1CCOC1 1359335986 AMVTUWNTCILDAZ-IRXDYDNUSA-N 469.608 2.176 30 10 JEEE COc1ccc(CCNC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)cc1OC(F)F 1442836328 GMLHDOBXAGNZOM-ZDUSSCGKSA-N 453.467 2.194 30 10 JEEE C=CCOc1ccc(CC(=O)N2CCN([C@@H]3CCCN(c4cc(C)nn4C)C3=O)CC2)cc1 1458858195 CDUJTMLFQUZPIH-JOCHJYFZSA-N 451.571 2.176 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCS(C)(=O)=O)c1 1507552432 ORDPEBNEKBBDOH-TZIWHRDSSA-N 487.626 2.298 30 10 JEEE C#CCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1507574362 NDVXCEPTQUEQMX-QHCPKHFHSA-N 494.640 2.429 30 10 JEEE C#CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1507577374 RQCJHBTUOGPFHN-UHFFFAOYSA-N 467.570 2.451 30 10 JEEE C#CCN(c1nnc(-c2ccccc2)n1CCCOC[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1507628224 HHDCKGSSQCJFJG-FPOVZHCZSA-N 458.584 2.015 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccccc1OCC(C)C)[C@@H]1CCS(=O)(=O)C1 1507633704 UQZOVAZFBPZZLR-NHCUHLMSSA-N 472.611 2.492 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1Cc1cc(C)no1)[C@H]1CCS(=O)(=O)C1 1507638043 CWKYFANDKMXBPR-SFHVURJKSA-N 455.540 2.137 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ccccc1C(C)C 1507671825 QDYMUAPMAVKBGG-HSZRJFAPSA-N 499.637 2.276 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2ccc(OC)nc2)CC1 1507734659 SRTZNPNCZVGUBJ-UHFFFAOYSA-N 498.385 2.453 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCN(Cc2ccccc2C)CC1 1508144273 OTLXRFNQECLXGP-UHFFFAOYSA-N 480.638 2.495 30 10 JEEE CC(=O)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCOC2CCOCC2)CC1 1508220987 NTNGROMQKDDBED-UHFFFAOYSA-N 452.559 2.461 30 10 JEEE CC[C@H](C)[C@@H](Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCO[C@H](C#N)C1)OC 1512752213 FTLNPYPTIUFVEJ-SQGPQFPESA-N 465.558 2.465 30 10 JEEE CCOC(=O)N(C)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)CC)CC1 1516036963 CAQXCWUAQOMNFC-UHFFFAOYSA-N 474.587 2.309 30 10 JEEE CC[C@H](C#N)Oc1cccc(CNC(=O)c2ccc3c(c2)S(=O)(=O)N(CCOC)C3=O)c1 1531640561 CCXQMRSEKWTJEW-QGZVFWFLSA-N 457.508 2.088 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1Cc1c(C)nn(C)c1C)[C@H]1CCS(=O)(=O)C1 1539210216 BUJHXXXJZLQAQB-IBGZPJMESA-N 452.584 2.279 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@H]1CCC2(C1)OCCO2)[C@@H]1CCS(=O)(=O)C1 1539220878 VVHNYBIGPMRACH-ZWKOTPCHSA-N 450.605 2.037 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(F)ccc2Br)n1CCN/C(O)=C1/N=CC=CC1=O 1539242021 NBMCYNHSKJVQJY-VZCXRCSSSA-N 497.328 2.446 30 10 JEEE C#CCN1CCN(c2nnc(CC3CCCC3)n2CCCNC(=O)c2cccc(O)c2)CC1 1539454014 GKYVKGSEEZETCB-UHFFFAOYSA-N 450.587 2.292 30 10 JEEE C=C(Br)Cn1c(N(CC)CCS(C)(=O)=O)nnc1[C@]1(OC(C)C)CCOC1 1539608931 HLOPWPXFBZTXJZ-KRWDZBQOSA-N 465.414 2.098 30 10 JEEE C=C(C)COCCn1c(N2CCN3C(=O)OC[C@@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1539760191 XOZQRDNPZVPHIY-KSZLIROESA-N 476.578 2.282 30 10 JEEE C#C[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1)C1CCOCC1 1539808201 POBORJHEXLEFOA-CLCXKQKWSA-N 454.976 2.296 30 10 JEEE C=CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1540007147 YPRYUHFHKQVOMR-ROUUACIJSA-N 498.650 2.023 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1540864106 PHJKNAMJRGOHJV-DLBZAZTESA-N 473.375 2.257 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)CCN1CCOCC1 1540864898 OLLZRFZMKZPKKB-UHFFFAOYSA-N 458.632 2.346 30 10 JEEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@H](C)N(CC)C[C@@H]2C)cc1 1540877278 PITRDHKOZAKKRM-FHWLQOOXSA-N 476.647 2.420 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc3ccccc3o2)nnc1N1CCCN(C(C)=O)CC1 1540899410 NABCOXMLWMIRCY-UHFFFAOYSA-N 457.556 2.351 30 10 JEEE Cc1ccc(C(C)C)c(OCc2nnc(N(C)C[C@@H](C)C#N)n2C[C@]2(O)CCS(=O)(=O)C2)c1 1542249619 BNOXHOLUDXTPEF-FDDCHVKYSA-N 475.615 2.434 30 10 JEEE CC[C@H](C)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1)OC 1545282118 CEFMFZLKXJKTCJ-FXAWDEMLSA-N 460.604 2.350 30 10 JEEE CCc1nn(C)c(Cl)c1CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N(C)C)CC1 1546392607 GDEYLJRSQCEOHV-UHFFFAOYSA-N 496.019 2.176 30 10 JEEE N#Cc1ccc(N2CCN(S(=O)(=O)c3cc(F)cc(F)c3)C[C@H]2C(N)=O)cc1C(F)(F)F 1548367471 CEDDIKSLYIIOIW-KRWDZBQOSA-N 474.411 2.220 30 10 JEEE CN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1Cc1cccnc1OCC(F)F 1554316211 FDRNQNFZYUQSOY-UHFFFAOYSA-N 476.509 2.385 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(c2ccc(F)cc2)CCOCC1 1587561727 HLSWZKVWKHMDHD-IAGOWNOFSA-N 463.579 2.234 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccsc3)n2C[C@H]2COCCO2)c1 1587697573 TUKDKAGGPKZEFQ-FQEVSTJZSA-N 451.552 2.402 30 10 JEEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)C1CCC(NC(C)=O)CC1 1587847995 WPKOANGYXLFMPF-UHFFFAOYSA-N 461.570 2.489 30 10 JEEE C#CCN(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1CCN1CCN(C(C)=O)CC1 1588006562 NOXXWRIFUXHQDC-UHFFFAOYSA-N 473.021 2.485 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(OCC)cc1)[C@@H]1CCS(=O)(=O)C1 1588073785 DXGRIALHWIVECD-VWPQPMDRSA-N 488.610 2.076 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@H](C)COC)CC1 1588812205 QOSCDHFYEJZZSZ-WOJBJXKFSA-N 460.623 2.430 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCCOCC(F)F)CC1 1588930326 SRKYSHKHZYMUCP-FQEVSTJZSA-N 489.523 2.428 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCN(C2CCOCC2)CC1 1589495124 PKHYSXVXTMTJGB-SJBKTWHCSA-N 463.623 2.284 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(C)(C)N2C[C@H](C)O[C@H](C)C2)CC1 1594097342 RFFIELJEDBHGKP-CEXWTWQISA-N 451.637 2.224 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](c2ccc(F)c(F)c2)C1 1595607983 NZSKWHIORZJPCT-SCWSEQNSSA-N 477.512 2.160 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1595776584 BTJCFGJXHANZSI-DENIHFKCSA-N 489.642 2.102 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N(C)C[C@@H]1COc2ccccc2O1 1595784525 HZSZBENZLQSRPX-QGZVFWFLSA-N 455.540 2.217 30 10 JEEE CCc1ccc(-c2nnc(N3CCN(c4nccnc4C#N)C[C@H]3C)n2CC(=O)NC(C)C)cc1 1613784387 CIFYGHAYEFISCD-GOSISDBHSA-N 473.585 2.409 30 10 JEEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C(=O)OCC)c2ccc(OC)c(F)c2)cc1 1638862807 FHPIXDYUDXRWBP-IBGZPJMESA-N 450.488 2.333 30 10 JEEE C=CCC1(O)CN(C(=O)CCSCc2nc(=O)c3c(C)c(C(=O)OCC)sc3[nH]2)C1 1644589665 YSCLIBMMACJLCW-UHFFFAOYSA-N 451.570 2.242 30 10 JEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@@H]3CCC[C@H]([S@](C)=O)C3)nnc12 1651144020 ULAKICHAAKLWDN-GXKTYZIESA-N 459.597 2.128 30 10 JEEE C[C@H](C(=O)Nc1ncccc1O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)c(Br)c1 1656477755 HTFWZUYFOKAGOB-WDEREUQCSA-N 453.318 2.363 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cn2cc(Cl)cc(Cl)c2n1 1689826967 XQOBCDKLQJGZKA-NEPJUHHUSA-N 470.386 2.349 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2CCC(OC)CC2)c1 1689872414 YDZDRRCUYJMTQL-FUHYEJFZSA-N 499.637 2.442 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@H](c1ccc(F)cc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1689994275 VKZUXUXCGGKQRG-DHIUTWEWSA-N 496.612 2.333 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CC1(CC)CCC1)[C@H]1CCS(=O)(=O)C1 1689998082 BDNDIKMXOHQWKV-FHWLQOOXSA-N 450.605 2.209 30 10 JEEE C#CCN1CCN(c2nnc([C@H](CC)c3ccccc3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1690113357 HJFNLPVMWAMDGZ-VXJVBQPQSA-N 473.581 2.102 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@H]2NC(=O)CC2(C)C)CC1 1690152319 HDZWQZYPSWGTEK-JOCHJYFZSA-N 492.624 2.354 30 10 JEEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1690170582 NHZWBEJONKLZSZ-ZWKOTPCHSA-N 465.627 2.477 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1CCCS(=O)(=O)Cc1ccccc1 1690210680 HQJZGSNCMJHKOZ-XMMPIXPASA-N 469.611 2.398 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H]1CCN(Cc2ccccc2)C1 1690288350 STNMJPUJYLPOLC-FCHUYYIVSA-N 488.658 2.145 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@H](n2cncn2)C1 1690663646 COGUSBMYSCGGKS-INIZCTEOSA-N 456.938 2.342 30 10 JEEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(C)Cc1cc(OC)c(OC)cc1C 1690668966 OXTKDPIUSMWYMP-UHFFFAOYSA-N 482.541 2.270 30 10 JEEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H]1c1ccc(OC)cc1OC 1690675368 YJWAPQGRDQXRFL-IBGZPJMESA-N 468.558 2.061 30 10 JEEE C=CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1690737303 HURZAOQKAHFFRI-UHFFFAOYSA-N 472.615 2.447 30 10 JEEE C[C@H]1CC[C@@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2CCNS(=O)(=O)Cc2ccon2)C1 1693602448 DJPMSQBHLQEPQE-ZWKOTPCHSA-N 499.597 2.461 30 10 JEEE C[C@@H]1COCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1693846133 DGXBBTHKSRPASU-YFVAEKQCSA-N 473.599 2.415 30 10 JEEE CC[C@@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC1(S(C)(=O)=O)CCC1 1694125600 DZHUPSQWRKOOBK-IAGOWNOFSA-N 472.619 2.136 30 10 JEEE CCN(CC)CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)OC)CC1 1695643548 BIMDVYWROMUANH-UHFFFAOYSA-N 453.591 2.232 30 10 JEEE CCN1C[C@H](C)N(c2nnc(-c3cccc(C#N)c3)n2CC2(C(N)=O)CCOCC2)C[C@H]1C 1695802583 BLOSSBRAMUXWGR-MSOLQXFVSA-N 451.575 2.018 30 10 JEEE CCO[C@H](CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)CC1)C(C)C 1696000283 FKOSTCITERVOSO-HXUWFJFHSA-N 460.604 2.350 30 10 JEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CC[C@H](C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1705558727 GSNJWAAYEOGFGO-PZJWPPBQSA-N 469.611 2.335 30 10 JEEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1cccc(CS(C)(=O)=O)c1)[C@H]1CCS(=O)(=O)C1 1705562015 XMZWKHXRZLKELJ-PXNSSMCTSA-N 478.640 2.011 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccccc2F)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1705594850 UDVQOCTZFUVORJ-JOCHJYFZSA-N 450.562 2.490 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC2(CS(C)(=O)=O)CC2)CC1 1705640052 CKJITISEWNDJRD-UHFFFAOYSA-N 462.019 2.102 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2csc(COC)n2)CC1 1705642081 GGSGAYODDVRXBG-UHFFFAOYSA-N 463.567 2.135 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Cl)n2CCN2CCOC[C@@H]2C)CC1 1705648995 GOFDJGVLNDHKKE-SFHVURJKSA-N 471.005 2.285 30 10 JEEE C=C(C)COCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1705732199 QZHNCJTXOLFQDC-NRFANRHFSA-N 470.599 2.414 30 10 JEEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1705734493 QSXKRCXBHQQSFF-UHFFFAOYSA-N 455.485 2.166 30 10 JEEE C=C(C)COCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1705737040 IQHMRSMKRHYJSU-AQNXPRMDSA-N 495.621 2.419 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1705898669 SURQMGAQTQBMOP-CYBMUJFWSA-N 457.888 2.369 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CCC[C@H](N2CCCC2=O)C1 1705908228 LGSKRGYCINGBSM-FQEVSTJZSA-N 466.586 2.313 30 10 JEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 1705947046 YLPIZOTWCJJOOE-DOTOQJQBSA-N 494.639 2.170 30 10 JEEE C[C@H](CC#N)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1706743656 DDTBGPDKQFZPAM-SJORKVTESA-N 468.587 2.355 30 10 JEEE CNC(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC[S@@](=O)C(C)(C)C)C1 1711347700 FCNPDWKOFPYTGN-RTHCMUBDSA-N 472.615 2.238 30 10 JEEE CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(F)(F)F)C1 1711425131 HSXOARHOBJTWJS-OAHLLOKOSA-N 472.493 2.057 30 10 JEEE COc1cccc(-c2nnc(N3CCC(C#N)CC3)n2CCS(=O)(=O)N2CCSCC2)c1 1711904408 AENYHCPRBSCMRV-UHFFFAOYSA-N 476.628 2.072 30 10 JEEE COCC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCC(F)(F)C2)CC1 1712106767 DXKBLSMZARTJMG-GOSISDBHSA-N 474.512 2.459 30 10 JEEE C[S@](=O)C1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(CC(F)(F)F)CC2)CC1 1712713527 CGZDSMKKRWHJEB-HKBQPEDESA-N 452.506 2.412 30 10 JEEE C#CCN(c1nnc(-c2ccccc2)n1CCN(C)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1722360594 AYSQEDYWBUWIKW-LJQANCHMSA-N 473.599 2.439 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1cccc(C(F)(F)F)n1)[C@@H]1CCS(=O)(=O)C1 1722365929 GISXAELTXFSDQL-DOTOQJQBSA-N 483.516 2.261 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2ccc(F)cc2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1722382395 BVLFYWIJRRYXCG-IFMALSPDSA-N 469.586 2.285 30 10 JEEE C#CCN1CCN(c2nnc(CCCOc3ccc(Cl)cc3C)n2C[C@]2(C)CN(C)C2=O)CC1 1722442011 VTOVQIWTOHRCNR-VWLOTQADSA-N 485.032 2.485 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2CCN(CCC)C2)CC1 1722443622 LLLLDYZGJZRRTK-RLWLMLJZSA-N 486.661 2.016 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCC2CCC(OC)CC2)CC1 1722443970 RPALMMBEYROUIT-YDJYNLAZSA-N 487.645 2.491 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCN1CCOC1=O 1722468535 PRZJGNCKURJRGY-HSZRJFAPSA-N 486.598 2.030 30 10 JEEE C=C(Br)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1722486584 AIZLSBSUGVSKEC-OLZOCXBDSA-N 481.376 2.113 30 10 JEEE C=C(Br)Cn1c(Cn2nc(C)cc2C)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1722486827 FMBHRHOCJGJXIK-KRWDZBQOSA-N 450.385 2.353 30 10 JEEE C=CCN(c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCNS(C)(=O)=O)C1CC1 1722649814 YSBBUIVETQFCJY-QGZVFWFLSA-N 482.651 2.487 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCN(c2ncccc2F)CC1 1722705438 DAXRUBZAWMPYEP-UHFFFAOYSA-N 481.532 2.029 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCO3)n2CCNS(=O)(=O)c2ccc(C)s2)C1 1722725049 KYQXSAXGOREDBF-DLBZAZTESA-N 467.617 2.259 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCC(Cn2cc(C)cn2)CC1 1722729776 WXQKUSJURTTZPW-UHFFFAOYSA-N 469.615 2.286 30 10 JEEE Cc1ccc([C@@H](Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@H](C#N)C2)N(C)C)cc1 1724262236 GSZFWAFRRNXEKP-WOJBJXKFSA-N 460.542 2.266 30 10 JEEE COC(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN(C)CC(F)(F)F)C1 1729777535 DOBCDMQNMURRHQ-MRXNPFEDSA-N 466.464 2.222 30 10 JEEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)CCO1 1730609038 GBPBDDAZNKNAPC-JTAQYXEDSA-N 498.628 2.468 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CC(C)(C)OCC)c1 1740563785 WZQYFJCCJZDDBS-UHFFFAOYSA-N 452.559 2.385 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(F)c(Cl)c1 1740591942 RLMLRIYFIACBMK-SFHVURJKSA-N 469.970 2.453 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CC1(OC)CCCC1)[C@H]1CCS(=O)(=O)C1 1740619099 FZRHMYJGSLGROC-FQEVSTJZSA-N 453.568 2.403 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1CCc1ccc(N(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 1740622111 UNWHIUCSQIVJQQ-JOCHJYFZSA-N 464.595 2.276 30 10 JEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](c2noc(C(C)C)n2)C1 1740709384 MTSVQNBBPWSRTR-JKSUJKDBSA-N 481.648 2.145 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@H](CN2CCOCC2)C1 1740988538 INJFIJLAIPEJFQ-QGZVFWFLSA-N 498.024 2.497 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC(NC(=O)c2ccsc2)CC1 1740989520 PLZQUJUBXXIHNO-UHFFFAOYSA-N 486.623 2.401 30 10 JEEE CCc1nnc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(NC(C)=O)CC2)s1 1744518365 BCMJATKGVIDMRG-UHFFFAOYSA-N 466.571 2.296 30 10 JEEE C#CCCCn1c(Cc2ccccc2OC)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1748755955 FCMMTZZQQWMMOB-UHFFFAOYSA-N 451.571 2.366 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H](C(CC)CC)N(C)C)[C@@H]1CCS(=O)(=O)C1 1748812124 QNLFNUZVGNNPJN-CTNGQTDRSA-N 460.648 2.277 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H](OC)c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1748816067 WLWWOCBFCVUXJE-HMXCVIKNSA-N 476.574 2.326 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1748857479 AKHMABWVNONUSW-WOVHNISZSA-N 499.612 2.388 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC(=O)N[C@@H](C)CC 1748945047 KYKSVXMDNJRSQY-HKUYNNGSSA-N 475.590 2.264 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1748993349 WDRGSZUZCLNBRJ-LJQANCHMSA-N 462.019 2.102 30 10 JEEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1749048742 ANEGQRBWQASPHT-ROUUACIJSA-N 465.620 2.426 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(c2nccs2)CC1 1749119147 NXLOHNDJLHRWNM-KURKYZTESA-N 495.675 2.043 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](COC)C1 1749368616 NURLGVTUJYEJHP-QZTJIDSGSA-N 455.625 2.076 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC(Cn2cccn2)CC1 1749651175 PAKDLOZZZMCJEY-UHFFFAOYSA-N 497.003 2.277 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(COc3cccc(C)c3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1749717898 QJHNEAVBIWTESE-FPOVZHCZSA-N 475.615 2.228 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1749730746 PBHSGTYEUDVHIF-UHFFFAOYSA-N 491.621 2.443 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1Cc1nc(C)cs1)[C@H]1CCS(=O)(=O)C1 1760193040 RPRYFSYITRZIBY-INIZCTEOSA-N 475.571 2.436 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H]1CC(F)(F)CO1 1760247917 VGCLLCNAMZYDEO-INIZCTEOSA-N 472.496 2.185 30 10 JEEE C#CCN1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCNC(=O)OC(C)(C)C)CC1 1760259457 BPONSSPIRUWPOO-UHFFFAOYSA-N 476.585 2.411 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC2CC2)CC1 1760273292 NWKZTFAMXNTJFF-KDURUIRLSA-N 456.591 2.425 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)c1cc(OC)cc(OC)c1 1760280695 HRUDTCHFDOXBEW-HNNXBMFYSA-N 450.586 2.332 30 10 JEEE C=C(C)Cn1c(Cc2ccccn2)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1760346970 TZGHPCAMCHJVFC-UHFFFAOYSA-N 452.584 2.492 30 10 JEEE C=C(Cl)Cn1c(-c2cc(Br)cn2C)nnc1N1CCN(CC(=O)NC(C)C)CC1 1760367051 BOTJIQKSEHESRC-UHFFFAOYSA-N 484.830 2.445 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(C(C)(C)O)cc2)CC1 1760402156 ICXRJBYOUUJVSB-OAQYLSRUSA-N 489.642 2.289 30 10 JEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nc(C(C)(C)C)cs1 1760464923 RXCIBSDIHLBWQJ-CQSZACIVSA-N 454.622 2.036 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N(C)Cc1cc(Br)cs1 1760515488 VKHSOWRARZDDDS-UHFFFAOYSA-N 455.382 2.179 30 10 JEEE C=CCSCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC(C(=O)NC)CC1 1760559824 LDPPWBKMZGXHHS-UHFFFAOYSA-N 491.687 2.428 30 10 JEEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1-c1cnn(C)c1 1761362392 BVVPBZBJQBZDMH-SJLPKXTDSA-N 453.572 2.367 30 10 JEEE CCOCc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CCN1CCN(C)C(C)(C)C1 1767965238 CDWWGFPEDTVWQU-UHFFFAOYSA-N 480.661 2.034 30 10 JEEE C=CCNC(=O)NS(=O)(=O)c1ccc(CNC(=O)/C=C/c2ccc(OC)c(OC)c2)cc1 1858645984 ATPPXPWOSRKVOF-XYOKQWHBSA-N 459.524 2.207 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCNC(C)=O)[C@H]2c2ccc3c(c2)OCCO3)cc1C 1862404569 FCLKIKCEAVRTEE-QFIPXVFZSA-N 466.490 2.489 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@H]2c2ccc(O)c(OC)c2)cc1C 1862404744 GOHLUKMEFGQUJK-NRFANRHFSA-N 454.479 2.432 30 10 JEEE C=CCN(CC=C)c1nc(=NCc2ccc(S(N)(=O)=O)cc2)[nH]c(=Nc2ccc(F)c(F)c2)[nH]1 1871685590 QCRLFQXAQULRJV-UHFFFAOYSA-N 487.536 2.175 30 10 JEEE CC(=O)NCc1nnc(SCCO)n1/N=C/c1cc(Br)cc(Br)c1O 1874436339 WVOCGCGTAMJSQV-NGYBGAFCSA-N 493.181 2.111 30 10 JEEE N#Cc1ccnc(O[C@H]2CCN(C(=O)[C@H]3CCCN3S(=O)(=O)c3cccc(Cl)c3)C2)c1 1890194247 KWNHWTBDLUFRHT-PKOBYXMFSA-N 460.943 2.440 30 10 JEEE CCN(CC)c1cccc(OCC#CCNC(=O)c2cc(S(N)(=O)=O)cc(OC)c2OC)c1 1891164264 ZKDAKYUDIVPJHB-UHFFFAOYSA-N 475.567 2.010 30 10 JEEE COc1cccc(S(=O)(=O)NCc2ccc(C(=O)N3CC(Oc4cccnc4C#N)C3)cc2)c1 1891904186 MLEMDWOTVKCONZ-UHFFFAOYSA-N 478.530 2.344 30 10 JEEE CCNc1ncnc(-n2cnc(I)c2I)c1C#N 2038218694 ZGZJPNIAXUGAAM-UHFFFAOYSA-N 466.024 2.175 30 10 JEEE CC1(C)OB(c2cccc(C(=O)NCCn3cc(I)cn3)c2)OC1(C)C 2199704254 PCOFQHYGUFDYGW-UHFFFAOYSA-N 467.116 2.217 30 10 JEEE C[C@@H](CNC(=O)OC(C)(C)C)CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2247951282 HOWFQJMOKYEDBB-ZDUSSCGKSA-N 460.427 2.486 30 10 JEEE C[C@@H](CNS(=O)(=O)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)NC(=O)OC(C)(C)C 2255795027 RKFDVSCVRHBOHT-HNNXBMFYSA-N 454.398 2.318 30 10 JEEE CN(C[C@@H](O)COCc1ccccc1)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2255795690 XNHSWEQQOJVLDS-QGZVFWFLSA-N 467.418 2.246 30 10 JEEE CN(CC1CN(C(=O)OCc2ccccc2)C1)C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2256067165 LUUCPJCPQVWKGZ-UHFFFAOYSA-N 466.347 2.116 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](CCC(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2256622306 FWCVNVKDEKORKC-ZDUSSCGKSA-N 452.386 2.235 30 10 JEEE Cc1nc(C(=O)N2CCC[C@H](NC(=O)C(F)(F)F)[C@@H]2C)c(B2OC(C)(C)C(C)(C)O2)s1 2267168739 FGASZWWJSMIVPS-JQWIXIFHSA-N 461.315 2.422 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CC[C@H]1NS(=O)(=O)c1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2267468682 XOAANHQAXPMWSN-DLBZAZTESA-N 470.372 2.459 30 10 JEEE CN(C[C@@H]1COCCN1C(=O)OC(C)(C)C)C(=O)c1occc1B1OC(C)(C)C(C)(C)O1 2267487904 QXZLXFZQMSIPNS-OAHLLOKOSA-N 450.341 2.287 30 10 JEEE Cc1sc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)c(C)c1B1OC(C)(C)C(C)(C)O1 2267576031 KSQVBDDPHDEKMQ-LSDHHAIUSA-N 466.409 2.374 30 10 JEEE CC(C)(C)OC(=O)N(CCO)CC(=O)Nc1ccc(F)c(F)c1B1OC(C)(C)C(C)(C)O1 2268631837 DAHDXTRFZZPSLZ-UHFFFAOYSA-N 456.295 2.432 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](C(F)(F)C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2268717077 WSPPURFUGDYNDR-LLVKDONJSA-N 474.339 2.090 30 10 JEEE C[C@H](OCc1ccccc1)[C@@H](NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2269035620 AYNJNBYIVGECBG-WMLDXEAASA-N 481.401 2.384 30 10 JEEE Cc1c(C(=O)N[C@@H]2C[C@@H](NC(=O)OC(C)(C)C)C2(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281801689 ULXOHCHTZSPGES-HUUCEWRRSA-N 462.400 2.449 30 10 JEEE CC(C)n1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N(Cc1ccccc1)CC1(O)CNC1 2281812588 VJFJASYOHVVFEE-UHFFFAOYSA-N 453.392 2.345 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(C)CCC1CN(C(=O)OC(C)(C)C)C1 2281998176 LLQWCZUMYUUNKK-UHFFFAOYSA-N 462.400 2.357 30 10 JEEE CC1(C)OB(c2nscc2C(=O)N2C[C@@H](CNC(=O)C(F)(F)F)C3(CCC3)C2)OC1(C)C 2282004740 LNLJOCPUBOUBJX-GFCCVEGCSA-N 473.326 2.363 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCCCCC2CN(C(=O)OC(C)(C)C)C2)n1 2282033252 QSMPILGCMGAFCO-UHFFFAOYSA-N 462.400 2.486 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CC[C@@H](NC(=O)C(F)(F)F)C[C@@H]1C 2282110005 LVGWYYVSNAHYTA-DZGCQCFKSA-N 457.302 2.479 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)CC[C@H]1CO 2282180613 VPOCJVJNIMXRQC-PKOBYXMFSA-N 460.380 2.334 30 10 JEEE Cc1cc(S(=O)(=O)NC[C@H]2CCCN(C(=O)C(F)(F)F)C2)sc1B1OC(C)(C)C(C)(C)O1 2282305512 ZPAOGEZWCQGSBP-CYBMUJFWSA-N 496.382 2.435 30 10 JEEE CO[C@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2F)C[C@H]1NC(=O)OC(C)(C)C 2282403841 YPNWKSZYUBRTSD-MSOLQXFVSA-N 464.343 2.489 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C2(CCC2)C1 2282536646 FYNOPZOMYLNQSU-HNNXBMFYSA-N 460.384 2.381 30 10 JEEE Cn1ncc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)CC2(F)F)c1B1OC(C)(C)C(C)(C)O1 2282538676 JFZLZVNAIDVMMA-CQSZACIVSA-N 470.326 2.094 30 10 JEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2CN(Cc3ccccc3)CC2(C)C)n1 2282612907 WTTFYRLYPQEMID-SFHVURJKSA-N 453.396 2.002 30 10 JEEE Cc1cc(S(=O)(=O)NN2CCN(C(=O)OC(C)(C)C)CC2)ccc1B1OC(C)(C)C(C)(C)O1 2282830240 QWMQJGZOOHAZOF-UHFFFAOYSA-N 481.424 2.040 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H]1CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(O)cc1O 2282973921 FJSILWKEEROJBA-UONOGXRCSA-N 462.352 2.288 30 10 JEEE CO[C@H](CNC(=O)OC(C)(C)C)C(=O)N1CCc2cc(B3OC(C)(C)C(C)(C)O3)ccc2C1 2283968437 KPPQZHZSIBAHPH-LJQANCHMSA-N 460.380 2.410 30 10 JEEE CC(C)(C)OC(=O)N1CC(O)([C@H](F)C(=O)Nc2ccc(Cl)c(B3OC(C)(C)C(C)(C)O3)n2)C1 2284062591 MCPSPQNMWUYLNO-CQSZACIVSA-N 485.749 2.293 30 10 JEEE Cc1cnc(C(=O)N(CCNC(=O)OC(C)(C)C)C[C@@H](C)O)c(B2OC(C)(C)C(C)(C)O2)c1 2285397427 GNXCFHOIBILXDG-MRXNPFEDSA-N 463.384 2.037 30 10 JEEE CN(C(=O)c1sncc1B1OC(C)(C)C(C)(C)O1)[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1F 2320556577 XDWLHJRTBLLRFL-KGLIPLIRSA-N 455.361 2.472 30 10 JEEE CCCOc1c(C=Nn2c(SCC(N)=O)nnc2[C@@H]2CC(=O)N(C(C)C)C2)cccc1OC 2329013055 LUFYSCKAKZSMKV-MRXNPFEDSA-N 474.587 2.259 30 10 JEEE CCOc1cc(C=Nn2c(SCC(N)=O)nnc2C2CC2)ccc1OCC(=O)N(CC)CC 2331737751 CLUZUPQKOVILFC-UHFFFAOYSA-N 474.587 2.261 30 10 JEEE CC1=C(B2OC(C)(C)C(C)(C)O2)CCN(C(=O)[C@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C)C1 2335408093 GPCMQWIUHKTQAE-INIZCTEOSA-N 472.413 2.105 30 10 JEEE CCN(CCN(C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nc(C)n1C)C(=O)OC(C)(C)C 2337184573 HIXBHYKMOVOCOF-UHFFFAOYSA-N 450.389 2.357 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)CC23CC3)n1 2361541161 CUMUSNMLZTVRFR-HNNXBMFYSA-N 460.384 2.096 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCc2scc(B3OC(C)(C)C(C)(C)O3)c2C1)C1COC1 2361637320 GAEMRAJATWBZEJ-GOSISDBHSA-N 478.420 2.472 30 10 JEEE CC(C)(C)OC(=O)N1C[C@](C(=O)O)(N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C[C@]12CCOC2 2373502845 CDSVTCQLRNTJGN-KSNOWIBYSA-N 470.570 2.320 30 10 JEEE C=CCn1c(S[C@H](C)C(=O)N(C)CC(=O)NC2CC2)nnc1[C@H]1COc2ccccc2O1 23518212 FJSTZBPMAUFXFB-RDTXWAMCSA-N 457.556 2.194 30 10 JEEE O=C1c2ccccc2C(=O)N1CCN1C(=O)/C(=N\NS(=O)(=O)c2ccc(F)cc2)c2ccccc21 59147692 CHQMKKYHXBAQJP-QLYXXIJNSA-N 492.488 2.151 30 10 JEEE C/C(=N\Nc1nc(SCC(=O)N2CCN(Cc3nnc(C(C)C)o3)CC2)n[nH]1)c1ccccc1O 59830661 CVUAFAAXQZXRLW-BUVRLJJBSA-N 499.601 2.289 30 10 JEEE C[C@H](OC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1sc2c(c1C#N)CCC2 853670039 DMZOTFFKFOJHCE-LBPRGKRZSA-N 472.548 2.107 30 10 JEEE C#CCN(C(=O)c1cc(S(N)(=O)=O)cn1C)[C@@H]1CCOc2ccc(Br)cc21 1136804831 MIHJZIBVPLPWPB-OAHLLOKOSA-N 452.330 2.034 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1286384392 QLSDEPRHAVNJRX-URXFXBBRSA-N 472.611 2.302 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H](C)Oc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1286387484 RTHLGGRIQJXZDB-OALUTQOASA-N 481.578 2.443 30 10 JEEE C#CCN(c1nnc(Cc2c[nH]c3ccccc23)n1CCCNC(=O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1286391532 JDVVLOKKRWYATR-HXUWFJFHSA-N 496.637 2.139 30 10 JEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@]1(O)CCC[C@H]1C 1286401098 NTCVEEXVRAIIRT-HXOBKFHXSA-N 454.600 2.171 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2ccsc2)n1CC1(N2CCOCC2)CC(OCC)C1 1286412170 BOCJVBWGYSKCBD-UHFFFAOYSA-N 453.612 2.273 30 10 JEEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1286437591 PEDSYROBWGFUNA-FXAWDEMLSA-N 459.513 2.043 30 10 JEEE C#CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1CC(=O)N(C)C1CCCCC1 1286466259 DOCNNRKTGNWFJY-UHFFFAOYSA-N 463.586 2.394 30 10 JEEE C#CCSCCn1c(N2CCN(c3cccc(F)c3)C(=O)C2)nnc1[C@@]1(OCC)CCOC1 1286512054 IAXXQBOJJOKHLS-HSZRJFAPSA-N 473.574 2.289 30 10 JEEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C2CC2)C1 1286592463 GQHXFTGEMRDDAH-OKZBNKHCSA-N 465.620 2.496 30 10 JEEE C=CC1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccccc2S(=O)(=O)N(C)C)CC1 1286653599 ZLTAQKWMKLJXHW-UHFFFAOYSA-N 460.604 2.117 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(C[S@@](C)=O)cc2)C1 1286811713 HDTWLGAQNTZBAB-QTYPKTMWSA-N 457.600 2.109 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@H](Cn2cccn2)C1 1286816403 KOIAMVXNAXGQQD-KRWDZBQOSA-N 494.980 2.440 30 10 JEEE CC(C)NS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N(C)Cc1cccc(C#N)c1 1288274297 HIOOFHAAGUFYPF-UHFFFAOYSA-N 453.572 2.100 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccnc(N2CCCCC2)c1 1288524527 DRIIOXJXKSZGIW-HKUYNNGSSA-N 457.604 2.352 30 10 JEEE Cc1nn(C)c(N2CCN(c3nnc(CC(C)C)n3CCN3CCC[C@H](C)C3)CC2)c1C#N 1290576454 FNPXZMUSUGMPMV-IBGZPJMESA-N 453.639 2.449 30 10 JEEE CCO[C@@]1(c2nnc(N3CCO[C@H](c4cccc(C#N)c4)C3)n2CCC(=O)NC(C)C)CCOC1 1296669128 GTFYVDSPVKFOOJ-OFVILXPXSA-N 482.585 2.294 30 10 JEEE C#CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)NCc2ccccc2)CC1 1300363288 XYLDZSKBBRGERY-HSZRJFAPSA-N 464.614 2.414 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCN(CC)C1CC1)[C@H]1CCS(=O)(=O)C1 1300488240 CEBBFGQHQKYWRV-SFHVURJKSA-N 463.007 2.105 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CCCc1cccc(C)n1)[C@@H]1CCS(=O)(=O)C1 1300498311 IYDFCGHKBXFQPZ-JOCHJYFZSA-N 464.595 2.227 30 10 JEEE C#CCN(c1nnc(CN2CCCC2=O)n1[C@@H]1CCC[C@H](C(F)(F)F)C1)[C@H]1CCS(=O)(=O)C1 1300500736 CPSPJMFRVCTGEP-BBWFWOEESA-N 487.548 2.321 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H](C)Oc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1300503531 DBIHZRNMDPEGME-WAOWUJCRSA-N 474.583 2.232 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nnc(CC)s1 1300649985 QIVXCWQJILKUOI-MRXNPFEDSA-N 474.587 2.421 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CC[C@](C)(O)c2ccccc2)CC1 1300726519 PFDASPJMSGNWEK-LVXARBLLSA-N 465.598 2.436 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)CCOC 1300870162 QQSHYCKFDNZJRG-QUCCMNQESA-N 463.604 2.259 30 10 JEEE C=CCN(CCc1ccco1)c1nnc(Cc2ccsc2)n1C[C@]1(O)CCS(=O)(=O)C1 1301413170 QDBVPLFHOCUGED-OAQYLSRUSA-N 462.597 2.308 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1301481363 KSBIFDMGUXNRGR-HKARXFIJSA-N 459.522 2.244 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(O)(C(F)(F)F)CC1 1301593607 QQMOKDJNMHPVEI-UHFFFAOYSA-N 499.515 2.223 30 10 JEEE CCN1CCN([C@H](C)Cn2c(CNC(=O)c3cccs3)nnc2N2CCC[C@](C)(C#N)C2)CC1 1313926224 BSNPMDKOEOCYNR-NTKDMRAZSA-N 484.674 2.426 30 10 JEEE COCC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](c2ccco2)N(C)C)CC1 1315752189 GDEGUDFTWBYJAF-OAQYLSRUSA-N 477.569 2.444 30 10 JEEE N#Cc1ccc(Cn2cnc(NC(=O)[C@H]3CCCN(S(=O)(=O)c4ccccc4)C3)n2)cc1 1354673498 CTEMKKKELZHAJG-IBGZPJMESA-N 450.524 2.237 30 10 JEEE CC(=O)N[C@@](C)(C(=O)Nc1nc(C)c(SCC#N)s1)c1ccc(S(C)(=O)=O)cc1 1354682748 GOZGSWCKRRQENM-GOSISDBHSA-N 452.583 2.461 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H](C)N1CCN(CC)CC1 1358874703 AZRKLKKFRCRWHF-OALUTQOASA-N 486.690 2.031 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1(C(=O)NCC)CCC1 1358886050 WUWQORLSBGRWLL-KRWDZBQOSA-N 461.570 2.439 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C 1358890228 MOGAWNUKSGZFHJ-BBWFWOEESA-N 453.609 2.187 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCOCc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1358960427 DVMBNZFWEVSVTH-LJQANCHMSA-N 469.567 2.125 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1CCc1ccncc1)[C@H]1CCS(=O)(=O)C1 1358965582 XLFWZYPQNGORRI-NRFANRHFSA-N 465.579 2.142 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)N(C)C1CC1 1359025529 RJKOATWLLNEQPV-UYAOXDASSA-N 476.622 2.155 30 10 JEEE C#CCSCCn1c(N2CCN(Cc3cc(C)on3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1359062540 KWWLFHHPOICYSD-QHCPKHFHSA-N 474.631 2.304 30 10 JEEE C=C(Br)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](C(N)=O)C1 1359084285 CWXDEFCHPWGOJU-LSDHHAIUSA-N 499.410 2.197 30 10 JEEE C=C(Cl)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1359154145 FTKBTHALLOFNSY-IBGZPJMESA-N 481.066 2.265 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1359297669 XZLQDSWNYVHNLN-UHFFFAOYSA-N 454.575 2.339 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)c2ccc(F)cc2)C1 1359321474 GUZRJLROWVXGJW-UIFIKXQLSA-N 493.605 2.335 30 10 JEEE Cc1ccc(C)c(OCc2nnc(N(C)[C@H](C)CC#N)n2C[C@@H]2CCN(S(C)(=O)=O)C2)c1 1361144019 BFQIOPVGRUVDQC-RTBURBONSA-N 460.604 2.494 30 10 JEEE C#C[C@H](NC(=O)c1cccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)c1)C1CCOCC1 1453743730 DYQOSHRYKCHZRP-FQEVSTJZSA-N 456.520 2.052 30 10 JEEE CN(Cc1cscn1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCS(=O)(=O)C1 1503512199 HKGDGOMVCXAOMU-INIZCTEOSA-N 458.569 2.256 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1Cc1ccccc1CC)[C@@H]1CCS(=O)(=O)C1 1507627295 RSXHDSUQJOVOSY-QPPBQGQZSA-N 472.611 2.168 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CCC[C@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1507634763 MIDVGMHXRXVFDH-NHCUHLMSSA-N 457.600 2.240 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@H](c1ccc(F)cc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1507635701 UPLBQYABESFDRO-DHIUTWEWSA-N 496.612 2.333 30 10 JEEE C=C(Br)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1507776981 BRJIPKSOLXZVFO-INIZCTEOSA-N 471.377 2.494 30 10 JEEE C=C(Br)Cn1c(Cc2ccncc2)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1507788360 MANHDUQXPVGCIS-KRWDZBQOSA-N 484.420 2.203 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1([S@](C)=O)CC1 1508008396 NXMHVYNLDPLWOE-HBIPHATFSA-N 454.643 2.345 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cc(F)ccc2OC)C1 1508127229 UEUJICVMOCINPU-CRAIPNDOSA-N 450.536 2.158 30 10 JEEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1508151366 BXEVMQYHTRSJFF-LBPRGKRZSA-N 491.565 2.179 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCc1ccccc1OC(F)F 1510187937 AZPDSFVHGSXMMK-DJJJIMSYSA-N 472.493 2.174 30 10 JEEE Cc1cnn([C@H]2CCCN(c3nnc(COc4ccc(C#N)cc4)n3CCS(C)(=O)=O)C2)c1 1511405306 GSXNOUMVUBVFBI-IBGZPJMESA-N 469.571 2.120 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCCO3)n2CCN2CCOC[C@H]2C)c1 1539043367 PMBAEPHXXSJEEP-DENIHFKCSA-N 466.586 2.297 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1ccncc1 1539415935 ICSZERZTGJWSAY-HXUWFJFHSA-N 470.574 2.310 30 10 JEEE C#CCSCCn1c(-c2ccc(CC)cc2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1539504864 QBQUHOLEFAUQTM-UHFFFAOYSA-N 452.628 2.275 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(OCCC(C)C)CC1 1539802857 AICYFVOFODJLLE-SFHVURJKSA-N 476.043 2.395 30 10 JEEE C=C(Cl)Cn1c(N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)nnc1[C@]1(OCC)CCOC1 1539823620 GDRONRKBGMKROC-KKSFZXQISA-N 471.986 2.413 30 10 JEEE C=CCCOCCn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1540035455 CTJWUOVNQLXDCW-RBUKOAKNSA-N 465.595 2.495 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1540864382 YAVLUWXHCSMRCS-SFHVURJKSA-N 486.374 2.321 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCS(=O)(=O)N2CCSCC2)C1 1540886837 KDULXDSWHREFBQ-QGZVFWFLSA-N 499.062 2.153 30 10 JEEE COCC1(CCn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCO[C@H](C#N)C2)CCC1 1555290849 HMSJRUOCWMWSQP-GOSISDBHSA-N 459.572 2.284 30 10 JEEE N#C[C@@]1(F)CCN(c2nnc(COc3ccc(Cl)cc3)n2CC2(C(N)=O)CCOCC2)C1 1555986283 HHFXKHLWWDKNFX-NRFANRHFSA-N 462.913 2.235 30 10 JEEE C#CCN1CCC(NC(=O)c2cc(S(=O)(=O)NC(C)(C)C)ccc2Br)CC1 1558423781 YYCURPUCBNRITK-UHFFFAOYSA-N 456.406 2.353 30 10 JEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)c2cc(F)ccc2N2CCC(O)CC2)cc1 1587303958 SNOAKCJUIDNKRB-INIZCTEOSA-N 459.543 2.189 30 10 JEEE C#CCCCCn1c([C@H]2CCCOC2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1587766486 VSNZPVHEXZNFIF-VXKWHMMOSA-N 450.587 2.324 30 10 JEEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1C[C@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1587922242 WSEANKJVERDDSB-GBWYYYKWSA-N 489.617 2.413 30 10 JEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1c(F)cccc1SC)[C@@H]1CCS(=O)(=O)C1 1588024887 PJBCARYXRTVLPF-MRXNPFEDSA-N 491.614 2.050 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1CC1(O)CCCC1)[C@H]1CCS(=O)(=O)C1 1588034382 FGJQBACGGCTYTC-KRWDZBQOSA-N 480.537 2.478 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H](C)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1588046087 WZTZDGOZEFBIKG-MJGOQNOKSA-N 473.599 2.031 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@@](C)(O)c1ccco1)[C@@H]1CCS(=O)(=O)C1 1588059071 IVEQMLCKXNYBOR-HYBUGGRVSA-N 468.579 2.305 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H](C)N1CCN(CC)CC1 1588078816 NAIZCRQMKUEYQT-QFIPXVFZSA-N 461.614 2.246 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cnn(CC)c1 1588550779 XTRAXDRABNQSSC-IBGZPJMESA-N 456.547 2.224 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CCN1CCOC(C)(C)C1 1589483201 NHRTWOAMGQJAJL-PZJWPPBQSA-N 483.617 2.454 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1589514717 IEHAHPXBLQWADR-NJYVYQBISA-N 470.599 2.316 30 10 JEEE C=C(C)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1593605553 YGKDFVHOZPZMDR-KRWDZBQOSA-N 454.531 2.401 30 10 JEEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1593757950 RFGXLPOTUMPQTE-NRFANRHFSA-N 453.591 2.439 30 10 JEEE C=CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1594651438 LKQBTKFJGYVHKQ-OAQYLSRUSA-N 454.623 2.239 30 10 JEEE C=CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H](N1CCOCC1)C(F)(F)F 1594949340 XTIJKAJFEAOQGG-INIZCTEOSA-N 463.464 2.479 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 1595603221 ZUHCBEYUHDQIMT-AOHZBQACSA-N 496.656 2.355 30 10 JEEE Cc1ccc(NC(=O)c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2CN(CC(C)C)CCO2)cc1C 1612108361 HGOLNKKHKLMHSU-VXKWHMMOSA-N 481.601 2.233 30 10 JEEE CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2([S@](C)=O)CC2)CCN1CCOC 1614222422 BIQQCTZUTJBASB-CGKQSPDFSA-N 456.616 2.275 30 10 JEEE CCN(CC)C(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCOC[C@H]2C)CC1 1615328606 HCEBKXUPEKSIFF-OFNKIYASSA-N 479.629 2.480 30 10 JEEE CCNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2nccs2)CC1 1615968262 AAAFVGIEUGNQHC-UHFFFAOYSA-N 452.544 2.085 30 10 JEEE C#CC[C@H](CO)NC(=O)CCN(c1ccc(OC)cc1)S(=O)(=O)c1cccc(Cl)c1 1636838508 BUFIEWNBSGVWMR-QGZVFWFLSA-N 450.944 2.434 30 10 JEEE 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)c1ccc(F)cc1 1641283416 RPPYLXHNZPYRAD-YSHGAJCASA-N 450.532 2.286 30 10 JEEE C#CC[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2OC)c1)C(=O)OC 1651069256 MGEJOTSYAAJJCY-INIZCTEOSA-N 450.900 2.444 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1ccc([C@H](C)O)cc1)[C@@H]1CCS(=O)(=O)C1 1689986759 WRVLIIUCPHZRHQ-LAUBAEHRSA-N 451.552 2.068 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCOC1CCCC1)[C@@H]1CCS(=O)(=O)C1 1689991305 ZMJLYSLCMBIWHV-RTBURBONSA-N 450.605 2.148 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1Cc1ncccc1N(C)C)[C@H]1CCS(=O)(=O)C1 1689991746 BUYKFISCHQIFSR-NRFANRHFSA-N 478.622 2.313 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 1689998104 BLRRKQWOAFIDSW-OTWHNJEPSA-N 493.630 2.156 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CC(F)(F)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1689998414 LMPUNERHOIEZAR-SXLOBPIMSA-N 494.564 2.421 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCC1(O)CCOCC1 1690013719 ZTOHVTOKHQIUOV-UHFFFAOYSA-N 474.565 2.240 30 10 JEEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](c1ccc(C)o1)N1CCOCC1 1690058339 UQQGNRJUOHGNLO-LJQANCHMSA-N 463.542 2.360 30 10 JEEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@@]2(N(C)C)CCSC2)CC1 1690130437 GBEZSKGSWCMQJX-VWLOTQADSA-N 468.671 2.264 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2CC[C@@H]2CCCCO2)CC1 1690136859 KONHTYRDXPOQMA-FQEVSTJZSA-N 458.607 2.122 30 10 JEEE C=C(Cl)Cn1c(-c2noc3c2COCC3)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1690342664 RZCPXYPYSXFIEV-UHFFFAOYSA-N 470.983 2.009 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CCN2CCCC[C@@H]2C)CC1 1690669729 NJDLVOSDBJPIOK-ICSRJNTNSA-N 457.623 2.012 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CCN(c2cccnn2)CC1 1690720115 ZLDPXAGXNYJOBA-UHFFFAOYSA-N 467.599 2.225 30 10 JEEE CC(=O)N1CCC[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N(CCS(C)(=O)=O)C2CC2)C1 1690806748 IFHPPDZRWFNEGW-LJQANCHMSA-N 470.599 2.089 30 10 JEEE Cc1csc(CN(C)c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCS(=O)(=O)C2)c1 1693319637 GVCREQIONUWIRX-OAQYLSRUSA-N 457.581 2.373 30 10 JEEE Cc1nc([C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCNC(=O)C(C)(C)C)CCO2)no1 1693337479 CECFZAKZVXMOAY-GOSISDBHSA-N 464.530 2.248 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1CCCS(=O)(=O)C1 1705475783 VHNOMGBJVMALKI-RDJZCZTQSA-N 463.991 2.144 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccc3ccccc3n2)n1CCNS(=O)(=O)Cc1ccon1 1705485289 HGQQBVQXNHQADI-INIZCTEOSA-N 465.539 2.059 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2CCOc2ncccc2F)c1 1705506981 NUXCKQAZGJVXEO-SFHVURJKSA-N 464.501 2.451 30 10 JEEE C#CCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCO[C@@H](C(=O)NC)C1 1705526704 OIBRBODNJFPGGU-QGZVFWFLSA-N 462.348 2.081 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1CC1(O)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1705570806 RDXPZRFFXQNREJ-OAQYLSRUSA-N 456.612 2.499 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@@H]1CCN(CC)C1)[C@@H]1CCS(=O)(=O)C1 1705571105 VVILDZZIOXCSMX-QZTJIDSGSA-N 477.581 2.116 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1CC1(COC)CCOCC1)[C@H]1CCS(=O)(=O)C1 1705571502 ZVGGEDCVERNWNP-FQEVSTJZSA-N 490.601 2.078 30 10 JEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cccc(C(=O)NCC)c1 1705580841 RMLPZFVMSDBKHA-UHFFFAOYSA-N 489.605 2.109 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCC2(F)CCC2)CC1 1705633952 CXDWTVZEKFYDIM-UHFFFAOYSA-N 474.606 2.233 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1705651541 AVJBDYGXYAOGLR-JOCHJYFZSA-N 456.572 2.066 30 10 JEEE C#CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1705656486 ZFVUYJNXZGVFEE-UHFFFAOYSA-N 489.001 2.494 30 10 JEEE C#CCSCCn1c(CCc2ccc(OC)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1705663702 OJMAZIBJHMHLIO-HXUWFJFHSA-N 462.641 2.452 30 10 JEEE C=C(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1705724565 XYHWELMYPVVSLV-MRXNPFEDSA-N 451.531 2.483 30 10 JEEE C=C(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1705725294 RSKHLFPIZAFPQT-INIZCTEOSA-N 452.606 2.372 30 10 JEEE C=CC[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](CNC(C)=O)C1)c1ccccc1 1705795310 HETPEAKDIIVTSR-FCHUYYIVSA-N 466.586 2.215 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1CC[C@H]1COCCO1 1705858224 SWVNZGCOVPNBQN-NRFANRHFSA-N 450.543 2.384 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCOCC2(CC2)C1 1705902527 GOVIBLRVMQXANR-SFHVURJKSA-N 474.606 2.312 30 10 JEEE CC(C)CCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCS(=O)(=O)C(C)(C)C 1706462734 HNADLSOJIVRRCF-KRWDZBQOSA-N 473.665 2.160 30 10 JEEE CC(C)NC(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCCN(c2ccccc2C#N)CC1 1706635179 HNIGMOZNFZSMPZ-HXUWFJFHSA-N 451.575 2.285 30 10 JEEE N#Cc1ccc(-c2nnc(N3CCC(N4CCCCC4=O)CC3)n2CC(=O)NCC(F)F)cc1 1712879560 FISWSKPIIABXOW-UHFFFAOYSA-N 471.512 2.179 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(NC(=O)c2ccco2)cc1 1722275103 BXXMARVQWGLFTB-CVEARBPZSA-N 470.555 2.240 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1[C@H]1C[C@H](c2ccccc2F)C1)[C@@H]1CCS(=O)(=O)C1 1722359620 VCMBHINGTASAQW-KZNAEPCWSA-N 473.574 2.301 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CC1(CCC)CC1)[C@@H]1CCS(=O)(=O)C1 1722365345 NKMSNQUHWNCGAC-GCJKJVERSA-N 450.605 2.137 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCc1ccccc1C)[C@H]1CCS(=O)(=O)C1 1722369832 HMZIQSWDPJQPAJ-FKBYEOEOSA-N 472.611 2.180 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccccc3F)n2CC2(OCCOC)CCOCC2)CC1 1722435495 OSHOUNIZBQMAAG-UHFFFAOYSA-N 457.550 2.052 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C(C)(F)F)cc2)CC1 1722436558 BGZMXJRRDMMDFX-SFHVURJKSA-N 463.554 2.095 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1sc(C)nc1C 1722449280 SHVSETRXEMMKNV-UHFFFAOYSA-N 463.567 2.400 30 10 JEEE C=C(Br)Cn1c(-c2cc(Br)cn2C)nnc1N1CCN2CCOC[C@H]2C1 1722480652 SHIDPYAMMSTVIS-CQSZACIVSA-N 486.212 2.476 30 10 JEEE C=C(C)COCCn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1722530099 NMIGOUHNVUTUBP-GOSISDBHSA-N 466.546 2.078 30 10 JEEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@]2(CCc3ccccc32)C1 1722622253 KLGTXZSQLSLBCI-MBSDFSHPSA-N 475.615 2.159 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CC[C@H](CN2CCOCC2)C1 1722689689 XCIZOJPMSIOWRN-QGZVFWFLSA-N 489.418 2.168 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1722694373 UGEIITMCXIGTJD-CABCVRRESA-N 465.645 2.303 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1722699480 JAXXFCLTBRAIOG-UHFFFAOYSA-N 479.673 2.474 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2C[C@@H](F)COC)C1 1722713844 JSKHQVQWHFJDDO-IAGOWNOFSA-N 456.522 2.441 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(Cc3cccnc3)n2CC2(NC(=O)OC(C)(C)C)COC2)C1 1722722684 ROUGLCUJCUEBEE-LJQANCHMSA-N 470.574 2.339 30 10 JEEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1722732157 HOERKEPQJNUYOI-IAGOWNOFSA-N 456.682 2.118 30 10 JEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1722739549 WQGYFCKJLOSQOL-OAQYLSRUSA-N 486.667 2.293 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCc1cccc(F)c1 1723616055 DYEUNFFOEKNJCZ-QGZVFWFLSA-N 477.548 2.175 30 10 JEEE CN(CCN1CCOC(C)(C)C1)c1nnc(-c2cccc(C#N)c2)n1CCCN1CCOCC1 1729541391 AGDNDLPPYDYPBF-UHFFFAOYSA-N 467.618 2.086 30 10 JEEE C#CCCCn1c(N2CCN(C(=O)c3cccc(F)c3)CC2)nnc1[C@]1(OCC)CCOC1 1740597138 PXTQLZMAGZSRTB-DEOSSOPVSA-N 455.534 2.445 30 10 JEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1CCC1(O)CCOCC1)[C@H]1CCS(=O)(=O)C1 1740625257 MXKHMNJHCWOTSP-FQEVSTJZSA-N 493.029 2.081 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCOC[C@H]1CCOC1 1740671858 QCVLYXJNHYVLBH-UXHICEINSA-N 477.606 2.489 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H](C)N(C)C2CC2)CC1 1740707197 SVDUHHUKUNZKNV-SFHVURJKSA-N 452.578 2.457 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2CCc2nnc(C)s2)CC1 1740707566 HNJISXRHTQRZIR-UHFFFAOYSA-N 483.573 2.365 30 10 JEEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1740717798 APOPONRPXJILIW-ROUUACIJSA-N 465.620 2.268 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)N1CCC[C@@H](C)C1 1740731423 BCLJLLSPRNAJCT-YOSAUDMPSA-N 492.690 2.114 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2C[C@H](C)O[C@@H](COC)C2)nnc1[C@]1(OCC)CCOC1 1740768017 SPCRGYVLDREZLJ-XUSKPFNFSA-N 450.580 2.152 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1740779463 HPLZWGHNQHDIED-JOCHJYFZSA-N 456.572 2.410 30 10 JEEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H]1c1nncn1C 1740796040 LXFLVPLQMUCEPS-MRXNPFEDSA-N 456.576 2.332 30 10 JEEE C=CCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1740884195 SOFLFQQZRDTWHC-NHCUHLMSSA-N 476.599 2.326 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1740982166 UGKRDWNEEJVOHJ-MJGOQNOKSA-N 463.579 2.071 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1740989650 UEKFMJXRXRJZJI-GOSISDBHSA-N 490.605 2.267 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCC[C@H](C(F)(F)F)C2)nnc1[C@]1(OCC)CCOC1 1740994433 RHMHVHWSGGYLBD-YJBOKZPZSA-N 466.526 2.310 30 10 JEEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2c(CC)nn(C)c2Cl)CC1 1741001108 LCDBVOMUUMKSIT-GOSISDBHSA-N 493.081 2.420 30 10 JEEE CO[C@@]1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C(=O)NC(C)(C)C)CC2)CCOC1 1748504906 GUCHNAWSWIKYCU-RUZDIDTESA-N 497.600 2.164 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1748804316 FSQRCHRSBQVPAR-ICSRJNTNSA-N 475.590 2.280 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@]1(O)CCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1748818316 AFUPBZOOQSXEGF-SEPYTNNBSA-N 478.565 2.325 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H]1CN(CC(C)C)CCO1 1748831680 UBVRGAZFTFYHOO-HSZRJFAPSA-N 451.571 2.392 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](c2cccc(OC)c2)N(C)C)CC1 1748989708 BZYSPPQZQWURDF-GGAORHGYSA-N 452.603 2.239 30 10 JEEE C#CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1749026749 PCTALVTXRSUMOY-HNNXBMFYSA-N 484.047 2.444 30 10 JEEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1749086445 LKGPMJAUGIFYRA-DLBZAZTESA-N 485.427 2.493 30 10 JEEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1749115239 ODFIOMQQWBGULR-OKYOBFRVSA-N 484.439 2.458 30 10 JEEE C=CCCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1749401636 BERNKAICOWFQNU-NRFANRHFSA-N 482.585 2.320 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)c1ccccn1 1749575305 PQOLPNAYHXZFQD-GOSISDBHSA-N 460.604 2.162 30 10 JEEE C=CCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H]2[C@@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1749617899 YBKMXFSYDYFGAU-PMPSAXMXSA-N 495.005 2.306 30 10 JEEE C=CCNC(=O)Cn1c(N2CC[C@@H](Cc3ccc(F)cc3)C2)nnc1[C@]1(OCC)CCOC1 1749682135 OQXQLVXMHPPOSJ-CYFREDJKSA-N 457.550 2.441 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1749737078 XAYJARYCRGPMEO-NRFANRHFSA-N 491.633 2.157 30 10 JEEE CC(C)(C)C(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2cc(CO)nn2)C1 1750107865 CCMPTWXKQOEQSJ-FQEVSTJZSA-N 491.600 2.122 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H]1CC(=O)N(CCOC)C1 1760096943 XGJJARAIVQYVQQ-RBUKOAKNSA-N 452.559 2.100 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1CCOc1cc(C)cc(C)c1)[C@@H]1CCS(=O)(=O)C1 1760187337 CVYUPBSTQUMXSY-LJQANCHMSA-N 466.567 2.058 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccc(OC)c(OC(F)F)c1)[C@H]1CCS(=O)(=O)C1 1760192612 KPKQLCZEIIYQSQ-FUHWJXTLSA-N 496.536 2.415 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCn1c(C)nc2ccccc21 1760210340 QWYHDZXTUQXBJG-GOSISDBHSA-N 467.599 2.100 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCOCCC(C)C)CC1 1760261011 FYSJKAHVCOZFKE-OAQYLSRUSA-N 490.649 2.404 30 10 JEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCCNC(=O)OC(C)(C)C)CC1 1760261250 MZHXUMQRMVESQB-UHFFFAOYSA-N 470.622 2.200 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@]2(OC)CCOC2)CC1 1760267191 UVQMWHNRQPBBRZ-QHCPKHFHSA-N 457.962 2.370 30 10 JEEE C=C1CCN(c2nnc(COc3ccccc3F)n2CC2(O)CCS(=O)(=O)CC2)CC1 1760393154 KWEPFXGAXCVMNW-UHFFFAOYSA-N 450.536 2.092 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1OCC[C@H]1C 1760484962 OVNTTZTZLCUXJJ-UIFIKXQLSA-N 493.605 2.368 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1760516423 NAFCXCGAXXCUHR-NQIIRXRSSA-N 472.565 2.160 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCN(c2ncccn2)CC1 1760516923 YFHVTNXLPABKSS-HXUWFJFHSA-N 476.585 2.454 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCC([C@@H]2CCOC2)CC1 1760528174 UMHMULUBIAUVJJ-LJQANCHMSA-N 455.559 2.421 30 10 JEEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1CC(C)(C)N1CCC(OC)CC1 1764995099 DYAMMVYWRUJQPR-OAQYLSRUSA-N 465.602 2.421 30 10 JEEE COc1ccc(N2CCCC2=O)cc1S(=O)(=O)N1CCN(C(=O)Nc2ccccc2C#N)CC1 1858625959 PYQSSSOYNLLUFZ-UHFFFAOYSA-N 483.550 2.232 30 10 JEEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1ccc(O)c([N+](=O)[O-])c1 1862416233 MLMPWUUVVOHCNY-SFHVURJKSA-N 461.377 2.293 30 10 JEEE COc1cc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2CCO)cc(Br)c1O 1862570750 OQHQUDOCAAIGMR-INIZCTEOSA-N 463.284 2.316 30 10 JEEE C=CCN1C(=O)C(NCc2ccc(S(N)(=O)=O)cc2)=C(c2ccc(Br)cc2)C1=O 1863557596 UQEJCURIJCQWCX-UHFFFAOYSA-N 476.352 2.152 30 10 JEEE C=CCn1cc(OCC(=O)NCCN(CC)CC)c(=O)cc1CN1CCN(c2ccc(F)cc2)CC1 1870535129 IABRSSDQNWLUCU-UHFFFAOYSA-N 499.631 2.332 30 10 JEEE CC(C)N1C[C@H](c2nnc(SCC(N)=O)n2/N=C/c2cccc(Br)c2)CC1=O 1874338736 WRNQWOPPYXLWPA-RTYWOJFRSA-N 465.377 2.225 30 10 JEEE CN1CCN(CC#CCOC2CCN(S(=O)(=O)c3cc(Br)ccc3F)CC2)CC1 1890475261 MGSIKYGXVPROKJ-UHFFFAOYSA-N 488.423 2.009 30 10 JEEE COc1cccc(C(=O)N2CCC(OCC#CCN3CCN(C(C)C)CC3)CC2)c1[N+](=O)[O-] 1891097975 GCQLMVTYXGPVFL-UHFFFAOYSA-N 458.559 2.254 30 10 JEEE COc1ccc(Br)cc1S(=O)(=O)N1CCC[C@@H](Oc2nccnc2C#N)C1 1891724761 IMTSSTSQBCPYEE-CYBMUJFWSA-N 453.318 2.351 30 10 JEEE Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CCC(=O)N1CCN(c2ccc(C#N)cc2)CC1 1892139651 CMKTXWVMNOVHGW-NRFANRHFSA-N 455.584 2.013 30 10 JEEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](NC(=O)OC(C)(C)C)CC[C@H]1C(=O)O 2068508735 DUZXMMMMINUSGZ-XHSDSOJGSA-N 453.536 2.262 30 10 JEEE C=C(CO)CCNC(=O)c1cc(I)cc(I)c1O 2076228110 ILPILWUKAFCQEN-UHFFFAOYSA-N 473.048 2.270 30 10 JEEE CC(C)(C)OC(=O)N1CCN(CC(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)c2)C(=O)C1 2180980737 LXBBWQXVAQQJED-UHFFFAOYSA-N 459.352 2.004 30 10 JEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](C(=O)Nc2ccc(Br)cc2C#N)C1 2197772320 DTXXMJMIFATUHZ-CQSZACIVSA-N 458.334 2.293 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2CC(CCNC(=O)OC(C)(C)C)(OC)C2)C1 2255158440 HLQGSFQFMSCKCT-UHFFFAOYSA-N 451.564 2.435 30 10 JEEE COC1(CNC(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2255809350 WGVYYNWOSUWFCX-UHFFFAOYSA-N 452.382 2.413 30 10 JEEE CN1CCN(C(=O)OC(C)(C)C)[C@@H](CNc2nccc(B3OC(C)(C)C(C)(C)O3)c2F)C1 2266066693 NXYUJKFHYHGWNG-HNNXBMFYSA-N 450.364 2.483 30 10 JEEE CN(CCCCN(C)C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1)C(=O)OC(C)(C)C 2267200107 SWQRIXDNLMRROM-UHFFFAOYSA-N 450.389 2.438 30 10 JEEE CC1(C)OB(c2ccc(C(=O)N[C@H]3COCCN(C(=O)OCc4ccccc4)C3)nc2)OC1(C)C 2267259476 AAPAXGGVEWJWTD-HXUWFJFHSA-N 481.358 2.148 30 10 JEEE CON(CCNS(=O)(=O)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)C(=O)OC(C)(C)C 2267470212 HBZFMPNTJNNHEW-UHFFFAOYSA-N 470.397 2.204 30 10 JEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC[C@@](C)(NC(=O)C(F)(F)F)C1 2267702366 FSWVVNLEQIHABG-QGZVFWFLSA-N 482.355 2.187 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2F)[C@@H](CO)C1 2281790992 WGWHGHOVEJCFIU-MRXNPFEDSA-N 464.343 2.179 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2CC(NC(=O)c3ncncc3B3OC(C)(C)C(C)(C)O3)C[C@@H]2C1 2282172440 XAXACRGFANPCPX-HUUCEWRRSA-N 458.368 2.151 30 10 JEEE CN(C[C@H]1COCCN1C(=O)OC(C)(C)C)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2282172747 AEQBEMXYLYBWTA-KRWDZBQOSA-N 461.368 2.089 30 10 JEEE CC1(C)OB(c2cncc(C(=O)NC[C@H]3CN(Cc4ccccc4)CCCO3)c2)OC1(C)C 2282181852 LTKAFIBVGRBFGO-QFIPXVFZSA-N 451.376 2.402 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H]2CCN(C(=O)c3ncncc3B3OC(C)(C)C(C)(C)O3)C[C@H]21 2282191002 UMKAUWFOSJJZQQ-NVXWUHKLSA-N 458.368 2.247 30 10 JEEE CC(C)(C)OC(=O)N1CC2(CC[C@@H](CNC(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)o3)O2)C1 2282199670 HLYALVZTGVNXLR-HNNXBMFYSA-N 462.352 2.477 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](NS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C2(CC2)C1 2282348700 OHPAMLYYUIKOBZ-KRWDZBQOSA-N 479.408 2.059 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@H](CNC(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2F)C1 2282397389 MREZVFFGXBCIKP-HNNXBMFYSA-N 464.343 2.491 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CCOC[C@H]2OCc2ccccc2)n1 2282593302 OUPZKJXPYLQMFL-VQTJNVASSA-N 455.364 2.306 30 10 JEEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H](NC(=O)c3ncc(B4OC(C)(C)C(C)(C)O4)cn3)[C@H]1CC2 2282613754 DCVRFNHQTGNZAX-YESZJQIVSA-N 458.368 2.436 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H]2OCCN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)c[nH]3)[C@H]2C1 2282623762 QVXONYUFTSLVRT-ZWKOTPCHSA-N 461.368 2.164 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)CC12CCC2 2282678811 RFTBLNFPHZDROS-MRXNPFEDSA-N 458.368 2.295 30 10 JEEE Cc1cccc(C(=O)NC[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2282687290 DJYDXTPGLRRMQE-XMMPIXPASA-N 460.380 2.396 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NCC[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 2282691239 HBBKMLZWJUATJV-QGZVFWFLSA-N 463.384 2.080 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1CC[C@@H]2NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2283062539 OLQCQFCKCIHFBB-OAGGEKHMSA-N 458.368 2.294 30 10 JEEE COC[C@H](ONC(=O)OC(C)(C)C)C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccc1OC 2283962112 CWGCJKHHXWSWLZ-KRWDZBQOSA-N 466.340 2.404 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCOCC[C@H]1C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2284022369 IVRSGOKUOLDYCZ-CABCVRRESA-N 481.424 2.378 30 10 JEEE Cc1ccc(NC(=O)[C@@H](CCC(N)=O)NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2284041791 SLSVWYCSOUYLIT-QGZVFWFLSA-N 461.368 2.392 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@]1(C(=O)O)CCN(Cc2ccccc2)C1 2284474308 JJTVDGDYQGOJGP-HSZRJFAPSA-N 471.388 2.210 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]1C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2285181984 CLXPDJGEASMZTM-QZTJIDSGSA-N 464.343 2.423 30 10 JEEE CN[C@@H](C#Cc1cccc(Br)c1)[C@]1(NC(=O)OC(C)(C)C)CCS(=O)(=O)C1 2296220518 YVROELDZESVXIR-LPHOPBHVSA-N 457.390 2.471 30 10 JEEE COC(=O)C[C@H](c1ccc2c(c1)n(C)c(=O)n2C)c1c(O)ccc2c1OC(=CN1CCOCC1)C2=O 2297592021 ZWBTVBYYHPQPEZ-QGZVFWFLSA-N 493.516 2.026 30 10 JEEE COc1cc(C=Nn2c(CC(C)(C)C)nnc2SCC(N)=O)ccc1OCCN1CCOCC1 2330832724 HLKVWIXDGJHTJB-UHFFFAOYSA-N 490.630 2.046 30 10 JEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CC(=O)N2CC[C@@H](B3OC(C)(C)C(C)(C)O3)C2)C1 2342541754 SOQJAMLEOCVZPA-CVEARBPZSA-N 472.413 2.105 30 10 JEEE C=C(CS(=O)(=O)N[C@@H]1C[C@@H]2OCCN(C(=O)OC(C)(C)C)[C@@H]2C1)B1OC(C)(C)C(C)(C)O1 2343103114 CSVQPMBZIXDEAM-BBWFWOEESA-N 472.413 2.260 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)C2CC(B3OC(C)(C)C(C)(C)O3)C2)[C@@H](CC(N)=O)C1 2343356432 VUOSNAKJFWRHSA-GPANFISMSA-N 451.373 2.182 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H]3C[C@H]23)n1 2359267472 KFQWLBPPUHFOJZ-HYVNUMGLSA-N 460.384 2.330 30 10 JEEE Cc1nn(C)c(C(=O)NC[C@H]2[C@@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)c1B1OC(C)(C)C(C)(C)O1 2359267862 IOHMMGSQYSDVKS-OWCLPIDISA-N 460.384 2.013 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@]1(F)CCCN(C(=O)OC(C)(C)C)C1 2362337219 KKFYSYGZNOYLAV-QFIPXVFZSA-N 466.363 2.188 30 10 JEEE C=CCNC(=O)CN1CN(c2ccccc2)C2(CCN(C(=O)NCc3ccccc3)CC2)C1=O 16613204 KFCNVZAWXZGEDP-UHFFFAOYSA-N 461.566 2.339 30 10 JEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OCC2CC2)c(=O)n1-c1ccccc1C#N 516374011 BXGGKMGDHIAWOZ-UHFFFAOYSA-N 482.565 2.365 30 10 JEEE C=CCOc1ccc(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)cc1OC 1144657246 RIBHCTHPZBHVDI-LJQANCHMSA-N 453.543 2.285 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CC[C@](C)(O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1286394889 XRRMDLKBOKEDNJ-DHLKQENFSA-N 479.606 2.188 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CC1(COC)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1286396825 WPOQMQGXAJALKA-VQTJNVASSA-N 464.632 2.396 30 10 JEEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@H]1CCC[C@H](O)C1 1286415434 KFGZLYISYYJNKP-ZCYQVOJMSA-N 460.626 2.267 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H](C)CN1CCOCC1 1286418267 FLWXULWBJPWEJU-HXUWFJFHSA-N 451.571 2.394 30 10 JEEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(=O)N[C@H](C)CC 1286448304 RTQGILBZUDNCBN-QZTJIDSGSA-N 462.595 2.351 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCCS2)CC1 1286493261 UBABSEISLKCLBH-KRWDZBQOSA-N 472.640 2.131 30 10 JEEE C#CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(CCOC)[C@@H](C)C1 1286500095 RGQNOPICJIDIOU-SFHVURJKSA-N 457.600 2.240 30 10 JEEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1286511039 FVAREKVPLPGCTO-SFTDATJTSA-N 457.648 2.053 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 1286549034 VZTHVEIEXIWKQO-HZMVEIRTSA-N 495.568 2.417 30 10 JEEE C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCC[C@H](S(C)(=O)=O)C1)c1ccccc1 1286614888 DHWPHHKGXAPGBG-HKUYNNGSSA-N 481.644 2.005 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCSCC(F)(F)F)CC1 1286646412 QQGFGGPGMRNXGK-CQSZACIVSA-N 469.555 2.063 30 10 JEEE C=CCCOCCn1c(-c2cccnc2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1286711375 NOSJELSFDFANHL-HXUWFJFHSA-N 453.591 2.066 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCN(c2oc(C3CC3)nc2C#N)CC1 1286818713 ZNOWYAZJWQADEV-INIZCTEOSA-N 473.603 2.456 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CC[C@@H](C)[C@H](OC)C1 1286824263 XULHYQAQJGJOQS-VQIMIIECSA-N 452.552 2.458 30 10 JEEE C#CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN2CCOC[C@H]2C1 1300339007 KGWLBHBLWQCPIH-HXUWFJFHSA-N 456.978 2.186 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Cl)n1CCCNC(=O)C(C)C)[C@H]1CCS(=O)(=O)C1 1300488011 NWRWFEFBHTXIKF-KRWDZBQOSA-N 478.018 2.388 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCCCN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1300496120 OEUREMZRMPADPT-YADHBBJMSA-N 477.675 2.455 30 10 JEEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1CCc1ccsc1)[C@H]1CCS(=O)(=O)C1 1300504007 IBIYSJGHLYVVML-KRWDZBQOSA-N 489.648 2.201 30 10 JEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCN(C)C1CCCC1 1300512996 PHRDQXRIEMYUDI-UHFFFAOYSA-N 467.643 2.494 30 10 JEEE C#CCN1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@@H](C)N(C)C)CC1 1300700828 XJTFONHKXXAGHT-LJQANCHMSA-N 459.639 2.098 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@]2(C)CCO[C@H]2C2CC2)CC1 1300711231 UFTHFKAINYYQCD-HFZDXXHNSA-N 484.645 2.368 30 10 JEEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 1300763842 XUYZLYYOXSLPFF-FCHUYYIVSA-N 455.628 2.394 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCC(C(=O)NCCCOC)CC1 1300879759 FQDHTNOQTTVRRL-FPOVZHCZSA-N 469.590 2.085 30 10 JEEE C=C(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1300950572 GWPNWJDWTUXVIS-UHFFFAOYSA-N 488.662 2.326 30 10 JEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)OC(C)(C)C 1300968857 BDBBVANKLDCQMU-RYRKJORJSA-N 464.588 2.377 30 10 JEEE C=C(C)COCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1300972058 FYEIWCDBHSRRTO-GOSISDBHSA-N 482.006 2.078 30 10 JEEE C=CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(S(C)(=O)=O)CC1 1301188116 GFXURNAFWOYBKJ-GOSISDBHSA-N 498.650 2.024 30 10 JEEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCOCC1(C)C 1301297893 VYTLQAKKJLUDCG-GOSISDBHSA-N 464.611 2.320 30 10 JEEE CC(C)NS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(c2ccnn2C)CC1 1303469381 FOZMTKDXVZYZHH-UHFFFAOYSA-N 482.614 2.262 30 10 JEEE C=CCOc1ccc(OS(=O)(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1 1309231854 BNNPBEAOJOOPPL-UHFFFAOYSA-N 453.538 2.348 30 10 JEEE COC(=O)N1CCC(Cn2c(C(C)C)nnc2N2CCN(c3nccnc3C#N)C[C@@H]2C)CC1 1315114508 HJZMLLALWHFRPS-KRWDZBQOSA-N 467.578 2.257 30 10 JEEE C#CCCCCn1c(COc2ccc(Br)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1358916587 QBZOFFCJRWQPMF-GOSISDBHSA-N 476.375 2.374 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC[C@H](C)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 1358962742 VZPCHHYJKXXELX-ACRUOGEOSA-N 463.648 2.411 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@H](C)Oc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1358965353 SURWKORHKVYBCH-FPOVZHCZSA-N 495.605 2.367 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCN1CC=CCC1 1359027492 LRNMYMAQKYCOCI-BGYRXZFFSA-N 458.607 2.397 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(F)cc3Br)n2CCCn2ccnn2)CC1 1359032679 YKRZXVYUUBPPIO-UHFFFAOYSA-N 473.354 2.284 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccnc3)n2CCNc2nccc(C(F)(F)F)n2)CC1 1359033393 AJBQMFUIHPIIKA-UHFFFAOYSA-N 457.464 2.016 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2nc(C)c(C)s2)CC1 1359041985 NWEUTUIVNBRXHR-HSZRJFAPSA-N 472.615 2.018 30 10 JEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(=O)CC2CCCC2)CC1 1359228181 WCLHKGIVLXYTAF-NRFANRHFSA-N 493.674 2.392 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](Nc2cc(OC)cc(OC)c2)C1 1359301185 UNFSOTXCGPOLBD-ZWKOTPCHSA-N 470.574 2.182 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2Cc2cnnn2C)C1 1359319574 BMKFQLHIPTUFIL-HKUYNNGSSA-N 472.594 2.351 30 10 JEEE CC(C)C(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCC(=O)N(C)C)CC1 1359623865 HQOMQSHNZSQASV-UHFFFAOYSA-N 451.575 2.426 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC1=CCc2ccc(OC)cc21 1507536492 CIKKXAWBOHBGGY-JTSKRJEESA-N 485.610 2.107 30 10 JEEE C#CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(CC(=O)NC2CC2)CC1 1507571546 FKXPUQBAYVSGTD-IFMALSPDSA-N 456.635 2.401 30 10 JEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1507592503 AXUHNZHLWXEODW-IBGZPJMESA-N 497.669 2.252 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1CC[C@](C)(O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1507629284 LWKAMDSCLSAZHB-RDPSFJRHSA-N 467.595 2.208 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CC(=O)Nc1c(C)cccc1C)[C@H]1CCS(=O)(=O)C1 1507633390 SEBLWDKOHJMMIP-PMACEKPBSA-N 485.610 2.054 30 10 JEEE C#CCN(CC#CC)c1nnc(Cc2cccnc2)n1CC(=O)N1CCN(c2ccccc2)CC1 1507670951 WXUJYELJVBGLTM-UHFFFAOYSA-N 467.577 2.076 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCCC=C)CC1 1507734405 LSZIXMCSWZRWEB-UHFFFAOYSA-N 484.626 2.127 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1cccc(C)n1 1507821075 TVJCBNDRIJHAFX-FQEVSTJZSA-N 462.620 2.350 30 10 JEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1508084426 NXMMSGFFJSXFCL-HNNXBMFYSA-N 458.510 2.484 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC2(CCN(C)C2=O)CC1 1508090279 GDDBJUBLMDRVHA-UHFFFAOYSA-N 466.586 2.225 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCC3(CCN(C)C3=O)CC2)cc1 1508098212 YMCADJHFGJLFMJ-UHFFFAOYSA-N 466.586 2.478 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccn(-c2ccc(F)cc2)n1 1508421677 BXJHVWIPZXMDOH-SJORKVTESA-N 471.562 2.344 30 10 JEEE CCN1CCN([C@H](C)Cn2c(C(=O)Nc3ccccn3)nnc2N(C)Cc2ccc(C#N)cc2)CC1 1515898963 GUDUBEMEHPQNPW-HXUWFJFHSA-N 487.612 2.459 30 10 JEEE C#CCCCn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1539097447 NCHPSHARUWZCTK-UHFFFAOYSA-N 454.962 2.283 30 10 JEEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H](c1cccs1)N1CCOCC1 1539194231 TXXGDKVCINFCAP-KRWDZBQOSA-N 470.624 2.474 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H](CC)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1539222357 VNWNBXLVUATFME-QRVBRYPASA-N 495.646 2.102 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H](c1cccc(F)c1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1539226509 ZLYQBHSXXSRJCE-PKTZIBPZSA-N 496.612 2.333 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@]1(C)CN(C)C1=O 1539251364 DLIIYUAZRFBLLP-NRFANRHFSA-N 456.344 2.267 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCN1C[C@@H](C)O[C@H](C)C1 1539362337 XQXBQNUSUJTATL-RTBURBONSA-N 463.586 2.151 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2CCCOC[C@H]2CCCO2)CC1 1539434891 XEPBSOLJGNJQCW-LJQANCHMSA-N 491.434 2.387 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2Cc2ncccc2N(C)C)CC1 1539436177 MHTNYHSGSFZXKE-UHFFFAOYSA-N 461.570 2.227 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2CCc2n[nH]c(C)n2)CC1 1539441390 NNILNPJZILECAM-UHFFFAOYSA-N 464.574 2.167 30 10 JEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N(C)C[C@H]1CN(CC)c2ccccc2O1 1539526132 JSHQFODYCNMBET-IBGZPJMESA-N 468.627 2.491 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1539644465 OVRUHGZWPHYUFD-ZVDOUQERSA-N 457.579 2.398 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1539917889 YBIKVGGYJDHASD-GOSISDBHSA-N 472.615 2.140 30 10 JEEE C=CCCCn1c(N2CCN(S(=O)(=O)c3csc(C)n3)CC2)nnc1[C@@]1(OCC)CCOC1 1540021548 TYKHLPYAKPEYDQ-OAQYLSRUSA-N 496.659 2.172 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 1540865446 HCDRLXWMOUSSIB-HXUWFJFHSA-N 450.543 2.004 30 10 JEEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1540920237 RWACKTILVMJYDI-MRXNPFEDSA-N 450.609 2.423 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Cl)n1C[C@@]1(OC)CCOC1)[C@H]1CCS(=O)(=O)C1 1588045531 MHLNUGOKNGYBBL-KKSFZXQISA-N 464.975 2.031 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@@H]1CCOC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1588069428 NSPWETJRDCYCHB-WSTZPKSXSA-N 476.574 2.296 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1c(F)cccc1N1CCCC1 1588229391 WEOFDGKHJOQWOM-IBGZPJMESA-N 469.586 2.431 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2ncnn2C(C)(C)C)CC1 1588763141 SBMPVCCINVNBDG-UHFFFAOYSA-N 472.395 2.186 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@H]2CCCN2CCC)CC1 1588871674 MRRXWBDTRQGZOH-NRFANRHFSA-N 452.603 2.495 30 10 JEEE C#CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)Cc1ccc(C(N)=O)cc1 1589053207 KASXOSJQMOWLHK-UHFFFAOYSA-N 497.650 2.340 30 10 JEEE C=C(Cl)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@H](C(=O)OC)C1 1593833703 BONMFMPXSKMVGY-INIZCTEOSA-N 467.979 2.337 30 10 JEEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1594692767 FSVCXTFJBLSHIG-OAQYLSRUSA-N 488.658 2.463 30 10 JEEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@H](CC(N)=O)C1 1594692991 MIXHRBRIHJYEDU-QGZVFWFLSA-N 460.604 2.253 30 10 JEEE C=CCCOCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CC[C@@H](C(N)=O)C1 1594807002 AYKDOVDIRQOPFZ-QGZVFWFLSA-N 465.558 2.140 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)NC(C)C)n1C[C@]1(C)CN(C2CC2)C1=O 1595085267 STIKGEQDAPWVIR-VWLOTQADSA-N 461.570 2.491 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC[C@@H](c2noc(C(C)C)n2)C1 1595556690 ZAXSYWWCONUONV-QGZVFWFLSA-N 450.547 2.457 30 10 JEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](O)(c2ccc(F)cc2)C1 1595884270 IYZZHSDKNFVCJQ-KKSFZXQISA-N 466.604 2.336 30 10 JEEE CC[C@H](C)[C@](C)(O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1613098626 FQFZJVRSIKDRKJ-SLHLXQHXSA-N 490.630 2.135 30 10 JEEE CCN1CCN(CCCn2c(-c3cccc(C#N)c3)nnc2N2C[C@@H](C)O[C@@H](COC)C2)CC1 1615888581 FIUOPWWUKPTPCL-NFBKMPQASA-N 467.618 2.084 30 10 JEEE Cn1cnnc1[C@@H]1CCCN1c1nnc(COc2ccc(C#N)cc2)n1CCNC(=O)C(C)(C)C 1618455122 HLEYFTKTNWPIBT-IBGZPJMESA-N 477.573 2.361 30 10 JEEE COc1ccc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@@H](CC(N)=O)C2)cn1 1619290240 FYUQORNXTMMZAB-SFHVURJKSA-N 461.526 2.272 30 10 JEEE C=CCOC[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(C)c2)cc1)C(=O)OC 1634058374 AWPXMACPLRFFCE-LJQANCHMSA-N 450.488 2.409 30 10 JEEE C=CC(C)(C)CCCNC(=O)N1CC(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 1638168830 SQPYYCBAWFJZJI-UHFFFAOYSA-N 458.625 2.255 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H]1CC(=O)N(C2CN(C(=O)OC(C)(C)C)C2)C1 1638849366 HNGIGXLASCDHGA-LJQANCHMSA-N 453.543 2.476 30 10 JEEE C#C[C@@H](C)NC(=O)Nc1ccc(N2CCOCC2)c(S(=O)(=O)Nc2ccccc2OC)c1 1667015740 VCWHFQPIJYNLLT-MRXNPFEDSA-N 458.540 2.476 30 10 JEEE C=CCN(C(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)OC)C2)cc1)[C@@H](C)COC 1672849768 WMHUYZHQWLTKAI-IRXDYDNUSA-N 453.561 2.315 30 10 JEEE C#CCCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1689887017 MVYIZPKVLDTGNZ-WIYYLYMNSA-N 492.580 2.229 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)o2)n1Cc1cccc(NC(C)=O)c1)[C@H]1CCS(=O)(=O)C1 1689984063 KPSLEUPVVVSXMQ-FQEVSTJZSA-N 467.551 2.480 30 10 JEEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(C(F)(F)F)cc1C)[C@H]1CCS(=O)(=O)C1 1689987749 BQNVMWDOLRMLBJ-ROUUACIJSA-N 495.527 2.231 30 10 JEEE C#CCN(c1nnc(COCC)n1C[C@H](OC)c1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 1689995789 ACUIBNJZDNUVNE-OALUTQOASA-N 466.991 2.482 30 10 JEEE C#CCN(c1nnc(COCC)n1CCC1CCN(CC(F)(F)F)CC1)[C@H]1CCS(=O)(=O)C1 1689997216 XSVUHXMACKXUSE-SFHVURJKSA-N 491.580 2.106 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCc1cn2ccccc2n1 1690006234 LEHCLPPRRMXBIH-UHFFFAOYSA-N 458.547 2.312 30 10 JEEE C#CCN1CCN(c2nnc(C(C)(C)C)n2Cc2ccccc2CN2CCC[C@H]2CO)CC1 1690110635 UOVHQVPLBUNMQY-QHCPKHFHSA-N 450.631 2.336 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CCOc2ncccc2Cl)CC1 1690142301 KXNAXFUSPGIHNN-UHFFFAOYSA-N 465.945 2.433 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CC(C)(C)CN(C)C)CC1 1690146764 VVODDATWZWTFQA-JOCHJYFZSA-N 480.613 2.344 30 10 JEEE C#CCSCCn1c(-c2cccc(Br)c2)nnc1N1CCO[C@H](CNC(C)=O)C1 1690157731 NXCJLSHVHMJGEH-GOSISDBHSA-N 478.416 2.415 30 10 JEEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1690218882 VOVKLVRUIOHNSJ-UHFFFAOYSA-N 471.297 2.347 30 10 JEEE C=C(Br)Cn1c(N2CC(=O)N[C@@H]3CCCC[C@@H]32)nnc1[C@]1(OCC)CCOC1 1690233297 CBOHEGZBIGCRIX-VCBZYWHSSA-N 454.369 2.086 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)C(C)C)CC1 1690236809 RHRLBNCERWWZIE-AZUAARDMSA-N 467.574 2.211 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)C(C)C)CC1 1690237315 XPMNIZOADFQCAT-QUCCMNQESA-N 460.623 2.482 30 10 JEEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1690274805 DVMFZWWOHAXZEV-HRCADAONSA-N 456.613 2.204 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cc2cccnc2)n1C[C@]1(O)CCS(=O)(=O)C1 1690556225 QORJFQMEHGIXRV-XMMPIXPASA-N 483.594 2.015 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2OC)nnc1N1CCC2(CCOCC2)C1 1690729852 UDBWYNUEPDUEBJ-UHFFFAOYSA-N 476.599 2.473 30 10 JEEE COc1cc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CC2([S@@](C)=O)CC2)cc(OC)c1OC 1697251804 CKYMSMRJJUSREY-QTYPKTMWSA-N 463.535 2.324 30 10 JEEE N#Cc1ccc(OCc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H]2CCCCS2(=O)=O)cc1 1698488617 GMGZPADTGIXMKW-NQIIRXRSSA-N 458.519 2.138 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CN(CC(C)C)CCO1 1705481950 PHSWBYNWZXQJMA-UYAOXDASSA-N 459.616 2.163 30 10 JEEE C#CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(N(C)C(C)=O)CC1 1705515284 ZCNXLDSCNMVRCO-UHFFFAOYSA-N 461.570 2.443 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1Cc1ccc(F)cn1)[C@H]1CCS(=O)(=O)C1 1705563862 HBXOHGSBMCIDBE-SFHVURJKSA-N 455.515 2.163 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1CCc1cccnc1)[C@H]1CCS(=O)(=O)C1 1705564356 NEBPFYUNNLGXEB-IBGZPJMESA-N 451.552 2.218 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CC[C@H](C)N2CCCCC2)CC1 1705648785 YSPOOSLUYBAXMX-RBBKRZOGSA-N 456.635 2.402 30 10 JEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1705652633 HLLSXPXUZWEQLY-LJQANCHMSA-N 456.620 2.005 30 10 JEEE C=C(C)COCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCN(CC(=O)N(C)C)CC1 1705730252 FPOVKTWTTAJSKM-UHFFFAOYSA-N 478.601 2.138 30 10 JEEE C=C(C)COCCn1c(N2CCN(C(=O)c3ccccc3)CC2)nnc1[C@]1(OCC)CCOC1 1705740742 VVOOBJNXQOASAY-VWLOTQADSA-N 469.586 2.485 30 10 JEEE C=CCCOCCn1c(-c2cccnc2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1705828172 FNLJEECTGNOBEV-NRFANRHFSA-N 467.618 2.456 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c(N2CCN(C(=O)C(=O)NC3CC3)CC2)nnc1C(C)(C)C)C(C)C 1705869202 OXUOYFYJCOFVKQ-NRFANRHFSA-N 485.677 2.201 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](c2ccccc2C)C1 1705935853 FHBRQXRBPJATNX-OALUTQOASA-N 478.640 2.083 30 10 JEEE C=CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1705944785 RUMRLEZXXITXLU-UHFFFAOYSA-N 451.556 2.257 30 10 JEEE C[C@H](C#N)CN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cccc(CO)c1 1706072621 GCGIZHVJZDEQOE-MRXNPFEDSA-N 453.572 2.375 30 10 JEEE CCc1ccccc1OCc1nnc(N2CC[C@](F)(C#N)C2)n1CCNC(=O)c1cc[nH]n1 1708947174 BTMZGWWVZGOWMB-QFIPXVFZSA-N 452.494 2.015 30 10 JEEE CNC(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC[S@](=O)C(C)(C)C)C1 1711347701 FCNPDWKOFPYTGN-XHVUARLKSA-N 472.615 2.238 30 10 JEEE CO[C@@H]1COCC[C@H]1Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)C[C@@H](C)C#N 1712097502 BWXSEGZSEBGSLL-YSIASYRMSA-N 454.579 2.099 30 10 JEEE COCC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCCC[C@H]2C)CC1 1712106620 CJUKQNUDKSOSEX-OAQYLSRUSA-N 495.628 2.288 30 10 JEEE CSC1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(CC(=O)NC(C)C)CC2)CC1 1712753585 CZTJFHQENMGMSV-UHFFFAOYSA-N 453.616 2.359 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@]1(C)CCCS1)[C@H]1CCS(=O)(=O)C1 1722365805 PKOADJYCUZFDCI-NYVOZVTQSA-N 482.672 2.231 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H](CC(C)C)NC(=O)OCC 1722380164 GKUJFANGRGNGHY-IBGZPJMESA-N 489.580 2.426 30 10 JEEE C#CCN(CCOC)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C 1722422398 QTMNMXYWTAVJOA-CYFREDJKSA-N 477.606 2.416 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)CN(C)C(=O)OC(C)(C)C)CC1 1722431002 DLNSAMBHIVPKKR-LJQANCHMSA-N 496.616 2.184 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCOc2c(C)cccc2C)CC1 1722441860 VUYHGEIZHFUOQC-UHFFFAOYSA-N 466.586 2.078 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC[C@H](C)N2CCCCC2)CC1 1722443140 DCXRIMZGLSXBHK-LVXARBLLSA-N 486.661 2.161 30 10 JEEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1722524038 IAMHGOBQBNGNQT-SJORKVTESA-N 469.608 2.176 30 10 JEEE C=CCCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(NS(C)(=O)=O)CC1 1722600137 MEEBIVDZPSXTOD-UHFFFAOYSA-N 471.587 2.468 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCCN(C(=O)c2ccccc2F)CC1 1722696900 UGLNPJQZHCLXJW-UHFFFAOYSA-N 463.517 2.134 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1722701842 GHSUOTSDXIARSN-FQEVSTJZSA-N 460.542 2.377 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1722703193 WHQVVBJMTOZQDA-ILZDJORESA-N 486.621 2.074 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CCc1cnn(-c2ccccc2)c1 1723927527 FRYPVYOSMHEVNT-GOSISDBHSA-N 482.614 2.447 30 10 JEEE CS(=O)(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(N2CCCCC2=O)CC1 1731003634 HJAVZHBNSKFYFX-UHFFFAOYSA-N 470.599 2.233 30 10 JEEE C#CCCCCn1c(Cc2csc(C)n2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1740576023 XIXAEBOHKBOOAG-UHFFFAOYSA-N 450.634 2.298 30 10 JEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1740581790 FXYVHKJCBAINMJ-UHFFFAOYSA-N 492.609 2.002 30 10 JEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(=O)Cc2cccc(F)c2)CC1 1740590997 LEICKSQZCRXYLA-FQEVSTJZSA-N 487.601 2.014 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCc1ccncc1)[C@H]1CCS(=O)(=O)C1 1740618450 HYGFROUSERLIHJ-KRWDZBQOSA-N 489.399 2.300 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1CCOc1ncccc1Cl)[C@H]1CCS(=O)(=O)C1 1740620265 CWJWLFFEDGDKEA-INIZCTEOSA-N 472.958 2.094 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H](OC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1740621636 XXFJXXKKLKKQPQ-WIYYLYMNSA-N 476.599 2.260 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H](c1c(F)cccc1F)N(C)C)[C@@H]1CCS(=O)(=O)C1 1740621777 PADFGTWJOBFBLX-OXQOHEQNSA-N 488.564 2.481 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H](c1ccccc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1740628908 WEZVJSAYEJJAKM-QHAWAJNXSA-N 457.600 2.059 30 10 JEEE C#CCN(CC#CC)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@H]1CCN(S(C)(=O)=O)C1 1740657063 UANQNFDINHUGSY-IBGZPJMESA-N 464.595 2.095 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC2(C)CCOCC2)CC1 1740696257 PMKVFIXGMXNVGR-HXUWFJFHSA-N 488.633 2.158 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2Cc2csc(COC)n2)CC1 1740700232 KUANRDKOCWLJAI-UHFFFAOYSA-N 468.583 2.272 30 10 JEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1c1ccc2c(c1)OCCO2 1740708813 CFYWEFQKWUFFSM-FUHWJXTLSA-N 491.639 2.367 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CC(C)(C)CN1CCOCC1 1740756998 MKPWDRYCEFKOMD-ZJOUEHCJSA-N 460.623 2.005 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccc2OC)nnc1N1CCO[C@@H](CNC(C)=O)C1 1740758834 CLCFOKSRGPBCNK-DPLHUUCSSA-N 469.586 2.200 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccc2OC)nnc1N1CCN(C(=O)COC)CC1 1740759484 JPHKGNDNAOIVAY-RDPSFJRHSA-N 469.586 2.154 30 10 JEEE C=C(C)COCCn1c(CCc2ccc(OC)cc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1740795909 IFBVAWXNAMUNOP-UHFFFAOYSA-N 464.570 2.321 30 10 JEEE C=CC[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)NCC)CC1)c1ccccc1 1740853346 BKKQBVONADUPEN-ICSRJNTNSA-N 489.646 2.100 30 10 JEEE C=CCNC(=O)Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1740962893 RMPTZWUXDXHZBB-PKOBYXMFSA-N 487.004 2.269 30 10 JEEE Cc1cc(C)n(Cc2nnc(N3CCC(C#N)CC3)n2C[C@H](N2CCOCC2)C(F)(F)F)n1 1742694140 DFQIZOSITXTDGW-SFHVURJKSA-N 466.512 2.143 30 10 JEEE CCc1nn(C)c(OC)c1Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@](C)(C(=O)NC)C1 1744510475 HFPRHSNKFHXLCZ-DEOSSOPVSA-N 462.558 2.132 30 10 JEEE CNC(=O)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1748269278 GZNTVSCMLZEGKO-SJORKVTESA-N 493.547 2.070 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)Nc3ccccn3)n2Cc2c(C)nn(C)c2C)c1 1748690461 SHOOMHGDQUZWPJ-UHFFFAOYSA-N 497.563 2.380 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1Cc1ccc(C)n(C)c1=O)[C@@H]1CCS(=O)(=O)C1 1748809475 UFUPROZBCJENSC-JOCHJYFZSA-N 479.606 2.190 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1ccccc1OCC)[C@H]1CCS(=O)(=O)C1 1748817537 LXRYZQDVNQSLPE-UXHICEINSA-N 458.584 2.246 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1ccc(NC(C)=O)nc1 1748825053 OBQHOYRPAAXMCP-UHFFFAOYSA-N 475.940 2.336 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc(Cl)nc3)n2C[C@@]2(C)COCCO2)n1 1748970767 RELYQOWHYBOMJS-QHCPKHFHSA-N 485.976 2.282 30 10 JEEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1749387283 XKGWOCDACIOYMF-UHFFFAOYSA-N 466.590 2.026 30 10 JEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1749629843 ISBSUJGNCPISRL-FHWLQOOXSA-N 492.621 2.140 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1749655239 FOIZCBMJSFVSCR-UHFFFAOYSA-N 486.573 2.179 30 10 JEEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1749672087 PSNYTASDXKMSME-KRWDZBQOSA-N 487.555 2.032 30 10 JEEE CSC1(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCN2CCOCC2)CCN(C)CC1 1750257930 BMTBUWZGELWIHI-UHFFFAOYSA-N 469.659 2.413 30 10 JEEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2F)n1CCCN1CCC[C@H]1C(=O)N(C)C 1760123374 DUMJCHNSIOSICB-ICSRJNTNSA-N 456.566 2.397 30 10 JEEE C#CCCCn1c(COc2ccccc2OC)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1760158303 IXJIYUJDPUZMAQ-NRFANRHFSA-N 466.542 2.046 30 10 JEEE C#CCN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCNC(=O)c1ccco1 1760224444 KWWCCISHDZYHNS-UHFFFAOYSA-N 454.918 2.344 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@H]2CC[C@H](CO)O2)CC1 1760265933 MFBFRFPFUVWPLJ-YSIASYRMSA-N 485.560 2.063 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CCc2ccc(OC)cc2OC)CC1 1760272028 WJLBKKNUUVFAGD-UHFFFAOYSA-N 488.592 2.490 30 10 JEEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1760272610 PRGCJMAVKMDSNA-GOSISDBHSA-N 462.664 2.252 30 10 JEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCN([C@H](C)c2nccs2)CC1 1760359873 MRWWDUJPPIYTOV-GOSISDBHSA-N 459.620 2.333 30 10 JEEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1760507505 KVCFQEICUTUAFX-UHFFFAOYSA-N 486.642 2.106 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCN(C2CCOCC2)CC1 1760517912 BWURPZRITYCDKQ-UHFFFAOYSA-N 498.628 2.344 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1760529693 FOIKGTHQNUXKJY-LJQANCHMSA-N 455.950 2.283 30 10 JEEE CC(=O)N1CCC[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N(C)CC(=O)NC(C)(C)C)C1 1760591906 UVJIOCMEDNUPIX-LJQANCHMSA-N 451.575 2.426 30 10 JEEE CS(=O)(=O)c1cccc(-c2nnc(N3CCC(CC#N)CC3)n2C[C@H]2CCCN2CCCO)c1 1771343632 GCAHFUUCZYVILT-OAQYLSRUSA-N 486.642 2.325 30 10 JEEE CC(=O)Nc1nnc(S(=O)(=O)N[C@](C)(C#N)CCc2ccc(Br)cc2)s1 1858060399 KXIMLKYVSKCROV-HNNXBMFYSA-N 458.363 2.452 30 10 JEEE C=CCN(CC=C)C(=O)[C@@H](Cc1ccc(OC(C)=O)cc1)NC(=O)c1cccn(CC)c1=O 1862016804 IQKBMJNDCDBNRV-JOCHJYFZSA-N 451.523 2.335 30 10 JEEE COc1cc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2CCCNC=O)cc(OC)c1OC 1862567701 YMFKCFCEXKDQLU-HXUWFJFHSA-N 469.494 2.009 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H](C)O)[C@H]2c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 1862697996 XTHFEXNDHLFPIN-ODXCJYRJSA-N 470.434 2.334 30 10 JEEE CCOC(=O)N1CCN(C(=O)[C@@H](NC(=O)C2CCN([C@@H](C#N)c3cccs3)CC2)C(C)C)CC1 1868784119 VNGBRGJAYQVUTE-FPOVZHCZSA-N 489.642 2.466 30 10 JEEE C=CCN(CC=C)c1nc(NC(=O)/C=C/c2ccc(OC)c(OC)c2)n([C@@H]2CCS(=O)(=O)C2)n1 1870002060 ATUPWKMWDQGNQW-XSFOEPMVSA-N 487.582 2.485 30 10 JEEE CCCCCCCCCCn1cc(OCC(=O)N2CCOCC2)c(=O)cc1CN1CC(O)C1 1870584184 QZTFVXUJGBSNDE-UHFFFAOYSA-N 463.619 2.403 30 10 JEEE C=CCn1c(C(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)cc2c(N3CCC(CO)CC3)ncnc21 1873653335 CXQRZJOJYOLCIO-UHFFFAOYSA-N 474.521 2.304 30 10 JEEE C=CCNC(=O)c1nc(C(=O)N2CCC[C@@H](N(C)c3ncc(Br)cn3)C2)cs1 1890608686 VFNFBHQKASAADK-CYBMUJFWSA-N 465.377 2.352 30 10 JEEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)nc2)CCN1C(=O)OC(C)(C)C 1965791832 MWXIZJNOMMPBFJ-UHFFFAOYSA-N 467.548 2.347 30 10 JEEE Cn1cc([C@H](NC(=O)OC(C)(C)C)C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)nn1 2180970872 SKQSAMPZMMZWPA-KRWDZBQOSA-N 457.340 2.319 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NC[C@]2(F)COCCN(C(=O)OC(C)(C)C)C2)C1 2266521290 BXDXARJEXSWYFE-AVBDTAHFSA-N 469.554 2.385 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]1CNS(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2267372279 LYGBYFGCOALTGJ-JKSUJKDBSA-N 466.409 2.425 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2CCO[C@]2(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C1 2268643650 JFPGIYZWENKDPM-LRTDBIEQSA-N 465.381 2.407 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2268656238 UZMLHVVXMXRSLN-ZDUSSCGKSA-N 463.369 2.240 30 10 JEEE Cc1oc(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 2281805885 FEGMOBVCVWJLSW-ZACQAIPSSA-N 462.352 2.251 30 10 JEEE Cc1c(C(=O)N[C@@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281989108 VNSWKLHUEMOHOS-HZPDHXFCSA-N 462.400 2.451 30 10 JEEE Cc1nc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2CO)c(B2OC(C)(C)C(C)(C)O2)s1 2282016859 COZNXKLRSXXWSV-LSDHHAIUSA-N 481.424 2.098 30 10 JEEE C[C@@H](CNC(=O)c1ccoc1B1OC(C)(C)C(C)(C)O1)N1CCN(C(=O)OC(C)(C)C)CC1 2282193438 LHSXURDROONEIS-INIZCTEOSA-N 463.384 2.250 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2C(CNC(=O)c3ncc(B4OC(C)(C)C(C)(C)O4)cc3F)[C@@H]2C1 2282536484 CVYBJMKYUCPZDJ-HOTGVXAUSA-N 461.343 2.363 30 10 JEEE Cc1cc(C(=O)N[C@]2(CO)CCCN(C(=O)OC(C)(C)C)C2)oc1B1OC(C)(C)C(C)(C)O1 2282581128 CXGVACZKLIPVEX-HSZRJFAPSA-N 464.368 2.379 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](NS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)C12CC2 2282833522 YBTNIVSSSIPDDU-OAHLLOKOSA-N 499.464 2.404 30 10 JEEE COC(=O)[C@H](CC(=O)N(C)Cc1ccc(B2OC(C)(C)C(C)(C)O2)s1)NC(=O)OC(C)(C)C 2283916847 WPPRJZKDBVMSST-HNNXBMFYSA-N 482.408 2.462 30 10 JEEE CC(C)(C)OC(=O)NC[C@H](O)CCC(=O)N1Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C1 2283975667 ZRJHTKNJVYJJDW-LJQANCHMSA-N 460.380 2.494 30 10 JEEE C[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)OC(C)(C)C)c1cscc1B1OC(C)(C)C(C)(C)O1 2284037100 CMVQVCNDXBGOBY-CJNGLKHVSA-N 481.424 2.383 30 10 JEEE C=CCN(CC(=C)B1OC(C)(C)C(C)(C)O1)C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 2284126834 UDKHKGPZLPZCPO-QGZVFWFLSA-N 484.424 2.223 30 10 JEEE CCCCn1c(N2CCN(C)CC2)c(C=C2SC(=S)N(CCOC)C2=O)c(C)c(C#N)c1=O 2314460786 YLLKBZQQSHJALY-UHFFFAOYSA-N 489.667 2.428 30 10 JEEE COc1cc(C=Nn2c(CNC(C)=O)nnc2SCC(N)=O)ccc1OCCc1ccccc1 2330743865 HSHLSDYEEKLAPC-UHFFFAOYSA-N 482.566 2.004 30 10 JEEE COCCc1nnc(SCC(=O)OCC(C)C)n1N=Cc1cc2c(cc1[N+](=O)[O-])OCCO2 2331305476 HMNKDKOOAMKDRG-UHFFFAOYSA-N 479.515 2.320 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H]3CC[C@@]3(NC(=O)OC(C)(C)C)C2)n1C 2362333229 RLZRBQXLKWZJKI-NPMXOYFQSA-N 460.384 2.157 30 10 JEEE CCON(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nc(C)n1C)C1CN(C(=O)OC(C)(C)C)C1 2362339586 KSRHCYPUWAFWDP-UHFFFAOYSA-N 464.372 2.041 30 10 JEEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)C1NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2362454939 FRYYCQYSVSLGMN-HUUCEWRRSA-N 462.400 2.341 30 10 JEEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)OCC(=O)NC(N)=O)c1 3492195 NSDDZSUYDPWDFX-UHFFFAOYSA-N 451.888 2.073 30 10 JEEE COc1ccc(CCN2C(=O)N[C@@](C)(C3CCN(C(=O)C4=CC(=O)CC(C)(C)O4)CC3)C2=O)cc1 11814751 NWGSPHYTKKWMGM-SANMLTNESA-N 483.565 2.439 30 10 JEEE CCOC(=O)[C@@H]1CCCN(c2nc3c(c(=O)[nH]2)[C@@H](c2ccccc2Cl)[C@@H](C#N)C(=O)N3)C1 72445699 UTTZOODSQWSRAS-XPKDYRNWSA-N 455.902 2.427 30 10 JEEE NS(=O)(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2c2ccccn2)cc1 170353383 JNHLXPNDVJAKTO-IBGZPJMESA-N 480.458 2.420 30 10 JEEE CC(=NNc1nc2c(c(=O)nc(O)n2C)n1C[C@@H](O)COc1ccccc1)c1ccc([N+](=O)[O-])cc1 254760405 XWYYZDGDGYEFKV-QGZVFWFLSA-N 493.480 2.020 30 10 JEEE C=CCN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)Cc1cccc([N+](=O)[O-])c1 567937487 LXZVZNXYMCXDEI-UHFFFAOYSA-N 458.540 2.116 30 10 JEEE COc1ccc(CCn2c(=C(C#N)C(=O)NCC(C)C)sc(=Cc3ccccc3)c2=O)cc1 590904687 CDLSGNTWQIHFHI-UHFFFAOYSA-N 461.587 2.436 30 10 JEEE C#C[C@@]1(O)CCCN(C(=O)c2cc(I)cc(I)c2O)C1 708172833 QQSBLJLEPNSYDK-CQSZACIVSA-N 497.070 2.202 30 10 JEEE C[C@H](c1ccccc1)n1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cnn3ccccc23)c1=O 729669615 SCCAQIMUJWWIED-GOSISDBHSA-N 469.570 2.292 30 10 JEEE CC(=O)N1CCN(C(=O)[C@@H](OC(=O)CSc2nc(O)cc(C(F)(F)F)c2C#N)C(C)C)CC1 925051045 HMNRHRXLLNJWMD-KRWDZBQOSA-N 488.488 2.028 30 10 JEEE O=C(CSc1n[nH]c(NN=Cc2cc([N+](=O)[O-])ccc2O)n1)Nc1ccc2c(c1)OCCO2 1084504054 YMXSRPYYXATRBP-UHFFFAOYSA-N 471.455 2.367 30 10 JEEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ncc(I)cc2C)cc1 1182833029 XOHCGANMUUREOA-UHFFFAOYSA-N 455.277 2.158 30 10 JEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1(SC)CCN(C)CC1 1286370369 KYYCJZIOXXUCHL-UHFFFAOYSA-N 461.661 2.135 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H](C)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1286388356 NWLLRYBHNBKCKJ-AZUAARDMSA-N 487.626 2.073 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1CCOc1ccc(Cl)cn1)[C@H]1CCS(=O)(=O)C1 1286391275 CFAZGXVSYPRPDZ-KRWDZBQOSA-N 451.980 2.231 30 10 JEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1C[C@](C)(O)C1CC1)[C@H]1CCS(=O)(=O)C1 1286391939 FZRRBIOIBAXPGT-UGKGYDQZSA-N 463.003 2.310 30 10 JEEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2C[C@@H]2CN(CC(C)C)CCO2)CC1 1286483181 AHHLPDCXJUBQOT-DEOSSOPVSA-N 466.630 2.012 30 10 JEEE C=C(Br)Cn1c(-c2ccccn2)nnc1N1CCN(c2nccc(OC)n2)CC1 1286532661 IYLCOUTZZGMVJZ-UHFFFAOYSA-N 457.336 2.374 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1286778483 BEFJIXUWEPMFOP-OXQOHEQNSA-N 469.521 2.171 30 10 JEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@](O)(Cc2cccc(Cl)c2)C1 1286789466 DWQJGNHMCMNYDJ-DEOSSOPVSA-N 484.004 2.279 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)C1 1286810151 NXEIDFQHUMRHOD-KZNAEPCWSA-N 483.635 2.217 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1286815186 NZDSIIVSMRZLDS-HOTGVXAUSA-N 452.920 2.313 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC(S(=O)(=O)CC)CC1 1286818084 BNIQSYJBZWOSEX-UHFFFAOYSA-N 491.639 2.431 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCCN(c2nccs2)CC1 1286818974 VHDPVVJDADQTTB-UHFFFAOYSA-N 461.617 2.058 30 10 JEEE CCN(CC)C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1295505637 GRSPNQOAGCJAHG-SFTDATJTSA-N 485.658 2.266 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2c(c1)[C@@H](C)[C@@H](C)O2 1300307519 GAQPOJBQVDGBEM-OPOADAIRSA-N 473.599 2.002 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1300595486 CCCJDTYPAGOIPJ-ZCNNSNEGSA-N 483.535 2.118 30 10 JEEE C#CCSCCn1c(COc2ccccc2OC)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1300776445 JUNSIMRKOPCPQN-KRWDZBQOSA-N 464.613 2.246 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC(C)(C)C1 1300884356 JUSVJHWTGBBZPV-QRVBRYPASA-N 467.636 2.219 30 10 JEEE COCC[C@](C)(O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC(C#N)CC1 1301437223 FQXHNGUSCNIPHA-QHCPKHFHSA-N 459.547 2.498 30 10 JEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2cc(C)ccc2C)CC1 1301510422 XRXQMEMMILHSIW-UHFFFAOYSA-N 462.602 2.385 30 10 JEEE Cc1nc(-c2ccccc2)sc1-c1nnc(N2CC[C@](F)(C#N)C2)n1CCNS(C)(=O)=O 1304057002 HLJPSHJJCZOILE-FQEVSTJZSA-N 475.575 2.368 30 10 JEEE CN(C(=O)CN1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)c1nc2ccccc2s1 1307571199 CMHNMEKOHBFICF-UHFFFAOYSA-N 455.565 2.137 30 10 JEEE CCN(C)C(=O)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CC[C@@](F)(C#N)C1 1313551453 AOGZSRHJTFDLNN-HSZRJFAPSA-N 466.521 2.156 30 10 JEEE CO[C@@H](C)c1nc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@H](C(N)=O)C2)cs1 1315150014 GJTWEYNNCUODAV-GOEBONIOSA-N 467.555 2.253 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC[S@@](=O)C(C)(C)C 1358878484 XMDQSNXITLRVQT-BEIWTESXSA-N 465.645 2.201 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cnc(C)s2)c1 1358902254 IQIZWYXHVNNQJO-QGZVFWFLSA-N 484.607 2.050 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 1358956862 LQSNWOLCXHISHX-FGTMMUONSA-N 462.547 2.363 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H](c1cccs1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1358960508 GGSZHUHPBLYMHZ-MOPGFXCFSA-N 470.624 2.331 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(C3CCCC3)n2Cc2ccc(C)n(C)c2=O)n1 1359028663 ZWDNFCSKZSLWPK-UHFFFAOYSA-N 463.586 2.474 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC2(O)CCOCC2)CC1 1359042911 YUEXCNFTLJFCLQ-UHFFFAOYSA-N 475.952 2.245 30 10 JEEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1359048707 ZWTQJFDIORGENV-UHFFFAOYSA-N 484.626 2.231 30 10 JEEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@H](CC)C1 1359050728 ANLUVXNOUJQADI-GOSISDBHSA-N 463.629 2.177 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1359096041 WBZMUNZTNQPSQU-NYVOZVTQSA-N 485.585 2.285 30 10 JEEE C=CCCOCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](CC(N)=O)C1 1359228298 ZDBUHICGUJYEEF-RTBURBONSA-N 492.621 2.271 30 10 JEEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCc2cc(F)ccc2C1 1359304224 QRQTZLDXDOEJNP-UHFFFAOYSA-N 454.531 2.274 30 10 JEEE C=CCNC(=O)Cn1c(N2CC[C@@H](c3ccc(OC)cc3)C2)nnc1[C@@]1(OCC)CCOC1 1359305934 QXUKMKBKIWMQHM-NTKDMRAZSA-N 455.559 2.235 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1359333009 MEJVTKYRGIBVPD-UHFFFAOYSA-N 473.599 2.200 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1359333739 IJCCFBAPAZEXFK-KRWDZBQOSA-N 494.687 2.366 30 10 JEEE COc1ccc([C@@H]2CCN(S(=O)(=O)N(C)[C@@H](C)CC#N)C[C@@H]2NC(=O)C(F)(F)F)cc1F 1464022595 BGEJMEYNMHIESP-NOLJZWGESA-N 480.484 2.149 30 10 JEEE C#C[C@H]1CCCN(CC(=O)NCCN2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)C1 1473588568 YDKCGMPTXBZZHN-VUQQOUJSSA-N 457.577 2.078 30 10 JEEE N#CCC1(CS(=O)(=O)NCc2cccc(S(=O)(=O)NCc3cccc(F)c3)c2)CC1 1474857944 CJBBPPLXMTVVIA-UHFFFAOYSA-N 451.545 2.417 30 10 JEEE CC[C@H](C)NC(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1496247936 FWQFJTSQXOTKML-UWJYYQICSA-N 462.558 2.433 30 10 JEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)N(C)[C@H](C)c1ccccc1 1507592232 QYSVKUACKSXYLM-QUCCMNQESA-N 457.600 2.249 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)Nc2ccccn2)n1CCc1n[nH]c(C)n1 1507700135 OFIQWLHDKSGSFJ-UHFFFAOYSA-N 459.489 2.374 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCO[C@H]1C(C)C 1507705488 DPHLGZXPFHXRPN-CTNGQTDRSA-N 460.600 2.496 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCOc2ncccc2Cl)CC1 1507735891 AIUFPLMVYGUZAI-UHFFFAOYSA-N 453.934 2.366 30 10 JEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CC[C@H](N(C)Cc2ccccc2)C1 1507752787 FUYBRTPQBZTCJT-NRFANRHFSA-N 452.628 2.478 30 10 JEEE C=C(Br)Cn1c(-c2ccccn2)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1507783049 CMPANLNLYKADRJ-HNNXBMFYSA-N 470.393 2.279 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1507785815 TUELEQWHYXLMOT-HZPDHXFCSA-N 474.425 2.085 30 10 JEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(c2ncccc2F)CC1 1507967050 GNGGAVPFPAWEEL-GOSISDBHSA-N 478.594 2.024 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@]2(CCC(=O)N2)C1)C(C)C 1508012180 YSFXXJGQCHWDKR-NBGIEHNGSA-N 469.634 2.072 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1508086035 KJFGZCZKALNLEE-UHFFFAOYSA-N 469.565 2.038 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1Cc1ccccc1Cn1cccn1 1510186764 HVXGXUBRWUHWHE-SFHVURJKSA-N 482.614 2.311 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1ccc(OCC)cc1)[C@H]1CCS(=O)(=O)C1 1539224535 HYYIDZQJCFASLL-NRFANRHFSA-N 465.579 2.338 30 10 JEEE C#CCN(c1nnc(COc2ccccc2CC)n1C[C@H]1CCCOC1)[C@@H]1CCS(=O)(=O)C1 1539229842 ITDYBWNFBFRRKH-TZIWHRDSSA-N 472.611 2.473 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccco1)N1CCCC1 1539322933 AUDLYALNMKRFBP-UXHICEINSA-N 455.584 2.073 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1CC(F)(F)CO1 1539395692 HDHQQLOOLUMYDM-KRWDZBQOSA-N 467.904 2.372 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H](OC)c2ccc(F)cc2)CC1 1539430538 KXYCTWBQIZDOJG-XUZZJYLKSA-N 457.550 2.212 30 10 JEEE C=C(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1539682077 GMSAACGENHWFID-GOSISDBHSA-N 451.531 2.196 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1539706647 NMXHFVVTEWLRDX-MSOLQXFVSA-N 498.650 2.023 30 10 JEEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)CC(C)(C)C1 1539751255 JJHLBWNGAXEJDK-ROUUACIJSA-N 455.625 2.076 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1540906827 CWHXXPWVBWRJPP-GBXCKJPGSA-N 490.626 2.459 30 10 JEEE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCN(C(C)=O)C2)C1 1540937938 HHMNMXWBXFPYRR-YADHBBJMSA-N 463.586 2.380 30 10 JEEE C[C@@H](CN1CCCC1)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1541874388 FMGMPXZOJQMLRX-ICSRJNTNSA-N 472.615 2.084 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1Cc1ccc(C(C)(C)O)cc1 1541925361 BCFVLTOQNCCHAC-INIZCTEOSA-N 460.604 2.294 30 10 JEEE CCN1CCC[C@H]1CN1C[C@@H](C(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)CC1=O 1546185047 FZKMXSBZDYABTL-UNMCSNQZSA-N 451.571 2.068 30 10 JEEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1Cc1cccc(OCCN(C)C)c1 1546532305 HAMVUOGSOGROOJ-LJQANCHMSA-N 475.601 2.206 30 10 JEEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1548314350 CCDBAUWQFSDRCS-CJNGLKHVSA-N 457.478 2.407 30 10 JEEE COC[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCC[C@H]2C(=O)N(C)C)C1 1555361760 FLRZYDDMCXGYIH-IRLDBZIGSA-N 465.602 2.232 30 10 JEEE C=C[C@@H](C)ONC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCN(C)CC1 1562064200 MYRFQAKFUNENKG-QGZVFWFLSA-N 451.593 2.241 30 10 JEEE C#CCNC(=O)CN1CCN(C(=O)C[C@@H]2CCN(C(=O)OC(C)(C)C)c3ccccc32)CC1 1568701883 YDAFJKFYVBWBPZ-IBGZPJMESA-N 454.571 2.199 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cccc(C(N)=O)c1 1587638307 CUPRRAZOCONCLS-LPHOPBHVSA-N 468.558 2.192 30 10 JEEE C#CCCCCn1c([C@H]2CCCOC2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1587766484 VSNZPVHEXZNFIF-FCHUYYIVSA-N 450.587 2.324 30 10 JEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(N2CCc3ccccc32)CC1 1587809044 XWVPTOABVSYPPH-SFHVURJKSA-N 456.616 2.333 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CC[C@H](F)C1)[C@H]1CCS(=O)(=O)C1 1588035896 ZHXRCNDOZCOUTP-GHDARCQNSA-N 468.595 2.084 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCN(C)Cc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1588054247 MKQFJBWEHVPYST-VXKWHMMOSA-N 489.617 2.418 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCc1ccccc1OCC)[C@H]1CCS(=O)(=O)C1 1588055260 ULQOFTAMVQCLFQ-RTWAWAEBSA-N 472.611 2.440 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC[C@@H]2CCO[C@H](C)C2)CC1 1588968612 NNJCDYINPQMRCH-WKDRNLAYSA-N 473.618 2.173 30 10 JEEE C#CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1589052949 AZAUPCXPJGEQTA-OAHLLOKOSA-N 488.561 2.372 30 10 JEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 1589060590 UKRGNTWSFPHIOJ-IRXDYDNUSA-N 462.620 2.337 30 10 JEEE C=C(C)COCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCO[C@@H](CNC(C)=O)C1 1593729284 JVAQXCODVHRRSE-IBGZPJMESA-N 452.559 2.371 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCC(N2CCCCC2=O)CC1 1595556595 YNDHQUHYQZJFBI-UHFFFAOYSA-N 454.550 2.292 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@@H](NC(C)=O)C1 1595766512 RDUCEGGADYRYRN-QGZVFWFLSA-N 483.541 2.252 30 10 JEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nc(C)cs2)CC1 1595884976 XTIMJYYVDSXMAL-MRXNPFEDSA-N 468.674 2.191 30 10 JEEE CC(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C2CC2)N(C)C)CC1 1596513845 GSZFQBBTSJNKES-JOCHJYFZSA-N 451.575 2.174 30 10 JEEE Cc1ccc(C(=O)NCCn2c(C(C)C)nnc2N2CCN(c3c(C#N)c(C)nn3C)CC2)cc1 1611975827 FOHABVPLPVFGPB-UHFFFAOYSA-N 475.601 2.380 30 10 JEEE CCOC(=O)[C@@H]1S/C(=N/C(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)N(C)[C@H]1C 1613976232 YBVCFXCUTWBRKX-KCSJEJKCSA-N 471.576 2.108 30 10 JEEE CCS(=O)(=O)CCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCO[C@@H](C#N)C1 1617327571 FVOIUBAELZQALI-SFHVURJKSA-N 461.588 2.452 30 10 JEEE C=CCC1(O)CCN(CC(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCCCC3)c2)CC1 1644570875 QRXBXILBMCVKEE-UHFFFAOYSA-N 451.589 2.211 30 10 JEEE C#Cc1cccc(NC(=O)NC(=O)CN2CCN(c3ccc([N+](=O)[O-])c(OCC)c3)CC2)c1 1653479690 DLDYUJNVUZPETN-UHFFFAOYSA-N 451.483 2.445 30 10 JEEE C#C[C@H](NC(=O)NCc1ccccc1S(=O)(=O)N(C)CCO)c1ccc(Cl)cc1F 1678443818 GBDTVFNCAQXWSN-SFHVURJKSA-N 453.923 2.266 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@](C)(O)[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1689982592 QJCGBAIGASXLJL-MONBJTKQSA-N 455.584 2.241 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1689999936 NAKXFNCOAPZFIU-RDPSFJRHSA-N 467.957 2.272 30 10 JEEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC1(S(C)(=O)=O)CC1 1690018079 TUVJRCCKTOAWFI-UHFFFAOYSA-N 475.615 2.043 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1690096466 ULGSAWVQCWOZTF-GBXCKJPGSA-N 488.610 2.163 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@@H]2CCN(CC(F)(F)F)C2)CC1 1690142946 YPYHGOJYQKGUPG-QGZVFWFLSA-N 477.535 2.134 30 10 JEEE C=C(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1690280011 SIBKFWIVCUQGLS-UHFFFAOYSA-N 451.535 2.412 30 10 JEEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1690319454 NNFTYRGVKCWGJT-SFHVURJKSA-N 455.588 2.039 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCN1CCN(C(C)=O)CC1 1690602627 UAGUJUXZVMJZPG-OYRHEFFESA-N 487.649 2.391 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1690675765 DQKDIOUSVBAEPB-UHFFFAOYSA-N 485.564 2.025 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3ccccc3n2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1690719253 IZFXGLMVKVLIQO-IRXDYDNUSA-N 491.639 2.352 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1ccc2c(c1)OCO2 1690729115 GWWKAFPKSOAZOR-UHFFFAOYSA-N 472.571 2.106 30 10 JEEE COc1cc(C)ccc1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1697242703 GZRKAQPQOWVPMH-SFHVURJKSA-N 489.584 2.158 30 10 JEEE C#CCN(c1nnc([C@H]2COc3ccccc3O2)n1CCCOCC(F)F)[C@@H]1CCS(=O)(=O)C1 1705564484 CKIBTDRKPJNAFZ-VQIMIIECSA-N 496.536 2.089 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1Cc1cc(F)ccc1OC)[C@@H]1CCS(=O)(=O)C1 1705565168 SXKUNGPLLRBFKH-GOSISDBHSA-N 457.531 2.106 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1CCS(=O)(=O)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1705570407 MXUCOYGCYKGTSE-FQEVSTJZSA-N 492.667 2.108 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cscc2C(F)(F)F)CC1 1705631782 PVTOKFZJYDHIEG-UHFFFAOYSA-N 452.506 2.398 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2cccc(C(=O)NC)c2)CC1 1705634326 RNKHWGDAVPGITH-UHFFFAOYSA-N 482.386 2.199 30 10 JEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCCN(Cc2ccc(OC)cc2)C(=O)C1 1705664138 KMDHNUDMPKCODI-UHFFFAOYSA-N 496.637 2.014 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)Oc1ccccc1OC 1705666684 GVXPEPFNRDABAM-PNLZDCPESA-N 461.588 2.357 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(C)nn1C 1705863478 UYUMWLZPOUSLHE-MRXNPFEDSA-N 461.567 2.310 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(=O)c2ccccc2)CC1 1705909269 RUBIJJDGALFFAN-IFMALSPDSA-N 480.613 2.461 30 10 JEEE CC(=O)N1CC[C@H](CN(C)c2nnc(COc3ccc(C#N)cc3)n2Cc2nnc(C)s2)C1 1705966360 GFFVCQGKWAUFDO-GOSISDBHSA-N 466.571 2.242 30 10 JEEE C[C@H](CC#N)N(C)c1nnc(CN2CCCC2=O)n1C[C@@H](c1cccs1)N1CCOCC1 1706749735 BYCQFWVYQXDGJJ-MSOLQXFVSA-N 457.604 2.274 30 10 JEEE CCOc1ccc(O[C@H](C)c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@]2(O)CCN(C)C2)cc1 1710537288 BOKSFJXKZRYPEO-NLSFWIRASA-N 458.538 2.325 30 10 JEEE CO[C@H]1COCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CNC(C)=O)CC1 1712094381 DZDLYACPWXVQEV-YADHBBJMSA-N 452.559 2.221 30 10 JEEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1722307574 ZZKLICKLWYHJCK-UHFFFAOYSA-N 475.513 2.359 30 10 JEEE C#CCN(c1nnc(-c2cc3ccccc3o2)n1CC(C)(C)C(=O)NC)[C@H]1CCS(=O)(=O)C1 1722360262 SGJQDWSJEJQLOQ-KRWDZBQOSA-N 469.567 2.090 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1CC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1722364436 ZVIFYLUYUWOXQW-IBGZPJMESA-N 474.583 2.016 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CC1CCCCC1)[C@H]1CCS(=O)(=O)C1 1722365469 OILBCQAWEZQUGF-UGKGYDQZSA-N 450.605 2.137 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCC1CCOCC1 1722385099 ZSEKJMUUGAHPHN-HXUWFJFHSA-N 457.575 2.476 30 10 JEEE C#CCN(CC)c1nnc(-c2ccc3ccccc3n2)n1CCNS(=O)(=O)Cc1ccon1 1722408453 GZVLGORYZKSURK-UHFFFAOYSA-N 465.539 2.060 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2CC(=O)NC2CCCCC2)CC1 1722439294 WUVAJGFSZWPYDB-UHFFFAOYSA-N 450.587 2.082 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CC2CCN(C(=O)OC)CC2)CC1 1722449753 YNQMRXFJAGDYLV-UHFFFAOYSA-N 496.587 2.452 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C2CC2)nnc1N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 1722506482 MQVXVPSDIJUFGB-AQNXPRMDSA-N 467.636 2.014 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1722511096 YOFWWHHDHKDEEZ-CGXNFDGLSA-N 482.647 2.183 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1CC1(S(C)(=O)=O)CCC1 1722681499 LDDKFSVKOOOMLG-IBGZPJMESA-N 462.572 2.397 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(c2cc(F)ccc2F)CC1 1722700692 QRWGJQOKLKJFEF-UHFFFAOYSA-N 453.497 2.171 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1722729669 SXLUGHJQMLZVTD-UXHICEINSA-N 457.600 2.026 30 10 JEEE C=CCSCCn1c(N2CCC[C@@H](N3CCCS3(=O)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1722740791 YTRBGHOOVWVYSV-KNQAVFIVSA-N 499.703 2.242 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@H](c1ccccc1)N1CCCC1 1723933232 DMUPTAQTBXHNPA-LRXVAGHRSA-N 475.594 2.167 30 10 JEEE Cc1ccc(S(=O)(=O)NCCn2c(Cc3ccccc3F)nnc2N2CCO[C@@H](C#N)C2)s1 1724450440 HJWVSEKADGJSGF-KRWDZBQOSA-N 490.586 2.085 30 10 JEEE CCNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCSC2)CC1 1728676208 BDSSJKAMOIJKLS-GOSISDBHSA-N 455.588 2.333 30 10 JEEE CCOc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H](C)CN2CCN(CC)CC2)cc1OC 1728857302 COLOPRUGNIJDPE-UNMCSNQZSA-N 497.644 2.355 30 10 JEEE C#CCCCn1c(N2CCN(C(=O)c3ccccc3O)CC2)nnc1[C@@]1(OCC)CCOC1 1740596524 HPZWHRQYGLEKFF-XMMPIXPASA-N 453.543 2.012 30 10 JEEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 1740598350 NLAODJDEPFQTOU-YCSHWKNNSA-N 486.661 2.232 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCN(C)CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1740620583 QQTCWBITWBMKCS-KRWDZBQOSA-N 485.532 2.075 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@]1(C)COCCO1 1740638273 IQETZGRURHXWQX-RUZDIDTESA-N 460.538 2.114 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCO[C@@H]1C(C)C 1740682012 ZWHMFEYFNMZSAP-PZJWPPBQSA-N 450.547 2.068 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2cccnc2OCC(F)(F)F)CC1 1740691891 BUMZPEAMCQWIAZ-QFIPXVFZSA-N 494.518 2.070 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2CC2CN(C(=O)OC(C)(C)C)C2)CC1 1740700045 DFOFRJZEBMMAHY-UHFFFAOYSA-N 496.612 2.488 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2Cc2ccc(CS(C)(=O)=O)cc2)CC1 1740706240 QXFXTDGBUZBQOZ-UHFFFAOYSA-N 469.611 2.104 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2Cc2nnc(C)s2)CC1 1740707005 LIIQLIADURJDLK-UHFFFAOYSA-N 471.537 2.321 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccccc1)N1CCOCC1 1740932770 VNFPFPQVJIEZAC-FGZHOGPDSA-N 471.627 2.432 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H]2CCOC2)nnc1N1CCC(NC(=O)COC)CC1 1740968990 IRGKRMCOYAICPY-LJQANCHMSA-N 455.559 2.127 30 10 JEEE CCN(c1nnc(COc2ccc(C#N)cc2)n1Cc1cc(C)on1)[C@H]1CCS(=O)(=O)C1 1745996412 ABIGBANXEVAAQY-SFHVURJKSA-N 456.528 2.087 30 10 JEEE C#CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@]1(C)CN(C2CC2)C1=O 1748789113 VUICMFQNGJZFDU-XDHUDOTRSA-N 456.591 2.473 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Cl)n1CC1([S@@](C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1748810080 RVJABOQAPVIIPI-MHTXLSKPSA-N 467.016 2.136 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1csc([C@@H](C)OC)n1)[C@@H]1CCS(=O)(=O)C1 1748818542 CGDJICYBMQYFQT-VQIMIIECSA-N 486.623 2.103 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CCc1nnc(C)s1)[C@H]1CCS(=O)(=O)C1 1748824267 MQLKSZWSMRBQKX-SFHVURJKSA-N 486.623 2.195 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1748868167 SLGQWAFVHAFOGK-RTBURBONSA-N 473.574 2.302 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1csc2ccccc12 1748892499 PNONGWQGRBERDH-FQEVSTJZSA-N 483.619 2.337 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc(Cl)nc3)n2C[C@]2(C)COCCO2)n1 1748970766 RELYQOWHYBOMJS-HSZRJFAPSA-N 485.976 2.282 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCCc3ccccc3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1749015443 DPLSRFYNAPIRAB-QFIPXVFZSA-N 476.625 2.334 30 10 JEEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)CCc2ccc(OC)cc2)CC1 1749032765 OZDILUZCGWVFTL-UHFFFAOYSA-N 491.621 2.392 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1749135433 FCPRQTPOGFPSNW-VGSWGCGISA-N 493.605 2.495 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC(=O)N2CCOCC2)CC1 1749318009 YTXZBOGYDLTXFA-SFHVURJKSA-N 460.579 2.365 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCN2C(=O)OC[C@@H]2C1)C(C)C 1749557931 OKVKXQCSQBLCAE-VQTJNVASSA-N 454.579 2.018 30 10 JEEE C=CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CC(F)(F)CO1 1749592063 AXVVTCVRRYXSJN-INIZCTEOSA-N 456.515 2.412 30 10 JEEE C=CCNC(=O)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCCCCC1 1749677110 NLSZSWOSKGXXDN-UHFFFAOYSA-N 451.619 2.325 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2CCCN(C(C)C)C2)c1 1760128792 SNCQXIGWLIHOAP-IFMALSPDSA-N 477.613 2.406 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1ccc(NC(C)=O)cc1)[C@H]1CCS(=O)(=O)C1 1760190067 XWKCPLZUXBMDPO-LEWJYISDSA-N 471.583 2.153 30 10 JEEE C#CCN(c1nnc(Cn2ccc3ccccc32)n1C[C@@H](CC)OC)[C@H]1CCS(=O)(=O)C1 1760191993 OYRDBUCPWHAQRX-VQTJNVASSA-N 455.584 2.333 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc3ccccc3o2)n1CCS(=O)(=O)N1CCSCC1 1760197581 BGQZGCPVTLJMKC-UHFFFAOYSA-N 469.592 2.143 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc(OC(F)(F)F)cc1 1760209423 CJJAJZWGCGYLQT-INIZCTEOSA-N 483.516 2.493 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OCC(F)(F)F)cc1 1760209967 KYRBVUIWFMGVHH-INIZCTEOSA-N 483.516 2.341 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1SCCc2ccccc21 1760219469 FRJCFHAQRZOTRZ-FCHUYYIVSA-N 499.662 2.105 30 10 JEEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)NC1CCCCC1 1760235314 JLZJOELPIPGIQG-LJQANCHMSA-N 474.606 2.495 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@@]2(O)CCC[C@@H]2C)CC1 1760254665 FOIOOBUGWIFMNQ-BVZFJXPGSA-N 469.586 2.277 30 10 JEEE C#CCN1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@@H]2CCN(CC)C2)CC1 1760259891 QZZUWDZBVSYDGR-OAQYLSRUSA-N 485.677 2.490 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2Cc2ccc(OC)nc2OC)CC1 1760267145 HFHDCEKVMTWPEN-UHFFFAOYSA-N 490.564 2.380 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2CCN2CCN(C)C(C)(C)C2)CC1 1760271280 SHJFWLGJXSKGOK-UHFFFAOYSA-N 491.684 2.055 30 10 JEEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(CC(N)=O)CC1 1760273845 DUYZOPKQDAWMKT-UHFFFAOYSA-N 451.394 2.494 30 10 JEEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1760346419 YESCTDRYPUYSNA-RCCFBDPRSA-N 460.579 2.220 30 10 JEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccnc(N3CCCCC3)c2)CC1 1760381803 AQUACWNCZGKPMS-GOSISDBHSA-N 459.620 2.478 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(N(C)C)cc1)C1CC1 1760476639 AYBSIJPNOMVYEP-NRFANRHFSA-N 474.631 2.075 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCO[C@](C)(C(C)(C)C)C2)nnc1[C@@]1(OCC)CCOC1 1760558563 SICXCWGDUOIFKZ-FCHUYYIVSA-N 470.636 2.172 30 10 JEEE Cc1ccc(OCc2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@]2(O)CCS(=O)(=O)C2)cc1C 1761831847 AMDRGBGKGXRITP-DHIUTWEWSA-N 473.599 2.154 30 10 JEEE CCC[C@@](C)(O)Cn1c(Cc2cccnc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1765458420 DAMUOXQREPLPKV-HOYKHHGWSA-N 461.574 2.192 30 10 JEEE CN(C[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCOC2)C1)S(C)(=O)=O 1767224661 FKJJEDCNDIPQTG-PMACEKPBSA-N 472.615 2.351 30 10 JEEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(N(C)C)nc2)CC1 1771149550 FMGSGELFKVMJEX-UHFFFAOYSA-N 476.585 2.006 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 1772566955 RDZCAPMSZJWZHT-FQEVSTJZSA-N 458.607 2.297 30 10 JEEE COCCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1862568008 GKXOCVHMHMABQS-IBGZPJMESA-N 455.423 2.173 30 10 JEEE CCN1CCN(C(=O)[C@@H](CCSC)NC(=O)C2CCN([C@@H](C#N)c3cccs3)CC2)CC1 1868782299 GMPWHJWNWLEVDE-UXHICEINSA-N 477.700 2.427 30 10 JEEE N#C[C@@H](c1cccs1)N1CCC(C(=O)NCC(=O)N2CCN(Cc3ccccc3)CC2)CC1 1868782515 JRPMTTDLSBGGNP-QFIPXVFZSA-N 465.623 2.485 30 10 JEEE CCN(CC)CCNC(=O)c1ccc(-n2nnc(C#N)c2NC(=O)c2ccc(OC)c(OC)c2)cc1 1870137730 XKZSPPXVKIIVSW-UHFFFAOYSA-N 491.552 2.480 30 10 JEEE C=CCn1cc(OCC(=O)NCC)c(=O)cc1CNc1ccc(C(=O)NCCN(CC)CC)cc1 1870971638 PFCKGFDKRHTROU-UHFFFAOYSA-N 483.613 2.233 30 10 JEEE C=CCN([C@H](CCSC)C(=O)Nc1ccc(N2CCN(C)CC2)cc1)S(=O)(=O)C1CC1 1872274717 DUBDZNFLDGJIDK-OAQYLSRUSA-N 466.673 2.479 30 10 JEEE Cc1ccc(F)c(S(=O)(=O)N2CCC(OCC#CCN3CCN(C(C)C)CC3)CC2)c1 1889649965 VONBYLMOIJZPSH-UHFFFAOYSA-N 451.608 2.333 30 10 JEEE COc1ccc(CN=C(NC[C@H]2COCCO2)N2CCN([C@H](C)c3ccccn3)CC2)cc1 2087917987 LZWGGGZJSKLHIT-OFNKIYASSA-N 453.587 2.330 30 10 JEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H](CC(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)O1 2180965443 GIJUWMRYYJYZGW-GOEBONIOSA-N 462.356 2.129 30 10 JEEE C=C(CS(=O)(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1SC)B1OC(C)(C)C(C)(C)O1 2247961809 ILXVCZQRLOUNNO-GJZGRUSLSA-N 462.443 2.444 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](O)CN(C(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2255707068 RGDPINNYOQQAGY-ZIAGYGMSSA-N 452.382 2.147 30 10 JEEE CC(C)(C)OC(=O)N1CC([C@H](F)CNC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)C1 2255841296 ZUQCKKQWIQHSCG-CQSZACIVSA-N 455.361 2.377 30 10 JEEE CCc1nc(C(=O)N[C@H]2COC[C@H]2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2267164408 RFDKPJWUEXNGAH-QWHCGFSZSA-N 467.397 2.027 30 10 JEEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CN(C(=O)c2occc2B2OC(C)(C)C(C)(C)O2)CCO1 2267181939 ZNCOUZGKIVBPET-ZBFHGGJFSA-N 450.341 2.333 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)CC12CCC2 2268643463 IQIMAWOGFXZRPS-CYBMUJFWSA-N 464.397 2.377 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@](Oc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)(C(=O)O)C1 2269067598 SUDHFZFEUNRDPQ-NRFANRHFSA-N 452.288 2.363 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1COC[C@@H]1NC(=O)c1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2281784232 WAIWMCGCRJHOCS-KDOFPFPSSA-N 464.343 2.394 30 10 JEEE Cc1c(C(=O)N2C[C@@H](NC(=O)OC(C)(C)C)C3(CC3)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281807697 RMGAUBCCNNRDIP-OAHLLOKOSA-N 460.384 2.157 30 10 JEEE CC(C)(C)OC(=O)N1CC(F)(F)C[C@]1(C)CNC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2281930664 OEVJDRBWVWCNBV-HXUWFJFHSA-N 470.326 2.474 30 10 JEEE COC(=O)C1(NC(=O)c2sc(C)cc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2281940656 RVCRAURARDWBKA-UHFFFAOYSA-N 480.392 2.248 30 10 JEEE C[C@H]1CCCN(C(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)[C@H]1CNC(=O)OC(C)(C)C 2282034344 GXJWOJUFFFQGNR-RDJZCZTQSA-N 462.400 2.485 30 10 JEEE Cn1cc(C(=O)NC[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2(C)C)nc1B1OC(C)(C)C(C)(C)O1 2282037392 VCKMKRFVVVLSMO-ZBFHGGJFSA-N 462.400 2.389 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@](C)(CNC(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)C1 2282057454 HFWCGDREIOAPGY-QHCPKHFHSA-N 461.368 2.137 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)N[C@@H](C)C1(O)CN(C(=O)OC(C)(C)C)C1 2282143347 VWCZQZVKSOYOJW-INIZCTEOSA-N 460.380 2.394 30 10 JEEE CC(C)(C)OC(=O)NCC1(NC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)CCOCC1 2282187345 HYYXZAIXLSWCMX-UHFFFAOYSA-N 461.368 2.185 30 10 JEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1F 2282426219 ZOILHDIICJZHPR-DLBZAZTESA-N 464.343 2.489 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@H](NC(=O)c2ccc(F)c(B3OC(C)(C)C(C)(C)O3)c2)C1 2282479911 YYADRKSFDKCELV-QZTJIDSGSA-N 464.343 2.225 30 10 JEEE CC1(C)OB(c2sccc2CS(=O)(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)OC1(C)C 2282499775 SCTXVJFKJMYUSP-HXUWFJFHSA-N 492.472 2.368 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@]12CO[C@@H](C1)[C@H](NC(=O)OC(C)(C)C)C2 2282596255 DGFFYLRUXPQNJH-ALLJEULLSA-N 479.408 2.305 30 10 JEEE C[C@@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(O)cc2O)CCN1C(=O)OC(C)(C)C 2282967180 LBIRZTXVKKFGLP-CQSZACIVSA-N 462.352 2.478 30 10 JEEE Cn1ncc(CNC(=O)OC(C)(C)C)c1C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2283954266 CPHIEWQUUZINDH-UHFFFAOYSA-N 457.340 2.391 30 10 JEEE CN(Cc1csc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)[C@@H](CCC(N)=O)NC(=O)OC(C)(C)C 2284061864 ZXEDLGWZNBWHBE-OAHLLOKOSA-N 481.424 2.165 30 10 JEEE CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)C(=C(C)NCc3nnc4ccccn34)C(=O)[C@@]12C 2297591112 BLCKSYSJNSXDFF-VWLOTQADSA-N 474.473 2.401 30 10 JEEE CCOc1cc(C=Nn2c(CNC(C)=O)nnc2SCC(N)=O)ccc1OCc1ccccc1 2330743880 LBJDRPZFIXSGHR-UHFFFAOYSA-N 482.566 2.352 30 10 JEEE Cc1c(C(=O)NC[C@H]2[C@@H]3C[C@@H]3CN2C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2359268146 WPRSDFVBZYJWRJ-OAGGEKHMSA-N 460.384 2.013 30 10 JEEE COc1cccc(/C=N/Nc2nc(SCC(=O)Nc3ccc4c(c3)OCCO4)n[nH]2)c1O 59016824 BVNJCFLRHMTUEJ-UFFVCSGVSA-N 456.484 2.467 30 10 JEEE C=CCn1c(=O)c2ccc(C(=O)NC(C)C)cc2n2c(=O)n(CC(=O)Nc3ccc(Cl)cc3)nc12 64581531 RBJUIKAUCAOKOF-UHFFFAOYSA-N 494.939 2.427 30 10 JEEE COCCN=c1scc(-c2ccc(O)c(C(N)=O)c2)n1N=Cc1ccc(N2CCOCC2)cc1 254565613 CSEAQAAFNGPQEE-UHFFFAOYSA-N 481.578 2.287 30 10 JEEE O=C(OCN1C(=O)C(=NNC2=NS(=O)(=O)c3ccccc32)c2ccccc21)c1ccccc1 254838653 KELHRAPTQDISKD-UHFFFAOYSA-N 460.471 2.291 30 10 JEEE CC1CCN(S(=O)(=O)c2ccc(NC(=O)C(=O)NCc3ccc(C#N)cc3F)cc2)CC1 609257158 VYXWHJBKPHJWPD-UHFFFAOYSA-N 458.515 2.373 30 10 JEEE COc1ccc(NC(=O)CSc2n[nH]c(NN=Cc3c(C)nn(CCO)c3C)n2)cc1Cl 1083944104 FLAAJRQTPSVCOX-UHFFFAOYSA-N 478.966 2.449 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCS(=O)(=O)CC 1286299786 YXLPHTPQSLWKID-INIZCTEOSA-N 453.609 2.285 30 10 JEEE C#CCN(C)c1nnc(COc2ccccc2OC)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1286381385 LVDYKYDPFHWJCY-OALUTQOASA-N 473.599 2.139 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1CCc1cccnc1)[C@@H]1CCS(=O)(=O)C1 1286392858 CRCSOHCUOQCWTF-LJQANCHMSA-N 469.542 2.261 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1CCCNC(=O)C1CCC1 1286403159 HNINVFBADLSVJT-UHFFFAOYSA-N 457.376 2.425 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(-c3ccccc3)on2)n1CCN1CCN(C(C)=O)CC1 1286426279 QGFCADAJQHZRRH-UHFFFAOYSA-N 471.565 2.227 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@]2(C)OCCc3sccc32)CC1 1286471244 HZYFMWILWODFDJ-MBSDFSHPSA-N 459.616 2.307 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3)n2CC2(CS(C)(=O)=O)CC2)CC1 1286475215 SWIPANVVKCQLGE-UHFFFAOYSA-N 492.443 2.288 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@@H](C)N2CCC(C)CC2)CC1 1286489694 CNIOASHUQCUUAX-HXUWFJFHSA-N 451.619 2.370 30 10 JEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](CNC(=O)c2ccccc2)C1 1286494764 PABVGEBNPALKHC-IBGZPJMESA-N 468.627 2.429 30 10 JEEE C#CCSCCn1c(COc2ccc(F)cc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1286510289 OHBZKSXLTNUVHG-NRFANRHFSA-N 464.588 2.378 30 10 JEEE C#CCSCCn1c(N2CCC(C(=O)NCC(F)(F)F)CC2)nnc1[C@]1(OCC)CCOC1 1286513504 WLGIWYPDQQNVNV-FQEVSTJZSA-N 489.564 2.192 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccn2C)nnc1N1CCC(C(=O)NCCOC)CC1 1286561486 NTMCUBBOPZHIIW-TZIWHRDSSA-N 456.591 2.244 30 10 JEEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCSC2(CCCCC2)C1 1286608677 UKLAHDVDTFTABM-IBGZPJMESA-N 499.703 2.460 30 10 JEEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](F)[C@@H](c2ccccc2)C1 1286609279 ZNOSQLNVKAPDSK-NJDAHSKKSA-N 493.605 2.146 30 10 JEEE C=C(C)COCCn1c(Cn2ccc3ccccc32)nnc1N1CCO[C@@H](CNC(C)=O)C1 1286611357 IJTZMGRYIACNHG-NRFANRHFSA-N 452.559 2.215 30 10 JEEE C=CC1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2C[C@@](C)(O)CCOC)CC1 1286660916 UVOWXTDHGAQIPT-DEOSSOPVSA-N 452.559 2.382 30 10 JEEE C=CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1286687465 NYWJBUBSJJTGBF-QGZVFWFLSA-N 485.614 2.066 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](c2cccc(Cl)c2)C1 1286779782 XZEQQEXVEJIQFT-GOSISDBHSA-N 458.950 2.048 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](C)C[C@@H](C)C1 1286791536 VCSSOOVXTBGRSQ-KURKYZTESA-N 462.595 2.371 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2CN(CC(C)C)CCO2)C1 1286811178 AILKVMQHAKZONZ-YADHBBJMSA-N 457.623 2.278 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCN(Cc2cc(C)on2)CC1 1286821368 IVPWNKYAHUGSLC-UHFFFAOYSA-N 488.589 2.227 30 10 JEEE CC(=O)Nc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(CCC#N)CCC(C)C)cn1 1286894626 HMYODVRGFBALFL-LJQANCHMSA-N 473.603 2.348 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1CCCN1CCN(c2ccncc2)CC1 1300320264 FLNVYZBUBLJPHK-OAQYLSRUSA-N 461.618 2.205 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1cnn(CC(C)C)c1C)[C@H]1CCS(=O)(=O)C1 1300487668 KZAIEYPKXWWGDO-FQEVSTJZSA-N 467.599 2.176 30 10 JEEE C#CCN(c1nnc(C2CCCC2)n1CCNC(=O)c1cccs1)[C@H]1CCS(=O)(=O)C1 1300497485 ZAYONOJPGCCBMA-KRWDZBQOSA-N 461.613 2.054 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2cccc(C(=O)N[C@@H](C)CC)c2)CC1 1300710865 OHKVFYLVYWEUFF-OYDLWJJNSA-N 494.640 2.334 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@](C)(OC)C2CC2)CC1 1300715613 ATTGQJBHCBVXMW-RPBOFIJWSA-N 473.618 2.100 30 10 JEEE C=C(C)COCCn1c(-c2ccc(OC)cc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1300981196 UCDVPZFFVXMGGM-UHFFFAOYSA-N 463.604 2.407 30 10 JEEE C=C(Cl)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1301019086 FSEDIZCKTNRQNZ-CQSZACIVSA-N 456.952 2.347 30 10 JEEE C=CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1301468721 MXOCFIKKORAZGA-XXBNENTESA-N 463.586 2.294 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCCN(Cc2ccc(F)cc2)CC1 1301506698 OVLJNNDSMDYFIP-UHFFFAOYSA-N 463.561 2.418 30 10 JEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 1301613421 XYUDKNJFAGQMSA-LJQANCHMSA-N 481.688 2.471 30 10 JEEE CC(C)(C)C(=O)NCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1302013249 BWYBFXKIRBYFMM-UHFFFAOYSA-N 496.591 2.014 30 10 JEEE CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1314532522 BDBGPTRWKGZTRS-NRFANRHFSA-N 466.567 2.148 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCCO3)n2C[C@@]2(C)COCCO2)c1 1358902627 UQXUDYCZJWZATR-RDPSFJRHSA-N 453.543 2.381 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCCN2CCCC2)CC1 1359042672 PHFUCHWCBHAVLP-UHFFFAOYSA-N 480.613 2.414 30 10 JEEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1359060306 QXQAPKCBWBWZIB-UHFFFAOYSA-N 479.610 2.174 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(C)cc1N1CCOCC1 1359107115 CQDDXJMSXYCOSW-LJQANCHMSA-N 476.647 2.484 30 10 JEEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1359122015 SOFHGTPJLWAVSV-HOTGVXAUSA-N 457.597 2.032 30 10 JEEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](CN2CCOCC2)C1 1359122260 ICIGNZLUQPJVPQ-UXHICEINSA-N 476.622 2.321 30 10 JEEE C=CC[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC[C@@H]1C)c1ccccc1 1359195491 NKJVIHWRGYFEIB-TYPHKJRUSA-N 475.615 2.196 30 10 JEEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2ccc(C)cc2)CC1 1359208233 IFRBYXPWMNTGNU-GOSISDBHSA-N 460.604 2.125 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCCC[C@H](COC)C1 1359292584 SSAKNUIASBDEIW-SFHVURJKSA-N 474.993 2.417 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 1359330092 GNXSGIPMJIJUPZ-IBGZPJMESA-N 473.521 2.471 30 10 JEEE C=CCN(CC=C)[C@H](CNC(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)C(C)C 1464868667 GYTAWBWSQLPYCB-RBUKOAKNSA-N 457.637 2.225 30 10 JEEE CN(CCc1cnccn1)c1nnc(-c2cccc(C#N)c2)n1CC1CCS(=O)(=O)CC1 1503578705 AWNIFRKZXBEVKZ-UHFFFAOYSA-N 451.556 2.110 30 10 JEEE CS(=O)(=O)[C@H]1CCCCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCSCC2)C1 1505123658 HMHSVUWDDZKVSD-FQEVSTJZSA-N 474.656 2.269 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccsc3)n2CC2(C(N)=O)CCOCC2)c1 1507552047 JURGUDLFNROHAP-UHFFFAOYSA-N 492.605 2.269 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCOC2)n1CCN1CCN(Cc2ccccc2)CC1 1507669946 VRNROWMFEDDQSZ-RUZDIDTESA-N 460.626 2.453 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(OCCC)c(OC)c2)CC1 1507738742 XFLUWHCIUYNNQI-UHFFFAOYSA-N 491.596 2.490 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2C[C@@](C)(O)c2ccco2)CC1 1507740535 NMMSTGUWNRGHHU-AREMUKBSSA-N 477.565 2.366 30 10 JEEE C=C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2(S(C)(=O)=O)CCC2)CC1 1507878224 UOLDBGGXTMNVPU-UHFFFAOYSA-N 464.613 2.472 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1C[C@@H](C)[C@@H](F)C1 1508085942 ISQXNDXEWDYHQN-QAPCUYQASA-N 453.522 2.332 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCN(CC(C)C)C(=O)C1 1508093077 STKILEKCLGYXMX-UHFFFAOYSA-N 454.575 2.081 30 10 JEEE CC1(C)CCC[C@@]1(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1510302084 BTWAENPOUVCWEK-HSZRJFAPSA-N 472.615 2.230 30 10 JEEE CCCC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1514234841 CIKNRRIESFTJNU-OAQYLSRUSA-N 499.641 2.126 30 10 JEEE CCN(CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1)C(C)C 1515720936 ASWBGVUAASSOEV-UHFFFAOYSA-N 461.574 2.134 30 10 JEEE CN(Cc1ncc(Cl)n1C)c1nnc(-c2cccc(C#N)c2)n1CC1(S(C)(=O)=O)CC1 1517181394 BQEMIJLBPKWMNF-UHFFFAOYSA-N 459.963 2.417 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC2(CCC(F)(F)CC2)C1 1539124795 HVUIKAHOZQKVKI-QGZVFWFLSA-N 471.574 2.430 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCOC1CCCCCC1)[C@H]1CCS(=O)(=O)C1 1539215560 FKLNTRMTCNCSQW-IBGZPJMESA-N 460.604 2.045 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1CCNC(=O)[C@H](C)CCC)[C@H]1CCS(=O)(=O)C1 1539218856 FFLSRYSYZYLRFH-MSOLQXFVSA-N 451.637 2.046 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CC(C)(C)N1CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1539225622 PRVXFOBOWGCJTK-IRLDBZIGSA-N 484.670 2.401 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CCc1ccc(OC)c(OC)c1OC 1539284968 WQNQIEGHUOIEKS-UHFFFAOYSA-N 465.554 2.246 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@H]1CCCCS1(=O)=O 1539362047 NHHRFJCMMMDNME-SFHVURJKSA-N 482.610 2.492 30 10 JEEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C 1539421763 XSRXOMZNOPSYEJ-OALUTQOASA-N 474.606 2.132 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@H](OC)[C@@H](C)CC)CC1 1539451969 HHTBLNJAZZOOIP-PCCBWWKXSA-N 490.649 2.403 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2CC[C@H](C(F)F)N2CCOCC2)CC1 1539468601 GCPINYIZXNIMNL-PKOBYXMFSA-N 466.577 2.113 30 10 JEEE C#CCSCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1539497358 JNERSRDDDVIGMC-QHCPKHFHSA-N 487.582 2.368 30 10 JEEE C#CCSCCn1c(COc2ccc(C)cc2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1539526677 OVXGILINPLYHMR-UHFFFAOYSA-N 491.621 2.352 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2csc([C@@H](C)OC)n2)CC1 1539891092 XQEGBTLXETUGRZ-CRAIPNDOSA-N 496.659 2.226 30 10 JEEE C=CC1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1539891700 JPKLAXJZAFJZKF-OAQYLSRUSA-N 450.992 2.474 30 10 JEEE C=CCCOCCn1c(CC(C)(C)C)nnc1N1CCN(c2cc(N3CCOCC3)ncn2)CC1 1540037429 LCWUNAIIDAZCJN-UHFFFAOYSA-N 484.649 2.413 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](CC)C1 1540871642 QBZYOAPIZHECMS-RCCFBDPRSA-N 462.595 2.214 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1540874603 MCQZLVQAYQWUTE-UHFFFAOYSA-N 486.580 2.369 30 10 JEEE CC(C)NS(=O)(=O)CCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCO[C@H](C#N)C1 1543874028 BJGSHKCGOGRNOD-NVXWUHKLSA-N 478.644 2.188 30 10 JEEE CCn1nc(-c2nnc(N(CCC#N)CCOC)n2C[C@@H]2CCOC2)c2ccccc2c1=O 1547738022 GNJPRGGWAIYKRX-KRWDZBQOSA-N 451.531 2.078 30 10 JEEE CN(C)S(=O)(=O)N1CCC2(CC1)C[C@@H](C(=O)NC1CC1)N(c1ccc(C#N)c(C(F)(F)F)c1)C2 1548381854 LALLPDZWLXJRQO-IBGZPJMESA-N 499.559 2.323 30 10 JEEE C=CC1(CC(=O)N[C@@H](CC(C)C)C(=O)N2CC[C@H](N(C)C)C2)CN(C(=O)OC(C)(C)C)C1 1556828619 XDTJJJQYMWKMEA-OALUTQOASA-N 450.624 2.493 30 10 JEEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H](c2ccc(C)cc2)[C@@H](C)S(C)(=O)=O)c1 1561518962 KWDXRVCGFOZHGS-UZLBHIALSA-N 450.582 2.364 30 10 JEEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@@H](CC(C)C)C(=O)N3CC[C@@H](N(C)C)C3)n[nH]2)c1C 1569836195 PODFVHDJFZVRBO-NQIIRXRSSA-N 455.607 2.383 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2nc3c(s2)CC[C@@H](C(=O)OC)C3)ccc1F 1585472011 BCJDZTPQONCFFX-GFCCVEGCSA-N 453.517 2.277 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1Cc1ccc(OC)nc1)[C@H]1CCS(=O)(=O)C1 1588045388 JZDDYDZQGUCVDX-SFHVURJKSA-N 467.551 2.032 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCCOC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1588059870 WRKWDXOOCVBTTE-NRFANRHFSA-N 490.601 2.220 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CCN(C)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1588064137 BHQIRFGMFOLVSF-HSZRJFAPSA-N 478.622 2.023 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C)cc2)n1 1588696554 MEUBUAPDVUXRDC-UHFFFAOYSA-N 461.570 2.354 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(C)o3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)CC1 1588769858 ZUPCIOILEYQKCI-IBGZPJMESA-N 450.518 2.085 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CC(C)(C)SC)CC1 1588923526 CIVFZWQULAZKIQ-UHFFFAOYSA-N 493.637 2.299 30 10 JEEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1589089403 RSFQHRQMWQPMQG-NRFANRHFSA-N 496.681 2.377 30 10 JEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(Cc2csc(CC)n2)CC1 1589110637 XYTBUXJPORQXRC-UHFFFAOYSA-N 473.672 2.108 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N(C)CC(C)(C)CN1CCOCC1 1589556631 CXXTVJXMKUPZPE-REWPJTCUSA-N 474.650 2.176 30 10 JEEE C=CCN(CC=C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1595171491 VMUZIWGGFOKMJA-LJQANCHMSA-N 451.575 2.361 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CCC(S(C)(=O)=O)CC1 1595490502 UKZODKAYQGBEBC-UHFFFAOYSA-N 482.404 2.023 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1595765509 BLTBWCMXPHDBBA-HOCLYGCPSA-N 483.436 2.309 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(c2cnccn2)CC1 1595823979 URVCKNXLIBYAQK-UHFFFAOYSA-N 497.625 2.191 30 10 JEEE C=CCSCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCO[C@H](C(=O)NC)C1 1595871385 PIKLNFRZNPRDNC-IBGZPJMESA-N 454.556 2.471 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc(-c2cccc(Br)c2)n1CCNC(=O)c1cc[nH]n1 1596788829 DKKQYEYYYCYPJV-ZDUSSCGKSA-N 457.336 2.457 30 10 JEEE C=C(CCC(=O)OC)C(=O)N[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 1640095676 NJESQGLPVOBQDE-HNNXBMFYSA-N 459.362 2.228 30 10 JEEE C[C@H]1CN(CCN(C)c2nnc(-c3ccc(C#N)cc3)n2CCN2CCOC[C@@H]2C)C[C@@H](C)O1 1649562101 CPLXNWRUIOCRRE-PCCBWWKXSA-N 467.618 2.083 30 10 JEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](CC(C)C)NC(=O)OCC 1689959772 MKLNOZPRAONSDW-QGZVFWFLSA-N 475.619 2.468 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1cn(CCCC)nc1C)[C@@H]1CCS(=O)(=O)C1 1689998514 ODLLKOWPKVYUPT-WOJBJXKFSA-N 460.604 2.110 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@]2(O)CCSC2)CC1 1690152335 HXVBUDGKBFRYMQ-HSZRJFAPSA-N 490.029 2.344 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2C[C@H]2CCN(CC)C2)CC1 1690152401 JLZRPUCYUICDHK-IBGZPJMESA-N 468.577 2.304 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2occc2C)CC1 1690152437 LCJOZDKLABJGAK-UHFFFAOYSA-N 466.567 2.185 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@](C)(O)C2CC2)CC1 1690152547 PAVBQCQNSLUOQX-RUZDIDTESA-N 451.571 2.292 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H](C)N2CCC[C@H](C)C2)CC1 1690154067 JANHWBBNMSIQSY-MQFRRQCYSA-N 486.661 2.088 30 10 JEEE C=CCCCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1690466046 WFFXNIPKTDMQCR-UHFFFAOYSA-N 488.583 2.484 30 10 JEEE Cc1nn(C)c(N2CCN(c3nnc(C(C)C)n3C[C@@]3(N(C)C)CCSC3)CC2)c1C#N 1693405990 HAIIKFCYHDUENG-QFIPXVFZSA-N 457.652 2.079 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1C[C@]1(O)CCN(C)C1 1694328623 DRBNEWHSBKDFBY-SANMLTNESA-N 495.628 2.183 30 10 JEEE CCN1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1695847286 CWKRPGIXVBJZQG-HSZRJFAPSA-N 478.645 2.485 30 10 JEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC[S@](=O)C(C)(C)C 1705574732 LWVUKAOWKKCGOV-YTTGMZPUSA-N 474.656 2.167 30 10 JEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(C)(C)CN1CCCC1 1705580627 MZRJVSCXAMTUKL-UHFFFAOYSA-N 467.643 2.433 30 10 JEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cccnc1OCC(F)F 1705581062 VXHPMGXVRPLYJY-UHFFFAOYSA-N 499.547 2.398 30 10 JEEE C#CCN1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2C[C@](C)(O)CCC(C)C)CC1 1705639219 JBOGMQPTOWXKOV-AREMUKBSSA-N 480.661 2.395 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2cn(CCCC)nc2C)CC1 1705642546 XOYLUKRGGWUFTC-UHFFFAOYSA-N 480.642 2.378 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccccc2F)CC1 1705644805 CGLHQDGZPQSMRR-VWLOTQADSA-N 469.561 2.472 30 10 JEEE C#CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CCNC(=O)[C@@H]1CC 1705655905 QWMXKKXOXQRNOA-AWEZNQCLSA-N 451.394 2.127 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1705698933 AFCCRCRZIGQOQY-LMMKCTJWSA-N 460.579 2.268 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1705705474 IEUQNLLOUZWPDH-JTAQYXEDSA-N 488.658 2.353 30 10 JEEE C=CC[C@@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](OC)C1)c1ccccc1 1705797623 ZHRFTNPXDAORNV-ACRUOGEOSA-N 475.615 2.196 30 10 JEEE C=CCCOCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1705826786 JVPRLVHLTCYSDO-AWEZNQCLSA-N 451.325 2.269 30 10 JEEE C=CCN(c1nnc(-c2cc(Br)cn2C)n1CC1(O)CCS(=O)(=O)CC1)C1CC1 1705851903 SMXYSUTUUCWOQU-UHFFFAOYSA-N 484.420 2.141 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCN(CCN2[C@@H](C)CC[C@H]2C)CC1 1705899553 XBCCMJUUMFPNID-OYRHEFFESA-N 451.619 2.242 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1705906232 XLZGSKYEXVXXQZ-UHFFFAOYSA-N 456.616 2.462 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(N(C)C(C)=O)CC1 1705933656 OFYPRZWCKXXEDY-UHFFFAOYSA-N 466.995 2.041 30 10 JEEE CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1Cc1ccc(OC)cc1OC 1710731769 GBDALGKQTYSJLD-UHFFFAOYSA-N 463.542 2.473 30 10 JEEE CN(C)S(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N(CCC#N)CC1CC1 1711018726 GBGCCIUDFBCZGR-UHFFFAOYSA-N 470.397 2.057 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1CCN(C(=O)OC)CC1 1722294672 RSQGIZPFGLZREQ-MRXNPFEDSA-N 463.542 2.128 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2CCNC(=O)C(C)(C)C)c1 1722307670 TVPJXQCSTUXYMV-UHFFFAOYSA-N 473.581 2.482 30 10 JEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1csc(CC)n1 1722317297 SDUXMHGYUXJWOF-KRWDZBQOSA-N 466.633 2.070 30 10 JEEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccccc1CN1CCC[C@@H]1CO 1722343366 GVHZODYJTPCMOS-ZEQKJWHPSA-N 467.614 2.393 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@](C)(O)c1ccsc1)[C@@H]1CCS(=O)(=O)C1 1722358721 FCIAKROKJHWQON-UTKZUKDTSA-N 460.581 2.442 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1CC1(N(C)C)CCCCC1)[C@H]1CCS(=O)(=O)C1 1722360326 GHSZJXMEPZVKQF-IBGZPJMESA-N 458.632 2.175 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1C[C@H](OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1722363408 FQWVTAINFOFUNE-AEFFLSMTSA-N 496.431 2.098 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1ccc(C)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1722366614 JEXMMIAEKOMKFW-UXHICEINSA-N 458.584 2.164 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCN(C(=O)OC(C)(C)C)C1CC1)[C@@H]1CCS(=O)(=O)C1 1722369758 GDMMPBJBELLCAI-RTBURBONSA-N 493.630 2.156 30 10 JEEE C#CCN(CC#CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC(=O)NCC(F)F 1722400250 KVDODHCUKGKTMQ-UHFFFAOYSA-N 478.544 2.237 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC(=O)NCC2CC2)CC1 1722444860 PEUAAOQCXPQGDJ-QGZVFWFLSA-N 482.560 2.049 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2Cc2ccc(NC(=O)N(C)C)cc2)CC1 1722448907 CINNVBCNLDFUOC-UHFFFAOYSA-N 463.586 2.338 30 10 JEEE C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CCC 1722484331 HLDGFPCBBQURDD-ZIAGYGMSSA-N 450.403 2.144 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1722508789 UMTGDBRVCQGJLN-BNDYYXHWSA-N 471.606 2.027 30 10 JEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCOc2ccc(Cl)cn2)CC1 1722574600 NYXPALMZQCBNPW-CQSZACIVSA-N 454.984 2.418 30 10 JEEE C=CC[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cnccn2)CC1)c1ccccc1 1722594018 DQHRGRRWDWYENF-FPOVZHCZSA-N 496.641 2.365 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1722701733 BKMMPSJEQHPUNW-FPOVZHCZSA-N 455.559 2.160 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N(C)Cc1cnn(-c2ccccc2)n1 1722726470 AOHBQIRBIBJWAX-UHFFFAOYSA-N 478.582 2.466 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCC(C(=O)NCC(F)(F)F)CC2)nnc1C(C)(C)C 1722731668 PIVXAUWDFHAREQ-UHFFFAOYSA-N 465.542 2.071 30 10 JEEE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3ccc(C#N)cc3)n2CCN2CCOC(C)(C)C2)C1 1722754017 HIERMFSEESORJT-OAQYLSRUSA-N 465.602 2.232 30 10 JEEE C[C@@H]1CC(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(S(C)(=O)=O)CC2)C[C@@H](C)O1 1726476492 CFNXJXJUQGMLRE-IAGOWNOFSA-N 458.588 2.102 30 10 JEEE COc1ccccc1Cc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@@H](C)OC 1730297174 DDNAKNKYELAUTL-QGZVFWFLSA-N 464.574 2.153 30 10 JEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(n2c(O)nc3ccccc32)CC1 1740581184 RFROIJYQJNHIKR-MRXNPFEDSA-N 471.587 2.199 30 10 JEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@H]1c1nncn1C 1740583181 WHXLXWAVHZKHMC-IBGZPJMESA-N 468.587 2.079 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CCCc2cnn(C)c2)CC1 1740697911 PTHPDDWOCIQOOI-UHFFFAOYSA-N 479.585 2.092 30 10 JEEE C#CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1740713908 NLFNVJWCMIOSRJ-HKUYNNGSSA-N 485.610 2.408 30 10 JEEE C#CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1740716923 DXCLQUQDVXZYAA-RXVVDRJESA-N 455.584 2.462 30 10 JEEE C#CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1740719005 GBLQKLWUHUOOOQ-HXUWFJFHSA-N 457.575 2.202 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1nc2cc(OC)ccc2n1C 1740767744 ZCASAGHYHAKZQA-OAHLLOKOSA-N 461.592 2.234 30 10 JEEE C=C(C)COCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(C(=O)C(C)C)CC1 1740793020 OIVJLHCPBJOEGW-UHFFFAOYSA-N 479.585 2.089 30 10 JEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 1740888917 XEKXQRCKJVGRDP-KRWDZBQOSA-N 461.544 2.244 30 10 JEEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN(CC)[C@H](C)C1 1740960443 RONPYAQFZWUUPI-GOSISDBHSA-N 475.638 2.225 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCc2cccc(F)c2[C@@H]1C 1740985341 FUFNXFLHPGINIJ-INIZCTEOSA-N 461.563 2.378 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)CCC(=O)NC 1740987195 BUNRFLWFLYVWFG-HNNXBMFYSA-N 465.645 2.305 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@H]1C(C)C 1740988226 XTDZJTWVOQBJAL-FQEVSTJZSA-N 495.671 2.421 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H]1c1cnn(C)c1 1740994609 PZZTXBRISWWWHQ-GOSISDBHSA-N 461.617 2.310 30 10 JEEE C[C@H](C#N)CN(C)c1nnc(COc2ccc(Br)cc2)n1CCS(C)(=O)=O 1741134530 CGWNPRGPYDEAAB-CYBMUJFWSA-N 456.366 2.260 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1CCOC1CCCCCC1)[C@@H]1CCS(=O)(=O)C1 1748817696 OMQBKGWLPASHAX-RBUKOAKNSA-N 450.605 2.148 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@@H]1CCC[C@@H](O)C1)[C@H]1CCS(=O)(=O)C1 1748818480 BWPVHUVEQFCCHG-FGTMMUONSA-N 478.565 2.325 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCCc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1748820664 GSEZUUYERNFSJZ-JOCHJYFZSA-N 496.637 2.408 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@@]1(O)CCS(=O)(=O)C1 1748868593 AILQPJNNSKDDAG-DEOSSOPVSA-N 495.630 2.390 30 10 JEEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(C)(C)N1CCOCC1 1748925787 NPRDPUFMWXRUSE-UHFFFAOYSA-N 452.607 2.022 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(Br)c3)n2CCCN2CCC(O)CC2)CC1 1748977766 CFOHXVQPADDDIG-UHFFFAOYSA-N 487.446 2.310 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H](C)Oc2ccc(C)cc2)CC1 1748978549 MHDAKMKRFYUZDN-PXDATVDWSA-N 453.587 2.461 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(CC)cc3)n2CCCCN2CCC[C@@H]2CO)CC1 1748982755 CKHZEYVBQAIQJO-XMMPIXPASA-N 450.631 2.500 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cccc(OCC(N)=O)c1 1749056276 WRRIRGBKVWQSHZ-JWQCQUIFSA-N 467.570 2.223 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(OC)CCOC1 1749547062 KANMZJZMXXFNMG-XMSQKQJNSA-N 464.563 2.317 30 10 JEEE C=CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1749620708 MDMJEWOVBDUWTF-UHFFFAOYSA-N 482.585 2.089 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCN(CC(=O)N(C)C2CCCCC2)CC1 1749651512 WUPUDDCEUKANLT-LJQANCHMSA-N 459.639 2.007 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(N(C)C(=O)OCC)CC1 1749655022 ASMUVGBXPWFMNE-UHFFFAOYSA-N 471.518 2.213 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1749676412 PONUVHCOINQFRB-SFHVURJKSA-N 465.558 2.330 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 1749729098 AVCVPOSUDNSKCQ-UHFFFAOYSA-N 484.630 2.124 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CCC(NC(C)=O)CC1 1749729168 COJHQODYDLIGAT-UHFFFAOYSA-N 451.980 2.304 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(C)[C@@H]1CCCN(c2ccccc2)C1 1749730606 KFHCQHDLDIADCD-OAQYLSRUSA-N 469.615 2.385 30 10 JEEE CC[C@H](C)[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NC(=O)COC)CC1 1752548465 GALFBJCPNQSTEE-XDHUDOTRSA-N 454.575 2.345 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CCNc1nccc(C(F)(F)F)n1 1760098946 BBUCFJYBWNHAHW-LIRRHRJNSA-N 453.469 2.309 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2CC2(OCCOC)CCOCC2)CC1 1760268018 JXSYGTLGNDUSOA-UHFFFAOYSA-N 499.587 2.262 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2CCCCN2CCN(CC)CC2)CC1 1760270546 ZCUNCPRLHJWYKK-UHFFFAOYSA-N 469.678 2.319 30 10 JEEE C=C(Br)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](OCCOC)C1 1760301277 WLYJVBYVCBZZFL-OAHLLOKOSA-N 465.352 2.466 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCOC2(CCC2)C1 1760550976 PEPFPMQWNGMNJD-UHFFFAOYSA-N 462.572 2.322 30 10 JEEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1760559775 KSQFEVPFOAMMHM-IAGOWNOFSA-N 453.638 2.154 30 10 JEEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(C1)OCc1ccccc12 1760559863 LSZOFWXIOGNQEH-IIBYNOLFSA-N 463.629 2.443 30 10 JEEE C[C@@H]([C@@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1CC1(S(C)(=O)=O)CCC1)S(C)(=O)=O 1760700463 GIEVKOXNISGYAN-CVEARBPZSA-N 479.628 2.042 30 10 JEEE CCN(CC)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCN2CC)CC1 1764886739 HPLYAOFULHHCIE-QHCPKHFHSA-N 478.645 2.291 30 10 JEEE CCN(CC)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1765017015 HUQLIBIRQDFCSH-FQEVSTJZSA-N 476.589 2.081 30 10 JEEE COc1cc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2CCCNC=O)cc(OC)c1OC 1862567700 YMFKCFCEXKDQLU-FQEVSTJZSA-N 469.494 2.009 30 10 JEEE C=CCN(CC=C)C(=O)CNC(=O)c1ccc2c(c1)C(=O)N(c1ccc(OC)c(OC)c1)C2=O 1868581362 DEJLZCXTLVOMCJ-UHFFFAOYSA-N 463.490 2.435 30 10 JEEE C=CCn1cc(OCC(=O)N=c2nc3nc(C)cc(C)n3[nH]2)c(=O)cc1CN(CCC)CCC 1870429066 VACWZHSCYNLSHF-UHFFFAOYSA-N 467.574 2.150 30 10 JEEE C=CCn1cc(OCC(=O)NC(C)C)c(=O)cc1CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1870509767 KWBNSPIWHXUBMO-UHFFFAOYSA-N 469.542 2.168 30 10 JEEE C#CCOc1cn(Cc2ccc(S(N)(=O)=O)cc2)c(CNc2ccc3[nH]ncc3c2)cc1=O 1871008185 LAOACQPZAQYVHK-UHFFFAOYSA-N 463.519 2.044 30 10 JEEE C[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)C(=O)Nc1cccc(C#N)c1 1873866356 DFBZJCVJMTUNAN-DOTOQJQBSA-N 458.515 2.241 30 10 JEEE COc1ccc(-n2nnc3c(N4CCN(C(=O)c5ccc(C)c(C#N)c5)CC4)ncnc32)cc1 1891148355 WQQKTYODEXFBKZ-UHFFFAOYSA-N 454.494 2.362 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CC(=O)NCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2185163754 QIAQTXPANIREGG-MJGOQNOKSA-N 460.380 2.220 30 10 JEEE Cc1cc(S(=O)(=O)N[C@H]2C[C@@H]2NC(=O)OC(C)(C)C)sc1B1OC(C)(C)C(C)(C)O1 2247951507 JLSWNXIUGPAVFW-STQMWFEESA-N 458.411 2.300 30 10 JEEE C[C@H]1CC[C@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)N(C(=O)OC(C)(C)C)C1 2256623070 PGHNKKVGWWCBHZ-QWHCGFSZSA-N 452.386 2.233 30 10 JEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1nn(C)c(Cl)c1B1OC(C)(C)C(C)(C)O1 2267179478 QPEPKWNFZMHHPR-QWHCGFSZSA-N 468.791 2.358 30 10 JEEE CCON(CCNC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2267720663 LPTMNVVDRDVKHD-UHFFFAOYSA-N 470.397 2.453 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)O 2268638271 SABUKXQHSILTER-SUMWQHHRSA-N 450.341 2.207 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCCN(CC(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C1 2268650929 MDTGEBKXZYPDGI-AWEZNQCLSA-N 466.413 2.370 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCC[C@H]2[C@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2268715835 LKZVWQNMTJGPSK-AAVRWANBSA-N 464.397 2.137 30 10 JEEE Cc1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@@H](O)CNC(=O)OC(C)(C)C 2270443751 DGMMLPTUURQOCY-CQSZACIVSA-N 452.332 2.049 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)CC[C@H]1C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2279289604 HJXFUUOGWIJBRJ-OALUTQOASA-N 460.380 2.362 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2CCO[C@@]3(CCCN(C(=O)C(F)(F)F)C3)C2)C1 2281235257 JQDNASXHBGELAW-VZDHWGDASA-N 473.492 2.075 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@@]2(CNC(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)C1 2281804711 OSNOYBZEVPTPLO-HJPURHCSSA-N 462.352 2.335 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H]2[C@H]1C(C)(C)[C@@H]2NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2281923074 BDBYNDRTNIJTKN-BMFZPTHFSA-N 460.384 2.473 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1C[C@@H](F)CN(C(=O)OC(C)(C)C)C1 2281964608 ACCSJFUGKDEHFC-CABCVRRESA-N 466.363 2.280 30 10 JEEE Cc1c(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C23CC3)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281978359 BTCKDYNQQAGLDW-OAHLLOKOSA-N 460.384 2.300 30 10 JEEE CC(C)(C)OC(=O)N1CCN(CCCNC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)CC1 2281998284 MXJXBQSDKYRDQH-UHFFFAOYSA-N 480.440 2.115 30 10 JEEE C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)CCN1C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282044991 XJRKHJKXGWKLND-HZPDHXFCSA-N 462.400 2.485 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2CC3(CC3)CN2C(=O)OC(C)(C)C)n1 2282051772 WKLPUWHBQZHTQF-HNNXBMFYSA-N 460.384 2.239 30 10 JEEE CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2282055710 IKOQZOMYVPXVFK-AWEZNQCLSA-N 468.310 2.150 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H](O)C[C@H]2CNC(=O)OC(C)(C)C)c1 2282091155 DVCXNFVCVNNNHS-IRXDYDNUSA-N 460.380 2.394 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)C[C@]12CCOC2 2282151785 WCBNESTZNFOWIR-PEBXRYMYSA-N 479.408 2.341 30 10 JEEE COc1ccc(S(=O)(=O)N[C@H]2CC[C@H]2NC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2282505011 XKTKJEWOTACWMP-SJORKVTESA-N 482.408 2.328 30 10 JEEE Cc1c(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC2(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282553996 XAIKKTJCBGOGAJ-HNNXBMFYSA-N 462.400 2.403 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](C2(NC(=O)c3ncc(B4OC(C)(C)C(C)(C)O4)cn3)CC2)C1 2282629293 UCDLLJBDTCUADR-HNNXBMFYSA-N 458.368 2.295 30 10 JEEE CC(C)(C)OC(=O)NCc1nnc(NS(=O)(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)o1 2282864076 YULOJFLXPSHIKL-UHFFFAOYSA-N 480.352 2.194 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CCN(C(=O)c3nccnc3B3OC(C)(C)C(C)(C)O3)C[C@@H]2C1 2283067059 ARYXKJJRYANADT-JKSUJKDBSA-N 458.368 2.105 30 10 JEEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)C(=O)[C@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C 2283949348 XZYCITBAYCVANZ-RTBURBONSA-N 460.380 2.315 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCOC[C@@H]1CC(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2283975957 WROXKIPCLWNXBS-GOEBONIOSA-N 481.424 2.378 30 10 JEEE C[C@@H](c1nscc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)[C@@H](CN(C)C)NC(=O)OC(C)(C)C 2283979473 NMJXUWUYHRCFEE-GOEBONIOSA-N 482.456 2.417 30 10 JEEE CC(C)(C)OC(=O)N1[C@H](C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C[C@@H]2OCC[C@H]21 2284060232 LHZAUPJIHPIUSJ-ILXRZTDVSA-N 479.408 2.225 30 10 JEEE CC1(C)OB(c2csc(S(=O)(=O)N[C@@]3(C(=O)O)CCN(Cc4ccccc4)C3)c2)OC1(C)C 2284400914 CLUGBAGTYCXIQY-QFIPXVFZSA-N 492.428 2.055 30 10 JEEE CC(C)(C)OC(=O)NC1CC(O)(C(=O)NCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2285184736 RDFFWWNDXYQIBM-UHFFFAOYSA-N 464.343 2.159 30 10 JEEE COc1ccc(C(O)=C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccnc2)cc1F 2296616270 UNQWXHJYUQAHKQ-OAQYLSRUSA-N 455.486 2.373 30 10 JEEE O=C(C=Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 2325489812 TWBAHXSMZRGVJF-UHFFFAOYSA-N 453.436 2.407 30 10 JEEE COC(=O)c1ccc(CSc2nnc(CNC(C)=O)n2N=Cc2ccc(OC)c(O)c2)o1 2330752606 BAHMMRXNVNOKNZ-UHFFFAOYSA-N 459.484 2.183 30 10 JEEE COc1cc(C=Nn2c(CNC(C)=O)nnc2SCC(=O)N[C@@H](C)c2ccccc2)ccc1O 2330791450 ZYKKVONTYGLMCW-HNNXBMFYSA-N 482.566 2.480 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)n1C 2362486070 NIZVDULTKHDMTB-HOTGVXAUSA-N 460.384 2.109 30 10 JEEE CC(C)(C)OC(=O)N1CC([C@@H]2C(=O)NCCN2C(=O)[C@H]2C[C@H](B3OC(C)(C)C(C)(C)O3)C2)C1 2379828207 GHZKYJVXZZYHHI-DJIMGWMZSA-N 463.384 2.053 30 10 JEEE COc1ccc([C@@H]2/C(=C(/O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN(C)C)cc1OC 102705843 ITKKXQAIFCMAEZ-RKKARLDVSA-N 468.506 2.458 30 10 JEEE CCOC(=O)NC(=O)CSc1nnc(N/N=C/c2cc(Br)ccc2OC)[nH]1 253578914 YXYRUODIYOAULT-REZTVBANSA-N 457.310 2.387 30 10 JEEE CC[C@]1(C)NC(=O)N(N=Cc2cc(C)n(-c3cccc(S(=O)(=O)N4CCOCC4)c3)c2C)C1=O 254756948 PDTIJAJUQJRGOK-QHCPKHFHSA-N 487.582 2.169 30 10 JEEE C=CCn1c(=C(C#N)S(=O)(=O)c2ccc(C)cc2)sc(=Cc2cc(OC)ccc2OC)c1=O 254900717 CEFXZINGHKNNOT-UHFFFAOYSA-N 482.583 2.356 30 10 JEEE N#Cc1cc(S(=O)(=O)N2CCN(c3cnn(-c4ccccc4)c(=O)c3Cl)CC2)ccc1F 488826149 SJQRKIWALKNUMB-UHFFFAOYSA-N 473.917 2.408 30 10 JEEE CC(C)[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)c1nc(C2CC2)no1 514333454 NTWWPBSNFWNDAX-SFHVURJKSA-N 458.544 2.232 30 10 JEEE C=CCNC(=O)CN1CCN(C(=O)c2cccnc2N2CCN(Cc3cccc(Cl)c3)CC2)CC1 519211360 BMAIVNVMSCCUIP-UHFFFAOYSA-N 497.043 2.117 30 10 JEEE C#CCN(C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@@H](C)C2)c1)[C@H]1CCS(=O)(=O)C1 729331037 MDRAPQUWAPILOJ-WBVHZDCISA-N 473.016 2.023 30 10 JEEE C=CCn1c(S)nnc1-c1sc(NC(=O)c2cc(C)ccc2S(N)(=O)=O)nc1C 1136666648 WVVBEAMFITVACN-UHFFFAOYSA-N 450.571 2.393 30 10 JEEE C=CC1(CC(=O)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CN(C(=O)OC(C)(C)C)C1 1138118781 LWHLPCMQJMFFJJ-UHFFFAOYSA-N 453.517 2.298 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cc(C(=O)OC)cc(OC)c2OC)s1 1148513895 BUGOSPFOSAXOCQ-UHFFFAOYSA-N 454.526 2.197 30 10 JEEE C=CCc1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H]3CS(=O)(=O)C[C@H]32)cc(OC)c1OC 1158004152 JPEUCYWJGQELGJ-MSOLQXFVSA-N 480.583 2.291 30 10 JEEE CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1 1201249281 BKGXDBQCNLDKIH-DNVCBOLYSA-N 451.483 2.320 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc(C)o3)n2C[C@@H]2CC(=O)N(CCOC)C2)c1 1286308885 MNFQMEFACZYYIO-HXUWFJFHSA-N 490.564 2.398 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[C@H]2C[C@H](F)C2)c1 1286310614 ZZWCNIPDHBTNLG-KBAYOESNSA-N 476.578 2.083 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2C[C@@H]2NC(=O)CC2(C)C)c1 1286311469 MQNBMZHEOBUQBY-NRFANRHFSA-N 471.565 2.235 30 10 JEEE C#CCN(c1nnc(C(C)C)n1Cc1cc(OC)c(OCC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1286383136 CUDKNQLAAUSXDR-SFHVURJKSA-N 476.599 2.492 30 10 JEEE C=C(Br)Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1286541936 GHIWUYGYSIHWBE-APWZRJJASA-N 451.369 2.433 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1286556052 AZCULHMMQVOGKJ-DXIQSLLYSA-N 474.631 2.011 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC[C@H](NC(C)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1286562299 JZTQBLSYYZVATL-MDAIXWLXSA-N 461.607 2.405 30 10 JEEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)Cc2cccc(OC)c2)CC1 1286611178 FZFXEZOAKVNOHH-NRFANRHFSA-N 469.586 2.275 30 10 JEEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1286686022 AEDICUOJTOHPTE-IBGZPJMESA-N 472.615 2.405 30 10 JEEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(c2ccc(F)cn2)CC1 1286791306 QLNNDTIUYVOMTO-UHFFFAOYSA-N 471.487 2.310 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2CC2(O)CCS(=O)(=O)CC2)C1 1286804722 NSGCBISYJJFHFN-GOSISDBHSA-N 466.991 2.320 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](c2cccc(F)c2)C1 1286825351 PXGTXZBPKUATCZ-TYPHKJRUSA-N 494.589 2.320 30 10 JEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 1286833264 YIFXIKLJUWKBJY-QGZVFWFLSA-N 492.627 2.334 30 10 JEEE CC(C)C(=O)NCCn1c(COc2ccc(F)cc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1287137531 ABELLRFJLHHNTI-UHFFFAOYSA-N 492.559 2.362 30 10 JEEE C=CCOc1ccc(CC(=O)NCC[C@@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)cc1 1288731374 WMNQXILFEWBUMG-LJQANCHMSA-N 452.573 2.334 30 10 JEEE CCC(O)(CC)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1292282460 BFOCIWQNXXJXSZ-IBGZPJMESA-N 456.595 2.311 30 10 JEEE CC[C@@H]1CCCCN1CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](C#N)C1 1293362552 DZBUCWJOVMYFHI-WOJBJXKFSA-N 472.615 2.342 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1nc(C(C)(C)C)cs1)[C@H]1CCS(=O)(=O)C1 1300495021 BNLHHBROGTZZJX-CVEARBPZSA-N 463.629 2.211 30 10 JEEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1CN(CC(C)C)CCO1 1300578230 JQNKYVHXBAPNDV-XMMPIXPASA-N 490.656 2.272 30 10 JEEE C#CCN1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@H](C)N(C)C)CC1 1300700827 XJTFONHKXXAGHT-IBGZPJMESA-N 459.639 2.098 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCOCC(F)(F)C(F)F)CC1 1300725847 KTLPZKGJMRKVKZ-INIZCTEOSA-N 475.487 2.055 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)COC)CC1 1300875765 QJWNTXUZGAULSZ-NFBKMPQASA-N 496.612 2.423 30 10 JEEE C=C(Cl)Cn1c(-c2cccc3cccnc23)nnc1N1CCN(CC(=O)NCCOC)CC1 1301030136 GAZFXULCLQYQGQ-UHFFFAOYSA-N 469.977 2.130 30 10 JEEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)Cc1ccccc1OC 1301043628 AAIBFRGXONEDTG-VQIMIIECSA-N 484.022 2.440 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCNS(=O)(=O)CC 1301294042 KXBQUKZYULWAMC-QGZVFWFLSA-N 470.640 2.344 30 10 JEEE C=CCn1c(Cc2ccccc2F)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1301458059 AIQAJPFWUBXRHV-UHFFFAOYSA-N 454.550 2.134 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC2(C(N)=O)CCOCC2)C1 1301545314 FHXCTZAWMVVVAR-SFHVURJKSA-N 471.558 2.026 30 10 JEEE C[C@H](CC#N)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCN1CCN(C)C(C)(C)C1 1303638663 BSBWKJMUSJTCGS-HXUWFJFHSA-N 480.665 2.216 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CC1(C)CC1 1303858820 GSELLFIKKRMWPT-HNNXBMFYSA-N 461.567 2.026 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCCC(C)(C)C 1303861002 CXRXRLHTUVMXHG-IRXDYDNUSA-N 489.650 2.091 30 10 JEEE C[C@@H]1C[C@@H](C)CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1304922505 ASQHZKLGEFXAAQ-GGPKGHCWSA-N 472.615 2.493 30 10 JEEE C[C@H]1C[C@@H](CCn2c(-c3ccc(C#N)cc3)nnc2N2CCN(S(C)(=O)=O)CC2)CCO1 1304930129 HVYPXMRIDYZEAE-ROUUACIJSA-N 458.588 2.104 30 10 JEEE COC(=O)c1cc(NC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c(OC)c(OC)c1 1310371224 GYHXVOJXFFDBNG-KRWDZBQOSA-N 452.467 2.285 30 10 JEEE CS(=O)(=O)c1cccc(-c2nnc(N3CCC(CC#N)CC3)n2CCCn2ccnn2)c1 1316335022 FHDFRPQMIHYQNQ-UHFFFAOYSA-N 454.560 2.160 30 10 JEEE C#Cc1ccccc1CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 1351937291 TXFRZQIFXWIZPE-UHFFFAOYSA-N 453.564 2.470 30 10 JEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2cc3nccc(C(F)(F)F)n3n2)c1 1356457786 JHNKBDZALOZDLY-UHFFFAOYSA-N 457.412 2.235 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1CCN(CCC)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1358963507 JLDQLHYQSNMIEM-OALUTQOASA-N 495.646 2.056 30 10 JEEE C#CCN(c1nnc(CCOc2ccccc2)n1Cc1nccn1C(F)F)[C@@H]1CCS(=O)(=O)C1 1358966089 HSTIUYLJVJANJG-QGZVFWFLSA-N 490.536 2.166 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CC(=C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1358967710 QMGBBTAMOZINDC-FKBYEOEOSA-N 470.595 2.342 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1ccnc(SC)c1 1358976639 LXOQSURHRBEQFZ-UHFFFAOYSA-N 455.547 2.430 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1Cc1nnc2n1CCC2 1358987491 ITYIAGGDRRMELP-UHFFFAOYSA-N 461.526 2.020 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(=O)N[C@@H](C)CC 1358994152 GHJCKKPRAQFHAE-VQTJNVASSA-N 486.617 2.354 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccccn2)n1CCN1CCN(C(C)=O)CC1 1359015790 FGZSZFXVGUQBOQ-UHFFFAOYSA-N 461.545 2.283 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@H](C)CN2CCN(CC)CC2)CC1 1359038582 BDSYTIVKWHPDDL-DEOSSOPVSA-N 479.673 2.194 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](CC)Oc2cccc(F)c2)CC1 1359046802 GKNMOZVEZFYKOP-OAQYLSRUSA-N 496.587 2.363 30 10 JEEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1359059014 XWOLMUFFZUHSMF-UHFFFAOYSA-N 453.616 2.358 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2sccc2C1 1359091835 SSHFQZGOHGGQJV-LESCRADOSA-N 451.618 2.494 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2ccccc2F)C1 1359133152 MJIORWWLUAZCID-PXNSSMCTSA-N 464.563 2.490 30 10 JEEE C=CCCOCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCN(C(C)=O)CC1 1359227817 MZJUSOOGRUVVSI-FQEVSTJZSA-N 492.621 2.238 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Br)cc3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1359314773 HPHLIBBSFNHITA-SJORKVTESA-N 489.374 2.477 30 10 JEEE CCC[C@H](C)NC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N(C)C)C1 1500077143 AVIYJDLJWNWISD-PXNSSMCTSA-N 451.575 2.426 30 10 JEEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@](C)(O)c2ccco2)C[C@H](C)O1 1504733320 BXOGPGMVJNWOCJ-REIDKSKDSA-N 467.526 2.470 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CCc1ccc(F)cc1C)[C@@H]1CCS(=O)(=O)C1 1507628590 XRVBJUCOQTUIPG-QPPBQGQZSA-N 490.601 2.247 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1cccc(C(OC)OC)c1)[C@@H]1CCS(=O)(=O)C1 1507630853 IWCBAYGNJJEFOL-LJQANCHMSA-N 469.567 2.240 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(-n2ccnc2C)c(F)c1 1507690140 QERHBJZQBRFJNO-GOSISDBHSA-N 456.547 2.321 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc2c(c1)OCO2 1507711183 PQGQQVTXCUHXKG-IBGZPJMESA-N 499.568 2.450 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3CC)n2CCN2CCSCC2)CC1 1507733133 XXPYRWXVFSMJNM-UHFFFAOYSA-N 454.644 2.224 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CC(C)(C)N2C[C@@H](C)C[C@@H](C)C2)CC1 1507738650 UABFODIJTBANCX-BGYRXZFFSA-N 478.645 2.457 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2csc(N3CCOCC3)n2)n1CCCCCS(C)(=O)=O 1507764761 DGFYVSPRKFDIEA-JOCHJYFZSA-N 492.671 2.445 30 10 JEEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2ccc(F)cc2F)C1 1507837200 KIPWCIXQBZQXPZ-BEFAXECRSA-N 485.557 2.337 30 10 JEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1508085509 VCTGTUUFHTZSQA-INIZCTEOSA-N 459.601 2.279 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCCN(CC(F)(F)F)CC1 1508143084 WTPQLJUZHIFHMX-MRXNPFEDSA-N 465.542 2.195 30 10 JEEE CC(=O)N1CCC[C@H](Cn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N(C)C[C@@H](C)C#N)C1 1508209348 BQPJRGDTMVLIAS-HKUYNNGSSA-N 487.630 2.050 30 10 JEEE CC(C)CC[C@](C)(O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](C#N)C1 1509251571 BMNDDGINXOQMON-GCJKJVERSA-N 461.588 2.265 30 10 JEEE CC(C)NC(=O)c1nnc(N(C)[C@H](C)CC#N)n1Cc1cccc(CN2CCO[C@H](C)C2)c1 1509576652 CCIQPFOGMKFUCY-RTBURBONSA-N 453.591 2.424 30 10 JEEE C[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)N2CCSCC2)C1 1512183183 CGTNQAOMKDFRIX-KRWDZBQOSA-N 460.629 2.432 30 10 JEEE C=CCCO[C@@H](C)C(=O)N1CCN(CCS(=O)(=O)c2ccc(Br)cc2)CC1 1521963080 YVKSQHOCLFUQOL-INIZCTEOSA-N 459.406 2.348 30 10 JEEE C#CCN(c1nnc(-c2cc3ccccc3o2)n1CCNC(=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1539211328 HSCFDDICCFGUJR-GOSISDBHSA-N 483.594 2.480 30 10 JEEE C#CCN(c1nnc(CCCc2ccccc2)n1C[C@H]1CC=CCO1)[C@@H]1CCS(=O)(=O)C1 1539231706 XAZRPNQQLYHCSG-FGZHOGPDSA-N 454.596 2.425 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1ccnc(OC(F)F)c1 1539307500 TYZWRCRDAXKKJZ-UHFFFAOYSA-N 475.463 2.428 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2CC[S@](=O)C(C)(C)C)CC1 1539434283 GZGBNYSJFLFCSL-LJAQVGFWSA-N 481.464 2.349 30 10 JEEE C=C(Cl)Cn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1539801415 AEGVJAQWFFPYLY-MOPGFXCFSA-N 451.015 2.448 30 10 JEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@](C)(c2ccccc2)C1 1540004703 DTPHNIMHQPPDHG-NZQKXSOJSA-N 475.615 2.329 30 10 JEEE C=CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1540071435 GEFMMQGPRKCTLB-KRWDZBQOSA-N 482.651 2.296 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](n2cncn2)C1 1540879959 SPWFXGZGVGHEFI-IBGZPJMESA-N 450.547 2.462 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2c[nH]c3ccccc23)nnc1N1CCCN(CCC)C(=O)C1 1540901646 LCKDMCIOGMKMBO-UHFFFAOYSA-N 470.599 2.476 30 10 JEEE CC(=O)N1CCC[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N(CCO)CCOCC(F)(F)F)C1 1540956139 RMZRFLSKGSUVAW-IBGZPJMESA-N 494.518 2.453 30 10 JEEE CNC(=O)N1C[C@H](C(=O)NCCOC)C2(CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)C1 1548376062 ITWZTAWUNIVJKE-GOSISDBHSA-N 467.492 2.197 30 10 JEEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCCC2(C)C)CC1=O 1555584208 CNPBKQQPLINTFO-XMMPIXPASA-N 452.559 2.053 30 10 JEEE C#CCN(c1nnc(-c2ccccc2F)n1CCCOCC(F)F)[C@H]1CCS(=O)(=O)C1 1588045442 KUJHSPAIAMUJTL-HNNXBMFYSA-N 456.490 2.383 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1nnc(CC)s1)[C@H]1CCS(=O)(=O)C1 1588074456 MXJUNVPTEPZUBS-FRQCXROJSA-N 492.671 2.286 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CCc2n[nH]c(C)n2)CC1 1588779751 BJJJMBXOTGEPQB-UHFFFAOYSA-N 464.574 2.165 30 10 JEEE C#CCN1CCN(c2nnc(CCN3CCN(c4ccccc4)CC3)n2C[C@@](C)(O)[C@@H](C)CC)CC1 1588858093 XRDNWRYCGOAXPK-RBJSKKJNSA-N 493.700 2.195 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCc2ccc(C)cc2)CC1 1588884944 PBLOJLYWBLPSHD-UHFFFAOYSA-N 471.565 2.442 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2cccc(NC(C)=O)c2)CC1 1588930563 ZBWXSKQGRCGSRJ-QFIPXVFZSA-N 464.570 2.492 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC2(O)CCS(=O)(=O)CC2)CC1 1594134333 PAWJDAQGFYFFGP-SFHVURJKSA-N 495.646 2.446 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccn(C)n1 1595076133 UWYIENCLRYDXEA-LJQANCHMSA-N 470.599 2.358 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H]1c1nncn1C 1595476187 IUNSQGYTTILSKB-YJBOKZPZSA-N 454.510 2.329 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 1595517048 NNAFQYOSVLEZGL-UNMCSNQZSA-N 479.629 2.064 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CCC[C@H](CNC(C)=O)C1 1595517491 ZHMVQYWCSCHTHU-MRXNPFEDSA-N 475.391 2.362 30 10 JEEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N(C)C1CCC(NC(C)=O)CC1 1595577449 SFFOYPXMLZRKBE-UHFFFAOYSA-N 454.575 2.351 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCS(=O)(=O)c2ccccc2)C1 1595745649 UXUGGPNFIVGDSJ-FQEVSTJZSA-N 470.599 2.395 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 1595784871 LWTMCVMCGHDOCN-SJLPKXTDSA-N 476.603 2.290 30 10 JEEE CCNc1ccc(C#N)cc1NC(=O)CNC(=O)c1cccc(S(=O)(=O)N(CC)CC)c1 1622946923 DIYYRJODLYSGSP-UHFFFAOYSA-N 457.556 2.389 30 10 JEEE C#CCn1ccc(CN(CCOC)C(=O)c2cc3n(n2)CCC[C@@H]3NC(=O)OC(C)(C)C)n1 1634600908 DRJSSHDCMATYCE-SFHVURJKSA-N 456.547 2.361 30 10 JEEE N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCCC[C@@H]2CNC(=O)Nc2ccccc2)c1 1650867125 CHXCBEODXIWUCP-LJQANCHMSA-N 455.540 2.039 30 10 JEEE CC(=O)N1CCN(CCOc2ccc(CCNc3ccc([N+](=O)[O-])c(N)c3C#N)cc2)CC1 1651480543 KKFYFQMVLCGGET-UHFFFAOYSA-N 452.515 2.246 30 10 JEEE CN(C)C(=O)COc1cccc(CNS(=O)(=O)c2cc(Br)ccc2C#N)c1 1659609624 HQGVJASLRYYOMV-UHFFFAOYSA-N 452.330 2.266 30 10 JEEE C#CCN(C(=O)NCCCN(C1CC1)S(=O)(=O)c1cccc(F)c1)C1CCN(C)CC1 1679687261 LLJHKIULWLQXGA-UHFFFAOYSA-N 450.580 2.108 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(COCC(F)(F)F)cc1 1689826869 VYXUYORCOUSLTM-HUUCEWRRSA-N 473.521 2.473 30 10 JEEE C#CCCCn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1689938794 WMMFEGZCJUCICE-LJQANCHMSA-N 462.558 2.419 30 10 JEEE C#CCCCn1c(N2CCN(C(=O)CN3CCCC3)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1689941168 KYDYGSQVSSXIOX-OYRHEFFESA-N 499.660 2.207 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H](CC(C)C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1689983583 DEGOYKPOKKERAC-UXHICEINSA-N 487.626 2.277 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccccc1CN(CC)CC)[C@H]1CCS(=O)(=O)C1 1689991316 ZQTAWZGEVHUNLS-PKTZIBPZSA-N 485.654 2.299 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCOC[C@H]1C 1690043089 OOPYTJYDZOLFMF-MOPGFXCFSA-N 454.600 2.374 30 10 JEEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@H](c1ccc(C)o1)N1CCOCC1 1690061119 RFEHYSUXWDCXDV-YKSBVNFPSA-N 457.575 2.365 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2CN(C(=O)OC(C)(C)C)C2)CC1 1690115325 BADSFINPDUKDOL-UHFFFAOYSA-N 461.570 2.439 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CC2CCN(CC(F)(F)F)CC2)CC1 1690146858 ZIEMSVMXMAQWSV-IBGZPJMESA-N 482.551 2.022 30 10 JEEE C#CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H]1CCOC1 1690174682 ICBCACZJUVTXLS-DLBZAZTESA-N 451.593 2.178 30 10 JEEE C=CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1690490077 ONDIPURYGJPQMN-NRFANRHFSA-N 454.623 2.239 30 10 JEEE C=CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1690496667 VCYTUWTWNQMWJR-RTBURBONSA-N 460.623 2.336 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCO[C@@H]1c1ccccc1 1690527159 KGQOLVACXDHPFS-QHAWAJNXSA-N 475.615 2.401 30 10 JEEE C=CCN(c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(O)CCO[C@@H]1C)C1CC1 1690545019 HXCPWSGJPHSHBB-QSAZIKIQSA-N 463.579 2.281 30 10 JEEE C=CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1CCN1CCOC[C@H]1C 1690611567 QKTGQJFQKLHBIN-MRXNPFEDSA-N 467.412 2.406 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1690663867 HAWPHUYUKASRDY-OAHLLOKOSA-N 461.929 2.080 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCC(C(=O)NCc2ccc(F)cc2)CC1 1690668165 VYWDSHYLHALUTB-UHFFFAOYSA-N 465.533 2.247 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3ccccc3n2)nnc1N1CCN(CC(C)C)C(=O)C1 1690720198 ATEOSTRCIKNFPQ-UHFFFAOYSA-N 482.610 2.399 30 10 JEEE C[C@]1(C#N)CCCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2(O)CCOCC2)C1 1692842591 CYIWWLBOZXRLOU-OAQYLSRUSA-N 459.572 2.020 30 10 JEEE Cc1noc(C)c1CCn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1693524203 FOLFOWSIRHKKLK-UHFFFAOYSA-N 476.585 2.458 30 10 JEEE CCOC[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCS(=O)(=O)C2)C1 1696385317 IFKLFRNXEOWOFX-VQTJNVASSA-N 473.599 2.416 30 10 JEEE CS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(CCCN2CCOCC2)CC1 1698306453 GQSQORCTTKLUFK-UHFFFAOYSA-N 486.642 2.190 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1Cc1nnc(C)s1)[C@H]1CCS(=O)(=O)C1 1705568439 NOZROJNDVBSWAQ-KRWDZBQOSA-N 472.596 2.000 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCc1ccc(F)cc1C)[C@H]1CCS(=O)(=O)C1 1705568962 XLTGILCIDSRMSC-QFIPXVFZSA-N 484.601 2.457 30 10 JEEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1705590251 GMLMPLPIWIVPLY-AMGIVPHBSA-N 492.624 2.450 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCCN2C[C@@H](C)C[C@@H](C)C2)CC1 1705632328 MKZWFUBKPCTXHM-OYRHEFFESA-N 457.667 2.320 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(OCC)cc3)n2C[C@]2(C)CN(C)C2=O)CC1 1705633213 LXGUPVPNOGTUGF-CLOONOSVSA-N 466.586 2.050 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCC(=O)NC(C)(C)C)CC1 1705646385 DSMQYXZPXGJXFS-UHFFFAOYSA-N 496.612 2.233 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCc2cccc(C(=O)N(C)C)c2)CC1 1705649365 UTRQMJJNHYLRDI-UHFFFAOYSA-N 473.581 2.184 30 10 JEEE C#CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1705656849 LGQJDRSWGJKVRI-NRFANRHFSA-N 468.627 2.063 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(OC)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1705710221 VZAMIZFEIDONPY-ZNLUXHQJSA-N 476.599 2.470 30 10 JEEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(C)n(C)c1=O 1705844024 UKTYWTUANLUYBE-GOSISDBHSA-N 458.563 2.264 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@H](CNC(C)=O)C1 1705906799 PEJBVTLDEWXZCX-HXUWFJFHSA-N 454.575 2.129 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CC)Cc1ccccc1C 1705936091 JTTUMUBTDVCDKM-IBGZPJMESA-N 466.629 2.116 30 10 JEEE COC1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@](C)(C#N)C2)CCCCC1 1711627787 HEBASPUJFPMNGH-GHTZIAJQSA-N 480.635 2.090 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@@](C)(O)c2ccsc2)c1 1722305512 IEGPDGDYWKMZGW-XMMPIXPASA-N 480.594 2.442 30 10 JEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C(F)(F)F)C1 1722317678 VXESLLYTUYWRME-HOTGVXAUSA-N 463.526 2.193 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CC1(C)CCOCC1)[C@H]1CCS(=O)(=O)C1 1722364535 LJOOYIZQOXJQBP-INIZCTEOSA-N 496.431 2.479 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCOc1ncccc1F)[C@@H]1CCS(=O)(=O)C1 1722365223 LXWGYSIWJKDRSY-LJQANCHMSA-N 487.532 2.248 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CCc1ccccc1OC)[C@@H]1CCS(=O)(=O)C1 1722368036 YKBQQCOTROREFM-OAQYLSRUSA-N 465.579 2.142 30 10 JEEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CCCCNC(=O)OC(C)(C)C)CC1 1722439767 OXHNBHPHEMUANH-UHFFFAOYSA-N 453.591 2.324 30 10 JEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2cccc(C(=O)N[C@@H](C)CC)c2)CC1 1722440243 GSLHTLYZYFMCON-FQEVSTJZSA-N 488.640 2.472 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2nc(C)cc(OCC)n2)CC1 1722493123 FYGLJWPGLBWFHL-PZJWPPBQSA-N 498.632 2.221 30 10 JEEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1csc(C)n1 1722536987 JXCMNLHDXIZQGR-MOPGFXCFSA-N 496.659 2.310 30 10 JEEE C=CCCOCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H]1CCOC1 1722629835 OPYJMTJYTRVQNO-MSOLQXFVSA-N 451.568 2.404 30 10 JEEE C=CCOc1ccc(Cn2c([C@H](C)CC)nnc2N2CCN(C(=O)CN3CCOCC3)CC2)cc1 1722702142 FMUAOTZZHZWSDS-OAQYLSRUSA-N 482.629 2.386 30 10 JEEE C=CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1722738213 CTVAVNNOKFMIQC-QAPCUYQASA-N 450.586 2.333 30 10 JEEE CNC(=O)CCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCCN1C1CC1 1729712499 CRXBAENMGBEPQG-HXUWFJFHSA-N 451.575 2.318 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCC(C)CC2)nc1 1740533599 SCQNNSOWAMXTGQ-MSOLQXFVSA-N 459.620 2.026 30 10 JEEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC(N2CCCNC2=O)CC1 1740577525 HHMKVEQMNPKQPK-UHFFFAOYSA-N 469.615 2.457 30 10 JEEE C#CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1740578712 DZDCMWVKBYUWCK-UHFFFAOYSA-N 472.615 2.326 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1CCC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1740618403 HAAXDYLVDCHBQT-HXUWFJFHSA-N 488.610 2.406 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CCCCC1(F)F)[C@@H]1CCS(=O)(=O)C1 1740618712 KBHLXTUBPNPZPP-OPYAIIAOSA-N 486.585 2.382 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCNC(=O)c1ccco1 1740639256 UPJRSTSKBOKNTI-UHFFFAOYSA-N 483.532 2.332 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H]1NC(=O)CC1(C)C 1740653672 UCRQPRSRBPLNKD-HXUWFJFHSA-N 471.565 2.053 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1CCN(CCC(C)C)CC1 1740655595 DGMULDYPEXPFIG-JOCHJYFZSA-N 459.660 2.401 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1740682369 SKHBGPLPAYRPCG-OAQYLSRUSA-N 471.569 2.403 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1nnc2n1CCC2 1740686876 YNASRMDWIYRNJF-SFHVURJKSA-N 484.605 2.065 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccnc2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1740758591 ZMNWVBNCYINYAH-NWSQWKLXSA-N 467.618 2.358 30 10 JEEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1740794140 QOFJQHAAKQPHDU-QHCPKHFHSA-N 453.635 2.461 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CC[C@H](C(=O)N(C)c2ccccc2)C1 1740989729 WEZULEOFHPEYDB-IBGZPJMESA-N 482.610 2.374 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@H](C(=O)OC)C1 1740994812 UCWREYIHTGTKJX-SFHVURJKSA-N 462.572 2.074 30 10 JEEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1CC1(N(C)C)CCC1 1741887350 BPVYSYCTWOQBCN-KRWDZBQOSA-N 460.604 2.082 30 10 JEEE C#CCCCCn1c(COc2ccc(C)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1748724260 QBEFIKYKUPJLQG-FQEVSTJZSA-N 450.543 2.442 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccc(OCC(F)(F)F)cc1)[C@H]1CCS(=O)(=O)C1 1748817750 PSWFZAICQWDFHP-ROUUACIJSA-N 498.527 2.398 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCc1sc(C)nc1C)[C@@H]1CCS(=O)(=O)C1 1748818017 UOIQDCHBDFCLNZ-QZTJIDSGSA-N 463.629 2.115 30 10 JEEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1Cc1cnn(C)c1C)[C@@H]1CCS(=O)(=O)C1 1748820713 HYWMCPNHJRBGQF-OAQYLSRUSA-N 482.610 2.191 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC[C@H]1CCCCO1 1749159758 XXUFJUNXUXGQTL-RTBURBONSA-N 455.625 2.363 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2csc(CC)n2)CC1 1749226445 QBMQDFROUVSYAA-SFHVURJKSA-N 459.620 2.163 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](c2ccc(F)cc2)N(C)C)CC1 1749304091 UNLNUWWAFQSONH-SFTDATJTSA-N 492.621 2.209 30 10 JEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H]1COc2ccccc2O1 1749402319 LVEGYDHIARMQKR-NQIIRXRSSA-N 491.614 2.244 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1C 1749689832 KWSLARFGOVLJMX-YLJYHZDGSA-N 461.588 2.213 30 10 JEEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1C1CCC1 1749756131 SUCOEAMPEQRTIQ-QZTJIDSGSA-N 455.650 2.299 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H](CC)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1760186777 ARFCLAYJKZDTRB-DLBZAZTESA-N 476.603 2.203 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCNC(=O)C(C)C 1760200459 JPIMZXCTCVQVDQ-UHFFFAOYSA-N 459.554 2.081 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(OC)ccc2Br)n1CCC[C@@H]1NC(=O)NC1=O 1760212979 LFGKUWHLFRMLNK-SFHVURJKSA-N 499.369 2.167 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2C[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 1760262654 VBLBOHIBKASAAB-NRFANRHFSA-N 465.602 2.419 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCO[C@@H]2CCCC[C@H]2C)CC1 1760268637 NJNKQROFWJCWNF-WIYYLYMNSA-N 453.591 2.240 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2ccc(Cl)cc2)CC1 1760270603 ZYJIEPNBAJFRCI-IBGZPJMESA-N 490.029 2.042 30 10 JEEE C#CCSCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1760278163 ZYBAQIDUEVEWRA-ZWKOTPCHSA-N 455.584 2.434 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC(=O)NCCC 1760297008 DDDZHQVRIUWQAJ-AREMUKBSSA-N 463.630 2.161 30 10 JEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1CCCC[C@H]1C)C1CC1 1760476787 GNWMDQHQCQIOAD-UYAOXDASSA-N 466.652 2.030 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)NC(C)C)n1CC1CCS(=O)(=O)CC1 1760478502 KBEBYFDVGGYBER-UHFFFAOYSA-N 470.599 2.305 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@]1(O)CCOC1 1760505717 GHLGBSBGNACIFO-JTSKRJEESA-N 451.568 2.140 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1760515151 LJIIRRPDXBAILA-HNNXBMFYSA-N 492.422 2.027 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCSCC1 1760524009 NBDCUHWEAYQAPZ-MRXNPFEDSA-N 450.609 2.248 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CC[C@H](C(=O)OC)C1 1760554040 PJAJSQIRNJNMBK-KRWDZBQOSA-N 471.539 2.200 30 10 JEEE Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)CC#N)n2C[C@@]2(N3CCOCC3)CCSC2)n1 1762408055 GVHZOQAGESIMOE-AVRDEDQJSA-N 458.636 2.086 30 10 JEEE CN(CCOC(C)(C)C)c1nnc(COc2ccc(C#N)cc2)n1CC1(C(N)=O)CCOCC1 1767402772 DIAZCUZBOQIMGJ-UHFFFAOYSA-N 470.574 2.262 30 10 JEEE N#C[C@H]1CN(c2nnc(-c3cc(F)ccc3Br)n2Cc2ccc(C(N)=O)nc2)CCO1 1771536007 GHJHJORJRQHUML-AWEZNQCLSA-N 486.305 2.118 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc3cccnc23)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1772660393 RJEHUPKJWDJTJC-IAGOWNOFSA-N 491.639 2.352 30 10 JEEE CC(=O)N(CCN)C(=O)[C@H](Cc1ccc(F)cc1)NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1 1868782522 JUWMVFXXFKORKI-VXKWHMMOSA-N 499.612 2.225 30 10 JEEE CCn1cc(OCC(=O)Nc2sc3c(c2C#N)CCC3)c(=O)cc1CSc1nnnn1C 1870223630 DFOYAMQHRODZCN-UHFFFAOYSA-N 471.568 2.123 30 10 JEEE COc1ccc2c(/C=N/n3c(S)nnc(Cc4ccccc4[N+](=O)[O-])c3=O)c(C(=O)O)[nH]c2c1 1873495243 POCLYRQNSWXYQK-LSHDLFTRSA-N 480.462 2.496 30 10 JEEE COc1ccc(Br)cc1/C=N/Nc1cnn([C@@H]2CCS(=O)(=O)C2)c(=O)c1Cl 1873528964 LCCXYEDNGVEQRX-WOVPGWDMSA-N 475.752 2.473 30 10 JEEE COCCN1CC(=O)C(c2nc(C)cs2)=C1NC(=O)CNC(=O)c1ccc(C(C)(C)C)cc1 1873710706 QPVBQIYJHDVWII-UHFFFAOYSA-N 470.595 2.495 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H](O)CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1Cl 2255543945 QTVFYARWOPSMMX-AWEZNQCLSA-N 454.760 2.255 30 10 JEEE CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2255706924 PPFXBGJKXLNDIX-KBPBESRZSA-N 452.382 2.411 30 10 JEEE CC(C)(C)OC(=O)N1CCCCN1S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2255752452 JJTVEGJKHSQFDF-UHFFFAOYSA-N 453.370 2.317 30 10 JEEE Cc1cc(C(=O)NC[C@](C)(CO)NC(=O)OC(C)(C)C)sc1B1OC(C)(C)C(C)(C)O1 2255876201 KIXJVWAOFASJON-OAQYLSRUSA-N 454.398 2.361 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](O)CN1C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2255886271 FQPJZPVHRMYZPM-UONOGXRCSA-N 452.382 2.147 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]1CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2255951114 ZLHGJUGNOBHIJS-PBHICJAKSA-N 452.382 2.177 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](CNC(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)CO1 2267558938 JCQXFWNEFQWLBD-LSDHHAIUSA-N 450.341 2.238 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H](CO)NC(=O)c1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1Cl 2267801622 HNPWPENESNTYIV-LBPRGKRZSA-N 472.750 2.394 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)Nc1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)n1 2268629913 CXVUTDUXOHUTBB-OCCSQVGLSA-N 467.759 2.343 30 10 JEEE Cc1csc(CN(C)C(=O)[C@@H](CO)CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2268718632 YMAHYJCLQKHUAZ-OAHLLOKOSA-N 468.425 2.447 30 10 JEEE C=CCCC1(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)CN(C(=O)OC(C)(C)C)C1 2268725652 YMHQUQVDOGMNIS-UHFFFAOYSA-N 464.397 2.401 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1)[C@H](O)C(F)(F)F 2280057701 QVWVROOYKDKNJC-KGLIPLIRSA-N 475.273 2.136 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@@]2(CNC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2282016102 TUCWSNNLNYGMCQ-FPTDNZKUSA-N 479.408 2.198 30 10 JEEE Cn1cc(C(=O)N2C[C@H]3CC[C@@]3(CNC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2282043243 MGIRXTAAJATLLV-IQMFZBJNSA-N 460.384 2.096 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C 2282050729 CYUKHLJXCGVDIG-GDBMZVCRSA-N 462.400 2.389 30 10 JEEE Cn1nc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)CC2(C)C)cc1B1OC(C)(C)C(C)(C)O1 2282067790 UGWHLYPOCBTTJD-INIZCTEOSA-N 462.400 2.485 30 10 JEEE Cc1cc(S(=O)(=O)N2CC[C@@](C)(NC(=O)C(F)(F)F)C2)ccc1B1OC(C)(C)C(C)(C)O1 2282315330 MKIMOXDAJFRWTF-LJQANCHMSA-N 476.326 2.126 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@]2(C[C@H](NC(=O)c3nscc3B3OC(C)(C)C(C)(C)O3)CO2)C1 2282528959 ZGKZKMGGEBHTQE-RCDICMHDSA-N 479.408 2.341 30 10 JEEE Cc1c(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H]3CC[C@H]32)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282555517 URXDHFJINCJUGR-HZPDHXFCSA-N 460.384 2.252 30 10 JEEE CCc1nn(C)c(C(=O)N(C)C[C@H]2CCN2C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2282561805 MMSLLMHHPUJVCN-OAHLLOKOSA-N 462.400 2.363 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H]3C[C@H]3[C@H]2CNC(=O)OC(C)(C)C)n1 2282599516 POFGXBNFZSXFTC-ZMSDIMECSA-N 460.384 2.187 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2CCO[C@]2(CNC(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)C1 2282622607 IPGWJSVZPZETKM-IQMFZBJNSA-N 462.352 2.335 30 10 JEEE C[C@H]1CN(C(=O)OC(C)(C)C)[C@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)CO1 2283952064 DPZQZUSPDLBOBH-BBRMVZONSA-N 465.331 2.483 30 10 JEEE COC1(C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)CCN(C(=O)OC(C)(C)C)CC1 2283954597 GTKIPDSFQXEFTM-UHFFFAOYSA-N 481.424 2.475 30 10 JEEE CCN1C(=O)[C@]2(C(=C(O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCCOC)c2ccccc21 2296147213 MVQZQRVXTDJHAS-AREMUKBSSA-N 478.501 2.437 30 10 JEEE Cn1ncc(C(=O)N2CC(F)(F)C[C@@H]2CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2296425373 SVCXAISMNDAFKW-CYBMUJFWSA-N 470.326 2.094 30 10 JEEE COc1ccc([C@@H]2C(=C(O)c3c(C)nn(C)c3C)C(=O)C(=O)N2CCCN(C)C)cc1OC 2296618208 JQWMQYXDQDLNJN-OAQYLSRUSA-N 456.543 2.428 30 10 JEEE C[C@H](C#CC(=O)N1CCC(C2(O)CN(C(=O)OC(C)(C)C)C2)CC1)NC(=O)OC(C)(C)C 2318686806 ZTRPPNMLMAELMY-MRXNPFEDSA-N 451.564 2.123 30 10 JEEE CC(C)(C)OC(=O)NC1(C(=O)O)CC(Oc2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)C1 2345669053 DUHCFKXOLVZDBB-UHFFFAOYSA-N 452.288 2.409 30 10 JEEE CN(C)[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1Oc1cc(B2OC(C)(C)C(C)(C)O2)c(F)cn1 2345742698 ZYFCVEZSNFMSNR-DLBZAZTESA-N 451.348 2.448 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C2)n1C 2362331358 HBHQQMNIXIBEIW-HUUCEWRRSA-N 462.400 2.498 30 10 JEEE C[C@H](NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C)C1CCN(C(=O)OC(C)(C)C)CC1 2362355072 XYXQGRPGSKJZPQ-HNNXBMFYSA-N 462.400 2.485 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@]2(C[C@@H](NC(=O)c3cnsc3B3OC(C)(C)C(C)(C)O3)CO2)C1 2362576832 OCQJDJWIRJSYKY-JLCFBVMHSA-N 479.408 2.341 30 10 JEEE CC(C)(C)OC(=O)N1CCN(c2ncc(Cl)cc2B2OC(C)(C)C(C)(C)O2)[C@@H](CC(N)=O)C1 2369303517 NAAWJADYENDXHS-HNNXBMFYSA-N 480.802 2.335 30 10 JEEE Cc1nn(C)c(C(=O)N(C)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2F)c1B1OC(C)(C)C(C)(C)O1 2369668828 GCTAFKAGORUTDS-HUUCEWRRSA-N 466.363 2.057 30 10 JEEE COc1ccc(-c2nnc3ccc(OCCNC(=O)COc4ccccc4C#N)nn23)cc1OC 13706993 FTRLEBFRPNPRAO-UHFFFAOYSA-N 474.477 2.254 30 10 JEEE COc1ccc(C(=O)CSc2nnc(N/N=C/c3cc([N+](=O)[O-])ccc3O)n2N)cc1OC 20527384 DCKPPBJEAFBUGA-ZVBGSRNCSA-N 473.471 2.044 30 10 JEEE CCNS(=O)(=O)c1ccc(NC(=O)CSc2nc(N/N=C/c3cccc(OC)c3)n[nH]2)cc1 21039988 NOAXRCWOOXESKX-CIAFOILYSA-N 489.583 2.288 30 10 JEEE CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccccc3C)c(=O)n2-c2ccc(F)cc2)CC1 603786273 HTPLAEGBSHRDKH-UHFFFAOYSA-N 476.577 2.014 30 10 JEEE C=CCC1(NCC(=O)N2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)CCCC1 1196149589 FHSRPTPILNHFLF-UHFFFAOYSA-N 451.589 2.015 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1286383065 CQIJAMAXYCXNBO-AEFFLSMTSA-N 494.017 2.223 30 10 JEEE C#CCN(c1nnc(-c2cccc3cccnc23)n1CCC(=O)NCCC)[C@H]1CCS(=O)(=O)C1 1286388824 VTGDJNCSGATSOZ-IBGZPJMESA-N 480.594 2.036 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccccc2Br)n1CC1(C(N)=O)CCOCC1 1286405328 ACTQJBVZPNLNKA-UHFFFAOYSA-N 456.344 2.063 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2ccccc2OC)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1286410652 GIKSWRMHXJLTNN-VXKWHMMOSA-N 475.572 2.296 30 10 JEEE C#CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1286499635 NKSCSAVQYAWQAW-HUUCEWRRSA-N 450.586 2.298 30 10 JEEE C=C(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1286584368 AUUWNAWNUZLDTJ-SFHVURJKSA-N 457.966 2.478 30 10 JEEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 1286601313 KFWYMNJMAIOVTJ-DLBZAZTESA-N 450.584 2.358 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1286672853 QVUJBYYREYOJKQ-IPMKNSEASA-N 481.663 2.150 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)cc1F)C1CC1 1286738134 QUXSUTUFCFYXST-SFHVURJKSA-N 453.515 2.092 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c(C2CC2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O)C(C)C 1286751461 PXOTVUDAJKZQIR-IBGZPJMESA-N 455.607 2.375 30 10 JEEE C=CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@H]1CCCN1C(=O)OC(C)(C)C 1286769262 PAMLUSAQMYJAIE-GOSISDBHSA-N 462.595 2.439 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1286783369 POGWNZQDEOQQMC-UHFFFAOYSA-N 499.012 2.290 30 10 JEEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@@H](C(C)(C)C)C1 1286786922 LYCRFIWWJIOYRP-MRXNPFEDSA-N 459.620 2.413 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCN(C)C(=O)[C@H]1C 1286816299 FEUDIDPWIWDHMQ-QGZVFWFLSA-N 468.583 2.069 30 10 JEEE CC(C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1287100216 FOQCCSIFVLQCSA-OAHLLOKOSA-N 466.464 2.004 30 10 JEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(N2CCN(C(=O)C3CC3)CC2)nc1 1292612629 UYZSAGOSFRIYDO-IBGZPJMESA-N 455.559 2.385 30 10 JEEE CCOc1cccc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3c(C#N)c(C)nn3C)CC2)c1 1296822960 BSEMJSNHDDBNHZ-UHFFFAOYSA-N 491.600 2.104 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ccccc1C(C)C 1300311607 UMRPYKNLOJBWIG-NQIIRXRSSA-N 475.615 2.271 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2CCN2CCN(C)C(C)(C)C2)c1 1300334845 WCZIYUNTTSTVII-QFIPXVFZSA-N 493.656 2.254 30 10 JEEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)CCc2ccc(OC)cc2)CC1 1300357862 ZTCZEYKLVHRGBF-QFIPXVFZSA-N 478.597 2.323 30 10 JEEE C#CCCCn1c(COc2ccc(Br)cc2)nnc1N1CCN(CCOC)C(=O)C1 1300422094 FABXZKDRRNUSPO-UHFFFAOYSA-N 476.375 2.328 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CCc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1300498156 HTXAINZYTOZCFL-OAQYLSRUSA-N 453.543 2.272 30 10 JEEE COc1ccccc1OCc1nnc(N(C)[C@@H](C)CC#N)n1C[C@H]1CCCN1S(C)(=O)=O 1300624700 ALCMYAVUPZGPHH-DLBZAZTESA-N 462.576 2.028 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(OC)c(Br)c2)n1Cc1ccc(C(N)=O)nc1 1300655188 RGSLSSJGNVPHDW-UHFFFAOYSA-N 499.369 2.344 30 10 JEEE C=C(C)COCCn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1300974869 OJKXJHSGFRZUSK-HOCLYGCPSA-N 463.380 2.354 30 10 JEEE C=C(C)COCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC(C(=O)NC)CC1 1300992083 TVQUOTAXTTZKKX-UHFFFAOYSA-N 479.585 2.230 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCc2nn(C)c(=O)cc2C1)C(C)C 1301367946 WGPKYWJCHAIRJO-QFIPXVFZSA-N 477.617 2.034 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCS(=O)(=O)NC(C)C)C1 1301568643 VNRXHEAMUYLJMA-IPMKNSEASA-N 469.652 2.306 30 10 JEEE C[C@]1(C#N)CCCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H]2COCCO2)C1 1303934355 CXVRGAHVAPJKDX-XMSQKQJNSA-N 458.950 2.407 30 10 JEEE Cc1ccc(NC(=O)c2nnc(N3CCO[C@H](C#N)C3)n2CCS(=O)(=O)C(C)(C)C)cc1C 1304381591 BIOHRBKERHMCDV-GOSISDBHSA-N 474.587 2.089 30 10 JEEE C#CCN1CCN(C(=O)CN[C@H](C(=O)N2CCC(Cc3ccccc3)CC2)[C@@H](C)CC)CC1 1307632426 JBVLZPCCHYKREZ-NVQXNPDNSA-N 452.643 2.249 30 10 JEEE COc1ccc(CCc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H]2CCCN2CCCO)cc1 1315449473 HDNXHUZEYAXAPZ-RDPSFJRHSA-N 456.566 2.361 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCSc1ccccc1 1358891004 YGVOSGFYOCYJAL-HKUYNNGSSA-N 463.629 2.251 30 10 JEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1358913197 IISVJSVJPRITAJ-PMACEKPBSA-N 459.620 2.109 30 10 JEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 1358913214 IRBNXWYRZNHGIS-ZWKOTPCHSA-N 465.620 2.477 30 10 JEEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1csc(-c2ccccc2)n1 1358949261 XCJFCLYONFGSCS-IBGZPJMESA-N 486.623 2.047 30 10 JEEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1CCC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1358966473 PQDNWDMACHOCNF-HXUWFJFHSA-N 472.611 2.406 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CC[C@@](C)(CC)O1)[C@H]1CCS(=O)(=O)C1 1358966754 VZPKGANNAYKVFN-SXWKCWPCSA-N 474.631 2.114 30 10 JEEE C#CCN1CCN(c2nnc(C3CCCC3)n2CCNS(=O)(=O)c2ccc(C)s2)CC1 1359034762 CCKTYRSHIPLMNX-UHFFFAOYSA-N 462.645 2.039 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1359096263 YTXVDFVBTYYPDH-NXLVEIQXSA-N 451.527 2.158 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccccc2C)nnc1N(C)CC(=O)N1CCOCC1 1359101398 NVLADLCQGBFXFT-ZJSXRUAMSA-N 453.587 2.454 30 10 JEEE C=C1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCCN2CCOCC2)CC1 1359165519 QSBPHZDVOKTVCO-HXUWFJFHSA-N 476.622 2.465 30 10 JEEE C=CCC(C)(C)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@@H](C(N)=O)C1 1359184427 OYWXJJMJFRCDIG-MRXNPFEDSA-N 459.620 2.461 30 10 JEEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N(C)Cc1cccc(Br)c1 1359303555 SXAVDLFLRXWDGN-UHFFFAOYSA-N 461.364 2.102 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCC23CC(CN2C(=O)OC(C)(C)C)C3)s1 1453819102 KLAKCDAHMLWOBD-UHFFFAOYSA-N 455.602 2.271 30 10 JEEE COCCN(C)S(=O)(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)OC)C1 1504860008 GFTIZKWAHFTRPA-FQEVSTJZSA-N 490.630 2.119 30 10 JEEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCn2cc(Cl)cn2)CC1 1504924572 AIHDZFQUAQKHCM-UHFFFAOYSA-N 470.965 2.047 30 10 JEEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1ccc(OC)nc1OC 1507610565 FVAQGCMLMXEBMK-UHFFFAOYSA-N 459.510 2.205 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@H](C)OC)[C@H]1CCS(=O)(=O)C1 1507627191 IZLNTRNFPRCMSI-HKUYNNGSSA-N 476.599 2.403 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1CCCc1nnc(C)s1)[C@H]1CCS(=O)(=O)C1 1507633798 HXNMGHBPVQSNHA-INIZCTEOSA-N 450.634 2.286 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCn1cc([C@@H]2CCOC2)cn1 1507662238 GSHFQGHXSIPHPW-OAQYLSRUSA-N 492.605 2.212 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H]1CCCCS1(=O)=O 1507672000 SPQQWEILJJNILK-RXVVDRJESA-N 454.552 2.221 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H]1CCCN1CC 1507709962 HBOMRSGDKAHQOZ-IBGZPJMESA-N 463.586 2.245 30 10 JEEE C=C(C)CN(CC)c1nnc(C(=O)NC(C)C)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1507806447 IDNUBYMXGBEKKV-QZTJIDSGSA-N 452.625 2.023 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1507844468 KKEUJEAHSLNVOO-LEWJYISDSA-N 471.583 2.222 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCS(=O)(=O)C1 1508020156 LSBFLOLHROBUDD-FQEVSTJZSA-N 457.600 2.184 30 10 JEEE C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1508049501 BYOXYBMMKFGJHN-UHFFFAOYSA-N 490.406 2.162 30 10 JEEE C=CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1508049806 ZONYTQWRBKMRNL-SFHVURJKSA-N 452.559 2.148 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCC(N(C)C(C)=O)CC1 1508145273 YYEGGNBBMHMBQL-UHFFFAOYSA-N 459.616 2.225 30 10 JEEE C#CC[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)cc(OC)c1OC)c1ccccc1 1534188300 VNQBGYKAJHHUOQ-HXUWFJFHSA-N 458.536 2.219 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1Cc1cccc(OCC)c1)[C@@H]1CCS(=O)(=O)C1 1539205074 FZEHITBMSIBGDV-YKSBVNFPSA-N 488.610 2.004 30 10 JEEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(CC)s1)[C@H]1CCS(=O)(=O)C1 1539205970 LCQCQLFYYYZUDV-HTAPYJJXSA-N 478.640 2.229 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1c(Cl)c(C(F)(F)F)nn1C 1539317759 HTIQLIZEKZZPGZ-GFCCVEGCSA-N 453.856 2.146 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC[S@](=O)C(C)(C)C 1539416618 QMHMBJUPZGZJJS-JTYJAPAGSA-N 497.662 2.220 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2CCC(=O)NC(C)C)CC1 1539436057 HRPAWTKWLZBNTA-UHFFFAOYSA-N 489.418 2.386 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](c2ccccc2)C2CC2)CC1 1539470218 ZJOZBKZEVLLBMI-XMSQKQJNSA-N 498.653 2.048 30 10 JEEE C=C(Br)Cn1c(C2CCC2)nnc1N1CCN([C@H](C)C(=O)NCCCOC)CC1 1539596951 RKUPNBPEGPTWPD-MRXNPFEDSA-N 469.428 2.117 30 10 JEEE C=CCOc1ccc(Cn2c(-c3cccnc3)nnc2N2CC[C@@H](S(=O)(=O)NCC)C2)cc1 1540877831 HCINIGVWXJTYQZ-OAQYLSRUSA-N 468.583 2.471 30 10 JEEE C=CCOc1ccc(Cn2c(-c3cccc(C)n3)nnc2N2CCN(S(C)(=O)=O)CC2)cc1 1540878067 MXIJPIDKNQISSA-UHFFFAOYSA-N 468.583 2.343 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2CCS(=O)(=O)N(C)C)C1 1540893785 JYVJALJBSRZONW-SFHVURJKSA-N 458.588 2.023 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1540899450 PCSRNLPYEVRTAF-QGZVFWFLSA-N 471.543 2.182 30 10 JEEE C=CCN1CC[C@@H](N(C)C(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3OC)cc2)C1=O 1586115191 JCUMUKVDWPBQFU-HXUWFJFHSA-N 457.552 2.379 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2cccc(C)c2C)n1CC(=O)NCCC)[C@@H]1CCS(=O)(=O)C1 1588029687 KQVDXWVOTCTZMT-VQTJNVASSA-N 487.626 2.188 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccccc2Br)n1C[C@H]1CC(=O)N(CCOC)C1 1588117369 DUGIMLQXRPRDRE-KRWDZBQOSA-N 470.371 2.275 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCN(C)Cc2ccc(F)cc2)CC1 1588750890 GSWBZYAOMJOGJW-AREMUKBSSA-N 484.620 2.345 30 10 JEEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2Cc2ccccc2OCCN(C)C)CC1 1588849056 XIJVNMFRSRBZEF-UHFFFAOYSA-N 459.598 2.008 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Cl)n2Cc2nncn2CC)CC1 1588913333 HJUTWLWHSJPFNH-UHFFFAOYSA-N 452.950 2.224 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCN(C(=O)OC(C)(C)C)C2CC2)CC1 1588923507 BNNKNOBYHZAQMV-UHFFFAOYSA-N 496.616 2.044 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)OCCOC)n1CC1(NC(=O)OC(C)(C)C)COC1 1589150057 BWYWMDUVOFEJDP-VGOFRKELSA-N 463.579 2.288 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(C)OCCc2sccc21 1595303557 VCXRJYGBMNEWJT-IIBYNOLFSA-N 466.629 2.369 30 10 JEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)CC(=O)Nc1ccc(N2CCOCC2)cc1 1596488081 QTHNMORHPZWAJT-HXUWFJFHSA-N 458.559 2.227 30 10 JEEE Cc1cc(Cn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N(C)[C@@H](C)CC#N)n(C)n1 1612466843 CRHKRCXCPWEGJB-INIZCTEOSA-N 456.576 2.024 30 10 JEEE CCN(CC)C(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cnn(C)c2)CC1 1615343565 AOYPXNVARNWVEC-UHFFFAOYSA-N 477.573 2.094 30 10 JEEE CN(C)C(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1617594511 COODOSXWSHKBLF-SFHVURJKSA-N 453.547 2.398 30 10 JEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 1626331177 BMAJQFYSRDACOC-RDJZCZTQSA-N 450.561 2.083 30 10 JEEE C#CCN1CCN(C(=O)CN2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2ccc(OC)cc2)CC1 1648185776 MWHYGGTWCQEJKM-JOCHJYFZSA-N 456.587 2.066 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1CN(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CCCO1 1658901765 BBDNKEDUHZMKGV-IBGZPJMESA-N 454.531 2.298 30 10 JEEE C=CCN(C(=O)Nc1cc(S(=O)(=O)C(F)(F)F)ccc1OC)[C@H]1CCS(=O)(=O)C1 1668582411 ATFJTADZKYLNDI-NSHDSACASA-N 456.464 2.196 30 10 JEEE Cc1nn(C)c(N2CCN(C(=O)Nc3ccccc3S(=O)(=O)NC(C)(C)C)CC2)c1C#N 1674333337 DSXSIDQCPXZPEF-UHFFFAOYSA-N 459.576 2.031 30 10 JEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1C[C@H](OCC)C12CCC2 1689892636 KDWDAGHJFFTYTD-ZCNNSNEGSA-N 479.647 2.198 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1689981783 BBGISZXWHLIBSU-GOSISDBHSA-N 470.511 2.133 30 10 JEEE C#CCN(c1nnc(-c2ccccc2)n1CCCn1nc(C)cc1C)[C@@H]1CCS(=O)(=O)C1 1689985795 BPZCIEXHTRXWBX-OAQYLSRUSA-N 452.584 2.475 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccccc2OC)n1CCNS(=O)(=O)c1ccc(C)s1 1690011447 OZVWHZQULDYRMH-UHFFFAOYSA-N 469.592 2.375 30 10 JEEE C#CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1690155117 GDCYCXVFXAFCLK-IRXDYDNUSA-N 475.958 2.342 30 10 JEEE C=CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1690642262 FRZUIRDZUSCUJY-RTBURBONSA-N 474.606 2.406 30 10 JEEE C=CCNC(=O)Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCN(C(=O)NC)CC1 1690674889 JDQWDYWEQHGCBW-UHFFFAOYSA-N 490.008 2.015 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N(C)Cc1ccc([S@@](C)=O)cc1 1690724495 QHFLOHRJMHTZCZ-WWOZWPLTSA-N 466.629 2.494 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CC(C)(C)NC(=O)OC(C)(C)C 1694352491 CLUGVHUDLJOFLE-MRXNPFEDSA-N 463.583 2.229 30 10 JEEE COc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CCN(CC(F)(F)F)C2)cc1 1697492500 BAPZKTXSGQDBEZ-LPHOPBHVSA-N 480.491 2.479 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(CS(C)(=O)=O)cc1 1705479678 NRYNTLNPRVIAGR-FDDCHVKYSA-N 460.600 2.370 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccccc1C)[C@H]1CCS(=O)(=O)C1 1705560394 GQHDCFIPNPPERE-URXFXBBRSA-N 472.611 2.302 30 10 JEEE C#CCN(c1nnc(-c2cc3ccccc3o2)n1CC(C)(C)C(=O)NCC)[C@H]1CCS(=O)(=O)C1 1705560777 KEBZAKUSXVTAPK-SFHVURJKSA-N 483.594 2.480 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1C[C@H]1CCCCS1(=O)=O 1705575132 BQDSCYPWKDYMBF-MRXNPFEDSA-N 464.389 2.086 30 10 JEEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1705601520 MDBNAQJPFQZNIS-YADARESESA-N 467.595 2.461 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1CCNC(=O)c1ccco1 1705622332 FOUSWQBKSIJMOA-UHFFFAOYSA-N 461.320 2.145 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H](c2cccs2)N(C)C)CC1 1705632608 WFPFEGUBGVBXJM-IBGZPJMESA-N 457.648 2.316 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@](C)(c2ccccc2)C1 1705662212 SRWOLESGNFALDC-PGRDOPGGSA-N 460.625 2.299 30 10 JEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCCN(C(=O)c2ccsc2)CC1 1705664589 UJTBGCNBWVACJQ-UHFFFAOYSA-N 472.640 2.181 30 10 JEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1Cc2cccc(Br)c2C1 1705890645 AMBNLJXRTUPIGF-INIZCTEOSA-N 468.377 2.080 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1705897234 ISYHZHWVMRRVCH-UYAOXDASSA-N 481.601 2.377 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC(Cn2nc(C)cc2C)CC1 1705936042 IPPQMZAELFMCHW-FQEVSTJZSA-N 462.620 2.113 30 10 JEEE COCC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2C[C@@H](C)O[C@H](C)C2)CC1 1712108211 DYPUYTMANZTUNW-WOJBJXKFSA-N 495.628 2.047 30 10 JEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1722326367 SLEXTIYHXXVEGH-LJQANCHMSA-N 495.609 2.160 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](c2ccc(OC)cc2)C1 1722332123 DEDAUTPKGRJFHM-PZJWPPBQSA-N 473.599 2.027 30 10 JEEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cccc(CN2CCO[C@H](C)C2)c1 1722357798 PUSADYAUVZYUOJ-OIBXWCBGSA-N 453.587 2.341 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H]1CCOC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1722361957 LBJRFVXCPYQJKS-GBESFXJTSA-N 488.610 2.262 30 10 JEEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CC1CCC(C(F)(F)F)CC1)[C@H]1CCS(=O)(=O)C1 1722368658 SKTNQMHRNCFIDY-SJJHQCBESA-N 487.548 2.225 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@@H]1CCO[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1722369752 GBKKTQSMTNBMRT-QWFCFKBJSA-N 476.574 2.438 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1cccc(OCC)c1)[C@@H]1CCS(=O)(=O)C1 1722372501 XYJONIJYKBSQAR-OAQYLSRUSA-N 482.610 2.213 30 10 JEEE C#CCN(CCOC)c1nnc(Cc2ccccc2F)n1C[C@H]1CCCN1c1cnn(C)c1 1722425824 NQPGWHSFJWVETE-HXUWFJFHSA-N 451.550 2.497 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2Cc2cc(C)nn2C)CC1 1722442722 AGXYEAMQHOWLTF-UHFFFAOYSA-N 477.569 2.018 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1722444177 GKWAMFXWIMTRPI-BULFRSBZSA-N 485.560 2.063 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1722449379 QOHDLVVKBLHIHE-OAQYLSRUSA-N 480.588 2.232 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H]1CCCS(=O)(=O)C1 1722469170 VPPLBFHQAZTPCY-VLCRHTCISA-N 450.605 2.136 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1722502169 RMUVTXXOEJHWER-FIXSFTCYSA-N 476.666 2.027 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)C1CCCCC1 1722518264 YABGBCABFABNCX-SIKLNZKXSA-N 469.652 2.345 30 10 JEEE C=CCN(c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCNS(C)(=O)=O)C1CC1 1722651687 YFKBHVLIRZCWTJ-UHFFFAOYSA-N 468.624 2.097 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCO[C@H](c2cccc(OC)c2)C1 1722729830 YGQUZRZHQLIEBN-QFIPXVFZSA-N 483.594 2.451 30 10 JEEE CC(=O)N1CCN(CCn2c([C@@H](C)Oc3ccccc3F)nnc2N2CC[C@](F)(C#N)C2)CC1 1722795236 FNUVQGLZINAFFQ-HXOBKFHXSA-N 473.528 2.163 30 10 JEEE C[C@H](CC#N)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1nnc2n1CCCCC2 1723772148 HJAXXYVLMCIDFZ-QGZVFWFLSA-N 497.629 2.300 30 10 JEEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H]1CCCCO1 1729396262 BFZAFXAPSWBXIC-RTWAWAEBSA-N 488.614 2.078 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCc1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1740621247 VBQRBQIBHZRLKK-QGZVFWFLSA-N 474.974 2.468 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCSC1)[C@H]1CCS(=O)(=O)C1 1740624261 HGNDGSVDKMHNOZ-RDJZCZTQSA-N 451.643 2.014 30 10 JEEE C#CCN(CC)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@@]1(O)CCS(=O)(=O)C1 1740664921 ISWPRXNXZNXKOG-QHCPKHFHSA-N 470.551 2.126 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2cccc(C)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1740763552 MOTJASRUOHPYHR-SIKLNZKXSA-N 475.615 2.228 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCCN(c2nc(C)ns2)CC1 1740991313 SWRMOQBOHOBIHC-UHFFFAOYSA-N 465.649 2.413 30 10 JEEE C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1CC1CN(C(=O)OC(C)(C)C)C1 1743196627 DLABNWNYPFVSKN-MRXNPFEDSA-N 465.558 2.351 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCN1CCCO[C@H](C)C1 1748651226 JZDIDKCGGJQVCA-RTBURBONSA-N 459.616 2.307 30 10 JEEE C#CCN(c1nnc(-c2cn(C)c3ccccc23)n1CCCCCO)[C@H]1CCS(=O)(=O)C1 1748812073 PGHYCZQZHQFELA-SFHVURJKSA-N 455.584 2.226 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3)n2CC2(S(C)(=O)=O)CC2)CC1 1748979803 NOGCYYGZFAVIAY-UHFFFAOYSA-N 478.416 2.040 30 10 JEEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2Cc2ccc(NC(C)=O)nc2)CC1 1748994513 JHQAOQPGOXNPCQ-UHFFFAOYSA-N 459.554 2.057 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CCCC)CC1 1749003708 SKFYISNMFKPBJY-UHFFFAOYSA-N 471.631 2.313 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2CCCOC(F)(F)F)CC1 1749015543 GKFUUDZVTPDZAX-UHFFFAOYSA-N 498.531 2.162 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(Cl)nc1 1749158545 INZQCQYFNSXXBC-MRXNPFEDSA-N 454.984 2.110 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(O)CCC[C@H]1C 1749554178 PZFDJIYFVHXSLC-ZWCUEREDSA-N 495.671 2.416 30 10 JEEE COCC[C@](C)(O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1749608533 AQANLJUKKNYTIC-YKSBVNFPSA-N 450.543 2.182 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1749680648 NIERBDCIEBIMOF-HNNXBMFYSA-N 462.938 2.090 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2Cc2ccc(C(N)=O)nc2)C1 1749701270 RWHDLBGDDJOPMB-GOSISDBHSA-N 464.526 2.286 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1749736956 USTOQFXXUCIBFW-RTWAWAEBSA-N 460.600 2.162 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CC2(CCOC)CC2)c1 1760126643 FIFIHIDMNOFBBW-UHFFFAOYSA-N 464.570 2.387 30 10 JEEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccccc1CN1CCC(O)CC1 1760164887 CXPTZXTUZVICEK-AREMUKBSSA-N 467.614 2.393 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1CCCC(=O)NC1CC1)[C@@H]1CCS(=O)(=O)C1 1760182403 FKCJZTCSCAGWGK-QGZVFWFLSA-N 493.992 2.423 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@](C)(OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1760182678 IHEMARJFPRPSCJ-CYFREDJKSA-N 488.610 2.404 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@@H]1CCCN(C(C)=O)C1)[C@@H]1CCS(=O)(=O)C1 1760191971 ORKNBTNHMJIRDZ-FGZHOGPDSA-N 499.637 2.051 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1760192024 CPRAQMRPDHBOQK-NJDAHSKKSA-N 477.675 2.309 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)N2CCCC2)n1CC1(C(N)=O)CCCC1 1760240522 UJVKGLGPKCNRGY-UHFFFAOYSA-N 452.534 2.339 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2CC2([S@@](C)=O)CC2)CC1 1760257985 DIJPBKMSUQFCHK-MGBGTMOVSA-N 471.627 2.409 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@@](C)(O)CCOC)CC1 1760267170 ICOYVWIUKXLEJC-VWLOTQADSA-N 453.587 2.261 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2Cc2cnccc2OC)CC1 1760270070 IIYSVAVTNYWHNN-UHFFFAOYSA-N 462.529 2.426 30 10 JEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 1760272604 PPRSMEJSCWNIHX-INIZCTEOSA-N 450.609 2.228 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccc2F)nnc1N1CCN(CC(=O)NCC)CC1 1760323506 CXZFLECGSMBNCU-YKSBVNFPSA-N 470.593 2.247 30 10 JEEE C=C(C)Cn1c(-c2ccccc2Br)nnc1N1CCN(CC(=O)NCCOC)CC1 1760344108 WLMIAJRFJSYWOT-UHFFFAOYSA-N 477.407 2.168 30 10 JEEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2ncc(F)cn2)CC1 1760359505 HGKLICHAGQVGJD-UHFFFAOYSA-N 486.577 2.118 30 10 JEEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)(C)NC(=O)OC(C)(C)C)C1CC1 1760470059 KOCBEJJVJOXNNQ-CQSZACIVSA-N 456.613 2.346 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNC(=O)C(C)C 1760487083 IZJJTTPXHZKZGO-MRXNPFEDSA-N 451.618 2.207 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCCN(Cc2ccc(OC)cc2)C(=O)C1 1760525481 HLIGAMQSIOIORN-UHFFFAOYSA-N 494.621 2.480 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1760551937 XDALNSDZFBLQJR-FVJLSDCUSA-N 450.561 2.220 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCS(=O)(=O)C3(CCCCC3)C2)nnc1C(C)(C)C 1760557997 CRGQSPIDWPWMEW-UHFFFAOYSA-N 458.650 2.114 30 10 JEEE CC[C@H](C)c1nnc(N2CCN(c3c(C#N)cnc4ccccc34)CC2)n1CCS(=O)(=O)NC 1763740106 AWIRVSUHJYEBPH-KRWDZBQOSA-N 482.614 2.087 30 10 JEEE COc1ccc(OCc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H]2CCCCS2(=O)=O)cc1 1768733374 HSDASVIYXDAWRT-NQIIRXRSSA-N 463.535 2.275 30 10 JEEE CCOC(=O)c1sc([C@H](C#N)C(=O)CN2CCN(c3ncccn3)CC2)nc1C(F)(F)F 1872800771 VIXMKZYFAAMQBZ-GFCCVEGCSA-N 468.461 2.127 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CCS(C)(=O)=O)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2180983333 OTJKDEXAKYQQMS-QGZVFWFLSA-N 482.408 2.252 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H]1NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2255752253 HPXUJHYFMXWVNT-PBHICJAKSA-N 452.382 2.177 30 10 JEEE CC(C)(C)OC(=O)NC[C@H](O)CNC(=O)c1cc(Cl)ccc1B1OC(C)(C)C(C)(C)O1 2255816608 IIGXWNKHNOYKCY-CQSZACIVSA-N 454.760 2.255 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCC[C@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2256619726 BEHCXSPEGLSVHN-STQMWFEESA-N 452.386 2.281 30 10 JEEE C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccc(B2OC(C)(C)C(C)(C)O2)s1 2256620001 CWJDFRLOQVHBMV-CJNGLKHVSA-N 454.398 2.280 30 10 JEEE Cc1nn(C)c(C(=O)N2C[C@H]3C[C@H]2[C@H]3NC(=O)OCc2ccccc2)c1B1OC(C)(C)C(C)(C)O1 2267134713 SZUFGORANJHCHH-HBFSDRIKSA-N 480.374 2.167 30 10 JEEE CC(C)(C)OC(=O)NC[C@H](CNC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C(F)(F)F 2267140436 CGJCODIMFJLCEG-NSHDSACASA-N 462.278 2.142 30 10 JEEE Cc1nc(C(=O)N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2267175039 IODCOHYYVIBVRT-CQSZACIVSA-N 467.397 2.116 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)c(F)c2)C1 2267363980 RNLKSFKUTNABME-CQSZACIVSA-N 470.372 2.413 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1CO 2267593300 KBNFAVWYWSKKPL-ZBFHGGJFSA-N 466.409 2.395 30 10 JEEE CC(C)(C)OC(=O)NC/C=C\CNS(=O)(=O)Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2268406761 MSSOSLJQNIRKTF-HJWRWDBZSA-N 466.409 2.486 30 10 JEEE CN(Cc1sccc1B1OC(C)(C)C(C)(C)O1)C(=O)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 2268713707 AVQNXMGRLMFAGM-JOCHJYFZSA-N 466.409 2.378 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)ccc1F 2268721605 NOTBTYDKJMAYSL-INIZCTEOSA-N 452.332 2.017 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2F)C[C@H](O)C1 2281782159 SCOBRYOFEGINHD-HNNXBMFYSA-N 464.343 2.179 30 10 JEEE Cn1ncc(C(=O)N2C[C@H]3CN(Cc4ccccc4)C[C@@]3(C)C2)c1B1OC(C)(C)C(C)(C)O1 2281816569 YSAMSCOSLNFSKZ-CLOONOSVSA-N 450.392 2.313 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(CCNC(=O)OC(C)(C)C)CCN(C)C 2281960064 UFVRWEIZTVUDDX-UHFFFAOYSA-N 482.456 2.279 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@@](C)(CNC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C1 2281998154 LDFWNMNGVKQZCT-QFIPXVFZSA-N 481.424 2.446 30 10 JEEE C[C@H](O)CN(CCNC(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1F)C(=O)OC(C)(C)C 2282400884 JMISLAMVNRNRKC-HNNXBMFYSA-N 466.359 2.473 30 10 JEEE Cc1cnc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c(B2OC(C)(C)C(C)(C)O2)c1 2282656815 JHJCVCMYZGHCNX-INIZCTEOSA-N 456.352 2.274 30 10 JEEE C[C@@H](c1nscc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)CN1CC(NC(=O)OC(C)(C)C)C1 2283952924 NHTPQHNSAGRHFM-AWEZNQCLSA-N 480.440 2.171 30 10 JEEE Cn1cc([C@@H](NC(=O)OC(C)(C)C)C(=O)Nc2ccccc2B2OC(C)(C)C(C)(C)O2)nn1 2283967845 HORMIAGRVAZYCE-QGZVFWFLSA-N 457.340 2.319 30 10 JEEE CC(C)(C)OC(=O)NC1(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)CC(CO)C1 2284042506 VSDNLMWKGWZKQB-UHFFFAOYSA-N 465.331 2.124 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H](COCc1ccccc1)C(=O)O 2284413182 IAFBSHMNVCRDGC-LJQANCHMSA-N 475.372 2.243 30 10 JEEE CN(C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1)[C@@H]1CN(C(=O)OC(C)(C)C)CC12CC2 2287008785 INPZCETWAVGREF-MRXNPFEDSA-N 460.384 2.191 30 10 JEEE C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)NCCc1c(F)cccc1B1OC(C)(C)C(C)(C)O1 2289660821 WVLFXUCDBGLPTM-KDOFPFPSSA-N 466.359 2.058 30 10 JEEE COc1ccc(C=Nn2c(Cc3ccccc3[N+](=O)[O-])nnc2SCC(N)=O)c(OC)c1 2328465524 JGCJRSXYDVYANN-UHFFFAOYSA-N 456.484 2.254 30 10 JEEE COc1ccccc1CCc1nnc(SCC(N)=O)n1N=Cc1cc(OC)c(O)c(OC)c1 2328681761 OFRVHGAAIUDWHQ-UHFFFAOYSA-N 471.539 2.254 30 10 JEEE CC1(C)OB(c2ccccc2S(=O)(=O)N[C@H](CCO)COCc2ccccc2)OC1(C)C 2343585996 XEJAJQWFEYBTNF-LJQANCHMSA-N 461.389 2.232 30 10 JEEE CN(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C)[C@@H]1CN(C(=O)OC(C)(C)C)CC12CC2 2362354754 VXVXRAQMFGDXQS-OAHLLOKOSA-N 460.384 2.191 30 10 JEEE COc1[nH]c(=NC[C@@H]2CN(C(=O)OC(C)(C)C)CCCO2)ccc1B1OC(C)(C)C(C)(C)O1 2365349047 YUYQKVMZDUPYQJ-MRXNPFEDSA-N 463.384 2.249 30 10 JEEE C=CCn1c(C)cc(C(=O)COC(=O)[C@H](NS(=O)(=O)c2ccc(C)c(C)c2)[C@@H](C)O)c1C 9084135 AYLGKNRZILNZRP-XMSQKQJNSA-N 462.568 2.362 30 10 JEEE COC(=O)c1ccc(/C=N/Nc2nnc(SCCC(=O)Nc3ccccc3[N+](=O)[O-])n2N)cc1 20914083 AKTAHAQFUCSUCS-WSDLNYQXSA-N 484.498 2.254 30 10 JEEE CCN(CC)c1ccc(/C=N/Nc2nnc(SCC(=O)NCc3ccccc3)n2N)c(O)c1 21325762 MVURZLIXBBNJPY-AFUMVMLFSA-N 468.587 2.398 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2Cc2cnn(C)c2C)c1 1286312106 ULJUJZNACDJZDW-UHFFFAOYSA-N 454.538 2.410 30 10 JEEE C#CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1286315982 QLJQFCSJNBQJBN-UHFFFAOYSA-N 490.406 2.413 30 10 JEEE C#CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1286322557 CIGVXCJWWPTRPF-SJORKVTESA-N 470.599 2.253 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccc(F)c(COC)c1)[C@@H]1CCS(=O)(=O)C1 1286399103 YQGQHBVZXNLYAT-UYAOXDASSA-N 462.547 2.090 30 10 JEEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(=O)Nc1ccc(F)cc1 1286462447 KOLWJJVQLRFKPI-UHFFFAOYSA-N 499.572 2.102 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccc(OCC(F)(F)F)nc2)CC1 1286472867 LZHXJAIOLZGSRG-QFIPXVFZSA-N 494.518 2.070 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H](C)CN2CCCCC2)CC1 1286473874 UHZMFOQOKKGLEZ-NRFANRHFSA-N 484.670 2.226 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1286550139 YQFPFWAGZQQBPU-MSOLQXFVSA-N 498.550 2.390 30 10 JEEE C=CCCOCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCCN(C(C)C)CC1 1286707428 DGCLLEPXXSWFJM-UHFFFAOYSA-N 451.579 2.434 30 10 JEEE C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1286769709 MWLRKBRVEGJCRY-OAHLLOKOSA-N 462.396 2.355 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(F)cc2Br)nnc1N(C)CCn1cccn1 1286782818 ACNXWTZTGJDUAD-UHFFFAOYSA-N 462.327 2.482 30 10 JEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N(C)Cc1cccc(Cl)c1 1286822637 MHIBSIPFCUJZFY-UHFFFAOYSA-N 451.980 2.291 30 10 JEEE CC(C)N(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1287926729 CVLLUJDVDWJUJK-LEWJYISDSA-N 451.575 2.316 30 10 JEEE Cc1nn(C)c(N2CCN(c3nnc(CC4CC4)n3CC[S@@](=O)C(C)(C)C)CC2)c1C#N 1290576438 FGFFJLCXOVHGNB-JGCGQSQUSA-N 458.636 2.018 30 10 JEEE CCc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H](N1CCOCC1)C(F)(F)F 1292614315 HTYPDRXULPQCKH-ICSRJNTNSA-N 494.518 2.411 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2CCN2CCOC(C)(C)C2)c1 1300334215 IMNLCHQNTRTFSK-UHFFFAOYSA-N 487.608 2.431 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1CCN(C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1300488990 YJGWSIIAFYASSQ-NRFANRHFSA-N 464.595 2.099 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1CC(=C)Br)[C@H]1CCS(=O)(=O)C1 1300499438 RUUNWENTBWAASU-KRWDZBQOSA-N 479.400 2.413 30 10 JEEE C#CCN(c1nnc(COCC)n1Cc1c(Cl)cccc1OC)[C@@H]1CCS(=O)(=O)C1 1300503221 BJDXXQMKSAKABG-OAHLLOKOSA-N 452.964 2.152 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(C(=O)NCC)CCC1 1300789632 RUTPJOBVYLSLGH-XMMPIXPASA-N 498.653 2.494 30 10 JEEE C=C(Br)Cn1c(Cc2ccccn2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1300850978 HOEXVFQPNXVUFP-UHFFFAOYSA-N 488.434 2.307 30 10 JEEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1CCN(CCN(C)C)CC1 1301271682 ZIZLEZIHPPEQMI-UHFFFAOYSA-N 488.706 2.442 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1301482723 BBDTVKYDUJPENW-AWEZNQCLSA-N 477.363 2.287 30 10 JEEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CCCN(C(=O)C(C)C)CC1 1301509406 GZIYEZUSWORHGK-UHFFFAOYSA-N 452.603 2.450 30 10 JEEE CC(=O)N1CCC[C@H](Cn2c(-c3csc(N4CCOCC4)n3)nnc2N(C)C[C@@H](C)C#N)C1 1301681010 GVDUCVDKXIUIIK-WMZOPIPTSA-N 472.619 2.093 30 10 JEEE CO[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@@H]2C1)C(C)(C)C 1315226713 DXBHTKZRUASZAM-HKUYNNGSSA-N 454.531 2.431 30 10 JEEE C=C[C@@H]1OCC[C@H]1C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(F)(F)F 1351212216 ZPFSFCFOOMGMRQ-ZBFHGGJFSA-N 464.462 2.178 30 10 JEEE CC(=O)N[C@](C)(C(=O)Nc1nc(C)c(SCC#N)s1)c1ccc(S(C)(=O)=O)cc1 1354682749 GOZGSWCKRRQENM-SFHVURJKSA-N 452.583 2.461 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCc1nccnc1C 1358875308 NEYPJERDYWKWQE-HNNXBMFYSA-N 452.588 2.346 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1cccnc1OCC(F)F 1358879946 BFHYRIZKJJOAEF-HNNXBMFYSA-N 465.468 2.466 30 10 JEEE C#CCN(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@@H]1CC(=O)N(CCOC)C1 1358941432 JYHVTXWKIZBOKA-CQSZACIVSA-N 464.339 2.411 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(O)cc1)[C@H]1CCS(=O)(=O)C1 1358959930 SHSZAGBFXQZQNY-KRWDZBQOSA-N 457.943 2.374 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1CCN1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1358966897 ZDEIZDWTZXFIBI-JTHBVZDNSA-N 469.655 2.422 30 10 JEEE C#CCN(c1nnc(CSc2ccccc2OC)n1C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1358967686 QBAYXISUQIRWCK-QZTJIDSGSA-N 476.624 2.385 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2ccccc2)CC1 1359036135 NYSSCFYOMBOKCA-OAQYLSRUSA-N 466.586 2.390 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C(=O)N2CCCC2)CC1 1359048224 JFHJKWAFECZNRY-UHFFFAOYSA-N 467.599 2.131 30 10 JEEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H](C)CN1CCN(CC)CC1 1359237779 MMNQCBJDSQKCRG-LJQANCHMSA-N 464.618 2.088 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1359296814 VNJBBXUMELSSAK-RUZDIDTESA-N 466.586 2.389 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)OC1CCCC1 1359330997 JPNAJOXIWAJPJG-UHFFFAOYSA-N 472.571 2.103 30 10 JEEE C[C@H]1CN(CCN(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)N2CCOCC2)C[C@@H](C)O1 1360540232 DWQHQFIJBDSFSV-PCCBWWKXSA-N 467.618 2.083 30 10 JEEE C#CCN(C)CCCNC(=O)[C@@H](Cc1cccc(Br)c1)[C@@H]1CCS(=O)(=O)C1 1450484884 IOSQRJALRCIGSN-MJGOQNOKSA-N 455.418 2.114 30 10 JEEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H](C)C(=O)Nc1cccnc1C 1450903357 FMYQZUKSXIMIJO-MAUKXSAKSA-N 457.556 2.131 30 10 JEEE CC[C@H](C)[C@](C)(O)Cn1c(-c2cccn2C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1494894946 BXBUCOASAQVBLA-LLJLJFOGSA-N 463.590 2.457 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc(Cl)nc3)n2C[C@]2(O)CCN(C)C2)c1 1507548579 AZQLIIOTWOAWRY-DEOSSOPVSA-N 479.972 2.116 30 10 JEEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 1507558170 CEFYBTDSCCIKBG-RBBKRZOGSA-N 466.634 2.299 30 10 JEEE C#CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(CCOC)CC1 1507560632 MBROUCKLWARHOQ-UHFFFAOYSA-N 463.586 2.247 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CCC1CCC(OC)CC1)[C@H]1CCS(=O)(=O)C1 1507633173 CCDNZXIZIYCULG-IRQNMHNUSA-N 471.627 2.486 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OC)n2CC2=CCCOC2)CC1 1507741062 KHOWQVCUBQHOTF-UHFFFAOYSA-N 465.554 2.178 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1([S@@](C)=O)CC1 1507771802 CUCJHTZTWUGPEY-ZHYZESQWSA-N 477.631 2.490 30 10 JEEE C=C(Cl)Cn1c(N2CCO[C@@H](Cn3cc(C)cn3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1507873149 JRVWIWCLJHSGRJ-WIYYLYMNSA-N 450.971 2.482 30 10 JEEE C=CCC(C)(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C(=O)NCC)CC1 1507910800 BENAKZUQHUYBRU-UHFFFAOYSA-N 464.578 2.375 30 10 JEEE C=CCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N(C)CCN2CCOC(C)(C)C2)cc1 1508100165 FPQFVAOZCNNQSV-OAQYLSRUSA-N 468.602 2.389 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(O)(C(F)(F)F)CC1 1508133303 HABFABLAUXZEHF-UHFFFAOYSA-N 469.489 2.311 30 10 JEEE C[C@@H]1CCC[C@](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(S(C)(=O)=O)CC2)(N(C)C)C1 1512095085 GHLMCJKYZYVTHU-DVECYGJZSA-N 485.658 2.409 30 10 JEEE CCN1CCN(C[C@H](C)Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N(C)[C@@H](C)CC#N)CC1 1515936595 HGIRPRVUVBEZLC-PMACEKPBSA-N 487.674 2.361 30 10 JEEE CO[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1)C(C)(C)C 1517861012 APNDGRMZBOQSFV-PKOBYXMFSA-N 461.588 2.413 30 10 JEEE C=CCn1cc(CNC(=O)[C@H](CCS(C)(=O)=O)Cc2cccc(Br)c2)nn1 1529543401 BLZVTJOGYFECST-OAHLLOKOSA-N 455.378 2.136 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)CC)n2C[C@@H]2CCN(S(C)(=O)=O)C2)c1 1539037568 HFKSVLZDSWBYIK-IEBWSBKVSA-N 472.615 2.129 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3OCC[C@H]3COC)n2CCN2CCCC2)c1 1539045335 CBPAKGPAAJJOBF-REWPJTCUSA-N 466.586 2.154 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCO[C@@H]1C(=C)C)[C@@H]1CCS(=O)(=O)C1 1539226213 VFSBTGNZVCCWBB-FBBABVLZSA-N 475.640 2.242 30 10 JEEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1cc(Br)ccc1OC 1539273245 LWKZMPSYXSATGQ-UHFFFAOYSA-N 456.344 2.293 30 10 JEEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@]1(O)CCCC1(C)C 1539409232 SWIZGUPANDZUIF-HSZRJFAPSA-N 474.631 2.265 30 10 JEEE C#CCN1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CC(O)(CCC)CCC)CC1 1539445898 JVUVBWQILHJJJA-UHFFFAOYSA-N 477.613 2.279 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2C[C@@H]2CCN(CC(F)(F)F)C2)CC1 1539481942 INUCOLXCGYYHPT-QGZVFWFLSA-N 454.541 2.327 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Br)cc2)nnc1N(C)[C@@H]1CCOC1 1540874393 FNLFHROQNCWLKT-OAHLLOKOSA-N 450.337 2.147 30 10 JEEE CC[C@H](C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](CNC(C)=O)C1 1545691391 AMUGWFFEUYNPQM-FXAWDEMLSA-N 451.575 2.474 30 10 JEEE CC[C@@H](C)NC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCOC2)CC1 1545716968 CVJGGNYYHLBMSI-IFMALSPDSA-N 495.628 2.192 30 10 JEEE CCC[C@@H](C)C(=O)NCCn1c(-c2cccn2C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1546859064 HDUJCQQBPZKXQA-RTBURBONSA-N 490.616 2.213 30 10 JEEE CO[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CCCC2)C[C@H]1OC 1555786559 AKGPWBHSPYJFGG-KDURUIRLSA-N 459.572 2.024 30 10 JEEE CCN(CC)CC(=O)Nc1cccc(NC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)c1 1570024932 BDDVJFUTDFGNOZ-INIZCTEOSA-N 457.556 2.144 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1CC[S@](=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1588065485 ZVXJYQJUSLDXQB-ADKRDUOOSA-N 468.670 2.104 30 10 JEEE C#CCN(CC#CC)c1nnc(Cc2c(F)cccc2F)n1C[C@H]1CCCN1S(C)(=O)=O 1588237559 CPZVCWYXHHMFMH-QGZVFWFLSA-N 461.538 2.034 30 10 JEEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1588459329 SMJPNIHTVGFQRA-VCOUNFBDSA-N 454.575 2.130 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC[C@H](OC)C(F)(F)F 1588629016 UBPOTSHKVAGAGC-KRWDZBQOSA-N 478.475 2.245 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCc2cccs2)CC1 1588762988 PKDZNSPSUHNMSN-UHFFFAOYSA-N 455.609 2.408 30 10 JEEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1595838002 IIHLPWVLIKIFAK-UHFFFAOYSA-N 463.696 2.330 30 10 JEEE C=CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@](C)(C(N)=O)C1 1595884788 SUZRMIXQZZOXQZ-ZHRRBRCNSA-N 480.635 2.207 30 10 JEEE C#CCN(CC(=O)N1CCNC(=O)[C@@H]1c1ccccc1Br)C(=O)OC(C)(C)C 1611006921 HGLSRNDKZSBYKG-KRWDZBQOSA-N 450.333 2.319 30 10 JEEE 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 1616126801 CWTWWHMAILKWDV-ZJGLVFBPSA-N 465.616 2.178 30 10 JEEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCCO[C@@H](C)C2)C[C@H]1C 1619937176 BWBBWVBNOYXTSL-YADHBBJMSA-N 481.645 2.475 30 10 JEEE C#CCOc1ccc(F)cc1NC(=O)N1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1 1623168836 ACYNMNXFGNPQBS-UHFFFAOYSA-N 452.552 2.497 30 10 JEEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)CC1 1636475412 HFUQKEFZMXSLOI-UHFFFAOYSA-N 452.511 2.266 30 10 JEEE C#CCN(C(=O)CNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)C1CCN(C)CC1 1646420676 FHZPSKBOGOTSMO-UHFFFAOYSA-N 451.898 2.193 30 10 JEEE C#CC[C@@]1(C(=O)NCCOCCOCC(=O)OC(C)(C)C)CCCN1C(=O)OC(C)(C)C 1648542049 BFECZJAKYRUFLV-QHCPKHFHSA-N 454.564 2.271 30 10 JEEE C=C(C)C[C@H](NS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)cc1)C(=O)OC 1656406674 XLQZKXQDFKTZPO-MDZRGWNJSA-N 458.602 2.139 30 10 JEEE CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)N1CCO[C@H](c2cccc(C#N)c2)C1 1672493893 APMSZCVPEYRRKQ-NRFANRHFSA-N 457.556 2.480 30 10 JEEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1C[C@@H](c1ccc(C)cc1)N1CCOCC1 1689860765 HCTFJUWTAKIBJE-UNMCSNQZSA-N 450.587 2.240 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H](C)c1ncc(C)s1)[C@H]1CCS(=O)(=O)C1 1689991760 BZUKURAGUPVIRV-APWZRJJASA-N 470.624 2.459 30 10 JEEE C#CCN(c1nnc(CC2CCCC2)n1Cc1nccc(C(F)F)n1)[C@H]1CCS(=O)(=O)C1 1689994379 XEHGTHCIHTWZQU-INIZCTEOSA-N 464.542 2.413 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC[S@@](=O)C(C)(C)C 1690013317 KHCVHTWPUUMABF-MGBGTMOVSA-N 464.595 2.295 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCCN2CCC(O)CC2)CC1 1690132108 HVSRBZYPVMHYFJ-UHFFFAOYSA-N 466.630 2.076 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@]2(N(C)C)CCSC2)CC1 1690139468 OBFGUSXKQBEUPT-XMMPIXPASA-N 497.625 2.256 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(C(=O)N(C)C)CCCC2)CC1 1690139593 SZKRAYXQMIXXMM-UHFFFAOYSA-N 487.608 2.431 30 10 JEEE C#CCSCCn1c(N2Cc3c(OC)ccc(OC)c3[C@H](O)C2)nnc1[C@]1(OCC)CCOC1 1690186670 TZUFABJIECIUMT-KOSHJBKYSA-N 488.610 2.367 30 10 JEEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1690674741 CXQPHKDTGZGPIJ-FQEVSTJZSA-N 459.616 2.159 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 1690677954 FYXQYESZTXUOEX-LSDHHAIUSA-N 453.469 2.489 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCC(=O)NC(C)(C)C)C1 1690696847 KEAKOKHVNFTIEO-KRWDZBQOSA-N 479.585 2.278 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H](C)N2CCN(CC)CC2)C1 1690709346 FXJJQXHTSAELRM-WIYYLYMNSA-N 459.664 2.441 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 1690720638 OPZAITIYIFKZHB-IBGZPJMESA-N 499.572 2.480 30 10 JEEE COc1cccc(-c2nnc(N3CCN(c4c(C#N)c(C)nn4C)CC3)n2C[C@H](C)OC)c1 1697521674 DCYGNVFGCOMWSZ-INIZCTEOSA-N 450.547 2.229 30 10 JEEE C#CCCCn1c(Cc2cn3ccccc3n2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1705536598 RYMSSGNJLZIFGC-UXHICEINSA-N 463.586 2.298 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2ccccc2F)n1CCC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1705561216 RGYZRJYIVKGARE-IAGOWNOFSA-N 464.563 2.345 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CC1(C)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1705563240 TWPHYNSTDZSJBX-QGZVFWFLSA-N 463.991 2.437 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1CCn1cc(Cl)cn1)[C@@H]1CCS(=O)(=O)C1 1705568886 WUKONLBBEBPRNZ-LJQANCHMSA-N 489.001 2.342 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H](C)N(C)c2ccccc2)CC1 1705652651 HUNBJLORMAZVKY-SFLYRZDNSA-N 494.640 2.493 30 10 JEEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1705654626 OETLIOJANHMXIQ-YLJYHZDGSA-N 456.572 2.377 30 10 JEEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 1705660618 ZVOPQQDSMYUZNU-HXUWFJFHSA-N 489.667 2.440 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@](C)(c2ccccc2)C1 1705662213 SRWOLESGNFALDC-XMSQKQJNSA-N 460.625 2.299 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(C)C)C(=O)C1 1705693518 HMODLKMBIZZRNQ-NQIIRXRSSA-N 467.574 2.211 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](OC)c1ccccc1 1705717662 PCMLPEWRTVXDRJ-PMACEKPBSA-N 463.604 2.401 30 10 JEEE C=C(Cl)Cn1c(-c2cccn2C)nnc1N1C[C@@H]2[C@@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1705751135 AWGIXHJUIFRSJN-VYDXJSESSA-N 497.021 2.163 30 10 JEEE C=CC[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](COC)C1)c1ccccc1 1705797470 WXGVAYRYUCHPQA-NNWRFLSQSA-N 489.642 2.444 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[C@H](c2ccnn2C)C1 1705895605 MIGLIKHRFZRUOI-KRWDZBQOSA-N 495.584 2.391 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 1705896233 GFUNFZASMZZODM-SFHVURJKSA-N 465.558 2.470 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC[C@H](CN3CCCC[C@@H]3C)C2)nnc1[C@]1(OCC)CCOC1 1705909152 PBFXTTLGAGVWOZ-BKSPAHHJSA-N 474.650 2.323 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1705933112 URULYMZWKORVPC-QFIPXVFZSA-N 495.609 2.136 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H]2CCC[C@@H]21 1705935988 HOCHTZKCLSPYFP-BZSNNMDCSA-N 481.619 2.176 30 10 JEEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2nc(C(F)(F)F)cs2)CCO1 1711362656 CSOVVIAFDJOCPP-AWEZNQCLSA-N 477.472 2.292 30 10 JEEE COc1cc(Cl)ccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1CCCN1CCCO 1711681311 CEHPQUGQESGIST-ROUUACIJSA-N 460.966 2.183 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc(OC)c(Br)c1 1722274924 AQTLYSPUKVRORB-ZIAGYGMSSA-N 484.420 2.360 30 10 JEEE C#CCN(c1nnc(-c2cccc(Br)c2)n1CCOCC)[C@H]1CCS(=O)(=O)C1 1722364694 MEMLNUIBLBEXQG-KRWDZBQOSA-N 467.389 2.371 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(N2CCCC2=O)c1 1722370179 IPVGXDFYADMFTB-UHFFFAOYSA-N 453.506 2.173 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2OC)n1CCS(=O)(=O)N1CCSCC1 1722376350 ZFPYPCRFADJMCI-UHFFFAOYSA-N 494.042 2.059 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CCS(=O)(=O)CC1 1722503065 KUAKLSCKFVVJJR-DENIHFKCSA-N 460.600 2.288 30 10 JEEE C=CCOc1ccccc1Cn1c(COCC)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1722708502 WGVPZQYSDRCNMT-XMMPIXPASA-N 468.558 2.242 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1722714079 GESWNCQJACEDEN-MOPGFXCFSA-N 491.614 2.168 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@H](C)[C@@H]1C 1722729329 YZIJOKQMUNYKGK-ROUUACIJSA-N 459.620 2.288 30 10 JEEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCS(C)(=O)=O)C[C@@H](C(F)(F)F)O1 1726670558 FVTLWVOTHAITQN-CJNGLKHVSA-N 457.478 2.407 30 10 JEEE CSc1ccc(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@@H](C)CC#N)cc1 1731073944 CFSCCGZCANTCOO-LPHOPBHVSA-N 478.644 2.314 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCNC(=O)C(C)(C)C 1740547845 BLVHNPFLYYHOLA-SJORKVTESA-N 462.595 2.207 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@](C)(O)c1cc(C)oc1C)[C@@H]1CCS(=O)(=O)C1 1740620183 CDHJVBNLWOTMSD-VGOFRKELSA-N 457.556 2.017 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCCOC)[C@@H]1CCS(=O)(=O)C1 1740627725 JYGGSFVKVZRVLD-GUDVDZBRSA-N 452.621 2.250 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1cnn(CCOC)c1 1740669131 NVLJSFHJKBFXOT-UHFFFAOYSA-N 460.542 2.026 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cnn(C)c1C 1740676705 KORDUBRVRKJNMA-GOSISDBHSA-N 456.547 2.049 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCN2CCC[C@H](C)C2)CC1 1740690187 PCDHHLOCRQPIRE-FQEVSTJZSA-N 484.048 2.349 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2C[C@@H](C)NC(=O)OC(C)(C)C)CC1 1740692318 ICLDNOLWTXAJFM-QGZVFWFLSA-N 468.558 2.342 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)CCS(C)(=O)=O 1740756266 GOIATDLTHHIUTB-HNAYVOBHSA-N 472.571 2.056 30 10 JEEE C=CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)NCC)CC1)c1ccccc1 1740853348 BKKQBVONADUPEN-UYAOXDASSA-N 489.646 2.100 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc(Cc2cccnc2)n1C[C@]1(O)CCS(=O)(=O)C1 1740920914 XPYBYRCGBFLZFZ-HSZRJFAPSA-N 471.558 2.145 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1740989549 QIUGYTXJSYIYQB-UHFFFAOYSA-N 472.615 2.274 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCc1ccc(N(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 1748811877 NEHFLGUBVSJCGN-HXUWFJFHSA-N 452.584 2.209 30 10 JEEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(CS(C)(=O)=O)cc1 1748900615 IBAYLMUOMIIXCG-UHFFFAOYSA-N 495.630 2.325 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2Cc2nccn2C(F)F)CC1 1748980083 YLHCFMXOISOVQD-UHFFFAOYSA-N 457.485 2.357 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1nc2ccccc2s1 1749193749 OWSINPCUIYKULK-INIZCTEOSA-N 462.601 2.433 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cccnc2OCCC)CC1 1749342436 FPQCLGKTQOHCFI-FQEVSTJZSA-N 490.630 2.246 30 10 JEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 1749457309 JDQHLJDIVMKHIA-HZPDHXFCSA-N 466.526 2.321 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1749653171 XHDIHEQDQSGFAI-HXUWFJFHSA-N 479.379 2.112 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1749701691 XOUWNLSTEZXKBN-HKUYNNGSSA-N 491.614 2.025 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)CC1COC(C)(C)OC1 1749724534 KXCTXCZFDDMCET-UHFFFAOYSA-N 459.572 2.253 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(C)=C(C)C1 1749724993 PDTXCBQBHFPCMW-UHFFFAOYSA-N 464.613 2.496 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N(C)[C@@H]1CCCN(Cc2ccccc2)C1 1749730653 MCXUTIRSKLDNHF-OAQYLSRUSA-N 481.626 2.437 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCN(c3ccc(C)cc3)CC2)nnc1[C@@]1(OCC)CCOC1 1749740166 RMKURHWUUYIHDE-XMMPIXPASA-N 489.642 2.166 30 10 JEEE C#CCN(c1nnc(-c2ccccc2F)n1CCC(=O)NC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1760185389 WNHIPDNPZWSJKW-MRXNPFEDSA-N 461.563 2.016 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@@H]1CC(F)(F)CO1)[C@H]1CCS(=O)(=O)C1 1760185532 YVESVWCOSUXXFE-IRXDYDNUSA-N 450.511 2.304 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCOc1cc(C)cc(C)c1)[C@H]1CCS(=O)(=O)C1 1760189960 SMHGZDBCVQUDNM-FQEVSTJZSA-N 468.583 2.001 30 10 JEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCC1CCOCC1 1760196554 PDSZTKOGDMEKML-UHFFFAOYSA-N 454.600 2.436 30 10 JEEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCNC(=O)c1cccc(C)c1 1760231937 MKSFCAWBLGTZBJ-UHFFFAOYSA-N 479.610 2.436 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC2(N(C)C)CCCC2)CC1 1760265772 IZHCRMAOWPUWGQ-AREMUKBSSA-N 486.661 2.159 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCN(c2ccccc2OC)C1 1760288630 HOLWWVZCGRNQIA-KHCICDEESA-N 486.642 2.416 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](COCC)C1 1760412861 SXDVQMNEUFAOSS-RTBURBONSA-N 469.652 2.466 30 10 JEEE C=CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](N2CCCC2=O)C1)c1ccccc1 1760418330 QRUCNJOGZGNQJA-HMXCVIKNSA-N 486.642 2.449 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC1(C)C 1760501066 GBLAPMLHMZIMDH-MJGOQNOKSA-N 463.604 2.485 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1760526178 GUMJFOBWJSYPEX-SFHVURJKSA-N 475.615 2.214 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCCS(=O)(=O)c2ccccc2)C1 1760534435 YJCARJVPYZKQEA-IBGZPJMESA-N 473.599 2.159 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1760554234 WOXGGWJHAFQYIY-GOSISDBHSA-N 461.588 2.024 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCCN(c2nccc(OCC)n2)CC1 1760555654 KBQUOQNKUCNBJL-UHFFFAOYSA-N 475.619 2.052 30 10 JEEE C=CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1760561287 WGVLKXISBUWANS-OAQYLSRUSA-N 463.629 2.230 30 10 JEEE C[C@@]1(C#N)CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCNc2nccc(C(F)(F)F)n2)C1 1761544291 AHTVSWYOCNNDRW-KUHUBIRLSA-N 498.535 2.231 30 10 JEEE CCC[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1)OC 1765573719 DRYISUCOOIYPRX-FGZHOGPDSA-N 486.642 2.189 30 10 JEEE CN(CCN1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1CCNC(=O)c1cccs1 1768939488 FLYNABMSMWTBOD-UHFFFAOYSA-N 465.583 2.077 30 10 JEEE C[C@H]1CN(CCN(C)c2nnc(-c3ccc(C#N)cc3)n2CC2(CS(C)(=O)=O)CC2)C[C@@H](C)O1 1771504100 HRBUAMNLAFHOSK-KDURUIRLSA-N 486.642 2.187 30 10 JEEE CC[C@@](C)(NC(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1)C(=O)Nc1cccc(C#N)c1 1866594467 VNDIUWYFYYHTHM-XMMPIXPASA-N 483.594 2.032 30 10 JEEE N#Cc1nnn(Cc2cc(Cl)cc3c2OCOC3)c1NC(=O)CNC(=O)c1ccccc1 1870110558 XLZWSZVLVJQIHD-UHFFFAOYSA-N 452.858 2.086 30 10 JEEE COC(=O)COc1cn(CCN2CCOCC2)c(CSc2nc(C)c(C)c(C)c2C#N)cc1=O 1870264193 ZDFRAQLVPANZLP-UHFFFAOYSA-N 486.594 2.217 30 10 JEEE C=CCn1cc(OCC(=O)OCCOc2ccccc2)c(=O)cc1CN1CCC(CO)CC1 1870328862 SKWWLZHASMNGJB-UHFFFAOYSA-N 456.539 2.240 30 10 JEEE COC(=O)[C@H](CC(=O)N(C)c1cccc(B2OC(C)(C)C(C)(C)O2)c1)NC(=O)OC(C)(C)C 2180981308 SLWGVHRRMXBTQG-KRWDZBQOSA-N 462.352 2.405 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCO[C@@H]1C(=O)NCCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2180983207 AYANQMUSCTZBMY-OALUTQOASA-N 460.380 2.327 30 10 JEEE CO[C@]1(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CCCN(C(=O)OC(C)(C)C)C1 2180984942 LYOKFWAMQYYARW-JOCHJYFZSA-N 462.356 2.130 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2255749383 SIIZYIFTWWZUSL-RBZFPXEDSA-N 470.422 2.335 30 10 JEEE C=C(CS(=O)(=O)N1CCO[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2255803760 SXRCDBRVEOZDCC-HOTGVXAUSA-N 460.402 2.118 30 10 JEEE C[C@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2256618115 OPKVGGSTIWRECF-WOSRLPQWSA-N 454.398 2.499 30 10 JEEE CC(C)(C)OC(=O)NCCn1cc(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)cn1 2267161287 ZCEHWGUNAMKZNA-UHFFFAOYSA-N 463.369 2.416 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](CNC(=O)c2ccsc2B2OC(C)(C)C(C)(C)O2)C[C@H]1O 2267162881 SLSFQSDHMJAZCB-NUEKZKHPSA-N 466.409 2.441 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]1NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2267363610 LKRJNCDHMLGUCJ-SJORKVTESA-N 470.372 2.459 30 10 JEEE CN(C(=O)OC(C)(C)C)[C@H]1CCN(C(=O)c2nn(C)c(Cl)c2B2OC(C)(C)C(C)(C)O2)C1 2267501445 YFTTUEBQCZVZAD-ZDUSSCGKSA-N 468.791 2.454 30 10 JEEE CC1(C)OB(c2cnc(C(=O)NC3CC4(C3)C[C@H]4NC(=O)OCc3ccccc3)nc2)OC1(C)C 2267542165 NSFLSTGBIRRQSZ-FAFRJYIDSA-N 478.358 2.353 30 10 JEEE COCCN(CCNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)OC(C)(C)C 2267717630 HDMHYVFVNAXBJE-UHFFFAOYSA-N 490.453 2.209 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1[C@H](C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C1(F)F 2268641680 BYISDPCVOGTPEJ-BXUZGUMPSA-N 473.351 2.465 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)C[C@@]2(C)C1 2281977830 UWXRXUXCWINSOX-NPGVVQFXSA-N 460.384 2.474 30 10 JEEE Cc1c(C(=O)NCC2=CCN(C(=O)OC(C)(C)C)CC2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281986032 PPLVOIUSJJZARA-UHFFFAOYSA-N 460.384 2.325 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCOC[C@@H]1NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2281997318 ZVTUIASKUQCMJU-HOTGVXAUSA-N 481.786 2.446 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(CC2CC2)C2CN(C(=O)OC(C)(C)C)C2)n1 2282038190 FLRONZIHSBLYNU-UHFFFAOYSA-N 460.384 2.191 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H](CNC(=O)OC(C)(C)C)C(C)(C)C1 2282537303 OJJOKTZSYBLLRA-OAHLLOKOSA-N 462.400 2.342 30 10 JEEE Cc1c(C(=O)NC2[C@H]3C[C@H]2CN(Cc2ccccc2)C3)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282588302 UEPNHBDFTLUGOI-OALUTQOASA-N 450.392 2.278 30 10 JEEE CC1(C)OB(c2cnc(C(=O)N[C@H]3CN(Cc4ccccc4)C[C@@H]3C(F)F)nc2)OC1(C)C 2282615569 PTTJAUFJEVJHCR-ROUUACIJSA-N 458.318 2.271 30 10 JEEE CC(C)(C)OC(=O)NC1[C@H]2CN(S(=O)(=O)Cc3ccccc3B3OC(C)(C)C(C)(C)O3)C[C@H]12 2282839726 IBYJQUCDEOYMKZ-IRXDYDNUSA-N 478.420 2.271 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CCc2sc(B3OC(C)(C)C(C)(C)O3)cc2C1 2283971029 NVRMSFQFAYPNFR-CVEARBPZSA-N 478.420 2.302 30 10 JEEE COc1cc(C=Nn2c(S)nnc2CNC(C)=O)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 2321943017 JTHMRTLKHKZVJS-UHFFFAOYSA-N 470.467 2.221 30 10 JEEE COc1cc(Br)cc(C=NNc2cnn([C@@H]3CCS(=O)(=O)C3)c(=O)c2Cl)c1O 2322615698 MMWGOYSXHZDPSJ-LLVKDONJSA-N 491.751 2.179 30 10 JEEE COc1ccc(CCc2nnc(SCC(N)=O)n2N=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 2328574232 FTPHBIKDLDFAGU-UHFFFAOYSA-N 498.521 2.211 30 10 JEEE Cc1nsc(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 2359266269 MZJUOZKPGRCJOC-QLFBSQMISA-N 479.408 2.115 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@]12CC[C@@H]1CN(C(=O)OC(C)(C)C)C2 2362348464 RNIAZLNHVMZACN-CMJOXMDJSA-N 460.384 2.096 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC(F)(F)[C@](C)(NC(=O)OC(C)(C)C)C1 2362355607 ARQRSPKCJCEHMS-HXUWFJFHSA-N 470.326 2.094 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H](C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)n1C 2362487021 LVDRDNOQKBUBPH-HOCLYGCPSA-N 462.400 2.403 30 10 JEEE COc1[nH]c(=NC[C@H]2COCCN(C(=O)OC(C)(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2365346703 XTQARWLDWOJTEV-MRXNPFEDSA-N 463.384 2.107 30 10 JEEE CC(C)(C)OC(=O)N(CCO)CCC(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2368592122 ZSQLWFXQSOAMBP-UHFFFAOYSA-N 466.359 2.361 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)N2CC[C@H]1C2 2368748732 WFHVCXOTHSUVRB-HOTGVXAUSA-N 477.436 2.471 30 10 JEEE N#Cc1ccc(CN2CCCN(S(=O)(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)CC2)cc1 10762620 VJAMGIVTUKGONA-UHFFFAOYSA-N 488.635 2.239 30 10 JEEE COC(=O)c1ccc(/C=N/Nc2nnc(SCC(=O)Nc3ccc(C(C)=O)cc3)n2N)cc1 20806108 OHYTWYRXHMQRIC-FOKLQQMPSA-N 467.511 2.158 30 10 JEEE COc1ccccc1CNC(=O)CSc1n[nH]c(N/N=C/c2cc([N+](=O)[O-])ccc2O)n1 58997393 KKVHLGOIIJMZMM-UFFVCSGVSA-N 457.472 2.282 30 10 JEEE COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccco2)c(OC)c1 102756694 UKOINRJAUFSZAO-AGGMBTAESA-N 456.495 2.441 30 10 JEEE N#CCC(=O)Nc1ccc(CNC(=O)CN2C(=O)c3ccc(Br)cc3C2=O)cc1 219656403 NZXBREUBNGVBQP-UHFFFAOYSA-N 455.268 2.214 30 10 JEEE C#CCn1c(=NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)sc2cc(NC(C)=O)ccc21 254823144 WESKKGMBESMFLY-UHFFFAOYSA-N 456.549 2.286 30 10 JEEE N#CC(C(=O)Nc1ccccc1)=c1sc(=Cc2ccccc2)c(=O)n1-c1ccc(C(N)=O)cc1 608827939 AEUGLXWNVYNUCB-UHFFFAOYSA-N 466.522 2.140 30 10 JEEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)CCn1c(=O)nc(O)c2ccccc21 918919151 DBNQCVBTHKVIGW-MRXNPFEDSA-N 464.478 2.379 30 10 JEEE Nn1c(NN=Cc2cc(Cl)ccc2O)nnc1SCC(=O)Nc1cccc([N+](=O)[O-])c1 1084054225 DFPZDOQFQSPSNI-UHFFFAOYSA-N 462.879 2.436 30 10 JEEE C=CCn1c(S)nc2cc(C(=O)N[C@H](C(=O)OCc3ccccc3)[C@H](C)O)ccc2c1=O 1141336815 UVJSQIXRNONZEG-LIRRHRJNSA-N 453.520 2.094 30 10 JEEE C=CCOC[C@@H](NC(=O)c1cccc(NS(=O)(=O)c2cc(F)ccc2C)c1)C(=O)OC 1183284986 KSKKHHXXHYKBRC-GOSISDBHSA-N 450.488 2.409 30 10 JEEE C=CCCCCCCNC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 1248565376 BGFXPYTYMUSNTL-UHFFFAOYSA-N 450.561 2.170 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@H]1CCCS(=O)(=O)C1 1286275759 TXRQLOYGDLJLNG-JKSUJKDBSA-N 462.572 2.254 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2CCN2CCN(C)C(C)(C)C2)c1 1286310748 YWFYCSPGEXYWGE-UHFFFAOYSA-N 488.640 2.366 30 10 JEEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(c2cccnn2)CC1 1286318141 YFDLVIADMZHCDQ-UHFFFAOYSA-N 465.583 2.269 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@@](C)(O)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1286380422 IEXNOVHQIVSCSU-HYBUGGRVSA-N 493.674 2.155 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CCc1cccs1)[C@@H]1CCS(=O)(=O)C1 1286384536 RIQGJEIUJHQXMP-GCJKJVERSA-N 478.640 2.250 30 10 JEEE C#CCN(c1nnc([C@@H](C)CC)n1CCCN1CCN(c2ccncc2)CC1)[C@@H]1CCS(=O)(=O)C1 1286386275 XUFIWMREZRBLBY-JTHBVZDNSA-N 499.685 2.026 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCCN1CC)[C@H]1CCS(=O)(=O)C1 1286387342 CSWHNWKQBLIEBY-YADHBBJMSA-N 466.611 2.318 30 10 JEEE C#CCN1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCNC(=O)C(C)(C)C)CC1 1286477371 YYDIJKFQCQKPSP-UHFFFAOYSA-N 460.586 2.048 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2Cc2cccc(N(C)C)c2)CC1 1286491451 SAOOSHKDSCPGNA-UHFFFAOYSA-N 457.582 2.344 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(Nc2cccnn2)CC1 1286546650 KRQNKTFPFDRRIE-XLIONFOSSA-N 454.579 2.268 30 10 JEEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(c2nccs2)CC1 1286687150 GVXRPEMHZBWOEE-GOSISDBHSA-N 495.675 2.141 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)O[C@H](c2ccccc2)C1 1286814202 NEDXTOARJAPRNT-ICSRJNTNSA-N 496.593 2.493 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 1286820658 OTTOWRXQHOKQMM-RTBURBONSA-N 481.663 2.499 30 10 JEEE CCN1CCN(C[C@@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N(C)C[C@H]2CCN(C(C)=O)C2)CC1 1296183855 HFGFUSUEIYVTLF-ZJSXRUAMSA-N 492.672 2.395 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H](C)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1300483250 JVBCGFNYZBFWMV-FXAWDEMLSA-N 474.587 2.210 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCN1C[C@H](C)O[C@@H](C)C1 1300532498 XDVYCRYRAKRTON-OALUTQOASA-N 459.554 2.166 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccccc1OC)N1CCCC1 1300537465 HKWUCIAASYDYJM-UNMCSNQZSA-N 481.622 2.099 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C1CCN(CCC)CC1 1300886047 VIWJESNGCGYMIT-DYXWJJEUSA-N 465.664 2.472 30 10 JEEE C=CCCCCn1c(-c2ccccc2F)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1301177967 BUPVTVZQKDAAEC-UHFFFAOYSA-N 456.566 2.421 30 10 JEEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(N2CCC(OC)CC2)CCCC1 1301295770 ZUFSMQINNZJEIL-SFHVURJKSA-N 451.637 2.226 30 10 JEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2ccc(Cl)cc2)C1 1301458069 NDGGFVRCBLLNND-MSOLQXFVSA-N 467.979 2.028 30 10 JEEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 1301468668 IWHJALYJBKHCAC-RTBURBONSA-N 485.658 2.273 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CC[C@]2(CCOC2)C1 1301593468 OCNKOMUHJISIDK-NRFANRHFSA-N 450.536 2.214 30 10 JEEE CC(C)OC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(C(N)=O)CCCC2)CCO1 1303530703 GWIUQTZPRGLGPQ-FQEVSTJZSA-N 452.559 2.493 30 10 JEEE C#C[C@H]1CCCCN1C(=O)c1cc(Br)cc(S(=O)(=O)N2CCOCC2)c1F 1304829246 KJXOASLOUNBDIH-AWEZNQCLSA-N 459.337 2.237 30 10 JEEE CCN(C)C(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1313556998 AOTLUEWODRDSTJ-LJQANCHMSA-N 489.584 2.021 30 10 JEEE COc1cc(OC)c(CCn2c(-c3cnccn3)nnc2N2CC[C@](F)(C#N)C2)c(OC)c1 1315338895 AQNLJYUMMVCSLF-QFIPXVFZSA-N 453.478 2.446 30 10 JEEE N#Cc1ccc(OCc2nnc(N3CCNC(=O)C3)n2Cc2ccnc(OCC(F)(F)F)c2)cc1 1316533211 HULQKSJXJNNJFN-UHFFFAOYSA-N 487.442 2.049 30 10 JEEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC1(C(=O)NCC)CCC1 1358895073 CBZZJNQSUMGRBX-QFIPXVFZSA-N 477.657 2.407 30 10 JEEE C#CCN(C)c1nnc(COc2ccc(C)cc2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1358952935 DMSOYIVKFWMARY-CTNGQTDRSA-N 457.600 2.439 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@](C)(O)[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1358964794 HOCUDLDITLTSEA-FPDPHYFHSA-N 465.645 2.058 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC[C@H](OC)C(F)(F)F 1358972052 RFPXQXNUCZTHQJ-SFHVURJKSA-N 483.516 2.236 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC2=CCCOC2)CC1 1359040037 FYSKOKOGMCOFER-BGYRXZFFSA-N 456.591 2.151 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2CCCS(=O)(=O)c2ccccc2)CC1 1359041456 WYPQTOUTKRHEET-UHFFFAOYSA-N 457.600 2.231 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@@H](C)CN2CCCCC2)CC1 1359042962 AQZZFKQOTNSVSI-FQEVSTJZSA-N 451.619 2.371 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2C[C@H](C)O[C@H](C)C2)CC1 1359043019 DBTWAIXCNUGTIT-OYRHEFFESA-N 489.624 2.282 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2CCN2CCOCC2(C)C)CC1 1359043556 YRMUTPWYLMSENB-UHFFFAOYSA-N 468.577 2.161 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(Nc2cccnn2)CC1 1359183742 SKFJUONYPRGVNG-MRXNPFEDSA-N 462.624 2.362 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1359328947 TVPZWPHHNSCCPB-IPMKNSEASA-N 461.544 2.173 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1359331797 IJRVXLSERRUQDK-AWEZNQCLSA-N 474.509 2.356 30 10 JEEE C=CCSCCn1c(-c2ccccc2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1359339332 ASQNDGONQFQRMY-FQEVSTJZSA-N 477.656 2.495 30 10 JEEE C=CCSCCn1c(Nc2cnn([C@H]3CC3(F)F)c2)nnc1[C@H]1CN(S(C)(=O)=O)CCO1 1359346434 LHMVQPJBCLIINU-CABCVRRESA-N 489.574 2.050 30 10 JEEE CC(C)(C)[S@](=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1359587719 ABMJXHOAAJGDPE-PGUFJCEWSA-N 497.669 2.108 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2C[C@@H](OC(C)(C)C)[C@H]2n2cccn2)s1 1449726693 NVHFUWIUCXAICW-MDZRGWNJSA-N 452.602 2.265 30 10 JEEE N#Cc1ccc(N2CCN(C(=O)Nc3ccccc3S(=O)(=O)N3CCCCC3)CC2)nc1 1476064422 AUPPKSFJTPKMHJ-UHFFFAOYSA-N 454.556 2.482 30 10 JEEE COC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCOCC2(C)C)CC1 1503862416 GUMQJSFTMQPNAK-UHFFFAOYSA-N 452.559 2.317 30 10 JEEE COc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2Cc2ncn(C)n2)cc1Br 1504184259 GVICOBATMOLHJP-SFHVURJKSA-N 461.299 2.335 30 10 JEEE CS(=O)(=O)c1cccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCC(=O)N2CCCCC2)c1 1505121043 DIJCFJAQWQKCED-JOCHJYFZSA-N 474.562 2.193 30 10 JEEE C#CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1507572876 ZVSBOQSCWIQKMP-FQEVSTJZSA-N 453.568 2.187 30 10 JEEE C#CCCCn1c(CSc2ccccc2OC)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1507599036 KAQZSHJFFVSYFE-UHFFFAOYSA-N 484.626 2.166 30 10 JEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1C[C@H]1CC=CCO1)[C@H]1CCS(=O)(=O)C1 1507634644 OKXYGDRPMKPVDW-VQTJNVASSA-N 460.987 2.494 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2C[C@]2(O)CCO[C@H]2C)CC1 1507720900 JTPYDVYJSJCEBN-KSFYIVLOSA-N 490.402 2.011 30 10 JEEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1507839495 SGPJZPHLCDTUJF-LJQANCHMSA-N 475.615 2.246 30 10 JEEE C=C(Cl)Cn1c(Cc2csc(C)n2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1507868613 CFLFQLBYIBAGQY-CQSZACIVSA-N 450.012 2.175 30 10 JEEE C=CCCOCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1507959123 NAOLHPCAWZDJDN-IBGZPJMESA-N 483.529 2.213 30 10 JEEE C=CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1CCN1CCN(C)C(C)(C)C1 1508039506 XVRVOTQAVUZJGX-UHFFFAOYSA-N 456.591 2.339 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CCC[C@H]1c1nncn1C 1508074268 RGAOJXPVZZMQCR-INIZCTEOSA-N 471.363 2.480 30 10 JEEE C=CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)CC[C@@H]2C1 1508160754 ITOAEYGXIRVOHJ-QZTJIDSGSA-N 492.646 2.317 30 10 JEEE C=CCSCCn1c(N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1508167272 HDGLYSVEAINTEI-PKTZIBPZSA-N 492.646 2.052 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1nc(C(C)(C)C)cs1 1508410768 GABQRTMHMJSXGL-KGLIPLIRSA-N 453.638 2.481 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@H]1CCC[C@@H]1OC 1513399971 GTIBBCDUOKOHBF-UEXGIBASSA-N 495.632 2.388 30 10 JEEE COc1cc(C)cc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3cc(C#N)ccn3)CC2)c1 1517939271 AKEOVBGULPZZPZ-UHFFFAOYSA-N 474.569 2.375 30 10 JEEE CS[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1519807107 CGMBOMNMBCCWOV-AEFFLSMTSA-N 478.644 2.246 30 10 JEEE N#Cc1ccc(C2=CCN(c3nnc([C@@H]4CCC(=O)N4)n3CC(=O)NCC(F)(F)F)CC2)cc1 1521082279 FDELCUROLWNLNQ-KRWDZBQOSA-N 473.459 2.073 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CN(Cc2ccccc2)CCO1 1539037690 IGJRTALBTYAUKE-PNJWGLBASA-N 453.587 2.361 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1CCCOC[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1539219987 PAUGLARIWADQCQ-MOPGFXCFSA-N 452.621 2.079 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1CC1(C)CCOCC1)[C@H]1CCS(=O)(=O)C1 1539229964 JQNNGCXXUCSRAC-SFHVURJKSA-N 476.574 2.440 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCC[C@@H](O)C1 1539266649 RICJLVXDEHDDQK-ZCNNSNEGSA-N 457.575 2.210 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(N2CCSCC2)CCCCC1 1539296137 MPMGFWTXYWITGX-FQEVSTJZSA-N 492.715 2.103 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@](C)(O)C2CCCCC2)CC1 1539480636 DBDUWOSSBFTTLF-CPJSRVTESA-N 457.619 2.469 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCCN(CC)C(=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1539639643 AOQJNDSYBBGWOE-NHCICSSKSA-N 461.607 2.359 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2OC)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1539643718 XMAYJWNWCWYDTP-PLOUGOBLSA-N 486.569 2.207 30 10 JEEE C=C(Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOC(C)C)CC1)c1ccccc1 1539766543 AATZPKVWEBGQPC-JOCHJYFZSA-N 473.643 2.441 30 10 JEEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1539962996 IFDHCTCTWVPIRJ-ICSRJNTNSA-N 457.623 2.155 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1CC[C@@H](N2CCCC2=O)C1 1540875432 LPLXTDVKHZBSDK-QGZVFWFLSA-N 470.599 2.082 30 10 JEEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1540913121 ISUMCUXMDQWPNG-PMACEKPBSA-N 486.690 2.224 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)C[C@@H](C)C#N)n1C[C@@H]1C[C@H](F)CN1Cc1cccs1 1541105119 FCIPBIYCVAIBEV-QAETUUGQSA-N 483.639 2.158 30 10 JEEE COCCNC(=O)[C@@H]1CN(C(=O)COC)CC12CCN(c1ccc(C#N)c(C(F)(F)F)c1)CC2 1548376005 DBCJRHJYKZPEES-IBGZPJMESA-N 482.503 2.031 30 10 JEEE CNC(=O)[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CC12CCN(C(=O)c1ccn(C)n1)CC2 1548378128 VHRPSNRUTOKNKI-SFHVURJKSA-N 474.487 2.415 30 10 JEEE CN(C)S(=O)(=O)N1CC2(CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)C[C@@H]1C(=O)NC1CC1 1548379361 BBEBSHIDTTZTJA-LJQANCHMSA-N 499.559 2.323 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2C[C@H](N2CCOCC2)C(F)(F)F)c1 1587697011 HIZZZXAKFNEXJV-IBGZPJMESA-N 494.518 2.134 30 10 JEEE C#CCCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(S(C)(=O)=O)CC1 1587755283 XJNIGZBNYXOXEZ-UHFFFAOYSA-N 454.556 2.411 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC1(N(C)C)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1588069042 FWBJCXIBHMWVSR-OAQYLSRUSA-N 487.674 2.031 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1Cc1ccc(OC)nc1OC 1588646352 IYYIRRYITYSVDF-HXUWFJFHSA-N 465.510 2.337 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@H](C(C)C)N2CCOCC2)CC1 1588763202 SVEJLFZTPRLTBV-HSZRJFAPSA-N 452.603 2.066 30 10 JEEE C#CCN1CCN(c2nnc(Cc3cn4ccccc4n3)n2CC(F)(F)Br)CC1 1588848443 FWUDVCZHMJOGNN-UHFFFAOYSA-N 464.318 2.260 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](CC)c3ccccc3)n2C[C@]2(C)CN(C)C2=O)CC1 1588890934 IVKVMCZLRDJPSN-RLWLMLJZSA-N 462.598 2.264 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CCN(C)CC(F)(F)F)CC1 1588899242 NVZHXPBWDXBXQU-UHFFFAOYSA-N 452.481 2.306 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CC(=O)Nc2c(C)cccc2C)CC1 1588969313 ZXERGWFZFCGYKQ-HXUWFJFHSA-N 464.570 2.351 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C)cc2)nnc1N1CCN(C(=O)COC)CC1 1589568504 JYMAZHBQSYZRLP-YKSBVNFPSA-N 469.586 2.442 30 10 JEEE C=CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1594703437 KDUYDCOYTPFYEE-UHFFFAOYSA-N 454.531 2.449 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1595576880 AKSYQJODGRURJC-JOCHJYFZSA-N 493.612 2.495 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CC(=O)N(C)[C@H](C)C1 1595576984 FEOKWCNEAHVKEF-GOSISDBHSA-N 454.575 2.258 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 1595784104 CNKWRNDUDMEOHN-GOSISDBHSA-N 474.631 2.349 30 10 JEEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccsc1 1595883737 AHLPMJKBWLQKDQ-INIZCTEOSA-N 457.647 2.228 30 10 JEEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1ccco1 1595883977 DXASRCSENLWHKP-WMZOPIPTSA-N 467.617 2.465 30 10 JEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C2CN(C(=O)OC(C)(C)C)C2)CC1 1607394503 KSBVVUMAGVAQQJ-GOSISDBHSA-N 450.580 2.057 30 10 JEEE CC#CC[C@@H](CO)NC(=O)c1cccc(NC(=O)C[C@@H]2SC(N3CCCCC3)=NC2=O)c1 1639839687 DQHCZEIUKGCICY-OALUTQOASA-N 456.568 2.003 30 10 JEEE C#Cc1cccc(NC(=O)NC(=O)CSc2nnc(-c3cccs3)n2CCC(N)=O)c1 1651745969 KKDLKNMIZUCFFG-UHFFFAOYSA-N 454.537 2.304 30 10 JEEE C=CCN([C@H](Cc1ccccc1)C(=O)OCC)S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C 1662794177 WBKZNDOBCSCSKD-OAQYLSRUSA-N 457.552 2.228 30 10 JEEE C[C@@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)Cc1cc(F)ccc1Br 1668035480 CDFKQCAZBDSCPA-GFCCVEGCSA-N 454.325 2.290 30 10 JEEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)n1 1668983719 OJYQHNCPHVRIBU-UHFFFAOYSA-N 457.306 2.024 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCN2CCCCC2)c1 1689871693 BTJXJEFJYIWNNL-OAQYLSRUSA-N 498.653 2.112 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1690006272 MDBPQABQNWJKAK-FPOVZHCZSA-N 482.566 2.130 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)c1nc(-c2ccccc2)no1 1690092637 PGXDEBGNGWTBLC-GOSISDBHSA-N 463.542 2.454 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2CCCCS2)CC1 1690154775 ZEVYFMLPODFEOT-UFYCRDLUSA-N 461.632 2.254 30 10 JEEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2cc(Cl)ccc2C1 1690508665 MVXLJRXSKLXEGZ-HXUWFJFHSA-N 496.033 2.420 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C)(c2ccc(C)cc2)CC1 1690670456 BUOUFBVDDSXDNB-IBGZPJMESA-N 471.627 2.349 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2CC)nnc1N1CCOC2(CCOCC2)C1 1690729128 HGJKASXZNOFZKI-UHFFFAOYSA-N 490.626 2.406 30 10 JEEE Cc1ccc(S(=O)(=O)NCCn2c(Cc3ccncc3)nnc2N(C)[C@H](C)CC#N)s1 1693157513 CHEXYAWPJYULNF-OAHLLOKOSA-N 459.601 2.351 30 10 JEEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(C(C)(C)C)n1Cc1ncccc1N(C)C 1693746021 HVJTXSTWPJIMSL-KRWDZBQOSA-N 460.590 2.462 30 10 JEEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2COCCO2)CCN1CC(F)(F)F 1693782928 GFRYZBVCXCKESU-CRAIPNDOSA-N 450.465 2.305 30 10 JEEE CCN1CCN(C[C@@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCCOCC2)CC1 1695903981 CUWIIBZNXCKRBK-OAQYLSRUSA-N 467.618 2.229 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1cccc(C(OC)OC)c1)[C@H]1CCS(=O)(=O)C1 1705568924 AQPAMRXDGKEHIN-QFIPXVFZSA-N 495.605 2.230 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccco1)N1CCCCC1 1705583209 SFZIYFRXCDDXBS-PMACEKPBSA-N 455.584 2.073 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnccn3)n2CC2(O)CCCCCC2)n1 1705631970 TXTHJCNIDMUEPT-UHFFFAOYSA-N 464.574 2.303 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCC[C@H](COC)C1 1705700012 NVEIRTMCDAABLT-YRPNKDGESA-N 452.621 2.414 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H](C)N1CCOCC1 1705712987 OIQXMZDMGTUWRI-IBGZPJMESA-N 476.647 2.319 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1705906891 RUFGBNOSWRCBSS-YADARESESA-N 455.559 2.160 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)ccc2C)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1705938481 ZTFQOVSDGPYVQT-PKOBYXMFSA-N 476.555 2.189 30 10 JEEE CCOc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1CCN1CCOCC1(C)C 1710568355 BEHKFQHDPGRHLQ-IBGZPJMESA-N 470.574 2.095 30 10 JEEE CN(C)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1)c1ccc(F)cc1 1710996274 CTJJGMRMMLQCQH-HGHGUNKESA-N 464.542 2.064 30 10 JEEE C#CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1Cc1nnnn1CC1CC1 1722346454 QXORISDCKYYYEX-UHFFFAOYSA-N 457.336 2.230 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H]1CCCN(C(C)C)C1)[C@H]1CCS(=O)(=O)C1 1722360406 GZAIBQJILVACJE-FPOVZHCZSA-N 456.616 2.087 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ccc(CSC)cc1)[C@H]1CCS(=O)(=O)C1 1722361133 LLIULPUDOBJFBJ-IBGZPJMESA-N 468.608 2.273 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1CCCNC(=O)c1occc1C)[C@@H]1CCS(=O)(=O)C1 1722367772 OFUCZNIFXVDMFT-GOSISDBHSA-N 475.615 2.215 30 10 JEEE C#CCN(c1nnc(COCC)n1Cc1c(F)cccc1N1CCCC1)[C@H]1CCS(=O)(=O)C1 1722369614 CEVXUFTUXKLDCF-SFHVURJKSA-N 475.590 2.229 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCCN1CCCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1722372270 SQXJTRYHOIVVGJ-IFMALSPDSA-N 487.674 2.031 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1CC1(N(C)C)Cc2ccccc2C1 1722419231 UPKCIBSRTRJHKT-UHFFFAOYSA-N 473.581 2.111 30 10 JEEE C#CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CCC[C@H](O)C1 1722423207 ZUYUMANYHZSHFF-MOPGFXCFSA-N 474.631 2.184 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@]2(O)CCC[C@@H]2C)CC1 1722429825 STAXQZKPTNWQJT-CPJSRVTESA-N 450.587 2.454 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCc2ccccc2F)CC1 1722441466 RAHZYWJWCJAKBX-UHFFFAOYSA-N 452.559 2.407 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2nc(C)cc(OCC)n2)CC1 1722493121 FYGLJWPGLBWFHL-CTNGQTDRSA-N 498.632 2.221 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCC[C@H]2CCCCO2)CC1 1722566728 XUAIWVPZHSHLIM-RTBURBONSA-N 453.609 2.117 30 10 JEEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1722584563 UBBTVEWRFLSBFG-FQEVSTJZSA-N 495.738 2.485 30 10 JEEE C=CCCCn1c(CN2CCCC2=O)nnc1N1C[C@@H](C(=O)OC)[C@H](CNC(=O)OC(C)(C)C)C1 1722620547 SEVIJUWUEVGOMS-QZTJIDSGSA-N 490.605 2.117 30 10 JEEE C=CCn1c(-c2ccc(OC)c(Br)c2)nnc1N(C)CC(=O)N1CCOCC1 1722684521 ZSCNMBONBLMZBN-UHFFFAOYSA-N 450.337 2.197 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCCN(C(=O)c2ccccc2F)CC1 1722698036 SPNZLQLNZWBJQK-UHFFFAOYSA-N 465.533 2.077 30 10 JEEE C=CCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCN(C(=O)N(CC)CC)CC2)cc1 1722706140 ORFNDMYZVQYBMV-OAQYLSRUSA-N 481.601 2.426 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCC(C(=O)NC)CC1 1722749677 IPBNOYHEKQKIHC-UHFFFAOYSA-N 451.980 2.162 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2CC2(N(C)C)CCCC2)c1 1740564284 ICSWCNUPXMYRLZ-UHFFFAOYSA-N 477.613 2.331 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCOC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1740621826 ZLJBKUBPLRFVOB-YYWHXJBOSA-N 453.568 2.116 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1ccc(N(C)C)nc1 1740653075 YUXNIKNFQPGZSH-UHFFFAOYSA-N 466.549 2.164 30 10 JEEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C)cc2)C(=O)C1 1740744534 BZNQDEDUDUKUMF-INIZCTEOSA-N 494.415 2.250 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C)[C@H](C)C1 1740759149 AEDGPEXLRNEBLL-UEDWAMCQSA-N 467.636 2.075 30 10 JEEE C=C(C)CN(CC)c1nnc(C(=O)N2CCCC2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1740764265 CIGUFZGPOIFMMZ-UHFFFAOYSA-N 457.579 2.171 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(F)cc1 1740774475 TUUVGWVJQNTONC-IBGZPJMESA-N 451.568 2.395 30 10 JEEE C=C(C)COCCn1c(COc2ccc(OC)cc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1740798091 YPNZVZCTBHRNRW-NQIIRXRSSA-N 455.559 2.421 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cc(-c3ccccc3)no2)C1 1740972638 KSSVNNGFDKIPIM-WMZOPIPTSA-N 472.571 2.373 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC(=O)NCC(F)F)C1 1740985808 MBKJCQHBEHKOIK-XHSDSOJGSA-N 484.548 2.211 30 10 JEEE C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCC(=O)NC(C)(C)C 1741136569 BAFRTJNXANFKFS-HZPDHXFCSA-N 460.604 2.379 30 10 JEEE CCC[C@@H](C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1745196611 GWSFCGFKKKICHD-KNQAVFIVSA-N 493.612 2.197 30 10 JEEE C#CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1748750339 CTHMQTZCWOGUKT-RBUKOAKNSA-N 494.662 2.276 30 10 JEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)Nc2ccccc2)CC1 1748752322 VFGDLYGLFVMBRA-IBGZPJMESA-N 455.584 2.449 30 10 JEEE C#CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1CCS(=O)(=O)CC=C 1748776352 GHMGTLLAQQKHFT-UHFFFAOYSA-N 453.362 2.386 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1748809888 XGCXOIADAOVCSG-NRFANRHFSA-N 452.584 2.339 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1CCN(C)C1CCCC1)[C@@H]1CCS(=O)(=O)C1 1748824932 UDRPOGNEVXUZIJ-HXUWFJFHSA-N 489.617 2.497 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C)Oc2ccc(C)cc2)CC1 1748972670 NNISEKOXKQMCSY-HXUWFJFHSA-N 459.554 2.457 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2ccc(Cl)s2)CC1 1749001535 VTNCMHJVLJSSOH-UHFFFAOYSA-N 475.018 2.438 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCCCn2ccnc2C)CC1 1749010335 QHQJGKIICTUCQK-NRFANRHFSA-N 453.591 2.471 30 10 JEEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCC(N(C)C(=O)OCC)CC1 1749033239 BQKPPTFTEQAOIC-UHFFFAOYSA-N 474.587 2.429 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2CC)n1CCN1CCCS1(=O)=O 1749079113 XWTZCFHDHLGRHC-HSZRJFAPSA-N 457.600 2.447 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)CCC2CCCC2)CC1 1749229906 QQWNWPYDIIFCMC-OAQYLSRUSA-N 493.674 2.392 30 10 JEEE C=CC[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCC(OCC(N)=O)CC1)c1ccccc1 1749377247 PDIWZAFWSLWONI-HXUWFJFHSA-N 466.586 2.345 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@H](N2CCCC2=O)C1 1749651602 YUPILXMTHLIFMI-AEFFLSMTSA-N 456.522 2.061 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1749721626 PLTSCYKEMVJZKM-SJORKVTESA-N 471.624 2.122 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1749721882 WDJDWQNHYPCYEU-XFQAVAEZSA-N 453.609 2.496 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCN(Cc2cscn2)CC1 1749730099 ZHLWGSKPGIYUDK-UHFFFAOYSA-N 488.639 2.333 30 10 JEEE C#CCCCn1c(CCCc2ccccc2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1760157213 IMAPYWMBNDFIEO-HSZRJFAPSA-N 485.654 2.498 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@](C)(O)c1cc(C)oc1C)[C@H]1CCS(=O)(=O)C1 1760189038 GDVKDIINCMKNMR-GBXCKJPGSA-N 483.594 2.008 30 10 JEEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1760351518 IJXOEUXMUOHROF-UHFFFAOYSA-N 491.552 2.186 30 10 JEEE C=C(C)COCCn1c(N2CC[C@](C)(N3CCOCC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1760361577 NJLUYTQRZQLAIJ-ZEQRLZLVSA-N 463.623 2.212 30 10 JEEE C=CCC(C)(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC(=O)N(C)C[C@H]1C 1760408935 JKWZRSFXXVCIRS-QGZVFWFLSA-N 474.631 2.465 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1CCOCC1 1760481166 OUUOAZQZZKBWGV-OAQYLSRUSA-N 473.643 2.484 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1760514986 INGXFAGHVBSMBC-MRXNPFEDSA-N 488.394 2.388 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCC(C)(C)O)C1 1760538169 CEQDMMPTPQAGRX-GOSISDBHSA-N 463.604 2.138 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccn3C)n2CCCN2CCC[C@@H]2C(=O)N(C)C)C1 1760540212 DAQSLTDPNYPTGY-TZIWHRDSSA-N 455.607 2.008 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCC(Cn2ccnn2)CC1 1760556398 CGPBJETXIPRKHE-UHFFFAOYSA-N 469.615 2.286 30 10 JEEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC2(CCCC2)C1 1760566552 WTRNBKNPXJIGBO-QGZVFWFLSA-N 455.650 2.301 30 10 JEEE CO[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1)C(C)C 1768131624 GCKIGGILHKGMDW-FCHUYYIVSA-N 482.585 2.227 30 10 JEEE COc1ccccc1Cc1nnc(N2CCN([C@@H](C)C(=O)Nc3ccc(C#N)cc3)CC2)nc1O 1859429525 DTMABEVSIBKIOJ-KRWDZBQOSA-N 473.537 2.197 30 10 JEEE CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CCCNC=O)ccc1O 1862634552 ZNHCKPGLIOPEEB-NRFANRHFSA-N 468.462 2.234 30 10 JEEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccc2c(c1)OCCO2 1865723087 HKIVRENEMZTJOA-LJQANCHMSA-N 498.580 2.027 30 10 JEEE CC(=O)NCCN1C(=O)c2cccc(OCC(=O)Nc3sc4c(c3C#N)CCCC4)c2C1=O 1865828224 ZNRNSPYWKNSUMJ-UHFFFAOYSA-N 466.519 2.248 30 10 JEEE CC[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(CCCN(C)C)C2=O)C(=O)Nc1ccccc1C#N 1866609921 HJBMSDFLRMODHT-HXUWFJFHSA-N 461.522 2.253 30 10 JEEE CCN(CC)CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)N=C1NS(=O)(=O)c2ccccc21 1869931893 LEUAWVXEZSOEKA-NRFANRHFSA-N 467.595 2.276 30 10 JEEE CCCn1cc(OCC(=O)Nc2sc3c(c2C#N)CCC3)c(=O)cc1CN1CCN(C)CC1 1870323827 IULDCCMPDUITJA-UHFFFAOYSA-N 469.611 2.445 30 10 JEEE C=CCn1cc(OCC(=O)Nc2cccc(C)c2)c(=O)cc1CN1CCN(c2ncccn2)CC1 1870731635 WJEKUONKDHZMHJ-UHFFFAOYSA-N 474.565 2.472 30 10 JEEE C=CCN(CC=C)c1nc(=NC[C@@H]2CCCO2)[nH]c(=Nc2cc(OC)c(OC)c(OC)c2)[nH]1 1871564114 VXKFVIKCCDFLQK-KRWDZBQOSA-N 456.547 2.254 30 10 JEEE CCOc1cc(/C=N/n2c(Cc3ccccc3[N+](=O)[O-])nnc2SCC(N)=O)ccc1O 1874295380 YGLSBFFJKZXHKH-SSDVNMTOSA-N 456.484 2.341 30 10 JEEE C#CC(CO)(CO)NC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C)CC 2245489479 BRHLZSNHIBOHSZ-SBUREZEXSA-N 450.535 2.413 30 10 JEEE C[C@H](CNC(=O)OC(C)(C)C)CNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2247902887 CLELSDDOSQELOC-CYBMUJFWSA-N 460.427 2.486 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2Cl)CO1 2255637411 CQZBTVTZSAXNLF-CYBMUJFWSA-N 453.732 2.315 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@@H]2NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2255954177 UJZAIOGXQWWIFF-IVMMDQJWSA-N 470.422 2.333 30 10 JEEE CC(C)(C)OC(=O)N[C@H](C(=O)N1C[C@H]2[C@H](B3OC(C)(C)C(C)(C)O3)[C@H]2C1)[C@@H](O)C(F)(F)F 2265312179 PUYNSJMTUBCYAH-MQLXINIDSA-N 464.290 2.354 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](NC(=O)c2ccc(Cl)c(B3OC(C)(C)C(C)(C)O3)c2)C1 2266981142 GQPWEMWWLIDCSO-SJORKVTESA-N 466.771 2.349 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](CO)[C@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2267278199 ZNLBKFWGACVLDE-HUUCEWRRSA-N 466.409 2.395 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@H]1CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2267363222 GBDQMHJOPGZDCV-BBRMVZONSA-N 470.372 2.316 30 10 JEEE C[C@@H]1C[C@H](NS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CN1C(=O)OC(C)(C)C 2267377459 IPMMPZLWGOFWEE-ZBFHGGJFSA-N 467.397 2.057 30 10 JEEE C=C(CS(=O)(=O)N1C[C@@H](NC(=O)OC(C)(C)C)C[C@]12CCOC2)B1OC(C)(C)C(C)(C)O1 2267467971 HAXHYWGYMXIXEB-KKSFZXQISA-N 472.413 2.262 30 10 JEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CCNC(=O)C2(B3OC(C)(C)C(C)(C)O3)CC2)C1 2267500226 FNYBKLLCFYXDTG-OAHLLOKOSA-N 472.413 2.153 30 10 JEEE Cc1cc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2O)sc1B1OC(C)(C)C(C)(C)O1 2267602794 RSIPGXXCRGQKGU-GJZGRUSLSA-N 466.409 2.456 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)O 2268642382 SABUKXQHSILTER-SUMWQHHRSA-N 450.341 2.207 30 10 JEEE C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)ccc1F 2268643284 KDGQHVRXKMVBFZ-SUMWQHHRSA-N 452.332 2.015 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2CN(C(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)C[C@@H]21 2281990739 QROFPXZZBYWBQI-YQQAZPJKSA-N 460.384 2.474 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@]2(CCNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2281990758 QZZXJDFEBRKUAH-WNSKOXEYSA-N 460.384 2.476 30 10 JEEE C[C@@H]1CN(C(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)C[C@]1(C)CNC(=O)OC(C)(C)C 2282053793 XNYLPPJOHJMXRD-CMJOXMDJSA-N 462.400 2.342 30 10 JEEE C[C@@H]1CC[C@@H](CNC(=O)C(F)(F)F)N(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cn2C)C1 2282190925 KKNSHYXNGIDXTQ-HIFRSBDPSA-N 457.302 2.244 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C[C@H]1O 2282192033 RSKBSZFZFINLDU-KFKAGJAMSA-N 460.380 2.380 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1COCCN(C(=O)c2c(F)cccc2B2OC(C)(C)C(C)(C)O2)C1 2282468014 OOHMLPCALVTQEN-OAHLLOKOSA-N 464.343 2.491 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@](CO)(NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)c(F)c2)C1 2282480759 LWYVJKITUXDXIN-QHCPKHFHSA-N 464.343 2.227 30 10 JEEE Cc1c(C(=O)N[C@H](C)CC2CN(C(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282543852 QDRRIBHTMUVSBB-CQSZACIVSA-N 462.400 2.403 30 10 JEEE C[C@@H](CNC(=O)c1occc1B1OC(C)(C)C(C)(C)O1)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 2282551693 FMCHUYSVRLGAFC-WNSKOXEYSA-N 464.368 2.317 30 10 JEEE Cc1c(C(=O)N2CCC[C@H]2CN(C)C(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282555249 QJCAKYMAJGTWQI-INIZCTEOSA-N 462.400 2.499 30 10 JEEE Cc1nn(C)c(C(=O)N2[C@H](C)CN(C(=O)OC(C)(C)C)C[C@H]2C)c1B1OC(C)(C)C(C)(C)O1 2282558894 MDXXMDKKJDCALJ-HUUCEWRRSA-N 462.400 2.498 30 10 JEEE Cn1cc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)[C@@H]3CCC[C@H]23)c(B2OC(C)(C)C(C)(C)O2)n1 2282575743 HSLMPQVMNPRFSN-DJIMGWMZSA-N 460.384 2.237 30 10 JEEE Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O 2282680583 PZCRFGBRSNUBAP-SJLPKXTDSA-N 460.380 2.252 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N2Cc3cccc(B4OC(C)(C)C(C)(C)O4)c3C2)C1 2283951143 TUEOAUNRJFGJHZ-LJQANCHMSA-N 458.364 2.464 30 10 JEEE C[C@H](NC(=O)C1=C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C1)c1nscc1B1OC(C)(C)C(C)(C)O1 2284046124 WBLVRJASUXNCIV-RCBQFDQVSA-N 479.408 2.204 30 10 JEEE CO[C@H](C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F)C1CN(C(=O)OC(C)(C)C)C1 2284067145 GSOWPLWFKJMCAM-INIZCTEOSA-N 465.331 2.340 30 10 JEEE CC1(C)OB(c2c[nH]c(C(=O)N3CC[C@@](COCc4ccccc4)(C(=O)O)C3)c2)OC1(C)C 2284384546 HNKLFYNEWAAYCE-XMMPIXPASA-N 454.332 2.448 30 10 JEEE COCCN1C(=O)C(=O)C(=C(O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@@H]1c1ccc(F)cc1 2296167058 QNOFEZWVCRHMIJ-IBGZPJMESA-N 462.499 2.144 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 2315536100 BYUKWIYZTHWMKO-GOSISDBHSA-N 468.363 2.250 30 10 JEEE COc1nc(-n2ccnc2CCN2C(=O)c3ccccc3C2=O)ccc1B1OC(C)(C)C(C)(C)O1 2339825133 PTKOWEZFKQQSRM-UHFFFAOYSA-N 474.326 2.414 30 10 JEEE Cc1c(C(=O)NC[C@@H]2[C@@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)nn(C)c1B1OC(C)(C)C(C)(C)O1 2359263048 IKXYBHLRUPHGQI-BZUAXINKSA-N 460.384 2.013 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC[C@@H]2[C@H]1CCN2C(=O)OC(C)(C)C 2362350684 VDGRBHOQSOZGNM-HZPDHXFCSA-N 460.384 2.333 30 10 JEEE COc1cc(/C=N/Nc2nnc(SCC(=O)Nc3ccccc3)n2N)cc(OC)c1OC 20827101 RHMJGSATEXSOMR-SSDVNMTOSA-N 457.516 2.195 30 10 JEEE CC(C)CSc1nnc(NC(=O)CSc2nnc(N/N=C/c3cccc(O)c3)n2N)s1 20914809 KORMCWVZIWQBHN-FBCYGCLPSA-N 479.617 2.474 30 10 JEEE CC(=O)OC[C@@]12[C@@H](O)C[C@@H](C)[C@]3(C[C@@H](c4ccoc4)OC3=O)[C@H]1CC[C@H](OC(C)=O)[C@]21CO1 238765920 HCSVFKSWVNRERZ-GUVWAJMESA-N 462.495 2.315 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1ccc(S(=O)(=O)C[C@H]2CCCO2)cc1 609438399 MSIKRRZKQLHQKV-OAQYLSRUSA-N 485.562 2.125 30 10 JEEE COc1ccc(C=NNc2nc(SCC(=O)NCc3ccc4c(c3)OCO4)n[nH]2)c(OC)c1 1083947733 FTKAHJVHRWHJBP-UHFFFAOYSA-N 470.511 2.405 30 10 JEEE COC(=O)CS(=O)(=O)Cc1ccc(CNC(=O)c2cc(-c3cccc(C#N)c3)no2)cc1 1266081536 GDLZASAARWHQNR-UHFFFAOYSA-N 453.476 2.231 30 10 JEEE C#CCN(c1nnc([C@H](C)OCCOC)n1Cc1ccc(Cl)cc1F)[C@H]1CCS(=O)(=O)C1 1286383709 DRHYTFDFEWXQNY-YJBOKZPZSA-N 484.981 2.470 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1286385203 LERZVTHYCWBDEY-JKSBSHDWSA-N 464.563 2.345 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H](Cc1ccccc1)OC)[C@H]1CCS(=O)(=O)C1 1286393517 LIONUHPUYIYTFZ-BHIFYINESA-N 472.611 2.057 30 10 JEEE C#CCN(c1nnc(CC2CCCC2)n1Cc1csc(COC)n1)[C@H]1CCS(=O)(=O)C1 1286394386 VSJSKBDBHLKIBB-SFHVURJKSA-N 463.629 2.289 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1CCN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1286397567 SRJRJLKIMXNRET-LJQANCHMSA-N 475.590 2.109 30 10 JEEE C#CCN(CC#CC)c1nnc(Cc2csc(C)n2)n1CC[C@H](C(F)F)N1CCOCC1 1286429392 GCRVJLKMSISDOH-LJQANCHMSA-N 462.570 2.453 30 10 JEEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CCC(=O)NCc2ccccc2)CC1 1286481609 HIWWZPOXPDREFV-UHFFFAOYSA-N 463.611 2.096 30 10 JEEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@H](SCC)C1 1286508519 IDCQFRZQNLZUQL-ROUUACIJSA-N 487.717 2.089 30 10 JEEE C=C(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1286593842 ZSOKIYFLCNOTIF-UHFFFAOYSA-N 473.578 2.137 30 10 JEEE C=CCN(c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCS(=O)(=O)C1)C1CC1 1286738682 ZPMSCJKVWONHBI-AEFFLSMTSA-N 481.619 2.176 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1286815927 CPVHBUOLHCTLTH-INIZCTEOSA-N 462.576 2.044 30 10 JEEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2ccnc(C)n2)CC1 1286834345 FQBMDBQSLSHWKN-UHFFFAOYSA-N 453.620 2.484 30 10 JEEE CC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCN2S(C)(=O)=O)C[C@@H](C)O1 1293637796 HLQLGRTVMZYAGR-MISYRCLQSA-N 488.614 2.156 30 10 JEEE CCN(C[C@@H]1CCCO1)c1nnc(-c2cccc(C#N)c2)n1CCS(=O)(=O)N1CCSCC1 1295742931 ADLFAAFSXDPLFB-FQEVSTJZSA-N 490.655 2.201 30 10 JEEE CCNC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](F)C2)CC1 1296296922 BZSONCBWKKTQMZ-UXHICEINSA-N 469.565 2.125 30 10 JEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H](C(C)C)N1CCCC1 1300440535 ZSGVINPWOAQTBR-NRFANRHFSA-N 458.632 2.385 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1CCCN1C[C@@H](C)C[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1300487178 HHVOYSAUVJGQDT-VWPQPMDRSA-N 470.643 2.335 30 10 JEEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(C)s1)[C@@H]1CCS(=O)(=O)C1 1300503149 AVURTTAHZHTOAT-MRXNPFEDSA-N 489.648 2.315 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1Cc1c(C)nn(C)c1C)[C@H]1CCS(=O)(=O)C1 1300504812 SWTVWTABPXMWRJ-FQEVSTJZSA-N 482.610 2.191 30 10 JEEE C#CCN(CC)c1nnc(-c2cc(F)ccc2Br)n1CCNS(=O)(=O)CC 1300604370 HOOCAJRLEOGUTC-UHFFFAOYSA-N 458.357 2.246 30 10 JEEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1300743201 IWAGAWLAUUVMFL-JTSKRJEESA-N 476.624 2.099 30 10 JEEE C=CCC(C)(C)Cn1c(Cc2ccccn2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1301153731 BGLHDVBUFOBYLE-NRFANRHFSA-N 488.658 2.497 30 10 JEEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1301248940 MRLHWKRMMZKHFW-GOSISDBHSA-N 461.567 2.001 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c(-c2noc3c2COCC3)nnc1N1CCN(C)C(=O)[C@H]1C)C(C)C 1301366420 BLEZXINFTDVJDL-UYAOXDASSA-N 483.617 2.371 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CCN(C(C)=O)C[C@H]1C 1301484886 ORPFOBOLXDIJOM-CQSZACIVSA-N 491.390 2.075 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC[C@@H](CNC(C)=O)C2)nnc1C1(c2ccccc2)CCC1 1301519004 LLOVUQUCVYUQIN-FQEVSTJZSA-N 450.587 2.403 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CC[C@](O)(c2ccccc2F)C1 1301585052 HCLDNEAZFFXKHR-HSZRJFAPSA-N 471.558 2.486 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(Cc2cn3ccccc3n2)CC1 1301588508 GBXZFYRAZSJFSO-UHFFFAOYSA-N 485.658 2.437 30 10 JEEE Cc1ccc(C)c(OCc2nnc(N(C)C[C@@H](C)C#N)n2C[C@H]2CCCN2S(C)(=O)=O)c1 1304281550 BRERTEFCFHBBNS-PKOBYXMFSA-N 460.604 2.494 30 10 JEEE CCN(Cc1cnn(C)c1)c1nnc(COc2ccc(C#N)cc2)n1CC1(S(C)(=O)=O)CCC1 1313755753 ALHLJPVBZQZGNN-UHFFFAOYSA-N 483.598 2.456 30 10 JEEE COc1cc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCNC(=O)c2ccco2)cc(OC)c1OC 1315298257 ASKWZCQCEVQGBN-QHCPKHFHSA-N 484.488 2.436 30 10 JEEE COC[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)N2CCOCC2)C1 1315900625 AIMYMAWQFLTOKQ-TZIWHRDSSA-N 454.575 2.312 30 10 JEEE N#C[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2nccn2C(F)F)CCO1 1316534998 ARUQWJSKKYKTJR-LLVKDONJSA-N 453.251 2.404 30 10 JEEE N#C[C@@H]1CN(c2nnc(-c3cc(F)ccc3Br)n2CC2(O)CCOCC2)CCO1 1316538145 HOTJLAOHSRWGCM-CQSZACIVSA-N 466.311 2.117 30 10 JEEE C#CCO[C@@H](C)C(=O)NCCN1C(=O)S/C(=C\c2ccc(OC(F)F)c(OC)c2)C1=O 1348582039 FYBKHEDOEQEMLA-IEMQHYRPSA-N 454.451 2.487 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cccnc1OC 1358890197 MIZNPNCNBQFPCQ-FUHWJXTLSA-N 456.547 2.496 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@@]1(O)CCS(=O)(=O)C1 1358896413 CSAVOPJQLVKOHC-JPYJTQIMSA-N 460.600 2.296 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCc1csc(C(C)(C)C)n1)[C@H]1CCS(=O)(=O)C1 1358960919 OEGWRTVDANIKFU-SFHVURJKSA-N 487.655 2.302 30 10 JEEE C#CCN(CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1359002843 OTEUGRDWWFRYQH-KRWDZBQOSA-N 453.572 2.076 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1Cc1cc(F)ccc1N1CCOCC1 1359018657 YBVKNEXTPVMGGD-UHFFFAOYSA-N 493.543 2.035 30 10 JEEE C=CCCOCCn1c(-c2cccn2C)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1359224844 FAEGDIFOUGBRCB-NZQKXSOJSA-N 469.634 2.255 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC[C@@H]1CSC 1359298707 JDJLSVQIAIMICY-MRXNPFEDSA-N 467.599 2.309 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 1359302378 FQQUIWWVYYFQTQ-HNNXBMFYSA-N 474.612 2.077 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccccc3CC)n2CC2(O)CCS(=O)(=O)CC2)C1 1359325323 CGBJYNOCXQAMMG-HXUWFJFHSA-N 490.626 2.141 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1359326468 AVZPEQWYPCTDRA-JOCHJYFZSA-N 476.603 2.168 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@H](COC)C1 1359326528 CCKYHFTYMDMHSI-GOSISDBHSA-N 461.588 2.221 30 10 JEEE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCc2ccco2)C1 1359357420 FYNLJQQOGHFXND-LJQANCHMSA-N 461.526 2.031 30 10 JEEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1cccc(OCC(N)=O)c1 1507622746 LWCBMCMETSJKNW-HDICACEKSA-N 468.558 2.031 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2(C(=O)N(C)C)CCCC2)CC1 1507719520 BPBFJHYXLOHZLX-UHFFFAOYSA-N 465.558 2.257 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2CCc2ccc3c(c2)CCO3)CC1 1507733968 PGURSXUPRWPISH-UHFFFAOYSA-N 492.624 2.340 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cc(Br)cn2C)nnc1N1CCN(C(=O)NC)CC1 1507797751 QGSAUDAPPOGCFV-CRAIPNDOSA-N 492.422 2.489 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C2CCCC2)CC1 1507845155 XHNQYGQJBLLCPA-LJQANCHMSA-N 451.637 2.228 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@@H](C(=O)N[C@H](C)CCC)C1 1508079549 YMTOIHSBGKSJRO-IEBWSBKVSA-N 482.585 2.497 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1508095246 UIJFKMDHRHBSFR-BBRMVZONSA-N 457.428 2.454 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCC[C@H](NC(C)=O)C2)nnc1C1(c2ccccc2)CCC1 1508149252 RVHMHNDPTMJJDP-NRFANRHFSA-N 471.627 2.454 30 10 JEEE C[C@](O)(Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](C(N)=O)C1)c1ccsc1 1510240021 HGDPAKKIBMBSLY-SBUREZEXSA-N 466.567 2.400 30 10 JEEE CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1515312867 DNYSTOWJJSOXKV-OAQYLSRUSA-N 478.557 2.001 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CCc1ccccn1)[C@H]1CCS(=O)(=O)C1 1539218828 DXMLFYOSNCYVNC-SFHVURJKSA-N 471.533 2.412 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@]2(OCC)CCOC2)n1CC1(S(C)(=O)=O)CC1 1539385006 TWAUYAXOXCHPLY-QHCPKHFHSA-N 476.574 2.286 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H](C)c2nccs2)CC1 1539459854 PZFPEQOMGWYUCM-INIZCTEOSA-N 455.613 2.285 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CSc3ccccc3OC)n2CC2(O)CC2)CC1 1539489229 JCWFZZORNXCIPZ-UHFFFAOYSA-N 455.584 2.070 30 10 JEEE C=C(C)CN(CC)c1nnc(Cc2cn3ccccc3n2)n1C[C@H]1CCCN1S(C)(=O)=O 1539674503 XWJPBHWHDXJOLO-LJQANCHMSA-N 457.604 2.343 30 10 JEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1539758303 JYLPQMVJUOYKIV-SFHVURJKSA-N 462.595 2.439 30 10 JEEE C=CCOc1ccc(Cn2c(COCC)nnc2N2C[C@H](C)[C@@H](N3CCN(C(C)=O)CC3)C2)cc1 1540878767 HURXQHBOTJCMOQ-RDPSFJRHSA-N 482.629 2.417 30 10 JEEE CC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCN2CCCO)CCO1 1546769150 ADJNIMKIFFFPNV-SFTDATJTSA-N 454.575 2.191 30 10 JEEE CCN1CCCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1547683402 DXNIGXRPHNSGBQ-HSZRJFAPSA-N 478.645 2.338 30 10 JEEE CCO[C@@]1(c2nnc(N3CCN(c4ccc(C#N)cn4)CC3)n2CC(C)(C)COC)CCOC1 1547914563 IAJIIWUJRSGREF-DEOSSOPVSA-N 469.590 2.196 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@H](CC)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1588045888 SNCLIZAJMHYXAZ-VXKWHMMOSA-N 466.611 2.318 30 10 JEEE C#CCN(c1nnc(COCC)n1Cc1ccc(OC)c(Br)c1)[C@@H]1CCS(=O)(=O)C1 1588074035 HPNMWKFLRQFGJP-MRXNPFEDSA-N 497.415 2.261 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)Sc1ccccc1 1588384927 DJFOFRQOGXXVEN-HKUYNNGSSA-N 463.629 2.251 30 10 JEEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@]2(N(C)C)CCSC2)CC1 1588836402 JCFTXHGUVDSOSH-HSZRJFAPSA-N 460.598 2.340 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@H]2CCC[C@@H](O)C2)CC1 1588899601 SQMVMURLHHBJPV-WIYYLYMNSA-N 451.571 2.471 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN(C)CC(F)(F)F)CC1 1588899846 YFMOMRRJKIFQNY-UHFFFAOYSA-N 473.503 2.277 30 10 JEEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1589059247 CUESSQPZEBWDRA-WOJBJXKFSA-N 460.648 2.019 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)c1ccco1 1589545296 NAOAVGNWCGSEBV-CUDHKJQZSA-N 479.603 2.383 30 10 JEEE C=CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1594661579 VKFNAXYTESODHX-WOJBJXKFSA-N 472.634 2.480 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1595477463 VKEFEQRDBZXKNF-WFXMLNOXSA-N 472.565 2.016 30 10 JEEE CC(C)CN1CCC[C@@H](Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCO[C@@H](C#N)C2)C1 1607447903 BZCUZHDINSDFGU-CTNGQTDRSA-N 486.642 2.445 30 10 JEEE Cc1nnc(CCn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N(C)C[C@@H](C)C#N)s1 1612520475 CVEARXJRNJVHPQ-AWEZNQCLSA-N 474.616 2.194 30 10 JEEE N#C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)c2cncc(-n3ccnn3)c2)CC1 1633103447 DDNNYJWXRWJCRO-IBGZPJMESA-N 452.316 2.447 30 10 JEEE C#C[C@H](CCC)NC(=O)N1CCN(CCS(=O)(=O)c2ccc(Br)cc2)CC1 1636561429 BWOYNNMSOHUWFK-QGZVFWFLSA-N 456.406 2.352 30 10 JEEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ncc(Cc3ccccc3Cl)s2)CC1 1666994069 WUNRHXWVVZOYCU-UHFFFAOYSA-N 453.977 2.004 30 10 JEEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1689916706 SJSCMWLCVNKKGF-HXUWFJFHSA-N 496.568 2.151 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1cccc(C(=O)NCC)c1)[C@H]1CCS(=O)(=O)C1 1689990517 PLINZZZXQNXTLA-FQEVSTJZSA-N 471.627 2.291 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@H]2CCN(CC(F)(F)F)C2)CC1 1690142943 YPYHGOJYQKGUPG-KRWDZBQOSA-N 477.535 2.134 30 10 JEEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1690178667 DJIMYXLDALVXLP-IBGZPJMESA-N 472.615 2.360 30 10 JEEE C#CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@](C)(C(N)=O)C1 1690186227 NHTAVUJVHNFZJF-AOMKIAJQSA-N 462.620 2.418 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccccc2OC)nnc1N1CCN(CC(=O)N(C)C)CC1 1690248433 NWHFOVWWYYTBQM-SQJMNOBHSA-N 482.629 2.069 30 10 JEEE C=CCN(CCOC)c1nnc(-c2ccc3ccccc3n2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1690615540 JOSMBKCHGAXIID-GOSISDBHSA-N 470.599 2.414 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CCCC(=O)N(C)C)C1 1690697534 XHSFSIRRGNJYDH-GOSISDBHSA-N 479.585 2.325 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1690719051 GHDUWNYNYQCKAN-QGZVFWFLSA-N 473.020 2.213 30 10 JEEE Cn1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@H](C(=O)NCC(F)(F)F)C2)cn1 1696857781 AJBTYZWNNSPLEB-QGZVFWFLSA-N 488.474 2.015 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CCCN1CCCO 1705504976 FRVMQNZWRYNKBT-VNTMZGSJSA-N 460.623 2.354 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2CC2(COC)CCOCC2)c1 1705506689 FZFBVEPULYWMMH-FQEVSTJZSA-N 467.570 2.281 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1sccc1C)[C@@H]1CCS(=O)(=O)C1 1705559944 CEDRTTLTJDAEQT-GCJKJVERSA-N 478.640 2.364 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CCc1cccc(C)n1)[C@H]1CCS(=O)(=O)C1 1705568034 FXWKMJWNNSGTNZ-QFIPXVFZSA-N 490.589 2.302 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1CCCN1C[C@H](C)O[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1705571452 ZKWQYDZQGYTIEX-FIXSFTCYSA-N 499.681 2.189 30 10 JEEE C#CCN(c1nnc(CSc2ccc(C)cc2)n1CC(C)(C)C(=O)NC)[C@H]1CCS(=O)(=O)C1 1705572361 YXMNDIFTUOMKCN-SFHVURJKSA-N 489.667 2.278 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H](C)c1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1705572383 ZOENYWBHORFGRS-CCMRYFRJSA-N 491.614 2.037 30 10 JEEE C#CCN(CC#C)c1nnc(COc2cccc(C)c2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1705585931 OHOZYYZGCGXDOW-GMAHTHKFSA-N 481.622 2.443 30 10 JEEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2CCCN2CCCCC2=O)CC1 1705639980 AOUNAAHPNLKTTE-UHFFFAOYSA-N 456.541 2.305 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(N(C)C)nc2)CC1 1705651193 NGRHMSWGWKKPPW-UHFFFAOYSA-N 498.591 2.204 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H](OCC)C(C)C 1705674460 JOLKBFKWYCAXLM-CNNODRBYSA-N 467.636 2.054 30 10 JEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](O)(c2ccc(F)cc2)C1 1705805143 ACMWAJXOJJXVLO-NZQKXSOJSA-N 493.605 2.204 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1705898753 WPKBLXMREZJNAR-UHFFFAOYSA-N 491.474 2.500 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccccc2F)C[C@@H]1C 1705936392 PXISMBONZMRDRX-ZWKOTPCHSA-N 463.579 2.237 30 10 JEEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCO[C@@H]2CCCC[C@@H]2C)CCO1 1711362836 GROQMUBYGCMVDJ-WMQCIHAUSA-N 452.559 2.363 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccsc3)n2C[C@@H]2CCS(=O)(=O)C2)c1 1722307592 QIFIQRPBOXDLGC-IBGZPJMESA-N 483.619 2.421 30 10 JEEE C#CCCCn1c(Cc2ccccc2F)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1722334298 DTSFSJNQVQHGGJ-FQEVSTJZSA-N 475.590 2.052 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccc(OC)cc1)N1CCCC1 1722384703 XOECGIGUODOUKX-FYYLOGMGSA-N 481.622 2.099 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)c1cccc(OC)c1 1722429530 SIWZWWFOZBSIAG-SFHVURJKSA-N 460.600 2.253 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@](C)(O)C(C)C)CC1 1722443912 PSTSTQBCQMYNFD-OAQYLSRUSA-N 477.407 2.409 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(CCOC)[C@@H](C)C1 1722507215 XGRWVNCPOIKMAM-JQVVWYNYSA-N 488.658 2.408 30 10 JEEE C=C(C)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1722523626 CSCXWIYAVQBDJB-NRFANRHFSA-N 452.559 2.415 30 10 JEEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1722583863 RDGJOHHLAGEIFJ-WWMYMODYSA-N 455.625 2.265 30 10 JEEE C=CCC(C)(C)Cn1c(-c2cccn2C)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1722586410 DUJKCKZCNCGLMT-UHFFFAOYSA-N 453.591 2.157 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c(-c2cnn(C)c2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1)C(C)C 1722664660 FEZDUZAJOXRSHI-CEWLAPEOSA-N 452.607 2.092 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCC(CO)CC1 1722694975 NWHKNGAHUCTNLG-UHFFFAOYSA-N 464.364 2.227 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H]1c1ccc2c(c1)OCCO2 1722724612 BGIBULTYUYCJLY-SFHVURJKSA-N 489.598 2.130 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1722750742 NZVUOAOHWJCDDO-UHFFFAOYSA-N 493.593 2.148 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(Br)c2)n1Cc1nncn1CC 1740636199 WOZQMWACSBGLIJ-UHFFFAOYSA-N 454.332 2.449 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(OC)c(OC)c2)n1Cc1ccc(C)n(C)c1=O 1740681416 KRRSMNUQCCBCBN-UHFFFAOYSA-N 451.527 2.104 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H]2CCOC2)CC1 1740694807 UTTVTOSJILJNNZ-UXHICEINSA-N 458.607 2.184 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2cccc(C(=O)NCC)c2)CC1 1740706328 SCLOHYUNAVQASX-QFIPXVFZSA-N 478.597 2.284 30 10 JEEE C#CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@@H](C(=O)OC)C1 1740718006 FPVASAAEGQFTDD-LJQANCHMSA-N 469.615 2.208 30 10 JEEE C=C(Br)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCS(=O)CC1 1740735912 ARFWVIBKOHNQLP-UHFFFAOYSA-N 472.796 2.339 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)COC)CC1 1740759988 NFPKTXOTNWWKEP-WMZHIEFXSA-N 457.550 2.284 30 10 JEEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C2CCOCC2)CC1 1740787592 GUXDMCUWFOFNNN-UHFFFAOYSA-N 489.642 2.242 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2csc(C)n2)CC1 1740838956 COTRQYPPYKTODV-GOSISDBHSA-N 466.633 2.021 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1740955385 SQYXUMQYZAFVOX-QGZVFWFLSA-N 471.558 2.039 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N(C)C1CCN(C(=O)c2ccccc2)CC1 1740957808 BAWYYLIQTMUQIE-HXUWFJFHSA-N 466.586 2.215 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCCN(c2ccc(OC)cc2)CC1 1740960263 OJFYIMAJUHAYPP-IBGZPJMESA-N 454.575 2.200 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N(C)Cc1nc(O)c2sccc2n1 1740995388 JUDUBFIDUJAZTK-CQSZACIVSA-N 464.573 2.077 30 10 JEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1748735045 MMPOFGDLWVOAJN-FQEVSTJZSA-N 484.626 2.200 30 10 JEEE C#CCCCn1c(Cc2ccccc2OC)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1748756444 MPDZRYKUKMRTSQ-OFNKIYASSA-N 464.614 2.280 30 10 JEEE C#CCN(c1nnc(-c2ccccc2)n1CCCc1nnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1748808161 AIZHFKCGNYSROL-GOSISDBHSA-N 456.597 2.365 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCN(C)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1748815615 SBDRQLJDXJZCQA-GOSISDBHSA-N 488.614 2.142 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCc1cc(F)cc(F)c1)[C@H]1CCS(=O)(=O)C1 1748818487 ZXXXXDOTNMRGKZ-XLIONFOSSA-N 464.538 2.320 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1CCCOC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1748820991 KYPHXFBNLONCMY-OAHLLOKOSA-N 462.519 2.484 30 10 JEEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2CCNC(=O)c2cccs2)CC1 1748999154 KMCYJBQQTZNUEI-UHFFFAOYSA-N 464.595 2.412 30 10 JEEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1Cc1cccs1 1749037479 DCFZAKBWSXUYQY-IEBWSBKVSA-N 495.696 2.250 30 10 JEEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1749106723 JREMJUDPGPCBIZ-LJQANCHMSA-N 494.419 2.357 30 10 JEEE C=CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1CN(C(=O)OC(C)(C)C)C1 1749475743 NCXOUHAZFWHNEP-UHFFFAOYSA-N 451.535 2.410 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c(C)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1)C(C)C 1749553771 VTVFTSSOSVJLAH-LEWJYISDSA-N 450.653 2.289 30 10 JEEE C=CCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1749617687 HDRZSWQIGACAPC-UHFFFAOYSA-N 472.347 2.489 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3Br)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1749703894 QZLIMQJCZUDQDT-YWZLYKJASA-N 497.415 2.039 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N(C)Cc1ccccc1N1CCOCC1 1749729200 DMOLXHBRBIEILN-UHFFFAOYSA-N 482.610 2.414 30 10 JEEE C#CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1760135324 RHRXFFYMRCLZTH-KRWDZBQOSA-N 468.583 2.009 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1CC1(C)COC1)[C@@H]1CCS(=O)(=O)C1 1760184345 VXTATSSVCCVGQV-MRXNPFEDSA-N 464.975 2.270 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCN(CC(F)(F)F)C2)CC1 1760255691 NQEVQXLSAAQGDD-KRWDZBQOSA-N 477.491 2.493 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCCCN2CCC(C)CC2)CC1 1760256739 JRHQHGGYNLWHIO-VWLOTQADSA-N 458.651 2.198 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCNC(=O)C2CC2)CC1 1760264111 BXVRZXRHAODJAM-UHFFFAOYSA-N 464.614 2.436 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](c2ccccc2)N(C)C)CC1 1760271233 QRNBRAPXNRSTCO-XMMPIXPASA-N 488.640 2.408 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@H]2CCOC[C@@H]2OC)CC1 1760271270 RZOVHUGHWFKTOH-VWNXMTODSA-N 495.624 2.089 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1760325717 RXGMEIXWCHSUPR-GGPKGHCWSA-N 465.645 2.430 30 10 JEEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2F)n1CCN1CCCS1(=O)=O 1760504669 XOJCKJIMHRDAPQ-UHFFFAOYSA-N 457.959 2.412 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N(CC)C[C@H]1CCCO1 1760515458 OLTXKZPNZRCSTC-OAHLLOKOSA-N 451.369 2.354 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1760518603 XRPNMYIDMDFVIZ-IQGLISFBSA-N 485.585 2.427 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@@H](CNC(C)=O)C1 1760526299 KLUCPNSMXKKXFS-FQEVSTJZSA-N 454.575 2.129 30 10 JEEE C=CCS(=O)(=O)CCn1c(CSc2ccc(C)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1760558467 PSGANIDCAXBWEY-HKUYNNGSSA-N 475.640 2.194 30 10 JEEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(NC(N)=O)cc1 1760808954 AGWRCVIQYKACFY-GUDVDZBRSA-N 453.547 2.464 30 10 JEEE CC(C)NS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@](C)(C#N)C1 1761270184 HXCCSACIYJLAAG-SFHVURJKSA-N 484.424 2.494 30 10 JEEE C[C@@H]1OCC[C@@]1(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1763267831 BXDGCMRELGZIPI-OYHNWAKOSA-N 492.502 2.252 30 10 JEEE CCn1cccc(Cn2c(C3CCN(c4ncccn4)CC3)nnc2N(C)C[C@H](C)C#N)c1=O 1765344698 HCVCQJHYWPWYMF-GOSISDBHSA-N 461.574 2.278 30 10 JEEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)N(CC)CC)C1 1765671133 AFYZKWZRXNEIDL-FXAWDEMLSA-N 459.620 2.065 30 10 JEEE C=CCNC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)[C@H]1CC(=O)N(CCc2ccc(OC)c(OC)c2)C1 1861592601 CTETUVMAZQPQEQ-UNMCSNQZSA-N 497.567 2.264 30 10 JEEE COc1cc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCN2CCOCC2)cc(OC)c1O 1862681304 XLFWNPOGHZEBRL-NRFANRHFSA-N 486.496 2.459 30 10 JEEE C=CCN(CC=C)C(=O)[C@@](C)(CC)NC(=O)c1ccc2c(c1)C(=O)N(CCCN(C)C)C2=O 1868606915 DCNNNBDFLAGUDY-RUZDIDTESA-N 454.571 2.333 30 10 JEEE O=C([C@@H](Cc1ccc(F)cc1)N=C1NS(=O)(=O)c2ccccc21)N1CCN(c2ccccn2)CC1 1869929328 GQDIGWFIKSNJEW-OAQYLSRUSA-N 493.564 2.219 30 10 JEEE COc1cc(C(=O)NCC(=O)Nc2c(C#N)nnn2-c2ccc(Cl)c(C)c2)cc(OC)c1OC 1870140466 SODFCWLZOYFHMD-UHFFFAOYSA-N 484.900 2.495 30 10 JEEE CCN(CC)CCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CN1CCC(C(N)=O)CC1 1870349251 GJYGYJCVKYNTAT-UHFFFAOYSA-N 465.598 2.338 30 10 JEEE CCCCCCCOc1cn(CCCN2CCOCC2)c(CN2CCN(CCO)CC2)cc1=O 1870412669 GCNXURSTQXZWRL-UHFFFAOYSA-N 478.678 2.030 30 10 JEEE COc1cc(/C=N/n2c(SCCO)nnc2[C@H]2CC(=O)N(Cc3ccccc3)C2)cc(OC)c1O 1874208814 PBZMZIXNFHZUFL-PYGAFPFSSA-N 497.577 2.484 30 10 JEEE CC(=O)NCc1nnc(SCC(=O)Nc2ccccc2)n1/N=C/c1cccc([N+](=O)[O-])c1 1874430868 BMLLPMUAKSBTAX-SSDVNMTOSA-N 453.484 2.435 30 10 JEEE COc1cccc(/C=N/n2c(CNC(C)=O)nnc2SCC(=O)NC2CCCCC2)c1OC 1874433873 BNWWVKOEWLQGMF-WYMPLXKRSA-N 474.587 2.355 30 10 JEEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)c3ccc(N4CCN(C)C4=O)cc3)CC2)CC1 1889486319 XIBCZSKTCRTGBO-UHFFFAOYSA-N 481.641 2.209 30 10 JEEE COc1nc(CNC(=O)[C@H]2SCC(=O)N(C(C)C)[C@H]2c2ccc(C#N)cc2)nc(N2CCCC2)n1 1890258019 BLYSDGYBDCEBBR-SFTDATJTSA-N 495.609 2.062 30 10 JEEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@H]1C(=O)N1CCC(COc2cc(C#N)ccn2)CC1 1892001444 PCITYQYLSJHEAU-IBGZPJMESA-N 473.555 2.029 30 10 JEEE CC(C)CS(=O)(=O)C1CN(C(=O)[C@@H]2SCC(=O)N(C(C)C)[C@H]2c2ccc(C#N)cc2)C1 1892106694 JZTOYPOGHBHJKA-LEWJYISDSA-N 463.625 2.233 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](Oc2c(I)cc(C#N)cc2[N+](=O)[O-])C1 2090215050 APJYIMWMYWVAIU-STQMWFEESA-N 475.239 2.430 30 10 JEEE C=CCC1(C(=O)Nc2c(I)nc(C)nc2I)CNC1 2121870197 XOXSFRBIUWUYOV-UHFFFAOYSA-N 484.079 2.098 30 10 JEEE CC(C)(C)OC(=O)NCCOCCCNC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2255640604 LXKPHKZAOTUUME-UHFFFAOYSA-N 455.386 2.104 30 10 JEEE CC(C)(C)OC(=O)N1CC2(CCN2S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2255753053 NKQJZZNNVDAQBT-UHFFFAOYSA-N 470.422 2.431 30 10 JEEE Cn1cc(C(=O)N[C@]2(C)CCN(C(=O)OCc3ccccc3)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2255830885 MDAUMHRDUDPMOT-XMMPIXPASA-N 468.363 2.250 30 10 JEEE CC1(C)OB(c2nccnc2C(=O)N2CCC(NC(=O)OCc3ccccc3)CC2)OC1(C)C 2256060038 MGXYVMHZQMNIMS-UHFFFAOYSA-N 466.347 2.307 30 10 JEEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)N(C)Cc1sccc1B1OC(C)(C)C(C)(C)O1 2256614908 QFKQBNBRDOMDFJ-CZUORRHYSA-N 454.398 2.280 30 10 JEEE C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1cc(B2OC(C)(C)C(C)(C)O2)cs1 2256627849 YOPJBGLMORWPQZ-CJNGLKHVSA-N 454.398 2.280 30 10 JEEE C[C@@H](c1cc(B2OC(C)(C)C(C)(C)O2)cs1)N(C)C(=O)[C@H](O)CNC(=O)OC(C)(C)C 2256680156 SCQRTZQQRSYMQW-DZGCQCFKSA-N 454.398 2.452 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)CC[C@H]2CO)C1 2266536598 UHGHNYHQMSUMQV-LDMCVSKHSA-N 465.591 2.417 30 10 JEEE CN(C)CCN(CCNC(=O)OC(C)(C)C)C(=O)c1coc(B2OC(C)(C)C(C)(C)O2)c1 2266989358 CMKFNMIVFCYIKF-UHFFFAOYSA-N 451.373 2.107 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@@](O)(CNC(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)C1 2267190890 UYVVTFXQMODQGZ-JOCHJYFZSA-N 450.341 2.071 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H](C)CN(C)C(=O)OC(C)(C)C)n1 2267527519 ISCWCSRZQAJEHT-OAHLLOKOSA-N 450.389 2.435 30 10 JEEE COC[C@H](ONC(=O)OC(C)(C)C)C(=O)NCc1ccccc1B1OC(C)(C)C(C)(C)O1 2268630440 KPKJJLLYXVFEPC-KRWDZBQOSA-N 450.341 2.073 30 10 JEEE CC(C)(C)OC(=O)NC[C@H](O)CC(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)ccc1F 2268721606 NOTBTYDKJMAYSL-MRXNPFEDSA-N 452.332 2.017 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@H]2[C@@H]1[C@H]2C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)s1 2268722181 WOTQOEDMDXMCCU-IXDOHACOSA-N 464.393 2.298 30 10 JEEE CC(C)(C)OC(=O)NCc1nc(CNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)cs1 2271183110 QWJBZQUIOHHXSF-UHFFFAOYSA-N 463.369 2.120 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1COCCN(C(=O)c2cc(F)ccc2B2OC(C)(C)C(C)(C)O2)C1 2281780051 PPOQIQNNXSLOMA-INIZCTEOSA-N 464.343 2.491 30 10 JEEE CC[C@]1(NC(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)CCCN(C(=O)OCc2ccccc2)C1 2281956195 VEVXESTXFXOQTR-VWLOTQADSA-N 497.405 2.426 30 10 JEEE Cn1cc(C(=O)N[C@H]2C[C@H]3CC[C@H]2N(C(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)n1 2281967013 MOMGBGBGXXLGHX-HYVNUMGLSA-N 460.384 2.237 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](C(=O)O)N(C(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)C1 2282023224 LHQBPTHOZFOAHB-OCCSQVGLSA-N 481.380 2.025 30 10 JEEE C[C@@H]1CN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C[C@H]1CCNC(=O)OC(C)(C)C 2282029528 TVHNLDDZWZRYFK-HZPDHXFCSA-N 460.384 2.399 30 10 JEEE Cn1cc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C2CC2)nc1B1OC(C)(C)C(C)(C)O1 2282036881 ORKJPTFOAHMHNC-NVXWUHKLSA-N 460.384 2.237 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(F)ccc2B2OC(C)(C)C(C)(C)O2)C[C@H](O)C1 2282398132 WVFQLMFGSKMJIM-INIZCTEOSA-N 464.343 2.179 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCCN(S(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CC1 2282419686 XCJUIGKLBASAFX-QGZVFWFLSA-N 481.424 2.449 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2[C@H](NS(=O)(=O)Cc3ccccc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2282494437 YLAWMVOVBTUMTB-DZFIZOCASA-N 478.420 2.271 30 10 JEEE CN(C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C 2282555060 NEEFKIYRXGNGGU-NVXWUHKLSA-N 462.400 2.485 30 10 JEEE Cc1c(C(=O)N(CCNC(=O)OC(C)(C)C)CC(F)F)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282593252 NZXFLCVLXLEMND-UHFFFAOYSA-N 472.342 2.260 30 10 JEEE C[C@H](CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1)N1CCN(C(=O)OC(C)(C)C)CC1 2282603740 KVLXGUMLOFSHKD-OAHLLOKOSA-N 480.440 2.113 30 10 JEEE CC(C)(C)OC(=O)NC1CC(O)(CNC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2Cl)C1 2282608805 ZMGKFQHXZKWILS-UHFFFAOYSA-N 481.786 2.182 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)OCC12CC2 2282624850 ZPAUHEQGUSSELO-INIZCTEOSA-N 461.368 2.212 30 10 JEEE CO[C@H]1C[C@H](CNC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)N(C(=O)OC(C)(C)C)C1 2282664442 CTHOVRGKEQCBLH-CVEARBPZSA-N 461.368 2.135 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](F)CN1S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282858221 TYLVDPCLLILVEQ-HZPDHXFCSA-N 485.387 2.007 30 10 JEEE COC[C@@H](ONC(=O)OC(C)(C)C)C(=O)N1CCc2ccc(B3OC(C)(C)C(C)(C)O3)cc21 2283946758 RFSLTONDARQCPS-GOSISDBHSA-N 462.352 2.346 30 10 JEEE CN(C(=O)OC(C)(C)C)C1(C(=O)N2Cc3cccc(B4OC(C)(C)C(C)(C)O4)c3C2)COC1 2284042778 VXRKQGGRCUTNMR-UHFFFAOYSA-N 458.364 2.464 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2285183314 WVAMCIZHHSHJLL-GOSISDBHSA-N 464.343 2.377 30 10 JEEE Cc1cccc(OC[C@H](O)Cn2c(NN=Cc3ccccc3Cl)nc3c2c(=O)n(C)c(=O)n3C)c1 2327753940 PAEVUVGRKKXLPC-QGZVFWFLSA-N 496.955 2.281 30 10 JEEE COc1ccc(OCc2nnc(SCC(N)=O)n2N=Cc2cc(OC)c(O)c(OC)c2)cc1 2328369212 HKJPSZTWHWPWGA-UHFFFAOYSA-N 473.511 2.048 30 10 JEEE Cn1cc(C(=O)N2C[C@@H]3C[C@H]2C[C@H](NC(=O)OC(C)(C)C)C3)nc1B1OC(C)(C)C(C)(C)O1 2359268288 FDLXYPMNYAYXMH-XHSDSOJGSA-N 460.384 2.237 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CC[C@@H](B3OC(C)(C)C(C)(C)O3)C2)S(=O)(=O)C(C)(C)C1 2368345465 JFVUDNQXQYCMHK-HZPDHXFCSA-N 486.440 2.494 30 10 JEEE Cc1cc(CNC(=O)[C@H]2C[C@@H](O)CN2C(=O)OC(C)(C)C)cc(B2OC(C)(C)C(C)(C)O2)c1 2369678701 JAEWYMFGYWZWCC-RTBURBONSA-N 460.380 2.281 30 10 JEEE COc1ccc(/C=N/Nc2nnc(SCC(=O)Nc3cccc(NC(C)=O)c3)n2N)cc1OC 20292723 HKOZEZNVSXFTFC-FOKLQQMPSA-N 484.542 2.144 30 10 JEEE COc1ccc([C@@H]2c3c(nc(N4CCCC[C@@H]4C)[nH]c3=O)NC(=O)[C@@H]2C#N)c(OC)c1OC 72444453 MCRZVFRCCIANLL-BJJXKVORSA-N 453.499 2.398 30 10 JEEE C[C@@H]1C[C@H]2[C@@H]3CCC4=C(SCC(=O)O)C(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@]1(O)C(=O)CO 118939115 YNWPGLLPEDRZEY-JDRMPGFRSA-N 482.570 2.041 30 10 JEEE O=C(N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc2c(c1)OCCO2)c1ccc2c(c1)OCO2 254678978 HCLFMJGZPOMOHH-KUHUBIRLSA-N 474.516 2.102 30 10 JEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)c2cccnc2S(=O)(=O)C(F)(F)F)cc1 747640420 WIGSBNCUOKYZNG-UHFFFAOYSA-N 463.459 2.434 30 10 JEEE C=CCOc1c(I)cc(I)cc1C=NNc1nn[nH]n1 1084158516 IWRWBHXHKSQEJD-UHFFFAOYSA-N 496.050 2.420 30 10 JEEE C[C@H]1CN(c2ccc(CNS(=O)(=O)c3cc(Br)cc(C#N)c3)cn2)CCO1 1185372924 BVKKRECPJVZHDP-ZDUSSCGKSA-N 451.346 2.419 30 10 JEEE C=C(C)COCCNC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1 1266072278 GUKZROQVMCJEIJ-UHFFFAOYSA-N 451.589 2.020 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CC1(N2CCCC2)CCOCC1 1286303102 PLCMVKQMDZAGRA-GOSISDBHSA-N 456.616 2.373 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1CC[C@H](OC)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1286393735 MOWWRUPJTGOFPG-CABCVRRESA-N 450.527 2.461 30 10 JEEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2C[C@H]2CN(CC(C)C)CCO2)CC1 1286483182 AHHLPDCXJUBQOT-XMMPIXPASA-N 466.630 2.012 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2cccc(CO)c2)CC1 1286485249 GTERWZIMMNADLT-SZPZYZBQSA-N 480.613 2.345 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1286781836 CIIRYDUQODVIJW-BGYRXZFFSA-N 477.569 2.422 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H]3CCCOC3)nnc2N2CCO[C@H](CNC(C)=O)C2)cc1 1286796084 IOBOMHAKMXVTCI-IFMALSPDSA-N 455.559 2.127 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H](C)N2CCOCC2)C1 1286798929 PRDCFHIVQVXMOY-GHTZIAJQSA-N 489.020 2.364 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1300300043 VZMIIJGNULLXMJ-FXAWDEMLSA-N 453.572 2.013 30 10 JEEE C#CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](COC)C1 1300362796 AESGGCXTWUIWPJ-OALUTQOASA-N 463.579 2.242 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1Cc1ccccc1CN1CC[C@@H](O)C1)[C@@H]1CCS(=O)(=O)C1 1300485787 YOQDQJMFVQJVFL-UEVCKROQSA-N 485.654 2.033 30 10 JEEE C#CCN(c1nnc(-c2ccccc2)n1CC(=O)NC1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1300488828 GYSPQPVJZBOKHK-HXUWFJFHSA-N 455.584 2.021 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCCN1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1300495863 KDIPGURJGRTWHT-LEWJYISDSA-N 463.648 2.268 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1ccc(N2CCOCC2)nc1 1300656374 FYSHTXSWUMGBSJ-UHFFFAOYSA-N 477.525 2.219 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCC(C)(C)O)CC1 1300711935 KIXZHXFPXNITMG-UHFFFAOYSA-N 466.586 2.274 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2C[C@@H](C(C)C)N2CCOCC2)CC1 1300719277 UUUHNANBPINVLQ-QHCPKHFHSA-N 494.640 2.276 30 10 JEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCCN(C(=O)Cc2cccc(F)c2)CC1 1300733654 ZQLHHSZLDMWLJW-UHFFFAOYSA-N 498.628 2.301 30 10 JEEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(=O)c2ccccc2F)CC1 1300950725 NEVQXWOLZSEMCN-KRWDZBQOSA-N 461.563 2.248 30 10 JEEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](CN2CCOCC2)C1 1301136744 BRNVXGRFEDLOTB-RBUKOAKNSA-N 468.668 2.039 30 10 JEEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OC)c(Br)c1 1301272971 MIKXTAPSWNASHU-LBPRGKRZSA-N 458.382 2.330 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1CC1(O)CC(OCC)C1 1301340114 VLTKOTHMXUUOCN-VIHQBZHPSA-N 450.543 2.223 30 10 JEEE C=CCn1c(-c2cc(Br)cn2C)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1301434319 JJARJXBQAREMIC-HNNXBMFYSA-N 472.409 2.262 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CCC[C@H](CC(N)=O)C1 1301484368 GJSYMULBSKYTLG-CQSZACIVSA-N 491.390 2.110 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1301484540 ICOTYRMAQCSYIN-UHFFFAOYSA-N 496.616 2.150 30 10 JEEE CC(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)N2CCOCC2)C1 1301852393 CWNKFVOHQLOYNH-OAQYLSRUSA-N 465.602 2.280 30 10 JEEE N#Cc1cccc(-c2nnc(N3CCC[C@H](C(F)(F)F)C3)n2C[C@@]2(O)CCS(=O)(=O)C2)c1 1302985924 DAEYHEHHSUKBKQ-LPHOPBHVSA-N 469.489 2.145 30 10 JEEE COCCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CCN(c2ccccc2F)C1 1316100823 APOXLDLKGRBUKD-IEBWSBKVSA-N 455.538 2.261 30 10 JEEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Cl)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1358897865 HPFWGGUIMOJZQP-JKSUJKDBSA-N 451.980 2.250 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1CCc1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1358959535 LBIHBTBTQXWJQD-SFHVURJKSA-N 499.593 2.437 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1358960235 ZYZWIGYUZJFEOG-SJORKVTESA-N 464.975 2.413 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1cccc(OCC)c1)[C@H]1CCS(=O)(=O)C1 1358961276 VQOMCNRMZMOBBJ-IBGZPJMESA-N 451.552 2.414 30 10 JEEE C#CCN(c1nnc(CCOc2ccccc2)n1C[C@@H]1OCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1358965883 DARRCLWQHNPVRM-FPOVZHCZSA-N 472.611 2.341 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1Cc1ccc(C)nc1)[C@@H]1CCS(=O)(=O)C1 1358967592 NPHJOELGKBIVTE-LJQANCHMSA-N 469.542 2.375 30 10 JEEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ncnn1-c1ccccc1 1358986291 SQUUVGFXHPLRLZ-VWLOTQADSA-N 459.554 2.411 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCc1nccnc1C 1358987078 RAUWGQNNCWIUJA-UHFFFAOYSA-N 476.610 2.351 30 10 JEEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN(C)CC(F)(F)F 1359006840 KVVRNBVLFPEODO-UHFFFAOYSA-N 457.526 2.192 30 10 JEEE C#CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(C(=O)OCC)CC1 1359052700 NLSAJDLGGDKRAH-UHFFFAOYSA-N 457.556 2.361 30 10 JEEE C#CCSCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](C(N)=O)C1 1359056304 CIWHEABXCHJZDJ-IRXDYDNUSA-N 462.620 2.071 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCCCO2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1359083365 INBPKYXRWWIEAD-LZQZEXGQSA-N 481.439 2.417 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)CCS(C)(=O)=O 1359094748 FILYOBSPKSLZPO-YLJYHZDGSA-N 462.572 2.178 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1359295789 OAXIKHMGFKGYLX-MRXNPFEDSA-N 491.999 2.077 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(N(C)C(=O)OCC)CC1 1359296901 YIMPOGMFTWXASN-UHFFFAOYSA-N 451.531 2.176 30 10 JEEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1359301206 UZWPGOITEOLRRK-ICSRJNTNSA-N 487.649 2.368 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC(O)(Cc2ccccc2F)CC1 1359302905 XPDNYKXWARTPNK-UHFFFAOYSA-N 464.545 2.279 30 10 JEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2cnc(Br)c(OC)c2)c1 1434893420 FMLQUOCDZIUUKG-UHFFFAOYSA-N 458.312 2.340 30 10 JEEE CCC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)N2CCOCC2)CCO1 1500282844 DBTIIMAMQILSRC-KNQAVFIVSA-N 454.575 2.455 30 10 JEEE CCN1CCN(C[C@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCO[C@H](C)C2)CC1 1502345891 HJFGRRREOWBDIN-LEWJYISDSA-N 467.618 2.227 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2cnn(C)c2C)c1 1507549590 IDFXBICWSGKQEX-SANMLTNESA-N 491.596 2.465 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1CC(CC)(CC)OC)[C@@H]1CCS(=O)(=O)C1 1507635606 UIMSNADBHSGUHN-GOSISDBHSA-N 465.645 2.466 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccccc2CN(C)C(C)C)CC1 1507716424 QZSQXNWMJKCMPH-UHFFFAOYSA-N 451.619 2.060 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2CCCN2CCCO[C@@H](C)C2)CC1 1507739447 HXUUZQQTIFXISH-FQEVSTJZSA-N 484.670 2.397 30 10 JEEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCN(C2CCOCC2)CC1 1507778903 ISEXTLHGDHPHTD-INIZCTEOSA-N 458.401 2.212 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ncccc1Cl 1507820619 IOOZOPMMZDBTGZ-KRWDZBQOSA-N 485.010 2.141 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@H](n2cncn2)C1 1508095564 XTRYGUUXCFLYPS-KRWDZBQOSA-N 456.938 2.246 30 10 JEEE C=CCSCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1508152497 ZFCBDJMSPCQXOM-IBGZPJMESA-N 468.627 2.309 30 10 JEEE CN(CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](CN2CCOCC2)C1)CC(F)(F)F 1517311262 GYPPEDDHPJBETB-IBGZPJMESA-N 477.535 2.469 30 10 JEEE CNS(=O)(=O)CCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCC(C#N)CC1 1517625754 HTZRKBBEHSQDKG-UHFFFAOYSA-N 470.555 2.406 30 10 JEEE COc1ccc(CCc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@H]2CCCCS2(=O)=O)cc1 1518201696 AIUFPXSTTWJJFR-DENIHFKCSA-N 461.563 2.481 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H](C)CN1CCCC1 1538983832 YDNJLBWAWMGDJS-MOPGFXCFSA-N 458.632 2.385 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ccc(C)cc1SC)[C@@H]1CCS(=O)(=O)C1 1539216778 XBIHFDHGPUIVPE-GOSISDBHSA-N 468.608 2.440 30 10 JEEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccnc1Oc1cccc(F)c1 1539239924 SYSSASOZVQLETC-KRWDZBQOSA-N 482.541 2.336 30 10 JEEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(=O)NCCc1ccccc1 1539345025 PAIXUOQYRVTQRY-UHFFFAOYSA-N 493.637 2.365 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CCC(=O)N1 1539384215 AECOSRCSOTZNLM-YKSBVNFPSA-N 455.534 2.376 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC2(CS(C)(=O)=O)CC2)CC1 1539436493 UPMWLRWMELURPT-UHFFFAOYSA-N 465.982 2.318 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCCc2ccccc2)CC1 1539480771 DZYKKYAEJZEBPX-JOCHJYFZSA-N 483.638 2.169 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc(OC)c(OC)c1 1539538384 GUKFKDPXMMPSAF-KSFYIVLOSA-N 461.588 2.140 30 10 JEEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)Cc2cccc(OC)c2)CC1 1539722503 OGJRJGMIEJLOIG-REWPJTCUSA-N 469.586 2.478 30 10 JEEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@]1(N(C)C)CCSC1 1540054229 OATHBKNRAUTOPP-OAQYLSRUSA-N 464.661 2.255 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1coc2ccccc12 1540201704 YUGHCXFWSBCYTM-FQEVSTJZSA-N 475.571 2.044 30 10 JEEE C=CCS(=O)(=O)CCn1c(CSc2ccccc2OC)nnc1N1CCCN(C(C)=O)CC1 1540908848 PFSNADVELPSIMC-UHFFFAOYSA-N 493.655 2.238 30 10 JEEE COCCNC(=O)[C@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CCN1C(=O)c1cccc(C)n1 1548372423 DXQSTVZMXYQYCV-HXUWFJFHSA-N 475.471 2.374 30 10 JEEE C#CCSCCNC(=O)C1CCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)CC1 1565830826 PBIVKJNPQAQAFE-UHFFFAOYSA-N 450.504 2.469 30 10 JEEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1nnc(C)s1 1587662556 OWEFYQQJKUONNW-SFHVURJKSA-N 450.616 2.309 30 10 JEEE C#CCN(c1nnc(CC2CCCC2)n1CCCNC(=O)c1occc1C)[C@H]1CCS(=O)(=O)C1 1588064497 JDFOZVNTRXEDOB-FQEVSTJZSA-N 487.626 2.359 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1CCCc1c[nH]nc1C)[C@H]1CCS(=O)(=O)C1 1588069187 JFHJEZCTPCOJOS-NRFANRHFSA-N 482.610 2.457 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@@H](OC)C(C)C)[C@H]1CCS(=O)(=O)C1 1588069453 OHNAWYGQGUVQLN-PZJWPPBQSA-N 460.600 2.463 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1nnc2n1CCCCC2 1588194603 YCRSOTMJZCHQPE-UHFFFAOYSA-N 477.594 2.178 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C(C)(F)F)c1 1588233966 XGCGPPZTNCHLQO-FQEVSTJZSA-N 491.564 2.234 30 10 JEEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1CSCCS1 1588647889 ZLCQHEQWBJFRIP-LJQANCHMSA-N 473.672 2.387 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccc3F)n2C[C@@]2(O)CCO[C@H]2C)n1 1588723354 LOERRXKLIJOACI-UUOWRZLLSA-N 468.533 2.107 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC(C)C)CC1 1588884643 IDXNKTRAWLOPEL-UHFFFAOYSA-N 456.978 2.483 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(O)(CCC)CCC)CC1 1594241671 YRJRFAVURSTWJJ-IBGZPJMESA-N 469.652 2.345 30 10 JEEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 1594625554 GVUWTVYVEXZHGI-FGZHOGPDSA-N 473.643 2.392 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)NC(CC)CC)nnc2N2CCN(C)C(=O)[C@@H]2C)cc1 1595607501 GNHSXRSSMGIZGC-KRWDZBQOSA-N 454.575 2.477 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1595812133 OBNTUKDWCPHJFB-LEWJYISDSA-N 465.664 2.159 30 10 JEEE C[C@@H]1CN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CCN1C(=O)OC(C)(C)C 1615904188 CEZXAEIJJAHOEW-WIYYLYMNSA-N 459.566 2.476 30 10 JEEE C=CCCCS(=O)(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1622237144 NOLNNLXXLRCFEY-MSOLQXFVSA-N 456.609 2.150 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN(C(=O)CCn3cc(C#N)c(O)nc3=O)CC2)C1 1629207447 ATSNBVLELSWEML-QGZVFWFLSA-N 459.547 2.096 30 10 JEEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCOc3ccc(Br)cc3C2)cc1 1633910294 FCUYFVLYGVIFOJ-UHFFFAOYSA-N 450.314 2.020 30 10 JEEE O=C(C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1)N1CC(F)(F)OC(F)(F)C1 1645860133 GMIVFWFELWDPHX-UHFFFAOYSA-N 456.322 2.404 30 10 JEEE C=C(CC)CNC(=O)N1CCN(c2ccc(S(=O)(=O)N(CC)CC)cc2[N+](=O)[O-])CC1 1686779885 MZTTXMIRHFMKCT-UHFFFAOYSA-N 453.565 2.423 30 10 JEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1689914074 ZVGOKFATQMTMEW-FGTMMUONSA-N 482.651 2.431 30 10 JEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(c2ccnc(C)n2)CC1 1689916328 GZSGXTYEFRUSKR-UHFFFAOYSA-N 465.583 2.187 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@H](C)N(C)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1689986213 KYMXMNXYCXTXFO-ZWKOTPCHSA-N 490.630 2.166 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCOc1ncccc1Cl 1690006759 ZLFWDAOKDDRDSI-UHFFFAOYSA-N 498.996 2.396 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[C@H]1CCOc2ccccc21 1690032443 BLKHBYMKALNBTA-OALUTQOASA-N 455.584 2.308 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OC)n2C[C@H]2CCCO2)CC1 1690152324 HGGUTTSYEQTNLS-LJQANCHMSA-N 453.543 2.011 30 10 JEEE C=C(C)Cn1c(N2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)nnc1[C@@]1(OCC)CCOC1 1690297691 CGRFRPUNASBJGG-SIKLNZKXSA-N 467.636 2.337 30 10 JEEE C=C(Cl)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1690351539 WQEURYJKJQCGBU-GDBMZVCRSA-N 450.996 2.179 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCN(C(C)=O)C1 1690563059 GANODGQCZYMUDE-WIYYLYMNSA-N 474.631 2.339 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@H]1C1CCC1 1690662661 CDEFMJOQHZOPSY-FQEVSTJZSA-N 472.615 2.267 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(N2CCCCC2=O)CC1 1690665777 PFYYEWYDKQAAHK-UHFFFAOYSA-N 457.966 2.277 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1690723213 LFIDACGYBQQZHA-IBGZPJMESA-N 459.620 2.432 30 10 JEEE CC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCN2S(C)(=O)=O)C[C@@H](C)O1 1694930785 DZTYPNVMGFFPKT-AHRSYUTCSA-N 458.588 2.244 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCc1cccc(C(N)=O)c1 1705489309 MZUYVMPXSJKLDA-MRXNPFEDSA-N 465.583 2.038 30 10 JEEE C#CCCCn1c(Cc2ccc(F)cc2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1705535229 FOQOIULAUSFDDC-UHFFFAOYSA-N 480.588 2.362 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCN(C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1705566251 LVBLTIUWYWAUJW-SFTDATJTSA-N 457.600 2.283 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCN(CC)CCC 1705582770 JFGLJGYHOFQTQS-HXUWFJFHSA-N 458.607 2.391 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1Cc1cccc(C(=O)NCC)c1 1705584590 QOFUBKRNPYDDCD-UHFFFAOYSA-N 451.534 2.387 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CC(F)(F)c2ccccc2)CC1 1705647111 AJJMTRGNBVSNSE-UHFFFAOYSA-N 451.481 2.493 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2c(F)cccc2SC)CC1 1705647823 LWXZOEMGAVTRAJ-GOSISDBHSA-N 470.574 2.104 30 10 JEEE 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 1705824013 CYOAGNBTOGHFBA-ZJPYXAASSA-N 463.579 2.375 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1705899141 JCQDOTAWAZYUFC-XLIONFOSSA-N 458.994 2.448 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](COC(C)C)C1 1705912307 GBVNCHKVTGPDHS-VQTJNVASSA-N 455.559 2.473 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccc(C(=O)NCCC)c2)C1 1705924296 BUTHCUWXQZRUFD-SFTDATJTSA-N 487.626 2.150 30 10 JEEE COCC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCC[C@@H](O)C2)CC1 1712108043 AIQNSDCJIOMCAL-WIYYLYMNSA-N 452.559 2.099 30 10 JEEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1722321779 KPRPYTMRUOSXBR-GOSISDBHSA-N 454.579 2.008 30 10 JEEE C#CCCCn1c(-c2cccc(OC)c2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1722325073 DGZHLYAPPKUOIV-FQEVSTJZSA-N 450.587 2.500 30 10 JEEE C#CCCCn1c(N2CCN([C@@H](C)c3nc(C)no3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1722341434 XZMHUQJYIUYKGO-FDDCHVKYSA-N 457.579 2.307 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C)CN(C)C(=O)OC(C)(C)C)CC1 1722431000 DLNSAMBHIVPKKR-IBGZPJMESA-N 496.616 2.184 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@H]2CN(CC(C)C)CCO2)CC1 1722444253 VTWFXJFGPTVMJT-DEOSSOPVSA-N 494.640 2.276 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](c2ccco2)N(CC)CC)CC1 1722445756 BLIUKXHONREXFV-OAQYLSRUSA-N 478.601 2.321 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCN(C(=O)OC)[C@@H](C)C2)nnc1[C@@]1(OCC)CCOC1 1722503726 XPYGCPFFOBBELB-KEXUJGGDSA-N 463.579 2.188 30 10 JEEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1722581536 DOBQPAQLZMJKKR-DLBZAZTESA-N 454.641 2.232 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCCC1 1722680944 DOULATFCEDMAQQ-LJQANCHMSA-N 464.611 2.321 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 1722697230 XUSABSLKBZWVJH-GOSISDBHSA-N 455.559 2.278 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2cccc(C(=O)N(C)C)c2)C1 1722709346 OHKQKXGHAIPMSE-OAQYLSRUSA-N 466.586 2.240 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC(C(=O)OC)CC1 1722730455 SBVLISSRIJAPPO-UHFFFAOYSA-N 476.599 2.464 30 10 JEEE C=CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCCN(CC)C(=O)C1 1722737971 XTTFFAPCTKVQJL-UHFFFAOYSA-N 477.660 2.216 30 10 JEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2ccc(F)cc2F)C1 1740580675 FUXJXDVKHCNZQP-RDTXWAMCSA-N 453.515 2.158 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1C[C@@H]1CN(Cc2ccccc2)CCO1)[C@@H]1CCS(=O)(=O)C1 1740617371 QBWFOPIKVPVHEN-MZYLBHOOSA-N 485.654 2.319 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCN(C)CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1740618241 FOSSXZJPHUHXKR-QGZVFWFLSA-N 485.532 2.075 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CC1(COC)CCC1)[C@@H]1CCS(=O)(=O)C1 1740619287 NHTRVLOTMSHKJK-MRXNPFEDSA-N 496.431 2.479 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@@](C)(O)CCC)[C@@H]1CCS(=O)(=O)C1 1740629078 ZXUMUFCCKKRXEU-XXBNENTESA-N 460.600 2.343 30 10 JEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1CCCCN1CC 1740631503 BGTAJLLQWWMRHA-HXUWFJFHSA-N 467.643 2.494 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Oc1cccc(F)c1 1740732311 YPZDFVSTYJWFJA-HCLVMJGWSA-N 491.589 2.210 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCNC(=O)c2ccc(C)c(F)c2)CC1 1740825300 LQZUFQOOGPIXCQ-GOSISDBHSA-N 461.563 2.214 30 10 JEEE C=CCCOCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC(CO)CC1 1740884872 POWFZXSDDTZJFJ-UHFFFAOYSA-N 452.559 2.476 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1c1ccsc1 1740992160 MMQKJGLGJHPVKS-IAGOWNOFSA-N 470.642 2.184 30 10 JEEE CC(C)NC(=O)c1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1C[C@H](C)N1CCOCC1 1741648896 GWIQFKSZIPVVFF-IBGZPJMESA-N 463.586 2.302 30 10 JEEE CCN(CC)C(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCC(O)CC2)CC1 1746052128 BQCVYIWHSNXCQB-UHFFFAOYSA-N 494.644 2.247 30 10 JEEE COc1cc(Cn2c(Cc3ccccn3)nnc2N2CC[C@@](F)(C#N)C2)ccc1OCCO 1748542507 CLRXGJGGZWDUNB-HSZRJFAPSA-N 452.490 2.134 30 10 JEEE C#CCCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC(C(=O)NCC#C)CC1 1748701073 AYYCOSVHRDASNO-UHFFFAOYSA-N 495.653 2.316 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1CCN1CCc2ccccc2C1)[C@H]1CCS(=O)(=O)C1 1748804650 JPDNVLVQWXRZMG-KNQAVFIVSA-N 455.628 2.477 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCN(C)C1CCCC1)[C@@H]1CCS(=O)(=O)C1 1748810056 RRYDNNXOZQPNBC-OAQYLSRUSA-N 471.627 2.455 30 10 JEEE C#CCN(c1nnc(-c2cnn(-c3ccccc3)c2)n1CCOC(C)C)[C@@H]1CCS(=O)(=O)C1 1748812349 TUEHOBAQNLDTCE-OAQYLSRUSA-N 468.583 2.183 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCc1cc(C)ccc1OC)[C@@H]1CCS(=O)(=O)C1 1748823900 FAHRMMZUIINORM-TZIWHRDSSA-N 458.584 2.316 30 10 JEEE C#CCSCCn1c(N2CCC[C@H](NC(=O)C(C)(C)C)C2)nnc1[C@@]1(OCC)CCOC1 1749048726 UXWJNDBFBSYVDX-FDDCHVKYSA-N 463.648 2.428 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN1c2ccccc2C[C@H]1C 1749053479 HXYPEGFDTIWLJA-PMAPCBKXSA-N 456.616 2.332 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2nnc(O)c3ccccc23)n1CCCN(CC)S(C)(=O)=O 1749064693 GOPVQXZNMNMBCO-HSZRJFAPSA-N 483.598 2.258 30 10 JEEE C=CC1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCS(=O)(=O)N(C)C)CC1 1749352672 SUGKYVQJKQICPR-HDICACEKSA-N 482.651 2.343 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](COC)C1 1749368615 NURLGVTUJYEJHP-MSOLQXFVSA-N 455.625 2.076 30 10 JEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(C(F)(F)F)cc1 1749629788 DWXFCESGNNCBHH-MRXNPFEDSA-N 459.494 2.452 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H]1CSC 1749668930 GQJKLGOZWKBZIB-DLBZAZTESA-N 480.635 2.221 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@]2(CCOC2)C1 1749670869 WAFWXMSMLXRTLA-HOYKHHGWSA-N 474.606 2.312 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cn2ccc3ccccc32)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1749738055 DDOPFUWPIPMMFB-UYAOXDASSA-N 473.599 2.122 30 10 JEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCN2[C@H](C)CC[C@H]2C)CC1 1749755338 FXSPLOYDSRRKBQ-NJDAHSKKSA-N 496.747 2.094 30 10 JEEE CC(C)NC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 1750991895 AUAHSWAZQAVWCP-LJQANCHMSA-N 452.559 2.363 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCC(=O)N[C@@H](C)CC 1760101428 PMCIBDYVDHWVIJ-HOTGVXAUSA-N 459.620 2.309 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1CCN(CCN(C)C)CC1 1760103001 WNIQUJZLMTUULN-IBGZPJMESA-N 472.659 2.080 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@H](OC)C(C)C)c1 1760127397 YBKPTAKIEZUXCG-FQEVSTJZSA-N 452.559 2.241 30 10 JEEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCN(C(=O)C2CC2)CC1 1760155489 ZPVZTGRVSOAKOD-HXUWFJFHSA-N 486.617 2.449 30 10 JEEE C#CCCCn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1760157990 BZBDIXAYVQZZGJ-UHFFFAOYSA-N 454.550 2.154 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CC1(COC)CCC1)[C@H]1CCS(=O)(=O)C1 1760183695 CVSXTLDEXAXVCL-FQEVSTJZSA-N 453.568 2.260 30 10 JEEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1CC1CC(C)(C)C1)[C@H]1CCS(=O)(=O)C1 1760192880 ZHAKOFIJKDZVSC-KRWDZBQOSA-N 475.640 2.333 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1nnn(C)n1 1760243955 VAIVUYKLDCFLCR-IZAXUBKRSA-N 495.563 2.400 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2cc(F)ccc2OC)CC1 1760255870 BHXCCJYQFDPQJI-XMMPIXPASA-N 457.550 2.270 30 10 JEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](CC(C)C)NC(=O)OCC)CC1 1760261434 RKQJYHWLTQNEQC-NRFANRHFSA-N 470.622 2.056 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(COC)CCOCC2)CC1 1760266550 CWOSRQRIHFQSDV-UHFFFAOYSA-N 476.581 2.226 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cnn(-c2ccccc2)c1 1760289741 SJLLGTVRLJHEEG-VGOFRKELSA-N 453.572 2.114 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OC(C)C)CCOC2)n1CCCN1CCN(CC)CC1 1760290290 AUWREHYTECEITN-JWQCQUIFSA-N 458.651 2.338 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(C)C)CC1 1760322584 UVHVNUJGTPPPIJ-AQNXPRMDSA-N 451.637 2.082 30 10 JEEE C=C(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1760348234 ZWZKFZCJBWBDOL-UHFFFAOYSA-N 458.526 2.125 30 10 JEEE C=C1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCS(=O)(=O)CC)CC1 1760389950 XLFYFOCMXKPBMQ-KRWDZBQOSA-N 469.608 2.178 30 10 JEEE C=CCCCCn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1760421464 PVNFZBKMQDIZQT-PZJWPPBQSA-N 459.639 2.152 30 10 JEEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1760507381 CIIKLWINDREGGN-FQEVSTJZSA-N 485.614 2.100 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cnccn3)n2CCNC(=O)c2ccc(C)c(F)c2)C1 1760545038 MHMROLFGIGONNJ-SFHVURJKSA-N 451.506 2.394 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccccc2OC)CC1 1760556107 UYTPCTZCZXNZOF-IBGZPJMESA-N 475.615 2.108 30 10 JEEE C=CCS(=O)(=O)CCn1c(N(C)C[C@@H]2CCCN(C)[C@H]2c2cnn(C)c2)nnc1C(C)(C)C 1760558014 CWHRMKLXIBURSD-AZUAARDMSA-N 477.679 2.429 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N1CCN(c2ccccc2)CC1 1761409692 DHJFCXRPNUEENS-HBMCJLEFSA-N 485.658 2.129 30 10 JEEE COCC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1769180457 BXEZXYHAPCDYTF-UHFFFAOYSA-N 460.604 2.350 30 10 JEEE N#C[C@@H]1CN(c2nnc(-c3cc(F)ccc3Br)n2Cc2ccc(C(N)=O)nc2)CCO1 1771536008 GHJHJORJRQHUML-CQSZACIVSA-N 486.305 2.118 30 10 JEEE N#Cc1c(NC(=O)CN2CCN(c3nnc(Cc4ccc(F)cc4)c(O)n3)CC2)sc2c1CCC2 1859431494 ZCCKEJCSGTVRMF-UHFFFAOYSA-N 493.568 2.490 30 10 JEEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1ccccc1OC 1865724511 PWRJNBZUEWWKDX-SFHVURJKSA-N 470.570 2.264 30 10 JEEE CSCC[C@@H](NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1)C(=O)N1CCN(C)CC1 1868781973 CRIBGOPLEALOLV-MOPGFXCFSA-N 463.673 2.037 30 10 JEEE C=CCn1c(C(=O)N2CCN(c3ccccc3)CC2)cc2c(N3CCN(C(C)=O)CC3)ncnc21 1873561730 WRJYLQIQASUGIH-UHFFFAOYSA-N 473.581 2.248 30 10 JEEE Cc1ccccc1N1C[C@@H](C(=O)N2CCC(OCC#CCN3CCN(C(C)C)CC3)CC2)CC1=O 1889516839 LAETTZMTOYFGMY-DEOSSOPVSA-N 480.653 2.385 30 10 JEEE COc1cccc2sc(N3CC(C(=O)N4CCC[C@H](Oc5nccnc5C#N)C4)C3)nc12 1891600109 PABQJJZLXODOOH-HNNXBMFYSA-N 450.524 2.473 30 10 JEEE C=CCN(CC(=C)Br)C(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1963788637 SLJNNYNKCLOHMY-CQSZACIVSA-N 451.383 2.334 30 10 JEEE C#CCN(C(=O)C1=C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C1)C1CCN(C(=O)OC(C)(C)C)CC1 2136313642 ZHFROXASRKCGEO-OALUTQOASA-N 463.575 2.432 30 10 JEEE C=C[C@]1(CO)COCCN1C(=O)c1cc(I)ccc1Br 2199858290 BDVHWOHUHFMLMZ-AWEZNQCLSA-N 452.086 2.443 30 10 JEEE COCCN(CCNC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2255643259 RLWILUHUOJAHIF-UHFFFAOYSA-N 455.386 2.056 30 10 JEEE CC1(C)OB(c2ccc(S(=O)(=O)NC3CN(C(=O)OCc4ccccc4)C3)cc2F)OC1(C)C 2255932903 HWSFTOJTLNNATI-UHFFFAOYSA-N 490.362 2.424 30 10 JEEE CN1CCN(c2nccc(B3OC(C)(C)C(C)(C)O3)c2F)[C@@H](CNC(=O)OC(C)(C)C)C1 2266066217 OIMPXWGTEJKNTB-HNNXBMFYSA-N 450.364 2.165 30 10 JEEE Cc1c(C(=O)N[C@H](C)CCN(C)C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267148211 ZWQWXXFMXMQJJW-CQSZACIVSA-N 450.389 2.403 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCN(S(=O)(=O)Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2267468003 HIDKVUXNMQMYHW-SFHVURJKSA-N 466.409 2.415 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@](C)(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)C1 2267536556 CUGSGJXRKKSMSM-NRFANRHFSA-N 467.397 2.198 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@](C)(CNC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C1 2267550249 WYXLZKYHHHLEJQ-OAQYLSRUSA-N 467.397 2.198 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC2(CCO)CN(C(=O)OC(C)(C)C)C2)s1 2267563777 CVIXMZSCFVQKPJ-UHFFFAOYSA-N 466.409 2.457 30 10 JEEE CC(C)(C)OC(=O)N1CCOC(C)(C)[C@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2279914711 DRNDUIJNWMLXAV-OAHLLOKOSA-N 462.356 2.129 30 10 JEEE Cn1ncc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC23CCC3)c1B1OC(C)(C)C(C)(C)O1 2281824137 IYUPZBUKTBBZJD-MRXNPFEDSA-N 460.384 2.239 30 10 JEEE CC(C)(C)OC(=O)N[C@@]12CCC[C@@]1(F)CN(C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C2 2281926257 LMHBMMXGFRKSRB-FGZHOGPDSA-N 464.347 2.320 30 10 JEEE Cc1cc(C(=O)NCC2(O)CN(C(=O)OC(C)(C)C)C2)cc(C)c1B1OC(C)(C)C(C)(C)O1 2281937164 WJLYSYFMZCFZQL-UHFFFAOYSA-N 460.380 2.314 30 10 JEEE Cn1nc(C(=O)N[C@@H]2C[C@@H](CNC(=O)OC(C)(C)C)C2(C)C)cc1B1OC(C)(C)C(C)(C)O1 2281970186 CAVKAJBYGWFCOV-GOEBONIOSA-N 462.400 2.389 30 10 JEEE C[C@@H](NC(=O)OC(C)(C)C)C1CCN(C(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)CC1 2282052926 RFUZTXNCUOIJDQ-OAHLLOKOSA-N 462.400 2.485 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H](O)C[C@@H](NC(=O)OC(C)(C)C)C2)c1 2282114464 DIVNUWDETXZKFQ-IAGOWNOFSA-N 460.380 2.394 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2CCN(C(=O)OC(C)(C)C)C2(C)C)n1 2282551414 JJKUCHVQBDGVJO-OAHLLOKOSA-N 462.400 2.485 30 10 JEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1CO 2282559484 JISVEZQCYPIOHR-DOTOQJQBSA-N 464.368 2.235 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@@]2(NC(=O)c3ncc(B4OC(C)(C)C(C)(C)O4)cn3)C[C@H]2C1 2282629429 VSFIZEYJTUWSIZ-NPMXOYFQSA-N 458.368 2.295 30 10 JEEE CC(C)(C)OC(=O)NCCO[C@H]1CCN(C(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282668763 JSBMUDAYJBEOCK-SFHVURJKSA-N 461.368 2.137 30 10 JEEE CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)C(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282677354 XYQIGXRGBRBUAP-VWLOTQADSA-N 451.376 2.090 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@]2(CCN(C(=O)c3ncncc3B3OC(C)(C)C(C)(C)O3)C2)C1 2282706571 NLVKYRRBSQXUCZ-HSZRJFAPSA-N 458.368 2.249 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H](NC(=O)c3ncncc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2282708416 MFDBNXDPIHTZMY-YQQAZPJKSA-N 458.368 2.151 30 10 JEEE COCC1(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)CN(C(=O)OC(C)(C)C)C1 2283955677 GKLMFVOCQZDRRQ-UHFFFAOYSA-N 465.331 2.342 30 10 JEEE CC(C)(C)OC(=O)NCC1(C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)CCOCC1 2283959676 PBLUWXXZWNEDQI-UHFFFAOYSA-N 481.424 2.380 30 10 JEEE CC1=C(B2OC(C)(C)C(C)(C)O2)CCN(C(=O)[C@@H]2CN(C)C(=O)CN2C(=O)OC(C)(C)C)C1 2283977484 PXDDZSSDEYGZJK-KRWDZBQOSA-N 463.384 2.244 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1COC[C@H]1C(=O)N1CCc2ccc(B3OC(C)(C)C(C)(C)O3)cc21 2284044258 YBPIPHHRQAEUTQ-MSOLQXFVSA-N 458.364 2.415 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1 2285202409 CYLJIPPOMQXZOB-RUZDIDTESA-N 451.376 2.056 30 10 JEEE COc1ccc(-n2cc(C=NNC(N)=S)c(-c3ccc4c(c3)N(C)C(=O)CO4)n2)cc1OC 2296403511 SFDYBUWLWLMMJO-UHFFFAOYSA-N 466.523 2.079 30 10 JEEE C[C@@H](C#CC(=O)NC[C@]1(O)C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C 2318687467 HIRSTIBQLARUFD-JHQQDIAJSA-N 451.564 2.312 30 10 JEEE CCOc1cccc(C=NNc2cnn([C@H]3CCS(=O)(=O)C3)c(=O)c2Br)c1 2322659821 PQSPNLLDAJVLQG-ZDUSSCGKSA-N 455.334 2.210 30 10 JEEE COc1ccc(C=CC(=O)Nc2c(C#N)nnn2-c2ccc3c(c2)C(=O)N(C)C3=O)c(OC)c1 2332188685 KMOSFGQZIALSFN-UHFFFAOYSA-N 458.434 2.034 30 10 JEEE Cn1nc(C(=O)NC[C@H]2[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2359277952 JPBONNHDZOOLCZ-MJBXVCDLSA-N 480.802 2.358 30 10 JEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)C1NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2362454938 FRYYCQYSVSLGMN-GJZGRUSLSA-N 462.400 2.341 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H](CNC(=O)OC(C)(C)C)C(F)(F)F 2362456066 MSLWLRRYYGPCQW-LBPRGKRZSA-N 476.305 2.152 30 10 JEEE C=CCn1c(=O)c(=O)n(Cc2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc2)c2ccccc21 33272759 YDVHFLUOGNRISV-UHFFFAOYSA-N 482.544 2.150 30 10 JEEE COC(=O)c1[nH]c(C)c(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(OC)cc2)c1C 102539441 HPWCNTFPVCHQDS-MBDQKHHZSA-N 497.548 2.181 30 10 JEEE CN(C)CCN1C(=O)C(=O)/C(=C(\O)c2ccc3c(c2)OCCO3)[C@@H]1c1cccc([N+](=O)[O-])c1 102724558 UHTXMHCZYGRZMU-LCPUNJGISA-N 453.451 2.349 30 10 JEEE CCCOCCN1C(=O)[C@@H]2[C@H](c3ccccc3C#N)N[C@](Cc3ccccc3)(C(=O)O)[C@@H]2C1=O 253372001 DBUKPQCIILBBLZ-YGWSKSRPSA-N 461.518 2.296 30 10 JEEE COc1ccc(OC)c(N2C(=NC(=O)c3ccc4c(c3)OCO4)S[C@@H]3CS(=O)(=O)C[C@@H]32)c1 254307594 LNHTVJZVQZZTNM-HNAYVOBHSA-N 476.532 2.348 30 10 JEEE O=S(=O)(NCC1(N(Cc2ccccc2)Cc2ccccc2)COC1)c1cncc(C#CCO)c1 705846339 VYKFJQDJFHBDOF-UHFFFAOYSA-N 477.586 2.175 30 10 JEEE C#CCN1CCN(C(=O)[C@H](CC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)CC1 757269288 MYZRUPBTKRSBDJ-QHCPKHFHSA-N 461.518 2.146 30 10 JEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CCS(=O)(=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1286385828 ZYQKDJXVBDXHFT-GOSISDBHSA-N 499.058 2.439 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1CCN1CC=CCC1)[C@H]1CCS(=O)(=O)C1 1286387513 GATUXUUCSKMQMT-IBGZPJMESA-N 490.029 2.496 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCOc1ccc(F)c(F)c1 1286519166 SFRSJHYPZCCSND-VBKZILBWSA-N 453.515 2.238 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1286552573 QWGNKVDZSALVFV-IEZWGBDMSA-N 481.022 2.445 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1286780432 SZEYGBQQJZAJEB-CQSZACIVSA-N 473.379 2.076 30 10 JEEE C=CCNC(=O)Cn1c(N2C[C@H](C)O[C@H](C3CC3)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1286792843 JYQDDCFIRXWJPH-KANFNMMFSA-N 474.606 2.355 30 10 JEEE C[C@H](CC#N)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1CCCN1CCCO 1288517981 HPBWNLJRMNZYRF-CTNGQTDRSA-N 467.622 2.037 30 10 JEEE CN(C)C(=O)C1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCO[C@H](C#N)C2)CCCC1 1297947446 APEYSYRVAFJJHW-HXUWFJFHSA-N 463.542 2.106 30 10 JEEE COc1ccc(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)C[C@@H](C)C#N)cc1Br 1300141751 BWSLHPPWGCIDRG-UONOGXRCSA-N 499.435 2.498 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CC(=O)N(CCOC)C1 1300327679 DUIGOMWAWVGHLT-QRVBRYPASA-N 474.606 2.303 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1300479919 VFBTTWFDEVZISP-GBESFXJTSA-N 465.664 2.090 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCc1ccccc1F)[C@H]1CCS(=O)(=O)C1 1300503011 ACIDXSJPWNIPKY-FQEVSTJZSA-N 470.574 2.148 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@](C)(O)C(C)C 1300579398 UVSVDKKWFYIZPT-DVECYGJZSA-N 459.591 2.456 30 10 JEEE C=C(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1300946281 WDIPMFKRQLCMGV-UHFFFAOYSA-N 474.635 2.444 30 10 JEEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cc(C)nc(C(C)C)n2)CC1 1300951051 WPWMXXDGWKLQTC-GOSISDBHSA-N 459.620 2.305 30 10 JEEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1301003188 GIZUQCKIDKOBGS-UGKGYDQZSA-N 485.585 2.263 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2cc(F)cc(F)c2C1 1301044908 NJYOZRSPBKVSAK-KRWDZBQOSA-N 473.933 2.204 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1301151779 RDWROGYCBQIQCB-JKSUJKDBSA-N 450.565 2.052 30 10 JEEE C=CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1301186849 KTVDUJAHTGIHPW-WOJBJXKFSA-N 469.590 2.169 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(NC(=O)N(C)C)cc2)C1 1301554409 GGDTYUCBUQOAIK-RBUKOAKNSA-N 453.547 2.152 30 10 JEEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCO[C@@H]2C(C)C)CC1=O 1301886822 CCNRYUHNLQNCBU-IFMALSPDSA-N 452.559 2.173 30 10 JEEE CCO[C@@]1(c2nnc(N3CCO[C@@H](c4cccc(C#N)c4)C3)n2CC(C)(C)C(=O)NC)CCOC1 1314143745 AYBBKXLQXARVJV-NLFFAJNJSA-N 482.585 2.152 30 10 JEEE COc1cc(OC)cc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCOc2ncccc2F)c1 1315353659 DFGXMMVLKXZDRG-GOSISDBHSA-N 454.462 2.304 30 10 JEEE C#CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCN(C(=O)NC)CC1 1358927130 OCELZUULZZLHDG-UHFFFAOYSA-N 462.558 2.111 30 10 JEEE C#CCCCn1c(Cc2cccnc2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 1358932001 VGCXPZDZSHZRKW-GGAORHGYSA-N 463.630 2.494 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(F)ccc2Br)n1C[C@]1(C)CN(C)C1=O 1359020341 ZNFJGKYLVNLXQI-FQEVSTJZSA-N 464.339 2.411 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H]2CCC[C@@H](O)C2)CC1 1359042652 ORJIMBJLLBYSKL-GHTZIAJQSA-N 481.597 2.479 30 10 JEEE C#CCSCCn1c(Cc2ccccc2F)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1359058702 NBNXIDZGJNARSE-UHFFFAOYSA-N 497.600 2.432 30 10 JEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](Oc2ncccc2F)C1 1359059987 GLZMAQLNAANQAY-KRWDZBQOSA-N 458.563 2.349 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1359097147 LKQIIQJFWSXBLO-DENIHFKCSA-N 455.607 2.245 30 10 JEEE C=C(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1359119593 DIDKNFIJISGHKI-IBGZPJMESA-N 454.531 2.305 30 10 JEEE C=C(C)COCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@H](CC)C1 1359128548 XKQRVVYZLGKQBR-IBGZPJMESA-N 463.604 2.403 30 10 JEEE C=CCn1c(-c2ccc(Br)s2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1359284696 GLSXQMGXYMIALU-UHFFFAOYSA-N 479.404 2.226 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCSc2c([nH]c3ccccc23)C1 1359291331 MJYNBKUUZZRTFK-UHFFFAOYSA-N 453.572 2.312 30 10 JEEE CC(C)(C)S(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1359587027 FHZFBRSTZXHIFH-QGZVFWFLSA-N 490.605 2.333 30 10 JEEE CC(=O)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N 1435454086 FISQFPHFXZBJRP-YLJYHZDGSA-N 457.506 2.326 30 10 JEEE CC(C)N1CCN(C2CCN(S(=O)(=O)c3cccc(Br)c3C#N)CC2)CC1 1463446749 HSEQAAFFVOJBJH-UHFFFAOYSA-N 455.422 2.500 30 10 JEEE C#CCC1(NC(=O)c2ccc(NS(=O)(=O)c3ccc4nc(O)[nH]c4c3)cc2)CCOCC1 1471931711 QTNWTOIYANDPRU-UHFFFAOYSA-N 454.508 2.372 30 10 JEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(F)c(OC)c2)CC1 1507562956 BTOLYNUBGZVSCV-SFHVURJKSA-N 475.590 2.458 30 10 JEEE C#CCN(c1nnc(C(C)C)n1C[C@@H](c1cccs1)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1507623429 RXMUPAFGEMPYSE-OALUTQOASA-N 477.656 2.163 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCc1c(C)cccc1C)[C@H]1CCS(=O)(=O)C1 1507631716 SDONWZHBBPYVQQ-FQEVSTJZSA-N 452.584 2.165 30 10 JEEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](c2ccccc2Cl)N(C)C)CC1 1507727211 OTNIQXQQWRKKHL-NRFANRHFSA-N 470.021 2.112 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2CCOc2ncccc2F)CC1 1507742335 HIXDAYBUAJMFHI-UHFFFAOYSA-N 492.555 2.456 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2Cc2ccc(OC)nc2)CC1 1507742800 QILWLRPBKRMGQE-UHFFFAOYSA-N 462.529 2.426 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(CC(C)C)n2C[C@@H]2CCC[C@@H]2N2CCCS2(=O)=O)C1 1508121835 AOLNGCFXSGJCQY-ZCNNSNEGSA-N 451.637 2.462 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1508130880 JEAKDTMBWFHMKV-UHFFFAOYSA-N 480.594 2.280 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@@](C)(C(N)=O)C1 1508133040 BZSCLAUYNLSYAA-HXUWFJFHSA-N 496.431 2.319 30 10 JEEE CCN(CC)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCC[C@H]2C)CC1 1515489143 GYWSXIVDSYHLHL-OAQYLSRUSA-N 478.645 2.291 30 10 JEEE CCN(CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](C(C)C)C1)S(C)(=O)=O 1515706068 GFQXFLUXMVNPLG-FQEVSTJZSA-N 460.604 2.350 30 10 JEEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H]2OCC(=O)N(CC)[C@@H]2c2nccn2C)cc1 1526774417 MMEVWLWEPHFCCE-SFTDATJTSA-N 451.527 2.161 30 10 JEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CC(C)(C)c1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1539201290 ZTMXAVUFRHAEIY-FQEVSTJZSA-N 487.601 2.258 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1539413952 PJICRZFOJMMXNL-ROUUACIJSA-N 459.513 2.259 30 10 JEEE C#CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1539506073 HKKZMKOUQYYPMZ-UHFFFAOYSA-N 484.626 2.031 30 10 JEEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2cnn(C)c2)CC1 1539526484 PEKZMWDSDDDIRH-UHFFFAOYSA-N 462.583 2.155 30 10 JEEE C=C(C)COCCn1c(-c2ccc(CC)cc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1539735986 WIOINTZKMJOJEF-UHFFFAOYSA-N 482.629 2.081 30 10 JEEE C=CCCOCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCCN(S(C)(=O)=O)CC1 1540021386 SQTLGVGHFLDKBH-UHFFFAOYSA-N 485.614 2.400 30 10 JEEE C=CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1540856896 FZVGHMZBQHXIAT-UHFFFAOYSA-N 485.536 2.319 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1540865359 COWOBWUBRUVBGT-HZPDHXFCSA-N 476.331 2.432 30 10 JEEE CNC(=O)[C@H]1CN(C(=O)Cn2cccn2)CC12CCN(c1ccc(C#N)c(C(F)(F)F)c1)CC2 1548375386 KKYQFCQZRFEVBL-LJQANCHMSA-N 474.487 2.265 30 10 JEEE CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 1554489206 GRFWHOBSDAHPNO-UHFFFAOYSA-N 479.585 2.236 30 10 JEEE C#C[C@H](NC(=O)N[C@@H]1CCS(=O)(=O)C2(CC(C(=O)OC)C2)C1)c1ccc(Cl)cc1F 1565001971 FQELDYRCJKHPDI-YDUYNIMLSA-N 456.923 2.352 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCC)c(OC)c1 1588229501 XLCHKOUVUWNJJJ-LJQANCHMSA-N 456.568 2.099 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(Br)c3)n2CCN(C)CCCOC)CC1 1588762865 OIHIPAQZUGVEOS-UHFFFAOYSA-N 475.435 2.431 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](OC)c2ccccc2)CC1 1588884825 NZEGFEDJBYKJCU-OAQYLSRUSA-N 487.564 2.279 30 10 JEEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1589047781 JDGZQXOOIXSYTE-RXVVDRJESA-N 455.632 2.019 30 10 JEEE C#CCSCCn1c(COc2ccc(F)cc2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1589117298 XCCVPLRYKYHECY-UHFFFAOYSA-N 487.601 2.438 30 10 JEEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N(C)Cc1ccc(C(=O)NC)cc1 1589442708 CLQZQWPBBFHBOW-UHFFFAOYSA-N 461.364 2.305 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCc2ccccc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1589556145 AFIKWBXDZYLKNN-CTVDGRRTSA-N 454.571 2.405 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N1CCC(C(=O)NCCOC)CC1 1589557407 HTLVXHGKVZUXRW-GMAHTHKFSA-N 468.602 2.224 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1C[C@@H](C)C[C@@H](C)C1 1589664279 WZTXFSANKYNHQQ-QHAWAJNXSA-N 482.695 2.381 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1595489358 FVYGPFVFYYWZQJ-UHFFFAOYSA-N 465.945 2.258 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCN(C(=O)C(C)C)CC1 1595489680 HYQHYHLXIYNGQW-UHFFFAOYSA-N 493.381 2.454 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1595556250 QFABSRHCXRMBAP-UHFFFAOYSA-N 476.629 2.152 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1 1595561981 JTSAVQIWUHITBD-UHFFFAOYSA-N 479.972 2.182 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCN(C)c2ccccc2)C1 1595723435 WQJHQFGMGBGGFY-FPOVZHCZSA-N 459.616 2.488 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1595728743 DJEONOKZUPPWPC-UXHICEINSA-N 463.579 2.213 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1595777906 UIORMNSPHAPENS-CVEARBPZSA-N 452.920 2.313 30 10 JEEE C=CCSCCn1c(C)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)C2(CCS(=O)(=O)CC2)C1 1595845024 LYQXCIOZWJSFPV-QGZVFWFLSA-N 485.676 2.414 30 10 JEEE CCCOc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H](C)CN2CCOCC2)cc1OC 1615006147 FVFACCZJVJCLEY-TZIWHRDSSA-N 484.601 2.440 30 10 JEEE CS(=O)(=O)c1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCC[C@H]2CCCCO2)c1 1620150224 HVKZBBQOXVCEEI-MOPGFXCFSA-N 459.572 2.427 30 10 JEEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)[C@H]1CCC(=O)N1Cc1ccc(Br)cc1 1630764553 HRVSQAIXZJJCEM-QGZVFWFLSA-N 459.348 2.208 30 10 JEEE CC#CC[C@H](CO)NC(=O)c1cccc(NC(=O)C[C@H]2SC(N3CCCCC3)=NC2=O)c1 1639839689 DQHCZEIUKGCICY-RTBURBONSA-N 456.568 2.003 30 10 JEEE C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 1641850877 CAUZBRUHTWNKHA-LJQANCHMSA-N 456.616 2.100 30 10 JEEE CN(CCN1CCN(c2ccccc2)CC1)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 1686055048 GLFRTHABFIGILZ-CTNGQTDRSA-N 456.591 2.209 30 10 JEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2c(F)ccc(F)c2C1 1689892755 MWFIDAMQDWTPJM-FQEVSTJZSA-N 479.553 2.255 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H](OC)C(C)C)[C@H]1CCS(=O)(=O)C1 1689978317 SAPXSDNEPGTUGJ-SFTDATJTSA-N 487.626 2.445 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCN1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 1689978448 VYBSQLUPDPQXGA-JOCHJYFZSA-N 496.637 2.036 30 10 JEEE C#CCN(c1nnc([C@@H]2COc3ccccc3O2)n1CC(C)(C)OCC)[C@H]1CCS(=O)(=O)C1 1689990478 PBLMEZRGIPSBJU-PXNSSMCTSA-N 474.583 2.232 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1CCn1cc(Cl)cn1)[C@H]1CCS(=O)(=O)C1 1689992627 NILWLSCJESOVFQ-SFHVURJKSA-N 476.965 2.185 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCN1CCOC[C@H]1C 1690017686 JIFYANAIIPZPMW-RTWAWAEBSA-N 470.618 2.186 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CCOC)CCCCC1 1690077444 OTXONJKBFRYSQU-LJQANCHMSA-N 467.636 2.058 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1CN(C(=O)OC(C)(C)C)C1 1690205995 DPKRSODBVORENJ-VGOFRKELSA-N 463.604 2.039 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2C)nnc1N1CCN(CC(=O)NCC)CC1 1690243231 IMKXYDFEUZQDTJ-REWPJTCUSA-N 452.603 2.493 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C(F)(F)F)n1 1690264922 GVXZRFGXAJNRLT-INIZCTEOSA-N 488.536 2.476 30 10 JEEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CNC(=O)c2ccccc2)C1 1690287967 BVWFVFLAGOCSPQ-QUCCMNQESA-N 457.600 2.403 30 10 JEEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1690508549 KWIOPABAAFHLDK-ZWKOTPCHSA-N 451.568 2.105 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 1690715855 WKCOJAVIROAXOT-QGZVFWFLSA-N 463.579 2.494 30 10 JEEE CCN1CCCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)OC)CC1 1695851984 GOEYDIOYBAKFNR-FQEVSTJZSA-N 467.574 2.492 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CCCc2nnc(C)s2)c1 1705503718 CMORFXZAWFFQJN-UHFFFAOYSA-N 492.609 2.363 30 10 JEEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1705523465 YNEBOZLXSYPALN-BIHRQFPBSA-N 486.661 2.185 30 10 JEEE C#CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](C(=O)NC)C1 1705523479 YUUDNEXCUKKCPE-ROUUACIJSA-N 460.579 2.105 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H](C)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1705563174 RXIGMHMLWFSWED-NQIIRXRSSA-N 454.600 2.174 30 10 JEEE C#CCN(c1nnc(Cn2ccc3ccccc32)n1CCC(=O)N[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1705568024 FWMNFKZIZZVRJU-FPOVZHCZSA-N 496.637 2.213 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCN1CCOCC1(C)C 1705587932 OWZLEFMFNQYPNR-BGYRXZFFSA-N 470.618 2.232 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cc2c(cc1OC)C[C@@H](C)O2 1705588128 WUSBFIHRAQMPKO-STSQHVNTSA-N 450.539 2.455 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCN2CCOC(C)(C)C2)CC1 1705636812 YVXGJQVYDCILJT-UHFFFAOYSA-N 473.021 2.473 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCN(C)C2CCCCC2)CC1 1705644720 ABVYIJRUZJFYLD-SANMLTNESA-N 486.661 2.161 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CC[C@H](C)N2CCCCC2)CC1 1705650420 QQMKCCWHUFVQPN-NRFANRHFSA-N 463.630 2.494 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCS(=O)(=O)C(C)(C)C 1705672407 WVXJELZKENILMA-XMMPIXPASA-N 482.610 2.397 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2nc(O)c(C#N)cc2C1 1705786223 JAJBYRCMHDOEJX-CQSZACIVSA-N 459.576 2.026 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCSC2(CCOCC2)C1 1705908720 URZPIGUHYGRZGI-UHFFFAOYSA-N 473.599 2.270 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC(NC(C)=O)CC1 1705934647 SMWYJCYBZIQAHQ-UHFFFAOYSA-N 484.582 2.306 30 10 JEEE Cc1cccnc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1707685762 CWCMDZIRMQZNPI-UHFFFAOYSA-N 458.570 2.215 30 10 JEEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)N2CCC[C@H](C)C2)C1 1710345510 FFLXNFXBYPXUQA-CNNODRBYSA-N 485.658 2.455 30 10 JEEE COCC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1712328968 FJMIBJGGKGUHAF-NGXZDTIWSA-N 485.585 2.291 30 10 JEEE C#CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1722309052 URAWXLALXKXOED-HXUWFJFHSA-N 472.977 2.006 30 10 JEEE C#CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC(OCC(N)=O)CC1 1722333214 IICMWTBIZSIYHV-UHFFFAOYSA-N 474.606 2.277 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@H]1N(C)CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1722365682 DXHQJCWHJUMINM-CTNGQTDRSA-N 470.643 2.396 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@]1(O)CCC[C@H]1C 1722417783 SRSDPQNHTXUJTN-HYFFOGBASA-N 463.579 2.218 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC(=O)NC2CCCCC2)CC1 1722435677 MRKPQPXJXPCORN-UHFFFAOYSA-N 466.586 2.166 30 10 JEEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC2(CCCC2)C1 1722462858 YKQNQEHSVKUMEW-SFHVURJKSA-N 467.661 2.138 30 10 JEEE C=C(C)Cn1c([C@@H]2CCCCO2)nnc1N1C[C@@H]2[C@@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1722522514 TZZVIHRNSZBDIF-OWSLCNJRSA-N 481.619 2.222 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C)on1 1722657025 OKZXYEQWXYRSGB-NRFANRHFSA-N 497.581 2.020 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(Cc2ccc(OCC)cc2)CC1 1722703306 YZGNFUUTQBFLHY-OAQYLSRUSA-N 454.575 2.153 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2cccc(C(=O)N(C)C)c2)C1 1722709345 OHKQKXGHAIPMSE-NRFANRHFSA-N 466.586 2.240 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 1722729224 GKVYMFGCTFIRTK-LJQANCHMSA-N 488.658 2.243 30 10 JEEE CN(C)C1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H](CNS(C)(=O)=O)C2)CCC1 1729326189 GZQFQIQWUPRBBO-LJQANCHMSA-N 471.631 2.067 30 10 JEEE C#CCCCn1c(N2CCN(c3nc(C)cc(OC)n3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1740597326 RYUPSIFLLDYCGK-DEOSSOPVSA-N 469.590 2.166 30 10 JEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CSCCS1 1740601579 FOLNFRVYCQALEX-OAHLLOKOSA-N 450.659 2.465 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1CC[C@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1740618895 CXNIYKXJAHMDAZ-ROUUACIJSA-N 495.001 2.039 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@H]1CCCN(CC(C)C)C1)[C@H]1CCS(=O)(=O)C1 1740624548 IADZSROGFOQVFQ-GMAHTHKFSA-N 484.670 2.259 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(OC)cc3)n2CCn2cc(C)cn2)CC1 1740707612 IYSUPHBQYLNECS-UHFFFAOYSA-N 477.569 2.037 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1740765794 CLOQCCXWPJJGST-NHCDEPBKSA-N 474.533 2.338 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2ccc(OC)c(F)c2)CC1 1740810798 GQWHPEMRHYEKRB-QGZVFWFLSA-N 483.997 2.403 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@](C)(O)c2cc(C)oc2C)CC1 1740840129 SRPIUWZDQVWDLK-OFNKIYASSA-N 493.630 2.131 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1740969106 KHHWSSADKOFIHW-VQTJNVASSA-N 487.626 2.288 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCc2ccc(Cl)nc2C1 1740992073 MGOYSHCZQFNWCI-INIZCTEOSA-N 451.980 2.384 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccccc1CN1CC[C@H](O)C1 1748689387 BMAJALVPDKCNLB-QGQQZZQASA-N 453.587 2.075 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(F)ccc2Br)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1748831078 GESSWXOQUZOTNE-OAHLLOKOSA-N 494.390 2.201 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cn2cc(Cl)cc(Cl)c2n1 1748864220 SYBUYHVKBMWZGO-CQSZACIVSA-N 494.408 2.354 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CCC2(O)CCC2)CC1 1748978556 MOSPUEUYIFRZDJ-UHFFFAOYSA-N 455.559 2.031 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1749680217 HEYXEDLMLOMIHF-UZUQRXQVSA-N 459.522 2.073 30 10 JEEE C=CCNC(=O)Cn1c(N2CCN(c3cccc(F)c3F)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1749682536 UWWQNVTUKIYSPH-XMMPIXPASA-N 490.555 2.226 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N(CC)C[C@H]1CCCO1 1749730722 OCFZDRTWJVRNLY-MRXNPFEDSA-N 472.571 2.200 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCO[C@H](c2ccc(F)cc2)C1 1749740937 LBDZSLKJDGNKNB-MOPGFXCFSA-N 450.536 2.447 30 10 JEEE C#CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1760133196 ZUSMHSPZJJRTMM-LJQANCHMSA-N 493.033 2.428 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCc1cccc(C(=O)N(C)C)c1)[C@@H]1CCS(=O)(=O)C1 1760184307 VJCYOMHCJKSEGE-OAQYLSRUSA-N 495.605 2.418 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1CCCN(C)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1760190780 YZOIHFZCQQYNNM-GOSISDBHSA-N 490.630 2.167 30 10 JEEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1C[C@]1(O)CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1760191082 AGJMQGCIIVXTAX-XLNZFTOWSA-N 488.610 2.044 30 10 JEEE C#CCN(c1nnc(COCC)n1CC1CCN(Cc2ccccc2)CC1)[C@H]1CCS(=O)(=O)C1 1760192408 IOIZHQQZAQUKKJ-QHCPKHFHSA-N 485.654 2.354 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1CCn1cc(Br)cn1 1760207395 HLEYUYRWXKOONE-UHFFFAOYSA-N 464.327 2.461 30 10 JEEE C#CCSCCn1c(-c2cccnc2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1760278797 HJTFJEQDVMTETR-HXUWFJFHSA-N 467.643 2.230 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1760313287 LWEZPZVIYGOHSG-OGWHTMIXSA-N 460.579 2.112 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C(C)C)N1CCCC1 1760336743 IEFUWJPPSHODBJ-VQTJNVASSA-N 468.668 2.134 30 10 JEEE C=CC[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)COC)CC1)c1ccccc1 1760419786 CALGFYGWKZPITQ-NRFANRHFSA-N 466.586 2.055 30 10 JEEE C=CCCCn1c(CC2CC2)nnc1N1C[C@@H]2[C@H](C1)[C@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1760443378 SQCSMHWNDIJIPL-KZNAEPCWSA-N 465.620 2.323 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCCS(=O)(=O)C1 1760482501 IDXMPLOUIQYPIW-FQEVSTJZSA-N 457.600 2.418 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@H](N2CCCCC2)C1 1760514527 IKFCYKIBDYVJAG-HXUWFJFHSA-N 486.020 2.228 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@@H]1CSC 1760515184 QLPGAUHYYCADAT-QGZVFWFLSA-N 463.007 2.496 30 10 JEEE CCN(CCc1cccs1)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1766849816 GRFZZUQXPMPKCF-QFIPXVFZSA-N 471.608 2.497 30 10 JEEE COc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@@](C)(C#N)C2)c(OC)c1 1768671184 FJPRBNYBVOLYMG-JTSKRJEESA-N 459.572 2.376 30 10 JEEE C=CCOC(=O)NS(=O)(=O)c1ccc(CNC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 1858961760 OIWSETGFRMJOHS-UHFFFAOYSA-N 464.496 2.243 30 10 JEEE C=CCNC(=O)[C@H]1C[C@H](O)CN1C(=O)c1ccc2nc(-c3ccc(OC)cc3OC)[nH]c2c1 1861419527 QRDCKIMKIGUICT-MGPUTAFESA-N 450.495 2.125 30 10 JEEE C#CCOc1cn(Cc2ccc(S(N)(=O)=O)cc2)c(CNc2cccc(NC(C)=O)c2)cc1=O 1871008320 QPDQVZPVPPBTBY-UHFFFAOYSA-N 480.546 2.127 30 10 JEEE COc1cc(/C=N/n2c(CNC(C)=O)nnc2SCC(=O)OCC(C)C)cc(Cl)c1O 1874435331 ZNFMFOCIUFESHY-QPJQQBGISA-N 469.951 2.455 30 10 JEEE C#CCNC(=O)[C@H](C)[S@](=O)CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 2019037172 HSADZLIKSYQFOS-RJEBFPHSSA-N 482.558 2.255 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)N1CCN(C(C)(C)C#N)CC1 2124622703 DVEWNTYOYYIITO-IBGZPJMESA-N 458.559 2.460 30 10 JEEE CC(C)(C)OC(=O)N[C@@]1(C(=O)Nc2ccc(C#N)c(Br)c2)CCS(=O)(=O)C1 2181105669 NJCGDGMRUNYGAQ-KRWDZBQOSA-N 458.334 2.341 30 10 JEEE CN(CCN(C)C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1)C(=O)OCc1ccccc1 2247916306 VENAAIXTYVVRFO-UHFFFAOYSA-N 456.352 2.060 30 10 JEEE COC1(CNC(=O)c2csc(B3OC(C)(C)C(C)(C)O3)c2)CN(C(=O)OC(C)(C)C)C1 2255854360 AXUQGYKLVXDEDI-UHFFFAOYSA-N 452.382 2.413 30 10 JEEE CC(C)(C)OC(=O)N1CC(F)(CNS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2255954290 WJFDAFZUCBYTEX-UHFFFAOYSA-N 476.401 2.285 30 10 JEEE Cc1sc(CNC(=O)[C@H](O)CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1C 2256623668 GMWPAESXINESLJ-CQSZACIVSA-N 454.398 2.166 30 10 JEEE CC(C)(C)OC(=O)NC1(CNC(=O)c2ccc(F)cc2B2OC(C)(C)C(C)(C)O2)COC1 2266981665 FALRWEIQBVZNDW-UHFFFAOYSA-N 450.316 2.148 30 10 JEEE CO[C@@H]1CN(C(=O)c2nc(C)sc2B2OC(C)(C)C(C)(C)O2)C[C@H]1NC(=O)OC(C)(C)C 2267165931 LKUTXZGRHOQHBA-ZIAGYGMSSA-N 467.397 2.115 30 10 JEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC1(CCOCc2ccccc2)CC1 2267716089 HUSSXZLJBJOIBG-UHFFFAOYSA-N 461.393 2.137 30 10 JEEE C=C(CS(=O)(=O)NC[C@@H]1C[C@H]2COC[C@H]2N1C(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2267721548 GRDSKONZTKAZBA-YESZJQIVSA-N 472.413 2.118 30 10 JEEE CN(Cc1sccc1B1OC(C)(C)C(C)(C)O1)C(=O)[C@@H]1C[C@H](O)CN1C(=O)OC(C)(C)C 2268637246 LJTYJQGIFQHXDL-HOCLYGCPSA-N 466.409 2.376 30 10 JEEE C[C@@H](NC(=O)CN1CC(NC(=O)OC(C)(C)C)C1)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2268648753 CWGQXXVUUGHPLQ-CQSZACIVSA-N 465.425 2.433 30 10 JEEE COC[C@H](ONC(=O)OC(C)(C)C)C(=O)Nc1nc(B2OC(C)(C)C(C)(C)O2)ccc1Cl 2268656800 AVOIBBFJTDLCQW-ZDUSSCGKSA-N 471.747 2.444 30 10 JEEE CC(C)(C)OC(=O)NCC1(CNC(=O)c2cc(F)ccc2B2OC(C)(C)C(C)(C)O2)COC1 2281790090 RJYGIYHZSHXSSE-UHFFFAOYSA-N 464.343 2.396 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)[C@@H](NC(=O)c1cc(B3OC(C)(C)C(C)(C)O3)n[nH]1)C2 2281984926 GWAHWRMFPJCPEA-JYJNAYRXSA-N 460.384 2.474 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2282005251 ORFHVEPVECRALD-OWCLPIDISA-N 460.384 2.013 30 10 JEEE CC(C)(C)OC(=O)N1CCS(=O)(=NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)CC1 2282043822 PLRJAMDBMAQNSG-UHFFFAOYSA-N 483.371 2.379 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2N(C(=O)OC(C)(C)C)CCC2(C)C)n1 2282046520 MLRQUUXXKBQHMK-INIZCTEOSA-N 462.400 2.485 30 10 JEEE Cn1cc(C(=O)N2C[C@H]3CC[C@]3(CNC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2282059631 KZEIFRKWCFQPLL-CMJOXMDJSA-N 460.384 2.096 30 10 JEEE C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CN(S(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282350944 UVJPFZMIYGSYEN-DOTOQJQBSA-N 481.424 2.305 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2C(NS(=O)(=O)c3ccc(F)cc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2282495920 SZWPXSVTKJFLFH-GJZGRUSLSA-N 482.383 2.269 30 10 JEEE Cc1c(C(=O)N[C@](C)(CNC(=O)OC(C)(C)C)C2CC2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282592778 HUXCBEDYJNOMDQ-HSZRJFAPSA-N 462.400 2.451 30 10 JEEE C[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2CN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2282626992 FRXRHDLDDKJRHZ-BZUAXINKSA-N 460.384 2.047 30 10 JEEE C[C@@H]1CN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C[C@@]1(C)CNC(=O)OC(C)(C)C 2282629712 ZHBUKLOLLZGERO-IQMFZBJNSA-N 460.384 2.399 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)[C@@H]1C1CC1 2282695420 NMUXSESMOCXSMK-WMZOPIPTSA-N 458.368 2.294 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C2(CCC2)C1 2282700973 UMKICEBRCRKHCJ-INIZCTEOSA-N 458.368 2.295 30 10 JEEE CC1(C)OB(c2ccc(C(=O)NC[C@@]3(O)CCN(Cc4ccccc4)C3)c(O)c2)OC1(C)C 2282804589 ZRADXFYYRAIXHK-VWLOTQADSA-N 452.360 2.058 30 10 JEEE CC1(C)OB(c2ccc(C(=O)NCC3CCN(C(=O)C(F)(F)F)CC3)c(O)c2)OC1(C)C 2282805702 GHNSWOCKGDAUCB-UHFFFAOYSA-N 456.270 2.222 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](NS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)C2(CC2)C1 2282840320 MPCOIVLLMBVART-HNNXBMFYSA-N 499.464 2.261 30 10 JEEE C[C@H]1C[C@H](NC(=O)C(F)(F)F)CCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1O 2282977593 DCJPDGXBFAJDCD-GXTWGEPZSA-N 456.270 2.363 30 10 JEEE Cc1nc(NC(=O)[C@]2(C)CN(C(=O)OC(C)(C)C)CCO2)ncc1B1OC(C)(C)C(C)(C)O1 2283957476 YGGMXQRDRNXJCI-QFIPXVFZSA-N 462.356 2.049 30 10 JEEE CC(C)(C)OC(=O)N[C@]1(C(=O)N2CCc3cccc(B4OC(C)(C)C(C)(C)O4)c32)C[C@H](O)C1 2284051149 KDMISPUWQKYWPX-ONEIWYMKSA-N 458.364 2.293 30 10 JEEE CN(Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)[C@@H](NC(=O)OC(C)(C)C)C1COC1 2284062618 MDVGOKRPQKULOG-IBGZPJMESA-N 460.380 2.484 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)OC(C)(C)C1 2284136672 FGZNSYINNCWASB-STQMWFEESA-N 482.412 2.049 30 10 JEEE COc1ccc2c(C=Nn3c(S)nnc(Cc4ccccc4[N+](=O)[O-])c3=O)c(C(=O)O)[nH]c2c1 2321658147 POCLYRQNSWXYQK-UHFFFAOYSA-N 480.462 2.496 30 10 JEEE CN1CCN(c2ccc(-n3nnc(C#N)c3NC(=O)C=Cc3ccc([N+](=O)[O-])cc3)cc2)CC1 2332198115 JKZYBDPQFLXBMG-UHFFFAOYSA-N 458.482 2.451 30 10 JEEE COc1nc(O[C@@H]2COCC[C@@H]2NC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2339835932 VPNZAOZRHGHIDD-JKSUJKDBSA-N 450.341 2.450 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2[C@@H]3C[C@H]3CN2C(=O)OC(C)(C)C)n1C 2362478875 PYIOQYJPZUUUMX-ARFHVFGLSA-N 460.384 2.013 30 10 JEEE CC(C)(C)OC(=O)N1CC([C@@H]2C(=O)NCCN2C(=O)C2(B3OC(C)(C)C(C)(C)O3)CCC2)C1 2379814798 ZZOLRUFRFIXYIC-MRXNPFEDSA-N 463.384 2.197 30 10 JEEE CCCCCC(=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 27639691 NTQOBLPQKXJXCZ-JWXHXBNGSA-N 480.554 2.227 30 10 JEEE C=CCn1c(CN(CCN2CCOCC2)C(=O)NC(C)C)cnc1S(=O)(=O)Cc1ccccc1 36031870 VKCPPZBXDUWFMG-UHFFFAOYSA-N 489.642 2.295 30 10 JEEE C=CCn1c(=O)c2ccc(C(=O)N[C@@H](C)CC)cc2n2c(=O)n(CC(=O)Nc3ccc(C)cc3)nc12 64581537 UKIWSAMOIICVPS-KRWDZBQOSA-N 488.548 2.472 30 10 JEEE COc1cccc([C@H]2/C(=C(/O)c3c(C)n[nH]c3C)C(=O)C(=O)N2CCCN2CCOCC2)c1 102741058 QNLOSMXEOOONFB-AGGMBTAESA-N 454.527 2.179 30 10 JEEE COc1ccc(C(=O)/C=C2\N=c3ccc(C(=O)NCc4cc(OC)ccc4OC)cc3=NC2=O)cc1 211040050 QDWAVOSJJDASDH-UCQKPKSFSA-N 485.496 2.189 30 10 JEEE Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@@](C(=O)O)([C@@H](C)O)N[C@H]3c2ccc(C#N)cc2)cc1Cl 248162789 PSYHFWMLYLYGLF-AXUIHJBUSA-N 453.882 2.174 30 10 JEEE Cn1c(=O)c2c(nc(NN=Cc3cccc(O)c3)n2Cc2ccccc2Br)n(C)c1=O 254819139 HOYUTTOTKWZBEE-UHFFFAOYSA-N 483.326 2.396 30 10 JEEE COc1ccc(N2CCCC2=O)cc1S(=O)(=O)N1CCC[C@@H](NC(=O)c2cccc(C#N)c2)C1 586074852 WFFVCROKAQUKPF-LJQANCHMSA-N 482.562 2.277 30 10 JEEE O=C(Nc1ccccc1)[C@@H]1CSCN1C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 727371744 XQZNPFKQWWJFRZ-KRWDZBQOSA-N 458.565 2.046 30 10 JEEE C[C@H](OC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H](C)c1cc2ccccc2o1 831243279 FWVOFYIRRGZFNZ-KBPBESRZSA-N 455.492 2.280 30 10 JEEE Nn1c(NN=Cc2cc(Br)ccc2O)nnc1SCC(=O)NCc1ccc(F)cc1 1084174701 DDAOUALSNBLKIB-UHFFFAOYSA-N 494.350 2.454 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(Br)cc2)n1CC1(O)CCS(=O)(=O)CC1 1286420734 IVCPCMKIXRIOHC-UHFFFAOYSA-N 491.411 2.110 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCn2cc(Br)cn2)CC1 1286474312 CNKQBNBGSPSLBG-UHFFFAOYSA-N 465.359 2.231 30 10 JEEE C#CCSCCn1c(-c2ccccc2Br)nnc1N1CCN(S(C)(=O)=O)CC1 1286498657 DDPJSVPKRAYMFU-UHFFFAOYSA-N 484.445 2.156 30 10 JEEE C=C(Br)Cn1c(N2CCC[C@@H](n3cncn3)C2)nnc1[C@@]1(OCC)CCOC1 1286549097 SRLDGMUVWCLEGE-CRAIPNDOSA-N 452.357 2.272 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C(C)(C)C)no1 1286582078 QSEJZEMFVWPZJA-QGZVFWFLSA-N 466.608 2.347 30 10 JEEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2ccc(Cl)nc2C1 1286599565 ASYUHUWOCJMCCE-CQSZACIVSA-N 454.984 2.092 30 10 JEEE C=CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1286701289 XSJCXKYBVCTNOU-IRXDYDNUSA-N 469.608 2.176 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1CCCN(C(C)=O)C1 1300307375 FQZUKJSRUXJLIF-AZUAARDMSA-N 450.591 2.169 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1Cc1cc(COC(C)(C)C)on1)[C@H]1CCS(=O)(=O)C1 1300495747 KAVVUOOPPYGFGG-SFHVURJKSA-N 463.604 2.455 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(-n2ccnc2C)nc1 1300554607 GJEMKLDJNJAXJG-UHFFFAOYSA-N 465.521 2.326 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)c1cccc(C)c1 1300578532 LTZBFDNMXGFOAS-UNMCSNQZSA-N 469.611 2.186 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CCN(C(C)C)C(C)C)CC1 1300725726 CVQLBIUWTJCNSS-UHFFFAOYSA-N 451.619 2.349 30 10 JEEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(c2cccnn2)CC1 1300751818 SIFITHXKMSESNM-UHFFFAOYSA-N 465.583 2.445 30 10 JEEE C=C(C)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1300939026 LSERVYKVPNYTGE-QGZVFWFLSA-N 466.546 2.460 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2cccc(F)c2)CC1 1300991541 UKBZSPQVDKZBLB-HXUWFJFHSA-N 477.606 2.234 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(C(=O)OCC)CC2)cc1 1301520648 KUKADAGVWZDQKP-UHFFFAOYSA-N 456.547 2.308 30 10 JEEE C=CCNS(=O)(=O)c1cccc(C(=O)Nc2cc(-c3ccc(OC)cc3)nn2CCO)c1 1306850504 WTHKOVSIHBLXIR-UHFFFAOYSA-N 456.524 2.268 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCN(C)C(C)(C)C1 1358891930 PBQNSXQYSPVMFS-VQTJNVASSA-N 489.665 2.070 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CCCCS1(=O)=O 1358900414 JWBHZKZPERGLAA-ZJPYXAASSA-N 465.620 2.474 30 10 JEEE C#CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)CCN1CCOCC1 1358927125 NYYPZUYRNNATEG-UHFFFAOYSA-N 463.586 2.418 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H](C)N(C)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1358964583 BRZKCIBELROGMS-ZJSXRUAMSA-N 492.649 2.411 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@]2(N(C)C)CCC[C@H](C)C2)CC1 1359045030 VAIBWGDCWBAQSE-HWHXTQLESA-N 456.635 2.258 30 10 JEEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1359136096 YZVNWJWALOGBNU-QHCPKHFHSA-N 485.614 2.348 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCCC[C@H](SC)C1 1359299092 UYBLFEJLIMGWJX-INIZCTEOSA-N 467.599 2.216 30 10 JEEE CC(C)(C)[S@@](=O)CCn1c(-c2cccnc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1359589244 HYDNPGDCBUCDSH-XIFFEERXSA-N 464.599 2.481 30 10 JEEE Cc1cc(C)cc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H](C)CN2CCOCC2)c1 1361035513 FBYBQAYBRMWMLG-IRLDBZIGSA-N 454.575 2.171 30 10 JEEE CC(=O)c1ccc(S(=O)(=O)NCc2ccc(C(=O)NCC3(C#N)CCOCC3)cc2)cc1 1457105274 AMNRTXNNSUCVIR-UHFFFAOYSA-N 455.536 2.418 30 10 JEEE N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCOC[C@H]2c2noc(-c3ccccc3)n2)cc1 1466792312 DKXQAHMZAYGKQH-IBGZPJMESA-N 452.492 2.123 30 10 JEEE CCO[C@@]1(c2nnc(N3CCC(C#N)CC3)n2CCNC(=O)Cc2cccc(F)c2)CCOC1 1502668167 CLQOZPUSFBAMPV-DEOSSOPVSA-N 470.549 2.168 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2C[C@@]2(O)CCSC2)c1 1507550696 PJPMIKCNDVMRFF-JPYJTQIMSA-N 455.584 2.096 30 10 JEEE C#CCN(c1nnc(-c2ccc(Br)cc2)n1CC1(C)COC1)[C@H]1CCS(=O)(=O)C1 1507628382 NYKVFASJZLHAMD-KRWDZBQOSA-N 479.400 2.371 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H](C)N(C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1507634846 NRGHRAUAYJYWBF-NFBKMPQASA-N 478.622 2.416 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CCc1ccccc1OC)[C@@H]1CCS(=O)(=O)C1 1507636081 YIRWKVUMWQDNGD-OAQYLSRUSA-N 465.579 2.142 30 10 JEEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1ccc(OC)nc1 1507656736 JQGHGCWJSXUMOX-UHFFFAOYSA-N 469.593 2.168 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1507732040 HNOMICLQWGHOTM-QHCPKHFHSA-N 464.614 2.488 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCCn2ccnc2C)CC1 1507740904 QRLGIFQBKVDUAU-UHFFFAOYSA-N 477.617 2.091 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2CC(=O)NC2CCCCC2)CC1 1507742987 USQSBEQSOLINKL-UHFFFAOYSA-N 492.624 2.292 30 10 JEEE C#CCSCCn1c(-c2ccc(Br)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1507749557 WTNUVYCIQKJSET-MRXNPFEDSA-N 464.389 2.025 30 10 JEEE C#CCSCCn1c(Cn2ccc3ccccc32)nnc1N1CCCN(S(C)(=O)=O)CC1 1507754398 XDSYULJQCIDNIP-UHFFFAOYSA-N 472.640 2.119 30 10 JEEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1507844224 FOUKBAYMDYRTKU-FQEVSTJZSA-N 454.575 2.190 30 10 JEEE C=C(Cl)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1507870082 CUFBWNXRLAZARD-OAHLLOKOSA-N 483.989 2.399 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCN(CC(F)(F)F)C2)CC1 1507904530 YRFVSCCTZQQTRL-SJORKVTESA-N 461.554 2.467 30 10 JEEE C=CCCCCn1c(COc2ccc(OC)cc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1507940894 GSSQEMJAGMLMES-UHFFFAOYSA-N 496.612 2.493 30 10 JEEE C=CCN(c1nnc(-c2ccc(OCC)c(OC)c2)n1CC1(O)CCS(=O)(=O)CC1)C1CC1 1507991244 TZNGSRUWMMCDED-UHFFFAOYSA-N 476.599 2.447 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCCN(C(C)=O)CC1 1508072043 DQZXMGFXAQJLPP-MRXNPFEDSA-N 460.966 2.432 30 10 JEEE C=CCNC(=O)Cn1c(N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1508098299 OGNUAGLJIMUTCZ-MHECFPHRSA-N 492.621 2.067 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1508143283 FZXGPQXOYQYAOE-WMZOPIPTSA-N 451.618 2.240 30 10 JEEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCOC[C@H]2CCOC2)[C@@H](C)C1 1508235382 DZRPUMXWXXJEGO-GHTZIAJQSA-N 452.559 2.317 30 10 JEEE COCCN(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2CCOCC2)CC1 1519110392 CFEKCCOVGGXCEK-UHFFFAOYSA-N 467.618 2.086 30 10 JEEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1539097463 NQCFXJGAHZFJFX-UHFFFAOYSA-N 491.614 2.245 30 10 JEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CC1([S@@](C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1539205299 GOAYPHLRPVUVCM-CQGGRAHPSA-N 467.016 2.136 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1CCNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1539210383 DMTQNWJFCJZOKJ-SFHVURJKSA-N 473.599 2.405 30 10 JEEE C#CCN(CC#CC)c1nnc(Cc2csc(C)n2)n1CC1(NC(=O)OC(C)(C)C)COC1 1539332074 FNXYVTLGVORKKO-UHFFFAOYSA-N 470.599 2.390 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2(OC)CCC(C)CC2)CC1 1539467219 PIYBEPJLVKCVAS-UHFFFAOYSA-N 493.612 2.487 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCc2sc(C)nc2C)CC1 1539482166 RJWCILJAMBLWEK-LJQANCHMSA-N 456.616 2.454 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3CC)n2C[C@H]2CCOC[C@@H]2OC)CC1 1539489186 RQOPOAIVUKYILA-VWNXMTODSA-N 495.624 2.437 30 10 JEEE C=C(C)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1539700180 RBGCTWCQHIERIY-UHFFFAOYSA-N 463.542 2.349 30 10 JEEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCN(CC(=O)N(C)C2CCCCC2)CC1 1540859796 IKMVFDBLBFUGSG-UHFFFAOYSA-N 485.658 2.369 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1540864659 HLISAIDACNTYLO-NYHFZMIOSA-N 463.485 2.233 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(c2ccnc(C)n2)CC1 1540866723 YDVRFXCZCKPSHG-UHFFFAOYSA-N 470.940 2.465 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 1540868563 JIBKXGSMCFYMTD-SIKLNZKXSA-N 462.602 2.470 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 1540902707 OSYZXXBVPLKIJW-FQEVSTJZSA-N 491.614 2.421 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCO[C@@H](c2ccco2)C1 1540905581 XMSOTVLCOZFFMJ-GOSISDBHSA-N 463.585 2.406 30 10 JEEE CC(C)(C)OC(=O)NCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1541218737 DPOYWVXCMFCKBM-MOPGFXCFSA-N 481.557 2.203 30 10 JEEE C=CCn1c(SCC(=O)N2C[C@H]3CS(=O)(=O)C[C@H]3C2)nnc1-c1ccc(Cl)cc1 1585512371 YVLKAOHOCKTBFR-GASCZTMLSA-N 452.989 2.380 30 10 JEEE C#CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1587945513 LXRJWCNHMXUWBH-CQSZACIVSA-N 482.404 2.067 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H](C)Oc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1588053954 JFTKJVSDQRUFOW-VAMGGRTRSA-N 458.584 2.185 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)cc1OCCOC 1588229012 PCFZAXXRSFTUTF-OAQYLSRUSA-N 470.595 2.025 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1nnc(C)s1 1588233898 VFQLBXFPVHZTHS-SFHVURJKSA-N 485.614 2.452 30 10 JEEE C#CCN(CCOC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CC(=O)N1CCOCC1 1588581434 QZMIGEGXIVBTNX-UHFFFAOYSA-N 480.594 2.322 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC2(OCCOC)CCOCC2)CC1 1588836401 JCARRWHYWYTXLE-UHFFFAOYSA-N 488.032 2.490 30 10 JEEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1CC[C@H](SCC)C1 1589070545 UUSMEUUFSOXVDM-SQNIBIBYSA-N 487.717 2.088 30 10 JEEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2nc(O)c3ccccc3n2)CC1 1594669282 UTZCLIFGTKYPAC-UHFFFAOYSA-N 464.574 2.354 30 10 JEEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1594669316 WECVIPTYBFCBEP-OAQYLSRUSA-N 474.569 2.240 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(c2ncccc2C#N)CC1 1595497188 SLBDSDXJHPMRTC-UHFFFAOYSA-N 494.506 2.442 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(O)(c2c(F)cccc2F)CC1 1595607657 JZEWWHFOUDLZOO-KKSFZXQISA-N 491.539 2.071 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC=C(C)C1 1595822746 JYRJRCYEXQBKAK-UHFFFAOYSA-N 484.670 2.400 30 10 JEEE Cc1nn(C)c(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)c2)c1C#N 1617078817 HSQVHWDCFQERMI-VXGBXAGGSA-N 451.936 2.304 30 10 JEEE CO[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1)C(C)(C)C 1618977856 BESVZODYLYUZHH-FQEVSTJZSA-N 462.558 2.465 30 10 JEEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 1633841744 GJHBURCTKJPEIU-ZDUSSCGKSA-N 455.462 2.194 30 10 JEEE C#C[C@H]1COCCN1C(=O)c1cc(S(=O)(=O)NCc2cccnc2)c(Cl)cc1Cl 1637715030 BKRVAHHRJKBVNV-AWEZNQCLSA-N 454.335 2.341 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCC(=O)N1CCCCC1 1689831403 KORGASRZJYHTSF-QGZVFWFLSA-N 471.631 2.407 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@@H](C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 1689992355 JWGSDLQSVDTGLF-UNMCSNQZSA-N 485.654 2.236 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCO[C@@H]1C(C)C)[C@@H]1CCS(=O)(=O)C1 1689993981 ONBYWRQUBJZHSC-FBBABVLZSA-N 477.656 2.322 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2[C@@H]2C[C@H]2CCC)CC1 1690114845 JAZFLLKZCSYMME-WIYYLYMNSA-N 456.616 2.312 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2OC)nnc1N1CCN(CC(=O)NCC)CC1 1690244521 YKWHRKBUNZRWKV-XXBNENTESA-N 468.602 2.193 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1690247550 CAFLPLJHNSIWKA-PGRDOPGGSA-N 474.631 2.105 30 10 JEEE C=C(Cl)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1690330246 DUDKJBMDRSDMJI-MRXNPFEDSA-N 451.959 2.188 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc(-c2cccn2C)n1CC1(O)CCS(=O)(=O)CC1 1690563655 ZKRCWFPQDGSNAK-UHFFFAOYSA-N 455.584 2.416 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccnc1OC 1690609631 VRADJVWWWLYALV-GOSISDBHSA-N 457.556 2.460 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](OCCC)CC1 1690663503 YUTWQTFKFMECRM-IBGZPJMESA-N 475.615 2.436 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N(C)[C@H]1CCSC1 1690668754 IBMACQYVEQMRJI-INIZCTEOSA-N 467.599 2.309 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@H]2CCCN2C[C@H]1C 1690671521 XXRRQRQNLLGJRW-VAMGGRTRSA-N 487.649 2.368 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1Cc1cccs1 1692793388 GVIKWNRAENMTAO-MRXNPFEDSA-N 471.612 2.196 30 10 JEEE CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@](C)(O)c2ccco2)CC1 1694223918 DFQGXIMRFIGIAN-NIYFSFCBSA-N 491.596 2.354 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@@H](C)SC 1694347539 HMHPITGPDFBQDX-OAHLLOKOSA-N 473.651 2.188 30 10 JEEE CCN1CCN(C[C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2C[C@H](C)O[C@@H](COC)C2)CC1 1695897192 GKMYBKZRMGQBIU-AWRGLXIESA-N 481.645 2.330 30 10 JEEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H](c2ccco2)N(CC)CC)CCOC1 1696086585 GXPDRQJJERJBOQ-SFYKDHMMSA-N 458.563 2.335 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1705499941 CGWWJBTZSJSKOW-IAGOWNOFSA-N 479.614 2.228 30 10 JEEE C#CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC(=O)N(C)C[C@@H]1C 1705516631 GJQUELBIOAGDTE-ZWKOTPCHSA-N 460.579 2.057 30 10 JEEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1705544489 RYKFHPKDQYEQAR-IRXDYDNUSA-N 489.397 2.462 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCc1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1705571276 YDQJIJVZLUNABI-GOSISDBHSA-N 474.612 2.108 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)NCc1ccco1 1705674613 MWNRXVPPCKJBJZ-UQBPGWFLSA-N 498.584 2.488 30 10 JEEE C=C(Br)Cn1c(COCC)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1705690579 APXPWXNGMYTSBC-UHFFFAOYSA-N 450.337 2.391 30 10 JEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(=O)N(C)C2CCCCC2)CC1 1705781176 RRICLIDWLUDJQD-MRXNPFEDSA-N 452.625 2.082 30 10 JEEE C=CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1)c1ccccc1 1705795486 KYIMGPAEQTVBBJ-UXHICEINSA-N 479.585 2.249 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1705896275 HPLMJESGBNULMV-CYBMUJFWSA-N 479.404 2.272 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1705898410 KQVGQQPREWHYBA-TZIWHRDSSA-N 498.628 2.200 30 10 JEEE C=CCNC(=O)Cn1c(N2CCN(c3ccccc3Cl)CC2)nnc1[C@@]1(OCC)CCOC1 1705909092 MSEGOTDBRGGECA-HSZRJFAPSA-N 474.993 2.212 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@H](CC)C1 1705933334 CKZIGPHBWHXSRG-QGZVFWFLSA-N 450.561 2.178 30 10 JEEE C=CCSCCn1c(-c2ccccc2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1705944744 QHGLYXBFSIPABH-UHFFFAOYSA-N 487.655 2.417 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(c3c(C#N)cnc4ccccc34)CC2)n1CCC(C)(C)O 1706619463 DJLSVDAMFYMOIX-UHFFFAOYSA-N 476.585 2.324 30 10 JEEE CC[C@@H](C)NC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCCO2)CC1 1708635954 AKIGMGWCONQWSB-NFBKMPQASA-N 495.628 2.335 30 10 JEEE CNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC1 1711351972 FNFADOFOKJDDRS-LJQANCHMSA-N 491.518 2.042 30 10 JEEE C#C[C@H](C)N(C)c1nnc(Cc2csc(C)n2)n1Cc1ccccc1S(=O)(=O)N(C)C 1722297806 OTSAYYNYQODUTD-HNNXBMFYSA-N 458.613 2.390 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H](OC)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1722360808 JXDKKLHFAWAQNZ-FPOVZHCZSA-N 451.552 2.355 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1CCCCOc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1722367512 NOMWZVSCRHUMND-ICSRJNTNSA-N 476.574 2.407 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1Cc1ccc(N(C)C)nc1)[C@H]1CCS(=O)(=O)C1 1722371967 ZSWMBVSIJKHZEH-NRFANRHFSA-N 494.621 2.302 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1Cc1cccc(C(=O)N(C)C)c1 1722396924 FSEPUKGGJDTQPV-UHFFFAOYSA-N 458.522 2.219 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H]1CCS(=O)(=O)C1 1722423896 SSSPFDBWMDLQPH-OAHLLOKOSA-N 452.964 2.128 30 10 JEEE C#CCN(CCOC)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc2c(c1)OCO2 1722427887 SPFUULANMDJZIJ-UHFFFAOYSA-N 453.524 2.133 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)c1nc(-c2ccccc2)no1 1722429858 WYSDEOJPTUOIJQ-PKOBYXMFSA-N 484.582 2.120 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCCO[C@H]2CCOC2)CC1 1722441290 KCNYSXMJJJZOGN-SFTDATJTSA-N 488.633 2.301 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(OC)cc3)n2CCc2cccnc2)CC1 1722450804 RIKPJJCZDFHSCL-UHFFFAOYSA-N 474.565 2.469 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H](C(C)C)N2CCCC2)CC1 1722453043 NNJCDBVHJLXAMY-VABKMULXSA-N 486.661 2.088 30 10 JEEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1722461879 IQJMLMLRNDBASB-HXUWFJFHSA-N 455.632 2.249 30 10 JEEE C=C(Br)Cn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@H](CNC(C)=O)C1 1722484980 LSUQWALQQUCJGE-CQSZACIVSA-N 470.318 2.397 30 10 JEEE C=CCCOCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCN(C(C)=O)CC1 1722624352 ATMGISDUVPOADN-UHFFFAOYSA-N 479.585 2.326 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)ccc2Br)nnc1N(C)CCn1cccn1 1722693138 DUMMCPMIULETQA-UHFFFAOYSA-N 474.363 2.351 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1722695586 ISAUAXGXOMWNIT-SFHVURJKSA-N 474.993 2.210 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 1722724207 QIVQPPIWDSTNCE-CVEARBPZSA-N 452.581 2.477 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Br)nnc1N1CC[C@@](C)(C(=O)NC)C1 1722726036 XGPACMBIZUXCAP-HXUWFJFHSA-N 496.431 2.271 30 10 JEEE CN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CSCCS1)[C@H]1CCS(=O)(=O)C1 1729368872 ATGVWUWPQLMRTL-FUHWJXTLSA-N 479.653 2.201 30 10 JEEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1740580905 KWNOWJYFTSICOA-QFIPXVFZSA-N 484.048 2.491 30 10 JEEE C#CCN(C)c1nnc(-c2ccc(OC)cc2OC)n1CCNS(=O)(=O)c1ccc(C)s1 1740603894 JNDZROPCDBYJNV-UHFFFAOYSA-N 475.596 2.380 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1CCc1ccc(OC)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1740621867 PKMMASWFVJINBS-GOSISDBHSA-N 469.542 2.357 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC1(OCC)CCCC1)[C@@H]1CCS(=O)(=O)C1 1740624768 ALZRQLRBPOJVBX-MOPGFXCFSA-N 450.605 2.496 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CCO[C@@H]1CCCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1740626483 VDSQDCCZPJMCKE-BAGYTPMASA-N 471.627 2.486 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2Cc2cccc(NC(C)=O)c2)CC1 1740704568 SQKNRIFSDZYHMB-UHFFFAOYSA-N 457.538 2.313 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCOc2ccc(S(C)(=O)=O)cc2)CC1 1740838872 AIKIFILGFHSPBI-GOSISDBHSA-N 494.639 2.065 30 10 JEEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 1740891026 OZOASZNYSCCKBH-HZPDHXFCSA-N 468.624 2.300 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CCC(N2CCNC2=O)CC1 1740964560 FBJWVVSTFRTWDR-UHFFFAOYSA-N 469.615 2.175 30 10 JEEE CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cc(C)no2)CC1 1743905789 DOLXLLLWGYNPLK-QGZVFWFLSA-N 462.558 2.198 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CN(Cc2ccccc2)CCCO1 1748635928 ZOMSSVDQGLWWID-RBBKRZOGSA-N 450.587 2.263 30 10 JEEE C#CCCCCn1c(-c2cnccn2)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1748712520 KJYMGAYAUFILEZ-NHCUHLMSSA-N 464.618 2.165 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CC(F)(F)C1(OC)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1748808578 LJFQQMUWVINYSQ-QGZVFWFLSA-N 498.552 2.304 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](OC)C1CC1 1748965145 PPSPUNWAUYIHLL-RBUKOAKNSA-N 463.579 2.098 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1748993347 WDRGSZUZCLNBRJ-IBGZPJMESA-N 462.019 2.102 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H](C)c2c(C)noc2C)CC1 1749003689 RUINIAJVCNBUFS-NSYGIPOTSA-N 484.601 2.305 30 10 JEEE C=C(C)COCCn1c(Cc2ccsc2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1749232635 RHJLBEOOMPBIHP-QGZVFWFLSA-N 456.576 2.055 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(=O)C(C)C)CC1 1749368206 DXFREEFCJCKDGC-SFHVURJKSA-N 451.637 2.477 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCN(CCOCC)CC1 1749658674 UIEBPFAKLGMJSO-UHFFFAOYSA-N 495.397 2.307 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(OC)cc2)nnc1N1C[C@H](C)OC(C)(C)C1 1749740215 SGRYKKJYTLSRDU-KRWDZBQOSA-N 464.588 2.470 30 10 JEEE C[C@@H]1SCCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)[C@H]1C 1752459860 ABQZUKIBMWRCOT-IRXDYDNUSA-N 476.628 2.094 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1760102890 UNZUXNJPJWSDTK-RTBURBONSA-N 494.621 2.475 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](c2ccc(F)cc2)C1 1760154835 JZDSFCVGEYTMSH-QUCCMNQESA-N 461.563 2.157 30 10 JEEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCCO[C@H](C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1760186180 BJOVSMQMEIYUHN-GIVPXCGWSA-N 485.610 2.024 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1Cc1cccc(C(=O)N[C@@H](C)CC)c1)[C@@H]1CCS(=O)(=O)C1 1760189278 HAVDTIBWPSSLJF-PGRDOPGGSA-N 483.638 2.434 30 10 JEEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cccc(-n2cncn2)c1 1760211793 MKEVXTWOASVYSJ-VWLOTQADSA-N 459.554 2.411 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccc(C(F)F)c2)CC1 1760270429 XGJSDQSYLZDIRE-IBGZPJMESA-N 491.564 2.132 30 10 JEEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1760275878 LVMTVJHUEWYHMV-FQEVSTJZSA-N 489.667 2.016 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](c1ccc(F)cc1)N(C)C 1760290013 URTNXTMXMFAJKG-ZWDAVXSWSA-N 462.595 2.322 30 10 JEEE C=C(Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOCC)CC1)c1ccccc1 1760363719 UVCLMQWRQFDTCX-NRFANRHFSA-N 459.616 2.052 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](c2nnc3n2CCC3)C1 1760406370 BSCBDHKPJSUECB-SJORKVTESA-N 476.651 2.412 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(c2ccnn2C)CC1 1760412440 LCMVGDSOBABNRL-FQEVSTJZSA-N 491.662 2.331 30 10 JEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(c2ccnn2C)CC1 1760428257 SAYUVXPQCKDPGX-FQEVSTJZSA-N 477.635 2.085 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1CCCC[C@@H]1C)C1CC1 1760476785 GNWMDQHQCQIOAD-ICSRJNTNSA-N 466.652 2.030 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)CN1CCOCC1 1760480657 BARMVLQPQQESCP-IRLDBZIGSA-N 473.643 2.341 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(C(N)=O)CC1 1760551452 GGFFJCLZRYVLDP-UHFFFAOYSA-N 455.943 2.040 30 10 JEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2ccc(C)cc2)CC1 1760565640 BNKWXIFAWRNJKT-FQEVSTJZSA-N 489.667 2.370 30 10 JEEE C#CCN(CC#CC)c1nnc(COc2ccc(F)cc2)n1Cc1ccc(-n2cncn2)nc1 1772516772 LOLRPNMTEXHOII-UHFFFAOYSA-N 456.485 2.483 30 10 JEEE C=CCO[C@H]1CCN(C(=O)NC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2)C(F)(F)F)C1 1772658359 BEOCARZWZWHSFV-HOTGVXAUSA-N 450.502 2.457 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)COc2cccnc2NC(=O)NCCCC(=O)O)nc1C 1858791647 INYOOYUGJOMKPB-UHFFFAOYSA-N 477.499 2.193 30 10 JEEE N#Cc1c(NC(=O)CN2CCN(c3nc(O)cc(C(F)(F)F)n3)CC2)sc2c1CCC2 1859431263 QQBTZZGEDXZOKB-UHFFFAOYSA-N 452.462 2.384 30 10 JEEE C=CCN(CC=C)C(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)c1cc(OC)c(OC)c(OC)c1 1862131061 COIXTXYAJSRRQT-OAQYLSRUSA-N 495.576 2.370 30 10 JEEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccc([N+](=O)[O-])cc1 1862609920 XZGGPDBNYNJXFW-FQEVSTJZSA-N 467.434 2.080 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)CSc3nnnn3-c3ccc(C(=O)OC)cc3)cc21 1865755279 PIWKZBQAHTVZRN-UHFFFAOYSA-N 465.491 2.335 30 10 JEEE CC(C)(C)OC(=O)NCC1(F)CC(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2124543187 OKLMPCPARDGOIE-UHFFFAOYSA-N 450.320 2.357 30 10 JEEE C#CCC[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 2230862893 QVHFDHUWDUOOKQ-SPOLIRPYSA-N 465.591 2.273 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]1CNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2247906403 ZFNYBQJYXWPIBS-GXTWGEPZSA-N 458.411 2.239 30 10 JEEE Cn1cc(C(=O)N[C@@H]2CCCN(C(=O)OCc3ccccc3)C2)nc1B1OC(C)(C)C(C)(C)O1 2255650215 OHGSJKGXRUGOCN-GOSISDBHSA-N 468.363 2.250 30 10 JEEE CC(C)(C)OC(=O)NCC1CN(S(=O)(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2255751839 DYHFZZVSJWIVMU-UHFFFAOYSA-N 452.382 2.131 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](CCC(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2256622305 FWCVNVKDEKORKC-CYBMUJFWSA-N 452.386 2.235 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](F)[C@@H](C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C1 2256639061 GANMFMKXIDBWSR-STQMWFEESA-N 455.361 2.264 30 10 JEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2267149321 LBFISAMCGNBHEL-HUUCEWRRSA-N 467.397 2.197 30 10 JEEE C=C(CS(=O)(=O)N1CC[C@@]2(CN(Cc3ccccc3)CCO2)C1)B1OC(C)(C)C(C)(C)O1 2267474674 YWPBNSSNUQPEJK-HSZRJFAPSA-N 462.421 2.481 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2CCC(OCc3ccccc3)CC2)n1 2267710579 XWBJRSSFJBOIFQ-UHFFFAOYSA-N 461.393 2.089 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)CC[C@H]1C(=O)NCc1sccc1B1OC(C)(C)C(C)(C)O1 2268786545 QRSCZXCSDGSIJF-ZBFHGGJFSA-N 466.409 2.424 30 10 JEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CCO[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2281794932 AZBWHCJMTHFPIN-DLBZAZTESA-N 462.352 2.348 30 10 JEEE Cc1c(C(=O)N2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281803566 ZBYFGHSBYYEXKS-JKSUJKDBSA-N 460.384 2.109 30 10 JEEE C[C@@H]1C[C@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)CN(C(=O)OC(C)(C)C)C1 2281971194 IJXYYNCRMCTHGE-HZPDHXFCSA-N 462.400 2.342 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H]3CC[C@@]3(NC(=O)OC(C)(C)C)C2)n1 2281997196 YMFPXVKMWGTMQR-NPMXOYFQSA-N 460.384 2.332 30 10 JEEE Cc1nc(C(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)CCN2C)c(B2OC(C)(C)C(C)(C)O2)s1 2282020683 BMIXYCCETDBCIG-HNNXBMFYSA-N 480.440 2.032 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@]23CC[C@@H](CN(C(=O)OC(C)(C)C)C2)C3)n1 2282034257 FOQDBSOHGUUSQA-IQMFZBJNSA-N 460.384 2.239 30 10 JEEE CCn1cc(C(=O)N2C[C@@H](NC(=O)OC(C)(C)C)C3(CC3)C2)nc1B1OC(C)(C)C(C)(C)O1 2282039199 RJOCHLKDRNRKKI-MRXNPFEDSA-N 460.384 2.332 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)C[C@@]12CCOC2 2282061377 KGLIIJGIKBGPCH-RCDICMHDSA-N 479.408 2.341 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)[C@H](NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C2 2282061705 OKKBCXVIBXMDOR-YQQAZPJKSA-N 460.384 2.474 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1COCCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2F)C1 2282397143 KBEAYFUOOWOQTJ-MRXNPFEDSA-N 464.343 2.491 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCCO[C@H]2[C@H]1NC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2282514471 DIKHQOCCSMKZLI-KNCOVGOOSA-N 479.408 2.243 30 10 JEEE Cc1ccnc(C(=O)N2C[C@@H](C)C[C@H](NC(=O)C(F)(F)F)C2)c1B1OC(C)(C)C(C)(C)O1 2282569918 YSAPNKPQAYBYOK-JSGCOSHPSA-N 455.286 2.218 30 10 JEEE Cn1cc(C(=O)N2CC[C@H]3CN(Cc4ccccc4)C[C@@H]3C2)c(B2OC(C)(C)C(C)(C)O2)n1 2282598504 NZBYUDINYUWPON-VQTJNVASSA-N 450.392 2.313 30 10 JEEE Cn1nc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C3(CCC3)C2)cc1B1OC(C)(C)C(C)(C)O1 2282613412 AXPCVUJDHALQCG-HNNXBMFYSA-N 460.384 2.381 30 10 JEEE CC(C)(C)OC(=O)N[C@@]12C[C@@H]1CN(S(=O)(=O)Cc1cccc(B3OC(C)(C)C(C)(C)O3)c1)C2 2282845236 PDSKKBZJVGQVLE-UZUQRXQVSA-N 478.420 2.415 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](NS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)[C@@H]2C[C@H]21 2282868815 SRVSQYFSKDJDOS-OKZBNKHCSA-N 479.408 2.057 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H](C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1)[C@@H]1CCOC1 2284039516 ISQINLDOSMXEAF-HZPDHXFCSA-N 461.368 2.497 30 10 JEEE CC1=C(B2OC(C)(C)C(C)(C)O2)CCN(C(=O)[C@]2(NC(=O)OC(C)(C)C)CCS(=O)(=O)C2)C1 2284053991 WMYIAPBRKRFSCJ-QFIPXVFZSA-N 484.424 2.249 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N1CCc2c(cccc2B2OC(C)(C)C(C)(C)O2)C1 2284065607 JMCKPGIROOCUKW-IBGZPJMESA-N 460.380 2.146 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NCCOC(C)(C)CNC(=O)OC(C)(C)C 2295773174 IJYSSHJBPPMWSP-UHFFFAOYSA-N 465.400 2.374 30 10 JEEE CC(C)(C)OC(=O)NC[C@]12C[C@H](CCN1C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)C2 2366377193 VXLBZFYWRQNHSG-GUJKFWMDSA-N 458.368 2.295 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1C[C@@H]2C[C@H]1CN2C(=O)OC(C)(C)C 2366855916 XBPIUYUJQBNXLT-JYJNAYRXSA-N 460.384 2.155 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@]2(C1)C[C@](C(=O)O)(N1CCN(Cc3ccccc3)[C@@H](C#N)C1)CO2 2373505737 VEUBZVAJJWZWII-AMDXRBSFSA-N 470.570 2.320 30 10 JEEE CCc1nnc(CN(C)C(=O)CSc2nnc(N/N=C/c3cccc4ccccc34)n2N)o1 20912969 UUDXSGSMBGMAIT-FOKLQQMPSA-N 465.543 2.287 30 10 JEEE C=CCC[C@@H](O)CN1CCN(Cc2nc(C(=O)N3CCN(c4ccc(F)cc4)CC3)co2)CC1 34677707 KUVVQYXYKPILCK-JOCHJYFZSA-N 471.577 2.221 30 10 JEEE COc1cccc(CNC(=O)CSc2n[nH]c(N/N=C/c3c(C)nn(C)c3C)n2)c1OC 59309833 CRVMSIDDWYYYGQ-LSHDLFTRSA-N 458.548 2.027 30 10 JEEE O=C(/N=C1/c2ccccc2CN1c1ncccn1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 103164295 YRDAWVMFWNZOLE-QLYXXIJNSA-N 463.519 2.105 30 10 JEEE CCOc1cc(/C=N/Nc2nc3c(c(=O)n(Cc4ccc(C)cc4)c(=O)n3C)n2C)ccc1O 606630170 KSAUPOLRWMOXDH-DHRITJCHSA-N 462.510 2.341 30 10 JEEE CN(Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1)S(=O)(=O)CCN1C(=O)c2ccccc2C1=O 704369883 UOPBIODJNNQTRH-UHFFFAOYSA-N 484.383 2.044 30 10 JEEE COc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)C(=O)NCc1ccc(C#N)cc1F 729884528 MSDOHDKLSBKRJN-UHFFFAOYSA-N 459.377 2.254 30 10 JEEE COc1ccc(N=C2S[C@H](CC(=O)Nc3cnccn3)C(=O)N2Cc2ccnc(C)n2)cn1 730721445 GDCJYMXEYIOQLE-MRXNPFEDSA-N 464.511 2.139 30 10 JEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCN([C@@H]2CCC[C@@H]2O)CC1 1142957554 GMSJXDGKXWHHDQ-SJORKVTESA-N 452.349 2.156 30 10 JEEE C=CCn1c(SCC(=O)N2CC[C@@H](NS(C)(=O)=O)C2)nnc1-c1ccc(Cl)cc1 1146283478 BOGVECWKQAUVAB-OAHLLOKOSA-N 455.993 2.027 30 10 JEEE C=C[C@H](CO)NC(=O)C1(c2ccccc2)CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 1167654475 GCBMDXRAANPXLX-QGZVFWFLSA-N 450.507 2.350 30 10 JEEE C=C(C)C[C@H](NS(=O)(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1)C(=O)OCC 1194186355 BAIWDBUTKIVRBO-IBGZPJMESA-N 458.602 2.428 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)cc1O[C@@H]1CCOC1 1286297187 ATBRDEAUUOAJQE-YSIASYRMSA-N 458.584 2.163 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCCN(CC(C)C)C1)[C@H]1CCS(=O)(=O)C1 1286386919 JWGIEMHIBWIXMJ-UXHICEINSA-N 458.632 2.268 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCc1ccc(F)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1286399000 WEIANPJLBNXTRN-UEXGIBASSA-N 494.564 2.150 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccc(C)cc1)N1CCCC1 1286409391 KXUDANNDKSQELA-XZOQPEGZSA-N 465.623 2.399 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1csc2ccccc12 1286447886 OHBQLYSZMHMZOL-SFHVURJKSA-N 459.597 2.334 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2CC(C)(C)CN(C)C)CC1 1286472246 FWSAOSRVHARISV-UHFFFAOYSA-N 462.440 2.389 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl 1286592536 KGDBRPIRMDETJO-VBQJREDUSA-N 464.419 2.207 30 10 JEEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 1286592589 MHYRAMXTRWWOGY-DLBZAZTESA-N 453.609 2.497 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@H](COC)C1 1286672703 QCLQLIDUSGREFO-OALUTQOASA-N 469.652 2.466 30 10 JEEE C=CCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(CCS(C)(=O)=O)C1CC1 1286773575 QIEBQKMATQDUQA-UHFFFAOYSA-N 456.572 2.435 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@](C)(OC)CC1 1286819716 TUGFHFFCZRJZTA-OAQYLSRUSA-N 465.576 2.002 30 10 JEEE CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCc2cnn(C)n2)C1 1294787768 BHHACWOGOYGXHH-HXUWFJFHSA-N 461.574 2.321 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@@](C)(O)[C@H](C)CC)c1 1300330904 FAIZTZSAXILLNB-MZNJEOGPSA-N 454.575 2.270 30 10 JEEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1CC1(SC)CC1)[C@H]1CCS(=O)(=O)C1 1300503872 GWEBLXRHSKQTCU-KRWDZBQOSA-N 476.624 2.388 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2CC(C)(C)C2)n1 1300681320 MTZVYSLXWDKUEK-IBGZPJMESA-N 474.631 2.099 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H](CC(C)C)N(C)C)CC1 1300708618 WUKGUSZOJNYAOK-IBGZPJMESA-N 457.648 2.001 30 10 JEEE C#CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1300743299 LRYLAMRYWSEOTK-HXUWFJFHSA-N 482.654 2.453 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@](O)(c2ccccc2F)C1 1300844293 KVEBRBDDFXGLJF-KXBFYZLASA-N 450.312 2.375 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(OC(C)C)CC1 1300876427 SRGVLAPNEUOQOV-AOIWGVFYSA-N 455.625 2.263 30 10 JEEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2cc(F)cc(C)c2C1 1300972909 ROJVPRCXVZMAPM-INIZCTEOSA-N 451.568 2.491 30 10 JEEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(c2ccccc2CO)CC1 1301509418 HDDYOMGSELPQAC-UHFFFAOYSA-N 494.621 2.448 30 10 JEEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1301509841 NWERLNBCORKIPL-HXUWFJFHSA-N 481.601 2.050 30 10 JEEE C=CCOc1ccccc1Cn1c(Cc2ccsc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1301531570 QIPZCWBHFNLAPT-HXUWFJFHSA-N 453.568 2.495 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1301577453 ONRDLGGMQDCNGW-UHFFFAOYSA-N 488.570 2.143 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@H]1CCCO[C@H]1C(C)C 1303402138 FDSRYWBNLSZKPS-UNMCSNQZSA-N 480.617 2.461 30 10 JEEE CCNC(=O)c1cccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC(C#N)CC2)c1 1313983274 GUBYQPIGPVZFOI-UHFFFAOYSA-N 458.526 2.463 30 10 JEEE COC1CCN(C(C)(C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@H](C(N)=O)C2)CC1 1315703463 CJXUPHWQBYOANJ-LJQANCHMSA-N 451.575 2.018 30 10 JEEE CS(=O)(=O)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H]1[C@@H]1CCCO1 1316344865 FNYMLBMSECVYHB-PMACEKPBSA-N 459.572 2.311 30 10 JEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCc1ccc(F)cc1Cl)[C@H]1CCS(=O)(=O)C1 1358955875 VJBINIRWFIVTSU-SFHVURJKSA-N 493.992 2.176 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CC(C)(C)COC)[C@@H]1CCS(=O)(=O)C1 1358959393 HZFKVZUABIFHPS-MRXNPFEDSA-N 451.980 2.293 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1359010246 KPDBSHBLQCGPLH-MSOLQXFVSA-N 465.620 2.287 30 10 JEEE C#CCSCCn1c(-c2ccccc2OC)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1359053630 SNBRYWKFWCNAQU-FQEVSTJZSA-N 468.627 2.063 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1359150723 FFKNZCGMPKKDAG-LSDHHAIUSA-N 460.000 2.378 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1359302151 XYFGNTSPJSLRHT-HNNXBMFYSA-N 454.472 2.383 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 1359302379 FQQUIWWVYYFQTQ-OAHLLOKOSA-N 474.612 2.077 30 10 JEEE C=CCOc1ccc(Cn2c(Cc3ccccn3)nnc2N(C)CC(=O)N2CCOCC2)cc1 1359308793 ZDKKDEAPMLSBCM-UHFFFAOYSA-N 462.554 2.172 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 1359333186 QANHXSNYLHCYLS-QGZVFWFLSA-N 464.588 2.148 30 10 JEEE COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C(C)C)N2CCCC2)CC1 1504530264 AQQTUYOUFJICHY-JOCHJYFZSA-N 465.602 2.232 30 10 JEEE C#CCCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1507559852 XBMXWGWVYZEJOX-IBGZPJMESA-N 467.599 2.404 30 10 JEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1507564303 ONZDTVKNNSUJRH-GOSISDBHSA-N 470.574 2.321 30 10 JEEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN(Cc2ccc(OC)c(F)c2)CC1 1507593687 UGOPSMQOLURCDL-UHFFFAOYSA-N 454.550 2.284 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@](C)(O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1507636976 FSJTWPVSNRDOEE-FZONSQQESA-N 466.648 2.230 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](c1ccccc1)N1CCOCC1 1507638326 ZCNBNDLWSXNSLN-JOCHJYFZSA-N 469.549 2.072 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCCOc1ccccc1)[C@H]1CCS(=O)(=O)C1 1507638565 GFIGHFJIQXLTJJ-NRFANRHFSA-N 482.610 2.236 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CCCCS1(=O)=O 1507662640 UGQPONNWHHRRKG-KRWDZBQOSA-N 478.416 2.476 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCCOC2)n1CCN1CCN(Cc2ccccc2)CC1 1507669947 VRNROWMFEDDQSZ-VWLOTQADSA-N 460.626 2.453 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ccccc1Cl 1507773501 RUFFPNZVVPXMNO-SIKLNZKXSA-N 494.017 2.336 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(N2CCN(S(=O)(=O)Cc3ccon3)CC2)nnc1C(C)(C)C 1507808502 GXVQKJBQWRGLRO-PKOBYXMFSA-N 478.619 2.197 30 10 JEEE C=C(Cl)Cn1c(-c2cnccn2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1507865479 DFUUJJGXRHMIRS-IRXDYDNUSA-N 458.998 2.114 30 10 JEEE C=CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)[C@H]1CCOC1 1508149859 DLDHZMSFYUBFSG-KRWDZBQOSA-N 451.618 2.340 30 10 JEEE CC(=O)NC[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2CCN(C(C)=O)CC2)C1 1508358868 HCWYBFCDELSVOB-QFIPXVFZSA-N 463.586 2.428 30 10 JEEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 1509951278 GECYDKYUBQEEKM-LZQZEXGQSA-N 451.531 2.133 30 10 JEEE CC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)CN(CC)CC)CC1)OC 1513452248 AFHKPVMQLAJANA-NRFANRHFSA-N 453.591 2.232 30 10 JEEE COC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2CCS(=O)(=O)CC2)C1 1517641604 GAJPVQVSBNPOMV-LJQANCHMSA-N 457.556 2.031 30 10 JEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C2CCOCC2)CC1 1539101881 LLLGZEQHPRSLPT-UHFFFAOYSA-N 457.600 2.063 30 10 JEEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1C[C@@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1539273619 ZPASGOAGLPDKAM-BHIFYINESA-N 493.612 2.237 30 10 JEEE C#CCN(CC#CC)c1nnc(COc2ccc(C#N)cc2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1539333886 NSPXIBMZOCPDMH-UHFFFAOYSA-N 499.575 2.446 30 10 JEEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1Cc1ccccc1S(=O)(=O)N(C)C 1539378345 YIRGCXFCXMEVNQ-UHFFFAOYSA-N 486.623 2.028 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CCc2ccc(OCCN(C)C)cc2)CC1 1539447904 YSJQAEAQTGWBCY-HSZRJFAPSA-N 466.630 2.110 30 10 JEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2cc(OC)c(OCC)c(OC)c2)CC1 1539459950 SOMMSOUOPLXXBE-UHFFFAOYSA-N 493.612 2.359 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2CCc2ccc(OC)c(OC)c2OC)CC1 1539462824 LKYAYIHILKBTAM-HXUWFJFHSA-N 455.559 2.153 30 10 JEEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCC(Cn2ccnn2)CC1 1539579712 OWORPCPBLBNRDN-OAHLLOKOSA-N 454.373 2.419 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(F)c(F)c1F 1540201158 OWAAYAUPTHVUNR-OAHLLOKOSA-N 458.506 2.479 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cccc(C(C)(C)O)c2)C1 1540893249 ZEUGQQSTEMIGFO-UYAOXDASSA-N 460.600 2.237 30 10 JEEE CN(C)[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1)c1ccco1 1552794743 IAFBKVSHNXQDOY-PMACEKPBSA-N 484.582 2.248 30 10 JEEE C#CCN(C(=O)c1cc(S(=O)(=O)CC)cnc1O)C1CCN(C(=O)OC(C)(C)C)CC1 1558370492 OKLGVNOVDRCSKD-UHFFFAOYSA-N 451.545 2.056 30 10 JEEE COc1ccc(S(=O)(=O)C[C@@H](C)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 1584787235 HMLZPEGZCTYKCY-IIBYNOLFSA-N 455.536 2.288 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1CCCc1nnc(C)s1)[C@H]1CCS(=O)(=O)C1 1588046162 YNNBNITWRLUNEJ-KRWDZBQOSA-N 486.623 2.373 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1588074033 HOJCYOGKPNRASN-VNTMZGSJSA-N 464.632 2.250 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CCOc2cccc(C(F)(F)F)n2)CC1 1588811206 CLBHMXICCQCDDF-QGZVFWFLSA-N 464.492 2.420 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2C[C@H](CC)N2CCCC2)CC1 1588871765 PKXLJULUTPCJGM-NRFANRHFSA-N 452.603 2.495 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](CC)c3ccccc3)n2Cc2nncn2CC)CC1 1588891194 MZDMHGNJHULCKK-NRFANRHFSA-N 460.586 2.446 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCCn2ccnn2)CC1 1588907844 HQYJNTNSFBNOBF-UHFFFAOYSA-N 452.950 2.246 30 10 JEEE C#CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@H](NC(C)=O)C1 1588976374 WFCCXQMAOHMLTL-IBGZPJMESA-N 475.018 2.333 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(N2CCCNC2=O)CC1 1589405441 REAFNIYTBHIZKK-OAHLLOKOSA-N 453.385 2.465 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1589506318 UWVGJCFSVJILEI-QRQLOZEOSA-N 461.544 2.458 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 1593746731 LWHKEWCSOMANLW-BDTNDASRSA-N 474.650 2.192 30 10 JEEE C=CCCOCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1594784440 ZTUAGQPZMKHWEN-ICSRJNTNSA-N 452.559 2.455 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc3ccccc3o2)nnc1N1CCN(C(=O)OC)CC1 1595766355 PTWYZSIFKQMTCF-UHFFFAOYSA-N 459.528 2.181 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(C)nc3ccccc23)nnc1N1CC[C@](C)(C(=O)NC)C1 1595766808 XWORGEFFRGZNRI-DEOSSOPVSA-N 482.610 2.365 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CC[C@H](CN2CCCCC2)C1 1595812268 QKKREPPFBMAHOG-OAQYLSRUSA-N 458.632 2.177 30 10 JEEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]2c2cccc(C)c2)CC1 1615208860 IYHWCMRUUPMVEK-RRPNLBNLSA-N 472.633 2.494 30 10 JEEE COc1ccc(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)cc1 1619317325 DNXWUDGIYLAKMB-PXDATVDWSA-N 499.591 2.250 30 10 JEEE CC1CCN(S(=O)(=O)c2ccc(C(=O)N3CCN(c4cnccc4C#N)CC3)s2)CC1 1628786464 FRGUVSGHYFDUQR-UHFFFAOYSA-N 459.597 2.398 30 10 JEEE CC(=O)c1ccc(S(=O)(=O)NCCC(=O)N2CC[C@@H](N(C)c3cccc(C#N)c3)C2)cc1 1631330638 IECVHERIRHGWQJ-OAQYLSRUSA-N 454.552 2.167 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@]2(C)COCCO2)c1 1689868681 OHHIOLYBWPDQNY-CLJLJLNGSA-N 497.596 2.180 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCN(C)CCCC)[C@@H]1CCS(=O)(=O)C1 1689982502 OVFSIHACTYSPIP-OAQYLSRUSA-N 454.600 2.175 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCc1ccc(Br)s1)[C@@H]1CCS(=O)(=O)C1 1689990857 SQXLRGCAGGEKGC-HUUCEWRRSA-N 499.456 2.475 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc3cccnc23)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1690040962 VJFHEYWUXIYCNM-LJQANCHMSA-N 462.579 2.238 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2CC2(C(=O)N(C)C)CCCC2)CC1 1690133405 FQPHTWGGMBBUHQ-UHFFFAOYSA-N 468.577 2.400 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCOCCC(C)C 1690206219 JYYNDAWYGZUAIJ-SIKLNZKXSA-N 467.636 2.056 30 10 JEEE C=C(Br)Cn1c([C@H]2CCOC2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1690228949 JUHALFIKYJRVAU-IRXDYDNUSA-N 481.439 2.260 30 10 JEEE C=C(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1690277093 BYQNXUQVKYZQOY-DEOSSOPVSA-N 484.557 2.362 30 10 JEEE C=C(C)COCCn1c(-c2ccc[nH]2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1690308270 HWLVBFVWMBTFNH-UHFFFAOYSA-N 477.616 2.142 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(OC)CCCCC1)C1CC1 1690545473 SCAOUORBEXQLGW-SFHVURJKSA-N 453.609 2.115 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC(CC(N)=O)CC1 1690661130 VKYCLFFMYMKUOA-GOSISDBHSA-N 454.575 2.429 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@@H](C(=O)OC)C1 1690663028 JVESLDWVOFUMRB-CYBMUJFWSA-N 478.347 2.018 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(C)(C)N2C[C@@H](C)C[C@@H](C)C2)C1 1690686661 RPNNCIIUQPQJGZ-IYWMVGAKSA-N 482.695 2.426 30 10 JEEE CCN(CC)C(=O)CCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@H](C#N)C1 1695587105 HVMKKNTWIAIVMK-LJQANCHMSA-N 487.992 2.239 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC[C@@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1705560363 GDOVOYRZIUZNNJ-PMACEKPBSA-N 473.555 2.439 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CCc1cc(C)cc(C)c1)[C@@H]1CCS(=O)(=O)C1 1705561509 QRIOYJWCKJJDAI-RDGATRHJSA-N 486.638 2.416 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@@H]1CCO[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1705564035 JTXHHVWURAVNKT-GUDVDZBRSA-N 458.584 2.396 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1ccc(C[S@](C)=O)cc1)[C@H]1CCS(=O)(=O)C1 1705564912 FNHOKZGENXGWDF-XTTQDGHVSA-N 490.651 2.073 30 10 JEEE C=C(C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(CCOC)C(=O)C1 1705724964 BZABOAMOOAVZMB-GOSISDBHSA-N 462.595 2.264 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1705905487 XGKBEHVJMVUOCM-IBGZPJMESA-N 455.950 2.136 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCc2nccc(C(F)(F)F)n2)C1 1705913985 CUZLXIGRLLSPMI-CQSZACIVSA-N 453.469 2.249 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)CC(=O)NC(C)(C)C 1705931655 WXEMYGYOSSQKMP-UHFFFAOYSA-N 485.614 2.287 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCN(CC)C(C)C)[C@H]1CCS(=O)(=O)C1 1722363711 VAGPKTUTAQFZEB-FQEVSTJZSA-N 459.616 2.311 30 10 JEEE C#CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1CC(=O)Nc1ccc(F)cc1 1722426069 XFJXLCPNXLIXCD-UHFFFAOYSA-N 461.501 2.380 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2CC[C@@](C)(CC)O2)CC1 1722434777 ZWXSGOBSXBHGNP-GBXCKJPGSA-N 471.627 2.452 30 10 JEEE C#CCN1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCSC(C)C)CC1 1722436812 GFBOPRTXYHARBU-UHFFFAOYSA-N 454.648 2.349 30 10 JEEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1722551520 AJPFGCIMZYNFSJ-WDSOQIARSA-N 497.040 2.496 30 10 JEEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1722598495 IUDLXGVACIYNMN-UHFFFAOYSA-N 451.579 2.111 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C2CC2)C(=O)C1 1722692103 XBEPAJGNDMQSMT-SFHVURJKSA-N 452.559 2.148 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC(=O)N(C)C[C@@H]1C 1722724252 RGJMOBOTYCIJLC-PKOBYXMFSA-N 475.615 2.303 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1CCN/C(O)=C1/N=CC=CC1=O 1740537687 XVMNQCOEQUCDOY-JPWUFHEYSA-N 472.347 2.030 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccc(N(C)C)c(F)c2)CC1 1740688581 GWRRRHIYEOPPPF-UHFFFAOYSA-N 455.582 2.205 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2Cc2cccnc2OCC(F)F)CC1 1740697931 JECQMMDEVBPZLG-UHFFFAOYSA-N 453.497 2.106 30 10 JEEE C=C(Br)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)CCCS(C)(=O)=O 1740744095 MKOBGUKTIHRMNW-UHFFFAOYSA-N 498.451 2.232 30 10 JEEE C=C(C)COCCn1c(-c2ccc3ccccc3n2)nnc1N(C)CC(=O)N1CCOCC1 1740789732 JLCCLVPDQRCZMJ-UHFFFAOYSA-N 450.543 2.381 30 10 JEEE C=CCC(C)(C)Cn1c(-c2ccccn2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1740846465 ZPZFMDKVHAMHCH-UHFFFAOYSA-N 484.630 2.495 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1740951771 NIXIECTWKPEGEG-MOPGFXCFSA-N 475.615 2.351 30 10 JEEE C=CCSCCn1c(C2CC2)nnc1N1C[C@@H]2[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1741001460 UZSOHHSKBZCTNM-IXDOHACOSA-N 483.660 2.201 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@H]1CCCOC1 1744086476 GGHUPELUAATFPZ-LJQANCHMSA-N 466.590 2.216 30 10 JEEE C#CCN(c1nnc(C(C)C)n1C[C@@H](CC(C)C)NC(=O)OCC)[C@@H]1CCS(=O)(=O)C1 1748801696 DPSJGXCRLCFHJL-QZTJIDSGSA-N 453.609 2.189 30 10 JEEE C#CCN(CC#CC)c1nnc(Cn2ccc3ccccc32)n1C[C@@H]1CC(=O)N(CCOC)C1 1748901435 XKLLMHCOADBIEA-OAQYLSRUSA-N 458.566 2.239 30 10 JEEE C#CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1749026585 NHOMTMBSHDXEFL-GOSISDBHSA-N 477.656 2.428 30 10 JEEE COCC1(Cn2c(COc3ccc(OC)cc3)nnc2N2CCO[C@@H](C#N)C2)CCOCC1 1749420149 BREJRVVJWRXBMY-FQEVSTJZSA-N 457.531 2.038 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC(=O)N(C)C[C@@H]1C 1749727187 PFRVKQARXDZEKN-KRWDZBQOSA-N 491.614 2.009 30 10 JEEE Cc1ccc(OCCn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@@H](C#N)C2)cc1 1751579779 AKEHQNPMXOKBDI-SFHVURJKSA-N 452.540 2.386 30 10 JEEE Cc1cccc(-c2nnc(N3CCN(c4nccnc4C#N)C[C@H]3C)n2C[C@@](C)(O)C(C)C)n1 1751621194 CFJFKGAHXLNLJG-HOYKHHGWSA-N 461.574 2.432 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCSCCCO 1760219529 HCUCUVUBXYQGPI-IBGZPJMESA-N 477.631 2.165 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1(O)CC(OCC)C1 1760232439 FHYZKFVYIWSPIR-UHFFFAOYSA-N 450.543 2.064 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CCCc2nnc(C)s2)CC1 1760271852 ORJISHIXMYORTC-UHFFFAOYSA-N 464.599 2.022 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C1CCN(CCC)CC1 1760315795 JALDCOQHJKZTCC-HBFSDRIKSA-N 468.668 2.180 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCCO2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1760335538 NYURDQXJLRBXIB-RLLQIKCJSA-N 467.636 2.361 30 10 JEEE C=C(C)Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1760348192 XQLORQBEDXULRD-FQEVSTJZSA-N 479.578 2.203 30 10 JEEE C=C(C)COCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1760360098 QLBYHTMFORVJIL-HXUWFJFHSA-N 496.612 2.029 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2csc(COC)n2)C1 1760535892 ZAHYABKHFUFXHL-MRXNPFEDSA-N 455.544 2.358 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc3cccnc23)nnc1N1CCC(CC(N)=O)CC1 1760552994 ISOUAZJMPMIPNJ-UHFFFAOYSA-N 468.583 2.186 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCN(C3CCN(C(C)C)CC3)CC2)nnc1C(C)(C)C 1760558205 IYSFCMUPYHTSDP-UHFFFAOYSA-N 466.696 2.171 30 10 JEEE CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCc2ccc(OCC(F)(F)F)nc2)CCOC1 1767482186 HREQJRYWSUOHFV-UWJYYQICSA-N 496.490 2.238 30 10 JEEE COc1ccc(OC)c(CCCn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@H](C#N)C2)c1 1770264592 DJEKDPLIJLNTNT-LJQANCHMSA-N 477.525 2.304 30 10 JEEE COC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1)OC 1770761124 GYOQCRMAORQQHF-SFTDATJTSA-N 462.558 2.373 30 10 JEEE C#CCN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC1(NC(=O)OC(C)(C)C)COC1 1772515526 YXSOAYKAOQXBFD-UHFFFAOYSA-N 463.542 2.494 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1772660444 XJRKZIRNCYSLBW-WZONZLPQSA-N 476.599 2.329 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCNC(C)=O)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1OC 1862575545 ZNDZRQWCQXMDET-HXUWFJFHSA-N 469.450 2.326 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCO)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1OC 1862578099 HSRDQNMTXCCYSC-FQEVSTJZSA-N 473.478 2.300 30 10 JEEE CC(C)(NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1)C(=O)N1CCC2(CC1)OCCO2 1868774803 RDZPLNJQUNNOJZ-SFHVURJKSA-N 460.600 2.285 30 10 JEEE C=CCOc1ccccc1OCC(=O)Nc1nc(N2CCN(CCO)CC2)nn1-c1ccc(C)cc1 1870007404 AKROZSSTRQGHCC-UHFFFAOYSA-N 492.580 2.272 30 10 JEEE Cc1cc(=O)c(OCC(=O)Nc2sc3c(c2C#N)CCC3)cn1CCCN1CCOCC1 1870089494 PIDQKGMTQPCVOA-UHFFFAOYSA-N 456.568 2.318 30 10 JEEE COCCN(CCOC)Cc1cc(=O)c(OCc2ccc(C#N)cc2)cn1CCCN1CCCC1=O 1870347420 CQDPPBODBJKTBF-UHFFFAOYSA-N 496.608 2.406 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)Nc2nnc(C)s2)cn1CCc1cnc[nH]1 1870569702 KZPHLTUVSNEMOS-UHFFFAOYSA-N 469.571 2.166 30 10 JEEE C=CCn1cc(OCC(=O)NC[C@H]2CCCO2)c(=O)cc1CNc1ccc(NC(C)=O)cc1 1870982921 HJIASLJTSITQFL-OAQYLSRUSA-N 454.527 2.279 30 10 JEEE C#CC[C@@](C)(CO)CNC(=O)c1cc(I)cc(I)c1O 2205645193 SAYVYBCGNJYEAI-CQSZACIVSA-N 499.086 2.353 30 10 JEEE Cc1cc(S(=O)(=O)N[C@H]2C[C@H]2NC(=O)OC(C)(C)C)sc1B1OC(C)(C)C(C)(C)O1 2247951505 JLSWNXIUGPAVFW-OLZOCXBDSA-N 458.411 2.300 30 10 JEEE Cc1sc(C(=O)NC[C@H](O)CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1C 2255602514 UHJVCESYTYMPRB-AWEZNQCLSA-N 454.398 2.280 30 10 JEEE C[C@H](CNC(=O)c1nn(C)c(Cl)c1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)OC(C)(C)C 2255822733 OXCLONQPVZKOFM-GFCCVEGCSA-N 456.780 2.358 30 10 JEEE CCN(C(=O)OC(C)(C)C)[C@H](C)CNC(=O)c1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C 2267503413 CVLAFBJYSJREGI-CQSZACIVSA-N 450.389 2.403 30 10 JEEE CCc1nn(C)c(C(=O)NC[C@H](C)N(C)C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267509590 YCWSMGPWBHTMBP-AWEZNQCLSA-N 450.389 2.267 30 10 JEEE C[C@H]1CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)CC[C@H]1NC(=O)C(F)(F)F 2267714754 ZZFSPUKEJJVBJN-NWDGAFQWSA-N 482.355 2.125 30 10 JEEE CC(C)(C)OC(=O)NC1[C@H]2CN(S(=O)(=O)c3ccccc3B3OC(C)(C)C(C)(C)O3)C[C@H]12 2267719519 DHFXLVNSKHPSNL-GJZGRUSLSA-N 464.393 2.129 30 10 JEEE CC1(C)OB(c2cncc(S(=O)(=O)NC[C@H]3CCN(Cc4ccccc4)C3)c2)OC1(C)C 2267721921 SMDVZQRERBFLGI-LJQANCHMSA-N 457.405 2.181 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)C1 2268725088 RPYNMSIDNWYFTG-UHFFFAOYSA-N 461.393 2.365 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@H](C(=O)N3CCC[C@@H](B4OC(C)(C)C(C)(C)O4)C3)O[C@H]2C1 2279909628 TWJUVQQGEKSBLV-VSZNYVQBSA-N 466.384 2.475 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1)[C@@H](O)C(F)(F)F 2280057707 QVWVROOYKDKNJC-ZIAGYGMSSA-N 475.273 2.136 30 10 JEEE Cc1cnc(C(=O)NC[C@H]2CN(C(=O)OCc3ccccc3)CCO2)c(B2OC(C)(C)C(C)(C)O2)c1 2281949643 LVBGBIMNGHPWKR-FQEVSTJZSA-N 495.385 2.457 30 10 JEEE Cc1nn(C)c(C(=O)N[C@@H](C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2281988677 POLQDDZUWWNXHB-HOCLYGCPSA-N 462.400 2.403 30 10 JEEE 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)sn1 2282011743 MHLWPWVPPVJJFA-WBQNTZJQSA-N 479.408 2.243 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2occc2B2OC(C)(C)C(C)(C)O2)C[C@]12CCOC2 2282036911 PADSXZPHLXECFI-CMJOXMDJSA-N 462.352 2.477 30 10 JEEE CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H]2NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2282104817 BDRMXUULGYCDIZ-MRXNPFEDSA-N 458.368 2.295 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1[C@@H]2CN(S(=O)(=O)Cc3ccccc3B3OC(C)(C)C(C)(C)O3)C[C@@H]21 2282502222 IBYJQUCDEOYMKZ-DZFIZOCASA-N 478.420 2.271 30 10 JEEE CC(C)(C)OC(=O)N(CCO)C1CCN(C(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)CC1 2282518197 DRGCYPDVJXVKAQ-UHFFFAOYSA-N 481.424 2.276 30 10 JEEE CC(C)(C)OC(=O)N1CC2(CCOCCN2C(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2282522487 LHLHSOWTSRRVBB-UHFFFAOYSA-N 479.408 2.294 30 10 JEEE CCc1nn(C)c(C(=O)N2C[C@H](NC(=O)OC(C)(C)C)C[C@@H]2C)c1B1OC(C)(C)C(C)(C)O1 2282560766 WNFJUHXXPMKHII-LSDHHAIUSA-N 462.400 2.409 30 10 JEEE Cc1nn(C)c(C(=O)N2C[C@@H]3[C@H](CCN3Cc3ccccc3)C2)c1B1OC(C)(C)C(C)(C)O1 2282565423 JOPXLGKBETXHEI-WOJBJXKFSA-N 450.392 2.374 30 10 JEEE CN(CCN1CCN(C(=O)OC(C)(C)C)CC1)C(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2282620027 ZGJMDGDGONSDEK-UHFFFAOYSA-N 480.440 2.067 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H](NC(=O)c3ncc(B4OC(C)(C)C(C)(C)O4)cn3)C[C@H]2C1 2282624034 JKAFVKZUQRBCCU-QLPKVWCKSA-N 458.368 2.151 30 10 JEEE C[C@@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2CN1C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2283062629 UFUAWTWOPTVVOK-PMPSAXMXSA-N 458.368 2.103 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C)cc1NC(=O)CNC(=O)CNC(=O)OC(C)(C)C 2283953200 QCYHIPLXMYLPTG-UHFFFAOYSA-N 461.368 2.182 30 10 JEEE C[C@@H]1OCCN(C(=O)OC(C)(C)C)[C@@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2283956240 JKFSOQNCXZZZQE-BBRMVZONSA-N 465.331 2.483 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CS(C)(=O)=O)C(=O)N1CC[C@@](C)(B2OC(C)(C)C(C)(C)O2)C1 2319669117 MKLLGBDZSVHEEB-JLTOFOAXSA-N 460.402 2.009 30 10 JEEE CCOc1ccc(C=CC(=O)[C@@H]2C[C@@H](NC(=O)CNC(=O)c3ccccc3)CCN2)cc1OC 2328106792 RQQHTUVSYXONPH-SFTDATJTSA-N 465.550 2.343 30 10 JEEE COc1ccc(OCc2nnc(SCC(N)=O)n2N=Cc2cc(OC)c(OC)cc2OC)cc1 2328369856 URJKUZKXPAIIAP-UHFFFAOYSA-N 487.538 2.351 30 10 JEEE CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)N1CC[C@H](B2OC(C)(C)C(C)(C)O2)C1 2342468132 DAHJOAVWDSEGHA-RDJZCZTQSA-N 453.389 2.347 30 10 JEEE COCCN1C(=O)/C(=C\c2c(C)c(C#N)c(=O)n(C)c2N2C[C@H](C)O[C@@H](C)C2)SC1=S 33452359 ORDSXEVMFWMMHP-PUBDWJACSA-N 462.597 2.027 30 10 JEEE C=CCN1C(=O)N[C@H](c2ccccc2Cl)C2=C1CN(CC(=O)NCCc1ccccn1)C2=O 35965324 DRSWPPGJYUUCOA-JOCHJYFZSA-N 465.941 2.443 30 10 JEEE COc1cccc(/C=N/Nc2nc(SCC(=O)NCc3cccc(OC)c3OC)n[nH]2)c1O 59016808 IGICLWMYWHRIQC-FOKLQQMPSA-N 472.527 2.391 30 10 JEEE COC(=O)c1[nH]c(C)c(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccccc2OC)c1C 103110653 CRAYPVCUEHYCRV-MBDQKHHZSA-N 497.548 2.181 30 10 JEEE COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2cccc(C)c2C)c(=O)n1Cc1ccccc1 609416634 LDDCNSFZWVIJIL-GOSISDBHSA-N 461.587 2.229 30 10 JEEE CCN1C(=O)[C@@H](CC(=O)Nc2ccc(C(C)=O)cc2)S/C1=N/Cc1ccc(S(N)(=O)=O)cc1 726402307 FCMZYRVNNGACRK-RSTPCFTMSA-N 488.591 2.385 30 10 JEEE C[C@@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2NN=C2C(=O)N(C)c3ccccc32)C[C@@H](C)O1 1083977268 RVKBJXOKBDTVHN-ZIAGYGMSSA-N 473.511 2.185 30 10 JEEE Cc1nn(C(C)C)c(C)c1C=NNc1nc(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)n[nH]1 1084438273 KOMYGEFKFOFFTN-UHFFFAOYSA-N 491.603 2.023 30 10 JEEE COc1ccc(NC(=O)CSc2nnc(NN=C(C)c3ccc4c(c3)OCO4)n2N)cc1 1084491782 XGDNMXBDTWYSFZ-UHFFFAOYSA-N 455.500 2.296 30 10 JEEE C=CCc1ccc(OCC(=O)N2CCN(C(=O)OC(C)(C)C)[C@H]3CS(=O)(=O)C[C@H]32)c(OC)c1 1158003681 AREONRWVPCDUNN-MSOLQXFVSA-N 480.583 2.047 30 10 JEEE CCOC(=O)c1c(NC(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)c(C#N)cn1CCOC 1264542752 GDYCMNQRAUKPHB-UHFFFAOYSA-N 453.904 2.492 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CC[C@H]1C[C@H](F)C1)[C@@H]1CCS(=O)(=O)C1 1286380254 BKMPLEXGVXZTND-YXTQBTIXSA-N 468.595 2.084 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCOc1ncccc1F)[C@H]1CCS(=O)(=O)C1 1286385692 YYYWIFBNXYTZLJ-IBGZPJMESA-N 480.525 2.057 30 10 JEEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@]1(O)CCO[C@@H]1C 1286412836 FEIFSJFUWNAKOW-KOSHJBKYSA-N 457.575 2.005 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCCn2ccnc21 1286460146 KUNPQFGFCRCQLD-IBGZPJMESA-N 468.583 2.209 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(OC)cc3)n2Cc2nnc(C)s2)CC1 1286493146 SRVGVACHWHMMKS-UHFFFAOYSA-N 481.582 2.040 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC(F)(F)C1 1286522581 LSYHYCNWGDXVOD-FRQCXROJSA-N 457.547 2.039 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[C@@H](OCC)C(C)C)CC1 1286663259 JRMUASVWGDQJBC-UXHICEINSA-N 469.652 2.465 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1[C@@H]1C[C@H]1CF 1286762552 IYZHAOKGTXYHJC-XUVXKRRUSA-N 463.579 2.377 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCO[C@@H](C)C1 1286815629 BZJFJRCTQJLOMH-INIZCTEOSA-N 450.561 2.178 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCCc2ccccc2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1286823315 UJQBUGFOSVJTEQ-RBUKOAKNSA-N 460.556 2.168 30 10 JEEE C=CCSCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN2CCOC[C@@H]2C1 1286825259 IAHCGILQWGCDOQ-SFHVURJKSA-N 475.615 2.411 30 10 JEEE C[C@@](O)(Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1)c1ccco1 1288895756 FMIFVCGYKBGUCZ-WZONZLPQSA-N 484.582 2.083 30 10 JEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](Nc2ccccc2)C1 1300365390 VSAAYQXULOSLRN-FGZHOGPDSA-N 486.642 2.495 30 10 JEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1300391071 FPSYPNZCAAPAOD-JOCHJYFZSA-N 497.625 2.403 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CC1([S@@](C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1300488034 AFQSHRQOKYXPLF-WWOZWPLTSA-N 460.625 2.045 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H](C1CCCCC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1300495366 GHNYFGUZENYZCZ-YPAWHYETSA-N 477.675 2.309 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H](CC(C)C)N(C)C)[C@H]1CCS(=O)(=O)C1 1300496894 VWSWKAFNYTXVBD-ZCNNSNEGSA-N 451.637 2.123 30 10 JEEE C#CCSCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCO[C@@H](CNC(C)=O)C1 1300740670 AKOOYKNUILUBQX-WMZOPIPTSA-N 461.563 2.265 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1300887733 GIDCZJXVELCQMO-RBBKRZOGSA-N 459.616 2.474 30 10 JEEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 1300928662 LJVNJMCCYLNOCO-GJZGRUSLSA-N 482.010 2.368 30 10 JEEE C=CC1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2Cc2cnn(C)c2)CC1 1301111677 BBROATGPXSTZGW-UHFFFAOYSA-N 455.588 2.380 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cn(CCCC)nc2C)CC1 1301124059 FSXZERZKGWNODX-OAQYLSRUSA-N 491.662 2.367 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](c2ccc(F)cc2F)C1 1301520405 FYZCJFDIWBYGRY-DLVCFXQMSA-N 477.512 2.160 30 10 JEEE CN1CCN(CCn2c(COc3ccc(F)cc3)nnc2N2CC[C@](F)(C#N)C2)CC1(C)C 1314930494 GMOZRFJVODUTEC-QHCPKHFHSA-N 459.545 2.464 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccc(OCCC)c1 1358890026 KEDVGKYTDRDGOX-RXVVDRJESA-N 475.615 2.100 30 10 JEEE C#CCN(C)c1nnc(CCc2ccc(OC)cc2)n1C[C@@]1(N2CCOCC2)CCSC1 1358951720 JEYJGOQFMFADPB-DEOSSOPVSA-N 455.628 2.349 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1358956537 HFVUXVASFLCOAN-YYDVJCTNSA-N 464.632 2.383 30 10 JEEE C#CCN(c1nnc(-c2noc3c2COCC3)n1CCSCC(C)C)[C@H]1CCS(=O)(=O)C1 1358962260 NBDXKPIUVGXUNB-INIZCTEOSA-N 479.628 2.022 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2cccc(COC)c2)CC1 1359041714 FVHGXAVZYSOHER-AREMUKBSSA-N 481.597 2.091 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC(C)(C)C(=O)NC)CC1 1359042540 LCHMTSQFYOFQBS-UHFFFAOYSA-N 456.978 2.337 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2Cc2ccccc2CN2CCOCC2)CC1 1359045744 ROOIZCZRTQMHJO-UHFFFAOYSA-N 478.641 2.323 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCS(=O)(=O)C1 1359071595 WDHSRNCZCHKUCW-IUKKYPGJSA-N 493.630 2.013 30 10 JEEE C=C(Br)Cn1c(C2CCC2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1359082407 HWWLBGZXNQWMKD-KDOFPFPSSA-N 451.413 2.443 30 10 JEEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1359134755 GPIOAFCXTASNOA-UHFFFAOYSA-N 468.649 2.087 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](CC)C1 1359298311 VDVGOMNJGMMDAW-SJLPKXTDSA-N 472.594 2.110 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 1359303021 BIEWDMXZUWBLJU-UHFFFAOYSA-N 497.600 2.132 30 10 JEEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1359304316 VCAINUXXRSLTQK-IBGZPJMESA-N 491.577 2.021 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@]2(O)CCOC2)C1 1359320048 KWXSXWWXUMPPDJ-NTKDMRAZSA-N 477.606 2.325 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCCO[C@@H](c2ccccc2)C1 1359331418 YJSJNDPNTZAYFC-HXUWFJFHSA-N 454.556 2.304 30 10 JEEE C#CCn1ccc(CN(CCOC)C(=O)c2c(F)ccc(S(=O)(=O)CC3CC3)c2F)n1 1459760618 YSYFWOCGOVGIQS-UHFFFAOYSA-N 451.495 2.267 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)S(=O)(=O)c2cc(Cl)cc(C(=O)OC)c2OC)c1 1462861579 PKCMILFZDNXFAH-UHFFFAOYSA-N 450.900 2.376 30 10 JEEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2cccc(CC(=O)N3CCN(C)CC3)c2)c1 1465717966 AMHHQAOHXPUTQS-UHFFFAOYSA-N 453.564 2.052 30 10 JEEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1507605168 RFTQGSKCVMCVJU-YADARESESA-N 454.575 2.057 30 10 JEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCc1cn2ccccc2n1 1507606486 NQZRWRSNMMJYJY-UHFFFAOYSA-N 463.567 2.155 30 10 JEEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1nnc2n1CCCCC2 1507623422 XHEWKKUFEHPYTM-CALCHBBNSA-N 454.579 2.484 30 10 JEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C 1507672961 KHKGFUWLENWSJI-LJQANCHMSA-N 456.591 2.413 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCCO2)n1C[C@@H]1C[C@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1507714341 NBYZKXBARXJFOD-VNTMZGSJSA-N 475.590 2.240 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H](C)N2CCN(CC)CC2)CC1 1507733019 WQQQVLSJRXQYOE-NRFANRHFSA-N 486.064 2.292 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2cccc(CN(C)CC)c2)CC1 1507739393 PMHBTEUCPONXQX-QHCPKHFHSA-N 464.614 2.248 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1ccc(C(N)=O)nc1 1507818754 YGQPMUGHYWBRDF-UHFFFAOYSA-N 458.526 2.137 30 10 JEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1507848418 XXYLDRJRJHJYQB-UHFFFAOYSA-N 459.982 2.368 30 10 JEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(SC)CCN(C)CC2)CC1 1507896799 LRZAVSGYKZQCOQ-INIZCTEOSA-N 456.682 2.118 30 10 JEEE C=CCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1507959330 LVQMHVIYYVVQFP-UHFFFAOYSA-N 472.553 2.230 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CCc1nccs1 1509687789 GAYKDJRDQUMTEB-UHFFFAOYSA-N 464.599 2.309 30 10 JEEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2oc(CC)nc2C)C1 1516021647 AOOBYYSYYKGXKS-SFHVURJKSA-N 469.571 2.242 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1CC(C)(C)OCC)[C@@H]1CCS(=O)(=O)C1 1539211868 LIZHLFDQJKTJAB-GOSISDBHSA-N 476.599 2.404 30 10 JEEE C#CCN(CC#C)c1nnc(CCc2ccc(OC)cc2)n1CC1(NC(=O)OC(C)(C)C)COC1 1539273097 KNOVPMBBHXDTND-UHFFFAOYSA-N 479.581 2.438 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H](C(C)C)N1CCOCC1 1539401086 RWJYJGNGEJBFOQ-IBGZPJMESA-N 479.423 2.479 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCC2CC(OC(C)(C)C)C2)CC1 1539467315 RFMNPTRRHRHTQW-UHFFFAOYSA-N 472.634 2.366 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CC(=O)N(CCOC)C1 1539566607 MWCFRIMBPJQLJB-CJFMBICVSA-N 462.554 2.216 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ncccc1C 1540187610 RYAVGVZPZJTNIZ-OAQYLSRUSA-N 486.598 2.191 30 10 JEEE C=CCN(CCOC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@]1(O)CCOC1 1540198877 RUHSXGOOQFAFHN-DEOSSOPVSA-N 468.558 2.026 30 10 JEEE C=CCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@H](C(=O)NCC(F)(F)F)C2)cc1 1540877917 JIEZWAAFXRDCOT-FUHWJXTLSA-N 492.502 2.347 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCCN(CC)C(=O)C1 1540905060 RGFIPRARAVMOMS-UHFFFAOYSA-N 470.599 2.010 30 10 JEEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1540913835 VBESQTQLUOLTPP-HXUWFJFHSA-N 464.599 2.003 30 10 JEEE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)CN2CCOCC2)C1 1540937894 HAYUMICJUHWKQM-UGKGYDQZSA-N 465.602 2.090 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@@H](c2nnc(N3CC[C@](F)(C#N)C3)n2CCNC(=O)C2CC2)C1 1541201132 ANTSSAHOTPEKCF-HXOBKFHXSA-N 475.569 2.361 30 10 JEEE C#CC1(O)CCN(C(=O)c2ccc(S(=O)(=O)Nc3cc([N+](=O)[O-])ccc3OC)cc2)CC1 1557602009 DFURCIJJVKUEFX-UHFFFAOYSA-N 459.480 2.005 30 10 JEEE CCOC(=O)C1=C(Cn2ncc(C(=O)OCC)c2C#N)NC(=O)N[C@@H]1c1ccc(Cl)cc1 1559392834 FZYUBOYAIUVSPJ-GOSISDBHSA-N 457.874 2.456 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1cccc(C(C)(C)O)c1)[C@H]1CCS(=O)(=O)C1 1588065058 SOBNIHRVRXIOHH-QFIPXVFZSA-N 479.606 2.166 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1Cc1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1588070347 ZDHNXKOIVGGTIY-IBGZPJMESA-N 480.550 2.009 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(F)cc2Br)n1CCCNS(C)(=O)=O 1588200655 YPGGQORBRDZFTB-UHFFFAOYSA-N 482.379 2.249 30 10 JEEE C=C(Br)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1589317668 SPYWBXYEHGZGRG-OAHLLOKOSA-N 485.364 2.280 30 10 JEEE C=CC[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC(=O)N(C)[C@@H](C)C1)c1ccccc1 1594545210 RNPKFHRPBVCBOB-SXLOBPIMSA-N 457.600 2.207 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2c(F)cc(F)c(F)c2F)C1 1595673816 JXXYZKVEHMEIMP-NEPJUHHUSA-N 477.484 2.274 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCCN(C(=O)c2ccsc2)CC1 1595784507 HMFNAKDTVDORFC-UHFFFAOYSA-N 486.623 2.355 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC(O)(Cc2ccccc2F)CC1 1595798034 LOQSDMNBVMTPHB-FQEVSTJZSA-N 492.617 2.486 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1595804955 JEDUURWZJHBZOC-FQEVSTJZSA-N 471.627 2.273 30 10 JEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC[C@H]2C[C@H]3CC[C@H]2N(C(=O)OC)C3)cc1 1665968618 DSBCFTCCMCUDPZ-GPMSIDNRSA-N 450.561 2.482 30 10 JEEE C#CCOCCNC(=O)NCCN1C(=O)S/C(=C/c2cccc(Br)c2)C1=O 1670940460 NIGIVARZYGFLSZ-NTCAYCPXSA-N 452.330 2.434 30 10 JEEE C#CCCCn1c(CCCc2ccccc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1689935577 LISIOFTYOMOOPN-UHFFFAOYSA-N 462.598 2.138 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1ccn(C)n1 1690049090 YXIRYDXUWONWQZ-HXUWFJFHSA-N 467.574 2.026 30 10 JEEE C#CCN(CC#CC)c1nnc(Cc2ccccn2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1690049879 LMWGMSPCWFRDKR-NRFANRHFSA-N 455.566 2.395 30 10 JEEE C#CCN(CCOC)c1nnc(-c2sc3ccccc3c2Cl)n1CCNS(C)(=O)=O 1690095430 PZXGSKOKDGICML-UHFFFAOYSA-N 468.004 2.448 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CC12CCOCC2 1690096707 YZMCRMZUIXKEAQ-FQEVSTJZSA-N 487.626 2.098 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2CCCc2c[nH]nc2C)CC1 1690113893 XKTMDTJGFIVMLJ-UHFFFAOYSA-N 471.407 2.466 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H](c2cccs2)N(C)C)CC1 1690146001 CSTUNFXAQKFXKG-RTBURBONSA-N 456.616 2.112 30 10 JEEE C=C(Br)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(CC(=O)N(C)C)CC1 1690230357 ZYUKVDBMTFMUCE-UHFFFAOYSA-N 483.361 2.266 30 10 JEEE C=C(Cl)Cn1c(N2CCC(CC(=O)N3CCN(CC)CC3)CC2)nnc1[C@]1(OCC)CCOC1 1690358497 BXQYHCKMLRRHAM-DEOSSOPVSA-N 495.068 2.453 30 10 JEEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 1690643705 PPBCEKGEIOYPAN-OAHLLOKOSA-N 464.979 2.270 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(c2ncccc2F)CC1 1690663009 JJXBGWRGIJDDGS-UHFFFAOYSA-N 460.517 2.370 30 10 JEEE C=CCOc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@H](C)C2)cc1 1690680269 NHSGJGBLJFRUOT-YLJYHZDGSA-N 461.588 2.070 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H]1CCc2ccccc21 1691003015 AQMWAOGWTCRKOQ-LMNJBCLMSA-N 472.615 2.327 30 10 JEEE C[C@H]1CC[C@@H](C)CN1c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CCS(=O)(=O)CC1 1693604871 HYPWQHLCAKSLRF-MSOLQXFVSA-N 473.599 2.293 30 10 JEEE COC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CCC2)C1 1697030408 BKJMDCFJUJNECK-SFHVURJKSA-N 457.556 2.173 30 10 JEEE C#CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC(S(C)(=O)=O)CC1 1705531458 KPFMWLNGKAUHPB-UHFFFAOYSA-N 468.583 2.102 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(c2ccsc2)CC1 1705534510 JYPYWTBESGUXMA-LJQANCHMSA-N 463.629 2.470 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1Cc1cc(C)on1)[C@@H]1CCS(=O)(=O)C1 1705568042 GCAJKYYBJMIJCU-LJQANCHMSA-N 455.540 2.137 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cnc(C)s1 1705582551 DDBBXRHOTAJIEF-SFHVURJKSA-N 456.572 2.473 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1CC[C@@H](C(F)F)N1CCOCC1 1705583082 PROOCTWUZADYEZ-GHTZIAJQSA-N 471.508 2.219 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2Cc2csc(COC)n2)CC1 1705636314 FSCFPIUCAYVHCM-UHFFFAOYSA-N 468.583 2.369 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCN(C)CCCC)CC1 1705640408 PZWSYGPZNJXGET-OAQYLSRUSA-N 489.665 2.074 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)c2ccc(OC)cc2)CC1 1705644141 ZCAQEMPMPBQAPP-UHFFFAOYSA-N 492.624 2.466 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2CCC(=O)NC(C)(C)C)CC1 1705651227 OHUSBKBJKAIFQF-UHFFFAOYSA-N 480.613 2.436 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cnn(C)c2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1705671849 ADLQHIUBTISTPN-FXAWDEMLSA-N 451.497 2.324 30 10 JEEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C)(c2nc(C)no2)CC1 1705680574 CJSDVUDWTGJDKK-GFCCVEGCSA-N 488.412 2.046 30 10 JEEE C=C(Br)Cn1c(Cc2ccccc2F)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1705687982 LCANUWIODUSNQE-UHFFFAOYSA-N 477.338 2.437 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N1CCc2ccccc2C1 1705884650 UYOLKQZWXZLPMD-KNQAVFIVSA-N 473.643 2.266 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@H](C(F)(F)F)C1 1705898716 VKSINLUYZCVMIO-HNNXBMFYSA-N 461.452 2.002 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CCN2[C@@H](C)CC[C@@H]2C)CC1 1705903840 WELQIZHMSIDTIE-SFTDATJTSA-N 476.629 2.114 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@]2(CCCOC2)C1 1705931618 VRABWQCSVOKSTD-NRFANRHFSA-N 461.544 2.461 30 10 JEEE CC(C)NC(=O)c1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1C[C@@H](C)CN1CCOCC1 1706820290 CQXRVHRRNYSJFR-IBGZPJMESA-N 465.602 2.425 30 10 JEEE CC[C@@H](C)c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CCCn1cc(CO)nn1 1708554943 DFFVLJZDQRLDLX-DYESRHJHSA-N 450.547 2.415 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1C[C@H]1NC(=O)CC1(C)C)[C@H]1CCS(=O)(=O)C1 1722360791 WECLYZWQNPZQAB-VQTJNVASSA-N 469.611 2.049 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1cccc(C(F)(F)F)n1)[C@H]1CCS(=O)(=O)C1 1722365937 GISXAELTXFSDQL-RDJZCZTQSA-N 483.516 2.261 30 10 JEEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(=C)Br 1722425142 OJHZTDWIDXCGNU-UHFFFAOYSA-N 467.393 2.233 30 10 JEEE C#CCN1CCN(c2nnc(Cn3ccc4ccccc43)n2CCS(=O)(=O)C(C)(C)C)CC1 1722442413 ZSDNQDYBIIVEJK-UHFFFAOYSA-N 468.627 2.250 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2ccc(F)c(F)c2)C1 1722459811 RTVYFCXQEQDNMM-QFBILLFUSA-N 482.578 2.403 30 10 JEEE C=CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@@H](CC(N)=O)C1 1722737353 CEAPXTAXVCRBCZ-INIZCTEOSA-N 477.660 2.249 30 10 JEEE CC(C)(C)c1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CC1(C(N)=O)CCOCC1 1722909179 HXRIGVHTCYZWTF-UHFFFAOYSA-N 465.602 2.446 30 10 JEEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC[C@H](C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1740622448 CWKSKCAPIJKNOC-SXLOBPIMSA-N 455.584 2.050 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccc(OCC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1740629000 YDPQIQVOSRCKNB-UYAOXDASSA-N 474.583 2.212 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](C)Oc2ccc(Cl)cc2)CC1 1740705402 GFFOHKAXNWEXEX-OXQOHEQNSA-N 484.988 2.316 30 10 JEEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H](C(=O)NC)C1 1740711535 PIYGBQQQIAIPBO-CYBMUJFWSA-N 451.394 2.365 30 10 JEEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(F)(F)C1 1740711671 QUSFKVZUTQOQMQ-UHFFFAOYSA-N 455.556 2.407 30 10 JEEE C#CCSCCn1c(-c2ccc3ccccc3n2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1740713485 GDBOPYVCUXVNGW-GOSISDBHSA-N 470.624 2.378 30 10 JEEE C#CCSCCn1c(N2CCN(C(=O)C(=O)NC(C)C)CC2)nnc1C1(c2ccccc2)CCC1 1740722306 DKCYOCWLKKVDOV-UHFFFAOYSA-N 494.665 2.288 30 10 JEEE C=CCN(Cc1cccs1)c1nnc(Cc2cccnc2)n1CC1(O)CCS(=O)(=O)CC1 1740923972 BACWGLWIWNCFDD-UHFFFAOYSA-N 473.624 2.458 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](COc2ccccc2)C1 1740951706 LSZHKOXFQAHQDU-SFHVURJKSA-N 461.526 2.133 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(CC)[C@@H](C)C1 1740986475 YRHHJVIGUHECOQ-IBGZPJMESA-N 474.631 2.278 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Br)c2)nnc1N(C)CCN1CCOCC1 1740986804 HQQWSWBZYIGFQI-UHFFFAOYSA-N 498.447 2.077 30 10 JEEE CC(=O)Nc1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@H](C)[C@H](C)S(C)(=O)=O)cn1 1741062642 BXVPWKIJQVGQFY-CVEARBPZSA-N 481.582 2.476 30 10 JEEE CN(C)S(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CCC(C)(C)C)CC1 1747602872 AEHXCUWJWQTMNN-UHFFFAOYSA-N 473.647 2.266 30 10 JEEE C#CCCCn1c(COc2ccc(F)cc2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1748761371 VWLVLLFBMJINHJ-GOSISDBHSA-N 454.550 2.199 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCSC1)[C@H]1CCS(=O)(=O)C1 1748808662 FQXNDSADJGBXLB-ZBFHGGJFSA-N 452.005 2.373 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1Cc1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1748810612 YKBJNYUBWVFLDL-LJQANCHMSA-N 450.524 2.097 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1CCSCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1748812734 ZMRYVESWWXMSFT-CQSZACIVSA-N 459.519 2.262 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1cccnc1OCC 1748876414 FAYPSUHQLZZAJV-UHFFFAOYSA-N 453.510 2.226 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCC(=O)NC(C)(C)C 1748886531 GLQJXFQVZXGETA-UHFFFAOYSA-N 473.581 2.443 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C)cc2OCCOCC)CC1 1748971513 STMQDKOHVFLKHO-UHFFFAOYSA-N 480.613 2.041 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCOc2ccc(C)cc2)CC1 1748973046 VQXLPQOMILIFNW-UHFFFAOYSA-N 459.554 2.458 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CC(CC)(CC)SC)CC1 1749001531 VRPFJFSXRQBABM-UHFFFAOYSA-N 460.648 2.402 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2Cc2cccc(CSC)c2)CC1 1749015314 CMAXKSRPYZZGML-UHFFFAOYSA-N 480.638 2.278 30 10 JEEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(CC(C)C)CC1 1749024543 UOUSSLSDOIJOQV-UHFFFAOYSA-N 490.699 2.340 30 10 JEEE C#CCSCCn1c(N2CCN(c3ccc(O)cc3)CC2)nnc1[C@@]1(OCC)CCOC1 1749049896 RIMJUGYVEDSIMZ-HSZRJFAPSA-N 457.600 2.329 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](C(=O)NC)C1 1749135036 BKKSNJMALBMKRB-ZWOKBUDYSA-N 472.615 2.213 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)NC2CCCCC2)CC1 1749226711 UKOHLKQJEPXRMC-FQEVSTJZSA-N 458.607 2.487 30 10 JEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCC(CN2C[C@H](C)O[C@H](C)C2)CC1 1749234845 KABZNNRYLQNSGD-OYRHEFFESA-N 474.650 2.319 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc(-c2cnccn2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1749538467 JWJXFFZFQIISCP-LJQANCHMSA-N 453.572 2.209 30 10 JEEE C=CCn1c(C(=O)NC(CC)CC)nnc1N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 1749604245 FKAKVVIATHLTNP-UHFFFAOYSA-N 457.554 2.282 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CCCN(C(C)=O)CC1 1749664348 LBNPDJDNOXULPG-UHFFFAOYSA-N 461.364 2.068 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(COc3cccc(C)c3)n2CCN2CCN(C(C)=O)CC2)C1 1749718452 VSCSURVKPGRPFF-QHCPKHFHSA-N 468.602 2.111 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1750060338 GOKNBKHFPOTESP-FPOVZHCZSA-N 474.569 2.422 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1CCN(C(=O)OC)CC1 1760103028 XCKGPYCQSQMCAV-MRXNPFEDSA-N 459.572 2.285 30 10 JEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN([C@H](C)c2ccsc2)CC1 1760145511 QCBLFAIADMSFFH-DLBZAZTESA-N 450.634 2.246 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@]1(O)CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1760180916 MZVPYIILSJIXQV-RGZWJVDOSA-N 488.610 2.140 30 10 JEEE C#CCSCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1760285068 WTZVCQIEEBAMCZ-FQEVSTJZSA-N 482.610 2.313 30 10 JEEE C#CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CC[C@H](N2CCCC2=O)C1 1760285923 UYHZNGYFOMXXJL-SFHVURJKSA-N 455.584 2.433 30 10 JEEE C=C(C)Cn1c(N2CCN(CC(=O)N[C@@H]3CCC[C@H](C)C3)CC2)nnc1[C@@]1(OCC)CCOC1 1760349572 QCOOYJKZDYOTEI-BPYKYCOYSA-N 474.650 2.323 30 10 JEEE C=C(C)COCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN2C(=O)NC[C@H]2C1 1760353392 QIWLNBQUYATNIH-SFHVURJKSA-N 456.547 2.159 30 10 JEEE C=CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1760422343 FXJLKSNRBUSCFI-GOSISDBHSA-N 481.644 2.175 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cn(C)c3ccccc23)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1760552522 QUURUBWPLNPGLY-DLBZAZTESA-N 493.655 2.295 30 10 JEEE CCCN1CC[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(OCC(N)=O)CC2)C1 1766078696 HAVMHENWYXMBBM-LJQANCHMSA-N 451.575 2.019 30 10 JEEE CS(=O)(=O)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1771354777 HVPFHGXCRDRFTC-RTBURBONSA-N 459.572 2.026 30 10 JEEE COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2CCCO)cc1 1862574600 RKDFJAXOPHVZFU-FQEVSTJZSA-N 455.463 2.451 30 10 JEEE N#Cc1cccnc1OC1CCN(C(=O)CNS(=O)(=O)c2ccc(Br)cc2)CC1 1892002156 VYGUVGLQNBNHJV-UHFFFAOYSA-N 479.356 2.064 30 10 JEEE COc1ccc(N2CCN(C(=NCCSc3ccccc3)NC[C@H]3COCCO3)CC2)nc1 2087917969 LKYWDPZEECVXCB-NRFANRHFSA-N 471.627 2.366 30 10 JEEE CC(C)(C)OC(=O)NCc1cn(C2CN(c3ccc(B4OC(C)(C)C(C)(C)O4)cn3)C2)nn1 2241054754 OPGUKFQTQVGGEE-UHFFFAOYSA-N 456.356 2.058 30 10 JEEE CC1(C)OB(c2ccc(C(=O)NC3CN(C(=O)OCc4ccccc4)C3)c(O)c2)OC1(C)C 2247969063 ZLJUHRGZCXKPRU-UHFFFAOYSA-N 452.316 2.442 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H]1CNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2255795947 KKBJAGQRLMLILI-ZIAGYGMSSA-N 472.438 2.486 30 10 JEEE CN(C[C@H](O)CNC(=O)OC(C)(C)C)C(=O)c1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2266976019 NQWUCNCUQKHPMD-OAHLLOKOSA-N 452.332 2.083 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CNS(=O)(=O)c3sccc3B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2267370020 FSMMPTOLMAXGNH-QKDCVEJESA-N 484.449 2.439 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1CN2S(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2267376421 VNUVQOWUMDQQEW-IRXDYDNUSA-N 464.393 2.368 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N(CCC(C)(C)O)Cc1ccccc1 2267411129 UQMYCBZXCFVJNC-UHFFFAOYSA-N 463.409 2.071 30 10 JEEE C=C(CS(=O)(=O)N[C@H]1CN(C(=O)OC(C)(C)C)[C@]2(CCOC2)C1)B1OC(C)(C)C(C)(C)O1 2267469524 WZKMYWRXQNXNQA-IIBYNOLFSA-N 472.413 2.262 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H](NS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2267473548 HPICFVZJWJDBRV-KGLIPLIRSA-N 487.453 2.308 30 10 JEEE CC1(C)OB(c2cnccc2C(=O)N[C@H]2CCOC[C@H]2NC(=O)OCc2ccccc2)OC1(C)C 2267479916 RSBYTHBJIRPNHI-LEWJYISDSA-N 481.358 2.195 30 10 JEEE CC[C@](C)(CNC(=O)OC(C)(C)C)N(C)C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2267493324 YVRKWGQHFTYJAR-JOCHJYFZSA-N 450.389 2.485 30 10 JEEE C[C@H](NC(=O)c1nn(C)c(Cl)c1B1OC(C)(C)C(C)(C)O1)C1CN(C(=O)OC(C)(C)C)C1 2267495417 ZYLCJJWXCDIXKU-LBPRGKRZSA-N 468.791 2.358 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1CO 2267593297 KBNFAVWYWSKKPL-GDBMZVCRSA-N 466.409 2.395 30 10 JEEE C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2267715304 VUSLEBJSEASJOZ-OAHLLOKOSA-N 467.397 2.011 30 10 JEEE CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)cs1 2268635103 NLJFCNHOMJQXPS-OAHLLOKOSA-N 468.381 2.120 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)sc1CNC(=O)CN1CC(NC(=O)OC(C)(C)C)C1 2268637190 KNQADKRGUYXLJD-UHFFFAOYSA-N 465.425 2.181 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@](CO)(NC(=O)c2ccc(F)c(B3OC(C)(C)C(C)(C)O3)c2)C1 2281785895 QQJKDEANQULQMK-HSZRJFAPSA-N 464.343 2.227 30 10 JEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2C[C@@H]3C[C@@H](OCc4ccccc4)C[C@@H]32)n1 2281959762 QGJRJXUWTHNLFT-ZSYWTGECSA-N 452.364 2.228 30 10 JEEE C[C@@H]1C[C@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)CCN1C(=O)OC(C)(C)C 2281962787 CYTWJDJJOGJXBU-HZPDHXFCSA-N 462.400 2.485 30 10 JEEE CCc1nn(C)c(C(=O)NCC2(CNC(=O)OC(C)(C)C)CC2)c1B1OC(C)(C)C(C)(C)O1 2281981698 ILKQOFIJSJLMKA-UHFFFAOYSA-N 462.400 2.316 30 10 JEEE C[C@H](NC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1)C1(O)CCN(C(=O)OC(C)(C)C)CC1 2281999196 WFABYNVUQRSNTF-AWEZNQCLSA-N 481.424 2.323 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2CN(C(=O)C3CC(B4OC(C)(C)C(C)(C)O4)C3)CCN2C1=O 2282061868 QFABEZCIYCAQSX-SJJHQCBESA-N 463.384 2.195 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CCNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)C(F)(F)F 2282176586 VEXJLRSWZDCKHJ-CYBMUJFWSA-N 474.289 2.351 30 10 JEEE CC(C)(C)OC(=O)N1CCCC[C@@H]2[C@H](NC(=O)c3ncncc3B3OC(C)(C)C(C)(C)O3)[C@@H]21 2282188537 XEJGEXYWSXHMNH-UWWQBHOKSA-N 458.368 2.294 30 10 JEEE C[C@@H]1CC[C@@H](CNC(=O)C(F)(F)F)N(C(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2282191011 UMQLALOIJLOYOK-KGLIPLIRSA-N 455.286 2.300 30 10 JEEE CN(C)CCCN(CCNC(=O)OC(C)(C)C)C(=O)c1ccoc1B1OC(C)(C)C(C)(C)O1 2282198635 APQONNXWFSRJGK-UHFFFAOYSA-N 465.400 2.497 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CCN(S(=O)(=O)c3cncc(B4OC(C)(C)C(C)(C)O4)c3)[C@H]2C1 2282416986 DKOCSUQKLMJODX-YJBOKZPZSA-N 479.408 2.011 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC2[C@H]3CC[C@H]2CN(Cc2ccccc2)C3)n1 2282530351 SLDIPHRBANEXFA-OALUTQOASA-N 450.392 2.360 30 10 JEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CCNC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282554370 CNDZDBNHIFYNFW-JKSUJKDBSA-N 462.400 2.342 30 10 JEEE CN(C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1)[C@H](CNC(=O)OC(C)(C)C)C(F)(F)F 2282585384 LDGVUWJMDROJPD-CYBMUJFWSA-N 476.305 2.247 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1C[C@H](C)CN(C(=O)OC(C)(C)C)C1 2282588867 XOBXDDNMRJOVGD-HOCLYGCPSA-N 462.400 2.403 30 10 JEEE COC1(CNC(=O)c2ncc(C)cc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2282656652 VDIIXPRGNCZEHC-UHFFFAOYSA-N 461.368 2.055 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2O)c1 2282683562 FHWUHZQMGSVFHX-RTBURBONSA-N 460.380 2.394 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)CO1 2282710026 INBAIHZAFUUUMO-WBVHZDCISA-N 461.368 2.040 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N(C)C[C@H](O)COCc1ccccc1 2282828677 SRFRJPGPIARAQH-NRFANRHFSA-N 475.416 2.492 30 10 JEEE CC1(C)OB(c2cc(C(=O)N[C@@]34C[C@@H]3CN(Cc3ccccc3)C4)c(O)cc2O)OC1(C)C 2282913617 VTDWRYVSCQSLBL-CRICUBBOSA-N 450.344 2.401 30 10 JEEE COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1NC(=O)[C@H]1COC[C@H]1NC(=O)OC(C)(C)C 2284035886 GODRVZGFAPIGLE-DOTOQJQBSA-N 462.352 2.473 30 10 JEEE CCOC(=O)CN(Cc1ccccc1)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)c(CC)nn1C 2284459013 FBHFRGXCXOHVOQ-UHFFFAOYSA-N 455.364 2.487 30 10 JEEE CN[C@H](C#Cc1ccc(Br)cc1)[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 2296304517 IGLVNYDRIMPYFA-IAGOWNOFSA-N 457.390 2.423 30 10 JEEE CC(=NNc1nc2c(c(=O)n(C)c(=O)n2C)n1C[C@H](O)COc1ccc(C)cc1)c1ccccc1 2327754056 CTFUWBSXFQDTGW-IBGZPJMESA-N 476.537 2.018 30 10 JEEE CO[C@H]1[C@@H](C(=O)N2CC[C@H](B3OC(C)(C)C(C)(C)O3)C2)N(C(=O)OC(C)(C)C)C[C@H]1OC 2342482697 OFXBQGCVQIXXTK-VVLHAWIVSA-N 454.373 2.330 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(C(=O)OC(C)(C)C)CC(F)(F)C1 2362352077 MFTCYHSENKWSOE-UHFFFAOYSA-N 470.326 2.048 30 10 JEEE O=C(CSc1n[nH]c(N/N=C/c2ccccc2[N+](=O)[O-])n1)NCc1ccc2c(c1)OCO2 59844025 JOZABYUAAVOQOX-ZVBGSRNCSA-N 455.456 2.296 30 10 JEEE N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCCCN2CCCS2(=O)=O)cc1Cl 608798422 HMRDXISXKDVSNO-IBGZPJMESA-N 474.970 2.476 30 10 JEEE Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)NCCCN1CCCS1(=O)=O 608798432 HXWSZAZDJZNAKF-UHFFFAOYSA-N 456.524 2.139 30 10 JEEE C[C@@H]1CCCC[C@@H]1NC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1-c1ccc(C(N)=O)cc1 608828009 BZCBBEWTDGNVHY-VGSWGCGISA-N 486.597 2.196 30 10 JEEE C#CCN(C(=O)C1CCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1)[C@H]1CCS(=O)(=O)C1 729332256 XBDCXSIPXUGFDG-FQEVSTJZSA-N 480.652 2.034 30 10 JEEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1[C@@H](C)c1ccccc1 729668701 BZPOXUBKKDKYIU-KRWDZBQOSA-N 457.559 2.194 30 10 JEEE COCCNS(=O)(=O)c1ccc(C)c(C(=O)O[C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)c1 923251552 FBJYYXCKGJQHKR-BISSLNBESA-N 479.599 2.396 30 10 JEEE CC(C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 1127219695 GJHBJEZDCSPGKI-UWJYYQICSA-N 459.554 2.250 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CC[S@@](=O)C(C)(C)C)c1 1286308536 AVTBEJFQNQFQQZ-MGBGTMOVSA-N 467.599 2.282 30 10 JEEE C#CCCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1286318673 PSFXYGLVZPOILC-QGZVFWFLSA-N 459.572 2.243 30 10 JEEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1286337976 ZYGBHBDUKAEMNF-QGZVFWFLSA-N 461.364 2.277 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1Cc1cccc(NC(=O)[C@H]2CCCO2)c1 1286467679 SOAAYQDGQNMMHI-TZIWHRDSSA-N 453.543 2.034 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2cc(OC)c(OC)c(OC)c2)CC1 1286480707 PIAKOEWKLNPRGN-IBGZPJMESA-N 455.559 2.349 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2C[C@@H](C)SC)CC1 1286490515 MSWIVPNRAWPPJS-OAHLLOKOSA-N 465.583 2.311 30 10 JEEE C=C(Br)Cn1c(COc2ccccc2OCC)nnc1N1CCNC(=O)CC1 1286546751 DRPDLZIOLQFIDY-UHFFFAOYSA-N 450.337 2.491 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1286558378 OJMNZGDYYOQDMP-APWZRJJASA-N 466.633 2.098 30 10 JEEE C=C(C)COCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](C)C1 1286607359 GKMWXMVFOXBHGB-QZTJIDSGSA-N 451.568 2.404 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1286781927 DWHIFWWDCUHLEB-VFNWGFHPSA-N 476.375 2.394 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1286825425 QXUDAOLAFFZVDF-LSDHHAIUSA-N 452.499 2.278 30 10 JEEE C#CC[C@]1(C(=O)NCc2cccc([C@@]3(C)NC(=O)NC3=O)c2)CCCN1C(=O)OC(C)(C)C 1292585060 PMTCDGGKOIVMOV-DNQXCXABSA-N 454.527 2.150 30 10 JEEE C#CCN(CC)c1nnc(-c2ccc(Br)s2)n1CCNS(=O)(=O)Cc1ccon1 1300612054 SEKCDSZLUMWUSO-UHFFFAOYSA-N 499.416 2.336 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(OC)cc2OC)n1C[C@H]1CC[C@]2(CCOC2)O1 1300655050 NSSZLVYACIJRRR-NTKDMRAZSA-N 456.543 2.386 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](CC=C)c2ccccc2)CC1 1300700718 UYDNFCXQTJPSII-FCHUYYIVSA-N 453.612 2.295 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H]2CCCCN2CCCC)CC1 1300724945 DJTVXKQIOLZOPH-VXKWHMMOSA-N 456.635 2.402 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2OC)nnc1N1CCO[C@H](CNC(C)=O)C1 1300898579 YQKKWUJLDCRUMP-REHUZNOOSA-N 485.585 2.188 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C(C)(C)O)c1 1300915197 JJQKWRWPDHOBFO-FQEVSTJZSA-N 477.631 2.289 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1 1301577846 OPJDGNZKWVQYGY-QFIPXVFZSA-N 457.531 2.178 30 10 JEEE C[C@H](C#N)CN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ncccc1N(C)C 1301956092 DRKHYCODZAUMTD-MRXNPFEDSA-N 453.572 2.454 30 10 JEEE C[C@H]1CCC[C@](Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCNS(C)(=O)=O)(N(C)C)C1 1304983039 IFOBDOBUXZHSET-MBSDFSHPSA-N 473.647 2.313 30 10 JEEE COc1ccc(OC)c([C@H](O)CNS(=O)(=O)c2cc(Br)c(C#N)cc2F)c1 1309222531 CEDULIUDEZVPBB-OAHLLOKOSA-N 459.293 2.489 30 10 JEEE COC(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(S(C)(=O)=O)CCCC2)C1 1315092755 HMIMFSDMKYWVGF-SFHVURJKSA-N 457.556 2.173 30 10 JEEE CS(=O)(=O)NC[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCSC2)C1 1316359835 FSZVLNOODFOBJH-MOPGFXCFSA-N 490.655 2.247 30 10 JEEE C#CCCOc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc1 1352618375 LUXBOVMYBRFNSA-UHFFFAOYSA-N 456.520 2.007 30 10 JEEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(OC)c(OC(F)F)c1 1358949335 YYMCHSUKCPJVSW-OAHLLOKOSA-N 454.499 2.102 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(NC(C)=O)nc2)CC1 1359046119 FULOHGRRLQQYCW-UHFFFAOYSA-N 492.609 2.001 30 10 JEEE C#CCSCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCO[C@H](CNC(C)=O)C1 1359059428 NAMRYLFGCQXSHE-LJQANCHMSA-N 452.584 2.058 30 10 JEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2c(OC)cc(OC)cc2OC)CC1 1359158951 JAEFKHAEEFEBQF-INIZCTEOSA-N 479.603 2.313 30 10 JEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)CC1 1359159082 MVYWFGXJCRQHQM-HZPDHXFCSA-N 456.613 2.300 30 10 JEEE C=CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)N2CCN(CC)CC2)CC1 1359173168 XSSBGFVYBVYIPR-IBGZPJMESA-N 452.607 2.354 30 10 JEEE CC(=O)Nc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(CC#N)CC2)cc1 1359404061 BQUANVOWLKTZGY-OAHLLOKOSA-N 459.576 2.025 30 10 JEEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CCS(=O)(=O)C[C@H]2CC(=O)OC)s1 1438309906 OEJQVCNZWZWBAP-GFCCVEGCSA-N 453.007 2.027 30 10 JEEE C#CCN(CC(=O)N[C@@H](CO)c1ccccc1I)C(=O)OC(C)(C)C 1472298783 NYOAWPGTNCAEQA-HNNXBMFYSA-N 458.296 2.311 30 10 JEEE C=CCCc1ccc(S(=O)(=O)N2CCCN(S(=O)(=O)c3c(C)noc3C)CC2)cc1 1474799502 XOLGUSKSQKJYCO-UHFFFAOYSA-N 453.586 2.495 30 10 JEEE Cc1cccc(CCCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@](C)(C#N)C2)n1 1492526539 CBAHSVBQHPEYIO-NZQKXSOJSA-N 487.630 2.077 30 10 JEEE CCC(CC)[C@@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](C#N)C1)N1CCOCC1 1496668427 CXRJDCPFVDUXJX-FCHUYYIVSA-N 470.622 2.006 30 10 JEEE CCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1499949045 AUKSJUYTUVBNKM-XXBNENTESA-N 474.631 2.476 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2C[C@]2(O)CCSC2)c1 1507550695 PJPMIKCNDVMRFF-FDDCHVKYSA-N 455.584 2.096 30 10 JEEE C#CCN(c1nnc([C@@H](C)CC)n1CCc1nccc(C(F)(F)F)n1)[C@H]1CCS(=O)(=O)C1 1507623879 YRYUONFQYHWDDU-GJZGRUSLSA-N 470.521 2.470 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(O)CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1507626097 DAAZBXOFWRDYNM-HYBUGGRVSA-N 467.595 2.385 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCCc1nc(C)cs1)[C@H]1CCS(=O)(=O)C1 1507633457 SOMHWHBBVWISPY-MSOLQXFVSA-N 463.629 2.197 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H]1CCCN(C(C)C)C1)[C@H]1CCS(=O)(=O)C1 1507636021 XEUGRWOUQMAKRM-YADHBBJMSA-N 470.643 2.011 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CCCc1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 1507638048 CXQFFCUJGZAKLS-NRFANRHFSA-N 482.610 2.159 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(C)C)n1CCNC(=O)c1ccco1 1507699681 JLNYBNCUCSAGAW-UHFFFAOYSA-N 452.490 2.218 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1CCCN1CCN(CC)CC1 1507700261 OUWJAHWWIYIHMP-JOCHJYFZSA-N 467.593 2.036 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCOC[C@@H]1OC 1507701526 JQGSIYFSRULKKO-SBHAEUEKSA-N 476.574 2.011 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H](C(C)C)N1CCOCC1 1507712369 FUZDPJHXRAMTTJ-NRFANRHFSA-N 479.585 2.037 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2Cc2cnccc2OC)CC1 1507735387 VCUBFJHDRRDRHS-UHFFFAOYSA-N 490.564 2.380 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCCc2ccccc2F)CC1 1507740177 JMTSIGLOCWJGQW-UHFFFAOYSA-N 466.561 2.138 30 10 JEEE C#CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1507755517 AGHKTAQVZYWXLV-UHFFFAOYSA-N 499.637 2.307 30 10 JEEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1507785335 NJVPUOWEYGMAFR-JKSUJKDBSA-N 484.424 2.139 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(OCCN2CCCC2)CC1 1507792551 ZYEWRZUFZCDHFT-RBBKRZOGSA-N 474.650 2.479 30 10 JEEE C=C(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(OC)C1)c1ccccc1 1507850800 BJLPFXGJRNLEKT-NZQKXSOJSA-N 475.615 2.330 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(OC2CCC(C)CC2)CC1 1508073589 YWHXJMMBCVVHSL-UHFFFAOYSA-N 458.607 2.380 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1508090612 IELASJNHBZSYKL-IBGZPJMESA-N 481.601 2.147 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCN(C(C)=O)CC2)cc1 1508096269 DWGWXDNJWUVHCK-UHFFFAOYSA-N 461.526 2.207 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](C)N2CCc3ccccc3C2)C1 1508109776 NYXMGLRDYYFYLW-WOIUINJBSA-N 488.658 2.116 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3noc4c3COCC4)n2CCN(C)CC(F)(F)F)C1 1508118573 RKOMQKPLNSROHH-AWEZNQCLSA-N 456.469 2.281 30 10 JEEE C[C@H](C#N)CN(C)c1nnc(-c2ccccc2Cl)n1CCNS(=O)(=O)Cc1ccon1 1508415319 CNPOAFMRTJQCNL-CQSZACIVSA-N 463.951 2.302 30 10 JEEE CC(C)NC(=O)CN(C)c1nnc(COc2ccc(C#N)cc2)n1CCC(=O)N1CCCCCC1 1509740476 HLBWAUUKKYIBIG-UHFFFAOYSA-N 481.601 2.482 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3oc(C4CC4)nc3C#N)CC2)n1C[C@@H](C)OC 1513392674 CCNBVOIIGCCLNS-OAHLLOKOSA-N 470.578 2.295 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(F)(F)C1(OC)CCOCC1 1539005133 XRKSFOJPXRFFKU-INIZCTEOSA-N 486.523 2.481 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2nc(C)c(C)s2)c1 1539042484 GPCLKLTUNSRLIA-SFHVURJKSA-N 498.634 2.358 30 10 JEEE C#CCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1539052805 TYHSIAWREATRMI-UHFFFAOYSA-N 451.487 2.177 30 10 JEEE C#CCCCn1c(N2CC[C@H](C(=O)NCC(F)(F)F)C2)nnc1[C@@]1(OC(C)C)CCOC1 1539140790 QWQHLKYKGUDOBG-OXJNMPFZSA-N 457.497 2.237 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCC(=O)N3)n2Cc2csc(C)c2)n1 1539424734 WKXHHWDODGZOEX-IBGZPJMESA-N 453.572 2.130 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCCc3ccccc3)n2CC[C@@H]2COCCO2)CC1 1539488533 LNFDYWGWWMGYRE-HSZRJFAPSA-N 465.598 2.225 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1539491422 PPNLDWUALBLGMK-GOSISDBHSA-N 461.613 2.137 30 10 JEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CC(=O)NC2CCCC2)CC1 1539515090 XJEXIVTYTPWRMW-IBGZPJMESA-N 458.632 2.261 30 10 JEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)c2ccc(OC)c(OC)c2)CC1 1540673246 VUJPCDOVWYEMJG-SFHVURJKSA-N 459.543 2.295 30 10 JEEE C=CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1540857653 KPXOLMONCRFUEE-PMACEKPBSA-N 487.649 2.321 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1540862745 IHLIDRWHHJSGRV-IFMALSPDSA-N 499.635 2.464 30 10 JEEE C=CCNC(=O)Cn1c(N2CC[C@@H]([C@@H]3CCOC3)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1540875925 BWMKCDWMJXKPLB-MKXGPGLRSA-N 474.606 2.214 30 10 JEEE CC(C)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2(C(N)=O)CCOCC2)CC1 1541623737 DGNWVCHITWJUPV-UHFFFAOYSA-N 451.575 2.019 30 10 JEEE COCCN(CCC#N)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1(S(C)(=O)=O)CC1 1555558707 ATJVTUSNBXQDJM-IAGOWNOFSA-N 453.609 2.140 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2C[C@@H]2CCO[C@H]2C(=C)C)c1 1587697126 KGAGXKSNUXCALB-CPJSRVTESA-N 476.581 2.438 30 10 JEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 1587766114 ONEKMVWFZZWLAM-WMZOPIPTSA-N 474.583 2.055 30 10 JEEE C#CCNS(=O)(=O)N1CCN(C(=O)c2csc(-c3ccc(Cl)cc3Cl)n2)CC1 1588199045 GVLKIXXHJHUEST-UHFFFAOYSA-N 459.380 2.342 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccccn2)n1C[C@@H]1C[C@@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1588620314 SZHFFBIBBBODDZ-SVFBPWRDSA-N 482.585 2.451 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Cl)c3)n2CC(=O)NCC2CC2)CC1 1588899501 QGMLEXITBMWHTL-UHFFFAOYSA-N 454.962 2.091 30 10 JEEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1589088696 FXEWYTBNMRQYMN-UHFFFAOYSA-N 481.670 2.155 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1589496232 WTVTVQXEVZNVDN-OKYOBFRVSA-N 451.568 2.260 30 10 JEEE C=C(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1593672021 YHJBEEUGNGBKRW-IBGZPJMESA-N 456.572 2.309 30 10 JEEE C=CC[C@@H](Cn1c([C@@H](C)CC)nnc1N1CCN(C(=O)Cn2cnnn2)CC1)c1ccccc1 1594533696 FJBNQUBMRBZVCF-FPOVZHCZSA-N 463.590 2.487 30 10 JEEE C=CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1594714579 XVRNCCMCICMGJK-HNNXBMFYSA-N 454.622 2.074 30 10 JEEE C=CCCCn1c(Cc2csc(C)n2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1594744640 WECDOVINAPSJBQ-UHFFFAOYSA-N 452.588 2.421 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCCNC(C)=O)C1 1595752583 APPCDOMDBDGHRO-CEXWTWQISA-N 462.595 2.356 30 10 JEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCNS(=O)(=O)c1ccc(C)s1 1596961536 IUCFGIRBHMAJLE-ZDUSSCGKSA-N 451.998 2.487 30 10 JEEE C[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1)N(C)Cc1ccccc1 1611583599 GYXLPJDYDFZCLK-LZNRXBQRSA-N 460.579 2.143 30 10 JEEE CCc1nnc(N2CCCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)c(C#N)c1CC 1611892774 DJUPYBIOUZIADH-UHFFFAOYSA-N 457.556 2.145 30 10 JEEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(C)=C(Br)C1 1618841994 DRINVWQPYKNCMZ-UHFFFAOYSA-N 465.377 2.245 30 10 JEEE COC(=O)c1cc(S(=O)(=O)N2CCN(c3ccc(C#N)cc3)CC2)c(Br)o1 1622468757 AAFXTDYBUUQEFF-UHFFFAOYSA-N 454.302 2.211 30 10 JEEE CC(C)(C)OC(=O)N(CC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1)C[C@@H]1CCCO1 1629027552 BFSDHCOIKJFDDT-KRWDZBQOSA-N 459.547 2.488 30 10 JEEE C=CCn1c(SCC(=O)NN2CC(=O)N(C)C2=O)nnc1-c1ccc(Cl)cc1Cl 1636526530 YPBTYAJCFQNSFS-UHFFFAOYSA-N 455.327 2.455 30 10 JEEE COc1ccc(Br)c(CS(=O)(=O)N2CCN(c3cc(C#N)ccn3)CC2)c1 1661261770 ATVWKEYDVZFGRD-UHFFFAOYSA-N 451.346 2.376 30 10 JEEE CNS(=O)(=O)c1cccc([C@H](C)NS(=O)(=O)c2ccc(Br)c(C#N)c2)c1 1661324536 AFCOSPBQIFTAQL-NSHDSACASA-N 458.359 2.268 30 10 JEEE C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N[C@H](CN2CCN(C)CC2)c2ccccc2)cc1 1670221900 DCUWLORKKJUIDZ-PGRDOPGGSA-N 455.584 2.483 30 10 JEEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1cc(Br)ccc1F 1689946023 MCYIRUNAXIUJKX-GFCCVEGCSA-N 458.357 2.102 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H](F)COC)[C@@H]1CCS(=O)(=O)C1 1689982478 OGZYXVDPIKIEAU-JKSUJKDBSA-N 472.489 2.158 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1nc(C(F)(F)F)cs1)[C@@H]1CCS(=O)(=O)C1 1689985894 DVFMETXHACQFQY-CYBMUJFWSA-N 482.513 2.490 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ccc(Cl)cc1OC)[C@H]1CCS(=O)(=O)C1 1689988433 OZKHAMSRZBCTCN-KRWDZBQOSA-N 472.958 2.072 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1690006273 MDBPQABQNWJKAK-PZJWPPBQSA-N 482.566 2.130 30 10 JEEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN(C)C(=O)OC(C)(C)C 1690067240 WLFOTYFUTZDCJW-UHFFFAOYSA-N 451.535 2.247 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(C)cc1O[C@H]1CCOC1 1690092705 RUNQYTSJOQNVDV-NRFANRHFSA-N 467.570 2.125 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@](C)(O)c2ccsc2)CC1 1690148393 FTQARYIAGRHIAM-DEOSSOPVSA-N 464.595 2.199 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2CCN(C)CC(F)(F)F)CC1 1690150702 QSXHWRJDHCGLGZ-UHFFFAOYSA-N 468.549 2.390 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C(C)C)C1 1690247099 ZWFPKNVISCJHKD-CGXNFDGLSA-N 481.663 2.465 30 10 JEEE C=C(Cl)Cn1c(-c2cccnc2)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1690340120 FWVFIOZNEFDTOJ-ZACQAIPSSA-N 495.005 2.219 30 10 JEEE C=C1CCN(c2nnc(COc3ccccc3OC)n2CCN2CCN(C(C)=O)CC2)CC1 1690382275 INTDUDQZVWBENN-UHFFFAOYSA-N 454.575 2.186 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 1690725209 IKJCDWZETMUUSY-QGZVFWFLSA-N 455.625 2.428 30 10 JEEE CC(C)N(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1692473760 DLBJMPNFXGBHCU-QHCPKHFHSA-N 467.618 2.370 30 10 JEEE Cc1cc2cc(Cn3c([C@@H]4CN(S(C)(=O)=O)CCO4)nnc3N(C)C[C@H](C)C#N)ccc2[nH]1 1693013489 CVGYNTCMXSJXMN-QRWLVFNGSA-N 471.587 2.045 30 10 JEEE N#Cc1ccc(-c2nnc(N3CCC[C@H](CC(N)=O)C3)n2C[C@H](N2CCOCC2)C(F)(F)F)cc1 1698487137 BKXPYEMFVZKNOZ-MJGOQNOKSA-N 491.518 2.172 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1CCCOc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1705567535 XKYHZGGWQHOQOD-HKUYNNGSSA-N 462.547 2.017 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2ccsc2)n1CCNS(=O)(=O)c1ccc(C)s1 1705586745 VFBHHINRDDGCOU-UHFFFAOYSA-N 459.622 2.352 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2C[C@@H](C)N(CC)CC)CC1 1705646041 OYNXDEGNYMKFAV-GOSISDBHSA-N 466.586 2.370 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)CC1 1705648956 FFTIBFLEUIPOHI-PMACEKPBSA-N 481.645 2.137 30 10 JEEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 1705663168 YFQUJBAYFBGCLG-GGAORHGYSA-N 495.697 2.447 30 10 JEEE C=C(Br)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1705691204 BJRVIHRPQOMHGT-UONOGXRCSA-N 479.404 2.235 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(OC)CC1 1705696868 IRQJUQJJQHSFJJ-DCXXXQMHSA-N 455.625 2.265 30 10 JEEE C=CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 1705892019 PZQDUXJEMACIPJ-UHFFFAOYSA-N 472.615 2.413 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](CN2CCCC[C@@H]2C)C1 1705909150 OYUBYWPBXOFTOI-KGSLCBSSSA-N 474.650 2.395 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccnc3)n2C[C@H](N2CCOCC2)C(F)(F)F)C1 1705918169 DMAJVJWPNBYQJW-MSOLQXFVSA-N 452.481 2.385 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](c2cccc(Cl)c2)C1 1705927551 AOFMWUVLMOARMH-IBGZPJMESA-N 494.017 2.346 30 10 JEEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cc(Cl)ccn1 1705946540 KENJUATVBPSQRY-QGZVFWFLSA-N 487.051 2.215 30 10 JEEE CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 1709900622 DJCQKUJOMUMARB-GOSISDBHSA-N 464.530 2.379 30 10 JEEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCO[C@H](C)C2)C1 1710350238 GHEBGVGHAGNGIH-SLYNCCJLSA-N 488.614 2.062 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccnc(OCc2ccccc2)c1 1722279803 USVMMGAYWQFUSH-MSOLQXFVSA-N 468.583 2.369 30 10 JEEE C#CCN(c1nnc(CC)n1C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1722365827 FVJLETUEIDFFPO-ZWKOTPCHSA-N 465.620 2.114 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCCN1CC)[C@@H]1CCS(=O)(=O)C1 1722371882 MNIGMMCUEVGSQY-FCHUYYIVSA-N 496.637 2.230 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCC[C@@H]1C 1722382499 AIWCTRLRZXIKJT-VQTJNVASSA-N 456.591 2.144 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1C(F)(F)F 1722389151 DQIIFFLGMIRUCV-OAHLLOKOSA-N 453.490 2.418 30 10 JEEE C#CCN1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2C[C@@H](OC)[C@@H](C)CC)CC1 1722438277 PISYHOXFLHQFLX-SIKLNZKXSA-N 477.613 2.491 30 10 JEEE C=C(Br)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1722488662 AWKSNWQURKRBPQ-QGZVFWFLSA-N 464.364 2.334 30 10 JEEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2cccc(F)c2[C@@H]1C 1722537852 RWWAZYRDFAAXOD-FXAWDEMLSA-N 493.605 2.467 30 10 JEEE C=C(Cl)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(Cc2ccc(OC)cc2)C(=O)C1 1722550145 FPGUNDJMONBGSJ-GOSISDBHSA-N 458.950 2.229 30 10 JEEE C=C(Cl)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1722552074 LOAJFFVFNHAVDX-OWCLPIDISA-N 482.969 2.274 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC(Cn2ccnn2)CC1 1722690057 DPPKCVGWCDYOMM-QGZVFWFLSA-N 468.537 2.368 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC[C@H](NC(C)=O)C1 1722728551 WXWUERFVBPSTPP-IBGZPJMESA-N 484.582 2.306 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)O[C@H](COC)C1 1722731330 KIOYWAGCKCLLMN-ICSRJNTNSA-N 455.559 2.367 30 10 JEEE C=CCOc1ccc(Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CC[C@@H](S(C)(=O)=O)C2)cc1 1722731927 OCHZIDSGPUDKIL-TYPHKJRUSA-N 476.599 2.239 30 10 JEEE COCC[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2nccnc2C)CC1 1730624543 FNAANWRTONLYGD-XMMPIXPASA-N 462.558 2.029 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1CC(C)(C)CN(C)C)[C@H]1CCS(=O)(=O)C1 1740619342 HXKJDNQQKRXVBK-IBGZPJMESA-N 489.642 2.177 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1CCN1CCCC(C)(C)C1)[C@H]1CCS(=O)(=O)C1 1740621696 OCIQRMFNGZDLIG-IBGZPJMESA-N 456.616 2.089 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H](C)N(C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1740622119 USUDWISUEARUJP-OFNKIYASSA-N 478.622 2.487 30 10 JEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1Cc1c(C)nn(C)c1C)[C@@H]1CCS(=O)(=O)C1 1740624367 IJJUKUNOSGYLKA-OAQYLSRUSA-N 496.637 2.097 30 10 JEEE C#CCN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCC(=O)N1CCOCC1 1740669550 CKPCYONGGALOBE-UHFFFAOYSA-N 474.606 2.101 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1C[C@@H](c1ccccc1)N1CCOCC1 1740684871 DHPHHIFSUQPSHC-GOTSBHOMSA-N 453.587 2.332 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@H](C)N2CCOCC2)CC1 1740697611 LMCADKAGKRDCIA-INIZCTEOSA-N 479.448 2.245 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(=O)NCC1CC1 1740768598 MWBPCOMLNXNHKQ-UHFFFAOYSA-N 459.620 2.475 30 10 JEEE C=C(C)COCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCS(=O)(=O)CC1 1740795099 NZVOVYRXBFGMDX-SFHVURJKSA-N 483.635 2.220 30 10 JEEE C=CCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCN(CCOC)C(=O)C1 1740945735 QKIDMTUHLCXMRR-UHFFFAOYSA-N 450.337 2.197 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC(N2CCCNC2=O)CC1 1740953279 ABZPYDNBVLZUEE-UHFFFAOYSA-N 489.527 2.233 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)OCc2ccccc2)CC1 1740959448 VYGNVICMVJALHT-UHFFFAOYSA-N 475.553 2.410 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1740973281 URRCIOLWGBMZBE-REHUZNOOSA-N 490.626 2.366 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCN2CCOC[C@@H]2C)C1 1740973884 GQUSQRDBKRJCEO-AZUAARDMSA-N 457.575 2.464 30 10 JEEE CC(C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCC[C@@H]2C)CC1 1741703850 GBKCMLSXEWJYPE-UQBPGWFLSA-N 465.602 2.014 30 10 JEEE CC1CCN(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)Cc2ccc(C#N)cc2)CC1 1743190944 FVZXVNGPXLECTB-SFHVURJKSA-N 459.620 2.128 30 10 JEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)c1nccs1 1748717629 DYZGICODCRENIE-DLBZAZTESA-N 466.633 2.111 30 10 JEEE C#CCCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1748740140 MGQZMTSIOAFJHO-UHFFFAOYSA-N 466.542 2.286 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1cc(OC)ccc1OC)[C@H]1CCS(=O)(=O)C1 1748815524 RBRMWUPAVYSXCK-RXVVDRJESA-N 474.583 2.212 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H](C)N1CCN(CC)CC1 1748829188 XWYIEOYLQMKRKH-QGZVFWFLSA-N 458.408 2.135 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc3ccccc3n2)n1CCCNS(=O)(=O)CC 1748888976 CWVGSWCXOSVYNQ-UHFFFAOYSA-N 450.568 2.286 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@H](C)N1CCOCC1 1748961256 ZEXCJIVADZJFEK-LJQANCHMSA-N 450.543 2.407 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1749019453 USOHYTHJNIEREI-SVFBPWRDSA-N 484.645 2.077 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN(C)C(C)C)CC1 1749019531 YDIKKKIJBGJCST-UHFFFAOYSA-N 463.586 2.035 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1749073034 DCOUBRLCXCSCMQ-AUSIDOKSSA-N 468.583 2.002 30 10 JEEE C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)C[C@@H](C)CC 1749103805 DQHSMAYOUZZVMD-DZGCQCFKSA-N 464.430 2.392 30 10 JEEE C=C(Cl)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)CCN1CCOCC1 1749252491 CWXQXXPHPYZALZ-UHFFFAOYSA-N 468.027 2.068 30 10 JEEE C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1749607997 BVEUOAUHNULEJF-CYBMUJFWSA-N 457.398 2.330 30 10 JEEE C=CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1749634160 ZYJBGFYWMDRKPY-UHFFFAOYSA-N 485.614 2.111 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCN(c2ncc(F)cn2)CC1 1749657971 ISEZVOKEYZMOCZ-UHFFFAOYSA-N 450.522 2.065 30 10 JEEE CC(C)(C)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CC(=O)NCC(F)(F)F 1750449789 CCFOBYJNHMDQEB-UHFFFAOYSA-N 463.508 2.448 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2C[C@H](C(C)C)N2CCOCC2)c1 1760125834 MUUTWKQXKWAIMX-HSZRJFAPSA-N 490.612 2.092 30 10 JEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(O)(c2c(F)cccc2F)CC1 1760145699 TWWUAHCIVYYCPE-OAHLLOKOSA-N 467.542 2.068 30 10 JEEE C#CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1760161802 LJIFFDPXRRFACK-GOSISDBHSA-N 465.620 2.429 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CC1(CCC)CC1)[C@H]1CCS(=O)(=O)C1 1760182818 MOPYENOXDBIHKZ-KRWDZBQOSA-N 456.572 2.132 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1760183134 MVUGKCNCPSBKSF-MOPGFXCFSA-N 459.528 2.049 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@]2(O)CCC[C@@H]2C)CC1 1760266661 IAKBZMRQQAYFED-BXKMTCNYSA-N 466.542 2.370 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@]2(O)CCOC2)CC1 1760271480 ZCWOCONLZDXLNP-HHHXNRCGSA-N 495.624 2.272 30 10 JEEE C=C(C)COCCn1c(N2CCN(C(=O)c3ccc(O)cc3)CC2)nnc1[C@@]1(OCC)CCOC1 1760361555 MYORURTWODZZLM-RUZDIDTESA-N 485.585 2.191 30 10 JEEE C=CCCCCn1c(N2CCC([C@@H]3NC(=O)N(C)C3=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1760430522 LZZSGXULFFYIKN-YADARESESA-N 474.606 2.442 30 10 JEEE C=CCn1c(-c2cc(Br)cn2C)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1760507112 GYTPFFLAAWCXAW-UHFFFAOYSA-N 471.425 2.482 30 10 JEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 1760526373 MJFXMMKOIOVKNJ-IBGZPJMESA-N 486.621 2.278 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@H]2CC(F)(F)CO2)C1 1760539909 XRNAVUGOCALESD-ROUUACIJSA-N 497.568 2.401 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC2([S@@](C)=O)CCC2)C1 1760549843 NSFCKCWBULJFNP-RKXCMPKHSA-N 463.629 2.352 30 10 JEEE CCOC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(S(C)(=O)=O)CCCC2)CC1 1765701938 DQHVGEUDKPDGMF-UHFFFAOYSA-N 486.598 2.453 30 10 JEEE CCN(CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCO[C@H](C#N)C1)C(C)C 1766878504 HJNSDDXZBVOCTK-GOSISDBHSA-N 458.563 2.430 30 10 JEEE CCN(C(=O)c1nc(C(=O)Nc2ccc(C#N)cc2)c2ccccn12)[C@H]1CCS(=O)(=O)C1 1858245064 QOJAWFRSXPQNAF-KRWDZBQOSA-N 451.508 2.107 30 10 JEEE C=CCN(CC=C)C(=O)NS(=O)(=O)c1ccc(CNC(=O)COc2ccccc2OC)cc1 1858656585 QKISXNXYUZJUOA-UHFFFAOYSA-N 473.551 2.463 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(O)c(O)c2)cc1OC 1862569576 PZOHOSXJEVTMKE-HSZRJFAPSA-N 498.532 2.416 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(C(=O)O)cc2)cc1OC 1862573176 WIYLTBJEBOYYHG-JOCHJYFZSA-N 496.516 2.313 30 10 JEEE C=CCNC(=O)C1=C(N)Oc2c(c(CCC)nn2C)[C@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1864892433 ILQNFWWNWGXLKM-QGZVFWFLSA-N 455.471 2.049 30 10 JEEE CCC[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1)C(=O)Nc1ccc(C#N)cc1 1866593230 XBZGHFDFUDPVCZ-JOCHJYFZSA-N 483.594 2.032 30 10 JEEE N#C[C@@H](c1cccs1)N1CCC(C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N2CCOCC2)CC1 1868783947 URZIQUDCCQFHDF-YADHBBJMSA-N 482.606 2.317 30 10 JEEE CCCCCCCOc1cn(CCOCCO)c(CN2CCN(C(=O)OCC)CC2)cc1=O 1870414641 UEPKGIMTTKZEFC-UHFFFAOYSA-N 467.607 2.481 30 10 JEEE CC(C)N1C[C@@H](c2nnc(SCC(=O)Nc3nccs3)n2/N=C/c2ccc[nH]2)CC1=O 1874338756 XIAFDZJHBUGZNQ-IKDHMPEHSA-N 458.573 2.400 30 10 JEEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)NCc3ccc4c(c3)OCO4)CC2)CC1 1890366943 CIUJULXDLILHND-UHFFFAOYSA-N 456.587 2.135 30 10 JEEE COc1ccc(-c2ccc(=O)n(CCCC(=O)N3CCC[C@@H](Oc4nccnc4C#N)C3)n2)cc1 1891613369 XWZIEUTYYOENKL-HXUWFJFHSA-N 474.521 2.431 30 10 JEEE O=C(COc1c(F)c(F)c(F)c(F)c1F)N1CCO[C@@H](C(=O)N2CCC(F)(F)CC2)C1 1891646449 SQEIFSDTVHBWGC-SECBINFHSA-N 458.330 2.246 30 10 JEEE CN1C[C@@H](C(=O)N2CCC[C@H](B3OC(C)(C)C(C)(C)O3)C2)N(C(=O)OC(C)(C)C)CC1=O 2124531087 BIHXKMSYKRTTIL-HOTGVXAUSA-N 451.373 2.149 30 10 JEEE Cn1nc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2255655954 UBZZCBLSUNRGCV-LBPRGKRZSA-N 454.764 2.112 30 10 JEEE CN(C[C@H](O)CN(C)C(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2255802863 GEEVUZRAVAZQFR-CQSZACIVSA-N 454.398 2.347 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]1C(=O)NCc1sccc1B1OC(C)(C)C(C)(C)O1 2256621734 YNCRPFCMBOBJMO-GDBMZVCRSA-N 452.382 2.346 30 10 JEEE CC(C)(C)OC(=O)N[C@]1(C(=O)NCc2sccc2B2OC(C)(C)C(C)(C)O2)C[C@H](O)C1 2256677014 UIGHYERPNWWSMK-IPVJXJPOSA-N 452.382 2.082 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N[C@H]2C[C@@](NC(=O)OC(C)(C)C)(C(=O)OC)C2)C1 2266484371 YIRUEQNBGSTKTI-HFBLYVSPSA-N 465.547 2.008 30 10 JEEE COCC1(CNC(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2266999724 OHSUDCLYWQIODB-UHFFFAOYSA-N 467.397 2.056 30 10 JEEE CC(C)(C)OC(=O)NC[C@]1(F)C[C@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2267139621 JBPVYAFOIDYQHD-KIFPSNHUSA-N 452.336 2.082 30 10 JEEE CO[C@H]1C[C@@H](CNC(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)N(C(=O)OC(C)(C)C)C1 2267288051 YFROSAMHOBMFIN-GJZGRUSLSA-N 450.341 2.333 30 10 JEEE CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)n1 2268633381 RVGHUJDURYCTOK-AWEZNQCLSA-N 468.791 2.428 30 10 JEEE C[C@H](NC(=O)[C@H](CN(C)C)NC(=O)OC(C)(C)C)c1nscc1B1OC(C)(C)C(C)(C)O1 2268654527 ANEFMYJNOCDRHA-ZFWWWQNUSA-N 468.429 2.074 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@](CCF)(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2268704841 BURCYBHNGZSWIE-HXUWFJFHSA-N 470.376 2.185 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)CNc2nccc(B3OC(C)(C)C(C)(C)O3)c2F)CC1 2280781803 DUHACGFSQAWFDE-UHFFFAOYSA-N 464.347 2.011 30 10 JEEE CC[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2281971451 JKBMPCJWGJYWNN-WBVHZDCISA-N 462.400 2.485 30 10 JEEE Cn1nc(C(=O)N2CC3(CCC[C@@H]3NC(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2281977007 JKAKGYMOVAPXLC-INIZCTEOSA-N 460.384 2.239 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1 2282021672 OIQRJJVJPARDQM-BGYRXZFFSA-N 450.392 2.406 30 10 JEEE CCn1cc(C(=O)N[C@@H]2[C@@H]3CCCN(C(=O)OC(C)(C)C)[C@H]32)nc1B1OC(C)(C)C(C)(C)O1 2282042426 GYCGQQCGGGASKS-USXIJHARSA-N 460.384 2.330 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2C[C@H](NC(=O)c3ncncc3B3OC(C)(C)C(C)(C)O3)C[C@@H]21 2282175598 XNTFVEIZDDTNBB-QBYUYEEZSA-N 458.368 2.197 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@H]1CN(CCO)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)o1 2282198768 DQQUCEHDQGDCSY-INIZCTEOSA-N 464.368 2.413 30 10 JEEE CC(C)(C)OC(=O)N1CC(O)(CCNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2282412757 UPUWBYYJJLBICS-UHFFFAOYSA-N 464.343 2.227 30 10 JEEE CCc1nc(C(=O)N2C[C@H](NC(=O)OC(C)(C)C)[C@@H](OC)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2282513962 XGSFAJVMBQNGIC-KBPBESRZSA-N 481.424 2.369 30 10 JEEE Cc1c(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H]3CC[C@H]32)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282555515 URXDHFJINCJUGR-CVEARBPZSA-N 460.384 2.252 30 10 JEEE CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1nccc(C)c1B1OC(C)(C)C(C)(C)O1 2282570374 GGYRBNNRPCRQOD-CVEARBPZSA-N 461.368 2.053 30 10 JEEE Cc1cc(C(=O)N2C[C@H](O)C[C@@H]2CNC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2282695844 UOUBQYUDXIPACR-QZTJIDSGSA-N 460.380 2.394 30 10 JEEE Cn1nc(CNC(=O)OC(C)(C)C)cc1C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2284058340 KWYCYLGIHCJKLA-UHFFFAOYSA-N 457.340 2.391 30 10 JEEE C=CC[C@](C)(NS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC)C(F)(F)F 2286034368 HLISLSRWKXTLRV-PBHICJAKSA-N 452.451 2.271 30 10 JEEE C[C@]12CC[C@H]3[C@H](CC[C@]4(O)C[C@H](O)CC[C@]34C=NN3CCOCC3)[C@]1(O)CC[C@@H]2C1=CC(=O)OC1 2297639205 CERLQMOZFXRTGG-IUUWRLRLSA-N 488.625 2.017 30 10 JEEE O=C(CSc1nncn1N=Cc1cc2c(cc1[N+](=O)[O-])OCCO2)NCc1ccccc1 2321333023 JGTJZZUQTLEHSG-UHFFFAOYSA-N 454.468 2.248 30 10 JEEE C=C(CS(=O)(=O)N[C@@H]1C[C@H]2OCCN(C(=O)OC(C)(C)C)[C@@H]2C1)B1OC(C)(C)C(C)(C)O1 2343103115 CSVQPMBZIXDEAM-GVDBMIGSSA-N 472.413 2.260 30 10 JEEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@@H](NC(=O)c1cc(B3OC(C)(C)C(C)(C)O3)n[nH]1)[C@H]2F 2359268012 OUVZZACCCPNZHQ-LNCBFAARSA-N 464.347 2.317 30 10 JEEE COc1ccc(/C=N/Nc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2N)cc1OC 20292832 JVHNTESDASUAJL-UFFVCSGVSA-N 472.487 2.094 30 10 JEEE COc1cc(/C=N/Nc2nnc(SCC(=O)Nc3ccc(C)cc3)n2N)cc([N+](=O)[O-])c1O 21326717 RNEQNHLZNYHHLP-ZVBGSRNCSA-N 472.487 2.100 30 10 JEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)Nc3cccnc3OCCOC)nnc12 110815389 LVNFSUYCHMKNHH-UHFFFAOYSA-N 466.523 2.381 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)[C@H](C)[S@@](=O)CCN3C(=O)c4ccccc4C3=O)cc21 586354113 UMVDFJCYESCPSP-YHOYWCJOSA-N 466.515 2.214 30 10 JEEE CCN(CC)S(=O)(=O)c1ccc(N2C[C@H](C(=O)NCc3ccc(C#N)cc3F)CC2=O)cc1 609228950 NWXPNCWCMSKOAO-GOSISDBHSA-N 472.542 2.397 30 10 JEEE N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CCc1cccs1 729672780 HZOPUHIIHPYCKM-UHFFFAOYSA-N 489.626 2.424 30 10 JEEE O=C(NCC#CC(=O)N1[C@H](C(=O)O)C[C@@H]2OCC[C@H]21)OCC1c2ccccc2-c2ccccc21 757530837 NLJWPUIFMIZQNR-VJBWXMMDSA-N 460.486 2.372 30 10 JEEE CCOc1cc(C=NNc2nnc(SCC(=O)Nc3ccc(C(C)=O)cc3)n2N)ccc1O 1084196928 SHWPEMRHBZQNAV-UHFFFAOYSA-N 469.527 2.476 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2cc(C(N)=O)ccc2-n2cc(C)cn2)ccc1F 1127581476 SLBSYYCQTQIXBT-UHFFFAOYSA-N 457.487 2.135 30 10 JEEE C#CCN(c1nnc(CCCc2ccccc2)n1CCN1CCOC(C)(C)C1)[C@H]1CCS(=O)(=O)C1 1286390696 FAPVSRHVELPUSA-QHCPKHFHSA-N 499.681 2.191 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc3ccccc3n2)n1CCN/C(O)=C1\N=CC=CC1=O 1286404206 QTGJCEMKFSULTG-ZNTNEXAZSA-N 451.490 2.093 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(C)(C)N1CCC(OC)CC1 1286408414 GWMKUWVGSVZGBW-UHFFFAOYSA-N 487.608 2.154 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CCc2ccc(OC)c(OC(F)F)c2)CC1 1286478929 DRBPEKKYMPTQRM-SFHVURJKSA-N 461.513 2.390 30 10 JEEE C=C(C)COCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](C)C1 1286607361 GKMWXMVFOXBHGB-ZWKOTPCHSA-N 451.568 2.404 30 10 JEEE C=CCN(C)c1nnc(-c2cc(F)ccc2Br)n1CC1(O)CCS(=O)(=O)CC1 1286717565 BGWJECSSKUSWDS-UHFFFAOYSA-N 473.368 2.409 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(F)(F)F 1286763029 RQPTXUDGIDXIQT-KRWDZBQOSA-N 473.521 2.408 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(N(C)C(=O)OCC)CC1 1286783780 LDCXSQGWVPHHDF-UHFFFAOYSA-N 486.573 2.322 30 10 JEEE C=CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(NS(C)(=O)=O)CC1 1286825154 HEVTZROGAPWTRD-UHFFFAOYSA-N 489.465 2.473 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CCN1CCCC(C)(C)C1 1288816050 BXJMZTANHFCQPI-QGZVFWFLSA-N 451.641 2.140 30 10 JEEE Cc1n[nH]cc1CCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1289160887 FZYZOGUEBQPWAX-UHFFFAOYSA-N 479.564 2.418 30 10 JEEE COc1ccc(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)c(OC)c1OC 1300150387 HNPBJOJROMLQSY-SFHVURJKSA-N 489.598 2.189 30 10 JEEE C#CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](COC)C1 1300362797 AESGGCXTWUIWPJ-RBUKOAKNSA-N 463.579 2.242 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H]1CCCN1C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1300486792 BGTHIJLICUTWEA-MSOLQXFVSA-N 488.614 2.299 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2CC(=O)NC(C)C)CC1 1300691314 ULFOCTOGFOLOPH-UHFFFAOYSA-N 454.575 2.022 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccc(F)cc2)CC1 1300710490 CZKJXZDVRYMFAA-UHFFFAOYSA-N 454.550 2.350 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2Cc2nncn2C)CC1 1300718464 PFDZMXYCTLRQOF-UHFFFAOYSA-N 460.586 2.385 30 10 JEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 1300768737 XIGQYKBHGMNWNC-UHFFFAOYSA-N 487.029 2.269 30 10 JEEE C=C(Cn1c([C@H](C)OCCOC)nnc1N1CCc2nn(C)c(=O)cc2C1)c1ccccc1 1301004581 XVEQPZXHBJNTFA-SFHVURJKSA-N 450.543 2.372 30 10 JEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(Cl)c(OC)c1)C1CC1 1301326686 GCBBVJPBENAAKD-LJQANCHMSA-N 482.006 2.476 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1301483657 SQCYXBHLWIEALZ-UHFFFAOYSA-N 470.965 2.304 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC(C)(C)OC(C)(C)C1 1301485669 ZWVDYSGXLQXUFS-UHFFFAOYSA-N 461.588 2.045 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCCN(CCC)C(=O)C1 1301515352 SRSMGRQFKQVSMX-UHFFFAOYSA-N 460.966 2.261 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CNC(C)=O)C1 1301531062 CGHLSABFRQZNKL-TZIWHRDSSA-N 487.626 2.146 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CCC(=O)N2CCCCC2)C1 1301565684 JFERGXQURLSRLH-SFHVURJKSA-N 472.615 2.454 30 10 JEEE CC(=O)N1CCN([C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCOC(C)C)C[C@@H]2C)CC1 1301763815 HWLVKYIMSYYQDM-WMZHIEFXSA-N 465.602 2.231 30 10 JEEE C[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1)Oc1ccc(F)cc1 1303721747 HREQYMZHDIWJAF-QEEYODRMSA-N 451.499 2.229 30 10 JEEE CN(C)CC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1314665579 DOJQDSHVFOAHED-UHFFFAOYSA-N 482.608 2.326 30 10 JEEE C#CCCCCn1c(Cc2csc(C)n2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1358914637 AQALPCGHDSUWEN-UHFFFAOYSA-N 455.632 2.182 30 10 JEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(O)(Cc2ccc(F)cc2)CC1 1358920174 ULFDSYYIBSDJDF-KRWDZBQOSA-N 463.579 2.015 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1358963335 GLJCIUXMMPVMHW-IAGOWNOFSA-N 464.538 2.343 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(Cl)c2c(c1)OCCO2 1359009118 IQHJEGNXFXNUAL-HNNXBMFYSA-N 450.948 2.113 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(N(C)C)CCSC1 1359009978 COUQFLKURSOZLX-MBSDFSHPSA-N 478.663 2.483 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1Cc1ccc(OC)c(Br)c1 1359018416 OQXFIGBLFYFFIZ-UHFFFAOYSA-N 464.364 2.322 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CC(CC)(CC)OC)CC1 1359042602 MTRPCDJWIYMRBR-UHFFFAOYSA-N 491.600 2.092 30 10 JEEE C=CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(NC(=O)COC)CC1 1359201853 BMLQVDRXAJOAQW-UHFFFAOYSA-N 479.585 2.280 30 10 JEEE C=CCn1c(N2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1359290846 RZHLJHGYVSHZQS-UGKGYDQZSA-N 467.636 2.336 30 10 JEEE C=CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(c2ncccn2)CC1 1359338390 UMRSQWPVFYUGIT-UHFFFAOYSA-N 485.639 2.384 30 10 JEEE O=C(OCc1ccccc1)[C@H]1CCCCN1C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1467708922 AEDLFZFMYKDKKD-LJQANCHMSA-N 455.536 2.240 30 10 JEEE CCN1CCN(CCCn2c(COc3cc(C)cc(C)c3)nnc2N2CCO[C@H](C#N)C2)CC1 1502359757 DRQTVBIPQBUBPN-HSZRJFAPSA-N 467.618 2.230 30 10 JEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(F)c(OC)c2)CC1 1507562952 BTOLYNUBGZVSCV-GOSISDBHSA-N 475.590 2.458 30 10 JEEE C#CCCCn1c(-c2cccc(Br)c2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1507579491 YHGDUDNUNYISRN-UHFFFAOYSA-N 499.413 2.392 30 10 JEEE C#CCN(C)c1nnc(COc2ccccc2OC)n1C[C@H]1CCCN1c1cc(NC)ncn1 1507619770 ZOTYBILLDJWPED-GOSISDBHSA-N 462.558 2.436 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@H]1CC(F)(F)CO1)[C@H]1CCS(=O)(=O)C1 1507639027 IRXAFJHPDNARPK-JKSUJKDBSA-N 484.500 2.047 30 10 JEEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@@H]2CCCCS2(=O)=O)CC1 1507728434 YLNXVFPKVKMHTL-NRFANRHFSA-N 471.627 2.196 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccsc1)N(C)C 1507763344 APUVLNBWEWTYDS-RIFZZMRRSA-N 450.634 2.245 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1507805920 LNROLMDGHOIHIY-APWZRJJASA-N 488.530 2.404 30 10 JEEE C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1507823959 NPDZMWDOKDTGRM-UHFFFAOYSA-N 450.503 2.197 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCC[C@@H](CC(N)=O)C1 1508074999 VBFGEZIOCOOMHZ-ZDUSSCGKSA-N 479.354 2.241 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1508079087 NQFAIQDIFIFLIY-UONOGXRCSA-N 484.420 2.268 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(c2ccc(C(C)=O)cc2F)CC1 1508089937 KVXSUPRXJUMQRU-OAQYLSRUSA-N 470.549 2.490 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1sccc1Br 1508410232 DQIBGPLUQHLIFZ-MNOVXSKESA-N 461.411 2.356 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCCCCC2)nc1 1538974271 SBGLWRINYIISCK-MSOLQXFVSA-N 459.620 2.170 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCCO3)n2CC2([S@](C)=O)CC2)c1 1539044209 ZKHIJHPVGTZXMP-WHUARKNTSA-N 455.584 2.487 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1cccs1)N1CCCC1 1539266136 MIJKJCXPWQGEMD-MOPGFXCFSA-N 457.625 2.152 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1cccs1)N1CCCC1 1539266139 MIJKJCXPWQGEMD-RBUKOAKNSA-N 457.625 2.152 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCSCc1ccc(C)cc1 1539370644 YTLVUWHHLAMBRB-FQEVSTJZSA-N 477.656 2.312 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCN(CC)C(C)C)CC1 1539452369 QNEJSWJXOFEJPM-OAQYLSRUSA-N 489.665 2.072 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCOc2ccccc2Cl)CC1 1539467608 XERXOSZTDWPRTM-UHFFFAOYSA-N 472.977 2.115 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)c[nH]2)n1CCS(=O)(=O)NC(C)C 1539542316 XHPBKNQOYWTDJI-GOSISDBHSA-N 469.409 2.356 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2OC)n1CCN1CCN(C(C)=O)CC1 1539568985 GWMVHSYOYSPMEP-RUZDIDTESA-N 466.586 2.022 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCCCO2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1539597561 YXUUSABFSYURPA-GJZGRUSLSA-N 467.368 2.195 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCS(=O)(=O)CC1 1539623362 MBQQXCBNOSVLBX-YLJYHZDGSA-N 462.572 2.178 30 10 JEEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(=O)c2cccc(C)c2)CC1 1539705129 PRWLKNKLBVHRLO-FQEVSTJZSA-N 457.600 2.417 30 10 JEEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CCC(N(C)C(C)=O)CC1 1539758346 KOGFEEVWJACLCS-UHFFFAOYSA-N 460.604 2.309 30 10 JEEE C=C(Cl)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(CC(=O)NC2CC2)CC1 1539805542 MDQGEUVMKSUQEA-UHFFFAOYSA-N 450.921 2.300 30 10 JEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H]1COc2ccccc2O1 1540035985 IZKGKFFLMSNSBM-ROUUACIJSA-N 462.572 2.049 30 10 JEEE C=CCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1540856407 VPCTWQQKAZGIAD-INIZCTEOSA-N 452.519 2.070 30 10 JEEE CCO[C@]1(c2nnc(N(C)Cc3cccc(C#N)c3)n2CCNC(=O)c2ccco2)CCOC1 1547863779 AXDCCVOSPNIYIW-XMMPIXPASA-N 464.526 2.461 30 10 JEEE N#Cc1ccc(N2C[C@@H](C(N)=O)[C@H](C3CCN(C(=O)c4ncccn4)CC3)C2)cc1C(F)(F)F 1548397061 JOTLBCUEPNSRSG-ZWKOTPCHSA-N 472.471 2.457 30 10 JEEE COc1ccc(CCc2nnc(N3CCC[C@](C)(C#N)C3)n2CC2(C(N)=O)CCOCC2)cc1 1554893739 GTKXDUZXEQVKPP-XMMPIXPASA-N 466.586 2.484 30 10 JEEE C#Cc1cccc(CNC(=O)[C@H]2CC(=O)N(c3ccc(S(=O)(=O)N(CC)CC)cc3)C2)c1 1585012216 UCAUQUQXVQICAP-FQEVSTJZSA-N 453.564 2.368 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CCCC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1588065060 SPRMFTWYMYLZDW-OAQYLSRUSA-N 457.600 2.097 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccccc2OC)n1C[C@H](N1CCOCC1)C(F)(F)F 1588166623 LXROCSQWHZUWRM-FQEVSTJZSA-N 477.487 2.202 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCC2CCN(CC(F)(F)F)CC2)CC1 1588929920 JATLXCVXQGIFAT-FQEVSTJZSA-N 496.578 2.412 30 10 JEEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](CN(CC)CC(F)(F)F)C1 1589708187 GDSKOZDKPVYXHT-HUUCEWRRSA-N 452.547 2.175 30 10 JEEE C=C(C)COCCn1c(COc2cccc(C)c2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1593764115 YGMHPBWZOOEMFR-UHFFFAOYSA-N 484.601 2.332 30 10 JEEE C=C(C)COCCn1c(N2C[C@H](C)[C@@H](N3CCOCC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1593769334 MPFKYBVMXKGBMF-AWRGLXIESA-N 463.623 2.068 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCOC[C@@H]1C 1595115495 JPGRDYBOTHNEST-PZJWPPBQSA-N 459.616 2.094 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 1595517047 NNAFQYOSVLEZGL-RBBKRZOGSA-N 479.629 2.064 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1595517055 NPLLWUZHTLTDPC-VFNWGFHPSA-N 476.375 2.394 30 10 JEEE CC(=O)NC[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2c(C)nn(C)c2C)C1 1596576173 FMCOQUDYWCBNNC-NRFANRHFSA-N 476.585 2.480 30 10 JEEE Cn1cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cn1 1618399404 BKJRAENLFSBOOL-WMZOPIPTSA-N 456.551 2.054 30 10 JEEE CNS(=O)(=O)CCn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CC[C@](F)(C#N)C1 1618841148 AHQPLIWYYPDSDI-NRFANRHFSA-N 464.567 2.361 30 10 JEEE CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@H](SCC(=O)OCC)C(F)(F)F)c1 1644179560 JDSCSFAASYCTPK-HNNXBMFYSA-N 451.488 2.441 30 10 JEEE N#Cc1ccc(CN2CC[C@@H](NC(=O)N3CCCC[C@H]3COC(=O)N3CCCC3)C2=O)cc1 1682021385 FXDBGPHUHLZVPL-LEWJYISDSA-N 453.543 2.456 30 10 JEEE N#C[C@H]1CC[C@@H](NC(=O)N2CCN(CCS(=O)(=O)c3ccc(Br)cc3)CC2)C1 1683500095 CXMYQMNVNQRCMQ-DOTOQJQBSA-N 469.405 2.242 30 10 JEEE C#CCCCn1c(-c2ccc(C)o2)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1689919181 FPOYRCSJWFVHKH-LMMKCTJWSA-N 489.598 2.386 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1Cc1cccc(NC(=O)OC)c1)[C@@H]1CCS(=O)(=O)C1 1689993018 SXGFOBLVYGNTIM-LJQANCHMSA-N 459.572 2.330 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC(F)F)c(F)c1 1690046592 DNYZFPOXXHXIOI-MRXNPFEDSA-N 466.485 2.432 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@]2(O)CCC[C@@H]2C)CC1 1690113310 GJIZJNXZOIYZES-HRAATJIYSA-N 461.408 2.352 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCSCc2ccc(C)cc2)CC1 1690144399 XXPLFCLOPOPUFL-NRFANRHFSA-N 480.638 2.437 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCC(F)(F)F)CC1 1690152253 DOJHYBSCMATUJG-UHFFFAOYSA-N 451.497 2.448 30 10 JEEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1690182984 IXLUOCGXWWEDFH-IIBYNOLFSA-N 461.613 2.020 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1690248274 MDDVDYCTURVSAG-UTKZUKDTSA-N 463.579 2.472 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CN(C)C(C)C)CC1 1690312857 DYZYLLHKJKYCDM-FQEVSTJZSA-N 453.653 2.330 30 10 JEEE C=CCCCn1c(COc2ccccc2OC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1690493405 HGCMXTVDOSWLCA-QGZVFWFLSA-N 454.531 2.305 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1690668933 OJGMITKPVZSIOO-UHFFFAOYSA-N 455.563 2.255 30 10 JEEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1690674845 HIGIUHSIRITWLH-UHFFFAOYSA-N 470.581 2.349 30 10 JEEE C=CCSCCn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1690749168 UFJPRPLNHLQCMC-GOSISDBHSA-N 462.645 2.381 30 10 JEEE Cc1nn(C)c(N2CCN(c3nnc(-c4ccc[nH]4)n3CCCN(C)CC(F)(F)F)CC2)c1C#N 1693405699 DGXXXOFCWINDLE-UHFFFAOYSA-N 490.538 2.398 30 10 JEEE C#CCCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1705513900 CFXAPFKKLKHVJH-UHFFFAOYSA-N 453.572 2.016 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1ccc(Cl)nc1)[C@H]1CCS(=O)(=O)C1 1705565569 HNNONRGWTQAWQY-KRWDZBQOSA-N 456.959 2.372 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1CC(C)(C)OCC)[C@@H]1CCS(=O)(=O)C1 1705570168 KSVKGZRLWSDKAJ-LJQANCHMSA-N 460.600 2.319 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCC(=O)N1CCOCC1 1705623305 NBYVJGFEGDPVRP-SFHVURJKSA-N 471.627 2.466 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@]2(C)CCCO2)CC1 1705632574 UWXXMOZGSDVQGS-QHCPKHFHSA-N 456.978 2.186 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccccc2OCCN(C)C)CC1 1705648732 XIXXFMDFKPDIAP-HSZRJFAPSA-N 494.640 2.127 30 10 JEEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 1705663167 YFQUJBAYFBGCLG-FYYLOGMGSA-N 495.697 2.447 30 10 JEEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)C1CCCCC1 1705737432 QTXUUGWSTVNFBP-IBGZPJMESA-N 455.625 2.363 30 10 JEEE C=CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H]1CCS(=O)(=O)C1 1705841852 DWOYEOYWNPDPSO-INIZCTEOSA-N 453.609 2.450 30 10 JEEE C=CCSCCn1c(-c2ccccc2C)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1705944549 KFONKUWZMUFJKU-UHFFFAOYSA-N 470.643 2.154 30 10 JEEE C[C@@H](CN1CCOCC1)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C#N)C1 1706824282 CUBKJOHMNWSNCX-PXNSSMCTSA-N 460.966 2.208 30 10 JEEE C#CCCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1722315157 VQNYHOROZGVGFQ-GOSISDBHSA-N 482.610 2.492 30 10 JEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCN1C[C@H](C)O[C@@H](C)C1 1722382295 HBCKWBIDCHOWBW-VXKWHMMOSA-N 476.629 2.024 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCOCC(F)F)CC1 1722443214 POAAGTKWAPCWPA-UHFFFAOYSA-N 456.497 2.454 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H]2CCN(CCC)C2)CC1 1722443621 LLLLDYZGJZRRTK-QFQXNSOFSA-N 486.661 2.016 30 10 JEEE C=C(Cl)Cn1c(Cc2ccccc2OC)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1722551863 FUMQTHZEKGRNDN-IBGZPJMESA-N 458.950 2.397 30 10 JEEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1722607058 LWQMFWVLHHKYPH-UHFFFAOYSA-N 481.644 2.175 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2ncccc2c1 1722672355 OSMNWXPRFDUKNS-NRFANRHFSA-N 468.583 2.386 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCCN(S(C)(=O)=O)CC1 1722695779 PNLJGVNNBUMJME-UHFFFAOYSA-N 487.413 2.026 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CCC(=O)NC(C)(C)C)C1 1722711771 ILKZCEIJEFLQQP-KRWDZBQOSA-N 489.646 2.324 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCC(S(=O)(=O)c2ccccc2)CC1 1722730040 GLGLGXMVVCWTAD-UHFFFAOYSA-N 478.640 2.274 30 10 JEEE CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCOCC2)C1 1728170409 CGLUOIXIBCNJJQ-HXUWFJFHSA-N 452.559 2.101 30 10 JEEE C#CCCCn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1740594448 MTSMKVOWBOUXLC-QFIPXVFZSA-N 451.571 2.313 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCCCOC)[C@H]1CCS(=O)(=O)C1 1740615436 DQXYMCHXFWCXEF-FQEVSTJZSA-N 473.599 2.201 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1Cc1cnc(C)s1)[C@H]1CCS(=O)(=O)C1 1740622153 VTBZFPVXEKNYIZ-INIZCTEOSA-N 457.581 2.394 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CC(=O)N(CCOC)C1 1740660731 AZVOCCNKCZIUFK-NJYVYQBISA-N 498.628 2.007 30 10 JEEE C#CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(CC(C)C)C(=O)C1 1740717623 XHIIQDJNDWVGJX-FQEVSTJZSA-N 455.584 2.462 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)CCc2ccccc2)CC1 1740793669 VWWNLQJIESIVKS-QFIPXVFZSA-N 480.613 2.493 30 10 JEEE C=CCCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1740859037 FOFIMFWXRBSDSM-MRXNPFEDSA-N 460.485 2.050 30 10 JEEE C=CCCOCCn1c(-c2ccc(CC)cc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1740882638 SNARIIVZLYQPBJ-UHFFFAOYSA-N 468.602 2.273 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c(-c2noc3c2COCC3)nnc1N1CCO[C@@H](C#N)C1)C(C)C 1740927339 TZLLFZNKSYODGC-AZUAARDMSA-N 467.574 2.433 30 10 JEEE C=CCNC(=O)Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCN2C(=O)CC[C@H]2C1 1740962734 MWHJXJDRHZHMNQ-IBGZPJMESA-N 487.004 2.365 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCCc2ccccc2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1740993577 AIMSNFJUZKEAGH-LEWJYISDSA-N 471.627 2.111 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2OC)nnc1N1C[C@@H](C)OC(C)(C)C1 1740994581 UGYQQAKRLJXGCT-QGZVFWFLSA-N 464.588 2.470 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCC(F)(F)CC1 1741130867 CDVPSOUACCPLMH-ZBFHGGJFSA-N 460.551 2.032 30 10 JEEE C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1)N(C)C 1741838984 BYYIALPPXJJOMO-RTWAWAEBSA-N 478.645 2.290 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1Cc1cccnc1OC 1744086568 HXJNBESCTFFZEV-UHFFFAOYSA-N 489.584 2.242 30 10 JEEE CCn1nc(-c2nnc(N(C)C[C@H](C)C#N)n2C[C@@H]2CCCN2CCCO)c2ccccc2c1=O 1746469911 AFBMEGMFMURJPV-MOPGFXCFSA-N 478.601 2.118 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1CCSCc1ccccc1F)[C@H]1CCS(=O)(=O)C1 1748811437 GTINXZLUXQZZER-SFHVURJKSA-N 486.598 2.434 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1749006702 XLBPUZNGVQTHNN-SFHVURJKSA-N 484.004 2.218 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1(S(C)(=O)=O)CC1 1749153004 KTMNLBKRYZUYCH-UHFFFAOYSA-N 466.633 2.218 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1nc2ccccc2s1 1749193750 OWSINPCUIYKULK-MRXNPFEDSA-N 462.601 2.433 30 10 JEEE C=CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1749617759 MFMUISGIFYVRPD-UHFFFAOYSA-N 465.992 2.455 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@H](C(=O)NC)C1 1749651469 VWVYKUIANHWZAG-HOTGVXAUSA-N 460.966 2.336 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(C)nc3ccccc23)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1749652797 SXLHTPSNDHHATC-SJORKVTESA-N 470.599 2.362 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(CC)[C@@H](C)C1 1749670618 ULSQMGOUQIWTKH-OALUTQOASA-N 475.638 2.225 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cccc(C(=O)NC)c2)C1 1749693076 FLJCMAIUCUSPHV-IBGZPJMESA-N 461.526 2.115 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CCCN(CC)C(=O)C1 1749726157 YRAWEMHTDGLCLZ-UHFFFAOYSA-N 451.980 2.258 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@H](NC(C)=O)C1 1749739508 DQHYAKWGFKECJF-FQEVSTJZSA-N 475.615 2.180 30 10 JEEE C=CCSCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1749744639 MTKBLURKNNEWKI-RBUKOAKNSA-N 484.626 2.101 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2ccc(Cl)cc2)C1 1760155141 REVVBPINDRBINB-UXHICEINSA-N 494.017 2.256 30 10 JEEE C#CCN(c1nnc([C@@H](CC)c2ccccc2)n1CCCN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1760181536 XAYIOTQOGVMJBD-PKTZIBPZSA-N 485.654 2.169 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1760189895 RAFDVPVPHIEPFT-NSHGMRRFSA-N 472.615 2.203 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(C)cc1OC)[C@@H]1CCS(=O)(=O)C1 1760191717 MIBDZYGFBRPEKY-OAQYLSRUSA-N 482.610 2.132 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2CCNC(=O)C(C)(C)C)CC1 1760266685 INKWTUFIQZSMSY-UHFFFAOYSA-N 466.586 2.082 30 10 JEEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1760284713 RKQJKHCYIMMUHB-UHFFFAOYSA-N 465.583 2.326 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)cn2C)n1CCC(=O)N1CCOCC1 1760290414 FGRPDLPFRUTANB-OAQYLSRUSA-N 475.391 2.287 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)C[C@@H](C)c1nccs1 1760520871 CDJROEBEORYKTD-OAHLLOKOSA-N 478.582 2.191 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccn3C)n2CCCN2CCC[C@@H]2C(=O)N(C)C)C1 1760540211 DAQSLTDPNYPTGY-PZJWPPBQSA-N 455.607 2.008 30 10 JEEE CCO[C@@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCOc2ncccc2Cl)CCOC1 1767438161 DGTXRTYHTZQSBX-UXHICEINSA-N 450.902 2.500 30 10 JEEE COc1ccc(CCN2C[C@H](C(=O)Nc3c(C#N)nnn3-c3ccccc3)CC2=O)cc1OC 1870148726 AUNRPFJQJQUBFR-QGZVFWFLSA-N 460.494 2.186 30 10 JEEE COc1ccc(N2C[C@@H](C(=O)Nc3c(C#N)nnn3-c3cc(OC)c(OC)c(OC)c3)CC2=O)cc1 1870159646 RCLRISQLDKZOGR-AWEZNQCLSA-N 492.492 2.165 30 10 JEEE C[C@@H]1CN(Cc2cc(=O)c(OCc3ccc(C#N)cc3)cn2CCN2CCOCC2)C[C@@H](C)O1 1870348237 PHFXVUNSPJZFGY-NHCUHLMSSA-N 466.582 2.240 30 10 JEEE COc1cc(/C=N/n2c(SCCO)nnc2[C@@H]2CC(=O)N(C(C)(C)C)C2)cc(OC)c1OC 1874280742 ZKMCROIVVRZDIG-AQXNZCSYSA-N 477.587 2.385 30 10 JEEE COc1ccc(OCc2nnc(SCC(N)=O)n2/N=C/c2cccc(OC)c2OC)cc1 1874292522 IAKYPGCEXSKXCX-FOKLQQMPSA-N 457.512 2.343 30 10 JEEE COc1ccc(/C=N/n2c(Cc3ccccc3[N+](=O)[O-])nnc2SCC(N)=O)c(OC)c1 1874295091 JGCJRSXYDVYANN-SSDVNMTOSA-N 456.484 2.254 30 10 JEEE COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)N1CCC(N(C)c2cc(C#N)ccn2)CC1 1891304465 HTJNVTJEGBXZHJ-UHFFFAOYSA-N 462.485 2.388 30 10 JEEE C#CCn1ncc(N[C@H]2COCCN(C(=O)OCc3ccccc3)C2)c(Br)c1=O 2106027181 BYKJFMZSXZESGK-MRXNPFEDSA-N 461.316 2.089 30 10 JEEE Cc1nc(I)c(NC(=O)[C@@H](N)CCCCC#N)c(I)n1 2178367459 KIDRUMPTLFBNOB-QMMMGPOBSA-N 499.094 2.344 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N1C[C@@H]2[C@H](C1)CN(C(=O)OC(C)(C)C)[C@H]2CO 2227292524 BTJCJVHPUSIWEG-TVFCKZIOSA-N 466.579 2.260 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(Cl)s2)[C@H](O)C1 2255840393 MFMREJXDZCQNGD-QWHCGFSZSA-N 472.800 2.411 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@](O)(CCNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)C1 2267277558 QPRNCNSGVBZYDU-QFIPXVFZSA-N 450.341 2.071 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](CO)[C@@H](NC(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2267592027 JVVPFPPPLQOTLI-HOCLYGCPSA-N 466.409 2.395 30 10 JEEE Cn1ncc(CNC(=O)OC(C)(C)C)c1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2268651971 CUGAURBUAIHGHC-UHFFFAOYSA-N 463.369 2.453 30 10 JEEE CN(C)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1Oc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2269068098 BABXRXYCYGXCGQ-IAGOWNOFSA-N 451.348 2.448 30 10 JEEE C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2269699806 MXUDGARFKIGNIF-GUYCJALGSA-N 452.332 2.015 30 10 JEEE C=C(CS(=O)(=O)N(C)CC1(O)CCN(Cc2ccccc2)CC1)B1OC(C)(C)C(C)(C)O1 2270914170 HJQZHTPXJQHXKU-UHFFFAOYSA-N 464.437 2.463 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@@]2(C(=O)Nc3cc(B4OC(C)(C)C(C)(C)O4)ccn3)CO[C@H]1C2 2280874439 YORDOMROMBNLEZ-KXNSMUHISA-N 459.352 2.392 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(F)cc2B2OC(C)(C)C(C)(C)O2)[C@@H](CO)C1 2281785630 ALCZMCIWDKOGMV-MRXNPFEDSA-N 464.343 2.179 30 10 JEEE CC(C)(C)OC(=O)N(CCO)C1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)CC1 2281996634 QWCBDVMEJNHGFL-UHFFFAOYSA-N 481.424 2.276 30 10 JEEE CCn1cc(C(=O)N2C[C@H](NC(=O)OC(C)(C)C)C3(CC3)C2)nc1B1OC(C)(C)C(C)(C)O1 2282039198 RJOCHLKDRNRKKI-INIZCTEOSA-N 460.384 2.332 30 10 JEEE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1N(C)C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2282051122 GCRLNQVFWUSWRI-RDJZCZTQSA-N 462.400 2.437 30 10 JEEE Cc1c(B2OC(C)(C)C(C)(C)O2)cccc1C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O 2282111190 QURIKGNINPWSKO-APWZRJJASA-N 460.380 2.252 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1COCCN1C(=O)c1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2282402724 KDUQUXZOZKZZNE-MRXNPFEDSA-N 464.343 2.491 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2CCN(Cc3ccccc3)CC2(C)C)n1 2282489146 FPBAOSSNJBCLDU-UHFFFAOYSA-N 474.436 2.004 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1COC[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn1C1CC1 2282547895 SURXXMJPJLHYHZ-IRXDYDNUSA-N 461.368 2.144 30 10 JEEE 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)c1 2282680127 KETNIVCJAZTJHJ-OALUTQOASA-N 460.380 2.394 30 10 JEEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1CN(Cc2ccccc2)C(C)(C)C1 2282698268 AVMVIWUEJJQHAQ-GOSISDBHSA-N 453.396 2.145 30 10 JEEE CO[C@H]1C[C@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)N(C(=O)OC(C)(C)C)C1 2283964231 MKAYPGJWWZPRLZ-GOEBONIOSA-N 465.331 2.483 30 10 JEEE CCc1nc(C(=O)NCCN(CC(=O)O)Cc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)s1 2284339873 UUXYQOGLQXJGNC-UHFFFAOYSA-N 473.404 2.321 30 10 JEEE COc1ccc([C@H]2C(=C(O)c3ccccc3)C(=O)C(=O)N2CCN2CCOCC2)cc1OC 2297739631 IOPKYFGPDBBFST-QFIPXVFZSA-N 452.507 2.458 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1Oc1ncc(Cl)cc1B1OC(C)(C)C(C)(C)O1 2339440597 LKMLLQBVOMSFFW-CABCVRRESA-N 488.799 2.103 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)n1C 2362332426 NHHGDSJDGFDJSO-GOEBONIOSA-N 462.400 2.403 30 10 JEEE Cn1cnc(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 2362351829 KHLHUPREESQUOF-HRCADAONSA-N 460.384 2.095 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](CNC(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)N2CC[C@H]1C2 2368743506 WZKGWDNPOOBYBQ-HOTGVXAUSA-N 477.436 2.471 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@](Oc2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)(C(N)=O)C1 2371931257 QUQBPLGZLVAQLB-JOCHJYFZSA-N 465.331 2.154 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)NC[C@@H](c3ccc(OC)c(OC)c3)N3CCOCC3)cc2C1=O 30032608 DRWOJVNZHVMIJG-NRFANRHFSA-N 479.533 2.289 30 10 JEEE CCOc1cc([C@H]2/C(=C(/O)c3cccc([N+](=O)[O-])c3)C(=O)C(=O)N2CCOCCO)ccc1O 103122045 YVRZAGBVNCZWMH-LCPUNJGISA-N 472.450 2.130 30 10 JEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc([C@@H]3C[C@@H]3C)o2)c(=O)n1-c1ccccc1C#N 604001490 HJGQHEXLJYEGPN-MAUKXSAKSA-N 456.527 2.292 30 10 JEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(Br)cc2)c(=O)n1-c1ccccc1C#N 604002390 SHUGTPFFIQRWOR-UHFFFAOYSA-N 491.370 2.338 30 10 JEEE CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(C#N)cc3F)CC2)o1 609229202 VKEWIHHLPGWTPX-UHFFFAOYSA-N 463.487 2.184 30 10 JEEE NS(=O)(=O)c1ccc(NC(=O)CSc2n[nH]c(NN=Cc3ccccc3Cl)n2)cc1 1084599432 IVMZPHOOVQGCBQ-UHFFFAOYSA-N 465.948 2.282 30 10 JEEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1 1156440515 HHKWHSFFJZXVSN-CYBMUJFWSA-N 453.351 2.427 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H](c1ccc(C)cc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1286398733 NUKWPMIKISKXFZ-BHIFYINESA-N 471.627 2.368 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CCN1CCN(C)C(C)(C)C1 1286456888 ZNUDUDHIGWEKDY-NRFANRHFSA-N 467.593 2.034 30 10 JEEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1286499677 UGIKAQMJVGEWFY-KRWDZBQOSA-N 483.598 2.009 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1286538890 SZLBOYCDXIQRLI-QZTJIDSGSA-N 481.439 2.214 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccc2F)nnc1N1CCO[C@@H](CNC(C)=O)C1 1286558364 OAJCSQVBKPARJK-QTEQDKRBSA-N 457.550 2.331 30 10 JEEE C=C(Cl)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)OC)CC1 1286628929 HUYBBGMHPQIQLA-OAHLLOKOSA-N 470.958 2.227 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCN(C)C(=O)[C@H]1C 1286791925 HNSYKJGKAVUVGN-GOSISDBHSA-N 454.575 2.258 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)C(C)C)CC1 1286795026 DKCGMUZXSCRMPQ-LJQANCHMSA-N 452.559 2.147 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc3ccccc3o2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1286814585 CUGNWKYVTCXULR-QGZVFWFLSA-N 478.596 2.306 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(Cc2ccccc2)C[C@@H]1C 1286821033 YRBLLPCRMDIXQS-FPOVZHCZSA-N 459.616 2.094 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)ccc2C)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1286824475 YSZSWRJZGGIXTP-IFMALSPDSA-N 490.626 2.459 30 10 JEEE CNC(=O)C(C)(C)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCO[C@@H](C#N)C1 1298920380 BUWHPHGYDMXCET-AWEZNQCLSA-N 477.363 2.217 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OCCCC)c(OC)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1300290632 OCTQRYKZAVJAJZ-HXOBKFHXSA-N 476.599 2.140 30 10 JEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1CCc1cccnc1)[C@@H]1CCS(=O)(=O)C1 1300502810 XWPYTXYUBXTOBL-JOCHJYFZSA-N 479.606 2.336 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1300890253 GFOQWFSYCLHAIE-QKLQHJQFSA-N 493.655 2.264 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1300891169 JTKPRBOGOCCQLT-ATIYNZHBSA-N 496.656 2.263 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](CNC(C)=O)C1 1300895443 SBOYVMCJPBGVBB-WIYBCGNWSA-N 461.607 2.336 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CCCCO3)n2CCNS(=O)(=O)Cc2ccon2)CC1 1301126324 TYFDZBSKPXVNMB-GOSISDBHSA-N 450.565 2.030 30 10 JEEE COCC[C@@](C)(O)Cn1c([C@@H]2CCOC2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1301448231 FZPNSBDYSKJJOO-RCZVLFRGSA-N 468.602 2.153 30 10 JEEE COC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCCCC2)CC1 1315129661 IAWRLNJJRYWDKX-UHFFFAOYSA-N 454.531 2.312 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1c(CC)nn(C)c1OC 1358890159 LVGVUKHSJBIUJD-LPHOPBHVSA-N 487.605 2.397 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCc1cc2ccccc2o1)[C@H]1CCS(=O)(=O)C1 1358954911 ALJQRUSFRXAJPE-SFHVURJKSA-N 469.567 2.032 30 10 JEEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1C[C@@H]1CCOC[C@H]1OC)[C@@H]1CCS(=O)(=O)C1 1358956221 BYWLFIUPWOUOOY-WBADGQHESA-N 486.638 2.498 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CC(F)(F)CO1)[C@@H]1CCS(=O)(=O)C1 1358959200 DNQDEHVKSDOUCB-CABCVRRESA-N 471.917 2.044 30 10 JEEE C#CCN(c1nnc(CC)n1C[C@H]1CC2(CC2)CN1C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1358963793 OEKQBCRCVJZDKU-ZWKOTPCHSA-N 477.631 2.257 30 10 JEEE C#CCN1CCN(c2nnc(CCCc3ccccc3)n2CCCN2CCC(O)CC2)CC1 1359038387 URIAEXSOVVYYLS-UHFFFAOYSA-N 450.631 2.055 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCCCCN2CCCC2)CC1 1359044310 BUOWTCIFGWAZOK-JOCHJYFZSA-N 456.635 2.404 30 10 JEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1359048409 PSMZKUFKVXCSJH-UHFFFAOYSA-N 469.571 2.115 30 10 JEEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1359090207 WVYXSGKWSCNJII-KSZLIROESA-N 497.438 2.493 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(NS(C)(=O)=O)CC1 1359094871 GWGCTOLKVTYWFX-PZJWPPBQSA-N 470.599 2.316 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1359098264 ZICGYQMBFLFTJM-GGPKGHCWSA-N 460.579 2.125 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCCc1ccc(OC)cc1 1359150516 ACILQWALZKHZIK-IBGZPJMESA-N 484.022 2.441 30 10 JEEE C=C(Cl)Cn1c(CCCc2ccccc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1359154632 WWUVYOXSABGIOG-UHFFFAOYSA-N 471.005 2.477 30 10 JEEE C=CCC(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1359191234 SGHCSXAGHOVJGR-HNNXBMFYSA-N 451.618 2.495 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1359293622 VRDZOAFXJBKAPH-HOTGVXAUSA-N 460.510 2.136 30 10 JEEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2nc(CC)ns2)CC1 1359336420 PHRNLFFKSYNZSN-UHFFFAOYSA-N 450.638 2.076 30 10 JEEE C=CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1359338558 ZXCBJWJGKIMGRK-MSOLQXFVSA-N 493.611 2.229 30 10 JEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2C[C@H](CCN3CCCC3=O)c3ccccc32)c1 1445326821 SGTKQIQNDIAGEU-IBGZPJMESA-N 451.548 2.355 30 10 JEEE C#C[C@H](NC(=O)c1ccc(NC(=O)C[C@H]2SC(N3CCCC3)=NC2=O)cc1)[C@H]1CCCO1 1448020053 JWZUREQOFSACTR-IPMKNSEASA-N 454.552 2.020 30 10 JEEE C=CCN(CCC#N)C(=O)c1cc(S(=O)(=O)NC[C@@H]2CCCO2)ccc1Br 1450198900 UPHVEJZDLHDPGQ-AWEZNQCLSA-N 456.362 2.448 30 10 JEEE C[C@H]1CC[C@H](C)N1CCN1CCN(S(=O)(=O)c2ccc(C#N)c(Br)c2)CC1 1463000597 FOTHZEBPAJOTAK-HOTGVXAUSA-N 455.422 2.500 30 10 JEEE CCOCc1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CCNC(=O)c1ccco1 1503121760 FHXLYBAIDGITFW-HXUWFJFHSA-N 450.499 2.287 30 10 JEEE CO[C@]1(Cn2c(-c3ccc(Br)s3)nnc2N2CCO[C@H](C#N)C2)CCOC1 1504045729 CKSSPXYNHSSTEE-PXAZEXFGSA-N 454.350 2.303 30 10 JEEE N#C[C@@H]1CN(c2nnc(Cc3cccnc3)n2CCCn2cc(Br)cn2)CCO1 1505322725 AIMHTJIRCVGDHV-QGZVFWFLSA-N 457.336 2.042 30 10 JEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](Oc2ncccc2F)C1 1507557756 STTTUWJLVOYWFH-SJORKVTESA-N 464.567 2.274 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](Oc2ccccc2)C1 1507589427 WWBVFGVVIMHEAM-NHCUHLMSSA-N 473.599 2.072 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](CC)OC 1507711754 YYUWTCKUZDGALI-ZWKOTPCHSA-N 451.568 2.098 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(C(=O)N(CC)CC)cc2)CC1 1507732570 WODCRHNGKDARQH-QFIPXVFZSA-N 450.587 2.068 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)OCC)CC1 1507805716 NRNKWJMRZZRKPY-PKOBYXMFSA-N 469.546 2.185 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N(C)Cc1ccc(C(N)=O)cc1 1507806349 MXLJYENYVGOQDQ-KNQAVFIVSA-N 452.559 2.117 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(O)CCOC1 1507821332 YZPDPXADPBRDMT-VGSWGCGISA-N 451.568 2.140 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CC[C@](C)(CC)O2)CC1 1507901784 GAJQVZNWYSZHNW-DXIQSLLYSA-N 467.636 2.361 30 10 JEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2cccc(OC)c2)C1 1507968570 VLOLTYXLBLAAKX-CTNGQTDRSA-N 476.599 2.359 30 10 JEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cc(OC)c(OC)cc1SC 1508059469 VDNHDUPQNGYMGY-SFHVURJKSA-N 497.643 2.173 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@@H](C(F)(F)F)C1 1508079471 XAUZEPHVPYNXOI-MRXNPFEDSA-N 455.437 2.032 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1508081749 OHFUFKGKJONYED-OAHLLOKOSA-N 452.481 2.329 30 10 JEEE C[C@H](CC#N)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccc(N2CCOCC2)nc1 1509948985 FXFLUSXXQOLFJS-GOSISDBHSA-N 495.609 2.367 30 10 JEEE C[C@H](CC(N)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCNc1nccc(C(F)(F)F)n1 1509963911 HQFAULXZJXQFMX-CYBMUJFWSA-N 473.463 2.438 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1Cc1cc2c(cc1OC(F)F)OCO2 1510147745 CYBHPDHXNNNGSJ-VXGBXAGGSA-N 486.501 2.005 30 10 JEEE C#CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1539044808 IRHYKHPVBPIMFA-UHFFFAOYSA-N 458.588 2.032 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1CC1(N(C)C)CCCC1)[C@@H]1CCS(=O)(=O)C1 1539224200 CZBWBORVKNXSGB-LJQANCHMSA-N 476.672 2.135 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H](C)COc1ccccc1OC)[C@@H]1CCS(=O)(=O)C1 1539231032 NRZMWENUGHSBGH-WOIUINJBSA-N 488.610 2.480 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H](C)CNC(=O)OC(C)(C)C 1539257258 HLCQBMQSCMKJTH-GOSISDBHSA-N 489.580 2.426 30 10 JEEE C#CCN1CCN(c2nnc(C(C)(C)C)n2C[C@@H]2C[C@@H]3COC[C@@H]3N2C(=O)OC(C)(C)C)CC1 1539428154 NKTISLQPIHALKR-AABGKKOBSA-N 472.634 2.355 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@H]2CCCN2CC)CC1 1539434880 XAAHIMLLSZFLCI-HXUWFJFHSA-N 468.602 2.210 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@@H](C)Oc2ccc(C)cc2)CC1 1539477621 SXITUCATRPVTOM-LJQANCHMSA-N 459.554 2.477 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2oncc2C1)C(C)C 1540150911 AESDLWXAMPJLSV-AZUAARDMSA-N 474.631 2.430 30 10 JEEE C#CC[C@@]1(C(=O)N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)CCCN1C(=O)OC(C)(C)C 1540549089 BSXMRFIEVPJMSS-NLFFAJNJSA-N 454.571 2.150 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1540866749 YWVOXYMQRBJTPS-MRXNPFEDSA-N 461.885 2.309 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@]2(CCSC2)C1 1540871650 QFAPIVUSPDOFHE-GAJHUEQPSA-N 492.646 2.222 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccccc2S(=O)(=O)N(C)C)C1 1540896032 DYWOZNWNTXMDHF-RBUKOAKNSA-N 461.588 2.210 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2cccc(F)c2[C@@H]1C 1540903662 GQNSWLLOGRUTAQ-DOTOQJQBSA-N 482.603 2.044 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCOc1ncccc1F 1541111645 AGHXYTMYZBIQGY-HNNXBMFYSA-N 462.489 2.401 30 10 JEEE CN(CCC(F)(F)F)c1nnc(COc2ccc(C#N)cc2)n1CCNC(=O)c1cc[nH]n1 1554251948 BDISIEOCEAYDBO-UHFFFAOYSA-N 462.436 2.270 30 10 JEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(N4CCCC4=O)cn3)CC2)cc1 1566573312 BGVDWCGFGSFLHO-UHFFFAOYSA-N 453.524 2.119 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1CCc2ccccc2C1 1587641193 YMRCFKRVXHUUFJ-NQIIRXRSSA-N 455.628 2.475 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC(C)(C)COC)[C@@H]1CCS(=O)(=O)C1 1588030354 SWRCJYKROAWJHM-HXUWFJFHSA-N 487.626 2.447 30 10 JEEE C#CCN(c1nnc(CSc2ccc(C)cc2)n1CCNC(=O)C(C)C)[C@H]1CCS(=O)(=O)C1 1588075149 ZATIVWANWBNTSQ-IBGZPJMESA-N 489.667 2.278 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(CN2CCO[C@H](C)C2)c1 1588078138 BQEAIGONZVLXQT-OAQYLSRUSA-N 483.576 2.267 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@]1(O)CCCC1(C)C 1588595375 RPPPZCPETXDSNH-XMMPIXPASA-N 489.642 2.223 30 10 JEEE C=C(C)Cn1c(COc2ccc(Br)cc2)nnc1N1CCN(C(=O)COC)CC1 1593666683 PNSWQFLTQXQGKE-UHFFFAOYSA-N 464.364 2.491 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCO[C@H](CC)C1 1595545245 STRMVSYGGHJRSG-QZTJIDSGSA-N 462.595 2.310 30 10 JEEE CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1614987799 IFJYSCIEXCRIPU-UHFFFAOYSA-N 483.573 2.312 30 10 JEEE CCOCc1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1C[C@@H]1CCCCS1(=O)=O 1616957263 ALQUITZULSACAB-VQTJNVASSA-N 459.572 2.231 30 10 JEEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cnc(-c3ccc(C(F)(F)F)cc3)s2)CC1 1650846443 XKGYWVBQSNFJHK-UHFFFAOYSA-N 458.487 2.054 30 10 JEEE C=CC[C@@]1(C(=O)N[C@H]2CCCN(CCN3CCOCC3)C2)CCCN1C(=O)OC(C)(C)C 1650978251 VBFOBBYHQAHFAF-RDPSFJRHSA-N 450.624 2.245 30 10 JEEE COc1ccc(C[C@H](CO)CNS(=O)(=O)c2cc(Br)ccc2C#N)cc1O 1661719175 HWTBJFZRLBBOCE-ZDUSSCGKSA-N 455.330 2.164 30 10 JEEE C#CCn1ccc(CN(CC)S(=O)(=O)c2ccc(OC)c(NC(=O)c3ccccn3)c2)n1 1663734116 LEJVXMKWYRFDDA-UHFFFAOYSA-N 453.524 2.383 30 10 JEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H](CO)c2nc(-c3ccccc3)no2)cc1 1667956934 UMHMTMWERZRKRP-GOSISDBHSA-N 457.512 2.398 30 10 JEEE CC[C@H](C#N)Oc1cc(CNC(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)ccc1OC 1679046687 GQEXWLJYPNIRTM-GOSISDBHSA-N 451.531 2.322 30 10 JEEE C#C[C@H](NC(=O)NCc1cccc(-n2cc(CNC(=O)OC(C)(C)C)nn2)c1)[C@H]1CCCO1 1681593116 NMGMMSVAAHOMJQ-VQTJNVASSA-N 454.531 2.272 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(F)cc2Br)n1CCNC(=O)c1cc[nH]n1 1689839991 QMYJCVTZXLYAHF-GFCCVEGCSA-N 460.311 2.458 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1c[nH]c2c(CC)cccc12 1689852452 FLAODFMOLJLKQM-UWJYYQICSA-N 484.626 2.355 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](CC)Oc1ccccc1F 1689853242 QIRCHIRPVKMJGS-SQGPQFPESA-N 479.578 2.066 30 10 JEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(NC(N)=O)cc1 1689966718 ZYYOUQSGTZVMLU-SFHVURJKSA-N 469.546 2.195 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1CCc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1689986080 IIGBXVCGVZCDGG-FQEVSTJZSA-N 451.552 2.218 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCc1cc(C(F)(F)F)ccn1)[C@H]1CCS(=O)(=O)C1 1689991167 XLDLWKOWUCLCEF-LPHOPBHVSA-N 497.543 2.455 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@@H](C1CC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1689993607 HXSWMCYAUKMFAD-VXKWHMMOSA-N 455.628 2.030 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccccc2OC)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1690098990 YVGVITNIASNXLU-TZIWHRDSSA-N 487.626 2.244 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1690152610 RMZZYSZRESZVLC-LEWJYISDSA-N 487.988 2.016 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCCCS1(=O)=O 1690259574 OCDBSJSQSFXFQK-LJQANCHMSA-N 456.576 2.291 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)N1CCN(CC)CC1 1690565608 NSXZJVSCSAPOJL-GMAHTHKFSA-N 486.686 2.399 30 10 JEEE C#CCCCCn1c(COc2ccc(OC)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1705520874 JJAODXKEJQHNND-QFIPXVFZSA-N 467.570 2.497 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CCSC1(C)C)[C@@H]1CCS(=O)(=O)C1 1705561094 NGZHOQLDDNQROD-HMFYCAOWSA-N 482.672 2.089 30 10 JEEE C#CCN(c1nnc(C2CC2)n1CCOc1cccc(C(F)(F)F)n1)[C@@H]1CCS(=O)(=O)C1 1705566948 SASFQYDWPSISFH-OAHLLOKOSA-N 469.489 2.275 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCc1cccs1)[C@H]1CCS(=O)(=O)C1 1705567902 BWKSBSKZTVPQRR-SFHVURJKSA-N 458.613 2.071 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1CC1(COC)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1705571503 ZVGGEDCVERNWNP-HXUWFJFHSA-N 490.601 2.078 30 10 JEEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 1705630513 VVTLSOGZPUVRAY-LJQANCHMSA-N 474.606 2.134 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccc(C)n3)n2C[C@H]2CCCCS2(=O)=O)n1 1705632260 YHMOVUDATOOAMA-OAQYLSRUSA-N 497.625 2.099 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OC)n2C[C@H]2OCC[C@H]2C)CC1 1705651504 YYBRNVSRUPBCHF-XMSQKQJNSA-N 467.570 2.257 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCc2nccc(C(F)(F)F)n2)CC1 1705652465 AKMZSTWPKULVOC-MRXNPFEDSA-N 477.491 2.147 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C(CC)CC)N1CCOCC1 1705675027 VOEMLDDPESRTBG-AWRGLXIESA-N 477.675 2.309 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1705693506 HKBJGTDGDJZXAV-RBUKOAKNSA-N 479.647 2.335 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1CCOC1=O 1705860149 NLBKXKYRRWMECP-HXUWFJFHSA-N 484.582 2.087 30 10 JEEE C=CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1705887024 ZHKCDXWYPGNTOJ-UHFFFAOYSA-N 479.603 2.407 30 10 JEEE C=CCn1c(N2C[C@@H](C(=O)OC)[C@H](CNC(=O)OC(C)(C)C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1705893282 AOPSKORMQIKZNC-QZTZHPFYSA-N 493.605 2.255 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCC(c2cnn(C)c2)CC1 1705907907 BLPJTVSZCNGFOY-UHFFFAOYSA-N 465.558 2.285 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1705935437 RLJMFNHDQHPZSF-KRWDZBQOSA-N 481.569 2.053 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1705935486 SPGKKJWJSXCROU-MRXNPFEDSA-N 497.568 2.463 30 10 JEEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1705946328 FMYGTNZSOMSXOC-MSOLQXFVSA-N 487.692 2.314 30 10 JEEE CCC[C@@H](C)C(=O)NCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1709457819 CANFKXIWLNOHQR-WIYYLYMNSA-N 481.601 2.418 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](Cc2ccccc2)C1 1722332343 JHSKJWAKVILHJN-RTWAWAEBSA-N 457.600 2.093 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@@H](C)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1722364701 ATONBOZZWINKPD-SJORKVTESA-N 467.636 2.407 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1ccc(C)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1722367300 VJWQEPZJBAIMEQ-OAQYLSRUSA-N 465.579 2.256 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)NC(CC)CC)n1C[C@H]1CCCN1c1cnn(C)c1 1722387349 JWXVDBCZORENIU-HXUWFJFHSA-N 450.591 2.062 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1722392136 IBZAJSHAPSGJIH-GOTSBHOMSA-N 476.606 2.484 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2c(c1)[C@@H](C)[C@@H](C)O2 1722414293 ZDBVLQDRPRZGLL-FVJLSDCUSA-N 473.599 2.003 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H]2CCCN2CC)CC1 1722443318 RCSGAQSIKWSIJS-IBGZPJMESA-N 455.994 2.444 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2CC2CCN(C(C)=O)CC2)CC1 1722448914 CPRGSZKKBJXFIZ-UHFFFAOYSA-N 492.624 2.390 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2C[C@H]2CCOC[C@H]2OC)CC1 1722449618 WHAOWAHCLUGCIJ-IFMALSPDSA-N 469.561 2.025 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC2(N(C)C)CCCCC2)CC1 1722452000 AKLVNQNYDIUESK-VXKWHMMOSA-N 486.661 2.232 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccn2C)nnc1N1CCC(CNS(C)(=O)=O)CC1 1722509842 ZDWHSYAVHZEXLV-UYAOXDASSA-N 462.620 2.030 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(Cc2ccc(OC)c(F)c2)CC1 1722700202 ACSZDMDWIDRZQQ-UHFFFAOYSA-N 479.560 2.036 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(OC)cc2OC)C1 1722719728 YZFDUUMDHANKTA-PKOBYXMFSA-N 462.572 2.027 30 10 JEEE CC(C)CN1C[C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCCC(=O)N(C)C)CCN2C1=O 1723446133 AXRJFUMAGNTVMT-NRFANRHFSA-N 478.601 2.267 30 10 JEEE CCN(C1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cnn(CC)c2)CC1)S(C)(=O)=O 1728332984 AMDMLMQSPQXGQA-UHFFFAOYSA-N 482.614 2.332 30 10 JEEE COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(C)Cc2ccccc2C1 1730762167 AVVAVWUHMZZDLK-FQEVSTJZSA-N 457.600 2.352 30 10 JEEE C#CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1740589149 PUJLFGMAVRGQTP-IBGZPJMESA-N 492.605 2.105 30 10 JEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CCc1nccc(C(F)(F)F)n1 1740641894 OVRVDBKQQYENJM-UHFFFAOYSA-N 473.484 2.394 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(OC)cc(OC)c2)n1CC1(S(C)(=O)=O)CCC1 1740646974 GNMGMAVXKCCOQQ-UHFFFAOYSA-N 456.568 2.393 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1CCS(=O)(=O)C1 1740655259 CKWACADBODHVGN-PMACEKPBSA-N 489.642 2.290 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2CCNC(=O)[C@@H](C)CCC)CC1 1740704063 JJVWYLRJQOUULW-IBGZPJMESA-N 450.587 2.463 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OCC)c(OC)c2)n1CC(=O)N1CCOCC1 1740729668 KTAZAXVXGJXLCZ-XMMPIXPASA-N 453.543 2.203 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccccc2F)C[C@@H]1C 1740821409 GMGSMZHZJRCYPD-LPHOPBHVSA-N 499.012 2.218 30 10 JEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](Cc2ccccc2)C1 1740887956 NFZLAUMQDNKYAH-NHCUHLMSSA-N 460.600 2.221 30 10 JEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(NC(=O)CCC)cc1 1740900203 WEJAXDQAGVOLEQ-LJQANCHMSA-N 476.603 2.020 30 10 JEEE C=CCn1c(CNC(=O)c2cccs2)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1740948535 LZEZMRSAPPWZMA-UHFFFAOYSA-N 450.524 2.188 30 10 JEEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 1740951008 PIKPOQLIXBLYOR-UWJYYQICSA-N 458.538 2.088 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1740960990 IQVUOHVKXDTZKZ-FQEVSTJZSA-N 473.021 2.373 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2CCS(=O)(=O)CC)C1 1740974300 KQOHJZDARNTLNQ-HNNXBMFYSA-N 472.409 2.262 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(OC(C)C)nc2)C1 1740981023 NLGBCHYJWAFJKQ-MOPGFXCFSA-N 461.588 2.192 30 10 JEEE C=CCSCCn1c(C2CC2)nnc1N1C[C@@H]2[C@H](C1)[C@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1741001458 UZSOHHSKBZCTNM-BRWVUGGUSA-N 483.660 2.201 30 10 JEEE CCc1cnc(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)s1 1744431301 BUEJLYGUFVILTQ-INIZCTEOSA-N 472.596 2.419 30 10 JEEE CN(Cc1ccc(C#N)cc1)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCCS(=O)(=O)C1 1747704151 CQCURRLBDHDSEL-IBGZPJMESA-N 479.566 2.258 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1CC[S@](=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1748810414 VVGDXQMDZXEYAZ-PBYQXAPXSA-N 462.641 2.427 30 10 JEEE COc1cccc([C@H](Cn2c(Cn3nc(C)cc3C)nnc2N2CCO[C@H](C#N)C2)N(C)C)c1 1748898049 DWDVWFWOEOWTCZ-YADHBBJMSA-N 464.574 2.180 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@H]2CC[C@@H](F)C2)CC1 1748979691 JGBBYWMTVGAYKD-AZUAARDMSA-N 474.606 2.089 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2C[C@@]2(N(C)C)CCSC2)CC1 1749010910 SBHFMXNYQKCKPT-VWLOTQADSA-N 482.654 2.357 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1749129746 HQMZWJXPPKJJLA-NSHGMRRFSA-N 467.636 2.014 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccc2OC)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1749133949 RWEYISCKRYFUJI-QTEQDKRBSA-N 489.642 2.377 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](c2ccc(F)cc2)N(C)C)CC1 1749304090 UNLNUWWAFQSONH-RTWAWAEBSA-N 492.621 2.209 30 10 JEEE C=CC1CCN(c2nnc(CN3CCCC3=O)n2CCNS(=O)(=O)c2ccc(C)s2)CC1 1749348367 POKMGTPVCUXQLF-UHFFFAOYSA-N 478.644 2.151 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1749354447 QDXGLSCSRAGQGQ-HZPDHXFCSA-N 480.639 2.065 30 10 JEEE C=CCCOCCn1c(N2CCN(C(=O)NC(C)(C)C)CC2)nnc1[C@]1(OCC)CCOC1 1749460514 CBZVJABXKCKSOC-QHCPKHFHSA-N 464.611 2.153 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCN(c3ccccc3F)C2)C1 1749699054 YYVRACDKQDBFEG-IPMKNSEASA-N 492.621 2.335 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1749730082 YZZAQJVKFRVCAF-QGZVFWFLSA-N 460.585 2.284 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1749731302 AZRBSQQRHKLMLK-KRWDZBQOSA-N 482.676 2.124 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCSCC1 1760117901 VOQCJFAXALAGLN-MSOLQXFVSA-N 464.636 2.093 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCC[C@@H]1OC)[C@H]1CCS(=O)(=O)C1 1760191697 LUSBJOHSNFPDSX-ONTIZHBOSA-N 483.594 2.171 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](OC)C(C)C 1760241992 QJQWSFUNBNURNL-LEWJYISDSA-N 493.605 2.061 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1760247521 DTKMQMGPZHQFFL-REPLKXPHSA-N 464.570 2.482 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(F)ccc3Br)n2CCCC(=O)N(C)C)CC1 1760254840 MUPCZRJJJIHJFJ-UHFFFAOYSA-N 477.382 2.470 30 10 JEEE C#CCSCCn1c(COc2ccccc2F)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1760285741 PRFIGNSDRYXDJJ-UHFFFAOYSA-N 495.584 2.183 30 10 JEEE C=C(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1760347960 INVFMCNVLBWFMX-UHFFFAOYSA-N 463.586 2.439 30 10 JEEE C=C1CCN(c2nnc(-c3cc(Br)cn3C)n2CC2(O)CCS(=O)(=O)CC2)CC1 1760383520 SDRNDUOFNRTLKZ-UHFFFAOYSA-N 484.420 2.142 30 10 JEEE C=C(Cl)Cn1c(N2C[C@@H]3[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]3C2)nnc1C(C)(C)C 1760388939 YEEMIFXKEATZOO-KFWWJZLASA-N 474.027 2.455 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1760514985 INGXFAGHVBSMBC-INIZCTEOSA-N 488.394 2.388 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCN2CCOC[C@H]2C1 1760519521 HGNNMXIKPNNBSN-OAQYLSRUSA-N 468.602 2.193 30 10 JEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N(C)CC(=O)Nc1cccc(C)c1C 1760527213 OZHXXDYWBNWBFO-UHFFFAOYSA-N 464.574 2.134 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3ccccc3n2)nnc1N1CCN(C(C)=O)C[C@H]1C 1760553111 LMOFTLSSBPTQRP-QGZVFWFLSA-N 468.583 2.151 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1760553988 NWWLSMXQOBFWHM-QFIPXVFZSA-N 461.588 2.024 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1760557064 ZEWPDIDFTVXVNB-GOSISDBHSA-N 458.563 2.336 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCN(c2ncccc2C#N)CC1 1760557584 QECQFIIJRRHDLL-UHFFFAOYSA-N 469.615 2.205 30 10 JEEE CC(C)NC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1761260632 DPCKJQSVKGIKAE-UHFFFAOYSA-N 462.533 2.126 30 10 JEEE COCCn1cc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@H](C(F)(F)F)C2)cn1 1769871539 IFCPIZXIPGTTFN-SFHVURJKSA-N 461.448 2.475 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)Cc1cc(C)on1 1772660160 SCDGEXKZOYQJHY-UHFFFAOYSA-N 459.528 2.250 30 10 JEEE N#Cc1ccccc1S(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc3c(c2)CC(=O)N3)cn1 1858290984 HWGFURUHXRJAFZ-UHFFFAOYSA-N 469.504 2.049 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCO)[C@@H]2c2cc(OC)c(O)c(OC)c2)cc1OC 1862577343 PCTNKCWEHGORDA-HXUWFJFHSA-N 473.478 2.387 30 10 JEEE C=CCOc1ccccc1[C@@H]1C(C(=O)NC2CCCCCC2)=C(N)Oc2c1c(=O)n(C)c(=O)n2C 1865726188 JVHIUBLIGPPMJE-LJQANCHMSA-N 480.565 2.182 30 10 JEEE C=CCn1c(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc2c(N3CCOCC3)ncnc21 1873561808 ZIOQDMGSCPZPOO-UHFFFAOYSA-N 490.564 2.141 30 10 JEEE COC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)(C)C)C2)n1/N=C/c1ccc(O)c([N+](=O)[O-])c1 1874278216 MXPSTQJKICFDMV-FCQRQVBFSA-N 476.515 2.154 30 10 JEEE CCCCc1nnc(SCCO)n1/N=C/c1ccc(OCCN2CCOCC2)c(OC)c1 1874479971 BSERAJJQCZGXRQ-HAVVHWLPSA-N 463.604 2.307 30 10 JEEE N#CCCOCCS(=O)(=O)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1990660315 PLGSERXQWUXTAW-NRFANRHFSA-N 472.519 2.323 30 10 JEEE CC(C)(C)OC(=O)NCCC(CCNC(=O)OC(C)(C)C)NS(=O)(=O)CC1(C#N)CC1 2025356338 BRTUFUDQTAZEMG-UHFFFAOYSA-N 460.597 2.408 30 10 JEEE COc1cc(C=CC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)ccc1OCC#N 2042444146 IKQPNIYNZZSEHJ-UHFFFAOYSA-N 459.499 2.283 30 10 JEEE CC(C)(C)OC(=O)NCC(CNC(=O)OC(C)(C)C)NS(=O)(=O)Cc1ccc(C#N)cc1 2054407722 JFAPRNYDGNVNHV-UHFFFAOYSA-N 468.576 2.396 30 10 JEEE CC1(C)OB(c2ccccc2CS(=O)(=O)NC2CN(C(=O)OCc3ccccc3)C2)OC1(C)C 2255800332 RXLKUWAHXPHKCW-UHFFFAOYSA-N 486.399 2.426 30 10 JEEE Cc1nn(C)c(C(=O)N2CC(N(C)C(=O)OCc3ccccc3)C2)c1B1OC(C)(C)C(C)(C)O1 2255824730 NMCPBJWQFXSIOA-UHFFFAOYSA-N 468.363 2.121 30 10 JEEE CC1(C)OB(c2c[nH]c(C(=O)N[C@H]3COCCN(C(=O)OCc4ccccc4)C3)c2)OC1(C)C 2255852872 JKTDBULUZLTTEQ-LJQANCHMSA-N 469.347 2.081 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]1CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2255951116 ZLHGJUGNOBHIJS-WMLDXEAASA-N 452.382 2.177 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](F)[C@@H](C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C1 2256639060 GANMFMKXIDBWSR-QWHCGFSZSA-N 455.361 2.264 30 10 JEEE Cc1c(C(=O)NCCN(C(=O)OC(C)(C)C)C(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2266989414 DHIJBSGIZQTYLV-UHFFFAOYSA-N 450.389 2.403 30 10 JEEE CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1CNC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2267140608 RFADAEOPSZXZNX-GFCCVEGCSA-N 456.299 2.083 30 10 JEEE CCO[C@@H]1C[C@H](NC(=O)OC(C)(C)C)[C@@H]1NC(=O)c1coc(B2OC(C)(C)C(C)(C)O2)c1 2267196635 RQMXEOHIDHVWQN-UXLLHSPISA-N 450.341 2.379 30 10 JEEE CC1(C)OB(c2cncc(S(=O)(=O)N3CCCN(Cc4ccccc4)CC3)c2)OC1(C)C 2267356697 RGWRMYULSLNZLE-UHFFFAOYSA-N 457.405 2.277 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](NS(=O)(=O)Cc2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2267412054 HQLINXFZSJVWKL-QGZVFWFLSA-N 466.409 2.415 30 10 JEEE CC1(C)OB(c2cc(C(=O)NCC[C@H]3CN(Cc4ccccc4)CCO3)ns2)OC1(C)C 2267530429 AFGAXUFKCKWQTF-SFHVURJKSA-N 457.405 2.463 30 10 JEEE CC(C)(C)OC(=O)N1CC(NS(=O)(=O)c2c(F)cc(F)cc2B2OC(C)(C)C(C)(C)O2)C1 2267721763 HECNBOKWNVVQEP-UHFFFAOYSA-N 474.335 2.162 30 10 JEEE CC1(C)OB(c2cc(C(=O)N3CCN(C(=O)OCc4ccccc4)CC3)c(O)cc2O)OC1(C)C 2267806266 VARMURLFAPGYBD-UHFFFAOYSA-N 482.342 2.492 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1)[C@H](O)C(F)(F)F 2268719106 YOFFOLSDXLDPSK-MNOVXSKESA-N 481.302 2.197 30 10 JEEE CC(C)(C)OC(=O)N1CCOCC[C@@H]1C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2269763252 ZNQYRXMCRVVGEX-CQSZACIVSA-N 467.397 2.085 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1COCCN1C(=O)c1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2281757557 DNAKJRBIYYAQOU-MRXNPFEDSA-N 464.343 2.491 30 10 JEEE C[C@@H](O)CN(CCNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1)C(=O)OC(C)(C)C 2281791376 OHBRKTPWUSWYKU-OAHLLOKOSA-N 466.359 2.473 30 10 JEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1C[C@H](NC(=O)OC(C)(C)C)[C@H]2COC[C@H]21 2281803626 ZVALNGWPXNRFDG-IXDOHACOSA-N 462.352 2.251 30 10 JEEE CC(C)(C)OC(=O)N1[C@H](CNC(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)C[C@H]2COC[C@H]21 2281808582 DCFQNWGNZKWKOC-OFQRWUPVSA-N 479.408 2.197 30 10 JEEE CC(C)(C)OC(=O)N1[C@H](CNC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)C[C@H]2COC[C@@H]21 2282029654 VLXDQGFYLDZBNF-DZKIICNBSA-N 479.408 2.197 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CC[S@](=O)(=NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2282039293 SRCBIJXKVLBYKS-RPLXOIEJSA-N 483.371 2.425 30 10 JEEE Cc1ccc(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)c1 2282308672 UVWDXIJQFBAEBW-MNZLEMJZSA-N 478.420 2.438 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](CO)[C@H](NC(=O)c2occc2B2OC(C)(C)C(C)(C)O2)CC1 2282531098 DVGMURLARKPGFK-NVXWUHKLSA-N 464.368 2.317 30 10 JEEE Cn1cc(C(=O)NC2([C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)c(B2OC(C)(C)C(C)(C)O2)n1 2282577813 KBBRVFGWOJYQET-HNNXBMFYSA-N 460.384 2.239 30 10 JEEE Cn1cc(C(=O)N[C@@]23CCC[C@@H]2CN(C(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)n1 2282584028 AUSZFZMFOHIRKD-IQMFZBJNSA-N 460.384 2.239 30 10 JEEE CO[C@H]1CN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2Cl)C[C@@H]1NC(=O)OC(C)(C)C 2282609165 FEQBPNUFIDFCOE-HOTGVXAUSA-N 481.786 2.398 30 10 JEEE CN(CCOCCN(C)C(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2282667484 RQRBHGJUBPQAMF-UHFFFAOYSA-N 463.384 2.336 30 10 JEEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCN(Cc2ccccc2)CC1(C)C 2282695748 SNZNEPOFLZVQJT-SFHVURJKSA-N 453.396 2.145 30 10 JEEE COC[C@H](ONC(=O)OC(C)(C)C)C(=O)NCCc1ccccc1B1OC(C)(C)C(C)(C)O1 2283946201 KLNGQHXOGBYGAK-SFHVURJKSA-N 464.368 2.116 30 10 JEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)N[C@@H]1CCC=C1B1OC(C)(C)C(C)(C)O1 2283964040 NNNDMACOAMLUHS-DOTOQJQBSA-N 484.424 2.247 30 10 JEEE COc1ccc(C(O)=C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cccnc2)cc1OC 2296102831 CCCYCHHHIHVGQS-QFIPXVFZSA-N 467.522 2.243 30 10 JEEE CCc1cccc(OC[C@@H](O)Cn2c(NN=Cc3ccc(C)cc3)nc3c2c(=O)n(C)c(=O)n3C)c1 2328613686 SVPPOMASLNETJT-FQEVSTJZSA-N 490.564 2.190 30 10 JEEE COc1ccc(OC)c(C=Nn2c(CNC(C)=O)nnc2SCC(=O)NCc2ccccc2)c1 2330794394 KLLZDNJQNOYFRF-UHFFFAOYSA-N 482.566 2.222 30 10 JEEE C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2scc(B3OC(C)(C)C(C)(C)O3)c2C1 2336501109 IPNQCAUAUNUQTF-SUMWQHHRSA-N 466.409 2.206 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@](C)(CNC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C1 2337400294 RJECNXYRBNJTAK-NRFANRHFSA-N 467.397 2.198 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2CC[C@H]1[C@H]2NC(=O)OC(C)(C)C 2359266191 JIOORDBLFDBHGV-XIRDDKMYSA-N 460.384 2.330 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C 2362350488 SLKILJYGPBHITG-CABCVRRESA-N 462.400 2.389 30 10 JEEE Cn1nc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H]3CCC[C@@H]32)cc1B1OC(C)(C)C(C)(C)O1 2367686943 MBJPHJLVQZXSNF-IRXDYDNUSA-N 460.384 2.333 30 10 JEEE COc1ccc(/C=N/Nc2nnc(SCC(=O)Nc3nc4ccccc4s3)n2N)cc1O 21316819 DYMLFCDCIIBLOC-ZVBGSRNCSA-N 470.540 2.493 30 10 JEEE C=CCn1cc(/C=N/Nc2nc(SCC(=O)NCCc3ccc(OC)c(OC)c3)n[nH]2)cn1 59831934 VFHRFZUBBQFSME-FOKLQQMPSA-N 470.559 2.101 30 10 JEEE COc1ccc([C@H]2c3c(nc(NCc4ccc5c(c4)OCCO5)[nH]c3=O)NC(=O)[C@H]2C#N)c(OC)c1 72472401 KFLYIOLSKAJSDN-OXJNMPFZSA-N 489.488 2.394 30 10 JEEE CCOC(=O)c1[nH]c(C)c(/C(O)=C2/C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccnc2)c1C 103105271 KBPINALLIYUHDJ-LAGVDGIJSA-N 496.564 2.347 30 10 JEEE CCOC(=O)[C@@H]1CCCN(c2nc(O)c3c(n2)NC(=O)[C@@H](C#N)[C@@H]3c2cc(F)cc(F)c2)C1 256034210 XOKBNUBNQBVACZ-RLCCDNCMSA-N 457.437 2.464 30 10 JEEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)CC1 512713795 HDSZUWMFHBBUIA-QGZVFWFLSA-N 452.515 2.223 30 10 JEEE C#CCN(C(=O)c1ccc(S(=O)(=O)Nc2ccc(C)c(C)c2)cc1)[C@@H]1CCS(=O)(=O)C1 729332457 YEPCOPUAMYPNAP-HXUWFJFHSA-N 460.577 2.367 30 10 JEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC(C(=O)N2CCCCC2)CC1 771608369 ZLEWBMQYJDSKPQ-FQEVSTJZSA-N 474.627 2.391 30 10 JEEE CCc1nnc(CNC(=O)CSc2n[nH]c(NN=Cc3cc(Br)ccc3OC)n2)o1 1084047189 PCRBDYIBVHDUHS-UHFFFAOYSA-N 495.363 2.376 30 10 JEEE Cc1nn(-c2ccccc2)c(N(C)C)c1C=NNc1nc(SCC(=O)Nc2nncs2)n[nH]1 1084136151 IIDPOSFSGJKAIF-UHFFFAOYSA-N 483.587 2.393 30 10 JEEE NC(=O)CSc1nnc(NC(=O)CSc2n[nH]c(NN=Cc3ccc(Cl)cc3)n2)s1 1084194008 MOYFJYDCZJHDAL-UHFFFAOYSA-N 483.992 2.064 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1CCN1CCCS1(=O)=O 1286278649 FKMDPAGGJDPHGM-AWEZNQCLSA-N 482.404 2.210 30 10 JEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1 1286313902 HHSYUBTVRZIKOV-QGZVFWFLSA-N 493.033 2.308 30 10 JEEE C#CCN(c1nnc(C(C)C)n1C[C@H](c1ccc(C)o1)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1286386299 YFNCVHAFXNJIML-WOJBJXKFSA-N 475.615 2.003 30 10 JEEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@@]1(N(C)C)CCSC1)[C@@H]1CCS(=O)(=O)C1 1286386583 DBDJMVQMJPCSBB-VGSWGCGISA-N 477.631 2.148 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@H](C)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1286387960 XEOVOPNZXCWNJO-RBUKOAKNSA-N 459.616 2.311 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1OC1CCCC1 1286397918 RHQDQPVJFXYEAR-GOSISDBHSA-N 455.584 2.331 30 10 JEEE C#CCN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC(=O)NCC(F)F 1286446261 TYSDFECZXVYPLL-UHFFFAOYSA-N 454.522 2.233 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2cc(OC)ccc2OC)CC1 1286483961 BHEBAIXEUPDIPO-UHFFFAOYSA-N 480.594 2.090 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](NC(C)=O)C1 1286545714 ALZVABYVFAEYHA-BJLQDIEVSA-N 453.547 2.012 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2N(C)CCCC2(C)C)CC1 1286662810 ACNHDDUBITZGNO-WOJBJXKFSA-N 480.679 2.134 30 10 JEEE C=CCC(C)(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1286666564 CLAUWDZAEKIAGS-SFHVURJKSA-N 497.579 2.495 30 10 JEEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)Cc1ccccc1OC 1286786381 CZAREZWMNQRWGL-UHFFFAOYSA-N 483.598 2.185 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)c2ccco2)CC1 1286821250 FPLIYHSDHJLILF-UHFFFAOYSA-N 487.557 2.164 30 10 JEEE C=CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)OCC)CC1 1286834790 MSLPPJSIWNBQPK-UHFFFAOYSA-N 464.617 2.467 30 10 JEEE Cc1cc(C)n(CCCn2c(COc3ccc(C#N)cc3)nnc2N2CC(=O)N(C)C[C@H]2C)n1 1290665967 BXEQPZBXIKFMGI-LJQANCHMSA-N 462.558 2.299 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H](C(CC)CC)N(C)C)[C@H]1CCS(=O)(=O)C1 1300504253 KXBAMPBYWQYRLI-SLFFLAALSA-N 451.637 2.123 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1300606236 JNYKIVSTUVITAK-HXUWFJFHSA-N 453.547 2.256 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H]1CCCN(C(C)=O)C1 1300618840 MWYMZIAOFMVTNX-LJQANCHMSA-N 461.570 2.393 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(C(=O)N3CCCC3)n2CC2CC(C)(C)C2)n1 1300675665 FVRGQLACCGEGPA-UHFFFAOYSA-N 453.591 2.433 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CC[C@@H](OC)C(F)(F)F)CC1 1300728638 CISNNLBFOHCFGK-GOSISDBHSA-N 481.523 2.073 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2CC[C@](C)(CC)O2)CC1 1300731704 GVUPGXBHUJTORM-UKDJSQQHSA-N 473.618 2.316 30 10 JEEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1300755915 AMXQVFLEUIZUNB-AWEZNQCLSA-N 470.521 2.445 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1300844754 SFSCIHZMSDOCSK-DBVUQKKJSA-N 495.466 2.460 30 10 JEEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 1301222635 BPNCVPLWLBQLLO-RTWAWAEBSA-N 459.616 2.002 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1301515406 UTVFLDINDPJVEQ-FQEVSTJZSA-N 485.976 2.223 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1CC(=O)NCC(F)F 1302227563 BSUQTAGFHQREEF-RBZFPXEDSA-N 471.484 2.173 30 10 JEEE COc1ccccc1Cc1nnc(N2CCC(CC#N)CC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1315621270 DGUFHXCPEAGXNN-LJQANCHMSA-N 472.615 2.289 30 10 JEEE N#C[C@@H]1CN(C(=O)C2(S(=O)(=O)c3ccccc3)CCOCC2)CCN1Cc1ccccc1 1353331990 CDRWXPMYQXGDOX-OAQYLSRUSA-N 453.564 2.246 30 10 JEEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 1358910986 HVWKTRXFDQKCBV-FQEVSTJZSA-N 452.534 2.063 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CC2(SC)CCN(C)CC2)CC1 1359044224 ZYDCCDYUCOHOLD-UHFFFAOYSA-N 455.632 2.066 30 10 JEEE C=C(C)COCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(C)=O)C[C@@H]1C 1359132889 HPJQZYKPFHUCAN-ICSRJNTNSA-N 492.621 2.236 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(c2ccnn2C)CC1 1359294191 NJXGJVZFPKOHNK-UHFFFAOYSA-N 450.503 2.273 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCN(CCOC)[C@@H](CC)C1 1359296294 DQZXKGVWZBHMTF-FQEVSTJZSA-N 463.586 2.343 30 10 JEEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1359303433 OFBUNRBMKQQRIE-OAQYLSRUSA-N 460.586 2.261 30 10 JEEE C=CC1(CC(=O)N2CCN(CC(=O)NCc3ccccc3)CC2)CN(C(=O)OC(C)(C)C)C1 1440831595 SGZKUHXTLQBGCC-UHFFFAOYSA-N 456.587 2.260 30 10 JEEE C#CCCN1CCC(NC(=O)c2cc(O)nc3ccc(S(=O)(=O)N(CC)CC)cc23)CC1 1465396693 NNDBIVHHULXAQJ-UHFFFAOYSA-N 458.584 2.188 30 10 JEEE COCCn1cc(Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CCO[C@@H](C#N)C2)cn1 1504896464 DEBOXZHHLNFMEL-UZLBHIALSA-N 455.494 2.177 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCN1CCN(C)C(C)(C)C1 1507520603 PWDUQWMIPDRIIK-SFHVURJKSA-N 486.690 2.031 30 10 JEEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1Cc1cccn(CC)c1=O 1507610820 HSMJYSATBXZDCU-UHFFFAOYSA-N 457.538 2.364 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCCN(Cc2ccccc2)C1 1507642103 GTRBWRVPSYBXAM-FYYLOGMGSA-N 482.654 2.263 30 10 JEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cccc(CN(C)C)c1 1507647779 HOXRSAHWOMVIBT-UHFFFAOYSA-N 475.622 2.421 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@H]2NC(=O)CC2(C)C)CC1 1507719893 BSVIAXLFTLZKGX-LJQANCHMSA-N 456.978 2.277 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCC(=O)N2CCCCCC2)CC1 1507740023 WTWWTWKDMBLYFG-NRFANRHFSA-N 470.618 2.278 30 10 JEEE C=C(C)COCCn1c(-c2cccc(C)n2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1507843038 QXURHLFYJPVUMD-HSZRJFAPSA-N 453.547 2.056 30 10 JEEE C=CCN(c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@]1(O)CCS(=O)(=O)C1)C1CC1 1507993816 OWPNIOYKCAPVOL-QHCPKHFHSA-N 495.646 2.097 30 10 JEEE C=CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1cnn(C)c1C 1508041154 HFQGZLNTNVTAPL-UHFFFAOYSA-N 462.558 2.404 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCCC1(C)C 1508140282 MCEMHTWRPWAMLJ-UHFFFAOYSA-N 466.633 2.218 30 10 JEEE CC[C@H](C#N)Oc1cccc(CNC(=O)C2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)c1 1521875097 FGCDPRVHCMYYDV-LJQANCHMSA-N 459.572 2.127 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2CC2(C)COC2)c1 1539040190 ODLUWJRVYVVOBY-VWLOTQADSA-N 467.570 2.411 30 10 JEEE C#CCCCCn1c(-c2cc(Br)cn2C)nnc1N1CCN(CC(=O)NC2CC2)CC1 1539049936 WAVKMBTTXBKNLY-UHFFFAOYSA-N 488.434 2.250 30 10 JEEE C#CCN(c1nnc(-c2cccc3cccnc23)n1CCC(=O)NC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1539211749 OHPFDTLTVOOIFW-IBGZPJMESA-N 494.621 2.425 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1C[C@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1539212228 NWJCFDIHUJGFHR-HRAATJIYSA-N 466.991 2.395 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CC1(CCOC)CC1)[C@H]1CCS(=O)(=O)C1 1539212336 VBWGKFCJFFNECF-FQEVSTJZSA-N 453.568 2.260 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1Cc1ccn(C)n1)[C@H]1CCS(=O)(=O)C1 1539213393 ZFEUHCKJISUUAZ-KRWDZBQOSA-N 474.974 2.016 30 10 JEEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)c2ccsc2)CC1 1539534121 ZFAQJDXLXZYUDI-HKUYNNGSSA-N 475.640 2.392 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 1539613163 WGZMBLAOXJQVMT-CECAUBDESA-N 485.585 2.468 30 10 JEEE C=C(Cl)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@]2(CCOC2)C1 1539803823 NZGILZFPCGPXPO-IIBYNOLFSA-N 469.970 2.335 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCN(Cc2nc(O)c3ccccc3n2)CC1 1540862701 HHZAYDXLHBAKKT-KRWDZBQOSA-N 464.574 2.065 30 10 JEEE C=CCOc1ccccc1Cn1c(C2CCC2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1540881004 WQUXFCIWCBWWAR-UHFFFAOYSA-N 466.586 2.332 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Br)cc2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1540899187 GOFNFXGHVLCADO-QGZVFWFLSA-N 494.415 2.119 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@@H](CCOC)C1 1540900451 WASGKFAZVHVXAO-KRWDZBQOSA-N 462.572 2.180 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1540903001 VYLWACNOWKUDTD-KURKYZTESA-N 483.635 2.122 30 10 JEEE CC(C)(C)OC(=O)N1CCC(c2nnc(N3CCO[C@@H](C#N)C3)n2CCN2CCCC2)CC1 1541200295 BFBAGGLNNCJJNV-IBGZPJMESA-N 459.595 2.217 30 10 JEEE C[C@@H]1CCCCN1CCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1 1544022777 AACDJAQKHJYTNG-CTNGQTDRSA-N 493.678 2.006 30 10 JEEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)C2CC2)CCN1CC(F)(F)F 1544721921 DHAXFGASDNNCQA-OAHLLOKOSA-N 461.492 2.416 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCOc1ncccc1F 1587579347 FLDUZJPMDATFOE-INIZCTEOSA-N 472.546 2.266 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@H](C)COC)CC1 1588812200 QOSCDHFYEJZZSZ-UXHICEINSA-N 460.623 2.430 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3noc4c3COCC4)n2CCCC(F)(F)F)CC1 1588923713 KAUJNJQELJIWPR-UHFFFAOYSA-N 466.464 2.314 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CSc3ccc(C)cc3)n2CCCS(C)(=O)=O)CC1 1588967768 AWDHKNSKAUPDHC-UHFFFAOYSA-N 489.667 2.279 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccccc2OC)n1C[C@@]1(O)CCS(=O)(=O)C1 1589251453 ODQFUXNRWXAKNJ-YADHBBJMSA-N 476.624 2.121 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCO[C@@H]1C(C)C 1589664302 XPAFEFSGTNHZES-SLFFLAALSA-N 469.652 2.465 30 10 JEEE C=C(Cl)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(CCOC)[C@@H](CC)C1 1593833690 AYLRFRNTVJJXEL-IBGZPJMESA-N 497.065 2.495 30 10 JEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(F)c(F)c1)C1CC1 1595058875 WJYVBPKZKCVIDW-LJQANCHMSA-N 467.542 2.287 30 10 JEEE CCN1CCN([C@@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(C(=O)OC)CC2)CC1 1615836995 BKSYMLPKYOYXDR-IBGZPJMESA-N 465.602 2.232 30 10 JEEE CCOC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1616039684 CIERFMSRZGROAN-UHFFFAOYSA-N 451.575 2.032 30 10 JEEE CN(CC1CCCC1)c1nnc(COc2ccc(C#N)cc2)n1CCN1CCCS1(=O)=O 1618082618 GSZXFOUSIRARJG-UHFFFAOYSA-N 458.588 2.391 30 10 JEEE C=CC[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c1)C(=O)OCC 1632656597 VEIVNZUBDKTIKT-JKIFEVAISA-N 458.964 2.376 30 10 JEEE C[C@H](CC(=O)N1CC[C@](CO)(Cc2ccc(F)cc2)C1)/N=C1/NS(=O)(=O)c2ccccc21 1636925226 BSSPUNXFBCPHKY-MWTRTKDXSA-N 459.543 2.097 30 10 JEEE C=CCn1c(SCC(=O)NC2(C(=O)OC)CC(CO)C2)nnc1-c1ccc(Cl)cc1 1637456842 CNODMOBJRHBHDC-UHFFFAOYSA-N 450.948 2.307 30 10 JEEE C#CCN1CCC(NC(=O)[C@@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc(F)cc2)CC1 1645781989 VYGNJRKAHFLGLI-QHCPKHFHSA-N 455.555 2.155 30 10 JEEE C=CCN(CCC#N)CC(=O)NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 1645844954 OWBMUCJRWKNSBK-PDGQHHTCSA-N 458.565 2.134 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1CCN(CCN(C)C)CC1 1689848092 OLRJLOOTMTWZLM-FQEVSTJZSA-N 490.656 2.406 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1C[C@H](c1ccc(C)cc1)N1CCOCC1 1689860762 HCTFJUWTAKIBJE-IFMALSPDSA-N 450.587 2.240 30 10 JEEE C#CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1689921037 RMKDYZSAEDSEJH-LJQANCHMSA-N 473.599 2.380 30 10 JEEE C#CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1CCOCCS(C)(=O)=O 1689952462 GJEMGQLRYIVJPX-UHFFFAOYSA-N 475.796 2.492 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H](C)Oc1ccccc1OC)[C@@H]1CCS(=O)(=O)C1 1689986100 IRQCSRIHZJOKNW-AZUAARDMSA-N 481.578 2.443 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1cccnc1OCCC)[C@H]1CCS(=O)(=O)C1 1689989504 GEVGECUGLUKXQZ-PMACEKPBSA-N 473.599 2.031 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1689996880 QDTPVFHPZFHGKD-FPOVZHCZSA-N 458.584 2.361 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1([S@@](C)=O)CC1 1690102045 AUWLLEPKLHIEDL-PIJWYQRNSA-N 479.647 2.390 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1([S@@](C)=O)CC1 1690102046 AUWLLEPKLHIEDL-RTHCMUBDSA-N 479.647 2.390 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H]2CCC=CO2)CC1 1690124083 FANXFSDVZCPEJF-UXHICEINSA-N 472.590 2.034 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC[C@H]2CCCCO2)CC1 1690124347 JORRXJOXQFKCJN-NHCUHLMSSA-N 488.633 2.301 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2Cc2cccc(C(=O)NC)c2)CC1 1690146054 DQZPTDZRUFDDTL-UHFFFAOYSA-N 450.587 2.240 30 10 JEEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN(CC(=O)Nc2ccccc2CC)CC1 1690169733 MMRFLIDEIMDGOS-UHFFFAOYSA-N 490.637 2.425 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1c(F)cccc1F 1690206068 GOVBFRNGTHJRDE-SIKLNZKXSA-N 479.553 2.124 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2cccc(O)c2)CC1 1690237030 UTOSTFBXVSSRIT-NQIIRXRSSA-N 454.575 2.430 30 10 JEEE C=CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H](C)CN1CCOCC1 1690523609 HNDPTZZMSRMCGR-SFHVURJKSA-N 451.575 2.265 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(C(=O)c2c(F)cccc2Cl)CC1 1690667981 OOMSMSCKSJMJOU-UHFFFAOYSA-N 483.935 2.397 30 10 JEEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1690742325 MRAPBCXNCLIGDR-ZDUSSCGKSA-N 450.506 2.171 30 10 JEEE C[C@H](C#N)CN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1(C(=O)N(C)C)CCCC1 1691001095 CGWGMLCSCWFZQA-QGZVFWFLSA-N 486.646 2.483 30 10 JEEE CN(C)CC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2ccccc2C#N)CC1 1696614108 FWYQAPCZERSZSV-UHFFFAOYSA-N 464.618 2.187 30 10 JEEE Cn1cnnc1Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@](F)(C#N)C1 1696873392 FPFWIAANRKKUSL-QVKFZJNVSA-N 459.530 2.011 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccnc1OCC(F)(F)F 1705495304 OCMXUJDGYVVDIT-DZGCQCFKSA-N 457.478 2.023 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(N2CCN(CC)CC2)nc1 1705503782 DTTSVGMRLLAMJJ-NWSQWKLXSA-N 467.618 2.045 30 10 JEEE C#CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(C(C)=O)C[C@H]1C 1705514791 JAURNNOAGYTSBQ-QGZVFWFLSA-N 457.604 2.099 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1cccc(OCC(C)C)c1)[C@H]1CCS(=O)(=O)C1 1705567028 SMAAVTVJLHEUTF-SFTDATJTSA-N 472.611 2.492 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2cccs2)CC1 1705640041 BZPQWJCERDDRHG-LJQANCHMSA-N 472.615 2.452 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2(SC)CCC2)CC1 1705644533 UDXXGVHVRLIPAQ-UHFFFAOYSA-N 467.599 2.177 30 10 JEEE C=C(Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1)c1ccccc1 1705741092 FYFCUCLJFYECSA-OAQYLSRUSA-N 479.629 2.264 30 10 JEEE C=CC[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H]1CCOC1)c1ccccc1 1705796966 NUOAFMHWBSXCEC-NNWRFLSQSA-N 489.642 2.444 30 10 JEEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2csc(C)n2)CC1 1705825199 MORJMOXVQFDFCU-UHFFFAOYSA-N 459.620 2.194 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2COc3ccccc3O2)n1CCN/C(O)=C1/N=CC=CC1=O 1705875810 GUNJMLXHVWEWHU-ZQKSFYQXSA-N 462.510 2.495 30 10 JEEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@]1(O)CCC[C@@H]1C 1705883459 JADGWCDQOFSQOZ-BXKMTCNYSA-N 452.559 2.382 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(c2ncc(F)cn2)CC1 1705895868 VQZRHFNAPBGDGS-UHFFFAOYSA-N 456.913 2.156 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCC[C@@H](NC(C)=O)C1 1705898510 OEXXLGKIFQAAMA-OAHLLOKOSA-N 479.354 2.254 30 10 JEEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(C2CCC(C)CC2)CC1 1705907837 ZIIUYKUXGLTATQ-UHFFFAOYSA-N 485.658 2.273 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](COC(C)C)C1 1705912305 GBVNCHKVTGPDHS-PMACEKPBSA-N 455.559 2.473 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCc2cccc(Br)c2C1 1705928197 NNXCGLGLKHYXNA-UHFFFAOYSA-N 496.431 2.342 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCn1cc(Cl)cn1 1706748327 HSTAILMOZFMSSP-AWEZNQCLSA-N 451.922 2.480 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CCc1c(F)cccc1F)[C@H]1CCS(=O)(=O)C1 1722358562 IZRZUXWCGBBLFC-KRWDZBQOSA-N 493.580 2.344 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@](C)(O)[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1722364199 XWVOIUMNQYLXLH-PDOGEWKWSA-N 488.610 2.140 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@](C)(O)[C@@H](C)CC 1722394560 WTNVCUFWDOCASV-MBSDFSHPSA-N 456.616 2.498 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1C[C@@H]1C[C@H](F)CN1Cc1cccs1 1722424792 AGTPQJKVOXGGRL-ROUUACIJSA-N 455.563 2.495 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)c1nc(-c2ccccc2)no1 1722429856 WYSDEOJPTUOIJQ-IEBWSBKVSA-N 484.582 2.120 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1Cc1ccn(C)n1 1722448139 NLSKSDLEYGNNKK-UHFFFAOYSA-N 460.542 2.104 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](OC)c2ccccc2)CC1 1722449066 FPFMKLJUUXUCTC-HSZRJFAPSA-N 475.597 2.493 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1 1722460798 ZGGLGUZMKYJRPY-IRXDYDNUSA-N 478.644 2.437 30 10 JEEE C=C(Br)Cn1c(-c2ccc[nH]2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1722482499 VYXJEPNPNFMWBO-KBXCAEBGSA-N 462.396 2.171 30 10 JEEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C2CCOCC2)CC1 1722523943 BYBSDZDDMCDCDI-HXUWFJFHSA-N 476.622 2.464 30 10 JEEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](C(=O)N(C)c2ccccc2)C1 1722527561 NUBWHGJZYAUBJQ-LJQANCHMSA-N 454.575 2.498 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCS(=O)(=O)C1 1722659846 DZXVNMUAHDWVKU-IEBWSBKVSA-N 496.630 2.337 30 10 JEEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@@H](C)S[C@H](C)C1 1722698560 HXJMROAKNGGQPA-IAGOWNOFSA-N 456.620 2.085 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H]3CCOC3)nnc2N2CCN(CC(=O)NC(C)C)CC2)cc1 1722704502 IXRBYBQJHFZIQY-OAQYLSRUSA-N 468.602 2.042 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2nnc(C(C)(C)C)s2)C1 1722719666 YLOPWGSUZVEKDK-GJZGRUSLSA-N 466.633 2.159 30 10 JEEE C=CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1722734663 GEAQKPNICVYWNH-UHFFFAOYSA-N 486.598 2.402 30 10 JEEE C[C@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1CN1CCC[C@H]1CO 1722861039 AJLDUUULGHDCDF-KNQAVFIVSA-N 465.602 2.115 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(N2CCC(OC)CC2)CCCC1 1740551810 MBQLARSRPSYNDC-RBUKOAKNSA-N 463.648 2.062 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1C[C@H](OC)C(C)C)[C@H]1CCS(=O)(=O)C1 1740619708 QVMJUVRTHKFPAS-WMZOPIPTSA-N 498.447 2.344 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@H]1CCOC[C@@H]1OC 1740639106 QWMREMJQMWIZBV-KNQAVFIVSA-N 474.565 2.189 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc[nH]3)n2CC2CCN(C(=O)OC)CC2)n1 1740688633 HMDOAVBEXDGBSN-UHFFFAOYSA-N 480.573 2.234 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H](C)CN2CCCC2)CC1 1740706803 DLOLXWFTAXPSKM-SFHVURJKSA-N 469.659 2.332 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OCC)c(OC)c2)n1CCN1CCCS1(=O)=O 1740730248 VWVUVPSZDCCBDX-HSZRJFAPSA-N 473.599 2.380 30 10 JEEE C=CCOc1ccc(Cn2c([C@H]3CCCOC3)nnc2N2CCN(CCOC)C(=O)C2)cc1 1740967684 NNTKLYVCCJUOTL-FQEVSTJZSA-N 455.559 2.080 30 10 JEEE CC[C@H](C)[C@](C)(O)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2ccccc2C#N)CC1 1743504279 CZLGGKCWMYJGQL-UQBPGWFLSA-N 465.602 2.396 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1Cc1ccc(N(C)C)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1748812214 SLMKTOUOYQAKAX-GOSISDBHSA-N 470.574 2.164 30 10 JEEE C#CCN(c1nnc(C2CCCC2)n1CC(=O)Nc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1748814849 KBLGBVPCNVDWNV-IBGZPJMESA-N 459.547 2.340 30 10 JEEE C#CCN(c1nnc(CCOc2ccccc2)n1C[C@@H]1CCOC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1748820553 DQZGTTBLVFXTEA-HKBOAZHASA-N 472.611 2.199 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc[nH]2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1748944432 WQCRLHARSYQISK-SFHVURJKSA-N 456.547 2.334 30 10 JEEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(c2cnccn2)CC1 1749086736 NKAVCVIRSNJGEV-OAHLLOKOSA-N 452.357 2.027 30 10 JEEE C=C(Br)Cn1c(N2CCN(C(=O)NC)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1749112247 GAOQDSOPRRPAQM-GASCZTMLSA-N 498.426 2.419 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)CC)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1749118692 IOCZEYAYGMGJJB-ZCNNSNEGSA-N 458.607 2.044 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H](C)N1CCOCC1 1749154391 RKCPIDOBGLFHPH-GOSISDBHSA-N 451.575 2.315 30 10 JEEE C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1749250108 YOXKRPPKOLBTPK-HZPDHXFCSA-N 461.954 2.045 30 10 JEEE COCC(C)(C)CCCn1c(CN2CCCC2=O)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1749271668 CXDLVGUXDBYUKM-UHFFFAOYSA-N 497.648 2.094 30 10 JEEE C=CCNC(=O)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1749677121 OAHVKIIKZOCTDE-LJQANCHMSA-N 463.586 2.393 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 1749731370 CEYJUHOTVLFNTA-JKSUJKDBSA-N 466.526 2.321 30 10 JEEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1749740526 GCZYAMLNDQCAIX-UHFFFAOYSA-N 451.666 2.339 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(OC)cc2)nnc1N1CCCO[C@@H](C)C1 1749740878 ZUCDSQIGBWJFLC-KRWDZBQOSA-N 450.561 2.082 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1csc2ccccc12 1760115904 CUKBCQKPJAJUKC-QAPCUYQASA-N 459.597 2.332 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1760181502 WGHIGTNYNLIECW-MOPGFXCFSA-N 460.600 2.433 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CC(F)(F)CO1 1760240652 XZKIXZAGWFBBOZ-RHSMWYFYSA-N 471.505 2.091 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2CCn2ccnc2C)CC1 1760269883 FRUPUYXCAOXJNW-UHFFFAOYSA-N 467.524 2.318 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(=C)c2ccccc2)C1 1760544085 VNHARCPTJRYKNM-RTWAWAEBSA-N 473.599 2.106 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CCN(C(C)C)CC1 1760558237 JXXUAZFOGBLTRJ-UHFFFAOYSA-N 451.568 2.127 30 10 JEEE C[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1)N(C)C(=O)OC(C)(C)C 1761396021 HSMPDKXBILVJJI-QFBILLFUSA-N 480.573 2.286 30 10 JEEE C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(=O)(=O)Cc2ccon2)C[C@@H]1C 1762965856 CNIJIKIYZAPXHW-SJORKVTESA-N 469.571 2.407 30 10 JEEE COc1cccc(Cl)c1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1 1768840433 HDPOHDJWTRPEQD-KZULUSFZSA-N 456.931 2.041 30 10 JEEE C=C(C)Cn1c(COc2ccccc2OC)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1772543483 MQYJONJGBYKAJJ-FPOVZHCZSA-N 468.602 2.431 30 10 JEEE C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@](O)(COP(=O)(O)O)C1=O 1848440191 FBLFYLWWJUILAQ-DVTGEIKXSA-N 472.446 2.013 30 10 JEEE in-vitro C=CCOc1ccccc1OCC(=O)NCc1ccc(S(=O)(=O)N2CCN(CC)CC2)cc1 1859557696 AVYOXEKDTMPIBA-UHFFFAOYSA-N 473.595 2.273 30 10 JEEE COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCO)cc(OC)c1O 1862612177 COLIJJRBYZIMSR-HXUWFJFHSA-N 471.462 2.141 30 10 JEEE C=CCN(CC=C)c1nc(=NC(=O)c2ccc(N3C[C@H](C(=O)O)CC3=O)cc2)n(C(C)(C)C)[nH]1 1870000328 MLZZNYHQGVTZMJ-QGZVFWFLSA-N 466.542 2.323 30 10 JEEE CC(C)N1C(=O)CS[C@H](C(=O)N2CCN(c3cc(N(C)C)cnn3)CC2)[C@@H]1c1ccc(C#N)cc1 1889627038 IHYHICRIQBBBOP-ZEQRLZLVSA-N 493.637 2.157 30 10 JEEE Cc1c(CC(=O)N2CCC(OCC#CCN3CCN(C(C)C)CC3)CC2)cccc1[N+](=O)[O-] 1891049625 SIDGWJDZJWCTFN-UHFFFAOYSA-N 456.587 2.483 30 10 JEEE C=CCC[C@@H](N)C(=O)Nc1c(I)nc(C)nc1I 2058123675 XRYPCKLHFXQIBY-SSDOTTSWSA-N 472.068 2.226 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1O 2063352482 DIJOBNPFUFQMGN-IXDOHACOSA-N 454.568 2.450 30 10 JEEE C=C(CS(=O)(=O)N1C[C@H](C)CC[C@@H]1CNC(=O)C(F)(F)F)B1OC(C)(C)C(C)(C)O1 2255794396 LCYPFNJMARYYNO-TZMCWYRMSA-N 454.320 2.283 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@]2(NS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2255943447 STHOLYYHLCEJAJ-RNODOKPDSA-N 470.422 2.335 30 10 JEEE CN(C(=O)c1nscc1B1OC(C)(C)C(C)(C)O1)[C@@]1(CNC(=O)OC(C)(C)C)CCOC1 2266997919 DXDIBMFFTDORRS-OAQYLSRUSA-N 467.397 2.198 30 10 JEEE Cc1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2CO)c(B2OC(C)(C)C(C)(C)O2)s1 2267537962 KQSMOIGZOYDJRV-HNNXBMFYSA-N 466.409 2.410 30 10 JEEE COc1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC(NC(=O)OC(C)(C)C)C2)cc1OC 2281995685 GIGGXIXVXAJZRO-UHFFFAOYSA-N 462.352 2.352 30 10 JEEE CC(C)(C)OC(=O)N1CC2(CC=CCN2C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2282015385 XJHVKKDQOHMMTB-UHFFFAOYSA-N 456.352 2.167 30 10 JEEE C[C@@H](CNC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 2282029192 PAEFMLXXDPYXHL-RCDICMHDSA-N 481.424 2.180 30 10 JEEE C[C@@H]1CN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)CC[C@@H]1NC(=O)C(F)(F)F 2282052073 YHBMQWYECNEMBK-RISCZKNCSA-N 459.249 2.049 30 10 JEEE CO[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn1C 2282190502 HRQLFARYLWPNDV-WMZOPIPTSA-N 463.384 2.079 30 10 JEEE C[C@H]1OC2(CNC(=O)OC(C)(C)C)CC1(NC(=O)c1cc(B3OC(C)(C)C(C)(C)O3)c[nH]1)C2 2282194932 GPXWTFVHJAOVNU-YCJKGERQSA-N 461.368 2.259 30 10 JEEE CC(C)(C)OC(=O)N1CCC(CO)(CNC(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)CC1 2282202344 BSRREAMMVOHDTG-UHFFFAOYSA-N 464.368 2.318 30 10 JEEE C[C@@H]1CCN(S(=O)(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)C[C@H]1NC(=O)C(F)(F)F 2282348914 RAIPIUNXSMFLRS-UKRRQHHQSA-N 476.326 2.063 30 10 JEEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)[C@H](C#N)C1 2282351251 YGHDNLHGZALDEP-QGZVFWFLSA-N 477.392 2.119 30 10 JEEE CO[C@H]1CN(C(=O)c2cccc(F)c2B2OC(C)(C)C(C)(C)O2)C[C@H]1NC(=O)OC(C)(C)C 2282412297 NXYRVFXCTCTQAU-SJORKVTESA-N 464.343 2.489 30 10 JEEE C[C@H](CNC(=O)c1coc(B2OC(C)(C)C(C)(C)O2)c1)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 2282534847 ITYGNJRKBNSEFX-CMJOXMDJSA-N 464.368 2.317 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H]1COC[C@@H]1NC(=O)OC(C)(C)C 2282553198 WBYAXDATJJFBDS-SJORKVTESA-N 462.352 2.016 30 10 JEEE Cc1c(C(=O)N2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282559691 QSYFLDRLUYUFGM-PMACEKPBSA-N 450.392 2.374 30 10 JEEE Cn1cc(C(=O)NC[C@]23CC[C@@H]2CN(C(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)n1 2282585231 JIQDPALEFCXICX-CMJOXMDJSA-N 460.384 2.096 30 10 JEEE Cc1c(C(=O)N2CCC(CNC(=O)OC(C)(C)C)CC2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282593039 LKAFSWVBMAAMDC-UHFFFAOYSA-N 462.400 2.405 30 10 JEEE C[C@@H]1OC2(CNC(=O)OC(C)(C)C)CC1(NC(=O)c1cc(B3OC(C)(C)C(C)(C)O3)sn1)C2 2282600259 UOCHJZAYPZQFIM-MFBUALDNSA-N 479.408 2.387 30 10 JEEE CC(C)(C)OC(=O)NCCCN1CCN(C(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)CC1 2282609628 KYNGBAXZVQPWKP-UHFFFAOYSA-N 480.440 2.115 30 10 JEEE Cc1cccc(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)c1B1OC(C)(C)C(C)(C)O1 2282647552 CVLFIJKXXWEXKM-AEFFLSMTSA-N 460.380 2.252 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@](O)(CCNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2282676835 PSPCMSIDKRNTGP-DEOSSOPVSA-N 460.380 2.478 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1(C)C 2282697716 UQGSTXPRPRCRPL-HOCLYGCPSA-N 460.384 2.445 30 10 JEEE CS[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282832551 APDXFMXOAQOULL-DLBZAZTESA-N 499.464 2.010 30 10 JEEE CC(C)(C)OC(=O)N[C@]1(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2O)CCOC1 2282975819 PFOVNLALYIXPJX-QHCPKHFHSA-N 462.352 2.105 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)N1CCc2cc(B3OC(C)(C)C(C)(C)O3)ccc21 2283964572 PGTOTPFBSBBFNL-HKUYNNGSSA-N 458.364 2.245 30 10 JEEE CC(C)(C)OC(=O)NC1(C(=O)NCc2ccccc2B2OC(C)(C)C(C)(C)O2)CC(CO)C1 2284036572 BUYCJMULUYLJLW-UHFFFAOYSA-N 460.380 2.268 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H](C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1)[C@@H]1CCOC1 2284041826 QALXPFZDPZXNLS-HUUCEWRRSA-N 481.424 2.236 30 10 JEEE CO[C@@H](C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F)C1CN(C(=O)OC(C)(C)C)C1 2284067146 GSOWPLWFKJMCAM-MRXNPFEDSA-N 465.331 2.340 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@H](C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)CO1 2284069150 MSZGBQSLRBDUDG-GJZGRUSLSA-N 481.424 2.378 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@H](C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)CO1 2284069965 ZTGHSAGPRCSFQJ-GJZGRUSLSA-N 481.424 2.378 30 10 JEEE CC1(C)OB(c2cc(S(=O)(=O)N[C@@H](COCc3ccccc3)C(=O)O)ccc2F)OC1(C)C 2284395183 IOZYUCHWMBNNOQ-IBGZPJMESA-N 479.335 2.073 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)NC[C@@]1(NC(=O)OC(C)(C)C)CCOC1 2285209956 BXMNHQFXZWKANH-QHCPKHFHSA-N 461.368 2.103 30 10 JEEE CC(C)(C)OC(=O)N1Cc2nccn2C[C@@H](C(=O)NCCC#CB2OC(C)(C)C(C)(C)O2)C1 2287047197 SMGXCLXYHACTRT-QGZVFWFLSA-N 458.368 2.391 30 10 JEEE CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)o1)C(=O)O 2289799890 FFAHYYBXPYXEJM-AWEZNQCLSA-N 466.340 2.457 30 10 JEEE O=c1c(Cl)c(NN=Cc2cc(Br)ccc2O)cnn1[C@H]1CCS(=O)(=O)C1 2322614590 BCHATEMADSCINN-NSHDSACASA-N 461.725 2.170 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)CC12CC2 2362334111 XVAVVMFBRSNQRC-HNNXBMFYSA-N 460.384 2.239 30 10 JEEE C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)CCN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2362353018 IGQCKZJTUCZRKM-CVEARBPZSA-N 462.400 2.485 30 10 JEEE N#CCCN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 519452365 ARECMPRIOGAXSA-UHFFFAOYSA-N 477.564 2.351 30 10 JEEE C[C@H](C=O)N(C)C(=O)c1cc(I)cc(I)c1O 714570067 STLGUFAEOQBBOY-ZCFIWIBFSA-N 459.021 2.261 30 10 JEEE Cc1cccc(C)c1-n1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cnn3ccccc23)c1=O 729671561 LSIXAQQPHZVWIM-UHFFFAOYSA-N 469.570 2.289 30 10 JEEE C=CCn1c(CCN2CCCCC2)nn(CN2CCC(CC(=O)N3CCN(C)CC3)CC2)c1=S 731355671 HFBBYCVMCXBIPW-UHFFFAOYSA-N 489.734 2.462 30 10 JEEE Nn1c(NN=Cc2ccc(O)cc2O)nnc1SCC(=O)Nc1cccc(Br)c1 1084410949 RQBAQITVEXDNOG-UHFFFAOYSA-N 478.332 2.342 30 10 JEEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)Nc1cccc(C(=O)N2CCSCC2)c1 1199266898 CPFQBFCCJRBVEE-INIZCTEOSA-N 451.556 2.280 30 10 JEEE CNC(=O)c1cccc(NC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)c1Br 1217583969 BDAZMXGBMKCNHF-LBPRGKRZSA-N 458.320 2.213 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](c1cccc(OC)c1)N1CCCC1 1286272343 BFAUBHBLGBAKOZ-WFXMLNOXSA-N 474.631 2.192 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H](C)Oc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1286396939 XKTMEJLXMNCVMW-YQVWRLOYSA-N 462.547 2.015 30 10 JEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(N2CCOCC2)c(F)c1 1286416354 QLNTVQBNVTYYNO-UHFFFAOYSA-N 492.580 2.366 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@]1(O)CCO[C@@H]1C 1286460916 LMJQPKHFBKOUPO-OFYLTFBOSA-N 458.534 2.321 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1Cc1ccc(OC)nc1OC 1286463327 DLCSOPKORZJCAQ-UHFFFAOYSA-N 465.510 2.263 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2[C@H]2C[C@H](c3ccccc3Cl)C2)CC1 1286470840 DKFQUYMINZXUIR-KZNAEPCWSA-N 477.034 2.416 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2CCc2c(C)noc2C)CC1 1286484610 SSSRXYJDBWPVQZ-UHFFFAOYSA-N 450.543 2.468 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](C)Cc2cccs2)CC1 1286485763 XOJYYAGYWATGNX-KRWDZBQOSA-N 456.616 2.322 30 10 JEEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(=O)c2ccc(C)s2)CC1 1286585660 LMGBQXLSKDIXBN-HNNXBMFYSA-N 466.633 2.233 30 10 JEEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)c2ccc(F)cc2)CC1 1286629043 IEWNBDPRLRRAAI-INIZCTEOSA-N 481.981 2.471 30 10 JEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(Cl)c(OC)c1 1286727529 SMWGYWRPHIXEAW-GOSISDBHSA-N 469.995 2.138 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC(C(=O)NCCC)CC1 1286779952 ACNPWERFKNFGRY-UHFFFAOYSA-N 481.601 2.192 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCc1cccc(C(=O)N(C)C)c1 1288124051 AEVBJZXIAOUMBZ-XMMPIXPASA-N 451.575 2.491 30 10 JEEE C[C@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1CCCN(C)CC(F)(F)F 1291193461 CERHIICFELYYIG-INIZCTEOSA-N 479.507 2.280 30 10 JEEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1 1293533296 OKMHHBMTFMUSKN-UHFFFAOYSA-N 454.499 2.431 30 10 JEEE CCS(=O)(=O)CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)C[C@H](C)C#N 1297705651 FQOGFIYXHCRTGI-MRXNPFEDSA-N 468.624 2.423 30 10 JEEE CN(C)S(=O)(=O)c1ccccc1Cn1c(CC2CCCC2)nnc1N1CCO[C@H](C#N)C1 1298096531 DBNXAPVOGCARBJ-LJQANCHMSA-N 458.588 2.038 30 10 JEEE C#C[C@@H](CO)NC(=O)c1ccc(C)c(S(=O)(=O)Nc2cc(Cl)c(OC)cc2OC)c1 1298583806 FYTBFPVUFUWYIM-AWEZNQCLSA-N 452.916 2.190 30 10 JEEE COc1ccc(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)cc1OC(F)F 1300150362 HFEVBIOTZOUAGT-VFNWGFHPSA-N 499.515 2.475 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCOC[C@@H]2C)c1 1300330522 BWGVUFQIEWWTSJ-HKUYNNGSSA-N 452.559 2.145 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)(C)C)n2CCS(=O)(=O)NC(C)C)c1 1300334416 LRLLZLRBBZPTCS-UHFFFAOYSA-N 474.631 2.251 30 10 JEEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@@H](OCCOC)C1 1300411144 QZSLSKMBEXAUMI-OAQYLSRUSA-N 453.591 2.497 30 10 JEEE C#CCN(c1nnc([C@H](C)OCCOC)n1Cc1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 1300484222 PDSFDCQYJNWZSQ-FUHWJXTLSA-N 466.991 2.331 30 10 JEEE C#CCN(CC#CC)c1nnc(Cc2c(F)cccc2F)n1CCN/C(O)=C1\N=CC=CC1=O 1300583643 JCQHLZHNJZWQRR-GHVJWSGMSA-N 464.476 2.136 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(N(C)C)c(F)c2)CC1 1300727189 VBNYOLPOHOGHHP-IBGZPJMESA-N 454.550 2.001 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2cccc(C)c2C)CC1 1300951934 AYMJBACLWQOISA-OAQYLSRUSA-N 474.631 2.131 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H](CCOC)C1 1301483193 KBJJYJOOMOORMD-AWEZNQCLSA-N 451.369 2.211 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@H]2CCC(=O)N2)C1 1301558237 UKLOSDYSBNJOJP-MOPGFXCFSA-N 474.606 2.453 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@H]1C 1301569221 TTYRFQAELBCVGM-OAHLLOKOSA-N 466.633 2.136 30 10 JEEE CCC(CC)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](C(=O)NC)C1)N(C)C 1305702547 BYADISAAPDTIER-RTWAWAEBSA-N 453.591 2.134 30 10 JEEE CCCNC(=O)c1cccc(Cn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@H](C#N)C2)c1 1313455578 FXILCINFYUBXHS-LJQANCHMSA-N 493.593 2.186 30 10 JEEE CCN1CCN(C[C@@H](C)Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCO[C@H](C#N)C2)CC1 1313951003 CFDFXMOUQSMYDT-GXRSIYKFSA-N 473.666 2.199 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3csc(C)n3)n2CC(=O)NCCC)c1 1358903289 QXKFOVLNEFDOHB-UHFFFAOYSA-N 465.583 2.216 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)CC1 1359036798 JNGILZCBXDHJRE-LJQANCHMSA-N 453.591 2.275 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1359305203 WBVWWRXEVOYYPS-HXUWFJFHSA-N 481.601 2.050 30 10 JEEE C[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1)Oc1ccc(F)cc1 1360534408 FSDQTIHEEDAMBW-HUUCEWRRSA-N 450.540 2.235 30 10 JEEE C#CCN(CC(=O)N1CCN(CC(=O)Nc2ccc(OCC)cc2)CC1)C(=O)OC(C)(C)C 1445593874 LVXFESQQDDBRHG-UHFFFAOYSA-N 458.559 2.038 30 10 JEEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)CCNC(=O)OC(C)(C)C 1450982243 CKGQYWFSGHVKME-MRXNPFEDSA-N 452.577 2.267 30 10 JEEE CNC(=O)CC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)c2ccco2)CC1 1503785434 BGVQIMCSVSOVLN-UHFFFAOYSA-N 461.526 2.192 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)Nc3ccccn3)n2C[C@H](CC)OC)c1 1507545913 CQKLYROULDSLQE-IBGZPJMESA-N 461.526 2.407 30 10 JEEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1Cc1nc(C(C)C)cs1)[C@@H]1CCS(=O)(=O)C1 1507624784 DDRVXDRKSOUCKC-VGOFRKELSA-N 493.655 2.185 30 10 JEEE C#CCN(c1nnc([C@H](C)OCCOC)n1Cc1ccc(C)cc1F)[C@H]1CCS(=O)(=O)C1 1507626314 NLYJNANLJYMVSB-HKUYNNGSSA-N 464.563 2.125 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H](C)Oc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1507630602 CYBZLAJSGXSWPV-ROUUACIJSA-N 469.567 2.376 30 10 JEEE C#CCN(c1nnc(COCC)n1Cc1ccc(N2CCSCC2)cc1)[C@@H]1CCS(=O)(=O)C1 1507637215 IRJHXTZVOFZWHX-OAQYLSRUSA-N 489.667 2.043 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(OC)ccc2Br)n1CCS(=O)(=O)CC=C 1507644180 BNKLIJSTZWEWJD-UHFFFAOYSA-N 477.384 2.390 30 10 JEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(c2ccccc2CO)CC1 1507745303 AQHGVHHUGNZOMB-KRWDZBQOSA-N 477.656 2.131 30 10 JEEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1507910265 LLKXFQFNPHXARP-RTBURBONSA-N 460.623 2.484 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1508090085 HHPXBQPLRSWDQR-MAUKXSAKSA-N 480.491 2.166 30 10 JEEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCOC[C@@H]2CCOC2)[C@@H](C)C1 1508235392 DZRPUMXWXXJEGO-RXVVDRJESA-N 452.559 2.317 30 10 JEEE C[C@@]1(C#N)CCCN(c2nnc(-c3cnccn3)n2CCOc2ccc(S(C)(=O)=O)cc2)C1 1510283741 DCFDVMPFRPDXRD-QFIPXVFZSA-N 467.555 2.348 30 10 JEEE CCOCc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CC1([S@@](C)=O)CC1 1516566059 GEHZKDFUPZUAFF-JGCGQSQUSA-N 456.616 2.310 30 10 JEEE COC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCOC(C)(C)C2)C1 1517635821 BXPBVRRBTJWEDY-FQEVSTJZSA-N 452.559 2.317 30 10 JEEE C#CCOc1ccccc1CNC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1 1538241058 HXFSXAHDQBJQQB-UHFFFAOYSA-N 451.342 2.398 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCCO3)n2CCN2CCOC[C@@H]2C)c1 1539043370 PMBAEPHXXSJEEP-UGKGYDQZSA-N 466.586 2.297 30 10 JEEE C#CCCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CC[C@](C)(C(N)=O)C1 1539078885 HMMYTQDCNPCRTG-SANMLTNESA-N 463.630 2.148 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2ccsc2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1539285191 FRNHKHZYJOWFOT-WOJBJXKFSA-N 457.625 2.207 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@](O)(c1ccccc1)C(F)(F)F 1539323607 HTBPQUCTBHPYRR-LAUBAEHRSA-N 480.512 2.093 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3OCC)n2CC2(O)CCN(C(C)C)CC2)CC1 1539461286 CXIJWBZNMLFBQG-UHFFFAOYSA-N 496.656 2.246 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(OC(C)C)nc2)CC1 1539480589 CNKOXZRHXOQGHU-OAQYLSRUSA-N 466.586 2.368 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 1539488864 DGHKWOLJECNZME-VQTJNVASSA-N 486.617 2.495 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1539629627 BCUMQKAOLCTXJM-ONTIZHBOSA-N 481.663 2.089 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1539915521 BRQZSYXHQXWYBC-RBUKOAKNSA-N 451.637 2.084 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC(N3CCCCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1540876120 IJLVYHRPYDBDHQ-XMMPIXPASA-N 460.623 2.076 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3Br)n2CCNS(=O)(=O)CC)C1 1540887994 HXGNVLQYNPFFHS-HNNXBMFYSA-N 484.420 2.428 30 10 JEEE C[C@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(OCC(F)(F)F)nc1 1541118865 IETNNBATFRKVOL-CQSZACIVSA-N 451.453 2.381 30 10 JEEE CCCCN1CCCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CC#N 1547041516 AYEZLMYVOLRSFK-VAMGGRTRSA-N 481.667 2.004 30 10 JEEE CCOC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2(S(C)(=O)=O)CCC2)C1 1547810311 GDQPMYIZZRLSHY-LJQANCHMSA-N 486.598 2.499 30 10 JEEE CNC(=O)[C@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CC12CCN(C(=O)Cn1cccn1)CC2 1548378124 VEXQJCQIJMOXJJ-LJQANCHMSA-N 474.487 2.265 30 10 JEEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N2C[C@@H](CO)[C@@H](O)C2)c1 1570213269 AJFDOKLTUWTKOF-JXFKEZNVSA-N 450.944 2.147 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(F)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 1588075065 WRCKFGKQCRKIEB-QKLQHJQFSA-N 496.992 2.470 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CCCN2CCOC2=O)CC1 1588780739 WBVCXMZPCSWDNP-UHFFFAOYSA-N 482.585 2.338 30 10 JEEE C#CCN1CCN(c2nnc(-c3cnccn3)n2C[C@@H]2[C@@H](C)CCN2C(=O)OC(C)(C)C)CC1 1588806213 JTUMTWVXWDIZJV-AZUAARDMSA-N 466.590 2.136 30 10 JEEE C#CCN1CCN(c2nnc(C3CCCC3)n2Cc2cccc(OCC(=O)N(C)C)c2)CC1 1588811433 IZIIOGZXNDYVFT-UHFFFAOYSA-N 450.587 2.206 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1csc([C@@H](C)OC)n1 1589149831 AHWWBPIVUPCDKN-PJIJBLCYSA-N 452.606 2.093 30 10 JEEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1589460438 PCSLPOFFVJJWNC-KFKAGJAMSA-N 481.439 2.417 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](CNC(C)=O)C1 1589570777 WHXNTNFALIRFFX-FUDKSRODSA-N 455.607 2.473 30 10 JEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C(CC)CC)N2CCOCC2)CC1 1594014209 QGTXUURZHMUYHQ-AZUAARDMSA-N 468.668 2.182 30 10 JEEE C=CCCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(C(=O)COC)CC1 1594608709 VMJBQQHKRZTHFC-UHFFFAOYSA-N 451.531 2.245 30 10 JEEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1594759990 BUVLQISAXJFKFT-UHFFFAOYSA-N 480.598 2.056 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(N(CC)CC)cc1 1594962402 KQFFYWLBPVVJHS-FQEVSTJZSA-N 462.620 2.128 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cccc(NC(=O)OC)c2)C1 1595722928 OZWWHHZSTYNQGV-MJGOQNOKSA-N 475.571 2.188 30 10 JEEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@@H](C)CCNS(=O)(=O)c1ccccc1 1617811291 CNVPETDUNCHODY-HNNXBMFYSA-N 454.556 2.024 30 10 JEEE Cn1cccc1-c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CC(=O)NCC(F)(F)F 1618449179 CGIWYRUHAPBNIM-GOSISDBHSA-N 473.459 2.412 30 10 JEEE COc1cccc(O[C@H](C)Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@@H](C#N)C2)c1 1619374281 FSOIKTBRQUUDGK-APWZRJJASA-N 463.498 2.130 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)[C@H]1CN(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CCO1 1668264670 CXKNNJLAWFPYFO-QFBILLFUSA-N 458.563 2.246 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC1CCN(C(C)=O)CC1 1689861348 UAHXMDRGPBISAL-JOCHJYFZSA-N 477.657 2.359 30 10 JEEE C#CCN(c1nnc(COc2ccccc2OC)n1C[C@@H]1CCC[C@@H](O)C1)[C@@H]1CCS(=O)(=O)C1 1689996744 NLJHAQFJVIUFLA-VAMGGRTRSA-N 488.610 2.044 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H]2CCCN(C(C)C)C2)CC1 1690137656 GDOUKLOJSWPRIP-LVXARBLLSA-N 486.661 2.016 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CN(C)C(C)C)CC1 1690174604 FMVASMNGCGIWLP-IBGZPJMESA-N 453.678 2.103 30 10 JEEE C#CCSCCn1c(CCc2ccccc2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1690180694 JTQWTHSSUMKXIT-UHFFFAOYSA-N 475.622 2.250 30 10 JEEE C=C(Cl)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(N2CCNC2=O)CC1 1690345880 GASWUGKGVHLMSN-QGZVFWFLSA-N 496.012 2.333 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@@H](c3cnn(C)c3)C2)cc1 1690678957 GNOLPYSCURVUJX-IEBWSBKVSA-N 485.614 2.229 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(CC(C)(C)C)n2CCS(=O)(=O)N2CCSCC2)C1 1690707412 VTKRUEWPOVLHFV-KRWDZBQOSA-N 457.666 2.027 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCC(=O)N2CCOCC2)C1 1690714472 NAQUXPPMWZZDKF-SFHLNBCPSA-N 461.607 2.227 30 10 JEEE CC(C)C(=O)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCN2CCCO)CC1 1691408007 HRDSKNJHYXGADY-QHCPKHFHSA-N 479.629 2.358 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCN(C)c2ccccc2)CC1 1705652983 VHJCCIUYSMGSLV-GMAHTHKFSA-N 480.613 2.104 30 10 JEEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1705661080 QUZAYLPHRVDZOU-UHFFFAOYSA-N 488.608 2.258 30 10 JEEE C#CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1705661836 JWAGGPNCXHPEES-VQIMIIECSA-N 462.597 2.170 30 10 JEEE C#CCSCCn1c(Cn2ccc3ccccc32)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1705663556 LRUHEGJVZAONBV-LJQANCHMSA-N 486.667 2.413 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCN(C(=O)C(C)C)CC2)nnc1[C@@]1(OCC)CCOC1 1705707531 MVUGLOPXTOGICL-MZLICYQSSA-N 461.607 2.216 30 10 JEEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)CC(=O)Nc1cccc(Cl)c1 1705747143 GSGGNCRSYYLLMF-LBPRGKRZSA-N 461.375 2.369 30 10 JEEE C=CC1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccccc2S(=O)(=O)N(C)C)CC1 1705784047 FXXHGBDPTOOKRL-UHFFFAOYSA-N 472.615 2.102 30 10 JEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2ccc(F)cc2)C1 1705820062 ZZCSOGUJUMDWLR-UXHICEINSA-N 479.578 2.294 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 1705903244 OPVITPMOCSCMOR-UHFFFAOYSA-N 450.547 2.389 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1cc(C2CC2)ccc1F 1706870356 ALXSCYYBWGMDJN-XCLFUZPHSA-N 450.515 2.395 30 10 JEEE CCN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1Cc1nnc2n1CCCCC2 1710166202 BZVFQVLVXCRDEI-UHFFFAOYSA-N 468.587 2.054 30 10 JEEE COCC[C@](C)(O)Cn1c(-c2cccc(Br)c2)nnc1N1CCO[C@@H](C#N)C1 1712317205 DTPGVSWCFFTWFX-LPHOPBHVSA-N 450.337 2.224 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1722279400 HFDFTUNPJFDMSZ-IPMKNSEASA-N 459.616 2.306 30 10 JEEE C#CCCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1722325746 CJQLBKHWVLAEBG-UHFFFAOYSA-N 468.602 2.365 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1C[C@@]1(O)CCSC1)[C@H]1CCS(=O)(=O)C1 1722359402 MEMWKNYXTVSHLI-UGKGYDQZSA-N 460.625 2.002 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)OC(C)(C)O2 1722395902 DACXSDOUUWIOPT-SFHVURJKSA-N 454.552 2.199 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H](C)Oc2ccc(OC)cc2)CC1 1722433222 PUTOPCAKINBNSN-NBGIEHNGSA-N 469.586 2.162 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nc(C)c(C)s2)CC1 1722537095 KPSPDEJSAWSCSH-GOSISDBHSA-N 480.660 2.173 30 10 JEEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1722542677 FXYAXFOXDSJWGD-HUUCEWRRSA-N 477.031 2.334 30 10 JEEE C=C(Cl)Cn1c(N2CCC(NS(=O)(=O)CCC)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1722558316 KLCBJQKEPQDSRJ-HXUWFJFHSA-N 476.043 2.369 30 10 JEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 1722686101 SWLAERNTNHHTSV-CVEARBPZSA-N 496.659 2.129 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)C1CCN(CCn2cccn2)CC1 1722703910 LLCDJONSIFKIAH-FYYLOGMGSA-N 498.676 2.296 30 10 JEEE CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(CS(C)(=O)=O)CC2)C[C@H]1C 1728620566 AHJRVCJXWOGGCY-GOSISDBHSA-N 472.615 2.084 30 10 JEEE COc1ncccc1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1730342924 BURCNYTXDSTSPE-UHFFFAOYSA-N 478.532 2.206 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCN(C)C(=O)OC(C)(C)C)CC1 1740706632 YJSGXEGHUHFGFJ-IBGZPJMESA-N 474.606 2.352 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1740709546 OUTQKACMNZTYOF-UHFFFAOYSA-N 485.511 2.314 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1nncn1CC 1740731770 HHNDWAOGZGRLCF-GAJHUEQPSA-N 470.578 2.238 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1740965472 PYIFVKZGYGYLQM-RBUKOAKNSA-N 486.642 2.038 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H](C)[C@@H](C)C1 1740988039 RPCVOEJWNMICLA-IRXDYDNUSA-N 466.629 2.432 30 10 JEEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 1740995816 YGSWCPUWDQOONZ-UHFFFAOYSA-N 460.564 2.380 30 10 JEEE CN(C)C(=O)COc1cccc(Cn2c(-c3cccn3C)nnc2N2CC[C@](F)(C#N)C2)c1 1747546325 CYHUZPMMMUYHED-QHCPKHFHSA-N 451.506 2.241 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCS(=O)(=O)NC(C)C 1748687343 IOHMPASYRJODJD-SJORKVTESA-N 468.624 2.136 30 10 JEEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1748698418 VDTOYNFMQWSMCN-QFIPXVFZSA-N 486.580 2.078 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@]1(C)CCCO1)[C@H]1CCS(=O)(=O)C1 1748807884 DAGJTVMSZHTWDG-RXVVDRJESA-N 459.528 2.049 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCN1CCCC[C@H]1CC)[C@@H]1CCS(=O)(=O)C1 1748820979 KRUGBBFWHVASJD-FGZHOGPDSA-N 487.674 2.031 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@@H]1CCSC1)[C@@H]1CCS(=O)(=O)C1 1748823930 FUCCFPJZYALMNN-FUHWJXTLSA-N 464.588 2.376 30 10 JEEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1749049670 NVNONQWNANGBQA-OZIGNCPNSA-N 450.605 2.143 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1749052208 ZPKPELQIJSTDDP-MHECFPHRSA-N 451.575 2.077 30 10 JEEE C=C(Cl)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1749276312 HXZVWWWHTNKFMJ-SFHVURJKSA-N 471.009 2.306 30 10 JEEE COC[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](N2CCOCC2)C(F)(F)F)C1 1749533270 FPDHAFSMTDNYGN-ICSRJNTNSA-N 494.518 2.465 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 1749677865 MWUXAZGMWSCYDS-FQEVSTJZSA-N 493.612 2.410 30 10 JEEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 1749754613 PEXMBCOVDSLYFM-HZPDHXFCSA-N 459.572 2.219 30 10 JEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2nnc(C(C)C)o2)C1 1760138368 XEWWTPJDLZVNAT-IAGOWNOFSA-N 462.576 2.068 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1[C@H]1C[C@H](c2ccccc2C)C1)[C@H]1CCS(=O)(=O)C1 1760184426 XDZBSQWSSQKFBF-UFYCRDLUSA-N 469.611 2.470 30 10 JEEE C#CCN(c1nnc(-c2ccccc2F)n1Cc1ccc(OC)nc1)[C@H]1CCS(=O)(=O)C1 1760184548 JPRJMDSJHVFPDW-KRWDZBQOSA-N 455.515 2.163 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1CCN(C)CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1760192295 SMCJVJBSSLDJCV-IBGZPJMESA-N 483.560 2.184 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1C[C@@H](c1ccc(C)cc1)N1CCOCC1 1760248875 FLIYPSDBUHMZIE-PKTZIBPZSA-N 453.587 2.250 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1760520313 JVGUBNYEXAPZJH-UHFFFAOYSA-N 458.435 2.409 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)c(C)c2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1760557822 XDSNNPVWXKYXGA-GBXCKJPGSA-N 490.626 2.459 30 10 JEEE CC[C@@H](C)c1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1763744547 CPRIZGVPAQHCKC-ZHRRBRCNSA-N 493.033 2.193 30 10 JEEE CN(C)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1)C1CCCCC1 1766893811 HLRGLYRYNBOAAY-DBXWQHBBSA-N 452.600 2.133 30 10 JEEE CS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1771356300 FHMFUYDCDQVIGU-UHFFFAOYSA-N 471.974 2.236 30 10 JEEE O=C(C1=C(O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1ccc(O)c(O)c1)c1ccc2c(c1)OCCO2 1862606856 BLWJPYHGPBMVAY-HSZRJFAPSA-N 496.516 2.170 30 10 JEEE COc1ccc(CCN2C[C@@H](C(=O)Nc3c(C#N)nnn3Cc3ccc(F)cc3)CC2=O)cc1OC 1870109566 YPCATNYKGJKXHK-SFHVURJKSA-N 492.511 2.384 30 10 JEEE C=CCn1c(C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)cc2c(N3CCC(C(N)=O)CC3)ncnc21 1873672671 OYHSYCBUOXJPHE-UHFFFAOYSA-N 479.497 2.488 30 10 JEEE NC(=O)CSc1nnc(COc2cc(F)ccc2F)n1/N=C/c1ccc(O)c([N+](=O)[O-])c1 1874261252 BQUQFJWDILQGOP-QPJQQBGISA-N 464.410 2.209 30 10 JEEE CN1CCN(CC#CCOC2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)CC1 1889597105 UWLIWISZQUFWEU-UHFFFAOYSA-N 459.534 2.126 30 10 JEEE CC(C)(C)OC(=O)N1CC(O)([C@@H](F)C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2180980187 GIPOVKZHSANYRX-INIZCTEOSA-N 468.306 2.383 30 10 JEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NOCCNC(=O)OC(C)(C)C 2247900685 YWMQFCPNRIADAI-UHFFFAOYSA-N 462.399 2.090 30 10 JEEE CN(CCNC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2255744568 LFMQBYLYYHJVEJ-UHFFFAOYSA-N 458.361 2.270 30 10 JEEE C[C@@H](CNC(=O)OC(C)(C)C)CNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2255794608 AGTLCBVSATUMPO-ZDUSSCGKSA-N 475.442 2.023 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)s2)CO1 2256623680 GPJQFETXUAOSMA-QWHCGFSZSA-N 453.370 2.311 30 10 JEEE CC(C)(C)OC(=O)NCCc1nc(=NC(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)s[nH]1 2266995667 CFZRRKSYVNIUHQ-UHFFFAOYSA-N 464.353 2.172 30 10 JEEE CO[C@H]1C[C@H](CNC(=O)OC(C)(C)C)N(C(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)C1 2267005196 KZJQBKGZMRKDRR-KGLIPLIRSA-N 467.397 2.197 30 10 JEEE Cc1cc(C(=O)N[C@@H]2COCC[C@@H]2NC(=O)OC(C)(C)C)oc1B1OC(C)(C)C(C)(C)O1 2267127549 JWJGNWOXMGRDJV-LSDHHAIUSA-N 450.341 2.299 30 10 JEEE CC(C)(C)OC(=O)N1CCCO[C@@H](CNC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2267168791 FTURRANVUDTVMQ-AWEZNQCLSA-N 467.397 2.198 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](CNC(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C[C@H]1O 2267280172 MMOGGDNPUCIJIX-FVQBIDKESA-N 466.409 2.441 30 10 JEEE CCON(CCNC(=O)OC(C)(C)C)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2267708301 HJLMQWDDFQRCDN-UHFFFAOYSA-N 491.441 2.050 30 10 JEEE C[C@H]1CC[C@@H](NC(=O)C(F)(F)F)CN1S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2267711405 KRCGVVVKKCESLK-NWDGAFQWSA-N 482.355 2.267 30 10 JEEE CN(Cc1sccc1B1OC(C)(C)C(C)(C)O1)C(=O)C1(NC(=O)OC(C)(C)C)CC(O)C1 2268704732 AKFFVHNHNWRPSO-UHFFFAOYSA-N 466.409 2.424 30 10 JEEE Cc1c(C(=O)N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281801542 FOBBZMFBTYMYMK-MRXNPFEDSA-N 462.400 2.405 30 10 JEEE Cc1cnc(C(=O)N2C[C@@H](NC(=O)C(F)(F)F)C[C@@H](C)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2281956676 BCNLDBYJQRWMKR-KGLIPLIRSA-N 455.286 2.218 30 10 JEEE Cn1cc(C(=O)NC[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2281969608 BJMZBBRUIXWEAV-GFCCVEGCSA-N 476.305 2.295 30 10 JEEE Cc1c(C(=O)N[C@@H]2CSCCN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281976541 CUKWQUSRKAFYGM-HNNXBMFYSA-N 480.440 2.110 30 10 JEEE Cc1nn(C)c(C(=O)NC[C@@]23C[C@@H]2CN(C(=O)OC(C)(C)C)C3)c1B1OC(C)(C)C(C)(C)O1 2281980195 AIKCTFIHDBDIPV-IQMFZBJNSA-N 460.384 2.015 30 10 JEEE Cc1nn(C)c(C(=O)N[C@@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2282057708 KNFJMBKXSVENKX-JKSUJKDBSA-N 462.400 2.451 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](O)CN1C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2282473902 RBGFOPTXDOZBGP-JKSUJKDBSA-N 464.343 2.225 30 10 JEEE CN(C[C@H](O)COCc1ccccc1)S(=O)(=O)c1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2282499128 AKOXVHYFDQDFRG-SFHVURJKSA-N 479.379 2.323 30 10 JEEE C[C@H](NC(=O)c1occc1B1OC(C)(C)C(C)(C)O1)C1(O)CCN(C(=O)OC(C)(C)C)CC1 2282528346 QQWYBFBLBUZFJW-HNNXBMFYSA-N 464.368 2.459 30 10 JEEE Cn1ncc(C(=O)NC[C@@H]2C[C@H]3CC[C@H]2N3C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2282572546 MVWGUDKPZFETFD-ZMSDIMECSA-N 460.384 2.237 30 10 JEEE CC(C)[C@H](C)[C@@H](CNC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2282611610 NIOHUKFZVCQDER-LSDHHAIUSA-N 465.404 2.030 30 10 JEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)C1NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2282629108 SAJZYXOVWHLBJQ-GJZGRUSLSA-N 460.384 2.397 30 10 JEEE CC(C)(C)OC(=O)NCC[C@@H]1CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)CCO1 2282676968 RFIZPWJOENSFTD-QGZVFWFLSA-N 461.368 2.137 30 10 JEEE CC(C)(C)OC(=O)N1CC=C(CNS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)CC1 2282837240 CKPVVIGBMRLPDH-UHFFFAOYSA-N 499.464 2.429 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@H](C1)N2C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2283063773 XJEIOULLUXJXJH-IYBDPMFKSA-N 458.368 2.390 30 10 JEEE COc1ccc(OC)c([C@H]2C(=C(O)c3ccccc3)C(=O)C(=O)N2CCN2CCOCC2)c1 2296091273 IMFSDPSZAMTBOK-QFIPXVFZSA-N 452.507 2.458 30 10 JEEE COc1ccc(C=C2Oc3cc(OCC(=O)N[C@@H](C)C(=O)O)ccc3C2=O)c(OC)c1OC 2297472014 INAPSRNZRWBOPA-LBPRGKRZSA-N 457.435 2.297 30 10 JEEE Cn1cc(C(=O)N2CCC([C@@H]3CN(c4ccc(C#N)c(C(F)(F)F)c4)C[C@@H]3C(N)=O)CC2)cn1 2297650946 WQVNBPQZDOQVKJ-OALUTQOASA-N 474.487 2.401 30 10 JEEE C=CCC1(N[C@]2(C(=O)O)CCOC[C@H]2NC(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)C1 2325128167 QDAVNBWCQCJJJH-IVZQSRNASA-N 455.552 2.279 30 10 JEEE C=CCn1c(CNc2ccccc2)nnc1SCC(=O)Nc1nnc(SCC(N)=O)s1 20831164 NKDFPZNADZYRFX-UHFFFAOYSA-N 476.613 2.236 30 10 JEEE COC(=O)c1ccc(/C=N/Nc2nnc(SCCC(=O)Nc3ccc(OC)cc3)n2N)cc1 20914022 LEWQTLGOSUTSSO-YDZHTSKRSA-N 469.527 2.354 30 10 JEEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(NS(=O)(=O)c3cc(C)ccc3C)cc2)CC1 33233776 GLIPAIKDKNJHCP-UHFFFAOYSA-N 470.595 2.164 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccc4nc(CCN5CCOCC5)[nH]c4c3)cc2C1=O 505058104 PRIDDWNOFYBBBE-UHFFFAOYSA-N 459.506 2.472 30 10 JEEE CC1(C)OB(c2ccc3c(c2)CN(S(=O)(=O)CCCN2C(=O)c4ccccc4C2=O)C3)OC1(C)C 707907914 VCCAPDABZCOUQE-UHFFFAOYSA-N 496.394 2.318 30 10 JEEE C#Cc1cccc(-n2c(=C(C#N)C(=O)NCC=C)sc(=Cc3cc([N+](=O)[O-])ccc3Cl)c2=O)c1 726579598 JYRFCIMVYZGOQK-UHFFFAOYSA-N 490.928 2.247 30 10 JEEE C#CCN(C(=O)c1ccc(CNS(=O)(=O)c2ccc(F)c(Cl)c2)cc1)[C@@H]1CCS(=O)(=O)C1 729330877 GUVGLQCWZQOTFP-QGZVFWFLSA-N 498.985 2.220 30 10 JEEE CNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CCSc1ccc(Cl)cc1 729670572 WLDDOYYYPCHPEX-UHFFFAOYSA-N 496.017 2.252 30 10 JEEE CC#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](CC(=O)OC)C(=O)O 757197419 CRUNQKCYINIPJE-VXKWHMMOSA-N 478.501 2.440 30 10 JEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)c1 807428017 QJIXESKCPFIJMH-UHFFFAOYSA-N 469.607 2.099 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H]2C[C@@H](OC(C)(C)C)[C@H]2n2cccn2)ccc1F 1128982914 NNMZGSQPVQADIC-LMMKCTJWSA-N 450.536 2.414 30 10 JEEE C=CCN(C(=O)[C@H](Cc1cccc(OC)c1)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1264995623 NFRJPPFUOAAJJM-MJGOQNOKSA-N 452.573 2.333 30 10 JEEE C#CCCCCn1c(-c2cc(Br)cn2C)nnc1N1CCN(C(=O)COC)CC1 1286315860 PERMRJLZJXMMEO-UHFFFAOYSA-N 463.380 2.145 30 10 JEEE C#CCCCn1c([C@H]2CCCOC2)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1286350055 TVEYBMANLJYPIY-NRFANRHFSA-N 457.600 2.238 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1Cc1ccoc1)[C@@H]1CCS(=O)(=O)C1 1286380825 DNZUFRCUWKEALL-GOSISDBHSA-N 486.550 2.239 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1c[nH]c2c(C)cccc12 1286431820 SDMJYBSJIBQUOM-JOCHJYFZSA-N 494.621 2.106 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CCC2CCN(CC(F)(F)F)CC2)CC1 1286479546 HJJZXCDPKKUMTR-IBGZPJMESA-N 454.541 2.202 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@](C)(O)c2cccc(Cl)c2)CC1 1286485786 YBXZRZBYQHWZGP-NSXLHWASSA-N 474.005 2.318 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCNC(=O)c2cccs2)CC1 1286489209 JURHAPWDRIDQSK-UHFFFAOYSA-N 498.012 2.451 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](OC)C(C)C)CC1 1286492155 IAESBHGOQLQLQA-QFIPXVFZSA-N 464.570 2.366 30 10 JEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1286493495 CPFUAIZAYKNDFD-KRWDZBQOSA-N 462.620 2.326 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cn4ccccc4n3)n2C[C@H](C)SC)CC1 1286495264 YPICPPMQFWGVAN-KRWDZBQOSA-N 451.600 2.234 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)OCCOC)n1C[C@H]1CCCN1c1cc(NC)ncn1 1286518378 FKVYGXTZXJAOLB-KHCICDEESA-N 468.606 2.495 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1286783908 PUURLOQNJAQVNE-HSZRJFAPSA-N 485.976 2.395 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@@](O)(Cc2cccc(Cl)c2)C1 1286787590 HGPJGKVGJPDFBT-WZONZLPQSA-N 459.978 2.312 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CC[C@]2(CNC(=O)C2)C1 1286792249 RXSIWIHMWRYJNF-VWLOTQADSA-N 466.586 2.308 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1286823803 YOHNNSUTARWXKH-MOPGFXCFSA-N 471.631 2.036 30 10 JEEE CC(=O)N1CCN(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@@H](C(C)(C)C)C2)CC1 1286888561 CHFJEVZXFOUFOD-JOCHJYFZSA-N 465.602 2.232 30 10 JEEE CCS(=O)(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2cccnc2)CC1 1297746963 GIKYOWJEFAMORD-UHFFFAOYSA-N 465.583 2.363 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 1300269129 ZURRYZNAVZLVOA-PXNSSMCTSA-N 450.543 2.138 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@@](C)(O)[C@@H](C)CC)c1 1300330901 FAIZTZSAXILLNB-BXKMTCNYSA-N 454.575 2.270 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2CCCSC2)c1 1300332496 ICDRPJXHTCMRQW-IEBWSBKVSA-N 452.584 2.429 30 10 JEEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H](CN2CCOCC2)C1 1300372978 XWLACTFJBJXHOR-LJQANCHMSA-N 456.616 2.232 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@](C)(O)c1ccsc1)[C@@H]1CCS(=O)(=O)C1 1300481711 BORPQABIISJLLN-OFNKIYASSA-N 481.603 2.413 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1Cc1cccc(C2OCCO2)c1)[C@H]1CCS(=O)(=O)C1 1300496285 PHNBKPPYTLNNLJ-FQEVSTJZSA-N 458.584 2.197 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccc(Br)cc2)n1C[C@]1(O)CCO[C@H]1C 1300548841 QHUHTTOSHGKUOE-HRAATJIYSA-N 459.344 2.232 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)Oc1ccc(OC)cc1 1300578387 LSMPUFRANIONHH-RBUKOAKNSA-N 456.568 2.119 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCNC(=O)C(C)C)CC1 1300733441 VTEBYYOXXBLQLL-NHCUHLMSSA-N 486.661 2.325 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cccc(OCCN(C)C)c2)CC1 1301085432 JWGRFOYFYQFUPA-HXUWFJFHSA-N 459.616 2.325 30 10 JEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccc(Br)n2)CC1 1301106212 RLWCFCYLYSYPLJ-CYBMUJFWSA-N 469.409 2.497 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1301490037 JRADPKZIHLZOGM-UHFFFAOYSA-N 481.022 2.199 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)C[C@@H]1CCCO[C@H]1c1ccccc1 1301499108 XKRPSJZUANVSLL-IPJJNNNSSA-N 452.559 2.136 30 10 JEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2csc(CC)n2)CC1 1301611270 AMKOLKGGBUVEST-KRWDZBQOSA-N 496.728 2.441 30 10 JEEE CC(C)C(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)CC2CC2)CC1 1302420030 BWXJKFQJNVCVEH-UHFFFAOYSA-N 484.626 2.383 30 10 JEEE Cc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)c(O[C@H]2CCOC2)c1 1304348071 ATQXMDXQMNBUKP-PXNSSMCTSA-N 488.614 2.153 30 10 JEEE CCN(CC)C(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1313635224 DCFQBWZDOPZBDX-XMMPIXPASA-N 451.575 2.428 30 10 JEEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCC(CC#N)CC3)n2CCc2ccc(F)cc2)C1 1316354334 GLLZQYRZLZZVIU-FQEVSTJZSA-N 476.578 2.123 30 10 JEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)[C@H]2CC(c3cc(F)ccc3F)=NO2)c1 1356458024 OJIJBYFYMHUUTD-JOCHJYFZSA-N 453.445 2.331 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2CC2(C(=O)NCC)CCC2)c1 1358902037 CUWJJNQEZIPJNM-UHFFFAOYSA-N 472.553 2.098 30 10 JEEE C#CCN(c1nnc([C@@H](C)CC)n1CCc1cccc(C(=O)NC)c1)[C@@H]1CCS(=O)(=O)C1 1358957544 VUOLTMIYLJYCCH-FXAWDEMLSA-N 457.600 2.021 30 10 JEEE C#CCN(c1nnc(C)n1C[C@H](c1ccc(OC)cc1)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1358957736 ZLBQCBWHWPXLKK-IFMALSPDSA-N 457.600 2.059 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCN(C)Cc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1358964025 RSURASLIOUJPDG-UNMCSNQZSA-N 489.617 2.070 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H](C)N(C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1358964580 BRZKCIBELROGMS-QPPBQGQZSA-N 492.649 2.411 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(COCC(F)(F)F)cc1 1358977935 AEUDHRHZMCHXTO-LJQANCHMSA-N 480.512 2.380 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(N2CCC(OC)CC2)CCCC1 1358994675 TZLHXIFPAOPFRL-OAQYLSRUSA-N 487.670 2.067 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1CC(=O)NC1CCCCC1 1359025795 ZALIFQCINTXVOU-OAQYLSRUSA-N 453.543 2.326 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccc(OCC)cc3)n2C[C@H]2COCCO2)CC1 1359041372 URRAIXDYKIALQQ-XXBNENTESA-N 497.596 2.198 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H](C2CC2)N(C)C)CC1 1359042694 QFZYLHALZAHNDQ-JOCHJYFZSA-N 480.613 2.268 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2CCCN2C[C@H](C)O[C@H](C)C2)CC1 1359046277 LMRPHJVUWHTYPX-BGYRXZFFSA-N 484.670 2.396 30 10 JEEE C=C(Br)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(NC(=O)COC)CC1 1359079064 XPQFIEWPBDNHTE-UHFFFAOYSA-N 479.335 2.493 30 10 JEEE C=C(C)COCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCN(C(C)=O)CC1 1359133322 PQOHKJPMLGRGQZ-HXUWFJFHSA-N 492.621 2.238 30 10 JEEE C=CCn1c(N2CCN(CC(=O)NC3CCC(C)CC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1359290501 DHKRPLBBLIUYNE-BAWHURIHSA-N 474.650 2.322 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCCCO3)n2CCc2ccc(S(N)(=O)=O)cc2)C1 1359319657 COKLBCXOVOFNHI-ICSRJNTNSA-N 461.588 2.191 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)[C@@H](C)CC#N 1359330855 FMIXNVLAISEZBI-INIZCTEOSA-N 469.571 2.014 30 10 JEEE CCN(C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCc2cnn(C)c2)CC1)S(C)(=O)=O 1501683533 DKBIJOALPZKTSA-UHFFFAOYSA-N 496.641 2.433 30 10 JEEE CN(c1nnc(COc2ccc(C#N)cc2)n1CCC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1503431522 HBYFNADOQNSDBO-LJQANCHMSA-N 459.572 2.169 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](c1ccc(OC)cc1)N1CCCC1 1507514398 CUIUIHUWBRSXTK-BBTUJRGHSA-N 474.631 2.192 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H](C)N(C)C)c1 1507552934 WCOASHWUNZJHPV-JLMWRMLUSA-N 454.575 2.008 30 10 JEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1507576545 MMQQVSGKXCPNHQ-ICSRJNTNSA-N 456.616 2.282 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccc(OC)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 1507630703 FYNLUJNHDRFIFB-QGZVFWFLSA-N 474.974 2.016 30 10 JEEE C#CCN(c1nnc(C2CC2)n1C[C@H](c1c(F)cccc1F)N(C)C)[C@H]1CCS(=O)(=O)C1 1507631158 MOSSLXLMINMMGI-QFBILLFUSA-N 463.554 2.363 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCOCc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1507632167 JNFGMZGZKMZBRW-IFMALSPDSA-N 488.610 2.372 30 10 JEEE C#CCN(CC)c1nnc(-c2ccc(OC)c(Br)c2)n1CCNS(=O)(=O)CC 1507685962 YWCVRVBXRLZYKW-UHFFFAOYSA-N 470.393 2.115 30 10 JEEE C#CCN(CCOC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC1(O)CCOCC1 1507711764 ZFRIEYKSTHQZML-UHFFFAOYSA-N 477.606 2.020 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H]2CC(F)(F)CO2)CC1 1507733334 USIYBLJUPUVTQZ-FGTMMUONSA-N 480.560 2.228 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCN(CC(F)F)CC2)nnc1[C@]1(OCC)CCOC1 1507811416 QUIOUWAXPMKLNL-JLMWRMLUSA-N 455.550 2.299 30 10 JEEE C=CCCOCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1507960706 VQDGWRMWLMZELK-JOCHJYFZSA-N 473.965 2.401 30 10 JEEE C=CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1508042778 WYEILNLNCHNFDS-DENIHFKCSA-N 465.602 2.322 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](CN2CCCCCC2)C1 1508096196 CQVBLTVNGYMFRM-GIWBLDEGSA-N 474.650 2.397 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2Cc2cc(C)nn2C)C1 1508118273 RFZXHWWKCKKAOZ-HXUWFJFHSA-N 485.614 2.067 30 10 JEEE CC(C)CO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCS(=O)(=O)CC2)C1 1509464715 GZKNRYMSAUYUAR-FQEVSTJZSA-N 473.599 2.008 30 10 JEEE CCOCc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@@H]1CCOC[C@H]1OC 1516600408 AYMJFOYLAQPBNR-FCHUYYIVSA-N 454.575 2.060 30 10 JEEE CNS(=O)(=O)CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@@](F)(C#N)C1 1517624715 CCRNQTLHZSYKOJ-QGZVFWFLSA-N 477.349 2.155 30 10 JEEE COc1ccccc1-c1nnc(N2CCC(CC#N)CC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1518434825 CXFXVXJDNVTJAF-GOSISDBHSA-N 458.588 2.365 30 10 JEEE C#C[C@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CCNS(=O)(=O)c1ccc(C)s1 1539023332 UIKSYXFQPQBUSC-INIZCTEOSA-N 483.623 2.323 30 10 JEEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1Cc1cnn(CCOC)c1 1539170786 BRVAREWGCKNBKO-UHFFFAOYSA-N 460.542 2.197 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1C[C@]1(O)CCSC1)[C@@H]1CCS(=O)(=O)C1 1539205017 FATHQENKNAYGKH-GSHUGGBRSA-N 494.614 2.052 30 10 JEEE C#CCN(c1nnc(-c2ccc(OCCC)c(OC)c2)n1CC1(C)COC1)[C@H]1CCS(=O)(=O)C1 1539213004 ZMHDDPBYAAJVSW-IBGZPJMESA-N 488.610 2.406 30 10 JEEE C#CCN(c1nnc(-c2c[nH]c3ccccc23)n1CCSCCCO)[C@H]1CCS(=O)(=O)C1 1539216222 PJRDDWJDQUSZIJ-KRWDZBQOSA-N 473.624 2.169 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccc(OC)cc1)N1CCCC1 1539323690 JGDOFEOYHYJQOJ-UPVQGACJSA-N 495.649 2.489 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CCN2CCCC2)CC1 1539469524 BIOUHARZMJDFSM-UHFFFAOYSA-N 496.612 2.033 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ncc(CC)s2)CC1 1539488109 HHZKFCVWJRWGJT-UHFFFAOYSA-N 466.615 2.173 30 10 JEEE C#CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1539490502 DJQJWBFPYBLWQT-JOCHJYFZSA-N 475.018 2.190 30 10 JEEE C=CC1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccccc2CN2CC[C@@H](O)C2)CC1 1539867527 CGNHFOHMMWRZHZ-JOCHJYFZSA-N 452.603 2.434 30 10 JEEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)N1CCN(c2ccccc2)CC1 1540072521 LWJKFXCCOBXDBW-PMACEKPBSA-N 458.632 2.013 30 10 JEEE C=CCn1c(-c2cc(Br)cn2C)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1540854595 RYGLGRXAGNOYIY-HNNXBMFYSA-N 464.412 2.269 30 10 JEEE COC[C@]12CN(c3ccc(C#N)c(C(F)(F)F)c3)C[C@H]1CCN(S(=O)(=O)c1cn(C)cn1)C2 1548365798 VFSHKXZUIAUBTK-OXQOHEQNSA-N 483.516 2.474 30 10 JEEE CO[C@@]1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(C(=O)NC(C)(C)C)CC2)CCOC1 1554713503 FGRWMUKVZJMPNW-XMMPIXPASA-N 467.574 2.252 30 10 JEEE COCCn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1555566706 CIDQWDMQYJFLQU-UHFFFAOYSA-N 459.572 2.313 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@](C)(O)c1ccsc1)[C@@H]1CCS(=O)(=O)C1 1588045478 LOZKNGGRHIXSLY-OFNKIYASSA-N 481.603 2.413 30 10 JEEE C#CCN(c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCCC)[C@H]1CCS(=O)(=O)C1 1588049734 LAAINTJRGFBGPI-SFHVURJKSA-N 482.610 2.492 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1CC(C)(C)c1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1588050354 RRJBMSLRYBXUHA-IBGZPJMESA-N 480.594 2.348 30 10 JEEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1CC1=CCCOC1)[C@@H]1CCS(=O)(=O)C1 1588069058 GIFAXXWFQUVRAX-OAQYLSRUSA-N 470.595 2.447 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2CC[C@H](N2CCOCC2)C(F)(F)F)CC1 1588800927 RNVVMGXXZAAYKU-NRFANRHFSA-N 492.546 2.362 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](CC(C)C)N(C)C)CC1 1588961913 PZWGCFVOMCLELV-QFIPXVFZSA-N 468.650 2.082 30 10 JEEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1595398391 CDJYZGSABIHCRE-UHFFFAOYSA-N 482.651 2.487 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N(C)[C@H](C)c1cccc(N2CCOC2=O)c1 1595530027 QCFVPJDDRSJRCH-MRXNPFEDSA-N 462.514 2.191 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCN(CCN2[C@@H](C)CC[C@@H]2C)CC1 1595772964 KSXLKTWFGNIDOW-PMACEKPBSA-N 490.674 2.442 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC[C@H](NC(=O)CC)C1 1595812023 KTPXECWKAHTRNA-IBGZPJMESA-N 484.626 2.446 30 10 JEEE C[C@H]1C[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(OCC(N)=O)CC2)CCO1 1612694228 HTLXIGSNMIMCTO-HKUYNNGSSA-N 468.558 2.015 30 10 JEEE CC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1)OC 1613623412 AIRTZQJFJWJFJF-BJKOFHAPSA-N 481.645 2.473 30 10 JEEE CCC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1614342679 BORDHLJKSSCNSV-GJZUVCINSA-N 481.645 2.496 30 10 JEEE C[C@H]1C[C@@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@@H]2O)[C@H](C)C(=O)O[C@@H]([C@H](C)O)[C@@H](C)C=CC1=O 1615671705 UEIVQYHYALXCBD-UNAYPQTLSA-N 469.619 2.164 30 10 JEEE biogenic C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1CN(CC(F)(F)F)C[C@H]1c1ccccc1 1639049626 CHPYLLXTYLXGNZ-RYGJVYDSSA-N 480.512 2.372 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CCCN2CCCCCC2=O)c1 1689870279 IWLOBGFBXXOKGU-OAQYLSRUSA-N 491.596 2.078 30 10 JEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1689930031 JOKDGNHFMMQSGP-ROUUACIJSA-N 465.620 2.287 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1CC1(COC)CCOCC1 1690104341 UCWOISMBCAFYMS-NRFANRHFSA-N 456.543 2.320 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@]2(OC)CCOC2)CC1 1690137806 JGUJYTGIKZAKSB-BVZFJXPGSA-N 485.560 2.329 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCCN2CCCC[C@@H]2C)CC1 1690146041 DLOHMVAYAMWKEE-UNMCSNQZSA-N 456.635 2.402 30 10 JEEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC(N2CCCCC2=O)CC1 1690674820 GKRTVNLBSFWGPK-UHFFFAOYSA-N 480.613 2.355 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@]2(C)OCCc3sccc32)C1 1690686192 KOTPQLHVFZMUAH-MRUHUIDDSA-N 481.644 2.219 30 10 JEEE C[C@]1(C#N)CCCN(c2nnc(COc3ccc(F)cc3)n2CC2(O)CCS(=O)(=O)CC2)C1 1692845695 HOWFOWSXVGPVET-OAQYLSRUSA-N 477.562 2.066 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCOC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1705561028 MVKVAIGBZRHEQA-ZOBUZTSGSA-N 496.431 2.335 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1705651887 KGVKXNMGIYROBJ-GOSISDBHSA-N 465.587 2.342 30 10 JEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N(CC)Cc1nc(O)c2ccccc2n1 1705652495 BNOFIWLQXPQAKP-UHFFFAOYSA-N 453.572 2.458 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCCCCO)CC1 1705652836 PDANHPQYIAQMPS-FQEVSTJZSA-N 488.633 2.479 30 10 JEEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1705660105 MUJZLGLSLCPZBG-MRXNPFEDSA-N 459.538 2.433 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@H](N2CCCC2=O)C1 1705694758 SZAUWUQEVMJWFV-CUWPLCDZSA-N 458.607 2.379 30 10 JEEE C=C(Cl)Cn1c(CC2CC2)nnc1N1C[C@@H]2[C@H](C1)[C@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1705757445 LPJXBLQVRDHVFB-BZUAXINKSA-N 472.011 2.110 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCn1cc(C)cn1 1705861492 HIIKFPIZKMXQQF-NRFANRHFSA-N 485.614 2.009 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)n(C)c1=O 1705880251 ZIXITQVWRZWGLY-LJQANCHMSA-N 471.583 2.064 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cc(OC)ccc2OC)C1 1705925087 LBUISLGFZKZICL-QFBILLFUSA-N 462.572 2.027 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC(O)(Cc2ccccc2F)CC1 1705932059 JUIFSQVHEBGCNX-UHFFFAOYSA-N 486.573 2.049 30 10 JEEE C[C@@H]1CSCCN1c1nnc(COc2ccc(C#N)cc2)n1CC(=O)NCC(F)(F)F 1708269199 HBWSUQXKSQVHHN-CYBMUJFWSA-N 454.478 2.349 30 10 JEEE CCCN(CCn1c(N2CCO[C@H](C#N)C2)nnc1[C@@]1(OCC)CCOC1)C(=O)OC(C)(C)C 1709740379 HKJKENWJFQSAAV-WZONZLPQSA-N 478.594 2.306 30 10 JEEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@H]2CCCCO2)C1 1710345863 IDMPQJDRAGKSIT-WOJBJXKFSA-N 458.588 2.294 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2CC[S@@](=O)C(C)(C)C)c1 1722307716 VJPXXIWVNHVADU-UUWRZZSWSA-N 484.626 2.004 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2cc(C(C)(C)C)no2)CC1 1722432017 VFCWXTLFCPEPIH-XMMPIXPASA-N 456.591 2.408 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(O)(Cc2ccc(F)cc2)CC1 1722459238 GHLKONRDMFYPDZ-IBGZPJMESA-N 492.642 2.260 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CC[C@H](CCOC)C1 1722698447 YVEQGUIUTWLEOZ-GOSISDBHSA-N 479.585 2.401 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1722729670 SXLUGHJQMLZVTD-VQTJNVASSA-N 457.600 2.026 30 10 JEEE CCS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(CC#N)CC1 1729206321 DZSAATVPKQTFAA-UHFFFAOYSA-N 472.619 2.017 30 10 JEEE C#CCCCn1c(COc2ccccc2F)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1740596206 WYCQFSBXNDZNCH-GOSISDBHSA-N 461.563 2.414 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCN(C)[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1740621815 ZJCCDROTRKZIJH-SJLPKXTDSA-N 465.023 2.351 30 10 JEEE C#CCN1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CC(CC)(CC)OC)CC1 1740696330 REISSVMGTNJQAY-UHFFFAOYSA-N 466.634 2.413 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1740954911 JBCQQIACOXOUMF-QGZVFWFLSA-N 465.558 2.067 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCCN(C(=O)CCc2ccccc2)CC1 1740962068 RLQOLMCHLCKXPR-UHFFFAOYSA-N 487.608 2.238 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1740963262 FSNSBBQCWYXKGM-UHFFFAOYSA-N 491.596 2.260 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1740985109 BJPLQDYLWMIPFZ-FQEVSTJZSA-N 466.696 2.387 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](Cc2ccccc2)C1 1740993672 BVCOXZRIHDOVEU-JOCHJYFZSA-N 484.626 2.188 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1Cc1ccccc1-c1cnn(C)c1 1741919027 DSLXRZAWHTVQGQ-QGZVFWFLSA-N 482.614 2.467 30 10 JEEE Cc1nnc(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCC(N(C)S(C)(=O)=O)CC2)s1 1742734564 FPUXDJWSGYIQAH-UHFFFAOYSA-N 486.627 2.080 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCCN1CCOCC1 1748665763 UTAFIYKSBCTPQN-LJQANCHMSA-N 463.586 2.416 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1csc([C@H](C)OC)n1 1748841951 CDEPXZRJPBTAHI-INIZCTEOSA-N 473.562 2.477 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@]1(OC)CCOC1 1748844033 NBMXSEIRQAMOPH-DVECYGJZSA-N 457.575 2.271 30 10 JEEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1(C(=O)NCC)CCC1 1748889760 FJCUWXSGTPUPNQ-UHFFFAOYSA-N 474.613 2.221 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCNC(=O)C2CC2)CC1 1748979320 YIMIIGSBEMNJFV-HXUWFJFHSA-N 450.587 2.316 30 10 JEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2ccccc2Cl)C1 1749023506 UATHPVIDZOJGHF-MAUKXSAKSA-N 484.047 2.486 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCNC(=O)CC1 1749122453 WBADKOCGYYCVHH-IIBYNOLFSA-N 471.558 2.278 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(OCCc2ccccc2)CC1 1749193982 VVCPWRFXJZXVAM-QFIPXVFZSA-N 489.642 2.415 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1749695679 HGYAROSJADOPMC-DZGCQCFKSA-N 470.393 2.252 30 10 JEEE N#C[C@H]1CN(c2nnc(-c3ccc(Br)s3)n2CCC2(O)CCOCC2)CCO1 1750386114 HISNWGSINAAXGS-ZDUSSCGKSA-N 468.377 2.429 30 10 JEEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCN2S(C)(=O)=O)C[C@H](C(F)(F)F)O1 1752321022 HYPZSGSQOXDDKA-BMGDILEWSA-N 498.531 2.397 30 10 JEEE C#CCN(c1nnc(C(C)C)n1Cc1ccccc1CN1CCC[C@H]1CO)[C@H]1CCS(=O)(=O)C1 1760184102 VIHLPQXSZJAMGD-GOTSBHOMSA-N 485.654 2.033 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@H](OC)C(C)C)[C@H]1CCS(=O)(=O)C1 1760189380 IINPAHQTFCLSFB-FPOVZHCZSA-N 460.600 2.175 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCC[C@@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1760189813 WWXHCSJNFQUJRO-AABGKKOBSA-N 450.605 2.496 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCS(=O)(=O)NC(C)C 1760234419 MZXDVUIURWZAOQ-GOSISDBHSA-N 482.651 2.180 30 10 JEEE C#CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCN1CCC(C)CC1 1760243569 AALYNKNQVCJWPV-UHFFFAOYSA-N 487.674 2.365 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2CCN(C)CC(F)(F)F)CC1 1760262562 QNZCOUUADBXUJF-UHFFFAOYSA-N 450.509 2.127 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@](C)(O)c2cccs2)CC1 1760264459 OYQNIEALCSHLCU-XMMPIXPASA-N 462.579 2.453 30 10 JEEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1760283961 DHOWBHIBEZUNNX-KRWDZBQOSA-N 469.640 2.439 30 10 JEEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1760300119 SVCJHDXVQHMUFG-UHFFFAOYSA-N 479.339 2.369 30 10 JEEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1760311583 UENNKMWBOCYCTF-CQSZACIVSA-N 452.382 2.098 30 10 JEEE C=C(C)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1760344199 CUIDIEOJERYPBY-UHFFFAOYSA-N 470.574 2.102 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 1760356490 ONVHNHZCINIWFT-FQEVSTJZSA-N 458.607 2.297 30 10 JEEE C=CC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1760398931 RWLMNVKQSWRQAX-UHFFFAOYSA-N 461.544 2.195 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2nnc(C(C)(C)C)s2)CC1 1760402545 MZAFDIXKMKGIDX-INIZCTEOSA-N 495.675 2.211 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)CN1CCOCC1 1760480659 BARMVLQPQQESCP-UNMCSNQZSA-N 473.643 2.341 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@H](OC)C1 1760517170 FQGXGVAMEZIJAK-AWEZNQCLSA-N 450.337 2.244 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)COC)CC1 1760533477 RKFHIZWEIDYZPK-NRFANRHFSA-N 455.559 2.428 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1760553237 OZKHIZHOSQSMSP-IRXDYDNUSA-N 461.588 2.194 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@H](COC(C)C)C1 1760557994 COHPYBOTAVKCRE-XUVXKRRUSA-N 484.663 2.428 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](c2ccccc2C)C1 1760558958 GPKJMZIYFKAIRJ-BVSLBCMMSA-N 490.626 2.489 30 10 JEEE CCCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCO[C@H]2C)CC1 1766204402 BJMZSBAKENSFGL-BXKMTCNYSA-N 452.559 2.099 30 10 JEEE N#C[C@H]1CN(c2nnc(-c3cccc(OC(F)F)c3)n2CC2CCS(=O)(=O)CC2)CCO1 1771535863 BEBNKNCBHXVLSW-KRWDZBQOSA-N 467.498 2.100 30 10 JEEE CN(c1ccc(NC(=O)CCN2C(=O)c3ccccc3C2=O)cn1)S(=O)(=O)c1ccccc1C#N 1858261338 ZXVTZKLNAZXGDG-UHFFFAOYSA-N 489.513 2.403 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCNC(C)=O)[C@@H]2c2ccc(N(C)C)cc2)cc1OC 1862572670 KPLRRDHSXPINBT-JOCHJYFZSA-N 467.522 2.484 30 10 JEEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(C(=O)O)cc1 1862740940 YDHYWNNLJUFUPO-GOSISDBHSA-N 453.407 2.007 30 10 JEEE COC(=O)c1[nH]c2cc(OC)cc(OC)c2c1/C=N/n1cnnc1SCC(=O)NCc1ccco1 1873504613 DIVCRAMLWLWEIU-KIBLKLHPSA-N 498.521 2.447 30 10 JEEE COc1cc(/C=N/n2c(CNC(C)=O)nnc2SCC(=O)NC2CCCCC2)ccc1O 1874434144 PSSDMLYZZUXKMM-FOKLQQMPSA-N 460.560 2.052 30 10 JEEE CN1CCN(CC#CCOC2CCN(C(=O)Cc3ccc(F)cc3Br)CC2)CC1 1889407220 VKHAMUINDBHNRH-UHFFFAOYSA-N 466.395 2.389 30 10 JEEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)N3CCC(C[C@@H]4NC(=O)N(C)C4=O)CC3)n[nH]2)c1C 1891156412 AECVFMWUBSEBBU-SFHVURJKSA-N 453.547 2.259 30 10 JEEE Cc1nc(I)c(I)n1-c1ccc(C#N)c(N)n1 2017591063 NOBJJMMQDYHJIA-UHFFFAOYSA-N 451.009 2.239 30 10 JEEE C=CCN(CC(=C)Br)S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 2249457114 YKQRCDKGTSEZBS-HNNXBMFYSA-N 461.334 2.092 30 10 JEEE C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1sccc1B1OC(C)(C)C(C)(C)O1 2256620892 OCYILFOSFSSXNN-CJNGLKHVSA-N 454.398 2.280 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)cs1 2256623544 RGUZEQKWOGAXGP-HOCLYGCPSA-N 452.382 2.034 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)CC1 2256678013 JUVTVKPDFHAYPQ-CYBMUJFWSA-N 452.386 2.235 30 10 JEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC1(C(=O)O)CN(C(=O)OC(C)(C)C)C1 2267127384 QVEQHARFZWIRPQ-UHFFFAOYSA-N 466.365 2.160 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](CNC(=O)c2ccsc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1O 2267162879 SLSFQSDHMJAZCB-IMJJTQAJSA-N 466.409 2.441 30 10 JEEE CC(C)(C)OC(=O)NCC1(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2F)COC1 2267405154 KMSZHSPGCOYEPL-UHFFFAOYSA-N 450.316 2.148 30 10 JEEE C=C(CS(=O)(=O)NCCCN1CCN(C(=O)OC(C)(C)C)CC1)B1OC(C)(C)C(C)(C)O1 2267465361 NZELJBBOKBHHAC-UHFFFAOYSA-N 473.445 2.036 30 10 JEEE C[C@@H](NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1)C1CN(C(=O)OC(C)(C)C)C1 2267472992 YXYDGQGHOBZRDO-CYBMUJFWSA-N 487.453 2.117 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@@](O)(C(=O)NCc2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2268787325 TZPOHRWQUJOGQC-QFIPXVFZSA-N 466.409 2.426 30 10 JEEE CC1(C)OB(c2scnc2C(=O)N2C[C@H](CNC(=O)C(F)(F)F)C3(CCC3)C2)OC1(C)C 2282019044 GGQNWFPNCAGUIK-LBPRGKRZSA-N 473.326 2.363 30 10 JEEE 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)cnn2C)C1 2282042686 DHKSXNORYWWFJZ-JKSUJKDBSA-N 462.400 2.437 30 10 JEEE Cc1cccc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2CO)c1B1OC(C)(C)C(C)(C)O1 2282109145 HFDNBUUHPDBDSJ-KRWDZBQOSA-N 460.380 2.348 30 10 JEEE C[C@@H]1CCN(S(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C[C@@H]1NC(=O)OC(C)(C)C 2282350568 OVINTRVONQALCG-QAPCUYQASA-N 481.424 2.305 30 10 JEEE CN(CC1CCN(C(=O)OC(C)(C)C)CC1)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282535555 PVEDJUYHRNDIDF-UHFFFAOYSA-N 462.400 2.438 30 10 JEEE Cn1cc(C(=O)N2C[C@@H](NC(=O)OC(C)(C)C)CC23CCC3)nc1B1OC(C)(C)C(C)(C)O1 2282542483 FEEKQCKMLPRJFR-HNNXBMFYSA-N 460.384 2.381 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@H](NC(=O)C(F)(F)F)[C@H](C)C2)n1 2282552557 QZFRLGBAPFUDOI-DOMZBBRYSA-N 455.286 2.218 30 10 JEEE Cn1cc(C(=O)N2C[C@H](NC(=O)OC(C)(C)C)C3(CCC3)C2)nc1B1OC(C)(C)C(C)(C)O1 2282552976 UOMNLBHIRVYVDB-INIZCTEOSA-N 460.384 2.239 30 10 JEEE C[C@H](NC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 2282553534 SANMKGAIHHLQGO-HOTGVXAUSA-N 462.400 2.485 30 10 JEEE CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1nc(C)ccc1B1OC(C)(C)C(C)(C)O1 2282554962 LTXIKYNJKWPLSK-IRXDYDNUSA-N 461.368 2.053 30 10 JEEE Cn1cc(C(=O)N2CCC[C@@H]3[C@@H]2CCN3C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2282577193 BDFHMESZWMNVDA-SJORKVTESA-N 460.384 2.333 30 10 JEEE C[C@H]1CN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C[C@@]1(C)CNC(=O)OC(C)(C)C 2282629713 ZHBUKLOLLZGERO-NPMXOYFQSA-N 460.384 2.399 30 10 JEEE CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2283951561 XRICKYWQQFLOFV-IBGZPJMESA-N 461.412 2.399 30 10 JEEE Cc1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H]1COC[C@@H]1NC(=O)OC(C)(C)C 2285965205 JDVCZJJSFKNDCZ-MSOLQXFVSA-N 464.343 2.455 30 10 JEEE CC(C)(C)OC(=O)NCCCC[C@@H](NC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2289803829 WNSJVPDPEJCWJO-CQSZACIVSA-N 483.396 2.320 30 10 JEEE CCN(CC)C(=O)COc1ccc(C=CC(=O)C(=O)N2CCN(c3ccccn3)CC2)cc1 2323177707 GQJIJWBBRSYQNH-UHFFFAOYSA-N 450.539 2.260 30 10 JEEE COCc1nnc(SCC(=O)NCc2ccco2)n1N=Cc1cc(OC)c(OC)c(OC)c1 2331571242 HIEPXRXUPSWADG-UHFFFAOYSA-N 475.527 2.334 30 10 JEEE COC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2scc(B3OC(C)(C)C(C)(C)O3)c2C1 2336495476 WINJMUUFFVBWMV-INIZCTEOSA-N 466.409 2.472 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)n1C 2362338403 DYAYKTKKDCRKFK-HRCADAONSA-N 460.384 2.013 30 10 JEEE C=CCn1c(CNc2ccccc2)nnc1SCC(=O)Nc1ccc(S(N)(=O)=O)cc1 20831125 OGUMMJMPZMDJCU-UHFFFAOYSA-N 458.569 2.454 30 10 JEEE C/C(=N\Nc1nnc(SCC(=O)Nc2ccccc2[N+](=O)[O-])n1N)c1ccc2c(c1)OCO2 21318188 QHUNTLAAPDDDQF-SSDVNMTOSA-N 470.471 2.196 30 10 JEEE COc1cc([C@H]2/C(=C(/O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN(C)C)cc(OC)c1OC 102706904 GHYXCKVXLRSMTF-VFJWVMJUSA-N 498.532 2.467 30 10 JEEE C#CCN(C(=O)c1ccc(-n2ncc(C(=O)OCC)c2C(F)(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 729334281 LHSLUPSJKYWFCP-MRXNPFEDSA-N 483.468 2.330 30 10 JEEE Cn1cc(C=NNc2nc(SCC(=O)Nc3ccc(I)cc3)n[nH]2)cn1 1084429373 QBMRWZJNDJGWJI-UHFFFAOYSA-N 482.311 2.320 30 10 JEEE C=CCn1nc(C)c(C=NNc2nnc(SCC(=O)Nc3cc(OC)cc(OC)c3)n2N)c1C 1084452260 HKJQFBCTEDGMOU-UHFFFAOYSA-N 485.574 2.185 30 10 JEEE C#CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1286337421 HIIKDMGRDBEZQB-LJQANCHMSA-N 471.631 2.265 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCC(=O)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 1286387759 HWCJKXFAKUZMSJ-SFHVURJKSA-N 491.017 2.023 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1C[C@@H]1CCCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 1286388903 WRMXVAAAXWISJA-QFBILLFUSA-N 497.042 2.050 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@H](CC)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1286393268 QKHMINYMGGXGJG-PMACEKPBSA-N 461.657 2.432 30 10 JEEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2CCCN2C[C@@H](C)O[C@H](C)C2)CC1 1286479397 RJVNXXDGEDJQSQ-WOJBJXKFSA-N 472.584 2.402 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H]2CCOC[C@H]2OC)CC1 1286489586 YGZZXQNVVUTRLL-RBUKOAKNSA-N 472.977 2.011 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2C[C@H]2CN(CC(C)C)CCO2)CC1 1286491345 NXVJTQQJSHPEAQ-RUZDIDTESA-N 492.668 2.500 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2Cc2ncnn2C(C)(C)C)CC1 1286491402 QLCWCYNRLHXBEN-UHFFFAOYSA-N 478.576 2.369 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](Cc2ccccc2)OC)CC1 1286493276 NATPQDNSNBEUJS-DHIUTWEWSA-N 465.598 2.396 30 10 JEEE C#CCSCCn1c(N2CCC[C@@H](Cn3nc(C)nc3C)C2)nnc1[C@@]1(OCC)CCOC1 1286512720 NJJVVMJMMJWACN-NFBKMPQASA-N 473.647 2.422 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1-n1cccn1 1286517759 VDCOTYWFRGQJHH-HTAPYJJXSA-N 453.572 2.114 30 10 JEEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H]2CCCC[C@@H]2C1 1286710635 BFYBQIGSHLSWBC-AQNXPRMDSA-N 467.636 2.220 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(N2CCCNC2=O)CC1 1286782750 FCPAHPKRKNHEFA-UHFFFAOYSA-N 475.956 2.424 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@]2(O)CCO[C@@H]2C)C1 1286814075 JOUNJOLFWNCOMX-BERAWNTRSA-N 477.606 2.370 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCC(N2CCCCC2=O)CC1 1286820102 DZIVYQDFOQTHLP-LJQANCHMSA-N 465.620 2.102 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1286820252 IGPKICWTOFHAQS-GOSISDBHSA-N 453.653 2.157 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 1286820955 WKZZJIYNYDQDFC-MRXNPFEDSA-N 483.660 2.312 30 10 JEEE C=CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1286827588 UOUDKOWEDIELID-SFHVURJKSA-N 456.572 2.346 30 10 JEEE CC(=O)N1CCCN(c2nnc(-c3ccccc3Cl)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1286864508 GUIICWDKWHLZJF-LSDHQDQOSA-N 483.960 2.184 30 10 JEEE CC(C)OCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(C(N)=O)CCCC2)CC1 1288411168 BKJPDCGWOLCSSS-UHFFFAOYSA-N 465.602 2.409 30 10 JEEE CC1CCC(N2CCN(c3nnc(COc4ccc(C#N)cc4)n3CCS(C)(=O)=O)CC2)CC1 1291061879 BYHKZMJMTFUZQD-UHFFFAOYSA-N 486.642 2.474 30 10 JEEE CCN1CCN(C2CCN(c3nnc(-c4cccc(C#N)c4)n3CCCC(=O)N(C)C)CC2)C1=O 1296178957 CQGQZIHYEFUDCF-UHFFFAOYSA-N 478.601 2.411 30 10 JEEE CN(C)C(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N(C)Cc1ncc(Cl)n1C 1297992090 BCDWWIIWSYNKON-UHFFFAOYSA-N 456.938 2.230 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(Cl)c1C 1300309971 WARYLNSYCBTALJ-RDTXWAMCSA-N 451.980 2.079 30 10 JEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(O)(Cc2ccccc2F)CC1 1300381401 QQTNBIKPKPEWPK-KRWDZBQOSA-N 463.579 2.015 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCCOC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1300484506 SUXSLRBYZGZLKQ-NRFANRHFSA-N 483.594 2.029 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H](C)Oc1ccccc1OC)[C@H]1CCS(=O)(=O)C1 1300499051 OXDDRLGVSYMNIK-CTNGQTDRSA-N 495.605 2.367 30 10 JEEE C#CCN(c1nnc(CC)n1Cc1cc(Br)ccc1OC)[C@H]1CCS(=O)(=O)C1 1300499820 XQRSMQMAQHODQF-INIZCTEOSA-N 467.389 2.287 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1CCCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1300503237 BNGWNLDVBGBLJT-OAQYLSRUSA-N 471.627 2.278 30 10 JEEE C#CCN(c1nnc(COCC)n1Cc1cc(Cl)ccc1OC)[C@@H]1CCS(=O)(=O)C1 1300505138 XZJSFNJUWVCHHK-QGZVFWFLSA-N 452.964 2.152 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(OC)ccc2Br)n1CC1(O)CCOCC1 1300656778 CFOTUKMRAWNMPL-UHFFFAOYSA-N 479.375 2.344 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(CC)cc3)n2CCCN2CCC(O)CC2)CC1 1300718467 PGNZAOWIBGOXKI-UHFFFAOYSA-N 478.641 2.320 30 10 JEEE C=CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1301185392 BYNLZTMQUGKFOB-MRXNPFEDSA-N 456.572 2.172 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCN(c2ncc(F)cn2)CC1 1301515828 ZRICWCLHJLTOQJ-UHFFFAOYSA-N 486.939 2.068 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2CCc2n[nH]c(C)n2)C1 1301544617 ZAOLYELRSLMOJN-OAHLLOKOSA-N 461.368 2.497 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)CC1COC(C)(C)OC1 1301587809 AARUYTOTQMZOHA-FQEVSTJZSA-N 492.598 2.227 30 10 JEEE COCCN1C[C@H](Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)C[C@H](C)C#N)CC1=O 1301859883 FTKSSKVSHRSRKO-ZIAGYGMSSA-N 464.368 2.126 30 10 JEEE C=CCn1c(S)nc2cc(C(=O)N3CCN(c4ncccc4[N+](=O)[O-])CC3)ccc2c1=O 1306855741 KYMNKUSLCZRRGW-UHFFFAOYSA-N 452.496 2.137 30 10 JEEE CNS(=O)(=O)c1cccc(Cn2c(Cn3nc(C)cc3C)nnc2N2CCC[C@](C)(C#N)C2)c1 1315063590 IFVJKBCWXFVABZ-HSZRJFAPSA-N 482.614 2.226 30 10 JEEE C=CCN1C(=O)C(=O)N(CC(=O)Oc2ccc3c(c2)c(C(=O)OCC)c(C)n3CCC)C1=O 1349015163 WLWJZEBAWRNJTF-UHFFFAOYSA-N 455.467 2.419 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCC(C(F)(F)F)CC1 1358889862 HWWLXCGLWUCNRZ-OTBWCIGPSA-N 477.553 2.438 30 10 JEEE C#CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)[C@H](C)CS(C)(=O)=O 1358910561 UERNXBWKVYQGSP-QGZVFWFLSA-N 470.599 2.348 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCC[C@@H]1OC)[C@H]1CCS(=O)(=O)C1 1358958916 YJCKQISHQPWRFY-ACRUOGEOSA-N 453.568 2.259 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](CC)OC)[C@@H]1CCS(=O)(=O)C1 1358967272 HELXVRBLZSGJLK-NCXUSEDFSA-N 452.621 2.248 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2CCc2nc(C)c(C)s2)CC1 1359040506 XIGLTQCRYCVLLS-UHFFFAOYSA-N 485.658 2.478 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2Cc2ccc(NC(=O)N(C)C)cc2)CC1 1359043603 AQMFECVNAWWQDC-UHFFFAOYSA-N 474.569 2.381 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2cccc(CN(C)CC)c2)CC1 1359043681 DHFDCJZOZPVFKS-UHFFFAOYSA-N 474.613 2.144 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](C(=O)NC)C1 1359189617 PLNGOMLDJRHWSR-QZTJIDSGSA-N 492.621 2.140 30 10 JEEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1359197969 DSOGUHZITAXJTB-CYBMUJFWSA-N 461.514 2.480 30 10 JEEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCN1CCCO[C@@H](C)C1 1359233465 GMJZICVVXMRQKD-IBGZPJMESA-N 476.647 2.319 30 10 JEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCCNS(=O)(=O)c1ccccc1Cl 1467510687 JSYVFKKWQNZCRM-MRXNPFEDSA-N 457.980 2.431 30 10 JEEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCC(C)CC2)CC1=O 1504910090 FCWQTPPNRAZMHP-UHFFFAOYSA-N 465.602 2.234 30 10 JEEE CSC1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@@H](CNC(C)=O)C2)CCOCC1 1505186844 HUSFVKOPQVQMRK-FQEVSTJZSA-N 470.599 2.070 30 10 JEEE C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@@H]1CCCO[C@H]1C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1507625461 JLAQWLRHZHNXIM-XSDIEEQYSA-N 496.674 2.470 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1CC[S@](=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1507638370 DWYLLUIDBGQKSA-GEFUHLBYSA-N 476.668 2.237 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1507804646 LHYNPHNMTCGHPT-XTJBDQBJSA-N 481.645 2.282 30 10 JEEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1507847171 HIHRGSKSTQFOIK-FQEVSTJZSA-N 481.605 2.130 30 10 JEEE C=CCCOCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1507959129 NAOLHPCAWZDJDN-LJQANCHMSA-N 483.529 2.213 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCNC(=O)c1ccco1 1538966330 XUMZUOWEACNYMX-OAHLLOKOSA-N 454.918 2.342 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CC[C@@H](F)C2)c1 1539043944 XLTRZARREHPHEL-IPMKNSEASA-N 473.574 2.375 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1Cc1ncccc1C)[C@@H]1CCS(=O)(=O)C1 1539210251 AJCCURBVUXULEZ-QGZVFWFLSA-N 456.959 2.372 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1539238817 CLFUBQYFCADYKG-MSOLQXFVSA-N 476.002 2.426 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(OC(F)F)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1539242241 QIOXYJHPPIBBOG-VZCXRCSSSA-N 466.448 2.146 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccc(OC)cc1)N1CCCC1 1539323691 JGDOFEOYHYJQOJ-VWNXMTODSA-N 495.649 2.489 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)ccc3Br)n2CC(C)(C)O)CC1 1539470666 UVTOHEMCEAHGMO-UHFFFAOYSA-N 490.402 2.453 30 10 JEEE C=C(C)COCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1539744666 SJIQXFKKIBACCE-LJQANCHMSA-N 493.612 2.478 30 10 JEEE C=C(C)COCCn1c(N2CCO[C@H]([C@@H]3CCCO3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1539760043 SDLXNYBSQJXROL-SXWKCWPCSA-N 450.580 2.296 30 10 JEEE C=C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCN2CCN(C(C)=O)CC2)CC1 1539835731 IFGVPZBFIMBFDS-UHFFFAOYSA-N 454.575 2.283 30 10 JEEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)N1CCc2ccccc2C1)C1CC1 1540095591 SQJCWOLOFHKCHF-QZTJIDSGSA-N 458.632 2.490 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c(-c2cnccn2)nnc1N1CCN2C(=O)OC[C@@H]2C1)C(C)C 1540151340 GKDBSMAJOBVPQJ-ICSRJNTNSA-N 452.563 2.075 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1540874732 QBMDUCWTKGIJRO-FQEVSTJZSA-N 454.575 2.129 30 10 JEEE C#CC[C@]1(C(=O)N2CCC(CNC(=O)c3cnn(C)c3)CC2)CCCN1C(=O)OC(C)(C)C 1544723016 XWFPVDGLFFPQFQ-XMMPIXPASA-N 457.575 2.182 30 10 JEEE CC[C@@H](C)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CCCn1cc(CO)nn1 1545533076 BPKBCTGSATVZEQ-QGZVFWFLSA-N 467.553 2.303 30 10 JEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC(NC(=O)OCc3ccccc3)CC2)cc1 1557984366 PQACOPYGMOXUCY-UHFFFAOYSA-N 455.536 2.129 30 10 JEEE C#CCCNC(=O)c1cc(S(=O)(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)ccc1C 1585978429 FPNQQBJZAUIUSJ-UHFFFAOYSA-N 452.536 2.347 30 10 JEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(OC)c(F)c1 1587766493 VTAPKRPYDGPVEH-HXUWFJFHSA-N 479.578 2.199 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@H](OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1588035572 VJFPQNLDTNKRFS-RDJZCZTQSA-N 482.404 2.087 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Cl)n1C[C@]1(OC)CCOC1)[C@@H]1CCS(=O)(=O)C1 1588045530 MHLNUGOKNGYBBL-IIBYNOLFSA-N 464.975 2.031 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC(C)(C)C(=O)NCC 1588170378 FHZCICSWAXDLTM-HDICACEKSA-N 456.591 2.284 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1-n1nc(C)cc1C 1588181296 QUZLGZHASJGINP-FQEVSTJZSA-N 479.610 2.202 30 10 JEEE C#CCN(CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H]1CC(=O)N(CCOC)C1 1588263165 QPYSGLKSQSDQBX-IBGZPJMESA-N 452.559 2.102 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H]2CC(F)(F)CO2)CC1 1588898974 JFPZILGDEPSFNT-HXUWFJFHSA-N 489.523 2.352 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2C[C@@]2(C)CCCO2)CC1 1588961879 PTDINDOSTJVZST-RUZDIDTESA-N 451.571 2.435 30 10 JEEE C=C(C)COCCn1c(C(C)C)nnc1N1C[C@@H]2[C@H](C1)[C@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1593696376 OOJKNDOOWDXGFF-KZNAEPCWSA-N 483.635 2.121 30 10 JEEE C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)CC1COC(C)(C)OC1)c1ccccc1 1593781998 DFEGXXCYDVNPKT-KRWDZBQOSA-N 463.604 2.437 30 10 JEEE C=CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1594866489 DJXYXCSZHFWRAX-QHCPKHFHSA-N 460.579 2.196 30 10 JEEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)NCc1ccco1 1594963511 UKDJZMJSVVDIQH-QGZVFWFLSA-N 460.535 2.118 30 10 JEEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCc3oncc3C2)cc1 1595608648 VWPDETPODKQTRK-HNNXBMFYSA-N 458.544 2.052 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(N(C)C(C)=O)CC1 1595658574 GZGKASUITNJGBC-HXUWFJFHSA-N 452.559 2.289 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@](C)(C(N)=O)C1 1595760121 KTPKDNKHVZMNNA-JPYJTQIMSA-N 475.615 2.337 30 10 JEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1595885037 ZDRZSQONRVNDLQ-KRWDZBQOSA-N 471.649 2.014 30 10 JEEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](N2CCOCC2)C(F)(F)F)CCO1 1612914362 BWIPFGXAXVJRQJ-YJBOKZPZSA-N 450.465 2.305 30 10 JEEE C=C(C)C[C@@H](NS(=O)(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1)C(=O)OCC 1622506372 KUBJXNIVIJIGFA-GOSISDBHSA-N 458.602 2.346 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CCOCc1ccccc1)[C@H]1CCS(=O)(=O)C1 1689993300 AJPFGFCARXHFPC-QFIPXVFZSA-N 465.579 2.107 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCCn2ccnc21 1690019129 BEOPEXUQNDNAHP-PMACEKPBSA-N 479.585 2.433 30 10 JEEE C#CCN1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2C[C@@H](C)NC(=O)OC(C)(C)C)CC1 1690122450 RBJVIINXXKTOEH-QGZVFWFLSA-N 492.584 2.262 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2Cc2nc(C)c(C)s2)CC1 1690138099 RWWCFFBGTVWEFJ-INIZCTEOSA-N 460.604 2.090 30 10 JEEE C#CCSCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(C(=O)COC)CC1 1690159547 DPANYZQINLSCTC-UHFFFAOYSA-N 465.526 2.208 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2cnn(C)c2)CC1 1690236355 LUMBGLAUIRVQHR-GHTZIAJQSA-N 470.622 2.238 30 10 JEEE C=C(C)COCCn1c(-c2ccc(C)o2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1690304969 SXYDLVLUTSIUQH-UHFFFAOYSA-N 469.546 2.496 30 10 JEEE C=CCC(C)(C)Cn1c(N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)nnc1[C@]1(OCC)CCOC1 1690439747 OHTKWMSKNIASJM-RPWUZVMVSA-N 474.606 2.347 30 10 JEEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](O)(c2ccccc2F)C1 1690464923 NHMNGMCZABKXFY-NFBKMPQASA-N 493.605 2.204 30 10 JEEE C=CCCCCn1c(N2CCN(C(=O)[C@H]3CCCN3C)CC2)nnc1[C@@]1(OCC)CCOC1 1690468371 ZWVWGOPFENSTFB-HYBUGGRVSA-N 460.623 2.029 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1690662323 ZGSVNKFRUGMIMV-CABCVRRESA-N 464.412 2.267 30 10 JEEE C=CCNC(=O)Cn1c(N2CCCO[C@@H](c3ccccc3)C2)nnc1[C@]1(OCC)CCOC1 1690677035 LCRDFTKNRPATDZ-YKSBVNFPSA-N 455.559 2.200 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(Cl)c(OC)c2)C1 1690685882 FMCANBZJLWOSEF-GOEBONIOSA-N 469.995 2.380 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2c(Cl)cccc2OC)C1 1690686469 OSYYXZCQDASLNX-CABCVRRESA-N 469.995 2.380 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC(=O)Nc2ccc(F)cc2)C1 1690688558 XNXQQKMLUSTHTG-CVDCTZTESA-N 459.522 2.489 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1690724650 TWQXTCMBJRIMCU-LJQANCHMSA-N 494.706 2.037 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CCCN1CCCCC1=O 1692538104 FUUQJDMRAZPAIH-UHFFFAOYSA-N 492.628 2.013 30 10 JEEE CC(C)OCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1692619629 HXMJJWMNXVTBCI-INIZCTEOSA-N 496.037 2.165 30 10 JEEE CN1CCCC(C)(C)[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(NS(C)(=O)=O)CC1 1696878857 BNKRDPJDEOMEGZ-OAQYLSRUSA-N 485.658 2.455 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCC(C)CC2)nc1 1705495190 LUSXHHCOIRPEGH-QUCCMNQESA-N 456.616 2.318 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1CCN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1705562549 FFGIDBLZBNYFSY-FQEVSTJZSA-N 487.626 2.075 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC1(COC)CCCCC1)[C@H]1CCS(=O)(=O)C1 1705565245 HMBLWHZKIDJTLK-MOPGFXCFSA-N 450.605 2.006 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@H](C)CN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1705566063 LREJAQUKBKLOEF-HKBOAZHASA-N 463.648 2.268 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CC1CCN(C(C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1705567816 ADGPNHDXZBBBQU-QFIPXVFZSA-N 499.637 2.051 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CCc1ccc(C)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1705571280 YEHZGLJMQUQULH-JOCHJYFZSA-N 479.606 2.450 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCOC(F)F 1705595339 OQLRPNREJFQPSA-UHFFFAOYSA-N 450.515 2.330 30 10 JEEE C=CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1705947942 DBYIBHPTDZXMCU-JKSUJKDBSA-N 460.629 2.436 30 10 JEEE C#CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1722314567 PFSCRLMCPMEAIN-KRWDZBQOSA-N 463.542 2.272 30 10 JEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCc1ccc(SC)cc1)[C@H]1CCS(=O)(=O)C1 1722358448 HSJBHLKZQAQZPX-IBGZPJMESA-N 487.651 2.105 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H]1N(C)CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1722362031 RGFWMXPJYWKXJW-PMACEKPBSA-N 456.616 2.087 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC1(SC)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1722365354 DLTYDDWWXGPRQG-GOSISDBHSA-N 475.640 2.187 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCCNc1ccccn1)[C@@H]1CCS(=O)(=O)C1 1722368875 UDVARSHVFITCAI-LJQANCHMSA-N 465.583 2.172 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCOc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1722369109 YQBZCFDTKLDSCY-UXHICEINSA-N 458.584 2.186 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCc2ccccc21 1722397330 PKZDJBIUUHDOFX-NRFANRHFSA-N 451.596 2.096 30 10 JEEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCC(C)CC2)nc1 1722401844 CGNFRCPNJVJABU-GOSISDBHSA-N 459.620 2.027 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@H](c1c(F)cccc1F)N(C)C 1722419035 LSAIYJMOYHJRTO-LJQANCHMSA-N 460.529 2.181 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2CCNC(=O)c2ccco2)CC1 1722445439 QCORXIKGTZJQSO-UHFFFAOYSA-N 464.501 2.073 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@H](C2CC2)O[C@H](C)C1 1722691216 PAQBNSQTRZBKIE-DNVCBOLYSA-N 472.977 2.167 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccccc2CN2CCC(O)CC2)C1 1722709597 TWWKACLQKLQJRG-HSZRJFAPSA-N 482.629 2.203 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)CC1CCC1 1722728139 OMOOWYRHEADYSG-UHFFFAOYSA-N 459.620 2.289 30 10 JEEE COc1ccc(-c2nnc(N(C)C[C@H](C)C#N)n2CCS(C)(=O)=O)cc1Br 1730049194 FRIKTVISIFUAMY-GFCCVEGCSA-N 456.366 2.357 30 10 JEEE COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCNS(=O)(=O)c2ccc(C)s2)cc1 1730095679 HUARPQLOODXSOV-SFHVURJKSA-N 488.595 2.031 30 10 JEEE COCC1(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCCN(S(C)(=O)=O)CC2)CCC1 1730503990 HZWVFYTVUNKXAY-UHFFFAOYSA-N 472.615 2.495 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCNC(=O)c1ccco1 1740551172 SRQUEURSSLBNCA-INIZCTEOSA-N 459.510 2.156 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2c(C)sc(C)c2Br)CC1 1740694721 RQUUOPCLWRQMDR-INIZCTEOSA-N 477.432 2.474 30 10 JEEE C#CCN1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(C)cc2OCCOCC)CC1 1740695321 NFVAYPDEMHMARC-UHFFFAOYSA-N 461.570 2.262 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCC[C@H]2OC)CC1 1740708043 AEAKRWJBOXCILI-RBUKOAKNSA-N 484.626 2.051 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1740765298 TXMQACOKORDXBL-VWPQPMDRSA-N 460.623 2.101 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](c2cccs2)N(C)C)CC1 1740840356 WPTTXLBAYOYUGK-OALUTQOASA-N 494.687 2.378 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccnc(N2CCCCC2)c1 1741131973 IECYUWQHRKDRJW-MJGOQNOKSA-N 457.604 2.210 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@](C)(O)CCC)[C@H]1CCS(=O)(=O)C1 1748804439 HSZXLPKZDQHSRY-HNAYVOBHSA-N 484.420 2.214 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(CC)CCOCC1)[C@H]1CCS(=O)(=O)C1 1748805811 WMYHADZOIMRTPD-RDPSFJRHSA-N 494.658 2.152 30 10 JEEE C#CCN(c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC(=O)N(C)CC)[C@@H]1CCS(=O)(=O)C1 1748808820 ODTIMXNEHXEULG-HXUWFJFHSA-N 471.627 2.348 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1cccc(C(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 1748811688 KFHGAROPRHNQEY-GOSISDBHSA-N 478.500 2.372 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCc1ccc(F)cc1C)[C@@H]1CCS(=O)(=O)C1 1748824122 JMEJGPKSVKMHMJ-NNWRFLSQSA-N 490.601 2.319 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(C)n2)n1Cc1ccccc1S(=O)(=O)N(C)C 1748958712 GWHCBCODUWVHRO-UHFFFAOYSA-N 468.583 2.033 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@](C)(O)CC)CC1 1749019558 ZHPPTFIPRSHQTP-DFBJGRDBSA-N 488.633 2.477 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(Cl)cc2OC)CC1 1749303617 LZVSWFFXMCHSLF-LJQANCHMSA-N 482.006 2.478 30 10 JEEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(C1)OCc1ccccc12 1749445650 UQOZQLDRFDXMKH-HTAPYJJXSA-N 461.588 2.117 30 10 JEEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)[C@H](C)c1cccc(O)c1 1749667279 WYBATASLDJHEPN-MRXNPFEDSA-N 483.598 2.443 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC(=O)N(C)C[C@H]1C 1749677539 CBGYUWRTABHWMC-QGZVFWFLSA-N 454.575 2.124 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@H]1c1nncn1C 1749677744 JJUWDSPTJLYYBE-IBGZPJMESA-N 450.547 2.246 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1749680955 UXYZFADCZGCSCE-AXHZCLLHSA-N 455.559 2.240 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(F)cc3)n2Cc2ccc(C(N)=O)nc2)C1 1749718799 IQUSYNXBKAFTTP-IBGZPJMESA-N 452.490 2.320 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(Cc2cccc(C)c2)CC1 1749734215 FYZKRVQVAXBFQP-OAQYLSRUSA-N 459.616 2.013 30 10 JEEE C[C@@](O)(Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C#N)C1)c1ccco1 1751237019 BBYXMHXTNDVDEB-HTAPYJJXSA-N 470.917 2.091 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CC1(N2CCCC2)CCOCC1 1760209060 TVKRLISQAYTLOI-UHFFFAOYSA-N 461.570 2.033 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CCN2CCC[C@@H](C)C2)CC1 1760255189 VTTFGWQLRQPENZ-HXUWFJFHSA-N 482.629 2.458 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C3(c4ccccc4)CCC3)n2CC(=O)NCC(F)F)CC1 1760265548 DKDLKNZTIHXQTG-UHFFFAOYSA-N 484.551 2.095 30 10 JEEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCCN(c2nccc(OCC)n2)CC1 1760282125 WIKXBXRJOKCQJI-LJQANCHMSA-N 471.631 2.444 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1760323867 HMLSUPSATQCUGO-XLIONFOSSA-N 455.625 2.046 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2C[C@H](OC)[C@H](OC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1760327891 NTSGRZDAZNOKLI-XRYLAESTSA-N 450.580 2.150 30 10 JEEE C=C(C)COCCn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1760358056 MRZSOAQRVQSJGI-OAQYLSRUSA-N 457.550 2.428 30 10 JEEE C=CCC(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)COC)CC1 1760415056 NDCQQDWDAPUYEG-UHFFFAOYSA-N 460.604 2.167 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC(CC(=O)NC)CC2)nnc1C1(c2ccccc2)CCC1 1760528980 SJFUVAIQRXJICJ-UHFFFAOYSA-N 450.587 2.403 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CC(=O)N(C)[C@@H](C)C1 1760550963 OWLXIMWQOYSUDD-CVEARBPZSA-N 477.656 2.399 30 10 JEEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(=O)c2ccccc2)CC1 1760560020 NFBXFCUIFDZUOQ-SFHVURJKSA-N 492.671 2.160 30 10 JEEE CCN(CC)[C@@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1764904237 GLDAHUDTBFWGPC-PMACEKPBSA-N 478.645 2.336 30 10 JEEE CCO[C@@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCOc2ncccc2Cl)CCOC1 1767438160 DGTXRTYHTZQSBX-PMACEKPBSA-N 450.902 2.500 30 10 JEEE N#CCC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCNc2nccc(C(F)(F)F)n2)CC1 1771539667 HCGQPRVWAVDGEJ-AWEZNQCLSA-N 463.468 2.280 30 10 JEEE O=C(C1=C(O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccccc1C(=O)O)c1ccc2c(c1)OCCO2 1862608474 OZGBVYOCTUUCEF-JOCHJYFZSA-N 494.500 2.067 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCc2ccccc2)cn1CCN1CCOCC1 1870395483 JSVKKQMVSOORTR-UHFFFAOYSA-N 480.609 2.050 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)cn1C[C@H](C)O 1870397812 UOBYMMWPQPLSLE-KRWDZBQOSA-N 456.499 2.329 30 10 JEEE C=CCn1cc(OCC(=O)NC[C@@H]2CCCO2)c(=O)cc1CN1CCN(Cc2ccccc2)CC1 1870542492 VEHJGTOUSDIWRD-DEOSSOPVSA-N 480.609 2.026 30 10 JEEE O=C(O)c1[nH]c2ccccc2c1/C=N/n1c(S)nnc(Cc2ccccc2[N+](=O)[O-])c1=O 1873495639 XDANQLGUTCNMOL-UFFVCSGVSA-N 450.436 2.488 30 10 JEEE COc1cc(C=CC(=O)OCC(=O)N2CCN(C(=O)c3cccs3)CC2)ccc1OCC#N 2040475452 JKZZSKLFINQSIA-UHFFFAOYSA-N 469.519 2.200 30 10 JEEE CN[C@H](C#Cc1ccccc1Br)[C@H](NC(=O)OC(C)(C)C)C1CS(=O)(=O)C1 2235727579 PRPLEQPDCXPVQH-IAGOWNOFSA-N 457.390 2.327 30 10 JEEE Cn1nc(C(=O)NC(C)(C)CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2255652852 AFCLAEOMNWVUGK-UHFFFAOYSA-N 456.780 2.406 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H]1CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2255753665 RRJZZXPXVIRIBY-KBPBESRZSA-N 472.438 2.486 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)cs1 2256618564 RGUZEQKWOGAXGP-ZBFHGGJFSA-N 452.382 2.034 30 10 JEEE Cc1cc(CNC(=O)[C@@H](CO)CNC(=O)OC(C)(C)C)sc1B1OC(C)(C)C(C)(C)O1 2256678415 NBPUXAMYMCSVCN-CQSZACIVSA-N 454.398 2.105 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)s1 2267111753 XCGWGAHUOBGOPD-ZBFHGGJFSA-N 466.409 2.313 30 10 JEEE CO[C@@H]1[C@H](OC)CN(C(=O)OC(C)(C)C)[C@@H]1CNC(=O)[C@@H]1C[C@@H]1B1OC(C)(C)C(C)(C)O1 2267563026 KBBOAHXUADLZTA-JJTUDDRGSA-N 454.373 2.234 30 10 JEEE CC(C)(C)OC(=O)NCCCCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(O)cc1O 2267760580 QSZJFWWLKPOPJH-UHFFFAOYSA-N 450.341 2.432 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)sc1CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C 2268636901 IJZOBXITWVEJSI-CABCVRRESA-N 466.409 2.342 30 10 JEEE Cn1cc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)CC23CC3)nc1B1OC(C)(C)C(C)(C)O1 2282043156 IENHXUAQGGVSMY-INIZCTEOSA-N 460.384 2.239 30 10 JEEE CC(C)(C)OC(=O)N1CC(N(C(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)[C@H]2CCOC2)C1 2282055132 ZZNMBBUSZRNINK-HNNXBMFYSA-N 462.352 2.429 30 10 JEEE Cc1cc(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)ccc1B1OC(C)(C)C(C)(C)O1 2282114294 YWHFODBOOAMROG-MJGOQNOKSA-N 460.380 2.252 30 10 JEEE CC(C)(C)OC(=O)N1CC([C@@H]2CCN(C(=O)c3ncncc3B3OC(C)(C)C(C)(C)O3)C2)C1 2282170929 DCFTULPSHNMVJJ-OAHLLOKOSA-N 458.368 2.105 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@](CO)(NC(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282181114 BJMQHNFFBWRCKU-DEOSSOPVSA-N 460.380 2.478 30 10 JEEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)[C@@H]2CC[C@@H]21 2282299833 XAPQJXOSZUIJRZ-ZWKOTPCHSA-N 479.408 2.153 30 10 JEEE C[C@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1F)C1(O)CN(C(=O)OC(C)(C)C)C1 2282396336 YIDWMGKONUMBAZ-AWEZNQCLSA-N 464.343 2.225 30 10 JEEE CC1(C)OB(c2cscc2S(=O)(=O)NC[C@]2(O)CCCN(Cc3ccccc3)C2)OC1(C)C 2282413811 JWIQNHAVHBZLNE-HSZRJFAPSA-N 492.472 2.353 30 10 JEEE CC(C)(C)OC(=O)NCc1nc(=NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)s[nH]1 2282537019 KFJBSRCZCOWSEO-UHFFFAOYSA-N 479.343 2.070 30 10 JEEE Cn1cc(C(=O)N2C[C@H](NC(=O)OC(C)(C)C)CC23CCC3)nc1B1OC(C)(C)C(C)(C)O1 2282542484 FEEKQCKMLPRJFR-OAHLLOKOSA-N 460.384 2.381 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC1(F)CC(NC(=O)OC(C)(C)C)C1 2282605520 IEGQVPRGQNJTJC-UHFFFAOYSA-N 466.363 2.327 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1O 2282672977 PJUFNWCPVHRFPI-OALUTQOASA-N 460.380 2.394 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1(C)C 2283071650 HMFYLJDFSDPNCH-CABCVRRESA-N 460.384 2.445 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1CCc2cc(B3OC(C)(C)C(C)(C)O3)ccc21 2283948636 PGTOTPFBSBBFNL-PKOBYXMFSA-N 458.364 2.245 30 10 JEEE COC(=O)[C@H](CS(=O)(=O)Nc1ccc(Cl)c(C#N)c1)NC(=O)OCc1ccccc1 2286011417 CUEXKLRKPJWZDS-KRWDZBQOSA-N 451.888 2.421 30 10 JEEE Cc1ccc(C(=O)N(C)CC2(O)CN(C(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2287303685 MIJCPWULQJOIES-UHFFFAOYSA-N 460.380 2.348 30 10 JEEE C=CCn1c(C(=O)NCCNC(C)=O)cc2c(N3CCN(CC=Cc4ccccc4)CC3)ncnc21 2324644234 MRBYFXDZBNSNNF-UHFFFAOYSA-N 487.608 2.319 30 10 JEEE COc1ccc(OC)c(C=Nn2c(SCC(N)=O)nnc2[C@@H]2CC(=O)N(Cc3ccccc3)C2)c1 2325918152 JDNAPIQFLVRRLA-GOSISDBHSA-N 494.577 2.271 30 10 JEEE C=CCC1(N[C@]2(C(=O)O)COCCN(C(=O)OC(C)(C)C)C2)CN(C(=O)OC(C)(C)C)C1 2326616879 POKMGPHIBPCCLO-QFIPXVFZSA-N 455.552 2.232 30 10 JEEE Cn1cc(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 2359278114 WTSWSUJYVVZUDW-XJNFMUPTSA-N 460.384 2.141 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1[C@@H]2CC[C@H]1N(S(=O)(=O)c1cncc(B3OC(C)(C)C(C)(C)O3)c1)C2 2359283051 DCMHHYPBGJZFNF-OLMNPRSZSA-N 479.408 2.057 30 10 JEEE C=C[C@@](C)(O)CN1CCN(Cc2nc(C(=O)N3CCN(c4ccccc4CC)CC3)co2)CC1 34677905 BRAUWEGDISHZHI-AREMUKBSSA-N 467.614 2.254 30 10 JEEE COc1cc(OC)c(OC)cc1/C=C1\Oc2c(CN3CCN(CCO)CC3)c(O)cc(C)c2C1=O 41514065 HUHJGHCFZWJVRH-QRVIBDJDSA-N 484.549 2.453 30 10 JEEE COc1cc(CNC(=O)CSc2n[nH]c(N/N=C/c3c(C)nn(C)c3C)n2)cc(OC)c1 59309832 IZRFYUWMVAEBGR-LSHDLFTRSA-N 458.548 2.027 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@@H]1CCCN(c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 215690155 KSYCKQKPHZMJKU-FUHWJXTLSA-N 489.426 2.116 30 10 JEEE Cn1c(O)nc(=O)c2c1nc(NN=C/C=C\c1ccccc1)n2C[C@@H](O)COc1ccccc1 254862373 ROSYVEXWZIQEIQ-JFMADYOFSA-N 460.494 2.387 30 10 JEEE C#CCN(C(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2C)cc1)[C@@H]1CCS(=O)(=O)C1 729330689 HQADBCOMZRXMEA-LJQANCHMSA-N 464.540 2.197 30 10 JEEE COc1cc(C=NNc2nnc(SCC(=O)OC3CCCC3)n2N)cc(OC)c1OC 1083984015 DJADCFFPXBDKTE-UHFFFAOYSA-N 450.521 2.042 30 10 JEEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C1(S(=O)(=O)c2ccccc2)CCOCC1 1127888519 APHFYNVIFLAUGU-UHFFFAOYSA-N 451.508 2.409 30 10 JEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](CC(=O)OCC)c2ccc(F)cc2F)cc1 1155584885 GYKTWRHJXPQUTO-LJQANCHMSA-N 450.463 2.301 30 10 JEEE C#CC[C@H](NC(=O)[C@H](Cc1cn(Cc2ccccc2)cn1)NC(=O)OC(C)(C)C)C(=O)OC 1161364496 DMAAQBMVLAGJOE-PMACEKPBSA-N 454.527 2.048 30 10 JEEE C#CCN(C(=O)NCc1c(F)c(F)c(Br)c(F)c1F)[C@H]1CCS(=O)(=O)C1 1230303618 BYKZFPHXECJNEQ-QMMMGPOBSA-N 457.243 2.337 30 10 JEEE C#CCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1286356286 FILXSRFQRQEVLB-FQEVSTJZSA-N 450.543 2.360 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cn(CCCCC)nc1C 1286429602 CRDUPIVAWSDHAJ-FQEVSTJZSA-N 456.616 2.387 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(C3CCCC3)n2C[C@@H]2CCCCS2(=O)=O)n1 1286471185 JTZZJVQQHVIWQX-NRFANRHFSA-N 474.631 2.386 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(OCC(N)=O)CC1 1286557677 JWBVXSQHLWBFSW-JPYJTQIMSA-N 457.550 2.460 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccc3C)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1286808778 XSOWDZWUQZLGMF-PZJWPPBQSA-N 459.616 2.240 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCO[C@H](C(F)(F)F)C1 1286820251 IBYVPPXAXUEYHS-SJORKVTESA-N 488.488 2.159 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCCN(c2ccc(OC)cc2)CC1 1286820678 PAAFYTWNMJEDGJ-LJQANCHMSA-N 475.615 2.108 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 1286823898 ZWLZFXSWZIXZOS-IEBWSBKVSA-N 490.630 2.214 30 10 JEEE CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H]3Cc4ccc(C#N)cc4C3)CC2)cc1 1288143327 IUBJBJFZVUTILL-QFIPXVFZSA-N 451.548 2.445 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1C[C@]1(O)CCN(C)C1 1292032410 BCNPQEJFILMDRR-SANMLTNESA-N 477.613 2.428 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1ccc(COC)o1 1300409937 LFJUPNZOBJHBNW-ICSRJNTNSA-N 477.587 2.105 30 10 JEEE C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@@H]1C(F)(F)C12CCC2)[C@@H]1CCS(=O)(=O)C1 1300481373 ABOXJVQNVQGFCN-BBWFWOEESA-N 472.558 2.064 30 10 JEEE C#CCN(c1nnc(-c2cc3ccccc3o2)n1CCCC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1300481882 CHGIUWSXVXOYOW-GOSISDBHSA-N 469.567 2.186 30 10 JEEE C#CCN(c1nnc(-c2ccc(OCC)c(OC)c2)n1CC1=CCCOC1)[C@H]1CCS(=O)(=O)C1 1300489928 WESWCSKDHYZACB-FQEVSTJZSA-N 486.594 2.326 30 10 JEEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@@H](CC)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1300501758 NJBBGXIVBACKRJ-CTNGQTDRSA-N 469.611 2.221 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CCSC1(C)C)[C@@H]1CCS(=O)(=O)C1 1300506198 PAKVNBLNSKQFOJ-MANSERQUSA-N 482.672 2.161 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1COc2ccccc2O1 1300537721 JMDXGAWXUBOXOS-UXHICEINSA-N 493.564 2.499 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(C)(C)CN(C)C 1300671174 DMOPVWIJVCNCBN-IBGZPJMESA-N 478.638 2.260 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCCOC3)n2Cc2c(C)nn(C)c2C)n1 1300681537 SXURCTPSNZYCDT-HXUWFJFHSA-N 466.590 2.053 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H]2CCCOC2)CC1 1300682440 MCGMWWJDVCQPSO-IBGZPJMESA-N 456.978 2.043 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2CCS(=O)(=O)C(C)(C)C)CC1 1300708301 QPWWSRRIQJNWSS-UHFFFAOYSA-N 459.616 2.134 30 10 JEEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1300766416 CABXMSQTWWEFAD-UHFFFAOYSA-N 450.616 2.076 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1CCc1ccc(S(C)(=O)=O)cc1 1300778731 GOQDHRMVULMFIQ-HSZRJFAPSA-N 455.584 2.152 30 10 JEEE C=CC1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1301109014 FFEXRVCJUDKERV-PPMXAFMFSA-N 470.574 2.248 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC(CC(=O)N(C)C)CC1 1301482728 BESUUYJITBKTMW-UHFFFAOYSA-N 492.422 2.043 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccc(C(N)=O)cc2)C1 1301543841 PWXKQUGNBLPZBJ-GBXCKJPGSA-N 455.559 2.247 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)ccc2C)nnc1N1CCC2(CC1)COC(=O)N2 1301593844 VIEGPCMXKPTEBJ-UHFFFAOYSA-N 489.598 2.154 30 10 JEEE C#CCN(C(=O)Nc1c(F)cc(C)cc1I)[C@H]1CCS(=O)(=O)C1 1310472893 VHIKMEQEFDQNET-NSHDSACASA-N 450.273 2.393 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCc1nnc2n1CCCCC2 1358876375 IFKXPCALWKCDNK-SFHVURJKSA-N 496.641 2.214 30 10 JEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C(C)C)N1CCOCC1 1358949703 KOBFKVNQRUAIIP-PMACEKPBSA-N 476.622 2.013 30 10 JEEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CCc1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 1358957520 VPESFMJOCUNRLQ-WMZHIEFXSA-N 493.029 2.453 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCN(C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1358961884 GSRLWZMVCYMQPC-FCHUYYIVSA-N 471.627 2.278 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCC(=O)NC(C)C 1358976561 IRYGUPFXUKCMNJ-UHFFFAOYSA-N 459.554 2.053 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2Cc2ccc(C)n(C)c2=O)CC1 1359043371 RLFVRAZCSSJMHT-UHFFFAOYSA-N 458.566 2.275 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2C[C@H]2CC(=O)N(c3ccccc3)C2)CC1 1359045367 FECCQTOFVNLOPJ-FQEVSTJZSA-N 462.598 2.496 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)c(OC)c1OC 1359070291 JTLDURBLIBTLFN-GAJHUEQPSA-N 474.583 2.246 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(N(C)C(C)=O)CC1 1359091394 MSFGHQDRRYGCDO-NQIIRXRSSA-N 467.574 2.354 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ncnn1C(C)(C)C 1359257838 XKGMXJQJQAVBOA-QGZVFWFLSA-N 472.619 2.476 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1359298666 IJXYQTAIWGLXJC-UHFFFAOYSA-N 456.554 2.145 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCN2CCN(C(C)=O)CC2)C1 1359315389 UBLRLMCFNFWMJS-OAQYLSRUSA-N 490.555 2.492 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1359329232 CGFQYALLPZSCJW-HZPDHXFCSA-N 470.910 2.453 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N(C)C[C@H]1COc2ccccc2O1 1359331639 DXPTYGPTRNRBPQ-FXAWDEMLSA-N 462.572 2.397 30 10 JEEE C#CCNC(=O)CN1CCN(C(=O)c2c(-c3ccc(Br)cc3)noc2CC)CC1 1449062987 PDQHJYSODAVUEJ-UHFFFAOYSA-N 459.344 2.174 30 10 JEEE C#CCN(C)CCCNC(=O)[C@@H](Cc1cccc(Br)c1)[C@H]1CCS(=O)(=O)C1 1450484873 IOSQRJALRCIGSN-HKUYNNGSSA-N 455.418 2.114 30 10 JEEE C#C[C@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1)C1CCOCC1 1470311205 BXTILTCKXLYQQA-FQEVSTJZSA-N 456.520 2.417 30 10 JEEE C=CCNC(=O)Nc1ccc(NC(=O)Nc2cnn(CC(=O)N3C[C@H](C)O[C@@H](C)C3)c2)cc1 1476235253 JPHOXPNJKCMFIR-HOTGVXAUSA-N 455.519 2.470 30 10 JEEE CS(=O)(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2CCOCC2)CC1 1505126551 FKCMSQCXFVFJKD-UHFFFAOYSA-N 459.572 2.169 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCCO3)n2CCCN2CCOCC2)c1 1507550108 FUOPPSXEWXPQNI-JOCHJYFZSA-N 466.586 2.298 30 10 JEEE C#CCCCCn1c(COc2ccc(C#N)cc2)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1507571016 NXGLNCIUHCLSEJ-FQEVSTJZSA-N 451.552 2.159 30 10 JEEE C#CCCCn1c(CC2CCCC2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1507595260 YTQRRBFIFMPHTH-UHFFFAOYSA-N 454.619 2.365 30 10 JEEE C#CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1CCS(=O)(=O)CC1 1507612448 UPIPYJZKRLVNBC-GOSISDBHSA-N 465.620 2.287 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1CCC(=O)NC(C)C 1507704342 YAWDRISUVIFAPD-UHFFFAOYSA-N 451.369 2.047 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1C[C@H](N1CCOCC1)C(F)(F)F 1507704558 GOTMAQKKBNMRQF-INIZCTEOSA-N 472.899 2.343 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2CCSC2)CC1 1507734433 NBHOPVMCDBGYJE-KRWDZBQOSA-N 487.651 2.068 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCCCC(F)(F)C2)CC1 1507738305 MNCCFCLDQNSPFJ-AEFFLSMTSA-N 462.545 2.411 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H]2CCC[C@H](O)C2)CC1 1507740370 RNJKIUIHXJQCOW-XLIONFOSSA-N 456.616 2.151 30 10 JEEE C=C(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1507829755 FDURZOFQSNMTJZ-MRXNPFEDSA-N 456.572 2.264 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCO[C@H](c2noc(C)n2)C1 1508074052 MCBPZEFOTNRRCN-KDOFPFPSSA-N 471.493 2.129 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1508095249 UIJFKMDHRHBSFR-XJKSGUPXSA-N 457.428 2.454 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC[C@@H](OCC)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1508097675 JNWASWYBRMJSGA-FGTMMUONSA-N 462.595 2.356 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1508103883 FKFSDSPQXMBALL-QHCPKHFHSA-N 473.599 2.044 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1508137263 LWQJYGUSOGDTCH-WIYYLYMNSA-N 477.606 2.232 30 10 JEEE CC1CCN(CCn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@H](C)CS(C)(=O)=O)CC1 1512351827 AGPUCGGXRPFHQT-LJQANCHMSA-N 474.631 2.330 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCn1cnc2ccccc21 1513406452 BIRMQJKHIWMMOZ-SFHVURJKSA-N 450.547 2.365 30 10 JEEE CCCn1nc(-c2nnc(N(C)C[C@H](C)C#N)n2CC2CCS(=O)(=O)CC2)c2ccccc2c1=O 1514983213 BYXZIHRRQWTRKW-QGZVFWFLSA-N 497.625 2.486 30 10 JEEE Cc1sc(=O)n(CC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)c1-c1ccc(F)cc1 1517927985 GNXFIWNCNCIRJX-CQSZACIVSA-N 452.515 2.423 30 10 JEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(CC)Cc1nc(O)c2sccc2n1 1539094271 NFJMJWHILNMEOI-ZDUSSCGKSA-N 463.589 2.039 30 10 JEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@](C)(O)c1ccco1 1539237764 KNGUSIRTPQQVGH-HSZRJFAPSA-N 466.567 2.120 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCc2ccc(OC)cc2OC)CC1 1539482608 VQGULWYTKJYADT-NRFANRHFSA-N 481.597 2.398 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](CNC(=O)CCC)C1 1539629389 WVJWKEVNXDQDTK-IWQHBPENSA-N 458.607 2.343 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(OCCc2ccccc2)CC1 1540861998 OBADXRPRNBIAOR-UHFFFAOYSA-N 466.586 2.044 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1540874877 UWGPTBWKHBNFEY-PXNSSMCTSA-N 466.586 2.172 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C)C1 1540881129 ZDTNBTLODUVLLE-GHTZIAJQSA-N 475.615 2.460 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(Cc2c(CC)nn(C)c2Cl)CC1 1540901347 ANNOBKMKOYPCEG-UHFFFAOYSA-N 482.054 2.028 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC[C@H](CN2CCCCCC2)C1 1540901402 CAHUXIZCFCTDSM-HXUWFJFHSA-N 473.647 2.428 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CC1CCN(Cc2ccccc2)CC1 1541678689 GXVFFNWNLGRWPS-OAQYLSRUSA-N 451.575 2.057 30 10 JEEE COC[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)C1 1555361761 FLRZYDDMCXGYIH-RBBKRZOGSA-N 465.602 2.232 30 10 JEEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1587718480 HGXNEYDOZNWOAU-FQEVSTJZSA-N 499.641 2.039 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1588069065 GPCPQVMZAWSSOA-JOCHJYFZSA-N 466.611 2.318 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@]1(O)CCSC1 1588134284 VZFOCJHUHHILGP-MBSDFSHPSA-N 459.616 2.333 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(CN2CCCC2)cc1 1588559211 DURRUMVPSJBBJS-UHFFFAOYSA-N 450.587 2.244 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCC1CCOCC1 1588647483 VSUUCBLHWJJQMD-FQEVSTJZSA-N 477.606 2.489 30 10 JEEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1589394423 FMAYXJBFEGIDJR-CYBMUJFWSA-N 455.357 2.195 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1 1589394659 LSUCCCCDBDUANJ-KXBFYZLASA-N 450.312 2.375 30 10 JEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 1594813356 RFLOBCSSFHKQNG-MSOLQXFVSA-N 483.635 2.124 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1595501619 ZWXUYXWLDUHPFY-PXNSSMCTSA-N 458.994 2.448 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1 1595544843 MYGXNBRHUBUWNA-FHWLQOOXSA-N 474.606 2.310 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1595811949 IEUDNCBJQIPLBB-LJQANCHMSA-N 470.599 2.206 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CCc1cccnc1 1611700612 GELNUPHFMVELEP-LJQANCHMSA-N 494.625 2.114 30 10 JEEE COC(=O)c1cc(S(=O)(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)c(Br)o1 1654835883 GGIRWBZXLCEANF-CQSZACIVSA-N 455.286 2.463 30 10 JEEE N#Cc1c(N)sc2c1CCN(CCC(=O)Nc1cccc(S(=O)(=O)N3CCCC3)c1)C2 1655797038 HCOOYGANKHUULX-UHFFFAOYSA-N 459.597 2.373 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CCN(CC)C2CC2)c1 1689868255 AVOFEXFELGLJGU-UHFFFAOYSA-N 463.586 2.055 30 10 JEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1689916764 WDDCGHZQWOXEQZ-IBGZPJMESA-N 471.627 2.452 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(Br)c2)n1CCOCC)[C@@H]1CCS(=O)(=O)C1 1689984711 TXMPGEDQDXJGLH-MRXNPFEDSA-N 497.415 2.379 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CCCCN1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1689993802 LTNYTKMXEFCYEV-QHCPKHFHSA-N 484.670 2.403 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CC1CC(F)(F)C1)[C@@H]1CCS(=O)(=O)C1 1689996719 MZGPDBVTLURVDF-GOSISDBHSA-N 475.521 2.401 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)on2)n1CCN1CCOC[C@H]1C 1690100833 DSMYJGDIJNCSFO-LJQANCHMSA-N 450.543 2.407 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2cccc(CO)c2)CC1 1690113963 YYIYOGBVPZXUFV-UHFFFAOYSA-N 455.360 2.332 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2ccc(F)cn2)CC1 1690135365 UYXPERDOMNFMCX-MSEWRSJXSA-N 469.565 2.386 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCCOCC(F)F)CC1 1690144210 PNUCJKRWSQQNBN-UHFFFAOYSA-N 499.522 2.232 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2CCC2(O)CCC2)CC1 1690152171 ATLJJGYANDEULC-UHFFFAOYSA-N 451.571 2.436 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1690194889 BIHPKTCCBZRJHL-QGDZQMKYSA-N 486.661 2.254 30 10 JEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 1690472602 RBOOVBHYGSCXOW-INIZCTEOSA-N 466.583 2.329 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 1690665885 SKBJCEMBCSHHAN-HXUWFJFHSA-N 481.988 2.151 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(Cc3cn4ccccc4n3)n2CC(C)(C)C(=O)NCC)C1 1690709808 LGTGRKNJPUPLQB-LJQANCHMSA-N 451.575 2.460 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1690722412 IJZOODUJZINSHQ-AOMKIAJQSA-N 474.587 2.044 30 10 JEEE CC(C)CCN(CCC#N)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccoc1 1692346293 AMLDXRCTHUQTSB-GOSISDBHSA-N 450.565 2.018 30 10 JEEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC(=O)N(C)C 1692818538 ALJLGKRLYORUSB-DLBZAZTESA-N 493.547 2.022 30 10 JEEE CCCC(=O)Nc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@@H](C#N)C2)cc1 1695001209 HYZPORLLTDSXQZ-IBGZPJMESA-N 451.531 2.030 30 10 JEEE COCCC1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@H](CNC(C)=O)C2)CCC1 1697941311 CTVZGPIGQYCVAO-OAQYLSRUSA-N 452.559 2.365 30 10 JEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CC)Cc1nc(O)c2ccccc2n1 1705532653 PURLTBMWYXDZRU-INIZCTEOSA-N 454.556 2.269 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCOc1ccc(F)c(F)c1)[C@H]1CCS(=O)(=O)C1 1705564173 AUMUPCNJZJLGIY-SJORKVTESA-N 480.537 2.156 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1CC(C)(C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 1705564226 MRXMGSVHUNMSPH-IBGZPJMESA-N 458.632 2.032 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Cl)n1CCS(=O)(=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1705564441 OJHAEPLLPMJLGO-INIZCTEOSA-N 499.058 2.439 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCN(C)c2ccccc2)CC1 1705635305 VXNHXLGFPNNDKS-VWLOTQADSA-N 452.603 2.210 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCc2ccc(C)c(OC)c2)CC1 1705648918 CYJSRKLDUOTPMC-UHFFFAOYSA-N 461.570 2.204 30 10 JEEE C=C(C)COCCn1c(N2CCN(c3cccnn3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1705740235 GEFVMEBXZSQYQD-HSZRJFAPSA-N 457.579 2.028 30 10 JEEE C=CC[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1)c1ccccc1 1705798680 YTPUAXKPVXXBOL-FPOVZHCZSA-N 486.642 2.231 30 10 JEEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1705893999 KGQTXFBAWPBZBP-HJPURHCSSA-N 473.578 2.351 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCCC[C@@H](SC)C2)nnc1[C@]1(OCC)CCOC1 1705938819 JYVVEFXQEGLFGC-XLIONFOSSA-N 458.650 2.253 30 10 JEEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCCN(C(=O)C2CC2)CC1 1705940061 UNERRMXXWFUHLJ-UHFFFAOYSA-N 455.588 2.293 30 10 JEEE CC[C@H](C)[C@](C)(O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@](F)(C#N)C1 1708339290 GLQRXIBQZGAISW-KNXBSLHKSA-N 478.594 2.434 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1CC(=O)Nc1c(C)cccc1C)[C@@H]1CCS(=O)(=O)C1 1722359798 BFMLBBITUYHKKT-HXUWFJFHSA-N 478.578 2.222 30 10 JEEE C#CCN(c1nnc([C@@H](C)CC)n1CC(C)(C)N1CCC(OC)CC1)[C@H]1CCS(=O)(=O)C1 1722366780 SMCTWRUDNOULGX-OALUTQOASA-N 465.664 2.308 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1CCc1ccc(OC)c(Br)c1 1722381201 KQBZHQNMZNLDKJ-QGZVFWFLSA-N 456.344 2.316 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1722434094 JNOJQOWTBDZNMD-MRXNPFEDSA-N 497.452 2.289 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC(=C)C)CC1 1722446942 DLUSEBBLEOFTIC-LJQANCHMSA-N 472.590 2.128 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCCN(CC)C(=O)C1 1722500585 CIGMLODACPURJK-DYESRHJHSA-N 472.615 2.309 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@]1(O)CCO[C@H]1C 1722505401 NJOOQUZFFWFGFI-HTAPYJJXSA-N 462.620 2.489 30 10 JEEE C=C(Cl)Cn1c([C@H](C)OCCOC)nnc1N1CCN(CC(=O)N2CCc3ccccc32)CC1 1722542513 CAFYWFYSCHVMQP-IBGZPJMESA-N 489.020 2.466 30 10 JEEE C=C(Cl)Cn1c([C@H](C)OCCOC)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1722543527 QOKKTBCXIQVZPT-IMFGXOCKSA-N 469.030 2.134 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(C)nc3ccccc23)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1722689307 RKPLHZPYFNTGMX-LJQANCHMSA-N 461.570 2.409 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 1722700602 NKSXFEGZUKEVEB-KRWDZBQOSA-N 468.583 2.167 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1722731109 DNNYPKJAEQJPFX-VQTJNVASSA-N 471.583 2.192 30 10 JEEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1722743273 VRCJSRGHTNYOMY-UHFFFAOYSA-N 460.564 2.266 30 10 JEEE CC(C)Cc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1C[C@H]1CCCN1S(C)(=O)=O 1723317409 BGXHMDOXNMQEJR-HSZRJFAPSA-N 499.685 2.485 30 10 JEEE C[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@H](C)CC#N)N1CCN(c2ccccc2)CC1 1723808705 CHCBZCZEIOIAIM-RTWAWAEBSA-N 464.618 2.463 30 10 JEEE CO[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1)C(C)C 1729875884 DUZNAIDIDGVEHG-XMSQKQJNSA-N 465.602 2.277 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CCOc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1740624419 GTYBVVAFARZZQI-FQEVSTJZSA-N 469.542 2.109 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1ccc(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1740624916 BSJBRQVJJMSBLG-ICSRJNTNSA-N 474.583 2.212 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CC[C@H](C)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1740625525 OJKSDUSZPNJQJJ-RBBKRZOGSA-N 470.643 2.155 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1N(C)CCCC1(C)C 1740630611 LDVNURYPPCGTND-JOCHJYFZSA-N 482.654 2.389 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCOCc2ccccc2)CC1 1740692916 ROIBGAOFLCSMIM-RUZDIDTESA-N 453.587 2.291 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CC2(O)CCOCC2)CC1 1740702401 NYEYDLMOZJQDFM-QFIPXVFZSA-N 465.598 2.327 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCN1CCCS1(=O)=O 1740735809 FLICUGZVGRRJLI-IEGUWTFLSA-N 492.646 2.076 30 10 JEEE C=C(Br)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)COC)CC1 1740741007 NZWJJYCLZVXVNX-UHFFFAOYSA-N 455.744 2.197 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1740795217 QBRMSXXFODMCKI-FGZHOGPDSA-N 468.602 2.113 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCOc2ccccc2C)CC1 1740825133 JXXNUQNRKQTSMB-FQEVSTJZSA-N 461.588 2.155 30 10 JEEE C=CC[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1)c1ccccc1 1740854086 LAAOGQHWCUGANP-VQTJNVASSA-N 451.575 2.332 30 10 JEEE C=CCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1740882755 WYDNZJGBHLRXHC-FQEVSTJZSA-N 463.542 2.176 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CC[C@H](OCCOC)C1 1740955082 WNNFXPWNPPWPSC-ZDUSSCGKSA-N 470.393 2.313 30 10 JEEE C=CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(NC(C)=O)CC1 1741003043 OFJKXIWYRGYVRF-UHFFFAOYSA-N 470.647 2.476 30 10 JEEE CC(C)CC[C@](C)(O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1741497576 FQRUESUSQODNIS-DVECYGJZSA-N 466.590 2.010 30 10 JEEE CCNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(SC)CCOCC2)CC1 1746531208 CFHBIAXDEMEGOG-UHFFFAOYSA-N 499.641 2.492 30 10 JEEE CCOCc1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1CCS(=O)(=O)CC 1747187792 FNXSKLMWHNOEMM-UHFFFAOYSA-N 466.995 2.101 30 10 JEEE CNC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@](C)(O)c2ccco2)C1 1748188378 BGBHRLAWQTXSCM-KOSHJBKYSA-N 464.526 2.192 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2C[C@@](C)(O)c2cccs2)c1 1748694916 UHJHTQMXTYBMIE-RUZDIDTESA-N 492.605 2.426 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC(=O)NCC2CC2)CC1 1749019053 JEBFZWBNLIVHAN-UHFFFAOYSA-N 484.988 2.003 30 10 JEEE C=C(C)COCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H]1CCOC1 1749230601 ZWAZJDYPXWRFGI-ROUUACIJSA-N 451.568 2.404 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC(c2ccnn2C)CC1 1749659509 FYTZHOFYYWBYPR-UHFFFAOYSA-N 465.558 2.382 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(Cc2cc(F)ccc2OC)CC1 1749721611 PHRFCBQWNYMBIW-UHFFFAOYSA-N 465.595 2.472 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(C)(C)N1CCOCC1 1751090846 AZMSCMZSQYVQSL-KRWDZBQOSA-N 460.604 2.198 30 10 JEEE C#CCN(c1nnc(CC)n1CCc1ccc(Br)cc1)[C@H]1CCS(=O)(=O)C1 1760188073 ZVTAJBDSPRCZKU-KRWDZBQOSA-N 451.390 2.472 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1CC1CCN(CC(F)(F)F)CC1)[C@H]1CCS(=O)(=O)C1 1760188722 CIONQZRVDAWKBP-SFHVURJKSA-N 473.565 2.132 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1Cc1cccnc1OCC)[C@@H]1CCS(=O)(=O)C1 1760188967 DVZZJDOXMYVCMH-LJQANCHMSA-N 471.608 2.399 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@@](C)(OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1760189002 FHAFTEZJRDXRAF-AUSIDOKSSA-N 460.575 2.450 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC[C@@H]1CCO[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1760189828 WXULZTJJXCFDFL-WTGUMLROSA-N 450.605 2.004 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCCC)c(OC)c1 1760218927 QIAIPXXCMOGPEX-FQEVSTJZSA-N 470.595 2.489 30 10 JEEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1CCN1CCN(Cc2ccccc2)CC1 1760224410 JUVHJSHSNVQKFV-UHFFFAOYSA-N 472.597 2.203 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@]1(N(C)C)CCSC1 1760241382 YFBBSKZAYALREL-WMZHIEFXSA-N 456.591 2.445 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3CC)n2CC[C@@H]2COCCO2)CC1 1760272843 AOMSKKQFVNTUMK-JOCHJYFZSA-N 481.597 2.191 30 10 JEEE C#CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(CCOC)[C@H](C)C1 1760281249 LXFLVECKBXLARJ-WIYYLYMNSA-N 457.600 2.314 30 10 JEEE C=C(C)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1760348015 MPORUIOAOMKWSI-UHFFFAOYSA-N 454.575 2.223 30 10 JEEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCn2nc(C)nc2C1 1760374198 JYYZTQPGZMESCK-HNNXBMFYSA-N 464.958 2.259 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C(=O)OCC)CC1 1760518170 KXAXJFHVFMQQGP-UHFFFAOYSA-N 450.902 2.318 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1760519578 IULYLDNUAJLSCP-UYAOXDASSA-N 491.596 2.163 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@H]2CCN(CC)C2)C1 1760540006 ZFTNYWZZZGDGDW-FPOVZHCZSA-N 488.658 2.319 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2OC)nnc1N1CCO[C@@H](C(F)(F)F)C1 1760558697 XQOABMVUSVQOFW-QGZVFWFLSA-N 490.504 2.234 30 10 JEEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(NC(N)=O)cc1 1760808955 AGWRCVIQYKACFY-IPMKNSEASA-N 453.547 2.464 30 10 JEEE C[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(=O)(=O)Cc2ccon2)C[C@@H]1C 1762965855 CNIJIKIYZAPXHW-IRXDYDNUSA-N 469.571 2.407 30 10 JEEE CCO[C@]1(c2nnc(N(C)Cc3cccc(C#N)c3)n2Cc2ccc(C)n(C)c2=O)CCOC1 1767394283 IEEGOSUFQPLIIY-RUZDIDTESA-N 462.554 2.494 30 10 JEEE C=CCNS(=O)(=O)c1ccc2nc(NC(=O)c3ccc(S(C)(=O)=O)cc3)sc2c1 1866207902 WVHGWYBDKMBLED-UHFFFAOYSA-N 451.551 2.416 30 10 JEEE CC[C@@](C)(NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1)C(=O)N1CCC(C(N)=O)CC1 1868794876 HIBLOVQZJLEGML-FDDCHVKYSA-N 459.616 2.034 30 10 JEEE C=CCn1cc(OCC(=O)Nc2c(C)cccc2C(C)C)c(=O)cc1CN(CCO)CCO 1870402136 VKXMVTDWFNTQNG-UHFFFAOYSA-N 457.571 2.270 30 10 JEEE C=CCn1cc(OCC(=O)N[C@H](C)CC)c(=O)cc1CN1CCN(Cc2ccc3c(c2)OCO3)CC1 1870525371 LUOMLDJXNWCAKU-HXUWFJFHSA-N 496.608 2.374 30 10 JEEE C=CCN(CC=C)c1nc(=NCCCN2CCCC2=O)[nH]c(=Nc2cccc([N+](=O)[O-])c2C)[nH]1 1871641278 LVIZWNSZAOWYKN-UHFFFAOYSA-N 466.546 2.278 30 10 JEEE CCOc1cc(/C=N/Nc2cnn([C@H]3CCS(=O)(=O)C3)c(=O)c2Br)ccc1OC 1873527439 ZIIZBHBGLVEMEU-QOJWJBQSSA-N 485.360 2.219 30 10 JEEE CC(C)(C)OC(=O)N1CC(O)([C@H](F)C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2124536177 PNOJYLQOCKSINX-MRXNPFEDSA-N 450.316 2.244 30 10 JEEE CN(CCNC(=O)OC(C)(C)C)CC(=O)NCCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2180986181 YIPYDFBVIPSOAZ-UHFFFAOYSA-N 461.412 2.101 30 10 JEEE CSC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2248395942 SPCLZHVWMFPZHW-GFCCVEGCSA-N 457.427 2.315 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@](CO)(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2255623710 QQWHPKRUKPDPMX-NRFANRHFSA-N 452.382 2.149 30 10 JEEE CC(C)(C)OC(=O)N1CC(CO)(CNC(=O)c2csc(B3OC(C)(C)C(C)(C)O3)c2)C1 2255850679 JJJYIBQVTUQQJN-UHFFFAOYSA-N 452.382 2.007 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(CNC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)O)s1 2256620127 FICITOZCQJKFQF-CJNGLKHVSA-N 454.398 2.246 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NCC2(CO)CCN(C(=O)OC(C)(C)C)CC2)C1 2266485236 CRVNUAQOASGJJO-UHFFFAOYSA-N 465.591 2.419 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)[C@H]2COC[C@@H]12 2266997535 MZBUOYAOIWSXAD-XKQJLSEDSA-N 464.393 2.411 30 10 JEEE CC1(C)OB(c2nscc2C(=O)N2C[C@H]3CC[C@H]2[C@H](NC(=O)C(F)(F)F)C3)OC1(C)C 2267145973 HTXIXIUMUMYUBZ-UHTWSYAYSA-N 459.299 2.114 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCOCCCNC(=O)OC(C)(C)C 2267192835 WSLOCZFNVNPKBX-UHFFFAOYSA-N 469.413 2.412 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2csc(B3OC(C)(C)C(C)(C)O3)c2)[C@H](CO)C1 2267290055 YDCQHTYGBGYGIF-JKSUJKDBSA-N 466.409 2.395 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1NS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2267376681 ZVKPLNNJEXYHOC-IAGOWNOFSA-N 467.397 2.105 30 10 JEEE CC(C)(CCNS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1)NC(=O)OC(C)(C)C 2267377293 DCMZLKJGXOCAKM-UHFFFAOYSA-N 469.413 2.353 30 10 JEEE Cc1c(C(=O)N[C@H](CNC(=O)OC(C)(C)C)C(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267528198 BNLKPKGZEIHQQI-OAHLLOKOSA-N 450.389 2.307 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)C2CC(B3OC(C)(C)C(C)(C)O3)C2)[C@@H](S(C)(=O)=O)C1 2267579142 OGFAEHUSWGDGJH-CKUJCDMFSA-N 472.413 2.008 30 10 JEEE CC(C)(C)OC(=O)N1CCSC(C)(C)[C@@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2268702420 VGMZFOAMDYTPDI-LBPRGKRZSA-N 484.453 2.329 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N1CCc2sc(B3OC(C)(C)C(C)(C)O3)cc2C1 2268721054 GJMGOAFESNLECE-HNNXBMFYSA-N 466.409 2.208 30 10 JEEE N#Cc1cc(NS(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)ccc1Br 2270522385 OKCBZJNVMLMGGV-INIZCTEOSA-N 482.312 2.442 30 10 JEEE COc1ccc(C(=O)N[C@H]2COC[C@H]2NC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2281818178 XFQNVVAUIMDTBF-DLBZAZTESA-N 462.352 2.016 30 10 JEEE Cn1cc(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)C(C)(C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2281977386 OPHNALHNEQODMH-OAHLLOKOSA-N 462.400 2.485 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@]2(NC(=O)c3ncc(B4OC(C)(C)C(C)(C)O4)cn3)CCC[C@@H]12 2282025501 PMPYFSHXOIKUJC-WAIKUNEKSA-N 458.368 2.438 30 10 JEEE Cn1cc(C(=O)N=[S@@](C)(=O)CCCCNC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2282041803 BPDSTBNFNOKZPW-XIFFEERXSA-N 484.428 2.262 30 10 JEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H](CCNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)O1 2282199956 JIFMIDPYTDXYEL-DOTOQJQBSA-N 463.384 2.458 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC=CCC23CN(C(=O)OC(C)(C)C)C3)n1 2282539469 UQSWIQARLPYQBP-UHFFFAOYSA-N 458.368 2.111 30 10 JEEE Cn1cc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)CC2(C)C)nc1B1OC(C)(C)C(C)(C)O1 2282549175 GQCLZFLJCXUVFN-INIZCTEOSA-N 462.400 2.485 30 10 JEEE C[C@@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2CN1C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2282551200 IEJLHRLOTJWDLX-PMPSAXMXSA-N 460.384 2.047 30 10 JEEE Cn1cc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]3CC[C@@H]23)nc1B1OC(C)(C)C(C)(C)O1 2282552658 LRUMVIUDQUUIMT-ZMSDIMECSA-N 460.384 2.237 30 10 JEEE CC(C)(C)OC(=O)NCC1(F)CC(CNC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2282675268 VJLPUKZGTYPICL-UHFFFAOYSA-N 464.347 2.149 30 10 JEEE CC(C)(C)OC(=O)NCCc1n[nH]cc1C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2284125698 NUSUSCJPLWKHCC-UHFFFAOYSA-N 477.396 2.163 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N1CCOC[C@H]1CNC(=O)OC(C)(C)C 2285212127 DIBWEJHFOJMIBU-QGZVFWFLSA-N 461.368 2.055 30 10 JEEE CCCN(CCC)C(=O)COc1ccc(C=Nn2c(C)nnc2SCC(N)=O)cc1OC 2321124151 SLTDRXOOHQVQHQ-UHFFFAOYSA-N 462.576 2.082 30 10 JEEE O=c1c(Cl)c(NN=Cc2ccc(O)c(Br)c2)cnn1[C@H]1CCS(=O)(=O)C1 2322615796 ZBVPBMPYOOTGLJ-JTQLQIEISA-N 461.725 2.170 30 10 JEEE CC(=O)NCc1nnc(SCC(=O)N[C@@H](C)c2ccccc2)n1N=Cc1ccc(O)cc1 2330794200 WTPIRKMVFLIGDQ-HNNXBMFYSA-N 452.540 2.472 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1[C@@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)[C@@H]2CCC[C@@H]12 2334388775 LKZVWQNMTJGPSK-MQYQWHSLSA-N 464.397 2.137 30 10 JEEE CO[C@H]1[C@@H](C(=O)N2CC[C@@H](B3OC(C)(C)C(C)(C)O3)C2)N(C(=O)OC(C)(C)C)C[C@H]1OC 2342482698 OFXBQGCVQIXXTK-WCXIOVBPSA-N 454.373 2.330 30 10 JEEE C[C@@H](C(=O)N1CC[C@H](B2OC(C)(C)C(C)(C)O2)C1)N1CCN(C(=O)OC(C)(C)C)CC1=O 2342542670 CQUFJTSITHTIKM-HOTGVXAUSA-N 451.373 2.149 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CN(Cc2ccccc2)CC(F)(F)C1 2362325705 IEDALLIUMMGBKA-QGZVFWFLSA-N 460.334 2.359 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(C)C[C@@H]2CCCN2C(=O)OC(C)(C)C)n1C 2362333856 ALJADZVSKWPJET-INIZCTEOSA-N 462.400 2.499 30 10 JEEE Cc1nc(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)n1C 2362338188 CJADJTTVCBJKQE-CABCVRRESA-N 466.363 2.105 30 10 JEEE CSc1ccc([C@@H]2c3c(nc(N4CCC5(CC4)OCCO5)[nH]c3=O)NC(=O)[C@H]2C#N)cc1 72444346 AHWGDHFZUBSQBE-HOTGVXAUSA-N 453.524 2.059 30 10 JEEE C[C@]12CC(=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 256501507 IMWBZDUOZWSUQI-KCSBSPPVSA-N 458.507 2.182 30 10 JEEE CCCC[C@@H](CC)Cn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cnn3ccccc23)c1=O 729670249 NZUPALDQDJBGHZ-LJQANCHMSA-N 493.633 2.136 30 10 JEEE CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)/C(=C(/C)NCCn3nccc3C)C(=O)[C@]12C 1075947950 VUEOHJNEHXJLDD-VTUIFRMYSA-N 451.479 2.363 30 10 JEEE CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)/C(=C(/C)N[C@H](CC(C)C)C(N)=O)C(=O)[C@]12C 1076000316 IXYZYLKGOVORSO-FOEHVLFCSA-N 456.495 2.058 30 10 JEEE C/C=C/C[C@H](C)[C@H](OC(C)=O)[C@H](C=O)N(C)C(=O)[C@H](NC(=O)[C@H](CC(C)C)NC)C(C)C 1083142262 JAUFAMFQTMVIEO-BKGMVQKFSA-N 453.624 2.321 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1CC[S@](=O)CC)[C@H]1CCS(=O)(=O)C1 1286388332 NNLODLVXHXJWQD-BEIWTESXSA-N 485.031 2.002 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 1286398841 QVYZJTSMMBRPHU-SFHVURJKSA-N 454.575 2.279 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCC(F)(F)C1)[C@@H]1CCS(=O)(=O)C1 1286398985 VQGMERKBSZVRPZ-XDNAFOTISA-N 472.558 2.064 30 10 JEEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1CCc1cnc2c(Cl)cnn2c1 1286422254 KAADQJCOWZJOGF-QHCPKHFHSA-N 467.961 2.332 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 1286459590 RKJPWCRSOCRXCK-SFHVURJKSA-N 457.579 2.412 30 10 JEEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2CCCN2C[C@H](C)O[C@H](C)C2)CC1 1286479395 RJVNXXDGEDJQSQ-BGYRXZFFSA-N 472.584 2.402 30 10 JEEE C=C(C)COCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1286604661 WAPHHEXSVPVEEP-UHFFFAOYSA-N 464.570 2.485 30 10 JEEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@@H](OCCC)CC1 1286786557 HCTGOGIDLNSBAK-GOSISDBHSA-N 489.646 2.326 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1286798849 MBKSBQKLSLMBLA-QFIPXVFZSA-N 496.612 2.306 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1286824000 SYHGGPOTVPELAN-SFHVURJKSA-N 477.587 2.043 30 10 JEEE CC(C)NS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(O)(C(F)(F)F)CC1 1288267626 DTYGFVJJIXLJQP-UHFFFAOYSA-N 486.520 2.038 30 10 JEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC(NC(=O)Oc2ccccc2)CC1 1292743232 AKRHAAFTBLKRLW-MRXNPFEDSA-N 456.524 2.005 30 10 JEEE CCC[C@@H](C)C(=O)NCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1293861615 FLXRYNDCSMLFOJ-YLJYHZDGSA-N 496.591 2.119 30 10 JEEE CCNC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CC[C@H](F)C2)CC1 1296296914 BZSONCBWKKTQMZ-PMACEKPBSA-N 469.565 2.125 30 10 JEEE CN(C)C(=O)C1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@](C)(C(N)=O)C2)CCCC1 1297947533 CBUYYZPDSWYNKZ-XMMPIXPASA-N 479.585 2.079 30 10 JEEE Cn1cc(N2CCN(c3nnc(COc4ccc(C#N)cc4)n3CCC(C)(F)F)CC2=O)cn1 1298833198 BGETVLFVLWZMLX-UHFFFAOYSA-N 470.484 2.361 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1(N2CCOCC2)CC1 1300330089 VJEMYSYICKRNOK-QRVBRYPASA-N 458.607 2.372 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2C[C@]2(N(C)C)CCSC2)c1 1300334598 RESFFGCPQQXOCD-YADARESESA-N 468.627 2.276 30 10 JEEE C#CCCCn1c(N2CCC(N3CCN(C(C)C)CC3)CC2)nnc1[C@@]1(OCC)CCOC1 1300425835 YQCLUBDUSKISCO-RUZDIDTESA-N 458.651 2.338 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccn3C)n2C[C@@](O)(c2ccccc2)C(F)(F)F)CC1 1300692695 LMCLSHDIQUTTFK-JOCHJYFZSA-N 458.488 2.489 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2CCCS(=O)(=O)Cc2ccccc2)CC1 1300700468 QLMXVRFNMSQYEE-QFIPXVFZSA-N 471.627 2.280 30 10 JEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](C2CCCCC2)N(C)C)CC1 1300705928 DWHXWUKRCVRRHU-QHCPKHFHSA-N 452.651 2.405 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CC2(S(C)(=O)=O)CCCC2)CC1 1300724647 AOTSCFBALNKUKC-UHFFFAOYSA-N 463.648 2.190 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CC[C@@](C)(O)c2ccccc2)CC1 1300726517 PFDASPJMSGNWEK-HFZDXXHNSA-N 465.598 2.436 30 10 JEEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1300742871 CRGLGOYQLOZUFJ-LJQANCHMSA-N 489.667 2.456 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCC(N2CCNC2=O)CC1 1300874688 NJSXIGUQSTYRFT-FXAWDEMLSA-N 473.622 2.172 30 10 JEEE C=C(C)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1300939416 VMSKXQHZZANTCH-UHFFFAOYSA-N 482.585 2.200 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCO[C@H]2C(C)C)CC1 1301126523 WCWQEEGGJJQGQX-AABGKKOBSA-N 467.636 2.075 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)cc1N1CCOCC1 1301425852 ZDPDKDKSGGGROM-OAQYLSRUSA-N 489.642 2.012 30 10 JEEE C=CCn1c(-c2ccc(Br)cc2Cl)nnc1N1CCN(CC(=O)NCCOC)CC1 1301436299 ZOCSUZJWKJTCTO-UHFFFAOYSA-N 497.825 2.432 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CC[C@@](O)(Cc2cccc(Cl)c2)C1 1301490877 HJLYSNIMFKNLRU-HSZRJFAPSA-N 452.946 2.480 30 10 JEEE C=CCSCCn1c(-c2cccnc2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1301605894 CLJHSMRUOQPNII-WIYYLYMNSA-N 455.632 2.248 30 10 JEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2COC)c1 1305032762 SVHAIVPOPVUYTN-SFHVURJKSA-N 450.557 2.192 30 10 JEEE C=CCC[C@@H](NC(=O)N1CCN(C(=O)Cn2cnnn2)CC1)c1ccc(C(F)(F)F)cc1 1312344404 YFAGWOLHQLYXGJ-QGZVFWFLSA-N 451.453 2.253 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2ccc(OC)cc2)CCC1 1359010053 FLTVNQHTVWFCPA-NRFANRHFSA-N 487.626 2.201 30 10 JEEE C#CCN(CCOC)c1nnc(Cc2ccsc2)n1Cc1cccnc1N1CCOCC1 1359026076 JPHTVENCJXZSRU-UHFFFAOYSA-N 452.584 2.296 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cc(F)cc(OC)c2)CC1 1359039900 AIKPQHWCDSEKJC-UHFFFAOYSA-N 491.527 2.087 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCC(C)(C)O)CC1 1359042676 PJVGCRLBZAXQAQ-UHFFFAOYSA-N 455.559 2.089 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCOCCC=C)CC1 1359043365 RFSRYIGORYZYLU-UHFFFAOYSA-N 451.527 2.232 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCOC2)n1CCS(=O)(=O)N(C)C 1359256758 PFUCRLOTSNCMKT-FQEVSTJZSA-N 458.588 2.128 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c(-c2cnccn2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1)C(C)C 1359266257 XGNARDJJMXRMMT-HMXCVIKNSA-N 450.591 2.149 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC(=O)NCC(F)F)C1 1359314518 CEZCSTBMKGWIHA-GFCCVEGCSA-N 459.295 2.198 30 10 JEEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(NC(=O)C2CCCC2)c1 1507602007 XOJQERDTANHEPS-MRXNPFEDSA-N 458.588 2.135 30 10 JEEE C#CCN(c1nnc(C)n1C[C@H](c1ccccc1OC)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1507625989 MDZOPYYHUJUHCR-PZJWPPBQSA-N 457.600 2.059 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1Cc1ccc(F)c(COC)c1)[C@@H]1CCS(=O)(=O)C1 1507629779 PZFGLIBHBXLHTG-LJQANCHMSA-N 471.558 2.244 30 10 JEEE C[C@H](C#N)CN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC[S@@](=O)C(C)(C)C 1508416086 DJJZEQUYJBFAOS-IBADJEFMSA-N 455.588 2.335 30 10 JEEE CC(C)COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCO[C@H]2C)CC1 1509446818 HJOPRNDVUWHOMK-UUOWRZLLSA-N 468.558 2.271 30 10 JEEE COCCN1C[C@@H](Cn2c(COc3ccc(F)cc3)nnc2N2CCC(C#N)CC2)CC1=O 1519216085 BZKDHUZXHCOYMU-SFHVURJKSA-N 456.522 2.231 30 10 JEEE C=CCOc1ccc(CNC(=O)c2cccc(S(=O)(=O)N3CCN(C(C)=O)CC3)c2)cc1 1525685053 FUCSEFGFSKRCSG-UHFFFAOYSA-N 457.552 2.034 30 10 JEEE C#CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCc2nn(C)c(=O)cc2C1 1539071103 MADNXWKDAFVZMG-FQEVSTJZSA-N 497.600 2.046 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)o2)n1Cc1ccc(C[S@](C)=O)cc1)[C@H]1CCS(=O)(=O)C1 1539211591 IZACLHHIPGOOOM-WEZXKFLESA-N 486.619 2.400 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@]1(O)CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1539226429 XQXPGPKOSZIUOZ-NBGIEHNGSA-N 486.638 2.445 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2Cc2cc(Br)ccc2OC)CC1 1539446573 GQDRXACFYGZGSK-MRXNPFEDSA-N 460.376 2.357 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@@H](Cc2ccccc2)OC)CC1 1539484277 JSTOVLHZLOJOBR-XMMPIXPASA-N 472.593 2.487 30 10 JEEE C#CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1539505906 FKUWLHBAOOXXRA-UHFFFAOYSA-N 498.653 2.421 30 10 JEEE C=C(Br)Cn1c(-c2ccc3c(c2)OCO3)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1539587501 FGNOYZCQQCJAHL-UHFFFAOYSA-N 498.403 2.443 30 10 JEEE C=C(C)COCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](C)[C@@H](O)C1 1539750684 TZNOIPKSHLBSHK-QYZOEREBSA-N 465.595 2.386 30 10 JEEE C=C(Cl)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1539788096 YORHLGHVSFMBAF-INIZCTEOSA-N 460.922 2.188 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](c2cccs2)N(C)C)CC1 1539847194 BHLHLNCEUCYMPW-MSOLQXFVSA-N 480.660 2.132 30 10 JEEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 1539981851 JPAQDUSRFYLILB-QZTJIDSGSA-N 466.652 2.329 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(F)(F)F 1540129681 WYSFPZKAKQPELY-KRWDZBQOSA-N 484.504 2.238 30 10 JEEE C#CC[C@]1(C(=O)N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)CCCN1C(=O)OC(C)(C)C 1540549086 BSXMRFIEVPJMSS-CJFMBICVSA-N 454.571 2.150 30 10 JEEE C=CCNC(=O)Cn1c(N2CCN(c3ccccc3F)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1540876060 GIONRQBPDHVCQN-XMMPIXPASA-N 472.565 2.087 30 10 JEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)Nc1cc(F)cc(F)c1 1540916878 ISYIAHZYRBCBEO-AWEZNQCLSA-N 485.582 2.453 30 10 JEEE CCC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1546835552 CNUXTWWSMPWTCE-GCJKJVERSA-N 460.604 2.133 30 10 JEEE CNC(=O)[C@@H]1CN(C(=O)c2cnn(C)c2)CC12CCN(c1ccc(C#N)c(C(F)(F)F)c1)CC2 1548375201 CXXVAZRWHKDMDQ-IBGZPJMESA-N 474.487 2.415 30 10 JEEE Cn1cncc1C(=O)N1CCC2(CC1)CN(c1ccc(C#N)c(C(F)(F)F)c1)C[C@H]2C(N)=O 1548377797 YXAXGNADASDDNM-KRWDZBQOSA-N 460.460 2.155 30 10 JEEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCC(C#N)CC3)n2CCn2cc(Cl)cn2)c1 1552880321 GWZXIJOLOQQOQD-UHFFFAOYSA-N 489.005 2.485 30 10 JEEE CN(Cc1cscn1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1554197148 FVMBQMSEMBIXHJ-QGZVFWFLSA-N 487.611 2.103 30 10 JEEE COC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCC[C@@H]2C)CC1 1554565290 FLKDAPOFVXTXCP-SFHVURJKSA-N 453.547 2.101 30 10 JEEE C#C[C@H](NC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1F 1563749693 KNLWFHVACBZUKV-KRWDZBQOSA-N 454.867 2.339 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCCCS(C)(=O)=O 1587581182 XLALHCRJXABBLR-INIZCTEOSA-N 452.602 2.021 30 10 JEEE C#CCN(c1nnc([C@H](C)OCCOC)n1Cc1sccc1C)[C@H]1CCS(=O)(=O)C1 1588034956 NTLMIASVDSSEIS-IRXDYDNUSA-N 452.602 2.047 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC[C@@H](OCC)C1CCCC1)[C@@H]1CCS(=O)(=O)C1 1588049313 FAAHWXIBKLULNL-NHCUHLMSSA-N 474.631 2.291 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC=CO1 1588550108 IEXKSJJRBRDRGZ-LEWJYISDSA-N 489.573 2.083 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2C[C@H]2CCN(CC(F)(F)F)C2)CC1 1588923969 SCRQLWICDCXIBK-INIZCTEOSA-N 452.525 2.396 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@]2(O)CCSC2)CC1 1588961713 JSVNLMMWPNRJSO-VWLOTQADSA-N 483.638 2.308 30 10 JEEE C#CCSCCn1c([C@H](CC)c2ccccc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1588984737 KHUPNUYLZQLXCI-OAQYLSRUSA-N 482.654 2.360 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)CCC(=O)NC 1589529881 PTPDNUPOSZEDRV-TZIWHRDSSA-N 468.606 2.006 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CCN(CCOC)[C@H](C)C1 1595490049 LIGMTPLZJFIHMP-LJQANCHMSA-N 463.586 2.261 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1595577193 LDSINMUOTJGKAJ-OPAMFIHVSA-N 461.950 2.197 30 10 JEEE CC(=O)N1CC[C@@H](CN(C)c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)c2ccco2)C1 1596005448 CTHMIESSKRZRGP-FQEVSTJZSA-N 491.552 2.056 30 10 JEEE CC(C)(C)OC(=O)NCCn1c(-c2cnccn2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1597588638 BGKUUUKVMBWFSG-UHFFFAOYSA-N 489.584 2.454 30 10 JEEE CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C2CC2)N(C)C)CC1 1613441678 GXPYPMVPVOMZOF-AUSIDOKSSA-N 478.645 2.194 30 10 JEEE C=CCC[C@@H](NS(=O)(=O)c1cc(S(C)(=O)=O)ccc1Br)C(=O)OCC 1655359264 XUDYVDCVGIRBJH-CYBMUJFWSA-N 454.364 2.029 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccsc3)n2CC(=O)N(C)CC)c1 1689871936 JKLJEAGKHKVFMY-UHFFFAOYSA-N 450.568 2.465 30 10 JEEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1689915278 WMTIUUADFJWYSW-UHFFFAOYSA-N 497.401 2.280 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1Cc1ccccc1C1OCCO1)[C@@H]1CCS(=O)(=O)C1 1689992794 OWDAAYCVQRNVKQ-LJQANCHMSA-N 458.584 2.197 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCC(=O)N[C@@H](C)CC 1690037593 YFGQRPSVMISISV-SFHVURJKSA-N 455.584 2.116 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1690196660 SKSYCYYGRQBJQE-UZUQRXQVSA-N 473.599 2.236 30 10 JEEE C=C1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCCNS(C)(=O)=O)CC1 1690373626 HKJQEABOBWPFGD-SFHVURJKSA-N 482.651 2.488 30 10 JEEE C=CCOc1ccccc1Cn1c(Cc2cccnc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1690683309 HCEDAAYLSWBNEL-JOCHJYFZSA-N 462.554 2.218 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCCO3)n2CCNS(=O)(=O)c2ccccc2)C1 1690700498 SXOYQWDGXCKXML-AZUAARDMSA-N 461.588 2.280 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1690729255 KDCLGTIBHCSSNR-FQEVSTJZSA-N 487.626 2.358 30 10 JEEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCCC(C)(C)C2)CC1=O 1698087201 COOHPGOTMBZCSQ-UHFFFAOYSA-N 465.602 2.234 30 10 JEEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@](C)(O)C(C)C)C[C@@H]1C 1698096414 GDWCLYFOLUQPPJ-YADARESESA-N 456.591 2.293 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CCCC3)n2CC(=O)NCC(F)F)c1 1705507574 HENZIMLYHZVPDK-UHFFFAOYSA-N 458.513 2.448 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1oc(CC)nc1C)[C@H]1CCS(=O)(=O)C1 1705560787 KJNLFDFJDWNMMA-SFHVURJKSA-N 484.538 2.387 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1CCc1nc(C(F)(F)F)cs1)[C@H]1CCS(=O)(=O)C1 1705564581 CPGWETUBYOAPDE-KBPBESRZSA-N 489.545 2.127 30 10 JEEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCO[C@H]1c1ccc(C)cc1 1705573273 DBOMEHWBASKYQZ-BVSLBCMMSA-N 469.611 2.437 30 10 JEEE CN1CCCC(C)(C)[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1711277225 FXEZFYYNKKCVEQ-TZIWHRDSSA-N 486.642 2.472 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1([S@@](C)=O)CCC1 1722294858 IDUVCJXUWFOSNT-CXYMVJPKSA-N 465.620 2.346 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(OC)nc1 1722295776 MDSPBQFGHWEFSO-SJLPKXTDSA-N 456.547 2.496 30 10 JEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1722325516 MJTAFBFZBDEGED-GOSISDBHSA-N 456.528 2.031 30 10 JEEE C#CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@H](NC(C)=O)C1 1722327651 MPFPPHQIAZOHRN-SFHVURJKSA-N 457.604 2.065 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1cccc(F)c1)C1CC1 1722333922 ZZXZEWBLISTSCT-FQEVSTJZSA-N 461.563 2.333 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1CC[C@@H](OC)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1722364083 DSZXPIZRSIAFMB-HZPDHXFCSA-N 491.561 2.228 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(Br)ccc1OC 1722397507 RBFIYTXRUJYMQX-INIZCTEOSA-N 491.411 2.463 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC[C@H](C)N2CCCCC2)CC1 1722443138 DCXRIMZGLSXBHK-HFZDXXHNSA-N 486.661 2.161 30 10 JEEE C#CCSCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1722457730 MBZNMAAWLRUHCC-UHFFFAOYSA-N 499.666 2.357 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2CCCN(C(C)=O)C2)C1 1722711142 SDYLDIHJGXKZCD-IMSXRSKXSA-N 461.607 2.359 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CCN(C(=O)c2ccco2)CC1 1722729589 PZUNIHMMUVDJHS-UHFFFAOYSA-N 499.593 2.034 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1722729795 XLIVGYDLINDUPA-XMMPIXPASA-N 490.626 2.253 30 10 JEEE CCOC1CC(O)(Cn2c(C3CCN(c4ncccn4)CC3)nnc2N(C)[C@H](C)CC#N)C1 1728938121 GQAWNNDWMOFMQL-IMHYJWESSA-N 454.579 2.120 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@H](c1ccco1)N(C)C)[C@H]1CCS(=O)(=O)C1 1740624353 FQAMRRRXVIOZTA-RBUKOAKNSA-N 488.639 2.156 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1CCN(CCC)C1)[C@H]1CCS(=O)(=O)C1 1740626819 WJANTELZAMBXPO-IRLDBZIGSA-N 473.618 2.367 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@](C)(O)CCC)[C@H]1CCS(=O)(=O)C1 1740629077 ZXUMUFCCKKRXEU-WMZHIEFXSA-N 460.600 2.343 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCOc1ncccc1F 1740639609 DKDBIGOCHMQNDA-IBGZPJMESA-N 484.532 2.272 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1CCS(=O)(=O)C1 1740655261 CKWACADBODHVGN-VQTJNVASSA-N 489.642 2.290 30 10 JEEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCS(=O)(=O)C(C)(C)C 1740671307 DEXLXXWFLFHKJI-QGZVFWFLSA-N 483.635 2.259 30 10 JEEE C=C(Br)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(C)C(=O)[C@H]1C 1740742853 DEDGMHQOEHGLJS-CQSZACIVSA-N 486.374 2.250 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)CCC)CC1 1740762554 UWRDXGVWJOTBOB-OPYAIIAOSA-N 479.647 2.047 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)N1CCC[C@H](C)C1 1740773687 AZFZIKYYQSWLIA-ZCNNSNEGSA-N 468.668 2.134 30 10 JEEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1740790123 BUFLOKICBKPMHU-JOCHJYFZSA-N 463.586 2.225 30 10 JEEE C=CC[C@H](Cn1c(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)nnc1C(C)(C)C)c1ccccc1 1740854823 JITAXIAGSSXWMQ-JOCHJYFZSA-N 494.640 2.443 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(C)noc1C 1740938136 ZGFPLBPGWZZJPI-HXUWFJFHSA-N 490.586 2.092 30 10 JEEE C=CCNC(=O)Cn1c(COCC)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](CC)C1 1740965019 YQDRANVINIBYAA-IAGOWNOFSA-N 450.584 2.246 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 1740994188 KAHIKGUOWQFFNH-GOSISDBHSA-N 450.527 2.361 30 10 JEEE CCO[C@@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CC2CN(C(=O)OC(C)(C)C)C2)CCOC1 1746695376 DDILNEPJOLTCHG-VXKWHMMOSA-N 464.542 2.239 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCn2cnnn2)c1 1748697471 JPSPAMCLZNKKBC-IFMALSPDSA-N 491.600 2.330 30 10 JEEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccccc1CN1CC[C@H](O)C1 1748771316 KBZHQMBYRIKDGA-WIOPSUGQSA-N 453.587 2.003 30 10 JEEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CN(Cc2ccccc2)CCO1 1748830394 VLUMKDAAOSWXKS-SQHAQQRYSA-N 477.609 2.293 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CCCNC(=O)C2CCC2)CC1 1749005994 DPMDGXLVKLHCMF-UHFFFAOYSA-N 452.559 2.119 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(Cl)cc2OC)CC1 1749010138 OBLUBSPNHGOYOT-SFHVURJKSA-N 457.962 2.458 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@]1(O)CCS(=O)(=O)C1 1749054611 WOQZPIITVZMYQH-NPFVIJTESA-N 462.547 2.099 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCOCC2)cc1 1749143797 MLNUZVWVBMWYIJ-GOSISDBHSA-N 462.620 2.176 30 10 JEEE C=C(C)Cn1c([C@H](C)CC)nnc1N1C[C@@H]2[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1749170407 NKESPOGISCUHGG-WCXIOVBPSA-N 453.609 2.494 30 10 JEEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(N2CCCNC2=O)CC1 1749459479 KWWMPGSPQGJNIU-UHFFFAOYSA-N 456.595 2.117 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc(C(=O)N2CCCC2)n1CCN1CCOC[C@@H]1C 1749582196 DMEHVKYBJQVPPO-NRFANRHFSA-N 452.603 2.470 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1749695542 DPOKKICLBHARCI-PXNSSMCTSA-N 497.415 2.039 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@@H](c2nccs2)C1 1749731745 JHIQPBYEDYMACF-JKSUJKDBSA-N 453.590 2.155 30 10 JEEE C=CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C(=O)NC)CC1 1749746043 PYMBXRKGIPCELF-UHFFFAOYSA-N 454.398 2.416 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1CCC[C@@H]1NC(=O)NC1=O 1760104162 SSPRNMDZMVZVLH-CJNGLKHVSA-N 459.348 2.462 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccccc1CN1CCC(O)CC1 1760126758 ILIHLNPQNYBIRB-UCFCWBNQSA-N 467.614 2.465 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1CC1(SC)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1760184256 HZIJOEIMMJAJFM-GOSISDBHSA-N 490.651 2.493 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CCN1CCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1760185925 HAXXVOJSJMXCBO-QZTJIDSGSA-N 477.581 2.258 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](c1cccc(C)c1)N1CCOCC1 1760217805 NFQSBPVTLIZHRK-DHIUTWEWSA-N 460.582 2.074 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Cl)c3)n2CCN(C)CCOC)CC1 1760267256 XJGKZRRGVQCTPX-UHFFFAOYSA-N 458.994 2.143 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2CCN2CCCCC2)CC1 1760271300 STNXYYXZIXFWRF-UHFFFAOYSA-N 464.614 2.351 30 10 JEEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1760284736 QTTDBCQWRHHGNB-LJQANCHMSA-N 499.666 2.355 30 10 JEEE C=CC1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1760404559 CSSITVBQWMJNMY-QHCPKHFHSA-N 460.600 2.426 30 10 JEEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1760421863 CFOXDTHRKVQCJA-GJZGRUSLSA-N 452.547 2.317 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c(-c2noc3c2COCC3)nnc1N1CCNC(=O)CC1)C(C)C 1760489013 ALLMNSUITUSFJX-LJQANCHMSA-N 469.590 2.031 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1760554346 AORLSGOKTSLYEB-HXUWFJFHSA-N 491.017 2.435 30 10 JEEE Cc1cc(C)n(CCCn2c(-c3cccc(C#N)c3)nnc2N2CCC(NS(C)(=O)=O)CC2)n1 1762468488 AHDVVTPIRZHMCM-UHFFFAOYSA-N 482.614 2.238 30 10 JEEE CN(C)C(=O)CCn1c(-c2ccc(F)cc2Br)nnc1N1CCO[C@@H](C#N)C1 1768444539 BFPUHXWCBSFSHD-ZDUSSCGKSA-N 451.300 2.054 30 10 JEEE COCC[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2ccccn2)CC1 1769567087 HAMKKPZDDTUUTR-RUZDIDTESA-N 477.569 2.238 30 10 JEEE COc1cc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H]2CCOC[C@@H]2OC)cc(OC)c1OC 1769816799 GDHYECTTWXQTDQ-FOMLIJIXSA-N 475.521 2.464 30 10 JEEE C#CCOC(=O)NS(=O)(=O)c1ccc(CNC(=O)c2ccc(Br)cc2)cc1 1858962818 NWSWYUUTVBXIGD-UHFFFAOYSA-N 451.298 2.427 30 10 JEEE C=CCNC(=O)[C@@H](Cc1ccc(OC(C)=O)cc1)NC(=O)c1ccc(=O)n(Cc2ccccc2)c1 1861245830 FJQZTPLBQAQKOX-XMMPIXPASA-N 473.529 2.465 30 10 JEEE C=CCNC(=O)[C@@H](Cc1ccc(OC(C)=O)cc1)NC(=O)CNC(=O)c1ccc(Cl)cc1 1861493264 WYPYYXSETHONRF-HXUWFJFHSA-N 457.914 2.025 30 10 JEEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1862602854 MANVKWHBVNCLLG-WLRWDXFRSA-N 456.407 2.031 30 10 JEEE COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCNC(C)=O)cc1OC 1862610370 IYZJLYMDMLEBSD-JOCHJYFZSA-N 482.489 2.189 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)Cn2cnc3c(nnn3Cc3ccc(C)cc3)c2=O)nc1C 1870104000 LXSDCKWOLQKFSD-UHFFFAOYSA-N 479.522 2.091 30 10 JEEE CCCCCCCOc1cn(CCNC(C)=O)c(CN2CCN(c3ncccn3)CC2)cc1=O 1870414390 NOEAKDIWXISEDD-UHFFFAOYSA-N 470.618 2.446 30 10 JEEE C#CCOc1cn(CCN2CCOCC2)c(CN2CCN(c3ccccc3Cl)CC2)cc1=O 1870561024 WFMSUEQEHOLTEH-UHFFFAOYSA-N 471.001 2.168 30 10 JEEE C=CCN=c1nc(N2CCN(CCO)CC2)[nH]c(=Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[nH]1 1871571858 PFAXZOWYLWMPBW-UHFFFAOYSA-N 491.440 2.209 30 10 JEEE C=CCN(CC=C)c1nc(=NCCNC(C)=O)nc(Nc2ccc(I)cc2)[nH]1 1871706250 VCIGTBGMUMGEIW-UHFFFAOYSA-N 493.353 2.368 30 10 JEEE Cc1nc(NC(=O)OC(C)(C)C)ncc1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2180991091 JJOOHCNTVMDZGI-UHFFFAOYSA-N 456.312 2.474 30 10 JEEE CC(C)(C)OC(=O)NCc1nc(=NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)s[nH]1 2255659126 NTXVJHKGHJALBH-UHFFFAOYSA-N 450.326 2.129 30 10 JEEE CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1CNc1nccc(B2OC(C)(C)C(C)(C)O2)c1F 2266053080 XAUZWKDZAKFMCO-HNNXBMFYSA-N 450.364 2.483 30 10 JEEE CC1(C)OB(c2csnc2C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)OC1(C)C 2266991884 LZUANHSOGFBAAE-GOSISDBHSA-N 457.405 2.463 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCCOCCNC(=O)OC(C)(C)C 2267132976 WYKYEGZEBSXURC-UHFFFAOYSA-N 469.413 2.412 30 10 JEEE CCO[C@@H]1C[C@H](NC(=O)OC(C)(C)C)[C@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2267158073 GCMOPKVCCJMUQY-JGGQBBKZSA-N 467.397 2.243 30 10 JEEE CC(C)C[C@H](CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)NC(=O)OC(C)(C)C 2267181436 SFCGTQQELUFUMO-OAHLLOKOSA-N 450.389 2.389 30 10 JEEE CC1(C)OB(c2nscc2C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)OC1(C)C 2267192594 SYDXETADGSRMMW-GOSISDBHSA-N 457.405 2.463 30 10 JEEE C[C@H](N(Cc1ccccc1)S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)C(C)(C)O 2267709376 AOUKLJOPQCWMLF-INIZCTEOSA-N 463.409 2.070 30 10 JEEE C[C@H]1CC[C@H](NC(=O)C(F)(F)F)CN1S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2267711406 KRCGVVVKKCESLK-RYUDHWBXSA-N 482.355 2.267 30 10 JEEE CC1(C)OB(c2cncc(S(=O)(=O)NC[C@@H]3CCCN3Cc3ccccc3)c2)OC1(C)C 2267715447 XODHUVFLENNYQC-FQEVSTJZSA-N 457.405 2.324 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)OC(C)(C)C)s1 2268637213 KTCDBLHTUQIMLG-ZBFHGGJFSA-N 466.409 2.342 30 10 JEEE N#Cc1ccc(NS(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)c(Br)c1 2270538172 WSFSPJHLOWYASB-MRXNPFEDSA-N 482.312 2.442 30 10 JEEE Cc1cnc(C(=O)N2CCC[C@@H](CNC(=O)C(F)(F)F)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2281948986 DGVGMYTUSGWCAA-AWEZNQCLSA-N 455.286 2.220 30 10 JEEE Cc1nn(C)c(C(=O)NCCC2(C)CN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2281991776 FXGSNKRLQQWROU-UHFFFAOYSA-N 462.400 2.405 30 10 JEEE C[C@@H]1C[C@@H](NC(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CCN(C(=O)OC(C)(C)C)C1 2282034742 MFSPBLCLYSCBRA-CVEARBPZSA-N 462.400 2.485 30 10 JEEE CC1(C)OB(c2cc(F)ccc2C(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)OC1(C)C 2282398205 XQMTZGQPOXLOHU-RUZDIDTESA-N 454.351 2.492 30 10 JEEE Cc1nn(C)c(C(=O)N[C@]23CC[C@H]2CN(C(=O)OC(C)(C)C)C3)c1B1OC(C)(C)C(C)(C)O1 2282564167 QGMSYPMWFGNWBK-WNSKOXEYSA-N 460.384 2.157 30 10 JEEE Cc1c(C(=O)NC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282581082 CFHHBLNZLHBGQS-MRXNPFEDSA-N 462.400 2.405 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@H](C(=O)NCCc2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2283950724 OCNHXUDCXRFQOF-IBGZPJMESA-N 460.380 2.280 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)NCCc1ccccc1B1OC(C)(C)C(C)(C)O1 2283973134 UMCSCUYUUVJSNE-HKUYNNGSSA-N 460.380 2.015 30 10 JEEE C[C@@H](NC(=O)[C@@H](CCC(N)=O)NC(=O)OC(C)(C)C)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2284148050 PLWQWLYMRNCIOH-UKRRQHHQSA-N 481.424 2.383 30 10 JEEE Cc1ccnc(C(=O)N[C@H](C(=O)O)[C@@H](C)OCc2ccccc2)c1B1OC(C)(C)C(C)(C)O1 2284430799 ZVNLHEKOUAWXAR-APWZRJJASA-N 454.332 2.478 30 10 JEEE CC(C)(C)OC(=O)NC1(C(=O)NCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2F)CC(O)C1 2285155553 IEXXQMQFXBEICQ-UHFFFAOYSA-N 464.343 2.159 30 10 JEEE CN(C[C@@]1(O)CCCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)C1)C(=O)OC(C)(C)C 2286340530 YWCXDFPVZFSPOS-QHCPKHFHSA-N 464.368 2.413 30 10 JEEE COC[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)N(C(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)C1 2289506887 MGAJSMXQIHZYBV-CABCVRRESA-N 481.424 2.444 30 10 JEEE CN(C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1)[C@@H]1CN(C(=O)OC(C)(C)C)CC1(C)C 2289957795 OIBSRWZCGZZBSW-MRXNPFEDSA-N 462.400 2.437 30 10 JEEE Cc1nc2c(C)cccn2c1C(O)=C1C(=O)C(=O)N(CCN2CCOCC2)[C@@H]1c1cccnc1 2296935723 BHSPWXDEHSAIIP-OAQYLSRUSA-N 461.522 2.100 30 10 JEEE Cn1ccc(C(=O)N2C[C@H](C(N)=O)[C@@H](C3CCN(c4ccc(C#N)c(C(F)(F)F)c4)CC3)C2)n1 2297650535 OYKMULBCOQCPQH-MSOLQXFVSA-N 474.487 2.401 30 10 JEEE CC(=O)NCc1nnc(SCC(=O)NCc2ccco2)n1N=Cc1ccc(Cl)c([N+](=O)[O-])c1 2330749910 FPRCRHMBEYVSFH-UHFFFAOYSA-N 491.917 2.360 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](OCCNC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C1 2337394849 RHDRJZKYADJRHB-AWEZNQCLSA-N 467.397 2.198 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 2362344740 WDPQEPNSEZVFBW-UXHICEINSA-N 450.392 2.313 30 10 JEEE COc1ccc(C(=O)CSc2nnc(N/N=C/c3cc(OC)c(O)c([N+](=O)[O-])c3)n2N)cc1 21326796 LZNIDSNZBUFWHK-ZVBGSRNCSA-N 473.471 2.044 30 10 JEEE C#CCOC[C@@H](O)CN(CCOC)CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(F)c1 36309571 XSAWIFCLLBFUCS-REWPJTCUSA-N 490.597 2.351 30 10 JEEE C=CCNC(=O)[C@@H](C)Sc1n[nH]c(N/N=C/c2ccc(OC)c(OCn3cccn3)c2)n1 59817942 SYINBXFKOLBPQT-LVCXCXRVSA-N 456.532 2.275 30 10 JEEE C=CCNC(=O)Cn1c(=CC(=O)c2ccc(C(C)(C)C)cc2)sc(=Cc2ccccn2)c1=O 254309752 ZBNVRVUZDDWDRP-UHFFFAOYSA-N 461.587 2.397 30 10 JEEE COc1ccc(N2CCCC2=O)cc1S(=O)(=O)N[C@H]1CCCN(C(=O)c2cccc(C#N)c2)C1 586078958 CHYUDDWOVBPMAO-IBGZPJMESA-N 482.562 2.277 30 10 JEEE CCCNC(=O)C(C#N)=c1sc(=Cc2cc([N+](=O)[O-])ccc2Cl)c(=O)n1CCc1cccnc1 727814137 LEQACKKVXMLBOJ-UHFFFAOYSA-N 497.964 2.138 30 10 JEEE CN(C)C(=O)CN/C(S)=C(/C(O)=C1C=CC(=NS(C)(=O)=O)C=C1)[n+]1ccc(C(C)(C)C)cc1 728556263 GUPLAEQESMKVEF-UHFFFAOYSA-O 491.659 2.344 30 10 JEEE CC(=O)c1ccc(S(=O)(=O)N(C)C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 916983028 UBXCGKRSEZXFIH-UHFFFAOYSA-N 489.575 2.009 30 10 JEEE COc1cc(C=NNc2nnc(SCC(=O)Nc3cc(C)ccc3C)n2N)cc([N+](=O)[O-])c1O 1084140422 VDJGJMVSLYJYAC-UHFFFAOYSA-N 486.514 2.408 30 10 JEEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCn3c(Cc4ccccc4F)nnc3C2)cc1 1144940365 NYUZEFJNCAFOFF-UHFFFAOYSA-N 455.515 2.128 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ccc(NC(N)=O)cc1 1286298123 FWQIAYZXGHOIJT-QGZVFWFLSA-N 459.558 2.449 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC)n2C[C@H]2CCCN2c2cc(NC)ncn2)c1 1286311900 RLYMOIUMZDGBOH-HXUWFJFHSA-N 473.585 2.397 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CC[C@@H](OC)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1286384483 RAHZPDCVYRZJGE-QZTJIDSGSA-N 481.500 2.411 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H](C)CNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1286386766 HELBSIRDYKHBQR-DLBZAZTESA-N 476.603 2.061 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1CC1([S@@](C)=O)CCC1)[C@H]1CCS(=O)(=O)C1 1286387659 STQPXRBPUFJTGM-YVGXBJCXSA-N 460.625 2.181 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1c[nH]c2cccc(C)c12 1286448455 VFGMJIIRUPGUDP-FQEVSTJZSA-N 470.599 2.103 30 10 JEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CCc1ccc(NC(C)=O)cc1 1286462195 GHSUULXZCLWBJA-UHFFFAOYSA-N 464.526 2.293 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(Br)c3)n2CCNC(=O)c2ccco2)CC1 1286473592 ULSXQYHTZRKLBY-UHFFFAOYSA-N 483.370 2.486 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cc(-c3ccccc3)no2)CC1 1286485286 IFZWCTWKYOUMGW-UHFFFAOYSA-N 475.553 2.085 30 10 JEEE C=C(Br)Cn1c(-c2cccc(C)n2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1286537747 CUHQDTDDPACFRH-UHFFFAOYSA-N 474.407 2.302 30 10 JEEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H](N1CCOCC1)C(F)(F)F 1286723002 XQDKJTAZDCRCDK-KRWDZBQOSA-N 477.491 2.077 30 10 JEEE C=CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1CC1CCN(C(C)=O)CC1 1286768807 IOHXQHIUPALRQJ-UHFFFAOYSA-N 451.575 2.414 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1286784158 XNSPSIGIGIHDPH-MZNJEOGPSA-N 471.558 2.039 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCCN(c2ccc(OC)cc2)CC1 1286820677 PAAFYTWNMJEDGJ-IBGZPJMESA-N 475.615 2.108 30 10 JEEE C[C@@H](CN1CCCC1)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(S(C)(=O)=O)CC1 1288695809 DSZIIBZESPUCOK-IBGZPJMESA-N 486.642 2.474 30 10 JEEE CNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCCS2)CC1 1299287698 BKJBSCDRRQZOPQ-LJQANCHMSA-N 455.588 2.476 30 10 JEEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@H]1c1nncn1C 1300345488 YNXOSTQIHNFLNH-FQEVSTJZSA-N 482.614 2.469 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCO[C@@H]1CCCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1300496622 SNBIJQBGCNFDCE-MTQWCTHYSA-N 450.605 2.004 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC1(O)CC(OCC)C1 1300527400 GYWMGYXPTNUBRP-UHFFFAOYSA-N 474.565 2.068 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Oc1ccc(C)cc1 1300806465 WAWIBOCYYAZGLM-ZILOHOTNSA-N 487.626 2.379 30 10 JEEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2cccc(Cl)c2)CC1 1301016822 BZAABXCNRGCIPZ-CQSZACIVSA-N 487.413 2.257 30 10 JEEE C=CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1301459001 NTRBENOTWFAZFT-UHFFFAOYSA-N 453.595 2.222 30 10 JEEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1301507913 BCHNMLNSUGKQHA-RUZDIDTESA-N 469.586 2.148 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1301510062 RYNXEGYWZDBDRP-WOJBJXKFSA-N 452.559 2.024 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)O[C@H](c2ccsc2)C1 1301568653 VVLGMGKNNGXYSS-WMZOPIPTSA-N 479.628 2.143 30 10 JEEE CC[C@@H](C)N(C)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2C#N)CC1 1305613711 HGNGMZOCSFAPMJ-UYAOXDASSA-N 450.591 2.158 30 10 JEEE CN(C)C(=O)COc1cccc(Cn2c(Cc3ccncc3)nnc2N2CC[C@@](F)(C#N)C2)c1 1314644870 ATNBPYXDTOYMDU-XMMPIXPASA-N 463.517 2.221 30 10 JEEE COCC[C@@](C)(O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1315970037 HPUZVBHIKDKDFE-XMMPIXPASA-N 462.558 2.029 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCN(CCC)C1 1358877083 WXFXKLJXHKINLQ-OALUTQOASA-N 458.632 2.385 30 10 JEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCCN(C(=O)C2CC2)CC1 1358922892 VZBJUKCSJJLLSW-UHFFFAOYSA-N 484.626 2.058 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1CCCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1358959842 QRUDFOCKAXIALF-IBGZPJMESA-N 457.600 2.066 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1cccnc1-n1cccn1 1359019684 CMKAZNNYLWFVBJ-UHFFFAOYSA-N 491.577 2.064 30 10 JEEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2CCCO[C@H]2CCOC2)CC1 1359038577 AZPVSTXIICSMHX-QFIPXVFZSA-N 453.587 2.425 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2ccc(C[S@@](C)=O)cc2)CC1 1359044739 NEXFWQHGAMVYMI-XSJBNIOMSA-N 483.638 2.412 30 10 JEEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1359127806 ASBVSCKYBAKPML-XMMPIXPASA-N 489.642 2.242 30 10 JEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)c2ccccc2F)CC1 1359132047 LMSGVFIBOVYULU-HXUWFJFHSA-N 470.549 2.314 30 10 JEEE C=CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCc2ccc(S(N)(=O)=O)cc2)CC1 1359172776 HQGMTRJXVJUBLZ-UHFFFAOYSA-N 481.582 2.218 30 10 JEEE C=CCC(C)(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CCS(C)(=O)=O 1359184065 BCSWQMKMAQFBFF-UHFFFAOYSA-N 454.618 2.432 30 10 JEEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@@H](C)c2nccs2)CC1 1359216061 OCLHGDPDCFBQMY-DLBZAZTESA-N 450.634 2.486 30 10 JEEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1359290926 WOCBNBRYFCWYLN-IRXDYDNUSA-N 473.578 2.303 30 10 JEEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1359301205 UZWPGOITEOLRRK-AZUAARDMSA-N 487.649 2.368 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1359309733 CGBDQWWTFPXLMK-WMZOPIPTSA-N 454.531 2.119 30 10 JEEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1359337056 IZJYPTMDPBUABI-GOEBONIOSA-N 453.638 2.055 30 10 JEEE C=CCn1nc(C)c(-c2cc(C(=O)N(Cc3cccnc3)[C@@H]3CCS(=O)(=O)C3)n[nH]2)c1C 1465392779 OJEIWQALCLGWRS-GOSISDBHSA-N 454.556 2.301 30 10 JEEE CCC(O)(CC)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1497431193 HIESUZPWVONOHI-HXUWFJFHSA-N 452.559 2.195 30 10 JEEE CO[C@]1(Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CC[C@@](F)(C#N)C2)CCOC1 1504046392 DWWPBQFVJFRLDO-RTWAWAEBSA-N 462.913 2.109 30 10 JEEE COCCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1504744713 BVTSURLQXMPIBN-GOSISDBHSA-N 456.595 2.085 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1Cc1ccccc1CC)[C@H]1CCS(=O)(=O)C1 1507627300 RSXHDSUQJOVOSY-URXFXBBRSA-N 472.611 2.168 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@H]1CCC=CO1)[C@@H]1CCS(=O)(=O)C1 1507640392 RHFRKYUIGGKTNJ-QZTJIDSGSA-N 460.531 2.316 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCCS1 1507705904 IFPFLBXXSQYNBL-SFHVURJKSA-N 463.629 2.177 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2C[C@@H](C)N(CC)CC)CC1 1507734880 BDFQESMBOGIYFA-LJQANCHMSA-N 480.613 2.412 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCc2cc(C(F)(F)F)ccn2)CC1 1507737732 DVTXBXQTPUMCFR-UHFFFAOYSA-N 486.502 2.301 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(N(C)C)c(F)c2)CC1 1507738985 KCGBWSOZUWDXOX-HXUWFJFHSA-N 468.577 2.391 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2cc(C)cc(OC)c2)CC1 1507740305 KYOCVFAAJSRGFC-UHFFFAOYSA-N 475.597 2.471 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(Br)cc3)n2CCOC)CC1 1507741339 ZJQXSSFGURQIHV-UHFFFAOYSA-N 476.375 2.232 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)c[nH]2)n1CCNC(=O)c1cc[nH]n1 1507762094 UMINVAWGVVQJLK-LJQANCHMSA-N 457.336 2.181 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(O)(C(F)(F)F)CC1 1507791671 PNLBMWXQDREZIK-HZPDHXFCSA-N 457.497 2.389 30 10 JEEE C=C(C)COCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1507838047 JNQZRAUXFQCICO-RDPSFJRHSA-N 477.613 2.398 30 10 JEEE C=C(C)COCCn1c(-c2ccccc2OC)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1507841181 WXKFSRCDECUAFL-FQEVSTJZSA-N 468.558 2.313 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1507869081 RFZRIOUKBSKCMD-CVEARBPZSA-N 462.016 2.147 30 10 JEEE C=CCCOCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN2C(=O)OC[C@H]2C1 1507957826 WJBCCXAUHQXRNE-LJQANCHMSA-N 454.531 2.381 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CCC(N2CCNC2=O)CC1 1508137740 QQUVQDDHWDUEBU-UHFFFAOYSA-N 479.006 2.193 30 10 JEEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1Cc1ccnc(-n2cccn2)c1 1510111817 IDEQXXIMYSKCSJ-KRWDZBQOSA-N 476.566 2.315 30 10 JEEE Cc1nccn1CCn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1511620055 ASFDXSSLBAPSCU-IRXDYDNUSA-N 471.587 2.192 30 10 JEEE CCCC(O)(CCC)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1514347305 HKIVIJKEFOTJLJ-UHFFFAOYSA-N 468.606 2.341 30 10 JEEE CCCNC(=O)CCn1c([C@H]2CCOC2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1515071795 FMPDGKIIDWBFLK-QFIPXVFZSA-N 465.602 2.282 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1CCc1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1539226236 VYTQSOAVJSQIKC-SFHVURJKSA-N 459.597 2.405 30 10 JEEE C#CCN(CC)c1nnc(-c2cc(Br)cn2C)n1C[C@H]1CCCS(=O)(=O)C1 1539346110 BAAOKWYXFDVZEP-CQSZACIVSA-N 454.394 2.330 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@]2(O)CCO[C@@H]2C)CC1 1539470414 ORWGCBKBXJLDBR-IQGLISFBSA-N 451.571 2.013 30 10 JEEE C=C(C)COCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCO[C@@H](C)C1 1539757986 GCQGZUWIVALEPY-QFIPXVFZSA-N 454.619 2.461 30 10 JEEE C#C[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1)C1CCOCC1 1539808203 POBORJHEXLEFOA-DOXZYTNZSA-N 454.976 2.296 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC[C@H](NC(=O)CC)C1 1540869753 VQBHMQKCUGWNNJ-SFHVURJKSA-N 463.542 2.397 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 1540872565 SRXFGAHFPALROF-IBGZPJMESA-N 481.557 2.264 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 1540873222 RJHOAZIMSVUHKE-IBGZPJMESA-N 469.590 2.402 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N(CCO)Cc1ccc(F)c(Br)c1 1540876389 PQWGKSOWMWAZKD-QGZVFWFLSA-N 482.354 2.332 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCN2CCSCC2)C1 1540884712 UCCCKTLEFLWESM-SIKLNZKXSA-N 451.637 2.149 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc4ccccc4n3)n2CCS(=O)(=O)N(C)C)C1 1540886565 FYEGPOFBSTZRJF-SFHVURJKSA-N 456.572 2.166 30 10 JEEE CCOc1ncccc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1548008929 DNJGGYSPJYASFG-NRFANRHFSA-N 461.526 2.000 30 10 JEEE COCCN1C[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N(C)C[C@@H]2CCCOC2)CC1=O 1555573917 DBRKRGYGLQOZRO-PMACEKPBSA-N 452.559 2.174 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCN1CCC[C@H]1C(=O)N(C)C 1587604759 YPOGCEOZCYJLLM-QUCCMNQESA-N 466.586 2.117 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3csc(C)n3)n2C[C@@]2(O)CCO[C@H]2C)c1 1587697606 UVFFVNORJHVNEW-FYSMJZIKSA-N 480.594 2.230 30 10 JEEE C#CCN(c1nnc(COc2ccccc2CC)n1C[C@@H]1CC(F)(F)CO1)[C@H]1CCS(=O)(=O)C1 1588069610 REUKDZGQUDGVQX-OALUTQOASA-N 494.564 2.470 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@H]1CC(=O)N(CCOC)C1 1588309791 DPQVUROJVKMONL-LJQANCHMSA-N 491.596 2.190 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCCN(C)S(=O)(=O)CC)CC1 1588780285 KXNQWXGUQWADAX-UHFFFAOYSA-N 495.049 2.034 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC2([S@@](C)=O)CCC2)CC1 1588791515 XTYCHUFDINPZPB-JGCGQSQUSA-N 457.600 2.019 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@@H]2CCCCN2CCC)CC1 1588954638 JSXFXZLLOSHGHR-QHCPKHFHSA-N 463.630 2.494 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CC2=CCN(C(=O)OC(C)(C)C)CC2)CC1 1588969220 XXJNCEGTZIZLHI-UHFFFAOYSA-N 486.617 2.348 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 1593747254 SPKDDCJIBAVMIP-ZWKOTPCHSA-N 483.635 2.266 30 10 JEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC(=O)Nc1c(C)cccc1C 1594733124 NONDBKGEFOAWOJ-IBGZPJMESA-N 490.630 2.269 30 10 JEEE C=CCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CC(=O)N(C)C[C@@H]1C 1594752731 PGYSOCILVKRCFN-NRFANRHFSA-N 451.619 2.276 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cnn(CC(C)C)c2C)C1 1595721419 FZUBPHUTSCKEHF-AZUAARDMSA-N 462.620 2.171 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 1595799042 WCEOISSFDYGJER-HXUWFJFHSA-N 491.589 2.108 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1595824146 WYJDRYOMKQZJRN-HXUWFJFHSA-N 487.626 2.276 30 10 JEEE C[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N2CCOCC2)C[C@@H]1C 1612861776 DOKPONDSKILWMT-OALUTQOASA-N 452.559 2.460 30 10 JEEE C=CCn1c(SCC(C)(C)CO)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 1613303620 OIXYLZQARIEXSC-UHFFFAOYSA-N 452.602 2.263 30 10 JEEE C=C(CCC(=O)OC)C(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)C1 1636458110 XJYDUDSLQKOYLT-ZWKOTPCHSA-N 451.564 2.250 30 10 JEEE CC(C)(C)OC(=O)N1CCN(CC(=O)N2CCC(B3OC(C)(C)C(C)(C)O3)CC2)C(=O)C1 1644720928 HHUKQHWRONYTQE-UHFFFAOYSA-N 451.373 2.151 30 10 JEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H](C(=O)Nc3ccccc3OC)C2)c1 1646111467 HZABLOJETXBQNM-GOSISDBHSA-N 455.536 2.098 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(C)n(C)c1=O 1689853888 ZWVICUPRYIOSRM-LPHOPBHVSA-N 470.574 2.100 30 10 JEEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(OC)c(Br)c1 1689966301 OTQPOMIEFRXVHG-HNNXBMFYSA-N 467.389 2.263 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ccc(OC(F)(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 1689988106 JEKROFDUKAZSHN-MRXNPFEDSA-N 492.483 2.309 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCOc1c(C)cccc1C)[C@H]1CCS(=O)(=O)C1 1689989612 HGTBVJVIBBDFKO-SFTDATJTSA-N 472.611 2.495 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1cc(C)cc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1689991779 CGCGHVWQGLPVOV-OAQYLSRUSA-N 465.579 2.256 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@@H]1CCO[C@H]1C(=C)C)[C@H]1CCS(=O)(=O)C1 1689992065 GPXWSENRCXDUAR-HFMPRLQTSA-N 484.622 2.485 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@]1(O)CCSC1 1690107751 ANGGVDUNWRXTOV-JTSKRJEESA-N 465.620 2.304 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCN1CCOC[C@@H]1C 1690107875 GMXASWHMMRBBKO-PMACEKPBSA-N 476.622 2.157 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2Cc2ccc3c(c2)OC(C)(C)O3)CC1 1690112094 PNOLQILXEASVPP-SFHVURJKSA-N 455.559 2.313 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccnc(OC(F)F)c2)CC1 1690113667 QAMQCRSETAODDX-HSZRJFAPSA-N 476.528 2.119 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2CCO[C@H]2C(=C)C)CC1 1690114731 FOLLJGRURDBQNF-UNMCSNQZSA-N 469.611 2.085 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)CC1 1690146065 DXBVOWQDBVGNJL-QUCCMNQESA-N 488.633 2.393 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1690156371 WNBYOZZFQSMCNE-SFHVURJKSA-N 467.599 2.034 30 10 JEEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1690160080 WPPPISZSGHHOOG-GOSISDBHSA-N 489.667 2.408 30 10 JEEE C=C(Br)Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1690232177 BHBJNWAQAGVXII-DLBZAZTESA-N 451.369 2.433 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)C[C@@H](C)C1 1690244959 BCIPIHHGJOTFLJ-UEDWAMCQSA-N 467.636 2.075 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC(OC[C@@H]2CCCCO2)CC1 1690672928 IIPLOJBZHQOKKM-NRFANRHFSA-N 454.575 2.121 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1690675669 BFBLOZWCJDXOBS-QGZVFWFLSA-N 473.921 2.082 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1690726444 AFHVRFAQCKMIBJ-LJQANCHMSA-N 465.664 2.301 30 10 JEEE CO[C@H]1CCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1697647042 CNWAWRPTYNWVCY-QUCCMNQESA-N 458.588 2.150 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](Oc2ccccc2Cl)C1 1705534406 HPZXCVGIGRBPQS-FXAWDEMLSA-N 494.017 2.336 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCc1ccc(OC)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1705566558 PCMNVQMKRAHEEA-QGZVFWFLSA-N 457.531 2.290 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CC[C@H]1C[C@H](F)C1)[C@@H]1CCS(=O)(=O)C1 1705568678 SPXXIQBOOLTZKI-VAMGGRTRSA-N 471.558 2.494 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@H]1CCCN(CC(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1705569939 LLCAYOYDIVKEIP-XZOQPEGZSA-N 484.670 2.259 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(COC(C)(C)C)c1 1705583013 OQDLCUMWTCUFKY-JOCHJYFZSA-N 499.637 2.047 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCN1CC 1705583037 PETVAKIWPQITEB-UXHICEINSA-N 456.591 2.144 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccc(Br)cc2)n1CCCc1cnn(C)n1 1705585713 JBUKSEPBVREIKE-UHFFFAOYSA-N 468.359 2.454 30 10 JEEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](C)N1CCN(CC)CC1 1705612612 KOGAPNLHGKPADJ-LEWJYISDSA-N 489.665 2.072 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H]2CCCN(CC(C)C)C2)CC1 1705631827 ANVCVBOPNCRXNQ-NRFANRHFSA-N 457.667 2.320 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CCCN2CCCO[C@H](C)C2)CC1 1705646908 STXTXSVNYRDPHW-HXUWFJFHSA-N 468.602 2.313 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC(Cn2cncn2)CC1 1705897906 WQULXYWQNIKEQC-KRWDZBQOSA-N 468.537 2.368 30 10 JEEE C=CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@@H](C(=O)NC)C1 1705943621 GPPNNLLESWFLOP-MRXNPFEDSA-N 477.660 2.120 30 10 JEEE C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C(N)=O)C1)N(C)C(=O)OC(C)(C)C 1706782781 DSNHKBZSFYPPJC-CRAIPNDOSA-N 453.547 2.384 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H](C)CN1CCCCC1 1722380495 NXKKOPDOKRXBSX-HXUWFJFHSA-N 457.582 2.387 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1Cc1cccc(CN2CCOCC2)c1 1722429681 VBDZLLUXTCLZBH-QHCPKHFHSA-N 453.587 2.486 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2CCN2CCC[C@@H]2C)CC1 1722442914 IFKYSTKSYZNZGJ-IBGZPJMESA-N 450.587 2.404 30 10 JEEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CCN(c2cnn(C)c2)CC1 1722460907 MQVUXRRIJDMVDI-UHFFFAOYSA-N 451.600 2.304 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCn2cc(C)nc21 1722517905 PEYXTKQYAJVHKH-OALUTQOASA-N 477.635 2.096 30 10 JEEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 1722608155 WPMHQTISWSMRFP-UHFFFAOYSA-N 472.615 2.381 30 10 JEEE C=CCCOCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1722624425 AAQDDXLOHPECBF-UHFFFAOYSA-N 484.557 2.076 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccccn2)n1CC1(O)CCS(=O)(=O)CC1 1722652322 CQRZWDAZPSJYRS-UHFFFAOYSA-N 483.594 2.481 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1722695268 YGWJUEZGAUWOAX-WOGXIUBCSA-N 471.558 2.037 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCC(C(=O)N2CCCC2)CC1 1722729603 QPIMWZNYBXXSTH-UHFFFAOYSA-N 492.671 2.073 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H](c2ccco2)C1 1722737237 XSGXWTHZLAENKS-LNLFQRSKSA-N 450.561 2.190 30 10 JEEE CCN(CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(NS(=O)(=O)CC)CC1)C1CC1 1728503835 ABVMKEVMMNKNPT-UHFFFAOYSA-N 471.631 2.209 30 10 JEEE CCNC(=O)c1ccc(Cn2c(C(=O)NC(CC)CC)nnc2N2CC[C@](F)(C#N)C2)cc1 1728657762 GURQEMSMTLEXCO-QHCPKHFHSA-N 455.538 2.436 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2C[C@@H]2CCCN2CCCO)c1 1740565009 GKDUKTSAQWHHNC-FCHUYYIVSA-N 466.586 2.033 30 10 JEEE C#CCCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1740577307 ZEJRPEYOPBEWQI-QHCPKHFHSA-N 484.670 2.070 30 10 JEEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2cccc(OCC)n2)CC1 1740580525 AOEWBLNEXONHGA-UHFFFAOYSA-N 460.542 2.459 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccc(C)cc1OCC)[C@H]1CCS(=O)(=O)C1 1740626606 MHYSKOGGISGMFK-UXHICEINSA-N 458.584 2.164 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C)[C@H](C)C1 1740759147 AEDGPEXLRNEBLL-MDMHHNQBSA-N 467.636 2.075 30 10 JEEE C=C(C)COCCn1c(N2CCC3(CCN(C)C3=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1740799817 XEGDBCLRJZIBIK-XMMPIXPASA-N 461.607 2.360 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)c1nccs1)C1CC1 1740909954 DXDLTHJEPOPYKJ-ZBFHGGJFSA-N 452.606 2.026 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1740954603 BXOBPRIUDNFJBM-KRWDZBQOSA-N 470.574 2.102 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1740954643 QFCLRPJVLUGFNL-OAQYLSRUSA-N 473.375 2.177 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CCCOc1ccccc1)[C@H]1CCS(=O)(=O)C1 1748819352 NOBKRDSONSLEPB-NRFANRHFSA-N 465.579 2.360 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H](C)N1CCC[C@H](C)C1 1748957131 WBTVKGKLGPSNAC-PMACEKPBSA-N 463.590 2.127 30 10 JEEE C#CCN1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCCOCC(F)F)CC1 1748986513 BDLWDCHNVFVLTJ-UHFFFAOYSA-N 457.485 2.021 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC(C)(C)COCC)CC1 1748989064 DLCYETYOCLYDMZ-HXUWFJFHSA-N 490.649 2.404 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2Cc2ccc(OC)nc2)CC1 1749015304 CFKVTCVSIOCSOW-UHFFFAOYSA-N 458.566 2.481 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc(-n2cccn2)cc1 1749054490 UAACDYIFNZKGHX-FDDCHVKYSA-N 467.599 2.309 30 10 JEEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 1749456902 NAYMAOATNAMKHK-IBGZPJMESA-N 458.538 2.296 30 10 JEEE C=CCn1c(N2CCN(CC(=O)N[C@@H]3CCC[C@@H](C)C3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1749646171 NROAWTMDAVLEKO-DNRQZRRGSA-N 474.650 2.322 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1C[C@H](C)O[C@H](COC)C1 1749652368 MGXIXBOVRKXWBP-YOEHRIQHSA-N 464.364 2.250 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N(C)C[C@H](c1cccs1)N1CCOCC1 1749663891 BBENFLLJQVSCAO-LJQANCHMSA-N 467.599 2.214 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(CC)[C@H](C)C1 1749725950 WJKJTOWXERHIPM-QGZVFWFLSA-N 463.604 2.094 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CCOc1ncccc1F 1750967708 GZVZEDGORYSFIC-UHFFFAOYSA-N 492.559 2.223 30 10 JEEE C#C[C@H](C)N(C)c1nnc(Cc2c[nH]c3ccccc23)n1CCS(=O)(=O)N1CCSCC1 1760119423 ZTSLLORYTAFVEU-KRWDZBQOSA-N 472.640 2.187 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCCN(C(C)C)C2)c1 1760128793 SNCQXIGWLIHOAP-IRLDBZIGSA-N 477.613 2.406 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(C)cc1F)[C@H]1CCS(=O)(=O)C1 1760182103 GNIGJMDJVBBGEJ-SFHVURJKSA-N 482.541 2.048 30 10 JEEE C#CCN(c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCC(=O)NC)[C@@H]1CCS(=O)(=O)C1 1760183143 MWTPNGFQROPLMS-LJQANCHMSA-N 457.600 2.005 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@@]1(C)CCCO1)[C@H]1CCS(=O)(=O)C1 1760185807 DVQSDRXCHFEZIR-KSFYIVLOSA-N 464.538 2.343 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1CC1)[C@H]1CCS(=O)(=O)C1 1760190039 XNVOYQZZXSAMRJ-MOPGFXCFSA-N 477.631 2.429 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCc1n[nH]c(C)n1 1760216586 TXWPHVLDKYQPRJ-UHFFFAOYSA-N 469.553 2.368 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCCCN1CC 1760247985 WUUDRSZPELNZHA-IBGZPJMESA-N 463.586 2.152 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCCO[C@H]2C(C)C)CC1 1760252938 YIZWOYZBQZSULV-FPOVZHCZSA-N 451.575 2.132 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCCN2CCC(C)CC2)CC1 1760270601 ZVJJQHZPZSCULN-JOCHJYFZSA-N 456.635 2.260 30 10 JEEE C=C(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1760348121 SZLAMKMXPPLNGJ-UHFFFAOYSA-N 463.586 2.439 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 1760358011 QLWKXGHGQWBNEZ-HXUWFJFHSA-N 457.550 2.405 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2sccc2C)CC1 1760402547 NAHHOWFBNFVMNS-KRWDZBQOSA-N 451.618 2.432 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1760411705 QJTSPVZGMHWYAU-UYAOXDASSA-N 471.650 2.401 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc3ccccc3o2)nnc1N1CCC(S(=O)(=O)CC)CC1 1760517166 FMNXYZSZTPKBJH-UHFFFAOYSA-N 457.556 2.397 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN([C@@H](C)c2ccc(F)cc2F)CC1 1760522525 VPYWDQCUZPVJSG-DLBZAZTESA-N 460.529 2.246 30 10 JEEE Cc1ccc(C)c(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@H](N2CCOCC2)C(F)(F)F)c1 1761728818 DTAFMNIGTDNVRT-QUCCMNQESA-N 494.518 2.466 30 10 JEEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCO[C@@H]2C(C)C)CCO1 1769239786 BRLARFCNYGPFRX-PCCBWWKXSA-N 452.559 2.219 30 10 JEEE C=CCNC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccccn1)C2=O 1861513727 UJMJHNMNLQKLDW-HSZRJFAPSA-N 484.512 2.227 30 10 JEEE CC[C@H](C)[C@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O 1869935017 YPALPDGOFJVVHV-SGTLLEGYSA-N 454.508 2.004 30 10 JEEE C=CCN(CC=C)c1nc(NC(=O)COc2ccccc2OCC)n([C@@H]2CCS(=O)(=O)C2)n1 1870004722 IXVODZLLVNCFIK-QGZVFWFLSA-N 475.571 2.232 30 10 JEEE C=CCN=c1nc(N2CCN(c3ccc(F)cc3)CC2)[nH]c(=Nc2cccc([N+](=O)[O-])c2)[nH]1 1871518044 OOWFWZQRMLEEDP-UHFFFAOYSA-N 450.478 2.431 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)COc2nonc2C(=O)Nc2ccc(OC)cc2)nc1C 1872692152 YUYLQLYHEAAINL-UHFFFAOYSA-N 473.467 2.456 30 10 JEEE CCCCCCCCNC(=O)C1CCN(C(=O)[C@@H]2CC(=O)N(CCCN3CCOCC3)C2)CC1 1872926456 PRVSVNZTUNEGJW-HSZRJFAPSA-N 478.678 2.273 30 10 JEEE CCOc1ccccc1OCc1nnc(SCC(N)=O)n1/N=C/c1ccc2c(c1)OCCO2 1874241288 YNHIKKOIDGJPTD-WYMPLXKRSA-N 469.523 2.487 30 10 JEEE CC(C)N1C(=O)CS[C@H](C(=O)Nc2cnc(N3CCN(C)CC3)nc2)[C@H]1c1ccc(C#N)cc1 1889421879 ZJSFUFDJNRKOII-YADHBBJMSA-N 479.610 2.132 30 10 JEEE CCCCN(C)S(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](Oc3nccnc3C#N)C2)cc1 1892197770 VOKMAFRJBRTYIW-GOSISDBHSA-N 457.556 2.452 30 10 JEEE CN[C@H](C#Cc1ccccc1Br)[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 2235730825 PDEXZMWMZLTZER-SJORKVTESA-N 457.390 2.423 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2247880955 OKXHKVXNSKUYAD-CYBMUJFWSA-N 458.411 2.335 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1COCCN1C(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2255704529 JCZBKGITTXXKNB-AWEZNQCLSA-N 452.382 2.413 30 10 JEEE Cc1cc(C(=O)NC2(CO)CN(C(=O)OC(C)(C)C)C2)sc1B1OC(C)(C)C(C)(C)O1 2255863509 XEJVMPKOVUBQDT-UHFFFAOYSA-N 452.382 2.067 30 10 JEEE C[C@@H](c1cc(B2OC(C)(C)C(C)(C)O2)cs1)N(C)C(=O)[C@H](CO)NC(=O)OC(C)(C)C 2256614885 PWHPXRQNFIOLJW-ZFWWWQNUSA-N 454.398 2.452 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)Nc1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)n1 2256623605 GBSOWFKJAPPADI-FZMZJTMJSA-N 455.748 2.247 30 10 JEEE Cc1nc(C(=O)N2C[C@@H](C)C[C@H](NC(=O)C(F)(F)F)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2267166838 YBRNXHGKWGBZKU-JQWIXIFHSA-N 461.315 2.280 30 10 JEEE Cn1nc(C(=O)NCC2(F)CN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2267501314 WFWKMTXJWDPUNA-UHFFFAOYSA-N 472.754 2.062 30 10 JEEE CC1(C)OB(c2nscc2C(=O)NC[C@@]2(O)CCCN(Cc3ccccc3)C2)OC1(C)C 2267541450 DIKIOYHWXZEFGC-QHCPKHFHSA-N 457.405 2.199 30 10 JEEE CC(C)(C)OC(=O)N1CC(CO)(NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2Cl)C1 2267684412 CKTXPFZCFWJMCX-UHFFFAOYSA-N 466.771 2.351 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@](CO)(C(=O)NCc2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2268652020 CYHLWIWGIUTXSA-JOCHJYFZSA-N 466.409 2.283 30 10 JEEE C=C(CN(C)C(=O)[C@@H]1CO[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O1)B1OC(C)(C)C(C)(C)O1 2268764322 AWYAMFGDJZRMSV-IKGGRYGDSA-N 452.357 2.036 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@@](O)(C(=O)NCc2sccc2B2OC(C)(C)C(C)(C)O2)C1 2268787122 SHSYZPODALFMMM-QFIPXVFZSA-N 466.409 2.426 30 10 JEEE Cn1cc(C(=O)N2CCC(F)(CNC(=O)OC(C)(C)C)CC2)c(B2OC(C)(C)C(C)(C)O2)n1 2281962479 ZRVZVLLOQZKAHP-UHFFFAOYSA-N 466.363 2.188 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](NC(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)C(C)(C)[C@H]21 2281979125 LPQVUBKEHDYTEB-COXVUDFISA-N 460.384 2.473 30 10 JEEE Cc1nn(C)c(C(=O)N2C[C@H]3CC[C@H]2CN3C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2281986262 PNRRDMRSSCQEJU-JKSUJKDBSA-N 460.384 2.252 30 10 JEEE CC1(C)OB(c2cc(C(=O)NC[C@]34CN(Cc5ccccc5)C[C@H]3CCO4)ns2)OC1(C)C 2282005553 QDWQZYZQUHWKPJ-KOSHJBKYSA-N 469.416 2.463 30 10 JEEE Cc1c(B2OC(C)(C)C(C)(C)O2)cccc1C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H](O)C1 2282113347 OWOFGFVJEXFOKZ-KRWDZBQOSA-N 460.380 2.348 30 10 JEEE CN(CCc1n[nH]c(NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)n1)C(=O)OC(C)(C)C 2282194895 FWIFGTVEDARGCE-UHFFFAOYSA-N 461.328 2.359 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C(F)F 2282485939 NIYMMLIHJROINS-FUHWJXTLSA-N 460.334 2.215 30 10 JEEE CCc1nc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2OC)c(B2OC(C)(C)C(C)(C)O2)s1 2282513817 VFVRBUUYBSUWNU-KGLIPLIRSA-N 481.424 2.369 30 10 JEEE Cc1c(C(=O)NC[C@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282543517 OZBILMGPHIMMHF-CVEARBPZSA-N 462.400 2.451 30 10 JEEE C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)CCN1C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2282577798 JZVXSAGCPCFGDY-CVEARBPZSA-N 462.400 2.485 30 10 JEEE Cc1ccnc(C(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)c1B1OC(C)(C)C(C)(C)O1 2282618599 NFSVKZMMUCFENS-VWLOTQADSA-N 451.376 2.056 30 10 JEEE COC(=O)[C@@H](CC(=O)NCc1sc(C)cc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2283931551 YRQKZUPQNOIXIB-OAHLLOKOSA-N 482.408 2.428 30 10 JEEE COC[C@@H](ONC(=O)OC(C)(C)C)C(=O)N1CCc2c(B3OC(C)(C)C(C)(C)O3)cccc21 2283946987 UXAFDYRKNNVXSN-GOSISDBHSA-N 462.352 2.346 30 10 JEEE CCN(C(=O)OC(C)(C)C)[C@@H]1COC[C@H]1C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2283961970 GOEKLARJZXVOCT-HZPDHXFCSA-N 481.424 2.331 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@](O)(CC(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2284017209 FBLSYODJVDVLFP-QFIPXVFZSA-N 465.331 2.220 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@H](C(=O)N3CCC(=CB4OC(C)(C)C(C)(C)O4)C3)O[C@@H]2C1 2284118411 KDKKRHIXQWZPTF-RCCFBDPRSA-N 464.368 2.180 30 10 JEEE COc1ccc(-c2[nH]n(-c3ccc([N+](=O)[O-])cc3)c(=O)c2C(C)=NCCN2CCNCC2)cc1 2293934539 DIIJGJVUORGPAL-UHFFFAOYSA-N 464.526 2.464 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2OCC[C@@]2(C(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)C1 2296391685 JYLBMPNWVXCMQW-QMHKHESXSA-N 459.352 2.345 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 2362352906 HKBJKOKLHYXCMK-OAHLLOKOSA-N 460.384 2.239 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC[C@H](CCNC(=O)OC(C)(C)C)C1 2362357627 PCGHLWMWQFHDQE-MRXNPFEDSA-N 462.400 2.486 30 10 JEEE CO[C@H](CNC(=O)OC(C)(C)C)CNC(=O)c1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1O 2365484968 VPYQAZPTVXELKX-ZDUSSCGKSA-N 468.331 2.100 30 10 JEEE CC1(C)OB(c2cc(NC3(C(N)=O)CCN(Cc4ccccc4)CC3)ncc2F)OC1(C)C 2371997755 FJCDGXBUPJRHFO-UHFFFAOYSA-N 454.355 2.452 30 10 JEEE Cn1c(=O)[nH]c(=O)c2c1nc(N/N=C/c1cc(Br)ccc1O)n2C[C@@H](O)c1ccccc1 38161206 NUTPIUCUABNLSB-GENGVREBSA-N 499.325 2.071 30 10 JEEE COc1ccc(CNc2nc3c(c(=O)[nH]2)[C@@H](c2ccc4c(c2)OCCO4)[C@H](C#N)C(=O)N3)cc1 72472367 IPTCJAUCQDXDFB-LPHOPBHVSA-N 459.462 2.386 30 10 JEEE CC[C@@]1(C)NC(=O)N(N=Cc2cc(C)n(-c3cccc(S(=O)(=O)N4CCOCC4)c3)c2C)C1=O 254756947 PDTIJAJUQJRGOK-HSZRJFAPSA-N 487.582 2.169 30 10 JEEE C[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)C(=O)NCc3ccc(C#N)cc3F)cc2)C1 609256654 BQBVVVCLXGYOGN-OAHLLOKOSA-N 458.515 2.373 30 10 JEEE CC(C)NS(=O)(=O)c1ccc(I)c(B2OC(C)(C)C(C)(C)O2)c1 725430090 XKACIFCSLIVTQY-UHFFFAOYSA-N 451.135 2.277 30 10 JEEE C#CCN(C(=O)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)[C@@H]1CCS(=O)(=O)C1 729331063 MOARGXRHASTTAH-GOSISDBHSA-N 466.968 2.403 30 10 JEEE C#CCN(C(=O)c1ccc(OS(=O)(=O)c2cc(C)ccc2C)cc1)[C@@H]1CCS(=O)(=O)C1 729331532 QHRPAGBBDVGBEK-LJQANCHMSA-N 461.561 2.334 30 10 JEEE C#CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](CCC(=O)OC)C(=O)O 757339523 IXLUVBIXHKCEAW-FGZHOGPDSA-N 478.501 2.440 30 10 JEEE CC1CCC(C#N)(N(C)C(=O)[C@@H](C)OC(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)CC1 912770623 DBNBMNLFDXYOEY-WIDWCQEQSA-N 466.538 2.242 30 10 JEEE CN(C)c1ccc([N+](=O)[O-])cc1C=NNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1 1084041797 BOEJFYGVYSYQJX-UHFFFAOYSA-N 478.487 2.036 30 10 JEEE CC(=NNc1nc(SCC(=O)NCc2nnc(C(C)C)o2)n[nH]1)c1ccc2c(c1)OCO2 1084640459 ZKPDECMSNVDBQA-UHFFFAOYSA-N 458.504 2.284 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(Br)cn2C)n1Cc1nnc2n1CCC2 1286418681 OHOKJTLDALMYQH-UHFFFAOYSA-N 453.348 2.095 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1c[nH]c2c(C)cccc12 1286431821 SDMJYBSJIBQUOM-QFIPXVFZSA-N 494.621 2.106 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1(COC)CCOCC1 1286438636 HBKBWAOXSHSLGJ-UHFFFAOYSA-N 484.626 2.144 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCS(=O)(=O)Cc2ccccc2)CC1 1286495125 XMKDQWWJRWTMAR-QFIPXVFZSA-N 499.637 2.101 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(CNC(C)=O)CC1 1286561735 GUTLTTGKTKKAJR-KJJMTIBFSA-N 461.607 2.336 30 10 JEEE C=CCCOCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1286713060 SWOKELQTEISQHQ-INIZCTEOSA-N 469.558 2.210 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC[C@H](C(F)F)C1 1286786253 AFDPIQWHBFPUJH-HNNXBMFYSA-N 471.512 2.459 30 10 JEEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2ccccc2F)C[C@@H]1C 1286791097 UKEPODBYWNGONI-KRWDZBQOSA-N 497.600 2.426 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)CCn2cccn2)cc1 1286797523 WUGWBHNOQAIOOZ-LJQANCHMSA-N 456.572 2.126 30 10 JEEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]2CCC[C@@H]21 1286831717 JOWRAIRFULTPLC-BZSNNMDCSA-N 455.650 2.299 30 10 JEEE CCC(CC)c1cc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@H](C)CC#N)on1 1291976629 DEVXZLCWPFCYDK-DNVCBOLYSA-N 479.607 2.289 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCOC[C@H]2C[C@@H](O)c2ccccc2)s1 1294563094 IBEINBDMKZOUGC-IEBWSBKVSA-N 450.582 2.106 30 10 JEEE CCCn1nc(-c2nnc(N(C)C[C@H](C)C#N)n2CCN2CCOC[C@H]2C)c2ccccc2c1=O 1294763524 DPGBZRDEXPOVJI-RTBURBONSA-N 478.601 2.382 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OCC)CCOC3)n2CCN2CCC[C@H]2C)c1 1300330953 FGSKTSWSNMNQIY-FQRUVTKNSA-N 480.613 2.471 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CC1(SC)CCOCC1)[C@H]1CCS(=O)(=O)C1 1300483243 JSJKWPNCEQFSBC-KRWDZBQOSA-N 464.613 2.385 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@@H]1CCC[C@@H]1OC)[C@@H]1CCS(=O)(=O)C1 1300499000 ONHREMURVVAGJN-VWPQPMDRSA-N 472.611 2.319 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@](C)(O)CCC)[C@H]1CCS(=O)(=O)C1 1300499856 YLUYYUOGKJBZAP-WMZHIEFXSA-N 460.600 2.055 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1CC(=O)Nc1c(C)cccc1C)[C@H]1CCS(=O)(=O)C1 1300504964 WRHQPLQARDPDNX-RBUKOAKNSA-N 471.583 2.012 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CC[C@H](F)C2)n1 1300676354 NISQIQMZLIOUGY-MOPGFXCFSA-N 457.554 2.135 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2CC(C)(C)C2)n1 1300681321 MTZVYSLXWDKUEK-LJQANCHMSA-N 474.631 2.099 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H](c2ccccc2)N(C)C)CC1 1300710607 IJJQBESDCLHWNW-ZRBLBEILSA-N 452.603 2.060 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2CCCCN2CCC)CC1 1300729370 XNILNIVORNYCLG-QHCPKHFHSA-N 480.661 2.370 30 10 JEEE C#CCSCCn1c(CC2CCCC2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1300768686 VSOIMFDMUOCEGA-DENIHFKCSA-N 458.676 2.366 30 10 JEEE C=C(Cl)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1301045367 WAKRVFNHFIEVPM-UHFFFAOYSA-N 465.385 2.448 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1301496472 BEZNRZDOTCEZFA-LJQANCHMSA-N 478.557 2.148 30 10 JEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2ccc(C)c(C)c2)CC1 1301509692 MCGOZVGPMDNKSX-UHFFFAOYSA-N 462.602 2.385 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCCN1CCC(O)CC1 1301952151 HPGMLTSLLARNBO-KRWDZBQOSA-N 474.009 2.304 30 10 JEEE Cc1ccc(OCc2nnc(N(CCC#N)CC3CC3)n2C[C@@]2(O)CCS(=O)(=O)C2)cc1C 1304404828 GBFBLNNBBBFTDP-QHCPKHFHSA-N 473.599 2.154 30 10 JEEE Cc1ccc(C)c(S(=O)(=O)N2CCN(S(=O)(=O)c3c(C)cc(F)cc3C#N)CC2)c1 1308997860 APPZTCUHUCIHBO-UHFFFAOYSA-N 451.545 2.318 30 10 JEEE CNC(=O)CCn1c(Cc2ccccn2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1315049369 AQJHMXSPUDLDKC-UHFFFAOYSA-N 464.961 2.252 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCC=CO1)[C@@H]1CCS(=O)(=O)C1 1358956176 BJJLXUXFQFFDNZ-HZPDHXFCSA-N 480.388 2.355 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@H](C)COC)[C@@H]1CCS(=O)(=O)C1 1358963169 CXJUOFODNMBIBS-JKSUJKDBSA-N 452.527 2.056 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CC(=O)Nc1c(C)cccc1C)[C@H]1CCS(=O)(=O)C1 1358964998 LTHHOWZMOFJTKT-NRFANRHFSA-N 492.605 2.146 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@H]1C[C@H](C)O[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1358965069 NGWHLQGRXKVWDL-KOUHRCEDSA-N 457.600 2.094 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1CC(C)(C)CCOC)[C@@H]1CCS(=O)(=O)C1 1358965254 QVYBPQOEPTUPNM-GOSISDBHSA-N 465.645 2.323 30 10 JEEE C#CCN(c1nnc(COc2ccccc2CC)n1Cc1cc(C)no1)[C@H]1CCS(=O)(=O)C1 1358967453 KSHDZBVZYCUCIS-IBGZPJMESA-N 469.567 2.391 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1359020822 QZBZHLDBRJHHCX-UHFFFAOYSA-N 484.608 2.488 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccn3C)n2C[C@]2(O)CCC[C@@H]2C)n1 1359027630 PQXYLOSATYYVLH-YADARESESA-N 451.575 2.317 30 10 JEEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2CCCN2CCC(O)CC2)CC1 1359038757 JOCWLQFTVOTYIU-UHFFFAOYSA-N 466.630 2.076 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(N(C)C)cc2C)CC1 1359043685 DLECDMIQKJALBY-UHFFFAOYSA-N 460.586 2.067 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C(=O)COC)CC1 1359096234 YKHYWNWEUMBIEH-CVDCTZTESA-N 485.585 2.239 30 10 JEEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(c2nccs2)CC1 1359132555 AHORFJJXAVIUJX-GOSISDBHSA-N 496.659 2.044 30 10 JEEE C=C(Cl)Cn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)NCc2ccccc2)CC1 1359151087 MQNXAKAYTCHPTC-FQEVSTJZSA-N 458.994 2.363 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CCCOC2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1359188308 LDQQQZQQHOLNOV-IBGZPJMESA-N 491.662 2.327 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC[C@H](C(N)=O)C1 1359327522 DIRHFKARCDGHGQ-KRWDZBQOSA-N 468.583 2.104 30 10 JEEE CC(C)(Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@](C)(C#N)C1)N1CCOCC1 1360780242 GCNBMAWZHREIPP-QHCPKHFHSA-N 452.563 2.166 30 10 JEEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2c(OC)ccc(S(N)(=O)=O)c2OC)cc1 1442263903 LSUMDVFIVQPMPY-UHFFFAOYSA-N 459.524 2.418 30 10 JEEE N#Cc1ccncc1N1CCN(C(=O)[C@H]2CC(=O)N(c3cccc(Br)c3)C2)CC1 1450467321 FHFMTJXPNQYCCH-INIZCTEOSA-N 454.328 2.417 30 10 JEEE C=CCN(c1ccccc1OC)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2COC[C@H]2O)c1 1468101417 DGZCTTXBSKVKHG-IEBWSBKVSA-N 466.943 2.219 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)Nc3ccccn3)n2CC2=CCCOC2)c1 1507546797 IHBDXXCZKPCJLY-UHFFFAOYSA-N 471.521 2.328 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2CC2CCN(CCN(C)C)CC2)c1 1507551825 HPRNARCLIPLYGP-XMMPIXPASA-N 493.656 2.459 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H](C)Oc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1507630601 CYBZLAJSGXSWPV-QZTJIDSGSA-N 469.567 2.376 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCOCc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1507632169 JNFGMZGZKMZBRW-IRLDBZIGSA-N 488.610 2.372 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H](C(CC)CC)N(C)C)[C@@H]1CCS(=O)(=O)C1 1507632541 NABXFQNADKTPDW-NJDAHSKKSA-N 465.664 2.165 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CCN(C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1507634106 JAMMJUBVDGHQHH-JOCHJYFZSA-N 464.595 2.027 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1c(F)cccc1SC)[C@H]1CCS(=O)(=O)C1 1507634455 YTROSCJEOHUALW-CVEARBPZSA-N 464.588 2.318 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1cccnc1OCCCC)[C@@H]1CCS(=O)(=O)C1 1507639404 XVABQCISNLEVIA-WOJBJXKFSA-N 473.599 2.379 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCc1ccncc1 1507709808 AWADZHAYCDXPNH-UHFFFAOYSA-N 457.538 2.399 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2CC2(O)CCCCCC2)CC1 1507736989 VZVUUYMXVZQBBP-LJQANCHMSA-N 461.607 2.053 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCc2nc(C(F)(F)F)cs2)CC1 1507740253 ZDZUOGRCBBPURR-OAHLLOKOSA-N 482.532 2.466 30 10 JEEE C=CCN(Cc1cccs1)c1nnc(Cc2ccncc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1508007413 BMERIQBSKFZSPC-NRFANRHFSA-N 459.597 2.068 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1-n1cccn1 1508022473 ZDHXRSUTRONREG-OAQYLSRUSA-N 483.598 2.023 30 10 JEEE C=CCN(CCc1ccco1)c1nnc(-c2cccn2C)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1508028642 VDGGDEJOUPXXDN-GOSISDBHSA-N 458.588 2.393 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@H](S(C)(=O)=O)C1 1508072678 FDZKRPMEPYITQG-ZDUSSCGKSA-N 458.371 2.177 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ccc(C=C)cc2)C1 1508122005 BPAUSLJPCHBRLX-YADHBBJMSA-N 487.626 2.278 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N(C)CC1COC(C)(C)OC1 1508144779 USHDORSHWVQINT-UHFFFAOYSA-N 466.579 2.444 30 10 JEEE C=CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)CC[C@@H]2C1 1508160753 ITOAEYGXIRVOHJ-MSOLQXFVSA-N 492.646 2.317 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@H](c1ccccc1Cl)N(C)C 1510187894 AOWLWUSZGYMQOE-JNAXZKDPSA-N 484.001 2.287 30 10 JEEE COC1CCN(C(C)(C)Cn2c(C(=O)Nc3ccccn3)nnc2N(C)C[C@@H](C)C#N)CC1 1518589782 ABUCFGCLKLEQAE-KRWDZBQOSA-N 454.579 2.411 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)N(Cc3ccccc3F)[C@H]3CCS(=O)(=O)C3)cc2C1=O 1531967280 IFEIMCLNQLIDDJ-KRWDZBQOSA-N 456.495 2.437 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCNC(=O)c1ccco1 1538966328 XUMZUOWEACNYMX-HNNXBMFYSA-N 454.918 2.342 30 10 JEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2ccc(OCC)cc2)CC1 1539125396 LSHWCWRGTHCAJV-OAQYLSRUSA-N 471.627 2.315 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccc(CN(CC)CC)c2)CC1 1539427379 CRQKSTQNLXLZMC-UHFFFAOYSA-N 451.619 2.062 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2(CCOC)CC2)CC1 1539470627 UDKLBJLBVGHRJS-UHFFFAOYSA-N 499.637 2.131 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CCCn2nc(C)cc2C)CC1 1539484272 JMYSIEXQGDNRTD-UHFFFAOYSA-N 460.586 2.133 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Br)c2)nnc1N1CCC[C@@H](C(=O)NC)C1 1540898224 DJZPQOXLIYDKNH-MRXNPFEDSA-N 496.431 2.271 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1540899515 QUVXPDCVGJFGRR-NRFANRHFSA-N 480.598 2.467 30 10 JEEE CCOC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C(=O)COC)CC2)CCCC1 1547932109 CRUDRCCMAYPESO-UHFFFAOYSA-N 482.585 2.373 30 10 JEEE N#Cc1ccc(N2CCN(S(=O)(=O)c3cccnc3)[C@H](C(=O)NC3CC3)C2)cc1C(F)(F)F 1548369471 HOBIQHNHSDXWEJ-IBGZPJMESA-N 479.484 2.130 30 10 JEEE N#C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccnc(OCC(F)(F)F)c2)CCO1 1555991990 CJPOAIHPSOHTNK-OAHLLOKOSA-N 488.430 2.039 30 10 JEEE CCOC(=O)c1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)c1 1561338557 CVNBMYCDHYIARB-OAHLLOKOSA-N 453.517 2.005 30 10 JEEE C=CCn1cc(CNC(=O)Cc2csc(NC(=O)c3ccc(Br)o3)n2)nn1 1585555950 VHVURXHNVYNRFL-UHFFFAOYSA-N 451.306 2.387 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CC1(N2CCOCC2)CCCCC1 1587555962 LNOPSENSHASROR-IBGZPJMESA-N 451.575 2.418 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1CCCC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1588035015 OIUQJIHLZFONSF-QGZVFWFLSA-N 495.552 2.042 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1c(C)cc(C)cc1C)[C@@H]1CCS(=O)(=O)C1 1588049881 MQNAIOOLJRAMPY-HXUWFJFHSA-N 452.584 2.279 30 10 JEEE C#CCN(c1nnc(COc2ccccc2OC)n1CC(=C)Br)[C@H]1CCS(=O)(=O)C1 1588068963 CUXYOGWEEXWPIS-INIZCTEOSA-N 495.399 2.401 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1nnc(CC)s1 1588138416 CIEZMOXAJXJIQD-INIZCTEOSA-N 471.587 2.122 30 10 JEEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H](C(C)C)N1CCOCC1 1588270972 BPYZJTOKIQFCEM-HXUWFJFHSA-N 487.674 2.363 30 10 JEEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC[C@H]1CCCCO1 1588628945 RBCCCVOEVDWCTO-GOSISDBHSA-N 460.604 2.283 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCCC(=O)N(C)C)CC1 1588811695 MLNURNBCYMWRFX-HXUWFJFHSA-N 487.649 2.016 30 10 JEEE C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccc1F 1589404019 FRIQNUBBCOLYPH-INIZCTEOSA-N 488.383 2.295 30 10 JEEE C=C(C)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1593660856 VIQLOKBNSOCYFM-RTWAWAEBSA-N 474.675 2.477 30 10 JEEE C=C(C)COCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCOC[C@H]1C 1593764097 XRDYBMBOQMCJGB-JOCHJYFZSA-N 454.619 2.461 30 10 JEEE C=CC1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1594438450 UJDYFRREQMYOPR-KSZLIROESA-N 487.605 2.439 30 10 JEEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1594807211 HWLKSDXNIUZYCQ-KRWDZBQOSA-N 459.551 2.058 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CN2CCCC2=O)n1C[C@@]1(O)CCSC1 1595100055 MJUZBJGHBPKXNU-QHCPKHFHSA-N 452.584 2.333 30 10 JEEE C=CCNC(=O)Cn1c(N2CC[C@](O)(Cc3cccc(Cl)c3)C2)nnc1[C@]1(OCC)CCOC1 1595603130 YLJCTJBAYDZGSE-ZEQRLZLVSA-N 490.004 2.070 30 10 JEEE C=CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@H](C(N)=O)C1 1595838416 RSAHBHVLRYNAEZ-INIZCTEOSA-N 463.007 2.482 30 10 JEEE CS(=O)(=O)[C@@H]1CCCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCSC2)C1 1620150316 ANVOTWSXDIOGSA-WIYYLYMNSA-N 461.613 2.088 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)[C@H]2CCCN(C(=O)COc3ccccc3)C2)C1 1624812916 AUGCLYIDPVLLLK-BJLQDIEVSA-N 456.543 2.179 30 10 JEEE C[C@@H](c1cccc(N2CCOC2=O)c1)N(C)C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 1635235787 AVWIFVMZKVSFCA-CVEARBPZSA-N 456.524 2.401 30 10 JEEE C=CC[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 1655626463 PJTDNMYAXLSKGW-LJQANCHMSA-N 450.582 2.173 30 10 JEEE C#CCN(C(=O)NC[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1682712651 LSNQQTCEHLNRKH-DENIHFKCSA-N 451.548 2.216 30 10 JEEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(CNC(C)=O)CC1 1689931967 NHTAVJKIKZPARN-HXUWFJFHSA-N 474.606 2.352 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Cl)n1CC1(C(N)=O)CCCC1)[C@H]1CCS(=O)(=O)C1 1689986364 NZPWRGILDWJSBC-INIZCTEOSA-N 476.002 2.271 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1cn(CCCC)nc1C)[C@H]1CCS(=O)(=O)C1 1689993310 ANUAQAGMNURHDC-QFIPXVFZSA-N 481.626 2.244 30 10 JEEE C#CCN1CCN(c2nnc([C@H](CC)c3ccccc3)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1690113554 MZMYQLZSCXZYMY-RBBKRZOGSA-N 455.628 2.400 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCOc2ncccc2Cl)CC1 1690113747 STZBXQLMDMZRAE-QHCPKHFHSA-N 474.993 2.201 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2CCC(=O)N2CCCCC2)CC1 1690150322 CUEVVHZJSOXIOP-UHFFFAOYSA-N 476.625 2.432 30 10 JEEE C#CCSCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCN(C(=O)OC)CC1 1690171099 WQQAEBWORWOPEZ-UHFFFAOYSA-N 495.609 2.320 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1CC1(NC(=O)OC(C)(C)C)COC1 1690188234 GDNAZPVNDFVELL-HSZRJFAPSA-N 481.557 2.211 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(CCOC)C(=O)C1 1690240026 AMVJULJOLJNVPV-DENIHFKCSA-N 455.559 2.230 30 10 JEEE C=CCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC2(CC1)CNC(=O)C2 1690500208 OCVXQQYZCAXTTF-UHFFFAOYSA-N 473.599 2.048 30 10 JEEE Cc1cnn(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(Oc3cccc(C#N)c3)CC2)c1 1693301631 FZIJCFMRXUECEW-SFHVURJKSA-N 498.613 2.013 30 10 JEEE CCc1cnc(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCN(C(=O)COC)CC2)s1 1694553909 CKQBJHKSBSDTCT-UHFFFAOYSA-N 465.583 2.373 30 10 JEEE COC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CCN2[C@H](C)CC[C@H]2C)CC1)OC 1697755300 GGMRWVDBRWPOGO-LGVFNWMJSA-N 481.645 2.473 30 10 JEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1705516699 HKMVROTXOCGWLU-CQSZACIVSA-N 456.494 2.219 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCc1n[nH]c(C)n1 1705603797 WBMWMNCFHKQPGZ-SFHVURJKSA-N 452.563 2.482 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CC[C@@H](C)N2CCCCC2)CC1 1705650421 QQMKCCWHUFVQPN-OAQYLSRUSA-N 463.630 2.494 30 10 JEEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCC(C(=O)N2CCCC2)CC1 1705652355 WPITXJABWWACOA-UHFFFAOYSA-N 460.648 2.402 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cc(Cl)ccc2OC)CC1 1705768965 FGXMUMAVAXYFLT-LJQANCHMSA-N 482.006 2.478 30 10 JEEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1705822459 FUOFFDPTKFRDIA-IBGZPJMESA-N 485.658 2.369 30 10 JEEE C=CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H]1CCS(=O)(=O)C1 1705841853 DWOYEOYWNPDPSO-MRXNPFEDSA-N 453.609 2.450 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@@H]1COCCO1 1705857045 OASYHZPLINPPTF-PZJWPPBQSA-N 476.599 2.187 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1Cc1cc(C)nn1C)[C@@H]1CCS(=O)(=O)C1 1722361214 YAVULSIRQGDUTA-GOSISDBHSA-N 458.975 2.315 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC(C)(C)c1ccccn1)[C@H]1CCS(=O)(=O)C1 1722369266 XBXMKJWCDUUFMI-MOPGFXCFSA-N 457.600 2.172 30 10 JEEE C=C(Br)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@](C)(C(=O)NC)C1 1722482956 FASMHDHBJDHNSO-FQEVSTJZSA-N 472.347 2.465 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cccc(N(C)C)c2)CC1 1722580718 FTOIIWFKKZECCB-OAQYLSRUSA-N 474.631 2.128 30 10 JEEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1722683696 WHXYGRPXESGZMD-HTAPYJJXSA-N 461.588 2.156 30 10 JEEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1722703320 YWHVFSAVBQVFIF-UHFFFAOYSA-N 476.585 2.201 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2nc(C(F)(F)F)cs2)C1 1722717756 DAZKODOBTMGGOT-STQMWFEESA-N 477.534 2.485 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC2(O)CCS(=O)(=O)CC2)C1 1722717969 OZMXFWVHHJLZJK-GOSISDBHSA-N 466.991 2.320 30 10 JEEE CC(C)n1nc(-c2nnc(N(C)[C@H](C)CC#N)n2C[C@]2(O)CCN(C)C2)c2ccccc2c1=O 1723771526 GEIYNOFSHGSTGK-OSPHWJPCSA-N 464.574 2.041 30 10 JEEE CCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCNC(=O)c1ccc(C)c(F)c1 1727601964 AWURQZDNUSXBSX-UHFFFAOYSA-N 462.533 2.311 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1Cc1ccccc1CN1CC[C@@H](O)C1 1740531336 JZOBANLSAAHUOI-PGRDOPGGSA-N 452.603 2.269 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccc(-n2cccn2)cc1)[C@@H]1CCS(=O)(=O)C1 1740615373 CDPSPYMXKNMQHR-HXUWFJFHSA-N 452.584 2.436 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1(C)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1740618053 BJULDWYSZDCTJO-LJQANCHMSA-N 473.555 2.297 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1740620331 VXMBWYLVSSCBDF-GDBMZVCRSA-N 454.499 2.208 30 10 JEEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccccc1CN1CCC(O)CC1 1740631516 BOCVBPPZBHEFEB-HHHXNRCGSA-N 477.609 2.008 30 10 JEEE C#CCSCCn1c(N(C)CCN2CCOCC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740722287 GGMUSSZYTXFGBT-KDURUIRLSA-N 478.663 2.184 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1740778393 AZKUARSUOBKXHO-KRWDZBQOSA-N 481.644 2.033 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCNC(=O)c2cccc(O)c2)CC1 1740839911 QLFQCHODYPSINQ-IBGZPJMESA-N 473.599 2.108 30 10 JEEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1C[C@H](C)C[C@H]1c1cccc(OC)c1 1740963615 QTBVUQNOJKBIGG-XLIONFOSSA-N 452.559 2.299 30 10 JEEE CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2csc(CC)n2)CC1 1746510746 CKVKXRFTSYZFIW-UHFFFAOYSA-N 478.626 2.336 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)C)n2C[C@@H](C)N2CCN(CC)CC2)c1 1748691637 IBHGSVDBEOSHBM-HXUWFJFHSA-N 451.619 2.484 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OCC)CCOC3)n2Cc2nnc(CC)s2)c1 1748692074 QGHXSTUBQLOKRB-DEOSSOPVSA-N 495.609 2.449 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1CC(=O)NC1CCCCC1)[C@H]1CCS(=O)(=O)C1 1748818452 BQMSJPGEBLRLTG-QFIPXVFZSA-N 483.638 2.253 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ncccc1N(C)C 1748858035 KIVNPQVHKZQGJD-OAQYLSRUSA-N 479.585 2.169 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](SC)C(C)(C)C)CC1 1749001129 JKTUPSBRFYDWRC-GOSISDBHSA-N 460.648 2.258 30 10 JEEE C#CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](C)O[C@H](COC)C1 1749037982 LXKQQMZWMQLBHH-FHWLQOOXSA-N 495.646 2.193 30 10 JEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N(C)Cc1ccccc1N1CCOCC1 1749043813 KWHUSCARWGIKKK-UHFFFAOYSA-N 468.627 2.240 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCNC(=O)CC1 1749122454 WBADKOCGYYCVHH-KKSFZXQISA-N 471.558 2.278 30 10 JEEE C=CC1CCN(c2nnc(CN3CCCC3=O)n2CC[C@@H](C(F)F)N2CCOCC2)CC1 1749348679 VCVGDWHMSDIXCN-SFHVURJKSA-N 452.550 2.159 30 10 JEEE C=CCCOCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1749447592 IHKVWVNAJYLXSV-HXUWFJFHSA-N 490.586 2.450 30 10 JEEE C=CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1)C1CC1 1749527965 XXPYDDBVDVNRMU-GOSISDBHSA-N 456.572 2.165 30 10 JEEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1749609503 SJFISHBSOFKNKS-HNNXBMFYSA-N 457.560 2.109 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@H](Oc2ccccn2)C1 1749660330 NMUODYDZRFLCHL-GOSISDBHSA-N 464.526 2.317 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@@H](OCCOC)C1 1749660474 QBDFZSRXQCLDHG-LJQANCHMSA-N 450.543 2.427 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccn3C)n2Cc2ccccc2S(=O)(=O)N(C)C)C1 1749705126 GNWSTQOAFSOIOV-LJQANCHMSA-N 470.599 2.364 30 10 JEEE CC(=O)N1CCC[C@H](Cn2c([C@H]3COCCN3C(=O)OC(C)(C)C)nnc2N(C)C[C@@H](C)C#N)C1 1749821285 GCXNJWQLHRZQPW-YSIASYRMSA-N 489.621 2.441 30 10 JEEE CC(C)(C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1750113781 DPJIOJRYDWBMIG-LJQANCHMSA-N 472.615 2.383 30 10 JEEE C#CCCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1760131477 TWHXRBLWQONCQS-NRFANRHFSA-N 490.612 2.090 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1CCCN1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1760190339 VXFRAGXXVLBUIG-OAQYLSRUSA-N 456.616 2.089 30 10 JEEE C#CCN(c1nnc(CCCc2ccccc2)n1Cc1ncnn1C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1760192091 QIXZNJQOKJNNSE-NRFANRHFSA-N 495.653 2.475 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccnc(SCC)c1)[C@@H]1CCS(=O)(=O)C1 1760193359 XRCHKQJDBVZLJQ-QZTJIDSGSA-N 461.613 2.312 30 10 JEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CCC(=O)NC1CCCCC1 1760207628 QBCOOXCADUWFIL-UHFFFAOYSA-N 452.584 2.181 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](C)c2nccs2)CC1 1760271401 WXHAJOUCEZKQCR-MRXNPFEDSA-N 466.615 2.366 30 10 JEEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCSC2(CCCCC2)C1 1760280419 FJHQWKNLGWUCOC-SFHVURJKSA-N 499.728 2.234 30 10 JEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)Cc1ccc2c(c1)OCO2 1760440523 LTHXBGNVEPOQNF-FQEVSTJZSA-N 477.587 2.332 30 10 JEEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1760440845 RNUCIZVMLJLLCT-XFQAVAEZSA-N 451.593 2.250 30 10 JEEE C=CCSCCn1c(-c2ccc[nH]2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1760562604 PMFFVOBEEJEIRG-UHFFFAOYSA-N 479.657 2.468 30 10 JEEE C/C(=C\c1ccccc1)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1CCN/C(O)=C1/N=CC=CC1=O 1760570044 FLABFGDSBABFBR-VWHVFKDXSA-N 475.553 2.295 30 10 JEEE CC(=O)N1CCN([C@@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCOCC(F)F)C[C@H]2C)CC1 1760621455 HJLFKJMJJDXWOP-DYESRHJHSA-N 487.555 2.087 30 10 JEEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N(CCC#N)CC3CC3)n2C[C@H]2CCOC2)c1 1768523291 FYVHEGHQJJOSCQ-GOSISDBHSA-N 458.588 2.362 30 10 JEEE Cn1c([C@H](C#N)C(=O)CN2CCN(c3nnc(Cc4ccccc4)c(O)n3)CC2)nc2ccccc21 1859428242 QRWDAMMWEYNBHE-LJQANCHMSA-N 482.548 2.053 30 10 JEEE O=C(C1=C(O)C(=O)N(CCCO)[C@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccc2c(c1)OCO2 1862635136 CGDGHNZJPWRYJJ-FQEVSTJZSA-N 484.417 2.055 30 10 JEEE O=C(NCCCn1ccnc1)[C@@H](CSCc1ccccc1)N=C1NS(=O)(=O)c2ccccc21 1869932098 TXYYEBITTGMNJU-HXUWFJFHSA-N 483.619 2.430 30 10 JEEE CSCC[C@@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H](O)c1ccc(Cl)cc1 1869933360 DZEOIOBRVZOWTB-IAGOWNOFSA-N 468.000 2.350 30 10 JEEE C=CCN(CC=C)c1nc(NC(=O)c2cc(OC)c(OC)c(OC)c2)n([C@@H]2CCS(=O)(=O)C2)n1 1870002691 VBWLKRXMOUZLMX-MRXNPFEDSA-N 491.570 2.094 30 10 JEEE C#CCOc1cn(C[C@H](c2ccc(O)cc2)N(C)C)c(CN2CCC3(CC2)OCCO3)cc1=O 1870561564 SERUHWAEKPQJSW-HSZRJFAPSA-N 467.566 2.208 30 10 JEEE CC(=O)NCc1nnc(SCC(=O)Nc2ccccc2)n1/N=C/c1ccc(C(=O)O)cc1 1874431043 JADACNGQFSPYCQ-FOKLQQMPSA-N 452.496 2.225 30 10 JEEE COc1cccc(/C=N/n2c(CNC(C)=O)nnc2SCC(=O)NC2CCCCC2)c1O 1874433937 FGXNXTHPAKFMEA-FOKLQQMPSA-N 460.560 2.052 30 10 JEEE COCc1nnc(SCC(=O)NCc2ccccc2)n1/N=C/c1ccc2c(c1)OCCO2 1874505794 ZVYPUSPAQOPDFS-ZMOGYAJESA-N 453.524 2.486 30 10 JEEE CC(C)N1C(=O)CS[C@H](C(=O)N2CC[C@H](Oc3ccncn3)C2)[C@@H]1c1ccc(C#N)cc1 1891290556 CUUKFPIHBDJOAX-NYVOZVTQSA-N 451.552 2.422 30 10 JEEE CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N(C)C2CN(c3nccnc3C#N)C2)cc1 1892162157 UJIRLIDEXUHSOS-UHFFFAOYSA-N 456.572 2.120 30 10 JEEE N#Cc1ccc(C(=O)Nc2c(I)ncnc2I)o1 2057379383 GCHPJSCMVRFXPP-UHFFFAOYSA-N 465.976 2.403 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCC(B2OC(C)(C)C(C)(C)O2)CC1)C1CS(=O)(=O)C1 2231053904 OJAUPXXQKOMRFQ-MRXNPFEDSA-N 472.413 2.009 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NC[C@H]2C[C@@H](OC)CN2C(=O)OC(C)(C)C)C1 2255196755 KPCPSWLFRPPWKP-IHSWXRNOSA-N 451.564 2.434 30 10 JEEE CN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1)[C@@H]1CC[C@H]1NC(=O)OCc1ccccc1 2255613622 DGMOTAAOUNLIGK-IEBWSBKVSA-N 468.363 2.249 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1CCN1S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2255942601 NSDRSGRTFVRGJC-HNNXBMFYSA-N 472.438 2.476 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C(C)(C)C1 2256628152 FGJGOHCJIUKSHD-LBPRGKRZSA-N 452.386 2.091 30 10 JEEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C 2256735548 NLNDPUCVTMRDEK-HNNXBMFYSA-N 454.398 2.281 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](CO)[C@@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2267278197 ZNLBKFWGACVLDE-CABCVRRESA-N 466.409 2.395 30 10 JEEE CC(C)(C)OC(=O)N[C@@]12C[C@H]1CN(S(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1)C2 2267416621 RWWXFQISBDXHGP-OYHNWAKOSA-N 464.393 2.274 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCCC12CN(C(=O)OC(C)(C)C)C2 2282039408 VAIWPQZYTQOFEM-MRXNPFEDSA-N 460.384 2.239 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H]2CC[C@H]1N2C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2282178740 IGPNIXWTLXFMCL-ZMSDIMECSA-N 458.368 2.294 30 10 JEEE C[C@H]1[C@H](NC(=O)C(F)(F)F)CCCN1S(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2282349387 YAROOIAAABHDJG-DZGCQCFKSA-N 476.326 2.206 30 10 JEEE COc1ccc(S(=O)(=O)N[C@@H]2CC[C@@H]2NC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2282505008 XKTKJEWOTACWMP-DLBZAZTESA-N 482.408 2.328 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H]3CC[C@]3(CNC(=O)OC(C)(C)C)C2)n1 2282533457 LNZVVJPSKINYLN-CMJOXMDJSA-N 460.384 2.096 30 10 JEEE Cn1cc(C(=O)NC[C@]2(F)C[C@@H](CNC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2282554031 XPXFKVSCHRCLPB-XLOAEROZSA-N 466.363 2.092 30 10 JEEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1CCNC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282554367 CNDZDBNHIFYNFW-CVEARBPZSA-N 462.400 2.342 30 10 JEEE C[C@H]1CN(C(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)C[C@H]1CCNC(=O)OC(C)(C)C 2282556610 KNGGTGXAHAQGIQ-JKSUJKDBSA-N 462.400 2.342 30 10 JEEE CCc1nn(C)c(C(=O)N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2282561810 USKFSASXCSOELG-HNNXBMFYSA-N 462.400 2.363 30 10 JEEE Cn1cc(C(=O)NC[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2282580911 ZYGGRGMREUZOBE-UXLLHSPISA-N 460.384 2.095 30 10 JEEE CC(C)(C)OC(=O)NC1(C(N)=O)CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)CC1 2282587769 BBPCEXDGEWUNRQ-UHFFFAOYSA-N 479.408 2.032 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC[C@@](O)(CNC(=O)OC(C)(C)C)C1 2282592915 JTBNAHNGDCGWRD-JOCHJYFZSA-N 481.424 2.243 30 10 JEEE Cn1nc(C(=O)N2[C@H]3CC[C@@H]2C[C@@H](NC(=O)OC(C)(C)C)C3)cc1B1OC(C)(C)C(C)(C)O1 2282611917 QAMBIEUOBOSARY-PHZGNYQRSA-N 460.384 2.380 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2C(NS(=O)(=O)Cc3cccc(B4OC(C)(C)C(C)(C)O4)c3)[C@H]2C1 2282840679 IQAURMHLFWOUPY-ROUUACIJSA-N 478.420 2.271 30 10 JEEE COc1ccc(S(=O)(=O)N(OCc2ccccc2)C2CNC2)cc1B1OC(C)(C)C(C)(C)O1 2282880211 FYFXXNXUKZWQAK-UHFFFAOYSA-N 474.388 2.089 30 10 JEEE CC(C)(C)OC(=O)N1[C@H](C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C[C@@H]2OCC[C@H]21 2283966873 XSMKAVPSEAHQAG-IKGGRYGDSA-N 459.352 2.486 30 10 JEEE COC1(CNC(=O)OC(C)(C)C)CC(C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C1 2283977657 RYJGXTOLRDTSBQ-UHFFFAOYSA-N 481.424 2.378 30 10 JEEE COCC1(C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)CC(NC(=O)OC(C)(C)C)C1 2284050730 BRMQGXJFGZPFGF-UHFFFAOYSA-N 481.424 2.378 30 10 JEEE CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N1CCc2c(cccc2B2OC(C)(C)C(C)(C)O2)C1 2284138704 DGVRMBHYKIEJJM-LJQANCHMSA-N 460.380 2.146 30 10 JEEE C[C@H](OCc1ccccc1)[C@@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1O)C(=O)O 2284476486 LMWLLUVJGWYWHQ-MGPUTAFESA-N 455.316 2.480 30 10 JEEE COC1(C(=O)NCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2F)CN(C(=O)OC(C)(C)C)C1 2285190481 UKUUEBLPTPSJPR-UHFFFAOYSA-N 464.343 2.377 30 10 JEEE COC(=O)[C@H](CS(=O)(=O)Nc1ccc(C#N)c(Cl)c1)NC(=O)OCc1ccccc1 2286028818 WMDSENWASKRLHY-KRWDZBQOSA-N 451.888 2.421 30 10 JEEE COC(=O)c1[nH]c(C)c(C(O)=C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccc(OC)c2)c1C 2296930189 FYPGGNXBANVSNM-JOCHJYFZSA-N 497.548 2.181 30 10 JEEE CC1(C)OB(c2sncc2C(=O)NC[C@H]2CN(C(=O)OCc3ccccc3)CCO2)OC1(C)C 2315695590 QBHDDECHQOYYKU-KRWDZBQOSA-N 487.387 2.210 30 10 JEEE Cc1nn(C)c(C(=O)N2C[C@@H]3CC[C@H]2[C@H]3NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2359267793 CTQSWGCPSBLBNH-ZOBUZTSGSA-N 460.384 2.155 30 10 JEEE Cn1ncc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H]3CCC[C@H]32)c1B1OC(C)(C)C(C)(C)O1 2367684603 JBMQTVQXONMUQX-SJORKVTESA-N 460.384 2.333 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)[C@H]2CCC[C@@H]21 2367687111 OITNOFHTYDBYFX-IRXDYDNUSA-N 458.368 2.390 30 10 JEEE C=CCOc1ccccc1[C@@H]1c2c(nc(N3CCC(C(=O)OCC)CC3)[nH]c2=O)NC(=O)[C@@H]1C#N 72444778 RAUHWOTVVIKBNG-MJGOQNOKSA-N 477.521 2.338 30 10 JEEE Cc1ccc([C@@H]2C3=C(Nc4[nH]c5c(c(=O)c42)c(=O)n(C)c(=O)n5C)c2ccccc2C3=O)cc1 104764555 XRRQZFJJDCCEKM-MRXNPFEDSA-N 452.470 2.399 30 10 JEEE C=CCCN1C(=O)[C@@H]2[C@H](c3ccc(C(=O)OC)cc3)N[C@@](Cc3ccccc3)(C(=O)O)[C@@H]2C1=O 247842984 OOQSMNLWXPEQAW-HJJDGDTKSA-N 462.502 2.361 30 10 JEEE C#CC[C@H](NC(=O)c1cn(CCNC(=O)OCC2c3ccccc3-c3ccccc32)nn1)C(=O)O 757330487 HKYVERUCRUHRTR-NRFANRHFSA-N 473.489 2.023 30 10 JEEE N#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(CCO)CC(=O)O 757401074 MXGWCVFNTCBUKT-QFIPXVFZSA-N 465.506 2.493 30 10 JEEE CN(C)[C@H](CNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)c1cccc(C(F)(F)F)c1 1138507170 DPVXIMPADLHAFJ-GOSISDBHSA-N 454.474 2.274 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2=O)s1 1147368344 YTSRWRTUPXSVEE-MRXNPFEDSA-N 453.973 2.330 30 10 JEEE CN1C[C@@H](C(=O)N2CCC(B3OC(C)(C)C(C)(C)O3)CC2)N(C(=O)OC(C)(C)C)CC1=O 1153823491 WVWNAFWJDHILPT-INIZCTEOSA-N 451.373 2.149 30 10 JEEE C#CCN1CCC[C@@H](NC(=O)c2ccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)cc2)C1 1154959041 OANYMRQQALAQRC-LJQANCHMSA-N 455.536 2.086 30 10 JEEE C#CC[C@@]1(C(=O)N2CCN(c3ccc(F)cc3C(N)=O)CC2)CCCN1C(=O)OC(C)(C)C 1280412726 AQIKPSQLUOSDQP-DEOSSOPVSA-N 458.534 2.366 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1CC(C)(C)c1ccccn1)[C@H]1CCS(=O)(=O)C1 1286387302 PWACZGZRSGXHOA-SFHVURJKSA-N 450.568 2.340 30 10 JEEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1286423368 SJNOLYNQOIXZJU-LVXARBLLSA-N 492.628 2.282 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2CCCN2C[C@@H](C)O[C@H](C)C2)CC1 1286484094 HMAHDUOIEHLKQQ-NHCUHLMSSA-N 470.593 2.251 30 10 JEEE C#CCSCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN(C)C(=O)C1 1286506852 OWZHQXOFMZKWJT-UHFFFAOYSA-N 462.620 2.037 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN(C)Cc1ccc(F)cc1 1286523495 XGGUJDALIUYMAT-AUSIDOKSSA-N 459.591 2.443 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1cc(OC)ccc1Br 1286778401 CUCVFDWGJZQOEQ-UHFFFAOYSA-N 491.390 2.224 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(Cc2cc(C)on2)CC1 1286780645 PQTRJUNVNOLAHA-GOSISDBHSA-N 483.548 2.478 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1286792309 UJEKFZRSPIBVGT-UHFFFAOYSA-N 495.672 2.463 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2CCS(=O)(=O)CC2)C1 1286801652 FHKDTRBWOMRISM-LJQANCHMSA-N 461.544 2.459 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](c2ccc(F)cc2)O[C@H](C)C1 1300411494 SMUKSBHYOPPTJO-UIFIKXQLSA-N 491.589 2.130 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1CC1(O)CCCC1)[C@H]1CCS(=O)(=O)C1 1300485821 ZFQBUTJKKNIIPE-ROUUACIJSA-N 476.574 2.489 30 10 JEEE C#CCN(c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H](C)OC)[C@H]1CCS(=O)(=O)C1 1300495385 GYAUMGOTDOFFLW-HKUYNNGSSA-N 495.646 2.054 30 10 JEEE C#CCN(c1nnc(CCOc2ccccc2)n1CCC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1300502887 ZFMAJPHXTDCWCF-OAQYLSRUSA-N 472.611 2.343 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1cccc(OC)c1)N1CCCC1 1300578597 NCVSLHNUZYNWTO-VWNXMTODSA-N 495.649 2.489 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1C[C@@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1300664780 FSVVSTOTUWIUMH-MXEMCNAFSA-N 489.617 2.283 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(O)cc2)CC1 1300728945 KTQQKFQDGJDMEG-UHFFFAOYSA-N 450.568 2.354 30 10 JEEE C#CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1300743298 LRYLAMRYWSEOTK-FQEVSTJZSA-N 482.654 2.453 30 10 JEEE C=C(Br)Cn1c(N2CC[C@H](CN3CCOCC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1300861193 BLQLHHBWVPLICO-WIYYLYMNSA-N 484.439 2.386 30 10 JEEE COCC[C@@](C)(O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC(C#N)CC1 1301437222 FQXHNGUSCNIPHA-HSZRJFAPSA-N 459.547 2.498 30 10 JEEE C=CCNC(=O)Cn1c(N2CCCN(C3CCCC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1301518486 HRXFWFDQZCHREM-DEOSSOPVSA-N 460.623 2.076 30 10 JEEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCC(CC#N)CC3)n2C[C@H]2CCCCS2)C1 1302477125 CLSQWBUZMOIWGI-QZTJIDSGSA-N 468.649 2.027 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)NC(=O)OC(C)(C)C 1303638649 BMIICSDXZZPEOK-GJZGRUSLSA-N 454.597 2.222 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCN(C)C(C)(C)C1 1358891931 PBQNSXQYSPVMFS-WOJBJXKFSA-N 489.665 2.070 30 10 JEEE C#CCN(c1nnc(-c2ccccc2F)n1CC1(C(=O)N(C)C)CCCC1)[C@H]1CCS(=O)(=O)C1 1358960107 XHJVQTAGLWLZJV-SFHVURJKSA-N 487.601 2.360 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1Cc1nnn(C)n1 1359020564 HZXPWACZAGNHJH-UHFFFAOYSA-N 452.519 2.471 30 10 JEEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1359058039 QSGDJBZDLMJCCS-UHFFFAOYSA-N 497.575 2.334 30 10 JEEE C=C(C)Cn1c(Cc2ccccn2)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1359122799 YVGULGLGRLFFTA-UHFFFAOYSA-N 456.547 2.490 30 10 JEEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2c(F)ccc(F)c2C1 1359133256 OFKHQSIAQYUQOP-FQEVSTJZSA-N 497.568 2.045 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ncnn1C(C)(C)C 1359257837 XKGMXJQJQAVBOA-KRWDZBQOSA-N 472.619 2.476 30 10 JEEE CC(=O)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCCN2CCC[C@@H]2CO)CC1 1359378287 ITLMHJIFNBILNW-HSZRJFAPSA-N 495.628 2.024 30 10 JEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCCCN(CC(=O)OC(C)(C)C)C1=O 1471360682 ZRGDQVVKVOYIOQ-SJORKVTESA-N 451.564 2.132 30 10 JEEE C[C@H]1C[C@@H](C)CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCS(=O)(=O)CC2)C1 1493248287 GVENLAUHUUCAQK-HDICACEKSA-N 473.599 2.151 30 10 JEEE CCC(CC)[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cn2)CC1)N(C)C 1496661560 DQWXKMQZGMPZOA-LEWJYISDSA-N 479.633 2.189 30 10 JEEE CCCN(CC)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)CC[C@H]2C1 1500794487 GRYDLFQOJCACCO-FQEVSTJZSA-N 451.575 2.272 30 10 JEEE CCOC(=O)N[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2ccn(C)n2)C1 1502534442 HLLMPBROPVNYEU-FQEVSTJZSA-N 478.557 2.420 30 10 JEEE COCC[C@](C)(O)Cn1c(CCc2ccccc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1504757922 FODSWMPXBPULJD-SANMLTNESA-N 492.628 2.091 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1ccc(C)n(C)c1=O 1507518458 LUBHKARPLNEMDL-OAHLLOKOSA-N 467.599 2.060 30 10 JEEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1507568938 BABRQGQIOLDDSA-UHFFFAOYSA-N 452.534 2.306 30 10 JEEE C#CCN(CCOC)c1nnc(COc2ccc(Br)cc2)n1CC1(O)CCOCC1 1507713977 DTOKHZNTBBTIBO-UHFFFAOYSA-N 479.375 2.247 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CCCNC(=O)C2CCC2)CC1 1507743085 YUEFHYHTTHTXSY-UHFFFAOYSA-N 480.588 2.280 30 10 JEEE C=C(C)COCCn1c(N2C[C@H]3CCC(=O)N[C@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1507847209 DASUNCPWKHHQKW-YRXWBPOGSA-N 474.606 2.356 30 10 JEEE C=C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCN2CCN(C(C)=O)CC2)CC1 1507879356 SZLUPXUAUMUHKH-UHFFFAOYSA-N 454.575 2.283 30 10 JEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCN2CCc3sccc3C2)CC1 1507880830 KHYFSPPEEKABOM-INIZCTEOSA-N 450.634 2.165 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(C)(C)NC(=O)OC(C)(C)C)C1 1508124958 NDMBUKKEDDNYQD-SJORKVTESA-N 483.635 2.265 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1508134135 BMEZEUDUZLGTJC-MVVMVCHASA-N 498.447 2.244 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CC[C@@H](N(C)Cc2ccccc2)C1 1508140982 ROMGNDLAOHYDNP-HXUWFJFHSA-N 467.599 2.047 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 1508144298 PFLVAHPFFMRBGY-LJQANCHMSA-N 490.630 2.358 30 10 JEEE CC(C)NC(=O)c1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1C[C@@H]1CCCCS1(=O)=O 1509604616 CBVAYPFHGWMKHG-FQEVSTJZSA-N 470.599 2.424 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CC(C)(C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1539205642 JDQJOEXDDGNRPC-GCJKJVERSA-N 452.621 2.239 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1CC1CCN(C(=O)OC)CC1)[C@H]1CCS(=O)(=O)C1 1539212324 UYERIQQVAXYQNA-FQEVSTJZSA-N 485.610 2.359 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(Br)c2)n1CCCN(CC)S(C)(=O)=O 1539241597 FJDJMLXXLPKCLQ-UHFFFAOYSA-N 478.416 2.452 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN(C)[C@@H]1c1cccs1 1539267288 YHZWOCJOWLRTLH-SBHAEUEKSA-N 471.652 2.398 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccccc2OC)n1Cc1ccc(N2CCOCC2)nc1 1539279044 RMPYYUCBFBWVTJ-UHFFFAOYSA-N 472.549 2.218 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 1539317711 GNOJNCIDEDPURT-MOPGFXCFSA-N 454.575 2.339 30 10 JEEE C#CCN(CC)c1nnc(-c2ccc(Br)cc2)n1CCN1CCN(C(C)=O)CC1 1539351174 OCQJWCRKLTVJLA-UHFFFAOYSA-N 459.392 2.331 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1539462832 LQTKOBODZDCJMT-VSKRKVRLSA-N 499.660 2.063 30 10 JEEE C=C(Br)Cn1c(N2CC[C@]3(CCC(=O)N3)C2)nnc1[C@]1(OC(C)C)CCOC1 1539608672 CGTAQCBGIKAWCX-MOPGFXCFSA-N 454.369 2.086 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1539615825 MGWAOHNNQOIIST-YRPNKDGESA-N 477.635 2.216 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(C)C)CC1 1539632704 SWRGLPCLZCQSRB-NSHGMRRFSA-N 451.637 2.128 30 10 JEEE C=C(C)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1539714404 HSFODOUYEZWUBG-QFIPXVFZSA-N 472.659 2.232 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)NCCCCC)CC1 1539804506 XKRYVVXFPLEZJX-QGZVFWFLSA-N 458.028 2.456 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCCN(CC(F)(F)F)CC1 1540863940 KEZDKWQCBGDWGO-UHFFFAOYSA-N 490.328 2.412 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3nn(C(C)C)c(=O)c4ccccc34)n2CC(=O)N(C)C)C1 1540890102 ZNCBXCHPPAMHCT-KRWDZBQOSA-N 465.558 2.105 30 10 JEEE COCCCNC(=O)N1CC2(CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)C[C@@H]1C(N)=O 1548379924 LSBBSROICKUELP-GOSISDBHSA-N 467.492 2.469 30 10 JEEE CN(C)CC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1552860518 AXPICTDPNFZHNA-JOCHJYFZSA-N 481.645 2.475 30 10 JEEE C#CCNS(=O)(=O)N1CCN(C(=O)c2nc(-c3ccc(Cl)c(Cl)c3)oc2C)CC1 1558073137 MKICYMOPUXVVKC-UHFFFAOYSA-N 457.339 2.182 30 10 JEEE Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 1569982759 CAJGFSGLYAIBCA-AWEZNQCLSA-N 454.512 2.401 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1CCOC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1588040982 TVRFMCOQBNFDEH-GOSISDBHSA-N 476.599 2.404 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@@H]1CN(CC(C)C)CCO1)[C@@H]1CCS(=O)(=O)C1 1588058752 BTGIAAKQPCMILQ-RPWUZVMVSA-N 499.681 2.161 30 10 JEEE C#CCN(CC)c1nnc(-c2cc(F)ccc2Br)n1CCN1CCN(C(C)=O)CC1 1588280638 NXXNIZJGMSBGCN-UHFFFAOYSA-N 477.382 2.470 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC2(CS(C)(=O)=O)CC2)CC1 1588751084 IKTVMULHSGTGDP-GOSISDBHSA-N 475.590 2.137 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2cccc(OC)c2OC)CC1 1588751185 JGIAOTGUGJSIRR-RUZDIDTESA-N 469.586 2.139 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)c2nc(C)cs2)CC1 1588884827 OACONTGNCMZOQR-INIZCTEOSA-N 492.609 2.460 30 10 JEEE C=CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@@H](N1CCOCC1)C(F)(F)F)C1CC1 1595027044 WRRDNSUCRURUIN-XLIONFOSSA-N 459.513 2.348 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC(C(=O)NCc2ccc(F)cc2)CC1 1595561844 DNAFDMAHFKBOSX-UHFFFAOYSA-N 491.571 2.238 30 10 JEEE C=CCOc1ccc(Cn2c(N3CC[C@H](S(C)(=O)=O)C3)nnc2[C@@]2(OCC)CCOC2)cc1 1595639811 LEOHUOZMULADQU-NZQKXSOJSA-N 476.599 2.167 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCN1CCOC[C@H]1C 1596781788 FCJWFCFMWJUZKP-DLBZAZTESA-N 459.982 2.178 30 10 JEEE Cc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)[C@@H](C)CC#N)c(O[C@@H]2CCOC2)c1 1612079971 GZQPIDTXEIJIOQ-DFQSSKMNSA-N 473.599 2.443 30 10 JEEE C#CCNC(=O)CN1CCN(C(=O)C[C@]2(CC)OCCc3c2[nH]c2c(CC)cccc32)CC1 1640201390 DUDSICZZOZGDJD-SANMLTNESA-N 450.583 2.192 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(N2CCOCC2)c(F)c1 1689868825 RDOKXJKMQSDECU-LZNRXBQRSA-N 457.550 2.484 30 10 JEEE C#CCCCn1c(COc2ccc(C)cc2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1689938126 AMVYJAOPDXQWOW-UHFFFAOYSA-N 497.625 2.132 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@H](c1ccccc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1689992200 IETZIGNJHVZTGR-XZOQPEGZSA-N 478.622 2.194 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1Cc1ccc(C[S@@](C)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1689992846 PPZZOSUFYCTCJO-PRAQEBQASA-N 462.641 2.030 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCSCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1689998873 ZKBJVTOJYQACAC-ZIAGYGMSSA-N 452.524 2.052 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCc1nnc(C)s1 1690013425 NXXAANFYZDAMRH-UHFFFAOYSA-N 458.551 2.058 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CC(C)(C)N1CCC(OC)CC1 1690043564 FNYCHIHQYJVKFP-UHFFFAOYSA-N 466.586 2.358 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2Cc2ccc(C(N)=O)nc2)CC1 1690111658 HCXKIRHYIFQDKG-HXUWFJFHSA-N 473.581 2.332 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2nc(C(C)(C)C)cs2)CC1 1690144278 SFFRBQRXBMOCET-KRWDZBQOSA-N 483.642 2.192 30 10 JEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)Nc2ccc(C)cn2)CC1 1690154233 KYDJZFIFQUHFSM-UHFFFAOYSA-N 469.615 2.341 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCc2ccccc2)CC1 1690313508 WBOXVSFMFDOPII-QFIPXVFZSA-N 473.643 2.138 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(Cl)cc1OC 1690597432 TUVGPGCRGOBZKT-IBGZPJMESA-N 482.006 2.500 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCC(=O)N2CCOCC2)C1 1690714471 NAQUXPPMWZZDKF-QKNQBKEWSA-N 461.607 2.227 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N(C)Cc1nc(O)c2sccc2n1 1690722389 HSEGYSZUMZAAFM-UHFFFAOYSA-N 473.584 2.231 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1Cc1c(F)cccc1OC(F)F 1692774493 HCVRULJBWSPXKF-GFCCVEGCSA-N 472.493 2.417 30 10 JEEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(-c2ccccn2)n1CCC(=O)NC(C)(C)C 1693744839 BBNHTXSTMSIUHT-QGZVFWFLSA-N 474.573 2.022 30 10 JEEE CCN(CC)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2nccnc2C)CC1 1695596092 BOZLGQFMKWJZRE-UHFFFAOYSA-N 487.612 2.148 30 10 JEEE COc1cc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H]2CCCS(=O)(=O)C2)cc(OC)c1OC 1697252267 HMIDMMNEZHJLIH-NYHFZMIOSA-N 493.561 2.238 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@]1(O)CCSC1)[C@@H]1CCS(=O)(=O)C1 1705561455 UDHBJYSHFPBLKV-CECAUBDESA-N 494.614 2.052 30 10 JEEE C#CCN(c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@](C)(O)C(C)C)[C@H]1CCS(=O)(=O)C1 1705565029 FPKAVZQAXAAFEM-URXFXBBRSA-N 482.610 2.165 30 10 JEEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@@H](C)c1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1705568329 LGYXDZASEJXSTJ-CTNGQTDRSA-N 469.611 2.139 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccco1)N1CCCCC1 1705583212 SFZIYFRXCDDXBS-WOJBJXKFSA-N 455.584 2.073 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)COCc1ccccc1 1705598541 LILMISIEEXKCFE-UNMCSNQZSA-N 454.596 2.496 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@H](C)N2CCOCC2)CC1 1705636515 NCYYAAVVJLJZQQ-SFHVURJKSA-N 458.994 2.083 30 10 JEEE C#CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@@](F)(C#N)C1 1705659015 IZBQYACGRVZMOZ-JOCHJYFZSA-N 451.531 2.483 30 10 JEEE C=C(C)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1705724455 OTFARYUONBYNKH-MRXNPFEDSA-N 456.572 2.264 30 10 JEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N(CC)Cc1nc(O)c2ccccc2n1 1705735796 FSUZUYUBFRLQPF-GOSISDBHSA-N 451.531 2.497 30 10 JEEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N1CCC(NC(=O)CCC)CC1 1705736577 WVTZZHHBSNOCBR-UHFFFAOYSA-N 458.563 2.484 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@H]1COCCO1 1705865107 RBBFLPPEQPXVGU-MOPGFXCFSA-N 464.563 2.317 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@H](c2ccco2)C1 1705894846 MWYKLYGFXNAQRM-IBGZPJMESA-N 484.944 2.335 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1ccc(C(N)=O)cc1 1705909181 POWFJBMVXXEUMR-IBGZPJMESA-N 497.600 2.388 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC[C@H](Nc3ccccc3)C2)nnc1[C@@]1(OCC)CCOC1 1705909366 VCVIFEMQRRUAQU-GBXCKJPGSA-N 454.575 2.313 30 10 JEEE CS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(Oc2cncc(Cl)n2)CC1 1712698932 CVMOCZCRDMUUEC-UHFFFAOYSA-N 487.973 2.353 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@H]1CCCN1CCCO 1722296049 ZPFZSIKFNKQUDR-PMACEKPBSA-N 477.613 2.370 30 10 JEEE C#CCN(c1nnc(-c2cc3ccccc3o2)n1CCC(=O)NCCC)[C@@H]1CCS(=O)(=O)C1 1722361563 ZVEQQEAJRGCVTQ-GOSISDBHSA-N 469.567 2.234 30 10 JEEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CCC=C(C)C)[C@H]1CCS(=O)(=O)C1 1722362788 BXYVUCQSPLSXDF-SIKLNZKXSA-N 450.605 2.302 30 10 JEEE C#CCN(c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@@](C)(O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1722364244 YLMDRBGRUHEFAA-NTKDMRAZSA-N 488.610 2.140 30 10 JEEE C#CCN(c1nnc(CCCc2ccccc2)n1CCC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1722372002 NTVUDGQLQARXBC-OAQYLSRUSA-N 456.612 2.385 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(F)ccc2Br)n1CCNC(=O)c1cc[nH]n1 1722375058 JDIXTVCCCZYDHR-UHFFFAOYSA-N 470.306 2.073 30 10 JEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@](C)(O)c1ccsc1 1722379097 LSYWQDAMZNEWAV-JOCHJYFZSA-N 468.608 2.280 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2c[nH]c3ccccc23)n1CCS(=O)(=O)N1CCSCC1 1722394514 VTUOBKWVIRKQLL-UHFFFAOYSA-N 482.635 2.268 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(C[S@@](C)=O)cc1 1722397317 IWHLTDQDPZNUNB-MGBGTMOVSA-N 463.563 2.396 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccc(N(C)C)cc2C)CC1 1722429908 USMPUFHLTMOBHN-UHFFFAOYSA-N 451.619 2.374 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CC2(S(C)(=O)=O)CC2)CC1 1722431263 NJZCXZPEPLCPJV-FQEVSTJZSA-N 471.627 2.367 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCNS(=O)(=O)CC)CC1 1722572224 MVVSARVZFGBQOH-KRWDZBQOSA-N 468.624 2.446 30 10 JEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2cc(OCC(C)(C)F)ccc2C1 1722685248 ATKAXOVTUYLPAV-HXUWFJFHSA-N 493.605 2.487 30 10 JEEE C=CCn1c(COc2ccccc2OC)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1722690834 GFADRVPHDWYNHH-ICSRJNTNSA-N 454.575 2.041 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 1722697127 WMGXNVZRQILUNW-KRWDZBQOSA-N 455.563 2.383 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCC(S(C)(=O)=O)CC1 1722731335 KNNWPDCRXAXBOC-UHFFFAOYSA-N 461.588 2.043 30 10 JEEE CS[C@@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1)C(C)(C)C 1731053332 GGWFHKCNFBFMHX-SJORKVTESA-N 470.665 2.129 30 10 JEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1C[C@@H]1CC=CCO1)[C@@H]1CCS(=O)(=O)C1 1740625124 OEHHGJCQDQMUKY-IRLDBZIGSA-N 470.595 2.044 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1740680736 MQYAWCFXXBAWJR-ACDBMABISA-N 489.642 2.485 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](NC(=O)OC(C)(C)C)C(C)C)CC1 1740689949 LCGIDVVHMJQKQU-LJQANCHMSA-N 496.616 2.230 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[C@H](C)c2ccccc2)CC1 1740701726 BWLAJHRTQXCVRK-OALUTQOASA-N 486.642 2.048 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C)n2)n1CCS(=O)(=O)N1CCSCC1 1740729597 IHXITIUJESMXCE-OAQYLSRUSA-N 460.629 2.019 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1740751582 MBOIPRRRKLLSPW-BVSLBCMMSA-N 491.633 2.059 30 10 JEEE C=CCC(C)(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1740847472 JKMZJTQOSDWEQQ-MRXNPFEDSA-N 470.599 2.418 30 10 JEEE C=CCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCCN(C(=O)C2CC2)CC1 1740884272 VLZZOTHITPCZSY-UHFFFAOYSA-N 487.626 2.390 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)c1nccs1)C1CC1 1740909953 DXDLTHJEPOPYKJ-HOCLYGCPSA-N 452.606 2.026 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1740953460 GVSVQZHOAPWWHL-MRXNPFEDSA-N 475.456 2.118 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(Cc3cccnc3)n2Cc2cccc(S(=O)(=O)NC)c2)C1 1740979621 BAHYGAFADGVMDI-HXUWFJFHSA-N 468.583 2.002 30 10 JEEE C=CCS(=O)(=O)CCn1c(N(C)C[C@@H]2CCOC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740994768 WKHRZECHFGEDKT-OKZBNKHCSA-N 483.635 2.122 30 10 JEEE CC(C)CN1CCO[C@H](Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC(CC#N)CC2)C1 1741570839 HONPAZTXIGELHD-FQEVSTJZSA-N 466.590 2.412 30 10 JEEE CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C 1741657628 AFIRROLWCDRTGM-BTYIYWSLSA-N 451.547 2.408 30 10 JEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(=O)N(C)C1CCCCC1 1748777130 ZWEIMCHUSYNIBL-UHFFFAOYSA-N 472.615 2.056 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@H](C)N1CCN(c2ccccc2)CC1)[C@@H]1CCS(=O)(=O)C1 1748801671 DJXBXQMIKFHIGJ-FYYLOGMGSA-N 498.697 2.413 30 10 JEEE C#CCN(c1nnc(C)n1Cc1cn2cc(Cl)cc(Cl)c2n1)[C@H]1CCS(=O)(=O)C1 1748804101 CURIZJULIQLRBZ-HNNXBMFYSA-N 453.355 2.216 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H](CCC)OC)[C@H]1CCS(=O)(=O)C1 1748805098 OFJKJMIQXUIEFL-JKSUJKDBSA-N 484.420 2.478 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1Cc1ccc(N2CCCC2)nc1)[C@H]1CCS(=O)(=O)C1 1748805191 PQLYHAFIIXPXAC-QUCCMNQESA-N 456.616 2.462 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1CCc1ccn(C)n1)[C@@H]1CCS(=O)(=O)C1 1748808984 OXPZAAYGBAGSIX-GOSISDBHSA-N 490.536 2.149 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)o2)n1Cc1cccc(C(=O)N(C)C)c1)[C@H]1CCS(=O)(=O)C1 1748809317 RZUDJYIFGPXNRY-FQEVSTJZSA-N 481.578 2.223 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccccc1CN1CCC[C@H]1CO 1748824884 LRSWGHCJLYDOJR-QHCPKHFHSA-N 483.576 2.003 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCc1nccc(C(F)(F)F)n1 1748876453 GNIYKTOFPWZNJN-UHFFFAOYSA-N 492.469 2.435 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(C)C)n1Cc1ccc(N2CCOCC2)nc1 1748941055 VSRWPFRYVBOWDP-UHFFFAOYSA-N 491.571 2.475 30 10 JEEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(c2cnn(C)c2)CC1 1749026029 BGSAIAXRBQYPHS-UHFFFAOYSA-N 467.599 2.389 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CC)C[C@H](O)c1ccc(C)cc1 1749038468 KIJOYDIQGNLWDD-UXHICEINSA-N 462.641 2.415 30 10 JEEE C=C(Br)Cn1c(Cc2cccnc2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1749105341 DJGBIRPIMSSJGY-UHFFFAOYSA-N 469.409 2.081 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)COC)CC1 1749135263 DCGKAJHJDCCRAJ-RDPSFJRHSA-N 480.569 2.005 30 10 JEEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1749609504 SJFISHBSOFKNKS-OAHLLOKOSA-N 457.560 2.109 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(S(C)(=O)=O)cc2)C1 1749694860 WTEDOJQIAGOPKY-GOSISDBHSA-N 482.566 2.159 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1749725727 XKCGOOHCLQWJTR-QFIPXVFZSA-N 495.609 2.136 30 10 JEEE CC(C)N(C)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(S(C)(=O)=O)CC1 1750880882 BGYSYYSKSHWOQV-UHFFFAOYSA-N 474.631 2.472 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1(N(C)C)CCOCC1 1760100463 BOIZKMAPLFOPGI-KRWDZBQOSA-N 473.647 2.115 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1CCO[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1760181496 WCLUVGPZYJBWHN-NSHGMRRFSA-N 488.610 2.404 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1CC[C@H](N1CCOCC1)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1760181825 BZHCOQFYXCRAQQ-SQNIBIBYSA-N 491.580 2.072 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@H](C)Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 1760184737 YHEUBDRXRZKSLK-QZTJIDSGSA-N 498.634 2.492 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(Br)c3)n2CC(=O)NCc2ccco2)CC1 1760254583 BPSBNUWDBDLJJR-UHFFFAOYSA-N 483.370 2.372 30 10 JEEE C=CCCOCCn1c(N2C[C@H]3NC(=O)CC[C@@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1760453459 XEOCRFQGXUFZAP-AKHDSKFASA-N 474.606 2.356 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@H](n2cncn2)C1 1760524286 UJMHNSIGXFHCNB-RBUKOAKNSA-N 499.620 2.128 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1760556423 CZWQVRPJURIRCM-UHFFFAOYSA-N 495.584 2.202 30 10 JEEE C=CCSCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1760568141 ZUDKTKLJHXPXKP-UHFFFAOYSA-N 495.653 2.443 30 10 JEEE CC(C)C(=O)NC[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCO[C@@H]2C)C1 1760843244 AHSMSCRKVUDTLD-DYRZZGSRSA-N 496.612 2.257 30 10 JEEE C[C@H](CN1CCCC1)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1761427167 CNZGKOYSPIMXGE-LJQANCHMSA-N 485.658 2.409 30 10 JEEE CCN(CC)c1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@H](CNC(C)=O)C2)cn1 1764933938 CLAVBJVZPRKVKM-HSZRJFAPSA-N 488.596 2.448 30 10 JEEE C=CCN(CC=C)C(=O)[C@H](CCC)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 1862250837 CPKSHGDKHARICG-FQEVSTJZSA-N 484.018 2.460 30 10 JEEE COc1cc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCCNC=O)cc(OC)c1O 1862488356 XWWHOMNUGMGJFI-FQEVSTJZSA-N 454.479 2.432 30 10 JEEE C[C@@H](c1ccccc1)N1C[C@@H](C(=O)Nc2c(C#N)nnn2-c2ccc(N3CCN(C)CC3)cc2)CC1=O 1870149754 OWZKXOJPGAMADH-FPOVZHCZSA-N 498.591 2.439 30 10 JEEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)c3cc(-c4ccncc4)n(C)n3)CC2)CC1 1889495269 MJFOQJGINALZCJ-UHFFFAOYSA-N 464.614 2.133 30 10 JEEE CCN1CCN(CC#CCOC2CCN(C(=O)Cn3cc(-c4ccc(F)cc4)cn3)CC2)CC1 1890414573 NWTHBWKCBKTVGZ-UHFFFAOYSA-N 467.589 2.338 30 10 JEEE CN(CC1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)CC1)c1ncccc1C#N 1891364740 JRHSSCVDWOOXGD-HXUWFJFHSA-N 475.549 2.452 30 10 JEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](NC(=O)OC(C)(C)C)CC[C@@H]1C(=O)O 2068508699 DRHFQBAPDSDXKP-OWCLPIDISA-N 453.536 2.262 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)NC[C@]1(O)CCCN(C(=O)OC(C)(C)C)C1 2081463937 DJJBNPKLCGPRED-OPAMFIHVSA-N 454.568 2.452 30 10 JEEE CC(C)(C)OC(=O)NC[C@]1(F)C[C@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2124541073 OKLMPCPARDGOIE-KIFPSNHUSA-N 450.320 2.357 30 10 JEEE CN(C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2180985130 MTDNNJWGEHEGAW-LJQANCHMSA-N 461.412 2.447 30 10 JEEE C[C@@H](C(=O)N1CCC=C(B2OC(C)(C)C(C)(C)O2)C1)N1CCN(C(=O)OC(C)(C)C)CC1=O 2189207132 TWGBNSSDBCXVNV-INIZCTEOSA-N 463.384 2.244 30 10 JEEE C=C(CS(=O)(=O)N1CCO[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2255803759 SXRCDBRVEOZDCC-CVEARBPZSA-N 460.402 2.118 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CN(c2nccc(B3OC(C)(C)C(C)(C)O3)c2F)CC[C@@H]1CO 2266058078 COQVRCYUMLMCBE-GDBMZVCRSA-N 451.348 2.232 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CC(F)(F)C1 2267138501 YDHCTGPOLKLKTA-UHFFFAOYSA-N 456.299 2.037 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](CNC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)CO1 2267159813 LVSUOFYNWWMVMX-UONOGXRCSA-N 467.397 2.102 30 10 JEEE CN(C1CN(C(=O)OC(C)(C)C)C1)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2267361412 BIUBJAHDBNEMBG-UHFFFAOYSA-N 470.372 2.365 30 10 JEEE CN(C)C(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2267419468 PQLGZFFIXKSPCM-UHFFFAOYSA-N 458.389 2.265 30 10 JEEE Cn1cc(C(=O)NC[C@@H]2C[C@@H]3[C@H]2CCN3C(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2282041594 YXDAGUDYQNQWGW-YQQAZPJKSA-N 460.384 2.095 30 10 JEEE CC(C)[C@H](CN(C)Cc1ccccc1)NS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282496086 VTVCJESIUUUVLZ-FQEVSTJZSA-N 476.452 2.154 30 10 JEEE CC1(C)OB(c2cscc2S(=O)(=O)N2C[C@@H]3OCCN(Cc4ccccc4)[C@@H]3C2)OC1(C)C 2282497446 PWYGKQQOALFIIN-UXHICEINSA-N 490.456 2.321 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2occc2B2OC(C)(C)C(C)(C)O2)[C@H](CO)CC1 2282531099 DVGMURLARKPGFK-RDJZCZTQSA-N 464.368 2.317 30 10 JEEE Cn1cc(C(=O)NC[C@H]2N(C(=O)OC(C)(C)C)CCC2(C)C)nc1B1OC(C)(C)C(C)(C)O1 2282542101 BZZIYWFRMUGVCJ-MRXNPFEDSA-N 462.400 2.485 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCC(CCNC(=O)OC(C)(C)C)CC2)n1 2282555171 OUMFDXCHWIJOKS-UHFFFAOYSA-N 462.400 2.486 30 10 JEEE Cn1ncc(C(=O)N[C@@H]2C[C@@H](NC(=O)OC(C)(C)C)C23CCC3)c1B1OC(C)(C)C(C)(C)O1 2282568805 IMLQHLMMOFERSH-HZPDHXFCSA-N 460.384 2.285 30 10 JEEE Cn1nc(C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C(F)(F)C2)cc1B1OC(C)(C)C(C)(C)O1 2282611200 HZEGSWAWAFDIEW-CQSZACIVSA-N 470.326 2.094 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCCN(CC(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C1 2283952993 NZSKUDXDNBTXRB-HNNXBMFYSA-N 480.440 2.048 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CCc2cc(B3OC(C)(C)C(C)(C)O3)ccc21 2283964578 PGTOTPFBSBBFNL-MJGOQNOKSA-N 458.364 2.245 30 10 JEEE Cn1nccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2283981295 KRGNZNZRELBIQW-QGZVFWFLSA-N 457.340 2.319 30 10 JEEE CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N1CCc2cccc(B3OC(C)(C)C(C)(C)O3)c2C1 2284040763 OWQHORSJMYKDDM-LJQANCHMSA-N 460.380 2.146 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1COC[C@H]1C(=O)N1CCc2c(B3OC(C)(C)C(C)(C)O3)cccc21 2284044446 ZXHOMLNLAFITOV-AEFFLSMTSA-N 458.364 2.415 30 10 JEEE Cc1cc(C(=O)N2CCOC3(CN(C(=O)OC(C)(C)C)C3)C2)oc1B1OC(C)(C)C(C)(C)O1 2288571258 CJFRGNSOGKDIOC-UHFFFAOYSA-N 462.352 2.349 30 10 JEEE C=CCC1(NC(=O)[C@H]2[C@@H](O)[C@@H](O)CCN2C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)CC1 2357899323 NSMIYLBWDUAZCS-KSZLIROESA-N 483.606 2.180 30 10 JEEE Cn1cc(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 2359268338 INCAWYLWIROBOP-UXLLHSPISA-N 460.384 2.237 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H](F)C[C@H]2CNC(=O)OC(C)(C)C)n1C 2362489791 LQQGGIPTXIAEBG-CABCVRRESA-N 466.363 2.105 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(C)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1F 2369668348 BGSHLTNKLUWDRL-HUUCEWRRSA-N 466.363 2.057 30 10 JEEE CCOc1ccc(NC(=O)CSc2n[nH]c(N/N=C/c3c(C)nn(CCO)c3C)n2)cc1 59887572 ZFRVEDYVXQIKQP-SRZZPIQSSA-N 458.548 2.186 30 10 JEEE COc1ccccc1CNc1nc2c(c(=O)[nH]1)[C@H](c1ccc3c(c1)OCCO3)[C@@H](C#N)C(=O)N2 72472355 PPCCOEOMUJWIGS-DNVCBOLYSA-N 459.462 2.386 30 10 JEEE C[C@H]1C[C@H]1c1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(Cc3ccccc3)c2=O)o1 610487515 OBCZUDRXJLZLLW-FXAWDEMLSA-N 475.570 2.036 30 10 JEEE COc1cccc(C=NNc2nnc(SCC(=O)Nc3ccc(OC)cc3OC)n2N)c1 1084067711 IABWGZKLMODJSR-UHFFFAOYSA-N 457.516 2.195 30 10 JEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1286356751 USKBOUNLSBEEMP-UHFFFAOYSA-N 460.567 2.276 30 10 JEEE C#CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CC(=O)N1CCN(c2ccccc2)CC1 1286363563 VTSUHHARCKPZTF-UHFFFAOYSA-N 482.386 2.454 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1Cc1cccc(Br)n1)[C@H]1CCS(=O)(=O)C1 1286386988 LRVYZHHCKZTFMU-INIZCTEOSA-N 489.399 2.116 30 10 JEEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1CC1CCN(C(=O)OC)CC1 1286433952 QQFRNFUPQFRFQR-UHFFFAOYSA-N 468.583 2.211 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(F)cc2Br)n1C[C@H]1COCCO1 1286464049 ZELQNUJUQFASIK-HNNXBMFYSA-N 453.312 2.348 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2Cc2ccc(NC(C)=O)nc2)CC1 1286489121 GPDIBBKCIXZMMS-UHFFFAOYSA-N 487.564 2.321 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2Cc2ccc(NC(C)=O)nc2)CC1 1286490066 KUIWDDPSRGFDNU-UHFFFAOYSA-N 487.564 2.321 30 10 JEEE C=CC[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCN(CC(=O)NCC)CC1)c1ccccc1 1286679651 SBTOVXZVRDACJX-YADHBBJMSA-N 452.603 2.400 30 10 JEEE C=CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1286705093 PUYONYDSLZVGAB-PNJWGLBASA-N 474.650 2.347 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(=O)NC(C)C)n1CC1CCS(=O)(=O)CC1 1286738758 CGYLXCHPQIGDFI-UHFFFAOYSA-N 475.615 2.442 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2CC2(O)CCN(C(C)C)CC2)c1 1300334033 HGNHFUMDERNHPL-QFIPXVFZSA-N 494.640 2.464 30 10 JEEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCNC(=O)Cc1cccc(F)c1 1300459705 VOBLQEFAVLLKMC-UHFFFAOYSA-N 476.560 2.020 30 10 JEEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2CC2(O)CC(OCC)C2)CC1 1300708590 VVJMZTAQJPVMEQ-UHFFFAOYSA-N 453.587 2.159 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCN(C)Cc2ccccc2)CC1 1300719907 VDLCWXDQCDWAAQ-UHFFFAOYSA-N 459.598 2.381 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCCN(C)c2ccccc2)CC1 1300724681 BTZUGIKQCNMRBM-OAQYLSRUSA-N 450.587 2.274 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(OCC2CC2)CC1 1300848298 CPRYFUYLJULYNV-OAHLLOKOSA-N 459.410 2.484 30 10 JEEE C=C(C)COCCn1c(-c2ccc(Cl)cc2OC)nnc1N(C)CC(=O)N1CCOCC1 1300981336 YBAGYBFCKKBRFE-UHFFFAOYSA-N 463.966 2.495 30 10 JEEE C=CCC(C)(C)Cn1c(N2CCN3C(=O)N(CC)C(=O)[C@@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1301158978 RJRZPFQIPPMUAH-UUOWRZLLSA-N 474.606 2.394 30 10 JEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1301258346 QKQMDPQKILFBHJ-QHCPKHFHSA-N 498.653 2.357 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)C1CC1 1301363254 QGURNBUYERXLOW-GHTZIAJQSA-N 481.644 2.026 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC(CC(=O)NC)CC1 1301484022 ZNDDNNUUCLYGKR-UHFFFAOYSA-N 461.570 2.456 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1301514501 JXIMMDOAYFFWCK-RHSMWYFYSA-N 469.464 2.324 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@@H](Cn3cc(C)cn3)C2)cc1 1301520663 LCWYBKYPBAVMMO-JOCHJYFZSA-N 479.585 2.440 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](C(=O)OC)C1 1301520957 VJNSLFTWZHGPDT-SJORKVTESA-N 476.578 2.042 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1csc(Br)c1 1301587071 XHSRTLLTGICXET-ZDUSSCGKSA-N 488.433 2.290 30 10 JEEE CC[C@H](C#N)Oc1cc(CNS(=O)(=O)c2ccc(F)c(S(C)(=O)=O)c2)ccc1OC 1309182551 GPDBGSAUXVFZKA-CQSZACIVSA-N 456.517 2.397 30 10 JEEE CSC[C@@H]1CCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCS(=O)(=O)C1 1316440735 CFHKFDRHRJYZEV-MSOLQXFVSA-N 461.613 2.495 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CCC2(OC)CCC2)c1 1358900154 CHKJYHUBWWHWPU-UHFFFAOYSA-N 452.559 2.432 30 10 JEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1C[C@H]1CC(F)(F)CO1)[C@H]1CCS(=O)(=O)C1 1358966834 XSICYSUEPGQOTD-AZUAARDMSA-N 494.564 2.123 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1359010247 KPDBSHBLQCGPLH-QZTJIDSGSA-N 465.620 2.287 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(N(C)C)CCSC1 1359017313 ZSYAQVQROBEFCR-XXBNENTESA-N 491.658 2.396 30 10 JEEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1359059814 AWYFCBQOASDVNQ-KRWDZBQOSA-N 475.640 2.410 30 10 JEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cnn(Cc3ccccc3)c2)CC1 1359159006 KIZAUNGQHMLJCX-SFHVURJKSA-N 455.588 2.338 30 10 JEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](N(C)Cc2ccccc2)C1 1359215450 BRGGFJNTTAAVFQ-YADHBBJMSA-N 488.658 2.288 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@]1(O)CCSC1 1359262113 IEGQFCHGGFQNEX-KBXCAEBGSA-N 457.647 2.010 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1C[C@@H](C(=O)NCCCC)CC[C@@H]1C 1359298797 MLLXMDDVEWHIFD-OALUTQOASA-N 453.591 2.472 30 10 JEEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCN(c2ncccc2F)CC1 1359303339 KSVBEXCCDGEBDE-UHFFFAOYSA-N 465.533 2.063 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@](O)(c2ccccc2)C(F)(F)F)C1 1359320486 RASFBKATQUYGIY-CBGDNZLLSA-N 465.476 2.461 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](C)Oc2cccc(OC)c2)C1 1359322468 WDCQKLWYRARGNI-LVCYWYKZSA-N 476.599 2.438 30 10 JEEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](c2ccc(CC)cc2)c2cccc(F)c2)CC1 1477335594 KJPHCCMNIHPXAO-QFIPXVFZSA-N 458.559 2.272 30 10 JEEE CCN1CCN(C[C@@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N(CC)[C@@H]2CCS(=O)(=O)C2)CC1 1502340398 FWYJIOIHZCJGEF-NFBKMPQASA-N 499.685 2.104 30 10 JEEE CO[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1)C(C)(C)C 1503970184 FHDZOJJSIGIADQ-OAQYLSRUSA-N 481.601 2.452 30 10 JEEE C#CCCCn1c(N2CCN(C(=O)[C@H]3CCCO3)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1507598468 FZMLTLCTEFJLAX-HSALFYBXSA-N 486.617 2.290 30 10 JEEE C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@H]1CCCc2cccnc21)[C@H]1CCS(=O)(=O)C1 1507624589 BWHXDEXHBZFGFD-TYPHKJRUSA-N 487.626 2.144 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccc(C(F)(F)F)cc1)[C@H]1CCS(=O)(=O)C1 1507632050 IPEOEQLPWLTUQH-AEFFLSMTSA-N 468.501 2.476 30 10 JEEE C#CCN(c1nnc(-c2cn(C)c3ccccc23)n1C[C@H](C)COC)[C@@H]1CCS(=O)(=O)C1 1507632137 XKDVLOZCLQFXSD-ZWKOTPCHSA-N 455.584 2.346 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(=O)N(C)C1CCCCC1 1507648146 KWHXIXAMZIYJRX-UHFFFAOYSA-N 471.565 2.056 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)c2cccc(OC)c2)CC1 1507716679 STUTWLYCQJQQKN-UHFFFAOYSA-N 450.587 2.256 30 10 JEEE C=C(C)Cn1c([C@H]2COc3ccccc3O2)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1507830636 NSYFQVCLVRXTNG-YLJYHZDGSA-N 462.572 2.397 30 10 JEEE C=C(C)COCCn1c(N2C[C@H]3NC(=O)CC[C@@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1507847203 DASUNCPWKHHQKW-AKHDSKFASA-N 474.606 2.356 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc3ccccc3o2)nnc1N1CCN(CCOC)[C@@H](C)C1 1508133214 DXYDTRVYECJBIM-SFHVURJKSA-N 473.599 2.449 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1508136049 PAPNXAHQTRYKMO-IXFSTUDKSA-N 476.599 2.327 30 10 JEEE CC[C@H](C)[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2C#N)CC1)OC 1512759816 HDGRMCODXUGUDN-HFSMHLIXSA-N 451.575 2.489 30 10 JEEE CO[C@@]1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(NC(=O)C(C)C)CC2)CCOC1 1517946734 DKITVYHYKHIFPM-RUZDIDTESA-N 482.585 2.275 30 10 JEEE C#CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1539097211 FXWZLFXZBDWPGN-YADARESESA-N 480.613 2.365 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1ccc(F)cn1)[C@@H]1CCS(=O)(=O)C1 1539206694 UYXZGKYRZFLMSO-LJQANCHMSA-N 470.486 2.062 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@H]2CCSC2(C)C)CC1 1539469771 VBZOJTPKMFBBFE-IEBWSBKVSA-N 463.648 2.500 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CC)Cc1ccc2c(c1)OCO2 1539517096 ILSGJDXITWJSRH-KRWDZBQOSA-N 462.597 2.302 30 10 JEEE C=CCC(C)(C)Cn1c(Cc2cn3ccccc3n2)nnc1N(C)CC(=O)N1CCOCC1 1539923525 BRUYWDWXRAMFQC-UHFFFAOYSA-N 451.575 2.414 30 10 JEEE C=CCCOCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@@H](NC(C)=O)C1 1540034272 ZCDSEDNFCNYPRE-QGZVFWFLSA-N 451.531 2.292 30 10 JEEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](c2ccc(F)cc2)C1 1540038339 ZTSKCLYSJAXIOM-FPOVZHCZSA-N 493.605 2.337 30 10 JEEE C=CCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 1540856913 HHSVHOLWAWSTAA-UHFFFAOYSA-N 474.612 2.464 30 10 JEEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCO[C@H](C(C)(C)C)C1 1540869481 ONWRSESUOZNLFW-KRWDZBQOSA-N 451.531 2.147 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N(C)Cc1c(C)nn(C)c1C 1540871550 NZQPEBTUKKDFKX-FQEVSTJZSA-N 451.531 2.080 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CC[C@H](CN3CCOCC3)C2)cc1 1540877427 UQBJMBJWMUEDEL-OAQYLSRUSA-N 468.602 2.188 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H](COC)OC)C1 1540884174 LPTTZYFAIDWIAQ-CVEARBPZSA-N 454.369 2.489 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3OC)n2CCS(=O)(=O)N2CCSCC2)C1 1540888805 YMJPNGYTXXWXMS-SFHVURJKSA-N 493.655 2.114 30 10 JEEE CC(C)(C)S(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(C#N)CC1 1541232192 CRCXJBZIZORNGH-UHFFFAOYSA-N 486.646 2.405 30 10 JEEE C=CCNS(=O)(=O)c1ccc(C(=O)N(CC(=O)OC)Cc2cc(Cl)ccc2O)cc1 1566849346 KJPWMYVVVYWVOV-UHFFFAOYSA-N 452.916 2.325 30 10 JEEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@H](NC(C)=O)C1 1587718318 CGGGPZITNCMOKY-HXUWFJFHSA-N 472.615 2.104 30 10 JEEE C#CCN(c1nnc(-c2ccc(OCC)c(OC)c2)n1CC1(O)CCCC1)[C@H]1CCS(=O)(=O)C1 1588040906 RSYMDPMMEXSPLZ-IBGZPJMESA-N 488.610 2.284 30 10 JEEE C#CCN(c1nnc(COc2ccccc2CC)n1Cc1cc(C)nn1C)[C@@H]1CCS(=O)(=O)C1 1588069248 KEWCQYGOOIVDAF-HXUWFJFHSA-N 482.610 2.136 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CCCc1c[nH]nc1C)[C@@H]1CCS(=O)(=O)C1 1588069296 LCWWVBLIYRDDGB-OAQYLSRUSA-N 493.593 2.020 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1(C(=O)NCC)CCC1 1588214008 FHRWDLMPBKRIHB-UHFFFAOYSA-N 481.626 2.008 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCn2cc(Cl)cn2)CC1 1588732825 HDUGGWWAUXNGQX-UHFFFAOYSA-N 487.395 2.167 30 10 JEEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)Nc2ccccc2CC)CC1 1589068987 GWZBVQLYGYNPFN-OAQYLSRUSA-N 482.654 2.472 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OCC)cc1)C1CC1 1595058923 XEBILHJPAWLTQL-FQEVSTJZSA-N 461.588 2.213 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCN(CC2CCOCC2)CC1 1595577012 GDFFYUVRWNZTPK-UHFFFAOYSA-N 489.020 2.361 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1595772996 LTAXQKJDAFSZBY-INIZCTEOSA-N 481.022 2.287 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 1595798775 SPMAGKNMKWFFBD-UHFFFAOYSA-N 461.563 2.134 30 10 JEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(c2nccs2)CC1 1595885036 ZBPFOOMWKIHSNP-MRXNPFEDSA-N 468.674 2.273 30 10 JEEE C[C@@H]1OCC[C@@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1613025696 GKAUFCQDPVAHNM-OYHNWAKOSA-N 492.502 2.252 30 10 JEEE CCNC(=O)C(C)(C)Cn1c([C@@H](C)CC)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1615902903 FLJRNYWUZDTMGX-INIZCTEOSA-N 455.611 2.194 30 10 JEEE CNC(=O)C(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CN2CCOCC2)CC1 1618526176 BDVQTMJMGWZJJP-UHFFFAOYSA-N 495.628 2.050 30 10 JEEE C=C(CCC(=O)OC)C(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 1636458107 XJYDUDSLQKOYLT-MSOLQXFVSA-N 451.564 2.250 30 10 JEEE C=C(C)C[C@H](CO)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1 1643543655 YOUUMAHNRGBCPN-CHWSQXEVSA-N 451.408 2.355 30 10 JEEE COC(=O)[C@@H](NCC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)c1ccccc1OC(F)(F)F 1655604678 DFWBISZLDVCDLF-LPHOPBHVSA-N 456.465 2.081 30 10 JEEE C=CCS(=O)(=O)CCNC(=O)N1CCN(Cc2csc(-c3ccc(F)cc3)n2)CC1 1680686524 ZUIVYVMQEIVVIZ-UHFFFAOYSA-N 452.577 2.377 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1689824404 ORYHKIREBANMNA-ROUUACIJSA-N 453.591 2.323 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCCO3)n2CC2(O)CCOCC2)c1 1689871982 KOXORGQRIAIRHQ-FQEVSTJZSA-N 453.543 2.117 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1689983861 IFAVGSIPNAWRMW-GDBMZVCRSA-N 453.971 2.314 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1CCC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1689996235 FPFITYJDGZTTGT-LJQANCHMSA-N 460.600 2.262 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H]1CCOC[C@@H]1C 1690101261 UVTKDCJIHUDSDJ-OALUTQOASA-N 464.570 2.434 30 10 JEEE C#CCN(CCOC)c1nnc(Cc2ccccc2F)n1Cc1ccc(N2CCOCC2)nc1 1690104675 DVAIMIDTXKKMDC-UHFFFAOYSA-N 464.545 2.374 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@](C)(O)c2ccccc2)CC1 1690148341 DANNEPAVUMXBGL-SANMLTNESA-N 458.566 2.137 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccn2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1690243063 GXTCNHGGZNXOLZ-YLJYHZDGSA-N 460.604 2.182 30 10 JEEE C=CCCCn1c([C@@H]2CCCOC2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1690483055 HIJHEYSLZJDTMV-HXUWFJFHSA-N 458.607 2.079 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCN1C[C@@H](C)O[C@H](C)C1 1705490108 CFSQKSWGWJILAU-IPMKNSEASA-N 463.586 2.149 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1CCc1ccc(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1705570879 VBRWSRGTKBWMIW-IBGZPJMESA-N 458.584 2.117 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@]2(O)CCSC2)CC1 1705646662 MRBHSTYYTKPVFU-JOCHJYFZSA-N 460.003 2.432 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@H]2CCN(CC(F)(F)F)C2)CC1 1705649174 NCARMNWUBHPFSX-KRWDZBQOSA-N 475.519 2.190 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2CC2(O)CC(OCC)C2)CC1 1705650238 OFHNIKLTHUUWHE-UHFFFAOYSA-N 465.598 2.073 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@H]2CCOC[C@H]2OC)CC1 1705651416 WHEXQVFEGVPCQT-LADGPHEKSA-N 495.624 2.491 30 10 JEEE C=C(C)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1705721423 ZATAPYLQRRAOTQ-NRFANRHFSA-N 496.612 2.118 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCCN(C(C)C)C2)CC1 1705782097 OWLAWDYPAXZRMT-LEWJYISDSA-N 480.679 2.134 30 10 JEEE C=CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1NC(=O)CC1(C)C 1705881447 ORXZICQVFQPHSA-QGZVFWFLSA-N 489.646 2.100 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 1705902287 AXOPKMZRFHPKOP-QUCCMNQESA-N 458.607 2.297 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(C(=O)NCC)CC1 1705930496 OQCHVDOHKRBREK-FQEVSTJZSA-N 474.631 2.272 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1705937511 WMTJMWAEOLTWOQ-INIZCTEOSA-N 477.553 2.116 30 10 JEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1Cc2ccoc2CC(C)(C)C1 1705938229 RKTVWEJNRMHVBB-UHFFFAOYSA-N 461.588 2.183 30 10 JEEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ncccc2C#N)CC1 1705939803 MNHAIIGSJYJEDT-UHFFFAOYSA-N 452.588 2.027 30 10 JEEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@H]2CCOC2)n1CCSC(F)(F)F 1708152318 CTFFTVUSRAMNSZ-KBPBESRZSA-N 468.509 2.412 30 10 JEEE CCCOc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@]2(O)CCO[C@@H]2C)cc1OC 1709859593 HMULLGWWGPGRLS-JTUHZDRVSA-N 457.531 2.011 30 10 JEEE COC[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCOCC2)C1 1712254187 FGVBEYFAEDNLSM-OAQYLSRUSA-N 454.575 2.314 30 10 JEEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1722332525 MGQKMXGMULXPDX-LEWJYISDSA-N 488.633 2.158 30 10 JEEE C#CCCCn1c(N2Cc3c(OC)ccc(OC)c3[C@@H](O)C2)nnc1[C@@]1(OCC)CCOC1 1722338217 GOVHSEZFIPDVPH-MHECFPHRSA-N 456.543 2.414 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1Cc1ccc(OC)nc1)[C@H]1CCS(=O)(=O)C1 1722360438 UIVNXPFNTAFPAE-IBGZPJMESA-N 497.577 2.041 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCC[C@@H]1OC 1722375101 JTGCGGKXABTOLI-FPOVZHCZSA-N 455.584 2.083 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1cccc(N2CCOCC2)n1 1722376136 XLVZGITZRXJAIQ-UHFFFAOYSA-N 457.494 2.206 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@](C)(O)[C@H](C)CC 1722446550 CZBRSOJVEFFSPX-OSPHWJPCSA-N 452.559 2.075 30 10 JEEE C=C(C)Cn1c([C@H](C)OCCOC)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1722519609 FQLNEUICRZHEMV-KRWDZBQOSA-N 467.567 2.228 30 10 JEEE C=C(C)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1722523083 ZDLIGGSNXDGNRJ-SFHVURJKSA-N 499.641 2.407 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCS(=O)(=O)C1 1722659845 DZXVNMUAHDWVKU-HKUYNNGSSA-N 496.630 2.337 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1722694085 KXPYUKOTXHIUPQ-IBGZPJMESA-N 451.575 2.101 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC(n2cc(Cl)cn2)CC1 1722726538 FWCQMFQETVMIPQ-MRXNPFEDSA-N 469.011 2.464 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCS[C@H](C)[C@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 1722736833 KFTRPJOPYPKWJG-MBOZVWFJSA-N 458.650 2.250 30 10 JEEE CC(C)N(C)CCCn1c(Cc2cccnc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1723525097 CZXWKLHQXWSILH-FQEVSTJZSA-N 474.617 2.371 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1723600501 FPSVGJMLKVKSDF-KOSHJBKYSA-N 466.590 2.215 30 10 JEEE CCOC1CC(O)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(N(C)C(C)=O)CC2)C1 1728937155 AEZCVPCEZAFMQX-UHFFFAOYSA-N 452.559 2.194 30 10 JEEE CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1Cc1cccc(NC(C)=O)c1 1729066567 GHYNEUPFNGTHNG-UHFFFAOYSA-N 460.542 2.415 30 10 JEEE COCCN(C)CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@](F)(C#N)C1 1730732883 ANNSJGVQEWIBPG-WZONZLPQSA-N 479.601 2.413 30 10 JEEE COCCN(CCC#N)c1nnc([C@@H]2CCCCO2)n1C[C@@]1(N2CCOCC2)CCSC1 1730762155 ATTNNEHWYXLCCV-UGKGYDQZSA-N 464.636 2.094 30 10 JEEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@H]2CCCCO2)CCN1S(C)(=O)=O 1731153100 CZPBJIGWTQJZGU-AZUAARDMSA-N 488.614 2.158 30 10 JEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@](C)(O)c1ccc(F)cc1 1740607236 JNQOTAWPBIMZHQ-JOCHJYFZSA-N 456.547 2.354 30 10 JEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cccc(C(=O)N(C)C)c1 1740610476 BWYBYFIQWVMLCN-HXUWFJFHSA-N 482.585 2.406 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@]1(C)CCCS1)[C@@H]1CCS(=O)(=O)C1 1740615635 IEGOEYNORVUFJY-UTKZUKDTSA-N 467.661 2.109 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCN1CCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1740619560 KGUCZVDYJVINON-UYAOXDASSA-N 457.600 2.065 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@H](C)Oc1ccccc1F)[C@H]1CCS(=O)(=O)C1 1740624233 FAZAIFJTWXRLPZ-ICSRJNTNSA-N 483.569 2.497 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CCOCC(F)F)[C@H]1CCS(=O)(=O)C1 1740626032 RNWVWIVXDBHMLY-AWEZNQCLSA-N 474.480 2.056 30 10 JEEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1CC1CN(C(=O)OC(C)(C)C)C1 1740658219 ICKWDZAJXIKISO-UHFFFAOYSA-N 451.575 2.470 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2CCc2ccc(S(C)(=O)=O)cc2)CC1 1740702376 NCHKAGDRUUCHMT-GOSISDBHSA-N 471.627 2.404 30 10 JEEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CCc1cnccn1 1740710927 DVUOWDRWBNKMEG-UHFFFAOYSA-N 456.597 2.184 30 10 JEEE C#CCSCCn1c(COc2ccc(C)c(C)c2)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1740721936 YLBAEIJFERJOLG-HXUWFJFHSA-N 472.636 2.467 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccsc2)nnc1N1CCN(CC(=O)NCC)CC1 1740761772 AILDYCXJWRBCLN-SIKLNZKXSA-N 458.632 2.170 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1C[C@@H](C)O[C@H](C)C1 1740774417 SJVGUCOUTOCASK-LMMKCTJWSA-N 455.625 2.217 30 10 JEEE C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1740800701 HOQCCKVKMCCZNQ-QGZVFWFLSA-N 456.938 2.397 30 10 JEEE C=C(Cl)Cn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@@H](CNC(C)=O)C1 1740804281 VAEOBTJZUGHTTI-AWEZNQCLSA-N 457.760 2.140 30 10 JEEE C=CCN(CC=C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC1(O)CCS(=O)(=O)CC1 1740929737 GFNOSTXQQQJXLR-UHFFFAOYSA-N 468.583 2.249 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1740952404 CZWRHOYZVMOHQY-CGTJXYLNSA-N 456.522 2.107 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC(Oc2ccc(F)cc2F)CC1 1740957334 KBPBMCPCYSJRGH-UHFFFAOYSA-N 457.485 2.307 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCS[C@H](C)C1 1740985923 NOILYBUONGEWIU-OAHLLOKOSA-N 484.047 2.404 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1 1740991609 AKZOVIZSOQYMKY-FHWLQOOXSA-N 495.646 2.219 30 10 JEEE C=CCSCCn1c(N2CCN(c3cccnn3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1741005058 RUVUZMFXFJFHIM-QFIPXVFZSA-N 459.620 2.355 30 10 JEEE C=CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1741005491 LEJZZOQMCRZDHR-KRWDZBQOSA-N 457.629 2.365 30 10 JEEE CC(C)Oc1ccccc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1741739695 GKGCTHMPIDDOQW-OAQYLSRUSA-N 488.614 2.186 30 10 JEEE CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCOC[C@@H]2C)CC1 1746134683 DQFVWXVHJGVOPY-NZQKXSOJSA-N 479.629 2.480 30 10 JEEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@]2(C)CCCO2)c1 1747600520 BSTBJINTUXPNGA-NHCUHLMSSA-N 462.551 2.206 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(=O)NC1CCCCC1 1748670919 DTOCOXDIXRHRTH-GOSISDBHSA-N 450.591 2.359 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H](C)c1ccc(OC)cc1 1748672166 QVORXHRSBMCZMQ-BBTUJRGHSA-N 475.615 2.271 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2Cc2ncnn2C(C)(C)C)c1 1748692215 DUCLCEWMXCKPIS-SFHVURJKSA-N 462.558 2.233 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(C)cc1F)[C@@H]1CCS(=O)(=O)C1 1748804758 KONKJPKBOOVBGT-YKSBVNFPSA-N 490.601 2.441 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1748808241 ITFMTZRUQJHVCO-KRWDZBQOSA-N 495.447 2.148 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H](C1CCCCC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1748824075 IICVINSSHBYMJH-NJDAHSKKSA-N 463.648 2.267 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1CC1=CCCOC1)[C@@H]1CCS(=O)(=O)C1 1748825033 VOZKLDDCGHHTFF-OAQYLSRUSA-N 470.595 2.447 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@](C)(O)c1ccsc1 1748842720 TZBRMYXBQWTNMR-XMMPIXPASA-N 458.547 2.234 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1c(CC)nn(C)c1OC 1748887142 VHVPIDNOONNPAQ-UHFFFAOYSA-N 484.564 2.008 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCCOCCOC)CC1 1748990824 LWUIHICUMLFKHQ-NRFANRHFSA-N 490.649 2.201 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCNC(=O)c2cccc(OC)c2)CC1 1749000115 NLZLGHKFDGITEI-DHIUTWEWSA-N 494.640 2.391 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCC(=O)N(C)C)CC1 1749005899 AFCAYRFEHCQTRI-UHFFFAOYSA-N 460.941 2.182 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(OC(F)F)cc2)CC1 1749009687 VPVOERAIHSETAY-UHFFFAOYSA-N 469.496 2.294 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1749015405 VHVBQGASFGAEFY-FQEVSTJZSA-N 484.551 2.028 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1749175910 UFDASODYZUMBGJ-HXUWFJFHSA-N 488.658 2.320 30 10 JEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](CC)Oc1cccc(F)c1 1749489333 UPBWPIGHQRIJAH-IEBWSBKVSA-N 467.567 2.230 30 10 JEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(Cc2cccc(Cl)c2)CC1 1749677586 DVQXABYMEUMFIF-UHFFFAOYSA-N 483.020 2.418 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2nc(C(C)(C)C)cs2)C1 1749698145 QRAKRJHXAJVLDD-LSDHHAIUSA-N 468.649 2.472 30 10 JEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@](C)(O)c1cc(C)oc1C 1760169819 DMAOXSWETQTEMZ-QFIPXVFZSA-N 456.572 2.425 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC[C@@H]1CCO[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1760189409 OWIYSPFYKLXEQO-ZCNNSNEGSA-N 457.600 2.480 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@]1(C)CCCO1)[C@H]1CCS(=O)(=O)C1 1760192935 ZVUQRJCKGIUIGX-CVDCTZTESA-N 458.584 2.361 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@@]2(C)COCCO2)CC1 1760255531 DDAUKRDYKLVCQY-VWLOTQADSA-N 469.586 2.302 30 10 JEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cc(F)ccc2F)CC1 1760272226 CZUUOLAUPDOTJB-UHFFFAOYSA-N 460.554 2.485 30 10 JEEE C#CCSCCn1c(N2CCN3C(=O)N(CC(C)C)C[C@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1760286072 AZQQWEHYSHUFSM-YKSBVNFPSA-N 490.674 2.267 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCCN(CCC)C(=O)C1 1760313312 LZVVAGICYQYOPF-GHTZIAJQSA-N 467.574 2.355 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccc(C)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1760323971 HMVODAYXUATHAU-PXDATVDWSA-N 482.629 2.357 30 10 JEEE C=C(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1760342493 DTWMHJKMNCVBQT-HNNXBMFYSA-N 465.576 2.017 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CN(C)CCCC)CC1 1760346080 HQHZXFJHZLFIQW-FQEVSTJZSA-N 468.668 2.135 30 10 JEEE C=CC1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCNS(=O)(=O)CC)CC1 1760398786 MODOIYRSXDMHRE-UHFFFAOYSA-N 481.644 2.080 30 10 JEEE C=CCCOCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1760448247 ZKEHZHUGDCKWQH-UHFFFAOYSA-N 477.587 2.127 30 10 JEEE Cc1ccc(-c2nnc(N3CCCN(c4ccccc4C#N)CC3)n2CCS(=O)(=O)N(C)C)o1 1761756899 CNRLFFBAKQLHGA-UHFFFAOYSA-N 483.598 2.326 30 10 JEEE CCN(c1nnc(COc2ccc(C#N)cc2)n1Cc1ncccc1N(C)C)[C@@H]1CCS(=O)(=O)C1 1766510150 GYEJLRXNTLRVHV-LJQANCHMSA-N 495.609 2.251 30 10 JEEE CN(CC(=O)N1CCOCC1)c1nnc(COc2ccc(C#N)cc2)n1CCSC(F)(F)F 1767008481 GKVBPRPLBLIZOT-UHFFFAOYSA-N 484.504 2.277 30 10 JEEE O=C(C1=C(O)C(=O)N(CCCN2CCCC2=O)[C@H]1c1ccc(O)c(O)c1)c1cccc(O)c1 1862592224 YBBQZQABHUWGHI-NRFANRHFSA-N 452.463 2.394 30 10 JEEE COc1ccc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2CCNC(C)=O)cc1OC 1862746121 ZEGGYIAWXDVCHB-HXUWFJFHSA-N 469.450 2.326 30 10 JEEE N#Cc1cnn(-c2ccccc2F)c1NC(=O)[C@@H](CCC(N)=O)NC(=O)OCc1ccccc1 1866116629 LFHZCNRPLILHRS-GOSISDBHSA-N 464.457 2.382 30 10 JEEE CCCc1nc(Nc2ccccc2C#N)cc(N2CCN(C(=O)CCN3CCOCC3)CC2)n1 1868399077 ZCLHTRNUKMWNBJ-UHFFFAOYSA-N 463.586 2.415 30 10 JEEE CCOC(=O)CN(C)C(=O)[C@H](CCSC)NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1 1868781878 BRMXYCCOTSXGMV-ZWKOTPCHSA-N 480.656 2.284 30 10 JEEE Cc1cc(C)c(Cn2nnc(C#N)c2NC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)c(C)c1 1870110654 BRNDGCNMRZOMKE-UHFFFAOYSA-N 473.449 2.266 30 10 JEEE CNC(=O)COc1cn(CCCN(C)C)c(CSc2nc(C)c(C)c(C)c2C#N)cc1=O 1870304208 GKZHGUCQQVBEOV-UHFFFAOYSA-N 457.600 2.409 30 10 JEEE C#CCOc1cn(Cc2ccccn2)c(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1=O 1870563653 KJJMTVQFIVSHFE-UHFFFAOYSA-N 472.545 2.350 30 10 JEEE C=CCN=c1nc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)[nH]c(=Nc2cccc(N(C)C)c2)[nH]1 1871619104 YDCLHVUQPBDOCM-UHFFFAOYSA-N 475.557 2.358 30 10 JEEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)N1CCN(c3ncccn3)CC1)n2CCCOC 1873559375 SVKBQNOHKWSWOS-UHFFFAOYSA-N 476.585 2.399 30 10 JEEE CC(C)C[C@H](C(=O)O)N1C(=O)c2ccc(C(=O)Nc3c(C#N)cnn3-c3ccccn3)cc2C1=O 1873681425 BTWIHNVAOJCGDK-GOSISDBHSA-N 472.461 2.487 30 10 JEEE CN(c1cc(C#N)ccn1)C1CCN(C(=O)C[C@@H]2CSc3nc4c(c(=O)n32)CCC4)CC1 1890321031 BBHRXKMMBKQYCV-QGZVFWFLSA-N 450.568 2.163 30 10 JEEE CCN1CCN(CC#CCOC2CCN(C(=O)CCc3ccc(OC)c(OC)c3OC)CC2)CC1 1890511872 KBJNKJXYNUUVCY-UHFFFAOYSA-N 487.641 2.294 30 10 JEEE CCOc1ccc(S(=O)(=O)N2CCC(OCC#CCN3CCN(C(C)C)CC3)CC2)cc1F 1890659035 BOHAOHQYKUXUDF-UHFFFAOYSA-N 481.634 2.424 30 10 JEEE CC(C)NC(=O)[C@H](C)N1CCN(C(=O)[C@H]2SCC(=O)N(C(C)C)[C@H]2c2ccc(C#N)cc2)CC1 1892246341 CNUWEPHHWCGJRR-TZYHBYERSA-N 485.654 2.009 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H]1CNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2247954358 ZSLZJEIKFVNBIX-CYBMUJFWSA-N 458.411 2.335 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC1CN(C(=O)OC(C)(C)C)C1 2255744262 JMJAFGQRGZLJTB-UHFFFAOYSA-N 452.382 2.192 30 10 JEEE Cc1cc(S(=O)(=O)N[C@@H](C)CNC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2255747398 KBTLIJJFPCKGLP-HNNXBMFYSA-N 454.398 2.486 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2255880126 ZWKOSQCJAXMTNP-UONOGXRCSA-N 452.382 2.005 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)[C@@H](F)C1 2256640114 MZJGCBBNBIIREE-KGLIPLIRSA-N 455.361 2.264 30 10 JEEE CN1CCN(C(=O)OC(C)(C)C)C[C@H]1CNC(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2266999930 QKNPOKNXIBNNLO-OAHLLOKOSA-N 465.425 2.328 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H](C)C2(O)CN(C(=O)OC(C)(C)C)C2)s1 2267109274 NJWUQYIDYIPBLR-AWEZNQCLSA-N 466.409 2.456 30 10 JEEE Cn1cc(C(=O)N[C@H](CNC(=O)OCc2ccccc2)C(F)(F)F)nc1B1OC(C)(C)C(C)(C)O1 2267503285 BAQVPIDVILZYBK-MRXNPFEDSA-N 496.295 2.306 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@H]1CNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2267706354 WTFFVTXEUGYTJO-AWEZNQCLSA-N 487.453 2.261 30 10 JEEE C[C@H](CCNC(=O)OC(C)(C)C)CCNC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2268706967 OVKPWDIYTNXCFV-HNNXBMFYSA-N 450.389 2.390 30 10 JEEE C[C@@H](c1nscc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)[C@H](O)CCNC(=O)OC(C)(C)C 2268789773 DGDWNJPWBRMDGE-DZGCQCFKSA-N 469.413 2.237 30 10 JEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CCNC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2281820801 HQWMNRFCMWHNBA-JKSUJKDBSA-N 462.400 2.342 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2CC[C@]2(NC(=O)OC(C)(C)C)C1 2281968723 FSUXBDSACMZNBR-CMJOXMDJSA-N 460.384 2.332 30 10 JEEE C[C@@H]1CCCN(C(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)[C@@H]1CNC(=O)OC(C)(C)C 2281981972 QLTZTYQOVNVOPQ-NVXWUHKLSA-N 462.400 2.485 30 10 JEEE Cc1c(C(=O)N2C[C@H]3CN(Cc4ccccc4)C[C@@H]3C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281988021 GQOUWCSQPWGFKX-WOJBJXKFSA-N 450.392 2.232 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C[C@@]12CCOC2 2282009570 QBGOYSYIUTYLGK-JLCFBVMHSA-N 479.408 2.341 30 10 JEEE Cn1cc(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 2282042342 BYDLTAKVKKLCAK-ANQUJSFKSA-N 460.384 2.141 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C(=O)O)N(C(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)C1 2282199880 LWDJYTVRYBCMEN-UKRRQHHQSA-N 464.324 2.161 30 10 JEEE Cn1cc(C(=O)N[C@@]23CCCN(C(=O)OC(C)(C)C)C[C@H]2C3)nc1B1OC(C)(C)C(C)(C)O1 2282553568 YTTIQILNYTYSDW-IQMFZBJNSA-N 460.384 2.239 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2CN(C(=O)c3ncc(B4OC(C)(C)C(C)(C)O4)cn3)C[C@H]21 2282625170 RPIVKWNEGJLDOS-USXIJHARSA-N 458.368 2.151 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CCC(CNC(=O)C(F)(F)F)CC1 2282689662 LJEAVSQDTFLWGX-UHFFFAOYSA-N 457.302 2.338 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1[C@H](NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)C2 2282709670 FDIXWEWXOCASNA-UAGQMJEPSA-N 458.368 2.294 30 10 JEEE COc1ccc(NC(=O)[C@H]2C[C@@H](O)CN2C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2283951259 VCHMRORLDQXEJM-RDTXWAMCSA-N 462.352 2.303 30 10 JEEE CN(C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccccc1B1OC(C)(C)C(C)(C)O1 2284041053 NPRGNSZIXFUJMS-IBGZPJMESA-N 461.412 2.447 30 10 JEEE CC(C)(C)OC(=O)NC1(C(=O)N2Cc3cccc(B4OC(C)(C)C(C)(C)O4)c3C2)CC(O)C1 2284047049 COLCJTIBADHCNW-UHFFFAOYSA-N 458.364 2.246 30 10 JEEE Cn1nccc1C(=O)N1CCC([C@H]2CN(c3ccc(C#N)c(C(F)(F)F)c3)C[C@H]2C(N)=O)CC1 2297650900 VZKPLIMZCOYDFD-QZTJIDSGSA-N 474.487 2.401 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2334273935 OTARNRIBWDMCEW-HRCADAONSA-N 484.449 2.475 30 10 JEEE COc1nc(OCCOC2CN(C(=O)OC(C)(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2339825383 PFKKSPIXGVIESJ-UHFFFAOYSA-N 450.341 2.404 30 10 JEEE CC(C)(C)OC(=O)N1CC(OCCNC(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2F)C1 2362203255 ZFWKFOCUHKNQDO-UHFFFAOYSA-N 464.343 2.491 30 10 JEEE COc1[nH]c(=NCCCOC2CN(C(=O)OC(C)(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2365348196 NPMPALNIYIBPLX-UHFFFAOYSA-N 463.384 2.249 30 10 JEEE Cc1cc(CNC(=O)[C@H](NC(=O)OC(C)(C)C)C2COC2)cc(B2OC(C)(C)C(C)(C)O2)c1 2369681761 JMORAFSFPXNTBJ-LJQANCHMSA-N 460.380 2.450 30 10 JEEE C=CCN(CC(F)(F)F)C(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C 109251954 KYCWJFUWUSCFSE-UHFFFAOYSA-N 474.505 2.104 30 10 JEEE CCN(CC)c1ccc(N2C(=NC(=O)CCCC(=O)O)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 254819356 IPVLSJAUJHLJEC-DLBZAZTESA-N 453.586 2.389 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)NCC3CCN(S(=O)(=O)c4ccccc4)CC3)cc2C1=O 490061705 SFWIEIRHLYLMRQ-UHFFFAOYSA-N 467.547 2.299 30 10 JEEE CN(C)S(=O)(=O)c1ccc(C(=O)NC2CCC(OS(=O)(=O)c3cccs3)CC2)cc1 586509127 WVUBKPFGDXSXCQ-UHFFFAOYSA-N 472.610 2.445 30 10 JEEE CC1(C)OB(c2cccc3c2N(S(=O)(=O)CCCN2C(=O)c4ccccc4C2=O)CC3)OC1(C)C 712244883 RWABOZVPOWIEHN-UHFFFAOYSA-N 496.394 2.364 30 10 JEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CCSc1ccccc1 729670256 OJUHTMJFYANUPH-UHFFFAOYSA-N 487.610 2.155 30 10 JEEE C#CCN(C(=O)[C@@H](C)SCc1nc(O)c2c(C)c(C)sc2n1)[C@H]1CCS(=O)(=O)C1 918755949 IBQPONGQDMYZMQ-KGLIPLIRSA-N 453.611 2.284 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)OCC(=O)N2CCC[C@@H](C(F)(F)F)C2)ccc1F 919074794 HSVHNYIEOFCSNL-CYBMUJFWSA-N 452.426 2.248 30 10 JEEE COc1ccc(NC(=O)CSc2nnc(NN=Cc3ccc([N+](=O)[O-])cc3)n2N)cc1OC 1084236505 TXOSFIXGHHYLKC-UHFFFAOYSA-N 472.487 2.094 30 10 JEEE C=CCN(C(=O)c1cc(S(=O)(=O)N2CCCC[C@@H]2C)ccc1C)[C@H]1CCS(=O)(=O)C1 1125953246 CNCPMKGUBNIAQK-ROUUACIJSA-N 454.614 2.373 30 10 JEEE CNS(=O)(=O)c1cccc([C@@H](C)NS(=O)(=O)c2cc(Br)cc(C#N)c2)c1 1186507312 DMQJCZINVJYNMM-LLVKDONJSA-N 458.359 2.268 30 10 JEEE C#CCN(c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1286381278 FXBHSQDXIPFCQG-AEFFLSMTSA-N 489.667 2.236 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1286558323 NITBUMYGAZTADO-OFVILXPXSA-N 481.645 2.236 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CCCO2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1286677546 DSQZILAXEQSQFG-GOSISDBHSA-N 477.635 2.285 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C)c(Br)c2)nnc1N(C)C[C@H](C)C(=O)NC 1286783634 XJKBRRWAJVOSDY-AWEZNQCLSA-N 463.380 2.137 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCN(c2ncc(F)cn2)CC1 1286792058 LGVSTDSRYGAERE-UHFFFAOYSA-N 480.548 2.032 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2c(F)cccc2N2CCCC2)C1 1286801108 WEWLQBBZEDDVKA-QZTJIDSGSA-N 492.621 2.457 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2ccccc2F)n1CCOCC)[C@H]1CCS(=O)(=O)C1 1300485856 ZSFKBGOCDSQQAH-SJORKVTESA-N 450.536 2.220 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1C[C@@H]1CCOC[C@@H]1OC)[C@@H]1CCS(=O)(=O)C1 1300488053 AGRWQHSGPKEOIY-SXLOBPIMSA-N 479.002 2.277 30 10 JEEE COc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1CCCN1C[C@H](C)O[C@H](C)C1 1300658438 DVWMMJDEKIEWQX-ZCNNSNEGSA-N 470.574 2.094 30 10 JEEE C#CCN1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CCN(C)[C@@H](C)CC)CC1 1300685535 QCDWYSDFLPHUTG-IBGZPJMESA-N 486.690 2.032 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1cnn(CCOC)c1 1300789205 BTXQJEIMRLDXFJ-HSZRJFAPSA-N 468.583 2.232 30 10 JEEE C=C(Br)Cn1c([C@@H]2COc3ccccc3O2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1300848307 CYDZWSQFFQGLSR-CJNGLKHVSA-N 469.361 2.323 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1300884295 IYYZWHOWYOSNCB-FPOVZHCZSA-N 460.623 2.422 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(S(C)(=O)=O)cc1 1300916582 ZBJXOOJDMCFZGS-SFHVURJKSA-N 466.629 2.229 30 10 JEEE C=C(C)COCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1300993818 IDNYFGFCDUYJNR-UHFFFAOYSA-N 470.593 2.345 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1301482077 RZHUPEANFQAEIU-OPYAIIAOSA-N 482.585 2.081 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 1301506336 JBFCSRHUQJRAIF-UHFFFAOYSA-N 494.987 2.470 30 10 JEEE CC(C)OC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(C(N)=O)CCCC2)CCO1 1303530708 GWIUQTZPRGLGPQ-HXUWFJFHSA-N 452.559 2.493 30 10 JEEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1359052985 XEPDEPYVMJFJOU-FQEVSTJZSA-N 498.609 2.095 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccccc2F)nnc1N1CCC(OCC(N)=O)CC1 1359102115 WTYAJHHSDWAZOB-FDDCHVKYSA-N 457.550 2.460 30 10 JEEE C=C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCCN2CCC[C@H]2C(=O)N(C)C)CC1 1359169689 QWULZPQNNACJOJ-ACRUOGEOSA-N 460.623 2.101 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1359188309 LDQQQZQQHOLNOV-LJQANCHMSA-N 491.662 2.327 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCN(Cc2csc(C)n2)CC1 1359302830 VLLIBRAWTXBABJ-UHFFFAOYSA-N 481.626 2.267 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC([C@H]2CCOC2)CC1 1359304492 ZFCNHIKNCGSLTG-FQEVSTJZSA-N 450.543 2.284 30 10 JEEE CC(=O)NC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCCC[C@@H]2C)CCO1 1359451885 BIKDXFOYWFXISS-GBXCKJPGSA-N 495.628 2.335 30 10 JEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 1446343612 UZDZWFZIOQMXRP-PCCBWWKXSA-N 454.571 2.008 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CCNS(=O)(=O)CC 1507522714 FMVFLFDGZRPPEW-ZDUSSCGKSA-N 470.393 2.113 30 10 JEEE C#CCCCCn1c(-c2cccn2C)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1507558726 KOQXIOLZAASFBN-OFNKIYASSA-N 451.619 2.466 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](COCc2ccccc2)C1 1507588059 FGRODHWKIQFEDA-FCHUYYIVSA-N 487.626 2.068 30 10 JEEE C#CCN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCC1CC1)[C@H]1CCS(=O)(=O)C1 1507623900 YWGFNXRDYFPAEJ-IBGZPJMESA-N 476.002 2.288 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@]1(N(C)C)CCSC1 1507660976 JFDPQPNEXJGFQI-XMMPIXPASA-N 499.710 2.447 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCCO[C@H]2c2ccccc2)CC1 1507715897 JTLNXJJYIBLMGI-YADHBBJMSA-N 450.587 2.339 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2CC2(COC)CCOCC2)CC1 1507724414 OUCALNIINJVQAC-UHFFFAOYSA-N 453.587 2.076 30 10 JEEE C=C(Br)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1507790526 LWOMLWLPZHLOFF-DOTOQJQBSA-N 457.332 2.352 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1507844061 BKGCNYWLADUSMI-GOSISDBHSA-N 458.563 2.460 30 10 JEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccccc2CN2CCC(O)CC2)CC1 1507879009 CHCRJNYOQMQNHB-IBGZPJMESA-N 488.658 2.050 30 10 JEEE C=CCC(C)(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1507912649 RRHREFDQYZIQRH-GOSISDBHSA-N 487.630 2.012 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC3(CCOCC3)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1508096708 CCZXEXFOYIALLA-HDICACEKSA-N 474.606 2.358 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CC=CCO1)[C@H]1CCS(=O)(=O)C1 1539206650 TXFSVHYDVKHYIS-JKSUJKDBSA-N 480.388 2.008 30 10 JEEE C=C(C)Cn1c(COc2ccccc2CC)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1539717623 MIECGSTXAYIKSQ-UHFFFAOYSA-N 454.575 2.169 30 10 JEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccccc2OCCN(C)C)CC1 1539828088 DSSBBDSSHIWJQA-SFHVURJKSA-N 462.620 2.033 30 10 JEEE C=C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCN2CCCS2(=O)=O)CC1 1539835852 JSLLQLBMSHPBDH-UHFFFAOYSA-N 455.382 2.228 30 10 JEEE C=CCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1540027890 FNWFWWCGYBTVLW-OAQYLSRUSA-N 450.543 2.237 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2cccc(F)c2[C@@H]1C 1540903664 GQNSWLLOGRUTAQ-RDJZCZTQSA-N 482.603 2.044 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCC([C@@H]3CCCO3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1540908804 OEPDAXZWCMTFNB-NZQKXSOJSA-N 482.647 2.315 30 10 JEEE CCCC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCOC[C@@H]2C)C1 1546807992 BEQMKPPVNYUYFZ-UGKGYDQZSA-N 465.602 2.423 30 10 JEEE COCCN1C[C@H](Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N(C)[C@H](C)CC#N)CC1=O 1555571457 FDNWRAQMRVTJFM-RTBURBONSA-N 467.574 2.381 30 10 JEEE CS[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1555845217 HGBAEHFGZKPDJV-MSOLQXFVSA-N 483.642 2.269 30 10 JEEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 1587783470 QXRGIZVAGIXBSK-HXUWFJFHSA-N 476.647 2.035 30 10 JEEE C#CCN(c1nnc(CCOc2ccccc2)n1CC[C@@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1588069060 GLHXIWBOHOQPKX-IRLDBZIGSA-N 472.611 2.486 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(C)c(Br)c2)n1CC1(C(N)=O)CCOCC1 1588105166 NVLJHZFQHHRHFD-UHFFFAOYSA-N 470.371 2.371 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cccn(CC)c1=O 1588233137 BIGZWZHQVBDHAO-OAQYLSRUSA-N 494.596 2.279 30 10 JEEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ncccc1N(C)C 1588310155 RQUMDJGTWONPKY-UHFFFAOYSA-N 452.588 2.207 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1nnc(CC)s1 1588637407 FPKJZYUYVJBCRN-UHFFFAOYSA-N 450.528 2.142 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2ccc(OC)c(OC)c2Cl)CC1 1588733026 KMRXFRRXARMCIC-UHFFFAOYSA-N 487.004 2.183 30 10 JEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]2CCN(Cc3ccccc3)[C@H]21 1588983805 CDLKXMNVBOBLMY-DWLFOUALSA-N 488.683 2.313 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(C)(C)C)CC1 1589496761 ZMRJWTGVEKGPFJ-OTWHNJEPSA-N 468.668 2.180 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCCO2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1589529165 LPJGLLMPUCMNSO-AABGKKOBSA-N 467.636 2.267 30 10 JEEE C=CC1CCN(c2nnc(Cn3nc(C)cc3C)n2CCc2ccc(S(N)(=O)=O)cc2)CC1 1594431052 UDIOXARSWXCRIC-UHFFFAOYSA-N 469.615 2.432 30 10 JEEE C=CC[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1CCOC1)c1ccccc1 1594545189 RHZAQNJFZWCVHH-NJYVYQBISA-N 475.615 2.196 30 10 JEEE C=CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@@H](C)C(=O)NC 1594732423 CLRMRRKUVFIPIO-IAGOWNOFSA-N 450.584 2.371 30 10 JEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1C[C@H](OCC)C12CCC2 1594732781 IAMWYZXWUDZMLG-OTWHNJEPSA-N 467.636 2.361 30 10 JEEE C=CCN(CCOC)c1nnc(-c2cn(C)c3ccccc23)n1CCC(=O)N1CCOCC1 1595292364 WMYSCTVZDIOGJQ-UHFFFAOYSA-N 452.559 2.325 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1595595773 ZGAZICWILRVCAO-HNNXBMFYSA-N 470.471 2.371 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1C[C@H](C)N(C)C1CC1 1609508690 DYLDDBZSHZPRRX-LAUBAEHRSA-N 451.575 2.349 30 10 JEEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)cc1 1626767980 HQKWCTMWNURWCB-JOCHJYFZSA-N 454.571 2.153 30 10 JEEE C#CCNS(=O)(=O)c1cccc(C(=O)NCCc2cn(Cc3ccc(Cl)cc3)cn2)c1 1653876069 OQYFVXNSPXEVKI-UHFFFAOYSA-N 456.955 2.469 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)CC(=O)Nc2sc(C(=O)OC)c(C)c2C(=O)OC)c1 1657008809 MXMOWYOPBQSGSA-UHFFFAOYSA-N 457.508 2.120 30 10 JEEE CC(=O)OCCc1cccc(NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 1660569381 AXKCOQUECGCBFX-UHFFFAOYSA-N 456.524 2.202 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1Cc1cccnc1OCCOC)[C@@H]1CCS(=O)(=O)C1 1689986641 UKMAUISINWSWDU-OAQYLSRUSA-N 495.605 2.349 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H]1N(C)CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1689986780 WYLNGOOCFAIRLT-QUCCMNQESA-N 458.632 2.031 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1CCc1nccs1)[C@H]1CCS(=O)(=O)C1 1689997205 XQTIRJZOCWLWHL-INIZCTEOSA-N 475.571 2.322 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCCN1CCC(O)CC1 1690013617 WUFKRCLNQWUFDF-UHFFFAOYSA-N 487.608 2.156 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1nnc2n1CCC2 1690056434 SEKKORQIUNOVHC-HDICACEKSA-N 464.574 2.098 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCCN2C[C@@H](C)C[C@H](C)C2)CC1 1690113430 JOOGWSGNJFKSOM-FXSPECFOSA-N 472.678 2.442 30 10 JEEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1690132626 UKESUDQONSVJHB-JOCHJYFZSA-N 450.587 2.179 30 10 JEEE C#CCSCCn1c(-c2ccccc2OC)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1690167431 IFNVLLHCMGELBP-UHFFFAOYSA-N 463.629 2.180 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCS(C)(=O)=O 1690203116 RHUTVWLWZVFHPM-HSZRJFAPSA-N 468.583 2.102 30 10 JEEE C=C(C)COCCn1c(N2CCN(C3CCOCC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1690320170 MAURJDGIODAMII-DEOSSOPVSA-N 463.623 2.212 30 10 JEEE C=CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1690639492 SLRWXPIAWORJOM-UHFFFAOYSA-N 460.608 2.054 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N(CC)Cc1ccc(C(=O)N(C)C)cc1 1690670743 IDNNETZKTXOUCR-HXUWFJFHSA-N 454.575 2.203 30 10 JEEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1705520360 RLEZULUAFYZUJK-GOSISDBHSA-N 490.655 2.077 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1CCN(C)CCCC)[C@@H]1CCS(=O)(=O)C1 1705562724 IICMGDWKAARZTQ-HXUWFJFHSA-N 487.626 2.075 30 10 JEEE C#CCN(c1nnc(CCOc2ccccc2)n1C[C@@H]1CCC[C@H]1OC)[C@@H]1CCS(=O)(=O)C1 1705568269 KANLIKXECVZDPB-TUNNFDKTSA-N 472.611 2.341 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccc(OC)cc2)nnc1N(C)CC(=O)N1CCOCC1 1705709044 KFUJSMORJGDDQA-NTKDMRAZSA-N 485.585 2.142 30 10 JEEE C=C(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1705720168 ATFQIRQNVMXZBR-UHFFFAOYSA-N 455.563 2.314 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2cc(C)ccc2C)CC1 1705725614 LEODSLWBSALCJC-OAQYLSRUSA-N 474.631 2.131 30 10 JEEE C=CCCOCCn1c(CC)nnc1N1C[C@H](NC(=O)OC(C)(C)C)C2(CCS(=O)(=O)CC2)C1 1705831238 LEGJNJJHXGQRSS-SFHVURJKSA-N 497.662 2.342 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1CC(=O)N1CCN(c2ccccc2)CC1 1705884833 YTIGYGGLQPUYBP-OAQYLSRUSA-N 468.602 2.160 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1705905401 UOORTHYOTLGGCM-HXUWFJFHSA-N 453.522 2.105 30 10 JEEE C=CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1705942310 OLOWCOIWGIXMIY-KRWDZBQOSA-N 484.669 2.281 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccnc(OCC(F)(F)F)c1 1706746687 DGBJGCMEQKGEHD-DZGCQCFKSA-N 472.493 2.303 30 10 JEEE CC[C@H](C)[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1708356554 AMRKFTZTTRIEOD-BPXKWBHBSA-N 461.588 2.149 30 10 JEEE CNS(=O)(=O)CCn1c(-c2ccc(Br)cc2Cl)nnc1N1CC[C@@](F)(C#N)C1 1711417768 CJMNAJGUEOCQTM-MRXNPFEDSA-N 491.774 2.352 30 10 JEEE C#CCN(c1nnc(COc2ccccc2OCC)n1[C@@H]1C[C@H]1CF)[C@H]1CCS(=O)(=O)C1 1722370297 NBXUSIIQWZUESP-OKZBNKHCSA-N 462.547 2.413 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2C[C@H](CC(C)C)NC(=O)OCC)CC1 1722438758 ASCBMOBXHUGKGE-NRFANRHFSA-N 453.591 2.180 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2CCCOC[C@@H]2CCOC2)CC1 1722445448 QKKJSMLEUOGGKZ-FQEVSTJZSA-N 451.571 2.354 30 10 JEEE C#CCSCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1722460654 JKGSFPACMQGSQM-UHFFFAOYSA-N 489.045 2.463 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccs2)CC1 1722483823 DCKDVGDPXFBUCY-CQSZACIVSA-N 472.434 2.477 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(C)=O)C[C@@H]1C)C(C)C 1722664485 AMQWMCTWBAIBKI-SIKLNZKXSA-N 454.623 2.434 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC2(CCCC2)C1 1722693330 KIOUAZKATMFYSK-UHFFFAOYSA-N 472.615 2.268 30 10 JEEE CNS(=O)(=O)CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@](F)(C#N)C1 1729745737 DTXKYYCNDHBCFA-OAQYLSRUSA-N 464.567 2.146 30 10 JEEE CSCc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C#N)CC2)cc1 1731085129 BBJNYBIEWNYBOT-FQEVSTJZSA-N 490.655 2.262 30 10 JEEE C#CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C2CC2)C(=O)C1 1740576290 ZZBCYKRDZUKBGB-LJQANCHMSA-N 472.590 2.201 30 10 JEEE C#CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1740582753 QGZHRCGLFWVJHP-UHFFFAOYSA-N 460.498 2.087 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1C[C@@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1740628854 VLKCHYUNQWYHTE-UXHICEINSA-N 459.616 2.051 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1740671732 NGQZRGOXCULVAH-YESZJQIVSA-N 477.553 2.439 30 10 JEEE C#CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1740715589 CJRFCIKIVMPPDV-HZPDHXFCSA-N 454.556 2.200 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCN(C(C)=O)CC1 1740955367 SGEZYJRZEMQSIV-UHFFFAOYSA-N 454.575 2.341 30 10 JEEE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3ccccc3C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1741016563 IPBOCHJLYNDBNZ-DRGFOCDESA-N 477.569 2.085 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3sc(N4CCOCC4)nc3C)n2CCOC)c1 1748691884 NRAMESOKXMCUHX-UHFFFAOYSA-N 495.609 2.249 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(OCc2ccccc2)CC1 1748751438 HNVYKDZBFQSZQL-JOCHJYFZSA-N 487.626 2.210 30 10 JEEE C#CCN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1748773650 AONUUQBWDXAMGI-JOCHJYFZSA-N 460.586 2.347 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCCn1cccn1)[C@H]1CCS(=O)(=O)C1 1748804385 HBFKLXAZLRIUPW-QUCCMNQESA-N 486.573 2.471 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@H]1CCN(CCC)C1)[C@@H]1CCS(=O)(=O)C1 1748809373 LXJMYCWVXLBXEU-PZJWPPBQSA-N 471.627 2.312 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCC1(O)CCOCC1 1748906675 IPSIMGYJASHLFA-BGYRXZFFSA-N 471.602 2.443 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2cc(F)ccc2F)CC1 1748994660 LZIKARQSHZJZFX-UHFFFAOYSA-N 456.522 2.351 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2CC2(NC(=O)OC(C)(C)C)COC2)CC1 1748999329 PZNGSVRLJNXNEN-UHFFFAOYSA-N 496.612 2.214 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2CC(F)(F)C2(OC)CCOCC2)CC1 1749005501 WXJBMRWSXYVSRL-UHFFFAOYSA-N 453.534 2.198 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCCCNC(=O)OC(C)(C)C)CC1 1749008808 BRPUDVZSJVGDHD-HXUWFJFHSA-N 488.633 2.443 30 10 JEEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCN([C@H](C)c2nc(CC)no2)CC1 1749044224 PRYCJAMXERRWJW-GOSISDBHSA-N 466.615 2.459 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)CCC(=O)NC 1749118857 KGADJRJYKLDOCI-XLIONFOSSA-N 474.993 2.415 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cnc(C(C)C)nc1 1749119543 UBVKFHCFHHVSRK-NEWSRXKRSA-N 477.635 2.419 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)CC 1749552864 CBPRFBCXIKBLKL-PXNSSMCTSA-N 469.633 2.026 30 10 JEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(OCCc2ccccc2)CC1 1749630723 ZZXSWNPRUWTLOU-NRFANRHFSA-N 475.615 2.025 30 10 JEEE Cc1nnc(CCn2c(C(=O)NC(C)C)nnc2N2CCN(c3cccc(F)c3C#N)CC2)s1 1751866329 CIFBVMICOMPYMQ-UHFFFAOYSA-N 483.577 2.156 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C(C)C)N2CCCC2)c1 1760128521 KROGFTWMLFBHMD-FCHUYYIVSA-N 477.613 2.406 30 10 JEEE C#CCCCn1c(CCc2ccccc2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1760156810 UNQBXYJKKQOEDI-UHFFFAOYSA-N 481.626 2.030 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1ccccc1COC)[C@@H]1CCS(=O)(=O)C1 1760189300 UAYATXKGRPGESX-NHCUHLMSSA-N 458.584 2.341 30 10 JEEE C#CCN(CC)c1nnc(-c2ccc(OC)c(Br)c2)n1CCC(=O)N1CCOCC1 1760229879 IQUUKTNUEQBFCU-UHFFFAOYSA-N 476.375 2.425 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2cccn(CC)c2=O)CC1 1760264046 ZOYIUDOPOSRTLQ-OYRHEFFESA-N 495.628 2.034 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCN2CC=CCC2)CC1 1760273337 PNGWRDJFIRPBBB-FGZHOGPDSA-N 468.646 2.424 30 10 JEEE C=C(Br)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(S(C)(=O)=O)CC1 1760308720 PQXUAIMXVOKLTH-UHFFFAOYSA-N 476.347 2.137 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(OC)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1760326471 WMJISXXBAKGXBS-SVMVAKDDSA-N 476.599 2.470 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCOCC(F)(F)C(F)F)CC1 1760402788 USEPNUQJDOXOKZ-CQSZACIVSA-N 454.490 2.500 30 10 JEEE C=CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1760569323 LCLIFWLQTMCHKO-UHFFFAOYSA-N 463.567 2.304 30 10 JEEE Cc1csc(N2CCN(c3nnc(-c4cccc(C#N)c4)n3CC(=O)NC(C)C)CC2)n1 1762238955 DOUJDKHUAFFUSB-UHFFFAOYSA-N 450.572 2.433 30 10 JEEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCC[C@@H]2C)CC1 1771149423 DEGREBVOLGFPLX-CYFREDJKSA-N 454.575 2.048 30 10 JEEE C=CCn1cc(OCC(=O)Nc2ccc(C(C)=O)cc2)c(=O)cc1CN1CCN(CC)CC1 1870400390 GSLWMJFDPQRTIE-UHFFFAOYSA-N 452.555 2.392 30 10 JEEE CCCCCCCCn1cc(OCC(=O)NC)c(=O)cc1CN1CCN(c2ncccn2)CC1 1870568860 JBKRIAWJECAYSH-UHFFFAOYSA-N 470.618 2.446 30 10 JEEE C#CCOc1cn(CCCN(CC)CC)c(CNc2ccc3c(c2)C(=O)N(C)C3=O)cc1=O 1871006255 XDYNTESOMGLAGC-UHFFFAOYSA-N 450.539 2.430 30 10 JEEE COc1cc(/C=N/Nc2cnn([C@@H]3CCS(=O)(=O)C3)c(=O)c2Cl)cc(Cl)c1OC 1873529633 VOPIDRDYGXDZOP-MFSHBQKOSA-N 461.327 2.373 30 10 JEEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)N1CCN(CCO)CC1)n2Cc1ccco1 1873564646 ZOOGYMSQHXKKLP-UHFFFAOYSA-N 450.543 2.001 30 10 JEEE C=CCn1c(C(=O)N2CCN(C)CC2)cc2c(NC[C@@H](c3ccc(O)cc3)N(C)C)ncnc21 1875231169 CDWFYFYQZXORIQ-QFIPXVFZSA-N 463.586 2.425 30 10 JEEE Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CCC(=O)N1CCC(Oc2ncccc2C#N)CC1 1891350400 GAGUZSWUOJQISE-LJQANCHMSA-N 471.583 2.129 30 10 JEEE COc1ccc(OC)c(-c2ccc(=O)n(CC(=O)N3CCN(c4ccc(C#N)cc4)CC3)n2)c1 1892336843 MJYQLCROTGJSKA-UHFFFAOYSA-N 459.506 2.148 30 10 JEEE CC(C)(C)OC(=O)N1Cc2nncn2C[C@@H]1C(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1 2180981587 AMPFIZLEXVDDMM-MRXNPFEDSA-N 459.356 2.188 30 10 JEEE CC(C)(C)OC(=O)N1Cc2nncn2C[C@H]1C(=O)N1CCC[C@H](B2OC(C)(C)C(C)(C)O2)C1 2180982502 HECXFNIOBBVFLP-HOTGVXAUSA-N 461.372 2.482 30 10 JEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](C)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 2222528713 FIVFJEIJZIWFTH-HKARXFIJSA-N 453.580 2.417 30 10 JEEE C[C@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)C1(O)CN(C(=O)OC(C)(C)C)C1 2255611280 SOJOKPUGHKBNAR-ZDUSSCGKSA-N 452.382 2.147 30 10 JEEE C[C@@H](CNS(=O)(=O)Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1)NC(=O)OC(C)(C)C 2255793955 FLJCQVWWNPURAW-HNNXBMFYSA-N 454.398 2.318 30 10 JEEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)[C@H](CCO)NC(=O)OC(C)(C)C 2256675316 FNWVIBMLXRYHPS-HNNXBMFYSA-N 454.398 2.281 30 10 JEEE C=C(CS(=O)(=O)N1CCC(O)(CCNC(=O)OC(C)(C)C)CC1)B1OC(C)(C)C(C)(C)O1 2267472426 PWQYZHJCUUIWDD-UHFFFAOYSA-N 474.429 2.246 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](CNC(=O)c2csc(B3OC(C)(C)C(C)(C)O3)c2)C[C@@H]1O 2267562067 XTLCWRMFAFJREK-IMJJTQAJSA-N 466.409 2.441 30 10 JEEE Cc1cc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2O)sc1B1OC(C)(C)C(C)(C)O1 2267602793 RSIPGXXCRGQKGU-CABCVRRESA-N 466.409 2.456 30 10 JEEE CC(C)(C)OC(=O)NCC1(CNS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)CC1 2267709175 XMZGCVTTYKOYMI-UHFFFAOYSA-N 487.453 2.167 30 10 JEEE CC(C)(C)OC(=O)N1CC=C[C@@H](NS(=O)(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2267721297 PAJFMCYCLPJCRY-MRXNPFEDSA-N 464.393 2.440 30 10 JEEE COc1ccc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)O)c(B2OC(C)(C)C(C)(C)O2)c1 2268653334 ZVUOEXWJRYHDDK-DYVFJYSZSA-N 450.341 2.207 30 10 JEEE Cc1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@@H](O)CNC(=O)OC(C)(C)C 2270436083 DGMMLPTUURQOCY-CQSZACIVSA-N 452.332 2.049 30 10 JEEE CCc1nn(C)c(C(=O)NC2CC(CNC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2281981359 YNSFILAQUCSNJC-UHFFFAOYSA-N 462.400 2.315 30 10 JEEE Cn1nc(C(=O)NCC2(F)CC(CNC(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2281982633 VQWVMZKLTAWWET-UHFFFAOYSA-N 466.363 2.092 30 10 JEEE CCn1cc(C(=O)N2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)nc1B1OC(C)(C)C(C)(C)O1 2282528597 UUCJVTHYCUBOAZ-NVXWUHKLSA-N 460.384 2.284 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]3C[C@@H]23)n1 2282592950 KFQWLBPPUHFOJZ-USXIJHARSA-N 460.384 2.330 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(O)cc2O)C1 2282992001 NMGAXBVQXFWHHL-AWEZNQCLSA-N 462.352 2.384 30 10 JEEE CN(C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)[C@H]1CN(C(=O)OC(C)(C)C)CC12CC2 2287015047 CNUWLKLJGAXQMO-INIZCTEOSA-N 460.384 2.191 30 10 JEEE CCOC(=O)N1CCN(c2c(C=C3SC(=S)N(C(C)C)C3=O)c(C)c(C#N)c(=O)n2C)CC1 2296203237 FHXRPIPOCABKFT-UHFFFAOYSA-N 489.623 2.454 30 10 JEEE COc1ccc(OC)c([C@H]2C(=C(O)c3ccco3)C(=O)C(=O)N2CCCN2CCOCC2)c1 2296936394 PZYOVKDFKDVGPU-NRFANRHFSA-N 456.495 2.441 30 10 JEEE CC(C)(C)OC(=O)N[C@@]1([C@H](O)C#CC(C)(C)S(C)(=O)=O)CCN(Cc2ccccc2)C1 2301487078 MXXMCOKMTKKLGP-XXBNENTESA-N 450.601 2.343 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](CO)C1 2310243887 PXUAJDROLLXAMS-BBWFWOEESA-N 454.568 2.308 30 10 JEEE COc1cc(C=Nn2c(SCCO)nnc2[C@@H]2CC(=O)N(C(C)(C)C)C2)cc(OC)c1O 2327904313 IQPKHXSFWPYFCY-CQSZACIVSA-N 463.560 2.082 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(OCCS(=O)(=O)CCNC(=O)OC(C)(C)C)n1 2337041838 KQOOJPYODZZYTO-UHFFFAOYSA-N 470.397 2.008 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCCC23CN(C(=O)OC(C)(C)C)C3)n1C 2362330929 DLLVUQHDAUJJOQ-UHFFFAOYSA-N 460.384 2.253 30 10 JEEE CC(C)(C)OC(=O)N1CC(c2nc(NC(=O)c3cnsc3B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2362500837 LKFIDHVAIZXACW-UHFFFAOYSA-N 476.368 2.147 30 10 JEEE CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)CCN1C(=O)c2ccc(Br)cc2C1=O 11075475 JOLDXCJQNFRDHN-YUNKPMOVSA-N 464.316 2.421 30 10 JEEE CC1(C)CC(NC(=O)CSc2n[nH]c(N/N=C/c3cc([N+](=O)[O-])ccc3O)n2)CC(C)(C)N1 20832517 VFEUDRLQYJOUPR-UFFVCSGVSA-N 476.563 2.382 30 10 JEEE N#C[C@@H]1C(=O)Nc2nc(N3CCC4(CC3)OCCO4)[nH]c(=O)c2[C@@H]1c1cccc2ccccc12 72444433 BXCXTLHAZRQDGP-RBUKOAKNSA-N 457.490 2.490 30 10 JEEE O=C(NCC#CCOc1ccc2c(c1)OCO2)c1ccc(S(=O)(=O)N2CCCCC2)cc1 90730812 FRWVTLGRKKMJOR-UHFFFAOYSA-N 456.520 2.402 30 10 JEEE COc1ccc(C(=O)CSc2nnc(NN=Cc3ccc([N+](=O)[O-])cc3)n2N)cc1OC 1083941342 ZXDNWULBFOFXPB-UHFFFAOYSA-N 457.472 2.338 30 10 JEEE C=CCOC[C@H](NC(=O)c1ccc2c(c1)C(=O)N(c1ccc(OCC)cc1)C2=O)C(=O)OC 1139176087 RTKPQXYABDGQQM-FQEVSTJZSA-N 452.463 2.360 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H](Cc1ccccc1)OC)[C@@H]1CCS(=O)(=O)C1 1286387690 UDACRYVIXUIYIW-RTWAWAEBSA-N 465.579 2.225 30 10 JEEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(C)(C)C(=O)NCC 1286437842 RUNVUAAHOWVKNB-UHFFFAOYSA-N 459.620 2.168 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCC2(COC)CCCC2)CC1 1286646062 MGMUXXRXWDWPLM-IBGZPJMESA-N 467.636 2.364 30 10 JEEE C=CCN(CCc1ccco1)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(=O)N(C)C 1286763833 VSOUXTLERALUNG-UHFFFAOYSA-N 485.614 2.463 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CC(=O)N(C)[C@@H](C)C1 1286782394 STKKSXHRTMJYKQ-LBPRGKRZSA-N 481.782 2.330 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC(C(=O)c2ccc(O)cc2)CC1 1286788805 GSKQNFRYKMSZJX-UHFFFAOYSA-N 460.538 2.371 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1286792198 QNNBVVZSCIZDLC-SFHVURJKSA-N 495.584 2.477 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccc(N3CCOCC3)c2)C1 1286799349 VCBXZOVTPLGCNO-NRFANRHFSA-N 454.575 2.083 30 10 JEEE CO[C@]1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(C(=O)C(C)(C)C)CC2)CCOC1 1299799937 GJUCFHWCULKADR-DEOSSOPVSA-N 452.559 2.317 30 10 JEEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1300345143 PWLSOEVXLKJHBS-MRXNPFEDSA-N 452.602 2.021 30 10 JEEE C#CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1(C)CC1)[C@@H]1CCS(=O)(=O)C1 1300506152 NQGUJXWWWBMUIB-FGTMMUONSA-N 477.631 2.476 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC[S@@](=O)C(C)(C)C 1300538847 VNYOLQWQCKJIRF-RTHCMUBDSA-N 477.631 2.207 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H]1CCCN1c1cnn(C)c1 1300559760 ZHPVYROPKXVIPX-PXDATVDWSA-N 465.602 2.184 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCc1nc2c(s1)CCCC2 1300671082 BNQDXWGESLOCLR-QGZVFWFLSA-N 477.656 2.234 30 10 JEEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2cc(Cl)ccc2OC(F)F)CC1 1300705590 AOHWLDJNLBWADU-UHFFFAOYSA-N 478.931 2.459 30 10 JEEE C#CCSCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCC(C(N)=O)CC1 1300756965 XTJUXFHUUAAVHW-UHFFFAOYSA-N 479.610 2.133 30 10 JEEE C=C(C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1300936915 SIAPZNHHPHIKRQ-UHFFFAOYSA-N 478.601 2.285 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1301492687 NBHIKNHJCCTJGP-UHFFFAOYSA-N 498.584 2.323 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(CC(=O)Nc2c(C)cccc2C)CC1 1301584477 AZOWGCCAKSTBHG-UHFFFAOYSA-N 486.642 2.134 30 10 JEEE COc1cc(OC)cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCOc2ncccc2F)c1 1315353660 DFGXMMVLKXZDRG-SFHVURJKSA-N 454.462 2.304 30 10 JEEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCOCC2(C)C)C[C@H]1C 1316125277 IBMJCMUCZXTLCO-HXUWFJFHSA-N 467.618 2.084 30 10 JEEE CS(=O)(=O)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H]1[C@H]1CCCO1 1316344868 FNYMLBMSECVYHB-WOJBJXKFSA-N 459.572 2.311 30 10 JEEE N#Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CCN(CC(F)(F)F)C2)cc1 1316533007 DTBBVOUTYCTBGU-IEBWSBKVSA-N 475.475 2.342 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(Cl)s1 1358889609 DXKZHFUJFSCZGP-HIFRSBDPSA-N 458.009 2.027 30 10 JEEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1358896670 JNUAESJLERXEQH-DOTOQJQBSA-N 468.558 2.211 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)CCc1cccs1 1358930365 UDPVREKKUSFWAB-GOSISDBHSA-N 451.618 2.155 30 10 JEEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1358930369 UFSQLVAOUQSUMS-JXQFQVJHSA-N 475.590 2.384 30 10 JEEE C#CCN(c1nnc(CSc2ccccc2OC)n1C[C@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1358967406 JUOQXSOGQXOMSM-HTAPYJJXSA-N 478.640 2.367 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1358974505 HZWCWCUGCVRTOM-OAQYLSRUSA-N 451.538 2.390 30 10 JEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccccc1N1CCOCC1 1358982453 XSWLNSNIWBTPAN-UHFFFAOYSA-N 474.590 2.227 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(C)CCOCC1 1359025395 MNMUCFWOWQMBLD-IBGZPJMESA-N 477.606 2.489 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Br)c3)n2CC2(O)CC2)CC1 1359042082 QQHHGUSWSXTVOB-UHFFFAOYSA-N 458.360 2.198 30 10 JEEE C=CCCOCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1359225962 RKJKMXDZSUTHRE-INIZCTEOSA-N 467.530 2.464 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1359291923 DWGPNWWNUYJRSY-NQIIRXRSSA-N 483.548 2.270 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2C[C@H](C)O[C@@]3(CCOC3)C2)cc1 1359306981 XDSVEKLPAKROPT-UUOWRZLLSA-N 455.559 2.414 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(F)ccc2Br)nnc1N1C[C@@H]2OCO[C@@H]2C1 1359327924 ODJUOHVLXBNEQD-IYBDPMFKSA-N 487.351 2.009 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CC[C@](O)(c2ccc(C)cc2)C1 1359330579 WZETYEGQGIEILV-HSZRJFAPSA-N 453.568 2.347 30 10 JEEE C=CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1359344087 LLZWQVWYAXUDLV-UHFFFAOYSA-N 486.617 2.198 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1ccc(N(C)C)nc1 1360473853 BDKMGLFEXHPPQI-INIZCTEOSA-N 457.542 2.440 30 10 JEEE C#CCNC(=O)CN1CCCN(C(=O)C[C@H]2c3ccccc3CN2C(=O)OC(C)(C)C)CC1 1443359767 ZDVIGNWKXXSVLI-NRFANRHFSA-N 454.571 2.152 30 10 JEEE C#CCn1cc(CNC(=O)c2ccc(Br)c(S(=O)(=O)NC(C)(C)C)c2)cn1 1448878727 RGLUHTFZUFOSSV-UHFFFAOYSA-N 453.362 2.286 30 10 JEEE CC[C@@H](C)[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1494868554 AJCCDGLSBUIUGD-VGSWGCGISA-N 460.604 2.086 30 10 JEEE CC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCc2cnn(C)n2)C[C@@H](C)O1 1499780785 CXKZMGCRKHBVTH-XLIONFOSSA-N 450.547 2.494 30 10 JEEE COC[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1504569238 AWJCUQZQMPGMAQ-UGKGYDQZSA-N 465.558 2.422 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CCC3)n2C[C@H]2CC(=O)N(CCOC)C2)c1 1507550995 TUUBKUJYBWHXGA-IBGZPJMESA-N 464.570 2.097 30 10 JEEE C#CCN(c1nnc(C2CCCC2)n1CCCN(C)CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1507631686 GCDCRQYZUVMIHJ-QGZVFWFLSA-N 461.554 2.447 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C)[C@H]1CCS(=O)(=O)C1 1507632110 XAOKWLITBOBXNK-HKUYNNGSSA-N 490.630 2.449 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1CC1CCN(C(C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1507634831 QATROFYGBWDRLP-HSZRJFAPSA-N 483.638 2.063 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CC1(CN2CCOCC2)CCCCC1 1507636332 CNXSKBVOUAEYTQ-UHFFFAOYSA-N 475.597 2.281 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1CC1(C(=O)NCC)CCC1 1507703853 HBXAMVQVUVGBHX-UHFFFAOYSA-N 477.407 2.439 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1CC(=O)NCc1ccco1 1507704232 UIYKECGRROVVPX-UHFFFAOYSA-N 475.347 2.042 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC2([S@](C)=O)CCC2)CC1 1507741320 PTDMLPPWVOISKQ-FRKOPMCESA-N 489.686 2.464 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](Cc2ccccc2)C1 1507804817 KUBQPOMNNXBJMR-FKVLARQCSA-N 489.642 2.317 30 10 JEEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 1507835568 FRDWDSJRCMHBBC-SXLOBPIMSA-N 467.636 2.409 30 10 JEEE C=CCC(C)(C)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(S(C)(=O)=O)CC1 1507911615 NIWOSDHAHAKQDR-UHFFFAOYSA-N 461.588 2.400 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1508073577 KPAKHAPBEOIEJQ-QAPCUYQASA-N 487.992 2.414 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@@H](CC)C1 1508139847 KDUJUSJWWGPMDU-QGZVFWFLSA-N 470.599 2.419 30 10 JEEE C=CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1508157028 AZPZRKMGKZUGDD-MRXNPFEDSA-N 450.586 2.259 30 10 JEEE COCC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCO[C@@H](C)C2)CC1 1518656902 DIDFTHIJKBBXIL-PKOBYXMFSA-N 452.559 2.363 30 10 JEEE CS(=O)(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2ccccn2)C1 1519507946 FHKKHZITPRAQLE-OAQYLSRUSA-N 466.567 2.380 30 10 JEEE C#CCCCCn1c(-c2noc3c2COCC3)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1539067435 GKAGYAAUNPSZQM-QZTJIDSGSA-N 470.574 2.177 30 10 JEEE C#CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1539097145 DLUXOGZESJRAAF-OAQYLSRUSA-N 453.543 2.203 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H](C)N(C)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1539216246 PTPXWICGDFPCGD-PZJWPPBQSA-N 466.611 2.420 30 10 JEEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1[C@@H]1CCC[C@H](C(F)(F)F)C1)[C@H]1CCS(=O)(=O)C1 1539216249 PUQXRUHJJYCZMK-FZKCQIBNSA-N 473.521 2.150 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1CCN(C(C)=O)CC1 1539395810 JFQDGQQVVSRDLQ-UHFFFAOYSA-N 487.004 2.206 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1539517568 POVHXVSQBSOPCT-QZTJIDSGSA-N 497.687 2.240 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 1539613160 WGZMBLAOXJQVMT-CDMIOBSGSA-N 485.585 2.468 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1539615822 MGWAOHNNQOIIST-NMLBUPMWSA-N 477.635 2.216 30 10 JEEE C=C(Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC(=O)NC)CC1)c1ccccc1 1539766965 HBZWQWJCYLJCSH-FQEVSTJZSA-N 457.600 2.246 30 10 JEEE C=CCCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 1539998003 YQBJTZQOZIOOQY-PZJWPPBQSA-N 454.623 2.462 30 10 JEEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(S(=O)(=O)c2ccccc2)CC1 1540033785 PFKCZSXRFDQSCM-HXUWFJFHSA-N 473.599 2.265 30 10 JEEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1540036076 KIMWODFIUUOBHS-DNVJHFABSA-N 488.677 2.391 30 10 JEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(Nc2cccc(C)c2)CC1 1540858408 VUPHJXZAEOSVIP-FQEVSTJZSA-N 460.604 2.186 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccn3)n2Cc2cccc(S(=O)(=O)NC)c2)C1 1540894306 UVJJXXNRTPZRCJ-FQEVSTJZSA-N 468.583 2.002 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1540897891 VBMMWBTVTCCRDZ-ZIAGYGMSSA-N 472.493 2.161 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CC[C@H](OCc2ccccc2)C1 1540901975 WLNXSWDLHJJAEM-IBGZPJMESA-N 454.556 2.131 30 10 JEEE C=CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C(=O)C(C)C)CC1 1540911399 RUZFFLABXYOVCO-UHFFFAOYSA-N 467.603 2.145 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1587604757 YPOGCEOZCYJLLM-AZUAARDMSA-N 466.586 2.117 30 10 JEEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(S(C)(=O)=O)CC1 1587862666 ZCIJOEDRRKYHHD-GOSISDBHSA-N 481.619 2.013 30 10 JEEE C#CCN(c1nnc(C(C)C)n1C[C@H]1CN(Cc2ccccc2)CCCO1)[C@H]1CCS(=O)(=O)C1 1588030088 PILFUZHPPCXNAW-XZOQPEGZSA-N 485.654 2.319 30 10 JEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@](C)(O)c1cc(C)oc1C 1588124417 KZVBDDQWNYTLDE-XMMPIXPASA-N 480.594 2.429 30 10 JEEE C=C(C)COCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(C(=O)OCC)CC1 1593735256 AODRNJXECMGCPC-UHFFFAOYSA-N 481.557 2.063 30 10 JEEE C=CC[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(C)=O)CC1)c1ccccc1 1594544148 HEXSOKLAQVHFEL-LEWJYISDSA-N 457.600 2.209 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCOC2(CCOCC2)C1 1595475732 FEQXZIVBRXEFIG-QGZVFWFLSA-N 459.522 2.245 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](c2cccs2)N2CCOCC2)C1 1595664353 BXGJFFCJXMUKDV-MOPGFXCFSA-N 474.631 2.333 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1595760431 MQODJZHNCLAHSA-NJDAHSKKSA-N 494.706 2.019 30 10 JEEE C=CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1595851210 YYFJMHIALNNKQA-UHFFFAOYSA-N 472.615 2.447 30 10 JEEE COc1cccc([C@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)[C@@H](C)CC#N)N(C)C)c1 1619333723 GCNYWNHTKCJQHJ-QRFRQXIXSA-N 460.604 2.230 30 10 JEEE N#Cc1cc(F)c(S(=O)(=O)NCc2ccc(N3CCNC3=O)cc2)cc1Br 1622499936 DRZMXGXXKRLJMS-UHFFFAOYSA-N 453.293 2.468 30 10 JEEE C=CCc1cc(CNC(=O)N2CCN(c3nccn4cnnc34)[C@H](C)C2)cc(OC)c1OC 1630469240 PKVGNZFBHYYRGH-MRXNPFEDSA-N 451.531 2.290 30 10 JEEE C#CC[C@]1(C(=O)NC2CN(c3ccc(C(=O)OCC)cn3)C2)CCCN1C(=O)OC(C)(C)C 1633852865 QPFFBLUYOZCSLO-XMMPIXPASA-N 456.543 2.356 30 10 JEEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N[C@H]2C[C@H](O)[C@H](O)C2)ccc1Cl 1635241556 ICUUNULDJDNMRI-OHFIKTQHSA-N 450.944 2.335 30 10 JEEE C#CC1(O)CCN(CC(=O)Nc2cc(S(=O)(=O)N3CCCCCC3)ccc2Cl)CC1 1654346065 PNTBWJHQPBLBMV-UHFFFAOYSA-N 453.992 2.303 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](C)CN1CCOCC1 1689852854 LRYZBKWDXDCXFG-HSALFYBXSA-N 476.622 2.013 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1C[C@@H]1NC(=O)CC1(C)C)[C@H]1CCS(=O)(=O)C1 1689984139 LSLJNGIMGXHJRW-ROUUACIJSA-N 476.002 2.140 30 10 JEEE C#CCN(c1nnc(COCC)n1C[C@@H](OC)c1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 1689995790 ACUIBNJZDNUVNE-RBUKOAKNSA-N 466.991 2.482 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1cccc(F)c1)N(C)C 1690047402 QBTCQALJVJUIDP-FPOVZHCZSA-N 457.575 2.085 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](c1c(F)cccc1F)N(C)C 1690189772 BLCLDNOUJHABJD-QXATTWAWSA-N 480.585 2.462 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cccc(COC)c2)CC1 1690410908 ATIDXMMJNTUPLJ-OAQYLSRUSA-N 475.615 2.208 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1cnn(C)c1 1690432634 HZXAVFAYKCBOTD-RBUKOAKNSA-N 477.635 2.288 30 10 JEEE C=CCN(CCOC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@]1(O)CCO[C@H]1C 1690620025 MQWFTUDMOVRQII-BVZFJXPGSA-N 482.585 2.415 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCN(CCOC)[C@H](C)C1 1690662193 UFPBNRUMGKWXGU-OAHLLOKOSA-N 495.397 2.306 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1690665469 FKVVDYFYSRYDGC-MRXNPFEDSA-N 487.486 2.300 30 10 JEEE COCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](c2nccs2)C1 1698028496 GGOKJKXNWVXOQY-LJQANCHMSA-N 453.572 2.429 30 10 JEEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1705509050 BVEKRNNWZLLTRI-UYAOXDASSA-N 475.615 2.239 30 10 JEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C1CCN(C(=O)c2ccccc2)CC1 1705533487 XZQSMIUINFPLLE-FQEVSTJZSA-N 469.611 2.335 30 10 JEEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccccc1CN1CCC(O)CC1 1705546310 HQZTXCSOJFQITD-VWLOTQADSA-N 453.587 2.005 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1ccc(Cl)nc1)[C@@H]1CCS(=O)(=O)C1 1705565570 HNNONRGWTQAWQY-QGZVFWFLSA-N 456.959 2.372 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CCN(CC(F)(F)F)C1 1705602690 AKLMGUUZGLCSSM-FHWLQOOXSA-N 453.509 2.349 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1705603729 UALGVBAYOANWHW-SDHOMARFSA-N 477.609 2.366 30 10 JEEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1oc2ccc(F)cc2c1C 1705621668 KMJRWIUAJZNJAB-HNNXBMFYSA-N 463.535 2.216 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccccn2)n1Cc1ccc(CN2CCC(O)CC2)cc1 1705626165 KQWVNGGCYTUCNY-UHFFFAOYSA-N 460.582 2.431 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCS(=O)(=O)CC 1705674792 RCDBGBLMEMOSHC-HTAPYJJXSA-N 481.619 2.013 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1705699968 NNUVVQIZEVFJRN-CBZIJGRNSA-N 456.513 2.283 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)Cc1cscn1 1705900566 IMHICZVBUZXATH-UHFFFAOYSA-N 464.555 2.070 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1705901993 BXCNMFVOCYBYNS-UHFFFAOYSA-N 459.982 2.485 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 1705905291 PZQFSKHFBTVZTQ-LJQANCHMSA-N 465.602 2.041 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@@H](n2cncn2)C1 1705906506 HPPQTZMPOWOUSW-LJQANCHMSA-N 450.547 2.209 30 10 JEEE C=CCOc1ccccc1Cn1c(-c2cccn2C)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1705912309 GEECDVPVPYTGHM-SFHVURJKSA-N 470.599 2.367 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(C(N)=O)nc1 1722419199 RLUOBYMCBMPOMD-UGKGYDQZSA-N 478.528 2.323 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CC[C@@H](F)C1 1722420142 GILRXXFDCMHLCA-IEBWSBKVSA-N 463.579 2.420 30 10 JEEE C#CCSCCn1c(Cn2ccc3ccccc32)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1722463034 VWEKVDDGIIWZEQ-SFHVURJKSA-N 472.640 2.118 30 10 JEEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1722464598 LKWUAUMVRZXYNC-FHWLQOOXSA-N 450.605 2.143 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCCn1cc(CO)nn1 1722466412 UICOBPSXKMQPHF-HSZRJFAPSA-N 482.976 2.028 30 10 JEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 1722536752 ZVRHVHXUDOLGTP-GOSISDBHSA-N 462.595 2.344 30 10 JEEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](COCc2ccccc2)C1 1722553870 ALEVEQQTNZJTKV-VQTJNVASSA-N 496.033 2.407 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCOc2ccccc2Cl)CC1 1722565837 CLFRNVNDXCRSLO-IBGZPJMESA-N 482.006 2.500 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@H]1c1nncn1C 1722726239 ZSOQJPMSLYCMPX-IBGZPJMESA-N 498.613 2.218 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1722731107 DNNYPKJAEQJPFX-PMACEKPBSA-N 471.583 2.192 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCSCc1ccccc1F)[C@H]1CCS(=O)(=O)C1 1740615623 IAIMFVKMAUEWGF-SFHVURJKSA-N 493.630 2.116 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1CCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1740616916 IWOYNHHAVCWALD-RBUKOAKNSA-N 475.590 2.280 30 10 JEEE C#CCN(c1nnc(C(C)C)n1CCc1ccc(-n2cccn2)cc1)[C@@H]1CCS(=O)(=O)C1 1740617701 VQGZWNZZAPCKOO-OAQYLSRUSA-N 452.584 2.457 30 10 JEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1C[C@H]1CCCN1CCCO)[C@H]1CCS(=O)(=O)C1 1740620019 SMRJXFCNMZFHOM-RTWAWAEBSA-N 492.045 2.072 30 10 JEEE C#CCN(c1nnc(-c2nnc(O)c3ccccc23)n1CC(C)(C)SC)[C@H]1CCS(=O)(=O)C1 1740623121 OTNNYLLCKCBLQD-HNNXBMFYSA-N 486.623 2.362 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1C[C@H]1CN(Cc2ccccc2)CCO1)[C@H]1CCS(=O)(=O)C1 1740624997 CEIUAELYUMQUGJ-XZOQPEGZSA-N 485.654 2.004 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1CCc1ccccc1OCC)[C@H]1CCS(=O)(=O)C1 1740626196 KFOSCDHJXFRIBU-PMACEKPBSA-N 458.584 2.050 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCOC(C)(C)C 1740677957 VWSVCGQKUZXQFF-MRXNPFEDSA-N 451.568 2.482 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccc(C)s2)CC1 1740703619 YSVWPGXATRQUNU-QHCPKHFHSA-N 457.600 2.314 30 10 JEEE C#CCSCCn1c(Cc2ccc(F)cc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1740719537 OHIMMYSOTOTEDL-UHFFFAOYSA-N 465.620 2.235 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CCOC)CCCC1 1740731843 JGRHEERTRPVRAK-SIKLNZKXSA-N 479.647 2.200 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCOC2(CCCCC2)C1 1740752593 YIGUDGCOSXTKHP-OTWHNJEPSA-N 467.636 2.409 30 10 JEEE C=C(C)COCCn1c(-c2cccc(C#N)c2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1740790500 SRTIFUKSSQOEFE-XMMPIXPASA-N 463.542 2.224 30 10 JEEE C=C(Cn1c(C(=O)N2CCCC2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1)c1ccccc1 1740798925 DCNVEESZZRVTCD-UHFFFAOYSA-N 486.642 2.478 30 10 JEEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2cccs2)CC1 1740863548 AOPUGXHMUAHNJW-GOSISDBHSA-N 480.660 2.355 30 10 JEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1OCC(C)C 1740899819 JLRQPMDTYZLLRX-HXUWFJFHSA-N 463.604 2.316 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CC[C@@H](C(=O)N(C)c2ccccc2)C1 1740990989 LQZUSPGFECBRNW-UXHICEINSA-N 487.626 2.262 30 10 JEEE CC(C)n1nc(-c2nnc(N(C)C[C@@H](C)C#N)n2C[C@@H]2CCS(=O)(=O)C2)c2ccccc2c1=O 1741129559 FGLBAFGMKHFJMD-IRXDYDNUSA-N 483.598 2.266 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1CC[S@@](=O)C(C)(C)C 1741912907 CHRXKZFHJITGRU-HEJPQYQCSA-N 492.671 2.476 30 10 JEEE CCN1CCN(CCCn2c(-c3cccc(C#N)c3)nnc2N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)CC1 1746467195 BIJKJILSPGQEQY-VQTJNVASSA-N 487.674 2.102 30 10 JEEE CN(C)C(=O)[C@H]1CCCN1CCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(C#N)CC1 1747526061 GLTWCQPMHVCCFL-JOCHJYFZSA-N 460.586 2.499 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC(=O)NCCC)[C@@H]1CCS(=O)(=O)C1 1748805356 QLJWZNJNGJJOBO-FUHWJXTLSA-N 494.017 2.224 30 10 JEEE C#CCN(CC)c1nnc(-c2ccc(OC)c(Br)c2)n1CCCn1cc(CO)nn1 1748916814 DZWDUSQLHWFOBU-UHFFFAOYSA-N 474.363 2.350 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)s3)n2CCC(=O)NC(C)C)CC1 1748980046 XGOQAPOAZOCZBU-UHFFFAOYSA-N 465.421 2.439 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Br)n2CC2(O)CC2)CC1 1749010533 MSIVXTGTJKXEFP-UHFFFAOYSA-N 458.360 2.198 30 10 JEEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1749115190 MZMGATHTIQTXBY-QGZVFWFLSA-N 478.395 2.418 30 10 JEEE C=C(C)Cn1c(N2CCN(C(=O)C(=O)NC(C)C)CC2)nnc1C1(c2ccccc2)CCC1 1749207169 DWNXBCJGEQETDF-UHFFFAOYSA-N 450.587 2.497 30 10 JEEE C=C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1749293468 ODKXSMCNBFIMHK-XDOYNYLZSA-N 482.566 2.031 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1749368912 TYJMJDYLPHCOQM-AZUAARDMSA-N 491.662 2.016 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@H](c3cnn(C)c3)C2)cc1 1749683007 GKZAJSSHCIBCMQ-NRFANRHFSA-N 465.558 2.341 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(OC)c(OCC)c2)C1 1749712768 LKPJZPXAXKQBDB-MOPGFXCFSA-N 476.599 2.417 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 1749731406 CRDQZGKXTBJWHF-INIZCTEOSA-N 481.644 2.381 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1749731830 LRQNGESPWKGLHF-FQEVSTJZSA-N 492.690 2.060 30 10 JEEE CC(=O)N1CCN([C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCOCC(F)F)C[C@@H]2C)CC1 1749883023 LFDYUWKKKYXTQN-UWJYYQICSA-N 487.555 2.087 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3csc(C)n3)n2CCCc2cnn(C)n2)c1 1760127966 SIAKFEWTDHJDAY-UHFFFAOYSA-N 489.609 2.451 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CCCN1CCC(O)CC1)[C@H]1CCS(=O)(=O)C1 1760183025 LLMQRQNBHZBPMI-FQEVSTJZSA-N 492.045 2.072 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H](C)Oc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1760183392 BCUZAYNIEYAVDM-RTBURBONSA-N 453.568 2.378 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CN(CC(C)C)CCO1 1760240931 IJXNKPUXFIRQFS-YADHBBJMSA-N 468.577 2.365 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1CC1(S(C)(=O)=O)CCCC1 1760291060 YXQWIMXOKLXYTM-IFMALSPDSA-N 450.605 2.280 30 10 JEEE C=C(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1760341337 VFXSVOQROBYFMT-KRWDZBQOSA-N 451.980 2.451 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCOc1ccccc1Cl 1760346042 FOEARHONOJDHBU-GOSISDBHSA-N 469.995 2.356 30 10 JEEE C=C(Cn1c([C@H](C)CC)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1)c1ccccc1 1760362559 OCWMINSYNQLGMB-LJQANCHMSA-N 466.586 2.012 30 10 JEEE C=C(Cl)Cn1c(C2CC2)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1760373414 RIYRXNMHIHOLAJ-KFWWJZLASA-N 457.984 2.035 30 10 JEEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCCN(C(=O)c2ccsc2)CC1 1760452304 KQHOHRDBKSJRJW-UHFFFAOYSA-N 472.615 2.407 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCO[C@@H](C(F)(F)F)C1 1760556788 PZZJXSOCOHLWRL-MRXNPFEDSA-N 462.469 2.376 30 10 JEEE C[C@H]1CN(CCCn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H](C(N)=O)C2)CCCO1 1763198411 DKOSYPPQVCTDGQ-GHTZIAJQSA-N 451.575 2.019 30 10 JEEE CCCN(CCC)CCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@@H](C#N)C1 1764354667 CUUDSCSYNMCUKJ-IBGZPJMESA-N 478.601 2.433 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)[C@@H](C)Oc3cccnc3NC(=O)N3CCCNCC3)cc21 1858828965 DVFBDAGFBOVOLL-QGZVFWFLSA-N 479.537 2.470 30 10 JEEE C=CCNC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)c1ccc(Cl)cc1Cl 1861496127 LNYGOPPWTFZOKL-GOSISDBHSA-N 450.322 2.459 30 10 JEEE C=CCOc1ccccc1[C@H]1C(C(=O)N2CCC(CO)CC2)=C(N)Oc2c1c(CC)nn2C 1865224941 KNBIQSQGVPOYQX-HXUWFJFHSA-N 452.555 2.473 30 10 JEEE C=CCOc1ccccc1[C@@H]1C(C(=O)N(C)C2CCCCC2)=C(N)Oc2c1c(=O)n(C)c(=O)n2C 1865736823 PSGMGCZUSSIKQA-LJQANCHMSA-N 480.565 2.135 30 10 JEEE CCN(CC)CCNC(=O)[C@@H](Cc1c[nH]c2ccccc12)N=C1NS(=O)(=O)c2ccccc21 1869931894 LEUAWVXEZSOEKA-OAQYLSRUSA-N 467.595 2.276 30 10 JEEE COc1ccc(-n2nnc(C#N)c2NC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])cc1OC 1870156868 GBQVUVZPQNRUIB-UHFFFAOYSA-N 454.399 2.334 30 10 JEEE COCCN(CCOC)Cc1cc(=O)c(OCc2ccc(C#N)cc2)cn1CCCN(C)C 1870349579 SOWZRFGGEOLQAV-UHFFFAOYSA-N 456.587 2.345 30 10 JEEE C=CCn1cc(OCC(=O)Nc2cc(Cl)ccc2Cl)c(=O)cc1CN(CCO)CCO 1870727430 IQQGFAVMUXQGCN-UHFFFAOYSA-N 470.353 2.145 30 10 JEEE C=CCN=c1nc(N2CCN(c3ccccc3OC)CC2)[nH]c(=Nc2ccc3c(c2)OCCO3)[nH]1 1871711121 BBYNZCVMKIKXCK-UHFFFAOYSA-N 475.553 2.163 30 10 JEEE Cc1cc(N2CCOCC2)nc(CNC(=O)[C@@H]2SCC(=O)N(C(C)C)[C@H]2c2ccc(C#N)cc2)n1 1889434732 AUISVIFKAURCLQ-BJKOFHAPSA-N 494.621 2.203 30 10 JEEE CN(C)CCN1CC[C@H](CNC(=O)C2CCN(c3oc(-c4cccs4)nc3C#N)CC2)C1 1891276089 IWJDPMUBGQIOHB-QGZVFWFLSA-N 456.616 2.491 30 10 JEEE N#Cc1ncccc1OCC1CN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)C1 1891895709 DYWDGFWTNYGNTG-KRWDZBQOSA-N 458.515 2.030 30 10 JEEE N#Cc1cccnc1N1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)COc2ccccc2)CC1 1892335417 YNPFPTVMCICJLS-XMMPIXPASA-N 469.545 2.408 30 10 JEEE C=C1C(=O)O[C@@H]2C=C(C)[C@@H](OC(C)=O)C/C=C(/COC(C)=O)C[C@@H](OC(=O)/C(C)=C/CO)[C@@H]12 2080653055 HPWMABTYJYZFLK-HFONUBLVSA-N 462.495 2.096 30 10 JEEE COC[C@]1(C(=O)N2C[C@@H]3[C@H](C2)[C@@H]3B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)CCO1 2180983479 CWHASANHPNRJNA-IPPNXFFKSA-N 466.384 2.190 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CCS(C)(=O)=O)C(=O)N1CC[C@@H]2C[C@@]2(B2OC(C)(C)C(C)(C)O2)C1 2194129488 VHUKPHTUCNBZKG-XCGNWRKASA-N 486.440 2.399 30 10 JEEE C=C1CC(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 2220107813 CJXGCWNZMPKBMX-BRWVUGGUSA-N 451.564 2.286 30 10 JEEE CC1(C)OB(c2cnc(C(=O)NC3CCN(C(=O)OCc4ccccc4)CC3)nc2)OC1(C)C 2255639200 DDYKGUHQGWTGSD-UHFFFAOYSA-N 466.347 2.307 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H]1CNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2255795945 KKBJAGQRLMLILI-KGLIPLIRSA-N 472.438 2.486 30 10 JEEE COCC[C@@H](CNC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2255802828 FPGQMLMGDUTBNG-ZDUSSCGKSA-N 455.386 2.102 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCOC[C@H]1NC(=O)c1ccsc1B1OC(C)(C)C(C)(C)O1 2255809535 YWRYKRASCNYLIY-LSDHHAIUSA-N 452.382 2.459 30 10 JEEE CC(C)(C)OC(=O)N1CC(CCCC(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2256677656 GMGURWBALNULSX-UHFFFAOYSA-N 452.386 2.235 30 10 JEEE C[C@@H](C[S@](C)(=O)=NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn1C)NC(=O)OC(C)(C)C 2267261372 UGXDLGLOFZDJJZ-BYLKAPHFSA-N 469.413 2.476 30 10 JEEE C[C@H]1[C@H](NC(=O)C(F)(F)F)[C@H](C)CCN1C(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2267478515 YZOYWEWEWZQIQU-NTZNESFSSA-N 461.315 2.360 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2c(Cl)cccc2B2OC(C)(C)C(C)(C)O2)[C@H](O)C1 2267479465 MCQFRNAKAUYOTI-JKSUJKDBSA-N 466.771 2.349 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2Cl)C1 2267727951 MTXGXUOBTJAELG-IRXDYDNUSA-N 466.771 2.349 30 10 JEEE COC[C@@H](ONC(=O)OC(C)(C)C)C(=O)NCc1sc(B2OC(C)(C)C(C)(C)O2)cc1C 2268640886 ZNTAGPVKQHUDGK-CQSZACIVSA-N 470.397 2.443 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@](O)(CC(=O)NCc2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2268653604 PGFLLLSLYCTVBX-JOCHJYFZSA-N 466.409 2.426 30 10 JEEE CC1=C(B2OC(C)(C)C(C)(C)O2)CCN(C(=O)[C@H](CCC(N)=O)NC(=O)OC(C)(C)C)C1 2268716132 MFOUUAAIYAGZTL-INIZCTEOSA-N 451.373 2.325 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)c(N2C[C@H]3[C@@H](C2)OCCN3Cc2ccccc2)n1 2280576983 LPLYPHOLEIGFSJ-LEWJYISDSA-N 451.376 2.479 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2F)C1 2281788511 BRPOBRVLOYAYLX-MRXNPFEDSA-N 464.343 2.491 30 10 JEEE Cn1ncc(C(=O)N2C[C@H]3CN(Cc4ccccc4)C[C@]3(C)C2)c1B1OC(C)(C)C(C)(C)O1 2281816571 YSAMSCOSLNFSKZ-KBMIEXCESA-N 450.392 2.313 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)[C@H](C(F)(F)F)C1 2281927120 VXKJKCHBUFWTEM-ZDUSSCGKSA-N 474.289 2.333 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@@]2(CCN2C(=O)OC(C)(C)C)C1 2281964786 CPDNRSCFSSOJBW-HSZRJFAPSA-N 460.384 2.428 30 10 JEEE CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1CCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2281991150 WREBYGHWBKMKHA-ZDUSSCGKSA-N 470.326 2.474 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(OC)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)n1 2281995665 FYXSSEOIAGWZED-OAHLLOKOSA-N 464.372 2.215 30 10 JEEE COC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2282189564 KKRKGWNCFUVVTQ-INIZCTEOSA-N 461.368 2.089 30 10 JEEE CC1(C)OB(c2occc2C(=O)N2CC[C@@](CNC(=O)C(F)(F)F)(C3CC3)C2)OC1(C)C 2282196446 AICOKNYIZGSIFF-FQEVSTJZSA-N 456.270 2.500 30 10 JEEE CCc1nc(C(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2282525540 LCNYDDDTUPAYBR-XMMPIXPASA-N 471.432 2.372 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC[C@H]2[C@H]1CCN2C(=O)OC(C)(C)C 2282535677 RPBKGWGXHWHOEM-DLBZAZTESA-N 460.384 2.333 30 10 JEEE CN(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)[C@H]1CCC[C@H]1CNC(=O)OC(C)(C)C 2282536114 YENDYHQMXGKOKD-RDJZCZTQSA-N 462.400 2.485 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(C)CCOCCNC(=O)OC(C)(C)C)n1 2282554983 LYUNGWMRQUELGA-UHFFFAOYSA-N 463.384 2.303 30 10 JEEE CO[C@@H]1CN(C(=O)c2nc(C)ccc2B2OC(C)(C)C(C)(C)O2)C[C@H]1NC(=O)OC(C)(C)C 2282555680 XAMYPUZFGHSLHI-IAGOWNOFSA-N 461.368 2.053 30 10 JEEE Cn1ncc(C(=O)NC[C@]2(F)C[C@H](CNC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2282557392 VABSOTNKGVTVSE-CAJLXGCNSA-N 466.363 2.092 30 10 JEEE Cc1nn(C)c(C(=O)N[C@H](C)CC2CN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2282563667 ISKSNCKPESRFOJ-CQSZACIVSA-N 462.400 2.403 30 10 JEEE CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2282579481 FMOSELFMINVEOJ-ZDUSSCGKSA-N 470.326 2.331 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2C[C@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)n1 2282593454 QUMCKPGKPZQDJI-BHYGNILZSA-N 460.384 2.330 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1CC2(C1)CN(C(=O)OC(C)(C)C)C2 2282593851 WNOZVGIUJNKPCP-UHFFFAOYSA-N 460.384 2.332 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CCCN(C(=O)c3ncc(B4OC(C)(C)C(C)(C)O4)cn3)[C@@H]2C1 2282623831 HTPWBPWTWGYDPH-DOTOQJQBSA-N 458.368 2.247 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)NC[C@]1(NC(=O)OC(C)(C)C)CCOC1 2285209955 BXMNHQFXZWKANH-HSZRJFAPSA-N 461.368 2.103 30 10 JEEE COc1ccc(C(O)=C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccccc2)cc1OC 2296136118 QMAJNQRCCQSWPM-QFIPXVFZSA-N 452.507 2.458 30 10 JEEE COc1cc(OC)c(OC)cc1C=C1Oc2c(ccc(O)c2CN2CCN(CCO)CC2)C1=O 2296342612 BFUGOXWPPVJJDV-UHFFFAOYSA-N 470.522 2.144 30 10 JEEE CC(C)(C)OC(=O)N1CC([S@](C)(=O)=NC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C1 2315639380 BFKMJEZWGBUDRQ-HKBQPEDESA-N 471.410 2.300 30 10 JEEE CC(C)(C)OC(=O)N1[C@H]2CCO[C@H]2C[C@@H]1C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2359383645 XSMKAVPSEAHQAG-BBWFWOEESA-N 459.352 2.486 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCCC12CN(C(=O)OC(C)(C)C)C2 2362357442 NSQHSKOZPPHKDK-OAHLLOKOSA-N 460.384 2.239 30 10 JEEE COc1cc(/C=N/Nc2nnc(SCC(=O)Nc3c(F)cccc3F)n2N)cc(OC)c1OC 20827283 SENBPVLQNXRGSP-PGGKNCGUSA-N 493.496 2.473 30 10 JEEE C=CCn1c(=O)c2sc(N(CC)CC)nc2n(CC(=O)Nc2cccc(C(=O)OCC)c2)c1=O 21655811 GTLFDGUGVSFXNN-UHFFFAOYSA-N 485.566 2.467 30 10 JEEE Cc1ccc([C@H]2C3=C(Nc4[nH]c5c(c(=O)c42)c(=O)n(C)c(=O)n5C)c2ccccc2C3=O)cc1 104764551 XRRQZFJJDCCEKM-INIZCTEOSA-N 452.470 2.399 30 10 JEEE CN1CCN(S(=O)(=O)c2ccc(NC(=O)[C@@H]3CCCN3c3ccc(C#N)cc3)cc2)CC1 609093819 AXSAXYLQJAPBFD-QFIPXVFZSA-N 453.568 2.102 30 10 JEEE CCOc1cc(C=NNc2nnc(SCC(=O)Nc3cccc([N+](=O)[O-])c3)n2N)ccc1O 1084286908 FMDRLOWSGUTFKD-UHFFFAOYSA-N 472.487 2.181 30 10 JEEE COC(=O)c1ccc(C=NNc2nnc(SCC(=O)Nc3ccc(F)cc3C)n2N)cc1 1084605048 AXAQDEYXPABENK-UHFFFAOYSA-N 457.491 2.403 30 10 JEEE C#CCOc1ccc(F)cc1NC(=O)N(C)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 1201297460 GXVRPZHMNTZUBK-UHFFFAOYSA-N 450.448 2.188 30 10 JEEE C#CCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(C(=O)NCCCOC)CC1 1286345587 JCFQNQAITPPOQT-UHFFFAOYSA-N 467.570 2.499 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cc(Cl)c2c(c1)OCCO2 1286397161 MGLLFJBCEGFNFC-UHFFFAOYSA-N 462.897 2.471 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)Oc1ccc(Cl)cc1 1286420497 QEAMROBMCUKESC-IAGOWNOFSA-N 463.991 2.472 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H](C2CC2)N(C)C)CC1 1286486552 GPFXWTAAVKQJPD-OAQYLSRUSA-N 465.558 2.159 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1286558831 RBAAIOKJVJHVAE-ICSRJNTNSA-N 460.623 2.021 30 10 JEEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(CS(C)(=O)=O)CC1 1286726865 JNOYBXKIWDCHNY-INIZCTEOSA-N 469.608 2.034 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)NCC1CC1 1286758369 LMLMWAUZHLOENV-SFHVURJKSA-N 460.579 2.291 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C)c(Br)c2)nnc1N(C)CCCS(C)(=O)=O 1286783306 OCDKSOZMKITBKR-UHFFFAOYSA-N 484.420 2.189 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1286818747 NEHNNGAFPCHFNX-UHFFFAOYSA-N 467.477 2.176 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC(NC(=O)Nc2ccccc2)CC1 1286820335 JNXHEVGMPJMMBW-SFHVURJKSA-N 488.614 2.173 30 10 JEEE CC(C)C(=O)NCCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(N2CCOCC2)CCSC1 1287133769 GMDIAHIECPIQEX-VWLOTQADSA-N 497.669 2.233 30 10 JEEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1300345106 OTITVJZELKLDFN-QFIPXVFZSA-N 476.624 2.167 30 10 JEEE C#CCN(c1nnc(C(C)C)n1Cc1cccc(Cn2ccnc2)c1)[C@@H]1CCS(=O)(=O)C1 1300485051 TZVSZWYQZXZDKH-OAQYLSRUSA-N 452.584 2.321 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC[S@](=O)C(C)(C)C 1300538840 VNYOLQWQCKJIRF-GDTDKIKOSA-N 477.631 2.207 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)Oc1ccc(OC)cc1 1300578384 LSMPUFRANIONHH-MOPGFXCFSA-N 456.568 2.119 30 10 JEEE C#CCN(CC#CC)c1nnc(COc2ccc(OC)cc2)n1CC(C)(C)N1CCOCC1 1300591687 WCHHSPGTGCNHDS-UHFFFAOYSA-N 451.571 2.439 30 10 JEEE C=C(C)COCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCN(CC)C(=O)C1 1300991159 PYASPHXGPWWGPY-LJQANCHMSA-N 492.621 2.238 30 10 JEEE C=CCCCCn1c(N2CCN(C(=O)N3CCOCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1301199080 WLALCCNJLRRFKS-XMMPIXPASA-N 476.622 2.249 30 10 JEEE C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1301434343 KOOJAJYENNLCMD-AWEZNQCLSA-N 455.382 2.226 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2CC[C@@H]2COCCO2)c1 1358901797 XEYSMAOICGJAIK-ATIYNZHBSA-N 497.596 2.180 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@](C)(O)[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1358958873 XTTSCVGERPBZLC-PDOGEWKWSA-N 490.626 2.386 30 10 JEEE C#CCN(c1nnc(-c2cnn(-c3ccccc3)c2)n1CC(C)(C)CN(C)C)[C@H]1CCS(=O)(=O)C1 1358961275 VQECJQTUSYFCOQ-QFIPXVFZSA-N 495.653 2.345 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCOc1ncccc1Cl)[C@H]1CCS(=O)(=O)C1 1358961573 BKOWKROPASDEGD-WMZOPIPTSA-N 479.990 2.274 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1cn(CCCC)nc1C)[C@H]1CCS(=O)(=O)C1 1358961739 DNJCFSOBRZURNN-FPOVZHCZSA-N 474.631 2.152 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1358974504 HZWCWCUGCVRTOM-NRFANRHFSA-N 451.538 2.390 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC1(O)CCOCC1 1359024036 DBOMIWADJSWUJY-HXUWFJFHSA-N 491.633 2.410 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)COCCO2)n1 1359027552 NJCLOCHBUCPGCN-RUZDIDTESA-N 475.553 2.105 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2CCCO2)CC1 1359041703 FSAKDTPJPAETQH-MRXNPFEDSA-N 461.364 2.181 30 10 JEEE C#CCSCCn1c([C@H](C)OCCOC)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1359049799 WNJOTJSBLXWJHJ-KRWDZBQOSA-N 453.609 2.426 30 10 JEEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1359051256 QQMXJCMRPWVIHB-LJQANCHMSA-N 496.680 2.119 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](CCc2ccccc2)C1 1359056367 DFYWJQDJJRAUMW-SFTDATJTSA-N 474.652 2.385 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1359294431 TUXZOAAQAVPOJW-IAGOWNOFSA-N 460.485 2.096 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC(S(=O)(=O)CC)CC1 1359296159 YXJNILXPAQMPKP-UHFFFAOYSA-N 451.980 2.304 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC(NC(=O)c2cc(C)oc2C)CC1 1359302599 MRMSWIWFRAOCNK-UHFFFAOYSA-N 477.569 2.175 30 10 JEEE C=CCS(=O)(=O)CCNC(=O)N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](c2ccc(OC)cc2)C1 1478285363 XBIWZABJJBSBBA-RBUKOAKNSA-N 467.588 2.298 30 10 JEEE C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C#N)cc2)n1CCNc1nccc(C(F)(F)F)n1 1493168301 CRDIWIJOOVZDJM-CQSZACIVSA-N 485.474 2.405 30 10 JEEE CC[C@@H](C)N(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1496187301 FTGLWSXGGNUHEP-NFBKMPQASA-N 495.628 2.287 30 10 JEEE CN(C)C(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1503361199 BNABKSYNQCGDLX-DEOSSOPVSA-N 462.558 2.171 30 10 JEEE C#CCN(c1nnc(COc2ccccc2OC)n1CCc1ccccn1)[C@H]1CCS(=O)(=O)C1 1507637882 NEFAWNOSZUZSPB-FQEVSTJZSA-N 481.578 2.130 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2Cc2cccn(CC)c2=O)CC1 1507742341 HMKRYNUGYNACNR-UHFFFAOYSA-N 494.546 2.343 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2Cc2conc2COC)CC1 1507743002 VDRSPADLSFUZJL-UHFFFAOYSA-N 462.554 2.326 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccccc2OC)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1507807771 FCKYZIUEESKOBM-SPEDKVCISA-N 476.599 2.470 30 10 JEEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1508155953 UEZANASZOPOVHN-UHFFFAOYSA-N 485.639 2.306 30 10 JEEE CC[C@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@@H](C)CN1CCN(CC)CC1 1513024186 DYOXHKGQOFZLKI-FKBYEOEOSA-N 494.692 2.442 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1539030535 RTWDNRYZDLFSDL-KNQAVFIVSA-N 463.586 2.129 30 10 JEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1C[C@@H](OCC)C1(C)C 1539072934 ZFWJEBMZGRGBHC-GBESFXJTSA-N 467.636 2.054 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(Br)c2)n1CCC(=O)N1CCOCC1 1539251978 UNIPSPIHKGGTRF-UHFFFAOYSA-N 486.370 2.038 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCCCS1(=O)=O 1539422801 LOQSLEVRBWZAFL-OALUTQOASA-N 495.646 2.403 30 10 JEEE C#CCN1CCN(c2nnc([C@H](CC)c3ccccc3)n2CCCN2CCC(O)CC2)CC1 1539430948 PGBLCSDLQBJXKM-XMMPIXPASA-N 450.631 2.422 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2CC2(COC)CCOCC2)CC1 1539461100 AKMZTZAZPNBDLF-UHFFFAOYSA-N 469.586 2.064 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCCNC(=O)C(C)C)CC1 1539461468 GKOVKHVPSIMMCL-UHFFFAOYSA-N 452.603 2.391 30 10 JEEE C=CCN(CC=C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1CCCS(=O)(=O)C1 1540170534 OUQWJVWORGXMLJ-LJQANCHMSA-N 471.631 2.455 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1540864042 NHGPOQKDOLTCDT-CABCVRRESA-N 463.380 2.211 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1540865697 PCWUZYUWWOWPCW-QGZVFWFLSA-N 496.431 2.413 30 10 JEEE CC(=O)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCn2ccnc2C)CC1 1540969949 CTENHQGBTKMQOV-UHFFFAOYSA-N 462.558 2.383 30 10 JEEE CCN1CCN(C[C@@H](C)Cn2c(COc3ccc(C)c(C)c3)nnc2N2CCO[C@H](C#N)C2)CC1 1547730234 DFKWTICEQYNMSG-HYBUGGRVSA-N 481.645 2.476 30 10 JEEE Cc1cc(C(=O)N2CCC3(CC2)CN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@H]3C(N)=O)nn1C 1548377489 NAWBSAFPJLNIGP-SFHVURJKSA-N 474.487 2.463 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCOc1ncccc1F 1587579348 FLDUZJPMDATFOE-MRXNPFEDSA-N 472.546 2.266 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(Br)s2)n1Cc1ccc(C(N)=O)nc1 1588104993 GVZKALHSBGZJFO-UHFFFAOYSA-N 455.341 2.384 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2C[C@H](C)N2CCN(CC)CC2)CC1 1588913243 DJISALDYSBWUCT-FQEVSTJZSA-N 481.620 2.076 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC)n2C[C@@H]2CN(Cc3ccccc3)CCCO2)CC1 1588946556 DSOCNDXHBJTSPN-QHCPKHFHSA-N 464.614 2.097 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(CC(=O)NCC)CC1 1589514534 HAHWPKLNVHJLSI-OFNKIYASSA-N 468.602 2.193 30 10 JEEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2cc(C)ccc2OC)CC1 1589708615 QSTUJJOTZDRFKB-SFHVURJKSA-N 462.620 2.104 30 10 JEEE C=CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1594687003 AVBUGIVCVPYOQW-INIZCTEOSA-N 479.603 2.407 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(F)(F)C1(OC)CCOCC1 1595219864 YUWMJLLILZRRBQ-INIZCTEOSA-N 460.547 2.190 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2CCCOC2)n1CC1(NC(=O)OC(C)(C)C)COC1 1595297007 LJUCYFFOXVOWNG-KRWDZBQOSA-N 451.568 2.105 30 10 JEEE C=CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1595367111 ZWJKJXAWCMYLJZ-UHFFFAOYSA-N 461.452 2.002 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCN(c2ncccc2C#N)CC1 1595805869 WNYHTZLPIPVODK-UHFFFAOYSA-N 495.584 2.202 30 10 JEEE C[C@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](C#N)C1)c1nccs1 1611498350 BXPZBAKIBUTFSS-GDBMZVCRSA-N 458.569 2.338 30 10 JEEE CCOC(=O)[C@@H]1S/C(=N/C(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)N(C)[C@@H]1C 1613976237 KQGGMYQLSKHFGJ-JWCOECATSA-N 467.613 2.277 30 10 JEEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCc1ccc(OCCN(C)C)cc1 1614028460 FAUMHTYFPUSVKZ-HXUWFJFHSA-N 489.628 2.400 30 10 JEEE CN(C)S(=O)(=O)c1ccccc1Cn1c([C@H]2CCOC2)nnc1N1CCC[C@@](C)(C#N)C1 1617705581 AVHQRKJGZXFNIP-AVRDEDQJSA-N 458.588 2.211 30 10 JEEE CS(=O)(=O)CCN(c1nnc(-c2cccc(C#N)c2)n1CCn1cc(Cl)cn1)C1CC1 1620163575 CUSXWYJJVDIMBS-UHFFFAOYSA-N 459.963 2.380 30 10 JEEE C=C(C)C[C@@H](NS(=O)(=O)c1cc(S(C)(=O)=O)ccc1Br)C(=O)OCC 1665797169 PDVGSZKWHLHOBA-CYBMUJFWSA-N 454.364 2.029 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CC(=C)Br)[C@H]1CCS(=O)(=O)C1 1689982941 XOQDEYDSTYVCAR-INIZCTEOSA-N 465.373 2.489 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1CCc1nccs1)[C@H]1CCS(=O)(=O)C1 1689991759 BZSARDPWXVENKT-SFHVURJKSA-N 471.608 2.203 30 10 JEEE C#CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccoc1)[C@@H]1CCS(=O)(=O)C1 1689998687 TWYPKUILMFLYAF-CEXWTWQISA-N 489.598 2.317 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H](OC)C(C)(C)C 1690101059 MYHFFCWNDPYHKZ-LJQANCHMSA-N 452.559 2.339 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1690103998 KBDGJRWMDCTCEB-VIZSFHNOSA-N 469.586 2.376 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[C@@H]2CCO[C@@H](C)C2)CC1 1690114604 ABOJSYPARVKALH-VQTJNVASSA-N 471.627 2.309 30 10 JEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](c2cccs2)N(C)C)CC1 1690131959 BPDHPPBNOUNKDL-FQEVSTJZSA-N 452.632 2.259 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC2(CS(C)(=O)=O)CC2)CC1 1690139762 ZRIQYIWPFRVGQV-UHFFFAOYSA-N 490.029 2.389 30 10 JEEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1690227720 FXYHYNCKOFHNJC-HOTGVXAUSA-N 476.441 2.189 30 10 JEEE C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1690276245 SLVTZDGNRXUQAM-UHFFFAOYSA-N 457.398 2.472 30 10 JEEE C=C(Cl)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(c2cnn(C)c2)CC1 1690334101 DLTBGXAEEFTYGR-UHFFFAOYSA-N 491.021 2.008 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1690384586 XONMKUHUQYOHBA-HTAPYJJXSA-N 481.619 2.056 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN(C)C(=O)OC(C)(C)C 1691003452 HDIYNLVBUUGSFZ-HOTGVXAUSA-N 454.597 2.033 30 10 JEEE CC(C)N(CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C)C(C)C 1693745604 GSVJJDTZHWLLGL-PMACEKPBSA-N 494.648 2.115 30 10 JEEE COCC1(CCn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N2CCO[C@H](C#N)C2)CCC1 1697796411 AVRYJROSPCNZSU-LJQANCHMSA-N 488.614 2.131 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1705562669 HQVRWBDORBBWER-QUCCMNQESA-N 488.610 2.404 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1cccc(C(=O)NCCC)c1)[C@H]1CCS(=O)(=O)C1 1705566640 PETPNIUUQQPVDH-FCHUYYIVSA-N 499.637 2.335 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCN2CCOC(C)(C)C2)CC1 1705643502 IKWLSCYYDWUNFZ-NHCUHLMSSA-N 458.651 2.063 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@H]2CCOC2)CC1 1705651201 NMYVAOSXLULQQB-FQEVSTJZSA-N 462.554 2.121 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](c2cccs2)N(C)C)CC1 1705651435 WRICBSPSIKMXSO-OAQYLSRUSA-N 494.669 2.470 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(OCC2CC2)CC1 1705698291 RSFSFWOVRSQHLS-QRFRQXIXSA-N 467.636 2.265 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(F)ccc1N1CCOCC1 1705710510 NDSRXOAWBQJIIA-QGZVFWFLSA-N 480.610 2.315 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1705737470 RVDRFGPHQZJSGA-KRWDZBQOSA-N 481.022 2.148 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N(CC)Cc1nc(O)c2sccc2n1 1705905446 VOLSRJIHWCROGR-UHFFFAOYSA-N 464.555 2.303 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2OCC)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1705908216 KZQQROBRGSVBCM-CLOONOSVSA-N 485.585 2.332 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccnc3)n2C[C@H](N2CCOCC2)C(F)(F)F)C1 1705918171 DMAJVJWPNBYQJW-ROUUACIJSA-N 452.481 2.385 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H]1c1ccc2c(c1)OCO2 1705928729 TXICTKYOCWQAKS-QGZVFWFLSA-N 475.571 2.087 30 10 JEEE CCN(C)C(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1709901435 FRDDKAIBOOERRO-UHFFFAOYSA-N 460.542 2.025 30 10 JEEE CCN1CCN([C@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(C(=O)OC)CC2)CC1 1710269673 ALAHXULBOCHFQJ-HXUWFJFHSA-N 495.628 2.144 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1722284022 VJTPUPGGEJECDO-FHWLQOOXSA-N 463.590 2.267 30 10 JEEE C#CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC(NS(C)(=O)=O)CC1 1722333837 OWHCJRDBKXXHEY-UHFFFAOYSA-N 494.662 2.324 30 10 JEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1ccc(OC)c(O)c1 1722376361 MVKYJEMMUGICDY-UHFFFAOYSA-N 478.578 2.382 30 10 JEEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H](C)CN1CCN(CC)CC1 1722399651 QUMATQSKZNRJJZ-QHCPKHFHSA-N 472.641 2.253 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC[C@H](C(F)F)N1CCOCC1 1722433266 YSRSUAUYVHIXBG-HXUWFJFHSA-N 499.566 2.490 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@H]2CCCN2CC)CC1 1722448756 GYVJWKDPDNELGN-QFIPXVFZSA-N 464.614 2.328 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cn2ccc3ccccc32)nnc1N(C)CCNS(C)(=O)=O 1722508026 ZVRUITYCZPHRHB-KNQAVFIVSA-N 472.615 2.248 30 10 JEEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1722537426 OBPXAQTUZDLXNP-OALUTQOASA-N 452.563 2.142 30 10 JEEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 1722618857 WAECKBZVGZVOCB-CVEARBPZSA-N 450.565 2.231 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cn2ccc3ccccc32)nnc1N1CCC[C@@H](C(=O)OC)C1 1722730296 NXXKRYKLSYPYFE-LJQANCHMSA-N 471.583 2.271 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1Cc1cccnc1OCC(F)(F)F 1723910832 GEAIQMQHLBZRRY-STQMWFEESA-N 475.497 2.011 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ccc(OC)nc1 1740646967 GHOGZIZUHUTOPV-UHFFFAOYSA-N 478.578 2.110 30 10 JEEE C#CCN(CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@H]1CCCCS1(=O)=O 1740662294 IRQUQBNMKUKMRB-KRWDZBQOSA-N 462.572 2.398 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC[C@](C)(O)c2ccccc2)CC1 1740709581 IYTUDJOYEVRAHN-MYIHVTGJSA-N 495.624 2.266 30 10 JEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl 1740709718 QKSKUPOFUXNRLL-HEHGZKQESA-N 466.460 2.275 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1740755988 MWYMVSVOMNIMHB-RMEPHLEKSA-N 456.543 2.295 30 10 JEEE C=CCNC(=O)Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCN2C(=O)CC[C@@H]2C1 1740962735 MWHJXJDRHZHMNQ-LJQANCHMSA-N 487.004 2.365 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](c2cccc(Cl)c2)C1 1740986482 YVRQHHZLUVBSFY-SFHVURJKSA-N 482.006 2.248 30 10 JEEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN(C(=O)OC(C)(C)C)C1CC1 1741802002 DQHRRSFUTPYIKV-HZPDHXFCSA-N 466.608 2.318 30 10 JEEE Cc1cccc([C@H](Cn2c(C(=O)NC(C)C)nnc2N2CC[C@](F)(C#N)C2)N2CCOCC2)c1 1742303677 AAXKMEKNLZRFHW-RDPSFJRHSA-N 469.565 2.240 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(CN2CCOCC2)c1 1748638815 WZDBIGLALFKJPH-LJQANCHMSA-N 459.554 2.264 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1748651932 UEWAZDQAKSPJDA-WXVUKLJWSA-N 487.626 2.382 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCS(=O)(=O)NC(C)C 1748687342 IOHMPASYRJODJD-IRXDYDNUSA-N 468.624 2.136 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Cl)n1C[C@@H]1CCCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 1748808671 FUQLCPLKSJXGNQ-IRXDYDNUSA-N 497.042 2.050 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@]1(O)CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1748809187 KJBSCCPCGIZDGD-NXMSCROESA-N 488.610 2.140 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@H](C)Oc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1748819964 VSTFODKMBDZDED-AZUAARDMSA-N 483.569 2.497 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)C1CCN(CCn2cccn2)CC1 1749116072 ZLEQNXJKBJEFGA-UNMCSNQZSA-N 484.649 2.195 30 10 JEEE C=CCCCn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1749436968 AOLNAMJLTBDJQA-UHFFFAOYSA-N 458.538 2.136 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@H](CNC(=O)CCC)C1 1749670429 TUNBQSGXINWACX-NQIIRXRSSA-N 482.585 2.226 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H](C)c1ccc([S@](C)=O)cc1 1749721933 WZEDUZBSZZBTOG-IQVDJAOASA-N 493.655 2.050 30 10 JEEE CC(C)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCO[C@@H]2C)CC1 1750902613 ABDPRKIUEFXOJZ-NTKDMRAZSA-N 454.575 2.189 30 10 JEEE Cc1ccc(NC(=O)c2nnc(N3CCO[C@H](C#N)C3)n2C[C@](C)(O)c2ccco2)cc1C 1751544235 DUYCISHSVHABOS-JPYJTQIMSA-N 450.499 2.377 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1C[C@H]1CCCCS1(=O)=O)[C@@H]1CCS(=O)(=O)C1 1760182570 GLUHWWYOVODRHE-RTBURBONSA-N 497.042 2.193 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H](C)COc1ccccc1OC)[C@H]1CCS(=O)(=O)C1 1760190847 ZUVRJEDOCZEWRI-QUCCMNQESA-N 498.609 2.029 30 10 JEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCO[C@@H]1C(=C)C 1760200940 YAWDICOTTDCZIO-UYAOXDASSA-N 452.584 2.292 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2ccc(OCCN(C)C)cc2)CC1 1760260116 WAYHWRWJZDTJKS-QHCPKHFHSA-N 452.603 2.264 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@H]2CCOC[C@@H]2OC)CC1 1760270917 FOSMUQOFOQCJES-GMAHTHKFSA-N 481.597 2.183 30 10 JEEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1760278792 HFTTXQSAIDPXEC-UHFFFAOYSA-N 450.568 2.318 30 10 JEEE C=CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](C)(C(=O)NC)C1)c1ccccc1 1760418348 QYUPWHORLKBVTR-GEQKSPFYSA-N 474.631 2.211 30 10 JEEE C=CCCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC2(CC1)C(F)(F)C21CC1 1760445320 GLZQEZBOGNYUKE-OAHLLOKOSA-N 459.563 2.497 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCCCO2)n1C[C@@]1(O)CCS(=O)(=O)C1 1760499220 ROOKFBYKWPWBGN-OFNKIYASSA-N 460.600 2.304 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCC(F)(F)F)nc1 1761362499 COKCKSBZWCWKOW-DZGCQCFKSA-N 472.493 2.303 30 10 JEEE CCC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCOC[C@H]2C)CCN1CCOC 1763950879 HLRRZSIQDNEKIT-QPPBQGQZSA-N 481.645 2.475 30 10 JEEE CCN(c1nnc(-c2ccc(C#N)cc2)n1CC1CCN(C(C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1764756468 AOAQDCVZLCNFJO-NRFANRHFSA-N 470.599 2.089 30 10 JEEE CCNC(=O)C(C)(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@H](C)CC#N 1765595023 GQUZELKOQRFIFG-OAHLLOKOSA-N 450.547 2.093 30 10 JEEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CC[C@@H](C)C2)CC1=O 1771149384 CUUCHVBUWVWBDF-QUCCMNQESA-N 452.559 2.460 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1772660229 LJMSTKCLIYJHQQ-UHFFFAOYSA-N 499.000 2.188 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)CN3CCN(S(=O)(=O)c4ccccc4Cl)CC3)cc21 1858635343 RIIHEOIMARFQFN-UHFFFAOYSA-N 489.981 2.441 30 10 JEEE Nc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(S(N)(=O)=O)cc3)[C@H]2c2ccc(O)c(O)c2)c1 1862556806 FRDAXCVSBHHUEX-NRFANRHFSA-N 495.513 2.106 30 10 JEEE COc1ccc(OC)c(C2=C(Nc3cccc(C#N)c3)C(=O)N(CCCN3CCOCC3)C2=O)c1 1863376407 RBMLPRMLAWUVFL-UHFFFAOYSA-N 476.533 2.490 30 10 JEEE C[C@@H](C(=O)O)N(CCC#N)C(=O)c1c[nH]c2c(F)cc(I)cc2c1=O 1866446898 RHQNRKQRLFSQHF-QMMMGPOBSA-N 457.199 2.101 30 10 JEEE CC(C)C[C@@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)NC[C@H](c1ccc(O)cc1)N(C)C 1869933697 MNEPFDLIJTTYOG-WOJBJXKFSA-N 458.584 2.265 30 10 JEEE COc1ccc(Cn2nnc3c(=O)n(CC(=O)Nc4sc5c(c4C#N)CCC5)cnc32)cc1F 1870104049 OBWMNCAHRRXCEG-UHFFFAOYSA-N 479.497 2.245 30 10 JEEE CON(C(=O)c1c(C)nsc1B1OC(C)(C)C(C)(C)O1)C1CN(C(=O)OC(C)(C)C)C1 2255625200 OAPYRLIGZRBAQN-UHFFFAOYSA-N 453.370 2.374 30 10 JEEE CC(C)(C)OC(=O)N1CC(CCO)(NC(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2255657206 LOPQPGBMKRXHEQ-UHFFFAOYSA-N 452.382 2.149 30 10 JEEE C[C@@H](CNC(=O)OC(C)(C)C)CNS(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2255753237 ONRPVGMWEFHEAG-HNNXBMFYSA-N 454.398 2.425 30 10 JEEE CC(C)(C)OC(=O)N[C@@]1(CNC(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)CCOC1 2255808229 GRPULIQDXINUOM-OAQYLSRUSA-N 452.382 2.461 30 10 JEEE CC(C)(C)OC(=O)NCC[S@](C)(=O)=NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2255948769 PNLIGDRALHMGBS-PMERELPUSA-N 494.466 2.359 30 10 JEEE C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)n1 2256621818 ZJBPWHFNERTYPH-FZMZJTMJSA-N 455.748 2.247 30 10 JEEE CC1(C)OB(c2nscc2C(=O)NCC2(O)CCN(Cc3ccccc3)CC2)OC1(C)C 2267160091 NYSJZEFINTYKKK-UHFFFAOYSA-N 457.405 2.199 30 10 JEEE CN([C@@H]1CC[C@@H]1OCc1ccccc1)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2267368780 NXBQOWLHZBIIEI-MSOLQXFVSA-N 461.393 2.088 30 10 JEEE Cc1cc(C(=O)N2C[C@@H](O)C[C@@H](NC(=O)OC(C)(C)C)C2)sc1B1OC(C)(C)C(C)(C)O1 2267605582 WDCILOCIKQXACH-CABCVRRESA-N 466.409 2.456 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)(C(F)(F)F)C1 2281988506 NPRBMDSYYUWODN-IBGZPJMESA-N 474.289 2.381 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1C[C@](F)(CNC(=O)OC(C)(C)C)C1 2282000257 MKZAXEBJDCLIAG-XLOAEROZSA-N 466.363 2.153 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@H](CCNC(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282180342 RQDGIDVCMGSFRN-GOSISDBHSA-N 461.368 2.137 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CCCO1 2282181935 MSMYIPOFZYJGCS-QGZVFWFLSA-N 463.384 2.080 30 10 JEEE CCC(CC)(CNC(=O)OC(C)(C)C)NS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282494004 WYWJUUKCCZUCPL-UHFFFAOYSA-N 486.444 2.081 30 10 JEEE CC(C)[C@@H](CN(C)Cc1ccccc1)NS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282496087 VTVCJESIUUUVLZ-HXUWFJFHSA-N 476.452 2.154 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@@H]2[C@H](NS(=O)(=O)Cc3ncsc3B3OC(C)(C)C(C)(C)O3)[C@@H]21 2282503563 BVOLHQXXHAVWDS-VNQPRFMTSA-N 499.464 2.260 30 10 JEEE CC[C@H]1CN(C(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)CC[C@@H]1NC(=O)OC(C)(C)C 2282550540 AACDWYSLJKPUEB-HOTGVXAUSA-N 462.400 2.485 30 10 JEEE Cn1ncc(C(=O)N2CCC(F)(CNC(=O)OC(C)(C)C)CC2)c1B1OC(C)(C)C(C)(C)O1 2282572461 LTVGMODNNCELAX-UHFFFAOYSA-N 466.363 2.188 30 10 JEEE Cn1cc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)[C@H]3CCC[C@@H]23)c(B2OC(C)(C)C(C)(C)O2)n1 2282575745 HSLMPQVMNPRFSN-UAGQMJEPSA-N 460.384 2.237 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C(F)(F)C1 2282700748 SKZWYFOSFGDLCJ-AWEZNQCLSA-N 468.310 2.150 30 10 JEEE CC1(C)OB(c2cscc2S(=O)(=O)N[C@]2(C(=O)O)CCN(Cc3ccccc3)C2)OC1(C)C 2284402799 PHQCOOZNTQQFBO-JOCHJYFZSA-N 492.428 2.055 30 10 JEEE COc1ccc([C@@H]2C(=C(O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN(C)C)c(OC)c1 2296082484 GUHJFBIPZBKNSR-JOCHJYFZSA-N 468.506 2.458 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@H]2NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2312857507 IDPRAVWJPSOCHN-NOLJZWGESA-N 470.422 2.333 30 10 JEEE Cc1c(C=C2SC(=S)N(CCCCCC(=O)O)C2=O)c(N2CCOCC2)n(C)c(=O)c1C#N 2314457584 QJBKVTRQEYUIET-UHFFFAOYSA-N 490.607 2.248 30 10 JEEE CCCCCCCCCCCCCC=C[C@H](O)[C@H](CO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)N(C)C 2333278378 SJWBHOQBARABKH-SXBFFNLXSA-N 489.694 2.351 30 10 JEEE CN(C(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1)[C@@]1(CNC(=O)OC(C)(C)C)CCOC1 2337406063 BJKGCDFPLFJIHA-OAQYLSRUSA-N 467.397 2.198 30 10 JEEE Cn1cc(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 2359278049 RJEFNJPCISPXEQ-UXLLHSPISA-N 460.384 2.237 30 10 JEEE Cc1cc(CNC(=O)[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)cc(B2OC(C)(C)C(C)(C)O2)c1 2369686059 QCIORROXNODHPJ-XMMPIXPASA-N 460.380 2.282 30 10 JEEE C=CCn1c(C)cc(C(=O)COC(=O)C2CCN(S(=O)(=O)c3c(C)n[nH]c3C)CC2)c1C 20959783 SIYVHUBQEMJBJM-UHFFFAOYSA-N 462.572 2.458 30 10 JEEE CO/N=[N+](\[O-])CC(=O)N1CCCN(S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1ccc(OC)cc1 103937021 IVTOHNACDZWRRZ-ONAIBIAESA-N 462.528 2.449 30 10 JEEE CN1C(=O)CCc2cc(NC(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)ccc21 609210927 UQMIBLPZIVOBDF-UHFFFAOYSA-N 453.524 2.006 30 10 JEEE CC#CC[C@H](NC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)OCC)C(=O)O 757199935 KUQPYWRMODTDGN-FCHUYYIVSA-N 478.501 2.440 30 10 JEEE CCOc1ccc(C=c2c(=O)oc3n2-c2oc(N)nc2[C@H](c2ccc(OCC)cc2)C=3C#N)cc1 1084131164 FFZYCMBHFOEUIU-OAQYLSRUSA-N 470.485 2.447 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1CNC(=O)CSCC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 1128433869 YZDWWSLJYGYEPF-VGOFRKELSA-N 458.584 2.254 30 10 JEEE C#CCC1(O)CCN(C(=O)c2ccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)cc2)CC1 1153263018 WLSFRHXDRYVEQS-UHFFFAOYSA-N 456.520 2.249 30 10 JEEE C#CCN(C)c1nnc(CSc2ccccc2OC)n1CCS(=O)(=O)N1CCSCC1 1286380591 KJUYBWMKUFNYCF-UHFFFAOYSA-N 481.669 2.027 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1C[C@@H](CCC)OC)[C@@H]1CCS(=O)(=O)C1 1286380817 DNPQEWDGTKFKJU-IAGOWNOFSA-N 498.447 2.488 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Cl)n1CC(C)(C)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1286386644 FHHQQIXIMLYEJE-GOSISDBHSA-N 492.045 2.336 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@H]1CCCS1)[C@@H]1CCS(=O)(=O)C1 1286391973 KJNWPRYHRSQUSE-IAGOWNOFSA-N 451.643 2.156 30 10 JEEE C#CCN(c1nnc(COc2ccccc2OC)n1CC(=C)Cl)[C@@H]1CCS(=O)(=O)C1 1286395799 OCWFGYSEUSHZHP-MRXNPFEDSA-N 450.948 2.245 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H](C)CN1CCOCC1 1286413325 IPZAQWCKTUUHES-YADHBBJMSA-N 484.645 2.434 30 10 JEEE C#CCN(CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@H]1CCCN(C(C)=O)C1 1286450363 QDCUXOYFTHNEDK-DEOSSOPVSA-N 477.657 2.361 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2C[C@H](C)CN2CCN(CC)CC2)CC1 1286490480 LYQRQVDCZSKUFK-OAQYLSRUSA-N 469.678 2.175 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2Cc2ncnn2C(C)(C)C)CC1 1286491581 YILYMHHJQURTNE-UHFFFAOYSA-N 490.612 2.238 30 10 JEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(-c3nc[nH]n3)cc2)CC1 1286652040 ROXNRAPYAWYYAE-OAHLLOKOSA-N 456.576 2.124 30 10 JEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1nc(O)c2sccc2n1 1286712206 UJIUGOYZWWQLHL-CQSZACIVSA-N 478.600 2.120 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1286779841 NOJANJRYNVQYCM-GOSISDBHSA-N 473.484 2.160 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1286781185 VWNVWDITPUOUHM-UYAOXDASSA-N 499.591 2.442 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(C(N)=O)nc2)C1 1286812179 KALQPAHLFIOUQL-HXUWFJFHSA-N 459.510 2.052 30 10 JEEE C=CCSCCn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1286832726 NSDOMVRHXZSMGZ-RTBURBONSA-N 485.676 2.070 30 10 JEEE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C(C)C)N2CCOCC2)C1 1286844374 FUBQDVCOPXNFPN-LADGPHEKSA-N 479.629 2.478 30 10 JEEE C[C@H](Oc1ccccc1F)c1nnc(N(C)[C@H](C)CC#N)n1CCN1CCCS1(=O)=O 1288948306 FHSKSTUZRVCYGW-CVEARBPZSA-N 450.540 2.331 30 10 JEEE C#CCCCCn1c(N2CC[C@@]3(CCS(=O)(=O)C3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1300377590 WPERUPCRRYNOFP-FGZHOGPDSA-N 450.605 2.137 30 10 JEEE C#CCCCn1c(-c2ccccc2F)nnc1N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 1300401055 LXDNXSUHEIVQMI-GOSISDBHSA-N 463.579 2.374 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2c(CC)noc2C)CC1 1300716166 JUGDWNHSEBPBAG-RUZDIDTESA-N 484.601 2.192 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCSC(C)C)CC1 1300719311 WBORADWXJSSMPY-UHFFFAOYSA-N 479.614 2.028 30 10 JEEE C#CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@](F)(C#N)C1 1300762073 GXDWGBKKZRMYGI-KKSFZXQISA-N 464.567 2.395 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)N1CCc2ccccc21 1300780886 YSYKCGHKNVRAGH-PMAPCBKXSA-N 456.616 2.332 30 10 JEEE COCC1(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC[C@](C)(C#N)C2)CCOCC1 1301123283 CJDDXBSIWDWQTI-JOCHJYFZSA-N 453.547 2.499 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@](C)(O)CCC(C)C)CC1 1301123612 COEVUTPYEMSXOF-UGKGYDQZSA-N 469.652 2.201 30 10 JEEE CC(C)C(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCC(O)CC2)CC1 1302420061 CQSUDDMPRQUHIF-UHFFFAOYSA-N 479.629 2.405 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCC1(C)CC1 1303860991 CUONHVVSSMMCSJ-KRWDZBQOSA-N 457.604 2.277 30 10 JEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2ccc(OC)c(Br)n2)c1 1356458569 XQKCQHLXXXGAPI-UHFFFAOYSA-N 458.312 2.340 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCO[C@H]1CCOC1 1358885188 FITWLRUYLWGMRF-MSOLQXFVSA-N 450.543 2.328 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1CC1([S@@](C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1358956558 HRWJWNUWBPRXRI-CXYMVJPKSA-N 494.614 2.095 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1C[C@]1(OC)CCOC1)[C@H]1CCS(=O)(=O)C1 1358958640 SNVFBZOQWFGPNZ-HRAATJIYSA-N 482.965 2.170 30 10 JEEE C#CCN(c1nnc(C2CCCC2)n1CCNC(=O)c1ccccc1F)[C@H]1CCS(=O)(=O)C1 1358961557 BAUWMPGOXHJLIY-SFHVURJKSA-N 473.574 2.132 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)c1ccc(C)cc1 1358994855 XQSFMUQJMYZSRC-UNMCSNQZSA-N 469.611 2.186 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1C[C@H]1CN(Cc2ccccc2)CCCO1 1359024080 DXZGKGZIURKJCD-DHIUTWEWSA-N 453.587 2.159 30 10 JEEE C=C(C)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1359119959 XXVVITBANWZWPX-INIZCTEOSA-N 450.337 2.244 30 10 JEEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)CC2CCCCC2)CC1 1359226581 ILMSIEGQYBMYON-HXUWFJFHSA-N 458.607 2.441 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1359295237 VIYGEZFIWHXKEM-YKSBVNFPSA-N 493.656 2.189 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCC2(CC1)CNC(=O)C2 1359296280 DGSDSPPAUQWWLU-UHFFFAOYSA-N 482.585 2.151 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1359296568 NEMPZVMUFQJPIZ-IQGLISFBSA-N 485.585 2.429 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(C2CCC2)CC1 1359300209 WKCXFXCXWCFDOO-LJQANCHMSA-N 487.649 2.369 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCC2=CCCCC2)C1 1359321857 MUYDIQFXIXDKTD-UXHICEINSA-N 465.620 2.283 30 10 JEEE CC(=O)N1CC[C@@H](CN(C)c2nnc(Cc3ccccc3C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1359361514 DZQWOGWHFCSEIF-NJGFXUCASA-N 491.596 2.008 30 10 JEEE CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2CCS(=O)(=O)CC2)C[C@H]1C 1502330815 CMIZMPCWDPWMDH-GOSISDBHSA-N 472.615 2.084 30 10 JEEE CCNC(=O)C(C)(C)Cn1c(C2CCC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1502381234 FZHWELPTRHXXHE-MRXNPFEDSA-N 451.579 2.085 30 10 JEEE CCS(=O)(=O)N(C)CCCn1c(C2CC2)nnc1N1CCCN(c2ccccc2C#N)CC1 1503269192 CFHNJSIMRCZILS-UHFFFAOYSA-N 471.631 2.415 30 10 JEEE CN(C)c1cccnc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(S(C)(=O)=O)CC1 1503395547 ICPRESGJIYBFSI-UHFFFAOYSA-N 465.583 2.339 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2CC(=O)NCc2ccco2)c1 1507550380 YSFZHCLDIMFFLD-UHFFFAOYSA-N 469.505 2.306 30 10 JEEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1507576875 NOWDYABZEBVNIU-UHFFFAOYSA-N 462.396 2.096 30 10 JEEE C#CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC(CNC(C)=O)CC1 1507578951 GWDSSENGWLAZDU-UHFFFAOYSA-N 471.631 2.313 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCCN(C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1507633867 KERWKZPXPFZKNG-OAQYLSRUSA-N 461.607 2.365 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CCC1(COC)CCCC1)[C@@H]1CCS(=O)(=O)C1 1507635511 SRXSRZSRDVFKQC-OAQYLSRUSA-N 471.627 2.488 30 10 JEEE C#CCN(c1nnc(CCCc2ccccc2)n1C[C@@H]1CCOC[C@H]1OC)[C@@H]1CCS(=O)(=O)C1 1507640433 SKXBMAKBCZVLAH-YTFSRNRJSA-N 486.638 2.132 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@]1(O)CCO[C@@H]1C 1507650708 QVABWGJRNPWMLN-KHCICDEESA-N 457.575 2.005 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccc(C)c(OC)c2)CC1 1507736514 QPBRJYBIWRCOHE-SANMLTNESA-N 481.597 2.261 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC([C@@H]2CCCO2)CC1 1507809555 XAMKHKWRVVJCRU-RNQOJCNYSA-N 467.636 2.265 30 10 JEEE C=C(C)Cn1c(-c2ccc(Br)cc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1507827153 WIOHXURGRUWZJC-UHFFFAOYSA-N 489.418 2.265 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1508073841 PPAKCDGHBHWNDE-VFCRVFHLSA-N 493.406 2.121 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C)[C@@H]1C 1508104282 LMNVWGMPTSHPHY-LQWHRVPQSA-N 475.615 2.459 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)Nc3c(N(C)C)cccc3S(=O)(=O)N(C)C)cc2C1=O 1525379055 RWDYNSLEJUPSEB-UHFFFAOYSA-N 456.524 2.037 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCCN1CCN(CC)CC1 1539001768 JKRJYPWMCRYREJ-FQEVSTJZSA-N 486.690 2.114 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@@]2(O)CCC[C@@H]2C)c1 1539038530 RDJSAOQTCIUSHH-BVZFJXPGSA-N 464.570 2.121 30 10 JEEE C#CCCCCn1c(-c2ccc3ccccc3n2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1539058899 JXRVYWSKKKBYNC-UHFFFAOYSA-N 473.581 2.470 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1CC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1539204138 ZCJHKCMXMDVYJZ-ZWKOTPCHSA-N 476.599 2.214 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1CCc1cn[nH]c1)[C@H]1CCS(=O)(=O)C1 1539206372 OFUXZYXZAXFCJS-WMZOPIPTSA-N 472.546 2.150 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1cccc(NC(=O)CC(C)C)c1)[C@@H]1CCS(=O)(=O)C1 1539221881 RWEMCZAOSYKYSB-RBBKRZOGSA-N 499.637 2.442 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc(C#N)cc3)n2Cc2ccn(C)n2)n1 1539424957 ZUEAUKQQRPAPDY-UHFFFAOYSA-N 455.526 2.081 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CCCC2)CC1 1539469713 DJBUWALWWHRUGN-UHFFFAOYSA-N 494.621 2.140 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@]2(O)CCO[C@H]2C)CC1 1539470411 ORWGCBKBXJLDBR-AVRWGWEMSA-N 451.571 2.013 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCN1CCCS1(=O)=O 1539570539 XOGXASZFCKDHBU-FDDCHVKYSA-N 492.646 2.378 30 10 JEEE C=C(Br)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC(CC(=O)NC)CC1 1539573741 CMLKGZNOQVSWAS-UHFFFAOYSA-N 455.401 2.458 30 10 JEEE C=CCN(CCOC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1Cc1ncn(C)n1 1540201663 XYTMYNIQSSNTJH-UHFFFAOYSA-N 460.583 2.208 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCN2C(=O)CC[C@H]2C1 1540862661 GOVJIHDJNOCRMN-WBVHZDCISA-N 458.950 2.185 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)NC(CC)CC)nnc2N2CCc3nn(C)c(=O)cc3C2)cc1 1540877349 RXHCUDWNMWVVJW-UHFFFAOYSA-N 491.596 2.466 30 10 JEEE CC(C)(C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ncc(F)cn2)CC1 1541195884 GVKHSVPKGINCJD-UHFFFAOYSA-N 477.548 2.377 30 10 JEEE COCC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](F)C2)CC1 1555204438 DJSZJKHEMIPIBA-MOPGFXCFSA-N 456.522 2.162 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2CCCN2C[C@@H](C)O[C@H](C)C2)c1 1587693326 RHCCQJQTUYIMLB-KCZVDYSFSA-N 480.613 2.338 30 10 JEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 1587707111 WNWTZSNPICENKK-IXDOHACOSA-N 468.624 2.041 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H](CC)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1588034540 IIBLBFLFJQIELK-CTNGQTDRSA-N 486.598 2.354 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(C)cc1F)[C@@H]1CCS(=O)(=O)C1 1588073695 BQIVNBMAAXJVSQ-ZVDOUQERSA-N 476.574 2.125 30 10 JEEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1C[C@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1588090651 ZZBJAYIIQHNYDW-JYEBCORGSA-N 499.612 2.027 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCc1n[nH]c(C)n1 1588637273 CJIIEPTYOTXCTL-GOSISDBHSA-N 472.594 2.148 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2Cc2nnc(C)s2)CC1 1588733255 PSFALJLBFLADEB-UHFFFAOYSA-N 450.572 2.111 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](OC)c2ccc(F)cc2)CC1 1588877099 VEOBSLNWWRINAE-OAQYLSRUSA-N 482.560 2.007 30 10 JEEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](O)CC2(CCCC2)C1 1589404776 LXAMBRQANQSLFG-LSDHHAIUSA-N 459.410 2.220 30 10 JEEE C=C(C)COCCn1c(Cc2ccccc2F)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1593752629 NZQBKGOVUJJDIL-UHFFFAOYSA-N 465.595 2.461 30 10 JEEE C=C(C)COCCn1c(N2CCN(C(=O)NC(C)(C)C)CC2)nnc1[C@]1(OCC)CCOC1 1593770141 XETIFAGQZKNAFC-QHCPKHFHSA-N 464.611 2.153 30 10 JEEE C=C(Cn1c(N2CCN(C(=O)NC)CC2)nnc1[C@]1(OC(C)C)CCOC1)c1ccccc1 1593796124 IFJNWFGWFLCQEV-DEOSSOPVSA-N 454.575 2.494 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1CCN(c2ccncc2)CC1 1595302972 ITKXBLDPRUBYMA-FQEVSTJZSA-N 474.631 2.131 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1595477474 VMWNJCUORIEWAV-CTNGQTDRSA-N 485.608 2.076 30 10 JEEE Cc1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)n(C)n1 1612469205 BASRFXZNXPZJKS-IRXDYDNUSA-N 471.587 2.077 30 10 JEEE CN(C)C(=O)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(Cc2cscn2)CC1 1617592742 ALMQMIQDXNMWAT-UHFFFAOYSA-N 494.625 2.376 30 10 JEEE CN(C[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@](C)(O)c2ccco2)C1)S(C)(=O)=O 1618101601 GRKKGCMOFMVMSO-DVECYGJZSA-N 498.609 2.425 30 10 JEEE C#CCn1ccc(CN(CCOC)C(=O)c2cc(NS(C)(=O)=O)cc(C(F)(F)F)c2)n1 1618758568 HKYIJFRYGPEEIP-UHFFFAOYSA-N 458.462 2.195 30 10 JEEE C[C@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)Cc1ccc(F)cc1Br 1668035846 ICRWSKVTVRLCLL-LBPRGKRZSA-N 454.325 2.290 30 10 JEEE C#CCN(C)CCCNC(=O)N1CCN(C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)CC1 1686633780 ANEMIWMPFNWZSW-UHFFFAOYSA-N 453.584 2.356 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1(COC)CCOCC1 1689831289 IOIQVSFNVUXPGI-QGZVFWFLSA-N 474.631 2.448 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCN1CCOC(C)(C)C1 1689847600 CQUGAPZRBWBYHF-GOSISDBHSA-N 463.586 2.244 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccc2[nH]c(C)c(C)c2c1)[C@H]1CCS(=O)(=O)C1 1689977872 FXBKOZSORYGFTK-IBGZPJMESA-N 482.610 2.189 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1ccc(OC(C)C)nc1)[C@@H]1CCS(=O)(=O)C1 1689985990 GPOXOMKSFFYXSZ-GOSISDBHSA-N 454.556 2.130 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCOc1c(C)cccc1C)[C@@H]1CCS(=O)(=O)C1 1689989610 HGTBVJVIBBDFKO-NHCUHLMSSA-N 472.611 2.495 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1Cc1ccc(I)cc1 1690100935 IKWCPOYRHJEZJF-UHFFFAOYSA-N 474.306 2.474 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2Cc2ccc(N(C)C)nc2)CC1 1690133943 ZLMMVHBRKGGNFD-UHFFFAOYSA-N 461.570 2.130 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CC[C@H](OC)C(F)(F)F)CC1 1690148572 LGRLMYYZHZDMGD-SFHVURJKSA-N 464.492 2.197 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1ccccc1 1690206459 RSCJUHSRCBXHKL-NFBKMPQASA-N 457.600 2.236 30 10 JEEE C=CCCOCCn1c(-c2ccccc2Br)nnc1N1CCN(S(C)(=O)=O)CC1 1690503794 OOGWMQVOQGZFRQ-UHFFFAOYSA-N 484.420 2.382 30 10 JEEE C=CCNC(=O)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CC(=O)N(C)C[C@@H]1C 1690660331 FDJYODKXCSJARS-HNNXBMFYSA-N 465.583 2.346 30 10 JEEE CCN(C1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cc(C)on2)CC1)S(C)(=O)=O 1695570631 DWSZGUBIWQWPGN-UHFFFAOYSA-N 469.571 2.412 30 10 JEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(=O)CCc2ccccc2)CC1 1705532031 DNSNHIYOMCFHGV-JOCHJYFZSA-N 483.638 2.265 30 10 JEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc(C(=O)NCC)cc1 1705550646 QFIHBCNTCPTRIQ-UHFFFAOYSA-N 465.583 2.106 30 10 JEEE C#CCN(c1nnc(-c2ccccc2F)n1Cc1nccc(C(F)F)n1)[C@H]1CCS(=O)(=O)C1 1705564564 PEUSFKLPEUOBCS-AWEZNQCLSA-N 476.484 2.487 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1CC[C@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1705569172 CYYLVWHRJHFVDD-RTBURBONSA-N 463.629 2.220 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CCCN2CCN(c3ccncc3)CC2)CC1 1705644307 LUBLDLSZZCCHRV-UHFFFAOYSA-N 492.672 2.149 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(OC)CCCCC1 1705717910 VEIMIACZSBTCCN-SFHVURJKSA-N 455.625 2.363 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@H]1COCCO1 1705857043 OASYHZPLINPPTF-CTNGQTDRSA-N 476.599 2.187 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCc2c(ccnc2O)C1 1705894964 PFWFGQTVJUVNQN-UHFFFAOYSA-N 461.526 2.113 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCN(c2cnn(C)c2)CC1 1705898674 SYUZELBJVOOXFI-UHFFFAOYSA-N 494.600 2.103 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCN(C)CC(F)(F)F)C1 1705920712 CXSQOJCLOXNLEI-SFHVURJKSA-N 477.495 2.196 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H](F)COC)C1 1705924687 FSVLGRFSOFIJRP-KSZLIROESA-N 469.558 2.352 30 10 JEEE C=CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1705941561 NUVALAGTDSXZRD-MRXNPFEDSA-N 465.601 2.111 30 10 JEEE CC(C)N(C)CCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@@](F)(C#N)C1 1706549801 BXXYPHKESMRMGR-OAQYLSRUSA-N 462.599 2.410 30 10 JEEE CCS(=O)(=O)N(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1710884618 DWZUHEIYSCUYLX-SFTDATJTSA-N 472.615 2.351 30 10 JEEE CN(Cc1cccc(C#N)c1)c1nnc(-c2cccn2C)n1C[C@H]1CCCN1S(C)(=O)=O 1711085378 FINNSLVBYJFLPV-LJQANCHMSA-N 453.572 2.216 30 10 JEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 1722307759 AQBWXEGFLPZSOR-MOPGFXCFSA-N 487.630 2.250 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@@H]1CCC[C@H]1OC)[C@H]1CCS(=O)(=O)C1 1722363491 ULOUPURAWSMKMW-CMKODMSKSA-N 458.584 2.396 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCS(=O)(=O)C(C)(C)C 1722369892 BYNSIEUVDIHXBR-UHFFFAOYSA-N 476.002 2.148 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3CC)n2CCC(=O)NC(C)(C)C)CC1 1722440556 AUQUZFFMCSVNEO-UHFFFAOYSA-N 452.603 2.480 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CC(C)(C)N2C[C@@H](C)C[C@H](C)C2)CC1 1722446126 NYSJLWAVXVWNCI-PMACEKPBSA-N 480.661 2.401 30 10 JEEE C#CCSCCn1c(Cc2c[nH]c3ccccc23)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1722463219 WBKQWYVLSDVXBV-IBGZPJMESA-N 467.620 2.343 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2cc(Br)c[nH]2)n1CCC[C@@H]1NC(=O)NC1=O 1722503575 BDTIJTQJRIBRLM-ZDUSSCGKSA-N 450.341 2.426 30 10 JEEE C=C(C)Cn1c(N2CCN(CC(=O)NC3CCCCC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1722526193 RKVNVKUJVXWFHA-VWLOTQADSA-N 474.650 2.466 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCS(=O)(=O)Cc2ccccc2)CC1 1722581669 KNPQIXIAEBYDBX-FQEVSTJZSA-N 478.640 2.198 30 10 JEEE C=CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C)C(=O)[C@H]1C 1722597658 PPHLZKWGUTYYNP-QGZVFWFLSA-N 460.604 2.219 30 10 JEEE C=CCCOCCn1c(Cc2ccc(F)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1722630100 VNMNQWJOVFPUJV-LJQANCHMSA-N 456.522 2.073 30 10 JEEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1722682830 MBMWOCHQGVRQRP-HOTGVXAUSA-N 456.613 2.158 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1722688573 GHTHNKOUMQKARV-VFNWGFHPSA-N 493.406 2.123 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 1722691217 PAQBNSQTRZBKIE-HNAYVOBHSA-N 472.977 2.167 30 10 JEEE CC(C)(C)Cc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CC(=O)N1CCOCC1 1722948350 BUVZHONXJPKXMN-UHFFFAOYSA-N 469.565 2.063 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CCN1CCCCCC1)[C@H]1CCS(=O)(=O)C1 1740627347 GONRGAFREZSMFW-NRFANRHFSA-N 489.617 2.499 30 10 JEEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(N2CCOCC2)c(F)c1 1740660610 XQORNJHDQNILDM-UHFFFAOYSA-N 463.517 2.409 30 10 JEEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(C)cc1N1CCOCC1 1740687593 CLNQPUODYAUZJT-UHFFFAOYSA-N 477.613 2.419 30 10 JEEE C#CCN1CCN(c2nnc([C@H](CC)c3ccccc3)n2CCS(=O)(=O)CC2CC2)CC1 1740689940 FJZCUZSBLWAAHJ-JOCHJYFZSA-N 455.628 2.400 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1COCC 1740732009 OSNBIIBRVSEZJB-XUZZJYLKSA-N 487.626 2.188 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1C[C@@H](C)N1CCN(CC)CC1 1740733918 OPLBVIIXKMJYII-NTKDMRAZSA-N 469.659 2.288 30 10 JEEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(N2CCCC2=O)CC1 1740786390 BLXLIZFRMUVUHX-UHFFFAOYSA-N 453.547 2.109 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[C@H](C)N2CCCCC2)CC1 1740824939 GFNBEPSNPXGPQE-PMACEKPBSA-N 466.652 2.032 30 10 JEEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1740845172 HJQUFAHPMPRZEJ-OAHLLOKOSA-N 460.941 2.487 30 10 JEEE C=CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(C(=O)NCC)CC1 1740874660 FSGOJYSXKRLHKY-UHFFFAOYSA-N 450.547 2.010 30 10 JEEE C=CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1740877381 XXXFJWQJEVHUTF-DLBZAZTESA-N 471.624 2.422 30 10 JEEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C)C2(CCC2)C1 1740887455 IAQKIBCLFLIEDF-RBUKOAKNSA-N 467.636 2.220 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 1740961424 BJZSUBJEYKBGOG-QGZVFWFLSA-N 468.583 2.167 30 10 JEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F 1741001694 BCBZNSBUNDVGTF-CYBMUJFWSA-N 478.566 2.488 30 10 JEEE C[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N(C)C[C@@H]1CCCOC1)N1CCOCC1 1741862049 BWDXGFOZCONPNO-FPOVZHCZSA-N 454.575 2.312 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCS(=O)(=O)CC=C 1748670875 DEKNHXQXJUHBJL-KRWDZBQOSA-N 465.620 2.451 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCc1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 1748802058 KMQMJOIJCKGFFM-SFHVURJKSA-N 498.996 2.448 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CC(=O)NCc1ccco1)[C@H]1CCS(=O)(=O)C1 1748810026 ZCXFYXZCWBAGLT-SFHVURJKSA-N 487.969 2.135 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1Cc1ccccc1COCC)[C@@H]1CCS(=O)(=O)C1 1748811621 JDUFPWUXIBDRDP-OAQYLSRUSA-N 467.595 2.495 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1Cc1cccnc1OC)[C@H]1CCS(=O)(=O)C1 1748819193 MBMUOGPGKDQNAZ-SFHVURJKSA-N 457.581 2.009 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](C)COCc2ccccc2)CC1 1749008908 CSSNMXNSHRZUNV-SIKLNZKXSA-N 478.597 2.048 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(CCSC2)C1 1749118627 HPWOFIKWFQSIPF-PFRQMTDMSA-N 455.650 2.203 30 10 JEEE C=CC1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCOCCS(C)(=O)=O)CC1 1749335075 NKLSEGKGGVGUFX-UHFFFAOYSA-N 462.572 2.180 30 10 JEEE C=CCC(C)(C)Cn1c(N2CCN3C(=O)N(CC)C(=O)[C@H]3C2)nnc1[C@@]1(OCC)CCOC1 1749376911 IWIZBHBUUMNKOY-UZUQRXQVSA-N 460.579 2.005 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC(F)(F)CO1 1749537502 ISVOKPBYFFCZGB-MOPGFXCFSA-N 497.568 2.228 30 10 JEEE C=CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1749606331 UGYDDRSIQKGVGP-XLIONFOSSA-N 479.578 2.374 30 10 JEEE C=CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1749606479 ZJJSYRNZMHRNOS-QGZVFWFLSA-N 456.522 2.014 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1749660511 RUYFHTCNQVQRIB-GOSISDBHSA-N 485.585 2.429 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 1749676254 JWYCKICBHOACSB-FQEVSTJZSA-N 452.481 2.096 30 10 JEEE C#CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1760149008 SSCUXMUGMFLVKH-UHFFFAOYSA-N 461.588 2.236 30 10 JEEE C#CCCCn1c(N2CCC(N3CCN(CC)C3=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1760159573 KSCXZLBPJHQUOL-DEOSSOPVSA-N 458.607 2.458 30 10 JEEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CCc1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 1760180495 GKKFONJGXXFBKR-NZQKXSOJSA-N 493.029 2.453 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2COc3ccccc3O2)n1CCCCCS(C)(=O)=O 1760220108 WOCAIEAIIRUWGM-NRFANRHFSA-N 456.568 2.468 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCO[C@@H]1CCOC1 1760232659 JWMNNBDMAZCMIF-GOSISDBHSA-N 450.543 2.330 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCN1CCOC(C)(C)C1 1760247849 RQCWSAYVXPBHAH-UHFFFAOYSA-N 463.586 2.328 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC(C)(C)N2CCOCC2)CC1 1760253048 AGFKHZGFIYDCRO-HXUWFJFHSA-N 470.593 2.423 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2cc(F)ccc2OC)CC1 1760255869 BHXCCJYQFDPQJI-DEOSSOPVSA-N 457.550 2.270 30 10 JEEE C=C(Br)Cn1c(-c2cnccn2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1760305383 CMTLBBWINCFYTN-UHFFFAOYSA-N 469.347 2.069 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)COC)CC1 1760325552 QRUDHQFUWXNNFK-XXBNENTESA-N 457.550 2.284 30 10 JEEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cc(F)cc(F)c2)CC1 1760352427 QZTOUBQFYCSWBP-MRXNPFEDSA-N 484.573 2.086 30 10 JEEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1760428396 VHDCLFJOKOHPFA-RTBURBONSA-N 451.637 2.226 30 10 JEEE CC(C)(C)C(=O)NCCn1c(-c2cnccn2)nnc1N1CCCN(c2ccccc2C#N)CC1 1760712484 BLKFZNMUKBDGRS-UHFFFAOYSA-N 473.585 2.486 30 10 JEEE CC(C)N(C)C(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCO[C@H]2C)CC1 1761158864 ALZSCUIZLCQAGI-SIBVEZHUSA-N 496.612 2.352 30 10 JEEE CCC(CC)(Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1)SC 1762138328 BOFAHLXABHWCBB-QGZVFWFLSA-N 470.665 2.273 30 10 JEEE CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2CCOCC2)CC1 1763948529 AKBSSEJKVPZXLF-IBGZPJMESA-N 465.602 2.280 30 10 JEEE N#C[C@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCN2CCCCCC2)CCO1 1771535885 BWFYJUUDGAKUAV-FQEVSTJZSA-N 471.993 2.466 30 10 JEEE CCCCCCCCNC(=O)[C@H](C)NC(=O)CNC(=O)c1cc(OC)c(OC)c(OC)c1 1861495337 AEFINQJVYLGZIP-INIZCTEOSA-N 451.564 2.424 30 10 JEEE COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2C[C@H](C)O)cc(OC)c1OC 1862635757 RLAUXAHGIWMKTL-YUNKPMOVSA-N 471.462 2.400 30 10 JEEE COc1cc(C(=O)NCC(=O)Nc2c(C#N)c(-c3ccccc3F)nn2C)cc(OC)c1OC 1865873096 PHCKZBZRVIBULP-UHFFFAOYSA-N 467.457 2.492 30 10 JEEE CN(CCO)Cc1cc(=O)c(OCC(=O)Nc2sc3c(c2C#N)CCC3)cn1Cc1ccco1 1870324410 JNQLIALFFUBZHD-UHFFFAOYSA-N 482.562 2.353 30 10 JEEE C=CCOc1cn(CCCN2CCOCC2)c(CN2CCN(c3ccccc3)CC2)cc1=O 1870385208 NLMPFIXYODOPGB-UHFFFAOYSA-N 452.599 2.458 30 10 JEEE C=CCOc1ccccc1OCC(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)CC1 1873780875 FNORVGZUXVRSDX-LJQANCHMSA-N 481.524 2.493 30 10 JEEE CN1CCN(CC#CCOC2CCN(C(=O)c3cccc(Br)c3F)CC2)CC1 1890042291 WNKGRUHZOZJHOX-UHFFFAOYSA-N 452.368 2.460 30 10 JEEE CN1CCN(CC#CCOC2CCN(C(=O)c3cc(F)c(Br)cc3[N+](=O)[O-])CC2)CC1 1891289944 QHZCUSKYKWEMRZ-UHFFFAOYSA-N 497.365 2.368 30 10 JEEE C#CCO[C@H]1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(Oc3ccccc3OC)cc2)C1 1892109125 ZRTMYSYCWPKFBC-MJGOQNOKSA-N 458.536 2.405 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](O)C[C@H]1C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2185152255 VIEVQRZDZRGQPZ-MOPGFXCFSA-N 460.380 2.362 30 10 JEEE CC(C)(C)OC(=O)N1CC(CNS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2255949081 SPDZXHCZUYZTKJ-UHFFFAOYSA-N 452.382 2.131 30 10 JEEE CSC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)c(C)n1 2256600727 LCLMTBYPQHAZCE-AWEZNQCLSA-N 452.386 2.279 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCO[C@H]1C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)s1 2256626862 OVQGXJHIDAPJMR-GOEBONIOSA-N 452.382 2.346 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)[C@](C)(CO)C1 2267136054 CTCVHWFJFDZSCV-QFIPXVFZSA-N 466.409 2.491 30 10 JEEE C[C@H]1CC[C@H](CNC(=O)C(F)(F)F)N(C(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)C1 2267489513 WTEZSTPKBLMFCE-NWDGAFQWSA-N 461.315 2.362 30 10 JEEE CC[C@@H](CN(C)C(=O)c1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C)NC(=O)OC(C)(C)C 2267499659 WXKDZFYAPNBYML-HNNXBMFYSA-N 450.389 2.403 30 10 JEEE C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)ccc1F 2268637159 KDGQHVRXKMVBFZ-CXAGYDPISA-N 452.332 2.015 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@@](C)(NC(=O)C(F)(F)F)C2)c1 2281817598 ONWVNUDQEZTLSK-HXUWFJFHSA-N 456.270 2.278 30 10 JEEE Cc1nn(C)c(C(=O)N2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)c1B1OC(C)(C)C(C)(C)O1 2281983075 RHGJGKLGXZSYQJ-HOTGVXAUSA-N 460.384 2.109 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@](O)(CCNC(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282186972 BZOAZRBGFYYMSW-DEOSSOPVSA-N 460.380 2.478 30 10 JEEE C[C@H]1CN(C(=O)OC(C)(C)C)CCCN1S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282349013 SPKPCEAHPQPWHK-INIZCTEOSA-N 481.424 2.401 30 10 JEEE CCc1nc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2OC)c(B2OC(C)(C)C(C)(C)O2)s1 2282513816 VFVRBUUYBSUWNU-KBPBESRZSA-N 481.424 2.369 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H]2OCCN(C(=O)c3nscc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2282529337 FDDMNQNZSULTSN-HOTGVXAUSA-N 479.408 2.293 30 10 JEEE COc1cc(C(=O)NCC2(NC(=O)OC(C)(C)C)COC2)ccc1B1OC(C)(C)C(C)(C)O1 2282567864 UELKUKTVFVDRTJ-UHFFFAOYSA-N 462.352 2.018 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC1=CCN(C(=O)OC(C)(C)C)CC1 2282581959 PEKCBVQSVVDUJT-UHFFFAOYSA-N 460.384 2.325 30 10 JEEE C[C@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)C[C@@H]1CCNC(=O)OC(C)(C)C 2282612650 HAUIPRNRLGQBKA-HOTGVXAUSA-N 462.400 2.342 30 10 JEEE CC[C@@]1(NC(=O)OC(C)(C)C)CCCN(C(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)C1 2282617118 DRAFIIUKBCJTNG-JOCHJYFZSA-N 463.388 2.024 30 10 JEEE CN(C(=O)OC(C)(C)C)[C@H]1CN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)CC12CC2 2282695929 VRFXIKUOTBIXJW-INIZCTEOSA-N 458.368 2.247 30 10 JEEE CC1(C)OB(c2cc(S(=O)(=O)N(Cc3ccccc3)CC3(O)CNC3)ccc2Cl)OC1(C)C 2282871590 JKTKJUQOLBIRHN-UHFFFAOYSA-N 492.834 2.164 30 10 JEEE COC(=O)[C@@]1(Oc2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)CCN(C(=O)OC(C)(C)C)C1 2282997786 LZMXUWQIMUTRCP-HSZRJFAPSA-N 462.352 2.499 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H](C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1)[C@@H]1CCOC1 2284062519 GOIBLLBGKNMPIR-NVXWUHKLSA-N 461.368 2.497 30 10 JEEE CO[C@@]1(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)c(C)n2)CCN(C(=O)OC(C)(C)C)C1 2284065589 JHWVIGSYBIBGER-QFIPXVFZSA-N 462.356 2.049 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(=O)O)N(c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2284355514 CVBJYWJGPOTOOC-HOCLYGCPSA-N 465.331 2.467 30 10 JEEE CN[C@H](C#Cc1cccc(Br)c1)[C@H](NC(=O)OC(C)(C)C)C1CS(=O)(=O)C1 2296272473 JRCSSCFWBAEMHT-IAGOWNOFSA-N 457.390 2.327 30 10 JEEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@H](CCO)COCc3ccccc3)s2)OC1(C)C 2320500950 YNTMNNZCYVWQNW-QGZVFWFLSA-N 467.418 2.293 30 10 JEEE Cn1ncc(C(=O)NC[C@@H]2C[C@@H]3CC[C@H]2N3C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2359263231 MVWGUDKPZFETFD-YQQAZPJKSA-N 460.384 2.237 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@]23C[C@@H]2CN(C(=O)OC(C)(C)C)C3)n1C 2362492349 BDJXHUMBSQPOQB-IQMFZBJNSA-N 460.384 2.015 30 10 JEEE CC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nc(C)n1C 2362493787 SLWUJMZIPWCUKT-MRXNPFEDSA-N 462.400 2.499 30 10 JEEE CC(C)(C)OC(=O)N1CC(=O)NC[C@@H]1C(=O)N1CC(B2OC(C)(C)C(C)(C)O2)=CCC1(C)C 2362671083 ZLWXDZGCOCDMHY-MRXNPFEDSA-N 463.384 2.291 30 10 JEEE COc1cc(/C=N/Nc2nc(SCC(=O)NCc3ccccc3)n[nH]2)c([N+](=O)[O-])cc1O 59040004 LPZLOSWBXGONSH-UFFVCSGVSA-N 457.472 2.282 30 10 JEEE COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccncc2)cc1Cl 103103816 DWTMDQZBNOFRHG-LCPUNJGISA-N 457.914 2.498 30 10 JEEE C=CCN(C(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1)[C@H]1CCS(=O)(=O)C1 512566379 WWZRNMMMOLAONT-NRFANRHFSA-N 474.604 2.249 30 10 JEEE CS(=O)(=O)CC[C@@H](NC(=O)c1ccccc1Br)C(=O)NCc1ccc(C#N)cc1F 609231483 YAPSDSZULHZVTD-GOSISDBHSA-N 496.358 2.309 30 10 JEEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(N3C[C@H](C)O[C@H](C)C3)c(C(F)(F)F)c2)C1=O 728011561 MVZPAEBIFLTNAI-BETUJISGSA-N 468.432 2.234 30 10 JEEE C[C@H](C(=O)O)N1CCN(C(=O)C#CCNC(=O)OCC2c3ccccc3-c3ccccc32)CC1 757471704 UBTDFSKKVBBHAZ-GOSISDBHSA-N 461.518 2.146 30 10 JEEE C=CCn1nc(C)c(C=NNc2nnc(SCC(=O)Nc3ccc(OC)cc3OC)n2N)c1C 1084408899 AHGDQKTYJVQICM-UHFFFAOYSA-N 485.574 2.185 30 10 JEEE NC(=O)CSc1n[nH]c(NN=Cc2cc(Br)cc(Br)c2O)n1 1084420375 LUFRJZBCFMIFJQ-UHFFFAOYSA-N 450.116 2.059 30 10 JEEE Cn1c(=O)c2nc(Sc3n[nH]c(NN=Cc4cccc(Oc5ccccc5)c4)n3)[nH]c2n(C)c1=O 1084653948 DSDBPWJYMJDUHZ-UHFFFAOYSA-N 489.521 2.468 30 10 JEEE C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)N(C)CCCc3[nH]nc(N)c3C#N)cc2)C1 1151151009 CYWZFYUUFNBXAT-HOTGVXAUSA-N 458.588 2.235 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1C(F)(F)F 1286297987 ZNICLTVRVIQHMM-PBHICJAKSA-N 471.505 2.136 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H](F)COC)[C@H]1CCS(=O)(=O)C1 1286388611 SKUHKEHIMPPFJN-CABCVRRESA-N 458.918 2.349 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H](C)OC)[C@H]1CCS(=O)(=O)C1 1286395637 SIFJJVAKDNHPQH-QRVBRYPASA-N 495.646 2.054 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1286406264 SCJMVWJNPUPXMC-NRFANRHFSA-N 451.538 2.390 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@]2(N(C)C)CCC[C@H](C)C2)CC1 1286469219 BWDQUMUDDMUJGZ-NBGIEHNGSA-N 457.667 2.462 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccccc3Br)n2Cc2ccc(C(N)=O)nc2)CC1 1286475462 AMWYFFHAHXMJLC-UHFFFAOYSA-N 480.370 2.005 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCN2CCCC2)CC1 1286494302 LSMYETMAYMSXGR-NRFANRHFSA-N 499.660 2.412 30 10 JEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2cc(F)cc(F)c2C1 1286496550 UEMDMCPOQKNMDK-CYBMUJFWSA-N 455.556 2.096 30 10 JEEE C#CCSCCn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCS(=O)(=O)CC1 1286497727 WVMRVRYRKMQKRZ-QGZVFWFLSA-N 464.613 2.418 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1286549238 WUHYDHMTRDQDNX-ACRUOGEOSA-N 471.606 2.116 30 10 JEEE C=C(C)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN([C@H](C)C(=O)NCCCOC)CC1 1286592755 UGSPCAXTPHCUFO-KNQAVFIVSA-N 484.601 2.030 30 10 JEEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1286601322 KFWYMNJMAIOVTJ-SJORKVTESA-N 450.584 2.358 30 10 JEEE C=C(C)COCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@@H](C(=O)NC)C1 1286611814 OLDBSWQHRCCKSW-HXUWFJFHSA-N 468.606 2.007 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1286782717 DCWKPBXFMCHDDN-ZDUSSCGKSA-N 458.371 2.177 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1286783967 RRFLNRPKECLXDL-UHFFFAOYSA-N 487.052 2.291 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC[C@@H](C(=O)NC)C1 1286819737 ULLJBHMTNWGBBS-GOSISDBHSA-N 484.582 2.163 30 10 JEEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1286824664 ZQZADFUDPWXMDE-RBUKOAKNSA-N 471.631 2.392 30 10 JEEE CC[C@@H](C)N(C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2C#N)CC1 1291773043 DXISHRZIGFCVEZ-CTNGQTDRSA-N 485.658 2.109 30 10 JEEE CCn1nc(-c2nnc(N(C)[C@@H](C)CC#N)n2CC2(CS(C)(=O)=O)CC2)c2ccccc2c1=O 1296213376 IFEITWDKRBPQJR-INIZCTEOSA-N 483.598 2.238 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ccc(N(C)C)nc1 1300283515 NEPSNNQKPNQYGM-KRWDZBQOSA-N 467.599 2.163 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2ccoc2)CC1 1300725060 FMOKKLUZCDZTOH-FQEVSTJZSA-N 498.584 2.194 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2CCn2cc(C)cn2)CC1 1300726850 SFHQYYUZTIXQHN-UHFFFAOYSA-N 467.524 2.318 30 10 JEEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1300767236 TWRFJJLSGGZVLX-SFHVURJKSA-N 459.583 2.007 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1300843660 DFDWULUCHQFYJD-UBHSHLNASA-N 469.384 2.487 30 10 JEEE C=C(Cn1c(C)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1)c1ccccc1 1301003274 ILZZWTPDFASMHV-AQNXPRMDSA-N 473.599 2.426 30 10 JEEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 1301197393 RZINLXURINSDCF-QGZVFWFLSA-N 452.625 2.226 30 10 JEEE C=CCn1c(-c2ccccn2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)C2(CCS(=O)(=O)CC2)C1 1301447181 UUGLSSLZQLMFOL-GOSISDBHSA-N 488.614 2.434 30 10 JEEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1301509285 FNWHAIUXJKKDDX-QFIPXVFZSA-N 462.602 2.490 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc3cccnc23)nnc1N1CCC[C@H](CC(N)=O)C1 1301578313 XBEUBOOXBKPGEM-QGZVFWFLSA-N 468.583 2.186 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1301579012 LTQHDZQPYSTTHD-IBGZPJMESA-N 482.614 2.145 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1301588217 DDYYSSPUNJVWKD-QRVBRYPASA-N 495.646 2.076 30 10 JEEE CC(=O)N1CCN(CCn2c(-c3ccc(C#N)cc3)nnc2N2C[C@@H](C)S[C@H](C)C2)CC1 1301763123 CSDOSHFALOWIOR-QZTJIDSGSA-N 453.616 2.311 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(Cc2csc(C)n2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1358894090 IFHCSJANUKNBQV-AYBZRNKSSA-N 456.595 2.438 30 10 JEEE C#CCCCCn1c(Nc2cnn(CC3CCC3)c2)nnc1[C@@H]1CN(S(C)(=O)=O)CCO1 1358918171 MPBYWHMXHSYPLV-IBGZPJMESA-N 461.592 2.155 30 10 JEEE C#CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1358929046 QXHDGUHVEVPZSE-IPMKNSEASA-N 475.590 2.166 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC2CC(F)(F)C2)CC1 1359035864 GYYDWUYSXPIHIP-SFHVURJKSA-N 480.560 2.387 30 10 JEEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1359038154 LZCMJMWRNOKDGA-NRFANRHFSA-N 471.627 2.054 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C)n2C[C@H]2CC3(CC3)CN2C(=O)OC(C)(C)C)CC1 1359040888 IURPGJAMHCAJBX-LJQANCHMSA-N 456.591 2.342 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](C)Oc2cccc(F)c2)CC1 1359044024 RUQKRNQMDCTVOW-KRWDZBQOSA-N 465.533 2.251 30 10 JEEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCCN(CCC)C(=O)C1 1359051186 OTJYZMREDMJZTF-UHFFFAOYSA-N 475.640 2.164 30 10 JEEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2nccc(OCC)n2)CC1 1359056871 MYGBBTMZLBSPAU-SFHVURJKSA-N 457.604 2.401 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1359106254 ZKFCDSWGXSNIRP-NMLBUPMWSA-N 467.636 2.219 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1359329095 YQNCVUXZAIABQX-FUHWJXTLSA-N 463.991 2.256 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCCN(c2ccc(OC)cc2)CC1 1359336624 WTPMIVVAXSQJPN-OAQYLSRUSA-N 475.615 2.456 30 10 JEEE CC(=O)NC[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCc2nc(C)no2)C1 1359438630 FLDOJIGUHFFSTE-FQEVSTJZSA-N 478.557 2.406 30 10 JEEE N#Cc1c[nH]ccc1=NC(=O)C1CCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)CC1 1360062020 BXRQOLNFCLICFJ-UHFFFAOYSA-N 454.430 2.313 30 10 JEEE C=CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(F)c(N3CCCS3(=O)=O)c2)c1 1464841919 CWDZCLVGNWBMIX-UHFFFAOYSA-N 453.517 2.082 30 10 JEEE COC(=O)CN1CCN(C(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)CC1 1470660645 HKBNUECZLIGWSC-UHFFFAOYSA-N 452.536 2.220 30 10 JEEE Cc1cccc(-c2nnc(N3CCN(c4ccccc4C#N)CC3)n2CC(=O)NCC(F)F)n1 1492517781 FNUNBFJJCUYILD-UHFFFAOYSA-N 466.496 2.228 30 10 JEEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC(=O)Nc1c(C)cccc1C 1499163895 BUGRLMAKIJKRED-GOSISDBHSA-N 459.558 2.473 30 10 JEEE CCOC(C)(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1502535593 DZRKHBIFWZSBRB-QGZVFWFLSA-N 483.621 2.388 30 10 JEEE CCS(=O)(=O)N(C)CCCn1c(CC(C)(C)C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1503266230 GFLRKDCZICOMJD-UHFFFAOYSA-N 488.662 2.132 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCN(C(=O)N(CC)CC)CC2)nnc1[C@@]1(OCC)CCOC1 1507810716 LRZOQUUXRDCZMT-STWLZBDKSA-N 490.649 2.495 30 10 JEEE C=C(Cl)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@H]1c1nncn1C 1507856338 GSKNBCZNMTZBME-KRWDZBQOSA-N 476.994 2.418 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 1508144295 PFLVAHPFFMRBGY-IBGZPJMESA-N 490.630 2.358 30 10 JEEE C[C@H]1COCCN1c1nnc(-c2cccc(C#N)c2)n1C[C@H](N1CCOCC1)C(F)(F)F 1512538680 GGTXYLDITFKUFW-YJBOKZPZSA-N 450.465 2.305 30 10 JEEE CCN(c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(OC)nc1OC)[C@H]1CCS(=O)(=O)C1 1515393170 HSAKKLNEJMBZKF-IBGZPJMESA-N 482.566 2.291 30 10 JEEE COC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)OC2(CCOCC2)C1)OC 1518729456 AAWGLXWMZKASBW-RXVVDRJESA-N 471.558 2.164 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1538985144 WXXFJVDTMZPISB-CABCVRRESA-N 466.405 2.447 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1CC1(N(C)C)CCC1)[C@@H]1CCS(=O)(=O)C1 1539231712 XEDVPSMLHVOXRA-GOSISDBHSA-N 475.590 2.107 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CCNS(C)(=O)=O 1539239283 JHOJVNPDSMFFHM-QGZVFWFLSA-N 463.991 2.310 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccccc3Br)n2CC2(CS(C)(=O)=O)CC2)CC1 1539441496 QXYJBKBGTMAKEC-UHFFFAOYSA-N 492.443 2.288 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1539461262 BZDQJOFHKSKYTB-NRFANRHFSA-N 450.587 2.144 30 10 JEEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccccc2[C@@H]1C 1539751171 HSRDMBWYHRIXST-RXVVDRJESA-N 475.615 2.327 30 10 JEEE C=CCn1c(COc2ccc(Br)cc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1540860292 ZPNIVXZEJPEVKI-UHFFFAOYSA-N 457.332 2.462 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCS[C@H](CC)C1 1540861718 DGQTVFMRDUPIRK-QGZVFWFLSA-N 463.007 2.496 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CCNC(=O)c2cccc(OC)c2)C1 1540890690 IOROFDJEKQXHDO-CTNGQTDRSA-N 455.559 2.392 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](c2ccc(F)cc2)C1 1540897156 BYGIZBWJWXONFI-SFHVURJKSA-N 461.563 2.248 30 10 JEEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(N2CCCNC2=O)CC1 1540925515 YAMLVHOXDMTBFE-HKUYNNGSSA-N 464.636 2.305 30 10 JEEE COCCN(CCC#N)c1nnc(-c2c[nH]c3ccccc23)n1C[C@H]1CCCN1S(C)(=O)=O 1555556452 BLZLPSBVXLSMCK-QGZVFWFLSA-N 471.587 2.217 30 10 JEEE CC(C)Oc1ccc([C@H](CNC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)N(C)C)cc1 1569887372 HLKGUZFFKBVRQP-VGSWGCGISA-N 458.584 2.431 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1cc(F)ccc1SC)[C@H]1CCS(=O)(=O)C1 1588050127 PCOWHYCOFDOCGH-SFHVURJKSA-N 474.587 2.215 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccnc2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1589516323 ZJFZNXUYOOFFAB-TYPHKJRUSA-N 474.631 2.429 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCC(N(C)C(C)=O)CC2)nnc1[C@@]1(OCC)CCOC1 1589579978 NAKFHRJCNYTVKG-ZCVJKFOLSA-N 461.607 2.359 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccnc(C(F)(F)F)c1 1589664329 YAPKJANPGYWXHY-INIZCTEOSA-N 488.536 2.476 30 10 JEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2ccc(NC(C)=O)cc2)CC1 1594192510 KBHQUGWSCUABAK-MRXNPFEDSA-N 460.604 2.492 30 10 JEEE C=CCCOCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(S(C)(=O)=O)CC1 1594793059 FRYQWRGNXPNVPM-UHFFFAOYSA-N 457.959 2.412 30 10 JEEE C=CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@H](CC(N)=O)C1 1595870981 BOBULKICYLUDFF-MRXNPFEDSA-N 467.599 2.203 30 10 JEEE CC(=O)NC[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2c(C)nn(C)c2C)C1 1596576178 FMCOQUDYWCBNNC-OAQYLSRUSA-N 476.585 2.480 30 10 JEEE Cc1cccc(O[C@H](C)c2nnc(N3CC[C@@](F)(C#N)C3)n2CC2(O)CCS(=O)(=O)CC2)c1C 1611824845 HBFFJQSLOUFHJV-XMSQKQJNSA-N 491.589 2.417 30 10 JEEE COc1cc(OC)cc(-c2nnc(N3CCC(CC#N)CC3)n2CCN2CCN(C(C)=O)CC2)c1 1619129627 GTYIIKNYBXXFBD-UHFFFAOYSA-N 481.601 2.256 30 10 JEEE C#CCOc1ccccc1CNC(=O)c1cc(I)ccc1-n1cnnn1 1628086926 XSQXKZPZPHFIQA-UHFFFAOYSA-N 459.247 2.209 30 10 JEEE C#CC1(NC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)CCCC1 1636665057 WEDKYYXWQLTRBI-UHFFFAOYSA-N 459.612 2.485 30 10 JEEE COC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCCN1S(=O)(=O)c1ccc(C#N)c(Cl)c1 1655257559 ICGIVMZSNORMSB-MRXNPFEDSA-N 457.936 2.385 30 10 JEEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(N2CCOCC2)c(F)c1 1689947912 OJRAWNCCHJLJCW-XMMPIXPASA-N 457.550 2.412 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CCc1ccc2c(c1)CCO2)[C@@H]1CCS(=O)(=O)C1 1689978324 SGTVDZBSWQSEHJ-OAQYLSRUSA-N 499.637 2.001 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@](C)(OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1689984785 VMCAGEJTZLOJJB-XXBNENTESA-N 458.584 2.396 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H](OC)c2ccc(F)cc2)CC1 1690138056 QVMYKQJGMCZURJ-ATIYNZHBSA-N 499.587 2.423 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2Cc2cnn(C)c2C)CC1 1690140251 RSENPFZXCWDXMI-UHFFFAOYSA-N 477.569 2.018 30 10 JEEE C=C(Br)Cn1c(-c2cccc(C)n2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1690226895 PLIURURXJNSCLJ-INIZCTEOSA-N 474.363 2.324 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCCc1ccc(OC)cc1 1690288410 XMHKEKJEWIOWPZ-FQEVSTJZSA-N 463.604 2.265 30 10 JEEE C=CCCOCCn1c(-c2ccc(OC)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1690503852 QAEJXKYLWBZZRW-LJQANCHMSA-N 454.531 2.019 30 10 JEEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1690508547 KWIOPABAAFHLDK-QZTJIDSGSA-N 451.568 2.105 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1C[C@@H]1C 1690556146 OCFWUNBHFUUBHZ-CUWPLCDZSA-N 475.615 2.468 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1690720788 SHUQCPNKICMDHT-BSRJHKFKSA-N 476.599 2.327 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CN(Cc2ccccc2)CCO1 1690992902 BKNNMSFSIMNOCT-PZJWPPBQSA-N 451.575 2.011 30 10 JEEE C[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(C)(C)CN1CCOCC1)N1CCOCC1 1692694767 GOESUSHSKVVCSH-NRFANRHFSA-N 481.645 2.332 30 10 JEEE CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCC[C@H](O)C1)[C@H]1CCS(=O)(=O)C1 1695566938 ASNOIXCLOVQRDW-AABGKKOBSA-N 473.599 2.293 30 10 JEEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ncccc2N(C)C)C[C@H]1C 1698086997 BVHJNDPCNTZZRU-LJQANCHMSA-N 460.586 2.483 30 10 JEEE C#CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1705511259 NKUIDDFNFYMMAA-MRXNPFEDSA-N 474.363 2.312 30 10 JEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]2CCN(Cc3ccccc3)[C@H]21 1705525186 ZZKQGDFXJCPUBJ-DWLFOUALSA-N 456.616 2.360 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1Cc1cccnc1OC)[C@@H]1CCS(=O)(=O)C1 1705562588 GBJWTVRLEDORPP-LJQANCHMSA-N 497.577 2.041 30 10 JEEE C#CCN(c1nnc(-c2ccc(OCC)c(OC)c2)n1Cc1cc(C)no1)[C@H]1CCS(=O)(=O)C1 1705562734 ITNQFZOKZWPAJK-SFHVURJKSA-N 485.566 2.324 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1705562834 LMMFOFRPPUALHS-IEBWSBKVSA-N 474.583 2.158 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCn1cc(C)cn1 1705590185 DOQQVVNVINSSGN-UHFFFAOYSA-N 464.599 2.215 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCN(C)C(C)C)CC1 1705639920 ZDXOUFFMVAXGNV-NRFANRHFSA-N 473.666 2.488 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(F)cc1 1705700548 VJAWESCYSZMHLW-GIVPXCGWSA-N 493.605 2.368 30 10 JEEE C=CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1705887669 UHQNJFYHRRXNCI-CEXWTWQISA-N 484.582 2.129 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C(=O)Nc2ccccc2)CC1 1705895173 WMJINTBAABXTLG-UHFFFAOYSA-N 488.552 2.083 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCO[C@@H](c3cccc(F)c3)C2)nnc1[C@]1(OCC)CCOC1 1705938569 CLZPEGVNXNZBAY-OFNKIYASSA-N 494.589 2.248 30 10 JEEE CCNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C(C)C)N2CCOCC2)CC1 1710337445 BQIDTYSDIIDGME-JOCHJYFZSA-N 480.617 2.025 30 10 JEEE COCCN(C)S(=O)(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCC2CC2)C1 1712427015 BKSOIQGYFYIXTO-OAQYLSRUSA-N 472.615 2.494 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCOC[C@@H]1CCOC1 1722294455 RIFRSWTUZZIYIA-ROUUACIJSA-N 450.543 2.093 30 10 JEEE C#CCCCCn1c(-c2ccccc2Br)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1722312516 HKOWLLZIKALNDO-UHFFFAOYSA-N 499.413 2.438 30 10 JEEE C#CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(C)=O)C[C@@H]1C 1722317266 RQOCCUYAVSAWJN-AZUAARDMSA-N 474.606 2.447 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@]1(C)CCO[C@@H]1C1CC1)[C@@H]1CCS(=O)(=O)C1 1722358487 IEFBMHGAFDXKAK-REHUZNOOSA-N 491.658 2.028 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1722362712 VWDNUAGBOIYJEK-SFHLNBCPSA-N 487.674 2.062 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCCN(CC)C(=O)C1 1722500592 CIGMLODACPURJK-UWJYYQICSA-N 472.615 2.309 30 10 JEEE C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(=O)C(C)C)CC1)c1ccccc1 1722539032 DQZHODRBFXLOHQ-IBGZPJMESA-N 474.631 2.296 30 10 JEEE C=C(Cl)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1722553626 CYBLKTMVEKRPKC-UHFFFAOYSA-N 497.050 2.168 30 10 JEEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1722701445 QBMDCLDEPFFIBL-GOSISDBHSA-N 462.595 2.043 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCSC2(CCOCC2)C1 1722706836 ZIXHHFDUHQPPIN-UHFFFAOYSA-N 461.563 2.401 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(NC(=O)N(C)C)cc2)C1 1722709171 KJZROMFXRZANLY-IBGZPJMESA-N 455.563 2.339 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCCS(=O)(=O)C2)C1 1722714295 KEMTYAHWXKDUDW-LPHOPBHVSA-N 461.544 2.459 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCOc2ccc(F)c(F)c2)C1 1722719550 VVDDXLMSQPUKDG-WBVHZDCISA-N 468.526 2.319 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC[C@@H](CC(N)=O)C1 1722724431 WRVYHKLOURGAPG-KRWDZBQOSA-N 483.598 2.028 30 10 JEEE CC(C)N(CCn1c(-c2cnccn2)nnc1N1CCN(c2ccc(C#N)cn2)CC1)C(C)C 1723539533 DIRYBOMHCAAHKR-UHFFFAOYSA-N 460.590 2.447 30 10 JEEE COC(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2CCN(C(C)=O)CC2)C1 1729754654 GEJBOBDZCUYKEF-NRFANRHFSA-N 480.569 2.377 30 10 JEEE CS(=O)(=O)C1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(O)(C(F)(F)F)CC2)CC1 1730992351 BAOCSOOPTNSFBX-UHFFFAOYSA-N 469.489 2.288 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc(OC(F)(F)F)cc1 1740533085 ONBVCYHPVZGFPM-KGLIPLIRSA-N 459.494 2.488 30 10 JEEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H](C)N1CCN(c2ccccc2)CC1 1740601051 WDIHZACCXYLHTC-BWKNWUBXSA-N 452.603 2.210 30 10 JEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1nnc2n1CCCCC2 1740611126 USBYZFZIQSFIKW-GOSISDBHSA-N 484.605 2.217 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1(S(C)(=O)=O)CC1 1740645199 IOBNYPHPWLGPFV-KRWDZBQOSA-N 461.588 2.000 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2noc3c2COCC3)n1CCCS(C)(=O)=O 1740676534 GBVGHVSSXLYRDH-UHFFFAOYSA-N 473.530 2.219 30 10 JEEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1740721673 PRJVTGYSDWKZKZ-SFTDATJTSA-N 453.568 2.479 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)cc(C)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1740734316 YMZMAUNYAVZMBV-DHIUTWEWSA-N 458.584 2.016 30 10 JEEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1740777687 YNBLOAHPYXDVDQ-CVEARBPZSA-N 456.613 2.158 30 10 JEEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1740793504 KHHTZZFENXLLDS-UHFFFAOYSA-N 452.563 2.260 30 10 JEEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCC(=O)N1CCCCC1 1740893847 ZJROWITULCXDPQ-UHFFFAOYSA-N 460.604 2.220 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCO[C@H]1C(C)C)C1CC1 1740910936 UVBJECTUIANSMA-HOJAQTOUSA-N 467.636 2.217 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)N2CCCC2)n1CCC(=O)N1CCOCC1 1740919731 QAHPXBXISHIUPS-UHFFFAOYSA-N 470.549 2.095 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C3(c4ccccc4)CCC3)n2CCS(=O)(=O)N(C)C)C1 1740973160 RSCMHDNTMHRBJS-HXUWFJFHSA-N 459.616 2.421 30 10 JEEE C=CCSCCn1c(N2CC[C@@H](C(N)=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1741004505 CGBDGKKZOAYUPJ-OAGGEKHMSA-N 450.609 2.280 30 10 JEEE CC(=O)N1CCN(c2nnc(-c3ccccc3Cl)n2CCN/C(O)=C2/N=CC=CC2=O)[C@H](C)C1 1741046365 IOXMNWQNENEJGE-BQHWHHKNSA-N 483.960 2.182 30 10 JEEE C[C@@H]1CN(CCCn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@](C)(C(N)=O)C2)CCCO1 1743335338 BEASALBOSQWQSG-HOYKHHGWSA-N 451.575 2.019 30 10 JEEE CCN(CC)C(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1746034837 CREYPTGLZVCQDA-FQEVSTJZSA-N 472.615 2.479 30 10 JEEE CCN1CCN(C[C@@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@](C)(C(=O)NC)C2)CC1 1746459541 DGHSDDQMRODDSM-FQRUVTKNSA-N 478.645 2.053 30 10 JEEE COc1c(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@H](C)CC#N)oc2ccccc12 1748506992 FUFJNHMAPPKZAH-BEFAXECRSA-N 488.570 2.152 30 10 JEEE C#CCCCn1c(N2CCC(C(=O)NCC(F)(F)F)CC2)nnc1[C@@]1(OCC)CCOC1 1748762733 QFLMRMQCKKINKU-HXUWFJFHSA-N 457.497 2.239 30 10 JEEE C#CCCCn1c(N2CCCN(c3nc(CC)ns3)CC2)nnc1[C@]1(OCC)CCOC1 1748764477 PMEWRNKFZDMZER-QFIPXVFZSA-N 459.620 2.474 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1C[C@@H](C)CNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1748817317 ISIBXTHSSJXNPD-ZWKOTPCHSA-N 467.636 2.264 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CCC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1748825410 YLVPKDPZJWVUEP-OAQYLSRUSA-N 483.594 2.172 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1nnc(C)s1 1748930125 YEYAETXPYGHSBU-INIZCTEOSA-N 461.592 2.449 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2Cc2cnnn2C)CC1 1749006512 QBRVJYJSBCQINH-UHFFFAOYSA-N 473.368 2.395 30 10 JEEE C=C(Cl)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1749280952 VNNXUFZQDTWUMP-ZDUSSCGKSA-N 485.759 2.063 30 10 JEEE C=CCN(c1nnc(COc2ccc(F)cc2)n1CC1(O)CCS(=O)(=O)CC1)C1CC1 1749527813 SCYJUWUOKZPLIW-UHFFFAOYSA-N 450.536 2.091 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1749664014 DIUNRVDMNFWKSS-UHFFFAOYSA-N 463.542 2.251 30 10 JEEE C=CCOc1ccc(Cn2c(-c3cccnc3)nnc2N2CCN(CC(=O)NCC)CC2)cc1 1749684199 SUCKEPOHTASMOT-UHFFFAOYSA-N 461.570 2.211 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(COc3cc(C)ccc3C)n2CCN2CCN(C(C)=O)CC2)C1 1749717645 NVUXGRCZHIYVKK-HSZRJFAPSA-N 482.629 2.419 30 10 JEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](c2nc(C)cs2)C1 1749737874 ABIPLRWIBSRSAN-KRWDZBQOSA-N 478.644 2.150 30 10 JEEE C[C@H]1C[C@H](C)CN(CCCn2c(-c3ccc(C#N)cc3)nnc2N2CCN(CC(=O)N(C)C)CC2)C1 1752011986 HWRFLLXXOJNZCU-VXKWHMMOSA-N 492.672 2.395 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(C#N)c2)n1CCCN1CCN(c2ccncc2)CC1 1760199811 JTMBDCXOMDGBCS-UHFFFAOYSA-N 464.577 2.497 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCSCC=C)CC1 1760261495 MXKSTPPGEBJXOW-LJQANCHMSA-N 476.647 2.261 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)ccc2Br)n1CCNS(C)(=O)=O 1760289781 UVUYZHWFCLJIST-LJQANCHMSA-N 482.404 2.258 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@]2(N(C)C)CCSC2)C1 1760549710 KXOFVCMZSZGDGO-JTSKRJEESA-N 476.672 2.488 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N(C)Cc1cnn(C)c1C 1760551276 ZRESINUXAMDKJK-UHFFFAOYSA-N 496.435 2.325 30 10 JEEE CC(=O)N1CCN([C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CC(F)(F)F)C[C@@H]2C)CC1 1760621247 FPZBCRJLLSMMLF-KXBFYZLASA-N 461.492 2.368 30 10 JEEE CCn1cc(CN(C)c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCSC2)cn1 1765319886 HWRZOKOVKKOYGR-QFIPXVFZSA-N 453.572 2.450 30 10 JEEE CCO[C@@]1(c2nnc(N3CCN(c4cc(C#N)ccn4)CC3)n2C[C@H](C)SC)CCOC1 1765911609 DCDVRGJTPCTXBL-JTSKRJEESA-N 457.604 2.275 30 10 JEEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cc(C)nn2C)C[C@H](C)O1 1770960271 GVEUBHUYOKZMLG-UWJYYQICSA-N 451.531 2.059 30 10 JEEE CCN(CC)C(=O)[C@H](C#N)[C@@H](c1cc(OC)c(O)c([N+](=O)[O-])c1)[C@H](C#N)C(=O)N(CC)CC 1848438987 GBNYBGKWCCWSJE-HGKCTWBKSA-N 459.503 2.409 30 10 JEEE Nc1cccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccc([N+](=O)[O-])c2)c1 1862558220 QWNUPXDRDYMXAD-FQEVSTJZSA-N 452.467 2.088 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCCCO)cn1CCc1ccc(F)cc1 1870355335 SEJQGJHRNIGJAA-UHFFFAOYSA-N 457.546 2.282 30 10 JEEE C=CCn1cc(OCC(=O)NCc2ccc(OC)cc2)c(=O)cc1CN1C[C@@H](C)O[C@H](C)C1 1870648246 OLNMWYVGRGSJKA-RTBURBONSA-N 455.555 2.347 30 10 JEEE N#Cc1cccnc1N1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)CC1 1892188509 QWNMJQJZDFOZSE-UHFFFAOYSA-N 480.015 2.418 30 10 JEEE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@H](CNS(=O)(=O)N2CCC(C#N)CC2)C1 2140607259 OSGGAQYXAPMRSC-OAQYLSRUSA-N 477.631 2.178 30 10 JEEE CC(C)(C)OC(=O)Nc1nc(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)cs1 2248403955 HNXHABVPEPWGRN-UHFFFAOYSA-N 453.355 2.315 30 10 JEEE C[C@H]1CCC[C@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)N1C(=O)OC(C)(C)C 2256639263 HMXAXKQNENIEQC-QWHCGFSZSA-N 452.386 2.376 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)Nc1nc(B2OC(C)(C)C(C)(C)O2)ccc1Cl 2256673505 SVLUXCPNUWCSMI-LBPRGKRZSA-N 455.748 2.248 30 10 JEEE Cc1cc(CNC(=O)[C@H](CCO)NC(=O)OC(C)(C)C)sc1B1OC(C)(C)C(C)(C)O1 2256676987 TVBYVRAFBPAPDT-HNNXBMFYSA-N 454.398 2.248 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)s1 2267111751 XCGWGAHUOBGOPD-GOEBONIOSA-N 466.409 2.313 30 10 JEEE Cc1c(C(=O)NCCCCCNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267143001 BKIJUIOFRAYARL-UHFFFAOYSA-N 450.389 2.453 30 10 JEEE Cc1cc(S(=O)(=O)N2C[C@@H]3C(NC(=O)OC(C)(C)C)[C@H]3C2)sc1B1OC(C)(C)C(C)(C)O1 2267362209 OJGTTZMIZXOACV-KBPBESRZSA-N 484.449 2.499 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H]1NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2267364518 AHSFWIBBSJORCD-SUMWQHHRSA-N 470.372 2.316 30 10 JEEE C[C@H]1CN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2267379142 VUSLEBJSEASJOZ-HNNXBMFYSA-N 467.397 2.011 30 10 JEEE Cc1cc(C(=O)N(C)C[C@H](O)CN(C)C(=O)OC(C)(C)C)oc1B1OC(C)(C)C(C)(C)O1 2267520073 KAWPHZFNPIJVSX-HNNXBMFYSA-N 452.357 2.187 30 10 JEEE Cc1nn(C)c(C(=O)N[C@@H](C)CCN(C)C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267520754 MJUQEZJYPZWKCB-AWEZNQCLSA-N 450.389 2.403 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1COC[C@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1F 2281775554 HGPBHPMFMCPNHL-RDTXWAMCSA-N 464.343 2.394 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2CN(C(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)C[C@@H]2C1 2281990146 JLXQISLSCNBGCG-OWCLPIDISA-N 460.384 2.474 30 10 JEEE Cc1ccnc(C(=O)N2C[C@@H](NC(=O)C(F)(F)F)CC[C@@H]2C)c1B1OC(C)(C)C(C)(C)O1 2281998942 VIJVFFOLGPVIRW-KBPBESRZSA-N 455.286 2.361 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)[C@H]2COC[C@@H]21 2282182325 QSQNFYAKFOETQK-OALUTQOASA-N 458.364 2.446 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H]([S@](C)(=O)=NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2282189377 JMJULSQRLZDVQC-GSLRCMBYSA-N 480.396 2.023 30 10 JEEE CC(C)(C)OC(=O)NCCCN1CCN(C(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)CC1 2282209275 POHJCBWINZZMJP-UHFFFAOYSA-N 463.384 2.251 30 10 JEEE CC(C)(C)OC(=O)N1CC(NC(=O)c2ccc(Cl)c(B3OC(C)(C)C(C)(C)O3)c2)(C(=O)O)C1 2282406299 ICRLPUVLYRSJDY-UHFFFAOYSA-N 480.754 2.443 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)c3cscc3B3OC(C)(C)C(C)(C)O3)C[C@@H]2[C@@H]1CO 2282521294 YKSPWOXAHSDBGV-MPGHIAIKSA-N 478.420 2.347 30 10 JEEE CC1(C)OB(c2cnc(C(=O)NC[C@H]3CN(C(=O)OCc4ccccc4)CCO3)c(F)c2)OC1(C)C 2282534492 GKMGIHWVDAPNNS-IBGZPJMESA-N 499.348 2.287 30 10 JEEE CON(C(=O)c1nn(C)c(Cl)c1B1OC(C)(C)C(C)(C)O1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2282548958 CRPQAIZCWAOANY-ZDUSSCGKSA-N 484.790 2.386 30 10 JEEE Cn1cc(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 2282552247 INCAWYLWIROBOP-ZOBUZTSGSA-N 460.384 2.237 30 10 JEEE C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C1 2282555157 OOZVJPMKUFHNLK-CVEARBPZSA-N 462.400 2.485 30 10 JEEE CCc1nn(C)c(C(=O)NCCN(C(=O)OC(C)(C)C)C2CC2)c1B1OC(C)(C)C(C)(C)O1 2282557920 BSOSFNGGFQEHLY-UHFFFAOYSA-N 462.400 2.411 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2Cl)[C@H](O)C1 2282608042 POAIHXFGIULONS-JKSUJKDBSA-N 481.786 2.134 30 10 JEEE CN(C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CN(Cc2ccccc2)C(C)(C)C1 2282617774 MIGHBZPJHNPWFL-SFHVURJKSA-N 453.396 2.239 30 10 JEEE C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2cccc(B3OC(C)(C)C(C)(C)O3)c2C1 2283981236 KAWMKTPEGWFIJO-KXBFYZLASA-N 460.380 2.145 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCOCC[C@H]1C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2284022580 LIRXFKGQNZEXFO-CVEARBPZSA-N 481.424 2.378 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@H](OCC(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)C1 2284047566 JESBHBDGRRWGIL-HNNXBMFYSA-N 481.424 2.475 30 10 JEEE CC1(C)OB(c2cscc2S(=O)(=O)N2CC(COCc3ccccc3)(C(=O)O)C2)OC1(C)C 2284401393 HYLVFJDLQDIDMK-UHFFFAOYSA-N 493.412 2.339 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N[C@@H](C(=O)O)[C@@H](C)OCc1ccccc1 2285197528 MMPXFLZCDKTLNG-OXQOHEQNSA-N 454.332 2.478 30 10 JEEE CN(C[C@@]1(O)CCCN(C(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)C1)C(=O)OC(C)(C)C 2286339777 RNCZBVDHYALWLH-QFIPXVFZSA-N 481.424 2.276 30 10 JEEE Cc1nc(NC(=O)CN(C(=O)OC(C)(C)C)[C@H]2CCOC2)ncc1B1OC(C)(C)C(C)(C)O1 2288166905 FHPVHVYKBVWXNC-HNNXBMFYSA-N 462.356 2.049 30 10 JEEE COc1cc(C=Nn2c(SCCO)nnc2[C@@H]2CC(=O)N(C(C)C)C2)cc(Cl)c1O 2329054658 SIZYXTFDGDJBRQ-CYBMUJFWSA-N 453.952 2.337 30 10 JEEE CC(C)(C)OC(=O)N1CC(O)([C@@H](F)C(=O)N2CC[C@@H]3C[C@]3(B3OC(C)(C)C(C)(C)O3)C2)C1 2332306109 HGYFEGGZZZALKK-WIEQDCTASA-N 454.348 2.391 30 10 JEEE CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)Nc1cc(F)c(B2OC(C)(C)C(C)(C)O2)c(F)c1 2341176620 IOFHZYJSDNTCFX-OAHLLOKOSA-N 456.295 2.478 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CCS(C)(=O)=O)C(=O)N1CC[C@@](C)(B2OC(C)(C)C(C)(C)O2)C1 2342484407 BVPITUKLNILJEY-QVKFZJNVSA-N 474.429 2.399 30 10 JEEE Cn1nc(C(=O)NC[C@@H]2C[C@@H]3CC[C@H]2N3C(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2359269048 CHJBHGQVJSJHGY-YQQAZPJKSA-N 460.384 2.237 30 10 JEEE Cc1c(C(=O)NC[C@H]2[C@@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)nn1C 2359278326 KXORXYATRGTQQB-OWCLPIDISA-N 460.384 2.013 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@]2(C(=O)NCc3ncc(B4OC(C)(C)C(C)(C)O4)s3)CO[C@H]1C2 2359392638 QUWCPAUFCBVHDI-ALLJEULLSA-N 479.408 2.131 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)n1C 2362330362 AKCSVYSGQOWPFU-CVEARBPZSA-N 462.400 2.451 30 10 JEEE COc1ccc(CNC(=O)CSc2nnc(N/N=C/c3ccc(C)cc3)n2N)cc1OC 20917179 JWQIMNPADOLIEM-WYMPLXKRSA-N 455.544 2.172 30 10 JEEE O=C(O)CCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Br)cc1 104858099 GVKLNBZORIJMIG-ZZJCVSNXSA-N 461.359 2.305 30 10 JEEE C#CCn1nc(CNC(=O)c2cc(-c3cc(OC)ccc3OC)nn2C)c2ccccc2c1=O 585170958 UWEFVSJOULOUMY-UHFFFAOYSA-N 457.490 2.377 30 10 JEEE COc1ccc(C(C)=NNc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2N)cc1OC 1084314090 GZIDJNYRZHTRDN-UHFFFAOYSA-N 486.514 2.484 30 10 JEEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@H](CO)Cc2ccc(C(F)(F)F)cc2)c1 1150260955 GJXOPSBGUNIFSV-MRXNPFEDSA-N 454.470 2.198 30 10 JEEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2CCO[C@H]2c2ccnn2-c2ccccc2OC)n1 1271204929 WVSCALHSAZYPMZ-HYBUGGRVSA-N 463.538 2.463 30 10 JEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1 1286313901 HHSYUBTVRZIKOV-KRWDZBQOSA-N 493.033 2.308 30 10 JEEE C#CCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1286344624 CANWOCUUKMVTHB-UYAOXDASSA-N 467.570 2.497 30 10 JEEE C#CCN(c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H](CCC)OC)[C@H]1CCS(=O)(=O)C1 1286394076 NARQPBSITKKEIC-UEXGIBASSA-N 474.583 2.232 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@H](Cc1ccccc1)OC)[C@@H]1CCS(=O)(=O)C1 1286396167 VQDUDZOELXGCSQ-PKTZIBPZSA-N 479.606 2.148 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(C)c(Br)c2)n1CCS(=O)(=O)NC(C)C 1286405515 IFWRHQFFYQWGJP-UHFFFAOYSA-N 478.416 2.417 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CC(=O)NCC2CC2)CC1 1286473179 YGFKCENOPKLOSH-KRWDZBQOSA-N 456.978 2.353 30 10 JEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCc2ccc(OC)c(F)c2)CC1 1286485179 WXRWBLINYDUODW-UHFFFAOYSA-N 451.550 2.285 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@@]2(O)CCSC2)CC1 1286486218 DDPQCDHGWLKOEZ-DEOSSOPVSA-N 453.612 2.341 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2Cc2cnn(CC)c2)CC1 1286491814 CHJRLQLBWONMEX-UHFFFAOYSA-N 461.570 2.396 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H](C)Oc2ccc(OC)cc2)CC1 1286493679 PEHBHUSCOZYZQB-AZUAARDMSA-N 467.570 2.224 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](OC)c1ccc(F)cc1 1286522076 GOPMYXIAKZEYFT-SXWKCWPCSA-N 491.589 2.130 30 10 JEEE C=C(C)COCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)[C@H](C)CS(C)(=O)=O 1286604184 OTTJUTPPFOJNKK-MRXNPFEDSA-N 450.561 2.178 30 10 JEEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(=O)c2ccco2)CC1 1286604422 KNGPTZGZVKFABQ-UHFFFAOYSA-N 499.593 2.497 30 10 JEEE C=CC[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(N)=O)C1)c1ccccc1 1286678932 HJMDZTJBKBPEEA-SLFFLAALSA-N 457.600 2.242 30 10 JEEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc2c(cc1OC)C[C@@H](C)O2)C1CC1 1286731650 CDGJMDVMWJEAQH-HUUCEWRRSA-N 461.588 2.423 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1286782879 BYDFFAVDMOHFTC-IQGLISFBSA-N 485.585 2.429 30 10 JEEE C=CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C(=O)NC)CC1 1286832322 RUWILNFXGIKKEH-GOSISDBHSA-N 494.662 2.468 30 10 JEEE C[C@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCCC1(C)C 1291193362 ABBYHXIZLCHBQT-XDHUDOTRSA-N 452.559 2.337 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2CC[C@@H]2COCCO2)c1 1300335074 ZUIGWBWSTSJKPT-PZJWPPBQSA-N 453.543 2.034 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@](C)(O)c1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 1300488812 WKDRPHLDXAEBBC-AUSIDOKSSA-N 488.013 2.471 30 10 JEEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1CCC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1300504603 OQMOPPWHRFQLPP-HXUWFJFHSA-N 488.610 2.309 30 10 JEEE C#CCN(c1nnc(COCC)n1CC[C@@H]1CCOc2ccccc21)[C@H]1CCS(=O)(=O)C1 1300504886 VHSSENSXALIGBK-MOPGFXCFSA-N 458.584 2.398 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(CN2CCCCC2)cc1 1300671183 DOGIATFFZRDRSQ-QHCPKHFHSA-N 485.654 2.300 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(C)nc1 1300671450 IZTCZURMDRYLNJ-FQEVSTJZSA-N 470.574 2.424 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H]2CCN(CC)C2)CC1 1300700142 MIXFRZYMPMDLNZ-VXKWHMMOSA-N 485.677 2.490 30 10 JEEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2ccc(O)cc2C1 1300829870 BPJYESKIFVGQRH-LBPRGKRZSA-N 456.366 2.065 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)CCOC 1300870160 QQSHYCKFDNZJRG-AZUAARDMSA-N 463.604 2.259 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCCO2)nnc1N1CCC(NS(C)(=O)=O)CC1 1300883503 BUFLVDZTBKKMJR-UHOSZYNNSA-N 453.609 2.019 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(CC(=O)NC)CC1 1300895024 LCYWYAWNCOXFPW-MPJJRAAHSA-N 461.607 2.336 30 10 JEEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](c2ccc(F)cc2)C1 1300991587 VJTMKMFHLIQYIB-PZJWPPBQSA-N 493.605 2.337 30 10 JEEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N(C)C1CCC(NC(C)=O)CC1 1300992310 VTZXMWBIBZFELZ-UHFFFAOYSA-N 458.563 2.482 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)N(C)c1ccccc1)C1CC1 1301326592 CVBHYHDLGYREMY-NQIIRXRSSA-N 474.631 2.291 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cn2nc(C)cc2C)n1CC(=O)N1CCOCC1 1301338196 SQBWFMYLABAFEI-UHFFFAOYSA-N 479.585 2.200 30 10 JEEE COCC[C@@](C)(O)Cn1c([C@H]2CCOC2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1301448235 FZPNSBDYSKJJOO-WIOPSUGQSA-N 468.602 2.153 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(C(C)=O)C[C@@H]1C 1301577500 PDGWWQRVGKHFIH-HNNXBMFYSA-N 482.006 2.265 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1301586816 OHXCLZCZEXPCJD-NVXWUHKLSA-N 498.531 2.273 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CC[C@@H](Oc2ccccn2)C1 1301587621 WAEIJMFNHBPJFP-GOSISDBHSA-N 474.612 2.287 30 10 JEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc([S@](C)=O)cc1 1301612255 KWRBZSGQBYSBEE-ADKRDUOOSA-N 468.670 2.473 30 10 JEEE C=CCSCCn1c(COc2cccc(C)c2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1301618411 RJWVBRLPSVRBQQ-UHFFFAOYSA-N 498.653 2.356 30 10 JEEE Cc1cc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H](CN(C)S(C)(=O)=O)C2)n(C)n1 1304728002 FXVKUEAUNXBEPR-LJQANCHMSA-N 482.614 2.015 30 10 JEEE COC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1)OC 1315797147 FILNSPYOXFHWNK-HXUWFJFHSA-N 473.599 2.416 30 10 JEEE COCC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1315917366 HKYYEUDRLAGIPW-IBGZPJMESA-N 459.572 2.026 30 10 JEEE CS(=O)(=O)CC1(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CC[C@](F)(C#N)C2)CC1 1316341514 HPCMFDIFNDPHPT-KRWDZBQOSA-N 471.356 2.302 30 10 JEEE C#CCOc1ccc(C(=O)N2CC(=O)Nc3cc(S(=O)(=O)N4CCCCC4)ccc32)cc1 1350371056 DPXLHJFQVVVDQW-UHFFFAOYSA-N 453.520 2.472 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(OCC(F)(F)F)c1 1358872672 XJQNVHONQZVDSH-KBPBESRZSA-N 459.494 2.336 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2Cl)n1CCC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1358958183 JGNLIWYIPXBRBO-OAHLLOKOSA-N 484.409 2.357 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCn1cc([C@H]2CCOC2)cn1 1358986256 RHWUOGCZZFIBKY-SQJMNOBHSA-N 466.586 2.182 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCSCC(F)(F)F)CC1 1359031593 IFXZBBYZFLGAJB-UHFFFAOYSA-N 487.573 2.399 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3CC)n2C[C@H]2CCOC[C@@H]2OC)CC1 1359039159 YMRPULRCVAFTED-GGAORHGYSA-N 453.587 2.226 30 10 JEEE C=C(C)Cn1c(COc2ccccc2OCC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1359124610 SSDCWXIQQXFDSI-KRWDZBQOSA-N 454.531 2.305 30 10 JEEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 1359208043 DLKHUHOKGOFGHW-CXAGYDPISA-N 453.531 2.384 30 10 JEEE C=CCCOCCn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1359227094 SNQKWNXXVIPODH-VXKWHMMOSA-N 474.650 2.288 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCC(OCC(N)=O)CC1 1359293167 JJUDVCSKIRTAIA-UHFFFAOYSA-N 491.596 2.126 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC(C(=O)NCc2ccc(C)cc2)CC1 1359297218 JCQADYUBWIRYNX-UHFFFAOYSA-N 473.581 2.484 30 10 JEEE C=CCOc1ccccc1Cn1c(N2CCN(C(=O)NC)CC2)nnc1[C@@]1(OCC)CCOC1 1359311379 ZDRRFXHNVVKUGV-XMMPIXPASA-N 470.574 2.005 30 10 JEEE C=CCSCCn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1359345744 PFVJHJNGDZXHCP-KRWDZBQOSA-N 451.980 2.381 30 10 JEEE CC(C)(C)S(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1359586265 FUKCONOXOSZUCJ-OAQYLSRUSA-N 486.642 2.331 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@H]1CCCN(C(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1507630816 IJSHTTRTPVDQER-LEWJYISDSA-N 470.643 2.396 30 10 JEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1507647604 FEBDWKNPEDJQKI-QGZVFWFLSA-N 485.614 2.224 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCOc1ncccc1F 1507663153 UWABBYFZWIJMIB-UHFFFAOYSA-N 467.526 2.425 30 10 JEEE C#CCN(CC#CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCC1(O)CCOCC1 1507673355 RKZPWMCQAICMDC-UHFFFAOYSA-N 490.652 2.037 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@@H]1CCS(=O)(=O)C1 1507702491 LLZMFYVQHYRNTP-SJORKVTESA-N 450.536 2.078 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CCC2(O)CCOCC2)CC1 1507722675 DXPQDFFPOGJNEI-UHFFFAOYSA-N 469.586 2.039 30 10 JEEE C=C(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1507829434 XHZWNBXJJZWOQR-UHFFFAOYSA-N 454.575 2.283 30 10 JEEE C=CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1507935134 MZRVFGMHGCUVAH-LJQANCHMSA-N 459.620 2.432 30 10 JEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1507943866 MOWKBIBCJKHHCT-INIZCTEOSA-N 461.567 2.192 30 10 JEEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 1507961552 BGOUGYONMLJIHM-IBGZPJMESA-N 454.579 2.062 30 10 JEEE C=CCCOCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)NC[C@H]2C1 1507966274 OLBINWSYYJJFLE-ROUUACIJSA-N 475.594 2.157 30 10 JEEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)C[C@H]1CCOC1 1508087730 DLIUOJKHHMOWTK-QGZVFWFLSA-N 462.595 2.168 30 10 JEEE CC(C)(CN1CCCC1)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1508719959 CUALCRRWCUSHJW-OAQYLSRUSA-N 486.642 2.474 30 10 JEEE CC(C)NC(=O)c1nnc(N(C)[C@H](C)CC#N)n1Cc1cccc(CN2CCO[C@@H](C)C2)c1 1509576627 CCIQPFOGMKFUCY-MOPGFXCFSA-N 453.591 2.424 30 10 JEEE CC(C)NS(=O)(=O)CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C#N)C1 1509787191 ANSFJFSEZUKPFW-INIZCTEOSA-N 485.035 2.280 30 10 JEEE CCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1514260240 BTSPEDFKINOLRC-DFBJGRDBSA-N 467.618 2.405 30 10 JEEE COc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CC(=O)N(C)C)cc1Br 1518129936 GMPDCXLDKVLSDN-GOSISDBHSA-N 451.300 2.246 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCC[C@@H]1C 1519149674 BAOXOJNRJNLINB-SIKLNZKXSA-N 486.642 2.189 30 10 JEEE C#CCNC(=O)C1CCN(C(=O)[C@@]2(NC(=O)OC(C)(C)C)CCc3c(OC)cccc32)CC1 1524476506 KVPDNLUDCBLVLP-RUZDIDTESA-N 455.555 2.349 30 10 JEEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(N(C)C(C)=O)CC1 1539126511 WVXYFOPLJYETRI-FQEVSTJZSA-N 474.606 2.447 30 10 JEEE C#CCCCn1c(COc2ccc(F)cc2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1539139439 IBNRQVJAHNSCKP-UHFFFAOYSA-N 481.532 2.467 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CCCCN1CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1539225115 LYJFGNDACPSWKD-FYYLOGMGSA-N 484.670 2.403 30 10 JEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN(C)Cc1ccccc1 1539258296 UPTMHYSPRVCDEB-UHFFFAOYSA-N 475.622 2.443 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@H](C(CC)CC)N2CCOCC2)CC1 1539476491 YPXRKMPNFKAYNJ-XMMPIXPASA-N 493.656 2.443 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@@H](C)N2CCC(C)CC2)CC1 1539481666 CPVWIRUUCHZFPR-OAQYLSRUSA-N 463.630 2.350 30 10 JEEE C#CCSCCn1c(Cc2ccccc2F)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1539520491 RSWOUOYLDNOFNO-SFHVURJKSA-N 470.618 2.164 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 1539626204 BSVPDRLNNNOEEF-CTNGQTDRSA-N 492.646 2.131 30 10 JEEE C=C(C)Cn1c(N2C[C@@H]3[C@H](C2)[C@H](NC(=O)OC(C)(C)C)CS3(=O)=O)nnc1C(C)(C)C 1539733651 JBBMWYLDBZQPGI-BZUAXINKSA-N 453.609 2.278 30 10 JEEE C=CCN(c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)NCC1CC1)C1CC1 1540108553 JTDMTKLDFBKWRI-GOSISDBHSA-N 460.579 2.268 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC(C)(C)C(=O)NC)C1 1540883381 YZUVWVVDGWVGFO-SFHVURJKSA-N 474.993 2.415 30 10 JEEE CC(C)(C)OC(=O)N1CCC(c2nnc(N3CCO[C@H](C#N)C3)n2CCN2CCCC2)CC1 1541200296 BFBAGGLNNCJJNV-LJQANCHMSA-N 459.595 2.217 30 10 JEEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H](C)COc2ccccc2OC)CCOC1 1547918797 HNEQUHAAMIWCCU-AXHZCLLHSA-N 471.558 2.383 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H](CC)CS(=O)(=O)c2ccccc2)ccc1F 1583235194 XTEZXFOSYWUURT-INIZCTEOSA-N 454.545 2.272 30 10 JEEE N#CCCN1CCN(C(=O)c2cccnc2SCC(=O)Nc2ccc3c(c2)OCO3)CC1 1587541321 BVNWTEJOMLOSRN-UHFFFAOYSA-N 453.524 2.213 30 10 JEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCn1nc(C)cc1C 1587931899 FFQZNIOMUYULSG-UHFFFAOYSA-N 455.588 2.168 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1cccc(CN(C)C)c1)[C@H]1CCS(=O)(=O)C1 1588064278 FJNOSUMVELJMKY-QHCPKHFHSA-N 478.622 2.001 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2ccc3c(c2)OCCCO3)CC1 1588891775 SVYATPYFPHPJPF-LJQANCHMSA-N 497.596 2.178 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2cccc(CN(C)C)c2)CC1 1588930198 PLAJGBRNNYKCMC-HSZRJFAPSA-N 464.614 2.248 30 10 JEEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N(C)CCCNC(=O)C1CCC1 1589287565 BHCJSVFESZJGTF-UHFFFAOYSA-N 453.385 2.165 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(CCOC)[C@@H](C)C1 1589567405 DLEGWIOGPUUGAY-FUDKSRODSA-N 457.623 2.278 30 10 JEEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(C(=O)OC)CC1 1593711667 GQMAREUBFPQYEL-UHFFFAOYSA-N 462.572 2.331 30 10 JEEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)c1ccccc1 1593747509 XUWXRIMSZISQCY-AZUAARDMSA-N 463.604 2.401 30 10 JEEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1594733259 PVUAXYCJBJCATK-KURKYZTESA-N 465.620 2.450 30 10 JEEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 1594857104 IPYDRHWTGMXSPV-OAHLLOKOSA-N 454.597 2.078 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CCSC1 1595239910 WRWFNVKDVHJBSH-KNQAVFIVSA-N 462.641 2.283 30 10 JEEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2COCCO2)CCN1CC(F)(F)F 1612916849 GFRYZBVCXCKESU-YJBOKZPZSA-N 450.465 2.305 30 10 JEEE CCN(CC)C(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CCC2)CC1 1615335022 GUVGJEGPFPWQRQ-UHFFFAOYSA-N 499.641 2.368 30 10 JEEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCCCC[C@@H]2c2noc(-c3ccc(F)cc3)n2)C1=O 1632521547 IDRHCHSUWLMDHF-MRXNPFEDSA-N 455.446 2.296 30 10 JEEE C=CC[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1)C(=O)OCC 1632656596 VEIVNZUBDKTIKT-CPUCHLNUSA-N 458.964 2.376 30 10 JEEE C=CCN(CCn1cnc2c1c(=O)n(C)c(=O)n2C)Cc1cc(Br)ccc1F 1641674910 FHNRPZRKIIGJMU-UHFFFAOYSA-N 450.312 2.024 30 10 JEEE C#CCC[C@H](O)CNC(=O)NC[C@H]1CCCN1Cc1ccc(I)cc1 1682015068 YUEYHACDEUODRQ-MSOLQXFVSA-N 455.340 2.329 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1sc(C)nc1C)[C@@H]1CCS(=O)(=O)C1 1689982040 GRKRLMLCXUQWGP-GCJKJVERSA-N 493.655 2.067 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCOC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1689984779 VMAOSIAGSSKEAT-NJAFHUGGSA-N 463.991 2.293 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1689986898 ZGAUSBIUZPISNA-ROUUACIJSA-N 488.614 2.222 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCc1noc(CC)n1 1690029696 HUYQNALEEIZKRQ-CALCHBBNSA-N 453.547 2.310 30 10 JEEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1CCOc1ccc(S(C)(=O)=O)cc1 1690052708 PLDJLZOBBJNLGE-UHFFFAOYSA-N 480.594 2.085 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H](C)c2nccs2)CC1 1690114916 LJUQMNXJPFEUOJ-QGZVFWFLSA-N 470.624 2.364 30 10 JEEE C#CCN1CCN(c2nnc(CSc3ccccc3OC)n2CCNC(=O)c2ccco2)CC1 1690135205 RJRBJEZNPBSZID-UHFFFAOYSA-N 480.594 2.357 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1690245262 GHHLBBYFOKSYQL-BQFCYCMXSA-N 484.523 2.105 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1690672944 ITDKEHXYRKEXLO-GOSISDBHSA-N 455.563 2.012 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[C@@](C)(O)c2ccccc2)C1 1690700329 QRWGEKOCJWQSIM-KKLQWCBXSA-N 460.600 2.259 30 10 JEEE C=CCSCCn1c(-c2cccn2C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1690739914 CPAPNXMETBYYPP-UHFFFAOYSA-N 451.604 2.443 30 10 JEEE COc1ccc(OCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@](C)(C#N)C2)cc1 1697494887 BLYIERIEINVDIL-KKSFZXQISA-N 462.576 2.106 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2C[C@H](C)N2CCN(CC)CC2)c1 1705505575 QKLZOISXAUCPSQ-NRFANRHFSA-N 486.624 2.422 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2CCCN2CCC(O)CC2)c1 1705506986 NXFMUWOZAQQFPG-NRFANRHFSA-N 480.613 2.075 30 10 JEEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1705522560 ACEJPMBVTQKLKP-UHFFFAOYSA-N 490.605 2.260 30 10 JEEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1ccnc(OC(F)F)c1)[C@H]1CCS(=O)(=O)C1 1705560904 OGIRRBBWFCFFGY-HOCLYGCPSA-N 453.515 2.463 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H](C)Oc1ccccc1OC)[C@@H]1CCS(=O)(=O)C1 1705563945 IFPKFJMABAUQNT-RBUKOAKNSA-N 481.578 2.443 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCOc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1705567268 VEKSAAKYKBUCMI-WOJBJXKFSA-N 488.610 2.277 30 10 JEEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1CCn1cc([C@@H]2CCOC2)cn1 1705601677 RIEAMKAIJXTTNS-LJQANCHMSA-N 477.594 2.133 30 10 JEEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccccc1CN1CCC(O)CC1 1705618836 WZODZICRYGSXFL-UPVQGACJSA-N 467.614 2.467 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1CCCN1CCC(O)CC1 1705621210 VUTPKAWMHRYCPM-UHFFFAOYSA-N 468.577 2.026 30 10 JEEE C=C(Br)Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@@H](N2CCCC2=O)C1 1705679078 AXRKIMNNCHEZAC-OAHLLOKOSA-N 453.385 2.306 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1705902905 MBHRSZXLYOAMOQ-HQPYMTOTSA-N 488.633 2.292 30 10 JEEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC(NC(=O)CCC)CC1 1705904366 NBIFCVITRBBGPU-UHFFFAOYSA-N 460.529 2.334 30 10 JEEE CCC(O)(CC)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1708819534 DPWACGXIVLDNKM-UHFFFAOYSA-N 453.591 2.014 30 10 JEEE CN(C)C(=O)[C@@H]1CCCN1CCCn1c(Cc2ccccc2F)nnc1N1CC[C@@](F)(C#N)C1 1710973859 CZMABGMWZHBYBA-GBXCKJPGSA-N 471.556 2.393 30 10 JEEE CN(C)C(=O)[C@@H]1CCCN1CCCn1c(Cc2ccccc2F)nnc1N1CC[C@](F)(C#N)C1 1710973861 CZMABGMWZHBYBA-RDPSFJRHSA-N 471.556 2.393 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc(Cl)nc3)n2C[C@H]2CCS(=O)(=O)C2)c1 1722305510 RIWDVVPZIKUCRV-QGZVFWFLSA-N 498.996 2.484 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1ccc(C)cc1OCCOC)[C@H]1CCS(=O)(=O)C1 1722360736 JHFDBTRIIYOVMI-NRFANRHFSA-N 495.605 2.349 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1C[C@@]1(C)COCCO1)[C@H]1CCS(=O)(=O)C1 1722361218 YBGYSCOFLVMVGI-RXVVDRJESA-N 464.975 2.031 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C(F)(F)F)cc1 1722413705 QBBNZOGPUZUPQX-KRWDZBQOSA-N 471.505 2.138 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCC2CCC(OC)CC2)CC1 1722443969 RPALMMBEYROUIT-UXNJHFGPSA-N 487.645 2.491 30 10 JEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccc(OC)c(F)c2)CC1 1722532827 XOOPZQJKPBUOQZ-HXUWFJFHSA-N 472.565 2.292 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1[C@H]1C[C@@H]1C 1722653849 FEYIOHWSSFFSAU-VDGAXYAQSA-N 461.588 2.393 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2CCN2CCCS2(=O)=O)C1 1722713900 HFWASAIDZDDTFI-SFHVURJKSA-N 451.980 2.415 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCc2cc(OC)c(OC)c(OC)c2CC1 1722729018 VXJKXAGKSPNAPB-UHFFFAOYSA-N 464.588 2.072 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H](NC(=O)CC)C1 1722729620 RBMZWEZOGLVVJE-MRXNPFEDSA-N 481.569 2.243 30 10 JEEE CC(=O)N1CCCN([C@H]2CN(c3nnc(C(C)(C)C)n3Cc3ccc(C#N)o3)C[C@H]2C)CC1 1722776085 XUQZQZHRJQRLQV-UTKZUKDTSA-N 453.591 2.467 30 10 JEEE COCCN1C[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N(C)Cc2nccs2)CC1=O 1730780907 HFDLNCQWFLFMBE-QGZVFWFLSA-N 451.556 2.405 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)N[C@H](C)c1ccccc1 1740671769 OCBOIPQPLVBIBT-CTNGQTDRSA-N 488.658 2.200 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ccsc1Br 1740678182 DNHOZWFEXOSQGS-UHFFFAOYSA-N 452.378 2.472 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@](C)(O)CCOC)CC1 1740692211 HRDXZLXPSZVUKZ-OAQYLSRUSA-N 480.382 2.389 30 10 JEEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 1740715188 FHWNQQKERPIQPH-GHTZIAJQSA-N 467.647 2.298 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCc1ccccc1[N+](=O)[O-] 1740717115 KBEZMOWJKCUHKJ-QGZVFWFLSA-N 463.585 2.134 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CCOCC)[C@@H](CC)C1 1740742946 GZCDBVCNRKKEIP-HOTGVXAUSA-N 455.401 2.075 30 10 JEEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2cc(OC)c(OC)c(OC)c2CC1 1740782096 CBDICLVZVGALSI-KRWDZBQOSA-N 476.599 2.387 30 10 JEEE C=CC1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CCS(C)(=O)=O)CC1 1740837908 ZUVXUZUQJIWTCV-UHFFFAOYSA-N 456.572 2.122 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CC(=O)N(C)C[C@H]1C 1740988150 VBPNOIWLHGRSMS-JKSUJKDBSA-N 477.656 2.399 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1coc(-c2ccccc2)n1 1741924705 DBEHRUATXNYQMF-VBKZILBWSA-N 459.507 2.034 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1CC1(C(N)=O)CCOCC1 1748650153 YBMTWSCQZNGIHX-CQSZACIVSA-N 476.375 2.456 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCSCc1ccc(C)cc1 1748672515 UTNATHUQNKSHHE-UYAOXDASSA-N 477.656 2.311 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCN1CCN(C)C(C)(C)C1 1748969452 VUJQBMHBYCWPIU-NHCUHLMSSA-N 460.667 2.309 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCCN2CCC(O)CC2)CC1 1748978005 HLZGCZYLYOJTBI-UHFFFAOYSA-N 474.556 2.149 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2c(CC)nn(C)c2OC)CC1 1748983471 PPRYWWKPYGWCSI-UHFFFAOYSA-N 454.966 2.102 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCn2ccnc2C)CC1 1749006592 TXALBSHBVBPRPC-UHFFFAOYSA-N 452.950 2.164 30 10 JEEE C#CCSCCn1c(-c2cccc3cccnc23)nnc1N(C)CC(=O)N1CCOCC1 1749029256 PNLRPCFWJRDYCR-UHFFFAOYSA-N 450.568 2.155 30 10 JEEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 1749103812 DSFAMCYHPUFOHV-CVEARBPZSA-N 489.436 2.111 30 10 JEEE C=CCOc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCN(C(=O)C(=O)NC3CC3)CC2)cc1 1749685565 HANNXTZCUTXDSJ-UHFFFAOYSA-N 480.613 2.407 30 10 JEEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1C1CCC1 1749756132 SUCOEAMPEQRTIQ-ROUUACIJSA-N 455.650 2.299 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC1=CCCOC1)[C@@H]1CCS(=O)(=O)C1 1760182588 KYNHSIMZUDTOHK-OAQYLSRUSA-N 483.594 2.121 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CCOCC(=C)C)[C@H]1CCS(=O)(=O)C1 1760187651 XNUJXPQIXSKXEF-KRWDZBQOSA-N 464.538 2.367 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCCN(C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1760188154 IPCVGLNJGRDTMQ-FQEVSTJZSA-N 452.584 2.426 30 10 JEEE C#CCN(CCOC)c1nnc(Cn2ccc3ccccc32)n1CC1(N(C)C)CCOCC1 1760250350 GNRYKGFGYHKDHI-UHFFFAOYSA-N 450.587 2.478 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CCOCCN(C)C)CC1 1760256502 YHGSXAYKMPBUGU-UHFFFAOYSA-N 475.435 2.349 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCCc2ccc(OC)cc2)CC1 1760264655 BGQQHRQVPAKZJN-UHFFFAOYSA-N 478.597 2.121 30 10 JEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCN(C)C(=O)OC(C)(C)C)CC1 1760382366 OTHBYPMSEXEJTJ-INIZCTEOSA-N 456.613 2.302 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)O[C@H](c2ccccc2)C1 1760515566 YAWSGYJWXCYEQY-HKUYNNGSSA-N 461.526 2.194 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCS[C@@H](CC)C1 1760556897 SUMKDSNJKYQUMS-SFHVURJKSA-N 460.629 2.449 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@H](c1ccco1)N(C)C 1761466113 HGXUROYKYDOOPB-VQIMIIECSA-N 471.587 2.292 30 10 JEEE CCc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1764932107 GRYJYUHMPZVLLB-HXUWFJFHSA-N 477.535 2.297 30 10 JEEE CN(C)C1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCCN(S(C)(=O)=O)CC2)CCCC1 1766901214 GHUCJSYJZHOQLY-UHFFFAOYSA-N 471.631 2.163 30 10 JEEE C=CCN(CC=C)C(=O)[C@@H](CCSC)NC(=O)[C@H]1CC(=O)N(c2ccccc2C(=O)OC)C1 1862182784 ZLHSVAKDLJJBAO-PKOBYXMFSA-N 473.595 2.265 30 10 JEEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1ccc([N+](=O)[O-])cc1 1862630307 QSUXJFLBAYLBRB-LJQANCHMSA-N 453.407 2.038 30 10 JEEE C=CCN(CC=C)c1nc(NC(=O)c2cc(OC)cc(OC)c2)n([C@@H]2CCS(=O)(=O)C2)n1 1870002561 OTHISLPYXLAVCM-MRXNPFEDSA-N 461.544 2.086 30 10 JEEE C#CCOc1cn(CCCn2ccnc2)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870561527 QYIAODUPGSSDIK-UHFFFAOYSA-N 461.566 2.478 30 10 JEEE C=CCN(CC=C)c1nc(=NCCc2cnc[nH]2)nc(Nc2ccc(N3CCN(C)CC3)cc2)[nH]1 1871656372 ATBRTCZCDYQUSV-UHFFFAOYSA-N 474.617 2.345 30 10 JEEE COc1ccccc1OCC#CCNC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(NC(C)=O)cc1 1891656551 FRFIZBDICRKITN-JOCHJYFZSA-N 499.589 2.395 30 10 JEEE Cc1ccnc(N2CCN(C(=NCCCN(C)c3ccccc3)NC[C@@H]3COCCO3)CC2)c1 2087917230 GWJOKUOZGBRGNW-XMMPIXPASA-N 466.630 2.400 30 10 JEEE CC(C)(C)OC(=O)NC1CC(NS(=O)(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2255753468 QCDPAVSXTWCCIR-UHFFFAOYSA-N 452.382 2.320 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N=[S@](C)(=O)CCNC(=O)OC(C)(C)C)n1 2267494296 RDRKVOGYARCUHS-JGCGQSQUSA-N 467.397 2.452 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC(C)(C)CCNC(=O)OC(C)(C)C 2267516574 GIKHTEFXKPCONT-UHFFFAOYSA-N 450.389 2.451 30 10 JEEE CC(C)(C)OC(=O)NCCO[C@@H]1CCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)C1 2267559461 PHTUFGRQYVDWAG-OAHLLOKOSA-N 450.341 2.335 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCN(S(=O)(=O)Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2267706877 HIDKVUXNMQMYHW-GOSISDBHSA-N 466.409 2.415 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](C2CC2)[C@@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2268679399 FHCNPWBJBIGILH-UONOGXRCSA-N 464.397 2.233 30 10 JEEE Cn1nc(C(=O)NCc2ccnc(NC(=O)OC(C)(C)C)c2)cc1B1OC(C)(C)C(C)(C)O1 2281973562 BDXYFPAHYFCRGV-UHFFFAOYSA-N 457.340 2.391 30 10 JEEE Cc1nn(C)c(C(=O)N[C@H](C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2281988675 POLQDDZUWWNXHB-GDBMZVCRSA-N 462.400 2.403 30 10 JEEE Cc1nc(C(=O)N2CCN(CCNC(=O)OC(C)(C)C)CC2)c(B2OC(C)(C)C(C)(C)O2)s1 2282031572 ULVRRMRFRUVJAS-UHFFFAOYSA-N 480.440 2.033 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 2282045430 WPDNJAOBYCBXKW-MQVJKMGUSA-N 460.384 2.380 30 10 JEEE CO[C@@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)[C@@H](CNC(=O)OC(C)(C)C)C1 2282192821 COCHBOJUFWLZKE-IAGOWNOFSA-N 463.384 2.458 30 10 JEEE CN([C@H]1CCCN(C(=O)OC(C)(C)C)C1)S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282298507 NBMWOGKFFFGXGK-KRWDZBQOSA-N 481.424 2.401 30 10 JEEE C[C@H]1C[C@@H](NS(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CCN1Cc1ccccc1 2282495343 LCEDJOMRJCYSAR-HKUYNNGSSA-N 474.436 2.051 30 10 JEEE CCn1cc(C(=O)N2C[C@@H](C)[C@@H](CNC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2282541356 WVOQTTQYORHYEV-CVEARBPZSA-N 462.400 2.435 30 10 JEEE CN(C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2282568902 JTIGQWPPDSSEMY-INIZCTEOSA-N 462.400 2.438 30 10 JEEE Cn1cc(C(=O)N[C@@H]2C[C@@H]3C[C@H](NC(=O)OC(C)(C)C)[C@@H]3C2)c(B2OC(C)(C)C(C)(C)O2)n1 2282575469 CWXVKONFZVAYES-ANQUJSFKSA-N 460.384 2.141 30 10 JEEE Cn1cc(C(=O)N2CCC[C@@H](CCNC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2282577354 DDRJSDAOGQIVCH-INIZCTEOSA-N 462.400 2.486 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1CO 2282577693 IGIDTBPHPOHEPO-HUUCEWRRSA-N 481.424 2.098 30 10 JEEE Cc1c(C(=O)N2CC[C@H](C)N(C(=O)OC(C)(C)C)CC2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282600359 XEKKVCQBBQRUBA-HNNXBMFYSA-N 462.400 2.499 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)[C@H]2CC[C@@H]21 2282612845 ICQIYIWFUQVZAF-IKGGRYGDSA-N 458.368 2.294 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)[C@H]1C1CC1 2282695418 NMUXSESMOCXSMK-FUHWJXTLSA-N 458.368 2.294 30 10 JEEE COC[C@H](ONC(=O)OC(C)(C)C)C(=O)N1CCc2sc(B3OC(C)(C)C(C)(C)O3)cc2C1 2283986567 FORNSULMMBVULU-HNNXBMFYSA-N 482.408 2.403 30 10 JEEE CC(C)(C)OC(=O)NC[C@H](CO)C(=O)N1CCc2cc(B3OC(C)(C)C(C)(C)O3)ccc2C1 2284059832 IYCAYSMZEWSPLY-GOSISDBHSA-N 460.380 2.004 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2C[C@]2(CNC(=O)OC(C)(C)C)C1 2288246605 DYSYFILMJHLBON-WNSKOXEYSA-N 460.384 2.015 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2OCC[C@@]2(C(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)C1 2296392570 PMZRFMCFOKRJRQ-WAIKUNEKSA-N 459.352 2.345 30 10 JEEE COC(=O)C1(Oc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C#N)CN(C(=O)OC(C)(C)C)C1 2364930105 QXVZNFVLRJZPJT-UHFFFAOYSA-N 458.320 2.399 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CC(NC(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)C[C@H](C2)C1 2365556522 HDCRIALUPBMQKQ-GJZGRUSLSA-N 460.384 2.474 30 10 JEEE COc1ccc(OC)c(-c2nnc3ccc(OCCNC(=O)COc4ccccc4C#N)nn23)c1 13706851 BBECOMVZDYSZNY-UHFFFAOYSA-N 474.477 2.254 30 10 JEEE C[C@@H]1CN(C(=O)Cn2cnc3sccc3c2=O)/C(=N\c2cccc(S(=O)(=O)N(C)C)c2)S1 102335783 BRARAFCWADTYLO-KKHYZMRDSA-N 491.620 2.360 30 10 JEEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(F)cc2NC(=O)c2ccc(OC)cc2)CC1 523951782 KFNDRNPVKIGHHP-UHFFFAOYSA-N 454.502 2.147 30 10 JEEE CNS(=O)(=O)c1ccccc1N1CCN(C(=O)[C@H](Oc2ccccc2C#N)C(C)C)CC1 524351423 ZQQUARKQQFVOOR-JOCHJYFZSA-N 456.568 2.219 30 10 JEEE CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)/C(=C(/C)NCCC(=O)Nc3cc(C)no3)C(=O)[C@]12C 1075947739 LDDBUUPMBUHNHJ-ZICVCWAASA-N 495.488 2.483 30 10 JEEE CC(=O)N1CCN(c2cccc(NC(=O)c3cc(S(=O)(=O)CC#N)ccc3F)c2C)C1=O 1157682270 DEVNAIWALQBORZ-UHFFFAOYSA-N 458.471 2.472 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CC(=C)Br)c1 1286309254 IYDKJEBSZYWUBC-INIZCTEOSA-N 457.332 2.194 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC)n2C[C@@H]2CCCN2c2cc(NC)ncn2)c1 1286311895 RLYMOIUMZDGBOH-FQEVSTJZSA-N 473.585 2.397 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCN2CCOC(C)(C)C2)CC1 1286470190 USOOGEQQNNEOLY-UHFFFAOYSA-N 479.629 2.013 30 10 JEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N(C)C[C@@H](c1cccs1)N1CCOCC1 1286504838 QLMNMMFFXXCKGJ-MSOLQXFVSA-N 474.656 2.167 30 10 JEEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 1286585617 KXTYKWZCPRUCFG-SJORKVTESA-N 461.592 2.023 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@](C)(C(=O)NC)C1 1286815105 LLTPECRMPPVEFE-NRFANRHFSA-N 483.541 2.110 30 10 JEEE CC(C)SCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1288418654 ATOMKEGPRUJUGP-GOSISDBHSA-N 465.587 2.490 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1CCCN1CCCO 1288517983 HPBWNLJRMNZYRF-PZJWPPBQSA-N 467.622 2.037 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1300268559 RZZPSUBYCVGBSQ-HOTGVXAUSA-N 465.480 2.037 30 10 JEEE C#CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@H](OCCOC)C1 1300403613 NYGLIIGRXSVPMM-SFHVURJKSA-N 450.543 2.330 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Cl)n1CC1(S(C)(=O)=O)CCC1)[C@H]1CCS(=O)(=O)C1 1300488261 PVDGWFVKABRMNZ-INIZCTEOSA-N 497.042 2.193 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2CC(=O)N(C)C2CCCCC2)CC1 1300703797 SRKBHPGYJGISMX-UHFFFAOYSA-N 464.614 2.424 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCOC(C)C)CC1 1300732360 MSKYPDBDYQSYTM-BGYRXZFFSA-N 488.633 2.440 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1ccco1)N1CCCC1 1300916209 UTUZWRDPJMNBLM-FPOVZHCZSA-N 492.646 2.444 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccccc1C(F)(F)F 1301298089 YKHOJBXZWTUGKI-KRWDZBQOSA-N 473.521 2.495 30 10 JEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(F)cc1C)C1CC1 1301327923 ZZOBRIKVWLZHPH-HXUWFJFHSA-N 463.579 2.456 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC(NC(=O)c2ccc(C)s2)CC1 1301506260 ICIIKVIIEBRJGQ-UHFFFAOYSA-N 479.610 2.335 30 10 JEEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N(C)Cc1cccc(C(F)(F)F)c1 1301509917 QBXZIYZKZYVWOP-UHFFFAOYSA-N 450.465 2.358 30 10 JEEE CSC1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)CCOCC1 1302599775 BVPHIQQXWMXITK-KRWDZBQOSA-N 490.655 2.199 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCCN(c3ccccc3C#N)CC2)n1C[C@@]1(C)CCCO1 1303851413 DJRAELWQXJGGGN-WZONZLPQSA-N 487.630 2.046 30 10 JEEE C#CCCCn1c(Cc2ccccc2C)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1358930742 CFYKFMYQROUOKI-JOCHJYFZSA-N 471.627 2.222 30 10 JEEE C#CCN(c1nnc(CN2CCCC2=O)n1CC[C@@H](C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1358966656 TVFWFAHASHADAZ-CTNGQTDRSA-N 469.611 2.221 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@H](OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1358967015 BMKFHXIVHGCWRM-PXNSSMCTSA-N 462.547 2.048 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2Cc2cccc(CS(C)(=O)=O)c2)CC1 1359037644 RJUNAMLKEPOJGL-UHFFFAOYSA-N 469.636 2.279 30 10 JEEE C#CCSCCn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1359059878 DBXKIZAYUCGODN-PZJWPPBQSA-N 453.612 2.495 30 10 JEEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1359126436 POFKYZYPRMDZFS-UHFFFAOYSA-N 453.469 2.381 30 10 JEEE C=CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1C[C@]1(C)CN(C)C1=O 1359279141 UXJWKBZFYJWJPF-IBGZPJMESA-N 451.369 2.163 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CC[C@@H](N3CCN(CC)CC3)C2)cc1 1359306570 KQYQWTBUQTVCNC-JOCHJYFZSA-N 481.645 2.246 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCNC(=O)c2cc[nH]n2)C1 1359326161 ULPVEJNVMJVPSS-ZHALLVOQSA-N 457.579 2.131 30 10 JEEE C#CCN1CCC[C@H](NC(=O)c2cc(S(=O)(=O)N(CC)CC)ccc2Br)C1 1455704763 MJRQOSJIXNSYCE-HNNXBMFYSA-N 456.406 2.307 30 10 JEEE N#Cc1cc2c(n(CC(=O)NC(=O)NCc3ccccc3)c1=O)CCN(Cc1ccccc1)C2 1459178180 CFGMKRAUPVDBCZ-UHFFFAOYSA-N 455.518 2.304 30 10 JEEE C#CCOc1ccc(F)cc1NC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 1465779376 GABIVMUCGKFWAW-GOSISDBHSA-N 454.506 2.255 30 10 JEEE CN(C)S(=O)(=O)c1cc(NC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)ccc1F 1466511624 GJAZNOWTJGRVDP-SFHVURJKSA-N 459.503 2.265 30 10 JEEE CN(C)[C@@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](C#N)C1)c1cccs1 1503379873 DRSNLYMOPADPMC-HOTGVXAUSA-N 471.612 2.363 30 10 JEEE C#CCCCn1c([C@H](C)CC)nnc1N1C[C@@H]2[C@@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1507575209 RCORTLHIFMUEJU-BDXSIMOUSA-N 465.620 2.332 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1Br 1507710712 JZHQYLZSMDWQPK-INIZCTEOSA-N 467.389 2.077 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCSc2ccccc2)CC1 1507733683 IAEPVZBJMOWPDL-UHFFFAOYSA-N 454.600 2.174 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCC[C@H]2CCCCO2)CC1 1507741029 JVEAHFUVESEFLO-BDTNDASRSA-N 473.618 2.317 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCCC[C@@H]1CC 1507820734 LKOZGBSNWUPBTN-VQTJNVASSA-N 468.668 2.278 30 10 JEEE C=C(C)COCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(C(=O)NC)CC1 1507842904 FFTJSXORQNRHDB-UHFFFAOYSA-N 451.531 2.149 30 10 JEEE C=CCn1c(Cc2ccccc2F)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1508062315 AJLWVTKHQVALMV-QRQLOZEOSA-N 491.589 2.321 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1508139314 FNFNTKQXVCDUDT-HXUWFJFHSA-N 497.625 2.227 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOc1cccc(C(F)(F)F)n1 1509950230 DXYITHOMTOTAJW-KBPBESRZSA-N 472.493 2.411 30 10 JEEE CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1Cc1cccnc1OCC(F)F 1516588590 BQCSESSCKRJZQH-UHFFFAOYSA-N 484.511 2.495 30 10 JEEE CCN(CC)S(=O)(=O)c1cc(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)n(C)c1 1523711997 BNQAILUHYOIOEE-UHFFFAOYSA-N 459.572 2.442 30 10 JEEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1539089860 UMRJPMJQAGFDLA-SFHVURJKSA-N 462.595 2.340 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1CCc1ccc(OC)c(OC)c1OC)[C@H]1CCS(=O)(=O)C1 1539203636 SXYVWTKNGOXJPC-SFHVURJKSA-N 490.626 2.471 30 10 JEEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1CC(C)(C)CC=C)[C@H]1CCS(=O)(=O)C1 1539230106 KFSDERGRYHEQKZ-KRWDZBQOSA-N 475.640 2.499 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2Cc2ncnn2C(C)(C)C)CC1 1539428131 NFGJNSRXLQMJQI-UHFFFAOYSA-N 496.019 2.012 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC(C)(C)N2CCCCC2)CC1 1539489143 HNGDTXGSDQUDES-VXKWHMMOSA-N 486.661 2.232 30 10 JEEE C=CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1)c1ccccc1 1539939833 KSNNNHUBYFVVGJ-CZTZKLFOSA-N 483.642 2.425 30 10 JEEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2ccccc2OC)CC1 1540004828 GWTATMRYQIDBKX-HXUWFJFHSA-N 459.616 2.477 30 10 JEEE C=CCCOCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1540027180 RECZAQJQQWXQLE-SFHVURJKSA-N 472.615 2.500 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1540863013 NQILJTACCRLWKI-NHCUHLMSSA-N 499.635 2.464 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCOCC)C1 1540891974 CLUKGNKUDITYEZ-MSOLQXFVSA-N 451.568 2.404 30 10 JEEE CC(C)NS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)C[C@@H](C)C#N 1541104862 BNGYPBDNFDRKBY-INIZCTEOSA-N 456.576 2.259 30 10 JEEE C=CCO[C@@H]1CCN(C(=O)CS[C@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)C1 1546131678 IQTQZPYTTSYGJL-IEBWSBKVSA-N 458.584 2.348 30 10 JEEE CCOCc1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CC(=O)NCC(F)(F)F 1548161249 HPOPXBGFXDWCDJ-UHFFFAOYSA-N 465.480 2.081 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(C(=O)N2CCCC2)n1CCc1ccn(C)n1 1555544347 BRGYTURDIJLCSR-UHFFFAOYSA-N 462.558 2.015 30 10 JEEE C=CCNS(=O)(=O)c1ccc(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)cc1 1570168181 ROMBUWSDKHWNQZ-UHFFFAOYSA-N 451.495 2.196 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc(Br)s1 1587562770 STTGFHCWVRMCEG-NWDGAFQWSA-N 460.423 2.413 30 10 JEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1587765396 GDOBYQITNWVKIU-FQEVSTJZSA-N 461.632 2.213 30 10 JEEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)COC)CC1 1587898232 LCYJSFWXOSUSNH-SFHVURJKSA-N 460.579 2.059 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCC(=O)N[C@@H](C)CC)CC1 1588763308 UBGVGUIHUUNGHM-SFHVURJKSA-N 454.575 2.022 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(NS(=O)(=O)CC)CC1 1589570443 VEJORIVUQGRWAZ-UGKGYDQZSA-N 491.662 2.029 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](CNC(C)=O)C1 1589570780 WHXNTNFALIRFFX-GIWBLDEGSA-N 455.607 2.473 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCC1(O)CCOCC1 1595303508 UMZYCNGQFXMRAV-LJQANCHMSA-N 495.621 2.157 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCC[C@@H](CC(N)=O)C1 1595506523 CDLIUMZKNUXCGW-ZDUSSCGKSA-N 479.354 2.241 30 10 JEEE C=CCNC(=O)Cn1c(N2CC[C@@](O)(Cc3cccc(Cl)c3)C2)nnc1[C@]1(OCC)CCOC1 1595603129 YLJCTJBAYDZGSE-RPWUZVMVSA-N 490.004 2.070 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccc3F)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1595738055 KSBGVPCFQVLAMQ-LINNUKDLSA-N 466.517 2.316 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)Cc1nccs1 1595804500 ALNRHRVRQAAKOQ-KRWDZBQOSA-N 461.569 2.484 30 10 JEEE C=CCn1c(S)nnc1-c1sc(NC(=O)Cc2cccc(OCC(=O)NC)c2)nc1C 1616296059 RAEPXKJJYZAQGA-UHFFFAOYSA-N 458.569 2.491 30 10 JEEE CN(C)CCN(Cc1cccc(C#N)c1)C(=O)Cn1c(CS(C)(=O)=O)nc2ccccc21 1626144911 BNNHBNNIRVEVME-UHFFFAOYSA-N 453.568 2.043 30 10 JEEE C=CCCC(=O)[C@@H]1CCCN1C(=O)C[C@@H]1CS(=O)(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 1628637510 SGCOFSOAELGEJU-VUHPKUFZSA-N 454.589 2.183 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)NC[C@H](O)COc3ccccc3Br)cc2C1=O 1635492097 SDJPVBFYRTVVKC-AWEZNQCLSA-N 459.296 2.401 30 10 JEEE COc1cc(NC(=O)NCCn2cnc(C#N)n2)c(C(=O)N2[C@H](C)CCC[C@H]2C)cc1OC 1672893937 BTLIABBPXFRULC-HUUCEWRRSA-N 455.519 2.392 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2CC2([S@@](C)=O)CC2)c1 1689871743 DIRUCNDARPXECW-MGBGTMOVSA-N 462.579 2.231 30 10 JEEE C#CCCCn1c(Cc2ccccc2OC)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1689933225 FGUPULBIQIUYMH-UHFFFAOYSA-N 492.624 2.231 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1CCCN1CC)[C@@H]1CCS(=O)(=O)C1 1689983498 CJBSQVASRBLVMK-VQTJNVASSA-N 487.626 2.073 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1CCNc1nccc(C(F)(F)F)n1)[C@@H]1CCS(=O)(=O)C1 1689989217 BZMJLFPVTYOABV-OAHLLOKOSA-N 499.563 2.414 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@](C)(O)[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1689992385 KHJVMUQOKXDPKV-MONBJTKQSA-N 462.591 2.432 30 10 JEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1C[C@H]1NC(=O)CC1(C)C)[C@@H]1CCS(=O)(=O)C1 1689992946 RJVRIYJNWKOQPJ-RTBURBONSA-N 490.029 2.064 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC1(C(N)=O)CCOCC1 1690005751 BIOFAXUSYHRPBA-KRWDZBQOSA-N 451.596 2.486 30 10 JEEE C#CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](OCCOC)C1 1690174373 BUPOOLJKYTWIIW-MOPGFXCFSA-N 495.646 2.195 30 10 JEEE C=C(Br)Cn1c(COc2cccc(C)c2)nnc1N(C)CCNS(C)(=O)=O 1690232292 GKXXWQBDWPONKU-UHFFFAOYSA-N 458.382 2.060 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CCC(C(=O)NCCOC)CC1 1690244995 BIYUENUZLDKRSS-NJYVYQBISA-N 461.607 2.132 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1690249118 UJTYAIGUGLFGBO-DENIHFKCSA-N 474.631 2.011 30 10 JEEE C=C(Cl)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(CC(=O)NCCOC)CC1 1690335908 MZOAHIDIZICAJB-UHFFFAOYSA-N 453.374 2.236 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc(-c2cnccn2)n1CCN1CCN(C(C)=O)CC1 1690570059 UMBCYYQAEWWAMO-UHFFFAOYSA-N 464.549 2.231 30 10 JEEE C=CCN(CC=C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(N2CCOCC2)CC1 1690587125 ZLXULWQXNLNNRS-UHFFFAOYSA-N 457.600 2.392 30 10 JEEE C=CCN(CCOC)c1nnc(-c2ccccn2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1690615312 ACYAFXMBRRVHKN-QUCCMNQESA-N 460.604 2.183 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc2c1OCCCO2 1690622642 UKZIPNFCJMCLIX-SFHVURJKSA-N 462.572 2.029 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@H](CN2CCOCC2)C1 1690660863 PSCKJZQJDWSLPX-RBUKOAKNSA-N 472.565 2.018 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1690665645 KVARHCMRHJSNQF-GOSISDBHSA-N 482.585 2.150 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCc2ccc(Cl)cc2C1 1690714784 UZJUHVUAEDBLHX-UHFFFAOYSA-N 463.991 2.331 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C(=O)NCC)CC1 1690719943 WCCKWKPPNKGTAW-UHFFFAOYSA-N 466.995 2.051 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCCN(Cc2ccccc2)CC1 1690723955 FBPOVDXZABTSQM-QFIPXVFZSA-N 473.643 2.485 30 10 JEEE C=CCSCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1690740355 RHMNVQHTZCCOSB-NRFANRHFSA-N 467.599 2.391 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCc1ccn(C)n1 1691007970 CJSUCZRBNYYICE-NRFANRHFSA-N 461.618 2.215 30 10 JEEE CC[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H](C)C#N)NC(=O)OC(C)(C)C 1694387083 ATOOJOFPHSRMPZ-BZUAXINKSA-N 454.597 2.079 30 10 JEEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC[C@@H](F)C1 1696689060 DMIUXNMFCDULJA-ZCNNSNEGSA-N 476.578 2.257 30 10 JEEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1705509933 PUQUONHZLJNNIG-QFIPXVFZSA-N 497.625 2.310 30 10 JEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)c1cccc(O)c1 1705516552 DQDDRXIBKISFKH-FXAWDEMLSA-N 461.588 2.318 30 10 JEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(OC)c1 1705516609 FRCBWCWOAAKNET-FQEVSTJZSA-N 461.588 2.060 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccc(C)cc1)N1CCOCC1 1705613226 XMTKJIDWPUEESP-FGZHOGPDSA-N 471.627 2.022 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@](C)(O)c2ccco2)CC1 1705632524 SQQWSGOADXLMKF-VWLOTQADSA-N 462.554 2.403 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3)n2CCNC(=O)C(C)C)CC1 1705635843 NETYFDZMBDFKFE-UHFFFAOYSA-N 459.392 2.235 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2Cc2conc2COC)CC1 1705639949 ZPQAKZVKXPUVSK-IBGZPJMESA-N 499.616 2.331 30 10 JEEE C#CCN1CCN(c2nnc(CCCOc3ccc(Cl)cc3C)n2CCn2cncn2)CC1 1705641915 YWOFUXUBXYEPRS-UHFFFAOYSA-N 468.993 2.298 30 10 JEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1705652632 HLLSXPXUZWEQLY-IBGZPJMESA-N 456.620 2.005 30 10 JEEE C=C(Br)Cn1c(-c2ccccc2OC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1705683587 MGOBSERIGWOVNM-OAHLLOKOSA-N 475.347 2.335 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(OC)cc2)nnc1N(C)CC(=O)N1CCOCC1 1705709045 KFUJSMORJGDDQA-YADARESESA-N 485.585 2.142 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCN(CC(F)(F)F)C1 1705709601 BQHBBKROERPRRP-HUUCEWRRSA-N 452.547 2.175 30 10 JEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1csc(C(C)C)n1 1705844062 VBNFZPQFASOWLU-MRXNPFEDSA-N 454.622 2.056 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1705899142 JCQDOTAWAZYUFC-YLJYHZDGSA-N 458.994 2.448 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](C(C)(C)C)C1 1705904824 ZMFQQDRNYRNFGP-ZWKOTPCHSA-N 492.621 2.140 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2sccc2[C@@H]1CC 1705936120 KIRVTYHFQWSXHG-RDJZCZTQSA-N 484.669 2.356 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N(C)[C@H]1CCCc2c1cnn2C 1705937315 PVIBDGIRSMFOBA-IBGZPJMESA-N 455.588 2.112 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2cccc(OC)c2)CC1 1705938407 XKBQLBOMMDTUCV-UHFFFAOYSA-N 499.641 2.076 30 10 JEEE N#Cc1cccc(-c2nnc(N3CCS(=O)(=O)CC3)n2Cc2cccnc2OCC(F)F)c1 1712878524 GLXMHZULAREDQZ-UHFFFAOYSA-N 474.493 2.139 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCNc1nccc(C(F)(F)F)n1 1722293611 SBTYKAKKXASHQR-GFCCVEGCSA-N 462.436 2.385 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1722302595 JPBYRONCOUUXIZ-WFJJUKAGSA-N 483.573 2.334 30 10 JEEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H](C(C)C)N1CCOCC1 1722357464 DTJCJMLMRBHLLS-HSALFYBXSA-N 460.623 2.475 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H](C)CN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1722360410 HBMQTLLWWAGKBL-FPOVZHCZSA-N 456.616 2.089 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCOc1ccccc1C)[C@@H]1CCS(=O)(=O)C1 1722370097 LUZUZHVIKKSSKH-VWPQPMDRSA-N 488.610 2.016 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1722371147 UHXWGNFJYSMNMT-MSOLQXFVSA-N 462.547 2.192 30 10 JEEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1CC1(c2ccccc2)CCOCC1 1722427020 JSNBUNDGFNXKDT-UHFFFAOYSA-N 451.571 2.235 30 10 JEEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1CCc1ccc(S(C)(=O)=O)cc1 1722431598 MJAXNJGTYXYHHN-UHFFFAOYSA-N 455.540 2.112 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)c1nccs1 1722517102 HCTCLFNPPNWLLV-CVEARBPZSA-N 454.622 2.274 30 10 JEEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1722524265 XLGHSTNVXZFBEO-RBUKOAKNSA-N 462.595 2.467 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1722587899 DKNRJWUZLDJRRS-MOPGFXCFSA-N 465.664 2.472 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCC2(O)CCOCC2)C1 1722712160 ZYOKYDLURQXBFW-AUSIDOKSSA-N 450.580 2.032 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1722723616 AVTQZAIDZBJLHN-KURKYZTESA-N 491.589 2.120 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCN([C@@H](C)c2cccc(OC)c2)CC1 1722728816 ZEOQKADTZXOJSL-IBGZPJMESA-N 499.641 2.171 30 10 JEEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccs1 1729409274 CKYWHVPDJIHHHQ-IBGZPJMESA-N 472.596 2.229 30 10 JEEE C#CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC(C(=O)NC)CC1 1740571577 QERVRVHXGADYIC-UHFFFAOYSA-N 461.570 2.441 30 10 JEEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1nc2cc(OC)ccc2n1C 1740631912 MUOJGALGQBMTNR-RUZDIDTESA-N 462.554 2.335 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@H](C)N2CCN(CC)CC2)CC1 1740699020 YEYMERNWEMEFHY-HXUWFJFHSA-N 487.599 2.328 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@H]2CCCN2CC)CC1 1740703194 JJZVCLCLKKTJHW-NRFANRHFSA-N 450.587 2.404 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CC[C@H]2CCOC2)CC1 1740703319 NRCHRNNKIDMERB-SFHVURJKSA-N 497.596 2.363 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCCCC2=O)CC1 1740704054 JFDPEYZEPSITNI-UHFFFAOYSA-N 473.581 2.185 30 10 JEEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN(Cc2ccc3c(c2)OCCO3)CC1 1740961708 WXBQCTZNQCQLLA-UHFFFAOYSA-N 468.602 2.262 30 10 JEEE C=CCOc1ccc(Cn2c([C@H]3CCCO3)nnc2N2CCC(NS(C)(=O)=O)CC2)cc1 1740969084 STYWEXOKUVWMJX-HXUWFJFHSA-N 461.588 2.261 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](c2ccccc2C)C1 1740985157 CPSUDWFSGGYOFE-HXUWFJFHSA-N 473.599 2.001 30 10 JEEE C=CCSCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1741001999 FXBOAZXXMBKEQY-UHFFFAOYSA-N 489.045 2.369 30 10 JEEE CC(=O)N1CCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CC12CCCCC2 1741040331 GVWRVVHRZGSSGC-QZQOTICOSA-N 483.617 2.473 30 10 JEEE Cc1cc([C@](C)(O)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCS(=O)(=O)CC2)c(C)o1 1742093298 ASHWYXNXXVTTQY-JOCHJYFZSA-N 455.540 2.169 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1CCc1ccncc1)[C@H]1CCS(=O)(=O)C1 1748823740 ASECBJFYMGLBBZ-IBGZPJMESA-N 469.542 2.261 30 10 JEEE C#CCN(CC#CC)c1nnc(COc2ccc(C)cc2)n1CCN/C(O)=C1/N=CC=CC1=O 1748903178 UCBVTLAERAFHIF-VHXPQNKSSA-N 458.522 2.155 30 10 JEEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ccc(S(C)(=O)=O)cc1 1748925286 GIUFPRRNBBEJFR-UHFFFAOYSA-N 479.610 2.363 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC(=O)NCC(F)F)CC1 1749006418 NBXVQDCLMNZEDI-UHFFFAOYSA-N 482.894 2.085 30 10 JEEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1749037335 AXSXJRZBOSFUHJ-QGZVFWFLSA-N 488.608 2.303 30 10 JEEE C=C(Cl)Cn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1749261372 PZUBGXHJGWIQTM-QGZVFWFLSA-N 488.976 2.032 30 10 JEEE CC(C)(C)NC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCn2ccnn2)CC1 1750488025 HWPJTRIUSUIWBR-UHFFFAOYSA-N 492.588 2.041 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC)n2C[C@@H]2C[C@H](F)CN2Cc2nccn2C)c1 1760127760 LNVFUFPLCUKADR-FPOVZHCZSA-N 478.576 2.243 30 10 JEEE C#CCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1760133834 REHDJNBPMYSFMU-UHFFFAOYSA-N 492.609 2.173 30 10 JEEE C#CCN(c1nnc(CC)n1C[C@H](C)Cc1ccc(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1760186071 KADDFVXBSVLYIM-IEBWSBKVSA-N 460.600 2.363 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCCN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1760188425 KRRNOGUBGGKRCM-FQEVSTJZSA-N 456.616 2.151 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CC(C)(C)CN(C)C)[C@H]1CCS(=O)(=O)C1 1760191296 FDJDSGJSRGNSFX-FQEVSTJZSA-N 473.643 2.380 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(C)(C)C(=O)NCC 1760235672 SWBVKBMPZSMQLK-KRWDZBQOSA-N 462.595 2.208 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCC(=O)NC(C)(C)C 1760247765 OJJTYUPIIFGQOB-UHFFFAOYSA-N 479.585 2.066 30 10 JEEE C#CCN1CCN(c2nnc(-c3noc4c3COCC4)n2CCN(CCC)C(=O)OC(C)(C)C)CC1 1760260108 LRCMQSYIIGTKDU-UHFFFAOYSA-N 499.616 2.408 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2CCCNC(=O)C(C)C)CC1 1760272120 ZMPFYRZGGIYFTG-UHFFFAOYSA-N 489.624 2.478 30 10 JEEE C=C(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1760341215 KWOKELGHHFFBST-UHFFFAOYSA-N 465.602 2.468 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1760411853 FBNVRPFUQWVTJT-ROUUACIJSA-N 484.630 2.159 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCN(C(C)=O)C1 1760483381 NNBCJFGSLLOJIO-MJGOQNOKSA-N 492.621 2.479 30 10 JEEE CC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc(NS(=O)(=O)c4ccccc4C#N)nc3)ccc21 1858291148 LEZIRSWBKLJXKZ-UHFFFAOYSA-N 497.558 2.464 30 10 JEEE Cn1c([C@@H](C#N)C(=O)CN2CCN(c3nnc(-c4ccccc4)c(O)n3)CC2)nc2ccccc21 1859428033 GVVJGMNSFUFROF-SFHVURJKSA-N 468.521 2.129 30 10 JEEE COC(=O)c1ccc([C@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2CCN2CCOCC2)cc1 1862745898 UVGQCBJENSVQSM-NRFANRHFSA-N 495.488 2.292 30 10 JEEE N#Cc1ccc(Cn2nnc(C#N)c2NC(=O)CN2C(=O)c3ccc(Br)cc3C2=O)cc1 1870111979 KKUZHSPJNGOBDG-UHFFFAOYSA-N 490.277 2.067 30 10 JEEE CN(C)c1ccc(-n2nnc(C#N)c2NC(=O)CCCN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc1 1870155258 DLPQWUAQLYJTJC-UHFFFAOYSA-N 488.464 2.128 30 10 JEEE CCCCCCCCN1C[C@H](C(=O)N2CCC(C(=O)NCCCN3CCOCC3)CC2)CC1=O 1872926186 MDJSTDVYCLGEFS-HSZRJFAPSA-N 478.678 2.273 30 10 JEEE CN1CCN(CC#CCOC2CCN(S(=O)(=O)c3ccc(Br)c(F)c3)CC2)CC1 1890474577 ABROESUUSUHYJK-UHFFFAOYSA-N 488.423 2.009 30 10 JEEE CCOc1cn(-c2ccc(F)cc2)nc1C(=O)N1CCC(OCC#CCN2CCN(C)CC2)CC1 1890486002 FVIOIXJJOOVOFT-UHFFFAOYSA-N 483.588 2.282 30 10 JEEE CC(C)N1C(=O)CS[C@H](C(=O)N2CCO[C@@H](C(=O)N3CCCCC3)C2)[C@H]1c1ccc(C#N)cc1 1890790519 RVOUJJVCLFJQHF-MZYLBHOOSA-N 484.622 2.192 30 10 JEEE C/N=C1\S[C@@H](CC(=O)N2CCOC[C@@H]2Cc2cn([C@@H](C)c3ccc(F)cc3C)nn2)C(=O)N1C 2087926609 UFVJMXLURSCROK-MPYULMGVSA-N 488.589 2.055 30 10 JEEE CN(CCOCCNC(=O)OC(C)(C)C)C(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2255533815 YOWDRHPJSTVJLC-UHFFFAOYSA-N 455.386 2.056 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CC[C@H]1NS(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2255950108 HOGQAYRIUZVPBX-DLBZAZTESA-N 452.382 2.320 30 10 JEEE CC(C)(C)OC(=O)NC[C@H](O)CC(=O)Nc1nc(B2OC(C)(C)C(C)(C)O2)ccc1Cl 2256673504 SVLUXCPNUWCSMI-GFCCVEGCSA-N 455.748 2.248 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NC[C@@]23CN(C(=O)OC(C)(C)C)C[C@H]2CCO3)C1 2266521160 AMHGYUWDFFVGRF-JXFBJGELSA-N 463.575 2.435 30 10 JEEE Cc1csc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2O)c1B1OC(C)(C)C(C)(C)O1 2267155011 NSXKXOJRMYAFGW-GJZGRUSLSA-N 466.409 2.456 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2C(NS(=O)(=O)c3ccccc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2267372588 QJDGNBJDJTZTHI-GJZGRUSLSA-N 464.393 2.129 30 10 JEEE CCON(CCNC(=O)OC(C)(C)C)S(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2267375372 GOGCAYMYHBDLJZ-UHFFFAOYSA-N 470.397 2.453 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1F 2268724933 QBHJSMGQBDQXCU-LBPRGKRZSA-N 456.295 2.478 30 10 JEEE CC(C)(C)OC(=O)N1CC(N2CCC[C@H]2C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C1 2271808064 GISKEYRAGCNXIR-IRLDBZIGSA-N 453.587 2.307 30 10 JEEE CC1(C)OB(c2ccc(F)c(C(=O)NC[C@@]3(O)CCN(Cc4ccccc4)C3)c2)OC1(C)C 2281786072 CVGZVTKRYBXOBY-VWLOTQADSA-N 454.351 2.492 30 10 JEEE C[C@@H](NC(=O)OC(C)(C)C)C1CCN(C(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)CC1 2281816834 CMGWXVSZFICVTQ-OAHLLOKOSA-N 462.400 2.485 30 10 JEEE CCn1cc(C(=O)N(CCNC(=O)OC(C)(C)C)CC(F)F)nc1B1OC(C)(C)C(C)(C)O1 2282042618 IEBBAOVCCFAACQ-UHFFFAOYSA-N 472.342 2.434 30 10 JEEE CC(C)(C)OC(=O)NC1CCN(CCNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)CC1 2282196047 VIFRMBHTBSLBOX-UHFFFAOYSA-N 462.400 2.033 30 10 JEEE C[C@H]1C[C@H](NC(=O)C(F)(F)F)CN(S(=O)(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2282348067 GXLMDPVEQIIVJZ-KBPBESRZSA-N 476.326 2.063 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1[C@@H]2CN(S(=O)(=O)c3ccc(F)cc3B3OC(C)(C)C(C)(C)O3)C[C@@H]21 2282489128 CWCDIUVZHKJSKW-HWWDLCQESA-N 482.383 2.269 30 10 JEEE Cc1nc(S(=O)(=O)N(C)[C@H]2CC[C@@H]2OCc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)n1C 2282506133 NSGJZLCROUAYNM-OALUTQOASA-N 475.420 2.396 30 10 JEEE Cn1ncc(C(=O)N2CCC[C@H](CCNC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2282569450 RMAJTRGLJVKLOU-MRXNPFEDSA-N 462.400 2.486 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](NC(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)C[C@@]2(C)C1 2282586801 DFKXYSJFWHXCNP-NPGVVQFXSA-N 460.384 2.474 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)[C@H]1CN(C(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)CCO1 2282665360 PCRCHJGXLBGFMQ-DOTOQJQBSA-N 461.368 2.135 30 10 JEEE C[C@@H]1CCN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C[C@H]1CNC(=O)OC(C)(C)C 2282706103 HVHATIBKPXZBHN-HZPDHXFCSA-N 460.384 2.399 30 10 JEEE CN(C1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282835244 RCXYEFZTKRNCQS-ZIAGYGMSSA-N 499.464 2.069 30 10 JEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H]1C[C@@H](OCc2ccccc2)C1(C)C 2282865542 VSKBSEFBGBUIPZ-QZTJIDSGSA-N 475.420 2.382 30 10 JEEE C[C@H](NC(=O)[C@]12C[C@](NC(=O)OC(C)(C)C)(CO1)C2)c1nscc1B1OC(C)(C)C(C)(C)O1 2284148347 YPRDFDGXWKDYEO-LACYOAMESA-N 479.408 2.446 30 10 JEEE Cc1cc(NC(=O)[C@@H](CCC(N)=O)NC(=O)OC(C)(C)C)cc(B2OC(C)(C)C(C)(C)O2)c1 2284148512 RPQRHQLGEBNRJT-QGZVFWFLSA-N 461.368 2.392 30 10 JEEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@@H](COCc3ccccc3)CC(=O)O)cc2)OC1(C)C 2284406595 ADEYVNWNSJQDIO-LJQANCHMSA-N 475.372 2.324 30 10 JEEE CC(C)(C)OC(=O)N1CCN2CCOC[C@]2(CNC(=O)C2(B3OC(C)(C)C(C)(C)O3)CC2)C1 2288167383 OIIITOCHOMDQTJ-QFIPXVFZSA-N 465.400 2.051 30 10 JEEE CC1(C)C=C(CN2CCN(c3ccc(F)cc3)CC2)c2cccc3c2N1C(=O)C3=NNC(=N)N 2297710795 COMLLIQYQYRJAB-UHFFFAOYSA-N 461.545 2.357 30 10 JEEE C=CCN(CC=C)c1nc(NC(=O)C=Cc2ccc([N+](=O)[O-])cc2)n([C@@H]2CCS(=O)(=O)C2)n1 2331674939 RLRPXZXMPDHODT-GOSISDBHSA-N 472.527 2.376 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)n1C 2362330365 AKCSVYSGQOWPFU-JKSUJKDBSA-N 462.400 2.451 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)n1C 2362341122 QYXXMLKTUWCDIZ-ZBFHGGJFSA-N 462.400 2.261 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)n1C 2362575649 XGNYQVTVTLKPRO-MRXNPFEDSA-N 462.400 2.357 30 10 JEEE C=CCn1c(=O)/c(=C2/C=Cc3cc(C)ccc3N2CC)s/c1=C1\OC(=S)N(CC)C1=O 103468818 XUTKXKFQYZIEOU-GVSYXSRGSA-N 453.589 2.338 30 10 JEEE C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](Sc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 204863998 HKPBKBKNZZUJJN-ZBFHGGJFSA-N 478.424 2.382 30 10 JEEE C=CCc1cc([N+](=O)[O-])ccc1OCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 513590887 YZQQCTYIHMKVPO-UHFFFAOYSA-N 463.487 2.374 30 10 JEEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@H](Oc3ccnc(CN(C)CC)c3)C2)c1 856640891 JOKYUXNPMOBXFS-NRFANRHFSA-N 458.584 2.291 30 10 JEEE C#CCN(c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCOCCOC)[C@@H]1CCS(=O)(=O)C1 1286385145 UQRUVQKCMJWUOK-IEBWSBKVSA-N 492.667 2.421 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCC(F)(F)F)nc1 1286448188 RARJHUGBXGTYOA-HNNXBMFYSA-N 457.478 2.024 30 10 JEEE C=CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1286680925 NVMBETJFTCECMI-NHCUHLMSSA-N 473.666 2.399 30 10 JEEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2csc(C)n2)CC1 1286700172 KNSZQAVIOGGPFO-QGZVFWFLSA-N 450.634 2.234 30 10 JEEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H](C)N1CCN(CC)CC1 1286717083 QTUWNNSYZSZVOT-SFHVURJKSA-N 474.679 2.195 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCc2nccn2C1 1286742217 HLVGABZPQIZXLC-NQIIRXRSSA-N 494.625 2.412 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC(NC(=O)OC(C)(C)C)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1286793527 YJKZHAWMSHHZOQ-XMMPIXPASA-N 492.621 2.114 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(N(CCC#N)CC2CC2)n1CC(=O)N1CCOCC1 1287050847 HRZZTNIKPRYYJO-IBGZPJMESA-N 487.605 2.339 30 10 JEEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](NC(C)=O)C1 1300412342 VWUCTFUNMAJYBE-RTBURBONSA-N 460.579 2.105 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1(O)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1300482558 GMJOEKJCOUBQSG-LJQANCHMSA-N 473.555 2.175 30 10 JEEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1ccc(CN2CCC(O)CC2)cc1)[C@@H]1CCS(=O)(=O)C1 1300485078 UDHZZZUFGUPKCH-NZQKXSOJSA-N 499.681 2.423 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1[C@H](C)CCN1C(=O)OC(C)(C)C 1300578803 PKQPRHKAMDKIDY-VAMGGRTRSA-N 489.642 2.289 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](CC)Oc1cccc(F)c1 1300631854 XHXCKIDTHREESI-QUCCMNQESA-N 479.578 2.067 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H](CC)OC)CC1 1300719312 WCIPYRHWUPLKHT-GOSISDBHSA-N 455.559 2.353 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1300897801 VLDZJHMMOWSCMX-DPLHUUCSSA-N 474.650 2.319 30 10 JEEE C=C(C)Cn1c(Cc2ccsc2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1300958836 SQLANHBBYNNHQU-SFHVURJKSA-N 451.618 2.137 30 10 JEEE C=C(Cl)Cn1c(Nc2cnn(CC3CCC3)c2)nnc1[C@H]1CN(S(C)(=O)=O)CCO1 1301061933 ZIGYYKYSNSKJPU-MRXNPFEDSA-N 455.972 2.104 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(C(N)=O)nc1 1301350394 WVZBHRLRCWQZIY-UHFFFAOYSA-N 463.517 2.388 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1301477920 FUUJXGAGRXEWLZ-ROUUACIJSA-N 472.977 2.027 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1301481362 KSBIFDMGUXNRGR-DGGJZMOXSA-N 459.522 2.244 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CCN(CC(F)(F)F)CC1 1301515676 XPJCJJKKOUDNCD-UHFFFAOYSA-N 466.508 2.406 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)ccc2C)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1301592607 AREOLCMYIJHVQT-PMACEKPBSA-N 487.626 2.322 30 10 JEEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCC(CC#N)CC3)n2CCC[C@@H]2CCCCO2)C1 1316353562 AANXSWDDLQFCJV-VQTJNVASSA-N 480.635 2.090 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1OCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1358958297 KZGXXKWTBYSFFX-OALUTQOASA-N 473.555 2.295 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CCC(C)(F)F)[C@@H]1CCS(=O)(=O)C1 1358965873 CTUFKFASGLEODC-QGZVFWFLSA-N 463.510 2.401 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1ccccc1COCC)[C@@H]1CCS(=O)(=O)C1 1358966638 SRUGGARXJSSNPB-HSZRJFAPSA-N 496.637 2.351 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H](c1ccsc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1358967702 QIWJEZOLORKFDW-IPMKNSEASA-N 463.629 2.121 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C1CC1)N(C)C 1359017268 YUNCJBZYGGSAKE-TZIWHRDSSA-N 459.591 2.299 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)Oc2ccccc2OC)CC1 1359028113 HRYWWUGJQHWNEB-IBGZPJMESA-N 475.553 2.157 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCN(CC)C(=O)OC(C)(C)C)CC1 1359028211 KTTUZSUCWANBMF-UHFFFAOYSA-N 475.638 2.209 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1359092797 GKYVIKGQAUYWBC-QGKUPGEISA-N 486.569 2.304 30 10 JEEE C=CCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1359208469 MHEKPZMAGGIZGS-QGZVFWFLSA-N 485.980 2.373 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1359291767 BJEJNRWLUZJCHC-NYHFZMIOSA-N 458.950 2.233 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC(NC(C)=O)CC1 1359327944 OTIWQBJFDCXMPV-UHFFFAOYSA-N 483.598 2.041 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1359334440 FVKGFGCUURHNGS-UHFFFAOYSA-N 478.578 2.199 30 10 JEEE C=CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1359343042 KZAYSRURSCFQML-QGZVFWFLSA-N 457.666 2.342 30 10 JEEE CS(=O)(=O)C1(Cn2c(COc3ccc(F)cc3)nnc2N2CC[C@@](F)(C#N)C2)CCC1 1505120502 GMBCILDDJSDXGP-LJQANCHMSA-N 451.499 2.405 30 10 JEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(OC)c(O)c1 1507616334 JBXODYMTDRLCPY-QGZVFWFLSA-N 457.531 2.418 30 10 JEEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H](C)N1CCN(CC)CC1 1507622877 NZJILPRMUPQTJP-SLFFLAALSA-N 459.639 2.144 30 10 JEEE C#CCN(c1nnc([C@@H](CC)c2ccccc2)n1CC(=O)NCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1507624822 DYEPBSKUVBZPDZ-ROUUACIJSA-N 497.543 2.125 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@H]1OCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1507627118 IRMLOOLOHMZFNJ-UYAOXDASSA-N 458.584 2.396 30 10 JEEE C#CCN1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCN2CC=CCC2)CC1 1507731450 IYBZJFAIUYWBLM-UHFFFAOYSA-N 483.661 2.410 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1507759925 QEFGZLHYROMGFK-SQJMNOBHSA-N 450.587 2.309 30 10 JEEE C=CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1507945222 CSWSEOOWSRZXQH-CVEARBPZSA-N 468.649 2.462 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Br)s2)nnc1N1CC(=O)N(C)C[C@@H]1C 1508133382 HZEMSAFCZNIQJP-LBPRGKRZSA-N 488.433 2.037 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@](F)(C#N)C1 1508137298 ZNVUXWVOEDEHTQ-INIZCTEOSA-N 457.329 2.078 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(CC)Cc1ccc2c(c1)OCO2 1508140319 MPNJTHDBXKSSGN-UHFFFAOYSA-N 458.544 2.035 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1CCCCN1CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1539210604 FHEYMCQOXSQRPL-SFTDATJTSA-N 470.643 2.479 30 10 JEEE C#CCN(c1nnc(C2CCCC2)n1CCNC(=O)c1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 1539222361 VPTSOOITBXYZOB-FQEVSTJZSA-N 485.610 2.001 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC[S@](=O)C(C)(C)C)CC1 1539428610 UPCJXAPCESRZSS-XIFFEERXSA-N 491.061 2.164 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1539491423 PPNLDWUALBLGMK-SFHVURJKSA-N 461.613 2.137 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1539688603 KNCDVFRPZNJACW-LJQANCHMSA-N 456.572 2.335 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCOC2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1)C(C)C 1540152436 UPHQHKLEZMTHNL-JSXRDJHFSA-N 458.607 2.415 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC(NC(C)C)CC1 1540861905 LBBFYSALAJIGIY-UHFFFAOYSA-N 453.591 2.416 30 10 JEEE C=CCS(=O)(=O)CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1540908273 FDKMDEOCBLFWGV-INIZCTEOSA-N 497.046 2.038 30 10 JEEE CCN1CCN(C[C@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCCN(C(C)=O)CC2)CC1 1547727417 DSVDWZRDMOFILK-NRFANRHFSA-N 478.645 2.149 30 10 JEEE N#Cc1ccc(N2C[C@@H](C(N)=O)[C@H](C3CCN(C(=O)N4CCOCC4)CC3)C2)cc1C(F)(F)F 1548397136 WWCOCZKXPVLFPW-RBUKOAKNSA-N 479.503 2.279 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCCCCCO)[C@H]1CCS(=O)(=O)C1 1588041606 YMXDJHRLFKXBFH-KRWDZBQOSA-N 451.980 2.173 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1Cc1oc(CC)nc1C)[C@H]1CCS(=O)(=O)C1 1588045666 OHMNMLDVEOSIAK-IBGZPJMESA-N 464.551 2.351 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@@](C)(O)c1ccco1)[C@H]1CCS(=O)(=O)C1 1588059285 LCWXOAVVGKEJNW-YADARESESA-N 484.578 2.005 30 10 JEEE C#CCN(c1nnc(COc2ccccc2CC)n1CC1=CCCOC1)[C@@H]1CCS(=O)(=O)C1 1588069386 MPMRAHNWECIZSZ-OAQYLSRUSA-N 470.595 2.393 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(=O)N[C@H](C)CC)c1 1588386214 NXZUJBCRPIIXLQ-XLIONFOSSA-N 457.600 2.216 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1cccc([N+](=O)[O-])c1)C1CC1 1593636589 OCEIZDYHINXPCY-IBGZPJMESA-N 476.559 2.264 30 10 JEEE C=C(Cl)Cn1c(N2C[C@H](C(=O)NCCOC)CC[C@@H]2C)nnc1[C@]1(OC(C)C)CCOC1 1593932326 HBIRFAAUEIKGGM-SVMVAKDDSA-N 470.014 2.439 30 10 JEEE C=C(Cl)Cn1c(N2CCC(C(=O)N3CCOCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1593932819 QPYRBYSLLXAVEQ-JOCHJYFZSA-N 467.998 2.146 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nncn1CC 1595239209 GZBMMANRSJTIAY-LJQANCHMSA-N 455.588 2.075 30 10 JEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](Cc2ccc(C#N)cc2)C1 1595405246 GIFFUFHUVYVVAU-RTWAWAEBSA-N 470.599 2.128 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1595501024 JOSDXQHODPAHJG-QGZVFWFLSA-N 485.566 2.043 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCC(CC(=O)N2CCN(CC)CC2)CC1 1595517278 VQXOXOSNVCADPH-UHFFFAOYSA-N 479.629 2.018 30 10 JEEE CC(=O)N1CCN(c2nnc(CCCc3ccccc3)n2CCN/C(O)=C2/N=CC=CC2=O)[C@@H](C)C1 1596245773 WRXGNQBKISKRKS-LYEHZDMLSA-N 491.596 2.037 30 10 JEEE COc1ccc(-c2nc(CCNC(=O)[C@H](C)NS(=O)(=O)c3cccc(C#N)c3)co2)cc1 1610030427 AGOVERYTCKATHD-HNNXBMFYSA-N 454.508 2.248 30 10 JEEE N#Cc1ncccc1S(=O)(=O)NCc1ccnc(N2CCN(c3ccc(F)cc3)CC2)c1 1621663887 DRRNFSPAPRHVCB-UHFFFAOYSA-N 452.515 2.292 30 10 JEEE C=CCNC(=O)CNC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C)OC 1637325957 YNSDNWONRBMMAN-MWTRTKDXSA-N 451.523 2.347 30 10 JEEE C#C[C@H]1COCCN1CC(=O)Nc1sc(-c2ccccc2)c(C)c1C(=O)N1CCOCC1 1643379709 PQNHMWDVRMPBMK-IBGZPJMESA-N 453.564 2.468 30 10 JEEE C#CCN(CC#C)C(=O)CNC(=O)c1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1 1654426738 UGYMWMDSTMESOV-UHFFFAOYSA-N 459.527 2.465 30 10 JEEE C#CCOc1ccccc1NC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1676480062 OWVIKCXZQQINIV-UHFFFAOYSA-N 457.508 2.008 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](c1ccccc1)N1CCOCC1 1689824010 FLAXOSDHJYQHKQ-FPOVZHCZSA-N 459.554 2.457 30 10 JEEE C#CCCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1689885428 ILEGFWYZQIGREI-UHFFFAOYSA-N 467.599 2.406 30 10 JEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1689892561 IETAFBKNQARRBU-IBGZPJMESA-N 470.574 2.321 30 10 JEEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCN1CCN(C)C(C)(C)C1 1689961290 RSSOZONFYDPUSQ-UHFFFAOYSA-N 476.629 2.160 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCCN(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1689982231 JXLWEJBZYCJSEE-KRWDZBQOSA-N 497.463 2.393 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCCc1cccc(C)n1)[C@@H]1CCS(=O)(=O)C1 1689989707 IACPNLUIZBLLEA-NHCUHLMSSA-N 457.600 2.483 30 10 JEEE C#CCN(c1nnc([C@@H]2COc3ccccc3O2)n1CCCCOCC)[C@H]1CCS(=O)(=O)C1 1689990183 MKWGKQOSOKDYEJ-RXVVDRJESA-N 474.583 2.234 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(Br)cn2C)n1C[C@H]1CC(=O)N(CCOC)C1 1690036207 ZXYVCYGYKDZNJU-KRWDZBQOSA-N 487.402 2.004 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2noc3c2COCC3)n1C[C@H](COC)OC 1690090095 WGTIWUHIONOOCL-GOSISDBHSA-N 455.490 2.446 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1c[nH]c2cccc(C)c12 1690104302 SCCUUPDVBHXGDA-LJQANCHMSA-N 455.584 2.299 30 10 JEEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C1CCN(CCC)CC1 1690219443 DYQVWJHCBIRWLE-CQSZACIVSA-N 463.446 2.108 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CCOC)[C@@H](CC)C1 1690235589 BHIBQOWUTHTDQO-ACRUOGEOSA-N 460.623 2.042 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2OC)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1690242831 DBIGYTVOGZIOLV-WFXMLNOXSA-N 475.615 2.453 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1690250634 JWSXSNOFOFPVDT-REWPJTCUSA-N 472.634 2.465 30 10 JEEE C=C(C)COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1690302414 DMRDDSOAKMDCMA-WMZHIEFXSA-N 497.600 2.435 30 10 JEEE C=C(Cl)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](NC(C)=O)C1 1690346696 ZWYQVTDFQLJINK-DLBZAZTESA-N 468.986 2.444 30 10 JEEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCS(=O)(=O)Cc2ccccc2)CC1 1690375311 GXEXAXOFQRDODU-FQEVSTJZSA-N 478.640 2.342 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCc2cc(Cl)ccc2C1 1690659412 RTJXIDNIWUCQJQ-UHFFFAOYSA-N 451.918 2.444 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1690667685 DIGARLWCOFBFDR-IRXDYDNUSA-N 457.579 2.325 30 10 JEEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1690739926 CYOOQTFWOZGKIC-UHFFFAOYSA-N 466.571 2.196 30 10 JEEE C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1CCS(=O)(=O)C1 1692828486 AIZRYPDPTIRFSQ-MPGHIAIKSA-N 465.963 2.235 30 10 JEEE CNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1696891548 DBYPROITNMEHJL-UHFFFAOYSA-N 475.601 2.035 30 10 JEEE C#CCN(c1nnc(-c2ccc(OCC)c(OC)c2)n1CCn1cc(C)cn1)[C@H]1CCS(=O)(=O)C1 1705562793 KLETWOHHDCUNRH-FQEVSTJZSA-N 498.609 2.184 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@H](C)c1ncc(C)s1)[C@@H]1CCS(=O)(=O)C1 1705568546 POJJTRVJFYNULZ-DNVCBOLYSA-N 487.655 2.335 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(N2CCCC2)nc1 1705589309 OXFGKAHGBSFQTK-UHFFFAOYSA-N 454.538 2.432 30 10 JEEE C=C(C)Cn1c(N2CCN(CC(=O)NC3CCCCC3)CC2)nnc1[C@@]1(OCC)CCOC1 1705728539 NSRUDRPTZMSEGC-XMMPIXPASA-N 460.623 2.077 30 10 JEEE C=CCN(c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@@]1(O)CCS(=O)(=O)C1)C1CC1 1705850729 GHDYGABZWRJRLJ-QHCPKHFHSA-N 476.599 2.445 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1705896395 LCXYULZFZFUIFB-UHFFFAOYSA-N 469.615 2.259 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCN(C)C(=O)C1 1705931611 VIOLQAZCKINTEQ-UHFFFAOYSA-N 463.629 2.155 30 10 JEEE CC[C@H](C)[C@](C)(O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1708347292 FHCHVJJAGDAZIB-MKSPYTNGSA-N 452.559 2.476 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H](c2cccs2)N(C)C)CC1 1722441402 PKIXWNREGGVAGZ-ZVDOUQERSA-N 458.632 2.122 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2C[C@@H](C(C)C)N2CCOCC2)CC1 1722448509 YMMVZIFYGAEDMX-NRFANRHFSA-N 458.651 2.189 30 10 JEEE C#CCSCCn1c(-c2ccc3ccccc3n2)nnc1N1CCO[C@H](CNC(C)=O)C1 1722455372 SVYWUTAFHOVMAK-LJQANCHMSA-N 450.568 2.201 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1oc2ccccc2c1C 1722681063 FZUWIFHCNSXFPA-OAQYLSRUSA-N 489.598 2.353 30 10 JEEE C=CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1722684985 GZFLXUWMOFJWBX-UHFFFAOYSA-N 485.614 2.111 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(c3ccccn3)CCC2)C1 1722710008 BVNNTEUIORXUAF-QZTJIDSGSA-N 460.604 2.187 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1722728882 BQPVDHRTJWHXHN-IBGZPJMESA-N 458.632 2.175 30 10 JEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC(Oc2ccc(C)cc2)CC1 1722730186 KXKNWSZXGJWMQC-UHFFFAOYSA-N 487.626 2.358 30 10 JEEE CC(C)(C)NC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1722971302 DNUVTMOEJZAZRI-RTWAWAEBSA-N 482.585 2.418 30 10 JEEE Cc1noc([C@H](C)N2CCN(c3nnc(-c4cccc(C#N)c4)n3CCC(=O)NC(C)C)CC2)n1 1726419496 FOAGWZZNLBHOSJ-KRWDZBQOSA-N 477.573 2.306 30 10 JEEE CCN(CC)[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1728369959 BEYUAQNIGJEURX-QFUCXCTJSA-N 467.574 2.394 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCCO3)n2C[C@@H]2NC(=O)CC2(C)C)c1 1740562303 IHSWEVVXNPUPEM-PMACEKPBSA-N 464.570 2.491 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1CC1CCN(CC(F)(F)F)CC1)[C@H]1CCS(=O)(=O)C1 1740621475 LYQQIPCMBOIZDD-SFHVURJKSA-N 496.559 2.241 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H]1CCCCN1CCCC)[C@H]1CCS(=O)(=O)C1 1740622368 BXFPKYMMQMTVPK-UXHICEINSA-N 471.631 2.016 30 10 JEEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1Cc1cccc(C(=O)N(C)C)c1 1740658039 FQQYAAUAFRERKK-UHFFFAOYSA-N 474.590 2.483 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc(Cl)nc3)n2CC2(O)CCC2)n1 1740688545 WTVKOACXNVYFGZ-UHFFFAOYSA-N 455.950 2.391 30 10 JEEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1cccs1)C(C)C 1740717573 WCXKTSQQIJPVDG-GOSISDBHSA-N 483.685 2.454 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCNC(=O)c1cccc(O)c1 1740773811 DSIWKTBEDJIBRX-SFHVURJKSA-N 461.588 2.108 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)C 1740916041 BHOHRPJLYUHKJU-HXUWFJFHSA-N 458.588 2.331 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2OC)nnc1N1C[C@H](C)OC(C)(C)C1 1740994580 UGYQQAKRLJXGCT-KRWDZBQOSA-N 464.588 2.470 30 10 JEEE C#CCCCCn1c(-c2cnccn2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1748712522 KJYMGAYAUFILEZ-SFTDATJTSA-N 464.618 2.165 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCCNC(C)=O)[C@H]1CCS(=O)(=O)C1 1748803887 AXDIKZRSOSCXFV-FPOVZHCZSA-N 487.626 2.188 30 10 JEEE C#CCN(c1nnc(C2CCC2)n1Cc1ccc(C[S@](C)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1748816283 YOAQULGHZBKICV-KEEVHDRGSA-N 460.625 2.099 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1cn(C2COC2)nn1 1748925446 HWJQZCKRMPPEPH-KRWDZBQOSA-N 470.578 2.063 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H](C)N1CCC[C@@H](C)C1 1748957132 WBTVKGKLGPSNAC-UXHICEINSA-N 463.590 2.127 30 10 JEEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1749050138 WYCVBDAPHWHYEB-ZJOUEHCJSA-N 463.648 2.058 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)C[C@H](C)C(=O)NC 1749120494 FAESPAQSUOCEHU-QRFRQXIXSA-N 475.615 2.148 30 10 JEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(CN3CCOCC3)CCCCC2)CC1 1749286015 CFIVFYVAUSCQHP-FQEVSTJZSA-N 480.679 2.327 30 10 JEEE C=CCCCCn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1749390843 LQVRWSUOKCDMHS-UHFFFAOYSA-N 487.004 2.462 30 10 JEEE C=CCn1c([C@H](C)OCCOC)nnc1N1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 1749615929 FGBZOMMEYUHCRC-FPOVZHCZSA-N 454.575 2.116 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1749652779 SEDJPHIEAMDXQB-SQJMNOBHSA-N 452.603 2.423 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 1749666125 HRUDCPKXOUEZQG-JBACZVJFSA-N 465.602 2.021 30 10 JEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2ccsc2)CC1 1749756312 WKMGBIHZJLCNFH-SFHVURJKSA-N 467.686 2.483 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC1(N(C)C)CCOCC1 1760120537 NHJYFVASDBPMQL-HSZRJFAPSA-N 479.673 2.212 30 10 JEEE C#CCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 1760150709 RLRNSQQFXLZFQG-NRFANRHFSA-N 470.599 2.107 30 10 JEEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCO[C@H]1c1ccc(C)cc1 1760175406 JCRFQIHAYYCNNS-FKBYEOEOSA-N 487.626 2.157 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1ccnc(SC)c1)[C@H]1CCS(=O)(=O)C1 1760188564 PGXWNBAMJJVWJK-ZWKOTPCHSA-N 461.613 2.312 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H]1CCCO[C@H]1C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1760189894 RAFDVPVPHIEPFT-NLWGTHIKSA-N 472.615 2.203 30 10 JEEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1C[C@](C)(O)CCC(C)C)[C@@H]1CCS(=O)(=O)C1 1760190305 PBVCOKSXJCCXFQ-PXDATVDWSA-N 498.653 2.331 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(C)cc1OC)[C@H]1CCS(=O)(=O)C1 1760191716 MIBDZYGFBRPEKY-NRFANRHFSA-N 482.610 2.132 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1c(C)nn(-c2ccccc2)c1C 1760218801 NMTKNRXHLAWVNG-OAQYLSRUSA-N 476.606 2.494 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CC2(N(C)C)CCCC2)CC1 1760271893 QGTVAKFFMXKPQB-UHFFFAOYSA-N 469.659 2.474 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2ccc(Cn3cccn3)cc2)CC1 1760273081 HTYPCARFQDFSBD-UHFFFAOYSA-N 461.570 2.074 30 10 JEEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1760281538 ODZVJWMNPIJXPW-GOSISDBHSA-N 455.584 2.207 30 10 JEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(Cc2ccccc2)C[C@@H]1C 1760284929 VBZNBWNQFICUAQ-FQEVSTJZSA-N 452.628 2.478 30 10 JEEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCN(CCC)C(=O)C1 1760313232 KYWWPSAHFGHVTE-RDJZCZTQSA-N 456.385 2.359 30 10 JEEE C=C(C)COCCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@](C)(C(N)=O)C1 1760350648 OMENKWJSWGVVEX-LJQANCHMSA-N 451.369 2.341 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1760516475 OFQGYHHORJRRFC-KRWDZBQOSA-N 498.563 2.263 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H]2CCCCS2(=O)=O)C1 1760536322 GUWGRSMURZLZLK-XQBPLPMBSA-N 468.620 2.067 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1760551938 XDALNSDZFBLQJR-XGHQBKJUSA-N 450.561 2.220 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCN(c2nccnc2C)CC1 1760552154 DSBBFSALRZHVCE-UHFFFAOYSA-N 471.562 2.110 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)nnc1[C@@]1(OCC)CCOC1 1760557962 BSOGOGHCMCMUEE-ZFGGDYGUSA-N 485.610 2.275 30 10 JEEE CC[C@@H](C)NC(=O)CCn1c(-c2ccccn2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1762041351 CNMQYAOSHHUANQ-MSOLQXFVSA-N 474.573 2.022 30 10 JEEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCS2)C1 1767264361 HGHYGHMDBXETAJ-RTBURBONSA-N 476.628 2.142 30 10 JEEE CS(=O)(=O)c1cccc(-c2nnc(N3CCC(CC#N)CC3)n2C[C@@H]2CCCN2CCCO)c1 1771343631 GCAHFUUCZYVILT-NRFANRHFSA-N 486.642 2.325 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1772660039 KUPKUMBUJQRDOL-MAUKXSAKSA-N 494.017 2.265 30 10 JEEE C=CCNC(=O)[C@H]1C[C@@H](O)CN1C(=O)c1ccc2nc(-c3ccc(OC)c(OC)c3)[nH]c2c1 1861410537 BGVDZYINWLFICS-VQIMIIECSA-N 450.495 2.125 30 10 JEEE CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCNC=O)ccc1O 1862610502 MZLCMPNOASDLDM-JOCHJYFZSA-N 482.489 2.277 30 10 JEEE CCOC(=O)c1ccc(NC(=O)[C@H](CO)NC(=O)C2CCN([C@@H](C#N)c3cccs3)CC2)cc1 1866867760 RDLLYVITBPHBPY-PMACEKPBSA-N 484.578 2.317 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NC[C@@H]2CCCO2)cn1Cc1ccncc1 1870541422 DTTMMLLBVJXHGC-QFIPXVFZSA-N 452.555 2.140 30 10 JEEE C=CCn1cc(OCc2cc([N+](=O)[O-])cc3c2OCOC3)c(=O)cc1CN1CCC(C(N)=O)CC1 1870590251 STXLFOUPWVRNSN-UHFFFAOYSA-N 484.509 2.085 30 10 JEEE C=CCn1c(C(=O)N2C[C@H](C)O[C@H](C)C2)cc2c(N3CCN(C(=O)OCC)CC3)ncnc21 1873562545 IJTILRCIOASJSB-CALCHBBNSA-N 456.547 2.145 30 10 JEEE C=CCn1c(C(=O)NCCc2ccc(OC)c(OC)c2)cc2c(N3CCN(C)CC3)ncnc21 1873591500 NJVQWWDAZHCXKT-UHFFFAOYSA-N 464.570 2.359 30 10 JEEE CC(C)N1C(=O)CS[C@@H](C(=O)Nc2cnc(N3CCN(C)CC3)nc2)[C@H]1c1ccc(C#N)cc1 1889421877 ZJSFUFDJNRKOII-FGZHOGPDSA-N 479.610 2.132 30 10 JEEE C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1nn(C)c(Cl)c1I 2010383709 LTGTTWFMVDTLIX-VIFPVBQESA-N 466.707 2.211 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2CC[C@H](CO)[C@H](NC(=O)OC(C)(C)C)C2)C1 2255199752 CEBKYOLTYSWTHI-IHSWXRNOSA-N 451.564 2.027 30 10 JEEE CC(C)(C)OC(=O)N1CC(CO)(CNC(=O)c2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2255639140 CULQHRUSZZBMSG-UHFFFAOYSA-N 452.382 2.007 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@H](NC(=O)c2csc(B3OC(C)(C)C(C)(C)O3)c2)C1 2255845080 GPWNOBXYSHHICO-HUUCEWRRSA-N 452.382 2.147 30 10 JEEE CC(C)(C)OC(=O)N1CCCCC[C@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2256622558 IZIFBFGMYRYOIG-ZDUSSCGKSA-N 452.386 2.377 30 10 JEEE CN(Cc1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C 2256676432 XEQOOCHGSJMANF-MRXNPFEDSA-N 454.398 2.281 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](NC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)CCO1 2267149712 ARZMWITVLYBECZ-ZIAGYGMSSA-N 467.397 2.244 30 10 JEEE C[C@@H](NS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1)C(C)(C)NC(=O)OC(C)(C)C 2267346729 GDXMWSYEYBDLGO-CQSZACIVSA-N 469.413 2.351 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C(F)(F)C1 2267519555 IDSNIQBEZCGURF-ZDUSSCGKSA-N 456.299 2.083 30 10 JEEE C[C@H]1C[C@H](NC(=O)C(F)(F)F)CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2267717918 LDOUWGBBAVACJD-AAEUAGOBSA-N 482.355 2.125 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@]2(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C1 2268643654 JFPGIYZWENKDPM-YEJXKQKISA-N 465.381 2.407 30 10 JEEE C[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C1COC1)c1nscc1B1OC(C)(C)C(C)(C)O1 2268664794 XZEUWUZPLBAGHE-LRDDRELGSA-N 467.397 2.159 30 10 JEEE COC[C@H](CC(=O)N=c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)[nH]1)NC(=O)OC(C)(C)C 2268707968 YXTHUXCBCWWFLB-ZDUSSCGKSA-N 469.775 2.324 30 10 JEEE CC(C)(C)OC(=O)N1[C@H](CNC(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)C[C@@H]2OCC[C@@H]21 2281802741 OBHMZZQUARLVPM-BPUTZDHNSA-N 479.408 2.339 30 10 JEEE CC(C)n1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NCC1(O)CN(C(=O)OC(C)(C)C)C1 2281816798 BWTLFJIFNLTYKJ-UHFFFAOYSA-N 463.384 2.080 30 10 JEEE Cn1nc(C(=O)NC[C@@H]2CC(C)(C)CN2C(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2281976443 BMTXLZWQRUIOKR-HNNXBMFYSA-N 462.400 2.485 30 10 JEEE CC(C)(C)OC(=O)NC1CC(C[S@@](C)(=O)=NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2281982877 PZXOFDFKLYWOLI-TUICBCIOSA-N 482.412 2.250 30 10 JEEE CC[C@@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2CN1C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2281991331 YRQMTGIVVZYPBC-ZMSDIMECSA-N 460.384 2.426 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C23CC3)n1 2281997241 ZEVSVXWDDOKVAT-INIZCTEOSA-N 460.384 2.474 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2occc2B2OC(C)(C)C(C)(C)O2)C[C@@]12CCOC2 2282036912 PADSXZPHLXECFI-IQMFZBJNSA-N 462.352 2.477 30 10 JEEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@]1(C)CCCCN1C(=O)OC(C)(C)C 2282173904 CEHJDVYYXAGUJG-JOCHJYFZSA-N 463.388 2.024 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)c1ccco1 2282192347 WDMIODYANGJSCT-OAHLLOKOSA-N 458.324 2.365 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2C(CNS(=O)(=O)c3cccc(B4OC(C)(C)C(C)(C)O4)c3)[C@@H]2C1 2282346201 UIGVLFVOFHJVKY-OALUTQOASA-N 478.420 2.377 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@]2(NS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2282493263 SLLRQBPHWZIIIL-QKKBWIMNSA-N 499.464 2.261 30 10 JEEE Cn1ncc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C2CC2)c1B1OC(C)(C)C(C)(C)O1 2282538619 IMYNKLVTWUDTDZ-IRXDYDNUSA-N 460.384 2.237 30 10 JEEE Cc1c(C(=O)N2C[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282553034 VFGJKCOYCSAUJX-BGYRXZFFSA-N 450.392 2.232 30 10 JEEE Cc1c(C(=O)N2[C@@H](C)CN(C(=O)OC(C)(C)C)C[C@H]2C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282555510 UNVUKYYZSKJDSK-GASCZTMLSA-N 462.400 2.498 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(CCNC(=O)OC(C)(C)C)CC(F)F)n1 2282591995 XMLQVKVUZRGJFN-UHFFFAOYSA-N 472.342 2.434 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H]3C[C@H]3[C@@H]2CNC(=O)OC(C)(C)C)n1 2282599509 POFGXBNFZSXFTC-UXLLHSPISA-N 460.384 2.187 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H](F)C[C@H]1CNC(=O)OC(C)(C)C 2282600985 XHQYUQTYPZHFSE-CABCVRRESA-N 466.363 2.280 30 10 JEEE Cn1nc(C(=O)N2CCN(Cc3ccccc3)CC(F)(F)C2)cc1B1OC(C)(C)C(C)(C)O1 2282606077 NQAXCVYQBBIWLW-UHFFFAOYSA-N 460.334 2.313 30 10 JEEE CC(C)(C)OC(=O)NC[C@@]12CC[C@H]1CN(C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)C2 2283067134 DQYHCLUXERGYNV-NPMXOYFQSA-N 458.368 2.153 30 10 JEEE CCO[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2283968820 NCHDCHAKPSQPIS-CVEARBPZSA-N 481.424 2.331 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N1CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C1 2285205259 QKYCSPXQNUOFAI-DOMZBBRYSA-N 455.286 2.218 30 10 JEEE Cc1nc(NC(=O)[C@H]2CCOCCN2C(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2285274910 PKHFPXKCTSGDNG-MRXNPFEDSA-N 462.356 2.049 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H](C[C@H](C(=O)N=c3nc(B4OC(C)(C)C(C)(C)O4)[nH]s3)C2)C1 2286597996 ZNKXIWJISZWGTQ-FICVDOATSA-N 478.424 2.481 30 10 JEEE Cn1cc(C(=O)N2CC(F)(F)C[C@H]2CNC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2296414043 QBHNFBREUFVBHT-ZDUSSCGKSA-N 470.326 2.094 30 10 JEEE Cc1nn(C)c(C)c1C(O)=C1C(=O)C(=O)N(CCCN2CCOCC2)[C@H]1c1ccc(F)cc1 2296626452 XPGVQJDQZBNDFN-NRFANRHFSA-N 456.518 2.320 30 10 JEEE CC(=NNc1nc2c(c(=O)n(C)c(=O)n2C)n1C[C@H](O)COc1cccc(C)c1)c1ccccc1 2327754191 XHRSPKYFHGZLPS-IBGZPJMESA-N 476.537 2.018 30 10 JEEE C[C@@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)C[C@H]1CCNC(=O)OC(C)(C)C 2362349142 WLDCYIIVWPUCBW-HZPDHXFCSA-N 462.400 2.342 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2CC[C@@]2(CNC(=O)OC(C)(C)C)C1 2362460565 JSPYBPJIPNSSJS-NPMXOYFQSA-N 460.384 2.096 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2C)n1C 2362487917 RBJCZHFWXWKHDG-ZBFHGGJFSA-N 462.400 2.403 30 10 JEEE COC(=O)c1scc(S(=O)(=O)Cc2ccco2)c1N/N=C(\C#N)S(=O)(=O)C(C)C 2157915 QRCIZARRBXDNFN-QGOAFFKASA-N 459.527 2.174 30 10 JEEE CCCn1c2c(c(=O)n(C)c1=O)C(=O)/C(=C/c1cc(OC)c(OC)cc1Br)N2 12762258 MRLIOFMXBSLWHX-GHXNOFRVSA-N 450.289 2.386 30 10 JEEE C[C@@H](Sc1nc(O)c(C#N)c(-c2ccccc2)n1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 59049237 LIQVCAQECBTOSQ-GFCCVEGCSA-N 455.521 2.488 30 10 JEEE N#C[C@@H]1C(=O)Nc2nc(NCc3ccc4c(c3)OCCO4)[nH]c(=O)c2[C@H]1c1ccccc1[N+](=O)[O-] 72472420 UMQIMJJMRKKEHK-KSSFIOAISA-N 474.433 2.285 30 10 JEEE C[C@H]([C@H]1CC=C(CO)C(=O)O1)[C@H]1CC[C@@]2(O)[C@@H]3C[C@H]4O[C@]45[C@@H](O)C=CC(=O)[C@]5(C)[C@H]3CC[C@]12C 124387898 LLAJTJFAKATTTI-WALODIHISA-N 472.578 2.078 30 10 JEEE C=C1C(=O)O[C@H]2C=C(C)[C@@H](OC(C)=O)CC=C(C)C[C@@H](OC(=O)[C@](C)(O)[C@@H](C)OC(C)=O)[C@@H]12 253687684 MDEMWAXREYWVBU-CRGOQACQSA-N 464.511 2.317 30 10 JEEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]3N2C(=O)c2ccc(F)cc2F)CC1 522367471 FWASSPYLVIJWPE-WTOYTKOKSA-N 474.552 2.185 30 10 JEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc([C@@H]3C[C@H]3C)o2)c(=O)n1-c1ccccc1C#N 604001485 HJGQHEXLJYEGPN-CRAIPNDOSA-N 456.527 2.292 30 10 JEEE CCN(CC)S(=O)(=O)c1ccc(NC(=O)CSc2n[nH]c(NN=Cc3cccnc3)n2)cc1 1084609259 VPLJTTKNSINXAL-UHFFFAOYSA-N 488.599 2.407 30 10 JEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2cccc(C)c2)CC1 1286315632 FKLMSDUTEMUONB-FQEVSTJZSA-N 458.632 2.322 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(C)c(Br)c2)n1CCS(=O)(=O)NC 1286423878 PYFHOXJHMOUHFR-UHFFFAOYSA-N 464.389 2.028 30 10 JEEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1CCCN(C(C)=O)C1 1286445647 ACJYPHSFESBACZ-HXUWFJFHSA-N 450.591 2.170 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C)(COC)CC1 1286554159 GXHBSTMOMDFHIT-FHWLQOOXSA-N 452.621 2.414 30 10 JEEE C=C(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1286584425 CTTIHLMZTHZTMM-FQEVSTJZSA-N 486.020 2.180 30 10 JEEE C=C(C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1286588043 IUPNJQWCQMBROE-UHFFFAOYSA-N 463.542 2.359 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1286781877 CWAAHCHSOOJUOH-WDEREUQCSA-N 468.333 2.185 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](CN2CCCC[C@H]2C)C1 1286813971 GVYBDPJPHWNHPE-UXHICEINSA-N 480.679 2.108 30 10 JEEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1300380472 CFSXHPNONXNGCB-UHFFFAOYSA-N 456.572 2.277 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H](C)N(C)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1300488040 OGZIWDGAFLVREW-IFMALSPDSA-N 478.622 2.487 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2COc3ccccc3O2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1300578318 KUHIMOTXPUIJOQ-URXFXBBRSA-N 490.608 2.196 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CCNC(=O)c2ccccc2F)CC1 1300718862 YLXGIRMIBUSJSZ-UHFFFAOYSA-N 478.528 2.381 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1([S@](C)=O)CC1 1300789250 CSNASBMHSYSAAH-UKPGIYTDSA-N 475.640 2.099 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1300884476 KSRZBBCCQJIEPJ-NUJGCVRESA-N 484.523 2.105 30 10 JEEE C=C(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(CCOC)[C@H](CCC)C1 1300939302 TWBCIKBKTLJZPK-OAQYLSRUSA-N 451.579 2.434 30 10 JEEE C=CCCOCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1301260255 WGTGLZJFPUBIJE-KRWDZBQOSA-N 451.568 2.071 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2nc(O)c(C#N)cc2C1)C(C)C 1301367490 OWFWZAUQOJOUMW-FCHUYYIVSA-N 490.612 2.463 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC(NC(=O)C2CC2)CC1 1301482038 RTPAXPQQPDCJSA-INIZCTEOSA-N 470.549 2.354 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1301492424 IJPNCAXIEUKTQH-LRDDRELGSA-N 453.421 2.132 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](COCC)C1 1301502278 FMFFASRZSGSEIQ-OALUTQOASA-N 492.621 2.142 30 10 JEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(Oc2cc(C)ccn2)CC1 1358904619 IESGRADAOMDILA-GOSISDBHSA-N 460.604 2.443 30 10 JEEE C#CCCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1358912778 YLUILXAMOJUNDG-RBUKOAKNSA-N 471.606 2.410 30 10 JEEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 1358938186 SONBXILAVDMDDE-NRFANRHFSA-N 459.554 2.286 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCCCN1CC)[C@H]1CCS(=O)(=O)C1 1358964606 CBVDOULULDNACS-PMACEKPBSA-N 476.672 2.135 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCCCCO)[C@H]1CCS(=O)(=O)C1 1358967612 NXBACTOTNPFMTM-XUVXKRRUSA-N 466.648 2.376 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1Cc1ccc(I)cc1 1358976017 NITNUMOHXYQRQM-UHFFFAOYSA-N 454.275 2.461 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCCCC2)nc1 1358994002 BNVQPSQHUYAJFA-OAQYLSRUSA-N 466.611 2.077 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCN2CCC(C)CC2)CC1 1359041941 MVTGZQRTQLVNGG-SANMLTNESA-N 486.661 2.016 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](C)Oc2cccc(C)c2)CC1 1359047281 ZGFVLDSCGHMEHQ-HXUWFJFHSA-N 478.597 2.142 30 10 JEEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2c(F)ccc(F)c2C1 1359133257 OFKHQSIAQYUQOP-HXUWFJFHSA-N 497.568 2.045 30 10 JEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccnc2OCC(F)F)CC1 1359174084 WGKDDHZDMRYLIG-AWEZNQCLSA-N 470.546 2.378 30 10 JEEE C=CCC(C)(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(C(=O)NC)CC1 1359187270 HNEZYVUGTYECFZ-UHFFFAOYSA-N 474.635 2.302 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCS[C@@H](C)C2)cc1 1359308790 ZCINLGGCDACJFW-PXNSSMCTSA-N 493.655 2.166 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)C1CC1 1359309725 CBHMLTXVPURUGC-HXUWFJFHSA-N 461.588 2.213 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)S[C@@H](C)C1 1359328366 BAQGBWAUFPCPJQ-HOTGVXAUSA-N 484.669 2.280 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1359334421 FCRCCELAWDILNK-UHFFFAOYSA-N 483.623 2.124 30 10 JEEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1Cc2ccccc2C1 1359334674 NPNCUOILNKASRJ-UHFFFAOYSA-N 457.581 2.391 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@@H](C(=O)OC)C1 1359335837 WNSOKRRKQCDVSW-GOSISDBHSA-N 462.572 2.074 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](Oc2ncccc2F)C1 1359336663 XYWVVMOEZDXOQV-SJLPKXTDSA-N 465.551 2.312 30 10 JEEE CC(C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1)N1CCCC1 1359658487 CNSMMFCYHWWCSU-QFIPXVFZSA-N 485.658 2.409 30 10 JEEE Cc1cccc(O[C@H](C)c2nnc(N3CC[C@](F)(C#N)C3)n2CCS(=O)(=O)N(C)C)c1C 1360872856 BVFMDIHWMDWZBD-UTKZUKDTSA-N 464.567 2.368 30 10 JEEE N#Cc1ccc(N2CCN(CC(=O)NC(=O)Nc3ccc4c(c3)OCCCO4)CC2)c(F)c1 1459430036 GCXAXTBXOCJFJL-UHFFFAOYSA-N 453.474 2.329 30 10 JEEE C=CCOCCCNC(=O)N1CCN(C(=O)c2ccccc2I)CC1 1470825762 OJQJNOKFXXVQDF-UHFFFAOYSA-N 457.312 2.351 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(CN2CCO[C@@H](C)C2)c1 1507514574 OLCZAWIXOBQHMH-PMACEKPBSA-N 450.587 2.241 30 10 JEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](COc2ccccc2)C1 1507564868 YLJXRSKPIPVTTK-CTNGQTDRSA-N 458.584 2.268 30 10 JEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 1507588371 LFFHAUODVMSAOH-SJORKVTESA-N 451.593 2.087 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C)[C@@H]1CCS(=O)(=O)C1 1507621515 BHNUOXSJZYCIGI-GUDVDZBRSA-N 493.674 2.273 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1CCN(C)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1507622007 DUZQCVKEQKOQLW-MRXNPFEDSA-N 453.609 2.069 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@@H](C1CC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1507635704 YTITUYOHQMFSQE-VXKWHMMOSA-N 455.628 2.144 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H](C)N(CC)CC)CC1 1507729607 IZGBMOYSNMDVHS-LEWJYISDSA-N 489.665 2.072 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CC2(SC)CCN(C)CC2)CC1 1507742334 HIDNFDIEMBPZPK-UHFFFAOYSA-N 481.670 2.057 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)[C@@H](C)CC(N)=O 1507795769 KAGNGZXDSFKRJJ-WDYCEAGBSA-N 489.646 2.228 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCC(=O)NC 1507799358 RJLOZGJPEUMSJM-NSHGMRRFSA-N 492.621 2.140 30 10 JEEE C=C(C)COCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1507835888 PGFSJMWDEICTQV-HSZRJFAPSA-N 472.977 2.171 30 10 JEEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1507941125 BQNWDARWJTWFCC-LJQANCHMSA-N 487.586 2.431 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCCN(CC)C(=O)C1 1508075520 XEJUDNZURGOSOO-UHFFFAOYSA-N 470.574 2.102 30 10 JEEE C=CCNC(=O)Cn1c(N2CCO[C@H](C(F)(F)F)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1508097831 LBZOWNYMGYQRGS-ZNMIVQPWSA-N 488.511 2.119 30 10 JEEE C=CCNC(=O)Cn1c(N2CCO[C@H](c3ccccc3F)C2)nnc1[C@@]1(OC(C)C)CCOC1 1508099154 VDIIWHMTCLSIAN-GBXCKJPGSA-N 473.549 2.338 30 10 JEEE C[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)N2CCSCC2)C1 1512183187 CGTNQAOMKDFRIX-QGZVFWFLSA-N 460.629 2.432 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CC[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1539229212 AIILMOZTQMPZFL-HKUYNNGSSA-N 462.547 2.050 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC(=O)NCc1ccco1 1539337014 BLKOFNSTYAGCHP-KDURUIRLSA-N 480.569 2.421 30 10 JEEE C=C(Br)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](C#N)C1 1539600648 SWCQOFKTLJVLRM-LSDHHAIUSA-N 483.367 2.224 30 10 JEEE C=CC1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCS(C)(=O)=O)CC1 1539871703 RLJYPUFRIHAHHL-UHFFFAOYSA-N 451.980 2.309 30 10 JEEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2cc(C)ccc21 1540037091 BADYJOYKZDTQEX-HXUWFJFHSA-N 461.588 2.206 30 10 JEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(N2CCCCCC2)nc1 1540071930 ISCLBGDHVLNNRW-HXUWFJFHSA-N 489.646 2.057 30 10 JEEE N#Cc1ccc(CNC(=O)c2ccccc2NS(=O)(=O)c2ccc3c(c2)OCCO3)nc1 1570049438 HBIXTYVTFQWOTI-UHFFFAOYSA-N 450.476 2.455 30 10 JEEE C#C[C@H](NC(=O)[C@H]1CN(C)C(=O)CN1C(=O)OC(C)(C)C)c1ccc(Br)cc1 1583571295 WSQJHZRZFHVTII-JKSUJKDBSA-N 450.333 2.317 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@H]1CCCN(C(C)C)C1)[C@H]1CCS(=O)(=O)C1 1588053411 FCSAWQFWCZXGLO-ACRUOGEOSA-N 463.648 2.267 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CC[C@@H]1CCO[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1588065318 WUAFAROFCFEONE-SBHAEUEKSA-N 457.600 2.096 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(O)CCOCC1 1588228758 LOXOCLALOWESCE-FQEVSTJZSA-N 471.602 2.397 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2C[C@@H](C)NC(=O)OC(C)(C)C)CC1 1588791480 WOYNOOJBMBRJFT-GOSISDBHSA-N 482.585 2.385 30 10 JEEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@]2(N(C)C)CCSC2)CC1 1588836403 JCFTXHGUVDSOSH-QHCPKHFHSA-N 460.598 2.340 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCc2ccc(C)c(OC)c2)CC1 1588929783 GSGPGWFXGAUZCJ-OAQYLSRUSA-N 451.571 2.308 30 10 JEEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1589296384 RHTRNPABXNNDLF-GUYCJALGSA-N 464.430 2.438 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@@H](C(=O)OC)C1 1595501352 QMBCRGVWCBJPOZ-OAHLLOKOSA-N 462.348 2.318 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCS[C@@H](C)C1 1595537233 OEBPPKRYLMWUSF-INIZCTEOSA-N 467.599 2.309 30 10 JEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCN(Cc2ccccc2OC)CC1 1595561945 IIBINEQMMBYQIC-UHFFFAOYSA-N 481.626 2.267 30 10 JEEE CC(C)(C)S(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@@](F)(C#N)C1 1597699009 DKGPKIAZMYPXCJ-JOCHJYFZSA-N 490.609 2.107 30 10 JEEE Cc1nn(C)c(N2CCN(c3nnc(CC(C)(C)C)n3C[C@H](C(C)C)N3CCOCC3)CC2)c1C#N 1612469780 HGTAFAKXYJCJIP-JOCHJYFZSA-N 497.692 2.464 30 10 JEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)CC(=O)N1CCC(C(=O)OCC)CC1 1626511916 XBGIGNMOIZELFD-MRXNPFEDSA-N 459.971 2.282 30 10 JEEE N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCO[C@@H](c3ccc(OC(F)F)cc3)C2)c1 1641436745 COZHEORXCVSHLF-GOSISDBHSA-N 451.451 2.038 30 10 JEEE C#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)cc1 1659422916 CCSDFBDCQQLUMR-UHFFFAOYSA-N 458.483 2.382 30 10 JEEE C#C[C@@H](NC(=O)NC[C@@H](O)CS(=O)(=O)c1cccs1)c1ccc(Br)cc1 1683508357 QWVLNNCXZMVIFU-HUUCEWRRSA-N 457.371 2.319 30 10 JEEE COc1cc(C[C@@H](CO)CNC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)cc(OC)c1 1683843120 GPNKQENAUDCBMO-LJQANCHMSA-N 453.543 2.090 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1Cc1cccc(C(=O)NC)c1)[C@@H]1CCS(=O)(=O)C1 1689983790 HNLYSYOUPZAENY-LJQANCHMSA-N 498.996 2.028 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@H]1OCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1689985951 FULCRTGUFIMZQI-YLJYHZDGSA-N 458.584 2.396 30 10 JEEE C#CCN(c1nnc(COCC)n1CCc1csc(C(C)C)n1)[C@@H]1CCS(=O)(=O)C1 1689996698 MKWKXGAWSLARTQ-QGZVFWFLSA-N 451.618 2.264 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCS(=O)(=O)C(C)(C)C)CC1 1690132204 LBLWLCYHSUDTEH-UHFFFAOYSA-N 473.643 2.442 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OC(C)C)CCOC2)n1CCN1CCN(C)C(C)(C)C1 1690195775 PKTSDSOVBMWGJG-JWQCQUIFSA-N 458.651 2.337 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccsc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1690250829 MAQQPHRQQKQHLV-QRFRQXIXSA-N 465.645 2.382 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 1690667650 CCGMPDHPADHQIX-UHFFFAOYSA-N 451.506 2.117 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@H](C(C)C)C1 1690720028 YHJSLHZWUNLGOG-FQEVSTJZSA-N 464.588 2.424 30 10 JEEE CC(=O)NC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCCCCC2)CCO1 1690965370 BEYJOSQBFRUOPR-QFIPXVFZSA-N 482.585 2.155 30 10 JEEE CCOC[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCS(=O)(=O)C2)C1 1696385318 IFKLFRNXEOWOFX-WOJBJXKFSA-N 473.599 2.416 30 10 JEEE COc1cccc(Cl)c1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](C#N)C1 1697537860 BCNJCRUUPHALLA-CQSZACIVSA-N 453.890 2.364 30 10 JEEE C#CCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1705524769 RYVSLCZRXRHNGL-INIZCTEOSA-N 454.506 2.491 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@H]1CN(Cc2ccccc2)CCO1)[C@@H]1CCS(=O)(=O)C1 1705560414 KPETXPHGAOSVAF-YADHBBJMSA-N 485.654 2.103 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@]1(N(C)C)CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1705566863 REYCQCGZYQSPJT-PWHSHALESA-N 458.632 2.410 30 10 JEEE C#CCN(CC)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1705607551 HVVMFLICBKKSGV-SFTDATJTSA-N 452.584 2.480 30 10 JEEE C#CCN(CCOC)c1nnc(C2(c3ccccc3)CCC2)n1CC1(C(N)=O)CCOCC1 1705622502 KCQGOMRRDJNOJO-UHFFFAOYSA-N 451.571 2.116 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCOc2ccccc2C)CC1 1705644828 CQWINHDFCSJYHL-SANMLTNESA-N 481.597 2.283 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2Cc2cc(C)on2)CC1 1705647051 YLFQYZXZZZKERA-UHFFFAOYSA-N 464.526 2.273 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC)cc1OC 1705716882 XVMFJYIXILBLRQ-HXUWFJFHSA-N 479.603 2.079 30 10 JEEE C=C(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1705724452 OSIYKLHJXCTHTI-UHFFFAOYSA-N 492.628 2.241 30 10 JEEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1Cc2ccccc2[C@@H]1C 1705737176 LJVBAQZOAHAGHS-FXAWDEMLSA-N 461.588 2.285 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](c2cccc(Cl)c2)C1 1705927552 AOFMWUVLMOARMH-LJQANCHMSA-N 494.017 2.346 30 10 JEEE COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccnc(SC)c2)CC1 1712102766 FNUSGDMFAPJWSJ-UHFFFAOYSA-N 463.567 2.277 30 10 JEEE COCCN(CCC#N)c1nnc(-c2c[nH]c3ccccc23)n1C[C@H]1CCN(S(C)(=O)=O)C1 1712454424 FWZTYRCJJCIBIR-KRWDZBQOSA-N 471.587 2.074 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1C[C@@H]1CCCN(C(C)=O)C1)[C@@H]1CCS(=O)(=O)C1 1722358839 GJMAFGLRUDVFCQ-WIYYLYMNSA-N 490.029 2.484 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCCOC(F)F)CC1 1722445039 JORUEFBGMNNJJL-UHFFFAOYSA-N 461.469 2.269 30 10 JEEE C=C(Br)Cn1c(CC2CC2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1722486714 BMHPQGLJSBGWSU-UHFFFAOYSA-N 464.368 2.196 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N(CC)[C@@H]2CCS(=O)(=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1722498830 FHGHTLXXPQRIAP-UGTOYMOASA-N 482.647 2.313 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)C[C@H](C)C(=O)NC 1722507706 IWTABAVJTGJQFA-JBACZVJFSA-N 482.633 2.252 30 10 JEEE C=CCCOCCn1c(-c2ccc(Br)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1722623846 MYURERQSTAASGO-KRWDZBQOSA-N 464.364 2.252 30 10 JEEE C=CCN(Cc1cccs1)c1nnc(-c2cnn(C)c2)n1CCN1CCN(C(C)=O)CC1 1722662668 KMFBENCYWPBXNG-UHFFFAOYSA-N 454.604 2.097 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1Cc1ccsc1 1723951372 BKSFVNMVSBTUMC-OAHLLOKOSA-N 489.602 2.335 30 10 JEEE CCOC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2(CS(C)(=O)=O)CC2)C1 1728709059 CBUHWAMCKZSJFI-IBGZPJMESA-N 486.598 2.356 30 10 JEEE CNC(=O)CCCN(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccnc(-n2cccn2)c1 1729699167 HOQROHUBAXFWIT-UHFFFAOYSA-N 455.526 2.408 30 10 JEEE C#CCN(c1nnc(-c2ccccc2F)n1Cc1ccc(OC)nc1OC)[C@@H]1CCS(=O)(=O)C1 1740621756 OWRXXNBOGXHPDG-QGZVFWFLSA-N 485.541 2.171 30 10 JEEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC2(N(C)C)CCOCC2)CC1 1740699882 XFNSBSASTGQQIN-UHFFFAOYSA-N 466.630 2.340 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCc2ccc(F)c(F)c2F)CC1 1740704095 HPCJJBNTFOJQJR-UHFFFAOYSA-N 469.471 2.361 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OC)n2C[C@]2(O)CCC[C@H]2C)CC1 1740707416 BDSRWORHUMIJAN-NIYFSFCBSA-N 481.597 2.383 30 10 JEEE C#CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1740713911 NLFNVJWCMIOSRJ-PKOBYXMFSA-N 485.610 2.408 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCCN1CCCC 1740731694 FTOMVSOFGROABF-YZUZCNPQSA-N 492.690 2.258 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCS(=O)(=O)CC 1740774092 LPYIHYODUCYJLN-KRWDZBQOSA-N 471.624 2.424 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[C@H](C)N2CCCCC2)CC1 1740824941 GFNBEPSNPXGPQE-VQTJNVASSA-N 466.652 2.032 30 10 JEEE C=CCCOCCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@](C)(C(N)=O)C1 1740888883 KAYNVLWZDCWNKK-IBGZPJMESA-N 451.369 2.341 30 10 JEEE C=CCn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)C2(CCS(=O)(=O)CC2)C1 1740947093 OKTPICJXKYNGFE-QZTJIDSGSA-N 495.646 2.266 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc(-c2cccc(Br)c2)n1CCS(=O)(=O)N(C)C 1741124364 FHVKJHZPRSQWRI-ZDUSSCGKSA-N 455.382 2.195 30 10 JEEE CCOCc1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CC1(N(C)C)CCOCC1 1747247417 DOQJHEVYEONDLQ-NRFANRHFSA-N 454.575 2.375 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCNC(=O)OC(C)(C)C 1748670903 DOAZYYADQAMYQL-KRWDZBQOSA-N 454.579 2.435 30 10 JEEE C#CCN(c1nnc([C@@H](CC)c2ccccc2)n1CCCN1CCOC1=O)[C@@H]1CCS(=O)(=O)C1 1748805071 NTHWDTBDILHMRI-RTWAWAEBSA-N 485.610 2.289 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1cccc(C(C)(C)O)c1)[C@@H]1CCS(=O)(=O)C1 1748811637 JRSGBUQZWIJBDC-OAQYLSRUSA-N 465.579 2.243 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1CC(C)(C)CN(C)C)[C@@H]1CCS(=O)(=O)C1 1748820999 LCMSVAXSHBEDDO-OAQYLSRUSA-N 457.644 2.278 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCN(CCC)C1)[C@@H]1CCS(=O)(=O)C1 1748821103 LSOWQCQABXPBEP-FCHUYYIVSA-N 496.637 2.087 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H]1CCCCO1 1748959955 BQXORRORSYGSOM-SFHVURJKSA-N 450.543 2.330 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cnc(C(C)C)nc1 1749119546 UBVKFHCFHHVSRK-WDSOQIARSA-N 477.635 2.419 30 10 JEEE C=C(C)COCCn1c([C@H]2COc3ccccc3O2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1749228958 FXDVJXCMMFNTAT-QFBILLFUSA-N 450.561 2.253 30 10 JEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OCc2ccccn2)cc1 1749488818 NAGPVQIIKLGOOE-JOCHJYFZSA-N 498.609 2.256 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCN(CC)C1 1749538436 VZFDHGDPTDTIRT-VXKWHMMOSA-N 488.658 2.145 30 10 JEEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1749609124 AVBOWCSMHMBGHC-UHFFFAOYSA-N 486.558 2.328 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1749653115 WGEKGMLJHIZHEY-UNMCSNQZSA-N 452.603 2.281 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC(NC(=O)c2ccc(C)s2)CC1 1749734156 FLGPYIPJBPYOMB-QGZVFWFLSA-N 493.655 2.152 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H](C)CN1CCN(CC)CC1 1760112392 GAQYQDBPTWVUOD-FGZHOGPDSA-N 479.677 2.184 30 10 JEEE C#C[C@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CCNC(=O)Cc1cccc(F)c1 1760119404 ZMWGUSLEZINURD-SFHVURJKSA-N 459.529 2.473 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@H]1OCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1760193166 VPFFLTGELAXHKA-YLJYHZDGSA-N 476.574 2.438 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccc(C)n(C)c1=O 1760288795 AKNOSGQKLXZPCO-XMMPIXPASA-N 465.579 2.396 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 1760518835 JCJXHOKROQMCBD-UHFFFAOYSA-N 484.582 2.050 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1760555536 HUIWPEZAAFLRPI-OALUTQOASA-N 463.608 2.170 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCc3ccc(Cl)nc3C2)nnc1[C@@]1(OCC)CCOC1 1760558709 XWIRNVBAYLIDRJ-OAQYLSRUSA-N 482.006 2.142 30 10 JEEE COC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1767982933 FDQUJYVIDCYHIT-UHFFFAOYSA-N 465.602 2.409 30 10 JEEE CNC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCC[C@@H]2C)C1 1769215324 BORNFFUVKUDYOY-RGZWJVDOSA-N 452.559 2.242 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)CN2CCN(S(=O)(=O)c3ccc(CC)cc3)CC2)nc1C 1858631803 YCPKMUBJMHBKSU-UHFFFAOYSA-N 492.623 2.302 30 10 JEEE COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2CCNC(C)=O)cc1 1862419425 UXEXREQKERGBJV-IBGZPJMESA-N 458.417 2.466 30 10 JEEE N#Cc1cccc(NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CC[C@@H]2CCS(=O)(=O)C2)c1 1866924711 XDCILVNEPGNDBF-DYESRHJHSA-N 455.536 2.145 30 10 JEEE CCN(CC)CCNC(=O)c1ccc(-n2nnc(C#N)c2NC(=O)c2cccc(C#N)c2)cc1 1870158632 GTHLNVIZSHKMCM-UHFFFAOYSA-N 456.510 2.335 30 10 JEEE Cc1nc(SCc2cc(=O)c(OCCO)cn2CCN2CCOCC2)c(C#N)c(C)c1C 1870239023 BQXOOSWIZKNZIA-UHFFFAOYSA-N 458.584 2.036 30 10 JEEE CCCOC(=O)CSc1nnc(CCOC)n1/N=C/c1cc2c(cc1[N+](=O)[O-])OCCO2 1874474854 WDXFIRYGZDAAEJ-RGVLZGJSSA-N 465.488 2.074 30 10 JEEE CC(=O)Nc1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)N2CC[C@H](Oc3cc(C#N)ccn3)C2)cc1 1891176830 YOMQMBSQSYLVSX-RBBKRZOGSA-N 497.577 2.135 30 10 JEEE CN1CCN(CC#CCOC2CCN(C(=O)c3ccc(Br)c([N+](=O)[O-])c3)CC2)CC1 1891264891 WRENUCASGJQAEG-UHFFFAOYSA-N 479.375 2.229 30 10 JEEE C=CCN1C(=O)C(=Cc2c(N3CCN(C(=O)OCC)CC3)nc3ccccn3c2=O)SC1=S 2040498243 GCORCNQLMOAJKS-UHFFFAOYSA-N 485.591 2.360 30 10 JEEE CC(C)(C)OC(=O)NCC(CNC(=O)OC(C)(C)C)NCCS(=O)(=O)c1cccc(C#N)c1 2116938011 YERCGSRRASENQQ-UHFFFAOYSA-N 482.603 2.340 30 10 JEEE CC(C)(C)OC(=O)NCCC(CCNC(=O)OC(C)(C)C)NS(=O)(=O)N1CCC[C@H](C#N)C1 2140759118 BKAVZCXEJDOKQG-MRXNPFEDSA-N 489.639 2.255 30 10 JEEE CC1=C(B2OC(C)(C)C(C)(C)O2)CN(C(=O)[C@@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)CC1 2201824018 WRDPTXLZZDRRGS-KRWDZBQOSA-N 484.424 2.201 30 10 JEEE C=C(Br)CS(=O)(=O)N1CCN([C@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)CC1 2226061891 MDUHDNXOQOZDJS-GJZGRUSLSA-N 452.415 2.288 30 10 JEEE CON(CCNS(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1)C(=O)OC(C)(C)C 2255933978 WNAFGPOLSQVJPI-UHFFFAOYSA-N 476.426 2.433 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)[C@@H](F)C1 2256639059 GANMFMKXIDBWSR-OLZOCXBDSA-N 455.361 2.264 30 10 JEEE CCc1nn(C)c(C(=O)NCC[C@@H](C)NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267133586 DJMUZAYXYZVZPB-CQSZACIVSA-N 450.389 2.315 30 10 JEEE Cc1csc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2CO)c1B1OC(C)(C)C(C)(C)O1 2267151413 HXAPVCVTNKGNIP-OAHLLOKOSA-N 466.409 2.410 30 10 JEEE Cc1ccc(S(=O)(=O)NCC2CN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2267363431 JBVWQKIZKRIFBG-UHFFFAOYSA-N 466.409 2.439 30 10 JEEE CON(CCCNS(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2267378132 JWAIPVLPFRDUOM-UHFFFAOYSA-N 470.397 2.453 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1COC[C@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2267454327 TYDXDKLQXNWUNW-SJORKVTESA-N 450.316 2.147 30 10 JEEE C[C@@H]1CCN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1NC(=O)C(F)(F)F 2267465660 PVGUERFESRBDLJ-YPMHNXCESA-N 482.355 2.125 30 10 JEEE CC1(C)OB(c2cscc2S(=O)(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)OC1(C)C 2267470686 AWCXXCCYUOIWHX-SFHVURJKSA-N 478.445 2.227 30 10 JEEE C=C(CS(=O)(=O)NC[C@]12CN(C(=O)OC(C)(C)C)C[C@@H]1CCO2)B1OC(C)(C)C(C)(C)O1 2267471150 QIUFKGNIKATHPV-KKSFZXQISA-N 472.413 2.119 30 10 JEEE Cc1nc(C(=O)N2CC[C@H](C)[C@@H](NC(=O)C(F)(F)F)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2267480785 FQPGBVHQLXPNIQ-JQWIXIFHSA-N 461.315 2.280 30 10 JEEE COC[C@@]1(NC(=O)c2occc2B2OC(C)(C)C(C)(C)O2)CCN(C(=O)OC(C)(C)C)C1 2267483678 WZDXXMXQZXHJRU-JOCHJYFZSA-N 450.341 2.335 30 10 JEEE CC(C)[C@](C)(CNC(=O)OC(C)(C)C)NC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2267502897 VBPCSMJJTXTLGY-QFIPXVFZSA-N 450.389 2.389 30 10 JEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@]2(C)CCCN(C(=O)OCc3ccccc3)C2)n1 2267544641 XDHZIPAIWRRYAX-XMMPIXPASA-N 483.378 2.035 30 10 JEEE C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2sc(B3OC(C)(C)C(C)(C)O3)cc2C1 2268642825 HZIAFFGGQVXTKB-SUMWQHHRSA-N 466.409 2.206 30 10 JEEE CO[C@]1(C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)CCN(C(=O)OC(C)(C)C)C1 2268645429 PEUPXVSQYDUWLB-OAQYLSRUSA-N 467.397 2.085 30 10 JEEE COC[C@@H](ONC(=O)OC(C)(C)C)C(=O)Nc1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)n1 2268657537 IYIMMTBICXICBW-CYBMUJFWSA-N 471.747 2.444 30 10 JEEE CC(C)(C)OC(=O)NCc1nc(C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)co1 2268670808 YMIYVZXBPWJPQR-UHFFFAOYSA-N 464.353 2.385 30 10 JEEE C[C@H](NC(=O)CN(C)CCNC(=O)OC(C)(C)C)c1nscc1B1OC(C)(C)C(C)(C)O1 2268723569 WNEFHCMESBTDEY-AWEZNQCLSA-N 468.429 2.076 30 10 JEEE CC1(C)OB(c2sccc2CS(=O)(=O)N2CCC(NC(=O)C(F)(F)F)CC2)OC1(C)C 2270586747 OQMNIXOZHUIXJA-UHFFFAOYSA-N 482.355 2.020 30 10 JEEE Cn1cc(C(=O)NC[C@]2(F)C[C@H](CNC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2281964405 XPDVAOHUFDKLRM-CAJLXGCNSA-N 466.363 2.092 30 10 JEEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)N(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2282014025 DMFZEQKONZMYQC-CVEARBPZSA-N 460.384 2.493 30 10 JEEE CN(CCc1n[nH]c(NC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)n1)C(=O)OC(C)(C)C 2282020012 TUDQRXCWTDWTQD-UHFFFAOYSA-N 478.384 2.222 30 10 JEEE C[C@@H](NC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1)C1CCN(C(=O)OC(C)(C)C)CC1 2282049081 UJBGXSHXSGZPNM-OAHLLOKOSA-N 462.400 2.485 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC2(CCO)CN(C(=O)OC(C)(C)C)C2)c1 2282109047 BQACHMUSJDWHRF-UHFFFAOYSA-N 460.380 2.396 30 10 JEEE Cc1ccc(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 2282112325 AMLBTAYAVYZEOT-RBUKOAKNSA-N 460.380 2.394 30 10 JEEE Cc1ccc(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 2282112326 AMLBTAYAVYZEOT-RTBURBONSA-N 460.380 2.394 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@]23CC[C@@H]2CN(Cc2ccccc2)C3)n1 2282536348 BCVVGCGARHVCLT-KBMIEXCESA-N 450.392 2.361 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CC[C@H]2C[C@H]1CN2C(=O)OC(C)(C)C 2282540073 DRKDSACGXGJATC-ZOBUZTSGSA-N 460.384 2.237 30 10 JEEE Cn1nc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC(C)(C)C2)cc1B1OC(C)(C)C(C)(C)O1 2282613933 OHQCARQOXKRJOF-HNNXBMFYSA-N 462.400 2.485 30 10 JEEE C[C@H]1C[C@H](NC(=O)C(F)(F)F)CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2O)C1 2282820291 SKFJDSUUHQDEDV-JSGCOSHPSA-N 456.270 2.221 30 10 JEEE CC(C)(C)OC(=O)NCC1(F)CCN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CC1 2283070130 VEMJJIYJBUXWSM-UHFFFAOYSA-N 464.347 2.245 30 10 JEEE CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2283979044 JHZPCNNTVRUCRV-HNNXBMFYSA-N 482.412 2.046 30 10 JEEE CN(CCNC(=O)OC(C)(C)C)CC(=O)NCCc1ccccc1B1OC(C)(C)C(C)(C)O1 2284067822 SYWRYIXKQAUFHL-UHFFFAOYSA-N 461.412 2.101 30 10 JEEE CC(C)(C)OC(=O)NC1CC(O)(C(=O)N2CCc3sc(B4OC(C)(C)C(C)(C)O4)cc3C2)C1 2284130332 SQQCWFJETXWHNO-UHFFFAOYSA-N 478.420 2.350 30 10 JEEE C=CCN1C(=O)C(=Cc2cc(I)c(OC)c(OC)c2)C(=O)NC1=S 2294199339 UDILWVUBZJCOQE-UHFFFAOYSA-N 458.277 2.121 30 10 JEEE CN(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C)[C@H]1CCN(C(=O)OCc2ccccc2)C1 2315537276 STSULFHEPJISGS-SFHVURJKSA-N 468.363 2.202 30 10 JEEE CCn1c(N2CCN(CCO)CC2)c(/C=C2\SC(=S)N(CC(C)C)C2=O)c(C)c(C#N)c1=O 33468054 YBOBYYYCGCRVHU-UNOMPAQXSA-N 489.667 2.020 30 10 JEEE COc1cccc(C(=O)/C(C#N)=c2\s/c(=C/c3cnn(C)c3)c(=O)n2-c2cccc(C)c2)c1 96940709 KJTOWGWNDBSOOO-MJFNULKXSA-N 456.527 2.336 30 10 JEEE COCCCN1C(=O)C(=O)/C(=C(\O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@@H]1c1cccc(O)c1 103224335 BIMKDNDBUOUUQR-LCPUNJGISA-N 474.535 2.101 30 10 JEEE CCCOc1c(OC)cc(/C=N/NS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc1[N+](=O)[O-] 169907737 SGGIPSCQDHGGPH-VXLYETTFSA-N 450.429 2.139 30 10 JEEE C=CCOc1ccc(C=c2sc3nc(=O)c(Cc4ccc(OC)c(OC)c4)nn3c2=O)cc1 254491673 DLOYHOVNBWWKSZ-UHFFFAOYSA-N 463.515 2.232 30 10 JEEE CCN(C(=O)C#CCNC(=O)OCC1c2ccccc2-c2ccccc21)[C@H]1COC[C@H]1C(=O)O 757479393 KYDQXVIEGLTFQE-PKTZIBPZSA-N 462.502 2.477 30 10 JEEE C#CC[C@]1(C(=O)Nc2ncn(CC(=O)N3CCCCCC3)n2)CCCN1C(=O)OC(C)(C)C 1125742426 RJIXUBAEDRLEOA-HSZRJFAPSA-N 458.563 2.412 30 10 JEEE C=CCNS(=O)(=O)c1ccc(C(=O)NCc2cccc(CN3C(=O)CSC3=O)c2)cc1 1137629969 JGJCXJHXBMMGNK-UHFFFAOYSA-N 459.549 2.276 30 10 JEEE C=CCn1c(S)nc2cc(C(=O)N[C@@H](C(=O)OC)c3ccc4c(c3)CCO4)ccc2c1=O 1138680000 FJHFXYDSHHECQF-LJQANCHMSA-N 451.504 2.450 30 10 JEEE C#Cc1ccc([C@H](OC(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)C(F)(F)F)cc1 1272442774 GXIIENWBEHRCAD-SFHVURJKSA-N 456.442 2.488 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1CCCS1)[C@H]1CCS(=O)(=O)C1 1286389248 ZUKYBUIUCDGVOE-ROUUACIJSA-N 476.624 2.485 30 10 JEEE C#CCN(c1nnc(CCN2CCN(c3ccccc3)CC2)n1C/C=C/CC)[C@@H]1CCS(=O)(=O)C1 1286394871 XJHABBYIMLIFBA-ZHMUPQBKSA-N 496.681 2.236 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2OC)n1CC1(C(N)=O)CCOCC1 1286424570 ZMULIBSARVVQRC-UHFFFAOYSA-N 455.946 2.352 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(c2cnn(CC)c2)CC1 1286546387 IWQMIBRQPMMZPW-QFUCXCTJSA-N 491.662 2.470 30 10 JEEE C=CCC(C)(C)Cn1c(-c2ccccc2F)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1286669453 GMLOTNIMXHDUGB-UHFFFAOYSA-N 484.576 2.194 30 10 JEEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CC(=O)N(c2ccccc2)C1)C1CC1 1286732330 PWUJFCANNHVGEA-IAGOWNOFSA-N 458.588 2.096 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(OC)nc2OC)C1 1286798039 GPRQJYMXKTVBRW-QGZVFWFLSA-N 465.514 2.167 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2c(F)cccc2N2CCCC2)C1 1286801110 WEWLQBBZEDDVKA-ZWKOTPCHSA-N 492.621 2.457 30 10 JEEE CN1CC[C@](O)(Cn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CCC(C#N)CC2)C1 1298881571 HPRWLYWQLIHNPF-NTKDMRAZSA-N 473.622 2.199 30 10 JEEE CC(=O)c1cccc(S(=O)(=O)NCCC(=O)N2CC[C@@H](N(C)c3cccc(C#N)c3)C2)c1 1300018280 FNRXMUVOAQYWRN-OAQYLSRUSA-N 454.552 2.167 30 10 JEEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 1300336921 QFWOPWQLKRHRNO-NHCUHLMSSA-N 471.650 2.037 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1Cc1cccc(CN2CCO[C@H](C)C2)c1)[C@@H]1CCS(=O)(=O)C1 1300495020 BMZYACBZBYYETF-ZJSXRUAMSA-N 499.681 2.372 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1Cc1ncccc1N(C)C)[C@H]1CCS(=O)(=O)C1 1300502067 QLEIXCSZOZZJFP-SFHVURJKSA-N 470.624 2.066 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCC(=O)N1CCCCCC1 1300657255 IVNGPMWVSVWQLQ-UHFFFAOYSA-N 487.626 2.227 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2Cc2ccnc(OCC(F)(F)F)c2)CC1 1300703236 CFZLDYHVSUSBLS-UHFFFAOYSA-N 471.487 2.404 30 10 JEEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](CC)Oc2cccc(F)c2)CC1 1300707073 VJNAZDUKURBNFY-HXUWFJFHSA-N 454.550 2.152 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H](C)OC)CC1 1300716369 LPZRKTCKVDWCJI-AWEZNQCLSA-N 463.380 2.047 30 10 JEEE C=C(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1300935471 RLMPOLJVBRRODY-IBGZPJMESA-N 484.557 2.314 30 10 JEEE C=C1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCCN(C)S(=O)(=O)CC)CC1 1301080909 WZSNDTWECDSQLO-UHFFFAOYSA-N 485.614 2.020 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c(-c2cnccn2)nnc1N1CCO[C@@]2(CCOC2)C1)C(C)C 1301368007 WUWHIPISBFPJRL-URXFXBBRSA-N 453.591 2.429 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1301493429 YFVGZMGSOHOPNF-XDHUDOTRSA-N 471.558 2.039 30 10 JEEE CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H](C)CN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1313618469 BUNNECCGQGHMQJ-PZJWPPBQSA-N 486.642 2.474 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1(S(C)(=O)=O)CCC1 1358870403 MQWUULCWWXTXEX-OAHLLOKOSA-N 463.991 2.287 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCN(CC)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1358960728 KODDYZMOPYGBBX-KRWDZBQOSA-N 476.603 2.157 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@H]2C(F)(F)C23CCC3)CC1 1359041419 VYYRPDVKBPPFCP-WMZOPIPTSA-N 465.545 2.403 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@H](NC(=O)CCC)C1 1359293365 OAZHMLAOQADILD-INIZCTEOSA-N 492.422 2.233 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2Cc2nncn2C)C1 1359319648 CICBCOQNWZMZAE-GOSISDBHSA-N 472.594 2.351 30 10 JEEE C#C[C@H](C)N(C)c1nnc(Cc2csc(C)n2)n1CCNS(=O)(=O)c1ccc(C)s1 1507540757 IMOLBMKTKDWREC-ZDUSSCGKSA-N 464.642 2.440 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3csc(C)n3)n2CCCS(C)(=O)=O)c1 1507551268 BWNAXKGXEXQGDL-UHFFFAOYSA-N 486.623 2.125 30 10 JEEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCn1cc(Br)cn1 1507606155 BQZXLVYBELLUEJ-UHFFFAOYSA-N 463.361 2.077 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1Cc1nc(C(C)C)cs1)[C@@H]1CCS(=O)(=O)C1 1507623231 PZYUVDXHAJWINX-QGZVFWFLSA-N 492.671 2.451 30 10 JEEE C#CCN(c1nnc(C2CC2)n1C[C@@H](CC)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1507630793 HRZSHKJPHIOCBB-IAGOWNOFSA-N 451.593 2.086 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(F)ccc2Br)n1CCS(=O)(=O)CC 1507643726 QSETWKYDGUZSEX-UHFFFAOYSA-N 453.337 2.354 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1C[C@](O)(c1ccccc1)C(F)(F)F 1507658584 DGNBZCDDKFBXQH-QFIPXVFZSA-N 459.472 2.427 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1C[C@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1507659308 QFMCDEAHLRHCEG-PCCBWWKXSA-N 496.612 2.001 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C)cc2SC)CC1 1507731307 FMKMCOXQQODSOH-LJQANCHMSA-N 459.641 2.014 30 10 JEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](CNC(=O)c2ccccc2)C1 1507753673 HXUNZZJIZMSXCU-ICSRJNTNSA-N 466.611 2.242 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCS(=O)(=O)Cc1ccccc1 1507820760 MFHRGBAONKRTIH-IBGZPJMESA-N 466.629 2.198 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCC(CNC(C)=O)CC1 1508090285 GKWMITISOLMAJJ-UHFFFAOYSA-N 454.575 2.129 30 10 JEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCc2cc(F)cc(C)c2C1 1508144658 WKJSIMKCNXMECI-UHFFFAOYSA-N 461.563 2.012 30 10 JEEE CC(=O)NC[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCCC2)C1 1508354245 FVRODECZGSLGQP-FQEVSTJZSA-N 452.559 2.386 30 10 JEEE CC(C)[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2ncccn2)CC1 1508848720 BIRMAEWBMZIDCN-XMMPIXPASA-N 462.558 2.252 30 10 JEEE CN(C)C(=O)[C@H]1CCCN1CCCn1c(-c2ccccn2)nnc1N1CCC(CC#N)CC1 1516945620 CSXDVTOJUSMQOZ-OAQYLSRUSA-N 450.591 2.413 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@]1(C)COCCO1 1539003984 RNKKRZNYPYMGQM-XDHUDOTRSA-N 450.543 2.499 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCCOC[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1539210927 FJFMLEONAFRFLZ-MJGOQNOKSA-N 494.017 2.063 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@](C)(O)c1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 1539215624 HEJSOXLMXYNMRD-OPAMFIHVSA-N 473.986 2.461 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1CC[C@@H]1CCO[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1539225829 QHUFYWLOYVIGFW-HQRMLTQVSA-N 477.656 2.466 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1C[C@H](F)CN1Cc1cccs1 1539296368 OUQQTRLKXHNXFV-QYZOEREBSA-N 492.646 2.025 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)c1ccc2c(c1)OCCO2 1539416492 OQOFIUHPVJDSBC-GOSISDBHSA-N 488.610 2.015 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@H]2CC[C@H](CO)O2)CC1 1539476529 ZUNJWYPKQNUZMR-ZWKOTPCHSA-N 457.962 2.104 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2ccnc(C(F)(F)F)c2)CC1 1539489148 HVTWTXQWGCBNLG-UHFFFAOYSA-N 450.465 2.243 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCc2cccc(F)c2F)CC1 1539490531 XECUHPIKMLHWBT-UGKGYDQZSA-N 487.551 2.489 30 10 JEEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1539758649 QFQZZYUJBCVOHF-IAGOWNOFSA-N 458.588 2.110 30 10 JEEE C=C(Cl)Cn1c([C@H](C)OCCOC)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1539779432 XBYWHPJTOIZHDD-MOPGFXCFSA-N 469.030 2.278 30 10 JEEE C=CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C(=O)NC)C1)c1ccccc1 1539939582 ISOYCQDXGBJQQV-MISYRCLQSA-N 474.631 2.211 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1540864456 AMMSYWAQOZLAJG-QHCPKHFHSA-N 487.511 2.334 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(=Cc2cccc(OC)c2)CC1 1540871449 MBYPGVOOJOOAAA-FQEVSTJZSA-N 485.610 2.175 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(Cc2cc(C)ccc2OC)CC1 1540872953 HMKRTAPAMSDEIM-UHFFFAOYSA-N 475.597 2.205 30 10 JEEE C=CCNC(=O)Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCN2CCOC[C@H]2C1 1540874239 ZBVDEAOKIBQOCM-HXUWFJFHSA-N 489.020 2.075 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@H](CNC(C)=O)C1 1540874733 QBMDUCWTKGIJRO-HXUWFJFHSA-N 454.575 2.129 30 10 JEEE C[C@@H]1CC(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CC(=O)N2CCOCC2)C[C@@H](C)O1 1543651129 FXURPGRWWRRTCV-QZTJIDSGSA-N 452.559 2.315 30 10 JEEE Cc1c(NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)nnn1CCOc1ccc(F)cc1 1556366220 IATMYMALFJQHCF-UHFFFAOYSA-N 457.487 2.230 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCO[C@@H]1CCOC1 1587574136 CAQDDTUSCAKBDD-FUHWJXTLSA-N 460.604 2.200 30 10 JEEE C#CCCCCn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1587765981 NIHCKNIPFUTWSI-VXKWHMMOSA-N 456.635 2.499 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1CCCC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1588035012 OIUQJIHLZFONSF-KRWDZBQOSA-N 495.552 2.042 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@H](Cc1ccccc1)OC)[C@H]1CCS(=O)(=O)C1 1588045539 MIXZRXDWTMAFKQ-SFTDATJTSA-N 467.595 2.168 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccccc1)N1CCCC1 1588139122 MFAOKCZHRQMTDB-FGZHOGPDSA-N 451.596 2.090 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCOc2ccc(OC)cc2)CC1 1588865135 PXXZAJQRZAGJKY-UHFFFAOYSA-N 480.594 2.112 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@](C)(O)CCOC 1589216188 LJOJXWWKKNPEJL-QFWMQHCXSA-N 477.606 2.366 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@H]2CCCN2CC)C1 1595688872 QIDBLKJQVUVWDM-LEWJYISDSA-N 488.658 2.461 30 10 JEEE CC(=O)N1CC[C@@H](CN(C)c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCOC2)C1 1596005529 FKECBHIZDHFWSH-LEWJYISDSA-N 452.559 2.460 30 10 JEEE Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 1608584099 BRFQHXVMMKJNDR-ZDUSSCGKSA-N 458.569 2.261 30 10 JEEE C[C@@H](CNC(=O)OC(C)(C)C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1 1611627308 GWABZGPSMDWTPS-DOTOQJQBSA-N 466.608 2.081 30 10 JEEE CNS(=O)(=O)c1ccc([C@@H](C)NS(=O)(=O)c2cccc(Br)c2C#N)cc1 1621679671 FVSGORKTMTYBNJ-LLVKDONJSA-N 458.359 2.268 30 10 JEEE N#Cc1ccc(N2C[C@H](C(=O)NCCN3Cc4ccccc4OCC3=O)CC2=O)cc1Cl 1625834172 HRDXEGVXVWMZJJ-QGZVFWFLSA-N 452.898 2.102 30 10 JEEE CCC[C@@H](C)NC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N2CCOCC2)C1 1649632932 DFULQPMOMCZQIX-KNQAVFIVSA-N 493.612 2.197 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ccc(C)nc1 1690036846 DFLNTTJGKDJDNS-UHFFFAOYSA-N 462.579 2.410 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccc(COCC)cc2)CC1 1690113536 MIUMZGNNGPQZHJ-VWLOTQADSA-N 453.587 2.270 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCCc2cccc(C)n2)CC1 1690146322 LCMGJWDGVSPRQP-NRFANRHFSA-N 450.587 2.474 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2C[C@H](CC)NC(=O)OC(C)(C)C)CC1 1690150798 VSCYBBNKXFVHHZ-IBGZPJMESA-N 458.607 2.500 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCN1CCN(C(C)=O)CC1 1690216908 YTZJVQXCKLWUIQ-DNRQZRRGSA-N 456.635 2.353 30 10 JEEE C=C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2CCCCS2(=O)=O)CC1 1690367219 GNICDBJVAJLBCQ-LJQANCHMSA-N 464.613 2.472 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@@H](C)[C@@H](F)C1 1690671590 ZOFVRLIKANBVFP-ZACQAIPSSA-N 450.559 2.489 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(Cc2cc(C)ccc2OC)CC1 1690673712 BAASXJNZAOZJKN-UHFFFAOYSA-N 475.597 2.205 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(c2cc(F)cc(F)c2)CC1 1690722624 PTKGDTQPIDQEOP-UHFFFAOYSA-N 462.526 2.479 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@H](C)O[C@H](COC)C1 1690725376 NYLXQENPTAWZOW-LPHOPBHVSA-N 469.007 2.363 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2C[C@@H]2CCSC2)c1 1705508641 ZBKHNBSTANABJQ-SFHVURJKSA-N 452.584 2.210 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H](C)N1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1705565267 HSMOLWKAYKZRAB-HKBOAZHASA-N 463.648 2.267 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1cccnc1OCC(F)F)[C@H]1CCS(=O)(=O)C1 1705566903 RSVQJHFOVIMYOS-ROUUACIJSA-N 495.552 2.234 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OC)n2C[C@@H]2CCCCO2)CC1 1705651278 QJJDZRZTWVBMGD-FQEVSTJZSA-N 467.570 2.401 30 10 JEEE C#CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1705656382 VTYVPZDSWSIVPL-KRWDZBQOSA-N 489.001 2.446 30 10 JEEE C=C(Br)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CCOC)C(=O)C1 1705683244 YXRIZTAQXOIAFK-UHFFFAOYSA-N 455.744 2.197 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 1705693445 GQHNYSPTRAVAKP-REWPJTCUSA-N 498.603 2.428 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(SC)cc1 1705843569 IREVMWJFWLXCKX-SFHVURJKSA-N 451.618 2.198 30 10 JEEE C=CCn1c(Cn2ccc3ccccc32)nnc1N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 1705892565 PAQOIBVITPHPEN-FQEVSTJZSA-N 472.615 2.344 30 10 JEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCN(c2ccc(F)c(OC)c2)CC1 1705906196 WREPIPKWASNFGW-UHFFFAOYSA-N 485.589 2.410 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H]2CCCCS2(=O)=O)C1 1705926726 JQQRQTAXQKWZJI-ZWKOTPCHSA-N 451.618 2.382 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCN1C[C@H](C)O[C@@H](C)C1 1722279396 HFDFTUNPJFDMSZ-FHWLQOOXSA-N 459.616 2.306 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCO[C@H](C)C2)c1 1722307135 YYGOVDSUIPLNPT-QUCCMNQESA-N 464.570 2.385 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1CCN1CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1722359200 JLFSVZNXYSKXTP-AZUAARDMSA-N 487.626 2.073 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCCN1C[C@H](C)C[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1722361848 QLKUEJRZAKVWDH-AQNXPRMDSA-N 458.632 2.268 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H](c1cccnc1)C(C)C)[C@H]1CCS(=O)(=O)C1 1722362018 QXGVGLUYUXBWDO-PMACEKPBSA-N 465.583 2.197 30 10 JEEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCO[C@H](C)C1 1722424859 CFVMCOYJLSIWET-MSOLQXFVSA-N 460.604 2.139 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC(C(=O)NC)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1722498770 DSBWNLATVSAHJW-JXALWOEJSA-N 461.607 2.262 30 10 JEEE C=C(Cl)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)NCCCOC(C)C)CC1 1722541722 QSAHGGUISMESAZ-UHFFFAOYSA-N 467.014 2.414 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc(C(=O)Nc2ccccn2)n1C[C@]1(O)CCN(C)C1 1722689122 FWIPVRWGVBIQTR-VWLOTQADSA-N 461.570 2.227 30 10 JEEE C=CCn1c(-c2ccccc2OC)nnc1N1C[C@@H]2[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1722703643 XHKBEOFKYWGPCS-ZIFCJYIRSA-N 489.598 2.266 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCS[C@@H](C)C1 1722728617 SGEIETUKFZPTOX-YJBOKZPZSA-N 450.586 2.333 30 10 JEEE CNC(=O)[C@@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)N(C)C2CC2)C1 1729647708 GHUFKVDBFFLPSS-OSPHWJPCSA-N 451.575 2.174 30 10 JEEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1740572050 ZCVXHMCMOSKYGC-NHCUHLMSSA-N 466.634 2.109 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1CC1(O)CCCCC1)[C@H]1CCS(=O)(=O)C1 1740620091 NFOFLFDNDPEIMX-IBGZPJMESA-N 488.610 2.284 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H](C)OC)[C@H]1CCS(=O)(=O)C1 1740620333 VXMBWYLVSSCBDF-HOCLYGCPSA-N 454.499 2.208 30 10 JEEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(Cl)ccc1OC(F)F 1740630244 GTQHINQTPXZYRN-ZDUSSCGKSA-N 471.917 2.264 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1nc2c(s1)CCCC2 1740657725 WVEACJQERCBRPD-KRWDZBQOSA-N 457.625 2.221 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[S@](=O)C(C)(C)C)CC1 1740689788 IAWPELNISUZDIK-XIFFEERXSA-N 470.643 2.450 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cnn(Cc2ccccc2)c1 1740716852 BOLBPDXXERWWHZ-NRFANRHFSA-N 484.651 2.428 30 10 JEEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1740720133 YDCMBFMCGSMFBZ-UHFFFAOYSA-N 483.610 2.374 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)Nc1c(C)cccc1C 1740731738 ZOMMIGJQVYQYIN-WZONZLPQSA-N 455.584 2.428 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1740756212 OOCZVTLPDXBKKJ-HBFSDRIKSA-N 460.966 2.316 30 10 JEEE C=CCCOCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@H](C)O[C@@H](COC)C1 1740884893 QCXNJHUKMFENQQ-ZWKOTPCHSA-N 468.558 2.025 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c(-c2cnccn2)nnc1N1CCN2C(=O)CC[C@@H]2C1)C(C)C 1740925205 AGPWZNUHHWNNPE-CTNGQTDRSA-N 450.591 2.245 30 10 JEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCN(c2cc(C)nc(C(C)C)n2)CC1 1740963112 ZRAOQEFEOCJNCL-UHFFFAOYSA-N 495.657 2.484 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCCN1CCOCC1 1748665395 QFRYZYAGUSQGAY-IBGZPJMESA-N 463.586 2.245 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1oc2ccc(F)cc2c1C 1748672886 YFCYCWCWDJIMJF-XOBRGWDASA-N 475.546 2.311 30 10 JEEE C#CCCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@H](NC(C)=O)C1 1748701136 DIBLKUGAZNELNE-IBGZPJMESA-N 471.631 2.455 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CCN(C)[C@H](C)CC)CC1 1749017267 ZJFJWDXPWBNHAG-QGZVFWFLSA-N 457.648 2.330 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[C@@](C)(OC)C1 1749655761 RKYDIAMMFIIWBY-HSZRJFAPSA-N 459.547 2.278 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC[C@H](CNC(=O)c2ccccc2)C1 1749664540 RDRRWFIYJJJLPC-LJQANCHMSA-N 461.570 2.232 30 10 JEEE CS(=O)(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCCO2)C1 1750196358 BYLINYUIYNPNRT-PMACEKPBSA-N 459.572 2.311 30 10 JEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1760155368 WMPBIHFWNWVZGQ-SFHVURJKSA-N 473.002 2.445 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1CCO[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1760182205 CBQIWOCETYZUGC-NLWGTHIKSA-N 488.610 2.404 30 10 JEEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1CCCOC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1760190454 QTYUJANQYCXUEB-KRWDZBQOSA-N 496.515 2.070 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC(C)(C)N1CCOCC1 1760242895 RKAPLEAPOMUELV-UHFFFAOYSA-N 468.602 2.344 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCc2nccn2C1 1760248972 GVABLJVMDJLUEW-VQTJNVASSA-N 499.616 2.132 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCN2CCCC(C)(C)C2)CC1 1760265080 NIPBWDVWCVMBON-UHFFFAOYSA-N 492.628 2.013 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](c2cccc(F)c2)N(C)C)CC1 1760389524 MJEGLLPRJOPHNC-SFTDATJTSA-N 492.621 2.209 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCCCS1(=O)=O 1760477701 IBNSNBOKWMPLHI-UXHICEINSA-N 473.599 2.398 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1760514957 PICSTNNBCSSUDQ-RTBURBONSA-N 452.559 2.312 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC(Cn2cncn2)CC1 1760526610 QQOUWYUSYVWRRZ-UHFFFAOYSA-N 464.574 2.284 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H]1c1ccc(OC)c(OC)c1 1760556216 XAYHWFFVZKAGPH-MSOLQXFVSA-N 489.598 2.189 30 10 JEEE C=CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(CNS(C)(=O)=O)CC1 1760563105 HAGIUNQODPXRJC-UHFFFAOYSA-N 493.655 2.401 30 10 JEEE CCN(CC)C(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1764869811 CDEDIVARCKCGCA-HXUWFJFHSA-N 472.615 2.479 30 10 JEEE CSc1ccc(F)cc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N 1771424754 DZQBOLRNPOJZCL-PBHICJAKSA-N 482.607 2.116 30 10 JEEE COc1cc(/C=N/n2c(CNC(C)=O)nnc2SCC(=O)N[C@@H](C)c2ccccc2)ccc1O 1874436418 ZYKKVONTYGLMCW-FCUAXUHVSA-N 482.566 2.480 30 10 JEEE Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CC[C@H](Oc4cc(C#N)ccn4)C3)C2)cc1 1890143613 CLSRZNJDAOVNDA-UXHICEINSA-N 454.552 2.342 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)S(=O)(=O)C(C)(C)C1 2197738686 FGVYWOZREYYSIE-UXHICEINSA-N 490.626 2.036 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCc1sccc1B1OC(C)(C)C(C)(C)O1 2256622985 OFKDSDQPERYKIX-UKRRQHHQSA-N 452.382 2.034 30 10 JEEE CC(C)(C)OC(=O)N[C@H](C(=O)N1C[C@H]2C(B3OC(C)(C)C(C)(C)O3)[C@@H]2C1)[C@H](O)C(F)(F)F 2265312181 PUYNSJMTUBCYAH-RFHZTLPTSA-N 464.290 2.354 30 10 JEEE C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CN(C(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)CCO1 2267174778 WOBKOPNNEGORLX-UKRRQHHQSA-N 467.397 2.197 30 10 JEEE CC(C)C[C@H](CNC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2267184928 YLHGVAXKSIIXNN-OAHLLOKOSA-N 450.389 2.389 30 10 JEEE CO[C@H]1C[C@H](CNC(=O)OC(C)(C)C)N(C(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C1 2267196573 FYYXVGLIHUZDBC-KGLIPLIRSA-N 467.397 2.197 30 10 JEEE CS[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn1C 2267266707 FHCWYDGTLJORSN-DOTOQJQBSA-N 465.425 2.405 30 10 JEEE CN(C[C@@H](O)COCc1ccccc1)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2267470515 LVDYVIHAVMVPHC-LJQANCHMSA-N 481.445 2.387 30 10 JEEE CC(C)(C)OC(=O)NCCOCCOCCC(=O)N1CC(CB2OC(C)(C)C(C)(C)O2)C1 2268193676 NEWRGHKRALZEMN-UHFFFAOYSA-N 456.389 2.485 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@]2(F)CCC[C@@]2(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2281983180 SKVWADJNWZLUNL-FCHUYYIVSA-N 464.347 2.320 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@H]1C 2282006775 YDHJTHKOHHBLTB-HUUCEWRRSA-N 462.400 2.498 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@]23CC[C@H]2CN(C(=O)OC(C)(C)C)C3)n1 2282040712 MOUZEDMSLGBYRK-WNSKOXEYSA-N 460.384 2.096 30 10 JEEE COC(=O)[C@]1(NC(=O)OC(C)(C)C)C[C@H](NC(=O)c2csc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282067622 QVWIMLCMLKPXIF-CAJLXGCNSA-N 480.392 2.376 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](CO)[C@@H](NC(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282191236 MMHJIRIRMDIZOL-HKUYNNGSSA-N 460.380 2.334 30 10 JEEE Cc1nc(C(=O)Nc2nnc(CCNC(=O)OC(C)(C)C)o2)c(B2OC(C)(C)C(C)(C)O2)s1 2282520946 ULEBKFVGYUWARJ-UHFFFAOYSA-N 479.368 2.453 30 10 JEEE Cn1ncc(C(=O)N2C[C@H]3CCC[C@]3(NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2282538107 ATQMMZGHCKEZMK-CMJOXMDJSA-N 460.384 2.239 30 10 JEEE Cc1c(C(=O)N2CCCN(C(=O)OC(C)(C)C)C[C@H]2C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282548422 XWIWPGVVWJUDKN-OAHLLOKOSA-N 462.400 2.499 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCOC[C@@H](NC(=O)OC(C)(C)C)C2)n1 2282552325 JUPAUPFVHBMTGC-INIZCTEOSA-N 461.368 2.055 30 10 JEEE CC[C@@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2CN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2282563991 NHMCVWDISTUHKY-BFYDXBDKSA-N 460.384 2.426 30 10 JEEE Cc1nn(C)c(C(=O)NC[C@@H]2C[C@@H](C)N(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2282585868 RAMKDJJAFAAMFG-ZBFHGGJFSA-N 462.400 2.403 30 10 JEEE Cn1nc(C(=O)N[C@H]2C[C@H]3C[C@H]2C[C@H]3NC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2282621400 RIZIOVGQHQOFSY-XUWVNRHRSA-N 460.384 2.141 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1 2282678425 MHMFCKQXLSVJMD-VWLOTQADSA-N 453.392 2.174 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)N1CCc2cc(B3OC(C)(C)C(C)(C)O3)ccc2C1 2283977048 LEVPAINFCYMTBO-HNAYVOBHSA-N 460.380 2.145 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H](C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1)[C@@H]1CCOC1 2284044038 ZRMQQTDQWPNUBV-NVXWUHKLSA-N 461.368 2.497 30 10 JEEE CN(CCCCN(C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C)C(=O)OC(C)(C)C 2337206631 QDBAKNHNSBMUBX-UHFFFAOYSA-N 450.389 2.438 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@H](CCN=c2cc(B3OC(C)(C)C(C)(C)O3)c(F)c[nH]2)C1 2345725235 VECBWDYRWJZXAB-HNNXBMFYSA-N 451.348 2.380 30 10 JEEE Cn1ncc(I)c1CNc1cc(B2OC(C)(C)C(C)(C)O2)c(F)cn1 2345740059 YPVDZYXBXINYDE-UHFFFAOYSA-N 458.084 2.470 30 10 JEEE CC(C)(C)OC(=O)NCC1(O)CCN(c2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)CC1 2345740267 BJXOGECCDLHUIE-UHFFFAOYSA-N 451.348 2.376 30 10 JEEE CC(C)(C)OC(=O)N1CC(C(=O)N2CCC[C@@H](B3OC(C)(C)C(C)(C)O3)C2)(S(C)(=O)=O)C1 2351684728 BPEGAKNJZGYKOD-OAHLLOKOSA-N 472.413 2.105 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC3CC2(CNC(=O)OC(C)(C)C)C3)n1C 2362488054 RFVWWVQWTZFMJO-UHFFFAOYSA-N 460.384 2.157 30 10 JEEE CCOc1ccc([C@H]2/C(=C(/O)c3cccc([N+](=O)[O-])c3)C(=O)C(=O)N2CCOCCO)cc1 103129727 BNBQXUAONRDKEX-LCPUNJGISA-N 456.451 2.424 30 10 JEEE N#Cc1ccccc1OC[C@H](O)Cn1cnc(I)c1I 402364132 YJHKHFUAJILNNX-SNVBAGLBSA-N 495.058 2.404 30 10 JEEE C=CCSC1=NC(=O)C2=c3cc(Br)ccc3=N[C@@H](c3ccccc3[N+](=O)[O-])N2N1 588226639 GEIIXVDIWOZUBY-QGZVFWFLSA-N 472.324 2.420 30 10 JEEE CCNS(=O)(=O)c1ccc(NC(=O)CSc2n[nH]c(NN=C(C)c3ccccc3O)n2)cc1 1084229137 UVMZHOSCQQAREZ-UHFFFAOYSA-N 489.583 2.375 30 10 JEEE CCC(C)=NNc1nc(SCCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)n[nH]1 1084308545 NQQSYCUMMXKDFM-UHFFFAOYSA-N 481.604 2.144 30 10 JEEE COc1ccc(S(=O)(=O)C[C@H](C)C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cc1 1126947716 AMNXTPQWBKDVAW-HOTGVXAUSA-N 451.545 2.076 30 10 JEEE CN1CCN(CC2(C)CCN(C(=O)[C@H]3CC(=O)N(c4ccc(C#N)c(Cl)c4)C3)CC2)CC1 1138118399 FRYBFDXJGXXPQP-IBGZPJMESA-N 458.006 2.441 30 10 JEEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(c2cccnn2)CC1 1286314185 AKYUIMFLCHHRNQ-UHFFFAOYSA-N 494.625 2.116 30 10 JEEE C#CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1286340250 WFARFEYVRAENJC-XMMPIXPASA-N 466.542 2.190 30 10 JEEE C#CCCCn1c(N(C)CCN2C(=O)c3ccccc3C2=O)nnc1[C@@]1(OC(C)C)CCOC1 1286359729 IGTZSOVTYOJFBA-RUZDIDTESA-N 465.554 2.465 30 10 JEEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc([C@@H](F)C(F)(F)F)cc1 1286375984 BRKALALYIMXMGR-IAGOWNOFSA-N 489.495 2.302 30 10 JEEE C#CCN(c1nnc(C(C)C)n1Cc1cccnc1OCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1286385595 OHJPPWWMJAWYNQ-MRXNPFEDSA-N 471.505 2.413 30 10 JEEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CC(C)(C)CC)[C@@H]1CCS(=O)(=O)C1 1286385639 YAZCQOZRECURQD-XMSQKQJNSA-N 452.621 2.382 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1286391833 DZJGJLZSGXCWPO-QGZVFWFLSA-N 464.538 2.200 30 10 JEEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1CC1(O)CCCC1)[C@@H]1CCS(=O)(=O)C1 1286392774 BZNSSKNPGDSIER-GOSISDBHSA-N 479.002 2.442 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1286393652 LWBXZNDOVOIDAB-FPOVZHCZSA-N 458.584 2.398 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCSCc1ccccc1F)[C@H]1CCS(=O)(=O)C1 1286394149 NOMLETHPDGVYDT-MJGOQNOKSA-N 478.615 2.481 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3CC)n2C[C@@H](C)CN2CCOCC2)CC1 1286484470 OTOSDXXFWUITHT-QFIPXVFZSA-N 466.630 2.143 30 10 JEEE C=C(Br)Cn1c(Cc2ccncc2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1286544164 FJYSQEIDRDVRAJ-UHFFFAOYSA-N 469.409 2.081 30 10 JEEE C=C(C)Cn1c(N2C[C@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1286598311 FPIVDUFBUQWJIT-NIRIFSCTSA-N 474.650 2.274 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCCO[C@H]2C(C)C)CC1 1286645776 IEZRUCFWWCKNKR-AABGKKOBSA-N 467.636 2.219 30 10 JEEE C=C1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC(=O)N2CCOCC2)CC1 1286645911 JACLONGMJKMZNB-UHFFFAOYSA-N 474.606 2.408 30 10 JEEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H]2CCCC[C@H]2C1 1286710637 BFYBQIGSHLSWBC-UFYCRDLUSA-N 467.636 2.220 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(O)CC(OCC)C1 1286745993 MCCZZRUQWMEKAH-UDTLNKQYSA-N 460.600 2.303 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@](C)(C#N)C1 1286817886 ZDHKALZKBLFZKB-JOCHJYFZSA-N 457.556 2.447 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 1286818858 QMMJNJLBYRJVDC-KRWDZBQOSA-N 462.620 2.253 30 10 JEEE C[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(NC(=O)C2CC2)CC1)N(C)C 1288672822 DSWVPZLWXNMRKA-QGZVFWFLSA-N 451.575 2.174 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCCOC2)c1 1300332190 ZPCSTMHLPSVASD-LJQANCHMSA-N 473.537 2.408 30 10 JEEE C#CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CC1(N2CCOCC2)CC(OCC)C1 1300438474 MMPQOKLCDOBUSI-UHFFFAOYSA-N 477.407 2.375 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1300496906 WHRYEQHOEBDSDS-QRVBRYPASA-N 495.646 2.054 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(C)o2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1300656410 GWUKVMHDFPQFJM-RBUKOAKNSA-N 461.588 2.137 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCOCC(F)F)CC1 1300710821 MMHMJXZSMFPNOS-CALCHBBNSA-N 468.549 2.086 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2Cc2cccc(CN3CCOCC3)c2)CC1 1300711841 IVLWHZYJMZIMMD-UHFFFAOYSA-N 478.641 2.422 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Cl)cc2)n1CC1(O)CCS(=O)(=O)CC1 1300815683 ARJYECRXZCMYRO-OAQYLSRUSA-N 479.002 2.442 30 10 JEEE C=C(Br)Cn1c(N2CCC[C@@H](OCCOC)C2)nnc1[C@@]1(OCC)CCOC1 1300862687 CFFPRLLTDKZOJL-VQIMIIECSA-N 459.385 2.471 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1301514258 HSBYFXKSNJSFGZ-UHFFFAOYSA-N 498.481 2.193 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 1301520899 SNJDPSAZSDXTNZ-ICSRJNTNSA-N 492.621 2.045 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N(C)[C@@H]1CCCN(c2ccccc2)C1 1301578853 JMUQRSFXCPKZRK-HXUWFJFHSA-N 467.599 2.441 30 10 JEEE CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C(C)C)N2CCCC2)CCO1 1301902334 HHZDSBYROXVBBO-DHIUTWEWSA-N 465.602 2.278 30 10 JEEE C=CCN1CC[C@H](N(C)C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2OC)C1=O 1310106391 RZOJXFLSGLAJTD-SFHVURJKSA-N 450.561 2.120 30 10 JEEE CCOC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCO[C@@H]2C)C1 1314030490 DCAQPPPDFKNMCC-ZDWFVDTJSA-N 454.531 2.072 30 10 JEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1nc(C(F)(F)F)cs1 1358919776 KCNYXJLHBJYZGL-NSHDSACASA-N 450.512 2.413 30 10 JEEE C#CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1358929045 QXHDGUHVEVPZSE-GUDVDZBRSA-N 475.590 2.166 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1CCOC(C)C)[C@@H]1CCS(=O)(=O)C1 1358958510 PSARCWUFNLWKNR-GOSISDBHSA-N 462.572 2.014 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@](C)(O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1358963009 AGSLUQVACJLQGC-ZHRRBRCNSA-N 466.554 2.181 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCNC(=O)c1occc1C 1358988931 IMVMYWACGCRWMJ-UHFFFAOYSA-N 483.536 2.105 30 10 JEEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)CCc2ccc(OC)cc2)CC1 1359055265 YHFQIAWUHMTBDP-UHFFFAOYSA-N 493.637 2.335 30 10 JEEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1359057912 MHAAHYXXTMCCFC-HNNXBMFYSA-N 486.552 2.045 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 1359097876 VBEDNQCCZKVEMD-QFUCXCTJSA-N 473.599 2.250 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)CC[C@@H]1C 1359098641 DGFBEKSBWWRQEW-RMMWZPCPSA-N 467.636 2.217 30 10 JEEE C=CCCOCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(C)=O)C[C@@H]1C 1359228208 WVSRPBPKQBWMDV-AZUAARDMSA-N 492.621 2.236 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCOC1 1359259369 UMFNVPHRVBAVQM-NHCUHLMSSA-N 475.615 2.230 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccoc1 1359275369 SDOJMPZMVKURCR-NRFANRHFSA-N 471.583 2.487 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1C[C@H](C(=O)NCCCC)CC[C@H]1C 1359298799 MLLXMDDVEWHIFD-RTBURBONSA-N 453.591 2.472 30 10 JEEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CCNC(=O)c1cccs1 1360618361 CEYZJOADFMHXMZ-OAHLLOKOSA-N 472.596 2.178 30 10 JEEE C=CC1(CC(=O)NCC(=O)N2CCN(Cc3ccccc3)CC2)CN(C(=O)OC(C)(C)C)C1 1443005626 HQXUEJFGMPUTFT-UHFFFAOYSA-N 456.587 2.260 30 10 JEEE C#C[C@@H](NS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(Cl)cc1 1463830635 FIKMSMZSFWHQDT-LJQANCHMSA-N 454.957 2.014 30 10 JEEE C=CCOc1ccc(Br)cc1NC(=O)N1CCCN(C(=O)CNC(C)=O)CC1 1466816136 GFJGVYAXNSFUEW-UHFFFAOYSA-N 453.337 2.216 30 10 JEEE COCCN(CCC#N)c1nnc(-c2ccccc2Cl)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1504884887 FHGWTDRICIITAR-MRXNPFEDSA-N 466.995 2.246 30 10 JEEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1507578905 FVYOUTCNBOOHAW-QGZVFWFLSA-N 490.450 2.496 30 10 JEEE C#CCN(c1nnc(-c2ccc3ccccc3n2)n1CC(C)(C)C(=O)NCC)[C@@H]1CCS(=O)(=O)C1 1507629079 JKXMVWBENFUKOC-LJQANCHMSA-N 494.621 2.282 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@@H]1CCOC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1507640802 WHGJFLUAFBPTAV-HKBOAZHASA-N 472.611 2.465 30 10 JEEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCO[C@H]1c1ccccc1 1507641570 AYSCBIKXMQUNBU-JBACZVJFSA-N 455.584 2.129 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@](C)(O)c2cc(C)oc2C)CC1 1507721110 YOWNTESWCHVIAF-JWQCQUIFSA-N 471.602 2.191 30 10 JEEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@H](C)CN2CCOCC2)CC1 1507726315 IDSWTZPHQPUSGT-QHCPKHFHSA-N 466.630 2.197 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)CCc2ccc(OC)cc2)CC1 1508089077 ILBQJBMCTQHGMM-QFIPXVFZSA-N 496.612 2.112 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccn1 1508104608 LYRYFVLYCMEVOB-QFIPXVFZSA-N 498.609 2.256 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(Cl)s2)C1 1508129053 ZTQPPBDYCVGDHM-ZBFHGGJFSA-N 488.035 2.156 30 10 JEEE C=CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@](C)(C(N)=O)C1 1508154942 GGKGFKHLQMZLCK-QHCPKHFHSA-N 467.599 2.296 30 10 JEEE CC(C)(C)Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1Cc1cccc(OCC(N)=O)c1 1508583115 BVNOMYUOYHXUTO-UHFFFAOYSA-N 488.596 2.372 30 10 JEEE COc1ccc(CCn2c(C)nnc2N2CCN(c3c(C#N)c(C)nn3C)CC2)c(OC)c1 1518220680 AQJHZFNSXZSPTQ-UHFFFAOYSA-N 450.547 2.087 30 10 JEEE CC(=O)c1cc(Br)ccc1OCC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 1519177436 CZYYLTOIRGHQDC-CYBMUJFWSA-N 458.316 2.429 30 10 JEEE C#CCN(c1nnc(COCC)n1Cc1ccc(OC(F)F)c(F)c1)[C@H]1CCS(=O)(=O)C1 1539230999 NITKLIFPWJFSDK-HNNXBMFYSA-N 472.489 2.230 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(COc3ccccc3)o2)n1CCN1CCCS1(=O)=O 1539249711 AABMVMGHOWCJMP-UHFFFAOYSA-N 479.562 2.225 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cc(F)ccc1N1CCOCC1 1539298746 AFPFAYKXJHYVAO-AREMUKBSSA-N 481.572 2.417 30 10 JEEE C=C(Br)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1539599527 GYSGOCWHGINMMZ-CPUCHLNUSA-N 479.331 2.059 30 10 JEEE C=CCCOCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1540043158 XKWYBOGCMRGHCA-TZIWHRDSSA-N 471.606 2.376 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCS1 1540188061 ZVRXFQAXCCILAS-RTBURBONSA-N 481.644 2.335 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(COc3ccccc3OC)n2C[C@@H]2CCS(=O)(=O)C2)C1 1540896408 LCMRFEKAVQHHLU-ROUUACIJSA-N 462.572 2.082 30 10 JEEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 1540907675 DXZFAORAWNTPDO-UHFFFAOYSA-N 468.627 2.457 30 10 JEEE CC(C)N1CCC[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)C1 1541620637 GLNMVLPVEZGQLF-PZJWPPBQSA-N 485.658 2.407 30 10 JEEE CNC(=O)[C@@H]1CN(C(=O)c2cnccn2)CC12CCN(c1ccc(C#N)c(C(F)(F)F)c1)CC2 1548375211 CYESTCQRCSWSPP-SFHVURJKSA-N 472.471 2.472 30 10 JEEE CO[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1554607301 FSLAEVWGLFIWHK-IBGZPJMESA-N 462.558 2.497 30 10 JEEE COc1cc(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)C[C@@H](C)C#N)ccc1Cl 1554748313 FHVUMQKQONRKJQ-UONOGXRCSA-N 454.984 2.389 30 10 JEEE N#Cc1ccc(N2CCN(CC(=O)N3CCC(NC(=O)CCc4ccccc4)CC3)CC2)cc1 1560077125 AQHUNUXZGBUGES-UHFFFAOYSA-N 459.594 2.420 30 10 JEEE C#CCN(c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H](OC)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1588051156 ZWIQYNAMJVUFIL-QFBILLFUSA-N 498.609 2.282 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCC(F)(F)C2)n1 1588724380 XTFOIQYWCANJJS-ROUUACIJSA-N 496.584 2.098 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)ccc3C)n2CCC(=O)NC(C)C)CC1 1588962109 URNOSVUQCPFUHP-UHFFFAOYSA-N 480.613 2.354 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(COC)CCCCC1 1589216725 WAECAYOMUQNFOY-DENIHFKCSA-N 479.647 2.200 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C2CCOCC2)C1 1589493486 HOSSESSIYMHOEU-AFYVEPGGSA-N 467.636 2.122 30 10 JEEE C=C(C)COCCn1c(COc2cccc(C)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1593764061 WHSHPPURAROQPK-HXUWFJFHSA-N 468.558 2.231 30 10 JEEE C=C1CCN(c2nnc(CN3CCCC3=O)n2CCNc2nccc(C(F)(F)F)n2)CC1 1594122367 OPTSNCCMLDLFNP-UHFFFAOYSA-N 450.469 2.478 30 10 JEEE C=CCCOCCn1c(-c2ccc(OC)cc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1594798414 RBPHLGVELWJRFF-UHFFFAOYSA-N 454.531 2.067 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H]1[C@H]1CCCO1 1595823674 QAIZJZVINMYMCK-NHCUHLMSSA-N 471.583 2.477 30 10 JEEE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3cccc(C#N)c3)n2CCCO[C@H]2CCOC2)C1 1595976525 FSGRYGHNIQTXIJ-UNMCSNQZSA-N 452.559 2.317 30 10 JEEE CC(=O)N1CCC[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@](F)(C#N)C2)C1 1596083678 AECAUDIOULZOPQ-XXBNENTESA-N 451.506 2.429 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CC1([S@](C)=O)CCC1 1608517698 FTUIEHBITDSIJK-UMSFTDKQSA-N 483.642 2.306 30 10 JEEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2C[C@H](C)O[C@H](C)C2)CC1=O 1619938556 AMPRPSPJGKAOCZ-OPVJXMOQSA-N 452.559 2.315 30 10 JEEE CS(=O)(=O)NC[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCS2)C1 1620173278 CSKPXPPQRFPSSJ-AZUAARDMSA-N 490.655 2.390 30 10 JEEE C=CCn1c(S[C@H](C)C(=O)N(C)[C@H]2CCS(=O)(=O)C2)nnc1-c1cccc(OC)c1 1640969982 CTJGARJGROHYNB-ZBFHGGJFSA-N 450.586 2.266 30 10 JEEE C=C(Cl)C[C@H](NS(=O)(=O)c1cc(C(N)=O)c(Br)cc1F)C(=O)OCC 1656399906 HNAPESPZJWQXFM-NSHDSACASA-N 457.705 2.040 30 10 JEEE C=CCn1cc(CNC(=O)NCc2ccccc2CN2C(=O)NC3(CCCCC3)C2=O)nn1 1678847301 DVEIQWJVEDFEAF-UHFFFAOYSA-N 451.531 2.218 30 10 JEEE C#CCCCCn1c(N2CCC(NC(=O)c3cc(C)on3)CC2)nnc1[C@]1(OCC)CCOC1 1689906643 QDKRPTCXGVDMIJ-DEOSSOPVSA-N 470.574 2.429 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(F)cc2Br)n1Cc1ccc(C(N)=O)nc1 1690097330 DXHQNOPAEHZOMB-UHFFFAOYSA-N 487.333 2.475 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2CCO[C@@H]2C(=C)C)CC1 1690114730 FOLLJGRURDBQNF-RBBKRZOGSA-N 469.611 2.085 30 10 JEEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 1690183105 MDYHHHKTCKWAGX-SFHVURJKSA-N 487.655 2.351 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccc2OC)nnc1N1CCN(C(=O)COC)CC1 1690244305 VZBBPGJTWFBHJH-XMSQKQJNSA-N 455.559 2.230 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc(COCC)n1CC1(O)CCS(=O)(=O)CC1 1690572154 VEKOQMKXTJZFGB-UHFFFAOYSA-N 452.552 2.086 30 10 JEEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCN(C(=O)COc2ccc(F)cc2)CC1 1690669875 RADATWYBOIUPRI-UHFFFAOYSA-N 470.549 2.105 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(c2ccc(F)c(OC)c2)CC1 1690672953 IZQSCJHOGLTWLT-UHFFFAOYSA-N 465.533 2.040 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC(CN2CCCCCC2)CC1 1690722746 UNWJSIJIJBAHKQ-UHFFFAOYSA-N 475.663 2.372 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC[C@H](CNC(=O)c2ccccc2)C1 1690724272 LIFKEPXOYLFWDJ-CTNGQTDRSA-N 487.626 2.029 30 10 JEEE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3cccc(C#N)c3)n2CCCCN2CCOCC2)C1 1690786229 HXXYMWAORLJFIK-QFIPXVFZSA-N 465.602 2.234 30 10 JEEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCN2S(C)(=O)=O)C[C@@H](C)S1 1693830565 FTGXLWWTWGROAB-ZIFCJYIRSA-N 490.655 2.483 30 10 JEEE CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCn2cc(Cl)cn2)CC1 1694223822 CWJLNNMKPJFRIN-GOSISDBHSA-N 496.019 2.404 30 10 JEEE COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCN(C(C)C)CC2)C[C@H](C)O1 1697910415 GPBFEGKYCQBDBL-NZQKXSOJSA-N 498.628 2.204 30 10 JEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1nnc2n1CCCCC2 1705551111 GWPAYJSBMCSMEI-QGZVFWFLSA-N 470.578 2.022 30 10 JEEE C#CCN(c1nnc(COc2ccccc2OC)n1Cc1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1705568492 ONYMLWGPWJKNLY-SFHVURJKSA-N 485.566 2.146 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(F)cc2Br)n1CCS(C)(=O)=O 1705593556 SNWPIDSZGGVLKO-UHFFFAOYSA-N 453.337 2.354 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC2(C(N)=O)CCCC2)CC1 1705638981 CXKUOPAAHMCSSG-FQEVSTJZSA-N 499.660 2.194 30 10 JEEE C#CCSCCn1c(-c2cc(Br)cn2C)nnc1N(C)[C@H](C)CS(C)(=O)=O 1705655883 QPUYIZIKZGSGFR-CYBMUJFWSA-N 474.450 2.282 30 10 JEEE C=C(C)COCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1705732933 GMYXVLHLXANQFK-UHFFFAOYSA-N 479.589 2.208 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1705792700 YOEWSFDZEBGVTG-VAMGGRTRSA-N 465.664 2.330 30 10 JEEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(N2CCCCC2=O)CC1 1705800027 MLRVZJDPLGHAPN-QGZVFWFLSA-N 452.625 2.226 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(S(C)(=O)=O)CCCC1 1705879862 NMKQUGGXPCCLBS-GOSISDBHSA-N 496.655 2.366 30 10 JEEE C=CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1705889428 SUERFSZPCFNKIY-FQEVSTJZSA-N 456.572 2.347 30 10 JEEE C=CCNC(=O)Cn1c(N2CCN(c3cc(F)cc(F)c3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1705908633 GCLQHMOYSVBMND-DEOSSOPVSA-N 490.555 2.226 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CC[C@H](C(=O)N(C)c2ccccc2)C1 1705934994 DBSRAZPTJRVIJR-FQEVSTJZSA-N 494.621 2.354 30 10 JEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCC(=O)N(CC)CC 1722343167 DEGKNHUWNMCHPP-UHFFFAOYSA-N 459.620 2.265 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCOC(C)(C)C 1722389651 KBZSCZSXUTUAKU-UHFFFAOYSA-N 457.600 2.473 30 10 JEEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1722454976 QRUSITYTAQNJIV-KRWDZBQOSA-N 464.613 2.342 30 10 JEEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1cccs1)C1CC1 1722461406 OFWFJDJLFSXPLS-SFHVURJKSA-N 481.669 2.208 30 10 JEEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1722524160 QPMLXDWLQPOUSR-RTWAWAEBSA-N 489.665 2.379 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1722692752 VJGOLGQHBFBMNU-IBGZPJMESA-N 483.573 2.164 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 1722696722 DHLIPJQJQHRHPD-UHFFFAOYSA-N 462.514 2.186 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1722696919 USPXRPZCLFFXBE-QGZVFWFLSA-N 455.950 2.311 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cn2ccc3ccccc32)nnc1N1CCC(N(C)C(C)=O)CC1 1722730116 JEDHSSBZXVPKKU-UHFFFAOYSA-N 484.626 2.329 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1722751166 QKZNIZSPYUMHNM-QFIPXVFZSA-N 478.640 2.123 30 10 JEEE COc1cc(Cn2c(Cc3ccncc3)nnc2N2CCO[C@@H](C#N)C2)cc(OC)c1OC 1729989411 GAYDUVACAQOJLR-SFHVURJKSA-N 450.499 2.067 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCN(C)C2CCCC2)CC1 1740689914 KLZOCAWNXDKOIC-UHFFFAOYSA-N 484.048 2.491 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCCN2CCN(CC)CC2)CC1 1740699536 KVCZBCILOPWSDK-UHFFFAOYSA-N 479.673 2.257 30 10 JEEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1740795127 OMXGAJWYIWCECW-ZWKOTPCHSA-N 451.568 2.105 30 10 JEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccc(NC(=O)[C@@H]3CCCO3)c2)CC1 1740818634 PNWAZNJBFNJXRF-PXNSSMCTSA-N 488.614 2.211 30 10 JEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](c2cccs2)N2CCOCC2)CC1 1740832692 GLPWBSXPSPWTKU-MJGOQNOKSA-N 494.687 2.426 30 10 JEEE C=CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1740871162 SDEJGYXOURYISM-MRXNPFEDSA-N 466.633 2.136 30 10 JEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCN(C(=O)C(C)C)CC1 1740950484 RNTUFEBIJDVGSV-SFHVURJKSA-N 462.595 2.467 30 10 JEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@H]1c1ccccc1OC 1740995060 YOMZTZLDFWGLPY-IBGZPJMESA-N 473.599 2.351 30 10 JEEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(=O)c2ccsc2)CC1 1740997163 WIYVKSLXSPUHSH-MRXNPFEDSA-N 498.700 2.222 30 10 JEEE CCCC(=O)NC[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCS(=O)(=O)C2)C1 1745151089 BVDJPEWUFGZLES-VQTJNVASSA-N 484.626 2.384 30 10 JEEE CCCN1CC[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(N(C)S(C)(=O)=O)CC2)C1 1745683124 GMOBCRLAOPKUMY-HXUWFJFHSA-N 485.658 2.409 30 10 JEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CCO)Cc1ccc(F)c(Br)c1 1748751414 HDWRMIFCWITIRP-MRXNPFEDSA-N 499.406 2.494 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCc1ccc(F)cc1Cl)[C@@H]1CCS(=O)(=O)C1 1748802722 RTZDRZBNKHDKLH-QGZVFWFLSA-N 481.981 2.078 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H](c1ccccc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1748811016 AAKKVERSBVGQMC-IRLDBZIGSA-N 464.595 2.270 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1ccc(OC)c(F)c1)[C@H]1CCS(=O)(=O)C1 1748816061 WLNOYCIZVXIQTD-FXAWDEMLSA-N 462.547 2.342 30 10 JEEE C#CCSCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1749023783 WOHPGOAJGXLPKV-AEFFLSMTSA-N 486.573 2.396 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)OCCOC)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1749055099 DZPPBESEKRLTHS-XFGYDDDFSA-N 479.647 2.198 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](OCCOC)C1 1749117925 AKJDTDDSZTWNFA-BJLQDIEVSA-N 456.547 2.148 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CN(C)C(C)C)CC1 1749118362 FVHIXZWVKMYDJD-TYPHKJRUSA-N 482.695 2.426 30 10 JEEE C=C(C)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1749189988 YKLVXKRLIMHDES-IBGZPJMESA-N 487.649 2.369 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCN2C(=O)OC[C@@H]2C1)C(C)C 1749557929 OKVKXQCSQBLCAE-PMACEKPBSA-N 454.579 2.018 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@H]2OCCC[C@H]2C1 1749650018 HDZFAELXBPQFMC-AZUAARDMSA-N 452.559 2.455 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cn3nc(C)cc3C)n2C[C@@]2(OC)CCOC2)c1 1760127874 PLQMKEHJFHKUON-VWLOTQADSA-N 477.569 2.001 30 10 JEEE C#CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1760135537 ZBDVMTPWPUZZCD-SFHVURJKSA-N 482.610 2.399 30 10 JEEE C#CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(S(C)(=O)=O)CC1 1760138946 NCUGRNDAFPFYMB-LJQANCHMSA-N 495.646 2.403 30 10 JEEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1cc2c(cc1OC(F)F)OCO2 1760165215 MFZAXVIVSIPEAJ-NRFANRHFSA-N 450.442 2.378 30 10 JEEE C#CCN(c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@]1(C)CN(C)C1=O)[C@H]1CCS(=O)(=O)C1 1760184935 ZLBWPACUHUZPMT-CPJSRVTESA-N 483.638 2.348 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1CC[S@](=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1760190661 TYPVHZWOKOLSPH-WHUARKNTSA-N 492.667 2.051 30 10 JEEE C#CCN(CC#C)c1nnc(CCOc2ccccc2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1760206566 DTFLHWWDOWAZAT-JTHBVZDNSA-N 481.622 2.177 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1C[C@@H]1C[C@H](F)CN1Cc1cccs1 1760248060 ZHZSCMYRGYQAFV-OALUTQOASA-N 457.579 2.439 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](OC)c1ccc(Cl)cc1 1760249467 MHNIFJQQTOVMGL-MJGOQNOKSA-N 466.991 2.307 30 10 JEEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1760278134 ZBDHLHQHRUZKLK-QFIPXVFZSA-N 476.624 2.344 30 10 JEEE C=CCN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCNS(=O)(=O)CC)C1CC1 1760475931 ZXBFUMXAELHIQW-KRWDZBQOSA-N 468.624 2.444 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1760525020 QSYWLFNUPFXMLF-QGZVFWFLSA-N 456.978 2.320 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H](C)CC[C@@H]1C 1760550535 ATACEBRSPYWIIZ-MSOLQXFVSA-N 495.671 2.421 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@@H](C)C1 1760553755 HUCKMDJGMBGPAQ-MRXNPFEDSA-N 466.633 2.075 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1760558141 HGVSGDWAXLJMAH-BRSBDYLESA-N 490.692 2.055 30 10 JEEE CC(C)[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)C1)N1CCCC1 1760879616 BUHPDGKMHPSJDO-NRFANRHFSA-N 451.575 2.128 30 10 JEEE CCC(CC)[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2cc(C#N)ccn2)CC1)N(C)C 1764048242 IEDKAWBVEBRRAA-NRFANRHFSA-N 481.649 2.376 30 10 JEEE CCOC(=O)N(C)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC2CC2)CC1 1765687262 BCMZSTBYDUBNCZ-UHFFFAOYSA-N 465.558 2.400 30 10 JEEE CCO[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CC#N)c1ccccc1 1767375245 BUSOYCWGNZDMDV-RLLQIKCJSA-N 476.603 2.127 30 10 JEEE CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@H]1N(C)CCCC1(C)C 1767930755 GMPCPXVKCCQSRV-HXUWFJFHSA-N 469.638 2.175 30 10 JEEE COc1ncccc1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C#N)C1 1770558365 DNEYDFOMDYIHKX-SFHVURJKSA-N 467.917 2.042 30 10 JEEE O=C(C1=C(O)C(=O)N(CCCO)[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccc2c(c1)OCO2 1862635137 CGDGHNZJPWRYJJ-HXUWFJFHSA-N 484.417 2.055 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)COc2cn(C[C@@H](C)O)c(CN(CC)CC)cc2=O)nc1C 1870322869 BICACQCLJNMORJ-OAHLLOKOSA-N 492.598 2.196 30 10 JEEE C=CCn1cc(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c(=O)cc1CN1CCC(CO)CC1 1870397911 YSXWYAKGRQUQDN-UHFFFAOYSA-N 456.499 2.164 30 10 JEEE C=CCn1cc(OCC(=O)Nc2ccc(C(=O)OCC)cc2)c(=O)cc1CN1CCOCC1 1870705478 HPMDGEJPLYPGQP-UHFFFAOYSA-N 455.511 2.061 30 10 JEEE C=CCn1cc(OCC(=O)OCC(C)C)c(=O)cc1CNc1ccc2c(c1)C(=O)N(C)C2=O 1870847149 BZDMBNFPCWUDHU-UHFFFAOYSA-N 453.495 2.450 30 10 JEEE N#Cc1ccnc(O[C@@H]2CCN(C(=O)[C@H]3CCCN3S(=O)(=O)c3cccc(Cl)c3)C2)c1 1890194245 KWNHWTBDLUFRHT-IEBWSBKVSA-N 460.943 2.440 30 10 JEEE C#CCNC(=O)[C@H](C)[S@@](=O)CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 2019037171 HSADZLIKSYQFOS-KEAXUABBSA-N 482.558 2.255 30 10 JEEE CC(C)(C)OC(=O)N1Cc2[nH]cnc2C[C@@H]1C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 2124625750 JYLNQUKXZDLPRB-WIYYLYMNSA-N 450.543 2.308 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1CCN1S(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2255753127 PHAFIESKWNMROL-MRXNPFEDSA-N 452.382 2.274 30 10 JEEE C[C@H]1CN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)CC[C@H]1NC(=O)C(F)(F)F 2267723153 OSJBQYBNKSFYSM-WCQYABFASA-N 482.355 2.125 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)Nc1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2268636524 DVEBXYBLHIXXAC-YOEHRIQHSA-N 450.316 2.434 30 10 JEEE CC(C)(C)OC(=O)N[C@H](C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)s1)C1(O)CCC1 2268721486 LWIMKMXLNYZFRJ-MRXNPFEDSA-N 466.409 2.472 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](NC(=O)c2cccc(F)c2B2OC(C)(C)C(C)(C)O2)C1 2281772397 JGGAYQPMSGYVAV-SJORKVTESA-N 464.343 2.225 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@H]1CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1F 2281786722 HHBVKFXTNJHGDH-MRXNPFEDSA-N 464.343 2.491 30 10 JEEE CC(C)(C)OC(=O)NC[C@@]12CN(C(=O)c3coc(B4OC(C)(C)C(C)(C)O4)c3)C[C@@H]1CCO2 2281817550 NRJGJKHFLWVYGY-QMHKHESXSA-N 462.352 2.335 30 10 JEEE Cc1c(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H](C)[C@H]2C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281984686 DSHWYTQJBAVOAI-HUUCEWRRSA-N 462.400 2.498 30 10 JEEE CC(C)[C@@H]1[C@H](NC(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)CCN1C(=O)OC(C)(C)C 2282040990 QMBBIMNGPWDFDR-NVXWUHKLSA-N 462.400 2.483 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1[C@@H]2CCCCN(C(=O)OC(C)(C)C)[C@H]21 2282042398 GSVPCWHXGLYZDR-USXIJHARSA-N 460.384 2.237 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@]2(C[C@H](NC(=O)c3ccoc3B3OC(C)(C)C(C)(C)O3)CO2)C1 2282054913 WXPGQQDFJFBBHY-WNSKOXEYSA-N 462.352 2.477 30 10 JEEE C[C@H]1CC[C@@H](NC(=O)C(F)(F)F)CN1S(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2282339311 UDSLXKOTKPUQDW-UONOGXRCSA-N 476.326 2.206 30 10 JEEE C[C@H]1CCN(S(=O)(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1NC(=O)C(F)(F)F 2282348915 RAIPIUNXSMFLRS-ZFWWWQNUSA-N 476.326 2.063 30 10 JEEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)[C@H]2CC[C@@H]21 2282497138 MBZARGOVRXVRPS-HOTGVXAUSA-N 499.464 2.356 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1[C@H]2CC[C@H]1CC(NC(=O)OC(C)(C)C)C2 2282532957 FLGQBCDGCOSMAZ-HOTGVXAUSA-N 460.384 2.380 30 10 JEEE C[C@H]1CC[C@@H](NC(=O)C(F)(F)F)CN1C(=O)c1nn(C)c(Cl)c1B1OC(C)(C)C(C)(C)O1 2282547285 ZHXAKUNALWBGRK-WDEREUQCSA-N 478.708 2.044 30 10 JEEE CC(C)(C)OC(=O)N1CC2(CCN(S(=O)(=O)c3cncc(B4OC(C)(C)C(C)(C)O4)c3)C2)C1 2282845259 PRUGQHPKIXZPGX-UHFFFAOYSA-N 479.408 2.012 30 10 JEEE CO[C@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2O)C[C@@H]1NC(=O)OC(C)(C)C 2282986351 PEVREADSDNWALK-WMZOPIPTSA-N 462.352 2.056 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H]([S@](C)(=O)=NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2283063028 QHYGOVICMDTSEM-GSLRCMBYSA-N 480.396 2.023 30 10 JEEE CC(C)(C)OC(=O)N1Cc2nncn2C[C@H]1C(=O)N[C@@H]1CCC=C1B1OC(C)(C)C(C)(C)O1 2284057213 VUJTUOIGWCAIEV-CVEARBPZSA-N 459.356 2.234 30 10 JEEE C[C@H](C(=O)N[C@@H]1CCC=C1B1OC(C)(C)C(C)(C)O1)N1CCN(C(=O)OC(C)(C)C)CC1=O 2284069540 SXQSLHIYOZNWIM-NVXWUHKLSA-N 463.384 2.291 30 10 JEEE CC(C)(C)OC(=O)N1CCOC(C)(C)[C@@H]1C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2284135358 OTPLJUKUOHLIIH-HNNXBMFYSA-N 481.424 2.473 30 10 JEEE CC(=O)NCc1nnc(SCC(=O)Nc2ccccc2C)n1N=Cc1ccc(O)c([N+](=O)[O-])c1 2330738623 NKAOZVSEXAWZIM-UHFFFAOYSA-N 483.510 2.449 30 10 JEEE COc1ccc(NC(=O)[C@@H]2COC[C@@H]2NC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2365287841 FQJRJZHLYHWKSF-WBVHZDCISA-N 462.352 2.473 30 10 JEEE CC(C)N(CCNC(=O)c1ccc(/N=C2/N[C@@H]3CS(=O)(=O)C[C@@H]3S2)cc1)Cc1ccco1 15941321 XVUGZZSXYHKCCZ-UXHICEINSA-N 476.624 2.410 30 10 JEEE COCCNC(=O)c1ccc2c(=O)n(-c3cc(OC)cc(OC)c3)c(SCC#N)nc2c1 33077838 CVTQEQFYPHUTSI-UHFFFAOYSA-N 454.508 2.395 30 10 JEEE CCOC(=O)[C@@H]1CCCN(c2nc(O)c3c(n2)NC(=O)[C@H](C#N)[C@H]3c2ccc(O)c(OCC)c2)C1 256034271 ZGZBWFKUTLZENU-IIDMSEBBSA-N 481.509 2.290 30 10 JEEE C=CCN(C(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1)c1nc(C(=O)OCC)cs1 409819281 ZAKIDGLSQQMLMZ-UHFFFAOYSA-N 464.569 2.335 30 10 JEEE N#Cc1ccccc1S(=O)(=O)N1CCN([C@@H]2CC(=O)N(c3cccc4ccccc34)C2=O)CC1 610548803 HLOHPIUNLXNOGQ-JOCHJYFZSA-N 474.542 2.350 30 10 JEEE CNC(=O)C[C@H]1SC(=Nc2ccc(C(N)=O)cc2)N(Cc2ccccc2-n2cccn2)C1=O 726401646 QWVYPLJWJXMRSZ-LJQANCHMSA-N 462.535 2.239 30 10 JEEE C#CCN(C(=O)c1cccc(S(=O)(=O)Oc2ccccc2OCC)c1)[C@H]1CCS(=O)(=O)C1 729330730 IFQFJAMEZJKJTL-SFHVURJKSA-N 477.560 2.116 30 10 JEEE C#CCOc1ccc(CNS(=O)(=O)c2cc(S(C)(=O)=O)ccc2Br)cc1 1190447020 QRWRJIDJIVXWPL-UHFFFAOYSA-N 458.355 2.343 30 10 JEEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccsc1)[C@@H]1CCS(=O)(=O)C1 1286383687 NBILPDFKNMJVQQ-WIYYLYMNSA-N 464.613 2.055 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1CC1(CCOC)CC1)[C@H]1CCS(=O)(=O)C1 1286392416 LZUDSPLDZLCDTN-SFHVURJKSA-N 463.629 2.077 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CCC(F)(F)C1)[C@@H]1CCS(=O)(=O)C1 1286398983 VQGMERKBSZVRPZ-FJIDUMEYSA-N 472.558 2.064 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCC[C@@H]1NC(=O)NC1=O 1286401089 IUJHVPMDSJABNF-WBVHZDCISA-N 450.568 2.192 30 10 JEEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC[C@@H]1COCCO1 1286414058 RFAFBGWPKZKLNM-HXUWFJFHSA-N 457.575 2.271 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2CCc2cccc(C(=O)N(C)C)c2)CC1 1286480083 KIKKDKWVZGVHFF-QFIPXVFZSA-N 450.587 2.219 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@H]2COCCO2)CC1 1286487611 GXMOIEYDDHMPIX-IBGZPJMESA-N 488.386 2.089 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2CCN2CC=CCC2)CC1 1286492569 MKCGLANFMHZAIU-UHFFFAOYSA-N 466.561 2.224 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2Cc2ccc(NC(C)=O)nc2)CC1 1286492935 BYYRLIJVIBTWII-UHFFFAOYSA-N 485.592 2.431 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2CCCNC(=O)C(C)C)CC1 1286493379 GSQBRUCCHXFERC-UHFFFAOYSA-N 456.616 2.059 30 10 JEEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(C(=O)NCCC)CC1 1286500497 VELMTZLZUBOEKP-UHFFFAOYSA-N 489.667 2.458 30 10 JEEE C#CCSCCn1c(-c2ccccc2OC)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1286504455 PNVIFHYPIDHCQG-FQEVSTJZSA-N 455.584 2.148 30 10 JEEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1286610179 ZJJMTGOGTJIMPC-IBGZPJMESA-N 459.558 2.233 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](OC)C(C)(C)C1 1286815081 KVGHEQSOVAOSFR-HNNXBMFYSA-N 472.409 2.498 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@@](C)(CC)C1 1286822990 QEZXMZMPNIEGDW-QFIPXVFZSA-N 458.588 2.123 30 10 JEEE Cc1cc(CN2CCN(c3nnc(-c4ccc(C#N)cc4)n3CCNC(=O)C(C)C)CC2)on1 1290969360 BRWDINFVUPVMJV-UHFFFAOYSA-N 462.558 2.208 30 10 JEEE CCN(CC)C(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)N(C)C2CC2)CC1 1295335564 BJNDNMLMBZCNQE-FQEVSTJZSA-N 478.645 2.290 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](c1ccccc1Cl)N(C)C 1300270371 BTPOTHXCDCYLQW-RLFYNMQTSA-N 453.012 2.303 30 10 JEEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1300381943 LCMSBCRUEGAGOU-GMAHTHKFSA-N 469.634 2.478 30 10 JEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN([C@H](C)c2cccc(OC)c2)CC1 1300383858 ILFOHIIVSZXPRK-RBUKOAKNSA-N 474.631 2.194 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CCc1sc(C)nc1C)[C@@H]1CCS(=O)(=O)C1 1300479426 OLRGDOFBALDDLE-GOSISDBHSA-N 492.671 2.139 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1CCc1cnc2c(Cl)cnn2c1)[C@H]1CCS(=O)(=O)C1 1300485813 ZBUNIEBNYONEEQ-INIZCTEOSA-N 476.006 2.141 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2Cc2ccc(NC(C)=O)nc2)CC1 1300709705 CCAUEZAMLVNGSX-UHFFFAOYSA-N 475.553 2.023 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2Cc2nncn2CC)CC1 1300715858 GNVDBNODXRTLLO-KRWDZBQOSA-N 480.548 2.183 30 10 JEEE C#CCSCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCNC(=O)[C@@H]1CC 1300743351 NOVPJDCUIQTLQN-INIZCTEOSA-N 459.572 2.052 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC[C@H]1CCCCO1)C1CC1 1301326572 CISRXTOSZKSUMJ-MOPGFXCFSA-N 453.609 2.115 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccoc1 1301339991 VBXYDZAYALMGJP-OAQYLSRUSA-N 482.566 2.317 30 10 JEEE C=CCN(Cc1cccs1)c1nnc(Cc2csc(C)n2)n1C[C@@]1(O)CCS(=O)(=O)C1 1301365794 ZIDMHYFIXKBUMB-FQEVSTJZSA-N 479.653 2.438 30 10 JEEE C=CCN(CCOC)c1nnc(-c2cccnc2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1301420570 FWRIOQWSIJXLSD-WOJBJXKFSA-N 460.604 2.183 30 10 JEEE C=CCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCN(CCOCC)CC1 1301454355 STKMDQDXCPKPJT-UHFFFAOYSA-N 451.575 2.410 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1301492504 JHFZMVURUCLGSD-MJGOQNOKSA-N 482.585 2.006 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@]2(CCC(=O)N2)C1 1301569591 ZSDXSGVIWQEADQ-NTKDMRAZSA-N 487.626 2.495 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1301577625 RFULYVMEBSXTEO-OAQYLSRUSA-N 486.598 2.349 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@@H](c2nnc(N3CC[C@@](F)(C#N)C3)n2CC2(S(C)(=O)=O)CC2)C1 1302221558 FAKRVPGGAGKWOZ-IIBYNOLFSA-N 496.609 2.412 30 10 JEEE COC(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)c2cccs2)C1 1315101782 BOKZVVOQRWMLBF-QGZVFWFLSA-N 480.550 2.220 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CCCNC(=O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1358957843 BFGIXRWYOYTGKY-LJQANCHMSA-N 478.018 2.388 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCN(CC)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1358960729 KODDYZMOPYGBBX-QGZVFWFLSA-N 476.603 2.157 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@H](C)Oc1ccccc1)[C@H]1CCS(=O)(=O)C1 1358966460 PJJZNRZTBWCEEA-RTWAWAEBSA-N 482.610 2.234 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 1358983927 BALNQZNBIAHYPI-SDHOMARFSA-N 477.609 2.366 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1359016933 PNMDOJOLIHVCBV-NKWDDMGQSA-N 464.501 2.087 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(Cl)s2)n1 1359028641 ZBEGTTAEDLDFKX-KRWDZBQOSA-N 473.990 2.475 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OCCCC)c(OC)c3)n2Cc2cnnn2C)CC1 1359032780 CMZMTOPXUPOTAM-UHFFFAOYSA-N 464.574 2.065 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OC)n2CC[C@H]2CCOC2)CC1 1359047371 DLGJVLOMYRPBJU-IBGZPJMESA-N 467.570 2.258 30 10 JEEE C#CCSCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](C(N)=O)C1 1359056303 CIWHEABXCHJZDJ-IAGOWNOFSA-N 462.620 2.071 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2sccc2C1 1359091836 SSHFQZGOHGGQJV-ZVZYQTTQSA-N 451.618 2.494 30 10 JEEE C=CCCCCn1c(Cc2ccncc2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1359205000 IIXOQOFXGKUREU-UHFFFAOYSA-N 484.630 2.173 30 10 JEEE C=CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1359217191 QSTFKSKMOBIYGS-SQNIBIBYSA-N 476.578 2.487 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1359245313 KASODGVLEXSQAN-MXLIYFDZSA-N 471.562 2.499 30 10 JEEE C=CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1Cc1nnc2n1CCC2 1359279179 WNMNWTGPPNSDFB-UHFFFAOYSA-N 461.368 2.271 30 10 JEEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)Cc1ccc(F)cc1F 1359298151 OZVXIQUAVCNVKO-UHFFFAOYSA-N 489.552 2.455 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@H]1CCSC1 1359309218 LDEOKSUMPQMNJO-RDJZCZTQSA-N 451.618 2.443 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CCN(C)C(C)C)C1 1359318285 AQXDQMXXAYFJCM-SFHVURJKSA-N 461.636 2.360 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1359328736 MUVFLZXEOCEOEP-GOSISDBHSA-N 461.588 2.190 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN(CCc2cccs2)CC1 1359330461 SFEXJAHBXKNADJ-UHFFFAOYSA-N 474.656 2.311 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1CCCC[C@H]1NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1465230885 BSBIGULXPVOKAL-SJLPKXTDSA-N 450.561 2.036 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCNC(=O)c1cc[nH]n1 1507533679 SHZPXRMCSBAXBX-INIZCTEOSA-N 470.578 2.004 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CCn1cc(Cl)cn1)[C@@H]1CCS(=O)(=O)C1 1507640611 ULQJIKXMEGKENU-GOSISDBHSA-N 492.964 2.173 30 10 JEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc(C(=O)NCC)cc1 1507649121 YNDFXBUJEGRXIJ-UHFFFAOYSA-N 489.605 2.109 30 10 JEEE C#CCN(CC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H](N1CCOCC1)C(F)(F)F 1507685426 PVTPIXFVNSHBCX-SFHVURJKSA-N 451.449 2.396 30 10 JEEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1507747543 DOXVUVJKMUKWKH-UHFFFAOYSA-N 488.061 2.494 30 10 JEEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)Cc1cnn(C)c1C 1507751041 CIOZYIOPWNRSGW-UHFFFAOYSA-N 462.583 2.237 30 10 JEEE C=C(Br)Cn1c(Cc2ccccn2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1507787231 GRTBDGFTFQZPCR-GOSISDBHSA-N 452.378 2.188 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1507805205 OINKDDQCXAYYQL-DHLKQENFSA-N 481.645 2.236 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cn(C)nc1-c1ccccc1 1507821307 YOOLGSQFCSKKFX-OAQYLSRUSA-N 499.641 2.462 30 10 JEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1507836059 VRDFHLQJKCQCHS-UHFFFAOYSA-N 467.549 2.444 30 10 JEEE C=CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C(=O)NC)CC1 1507927503 WOQXXAZNFYPIMI-UHFFFAOYSA-N 475.619 2.013 30 10 JEEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1507934456 GDVLNBDBHMTVGC-WOJBJXKFSA-N 462.620 2.255 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1COCCO1 1507997388 SIKZWJYHGSPCJA-HXUWFJFHSA-N 459.510 2.405 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N(C)CC(=O)Nc1c(C)cc(C)cc1C 1508142138 QSQNQLSVMGBVBW-LJQANCHMSA-N 475.615 2.383 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1508144249 SMCAEMKOTTVGAO-UHFFFAOYSA-N 495.653 2.398 30 10 JEEE C=CCSCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1508152499 ZFCBDJMSPCQXOM-LJQANCHMSA-N 468.627 2.309 30 10 JEEE CC(C)C1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@](C)(C#N)C2)CC1 1508877053 HZKFZHQQTHFSEE-FXAWDEMLSA-N 450.609 2.177 30 10 JEEE COc1ccc(CCn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@@H](C#N)C2)c(OC)c1 1518230950 BUAYDELRUCKXJD-SFHVURJKSA-N 482.566 2.258 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CCC(=O)NCCC)[C@@H]1CCS(=O)(=O)C1 1539210487 CDDBXNFWQLKPGT-GOSISDBHSA-N 463.991 2.142 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2cccc(COC)c2)CC1 1539489294 UDNZINHCZYGUNO-UHFFFAOYSA-N 475.597 2.300 30 10 JEEE C#CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1539516785 CQXJKZLSLXDCAS-QAPCUYQASA-N 450.586 2.026 30 10 JEEE C=C(C)COCCn1c(-c2ccc3ccccc3n2)nnc1N1CCN(CCOC)C(=O)C1 1539735066 FAPQJMYRTVTHJB-UHFFFAOYSA-N 450.543 2.381 30 10 JEEE C=CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1540013925 XYXCIHQCYJIDQF-UHFFFAOYSA-N 467.578 2.163 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCN(c2ccc(C)cc2)CC1 1540903934 HOTGBNCMYQSHCP-UHFFFAOYSA-N 466.611 2.500 30 10 JEEE CC(C)Cc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@H]1CCS(=O)(=O)C1 1541474687 CPHXUSWZUVXTKK-OAQYLSRUSA-N 456.616 2.105 30 10 JEEE CC#CCS(=O)(=O)c1cccc(C(=O)N(CCO)Cc2cnn(Cc3ccccc3)c2)c1 1545879869 INLYEMVWXRFKSL-UHFFFAOYSA-N 451.548 2.363 30 10 JEEE CCN1CCCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1547683403 DXNIGXRPHNSGBQ-QHCPKHFHSA-N 478.645 2.338 30 10 JEEE C=CCOc1ccccc1CNC(=O)N1CCN(C(=O)c2cccc(S(C)(=O)=O)c2)CC1 1564063014 HLKQDVKLJCEQBJ-UHFFFAOYSA-N 457.552 2.323 30 10 JEEE C#C[C@@H](NC(=O)N[C@H]1CCS(=O)(=O)C2(CC(C(=O)OC)C2)C1)c1ccc(Cl)cc1F 1565001969 FQELDYRCJKHPDI-VGYDTZKJSA-N 456.923 2.352 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CC3)n2C[C@@H](N2CCOCC2)C(F)(F)F)c1 1587689901 SFTSYCXAAPPWPD-LJQANCHMSA-N 476.503 2.475 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1Cc1csc(COC)n1)[C@@H]1CCS(=O)(=O)C1 1588069368 MJNQNNBECPJKDC-HXUWFJFHSA-N 485.635 2.341 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCN(C)CCOC 1588133335 DMVKMIABUUSGOB-FQEVSTJZSA-N 458.607 2.044 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@@H]2CCCOC2)CC1 1588763315 UJLDLWIXYXINFB-SFHVURJKSA-N 455.559 2.153 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2(N(C)C)CCCCC2)CC1 1588763376 WUFNGCNOCMLTAX-UHFFFAOYSA-N 484.670 2.368 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@](C)(O)c2ccccc2)CC1 1588930346 TYEPMHHBFUGINK-BWKNWUBXSA-N 451.571 2.393 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H](OC)C2CC2)CC1 1588962126 VNLOTPDUAZMDSR-OAQYLSRUSA-N 455.534 2.387 30 10 JEEE C=CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1594733542 UXARMHNSVGMODP-KURKYZTESA-N 460.579 2.268 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CCSC1 1595133621 JLFIIWXVQLTDNC-LAUBAEHRSA-N 466.604 2.380 30 10 JEEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(=O)N(C)C 1595243755 DRPLZOVXOKAYRS-UHFFFAOYSA-N 457.556 2.265 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1595476090 HUKKALDHKZTHAT-CTNGQTDRSA-N 485.596 2.499 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCN(c2ccc(C)cc2)C(=O)C1 1595788607 DIXUCNOIMGMTLC-UHFFFAOYSA-N 480.594 2.411 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2CC)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1595823352 NIHVJKRSHNJNBM-DVECYGJZSA-N 490.626 2.405 30 10 JEEE Cc1cccc(-c2nnc(N3CCN(c4ccc(C#N)cc4F)CC3)n2CCS(C)(=O)=O)n1 1612209375 FVXSPUCRUJLNJW-UHFFFAOYSA-N 469.546 2.031 30 10 JEEE CC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)N2CCSCC2)C[C@@H](C)O1 1614214894 AUYPVYUUNZRIQS-XLIONFOSSA-N 490.655 2.199 30 10 JEEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](c2ccco2)N(C)C)CCO1 1619753907 GMSQVXGBIQSDAX-SFTDATJTSA-N 466.542 2.476 30 10 JEEE CS[C@@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1620193394 DKTBBYHTXXGEDG-KRWDZBQOSA-N 455.588 2.142 30 10 JEEE N#Cc1ccc(N2C[C@H](C(=O)Nc3ccc(Br)cc3-c3nn[nH]n3)CC2=O)cc1 1641969141 FFANRJNWBWUFKA-GFCCVEGCSA-N 452.272 2.492 30 10 JEEE CN1CCC(CNC(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)(N2CCOCC2)CC1 1686784021 FDFXIGNMZVTLGR-UHFFFAOYSA-N 459.566 2.047 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H](C)SC)[C@@H]1CCS(=O)(=O)C1 1689981750 AQNIZTIUYPWIMI-NVXWUHKLSA-N 464.613 2.341 30 10 JEEE C#CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)Cc1ncnn1CC(F)F 1690170832 RKGIARDTVTVMED-UHFFFAOYSA-N 485.524 2.453 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1CCN1CCN(C)C(C)(C)C1 1690211066 RUNRXSOGPGGPEF-XMMPIXPASA-N 469.659 2.288 30 10 JEEE C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccccc21 1690228621 BCOJMQLAUGCVOP-INIZCTEOSA-N 468.377 2.214 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1690236842 RSKTZPFZTLVEMQ-UIFIKXQLSA-N 455.607 2.354 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1ccc(COC)o1 1690288135 JOASNPYGIWXDKV-IEBWSBKVSA-N 465.576 2.268 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1690678222 OWXWIFOASXSJPW-LLJLJFOGSA-N 490.605 2.037 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCN1CCCC1 1692660404 CFBHTQZOJZCKOF-QFIPXVFZSA-N 450.635 2.477 30 10 JEEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCC(C#N)CC3)n2Cc2ccccc2Cl)C1 1698312394 GHVZOIMGRUOMDN-SFHVURJKSA-N 464.979 2.053 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 1705495153 LJARAJUZGXSFRK-KSZLIROESA-N 465.620 2.285 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCCC(=O)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1705563366 WDAUMGDZYVNUSO-SFHVURJKSA-N 461.588 2.122 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1705563448 YAKHWBJLTFNBSH-SFHVURJKSA-N 463.991 2.437 30 10 JEEE C#CCN(c1nnc(C2CC2)n1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1705567082 TZSNORZDFABPLP-IEBWSBKVSA-N 477.631 2.429 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1CCc1ccc(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1705570880 VBRWSRGTKBWMIW-LJQANCHMSA-N 458.584 2.117 30 10 JEEE C#CCN1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC2(O)CCCC2)CC1 1705639851 XXOZUQINXQPMMS-UHFFFAOYSA-N 472.634 2.453 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2CCC(=O)NC2CCCCC2)CC1 1705641097 QFUKOYGWKMAJDD-UHFFFAOYSA-N 464.614 2.472 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2CC[C@]2(O)C[C@H]3CC[C@H]2C3)CC1 1705644318 MLFSCSOBLSCRIT-GCOVDLRRSA-N 484.645 2.104 30 10 JEEE C#CCSCCn1c(-c2cccc3cccnc23)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1705656747 HSJVJPYGSGGPRT-UHFFFAOYSA-N 491.621 2.033 30 10 JEEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1705692386 IMHIYIAPQLJXDS-LSDHHAIUSA-N 460.398 2.043 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1705699619 JHEGHPRPCRACHT-NSHGMRRFSA-N 460.604 2.148 30 10 JEEE C=C(C)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1705725618 LHJRCLWLFQFXND-NRFANRHFSA-N 454.575 2.357 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)n(C)c1=O 1705866012 DYMKXGWJYULHQD-SFHVURJKSA-N 473.624 2.490 30 10 JEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](c2nc(CC)cs2)C1 1705890886 OIGMKZLPXHMNSA-DOTOQJQBSA-N 466.633 2.200 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCCN(C(C)=O)CC1 1705938315 VFBRGOMHEOALIS-UHFFFAOYSA-N 475.615 2.133 30 10 JEEE CC(C)CN1CCO[C@H](Cn2c(CNC(=O)c3cccs3)nnc2N(C)C[C@H](C)C#N)C1 1706517198 COABCDOWZKRKBN-MSOLQXFVSA-N 459.620 2.222 30 10 JEEE COCCN(CCC#N)c1nnc(-c2c[nH]c3ccccc23)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1712454426 FWZTYRCJJCIBIR-QGZVFWFLSA-N 471.587 2.074 30 10 JEEE C#CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1722325848 OWUQFKZODKCVPJ-UHFFFAOYSA-N 461.588 2.284 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Cl)n1CCCN1CCC(O)CC1)[C@@H]1CCS(=O)(=O)C1 1722360643 BKMASWKOPZQAPA-GOSISDBHSA-N 492.045 2.072 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1C[C@H]1CC(=O)N(c2ccccc2)C1)[C@H]1CCS(=O)(=O)C1 1722365374 NMXIOBPJMBINDR-DYXWJJEUSA-N 469.611 2.471 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1CCOc1ncccc1F)[C@H]1CCS(=O)(=O)C1 1722366870 SFQRRVGQMVVYNM-FQEVSTJZSA-N 483.569 2.417 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H](SC)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1722370318 NEKINQBVWJVJDE-MANSERQUSA-N 484.688 2.407 30 10 JEEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1722462537 VTUNHBWRYLDHIB-UHFFFAOYSA-N 488.608 2.258 30 10 JEEE C=C(Br)Cn1c(C2CC2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1722482899 DFLYCYUIOPTQME-KDOFPFPSSA-N 451.413 2.443 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1([S@@](C)=O)CC1 1722672836 AEJSYSDLQFTEIP-HZAQMHFWSA-N 462.641 2.326 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc(-c2cccc(C)n2)n1C[C@@]1(O)CCS(=O)(=O)C1 1722673575 WQXCWNZCQFPERF-DEOSSOPVSA-N 467.595 2.433 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CC=C(COC)CC1 1722696556 BOEBHEACRYZWIA-UHFFFAOYSA-N 477.569 2.150 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC[C@H](CC(N)=O)C1 1722723849 GWUCPXJOGISAGV-GOSISDBHSA-N 482.610 2.494 30 10 JEEE C=CCSCCn1c(-c2ccccc2F)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1722735788 PMKBFUZWSFEXIN-UHFFFAOYSA-N 460.579 2.177 30 10 JEEE C=CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1722739795 IPGYQBGSQLSJSG-CQSZACIVSA-N 460.585 2.136 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1CC1([S@@](C)=O)CC1 1723611861 FGFADOWPCUYDOF-MGBGTMOVSA-N 490.033 2.179 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCNC(=O)c1occc1C 1740542183 QBEASRNQGWNIGF-QGZVFWFLSA-N 459.514 2.100 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1C[C@@H](c1cccc(C)c1)N1CCOCC1 1740557038 HNJRKRKJPHQFGG-IRLDBZIGSA-N 450.587 2.240 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCCNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1740627108 OHOOEICQFITGJH-ROUUACIJSA-N 481.619 2.061 30 10 JEEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1ccc(F)cn1 1740643978 XGXBFKLSWFUEBE-UHFFFAOYSA-N 457.557 2.298 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCOC[C@H]1OC 1740645956 WCGBAIYQKIKMQM-SLFFLAALSA-N 457.575 2.474 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1C[C@@]1(O)CCN(C)C1 1740649424 UDAIPUQHPHQDBM-CJFMBICVSA-N 451.571 2.346 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H](OC)c2ccccc2)CC1 1740691939 DAGBDIBUMVSPFU-RCZVLFRGSA-N 453.587 2.462 30 10 JEEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(OCCC)c(OC)c2)CC1 1740698658 JHPQXNNHITUWRC-UHFFFAOYSA-N 466.586 2.001 30 10 JEEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(c2cnn(C)c2)CC1 1740713392 KQOZERIKVFUQQW-UHFFFAOYSA-N 467.599 2.389 30 10 JEEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC(N2CCNC2=O)CC1 1740714151 WWJGSSLBCSUNMT-UHFFFAOYSA-N 470.599 2.323 30 10 JEEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1740718124 IFNSRLNSQJDZJM-LEWJYISDSA-N 474.675 2.409 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1C1OCCO1 1740774759 ZXYLIMHGQISZDJ-HXUWFJFHSA-N 491.614 2.107 30 10 JEEE C=C(C)COCCn1c(-c2ccccn2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1740790790 NQAOXKRFJPFVQI-JOCHJYFZSA-N 469.634 2.164 30 10 JEEE C=C(Cl)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1740803797 NNUKAASLRHVNOC-WSTZPKSXSA-N 483.057 2.381 30 10 JEEE C=CCC(C)(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1740845395 NGDNIMUZLBIGIN-UHFFFAOYSA-N 499.645 2.431 30 10 JEEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCC(c2nnc3n2CCCC3)CC1 1740881038 VNIXUWNUPOPKLH-UHFFFAOYSA-N 456.595 2.321 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCCN(C(C)=O)CC1)C(C)C 1740924250 LCRGRODHVCMASE-QFIPXVFZSA-N 471.650 2.271 30 10 JEEE C=CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1740944128 VHPVGDDUQYCUFD-HTAPYJJXSA-N 454.575 2.137 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1740952634 JWCCYQQKKMAPIO-QVKFZJNVSA-N 476.375 2.394 30 10 JEEE C=CCOc1ccccc1Cn1c(-c2cccn2C)nnc1N1CCN(CC(=O)NCC)CC1 1740968491 BTXLBWFFMNCLLL-UHFFFAOYSA-N 463.586 2.155 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1740982008 RVELAFUVFHOFOB-KJXVGZKYSA-N 484.507 2.455 30 10 JEEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(N2CCCCC2=O)CC1 1747412816 HWBQCLZZIDIDJR-UHFFFAOYSA-N 470.599 2.233 30 10 JEEE C#CCCCCn1c(Cc2csc(C)n2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1748719339 YDZUDQYGOZGRQV-QFIPXVFZSA-N 455.588 2.252 30 10 JEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(Cc2ccc(F)cc2)CC1 1748732399 ZMIOENSLHXSJHH-SFHVURJKSA-N 462.595 2.153 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1Cc1ccc(C)nc1)[C@@H]1CCS(=O)(=O)C1 1748824535 PYSBNHYKLLFQKR-HXUWFJFHSA-N 469.542 2.375 30 10 JEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CC(=O)N(C)Cc1ccccc1 1748856140 SOUVFIUSYOBXFN-UHFFFAOYSA-N 460.563 2.001 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(NC(=O)C2CCC2)c1 1748959922 AQRKVBCRPXVCJJ-FQEVSTJZSA-N 450.543 2.102 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@H]1CC=CCO1 1748960633 LYLPOEFVNMLTOL-IBGZPJMESA-N 462.554 2.496 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2Cc2cnn(CCOC)c2)CC1 1748977383 HNYKHYQEQZEZEW-LJQANCHMSA-N 467.549 2.204 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2Cc2ccc(OC)nc2)CC1 1749006262 LIGNTRKUFGPGGG-UHFFFAOYSA-N 460.538 2.371 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@](C)(O)CC)CC1 1749020407 RXQQVYKECDRYHP-CEYNDMKZSA-N 488.633 2.176 30 10 JEEE C=C(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1749181555 KUBNZNBOSZVKBX-UHFFFAOYSA-N 474.993 2.164 30 10 JEEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CCOC)[C@@H](C)C1 1749271075 MOVQFCLIMZWMKX-ROUUACIJSA-N 485.029 2.496 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1749368915 TYJMJDYLPHCOQM-UYAOXDASSA-N 491.662 2.016 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1749678042 TWDKPTXEJRKVPQ-UHFFFAOYSA-N 486.580 2.369 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCc2cc(OC)c(OC)cc2CC1 1749736126 ZWTKRLXAVIJGKJ-LJQANCHMSA-N 476.599 2.005 30 10 JEEE C=CCSCCn1c(Cn2ccc3ccccc32)nnc1N1CCN(CC(=O)N(C)C)CC1 1749761160 WGVJUSZINIPKEJ-UHFFFAOYSA-N 467.643 2.411 30 10 JEEE CC(C)(C)S(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2CCOCC2)CC1 1750517794 CTZUUVLFRQTZMW-UHFFFAOYSA-N 486.642 2.331 30 10 JEEE CC(C)C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N(C)C)CC1)N(C)C 1750694077 DGLHVBWQYNWSDE-QFIPXVFZSA-N 466.634 2.003 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2ccc(C)nc2)CC1 1760260937 DPZOEGVTRZNAPJ-OAQYLSRUSA-N 481.601 2.093 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2C[C@H]2CCOC[C@@H]2OC)CC1 1760270916 FOSMUQOFOQCJES-GGAORHGYSA-N 481.597 2.183 30 10 JEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC(NC(=O)c2ccccc2)CC1 1760272200 BREOZXJPIGJRBF-UHFFFAOYSA-N 454.600 2.182 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 1760312843 FLGICRZWLQTJNW-KURKYZTESA-N 473.578 2.482 30 10 JEEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(C1)OCc1ccccc12 1760352871 ZOEYSBHSWNMQTN-VGOFRKELSA-N 461.588 2.117 30 10 JEEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1760354406 ZQVFQTSEOINHIF-UHFFFAOYSA-N 461.998 2.233 30 10 JEEE C=C1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1760393938 RCIZCAVDGNMIGM-HDICACEKSA-N 495.646 2.145 30 10 JEEE C=CC[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)c1ccccc1 1760416333 ARQCQUMSJBNCCK-VQTJNVASSA-N 457.600 2.497 30 10 JEEE C=CCn1c(CCc2ccc(OC)cc2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1760512212 NYNKCMHHMJKSGF-AUSIDOKSSA-N 452.603 2.247 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1760518439 VEFWDNCEOBZFPC-SJORKVTESA-N 458.950 2.157 30 10 JEEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(C(F)(F)F)CC1 1760522762 DEQHDYFMZFYYHW-UHFFFAOYSA-N 485.536 2.319 30 10 JEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](CN2CCC(C)CC2)C1 1760527014 XFKIPVNHUDPOJO-JOCHJYFZSA-N 468.650 2.390 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1760551958 XUABUPRHJMVNQD-OAHLLOKOSA-N 491.010 2.352 30 10 JEEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2cccc(C)n2)C1 1767263990 BRKQUXXETGMRLD-JOCHJYFZSA-N 495.609 2.193 30 10 JEEE CS(=O)(=O)C1(Cn2c(-c3ccc(Br)s3)nnc2N2CCO[C@@H](C#N)C2)CC1 1771341649 DCOHOFMSLGHLDB-NSHDSACASA-N 472.390 2.075 30 10 JEEE CSC1(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@H](S(C)(=O)=O)C2)CCN(C)CC1 1771408076 CHPFZKUBJYZDBJ-IBGZPJMESA-N 474.656 2.267 30 10 JEEE Cn1cc(C(=O)N2CCN(Cc3cccc(C(=O)Nc4ccc(C#N)cc4)c3)CC2)ccc1=O 1860905402 ANSBQWVYSBXJGU-UHFFFAOYSA-N 455.518 2.467 30 10 JEEE Nc1cccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(O)c([N+](=O)[O-])c2)c1 1862562822 ONCNGFNDDSFQDY-NRFANRHFSA-N 482.493 2.183 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCNC(C)=O)[C@H]2c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 1862697376 GYFYBMYVACBZRC-NRFANRHFSA-N 497.460 2.089 30 10 JEEE CCN1CCN(C(=O)[C@H](CCSC)NC(=O)C2CCN([C@H](C#N)c3cccs3)CC2)CC1 1868782300 GMPWHJWNWLEVDE-VQTJNVASSA-N 477.700 2.427 30 10 JEEE C=CCn1cc(OCC(=O)Oc2ccc(CC)cc2)c(=O)cc1CN1CCN(C(C)=O)CC1 1870473017 MRNBFAYHQLNJSX-UHFFFAOYSA-N 453.539 2.245 30 10 JEEE CCN(CC)C(=O)CSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1ccc(O)c(O)c1 1874335026 FBUTYNLMQIBNFG-IMQYADFFSA-N 474.587 2.256 30 10 JEEE COc1cc(/C=N/n2c(SCCO)nnc2[C@@H]2CC(=O)N(C(C)C)C2)cc(Cl)c1O 1874341800 SIZYXTFDGDJBRQ-FCQRQVBFSA-N 453.952 2.337 30 10 JEEE N#Cc1ccccc1S(=O)(=O)N1CC[C@H](COc2ccc3nnc(C(F)(F)F)n3n2)C1 1890307553 SRDOOHWCXNWASW-LBPRGKRZSA-N 452.418 2.104 30 10 JEEE CC(C)(C)OC(=O)NCCC[C@@H](NC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)C(=O)O 2059770196 PZHAMYGCPDPBRU-HUUCEWRRSA-N 456.540 2.448 30 10 JEEE CC1(C)[C@@H](O)CC[C@]2(C)C3=C([C@@H](O)C[C@@H]12)[C@]1(C)[C@H](O)C[C@H]([C@@](C)(O)C[C@H]2OC2=O)[C@@]1(C)CC3=O 2069562954 QUDLVHSYSRPJNA-GLKVYIKRSA-N 476.610 2.284 30 10 JEEE CO[C@H]1[C@@H](C(=O)N2CCC=C(B3OC(C)(C)C(C)(C)O3)C2)N(C(=O)OC(C)(C)C)C[C@H]1OC 2205490657 WKDDXTKMNDYRME-FGTMMUONSA-N 466.384 2.426 30 10 JEEE CC(C)(C)OC(=O)N1CCCN(CC(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)CC1 2206615289 XHWFDMXFAWSTOJ-UHFFFAOYSA-N 460.384 2.262 30 10 JEEE CC[C@@H](C#N)S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)CC1 2215056681 QEIUSIAJFGSKAE-INIZCTEOSA-N 460.597 2.408 30 10 JEEE CC(C)(C)OC(=O)N[C@H](C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)[C@H](O)C(F)(F)F 2254211545 HHXICQKHOOBECM-ULQDDVLXSA-N 456.465 2.039 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@@H]1CNC(=O)c1csc(B2OC(C)(C)C(C)(C)O2)c1 2255706575 KVJFPTKANCQMKB-HNNXBMFYSA-N 452.382 2.413 30 10 JEEE C[C@@H](CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1F)NC(=O)OC(C)(C)C 2255747223 HFMWGRDZGUKCKF-ZDUSSCGKSA-N 458.361 2.316 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](NS(=O)(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2255949131 UMFNFDCFWJQYCX-INIZCTEOSA-N 452.382 2.274 30 10 JEEE CC(C)[C@@H](CCNC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2267009666 POSOEPLKXIIDAP-MRXNPFEDSA-N 450.389 2.389 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@@H](NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)cs3)[C@H]2C1 2267138344 UKJBQZNHAZKSSA-OAGGEKHMSA-N 464.393 2.411 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](NC(=O)c2ccc(Cl)cc2B2OC(C)(C)C(C)(C)O2)C1 2267508933 MTIZLCOGJXOUEC-SJORKVTESA-N 466.771 2.349 30 10 JEEE COC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)Oc1ccc(N)c(B2OC(C)(C)C(C)(C)O2)c1 2267814346 AZBBWCUWZRGBJC-CXAGYDPISA-N 450.341 2.402 30 10 JEEE CC(C)(C)OC(=O)NCCN1CCC(NC(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)CC1 2281797072 QGWRFHWLHDEELI-UHFFFAOYSA-N 480.440 2.161 30 10 JEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC2CCC(C)(NC(=O)OC(C)(C)C)CC2)n1 2281956348 XCFUKRSCKCUCGR-UHFFFAOYSA-N 463.388 2.070 30 10 JEEE Cc1nn(C)c(C(=O)N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2281983848 ZNODWDOTQAHPIP-MRXNPFEDSA-N 462.400 2.405 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(F)c(C(=O)N[C@@H]2COC[C@@H]2NC(=O)OC(C)(C)C)c1 2282019894 RQCIEABKMXBWIL-SJORKVTESA-N 464.343 2.455 30 10 JEEE C[C@@H]1CN(Cc2ccccc2)C[C@H]1CNS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282299106 RDCHBSLOCIIBQA-UYAOXDASSA-N 471.432 2.427 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2CCN(Cc3ccccc3)C(C)(C)C2)n1 2282496349 ZHIOYBLFEQZNDO-UHFFFAOYSA-N 474.436 2.004 30 10 JEEE C[C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282535113 ZVARWTVEHYLJOG-CVEARBPZSA-N 462.400 2.485 30 10 JEEE C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)CCN1C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2282568865 JHDFLOZITVWPGN-CVEARBPZSA-N 462.400 2.485 30 10 JEEE Cc1c(C(=O)N2C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]2C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282592573 FFZPUXNIRIBZAA-LSDHHAIUSA-N 462.400 2.498 30 10 JEEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cn2C)CCO1 2282683527 FDDQKYZUHQGBJB-QAPCUYQASA-N 463.384 2.079 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@@H]2NS(=O)(=O)Cc1ccccc1B1OC(C)(C)C(C)(C)O1 2282834767 XQKZXOQOFPKFMY-NZSAHSFTSA-N 478.420 2.413 30 10 JEEE COC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C1 2283925816 FNMSBOHRGLLHNY-LJQANCHMSA-N 460.380 2.410 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1NC(=O)[C@@H](NC(=O)OC(C)(C)C)C1COC1 2284017868 PEBTXWUTHVVROS-SFHVURJKSA-N 462.352 2.473 30 10 JEEE CC(C)(C)OC(=O)NCC(C)(C)OCCNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2295773565 MVHPJYNQKFSKEM-UHFFFAOYSA-N 463.384 2.431 30 10 JEEE COc1cc(C=C2Oc3c(CN4CCN(CCO)CC4)c(O)cc(C)c3C2=O)cc(OC)c1OC 2296558637 CKILOHRSJBFIEZ-UHFFFAOYSA-N 484.549 2.453 30 10 JEEE CO[C@@H](CNC(=O)OC(C)(C)C)CNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2339878788 OMAFVVFWQZXAKA-OAHLLOKOSA-N 452.332 2.394 30 10 JEEE O=C(NCC#Cc1ccc(N2CCOC2=O)cc1)c1ccc(S(=O)(=O)N2CCCC2)cc1 96349871 YBDAWSJCHJCLLO-UHFFFAOYSA-N 453.520 2.209 30 10 JEEE N#Cc1cc(CO)ccc1-n1cnc(I)c1I 302386678 FJAHEPHUDZCSOW-UHFFFAOYSA-N 451.005 2.445 30 10 JEEE C#CCN(C(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(C)cc2)c1)[C@H]1CCS(=O)(=O)C1 729330317 AJASMVYMGURUQP-FQEVSTJZSA-N 460.577 2.367 30 10 JEEE CC#CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NO[C@@H](COC)C(=O)O 757202845 VGGPSLWRUHRGJO-YADHBBJMSA-N 466.490 2.455 30 10 JEEE CC#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1C[C@H](O)C[C@H]1C(=O)O 757205767 BATMYCMNSMMZIS-XARZLDAJSA-N 462.502 2.354 30 10 JEEE C=CCC1(C(=O)N2CCCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)CCOCC1 1136477017 STWPXTIRECGBQJ-UHFFFAOYSA-N 450.557 2.054 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCCS(=O)(=O)c1ccccc1 1286287771 DCCVXYYQPLUYDZ-MRXNPFEDSA-N 455.540 2.328 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc(C)o3)n2CCS(=O)(=O)NC(C)C)c1 1286308595 BNTZGAXKKJJTIM-UHFFFAOYSA-N 484.582 2.231 30 10 JEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 1286323630 KZVQQBHQEHDSFT-RBUKOAKNSA-N 463.648 2.362 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccc(OC)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 1286398905 SULXDJICLVLUEH-VQIMIIECSA-N 464.975 2.467 30 10 JEEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@H]1CCC[C@@H](O)C1 1286415432 KFGZLYISYYJNKP-UKILVPOCSA-N 460.626 2.267 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2sccc2c1 1286429929 DUOGUMFKZMSJDQ-HXUWFJFHSA-N 483.619 2.337 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(C)nc3ccccc23)n1CCN/C(O)=C1/N=CC=CC1=O 1286459963 SHQNEKWMRJLZKX-BZZOAKBMSA-N 485.548 2.414 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@@]2(O)CCSC2)CC1 1286473957 ZDHZNRRGUKXOJQ-FQEVSTJZSA-N 462.417 2.331 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1286545992 DWIGUOHDCSZKOS-UFYCRDLUSA-N 458.607 2.236 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)OCC)CC1 1286546377 IVSZOBTVMWPMQH-IEBWSBKVSA-N 462.595 2.456 30 10 JEEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1286683155 KTMNENGYYMDTCW-CVEARBPZSA-N 456.613 2.348 30 10 JEEE C=CCNC(=O)Cn1c(N2CC[C@@](O)(c3ccc(C)cc3)C2)nnc1[C@]1(OC(C)C)CCOC1 1286792766 HGHBXXYDOHGGSM-DQEYMECFSA-N 469.586 2.027 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@@H](CC)C1 1286816474 LSGMXAFQWWROIZ-QGZVFWFLSA-N 456.576 2.148 30 10 JEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N(C)Cc1ccc(Cl)s1 1286822922 PGWMGWJDUIVSHP-UHFFFAOYSA-N 458.009 2.353 30 10 JEEE CC(C)NS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C2CC2)O[C@H](C)C1 1288268029 AJMBPLAMDLUJBF-OXQOHEQNSA-N 458.588 2.148 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1ccc(N(CC)CC)nc1)[C@@H]1CCS(=O)(=O)C1 1300495989 MEKIUCCIUFCOHI-RTWAWAEBSA-N 486.642 2.436 30 10 JEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@](C)(O)c1ccccc1 1300527437 ISCIOSRVOALROK-XMMPIXPASA-N 462.579 2.219 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCOCCN(C)C 1300534893 FLXBWEPNXJATJZ-HXUWFJFHSA-N 458.607 2.044 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1Cc1cccc(CN2CCO[C@@H](C)C2)c1 1300671720 NMEOUQVUYHHXGM-NZQKXSOJSA-N 453.587 2.137 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@H]2CCO[C@@H](C)C2)CC1 1300700062 LGSOKRBKLIIMGE-HBMCJLEFSA-N 488.633 2.157 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CCS(=O)(=O)CC 1300870201 RAYAJKRMTIOWTK-ICSRJNTNSA-N 496.655 2.201 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC[C@H](c3nc(C)cs3)C2)nnc1[C@@]1(OCC)CCOC1 1301520465 XNLSASVUWQTBEN-HTAPYJJXSA-N 460.604 2.381 30 10 JEEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1301593549 PHCGPPCSOYWDGX-UHFFFAOYSA-N 479.006 2.267 30 10 JEEE CC(=O)NC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@](C)(O)c2cccs2)CCO1 1301910649 FENBSLGPAJVPRS-YKSBVNFPSA-N 496.593 2.039 30 10 JEEE CCC(CC)(Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@@H](C#N)C1)OC 1305692455 FGOYHLHOUICOTP-INIZCTEOSA-N 451.531 2.126 30 10 JEEE CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1CC(C)(C)N1CCC(OC)CC1 1306244027 BGKKRWRURIKFAF-NRFANRHFSA-N 465.602 2.421 30 10 JEEE CC(=O)N1CCC(C)(C)c2cc(S(=O)(=O)N3CCN(c4ncccc4C#N)CC3)ccc21 1309029425 RGNFKLFIQDMCJH-UHFFFAOYSA-N 453.568 2.498 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1nnnn1CC1CC1 1358887797 CAQWVHZNYAZMMU-WMZOPIPTSA-N 469.594 2.295 30 10 JEEE C#CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN2C(=O)OC[C@H]2C1 1358904466 FBINVSMROOATEN-GOSISDBHSA-N 456.934 2.306 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H](C)N(C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1358960783 LSGOVALFLHQTKX-TZIWHRDSSA-N 466.611 2.435 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCC(=O)N(CC)CC 1358991845 QPIHGVWVIAUVTJ-UHFFFAOYSA-N 473.581 2.304 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC2([S@@](C)=O)CCC2)CC1 1359039891 ZVWGFVNEDRQEDU-GPWHBBDMSA-N 490.674 2.407 30 10 JEEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1359057329 WZEYTDGWDPXASO-FDFHNCONSA-N 488.702 2.165 30 10 JEEE C#CCSCCn1c(CSc2ccc(C)cc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1359061981 SCXCBQPQGKJAFK-UHFFFAOYSA-N 498.678 2.172 30 10 JEEE C#CCSCCn1c(N2CCN(Cc3cc(C)on3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1359062539 KWWLFHHPOICYSD-HSZRJFAPSA-N 474.631 2.304 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCS(=O)(=O)CC1 1359093557 PBXRVZBTTKJMQL-CZUORRHYSA-N 470.393 2.252 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1-n1ccnc1 1359114069 XBNDHWUGGNQPAL-NRFANRHFSA-N 485.614 2.247 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2c(F)cccc2OC)CC1 1359132415 WXUKGZOVHAFVAA-SFHVURJKSA-N 458.538 2.296 30 10 JEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 1359227926 PSGZCZNQPAXQLE-ZWKOTPCHSA-N 483.635 2.266 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@H](C(=O)NC)C1 1359328961 UACZSJASXSAACA-INIZCTEOSA-N 496.431 2.271 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCN(Cc2cc(C)no2)CC1 1359330011 CTEDFRGTGPTHMX-UHFFFAOYSA-N 486.598 2.173 30 10 JEEE COC(=O)[C@@H]1CN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)C[C@H]1c1ccc(O)cc1 1469727447 AROLGJIBOXVUMU-QXCFHYIPSA-N 458.515 2.049 30 10 JEEE C#C[C@@H](NC(=O)N1CCN(CCS(=O)(=O)c2ccc(Br)cc2)CC1)C(C)C 1478758534 IHXYSJKCRPFMJZ-GOSISDBHSA-N 456.406 2.208 30 10 JEEE C#CCCCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)Cc2cccc(OC)c2)CC1 1507562868 ANTTVPMTYXZLAD-NRFANRHFSA-N 451.571 2.485 30 10 JEEE C#CCN(c1nnc(-c2ccccc2F)n1CC[S@](=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1507629558 NYQJAHTZLWKDLF-JTBPQFFMSA-N 466.604 2.258 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1ccc(N(C)C)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1507631485 PYTWZDKNLCOOPX-QGZVFWFLSA-N 456.547 2.153 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1507669234 KBUJMSYMVGLPPD-HSZRJFAPSA-N 461.614 2.220 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(CCC)CCC2)CC1 1507737643 BAUWNLIFWIEOIE-LJQANCHMSA-N 461.632 2.116 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CCOCC)CC1 1507803236 FIWVGFKQSBUIDO-CTNGQTDRSA-N 469.590 2.065 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1507825446 XBWCCNVARRGROI-IBGZPJMESA-N 472.615 2.363 30 10 JEEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2cccc(Cl)c2)CC1 1507831598 BFCCFOSIYWUNRV-KRWDZBQOSA-N 463.991 2.372 30 10 JEEE C=CCN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCC[C@@H]1NC(=O)NC1=O)C1CC1 1507995747 NHRCHJWUMHFZRE-IRXDYDNUSA-N 473.578 2.493 30 10 JEEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1508047273 DSAAEBSIYQGDNR-GSHUGGBRSA-N 461.588 2.154 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCc2cnn(C)c2)C1 1508119629 XIWLXUVMCPEBRZ-FQEVSTJZSA-N 470.599 2.496 30 10 JEEE COc1cc(Cl)ccc1-c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC(=O)N(C)C 1518021151 GCFCYGSDBDOMLI-OAHLLOKOSA-N 495.975 2.072 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OCC)CCOC3)n2C[C@@](C)(O)CC)c1 1539040270 PIKHHIDEMIADLX-ZEQRLZLVSA-N 455.559 2.147 30 10 JEEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](C(=O)OC)[C@H](CNC(=O)OC(C)(C)C)C1 1539119923 PAWLMBSHNCDPBV-GUDVDZBRSA-N 475.590 2.336 30 10 JEEE C#CCN(C)c1nnc(COc2ccc(F)cc2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1539195071 LGRZRWGXJNYXNH-FXAWDEMLSA-N 461.563 2.270 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1ccc(OC)cc1OC)[C@H]1CCS(=O)(=O)C1 1539220434 JIUKDAWYNPUHKP-AZUAARDMSA-N 474.583 2.212 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cn(C)c3ccccc23)n1CCS(=O)(=O)NC(C)C 1539312480 QOSDFSFUVAFMFQ-UHFFFAOYSA-N 452.584 2.228 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@]1(C)OCCc2sccc21 1539538105 CGSCTLFUZMJDGV-IPHXSNPTSA-N 463.629 2.430 30 10 JEEE C=C(C)Cn1c(COc2cccc(C)c2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1539716327 XDCPDFRPPPFOCQ-UHFFFAOYSA-N 472.571 2.382 30 10 JEEE C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 1539963569 YASNKTQWZGMGSI-XVAXZDLZSA-N 471.650 2.402 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(C(=O)CC2CCCCC2)CC1 1540867907 LNTZWOTZWMUUES-UHFFFAOYSA-N 451.575 2.261 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@]2(O)CCO[C@H]2C)C1 1540883530 AYTPMCPFWZALTJ-ZBQZNYHESA-N 452.353 2.357 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@]2(CCOC2)C1 1540897776 SAINHFQBLKHWFC-HTAPYJJXSA-N 480.562 2.154 30 10 JEEE Cc1ccsc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(C#N)C1 1542110110 BQAWBXKPNWGMRD-OXQOHEQNSA-N 464.617 2.159 30 10 JEEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(CC(C)(C)C)n1C[C@H]1CCCN1CCCO 1544581907 BLALLTDOUAQZTJ-WOJBJXKFSA-N 481.649 2.090 30 10 JEEE CCOC1CC(O)(Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)C1 1548039436 HTVQJYDEJWYSDA-ORRGBTROSA-N 461.588 2.005 30 10 JEEE CN(C)S(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCOC2(CCCCC2)C1 1552890089 GPQTXQUWGDPNJZ-UHFFFAOYSA-N 488.614 2.160 30 10 JEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 1587766195 QDJVHJWFWJTWHH-ZWKOTPCHSA-N 465.620 2.335 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1CC1(COC)CCC1)[C@@H]1CCS(=O)(=O)C1 1588035812 XXCXYXPDUOCCFJ-LJQANCHMSA-N 488.610 2.406 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CC(C)(C)N1CCC(OC)CC1)[C@H]1CCS(=O)(=O)C1 1588041548 XSQJKWPCVBNNFQ-IBGZPJMESA-N 489.642 2.363 30 10 JEEE C#CCN(c1nnc(C2CC2)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1588050621 UAISBTFGMXPABC-WMZOPIPTSA-N 465.620 2.285 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CCc1ccc(OC)cc1OC)[C@@H]1CCS(=O)(=O)C1 1588064322 GAVIQGWZYSQDRQ-OAQYLSRUSA-N 495.605 2.151 30 10 JEEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1CC1(OC)CCCC1)[C@@H]1CCS(=O)(=O)C1 1588070286 XZJJOQLFBUFEES-LJQANCHMSA-N 488.610 2.452 30 10 JEEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(N2CCOCC2)c(F)c1 1588089892 QNKIBRPFBCEIPM-RUZDIDTESA-N 467.545 2.027 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@]1(C)COCCO1 1588314743 PMTSDGUGJHDTDJ-DEOSSOPVSA-N 450.543 2.330 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CC[C@@H](N2CCOCC2)C(F)(F)F)CC1 1588885617 XXDSICALTNIONX-GOSISDBHSA-N 484.567 2.195 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CC(=C)C)CC1 1588923808 MMEZTLTWQIOHCB-UHFFFAOYSA-N 459.554 2.217 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CC(C)(C)N2CCC[C@H](C)C2)CC1 1588930573 ZGPXVMWIBJAPGA-PZJWPPBQSA-N 456.635 2.258 30 10 JEEE C#CCSCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1588993514 KGKBWFKTZVVTAU-UHFFFAOYSA-N 490.536 2.434 30 10 JEEE C#CCSCCn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1589097024 LCCUZHOFTRUHCE-QUCCMNQESA-N 455.584 2.373 30 10 JEEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCN(C(=O)COc2ccc(F)cc2)CC1 1595570191 ZSTFKJODBRPKJZ-UHFFFAOYSA-N 484.576 2.180 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1595776724 DNZFYNOBAZUQFW-INIZCTEOSA-N 482.532 2.490 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C2CC2)C1 1595797165 FBMWEUQAXYVPJG-GBESFXJTSA-N 495.646 2.122 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCS[C@@H](C(C)C)C1 1595837703 BQZKVMDJHVWLPY-KSZLIROESA-N 458.650 2.181 30 10 JEEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC2(CCCCC2)C1 1595885032 YZPUIZSFDSAKSL-SFHVURJKSA-N 485.676 2.070 30 10 JEEE C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N2CCOCC2)C[C@@H]1C 1612861774 DOKPONDSKILWMT-MOPGFXCFSA-N 452.559 2.460 30 10 JEEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@H](c2ccsc2)C1 1618839686 DKYHLKOEPMMBLN-BEFAXECRSA-N 472.596 2.394 30 10 JEEE COc1ccccc1OCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@H](C)OC 1619453082 DSJTZJFJPCDOGO-SFHVURJKSA-N 463.542 2.494 30 10 JEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@]1(Cc2ccc(F)cc2)CCC[C@@H]1O 1625204470 CCTNHFGGQRUNFE-JFJYTDJESA-N 459.543 2.254 30 10 JEEE Cc1cc(N2CC[C@H](NC(=O)CNC(=O)c3ccc(C#N)cc3)C2=O)ccc1Br 1632486760 CEAQVPLHHCGYSN-SFHVURJKSA-N 455.312 2.281 30 10 JEEE C#CCCCNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 1635908236 TYWIBZXUVKWNFL-OAQYLSRUSA-N 454.508 2.495 30 10 JEEE C#CCC1(O)CCN(C(=O)[C@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc(C)cc2)CC1 1643512409 BZRCBUZIQSRXNO-HSZRJFAPSA-N 452.576 2.487 30 10 JEEE C=CCC1(CNC(=O)Nc2ccc(S(=O)(=O)N[C@H]3CCS(=O)(=O)C3)cc2)CCCC1 1667039727 JYRKVJBRBLDRJD-KRWDZBQOSA-N 455.602 2.410 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1cccc(OC)c1 1689930454 RRWRWWSACKWKPV-LEWJYISDSA-N 473.599 2.375 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1Cc1ncccc1C)[C@H]1CCS(=O)(=O)C1 1689991913 DSBKSVLNDGUAMW-FQEVSTJZSA-N 453.543 2.386 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@H]1CCOC[C@H]1OC 1690099629 FXBOHXSTYLCDPS-SIKLNZKXSA-N 450.543 2.268 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCCOC)CC1 1690137692 GSRQRIIHEFHLAG-UHFFFAOYSA-N 463.380 2.428 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1nc2c(s1)CCCC2 1690189803 BWJDZILHBVABJQ-YCRPNKLZSA-N 462.645 2.458 30 10 JEEE C=C(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1690279821 GXFOCIMDHLMPLR-UHFFFAOYSA-N 463.951 2.210 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCC(=O)N(C)C 1690571859 LARIXOPRGFCQNR-SFHVURJKSA-N 463.579 2.380 30 10 JEEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CCN(c2ccnc(C)n2)CC1 1690674794 FRACTFWBDILFOV-UHFFFAOYSA-N 460.586 2.181 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@H](C)C2)cc1 1690680267 NHSGJGBLJFRUOT-PXNSSMCTSA-N 461.588 2.070 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccnc(OCC(F)(F)F)c1 1694352713 FFHOWZJPGDYTED-MRXNPFEDSA-N 481.479 2.310 30 10 JEEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N(C)C[C@@H](C)c1nccs1 1696501249 BDHBRXAHDVSDHS-OAHLLOKOSA-N 459.601 2.452 30 10 JEEE CNS(=O)(=O)c1cccc(Cn2c(Cc3ccccn3)nnc2N2CCC[C@@](C)(C#N)C2)c1 1697018921 CXPQYBNRYLBAQH-QHCPKHFHSA-N 465.583 2.350 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1Cc1cccnc1OC)[C@@H]1CCS(=O)(=O)C1 1705562384 BEJAHGXIXOTQQC-QGZVFWFLSA-N 472.958 2.072 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCCc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1705564197 AXKOHNNGPNSZEO-SFTDATJTSA-N 472.611 2.440 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1C[C@@H](CC)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1705570833 RWWYOLMYWGXYHB-MSOLQXFVSA-N 467.636 2.407 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCN(CC)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1705571531 AGGASQYAUDIQGL-ZWKOTPCHSA-N 481.619 2.013 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(c2ccc(OC)cc2)CCC1 1705589128 NJWPODRGKZPCFJ-IBGZPJMESA-N 469.611 2.482 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(F)ccc2Br)n1CCC[C@@H]1NC(=O)NC1=O 1705592400 VVHOFBVFDHJIAK-KRWDZBQOSA-N 487.333 2.298 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1cccc(C(F)(F)F)n1 1705623835 GDLUBSOWGOAUNB-UHFFFAOYSA-N 483.458 2.469 30 10 JEEE C#CCN1CCN(c2nnc(CCCOc3ccc(Cl)cc3C)n2C[C@@]2(O)CCN(C)C2)CC1 1705641593 LTYPPLUMWBJQQU-RUZDIDTESA-N 487.048 2.073 30 10 JEEE C#CCN1CCN(c2nnc(COCC)n2C[C@H](c2ccc(OC)cc2)N2CCCC2)CC1 1705642713 FKSZJTKTLWNEQG-HSZRJFAPSA-N 452.603 2.416 30 10 JEEE C=CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ncccn2)CC1)c1ccccc1 1705795300 GZLFXOHIZQPZGO-PZJWPPBQSA-N 496.641 2.365 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)NC(C)C)n1CC(=O)NCC(F)(F)F 1705863096 HUIJNKDAOFPPQH-UHFFFAOYSA-N 456.444 2.427 30 10 JEEE C=CCOc1ccc(Cn2c(-c3cccc(C)n3)nnc2N2CCN(CC(=O)N(C)C)CC2)cc1 1705911208 BUCFFJJPXWBZCP-UHFFFAOYSA-N 475.597 2.472 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)C[C@@H]1CCOC1 1705931630 WFVUSECPWWWMGY-KRWDZBQOSA-N 456.572 2.409 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC(CO)CC1 1705933511 JRYLAHBQIJJINA-UHFFFAOYSA-N 454.980 2.417 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCOc2ccccc2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1705937659 AKUAGLDZHYIVFC-HXUWFJFHSA-N 490.626 2.275 30 10 JEEE COC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1711482670 FOCUPGDVDXOAQY-UHFFFAOYSA-N 455.538 2.276 30 10 JEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1COCCC)[C@H]1CCS(=O)(=O)C1 1722360146 ZHJSCNKYLOBKKQ-QFIPXVFZSA-N 499.637 2.116 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H](OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1722360893 COIUNIJTAJNROE-RXVVDRJESA-N 474.583 2.014 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1CCC[C@@H]1OC)[C@@H]1CCS(=O)(=O)C1 1722362848 PAQMZHFYGUAGRN-ZCNNSNEGSA-N 488.610 2.404 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H]1CCCN(C(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1722364041 DLKGVJYMKWVAJI-FGZHOGPDSA-N 470.643 2.011 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2C[C@H](CC(C)C)NC(=O)OCC)CC1 1722439528 FYGVGWOYEYBSEG-NRFANRHFSA-N 453.591 2.180 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Br)n2C[C@@]2(C)CN(C)C2=O)CC1 1722445307 PDZUFURNSHXCGB-HSZRJFAPSA-N 499.413 2.152 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCS(=O)(=O)CC1 1722491258 JIAHABINOSRBPT-ICSRJNTNSA-N 473.599 2.363 30 10 JEEE C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1722518719 HVYOAOQXVAYYBL-QGZVFWFLSA-N 462.396 2.355 30 10 JEEE C=C(C)COCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN2C(=O)CC[C@H]2C1 1722531181 OVDPVVWCXALKOH-SFHVURJKSA-N 471.558 2.375 30 10 JEEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1722581105 APVXOZNKAQBUJO-WMZOPIPTSA-N 465.624 2.285 30 10 JEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2ccc(F)c(F)c2)C1 1722618951 XNUPWNABEAHRBQ-VQTJNVASSA-N 497.568 2.433 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1722690383 JAVKEIUYIWTHRS-NNMXDRDESA-N 486.592 2.406 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1722704377 RVZFVVUYXZLYFP-LJQANCHMSA-N 483.598 2.193 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1722731933 SFRTWVUGMDGWQC-LEWJYISDSA-N 476.599 2.151 30 10 JEEE CC(=O)N1CCCN([C@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCCCCO)C[C@@H]2C)CC1 1722777009 LVWHXYZMYQIOBP-RDPSFJRHSA-N 479.629 2.358 30 10 JEEE CC(C)C(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CC2)C1 1723069834 AHYPQFAJXVFNCU-IBGZPJMESA-N 484.626 2.383 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1C[C@](C)(O)c1ccco1 1723611882 FXHOMZKNUAOGGC-DEOSSOPVSA-N 481.532 2.254 30 10 JEEE CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(CC#N)CC2)cc1OC 1728863908 BFDOSBUXRIXCSV-INIZCTEOSA-N 476.603 2.474 30 10 JEEE CN(C)[C@]1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)CCSC1 1729326061 DKAHZFAMQZSBPU-KNQAVFIVSA-N 474.656 2.267 30 10 JEEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCCN(c2nccc(OCC)n2)CC1 1740576833 IUPTVPIUGIXLKS-UHFFFAOYSA-N 466.590 2.109 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1CC(=C)Cl)[C@H]1CCS(=O)(=O)C1 1740620702 XBZXASQEGCCEIE-INIZCTEOSA-N 450.948 2.342 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@](C)(O)c2cc(C)oc2C)CC1 1740709836 MERZGJDICKQEOI-YBXDKENTSA-N 499.612 2.085 30 10 JEEE C=C(Cl)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N(C)CCS(C)(=O)=O 1740808962 DTDORVOEIMQHLY-UHFFFAOYSA-N 464.979 2.298 30 10 JEEE C=CC[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(C)(OC)C1)c1ccccc1 1740856449 SWXIOZQQKQOQEX-UXHICEINSA-N 475.615 2.196 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCC[C@H](CN2CCOCC2)C1 1740956552 VEDZRZHOZPQUPO-GOSISDBHSA-N 458.994 2.449 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)N2CCCC2)nnc1N1CCCN(CC)C(=O)C1 1740968455 IYGBGBOWXHVTGX-UHFFFAOYSA-N 452.559 2.186 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H]2CC[C@H](CO)O2)C1 1740970174 GAKQYPBYHUSSST-SLFFLAALSA-N 475.977 2.183 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H](COC)C1 1740987378 SXCOJKMQRMITPX-AWEZNQCLSA-N 472.409 2.499 30 10 JEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN([C@@H](C)c2ccc(F)cc2F)CC1 1748732275 XNERIZMOQSETRI-SJORKVTESA-N 480.585 2.463 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1CCOc1ccc(F)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1748811481 HTALCXZEYMECOZ-MRXNPFEDSA-N 475.521 2.268 30 10 JEEE C#CCN(c1nnc(C2CCC2)n1Cc1ccccc1OCCN(C)C)[C@H]1CCS(=O)(=O)C1 1748815991 VGCYDIBDODSPIJ-NRFANRHFSA-N 471.627 2.161 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CC=CCO1 1748881081 BHFPMQHZFAJYAI-FQEVSTJZSA-N 453.568 2.003 30 10 JEEE C#CCN1CCN(c2nnc(CSc3ccccc3OC)n2CCN2CCN(C)C(C)(C)C2)CC1 1749000330 SBHNHGZQISQFIN-UHFFFAOYSA-N 497.713 2.360 30 10 JEEE C=C(C)Cn1c(N2CCCN(S(C)(=O)=O)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1749207432 KHTBZMSMOGCECN-CALCHBBNSA-N 468.624 2.097 30 10 JEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(Cl)cc1)C1CC1 1749518952 BNCKCKVZUCLXOY-GOSISDBHSA-N 451.980 2.468 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cn2nc(C)cc2C)n1CC(=O)N1CCOCC1 1749536305 HDCGYECJCYDULK-UHFFFAOYSA-N 474.569 2.063 30 10 JEEE C=CCSCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1749746726 MORAFNWUBSZPRT-CQSZACIVSA-N 481.409 2.318 30 10 JEEE C=CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCO[C@H](C(=O)NC)C1 1749747045 TVHNVLRNTBBDIZ-KRWDZBQOSA-N 451.980 2.478 30 10 JEEE C#CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H](C)CN1CCOCC1 1760171313 ACGQMPDMMKCSQH-WOJBJXKFSA-N 460.623 2.430 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1CC(C)(C)SC)[C@H]1CCS(=O)(=O)C1 1760183645 CMUSABGCOWYHJH-KRWDZBQOSA-N 476.624 2.485 30 10 JEEE C#CCN(c1nnc(-c2nnc(O)c3ccccc23)n1CC(CC)(CC)OC)[C@H]1CCS(=O)(=O)C1 1760188345 KEFPVSHZFOKQOP-KRWDZBQOSA-N 498.609 2.426 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1CCc1cn[nH]c1)[C@@H]1CCS(=O)(=O)C1 1760191575 JRYMDZXETCRYQK-HXUWFJFHSA-N 468.583 2.066 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2OC)n1Cc1cccc(N2CCOCC2)n1 1760199158 QEKAZRCINAOTDZ-UHFFFAOYSA-N 472.549 2.315 30 10 JEEE C#CCN(CC#C)c1nnc(CCOc2ccccc2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1760206565 DTFLHWWDOWAZAT-GMAHTHKFSA-N 481.622 2.177 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(F)ccc3Br)n2CC2(S(C)(=O)=O)CC2)CC1 1760254981 RTCZEQXGIJJEGS-UHFFFAOYSA-N 496.406 2.179 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCN(C)Cc2ccc(F)cc2)CC1 1760270183 TYNLVWKODIXERW-QFIPXVFZSA-N 482.604 2.409 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(CCOC)CC1 1760317221 CINZLCVGPUUMET-IFMALSPDSA-N 489.642 2.098 30 10 JEEE C=CCCCn1c(CCCc2ccccc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1760443627 WQFDAVAFTLYOPW-UHFFFAOYSA-N 450.587 2.347 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2Cc2ccc(C(N)=O)nc2)C1 1760537207 LNHOEYBTFRYWRH-GOSISDBHSA-N 464.526 2.286 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCC(=O)NC(C)C)C1 1760539751 VDHSVECTODECCP-GOSISDBHSA-N 461.588 2.045 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1760557420 LCEWKAKLILRMDV-PMACEKPBSA-N 459.616 2.439 30 10 JEEE Cc1ccc(SCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCCN2CCCO)cc1 1761873802 IAPVVUQHTFSRRS-WOJBJXKFSA-N 456.616 2.454 30 10 JEEE CCC[C@@](C)(O)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1763748753 DNCYYYHIIGNLRN-XMMPIXPASA-N 469.565 2.289 30 10 JEEE CN(C)C(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(Cn2cccn2)CC1 1766868067 IBIJMLHFNJNYOB-UHFFFAOYSA-N 462.558 2.320 30 10 JEEE CS(=O)(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)NC2CCCCC2)CC1 1770348201 BHPWTEPXUGXEHO-UHFFFAOYSA-N 499.641 2.174 30 10 JEEE N#Cc1ccccc1S(=O)(=O)Nc1ccc(N2CCN(S(=O)(=O)c3ccccc3)CC2)nc1 1858448536 CZMCBUDWAXBEFN-UHFFFAOYSA-N 483.575 2.265 30 10 JEEE CCOC(=O)c1sc(NC(=O)CNC(=O)c2cc(OC)c(OC)c(OC)c2)c(C#N)c1C 1859475713 HTKYTKQBZNOHMQ-UHFFFAOYSA-N 461.496 2.499 30 10 JEEE CC[C@@H](NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(=O)N1CCN(c2ncccn2)CC1 1868794395 BVTVJLMWEICLFG-WOJBJXKFSA-N 481.626 2.058 30 10 JEEE CCCCCCCCn1cc(OCC(=O)N2CCOCC2)c(=O)cc1CN(CC)CCO 1870582050 PNXBFUDXTLTVEH-UHFFFAOYSA-N 451.608 2.261 30 10 JEEE C#CCOc1cn(Cc2ccc(S(N)(=O)=O)cc2)c(CNc2ccc(OC)c([N+](=O)[O-])c2)cc1=O 1871008383 TVLYUYBUYGSDBX-UHFFFAOYSA-N 498.517 2.085 30 10 JEEE C=CCn1c(C(=O)NCCc2ccc(F)cc2)cc2c(N3CCC(C(N)=O)CC3)ncnc21 1873594636 YIZCOMZRBNTXLQ-UHFFFAOYSA-N 450.518 2.431 30 10 JEEE C=CCn1c(C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)cc2c(N3CCN(C(C)=O)CC3)ncnc21 1873644756 HDNXYSLKFLGOPF-UHFFFAOYSA-N 479.497 2.455 30 10 JEEE COc1cccc(CCc2nnc(SCC(N)=O)n2/N=C/c2cc3c(cc2[N+](=O)[O-])OCCO3)c1 1874309482 YEEYEONTIVBBQI-WYMPLXKRSA-N 498.521 2.211 30 10 JEEE CC(C)N1CCN(CC#CCOC2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)CC1 1890458404 QZTVEBXEZIXDDD-UHFFFAOYSA-N 455.571 2.164 30 10 JEEE COc1cccc(-n2nnc3c(N4CCN(C(=O)Nc5cccc(C#N)c5)CC4)ncnc32)c1 1891266568 ZHGMQVXTTZDOSQ-UHFFFAOYSA-N 455.482 2.445 30 10 JEEE N#C[C@H]1CN(S(=O)(=O)c2cc(CO)sc2Br)CCN1Cc1ccccc1 2101586769 NRJGOLSLHOIFFW-AWEZNQCLSA-N 456.387 2.402 30 10 JEEE CN(C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCN(C(=O)OCc2ccccc2)C1 2247827752 JLJVJSKUWMEBHB-KRWDZBQOSA-N 454.336 2.192 30 10 JEEE CN(C1CN(C(=O)OC(C)(C)C)C1)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2255750053 DHMAGNKQJCMGHQ-UHFFFAOYSA-N 452.382 2.226 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](F)C[C@@H]1C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2256623153 BIMFIEYCZVYWIA-QWHCGFSZSA-N 455.361 2.406 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](CNC(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)CO1 2267012962 CTEZCHYRCWRAFO-GOEBONIOSA-N 450.341 2.238 30 10 JEEE CCc1nn(C)c(C(=O)N[C@H](C)CN(C)C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267136403 KEHFLZYDEMZFID-CQSZACIVSA-N 450.389 2.267 30 10 JEEE Cc1nc(C(=O)N2[C@H]3CC[C@H]2CN(C(=O)C(F)(F)F)C3)c(B2OC(C)(C)C(C)(C)O2)s1 2267475038 FCFYSHAQHQYNEV-RYUDHWBXSA-N 459.299 2.128 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@](O)(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2F)C1 2281776410 RSHALOCKIMDNQV-QHCPKHFHSA-N 464.343 2.227 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2F)[C@H](O)C1 2281783994 RZBWKKRMCDRNFG-DLBZAZTESA-N 464.343 2.225 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](CO)[C@H](NC(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)CC1 2281823160 NXLZYMYABCREPL-NVXWUHKLSA-N 464.368 2.317 30 10 JEEE COC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1c(C)nsc1B1OC(C)(C)C(C)(C)O1 2281961614 OKPZUEIBDGLTRC-HNNXBMFYSA-N 481.424 2.459 30 10 JEEE C[C@H]1CC[C@H](NC(=O)C(F)(F)F)CN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2282343834 RWQGHHVZNVWGAC-ZFWWWQNUSA-N 476.326 2.206 30 10 JEEE CCn1cc(C(=O)N2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)nc1B1OC(C)(C)C(C)(C)O1 2282528599 UUCJVTHYCUBOAZ-WBVHZDCISA-N 460.384 2.284 30 10 JEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CCOCC12CN(C(=O)OC(C)(C)C)C2 2282568462 CFOXAHWOOPBBMH-UHFFFAOYSA-N 462.352 2.349 30 10 JEEE C[C@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1O 2282972310 NXPLZCYBQDSAQF-SWLSCSKDSA-N 456.270 2.363 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2COC[C@]2(C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)C1 2283915426 DMKDIYAVMSGREN-NPMXOYFQSA-N 459.352 2.203 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1C(=O)N1CCc2cccc(B3OC(C)(C)C(C)(C)O3)c21 2284041760 QICDTTNEVMYIFH-FUHWJXTLSA-N 458.364 2.415 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2CCc3cc(B4OC(C)(C)C(C)(C)O4)ccc32)C1 2284045057 IJEJVYCOKYBXQC-XMMPIXPASA-N 458.364 2.247 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CC(NS(=O)(=O)c2ccc(N)cc2C#N)C1 2287600189 YJJWPZKVCGAKQL-UHFFFAOYSA-N 495.602 2.275 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2C[C@@]2(CNC(=O)OC(C)(C)C)C1 2288246604 DYSYFILMJHLBON-NPMXOYFQSA-N 460.384 2.015 30 10 JEEE CCOc1ccc(C(O)=C2C(=O)C(=O)N(CCOCCO)[C@@H]2c2ccc(C(=O)OC)cc2)cc1 2296265546 LSCPMHWBSIKVMS-OAQYLSRUSA-N 469.490 2.303 30 10 JEEE COc1ccc(C=Nn2c(Cc3ccc(OC)c(OC)c3)nnc2SCC(N)=O)cc1O 2326738965 ZMTUDKBTNKDVCJ-UHFFFAOYSA-N 457.512 2.060 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(N2CCS(=O)(=O)CCN2C(=O)OC(C)(C)C)n1 2337022310 OSDJIBLQXNWYGH-UHFFFAOYSA-N 467.397 2.076 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@]2(CF)CCN(C(=O)OC(C)(C)C)C2)n1C 2362324459 RZFZSLVVPFPYBV-QFIPXVFZSA-N 466.363 2.107 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H]3CC[C@@H]32)n1C 2362333248 RPSQCYYIQVTDMX-JKSUJKDBSA-N 460.384 2.252 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@]23CCN(C(=O)OC(C)(C)C)C[C@H]2C3)n1C 2362339886 LOHOYHSQKAUQFP-IQMFZBJNSA-N 460.384 2.157 30 10 JEEE Cn1cc(C(=O)N2CCC3CC2(CNC(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)n1 2366061772 RFKYIOCNDWQXNG-UHFFFAOYSA-N 460.384 2.239 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@H](C(=O)N3CC[C@@](C)(B4OC(C)(C)C(C)(C)O4)C3)O[C@H]2C1 2368439233 VGJIAUAYSXUOOM-ZDPRRSKRSA-N 466.384 2.475 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@H]2C[C@@H](NC(=O)c3nscc3B3OC(C)(C)C(C)(C)O3)C[C@@H]21 2369087213 BRGHWQLAWLTVSK-CWRNSKLLSA-N 479.408 2.339 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](CN=c2cc(B3OC(C)(C)C(C)(C)O3)c(F)c[nH]2)N2CC[C@H]1C2 2372001586 YFZNYLKVKUMQRZ-JKSUJKDBSA-N 462.375 2.047 30 10 JEEE NC(=O)CSc1nnc(NC(=O)CSc2n[nH]c(N/N=C/C=C/c3ccccc3)n2)s1 20834155 ZZDRNVCZSGDTCH-SIARZVSRSA-N 475.585 2.076 30 10 JEEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)COC(=O)Cn2ncc3ccccc32)CC1 730634839 CWZXDCRZMVVRHU-UHFFFAOYSA-N 460.450 2.048 30 10 JEEE C[C@@H](OC(=O)CN(C)C1=NS(=O)(=O)c2ccccc21)C(=O)Nc1sc2c(c1C#N)CCC2 857614485 FEFFFQLCQTULMC-GFCCVEGCSA-N 472.548 2.060 30 10 JEEE O=C(CSc1n[nH]c(NN=Cc2cc(Br)ccc2O)n1)Nc1nncs1 1084445469 RKXMRTYVBBASBY-UHFFFAOYSA-N 455.323 2.301 30 10 JEEE CC(=O)c1ccc(NC(=O)CSc2nnc(NN=Cc3cccc([N+](=O)[O-])c3)n2N)cc1 1084609954 MECOERFVDWBQFZ-UHFFFAOYSA-N 454.472 2.280 30 10 JEEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2cc(C(=O)N3CCOCC3)ccc2OC)c1 1142645708 GHWWTBMZJRUYHK-UHFFFAOYSA-N 456.520 2.217 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OCC)CCOC3)n2CCC2(O)CCC2)c1 1286308927 MSKQYJMJSVFPTD-RUZDIDTESA-N 467.570 2.292 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H](C)CN1CCN(CC)CC1 1286398958 UULHTFUJFZEIQT-OAQYLSRUSA-N 475.641 2.494 30 10 JEEE C#CCN(CC#CC)c1nnc(Cc2csc(C)n2)n1CC[C@@H](C(F)F)N1CCOCC1 1286429358 GCRVJLKMSISDOH-IBGZPJMESA-N 462.570 2.453 30 10 JEEE C#CCN1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CCN(CC)CCC)CC1 1286479921 QHGJLQKFVNBLCX-UHFFFAOYSA-N 476.629 2.162 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CCOC)C(=O)C1 1286548437 BCZGMIUVCYXCST-UNMCSNQZSA-N 450.543 2.093 30 10 JEEE C=C(C)COCCn1c(Cc2cn3ccccc3n2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1286609073 HBTQKWCZHQSHCR-HXUWFJFHSA-N 451.575 2.414 30 10 JEEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(NC(=O)c2ccco2)cc1 1286714245 MRNVAVAIFHTQIC-HNNXBMFYSA-N 458.544 2.404 30 10 JEEE C=CCOc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)CCn2cccn2)cc1 1286797522 WUGWBHNOQAIOOZ-IBGZPJMESA-N 456.572 2.126 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1286816137 FVCIRWDDLIKDKM-FQEVSTJZSA-N 456.572 2.340 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](c2ccc(F)cc2F)C1 1286818415 IHORGHYTRGIDSI-LJQANCHMSA-N 478.525 2.136 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1286821646 RDULAVIOGOTOSB-NRFANRHFSA-N 494.061 2.424 30 10 JEEE COc1cc(C(=O)NCC(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)ccc1OC(F)F 1293348848 FIIRNILIEGREPQ-SFHVURJKSA-N 458.465 2.263 30 10 JEEE CN(C)C(=O)[C@H]1CCCN1CCCn1c([C@@H]2CCOC2)nnc1N(C)Cc1ccc(C#N)cc1 1297954278 GMQYRSXFPFOENX-FGZHOGPDSA-N 465.602 2.233 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCS(=O)(=O)CC=C 1300305093 SIAOQWYGQMFFAA-KRWDZBQOSA-N 468.583 2.124 30 10 JEEE C#CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(CC(F)F)CC1 1300386722 UEZWXEURZXNRSN-UHFFFAOYSA-N 465.574 2.347 30 10 JEEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1C[C@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1300431655 JQCYRVYJQPWZIT-LYXWCMDISA-N 475.590 2.024 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1CCCCN1CCC[C@@H]1CO)[C@@H]1CCS(=O)(=O)C1 1300487403 JABNCHXUBYYIDQ-FGZHOGPDSA-N 485.654 2.117 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1CC1([S@@](C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1300489922 WCEMZTCBJPYBOF-INCQDFKNSA-N 485.006 2.275 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1CC1(C(=O)N(C)C)CCCC1)[C@@H]1CCS(=O)(=O)C1 1300499792 XCXOEHGJYOBBPU-JOCHJYFZSA-N 497.665 2.453 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@]1(C)CCCS1)[C@@H]1CCS(=O)(=O)C1 1300502443 UQIWJCNBLONVRG-WIYYLYMNSA-N 462.645 2.052 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCN1CCSCC1 1300560930 JOIORGDVHVCVMB-UHFFFAOYSA-N 469.611 2.483 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2C[C@@]2(OC)CCOC2)CC1 1300690644 FGODRRKSQJSHEV-VWLOTQADSA-N 469.586 2.303 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCCO2)n1CCN1CCN(C(C)=O)CC1 1301337502 HLRDVWVURDBRBR-HSZRJFAPSA-N 468.602 2.495 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N(C)C[C@H](c1cccs1)N1CCOCC1 1301491071 LIYNMJUICAGNBM-LJQANCHMSA-N 469.615 2.157 30 10 JEEE CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCCCC2)CCO1 1301898483 FIKFXXSYEURKMD-JOCHJYFZSA-N 451.575 2.034 30 10 JEEE CC(C)OCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCC2)CC1 1303572339 DMFKRRSOZBHHGX-UHFFFAOYSA-N 454.575 2.191 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)NC(=O)OC(C)(C)C 1303638651 BMIICSDXZZPEOK-LSDHHAIUSA-N 454.597 2.222 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1ccc(OCCN(C)C)cc1 1303846835 CHVSXJMXCIOYON-FDDCHVKYSA-N 489.646 2.007 30 10 JEEE CCN(C)C(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1313555651 HKYQGWXJWXDVSN-UHFFFAOYSA-N 496.019 2.241 30 10 JEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)c2nc(N(C)C)ncc2Br)cc1 1355491740 BBFMESCGWLQUKO-UHFFFAOYSA-N 454.350 2.364 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(-c2ccsc2)nc1 1358889401 BKDRLEDYAFRGJZ-OXJNMPFZSA-N 486.623 2.241 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Br)n1CCCOC)[C@@H]1CCS(=O)(=O)C1 1358959427 IPTGHFUCFZNWRX-OAHLLOKOSA-N 467.389 2.371 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1cccc(CN(C)CC)c1)[C@H]1CCS(=O)(=O)C1 1358961383 XPNPDKKWUBEZEK-QFIPXVFZSA-N 478.622 2.467 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H]1CCCCN1CCC)[C@H]1CCS(=O)(=O)C1 1358964824 HYQCXTPCWZYUHO-VXKWHMMOSA-N 470.643 2.155 30 10 JEEE C#CCN(c1nnc(CCOc2ccccc2)n1C[C@H]1OCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1358965885 DARRCLWQHNPVRM-TZIWHRDSSA-N 472.611 2.341 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1=CCCOC1 1359025479 PSBGOLXBSSNGHM-IBGZPJMESA-N 461.563 2.019 30 10 JEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](Oc2ccccc2)C1 1359049859 XGJOBWVDTAIKHA-PKOBYXMFSA-N 463.629 2.303 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccc2C)nnc1N(C)CC(=O)N1CCOCC1 1359101395 NVLADLCQGBFXFT-QPPBQGQZSA-N 453.587 2.454 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H]1CCCOC1 1359189661 QROFBFKGDLYPDT-ROUUACIJSA-N 455.625 2.076 30 10 JEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(=O)CC2CCCC2)CC1 1359228182 WCLHKGIVLXYTAF-OAQYLSRUSA-N 493.674 2.392 30 10 JEEE C=CCn1c(-c2cc(OC)ccc2Br)nnc1N1CCC(NS(C)(=O)=O)CC1 1359284553 XADIWJBOQMXLJU-UHFFFAOYSA-N 470.393 2.420 30 10 JEEE C=CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(CC(=O)NCCOC)CC1 1359285097 FOYZCFPLNZTREG-UHFFFAOYSA-N 453.374 2.323 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC(NC(=O)c2ccccc2)CC1 1359299894 PIUKAVGYTGULLW-FQEVSTJZSA-N 452.559 2.221 30 10 JEEE C#CCNS(=O)(=O)c1cccc(C(=O)NCc2cc(OC)c(O)cc2Br)c1 1452859449 DLOXVWCUJDZUSU-UHFFFAOYSA-N 453.314 2.005 30 10 JEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC(NC(=O)Nc2ccccc2)CC1 1464441065 BBYJDAWCXWWFRG-MRXNPFEDSA-N 455.540 2.038 30 10 JEEE C#CCNC(=O)C1CCN(C(=O)[C@@H](NS(=O)(=O)c2ccc3ccccc3c2)C(C)C)CC1 1467452167 NAQXGZSHVIUOIG-QFIPXVFZSA-N 455.580 2.131 30 10 JEEE CCC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)N2CCOCC2)CCO1 1500282842 DBTIIMAMQILSRC-DENIHFKCSA-N 454.575 2.455 30 10 JEEE CN(C)C1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@H](CC(N)=O)C2)CCC1 1503389320 BODCSEUOTVBFMR-LJQANCHMSA-N 451.575 2.305 30 10 JEEE C#CCCCCn1c(CCOc2ccccc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1507569684 IHNVWYSKEZUBRY-UHFFFAOYSA-N 466.586 2.277 30 10 JEEE C#CCCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCN(CC(=O)NCCOC)CC1 1507577457 QAJXBNJMUVZNKF-IBGZPJMESA-N 484.670 2.429 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)o2)n1Cc1ccc(NC(C)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1507628437 OOPRUPOAYNMMPR-HXUWFJFHSA-N 467.551 2.480 30 10 JEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(C)(C)N1CCC(OC)CC1 1507652316 FUCHEDRNKNPARY-UHFFFAOYSA-N 490.656 2.414 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(NC(=O)c2ccco2)cc1 1507653794 RGLNNAWOBMMDHN-LJQANCHMSA-N 477.546 2.147 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@H]2CCC[C@H]2C)CC1 1507719052 XNQROQVGTJVTDK-TZIWHRDSSA-N 470.643 2.387 30 10 JEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](CNC(=O)c2ccccc2)C1 1507753677 HXUNZZJIZMSXCU-QUCCMNQESA-N 466.611 2.242 30 10 JEEE C#CCSCCn1c(N2CCC(CNC(=O)C(F)(F)F)CC2)nnc1[C@@]1(OCC)CCOC1 1507758143 JVMYSEKXQVXDKT-HXUWFJFHSA-N 489.564 2.192 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN([C@H](C)c2ccsc2)CC1 1507830495 BUCTWHHQHNMBPK-MJGOQNOKSA-N 480.660 2.132 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1507920861 ODSVYYZQXRTCCO-UFYCRDLUSA-N 461.607 2.432 30 10 JEEE C=CCCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1507952999 ZKWSLKXULGRZQH-AVRDEDQJSA-N 454.623 2.095 30 10 JEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1508058805 GEPLOVPVCFMFHP-AABGKKOBSA-N 476.622 2.320 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC(S(C)(=O)=O)CC1 1508071955 CCUGHJGWRZZZKT-SFHVURJKSA-N 475.615 2.351 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCO[C@H](C)C1 1508141185 LPNNRCBYQYPXSL-QZTJIDSGSA-N 483.635 2.219 30 10 JEEE CC[C@H](C)[C@@H](Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCO[C@@H](C#N)C1)OC 1512752200 FTLNPYPTIUFVEJ-ABSDTBQOSA-N 465.558 2.465 30 10 JEEE CCOCC(C)(C)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1516428425 BPAYXBCVKWHYNB-ROUUACIJSA-N 454.579 2.221 30 10 JEEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(C)CCCO2)C[C@@H]1C 1519222082 CYEBUQYQWGWIID-YADARESESA-N 454.575 2.455 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC1CC(c2ccccc2)C1)[C@@H]1CCS(=O)(=O)C1 1539201138 XEACFIVSOJVLEP-DQVLVPHSSA-N 469.611 2.237 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1Cc1cc(F)cc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1539203465 QEOXQIMLZRLGOE-LJQANCHMSA-N 491.589 2.019 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1CCCC(=O)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1539218845 FBLVSSOLANDODQ-GOSISDBHSA-N 451.637 2.142 30 10 JEEE C=C(C)CN(CC)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1539645689 PLFFXQSAQVFYFW-SFHVURJKSA-N 453.595 2.417 30 10 JEEE C=C(C)COCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1539744665 SJIQXFKKIBACCE-IBGZPJMESA-N 493.612 2.478 30 10 JEEE C=C(Cl)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C)C(=O)[C@H]1C 1539803084 DKNJESNLDVPRAX-HUUCEWRRSA-N 454.959 2.006 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1540866003 ZLSNQTVNIVHNMR-OAQYLSRUSA-N 452.603 2.358 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCN(CCOC)[C@@H](C)C2)cc1 1540877299 QCAVLZVYVXQLDM-FQEVSTJZSA-N 468.602 2.284 30 10 JEEE CC(C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@@]2(CCO[C@H]2C)C1 1544721548 BYOAJKLDIZKEKR-YTZAWJCFSA-N 452.559 2.362 30 10 JEEE COCCNC(=O)[C@H]1CN(C(=O)c2ccc(C)nc2)CCN1c1ccc(C#N)c(C(F)(F)F)c1 1548368137 WZSCPWTXEYLGPG-HXUWFJFHSA-N 475.471 2.374 30 10 JEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCOC[C@@H]1c1nc2ccccc2s1 1556312856 HCLPQQILYDNVIX-RDTXWAMCSA-N 456.549 2.435 30 10 JEEE N#Cc1ccc(N2CCN(C(=O)Nc3cccc(S(=O)(=O)C4CCOCC4)c3)CC2)nc1 1562858208 CXEHNIQWPXNJIA-UHFFFAOYSA-N 455.540 2.260 30 10 JEEE C#CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1587822746 CFTYTSGNUNCSOT-FQEVSTJZSA-N 451.531 2.010 30 10 JEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1587823717 WNORSGXZZCIOLL-FQEVSTJZSA-N 454.556 2.073 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@H](Cc1ccccc1)OC)[C@@H]1CCS(=O)(=O)C1 1588045538 MIXZRXDWTMAFKQ-RTWAWAEBSA-N 467.595 2.168 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CC[C@@H]1CCO[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1588065320 WUAFAROFCFEONE-ZVDOUQERSA-N 457.600 2.096 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccnc(C(F)(F)F)c1 1588574712 QHJUYTBESMLIAS-UHFFFAOYSA-N 459.432 2.474 30 10 JEEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)CCc2ccc(OC)cc2)CC1 1593625369 SJTXDYCCJVHAAX-HXUWFJFHSA-N 452.559 2.095 30 10 JEEE C=C(C)COCCn1c(-c2ccccc2C)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1593721837 FOZOEBIDFFDEIZ-NRFANRHFSA-N 489.642 2.477 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCN(C(C)=O)C1 1595142991 WGRKUMHFDPLYFO-WMZOPIPTSA-N 480.660 2.401 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCNC(=O)OC(C)(C)C)C1 1595755633 ZQNNPNVLSPPKLV-KSZLIROESA-N 451.568 2.308 30 10 JEEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1614978295 GRKHHPQWVBNBJH-UHFFFAOYSA-N 466.615 2.346 30 10 JEEE CCCOc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H](C)CN2CCOCC2)cc1OC 1615006145 FVFACCZJVJCLEY-FPOVZHCZSA-N 484.601 2.440 30 10 JEEE CCN(CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(=O)NC)C1)C1CC1 1615659564 FTYGLKTVOHLGHE-LJQANCHMSA-N 451.575 2.175 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@@H]2CCCN(S(=O)(=O)c3cncc(C#N)c3)C2)C1 1622321726 CUJLNETYUZURAG-LMMKCTJWSA-N 450.561 2.426 30 10 JEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@]1(Cc2ccc(F)cc2)CCC[C@H]1O 1625204471 CCTNHFGGQRUNFE-POCHDABASA-N 459.543 2.254 30 10 JEEE C#CC[C@H](CO)NC(=O)c1ccc(I)c(I)c1 1628850148 VWIXLBJUPSYOLJ-SECBINFHSA-N 455.033 2.010 30 10 JEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)CCN1CCN(C(=O)OC(C)(C)C)CC1 1633200388 NVODRZLZBGHQKB-SFHVURJKSA-N 452.596 2.304 30 10 JEEE COC(=O)c1ccc(N2CCC[C@H](C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)C2)c(C#N)n1 1639322566 CSMXNZKKMFTPHI-INIZCTEOSA-N 457.531 2.036 30 10 JEEE N#Cc1ccc(CN2CC[C@@H](NC(=O)[C@H]3CC(=O)N(Cc4ccccc4Cl)C3)C2=O)cc1 1639973489 BRYGKRRHOICXNL-PZJWPPBQSA-N 450.926 2.477 30 10 JEEE N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CCN(CC(=O)N2CCCCCC2)CC1 1659326593 DJLVJJGCZOQMPF-UHFFFAOYSA-N 458.506 2.286 30 10 JEEE CCOC(=O)[C@@H](NS(=O)(=O)N(CC)CCC#N)c1c(C)nn(-c2ccc(F)cc2)c1C 1662021262 HBPYSOCMZDWAKA-IBGZPJMESA-N 451.524 2.302 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CCO[C@H]1C(C)C)[C@H]1CCS(=O)(=O)C1 1689982078 HKERDZDVVDZWCA-CIEVZJJWSA-N 494.658 2.007 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1C[C@H](c1cccc(F)c1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1689993938 NZXBXXTYTMWJGY-NHCUHLMSSA-N 459.591 2.299 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1CCc1ccc2c(c1)OCCO2 1690056447 SSYCBSLISBVOSM-REWPJTCUSA-N 450.539 2.479 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCC1CCOCC1 1690100885 GNFXZRIRKPETJK-UHFFFAOYSA-N 450.543 2.095 30 10 JEEE C#CCSCCn1c(N2CCN(c3ccc(C)cc3)C(=O)C2)nnc1[C@@]1(OCC)CCOC1 1690186395 PACNYFLCXQAPDY-XMMPIXPASA-N 469.611 2.458 30 10 JEEE C=CC1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2Cc2ccn(C)n2)CC1 1690402611 IYDMJHYPTWZBID-UHFFFAOYSA-N 455.588 2.380 30 10 JEEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(CC(N)=O)CC1 1690474042 PIGCXGWOZWRTHC-UHFFFAOYSA-N 460.604 2.253 30 10 JEEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1CCCN1CCCO 1690517197 ZSWIRBMHLZFYGH-GOSISDBHSA-N 461.636 2.016 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1690660379 GICPRGKGLPXHSU-PKTZIBPZSA-N 465.646 2.338 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1690664450 TUKPUKGFLQDRHI-FQEVSTJZSA-N 476.585 2.207 30 10 JEEE C=CCOc1ccccc1Cn1c(CN2CCCC2=O)nnc1N1CCN(CC(C)C)C(=O)C1 1690683148 CGAKHXLSSIGWFF-UHFFFAOYSA-N 466.586 2.318 30 10 JEEE CC(C)NC(=O)c1nnc(N(C)C[C@@H](C)C#N)n1Cc1cccc(CN2CCO[C@H](C)C2)c1 1690993291 HXEGAROBYZXKCK-RBUKOAKNSA-N 453.591 2.281 30 10 JEEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[S@](=O)C(C)(C)C)CC1 1698096235 DCCRYLOKTRYBCA-XIFFEERXSA-N 474.631 2.044 30 10 JEEE C#CCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1705509436 IRGHMPHEKQNYJH-UHFFFAOYSA-N 474.525 2.477 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1CC[S@@](=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1705571228 WZCDEXQSONUHCP-PKHCJMHPSA-N 476.668 2.351 30 10 JEEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCC1CCN(CC(F)(F)F)CC1 1705604838 VBFJDYZNXDWHSV-HNNXBMFYSA-N 464.558 2.012 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCCNC(=O)C(C)C)CC1 1705633156 KYELVBIRYILSDJ-LJQANCHMSA-N 456.566 2.475 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CC(C)(C)OC)CC1 1705646265 VEQZBNBUMYFDCU-UHFFFAOYSA-N 453.543 2.107 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@](C)(c2ccccc2)C1 1705662210 SRWOLESGNFALDC-AVRDEDQJSA-N 460.625 2.299 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(F)ccc2Br)n1CCNS(C)(=O)=O 1705669675 SSBAZGUVXBHEJA-GOSISDBHSA-N 470.368 2.388 30 10 JEEE C=CCNC(=O)Cn1c(N2CC[C@H](N3CCCCC3)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705908064 GZWAKZUDCBSXFR-ZCNNSNEGSA-N 487.649 2.416 30 10 JEEE CCNC(=O)C(C)(C)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCO[C@H](C#N)C1 1710311447 CVBGEXUPTQAPNE-ZWKOTPCHSA-N 489.621 2.284 30 10 JEEE COc1cc(OC)cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCC(=O)N2CCCCC2)c1 1711702992 CTNMAURCJUAUJW-FQEVSTJZSA-N 454.531 2.094 30 10 JEEE COCC(C)(C)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCO[C@H](C#N)C1 1712125246 AFYGYIRYEAUOJH-JOCHJYFZSA-N 467.618 2.044 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2ccc[nH]2)n1CCC(=O)N1CCOCC1 1712442726 HGUDCWDPKCEHPS-UHFFFAOYSA-N 463.542 2.047 30 10 JEEE CS(=O)(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CSCCS2)CC1 1712705756 AGFAFAALFWLSCE-GOSISDBHSA-N 478.669 2.183 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccccc1CN1CCC[C@H]1CO 1722282421 YSYHHMIRPPWGFM-CHZKFRDHSA-N 467.614 2.393 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CC=CCC1)[C@H]1CCS(=O)(=O)C1 1722368147 ZCDAUINPUBNYES-JTAQYXEDSA-N 462.616 2.302 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3OCC)n2C[C@@H]2CCOC[C@H]2OC)CC1 1722441278 JREWONAXZXTJBU-NZQKXSOJSA-N 469.586 2.063 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(OC)cc3)n2CC2=CCCOC2)CC1 1722450392 GVQUWFNKNMSCHN-UHFFFAOYSA-N 465.554 2.178 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCN(C(=O)NCC)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1722501006 NVTFRXKIVXQWRU-MZLICYQSSA-N 476.622 2.151 30 10 JEEE C=C(C)COCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(CC)[C@@H](C)C1 1722531640 VOBXXOWNROPIKO-IBGZPJMESA-N 476.647 2.319 30 10 JEEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1722628490 XKATWABHCRVODD-QGZVFWFLSA-N 461.592 2.471 30 10 JEEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](CC)C1 1722682702 CUFVPJHJQIFFDI-JYJNAYRXSA-N 456.613 2.204 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@]2(O)CCN(C)C2)C1 1722722960 SYTFDNDJUXRFAN-YDIMBITNSA-N 476.622 2.198 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H]2CCC[C@@H]21 1722749663 IHAQYLIWLTZOPZ-APWZRJJASA-N 464.613 2.328 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H](C1CC1)N(C)Cc1ccccc1 1723932302 BFVCINGHWKZMLY-NYDSKATKSA-N 489.621 2.241 30 10 JEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1740582053 JYBBDHNLWWGMOX-UHFFFAOYSA-N 499.622 2.469 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCN(C)CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1740618240 FOSSXZJPHUHXKR-KRWDZBQOSA-N 485.532 2.075 30 10 JEEE C#CCN(CC)c1nnc(-c2ccc(OC)c(Br)c2)n1CCC[C@@H]1NC(=O)NC1=O 1740665717 NRWDSKMOMVKELB-HNNXBMFYSA-N 475.347 2.164 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC(=O)NCc2ccco2)CC1 1740701555 LLZHWZFRAKDAPN-UHFFFAOYSA-N 480.956 2.474 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2cc(OC)c(OC)c(OC)c2)CC1 1740705624 JTPTYNQLSLNYEC-HXUWFJFHSA-N 497.596 2.212 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CCc2ccc(OC)cc2)CC1 1740707140 QONUBRDYEZOXNH-UHFFFAOYSA-N 458.566 2.481 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(S(C)(=O)=O)CC1 1740754982 HSNXPOOCSXPDEP-LAUBAEHRSA-N 491.614 2.025 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)COC)CC1 1740759987 NFPKTXOTNWWKEP-CVDCTZTESA-N 457.550 2.284 30 10 JEEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2c(CC)nn(C)c2Cl)CC1 1740877040 XUKLXKBDTYOGDG-QGZVFWFLSA-N 496.081 2.418 30 10 JEEE C=CCN(c1nnc(C2CCN(c3ncccn3)CC2)n1CC(=O)NCC(F)(F)F)C1CC1 1740910359 MXNXNYJUFJIHSO-UHFFFAOYSA-N 464.496 2.285 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1CCN(C(C)=O)CC1 1740914862 MEOYGQAXDIGAJJ-GOSISDBHSA-N 499.641 2.211 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1740954550 OMKVMWZIYZYIIM-UHFFFAOYSA-N 451.531 2.034 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCN1CCCCCC1=O 1748663979 BUETYKRTDSSMBS-SFHVURJKSA-N 471.631 2.489 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CCC2(OC)CCC2)c1 1748691978 ANLICRVPKMHXFG-IBGZPJMESA-N 450.543 2.245 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CCN2CCC[C@H](C)C2)c1 1748692737 MWGPGMIHWNIWSD-RXVVDRJESA-N 463.586 2.017 30 10 JEEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C[C@@H](O)COc2ccccc2)CC1 1748750784 OVZDEFMWQRKLMI-FGZHOGPDSA-N 453.587 2.147 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCN(C)[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1748808112 ICDYKIATQRLBSO-YLJYHZDGSA-N 474.587 2.210 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H]1NC(=O)CC1(C)C)[C@@H]1CCS(=O)(=O)C1 1748808869 HHEHNYANKGQXMH-QAPCUYQASA-N 493.992 2.279 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1ccc(OCC)cc1)[C@H]1CCS(=O)(=O)C1 1748817364 JPCGEZIASPHORA-PMACEKPBSA-N 458.584 2.246 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(C)OCCc2sccc21 1748892450 OYWZRTCUISUHDT-VGSWGCGISA-N 458.609 2.193 30 10 JEEE C=C(Br)Cn1c(N2CCN([C@@H](C)C(=O)NCCCOC)CC2)nnc1C(C)(C)C 1749112853 QUFPBCXHUBKNLJ-INIZCTEOSA-N 471.444 2.147 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)CC 1749552865 CBPRFBCXIKBLKL-XLIONFOSSA-N 469.633 2.026 30 10 JEEE COCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1749606010 GJRMBGHWXGFURF-BWKNWUBXSA-N 466.586 2.347 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@](C)(C(=O)NC)C1 1749657660 DOOULEGAQLHQFJ-FQEVSTJZSA-N 479.354 2.111 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CCN1CCCCC1 1749806082 GXNHQTGMUBQNCI-NRFANRHFSA-N 451.575 2.240 30 10 JEEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCC(CC#N)CC2)n1CC1(O)CCS(=O)(=O)CC1 1750520534 GHCCMCMMDHULIZ-RTBURBONSA-N 479.647 2.266 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCS(=O)(=O)CC=C 1760113962 ZSXZHPRSLDWFBC-ZWKOTPCHSA-N 465.620 2.451 30 10 JEEE C#CCN(c1nnc(-c2ccc(Br)cc2)n1CCCCCO)[C@@H]1CCS(=O)(=O)C1 1760183707 QQLPCYDKJGAGOD-GOSISDBHSA-N 481.416 2.497 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1CCCOCC(C)C)[C@@H]1CCS(=O)(=O)C1 1760185591 ZVZMQEVNUXNNTG-LJQANCHMSA-N 474.583 2.363 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@H]1CCCCN1CC)[C@@H]1CCS(=O)(=O)C1 1760191041 ZREQGDFKIQLPEZ-WOJBJXKFSA-N 461.657 2.432 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1Cc1nc(C)cs1)[C@@H]1CCS(=O)(=O)C1 1760193041 RPRYFSYITRZIBY-MRXNPFEDSA-N 475.571 2.436 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2CCCO[C@H]2CCOC2)CC1 1760267491 NTDBURYCEZOOEQ-QFIPXVFZSA-N 467.570 2.115 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CC2(O)CCC2)CC1 1760271068 KNYYKIIYGGPBAA-UHFFFAOYSA-N 451.571 2.355 30 10 JEEE C=C(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 1760346847 JUWHDXCXUXUKRF-UHFFFAOYSA-N 465.595 2.461 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccn2C)n1C[C@@]1(O)CCS(=O)(=O)C1 1760477953 PKBQZAPUQLBULQ-QHCPKHFHSA-N 471.583 2.034 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCc2ccccc2)C1 1760543672 RAWFSRBAHQWMJP-NHCUHLMSSA-N 475.615 2.025 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H]1C 1760554803 NCFKYINQFFHHHN-IRXDYDNUSA-N 469.608 2.176 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2c[nH]c3ccccc23)nnc1N1C[C@H](C)O[C@@H](COC)C1 1760556829 REKUEPFKWAQFMZ-PKOBYXMFSA-N 473.599 2.191 30 10 JEEE CCO[C@@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2Cc2cc(OC)c(OC)c(OC)c2)CCOC1 1765878928 BSSUTSFDVXYRCO-GOTSBHOMSA-N 475.521 2.446 30 10 JEEE CCOc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)cc1OC 1767565659 BELGPUMXLWVSAR-SFHVURJKSA-N 459.572 2.376 30 10 JEEE CNC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2c(C)nn(C)c2C)C1 1769215774 FGNMYGXLVFAZNW-LJQANCHMSA-N 462.558 2.090 30 10 JEEE COCCN(CCC#N)c1nnc([C@@H]2CCOC2)n1Cc1ccc(-n2nc(C)cc2C)nc1 1769844855 DXACZYNPXVYCTD-HXUWFJFHSA-N 450.547 2.394 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)[C@@H](C)Oc3cccnc3NC(=O)N3CCNCC3)cc21 1858828771 BTPYLFCLSWPDOJ-MRXNPFEDSA-N 465.510 2.080 30 10 JEEE CC[C@](C)(NC(=O)c1ccc2c(c1)C(=O)N([C@@H](C)C(=O)O)C2=O)C(=O)N[C@H](C#N)c1ccc(C)cc1 1867498685 VJMUTQIPBUWGNU-CULFLVMASA-N 490.516 2.344 30 10 JEEE C=CCN(CC=C)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)c1cc(C)cc(S(N)(=O)=O)c1 1869032383 PDXSVPMJQQFQET-OAQYLSRUSA-N 459.543 2.323 30 10 JEEE C=CCn1cc(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c(=O)cc1CN1CCC(N(C)C)CC1 1870397679 OKKDNAXWTWPANW-UHFFFAOYSA-N 469.542 2.486 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)N=c2nc3nc(C)cc(C)n3[nH]2)cn1CCCC 1870429141 WEKHAURQLAUYSH-UHFFFAOYSA-N 479.585 2.316 30 10 JEEE CC(C)N1C(=O)CS[C@H](C(=O)N2CCC(N3CC[C@H](O)C3)CC2)[C@H]1c1ccc(C#N)cc1 1892014767 CBEDQXXANIGIDQ-WWNPGLIZSA-N 456.612 2.009 30 10 JEEE N#C[C@@H]1CN(S(=O)(=O)c2ccc(Br)c(CO)c2)CCN1Cc1ccccc1 2157780694 QYDQCECGYQQZRQ-QGZVFWFLSA-N 450.358 2.340 30 10 JEEE COC(=O)[C@H](CC(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)NC(=O)OC(C)(C)C 2185157665 FHDCWQZHHDOGMB-KRWDZBQOSA-N 462.352 2.058 30 10 JEEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](C)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 2222515828 NQDOCXZIQZTXLI-QQMNAOGKSA-N 453.580 2.417 30 10 JEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CCNc2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2241120749 GHYROBNWQRMIPN-INIZCTEOSA-N 481.424 2.217 30 10 JEEE Cc1cc(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 2255838606 IOWNWKGFVIOQII-LSDHHAIUSA-N 452.382 2.066 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCO[C@@H]1C(=O)NCc1sccc1B1OC(C)(C)C(C)(C)O1 2256621736 YNCRPFCMBOBJMO-HOCLYGCPSA-N 452.382 2.346 30 10 JEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NCC1(O)CC(NC(=O)OC(C)(C)C)C1 2267005349 LSSPZAIDTXWVKO-UHFFFAOYSA-N 450.341 2.035 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@](C)(CNC(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267010323 UEHZXMMZWPTOAW-QFIPXVFZSA-N 450.341 2.335 30 10 JEEE CC1(C)OB(c2cscc2S(=O)(=O)NCC2CCN(C(=O)C(F)(F)F)CC2)OC1(C)C 2267468399 KHVLTXICKIDWPO-UHFFFAOYSA-N 482.355 2.127 30 10 JEEE CC(C)(C)OC(=O)NC/C=C/CNS(=O)(=O)c1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2267708876 RXCAFSYRNVQXJW-CMDGGOBGSA-N 470.372 2.484 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H]1CNS(=O)(=O)c1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2267709596 FADZUKIXRIZEFQ-CQSZACIVSA-N 470.372 2.413 30 10 JEEE COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)O 2268633371 BXTCFFDWSHGTTD-GUYCJALGSA-N 450.341 2.207 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@@H]1CC(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2268651567 PCCGAKPPECOGAU-AWEZNQCLSA-N 467.397 2.085 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@]1(C)C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2268702603 VXLYDVZSONPUAY-OAQYLSRUSA-N 467.397 2.085 30 10 JEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](CNCc2occc2B2OC(C)(C)C(C)(C)O2)[C@H]1OC 2279461226 OHHLKJAOPSIDOJ-BHIYHBOVSA-N 466.384 2.318 30 10 JEEE Cn1cc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)CC2(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2281972807 OJBTUYQCRGQCJQ-INIZCTEOSA-N 462.400 2.485 30 10 JEEE CCc1nn(C)c(C(=O)N[C@@]23C[C@H]2CN(Cc2ccccc2)C3)c1B1OC(C)(C)C(C)(C)O1 2281987082 XHTKFWNGQWRODG-AVRWGWEMSA-N 450.392 2.286 30 10 JEEE CCc1nc(C(=O)NCc2c[nH][nH]c2=NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2282021237 JRUMNPQHTPYFBO-UHFFFAOYSA-N 477.396 2.427 30 10 JEEE C[C@H]1CN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C[C@@H]1CCNC(=O)OC(C)(C)C 2282029527 TVHNLDDZWZRYFK-HOTGVXAUSA-N 460.384 2.399 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC([C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 2282052203 LTKHXPWDSHZCIW-OAHLLOKOSA-N 460.384 2.048 30 10 JEEE C[C@H]1C[C@H](NC(=O)C(F)(F)F)CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2282342617 JUQSCLDKJOFRIQ-ZFWWWQNUSA-N 476.326 2.063 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1CCCCN1S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282345807 JRAOVXQBEJWFAB-KRWDZBQOSA-N 481.424 2.449 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2F)[C@@H](O)C1 2282409263 JODVCMIQSSFIEJ-ROUUACIJSA-N 464.343 2.225 30 10 JEEE CCn1cc(C(=O)N2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)nc1B1OC(C)(C)C(C)(C)O1 2282528596 UUCJVTHYCUBOAZ-DOTOQJQBSA-N 460.384 2.284 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@@H](C(C)(C)NC(=O)OC(C)(C)C)C2)n1 2282539450 UJZOIDLUGFNTTL-OAHLLOKOSA-N 462.400 2.485 30 10 JEEE Cn1cc(C(=O)N2[C@H]3CC[C@H]2[C@@H](CNC(=O)OC(C)(C)C)C3)nc1B1OC(C)(C)C(C)(C)O1 2282548498 XXHRBKQDSSIVGA-VYDXJSESSA-N 460.384 2.237 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1[C@H]2C[C@@H]2CN1C(=O)OC(C)(C)C 2282600144 VTSGKMCIBDVDLP-OWCLPIDISA-N 460.384 2.013 30 10 JEEE CC(C)[C@H](C)[C@H](CNC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2282611608 NIOHUKFZVCQDER-GJZGRUSLSA-N 465.404 2.030 30 10 JEEE CC(C)(C)OC(=O)NCC12CC(CNC(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)o3)(CO1)C2 2282626710 IUNUIKKHNIXMTL-UHFFFAOYSA-N 462.352 2.383 30 10 JEEE CC(C)(C)OC(=O)NCCOCCOCCC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2284069851 YCXRCVMLYUXNKC-UHFFFAOYSA-N 485.412 2.329 30 10 JEEE CC1(C)OB(c2csc(S(=O)(=O)N3CC(COCc4ccccc4)(C(=O)O)C3)c2)OC1(C)C 2284395756 PCYCWVAPPWZIEH-UHFFFAOYSA-N 493.412 2.339 30 10 JEEE C[C@H](OCc1ccccc1)[C@H](NS(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284411709 NQTIHHQCNASXDU-JXFKEZNVSA-N 475.372 2.323 30 10 JEEE COc1ccc(C(O)=C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 2296136173 SHTGIWOOTPTZGJ-OAQYLSRUSA-N 467.478 2.357 30 10 JEEE Cc1scc(C(=O)NC2(CO)CN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2320458039 YNLASQQCKUOPGB-UHFFFAOYSA-N 452.382 2.067 30 10 JEEE Cn1nc(C(=O)N[C@@H](CCO)COCc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2343509702 UIXXUNCZUAQUIS-INIZCTEOSA-N 463.771 2.070 30 10 JEEE CC1(C)OB(c2ccccc2S(=O)(=O)N[C@@H](CCO)COCc2ccccc2)OC1(C)C 2343585995 XEJAJQWFEYBTNF-IBGZPJMESA-N 461.389 2.232 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1C[C@H]2CC[C@H]1N2C(=O)OC(C)(C)C 2362464098 CYPFMWUOAHRMHN-ARFHVFGLSA-N 460.384 2.237 30 10 JEEE N#Cc1c(N2C(=O)[C@@H]3[C@H](CCC(=O)O)N[C@@]4(C(=O)Nc5ccccc54)[C@H]3C2=O)sc2c1CCCC2 8602253 HQXWOTGBDHTKKO-UOMSLYCOSA-N 490.541 2.288 30 10 JEEE C=CCN(CC(=O)N1CCN(c2ccc(-c3ccc(OC)c(OC)c3)nn2)CC1)C(=O)NC(C)C 36073015 FKTMPRKTTAPUHW-UHFFFAOYSA-N 482.585 2.415 30 10 JEEE Cc1cc(C)c(N/N=C2/C(=O)C(S(=O)(=O)O)=Cc3cc(S(=O)(=O)O)ccc32)cc1C 136697948 FILOFYWCCFQVKI-DYTRJAOYSA-N 450.494 2.486 30 10 JEEE C=CCN(C(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1)c1nc(C(=O)OCC)cs1 501953236 XNTHNELKDYLCLQ-UHFFFAOYSA-N 485.609 2.164 30 10 JEEE CCc1cccc(OC[C@@H](O)Cn2c(NN=Cc3ccccc3)nc3c2c(O)nc(=O)n3C)c1 606629748 FECZHDUWFGTQKD-SFHVURJKSA-N 462.510 2.284 30 10 JEEE C#CCN(C(=O)c1ccc(S(=O)(=O)N(CC)c2ccccc2)cc1)[C@@H]1CCS(=O)(=O)C1 729330942 IQONCRRJATWBAP-HXUWFJFHSA-N 460.577 2.164 30 10 JEEE N#CC(C(=O)N1CCCC1)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccc(Cl)cc1 729668265 DXOJWKJYYJCRMU-UHFFFAOYSA-N 475.961 2.326 30 10 JEEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccc2ccccc2c1 729669342 LMORHVYRFRVNLB-UHFFFAOYSA-N 477.549 2.482 30 10 JEEE C=CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)c2ccc3c(c2)CCN3C(=O)CC)cc1 918970067 PBAIRTJLRPJJIR-UHFFFAOYSA-N 456.520 2.490 30 10 JEEE COC(=O)c1ccc(C=NNc2nnc(SCCC(=O)Nc3ccccc3[N+](=O)[O-])n2N)cc1 1084585232 AKTAHAQFUCSUCS-UHFFFAOYSA-N 484.498 2.254 30 10 JEEE Cc1nn(CCO)c(C)c1C=NNc1nc(SCC(=O)NC2C3CC4CC(C3)CC2C4)n[nH]1 1084594869 OSLDZJSCTYZMGN-UHFFFAOYSA-N 472.619 2.089 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 1128538352 MGRRBSGNKUCGDJ-UWJYYQICSA-N 452.573 2.202 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1ccnc(SC)c1)[C@H]1CCS(=O)(=O)C1 1286391976 KKVKKODUFHVTED-IBGZPJMESA-N 468.608 2.056 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CCc1nccs1)[C@@H]1CCS(=O)(=O)C1 1286392105 ASAFSWNRQFBXOH-GOSISDBHSA-N 471.608 2.491 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@H]1CCN(CCC)C1)[C@@H]1CCS(=O)(=O)C1 1286396126 VKVHOFYJRLGSGM-PZJWPPBQSA-N 473.618 2.367 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2CCNC(=O)c2cccs2)CC1 1286478679 JLXPHXBGFMPRIL-UHFFFAOYSA-N 452.559 2.255 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC(=O)N[C@@H](C)CC)CC1 1286486398 DVNCLMQSFSIUNL-KRWDZBQOSA-N 481.557 2.124 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2CCC(=O)N2CCCCC2)CC1 1286489329 OIUILISYKAGRCU-UHFFFAOYSA-N 466.561 2.453 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@@H](NC(=O)OC(C)(C)C)C(C)C)CC1 1286491799 BTYKKNOIKXXYFP-LJQANCHMSA-N 476.622 2.330 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1286554571 YMHGZCCNXHLNCX-ICSRJNTNSA-N 470.574 2.001 30 10 JEEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1286615087 FWJSVJQUPJKTMC-UFYCRDLUSA-N 450.580 2.369 30 10 JEEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H]1CCN(Cc2ccccc2)C1 1286621098 ZTXUAUOIEKDZCJ-FUHWJXTLSA-N 453.012 2.352 30 10 JEEE C=CCC(C)(C)Cn1c(N2CCC[C@H](n3cnc(C(N)=O)n3)C2)nnc1[C@@]1(OCC)CCOC1 1286675980 FNCJHCUVSWRAOD-GAJHUEQPSA-N 472.594 2.064 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1286781243 PRPFSUMRXHTYEW-QUCCMNQESA-N 451.575 2.122 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1286795458 BOCVCGIPUZIAAP-LJQANCHMSA-N 467.574 2.070 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@H](Cn2c(CN3CCCC3=O)nnc2N2CC[C@@](F)(C#N)C2)C1 1287051517 CYLLHHZPLYCNHY-GAJHUEQPSA-N 475.569 2.490 30 10 JEEE Cn1nncc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 1298910923 DCUWUZDSHBKCPS-GOSISDBHSA-N 463.546 2.487 30 10 JEEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1CC1(N2CCCC2)CCOCC1 1298968693 AVHCOOOTNPDTRR-LJQANCHMSA-N 465.602 2.280 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1(C(=O)N(C)C)CCCC1 1300298415 CABFCQPJEKPEAJ-KRWDZBQOSA-N 471.631 2.345 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCN1CCC(O)CC1 1300329679 RODPUMHRERWDHF-GBESFXJTSA-N 460.623 2.354 30 10 JEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](OCc2cccc(OC)c2)C1 1300409342 HTGSBLFFQLNEKP-TZIWHRDSSA-N 458.584 2.398 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@](C)(O)CCC)[C@@H]1CCS(=O)(=O)C1 1300499854 YLUYYUOGKJBZAP-AUSIDOKSSA-N 460.600 2.055 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@H]1CCN(S(C)(=O)=O)C1 1300513561 YXVYUESDWSIJNI-RTWAWAEBSA-N 469.611 2.389 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(COC)CCC1 1300671321 HOFJEKLCKRGKHG-IBGZPJMESA-N 477.606 2.489 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2cccnc2OCCOC)CC1 1300688154 BQJHESHQOXRMRV-UHFFFAOYSA-N 477.525 2.077 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCN2CCCC[C@H]2CC)CC1 1300708649 XEAZQKHXKSYXGO-HXUWFJFHSA-N 469.659 2.289 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2Cc2ccc(N(C)C)nc2)CC1 1300732229 ZPEZBDRVPJARDY-UHFFFAOYSA-N 491.571 2.471 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2OC)nnc1N1CCN(S(C)(=O)=O)CC1 1300879482 DPCDATJOSOOJTO-PXNSSMCTSA-N 461.588 2.017 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](C)N2CCN(c3ccccc3)CC2)C1 1301536690 YWZLCIMMLSZEHY-JTHBVZDNSA-N 481.645 2.408 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(C)cc3)n2CC2(C(N)=O)CCOCC2)C1 1301566051 MBWXCTPVDFYSCB-FQEVSTJZSA-N 455.559 2.229 30 10 JEEE C[C@]1(C#N)CCCN(c2nnc(-c3cnccn3)n2C[C@H](N2CCOCC2)C(F)(F)F)C1 1303932984 DMVIMHIZZKVZOK-QFBILLFUSA-N 450.469 2.128 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCSc1ccccc1 1358891007 YGVOSGFYOCYJAL-PKOBYXMFSA-N 463.629 2.251 30 10 JEEE C#CCN(c1nnc(-c2ccccc2F)n1CCn1cc(Cl)cn1)[C@H]1CCS(=O)(=O)C1 1358960226 ZXAVNHFWHGDTDD-INIZCTEOSA-N 462.938 2.261 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1CC[C@@H](C)N(C)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1358961368 XLURMDDMVFJOLY-IFMALSPDSA-N 493.637 2.272 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1CCc1ccccn1)[C@H]1CCS(=O)(=O)C1 1358967903 VIHVFKYPJDLVLP-IBGZPJMESA-N 469.542 2.261 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ncccc1N(C)C 1358987736 QIZDKLOUTBLCPA-UHFFFAOYSA-N 491.621 2.168 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCCO[C@H]2C(C)C)CC1 1359038078 JTXHXUJBPXIXPT-KNQAVFIVSA-N 470.643 2.476 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cn4ccccc4n3)n2C[C@@H](OC)C(C)C)CC1 1359046477 SWJXXRVFRVVCTG-OAQYLSRUSA-N 463.586 2.153 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1359048375 OJZGPXOJJZCHEK-SFHVURJKSA-N 454.556 2.154 30 10 JEEE C=CC[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](C)(C(N)=O)C1)c1ccccc1 1359195605 PBPDUQTWPQMPIM-PWHSHALESA-N 457.600 2.242 30 10 JEEE C=CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1359286233 ABYOJHLEXQKIJV-AWEZNQCLSA-N 457.526 2.497 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1359295340 YGLDBMBMJUFYLR-UHFFFAOYSA-N 479.585 2.065 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 1359304889 MQCREQRJIAJFOE-UHFFFAOYSA-N 484.492 2.245 30 10 JEEE C=C(CO)C(=O)Nc1ccc(N2CCOCC2)c(S(=O)(=O)Nc2ccccc2Cl)c1 1440473003 UDCHGFAXBAESOD-UHFFFAOYSA-N 451.932 2.464 30 10 JEEE C#CCCN1CCC(NC(=O)c2ccc(Cl)c(S(=O)(=O)NC[C@H]3CCCO3)c2)CC1 1465396909 UBONPWPMVQKQJX-GOSISDBHSA-N 453.992 2.015 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1CCCNS(=O)(=O)CC 1507518427 BANHVMODDLSKRJ-CQSZACIVSA-N 454.394 2.495 30 10 JEEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCn1cc(Cl)cn1 1507621043 OAZJJVPCEPKOIQ-UHFFFAOYSA-N 452.994 2.262 30 10 JEEE C#CCN(c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC(=O)NCC=C)[C@@H]1CCS(=O)(=O)C1 1507630097 ZKSJFYDMJKTJFZ-HXUWFJFHSA-N 469.611 2.172 30 10 JEEE C#CCN(c1nnc(CCCc2ccccc2)n1Cc1snnc1C)[C@@H]1CCS(=O)(=O)C1 1507639574 LCEFRMPYEGZESH-LJQANCHMSA-N 470.624 2.288 30 10 JEEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1CC1(N2CCC(OC)CC2)CCCC1 1507641915 MNJJEFSKMNPXJU-SANMLTNESA-N 469.630 2.427 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2CCC[C@@H]2OC)CC1 1507734073 GQTVSXZQMNPBBO-IRLDBZIGSA-N 499.637 2.130 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCN2CCCC(C)(C)C2)CC1 1507740226 YQDGXCZVBYDUCZ-OAQYLSRUSA-N 456.635 2.260 30 10 JEEE C=C(C)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCC(C(=O)NCCCOC)CC1 1507832482 IGXKMGHXMQYGPC-UHFFFAOYSA-N 451.575 2.462 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc(-c2cnn(C)c2)n1CC1(C(N)=O)CCOCC1 1508004597 IHNDBZHOUDPGRH-UHFFFAOYSA-N 453.522 2.292 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccccn2)n1C[C@@]1(O)CCS(=O)(=O)C1 1508007657 FAQKSOHQFHWIHW-QHCPKHFHSA-N 471.558 2.145 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(F)(F)F 1508008194 LLMFKZSFTQQDSZ-CQSZACIVSA-N 465.523 2.427 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c(-c2cnccn2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1)C(C)C 1508012065 BAUUEQISLSIJIF-NNWRFLSQSA-N 464.618 2.491 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCCN(C(C)=O)CC1 1508076592 HRFNEZXESMSEIV-UHFFFAOYSA-N 478.553 2.478 30 10 JEEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 1508076795 VZLCCYFQYRPUMS-UHFFFAOYSA-N 450.503 2.150 30 10 JEEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN(Cc2nc(O)c3ccccc3n2)CC1 1508091149 LVHKAPHXLCEDRK-UHFFFAOYSA-N 478.601 2.140 30 10 JEEE CC[C@H](C)[C@H](Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCO[C@@H](C#N)C1)OC 1512752218 FTLNPYPTIUFVEJ-ZWOKBUDYSA-N 465.558 2.465 30 10 JEEE C#CCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1539051919 JIAKGTAUQGVSAC-UHFFFAOYSA-N 460.560 2.422 30 10 JEEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 1539086004 WKVQPRPLTBCLEP-IBGZPJMESA-N 453.522 2.467 30 10 JEEE C#CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1CCCN1CCCO 1539175765 ASFITJLIGVCZCD-UXHICEINSA-N 460.623 2.309 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@H]2NC(=O)CC2(C)C)CC1 1539461263 BZDQJOFHKSKYTB-OAQYLSRUSA-N 450.587 2.144 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CCN2CCCC2)CC1 1539474547 SQIPWYLBJBEPLG-UHFFFAOYSA-N 480.613 2.414 30 10 JEEE C#CCSCCn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1539504461 HJSLWRFBPWRMDQ-IBGZPJMESA-N 464.599 2.406 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C1CCC(NC(C)=O)CC1 1539633635 ZYOSQZSVGKHKTI-XCJHPPCASA-N 479.647 2.045 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccccc2OCC)nnc1N1CCS(=O)(=O)CC1 1539642977 SUXBMZFYJNRYSK-PGRDOPGGSA-N 476.599 2.472 30 10 JEEE C=C(C)COCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1539736194 ZEJSCMZYPQLCQV-UHFFFAOYSA-N 472.553 2.230 30 10 JEEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1539985706 OCRPIBFNBQBHRO-GOSISDBHSA-N 486.642 2.104 30 10 JEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](CC)[C@@H]2CN(Cc3ccccc3)CCO2)c1 1545373017 ULZJZZSEUVKTHS-PKTZIBPZSA-N 455.580 2.008 30 10 JEEE COc1ccncc1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(C(C)=O)CC1 1555124236 IBNYDWLEWSWDAY-UHFFFAOYSA-N 461.526 2.239 30 10 JEEE C#CCOc1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(C(C)C)cc2)cc1 1556660600 UKCGGLRLPUIPEV-OFNKIYASSA-N 456.564 2.262 30 10 JEEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 1587909685 QNBIIZYFPDNSOO-SVFBPWRDSA-N 458.632 2.258 30 10 JEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCNC(=O)Cc1cccc(F)c1 1587922304 YKMFPPIXVXMDQW-UHFFFAOYSA-N 497.600 2.114 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1CCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1588040933 SEGDORKKFQIGOM-SFHVURJKSA-N 489.001 2.439 30 10 JEEE C#CCN(c1nnc(CC)n1Cc1ccc(C(=O)N2CCCCC2)cc1)[C@H]1CCS(=O)(=O)C1 1588058832 DFCROIAQFXMCGL-NRFANRHFSA-N 469.611 2.142 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCc2ccccc2F)CC1 1588968291 HHZQEYLJXIBCDJ-UNMCSNQZSA-N 469.561 2.350 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2C)CC1 1589070812 YACNYXDGPWZMJE-IBGZPJMESA-N 459.641 2.182 30 10 JEEE C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1593809110 XCPMGGHLNKEQKE-QGZVFWFLSA-N 487.008 2.247 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)Cc1cnn(C)c1 1595543834 AIDIJXGMZQSRFL-GOSISDBHSA-N 472.594 2.065 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCSC[C@@H]1C 1595658721 JEANNJIHHPQGSC-PXNSSMCTSA-N 493.655 2.166 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCCS2(=O)=O)C1 1595745495 RZRZAVCCPBNWAB-RTWAWAEBSA-N 471.583 2.477 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCN(C)C(=O)[C@@H]1C 1595772618 FIROJUTUDHUBPG-HNNXBMFYSA-N 496.431 2.284 30 10 JEEE CCNC(=O)C(C)(C)Cn1c(C2CCCC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1615910828 GKEQZAJCIJZULG-KRWDZBQOSA-N 465.606 2.475 30 10 JEEE CCCNC(=O)OC[C@@H]1CCCCN1C(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 1636013354 CXORDVCIUYZUIL-HOTGVXAUSA-N 450.561 2.021 30 10 JEEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2cc(C(F)(F)F)cc3c2OCC(=O)N3)c1 1638425709 XRBFOUHZDDGLMH-UHFFFAOYSA-N 453.398 2.200 30 10 JEEE CCN(C[C@@H](C)C#N)S(=O)(=O)N1C[C@@H](C(=O)OC)[C@H](c2ccc(Br)cc2)C1 1663994284 BMWPTEZKZGIRET-RRQGHBQHSA-N 458.378 2.364 30 10 JEEE C#C[C@@H](NC(=O)NC1CCN(C(=O)CCCN(C)C(=O)OC(C)(C)C)CC1)[C@@H]1CCCO1 1681816711 XQZXSJRLMRXULM-MOPGFXCFSA-N 450.580 2.105 30 10 JEEE N#Cc1ccc(CNC(=O)N2CCN(S(=O)(=O)c3c[nH]c4ncccc34)CC2)cc1Cl 1681993213 DMSAHOJOAFBDMA-UHFFFAOYSA-N 458.931 2.304 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)N1CCOCC1 1690090100 WJVLVXWPKLYDFB-FQEVSTJZSA-N 454.550 2.119 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC2CCN(C(C)=O)CC2)CC1 1690154536 QPABRVDHNCAHKH-DHIUTWEWSA-N 498.672 2.421 30 10 JEEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCC(NC(=O)C(C)C)CC1 1690183419 YASUGSOQEWAMBA-UHFFFAOYSA-N 474.656 2.377 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCC(Nc2cccnn2)CC1 1690720955 VWMADAYJTABQSJ-UHFFFAOYSA-N 453.572 2.417 30 10 JEEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1690749776 PHYAJVCDMCWGKL-UHFFFAOYSA-N 486.690 2.193 30 10 JEEE CC[C@H](C)[C@@](C)(O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C#N)C1 1693928032 FYGNOFLSEAKEMQ-VPKVUBIPSA-N 460.966 2.387 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCOC2)n1CC1(C(N)=O)CCCC1 1698048999 FLCXILLQEGWIBY-HXUWFJFHSA-N 452.559 2.352 30 10 JEEE N#CCC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCN(CC(F)(F)F)C2)CC1 1698491470 COEHTVCFABYDQQ-IRXDYDNUSA-N 474.553 2.194 30 10 JEEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@H]1CN(CC(C)C)CCO1 1705549663 DNKKFIUEJDBJPJ-FQEVSTJZSA-N 477.613 2.491 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1C[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1705559509 BSPPXAYEMWLYPH-SLFFLAALSA-N 488.610 2.480 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccc(Br)cc2)n1CC[C@@H]1COCCO1 1705585431 DMIBRBDXGOJDSO-LJQANCHMSA-N 459.344 2.498 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(Cl)c(OC)c(OC)c1 1705589360 POVKIMLNCLBWNR-OAHLLOKOSA-N 479.990 2.070 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCCn2ccnn2)CC1 1705646112 RMALCZMCGFPWBU-UHFFFAOYSA-N 470.940 2.385 30 10 JEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC(Oc2cncc(Cl)n2)CC1 1705664525 RMSCMFWHIBDEIO-UHFFFAOYSA-N 476.006 2.258 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1705706571 WXTPOXOOFNKDQH-ZVDOUQERSA-N 462.620 2.134 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccnc(SC)c2)CC1 1705782058 NMNVYZAINMEQRC-GOSISDBHSA-N 478.644 2.179 30 10 JEEE C=CCN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1705846697 PFEZXNGMMPOUEV-IRXDYDNUSA-N 472.594 2.238 30 10 JEEE C=CCN(CCc1ccco1)c1nnc(C(=O)Nc2ccccn2)n1C[C@]1(O)CCO[C@H]1C 1705878636 VUVCYSGSOZJUIO-GAJHUEQPSA-N 452.515 2.293 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccnc3)n2Cc2cccc(S(=O)(=O)NC)c2)C1 1705919218 ZHQNOMZATFGPFZ-LJQANCHMSA-N 454.556 2.078 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCC(CN(C)C(C)C)CC1 1705934607 QZAYBVJZBCFZQV-UHFFFAOYSA-N 492.646 2.163 30 10 JEEE CC1CCN(c2ccc(Cn3c([C@H](C)NS(C)(=O)=O)nnc3N3CCC(C#N)CC3)cn2)CC1 1708103685 BRNIGYOHMKALIW-SFHVURJKSA-N 486.646 2.308 30 10 JEEE CCOCc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CC1CCS(=O)(=O)CC1 1710723824 DXMQEMHXFPLDOE-UHFFFAOYSA-N 486.642 2.223 30 10 JEEE CO[C@@H]1CCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1712041917 GZCBMJFBYMDTHE-FGZHOGPDSA-N 465.602 2.278 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1CCc1ccccn1)[C@@H]1CCS(=O)(=O)C1 1722361067 KTXSXVRGQYSFEV-LJQANCHMSA-N 451.552 2.218 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1ccco1 1722421212 KSTNWAJLKXSNRB-WZONZLPQSA-N 472.542 2.460 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2nc(C)c(C)s2)CC1 1722443961 RJAYQBGMSXYCEY-DEOSSOPVSA-N 486.642 2.406 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(N(C)C(=O)OCC)CC1 1722493819 KDAKEMBYURQAMK-IEBWSBKVSA-N 462.595 2.455 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1722509311 XAIXQOMFLZBLLD-OFNKIYASSA-N 482.633 2.097 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)c(COC)c1 1722517832 ODGVNOTUCSKXKA-HXUWFJFHSA-N 481.594 2.347 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1722581537 DOBQPAQLZMJKKR-IAGOWNOFSA-N 454.641 2.232 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2csc(C)n2)n1C[C@@]1(O)CCS(=O)(=O)C1 1722656492 CRZHRQAUEGVEGS-QHCPKHFHSA-N 498.634 2.248 30 10 JEEE C=CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CC[C@@]2(CCOC2)O1 1722678924 HXJWHGDPKBNIOO-XXBNENTESA-N 476.599 2.326 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@H]1CCCCS1(=O)=O 1722681654 PHMQQVDCJXIGIT-FXAWDEMLSA-N 462.572 2.397 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1722691495 QUYVPOZYHPZXTE-QGZVFWFLSA-N 498.588 2.063 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1722696102 BEOQRUICCSIXKV-INIZCTEOSA-N 470.375 2.186 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCCC[C@@H](COC)C1 1722727502 MENHRYPZANEENI-QGZVFWFLSA-N 486.598 2.448 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]1Cc1cccs1 1722727617 KCGDWJJOFXSLLR-SJORKVTESA-N 484.669 2.054 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1722729794 XLIVGYDLINDUPA-DEOSSOPVSA-N 490.626 2.253 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1722730111 IXVDJORUVTUXDO-QIDMFYOTSA-N 460.600 2.364 30 10 JEEE C#CCCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1740572897 BFPQQSCSNYFUAE-UHFFFAOYSA-N 468.989 2.253 30 10 JEEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1740583230 NAVOYJBSRFIMQT-KRWDZBQOSA-N 495.447 2.464 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](OC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1740619809 LKGLKDVHEFFLBK-IAGOWNOFSA-N 451.980 2.291 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1nc(C)c(C)s1)[C@@H]1CCS(=O)(=O)C1 1740623152 PEROLVISTHFFCA-QGZVFWFLSA-N 456.597 2.397 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@H]1CCCCN1CC)[C@@H]1CCS(=O)(=O)C1 1740625668 PBBNZHKFLSZYCN-FGZHOGPDSA-N 485.654 2.379 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@H]1CSCCS1)[C@@H]1CCS(=O)(=O)C1 1740626279 WLMXZHWWPIPZCC-SJORKVTESA-N 468.695 2.406 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2C[C@H]2CN(CC(C)C)CCO2)CC1 1740703996 ICARAXPVRWGNAH-HSZRJFAPSA-N 464.614 2.268 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CCCC)CC1 1740704394 NMWDVEYRDIVXNP-UHFFFAOYSA-N 457.604 2.004 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@](C)(O)[C@H](C)CC)CC1 1740708069 AQLRPKGIRWFWCH-OSPHWJPCSA-N 486.642 2.033 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCOC2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1740762006 QMWMTJXNFCAFQG-BJLQDIEVSA-N 467.636 2.014 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)C 1740916040 BHOHRPJLYUHKJU-FQEVSTJZSA-N 458.588 2.331 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@@](C)(CC)C1 1740951211 DAVYFWURAIGHTO-QFIPXVFZSA-N 460.966 2.169 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C)C(=O)[C@@H]1C 1740971572 ZMKFLKZOMWXOFF-CUWPLCDZSA-N 455.559 2.282 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1[C@H]1C[C@H](c2ccccc2F)C1 1741131905 HVCJSHHTUXGBTG-WOCWXWTJSA-N 476.578 2.465 30 10 JEEE CC1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H](CNS(C)(=O)=O)C2)CCOCC1 1742010637 CGRLSZFLEJOGDX-IBGZPJMESA-N 472.615 2.399 30 10 JEEE CC[C@@H](C)[C@](C)(O)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2ccccc2C#N)CC1 1743504278 CZLGGKCWMYJGQL-KBMIEXCESA-N 465.602 2.396 30 10 JEEE CCNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1746479486 AGNABPPIBJLUMB-OSPHWJPCSA-N 452.559 2.363 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@]1(N(C)C)CCSC1 1748666173 ZOESNWSDBFEVRZ-IERDGZPVSA-N 461.661 2.133 30 10 JEEE COc1ccc(CCc2nnc(N3CCC(CC#N)CC3)n2CCN2CCCS2(=O)=O)cc1 1748711091 ATTPDPXLBXZYDA-UHFFFAOYSA-N 472.615 2.237 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@H](C)Oc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1748801860 IDCJYKWLSPADBJ-RBUKOAKNSA-N 494.577 2.020 30 10 JEEE C#CCN(c1nnc(C2CCCC2)n1CCCOC[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1748814258 BXBINDUNJANLDT-ICSRJNTNSA-N 450.605 2.006 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1CCc1ccc(NC(C)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1748821001 LDJITVFKOQCHFQ-OAQYLSRUSA-N 455.584 2.058 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@](C)(O)c1cccs1 1748876906 YHPZUDQITAYYBX-QHCPKHFHSA-N 458.551 2.353 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H](C)N2CCN(CC)CC2)CC1 1748977954 GEWVECCSZVLEJY-HXUWFJFHSA-N 456.038 2.380 30 10 JEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2cc(F)ccc2OC)CC1 1749226569 SQQSMCBSIBCAKS-HXUWFJFHSA-N 472.565 2.292 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1749376802 FHLWEICCUCFAJR-UYAOXDASSA-N 485.637 2.134 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1749655038 BCCQFSGKDAHZLS-IAGOWNOFSA-N 491.365 2.396 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1749660962 XCHFOWZRKDQSJA-QUCCMNQESA-N 491.596 2.163 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCc2c(Cl)cccc2C1 1749721107 AFSSIRMZILPVIH-UHFFFAOYSA-N 451.980 2.233 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1CC[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1760181026 OMCVYFAVOQHYGC-HKUYNNGSSA-N 474.583 2.016 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CC1CCS(=O)(=O)CC1)[C@H]1CCS(=O)(=O)C1 1760182416 FQEGPBOJOIMHNZ-IBGZPJMESA-N 497.042 2.050 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCCN1CC)[C@@H]1CCS(=O)(=O)C1 1760183291 NZPTWXNWXNVCJV-FGZHOGPDSA-N 466.611 2.318 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CC12CCC(CC1)C2)[C@H]1CCS(=O)(=O)C1 1760183866 USNFZIIALVTCRY-YZOUICBYSA-N 461.632 2.404 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H](C)N(C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1760187180 IPCHXMXDAMDTQK-TUNNFDKTSA-N 471.627 2.324 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1cccnc1OCCC)[C@H]1CCS(=O)(=O)C1 1760189136 OADOTQQVMIIGMP-FQEVSTJZSA-N 466.567 2.199 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@H](C)N1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1760190870 VNDWXRHKQWIMGY-RBBKRZOGSA-N 470.643 2.011 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCSC1 1760245235 WRAPUPKNRHKKOR-KRWDZBQOSA-N 463.629 2.035 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1(C(N)=O)CCCC1 1760253986 ZZGKYGSGCCXMPN-SFHVURJKSA-N 474.606 2.482 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC(C)(C)N2C[C@@H](C)C[C@H](C)C2)CC1 1760257190 QRUQQXUYNGSDEV-MCEYFSPLSA-N 472.678 2.442 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2CCc2cccs2)CC1 1760264732 CVZATMYYGXPOFY-UHFFFAOYSA-N 456.616 2.467 30 10 JEEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1760287551 WYCVBDAPHWHYEB-DYXWJJEUSA-N 463.648 2.058 30 10 JEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1csc(Br)c1 1760510047 CWZFCVUXJUKIRV-CYBMUJFWSA-N 476.422 2.257 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@@H]1C[C@@H](OCC)C12CCC2 1760517216 GPKCGZUNFSCURF-WOJBJXKFSA-N 487.626 2.435 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H](C)[C@H]1CC 1760517463 MWVZRBZJEYFGHW-QFBILLFUSA-N 460.604 2.122 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1760520200 FZDMTWSVFHUIRR-HNNXBMFYSA-N 452.481 2.329 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 1760525125 VFFBOQCZKYDZOV-KRWDZBQOSA-N 468.583 2.167 30 10 JEEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CC1(N2CCCC2)CCOCC1 1761444255 DTWPAOMNQAOJIU-LJQANCHMSA-N 486.642 2.331 30 10 JEEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(CC(C)(C)C)n1CC1(S(C)(=O)=O)CCC1 1763043563 FUNBFHUUUYXHBS-QGZVFWFLSA-N 486.646 2.211 30 10 JEEE CCCC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)C(C)C)C1 1765376176 BZZMHUYIZHAIGW-FQEVSTJZSA-N 451.575 2.474 30 10 JEEE CCCCn1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@H](C(N)=O)C2)c(C)n1 1765811886 GOWQHRTXMKZPMZ-LJQANCHMSA-N 462.558 2.394 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCOC2)n1CCN1CCOC[C@H]1C 1769818693 CDRBEEAULRQJSD-DENIHFKCSA-N 454.575 2.027 30 10 JEEE CC1(C)[C@@H](O)CC[C@]2(C)C3=C([C@@H](O)C[C@H]12)[C@]1(C)C(=O)C[C@H]([C@@]2(C)CCC(=O)O2)[C@@]1(C)[C@H](O)C3=O 1775964513 OCCKLFZPYIWUFJ-HTGWOZTFSA-N 474.594 2.492 30 10 JEEE N#Cc1ccccc1NC(=O)[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)C1 1858376611 RQYKEKXJBMJYMJ-LJQANCHMSA-N 452.536 2.444 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)[C@@H](C)Oc3cccnc3NC(=O)/C=C/C(=O)O)cc21 1858752041 PLNLKRZXVIMGAV-MYSGNRETSA-N 451.435 2.223 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCNC(C)=O)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1OC 1862575544 ZNDZRQWCQXMDET-FQEVSTJZSA-N 469.450 2.326 30 10 JEEE COc1cc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCCNC=O)cc(Cl)c1O 1862599087 BLYQOOCGLCLFDP-SFHVURJKSA-N 460.870 2.474 30 10 JEEE COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CCCNC=O)cc1OC 1862633541 MJOSIQZUTXWUPQ-OAQYLSRUSA-N 468.462 2.147 30 10 JEEE CCCCCCCOc1cn(CCN2CCOCC2)c(CN2CCC(C(N)=O)CC2)cc1=O 1870411242 ZEAJPAWWXFYOKY-UHFFFAOYSA-N 462.635 2.227 30 10 JEEE C#CCOc1cn(CCc2nc(-c3ccc(OC)cc3)cs2)c(CN(CCO)CCO)cc1=O 1870560167 JYHIVNGKTYMOII-UHFFFAOYSA-N 483.590 2.022 30 10 JEEE C=CCn1c(C(=O)NC[C@@H](O)c2ccc(Cl)cc2)cc2c(N3CCC(C(N)=O)CC3)ncnc21 1873595327 YFTYZGWWMXLVFW-HXUWFJFHSA-N 482.972 2.436 30 10 JEEE C[C@@H](C(=O)O)N1C(=O)c2ccc(C(=O)Nc3c(C#N)cnn3-c3cc(F)cc(F)c3)cc2C1=O 1873684955 SDGIQUIZUVEEIR-JTQLQIEISA-N 465.372 2.344 30 10 JEEE COc1ccc(Cc2nnc(SCC(N)=O)n2/N=C/c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 1874350235 AWHDMFRSNMCYOQ-FOKLQQMPSA-N 484.494 2.017 30 10 JEEE COc1ccc(-n2nnc3c(N4CCN(C(=O)Nc5ccc(C#N)cc5)CC4)ncnc32)cc1 1891265950 CJIQHKVOKJRVGV-UHFFFAOYSA-N 455.482 2.445 30 10 JEEE CC#CC(=O)N1CCC[C@@H]1[C@H]1NC(c2ccc(C(=O)Nc3ccccn3)cc2)=C2C(N)=NC=CN21 2037521521 VAHLQHLGPMWFFV-CLOONOSVSA-N 467.533 2.090 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)NCC1(O)CCN(C(=O)OC(C)(C)C)CC1 2060138091 GMHWGPZMBFDABG-INIZCTEOSA-N 454.568 2.452 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1COC[C@@H]1CC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2256679205 UNHHEGOBTDMSAW-STQMWFEESA-N 453.370 2.311 30 10 JEEE COCCN(C(=O)c1nscc1B1OC(C)(C)C(C)(C)O1)C1CN(C(=O)OC(C)(C)C)C1 2267001937 RONNEIPOSVCKIB-UHFFFAOYSA-N 467.397 2.150 30 10 JEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CCNC(=O)[C@H]2C[C@H]2B2OC(C)(C)C(C)(C)O2)C1 2267097781 SCYQIYKQVVPUEQ-OWCLPIDISA-N 472.413 2.009 30 10 JEEE Cn1nc(C(=O)N2CC[C@H](CNC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2267184541 NGVFKQCCUPLZLT-CYBMUJFWSA-N 468.791 2.360 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2csc(B3OC(C)(C)C(C)(C)O3)c2)[C@@H](C(=O)O)C1 2267293741 VMXMAPLAFPIDPX-CQSZACIVSA-N 466.365 2.193 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C[C@H]1O 2267525542 GASHVZQQDBGMRI-NUEKZKHPSA-N 466.409 2.441 30 10 JEEE CC1(C)OB(c2cccc(S(=O)(=O)N[C@H]3[C@@H]4CN(Cc5ccccc5)C[C@@H]43)c2)OC1(C)C 2267714376 XIPKBPAUOQHVGM-ZBYYUNFXSA-N 454.401 2.395 30 10 JEEE CC(C)(C)OC(=O)N1CC2CCC1(C(=O)N=c1nc(B3OC(C)(C)C(C)(C)O3)[nH]s1)CC2 2268705866 KGDSXQBZFKMXAX-UHFFFAOYSA-N 464.397 2.377 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)[C@H]1C1CC1 2268724685 NWPYEMREPTWZEZ-ZIAGYGMSSA-N 464.397 2.233 30 10 JEEE CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1cccc(F)c1B1OC(C)(C)C(C)(C)O1 2281762641 ONJMIDHSYSAWBL-IRXDYDNUSA-N 464.343 2.489 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)[C@H](C(F)(F)F)C1 2281993142 WVLOJCDSAQOEKU-ZDUSSCGKSA-N 474.289 2.333 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2CN(C(=O)c3ncncc3B3OC(C)(C)C(C)(C)O3)C[C@H]21 2282187371 IGZHRFAWBCLENL-BFYDXBDKSA-N 458.368 2.151 30 10 JEEE CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1cc(F)ccc1B1OC(C)(C)C(C)(C)O1 2282402279 CYZOMIHMWCDLHQ-MSOLQXFVSA-N 464.343 2.489 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CC12CC(NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1)C2 2282496778 HKFZWCDXACYDEZ-FDTVQSNTSA-N 499.464 2.308 30 10 JEEE CC1(C)OB(c2scnc2C(=O)NC[C@]23CN(Cc4ccccc4)C[C@@H]2CCO3)OC1(C)C 2282522054 FODIDUFCSRJDHS-UUOWRZLLSA-N 469.416 2.463 30 10 JEEE CC(C)(C)OC(=O)N(CCO)[C@H]1CCCN(C(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)C1 2282526098 PCYKENCPGGIKKV-HNNXBMFYSA-N 481.424 2.276 30 10 JEEE CC1(C)OB(c2cnc(C(=O)NC[C@@H]3CCCN(C(=O)C(F)(F)F)C3)c(F)c2)OC1(C)C 2282536317 ATIKMKKOKXPJMF-LBPRGKRZSA-N 459.249 2.051 30 10 JEEE Cn1cc(C(=O)NCC2(F)CCN(C(=O)OC(C)(C)C)CC2)nc1B1OC(C)(C)C(C)(C)O1 2282552722 MLODNXMLKMLEDT-UHFFFAOYSA-N 466.363 2.188 30 10 JEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CC[C@@](NC(=O)OC(C)(C)C)(C(=O)O)C1 2282558734 DPGXHSFITVBLGJ-QFIPXVFZSA-N 464.324 2.081 30 10 JEEE CCc1nn(C)c(C(=O)N2C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2282561731 UJKFBYKJWBPSSF-HOCLYGCPSA-N 462.400 2.267 30 10 JEEE Cn1ncc(C(=O)N2C[C@@H]3CC[C@@H](NC(=O)OC(C)(C)C)[C@H]3C2)c1B1OC(C)(C)C(C)(C)O1 2282568515 DEQUNXFLHHWTOO-BHYGNILZSA-N 460.384 2.095 30 10 JEEE Cc1c(C(=O)N[C@]2(CF)CCN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282594504 GOAHFKDDQSJTTJ-QFIPXVFZSA-N 466.363 2.107 30 10 JEEE CN(C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 2282615995 VEBANYWTGALWKN-HUUCEWRRSA-N 463.388 2.022 30 10 JEEE CC1(C)OB(c2ccsc2C(=O)NC2(C(N)=O)CCN(Cc3ccccc3)CC2)OC1(C)C 2282668817 KYIIDASJXDDGMF-UHFFFAOYSA-N 469.416 2.297 30 10 JEEE Cc1ccc(C(=O)N2C[C@@H](O)C[C@@H]2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2282671078 OZVVYGQMJZWCDW-SJORKVTESA-N 460.380 2.394 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H]2CN(C(=O)c3ncncc3B3OC(C)(C)C(C)(C)O3)CC[C@H]21 2282706028 GYALTDNUBINADE-NVXWUHKLSA-N 458.368 2.247 30 10 JEEE CC(C)(C)OC(=O)N1CCC(C(F)(F)C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)CC1 2284032326 FTAFUVNSPCMUDZ-UHFFFAOYSA-N 488.366 2.480 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](OCC(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2284042589 STQYDUHJQZRVEI-HNNXBMFYSA-N 465.331 2.484 30 10 JEEE CC(C)(C)OC(=O)N[C@H](Cc1ncns1)C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2284043225 XCTNTMKONYYWPA-CYBMUJFWSA-N 495.436 2.046 30 10 JEEE CC(C)(C)OC(=O)NC[C@H](C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1)[C@H]1CCOC1 2284044041 ZRMQQTDQWPNUBV-RDJZCZTQSA-N 461.368 2.497 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CCO1 2285207102 UBCFWQAHZZMUPA-KRWDZBQOSA-N 461.368 2.055 30 10 JEEE Cc1ncc(C(O)=C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cccc(F)c2)c(C)n1 2296617488 UKJJTECGRYKYIQ-NRFANRHFSA-N 454.502 2.377 30 10 JEEE COc1ccc(OC)c(C=Nn2c(Cc3ccc(OC)c(OC)c3)nnc2SCC(N)=O)c1 2326740217 QCYPXVRORHQQBC-UHFFFAOYSA-N 471.539 2.363 30 10 JEEE CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)N1CC[C@@H](B2OC(C)(C)C(C)(C)O2)C1 2342468136 DAHJOAVWDSEGHA-WBVHZDCISA-N 453.389 2.347 30 10 JEEE CN(C(=O)OC(C)(C)C)[C@@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)CC1(C)C 2361517475 YSPSTHLWSMAJJF-MRXNPFEDSA-N 462.400 2.437 30 10 JEEE Cn1cnc(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 2362348280 PDGLSNZZIVWEBP-ARFHVFGLSA-N 460.384 2.237 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2[C@@H](CC[C@H]2NC(=O)OC(C)(C)C)C1 2362350064 NNSFIEKNDXBHHU-ARFHVFGLSA-N 460.384 2.095 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)n1C 2362437962 KLZCSXWCTPJAGH-BGYRXZFFSA-N 450.392 2.232 30 10 JEEE CN(C)c1ccc(/C=N/Nc2nnc(SCC(=O)Nc3cccc([N+](=O)[O-])c3)n2N)cc1 20527641 PDWQFEMSOFVUIU-SRZZPIQSSA-N 455.504 2.143 30 10 JEEE Cc1nn(C(C)C)c(C)c1/C=N/Nc1nnc(SCC(=O)Nc2ccccc2C#N)n1N 20912125 LAVACBDUDGFGLT-AUEPDCJTSA-N 452.548 2.435 30 10 JEEE COc1cc(CNC(=O)CSc2n[nH]c(N/N=C/c3cc(OC)ccc3O)n2)cc(OC)c1 58997745 GXDGKHRZQMCIQA-FOKLQQMPSA-N 472.527 2.391 30 10 JEEE Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1/C=C\C(=O)OCC(=O)Nc1cccc(C#N)c1 96492045 AXYUHKDOZJRDTC-KJPDOMRESA-N 462.915 2.271 30 10 JEEE COc1ccc([C@@H]2/C(=C(/O)c3c(C)nc4ccccn34)C(=O)C(=O)N2CCN2CCOCC2)cc1 103095820 NRVYFVFAQZQZFQ-KXNAUXDSSA-N 476.533 2.405 30 10 JEEE CN(C)CCCOc1ccc(CNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 489741306 NEMKKMBBEKUKIY-UHFFFAOYSA-N 485.610 2.105 30 10 JEEE COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1-c1ccc(F)c(Cl)c1 514327024 AAZKESCHGGNCQM-AWEZNQCLSA-N 471.941 2.346 30 10 JEEE CCCCCC[C@H](C)/C=C(C)/C=C\C(=O)N[C@@H]1CC2(O[C@@H]1O)[C@@H]1O[C@@H]1C(O)(CC(C)=O)[C@@H]1O[C@H]12 725383298 YFJWRMZGLWVCSQ-OQYYGKNUSA-N 477.598 2.316 30 10 JEEE Cc1nn(C)c2ncc(C(=O)[C@H](C#N)C(=O)Nc3cccc(S(=O)(=O)N4CCCCC4)c3)cc12 916948567 GJWUVYYLAYTTOR-FQEVSTJZSA-N 480.550 2.413 30 10 JEEE COc1cc(C=NNc2nnc(SCCC(=O)NCc3ccccc3)n2N)cc(OC)c1OC 1084067036 FVNMUMRWSPTVKG-UHFFFAOYSA-N 485.570 2.262 30 10 JEEE C=CCn1cc(CNC(=O)C2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)nn1 1130119770 OOAKTZOCTZVETD-UHFFFAOYSA-N 458.371 2.488 30 10 JEEE CC(C)N(C)S(=O)(=O)c1cccc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c1 1153857966 GMUIGKYVZLFFQL-FUHWJXTLSA-N 450.561 2.204 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2CCN2CCC(C)CC2)c1 1286311040 CPXOPAOZLZUZNQ-UHFFFAOYSA-N 477.613 2.189 30 10 JEEE C#CCN(c1nnc(C(C)C)n1CC1(N2CCSCC2)CCCC1)[C@H]1CCS(=O)(=O)C1 1286386448 ZYAJAIQKOBWEEM-IBGZPJMESA-N 465.689 2.390 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN(C)C(=O)OC(C)(C)C 1286462177 FXLYRZXPOWLHFC-UHFFFAOYSA-N 495.584 2.145 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H](C2CC2)N(C)C)CC1 1286491414 RBDSRVWDDVZABC-JOCHJYFZSA-N 470.568 2.453 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(S(C)(=O)=O)CC1 1286565295 ZZWBSQBMXMWQMQ-MTQWCTHYSA-N 481.663 2.260 30 10 JEEE C=C(C)COCCn1c(N2CCN(C(=O)c3ccccn3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1286614811 YFKOAKHHFSRXKD-VWLOTQADSA-N 484.601 2.269 30 10 JEEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](N2CCCC2=O)C1 1286776458 ZHHHXJUFGVQCGB-ZWKOTPCHSA-N 460.579 2.364 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Br)c2)nnc1N1CCNC(=O)[C@@H]1CC 1286814680 DRFJGVSFCAQJIV-INIZCTEOSA-N 482.404 2.023 30 10 JEEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1286827781 AFJLGDTUHLRFQQ-UHFFFAOYSA-N 472.663 2.122 30 10 JEEE CC(C)(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1)c1cccs1 1287093051 FOQDCDVBPHAVMN-MGPUTAFESA-N 482.607 2.092 30 10 JEEE C#CCN(c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@H](OC)C(C)C)[C@H]1CCS(=O)(=O)C1 1300493156 RQHRBESKJGXPII-FCHUYYIVSA-N 482.610 2.429 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1Cc1cccc(CN2CCO[C@H](C)C2)c1)[C@H]1CCS(=O)(=O)C1 1300495017 BMZYACBZBYYETF-QPPBQGQZSA-N 499.681 2.372 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H](C1CCCCC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1300497441 BOGMWGKGUOVTGS-PKTZIBPZSA-N 484.670 2.401 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CCCc1c[nH]nc1C)[C@H]1CCS(=O)(=O)C1 1300498325 JDQAACCKLYXPAR-SFHVURJKSA-N 488.564 2.438 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(N2CCCCC2)nc1 1300506130 NHJXVFFBPYJSLY-UHFFFAOYSA-N 454.538 2.432 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cc(Br)c[nH]2)n1Cc1nnn(C)n1 1300642069 HHRCJXFSZAGZGD-UHFFFAOYSA-N 470.310 2.386 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2CCC(=O)N[C@H](C)CC)CC1 1300686034 WEVKBLPCZKXAJO-MRXNPFEDSA-N 476.423 2.106 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2CCNC(=O)OC(C)(C)C)CC1 1300710103 SDNWZWXVRASGEZ-UHFFFAOYSA-N 458.538 2.276 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CC(C)(C)c2cccs2)CC1 1300710571 GZTZGPWQPLWRJS-UHFFFAOYSA-N 456.616 2.421 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cccc(OCC)c2)CC1 1300711417 BMTPSHCKAYCACO-UHFFFAOYSA-N 487.564 2.338 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H](c2ccc(F)cc2)N(C)C)CC1 1300725059 FMNPSXJUXIYQFV-UNMCSNQZSA-N 468.577 2.190 30 10 JEEE C#CCSCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1300740933 IEHWRJCMSWHPID-DLBZAZTESA-N 458.563 2.480 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC(=O)N1CCOCC1 1300802721 VFMQVBTVVCDMJS-RUZDIDTESA-N 486.617 2.244 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1300898734 ZWGZJPPYGJNNGY-NPPFBWRTSA-N 493.605 2.448 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@]2(N(C)C)CCC[C@H](C)C2)CC1 1301086504 KDXMKCYVQYSPLC-SXWKCWPCSA-N 480.679 2.278 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)OC)CC1)C(C)C 1301367827 UIPQQWHQYJGMJJ-FQEVSTJZSA-N 456.595 2.266 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(C)nc(N2CCCC2)c1 1301425174 TYRVBXXPIZPJJS-HXUWFJFHSA-N 474.631 2.171 30 10 JEEE C=CCNC(=O)Cn1c(N2CCN(CCC(C)(C)C)CC2)nnc1[C@]1(OC(C)C)CCOC1 1301520995 WNTOFBURARUBQP-DEOSSOPVSA-N 462.639 2.179 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N(C)CC(=O)NC(C)C 1301577867 UABWDSPNNHUMMF-UHFFFAOYSA-N 457.959 2.299 30 10 JEEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@H]2CCO[C@H](C)C2)CC1=O 1301887495 IDROOKPEYWOMNR-MOPGFXCFSA-N 452.559 2.317 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC1(C(=O)NCC)CCC1 1358895072 CBZZJNQSUMGRBX-JOCHJYFZSA-N 477.657 2.407 30 10 JEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1CSCCS1 1358978748 TYSDGQNHSSEKTH-IBGZPJMESA-N 453.641 2.374 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCOC2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1358993237 IRUBIBMOMRCFBN-RTBURBONSA-N 453.509 2.288 30 10 JEEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](C)Cc2ccc(OC)c(OC)c2)CC1 1359037936 DQDCOYAMUWMSSM-FQEVSTJZSA-N 480.613 2.052 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1359089115 BRSKROLBFMSKNC-WOZUAGRISA-N 460.623 2.041 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(NS(C)(=O)=O)CC1 1359094250 YVNBVROYRLXXGN-PXNSSMCTSA-N 490.586 2.353 30 10 JEEE C=C(C)COCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1359133701 XVGRNWSWDAFBEJ-PZJWPPBQSA-N 471.606 2.285 30 10 JEEE C=CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1359205624 DNRYTXBATDNOST-UHFFFAOYSA-N 454.623 2.429 30 10 JEEE C=CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CCN(S(C)(=O)=O)C1)C1CC1 1359254679 ZNBNPYYLMKOLME-KURKYZTESA-N 494.662 2.485 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1CC1(N(C)C)CCOCC1 1359256025 RXFPFXHQSUWLLS-OAQYLSRUSA-N 463.586 2.404 30 10 JEEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1359287496 GSEMQJOGQFSJEN-IAGOWNOFSA-N 469.608 2.176 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCn2c(C)nc3ccccc32)C1 1359313392 LGPHEORFWCJTSO-SJLPKXTDSA-N 473.603 2.028 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](C)N(Cc2ccccc2)CC1 1359327372 ZGQXROGNZGVLJG-HXUWFJFHSA-N 488.658 2.118 30 10 JEEE N#Cc1cc(S(=O)(=O)N(Cc2cccnc2)[C@@H]2CCS(=O)(=O)C2)ccc1C(F)(F)F 1462739273 FUHBUOITNAXDOV-OAHLLOKOSA-N 459.471 2.350 30 10 JEEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1507589772 ZVFJUTOMQIRSOA-RBUKOAKNSA-N 487.605 2.040 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@H](C)N(C)C1CC1)[C@H]1CCS(=O)(=O)C1 1507624690 CUZJNJSQIGWVEO-YOEHRIQHSA-N 495.447 2.145 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1CCOC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1507633148 BUZLRZBLFPYAAT-LJQANCHMSA-N 460.600 2.319 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCCNc1ccccn1)[C@@H]1CCS(=O)(=O)C1 1507634306 JPJVNLHYXICRES-LJQANCHMSA-N 485.639 2.158 30 10 JEEE C#CCN(c1nnc(CCOc2ccccc2)n1C[C@]1(O)CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1507640796 WEOSTBOOZMNEDK-JXALWOEJSA-N 472.611 2.077 30 10 JEEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1[C@@H]1C[C@H]1CCC)[C@@H]1CCS(=O)(=O)C1 1507641056 YSASGEWMBCFMMT-BRWVUGGUSA-N 461.613 2.257 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCCn2ccnc2C)CC1 1507721409 SPYMENPEASYXRG-UHFFFAOYSA-N 481.626 2.089 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2CC2CCN(C(C)=O)CC2)CC1 1507742772 PUJTUVOCGZJKHA-UHFFFAOYSA-N 480.588 2.232 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCCCO2)nnc1N1CCC(C(=O)NCCOC)CC1 1507798058 MZFFAJAGTBALTR-ACRUOGEOSA-N 461.607 2.480 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2cccs2)CC1 1507844385 JAJDGXKGSSULER-GOSISDBHSA-N 465.645 2.157 30 10 JEEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(=O)c2ccccc2)CC1 1507944541 SKMQCAVWAKPCHA-QGZVFWFLSA-N 460.604 2.253 30 10 JEEE C=CCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1508062680 JXINMKALFFAGIS-JOCHJYFZSA-N 472.659 2.232 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCO[C@@]2(CCOC2)C1 1508071951 CBPYCSLBXASJIK-UUOWRZLLSA-N 471.558 2.115 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCN([C@H](C)c2nc(CC)no2)CC1 1508079442 VUKVJGHRLITQAM-QGZVFWFLSA-N 450.547 2.076 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@H](C(=O)NC)C1 1508135105 JVCIYCLXCGLRJL-INIZCTEOSA-N 483.541 2.110 30 10 JEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 1539093846 GNGLVAQOYBIKMP-CABCVRRESA-N 473.525 2.359 30 10 JEEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1Cc1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 1539206584 RRIMZFDLRSMMJL-NHCUHLMSSA-N 452.584 2.229 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCOc1cc(C)cc(C)c1)[C@@H]1CCS(=O)(=O)C1 1539219160 BEZAYBPPMACLKW-WOJBJXKFSA-N 458.584 2.105 30 10 JEEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1Cc1ncccc1C)[C@H]1CCS(=O)(=O)C1 1539230891 QVDCDWWEIHCCCH-IBGZPJMESA-N 481.578 2.244 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1539337559 KXBDWKVDWHTYBG-OZDMQEEGSA-N 464.570 2.186 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CCCCn2cc(Br)cn2)CC1 1539453057 BTGAFNKJZCKJTQ-UHFFFAOYSA-N 483.418 2.459 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ccc(C)n(C)c2=O)CC1 1539462875 NRPCKQNWAOKRAE-NHCUHLMSSA-N 452.603 2.007 30 10 JEEE C=C(C)Cn1c(N2C[C@@H]3[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]3C2)nnc1C(C)(C)C 1539733652 JBBMWYLDBZQPGI-OAGGEKHMSA-N 453.609 2.278 30 10 JEEE C=C1CCN(c2nnc(CCN3CCN(c4ccccc4)CC3)n2CCCNC(C)=O)CC1 1539853981 JDWCHVSEGLGJTA-UHFFFAOYSA-N 451.619 2.325 30 10 JEEE C=CCCCn1c([C@@H]2CCCOC2)nnc1N1C[C@@H]2[C@H](C1)[C@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1539999260 YYHXDGGRTKLFCY-NCXUSEDFSA-N 495.646 2.265 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ncccc1C 1540187609 RYAVGVZPZJTNIZ-NRFANRHFSA-N 486.598 2.191 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1540862532 CYAAUXLWYBDCRL-WMZOPIPTSA-N 458.538 2.164 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(c2nccnc2C)CC1 1540863281 SOKKOVAZQJMGHD-GOSISDBHSA-N 480.548 2.284 30 10 JEEE C=CCS(=O)(=O)CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1540908278 FDKMDEOCBLFWGV-MRXNPFEDSA-N 497.046 2.038 30 10 JEEE CC(C)NC(=O)c1nnc(N(C)[C@@H](C)CC#N)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 1541634245 DCKJRUMMJTUURQ-FPOVZHCZSA-N 453.591 2.446 30 10 JEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)N1CCN(c2ccccc2)CC1 1544580954 LKNOFRSZOYKSOH-SFHVURJKSA-N 450.967 2.487 30 10 JEEE CCCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCOCC2)C1 1546808237 DTEGLUFSIKEFQS-JOCHJYFZSA-N 465.602 2.424 30 10 JEEE CN(C[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCCC2)C1)S(C)(=O)=O 1554228648 CLGLSJPOXNAYFJ-IBGZPJMESA-N 472.615 2.230 30 10 JEEE COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCO[C@H]2C(C)C)CC1 1555200778 GQZGAINNGBCZHK-UNMCSNQZSA-N 452.559 2.173 30 10 JEEE C#CCCCn1c(Cc2csc(C)n2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1587868805 DHWVCJCHPGSWGQ-UHFFFAOYSA-N 491.668 2.323 30 10 JEEE C#CCN(c1nnc(COc2ccccc2OC)n1CCC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1588069489 PCNSSGQARNGBBI-FQEVSTJZSA-N 488.610 2.309 30 10 JEEE C#CCN(CC)c1nnc(-c2cc(OC)ccc2Br)n1CCCn1cc(CO)nn1 1588281091 YBHKXJVGMDSMND-UHFFFAOYSA-N 474.363 2.350 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2CCC(OC)CC2)CC1 1588884428 AGFALLQWCKFSIX-UHFFFAOYSA-N 479.585 2.096 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C)(COC)CC1 1589493044 FNJXLQHIIGQFJE-KSZLIROESA-N 455.625 2.122 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](C(N)=O)C1 1593741320 MQJHBQVHBVGQHD-ZWKOTPCHSA-N 462.595 2.297 30 10 JEEE C=CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1594714580 XVRNCCMCICMGJK-OAHLLOKOSA-N 454.622 2.074 30 10 JEEE C=CCCOCCn1c(CC(C)(C)C)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1594819824 MOSJJRQYTQLAMD-UHFFFAOYSA-N 479.651 2.012 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1595297090 MREKAQVKWXTYJZ-PZJWPPBQSA-N 456.591 2.479 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 1595496741 FTJAAUMQVQKAHE-FQEVSTJZSA-N 497.625 2.306 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H](c2ccc(OC)cc2)C1 1595607111 AFJCTTBSEQBPRQ-IPJJNNNSSA-N 455.559 2.307 30 10 JEEE CC(C)(C)C(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCOCC2)CC1 1596912100 FCQFBDPQPXFBAF-UHFFFAOYSA-N 465.602 2.234 30 10 JEEE CNC(=O)[C@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2CCN(C(=O)OC)CC2)C1 1618595326 FDQKQDHCYLICFY-RUZDIDTESA-N 495.584 2.170 30 10 JEEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(I)cc2O)cc1 1625021669 HMGSUCOCPGTKNH-UHFFFAOYSA-N 456.261 2.161 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@H](OCC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)C1 1633661965 BPELWIPGZQOXCZ-IXDOHACOSA-N 452.552 2.278 30 10 JEEE C#CCn1cc(CNC(=O)[C@H](CCSC)NS(=O)(=O)c2ccc3ccccc3c2)cn1 1634631017 IKZPRWALJJWSNU-NRFANRHFSA-N 456.593 2.386 30 10 JEEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H](CNC(=O)OC(C)(C)C)C(F)(F)F)cc1 1639254502 SNGJJHLCXZTQLU-CQSZACIVSA-N 451.467 2.336 30 10 JEEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)C1CN(C(=O)C2CCCC2)C1 1664194233 PJQPWZMOLBIPOG-UHFFFAOYSA-N 453.605 2.052 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H]2CC(F)(F)CO2)c1 1689868342 DDPTZLLXIWJTIF-WMZHIEFXSA-N 489.523 2.411 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2CCCN2CCN(CC)CC2)c1 1689873437 IRTVVSIHQOGCQO-HSZRJFAPSA-N 479.629 2.213 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1cccnc1OCCC)[C@@H]1CCS(=O)(=O)C1 1689993554 GTDZHKYYSGZGHB-OAQYLSRUSA-N 480.594 2.123 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(N2CCCCCC2)nc1 1690092687 RJWYYURDWVPWIM-UHFFFAOYSA-N 465.602 2.424 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)s3)n2CCOCCN(C)C)CC1 1690115480 HHXNKJGGNUMICC-UHFFFAOYSA-N 467.437 2.103 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(C)o3)n2CC[C@H](N2CCOCC2)C(F)(F)F)CC1 1690115617 MVZUNQNTZYUFQH-IBGZPJMESA-N 466.508 2.255 30 10 JEEE C#CCN1CCN(c2nnc(-c3nn(C(C)C)c(=O)c4ccccc34)n2CCCCCO)CC1 1690122033 CMKHQVCHUKECRX-UHFFFAOYSA-N 463.586 2.154 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc4ccccc4o3)n2CCOCCN(C)C)CC1 1690139337 ILZWUPVBXUFHSC-UHFFFAOYSA-N 464.570 2.235 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(CC(N)=O)CC1 1690251349 TXEDDPHTTOHNHK-DYESRHJHSA-N 472.615 2.343 30 10 JEEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N1CCN(CC(F)(F)F)CC1 1690309528 CJQWRNZKKIZRGT-UHFFFAOYSA-N 456.469 2.283 30 10 JEEE C=C(Cl)Cn1c(-c2cccnc2)nnc1N1C[C@@H]2[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1690340119 FWVFIOZNEFDTOJ-IXDOHACOSA-N 495.005 2.219 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCOC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1690603418 AVTJYDIFOAIBDY-LEWJYISDSA-N 459.616 2.299 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CN(CC(C)C)CCO2)C1 1690684974 SOYDQDKCIWLPGV-VQTJNVASSA-N 469.590 2.064 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CC(=O)NCC(F)(F)F)C1 1690699310 CNFFQYFPYBIQQA-PBHICJAKSA-N 467.448 2.250 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1690724754 VZPCOYCHCVMUEM-MRXNPFEDSA-N 463.608 2.111 30 10 JEEE CN(C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC2CC2)CC1)S(C)(=O)=O 1696651493 ARNFLBKINBHFPP-UHFFFAOYSA-N 458.588 2.389 30 10 JEEE COC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1697849645 AOJZKUHNKMNQGU-AZUAARDMSA-N 458.588 2.104 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1705562953 NMCBFKGDJQKLSL-AZUAARDMSA-N 489.642 2.318 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1CCCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1705565827 WTLJRUWVPRHZBB-IBGZPJMESA-N 468.583 2.176 30 10 JEEE C#CCN(c1nnc(COCC)n1C[C@H](c1c(F)cccc1F)N(C)C)[C@@H]1CCS(=O)(=O)C1 1705568496 OPDSWOMBJZTSGZ-VQIMIIECSA-N 481.569 2.022 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCn1ccnc1C 1705591608 UCZBNDZADAYYMV-UHFFFAOYSA-N 450.568 2.407 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCOC[C@@H]1CCCO1 1705611021 MXEAUDXTSPLXMH-SFHVURJKSA-N 450.543 2.237 30 10 JEEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C)c2ccccc2C1 1705680785 HHSSYKUFVAOGHR-CQSZACIVSA-N 469.409 2.253 30 10 JEEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1705725432 AGMZFBCONUNVFZ-PMACEKPBSA-N 476.622 2.464 30 10 JEEE C=C(C)COCCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(C(=O)C(C)C)CC1 1705738294 RSTZTPHYIBWLMR-UHFFFAOYSA-N 451.575 2.414 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccnc(SC)c2)CC1 1705782059 NMNVYZAINMEQRC-SFHVURJKSA-N 478.644 2.179 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1705933328 CICXYQHPMGZVQR-QZTJIDSGSA-N 463.991 2.447 30 10 JEEE CC(C)Cc1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1CC1(O)CCS(=O)(=O)CC1 1706402628 HBEHPEKKGWVMBN-UHFFFAOYSA-N 487.626 2.336 30 10 JEEE CC(C)CCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1C[C@@]1(N2CCOCC2)CCSC1 1706462506 FPRHTHBIYJLKMD-DEOSSOPVSA-N 489.690 2.488 30 10 JEEE CC[C@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1708618002 HWJRADCRFPHBEL-OALUTQOASA-N 498.595 2.498 30 10 JEEE CNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)c2cccs2)CC1 1711350805 CCWNWPBWORKJGJ-UHFFFAOYSA-N 463.567 2.271 30 10 JEEE COCCn1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCCO[C@H](C)C2)cn1 1712467565 HHNOSAYVYXSGBR-GOSISDBHSA-N 451.531 2.235 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CCc2scnc2C)c1 1722308924 HYXJDGWVUQHILY-GOSISDBHSA-N 463.567 2.293 30 10 JEEE C#CCCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@@H](C(=O)NC)C1 1722310312 JKKCHFLLESLGMB-GOSISDBHSA-N 471.631 2.313 30 10 JEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 1722317963 ZEWVZFOCJBSEMN-DLBZAZTESA-N 462.576 2.068 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1CN(CC(C)C)CCO1 1722370120 GRCPABKXPHISDZ-JOCHJYFZSA-N 483.016 2.291 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC1(COC)CCCCC1)[C@H]1CCS(=O)(=O)C1 1722371836 MCKUVRPLYUFDFZ-NRFANRHFSA-N 488.658 2.363 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2Cc2ncnn2C(C)(C)C)CC1 1722430166 ZJQIUPXOFCIOCE-UHFFFAOYSA-N 475.601 2.297 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2cccc(OCC)c2)CC1 1722441183 NCLPELPKLIINGG-UHFFFAOYSA-N 478.597 2.121 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCN(C)C2CCCC2)CC1 1722443742 NEEATBMCEZJFTI-AREMUKBSSA-N 486.661 2.159 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1722506758 WFCBHWINESWQMF-PXCRPINLSA-N 464.636 2.379 30 10 JEEE C=C(Cl)Cn1c(N2CCN(CC(=O)N[C@@H](C)CC)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1722558753 XIFUSCFIDHTKBS-PGRDOPGGSA-N 469.030 2.108 30 10 JEEE C=C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCNS(=O)(=O)c2ccccc2)CC1 1722559286 RBVXVMOYGXOMMY-UHFFFAOYSA-N 467.555 2.060 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)C1 1722708920 GLEGZZWSSIWDJM-IAGOWNOFSA-N 450.584 2.453 30 10 JEEE C=CCSCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1722742734 FHFBXCHMUZNCMF-UHFFFAOYSA-N 498.653 2.320 30 10 JEEE CC[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CC#N)Oc1cccc(F)c1 1727266574 HKZJJMBYSCXJOL-POAQFYNOSA-N 494.593 2.346 30 10 JEEE N#Cc1cccc(-c2nnc(N3CCN(CC4CCOCC4)CC3)n2CC(=O)NCC(F)(F)F)c1 1731180285 GMFDSVRTYLMIQS-UHFFFAOYSA-N 491.518 2.044 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)c1ccc2c(c1)OCCO2 1740532505 HGWLZZVXGMWAQE-HOTGVXAUSA-N 461.588 2.095 30 10 JEEE C#CCCCn1c(COc2ccc(F)cc2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1740596082 RUBMQGKTCNYJTK-UHFFFAOYSA-N 463.517 2.230 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1Cc1csc([C@H](C)OC)n1)[C@H]1CCS(=O)(=O)C1 1740627820 SOSHVDTURQMQNP-RDJZCZTQSA-N 451.618 2.316 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCN(C)C(=O)OC(C)(C)C)CC1 1740703898 DAGZFOKCSWDLNI-UHFFFAOYSA-N 467.574 2.173 30 10 JEEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1740717799 APOPONRPXJILIW-ZWKOTPCHSA-N 465.620 2.268 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(N(CC)CC)nc1 1740724445 CIFPTWHBYKSANP-HTAPYJJXSA-N 459.620 2.170 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1740767210 NFTLSGZOBGRVAG-UGKGYDQZSA-N 455.559 2.464 30 10 JEEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1740777689 YNBLOAHPYXDVDQ-HZPDHXFCSA-N 456.613 2.158 30 10 JEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](c2nnc(C(C)C)o2)C1 1740796133 PPYFTTVHQBWXDR-QGZVFWFLSA-N 459.551 2.078 30 10 JEEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1740879704 QFQSGZSGLLSFOX-UHFFFAOYSA-N 466.633 2.096 30 10 JEEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1740960863 DOSAFAJEAPCIRH-KRWDZBQOSA-N 482.539 2.345 30 10 JEEE Cc1noc(C)c1[C@@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1742861869 BSIKLTDFGXTLAO-KRWDZBQOSA-N 476.585 2.436 30 10 JEEE C#CCN(c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCCOCC)[C@@H]1CCS(=O)(=O)C1 1748809256 QWAVKGLNLQGVSG-LJQANCHMSA-N 468.583 2.389 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H](C)Oc1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 1748812405 VFKRCKDUNXGHEG-OALUTQOASA-N 466.567 2.138 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1ccc(OC)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1748816063 WLNOYCIZVXIQTD-XLIONFOSSA-N 462.547 2.342 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2Cc2cccc(OCCN(C)C)c2)CC1 1748986893 LAQAVZKBAIPWFC-UHFFFAOYSA-N 459.598 2.392 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCc2csc(CC)n2)CC1 1749010144 OGNYXXVDUZXWHW-SFHVURJKSA-N 456.616 2.400 30 10 JEEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)CCN1CCOCC1 1749023391 UBLUOLMBBAOTAQ-UHFFFAOYSA-N 453.410 2.171 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C)N(C)c2ccccc2)C1 1749713803 YVWGCXOHPONHNI-QKNQBKEWSA-N 459.616 2.486 30 10 JEEE C[C@H]1CN(CCCn2c(N3CCN(c4nccnc4C#N)C[C@@H]3C)nnc2C(C)(C)C)CCCO1 1752402254 FCMPMQPVAWGHJM-PMACEKPBSA-N 481.649 2.453 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2CC2(N(C)C)CCOCC2)c1 1760128920 WLLVTLLELIFKHN-OAQYLSRUSA-N 480.613 2.339 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccccc1OC(C)C)[C@H]1CCS(=O)(=O)C1 1760186423 CMOGILCWDLVOAV-PMACEKPBSA-N 458.584 2.244 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1CC(C)(C)N1CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1760190525 XKEVGWCRMSSQOC-CTNGQTDRSA-N 470.643 2.477 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1c(F)cccc1SC)[C@H]1CCS(=O)(=O)C1 1760190798 ZNNXJKZQXSWWAY-INIZCTEOSA-N 474.587 2.215 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@@]1(O)CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1760191008 ZDTAOHNURYOABB-AVRDEDQJSA-N 477.656 2.202 30 10 JEEE C#CCN(c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCCC)[C@@H]1CCS(=O)(=O)C1 1760192537 VLQPCJRXXNHOSG-HSZRJFAPSA-N 484.670 2.070 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(OC)cc(OC)c2)n1CCCN1CCC(O)CC1 1760213097 PKOFHBRXULMCJK-UHFFFAOYSA-N 451.571 2.272 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(c2cccc(OC)c2)CC1 1760249524 NGHWHWAEUJTGIE-GOSISDBHSA-N 458.584 2.007 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2CCCC(=O)N(C)C)CC1 1760272058 XCYOQZHNFMKPNQ-UHFFFAOYSA-N 475.597 2.184 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1760313395 NPSXEXKWPUGYTC-FPOVZHCZSA-N 484.576 2.499 30 10 JEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCCN(C(=O)c2ccccc2)CC1 1760359775 KKEITBVDZBJDGV-UHFFFAOYSA-N 466.586 2.346 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1760518396 SZEQLSYOIZOXHP-QGZVFWFLSA-N 451.531 2.406 30 10 JEEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC=C(Br)C1 1760566334 RDRZLNLTHFFQGN-OAHLLOKOSA-N 492.465 2.019 30 10 JEEE CC(C)OCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)CN2CCOCC2)CC1 1761433343 ABMFIBSZNGQEMJ-QFIPXVFZSA-N 481.645 2.332 30 10 JEEE C[C@@H]1COCCN1CCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](C(F)(F)F)C1 1763232281 CVSBUAVVLLHCRF-APWZRJJASA-N 480.491 2.217 30 10 JEEE CCN(CC)C(=O)CCCn1c(-c2ccccn2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1764872270 DYTRADVQDDOSLR-IBGZPJMESA-N 488.600 2.365 30 10 JEEE CCOc1ccc(S(=O)(=O)Nc2c(C#N)nnn2Cc2cc([N+](=O)[O-])cc3c2OCOC3)cc1 1870095412 IMNGGMHUQNZGIA-UHFFFAOYSA-N 486.466 2.172 30 10 JEEE C=CCn1cc(OCc2nc(O)c3ccccc3n2)c(=O)cc1CN1CCN(c2ncccn2)CC1 1870373448 AJSGPXJANZLBLB-UHFFFAOYSA-N 485.548 2.374 30 10 JEEE C=CCn1cc(OCC(=O)Nc2nc(C)c(C(=O)OC)s2)c(=O)cc1CN1C[C@@H](C)O[C@H](C)C1 1870585824 GOMUYQNNMPVPDT-HUUCEWRRSA-N 490.582 2.213 30 10 JEEE CCCCCCCCN1C[C@H](C(=O)N2CCC(C(=O)NCCN3C(=O)CSC3=O)CC2)CC1=O 1872926257 NHYXNSIFZJNDIR-LJQANCHMSA-N 494.658 2.246 30 10 JEEE COc1ccc(/C=N/Nc2cnn([C@@H]3CCS(=O)(=O)C3)c(=O)c2Cl)c(Br)c1O 1873528512 AVAIJEJEGMZZES-GFKCFBEASA-N 491.751 2.179 30 10 JEEE COc1ccc(/C=N/n2c(SCCO)nnc2[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1O 1874208422 FOBJAENCZQBOFO-VQXFCIMOSA-N 467.551 2.475 30 10 JEEE CCN(CC)C(=O)CSc1nnc(CCOC)n1/N=C/c1cc(OC)c(O)c(OC)c1 1874469721 UDZXCIJYNAOGJW-CIAFOILYSA-N 451.549 2.033 30 10 JEEE C=CCn1c(C(=O)N2CCC3(CC2)OCCO3)cc2c(NCCCN3CCCC3=O)ncnc21 1875226442 DOEILNXJYRTUJG-UHFFFAOYSA-N 468.558 2.021 30 10 JEEE COC(=O)[C@]1(NC(=O)OC(C)(C)C)C[C@H](NCc2occc2B2OC(C)(C)C(C)(C)O2)C1 2101328164 IGFNLDCQVLXLPK-CAJLXGCNSA-N 450.341 2.267 30 10 JEEE CC(C)(C)OC(=O)N1Cc2[nH]cnc2C[C@H]1C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 2124625748 JYLNQUKXZDLPRB-NQIIRXRSSA-N 450.543 2.308 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1CCN1S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2247950724 DSXLRGWTFJZPGZ-CYBMUJFWSA-N 458.411 2.335 30 10 JEEE CC(F)(F)C[C@H](NC(=O)OC(C)(C)C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2256641414 ZZUFVINNAPIKJF-JTQLQIEISA-N 462.328 2.136 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N[C@@H]2[C@H](NC(=O)OC(C)(C)C)[C@@H]3CCCO[C@H]32)C1 2266541109 WLNUTOSSLIGFMU-CNACNYBUSA-N 463.575 2.480 30 10 JEEE CN(C[C@@H](O)CNC(=O)OC(C)(C)C)C(=O)c1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2266976018 NQWUCNCUQKHPMD-HNNXBMFYSA-N 452.332 2.083 30 10 JEEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CN(C(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)CCO1 2267001281 JEIINKUSDWKSSC-HIFRSBDPSA-N 467.397 2.197 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1)C(F)(F)F 2267141857 ZSIBSDDASHNDCO-GFCCVEGCSA-N 462.278 2.284 30 10 JEEE COC1(CCNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)CN(C(=O)OCc2ccccc2)C1 2267284752 CQBYFVDOTMWMEQ-UHFFFAOYSA-N 483.374 2.471 30 10 JEEE C[C@H]1[C@H](NC(=O)C(F)(F)F)CCCN1S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2267366214 CICBMLWZBKNCQL-WCQYABFASA-N 482.355 2.267 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CNS(=O)(=O)c3cc(B4OC(C)(C)C(C)(C)O4)cs3)[C@@H]2C1 2267369756 AZNYVDDRRKXOJV-PHZGNYQRSA-N 484.449 2.439 30 10 JEEE CC(C)(C)OC(=O)N1[C@H]2CCC[C@H]1[C@H](C(=O)N=c1nc(B3OC(C)(C)C(C)(C)O3)[nH]s1)C2 2277626185 BMGWAFBDVCAKOO-MJBXVCDLSA-N 464.397 2.376 30 10 JEEE Cc1cnc(C(=O)N[C@H]2COCCN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2281954360 AQBPOUQVNUKVHT-MRXNPFEDSA-N 461.368 2.055 30 10 JEEE Cc1nsc(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 2281974682 YJSAEBSUHSIYSZ-DTZQCDIJSA-N 479.408 2.161 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H](F)C[C@@H]2CNC(=O)OC(C)(C)C)n1 2282066335 IIIZKEJETFISMG-LSDHHAIUSA-N 466.363 2.280 30 10 JEEE CC1(C)OB(c2occc2C(=O)N2C[C@H](CNC(=O)C(F)(F)F)C3(CCC3)C2)OC1(C)C 2282199408 GCUGRBUQZFMTSA-ZDUSSCGKSA-N 456.270 2.500 30 10 JEEE CCn1cc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2SC)nc1B1OC(C)(C)C(C)(C)O1 2282540822 OZQMQCPTRPPODU-GOEBONIOSA-N 480.440 2.283 30 10 JEEE CON(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)c(C)nn1C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2282557300 TTZKHAMZGVAVNT-HNNXBMFYSA-N 464.372 2.041 30 10 JEEE Cc1cc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)cc(C)c1B1OC(C)(C)C(C)(C)O1 2282654674 LKTCPNWSEYIUQW-ZWKOTPCHSA-N 460.380 2.313 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](CNC(=O)c3ncncc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2282695899 VDVIUKJWLKPREU-PMPSAXMXSA-N 458.368 2.009 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@H]2[C@@H](C(=O)Nc3ncc(B4OC(C)(C)C(C)(C)O4)cc3F)[C@H]21 2284039075 WXJZZLYCXQPONV-ARFHVFGLSA-N 463.315 2.093 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H]1C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2285187896 KGEYYWMDXQCNSQ-FUHWJXTLSA-N 464.343 2.111 30 10 JEEE CC(C)N1C[C@@H](c2nnc(SCC(=O)Nc3nccs3)n2N=Cc2ccccn2)CC1=O 2329020350 MLFHFVMXSBZBJY-AWEZNQCLSA-N 470.584 2.467 30 10 JEEE CC(=O)NCc1nnc(SCC(=O)Nc2ccc(F)cc2)n1N=Cc1ccc(O)c([N+](=O)[O-])c1 2330731946 LMPXVSAXMFWQFI-UHFFFAOYSA-N 487.473 2.280 30 10 JEEE C#Cc1cnn(C2CN(C(=O)[C@H](CC(=O)OCc3ccccc3)NC(=O)OC(C)(C)C)C2)c1 2339489072 ZHHHIZZLMDLTLI-FQEVSTJZSA-N 452.511 2.275 30 10 JEEE COC[C@@H](ONC(=O)OC(C)(C)C)C(=O)N1CCc2scc(B3OC(C)(C)C(C)(C)O3)c2C1 2361641175 XJHQVZCSTGIQPK-MRXNPFEDSA-N 482.408 2.403 30 10 JEEE Cn1cnc(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 2362449887 ZWKGFWYNVSYLRI-JONQDZQNSA-N 460.384 2.141 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C1)[C@@H]2NC(=O)c1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1O 2364942566 BLZVNDDSVNMPBL-ZSBFGKGUSA-N 462.327 2.426 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)NCC(=O)Nc3c(C)cc(C)cc3C)cc2C1=O 9701443 ZXGQXDXDDCWGQL-UHFFFAOYSA-N 463.490 2.306 30 10 JEEE COc1cc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc(OC)c1Br 18039257 ZEMDRWDIVUXGNO-UHFFFAOYSA-N 494.367 2.485 30 10 JEEE CCOC(=O)C1CCN(c2nc3ccccc3n3c(=O)n(CC(=O)Nc4ccc(C#N)cc4)nc23)CC1 35425947 UCYSDCOPSRLHBU-UHFFFAOYSA-N 499.531 2.334 30 10 JEEE COCCn1cc(/C=N/Nc2nc(SCC(=O)Nc3cc(Cl)ccc3OC)n[nH]2)cn1 59886804 OFHZTMLPJGYTJF-DNTJNYDQSA-N 464.939 2.486 30 10 JEEE C#CC[C@H](O)CNC(=O)[C@H](CCC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 757473991 GCRACTBGVCZDKP-AOMKIAJQSA-N 450.491 2.259 30 10 JEEE O=C(CSc1n[nH]c(NN=Cc2cc([N+](=O)[O-])ccc2O)n1)NCCc1ccc(F)cc1 1084112306 WSVIPXSDDKXXGI-UHFFFAOYSA-N 459.463 2.455 30 10 JEEE CS(=O)(=O)CC[C@@H](NC(=O)c1ccccc1Cl)C(=O)NCc1ccc(C#N)c(F)c1 1161843525 HYOYDGLLUVIFJY-GOSISDBHSA-N 451.907 2.200 30 10 JEEE C=C[C@@H](C)ONC(=O)C1CCN(c2ccc(S(=O)(=O)N(CC)CC)cc2[N+](=O)[O-])CC1 1164415088 WPGDYYWTSGBJRM-OAHLLOKOSA-N 454.549 2.464 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2C[C@H]2NC(=O)CC2(C)C)c1 1286309510 LIKBJMAAVCAPAY-HXUWFJFHSA-N 457.538 2.311 30 10 JEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1csc(COC)n1 1286377611 ZHPACEXEKGFAFN-MRXNPFEDSA-N 462.576 2.307 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCC1(OC)CCC1)[C@H]1CCS(=O)(=O)C1 1286382390 JAIDLUDGUWTMOH-IBGZPJMESA-N 473.555 2.439 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCOc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1286390758 CCSIIUAENNAEFU-QUCCMNQESA-N 462.547 2.365 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(N2CCC(CO)CC2)cc1 1286415049 JCZTZNVPZNRWPI-ZCYQVOJMSA-N 477.609 2.332 30 10 JEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCN(CC)CCC(F)(F)F)CC1 1286484080 DOPMMKSTTUPLQZ-UHFFFAOYSA-N 466.556 2.169 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CCO)Cc1ccccc1 1286541370 ICHXCSDXPBIOEP-MRXNPFEDSA-N 455.378 2.088 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(O)CCO[C@H]1C 1286758517 PHQNIBMEGFXALN-BSRJHKFKSA-N 463.579 2.305 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1286784350 FIZCRDNNYJKYJE-VQIMIIECSA-N 489.418 2.167 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(c2ccnc(C)n2)CC1 1286792357 VNNFFUBNVQXQES-UHFFFAOYSA-N 476.585 2.201 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1286793374 XAUWGVJNLXNDIJ-NRFANRHFSA-N 460.991 2.385 30 10 JEEE C=CCOc1ccc(Cn2c(-c3cnn(C)c3)nnc2N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)cc1 1286794385 FKXNEPLELWOROR-FQEVSTJZSA-N 499.641 2.400 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@H](C)[C@H](C)C1 1286819329 GYMKAYFJRYEPCO-IAGOWNOFSA-N 470.599 2.275 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1286823009 QQQJECRAJGYQNO-FQEVSTJZSA-N 478.663 2.194 30 10 JEEE Cc1nn(C)c(N2CCN(c3nnc(CC(C)C)n3CCC(=O)NC(C)(C)C)CC2)c1C#N 1290576763 HXXMQTKAGVUFKM-UHFFFAOYSA-N 455.611 2.022 30 10 JEEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H](N1CCOCC1)C(F)(F)F 1300320750 JLLDBUUDKRNTOF-LPHOPBHVSA-N 462.476 2.450 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2Cc2nc(C)c(C)s2)c1 1300333085 VAFZCNZLRHZGDM-GOSISDBHSA-N 463.567 2.407 30 10 JEEE C#CCN(c1nnc(C)n1CCCNc1ccc(C(F)(F)F)cn1)[C@@H]1CCS(=O)(=O)C1 1300483795 MDMMQQZVRBEYGC-MRXNPFEDSA-N 456.494 2.129 30 10 JEEE C#CCN(c1nnc(C2CCCC2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O)[C@H]1CCS(=O)(=O)C1 1300492648 OJHIYRSSHMHFMZ-CTNGQTDRSA-N 487.601 2.046 30 10 JEEE C#CCN(c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H](C)OC)[C@H]1CCS(=O)(=O)C1 1300495387 GYAUMGOTDOFFLW-MJGOQNOKSA-N 495.646 2.054 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CCCCC1)[C@H]1CCS(=O)(=O)C1 1300504708 QWHYFQDQQNKSJT-FQEVSTJZSA-N 483.594 2.051 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(=O)N(C)C 1300649333 USJNMIXYPQXOHH-UHFFFAOYSA-N 476.560 2.319 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1301576968 CPWVYIBJWFPDSX-MRXNPFEDSA-N 455.462 2.185 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCC[C@H]2OC)c1 1358900174 DDZVNENOKOROGU-AZUAARDMSA-N 452.559 2.288 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)CCc1cccs1 1358930366 UDPVREKKUSFWAB-SFHVURJKSA-N 451.618 2.155 30 10 JEEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1c(Cl)c(C(F)(F)F)nn1C 1358937173 LEDCNOSCCMWERD-UHFFFAOYSA-N 452.828 2.449 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2C[C@@H](C)CN2CCN(CC)CC2)CC1 1359041002 LKAMKIWLFQWUHH-SFTDATJTSA-N 457.667 2.031 30 10 JEEE C=C(Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOC)[C@H](CC)C1)c1ccccc1 1359138913 HHLYRUPKWKNCEZ-FCHUYYIVSA-N 473.643 2.441 30 10 JEEE C=CCC(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1359191455 ZWXIVFQGBOTNJM-KRWDZBQOSA-N 460.604 2.213 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCS(=O)(=O)NC(C)C 1359239647 TZDBVPVYHQULGH-QGZVFWFLSA-N 470.640 2.343 30 10 JEEE C=CCn1c(COc2ccccc2OCC)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1359289773 JXJWOHZCKVATKH-TZIWHRDSSA-N 468.602 2.431 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 1359298049 KROSEEBQIQUSDO-MRXNPFEDSA-N 454.556 2.243 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(Cc2ccccc2)C[C@@H]1C 1359331942 KWSWLLCNYZUUKT-RBBKRZOGSA-N 473.643 2.484 30 10 JEEE C=CCn1c(S)nnc1-c1sc(NC(=O)[C@H](NS(=O)(=O)C2CC2)C(C)C)nc1C 1464910170 KXUJTSQBGXGTSV-GFCCVEGCSA-N 456.619 2.230 30 10 JEEE CCC1(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CC(=O)N2CCOCC2)CCOCC1 1497786764 BTAFITKINMFIGU-UHFFFAOYSA-N 452.559 2.319 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1CCCCCS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 1507627041 CEXONGDMLALORD-IBGZPJMESA-N 478.640 2.095 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@@H]1OCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1507628469 WUOFHUAXULIDOH-ICSRJNTNSA-N 458.584 2.396 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@H]1CCCCN1CC)[C@@H]1CCS(=O)(=O)C1 1507629724 WHNSBVUWVHLITI-NHCUHLMSSA-N 471.627 2.455 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H](C)Oc1ccccc1OC)[C@H]1CCS(=O)(=O)C1 1507637610 LJOOUYNKEYKYOW-BBTUJRGHSA-N 474.583 2.232 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCN(CCc2ccccc2)C1 1507668773 CQLSQGZKIJZMFY-ZEQRLZLVSA-N 479.650 2.208 30 10 JEEE C#CCN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1Cc1cn(C2COC2)nn1 1507689072 HATRKQKHDATAOW-UHFFFAOYSA-N 470.578 2.063 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CCOC[C@@H]1OC 1507704393 ZMUJDEYKDGHUCX-YJBOKZPZSA-N 466.380 2.184 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2CCN(C)C2CCCC2)CC1 1507740332 LUEGTHKTYBGERI-UHFFFAOYSA-N 497.669 2.110 30 10 JEEE C=C(Br)Cn1c(N2CCC[C@@H](S(C)(=O)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1507793116 NWKKDTISMRFWIP-CRAIPNDOSA-N 477.425 2.241 30 10 JEEE C=C(Cl)Cn1c([C@H](C)OCCOC)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1507856868 FSZGPLNRYLJQLI-JKSUJKDBSA-N 451.959 2.152 30 10 JEEE C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N(C)C2CCCCC2)CC1 1507935359 OEVQFPWJEFABJI-OAQYLSRUSA-N 471.650 2.499 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1508073960 QEVXTOCGYWUYIL-KDURUIRLSA-N 478.601 2.183 30 10 JEEE C=CCOc1ccc(Cn2c(CN3CCCC3=O)nnc2N(C)CC(=O)NC(C)(C)C)cc1 1508104777 NHSLPDAWYZGYTQ-UHFFFAOYSA-N 454.575 2.365 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 1508142803 VHEFBXCJGRQJIA-MSOLQXFVSA-N 483.635 2.472 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](c2cccc(F)c2)C1 1508144375 DDYZGIHMIVPAPE-MJGOQNOKSA-N 450.536 2.100 30 10 JEEE CC(=O)NC[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCOC2=O)C1 1508355527 BPRDYYKZRCZZDG-LJQANCHMSA-N 451.531 2.012 30 10 JEEE CC(C)(C)Cc1nnc(N2CCO[C@@H](C#N)C2)n1CCCN1CCN(c2ccncc2)CC1 1508605462 FFOCAGHFXHZZKQ-NRFANRHFSA-N 452.607 2.203 30 10 JEEE N#Cc1ccc(N2CCN(c3nnc(CNC(=O)c4cccs4)n3CC(F)(F)F)CC2)nc1 1521101442 BVMMDWPUQWVXCG-UHFFFAOYSA-N 476.488 2.425 30 10 JEEE C=CCn1c(SCC(=O)N2C[C@H]3[C@H](OC)CS(=O)(=O)[C@H]3C2)nnc1-c1ccc(Cl)cc1 1529204532 RXAGGRFROHIEIW-BBWFWOEESA-N 483.015 2.147 30 10 JEEE C=CCc1ccc(OCC(=O)N2CCO[C@H](CN3C(=O)c4ccccc4C3=O)C2)c(OC)c1 1534225712 YVTOTUDRKAGIHW-SFHVURJKSA-N 450.491 2.326 30 10 JEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H](C)N1CCC(C)CC1 1539153880 BWWACOHQRIJNFJ-LJQANCHMSA-N 458.632 2.385 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1539206604 SFEUQWBEBBFVGK-VAWZGJIGSA-N 464.632 2.382 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN(C)[C@@H]1c1cccs1 1539267291 YHZWOCJOWLRTLH-ZVDOUQERSA-N 471.652 2.398 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@]1(O)CCC[C@H]1C 1539304948 KARBSNKYHVLEDX-NTKDMRAZSA-N 469.611 2.209 30 10 JEEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CN(Cc2ccccc2)CCCO1 1539340575 PVNYKGXBFKBFHG-JOCHJYFZSA-N 450.587 2.265 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc4c(s3)CC[C@H](C)C4)n2CCS(=O)(=O)CC=C)CC1 1539437716 HCNYTQRTTOHCFY-SFHVURJKSA-N 473.668 2.487 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2Cc2csc([C@@H](C)OC)n2)CC1 1539475820 OUXMYDKROCNHQJ-OAHLLOKOSA-N 453.572 2.451 30 10 JEEE C#CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@H](NC(=O)CC)C1 1539511092 QBAYIGDVODKXFJ-INIZCTEOSA-N 465.583 2.455 30 10 JEEE C#CCSCCn1c(N2CCC[C@@H](NC(=O)OCC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1539531763 ZIMDSGFJGOMMJT-XMSQKQJNSA-N 465.620 2.400 30 10 JEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](c2ccccc2)N2CCOCC2)CC1 1539873771 DDPWBJQKZRSELS-DENIHFKCSA-N 488.658 2.364 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1540863059 OJOXWEACDRBNSM-VDGAXYAQSA-N 459.522 2.244 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1540867428 WCCXGPHDWJBYHP-WMLDXEAASA-N 473.375 2.067 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCC[C@H]1c1nncn1C 1540900670 DFUQZXOBXPJQLI-KRWDZBQOSA-N 457.560 2.025 30 10 JEEE CC(=O)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCCCC2)CC1 1540970039 GBOIYWWKLBEEQS-UHFFFAOYSA-N 452.559 2.483 30 10 JEEE CCS(=O)(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1CC1(C(=O)N(C)C)CCCC1 1548307992 GNVDGLGNXRWZGE-UHFFFAOYSA-N 472.615 2.336 30 10 JEEE N#Cc1ccc(N2CCC3(CC2)C[C@@H](C(N)=O)N(C(=O)c2ccncn2)C3)cc1C(F)(F)F 1548379989 NHNVQZRFUIEFRZ-SFHVURJKSA-N 458.444 2.354 30 10 JEEE C#C[C@@H](NC(=O)N1CCN([C@@H]2CCCN(c3cc(C)nn3C)C2=O)CC1)c1ccc(F)cc1 1564995664 DXISECDDXQTXRU-NHCUHLMSSA-N 452.534 2.065 30 10 JEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@H](CCSC)NS(=O)(=O)c1ccc(C)cc1 1583820580 IIESJIUPFPAAQA-SFHVURJKSA-N 454.614 2.199 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)c(Br)c1 1587638477 FMWLEOHPKMDGCV-HIFRSBDPSA-N 467.389 2.458 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@@](C)(O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1588035769 XRQGIGNJESMEEP-DNVCBOLYSA-N 484.420 2.069 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CC=CCO1)[C@@H]1CCS(=O)(=O)C1 1588073965 GNQYIFSPXPQBEY-UAFMIMERSA-N 462.616 2.169 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1588099156 IIGFJSRDLNFSFO-BGYRXZFFSA-N 483.638 2.309 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCNC(=O)OC(C)(C)C 1588219115 LVOQYFGUOYMGQY-UHFFFAOYSA-N 475.553 2.180 30 10 JEEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccccc1CN1CCC(O)CC1 1588262740 KODXXSUKGJMZJF-UHFFFAOYSA-N 473.581 2.390 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2Cc2ccc(NC(C)=O)cc2)CC1 1588930159 ORHDIILLBUIQDD-JOCHJYFZSA-N 464.570 2.492 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCC(=O)NCCC)CC1 1588947695 SYXOWBSBHKFWEW-UHFFFAOYSA-N 471.005 2.404 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C)nnc1N1C[C@@H](C(=O)OC)[C@H](CNC(=O)OC(C)(C)C)C1 1589494488 LZPLBVAVWMHXKI-MANSERQUSA-N 463.579 2.318 30 10 JEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2nccc(C(F)(F)F)n2)CC1 1594192364 HMRUNFLOKHQTRB-ZDUSSCGKSA-N 473.525 2.342 30 10 JEEE C=CCC(C)(C)Cn1c(N2CCC3(CC2)NC(=O)N(C)C3=O)nnc1[C@@]1(OCC)CCOC1 1594528243 HGBBGVRSOUGLOS-HSZRJFAPSA-N 460.579 2.053 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cnn(C)c1C 1595127405 OEZJHXHUYJQYRI-OAHLLOKOSA-N 461.567 2.310 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1nncn1C 1595296992 KXQBNIXCNJDPPA-QGZVFWFLSA-N 460.583 2.208 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCN([C@@H](C)c2nc(CC)no2)CC1 1595797959 KDAKJXIURQHTAX-KRWDZBQOSA-N 477.635 2.365 30 10 JEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2OC)CC1 1595884281 JHRJYKUMHGHPOO-GOSISDBHSA-N 477.656 2.435 30 10 JEEE C=C(C)Cn1c(SCC(=O)N2CCC(N(C)S(C)(=O)=O)CC2)nnc1-c1ccco1 1597887741 IHPJPCJIWSBOAL-UHFFFAOYSA-N 453.590 2.089 30 10 JEEE C=CCC[C@H](NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)c1ccc(C(F)(F)F)cc1 1668176101 GLZSRECIVDTMQD-INIZCTEOSA-N 455.524 2.124 30 10 JEEE N#Cc1ccc(NC(=O)N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)nc1 1679568092 BYUTUWPCFIWWFO-UHFFFAOYSA-N 450.318 2.254 30 10 JEEE C#CCCCn1c(CCOc2ccccc2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1689935765 RMNWIMLPVDVHED-DEOSSOPVSA-N 450.543 2.128 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H](C)Oc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1689990109 LPWRRZCHPCWOET-IPMKNSEASA-N 476.574 2.405 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1CC(C)(C)COC)[C@@H]1CCS(=O)(=O)C1 1689996257 FYLLFMRZQWIYTI-LJQANCHMSA-N 460.600 2.465 30 10 JEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(-c2nc[nH]n2)cc1 1690025102 DZYAQAPKJQDLMK-UHFFFAOYSA-N 456.535 2.176 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCn2cc(Cl)cn2)CC1 1690110592 SCBJQBVVWQNUFD-UHFFFAOYSA-N 466.977 2.453 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CC(C)(C)C(=O)NCC)CC1 1690115038 PFTFAFXLFHKFOO-UHFFFAOYSA-N 460.586 2.253 30 10 JEEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 1690120081 FRACAXMENUZZAI-IBGZPJMESA-N 468.606 2.081 30 10 JEEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1690159920 QXHDIXFVRGZXOJ-QGZVFWFLSA-N 464.613 2.342 30 10 JEEE C#CCSCCn1c(N2CCC[C@H](C(=O)NC3CC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1690186809 UXXXXFZFKWJHTQ-MBSDFSHPSA-N 461.632 2.180 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@@H](C)S[C@H](C)C1 1690659345 QASBOBQKUCLGLR-HUUCEWRRSA-N 463.007 2.494 30 10 JEEE CC(C)(C)c1nnc(N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)n1CC(=O)NCC(F)F 1691098891 CVXCSEBTDGWYMY-UHFFFAOYSA-N 488.499 2.403 30 10 JEEE Cc1cc2cc(Cn3c([C@H]4CN(S(C)(=O)=O)CCO4)nnc3N(C)C[C@H](C)C#N)ccc2[nH]1 1693013484 CVGYNTCMXSJXMN-FOIQADDNSA-N 471.587 2.045 30 10 JEEE Cc1nn(Cc2ccccc2)c(C)c1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C[C@@H](C)C#N 1693407679 BWURYADITAZOMH-FUHWJXTLSA-N 484.630 2.394 30 10 JEEE C[C@H]1CCC[C@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CC(N)=O)CC1 1693644446 ATZPLGNCXUCZOH-XDHUDOTRSA-N 452.559 2.372 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@H](C)CN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1705565960 KYIPVDXKJHXBTI-CTNGQTDRSA-N 470.643 2.397 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCOc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1705569196 DLXRZXKDRMRHCW-LJQANCHMSA-N 489.598 2.479 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1Cc1cc2c(cc1OC(F)F)OCO2 1705587659 DMCHLQYQKBQVPP-UHFFFAOYSA-N 471.464 2.355 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CC[C@](C)(CC)O1 1705624242 VCXDZIZDZGLPHI-OFNKIYASSA-N 450.547 2.355 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCN(C)CC(F)(F)F)CC1 1705631851 BQDOPIFYTBFKFZ-UHFFFAOYSA-N 497.953 2.111 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1705649012 HDNFKSXSFVYYPL-LJQANCHMSA-N 466.561 2.309 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@H](Cc2ccccc2)OC)CC1 1705650469 RFRUZFGBKIIQBY-DEOSSOPVSA-N 472.593 2.487 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@H]2CCOC[C@@H]2OC)CC1 1705651489 YMTAZPBHMLOSRT-GMAHTHKFSA-N 481.597 2.183 30 10 JEEE C=C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(N3CCN(CC)CC3)nc2)CC1 1705762011 JHRAJWQNKFIPGJ-UHFFFAOYSA-N 452.607 2.158 30 10 JEEE C=CCCOCCn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1705827223 YEYJDINZQJCFEG-UHFFFAOYSA-N 474.993 2.364 30 10 JEEE C=CCn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1705888636 KDMJHMUQLQTYSC-LAUBAEHRSA-N 454.575 2.137 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CCC(CNC(C)=O)CC1 1705896488 OFEPLNYUFHHZCW-UHFFFAOYSA-N 475.391 2.362 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1705897233 ISYHZHWVMRRVCH-QUCCMNQESA-N 481.601 2.377 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC2(N(C)C)CCOCC2)C1 1705917954 ZSVXTDWARDRUOE-YKSBVNFPSA-N 463.623 2.211 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(Cc2cnc(C)s2)CC1 1705935790 DAMRKDOASKHAMO-IBGZPJMESA-N 480.660 2.208 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1Cc1ccnc(N2CCCCC2)c1 1706864274 HNLLZEDSXIZOOX-KRWDZBQOSA-N 472.619 2.062 30 10 JEEE CC[C@H](C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1708621058 CYWURMRFROMOMF-FPOVZHCZSA-N 465.602 2.280 30 10 JEEE CCN(c1nnc(-c2cccc(C#N)c2)n1CCC(=O)NC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1709942828 GPTOGSYPBWHDGV-SFHVURJKSA-N 458.588 2.135 30 10 JEEE CCNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1710308346 CLEPUIQEOYKQLZ-VWLOTQADSA-N 476.585 2.465 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCOC[C@H]1CCOC1 1722294458 RIFRSWTUZZIYIA-ZWKOTPCHSA-N 450.543 2.093 30 10 JEEE C#CCCCCn1c(COc2ccc(OC)cc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1722323519 VMDUJUFHECUIFL-HSZRJFAPSA-N 480.613 2.412 30 10 JEEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1722332851 PITNJMBRRZWOKQ-UYAOXDASSA-N 486.617 2.495 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CCC=C(C)C)[C@@H]1CCS(=O)(=O)C1 1722362786 BXYVUCQSPLSXDF-KNQAVFIVSA-N 450.605 2.302 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1CCC[C@@H]1OC)[C@H]1CCS(=O)(=O)C1 1722362845 PAQMZHFYGUAGRN-UFYCRDLUSA-N 488.610 2.404 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2NC(=O)CC2(C)C)n1 1722428138 RYSGQIPFUKWGBX-QFIPXVFZSA-N 486.580 2.214 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCNC(=O)c2cc[nH]n2)CC1 1722433675 AUFLYKMDNPNMEA-UHFFFAOYSA-N 460.586 2.151 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CC(C)(C)C(=O)NC)CC1 1722443094 CFYIOZZHQNIWOH-UHFFFAOYSA-N 488.596 2.073 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@H](C)CNC(=O)OC(C)(C)C)CC1 1722450398 HAKBPLREPLPIQU-IEBWSBKVSA-N 474.606 2.256 30 10 JEEE C#CCSCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[C@H](C(N)=O)C1 1722453985 GKUIKPXAKWVEGB-AWEZNQCLSA-N 464.389 2.394 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1722506756 WFCBHWINESWQMF-HUUJSLGLSA-N 464.636 2.379 30 10 JEEE C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1722519243 RPNDUUXQRMYYCK-UHFFFAOYSA-N 481.582 2.321 30 10 JEEE C=C(C)COCCn1c(-c2ccccn2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1722531749 SSZRJJNRCYGCML-UHFFFAOYSA-N 450.547 2.366 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCSc2nccs2)CC1 1722565840 CMBHQVOFCVZVLV-MRXNPFEDSA-N 484.673 2.406 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1[C@@H]1C[C@H]1C 1722653845 FEYIOHWSSFFSAU-AHRSYUTCSA-N 461.588 2.393 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(OC)CCOC1 1722654543 PRLJCOFVUAPEBL-AUSIDOKSSA-N 476.599 2.187 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1722694382 UHRFPTXHCWNSDP-IBGZPJMESA-N 491.600 2.077 30 10 JEEE C=CCNC(=O)Cn1c(N[C@H](C)[C@H](OC)c2ccccc2Cl)nnc1[C@@H]1CCS(=O)(=O)C1 1722704487 UNZXUMZBFYMJEG-CLCXKQKWSA-N 482.006 2.324 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC2(O)CCS(=O)(=O)CC2)C1 1722717971 OZMXFWVHHJLZJK-SFHVURJKSA-N 466.991 2.320 30 10 JEEE CC(=O)N1CCN(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCCC2(C)C)CC1 1722799282 OXRRKZDFPFSXCE-UHFFFAOYSA-N 451.575 2.272 30 10 JEEE CC(C)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCc2cnn(C)n2)CCO1 1723235770 HVTHBVAACYCQRL-OAQYLSRUSA-N 450.547 2.351 30 10 JEEE CCCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1728197458 DHDVXLULSQSMQS-UHFFFAOYSA-N 498.389 2.155 30 10 JEEE COc1cc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCN2CCOC[C@@H]2C)cc(OC)c1OC 1729969572 ATKLCJSSVMSMEE-HJPURHCSSA-N 474.537 2.134 30 10 JEEE CSC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCCN(S(C)(=O)=O)CC2)CC1 1731067468 GIAXCDUYHOWTMI-UHFFFAOYSA-N 476.628 2.096 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCN1C[C@H](C)O[C@@H](C)C1 1740551689 LQSZKDHVTBZYFQ-ACRUOGEOSA-N 466.634 2.409 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCN1C[C@H](C)O[C@H](C)C1 1740551701 LQSZKDHVTBZYFQ-NJYVYQBISA-N 466.634 2.409 30 10 JEEE C#CCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1740587368 HTWNCLHJDQKFJJ-SFHVURJKSA-N 453.572 2.014 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@](C)(O)CCC)[C@@H]1CCS(=O)(=O)C1 1740627992 MEIXMWKDPNXJRN-VGOFRKELSA-N 464.563 2.174 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1CC1(CCOCC)CCCC1)[C@@H]1CCS(=O)(=O)C1 1740628304 XCORLPINUMWJNJ-VQTJNVASSA-N 464.632 2.396 30 10 JEEE C=C(C)COCCn1c(Cc2ccccc2OC)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1740793722 LCLDVLWLFPXTCB-JOCHJYFZSA-N 482.585 2.237 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1740954999 UXGRWOCLTPMISX-QGZVFWFLSA-N 469.546 2.144 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N(C)C1CCN(CCn2cccn2)CC1 1740956985 XQEOXJJLJVHWRU-UHFFFAOYSA-N 484.008 2.093 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCc2cn[nH]c2)C1 1740981457 OTXOTMPERMAGJH-RTBURBONSA-N 473.578 2.334 30 10 JEEE CCCNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCOCC2)C1 1745761887 BKUQMRVJOGJMHN-QFIPXVFZSA-N 465.602 2.282 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@]2(O)CCC[C@@H]2C)c1 1748690331 QQCAOWRHVWWQPJ-BXKMTCNYSA-N 452.559 2.024 30 10 JEEE C#CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1748718059 MVSHJEALLDOVEZ-MHECFPHRSA-N 472.590 2.106 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1cccc(OCC)c1)[C@H]1CCS(=O)(=O)C1 1748812544 VXYNOSIPCKMEAK-FQEVSTJZSA-N 451.552 2.414 30 10 JEEE C=C(C)COCCn1c(-c2ccccc2F)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1749221186 ZQCBVOMLYVDBTK-MRXNPFEDSA-N 454.510 2.209 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC(Cn2ccnn2)CC1 1749680731 PCYXQDUXIQQUMJ-UHFFFAOYSA-N 464.574 2.284 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(CC)C2CC2)cc1 1749685253 BXHWGMSDVRDUQP-FQEVSTJZSA-N 461.588 2.213 30 10 JEEE C=CCOc1ccccc1Cn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1749690431 XFBBFECSMBPKLH-UYAOXDASSA-N 455.559 2.254 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1749735250 QILPVSAZTCMIPZ-UHFFFAOYSA-N 466.652 2.194 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cccc(OCC(=O)N(C)C)c1 1760098849 AOYZUFRYQMFZPF-CLOONOSVSA-N 469.586 2.292 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H]1CCOc2ccccc21 1760115654 BDQWWBBCOYABCV-UEXGIBASSA-N 473.599 2.025 30 10 JEEE C#CCN(C)c1nnc(-c2ccc(Br)cc2)n1CCN/C(O)=C1/N=CC=CC1=O 1760167100 CIMFTSXQUSSWLA-ZPHPHTNESA-N 455.316 2.303 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC(=O)NCC(F)(F)F 1760209007 RNZDPSRXANODCA-UHFFFAOYSA-N 480.878 2.003 30 10 JEEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1760224325 GRBXWPPGFJXRCT-NRFANRHFSA-N 459.554 2.286 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2CCc2ccc(F)c(F)c2F)CC1 1760257064 NSIMGINNKBPIGA-INIZCTEOSA-N 451.493 2.417 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccc(F)cc1)N(C)C 1760290009 URTNXTMXMFAJKG-GTCCEBARSA-N 462.595 2.322 30 10 JEEE C=C(Cl)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1760368695 KESUOAHRYONVAP-JKSUJKDBSA-N 467.935 2.062 30 10 JEEE C=C(Cl)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1760374717 WMYYQSVUNDXHJT-INIZCTEOSA-N 460.970 2.482 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCO[C@@H](CC)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1760558379 NGJFRBSSNFXLMI-KSZLIROESA-N 483.635 2.265 30 10 JEEE C[C@@H]1OCC[C@@]1(O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@](F)(C#N)C1 1763273637 GWZVGQBYISAWJU-RZTYQLBFSA-N 464.542 2.332 30 10 JEEE CN(C)C(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1768437865 FONTVWXSHJIJGG-QGZVFWFLSA-N 477.491 2.190 30 10 JEEE COc1cc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCN2CCOCC2)ccc1O 1862594451 SXMGTDYSIYKSHE-OAQYLSRUSA-N 454.479 2.017 30 10 JEEE CN1CCN(C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)C2CCN([C@H](C#N)c3cccs3)CC2)CC1 1868782448 IWHFFKHYFUPKNK-DHIUTWEWSA-N 495.649 2.232 30 10 JEEE O=C([C@H](CSCc1ccccc1)N=C1NS(=O)(=O)c2ccccc21)N1CCC(O)CC1 1869927865 GGCVKGDNYMBTAD-IBGZPJMESA-N 459.593 2.010 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)N[C@H](C)c2ccccc2)cn1CCNC(C)=O 1870412373 OFKLMLDUTUASDT-HXUWFJFHSA-N 466.582 2.415 30 10 JEEE C=CCN(CC=C)c1nc(=NCCCN(CC)CC)[nH]c(=Nc2ccc3c(c2)C(=O)N(C)C3=O)[nH]1 1871633375 ZPSKSOYKOOZFHR-UHFFFAOYSA-N 478.601 2.007 30 10 JEEE N#Cc1c(NC(=O)COc2nonc2CC(=O)Nc2ccc3c(c2)OCO3)sc2c1CCC2 1872664560 HZPFWBTUWIKDHQ-UHFFFAOYSA-N 467.463 2.419 30 10 JEEE C=CCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NC[C@@H](C)O)ncnc21 1875229717 CHYGBGPSQMMSEM-QGZVFWFLSA-N 450.543 2.381 30 10 JEEE CCN1CCN(CC#CCOC2CCN(C(=O)c3cncc(Br)c3C)CC2)CC1 1889332862 HAXJQVHOBDLQOS-UHFFFAOYSA-N 463.420 2.415 30 10 JEEE Cc1nn(C)c2nc(C(C)(C)C)cc(C(=O)N3CCC(OCC#CCN4CCN(C)CC4)CC3)c12 1889459374 AYTNMQYSFCTOHT-UHFFFAOYSA-N 480.657 2.446 30 10 JEEE CC(C)N1C(=O)CS[C@H](C(=O)NCc2ccnc(N3CCOCC3)c2)[C@@H]1c1ccc(C#N)cc1 1892063417 COXUWRAUKNXWIL-ZEQRLZLVSA-N 479.606 2.500 30 10 JEEE CC(C)(C)OC(=O)NCC(CNC(=O)OC(C)(C)C)NS(=O)(=O)CC1(C#N)CCCC1 2006286516 GONOFJHHWIDTGO-UHFFFAOYSA-N 460.597 2.408 30 10 JEEE CCSC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2060642087 QXWJHODVCQUKOS-CQSZACIVSA-N 452.386 2.361 30 10 JEEE COCC[C@@H](CNC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2255645555 PRBUDHBVHFEDCI-ZDUSSCGKSA-N 455.386 2.102 30 10 JEEE Cc1c(C(=O)N2CC(N(C)C(=O)OCc3ccccc3)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2255816166 AALWKKBYMHRQQG-UHFFFAOYSA-N 468.363 2.121 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)N(C)Cc1cc(B2OC(C)(C)C(C)(C)O2)cs1 2256613922 KOMRCFRHISBLOW-XJKSGUPXSA-N 454.398 2.280 30 10 JEEE C[C@@H]1C[C@@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)CCN1C(=O)OC(C)(C)C 2256627550 WFHUQRAAJGIAGW-OLZOCXBDSA-N 452.386 2.233 30 10 JEEE CN(C(=O)OC(C)(C)C)[C@@H](CC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)C(F)F 2256637961 XMWTUWKWILYMQQ-JTQLQIEISA-N 462.328 2.088 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2[C@@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2267279127 HRMFVRAUCBFBIC-DXEWXGHRSA-N 464.393 2.458 30 10 JEEE C=C(CS(=O)(=O)NC[C@@H]1C[C@@H]2COC[C@@H]2N1C(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2267721522 GRDSKONZTKAZBA-IKGGRYGDSA-N 472.413 2.118 30 10 JEEE C=C(CS(=O)(=O)NC[C@]1(F)COCCN(C(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2267723941 BFZFTUMAIUVFJT-HXUWFJFHSA-N 478.392 2.069 30 10 JEEE C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@H](C)c1nscc1B1OC(C)(C)C(C)(C)O1 2268639368 OCCTZVXGJPJKKN-DVOMOZLQSA-N 469.413 2.236 30 10 JEEE C[C@@H](c1nscc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C 2268641588 BXIRTPSEJQHUMK-UONOGXRCSA-N 469.413 2.237 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)Nc1nc(B2OC(C)(C)C(C)(C)O2)ccc1Cl 2268652133 DNWRWCBGMDGCBK-JSGCOSHPSA-N 467.759 2.343 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCN(c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C[C@@H]1CO 2269004293 BSGRHKKWVOAYEA-RHSMWYFYSA-N 451.348 2.232 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(F)c2B2OC(C)(C)C(C)(C)O2)C[C@@H](O)C1 2281774126 WNVWPGWIBZZNMJ-OAHLLOKOSA-N 464.343 2.179 30 10 JEEE Cn1ncc(C(=O)N[C@@H]2[C@@H]3CCCCN(C(=O)OC(C)(C)C)[C@@H]32)c1B1OC(C)(C)C(C)(C)O1 2281825612 ARSXIWBESDHXHS-UAGQMJEPSA-N 460.384 2.237 30 10 JEEE C[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)N(C(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)C1 2281830514 MSHKZFMYSXGSHG-JKSUJKDBSA-N 462.400 2.485 30 10 JEEE Cn1nc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C2CC2)cc1B1OC(C)(C)C(C)(C)O1 2281961181 JVKFGZPZKMIQDB-YJBOKZPZSA-N 460.384 2.237 30 10 JEEE Cc1c(C(=O)N2CCCN(C(=O)OC(C)(C)C)C[C@@H]2C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281983977 BDNUCNXYIJPYTO-HNNXBMFYSA-N 462.400 2.499 30 10 JEEE CC(C)(C)OC(=O)N1CC[S@@](=O)(=NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C(C)(C)C1 2281984322 BWKQOFBDESPRGA-XIFFEERXSA-N 482.412 2.346 30 10 JEEE CCc1nc(C(=O)NC2(COC)CN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2282018578 YTMFMZZDGZZASP-UHFFFAOYSA-N 481.424 2.370 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@H]2CCN(C(=O)c3ncsc3B3OC(C)(C)C(C)(C)O3)C[C@@H]21 2282022522 UMRNTOBJMIUXEM-LSDHHAIUSA-N 479.408 2.293 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1CCN(C(=O)OC(C)(C)C)C12CC2 2282043809 PGKFIHNSQJSHJR-OAHLLOKOSA-N 460.384 2.239 30 10 JEEE CC1(C)OB(c2c[nH]c(C(=O)N3CC[C@](CNC(=O)C(F)(F)F)(C4CC4)C3)c2)OC1(C)C 2282054393 PZZVMZGGTRZONG-HXUWFJFHSA-N 455.286 2.235 30 10 JEEE Cn1cc(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@@H]2C(F)F)c(B2OC(C)(C)C(C)(C)O2)n1 2282586069 UCSHKJPTACPJSM-WMZOPIPTSA-N 460.334 2.215 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@@](F)(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2282627798 PWOFMCQVKBHXHP-JOCHJYFZSA-N 467.347 2.019 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@H]2CNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282842681 BIHMOJBTQMAXEO-YCPHGPKFSA-N 499.464 2.117 30 10 JEEE CC1(C)OB(c2ccccc2S(=O)(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)OC1(C)C 2282862946 KULHAQZGPURSSJ-HXUWFJFHSA-N 472.416 2.165 30 10 JEEE CC(C)(C)OC(=O)NC[C@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(O)cc1O)C1CC1 2282992416 SFKCOVLSVDKCSS-INIZCTEOSA-N 462.352 2.430 30 10 JEEE COC[C@@H](ONC(=O)OC(C)(C)C)C(=O)N1CCc2cc(B3OC(C)(C)C(C)(C)O3)ccc21 2283945485 BLZLZJLWDOJGJY-GOSISDBHSA-N 462.352 2.346 30 10 JEEE COC[C@@]1(C(=O)N[C@@H]2CCC=C2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)CCO1 2283960246 WASBVDZLEYMVFA-UZUQRXQVSA-N 466.384 2.475 30 10 JEEE Cc1sc(CNC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1C 2283979434 NHQMKBKYSMVFQY-AWEZNQCLSA-N 481.424 2.049 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CCC(N)=O)C(=O)Nc1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2284124434 GHLWEFAXBVFIAW-INIZCTEOSA-N 465.331 2.222 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2OCC[C@]2(C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2296392047 MSGJPQXYHOATFO-HJPURHCSSA-N 459.352 2.345 30 10 JEEE COC(=O)c1[nH]c(C)c(C(O)=C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2cc(OC)ccc2OC)c1C 2297060009 WUYJQSHTSRHQGX-NRFANRHFSA-N 485.537 2.419 30 10 JEEE CC(C)(C)OC(=O)N[C@]1([C@@H](O)C#CC(C)(C)S(C)(=O)=O)CCN(Cc2ccccc2)C1 2301487077 MXXMCOKMTKKLGP-WMZHIEFXSA-N 450.601 2.343 30 10 JEEE CO[C@H]1[C@@H](C(=O)N2CC[C@H](B3OC(C)(C)C(C)(C)O3)C2)N(C(=O)OC(C)(C)C)C[C@H]1OC 2342485730 OFXBQGCVQIXXTK-VVLHAWIVSA-N 454.373 2.330 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C2)n1C 2362338808 HBHQQMNIXIBEIW-GASCZTMLSA-N 462.400 2.498 30 10 JEEE C[C@H]1C[C@H](CNC(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)CCN1C(=O)OC(C)(C)C 2362357311 YEFQBMSOZAZEOM-JKSUJKDBSA-N 462.400 2.485 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H]3C[C@@]3(CNC(=O)OC(C)(C)C)C2)n1C 2362481198 QWOIJTLTYPMAIF-NPMXOYFQSA-N 460.384 2.015 30 10 JEEE COc1ccc([C@H]2c3c(nc(NCc4ccc5c(c4)OCCO5)[nH]c3=O)NC(=O)[C@H]2C#N)cc1OC 72472449 WNUCTWPZYAFNSL-MGPUTAFESA-N 489.488 2.394 30 10 JEEE COC(=O)c1[nH]c(C)c(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccccc2F)c1C 103091821 VXGLJBKMSSYWCE-DQVIVYRFSA-N 485.512 2.311 30 10 JEEE Cn1c(=O)c2c(nc(N/N=C(/C(=O)O)c3ccccc3)n2C/C=C/c2ccccc2)n(C)c1=O 104344819 MDOVKAOSVUNNHC-MPRFVGHVSA-N 458.478 2.048 30 10 JEEE CCOC(=O)[C@@H]1CCCN(c2nc(O)c3c(n2)NC(=O)[C@H](C#N)[C@H]3c2ccc(OC)cc2OC)C1 256032439 DVYXPJLTKWUYTH-MZMPZRCHSA-N 481.509 2.203 30 10 JEEE O=C1[C@@H]2[C@@H](C(=O)N1OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[C@H]1C=C[C@H]2C1 504082592 PNXSDOXXIOPXPY-AXMZGBSTSA-N 461.258 2.481 30 10 JEEE CN(c1cccc(B2OC(C)(C)C(C)(C)O2)c1)S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 704367735 JDUGZALKVDQJIJ-UHFFFAOYSA-N 484.383 2.438 30 10 JEEE CCCCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CCc1ccccc1 729668215 BHGBGRMCDNZIAL-UHFFFAOYSA-N 471.586 2.220 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2Cc2c(CC)nn(C)c2OC)c1 1286309983 QTZRKCRZCVFXSA-UHFFFAOYSA-N 487.568 2.088 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CCc1ccccc1C)[C@@H]1CCS(=O)(=O)C1 1286383051 VGZNBXUIGFVKQV-OAQYLSRUSA-N 471.627 2.374 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1cccc(CN(CC)CC)c1)[C@@H]1CCS(=O)(=O)C1 1286390004 VBALFJCTWUZWFY-HSZRJFAPSA-N 495.653 2.195 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@](C)(O)CCC(C)C)[C@@H]1CCS(=O)(=O)C1 1286391429 DKLWNJAZHHBLMB-NFBKMPQASA-N 459.616 2.078 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2ccc(F)cc2)n1CCNS(=O)(=O)c1ccc(C)s1 1286409931 VXJKLRNDWSENDJ-UHFFFAOYSA-N 471.583 2.429 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN1CCC(C)CC1 1286426221 OIHDWKCDSJMNKI-UHFFFAOYSA-N 457.582 2.387 30 10 JEEE C#CCN(CC#CC)c1nnc(COc2ccc(C#N)cc2)n1CC1(CS(C)(=O)=O)CC1 1286433317 BWWPIUYMQSHSSB-UHFFFAOYSA-N 451.552 2.016 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCC(=O)NC(C)(C)C 1286470062 PDRWGJQXHDFEDR-HDICACEKSA-N 476.622 2.440 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc(Cl)cc3)n2C[C@@H]2COCCO2)n1 1286471773 QKBWCFODEYWFFD-OAQYLSRUSA-N 470.961 2.497 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCCN2CCOCC2)CC1 1286486175 BYHCPSMSNVIAAC-UHFFFAOYSA-N 471.005 2.287 30 10 JEEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1286507554 JZYKAZXYBCUWLB-UHFFFAOYSA-N 487.699 2.135 30 10 JEEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1286690331 PPFUZJXLMNJMAU-UHFFFAOYSA-N 476.578 2.130 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1286778741 AACOQUYBYISJEY-AEFFLSMTSA-N 474.993 2.268 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1286794115 XCMXUKLWPAYYNB-NNMXDRDESA-N 482.633 2.394 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 1286816453 JFTBXCQXMVZGLS-SFHVURJKSA-N 485.566 2.012 30 10 JEEE CC[C@@H](C)N(C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2C#N)CC1 1291773046 DXISHRZIGFCVEZ-TZIWHRDSSA-N 485.658 2.109 30 10 JEEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](c2ccnn2C)C1 1297695878 CLJOGVVKNFOUKY-IBGZPJMESA-N 453.572 2.369 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1CCN(Cc2cccs2)CC1 1300270546 DAAGIULNJOYPPT-DLBZAZTESA-N 464.661 2.320 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H]1CCCCS1(=O)=O 1300304404 NOVHCBUTXLBSIO-IRXDYDNUSA-N 468.583 2.100 30 10 JEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 1300338864 INJYWDISRACLPN-SJORKVTESA-N 468.624 2.137 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CC(=O)N(C)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1300489595 PTFHZGYAHMVIEH-OAQYLSRUSA-N 499.637 2.372 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCN(C(C)C)C(C)C)[C@H]1CCS(=O)(=O)C1 1300501708 NDIQQBUULKKSIN-FQEVSTJZSA-N 478.688 2.379 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CC1CCC(F)(F)CC1)[C@@H]1CCS(=O)(=O)C1 1300505721 GQOJKBNFXZWLOF-OTWHNJEPSA-N 486.585 2.454 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCOC1CCOCC1 1300562992 CKXATBMNLVHGSX-UHFFFAOYSA-N 470.595 2.397 30 10 JEEE C#CCN(CC)c1nnc(Cc2cn3ccccc3n2)n1CCNS(=O)(=O)c1ccc(C)s1 1300629835 GPKLSHYRMJORJY-UHFFFAOYSA-N 483.623 2.325 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCN(C)CCCOC)CC1 1300711154 TUJYVTLEBIZZNN-NRFANRHFSA-N 489.665 2.074 30 10 JEEE C#CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@H](C)O[C@H](COC)C1 1300734184 SUCWNSOOJWHSQU-LPHOPBHVSA-N 478.018 2.468 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](c2ccc(F)cc2)O[C@H](C)C1 1300952217 OCRPXPXVEPBYTR-NSISKUIASA-N 479.578 2.293 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(Cc2cc(C)on2)CC1 1301483701 UUKVDYJHEIWIGG-UHFFFAOYSA-N 487.511 2.467 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1301489774 BJYSZVWTIPIWCD-CQSZACIVSA-N 464.357 2.110 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1301493430 YGKZOUCGTHQIQP-UHFFFAOYSA-N 480.491 2.151 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]1c1cccc(C)c1 1301588914 LTHCTBJCEIMKMY-UXHICEINSA-N 478.640 2.431 30 10 JEEE C[C@@](O)(Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1)c1ccsc1 1303879893 BXSCWUBIKYRJPE-JOCHJYFZSA-N 486.623 2.258 30 10 JEEE C[C@H]1CCCN([C@@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCNC(=O)CC2)C1 1305028603 HKHUTCREIZFIFS-OALUTQOASA-N 451.575 2.175 30 10 JEEE CC[C@H](C)[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C)OC 1305351105 DFYAJWJVSGPCKJ-JPLJXNOCSA-N 454.579 2.220 30 10 JEEE Cc1cc(C(=O)NC2CCN(C(=O)NC3CCN(Cc4cccc(C#N)c4)CC3)CC2)no1 1312943982 DCWPQGFEINOROU-UHFFFAOYSA-N 450.543 2.423 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H](C)N1CCN(CC)CC1 1358874702 AZRKLKKFRCRWHF-MOPGFXCFSA-N 486.690 2.031 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cn(C)c3ccccc23)n1CCNS(=O)(=O)Cc1ccon1 1358883955 FRSTYHFVTTYINS-MRXNPFEDSA-N 467.555 2.002 30 10 JEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 1358904562 GUZRFRMNTYVGCG-IAGOWNOFSA-N 468.624 2.043 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1CCCCN1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1358960362 CQNMHBVVEHFLMF-RBBKRZOGSA-N 470.643 2.479 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1ccc(N(CC)CC)nc1)[C@@H]1CCS(=O)(=O)C1 1358964616 CHHMQQKCQWCZSJ-JOCHJYFZSA-N 493.637 2.180 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@H](C)N1CCOCC1 1358987519 JWQPWWMDGJZJHC-IBGZPJMESA-N 467.570 2.155 30 10 JEEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1359089760 OTKZCKFCFODUMY-ABSDTBQOSA-N 470.412 2.212 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1359294683 BAPHUIQWIRKPIG-UHFFFAOYSA-N 455.607 2.144 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N(C)Cc1cc(F)c(F)c(F)c1 1359326786 JSUMGWIDFQQCJO-UHFFFAOYSA-N 459.494 2.071 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](Oc2ccccn2)C1 1359329129 ZMTODVOKKHDCEM-HXUWFJFHSA-N 464.551 2.470 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CC[C@H](COc2ccccc2)C1 1359331447 ZJQFSSHDLRNXGI-SFHVURJKSA-N 456.572 2.185 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1359332371 WBSLWZVKCQKRKQ-DLBZAZTESA-N 467.617 2.116 30 10 JEEE C#CC[C@@H](NC(=O)c1cccc(S(=O)(=O)Nc2cc(Cl)ccc2OC)c1)C(=O)OC 1468872611 JLGHDSDVGAUURB-MRXNPFEDSA-N 450.900 2.444 30 10 JEEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1501194278 GZKZJZLPXQKACW-SFHVURJKSA-N 453.547 2.446 30 10 JEEE CN(c1nnc(-c2cccc(C#N)c2)n1CC1(C)CCOCC1)C1CCN(S(C)(=O)=O)CC1 1503413616 BVNPVYSZJVPBKW-UHFFFAOYSA-N 472.615 2.494 30 10 JEEE COc1cc(Cl)ccc1-c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CCCS(=O)(=O)C1 1504109171 HOJYQPKRTXRZGN-GOEBONIOSA-N 465.963 2.161 30 10 JEEE COc1ccccc1OC[C@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H](C)C#N 1504428328 HUHHJQUCIRTEOV-KZNAEPCWSA-N 461.588 2.500 30 10 JEEE COCCN(CCC#N)c1nnc(-c2cc(OC)ccc2Br)n1C[C@@H]1COCCO1 1504882946 BJPGAYPNMSAPKL-MRXNPFEDSA-N 480.363 2.498 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2Cc2nnc(CC)s2)c1 1507549085 FFNBTBGACDZQDV-UHFFFAOYSA-N 461.555 2.197 30 10 JEEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CC[C@H](F)C1)[C@H]1CCS(=O)(=O)C1 1507626476 OCQJXEDAXVLXOJ-NEWSRXKRSA-N 494.614 2.114 30 10 JEEE C#CCN(c1nnc(-c2ccccc2F)n1CC[S@@](=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1507629556 NYQJAHTZLWKDLF-BEIWTESXSA-N 466.604 2.258 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1CCCCN1C[C@H](C)C[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1507630531 BJMQHTRGCLXJGB-NJDAHSKKSA-N 485.658 2.120 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1cccc(C(OC)OC)c1)[C@H]1CCS(=O)(=O)C1 1507630852 IWCBAYGNJJEFOL-IBGZPJMESA-N 469.567 2.240 30 10 JEEE C#CCN(c1nnc(CSc2ccc(C)cc2)n1C[C@H](F)COC)[C@H]1CCS(=O)(=O)C1 1507638519 RSRSNBBWGPDTQD-ROUUACIJSA-N 466.604 2.490 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1Cc1cnccc1OC)[C@H]1CCS(=O)(=O)C1 1507640061 OKONTWMMARQLRC-FQEVSTJZSA-N 481.578 2.244 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1507659913 ILUOIQHRVXQPJU-HTAPYJJXSA-N 476.986 2.084 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(Br)c3)n2CCN2CCOC[C@H]2C)CC1 1507718577 QPRPJRLFKSGJDC-GOSISDBHSA-N 473.419 2.184 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCCOc1ccccc1 1507869094 RHOCISOAQOCDKV-SFHVURJKSA-N 469.995 2.269 30 10 JEEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1507956790 GVWUQGXNBMTWQY-UHFFFAOYSA-N 469.546 2.342 30 10 JEEE C=CCN(CCOC)c1nnc(-c2cn(C)c3ccccc23)n1CCN1CCN(C(C)=O)CC1 1508040709 XYHBRERWHIBHEH-UHFFFAOYSA-N 465.602 2.240 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 1508091279 TVYJAQWQJZJDSI-FQEVSTJZSA-N 458.538 2.296 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC[C@@H](CN2CCCC[C@@H]2C)C1 1508141490 VUEYUZBPEXVBHR-PMACEKPBSA-N 473.647 2.427 30 10 JEEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(C)cc2)C(=O)C1 1508166641 CTKRFQOHOHRBJD-UHFFFAOYSA-N 454.600 2.481 30 10 JEEE CN(C[C@H]1CCOC1)c1nnc(COc2ccc(C#N)cc2)n1CCS(=O)(=O)C(C)(C)C 1517240486 DWLPZMCSWHNHMU-GOSISDBHSA-N 461.588 2.415 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@H](C)CN1CCOCC1 1539025405 HXMBUNJGBDELLB-BJKOFHAPSA-N 479.673 2.069 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2CC2(N(C)C)CCOCC2)c1 1539045242 BEECOTLZCGGQAP-UHFFFAOYSA-N 487.608 2.431 30 10 JEEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1539084973 GPPHXCTZEODGGT-FPOVZHCZSA-N 466.590 2.046 30 10 JEEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1539120211 SKBKBWDFGUEWFU-ROUUACIJSA-N 459.620 2.123 30 10 JEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1539126466 VTOWFTXSKMXWGP-DLBZAZTESA-N 451.593 2.039 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H](C)N(C)C1CC1 1539299489 IYMKTMFTPVRQMQ-SFHVURJKSA-N 467.643 2.492 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCN(C)c2ccccc2)CC1 1539427646 GAJAPSRYHPIKIR-UHFFFAOYSA-N 458.570 2.207 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCSCCCO)CC1 1539470503 RYGUEPXDXIDKHL-UHFFFAOYSA-N 495.447 2.117 30 10 JEEE C#CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1539526388 ITHSWRZHSGSFIZ-APWZRJJASA-N 457.556 2.167 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCOc1ccc(Cl)cc1 1539705105 PARXGCBMUPVQBR-SFHVURJKSA-N 469.995 2.356 30 10 JEEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1539743938 ALKBXOVYTBCDFF-INIZCTEOSA-N 465.576 2.002 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC=C(C)CC1 1540880940 UMAXTFAVRRTWSQ-NRFANRHFSA-N 473.599 2.381 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCc2ccn(C)n2)C1 1540892813 ROCFRYSFDGZAHS-UXHICEINSA-N 487.605 2.344 30 10 JEEE C=CCn1c(S)nnc1-c1sc(NC(=O)c2ccc3c(c2)NC(=O)CNC3=O)nc1C 1542967838 SDHDRPWCJSOOIL-UHFFFAOYSA-N 455.525 2.119 30 10 JEEE CCOCC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1548064963 BZQXOLLEYBMHED-SFHVURJKSA-N 461.588 2.415 30 10 JEEE CO[C@]1(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCN2C[C@H](C)O[C@H](C)C2)CCOC1 1554713537 FZOPSRFMWQQMTP-GLDPYIMESA-N 454.575 2.168 30 10 JEEE COc1ccccc1SCc1nnc(N2CCO[C@@H](C#N)C2)n1CCCN1CCC(O)CC1 1555117169 AWZGEYDNHGEHND-IBGZPJMESA-N 472.615 2.155 30 10 JEEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1587701777 JYPBZYIBLCCMMB-NRFANRHFSA-N 464.618 2.334 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1Cc1cc(C)on1)[C@@H]1CCS(=O)(=O)C1 1588069826 TUCGIAABOKHRQW-LJQANCHMSA-N 455.540 2.137 30 10 JEEE C#CCN(c1nnc(COc2ccccc2OCC)n1Cc1ccc(C#N)o1)[C@@H]1CCS(=O)(=O)C1 1588070398 ZVNYDNILZLRUHH-GOSISDBHSA-N 495.561 2.395 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1588185782 MCVQFXRJYOGSMF-DENIHFKCSA-N 483.535 2.045 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCCOC2CCCCC2)CC1 1588885826 ZQCDBCATKPMVOI-UHFFFAOYSA-N 458.607 2.122 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCC[C@@H](NC(C)=O)C1 1595506777 MKOHOUQQJICHRN-LJQANCHMSA-N 470.574 2.148 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@H]2CCS(=O)(=O)C2)C1 1595745205 RERORXNUINYAMG-TZIWHRDSSA-N 460.600 2.288 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](c2ccc(OC)cc2)C1 1595754951 RNLGZEQKMYNMHM-LJQANCHMSA-N 473.599 2.117 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCC(S(=O)(=O)c2ccccc2)CC1 1595788779 JICUELFBHRTAAA-UHFFFAOYSA-N 464.613 2.199 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCc2cc(OC)c(OC)cc2C1 1595812170 ORWMCLHWPLTESL-UHFFFAOYSA-N 483.594 2.445 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1595831342 PJDGGKFBIBYBDU-GOSISDBHSA-N 494.589 2.371 30 10 JEEE Cc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@](C)(C#N)C2)c(C)c1 1612079433 CBVSLXZQFSKYST-NZQKXSOJSA-N 472.615 2.406 30 10 JEEE CN(Cc1ncc(Cl)n1C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1618011983 GAKXNBRWVDLEEX-QGZVFWFLSA-N 489.005 2.264 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2C[C@H](C)CN2CCOCC2)c1 1689872237 SCIZUCMOQFBIMQ-IRLDBZIGSA-N 480.613 2.197 30 10 JEEE C#CCCCCn1c(CCOc2ccccc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1689900928 VXILUZMPGONGSQ-FQEVSTJZSA-N 450.543 2.176 30 10 JEEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1C[C@]1(C)COCCO1)[C@H]1CCS(=O)(=O)C1 1689979745 GQTGIIPKXQEDKX-YZUZCNPQSA-N 472.611 2.252 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CC(C)(C)CN(C)C)[C@@H]1CCS(=O)(=O)C1 1689984470 PYQRHALLBVBNAR-QGZVFWFLSA-N 465.023 2.208 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(C(=O)N(C)C)CCCC2)CC1 1690132276 NPQMKWLQIBYQTN-UHFFFAOYSA-N 475.597 2.133 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C(CC)CC)N(C)C)CC1 1690375218 DECAEODHNPUUDE-PMACEKPBSA-N 468.668 2.134 30 10 JEEE C=CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@]1(O)CCS(=O)(=O)C1 1690533523 LUSIOROJKGXDLD-GOSISDBHSA-N 461.371 2.336 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCOC[C@@H]1C 1690603517 COFDSZJSTDWFJJ-UNMCSNQZSA-N 473.643 2.136 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N(CC)Cc1ccc(C(=O)N(C)C)cc1 1690670742 IDNNETZKTXOUCR-FQEVSTJZSA-N 454.575 2.203 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCN2C[C@H](C)O[C@@H](C)C2)C1 1690712008 LVGLRSPAURRDQO-FDFHNCONSA-N 457.623 2.420 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(C)Cc1cc(F)c(F)c(F)c1 1690722874 YUCZSYRJWFMZQO-UHFFFAOYSA-N 454.478 2.333 30 10 JEEE COC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CCN2[C@@H](C)CC[C@H]2C)CC1)OC 1697755301 GGMRWVDBRWPOGO-ZFGGDYGUSA-N 481.645 2.473 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1cccc(OCC(C)C)c1)[C@@H]1CCS(=O)(=O)C1 1705567026 SMAAVTVJLHEUTF-NHCUHLMSSA-N 472.611 2.492 30 10 JEEE C#CCN(c1nnc(CC)n1Cc1ccnc(OCc2ccccc2)c1)[C@@H]1CCS(=O)(=O)C1 1705570096 KGDOMQOAFRSPFG-OAQYLSRUSA-N 465.579 2.490 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCN2CCOC[C@H]2C)CC1 1705633752 XPOGJZXKMDKXOP-UXHICEINSA-N 456.566 2.033 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2C[C@@H]2C[C@H](F)CN2Cc2nccn2C)CC1 1705644856 DKUXTCYJHOWWBO-JBACZVJFSA-N 484.624 2.104 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2CCCCN2CCC[C@H]2CO)CC1 1705645903 IXUBEENMOFCBPX-QHCPKHFHSA-N 464.614 2.148 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2Cc2cccc(CN(C)C)c2)CC1 1705652823 OQKCUJULIJWMAC-JOCHJYFZSA-N 450.587 2.205 30 10 JEEE C#CCSCCn1c(C2CCC2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1705660217 PRSGSCRUGRLKMD-UHFFFAOYSA-N 466.658 2.188 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CC(=O)NCC)CC1 1705697170 SMYLALXMLFUJSA-GHTZIAJQSA-N 474.009 2.233 30 10 JEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1705729450 YLPGBGPZUCXPJX-SBUREZEXSA-N 460.579 2.210 30 10 JEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1705829884 FBSZXQGYICPZLY-KRWDZBQOSA-N 481.022 2.148 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1705899281 NKWRNDCEIQHUDZ-CQSZACIVSA-N 482.404 2.023 30 10 JEEE C=CCOc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@@H]2C)cc1 1705911562 LCRIKBKQVSMVIG-FXAWDEMLSA-N 461.588 2.213 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1nc2ccccc2s1 1705934815 YHNLMVHODLYSNS-HNNXBMFYSA-N 460.585 2.076 30 10 JEEE CS(=O)(=O)CCCn1c(CC2CCCC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1712696959 FRGHCWHILPOJAK-UHFFFAOYSA-N 457.604 2.039 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@@]1(O)CCS(=O)(=O)C1 1722283539 VPTNMJSVZRJHGV-XIKOKIGWSA-N 487.807 2.369 30 10 JEEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2nccnc2C)CC1 1722320567 BYKSMZUUPOULDM-UHFFFAOYSA-N 464.599 2.498 30 10 JEEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCNc1nccc(C(F)(F)F)n1 1722349973 HXLKZOLDDJYOSO-UHFFFAOYSA-N 483.458 2.182 30 10 JEEE C#CCN(c1nnc(-c2ccccc2F)n1CCN1CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1722361275 GPOJMIZMPKVCEV-RTBURBONSA-N 459.591 2.443 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1CCN1CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1722362422 NNACDCHJFXISBI-ICSRJNTNSA-N 487.626 2.073 30 10 JEEE C#CCN(c1nnc(C2CCCC2)n1Cc1ccc(S(C)(=O)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1722369022 UZTCHHOPIIBAQT-LJQANCHMSA-N 476.624 2.014 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1CC1([S@](C)=O)CCC1 1722420421 JGGSVEUDRVPZHH-NDEPHWFRSA-N 468.421 2.433 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccccc3Br)n2CC(=O)NCC(F)(F)F)CC1 1722435106 BJYJKHBUPNAGAR-UHFFFAOYSA-N 485.308 2.141 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@](C)(O)c2cccs2)CC1 1722446925 BNVJNUULOCJTDA-MBSDFSHPSA-N 457.600 2.107 30 10 JEEE C=CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1722607505 WGNKJHITHHOZFE-IBGZPJMESA-N 454.531 2.401 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2C[C@H](F)COC)C1 1722713843 JSKHQVQWHFJDDO-DLBZAZTESA-N 456.522 2.441 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](Oc2ncccc2F)C1 1722727303 KAIJBWMKUDQINM-MRXNPFEDSA-N 460.535 2.456 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1CCN(C)Cc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1740621515 MPLYAEHLZBPQLJ-NRFANRHFSA-N 484.601 2.181 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H](C)CN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1740623961 BHDFGRVAZHXBBX-RBBKRZOGSA-N 470.643 2.013 30 10 JEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1C[C@H](C1CC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1740625612 ORZBJJZURBHPIB-LEWJYISDSA-N 476.046 2.489 30 10 JEEE C#CCN(c1nnc(CCOc2ccccc2)n1CCN1CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1740626001 UUVKMHOMURNYJS-SFTDATJTSA-N 471.627 2.011 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCc1ccccc1OCC)[C@H]1CCS(=O)(=O)C1 1740626198 KFOSCDHJXFRIBU-UXHICEINSA-N 458.584 2.050 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1CC1(N(C)C)Cc2ccccc2C1 1740646492 AYLMAGAEKQPUCO-HHHXNRCGSA-N 461.610 2.492 30 10 JEEE C#CCN(CCOC)c1nnc(Cc2ccncc2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1740686771 MKCNTZRXTCXJGI-FQEVSTJZSA-N 461.570 2.018 30 10 JEEE C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N(C)CCCOc1cccc(S(C)(=O)=O)c1 1740777998 YZPNBLCNNYYKHB-UHFFFAOYSA-N 461.588 2.399 30 10 JEEE C=C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)N2CCSCC2)CC1 1740821360 IETVGDXDIQVYLU-UHFFFAOYSA-N 458.613 2.352 30 10 JEEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 1740886088 VLZVXGUWKBURIU-AZUAARDMSA-N 458.607 2.297 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1740953459 GVSVQZHOAPWWHL-INIZCTEOSA-N 475.456 2.118 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 1740960267 OLCXRSGBFOXZTN-INIZCTEOSA-N 456.503 2.040 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N(C)Cc1nc(C(F)(F)F)cs1 1740992851 UVUPJBMEEBVDGV-GFCCVEGCSA-N 465.523 2.495 30 10 JEEE C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1ncnn1CC(F)F)N1CCOCC1 1741835495 COYFRBMBTZLDGX-MRXNPFEDSA-N 471.516 2.030 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1cccn(CC)c1=O 1748646601 BFFUGMPCDABFJC-INIZCTEOSA-N 467.599 2.234 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CCn2cc(Cl)cn2)c1 1748692777 OENNNHCLLFNHAP-UHFFFAOYSA-N 463.933 2.285 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1cccc(C(=O)N(C)C)c1)[C@H]1CCS(=O)(=O)C1 1748815488 QRZNXFANWJNJRT-NRFANRHFSA-N 492.605 2.025 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC[C@@H]2CCO[C@H](C)C2)CC1 1749003590 ODOULRBGOCDDHB-YPCDYVTLSA-N 487.645 2.490 30 10 JEEE C#CCSCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1749047530 YHUKXMQGGCMTMX-FQEVSTJZSA-N 471.627 2.472 30 10 JEEE C=C(Cn1c(C(=O)NC(CC)CC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1)c1ccccc1 1749242524 KUSQBYYGVSPJFF-FQEVSTJZSA-N 479.585 2.383 30 10 JEEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 1749427043 KHXYTGXNLNWKCV-KRWDZBQOSA-N 463.629 2.479 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1749660058 NGYCFGKFEXDOFZ-SFHVURJKSA-N 484.601 2.396 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1749660512 RUYFHTCNQVQRIB-SFHVURJKSA-N 485.585 2.429 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCO[C@@H](CCC)C1 1749667108 SYVJQKCORHHAEB-SFHVURJKSA-N 479.585 2.373 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCC(C(=O)N2CCCC2)CC1 1749671541 DOYRBJGGAWYYCV-UHFFFAOYSA-N 454.550 2.149 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CC[C@H](N2CCCC2=O)C1 1749725556 SCESUFWBKFZVSZ-SFHVURJKSA-N 463.991 2.400 30 10 JEEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(-c2ccccn2)n1CC[S@](=O)C(C)(C)C 1752280561 FQGFKLABDFOPDI-WGLOFEKDSA-N 479.614 2.264 30 10 JEEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1760129394 LRUTYKGNTFYORD-OAHLLOKOSA-N 463.464 2.234 30 10 JEEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1760141390 SPQONFAHYZENKT-UHFFFAOYSA-N 466.634 2.078 30 10 JEEE C#CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1760148082 NXPTURXHUPNWGQ-GOSISDBHSA-N 475.615 2.484 30 10 JEEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCNc1nccc(C(F)(F)F)n1 1760164943 FFTHXHCJBSJQMC-LJQANCHMSA-N 453.469 2.309 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@H](C)Cc1cccs1)[C@H]1CCS(=O)(=O)C1 1760184728 YHEUBDRXRZKSLK-MSOLQXFVSA-N 498.634 2.492 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC1(OC)CCCCC1)[C@H]1CCS(=O)(=O)C1 1760186118 ANPCAOBEPFAQNJ-MOPGFXCFSA-N 450.605 2.148 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@@H]1COc2ccccc2O1)[C@@H]1CCS(=O)(=O)C1 1760187469 WDRGNSXRQLXJRH-QZTJIDSGSA-N 458.584 2.333 30 10 JEEE C#CCSCCn1c(-c2ccccc2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1760278416 UDIXXIFWMIHQOA-HXUWFJFHSA-N 452.628 2.444 30 10 JEEE C=C(Br)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C)C(=O)[C@@H]1C 1760308639 MXCFYEJSVBZMBR-GJZGRUSLSA-N 499.410 2.162 30 10 JEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 1760450706 PVQNFPLCOBPSDT-SFHVURJKSA-N 493.655 2.105 30 10 JEEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 1760465120 XIQFXURLLVDQNZ-SJORKVTESA-N 453.609 2.450 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CC[C@H](OCCOC)C1 1760519443 DJYZGIPMBXPUJV-HNNXBMFYSA-N 464.364 2.252 30 10 JEEE CCN(CC)c1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@](C)(C#N)C2)cn1 1764929771 ACMPNIUFPUIFLP-HTAPYJJXSA-N 474.635 2.308 30 10 JEEE CCN(CCc1cccs1)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1766849815 GRFZZUQXPMPKCF-JOCHJYFZSA-N 471.608 2.497 30 10 JEEE COc1ccc(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@H](C)CN2CCOCC2)cc1 1768732960 AYTGBYLPYPSHQQ-FDDCHVKYSA-N 458.538 2.276 30 10 JEEE CSCC[C@H](NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(=O)N1CCC(CO)CC1 1868784652 XVLUNEHEILGMOG-VQTJNVASSA-N 478.684 2.494 30 10 JEEE Cc1ccc(Cn2nnc(C#N)c2NC(=O)CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 1870112000 LDWILMXXOBVJRQ-UHFFFAOYSA-N 459.422 2.040 30 10 JEEE N#Cc1ccc(COc2cn(Cc3ccccc3F)c(CN(CCO)CCO)cc2=O)cc1 1870350480 IDGMBJHMOACEEH-UHFFFAOYSA-N 451.498 2.273 30 10 JEEE C=CCn1ncc(NCCn2cc(I)cn2)c(Br)c1=O 2153472343 AESLIUYVSXFYBJ-UHFFFAOYSA-N 450.078 2.105 30 10 JEEE Cc1cc(Br)c(N)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N 2162920611 FVEOEYKALFOFDB-LBPRGKRZSA-N 459.366 2.473 30 10 JEEE C[C@@H]1CC[C@@](NC(=O)OC(C)(C)C)(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2256665020 INAVKGNGXHBIKV-ODXCJYRJSA-N 452.386 2.281 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](CO)[C@H](NC(=O)c2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2267241301 HFAONHGLYOXUAJ-GOEBONIOSA-N 466.409 2.395 30 10 JEEE CC(C)(C)OC(=O)N1CC([S@](C)(=O)=NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267275918 VAFGPYGPNIYWQY-YTTGMZPUSA-N 465.381 2.238 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)c(F)c2)C1 2267352548 LNGKPHUBPAYCQV-CQSZACIVSA-N 470.372 2.413 30 10 JEEE CC(C)(C)OC(=O)N[C@]1(C(=O)O)CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2267528988 WJBVIAZMEWSVBS-OAQYLSRUSA-N 466.365 2.241 30 10 JEEE CC(C)(C)OC(=O)N[C@]1(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)CCOC1 2268631506 ZBZILBWLHMRVKN-OAQYLSRUSA-N 451.304 2.142 30 10 JEEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@H](C(=O)N=c1nc(B3OC(C)(C)C(C)(C)O3)[nH]s1)C2 2268640986 KREIFPCVJADBJH-BTTYYORXSA-N 464.397 2.376 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@]2(C[C@@H]2C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2268705516 IHRARXISSYMGNC-ASSNKEHSSA-N 464.397 2.235 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CC(NS(=O)(=O)c2cncc(C#N)c2)C1 2271977727 CMJIFZCBXVUPLK-UHFFFAOYSA-N 481.575 2.088 30 10 JEEE Cc1nn(C)c(C(=O)N2C[C@@H]3CCN(C(=O)OC(C)(C)C)[C@@H]3C2)c1B1OC(C)(C)C(C)(C)O1 2281983484 UZPRXOXMANUKLF-JKSUJKDBSA-N 460.384 2.109 30 10 JEEE Cc1nn(C)c(C(=O)N2CCCN(C(=O)OC(C)(C)C)C[C@H]2C)c1B1OC(C)(C)C(C)(C)O1 2281985511 KDUMCBJYVQTHJK-OAHLLOKOSA-N 462.400 2.499 30 10 JEEE C[C@H]1CC[C@@H](CNC(=O)OC(C)(C)C)N(C(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)C1 2282033921 AOPIXSVGEPUZTE-HOTGVXAUSA-N 462.400 2.485 30 10 JEEE Cn1cc(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 2282035778 ZNBLXAAHUUHYNW-NVXWUHKLSA-N 460.384 2.191 30 10 JEEE C[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1nn(C)c(Cl)c1B1OC(C)(C)C(C)(C)O1 2282036643 LQQRBKXOVYEHJW-QWRGUYRKSA-N 478.708 2.044 30 10 JEEE CCn1cc(C(=O)NC2CC3(C2)CN(C(=O)OC(C)(C)C)C3)nc1B1OC(C)(C)C(C)(C)O1 2282039212 RPQGJDSRMABQNC-UHFFFAOYSA-N 460.384 2.332 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCCC12CN(C(=O)OC(C)(C)C)C2 2282039407 VAIWPQZYTQOFEM-INIZCTEOSA-N 460.384 2.239 30 10 JEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC[C@@H](NC(=O)C(F)(F)F)[C@H](C)C1 2282308049 MAGSNRVFPYDQGA-DGCLKSJQSA-N 496.382 2.433 30 10 JEEE CN(Cc1nc(NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)n[nH]1)C(=O)OC(C)(C)C 2282332658 FCPKKILGXHCWMJ-UHFFFAOYSA-N 499.424 2.333 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC1(CCO)CN(C(=O)OC(C)(C)C)C1 2282593415 QDRGUYJIIZZGFQ-UHFFFAOYSA-N 481.424 2.100 30 10 JEEE Cc1c(C(=O)N[C@@H]2C[C@@H]3[C@@H]2CCN3C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282593600 SSMHCLYFPRJUEQ-BZUAXINKSA-N 460.384 2.155 30 10 JEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC2(CNC(=O)OC(C)(C)C)CCCCC2)n1 2282616155 XNQONIJXJYFEHE-UHFFFAOYSA-N 463.388 2.072 30 10 JEEE Cn1nc(C(=O)NC[C@@H]2C[C@H]3CC[C@H]2N3C(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2282626549 CHJBHGQVJSJHGY-ZMSDIMECSA-N 460.384 2.237 30 10 JEEE CN(C[C@H]1CCCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)C1)C(=O)OC(C)(C)C 2282627871 KFXMTAHEPWTCPD-MRXNPFEDSA-N 462.400 2.438 30 10 JEEE C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)CO1 2283952065 DPZQZUSPDLBOBH-CJNGLKHVSA-N 465.331 2.483 30 10 JEEE Cc1nc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H]2CCCO2)ncc1B1OC(C)(C)C(C)(C)O1 2284043234 XHTLINUSVDAPFP-HOTGVXAUSA-N 462.356 2.095 30 10 JEEE CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N1CCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C1 2284140743 ZKOJWXCCZFFPHC-LJQANCHMSA-N 460.380 2.146 30 10 JEEE CC(C)(C)OC(=O)NCc1cn(CCNc2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)nn1 2287068204 HHGVSDVHPOEGKQ-UHFFFAOYSA-N 458.372 2.296 30 10 JEEE Cn1cnc(C(=O)N2CCC([C@H]3CN(c4ccc(C#N)c(C(F)(F)F)c4)C[C@@H]3C(N)=O)CC2)c1 2297650321 LHAIUWPWDZGPCB-MSOLQXFVSA-N 474.487 2.401 30 10 JEEE COCCc1nnc(SCC(=O)OC)n1N=Cc1cc(Br)c(O)c(OC)c1 2331293736 WMSAWSWHBMHDKT-UHFFFAOYSA-N 459.322 2.091 30 10 JEEE C[C@H]1[C@H](NC(=O)C(F)(F)F)[C@H](C)CCN1C(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2337329599 DTFYAGAEHFESDI-NTZNESFSSA-N 461.315 2.360 30 10 JEEE CN(C(=O)OC(C)(C)C)[C@@H]1CN(C(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)CC1(C)C 2361506880 SLEMTCSKWZBWDI-MRXNPFEDSA-N 462.400 2.437 30 10 JEEE Cn1ncc(C(=O)N2CC(F)(F)[C@](C)(NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2361916514 SIZTYQLLFHSZPI-HXUWFJFHSA-N 470.326 2.094 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@]2(CF)CCN(C(=O)OC(C)(C)C)C2)n1C 2362324458 RZFZSLVVPFPYBV-JOCHJYFZSA-N 466.363 2.107 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@H](CCNC(=O)OC(C)(C)C)C2)n1C 2362332433 NHVRXIGIEGETPR-INIZCTEOSA-N 462.400 2.405 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(C)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1F 2369668349 BGSHLTNKLUWDRL-LSDHHAIUSA-N 466.363 2.057 30 10 JEEE CCOc1ccc(NC(=O)CSc2nnc(N/N=C/c3ccc(OC)c(O)c3)n2N)cc1 21316552 NWBWGNFLMOEZIH-SSDVNMTOSA-N 457.516 2.282 30 10 JEEE COc1ccc(/C(C)=N/Nc2nnc(SCC(=O)Nc3cccc([N+](=O)[O-])c3)n2N)cc1OC 21317265 RZAFOEKYPHHQMX-FSJBWODESA-N 486.514 2.484 30 10 JEEE CCOC(=O)N1CCN(c2c(/C=C3/SC(=S)N(C(C)C)C3=O)c(C)c(C#N)c(=O)n2C)CC1 33460094 FHXRPIPOCABKFT-GZTJUZNOSA-N 489.623 2.454 30 10 JEEE COc1ccc(C(=O)N=C2S[C@@H]3CS(=O)(=O)C[C@H]3N2c2ccc3c(c2)OCCO3)cc1 254392651 WAEXPAPVNSYIEA-VQIMIIECSA-N 460.533 2.382 30 10 JEEE CCOC(=O)c1ccc(NC(=O)COc2ccc(C=NNc3nc(=O)[nH]nc3C)cc2OC)cc1 263629760 GMPNSGFDOJGZIJ-UHFFFAOYSA-N 480.481 2.122 30 10 JEEE COC(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)OC 504589053 XWFDREYZNGAQBP-PYABCIFOSA-N 491.625 2.389 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)[C@H](C)[S@](=O)CCN3C(=O)c4ccccc4C3=O)cc21 586354100 UMVDFJCYESCPSP-NJHFVCTFSA-N 466.515 2.214 30 10 JEEE CC1(C)OB(c2ccc(NS(=O)(=O)CCN3C(=O)c4ccccc4C3=O)c(F)c2)OC1(C)C 704369027 WQGLKZZNUNXEIS-UHFFFAOYSA-N 474.319 2.163 30 10 JEEE CCOC(=O)CCc1c(C)[nH]n(-c2c(F)c(F)c(-n3ncc(C#N)c3N)c(F)c2F)c1=O 1088735612 YPFLXMCJQGFECE-UHFFFAOYSA-N 452.368 2.166 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCC(=O)N1CCCCC1 1286278338 CEMNLGKMKMFFHH-GOSISDBHSA-N 472.615 2.056 30 10 JEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CCO)Cc1cc(Br)ccc1F 1286350118 VKKHWZZTWSQWRS-HNNXBMFYSA-N 499.406 2.494 30 10 JEEE C#CCCCn1c(N2CCN([C@H](C)C(=O)NC3CC3)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1286359647 GKEAOPGVDNYGAM-SBHAEUEKSA-N 499.660 2.251 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1nc(C)c(C)s1)[C@@H]1CCS(=O)(=O)C1 1286396042 UYCKANGEKMRTOL-GOSISDBHSA-N 456.597 2.012 30 10 JEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCN(C)C(C)C 1286400357 DGGBPEKEAXQQFE-UHFFFAOYSA-N 455.632 2.350 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1COCCO1 1286431710 XWHJSSRZVCZFOF-PMACEKPBSA-N 457.575 2.271 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCc2cccs2)CC1 1286486849 CAMLXMZNNYUAMD-HSZRJFAPSA-N 457.600 2.200 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Cl)n2C[C@H]2CCCN2CCCO)CC1 1286489463 UCJMDFSXPVTDOL-HXUWFJFHSA-N 485.032 2.411 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2Cc2ccnc(OC(F)F)c2)CC1 1286491530 VYUIJAJPTHJRTG-UHFFFAOYSA-N 481.507 2.274 30 10 JEEE C=C(Cl)Cn1c([C@H]2CCCO2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1286634342 UPCTUFWYFGTFEP-CQSZACIVSA-N 458.997 2.158 30 10 JEEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C)=C(Br)C1 1286706138 KQIQBIUMQWJRFY-AWEZNQCLSA-N 462.414 2.360 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1C[C@H](C)O[C@H](COC)C1 1286784810 UOOITWNMRFYADG-GJZGRUSLSA-N 464.364 2.250 30 10 JEEE C=CCOc1ccc(Cn2c(N3CCN(C(=O)OC)CC3)nnc2[C@]2(OCC)CCOC2)cc1 1286797600 ZUCJVKAHGIEGBH-DEOSSOPVSA-N 471.558 2.432 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1286816819 LZTFBYQSLOSAKR-OAQYLSRUSA-N 480.598 2.467 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCS(=O)(=O)CC 1300303166 ITKIPLJITNALJX-SJORKVTESA-N 453.609 2.285 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@](C)(O)c1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 1300488818 WKDRPHLDXAEBBC-XXBNENTESA-N 488.013 2.471 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1CCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1300489284 LKSYCWFLNCQIFA-GOSISDBHSA-N 478.018 2.330 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CCc1cc(C)ccc1OC)[C@@H]1CCS(=O)(=O)C1 1300497401 BBQDTVMDHTVJJV-JOCHJYFZSA-N 479.606 2.450 30 10 JEEE C#CCN1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCCN(C(C)C)C(C)C)CC1 1300697810 KCCDOBMUXWVYSG-UHFFFAOYSA-N 490.656 2.456 30 10 JEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCn2cc(Br)cn2)CC1 1301104939 BVTPNIFSGKRMDZ-AWEZNQCLSA-N 486.440 2.340 30 10 JEEE C=CCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1301240571 CRDPNWZFSONHCE-GBXCKJPGSA-N 477.613 2.398 30 10 JEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(n2ccc(C(F)(F)F)n2)CC1 1301509769 NAVVYVWYCSTTTA-UHFFFAOYSA-N 491.522 2.499 30 10 JEEE C=CCNC(=O)Cn1c(N2CCCN(c3ccccc3C#N)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1301519219 NJZMFIVHCRKFGN-AREMUKBSSA-N 493.612 2.209 30 10 JEEE C=CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC(=O)N(C)[C@H](C)C1 1301611126 GQDHNKVTQRGXRS-SJORKVTESA-N 480.635 2.173 30 10 JEEE C=CCOc1cccnc1C(=O)N1CC[C@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 1302896656 ABYQFBQSARLSAX-JZXOWHBKSA-N 458.515 2.301 30 10 JEEE N#Cc1ccc(OCc2nnc(N3CCC[C@@H](C(N)=O)C3)n2C[C@@H]2CCN(CC(F)(F)F)C2)cc1 1302993868 HFIWTVIFKRFAPS-QZTJIDSGSA-N 491.518 2.315 30 10 JEEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)CC1 1359037066 UINHEMJGTYXNTN-LJQANCHMSA-N 453.591 2.275 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCOc2ccc(Cl)cn2)CC1 1359043238 NAWKPLZWPRRNID-UHFFFAOYSA-N 467.961 2.377 30 10 JEEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1359050859 FKPYERFMMAPTRA-NRFANRHFSA-N 485.610 2.156 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC[C@@H](CNC(C)=O)C2)nnc1[C@]1(OCC)CCOC1 1359104531 CJUPBPUUMJZNOO-XARGGIHNSA-N 461.607 2.264 30 10 JEEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 1359228373 ATPMOHSLUONKQW-SFHVURJKSA-N 462.595 2.487 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1359295125 QQWSZXBBAYAPNF-FQEVSTJZSA-N 494.415 2.025 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(Cc1ccnn1C)C1CC1 1359328452 DOILUYCJEHWMTR-UHFFFAOYSA-N 451.556 2.320 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCN(Cc2cc(C)no2)CC1 1359334994 WTZZPJYHUQYLIH-UHFFFAOYSA-N 476.628 2.150 30 10 JEEE C=CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1359336557 URJISEHJHYQWNY-FQEVSTJZSA-N 455.650 2.131 30 10 JEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1359343544 VLLQAPOQRMMTDA-IRXDYDNUSA-N 466.633 2.250 30 10 JEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@H](CO)c3ccc(F)cc3)nnc12 1472569072 QMQYUCFUPDKGET-QGZVFWFLSA-N 453.499 2.311 30 10 JEEE COc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1CCN(C)CC(F)(F)F 1504440827 GFWKYOMSOFFKPA-OAHLLOKOSA-N 454.453 2.089 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCc1c[nH]nc1C 1507522078 TVOWEJREVOCQBK-MRXNPFEDSA-N 455.588 2.318 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccnc2OCC)c1 1507550113 FXTFWZHZNYARCB-FQEVSTJZSA-N 473.537 2.127 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC(F)F)c(F)c1 1507654124 WEKRWANYJFUZOS-HNNXBMFYSA-N 452.458 2.042 30 10 JEEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1507685413 PTWCLAVYIBVICR-MRXNPFEDSA-N 459.480 2.265 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@H](C)N2CCN(CC)CC2)CC1 1507722574 AKKIXCOTFPBZCF-HXUWFJFHSA-N 456.038 2.380 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2Cc2ccc(NC(N)=O)cc2)CC1 1507739918 LTTCABCROCHUBY-UHFFFAOYSA-N 477.594 2.435 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2Cc2cc(OC)ccc2OC)CC1 1507742523 KXEWQYIBDYLJFP-UHFFFAOYSA-N 474.565 2.295 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[C@H](OCC)C(C)C)CC1 1507884613 KMSCWTWUXAJFDF-OALUTQOASA-N 455.625 2.219 30 10 JEEE C=CCn1c(-c2cccc(OC)c2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1508048422 RQSNOWKAVPPWFX-UHFFFAOYSA-N 460.585 2.416 30 10 JEEE C=CCNC(=O)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CC[C@@](C)(C(N)=O)C1 1508071663 CVAWGAFFTWHNDV-HSZRJFAPSA-N 465.583 2.381 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1508087060 ANFSOQDJHJOIIY-VNTMZGSJSA-N 488.633 2.414 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CC(=O)NCC(F)F)C1 1508113517 HAABTIQKMUXZDV-MRXNPFEDSA-N 457.485 2.498 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H](C2CC2)N(C)C)C1 1508117519 OHJGIJBLUXQBSB-PZJWPPBQSA-N 459.616 2.470 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CC(=O)N(C)C[C@H]1C 1508133200 DRWCHSIEWOBMJT-GOSISDBHSA-N 499.593 2.385 30 10 JEEE C=CC[C@@H]1CCN(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)C1 1533762080 GLHXIBJDXQOZFZ-QGZVFWFLSA-N 453.992 2.378 30 10 JEEE C#CCCCCn1c([C@H]2CCCOC2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1539071760 DHMNJGCBNPBCKR-GOTSBHOMSA-N 458.651 2.207 30 10 JEEE C#CCN(c1nnc([C@@H](C)OCCOC)n1CC1(C)Cc2ccccc2C1)[C@H]1CCS(=O)(=O)C1 1539204710 CHPKPEOTZSCJEW-KNQAVFIVSA-N 486.638 2.434 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCCOC[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1539210929 FJFMLEONAFRFLZ-PKOBYXMFSA-N 494.017 2.063 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1Cc1cccc(C(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 1539215603 GUIQBTBQCLDJTC-QGZVFWFLSA-N 476.484 2.429 30 10 JEEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2cc(C)ccc21 1539751114 GWMZCMWXEXDIEJ-FQEVSTJZSA-N 461.588 2.206 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(F)cc2)CC1 1539751425 NAVACIPDCDEPOQ-GOSISDBHSA-N 463.579 2.239 30 10 JEEE C=CCCOCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1540028025 HMFIPRZOSSWPGH-UHFFFAOYSA-N 459.938 2.107 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1540865073 USYOETFMACTOLM-QGZVFWFLSA-N 483.541 2.252 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1540865785 SFMTVVCQSAGGNM-IRXDYDNUSA-N 473.375 2.257 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1540903624 DLXNYXVRWLEFOG-HRAATJIYSA-N 481.644 2.009 30 10 JEEE C=CCSCCn1c(-c2ccccc2OC)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1540913423 ULTUFPYMQDDRIO-UHFFFAOYSA-N 484.626 2.144 30 10 JEEE CCO[C@]1(c2nnc(N3CCC(CC#N)CC3)n2C[C@@H](C(C)C)N2CCOCC2)CCOC1 1547887616 AONKTVWYLSEGRB-XUZZJYLKSA-N 460.623 2.417 30 10 JEEE CN(Cc1ccc(C#N)cc1)c1nnc(CNC(=O)c2cccs2)n1CCCS(C)(=O)=O 1554150969 DAAHFYVQJGOQNW-UHFFFAOYSA-N 472.596 2.212 30 10 JEEE Cc1cc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)ccc1C#N 1561404835 ALFLPHALSWSNJX-UHFFFAOYSA-N 457.936 2.354 30 10 JEEE CCCC[C@@H](NC(=O)[C@H](C)NC(=O)C(C)(C)C)C(=O)N1CCN(c2ccc(C#N)cc2)CC1 1586110771 BHHPLGRNIWEWAZ-GHTZIAJQSA-N 455.603 2.433 30 10 JEEE C#CCN(c1nnc(-c2ccc(OCCC)c(OC)c2)n1CC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1588045643 NRMUGIMMAARRKO-LJQANCHMSA-N 488.610 2.284 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(Br)c2)n1CCS(=O)(=O)CC 1588113248 IWADQYASLFZNEI-UHFFFAOYSA-N 465.373 2.224 30 10 JEEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(C)(C)N1CCOCC1 1588398703 IGRNAGUUIRUGDF-LJQANCHMSA-N 476.622 2.157 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCC[C@H](O)C1 1588472387 FKUNKAREYUBFQE-HQRMLTQVSA-N 463.579 2.218 30 10 JEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 1593691466 WJLPGJYMBCVQNA-SFHVURJKSA-N 462.595 2.458 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1595501009 JCCWAAPFLUVDDU-AREMUKBSSA-N 493.612 2.359 30 10 JEEE C=CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1595884048 GKDDGRMLULRXGE-HBMCJLEFSA-N 476.691 2.328 30 10 JEEE CC(=O)N1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(C#N)o2)CC12CCCCC2 1596141934 AQWTTYCIVHSECI-UHFFFAOYSA-N 453.547 2.301 30 10 JEEE CC(=O)N1CCN(CCn2c(-c3cccc(C#N)c3)nnc2N2CCC(OC(C)C)CC2)CC1 1596282085 BTBUMXUIEMFXPA-UHFFFAOYSA-N 465.602 2.375 30 10 JEEE CS(=O)(=O)NCCn1c(-c2ccc(Br)s2)nnc1N1CCC(CC#N)CC1 1620176202 ABCHUIUGMKGVKF-UHFFFAOYSA-N 473.422 2.448 30 10 JEEE CCC[C@@H](C)NC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N2CCOCC2)C1 1649632931 DFULQPMOMCZQIX-DENIHFKCSA-N 493.612 2.197 30 10 JEEE C=CCC[C@H](NC(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1)c1ccccc1 1680580879 NCFSNQCODIJGSE-ZJOUEHCJSA-N 450.605 2.375 30 10 JEEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1689916832 YFTZYZCJFBQMPM-ZWKOTPCHSA-N 453.543 2.441 30 10 JEEE C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@H]1CCSC1(C)C)[C@@H]1CCS(=O)(=O)C1 1689979837 ICKISMUJJPNTJC-RCCFBDPRSA-N 470.661 2.161 30 10 JEEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H](c1ccc(C)o1)N1CCOCC1 1690061117 RFEHYSUXWDCXDV-HYBUGGRVSA-N 457.575 2.365 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@@H]1CCCS(=O)(=O)C1 1690093508 AVJXKBSJCMOZOC-MSOLQXFVSA-N 464.563 2.468 30 10 JEEE C#CCN(CCOC)c1nnc(Cc2ccc(F)cc2)n1Cc1ccc(N2CCOCC2)nc1 1690104907 MKLXRBFDEYZZPB-UHFFFAOYSA-N 464.545 2.374 30 10 JEEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)N(C)C2CCCCC2)CC1 1690175507 YTUYSHQODOMQGP-HXUWFJFHSA-N 474.675 2.062 30 10 JEEE C#CCSCCn1c(Cc2ccsc2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1690179322 VMQQJHPRABCFFS-UHFFFAOYSA-N 485.639 2.354 30 10 JEEE C=C(Cl)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1690337231 IDFNKHJWAHHLSV-UHFFFAOYSA-N 470.969 2.303 30 10 JEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C)N2CCN(c3ccccc3)CC2)CC1 1690364806 XSVXGQZXWMSMST-SFTDATJTSA-N 487.674 2.255 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C(F)(F)F)n1 1690597025 HIQUZBQYTOUMQA-INIZCTEOSA-N 486.520 2.252 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccnc(C(F)(F)F)c2)C1 1690685637 AWVPWVMHYXAGJI-UKRRQHHQSA-N 474.509 2.132 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2C[C@H](C)C(F)(F)[C@H](C)C2)nnc1[C@]1(OCC)CCOC1 1690731113 ABTNFHQXYUCDBR-FCEWJHQRSA-N 462.563 2.259 30 10 JEEE Cc1nc(N2CCOCC2)sc1-c1nnc(N(C)C[C@@H](C)C#N)n1CC1([S@@](C)=O)CCC1 1692911447 CLGXNPAMQCMARI-BBFFTDKLSA-N 477.660 2.444 30 10 JEEE COC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](c3cccc(C#N)c3)C2)CCCC1 1697224652 HKCKYFJABFWQCL-FXAWDEMLSA-N 488.614 2.297 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCCCS(C)(=O)=O 1705491996 KLGJWFAKWXCKQK-GOSISDBHSA-N 459.620 2.125 30 10 JEEE C#C[C@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CC[C@H](C(F)F)N1CCOCC1 1705497965 KYFJHOBFNIIQMJ-PKOBYXMFSA-N 457.529 2.331 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2Cc2ccc(C)n(C)c2=O)c1 1705507127 RTYPBHVXBDWGMG-OAQYLSRUSA-N 474.565 2.284 30 10 JEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ncnc3ccsc23)CC1 1705509512 HCWHIDYVSCCPRC-MRXNPFEDSA-N 488.643 2.023 30 10 JEEE C#CCCCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1705512043 OIALCPKIKCSAQM-NRFANRHFSA-N 455.559 2.496 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@]1(N(C)C)CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1705564850 QSBOVTHVTLHMRI-SKPFHBQLSA-N 470.643 2.477 30 10 JEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCN(CC)C1CC1 1705574456 DRRFNZISBJOETC-UHFFFAOYSA-N 453.616 2.104 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1nncn1CC 1705627755 ONUDTWJIQAZJCZ-GOSISDBHSA-N 472.594 2.138 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@@H](C)COc2ccccc2OC)CC1 1705647661 KLUSENOSJAULQW-LJQANCHMSA-N 489.580 2.425 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1705902675 LEJSHRUJLNSTJA-OAQYLSRUSA-N 489.374 2.349 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1705930897 YFBFWUCINSIKAQ-HNNXBMFYSA-N 451.553 2.339 30 10 JEEE CCN(CC)CCCn1c(Cc2ccccn2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1710063115 DRTXWUVZSGTCAF-HXUWFJFHSA-N 474.617 2.373 30 10 JEEE C[C@H]1CN(CC2CCN(c3nnc(COc4ccc(C#N)cc4)n3CC(=O)N(C)C)CC2)C[C@@H](C)O1 1712850822 DQQLLPUOBMSGEF-BGYRXZFFSA-N 495.628 2.143 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCOC[C@H]1CCOC1 1722275654 ASSQRABEWRVAFT-IEBWSBKVSA-N 474.631 2.448 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2CCN(CCC)C2)c1 1722309022 IQYKBKYXUKXZEX-TZIWHRDSSA-N 463.586 2.017 30 10 JEEE C#CCN(c1nnc(-c2ccc(F)cc2Br)n1C[C@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1722361338 HKJDZWOZDFESDF-HOCLYGCPSA-N 498.422 2.424 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@@H]1CN(CC(C)C)CCO1)[C@@H]1CCS(=O)(=O)C1 1722361962 LBNJYJQIAOJPLF-YADHBBJMSA-N 485.654 2.237 30 10 JEEE C#CCN(c1nnc(-c2ccccc2)n1CC(F)(F)C1(OC)CCOCC1)[C@H]1CCS(=O)(=O)C1 1722362755 OPFGBAPVTVTAMM-IBGZPJMESA-N 494.564 2.403 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1CCC[C@H]1OC)[C@@H]1CCS(=O)(=O)C1 1722362847 PAQMZHFYGUAGRN-XUVXKRRUSA-N 488.610 2.404 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1ccc(C)cc1OC)[C@H]1CCS(=O)(=O)C1 1722366061 OOMCXLMIVYNCHH-NRFANRHFSA-N 465.579 2.256 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1Cc1nnc(CC)s1)[C@@H]1CCS(=O)(=O)C1 1722372524 YKUUOTUGCIEOEY-GOSISDBHSA-N 470.624 2.152 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@H](CC)N1CCc2ccccc2C1 1722419052 MDALJWOHJYCGMQ-QHCPKHFHSA-N 464.614 2.437 30 10 JEEE C#CCN(CCOC)c1nnc(Cc2ccc(Cl)cc2)n1CC1CCS(=O)(=O)CC1 1722427675 XNZZLUOXFYEUCY-UHFFFAOYSA-N 450.992 2.433 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)c1nc(-c2ccccc2)no1 1722429857 WYSDEOJPTUOIJQ-MJGOQNOKSA-N 484.582 2.120 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)ccc3Br)n2C[C@]2(OC)CCOC2)CC1 1722434508 TXMRGWVGHBTQNO-JOCHJYFZSA-N 490.402 2.277 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@](C)(O)c2cc(C)oc2C)CC1 1722446524 ZJZWFPIXIVTJIC-VWLOTQADSA-N 462.554 2.423 30 10 JEEE C=CCC(C)(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)CCNS(C)(=O)=O 1722590188 APKAHHLIFWCHIE-UHFFFAOYSA-N 459.576 2.182 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](c2ccccc2OC)C1 1722725184 LMVGEUUXFKTYDH-GOSISDBHSA-N 473.599 2.117 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1722728718 XRDRDCCTTQTPQJ-UHFFFAOYSA-N 453.609 2.451 30 10 JEEE CC(=O)NC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCCS2)CCO1 1722848344 HLFMOXOZJDDYGB-LEWJYISDSA-N 470.599 2.356 30 10 JEEE Cc1nn(C)c(N2CCN(c3nnc(-c4cccn4C)n3CC[S@@](=O)C(C)(C)C)CC2)c1C#N 1725865703 BCMINKPPMXQNNF-UUWRZZSWSA-N 483.646 2.071 30 10 JEEE CCCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@](C)(C#N)C2)cn1 1728217295 BJWSTZMMMBMTIO-HRAATJIYSA-N 461.592 2.250 30 10 JEEE Cn1nccc1C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCS(C)(=O)=O)CC1 1729604507 BLZACVFESLVYFS-UHFFFAOYSA-N 453.572 2.369 30 10 JEEE C#CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1740567462 RKFUSGQSKRSWQO-KRWDZBQOSA-N 493.033 2.135 30 10 JEEE C#CCN(c1nnc(C2CC2)n1CCN(CCC)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1740623672 YYQZTLVVVZTBLR-SFHVURJKSA-N 465.620 2.429 30 10 JEEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1740667413 CCKVCDNGFVKXSE-GOSISDBHSA-N 497.600 2.181 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCCn2ccnc21 1740680469 COWSRSCJGMLOEA-HXUWFJFHSA-N 497.625 2.056 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1nccc(C(F)F)n1 1740681023 WEGDCXQDIKKCJY-UHFFFAOYSA-N 476.509 2.211 30 10 JEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC(OC[C@@H]2CCCCO2)CC1 1740719990 OJQAMKOPLNWPAQ-FQEVSTJZSA-N 461.632 2.321 30 10 JEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2csc(C)n2)CC1 1740786668 LIZCMFIUCUQZKW-UHFFFAOYSA-N 459.620 2.194 30 10 JEEE C=C(C)COCCn1c(N2CCN(C3CCOCC3)C[C@H]2C)nnc1[C@@]1(OCC)CCOC1 1740799464 MRUJQVGVGUMGDG-HYBUGGRVSA-N 463.623 2.212 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)NC[C@H]2C1 1740799726 UICGJKTWGNGWMI-ROUUACIJSA-N 475.594 2.157 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1)C(C)C 1740926833 LOSMUXHBGIMHOH-LGVFNWMJSA-N 477.675 2.496 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1740954596 BUQYPHRUPXVLJK-IBGZPJMESA-N 494.600 2.389 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCO[C@]2(CCOC2)C1 1740964192 KKAXJYKCYPSADR-OAQYLSRUSA-N 482.368 2.462 30 10 JEEE CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCOC[C@@H]2CCOC2)[C@H](C)C1 1741046216 ZBOFHAZAKGOQHA-NQIIRXRSSA-N 452.559 2.317 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1[C@H]1C[C@H](c2ccccc2F)C1 1741131897 HVCJSHHTUXGBTG-BOSXTWCSSA-N 476.578 2.465 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C(C)(F)F)c1 1748672078 QCIOHHWERZJVBU-QAPCUYQASA-N 467.542 2.229 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(CC)CC2)c1 1748693096 XTGJFCUDSARZBQ-GOSISDBHSA-N 455.584 2.427 30 10 JEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1COc2ccccc2O1 1748789436 JTVZEFPASCYBSV-MSOLQXFVSA-N 469.542 2.496 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CCc1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 1748804467 IDQGSBXNCZXREX-RDGATRHJSA-N 486.638 2.497 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@H](CCC)OC)[C@H]1CCS(=O)(=O)C1 1748805096 OFJKJMIQXUIEFL-HOTGVXAUSA-N 484.420 2.478 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCCCN1CC)[C@H]1CCS(=O)(=O)C1 1748809136 QNPUDASBMRQJDG-SFTDATJTSA-N 486.598 2.354 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CCCN1CCCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1748819923 URXGFPWKWOZLMV-IRLDBZIGSA-N 470.643 2.155 30 10 JEEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1Cc1snnc1C)[C@@H]1CCS(=O)(=O)C1 1748820779 IQVKJTORZREWKY-GOSISDBHSA-N 486.623 2.309 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@](C)(O)c1cccs1 1748831670 SSGXAEYTGFKPSP-QHCPKHFHSA-N 483.619 2.237 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCS(=O)(=O)CC2CC2)CC1 1748977951 GCCTXJXRRRWXRJ-UHFFFAOYSA-N 479.553 2.127 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2CC2([S@](C)=O)CCC2)CC1 1748978590 NSEMVNPUQMMBJY-LJAQVGFWSA-N 479.448 2.103 30 10 JEEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](c2ccc(CC)cc2)N(C)C)CC1 1748994725 OWJCTGODNFCTRY-QHCPKHFHSA-N 463.630 2.021 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@H](C)Oc2cccc(F)c2)CC1 1749010745 WKQXKFLIGULINC-HKUYNNGSSA-N 455.534 2.354 30 10 JEEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(c2nc(C)no2)CC1 1749401571 ABHJFLDLPIFFKF-GOSISDBHSA-N 493.634 2.217 30 10 JEEE C=CCCOCCn1c(Cc2ccc(F)cc2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1749457108 GAUDIFVAOMYCQD-NRFANRHFSA-N 470.549 2.367 30 10 JEEE C=CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCN1CCN(CC)CC1 1749485337 RBNJRNWZDDRXKW-UHFFFAOYSA-N 464.618 2.325 30 10 JEEE C=CCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCN(CC(=O)NCCOC)CC1 1749613745 HDHMEQUBSIIKTI-QGZVFWFLSA-N 458.632 2.202 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc3ccccc3o2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1749659011 REKDNEOINJQIKA-QGZVFWFLSA-N 486.598 2.101 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cc(C)nc(N3CCCC3)c2)C1 1749697376 JMTPFYUIDYHHBE-UYAOXDASSA-N 489.646 2.022 30 10 JEEE CC(=O)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCC[C@@H](O)C2)CC1 1749838769 DXARBKWPJNWTEA-NHCUHLMSSA-N 452.559 2.338 30 10 JEEE N#Cc1ccnc(N2CCN(c3nnc([C@@H]4CCS(=O)(=O)C4)n3CCCC(F)(F)F)CC2)c1 1750384626 HQWCCAOVHUQCNA-MRXNPFEDSA-N 483.520 2.116 30 10 JEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)O[C@@H](c2ccsc2)C1 1760137943 OHGYWHYDWBYMOD-SXLOBPIMSA-N 493.655 2.442 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCOc1ccc(Cl)cn1)[C@H]1CCS(=O)(=O)C1 1760186831 GRAMVMWFQMJMKS-ZWKOTPCHSA-N 479.990 2.274 30 10 JEEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1CCN(C(=O)OC)CC1 1760212618 YWAFJCPBGBCQMR-DEOSSOPVSA-N 457.575 2.260 30 10 JEEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1C[C@@H](C(C)C)N1CCOCC1 1760223852 OLAWKYFRUYWUKB-FQEVSTJZSA-N 468.627 2.089 30 10 JEEE C#CCN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCCNS(=O)(=O)CC 1760234322 VNJBBNLXYVPRDY-UHFFFAOYSA-N 482.651 2.182 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1760243550 NYXMRAMKMIYEQY-DDYOIZNJSA-N 464.501 2.435 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCN(C)[C@@H](C)CC)CC1 1760251599 CUWNBLAJMDLXOB-IBGZPJMESA-N 472.037 2.347 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(=O)NCCC 1760294789 GSTSEMZELFHJLK-MHECFPHRSA-N 474.606 2.495 30 10 JEEE C=C(Br)Cn1c([C@H]2CCCCO2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1760306987 LXWUZSJKEUFDOI-KUHUBIRLSA-N 467.368 2.243 30 10 JEEE C=C(Br)Cn1c(N2C[C@H](C)O[C@H](COC)C2)nnc1[C@]1(OC(C)C)CCOC1 1760314489 ODGJKQABFGGNMU-BXWFABGCSA-N 459.385 2.467 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1760319161 LAUURXYUIPXTJZ-LEWJYISDSA-N 470.599 2.270 30 10 JEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCN(C)C(=O)OC(C)(C)C)CC1 1760382367 OTHBYPMSEXEJTJ-MRXNPFEDSA-N 456.613 2.302 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCCCS1(=O)=O 1760477700 IBNSNBOKWMPLHI-PMACEKPBSA-N 473.599 2.398 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1760515970 UETNCEFKRQXLMU-XLIONFOSSA-N 458.994 2.448 30 10 JEEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 1760527510 ZDJTXOAUMXWPBQ-UHFFFAOYSA-N 468.577 2.343 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC(N(C)c2ccccc2)CC1 1760555637 JPGBWVFNNTWMSV-IBGZPJMESA-N 459.616 2.488 30 10 JEEE C=CCS(=O)(=O)CCn1c(CSc2ccc(C)cc2)nnc1N1CCC(C(=O)NC)CC1 1760557986 CKJOLBXJMXQMKG-UHFFFAOYSA-N 477.656 2.442 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1760558611 UWMNRZRMRRUFOD-HSZRJFAPSA-N 494.589 2.371 30 10 JEEE COC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCS(=O)(=O)C2)C1 1767869035 HVNBWAXHCHRFLH-HKUYNNGSSA-N 457.556 2.031 30 10 JEEE COc1ccc(-n2cc(/C=N\NC(N)=S)c(-c3ccc4c(c3)N(C)C(=O)[C@@H](C)O4)n2)cc1 1857807152 XTPRFAYQJJICSD-PMZVSURPSA-N 450.524 2.459 30 10 JEEE CCCCCCCCNC(=O)[C@@H](C)NC(=O)CNC(=O)c1cc(OC)c(OC)c(OC)c1 1861495338 AEFINQJVYLGZIP-MRXNPFEDSA-N 451.564 2.424 30 10 JEEE COCCNC(=O)COc1cn(CCOC)c(CSc2nc(C)c(C)c(C)c2C#N)cc1=O 1870287893 MFJYGWZSALAZFI-UHFFFAOYSA-N 474.583 2.120 30 10 JEEE C=CCn1cc(OCc2ccc(C(=O)OC)o2)c(=O)cc1CN1CCN(c2ncccn2)CC1 1870558059 RMVIFFAQPCNVLW-UHFFFAOYSA-N 465.510 2.105 30 10 JEEE C#CCOc1cn(CCCN2CCCC2=O)c(CN2CCN(Cc3ccccc3)CC2)cc1=O 1870558403 CBDUFMZNJILYKA-UHFFFAOYSA-N 462.594 2.191 30 10 JEEE Cc1ccnc(N2CCN(C(=O)[C@@H]3SCC(=O)N(C(C)C)[C@H]3c3ccc(C#N)cc3)CC2)n1 1889546887 AFXMDESWHSTXGM-FCHUYYIVSA-N 464.595 2.399 30 10 JEEE C=C1C(=O)O[C@H]2[C@@H](OC(=O)/C(C)=C/C)[C@@H]1[C@H](OC(=O)C(C)C)[C@]1(C)[C@@](C)(O)CC[C@H](O)[C@@]21C 2069589954 YUIFLMUQEDTANM-FTJQBTTRSA-N 464.555 2.462 30 10 JEEE C#CC[C@H]1CN(C(=O)c2cc(I)cc(I)c2O)CCO1 2195286522 JRZOEACNZCHTHU-JTQLQIEISA-N 497.070 2.466 30 10 JEEE CN(CCOCCNC(=O)OC(C)(C)C)C(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2255639514 PFDIEUVMTJRCIB-UHFFFAOYSA-N 455.386 2.056 30 10 JEEE CCCSC[C@H](NC(=O)OC(C)(C)C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2256638854 JXXGRMMGIPUPJU-LBPRGKRZSA-N 472.442 2.234 30 10 JEEE Cn1ncc(C(=O)N2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)c1B1OC(C)(C)C(C)(C)O1 2267006611 OSUVGFHVVQYECZ-IBGZPJMESA-N 482.390 2.498 30 10 JEEE CC(C)(C)OC(=O)N1CC(CNS(=O)(=O)c2ccc(F)c(B3OC(C)(C)C(C)(C)O3)c2)C1 2267469075 PNGVYMRHJGNDQB-UHFFFAOYSA-N 470.372 2.270 30 10 JEEE C=C(CS(=O)(=O)N[C@@H]1CO[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1)B1OC(C)(C)C(C)(C)O1 2267469988 DDLFODMYFPJLHP-HRAATJIYSA-N 472.413 2.262 30 10 JEEE COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)O 2268641646 BXTCFFDWSHGTTD-DYVFJYSZSA-N 450.341 2.207 30 10 JEEE CC(C)(C)OC(=O)N[C@H](C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)c1ccccc1 2268651631 QAHHAHBKHBYZRL-AWEZNQCLSA-N 460.365 2.464 30 10 JEEE C[C@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)(C)O)c1nscc1B1OC(C)(C)C(C)(C)O1 2268716148 MHNZLDBZNDNEAF-WFASDCNBSA-N 469.413 2.284 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CO)CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(F)cc1Cl 2270431207 FWSISBNJJAQPPZ-GFCCVEGCSA-N 472.750 2.394 30 10 JEEE CC(C)(C)OC(=O)N1CC(O)(C(F)(F)CNCc2occc2B2OC(C)(C)C(C)(C)O2)C1 2272875017 SRLPESGDNXXDDT-UHFFFAOYSA-N 458.311 2.286 30 10 JEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CCOc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)C1 2280704669 DSXCGSBNZJJWIK-KRWDZBQOSA-N 482.408 2.184 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@](CO)(NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2281767710 JOUYXMDRSQJYPL-QHCPKHFHSA-N 464.343 2.227 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@](F)(CNC(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)C1 2281810484 PWMLDJWDOAJHQQ-NRFANRHFSA-N 485.387 2.148 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H]3C[C@H]2CN(C(=O)OC(C)(C)C)C3)n1 2281991737 FITMIQOHDBDCBY-HOTGVXAUSA-N 460.384 2.284 30 10 JEEE CC(C)(C)OC(=O)N1CCCN(CCNC(=O)c2occc2B2OC(C)(C)C(C)(C)O2)CC1 2282036162 FFZZOSAWSBRSDF-UHFFFAOYSA-N 463.384 2.251 30 10 JEEE Cc1ccc(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 2282052217 ZJMUUFKNFGVSPL-KBPBESRZSA-N 453.270 2.067 30 10 JEEE CC(C)(C)OC(=O)N1CC(N(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)[C@H]2CCOC2)C1 2282209814 XNEDMSRZNLYUBY-HNNXBMFYSA-N 462.352 2.429 30 10 JEEE C[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1S(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2282349389 YAROOIAAABHDJG-UKRRQHHQSA-N 476.326 2.206 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](NS(=O)(=O)Cc2ccccc2B2OC(C)(C)C(C)(C)O2)CCO1 2282503154 VRVOSRYBWRUKMH-KRWDZBQOSA-N 482.408 2.346 30 10 JEEE CC(C)(C)OC(=O)N1[C@H](CNC(=O)c2occc2B2OC(C)(C)C(C)(C)O2)C[C@@H]2COC[C@H]21 2282528879 YHVUTOANPKDIIZ-HLLBOEOZSA-N 462.352 2.333 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C12CCC2 2282537139 MCPVUJZBPAILAB-JKSUJKDBSA-N 460.384 2.285 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H](NC(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)CC[C@H]2C1 2282582647 YNYNNZDLPKWPOQ-ARFHVFGLSA-N 460.384 2.474 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1COC[C@H]1NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282606771 GFIIEGDFDJCQCG-CZUORRHYSA-N 481.786 2.304 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@]2(NC(=O)c3ncncc3B3OC(C)(C)C(C)(C)O3)CCC[C@H]12 2282707754 CJQCZYNUSAFRSY-QMHKHESXSA-N 458.368 2.438 30 10 JEEE CN(C(=O)OC(C)(C)C)[C@@H]1COC[C@@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2283965780 TXNXOTXAZNIJFL-GOEBONIOSA-N 465.331 2.340 30 10 JEEE CC(C)(C)OC(=O)N1CC(O)(CC(=O)NCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2285187264 AYZFQWJUMWVLPK-UHFFFAOYSA-N 464.343 2.113 30 10 JEEE COc1ccc(OCCCc2nnc(SCC(N)=O)n2N=Cc2cccc(OC)c2O)cc1 2326251904 RZGVWXCMJCPZOP-UHFFFAOYSA-N 471.539 2.472 30 10 JEEE COc1cc(C=Nn2c(SCC(N)=O)nnc2[C@@H]2CC(=O)N(C(C)C)C2)ccc1OC(C)C 2329013375 FGAYZXUSIRUNPN-MRXNPFEDSA-N 474.587 2.258 30 10 JEEE CCOc1cc(C=Nn2c(CCOC)nnc2SCCO)ccc1OCC(=O)N(CC)CC 2331311135 UHEHGEBRIOWXCP-UHFFFAOYSA-N 479.603 2.080 30 10 JEEE C=CCN(CC(=C)B1OC(C)(C)C(C)(C)O1)C(=O)[C@@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C 2335424311 PVWIRMGKDJXEMY-MRXNPFEDSA-N 472.413 2.127 30 10 JEEE CC(C)(C)OC(=O)N1CCN(c2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)C[C@@H]1CCO 2345736935 UBRVDXRGLCCACB-HNNXBMFYSA-N 451.348 2.328 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@H]2NS(=O)(=O)c1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2359276942 AHZHMDSLVSOFIC-OWQGQXMQSA-N 482.383 2.411 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@H](C)N(C(=O)OC(C)(C)C)CC2)n1C 2362491780 GZNRROAPIVUQTJ-HNNXBMFYSA-N 462.400 2.499 30 10 JEEE CC(C)(C)OC(=O)N1CC2(C1)OCCC[C@@]2(C(=O)O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 2373523733 CQIUJYVKFYTCKL-CPJSRVTESA-N 470.570 2.320 30 10 JEEE COc1ccc([C@@H]2c3c(nc(N4CCC(C)CC4)[nH]c3=O)NC(=O)[C@@H]2C#N)c(OC)c1OC 72445303 MVNNYZOAFOWTOG-ZBFHGGJFSA-N 453.499 2.256 30 10 JEEE COc1ccc(OC)c(-c2cc(C(=O)NCC#Cc3ccc(N4CCNC4=O)cc3)n(C)n2)c1 96351167 APTIQMPQWFMJLK-UHFFFAOYSA-N 459.506 2.415 30 10 JEEE C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H]1CNc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 204869702 ZHISWDNVLYYXGY-SJLPKXTDSA-N 489.426 2.482 30 10 JEEE C=CCN1C(=O)C(=c2sc3nc(=O)c(Cc4ccccc4Cl)nn3c2=O)c2ccccc21 254439242 OCFBZBOYVGGKTJ-UHFFFAOYSA-N 462.918 2.206 30 10 JEEE COc1ccc(/C=N/Nc2nc3c(c(=O)n(Cc4ccc(C)cc4)c(=O)n3C)n2C)cc1OC 606630750 QKHSZEYLACGVBU-DHRITJCHSA-N 462.510 2.254 30 10 JEEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(C(F)(F)F)c2)C1=O 728011562 MVZPAEBIFLTNAI-CHWSQXEVSA-N 468.432 2.234 30 10 JEEE C#CCN(CC(=O)N1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1)Cc1ccc(F)cc1 744208735 FUFOSKUDPBSQSR-PDGQHHTCSA-N 455.555 2.406 30 10 JEEE C#CC[C@]1(C(=O)N2CCC(C(=O)OCC)([S@](C)=O)CC2)CCCN1C(=O)OC(C)(C)C 1158402464 JBCGDYNMFCOMHA-UKPGIYTDSA-N 454.589 2.082 30 10 JEEE C#CCNC(=O)C1CCN(C(=O)Nc2nccc([C@H]3CCN(C(=O)OC(C)(C)C)C3)n2)CC1 1220440371 XVXHCUMJIGVRSS-KRWDZBQOSA-N 456.547 2.194 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1286298092 FMRLEIPNFDEXFA-NQIIRXRSSA-N 490.587 2.393 30 10 JEEE C#CCCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1286318616 PSFXYGLVZPOILC-KRWDZBQOSA-N 459.572 2.243 30 10 JEEE C#CCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1286357340 UPRLZZRONNUPFR-UHFFFAOYSA-N 466.586 2.061 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Cl)n1CCn1cc(C)cn1)[C@@H]1CCS(=O)(=O)C1 1286386743 GXQRWUNIYODRTJ-QGZVFWFLSA-N 458.975 2.430 30 10 JEEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H]2CN(CC(C)C)CCO2)CC1 1286478274 BHFPWYJHIZGERM-HXUWFJFHSA-N 472.584 2.259 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CCN(C(=O)OC(C)(C)C)C2CC2)CC1 1286493930 ICXJBVSROIUYJM-UHFFFAOYSA-N 474.606 2.180 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1286545711 ALLXVKNVVPDMQN-AQNXPRMDSA-N 458.607 2.238 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1286628546 IGEXZMKZXWRASW-AHRSYUTCSA-N 451.015 2.304 30 10 JEEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1286692479 GROUBFHCLFIHNF-LJQANCHMSA-N 459.616 2.473 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCCN(C(=O)c2cccc(C)c2)CC1 1286788423 WHMWQZQQKOSZIP-NRFANRHFSA-N 466.586 2.135 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl 1286793628 IDIVWJVIZIUJLF-IWKLRQMXSA-N 458.390 2.324 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2CC[C@@H](N2CCOCC2)C(F)(F)F)C1 1286808991 FSAZEHNGTKBNDP-KZNAEPCWSA-N 459.513 2.217 30 10 JEEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2ccc(OC)cc2C1 1286823318 LZSDBIGAFFYDQW-OAHLLOKOSA-N 451.618 2.379 30 10 JEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(=O)c2ccccc2F)CC1 1300364401 JYNBGPSYWKURSO-IBGZPJMESA-N 487.601 2.475 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1CCc1cnc2c(Cl)cnn2c1)[C@@H]1CCS(=O)(=O)C1 1300485814 ZBUNIEBNYONEEQ-MRXNPFEDSA-N 476.006 2.141 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1cccc(C)c1)N1CCOCC1 1300630881 IPDXJIPSXJVHCI-VXKWHMMOSA-N 471.627 2.022 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(F)cc2Br)n1C[C@]1(O)CCO[C@@H]1C 1300655181 RBZGTYPOWHLJKZ-JLTOFOAXSA-N 467.339 2.473 30 10 JEEE C#CCN1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CC(=O)NCC(F)F)CC1 1300709998 NXFONDNQPTUULW-UHFFFAOYSA-N 468.961 2.360 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1300884296 IYYZWHOWYOSNCB-PZJWPPBQSA-N 460.623 2.422 30 10 JEEE C=CC[C@H](Cn1c(N2CCN(S(C)(=O)=O)CC2)nnc1[C@@]1(OCC)CCOC1)c1ccccc1 1301169045 ZMURUHOWIIZZKD-ZJSXRUAMSA-N 489.642 2.372 30 10 JEEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2c(F)ccc(F)c2C1 1301238552 ARXOQMAPJNZSOF-AWEZNQCLSA-N 455.531 2.322 30 10 JEEE C=CCN(CCOC)c1nnc(-c2cc(C)nc3ccccc23)n1CCN1CCCS1(=O)=O 1301417544 UILGYKPZWSBRJT-UHFFFAOYSA-N 470.599 2.476 30 10 JEEE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3cccc(C#N)c3)n2CCCNC(=O)C2CCC2)C1 1301653025 NVQYOYWKKOUZMP-HXUWFJFHSA-N 463.586 2.428 30 10 JEEE CC(C)[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C(N)=O)C1)N1CCCC1 1302528156 GJMXEAMZOZZFPA-TZIWHRDSSA-N 451.575 2.161 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCCOC1)[C@@H]1CCS(=O)(=O)C1 1358956949 MYDFHSBPSWLYFX-GOEBONIOSA-N 482.404 2.089 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1CCCOC(C)C)[C@H]1CCS(=O)(=O)C1 1358959491 JVQPQMCSHYFZGU-SFHVURJKSA-N 460.556 2.116 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1CCc1cc(C)cc(C)c1)[C@H]1CCS(=O)(=O)C1 1358960968 PIWZCQOXBQIROQ-FQEVSTJZSA-N 450.568 2.221 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCc1nnc(C)s1 1358968210 CGGPHRRMCWTJQL-UHFFFAOYSA-N 453.959 2.337 30 10 JEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCN1CCCCC1 1358971105 IKPNUPWCIZPKPF-UHFFFAOYSA-N 467.643 2.495 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2OC)n1CCN1CCN(C)C(C)(C)C1 1358974049 PAHDQFNMRGIMRQ-UHFFFAOYSA-N 450.587 2.061 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1359016932 PNMDOJOLIHVCBV-MLSMKVKPSA-N 464.501 2.087 30 10 JEEE C=C(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1359121780 IMKDYJPNKJTOHK-IBGZPJMESA-N 488.662 2.136 30 10 JEEE C=C(Cl)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1359144241 CFDCDIXLXLZWKE-OAHLLOKOSA-N 469.995 2.480 30 10 JEEE C=C(Cl)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1359144806 UUQLNWTVJKNJLR-GOSISDBHSA-N 459.938 2.349 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2c[nH]c3ccccc23)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1359330874 FZKBXULDFNTVJV-IAGOWNOFSA-N 459.572 2.267 30 10 JEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1 1359343048 LBQYGSRMODYMEM-KKSFZXQISA-N 466.604 2.336 30 10 JEEE CCS(=O)(=O)CCn1cc(C)c(NC(=O)COc2ccc(C#N)c(Br)c2)n1 1436077704 DURVEFRMSVIXBG-UHFFFAOYSA-N 455.334 2.278 30 10 JEEE C=CCN1CCC(NC(=O)NC[C@H]2CC3(CCN(C(=O)OC(C)(C)C)CC3)C(=O)O2)CC1 1468647405 PXJUTXZPPGOGPM-GOSISDBHSA-N 450.580 2.269 30 10 JEEE CCn1nc(-c2nnc(N(C)[C@@H](C)CC#N)n2C[C@H]2CCCS(=O)(=O)C2)c2ccccc2c1=O 1502360006 HRLZWKDPZOKJEG-DLBZAZTESA-N 483.598 2.238 30 10 JEEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 1507551121 AUZTUFMVMXMZSF-GOSISDBHSA-N 453.543 2.388 30 10 JEEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CC(C)C)C(=O)C1 1507588130 GGVLTSCBKKNBCU-IBGZPJMESA-N 474.606 2.305 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2CC(=O)NCc2ccco2)CC1 1507735004 GWWYPPRRSMHPAW-UHFFFAOYSA-N 460.538 2.129 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@](C)(O)[C@@H](C)CC)CC1 1507736685 RTXJDTRUXLQIEV-LQGLAIQGSA-N 475.634 2.082 30 10 JEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](CNC(=O)c2ccccc2)C1 1507753679 HXUNZZJIZMSXCU-UYAOXDASSA-N 466.611 2.242 30 10 JEEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(=O)c2cccc(F)c2)CC1 1507852925 FCPHNOQGXHBWCN-HNNXBMFYSA-N 484.985 2.132 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCC(CC#N)CC2)n1CCCS(=O)(=O)c1ccccc1 1509633113 DCNBJOMVKLBZEK-UHFFFAOYSA-N 458.588 2.410 30 10 JEEE CN(c1nnc(-c2cccc(C#N)c2)n1CCC(=O)NC1CCCCC1)[C@H]1CCS(=O)(=O)C1 1517036382 GXYVZXKPQIYWRV-FQEVSTJZSA-N 470.599 2.279 30 10 JEEE COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCN2CCOCC2)cc1Br 1518163919 CFUDIURSHZHWLE-KRWDZBQOSA-N 491.390 2.167 30 10 JEEE COc1ccccc1C1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)CC1 1518416848 DGIWZHMFKFDEEH-MRXNPFEDSA-N 458.588 2.369 30 10 JEEE COCCN(C)CCCn1c(CC(C)(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1519110709 AWBCKFCDTYCAFR-LJQANCHMSA-N 469.638 2.212 30 10 JEEE N#Cc1cccc([C@H]2CN(c3nnc(-c4cccnc4)n3CC(=O)NCC(F)F)CCO2)c1 1521082425 GJNUGKYUDVERNJ-GOSISDBHSA-N 453.453 2.171 30 10 JEEE C#CCCCCn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1539044841 JTVRUVBMFJCSQM-LJQANCHMSA-N 464.636 2.004 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1CC1CCN(CCC)CC1)[C@@H]1CCS(=O)(=O)C1 1539210308 CMCUOYCGVMFIIN-HXUWFJFHSA-N 456.616 2.089 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCC[C@H]1OC)[C@H]1CCS(=O)(=O)C1 1539212100 RGVNADCOOQTMKN-PCCBWWKXSA-N 453.568 2.259 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCOC(F)F)[C@@H]1CCS(=O)(=O)C1 1539229980 AQLQSKJOWBGDLD-BRWVUGGUSA-N 474.574 2.453 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@H](C(C)C)N1CCOCC1 1539251544 HXLGGKNFGOLIIS-JOCHJYFZSA-N 451.571 2.392 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1c(F)cccc1OC(F)F 1539324558 VRRXXUAGWFVXAF-OAHLLOKOSA-N 466.485 2.432 30 10 JEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1539490713 ZPUFQNZVNHXYPY-UHFFFAOYSA-N 467.574 2.218 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC2(O)CCC2)C1 1540892536 NIDBMQBBKONFCG-MSOLQXFVSA-N 463.579 2.283 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N(C)C1CCC(NC(C)=O)CC1 1540900426 VJMNRDPAJTUVIH-UHFFFAOYSA-N 481.022 2.478 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1CN(CC(C)C)CCO1 1587569304 WPDSXYJGCADCFQ-AZUAARDMSA-N 487.674 2.361 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@](C)(O)[C@H](C)CC)c1 1587693118 PGTIGFOVQIUWBW-ROMRWMGNSA-N 487.626 2.034 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1CC[C@H](N1CCOCC1)C(F)(F)F 1588113955 WVYPPPHUORONPP-NRFANRHFSA-N 489.498 2.442 30 10 JEEE C#CCN(CC#CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1cc(C)no1 1588245545 IVVVBRHBKNWJDB-UHFFFAOYSA-N 457.582 2.450 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)(C)C)n2C[C@@H]2CC[C@@]3(CCOC3)O2)n1 1588724200 VDXXVUCTZFZTDI-RDPSFJRHSA-N 456.591 2.396 30 10 JEEE C=C(Br)Cn1c(C2CCCC2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1589394441 FWKCBAWKOPQQQK-UHFFFAOYSA-N 453.385 2.018 30 10 JEEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1593712300 YGYFXERCRJKCTD-FDDCHVKYSA-N 476.599 2.326 30 10 JEEE C=C(Cl)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1593932626 LVGLPXRQCGNMAG-CQSZACIVSA-N 467.382 2.123 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1CCN(C(C)=O)CC1 1595127497 QYGNAYWULFIWDD-QGZVFWFLSA-N 492.621 2.479 30 10 JEEE C=CCn1c(C(=O)NC(CC)CC)nnc1N1CCN(Cc2nc(O)c3ccccc3n2)CC1 1595314333 QQTNAVLZKLHBAQ-UHFFFAOYSA-N 464.574 2.354 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cccc(Cl)c2C)C1 1595729657 NQOQFAXRXIAORX-ICSRJNTNSA-N 496.033 2.402 30 10 JEEE CC(=O)N1CCN(CCn2c(-c3ccc(C#N)cc3)nnc2N(C)Cc2ncc(Cl)n2C)CC1 1596282163 DYMBSGDYITXECS-UHFFFAOYSA-N 481.992 2.004 30 10 JEEE N#Cc1cccc(NC(=O)N[C@@H]2CO[C@@H]3[C@H]2OC[C@H]3n2nnnc2Oc2ccc(-n3ccnc3)cc2)c1 1616131176 SUSMVMGQHSSYJK-CZYKHXBRSA-N 499.491 2.052 30 10 JEEE COc1ccc(Cn2c(CNC(=O)c3cccs3)nnc2N(C)C[C@@H](C)C#N)c(OC)n1 1619290276 HMKHDLCABGIEMJ-AWEZNQCLSA-N 455.544 2.326 30 10 JEEE COC[C@H](C)n1c(SCC(=O)N2CCN([C@H](C#N)C(C)C)CC2)nc2ccccc2c1=O 1652444117 BSWOWDUSQRJECR-FXAWDEMLSA-N 457.600 2.388 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1CN(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CCCO1 1658901766 BBDNKEDUHZMKGV-LJQANCHMSA-N 454.531 2.298 30 10 JEEE C#CCN([C@H]1CCOc2ccc(Br)cc21)S(=O)(=O)[C@@H]1CC(=O)N(C2CC2)C1 1661573622 CCKVKJBWUJWKON-WBVHZDCISA-N 453.358 2.301 30 10 JEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCc2ccc(CN3CCNC3=O)cc2)cc1 1667322898 XTNLSRUZMSNPCL-UHFFFAOYSA-N 457.556 2.340 30 10 JEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1689916495 LPXJAIOGHMADDV-HXUWFJFHSA-N 468.583 2.172 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H](C)Sc1ccccc1)[C@H]1CCS(=O)(=O)C1 1689978446 VVDVYASNCRITHI-ROUUACIJSA-N 475.640 2.224 30 10 JEEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1CCNC(=O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1689980923 ZMXDVZHAFAMICX-NHCUHLMSSA-N 471.627 2.219 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CCCN1C[C@@H](C)C[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1689993541 GOIZFNSLELDAQK-FUPPJEDESA-N 484.670 2.259 30 10 JEEE C#CCSCCn1c(N2CCN([C@H](C)C(F)(F)F)CC2)nnc1[C@@]1(OCC)CCOC1 1690186845 VXIMQDBWQMBSOT-VQIMIIECSA-N 461.554 2.369 30 10 JEEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCN(Cc2ncc(-c3ccccc3)o2)CC1 1690715966 YTUPIXQDBBDAHV-UHFFFAOYSA-N 456.572 2.165 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](OC)C1 1690732063 UYILIFHMBXCVEW-IRXDYDNUSA-N 469.608 2.176 30 10 JEEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCC2CCN(CC(F)(F)F)CC2)C1 1698483600 GIQMRPYBNCPNGG-HNAYVOBHSA-N 457.476 2.336 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC(=O)Nc1c(C)cccc1C)[C@H]1CCS(=O)(=O)C1 1705567031 SMVKZFMUTDVPDH-PMACEKPBSA-N 485.610 2.402 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)c1nc(-c2ccccc2)no1 1705613341 YQIJLTOZKGTYKC-AEFFLSMTSA-N 454.556 2.493 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ncccc2N(C)C)CC1 1705643336 BPOZVZGSDOAASH-DENIHFKCSA-N 451.619 2.461 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2Cc2cccnc2N2CCOCC2)CC1 1705644447 QWQQHJFQTPZRII-LJQANCHMSA-N 465.602 2.037 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(C(=O)NC)CC1 1705705308 GGXGXJUZSMVWJN-FXAWDEMLSA-N 472.615 2.213 30 10 JEEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCN(CC(=O)N(C)C2CCCCC2)CC1 1705736463 STELMLWSTTXUCL-UHFFFAOYSA-N 482.633 2.241 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1705935253 LJNFQEZHEWKAPC-FQEVSTJZSA-N 480.656 2.182 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1722302594 JPBYRONCOUUXIZ-SFEXGQDGSA-N 483.573 2.334 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2CC(F)(F)CO2)c1 1722305430 AHTNVCFNMAWGSP-CUWPLCDZSA-N 489.523 2.483 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2CCNC(=O)C(C)(C)C)c1 1722305664 CJVQPLQTNLJGQW-LJQANCHMSA-N 452.559 2.348 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1722359850 QGNCJTHIMUTWGD-HXUWFJFHSA-N 457.600 2.066 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccccc1OC(F)F)[C@@H]1CCS(=O)(=O)C1 1722370864 RFVWEORIQVMICX-SJLPKXTDSA-N 466.510 2.406 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccccc2Br)n1CCS(=O)(=O)CC 1722424730 XXHXTVVSGSHHGY-UHFFFAOYSA-N 455.378 2.228 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2Cc2ccc3c(c2)COC3)CC1 1722443819 BNBVKVGIYVNUKU-SFHVURJKSA-N 467.570 2.046 30 10 JEEE C#CCSCCn1c(-c2ccccc2OC)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1722456730 DOYVJLHZRPCKAA-UHFFFAOYSA-N 495.609 2.377 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N(CCNC(C)=O)Cc1ccsc1 1722483132 GITIXWKDTLGSSN-HNNXBMFYSA-N 467.393 2.342 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2C)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1722497511 XCDPMUDPZWJJSJ-UNMCSNQZSA-N 480.613 2.408 30 10 JEEE C=CC[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)OC)CC1)c1ccccc1 1722594217 HSCGAMKSEVDCLW-MJGOQNOKSA-N 476.603 2.137 30 10 JEEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 1722626743 GARRNQQYUUAYNO-RTBURBONSA-N 467.574 2.380 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1722725901 TUDXTTZTIBGAJA-HNNXBMFYSA-N 464.592 2.088 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@]1(OC)CCOC1 1740547528 XAPVAYKMHWMJRD-BXKMTCNYSA-N 450.543 2.499 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CCCN1S(C)(=O)=O 1740555033 ZFKYPUKBAPTNQN-IPMKNSEASA-N 494.662 2.275 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(Br)n1 1740678719 QMHOIQAXHZFHFX-UHFFFAOYSA-N 470.331 2.217 30 10 JEEE C#CCSCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCN2C(=O)NC[C@H]2C1 1740713797 QXWQOKOPHRHJFZ-SFHVURJKSA-N 470.599 2.321 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1740954910 JBCQQIACOXOUMF-KRWDZBQOSA-N 465.558 2.067 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N(C)Cc1cc(OC)ccc1Br 1740960646 WYDVWBJKWGRKSA-CQSZACIVSA-N 464.364 2.492 30 10 JEEE CC(=O)N1CCN(c2nnc(-c3cccc(Cl)c3)n2CCN/C(O)=C2/N=CC=CC2=O)[C@@H](C)C1 1741044071 YHUHQWLTHKMWHZ-FOVZNYCQSA-N 483.960 2.182 30 10 JEEE C[C@H](CC#N)N(C)c1nnc(-c2cc(F)ccc2Br)n1CCNS(C)(=O)=O 1741797998 CHMPLBQVQFLEIY-LLVKDONJSA-N 459.345 2.134 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1748804339 FYUXBTXXFJGLOU-IMFGXOCKSA-N 495.001 2.114 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@](C)(O)c1ccco1)[C@@H]1CCS(=O)(=O)C1 1748808728 GRFJQRRSXBPLDG-HXOBKFHXSA-N 470.551 2.081 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Cl)n1CCN1CCOC(C)(C)C1)[C@@H]1CCS(=O)(=O)C1 1748809537 NBCUBAACPMKDER-GOSISDBHSA-N 492.045 2.336 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc(Cl)nc3)n2C[C@@]2(O)CCSC2)n1 1748970758 QSPFKKWJOXVSOP-QFIPXVFZSA-N 488.017 2.344 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2CC(C)(C)C(=O)NCC)CC1 1749003803 WPZPOIQLDNLNMU-UHFFFAOYSA-N 466.586 2.082 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2C[C@](C)(O)CCOC)CC1 1749008563 CVAYEFYFRMNUCV-AREMUKBSSA-N 492.580 2.353 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@H]2CCCCN2CCC)CC1 1749017032 TWGWAUVITXQHMF-HSZRJFAPSA-N 463.630 2.494 30 10 JEEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@]2(CCOC2)C1 1749022806 HHSMBMAQTANCPC-GOSISDBHSA-N 452.378 2.398 30 10 JEEE C#CCSCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCO[C@@H](C(=O)NC)C1 1749026616 FGHMBGKNNUZMMV-OAQYLSRUSA-N 481.578 2.435 30 10 JEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccccc2C2OCCO2)CC1 1749329223 IXDHWUJTGANDHC-INIZCTEOSA-N 461.588 2.384 30 10 JEEE C=CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1CC1(O)CCS(=O)(=O)CC1)C1CC1 1749511605 MBEPQCBVTPGSCE-UHFFFAOYSA-N 462.572 2.057 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CCSC1 1749529802 LKIPPYLHMGPMLB-XMSQKQJNSA-N 478.640 2.249 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(OC)cc2)nnc1N1C[C@@H](C)OC(C)(C)C1 1749740217 SGRYKKJYTLSRDU-QGZVFWFLSA-N 464.588 2.470 30 10 JEEE CS(=O)(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCCC2)C1 1750196328 BNUIIFNQGPXQKE-NRFANRHFSA-N 472.615 2.228 30 10 JEEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCN2S(C)(=O)=O)C[C@@H](C(F)(F)F)O1 1752321024 HYPZSGSQOXDDKA-QGTPRVQTSA-N 498.531 2.397 30 10 JEEE C#CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(C(=O)NC)CC1 1760162512 VBWRPADRMISTKD-SFHVURJKSA-N 459.595 2.267 30 10 JEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCNC(=O)c1ccc(C)c(F)c1 1760165009 GUSSOXLNTWLXRA-UHFFFAOYSA-N 497.600 2.494 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC(=C)Br)[C@H]1CCS(=O)(=O)C1 1760184295 VHNLXXCZIRQFBR-INIZCTEOSA-N 480.344 2.389 30 10 JEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H]1CCOC[C@@H]1OC)[C@@H]1CCS(=O)(=O)C1 1760186370 MMVNTVZPDSMPLW-TYPHKJRUSA-N 493.029 2.201 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CC(C)(C)N1CCC(OC)CC1)[C@@H]1CCS(=O)(=O)C1 1760189179 SAJINJQQDPRLPF-TZIWHRDSSA-N 493.674 2.036 30 10 JEEE C#CCN(c1nnc(CCCc2ccccc2)n1CC1(N(C)C)CCOCC1)[C@H]1CCS(=O)(=O)C1 1760192279 SKOLJPQLDBIFIK-QHCPKHFHSA-N 499.681 2.191 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(OCCN(C)C)cc1 1760216500 QBHZJZRJLIIASP-UHFFFAOYSA-N 474.565 2.457 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2CCCN2C[C@@H](C)O[C@H](C)C2)CC1 1760254712 HQOQIMYUMIRZOM-NHCUHLMSSA-N 452.603 2.208 30 10 JEEE C=CCCCCn1c(-c2ccccc2Br)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1760424394 FOTYVKUYIXAIQC-OAHLLOKOSA-N 473.375 2.211 30 10 JEEE C=CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCC(=O)N1CCOCC1 1760463100 SUXPXDYIDYENPP-UHFFFAOYSA-N 462.595 2.264 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1760518437 VEFWDNCEOBZFPC-IAGOWNOFSA-N 458.950 2.157 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1760528136 STVTWIUFUUJDSV-UHFFFAOYSA-N 492.671 2.041 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1760537987 VDVJDFYSRPWZJP-MJGOQNOKSA-N 491.614 2.025 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N(C)C1CCN(C(=O)c2ccccc2)CC1 1760553939 MKZZTBXPOGJJHZ-UHFFFAOYSA-N 495.609 2.077 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1760555716 LHDFUCIXPQQROR-RTWAWAEBSA-N 471.583 2.222 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN([C@@H](C)c2nccs2)CC1 1760556093 UROJNLWTCUSPTJ-INIZCTEOSA-N 450.634 2.486 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCC[C@@](C)(C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1760558244 JZEKAQBVOGWSLZ-LEWJYISDSA-N 451.593 2.050 30 10 JEEE CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2CCOCC2)CC1 1763948530 AKBSSEJKVPZXLF-LJQANCHMSA-N 465.602 2.280 30 10 JEEE CCOC1CC(O)(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(CC(C)C)C(=O)[C@H]2C)C1 1766151993 DPMSJIPKLDCVNU-MFDWQKDMSA-N 466.586 2.440 30 10 JEEE CO[C@]1(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CC(C)(C)CN2CCOCC2)CCOC1 1768215693 BRVISYSSUXOFRV-VWLOTQADSA-N 468.602 2.417 30 10 JEEE COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC[C@H]2CCCCO2)CC1 1769135975 GXIGWIIGKRLKAP-OAQYLSRUSA-N 452.559 2.461 30 10 JEEE CN1C(=O)Cc2cc(S(=O)(=O)Nc3ccc(N(C)S(=O)(=O)c4ccccc4C#N)nc3)ccc21 1858270278 WGQUUBQTHNTOHV-UHFFFAOYSA-N 497.558 2.098 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)C2CCN(C(=O)COC)CC2)c(C(=O)OCC)c1C 1860629721 CSSWNTLJVFTJPS-UHFFFAOYSA-N 452.529 2.400 30 10 JEEE Cn1cc(C(=O)N2CCN(Cc3cccc(C(=O)Nc4ccccc4C#N)c3)CC2)ccc1=O 1860906327 ZSPBBBMIAJILIN-UHFFFAOYSA-N 455.518 2.467 30 10 JEEE CCN(CC)CCNC(=O)c1ccc(-n2nnc(C#N)c2NC(=O)c2cccc([N+](=O)[O-])c2)cc1 1870146960 QMVQSDJGBDAWHA-UHFFFAOYSA-N 476.497 2.371 30 10 JEEE COc1ccc(N2C[C@H](c3nnc(SCC(N)=O)n3/N=C/c3ccccc3OC)CC2=O)cc1 1874199226 JDPRXXOQYYQBQV-KWJLSGNOSA-N 480.550 2.275 30 10 JEEE N#Cc1ncccc1OC1CN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc(Cl)cc2)C1 1891958200 YWJBARQRLOKZTJ-IBGZPJMESA-N 460.943 2.440 30 10 JEEE CC(C)(C#CC(=O)N[C@]1(C(=O)O)CCCN(C(=O)OC(C)(C)C)C1)NC(=O)OC(C)(C)C 2082715077 LKGYSFYMJBGUAO-JOCHJYFZSA-N 453.536 2.264 30 10 JEEE C=C(Br)CS(=O)(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1C(=O)OCC 2174717209 WGVUAKOMJKQAMB-KBPBESRZSA-N 469.398 2.393 30 10 JEEE CC1(C)OB(c2ccc(C(=O)N[C@@H]3CCOC[C@H]3NC(=O)OCc3ccccc3)o2)OC1(C)C 2255712911 TZFSPLNGJPKUNZ-QZTJIDSGSA-N 470.331 2.393 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@H](C(=O)NCc2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2256615606 VPHCVWLBSSTKGK-HNNXBMFYSA-N 452.382 2.299 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](NC(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2Cl)C1 2267007963 BBHCBMGRNUQRII-HOTGVXAUSA-N 466.771 2.349 30 10 JEEE CS[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2267598086 YXGGYDLVXBOXKM-IRXDYDNUSA-N 463.409 2.462 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@H]2[C@H](C(=O)NCc3ccc(B4OC(C)(C)C(C)(C)O4)s3)[C@H]21 2268722179 WOTQOEDMDXMCCU-BRWVUGGUSA-N 464.393 2.298 30 10 JEEE CN(C[C@@H](O)CN(C)C(=O)c1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1)C(=O)OC(C)(C)C 2281782798 BGHKIUHUMORYPZ-INIZCTEOSA-N 466.359 2.425 30 10 JEEE CC(C)(C)OC(=O)NC[C@]12CN(C(=O)c3coc(B4OC(C)(C)C(C)(C)O4)c3)C[C@@H]1CCO2 2281817548 NRJGJKHFLWVYGY-HJPURHCSSA-N 462.352 2.335 30 10 JEEE Cn1nc(C(=O)N(C2CCC2)C2CN(C(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2281975453 NAESTIJRFMMBNN-UHFFFAOYSA-N 460.384 2.333 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)C1(C)C 2282048783 QFRYQLIFAPCCBP-HOCLYGCPSA-N 462.400 2.389 30 10 JEEE CC(C)(C)OC(=O)NC[C@]12CN(C(=O)c3sncc3B3OC(C)(C)C(C)(C)O3)C[C@H]1CCO2 2282063764 QHPZULSCDPQMKM-PEBXRYMYSA-N 479.408 2.198 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](CNC(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)CO1 2282523930 FJUXYOXJHBDYCF-HOTGVXAUSA-N 461.368 2.040 30 10 JEEE CCn1cc(C(=O)N=[S@](C)(=O)CCN(C)C(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2282536119 YGVZIRALBUPQCL-MGBGTMOVSA-N 484.428 2.307 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCCO[C@@H]2[C@@H]1NC(=O)c1occc1B1OC(C)(C)C(C)(C)O1 2282541471 YNUVWAXRHWJGMJ-SVGFKBNWSA-N 462.352 2.379 30 10 JEEE CCc1nn(C)c(C(=O)N[C@@]23C[C@@H]2CN(C(=O)OC(C)(C)C)C3)c1B1OC(C)(C)C(C)(C)O1 2282561467 KGSTYRCZIJEBJU-QKFKETGDSA-N 460.384 2.021 30 10 JEEE CON(C1CN(C(=O)OC(C)(C)C)C1)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1C 2282838753 ULCLATLMCXMHNB-UHFFFAOYSA-N 482.408 2.466 30 10 JEEE CC(C)(C)OC(=O)NC1[C@@H]2CN(S(=O)(=O)Cc3ccccc3B3OC(C)(C)C(C)(C)O3)C[C@@H]12 2282839725 IBYJQUCDEOYMKZ-IAGOWNOFSA-N 478.420 2.271 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)N1CCc2cccc(B3OC(C)(C)C(C)(C)O3)c21 2283960884 CKWVBGVDBKERRH-WMZOPIPTSA-N 458.364 2.245 30 10 JEEE CC(C)(C)OC(=O)N1CCC(O)(CC(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)CC1 2283976755 HWIRGHVHIHQZRT-UHFFFAOYSA-N 461.368 2.471 30 10 JEEE Cc1cc(NC(=O)[C@H](CCC(N)=O)NC(=O)OC(C)(C)C)cc(B2OC(C)(C)C(C)(C)O2)c1 2284122743 RPQRHQLGEBNRJT-KRWDZBQOSA-N 461.368 2.392 30 10 JEEE CC(C)(C)OC(=O)NC1CC(O)(C(=O)NCCc2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2284127660 AUMZOKXAOAJOQR-UHFFFAOYSA-N 460.380 2.063 30 10 JEEE Cc1ccnc(C(=O)N[C@H](COCc2ccccc2)CC(=O)O)c1B1OC(C)(C)C(C)(C)O1 2284470283 XMHXWSABNNRJPX-SFHVURJKSA-N 454.332 2.479 30 10 JEEE COC[C@H](ONC(=O)OC(C)(C)C)C(=O)NCc1ccc(C)c(B2OC(C)(C)C(C)(C)O2)c1 2296176031 GWPGZIDMVUJUFE-SFHVURJKSA-N 464.368 2.382 30 10 JEEE COC(=O)c1[nH]c(C)c(C(O)=C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(OC)cc2)c1C 2297060459 ZKSAJAQWEMSEFF-FQEVSTJZSA-N 455.511 2.410 30 10 JEEE CC(=O)NCc1nnc(SCC(=O)NCc2ccccc2)n1N=Cc1ccc(N(C)C)cc1 2330794492 CUVGJVMHEKGWHO-UHFFFAOYSA-N 465.583 2.271 30 10 JEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CC(=O)N2CC[C@H](B3OC(C)(C)C(C)(C)O3)C2)C1 2342541755 SOQJAMLEOCVZPA-HOTGVXAUSA-N 472.413 2.105 30 10 JEEE COC[C@]1(C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)C=CCN1C(=O)OC(C)(C)C 2361498881 GZFNCFYFOMQRIV-QFIPXVFZSA-N 479.408 2.251 30 10 JEEE COc1cc(NC(=O)CCSc2nnc(N/N=C/c3cccc(O)c3)n2N)cc(OC)c1 20915774 VNMZKCOZIZWZGS-WSDLNYQXSA-N 457.516 2.282 30 10 JEEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN(c3ccc(Br)cn3)CC2)c1 28025220 DFDGVQWVYIONDK-UHFFFAOYSA-N 465.373 2.271 30 10 JEEE COc1cc(/C=N\Nc2nc3c(c(=O)[nH]2)CN(Cc2ccccc2)CC3)cc([N+](=O)[O-])c1O 169897503 HBYAXLCPPLREQI-KSEXSDGBSA-N 450.455 2.397 30 10 JEEE COc1cc(C=NNc2nc(N3CCCC3)nc(N3CCCC3)n2)cc(OC)c1OC(C)=O 254353720 UVVOMALNABLRCW-UHFFFAOYSA-N 455.519 2.461 30 10 JEEE COc1ccc(N2CCCC2=O)cc1S(=O)(=O)N(CCN(C)C)Cc1cccc(C#N)c1 586153807 PRSPPXXFXVEGKE-UHFFFAOYSA-N 456.568 2.446 30 10 JEEE C[C@@H]1CCCC[C@H]1NC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1-c1ccc(C(N)=O)cc1 608828007 BZCBBEWTDGNVHY-VGOFRKELSA-N 486.597 2.196 30 10 JEEE CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)/C(=C(/C)NCCC(=O)N3CCCC3)C(=O)[C@]12C 1075952319 CYNPKBLQBDSOQV-KFGDZMGLSA-N 468.506 2.171 30 10 JEEE COc1ccc(O)c(C=NNc2nnc(SCC(=O)Nc3nc4ccccc4s3)n2N)c1 1084401356 ZHQHIEMOABGTAN-UHFFFAOYSA-N 470.540 2.493 30 10 JEEE CC#CC[C@H](CO)NC(=O)[C@@H](CCSC)NS(=O)(=O)c1ccc(Cl)c(Cl)c1 1144923184 OPIXQGCFWRRQDW-MLGOLLRUSA-N 453.413 2.284 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc(C(=O)NCC)cc1 1286285404 MQELJEQNDLQTBW-QGZVFWFLSA-N 479.610 2.494 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CC1(CC)CCC1)[C@@H]1CCS(=O)(=O)C1 1286379955 FIJIBLJZUSFIGO-QGZVFWFLSA-N 456.572 2.132 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1286387633 HDOHZONUVFXRIP-CQSZACIVSA-N 458.462 2.151 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1CCCc1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 1286394939 PWBLFHSHQKMCMT-JOCHJYFZSA-N 466.611 2.170 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@](C)(O)[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1286398386 XYFACOCGSRGVQE-IXFSTUDKSA-N 478.590 2.420 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2Cc2cccc(C(F)(F)F)n2)CC1 1286470793 CGTGRYSIBCBIPH-INIZCTEOSA-N 452.481 2.219 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC(C)(C)c2ccccn2)CC1 1286473525 OKWOFDBKKQLEGU-UHFFFAOYSA-N 478.622 2.477 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2Cc2cccnc2OC)CC1 1286473612 UYGGSXAHBDJJNC-UHFFFAOYSA-N 470.375 2.253 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CC(=O)NCC=C)CC1 1286494908 QMINBQYABGUKMR-UHFFFAOYSA-N 487.029 2.492 30 10 JEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 1286495549 ZBSFLXKUDLOCIY-UHFFFAOYSA-N 475.018 2.285 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1286549207 WKOQEPSVGYWLAJ-PMVMPFDFSA-N 487.693 2.394 30 10 JEEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1286604309 HYPOYHDIJOFMRX-FQEVSTJZSA-N 496.655 2.345 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc([S@](C)=O)cc1 1286607285 FCTGFSGXLRNCQF-PBYQXAPXSA-N 466.629 2.147 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@H](NC(=O)OCC)C1 1286779147 FMQLCXCBBBMACN-HNNXBMFYSA-N 494.394 2.063 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCNC(=O)[C@@H]1CC 1286782720 DFMHSCJDJNRERA-INIZCTEOSA-N 461.364 2.033 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCc2cc(OC)c(OC)cc2CC1 1286785153 GGPATIGEIDJCDV-UHFFFAOYSA-N 450.543 2.208 30 10 JEEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(C)[C@H](C)Cc1ccccc1OC 1286787392 UMPNLXGOVRMTHW-MRXNPFEDSA-N 466.542 2.384 30 10 JEEE C#CCN(c1nnc([C@@H](C)CC)n1CCn1c(O)nc2ccccc21)[C@@H]1CCS(=O)(=O)C1 1300485586 XHDOFQZFKTUMPH-DLBZAZTESA-N 456.572 2.174 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1Cc1cccc(CN2CCO[C@@H](C)C2)c1 1300575523 XROYEWFKIIBRLT-NRFANRHFSA-N 457.582 2.411 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CC[C@@H](F)C2)n1 1300676357 NISQIQMZLIOUGY-RTBURBONSA-N 457.554 2.135 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H]2CCN(CC)C2)CC1 1300715729 CGLQLHMLURMWCA-IBGZPJMESA-N 480.613 2.270 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1300897805 VLDZJHMMOWSCMX-IMSXRSKXSA-N 474.650 2.319 30 10 JEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 1301188389 IMFWPWLFIPHXOK-QYZOEREBSA-N 453.609 2.115 30 10 JEEE C=CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCN1CCOCC1 1301223237 POTQXJIULHLTTI-IBGZPJMESA-N 464.611 2.321 30 10 JEEE C=CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(CCOC(C)C)CC1 1301434435 QXPIYYMRUJLEJU-UHFFFAOYSA-N 461.636 2.280 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC(CNC(C)=O)CC2)cc1 1301526913 SDIAOLZYUNCTHR-NRFANRHFSA-N 452.559 2.195 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccn3)n2CCCN2CCC[C@H]2C(=O)N(C)C)C1 1301553803 SXIDYQFCMUYIPV-CTNGQTDRSA-N 453.591 2.064 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1301577752 TVKJTTTYULPENR-MAUKXSAKSA-N 454.980 2.439 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc3cccnc23)nnc1N1CCC[C@@H](CC(N)=O)C1 1301578312 XBEUBOOXBKPGEM-KRWDZBQOSA-N 468.583 2.186 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCCN(C(=O)c2cccc(F)c2)CC1 1301596403 NTLPEIJBYFPDFQ-HXUWFJFHSA-N 491.589 2.222 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc2ccccc2s1 1301967349 BYVCATJJAVRHCL-CRAIPNDOSA-N 474.612 2.470 30 10 JEEE CC1(C)CCCN(CCn2c(-c3cccc(C#N)c3)nnc2N2CCCN(S(C)(=O)=O)CC2)C1 1303958715 HCVJDXCTWJARCM-UHFFFAOYSA-N 485.658 2.410 30 10 JEEE CCn1cnnc1Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@](F)(C#N)C1 1313857046 FCJIMEYRCVYTDQ-ZHRRBRCNSA-N 473.557 2.494 30 10 JEEE COCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCCN(CC(F)(F)F)CC1 1316068367 HMNFIZQYSIPEHM-UHFFFAOYSA-N 465.524 2.469 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1CCNC(=O)c1ccc(C)c(F)c1)[C@H]1CCS(=O)(=O)C1 1358955973 XWINHWIJUJYNIO-SFHVURJKSA-N 475.590 2.080 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1CC1(CCOCC)CCCC1)[C@H]1CCS(=O)(=O)C1 1358961402 YENKKAZGFVWJGE-IBGZPJMESA-N 472.615 2.349 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCCOC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1358962522 RGDIQEMSPYEXMO-CABCVRRESA-N 450.483 2.073 30 10 JEEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1(O)CCN(C(C)C)CC1 1359002117 ORASHHCIFRYZTP-UHFFFAOYSA-N 487.674 2.241 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccccc3Br)n2CCN2CCOC[C@H]2C)CC1 1359032985 LMLFDUAHJUKDIN-GOSISDBHSA-N 473.419 2.184 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccccc3Br)n2CC[S@@](=O)CC)CC1 1359033615 ISTFYTKGYVEWJF-MHZLTWQESA-N 450.406 2.231 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@H](C)OC)CC1 1359045194 ZHRYLWQADUCJJJ-SFHVURJKSA-N 488.633 2.393 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2c(C)cc(C)cc2C)CC1 1359045532 LALGDLOYBIASPV-OAQYLSRUSA-N 483.638 2.120 30 10 JEEE C=CC[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC(=O)N(C)C[C@@H]1C)c1ccccc1 1359195419 MAUOOQSIGQOETF-SXLOBPIMSA-N 457.600 2.207 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1CCOCC1 1359261104 WSKIUXAGFGULCL-HXUWFJFHSA-N 477.606 2.234 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)s1 1441470436 FKEXZFPWXRYCLY-UHFFFAOYSA-N 450.542 2.012 30 10 JEEE COC(=O)[C@@H]1CN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)C[C@H]1c1ccc(O)cc1 1469727445 AROLGJIBOXVUMU-LULLPPNCSA-N 458.515 2.049 30 10 JEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)N(C)[C@@H](C)c1ccccc1 1507592229 QYSVKUACKSXYLM-ICSRJNTNSA-N 457.600 2.249 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@]1(OC)CCOC1 1507710863 WQNUFABHYNWHMS-VWLOTQADSA-N 480.569 2.127 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@@](C)(O)c2ccc(F)cc2)CC1 1507742063 AHDRZJACHKSNML-AREMUKBSSA-N 476.556 2.277 30 10 JEEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1Cc1cccs1 1507750738 DCFZAKBWSXUYQY-PKOBYXMFSA-N 495.696 2.250 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)C[C@@H]1COc2ccccc2O1 1507868053 DVRHJAMQIYASHL-APWZRJJASA-N 498.005 2.030 30 10 JEEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@@H]1CSC 1508072361 HTSYDRCEUGYJBC-MRXNPFEDSA-N 477.660 2.181 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCN(c2ncccc2F)CC1 1508095251 ULLPGUIJNYXFMP-UHFFFAOYSA-N 481.532 2.029 30 10 JEEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)c1cccc(O)c1 1508159927 CBTIQUQAAZORDE-APWZRJJASA-N 481.644 2.433 30 10 JEEE Cc1nn(C)c(N2CCN(c3nnc(C(C)(C)C)n3CCC(=O)NC(C)(C)C)CC2)c1C#N 1511663457 GSTYQVRPTVOAAB-UHFFFAOYSA-N 455.611 2.121 30 10 JEEE CCN1CCN(C2CCN(c3nnc(COc4ccc(C#N)cc4)n3C[C@H](C)N(C)C)CC2)C1=O 1515935565 DMWRKZTYBATFSY-IBGZPJMESA-N 480.617 2.405 30 10 JEEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)CNC(=O)OC(C)(C)C)CC1=O 1519205314 CJNDCJZFCDREES-SFHVURJKSA-N 497.600 2.273 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCNS(=O)(=O)CC 1539015297 UDGCEGZWWJNTKA-MSOLQXFVSA-N 482.651 2.180 30 10 JEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1C[C@@H]1CCCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 1539206426 OYCQUZBPBFUHSJ-LPHOPBHVSA-N 497.042 2.050 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1ccc(OCC)cc1)[C@@H]1CCS(=O)(=O)C1 1539224537 HYYIDZQJCFASLL-OAQYLSRUSA-N 465.579 2.338 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CCc1ccc(N(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 1539225310 MUPHPFDLCSQGGP-HSZRJFAPSA-N 478.622 2.199 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(NC(=O)NC(C)C)cc1 1539392867 YFBOPPVMPFFRPA-UHFFFAOYSA-N 467.574 2.178 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H]2CCCN(CC(C)C)C2)CC1 1539430240 HNXRJBOSAGQLPL-RDGATRHJSA-N 458.651 2.053 30 10 JEEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1539612222 JVRWJRLKFXBNLE-HUUCEWRRSA-N 462.414 2.146 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1539629629 BCUMQKAOLCTXJM-SJBKTWHCSA-N 481.663 2.089 30 10 JEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(OCCN(C)C)cc2)CC1 1539828812 PIWGGZKKZKHQQT-SFHVURJKSA-N 462.620 2.033 30 10 JEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2ccccc2F)C1 1540037271 GXHNQIWHRHVDJK-XLIONFOSSA-N 464.563 2.490 30 10 JEEE C=CCOc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@H]2CCN(C(C)=O)C2)cc1 1540877755 DXVUORYQEBADII-RTWAWAEBSA-N 487.626 2.098 30 10 JEEE N#C[C@@]1(F)CCN(c2nnc(CN3CCCC3=O)n2Cc2ccnc(OCC(F)(F)F)c2)C1 1555985913 BRLUIOANIBQAQF-IBGZPJMESA-N 467.427 2.227 30 10 JEEE CC(=O)c1ccc(S(=O)(=O)CC(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)cc1F 1566387468 LLCPCPCSGXASTM-UHFFFAOYSA-N 459.499 2.273 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)C[C@@]2(O)CCCN(C(=O)OC(C)(C)C)C2)C1 1567387560 CPRMXEAMOCBDTK-WCJKSRRJSA-N 452.552 2.014 30 10 JEEE COC(=O)CCNC(=O)[C@@H]1CS[C@@H](C)N1C(=O)c1ccc(COc2ccc(C#N)cc2)o1 1570123208 BBILHICPDSKMJY-KSSFIOAISA-N 457.508 2.313 30 10 JEEE C#CC1(O)CCN(C(=O)[C@@H](Cc2cccc(Br)c2)[C@@H]2CCS(=O)(=O)C2)CC1 1585305078 KJZBUJLAVRHHKX-AEFFLSMTSA-N 454.386 2.029 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCc1nccc(C(F)(F)F)n1)[C@@H]1CCS(=O)(=O)C1 1588054960 QQPNKOCLWZMOHB-CVEARBPZSA-N 498.531 2.198 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1CCN(C(=O)OC)CC1 1588314849 SHIQIIBUFZUECQ-UHFFFAOYSA-N 463.542 2.130 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccn2C)n1CC1(C(N)=O)CCOCC1 1588481442 IZNMLXZOLOLYKA-UHFFFAOYSA-N 450.518 2.345 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1csc(CC)n1 1588628899 PUXIIMWEUUFFFP-UHFFFAOYSA-N 463.567 2.345 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCN2C[C@H](C)O[C@H](C)C2)CC1 1588769106 OVMZSPSIPZEPJP-BGYRXZFFSA-N 467.574 2.108 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCCOc2ccc(C)cc2)CC1 1588811815 NCRJYXBAAMWEPK-OAQYLSRUSA-N 471.627 2.103 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCC(=O)NC(C)(C)C)CC1 1588876913 NOOJGCRPCMEPQW-IBGZPJMESA-N 487.649 2.410 30 10 JEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN([C@H](C)c2nc(C(C)C)no2)CC1 1588969178 WMABFHNTCGAZSW-GOSISDBHSA-N 486.646 2.270 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C[C@@H]2CCOC2)C1 1593884235 GFRANYGBAJQPTI-BZSNNMDCSA-N 474.027 2.007 30 10 JEEE C=CCC(C)(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1594484005 LRTMCKAROVDQQX-SFHVURJKSA-N 489.646 2.182 30 10 JEEE CC(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)C(C)(C)C)C1 1596531001 HKOCESCGCQVZQB-IBGZPJMESA-N 451.575 2.332 30 10 JEEE C#CC[C@@H](CO)NC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Oc1ccccc1 1657715726 RRBYTZDXHFZXRX-KRWDZBQOSA-N 459.524 2.006 30 10 JEEE C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCN(c3cc(OC)cc(OC)c3)C2)c1 1668015238 HTFVZQGUUBWTCG-KRWDZBQOSA-N 459.568 2.424 30 10 JEEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1c(CC)nn(C)c1OC 1689944160 LQLPDFNJXYIQIA-UHFFFAOYSA-N 455.950 2.284 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1Cc1c(C)nn(C)c1C)[C@@H]1CCS(=O)(=O)C1 1689996552 JTTOWEARGAUQQJ-HXUWFJFHSA-N 482.610 2.191 30 10 JEEE C#CCN(c1nnc(COCC)n1CCc1csc(C(C)C)n1)[C@H]1CCS(=O)(=O)C1 1689996697 MKWKXGAWSLARTQ-KRWDZBQOSA-N 451.618 2.264 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCOC[C@H]2CCOC2)CC1 1690139148 BEGOUOFULZAZRS-OAQYLSRUSA-N 476.581 2.226 30 10 JEEE C#CCSCCn1c([C@H](CC)c2ccccc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1690157483 IHCBPABYZBCQOK-JOCHJYFZSA-N 494.665 2.457 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CN2CCCC2=O)n1CCN1CCOC[C@H]1C 1690561230 IGGOIVODYFRVEB-HXUWFJFHSA-N 463.586 2.185 30 10 JEEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ncn(C)n1 1690605631 RSNOCRXIRASKKE-UHFFFAOYSA-N 467.555 2.354 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1690660442 HSVQWHLLKPWEFZ-DLBZAZTESA-N 498.563 2.434 30 10 JEEE CO[C@@H]1COCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1ncnn1CC(F)F 1697698085 HPEJVRQTEHDCJH-ZWKOTPCHSA-N 472.500 2.361 30 10 JEEE N#Cc1cccc(-c2nnc(N3CCC(CC(N)=O)CC3)n2C[C@@H](N2CCOCC2)C(F)(F)F)c1 1698484018 CXUAGLRHSODRGH-LJQANCHMSA-N 491.518 2.172 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1ccc(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1705563959 IKQVOQHQCHRADH-IBGZPJMESA-N 467.551 2.032 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1705570227 LTMNSCOKSQRTNY-PMACEKPBSA-N 458.584 2.073 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@H]1CCN(CC)C1)[C@@H]1CCS(=O)(=O)C1 1705571109 VVILDZZIOXCSMX-ZWKOTPCHSA-N 477.581 2.116 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1C[C@H](c1ccc(C)cc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1705571478 ZVPHBDBARDMEOQ-FGZHOGPDSA-N 455.628 2.469 30 10 JEEE C#CCN(c1nnc(CSc2ccc(C)cc2)n1CC1([S@@](C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1705571786 IEQUVCGDRIUFRX-WTPASJBYSA-N 492.692 2.417 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1705572189 TVALOTCTGBVOSR-NMLBUPMWSA-N 464.632 2.455 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(C)cc2OCC)CC1 1705647777 LHXKVHIZAPFVRN-UHFFFAOYSA-N 459.554 2.456 30 10 JEEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(=O)NCc1ccco1 1705835925 YOXBHKUOLYBHSD-UHFFFAOYSA-N 457.560 2.078 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C2CCCCC2)C(=O)C1 1705898374 JQKSUOJGLKXEOQ-UHFFFAOYSA-N 482.585 2.246 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCN(C)CC(F)(F)F)C1 1705920711 CXSQOJCLOXNLEI-GOSISDBHSA-N 477.495 2.196 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCC(=O)NC(C)C)C1 1705925906 VVSCGAPQPXBWSK-OALUTQOASA-N 492.621 2.283 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1705935815 DLRFUYRRCRPOMJ-QUCCMNQESA-N 451.637 2.431 30 10 JEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CC[C@H](c2cccc(F)c2)C1 1705938483 ZWYSUZORHRPYFL-SFHVURJKSA-N 461.563 2.134 30 10 JEEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](OC(C)(C)C)C1 1705946330 FMYGTNZSOMSXOC-ROUUACIJSA-N 487.692 2.314 30 10 JEEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 1709842657 GRQVOAQFYGFADS-SFHVURJKSA-N 464.530 2.427 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@H]1CC(=O)N(CCOC)C1 1722294869 SVOODMJMAOYCCZ-MOPGFXCFSA-N 491.596 2.018 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1CCc2ccccc21 1722397332 PKZDJBIUUHDOFX-OAQYLSRUSA-N 451.596 2.096 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1722406559 ZXXJNTZYEHMQSZ-LJQANCHMSA-N 494.621 2.477 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@H]2CCCN2CCCO)CC1 1722433479 WRQCTEDFXROPCR-OAQYLSRUSA-N 487.446 2.310 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@H](C)Oc2ccccc2F)CC1 1722446919 BNNJFWWJJPEOQZ-HKUYNNGSSA-N 455.534 2.354 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@H]2CCC(=O)N2)CC1 1722450286 BWNGUMANGAHEOF-OAQYLSRUSA-N 492.624 2.399 30 10 JEEE C=CCC(C)(C)Cn1c(N2CCN(CC(=O)N(C)C)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1722593437 RSDVSHSGZASLRB-XMMPIXPASA-N 462.639 2.131 30 10 JEEE C=CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1722620272 QAKGRHIAOZQUHQ-HSZRJFAPSA-N 470.666 2.337 30 10 JEEE C=CCN(c1nnc(-c2ccc(Cl)cc2OC)n1C[C@]1(O)CCS(=O)(=O)C1)C1CC1 1722646897 YJVZWUOVCULSKP-HXUWFJFHSA-N 452.964 2.312 30 10 JEEE C=CCn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1722683020 YDEUKFQRLNUGBM-LJQANCHMSA-N 482.585 2.274 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCCN(CC(F)(F)F)CC1 1722694642 CLTLWHCXDGUNFN-UHFFFAOYSA-N 480.491 2.093 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(Cc2cccc(Cl)c2)CC1 1722726865 CNOYNXFQABJHNQ-LJQANCHMSA-N 480.034 2.358 30 10 JEEE CC1CCN([C@@H](C)Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCO[C@@H](C#N)C2)CC1 1726590258 IDFIOLOAWVBZMZ-ICSRJNTNSA-N 472.615 2.198 30 10 JEEE CCO[C@@]1(c2nnc(N3CCN(c4c(C#N)c(C)nn4C)CC3)n2CCC(C)(F)F)CCOC1 1728814229 FSAWGCQDUUQMJE-QFIPXVFZSA-N 478.548 2.216 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1Cc1ccccc1 1740592043 SLHRULVAYNMTCX-NHCUHLMSSA-N 457.600 2.236 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1CCCCS1(=O)=O 1740645431 GACYBOAUOHPRRY-HXUWFJFHSA-N 488.013 2.292 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCCOC2CCCCC2)CC1 1740704699 RHPLLXVMEKXFKG-UHFFFAOYSA-N 453.591 2.384 30 10 JEEE C#CCSCCn1c(COc2cc(C)ccc2C)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1740721689 QHTBBCUVMIKMQY-HXUWFJFHSA-N 472.636 2.467 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(-n2ccnc2C)nc1 1740767067 PCIVMFLPOGWXOL-INIZCTEOSA-N 458.592 2.228 30 10 JEEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCN(c2nc3cc(C)ccc3o2)CC1 1740993429 ALTHBVNBTQAQFH-UHFFFAOYSA-N 474.587 2.192 30 10 JEEE C=CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1740996981 KSBUJHTVKSKVOT-HNNXBMFYSA-N 469.409 2.296 30 10 JEEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2sccc2C1 1741001829 CUQONIPXHAAKHX-INIZCTEOSA-N 469.658 2.154 30 10 JEEE CCN(CCCn1c(-c2cccc(C#N)c2)nnc1N(C)C[C@@H]1CCCOC1)S(C)(=O)=O 1746309025 DCCZSPIUVLHOJV-IBGZPJMESA-N 460.604 2.351 30 10 JEEE CCNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2nccnc2C)CC1 1746479548 BWANEJKSWRUWHI-UHFFFAOYSA-N 473.585 2.404 30 10 JEEE C#CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@@H](NC(=O)CC)C1 1748737141 XYBITDVXPMKTTH-GOSISDBHSA-N 471.631 2.455 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@H]1CC(F)(F)CO1)[C@@H]1CCS(=O)(=O)C1 1748819459 OYZZKGUEEAOTBB-RTBURBONSA-N 464.538 2.228 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1CC1(NC(=O)OC(C)(C)C)COC1 1748836300 UOMNFUFVENBJLH-UHFFFAOYSA-N 481.553 2.329 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H](C)CN1CCOCC1 1748889261 HDQPCKDCNTVITB-FQEVSTJZSA-N 451.571 2.394 30 10 JEEE C#CCN(CC)c1nnc(-c2cc(Br)cn2C)n1CC1CCS(=O)(=O)CC1 1748912497 FEAQHNOLSRFJJV-UHFFFAOYSA-N 454.394 2.330 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H]2C[C@@H]2C)CC1 1749001509 URDULJBQENRNEJ-LPHOPBHVSA-N 468.989 2.483 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2Cc2nnc(CC)s2)CC1 1749009493 BPBIGLQIGCEFBB-UHFFFAOYSA-N 465.583 2.382 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2CCc2nccnc2C)CC1 1749016515 FSURYAHTNPZWKI-UHFFFAOYSA-N 457.582 2.484 30 10 JEEE C#CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1749024588 VRACUGSPMMQMKI-SFHVURJKSA-N 468.627 2.109 30 10 JEEE C=CCOc1ccccc1Cn1c(N2CC[C@@H](C(N)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1749690106 RBGQUKVLAXGQAJ-DVECYGJZSA-N 455.559 2.243 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(Cn2ccnn2)CC1 1749727470 VKKLSBIHBHDQML-UHFFFAOYSA-N 476.994 2.102 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@@H](C)c1ccc(F)c(F)c1 1749731814 KXBJUIYMUIKDGN-SUMWQHHRSA-N 453.515 2.306 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](c2ccccc2)C1 1749741074 ONRWWWCQADGNAL-HBMCJLEFSA-N 476.599 2.181 30 10 JEEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@H](NC(=O)CC)C1 1760160244 BXIJNVUSTFDRNB-FQEVSTJZSA-N 450.591 2.361 30 10 JEEE C#CCN(C)c1nnc(-c2ccc(Br)cc2)n1CCN/C(O)=C1\N=CC=CC1=O 1760167099 CIMFTSXQUSSWLA-HTXNQAPBSA-N 455.316 2.303 30 10 JEEE C#CCN(c1nnc(C(C)C)n1Cc1ccccc1CN1CCC[C@H]1CO)[C@@H]1CCS(=O)(=O)C1 1760184104 VIHLPQXSZJAMGD-XZOQPEGZSA-N 485.654 2.033 30 10 JEEE C#CCN(c1nnc(CC)n1CCCNc1ccc(C(F)(F)F)cn1)[C@H]1CCS(=O)(=O)C1 1760187630 XIAJUOMZDDCHIK-INIZCTEOSA-N 470.521 2.383 30 10 JEEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1C[C@@H]1CCO[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1760191569 JQGLGEKHPHHQFO-ZCNNSNEGSA-N 488.610 2.308 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCc2cccc(F)c2F)CC1 1760264798 GBAXPLNJPOSLRS-UHFFFAOYSA-N 493.518 2.412 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC=C(Br)C1 1760315812 JESHLVUHHZQERS-FMKPAKJESA-N 474.425 2.358 30 10 JEEE C=CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCC[C@H](O)C1 1760502640 HGOFVGYBOIFKCU-ROUUACIJSA-N 462.620 2.428 30 10 JEEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 1760526937 JWDBTJSNRDKCIT-INIZCTEOSA-N 460.604 2.158 30 10 JEEE C=CCOc1ccccc1Cn1c(N2CCC[C@@H](C(N)=O)C2)nnc1[C@@]1(OCC)CCOC1 1760534292 VCMUEGRTCRVOID-NTKDMRAZSA-N 455.559 2.245 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@]2(CCOC2)C1 1760550861 LTXMQMUOCLYVRL-IBGZPJMESA-N 484.420 2.264 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1760553478 DGEOYHSTPMVEGI-RDJZCZTQSA-N 453.609 2.496 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@@](C)(C(=O)NC)C1 1772659853 FYZVDUZWBDZJKR-HXUWFJFHSA-N 469.970 2.301 30 10 JEEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccccc1F 1865723371 OAQGQCKMPFVPSC-QGZVFWFLSA-N 458.534 2.394 30 10 JEEE CC[C@@H](NC(=O)CCS(=O)(=O)c1ccc(NC(C)=O)cc1)C(=O)Nc1cccc(C#N)c1 1866809292 MFLDIYZWQLXCHO-HXUWFJFHSA-N 456.524 2.214 30 10 JEEE C=CCN(CC=C)C(=O)[C@@H](CSCc1ccccc1)NC(=O)C[C@H]1CCS(=O)(=O)C1 1868591674 PMDKTAWXWDORCU-WOJBJXKFSA-N 450.626 2.430 30 10 JEEE C=CCN(CC=C)C(=O)[C@H](CCCC)NC(=O)c1ccc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)cc1 1868641285 COCOJALPUPPWFW-RTWAWAEBSA-N 496.651 2.137 30 10 JEEE CCC[C@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc(N2CCN(C)CC2)cc1 1869928348 JFIKOCFGCKGYKD-FQEVSTJZSA-N 455.584 2.284 30 10 JEEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)NCc1ccc(S(N)(=O)=O)cc1)n2CC 1873570225 JXNXRHDDNXZQHQ-UHFFFAOYSA-N 454.556 2.207 30 10 JEEE C=CCNc1ncnc2c1cc(C(=O)N1CCN(Cc3ccc4c(c3)OCO4)CC1)n2CCOC 1875224153 XRIGQKMMNIIPFI-UHFFFAOYSA-N 478.553 2.362 30 10 JEEE CCOc1ccc(-n2nnc3c(N4CCN(C(=O)c5cccc(C#N)c5)CC4)ncnc32)cc1 1891170946 KBWUKQMWQFAVEZ-UHFFFAOYSA-N 454.494 2.443 30 10 JEEE N#Cc1nccnc1OCC1CCN(C(=O)[C@H]2SCC(=O)N(C3CC3)[C@@H]2c2cccnc2)CC1 1891455339 PLTZHYGKGOADBD-YADHBBJMSA-N 478.578 2.208 30 10 JEEE N#CC1CC(O)(CS(=O)(=O)C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)C1 2019010039 CIVLGZFVQHBPFE-RDNFPUQESA-N 484.530 2.058 30 10 JEEE C#CCOCCOCC[S@@](=O)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 2019053810 RSFIJJPAMXLPLK-OHWKKVTOSA-N 485.558 2.393 30 10 JEEE C=CCN(CC(=O)N1C[C@@H]2C[C@H](C1)[C@@H](CO)[C@H]2NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C 2223126567 WKPHLDOSCOQUCD-NTDBWNAOSA-N 453.580 2.390 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2OC)C1 2255153920 PKVLUIIYOLGSSP-GBXAEXGJSA-N 451.564 2.434 30 10 JEEE COCCN(CCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1)C(=O)OC(C)(C)C 2255838778 LHRDFFDDVKSDMK-UHFFFAOYSA-N 455.386 2.056 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)CCCO1 2267003651 RSUWHUSISORDFO-MRXNPFEDSA-N 450.341 2.335 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1COC[C@@H]1NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2267151636 ZGRMDVIAOQTURK-GJZGRUSLSA-N 467.759 2.056 30 10 JEEE Cc1cc(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 2267152407 MPYRWKQYTIROON-HZPDHXFCSA-N 466.409 2.456 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC(CNC(=O)OCc2ccccc2)CC1 2267186752 OHUTXUOKSJSMOA-UHFFFAOYSA-N 482.390 2.498 30 10 JEEE CC(C)(C)OC(=O)NC[C@@]1(O)CCCN(C(=O)c2occc2B2OC(C)(C)C(C)(C)O2)C1 2267495590 NXBZNHXGQZPLKN-QFIPXVFZSA-N 450.341 2.071 30 10 JEEE Cn1nc(C(=O)N2C[C@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2267501838 DLJXMNRBYFWEFZ-GTJPDFRWSA-N 466.775 2.112 30 10 JEEE CC[C@@H](CN(CC)C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2267524983 XUVPJMXCMYIEGE-HNNXBMFYSA-N 450.389 2.485 30 10 JEEE CC(C)(C)OC(=O)N1CCN(CC(=O)NCc2sccc2B2OC(C)(C)C(C)(C)O2)CC1 2268648700 CGGCJBNZNDCRPD-UHFFFAOYSA-N 465.425 2.216 30 10 JEEE CC(C)(C)OC(=O)N1CCC2(CC(C(=O)N=c3nc(B4OC(C)(C)C(C)(C)O4)[nH]s3)C2)C1 2268676750 NNTCWPDKIKVOFG-UHFFFAOYSA-N 464.397 2.235 30 10 JEEE CC(C)(C)OC(=O)N1CC(N(C(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)[C@@H]2CCOC2)C1 2281809700 JFBMYWLXAXKKLF-CQSZACIVSA-N 479.408 2.293 30 10 JEEE Cn1cc(C(=O)N[C@]23CCC[C@H]2N(C(=O)OC(C)(C)C)CC3)c(B2OC(C)(C)C(C)(C)O2)n1 2281965784 LRJKIYOOESBHTL-MWTRTKDXSA-N 460.384 2.381 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CCC1(F)F 2281991233 XNIKHAABSWNKBG-AWEZNQCLSA-N 470.326 2.474 30 10 JEEE Cn1nc(C(=O)N2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@]3(C)C2)cc1B1OC(C)(C)C(C)(C)O1 2282052388 NPNZSOVOYPGGFI-CMJOXMDJSA-N 460.384 2.048 30 10 JEEE Cc1nn(C)c(C(=O)N=[S@](C)(=O)CCN(C)C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2282056684 VXHYWEYTBDMFHS-MGBGTMOVSA-N 484.428 2.133 30 10 JEEE Cc1nc(C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)[C@H](CO)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2282131056 RFHNQPKFFUDLRM-LSDHHAIUSA-N 481.424 2.098 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC1(C(=O)O)CN(C(=O)OC(C)(C)C)C1 2282131771 KKAHSNATXMTMDD-UHFFFAOYSA-N 460.336 2.098 30 10 JEEE CC1(C)OB(c2cscc2S(=O)(=O)N2C[C@H]3[C@@H](C2)OCCN3Cc2ccccc2)OC1(C)C 2282497447 PWYGKQQOALFIIN-VQTJNVASSA-N 490.456 2.321 30 10 JEEE C[C@@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)C[C@H]1CCNC(=O)OC(C)(C)C 2282541143 TUPVDKDDNWUHOU-HZPDHXFCSA-N 462.400 2.342 30 10 JEEE Cc1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H]3COC[C@@H]32)oc1B1OC(C)(C)C(C)(C)O1 2282581388 HJGSYQODCUZCQM-JKSUJKDBSA-N 462.352 2.348 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)o3)C2)C1 2282626032 DANGDNLDXBNIFL-QHCPKHFHSA-N 462.352 2.431 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H](CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)C(F)(F)F 2282626797 DUFSITAXXWIGHS-GFCCVEGCSA-N 474.289 2.209 30 10 JEEE C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282829664 ICXZKFTXTOBFRM-WBVHZDCISA-N 481.424 2.447 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C2(CC1)CC2 2283056630 PCGUWTKTAMJRFN-UHFFFAOYSA-N 458.368 2.391 30 10 JEEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@@H](NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)C2 2283056647 PGPMRSBRZQAJMJ-PHZGNYQRSA-N 458.368 2.436 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@@]2(C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)C1 2283959913 RMBZXXYUPAJNIY-FPTDNZKUSA-N 479.408 2.085 30 10 JEEE C[C@@H](NS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1)[C@@H]1CCCN1C(=O)OC(C)(C)C 2286900200 FCVCFBAJLSOQBH-QAPCUYQASA-N 481.424 2.447 30 10 JEEE CC(=NNc1nc2c(c(O)nc(=O)n2C)n1C[C@@H](O)COc1ccc(C)cc1)c1ccccc1 2318581774 LFVAFDYHHSQWJA-GOSISDBHSA-N 462.510 2.420 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(=O)O)N(C(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C1 2362496693 MZRLSPAZYPERNO-JSGCOSHPSA-N 481.380 2.025 30 10 JEEE COc1nc(N2CC[C@@H](NC(=O)OC(C)(C)C)[C@H](CO)C2)ccc1B1OC(C)(C)C(C)(C)O1 2365344687 QWHZOWGUUOZISK-DOTOQJQBSA-N 463.384 2.101 30 10 JEEE CC(C)(C)OC(=O)N(CCO)CCC(=O)NCCc1ccccc1B1OC(C)(C)C(C)(C)O1 2368520685 JWJXEBBCDGELGZ-UHFFFAOYSA-N 462.396 2.264 30 10 JEEE O=C(CSc1n[nH]c(N/N=C/c2ccncc2)n1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 20837647 SEHZINSWOLMEJS-LPYMAVHISA-N 486.583 2.161 30 10 JEEE N#C[C@@H]1C(=O)Nc2nc(N3CCC(C(N)=O)CC3)[nH]c(=O)c2[C@H]1c1ccc(Cl)cc1Cl 72443741 MDXZVWYDUPJWFV-JSGCOSHPSA-N 461.309 2.002 30 10 JEEE COc1cc([N+](=O)[O-])cc(/C=N\Nc2nc3c(c(=O)[nH]2)CN(Cc2ccccc2)CC3)c1O 169897471 XFGPIEICZLOOPI-KSEXSDGBSA-N 450.455 2.397 30 10 JEEE COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)N(C)CCO4)=C(O)C(=O)N2CCN(C)C)cc1O 170111908 JOOWRVPBCIMJFE-QFIPXVFZSA-N 467.522 2.369 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)C[S@@](=O)CC(=O)Nc3nc(C)c(C(C)=O)s3)cc21 586354645 FEBURJIMFUIFQS-JGCGQSQUSA-N 475.548 2.136 30 10 JEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)c(Cl)c2)c(=O)n1C[C@H]1CCCO1 603798173 KAPPZHIWSHFCLM-CQSZACIVSA-N 464.374 2.201 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)Nc3cc(S(C)(=O)=O)ccc3NCCOC)cc2C1=O 1150845182 NBCBLWXMISXBEZ-UHFFFAOYSA-N 457.508 2.183 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(N(C)C)CCOCC1 1286294726 FPFHGSCJMBANAW-RTBURBONSA-N 476.622 2.155 30 10 JEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCNC(=O)c1cccc(C)c1 1286376131 FYCMOUXOVMOXAL-FQEVSTJZSA-N 482.585 2.394 30 10 JEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(COC)CCOCC1 1286377090 RSAZIDWOFSTDNK-SFHVURJKSA-N 463.579 2.099 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCCn1ccnn1)[C@H]1CCS(=O)(=O)C1 1286382524 AXYWKQGQTSHZSR-SFTDATJTSA-N 497.625 2.343 30 10 JEEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1C[C@H](CC(C)C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1286390645 DBCRKGLGYGFOMC-YADHBBJMSA-N 497.669 2.120 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1Cc1cccn(CC)c1=O)[C@H]1CCS(=O)(=O)C1 1286392530 HKDXOZJXCZICKC-QFIPXVFZSA-N 479.606 2.034 30 10 JEEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1CCC1(C)CC1)[C@@H]1CCS(=O)(=O)C1 1286397972 VSYSBRUTBHTWKQ-MRXNPFEDSA-N 461.613 2.087 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccccn2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1286425348 JOLMFPJTLJMKEO-CTNGQTDRSA-N 452.584 2.007 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2CCc2noc(CC)n2)CC1 1286490217 NZEDYIFBKWXUTP-UHFFFAOYSA-N 463.542 2.108 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)CC1 1286491196 IPXLZBRYXQPASB-IBGZPJMESA-N 495.628 2.485 30 10 JEEE C#CCSCCn1c(N2CCO[C@H](c3cnn(CC)c3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1286513491 WGKNNXIOPSOYLN-NZQKXSOJSA-N 474.631 2.479 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C(=O)NC)CC1 1286552282 PKFRIMVJKFOWIO-NQIIRXRSSA-N 470.574 2.405 30 10 JEEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(c2ccccc2)CC1 1286601451 VLLRKDAUBIEIHF-IBGZPJMESA-N 462.620 2.198 30 10 JEEE C=CCCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(CC(=O)NCC)CC1 1286684959 PAPGIMGRTUWAMW-UHFFFAOYSA-N 454.575 2.331 30 10 JEEE C=CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1286690797 WDIZRRFBMNRJCC-PNJWGLBASA-N 474.650 2.347 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C 1286759014 YDESXHMQCLSGJW-ZWKOTPCHSA-N 498.650 2.045 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(Cl)cc2OC)C1 1286800699 PLHMGYHAMTUNPZ-PBHICJAKSA-N 469.995 2.380 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc3ccccc3o2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1286814584 CUGNWKYVTCXULR-KRWDZBQOSA-N 478.596 2.306 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](c2ccc(F)cc2)C1 1286820626 OLNLPCPVEPPWDS-AZUAARDMSA-N 464.563 2.490 30 10 JEEE Cn1nncc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 1298910924 DCUWUZDSHBKCPS-SFHVURJKSA-N 463.546 2.487 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CC2(C)Cc3ccccc3C2)CC1 1300710449 BDGPBRUCENZSSP-UHFFFAOYSA-N 462.598 2.187 30 10 JEEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1300973379 ZWLMYLHVYXUSGC-KSZLIROESA-N 451.568 2.308 30 10 JEEE C=CCCOCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN2C(=O)NC[C@H]2C1 1301252146 KTNYOFVBGHFXNK-OALUTQOASA-N 489.621 2.199 30 10 JEEE CCC[C@H](C)C(=O)NCCn1c(Cc2ccncc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1306549278 FVLXPBUKLHOVCA-FQEVSTJZSA-N 487.612 2.410 30 10 JEEE COC(=O)Nc1cccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)c1 1315128446 AHOXBQVNRJQRLE-KRWDZBQOSA-N 458.544 2.147 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1C[C@@H](C)CN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1358958230 JWBHSNWOOBGFGN-GHTZIAJQSA-N 492.045 2.194 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1Cc1cc(C)no1)[C@H]1CCS(=O)(=O)C1 1358966431 OVONJGBXNOGSTL-SFHVURJKSA-N 455.540 2.137 30 10 JEEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1CC1(CC)CC1)[C@H]1CCS(=O)(=O)C1 1358966772 WPBHKPAIAGPGRT-INIZCTEOSA-N 461.613 2.087 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCc2nccn2C1 1358987600 MHZIBXNTVYRPID-FQEVSTJZSA-N 491.621 2.117 30 10 JEEE C#CCN(CC#CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCCNC(C)=O 1358993768 WTGJKQBWFGQYOI-UHFFFAOYSA-N 456.591 2.382 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@]2(O)CCSC2)CC1 1359034777 CGVUAYGOSLEGHL-DVECYGJZSA-N 490.674 2.016 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)CC(=O)Nc1ccc(C)cc1 1359090699 FGBBLRFUNAWNOR-UEXGIBASSA-N 490.630 2.253 30 10 JEEE C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1359201949 FERASNYSBPOFIQ-WOJBJXKFSA-N 457.623 2.109 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1C[C@]1(O)CCSC1 1359255279 UCMSSMGEGDUPMS-HSZRJFAPSA-N 452.584 2.446 30 10 JEEE C=CCN(CC=C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCOC[C@@H]1OC 1359270135 CPGWOSZLRYZDBH-MJGOQNOKSA-N 460.604 2.468 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1359305299 ZIYOCWJKRICLNA-ZWKOTPCHSA-N 458.950 2.060 30 10 JEEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N2CC(CO)(CO)C2)ccc1Cl 1471785214 PGXOAPSEOBPYOP-UHFFFAOYSA-N 450.944 2.148 30 10 JEEE C=C(C)C[C@@H](CO)NC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N1CCOCC1 1475918036 UBMCDOSBTPVTHQ-KRWDZBQOSA-N 454.593 2.002 30 10 JEEE CC[C@@H](C)N(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1496121323 FBEUZGNZAXMCPA-GOSISDBHSA-N 473.647 2.455 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C(=O)N(CC)CC)cc1 1507538610 NYSIKNXRQXOVOO-XLIONFOSSA-N 457.600 2.168 30 10 JEEE C#CCN(c1nnc(-c2ccccc2)n1CCNC(=O)c1cccs1)[C@@H]1CCS(=O)(=O)C1 1507629183 KIDOEBRBXSVWBW-GOSISDBHSA-N 469.592 2.063 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCO[C@@H]1CCCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1507637108 HIAZSOVYNYMPSL-KGWSWXIGSA-N 494.658 2.224 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc3ccccc3n2)n1C[C@@H]1CC(=O)N(CCOC)C1 1507669312 VOAGQGBSSVIFFA-HXUWFJFHSA-N 456.550 2.451 30 10 JEEE C#CCN(CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC1(N2CCOCC2)CC1 1507680423 GMMBOEHGGPCGNV-UHFFFAOYSA-N 455.559 2.295 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCOC[C@H]1OC 1507701525 JQGSIYFSRULKKO-QKNQBKEWSA-N 476.574 2.011 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCC(=O)N(C)C 1507711308 SZRZFOWWBLVFKJ-LJQANCHMSA-N 476.622 2.347 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCC(C)(C)O)CC1 1507734801 YPCLOSSHORSUFO-UHFFFAOYSA-N 463.380 2.163 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(OC(C)(C)C)nc2)CC1 1507737581 CFWHEBNZJBVQLV-UHFFFAOYSA-N 474.569 2.322 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2cn(CCCCC)nc2C)CC1 1507738551 RISTYZPJRZEDJF-UHFFFAOYSA-N 477.617 2.388 30 10 JEEE C=C(C)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1507829829 MESFYCLZOSUMPQ-RCCFBDPRSA-N 463.579 2.329 30 10 JEEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1507965507 SDNKEVDXZPYMCX-ROUUACIJSA-N 489.589 2.075 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(c2cc(F)ccc2F)CC1 1508083803 CSUHAHQAEIRNCJ-UHFFFAOYSA-N 453.497 2.171 30 10 JEEE C=CCOc1ccc(Cn2c(N3CC[C@](C)(C(N)=O)C3)nnc2[C@]2(OCC)CCOC2)cc1 1508104774 NHHQHXORVYBFSQ-ZEQRLZLVSA-N 455.559 2.245 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2nncn2C)C1 1508125804 FZDQQHYOSIDTHK-IXDOHACOSA-N 458.567 2.007 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1508143879 PHFUXZCGWRBWTK-UHFFFAOYSA-N 488.658 2.294 30 10 JEEE CCN(C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](OC)C2CC2)CC1)S(C)(=O)=O 1515446881 FZSBNQPOELRQCA-NRFANRHFSA-N 472.615 2.492 30 10 JEEE CN(CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(S(C)(=O)=O)CC1)CC(F)(F)F 1517310622 CMASNHLNTOHFRG-UHFFFAOYSA-N 470.521 2.324 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1538992533 SZBMLBKXEVVSSQ-GJZGRUSLSA-N 496.431 2.456 30 10 JEEE C#CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1539120055 QMUKLXNQPLASFZ-SFHVURJKSA-N 465.620 2.429 30 10 JEEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC(F)(F)C1(OC)CCOCC1 1539237274 BUOURNRBNIQZTC-OAQYLSRUSA-N 466.529 2.222 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)c1cccc(Cl)c1 1539324837 XZCMENLSQYSBKS-JTSKRJEESA-N 460.987 2.204 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCN2C[C@@H](C)C[C@H](C)C2)CC1 1539428451 RMIHYLBJOJROSQ-SFTDATJTSA-N 464.618 2.049 30 10 JEEE C#CCN1CCN(c2nnc(C3(c4ccccc4)CCC3)n2CC(=O)NCC(F)(F)F)CC1 1539430513 KNGAENHGSDCULD-UHFFFAOYSA-N 460.504 2.182 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1539596459 MDEFVTVQJQDDHZ-OAHLLOKOSA-N 476.441 2.331 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)C[C@@H](C)C(=O)NC 1539627096 HXRIVDAMAQWBQC-LMMKCTJWSA-N 489.646 2.038 30 10 JEEE C=CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2CCOC[C@@H]2C1 1539966408 JDVDNXBHXVDGAL-PMACEKPBSA-N 476.622 2.464 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2C[C@@H](COC)O[C@H](C)C2)cc1 1540877554 ZAJDERWZEYPNOX-NQIIRXRSSA-N 455.559 2.367 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCN2CCSCC2)C1 1540884713 UCCCKTLEFLWESM-UGKGYDQZSA-N 451.637 2.149 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCN(CCN3[C@H](C)CC[C@H]3C)CC2)nnc1C(C)(C)C 1540908513 IHNNOBXORDBDCQ-WOJBJXKFSA-N 466.696 2.171 30 10 JEEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 1540916007 QZPHDCCJYNLJDI-MRXNPFEDSA-N 457.560 2.383 30 10 JEEE CC(=O)N(C)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCO[C@@H]2CCOC2)CC1 1540933118 FKLRHSNIMPZFGB-HSZRJFAPSA-N 482.585 2.371 30 10 JEEE COc1ccc(CC(=O)N2CCN(c3ccc(C#N)c(C(F)(F)F)c3)C[C@@H]2C(N)=O)cc1OC 1548368079 QTFPQMSKWMAGSG-GOSISDBHSA-N 476.455 2.339 30 10 JEEE N#Cc1ccc(CN2CC[C@H](NC(=O)N3CCCN(C(=O)CC4CCCC4)CC3)C2=O)cc1 1564689450 HBYKZPZELOKOBG-QFIPXVFZSA-N 451.571 2.483 30 10 JEEE C#CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCc1ccc(S(N)(=O)=O)cc1 1588020094 DRFCIVVXRLGMCK-IBGZPJMESA-N 488.614 2.310 30 10 JEEE C#CCN(c1nnc(C(C)C)n1C[C@@H](C)CNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1588030205 QSVOIYOLFMFWGC-DLBZAZTESA-N 453.609 2.189 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@H](C(C)C)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1588049546 ICJWCIFAOHZYIN-IFMALSPDSA-N 470.643 2.396 30 10 JEEE C#CCN(c1nnc(COCC)n1Cc1ccc(N2CCC(C)CC2)nc1)[C@H]1CCS(=O)(=O)C1 1588075125 YHGOUKCFSCEDQP-NRFANRHFSA-N 486.642 2.121 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1CC[C@@H](C(F)F)N1CCOCC1 1588481470 JWQQKAFWVCHSBJ-UXHICEINSA-N 490.530 2.364 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2Cc2cccc(NC(C)=O)c2)CC1 1588930562 ZBWXSKQGRCGSRJ-JOCHJYFZSA-N 464.570 2.492 30 10 JEEE C=C1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCCn2cc(CO)nn2)CC1 1594142550 DIYDZWJONVIPFE-HDICACEKSA-N 472.594 2.379 30 10 JEEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1595398556 GKIXUZPBUBATJA-SFHVURJKSA-N 487.649 2.368 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCN(C)c2ccccc2)C1 1595723436 WQJHQFGMGBGGFY-PZJWPPBQSA-N 459.616 2.488 30 10 JEEE C=CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1595877939 DKJUXYWVLJKALS-HXUWFJFHSA-N 490.674 2.032 30 10 JEEE C#CCn1ccc(CN(CCOC)C(=O)c2c[nH]nc2[C@H]2CCN(C(=O)OC(C)(C)C)C2)n1 1618759918 VSTAJEVPGKFTQY-KRWDZBQOSA-N 456.547 2.253 30 10 JEEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)CC1 1634171212 YFBHVWZJAYGAED-SFHVURJKSA-N 451.552 2.081 30 10 JEEE N#Cc1ccc(O[C@H]2CCN(S(=O)(=O)c3cc(Br)cc4c3OCC4)C2)nc1 1655495347 CDAZLKDJLOVLDR-HNNXBMFYSA-N 450.314 2.493 30 10 JEEE CNS(=O)(=O)Cc1ccc(CNC(=O)NC2CCC(Oc3ncccc3C#N)CC2)cc1 1681966498 HEKJCRBWLZUPCB-UHFFFAOYSA-N 457.556 2.192 30 10 JEEE C#CCCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1689893331 XPQGSGJFFYFBAU-PXNSSMCTSA-N 459.572 2.112 30 10 JEEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1CCCn1cc(Br)cn1 1689973840 SJERBNFQRZOQOQ-UHFFFAOYSA-N 462.377 2.388 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)o2)n1Cc1ccccc1OCCN(C)C)[C@@H]1CCS(=O)(=O)C1 1689984098 LDVCDHSCLCXPRB-OAQYLSRUSA-N 497.621 2.462 30 10 JEEE C#CCN(c1nnc(COCC)n1CCc1ccn(-c2ccc(F)cc2)n1)[C@@H]1CCS(=O)(=O)C1 1689996996 TUIVLASQKBABAT-OAQYLSRUSA-N 486.573 2.009 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](CC)N1CCc2ccccc2C1 1690020061 XXGPJXCFKIRLQE-PKTZIBPZSA-N 465.623 2.090 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1(CS(C)(=O)=O)CC1 1690028091 KGITZVLBQBGEOY-SFHVURJKSA-N 475.615 2.248 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)C(=O)NCC 1690091179 LCOTVYKAEUZHPH-SFHVURJKSA-N 475.590 2.121 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CSc3ccccc3OC)n2CC2(O)CCC2)CC1 1690154031 HVZHMRZTHYTMJO-UHFFFAOYSA-N 469.611 2.460 30 10 JEEE C=C(Br)Cn1c(COCC)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1690233225 AFDUZEBJEGWIBP-SFHVURJKSA-N 463.380 2.072 30 10 JEEE C=C(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1690278972 ZOBAGOYOTOMYOO-LAUBAEHRSA-N 453.547 2.418 30 10 JEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccccc2OC)CC1 1690310011 QLYYEMHTLYDJQA-HXUWFJFHSA-N 454.575 2.153 30 10 JEEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1690361515 XCORACIEBXBBMA-OWSLCNJRSA-N 455.987 2.122 30 10 JEEE C=CC1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1690395018 VBCVICJXUAJSTP-QHCPKHFHSA-N 473.599 2.099 30 10 JEEE C=CCN(c1nnc(-c2ccc(Br)s2)n1C[C@]1(O)CCS(=O)(=O)C1)C1CC1 1690539898 QHUYWDLHJOAERA-QGZVFWFLSA-N 473.418 2.474 30 10 JEEE C=CCn1c(N2CCN(CC(=O)Nc3ccccc3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1690653510 VENGMWFBWVTVSO-DEOSSOPVSA-N 454.575 2.265 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CC1(O)CCOCC1 1694336517 FUIQNTXACUIIHT-UHFFFAOYSA-N 495.628 2.326 30 10 JEEE CCN(CC)C(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)CN(C)C)CC1 1695596447 FRGROQDRXLFLRN-UHFFFAOYSA-N 480.661 2.395 30 10 JEEE CN1CC[C@](O)(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H](OCC(F)(F)F)C2)C1 1696874946 AGIWOXRRFMRTJD-WIYYLYMNSA-N 464.492 2.431 30 10 JEEE COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(OC(C)C)nc2)CC1 1697705662 CCFARFXEVYQLMS-UHFFFAOYSA-N 475.553 2.342 30 10 JEEE C#CCCCn1c([C@H](CC)c2ccccc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1705524420 LPTOMSVKYCGAEX-OAQYLSRUSA-N 450.587 2.407 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1Cc1cc(F)ccc1OC)[C@H]1CCS(=O)(=O)C1 1705565170 SXKUNGPLLRBFKH-SFHVURJKSA-N 457.531 2.106 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(C)n2)n1Cc1ccccc1S(=O)(=O)N(C)C 1705595817 HSUNQFITTDJPQK-UHFFFAOYSA-N 462.579 2.410 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC[C@H](C)N2CCCCC2)CC1 1705635063 PXGYAMLPOCJINV-WIOPSUGQSA-N 458.651 2.338 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Br)cc3)n2CCCNC(C)=O)CC1 1705646557 HSDVKAMBDHPUGL-UHFFFAOYSA-N 487.402 2.200 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@@H](C(C)C)N2CCCC2)CC1 1705650306 OZBFIGDOCYSOFC-QHCPKHFHSA-N 463.630 2.350 30 10 JEEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C[C@H]2CCCO2)CC1 1705725433 AGMZFBCONUNVFZ-UXHICEINSA-N 476.622 2.464 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCC(=O)N2CCOCC2)C1 1705915145 AVTJMYOVFOLKOZ-INIZCTEOSA-N 479.379 2.066 30 10 JEEE CC(C)N(C)CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)CC1 1706546469 BPNPTKOOEOWDIY-UHFFFAOYSA-N 485.658 2.409 30 10 JEEE CN(CCc1cnccn1)c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)C(C)(C)C 1711180698 HBIONHMPNMPFGS-UHFFFAOYSA-N 453.572 2.499 30 10 JEEE CNC(=O)C(C)(C)Cn1c(C2CCCC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1711290884 HPIVLFMGQKZCNB-MRXNPFEDSA-N 451.579 2.085 30 10 JEEE CO[C@@H]1COCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](CNC(C)=O)C1 1712100033 ASWCYMRAOVBCOG-MQSCRBSSSA-N 482.585 2.133 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1722281007 XNFCDOASFKGCHY-DFIYOIEZSA-N 468.602 2.445 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@H]1NC(=O)CC1(C)C 1722303437 ZGPVXWDNYYRQIP-IFMALSPDSA-N 463.630 2.015 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCC(F)(F)C2)c1 1722305594 SJXCYDWDTRTBAM-DOTOQJQBSA-N 494.568 2.380 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CCCCN1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1722367128 UUIOYBHSGKUADF-HSZRJFAPSA-N 484.670 2.403 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC[C@](C)(O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1722372556 ZBOADNMJRLTZGP-DHLKQENFSA-N 496.637 2.064 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@H]1CC[C@H](CO)O1 1722393661 GSEZSEUJEWKMKR-VQTJNVASSA-N 474.565 2.239 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@](C)(O)c2ccco2)CC1 1722436217 ZZTKKCCVBGGGEZ-DEOSSOPVSA-N 451.527 2.218 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@H]2CN(CC(C)C)CCO2)CC1 1722442990 LLDUWMRLFHJVBO-NRFANRHFSA-N 468.602 2.169 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CC[S@@](=O)C(C)(C)C)CC1 1722448230 WSMBQTHEVBLMFQ-AAKBJARWSA-N 499.637 2.304 30 10 JEEE C#CCSCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1722452871 TUCWNFJOQWAEHG-LJQANCHMSA-N 480.619 2.328 30 10 JEEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 1722463374 ZZZXXNSTDFZNBD-JTHBVZDNSA-N 495.697 2.447 30 10 JEEE C=C(C)COCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(CNC(C)=O)CC1 1722534712 PPTLTGOSXSYWMI-UHFFFAOYSA-N 489.646 2.183 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(c2cnn(C)c2)CC1 1722588197 MVGCFMDRUYTOTR-HXUWFJFHSA-N 491.662 2.331 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 1722726375 DCGGCSOLDDLLKG-JOCHJYFZSA-N 473.643 2.392 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCC(Nc2cccnn2)CC1 1722728881 ZUXIQAARRCEHTR-UHFFFAOYSA-N 468.587 2.120 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCc1ccc(F)c(F)c1F)[C@@H]1CCS(=O)(=O)C1 1740626112 JPNWHPJKCDGFHN-DLBZAZTESA-N 482.528 2.459 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1Cc1ccc(F)cn1)[C@@H]1CCS(=O)(=O)C1 1740628880 VVTNMOYNDIXINY-HXUWFJFHSA-N 469.542 2.375 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC(NC(=O)Nc2ccc(F)cc2)CC1 1740959839 FTOLPJYQBFSKEN-INIZCTEOSA-N 471.537 2.014 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCOC3)n2CCNc2nccc(C(F)(F)F)n2)C1 1740982969 ZCGLNLQMXPGHLJ-GJZGRUSLSA-N 453.469 2.484 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Br)c2)nnc1N1CCN(C(=O)OC)CC1 1740986902 KJSZOSMPGNXDBL-UHFFFAOYSA-N 498.403 2.197 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCOc1ccccc1Cl 1741924861 DXMAPAGSKWMEFK-UGSOOPFHSA-N 456.931 2.063 30 10 JEEE CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCOC[C@@H]2C)CC1 1746134685 DQFVWXVHJGVOPY-REWPJTCUSA-N 479.629 2.480 30 10 JEEE CN(C)C(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C2CCOCC2)C1 1747538097 FOEZAFVKQJEMMQ-FQEVSTJZSA-N 452.559 2.460 30 10 JEEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(C)cc1C)[C@@H]1CCS(=O)(=O)C1 1748804590 IVOWWWCCPPQPBP-ZJSXRUAMSA-N 472.611 2.222 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@@H]1CCCN1CC)[C@@H]1CCS(=O)(=O)C1 1748818653 CXXZIXGEFJDJKL-VQTJNVASSA-N 459.591 2.119 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1CCCN1CCCO[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1748820017 XHQHRKGBCZEKSM-VWNXMTODSA-N 499.681 2.305 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1CCc1cccc(C(=O)NC)c1 1748852941 RCLZOHQFQCRPKN-UHFFFAOYSA-N 451.534 2.192 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCCOc2ccccc2C)CC1 1748978857 QQNPWKTVJLGFJX-RUZDIDTESA-N 453.587 2.463 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC(C)(C)OC)CC1 1749003680 RSFDGAVUVKQBOP-UHFFFAOYSA-N 463.380 2.427 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2nc3cccc(Cl)c3n2C)CC1 1749019250 QUPJHNNAZTVZQB-UHFFFAOYSA-N 469.977 2.369 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 1749020678 ZKLBSRQBAVGQIO-KRWDZBQOSA-N 494.577 2.363 30 10 JEEE C#CCSCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1749023786 WOHPGOAJGXLPKV-WMZOPIPTSA-N 486.573 2.396 30 10 JEEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1749116082 ZNZQVSKANNHQKC-HUUCEWRRSA-N 463.398 2.068 30 10 JEEE C=C(C)COCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@@H](C)[C@@H](O)C1 1749226206 OLFLVMPETBSICZ-XLIONFOSSA-N 452.559 2.475 30 10 JEEE C=C1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H]2CCS(=O)(=O)C2)CC1 1749304080 UMHWKLLTYMTYDJ-QZTJIDSGSA-N 481.619 2.178 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 1749655307 HFDBHARKUQUPTG-OAHLLOKOSA-N 493.406 2.360 30 10 JEEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(C(C)(C)C)n1CCCN1CCCO[C@H](C)C1 1752402256 FCMPMQPVAWGHJM-VQTJNVASSA-N 481.649 2.453 30 10 JEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@H](CC)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1760179580 UVDZLEIVICZKIS-FPOVZHCZSA-N 469.611 2.335 30 10 JEEE C#CCN(c1nnc([C@H]2COc3ccccc3O2)n1CCCOC(F)F)[C@@H]1CCS(=O)(=O)C1 1760186644 PVKJYHRDRWIJOE-CRAIPNDOSA-N 482.509 2.047 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H](C)Oc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1760188613 POZWBPWESODSQA-QWFCFKBJSA-N 476.574 2.405 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@](C)(O)c1cc(C)oc1C)[C@@H]1CCS(=O)(=O)C1 1760189041 GDVKDIINCMKNMR-YKSBVNFPSA-N 483.594 2.008 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@H]1CC(=O)N(CCOC)C1 1760201972 PAXJWFQYZBVBTH-IBGZPJMESA-N 458.522 2.168 30 10 JEEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CCNC(=O)c1ccccc1F 1760211599 KFQASWNBTRULCR-VWLOTQADSA-N 467.545 2.351 30 10 JEEE C#CCN(CC)c1nnc(-c2cc(Br)cn2C)n1C[C@H]1CC(=O)N(CCOC)C1 1760226537 VDFRXXZKGJEJFO-HNNXBMFYSA-N 463.380 2.001 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@H](N1CCOCC1)C(F)(F)F 1760248738 DETPOODDJJQAHH-UXHICEINSA-N 495.502 2.140 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@](C)(O)[C@@H](C)CC)CC1 1760252973 ZNXIZHUPSZMNOR-MHECFPHRSA-N 473.021 2.414 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1760328641 YXEAGCVZGDSNAI-LUYSREMJSA-N 461.607 2.478 30 10 JEEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1760433639 JLMHOUZGFQXFGK-ZWKOTPCHSA-N 461.544 2.276 30 10 JEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H]1CCCO[C@@H]1c1ccccc1 1760510200 KOPUIWIQFBXYDT-QHAWAJNXSA-N 475.615 2.401 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@H](n2cncn2)C1 1760524284 UJMHNSIGXFHCNB-MOPGFXCFSA-N 499.620 2.128 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(N2CCCCC2)CC1 1760526777 SOEPCFVIWBBOFP-UHFFFAOYSA-N 463.586 2.486 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N(C)C1CCC2(CC1)OCCO2 1760527850 KKZLBLNKLUINLD-UHFFFAOYSA-N 459.522 2.420 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2sccc2[C@@H]1CC 1760548454 GXCVTPPYDUWJBZ-HOCLYGCPSA-N 487.673 2.064 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](c2ccnn2C)C1 1760557537 OPDZXZDLXBQUBS-HXUWFJFHSA-N 495.609 2.447 30 10 JEEE C=CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1760569038 ASZNQKABVRFHJG-JOCHJYFZSA-N 495.653 2.391 30 10 JEEE CC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCN2S(C)(=O)=O)CCS1 1763580937 GTDREAQMUGAMAC-UYAOXDASSA-N 490.655 2.485 30 10 JEEE CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ncc(CC)s2)CC1 1767213954 FKTNKYIFUYXNPK-UHFFFAOYSA-N 464.599 2.142 30 10 JEEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CSCCS2)C1 1767251724 CDWJGUFZJUCRFD-MSOLQXFVSA-N 478.669 2.183 30 10 JEEE CNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2C[C@H](C)O[C@H](C)C2)CC1 1769233580 FXIXVPYDHGYLRG-BGYRXZFFSA-N 495.628 2.190 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@@H]2c2ccc3c(c2)OCCO3)cc1F 1862644741 RWUFCIZFYOOINH-OAQYLSRUSA-N 470.453 2.320 30 10 JEEE N#Cc1nnn(-c2ccc(OC(F)(F)F)cc2)c1NC(=O)CN1C(=O)c2ccccc2C1=O 1870143997 KAYQRRAOQZQGKG-UHFFFAOYSA-N 456.340 2.272 30 10 JEEE C=CCn1cc(OCC(=O)N(C)C[C@@H]2CCCO2)c(=O)cc1CNc1ccc2c(c1)OCO2 1870992375 RDFSJWSXBUHUAU-IBGZPJMESA-N 455.511 2.391 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)O 2123817248 WXRGIMMCQCWVQH-HZPDHXFCSA-N 468.551 2.496 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@H](CC(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2187901396 HYYFQKRLISHWME-CVEARBPZSA-N 462.356 2.177 30 10 JEEE CON(CCNC(=O)OC(C)(C)C)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2247880531 GUTLZIBUCMNJPY-UHFFFAOYSA-N 462.399 2.124 30 10 JEEE CC(C)(C)OC(=O)N1CC(NS(=O)(=O)c2ccc(F)cc2B2OC(C)(C)C(C)(C)O2)C1 2255801114 YLMJYPGYRHCUGJ-UHFFFAOYSA-N 456.345 2.023 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)[C@@H](O)C1 2255810156 AFIMZKBPZREFPO-HOTGVXAUSA-N 452.382 2.147 30 10 JEEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1nn(C)c(Cl)c1B1OC(C)(C)C(C)(C)O1 2267179476 QPEPKWNFZMHHPR-CHWSQXEVSA-N 468.791 2.358 30 10 JEEE Cc1cc(S(=O)(=O)NC[C@H]2C[C@@H]2NC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2267364627 BYQFNPPIIPNSDK-QAPCUYQASA-N 466.409 2.486 30 10 JEEE CC(C)(C)OC(=O)N1CCC12CN(S(=O)(=O)c1cccc(B3OC(C)(C)C(C)(C)O3)c1)C2 2267717804 JLCPZNRVNRGFKK-UHFFFAOYSA-N 464.393 2.370 30 10 JEEE C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@H](C)c1nscc1B1OC(C)(C)C(C)(C)O1 2268639371 OCCTZVXGJPJKKN-XJKCOSOUSA-N 469.413 2.236 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C2(CCC2)C1 2268718315 XGOCTYMXMSSFSX-ZDUSSCGKSA-N 464.397 2.235 30 10 JEEE Cn1nc(C(=O)NC2[C@H]3CC[C@H]2CN(C(=O)OC(C)(C)C)C3)cc1B1OC(C)(C)C(C)(C)O1 2281961634 OQLILEWQCBCDQZ-GJZGRUSLSA-N 460.384 2.095 30 10 JEEE CCc1nn(C)c(C(=O)N[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2281978818 IZJPPWNWWMJHEQ-HSZRJFAPSA-N 462.400 2.411 30 10 JEEE Cn1nc(C(=O)N2C[C@H](NC(=O)OC(C)(C)C)CC23CCC3)cc1B1OC(C)(C)C(C)(C)O1 2281981476 NSYJNNIQVJJQPP-OAHLLOKOSA-N 460.384 2.381 30 10 JEEE Cc1nn(C)c(C(=O)N2C[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C2)c1B1OC(C)(C)C(C)(C)O1 2281983357 TUGCRXWWQXTLEQ-HUUCEWRRSA-N 462.400 2.498 30 10 JEEE Cc1nc(C(=O)NC[C@H]2CN(C)CCN2C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2282019993 SVGQRBJEYGDCTM-HNNXBMFYSA-N 480.440 2.032 30 10 JEEE CCn1cc(C(=O)N[C@H]2C[C@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)nc1B1OC(C)(C)C(C)(C)O1 2282045089 TZJSXRJHWUELCP-YQQAZPJKSA-N 460.384 2.330 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C1 2282045261 ZNKPLFWWVBYVKV-MRXNPFEDSA-N 462.400 2.485 30 10 JEEE CC(C)(C)OC(=O)NCCc1nc(NC(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)n[nH]1 2282179310 SSXQQORWNZTZFM-UHFFFAOYSA-N 457.340 2.423 30 10 JEEE CCO[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)[C@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2282179731 OFYBPNNLMIFFTK-KZNAEPCWSA-N 461.368 2.181 30 10 JEEE CN(C[C@@H](O)CN(C)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1F)C(=O)OC(C)(C)C 2282406876 PUBGKRMSVSNQFY-INIZCTEOSA-N 466.359 2.425 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@@H](C)CNC(=O)OC(C)(C)C 2282508825 BOAOCDKLEBRGNE-HNNXBMFYSA-N 484.424 2.434 30 10 JEEE CC(C)(C)OC(=O)N1CC(C[S@@](C)(=O)=NC(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)C1 2282515301 PPMDHKGILNKKQF-MGBGTMOVSA-N 479.408 2.486 30 10 JEEE C[C@@H]1CCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)C[C@@H]1CNC(=O)OC(C)(C)C 2282534200 ROOLOMZZHHJDKR-CVEARBPZSA-N 462.400 2.342 30 10 JEEE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1N(C)C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282552360 POKFVBUQQDLWIW-WBVHZDCISA-N 462.400 2.437 30 10 JEEE Cn1cc(C(=O)N[C@]23CCCN(C(=O)OC(C)(C)C)C[C@@H]2C3)nc1B1OC(C)(C)C(C)(C)O1 2282553570 YTTIQILNYTYSDW-WNSKOXEYSA-N 460.384 2.239 30 10 JEEE CC(C)(C)OC(=O)Nc1cnn2c1N(C(=O)c1cc(B3OC(C)(C)C(C)(C)O3)n[nH]1)CCC2 2282564820 ZWCURERULXNQSE-UHFFFAOYSA-N 458.328 2.303 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@]12C[C@H]1CN(C(=O)OC(C)(C)C)C2 2282588731 IGJDNABRUQYNJF-NPMXOYFQSA-N 460.384 2.189 30 10 JEEE CC(C)(C)OC(=O)N1CCCC2(C1)CN(C(=O)c1ncc(B3OC(C)(C)C(C)(C)O3)cn1)C2 2282613349 KVBLGGTWVSTNJH-UHFFFAOYSA-N 458.368 2.249 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)[C@@]2(CCOC2)C1 2282622567 IFYOEKDGCXFDPX-WNSKOXEYSA-N 462.352 2.477 30 10 JEEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@@H]2CCOC[C@H]2OCc2ccccc2)OC1(C)C 2282836656 NDPSCWVNYSTJJM-IEBWSBKVSA-N 494.444 2.236 30 10 JEEE COC(=O)[C@@H](CC(=O)N(C)Cc1csc(B2OC(C)(C)C(C)(C)O2)c1)NC(=O)OC(C)(C)C 2283937445 VWWVLEAVFSCORE-OAHLLOKOSA-N 482.408 2.462 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CCc2ccc(B3OC(C)(C)C(C)(C)O3)cc21 2283944715 QRTZLGWHVIYZDW-MJGOQNOKSA-N 458.364 2.245 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCOC[C@@H]1CC(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2283975231 PXFLDQPZLZYNQT-GJZGRUSLSA-N 481.424 2.378 30 10 JEEE COC(=O)[C@@]1(Oc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)CCN(C(=O)OC(C)(C)C)C1 2284391122 GVVSHILICGAKPF-JOCHJYFZSA-N 466.315 2.451 30 10 JEEE COC(=O)c1[nH]c(C)c(C(O)=C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc([N+](=O)[O-])cc2)c1C 2297060057 ZMXGVFFHFBSXIM-LJQANCHMSA-N 470.482 2.310 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC(C)(C)N(C)C(=O)OC(C)(C)C)n1C 2337189686 DRNPKQZZNFYQCS-UHFFFAOYSA-N 450.389 2.403 30 10 JEEE CCCN(CCNC(=O)OC(C)(C)C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nc(C)n1C 2337320274 XCPMAELTKFZWNZ-UHFFFAOYSA-N 450.389 2.405 30 10 JEEE CC1(C)OB(c2sccc2CS(=O)(=O)N[C@@H](CCO)COCc2ccccc2)OC1(C)C 2343589355 VOCZLVMJPPVLEF-IBGZPJMESA-N 481.445 2.435 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1CCc2scc(B3OC(C)(C)C(C)(C)O3)c2C1 2361633245 SDDQZMHCIBOAKF-RHSMWYFYSA-N 478.420 2.302 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 2362338134 PEHRLLRELFMWII-PHZGNYQRSA-N 460.384 2.380 30 10 JEEE C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)CCN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2362353025 IGQCKZJTUCZRKM-JKSUJKDBSA-N 462.400 2.485 30 10 JEEE CC(C)(C)OC(=O)N1CC(N2CCC(C(=O)NCCC#CB3OC(C)(C)C(C)(C)O3)CC2)C1 2365078678 CJUPSKNLIVDEAN-UHFFFAOYSA-N 461.412 2.459 30 10 JEEE COC(=O)c1ccc(/C=N/Nc2nc(SCC(=O)NCc3ccc4c(c3)OCO4)n[nH]2)cc1 20905792 LPZNQUWIBRTUKO-AUEPDCJTSA-N 468.495 2.175 30 10 JEEE CO/N=[N+](\[O-])CC(=O)N1CCCN(S(=O)(=O)c2ccccc2)[C@@H]1c1cccc([N+](=O)[O-])c1 103937078 BFGHMYQEGSDJCH-IGTQYIEMSA-N 463.472 2.041 30 10 JEEE CCCN1C(=O)[C@@]2(/C(=C(/O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCOC)c2ccccc21 111897923 XRHJDDFKPVSQID-RFJJORBGSA-N 478.501 2.437 30 10 JEEE CC(C)n1cc(C=NNc2nnc(SCC(=O)NC3C4CC5CC(C4)CC3C5)n2N)cn1 1084594861 LBOLFHWTNBYGQL-UHFFFAOYSA-N 457.608 2.248 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1286300544 BBELLFWOEIPWRD-HZPDHXFCSA-N 496.431 2.359 30 10 JEEE C#CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1286317363 LIWXOSUVRQQBQB-FQEVSTJZSA-N 461.574 2.465 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1Cc1ccc(OC)nc1)[C@@H]1CCS(=O)(=O)C1 1286392178 GGQGAKIAWWHZDG-HXUWFJFHSA-N 469.542 2.087 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCCn1nc(C)cc1C)[C@H]1CCS(=O)(=O)C1 1286397390 ZBPFUBYMXZWXAR-PMACEKPBSA-N 460.604 2.050 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2C[C@](C)(O)c2ccco2)CC1 1286484231 KCUBWWDRGOWHRP-DEOSSOPVSA-N 451.527 2.122 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H](c2cccc(F)c2)N(C)C)CC1 1286485638 SCNOFXVGOLAWGH-WWNPGLIZSA-N 470.593 2.199 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCCCN2CCCC[C@H]2C)CC1 1286491952 BUQLTXRLSFSZHQ-IRLDBZIGSA-N 456.635 2.402 30 10 JEEE C=CCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1286707940 LFONPKZGUNHNJV-JPYJTQIMSA-N 476.599 2.326 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1)C(C)C 1286752453 ZRWYHMLAIRXGHD-LEWJYISDSA-N 487.649 2.490 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCS[C@@H](CC)C1 1286786520 FYMHHWRUFCOSDR-INIZCTEOSA-N 467.599 2.309 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1286798892 MXUAPFYTBCFCEA-PKOBYXMFSA-N 489.598 2.070 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2CC)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1286822946 JJERARFWOGRKIT-UXHICEINSA-N 487.626 2.268 30 10 JEEE C=CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C)C(=O)[C@H]1C 1286832759 YQONDGOBDMOECY-SJORKVTESA-N 480.635 2.173 30 10 JEEE CCO[C@@]1(c2nnc(N3CCO[C@@H](c4cccc(C#N)c4)C3)n2CCC(=O)NC(C)C)CCOC1 1296669127 GTFYVDSPVKFOOJ-BWKNWUBXSA-N 482.585 2.294 30 10 JEEE CNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1298926867 FFQJMOZKPDGMMP-UHFFFAOYSA-N 489.584 2.023 30 10 JEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2ccc(F)c(F)c2)C1 1300383785 HLQPHXNEOULAHW-KBXCAEBGSA-N 453.515 2.158 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccc(C)cc2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1300548941 UOLUTQXXMIWQRA-FYYLOGMGSA-N 481.622 2.443 30 10 JEEE C#CCN(CC#CC)c1nnc(COCC)n1C[C@@H]1C[C@@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1300595567 MZUAYOLVKQERSI-HSALFYBXSA-N 457.575 2.302 30 10 JEEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ncnn1C(C)(C)C 1300632010 ZPSZUNSHCMVIQL-QGZVFWFLSA-N 472.594 2.441 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2CCC(=O)N[C@@H](C)CC)CC1 1300686033 WEVKBLPCZKXAJO-INIZCTEOSA-N 476.423 2.106 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC(C)(C)c2ccccn2)CC1 1300732421 NCFQFOSKZPFVAZ-UNMCSNQZSA-N 480.613 2.341 30 10 JEEE C#CCSCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1300770120 NXEKYTDESUITLE-IBGZPJMESA-N 454.600 2.396 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(C(=O)N[C@H](C)CC)c1 1300780488 REBBHVQNFLXFIW-QZTZHPFYSA-N 486.642 2.457 30 10 JEEE C=C(C)COCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@H](C)O[C@H](COC)C1 1300991153 KQPHGNYSTHRYPV-ROUUACIJSA-N 468.558 2.025 30 10 JEEE C=C(Cl)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCCS(C)(=O)=O 1301043841 DYNZUKUSJKGGQO-OAHLLOKOSA-N 478.015 2.210 30 10 JEEE C=CCOc1ccc(Cn2c(N3CCN(C(=O)NC)CC3)nnc2[C@]2(OC(C)C)CCOC2)cc1 1301529130 HDTUCDIQKPYEBF-VWLOTQADSA-N 484.601 2.393 30 10 JEEE C=CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1301601882 JSYLKNOXBPSWEW-UHFFFAOYSA-N 483.598 2.468 30 10 JEEE C[C@H]1CN(CCN(C)c2nnc(-c3ccc(C#N)cc3)n2CCCC(=O)N(C)C)C[C@@H](C)O1 1302901012 BSVVFRWZGQBHNA-KDURUIRLSA-N 453.591 2.231 30 10 JEEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1358941375 HUYXBGCDXFPDFR-QZTJIDSGSA-N 459.616 2.306 30 10 JEEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCCNC(=O)OC(C)(C)C 1358943236 AUPLIBBTRGKMOA-UHFFFAOYSA-N 451.535 2.295 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(F)cc2Br)n1CCNC(=O)c1cc[nH]n1 1358973923 KMOYSEGYBSAEQW-UHFFFAOYSA-N 470.306 2.073 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2CCCn2ccnc2C)CC1 1359030718 CRRKKEGTRSMMOR-UHFFFAOYSA-N 471.407 2.397 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3CC)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1359038718 HOYULAJCAUNBIW-QFIPXVFZSA-N 464.614 2.433 30 10 JEEE C=C(Cl)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1359144295 DXKWLUOWNVSKAP-MRXNPFEDSA-N 459.894 2.372 30 10 JEEE C=CCCOCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1359224454 RRGLSPZUXZGHQD-IBGZPJMESA-N 474.009 2.329 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCS(=O)(=O)C1 1359254535 UYIZSCFIQMLGFI-LJQANCHMSA-N 473.599 2.150 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nccs1 1359261082 VXDWRIBXQKWSFT-GOSISDBHSA-N 492.602 2.448 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCCO[C@H](c2ccccc2)C1 1359327071 RGELLLINNFMMPM-FQEVSTJZSA-N 496.593 2.494 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1359331798 IJRVXLSERRUQDK-CQSZACIVSA-N 474.509 2.356 30 10 JEEE Cc1c(C#N)c(NC(=O)CN2CCC[C@H](n3cc(CO)nn3)C2)n(-c2cccc(F)c2)c1C 1473508539 HHNZPJIJAIPWBG-FQEVSTJZSA-N 451.506 2.464 30 10 JEEE CC[C@@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CC1CCN(C(C)=O)CC1 1495722102 GFLJTEAHRHTGBV-QGZVFWFLSA-N 467.622 2.290 30 10 JEEE CS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2CCCC[C@@H]2C1 1505152135 HEKCOBJEEVCEDE-RTBURBONSA-N 458.588 2.294 30 10 JEEE C#CCCCn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1507580302 ZPAYKEMVEFNTOE-UHFFFAOYSA-N 496.612 2.329 30 10 JEEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(CC(=O)N2CCN(CC)CC2)CC1 1507593938 WUBDZSZNCCMBGV-UHFFFAOYSA-N 480.661 2.324 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1cc(C(C)(C)C)no1)[C@@H]1CCS(=O)(=O)C1 1507633594 UDSLMZNCSZDEMS-AEFFLSMTSA-N 461.588 2.480 30 10 JEEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCO[C@@H]1c1ccccc1 1507641572 AYSCBIKXMQUNBU-SESVDKBCSA-N 455.584 2.129 30 10 JEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCCNC(=O)OC(C)(C)C)CC1 1507879960 GRZPXLIXBYKSAR-MRXNPFEDSA-N 456.613 2.350 30 10 JEEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(Cl)=C(Cl)C1 1507964971 NYULDVVLOBGLGH-MRXNPFEDSA-N 480.418 2.103 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cnn(C)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1507999605 NHFRRWTXKCTOGR-OAQYLSRUSA-N 480.598 2.167 30 10 JEEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1508084764 BPSULFFWGRLNOM-INIZCTEOSA-N 460.529 2.142 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CC(=O)NCC(F)(F)F)C1 1508120055 YFPWVTIUXLIXPO-ZDUSSCGKSA-N 477.447 2.054 30 10 JEEE CN(C)C(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(N2CCCNC2=O)CC1 1516952091 ANAXNCLYKVAMAM-UHFFFAOYSA-N 464.574 2.069 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCN(C)CC(F)(F)F 1538973181 LTDBJCUUEZOENF-AWEZNQCLSA-N 471.553 2.499 30 10 JEEE C#CCCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1539049811 UPZIOFXRRPRRFC-SFHVURJKSA-N 468.558 2.330 30 10 JEEE C#CCN(C)c1nnc(COc2ccccc2OC)n1C[C@@H](N1CCOCC1)C(F)(F)F 1539196543 QNBZTIRFIWJFMX-GOSISDBHSA-N 453.465 2.198 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H](c1cccc(F)c1)N(C)C)[C@H]1CCS(=O)(=O)C1 1539226508 ZLYQBHSXXSRJCE-GOTSBHOMSA-N 496.612 2.333 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1Cc1nccs1)[C@@H]1CCS(=O)(=O)C1 1539230370 MNIWSZZCDZEOGU-OAHLLOKOSA-N 461.544 2.128 30 10 JEEE C#CCN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1539345128 QBLAPDASCOXBEW-NBGIEHNGSA-N 468.602 2.447 30 10 JEEE C#CCN(CC)c1nnc(-c2ccc3ccccc3n2)n1CCS(=O)(=O)N1CCSCC1 1539359964 VTJWXWMWSVCPBN-UHFFFAOYSA-N 470.624 2.331 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1539434682 SMRNCTQZMMFBJS-SFHVURJKSA-N 458.513 2.216 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccc(Cl)nc2)CC1 1539467771 ZFBQRBBFBJXHDN-UHFFFAOYSA-N 471.993 2.259 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[C@@H](C)c2ccccc2)CC1 1539481222 ISCHVCXICQXMJH-DENIHFKCSA-N 483.638 2.340 30 10 JEEE C=C(Br)Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1539595805 GDSSYRCLQDXCHL-HZPDHXFCSA-N 474.425 2.433 30 10 JEEE C=C(Br)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@](C)(C(N)=O)C1 1539599270 CAZOKRDQGNLATQ-VLIAUNLRSA-N 499.410 2.197 30 10 JEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccc(OC)cc2C1 1540007142 YNXIDGGCDSGFOK-FQEVSTJZSA-N 461.588 2.149 30 10 JEEE C=CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1CCS(=O)(=O)CC1 1540092283 IFMZRKVNIKMCBZ-CALCHBBNSA-N 453.609 2.496 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCO[C@]2(CCOC2)C1 1540866333 KDACQINLJDNFBT-OAQYLSRUSA-N 492.374 2.014 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccn3C)n2CC[C@H](C(F)F)N2CCOCC2)C1 1540888755 XRVJCVMNGAPVQI-QZTJIDSGSA-N 450.534 2.421 30 10 JEEE C=CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CC(=O)N1CCOCC1 1540922667 VIBQIIOBKNVNCY-IEBWSBKVSA-N 451.637 2.411 30 10 JEEE C[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1)N(C)C 1541866059 BZMCELGDGWFWIS-MHECFPHRSA-N 464.574 2.164 30 10 JEEE CCC(O)(CC)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1546026172 GFMSFSNYFOIQBG-UHFFFAOYSA-N 474.569 2.188 30 10 JEEE C#CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CCO[C@@H](C)C1 1588581254 LXMGRHMSDGZLMK-PKOBYXMFSA-N 474.631 2.448 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H]2CC(F)(F)CO2)CC1 1588898973 JFPZILGDEPSFNT-FQEVSTJZSA-N 489.523 2.352 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1589484703 VUDJTCIVCWPZOL-ZJOUEHCJSA-N 460.623 2.482 30 10 JEEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1594626244 KSZFIOWWJGWTDT-WOJBJXKFSA-N 477.635 2.314 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCOc2ccccc21 1595218172 HSHPDZZXHSTBGB-GHTZIAJQSA-N 473.599 2.356 30 10 JEEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](Nc2cc(OC)cc(OC)c2)C1 1595405608 TZDIIHBCGLIWRX-SJORKVTESA-N 461.588 2.464 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2Cc2ncn(C)n2)C1 1595753360 HNQXYPPPXKORHG-IRXDYDNUSA-N 458.567 2.308 30 10 JEEE CNC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCOC[C@H]2C)C1 1618653228 DSKXJRDFANNLBU-MISYRCLQSA-N 452.559 2.364 30 10 JEEE COCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2nccnc2C)CC1 1619770244 CFVWXLNRWKDSSI-DEOSSOPVSA-N 462.558 2.029 30 10 JEEE C=C(C)Cn1c(SCC(=O)N2CCC[C@H]2C[C@@]2(C)NC(=O)NC2=O)nnc1-c1ccco1 1623848832 WIGVPFKUFVGGSW-LHSJRXKWSA-N 458.544 2.186 30 10 JEEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccc(NC(=O)CN3CCOCC3)cc2)c1 1629194568 BCZRQRBELYSCMG-UHFFFAOYSA-N 455.536 2.007 30 10 JEEE Cc1ccccc1CN1CCCN(C(=O)CN2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC1 1645569819 CTWFGMKZMUWJLH-QFIPXVFZSA-N 455.603 2.474 30 10 JEEE C#CCCCCn1c(-c2cc(Br)cn2C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1689878768 UOBOMDYQCPJHQT-KRWDZBQOSA-N 488.390 2.322 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@@H]1CCO[C@@H]1C(=C)C)[C@@H]1CCS(=O)(=O)C1 1689992067 GPXWSENRCXDUAR-YZUZCNPQSA-N 484.622 2.485 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@](C)(O)c1ccco1)[C@@H]1CCS(=O)(=O)C1 1689998091 BIEZBOSPGQBCEO-YLHGCELOSA-N 490.626 2.324 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc(Cl)cc3F)n2C[C@H]2CCC(=O)N2)n1 1690109565 WGOIUZSHPNTVQB-QGZVFWFLSA-N 485.951 2.499 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@@H]2CCCOC2)CC1 1690138186 UTIIGMYKHKJTET-SFHVURJKSA-N 497.596 2.363 30 10 JEEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1690183109 MFPZBKXFNPSHHT-IRXDYDNUSA-N 461.613 2.020 30 10 JEEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1690231387 AFDXCSVNECWKOA-CYBMUJFWSA-N 465.318 2.382 30 10 JEEE C=C(C)COCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1690319510 PNCIHMZUXBQMPF-OFNKIYASSA-N 466.586 2.478 30 10 JEEE C=CCCCCn1c(-c2cnn(C)c2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1690459191 OWJBHJBBERAUBX-KNQAVFIVSA-N 454.623 2.414 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCN1CC 1690565910 XJFGCZGYOZLXLH-FCHUYYIVSA-N 488.658 2.288 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cnn(C)c1 1690624185 IWDPIVJASVLRFA-SFHVURJKSA-N 461.567 2.007 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3OC)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1690694707 UGTKFAQBCYPMPH-MSOLQXFVSA-N 461.588 2.017 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCC(=O)NCCC)C1 1690696492 CTQYARFZLDZUNR-MRXNPFEDSA-N 451.531 2.292 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](c2ccc(Cl)s2)C1 1690714120 FOURJPKIPOYSLU-AWEZNQCLSA-N 488.035 2.310 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1C[C@H](c2ccccc2)O[C@H](C)C1 1690722721 SWZKOTMFDILZOV-YLJYHZDGSA-N 454.556 2.302 30 10 JEEE CCOC[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1696360987 AVPORGMQQGTEGH-PMACEKPBSA-N 472.615 2.351 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1CCCS(=O)(=O)C1 1705475782 VHNOMGBJVMALKI-NVXWUHKLSA-N 463.991 2.144 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](c2nc(C)c(C)s2)C1 1705535089 ZYVZCBKODAACKY-RBUKOAKNSA-N 492.671 2.482 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H]1CC(F)(F)CO1 1705581150 YAUPGBVPHZEILB-MRXNPFEDSA-N 452.465 2.172 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H](C)CN1CCN(CC)CC1 1705606929 KVOKVRKFSBRQNX-FQEVSTJZSA-N 472.659 2.082 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@](C)(O)c2ccsc2)CC1 1705648622 UYPBHMASYJCPGY-JPYJTQIMSA-N 457.600 2.107 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)c(Br)c2)n1Cc1nnn(C)n1 1705671289 DKDHVKCVAOLBFP-LJQANCHMSA-N 457.336 2.280 30 10 JEEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CN(CC(C)C)CCO1 1705837223 UYPVGPGWAOTJGX-HXUWFJFHSA-N 476.647 2.174 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@H](OCC)C1 1705895313 BKSGYIUEIVGYOU-HNNXBMFYSA-N 451.369 2.354 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCCN(c2nccc(OCC)n2)CC1 1705899106 IENIZQXWNWDWOL-UHFFFAOYSA-N 480.548 2.292 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1705901983 BJHGNPVAGIDOTJ-CQSZACIVSA-N 487.413 2.072 30 10 JEEE C=CCNC(=O)Cn1c(N(C)Cc2nc3ccccc3s2)nnc1[C@]1(OCC)CCOC1 1705908239 LQBSPZTVIWEKAU-QFIPXVFZSA-N 456.572 2.479 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 1705935166 IYFYRMRKTWKCTJ-INIZCTEOSA-N 452.581 2.162 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@H]2C[C@H]1CO2 1705936186 LHANDXCQSGNVQY-FHWLQOOXSA-N 495.646 2.361 30 10 JEEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1Cc1ccccc1CN1CCOCC1 1722386666 GQQZYWKPYNDUJW-UHFFFAOYSA-N 457.582 2.093 30 10 JEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](C(=O)N[C@H](C)CCC)C1 1722452455 GVUPLZWNDUFSIR-MOPGFXCFSA-N 460.648 2.402 30 10 JEEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2ccc(F)c(F)c2)C1 1722528896 LUPRYUQDQYQGQJ-DNVCBOLYSA-N 485.557 2.337 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1cc(Cl)ccc1OC 1722726241 ZSPKOBMMXDZTPG-UHFFFAOYSA-N 482.006 2.413 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1C[C@@H](C)O[C@H](C)C1 1722727643 NVQMBDIMTHMMMF-QZTJIDSGSA-N 456.572 2.345 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2CCCN2CCC(O)CC2)c1 1740564515 PILVTDWUHKBNIC-UHFFFAOYSA-N 487.608 2.167 30 10 JEEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H]1CN(CC(C)C)CCO1 1740610136 ZLZOSJNSXDBTBE-LJQANCHMSA-N 463.586 2.101 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Br)n1CCCCCO)[C@H]1CCS(=O)(=O)C1 1740621358 WADIRUBZWGDLRI-INIZCTEOSA-N 481.416 2.497 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCc1csc(C)n1)[C@@H]1CCS(=O)(=O)C1 1740625964 UMIYNZBNEQMXNM-GOSISDBHSA-N 476.653 2.268 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CCO[C@@H]1CCCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1740626494 VDSQDCCZPJMCKE-KSEOMHKRSA-N 471.627 2.486 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccc(CSC)cc1)[C@@H]1CCS(=O)(=O)C1 1740626580 LXDCEAAMXOFAPI-WOJBJXKFSA-N 460.625 2.320 30 10 JEEE C#CCN1CCN(c2nnc(-c3nn(C(C)C)c(=O)c4ccccc34)n2C[C@](C)(O)C(C)C)CC1 1740695449 RKXOAPJWCBDIAW-SANMLTNESA-N 477.613 2.398 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2Cc2cccc(C(=O)N[C@H](C)CC)c2)CC1 1740700461 AIOFSZINDZUQDU-DENIHFKCSA-N 450.587 2.461 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1CCC(OC)CC1 1740731028 NOVULDLMQRULCO-WZONZLPQSA-N 463.648 2.062 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCCN(c2nc(C)ns2)CC1 1740750061 LASZLXHHXAWINM-QZTJIDSGSA-N 474.635 2.274 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](CC(N)=O)C1 1740754091 PZZQEZSRSXNICY-KPLVRAHFSA-N 487.626 2.422 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1740848957 VPVIIBJXVMMXQA-LEWJYISDSA-N 473.666 2.063 30 10 JEEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2ccccc2)CC1 1740864287 LQYIWDUUSLXZFP-FQEVSTJZSA-N 457.600 2.499 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)cn1 1740937537 IRMCWTJKLVRDND-HXUWFJFHSA-N 490.561 2.022 30 10 JEEE C#CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(CC)[C@@H](C)C1 1749038923 MZBKJFPAZAHXKD-IBGZPJMESA-N 454.648 2.349 30 10 JEEE C#CCSCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCO[C@@H](C(=O)NC)C1 1749046902 JQONPIIWRJUWDM-QGZVFWFLSA-N 484.409 2.482 30 10 JEEE N#Cc1ccc(-c2nnc(N3CCS(=O)(=O)CC3)n2CCCn2cc(Br)cn2)cc1 1750382407 GGIOQZLFUBDLEG-UHFFFAOYSA-N 490.387 2.101 30 10 JEEE C#CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1760147085 GWTNDNZYFRETSK-UHFFFAOYSA-N 451.531 2.011 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCO[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1760191652 LFTFCLGXBILAQM-NRSPTQNISA-N 483.594 2.171 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccc(OC)c(OC(F)F)c1)[C@@H]1CCS(=O)(=O)C1 1760192613 KPKQLCZEIIYQSQ-SJLPKXTDSA-N 496.536 2.415 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1Cc1ccc(I)cc1 1760201024 FUGOIFQOFLLKEL-UHFFFAOYSA-N 456.291 2.404 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(Br)cc3)n2C[C@H](F)COC)CC1 1760260762 DHSLCOHDNWLILU-KRWDZBQOSA-N 466.355 2.359 30 10 JEEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1760433560 IIXQIUMVTULQFO-OAQYLSRUSA-N 485.614 2.473 30 10 JEEE C=CCCOCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1760446867 FZHXBJQMIAEQHQ-MRXNPFEDSA-N 492.378 2.101 30 10 JEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](OCCCc2ccccc2)C1 1760510362 VADHJSURWNSAHV-RTWAWAEBSA-N 475.615 2.025 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1760527031 XJLQQJMYUWKJQJ-QGZVFWFLSA-N 460.966 2.117 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(OC2CCC(C)CC2)CC1 1760553819 JAEVYJHLXYLGJT-AFMYVXGZSA-N 479.647 2.394 30 10 JEEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccc(F)cc2C1 1760566373 SDZMPSKVGLFTHV-IBGZPJMESA-N 481.619 2.232 30 10 JEEE CCS(=O)(=O)CCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)[C@H](C)CC#N 1766686407 BYWZFMLKPKSATF-MRXNPFEDSA-N 471.587 2.409 30 10 JEEE CN(C)CCOc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CC#N)CC1 1766931584 GUVMOXQNAUUPHX-FQEVSTJZSA-N 451.575 2.348 30 10 JEEE C#CCOC(=O)Nc1ncccc1OCC(=O)Nc1sc(C(=O)OC)c(C)c1C(=O)OC 1858698251 KYPOWHPCUYIAOH-UHFFFAOYSA-N 461.452 2.224 30 10 JEEE CSCC[C@@H](NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(=O)N1CCC(CO)CC1 1868784655 XVLUNEHEILGMOG-WOJBJXKFSA-N 478.684 2.494 30 10 JEEE C[C@H]1CN(C2COC2)C[C@H](C)N1c1ccc(Nc2cc(B3OC(C)(C)C(C)(C)O3)cn(C)c2=O)nc1 2069736670 LMUVXXINHPRGFQ-ROUUACIJSA-N 495.433 2.121 30 10 JEEE C=CCC1(NC(=O)C(F)(F)C2(O)CN(C(=O)OC(C)(C)C)C2)CN(C(=O)OC(C)(C)C)C1 2080658361 NTXOVFNWYSYEHU-UHFFFAOYSA-N 461.506 2.285 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCN(C(=O)OCc3ccccc3)CC2)n1 2255831002 OPJQJIRIWAIEEH-UHFFFAOYSA-N 468.363 2.297 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CNC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)CC(F)(F)F 2267092246 MYGORZNFJLEDLB-NSHDSACASA-N 462.278 2.284 30 10 JEEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CN(C(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)CCO1 2267174777 WOBKOPNNEGORLX-HIFRSBDPSA-N 467.397 2.197 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2267379414 YAPHWSLBVLFHBU-IVZQSRNASA-N 464.393 2.274 30 10 JEEE CC(C)(C)OC(=O)N[C@@](C)(CO)CNC(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1F 2267423973 SZGKCZWBIRYMJD-JOCHJYFZSA-N 452.332 2.130 30 10 JEEE CCc1nn(C)c(C(=O)N[C@H]2CCN(C(=O)OCc3ccccc3)C2)c1B1OC(C)(C)C(C)(C)O1 2267506553 ZLYXKUIYIBTMBC-SFHVURJKSA-N 482.390 2.423 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H](NC(=O)OC(C)(C)C)C(C)C 2267539534 RNNWPBVWWVNTPS-INIZCTEOSA-N 450.389 2.481 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](CO)[C@@H](NC(=O)c2csc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267562180 ZGAWEOAXAQXORQ-HOCLYGCPSA-N 466.409 2.395 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H]1CSCCN(C(=O)OC(C)(C)C)C1 2267599064 JNJWQWOBDLVSRB-MRXNPFEDSA-N 465.425 2.407 30 10 JEEE C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CN1S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2267704957 CNKUURUXGXDADY-KBPBESRZSA-N 487.453 2.260 30 10 JEEE CC(C)[C@@H](CNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2267706418 YHSABLHCAPZANR-CQSZACIVSA-N 489.469 2.411 30 10 JEEE CO[C@H]1C[C@H](C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)N(C(=O)OC(C)(C)C)C1 2268657492 ILJNLFQDJOGXNI-UONOGXRCSA-N 467.397 2.083 30 10 JEEE CC1(C)OB(c2cnc(NCCn3cc(I)cn3)c(F)c2)OC1(C)C 2269001444 VVRZBQMIAAPMNS-UHFFFAOYSA-N 458.084 2.433 30 10 JEEE Cc1nn(C)c(C(=O)N2CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2281981879 JRKPLWINBJIFLG-ZBFHGGJFSA-N 462.400 2.403 30 10 JEEE C[C@@H](NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Cl)C1(O)CN(C(=O)OC(C)(C)C)C1 2282004453 JPFVGRLUVIFSQC-CYBMUJFWSA-N 481.786 2.134 30 10 JEEE CCn1cc(C(=O)N[C@H]2C[C@H](F)CN(C(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2282033337 SDZVOBSIHSVYLL-GJZGRUSLSA-N 466.363 2.280 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2CCCCN2C(=O)C(F)(F)F)n1 2282039924 BQBJWPCQBJZUKI-CQSZACIVSA-N 455.286 2.362 30 10 JEEE CC(C)(C)OC(=O)N[C@@](C)(CO)CNC(=O)c1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1F 2282075175 ZKVLFQUGNNMSEF-JOCHJYFZSA-N 470.322 2.270 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@H](C1)N2C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2282181555 HRINXFWRXOEKOX-IYBDPMFKSA-N 458.368 2.390 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@]2(F)C[C@@H](NC(=O)OC(C)(C)C)C2)n1 2282581988 POGFVNCMXOPFJM-XLOAEROZSA-N 466.363 2.327 30 10 JEEE Cc1c(C(=O)N2C[C@@H]3CCN(C(=O)OC(C)(C)C)[C@H]3C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282582794 ZKDJIXJJTBXRAM-HOTGVXAUSA-N 460.384 2.109 30 10 JEEE Cn1nc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C3(CC3)C2)cc1B1OC(C)(C)C(C)(C)O1 2282616123 XFMBBLHGUMURIM-HNNXBMFYSA-N 460.384 2.381 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 2282692142 TXMRNLZXQKTWKD-QGZVFWFLSA-N 463.384 2.173 30 10 JEEE C[C@@H]1CC[C@H](NC(=O)C(F)(F)F)CN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1O 2282983675 RPWMMQNYPDKQHA-OCCSQVGLSA-N 456.270 2.363 30 10 JEEE COC[C@@]1(C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)CCCN1C(=O)OC(C)(C)C 2283950820 PHBCUFDOUIDCCH-JOCHJYFZSA-N 481.424 2.475 30 10 JEEE CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2sc(B3OC(C)(C)C(C)(C)O3)cc2C1 2283965275 ROLQZBMGRPPSRG-INIZCTEOSA-N 479.452 2.387 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H]1CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(O)cc1O 2287594004 JGEUSZZTZHWYCO-XJKSGUPXSA-N 462.352 2.430 30 10 JEEE C=CCOc1ccccc1C=Nn1c(SCC(N)=O)nnc1[C@H]1CC(=O)N(C(C)(C)C)C1 2327842613 QQUWPDCKJFUCIE-INIZCTEOSA-N 456.572 2.417 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H](NC(=O)OC(C)(C)C)C(C)(C)C 2336901166 BGEHNUAOSKDBKN-HNNXBMFYSA-N 450.389 2.389 30 10 JEEE CC(C)(C)OC(=O)N(CCO)CCC(=O)N=c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)[nH]1 2342640792 DZOICHSBOXCDJR-UHFFFAOYSA-N 469.775 2.014 30 10 JEEE CC(C)(C)OC(=O)N(CCO)CC(=O)Nc1cc(F)c(F)cc1B1OC(C)(C)C(C)(C)O1 2351770420 DZCHUJRUYXAEST-UHFFFAOYSA-N 456.295 2.432 30 10 JEEE COC[C@H]1C[C@H](CNC(=O)OC(C)(C)C)N(C(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C1 2362576556 KRTFSXXPNSHFQS-LSDHHAIUSA-N 481.424 2.444 30 10 JEEE CC(C)(C)OC(=O)N1CC(c2c[nH][nH]c2=NC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C1 2380505585 RMJRHLRRUTXFFF-UHFFFAOYSA-N 475.380 2.174 30 10 JEEE N#C[C@@H](c1ccccc1)N1CCN(C(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 16150211 LUFURVNHQDIAGW-QHCPKHFHSA-N 452.580 2.496 30 10 JEEE CCOC(=O)C1CCN(c2nc3c(c(=O)[nH]2)[C@H](c2ccccc2OCC)[C@H](C#N)C(=O)N3)CC1 72444579 CNLXTGIZKIVLTD-FUHWJXTLSA-N 465.510 2.172 30 10 JEEE C#CCn1c(=NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)sc2cc(OC)c(OC)cc21 254318886 KDPXFSWOYUBVOZ-UHFFFAOYSA-N 459.549 2.345 30 10 JEEE CCN(CC)c1ccc([C@@H]2N(C(=O)C[N+](=O)NOC)CCCN2S(=O)(=O)c2ccccc2)cc1 585088872 DOILZKSMUDHCSD-HSZRJFAPSA-N 490.606 2.300 30 10 JEEE C=CCN(CC(=O)N(CC(C)C)[C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc(Cl)c1 663215693 FTSOCORVIQYPBL-KRWDZBQOSA-N 463.021 2.188 30 10 JEEE COCCn1cc(C=NNc2nc(SCC(=O)Nc3ccc(OC)c(Cl)c3)n[nH]2)cn1 1084568219 NHTMAKPGIRAMEI-UHFFFAOYSA-N 464.939 2.486 30 10 JEEE N#Cc1sccc1N1CCN(S(=O)(=O)c2ccc(C(=O)NCC(F)(F)F)cc2)CC1 1192483582 BCZUFMNYBGUQOD-UHFFFAOYSA-N 458.487 2.423 30 10 JEEE C=CCOc1ccc(/C=C\C(=O)N2CCC(C(=O)OCC)(S(C)(=O)=O)CC2)cc1OC 1271886943 ZBNBHEAZBGJMOY-NTMALXAHSA-N 451.541 2.242 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)cc1O[C@@H]1CCOC1 1286297184 ATBRDEAUUOAJQE-DFQSSKMNSA-N 458.584 2.163 30 10 JEEE C#CCCCCn1c(N2CCN3CCOC[C@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1286334546 IRPKNMQKFQFYLR-HSALFYBXSA-N 458.607 2.373 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1ccc(F)c(C)c1)[C@H]1CCS(=O)(=O)C1 1286392436 MDCSZFGWSCGHHK-FQEVSTJZSA-N 453.543 2.386 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1286436655 QIYKWKHKUHKRTE-MRXNPFEDSA-N 453.515 2.430 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCc2ccc(Br)s2)CC1 1286470108 SVUQZVBPTRWFJM-UHFFFAOYSA-N 465.421 2.238 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CC2([S@@](C)=O)CC2)CC1 1286474290 GXPZNRNVUVDXCE-JGCGQSQUSA-N 457.600 2.019 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2nccn2C(F)F)CC1 1286487406 NZMXEYWSDBWKSJ-UHFFFAOYSA-N 484.467 2.459 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H](C)N2CCOCC2)CC1 1286491455 SHEFKLFFZOEZFB-IBGZPJMESA-N 485.032 2.209 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](C(C)C)N2CCCC2)CC1 1286495098 XKHYCVQUFFSRCV-YADHBBJMSA-N 456.635 2.258 30 10 JEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccccc2OC)CC1 1286507717 CUXVLIZYJLRMDI-UHFFFAOYSA-N 454.600 2.102 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CN2CCC(C)CC2)C1 1286509292 OMKVBIKJXUGXEY-NHCUHLMSSA-N 479.716 2.495 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2nc(C)cs2)CC1 1286548501 SUXGMWHLSXMQFV-ROUUACIJSA-N 459.620 2.489 30 10 JEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)c2ccccc2)CC1 1286606152 IBFNJQXCTGHJMW-HXUWFJFHSA-N 452.559 2.221 30 10 JEEE C=CCC(C)(C)Cn1c(N2CCC[C@@H](n3cnc(C(N)=O)n3)C2)nnc1[C@]1(OCC)CCOC1 1286675981 FNCJHCUVSWRAOD-HXOBKFHXSA-N 472.594 2.064 30 10 JEEE C=CCCCn1c(-c2cnccn2)nnc1N1CCC(CC(=O)N2CCN(CC)CC2)CC1 1286698086 LGHUMPXYEORJJM-UHFFFAOYSA-N 452.607 2.472 30 10 JEEE C=CCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1286771811 UXTZVVNXDSTNNM-UHFFFAOYSA-N 454.531 2.448 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCc2cc(OC)c(OC)cc2C1 1286821855 CDUOAWCQZBTUET-UHFFFAOYSA-N 483.594 2.445 30 10 JEEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1286835130 RAKWPJOQGTYIOK-NRFANRHFSA-N 458.680 2.275 30 10 JEEE CC(=O)N(C)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCc2ccco2)CC1 1286840036 BLJBECBPACQHGL-UHFFFAOYSA-N 461.526 2.173 30 10 JEEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCc1nccc(C(F)(F)F)n1 1300446661 OWFOZWMNXPNHKC-UHFFFAOYSA-N 454.420 2.042 30 10 JEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1Cc1cnn(CC)c1)[C@@H]1CCS(=O)(=O)C1 1300484435 RZAZDDHPEFJFIO-LJQANCHMSA-N 458.975 2.490 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1ccccc1CN1CCOCC1)[C@H]1CCS(=O)(=O)C1 1300495072 CKBNSPOBKKVAJM-QHCPKHFHSA-N 499.681 2.374 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC[S@](=O)CC)CC1 1300718251 HOUSMEYFUXHZDR-JGCGQSQUSA-N 478.018 2.342 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCOc2c(C)cccc2C)CC1 1300727480 YSVVICOBEBJTPP-NRFANRHFSA-N 451.571 2.444 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(c2nc(CC)ns2)CC1 1300843108 BHNUAUCRUAKDAG-ZDUSSCGKSA-N 481.424 2.268 30 10 JEEE C=C(C)Cn1c(N2CCN([C@H](C)C(=O)NC3CCCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1300970042 IUDTUBNABIBEKD-CJFMBICVSA-N 474.650 2.464 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@](C)(O)C2CCCCC2)CC1 1301085919 CIHUHWMHBBZRHS-DENIHFKCSA-N 467.636 2.099 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1nc(C)c(C)s1 1301403965 NSTYLQUEMYNBBM-KRWDZBQOSA-N 466.633 2.105 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN(CCN2[C@@H](C)CC[C@H]2C)CC1 1301508400 KANHKMJZGIKUMT-BGYRXZFFSA-N 471.675 2.227 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1301514931 OATXPKQWEIDMBT-QHCPKHFHSA-N 493.612 2.495 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Br)nnc1N1CCC(CC(N)=O)CC1 1301576743 AZRPDXDYFFCHBJ-UHFFFAOYSA-N 496.431 2.400 30 10 JEEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2csc(COC)n2)CC1 1316124880 BRQPLLUPCBEMPS-UHFFFAOYSA-N 453.572 2.236 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccc(OCCC)c1 1358890025 KEDVGKYTDRDGOX-NQIIRXRSSA-N 475.615 2.100 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2CC[C@H]2COCCO2)c1 1358901798 XEYSMAOICGJAIK-BKMJKUGQSA-N 497.596 2.180 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1CC1([S@](C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1358956560 HRWJWNUWBPRXRI-FROAJHJGSA-N 494.614 2.095 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@]1(O)CCSC1)[C@H]1CCS(=O)(=O)C1 1358958859 XIJJUJKSHXHIJD-KKSFZXQISA-N 497.042 2.102 30 10 JEEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C)[C@@H]1CCS(=O)(=O)C1 1358961716 DLGCSCKMWUBOKX-AKHDSKFASA-N 491.658 2.086 30 10 JEEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(N2CCOCC2)cc1 1358970558 RHYCSLITDVDQSC-AREMUKBSSA-N 463.582 2.276 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CCC2(O)CCOCC2)CC1 1359032807 DFOKYPSCHPFUJY-UHFFFAOYSA-N 483.613 2.428 30 10 JEEE C#CCN1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CCN(CC)C(C)C)CC1 1359034463 RNARLBGDYLREFS-UHFFFAOYSA-N 476.629 2.160 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3CC)n2CC2(C)COC2)CC1 1359047944 ZHTLVMROALIWDA-UHFFFAOYSA-N 451.571 2.422 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@](C)(c2ccccc2)C1 1359306255 ACWCUGDILTXXOE-XZOYJPPVSA-N 455.559 2.056 30 10 JEEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3F)C2=O)cc1 1471010603 BLMZLJGCBNNAFF-KRWDZBQOSA-N 451.907 2.479 30 10 JEEE CC[C@H](C)NC(=O)c1cccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)c1 1496202705 ABHQHUISYBYGBA-QUZZAMIASA-N 488.589 2.199 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccnc(OCC2CC2)c1 1497085079 DJKIFRVMGIAVGJ-IBGZPJMESA-N 453.547 2.157 30 10 JEEE CNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2N(C)CCCC2(C)C)CC1 1503822087 HJDQSEOPGSACGL-HXUWFJFHSA-N 450.591 2.399 30 10 JEEE C#CCCCn1c(-c2ccccc2F)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1507585824 NUACSQHJKHXSHB-UHFFFAOYSA-N 466.561 2.438 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H](C)N(C)C1CC1)[C@H]1CCS(=O)(=O)C1 1507624683 CUZJNJSQIGWVEO-PBHICJAKSA-N 495.447 2.145 30 10 JEEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1C[C@@]1(O)CCSC1)[C@@H]1CCS(=O)(=O)C1 1507639613 LHDUUHQUYWGSTQ-UTKZUKDTSA-N 497.042 2.005 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCO[C@@H]1c1ccccc1 1507688715 DBMXTXPPGRQSLO-FDFHNCONSA-N 487.626 2.238 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1Cc1cc(F)ccc1N1CCOCC1 1507710473 GZAGMVYJSLZXLF-LJQANCHMSA-N 457.550 2.282 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@H](C)N(C)C)CC1 1507733935 DIDBAVSWUXYZLE-MRXNPFEDSA-N 460.529 2.462 30 10 JEEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1507748879 VBRAZVSMRAQHMK-OAQYLSRUSA-N 498.653 2.072 30 10 JEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CCN2[C@@H](C)CC[C@H]2C)CC1 1507835954 RUTRQOJLJMNEIA-SZPZYZBQSA-N 473.666 2.102 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1507915808 FJWVWJXKBXZVGF-QYZOEREBSA-N 468.668 2.132 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cn(C)c3ccccc23)nnc1N1C[C@@H](COC)O[C@H](C)C1 1508137730 QOHYFNOBPCAZAE-MSOLQXFVSA-N 473.599 2.278 30 10 JEEE N#Cc1ccc(-n2nccc2NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)cc1 1521811450 BJSQAFNVGYOGIH-UHFFFAOYSA-N 455.471 2.156 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CCN2CCCCCC2)c1 1539038890 WCELUBOLSGXUSW-UHFFFAOYSA-N 465.602 2.349 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2CCNC(=O)C(C)C)c1 1539045208 ASSUKDXZECYKDB-UHFFFAOYSA-N 459.554 2.092 30 10 JEEE C#CCN(c1nnc(C2CC2)n1C[C@@H]1[C@H](C)CCN1C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1539215446 CFEBBLITFNJTPE-BHIYHBOVSA-N 477.631 2.428 30 10 JEEE C#CCN(c1nnc(C2CCC2)n1CCCS(=O)(=O)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1539220792 LSTHPQCCVXADOZ-OAQYLSRUSA-N 490.651 2.177 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc2[nH]c(C)c(C)c2c1 1539296661 SLOCGZWMDSKQIC-GOSISDBHSA-N 452.584 2.498 30 10 JEEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1ccc(C(N)=O)cc1 1539347365 QILGKZHMBKXGID-UHFFFAOYSA-N 465.583 2.153 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(Br)c3)n2CC2([S@@](C)=O)CC2)CC1 1539434345 INIQKEHCMWRAMB-MUUNZHRXSA-N 462.417 2.374 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2C[C@@]2(O)CCC[C@@H]2C)CC1 1539475444 GKSDYRIHSKCVJD-BVZFJXPGSA-N 451.571 2.471 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)OCCOC)n1CC(=O)N1CCN(c2ccccc2)CC1 1539538477 JGYDFIGGMVSWMP-QFQXNSOFSA-N 480.613 2.343 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 1539611952 FPYPEPDIKQVJGA-ZLNRFVROSA-N 482.629 2.253 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(F)cc2)CC1 1539751426 NAVACIPDCDEPOQ-SFHVURJKSA-N 463.579 2.239 30 10 JEEE C=C1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1539840462 UAMBRHYKAGJMQJ-QFIPXVFZSA-N 462.572 2.058 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)Oc2ccccc2)CC1 1539890762 SOTAVUDVCZJANF-NQIIRXRSSA-N 475.615 2.481 30 10 JEEE C=CCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1539980841 AEQQYJKHDMTYIQ-UHFFFAOYSA-N 490.555 2.494 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1540865699 PDDSKPTUTNURSC-SFHVURJKSA-N 486.374 2.321 30 10 JEEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 1540874194 XWSYWQMNYNQYOT-GOSISDBHSA-N 492.502 2.299 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2CCNC(=O)c2cccc(OC)c2)C1 1540890692 IOROFDJEKQXHDO-PZJWPPBQSA-N 455.559 2.392 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCS(C)(=O)=O)C1 1540896909 WRMPZZPMKRIKOX-SJORKVTESA-N 469.608 2.176 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(c2cccc(C)c2C)CC1 1540906007 YOOJVASYWPZOSO-FQEVSTJZSA-N 459.616 2.326 30 10 JEEE C=CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@]2(CCOC2)C1 1540911478 YNUUQBJKCMKCHO-NRFANRHFSA-N 464.613 2.264 30 10 JEEE C[C@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H](C)CN1CCCC1 1541874549 HYLMWQGPKNDDTI-MOPGFXCFSA-N 451.575 2.128 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1C[C@H]1CCCN1C1CCCCC1 1541920940 HSJOOECPVJPMDM-YLJYHZDGSA-N 463.652 2.425 30 10 JEEE CNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1554370066 DASILVHOVIWIBJ-HDICACEKSA-N 453.591 2.134 30 10 JEEE COc1ccc(-c2nnc(N(C)[C@@H](C)CC#N)n2C[C@@]2(O)CCS(=O)(=O)C2)cc1Br 1554819947 CJFBZQFKELQSAN-DJJJIMSYSA-N 498.403 2.004 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@]1(C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CCO1 1556399373 LGLSTNSJQBWDLB-QQMNAOGKSA-N 454.564 2.432 30 10 JEEE C#CCN(c1nnc(-c2cc3ccccc3o2)n1CCCNC(=O)C(C)C)[C@H]1CCS(=O)(=O)C1 1588041078 UPFFEKDRVKEGME-IBGZPJMESA-N 483.594 2.480 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CC1CCN(C(C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1588041748 ZQUVYJCXQOQTNC-HSZRJFAPSA-N 483.638 2.393 30 10 JEEE C#CCN(c1nnc(C2CC2)n1CCN(C(=O)OC(C)(C)C)C1CC1)[C@H]1CCS(=O)(=O)C1 1588050590 SVXAHPOMWOTLOJ-SFHVURJKSA-N 463.604 2.182 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1ccc(OC)cc1F)[C@@H]1CCS(=O)(=O)C1 1588050824 VQYJCPSXJBEBJI-GOSISDBHSA-N 455.515 2.163 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCc1nccc(C(F)(F)F)n1)[C@H]1CCS(=O)(=O)C1 1588054961 QQPNKOCLWZMOHB-HOTGVXAUSA-N 498.531 2.198 30 10 JEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1C[C@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1588060062 YSZHTKRTUDMWOJ-QFBILLFUSA-N 450.008 2.099 30 10 JEEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(-c3cccs3)nc3ccc(C)cc23)CC1 1588199597 VCKBUNWDRRMPKP-UHFFFAOYSA-N 454.577 2.497 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1Cc1cccc(NC(=O)[C@H]2CCCO2)c1 1588214634 XZLWUVDDIDLRBQ-JOCHJYFZSA-N 455.522 2.364 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(Cl)nc2)n1CCNS(C)(=O)=O 1588482899 XNAOYWPVGQLRRV-UHFFFAOYSA-N 462.938 2.322 30 10 JEEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1589053118 HQMAEPUCZWCEFL-UHFFFAOYSA-N 480.598 2.072 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1589503014 BGFFIOAAHYMOAP-GGAORHGYSA-N 463.586 2.008 30 10 JEEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 1593729009 GUTDYGZLOBYPPX-UHFFFAOYSA-N 482.564 2.171 30 10 JEEE C=C(Cl)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(C(=O)NC)CC1 1593806981 HDNZCQITPXMLCF-UHFFFAOYSA-N 452.346 2.075 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1CN1CCOCC1 1595218887 PQBRRYRQJMBTQW-QFIPXVFZSA-N 471.627 2.239 30 10 JEEE C=CCOc1ccc(Cn2c([C@H]3CCCO3)nnc2N2CCC(NC(=O)COC)CC2)cc1 1595639896 NTYXUXOPIWMPQS-OAQYLSRUSA-N 455.559 2.474 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H]2CC[C@@H]21 1595765514 BNMYIIASQCAEKL-APWZRJJASA-N 464.613 2.328 30 10 JEEE COC(=O)c1ccc(NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)c(OC(F)F)c1 1616337955 ADCYERFQGRGFLA-LLVKDONJSA-N 453.423 2.252 30 10 JEEE C=CCO[C@H]1CCN(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)c2ccc(C(C)(C)C)cc2)C1 1631483409 VVGLUSYLJKNOHR-PMACEKPBSA-N 450.601 2.321 30 10 JEEE C#C[C@@H](NC(=O)c1ccc(S(=O)(=O)NCCOC)cc1)c1ccc(Br)cc1 1637659252 UQVOJXGVWOYKPT-GOSISDBHSA-N 451.342 2.478 30 10 JEEE C#Cc1ccc(C(=O)N2CC[C@@H]3[C@@H](C2)NC(=O)N3C2CCN(C(=O)OC(C)(C)C)CC2)cn1 1642785699 UABAFAHUKBMYFY-WOJBJXKFSA-N 453.543 2.071 30 10 JEEE C=C[C@@H]1OCCC[C@H]1NCC(=O)NCCN1C(=O)S/C(=C\c2ccc(OC)c(OC)c2)C1=O 1654504107 UQCABZIZTOZSKT-IEGJVIMNSA-N 475.567 2.180 30 10 JEEE CC(=O)N1CCC(NC(=O)CN2C[C@@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)CC1 1660441948 ORDNOWCZUGPFBJ-TXEJJXNPSA-N 451.358 2.216 30 10 JEEE C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N(CC)CC 1666930967 ZFQOBLZEEUIZMG-NQIIRXRSSA-N 466.604 2.409 30 10 JEEE C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 1672902751 MNCGTVBTDDWWCE-SJORKVTESA-N 458.378 2.199 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CC=CCO2)c1 1689868851 SDICVSOUYMHWET-HXUWFJFHSA-N 471.521 2.327 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCCO3)n2C[C@@H](C)N2CCOCC2)c1 1689872178 QNWGTCHTRIQUCY-KNQAVFIVSA-N 466.586 2.297 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1CCCN(C)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1689986693 VHCKPVZDJWXJMM-SFHVURJKSA-N 488.614 2.224 30 10 JEEE C#CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCc1ccccn1 1690095373 OUGKNGJFSVPOQN-UHFFFAOYSA-N 467.599 2.270 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CC[C@H](C)C2)n1 1690109115 HGPXXWGWWTVUOF-XUVXKRRUSA-N 474.631 2.099 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 1690110530 PRVIDTNBJDZUKI-LJQANCHMSA-N 494.600 2.080 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc3c(c2)C(=O)NCC3)CC1 1690145902 APDMKUBMRKLWMH-UHFFFAOYSA-N 462.598 2.167 30 10 JEEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1690164012 YMTUHERPMORPSN-GOSISDBHSA-N 488.061 2.493 30 10 JEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](C(=O)N(C)c2ccccc2)C1 1690170513 LJUCDUIXLAYBOD-IEBWSBKVSA-N 452.584 2.085 30 10 JEEE C=C(Br)Cn1c(COc2ccc(OC)cc2)nnc1N1CC(=O)N(C)C[C@H]1C 1690233381 FJWMOAIWBGTASM-CQSZACIVSA-N 450.337 2.441 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCOCC2)cc1 1690265633 RJCDDNGDLLEARA-HXUWFJFHSA-N 459.616 2.468 30 10 JEEE C=CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1690480291 DZVXFDGXVVEHFQ-HOTGVXAUSA-N 458.588 2.416 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@H]1C1CCC1 1690662663 CDEFMJOQHZOPSY-HXUWFJFHSA-N 472.615 2.267 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1690663380 VANDIXNIKLFYSX-BLLLJJGKSA-N 493.793 2.378 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N(C)Cc1ncnn1CC(F)F 1690667079 PMTPRUGPNJFOBM-UHFFFAOYSA-N 450.881 2.394 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)O[C@H](c2ccccc2)C1 1690678416 VTZCKFWGIGYXIB-UTYWTXRGSA-N 455.559 2.271 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2cccc3[nH]ccc23)C1 1690687058 XYIUHKCIDVFDNF-WMZOPIPTSA-N 458.588 2.394 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1690715527 NPIOJAXHRPDPSB-YADARESESA-N 487.626 2.352 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)Cc1cnn(CC)c1 1690720588 NBWWUHNLABRHBB-UHFFFAOYSA-N 458.544 2.127 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1690725532 TUPHPXJHYHMMOD-YZZKKUAISA-N 478.590 2.382 30 10 JEEE Cc1ccccc1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(C#N)C1 1693266882 FHIMTRYUZOQAOF-NZQKXSOJSA-N 472.615 2.292 30 10 JEEE Cc1nc2ccccc2n1CCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@](F)(C#N)C1 1693369771 GBNHCWDQPUHVRF-VFNWGFHPSA-N 474.566 2.079 30 10 JEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(Oc2ncccc2F)CC1 1705509946 MBYBXXVQORGNNE-INIZCTEOSA-N 464.567 2.274 30 10 JEEE C#CCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC(CC(=O)NC)CC1 1705536584 JFPXSTBUPWJZRR-UHFFFAOYSA-N 477.657 2.409 30 10 JEEE C#CCSCCn1c(N2C[C@H](C)O[C@@]3(CCOC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1705664936 GDHSENHOODGLCW-YUXAGFNASA-N 450.605 2.069 30 10 JEEE C=C(C)Cn1c(COc2cccc(C)c2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1705727217 NRIVQPOQBPPZLI-UHFFFAOYSA-N 485.614 2.294 30 10 JEEE C=C(Cl)Cn1c(N2CCN(CC(=O)N3CCCC[C@H]3C)CC2)nnc1[C@]1(OCC)CCOC1 1705760216 CVTADNJJVSXCMX-XXBNENTESA-N 481.041 2.206 30 10 JEEE C=CC1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CCS(C)(=O)=O)CC1 1705778415 VXNFICQILHYETM-UHFFFAOYSA-N 450.561 2.418 30 10 JEEE C=CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H](C)N1CCN(CC)CC1 1705840904 HDZUYHDXUCGLIQ-LJQANCHMSA-N 464.618 2.323 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@@H]1COCCO1 1705865117 RBBFLPPEQPXVGU-RTBURBONSA-N 464.563 2.317 30 10 JEEE C=CCNC(=O)Cn1c(N(C)Cc2c(C)nn(C)c2C)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705908411 PATHAOFPSPKTNB-HDICACEKSA-N 486.621 2.338 30 10 JEEE Cc1cc(C)nc(N2CCN(c3nnc(COc4ccc(C#N)cc4)n3C[C@@H](C)N(C)C)CC2)n1 1707252349 BBRFOGRIAMQFRY-HXUWFJFHSA-N 475.601 2.412 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@](C)(O)c1cccc(Cl)c1 1708756595 FGJCRULPTMZNFI-GCJKJVERSA-N 460.966 2.486 30 10 JEEE CCN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CCCN1C[C@H](C)O[C@@H](C)C1 1710166260 FKWHSESIMADKQY-OALUTQOASA-N 474.631 2.187 30 10 JEEE COCCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1712454457 GXTDDMWTXXQZTG-MSOLQXFVSA-N 475.594 2.243 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(NC(=O)c2ccco2)cc1 1722275108 BXXMARVQWGLFTB-HOTGVXAUSA-N 470.555 2.240 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1CCCCS1(=O)=O 1722282790 DXVBIYMBPHMKEW-YJBOKZPZSA-N 463.991 2.287 30 10 JEEE C#CCN(c1nnc(C(C)C)n1Cc1ccc(C)cc1OCCOC)[C@@H]1CCS(=O)(=O)C1 1722358514 IYOVAXOTTSSKQQ-HXUWFJFHSA-N 460.600 2.410 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC1(C)CC1)[C@@H]1CCS(=O)(=O)C1 1722358536 CRLGUELRIXTHTG-QGZVFWFLSA-N 474.583 2.398 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCC=CO1)[C@@H]1CCS(=O)(=O)C1 1722360507 UUVHVPYIVFZJMU-MOPGFXCFSA-N 457.512 2.173 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1CCSCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1722361860 QODLQSQLBYQICI-OAHLLOKOSA-N 459.519 2.262 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Cl)n1C[C@H]1CCCCS1(=O)=O)[C@@H]1CCS(=O)(=O)C1 1722364105 XITJEDIOCHOHSE-IAGOWNOFSA-N 497.042 2.193 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[S@@](=O)C(C)(C)C)CC1 1722432588 BJGLDQFRJDUVAS-MUUNZHRXSA-N 467.437 2.338 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2CCCOC[C@H]2CCOC2)CC1 1722445449 QKKJSMLEUOGGKZ-HXUWFJFHSA-N 451.571 2.354 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](c2ccsc2)N(CC)CC)CC1 1722447890 OVYJESCSXXOSFC-RTWAWAEBSA-N 497.669 2.340 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2CCCNC(=O)C2CCC2)CC1 1722449372 INQLCRKLKOOKDP-UHFFFAOYSA-N 454.619 2.283 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCN1CCN(C(C)=O)CC1 1722465736 AYPKPTPZWSANRT-AREMUKBSSA-N 477.613 2.303 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(OC)cc1OC 1722475595 VVOHKGVQHFVFPG-WZONZLPQSA-N 458.584 2.432 30 10 JEEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1722476731 GZDSYQPDFIWLKG-UHFFFAOYSA-N 482.471 2.320 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Cl)cc2)n1CCCNS(C)(=O)=O 1722497897 HIUPMOZGDKSINY-HXUWFJFHSA-N 451.980 2.442 30 10 JEEE C=C(C)COCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCO[C@@H](C(=O)NC)C1 1722527798 ATDHSTDUOPTDOH-OAQYLSRUSA-N 450.543 2.346 30 10 JEEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1722534549 REDICPXWLVHUEB-UHFFFAOYSA-N 482.614 2.047 30 10 JEEE C=CCN(c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCCNS(C)(=O)=O)C1CC1 1722650798 LCPCDHJJDZPYNH-UHFFFAOYSA-N 482.651 2.487 30 10 JEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](c2nc(C)no2)C1 1722739867 YERVIOURAWXKGL-HOTGVXAUSA-N 452.606 2.175 30 10 JEEE CCN(CC)C(=O)CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(c2ccccc2C#N)CC1 1728351016 GBSXMSZFRTXVDO-NRFANRHFSA-N 492.628 2.466 30 10 JEEE N#Cc1ccc(OCc2nnc(N3CCC(F)(F)C3)n2CCS(=O)(=O)CC2CC2)cc1 1731181871 DNDYHJLSMXWMIY-UHFFFAOYSA-N 451.499 2.399 30 10 JEEE C#CCN(c1nnc(COc2ccccc2OC)n1C[C@@H]1CCSC1)[C@@H]1CCS(=O)(=O)C1 1740627755 KHGMKZLRMABHOQ-ZWKOTPCHSA-N 476.624 2.246 30 10 JEEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1CCCS(=O)(=O)c1ccccc1 1740660166 IPJOEYLGKNRWFS-UHFFFAOYSA-N 452.540 2.249 30 10 JEEE C#CCSCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(C)C(=O)[C@@H]1C 1740711945 UEZSCSJTZHOARM-HNNXBMFYSA-N 459.572 2.004 30 10 JEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)CC2CCCCC2)CC1 1740868168 FVYLASLAEGGTOX-SFHVURJKSA-N 466.652 2.474 30 10 JEEE C=CCCOCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@@H](COC)O[C@H](C)C1 1740884890 QCXNJHUKMFENQQ-MSOLQXFVSA-N 468.558 2.025 30 10 JEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)c2ccsc2)CC1 1740887064 AZKIZGVLZWMYAL-SFHVURJKSA-N 493.655 2.233 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1740974662 HFNQKDGNUANAEQ-BSBNDGSWSA-N 469.933 2.301 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC(N2CCc3ccccc32)CC1 1740985402 HCHXMXSTWITJKI-UHFFFAOYSA-N 486.642 2.049 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[C@@H](C(=O)OC)C1 1740989904 BKPHRGXNVDMWJH-GOSISDBHSA-N 484.582 2.121 30 10 JEEE CC(=O)N1CCN(CCn2c(-c3ccc(C#N)cc3)nnc2N(C)Cc2scnc2C)CC1 1741056175 AZQMXMNITGVPQJ-UHFFFAOYSA-N 464.599 2.382 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCC(F)(F)CC1 1741130865 CDVPSOUACCPLMH-HOCLYGCPSA-N 460.551 2.032 30 10 JEEE CC(C)(C)c1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1C[C@]1(O)CCS(=O)(=O)C1 1741159420 FETQOCBEVOMPBW-HSZRJFAPSA-N 455.584 2.291 30 10 JEEE CC[C@@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@@]1(N(C)C)CCSC1 1743743689 HQKUXYFHEXXCIX-HXOBKFHXSA-N 471.679 2.469 30 10 JEEE CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN([C@@H](C)c2nccs2)CC1 1748278210 HADHPORRZIFWGG-KRWDZBQOSA-N 480.598 2.205 30 10 JEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CCS(=O)(=O)CC1CC1)[C@H]1CCS(=O)(=O)C1 1748809637 VEGDAFWXFPXUJF-IBGZPJMESA-N 497.042 2.050 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCCCN1C[C@H](C)C[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1748811163 CNEQVRKWHHWMOY-KCZVDYSFSA-N 487.674 2.063 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](OC)c1ccc(Cl)cc1 1748864439 XBHUHZKFLBMPGC-QFBILLFUSA-N 463.991 2.392 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@]1(O)CCS(=O)(=O)C1 1748882024 JUTDMSQOHXKRRU-QHCPKHFHSA-N 472.636 2.288 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCCO1 1748966036 ZHBDCGYQVZETKM-RTBURBONSA-N 463.579 2.242 30 10 JEEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(C)cc2OCCOCC)CC1 1748986523 BGKXLLXDLLEGCS-UHFFFAOYSA-N 463.586 2.206 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCOc2ccc(Cl)cn2)CC1 1749016063 YIZYSSYZALEOEL-UHFFFAOYSA-N 497.003 2.233 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(C)o2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1749120890 IMBATRWRQBCSGT-UGKGYDQZSA-N 456.591 2.474 30 10 JEEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1749225650 IEUHPRAPMPXWSN-QGZVFWFLSA-N 458.563 2.341 30 10 JEEE C=CCCOCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1749445846 ZLOHQOMZXHBAET-HNNXBMFYSA-N 464.368 2.184 30 10 JEEE COCC[C@@](C)(O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1749612086 BPMNXEDAKIJWBK-RUZDIDTESA-N 496.591 2.265 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1749730455 FGFNTGQEMKYFQK-UHFFFAOYSA-N 472.615 2.231 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1CC(=O)N(CCOC)C1 1760113056 PJRDLCMEBOZCIR-ZCNNSNEGSA-N 488.633 2.345 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(Cc2ccc(Cl)cc2)n1CCS(=O)(=O)N1CCSCC1 1760116515 QNLCINYHDWQUOP-MRXNPFEDSA-N 468.048 2.359 30 10 JEEE C#CCCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1760141018 HFPUPEBRCIOWPH-XMMPIXPASA-N 498.697 2.460 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@H]1C[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1760181088 PIDQZQAEUVVQNP-BPQIPLTHSA-N 474.583 2.254 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@@](C)(O)C(C)C)[C@H]1CCS(=O)(=O)C1 1760191226 CZYOUSFHBURULJ-WMZHIEFXSA-N 460.600 2.199 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCC(C)C 1760321989 MOZBPUMFFXLCCF-QRVBRYPASA-N 455.625 2.075 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2C[C@H](OC)[C@H](OC)C2)nnc1[C@]1(OC(C)C)CCOC1 1760327889 NTSGRZDAZNOKLI-KLJBMEJHSA-N 450.580 2.150 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1CC(=O)NCc1ccco1 1760479672 WVOMZEPDTKXCTP-HXUWFJFHSA-N 459.510 2.203 30 10 JEEE C=CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CC1(C(N)=O)CCCC1 1760503950 SHKOYHAYUGNGRO-UHFFFAOYSA-N 451.531 2.278 30 10 JEEE CC[C@@H](C)NC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(N2CCNC2=O)CC1 1762050221 CKYADFAWRLNXHN-GOSISDBHSA-N 494.600 2.028 30 10 JEEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1Cc1cccc(NC(=O)OC)c1 1763095350 BDPQMLLFFFFJDP-UHFFFAOYSA-N 463.546 2.307 30 10 JEEE CCOC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(S(C)(=O)=O)CC2)CCCC1 1765943540 FYARJZIUGSWVCX-UHFFFAOYSA-N 488.614 2.160 30 10 JEEE COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC2(S(C)(=O)=O)CCCC2)cc1OC 1768530215 BQYDEHINHBQZFA-KRWDZBQOSA-N 475.571 2.048 30 10 JEEE CN(Cc1cccc(C#N)c1)c1nnc(-c2cnn(C)c2)n1C[C@H](N1CCOCC1)C(F)(F)F 1768659707 HOILERTZURYQPU-IBGZPJMESA-N 474.491 2.450 30 10 JEEE COc1ccc(NC(=O)[C@H](CO)NC(=O)C2CCN([C@@H](C#N)c3cccs3)CC2)c(OC)c1 1866869360 ZZWJFIQXYYYYBO-OALUTQOASA-N 472.567 2.158 30 10 JEEE N#Cc1cccc(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CC[C@H]2CCS(=O)(=O)C2)c1 1866924714 XDCILVNEPGNDBF-UWJYYQICSA-N 455.536 2.145 30 10 JEEE C=CCN(CC=C)C(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CCc1nn2c(C)nnc2s1 1868898128 LIXLZIKOOZRZHA-SFHVURJKSA-N 456.547 2.494 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)Nc2ccccc2OCC)cn1CCOCCO 1870336957 LIGZBOAZJCHSIL-UHFFFAOYSA-N 485.581 2.447 30 10 JEEE C=CCn1cc(OCC(=O)N=c2nc3nc(C)cc(C)n3[nH]2)c(=O)cc1CNc1ccccc1C 1870853044 PCMWYDSPMQPOOU-UHFFFAOYSA-N 473.537 2.449 30 10 JEEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)N3CCN(c4ccnc(N5CCOCC5)n4)CC3)n[nH]2)c1C 1890190282 YXNDJMBDRJDDOD-UHFFFAOYSA-N 491.600 2.055 30 10 JEEE CC(C)N1C(=O)CS[C@@H](C(=O)N(C)C2CN(c3cnccn3)C2)[C@H]1c1ccc(C#N)cc1 1890394648 IIWISOVESNESAZ-FGZHOGPDSA-N 450.568 2.089 30 10 JEEE Cc1csc([C@H](C#N)C(=O)COC(=O)C=Cc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2Cl)n1 2042447104 JDWHLWQEWGIRMS-DZGCQCFKSA-N 482.971 2.402 30 10 JEEE C#CCN(C(=O)[C@@]1(CO)CCN(C(=O)OC(C)(C)C)C1)C1CCN(C(=O)OC(C)(C)C)CC1 2136191244 AAPRSFQSINEPAM-DEOSSOPVSA-N 465.591 2.467 30 10 JEEE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@H](CNS(=O)(=O)N2CCC[C@H](C#N)C2)C1 2140608174 WUPOXDRRXHZRDG-NHCUHLMSSA-N 477.631 2.178 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)NCCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2180980987 ONTTUGYHKUVGFT-OALUTQOASA-N 460.380 2.015 30 10 JEEE C[C@H](C(=O)N1C[C@@H]2C(B3OC(C)(C)C(C)(C)O3)[C@H]2C1)N1CCN(C(=O)OC(C)(C)C)CC1=O 2180986936 IWDSHXYULHATFL-PMPSAXMXSA-N 463.384 2.005 30 10 JEEE CC1(C)OB(c2sccc2CS(=O)(=O)NC2CN(C(=O)OCc3ccccc3)C2)OC1(C)C 2247904485 OPZTXTPRYKBZBD-UHFFFAOYSA-N 492.428 2.488 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N[C@@H]2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)C1 2255188782 BVTJAOIATHTXGH-IHSWXRNOSA-N 451.564 2.482 30 10 JEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCCCONC(=O)OC(C)(C)C 2255931274 IPAWDOGHSXOARP-UHFFFAOYSA-N 476.426 2.480 30 10 JEEE Cc1nc(NC(=O)[C@@H]2CSCN2C(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2256595144 IAAMCEYFCVGPAA-AWEZNQCLSA-N 450.370 2.333 30 10 JEEE CO[C@H](C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1)C1CN(C(=O)OC(C)(C)C)C1 2256666720 VSBKKVHDRVEEQF-AWEZNQCLSA-N 453.370 2.263 30 10 JEEE Cc1cc(CNC(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)sc1B1OC(C)(C)C(C)(C)O1 2256670342 CEHQPGLDRXXRJJ-HNNXBMFYSA-N 454.398 2.248 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC[C@H](NC(=O)OCc2ccccc2)C1 2264008779 FOYAQJFXFDCVDB-SFHVURJKSA-N 468.363 2.250 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCO[C@H]2[C@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2267279130 HRMFVRAUCBFBIC-NKKGCODLSA-N 464.393 2.458 30 10 JEEE C=C(CS(=O)(=O)N1C[C@@H](NC(=O)OC(C)(C)C)C[C@@]12CCOC2)B1OC(C)(C)C(C)(C)O1 2267467968 HAXHYWGYMXIXEB-HRAATJIYSA-N 472.413 2.262 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@@H](CNC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C1 2267545364 IGUGFEYEUZNWPD-AWEZNQCLSA-N 467.397 2.056 30 10 JEEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)[C@@H]2C[C@H]21 2267713355 AOOWVGXECPYXOR-IAGOWNOFSA-N 464.393 2.368 30 10 JEEE CC1(C)OB(c2cscc2S(=O)(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)OC1(C)C 2267723391 SLSDFGBKBDQNKL-SFHVURJKSA-N 473.429 2.446 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C(=O)N=c3nc(B4OC(C)(C)C(C)(C)O4)[nH]s3)C[C@H]2C1 2268609258 YQSPVKGWDMDTMR-ZSOGYDGISA-N 464.397 2.091 30 10 JEEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1F 2268634849 KVXOHYQZQMDEQL-BDJLRTHQSA-N 456.295 2.477 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2COC[C@@]2(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C1 2268678862 ANWSUJJJAKRGPU-ASSNKEHSSA-N 465.381 2.264 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N1CCc2sc(B3OC(C)(C)C(C)(C)O3)cc2C1 2268719540 GJMGOAFESNLECE-HNNXBMFYSA-N 466.409 2.208 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CN(c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)CC[C@H]1CO 2268997592 KITCKOCHWKPQIF-WMLDXEAASA-N 451.348 2.232 30 10 JEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CCNC(=O)[C@H]2C[C@@H](B3OC(C)(C)C(C)(C)O3)C2)C1 2281954807 YYUYBQDLERGYNB-BBWFWOEESA-N 486.440 2.399 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCCC1CN(C(=O)OC(C)(C)C)C1 2282006756 YBIBJQCLHAIUFB-UHFFFAOYSA-N 462.400 2.405 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2282488603 ACCUWJWCMNKUBV-MRXNPFEDSA-N 482.408 2.282 30 10 JEEE Cc1c(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]3C[C@@H]32)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282599052 NLPSKZAQFZHMHA-OAGGEKHMSA-N 460.384 2.155 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC1=CCN(C(=O)OC(C)(C)C)CC1 2282604552 VNEMWBHPAMCUEG-UHFFFAOYSA-N 460.384 2.499 30 10 JEEE C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282683151 ZDEDORBEFBXGLX-IAGOWNOFSA-N 453.396 2.001 30 10 JEEE CN(C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2283060690 NHIKBNLGOFBCOU-MRXNPFEDSA-N 460.384 2.495 30 10 JEEE C[C@H](c1nscc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)[C@@H]1C[C@H](O)CN1C(=O)OC(C)(C)C 2283954158 BKMCPWRDYOFEIN-YCPHGPKFSA-N 481.424 2.332 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1COC[C@H]1C(=O)N1Cc2cccc(B3OC(C)(C)C(C)(C)O3)c2C1 2283969865 KFDJSGKUKCVYSK-MJGOQNOKSA-N 458.364 2.368 30 10 JEEE C[C@H](NC(=O)[C@@H]1C[C@@H](O)CCN1C(=O)OC(C)(C)C)c1nscc1B1OC(C)(C)C(C)(C)O1 2283974648 VQWUNYKKOJRICW-DZKIICNBSA-N 481.424 2.380 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)N1CCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C1 2283977711 SSHUKWNGVDHDDB-HNAYVOBHSA-N 460.380 2.145 30 10 JEEE COc1ccc(OC)c(C=Nn2c(SCC(N)=O)nnc2[C@H]2CC(=O)N(Cc3ccccc3)C2)c1 2325918153 JDNAPIQFLVRRLA-SFHVURJKSA-N 494.577 2.271 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]2CC[C@H]1N2C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2359279690 WGKUJDIRVDNPIV-BHYGNILZSA-N 458.368 2.294 30 10 JEEE 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)ncn1C 2362354213 QSBAFKRPRFNSQI-JKSUJKDBSA-N 462.400 2.437 30 10 JEEE CN(C[C@@]1(O)CCCN(C(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C1)C(=O)OC(C)(C)C 2362508619 NRULSMRTOGNKQK-QFIPXVFZSA-N 481.424 2.276 30 10 JEEE COc1ccc(CCNC(=O)CSc2n[nH]c(N/N=C/c3cccc(O)c3)n2)cc1OC 20906458 DWHADPSZAYULFR-FSJBWODESA-N 456.528 2.425 30 10 JEEE CC[C@@H](C)c1ccc(NC(=O)CSc2nnc(N/N=C/c3c(C)nn(CCO)c3C)n2N)cc1 59914524 RDWKAZCATCUAGB-REMUQMNCSA-N 485.618 2.488 30 10 JEEE N#Cc1ccccc1CO[C@@]1(C(=O)NC2CC2)C[C@@H](O)[C@@H](O)[C@H](OCc2ccc(F)cc2F)C1 85409974 AUTNLSAXLVQBMB-WBJOIXBTSA-N 472.488 2.471 30 10 JEEE C=CCNC(=O)CN1CCN(C(=O)c2cnn(-c3ccc(C(F)(F)F)cn3)c2C(C)C)CC1 512713784 HACBFRRJCQXPSE-UHFFFAOYSA-N 464.492 2.470 30 10 JEEE C=CCNC(=O)CN1CCN(C(=O)c2cc(OC)c(OC)cc2NC(=O)Cc2cccs2)CC1 518035765 QZXMQLFYGOBHCJ-UHFFFAOYSA-N 486.594 2.007 30 10 JEEE N#Cc1ccc(N2CCC(NC(=O)C3CCN(S(=O)(=O)c4ccccc4)CC3)CC2)nc1 608951373 IXSLFMNIWVABRW-UHFFFAOYSA-N 453.568 2.139 30 10 JEEE COc1cc([C@H](C#N)NC(=O)CN(C)S(=O)(=O)c2ccc(C)c(C)c2)cc(OC)c1OC 609008202 SWJNFJPPEWODRB-SFHVURJKSA-N 461.540 2.331 30 10 JEEE C=CCn1c(=C(C#N)C(=O)c2ccc(F)cc2)sc(=Cc2cc(OC)c3c(c2)OCCO3)c1=O 654765960 UZTACOZXCVNUIW-UHFFFAOYSA-N 478.501 2.401 30 10 JEEE C=CCN(Cc1ccccc1F)C(=O)NCCN=c1ncnc2n(C)[nH]c(Br)c1-2 729623856 MKAPIQWYYNHXDW-UHFFFAOYSA-N 462.327 2.448 30 10 JEEE COc1ccc(O)c(C=NNc2nc(SCC(=O)Nc3ccc4c(c3)OCCO4)n[nH]2)c1 1084491008 KZOBHOVMKMSSLR-UHFFFAOYSA-N 456.484 2.467 30 10 JEEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C(=O)OC)c2ccc(OC)c(Cl)c2)c1 1138314945 UWSVXSDFBXSCCJ-GOSISDBHSA-N 452.916 2.457 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cc2ccccc2o1 1286297886 YOWKOMBBCZILDG-JXFKEZNVSA-N 457.556 2.058 30 10 JEEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(CCOC)[C@@H](CC)C1 1286349527 JSAGKSDYEZMEHX-QFIPXVFZSA-N 466.634 2.413 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@](C)(OC)C1CC1 1286410670 VNIMLOPYVSUFKP-CYFREDJKSA-N 457.575 2.474 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCO2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1286460264 CLENAGIQTAOGBA-AZUAARDMSA-N 461.563 2.190 30 10 JEEE C#CCSCCn1c(COc2ccccc2F)nnc1N1CCN(c2cnccn2)CC1 1286509782 BPFYJFUBLSLHNX-UHFFFAOYSA-N 453.547 2.479 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1286545713 ALLXVKNVVPDMQN-ZCNNSNEGSA-N 458.607 2.238 30 10 JEEE C=C(Cl)Cn1c(Cc2cn3ccccc3n2)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1286631974 CCXXWAWDARYVKT-SFHVURJKSA-N 479.006 2.299 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1286791753 BOTSJJCCMUUJKB-UHFFFAOYSA-N 494.518 2.363 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(NC(C)C)CC1 1286817032 ONUGCHUIIHMLMW-UHFFFAOYSA-N 461.588 2.241 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCn2nc(C)nc2C1 1286821746 UCZFGGXRVDNZQL-UHFFFAOYSA-N 461.979 2.043 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1288513204 CMPCXXHZUATSKL-AZUAARDMSA-N 481.601 2.397 30 10 JEEE Cc1nc(N2CCN(c3nnc(-c4cccc(C#N)c4)n3CCS(C)(=O)=O)CC2)sc1C 1289153860 GAMLUDSKSHYWLK-UHFFFAOYSA-N 471.612 2.261 30 10 JEEE Cc1noc(C)c1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1290935591 ADLGHEQQDPHKIV-QGZVFWFLSA-N 456.528 2.005 30 10 JEEE CCc1nn(C)c(OC)c1Cn1c(CCc2ccc(OC)cc2)nnc1N1CCO[C@H](C#N)C1 1292780602 FQJHFCVQNGXXPW-LJQANCHMSA-N 465.558 2.153 30 10 JEEE CNC(=O)C(C)(C)Cn1c(Cc2ccccc2OC)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1298939464 DOJLSYABZMQHJI-UHFFFAOYSA-N 488.596 2.243 30 10 JEEE C#CCN(c1nnc([C@@H](C)OCCOC)n1Cc1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 1300484219 PDSFDCQYJNWZSQ-AEFFLSMTSA-N 466.991 2.331 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CC1(N(C)C)CCCCC1)[C@H]1CCS(=O)(=O)C1 1300498391 JWRBHLHFTOHMSR-NRFANRHFSA-N 470.643 2.155 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@@H]1COCCO1 1300654729 FJETZJOYKBDUGB-MRXNPFEDSA-N 465.348 2.218 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCc1cccc([N+](=O)[O-])c1 1300763076 MXWPCEQGTCUFOB-KRWDZBQOSA-N 463.585 2.134 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(OC)c(Cl)c2)CC1 1301086692 NEXLKWLDHUUFSY-LJQANCHMSA-N 482.006 2.478 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(CS(C)(=O)=O)CC1 1301362402 DLLJOCMANGZOQU-INIZCTEOSA-N 484.669 2.259 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@H]1COCCO1 1301402689 QAWKVFDGZLFGMI-RTWAWAEBSA-N 460.600 2.221 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(CC(F)F)CC1 1301500618 NXABLRAGMDKZAO-KRWDZBQOSA-N 497.591 2.082 30 10 JEEE C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)NC[C@H](O)[C@@H](C)O)ccc1Cl 1301669613 DWEAMRASAUBMII-ACJLOTCBSA-N 456.923 2.332 30 10 JEEE CC(=O)N1CCN([C@@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3C[C@](C)(O)C(C)C)C[C@H]2C)CC1 1301765293 MBGUNALELIHACY-RTGAMMJTSA-N 479.629 2.213 30 10 JEEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC(C(=O)NCC(=O)OCC)CC2)cc1 1310196103 KPOXHIWLDPNUBY-UHFFFAOYSA-N 456.543 2.424 30 10 JEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 1358913282 KBINHGYRWQCURT-FQEVSTJZSA-N 487.601 2.014 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H](C)Oc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1358965355 SURWKORHKVYBCH-TZIWHRDSSA-N 495.605 2.367 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@H]1CCOC[C@H]1OC 1358976535 HSVNPNPRHJSCKG-DENIHFKCSA-N 474.565 2.360 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)c1ccc(C)cc1 1358994852 XQSFMUQJMYZSRC-IFMALSPDSA-N 469.611 2.186 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2CCNC(=O)c2cccs2)CC1 1359032911 IHTNXUWTSOFVFC-UHFFFAOYSA-N 450.568 2.200 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1359106256 ZKFCDSWGXSNIRP-WTGUMLROSA-N 467.636 2.219 30 10 JEEE C=CCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1359223813 WQXIQLBCVSQOMC-XMMPIXPASA-N 489.642 2.242 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1359292254 LJZBQHNAHIQEOJ-ZCNNSNEGSA-N 466.586 2.300 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1359293899 CUZVSNPXAVPQTD-CXAGYDPISA-N 499.490 2.429 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CC[C@@](O)(Cc2cccc(Cl)c2)C1 1359302285 BICGOJLRLZJLBK-XMMPIXPASA-N 466.973 2.403 30 10 JEEE CC(F)(F)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2C#N)CC1 1360628767 GZTTXJSBBMTZHU-QGZVFWFLSA-N 464.542 2.424 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccccc1OCC(C)C)[C@H]1CCS(=O)(=O)C1 1507633706 UQZOVAZFBPZZLR-RTWAWAEBSA-N 472.611 2.492 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCc1ccccc1F)[C@H]1CCS(=O)(=O)C1 1507636854 FCRLDMBYOVSROP-ZJOUEHCJSA-N 476.574 2.011 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1C[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1507639177 JSGLFHXAFXPVRS-PMACEKPBSA-N 458.584 2.137 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCN1CCCCC1 1507644773 NOWODIVFEYHEER-UHFFFAOYSA-N 468.627 2.144 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1CCNC(=O)c1ccco1 1507701207 ZPSUVIJXGFADNQ-GOSISDBHSA-N 450.474 2.031 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCCO2)n1C[C@@H]1C[C@@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1507714336 NBYZKXBARXJFOD-IYWMVGAKSA-N 475.590 2.240 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cnccc2OC)CC1 1507740590 NXKZCTUORXTXTO-UHFFFAOYSA-N 485.548 2.146 30 10 JEEE C#CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCCN(C(C)=O)CC1 1507744166 OQECCPJOTMIGGB-UHFFFAOYSA-N 475.018 2.287 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](COCC)C1 1507808082 SVSHXOUDCJQCAE-HCXYKTFWSA-N 455.625 2.122 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CC[C@H](CO)O1 1508008071 KCIOWRVVKJXORS-GBESFXJTSA-N 464.563 2.052 30 10 JEEE CC(=O)c1cc(Br)ccc1OCC(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 1519177438 CZYYLTOIRGHQDC-ZDUSSCGKSA-N 458.316 2.429 30 10 JEEE C=C(C)C[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c1)C(=O)OC 1535347385 RBLDFHGJVQWTOW-VBQJREDUSA-N 458.964 2.376 30 10 JEEE C#CCCCn1c(Cc2ccccn2)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1539127805 QCBKPXRTLPMUOW-FGZHOGPDSA-N 463.630 2.304 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCNC(=O)C(C)(C)C)CC1 1539474009 GTTAWYINNWYRPZ-UHFFFAOYSA-N 471.993 2.122 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2Cc2c(CC)nn(C)c2CC)CC1 1539484313 KQCJQQYSDZSWKF-UHFFFAOYSA-N 474.613 2.136 30 10 JEEE C=C(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1539707912 QVPIDTNMJZAZQR-HXUWFJFHSA-N 463.579 2.215 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(COC)CC1 1539916494 LFLKVTOVPSXLMF-GOSISDBHSA-N 469.652 2.466 30 10 JEEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1540873722 HMBGSLYWSXZXGL-QFIPXVFZSA-N 463.586 2.084 30 10 JEEE N#Cc1cn(CC(=O)N2CCCC[C@H]2C(=O)Nc2cc(Cl)ccc2Cl)c(=O)nc1O 1542725690 AJFOMSYBGJWSQE-HNNXBMFYSA-N 450.282 2.147 30 10 JEEE CCOc1ccc(CCn2c(C(=O)N3CCCC3)nnc2N2CCO[C@@H](C#N)C2)cc1OCC 1547959877 GGYJDSXXSYFNIQ-IBGZPJMESA-N 468.558 2.283 30 10 JEEE CCn1ccc(C(=O)N2CCN(c3ccc(C#N)c(C(F)(F)F)c3)C[C@@H]2C(=O)NC2CC2)n1 1548369405 AJQAPUDACWWQEG-LJQANCHMSA-N 460.460 2.403 30 10 JEEE CN(C)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1)c1ccco1 1552748884 FBGYRWAMKRSHDS-OALUTQOASA-N 454.556 2.336 30 10 JEEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCSC1 1554165022 GAXWMZIAMJCALV-PMACEKPBSA-N 490.655 2.262 30 10 JEEE COC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](N2CCCC2)C1)OC 1555260070 GMJZZHQRUXAGEB-UNMCSNQZSA-N 454.575 2.455 30 10 JEEE C#CCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1587904787 OHKKONSVOQUAQR-OAQYLSRUSA-N 465.602 2.159 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1CC1CCN(CCN(C)C)CC1 1588218820 DIEKFPCXJFEXCO-UHFFFAOYSA-N 486.624 2.330 30 10 JEEE C#CCN1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CCCCOCC)CC1 1588752963 XTUSEKZLXDPGLH-UHFFFAOYSA-N 473.647 2.119 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCc2cccc(C)n2)CC1 1588961926 QCHNDOPMWZZMJD-UHFFFAOYSA-N 460.586 2.052 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ccc(N(C)C)cc2)CC1 1594096721 GFVGWNZACSFGJQ-NRFANRHFSA-N 474.631 2.076 30 10 JEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCN2CCc3ccccc3C2)CC1 1594193083 NYMLZIQPBZOQLT-SFHVURJKSA-N 458.632 2.349 30 10 JEEE C=CCCOCCn1c(-c2ccc[nH]2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1594802670 FISOHPSNMMICBY-HXUWFJFHSA-N 455.607 2.389 30 10 JEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCN1C1CCCCC1 1594963117 QKNGWKOEDMICBV-WOJBJXKFSA-N 466.652 2.030 30 10 JEEE C=CCNC(=O)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCC(OCC(N)=O)CC1 1595489329 FPSJJPJVQJXXOZ-UHFFFAOYSA-N 495.609 2.150 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N(C)Cc1cnn(C)c1C 1595805941 YOBDEBPOKFPWIM-HXUWFJFHSA-N 472.571 2.070 30 10 JEEE CC(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCC[C@H](O)C2)CC1 1596513773 DGBBTHNZJYKESJ-CTNGQTDRSA-N 452.559 2.385 30 10 JEEE CCCO[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1615028497 DSUUVOORTZOPJW-REWPJTCUSA-N 473.599 2.152 30 10 JEEE C#CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(CCOCC)CC1 1689914979 MBIKFYDSAQKDJG-UHFFFAOYSA-N 473.647 2.119 30 10 JEEE C#CCCCn1c(-c2ccc(F)cc2Br)nnc1N(C)CCNS(C)(=O)=O 1689921105 UKXLVSCLOFQOFX-UHFFFAOYSA-N 458.357 2.246 30 10 JEEE C#CCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1689938203 DQXPKPUGXLTRJO-UHFFFAOYSA-N 466.586 2.462 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1ccc(OC(C)C)nc1)[C@@H]1CCS(=O)(=O)C1 1689989334 DHMLXLIBWMSIQG-WOJBJXKFSA-N 473.599 2.377 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@H](CC)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1689992718 OGAPSHCZLNWBAA-VXKWHMMOSA-N 485.654 2.379 30 10 JEEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCc1ccn(C)n1 1690017389 CIJPBSZPJSWRAF-UHFFFAOYSA-N 451.575 2.442 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@](C)(O)c2cccc(Cl)c2)CC1 1690111870 LGQQOFJHAORYEI-JPYJTQIMSA-N 461.994 2.318 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2Cc2cccc(C(=O)NCC)c2)CC1 1690137287 SNVKHFLNKCDMTK-UHFFFAOYSA-N 450.587 2.339 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1690250232 FBWNMBWTLVHPLW-WIOPSUGQSA-N 498.676 2.111 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C[C@H](O)COc2ccccc2)CC1 1690343878 GNPFNZLOWFCCJS-UXHICEINSA-N 461.994 2.487 30 10 JEEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1690464524 DKVPPBNVWPZQGX-LJQANCHMSA-N 462.620 2.464 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCN(c2cnn(C)c2)CC1 1690660277 CYFNYMLNJZXBAR-HXUWFJFHSA-N 478.601 2.397 30 10 JEEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 1690732101 WCBXDRKPVVXSIV-MRXNPFEDSA-N 478.644 2.278 30 10 JEEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccccc2Cl)C1 1692851426 FIEGRLSNSFUHJF-GHTZIAJQSA-N 479.006 2.443 30 10 JEEE CC[C@H](C)NC(=O)c1cccc(Cn2c(CN3CCCC3=O)nnc2N2CC[C@](F)(C#N)C2)c1 1694263122 CPLMSFKWOSOHDL-XDHUDOTRSA-N 467.549 2.419 30 10 JEEE COCCC1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C#N)CC2)CCCCC1 1697944342 BQQLCYXBNGYHNY-FQEVSTJZSA-N 494.662 2.338 30 10 JEEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccccc2OCC)CC1 1705533452 MWSZPFSCSVXUNP-LJQANCHMSA-N 450.543 2.004 30 10 JEEE C#CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H](C)N1CCN(CC)CC1 1705551705 CRRVBFVTCMCMSR-RTWAWAEBSA-N 473.666 2.488 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1CCCc1ccc(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1705567155 VDKIHBMTVPHYDJ-IBGZPJMESA-N 496.593 2.012 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)(C)C)n2C[C@@H]2CCCCS2(=O)=O)n1 1705631076 RHNTWBMINSDXLV-IBGZPJMESA-N 462.620 2.026 30 10 JEEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1705656860 LLTXVFNLYAYZOO-WIYYLYMNSA-N 471.627 2.486 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(Cc2ccccc2)CC1 1705661731 IIIRYCMTHXITLE-NRFANRHFSA-N 473.668 2.259 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1ncnn1CC(F)F 1705693024 ANLZSVLGQKUNBT-KXBFYZLASA-N 487.515 2.400 30 10 JEEE C=CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1705812987 RHBQJNCWWHCQIO-UHFFFAOYSA-N 478.395 2.175 30 10 JEEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 1705818296 FTQSNAMZVZPPFQ-MSOLQXFVSA-N 450.609 2.026 30 10 JEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@H](C)c2nccs2)CC1 1705830984 ZNHLHSBMTQZIQT-QZTJIDSGSA-N 480.660 2.113 30 10 JEEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1 1705890990 UBYVBXWJGHUJSE-ULQDDVLXSA-N 451.593 2.202 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H]1[C@H]1CCCO1 1705931681 XOZQXMDAIWIABF-VQTJNVASSA-N 494.639 2.097 30 10 JEEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](CC)C1 1705938255 SLCLSBOLRVGOTO-INIZCTEOSA-N 451.618 2.497 30 10 JEEE COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cccnc2OC)C[C@H](C)O1 1712303013 CSRBQJGQSHKJFZ-LAUBAEHRSA-N 464.526 2.421 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2CCCNC(=O)C(C)C)c1 1722310433 VWKFLQOQHJCYSL-HXUWFJFHSA-N 466.586 2.391 30 10 JEEE C#CCN(C)c1nnc(COc2ccc(OC)cc2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1722361016 BVRWDPJIQSGUJJ-GOSISDBHSA-N 453.465 2.198 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1ccc(C)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1722366615 JEXMMIAEKOMKFW-VQTJNVASSA-N 458.584 2.164 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2C[C@H]2CCCN2CC)CC1 1722445075 KYTQHMLFXZXTMG-HXUWFJFHSA-N 450.587 2.404 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2Cc2cc(OC)c(OC)c(OC)c2)CC1 1722446068 LSLWTZJHYQDKJU-UHFFFAOYSA-N 453.543 2.195 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2Cc2cccc(C(=O)NC)c2)CC1 1722448782 HTAKXILNKJZMIB-UHFFFAOYSA-N 491.621 2.008 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCC(C)(C)O)CC1 1722450942 UEFXQNKFGWFOCU-IBGZPJMESA-N 488.633 2.477 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1CCN1CCN(Cc2ccccc2)CC1 1722465964 HGTWQUUZQUGZAS-AREMUKBSSA-N 463.630 2.226 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1722509359 MUBPVZCVMATCQH-XLIONFOSSA-N 465.645 2.430 30 10 JEEE C=CC[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](C(=O)NC)C1)c1ccccc1 1722596367 HTDBBPXSRRELQL-FGZHOGPDSA-N 463.586 2.451 30 10 JEEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCS(=O)(=O)C(C)(C)C 1722637769 KEVVHTAUVAWVIS-UHFFFAOYSA-N 454.622 2.074 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1)C(C)C 1722664652 DVGHMABSFQBXLP-HSALFYBXSA-N 455.563 2.491 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N(C)Cc1ccc(Br)s1 1722725505 PJXPQVHIVLHSPO-UHFFFAOYSA-N 490.449 2.478 30 10 JEEE C[C@]1(C#N)CCCN(c2nnc(COc3ccc(F)cc3)n2CCN2CCCS2(=O)=O)C1 1724014344 ATVZEYADRLJEPA-OAQYLSRUSA-N 462.551 2.162 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCCS2)c1 1740561578 GTWOVYZFMCBFFI-LPHOPBHVSA-N 490.655 2.230 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H](C)N(CC)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1740627638 RPSVFTRGRARYHN-GUDVDZBRSA-N 495.646 2.054 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1740643800 OMQDFPWYCBIHHF-NRFANRHFSA-N 486.498 2.455 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1740682344 RSGJPNFZCIRCCG-ZWKOTPCHSA-N 491.683 2.499 30 10 JEEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(CN(CC)CC)cc2)CC1 1740699259 ZTJAMHSPFQYDCU-UHFFFAOYSA-N 463.630 2.046 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@H]2CC[C@H](CO)O2)CC1 1740701437 HIZZYXASBLGINX-ZWKOTPCHSA-N 475.952 2.243 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H](C)N(C)C2CC2)CC1 1740703072 FLBUHPRCGLEAPO-QGZVFWFLSA-N 465.558 2.302 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(CC)CCCC2)CC1 1740705050 AFGMTYFBUNPSQJ-IBGZPJMESA-N 461.632 2.116 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccccc2F)nnc1N1CCN(CC(=O)NCC)CC1 1740768855 YKJWOGIDPGQTLL-CYFREDJKSA-N 486.592 2.236 30 10 JEEE C=CCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1740884194 SOFLFQQZRDTWHC-LEWJYISDSA-N 476.599 2.326 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCC(=O)N2)n1CC1(CS(C)(=O)=O)CC1 1740921412 SYNHALPKNCAUHI-GOSISDBHSA-N 461.563 2.386 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCc2nc(O)c(C#N)cc2C1 1740989400 LYVNOPJEDQLIQU-UHFFFAOYSA-N 480.550 2.089 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 1740989536 PXYUFAOUJGRHLY-LJQANCHMSA-N 495.609 2.499 30 10 JEEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1740997278 WVAMVJHWSBJIPU-HOTGVXAUSA-N 488.680 2.253 30 10 JEEE CC(C)NC(=O)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)[C@H](C)CC#N 1741700038 FRHWDAFLNBLXDI-MRXNPFEDSA-N 450.547 2.499 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)c1cccs1 1748672390 TXMPMCLHGCQIRM-JKSUJKDBSA-N 451.618 2.108 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1CCN1CCc2ccccc2C1)[C@@H]1CCS(=O)(=O)C1 1748817698 OQGPMBURMSOKAC-JOCHJYFZSA-N 455.628 2.162 30 10 JEEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1748907490 VZDTVURPBHRMJS-SFHVURJKSA-N 460.542 2.053 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(F)cc2Br)n1CC1(O)CCOCC1 1748957198 YBAZIOZAOVBIEN-UHFFFAOYSA-N 467.339 2.474 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCc1nccnc1C 1748960218 DSEMYCSGBNINHT-UHFFFAOYSA-N 472.553 2.102 30 10 JEEE C#CCSCCn1c(Cc2ccsc2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1749045230 YFSSMSBCJJGUST-QGZVFWFLSA-N 458.657 2.086 30 10 JEEE C=C(Br)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1749089869 HGUUBGMNPPSGSC-UHFFFAOYSA-N 496.797 2.075 30 10 JEEE C=C(Br)Cn1c(-c2ccccc2OC)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1749098500 BSJUHUANNSAWKA-AWEZNQCLSA-N 487.362 2.394 30 10 JEEE C=C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCNS(=O)(=O)Cc2ccon2)CC1 1749288278 PNVVEGHEEOBMMK-UHFFFAOYSA-N 488.570 2.226 30 10 JEEE C=CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1749412051 JHOZIBPEKBWXMH-UHFFFAOYSA-N 482.976 2.414 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@@H](C(F)(F)F)C1 1749652770 SBOMOUHVCWPEKX-CYBMUJFWSA-N 477.285 2.116 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Br)c2)nnc1N1CC[C@](C)(C(=O)NC)C1 1749724623 KRRAXPWBEWRRSD-FQEVSTJZSA-N 496.431 2.271 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCN(CC(F)F)CC1 1749737009 WCSQOEPUDKDHMC-UHFFFAOYSA-N 453.559 2.165 30 10 JEEE C=CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@H](C(=O)NC)C1 1749745763 GZTFUUCDBHJODV-GOSISDBHSA-N 492.671 2.077 30 10 JEEE CC(C)NC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(Cn2ccnn2)CC1 1750983134 BYSDQOQYOUNTST-UHFFFAOYSA-N 477.573 2.152 30 10 JEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2C#N)CC1 1760138249 UWNGWYRNBYAVKM-HXUWFJFHSA-N 452.584 2.182 30 10 JEEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1760161928 RXTSJBPAXMFJQM-IRXDYDNUSA-N 451.593 2.387 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccc(OCC2CC2)nc1)[C@H]1CCS(=O)(=O)C1 1760181842 CEVFOFAQMKYPNB-IBGZPJMESA-N 457.600 2.434 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@@H](OC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1760189387 IINPAHQTFCLSFB-TZIWHRDSSA-N 460.600 2.175 30 10 JEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1C[C@H](C)SC)[C@@H]1CCS(=O)(=O)C1 1760191886 OKOXBZIKZAPDRN-PKOBYXMFSA-N 462.641 2.450 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCOc2cccc(F)c2)CC1 1760266046 OSWBMQWEKLWPKY-RUZDIDTESA-N 485.560 2.114 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2(CCOC)CCCCC2)CC1 1760268956 SLZYYEUAUMCJQU-HXUWFJFHSA-N 470.618 2.182 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CSc3ccccc3OC)n2C[C@]2(C)COCCO2)CC1 1760273058 HFOZGIGJBCRPPC-RUZDIDTESA-N 499.637 2.350 30 10 JEEE C=CCn1c(C(=O)NC(CC)CC)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1760506121 JCGSQUQTXSDGPP-UHFFFAOYSA-N 460.604 2.202 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H]3CCCCO3)nnc2N2CCN(C(=O)C(=O)NC(C)C)CC2)cc1 1760529341 CYBHSDACNBOXGI-QFIPXVFZSA-N 496.612 2.306 30 10 JEEE CC(=O)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2nccn2C(F)F)CC1 1760600721 BDLBKDSVDCXUJT-UHFFFAOYSA-N 470.484 2.427 30 10 JEEE CC(=O)N[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@](C)(O)c2ccco2)C1 1760643674 BMWDOYCVNIOPPW-NTKDMRAZSA-N 464.526 2.334 30 10 JEEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1766245619 CUNYLESGFFPTJY-UHFFFAOYSA-N 451.575 2.426 30 10 JEEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1CCc1nnc2n1CCCCC2 1767571400 HLTIPPBNIFXBIO-KRWDZBQOSA-N 461.574 2.196 30 10 JEEE Cn1cc(-c2nnc(N3CCN(c4ccc(C#N)cc4F)CC3)n2CCC(=O)NC(C)(C)C)cn1 1769006710 ATJXTHGZWXVPKL-UHFFFAOYSA-N 479.564 2.321 30 10 JEEE CCCN(CCC(=O)O)C(=O)NS(=O)(=O)c1ccc(CNC(=O)c2cccc(C#N)c2)cc1 1858661236 BWFRLWSDRPONOB-UHFFFAOYSA-N 472.523 2.073 30 10 JEEE C=CCNC(=O)[C@@H](NC(=O)[C@@H]1CC(=O)N(CCc2ccc(OC)c(OC)c2)C1)c1ccccc1 1861593131 GMQKUVKRUBOYNM-YKSBVNFPSA-N 465.550 2.255 30 10 JEEE C=CCN(CC=C)c1cc(N2CCN(C(=O)CCN3CCOCC3)CC2)nc(-c2cccnc2)n1 1869368031 RSWITZOIUQNXHN-UHFFFAOYSA-N 477.613 2.088 30 10 JEEE C=CCOc1cn(Cc2ccc(S(N)(=O)=O)cc2)c(CN(CCO)Cc2ccccc2)cc1=O 1870385187 LZBWRSXVLFXVGH-UHFFFAOYSA-N 483.590 2.103 30 10 JEEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)NCCN1CCOCC1)n2Cc1ccco1 1873597023 WOBMBDXQPCQDBA-UHFFFAOYSA-N 450.543 2.313 30 10 JEEE COc1cc(/C=N/n2c(SCC(N)=O)nnc2[C@H]2CC(=O)N(C(C)C)C2)ccc1OC(C)C 1874337009 FGAYZXUSIRUNPN-CRUCUMJDSA-N 474.587 2.258 30 10 JEEE CCN(CC)C(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1cc(Cl)c(O)c(OC)c1 1874431402 RHHHXFDIJDXOKG-LSFURLLWSA-N 468.967 2.125 30 10 JEEE CN(CC(=O)N1CCN(c2cccc(C#N)c2)CC1)c1nc2c(S(C)(=O)=O)cccc2s1 1892381803 RZOMDSDZHGCMBB-UHFFFAOYSA-N 469.592 2.356 30 10 JEEE CC1(C)OB(c2n[nH]cc2C(=O)N2CCC(NC(=O)OCc3ccccc3)CC2)OC1(C)C 2247916665 BYFGQRIZGZUVLR-UHFFFAOYSA-N 454.336 2.240 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](CNC(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)[C@@H](O)C1 2255540357 MAFWQFWLKJGPJZ-BBRMVZONSA-N 452.382 2.005 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CCN(C(=O)OCc3ccccc3)C2)n1 2255635799 LNUUJXRFYPWHEE-GOSISDBHSA-N 468.363 2.343 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1COC[C@@H]1NC(=O)c1csc(B2OC(C)(C)C(C)(C)O2)c1 2255711532 ARDGMSWALPNKLW-GJZGRUSLSA-N 452.382 2.317 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCC[C@]1(C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2256620990 PCMGAMXJWCJPOF-YUNKPMOVSA-N 452.386 2.281 30 10 JEEE CC(C)(C)OC(=O)N[C@H](C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1)[C@@H]1CCOC1 2256677108 ADKSTUJTZZGZHH-OCCSQVGLSA-N 453.370 2.311 30 10 JEEE C[C@@H](NC(=O)[C@H](CO)CNC(=O)OC(C)(C)C)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2256678894 RTSRIYFNVDOKPL-KGLIPLIRSA-N 454.398 2.358 30 10 JEEE C[C@@H]1CC[C@H](CNC(=O)C(F)(F)F)N(C(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C1 2267160308 WDAZVOIAPILDLK-VXGBXAGGSA-N 461.315 2.362 30 10 JEEE CO[C@@H]1C[C@H](CNC(=O)c2occc2B2OC(C)(C)C(C)(C)O2)N(C(=O)OC(C)(C)C)C1 2267183634 HGVZSNGEVDIHSL-HUUCEWRRSA-N 450.341 2.333 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H]1NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2267354884 XFQKBHVRXQHEGI-HZPDHXFCSA-N 470.372 2.459 30 10 JEEE C[C@@H]1CC[C@H](NC(=O)C(F)(F)F)CN1S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2267464197 GLKCFMNNFWTBLK-NEPJUHHUSA-N 482.355 2.267 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2281793099 ZTZCUENHDSGUGC-INIZCTEOSA-N 464.343 2.491 30 10 JEEE CC(C)n1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H]1COC[C@H]1NC(=O)OC(C)(C)C 2281814728 MZACYDFHZQCVCP-IAGOWNOFSA-N 463.384 2.390 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(OC)[C@H]2CCN(C(=O)OC(C)(C)C)C2)n1 2281995664 FYXSSEOIAGWZED-HNNXBMFYSA-N 464.372 2.215 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 2282005578 QEPWOKSBVONEMY-ZBFHGGJFSA-N 462.400 2.403 30 10 JEEE 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)cnn1C 2282044816 WMAFXQUKEYCJDF-OAGGEKHMSA-N 460.384 2.047 30 10 JEEE CO[C@@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2F)C[C@H]1NC(=O)OC(C)(C)C 2282403842 YPNWKSZYUBRTSD-QZTJIDSGSA-N 464.343 2.489 30 10 JEEE Cc1nn(C)c(C(=O)NC[C@H](NC(=O)OC(C)(C)C)C2CCC2)c1B1OC(C)(C)C(C)(C)O1 2282573838 GPHLKYCIPLJZOT-INIZCTEOSA-N 462.400 2.451 30 10 JEEE C[C@H]1C[C@@H](CNC(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2282575243 ALYZYTWTMWHEMS-HOTGVXAUSA-N 462.400 2.485 30 10 JEEE CC(C)CN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1)C1CN(C(=O)OC(C)(C)C)C1 2282620220 CCAVHLROCCELCO-UHFFFAOYSA-N 462.400 2.437 30 10 JEEE CC(C)(C)OC(=O)N1CC2(CCC[C@@H]2NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2282649390 ZEIXUMGGRFGNPH-INIZCTEOSA-N 458.368 2.295 30 10 JEEE Cc1cccc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2O)c1B1OC(C)(C)C(C)(C)O1 2282689292 GSUJACVVLKSIML-MSOLQXFVSA-N 460.380 2.394 30 10 JEEE C[C@@H]1CCN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1CNC(=O)OC(C)(C)C 2282706101 HVHATIBKPXZBHN-CVEARBPZSA-N 460.384 2.399 30 10 JEEE CN1CCN(Cc2ccccc2)[C@@H](CNS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2282849830 HJFMTTSOYNWKFE-IBGZPJMESA-N 491.488 2.142 30 10 JEEE CC1(C)OB(c2sccc2CS(=O)(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)OC1(C)C 2282883863 GYUSEILEGHKPHF-HSZRJFAPSA-N 492.472 2.104 30 10 JEEE Cn1nnc(CNC(=O)OC(C)(C)C)c1C(=O)Nc1ccccc1B1OC(C)(C)C(C)(C)O1 2284035643 ABHAQPKWDFMQCJ-UHFFFAOYSA-N 457.340 2.391 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(C(=O)Nc3ccc(B4OC(C)(C)C(C)(C)O4)cn3)CO[C@H]1C2 2284062673 HPBTTWQTBVAXBM-SYJLOODJSA-N 459.352 2.392 30 10 JEEE CCOc1ccc([C@@H]2C(=C(O)c3cccc([N+](=O)[O-])c3)C(=O)C(=O)N2CCOCCO)cc1 2296946485 BNBQXUAONRDKEX-HXUWFJFHSA-N 456.451 2.424 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](O)CN1c1ncc(Cl)cc1B1OC(C)(C)C(C)(C)O1 2317223808 HGTZSCOGXHZIJZ-LSDHHAIUSA-N 453.776 2.499 30 10 JEEE CC(=O)NCc1nnc(SCc2nc(O)c3ccccc3n2)n1N=Cc1ccccc1C(=O)O 2330778009 FYHUYGPZZWANFW-UHFFFAOYSA-N 477.506 2.436 30 10 JEEE CCCN(CCC)C(=O)CSc1nnc(CNC(C)=O)n1N=Cc1ccc([N+](=O)[O-])cc1 2330778292 RXEWHETXWMJHIM-UHFFFAOYSA-N 461.548 2.445 30 10 JEEE CC(C)(C)OC(=O)N1CC(F)(F)[C@](C)(NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2336409044 ZAYMPPAXIMCETC-LJQANCHMSA-N 456.299 2.083 30 10 JEEE Cn1nc(C(=O)N[C@H]2C[C@@H]3C[C@H]2C[C@H]3NC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2359268060 RIZIOVGQHQOFSY-YHUYYLMFSA-N 460.384 2.141 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CCc2scc(B3OC(C)(C)C(C)(C)O3)c2C1 2361640444 SDDQZMHCIBOAKF-PBHICJAKSA-N 478.420 2.302 30 10 JEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)N1CC[C@@](C)(B2OC(C)(C)C(C)(C)O2)C1 2368335167 FPNYMUJWNWMRGX-KSFYIVLOSA-N 486.440 2.495 30 10 JEEE COc1ccc(OC)c(NC(=O)CSc2nnc(N/N=C/c3ccc([N+](=O)[O-])cc3)n2N)c1 20292092 MFGNCWUCVYZNOU-UFFVCSGVSA-N 472.487 2.094 30 10 JEEE C=CCNC(=O)[C@H](NC(=O)c1ccc2c(c1)OCO2)C1CCN(C(=O)c2ccccc2OC)CC1 36211670 DFEREFKGHIXNMC-HSZRJFAPSA-N 479.533 2.377 30 10 JEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC(NC(=O)CCCCC)CC2)cc1 499186345 DGIJYNLRSHWKFX-UHFFFAOYSA-N 478.615 2.119 30 10 JEEE COc1ccc(OC)c(N2C(=O)C(Sc3nc(C)cc(C)c3C#N)=C(N(C)CCO)C2=O)c1 526694667 QEWFAPUNJPTWHC-UHFFFAOYSA-N 468.535 2.389 30 10 JEEE CS(=O)(=O)CC[C@H](NC(=O)c1ccccc1Br)C(=O)NCc1ccc(C#N)cc1F 609231486 YAPSDSZULHZVTD-SFHVURJKSA-N 496.358 2.309 30 10 JEEE CCCCNC(=O)C(C#N)=c1sc(=Cc2cc(C(=O)OC)c(C)o2)c(=O)n1Cc1ccccc1 613076371 VFJPWRMBZOBWAO-UHFFFAOYSA-N 479.558 2.066 30 10 JEEE C#Cc1ccc(C(=O)OCC(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCCCC3)c2)nc1 729006537 DRNWDMFFEDXUEJ-UHFFFAOYSA-N 457.508 2.042 30 10 JEEE C#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCOC[C@H](C(=O)O)C1 757462587 XNASROOQZBQUIP-HXOBKFHXSA-N 462.502 2.477 30 10 JEEE C#CC[C@H](CO)NC(=O)[C@@H](CCC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 757473384 FDOZVXMZKRYVPJ-OPAMFIHVSA-N 450.491 2.259 30 10 JEEE C=CCSc1nnc(NC(=O)CSc2n[nH]c(NN=Cc3cn(C)nc3C)n2)s1 1084003223 FGRYURTXFAHTFA-UHFFFAOYSA-N 450.579 2.153 30 10 JEEE CC(=NNc1nnc(SCC(=O)Nc2cccc([N+](=O)[O-])c2)n1N)c1ccc2c(c1)OCO2 1084428083 UKELSHPYRXVQJP-UHFFFAOYSA-N 470.471 2.196 30 10 JEEE CC(C)(CC#N)CS(=O)(=O)NC[C@H](N1CCN(C(=O)OC(C)(C)C)CC1)C(F)(F)F 1189577963 HBOAHVMVGRXCRJ-AWEZNQCLSA-N 456.531 2.329 30 10 JEEE CCOc1ccc(N2CCN(S(=O)(=O)c3cc(Br)ccc3C#N)CC2)nn1 1192855636 AZCWYONAZLCYNE-UHFFFAOYSA-N 452.334 2.020 30 10 JEEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)cc(C)c2)n1CCS(=O)(=O)N1CCSCC1 1286301522 MIWNBRKLFMOJMU-IBGZPJMESA-N 477.656 2.310 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2OCCC2(C)C)c1 1286309324 JTKKPACNEONABI-OALUTQOASA-N 450.543 2.101 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccc(OCC)cc2)CC1 1286488388 NCYMVIYIGRYCON-SANMLTNESA-N 481.597 2.343 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](CC)Oc2ccccc2F)CC1 1286494651 PYRBHZVNZWPYSH-FQEVSTJZSA-N 496.587 2.363 30 10 JEEE C#CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1286499634 NKSCSAVQYAWQAW-GJZGRUSLSA-N 450.586 2.298 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc2c(cc1OC)C[C@@H](C)O2 1286516245 FEKZVSIEPHPFSK-CKNGIIGNSA-N 473.599 2.261 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2cnc(C)s2)CC1 1286547340 OJCJWVWGHZEAQD-QUCCMNQESA-N 473.647 2.485 30 10 JEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2nccc(C(F)(F)F)n2)CC1 1286637904 OWVMWLWWBJRWMY-ZDUSSCGKSA-N 459.498 2.096 30 10 JEEE C=CCCOCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@@H](CC(N)=O)C1 1286710527 ZOBMLSLIAGYODH-INIZCTEOSA-N 451.531 2.278 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCC1(C)C 1286773417 NKGBTVMTZULKPF-ZWKOTPCHSA-N 455.625 2.076 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@H](N2CCCCC2)C1 1286780522 XLACPXKVZXAFKG-KRWDZBQOSA-N 476.423 2.413 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1286782821 AEVOHQLANVDPON-KRWDZBQOSA-N 498.584 2.464 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1286784254 ZOGSFIOSFGGDSY-UHFFFAOYSA-N 495.584 2.192 30 10 JEEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C(C)C)C2)cc1 1286794559 KKSQHILYBKSPIJ-PXNSSMCTSA-N 463.604 2.363 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccc(N3CCOCC3)c2)C1 1286799350 VCBXZOVTPLGCNO-OAQYLSRUSA-N 454.575 2.083 30 10 JEEE CC(C)N(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1287926732 CVLLUJDVDWJUJK-SFTDATJTSA-N 451.575 2.316 30 10 JEEE CN(C)C(=O)[C@@H]1CCCN1CCCn1c(N2CCN(c3ccc(C#N)cn3)CC2)nnc1C(C)(C)C 1297957539 IEIYEMUEUCJVFI-NRFANRHFSA-N 493.660 2.112 30 10 JEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(=O)c2ccccc2F)CC1 1300364402 JYNBGPSYWKURSO-LJQANCHMSA-N 487.601 2.475 30 10 JEEE C#CCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCCN(C(C)=O)CC1 1300419943 WRRFXBCZOAZZGU-UHFFFAOYSA-N 463.630 2.115 30 10 JEEE C#CCCCn1c(N(C)CCN2C(=O)c3ccccc3C2=O)nnc1[C@]1(OCC)CCOC1 1300423687 SZKYATKCUCUFAP-DEOSSOPVSA-N 451.527 2.076 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(N2CCOCC2)cc1 1300555005 QIFQFZQIKGVUBQ-UHFFFAOYSA-N 469.549 2.273 30 10 JEEE C#CCN(CCOC)c1nnc(Cc2cccnc2)n1CCc1cnc2c(Cl)cnn2c1 1300673558 PGORIJYWCJZING-UHFFFAOYSA-N 450.934 2.289 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC[C@@H]2CCOC2)CC1 1300718868 HCJTTWLNGHBJPH-GOSISDBHSA-N 467.570 2.355 30 10 JEEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1ccc(C)o1 1300761235 AMZHTRJGJJAZEF-MJGOQNOKSA-N 479.628 2.220 30 10 JEEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 1300928664 LJVNJMCCYLNOCO-LSDHHAIUSA-N 482.010 2.368 30 10 JEEE C=CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1301196519 CTZIGRMOXBUUFS-LJQANCHMSA-N 460.966 2.169 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CCCC1 1301362513 FHNMIGRZFMVMES-SFHVURJKSA-N 481.644 2.170 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1301492908 RFMOYAHCFUQHCZ-GDBMZVCRSA-N 494.390 2.259 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C(=O)NC)CC1 1301569133 QIZPWBIKKMPLHE-IBGZPJMESA-N 490.630 2.097 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 1301586888 VFXRHINNBYYLBL-HKUYNNGSSA-N 489.573 2.068 30 10 JEEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 1358915910 TWFYZNNHSYPDNA-UHFFFAOYSA-N 452.534 2.306 30 10 JEEE C#CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1358924450 WWJPLSGKFXWZRP-OAHLLOKOSA-N 459.348 2.343 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCCOC(F)F)[C@H]1CCS(=O)(=O)C1 1358955131 FIKPQOKPYSBOMY-SFHVURJKSA-N 495.552 2.403 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1cc2ccccc2s1)[C@H]1CCS(=O)(=O)C1 1358955747 SPIDYZZYMOUZIB-KRWDZBQOSA-N 471.608 2.306 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CC1(O)CCCCC1)[C@H]1CCS(=O)(=O)C1 1358965478 VXGCVUAGMWZZGY-FQEVSTJZSA-N 460.575 2.330 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2ccccc2OC)n1CCCN1C(=O)NC2(CCCC2)C1=O 1358980038 GPFBKVBUXCIKCN-UHFFFAOYSA-N 474.565 2.205 30 10 JEEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(c2ccc(F)cc2)CCOCC1 1358999986 IXZDDUKAWSDICC-KRWDZBQOSA-N 463.579 2.235 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCC[C@@H]1OC 1359023429 KIVSCDIHXLFAAK-PXNSSMCTSA-N 450.543 2.093 30 10 JEEE C=C(Br)Cn1c(CC(C)C)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1359084359 FODAMTWEXPORKH-UHFFFAOYSA-N 481.439 2.326 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccccc2F)nnc1N1CCC(OCC(N)=O)CC1 1359105171 KUFNYLUYPAYLHJ-GAJHUEQPSA-N 473.549 2.448 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2c(c1)CCCN2C 1359113993 VKMPQNRPTBPQJU-QFIPXVFZSA-N 488.658 2.444 30 10 JEEE C=C(Cl)Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 1359153500 IGOUOQXDRQNLMV-KRWDZBQOSA-N 489.067 2.263 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2cc(F)ccc2F)CC1 1359291247 JLLPODUWDPMEJM-UHFFFAOYSA-N 475.544 2.104 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1359294300 PUMTUFCUOMFIKO-HZPDHXFCSA-N 492.330 2.133 30 10 JEEE COc1ccc(Cl)cc1N1C[C@H](C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)CC1=O 1435550341 CBDYPSAILVTQOL-HUUCEWRRSA-N 454.918 2.100 30 10 JEEE CC(C)(C)OC(=O)[C@@H]1CC(=O)N(C2CCN(S(=O)(=O)c3ccc(C#N)c(F)c3)CC2)C1 1464023218 FNIODMFXAOAASJ-OAHLLOKOSA-N 451.520 2.041 30 10 JEEE C#CCSCCNC(=O)[C@H](CC(N)=O)NC(=O)OCC1c2ccccc2-c2ccccc21 1465291569 AHXBNGMTEYHZNU-NRFANRHFSA-N 451.548 2.252 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccccc1CN1CCOCC1 1507516739 DJXXMVCNJVDAGU-NLFFAJNJSA-N 453.587 2.269 30 10 JEEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1507611443 NQKJEMWLLCIZJL-FQEVSTJZSA-N 476.560 2.005 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCc1cccc(OCCC)c1)[C@@H]1CCS(=O)(=O)C1 1507632247 KEMZMUFRTHHRRK-NHCUHLMSSA-N 472.611 2.440 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@H]2CSCCS2)CC1 1507732907 VHGIAOLLDGFOEA-FQEVSTJZSA-N 459.641 2.470 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1Cc1cccc(OCCN(C)C)c1 1507760351 YMYMYFDUOJYNPC-RUZDIDTESA-N 450.587 2.495 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@]1(O)CCN(C)C1 1507769002 ZWVYPPTXEMCRCN-OWAUWMPXSA-N 472.634 2.451 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)c1ccccc1 1507772877 NUQSQXYVJRTMSH-GREBRCKQSA-N 457.600 2.407 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](Cc2ccccc2)C1 1507844745 ONTPNIGUQKKXLK-RTWAWAEBSA-N 460.600 2.221 30 10 JEEE C=CCC(C)(C)Cn1c(-c2cccc(Br)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1507911123 HKWLXTYJEOGQGR-QGZVFWFLSA-N 487.402 2.457 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1508079086 NQFAIQDIFIFLIY-KGLIPLIRSA-N 484.420 2.268 30 10 JEEE C=CCOc1ccccc1Cn1c(CC)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1508106173 WQONKTQMMVALHO-HXUWFJFHSA-N 475.615 2.084 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@H](C)N(C)C)C1 1508121732 ABPKSPGAXHCFPR-GUDVDZBRSA-N 464.611 2.318 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C)CN2CCCCC2)C1 1508121852 ARCMIPGSWZVJEK-VAMGGRTRSA-N 451.637 2.084 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCC(Cn2cc(C)cn2)CC1 1508144343 POWIIXKBNUZFAP-UHFFFAOYSA-N 469.615 2.286 30 10 JEEE C[C@]1(C#N)CCCN(c2nnc(CCc3ccccc3)n2CC2(O)CCS(=O)(=O)CC2)C1 1510289893 FYGKWZTZMOIRPL-JOCHJYFZSA-N 457.600 2.133 30 10 JEEE CN(CCS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1CC[C@]1(O)C[C@H]2CC[C@H]1C2 1517352358 FCCWXTGKFFPEAQ-YDHSSHFGSA-N 473.599 2.151 30 10 JEEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@H]1CCOC[C@@H]1OC 1539025173 FWPHBHJBGGHPBO-FIXSFTCYSA-N 466.630 2.152 30 10 JEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC=C(c2ccc(O)cc2)CC1 1539072435 RGDWJQIITZLTNS-JOCHJYFZSA-N 485.610 2.414 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1CCC(=O)NC1CCCCC1)[C@H]1CCS(=O)(=O)C1 1539212178 SVEQNFOCYXCACS-FQEVSTJZSA-N 499.637 2.419 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCc2nccnc2C)CC1 1539428390 QUXYFFGJUUMOJO-UHFFFAOYSA-N 458.570 2.244 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)cn3C)n2Cc2cc(C)on2)CC1 1539468775 IRJRKISTSJNSGZ-UHFFFAOYSA-N 486.374 2.357 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@]1(C)OCCc2sccc21 1539538107 CGSCTLFUZMJDGV-LPTQZCDUSA-N 463.629 2.430 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccccc2F)C[C@H]1C 1539706508 KVXPHJQMJJMLGG-YLJYHZDGSA-N 478.594 2.041 30 10 JEEE C=CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCN1CCN(C)C(C)(C)C1 1540083609 BAWGFOFLDLIGME-UHFFFAOYSA-N 480.705 2.291 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C)cc(OC)c1)C1CC1 1540107829 DENCTGMCFUKLGB-FQEVSTJZSA-N 461.588 2.131 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CCCS(=O)(=O)C1 1540122125 PRFXMMUQADGQHU-VQTJNVASSA-N 468.583 2.118 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1NC(=O)CC1(C)C 1540146315 CVVCHCSPBQFJMP-RDJZCZTQSA-N 463.629 2.349 30 10 JEEE C=CCN(CC=C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1(C(N)=O)CCOCC1 1540163921 CONAQAQFNVWQRQ-UHFFFAOYSA-N 477.569 2.135 30 10 JEEE C=CCOc1ccccc1Cn1c(CN2CCCC2=O)nnc1N1CCCN(CCC)C(=O)C1 1540881328 GIMKMHCQKAWHAW-UHFFFAOYSA-N 466.586 2.462 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(Cc2cc(F)ccc2OC)CC1 1540900696 DXBRKRLXIQGVFT-UHFFFAOYSA-N 488.589 2.344 30 10 JEEE CN(CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@](F)(C#N)C1)CC(F)(F)F 1554288985 DWTTWAKLZKSEQU-SFHVURJKSA-N 474.484 2.285 30 10 JEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCCC[C@H]1c1nnc([C@H]2CCCO2)o1 1556845766 CBZAJFCOHCIWHD-FHLIZLRMSA-N 459.528 2.213 30 10 JEEE C#CCCCCn1c(C(C)C)nnc1N1C[C@@H]2[C@H](C1)[C@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1587702231 QUFWSMNYROKTGS-KZNAEPCWSA-N 465.620 2.332 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1CC1(S(C)(=O)=O)CCCC1)[C@@H]1CCS(=O)(=O)C1 1588045579 MXLBRYZQSWPLGC-LJQANCHMSA-N 490.651 2.238 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCc1cccc(C)n1)[C@H]1CCS(=O)(=O)C1 1588054209 LLRADOFKASVBOT-CTNGQTDRSA-N 457.600 2.135 30 10 JEEE C#CCN(c1nnc(C2CCCC2)n1CC(=O)N(C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1588055448 VXOVXTCYCLFANS-NRFANRHFSA-N 469.611 2.221 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@](C)(O)CCOC 1588133232 BDUXDNKFSXNAES-DVECYGJZSA-N 459.591 2.253 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H](c1ccccc1)N1CCOCC1 1588171038 RVONIQAHTDNZAX-HJOGWXRNSA-N 463.582 2.148 30 10 JEEE C#CCN(CCOC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H]1NC(=O)CC1(C)C 1588645554 AMABNLACANMITF-LJQANCHMSA-N 488.633 2.393 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(OCC)cc3)n2CC[C@@H]2COCCO2)CC1 1588742748 USIGFJJYUATPDH-NFBKMPQASA-N 469.586 2.378 30 10 JEEE C#CCN1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCOC(C)(C)C)CC1 1588811163 BLCARXZJVYULFN-UHFFFAOYSA-N 452.607 2.022 30 10 JEEE C=C(C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1589731450 KFMFTVYUZWIHKJ-QGZVFWFLSA-N 454.575 2.328 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@]1(C)CN(C)C1=O 1595307562 CVQJZAYXWKXWRV-GAJHUEQPSA-N 462.595 2.467 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCN(c2cnn(C)c2)CC1 1595500949 GZLNHLUAABGXGL-UHFFFAOYSA-N 499.417 2.378 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](c2cccc(OC)c2)N(C)C)C1 1595714395 NPAVBCDKGQVLIC-NJYVYQBISA-N 454.575 2.322 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@H](C(C)C)C1 1595766811 XXLSPUFZYBUMBI-INIZCTEOSA-N 472.409 2.498 30 10 JEEE C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1ccc(N(C)C)nc1 1596902231 FFENROBBZZPJBH-ROUUACIJSA-N 497.625 2.496 30 10 JEEE C=CCn1c(S)nc2cc(C(=O)N3CCC[C@](O)(C4(C(=O)OC)CCC4)C3)ccc2c1=O 1597952069 SBAQASSUNFPJGS-HSZRJFAPSA-N 457.552 2.182 30 10 JEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC3CCN(CC(=C)C)CC3)nnc12 1610392199 GRBKLDWXUZTKCU-UHFFFAOYSA-N 452.584 2.479 30 10 JEEE COC[C@H](C)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCO[C@@H](C#N)C1 1619581881 GAJBHSPSCMGGHO-SJORKVTESA-N 451.531 2.247 30 10 JEEE CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)COc2ccc(C#N)c(Br)c2)c1 1632339981 FFMPIDYWNQDWGU-GFCCVEGCSA-N 452.330 2.485 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)N(C)C2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)ccc1F 1640746816 YVFSLNQAIBFNON-GJZGRUSLSA-N 453.536 2.227 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2CCC(OC)CC2)c1 1689872415 YDZDRRCUYJMTQL-SNCIUUNGSA-N 499.637 2.442 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@@H]1CC(F)(F)CO1)[C@H]1CCS(=O)(=O)C1 1689982342 KWHIIYCSRKGSDP-WMZOPIPTSA-N 466.510 2.005 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1cc(F)cc(OC)c1)[C@H]1CCS(=O)(=O)C1 1689986538 RXQJZSXOGWEGLQ-IBGZPJMESA-N 455.515 2.163 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(=O)NC1CCCCC1 1690019195 COOTWXIERYOLEM-NRFANRHFSA-N 498.628 2.498 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1cc(C(F)(F)F)ccn1 1690033142 RGHQKUBMEUGVAB-HNNXBMFYSA-N 468.505 2.008 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCCC(F)(F)C1 1690047685 WWZUMZKPOIZHLF-MOPGFXCFSA-N 483.585 2.290 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2Cc2ccc(C(N)=O)cc2)CC1 1690134783 FWGSHYYMAQSETH-NRFANRHFSA-N 493.612 2.253 30 10 JEEE C#CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](C(N)=O)C1 1690186042 KXEUIGUTCXNQPI-SJORKVTESA-N 462.620 2.418 30 10 JEEE C#CCSCCn1c(N2CC[C@@H](Cc3cnn(C)c3)C2)nnc1[C@]1(OC(C)C)CCOC1 1690186441 QHTGMZCKQXBJNS-CVDCTZTESA-N 458.632 2.488 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCOC[C@H](C2CCC2)C1 1690238916 PDXJDPMOSDRKKE-AFYVEPGGSA-N 467.636 2.122 30 10 JEEE C=C(C)CN(CC)c1nnc(CN2CCCC2=O)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1690269834 JAHHOVVFNGJWNC-RTBURBONSA-N 464.636 2.007 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCS(=O)(=O)NC 1690271314 KRNPMBUCZJPWMG-INIZCTEOSA-N 456.613 2.302 30 10 JEEE C=C(C)Cn1c(Cc2ccccc2C)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1690289653 ITBAAOCAZJWVIJ-UHFFFAOYSA-N 456.572 2.393 30 10 JEEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)c1cccc(O)c1 1690313143 MAHDMPPOOKHIFE-XLIONFOSSA-N 479.603 2.107 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1690417478 TWHCFCCBHIALOE-MBSDFSHPSA-N 495.646 2.302 30 10 JEEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1690419008 DULNQXCMCUVVHR-HXUWFJFHSA-N 471.650 2.249 30 10 JEEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 1690472603 RBOOVBHYGSCXOW-MRXNPFEDSA-N 466.583 2.329 30 10 JEEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C(C)(C)C)C1 1690509099 WVLNPPQEOWABDX-ROUUACIJSA-N 455.625 2.076 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCC(=O)N2)n1CC(=O)NCC(F)(F)F 1690569060 CARSAHLAUQLSNH-HNNXBMFYSA-N 454.428 2.239 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(S(C)(=O)=O)CC1 1690597164 LLLDXJXFVVCYPR-KRWDZBQOSA-N 481.619 2.342 30 10 JEEE CC[C@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CC1(S(C)(=O)=O)CCC1 1694125601 DZHUPSQWRKOOBK-IRXDYDNUSA-N 472.619 2.136 30 10 JEEE CN(C)S(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1696632084 IAJSNMLNYCSDCU-HXUWFJFHSA-N 458.588 2.452 30 10 JEEE COC[C@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1697736372 DMXHLTDGYZWVSA-HXUWFJFHSA-N 465.602 2.234 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1Cc1cccs1 1705534249 CMSPIHYDMLDKML-MJGOQNOKSA-N 463.629 2.297 30 10 JEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CCCCCS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 1705560128 DJFWOQPIESTOKN-LJQANCHMSA-N 499.058 2.440 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@](C)(O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1705565233 HIYZRERFFHYHPQ-SXWKCWPCSA-N 458.584 2.054 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H](c1ccccc1Cl)N(C)C)[C@H]1CCS(=O)(=O)C1 1705565471 ILXQGDOZYVTTFG-LQWHRVPQSA-N 492.045 2.365 30 10 JEEE C#CCN(c1nnc(C2CC2)n1CCOc1cccc(C(F)(F)F)n1)[C@H]1CCS(=O)(=O)C1 1705566947 SASFQYDWPSISFH-HNNXBMFYSA-N 469.489 2.275 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@]2(C)CCCS2)CC1 1705650868 AWAGSUNQZKNBPI-QHCPKHFHSA-N 455.632 2.391 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(=O)N[C@H](C)CCC)C1 1705662171 RVRWDUGTIZJDGK-GUDVDZBRSA-N 481.688 2.068 30 10 JEEE C=CCN(CC=C)c1nnc(-c2cc(Br)cn2C)n1CCN1CCN(C(C)=O)CC1 1705870218 OWSNCXRUNBECIF-UHFFFAOYSA-N 476.423 2.389 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@H](c2ccc(F)cc2F)C1 1705894672 HBVQAEZDNVWJLB-IBGZPJMESA-N 476.528 2.355 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1cccc(C#N)c1 1705904302 LSHHHWJACALLMW-HXUWFJFHSA-N 495.584 2.397 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)[C@H]1CCCN(c2ccccc2)C1 1705927972 JZCQIFXQKKGDBS-NRFANRHFSA-N 486.642 2.220 30 10 JEEE C[C@H](C#N)CN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H](C)N1CCOCC1 1706069393 BSBQRRNGEWQSLD-IAGOWNOFSA-N 459.982 2.178 30 10 JEEE CC(C)CCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCCS(=O)(=O)C1 1706462148 AOVYDGVKCFATCG-SFHVURJKSA-N 450.609 2.105 30 10 JEEE C#CCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC[C@@H](NC(C)=O)C1 1722339054 QPWAAUFSMWVKLD-HSZRJFAPSA-N 463.630 2.161 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@H]1CN(CC(C)C)CCO1)[C@H]1CCS(=O)(=O)C1 1722361959 LBNJYJQIAOJPLF-FCHUYYIVSA-N 485.654 2.237 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@@H]1OCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1722366540 RPPYQZOGTKGEGN-QUCCMNQESA-N 460.575 2.450 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccnc(OCC(F)(F)F)c2)CC1 1722429448 MHFNDWNXPMFGIO-UHFFFAOYSA-N 493.534 2.336 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@@H]2CC(F)(F)CO2)CC1 1722432669 CAQJFIRTXUNMIW-KRWDZBQOSA-N 477.512 2.150 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(OCCO)c(OC)c2)CC1 1722434623 SDPHIJCKTSYATK-UHFFFAOYSA-N 482.972 2.177 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H]2CCCN2CC)CC1 1722443319 RCSGAQSIKWSIJS-LJQANCHMSA-N 455.994 2.444 30 10 JEEE C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1722521530 OAMPHRXGESIPQY-HNNXBMFYSA-N 452.519 2.070 30 10 JEEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 1722624658 GSVUGSPIGACZEJ-UHFFFAOYSA-N 485.614 2.172 30 10 JEEE C=CCCOCCn1c(Cc2ccccn2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1722629040 KZDRAKHCHQBXSA-ZJSXRUAMSA-N 481.645 2.236 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1722694700 FGSYTJUVXLUUED-UHFFFAOYSA-N 482.585 2.102 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCCC2(C)C)C1 1722719587 WXLCSCLBDAPHFA-GUDVDZBRSA-N 467.636 2.219 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]1c1ccc(C)o1 1722726706 ATFUWJJJENYLCH-SJORKVTESA-N 468.601 2.024 30 10 JEEE C=CCS(=O)(=O)CCn1c(CSc2ccc(C)cc2)nnc1N1CCN(C(=O)OC)CC1 1722732145 VLQPDJNZIXKXHF-UHFFFAOYSA-N 479.628 2.368 30 10 JEEE C[C@]1(C#N)CCCN(c2nnc(COc3ccccc3F)n2CCN2CCCS2(=O)=O)C1 1724014791 GRPWQTMCTPBIBN-OAQYLSRUSA-N 462.551 2.162 30 10 JEEE CC[C@@H]1CCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1727700823 HLAGPAWMKPDZKY-MISYRCLQSA-N 486.646 2.308 30 10 JEEE CCN(CC)CCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C#N)C1 1728417831 HCMQHVPZZXRNTK-IBGZPJMESA-N 459.982 2.322 30 10 JEEE CN(C)C(=O)C1(Cn2c(COc3ccccc3F)nnc2N2CCO[C@@H](C#N)C2)CCCC1 1729295544 BFZFAXZASNPHHH-KRWDZBQOSA-N 456.522 2.374 30 10 JEEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(OC)nc2)CCO1 1730608665 DYDACXGAVJUIDM-FQEVSTJZSA-N 450.499 2.032 30 10 JEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccc(F)c2F)CC1 1740566232 DRZBSGOQOYGOGZ-MRXNPFEDSA-N 466.558 2.297 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1Cc1ccnc(-n2cccn2)c1)[C@H]1CCS(=O)(=O)C1 1740616982 JYZNWMCUGABZEO-MJGOQNOKSA-N 453.572 2.047 30 10 JEEE C#CCN(c1nnc(-c2ccccc2)n1CC1(C(=O)N(C)C)CCCC1)[C@H]1CCS(=O)(=O)C1 1740620550 QIBNPMJRXPQKCY-FQEVSTJZSA-N 469.611 2.220 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC1(CCOCC)CCCC1)[C@@H]1CCS(=O)(=O)C1 1740628306 XCORLPINUMWJNJ-WOJBJXKFSA-N 464.632 2.396 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1CCn2ccnc2C1 1740629735 XZVYBEDIUSBYQJ-IBGZPJMESA-N 461.957 2.393 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnn(C)c3)n2C[C@@H]2N(C)CCCC2(C)C)n1 1740689177 QQSFHCNXAPCPPR-QFIPXVFZSA-N 479.633 2.282 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(Br)c3)n2CC2(CS(C)(=O)=O)CC2)CC1 1740692217 GPVLMAIFOUXWAY-UHFFFAOYSA-N 492.443 2.288 30 10 JEEE C#CCN1CCN(c2nnc(-c3noc4c3COCC4)n2C[C@@H](NC(=O)OC(C)(C)C)C(C)C)CC1 1740694255 DIDRRUAGWSPUNT-LJQANCHMSA-N 499.616 2.310 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](c2ccco2)N(C)C)CC1 1740707073 NQJXCYNAKMPJMS-NRFANRHFSA-N 461.570 2.126 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@](C)(O)C(C)C)CC1 1740707553 HATVZAGMEGXGOZ-VWLOTQADSA-N 469.586 2.239 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC[C@H]2COCCO2)CC1 1740707927 VMXSDFPXMRJTFM-NRFANRHFSA-N 487.988 2.282 30 10 JEEE C=C(C)COCCn1c(Cc2ccccc2OC)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1740794346 YCUAKQNCTNFEBX-JOCHJYFZSA-N 482.629 2.213 30 10 JEEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(CC(=O)N(C)C2CCCCC2)CC1 1740867760 UZEUBVWYESGQTF-UHFFFAOYSA-N 459.639 2.296 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccnc(OCc2ccccc2)c1 1741925068 GGYIDKIXVIBSOS-SBUREZEXSA-N 499.572 2.353 30 10 JEEE Cc1ccc(S(=O)(=O)NCCn2c(-c3ccc(C#N)cc3)nnc2N2CCC(CO)CC2)s1 1742290647 CAIRVKAVUHGZLO-UHFFFAOYSA-N 486.623 2.374 30 10 JEEE CCC[C@@H](C)C(=O)NCCn1c(Cc2ccccn2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1745206131 FBLOZUGIEMMJIX-HXUWFJFHSA-N 487.612 2.410 30 10 JEEE COC(=O)N1CCC(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2ccc(C#N)cc2)CC1 1748339688 HDPMDDQTDYTMDO-HXUWFJFHSA-N 486.598 2.167 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CCCCCC1)[C@@H]1CCS(=O)(=O)C1 1748821677 SIVVEIHXTCNYCQ-OAQYLSRUSA-N 497.621 2.441 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccccc2-c2cnn(C)c2)CC1 1748971224 IHKSOYAEBJQFSJ-UHFFFAOYSA-N 474.613 2.401 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@]2(N(C)C)CCC[C@H](C)C2)CC1 1748972345 GOHZZOGCGXIVKD-NBGIEHNGSA-N 464.618 2.191 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2nnc(C)s2)CC1 1749005961 CODRNRSSMBBDGU-UHFFFAOYSA-N 456.963 2.168 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H](C)CN2CCCCC2)CC1 1749008733 ALMKAWPUCTZEQO-UNMCSNQZSA-N 456.635 2.260 30 10 JEEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1749026519 LCIKNPJPFDBKDU-MRXNPFEDSA-N 483.063 2.468 30 10 JEEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1749195546 RFGOAAFBVOGOCT-ZHRRBRCNSA-N 462.551 2.194 30 10 JEEE C=CCNC(=O)Cn1c(N2CCc3c(F)ccc(F)c3C2)nnc1[C@]1(OC(C)C)CCOC1 1749682203 PKDYLKUNEKNAKS-QHCPKHFHSA-N 461.513 2.462 30 10 JEEE C=CCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N(C)C[C@H]2CCN(C(C)=O)C2)cc1 1749684568 ZOQOGOVLKNLTQN-TZIWHRDSSA-N 452.559 2.147 30 10 JEEE C=CCOc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@H](CC)C2)cc1 1749686070 PFUKAEOSWIACLY-GHTZIAJQSA-N 475.615 2.460 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](COC)C1 1749732321 VOEDAJJRKZUFRK-RBUKOAKNSA-N 497.662 2.466 30 10 JEEE C[C@H]1COCCN1CCn1c(COc2ccc(Br)cc2)nnc1N1CCO[C@H](C#N)C1 1752419896 GSBKGZRNXRFDQS-QFBILLFUSA-N 491.390 2.069 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC)n2Cc2cccnc2N2CCOCC2)c1 1760128774 RZBZETSNWWRBAF-UHFFFAOYSA-N 459.554 2.177 30 10 JEEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1CC(F)(F)CNC(=O)OC(C)(C)C 1760206898 QHUIJVDCWWDTII-UHFFFAOYSA-N 461.517 2.373 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccc(OC)c(OCC)c2)CC1 1760257076 OATSBUXYKHGZNX-VWLOTQADSA-N 469.586 2.141 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCN(C(=O)OC(C)(C)C)C2CC2)CC1 1760257334 UHTCHBZNYAZQKL-VWLOTQADSA-N 488.633 2.085 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)OCCOC)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1760289552 QEDMRMPPLDVTGT-KCOOYEKVSA-N 473.597 2.340 30 10 JEEE C=C(C)Cn1c(N2CCN(CC(=O)N[C@@H]3CCC[C@@H](C)C3)CC2)nnc1[C@]1(OCC)CCOC1 1760349574 QCOOYJKZDYOTEI-OTPAQWSUSA-N 474.650 2.323 30 10 JEEE C=C(C)COCCn1c(-c2cc(Br)cn2C)nnc1N(C)CCS(C)(=O)=O 1760350644 OIQIFPBCMFLPJT-UHFFFAOYSA-N 460.398 2.120 30 10 JEEE C=CCOc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CCC[C@H](S(C)(=O)=O)C2)cc1 1760531743 YHHVFAKIDPUYQY-FQEVSTJZSA-N 473.599 2.027 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1760552592 UFKJPTWRIBMNMM-UHFFFAOYSA-N 473.990 2.316 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1760553477 DGEOYHSTPMVEGI-NVXWUHKLSA-N 453.609 2.496 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CC[C@@H](N(C)Cc2ccccc2)C1 1760559116 JEXUYTOLZXMDMG-NHCUHLMSSA-N 459.616 2.441 30 10 JEEE CC1(C)COCCN1CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@](F)(C#N)C1 1761566769 APJDSTKRQDQSBG-QHCPKHFHSA-N 453.522 2.282 30 10 JEEE CCc1nc(C)c(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)Cc2ccc(C#N)cc2)o1 1764604603 HIWMMSKALOLLLN-OAHLLOKOSA-N 457.560 2.304 30 10 JEEE CCO[C@]1(c2nnc(N3CCN(c4cc(C#N)ccn4)CC3)n2C[C@@H](C)SC)CCOC1 1765911610 DCDVRGJTPCTXBL-VGOFRKELSA-N 457.604 2.275 30 10 JEEE CN(C)[C@@]1(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC[C@](C)(C#N)C2)CCSC1 1766900898 GAZNDXAHKWZFMJ-FGZHOGPDSA-N 454.604 2.493 30 10 JEEE CO[C@](C)(Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1)C1CC1 1767987790 CLQPXHVSXLSJJG-KSFYIVLOSA-N 458.588 2.102 30 10 JEEE N#C[C@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCN2CCCCC2)CCO1 1770746468 HAFZWBQVDUIDDQ-IBGZPJMESA-N 457.966 2.076 30 10 JEEE Cc1ccc(S(=O)(=O)NN=C2CCCc3oc(C(=O)NCCCN4CCOCC4)c(C)c32)cc1 1772747834 GJAPQMBSSJBXJZ-UHFFFAOYSA-N 488.610 2.367 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@H]2c2ccc3c(c2)OCCO3)cc1F 1862644740 RWUFCIZFYOOINH-NRFANRHFSA-N 470.453 2.320 30 10 JEEE C=CCn1cc(OCC(=O)N=c2nc3nc(C)cc(C)n3[nH]2)c(=O)cc1CNc1ccc(OC)cc1 1870853261 VELMLSCNFHEJOA-UHFFFAOYSA-N 489.536 2.149 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)COc2nonc2CC(=O)Nc2ccc3n[nH]cc3c2)nc1C 1872665321 UNZMMTWXZVDRQT-UHFFFAOYSA-N 497.493 2.252 30 10 JEEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)cc2c(N3CCN(CCO)CC3)ncnc21 1873595064 NRMPBZDNEQCNQK-UHFFFAOYSA-N 454.962 2.315 30 10 JEEE COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1OCC(=O)NC1CN(C(=O)OC(C)(C)C)C1 2049392846 DSOYEPWGWDWOOZ-UHFFFAOYSA-N 462.352 2.109 30 10 JEEE CC1(C)OB(c2ccnc(NC(=O)[C@@](C)(NC(=O)C(F)(F)F)C(F)(F)F)c2)OC1(C)C 2141677198 DNIUTTQFBFTCLB-OAHLLOKOSA-N 455.164 2.319 30 10 JEEE CC(C)(C)OC(=O)NCCOCCOCCNc1ncccc1B1OC(C)(C)C(C)(C)O1 2232273146 IVZGMFGTJCJMRP-UHFFFAOYSA-N 451.373 2.351 30 10 JEEE CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2248420535 WALGJAGTUAFMQE-ZDUSSCGKSA-N 455.411 2.369 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NC[C@H]2CO[C@H](CNC(=O)OC(C)(C)C)C2)C1 2255149306 WLDJLEOZHBPDJY-LLUXXFGUSA-N 451.564 2.339 30 10 JEEE CC(C)(C)OC(=O)NCC1(O)CCN(C(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)CC1 2267003970 XBLGHYPIUXPDAU-UHFFFAOYSA-N 450.341 2.071 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H]1NS(=O)(=O)c1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2267469175 RHHIWOBDPGKRDJ-HZPDHXFCSA-N 470.372 2.459 30 10 JEEE Cc1nc(C(=O)NCC2(CNC(=O)OC(C)(C)C)COC2)c(B2OC(C)(C)C(C)(C)O2)s1 2267475332 JGFKBZZFPVYCFK-UHFFFAOYSA-N 467.397 2.022 30 10 JEEE C[C@@H](CN(C)C(=O)OC(C)(C)C)N(C)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2267708931 SYWXDZORXONPSV-AWEZNQCLSA-N 489.469 2.459 30 10 JEEE C[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2267720374 AOHYLXIFCSDQRW-YPMHNXCESA-N 482.355 2.267 30 10 JEEE Cc1csc(CNC(=O)[C@@H](CN(C)C)NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2268653297 LRZDSDHRKBCUPJ-OAHLLOKOSA-N 467.441 2.427 30 10 JEEE C[C@H](NC(=O)[C@@H](O)C(C)(C)NC(=O)OC(C)(C)C)c1nscc1B1OC(C)(C)C(C)(C)O1 2268686669 FUFGLASFARCWCP-SWLSCSKDSA-N 469.413 2.284 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)Nc2nc(B3OC(C)(C)C(C)(C)O3)ccc2Cl)C1 2268785994 ODLACMNEGHHXHZ-OAQYLSRUSA-N 467.759 2.345 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@H](CNC(=O)c2c(F)cccc2B2OC(C)(C)C(C)(C)O2)C1 2281773219 PMHYFHHUVOTTSA-OAHLLOKOSA-N 464.343 2.491 30 10 JEEE Cn1ncc(C(=O)N2CC[C@H]3[C@@H](CCN3C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2281821898 GZCGEKKWSCASDD-RDJZCZTQSA-N 460.384 2.191 30 10 JEEE Cn1cc(C(=O)N2C[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)c(B2OC(C)(C)C(C)(C)O2)n1 2281972898 OQTWGGKCXGOLKF-VQTJNVASSA-N 450.392 2.313 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC1CC(NC(=O)OC(C)(C)C)C1 2282492837 SZFBWASWZRGNDX-UHFFFAOYSA-N 482.408 2.328 30 10 JEEE Cc1nc(C(=O)N2C[C@@H]3OCCN(Cc4ccccc4)[C@H]3C2)c(B2OC(C)(C)C(C)(C)O2)s1 2282515623 UMVNAPIOVBQDJM-OALUTQOASA-N 469.416 2.476 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC2(CC(NC(=O)OC(C)(C)C)C2)C1 2282594017 YMACLOLWNCHYJA-UHFFFAOYSA-N 460.384 2.332 30 10 JEEE CC(C)(C)OC(=O)N1CC2(COC[C@H](CNC(=O)C3CC(B4OC(C)(C)C(C)(C)O4)C3)O2)C1 2282658980 DVWCHBGCUUDVCX-JCYILVPMSA-N 466.384 2.380 30 10 JEEE Cc1nc(NC(=O)c2c(C)[nH][nH]c2=NC(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2283925665 CQYTYRNEMRPBMX-UHFFFAOYSA-N 458.328 2.137 30 10 JEEE C[C@H](c1nscc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)[C@@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C 2283947529 BKMCPWRDYOFEIN-FMKPAKJESA-N 481.424 2.332 30 10 JEEE Cn1nc(CNC(=O)OC(C)(C)C)cc1C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2283961807 IEBIQYQMUPLEOZ-UHFFFAOYSA-N 477.396 2.131 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](Cc1ncns1)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2284038407 IFOTUZNZDHGKCL-AWEZNQCLSA-N 475.380 2.307 30 10 JEEE C[C@H](NC(=O)C1(O)CCN(C(=O)OC(C)(C)C)CC1)c1nscc1B1OC(C)(C)C(C)(C)O1 2284052037 UXNVNRYYHHXMOX-AWEZNQCLSA-N 481.424 2.382 30 10 JEEE Cc1scc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)c1B1OC(C)(C)C(C)(C)O1 2320437264 HWKJPMMSGOIIFZ-CABCVRRESA-N 452.382 2.066 30 10 JEEE CN(C)CC1(Oc2nccc(B3OC(C)(C)C(C)(C)O3)c2F)CN(C(=O)OC(C)(C)C)C1 2343827967 PVCLLGYKLVTLSO-UHFFFAOYSA-N 451.348 2.450 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H]2OCCN(C(=O)c3cnsc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2362499419 TVLAKQDPKHWNCI-HOTGVXAUSA-N 479.408 2.293 30 10 JEEE COc1nc(OC[C@H]2CN(C)CCN2C(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2365379751 LETBGICHUHYHFC-MRXNPFEDSA-N 463.384 2.319 30 10 JEEE CCn1c(CCC(=O)N[C@@H](C#N)c2ccccc2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 9219569 JNIXFYJEEZEYDL-NRFANRHFSA-N 481.578 2.391 30 10 JEEE COC(=O)c1ccc(/C=N/Nc2nnc(SCCC(=O)Nc3ccc4c(c3)OCCO4)n2N)cc1 20914142 YOCMZICEYJAUTJ-ZMOGYAJESA-N 497.537 2.117 30 10 JEEE CC(C)n1cc(/C=N/Nc2nnc(SCCC(=O)Nc3ccccc3[N+](=O)[O-])n2N)cn1 20921333 SECBRVNRWQZGBN-AWQFTUOYSA-N 458.508 2.244 30 10 JEEE CCOC(=O)C1CCN(c2nc3c(c(=O)[nH]2)[C@H](c2ccc(SC)cc2)[C@H](C#N)C(=O)N3)CC1 72444691 GLDQICPTKOLHPQ-DLBZAZTESA-N 467.551 2.495 30 10 JEEE CCOC(=O)[C@@H]1CCCN(c2nc(O)c3c(n2)NC(=O)[C@H](C#N)[C@H]3c2ccc(OC)cc2)C1 256032435 DUUXCMQXPBAGDN-DJIMGWMZSA-N 451.483 2.194 30 10 JEEE CN1CCN(S(=O)(=O)c2ccc(NC(=O)[C@H]3CCCN3c3ccc(C#N)cc3)cc2)CC1 609093812 AXSAXYLQJAPBFD-JOCHJYFZSA-N 453.568 2.102 30 10 JEEE C#CCNC(=O)CN1CCN(C(=O)[C@H](CC(C)C)NC(=O)c2ccc(Cl)cc2Cl)CC1 728608650 MRLABFQJKAOONZ-IBGZPJMESA-N 467.397 2.032 30 10 JEEE Cc1cccc(C)c1-n1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2cnn3ccccc23)c1=O 729671073 CSFJAWNJZOWIFH-UHFFFAOYSA-N 471.586 2.439 30 10 JEEE O=C(NCC#CC(=O)N1C[C@H]2COCC[C@@]2(C(=O)O)C1)OCC1c2ccccc2-c2ccccc21 757215461 ZITIHSSOZKYWDY-XRHLQHRESA-N 474.513 2.478 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@H](C)N2CCOCC2)CC1 1286492057 FGCCFATUGLRGLE-JOCHJYFZSA-N 494.640 2.160 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2C[C@@]2(N(C)C)CCSC2)CC1 1286494668 QAIZHTRGTMBWPD-SANMLTNESA-N 496.681 2.303 30 10 JEEE C=C(Br)Cn1c(-c2cnccn2)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 1286537753 DBVOFOPLUSMHBP-UHFFFAOYSA-N 483.374 2.404 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCN(CC(=O)NCC)CC1 1286564316 GBFOTQYWPGYNHC-CYFREDJKSA-N 486.592 2.236 30 10 JEEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 1286770812 XLJOYAKFYRZPPW-FQEVSTJZSA-N 493.655 2.365 30 10 JEEE C=CCn1c(CCc2ccc(OC)cc2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1286775204 PJOKZZPSKVGLLR-UHFFFAOYSA-N 452.603 2.392 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC(n2cc(Cl)cn2)CC1 1286818603 KQERRVNYHAHKGF-UHFFFAOYSA-N 462.967 2.027 30 10 JEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCN(CC(F)(F)F)C1 1300440891 AEECIGITTAMVPK-INIZCTEOSA-N 484.548 2.149 30 10 JEEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1C[C@H](C)CN1CCOCC1)[C@H]1CCS(=O)(=O)C1 1300481866 CBJFEAITCQBIRY-YFNKSVMNSA-N 499.681 2.415 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@](C)(O)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1300496547 SBVORPAEMBJBSM-XQFWAAQXSA-N 464.632 2.130 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(=O)NCC1CC1 1300581228 PRKNFYCNDHDNLX-FQEVSTJZSA-N 468.602 2.382 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2csc(C)n2)n1CCC[C@@H]1NC(=O)NC1=O 1300650069 RRIWCRNJXLWDSJ-IBGZPJMESA-N 481.557 2.401 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc4c(s3)CC[C@H](C)C4)n2CCS(C)(=O)=O)CC1 1300718781 XWHLINNVYRKOIT-INIZCTEOSA-N 489.667 2.142 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCCC(F)(F)C2)CC1 1300726800 RHBMDZXMTJNNGI-PKOBYXMFSA-N 497.612 2.362 30 10 JEEE C#CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC=C(COC)CC1 1300755195 NYVCYZVKOQOQIV-UHFFFAOYSA-N 460.629 2.388 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)n(C)c1=O 1301349699 QMFFEOHVBNZPAK-OAQYLSRUSA-N 467.595 2.428 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@H](C(C)C)C1 1301483137 IATDHTSUVWTVIW-INIZCTEOSA-N 451.369 2.210 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1301503309 YPJGMZZUSAGKIF-RXVVDRJESA-N 482.585 2.081 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(N(C)c2ccccc2)CC1 1301520572 IWHJKYCICIBXLI-CVDCTZTESA-N 468.602 2.410 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(C)nc4ccccc34)n2CCS(=O)(=O)NC)C1 1301543046 HWEVJZABDXCSTN-QGZVFWFLSA-N 456.572 2.132 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(F)cc3Br)n2Cc2nnn(C)n2)C1 1301546811 VDLFZXRALOWWBE-CYBMUJFWSA-N 463.315 2.200 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1301587981 ZJDGHCSTXKEFSW-AWEZNQCLSA-N 492.593 2.307 30 10 JEEE C=CCSCCn1c(CC2CC2)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1301617638 GJUNCOFISGJVFU-KURKYZTESA-N 497.687 2.276 30 10 JEEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(C(C)(C)C)n1CCCC(=O)NC1CC1 1305120181 CIFZFGWHELGDQJ-MRXNPFEDSA-N 451.579 2.011 30 10 JEEE C#CCN1CCC[C@H](NC(=O)NCc2cccc(NS(=O)(=O)c3ccc(OC)cc3)c2)C1 1311985170 BGJRESCUGCFMFB-FQEVSTJZSA-N 456.568 2.393 30 10 JEEE CCn1cc([C@H]2CN(c3nnc(COc4ccc(C#N)cc4)n3CC(C)(C)O)CCO2)cn1 1313835676 GWZZQZYSJDYYAY-HXUWFJFHSA-N 451.531 2.294 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1CCCCCN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1358964395 YKRDKUIOEBHGQI-SFTDATJTSA-N 463.648 2.065 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCOC1CCCCC1)[C@H]1CCS(=O)(=O)C1 1358967214 GCPKNNALOMTZMS-AZUAARDMSA-N 450.605 2.496 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1Cc1cccc(CN2CCO[C@H](C)C2)c1 1358991685 KYXNVHLMYBGYEC-OAQYLSRUSA-N 455.566 2.467 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCCn2nc(C)cc2C)CC1 1359044886 QXNZETMZKOOWEG-NRFANRHFSA-N 453.591 2.389 30 10 JEEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(=O)NCCCC)C1 1359084898 VSJRNMHBIOLMFJ-CVEARBPZSA-N 488.452 2.222 30 10 JEEE C=C(Br)Cn1c(Cc2cccnc2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1359085295 ILMRSJQHLRIYFK-OXQOHEQNSA-N 488.434 2.161 30 10 JEEE C=C(C)Cn1c(COc2ccc(Br)cc2)nnc1N1CCN(CC(=O)NCC)CC1 1359124273 UEDIRSKHZGYSMD-UHFFFAOYSA-N 477.407 2.454 30 10 JEEE C=CCCOCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN2CCOC[C@H]2C1 1359229697 RIFHIUNUYBLVST-UXHICEINSA-N 476.622 2.464 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1CN1CCCCC1 1359240379 MVNVZYVMWVNEJZ-QFIPXVFZSA-N 488.658 2.267 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@]1(O)CCSC1 1359262115 IEGQFCHGGFQNEX-KSSFIOAISA-N 457.647 2.010 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1359296880 XNHRZXUUBOSDFC-QGZVFWFLSA-N 484.557 2.422 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CC[C@@H](COc2ccccc2)C1 1359331446 ZJQFSSHDLRNXGI-GOSISDBHSA-N 456.572 2.185 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 1359332633 CHWBTFRGAZIURF-UHFFFAOYSA-N 477.606 2.108 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC(n2ccc(C(F)(F)F)n2)CC1 1359333116 OJBQWWOYSUQNAD-HNNXBMFYSA-N 488.536 2.440 30 10 JEEE Cc1cc(C)cc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H](C)CN2CCOCC2)c1 1361035515 FBYBQAYBRMWMLG-UNMCSNQZSA-N 454.575 2.171 30 10 JEEE C#CCN(CC(=O)Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1OC)C1CSC1 1460376175 OHOLMLWBKFLGAC-UHFFFAOYSA-N 451.614 2.249 30 10 JEEE CC(=O)N1CCc2ccc(S(=O)(=O)N3CC[C@@H](N(C)c4cccc(C#N)c4)C3)cc2CC1 1464467393 IEUNPNVKIZVZGU-HSZRJFAPSA-N 452.580 2.405 30 10 JEEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)NCC(C)(CO)CO)c1 1468453033 MSUZADWYBXUZHO-UHFFFAOYSA-N 452.960 2.442 30 10 JEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@]3(CO)C[C@@H]3c3ccccc3)CC2)cc1 1468573131 CHBXDLJDQBRVQR-VWNXMTODSA-N 453.564 2.241 30 10 JEEE CCOc1ccc(N(CCC#N)C(=O)Cn2cnc3ccc(S(C)(=O)=O)cc3c2=O)cc1 1473019838 BASVDADBPACLJR-UHFFFAOYSA-N 454.508 2.146 30 10 JEEE C=CCc1cc(CNS(=O)(=O)c2ccccc2S(=O)(=O)N(C)C)cc(OC)c1OC 1474893165 ZUOKFOYXBVIGNJ-UHFFFAOYSA-N 454.570 2.161 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1CC(C)(C)OCC)[C@@H]1CCS(=O)(=O)C1 1507626974 HSQDXPAGSVHRCP-QGZVFWFLSA-N 476.599 2.404 30 10 JEEE C=C(C)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1507829951 MHTNLAKFDCXFKC-MRXNPFEDSA-N 456.572 2.435 30 10 JEEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)c2ccco2)CC1 1507836026 UJCJRIPGUJNTAA-UHFFFAOYSA-N 465.514 2.074 30 10 JEEE C=CC1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1507896976 DFSDPVKWIFQXMC-UHFFFAOYSA-N 476.599 2.304 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCN(C2CCCCC2)C(=O)C1 1508081720 NDLRWTPMWZMJIR-UHFFFAOYSA-N 452.559 2.237 30 10 JEEE C=CCOc1ccccc1Cn1c(COCC)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1508110095 XWVOFGWGKMPPTB-HXUWFJFHSA-N 475.615 2.432 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H](C(C)C)C1 1508137200 ZFJJEAKOVQNSFM-SFHVURJKSA-N 466.629 2.432 30 10 JEEE C=C[C@@H]1OCC[C@H]1NC(=O)COc1ccc(N(C)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 1525738967 DGFKKDIBUPERPO-YADHBBJMSA-N 473.551 2.309 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)N1CCc2ccccc2C1 1538974096 QZZSJCLMPHWVIS-MSOLQXFVSA-N 458.632 2.183 30 10 JEEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1CCN(C(=O)OC(C)(C)C)C1CC1 1539238156 QWRMZISPDZHBJB-XMMPIXPASA-N 457.575 2.403 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(OCC=C)cc2)CC1 1539463140 VCYMDAIFZPEHOF-GMAHTHKFSA-N 451.571 2.370 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCc2nccnc2C)CC1 1539474604 VGBDMYCKMIOXHY-UHFFFAOYSA-N 489.580 2.269 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)c2ccccc2)CC1 1539612838 QYWIFFQKNLNKKW-SFTDATJTSA-N 466.586 2.360 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@@H](CNC(C)=O)C1 1539624989 XQOFAJVFFYSLPL-LEDOBFOHSA-N 485.585 2.285 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CC[C@](C)(C(=O)NC)C2)nnc1[C@]1(OC(C)C)CCOC1 1539642523 QTBWCMUCAYECKJ-GABIRTJKSA-N 461.607 2.262 30 10 JEEE C=CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1539991181 YEFONASXUGWCPP-UHFFFAOYSA-N 485.618 2.137 30 10 JEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1cccc(F)c1)N(C)C)C1CC1 1540109585 RRJXXPQAYHHYEK-NHCUHLMSSA-N 492.621 2.208 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(=O)N2CCCC2)n1Cc1nncn1CC 1540119514 KJGGJZUSMCXBMI-UHFFFAOYSA-N 450.547 2.375 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H](n2cncn2)C1 1540863026 NYUMXNWKGLSGIV-SJLPKXTDSA-N 454.510 2.292 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCN(CCOC)CC1 1540863788 FPNFJRZTVREFSC-UHFFFAOYSA-N 477.613 2.423 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC(Oc2cncc(Cl)n2)CC1 1540902930 UNFQNVRXEWRIGA-INIZCTEOSA-N 497.021 2.264 30 10 JEEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccccc2C1 1540917366 UPSKWJKAJRKKQQ-IBGZPJMESA-N 463.629 2.093 30 10 JEEE CCc1nnc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCCN(C(C)=O)CC2)s1 1546403355 AXNYHXTUYZVEKM-UHFFFAOYSA-N 466.571 2.250 30 10 JEEE C#CC[C@@H]1CCN(C(=O)c2cc(Br)cc(S(=O)(=O)N3CCOCC3)c2F)C1 1585656001 FWKJFTKGNPBEIA-CYBMUJFWSA-N 459.337 2.095 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)Nc3cc(S(C)(=O)=O)ccc3OCCOC)cc2C1=O 1587021781 QRWHJFMFQBIZRV-UHFFFAOYSA-N 458.492 2.150 30 10 JEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C1CCN(C(=O)c2ccccc2)CC1 1587808967 XDHRIHZYSVDTPQ-SFHVURJKSA-N 472.615 2.043 30 10 JEEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1587813513 OUTHYXRDVRRGGX-UHFFFAOYSA-N 488.434 2.204 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@@H]1CCC[C@@H](O)C1)[C@H]1CCS(=O)(=O)C1 1588035821 XZUGFTMRJINFHC-YZGWKJHDSA-N 458.584 2.132 30 10 JEEE C#CCN(c1nnc(-c2ccc(Br)cc2)n1C[C@](C)(O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1588040800 QUEQGDHLWLALOH-NQIIRXRSSA-N 493.427 2.495 30 10 JEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1CCc1noc(CC)n1)[C@@H]1CCS(=O)(=O)C1 1588058804 CSVYTVRWGUCHIB-GOSISDBHSA-N 489.001 2.337 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCc1cnn(C)c1 1588233679 NRUXYESFTHFNAX-OAQYLSRUSA-N 481.601 2.416 30 10 JEEE C#CCSCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(C(=O)COC)CC1 1588985662 WJTVAVDAYWEOQG-QGZVFWFLSA-N 461.563 2.219 30 10 JEEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@](O)(c2ccccc2F)C1 1589296845 XYRXJYNYDSGZRV-FZKQIMNGSA-N 488.383 2.034 30 10 JEEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1593636567 OCBHCQNXKYYADW-BRWVUGGUSA-N 453.609 2.496 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CN2CCCC2=O)n1C[C@]1(O)CCSC1 1595100052 MJUZBJGHBPKXNU-HSZRJFAPSA-N 452.584 2.333 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cnn(CC)c1 1595302615 BTJXHKWMSVHFCM-LJQANCHMSA-N 475.594 2.490 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(C)OCCc2sccc21 1595303556 VCXRJYGBMNEWJT-IERDGZPVSA-N 466.629 2.369 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1595490144 NSNHOQJHRQPLDO-JLTOFOAXSA-N 479.379 2.112 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCc2cc(OC)c(OC)c(OC)c2CC1 1595523353 UYQVBBAOVUJQDC-UHFFFAOYSA-N 480.569 2.217 30 10 JEEE C#C[C@]1(O)CC[C@@H]2[C@H]3CCC4=C/C(=N/OCC(=O)N[C@H](CO)C(=O)O)CC[C@]4(C)[C@@H]3CC[C@@]21C 1614469832 LFHYHJHRXQUQHI-FWWCDVAHSA-N 472.582 2.248 30 10 JEEE CCCNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCOC[C@@H]2C)C1 1614908739 HAJSMNPFQUCMOQ-UGKGYDQZSA-N 465.602 2.280 30 10 JEEE CCN(C[C@@H]1CCCO1)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1615562829 BEJAIBWEMIIOSI-ICSRJNTNSA-N 458.588 2.104 30 10 JEEE CO[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1)C(C)C 1618976715 HKRNWUYAARTDBD-NHCUHLMSSA-N 452.559 2.315 30 10 JEEE C#CCn1ccc(CN(CC)C(=O)c2cc(S(N)(=O)=O)cc(Br)c2Cl)n1 1634609940 YUPQSOKBNANUDZ-UHFFFAOYSA-N 459.753 2.242 30 10 JEEE N#Cc1ccc(CN2CC[C@H](NC(=O)CCS(=O)(=O)c3ccc4c(c3)CCC4)C2=O)cc1 1635701021 ICRCOTSUXSPXMF-QFIPXVFZSA-N 451.548 2.128 30 10 JEEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(C(=O)OC)cc2OCC(F)F)c1 1645804918 LZHDZKUNPCBWCR-UHFFFAOYSA-N 452.435 2.281 30 10 JEEE C#CCN(C(=O)C[C@@](O)(c1nccn1C)C(F)(F)F)C1CCN(C(=O)OC(C)(C)C)CC1 1649035673 IIRYYAZJTRSUFB-HXUWFJFHSA-N 458.481 2.421 30 10 JEEE C#C[C@@H](C)NC(=O)Nc1ccc(N2CCOCC2)c(S(=O)(=O)Nc2ccc(OC)cc2)c1 1665752977 SFDUDHBZZYERMB-MRXNPFEDSA-N 458.540 2.476 30 10 JEEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1689920843 LOJIOWHLTORFGR-IBGZPJMESA-N 461.574 2.323 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCOc1cccc(Cl)c1 1689930677 XBVPDCIWGOBPQA-LJQANCHMSA-N 482.006 2.193 30 10 JEEE C#CCN(c1nnc([C@@H]2COc3ccccc3O2)n1CC(C)(C)OCC)[C@@H]1CCS(=O)(=O)C1 1689990479 PBLMEZRGIPSBJU-XLIONFOSSA-N 474.583 2.232 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1Cc1ccc(OC)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1689994487 ZFPRULXOASWQHK-GOSISDBHSA-N 489.598 2.457 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2c(F)cccc2F)n1C[C@@]1(N2CCOCC2)CCSC1 1690021078 HTYLFRDHMGSRDA-DEOSSOPVSA-N 471.577 2.428 30 10 JEEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCNC(=O)C1CCC1 1690047807 ZFQRDZGGUJRVBD-UHFFFAOYSA-N 474.613 2.221 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2C[C@@H]2CCN(CC)C2)CC1 1690152402 JLZRPUCYUICDHK-LJQANCHMSA-N 468.577 2.304 30 10 JEEE C#CCSCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC(NC(C)=O)CC1 1690180362 DXUAMXSLFYTGJH-UHFFFAOYSA-N 495.697 2.114 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(C)(C)C(=O)NCC 1690196541 NYPRINWBLRWIQU-XMMPIXPASA-N 486.642 2.350 30 10 JEEE C=C(Cl)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C(=O)NC)CC1 1690345852 FIYOSCZSDYRLJP-MRXNPFEDSA-N 468.986 2.301 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)OC(C)(C)C1 1690433331 VJTZIWDWANAXFT-IRXDYDNUSA-N 455.625 2.217 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC1(O)CCC1 1690578053 QKTXFAXEHAYOIR-SFHVURJKSA-N 481.644 2.170 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1690731627 OMVSJRZRDADGJJ-PLACYPQZSA-N 497.706 2.343 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(CS(C)(=O)=O)cc1 1705479680 NRYNTLNPRVIAGR-MBSDFSHPSA-N 460.600 2.370 30 10 JEEE C#CCN(c1nnc(-c2cccc(Br)c2)n1CCCOC)[C@H]1CCS(=O)(=O)C1 1705561714 SPADVGZYKXNBDE-KRWDZBQOSA-N 467.389 2.371 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1705564195 AXKOHNNGPNSZEO-NHCUHLMSSA-N 472.611 2.440 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CC[S@@](=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1705567896 BVWKRZAAWIPTSQ-HYHKQLJDSA-N 496.630 2.170 30 10 JEEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1Cc1snnc1C)[C@H]1CCS(=O)(=O)C1 1705568476 OGKSKNSMUHKACG-SFHVURJKSA-N 486.623 2.309 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1705570228 LTMNSCOKSQRTNY-UXHICEINSA-N 458.584 2.073 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CCc2ccc(OCC(F)(F)F)nc2)CC1 1705639796 WOPFEXBVJTXPOA-SFHVURJKSA-N 464.492 2.116 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCCN(c2nccc(OCC)n2)CC1 1705936867 ZXMHIVDTUYYHQJ-UHFFFAOYSA-N 489.646 2.442 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@]1(C)OCCc2sccc21 1706069464 CZPVZZJUHHAAAL-BIENJYKASA-N 452.606 2.034 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1cccc(OCCN(C)C)c1 1706877487 AVNGFNCTTCQICL-WZONZLPQSA-N 489.646 2.007 30 10 JEEE CS(=O)(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCCS2)CC1 1712705658 ANEGVABIHPSUIC-IBGZPJMESA-N 476.628 2.096 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cccnc1N1CCOCC1 1722277066 KEVQJPDBVACZMU-NTKDMRAZSA-N 454.575 2.057 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCc1c[nH]c2cc(C)ccc12)[C@H]1CCS(=O)(=O)C1 1722358025 CKJPYVMVPIATNW-IBGZPJMESA-N 482.610 2.075 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1Cc1ccc(N2CCN(CC)CC2)nc1)[C@@H]1CCS(=O)(=O)C1 1722365400 NPZPWBNUNSPTJJ-IFMALSPDSA-N 499.685 2.004 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H](C1CCCCC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1722367258 UYJNIAITSQVHKA-PKTZIBPZSA-N 484.670 2.401 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(F)(F)Br 1722447373 LNJLBKPUABXDBJ-UHFFFAOYSA-N 481.301 2.266 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cn4ccccc4n3)n2C[C@](C)(O)CCC)CC1 1722449304 PIPQIFCIKMKISC-RUZDIDTESA-N 463.586 2.034 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2Cc2cccnc2OC)CC1 1722449634 NDLMQWRXQHWJCR-UHFFFAOYSA-N 458.566 2.481 30 10 JEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 1722462678 QQMRIYFIWLHKJU-GOSISDBHSA-N 460.648 2.146 30 10 JEEE C=C(Br)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1722486835 FNKLMTXGIASPPP-UHFFFAOYSA-N 492.422 2.124 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1722494884 SUSBUIZNGVSYAX-FPOVZHCZSA-N 471.606 2.325 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2OCC)n1CCS(=O)(=O)N(C)C 1722497965 JSJBHVXVFFLNFO-JOCHJYFZSA-N 461.588 2.139 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCN(Cc2cc(C)on2)CC1 1722706627 VUIQZLGNJAKBLY-UHFFFAOYSA-N 485.976 2.431 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CC[C@@H](C3CCOCC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1722732047 UCESRPKAJQHKCK-NFBKMPQASA-N 482.647 2.172 30 10 JEEE CCO[C@@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCNC(=O)c2ccc(C)cc2)CCOC1 1728794268 GVNYBVXHQAPQIZ-PKTZIBPZSA-N 456.522 2.111 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2ccccc2F)n1Cc1cnn(C)c1C)[C@H]1CCS(=O)(=O)C1 1740616628 DJRMHPFIAKATGM-MJGOQNOKSA-N 486.573 2.274 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1CCn1cc(Cl)cn1)[C@H]1CCS(=O)(=O)C1 1740627551 IIIKADRXGRFMIG-KRWDZBQOSA-N 492.964 2.173 30 10 JEEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(C)cc1N1CCOCC1 1740633032 ZTUGEGVCPQIGEQ-AREMUKBSSA-N 463.582 2.196 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2cc(OC)c(OCC)c(OC)c2)CC1 1740705538 HZXQVUBHEZDJEQ-FQEVSTJZSA-N 497.596 2.212 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCOc2ccccc2)nnc1N1CCN(C(=O)COC)CC1 1740763347 KATDISPRRIJJMZ-YKSBVNFPSA-N 469.586 2.176 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(N)=O)C1 1740764097 UOTPUKWZPZOGRT-JQVVWYNYSA-N 450.543 2.412 30 10 JEEE C=C(C)COCCn1c(-c2cccc(C)n2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1740793027 OLONPIXQRSPZOO-HSZRJFAPSA-N 483.661 2.472 30 10 JEEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H]1c1nncn1C 1740796039 LXFLVPLQMUCEPS-INIZCTEOSA-N 456.576 2.332 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1740951364 WQTPFSMOYBWVNC-UHFFFAOYSA-N 481.601 2.144 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCC[C@H](C(=O)OC)C1 1740954520 ATQVSDHESFWIAA-SFHVURJKSA-N 471.558 2.433 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(Cc2csc(CC)n2)CC1 1740985746 KWQUTBJQERCGBE-UHFFFAOYSA-N 452.650 2.343 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1740990315 QKYJCIGAPRKNIH-UHFFFAOYSA-N 464.592 2.179 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(Cl)cc2)nnc1N1CCC(NC(C)=O)CC1 1740994790 XIFMLRXFQFGWBL-UHFFFAOYSA-N 482.006 2.216 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(C)cc1C)[C@@H]1CCS(=O)(=O)C1 1748804579 IVOWWWCCPPQPBP-QPPBQGQZSA-N 472.611 2.222 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCN1CCCC(C)(C)C1)[C@H]1CCS(=O)(=O)C1 1748815137 NRLQZYKSWZQVFM-PMACEKPBSA-N 463.648 2.268 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CC1(CCOC)CCCC1)[C@H]1CCS(=O)(=O)C1 1748819064 JURYILHTYWANBA-NRFANRHFSA-N 471.627 2.488 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CC1(CCOC)CCCC1)[C@@H]1CCS(=O)(=O)C1 1748819065 JURYILHTYWANBA-OAQYLSRUSA-N 471.627 2.488 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@](C)(O)CC)CC1 1749020408 RXQQVYKECDRYHP-HHJKRLRDSA-N 488.633 2.176 30 10 JEEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1749083310 NKHMAHUKZQULBA-MRXNPFEDSA-N 463.384 2.473 30 10 JEEE C=C(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1749196176 FGDXUJRDXJILHH-UHFFFAOYSA-N 460.535 2.224 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)c2ncc(C)s2)CC1 1749303706 NMPFVRMXHUXQCW-WBVHZDCISA-N 466.633 2.336 30 10 JEEE COCC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1749606013 GJRMBGHWXGFURF-SQJMNOBHSA-N 466.586 2.347 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1749676172 HHHVRXKHGANCMP-IBGZPJMESA-N 469.590 2.259 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC(C#N)CC1 1749721316 GZGNBGOYUCXHIR-UHFFFAOYSA-N 456.572 2.488 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1749723884 CBXMADBCKDMIKI-IBGZPJMESA-N 472.571 2.378 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(CS(C)(=O)=O)cc1 1760110639 FZZNTGWVUHMDBN-OAHLLOKOSA-N 455.540 2.057 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1CC1(OCCOC)CCOCC1 1760116831 KMHJYAUTZTXFGF-NQIIRXRSSA-N 456.543 2.461 30 10 JEEE C#CCCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCN(CC(=O)NCC)CC1 1760130340 IBJUKPZEPWYUNM-UHFFFAOYSA-N 460.586 2.397 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(OC)cc2OC)n1CC1CCN(C(C)=O)CC1 1760245479 GCABLOUNGSEBIE-UHFFFAOYSA-N 455.559 2.307 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCC(C)(C)COC 1760295060 MRBWIFZVNUFCCM-PGRDOPGGSA-N 467.636 2.056 30 10 JEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cc(C)nc(C(C)C)n2)CC1 1760433518 TVBLOANCLYKQLQ-SFHVURJKSA-N 476.651 2.403 30 10 JEEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCN2[C@@H](C)CC[C@H]2C)CC1 1760440265 FSDXSEWLEBAOIX-QHAWAJNXSA-N 464.680 2.141 30 10 JEEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1csc(C)n1 1760450512 MOINYHOEVLKKIR-MOPGFXCFSA-N 496.659 2.310 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CCc2nnc(C)s2)C1 1760550423 YDEFJEQKZYSBSO-HNNXBMFYSA-N 459.601 2.454 30 10 JEEE CC1(C)COCCN1CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@](F)(C#N)C1 1761566768 APJDSTKRQDQSBG-HSZRJFAPSA-N 453.522 2.282 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@@H](OC)C(C)C 1762292654 AFESFHBKAYCNOR-YLJYHZDGSA-N 483.621 2.244 30 10 JEEE Cn1c(=O)cc(N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)n(Cc2cc(F)ccc2C#N)c1=O 1857522818 LGVRWJBHPVAOLK-GOSISDBHSA-N 457.506 2.100 30 10 JEEE C#CCOc1cccnc1NC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 1858862250 BFQNPSVZISVOSQ-UHFFFAOYSA-N 450.904 2.412 30 10 JEEE N#Cc1cccc(C(=O)Nc2nc(N3CCc4ccccc4C3)nn2[C@@H]2CCS(=O)(=O)C2)c1 1870071682 YARCPALBOZCJGI-HXUWFJFHSA-N 462.535 2.324 30 10 JEEE N#Cc1nnn(Cc2cccc3ccccc23)c1NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1870111073 WWEHQYXEBFFDKE-UHFFFAOYSA-N 481.428 2.494 30 10 JEEE C=CCOc1cn(CCN2CCOCC2)c(CNc2ccc(N3CCN(C)CC3)cc2)cc1=O 1870808833 CHKNOFXLTHHKQH-UHFFFAOYSA-N 467.614 2.109 30 10 JEEE COc1ccc(NC(=O)CSc2nnc(C)c(=O)n2/N=C/c2cnc(N(C)C)nc2)cc1Cl 1873495522 UYAISAVSGZSUOW-YSURURNPSA-N 488.961 2.078 30 10 JEEE COc1cc(/C=N/n2c(SCCO)nnc2[C@H]2CC(=O)N(C(C)(C)C)C2)cc(OC)c1O 1874280043 IQPKHXSFWPYFCY-HYLGSWLWSA-N 463.560 2.082 30 10 JEEE Cc1c(C(=O)N2CCC(OCC#CCN3CCN(C(C)C)CC3)CC2)nnn1-c1ccccc1F 1889619452 QFHRAXGWRMPJJP-UHFFFAOYSA-N 482.604 2.365 30 10 JEEE CC(C)N1C(=O)CS[C@H](C(=O)N2CCC(C(=O)N3CCOCC3)CC2)[C@H]1c1ccc(C#N)cc1 1890729978 HIWJTBSHKNVRST-PKTZIBPZSA-N 484.622 2.049 30 10 JEEE CN(C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCN(C(=O)OCc2ccccc2)C1 2247827753 JLJVJSKUWMEBHB-QGZVFWFLSA-N 454.336 2.192 30 10 JEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCCONC(=O)OC(C)(C)C 2247953950 WFCFJTADSHVTOU-UHFFFAOYSA-N 462.399 2.090 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NC[C@@H]2C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C2)C1 2255159094 KOGQBTYKARKNEX-LEHQLXPHSA-N 451.564 2.074 30 10 JEEE CSC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)c(C)n1 2256600728 LCLMTBYPQHAZCE-CQSZACIVSA-N 452.386 2.279 30 10 JEEE Cc1cnc(C(=O)N=[S@@](C)(=O)CCNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2267118566 LFBYZHUAXWMMOS-YTTGMZPUSA-N 467.397 2.452 30 10 JEEE Cc1csc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2O)c1B1OC(C)(C)C(C)(C)O1 2267155010 NSXKXOJRMYAFGW-CABCVRRESA-N 466.409 2.456 30 10 JEEE Cn1nc(C(=O)NC[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2267179539 RIGXAQJLWGLZAA-JOCQHMNTSA-N 468.791 2.406 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2267363533 KMENLUYXSPURFK-CXAGYDPISA-N 470.372 2.316 30 10 JEEE C=C(CS(=O)(=O)NC[C@@H](C)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2267471407 SPIFNOJBHLVHCG-VFNWGFHPSA-N 474.429 2.101 30 10 JEEE CC(C)(C)OC(=O)NC1(CNC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)CCOCC1 2267481224 LTDCCWVKDODFMS-UHFFFAOYSA-N 467.397 2.246 30 10 JEEE CO[C@H]1C[C@H](CNC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)N(C(=O)OC(C)(C)C)C1 2267489420 VWIPJRWSAZYAQC-KGLIPLIRSA-N 467.397 2.197 30 10 JEEE C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)ccc1F 2268634755 KDGQHVRXKMVBFZ-GUYCJALGSA-N 452.332 2.015 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@](CO)(C(=O)NCc2sccc2B2OC(C)(C)C(C)(C)O2)C1 2268653724 QQLLIOLZFSXLKX-QFIPXVFZSA-N 466.409 2.283 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCO[C@H](C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C1 2268716821 VRJLGDNJZFLNHE-KBPBESRZSA-N 467.397 2.131 30 10 JEEE C=C(CN(C)C(=O)[C@@H]1[C@@H](OC)[C@@H](OC)CN1C(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2268798652 IXZOALHPVMXLEC-ULQDDVLXSA-N 454.373 2.282 30 10 JEEE CN(CC(C)(C)N(C)C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2273280089 FKGHXGPRVVYHMY-UHFFFAOYSA-N 450.389 2.437 30 10 JEEE CCN(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)c(C)nn1C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2281981737 IUTOJQFJPSLTOL-INIZCTEOSA-N 462.400 2.499 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@]2(NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)CCC[C@@]2(F)C1 2281983185 SKVWADJNWZLUNL-YADHBBJMSA-N 464.347 2.320 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H]2COC[C@@H](C1)N2C(=O)c1ccoc1B1OC(C)(C)C(C)(C)O1 2282198395 AMNLANRMJSQMDK-JKSUJKDBSA-N 462.352 2.429 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn1C1CC1 2282547894 SURXXMJPJLHYHZ-IAGOWNOFSA-N 461.368 2.144 30 10 JEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)C1NC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282552962 UGAMCKUAFYDDCM-GJZGRUSLSA-N 462.400 2.341 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](CO)C1 2282592927 JYIUAGQADJOFME-CABCVRRESA-N 481.424 2.098 30 10 JEEE CCO[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)[C@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn1C 2282681477 XAWVLTMZAFLSLV-KBAYOESNSA-N 463.384 2.125 30 10 JEEE Cc1ccc(C(=O)N2C[C@H](O)C[C@H]2CNC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2282688045 OKWYNRQGNOQBCJ-ZWKOTPCHSA-N 460.380 2.394 30 10 JEEE CO[C@@H]1C[C@H](C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)CN(C(=O)OC(C)(C)C)C1 2284055993 CHCXVQQDYZMAHM-LSDHHAIUSA-N 481.424 2.331 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 2285207103 UBCFWQAHZZMUPA-QGZVFWFLSA-N 461.368 2.055 30 10 JEEE COc1ccc(C(O)=C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cc(OC)ccc2OC)cc1 2296098659 GLVZAEUAAWXBJW-HSZRJFAPSA-N 482.533 2.466 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NS(=O)(=O)Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2359276987 DLDMVALYXTVRLL-YTQUADARSA-N 478.420 2.413 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CSCCN(C(=O)OC(C)(C)C)C2)n1C 2362488303 UWAOVRVZZLBIFC-HNNXBMFYSA-N 480.440 2.110 30 10 JEEE COc1cccc(CN/C(=N\c2ccc(C(=O)O)cc2)N2CCN(CC(=O)NC(C)C)CC2)c1 21047009 OWRRWGUCRGVUEG-UHFFFAOYSA-N 467.570 2.313 30 10 JEEE COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccccc2)cc1OC 102539492 QMAJNQRCCQSWPM-RKKARLDVSA-N 452.507 2.458 30 10 JEEE Nn1c(N/N=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)nnc1SCC(=O)Nc1ccc(F)cc1F 253572407 QDEBMVVOXZLWAP-QPSGOUHRSA-N 493.412 2.263 30 10 JEEE O=C(CCSc1nnc(N/N=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)[nH]1)Nc1nncs1 253574549 STIJEAGOIGUHHW-GIDUJCDVSA-N 464.449 2.040 30 10 JEEE C=CCc1cc([N+](=O)[O-])ccc1OCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 495466967 ZPXCKVJPGJSOOZ-UHFFFAOYSA-N 461.496 2.362 30 10 JEEE Cc1cc(C)c(C#N)c(SC2=C(N3CCN(CCO)CC3)C(=O)N(c3cccc(F)c3)C2=O)n1 526693992 FKUQKJPMSDJNGU-UHFFFAOYSA-N 481.553 2.196 30 10 JEEE COC(=O)c1ccc(N2C(=O)C(Sc3nc(C)cc(C)c3C#N)=C(N(C)CCO)C2=O)cc1 526695545 RGJAOWPXQUIVRL-UHFFFAOYSA-N 466.519 2.158 30 10 JEEE C=C(C)CN(CCCN1CCOCC1)S(=O)(=O)c1cc(N2CCCC2=O)ccc1OC 586150355 BPRQIDPMNIISNQ-UHFFFAOYSA-N 451.589 2.111 30 10 JEEE CCC(CC)C(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CCCC(=O)OC 729669621 AGYNMSLYRFEMMU-UHFFFAOYSA-N 466.563 2.019 30 10 JEEE CC(C)C=NC(=N/C(=C/C=C\[C@@H](O)C[C@@H](O)CC(=O)O)c1ccc(F)cc1)N(C)S(C)(=O)=O 1082551720 CVJNMHLWDLKSEL-PYMFDDRISA-N 483.562 2.284 30 10 JEEE C=CCn1c(SC[C@@H](O)CCC)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 1164621996 NUBGWJJXFIHGCV-KRWDZBQOSA-N 452.602 2.405 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1CC1(N2CCCC2)CCOCC1 1286423873 XVHSVPUXNBYVIP-RUZDIDTESA-N 455.603 2.038 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)NC1CCCCC1 1286457579 APRNGUBFWWKOBL-LJQANCHMSA-N 487.601 2.408 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2Cc2cc(OC)c(OC)c(OC)c2)CC1 1286481595 HAHDKOHXDKIMRE-UHFFFAOYSA-N 462.554 2.093 30 10 JEEE C#CCSCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1286500936 HRHJWUZZGDQNMW-UHFFFAOYSA-N 493.655 2.189 30 10 JEEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1286510852 CFAWRFRYXPGJNF-DEOSSOPVSA-N 466.611 2.396 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1286549642 YINHBLSWYNBFII-CUXKYVRBSA-N 483.617 2.452 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccn2C)nnc1N1CCC(C(=O)NCCOC)CC1 1286561483 NTMCUBBOPZHIIW-CTNGQTDRSA-N 456.591 2.244 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC(N(C)C(=O)OCC)CC1 1286561901 DBWSVTBKJMTGEE-PGRDOPGGSA-N 474.606 2.439 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCOc1cccc(Cl)c1 1286592533 KENRBEXZDFQXSM-SFHVURJKSA-N 469.995 2.356 30 10 JEEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C)=C(Br)C1 1286600030 HRBCIPKNLOJBCZ-AWEZNQCLSA-N 462.414 2.360 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H](c2nc(C)no2)C1 1286778884 BLSRJOWKTYSFHX-ZDUSSCGKSA-N 475.351 2.413 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1286784241 BNBCTPNUHQAKQA-UHFFFAOYSA-N 460.542 2.046 30 10 JEEE C=CCNC(=O)Cn1c(N2CCN(c3cccc(C)c3C)CC2)nnc1[C@]1(OCC)CCOC1 1286793459 FFMJUFBTHKFUMV-VWLOTQADSA-N 468.602 2.176 30 10 JEEE CC[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC(=O)N(CCOC)C2)C1 1293498695 GDUFNAZFBVIAMC-UYAOXDASSA-N 452.559 2.460 30 10 JEEE COc1ccc(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)C[C@H](C)C#N)cc1Br 1300141750 BWSLHPPWGCIDRG-KGLIPLIRSA-N 499.435 2.498 30 10 JEEE COc1ccc(OCc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H]2CCCS(=O)(=O)C2)cc1 1300280593 GGFYFYVABHFKEQ-IERDGZPVSA-N 463.535 2.132 30 10 JEEE C#CCN(c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@@H]1CCCOC1)[C@@H]1CCS(=O)(=O)C1 1300489602 PZGSMVWSQFYNCH-AZUAARDMSA-N 488.610 2.406 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@](C)(O)c1ccco1)[C@@H]1CCS(=O)(=O)C1 1300504164 KIKNDUIFLBJYBS-HXOBKFHXSA-N 488.541 2.124 30 10 JEEE C#CCN(c1nnc(CSc2ccc(Cl)cc2)n1CCCNC(C)=O)[C@H]1CCS(=O)(=O)C1 1300504791 SGGKLHMACLRNLY-SFHVURJKSA-N 496.058 2.377 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(F)(F)Br 1300527179 DAGFFWHNCQNBFS-UHFFFAOYSA-N 461.270 2.253 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cccc(CN2CCO[C@@H](C)C2)c1 1300553705 PQPQWLCGPDRGPV-TUSQITKMSA-N 477.609 2.344 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCC[C@@H](O)C1 1300561977 WSDBCKNCCIUTFS-PZJWPPBQSA-N 469.611 2.209 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCOC2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1300884062 GTZOJIOPMWBDTE-ZJOUEHCJSA-N 481.663 2.404 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccoc1C 1300885004 NNXWFIZSFAJJSC-AABGKKOBSA-N 479.603 2.130 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 1301587081 QUGUKWORKINXBB-IBGZPJMESA-N 472.615 2.390 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCN(c2cccc(OC)c2)CC1 1301587777 TWAZCYPTXUMCLP-UHFFFAOYSA-N 482.610 2.200 30 10 JEEE CC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(N(C)C)CCOCC2)C1 1301817671 GNOPZPVGPSRKER-NRFANRHFSA-N 451.575 2.032 30 10 JEEE C#CCOc1cc(F)ccc1NC(=O)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 1310371177 GEYUNMYHIREFEL-UHFFFAOYSA-N 457.487 2.252 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2Br)n1CCNS(=O)(=O)Cc1ccon1 1358883297 RUHJNOAVMBFENX-CQSZACIVSA-N 493.387 2.273 30 10 JEEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1358930367 UFSQLVAOUQSUMS-AXHZCLLHSA-N 475.590 2.384 30 10 JEEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1CC(C)(C)SC)[C@@H]1CCS(=O)(=O)C1 1358965066 NFCWBPYDFQSQDG-GOSISDBHSA-N 472.640 2.285 30 10 JEEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CCCN1CCCO[C@H](C)C1 1358985740 GMWFUHYMZPOXIU-RDGATRHJSA-N 457.619 2.283 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@H]2NC(=O)CC2(C)C)CC1 1359042151 UMSGGVLNZAWBTN-LJQANCHMSA-N 468.989 2.479 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2(SC)CCOCC2)CC1 1359046932 LETRDFCGUPOHJE-UHFFFAOYSA-N 485.658 2.018 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCS(=O)(=O)C1 1359071596 WDHSRNCZCHKUCW-PMAPCBKXSA-N 493.630 2.013 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@@H]2CCOC2)CC1 1359083054 AZADEXXIMQVOLO-HZPDHXFCSA-N 459.410 2.342 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CCOC2)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1359150565 BBUYIWPCUGUYSK-QGZVFWFLSA-N 451.980 2.354 30 10 JEEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1359203783 VTCMKYLSBHNEAK-UXHICEINSA-N 451.637 2.085 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@]1(C)CN(C)C1=O 1359255956 PKDOOJGXTASTQY-JWQCQUIFSA-N 464.570 2.473 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@H](C)O[C@H](C)C1 1359327776 KKCOHWVDHRONPR-IYBDPMFKSA-N 480.587 2.185 30 10 JEEE COC(=O)[C@@H](NCC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)c1ccc(F)c(C)c1 1473356769 IFEPKWVEEIUHFJ-GGAORHGYSA-N 456.493 2.486 30 10 JEEE CN(C)C(=O)CC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCOCC2)CC1 1503357141 FRNXGEKGXPTUSS-UHFFFAOYSA-N 465.602 2.234 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1507519255 GLVGRWAUIIAXRH-HUUCEWRRSA-N 466.405 2.447 30 10 JEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CCCC(=O)NC1CC1)[C@H]1CCS(=O)(=O)C1 1507629139 ZUEDPWRSLUABJJ-IBGZPJMESA-N 476.002 2.284 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1ccc([C@H](C)O)cc1)[C@H]1CCS(=O)(=O)C1 1507631400 OZSQLGYWFUCIPV-RXVVDRJESA-N 465.579 2.377 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1ccc(OC)c(F)c1)[C@H]1CCS(=O)(=O)C1 1507634716 LRKVPYQOAFFSBX-IBGZPJMESA-N 469.542 2.087 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCn1cc(Cl)cn1)[C@H]1CCS(=O)(=O)C1 1507637730 MLHGLULZKHTSRD-IPMKNSEASA-N 495.049 2.374 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CCN2CCOC[C@H]2C)CC1 1507720794 MVAFOGHOYUGWSJ-LJQANCHMSA-N 487.446 2.492 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCC(F)(F)C2)CC1 1507733609 FVLVJDTUUWVVOZ-MRXNPFEDSA-N 471.512 2.327 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc4ccccc4o3)n2CC(=O)NCC(F)(F)F)CC1 1507734838 ZSIXKDRKRZEFCI-UHFFFAOYSA-N 488.470 2.336 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccccc2OC)nnc1N1CCC(NS(C)(=O)=O)CC1 1507808627 YSQNPYQNDIGKED-AUSIDOKSSA-N 489.642 2.377 30 10 JEEE C#CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1539044799 IJSNYUJXNKLTCL-IBGZPJMESA-N 497.987 2.138 30 10 JEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1Cc1snnc1C)[C@H]1CCS(=O)(=O)C1 1539206645 TUAHZDMPKDBLFS-INIZCTEOSA-N 462.988 2.433 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@]1(O)CCOC1)[C@@H]1CCS(=O)(=O)C1 1539211322 HPMHPNKXJNHSHK-FOIQADDNSA-N 485.393 2.030 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2C[C@@](C)(O)CC)CC1 1539470786 ZMHQCLSFKHJDGF-VWLOTQADSA-N 461.570 2.462 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CCCC2CCOCC2)CC1 1539484161 FCHXNINVKDWVGC-UHFFFAOYSA-N 450.587 2.437 30 10 JEEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1539524470 FUTVBBVIEWUBDM-JOCHJYFZSA-N 495.678 2.349 30 10 JEEE C=C(Br)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCNC(=O)C1 1539595168 BKGRJDMZQQMHJJ-UHFFFAOYSA-N 469.384 2.237 30 10 JEEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1539966421 JFRVGFJLPFMEEQ-SFHVURJKSA-N 452.625 2.120 30 10 JEEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2ccccc2Br)C1 1540853727 LGPRLTVCEIYGTK-BBRMVZONSA-N 470.393 2.415 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC(CNC(C)=O)CC1 1540866238 HTONYFZESPWNSV-UHFFFAOYSA-N 460.966 2.262 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCO[C@H](c2ccco2)C1 1540905596 XMSOTVLCOZFFMJ-SFHVURJKSA-N 463.585 2.406 30 10 JEEE CC(=O)N1CCN([C@@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCCOC(F)F)C[C@H]2C)CC1 1541000912 HZEUPEYEFDZUDC-DYESRHJHSA-N 487.555 2.435 30 10 JEEE CCc1cnc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@H](C(N)=O)C2)s1 1546352319 CFGAIWGQYGGXHV-INIZCTEOSA-N 451.556 2.498 30 10 JEEE C#CC[C@@H](COC)NC(=O)c1cccc(NC(=O)C[C@@H]2SC(N3CCCCC3)=NC2=O)c1 1586385350 DRIKRBYRWMSXLI-OALUTQOASA-N 456.568 2.267 30 10 JEEE C#CCN(c1nnc(-c2ccc3ccccc3n2)n1C[C@@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1588045915 TWDWRGHGNLFREB-JPYJTQIMSA-N 453.568 2.281 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1ccnc(SC)c1)[C@H]1CCS(=O)(=O)C1 1588049945 NZQZPJNQHUAJGU-SFHVURJKSA-N 454.581 2.132 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@H](C)Oc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1588064449 IGSYHMWUHZLUCP-PZJWPPBQSA-N 465.579 2.358 30 10 JEEE C#CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC(=C)C)[C@@H]1CCS(=O)(=O)C1 1588074748 QUEYRZGMCMAYPU-FGTMMUONSA-N 463.604 2.252 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccccn2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1588620256 QOHVXTDWNJPCLW-SFHVURJKSA-N 452.481 2.079 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@@H]2CCOC[C@H]2OC)CC1 1588961873 POPDMXGRYYTJRS-LADGPHEKSA-N 495.624 2.491 30 10 JEEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1593735287 BNCGIHAQDLGEHO-UHFFFAOYSA-N 498.506 2.493 30 10 JEEE C=CCCCn1c(COc2ccc(OC)cc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1594767634 WAOOCTDRVHBRLV-UHFFFAOYSA-N 470.574 2.406 30 10 JEEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1594783634 GSIILWUNQONFET-UHFFFAOYSA-N 472.512 2.002 30 10 JEEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1([S@](C)=O)CCC1 1595290550 GYGUDHNTCWRRSM-XIFFEERXSA-N 470.599 2.132 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@](O)(c1ccccc1)C(F)(F)F 1595296597 GSLGRFVXBUYCBO-OXQOHEQNSA-N 453.465 2.318 30 10 JEEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 1595434533 DZEZVFKKXLXFMN-KRWDZBQOSA-N 478.644 2.286 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)C[C@@H](C)C#N)n1CC1(c2ccc(F)cc2F)CC1 1596781339 AQMJKLMEVWAQMN-KBPBESRZSA-N 452.531 2.494 30 10 JEEE CC(C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(Nc2cccnn2)CC1 1598122855 CZGUVXAVTFJILQ-UHFFFAOYSA-N 459.558 2.460 30 10 JEEE CN(C)C(=O)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1617592906 DMRSBOUDKNLYKL-UHFFFAOYSA-N 499.579 2.190 30 10 JEEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)c1cc(C(=O)OCC)n(C)c1 1664189253 RAQOHKZKGBKAOK-UHFFFAOYSA-N 453.561 2.225 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CCCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1689981847 CGAVJXNYBWOMBR-APWZRJJASA-N 478.537 2.288 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1OCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1689982581 QHRSSYACBINGMH-RDJZCZTQSA-N 496.431 2.478 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2CCN2CCOC[C@@H]2C)CC1 1690119671 NYAVLIZHMWWPRJ-NRFANRHFSA-N 482.629 2.218 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2Cc2c(Cl)c(C(F)(F)F)nn2C)CC1 1690129042 NKFZBZYTELNWEN-UHFFFAOYSA-N 478.910 2.473 30 10 JEEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2CCCN2C[C@H](C)O[C@@H](C)C2)CC1 1690130824 NIIFZMXRJHZZQO-GOTSBHOMSA-N 450.631 2.318 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(NC(=O)CCC)CC1 1690236618 PBUASAGDGRKILP-WIYYLYMNSA-N 458.607 2.380 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCN(c2ccccc2F)C1 1690622326 MYFLXYRRVAJAQT-OALUTQOASA-N 477.606 2.485 30 10 JEEE C=CCn1c(Cc2ccncc2)nnc1N1C[C@@H](C(=O)OC)[C@H](CNC(=O)OC(C)(C)C)C1 1690646293 OTVMEWJPCWUOLD-QZTJIDSGSA-N 456.547 2.200 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1690659601 XSOBFYCNENBSBF-UHFFFAOYSA-N 496.616 2.033 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1690677133 OFROLIUMEFTOFH-UHFFFAOYSA-N 487.605 2.302 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CCC[C@@H](C(=O)OC)C1 1690729224 JKEIFYIIVMUSOD-GOSISDBHSA-N 462.572 2.156 30 10 JEEE C[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1)N(C)C(=O)OC(C)(C)C 1692719582 BPRANJNYPDSZGU-DOTOQJQBSA-N 466.608 2.176 30 10 JEEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[S@@](=O)C(C)(C)C)CC1 1698096234 DCCRYLOKTRYBCA-MGBGTMOVSA-N 474.631 2.044 30 10 JEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(CC2CCOCC2)CC1 1705527307 UTTNPNLQCRRRRO-UHFFFAOYSA-N 471.627 2.311 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(Br)cc1 1705533782 ZRQMSDCDJJFIAD-GOSISDBHSA-N 496.431 2.423 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)OC(C)(C)C)CC1 1705646105 RCZJBTFZKZQRQY-UHFFFAOYSA-N 477.569 2.307 30 10 JEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(Cc2ccccc2OC)CC1 1705664376 NFVVFVLUUHWQKO-UHFFFAOYSA-N 468.627 2.098 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2csc(N3CCOCC3)n2)n1CCCC(=O)N(C)C 1705672368 VGWGQNHAGMRFOP-JOCHJYFZSA-N 457.604 2.099 30 10 JEEE C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 1705720182 BKZRAIWTJMYJCN-UHFFFAOYSA-N 460.542 2.262 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2cccc(C(N)=O)c2)C1 1705929777 XMPMJGFSSSORPH-GOSISDBHSA-N 466.567 2.198 30 10 JEEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1705947944 DCXJBTSAALRACK-LJQANCHMSA-N 458.636 2.445 30 10 JEEE Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H](C(C)C)N2CCOCC2)cc1 1707550642 DEQWZXUBZFXRKY-YADHBBJMSA-N 454.575 2.251 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cc2c(cc1OC(F)F)OCO2 1708756745 GVOLJTMJFPIERI-HNNXBMFYSA-N 492.483 2.304 30 10 JEEE CCCNC(=O)CCn1c(COc2ccc(Br)cc2)nnc1N1CCO[C@@H](C#N)C1 1709835757 CNMYWEXOOARYTE-KRWDZBQOSA-N 477.363 2.265 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC(=O)NCc1ccco1 1722290684 AWCBBXGMKXTAOM-QGZVFWFLSA-N 473.537 2.432 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CCN(CC)C(C)C)c1 1722308444 AAXAJUHGSHYRDK-FQEVSTJZSA-N 451.575 2.016 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2CCCO[C@@H]2CCOC2)c1 1722309204 KWWWKLGKHRLPMA-RBBKRZOGSA-N 467.570 2.424 30 10 JEEE C#CCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1722328133 MARZJOZCJISHSB-DEOSSOPVSA-N 461.614 2.461 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(F)cn2)CC1 1722450242 ARLFXCSETUOGJV-UHFFFAOYSA-N 473.512 2.277 30 10 JEEE C=C(Cn1c(C(=O)NC(C)C)nnc1N1CCCN(CC(=O)N2CCCC2)CC1)c1ccccc1 1722537686 CVJCPSPRYNJGMG-UHFFFAOYSA-N 479.629 2.264 30 10 JEEE C=CCC(C)(C)Cn1c(N2CCC([C@H]3NC(=O)N(C)C3=O)CC2)nnc1[C@@]1(OCC)CCOC1 1722593511 UEXOBINKRCMVHW-HOYKHHGWSA-N 474.606 2.299 30 10 JEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2ccc(F)c(F)c2)C1 1722618949 XNUPWNABEAHRBQ-PMACEKPBSA-N 497.568 2.433 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1722695774 PLUUOJKVXGGOSW-OAHLLOKOSA-N 495.950 2.417 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(=O)OCC)CC1 1722723714 CVVCHKPOCDKQNC-UHFFFAOYSA-N 467.979 2.478 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1722723868 HJIQZNRUXGAXDV-ROUUACIJSA-N 495.552 2.395 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N(C)Cc1nc(O)c2ccccc2n1 1722729674 TWYHKTOVSMGNSV-UHFFFAOYSA-N 479.566 2.150 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCc2c(F)ccc(F)c2C1 1722736867 LAVNDYPDPNOQLB-YWZLYKJASA-N 482.553 2.444 30 10 JEEE C=CCSCCn1c(COc2ccc(Br)cc2)nnc1N1CCNC(=O)C1 1722742816 IADACGYQGSQOAH-UHFFFAOYSA-N 452.378 2.475 30 10 JEEE CC(=O)N1CCN(CCn2c(COc3cc(C)ccc3C)nnc2N(C)C[C@@H](C)C#N)CC1 1722798298 ABALUTJUFCVKIO-IBGZPJMESA-N 453.591 2.234 30 10 JEEE C[C@H](C#N)CN(C)c1nnc(Cn2ccc3ccccc32)n1CCS(=O)(=O)N1CCSCC1 1722868694 DAHOTPZXIKOGCL-GOSISDBHSA-N 487.655 2.256 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCC(=O)N1CCOCC1 1723778118 CWEQEZCOLNVTGB-SFHVURJKSA-N 489.621 2.380 30 10 JEEE CCCNC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCOC[C@H]2C)C1 1728175229 CZUWFRKCPZFNFY-IFMALSPDSA-N 495.628 2.192 30 10 JEEE COCCN(CCC#N)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCc1n[nH]c(C)n1 1730762197 BCMIGMHENKGRHB-SFHVURJKSA-N 487.609 2.428 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(=O)NCCc1ccccc1 1740546721 JQOUVDJVOUPOPV-SFHVURJKSA-N 479.610 2.055 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1Cc1cccn(CC)c1=O)[C@H]1CCS(=O)(=O)C1 1740618758 BJLFUAZLSQGMII-FQEVSTJZSA-N 465.579 2.110 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCCOCC(F)F)[C@H]1CCS(=O)(=O)C1 1740621340 VEKGEFOYGOZOMB-HNNXBMFYSA-N 473.933 2.292 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1CC(F)(F)Br)[C@@H]1CCS(=O)(=O)C1 1740625807 QAHREWAJEUNYEI-CYBMUJFWSA-N 494.387 2.248 30 10 JEEE C=C(Br)Cn1c(Cc2ccccc2F)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1740745758 DPANOOAZOJNAQN-MRXNPFEDSA-N 477.338 2.389 30 10 JEEE C=CC[C@H](Cn1c(CN2CCCC2=O)nnc1N(C)CC(=O)N1CCOCC1)c1ccccc1 1740855628 NISMUULBSIWJEA-OAQYLSRUSA-N 466.586 2.055 30 10 JEEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1740943959 OXYXXMPMRJCTTA-UHFFFAOYSA-N 482.614 2.115 30 10 JEEE C=CCOc1ccc(Cn2c(-c3cnn(C)c3)nnc2N2CCC[C@@H](CNS(C)(=O)=O)C2)cc1 1740967114 XDURXAVHISLIEL-IBGZPJMESA-N 485.614 2.057 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccnc3)n2Cc2ccccc2S(=O)(=O)N(C)C)C1 1740976893 QDARTDYGBDFCNE-HXUWFJFHSA-N 468.583 2.420 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CCO[C@@H](Cn2cccn2)C1 1740989211 FFRRAESTFLDXDG-QGZVFWFLSA-N 476.990 2.301 30 10 JEEE CC(=O)N1CCN(CCn2c(COc3ccc(C#N)cc3)nnc2N(C)CCC2CC2)CC1 1741065903 FUFYLIVQNGVXTA-UHFFFAOYSA-N 451.575 2.129 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCC(F)(F)F)nc1 1741130984 CRUFQOBMBVWRIH-ZFWWWQNUSA-N 472.493 2.160 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2Cc2ccc(N3CCCCC3)nc2)CC1 1748979036 VSXADURMVVOIDP-NRFANRHFSA-N 467.618 2.191 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccc(COC(C)(C)C)c2)CC1 1748990844 MLKSNNTZIUNNKQ-OAQYLSRUSA-N 450.587 2.348 30 10 JEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCOc2cccc(C(F)(F)F)n2)CC1 1748994539 JWLUKPMKFQAEIW-UHFFFAOYSA-N 488.518 2.388 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2Cc2ccc(N(C)C)nc2)CC1 1749016687 KVBNVQLMGKMTMY-UHFFFAOYSA-N 463.611 2.406 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCC(CCC(N)=O)CC2)nnc1[C@]1(OCC)CCOC1 1749139174 BWONEZMQTACNIQ-PTLVVNQVSA-N 461.607 2.393 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CC=CCC1 1749600097 QATLHHJZDPHLOJ-HXUWFJFHSA-N 476.622 2.487 30 10 JEEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(c2nc(CC)ns2)CC1 1749609183 GIHSBAINYDSRSV-UHFFFAOYSA-N 459.601 2.275 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](CC)c2ccccc2)nnc1N1CCC(S(C)(=O)=O)CC1 1749725844 VNSBDTXVHCKGRB-FQEVSTJZSA-N 480.656 2.434 30 10 JEEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccc(Cl)nc2C1 1749755117 FBSOLRNNNFZCQC-KRWDZBQOSA-N 499.062 2.141 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2CC[S@@](=O)CC)c1 1760127868 PBBBPWWCZHNQDH-YTTGMZPUSA-N 450.568 2.089 30 10 JEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc2c(c1)OCCO2 1760174540 GSUZVNFNWNFRRQ-GOSISDBHSA-N 469.542 2.475 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CCc1csc(C)n1)[C@@H]1CCS(=O)(=O)C1 1760191671 LMZAFRIRGVXTDC-HXUWFJFHSA-N 496.618 2.363 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CCc1cccc(C(=O)N(C)C)c1 1760208422 CMPJLTMWMGPVON-UHFFFAOYSA-N 469.549 2.333 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCCC(=O)N(CC)CC)CC1 1760258891 UDFSBCCQRSYHGH-UHFFFAOYSA-N 452.559 2.078 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(Br)cc3)n2C[C@]2(OC)CCOC2)CC1 1760261754 WIOFDJIUJSOISX-JOCHJYFZSA-N 490.402 2.180 30 10 JEEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1760284899 UVJGUEVTWVJVKS-JOCHJYFZSA-N 453.660 2.235 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1760294940 JXDGBVIDCKFGHC-QPXQOZNCSA-N 463.648 2.060 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC[C@H](NC(=O)CC)C2)nnc1[C@]1(OCC)CCOC1 1760328179 RUTOTEWEYZIDIW-HGBASVHRSA-N 461.607 2.406 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F 1760358556 WPAXQLBKBPXJHU-AWEZNQCLSA-N 476.525 2.162 30 10 JEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CN(Cc3ccccc3)CCCO2)CC1 1760382388 PEDMBKYORLEPFT-IFMALSPDSA-N 488.658 2.336 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](COCC)C1 1760412859 SXDVQMNEUFAOSS-OALUTQOASA-N 469.652 2.466 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21)C(C)C 1760490034 ONZDCDDPCUXTQF-PLACYPQZSA-N 469.634 2.175 30 10 JEEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 1760527080 MIAZCXONZJSZKY-MRXNPFEDSA-N 487.630 2.035 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1760527847 KIYAOWGBLWDXFV-VWLOTQADSA-N 479.585 2.207 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3nn(C(C)C)c(=O)c4ccccc34)n2CCC(=O)N(C)C)C1 1760544768 GXIZFSODHQATAT-SFHVURJKSA-N 479.585 2.496 30 10 JEEE CCC(CC)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](C(N)=O)C1)N1CCOCC1 1762158304 IAGSGLHVGNAZTQ-VXKWHMMOSA-N 465.602 2.265 30 10 JEEE CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1CC1([S@](C)=O)CCC1 1766646910 CNMKTYIFLOPANU-JTBPQFFMSA-N 463.629 2.377 30 10 JEEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1768245156 HBXSVZUGPGFNPY-UHFFFAOYSA-N 491.639 2.189 30 10 JEEE CN(C)C(=O)CCn1c(Cc2ccncc2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1768450606 FBAHZDPJFUFXSL-UHFFFAOYSA-N 472.597 2.326 30 10 JEEE Cn1cc(N2CCN(c3nnc(COc4ccc(C#N)cc4)n3CC[S@@](=O)C(C)(C)C)CC2)cn1 1769017193 CFAMKUZETMCXIS-PGUFJCEWSA-N 496.641 2.336 30 10 JEEE COCCN(C)CCn1c(-c2ccccc2OC)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1771079488 CWJVPBGJTBUKBZ-UHFFFAOYSA-N 476.585 2.125 30 10 JEEE CCOc1ccc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2CCNC(C)=O)cc1OC 1862565474 YHMLAFGXTOXZEE-NRFANRHFSA-N 453.495 2.391 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCO)[C@@H]2c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 1862697861 UGQCIZPSNAXZHB-HXUWFJFHSA-N 470.434 2.335 30 10 JEEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(O)c(O)c2)c1 1862700066 AEAZXZLNZMNEEB-JOCHJYFZSA-N 468.506 2.407 30 10 JEEE C=CCOc1ccccc1[C@H]1C(C(=O)NCCCNC=O)=C(N)Oc2c1c(CCC)nn2CC 1864321529 RVHAKCGHNBMBQF-HXUWFJFHSA-N 467.570 2.367 30 10 JEEE C=CCOc1ccccc1[C@@H]1C(C(=O)NCCCNC=O)=C(N)Oc2c1c(CC)nn2CCC 1864326460 CZDJEVBQEFUYMS-FQEVSTJZSA-N 467.570 2.367 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)[C@H](C)Oc3cccc4c3C(=O)N(CCN(C)C)C4=O)cc21 1865812387 CMGASCOINOCFGQ-INIZCTEOSA-N 477.517 2.406 30 10 JEEE CCC[C@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1869930250 VSCMUOFJIFHYAH-IBGZPJMESA-N 471.539 2.151 30 10 JEEE N#Cc1nnn(-c2ccc3c(c2)OCO3)c1NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccccn1)C2=O 1870141775 JWBYWYAQMCCKHQ-UHFFFAOYSA-N 493.439 2.311 30 10 JEEE CCCOc1c(/C=N/Nc2cnn([C@H]3CCS(=O)(=O)C3)c(=O)c2Cl)cccc1OC 1873529020 MCZKQBVSMJMLHG-MNUWJXFPSA-N 454.936 2.500 30 10 JEEE COc1ccc(N2C[C@H](c3nnc(SCCO)n3/N=C/c3ccc(O)c(OC)c3)CC2=O)cc1 1874197999 JUKOUIALQFUFFA-ANDSAHIGSA-N 483.550 2.488 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)CSc2nnc(CCOc3ccccc3)n2N)nc1C 1874547128 SSFHFXAPIXTSLA-UHFFFAOYSA-N 474.568 2.452 30 10 JEEE CN1CCN(CC#CCOC2CCN(C(=O)COc3cccc4c3OC(C)(C)C4)CC2)CC1 1889484893 TZJAOESFTMNZIH-UHFFFAOYSA-N 455.599 2.037 30 10 JEEE CC(C)(C)OC(=O)N1CC(O)(CN(Cc2ccccc2)S(=O)(=O)c2ccc(C#N)cc2N)C1 2106651203 MCPRBUXJNNELOL-UHFFFAOYSA-N 472.567 2.313 30 10 JEEE CC(C)(C)OC(=O)NCC1CCN(CC(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)CC1 2124680511 HAAQGTCZWPGHME-QFIPXVFZSA-N 455.603 2.460 30 10 JEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C(=O)N2CC(CB3OC(C)(C)C(C)(C)O3)C2)[C@H]1OC 2140536446 VIFGLRMSSJHVLT-IKGGRYGDSA-N 454.373 2.186 30 10 JEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](C(=O)Nc2ccc(Br)c(C#N)c2)C1 2197779343 UPYCUIVIWRYTQQ-AWEZNQCLSA-N 458.334 2.293 30 10 JEEE CC1(NC(=O)OC(C)(C)C)CN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2255794012 GIJOVSKVVMKFGQ-UHFFFAOYSA-N 472.438 2.476 30 10 JEEE CN(CCNS(=O)(=O)c1ccc(F)cc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2255798842 AKAXYPPKOPFEDT-UHFFFAOYSA-N 458.361 2.270 30 10 JEEE CC(C)(C)OC(=O)N[C@]1(C)CCN(S(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2267474523 WKUMTXAMITUMJS-HXUWFJFHSA-N 487.453 2.261 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@](O)(CC(=O)NCc2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2268653605 PGFLLLSLYCTVBX-QFIPXVFZSA-N 466.409 2.426 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@H]2[C@H](C(=O)NCc3cc(B4OC(C)(C)C(C)(C)O4)cs3)[C@H]21 2268707417 SKOAZUMXNCMFEJ-BRWVUGGUSA-N 464.393 2.298 30 10 JEEE Cc1cc(C(=O)N2CCC(CO)(NC(=O)OC(C)(C)C)CC2)oc1B1OC(C)(C)C(C)(C)O1 2281981846 POVFXKHXWBZXHC-UHFFFAOYSA-N 464.368 2.379 30 10 JEEE CCc1nn(C)c(C(=O)N(C)CC2(NC(=O)OC(C)(C)C)CC2)c1B1OC(C)(C)C(C)(C)O1 2281988778 QPFJATDWXDUSJA-UHFFFAOYSA-N 462.400 2.411 30 10 JEEE Cn1ncc(C(=O)N2[C@H]3CC[C@H]2CC(NC(=O)OC(C)(C)C)C3)c1B1OC(C)(C)C(C)(C)O1 2282058571 WDRSMGUKEBQHLK-HOTGVXAUSA-N 460.384 2.380 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 2282493144 VERKGNNJLPWDFX-INIZCTEOSA-N 482.408 2.282 30 10 JEEE CC(C)n1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N(C)C[C@H](O)CNC(=O)OC(C)(C)C 2282562597 SHFNDLVADMZSBH-QGZVFWFLSA-N 465.400 2.326 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@@](C)(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)C1 2282605696 KJIVTXSVJUSVHO-QFIPXVFZSA-N 481.424 2.446 30 10 JEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC[C@H](C)[C@H](NC(=O)C(F)(F)F)C1 2282831409 JVVYGCYKYBBHHV-WCQYABFASA-N 496.382 2.433 30 10 JEEE CC(C)(C)OC(=O)N1CCCC[C@@H]2[C@@H](NC(=O)c3nccnc3B3OC(C)(C)C(C)(C)O3)[C@@H]21 2283060581 JLRAKZPHYSCNRJ-BFYDXBDKSA-N 458.368 2.294 30 10 JEEE CN(Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)[C@H]1C[C@H](O)CN1C(=O)OC(C)(C)C 2283951041 RXDJKCDUMMFXQG-RBUKOAKNSA-N 460.380 2.315 30 10 JEEE CC(C)(C)OC(=O)N1[C@H](C(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)C[C@H]2OCC[C@@H]21 2283953498 TZUJYFFCQATQJR-YESZJQIVSA-N 459.352 2.486 30 10 JEEE C[C@@H](NC(=O)[C@@H](CCC(N)=O)NC(=O)OC(C)(C)C)c1cscc1B1OC(C)(C)C(C)(C)O1 2284145879 CMVQVCNDXBGOBY-CZUORRHYSA-N 481.424 2.383 30 10 JEEE Cc1c(C(=O)N2C[C@@H]3C[C@]3(CNC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2288261412 SGBSEHPZRGAGIE-WNSKOXEYSA-N 460.384 2.015 30 10 JEEE COC(=O)CSc1nnc(Cc2ccc(OC)c(OC)c2)n1N=Cc1ccc(O)cc1O 2326766242 MZWZEIGADFENHX-UHFFFAOYSA-N 458.496 2.445 30 10 JEEE CCOc1ccccc1OCc1nnc(SCC(N)=O)n1N=Cc1ccc(C(=O)O)cc1 2326823163 QHPDDYWBSAMLLW-UHFFFAOYSA-N 455.496 2.414 30 10 JEEE CC(=O)NCc1nnc(SCC(=O)N[C@@H](C)c2ccccc2)n1N=Cc1cccc(O)c1 2330794325 WZRKFMWNIPGPHF-HNNXBMFYSA-N 452.540 2.472 30 10 JEEE CN(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C)[C@H]1CN(C(=O)OC(C)(C)C)CC12CC2 2362354751 VXVXRAQMFGDXQS-HNNXBMFYSA-N 460.384 2.191 30 10 JEEE CCOC(=O)C1CCN(c2nc3c(c(=O)[nH]2)[C@H](c2ccc(Cl)cc2)[C@@H](C#N)C(=O)N3)CC1 72444720 YRVBCZSSNBBHQS-HZPDHXFCSA-N 455.902 2.427 30 10 JEEE NS(=O)(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@@H]2c2ccccn2)cc1 170353469 SPTPBXZZZATGGZ-FQEVSTJZSA-N 479.470 2.241 30 10 JEEE COc1ccc(C(=O)N=C2S[C@H]3CS(=O)(=O)C[C@@H]3N2c2ccc3c(c2)OCCO3)cc1 254392649 WAEXPAPVNSYIEA-LPHOPBHVSA-N 460.533 2.382 30 10 JEEE C[C@@H](c1cccc(NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1)N1CCOCC1 609209982 WRAGRAGQFUDQSD-IBGZPJMESA-N 483.594 2.490 30 10 JEEE CCCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccc(CC)cc1 729668739 PTFHDWQNWITHFT-UHFFFAOYSA-N 457.559 2.138 30 10 JEEE N#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](CO)C(=O)O 757403342 STJHEENAXLHHPL-SFTDATJTSA-N 451.479 2.149 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)O[C@@H](C)C(=O)NCc3ccc(C(=O)OC)cc3)cc2C1=O 821755064 IYYXYHXHPYCSNK-AWEZNQCLSA-N 450.447 2.117 30 10 JEEE COC[C@@]1(C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)CCN(C(=O)OC(C)(C)C)C1 1135853752 GXEKDFGGQUICGR-HSZRJFAPSA-N 459.547 2.346 30 10 JEEE C=CCn1c(SCC(=O)N2C[C@@H](C)[C@H](CS(N)(=O)=O)C2)nnc1-c1ccc(Cl)cc1 1157560107 PAXMJKLZQPIQLP-HIFRSBDPSA-N 470.020 2.260 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2ccccc2F)n1CC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1286386377 ZDFIHJXUDIRDQX-IAGOWNOFSA-N 462.547 2.099 30 10 JEEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 1286504253 PIEWGQPWMPRQHW-UHFFFAOYSA-N 465.558 2.132 30 10 JEEE C=C(Br)Cn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@](C)(C(=O)NC)C1 1286544091 DFZYNWKXWHIHNT-FQEVSTJZSA-N 458.364 2.388 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1286549654 YINHBLSWYNBFII-DYQZNNLLSA-N 483.617 2.452 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1286819141 BIMUEGFRMVOBRK-UHFFFAOYSA-N 485.614 2.176 30 10 JEEE CC(=O)NCC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(N(C)C)CCOCC2)CC1 1286934300 DRZXDYOJIAIPFI-UHFFFAOYSA-N 495.628 2.192 30 10 JEEE CCOc1cccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(CC#N)CC2)c1 1296828514 DWQCKBKQCHXTHX-NRFANRHFSA-N 488.614 2.188 30 10 JEEE CN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1Cc1cccnc1OCC(F)F 1298776007 DLASLRAOHQEUDO-UHFFFAOYSA-N 476.509 2.385 30 10 JEEE COc1cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC2(S(C)(=O)=O)CC2)ccc1OC(C)C 1299856837 GKRCPYPGNXMDSY-KRWDZBQOSA-N 475.571 2.047 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccc1N1CCCC1 1300410688 PTYXBOPMUTYFNR-QFIPXVFZSA-N 486.642 2.261 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1csc([C@H](C)OC)n1)[C@H]1CCS(=O)(=O)C1 1300487529 KKCMNVDCOSXRJB-YJBOKZPZSA-N 472.596 2.179 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1CC1(SC)CC1)[C@@H]1CCS(=O)(=O)C1 1300499574 VERIGVWHRYBXHK-GOSISDBHSA-N 460.625 2.400 30 10 JEEE C#CCN(c1nnc(CN2CCCC2=O)n1[C@@H]1CCC[C@H](C(F)(F)F)C1)[C@@H]1CCS(=O)(=O)C1 1300500738 CPSPJMFRVCTGEP-GVDBMIGSSA-N 487.548 2.321 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCC1(COC)CCCC1)[C@H]1CCS(=O)(=O)C1 1300505139 XZJUVYXVWDLJEB-NRFANRHFSA-N 488.658 2.363 30 10 JEEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OC)cc1C(F)(F)F 1300509750 UECLDYDXIUSUJO-AWEZNQCLSA-N 469.489 2.037 30 10 JEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cc(OC)ccc1OC 1300527822 LDTBABSYDVFXBJ-UHFFFAOYSA-N 478.578 2.377 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C1CC1)N(C)Cc1ccccc1 1300537209 AZXIAJRFGTWAIA-XZOQPEGZSA-N 465.623 2.164 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(C)o2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1300656408 GWUKVMHDFPQFJM-MOPGFXCFSA-N 461.588 2.137 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CC2CCN(CC(F)(F)F)CC2)CC1 1300700193 MUQDJVSLWJVOAR-LJQANCHMSA-N 454.541 2.202 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2CCCN2C[C@H](C)O[C@H](C)C2)CC1 1300715662 BKNSCJBRBUNBAP-OYRHEFFESA-N 494.640 2.419 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2cc(OC)c(OC)cc2C1 1300762692 LSZASZOHXUBWPB-QGZVFWFLSA-N 476.624 2.127 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1300885761 SKLOGLQIEREHJP-NSHGMRRFSA-N 467.636 2.061 30 10 JEEE C=C(Cl)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1301057617 ZLALTTZQTDCDFN-IBGZPJMESA-N 469.933 2.248 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 1301515184 QNNBVVZSCIZDLC-GOSISDBHSA-N 495.584 2.477 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1CCSC1 1301531759 WQUUWPXSYYNXMN-ICSRJNTNSA-N 493.655 2.166 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](Nc2ccccc2)C1 1301579071 MHZBVCLJAFQPKC-HXUWFJFHSA-N 455.588 2.360 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCO[C@H](c2noc(C)n2)C1 1301585848 CIJLMIHBGCYQSX-IBGZPJMESA-N 472.571 2.047 30 10 JEEE C#C[C@@H](NS(=O)(=O)c1ccc(S(=O)(=O)NCC(F)(F)F)cc1)c1ccc(F)cc1 1309524647 WXEYEPNBOJBCIT-MRXNPFEDSA-N 450.435 2.319 30 10 JEEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCCCCC2=O)C[C@H]1OC 1316333739 GONXDKMYASIERH-SZPZYZBQSA-N 482.585 2.371 30 10 JEEE C[C@H]1CN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c2ccccc2C(=O)N1 1357696970 IAESGCIBRNKOFZ-INIZCTEOSA-N 452.536 2.124 30 10 JEEE C#CCN(c1nnc(C2CC2)n1CC1CCN(CC(F)(F)F)CC1)[C@H]1CCS(=O)(=O)C1 1358961670 CXYWRCLWBMSZLH-KRWDZBQOSA-N 459.538 2.057 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(C#N)c2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1358989596 ISJURYJTDKCKMM-QHCPKHFHSA-N 457.582 2.222 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H]2CCCO2)CC1 1359041808 JIZMKJBLCUEGLS-KRWDZBQOSA-N 475.391 2.191 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccsc2Br)CC1 1359044882 QVLURXGABPANMJ-HNNXBMFYSA-N 491.415 2.067 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccsc2Br)CC1 1359044883 QVLURXGABPANMJ-OAHLLOKOSA-N 491.415 2.067 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1359063836 FOGAVJXPNRPXCV-QFWMQHCXSA-N 488.610 2.359 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N1CCC(OCC(N)=O)CC1 1359105172 KUFNYLUYPAYLHJ-HXOBKFHXSA-N 473.549 2.448 30 10 JEEE C=C(C)COCCn1c(-c2ccccn2)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1359130637 QVGMHZORPLXLLO-UHFFFAOYSA-N 463.542 2.475 30 10 JEEE C=C(Cn1c(-c2cccn2C)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1)c1ccccc1 1359138153 LEDSESTYLXBYBG-UHFFFAOYSA-N 461.570 2.170 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(C(=O)OCc2ccccc2)CC1 1359331762 HPBPVQJMCZBGJO-UHFFFAOYSA-N 459.572 2.215 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1359336068 DJZGPAMMKURFTQ-RTBURBONSA-N 495.690 2.492 30 10 JEEE C[C@H](CC#N)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccccc1CN1CC[C@H](O)C1 1360466551 FTZPTARRRGKRDE-NQIIRXRSSA-N 474.569 2.279 30 10 JEEE CS(=O)(=O)c1ccnc(NC(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)c1 1476950239 AKINQABSQJYGKD-UHFFFAOYSA-N 451.512 2.101 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3oc(C4CC4)nc3C#N)CC2)n1CCC(C)(C)O 1497037087 GOGJKRDLKWFHSD-UHFFFAOYSA-N 484.605 2.421 30 10 JEEE CCS(=O)(=O)NCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1ccc(C#N)cc1 1503277145 HMLUPGZLZKXPAA-UHFFFAOYSA-N 492.403 2.483 30 10 JEEE C#CCN(c1nnc(-c2cn(C)c3ccccc23)n1C[C@@H](F)COC)[C@H]1CCS(=O)(=O)C1 1507630607 CYQLYSLZVDKIAV-SJORKVTESA-N 459.547 2.048 30 10 JEEE C#CCN(c1nnc(-c2noc3c2COCC3)n1CCCCCSC)[C@@H]1CCS(=O)(=O)C1 1507630908 JMGXQEFZUDWQFR-MRXNPFEDSA-N 479.628 2.166 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@H](OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1507639037 IYPRHBZAETZDKE-FPOVZHCZSA-N 458.584 2.217 30 10 JEEE C#CCN(c1nnc(CSc2ccc(C)cc2)n1CCCC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1507639374 XOLYXIQEMCDJQG-IBGZPJMESA-N 489.667 2.374 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H]2CCOC[C@@H]2OC)CC1 1507741413 RXCFVYXMJAGCOY-YUMYIRISSA-N 487.645 2.214 30 10 JEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 1507741541 WMRCNKQAROFBCZ-LJQANCHMSA-N 481.626 2.439 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1Cc1ccccc1CN1CC[C@@H](O)C1 1507759956 QTEALHUYSZBCEJ-PXDATVDWSA-N 450.587 2.023 30 10 JEEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1507787869 IECRCXFLFKSDOO-MRXNPFEDSA-N 494.419 2.309 30 10 JEEE C=C(Br)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1507790530 LWOMLWLPZHLOFF-WBVHZDCISA-N 457.332 2.352 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 1507791707 QIQLNSUORUOYJJ-HQRMLTQVSA-N 490.630 2.242 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)[C@H](C)CC(N)=O 1507795767 KAGNGZXDSFKRJJ-SUMDDJOVSA-N 489.646 2.228 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(O)CCOC1 1507821330 YZPDPXADPBRDMT-JTSKRJEESA-N 451.568 2.140 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(CC(=O)NC2CC2)CC1 1507848378 JMJYJDGIBGNQAF-IFMALSPDSA-N 474.650 2.190 30 10 JEEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccnc(N2CCCCC2)c1)C1CC1 1507988802 VXWRCBTXONLAHP-QGZVFWFLSA-N 459.620 2.477 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@]2(CCc3ccccc32)C1 1508071360 IMHGAWMCIHQDBH-RUZDIDTESA-N 466.586 2.177 30 10 JEEE CC(=O)N1CCN(CCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(CCC#N)CC2CC2)CC1 1508278935 VFPPSSBPYGLPKV-UHFFFAOYSA-N 466.546 2.147 30 10 JEEE CCc1nnc(Cn2c(-c3cccc(C#N)c3)nnc2N(CC)[C@H]2CCS(=O)(=O)C2)s1 1513774277 BYVBZYAWOZAFAZ-INIZCTEOSA-N 457.585 2.292 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)CC)n2CCN/C(O)=C2\N=CC=CC2=O)c1 1539037086 BMJOSJHINSHTHK-AHVROQKPSA-N 475.553 2.374 30 10 JEEE C#CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1539118511 ACSOQFUEVFDQPS-UXHICEINSA-N 489.642 2.433 30 10 JEEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccccc1CN1CCC[C@H]1CO 1539153473 DZAOZIFHKLZGIH-DHLKQENFSA-N 453.587 2.005 30 10 JEEE C#CCN(c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C/C=C/CC)[C@H]1CCS(=O)(=O)C1 1539215354 ALRYJQCUQOAXGO-HKMNZKMDSA-N 480.594 2.268 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@@H](C)N(C)C1CC1)[C@@H]1CCS(=O)(=O)C1 1539229878 JABYFEPTLVJCBX-TZIWHRDSSA-N 471.627 2.275 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC1CC(OC(C)(C)C)C1 1539415822 HJHRQDOWTSIWTQ-JLAWEPINSA-N 452.621 2.250 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2[C@H]2C[C@H](c3cccc(Cl)c3)C2)CC1 1539429588 BBECNFCWGTUUMX-QRFRQXIXSA-N 477.034 2.416 30 10 JEEE C#CCN1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCCC(C)(C)COC)CC1 1539445686 CEURRSNYJHONKI-UHFFFAOYSA-N 477.613 2.400 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@@H](C)OC)CC1 1539474776 YHYKVRRUJGZQKJ-QGZVFWFLSA-N 455.559 2.353 30 10 JEEE C#CCSCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCN(CC(=O)N(C)C)CC1 1539510489 JEDMSVSIBJEFIB-UHFFFAOYSA-N 479.610 2.177 30 10 JEEE C#CCSCCn1c(-c2cccnc2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1539512343 BWMDMTXYIVTJFL-UHFFFAOYSA-N 464.599 2.086 30 10 JEEE C=C(C)COCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCNC(=O)[C@@H]1CC 1539721524 BHFLCNAMODUIKQ-SFHVURJKSA-N 460.966 2.169 30 10 JEEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](NC(C)=O)C1 1539729379 PHOMVJNIRLTHJO-LJQANCHMSA-N 461.588 2.046 30 10 JEEE C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1539772569 IOPGBMVVXAYFAW-LPHOPBHVSA-N 487.008 2.057 30 10 JEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](Cc2ccccc2)C1 1540005506 LWXKPQUVNUNKKF-SFTDATJTSA-N 475.615 2.025 30 10 JEEE C=CCCOCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN2C(=O)OC[C@H]2C1 1540019180 CWIFAJMLVJIRIA-GOSISDBHSA-N 474.949 2.095 30 10 JEEE C=CCN(CC=C)c1nnc(-c2ccccc2Br)n1C[C@@]1(O)CCS(=O)(=O)C1 1540163374 ZFNWTEFUZBPRCR-IBGZPJMESA-N 467.389 2.436 30 10 JEEE CCS(=O)(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H](C(C)C)N1CCOCC1 1548307617 BFLOMAKWWOPWHW-OAQYLSRUSA-N 474.631 2.044 30 10 JEEE COCCOCC(=O)N1C[C@H](CO)C2(CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)C1 1548402420 IEYILNGPVPKKDJ-QGZVFWFLSA-N 455.477 2.277 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCN(CCc2ccccc2)C1 1587640202 QBPRCLKTHCTWRK-BVSLBCMMSA-N 455.628 2.203 30 10 JEEE C#CCCCCn1c(Cc2ccccn2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1587773412 IIJALXONNCIUOM-UHFFFAOYSA-N 485.639 2.343 30 10 JEEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2c(F)cccc2Cl)CC1 1589709006 ZTLJHUPPMGJNDO-AWEZNQCLSA-N 484.985 2.219 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](c2ccsc2)O[C@H](C)C1 1593635896 BWCLMUUSIQLTJD-NXHRZFHOSA-N 467.617 2.215 30 10 JEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1ccc(OC)cc1OC 1595405805 YXXHEOPUEULXDG-AZUAARDMSA-N 477.587 2.156 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCOC[C@@H]1C 1595799051 WFIQXHAUCVXDGV-ROUUACIJSA-N 483.635 2.219 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](CC)C1 1595805326 NGMJWZZLWKWSBV-ROUUACIJSA-N 483.635 2.424 30 10 JEEE COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CCN(c2nc(C)c(C#N)cc2Cl)CC1 1611797160 BHVWKSOAQWVEGU-UHFFFAOYSA-N 452.920 2.422 30 10 JEEE CCN1CCN([C@H]2CCN(c3nnc(COc4ccc(C#N)cc4)n3C[C@](C)(O)C(C)C)C2)CC1 1615875149 CSXMKSXVEORKTM-NVQXNPDNSA-N 481.645 2.352 30 10 JEEE CC(C)(C)OC(=O)N1CCC(OCC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC1 1638202732 DADORVONIXDWFD-NVXWUHKLSA-N 452.552 2.278 30 10 JEEE C=C[C@@H]1OCCC[C@H]1NCC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N(C)C 1645745925 LVCCPZBOZRGSJM-NQIIRXRSSA-N 450.605 2.189 30 10 JEEE C=C[C@@H]1OCC[C@H]1NC(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)C1 1682436652 JNBZXOJGRVUMFN-MANSERQUSA-N 450.580 2.267 30 10 JEEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CCOC)[C@@H](C)C1 1689932061 PYWYNNSVEIUMES-PMACEKPBSA-N 476.622 2.157 30 10 JEEE C#CCCCn1c(COc2cccc(C)c2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1689937057 NAEBSOWGIWUWFT-UHFFFAOYSA-N 459.554 2.399 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1Cc1ccc(COCC)cc1)[C@H]1CCS(=O)(=O)C1 1689986278 MIAMSKPYDLPMNO-NRFANRHFSA-N 467.595 2.495 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H](c1cccc(OC)c1)N(C)C)[C@H]1CCS(=O)(=O)C1 1689986691 VHAXAXCMYPDDLE-REWPJTCUSA-N 494.621 2.278 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC(C)(C)C(=O)NC 1690107793 CUQAUDQSHSIIPC-KRWDZBQOSA-N 462.595 2.208 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H]2CCCCN2CCC)CC1 1690146636 SMOFMDSUGNNSFD-YADHBBJMSA-N 456.635 2.402 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CC2CCN(CC(F)(F)F)CC2)CC1 1690154569 RXCIKXIXUUBVAM-LJQANCHMSA-N 482.551 2.370 30 10 JEEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)COc2ccc(F)cc2)CC1 1690174931 MJXYWGMFEISFMY-GOSISDBHSA-N 473.574 2.015 30 10 JEEE C=C(Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccn1)c1ccccc1 1690323885 CAWZJSZNWQVBLP-OAQYLSRUSA-N 468.583 2.356 30 10 JEEE C=CCCOCCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@]2(CCC(=O)N2)C1 1690499962 HHRMVJSGXQXLKF-HXUWFJFHSA-N 463.380 2.498 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCN1CC 1690577809 NMIRRVXAPJYQNS-ICSRJNTNSA-N 494.687 2.349 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1690666769 GARYIXFFSUDDAF-QGZVFWFLSA-N 451.531 2.406 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC(=O)N(CCOC)C2)C1 1690691195 AICRPORVTVJYTA-TZIWHRDSSA-N 450.543 2.093 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Br)cc2)nnc1N(C)C[C@@H](C)C(=O)NC 1690717639 MAGBNVVFWWLHHD-CQSZACIVSA-N 484.420 2.127 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN(CCc2cccs2)CC1 1690722661 RCBKSRGCIBTBNH-UHFFFAOYSA-N 472.640 2.367 30 10 JEEE C/C(=C\c1ccccc1)CN(C)c1nnc(C(=O)NC(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1690753111 ZXTZVIDPZMKGKB-VATWHWJKSA-N 477.569 2.482 30 10 JEEE COC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C2CC2)N(C)C)C1 1697039203 DWLMPVIBGBARHD-CTNGQTDRSA-N 452.559 2.458 30 10 JEEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(C)n(C)c2=O)C[C@@H]1C 1698086982 BEYVXARMYIRVNR-IBGZPJMESA-N 461.570 2.029 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@](C)(O)c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1705566932 RWXVOPRVCWUGQM-GBXCKJPGSA-N 483.569 2.322 30 10 JEEE C#CCN(c1nnc(COc2cc(C)ccc2C(C)C)n1CC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1705568523 PIAYPNDDEPFMRS-IBGZPJMESA-N 487.626 2.004 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCc2ncc(CC)s2)CC1 1705635021 PCRCYQGGJGXVON-QHCPKHFHSA-N 458.632 2.336 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCn2nc(C)cc2C)CC1 1705642404 SMZCGHKTCZVMOC-UHFFFAOYSA-N 458.570 2.388 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC2=CCCOC2)CC1 1705643578 LARBZVAXCPQAQY-FQEVSTJZSA-N 456.591 2.452 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(OC)cc1OC 1705661555 DZKPOVVWUHANCW-QGZVFWFLSA-N 464.613 2.200 30 10 JEEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C(N)=O)CC1 1705754746 FILQFWODQFBIRI-HNNXBMFYSA-N 454.959 2.041 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C)C1 1705913661 UPTBVTPDXRIPRR-FXAWDEMLSA-N 461.588 2.070 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1705933683 OXGVOEYBXRAUFI-IBGZPJMESA-N 480.656 2.467 30 10 JEEE CC[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccccc2C#N)CC1)N1CCCC1 1708767908 BISWASLJXGXNPE-NRFANRHFSA-N 464.618 2.489 30 10 JEEE N#CCC1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCCCS2(=O)=O)CC1 1712886055 HBUNJDKFQCMINZ-KRWDZBQOSA-N 457.560 2.023 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1722280147 VHVDNSMXXBYSLT-BBTUJRGHSA-N 473.540 2.430 30 10 JEEE C#CCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1722340160 OWGHTUYYFCARDQ-GOSISDBHSA-N 456.934 2.397 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1C[C@]1(O)CCSC1)[C@@H]1CCS(=O)(=O)C1 1722360330 SXEDREYNYSPUKU-IIBYNOLFSA-N 498.577 2.041 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1C[C@@H]1CCC[C@@]2(CCOC2)O1)[C@H]1CCS(=O)(=O)C1 1722367337 VYCXUYPSXSCAAI-GHDARCQNSA-N 450.605 2.147 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1cccc(CN(C)CC)c1)[C@H]1CCS(=O)(=O)C1 1722369647 CZOXJJOEJKVQFY-FCHUYYIVSA-N 471.627 2.256 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccnc(OC2CCCC2)c1 1722397516 RECAOLNFQOJMBV-HXUWFJFHSA-N 467.595 2.408 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCCOC2CCOCC2)CC1 1722435800 PVSKWCADXKVOEJ-UHFFFAOYSA-N 469.586 2.303 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccc(OCC(C)C)c2)CC1 1722438312 VNFRSFZLNKHGBN-NRFANRHFSA-N 471.627 2.019 30 10 JEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1722453193 PDCMKSGIHPKJJQ-HXUWFJFHSA-N 450.568 2.330 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1CN1CCOCC1 1722516788 CYOPUOAZOGTLCY-QFIPXVFZSA-N 473.643 2.463 30 10 JEEE C=C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2cccc(S(=O)(=O)NC)c2)CC1 1722564122 IDOAYNABBPQETP-JOCHJYFZSA-N 461.588 2.043 30 10 JEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C(=O)N(C)c2ccccc2)C1 1722630160 WUYMHTQYPXBLNZ-PMACEKPBSA-N 487.626 2.262 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCCC1 1722680943 DOULATFCEDMAQQ-IBGZPJMESA-N 464.611 2.321 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCO[C@H](C(F)(F)F)C1 1722693758 ZJOYGPVCYGSPNQ-KRWDZBQOSA-N 461.448 2.405 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1722731254 IDYALGUSEGPCFJ-QRTHJKPMSA-N 464.563 2.194 30 10 JEEE CC(C)CN1CCO[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@H](CC(N)=O)C2)C1 1723475020 DLKYLCKMGMBOMO-GGAORHGYSA-N 495.628 2.177 30 10 JEEE CCC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC(=O)N(CCOC)C2)CCO1 1727982353 GFATUSSBVDJTMY-CTNGQTDRSA-N 452.559 2.317 30 10 JEEE CN(C)[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1)c1cccs1 1729319159 CWCCHDDSNDQJSD-LJQANCHMSA-N 465.583 2.419 30 10 JEEE COCC[C@@](C)(O)Cn1c(CC2CCCC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1730633556 HZKYLKGXZBBTPP-XMMPIXPASA-N 453.591 2.392 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1cccc(C(F)(F)F)n1)[C@@H]1CCS(=O)(=O)C1 1740620627 FSZKLPRIOLIPSL-OAHLLOKOSA-N 464.473 2.362 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC1(OC)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1740624096 FSRBVBFHYABCBC-HXUWFJFHSA-N 474.631 2.116 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CCc1sc(C)nc1C)[C@@H]1CCS(=O)(=O)C1 1740627143 YMOGCWWNYUOXAM-LJQANCHMSA-N 470.624 2.207 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCN1CCN(C)C(C)(C)C1 1740644423 FRHNKVDHGHJQQV-OYRHEFFESA-N 483.661 2.148 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2oc(CCC)nc2C)CC1 1740699007 SJIAURSGSNJMHR-UHFFFAOYSA-N 467.599 2.322 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCCn1cnc2ccccc21 1740725594 SGDUMPSXKBWNGL-HTAPYJJXSA-N 455.588 2.320 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 1740795306 RYQSJXAAKPDBOQ-IBGZPJMESA-N 489.646 2.013 30 10 JEEE C=C(Cn1c(N2CCO[C@H](CNC(C)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1)c1ccccc1 1740801071 ZHFOAANZKXHFLS-RCZVLFRGSA-N 469.586 2.373 30 10 JEEE C=CC1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCCNS(C)(=O)=O)CC1 1740842862 OPHBJUNEFZCSKE-HDICACEKSA-N 482.651 2.391 30 10 JEEE C=CCC(C)(C)Cn1c(N2CCCN(S(C)(=O)=O)CC2)nnc1[C@@]1(OCC)CCOC1 1740852559 PJCVJFKMOIKTSM-OAQYLSRUSA-N 455.625 2.004 30 10 JEEE C=CCn1c(COc2ccccc2OC)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1740948967 WOBAZOQJXCZROC-TZIWHRDSSA-N 468.602 2.431 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1740956495 MHCNOIYAUBHQCA-INIZCTEOSA-N 491.980 2.026 30 10 JEEE Cc1ccc(OCc2nnc(N(C)C[C@@H](C)C#N)n2C[C@@H]2CCN(S(C)(=O)=O)C2)cc1C 1742263086 GICLCMXAFKJIGC-QFBILLFUSA-N 460.604 2.351 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2CCS(=O)(=O)C(C)(C)C)c1 1748698053 PDMYNQCPALVYGW-UHFFFAOYSA-N 461.588 2.084 30 10 JEEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1ccnc(OC(F)F)c1 1748784252 HDALIASBBPIUDH-UHFFFAOYSA-N 451.437 2.306 30 10 JEEE COc1ccccc1Cc1nnc(N2CCO[C@H](C#N)C2)n1CCCN1C[C@H](C)O[C@@H](C)C1 1749043011 GGEIBGSKGRJRET-IRFCIJBXSA-N 454.575 2.106 30 10 JEEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCCN(Cc2noc(C)n2)CC1 1749085646 CKMIWCAIRVUUMM-OAHLLOKOSA-N 484.399 2.314 30 10 JEEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCC[C@@H](O)C1 1749597766 MIQMMCMVQWNUMQ-QZTJIDSGSA-N 452.559 2.382 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(OC)ccc1OC(F)F 1760115672 BKUQJCZPTOZEES-ZIAGYGMSSA-N 454.499 2.296 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccnc(OC2CCCC2)c1 1760206330 WSASWKZDNUPKHL-IBGZPJMESA-N 453.568 2.018 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2CCCCN2CCN(CC)CC2)CC1 1760262568 QTQIWTBOIVDAMM-UHFFFAOYSA-N 467.637 2.181 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCSCC#C)CC1 1760267535 PSVWIZCLFAOZCS-UHFFFAOYSA-N 465.579 2.049 30 10 JEEE C#CCSCCn1c(N2CCN3C(=O)N(CC(C)C)C[C@@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1760286069 AZQQWEHYSHUFSM-GBXCKJPGSA-N 490.674 2.267 30 10 JEEE C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)C[C@@H](C)C1 1760306459 HOYJFTMUYSWJBM-VNHYZAJKSA-N 462.414 2.002 30 10 JEEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CCN(c2nccnc2C)CC1 1760526508 ATZKAYZBRZGZLH-UHFFFAOYSA-N 460.586 2.181 30 10 JEEE C=CCOc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCN(C(=O)OC)[C@@H](C)C2)cc1 1760529672 JTKLGXYOPBFHME-HKUYNNGSSA-N 489.598 2.070 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1760552013 YYHWFJNCPPRAAI-UHFFFAOYSA-N 497.625 2.145 30 10 JEEE Cc1ccc(OCc2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@]2(O)CCS(=O)(=O)C2)cc1C 1761831850 AMDRGBGKGXRITP-XZOQPEGZSA-N 473.599 2.154 30 10 JEEE CCN(CC)CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2c(C)nn(C)c2C)CC1 1766647959 DRXFCBYZYFGRMJ-UHFFFAOYSA-N 489.628 2.206 30 10 JEEE C[S@](=O)C1(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCO[C@@H](C#N)C2)CCC1 1771368163 BNPPHPFEQLLOSO-CEXHIMGSSA-N 453.366 2.066 30 10 JEEE CC(=O)N1CCCc2cc(S(=O)(=O)N[C@@H]3CCN(C(=O)c4cccc(C#N)c4)C3)ccc21 1858298077 DTVJOCJJORRSJL-HXUWFJFHSA-N 452.536 2.050 30 10 JEEE C#CCOC(=O)NS(=O)(=O)c1ccc(CCNC(=O)COc2ccc(Cl)cc2)cc1 1859010260 RQCVOCAXOIDYGB-UHFFFAOYSA-N 450.900 2.126 30 10 JEEE C=CCNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1 1861265066 GWCOBYAEGLOYPK-QAPCUYQASA-N 450.322 2.081 30 10 JEEE COc1cc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCN2CCOCC2)cc(OC)c1OC 1862601853 OKBSQANDXJZABV-QFIPXVFZSA-N 498.532 2.329 30 10 JEEE C=CCOc1ccccc1[C@H]1C(C(=O)N(CCOC)CCOC)=C(N)Oc2c1c(CC)nn2C 1865224071 BWBNYLFGQCNBMH-HXUWFJFHSA-N 470.570 2.363 30 10 JEEE C=CCN(CC=C)C(=O)[C@@H](CCSC)NC(=O)CCS(=O)(=O)c1ccc(NC(C)=O)cc1 1868740787 UYCQBJPNXYXVRZ-HXUWFJFHSA-N 481.640 2.247 30 10 JEEE C=CCn1cc(OCC(=O)Nc2ccc(C)c(C)c2)c(=O)cc1CN1CCN(C(C)=O)CC1 1870751268 JIWMELNLRWYRMZ-UHFFFAOYSA-N 452.555 2.333 30 10 JEEE CC(=O)NCc1nnc(SCC(=O)NCc2ccccc2)n1/N=C/c1ccc([N+](=O)[O-])cc1 1874436236 RSLQGCVCUMVPHL-WYMPLXKRSA-N 467.511 2.113 30 10 JEEE Cc1ccc(N2CCN(C(=O)[C@@H]3SCC(=O)N(C(C)C)[C@H]3c3ccc(C#N)cc3)CC2)nn1 1889534527 XIBAPELOAZREJE-XZOQPEGZSA-N 464.595 2.399 30 10 JEEE CN1CCN(CC#CCOC2CCN(C(=O)c3cccc(NC(=O)c4ccco4)c3)CC2)CC1 1890543880 XWQFTPAUGYVEOQ-UHFFFAOYSA-N 464.566 2.404 30 10 JEEE CCN1CCN(CC#CCOC2CCN(S(=O)(=O)c3cc(Cl)c(F)cc3F)CC2)CC1 1891020294 HDRWWVKRMHIDOO-UHFFFAOYSA-N 475.989 2.429 30 10 JEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)N1CCC(B2OC(C)(C)C(C)(C)O2)CC1 1965096155 VKWRGXDOZJHHBR-QGZVFWFLSA-N 486.440 2.495 30 10 JEEE COC1(CNC(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2255704820 MXFOHNUFRSLXDQ-UHFFFAOYSA-N 452.382 2.413 30 10 JEEE C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccc(B2OC(C)(C)C(C)(C)O2)s1 2256616627 CWJDFRLOQVHBMV-CZUORRHYSA-N 454.398 2.280 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@@H](NC(=O)c3cscc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2266997023 KMCYRSRLGOISIY-XYPHTWIQSA-N 464.393 2.411 30 10 JEEE C[C@@H]1CCN(C(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)[C@H](C)[C@@H]1NC(=O)C(F)(F)F 2267164171 OFUJQLSERDEIMT-NQBHXWOUSA-N 461.315 2.360 30 10 JEEE CC(C)[C@@H](CCNC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2267186607 LYKHITOMIWSPRA-MRXNPFEDSA-N 450.389 2.389 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H]1NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2267363608 LKRJNCDHMLGUCJ-IAGOWNOFSA-N 470.372 2.459 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](OCCNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)C1 2267551807 OFOAXQYUUWXGEE-OAHLLOKOSA-N 450.341 2.335 30 10 JEEE CC(C)(C)OC(=O)NC[C@H](Oc1ccc([N+](=O)[O-])c(B2OC(C)(C)C(C)(C)O2)c1)C(=O)O 2267822160 IXIILSRWBKYZSU-HNNXBMFYSA-N 452.269 2.251 30 10 JEEE CC(C)(C)OC(=O)NC/C=C\CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2268408187 YLKJEXNIWHWUHU-HJWRWDBZSA-N 470.372 2.484 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1COCCN(C(=O)c2cccc(F)c2B2OC(C)(C)C(C)(C)O2)C1 2281786568 GPXXOOHRVXYBTC-OAHLLOKOSA-N 464.343 2.491 30 10 JEEE Cn1cc(C(=O)N[C@H]2CN(Cc3ccccc3)CC(F)(F)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2281973390 RUICBKOAVGROLF-QGZVFWFLSA-N 460.334 2.359 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H](C)[C@@H](CNC(=O)OC(C)(C)C)C2)n1 2281996183 LUEIPNIZBWFQIU-CVEARBPZSA-N 462.400 2.435 30 10 JEEE CN(C[C@@H]1CN(C(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CCO1)C(=O)OC(C)(C)C 2282189413 JXCOYQHDASWPRW-GOSISDBHSA-N 461.368 2.089 30 10 JEEE C[C@@H](NS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2282287766 FCZZXUONCCLVPV-HZPDHXFCSA-N 481.424 2.305 30 10 JEEE CC1(C)OB(c2cscc2S(=O)(=O)N2C[C@H]3CC[C@H]2[C@H](NC(=O)C(F)(F)F)C3)OC1(C)C 2282506051 MOHWJVVMODZQSP-YUTCNCBUSA-N 494.366 2.267 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1 2282537627 UBGWYFAGUDJKEJ-MRXNPFEDSA-N 462.400 2.486 30 10 JEEE CN(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)[C@@H]1CN(Cc2ccccc2)C(C)(C)C1 2282698407 BQTQJMDQSKKROJ-SFHVURJKSA-N 453.396 2.239 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@]2(NC(=O)c3ncncc3B3OC(C)(C)C(C)(C)O3)CCC[C@@H]12 2282707755 CJQCZYNUSAFRSY-WAIKUNEKSA-N 458.368 2.438 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N[C@H]2C[C@@H](OCc3ccccc3)C2(C)C)n1 2282844607 GNURHEJBUHGMEJ-RBUKOAKNSA-N 475.420 2.382 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1CN2C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(O)cc1O 2282983278 OUCQRHRDIFMRJE-KGLIPLIRSA-N 460.336 2.231 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]1C[C@H]2CNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2283071242 CEIOUFAJYSEGDI-XHSDSOJGSA-N 458.368 2.151 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(F)cc2Cl)C1 2285941283 JKKLQGISACOTRH-IRXDYDNUSA-N 484.761 2.488 30 10 JEEE Cc1ccc(C(=O)N(C)CC2(O)CN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2287304819 SQZFYIWEZIQCSN-UHFFFAOYSA-N 460.380 2.348 30 10 JEEE COc1ccc(N2C[C@@H](c3nnc(SCC(N)=O)n3N=Cc3cccc([N+](=O)[O-])c3)CC2=O)cc1 2325880802 BQKPEFPKGPPGQZ-HNNXBMFYSA-N 495.521 2.175 30 10 JEEE CC(=O)NCc1nnc(SCC(=O)Nc2ccccc2)n1N=Cc1ccc(O)c([N+](=O)[O-])c1 2330727006 FJBGWXJAWSWNOD-UHFFFAOYSA-N 469.483 2.141 30 10 JEEE CCCNC(=O)CSc1nnc([C@H]2CCCO2)n1N=Cc1cc2c(cc1[N+](=O)[O-])OCCO2 2330935741 KZDAECPWAOHANY-OAHLLOKOSA-N 476.515 2.310 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@]2(C)C1 2362356097 FMJYYRGZUGYBNR-IQMFZBJNSA-N 460.384 2.048 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@]2(C)C1 2362356100 FMJYYRGZUGYBNR-NPMXOYFQSA-N 460.384 2.048 30 10 JEEE C=CCNC(=O)CN1CCN(CC(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)CC1 23265701 IGZUOLJMSHSZCR-HXUWFJFHSA-N 463.582 2.036 30 10 JEEE C=CCC[C@@H](O)CN1CCN(Cc2nc(C(=O)N3CCN(c4ccccc4)CC3)co2)CC1 34677733 ZFBJIAXPENZSSR-JOCHJYFZSA-N 453.587 2.082 30 10 JEEE C=CCN1C(=O)N[C@H](c2ccccc2C(F)(F)F)C2=C1CN([C@@H](C)C(=O)NCCOC)C2=O 35971476 SNAVZWUQEVYMNK-SCLBCKFNSA-N 466.460 2.205 30 10 JEEE CCOC(=O)[C@@H]1CCCN(c2nc(=O)c3c([nH]2)NC(=O)[C@@H](C#N)[C@H]3c2cccc(Cl)c2)C1 203567933 LJSUKGRPIBMRPO-VNQPRFMTSA-N 455.902 2.427 30 10 JEEE CCOc1ccc(/C=C/C(=O)[C@H]2C[C@H](NC(=O)CN3C(=O)c4ccccc4C3=O)CCN2)cc1OC 585823971 CRPRBIYMTGIVLO-TZVLLHBLSA-N 491.544 2.209 30 10 JEEE C[C@H](C(=O)N[C@@H]1CCNC[C@@H]1C(=O)/C=C/c1ccc([N+](=O)[O-])s1)N1C(=O)c2ccccc2C1=O 585830732 CPGMXTFFJTXSNN-WSHLSDCUSA-N 482.518 2.018 30 10 JEEE N#CCCN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)O)CC2=O)cc1 609411540 BILFYEVZOFCDAT-HNNXBMFYSA-N 471.491 2.004 30 10 JEEE Cc1nn(CCO)c(C)c1C=NNc1nnc(SCC(=O)Nc2cccc(Cl)c2Cl)n1N 1084009750 CRHWUWKTCFJISK-UHFFFAOYSA-N 498.400 2.281 30 10 JEEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)cc1 1153593999 MLNNWESIFHJUGD-SFHVURJKSA-N 451.907 2.479 30 10 JEEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 1157501733 MIYXEPXXDUHLTC-UHFFFAOYSA-N 452.504 2.150 30 10 JEEE C=CCN(C(=O)c1cc(I)cc([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 1264995607 MNJDNYMYUASWIL-GFCCVEGCSA-N 450.254 2.015 30 10 JEEE C#CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1286347990 RZWQMRCKNVFBKL-HXUWFJFHSA-N 499.660 2.207 30 10 JEEE C#CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN(CC(=O)N(C)C)CC1 1286349214 GGCIHYIDIADYBX-UHFFFAOYSA-N 487.649 2.016 30 10 JEEE C#CCCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1286353997 DTUSSKAQMPWJAO-GOSISDBHSA-N 452.588 2.445 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H](N1CCOCC1)C(F)(F)F 1286424609 ZMXRSQLVVSBQGI-FQEVSTJZSA-N 475.471 2.400 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Cl)n2Cc2ccc(C(N)=O)nc2)CC1 1286488999 AZMPSMQGKIOXEF-UHFFFAOYSA-N 477.956 2.107 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CSc3ccc(C)cc3)n2Cc2ncn(C)n2)CC1 1286494489 MQOPPOQKQVCYFU-UHFFFAOYSA-N 464.599 2.021 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1CCC(C)CC1 1286582136 RSHPBOOAMRMGKY-HXUWFJFHSA-N 468.668 2.135 30 10 JEEE C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1286686451 HPJJOAIBOGJNBT-HXUWFJFHSA-N 457.623 2.110 30 10 JEEE C=CCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1286776477 ABDHJAIQLBQHDJ-OAQYLSRUSA-N 451.619 2.324 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(C)C)C(=O)C1 1286795726 LRQFYOFRPUIRRI-IBGZPJMESA-N 452.559 2.147 30 10 JEEE C[C@@H]1OCC[C@@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](C(F)(F)F)C1 1291323055 FODGITHSRWLULK-GZRFBZBPSA-N 467.448 2.036 30 10 JEEE CC[C@@H]1CCCCN1CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1293362656 FWSVATNFOHXORM-DHIUTWEWSA-N 465.602 2.423 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)Sc1ccccc1 1300309758 VKEDYUNDJCQTGL-JENIJYKNSA-N 463.629 2.250 30 10 JEEE C#CCCCCn1c(-c2ccc(OC)cc2OC)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1300352785 PEPSZUPBUNNRNV-GOSISDBHSA-N 456.568 2.393 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@]1(N(C)C)CCSC1 1300511621 MQZWVLZXLOOYGP-XMMPIXPASA-N 469.611 2.481 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCN1CCCCCC1 1300516596 QNAAAICLXPMTQZ-UHFFFAOYSA-N 468.627 2.144 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H](C)N1CCN(CC)CC1 1300577772 BINWJUAPPQWJAZ-QPPBQGQZSA-N 462.598 2.280 30 10 JEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1300731418 FMIUPBUATAUNKU-CALCHBBNSA-N 462.620 2.086 30 10 JEEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1300778596 AKVIVECBTYWMHE-ICSRJNTNSA-N 476.647 2.095 30 10 JEEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC=C(C(F)(F)F)CC1 1300831441 YYYXVQJYCGBRKH-SNVBAGLBSA-N 458.304 2.496 30 10 JEEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cccc(OC)c2)CC1 1301238044 YTVZOHDXUSUDEZ-UHFFFAOYSA-N 454.575 2.442 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc(Cc2ccncc2)n1CC1(O)CCS(=O)(=O)CC1 1301402594 NYKMPIYPKXWECU-UHFFFAOYSA-N 481.622 2.439 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCS[C@H](C)C2)cc1 1301518878 NGLJHKSOSPXOIU-HZPDHXFCSA-N 451.618 2.443 30 10 JEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](CN2CCCCCC2)C1 1301586295 JZUVHPUIQWMCTK-NRFANRHFSA-N 492.690 2.094 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2ccccc2)CC1 1301593912 XNFKHIUNHMGHRG-UHFFFAOYSA-N 469.615 2.067 30 10 JEEE CCNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[S@](=O)C(C)(C)C)CC1 1313995860 HLGQNYCYMRIBFG-YTTGMZPUSA-N 457.604 2.215 30 10 JEEE COC(=O)N1CCC(Cn2c(C(C)C)nnc2N2CCN(c3nccnc3C#N)C[C@H]2C)CC1 1315114509 HJZMLLALWHFRPS-QGZVFWFLSA-N 467.578 2.257 30 10 JEEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCCN(CCC)C(=O)C1 1358928383 ATNFSGXNQFTLTH-UHFFFAOYSA-N 450.591 2.314 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCCc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1358960535 GVQHKVXNPJPUQD-HXUWFJFHSA-N 456.547 2.077 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CCNC(=O)c1ccc(C)c(F)c1 1358992679 SMAVUTZAVCTCAD-UHFFFAOYSA-N 476.512 2.346 30 10 JEEE CC(=O)N1CC[C@H](CN(C)c2nnc(Cc3ccccc3C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1359361515 DZQWOGWHFCSEIF-NZXNHFJFSA-N 491.596 2.008 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCC(C#N)CC2)n1Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 1360192866 HGJLJAROBMGICM-FQEVSTJZSA-N 465.558 2.322 30 10 JEEE C=C[C@@H]1OCC[C@H]1CNC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 1436931151 VBMJDCBGDMYVQJ-KSSFIOAISA-N 457.936 2.356 30 10 JEEE C=C[C@@H]1OCC[C@H]1CNC(=O)CS[C@@H](C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 1451868821 MIUQQHMCLKOWKW-LNLFQRSKSA-N 458.584 2.252 30 10 JEEE C=CCC1(O)CCN(C(=O)c2cc(S(=O)(=O)N3CCN(CC)CC3)ccc2Cl)CC1 1455925312 JTUPRYBARUQXKX-UHFFFAOYSA-N 456.008 2.209 30 10 JEEE N#Cc1ccccc1N1CCCN(C(=O)NCC2CCN(S(=O)(=O)C(F)F)CC2)CC1 1468845085 GMXVFTXSEGSECP-UHFFFAOYSA-N 455.531 2.044 30 10 JEEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCc1cnn(C)c1 1503476141 GJAJDWAQNDQDIK-HXUWFJFHSA-N 453.572 2.055 30 10 JEEE COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(C(=O)N(C)C)CCCC2)CCO1 1504712163 ICCNBMYQKSWOGM-HXUWFJFHSA-N 452.559 2.317 30 10 JEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](CN2CCCCCC2)C1 1507574258 MHKJXBNBRMCGEM-UXHICEINSA-N 450.653 2.394 30 10 JEEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1C[C@H](c1ccc(C)cc1)N1CCOCC1 1507675883 GYIYCXGRURZABQ-JOCHJYFZSA-N 450.587 2.356 30 10 JEEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1507690792 WUJYRZBUVBMHLM-NRFANRHFSA-N 490.587 2.395 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCn1cc(C)cn1 1507701964 QKHBWQACLBPQFM-LJQANCHMSA-N 456.547 2.164 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2C[C@@H]2CCOC[C@H]2OC)CC1 1507739208 AYSOWAYUOHWEIZ-XZOQPEGZSA-N 465.598 2.081 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1507801306 UBCAFJIXWLYWEU-JTJHWIPRSA-N 458.607 2.199 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC(CC(N)=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1507808347 GQVYGSHLARKPJX-IZIIKQMZSA-N 461.607 2.392 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 1507845146 XBDTXHHZHWJMCF-QGZVFWFLSA-N 483.635 2.266 30 10 JEEE C=CC1CCN(c2nnc(Cn3nc(C)cc3C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1507909029 OQJVDQXMJZSFTK-DQRAZIAOSA-N 450.547 2.069 30 10 JEEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1507928487 GMKFYTFVERSTJU-UNMCSNQZSA-N 471.650 2.249 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1C[C@H](C)O[C@@H](COC)C1 1508073618 OFFNMWYWMRRKSE-ZWKOTPCHSA-N 450.543 2.344 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC(F)(F)CNC(=O)OC(C)(C)C)C1 1508110291 ZFIJPAZRYFBTPD-INIZCTEOSA-N 484.548 2.455 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H]1c1cnn(C)c1 1508144271 SSVAXQMPCOEHRQ-NRFANRHFSA-N 481.582 2.405 30 10 JEEE CCN(CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](C(C)C)C1)S(C)(=O)=O 1515706069 GFQXFLUXMVNPLG-HXUWFJFHSA-N 460.604 2.350 30 10 JEEE CN(C)C(=O)CCCn1c([C@H]2CCOC2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1516958624 ADILWZUUCINVLM-QFIPXVFZSA-N 465.602 2.234 30 10 JEEE C=C[C@@H]1OCC[C@H]1CNC(=O)CCc1nc2cc(S(=O)(=O)N3CCCCC3)ccc2n1C 1529258409 NXGVXGIUKAAYCU-UWJYYQICSA-N 460.600 2.388 30 10 JEEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCCN1CCOCC1 1539323350 FNUNQQCBNZBADO-UHFFFAOYSA-N 476.629 2.027 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1C[C@H](c1cccc(C)c1)N1CCOCC1 1539409227 SRIFNUWOAKJHAJ-HSZRJFAPSA-N 461.570 2.203 30 10 JEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccnc(OC3CCOCC3)c2)CC1 1539828377 JKFUTSMAOSNCCX-QGZVFWFLSA-N 476.603 2.046 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCC(N2CCCCC2=O)CC1 1540875651 SWJNYCVPNWWDTE-UHFFFAOYSA-N 482.585 2.149 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C/C=C\c2ccccc2)C1 1540892931 UGZAAFOGIXEOHI-SVCZWAIESA-N 473.599 2.106 30 10 JEEE Cc1nc(N2CCOCC2)sc1-c1nnc(N(C)Cc2ccc(C#N)cc2)n1CC(=O)N(C)C 1542053151 DQDWBISXIMBJDV-UHFFFAOYSA-N 480.598 2.143 30 10 JEEE C=CC[C@@H](C)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2OC)CC1 1543657425 YYCJIPSAYCCBQS-OAHLLOKOSA-N 457.980 2.043 30 10 JEEE COCCNC(=O)[C@@H]1CN(C(=O)c2cccn2C)CCN1c1ccc(C#N)c(C(F)(F)F)c1 1548368094 SBPCKGIUVKGMFK-IBGZPJMESA-N 463.460 2.009 30 10 JEEE CS(=O)(=O)c1ccc(C(=O)N2CCN([C@@H](C#N)c3ccc(Br)cc3)CC2)o1 1565661601 HSZDZVZTYXYJOB-HNNXBMFYSA-N 452.330 2.468 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCS(=O)(=O)CC=C 1587683873 PITIRKOCPCJXGR-ZACQAIPSSA-N 451.593 2.108 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1Cc1ccc(C)n(C)c1=O 1588128092 CAXBCWCLBNUYEM-UHFFFAOYSA-N 481.560 2.193 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccccc3Br)n2C[C@@H]2CC[C@H](CO)O2)CC1 1588791018 KOIWOBFRCNZXFB-DLBZAZTESA-N 460.376 2.003 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)C[C@H]1CC 1589547573 VBGGYJZSPJWHPD-UEDWAMCQSA-N 467.636 2.217 30 10 JEEE C=CCCOCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1594789178 ZHYSZIFIALPMOT-PZJWPPBQSA-N 488.658 2.461 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CSc2ccccc21 1595303266 ORVMJDJVUBANGQ-PKOBYXMFSA-N 493.655 2.139 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C)CNC(=O)OC(C)(C)C)C1 1595720622 AEHFJYVEXTZGLM-KZNAEPCWSA-N 483.635 2.122 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1595798426 PIXGLIWHKALMFJ-UHFFFAOYSA-N 477.553 2.431 30 10 JEEE C=CCSCCn1c(CCc2ccccc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1595895555 MYJPWDPZYXIDQR-IBGZPJMESA-N 454.600 2.455 30 10 JEEE C#CCOc1cccc(NC(=O)NCC[C@@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)c1 1669079299 MULPPTNVZPEBAD-GOSISDBHSA-N 451.545 2.244 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H](C)COC)[C@H]1CCS(=O)(=O)C1 1689977917 HELINXLCWYRRRM-JXFKEZNVSA-N 473.599 2.056 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1CCN1CCCC[C@@H]1CC)[C@@H]1CCS(=O)(=O)C1 1689986894 ZFMHNHZMZHOXAT-VQTJNVASSA-N 456.616 2.231 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1CCSc1ccccc1)[C@H]1CCS(=O)(=O)C1 1689988161 KIPAHLDCONRSNA-KRWDZBQOSA-N 454.581 2.154 30 10 JEEE C#CCN(c1nnc(C2CCCC2)n1Cc1nccc(C(F)F)n1)[C@H]1CCS(=O)(=O)C1 1689989015 AJLVNHFYAAKWQN-HNNXBMFYSA-N 450.515 2.338 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCn1nc(C)cc1C 1690039613 MHTVINMFKSHTLE-UHFFFAOYSA-N 454.542 2.287 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCS(C)(=O)=O 1690075701 RNUMUXCMKZHCPC-QGZVFWFLSA-N 453.609 2.287 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2CCc2ccc(S(C)(=O)=O)cc2)CC1 1690131037 SDXHVANJXXLCRA-UHFFFAOYSA-N 469.636 2.332 30 10 JEEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1690132627 UKESUDQONSVJHB-QFIPXVFZSA-N 450.587 2.179 30 10 JEEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1690163309 AONMRWGOYXBGOB-ZWKOTPCHSA-N 455.584 2.386 30 10 JEEE C=CCN(c1nnc(-c2ccccc2Br)n1C[C@@]1(O)CCS(=O)(=O)C1)C1CC1 1690541024 KFFQSNMMKFBOCY-IBGZPJMESA-N 467.389 2.412 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1690667297 YIDFAIRYVANKHK-GOSISDBHSA-N 486.020 2.034 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Br)s2)nnc1N1CCO[C@H](COC)C1 1690717833 RWEJZNOVJFVDOQ-ZDUSSCGKSA-N 491.433 2.222 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC(Cn2cc(C)cn2)CC1 1690722537 MYIGOZAARGVJQW-UHFFFAOYSA-N 455.588 2.362 30 10 JEEE C=CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCCN(CC)C(=O)C1 1690736721 NCIVNEKQPPKEDH-UHFFFAOYSA-N 492.671 2.173 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCC(=O)Nc1ccccc1 1692780215 CEYGXNMUTRVOJV-IIBYNOLFSA-N 459.576 2.047 30 10 JEEE CO[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1)C(C)C 1697152591 GGDLYDVQSFGGSS-XMSQKQJNSA-N 465.602 2.277 30 10 JEEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(Cc2nc(COC)no2)CC1 1705526169 GMNLKIUEMMOCIJ-UHFFFAOYSA-N 489.378 2.301 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCNC(=O)C1CCC1 1705580250 GESQZKZSKMTTPL-UHFFFAOYSA-N 471.565 2.054 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(C)ccc1OC(F)F 1705589755 VOYHYQPNPXZGDV-MRXNPFEDSA-N 465.526 2.309 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(OC(F)F)c2)n1CCS(=O)(=O)N1CCSCC1 1705606805 GGIHKAQXZVLAOB-UHFFFAOYSA-N 485.582 2.385 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2CC(=O)NCCc2ccccc2)CC1 1705650638 VWXYEWHJPXGYJB-UHFFFAOYSA-N 490.633 2.255 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2CCCSC2)CC1 1705652568 FEGKXGGXYSKZEU-IHPCNDPISA-N 461.632 2.111 30 10 JEEE C#CCSCCn1c(N2CCc3nc(O)c(C#N)cc3C2)nnc1[C@]1(OC(C)C)CCOC1 1705665173 LZJFFNWXKMVZPL-QHCPKHFHSA-N 468.583 2.220 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@](C)(N2CCOCC2)C1 1705693173 CMCZYEYILHDHAR-QVNIBDNGSA-N 474.650 2.479 30 10 JEEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CCOC)[C@@H](CC)C1 1705890690 COVABKDSEHZOTR-RBUKOAKNSA-N 464.611 2.320 30 10 JEEE C=CCNC(=O)Cn1c(N2CCO[C@H](c3ccc(CC)cc3)C2)nnc1[C@]1(OCC)CCOC1 1705909335 UDOYEQNOKOKNSR-OFVILXPXSA-N 469.586 2.373 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCO[C@H](COc2ccccc2)C1 1705932419 TWCSLOXHZVZASZ-FQEVSTJZSA-N 471.583 2.169 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCCN(C(C)C)CC1 1705933739 QJAJGJGDEYGJLG-UHFFFAOYSA-N 477.631 2.484 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1705934273 HQNYUROUEOJYDW-RDJZCZTQSA-N 453.609 2.496 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)CCOC 1705936033 IJJSASHDAQMOLQ-UHFFFAOYSA-N 471.624 2.076 30 10 JEEE CS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCN(CC(F)(F)F)C2)C1 1712691749 BLXUYNZRLFOKAL-FUHWJXTLSA-N 482.532 2.324 30 10 JEEE C#CCN(C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1722347983 TZCZOXAEVXWCJE-RBUKOAKNSA-N 473.599 2.236 30 10 JEEE C#CCN(c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC1(O)CCOCC1)[C@H]1CCS(=O)(=O)C1 1722361300 YTFPPQPQDBIENL-NRFANRHFSA-N 486.638 2.411 30 10 JEEE C#CCN(c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC=C)[C@H]1CCS(=O)(=O)C1 1722365369 DMEXFCFFSJCDCN-ROUUACIJSA-N 463.604 2.205 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2nc(C)cs2)CC1 1722437916 RESBPZHCGMDJJD-GOSISDBHSA-N 487.630 2.155 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2c(C)cc(C)cc2C)CC1 1722440415 GHMMXNCFVJEFGA-UHFFFAOYSA-N 450.587 2.356 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2OC)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1722495345 GQNRAAIDWNYLTE-KNQAVFIVSA-N 496.612 2.108 30 10 JEEE C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1722518647 DGWOSMHDOYEZJY-IBGZPJMESA-N 462.352 2.426 30 10 JEEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1722532879 ZFMXVJZTKWPFHS-CQSZACIVSA-N 484.479 2.103 30 10 JEEE C=C(Cl)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1722546185 VVWDYDWIHGEEDI-OXQOHEQNSA-N 495.049 2.105 30 10 JEEE C=CCCCCn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1722605884 VXYJGJOOGQAOKX-UHFFFAOYSA-N 459.620 2.163 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC2(S(C)(=O)=O)CC2)C1 1722714799 LVGAFOQXVGANMB-KRWDZBQOSA-N 462.572 2.321 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@]2(CCOC2)C1 1722723794 FNDPUHVGYVMUBF-OAQYLSRUSA-N 484.525 2.143 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1722726134 WSOSLRHDXIZQAO-QGZVFWFLSA-N 452.625 2.119 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1Cc1cccnc1OCC(F)(F)F 1723910828 GEAIQMQHLBZRRY-OLZOCXBDSA-N 475.497 2.011 30 10 JEEE Cc1cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC(=O)NCC(F)(F)F)c2ccccc2n1 1724197203 FZDITFOWCVMUET-AWEZNQCLSA-N 459.432 2.209 30 10 JEEE C#CCCCn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)NCc2ccccc2)CC1 1740590077 JCEPLELNDPSMDJ-QFIPXVFZSA-N 450.587 2.024 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1740619663 QKUTZLPGTXKSGU-CQSZACIVSA-N 488.488 2.160 30 10 JEEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1ccccc1OCC(C)C)[C@H]1CCS(=O)(=O)C1 1740623841 BPVSWVHLLYZNMT-NRFANRHFSA-N 499.637 2.110 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CC(C)(C)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1740629260 HLYDYFXOWLTSFM-JYJNAYRXSA-N 478.537 2.217 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccccn3)n2Cc2ccc(OCC(F)(F)F)nc2)CC1 1740693741 LDZAIVYZEDDPOQ-UHFFFAOYSA-N 457.460 2.480 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C[C@H]1COc2ccccc2O1 1740750805 FRZNTNYRZMMFLH-NYUBLWNDSA-N 491.614 2.146 30 10 JEEE C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1740778320 WBXWPAWWXWMCEB-UHFFFAOYSA-N 459.352 2.209 30 10 JEEE C=CCCOCCn1c(N2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)nnc1[C@@]1(OCC)CCOC1 1740888039 HQOAMQJIJFGZSY-BZRIBIQUSA-N 450.580 2.296 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(=O)N2CCCC2)n1CC1(O)CCOCC1 1740915944 ZAVOTEUAAJHJSZ-UHFFFAOYSA-N 455.559 2.257 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H]2[C@@H](C1)C2(C)C 1740992470 QPMVJNOVQZAKRP-KURKYZTESA-N 495.646 2.280 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCCN(C)CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1748809453 SPTGZZRRNAARRN-GOSISDBHSA-N 499.559 2.465 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCN(C)Cc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1748823836 CGCJYGBWXIHIRL-NHCUHLMSSA-N 475.590 2.027 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOc1cccc(C(F)(F)F)n1 1748929076 CJZABQQIYKVLLV-AWEZNQCLSA-N 457.478 2.133 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CC2=CCN(C(=O)OC(C)(C)C)CC2)CC1 1749009468 JHHZZJPQJCNZND-NRFANRHFSA-N 498.628 2.315 30 10 JEEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1749020334 PRGCJMAVKMDSNA-SFHVURJKSA-N 462.664 2.252 30 10 JEEE C=CCC(C)(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC(=O)N(C)[C@H](C)C1 1749355146 BMNHZQSRIMTNQK-QGZVFWFLSA-N 474.631 2.465 30 10 JEEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(CC(F)(F)F)CC1 1749402299 LLZHSKRRHPEEOS-QGZVFWFLSA-N 494.584 2.042 30 10 JEEE C=CCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1749621904 IDCOCZWGZJOXGC-UHFFFAOYSA-N 473.375 2.129 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1749652356 MDVDLFOXLSGTSO-GOSISDBHSA-N 490.543 2.453 30 10 JEEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC[C@@H](c2ccnn2C)C1 1749677247 SVOQGLLYMQKATO-HXUWFJFHSA-N 463.586 2.492 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2CC[C@H](CO)O2)C1 1749697081 ZXLHRQFUHZHJSE-HRCADAONSA-N 452.353 2.357 30 10 JEEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](CC(C)C)N(C)C)CC1=O 1749873119 AGGDVEXYGYTMOH-OAQYLSRUSA-N 453.591 2.088 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1CCCC(=O)NC1CC1 1750965040 BRXUUBWTXGZZDI-UHFFFAOYSA-N 499.019 2.327 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC(=O)N(C)CC)CC1 1760265461 BOQNFYSPQBMQBM-KRWDZBQOSA-N 470.549 2.001 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccc(OC(C)C)nc2)CC1 1760265744 IGAJAENMBPGARH-SANMLTNESA-N 496.612 2.127 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H]2N(C)CCCC2(C)C)CC1 1760269771 OIQZQLYLVAINAE-NHCUHLMSSA-N 456.635 2.258 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H](c2ccccc2)N(C)C)CC1 1760273168 KGTIKXMHRZFSCW-FCHUYYIVSA-N 450.587 2.398 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCS(=O)(=O)N(C)C 1760294403 VUMXBFLUAFYTKP-WZONZLPQSA-N 494.662 2.276 30 10 JEEE C=C(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(CC(=O)Nc2ccccc2CC)CC1 1760341224 LGJRYXIQTFJZMU-UHFFFAOYSA-N 453.591 2.316 30 10 JEEE C=C(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC(CNS(C)(=O)=O)CC1 1760345028 ATZRPQFZPLWXRT-UHFFFAOYSA-N 485.614 2.017 30 10 JEEE C=C(C)COCCn1c(-c2ccccn2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1760354927 RWLSWTVDJZLLHO-UHFFFAOYSA-N 489.627 2.209 30 10 JEEE C=CCCCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1760443747 LNEXTTJBPUCLPS-KRWDZBQOSA-N 454.510 2.494 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(N(C)C)cc1C)C1CC1 1760476693 CXVRVGFNZSNFME-NRFANRHFSA-N 474.631 2.189 30 10 JEEE C=CCNC(=O)Cn1c(Cn2ccc3ccccc32)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1760527064 MGJPIDRTWFMNDW-FQEVSTJZSA-N 463.586 2.324 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 1760556353 AOXCCIXACQMYNM-QGZVFWFLSA-N 473.521 2.412 30 10 JEEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CC(C)(C)OC(C)(C)C1 1760557675 SYJULMPNMUKNIL-UHFFFAOYSA-N 481.644 2.264 30 10 JEEE C[C@H]1C[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N(C)C2CCN(S(C)(=O)=O)CC2)CCO1 1762742486 IAOBDQUNWFKQEH-HKUYNNGSSA-N 472.615 2.492 30 10 JEEE COC[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(c2cc(C#N)ccn2)CC1)OC 1769264099 CUYKSXIBRHSBDA-TUNNFDKTSA-N 483.617 2.451 30 10 JEEE C[C@@H]1CCc2c(sc(NC(=O)CN3CCN(S(=O)(=O)c4ccc(N)cc4)CC3)c2C#N)C1 1858635944 GDRHUIIMTGQADF-OAHLLOKOSA-N 473.624 2.272 30 10 JEEE C=CCNC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)[C@@H]1CC(=O)N(CCc2ccc(OC)c(OC)c2)C1 1861592599 CTETUVMAZQPQEQ-IRLDBZIGSA-N 497.567 2.264 30 10 JEEE O=C(C1=C(O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccc([N+](=O)[O-])cc1)c1cccc([N+](=O)[O-])c1 1862736862 AQXXCXJFQWKERU-FQEVSTJZSA-N 482.449 2.414 30 10 JEEE CC[C@H](NC(=O)CCS(=O)(=O)c1ccc(NC(C)=O)cc1)C(=O)Nc1ccccc1C#N 1866808779 DFXZKKNTCBLYCV-IBGZPJMESA-N 456.524 2.214 30 10 JEEE C=CCN(CC=C)c1nc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)n([C@H]2CCS(=O)(=O)C2)n1 1870004840 NLZUCKNQKAEFCL-KRWDZBQOSA-N 485.566 2.215 30 10 JEEE N#Cc1ccc(COc2cn(Cc3ccccn3)c(CN3CCC(C(N)=O)CC3)cc2=O)cc1 1870350320 ZPDJRHGOBRWDIB-UHFFFAOYSA-N 457.534 2.440 30 10 JEEE CCOc1ccc(/C=N/n2c(CNC(C)=O)nnc2SCC(=O)Nc2nccs2)cc1 1874433293 JJBFYANKSZPEBE-LSHDLFTRSA-N 459.557 2.382 30 10 JEEE C=CCn1c(C(=O)N2CCN(c3ccccc3OC)CC2)cc2c(NCCCO)ncnc21 1875229411 YDCYYGXLEQXXKS-UHFFFAOYSA-N 450.543 2.383 30 10 JEEE C=CCNC(=O)c1nc(C(=O)N2CCC(Cn3cnc4cc(F)ccc4c3=O)CC2)cs1 1890781648 PYWPWGRVQSDOFA-UHFFFAOYSA-N 455.515 2.460 30 10 JEEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)NCC3CCN(S(=O)(=O)C4CC4)CC3)n[nH]2)c1C 1891726005 RQMIKPNDMNMLSH-UHFFFAOYSA-N 460.604 2.400 30 10 JEEE Cc1c(N)cc(Br)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N 2162921263 JSIHOYIDUVUEBR-ZDUSSCGKSA-N 459.366 2.473 30 10 JEEE C#CCC[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 2230859296 QVHFDHUWDUOOKQ-HVMFNXBNSA-N 465.591 2.273 30 10 JEEE CN(CCN(C)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1)C(=O)OC(C)(C)C 2255749986 CDKATUIHLFYICJ-UHFFFAOYSA-N 454.398 2.473 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@]1(C)CCN(C(=O)OCc2ccccc2)C1 2255818659 OEGJFRQLUSTJNT-DEOSSOPVSA-N 468.363 2.250 30 10 JEEE CC(C)(C)OC(=O)N1CC(CO)(CNC(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2255871194 RXHMSYSRYLPZOH-UHFFFAOYSA-N 452.382 2.007 30 10 JEEE CO[C@@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)oc2C)C[C@@H]1NC(=O)OC(C)(C)C 2267501936 FXEQFBNEORQRKO-JKSUJKDBSA-N 450.341 2.251 30 10 JEEE Cc1c(C(=O)N(C)[C@@H](C)CCNC(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2267515314 MKGRNUWMPYFMMI-AWEZNQCLSA-N 450.389 2.403 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CN(C(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)CCO1 2267552097 FEOSKWBVERREFA-HOCLYGCPSA-N 450.341 2.333 30 10 JEEE CC1(C)OB(c2csc(S(=O)(=O)N[C@@H](COCc3ccccc3)CC(=O)O)c2)OC1(C)C 2269040060 XJUVHYFQERXJMB-QGZVFWFLSA-N 481.401 2.386 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2F)[C@H](CO)C1 2281760857 YSZUPIGZSWCTQN-HNNXBMFYSA-N 464.343 2.179 30 10 JEEE Cc1c(C(=O)NCC[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281804387 LGGQOBXBUFWDTI-WKILWMFISA-N 462.400 2.451 30 10 JEEE Cn1nc(C(=O)NC[C@@]2(F)CCCN(C(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2281964750 BVPLDOJSKIKQQU-QFIPXVFZSA-N 466.363 2.188 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@@]2(CCNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2281990756 QZZXJDFEBRKUAH-IQMFZBJNSA-N 460.384 2.476 30 10 JEEE CC(C)(C)OC(=O)N1[C@H](CNC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)C[C@@H]2OCC[C@H]21 2282027686 TXODMHBDQMIDQL-ZNMIVQPWSA-N 479.408 2.339 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@@H](C3CN(C(=O)OC(C)(C)C)C3)C2)n1 2282042408 GUQJHPPIZOOYDC-OAHLLOKOSA-N 460.384 2.048 30 10 JEEE CCn1cc(C(=O)N(OC)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2282051459 UHQZHWIBMTXMJX-OAHLLOKOSA-N 464.372 2.215 30 10 JEEE CO[C@@H]1C[C@@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cn2C)N(C(=O)OC(C)(C)C)C1 2282176471 UFUHCBMRHCMTDN-DLBZAZTESA-N 463.384 2.079 30 10 JEEE CC1(C)OB(c2occc2C(=O)N2C[C@@H](CNC(=O)C(F)(F)F)C3(CCC3)C2)OC1(C)C 2282199407 GCUGRBUQZFMTSA-CYBMUJFWSA-N 456.270 2.500 30 10 JEEE C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CN(S(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282350945 UVJPFZMIYGSYEN-NVXWUHKLSA-N 481.424 2.305 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C(F)(F)C1 2282536245 AAFQSMVUOKVZNU-CQSZACIVSA-N 470.326 2.094 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(C1CCC1)C1CN(C(=O)OC(C)(C)C)C1 2282542850 LPSOKNBXZUKDIR-UHFFFAOYSA-N 460.384 2.333 30 10 JEEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1N(C)C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282550195 VUEZBCMHTQAAEN-WBVHZDCISA-N 462.400 2.437 30 10 JEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CN(Cc3ccccc3)CC(C)(C)C2)n1 2282610691 AHLZSMRBOZDFOR-SFHVURJKSA-N 453.396 2.145 30 10 JEEE C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1NC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2282620340 DGWDOOFUTRINSZ-IAGOWNOFSA-N 453.396 2.001 30 10 JEEE Cn1nc(C(=O)NC[C@H]2C[C@@](F)(CNC(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2282625126 RCBQPAJVDBTMRM-CAJLXGCNSA-N 466.363 2.092 30 10 JEEE CO[C@@H]1CN(C(=O)c2ncc(C)cc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1NC(=O)OC(C)(C)C 2282643701 DUWPRKDWYNJXRU-DLBZAZTESA-N 461.368 2.053 30 10 JEEE CCO[C@@H]1C[C@H](NC(=O)OC(C)(C)C)[C@@H]1NC(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282675711 AQDHDTPMYYMFPD-KSZLIROESA-N 461.368 2.181 30 10 JEEE Cc1nc(NC(=O)[C@@H]2CC[C@H](CNC(=O)OC(C)(C)C)O2)ncc1B1OC(C)(C)C(C)(C)O1 2283955384 LMVKDTHNJMKZKR-ZBFHGGJFSA-N 462.356 2.095 30 10 JEEE COCCCN1C(=O)C(=O)C(=C(O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@@H]1c1ccc(OC)cc1 2296139026 LYKLBSCJPWDGRO-NRFANRHFSA-N 488.562 2.404 30 10 JEEE C[C@]12CC[C@H]3[C@H](CC[C@]4(O)C[C@H](O)CC[C@]34C=NCCCO)[C@]1(O)CC[C@@H]2C1=CC(=O)OC1 2297748583 ZPYOXVKJNQBTTC-MPPNPAEUSA-N 461.599 2.153 30 10 JEEE COC(=O)c1ccc(C=Nn2c(CCc3ccc(OC)cc3)nnc2SCC(N)=O)cc1 2328573893 HEHLGVICNXKEFA-UHFFFAOYSA-N 453.524 2.318 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](C(=O)N1CC[C@@H]2C[C@]2(B2OC(C)(C)C(C)(C)O2)C1)C1CS(=O)(=O)C1 2357506564 IOIJZBHDWFYGOH-MCFFVMPBSA-N 484.424 2.009 30 10 JEEE Cc1cc(C)nc(N/C(=N/C(=S)NCCCN2CCOCC2)NCc2ccc(F)cc2)n1 14156934 RXQIAKKBZMYVHF-UHFFFAOYSA-N 459.595 2.387 30 10 JEEE O=C1C(/C=N/Nc2nc3c(=O)[nH]cnc3[nH]2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 105427085 QXQRFNYUTIJNJM-OPEKNORGSA-N 472.490 2.025 30 10 JEEE NS(=O)(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@@H]2c2ccncc2)cc1 170359099 DVOKAZVKDUYTLS-FQEVSTJZSA-N 479.470 2.241 30 10 JEEE CNC(=O)[C-]1C#CC(N2[C-](S)N(C3=C=C(C(F)(F)F)C(=C=N)C#C3)[C-](O)C2(C)C)=C=C1F 585661667 AMYPWXJCSGKBOX-UHFFFAOYSA-N 461.420 2.458 30 10 JEEE CN(C)S(=O)(=O)c1ccc(C(=O)NC2CCC(OS(=O)(=O)c3ccccc3)CC2)cc1 586507774 BZPPMTJQGVKTEH-UHFFFAOYSA-N 466.581 2.383 30 10 JEEE C[C@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2NN=C2C(=O)N(C)c3ccccc32)C[C@H](C)O1 1083977266 RVKBJXOKBDTVHN-KBPBESRZSA-N 473.511 2.185 30 10 JEEE C#CCn1ccc(CN(CC)C(=O)c2ccc(S(=O)(=O)N(C)C)c(Br)c2)n1 1128570431 MISFGAVDJABUBI-UHFFFAOYSA-N 453.362 2.191 30 10 JEEE CCCC[C@@H](NC(=O)[C@@H](C)NC(=O)C(C)(C)C)C(=O)N1CCN(c2ccccc2C#N)CC1 1136537273 BOJJHYSZPXPGEO-UYAOXDASSA-N 455.603 2.433 30 10 JEEE Cn1cc(CNC(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)c(-c2ccc(C#N)cc2)n1 1138161698 HIFOQONAHXWXHT-UHFFFAOYSA-N 459.478 2.222 30 10 JEEE C=CCOC[C@@H](NC(=O)c1cc(Cl)c(I)cc1OC)C(=O)OC 1139176315 VSRLQTIZOHAZSB-GFCCVEGCSA-N 453.660 2.427 30 10 JEEE C#C[C@H](NC(=O)[C@H]1CC[C@@H](Cn2cnc3c(N)ncnc32)O1)c1ccc(Br)cc1 1141460716 FDOUXJUANOAFEZ-HRCADAONSA-N 455.316 2.209 30 10 JEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCOC[C@@H]1c1nc2ccccc2s1 1155170019 CICAMJRAOSHQDI-KBXCAEBGSA-N 456.549 2.435 30 10 JEEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1286348516 KUQHPSOHUAOLNX-OAHLLOKOSA-N 487.486 2.110 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1CCn1cc(C)cn1)[C@H]1CCS(=O)(=O)C1 1286386149 VMQFEHNVYHMDIC-OALUTQOASA-N 486.573 2.389 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H](Cc1ccccc1)OC)[C@H]1CCS(=O)(=O)C1 1286396169 VQDUDZOELXGCSQ-XZOQPEGZSA-N 479.606 2.148 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CC2(CCOC)CCC2)CC1 1286491609 ZBPCHDGGMKQJCE-UHFFFAOYSA-N 450.587 2.437 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(C)cc2F)CC1 1286494255 KXWHQJBOPSNTCA-UNMCSNQZSA-N 469.561 2.464 30 10 JEEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(c2ncc(F)cn2)CC1 1286499028 NDEWRJBEBCMEIM-UHFFFAOYSA-N 468.518 2.475 30 10 JEEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CC[C@H](CN2CCOCC2)C1 1286535646 JPKQEVZCQNJDAF-IAGOWNOFSA-N 458.401 2.069 30 10 JEEE C=C(C)COCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(CC(C)C)C(=O)C1 1286611213 GUPMHTKNMHIJFR-UHFFFAOYSA-N 482.633 2.349 30 10 JEEE C=CCCOCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@]2(CCOC2)C1 1286705874 GHTSDTFEPQJWBJ-HSZRJFAPSA-N 475.977 2.450 30 10 JEEE C=CCCOCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN(C)C(=O)C1 1286711391 KUOUCJOIXKTGCI-UHFFFAOYSA-N 462.595 2.264 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCOC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1286739981 AJVYLYBECWPBAC-PMACEKPBSA-N 475.615 2.265 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCCO2)n1C[C@@]1(O)CCS(=O)(=O)C1 1286749212 NFGYXHPUVLWMQM-XLIONFOSSA-N 452.602 2.323 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 1286790500 STKGEVVOVHGHBT-UHFFFAOYSA-N 482.585 2.263 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(OC)c(OC)c2)C1 1286809183 HATSWWYQRUBYKA-ROUUACIJSA-N 462.572 2.027 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1286813849 DOYYIQXZUUEDQT-APWZRJJASA-N 496.033 2.324 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1286817057 OQUHMYUEPWSQRN-SFHVURJKSA-N 470.599 2.357 30 10 JEEE CC(=O)NC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2nc(C)c(C)s2)CCO1 1286944384 HOJADFUARGTMPB-FQEVSTJZSA-N 481.582 2.192 30 10 JEEE C[C@H]1CCCN1CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1291136677 BLVDCPXTNDASPZ-FPOVZHCZSA-N 485.658 2.409 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCc1ccccn1)[C@H]1CCS(=O)(=O)C1 1300482634 GUZNMHBEDLWCMF-KRWDZBQOSA-N 489.399 2.300 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1CC1CCN(CCC(C)C)CC1)[C@H]1CCS(=O)(=O)C1 1300491947 JZYNFCUTPVGBGX-NRFANRHFSA-N 485.658 2.120 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCNC(=O)C(C)C)CC1 1300712806 WLOWTSWMRFVBEM-SFHVURJKSA-N 484.576 2.295 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2C#N)CC1 1300870830 AIGPQRUBAMVUPP-UZKOGDIHSA-N 499.641 2.068 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCC)CCC 1300885336 OXQAXLCJHQSSRD-FHWLQOOXSA-N 455.625 2.219 30 10 JEEE C=CCN(c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1CCS(=O)(=O)CC1)C1CC1 1301316210 IFHYIMFOTZLSGA-UHFFFAOYSA-N 493.655 2.175 30 10 JEEE C#CCO[C@H](C)C(=O)NCCN1C(=O)S/C(=C/c2ccc(OC(F)F)c(OC)c2)C1=O 1348582041 FYBKHEDOEQEMLA-PILJQMSFSA-N 454.451 2.487 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1CCCOC(C)C)[C@H]1CCS(=O)(=O)C1 1358957666 YBHBMPLFFWYTML-KRWDZBQOSA-N 498.447 2.488 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCN(CCC)C1)[C@H]1CCS(=O)(=O)C1 1358958236 JXFUAQUQBODOFY-RXVVDRJESA-N 486.598 2.212 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCO[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1358959892 RNSPNUPIHRZLTC-DSKINZAPSA-N 453.568 2.259 30 10 JEEE C#CCN1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCc2cn[nH]c2)CC1 1359034955 HPULSECYGGVXKN-UHFFFAOYSA-N 468.606 2.114 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccn2)nnc1N1CCC(C(=O)NCCOC)CC1 1359095626 PZYFMRZZELUEHW-FPOVZHCZSA-N 454.575 2.300 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN2CCCC(C)(C)C2)C1 1359321689 KJQTZDXNYFFUAK-OALUTQOASA-N 451.637 2.084 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN(C)Cc2ccccc2)C1 1359321880 MYWXUJVPCKOILC-RTWAWAEBSA-N 459.616 2.094 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCn2nc(C)nc2C1 1359327872 NAYNNPAQUDLVAT-HNNXBMFYSA-N 475.550 2.078 30 10 JEEE CC(C)(C)Cc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@H]1CCCN1S(C)(=O)=O 1359540052 GMSNEKJPNUQPSR-JOCHJYFZSA-N 499.685 2.485 30 10 JEEE C=CCSCCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1 1435851381 KFZXUVCRSDPHKM-UHFFFAOYSA-N 453.630 2.347 30 10 JEEE COC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1)OC 1504578570 DBKNKWZGBOFZMD-NRFANRHFSA-N 465.558 2.405 30 10 JEEE COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1C[C@@](C)(O)c1cccc(Cl)c1 1504883787 DPNQPVJZQJVNBI-JOCHJYFZSA-N 460.966 2.442 30 10 JEEE N#Cc1ccc(-c2nnc(N3CCN(CC(F)(F)F)CC3)n2CCC2(O)CCOCC2)cc1 1505315870 CLEIVSYKMUHYKV-UHFFFAOYSA-N 464.492 2.433 30 10 JEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1507556254 GKLIOUPHNXCLEX-XLIONFOSSA-N 456.572 2.141 30 10 JEEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 1507558172 CEFYBTDSCCIKBG-UNMCSNQZSA-N 466.634 2.299 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(F)cc1Cl 1507711475 VDILGCQQXHYBHN-INIZCTEOSA-N 454.955 2.301 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)CC1 1507732643 ITAZBFYSTDBKBR-UFYCRDLUSA-N 476.622 2.013 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCOCC(=C)C)CC1 1507735347 TWFXYPBTUWXFJS-UHFFFAOYSA-N 451.527 2.232 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(OC)c(OCC)c2)CC1 1507738608 SEGTVNZEUNJPFC-UHFFFAOYSA-N 475.553 2.157 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1508074625 RFUMLJOMMHQULB-HSZRJFAPSA-N 474.993 2.210 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2ccc(C)n(C)c2=O)C1 1508120143 ZBHNRWWVIDNOLN-HXUWFJFHSA-N 483.594 2.185 30 10 JEEE CC(C)n1nc(-c2nnc(N3CCC(CC#N)CC3)n2CCS(C)(=O)=O)c2ccccc2c1=O 1509577411 BFLZPBUAWXYWMG-UHFFFAOYSA-N 483.598 2.411 30 10 JEEE CCCc1nc(C)c(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CC(=O)N2CCOCC2)o1 1514371567 FDIWAPOCCFHFPN-UHFFFAOYSA-N 493.568 2.321 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1Cc1cccc(N2CCOCC2)c1)[C@@H]1CCS(=O)(=O)C1 1539201657 BOMLNJIUNUSQLO-DENIHFKCSA-N 471.627 2.303 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H](C)COc1ccccc1OC)[C@@H]1CCS(=O)(=O)C1 1539215749 IAPFGCZASMOKBP-RTBURBONSA-N 496.593 2.086 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1CC(F)(F)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1539220810 LXBXHTNOFPSWMM-WMZOPIPTSA-N 450.511 2.201 30 10 JEEE C#CCN(CCOC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCCn1ccnn1 1539416931 VPUWLADDQRDNGJ-UHFFFAOYSA-N 472.594 2.160 30 10 JEEE C#CCN1CCN(c2nnc(C(C)(C)C)n2C[C@@H]2C[C@H]3COC[C@@H]3N2C(=O)OC(C)(C)C)CC1 1539428166 NKTISLQPIHALKR-UFYCRDLUSA-N 472.634 2.355 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2cc(Br)ccc2F)CC1 1539446188 UAXTUYSHRVOSGX-SFHVURJKSA-N 475.366 2.129 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2CC[S@](=O)C(C)(C)C)CC1 1539484200 GWNFCYPYJBLWMS-HKBQPEDESA-N 461.657 2.443 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1540866249 IABHRVPNROJQQC-UHFFFAOYSA-N 496.612 2.493 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2OCC)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1540875106 BLERMMMZVAVSIC-RUZDIDTESA-N 485.585 2.332 30 10 JEEE C=CC1(CC(=O)NCCNS(=O)(=O)c2ccc(F)cc2F)CN(C(=O)OC(C)(C)C)C1 1556315088 ITPZRBUUUHZPIJ-UHFFFAOYSA-N 459.515 2.173 30 10 JEEE N#Cc1cncc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)c1 1561143903 GYNAUUDOEIGWST-CYBMUJFWSA-N 450.318 2.150 30 10 JEEE C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1ccc(CC(=O)N2CCN(c3ncccn3)CC2)cc1 1562135118 CNRJYHNFZWARTO-RTWAWAEBSA-N 450.543 2.223 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(OCC(F)(F)F)nc1 1588078803 MMUWNWLTXHEVEO-UHFFFAOYSA-N 469.427 2.383 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CCCNC(C)=O)CC1 1588768664 JJBZLDMGCOCTQA-UHFFFAOYSA-N 459.392 2.297 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H](C)Oc2ccc(OC)cc2)CC1 1588877301 YSZIMQKYXBZQFE-QTEQDKRBSA-N 469.586 2.233 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cn(C)c4ccccc34)n2C[C@@](C)(O)CCOC)CC1 1588913385 JESGGTRTPDGYQL-SANMLTNESA-N 478.597 2.190 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H](C)N(C)C2CC2)CC1 1588954797 LXCHPKMHVZFBCD-MRXNPFEDSA-N 455.632 2.082 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(C)(C)C)CC1 1589496763 ZMRJWTGVEKGPFJ-QYZOEREBSA-N 468.668 2.180 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCn2cc(Br)cn2)CC1 1594097128 MKCJOMYZRWUDSC-OAHLLOKOSA-N 469.409 2.386 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC(OCC(N)=O)CC1 1595506724 KPBYKQZBKAQLCT-UHFFFAOYSA-N 467.357 2.025 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1595555940 LBPCQOAYSWJVCM-IBGZPJMESA-N 464.549 2.205 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(C)(C)CN2CCCC2)C1 1595723025 QAIPXZIGHVGIMP-RTBURBONSA-N 451.637 2.084 30 10 JEEE CCCO[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)CC1 1615037062 ALTPULQSDREYNB-NRFANRHFSA-N 482.585 2.373 30 10 JEEE CN(CCN1CCOC(C)(C)C1)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCOC1 1618297761 BGMDPSSRPJQPCE-HXUWFJFHSA-N 454.575 2.312 30 10 JEEE C[C@@H](C#N)CN(C(=O)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1)C1CC1 1624273233 FNVSGEXIZWTTPF-ZDUSSCGKSA-N 456.362 2.234 30 10 JEEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H]2CC[C@@H](Cn3cnc4c(N)ncnc43)O2)cc1 1625682650 ZUWMESRUYSWJIU-RBUKOAKNSA-N 461.526 2.409 30 10 JEEE C#CCn1ccc(CN(CCOC)C(=O)[C@H]2CCN(c3ccccc3Br)C2=O)n1 1626715414 ZPZCZIXPWDGGOO-QGZVFWFLSA-N 459.344 2.307 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@H]1CC(F)(F)CO1)[C@H]1CCS(=O)(=O)C1 1689982340 KWHIIYCSRKGSDP-FUHWJXTLSA-N 466.510 2.005 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1CCOC(C)C)[C@@H]1CCS(=O)(=O)C1 1689997000 UBHYIPYAMBCAJX-QGZVFWFLSA-N 450.536 2.048 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H](c1ccco1)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1689998334 JPMSGUQUDCGFIQ-IRFCIJBXSA-N 475.615 2.432 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2c(F)cc(F)c(F)c2F)CC1 1690110801 ZUJQGVGZHVLWJE-UHFFFAOYSA-N 473.434 2.285 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1690196768 XHZHKAUDGGNABK-UXHICEINSA-N 479.400 2.249 30 10 JEEE C=C(Br)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[C@H](S(C)(=O)=O)C1 1690223058 CPLAZGBJFZIKPM-ZDUSSCGKSA-N 455.334 2.206 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(OC)cc2)nnc1N1CCN(C(=O)COC)CC1 1690253463 QVUOSJVARFZZEZ-CYFREDJKSA-N 485.585 2.142 30 10 JEEE C=C(Cl)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC(=O)N(C)[C@@H](C)C1 1690345701 BALGPZIVWJYKEF-LSDHHAIUSA-N 454.959 2.006 30 10 JEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 1690674092 OSKOAXSSQDORSR-WMLDXEAASA-N 475.619 2.285 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 1690722810 WNPYQOBGCMOKPM-RBBKRZOGSA-N 498.657 2.194 30 10 JEEE COc1cc(C)ccc1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1697242702 GZRKAQPQOWVPMH-GOSISDBHSA-N 489.584 2.158 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(Cc2cccnc2)n1CC1(O)CCOCC1 1698048939 CQYOTTJNYBWITH-UHFFFAOYSA-N 462.554 2.330 30 10 JEEE C#C[C@H](C)N(C)c1nnc(CSc2ccccc2OC)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1705506387 XCPKEMIWNPPRCU-DLBZAZTESA-N 463.629 2.318 30 10 JEEE C#CCCCCn1c(COc2cc(C)ccc2C)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1705520552 YEIAYFDQQZPVPP-UHFFFAOYSA-N 494.640 2.258 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1CCOCCCC)[C@@H]1CCS(=O)(=O)C1 1705563467 YFFOHJOEIKORMN-GOSISDBHSA-N 460.556 2.117 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(OC)c2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1705577302 ZMXFBOBMENXSOU-SFTDATJTSA-N 461.545 2.373 30 10 JEEE C#CCN(CCOC)c1nnc(Cc2ccccc2F)n1Cc1cccnc1N1CCOCC1 1705629476 KAPGVRXQAATGNR-UHFFFAOYSA-N 464.545 2.374 30 10 JEEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCC(CC(=O)N2CCN(CC)CC2)CC1 1705663107 WRILKEKFXZSMHG-UHFFFAOYSA-N 495.697 2.401 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cn(C)c4ccccc34)n2CCS(=O)(=O)N(C)C)C1 1705918928 SUFPKPJCLVKKDC-QGZVFWFLSA-N 458.588 2.110 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](CC)c2ccccc2)nnc1N1CCCN(CC)C(=O)C1 1705930818 WNZIJWBTRWSXBW-HXUWFJFHSA-N 459.616 2.479 30 10 JEEE C[C@@H]1CCC[C@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1708036565 CGMPGEBZGFUBAB-BOCKYXSRSA-N 472.615 2.133 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2Cl)n1CC(=O)NCCC)[C@@H]1CCS(=O)(=O)C1 1722361366 ZGSABZBWZYYFAV-OAHLLOKOSA-N 484.409 2.405 30 10 JEEE C#CCN(c1nnc(COCC)n1Cc1coc(-c2ccccc2)n1)[C@H]1CCS(=O)(=O)C1 1722369530 AOFWKPZWIBJAFA-IBGZPJMESA-N 455.540 2.145 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2CC2(NC(=O)OC(C)(C)C)COC2)CC1 1722444400 JGUMCFPEPAEBIN-KRWDZBQOSA-N 474.606 2.051 30 10 JEEE C#CCSCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1722455988 XLRONIPTGJKBDW-AEFFLSMTSA-N 485.610 2.300 30 10 JEEE C=C(Br)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(C)C(=O)[C@@H]1C 1722483516 HHKAJWVYKBQPBJ-LBPRGKRZSA-N 458.320 2.169 30 10 JEEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1722484411 IABVCJHYFJIIKB-GJZGRUSLSA-N 485.408 2.239 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)c1nccs1 1722517105 HCTCLFNPPNWLLV-JKSUJKDBSA-N 454.622 2.274 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(C[C@@H]3CCCO3)CC2)cc1 1722702622 NOOXDRXCNUNWSP-QFIPXVFZSA-N 468.602 2.330 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)ccc2C)nnc1N1CCN(c2cnn(C)c2)CC1 1722732470 ZMXLGQUWPCAHBG-UHFFFAOYSA-N 499.641 2.135 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCN1CCc2ccccc2C1 1723909065 AMHZERIUONOWFR-ZWKOTPCHSA-N 459.620 2.075 30 10 JEEE CC[C@@H](C)NC(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@](F)(C#N)C1 1727094320 CROXNHRFSVWAQC-PEBXRYMYSA-N 452.494 2.341 30 10 JEEE COC[C@@H](Cn1c(COc2ccccc2F)nnc1N1CCN(c2ccc(C#N)cn2)CC1)OC 1730476595 FYOWHOCVNRZCDK-LJQANCHMSA-N 481.532 2.251 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2F)n1CCNS(=O)(=O)Cc1ccon1 1740541744 GWIJKAIJIFJHFV-CYBMUJFWSA-N 466.926 2.303 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CCCN2CCCCCC2=O)c1 1740561457 FXWIXGXOKNQZKB-UHFFFAOYSA-N 493.612 2.265 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1740617103 MAFLCCKWQXDMMV-WMZOPIPTSA-N 464.563 2.345 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCN(CC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1740619321 NIVIVYTVIOONKI-QGZVFWFLSA-N 497.463 2.393 30 10 JEEE C#CCN(c1nnc(COc2ccccc2OC)n1C[C@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1740628088 NBQKQWXSKSRUMF-RTBURBONSA-N 474.583 2.062 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1Cc1ccccc1CN1CCC[C@H]1CO)[C@@H]1CCS(=O)(=O)C1 1740628372 XHLYIMHDLGOAEL-BJKOFHAPSA-N 499.681 2.108 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(c2cccc(OC)c2)CC1 1740655885 FWOKSRKKTDJFBE-IBGZPJMESA-N 452.580 2.384 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCN(C(=O)OC(C)(C)C)C2CC2)CC1 1740689675 GMRMFERXOCLUMW-UHFFFAOYSA-N 487.649 2.351 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCCN2CCCC[C@@H]2C)CC1 1740693188 UPPCAWWYUDEKRG-WIOPSUGQSA-N 458.651 2.338 30 10 JEEE C#CCN1CCN(c2nnc(-c3noc4c3COCC4)n2C[C@H](NC(=O)OC(C)(C)C)C(C)C)CC1 1740694254 DIDRRUAGWSPUNT-IBGZPJMESA-N 499.616 2.310 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3OCC)n2Cc2cccn(CC)c2=O)CC1 1740700648 YIWVFZYKKHHXGQ-UHFFFAOYSA-N 476.581 2.241 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2CCCNC(=O)C(C)C)CC1 1740703933 HMEDSZFCWXGCRM-UHFFFAOYSA-N 450.587 2.382 30 10 JEEE C=C(Br)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC2(CC1)COC(=O)N2 1740748017 DMUDAVOSBJPHGL-UHFFFAOYSA-N 481.376 2.257 30 10 JEEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1740864210 KFKHPIRXIOUGMF-RBUKOAKNSA-N 496.678 2.098 30 10 JEEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC(c2cnn(C)c2)CC1 1740963003 WMZHHUCQQKRGNG-UHFFFAOYSA-N 463.586 2.492 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC(=O)N(CCOC)C2)C1 1740975957 RPDMJXJLSUUCGO-CTNGQTDRSA-N 450.543 2.093 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N(C)CC(=O)Nc1ccc(C)cc1 1740989681 VHWLDZBDUWGFAG-UHFFFAOYSA-N 454.556 2.324 30 10 JEEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2sccc2C1 1741001830 CUQONIPXHAAKHX-MRXNPFEDSA-N 469.658 2.154 30 10 JEEE Cc1nnsc1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(C)C)C(=O)C1 1742082307 ICPNJJQFQRDUCP-UHFFFAOYSA-N 466.571 2.242 30 10 JEEE Cc1ccc(S(=O)(=O)NCCn2c(-c3cccc(C#N)c3)nnc2N2CCOC[C@H]2C)s1 1742290771 FPFWRMYWJBKNLT-OAHLLOKOSA-N 472.596 2.390 30 10 JEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H](C)CNC(=O)OC(C)(C)C 1748776737 OICCAASGOQKTHO-KRWDZBQOSA-N 490.630 2.426 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1748817354 JMXSQTWICALLMQ-HSALFYBXSA-N 479.691 2.381 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccc(NC(C)=O)nc1 1748882456 SLOJVHAFDCKCNR-UHFFFAOYSA-N 476.562 2.213 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccc(C)cc1)N(C)C 1748891704 DOIAQBBCCOMNEJ-YADHBBJMSA-N 453.612 2.254 30 10 JEEE C#CCN1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CCCN(C)C(C)C)CC1 1748987573 YCJDAJMWJCAYRS-UHFFFAOYSA-N 476.629 2.160 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(Cl)nc2)CC1 1749015983 VNLGJBDQPOZDPU-UHFFFAOYSA-N 466.977 2.202 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2nccc(OC)n2)CC1 1749114468 CUYNJZWRIRPENF-RXVVDRJESA-N 498.632 2.303 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1749131447 SDRDHOXDXRUZJO-RXVVDRJESA-N 478.619 2.098 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1CCS(=O)(=O)CC1 1749149315 ZTAIDMZUFDKIBP-UHFFFAOYSA-N 456.576 2.148 30 10 JEEE CO[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCN(C)C(C)(C)C2)C1 1749180767 GAJRVDNRGRSEGO-JOCHJYFZSA-N 467.618 2.370 30 10 JEEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2cccc(F)c2)C1 1749212905 AUYDJPAKVYTYJB-QFBILLFUSA-N 467.567 2.198 30 10 JEEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(CC(F)(F)F)CC1 1749663669 MLSWRSRDVHGDPL-UHFFFAOYSA-N 461.492 2.423 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C2CC2)C1 1749683619 ZLAQRDJMXDIGDG-RCCFBDPRSA-N 460.579 2.171 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCc2cccc(F)c2)C1 1749713846 ZLNNOWYIHDDRON-RTWAWAEBSA-N 493.605 2.164 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(C=C)CC1 1749724571 LPDFQOVFOVMFPG-UHFFFAOYSA-N 464.613 2.352 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 1749740551 GKEPIFMPNWIASH-PXNSSMCTSA-N 491.570 2.074 30 10 JEEE CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)CN2CCCCC2)CCO1 1750013382 FWFBYSQSUXRTRF-AUSIDOKSSA-N 465.602 2.280 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCCN(C)CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1760186510 CXRXWSHAXWHDRP-DLBZAZTESA-N 477.553 2.031 30 10 JEEE C#CCN(c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCOCC)[C@H]1CCS(=O)(=O)C1 1760188447 PFQRUNURCQMZPR-OALUTQOASA-N 495.646 2.056 30 10 JEEE C#CCN(c1nnc(CC2CCCC2)n1Cc1ccc(NC(N)=O)cc1)[C@H]1CCS(=O)(=O)C1 1760189018 FOOJXIWWUFBCKE-FQEVSTJZSA-N 470.599 2.176 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@]1(C)CN(C2CC2)C1=O 1760208458 CVUDZCUUUNQHDI-VWLOTQADSA-N 478.984 2.335 30 10 JEEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(C)(C)SC 1760247736 NDWKWHOMDPNREI-UHFFFAOYSA-N 450.634 2.466 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCN(CC(F)(F)F)C2)CC1 1760255694 NQEVQXLSAAQGDD-QGZVFWFLSA-N 477.491 2.493 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@](C)(O)c2ccco2)CC1 1760270952 GIENCSWIFGHUTB-SANMLTNESA-N 488.548 2.195 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2ccncc2)CC1 1760270962 GTCSNEWZQICPMD-UHFFFAOYSA-N 469.549 2.332 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2cccc(OC)c2)CC1 1760271065 KMOXDMFYCMXBKO-UHFFFAOYSA-N 492.605 2.292 30 10 JEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1760281818 XTAFSBLQXAFZIT-SJORKVTESA-N 462.620 2.431 30 10 JEEE C#CCSCCn1c(COc2cc(C)ccc2C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1760284571 OFSMSWHPUQQLKK-LJQANCHMSA-N 482.610 2.313 30 10 JEEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2nnc(C(C)C)o2)C1 1760440695 OOVXWHFWPKRRCT-JKSUJKDBSA-N 450.565 2.231 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C)on1 1760484805 LAWCLFBJGVZQKB-HXUWFJFHSA-N 490.561 2.287 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CC(C)C)C1CCCC1 1760555003 UAEPFAKILKNDIT-QGZVFWFLSA-N 458.650 2.186 30 10 JEEE CC(C)CN1CCC[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@](C)(C#N)C2)C1 1761114769 CGMCFOOSIBHFMC-XQBPLPMBSA-N 465.668 2.386 30 10 JEEE C[C@@H]1CCC[C@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1762832209 FGMQGWMGWYBIKQ-HXOBKFHXSA-N 472.615 2.228 30 10 JEEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(Oc2ncccc2F)CC1 1766724884 HJRJCHNSSVUQIB-UHFFFAOYSA-N 499.572 2.338 30 10 JEEE COc1ccccc1SCc1nnc(N2CC[C@@](F)(C#N)C2)n1CC(=O)NCC(F)F 1770536616 DJQHYBINNZLYPU-LJQANCHMSA-N 454.478 2.402 30 10 JEEE COCCN1C[C@@H](Cn2c(Cc3ccncc3)nnc2N(C)Cc2ccc(C#N)cc2)CC1=O 1771128749 GJYLNBZFLZVXTP-QFIPXVFZSA-N 459.554 2.267 30 10 JEEE N#C[C@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2CCNC(=O)c2ccco2)CCO1 1771538623 GABKRBIOQBWFML-KRWDZBQOSA-N 456.890 2.262 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(O)c(O)c2)cc1OC 1862569568 PVZZHONMTGVSMS-JOCHJYFZSA-N 484.505 2.026 30 10 JEEE N#C[C@H](c1cccs1)N1CCC(C(=O)N[C@@H](CO)C(=O)Nc2ccc3nc[nH]c3c2)CC1 1866866442 HMNMSSNVJJBYKM-RBUKOAKNSA-N 452.540 2.017 30 10 JEEE Cc1cc(C)c(Cn2nnc(C#N)c2NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c(C)c1 1870111082 XGWJCNDAIUYNGC-UHFFFAOYSA-N 473.449 2.266 30 10 JEEE CNC(=O)COc1cn(CCc2cnc[nH]2)c(CSc2nc(C)c(C)c(C)c2C#N)cc1=O 1870303555 AGVBQRAKVYDZDF-UHFFFAOYSA-N 466.567 2.423 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)CSc2nc3ccc(C(=O)N4CC(O)C4)cc3[nH]2)nc1C 1872817127 QSFZJGOZQMDVEN-UHFFFAOYSA-N 487.563 2.218 30 10 JEEE C=CCn1c(C(=O)N2CCN(C(=O)OCC)CC2)cc2c(N3C[C@H](C)O[C@@H](C)C3)ncnc21 1873561357 MGKZNLBZHTZIPS-IRXDYDNUSA-N 456.547 2.145 30 10 JEEE COC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1ccc(OC)c(OC)c1 1874337756 NVEAEJKSDZUGLA-GTQIFZCBSA-N 461.544 2.167 30 10 JEEE Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CCC(=O)N1CCC(Oc2ncccc2C#N)CC1 1891350399 GAGUZSWUOJQISE-IBGZPJMESA-N 471.583 2.129 30 10 JEEE N#Cc1ncccc1OC1CN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccc(C(F)(F)F)c2)C1 1891957603 PZPMHHZUPWPNRC-GOSISDBHSA-N 480.468 2.415 30 10 JEEE C=CCNC(=O)[C@@H](C)S(=O)(=O)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 2019017505 RZDKJPBFYRLGAX-QVKFZJNVSA-N 486.546 2.084 30 10 JEEE C=C(Br)CS(=O)(=O)N1CC[C@H](N2CCC(NC(=O)OC(C)(C)C)CC2)C1 2118137012 YYFYZUJOWTUEII-HNNXBMFYSA-N 452.415 2.288 30 10 JEEE CC(C)(C)OC(=O)NOCCCNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2247900997 CMPCRNGWHLYNTA-UHFFFAOYSA-N 462.399 2.172 30 10 JEEE C=C(CS(=O)(=O)N[C@H]1CCOC[C@H]1NC(=O)OCc1ccccc1)B1OC(C)(C)C(C)(C)O1 2247902459 ABRRTVKMLRDUNC-RBUKOAKNSA-N 480.392 2.177 30 10 JEEE CC1(C)OB(c2ccc(CS(=O)(=O)N3CC(NC(=O)OCc4ccccc4)C3)cc2)OC1(C)C 2255795266 UJFGWJHYBQEOLM-UHFFFAOYSA-N 486.399 2.426 30 10 JEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)CCN1C(=O)C1(B2OC(C)(C)C(C)(C)O2)CCC1 2255805402 PLRAATYWQNHDBJ-UHFFFAOYSA-N 458.386 2.412 30 10 JEEE CN(Cc1sccc1B1OC(C)(C)C(C)(C)O1)C(=O)[C@H](CCO)NC(=O)OC(C)(C)C 2256675068 NYCQLQVHJYYSBS-HNNXBMFYSA-N 454.398 2.281 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(CNC(=O)[C@@H](CO)CNC(=O)OC(C)(C)C)s1 2256677380 WVTMRXOWHWZHPB-CQSZACIVSA-N 454.398 2.105 30 10 JEEE Cc1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H](O)C2)sc1B1OC(C)(C)C(C)(C)O1 2267220528 LNSJGDIDQVDMQE-OAHLLOKOSA-N 466.409 2.410 30 10 JEEE CC1(C)OB(c2ccc(S(=O)(=O)N(CCC(N)=O)Cc3ccccc3)c(F)c2)OC1(C)C 2267362307 PSFQZXBUTQPECA-UHFFFAOYSA-N 462.352 2.191 30 10 JEEE Cc1nn(C)c(C(=O)NCCC[C@H](C)NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267519968 JHVCLUFKZYEFTP-AWEZNQCLSA-N 450.389 2.451 30 10 JEEE C[C@H](NC(=O)c1c[nH][nH]c1=NC(=O)OC(C)(C)C)c1nscc1B1OC(C)(C)C(C)(C)O1 2268613450 UGBFMEZMNFJJHT-NSHDSACASA-N 463.369 2.425 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](C(=O)O)N(C(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C1 2282003215 YNVONFNKRXEORG-OCCSQVGLSA-N 481.380 2.025 30 10 JEEE Cn1nc(C(=O)NC[C@@H]2[C@@H]3C[C@@H]3CN2C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2282043313 ITXSFZCELJRCAM-MGPQQGTHSA-N 480.802 2.358 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@H](CNC(=O)c2cc(F)ccc2B2OC(C)(C)C(C)(C)O2)C1 2282401847 XFZYZRLPDXKWGV-MRXNPFEDSA-N 464.343 2.491 30 10 JEEE CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1cc(F)ccc1B1OC(C)(C)C(C)(C)O1 2282402281 CYZOMIHMWCDLHQ-ROUUACIJSA-N 464.343 2.489 30 10 JEEE CO[C@H]1CN(C(=O)c2ccc(F)cc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1NC(=O)OC(C)(C)C 2282410935 YPSRQZUXFFWJMA-ROUUACIJSA-N 464.343 2.489 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1S(=O)(=O)N1CC[C@](C)(NC(=O)C(F)(F)F)C1 2282500293 WUGDGDMVEXTASL-IBGZPJMESA-N 476.326 2.126 30 10 JEEE C[C@H]1CCN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C[C@H]1NC(=O)C(F)(F)F 2282536107 YDQKPQUGPJLJPT-SMDDNHRTSA-N 459.249 2.049 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@@H]1CN(CCO)C(=O)c1occc1B1OC(C)(C)C(C)(C)O1 2282537362 PDTGQHVOZTVGHV-MRXNPFEDSA-N 464.368 2.413 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCc2ccc(NC(=O)OC(C)(C)C)nc2)n1 2282554824 JQLBLDJYFLAUEG-UHFFFAOYSA-N 457.340 2.391 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1[C@H]2CC[C@H]1CN(C(=O)OC(C)(C)C)C2 2282581502 ITIAUYDOTGIZER-HOTGVXAUSA-N 460.384 2.252 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@H](CO)[C@H](NC(=O)OC(C)(C)C)C1 2282595715 XXNNXLIUIWGEDF-HUUCEWRRSA-N 481.424 2.098 30 10 JEEE CC(C)(C)OC(=O)NC[C@@]12CC[C@@H]1CN(C(=O)c1ncc(B3OC(C)(C)C(C)(C)O3)cn1)C2 2282613778 DHBVPUUCVIWCFK-IQMFZBJNSA-N 458.368 2.153 30 10 JEEE CC(C)(C)OC(=O)NC[C@]12CN(C(=O)c3csnc3B3OC(C)(C)C(C)(C)O3)C[C@H]1CCO2 2282629098 RUPIYVHUMFWCNH-PEBXRYMYSA-N 479.408 2.198 30 10 JEEE CC(C)(C)OC(=O)N1[C@H](CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)C[C@@H]2COC[C@@H]21 2282630648 LLYFGCMBLDFUSR-PMPSAXMXSA-N 462.352 2.333 30 10 JEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCN(Cc3ccccc3)CCC2(C)C)n1 2282649317 YPWGOSDQUHZREJ-UHFFFAOYSA-N 453.396 2.241 30 10 JEEE CC(C)(C)OC(=O)NC1(C(=O)N2CCc3sc(B4OC(C)(C)C(C)(C)O4)cc3C2)CC(O)C1 2284059204 FAHKRJDSARPMTK-UHFFFAOYSA-N 478.420 2.350 30 10 JEEE Cc1cnc(C(=O)N[C@H](C(=O)O)[C@H](C)OCc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)c1 2284468674 DSQLKQYMWLLGMM-LPHOPBHVSA-N 454.332 2.478 30 10 JEEE Cc1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H]1COC[C@H]1NC(=O)OC(C)(C)C 2285965206 JDVCZJJSFKNDCZ-QZTJIDSGSA-N 464.343 2.455 30 10 JEEE COc1cc(CNC(=O)COCCNC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2289457675 BDWGJXOTNUISPN-UHFFFAOYSA-N 464.368 2.152 30 10 JEEE CN(C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1)[C@H]1CN(C(=O)OC(C)(C)C)CC1(C)C 2289955739 KNRLAHFIDVNNCU-INIZCTEOSA-N 462.400 2.437 30 10 JEEE CCCN(CCC)C(=O)CSc1nnc(CNC(C)=O)n1N=Cc1cccc([N+](=O)[O-])c1 2330778357 IYNKJKILGCYAIL-UHFFFAOYSA-N 461.548 2.445 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](CNC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)OCC12CC2 2362571041 HVIONAZDILZQBS-AWEZNQCLSA-N 479.408 2.341 30 10 JEEE COc1ccc(CCN/C(=N/C(=S)NCCCN2CCOCC2)Nc2nc(C)cc(C)n2)cc1 14157096 BQYMRRXHVRLZAA-UHFFFAOYSA-N 485.658 2.299 30 10 JEEE CC(C)n1cc(/C=N/Nc2nnc(SCC(=O)Nc3cccc(N4CCCC4=O)c3)n2N)cn1 20921383 IJPMABSXNGRKNB-AUEPDCJTSA-N 482.574 2.073 30 10 JEEE COc1ccc(/C(C)=N/Nc2nnc(SCC(=O)Nc3nc(C)cs3)n2N)cc1OC 21317245 CNNOOUQCECBVDY-SSDVNMTOSA-N 462.561 2.341 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)C(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCCC2)c1 108738392 GQBFZSOMWCTWSA-UHFFFAOYSA-N 468.579 2.229 30 10 JEEE C=CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cc([N+](=O)[O-])ccc2OC(F)F)c1=O 522673984 GPSZMENYJHKMET-UHFFFAOYSA-N 461.446 2.478 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)[C@H](C)[S@@](=O)CC(=O)Nc3ccc(C(=O)O)cc3)cc21 586341908 VSHUOPOEPKCMDS-UUBFPDNSSA-N 470.503 2.255 30 10 JEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2c(OC)ccc3ccccc23)c(=O)n1C[C@@H]1CCCO1 603797235 CCJIZJZJENUTCC-SFHVURJKSA-N 475.570 2.056 30 10 JEEE CC#CC[C@@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 757486919 SJJCLFYBBOCUPW-AOMKIAJQSA-N 450.491 2.259 30 10 JEEE Cc1nn(-c2ccccc2)c(N(C)C)c1C=NNc1nc(SCCN2CCOCC2)n[nH]1 1084480735 ZKPSMFNJCTZRBD-UHFFFAOYSA-N 455.592 2.235 30 10 JEEE N#C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@@H]2COCCN2CC(F)F)CC1 1136703962 GTXPKPOXMWACLI-IRXDYDNUSA-N 457.319 2.124 30 10 JEEE C#C[C@@H](NC(=O)c1ccc(S(=O)(=O)NC[C@H](C)O)cc1)c1ccc(Br)cc1 1159634701 QTFRIPRXBGTVMN-SCLBCKFNSA-N 451.342 2.213 30 10 JEEE C#CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1286340316 XHXWMPJPEBLKDB-UHFFFAOYSA-N 475.553 2.196 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1CCCc1c[nH]nc1C)[C@@H]1CCS(=O)(=O)C1 1286388329 NJTBPBVBEWZMFN-HXUWFJFHSA-N 498.609 2.253 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccc(OC)cc3)n2Cc2cnn(C)c2C)CC1 1286494383 NBJGVLVSLIXCHT-UHFFFAOYSA-N 475.597 2.128 30 10 JEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 1286495224 UCBLXQSYEIEIHV-PZJWPPBQSA-N 484.674 2.133 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccc2OC)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1286559271 VRSYMNUSAYOBDW-LEDOBFOHSA-N 489.642 2.329 30 10 JEEE C=C(C)COCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1286605754 UYOHVPIBIKRQMA-UHFFFAOYSA-N 497.581 2.049 30 10 JEEE C=C(Cl)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(CC(N)=O)CC1 1286630347 SBQGRZMQBZOELJ-MRXNPFEDSA-N 468.986 2.431 30 10 JEEE C=CCCOCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCCN(S(C)(=O)=O)CC1 1286711341 NGHCZXWTFZJVCW-UHFFFAOYSA-N 458.588 2.491 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(C)n(C)c1=O 1286742195 HIRUKKWQGKGADS-GOSISDBHSA-N 495.609 2.008 30 10 JEEE C=CCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1286771588 ZDIPFPVFLHDERJ-UHFFFAOYSA-N 491.390 2.075 30 10 JEEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](c2ccccc2)C1 1286791083 SWUGGDFGAVFTEO-GOSISDBHSA-N 466.567 2.150 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CCCN(CC)C(=O)C1 1286815980 DELNERYTCJYNGC-UHFFFAOYSA-N 451.980 2.258 30 10 JEEE Cc1c(Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CCO[C@H](C#N)C2)cnn1C 1289264451 FSQFPWLFPRRSOJ-MSOLQXFVSA-N 456.551 2.169 30 10 JEEE CCN1CCN([C@@H](C)Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCO[C@@H](C#N)C2)CC1 1296123569 BHPSKVVOXIBLAP-WMZOPIPTSA-N 461.973 2.492 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1cn(C2COC2)nn1 1300581429 SEAGIWUGTUHCBD-IBGZPJMESA-N 494.600 2.067 30 10 JEEE COc1ccccc1N1CC[C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CC[C@@](F)(C#N)C2)C1 1300614507 CWFQVHQBTPGBBP-UZUQRXQVSA-N 455.538 2.393 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccnc2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1300663963 JSSDGJVQTDQZQX-UHFFFAOYSA-N 460.586 2.011 30 10 JEEE C#CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](NC(C)=O)C1 1300763701 RBLVEUYGFHEDAG-MOPGFXCFSA-N 492.646 2.058 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCC1(O)CCOCC1 1300789768 XTNZORNQBCZKTK-HSZRJFAPSA-N 487.626 2.119 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1300868299 CWPGPKMLVGNGFR-XKGZKEIXSA-N 490.586 2.305 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H](OC)C1 1300870568 UNCYFCKZLBTURM-SBHAEUEKSA-N 475.615 2.402 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CC(C)(C)C 1301502421 HRDNZHFLRXBTJW-MRXNPFEDSA-N 450.584 2.371 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN(C(=O)OC(C)(C)C)C2CC2)C1 1301557449 PAUDRVIQKMHWFR-PKOBYXMFSA-N 495.646 2.361 30 10 JEEE C=CCCONC(=O)Cn1c(=O)c2c(ncn2Cc2ccccc2)n(Cc2ccccc2)c1=O 1301632952 JVOXQRZESNAZGD-UHFFFAOYSA-N 459.506 2.080 30 10 JEEE CN(C)C(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)c2ccsc2)CC1 1314636386 HBLURQHQSQUTNE-UHFFFAOYSA-N 493.593 2.231 30 10 JEEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1358919041 QAEDAGFVRRUQCZ-UHFFFAOYSA-N 464.618 2.334 30 10 JEEE C#CCCCn1c(N2CCC[C@H](n3ccc(C(=O)NC)n3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1358936868 ZVLSFAWIHFWQQU-YADARESESA-N 469.590 2.130 30 10 JEEE C#CCN(CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCN1CCSCC1 1359012696 VZRGNMRLTGDRJC-UHFFFAOYSA-N 467.687 2.151 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2Cc2cccn(CC)c2=O)CC1 1359031126 QYPYMVPHCBWECT-UHFFFAOYSA-N 484.402 2.031 30 10 JEEE C=C(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1359118574 QHBKRWLCHXSYDJ-UHFFFAOYSA-N 467.530 2.134 30 10 JEEE C=C(Cl)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](C(=O)OC)C1 1359152422 WNFPMVJAHYVTET-LSDHHAIUSA-N 455.943 2.338 30 10 JEEE C=CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC(NS(C)(=O)=O)CC1 1359287179 QGFFRJJEESUELV-MRXNPFEDSA-N 468.624 2.097 30 10 JEEE C=CCn1c(N2CCN(S(=O)(=O)c3ccccc3C)CC2)nnc1[C@]1(OC(C)C)CCOC1 1359290582 IKUMCTXSXROISX-QHCPKHFHSA-N 475.615 2.324 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC(O)(Cc2ccc(F)cc2)CC1 1359298313 VGAPVCPFXGSCHY-UHFFFAOYSA-N 450.518 2.355 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)CC(C)C 1359328194 WLTFWUXLOFADCD-UHFFFAOYSA-N 468.649 2.240 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(C)C[C@H]1CN(CC)c2ccccc2O1 1359331198 QJKPMKIOMGVTMQ-IBGZPJMESA-N 485.614 2.003 30 10 JEEE Cc1nn(C)c(N2CCN(C(=O)[C@](C)(O)c3ccc(F)c(Br)c3)CC2)c1C#N 1447777441 FUPWZXSXIIPOMU-LJQANCHMSA-N 450.312 2.058 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1nnnn1CC1CC1 1507548069 QXECJOXCKCYOEK-WBVHZDCISA-N 455.567 2.253 30 10 JEEE C#CCCCCn1c(-c2nnc(O)c3ccccc23)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1507560200 FANOMFMJHIBQMB-QGZVFWFLSA-N 464.551 2.024 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCc1ccc(C)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1507632077 JBOMPNDFTVCVIW-NHCUHLMSSA-N 472.611 2.359 30 10 JEEE C#CCN(c1nnc(COCC)n1C[C@](C)(O)c1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 1507636827 DRNAXZXNUNDGHH-KKSFZXQISA-N 466.991 2.002 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CC[C@@]2(CCOC2)O1 1507700708 UPWOYQHLSZFBFF-WGGBDISSSA-N 491.589 2.005 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCO[C@@H]1c1ccccc1 1507711367 UMAYHIQEOBSRCA-YPAWHYETSA-N 472.611 2.434 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1507732037 HNOMICLQWGHOTM-HSZRJFAPSA-N 464.614 2.488 30 10 JEEE C=C(C)Cn1c(N2CCN(c3nc(C)cc(OC)n3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1507836227 BPTMCUYKBSNPMD-HSZRJFAPSA-N 457.579 2.328 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@]1(C)COCCO1 1508042004 QRWPGTUZPYPXMX-IXFSTUDKSA-N 465.595 2.493 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(Cl)s2)C1 1508129036 ZTQPPBDYCVGDHM-GDBMZVCRSA-N 488.035 2.156 30 10 JEEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H]1CC=CCC1 1508160315 FSJVAWQPPFUOTD-QZTJIDSGSA-N 455.650 2.323 30 10 JEEE C=CCSCCn1c(Cc2ccncc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1508164318 IMUXMFHJHOBKLD-UHFFFAOYSA-N 450.634 2.043 30 10 JEEE CC(C)CCN(CCC#N)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1509296713 CEFXKKHTWZBCQH-JOCHJYFZSA-N 456.572 2.133 30 10 JEEE CCCN(C)C[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCCS2(=O)=O)C1 1514617375 AKCOXMNDYUMUKV-HXUWFJFHSA-N 471.631 2.020 30 10 JEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)[C@@]2(C)CN(C(=O)OC(C)(C)C)CCO2)cc1 1534002829 KUHLWMHMTGTTAT-OAQYLSRUSA-N 453.561 2.458 30 10 JEEE C#CCN(C)c1nnc(-c2ccc(Br)s2)n1CCN/C(O)=C1/N=CC=CC1=O 1539158582 DOXIKUNKAWXGLU-ICFOKQHNSA-N 461.345 2.365 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCn1cc(C)cn1 1539326403 VJJRIIDIBUERBU-FQEVSTJZSA-N 467.574 2.255 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CCCc2nnc(C)s2)CC1 1539477582 RKBXMCQDZDGHCR-UHFFFAOYSA-N 464.599 2.407 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2C[C@H](F)COC)CC1 1539484507 RMOIFRKARCYLDW-IBGZPJMESA-N 452.534 2.301 30 10 JEEE C#CCSCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1539524649 LSOGVAYELYBHCP-SFHVURJKSA-N 486.667 2.482 30 10 JEEE C=CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)c1ccccc1 1539939834 KSNNNHUBYFVVGJ-DWLFOUALSA-N 483.642 2.425 30 10 JEEE C=CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1540857656 KPXOLMONCRFUEE-WOJBJXKFSA-N 487.649 2.321 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCCn2cc(Br)cn2)C1 1540881676 PKYYUCRVMYZVQY-KRWDZBQOSA-N 478.395 2.345 30 10 JEEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1540907127 MAUQLJNZEVSTNS-KRWDZBQOSA-N 493.655 2.002 30 10 JEEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)c1ccc(F)cc1 1541803175 DNODCMFTGRGNEJ-APWZRJJASA-N 478.594 2.466 30 10 JEEE CN(CCN1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(N(C)C)CCSC1 1554300969 BVVHLBJDUDSTTP-HSZRJFAPSA-N 455.632 2.022 30 10 JEEE COC(=O)N1CCC(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCO[C@@H](C#N)C2)CC1 1554552359 HOBRALGZEDANLK-IPMKNSEASA-N 460.579 2.404 30 10 JEEE COCCN(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(O)(C(F)(F)F)CC1 1555528703 HLRNTOLQVXWSSQ-UHFFFAOYSA-N 482.507 2.201 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H]1CN(CC(C)C)CCO1 1588315057 ZKDMIOBWCCWVTP-FQEVSTJZSA-N 477.613 2.491 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCOCC1(C)C 1588550595 VMNRSSLUWDCIAO-FQEVSTJZSA-N 489.617 2.070 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H](C)CN2CCN(CC)CC2)CC1 1588848629 JIJUTYQYXRPYDP-QFIPXVFZSA-N 467.637 2.037 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H]2CCCN2CC)CC1 1588877132 WMUDLODTVDBPSE-HBMCJLEFSA-N 471.650 2.288 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2Cc2nncn2C)CC1 1588890880 HLSNBTMLDRBPGU-INIZCTEOSA-N 482.976 2.214 30 10 JEEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1589047662 DWGLRIFCZSSFOE-UHFFFAOYSA-N 456.664 2.040 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1589506320 UWVGJCFSVJILEI-WDSOQIARSA-N 461.544 2.458 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1nc([C@@H](C)OCC)no1 1589528555 HETDUVGSERPSCT-NNFUDEMPSA-N 459.551 2.327 30 10 JEEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1Cc1cccs1 1593746790 NIHBEMZHWRDMGE-AZUAARDMSA-N 495.671 2.477 30 10 JEEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(=O)c2cc(C)oc2C)CC1 1593806430 BBVYDZUOZOZPPM-AWEZNQCLSA-N 485.010 2.249 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H]1c1nncn1C 1595476186 IUNSQGYTTILSKB-QAPCUYQASA-N 454.510 2.329 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)c2cccc(Cl)c2)CC1 1595830325 AAWKRIDJLUZTLQ-LJQANCHMSA-N 494.017 2.346 30 10 JEEE C#CCN(C(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)C1CCN(C(=O)OC(C)(C)C)CC1 1596141752 IJNNLTYBJJLNTH-UHFFFAOYSA-N 455.964 2.462 30 10 JEEE CC(C)(C)NC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(CS(C)(=O)=O)CC2)CC1 1597433557 FCSFEZARDTYVKW-UHFFFAOYSA-N 499.641 2.272 30 10 JEEE C[C@@H]1CCCCN1CCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](C#N)C1 1612771967 CHETWAIYOIIAMN-MSOLQXFVSA-N 457.604 2.263 30 10 JEEE CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOc2ccc(Cl)cn2)CC1 1615937622 BCYOWIUHKIDSHD-UHFFFAOYSA-N 494.987 2.202 30 10 JEEE CS(=O)(=O)[C@H]1CCCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCSC2)C1 1620150314 ANVOTWSXDIOGSA-RXVVDRJESA-N 461.613 2.088 30 10 JEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H](c1ccc(F)cc1F)c1nccn1C 1648467438 GBZWLJAVTZDJRE-ORAYPTAESA-N 459.478 2.143 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1C[C@@H](c1ccc(C)cc1)N1CCOCC1 1689860763 HCTFJUWTAKIBJE-IRLDBZIGSA-N 450.587 2.240 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCC2CCOCC2)c1 1689872135 PFPSECDBJBIHBJ-NRFANRHFSA-N 499.637 2.443 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1CC[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1689982300 KLAYPPUGECKMOI-WBVHZDCISA-N 496.431 2.099 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H](C)Oc1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 1689988130 JULBXPBCSCIJAI-UYAOXDASSA-N 468.583 2.081 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H](c1ccco1)N(C)C 1690013668 YGBMNAMBZFJDLW-FQEVSTJZSA-N 455.522 2.161 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccc(OC)c(Cl)c2)CC1 1690113561 NDETWFGHJNTJPJ-HSZRJFAPSA-N 459.978 2.396 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCOCC(F)(F)C(F)F)CC1 1690146531 PWAFMBDHUDNCPS-INIZCTEOSA-N 475.487 2.403 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1690247548 CAFLPLJHNSIWKA-AVRDEDQJSA-N 474.631 2.105 30 10 JEEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1690299272 LPOPZXQGBLOISF-UHFFFAOYSA-N 493.616 2.191 30 10 JEEE C=C(Cl)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1690333136 XNHYEGKPOOCEFZ-JOCHJYFZSA-N 495.049 2.249 30 10 JEEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H]1c1ccc(OC)cc1OC 1690675369 YJWAPQGRDQXRFL-LJQANCHMSA-N 468.558 2.061 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2CC(=O)NCC(F)F)C1 1690688497 WMIBODWPJZBFDV-CYBMUJFWSA-N 473.322 2.209 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 1690720263 DDADXRWFCQFRSV-QGZVFWFLSA-N 476.603 2.387 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1690720651 OXUVFDGZGQVRSG-GOSISDBHSA-N 471.583 2.192 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCc2nccn2C1 1705481945 PFVRZTNQIRIDQH-ROUUACIJSA-N 467.599 2.112 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCCN2CC)c1 1705506581 BPZXJHPUNVBLKS-RBBKRZOGSA-N 498.653 2.111 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCc1cn[nH]c1)[C@@H]1CCS(=O)(=O)C1 1705561489 ULTATPSSFHQKBR-VQIMIIECSA-N 472.546 2.150 30 10 JEEE C#CCN(c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCC1CC1)[C@@H]1CCS(=O)(=O)C1 1705566506 NVUFYHGOHIFSGC-MOPGFXCFSA-N 493.630 2.013 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CC[S@](=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1705570392 MVNZMNQVHWRCJL-KKIUXKEOSA-N 480.631 2.182 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC2CCCC2)nc1 1705598829 RGGBCMWRKLDXJW-HXUWFJFHSA-N 467.595 2.408 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1705687208 ADEJTYVTXYALOY-CQSZACIVSA-N 490.424 2.146 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1705722430 KUPYKSMVEJDYFC-IBGZPJMESA-N 488.658 2.461 30 10 JEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccnc(C(F)(F)F)c1)C1CC1 1705853898 GRRIFQSVOCRHBX-MRXNPFEDSA-N 486.520 2.228 30 10 JEEE CC(C)N(CCn1c(CN2CCCC2=O)nnc1N1CCN(c2cc(C#N)ccn2)CC1)C(C)C 1706567104 CTEPRBNQKMMTMJ-UHFFFAOYSA-N 479.633 2.113 30 10 JEEE CCC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N(C)CC)CCN1CCOC 1709548999 HQACQOMSIQITIG-NRFANRHFSA-N 453.591 2.232 30 10 JEEE CNS(=O)(=O)CCn1c(-c2cccc(Br)c2)nnc1N(CCC#N)CC1CC1 1711417048 HZSFBYDBDQDGJU-UHFFFAOYSA-N 467.393 2.387 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CC[C@@]2(CCOC2)O1 1722413292 KFSYBTBVGBBAID-IMWIBFENSA-N 475.590 2.384 30 10 JEEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)CC1 1722440012 YEPGRAHIRGKERM-OALUTQOASA-N 471.675 2.277 30 10 JEEE C#CCSCCn1c(COc2ccc(Cl)cc2)nnc1N(C)CC(=O)N1CCOCC1 1722465878 VPFRYEOZGIREEX-UHFFFAOYSA-N 463.991 2.172 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C1Cc2ccccc2C1 1722490953 GBRNERJMOJYKGL-BSIFCXSSSA-N 459.616 2.473 30 10 JEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N(C)Cc1ccc([S@](C)=O)cc1 1722700786 UMEBRJOAPVFRME-HKBQPEDESA-N 458.613 2.310 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1722717291 HRHJSCFWPQNGBL-DOTOQJQBSA-N 466.995 2.056 30 10 JEEE CCCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1728201933 CLQSACHZFPXTQF-UHFFFAOYSA-N 460.586 2.394 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCOC[C@@H]1CCCO1 1740547238 QVPMWGGNDCWBNX-ROUUACIJSA-N 450.543 2.236 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2ccccc2F)n1Cc1cnn(C)c1C)[C@@H]1CCS(=O)(=O)C1 1740616627 DJRMHPFIAKATGM-IEBWSBKVSA-N 486.573 2.274 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccc(OC)cc2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1740643594 LBUIMWHGRQTTIQ-HXUWFJFHSA-N 477.487 2.202 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(NC(=O)OC(C)(C)C)COC1 1740664657 YKZFELGSDCHBBZ-UHFFFAOYSA-N 489.598 2.102 30 10 JEEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1740665755 OUMSVLPYXHBRHK-LJQANCHMSA-N 489.506 2.034 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN(C)CC(F)(F)F 1740677165 QPIVXIBGBMFXJN-KRWDZBQOSA-N 487.523 2.453 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H](C)NC(=O)OC(C)(C)C 1740684600 VZAPGAOPCLCJKT-QGZVFWFLSA-N 495.584 2.191 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCCNC(=O)OC(C)(C)C)CC1 1740692070 GNZYKWRSHBNINM-UHFFFAOYSA-N 482.585 2.386 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(F)(F)c1ccccc1 1740732161 TZEFVJJYAAGEOG-GHTZIAJQSA-N 479.553 2.395 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCCN(c2nc(C)ns2)CC1 1740750062 LASZLXHHXAWINM-ROUUACIJSA-N 474.635 2.274 30 10 JEEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCCN(C(C)=O)C1 1740900162 NBONNKPXWYOECU-RTBURBONSA-N 462.595 2.467 30 10 JEEE C=CCNC(=O)Cn1c(-c2sc3ccccc3c2Cl)nnc1N1CCO[C@@H](C(=O)NC)C1 1740952742 MHJOJDOLMPRKIC-CQSZACIVSA-N 474.974 2.067 30 10 JEEE CCOC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC2CC2)C1 1746581968 GYCAYZNSMPSKSA-LJQANCHMSA-N 451.531 2.058 30 10 JEEE C#CCCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1748702553 LCSNNDWNANMHGL-UHFFFAOYSA-N 454.962 2.329 30 10 JEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C(=O)N(C)c2ccccc2)C1 1748752038 QUKJXJQOVSSIQY-OALUTQOASA-N 455.584 2.083 30 10 JEEE C#CCN(c1nnc(C2(c3ccccc3)CCC2)n1C[C@@](C)(O)CCOC)[C@@H]1CCS(=O)(=O)C1 1748804159 DXQQISFABSOIKU-QPPBQGQZSA-N 486.638 2.162 30 10 JEEE C#CCN(c1nnc(COCC)n1C[C@H](c1ccccc1)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1748823822 CABYCWIZLSSIKK-FGZHOGPDSA-N 471.627 2.278 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1Cc1c(C)nn(C)c1C)[C@@H]1CCS(=O)(=O)C1 1748824002 GYRKZPIGZWFAQR-LJQANCHMSA-N 486.573 2.022 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CCc1nnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1748824266 MQLKSZWSMRBQKX-GOSISDBHSA-N 486.623 2.195 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C 1748825435 WTSIUVPNDNIPPG-KRWDZBQOSA-N 451.531 2.254 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H](C(C)C)N1CCCC1 1748830992 CRDMTYIIZRVRRF-HSZRJFAPSA-N 482.654 2.389 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC(F)(F)F)CC1 1749005900 AFEJOYSSDHQUBP-UHFFFAOYSA-N 451.449 2.490 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N1CCN(C(=O)COC)CC1 1749140161 MYPSIYWTAPUTCZ-JPYJTQIMSA-N 473.549 2.272 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1749147060 YAFXANBXGSSROT-KRWDZBQOSA-N 481.644 2.033 30 10 JEEE C=CCCCn1c(C2CC2)nnc1N1C[C@@H]2[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1749424213 DSCJOAKDFMSLTP-IXDOHACOSA-N 451.593 2.248 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C(CC)CC)no1 1749488468 LLLFKNLTNYOQJH-SFHVURJKSA-N 452.581 2.173 30 10 JEEE C=CCN(CC=C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H](C)CN1CCOCC1 1749573175 MHHPYCBAAQTRIW-LJQANCHMSA-N 463.586 2.339 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1nncn1CC 1749574881 HERJQMCCIWAXJG-QGZVFWFLSA-N 458.567 2.425 30 10 JEEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCO[C@H](c2ccc(Br)cc2)C1 1749679731 AAIQERUYQWFFOI-KRWDZBQOSA-N 464.364 2.457 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2CCS(=O)(=O)C2)C1 1749695680 HGYAROSJADOPMC-HIFRSBDPSA-N 470.393 2.252 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1749698343 TZPVFVNTJWGLLH-XLIONFOSSA-N 497.415 2.039 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCc2c(ccnc2N(C)C)C1 1749724511 KGEHDSLXLJFYED-UHFFFAOYSA-N 477.594 2.441 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(OC)ccc1OC(F)F 1760115669 BKUQJCZPTOZEES-KBPBESRZSA-N 454.499 2.296 30 10 JEEE C#CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CCS(C)(=O)=O 1760160200 BAZNUFARHOXGPE-KRWDZBQOSA-N 453.609 2.287 30 10 JEEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CCc1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 1760180494 GKKFONJGXXFBKR-NFBKMPQASA-N 493.029 2.453 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@]1(C)CCCO1)[C@H]1CCS(=O)(=O)C1 1760182805 MLPRTVYXJJVWTJ-GBXCKJPGSA-N 485.610 2.343 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1CCN(C)[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1760185114 PZFXHVWIJFFUKC-MOPGFXCFSA-N 459.616 2.311 30 10 JEEE C#CCN1CCN(c2nnc(Cc3cn4ccccc4n3)n2C[C@H](CC(C)C)NC(=O)OCC)CC1 1760263321 XCLQWMLTCJWCFN-NRFANRHFSA-N 492.628 2.433 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2Cc2ccc(NC(C)=O)cc2)CC1 1760271961 SYTBWNUXGLQORZ-UHFFFAOYSA-N 471.565 2.236 30 10 JEEE C#CCSCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)CCN1CCOCC1 1760279707 IPKIGSNCXHGCGR-UHFFFAOYSA-N 495.653 2.371 30 10 JEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1760440945 UKMILBQTDWXBCQ-HKBOAZHASA-N 470.599 2.321 30 10 JEEE C=CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1760506192 QCBWCBDQJHTAEA-UHFFFAOYSA-N 478.557 2.390 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H](Oc2ccccn2)C1 1760515100 KVISDGUFCYICKV-MRXNPFEDSA-N 486.374 2.401 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)ccc2Br)nnc1N(C)C[C@H]1CCOC1 1760517073 BIEZTZBRJNTIEQ-CQSZACIVSA-N 464.364 2.491 30 10 JEEE C=CCNC(=O)Cn1c(N2CCN(C3CCCCC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1760529031 UYBZHDPHQDUGRV-DEOSSOPVSA-N 460.623 2.076 30 10 JEEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCSC(C)(C)C1 1760557099 AAICRUXOHNSNPH-UHFFFAOYSA-N 469.658 2.202 30 10 JEEE CC(=O)N(C)C1CCN(c2nnc(-c3ccccc3F)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1760574735 NBSRRDOZCIHAJN-LNVKXUELSA-N 481.532 2.058 30 10 JEEE CC(C)CCN(CCC#N)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(O)CCCC1(C)C 1761077647 DXKFVLDNRTUKKM-XXBNENTESA-N 496.678 2.318 30 10 JEEE CC[C@@H](C)NC(=O)CCn1c(-c2ccccn2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1762041352 CNMQYAOSHHUANQ-QZTJIDSGSA-N 474.573 2.022 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@H]1CCOC[C@@H]1OC 1762288889 DDROVMCJPYZZLK-OFNKIYASSA-N 495.628 2.446 30 10 JEEE CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2nc(C)cs2)CC1 1764564646 AXAFSGBUCZOUFI-UHFFFAOYSA-N 450.572 2.435 30 10 JEEE CCOc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCNC(=O)C(C)(C)C)cc1OC 1767547977 AQSBTYZCMPALQF-QGZVFWFLSA-N 456.547 2.243 30 10 JEEE COC(=O)c1ccc(NC(=O)[C@H](CO)NC(=O)C2CCN([C@H](C#N)c3cccs3)CC2)c(C)c1 1866868542 UYSCOZXMNPOPNB-VQTJNVASSA-N 484.578 2.236 30 10 JEEE O=C([C@@H](Cc1ccccc1)N=C1NS(=O)(=O)c2ccccc21)N1CCN(c2ccccn2)CC1 1869928118 QVPWQDQUEDZVRM-OAQYLSRUSA-N 475.574 2.080 30 10 JEEE CCCCCCCCn1cc(OCC(=O)NCCOC)c(=O)cc1CSc1nnnn1C 1870289065 QWFMNZBMWDXAHI-UHFFFAOYSA-N 466.608 2.166 30 10 JEEE C=CCn1cc(OCC(=O)Nc2cccc(C(=O)OCCCC)c2)c(=O)cc1CN(C)CCO 1870389915 KZNBIFCSQXRUJZ-UHFFFAOYSA-N 471.554 2.433 30 10 JEEE C#CCN(C(=O)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 2059616345 LKSYFMCRYIKHNW-UXHICEINSA-N 464.584 2.136 30 10 JEEE [N-]=[N+]=Nc1c(F)c(F)c(C(=O)NCCOCCOCCOCCOCCC(=O)O)c(F)c1F 2070300930 ODEVEJOIYIKPDF-UHFFFAOYSA-N 482.387 2.456 30 10 JEEE CN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1)[C@@H]1CC[C@@H]1NC(=O)OCc1ccccc1 2247826165 PFSQOKVIRWWNSY-FUHWJXTLSA-N 454.336 2.238 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N[C@H]2CCO[C@H](CNC(=O)OC(C)(C)C)C2)C1 2255188785 BVTJAOIATHTXGH-LLUXXFGUSA-N 451.564 2.482 30 10 JEEE Cc1c(B2OC(C)(C)C(C)(C)O2)csc1C(=O)NC[C@@](C)(CO)NC(=O)OC(C)(C)C 2255597184 HMOBLYPHSICYQX-NRFANRHFSA-N 454.398 2.361 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2csc(B3OC(C)(C)C(C)(C)O3)c2)[C@@H](O)C1 2255705829 AJKQBEYGDABACB-GJZGRUSLSA-N 452.382 2.147 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N(Cc1ccccc1)CC(F)(F)F 2255753164 PWRLZZIGOOLOHJ-UHFFFAOYSA-N 459.299 2.473 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]1NS(=O)(=O)c1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2255934143 XXATYOGQGIPTOH-HUUCEWRRSA-N 456.345 2.069 30 10 JEEE C[C@@H]1CC[C@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)CN1C(=O)OC(C)(C)C 2256617144 HHXOXLOGPHGPIV-OLZOCXBDSA-N 452.386 2.233 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)C(F)(F)F 2256617885 MWCAJEFAUZZPNY-SECBINFHSA-N 466.291 2.043 30 10 JEEE CO[C@@H]1C[C@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)s2)N(C(=O)OC(C)(C)C)C1 2256625019 QVGAJWXBBWMGHG-CHWSQXEVSA-N 453.370 2.405 30 10 JEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)CCN1C(=O)c1csc(B2OC(C)(C)C(C)(C)O2)c1 2267284507 AUTBWUYUOWEBQO-UHFFFAOYSA-N 486.421 2.070 30 10 JEEE C[C@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)C1COC1)c1nscc1B1OC(C)(C)C(C)(C)O1 2268664793 XZEUWUZPLBAGHE-BLLLJJGKSA-N 467.397 2.159 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2COC[C@]2(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C1 2268678870 ANWSUJJJAKRGPU-YEJXKQKISA-N 465.381 2.264 30 10 JEEE C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)C[C@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2268706946 OOQVXATYDUZCFE-HZSPNIEDSA-N 466.413 2.479 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)sc1CN(C)C(=O)[C@@H](CO)CNC(=O)OC(C)(C)C 2268714394 JOJKCWGNRUWFJV-OAHLLOKOSA-N 468.425 2.447 30 10 JEEE CC1(C)OB(c2cccc(C(=O)NC[C@H]3CNCCN3Cc3ccccc3)c2F)OC1(C)C 2281771078 BFSRQAHGVHFISZ-LJQANCHMSA-N 453.367 2.329 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@H](NC(=O)c2cc(F)ccc2B2OC(C)(C)C(C)(C)O2)C1 2281775472 FYLNSPIVZPDDEE-QZTJIDSGSA-N 464.343 2.225 30 10 JEEE Cn1cc(C(=O)N(C2CCC2)C2CN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2281975116 IKPIKIUDOAWBOL-UHFFFAOYSA-N 460.384 2.333 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H]2CCN(C(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)C[C@@H]2C1 2281978382 CAWJFUXEZJFECA-HZPDHXFCSA-N 460.384 2.428 30 10 JEEE CC(C)(C)OC(=O)N1CCN(CCCNC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)CC1 2282013356 IIRCRYFAJDVVPU-UHFFFAOYSA-N 480.440 2.115 30 10 JEEE CCn1cc(C(=O)N[C@@H]2C[C@H]3[C@H]2CCN3C(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2282039252 SCQGYJAXJXSLEZ-UXLLHSPISA-N 460.384 2.330 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)c(F)c2)CCO1 2282323610 DRPMKIDRUCQBBG-AWEZNQCLSA-N 486.371 2.344 30 10 JEEE Cc1nsc(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 2282590967 JLSWRKBPVOKVRW-KKUMJFAQSA-N 481.424 2.145 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@]2(CNC(=O)c3cccc(B4OC(C)(C)C(C)(C)O4)c3)C[C@H]1CO2 2282671034 OMBNAIVFSVCWCH-UUOWRZLLSA-N 458.364 2.494 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1C[C@H]2OCCN(Cc3ccccc3)[C@@H]2C1 2282683076 YDXCDOFLKPJURJ-FGZHOGPDSA-N 451.376 2.050 30 10 JEEE C[C@@H]1[C@@H](C)N(S(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CCN1C(=O)OC(C)(C)C 2282832663 QRGFUYNPCNZGEX-HZPDHXFCSA-N 481.424 2.399 30 10 JEEE COC[C@H](ONC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2283963030 HSSLCZFDYMERMQ-SFHVURJKSA-N 464.368 2.416 30 10 JEEE CN(Cc1csc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)[C@H](F)C1(O)CN(C(=O)OC(C)(C)C)C1 2284055536 VEJKEQVGLDITGS-INIZCTEOSA-N 484.399 2.326 30 10 JEEE COc1ccc(OC)c([C@@H]2C(=C(O)c3ccc(C)o3)C(=O)C(=O)N2CCN2CCOCC2)c1 2296091254 HHDORSPJXPBZFC-OAQYLSRUSA-N 456.495 2.359 30 10 JEEE CCOC(=O)c1ccc(CSc2nnc(CNC(C)=O)n2N=Cc2ccc(O)c(O)c2)o1 2330750037 JVEUJDJJPQZQRN-UHFFFAOYSA-N 459.484 2.270 30 10 JEEE CC(=O)NCc1nnc(SCCCO)n1N=Cc1ccc(OC(=O)c2ccccc2)cc1 2330799056 FVTSAZAFPZSWDF-UHFFFAOYSA-N 453.524 2.490 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H](NC(=O)OC(C)(C)C)C(C)C)n1C 2337270355 KJPZAKXDUDYCHO-HNNXBMFYSA-N 450.389 2.307 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(C(=O)Nc3ccc(B4OC(C)(C)C(C)(C)O4)cn3)CO[C@@H]1C2 2359392297 HPBTTWQTBVAXBM-LNPFQXMTSA-N 459.352 2.392 30 10 JEEE C[C@@H](NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 2362462086 SBEHHLRVNGSYCL-CVEARBPZSA-N 462.400 2.485 30 10 JEEE Cc1c(/C=C2/SC(=S)N(CC(=O)O)C2=O)c(NCc2ccc3c(c2)OCO3)n(C)c(=O)c1C#N 39851537 CMECXOZLJYPASZ-UBKPWBPPSA-N 498.542 2.192 30 10 JEEE COc1ccc2nc(C=NNc3nc4c(c(=O)n(C)c(=O)n4C)n3Cc3ccccc3)ccc2c1 254508915 AZFLWAGCNZQJNB-UHFFFAOYSA-N 469.505 2.485 30 10 JEEE CCN[C@](C#N)(Cn1cnc(I)c1I)C1CC1 384152804 QPOJAKIJQQSVGP-LLVKDONJSA-N 456.069 2.374 30 10 JEEE COC1=C(C/C=C(\C)CCC(=O)OCC[N+]2(O)CCOCC2)C(=O)C2=C(O)OCC2=C1C 575418057 UZOLXAXASMWBQY-SYZQJQIISA-O 450.508 2.482 30 10 JEEE C[C@H](C(=O)c1ccc2c(c1)NC(=O)CO2)[S@](=O)CC(=O)Nc1sc2c(c1C#N)CCC2 586299634 RJRJEMBTRDSFJG-VMTQLHELSA-N 457.533 2.398 30 10 JEEE CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccc(F)cc1F 729668292 FUUKZFNNJVVGPG-UHFFFAOYSA-N 479.512 2.100 30 10 JEEE COc1cc(C=NNc2nnc(SCC(=O)N[C@@H](C)c3ccccc3)n2N)cc([N+](=O)[O-])c1O 1084538113 MEBTUJQANMCATQ-LBPRGKRZSA-N 486.514 2.030 30 10 JEEE C#CCN(C(=O)c1cc(Br)cc(Br)c1O)[C@H]1CCS(=O)(=O)C1 1142046499 AQQOMGLEGVBVEX-JTQLQIEISA-N 451.136 2.180 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CCCc2nccs2)c1 1286309573 NJQCHRCPQMLHTE-SFHVURJKSA-N 463.567 2.375 30 10 JEEE C#CCCCCn1c(N2CCN3CCOC[C@@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1286334548 IRPKNMQKFQFYLR-ZCNNSNEGSA-N 458.607 2.373 30 10 JEEE C#CCN1CCN(c2nnc(CC3CCCC3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)CC1 1286483334 HDPJPQLOQWQPRP-NRFANRHFSA-N 452.578 2.249 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCS(C)(=O)=O)CC1 1286487479 FSOHNHWLSGCARQ-LJQANCHMSA-N 487.626 2.045 30 10 JEEE C#CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCN(CC)C(=O)C1 1286509431 QGUUVLCJZKIRIX-SFHVURJKSA-N 492.646 2.012 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 1286537526 DWWFMDNZMKSXFE-STQMWFEESA-N 466.340 2.222 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN1CCc2sccc2C1 1286568575 VDZGEOAINXBEOW-MRXNPFEDSA-N 452.650 2.411 30 10 JEEE C=CCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1286707942 LFONPKZGUNHNJV-MBSDFSHPSA-N 476.599 2.326 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(Cc2cc(F)ccc2OC)CC1 1286790048 ZHUHTXCIVBKGNX-UHFFFAOYSA-N 479.560 2.036 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)NC(CC)CC)nnc1N1CC(=O)N(C)C[C@@H]1C 1286796872 PAKZJSRKOPVKOW-KRWDZBQOSA-N 454.575 2.477 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1286820931 WAIBIOXQOXPJOI-FQEVSTJZSA-N 479.647 2.002 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1286821592 PVRIPLLWUVXZNX-IBGZPJMESA-N 490.626 2.253 30 10 JEEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCOc1ncccc1F 1288724874 FFVMGHYZEFFKGT-HNNXBMFYSA-N 458.519 2.299 30 10 JEEE CCOc1cc(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)ccc1OCC(=O)OC 1297332997 AAUKNRRQIYANRK-IBGZPJMESA-N 451.479 2.040 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1CCc1csc(CC)n1)[C@H]1CCS(=O)(=O)C1 1300487397 IYNRYJPLFTYRIM-KRWDZBQOSA-N 456.597 2.228 30 10 JEEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1CC(=C)Br)[C@H]1CCS(=O)(=O)C1 1300504850 UQRMLIXMNMLZTN-INIZCTEOSA-N 495.399 2.401 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCN1CCN(C)C(C)(C)C1 1300619410 XLDPFBPTFKCMFV-UHFFFAOYSA-N 476.629 2.160 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccccc3Br)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1300692782 MVAGNQKXVZVYBZ-IERDGZPVSA-N 460.376 2.003 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2CCc2ccc(O)cc2)CC1 1300732207 ZEOXTDWVVKWDCO-UHFFFAOYSA-N 492.605 2.184 30 10 JEEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1300741377 VIYQXCMXTKZJBA-HNNXBMFYSA-N 482.429 2.029 30 10 JEEE C#CCSCCn1c(COc2ccc(C)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1300770215 PRESILULGDKCAI-SFHVURJKSA-N 463.629 2.002 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(C(=O)N[C@H](C)CC)c1 1300780487 REBBHVQNFLXFIW-NXMSCROESA-N 486.642 2.457 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CCCC(=O)NC 1300870761 WAJUCCNRIDAHSN-RXVVDRJESA-N 475.615 2.292 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCOC[C@H]1OC 1301338319 VRSIWWZPSTXYJW-HLAWJBBLSA-N 455.559 2.482 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCc2ccc(Br)cc2C1 1301475531 VKESYYXJJALDGT-UHFFFAOYSA-N 461.364 2.044 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1301478470 LNAMDRQZWGYRHB-MJGOQNOKSA-N 472.977 2.169 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(NC(=O)N(C)C)cc2)C1 1301554410 GGDTYUCBUQOAIK-RTBURBONSA-N 453.547 2.152 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1301577499 PBXLVASIHBLJQS-XMMPIXPASA-N 473.643 2.409 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCc2nc(O)c(C#N)cc2C1 1301578060 RAVCLBBZYJULKL-UHFFFAOYSA-N 468.514 2.220 30 10 JEEE CS(=O)(=O)NCCn1c(CC2CCCC2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1302500369 GQANTJCAAXJJKQ-UHFFFAOYSA-N 472.615 2.479 30 10 JEEE N#Cc1cccc(-c2nnc(N3CCC(OCC(N)=O)CC3)n2CCOc2ncccc2Cl)c1 1316528310 BTYJUQCSDGXBCG-UHFFFAOYSA-N 481.944 2.415 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCCN2CC)c1 1358900547 MSZCPUZUFVAPLA-OAQYLSRUSA-N 486.580 2.466 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1[C@@H]1C[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1358957237 RNTQKCDEAAZJFF-BPLDGKMQSA-N 452.378 2.254 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1OCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1358958298 KZGXXKWTBYSFFX-RBUKOAKNSA-N 473.555 2.295 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1cccc(COC)c1)[C@H]1CCS(=O)(=O)C1 1358962162 LRAWEXCIFHGVBE-LEWJYISDSA-N 458.584 2.341 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)nc2)n1CC1(N2CCOCC2)CC(OCC)C1 1358973400 QKNNDNPNWXEKKX-UHFFFAOYSA-N 468.989 2.336 30 10 JEEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@H]1CCN(CC)C1 1358981824 YVBLPMICMRFTBH-XMMPIXPASA-N 459.642 2.057 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(CC)CC)n1C[C@H](C)CN1CCN(CC)CC1 1359063572 XTYSNFYHRMYYHQ-CJFMBICVSA-N 457.667 2.462 30 10 JEEE C=C(Br)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(CCOC)[C@H](C)C1 1359086705 GKMTYPHGCMDMFH-OAHLLOKOSA-N 483.436 2.335 30 10 JEEE C=CCSCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@@](C)(C(N)=O)C1 1359337510 UJWMYIXUKKJTHH-OAQYLSRUSA-N 477.660 2.168 30 10 JEEE C=CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1359340929 FVAPIGORWUEZTI-WBVHZDCISA-N 450.634 2.365 30 10 JEEE C[C@H](CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1)N1CCCCC1 1360508455 CDVYSFPLGIQKTP-TZIWHRDSSA-N 493.678 2.006 30 10 JEEE N#Cc1ccc(N2C[C@@H](C(=O)Nc3nc4c(s3)CS(=O)(=O)CC4)CC2=O)cc1Cl 1436699284 GBDQIDUXSNKTHF-NSHDSACASA-N 450.929 2.131 30 10 JEEE C#CCOc1ccccc1CNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 1456447057 FVHXRHYVYBRZBW-SFHVURJKSA-N 457.508 2.324 30 10 JEEE C=CC[S@](=O)(=NC(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccccc1 1456899082 WGAJFVFHWPBZBX-MCXNKVOTSA-N 452.598 2.336 30 10 JEEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1 1467928609 HFYHZTQFHSGSRC-OAQYLSRUSA-N 452.511 2.226 30 10 JEEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCCCCC2)CCN1S(C)(=O)=O 1505280320 BTHAYRQEULBHOW-IBGZPJMESA-N 471.631 2.163 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3noc4c3COCC4)n2CCCOC)c1 1507550042 SSCORSPZILFTFB-UHFFFAOYSA-N 450.499 2.099 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1CCN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1507632861 BAQHRCUYFDMPRM-JOCHJYFZSA-N 455.628 2.290 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2Cc2cc(C(C)(C)C)no2)CC1 1507735803 HNCSYKAYZJNEQL-KRWDZBQOSA-N 472.590 2.302 30 10 JEEE C=C(Br)Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1507785733 PZTRWZQCOJXCDD-UHFFFAOYSA-N 467.412 2.046 30 10 JEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 1507842452 APLJTPFLBBVKIT-QGZVFWFLSA-N 458.588 2.154 30 10 JEEE C=CCN(CC=C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCCS(=O)(=O)C1 1508015456 XCDSDRFQISKGRW-QGZVFWFLSA-N 464.613 2.352 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC(C)(C)N2CCOCC2)C1 1508117121 SXFUXHMBORQRNW-YKSBVNFPSA-N 463.623 2.211 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC2(O)CCS(=O)(=O)CC2)C1 1508131054 KJVWKPYDPVWQLZ-HXUWFJFHSA-N 490.626 2.195 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Br)n1CC1(C)COC1)[C@@H]1CCS(=O)(=O)C1 1539212752 XRNGUSGPTXXHKQ-OAHLLOKOSA-N 479.400 2.371 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CC[C@@H](F)C2)CC1 1539489174 RIYAZZUZOJOMQB-FUHWJXTLSA-N 472.590 2.374 30 10 JEEE C#CCSCCn1c(C2CC2)nnc1N1C[C@@H](C(=O)OC)[C@H](CNC(=O)OC(C)(C)C)C1 1539510171 FVKFERLJVBIDRN-IAGOWNOFSA-N 463.604 2.272 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)CCCC 1539632900 VQKZIDPCPYXBGB-FHWLQOOXSA-N 455.625 2.219 30 10 JEEE C=CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2CCOC[C@@H]2C1 1539966410 JDVDNXBHXVDGAL-VQTJNVASSA-N 476.622 2.464 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 1540867142 MBQNGGHHCYDFSX-SJLPKXTDSA-N 498.584 2.368 30 10 JEEE CC(C)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCN2CCCO)[C@@H](C)C1=O 1541557623 IFXQPYITTUBXKF-REWPJTCUSA-N 479.629 2.357 30 10 JEEE CNC(=O)[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CC12CCN(C(=O)c1ccncn1)CC2 1548378090 RTILAHNUGXOIHU-SFHVURJKSA-N 472.471 2.472 30 10 JEEE N#Cc1ccc(N2C[C@@H](C(N)=O)[C@H](C3CCN(C(=O)Cn4cccn4)CC3)C2)cc1C(F)(F)F 1548397251 AZLZOWHFFAHJIA-RBUKOAKNSA-N 474.487 2.250 30 10 JEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](CC)[C@H](c2ccc(C)cc2)n2cncn2)c1 1566470815 ZGFSXWMFLWARPV-YADHBBJMSA-N 451.552 2.296 30 10 JEEE C=CCn1cc(CNC(=O)[C@H](CCSC)NC(=O)c2ccccc2Br)nn1 1570505480 GRGBGXXUSDOQOY-INIZCTEOSA-N 452.378 2.395 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccccc1CN1CCC(O)CC1)[C@H]1CCS(=O)(=O)C1 1588029444 IAVUKUGXLWXWBL-QFIPXVFZSA-N 499.681 2.207 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 1588035667 WQTNLOJWESRYAV-KNQAVFIVSA-N 479.002 2.259 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H](c2ccsc2)N(C)C)CC1 1588864392 DHFGSSLZIWNJFI-LJQANCHMSA-N 483.667 2.389 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](CC)c3ccccc3)n2C[C@@]2(C)CN(C)C2=O)CC1 1588890931 IVKVMCZLRDJPSN-HFZDXXHNSA-N 462.598 2.264 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCCCOC)CC1 1588930240 QTWKJCNQIDHEPG-NRFANRHFSA-N 453.543 2.183 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1589731740 UWSHAGMBBCDFRN-JKSUJKDBSA-N 469.633 2.029 30 10 JEEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1594003600 FFROZLQNQZIGTF-ICSRJNTNSA-N 464.014 2.427 30 10 JEEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCCN(C(=O)c2ccsc2)CC1 1594783997 NXDPBAJIHOSVCP-UHFFFAOYSA-N 460.604 2.423 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1nccs1 1595083731 FBECSPWSBKCINY-HNNXBMFYSA-N 457.585 2.457 30 10 JEEE C=CCNC(=O)Cn1c(N2CC[C@H](C)N(Cc3ccccc3)CC2)nnc1[C@@]1(OCC)CCOC1 1595602026 DDJXPRFBMBOQEQ-HFZDXXHNSA-N 482.629 2.333 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)C[C@@H]1CCCO[C@@H]1c1ccccc1 1595788634 FBEUNGILLJIUJI-JAXLGGSGSA-N 487.626 2.434 30 10 JEEE COc1ccc(S(=O)(=O)N2CC(NCc3cn(CCC#N)nc3-c3ccncc3)C2)cc1 1621232131 BEUASOCRBGSBHR-UHFFFAOYSA-N 452.540 2.030 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)CO[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)[C@H](C#N)C1 1629505970 CJENEGPPLXSWDA-IAGOWNOFSA-N 452.552 2.374 30 10 JEEE COc1ccc(C(=O)N2CCN(C)CC2)cc1NC(=O)N1CCc2c(sc(N)c2C#N)C1 1668486190 GGIIXVOGUSCGMW-UHFFFAOYSA-N 454.556 2.188 30 10 JEEE C#CCOc1ccc(CNC(=O)N2CCC([C@@H]3OCC[C@H]3NC(=O)C(F)(F)F)CC2)cc1 1682742101 AKIPOYRDDZRFAV-MOPGFXCFSA-N 453.461 2.456 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1CN1CCCCC1 1689826003 GRSCLPJOPNGOFW-RBUKOAKNSA-N 458.632 2.380 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CSCCS2)c1 1689870180 DUTPGROSOFQPSB-ROUUACIJSA-N 470.624 2.134 30 10 JEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCc2ccccc2)CC1 1689892515 HLIZXRKIVGEIBS-QFIPXVFZSA-N 455.628 2.348 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1Cc1csc(COC)n1)[C@@H]1CCS(=O)(=O)C1 1689991648 AWXFCKAPOTWTLT-GOSISDBHSA-N 489.598 2.286 30 10 JEEE C#CCN(c1nnc(COc2ccccc2CC)n1C[C@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1689997211 XRNWXWKRFZFGSD-WMZHIEFXSA-N 460.600 2.207 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@](C)(O)c1ccco1)[C@H]1CCS(=O)(=O)C1 1689998088 BIEZBOSPGQBCEO-KKIGLAAZSA-N 490.626 2.324 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@]2(C)CCCS2)CC1 1690137865 KRDCJVKHAVFCRE-PKTZIBPZSA-N 461.632 2.182 30 10 JEEE C#CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1690177245 OUMURGHUWXSKDN-UHFFFAOYSA-N 479.585 2.195 30 10 JEEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1690178668 DJIMYXLDALVXLP-LJQANCHMSA-N 472.615 2.360 30 10 JEEE C#CCSCCn1c(N2CC[C@H](Cc3cnn(C)c3)C2)nnc1[C@]1(OC(C)C)CCOC1 1690186443 QHTGMZCKQXBJNS-XXBNENTESA-N 458.632 2.488 30 10 JEEE C=C(C)Cn1c(COc2ccccc2OC)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1690295588 CTFZOHQGPKRSIH-UHFFFAOYSA-N 454.575 2.186 30 10 JEEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1690485113 LXENCSMWHMHOFE-CQSZACIVSA-N 453.506 2.169 30 10 JEEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1690509166 YNGIUFBPHCOYLR-LJQANCHMSA-N 493.605 2.415 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CC(=O)NCC(F)(F)F)C1 1690699311 CNFFQYFPYBIQQA-RHSMWYFYSA-N 467.448 2.250 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1690720147 ZQFJDWKSHNBQLN-MOPGFXCFSA-N 476.599 2.426 30 10 JEEE CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCC[C@@H](O)C1)[C@H]1CCS(=O)(=O)C1 1695566946 ASNOIXCLOVQRDW-HSALFYBXSA-N 473.599 2.293 30 10 JEEE COc1cc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCC(=O)N2CCCCCC2)cc(OC)c1OC 1697256412 GYBZSDCBGFBBNN-LJQANCHMSA-N 498.584 2.492 30 10 JEEE COCCN(CCC#N)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCOC[C@H]1C 1698060294 BDPXNVTYNDVYGM-QZTJIDSGSA-N 465.558 2.231 30 10 JEEE C#CCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1705526032 CNPHSSCYLJFVFL-KRWDZBQOSA-N 458.469 2.433 30 10 JEEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1705539822 DCOAQMYJIJGVRA-ROUUACIJSA-N 480.635 2.234 30 10 JEEE C#CCN(C)c1nnc(COc2cc(C)ccc2C(C)C)n1CC1(O)CCS(=O)(=O)CC1 1705556039 IXUIGWOPVUZEFQ-UHFFFAOYSA-N 460.600 2.298 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@H](CC(C)C)N(C)C)[C@H]1CCS(=O)(=O)C1 1705569381 GNWQYIVAENTZAH-PMACEKPBSA-N 478.688 2.237 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](C)N(CC)CC 1705583303 UYQRMTBSIPEVAD-PMACEKPBSA-N 458.607 2.390 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cn(C)c3ccccc23)n1CCS(=O)(=O)N1CCSCC1 1705595366 PNSMXZWERFMSPQ-UHFFFAOYSA-N 496.662 2.278 30 10 JEEE C#CCN(CCOC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC(F)(F)Br 1705622525 KLSADFGEYGHQPE-MRXNPFEDSA-N 451.312 2.392 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1CC(=O)N1CCN(c2ccccc2)CC1 1705624168 SHQBDASHFSPKLF-UHFFFAOYSA-N 493.999 2.428 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@H](C)N1CCOCC1 1705626882 MHRCZSNVRCHQLM-HXUWFJFHSA-N 493.612 2.043 30 10 JEEE C=C(Br)Cn1c(N(C)CCNC(=O)C(C)C)nnc1[C@]1(OC(C)C)CCOC1 1705690871 KBMFQYTVBMAUBJ-IBGZPJMESA-N 458.401 2.436 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCCN(CC(C)C)C2)CC1 1705768960 FCRRRGUZGOYOKA-SFTDATJTSA-N 480.679 2.135 30 10 JEEE C=CCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1705831723 AMVXXIJHVUSLPW-HSZRJFAPSA-N 471.583 2.336 30 10 JEEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2ccc(Br)cc2)C1 1705887099 OGYQQQQVBDZGKE-CJNGLKHVSA-N 470.393 2.415 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCC(C(=O)N2CCCC2)CC1 1705906744 NLUJIMFVFZSSBZ-UHFFFAOYSA-N 482.585 2.007 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCO[C@H](c3ccc(F)cc3)C2)nnc1[C@]1(OCC)CCOC1 1705939063 RARAEEKXCJILLT-REWPJTCUSA-N 494.589 2.248 30 10 JEEE CN(CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1)C(=O)OC(C)(C)C 1711207779 BELWVQGKCUUIDP-IBGZPJMESA-N 480.573 2.240 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCc1ccc(S(C)(=O)=O)cc1 1722275055 BWZKNCZPOQUIAC-MBSDFSHPSA-N 460.600 2.423 30 10 JEEE C#CCN(c1nnc([C@H](C)OCCOC)n1CC1CCC(F)(F)CC1)[C@H]1CCS(=O)(=O)C1 1722367450 WELAIXVPDPSFLP-WMZOPIPTSA-N 474.574 2.454 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2CC[C@](C)(CC)O2)CC1 1722434781 ZWXSGOBSXBHGNP-YKSBVNFPSA-N 471.627 2.452 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)CCNS(C)(=O)=O 1722506378 MICWYZHYZFVAHI-RXVVDRJESA-N 485.614 2.097 30 10 JEEE C=C(Cl)Cn1c([C@H](C)OCCOC)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1722543528 QOKKTBCXIQVZPT-KPFFTGBYSA-N 469.030 2.134 30 10 JEEE C=C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCOCCS(C)(=O)=O)CC1 1722562821 MRGMLQRXCQBGOM-UHFFFAOYSA-N 450.561 2.180 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1722691200 OZNVDTGJUXJUDB-KDOFPFPSSA-N 471.493 2.129 30 10 JEEE CC(C)(C)S(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccccc2C#N)CC1 1723017798 CCFVSMRWFBODSF-LJQANCHMSA-N 472.615 2.194 30 10 JEEE C[C@@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCN(CC(F)(F)F)C1 1726447591 COUJUKINYUPAGV-AEFFLSMTSA-N 491.518 2.280 30 10 JEEE C#CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCCN(C(C)=O)CC1 1740582984 JWJUCZASYKLOTK-UHFFFAOYSA-N 457.604 2.019 30 10 JEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1CC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1740624588 KCPUIEBPFUUTEW-NRFANRHFSA-N 472.611 2.125 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1ccc(F)c(COC)c1)[C@H]1CCS(=O)(=O)C1 1740627333 PPARKVTZRJETNC-ICSRJNTNSA-N 476.574 2.133 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2ccccc2F)n1CCC(=O)N1CCOCC1 1740649224 OWQRLHZFRDJFKZ-IBGZPJMESA-N 453.518 2.269 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1noc(CC)n1 1740671821 PNWWXSKXIBLQTB-INIZCTEOSA-N 459.551 2.234 30 10 JEEE C#CCN(CCOC)c1nnc(COc2ccc(C)c(C)c2)n1C[C@@H]1CCCS(=O)(=O)C1 1740688476 QSDIZQSSLHIXHS-FQEVSTJZSA-N 460.600 2.385 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCCN2CCOCC2)CC1 1740689651 CCWHQWYONZVLJS-HXUWFJFHSA-N 456.566 2.035 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cccc(C(C)(F)F)c2)CC1 1740696101 MDWRCXRDCSWNAF-GOSISDBHSA-N 463.554 2.095 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCc2cn[nH]c2)CC1 1740707900 UVISQCPZNQBWNF-WOJBJXKFSA-N 453.591 2.128 30 10 JEEE C=C(Br)Cn1c(COc2ccccc2OCC)nnc1N1CCS(=O)(=O)CC1 1740748349 DTTVTZKEQIYOEO-UHFFFAOYSA-N 471.377 2.399 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C(=O)NCCCC)CC[C@H]1C 1740810484 CWJDPOKEUMFILN-IXDOHACOSA-N 458.028 2.454 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CC[C@@H](OCCOC)C1 1740955081 WNNFXPWNPPWPSC-CYBMUJFWSA-N 470.393 2.313 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CC(=O)N(CCOC)C2)C1 1740975958 RPDMJXJLSUUCGO-FPOVZHCZSA-N 450.543 2.093 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1740987236 CVZYYKNDZKRLSO-GOSISDBHSA-N 476.599 2.329 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(CC)Cc1c[nH]c2ccccc12 1740991442 WTNMAUOXCWMMKR-LJQANCHMSA-N 456.572 2.338 30 10 JEEE C#CCCCn1c(-c2cccc(Br)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1748735402 RRHLQKGACRKYQW-UHFFFAOYSA-N 459.392 2.331 30 10 JEEE C#CCCCn1c(CCc2ccc(OC)cc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1748757739 JGNJHSRCHZYGLL-UHFFFAOYSA-N 450.543 2.006 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CCC(CC(N)=O)CC1 1749658360 JRGUCWNPRMNWBG-UHFFFAOYSA-N 467.393 2.163 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@@H](C)[C@@H]1C 1749730689 NAIHKRIWLYMWBH-CVEARBPZSA-N 466.633 2.074 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CC(=O)N(CCOC)C1 1760113053 PJRDLCMEBOZCIR-SLFFLAALSA-N 488.633 2.345 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1cccc(C)c1)N1CCOCC1 1760117521 PYIZABQZFKTGEN-BVSLBCMMSA-N 471.627 2.020 30 10 JEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1Cc1cnn(C)c1C)[C@H]1CCS(=O)(=O)C1 1760180342 CKMVSQKQWKEGMT-IBGZPJMESA-N 458.975 2.315 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H](C)Oc1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1760189113 NQLPTCCXFLTCGU-ZWKOTPCHSA-N 469.567 2.376 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@H]2CCN(CC)C2)CC1 1760258082 GJWQXTJBRYHWFO-FQEVSTJZSA-N 452.603 2.449 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC2(O)CCCCCC2)CC1 1760272822 ABEZBIHQMJDFGQ-SFTDATJTSA-N 473.618 2.053 30 10 JEEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H]2CCCCCC[C@@H]21 1760281489 NITAZYPATVKFBA-QYZOEREBSA-N 467.661 2.136 30 10 JEEE C=C(C)COCCn1c(-c2ccc[nH]2)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1760354758 MDWTVNVSQVHJPO-NHCUHLMSSA-N 469.634 2.492 30 10 JEEE C=CCCCCn1c(COCC)nnc1N1C[C@@H]2[C@@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1760429522 GBTUJIYQDBCHIQ-SQNIBIBYSA-N 483.635 2.297 30 10 JEEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)Nc1cc(F)cc(F)c1 1760440243 FERXQAOEUJTMRI-CQSZACIVSA-N 453.515 2.500 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H]1c1cnn(C)c1 1760514823 GFWFDLHFKKLFON-INIZCTEOSA-N 459.352 2.413 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@]2(CNC(=O)C2)C1 1760527670 FEUMUQJSGXBARJ-NRFANRHFSA-N 479.368 2.183 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CC(=O)N(C)[C@H](C)C1 1760550965 OWLXIMWQOYSUDD-HZPDHXFCSA-N 477.656 2.399 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1760556837 RKCSBTYIZPHHPF-MOPGFXCFSA-N 461.632 2.397 30 10 JEEE CC(C)(C)c1nnc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCNC(=O)CC2)s1 1760721713 BIHQPVAQSZLKOX-UHFFFAOYSA-N 466.571 2.252 30 10 JEEE C[C@H](CC#N)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCN1CCOCC1(C)C 1761362540 CZISCHYPHZMVCY-LJQANCHMSA-N 467.622 2.301 30 10 JEEE CS(=O)(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC2CCOCC2)CC1 1770348836 FOTHYQALWJPDPW-UHFFFAOYSA-N 458.588 2.151 30 10 JEEE COCCn1cc(Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CC[C@@](F)(C#N)C2)cn1 1771121523 GHELSPVBACYWQI-HSZRJFAPSA-N 466.521 2.480 30 10 JEEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1862484595 RZZARNZJKIUBSU-OAQYLSRUSA-N 481.461 2.389 30 10 JEEE C=CCN(CC=C)C(=O)[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1)c1ccccc1 1868596660 UFAGJYPVMOAICC-XMMPIXPASA-N 496.633 2.294 30 10 JEEE N#Cc1nnn(Cc2cc(Cl)cc3c2OCOC3)c1NC(=O)CCN1C(=O)c2ccccc2C1=O 1870107645 RSFRREHEWUSTMD-UHFFFAOYSA-N 492.879 2.343 30 10 JEEE COc1ccc(CCN2C[C@H](C(=O)Nc3c(C#N)nnn3Cc3ccccc3)CC2=O)cc1OC 1870109222 NOSCEBJSOMFFME-LJQANCHMSA-N 474.521 2.245 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)COc2nonc2C(=O)NCCc2ccc(C)cc2)nc1C 1872706812 PPGHILHNEDYJMM-UHFFFAOYSA-N 485.522 2.476 30 10 JEEE NC(=O)CSc1nnc([C@H]2CC(=O)N(Cc3ccccc3)C2)n1/N=C/c1ccccc1[N+](=O)[O-] 1874210309 PYSOBMYKBUFWPY-PKOLSWDWSA-N 479.522 2.162 30 10 JEEE N#Cc1ncccc1OC1CN(C(=O)c2ccc(CNS(=O)(=O)c3cccc(F)c3)cc2)C1 1891830543 VUNXUYUDMIAXFU-UHFFFAOYSA-N 466.494 2.474 30 10 JEEE CC1(C)OB(C=C2CCN(S(=O)(=O)CCCN3C(=O)c4ccccc4C3=O)C2)OC1(C)C 1981324039 PRCWQLJOSVNBQW-UHFFFAOYSA-N 460.361 2.266 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C2C[C@H]3[C@@H](C2)C31C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2185037485 GSJNPHRNTDIFAE-PLNVMGSISA-N 456.352 2.264 30 10 JEEE CC1(C)OB(c2cscc2S(=O)(=O)N[C@H]2[C@@H]3CN(Cc4ccccc4)C[C@@H]32)OC1(C)C 2255795637 WQMSRBSSYJNUNG-YRWFTTLQSA-N 460.430 2.456 30 10 JEEE C[C@@H](O)CN(CCNC(=O)c1ccsc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2255808887 PMXCPQDBDMHKQG-CQSZACIVSA-N 454.398 2.395 30 10 JEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NCC1(NC(=O)OC(C)(C)C)COC1 2255826543 QHIJOEDQAVPAKH-UHFFFAOYSA-N 452.382 2.379 30 10 JEEE C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc(B2OC(C)(C)C(C)(C)O2)ccc1Cl 2256622758 LJRLXJFKDSLHII-BXUZGUMPSA-N 455.748 2.247 30 10 JEEE CC(C)(C)OC(=O)NC1(C(N)=O)CCN(C(=O)C2(B3OC(C)(C)C(C)(C)O3)CCC2)CC1 2267002345 YAAFNUQYQBAOBK-UHFFFAOYSA-N 451.373 2.374 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C[C@@H]1CO 2267137725 PATOZUPNWGFTMK-ZBFHGGJFSA-N 466.409 2.395 30 10 JEEE CCON(CCNC(=O)OC(C)(C)C)C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2267177958 VUIHFQBZTMHOQP-UHFFFAOYSA-N 453.320 2.438 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2occc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1CCO 2267182028 ANANYBBXDBBPCB-HNNXBMFYSA-N 450.341 2.023 30 10 JEEE CCO[C@@H]1C[C@H](NC(=O)OC(C)(C)C)[C@@H]1NC(=O)c1occc1B1OC(C)(C)C(C)(C)O1 2267493739 MOLFBSDIXQPNEU-XHSDSOJGSA-N 450.341 2.379 30 10 JEEE C=C(CS(=O)(=O)NC1(CNC(=O)OC(C)(C)C)CCN(C)CC1)B1OC(C)(C)C(C)(C)O1 2267721000 DFGULLJCHRYLDF-UHFFFAOYSA-N 473.445 2.083 30 10 JEEE CCO[C@H](CNC(=O)OC(C)(C)C)CC(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2268640992 KRUSFJFUPVWBPU-AWEZNQCLSA-N 469.413 2.378 30 10 JEEE C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2269692909 MXUDGARFKIGNIF-SUMWQHHRSA-N 452.332 2.015 30 10 JEEE Cc1c(C(=O)N2C[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281988019 GQOUWCSQPWGFKX-BGYRXZFFSA-N 450.392 2.232 30 10 JEEE Cc1c(C(=O)N[C@@]23CC[C@@H]2CN(C(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281992128 KBDZFCRQEJHQJV-IQMFZBJNSA-N 460.384 2.157 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2C[C@H]2[C@@H]1CNC(=O)OC(C)(C)C 2282012532 XGHXJIMDPLKUFR-XHSDSOJGSA-N 460.384 2.013 30 10 JEEE Cn1cc(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 2282035029 PLWNNSBOYFSMII-ARFHVFGLSA-N 460.384 2.237 30 10 JEEE C[C@@H]1C[C@@H](CNC(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2282038552 JZSPNWOGLVOGHQ-CVEARBPZSA-N 462.400 2.485 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@]2(CCCN2C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2282187613 KZJHYMWUQJTOST-QHCPKHFHSA-N 458.368 2.391 30 10 JEEE Cn1cc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC3(CC3)C2)nc1B1OC(C)(C)C(C)(C)O1 2282551620 FEWBHPCNCWVMKO-OAHLLOKOSA-N 460.384 2.239 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)C[C@@]12CCOC2 2282624832 ZMFBFBSJWGYUMS-NPMXOYFQSA-N 462.352 2.477 30 10 JEEE C=C(CS(=O)(=O)NCC1(O)C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2282879151 PTWPLLSGHQZRMX-AQKKSAQBSA-N 486.440 2.386 30 10 JEEE COC[C@H](ONC(=O)OC(C)(C)C)C(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)ccc1F 2283946358 MQQVFNXIZGABDR-KRWDZBQOSA-N 468.331 2.212 30 10 JEEE COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1NC(=O)[C@H]1C[C@H](O)CN1C(=O)OC(C)(C)C 2283966696 YADSATWXASHARG-DOTOQJQBSA-N 462.352 2.303 30 10 JEEE CC(C)(C)OC(=O)NCCOCC(=O)N1CCc2cccc(B3OC(C)(C)C(C)(C)O3)c2C1 2283991177 OWONAXYZNQEXNX-UHFFFAOYSA-N 460.380 2.412 30 10 JEEE CC1(C)OB(c2cnc(NC(=O)[C@@](C)(NC(=O)C(F)(F)F)C(F)(F)F)c(F)c2)OC1(C)C 2284015125 JFBGAHOKYZHPPU-OAHLLOKOSA-N 473.154 2.458 30 10 JEEE COc1ccc([C@H]2C(=C(O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN2CCOCC2)cc1 2297744190 ACDCCZUFTXDRNZ-QHCPKHFHSA-N 480.517 2.220 30 10 JEEE Cc1scc(C(=O)N2CC(O)(CNC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2320445639 KPMOPHZWEYRNGH-UHFFFAOYSA-N 452.382 2.067 30 10 JEEE COCCc1nnc(SCC(N)=O)n1N=Cc1ccc(OC(=O)c2ccccc2)c(OC)c1 2331265885 LVZHJLMVOVDFSP-UHFFFAOYSA-N 469.523 2.154 30 10 JEEE CC(C)(C)OC(=O)N1CC2(CCC[C@@H]2C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2339607731 ILDPLKCHNZZDRM-CYBMUJFWSA-N 464.397 2.235 30 10 JEEE C[C@H](C(=O)N1CC[C@@H](B2OC(C)(C)C(C)(C)O2)C1)N1CCN(C(=O)OC(C)(C)C)CC1=O 2342542673 CQUFJTSITHTIKM-HZPDHXFCSA-N 451.373 2.149 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC23CC(CN2C(=O)OC(C)(C)C)C3)n1C 2362335421 KPFLGLKDRGZVNS-UHFFFAOYSA-N 460.384 2.157 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(CC(=O)Nc4ccc(F)cc4)CC3)cc2C1=O 15093712 OLXCFMSGYMUTJM-UHFFFAOYSA-N 450.470 2.004 30 10 JEEE Cc1nn(CCO)c(C)c1/C=N/Nc1nc(SCCC(=O)Nc2ccc([N+](=O)[O-])cc2)n[nH]1 59888133 OHKSJSJADLJPSZ-RGVLZGJSSA-N 473.519 2.085 30 10 JEEE CCCCCCCCO[C@@H]1O[C@H]([C@H](COC(C)=O)OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 110346233 YQYGIWWSRQRBBQ-AHJNKEMKSA-N 460.520 2.447 30 10 JEEE CC(C)[C@H](NC(=O)CN1CCN(S(=O)(=O)c2ccccc2C#N)CC1)c1ccc2c(c1)OCCO2 510314600 LQXOJJCDPOASOE-VWLOTQADSA-N 498.605 2.149 30 10 JEEE C=CCN(Cc1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 521726742 IQXUMZHDEIVKBF-UHFFFAOYSA-N 451.526 2.412 30 10 JEEE CN(Cc1csc(B2OC(C)(C)C(C)(C)O2)c1)S(=O)(=O)CCN1C(=O)c2ccccc2C1=O 704370905 BGTVEAGANCYHGF-UHFFFAOYSA-N 490.412 2.105 30 10 JEEE N#CC(C(=O)c1ccccc1)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccc(C(N)=O)cc1 729672265 GFJPNXCEXGMAKI-UHFFFAOYSA-N 491.532 2.032 30 10 JEEE CC(C)(O)CC[C@H](O)[C@@](C)(O)[C@H]1CC[C@]2(O)C3=C/C(=N\O)[C@H]4C[C@H](O)[C@H](O)C[C@@]4(C)[C@@H]3CC[C@@]12C 1074744264 CBQFTGKSOCYQEV-ZJHYBJDHSA-N 495.657 2.115 30 10 JEEE CC1(C)CC(NC(=O)CSc2n[nH]c(NN=Cc3cc([N+](=O)[O-])ccc3O)n2)CC(C)(C)N1 1083889745 VFEUDRLQYJOUPR-UHFFFAOYSA-N 476.563 2.382 30 10 JEEE COC(=O)c1ccc(C=NNc2nc(SCCC(=O)Nc3ccc4c(c3)C(=O)NC4=O)n[nH]2)cc1 1084098766 FCYRBMCGJCBYDU-UHFFFAOYSA-N 493.505 2.042 30 10 JEEE COC(=O)c1ccc(C=NNc2nc(SCC(=O)NCc3ccc(OC)c(OC)c3)n[nH]2)cc1 1084496253 XAIFLWLRSHCFFG-UHFFFAOYSA-N 484.538 2.463 30 10 JEEE C=CCn1ncc2ccc(NC(=O)CN3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)cc21 1157640414 QZOMAITZYCLYOT-UHFFFAOYSA-N 453.568 2.476 30 10 JEEE CCN(C[C@H](C)C#N)S(=O)(=O)N1CCN(CCCc2nc(-c3cccs3)no2)CC1 1185389317 FJYGFYSZEHVPHM-MRXNPFEDSA-N 452.606 2.075 30 10 JEEE C=CCO[C@H]1CCN(CC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2OCC)C1 1192500402 IJBUWMYYMDFNPY-SFHVURJKSA-N 451.589 2.475 30 10 JEEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1NC(=O)OC(C)(C)C 1286360225 DSXLKSUGAFPNPZ-HNNXBMFYSA-N 462.576 2.353 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1nccc(C(F)F)n1)[C@H]1CCS(=O)(=O)C1 1286396496 VSOPEKSWNGIJOJ-AWEZNQCLSA-N 452.531 2.269 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@H]1NC(=O)CC1(C)C 1286410121 WTIJTTORUFISBB-HXUWFJFHSA-N 471.565 2.053 30 10 JEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@H](c1ccccc1)N1CCOCC1 1286416666 UMROHTXVISFHKA-JOCHJYFZSA-N 488.617 2.416 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCCc2nc3c(s2)CCCC3)CC1 1286469772 KVVJZGBDHKDHKE-UHFFFAOYSA-N 455.632 2.140 30 10 JEEE C#CCSCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(CC)[C@@H](C)C1 1286496157 ACFKOTMASRMNNH-KRWDZBQOSA-N 475.688 2.443 30 10 JEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(OC2CCCC2)CC1 1286496353 QZHZYQKIKZQVEB-INIZCTEOSA-N 455.650 2.183 30 10 JEEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCN(CCN2[C@H](C)CC[C@H]2C)CC1 1286606795 AVQKQKFUPHFCAJ-NHCUHLMSSA-N 456.639 2.266 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNC(=O)C(C)C 1286741789 KAYWEHTVDJFZIX-FQEVSTJZSA-N 470.599 2.017 30 10 JEEE C=CCn1c(Cc2ccccc2C)nnc1N1C[C@@H]2[C@H](C1)[C@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1286775897 MHWCYWAHWBYBHC-VAMGGRTRSA-N 487.626 2.490 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(Cc2ccccc2)C[C@H]1C 1286820396 KWSWLLCNYZUUKT-IRLDBZIGSA-N 473.643 2.484 30 10 JEEE CCC[C@H](C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@H]2C1 1293849486 BRRZSDAOIMNUAW-QFBILLFUSA-N 451.531 2.010 30 10 JEEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCNC(=O)OC(C)(C)C 1300456307 YVTXEVMAWDWLHH-UHFFFAOYSA-N 451.531 2.176 30 10 JEEE C#CCN(c1nnc(-c2ccc(Br)cc2)n1C[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1300483454 LRVZLZVJVFLICV-QAPCUYQASA-N 479.400 2.371 30 10 JEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1CC1([S@](C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1300499419 RHZAMNHWHQXLPN-PBYQXAPXSA-N 481.043 2.060 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(C)nc1 1300671451 IZTCZURMDRYLNJ-HXUWFJFHSA-N 470.574 2.424 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1CCC(=O)N1CCCCC1 1300672047 ULAWQAZHYKGTFR-OAQYLSRUSA-N 453.543 2.279 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](C(CC)CC)N2CCOCC2)CC1 1300703360 HKWJVEGWHXYXAX-DEOSSOPVSA-N 465.646 2.156 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2C[C@@H]2COCCO2)CC1 1300711890 JODMUWKUDCVYFE-DYESRHJHSA-N 487.988 2.453 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H](C2CC2)N(C)C)CC1 1300712380 QPCYDGLVZPTTLI-HSZRJFAPSA-N 491.640 2.453 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@]2(N(C)C)CCSC2)CC1 1300715862 GQAAVOKAWOECRR-VWLOTQADSA-N 482.654 2.357 30 10 JEEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 1301196635 GNULAQSAQGREHO-CVEARBPZSA-N 456.613 2.300 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(Cc2cc(F)ccc2OC)CC1 1301499632 CUBZRYOCYJVPFJ-OAQYLSRUSA-N 472.565 2.292 30 10 JEEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)c2ccco2)CC1 1301624652 XGUNQSOZRGXXBV-HKUYNNGSSA-N 461.588 2.477 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2=O)C1 1312616871 PCQPWMWTPXVKGV-NSHGMRRFSA-N 450.580 2.221 30 10 JEEE CCS(=O)(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2ccn(C)n2)CC1 1314504198 CJDPWMGXUMWWLX-UHFFFAOYSA-N 453.572 2.196 30 10 JEEE COc1cc(Cn2c(C(=O)N3CCCC3)nnc2N2CCC[C@](C)(C#N)C2)ccc1OCCO 1315310517 BQXJWTHAOOQGGK-XMMPIXPASA-N 468.558 2.072 30 10 JEEE COC[C@@H](Cn1c(-c2ccccc2OC)nnc1N1CCN(c2ccc(C#N)cn2)CC1)OC 1315797141 FDWHSJAOENKMRT-LJQANCHMSA-N 463.542 2.208 30 10 JEEE C#CCN(CC)c1nnc(-c2cc(OC)ccc2Br)n1CCC(=O)N1CCOCC1 1359002610 GOUXBPFHTNWXAZ-UHFFFAOYSA-N 476.375 2.425 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ccc(O)cc2)CC1 1359047982 AFLLBJTURQDNPV-UHFFFAOYSA-N 463.567 2.324 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](C(N)=O)C1 1359103855 UOTPUKWZPZOGRT-CNNODRBYSA-N 450.543 2.412 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1CCN1CCN(C)C(C)(C)C1 1359281886 LUBIMHMWWCNZSB-JOCHJYFZSA-N 470.618 2.455 30 10 JEEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(c2cc(OC)cc(OC)c2)CC1 1359287827 YDNLZNSUFZBZKB-KRWDZBQOSA-N 461.588 2.100 30 10 JEEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@@H](C(F)F)C1 1359293544 SYABNAVERYBZLG-OAHLLOKOSA-N 481.573 2.330 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCN2CCC(O)CC2)C1 1359315132 ORHWIVXKGYTHRF-NRFANRHFSA-N 456.547 2.481 30 10 JEEE C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCS(C)(=O)=O 1360759969 FKCSQLPWJQICRM-YOEHRIQHSA-N 453.952 2.235 30 10 JEEE CC#CC[C@H](CO)NC(=O)NC[C@H]1CCCN1Cc1ccc(I)cc1 1469956278 MVDLGSSRLKYTPA-QZTJIDSGSA-N 455.340 2.329 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CC1(C(C)C)CC1)[C@H]1CCS(=O)(=O)C1 1507637992 NSBMDCOAGQHIGV-FHWLQOOXSA-N 450.605 2.065 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@@H]1CCOC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1507641242 ZUUGJYIYSPZYKR-QYZOEREBSA-N 476.574 2.296 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1-n1nc(C)cc1C 1507669081 HHPWUBIWLPQHNU-JOCHJYFZSA-N 476.606 2.494 30 10 JEEE C=C(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 1507827635 YUQZEKUXGYWASZ-KRWDZBQOSA-N 469.011 2.446 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1508072002 ALVIAHCTAUAJDG-INIZCTEOSA-N 459.982 2.284 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 1508083890 DOENSNUQSCIFFE-IBGZPJMESA-N 469.590 2.402 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CC=C(c2ccc(O)cc2)CC1 1508131978 SSRMUWASHGWXDR-UHFFFAOYSA-N 459.572 2.016 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCC(NC(=O)c2ccccc2)CC1 1508143409 GRUPAHVTFNNWGC-UHFFFAOYSA-N 494.621 2.264 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1508148331 RKELGYNSQZWQPU-GOSISDBHSA-N 469.608 2.035 30 10 JEEE CNC(=O)C(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(Cn2cncn2)CC1 1517440606 ICVDEKBRZHPFAV-UHFFFAOYSA-N 477.573 2.009 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1CC1(N(C)C)CCC1)[C@@H]1CCS(=O)(=O)C1 1539221112 YLYFCXHMIZPXRR-LJQANCHMSA-N 459.591 2.119 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC[C@@H](C)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 1539230670 OSCRRMZMVRXZDA-IRLDBZIGSA-N 487.674 2.031 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCn1cc(Cl)cn1 1539304618 CNGTZUHHCZORJG-UHFFFAOYSA-N 456.959 2.362 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc([C@@H](C)O)cc2)CC1 1539470205 ZEZQHHKVEFEAAP-HRFSGMKKSA-N 495.624 2.386 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CCN(C)CC(F)(F)F)CC1 1539482258 KQDJFCFTRADOHO-UHFFFAOYSA-N 480.510 2.468 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 1539482894 XXMXUOIFKRNUHK-WOJBJXKFSA-N 486.617 2.147 30 10 JEEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1539520511 SAMBQTFDROGDPQ-FQEVSTJZSA-N 481.670 2.200 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@]2(O)CCO[C@@H]2C)C1 1540882669 MTJUIBJYGVZCNG-ZDWFVDTJSA-N 475.977 2.183 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1CCc1ccc(OC)cc1OC)[C@@H]1CCS(=O)(=O)C1 1588029725 LFRGVRBQJOVOFX-GOSISDBHSA-N 460.600 2.462 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CCn1cc(C)cn1)[C@H]1CCS(=O)(=O)C1 1588040050 HSMCNMNDHYKUNE-IBGZPJMESA-N 458.975 2.430 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3CC)n2CCNC(=O)c2ccco2)CC1 1588871513 GCKJKIGWALHNFN-UHFFFAOYSA-N 462.554 2.198 30 10 JEEE C#CCSCCn1c(COc2ccccc2OC)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1589116282 GFSIOYSSEFMALG-MSOLQXFVSA-N 455.584 2.480 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)cn2C)n1CCCNS(=O)(=O)CC 1589163684 MMUIFTNJXBISNQ-LJQANCHMSA-N 483.436 2.368 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccc2C)nnc1N1CCN(CC(=O)NCCOC)CC1 1589515787 RZQHDFGCXUYRTH-ZJSXRUAMSA-N 482.629 2.119 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CCC(O)(C(F)(F)F)CC1 1595824176 XXAUBWHYVSCYBD-UHFFFAOYSA-N 492.495 2.491 30 10 JEEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1595884051 GKDDGRMLULRXGE-QHAWAJNXSA-N 476.691 2.328 30 10 JEEE COc1ccc(-c2nnc(N3CCC(C#N)CC3)n2CC(=O)NCC(F)(F)F)cc1OC 1619182938 AETFUZPIKFLXSK-UHFFFAOYSA-N 452.437 2.381 30 10 JEEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2([S@](C)=O)CCC2)C[C@H]1C 1619938928 HTHFRCINHQKHPF-CVCYQNGTSA-N 456.616 2.275 30 10 JEEE N#Cc1ccc(CN2CC[C@H](NC(=O)COc3ccc(C#N)c(Br)c3)C2=O)cc1 1635700595 BMSDGDVDFFRMIV-IBGZPJMESA-N 453.296 2.489 30 10 JEEE Cc1cc(N(CCC#N)C(=O)CN2CCC(N3CCS(=O)(=O)CC3)CC2)ccc1Cl 1658081622 FGSLSXCGYUJROQ-UHFFFAOYSA-N 453.008 2.090 30 10 JEEE CCn1cc([C@@H]2C[S@](=O)CCN2S(=O)(=O)c2ccc(C#N)c(Br)c2)cn1 1668951458 ARWVSQKOPJSIRQ-IVCQMTBJSA-N 457.375 2.031 30 10 JEEE C#C[C@@H](NC(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1)c1ccc(Cl)cc1F 1674036831 WFGSXDOCJAIPJF-LJQANCHMSA-N 450.923 2.333 30 10 JEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 1689875122 KNERMEOOKQCUHP-IRXDYDNUSA-N 468.624 2.137 30 10 JEEE C#CCN(CC)c1nnc(-c2cc(C)nc3ccccc23)n1CCNS(=O)(=O)Cc1ccon1 1690062686 ZEUQMYGQUMLNIQ-UHFFFAOYSA-N 479.566 2.369 30 10 JEEE C#CCN(CCOC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccnc(C(F)(F)F)c1 1690095429 PZNUNHCEWJGDEL-HXUWFJFHSA-N 453.465 2.478 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H]2CCO[C@H](C)C2)CC1 1690110561 QRUPAVVYHWJETL-UYAOXDASSA-N 471.005 2.432 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCN2CCOC[C@H]2C)CC1 1690138328 YUBFJSVYFMNDNQ-UXHICEINSA-N 498.603 2.244 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CCc2cccc(C(=O)N(C)C)c2)CC1 1690150457 IILOMBOVJLETRE-UHFFFAOYSA-N 462.598 2.141 30 10 JEEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1ccsc1 1690174433 DBCNGMSFGZGVOD-ZWKOTPCHSA-N 481.669 2.380 30 10 JEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(-n3ccnc3C)nc2)CC1 1690397098 VJBFFHYTZGCUHD-MRXNPFEDSA-N 470.603 2.228 30 10 JEEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](C)N1CCN(CC)CC1 1690527926 UTASNXWVSPNODR-VQTJNVASSA-N 477.654 2.235 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCC(C(=O)N2CCCC2)CC1 1690676252 UOXTUCZGDRZPAH-UHFFFAOYSA-N 470.549 2.137 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCCN(C(=O)c2cccc(F)c2)CC1 1690722464 KJCHIIPYJMXIMJ-UHFFFAOYSA-N 486.573 2.366 30 10 JEEE CCN1CCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1695843063 DOVZRXZJIRYSBS-UNMCSNQZSA-N 485.658 2.409 30 10 JEEE CO[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1)C(C)C 1697156730 CMYMGZFSUKBSSK-NRFANRHFSA-N 474.569 2.308 30 10 JEEE C#CCCCn1c(Cc2csc(C)n2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1705536135 IZSRVWGTDVDWFN-LAUBAEHRSA-N 455.632 2.036 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1CCCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1705565828 WTLJRUWVPRHZBB-LJQANCHMSA-N 468.583 2.176 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCN(C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1705566248 LVBLTIUWYWAUJW-LEWJYISDSA-N 457.600 2.283 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 1705571753 HFCPPICDPJCUHK-IHPCNDPISA-N 479.002 2.331 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCOc2ccc(Cl)cc2)CC1 1705635443 YXOORDVMGCGUDF-HSZRJFAPSA-N 459.978 2.418 30 10 JEEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1705786656 VBMKXQAETKTKLA-INIZCTEOSA-N 483.708 2.494 30 10 JEEE C=CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCS(=O)(=O)CC1 1705805291 DDCBHMFLAPTDCL-KRWDZBQOSA-N 469.608 2.178 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1=CCCOC1 1705865564 ZURUALBYBSCCLS-OAQYLSRUSA-N 491.589 2.289 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCOc2ccc(OC)cc2)C1 1705925464 PPZFUSOLKZPBIY-YLJYHZDGSA-N 462.572 2.049 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@H](c1ccco1)N1CCCC1 1706878876 HIFAIHOHJBQDMA-SVMVAKDDSA-N 475.619 2.448 30 10 JEEE CC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](C(=O)NC)C1)NC(=O)OC(C)(C)C 1708780352 DBAOQXQNGHPCJV-OALUTQOASA-N 483.573 2.071 30 10 JEEE COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(N(C)C)CCOCC2)C[C@H](C)O1 1712282772 BHUQJOPFQVJMCV-GHTZIAJQSA-N 454.575 2.168 30 10 JEEE COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(N(C)C)CCSC2)CCO1 1712302743 ADBFPVVZGCCTLC-NFBKMPQASA-N 472.615 2.018 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ccc(NC(C)=O)nc1 1722275262 ASDROPWCNVGTSY-INIZCTEOSA-N 481.582 2.055 30 10 JEEE C#CCCCCn1c(COc2ccc(C#N)cc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1722321244 ZZTVNMWXLBFHDW-UHFFFAOYSA-N 470.599 2.392 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1CCOc1ccccc1C)[C@@H]1CCS(=O)(=O)C1 1722362080 RQEHCSDQXNWWTN-HXUWFJFHSA-N 451.552 2.354 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCc1cc(C)ccc1OC)[C@@H]1CCS(=O)(=O)C1 1722363000 YDCYYJJWRRZVOL-LJQANCHMSA-N 453.568 2.460 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccccc1C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1722366583 IWFGEJRJGZRLEW-DLBZAZTESA-N 468.501 2.476 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCCO[C@@H]2CCOC2)CC1 1722441289 KCNYSXMJJJZOGN-RTWAWAEBSA-N 488.633 2.301 30 10 JEEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1722456520 VXZLUVGUBAXWNH-UHFFFAOYSA-N 472.640 2.433 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1722511025 WYOWSEQWEYENEQ-ALKREAHSSA-N 453.634 2.484 30 10 JEEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1722583864 RDGJOHHLAGEIFJ-XGHQBKJUSA-N 455.625 2.265 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1CCC(NC(C)=O)CC1 1722588170 MDXHSCZBKCQFPG-MHJFOBGBSA-N 496.678 2.097 30 10 JEEE C=CCNC(=O)Cn1c(N[C@H](C)[C@@H](OC)c2ccccc2Cl)nnc1[C@@H]1CCS(=O)(=O)C1 1722704488 UNZXUMZBFYMJEG-SPYBWZPUSA-N 482.006 2.324 30 10 JEEE CC(=O)NC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCCC2(C)C)CCO1 1722847402 BIGZSVNEFGYVQY-OFVILXPXSA-N 482.585 2.011 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1CCOCc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1740619932 AWPMHFQDFACTKT-HXUWFJFHSA-N 483.594 2.136 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1snnc1C)[C@H]1CCS(=O)(=O)C1 1740627278 FZOSNEIOXNAVOJ-LZLYRXPVSA-N 478.644 2.032 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCc2ccc(Cl)s2)CC1 1740700927 NJXFNBFJBDCGLA-UHFFFAOYSA-N 463.007 2.340 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2CC2(O)CCN(C(C)C)CC2)CC1 1740708610 WHBHVKFDTJHSOS-UHFFFAOYSA-N 484.670 2.132 30 10 JEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 1740786387 BLDOHQGDPRHUFU-UHFFFAOYSA-N 470.549 2.095 30 10 JEEE C=C(C)COCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CCN1CCOC(C)(C)C1 1740793869 YWZIZTTUUPSNKZ-UHFFFAOYSA-N 495.628 2.332 30 10 JEEE C=C(Cn1c(N2CCO[C@H](CNC(C)=O)C2)nnc1[C@]1(OC(C)C)CCOC1)c1ccccc1 1740801072 ZHFOAANZKXHFLS-RDGATRHJSA-N 469.586 2.373 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CCN(c2ncccn2)CC1 1740952354 ASKOZPXCSVITNY-UHFFFAOYSA-N 483.374 2.126 30 10 JEEE C=CCOc1ccccc1Cn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)OC)CC1 1740971696 UBEIBOIEJSYIEY-UHFFFAOYSA-N 453.543 2.403 30 10 JEEE C=CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCCN(S(C)(=O)=O)CC1 1740998807 QZPSHCPHQPTEAC-UHFFFAOYSA-N 479.628 2.107 30 10 JEEE C#CCN(c1nnc(CSc2ccc(Cl)cc2)n1C[C@H]1CCC(=O)N1)[C@H]1CCS(=O)(=O)C1 1748824939 ULGKTOSNTUZBAC-SJORKVTESA-N 494.042 2.129 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1CCNS(=O)(=O)c1ccc(C)s1 1748860165 XJGUZEFPXYRUQD-FQEVSTJZSA-N 497.602 2.212 30 10 JEEE C#CCN(CC#CC)c1nnc(C2(c3ccccc3)CCC2)n1CCN1CCN(C(C)=O)CC1 1748867857 NFLBJXIHSKKXKS-UHFFFAOYSA-N 458.610 2.375 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)(C)C)n2C[C@H]2CCCN2c2cnn(C)c2)n1 1748970654 MUXWSFADUCSWRC-OAQYLSRUSA-N 479.633 2.461 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)s3)n2CCCN2CCOC2=O)CC1 1748979894 RRBFZSKZVIMWLU-UHFFFAOYSA-N 479.404 2.367 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2CC2CCN(C(=O)OC)CC2)CC1 1748993249 SAEWCCFUODLAPX-UHFFFAOYSA-N 450.587 2.411 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@](O)(c1ccccc1)C(F)(F)F 1749053844 MTKSLMDJDBVULB-BEVDRBHNSA-N 485.532 2.331 30 10 JEEE C=C(Cl)Cn1c(N2C[C@H](C)[C@@H](N3CCCN(C(C)=O)CC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1749282504 ZKOSTTGCOBAUSC-NSXLHWASSA-N 495.068 2.450 30 10 JEEE C=CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1749406712 MPVSIGYVERCSJZ-NRFANRHFSA-N 491.662 2.127 30 10 JEEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCN(C(=O)c2ccsc2)CC1 1749677188 QSDGETBMZDGBTO-UHFFFAOYSA-N 464.595 2.389 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H](C(=O)OC)C1 1749723783 CLGMVVPTORQMIH-ZDUSSCGKSA-N 486.392 2.026 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N(C)Cc1ccc(C(=O)NC)cc1 1749732230 TVQVJTFUIPAVDK-IBGZPJMESA-N 461.588 2.117 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cn2ccc3ccccc32)nnc1N1CCC(C(=O)OC)CC1 1749738456 NLABKVPFIQVZFB-UHFFFAOYSA-N 471.583 2.271 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN1Cc1ccccc1 1760220286 YPWIHLDDGAZVEX-DHIUTWEWSA-N 465.623 2.308 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)Oc1ccc(Cl)cc1 1760249735 RNPKUZDXQSZTIU-DLBZAZTESA-N 466.991 2.387 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2Cc2cnn(C)c2)CC1 1760266078 PHMQSCXNXXQKDA-KRWDZBQOSA-N 465.533 2.305 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Br)c3)n2CC(=O)NCC2CC2)CC1 1760266807 MZZZGRSSQIEUSZ-UHFFFAOYSA-N 499.413 2.200 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(OC)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1760326369 WMJISXXBAKGXBS-FGSXEWAUSA-N 476.599 2.470 30 10 JEEE C=CCCCn1c(-c2ccccn2)nnc1N1C[C@@H]2[C@H](C1)[C@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1760435368 HIPFEKXUSWSOBR-BHIYHBOVSA-N 488.614 2.433 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC2(S(C)(=O)=O)CC2)C1 1760537143 KGIZOXPHDSVKPN-KRWDZBQOSA-N 462.572 2.321 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CC)CC 1760554854 OXYFKHDMPVPGBF-INIZCTEOSA-N 457.597 2.034 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 1760695193 CMCNIHHYTNMLPY-FGTMMUONSA-N 480.635 2.423 30 10 JEEE CCN(CC)C(=O)CN1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCOC2)CC1 1766563232 BUOMHUFYPABMAH-OAQYLSRUSA-N 465.602 2.234 30 10 JEEE CN(C)C(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCCCCC2)CC1 1768464006 DBILCVORKMRBCI-UHFFFAOYSA-N 465.602 2.112 30 10 JEEE CNC(=O)c1cccc(CCn2c(C(=O)Nc3ccccn3)nnc2N2CCC(C#N)CC2)c1 1769179117 DJRYJWFZYNOEJJ-UHFFFAOYSA-N 458.526 2.268 30 10 JEEE C=CCOc1ccccc1[C@@H]1C(C(=O)N(CCN)C(C)=O)=C(N)Oc2c1c(C(F)(F)F)nn2C 1865225668 IZSAWJGWPDTQIA-HNNXBMFYSA-N 479.459 2.032 30 10 JEEE CC(C)(C)OC(=O)N(CCC(=O)N[C@@H](CO)C(=O)Nc1ccccc1C#N)Cc1ccccn1 1867080309 IRYGBXSLZIPBDE-FQEVSTJZSA-N 467.526 2.196 30 10 JEEE COc1ccc(Cc2nnc(SCC(N)=O)n2/N=C/c2cc(OC)c(O)c(OC)c2)cc1OC 1874238172 VGXVYHPXYGVFBQ-BHGWPJFGSA-N 487.538 2.069 30 10 JEEE CC(C)N1C(=O)CS[C@H](C(=O)NCCn2nc(C(F)(F)F)ccc2=O)[C@H]1c1ccc(C#N)cc1 1889415915 CSHOCAKLYAEOIY-UXHICEINSA-N 493.511 2.344 30 10 JEEE CN1CCN(CC#CCOC2CCN(C(=O)c3ncc(Br)cc3Cl)CC2)CC1 1889976608 BKGNXVCYJWWFAZ-UHFFFAOYSA-N 469.811 2.370 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CCC(N)=O)C(=O)N1CC[C@H]2C[C@@]2(B2OC(C)(C)C(C)(C)O2)C1 2141247189 GCDURCWKFKOUBU-SMASLZHESA-N 451.373 2.230 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](NC(=O)c2csc(B3OC(C)(C)C(C)(C)O3)c2)C1 2255845078 GPWNOBXYSHHICO-CABCVRRESA-N 452.382 2.147 30 10 JEEE CC[C@H](C)[C@H](C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)N(C)C(=O)OC(C)(C)C 2256599089 UKXGYEJJAMQLAI-QWHCGFSZSA-N 454.402 2.479 30 10 JEEE C[C@H](NC(=O)[C@@H](O)[C@H](C)NC(=O)OC(C)(C)C)c1cscc1B1OC(C)(C)C(C)(C)O1 2256613351 ISICLTKLRUMNEN-XEZPLFJOSA-N 454.398 2.499 30 10 JEEE CC(C)(C)OC(=O)N[C@H](C(=O)NCc1sccc1B1OC(C)(C)C(C)(C)O1)C(C)(C)O 2256673312 RVAWQVCGCDVBMF-OAHLLOKOSA-N 454.398 2.328 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@H]2[C@H](C(=O)Nc3ncc(B4OC(C)(C)C(C)(C)O4)s3)[C@H]21 2256680094 RHQSMEAGBKOSIO-MGPQQGTHSA-N 451.354 2.015 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N=c2cc3n([nH]2)CCN(C(=O)OC(C)(C)C)C3)C1 2266528668 QOFMEULCQXGRMQ-UHFFFAOYSA-N 459.547 2.301 30 10 JEEE Cc1cc(C(=O)NC[C@H]2COCCN2C(=O)OC(C)(C)C)oc1B1OC(C)(C)C(C)(C)O1 2267518248 AQAGEUAHBLECRX-HNNXBMFYSA-N 450.341 2.253 30 10 JEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@]2(C)CCCN(C(=O)OCc3ccccc3)C2)n1 2267544640 XDHZIPAIWRRYAX-DEOSSOPVSA-N 483.378 2.035 30 10 JEEE CN(Cc1ccccc1)[C@@]1(CNC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)CCOC1 2267548860 VROSBLXGWKTSTH-HSZRJFAPSA-N 457.405 2.463 30 10 JEEE CC(C)(C)OC(=O)NCC(F)(F)CNS(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2267719660 DVPQODYEXCEFAJ-UHFFFAOYSA-N 476.351 2.424 30 10 JEEE COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1NC(=O)[C@@H](CCO)NC(=O)OC(C)(C)C 2268724922 PYFLPQCIRUILFU-MRXNPFEDSA-N 450.341 2.209 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@@H](C(=O)N3CCC=C(B4OC(C)(C)C(C)(C)O4)C3)O[C@@H]2C1 2279904710 GBUASJOXRRMNHW-KSZLIROESA-N 464.368 2.180 30 10 JEEE CC(C)(C)OC(=O)N1CC2(COC[C@@H](CNc3cc(B4OC(C)(C)C(C)(C)O4)ccn3)O2)C1 2280770529 VKOTYNLTXGGFLJ-QGZVFWFLSA-N 461.368 2.198 30 10 JEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H]1[C@H](NC(=O)OC(C)(C)C)[C@H]2CCO[C@H]21 2281810218 MMIBUCSARVHRJO-BNEJOLLZSA-N 462.352 2.298 30 10 JEEE CN(C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C 2281977931 VYTFGBWTJVAFLH-WBVHZDCISA-N 462.400 2.485 30 10 JEEE Cc1nc(C(=O)NC2(CO)CCN(C(=O)OC(C)(C)C)CC2)c(B2OC(C)(C)C(C)(C)O2)s1 2282030755 KBZNDXNSACMQBE-UHFFFAOYSA-N 481.424 2.243 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2282325438 FEJBPEDEIRMERH-FPTDNZKUSA-N 482.383 2.413 30 10 JEEE C[C@H](NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1F)C1(O)CN(C(=O)OC(C)(C)C)C1 2282411845 XOKAQGWWVBVMIQ-AWEZNQCLSA-N 464.343 2.225 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2C[C@@H](CN(C(=O)OC(C)(C)C)C2)C1 2282541161 UAFWXRBWEDKSJU-HZPDHXFCSA-N 460.384 2.048 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 2282592983 KSZDEBYRTNHOBJ-HZPDHXFCSA-N 460.384 2.109 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)o3)C2)C1 2282626031 DANGDNLDXBNIFL-HSZRJFAPSA-N 462.352 2.431 30 10 JEEE COc1ccc([C@H]2C(=C(O)c3c(C)nc4ccccn34)C(=O)C(=O)N2CCN2CCOCC2)cc1 2296926464 NRVYFVFAQZQZFQ-QHCPKHFHSA-N 476.533 2.405 30 10 JEEE CN(C)c1ccc([C@H]2C(=C(O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN2CCOCC2)cc1 2297744350 DVZREYFHHNXHPQ-DEOSSOPVSA-N 493.560 2.278 30 10 JEEE CC1(C)OB(c2c[nH]c(C(=O)N3C[C@@H]4C[C@H]3[C@@H]4NC(=O)OCc3ccccc3)c2)OC1(C)C 2298375011 KEEZWXSYRRSFSY-FFZOFVMBSA-N 451.332 2.453 30 10 JEEE CC(C)(C)OC(=O)N1CC(OCCNC(=O)c2ccc(F)c(B3OC(C)(C)C(C)(C)O3)c2)C1 2362203066 WZEKPPUCMRHYEU-UHFFFAOYSA-N 464.343 2.491 30 10 JEEE N#Cc1ccc(CN2CCN(C(=O)CCc3nc(=O)c4cnn(-c5ccccc5)c4[nH]3)CC2)cc1 17843553 UCOGNTAXIOKSOG-UHFFFAOYSA-N 467.533 2.257 30 10 JEEE C=CCc1cccc(/C=N/Nc2nnc(SCC(=O)Nc3ccc4c(c3)OCCO4)n2N)c1O 20527552 XEFGGRPPFRETTR-WYMPLXKRSA-N 481.538 2.374 30 10 JEEE N#C[C@H]1C(=O)N=C2NC(NCc3ccc4c(c3)OCCCO4)=NC(O)=C2[C@@H]1c1ccc(O)cc1 72461240 NVYXZQQSDHSXJI-VQIMIIECSA-N 459.462 2.234 30 10 JEEE N#C[C@H]1C(=O)Nc2nc(NCc3ccc4c(c3)OCCO4)[nH]c(=O)c2[C@H]1c1ccccc1[N+](=O)[O-] 72472418 UMQIMJJMRKKEHK-KDOFPFPSSA-N 474.433 2.285 30 10 JEEE COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(OC)cc2OC)cc1 103229264 IWBRXMLOQKAASF-UGUGFTGJSA-N 482.533 2.466 30 10 JEEE C[C@@H](NC(=O)CSc1nnc(N/N=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1N)c1ccccc1 253564409 GMBNABZLKOCGFM-FZTAQKCPSA-N 485.486 2.224 30 10 JEEE CN1CCC(n2c(=C(C#N)C(=O)Nc3ccc(F)cc3)sc(=Cc3ccccc3)c2=O)CC1 516828323 CPDUXQAFBUGIOZ-UHFFFAOYSA-N 462.550 2.457 30 10 JEEE COc1ccc(N2NOC(=O)/C2=C/C(=NC(=O)c2ccccc2)C(=O)NN2CCCCC2)cc1 585673327 AUMXBRDXUDJILN-XAOIDXCXSA-N 463.494 2.160 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)C[S@@](=O)CC(=O)Nc3ccc(NC(C)=O)cc3)cc21 586291187 XWVQAKXEILTJDA-MGBGTMOVSA-N 469.519 2.127 30 10 JEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC1CCN(C(=O)CC(F)(F)F)CC1 726949412 YTKXLDLKERPNFZ-INIZCTEOSA-N 488.532 2.344 30 10 JEEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)c1cccc(CN2CCS(=O)(=O)CC2)c1 747284665 BQHCWTISPRBJMN-LJQANCHMSA-N 499.589 2.418 30 10 JEEE C=CC[C@H](NC(=O)Cn1cc(CNC(=O)OCC2c3ccccc3-c3ccccc32)nn1)C(=O)O 757437928 MZXPNEZMYZRGGG-QFIPXVFZSA-N 475.505 2.462 30 10 JEEE COc1cc(C=NNc2nnc(SCC(=O)Nc3ccccc3)n2N)cc(OC)c1OC 1084119082 RHMJGSATEXSOMR-UHFFFAOYSA-N 457.516 2.195 30 10 JEEE C=CCn1nc(C)c(C=NNc2nnc(SCC(=O)Nc3ccccc3[N+](=O)[O-])n2N)c1C 1084129798 JJEOCBZYKFQCNR-UHFFFAOYSA-N 470.519 2.076 30 10 JEEE COc1cc(C=NNc2nnc(SCC(=O)N[C@@H](C)c3ccccc3)n2N)cc(OC)c1OC 1084356954 RHAAHFQAKWKASR-AWEZNQCLSA-N 485.570 2.433 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1CCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C1 1190729396 AGXLFPKYPVJSTN-WIYYLYMNSA-N 459.566 2.381 30 10 JEEE C#CCNC(=O)C1CCN(C(=O)c2cccc(S(=O)(=O)N(C)c3ccc(C)cc3)c2)CC1 1270234852 DLKFUNNQHTYHRA-UHFFFAOYSA-N 453.564 2.422 30 10 JEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2ccc(OC)c(F)c2)CC1 1286323733 MMJIZWIZHYAVRY-HXUWFJFHSA-N 489.617 2.454 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCNC(=O)C(C)C 1286414571 ZJMMSDKMMHXRJM-IBGZPJMESA-N 456.591 2.238 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2C[C@@H]2C[C@H]3COC[C@H]3N2C(=O)OC(C)(C)C)n1 1286470509 XSMIYISJGMUXNU-ILWGZMRPSA-N 499.616 2.094 30 10 JEEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2CCNC(=O)OC(C)(C)C)CC1 1286483444 KYSFFANZAFEEMG-UHFFFAOYSA-N 468.602 2.352 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Br)cc3)n2CC(=O)NC(C)C)CC1 1286487377 NRMWIBGEXGTTNM-UHFFFAOYSA-N 487.402 2.198 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CCc2ccccc2OC)CC1 1286491501 UWNNSXOBZKMYIW-UHFFFAOYSA-N 458.566 2.481 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1C[C@H](C(C)C)N1CCOCC1 1286514172 AQBLVJDAXSTOLS-NTKDMRAZSA-N 451.575 2.274 30 10 JEEE C=C(C)Cn1c(-c2ccccc2Br)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1286591914 TYQMDHIDGQMRMO-UHFFFAOYSA-N 473.375 2.211 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCOC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1286744710 KTWALGAEPVIRDM-MJGOQNOKSA-N 463.579 2.395 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1286783962 RPNJHIZRZGIZOE-QGZVFWFLSA-N 484.557 2.122 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1cccc(C(F)(F)F)c1 1286819792 VZKRNMIFUXRGKF-MRXNPFEDSA-N 471.505 2.485 30 10 JEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc(OC)c2)CC1 1286832048 GZLGZXRHSZTUDI-SFHVURJKSA-N 477.656 2.435 30 10 JEEE CCO[C@H](CCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(C#N)cn2)CC1)C(C)C 1296503432 CEGLVMYCUTXJIM-OAQYLSRUSA-N 480.617 2.445 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@H]3CC[C@H]2CN3C(=O)OC(C)(C)C)s1 1299654141 HRSVZLBWIHTWGA-LSDHHAIUSA-N 455.602 2.365 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccc(Cl)c3)n2C[C@H]2COCCO2)n1 1300675572 DAIYSLJHOMCRGC-NRFANRHFSA-N 470.961 2.497 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2Cc2cccc(NC(C)=O)c2)CC1 1300733465 WHBLGPOWWDVEPD-OAQYLSRUSA-N 450.543 2.102 30 10 JEEE C#CCSCCn1c(-c2ccccc2OC)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1300754181 LEJQODDFVUZMCD-FQEVSTJZSA-N 482.654 2.453 30 10 JEEE C#CCSCCn1c(-c2ccccc2F)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1300754896 XVKMXFQAMLNAQV-QGZVFWFLSA-N 456.591 2.240 30 10 JEEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1300755106 LMSOTXQJPBKQFE-UHFFFAOYSA-N 461.599 2.255 30 10 JEEE C#CCSCCn1c(N2CC[C@H]3CCNC(=O)[C@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1300778146 NPDDPCTWGOOECY-YRXWBPOGSA-N 488.658 2.378 30 10 JEEE C=C(Br)Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1300824743 VXVRDZYCRMCRAZ-GOSISDBHSA-N 474.425 2.120 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)OC)CC1)C(C)C 1301367828 UIPQQWHQYJGMJJ-HXUWFJFHSA-N 456.595 2.266 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1301587779 TXOYGNOORIRATC-FQEVSTJZSA-N 494.061 2.282 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1301587902 YTVSNYNMJHKZLI-UHFFFAOYSA-N 470.580 2.066 30 10 JEEE COCc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1315859734 BZDAFIWACJFZMJ-UHFFFAOYSA-N 474.569 2.204 30 10 JEEE C#CCCCCn1c(-c2ccc(CC)cc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1358907075 BWNLEGYWJXMBDY-UHFFFAOYSA-N 464.614 2.292 30 10 JEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 1358913070 FDJRORAHMFVTFW-GOSISDBHSA-N 475.590 2.458 30 10 JEEE C#CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1358925238 YKUGMODIGCENGM-GOSISDBHSA-N 473.599 2.380 30 10 JEEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(CC(F)F)CC1 1358927078 MJEPGLHUQMSRAY-UHFFFAOYSA-N 451.547 2.039 30 10 JEEE C#CCN(c1nnc(C(C)C)n1C[C@@H](c1ccc(C)cc1)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1358954960 BGBUJWQWKAAUHD-GOTSBHOMSA-N 485.654 2.410 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1359003110 YOZVBEKTQFYZLS-HNNXBMFYSA-N 453.515 2.288 30 10 JEEE C=C(C)COCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@H](CC)C1 1359128549 XKQRVVYZLGKQBR-LJQANCHMSA-N 463.604 2.403 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1359292433 PBHRCSWPVIQESA-UHOSZYNNSA-N 455.515 2.451 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Br)n2CCC[C@@H]2NC(=O)NC2=O)C1 1359317656 NQFKETJPTDZWLO-PBHICJAKSA-N 489.374 2.477 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2(CC)CCCC2)C1 1359321836 MFGGXRYZSADACE-MOPGFXCFSA-N 467.636 2.363 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccncc3)n2Cc2ccc(S(C)(=O)=O)cc2)C1 1359323155 IZZFDGREUMQAIJ-HXUWFJFHSA-N 453.568 2.497 30 10 JEEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H]2CCCN(CCN3CCOCC3)C2)cc1 1465398667 HEZFCOLNCYGZRQ-QHCPKHFHSA-N 455.603 2.419 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@](O)(CNC(=O)COc2ccc(C#N)c(Br)c2)C1 1472092192 HQEIFWQINZUBSI-LJQANCHMSA-N 454.321 2.188 30 10 JEEE Cc1nc(CN2CCN(c3nnc(-c4ccc(C#N)cc4)n3CCCS(C)(=O)=O)CC2)cs1 1492692762 DWJAXQPAQZXZRS-UHFFFAOYSA-N 485.639 2.339 30 10 JEEE Cc1nn(C)c(N2CCN(c3nnc(C(C)(C)C)n3CC3(O)CCN(C(C)C)CC3)CC2)c1C#N 1492727115 IDIQTVPQNWLJLS-UHFFFAOYSA-N 483.665 2.051 30 10 JEEE COC(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](N2CCOCC2)C(F)(F)F)C1 1503861984 DZFMBGLTVKUDBX-QZTJIDSGSA-N 478.475 2.079 30 10 JEEE COc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N(C)Cc2cccc(C#N)c2)c(OC)n1 1504259884 CSGAAUAYBDYIJC-UHFFFAOYSA-N 461.526 2.483 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccsc2)c1 1507549051 YCIDZIFFPFLXFY-OAHLLOKOSA-N 472.596 2.054 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CNC(=O)c3cccs3)n2CC(C)(C)O)c1 1507553104 WVYRKRWRFZVAJS-UHFFFAOYSA-N 466.567 2.097 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1Cc1cnccc1OC)[C@@H]1CCS(=O)(=O)C1 1507633234 DTBSRZNGGJOONY-HXUWFJFHSA-N 469.542 2.087 30 10 JEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1ccc(N(C)C)nc1 1507641655 ISFKIWXPXZBGHH-UHFFFAOYSA-N 476.610 2.129 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCN(C)CC(F)(F)F 1507651527 BYXZAQFTPCWXHC-UHFFFAOYSA-N 471.487 2.242 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC(=O)NCC(F)(F)F 1507668435 ZUKRFYDJZUQRHE-UHFFFAOYSA-N 499.497 2.206 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2Cc2cnccc2OC)CC1 1507739335 FUDHMSXHRJLBNT-UHFFFAOYSA-N 458.566 2.481 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccnc(OC(F)F)c2)CC1 1507740593 CGWIAALYZYEYDI-QGZVFWFLSA-N 460.485 2.140 30 10 JEEE C=C(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1507827399 NGNJLQINYSILEU-UHFFFAOYSA-N 472.977 2.454 30 10 JEEE C=C(C)COCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CC[C@@H](C(N)=O)C1 1507843636 PKTZUXJLUATPEV-QGZVFWFLSA-N 465.558 2.140 30 10 JEEE C=C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1507880051 ZJTNJBNKQKZUFX-QGZVFWFLSA-N 461.588 2.400 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCOc2cccc(C)c2)CC1 1507904045 WUUAXOJPRSLNFU-NRFANRHFSA-N 475.615 2.401 30 10 JEEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1507934714 IWBODCQYYNHZCE-SFTDATJTSA-N 492.690 2.060 30 10 JEEE C=CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1508061624 UODWBZIRLLTNCH-IBGZPJMESA-N 475.638 2.225 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1508098914 SXAUVDKMYBFLGW-ROMRWMGNSA-N 461.607 2.273 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCCN(C(C)(C)C)CC1 1508143185 FKWPGBYYKRKKAR-UHFFFAOYSA-N 485.658 2.428 30 10 JEEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1508148648 WCZIDCJEMZPTCL-KRWDZBQOSA-N 455.588 2.436 30 10 JEEE CC(C)NS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](C(C)(C)C)C1 1509787289 BAKXCIMFLABUIO-FQEVSTJZSA-N 490.630 2.308 30 10 JEEE CC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1)N1CCCC1 1513439444 DCRQWAZBDKGSTE-NRFANRHFSA-N 471.631 2.209 30 10 JEEE CCOc1ccc(O[C@H](C)c2nnc(N(C)[C@H](C)CC#N)n2CC2(O)CCS(=O)(=O)CC2)cc1 1516297336 IAKBGJKYVCJWLX-QZTJIDSGSA-N 491.614 2.495 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1538974167 SLQQRPRPYFHTRK-YJBOKZPZSA-N 476.423 2.436 30 10 JEEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@H](c2noc(C)n2)C1 1539053013 XVEIJPUEZHHGMT-FQEVSTJZSA-N 499.597 2.268 30 10 JEEE C#CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCc2nn(C)c(=O)cc2C1 1539119039 GBXDHQDJEZGIEB-UHFFFAOYSA-N 481.601 2.462 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1cccnc1N1CCOCC1 1539242290 RABOCKXCRCUGDQ-UHFFFAOYSA-N 480.370 2.388 30 10 JEEE C#CCN(CC#CC)c1nnc(Cn2ccc3ccccc32)n1CCS(=O)(=O)N1CCSCC1 1539331479 QEVREPWZIPXUFJ-UHFFFAOYSA-N 496.662 2.123 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1539423243 UXKAKVVEKASPMN-ZDQHKECQSA-N 489.617 2.473 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2Cc2ccc(OC)c(OC)c2OC)CC1 1539477617 SPCJFCKXMHBGFD-UHFFFAOYSA-N 453.543 2.195 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)CCCC 1539632902 VQKZIDPCPYXBGB-QRVBRYPASA-N 455.625 2.219 30 10 JEEE C=C(C)COCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H]2C[C@H]1CO2 1539728596 JHVDAXKBSSBWLS-OALUTQOASA-N 461.588 2.156 30 10 JEEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](F)[C@@H](c2ccccc2)C1 1539730601 QMSCGWKGXPUPMR-QXAKKESOSA-N 451.568 2.423 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1snnc1C 1540140471 WNHAJNQKGGHJGW-CYBMUJFWSA-N 453.619 2.351 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(C)CCCO1 1540186832 HNUZEXOWTFMZFU-KNQAVFIVSA-N 479.603 2.008 30 10 JEEE C=CCn1c(N2CCN(CC(=O)N3C[C@@H](C)C[C@@H](C)C3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1540861078 AQHKNJCOQBEKJW-BKSPAHHJSA-N 474.650 2.131 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CCCN(CCC)C(=O)C1 1540865979 YOELESYWDDRCSU-UHFFFAOYSA-N 475.391 2.459 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1540900881 LOERIHYTUAFUCE-NRFANRHFSA-N 466.567 2.334 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 1540902620 NBHNMNKDQKVOLK-FQEVSTJZSA-N 479.647 2.492 30 10 JEEE CN(Cc1cccc(C#N)c1)c1nnc(-c2cccn2C)n1CCS(=O)(=O)N1CCSCC1 1554162702 FYIKADYXYJEOOS-UHFFFAOYSA-N 485.639 2.170 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCNC(=O)c1cccs1 1587631435 CRGJKJNTBWZPAT-QGZVFWFLSA-N 464.599 2.402 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1ccc(OC(C)C)nc1)[C@H]1CCS(=O)(=O)C1 1588055406 VTUKLCMLSSJEML-PMACEKPBSA-N 473.599 2.029 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@](C)(O)CCC(C)C)[C@@H]1CCS(=O)(=O)C1 1588064747 OHZPSHNKGSWWLG-NFBKMPQASA-N 459.616 2.078 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCc2noc(CC)n2)CC1 1588763313 UIRHXANTQKZOSW-UHFFFAOYSA-N 457.485 2.490 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2CC2(C(=O)N(C)C)CCCC2)CC1 1588800821 OWDQLWGIRWEFOW-UHFFFAOYSA-N 450.587 2.358 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(C(=O)NCC)CCC2)CC1 1588899788 VXUDTHZOEIAKMK-UHFFFAOYSA-N 473.581 2.089 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2CC[C@H](C(F)F)N2CCOCC2)CC1 1588907351 AQKBTLAGSANILA-OAQYLSRUSA-N 486.567 2.267 30 10 JEEE C#CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(CCC(N)=O)CC1 1589052966 BMMNGVWJAXTBEI-UHFFFAOYSA-N 489.671 2.087 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1589547724 VJTDNWRRSDHALN-NQIIRXRSSA-N 453.591 2.278 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCS[C@H](C)[C@@H]1C 1595537424 QUSSTJUUHJIMJE-JKSUJKDBSA-N 467.599 2.307 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1cc2ccccc2o1 1595754091 LBUUPKVCTCFWFX-UHFFFAOYSA-N 457.556 2.498 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1595777459 MZYAACVHXYEWMF-FQEVSTJZSA-N 465.963 2.230 30 10 JEEE CCNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCn2nc(C)cc2C)CC1 1615968326 CMKIIHFVAJBDRA-UHFFFAOYSA-N 491.600 2.484 30 10 JEEE C/C=C/C=C/C1=C2C(=O)[C@@]3(C)[C@H]4C(C(=O)C[C@H](O)/C=C/C)=C(O1)[C@@]1(C)[C@H]2[C@@]2(C)O[C@@]1(O)[C@@]4(C)O[C@]32O 1616182177 ATAIRWBABKGUFL-ZVCCYEIASA-N 496.556 2.363 30 10 JEEE biogenic N#Cc1cc(Cl)c(C(=O)Nc2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)c(Cl)c1 1624468908 DWORESNOYMVZAU-UHFFFAOYSA-N 453.307 2.238 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1629918815 LGSKMNMGPVMKLH-MUGJNUQGSA-N 462.591 2.362 30 10 JEEE C=CCCc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2cccc(S(=O)(=O)NC)c2)cc1 1660071811 HLMHCZRHRSKPKA-OAHLLOKOSA-N 451.570 2.019 30 10 JEEE C=CCOc1ccc(CNC(=O)NCc2ccccc2S(=O)(=O)N2CCN(C)CC2)cc1 1677400770 JKFJRVCASDOCNA-UHFFFAOYSA-N 458.584 2.187 30 10 JEEE C#CCN(C(=O)NC[C@@H](C(=O)OCc1ccccc1)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1680235638 ZDCLCPQRVOSQAJ-FGZHOGPDSA-N 454.548 2.346 30 10 JEEE C=CCS(=O)(=O)CCNC(=O)N1CCC(CO[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 1680909305 KMTCGBQVRSYEEQ-SFHVURJKSA-N 459.609 2.035 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1CCC[C@@H]1NC(=O)NC1=O 1689835928 VGNJNKZSJHKVAJ-WBMJQRKESA-N 475.347 2.162 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@](C)(O)c1cccs1)[C@H]1CCS(=O)(=O)C1 1689984456 PRJJXKUGEBWNFZ-CVDCTZTESA-N 481.603 2.413 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC(O)(CCC)CCC)[C@@H]1CCS(=O)(=O)C1 1689990178 MKDYAAUZZJHIJF-RTBURBONSA-N 452.621 2.130 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCOCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1689991080 VNPHTLUBUVGGBJ-LEWJYISDSA-N 458.584 2.016 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CC1CC(F)(F)C1)[C@H]1CCS(=O)(=O)C1 1689996720 MZGPDBVTLURVDF-SFHVURJKSA-N 475.521 2.401 30 10 JEEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1690003011 AGMJCQBUPRHNRY-KNQAVFIVSA-N 483.535 2.045 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1ccc(OC)nc1OC 1690013564 UOGCFRUZJARCPQ-UHFFFAOYSA-N 483.532 2.208 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2CCc2csc(C)n2)CC1 1690152812 YLGAWEMZCWJISM-UHFFFAOYSA-N 497.650 2.243 30 10 JEEE C#CCSCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(S(C)(=O)=O)CC1 1690157865 RHKIZDJGXPXKDI-INIZCTEOSA-N 467.592 2.005 30 10 JEEE C#CCSCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CCC(=O)NC 1690172771 NVZPZJQUBMDTJN-QGZVFWFLSA-N 464.636 2.331 30 10 JEEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(CNS(C)(=O)=O)CC1 1690186658 SVCSIMORZHWQNB-RTBURBONSA-N 483.704 2.329 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 1690237402 YLAHUQFVSARTMU-AQNXPRMDSA-N 469.652 2.260 30 10 JEEE C=C(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1690298228 UCOZWSVABKMBOK-SJORKVTESA-N 485.593 2.458 30 10 JEEE C=C(Cl)Cn1c(Cn2ccc3ccccc32)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1690351101 HXFUZGQKEKWNSP-UHFFFAOYSA-N 469.977 2.207 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)CNC(=O)OC(C)(C)C)C1 1690684447 GACWEWNIFGBLCQ-ROUUACIJSA-N 462.595 2.456 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](c2nc(CC)cs2)C1 1690722919 AQNGLAHXBORGIY-WBVHZDCISA-N 478.644 2.233 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 1690731265 FYMUZMSKXDWNLF-ZWKOTPCHSA-N 483.635 2.472 30 10 JEEE CC[C@@H]1CCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1694841147 HEBUHEZAUDICBC-GUDVDZBRSA-N 450.609 2.177 30 10 JEEE CCCOc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CCCS(=O)(=O)C2)cc1OC 1695498501 BYGOOPYMQUGNIP-PKOBYXMFSA-N 489.598 2.296 30 10 JEEE CS(=O)(=O)C1(Cn2c(-c3ccc(F)cc3Br)nnc2N2CCO[C@H](C#N)C2)CC1 1698292697 AZNZADCLFPVRKB-CYBMUJFWSA-N 484.351 2.153 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](CC)N1CCc2ccccc2C1 1705477104 JGIVKECPBDNGGW-WFXMLNOXSA-N 458.632 2.183 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCn1cc([C@H]2CCOC2)cn1 1705482203 UVXVGDYEQCPIHG-HKUYNNGSSA-N 468.583 2.207 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H]1CCC=CO1)[C@@H]1CCS(=O)(=O)C1 1705560763 NFMWAHKAIQLXTG-NHCUHLMSSA-N 483.594 2.467 30 10 JEEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1C[C@@H]1NC(=O)CC1(C)C)[C@@H]1CCS(=O)(=O)C1 1705560805 KNJNJQUJMMGJBY-NJYVYQBISA-N 483.638 2.361 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H](C)c1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1705565859 XEMWINBZYLNGPA-BEFAXECRSA-N 454.556 2.375 30 10 JEEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCOCCN(C)C 1705581895 NTGCYLXGEQYAGG-UHFFFAOYSA-N 458.607 2.044 30 10 JEEE C#CCN(CC)c1nnc(-c2ccc3c(c2)OCO3)n1CC1(NC(=O)OC(C)(C)C)COC1 1705609619 KRCOKTYMXXCMIF-UHFFFAOYSA-N 455.515 2.427 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H](C)N2CCC(C)CC2)CC1 1705633948 CQMMHWIADJBXLT-OAQYLSRUSA-N 484.670 2.224 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)CC1 1705634819 JYQFRFUMEYQIKD-HKBOAZHASA-N 490.649 2.403 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2CCCN2C[C@H](C)O[C@H](C)C2)CC1 1705650799 ZQFJDIOEHRXWLU-OYRHEFFESA-N 496.631 2.473 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1(O)CCOCC1 1705711726 RUPKWHSTGHFSPQ-UHFFFAOYSA-N 462.620 2.491 30 10 JEEE C=C(C)Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1705728117 WNXLZABTFURUII-XMSQKQJNSA-N 454.623 2.095 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)Oc2cccc(F)c2)CC1 1705769381 QXOLHQIPDLWHQF-FXAWDEMLSA-N 479.578 2.374 30 10 JEEE C=CCCCn1c([C@H]2CCCO2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1705824594 UQVFZDATXAVESO-MRXNPFEDSA-N 452.606 2.372 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(Cc1ccc(Cl)cc1)Cc1cnn(C)c1 1705893621 CCADPVGVKXOILR-UHFFFAOYSA-N 497.003 2.410 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1705895952 XVJPLIDVOUXMGH-SFHVURJKSA-N 485.585 2.405 30 10 JEEE C=CCNC(=O)Cn1c(N2CCO[C@H](c3ccc(F)c(F)c3)C2)nnc1[C@@]1(OCC)CCOC1 1705909096 MTENICOUAPCCGO-WMZHIEFXSA-N 477.512 2.089 30 10 JEEE CN(c1nnc(-c2cccc(C#N)c2)n1CC(=O)NCC(F)F)[C@H]1CCCc2c1cnn2C 1711027892 FBNXZDDUVQSONZ-KRWDZBQOSA-N 454.485 2.445 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CCC(=O)N2CCCCCC2)c1 1722305551 IUHOLKLQPBHCJR-UHFFFAOYSA-N 493.612 2.265 30 10 JEEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCC(C(=O)NCCOC)CC1 1722325037 DKJSHKRFSZLGBW-UHFFFAOYSA-N 477.407 2.439 30 10 JEEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCN(C(C)=O)CC1 1722332080 CLEMRTCFUJTABM-IBGZPJMESA-N 460.579 2.059 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@@H](C)c1ncc(C)s1)[C@@H]1CCS(=O)(=O)C1 1722367061 UUFMSJLIDDLYPI-CDMIOBSGSA-N 493.655 2.126 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@](C)(OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1722370809 QQBFOZCYRJLCBE-MBSDFSHPSA-N 476.574 2.438 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H]1CCCN(C(C)=O)C1 1722449939 VUBIFTWDDJBBPC-HXUWFJFHSA-N 491.596 2.019 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1722492824 DOJTXGCZMPOBDI-ACRUOGEOSA-N 472.634 2.484 30 10 JEEE C=C(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1722523184 FLPXQLCQIGBIGH-UHFFFAOYSA-N 495.676 2.409 30 10 JEEE C=C(C)COCCn1c(-c2cc(Br)cn2C)nnc1N1CCN2C(=O)OC[C@@H]2C1 1722528672 JPTWJLOWPOHUQB-HNNXBMFYSA-N 465.352 2.280 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](O)(c2ccc(C)cc2)C1 1722537367 NGZWVPQJFJALEN-AUSIDOKSSA-N 460.600 2.179 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 1722724208 QIVQPPIWDSTNCE-HOTGVXAUSA-N 452.581 2.477 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CC)[C@H](C)C1 1722730918 HMKUHAYWIDHRGD-QZTJIDSGSA-N 462.620 2.032 30 10 JEEE CC(=O)N1CCC[C@@H](Cn2c(N3CCN(c4c(C#N)c(C)nn4C)CC3)nnc2C(C)(C)C)C1 1722766319 AZAXIQUDYCHQOE-LJQANCHMSA-N 467.622 2.074 30 10 JEEE C[C@@H]1CN(CCCn2c(COc3ccc(C#N)cc3)nnc2N2CCO[C@H](C)C2)CCCO1 1726733103 AMWYIMFNIXRLRO-WOJBJXKFSA-N 454.575 2.455 30 10 JEEE CC[C@@H](C)NC(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(C#N)CC1 1727099455 HLESNXDYYZCUQS-GOSISDBHSA-N 465.606 2.497 30 10 JEEE C#CCCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1740587254 DAJXDIWHWYNKPY-UHFFFAOYSA-N 461.570 2.023 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1Cc1conc1COC)[C@@H]1CCS(=O)(=O)C1 1740620483 PQSLMDWTRPBVDM-GOSISDBHSA-N 455.540 2.063 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1Cc1cnccc1OC)[C@H]1CCS(=O)(=O)C1 1740624743 JSMKJDJRSPDTAE-NRFANRHFSA-N 465.579 2.256 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1ccc(OCCC)nc1)[C@H]1CCS(=O)(=O)C1 1740625606 GWOHJHKFFIUBCK-VQTJNVASSA-N 473.599 2.379 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccccc1Br)[C@@H]1CCS(=O)(=O)C1 1740627034 OCRPUDGIZGWYSM-IAGOWNOFSA-N 479.400 2.220 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCNC(=O)c1occc1C 1740639708 UNHLWYXEJSKBPG-UHFFFAOYSA-N 469.505 2.388 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)Nc1c(C)cccc1C 1740731735 ZOMMIGJQVYQYIN-FDDCHVKYSA-N 455.584 2.428 30 10 JEEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1740749724 DBERBJJKBAYCGQ-DLBZAZTESA-N 467.412 2.171 30 10 JEEE C=CCCCn1c(N2CCN([C@@H](C)C(=O)N3CCCC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1740882062 YZVUVBBEAHXFNO-OFVILXPXSA-N 474.650 2.418 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(C(=O)N2CCCC2)CC1 1740952451 FCXKJQUYHHKXSP-SFHVURJKSA-N 485.564 2.197 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](c2nnc(C(C)C)o2)C1 1740955112 MFKPWWIUOWFHID-GOSISDBHSA-N 462.514 2.203 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1740964824 VKPMNJUDAQRUCK-OAHLLOKOSA-N 470.471 2.371 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2ncc(CC)s2)C1 1740980201 IZJOMNDZWMENJF-HZPDHXFCSA-N 451.618 2.223 30 10 JEEE C[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N(C)C[C@@H]1CCCOC1)N1CCOCC1 1741862048 BWDXGFOZCONPNO-CTNGQTDRSA-N 454.575 2.312 30 10 JEEE Cc1nn(C)c(N2CCN(c3nnc(-c4ccc(C#N)cc4)n3C[C@](C)(O)C(C)C)CC2)c1C#N 1742668997 HXUUVQZUPVIQIR-VWLOTQADSA-N 473.585 2.464 30 10 JEEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nncn2C)C[C@@H]1NC(=O)OC(C)(C)C 1743243600 CLTICNZYNZBXMK-YJBOKZPZSA-N 463.546 2.343 30 10 JEEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@](C)(O)C2CC2)c1 1747600833 HHOCCFFNZYBIOE-PKTZIBPZSA-N 472.615 2.486 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@H](CCC)OC)[C@H]1CCS(=O)(=O)C1 1748819690 RPCNYHBFYJSWRT-ROUUACIJSA-N 451.618 2.076 30 10 JEEE COc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCNC(=O)c2cccs2)cc1 1748877241 IBUBSFSRKBMOOR-GOSISDBHSA-N 468.539 2.086 30 10 JEEE C=C(C)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1749198642 PKDOBBQAQJINJM-UHFFFAOYSA-N 464.618 2.473 30 10 JEEE C=CCCOCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1749450348 CZFRJEDELJDGJC-IBGZPJMESA-N 461.588 2.363 30 10 JEEE C=CCN(CCOC)c1nnc(-c2cn(C)c3ccccc23)n1C[C@H]1CCCN1S(C)(=O)=O 1749596236 SZRJPBLQJKXDMM-GOSISDBHSA-N 472.615 2.500 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@]1(O)CCN(C)C1 1749601077 WSQWIOKLIGATEY-FDDCHVKYSA-N 464.611 2.056 30 10 JEEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1749640305 NLFYKHLXTMSLBN-UHFFFAOYSA-N 454.604 2.128 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@H](CN2CCOCC2)C1 1749651953 CXOFIEYSVUGPBO-VQTJNVASSA-N 486.592 2.408 30 10 JEEE COCCN(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)c2ccco2)CC1 1749765551 ABGXHYBTUYWGKI-UHFFFAOYSA-N 477.569 2.340 30 10 JEEE CC(C)(C)S(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCC(C#N)CC1 1750516994 CQKVFUBQZZDPKH-UHFFFAOYSA-N 455.588 2.470 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1C[C@H](F)CN1Cc1cccs1 1760116661 IVLNITLNVFQPGQ-MHORFTMASA-N 465.620 2.312 30 10 JEEE C#CCCCn1c(N2CCN(S(=O)(=O)c3ccccc3C)CC2)nnc1[C@]1(OCC)CCOC1 1760161129 ARMUNMSWNIPJKX-DEOSSOPVSA-N 487.626 2.163 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H](CC)OC)[C@@H]1CCS(=O)(=O)C1 1760183248 PMJGGIUADMDDEB-UXHICEINSA-N 473.599 2.199 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(C)CN(C)C1=O 1760336504 AJZCBWXJMWDNFM-HXOBKFHXSA-N 462.595 2.467 30 10 JEEE C=C1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1760385744 WRYDGTTZOJRPIZ-LJQANCHMSA-N 467.389 2.414 30 10 JEEE C=CCCOCCn1c(COc2ccc(C)cc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1760452042 BZCWNIBNEDQDMM-UHFFFAOYSA-N 484.601 2.332 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CN2CCCC2=O)n1C[C@]1(C)COCCO1 1760479043 ZMHWJKDXMWMDME-XMMPIXPASA-N 455.559 2.407 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(Cc1ccc(F)cc1)C1CC1 1760547618 ODQAIHDDAWWXST-UHFFFAOYSA-N 461.563 2.423 30 10 JEEE CC1(C)CN=C(N2CCN(c3nnc(-c4ccc(C#N)cc4)n3CC(=O)NCC(F)F)CC2)S1 1761566766 ANLWYMBHCIXWGO-UHFFFAOYSA-N 488.568 2.201 30 10 JEEE CCCNC(=O)CCn1c(N2CCO[C@@H](c3cccc(C#N)c3)C2)nnc1[C@]1(OCC)CCOC1 1764556745 FDSHURNFCXVCPQ-BWKNWUBXSA-N 482.585 2.296 30 10 JEEE CCN1C[C@@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCOCC2)C[C@H]1C 1765394814 DCIWOMQDKJKKTJ-NHCUHLMSSA-N 467.618 2.370 30 10 JEEE CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCN2CCCO)C[C@@H]1C 1765538021 HDNNFQMZUGSFBT-RBBKRZOGSA-N 467.618 2.106 30 10 JEEE CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](CN2CCCCC2)C1 1766877776 GTDRTCIGUXCLJC-FQEVSTJZSA-N 451.575 2.129 30 10 JEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)c1nc(-c2ccccc2)no1 1772564399 WJHPNZAUYPNGJL-FUHWJXTLSA-N 487.586 2.087 30 10 JEEE COc1cc([C@@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2CCN2CCOCC2)ccc1O 1862574668 MIKICSJKLOYFQN-HSZRJFAPSA-N 498.532 2.329 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(O)cc2)cc1F 1862639068 QAARLLULIXHQRL-NRFANRHFSA-N 456.470 2.450 30 10 JEEE CC[C@H](C)[C@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H](c1ccc(O)cc1)N(C)C 1869933640 LAFCKGBKPIDNMX-ZRCAFCQKSA-N 458.584 2.265 30 10 JEEE C=CCn1cc(OCC(=O)OCCOC)c(=O)cc1CN1CCN(c2ccc(F)cc2)CC1 1870476125 DFXJICLQYBBNNR-UHFFFAOYSA-N 459.518 2.064 30 10 JEEE CCn1c(=O)c2cc(S(=O)(=O)N3CCC(Oc4ccc(C#N)cc4)CC3)ccc2n(CC)c1=O 1892075090 CQNRWGXSMKTGKL-UHFFFAOYSA-N 482.562 2.307 30 10 JEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](C(=O)N2CCC[C@H](B3OC(C)(C)C(C)(C)O3)C2)C1 1892761254 OFSVMRFDCSNFCF-HOTGVXAUSA-N 472.413 2.105 30 10 JEEE CC1(C)OB(C2[C@H]3CN(S(=O)(=O)CCCCN4C(=O)c5ccccc5C4=O)C[C@H]23)OC1(C)C 1999981130 KVTCSNJWDKEGGI-ROUUACIJSA-N 474.388 2.417 30 10 JEEE C#CCN(C(=O)c1cc(I)cc(I)c1O)[C@@H]1CCOC1 2146071252 DLZRQPUDLUMMNO-SNVBAGLBSA-N 497.070 2.466 30 10 JEEE CN(CCN(C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)C(=O)OCc1ccccc1 2247839244 UOFGTIDTCMHKEO-UHFFFAOYSA-N 456.352 2.060 30 10 JEEE Cc1csc(CN(C)C(=O)[C@H](O)CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2256625030 QXLYEIVHJRWCET-CQSZACIVSA-N 454.398 2.200 30 10 JEEE CCc1nn(C)c(C(=O)N(C)C[C@H](C)NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267143355 HAHFLGDERXIUNZ-AWEZNQCLSA-N 450.389 2.267 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@](CO)(NC(=O)c2occc2B2OC(C)(C)C(C)(C)O2)C1 2267178667 FUKIGLGOGIWQJW-QFIPXVFZSA-N 450.341 2.071 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]1CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2267363534 KMENLUYXSPURFK-DYVFJYSZSA-N 470.372 2.316 30 10 JEEE CC(C)(C)OC(=O)NC1[C@H]2CN(S(=O)(=O)c3cccc(B4OC(C)(C)C(C)(C)O4)c3)C[C@H]12 2267372664 RQMMZRQEPUPFFV-IRXDYDNUSA-N 464.393 2.129 30 10 JEEE Cc1nc(C(=O)Nc2n[nH]c(CNC(=O)OC(C)(C)C)n2)c(B2OC(C)(C)C(C)(C)O2)s1 2267479994 SXOWKSQWGVBGFE-UHFFFAOYSA-N 464.357 2.146 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](OCCNC(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)C1 2267487410 RJILTWCJFMZDHF-AWEZNQCLSA-N 467.397 2.198 30 10 JEEE CC(C)(C)OC(=O)NCCCOCCNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2267718396 SQPFBKCDPSBPFO-UHFFFAOYSA-N 490.453 2.257 30 10 JEEE CO[C@@H](CNC(=O)OC(C)(C)C)C(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)ccc1F 2268679007 LBWFYNCHCNEUST-KRWDZBQOSA-N 452.332 2.281 30 10 JEEE Cc1c(C(=O)N2[C@H]3CC[C@@H]2CN(C(=O)OC(C)(C)C)C3)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281796707 XMFTVRFYQGJPPW-IYBDPMFKSA-N 460.384 2.252 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)C2(B3OC(C)(C)C(C)(C)O3)CCC2)[C@@H]2CS(=O)(=O)C[C@H]21 2281801075 PZARFJDFXPIZDU-HZPDHXFCSA-N 484.424 2.248 30 10 JEEE Cc1c(C(=O)NC[C@H]2N(C(=O)OC(C)(C)C)CC2(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281990054 HZVHLXQKERURSJ-OAHLLOKOSA-N 462.400 2.403 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](CNC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C12CC2 2282020908 FMHVGEBCYPHFFE-HNNXBMFYSA-N 458.368 2.295 30 10 JEEE Cn1ncc(C(=O)N2CC[C@H]3CCN(C(=O)OC(C)(C)C)[C@H]3C2)c1B1OC(C)(C)C(C)(C)O1 2282057077 BSAKGWYHOGCZSI-RDJZCZTQSA-N 460.384 2.191 30 10 JEEE C[C@@H]1C[C@H](NC(=O)C(F)(F)F)CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2282342615 JUQSCLDKJOFRIQ-HIFRSBDPSA-N 476.326 2.063 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(NS(=O)(=O)Cc2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282501834 CGICUDVOERDKQG-SBUREZEXSA-N 478.420 2.415 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@]2(NC(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)CCC[C@@]2(F)C1 2282584210 BUPMEJFFFJAVHZ-YADHBBJMSA-N 464.347 2.320 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCCC12CN(C(=O)OC(C)(C)C)C2 2282594237 BRAPHZAFNBEXHW-UHFFFAOYSA-N 460.384 2.428 30 10 JEEE Cn1nc(C(=O)N[C@@H]2C[C@@H](NC(=O)OC(C)(C)C)C23CCC3)cc1B1OC(C)(C)C(C)(C)O1 2282623082 CAENKIHSLBAOHI-HZPDHXFCSA-N 460.384 2.285 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)[C@](C)(CO)C1 2282678053 HLVGUAZAYZKKIY-DEOSSOPVSA-N 460.380 2.430 30 10 JEEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CN(C(=O)OCc2ccccc2)CC12CCC2 2282684783 WFWZXKFDKJZFGT-SFHVURJKSA-N 495.389 2.035 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1(C)C 2282697715 UQGSTXPRPRCRPL-GOEBONIOSA-N 460.384 2.445 30 10 JEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H]1C[C@@H](OCc2ccccc2)C1(C)C 2282865544 VSKBSEFBGBUIPZ-ZWKOTPCHSA-N 475.420 2.382 30 10 JEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1O 2282884574 PSUANRCDIQZVJG-FUHWJXTLSA-N 462.352 2.056 30 10 JEEE COc1cc([C@H]2C(=C(O)c3ccccc3)C(=O)C(=O)N2CCN2CCOCC2)cc(OC)c1OC 2296098858 JXHOCHANXUDULY-QFIPXVFZSA-N 482.533 2.466 30 10 JEEE COc1ccc(Cl)cc1C(O)=C1C(=O)C(=O)N(CCN2CCOCC2)[C@@H]1c1cccnc1 2296626440 RHLSFPAWZNCNEM-HXUWFJFHSA-N 457.914 2.498 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@H](O)CN(c2ncc(Cl)cc2B2OC(C)(C)C(C)(C)O2)C1 2317242935 MTMMKCPSNJESJL-GJZGRUSLSA-N 453.776 2.499 30 10 JEEE COc1cccc(C=Nn2c(CNC(C)=O)nnc2SCC(=O)NC2CCCCC2)c1O 2330772866 FGXNXTHPAKFMEA-UHFFFAOYSA-N 460.560 2.052 30 10 JEEE C[C@@H](CCNC(=O)OC(C)(C)C)CCNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2337192855 RJJCXSOBGNRQFQ-OAHLLOKOSA-N 450.389 2.390 30 10 JEEE COc1ccc(NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)O)cc1B1OC(C)(C)C(C)(C)O1 2339736740 DAPVYIMZCQVLFP-CXAGYDPISA-N 450.341 2.207 30 10 JEEE COc1nc(N(C)C[C@H](O)CN(C)C(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2339787307 YKRZFLUNDQDDHB-HNNXBMFYSA-N 451.373 2.053 30 10 JEEE Cn1cc(C(=O)N[C@H]2C[C@@H]3C[C@H]2CN(C(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)n1 2359266102 CNYMYRFMMPHGPY-ZOBUZTSGSA-N 460.384 2.095 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2C[C@H]1C[C@H]2NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2359267264 XKTXWCGZOSKVGE-XJNFMUPTSA-N 458.368 2.197 30 10 JEEE CC(C)[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2362348163 NRQHKENKBQQETN-MRXNPFEDSA-N 462.400 2.437 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)NC(=O)c3ccc(OC(F)F)cc3)cc2C1=O 9701941 VCYKSQTYPDEODN-UHFFFAOYSA-N 458.373 2.183 30 10 JEEE O=C(O)c1cccc(-c2ccc(C=NNc3nc(N4CCOCC4)nc(N4CCCOC4)n3)o2)c1 254508173 CZGZALQJKUUDQO-UHFFFAOYSA-N 479.497 2.297 30 10 JEEE N#Cc1cccc(OC[C@H](O)Cn2cnc(I)c2I)c1 402124590 CDLDXNGJAPGIPW-SNVBAGLBSA-N 495.058 2.404 30 10 JEEE C#CCN(C(=O)c1ccc(OC)c(S(=O)(=O)Nc2ccc(C)cc2)c1)[C@H]1CCS(=O)(=O)C1 729330640 GTRAFIFDBGFEQH-IBGZPJMESA-N 476.576 2.067 30 10 JEEE CN(C)c1ccc(C=NNc2nnc(SCC(=O)Nc3ccccc3[N+](=O)[O-])n2N)cc1 1084590099 PRACMUHRHMTMLC-UHFFFAOYSA-N 455.504 2.143 30 10 JEEE C[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)cc1 1137803760 AYSVALXNKGVYOX-CYBMUJFWSA-N 459.915 2.309 30 10 JEEE C#CCN(C(=O)c1cccc([C@]2(C)NC(=O)NC2=O)c1)C1CCN(C(=O)OC(C)(C)C)CC1 1155367744 VUKUKXXEUUXPJO-DEOSSOPVSA-N 454.527 2.216 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@H]1CCCS(=O)(=O)C1 1286275751 TXRQLOYGDLJLNG-CVEARBPZSA-N 462.572 2.254 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)NCCc1ccccc1 1286295772 LDJNBYYLQQMEPD-FPOVZHCZSA-N 496.612 2.403 30 10 JEEE C#CCN(c1nnc(-c2cccc(Br)c2)n1C[C@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1286384436 QRFGLRYFQAXWTO-WMLDXEAASA-N 467.389 2.369 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1c(CC)nn(C)c1CC 1286401599 OWYXZIDCNDCPDD-UHFFFAOYSA-N 493.637 2.175 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC1(C(N)=O)CCOCC1 1286459135 ANOQUKMAJMBCIM-KRWDZBQOSA-N 471.627 2.500 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2c(Cl)cccc2OC)CC1 1286472561 JMDHIWXYUMQPAI-QHCPKHFHSA-N 459.978 2.396 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@H]2CC[C@@H](C)C2)CC1 1286473498 NJMSRDPPKWKMOR-UXHICEINSA-N 470.643 2.387 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2c(C)nn(C)c2C)CC1 1286488377 XZDSUTDXYUJPDS-UHFFFAOYSA-N 476.541 2.218 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCC[C@@H]2CCCCO2)CC1 1286663326 LEAXVGVNKRMHAF-PMACEKPBSA-N 467.636 2.363 30 10 JEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CN2C[C@H](C)O[C@H](C)C2)CC1 1286693360 NZOKEQIOJHAHJP-OTWHNJEPSA-N 468.668 2.180 30 10 JEEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1([S@@](C)=O)CCC1 1286718582 ORCXBJZQCVLHKM-GDLZYMKVSA-N 451.618 2.119 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCOC[C@H]1OC 1286741737 JNRGINMFMRSYCE-PCCBWWKXSA-N 450.543 2.345 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1ccccc1O 1286791655 YFGJCOKGZDOCIS-GOSISDBHSA-N 486.573 2.231 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](CC)c2ccccc2)nnc1N1CCN(C(C)=O)C[C@H]1C 1286818343 VXXKLSYTJVXXIW-WIYYLYMNSA-N 459.616 2.478 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1286818853 QFVHBMOIQMJYIU-QGZVFWFLSA-N 462.576 2.044 30 10 JEEE CC(=O)N[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2c(C)nn(C)c2C)C1 1286911224 ICQRBWLUKIXEOG-HXUWFJFHSA-N 462.558 2.232 30 10 JEEE CC(C)OCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1288401223 FOHOFNCCRMSDQM-WOJBJXKFSA-N 459.572 2.055 30 10 JEEE C[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCC#N)CC1CC1)c1nccs1 1288651069 DNIKHFYBLZHEEJ-NVXWUHKLSA-N 479.632 2.001 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CCc1ccncc1 1288851421 FIHPIWNPZHPJJL-LJQANCHMSA-N 494.625 2.114 30 10 JEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2cc(F)ccc2C1 1300364239 JMFPRDIUXYCVPJ-FQEVSTJZSA-N 461.563 2.116 30 10 JEEE C#CCN(c1nnc(C2CCC2)n1C[C@H](C)CNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1300490985 DEBSFFQAGIAOOL-AEFFLSMTSA-N 465.620 2.333 30 10 JEEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@]1(C)COCCO1 1300534772 DXMJAVXYYNDZGC-DEOSSOPVSA-N 457.575 2.271 30 10 JEEE C#CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](NC(C)=O)C1 1300763702 RBLVEUYGFHEDAG-OALUTQOASA-N 492.646 2.058 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](CN(CC)CC)C1 1300886310 WYOWPZKEHHDERP-NCYKPQTJSA-N 465.664 2.330 30 10 JEEE C=C(Cn1c(N2CCN(S(C)(=O)=O)[C@@H](C)C2)nnc1[C@]1(OCC)CCOC1)c1ccccc1 1301009944 GHIFVJFPEALLMH-CVDCTZTESA-N 475.615 2.114 30 10 JEEE C=CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(S(C)(=O)=O)CC1 1301188118 GFXURNAFWOYBKJ-SFHVURJKSA-N 498.650 2.024 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2cccc(C(N)=O)c2)C1 1301544231 UWSASQAPIQOHIU-GBXCKJPGSA-N 455.559 2.247 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@H](c1cccs1)N(C)C 1303402004 CQTOTGPRDYLTRO-LJQANCHMSA-N 493.641 2.374 30 10 JEEE CC(C)NC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](C(F)(F)F)C1 1303453348 DXHPHTMWJMFWMM-INIZCTEOSA-N 452.437 2.021 30 10 JEEE Cc1ccc(C(C)C)c(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CC(=O)NCC(F)F)c1 1304271348 IBEPAXYPDKMYQB-INIZCTEOSA-N 462.501 2.399 30 10 JEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cc(F)ccc2F)CC1 1358905455 ZXPIBMMHPIGUJU-MRXNPFEDSA-N 466.558 2.297 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCCN1CCCO[C@H](C)C1 1358985739 GMWFUHYMZPOXIU-RCZVLFRGSA-N 457.619 2.283 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)COCCO2)n1 1359027553 NJCLOCHBUCPGCN-VWLOTQADSA-N 475.553 2.105 30 10 JEEE C=CCCOCCn1c(N2CCN3C(=O)OC[C@@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1359229621 OUZGBQRNQSQLHN-KSZLIROESA-N 476.578 2.282 30 10 JEEE C=CCn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1359284985 YACVDIJTSSXQEX-OAHLLOKOSA-N 457.336 2.426 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N(C)C1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 1359298030 KBVZWWBMIYJQJQ-JWTNVVGKSA-N 482.589 2.404 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCO[C@@H](C(C)C)C1 1359332825 HZIHVQKHQORBPA-WOJBJXKFSA-N 462.572 2.253 30 10 JEEE CC(=O)N1CC[C@H](CN(C)c2nnc(COc3ccc(C#N)cc3)n2CC2([S@](C)=O)CCC2)C1 1359362948 HXNJBHNUAPOALG-JJVXONKQSA-N 484.626 2.335 30 10 JEEE C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)N1CCOCC1)N(C)C(=O)OC(C)(C)C 1360540104 AHFCWCPUYJSDMC-SFHVURJKSA-N 497.600 2.367 30 10 JEEE COc1ccc([C@@H]2CCN(S(=O)(=O)N(C)[C@H](C)CC#N)C[C@@H]2NC(=O)C(F)(F)F)cc1F 1464022453 BGEJMEYNMHIESP-INWMFGNUSA-N 480.484 2.149 30 10 JEEE C=CCN(CC=C)[C@@H](CNC(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)C(C)C 1464868658 GYTAWBWSQLPYCB-MOPGFXCFSA-N 457.637 2.225 30 10 JEEE C=CC[C@H](NC(=O)N1CCN(C(=O)OC(C)(C)C)[C@H]2CS(=O)(=O)C[C@H]21)c1ccncc1 1477931555 BZBYXCYWBHVYSV-KSZLIROESA-N 450.561 2.127 30 10 JEEE COc1ccc(-c2nnc(N(C)[C@H](C)CC#N)n2CCS(C)(=O)=O)cc1Br 1504155298 GHESHLIMXJIFQB-GFCCVEGCSA-N 456.366 2.499 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1(COC)CCOCC1 1507528357 MHQPHSCOEDHAIC-QGZVFWFLSA-N 460.604 2.139 30 10 JEEE C#CCCCCn1c(CC(C)C)nnc1N1C[C@@H]2[C@@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1507568956 VANNQMRPHNNLJR-QYZOEREBSA-N 479.647 2.407 30 10 JEEE C#CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CC1(O)CCS(=O)(=O)CC1 1507604561 LBIFRTQEFVQPAP-UHFFFAOYSA-N 467.595 2.362 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Cl)n1C[C@H]1CCCN(C(C)=O)C1)[C@@H]1CCS(=O)(=O)C1 1507628751 IDSFPNTWOJXGBM-RBUKOAKNSA-N 490.029 2.484 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1Cc1ncccc1C)[C@H]1CCS(=O)(=O)C1 1507628770 QDFUTIIOUORIMV-SFHVURJKSA-N 481.578 2.341 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC1(CCOCC)CC1)[C@H]1CCS(=O)(=O)C1 1507633686 UOHKJVHHTLIMGC-OALUTQOASA-N 450.605 2.353 30 10 JEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CCCN1C[C@H](C)C[C@@H](C)C1 1507712773 ORUHTRSHNKJMET-RTBURBONSA-N 456.591 2.460 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCCOC3)n2C[C@H]2CCOC[C@@H]2C)n1 1507715767 CMKIOVSXXJAUMJ-PWRODBHTSA-N 456.591 2.327 30 10 JEEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1507756991 SSTPTHYQCVIQEV-SZPZYZBQSA-N 495.697 2.257 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2csc(N3CCOCC3)n2)n1CCCOCCOC 1507765274 KWLCGPOYISSRSG-JOCHJYFZSA-N 460.604 2.283 30 10 JEEE C=C(Br)Cn1c(N2CCN(c3ncccc3C#N)CC2)nnc1[C@]1(OCC)CCOC1 1507792971 MAWGPLMRRDSMRE-NRFANRHFSA-N 488.390 2.432 30 10 JEEE C=C(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C)[C@@H](OC)C1)c1ccccc1 1507850773 BAUBSTIODCMWQG-YYWHXJBOSA-N 475.615 2.186 30 10 JEEE C=C(Cl)Cn1c(Cc2csc(C)n2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1507868958 KBFJLSWDLLDJKT-UHFFFAOYSA-N 452.028 2.377 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@](C)(CC)C1 1508071056 ALKCELRBMWZAFM-QFIPXVFZSA-N 460.604 2.124 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1508081468 ZMUDYXWRVCGZOY-UHFFFAOYSA-N 492.584 2.348 30 10 JEEE CC[C@H](C)[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1512728949 GAKPZQDWMKVMED-CEXJFXJFSA-N 454.531 2.167 30 10 JEEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(CCOC)[C@@H](C)C1 1539089641 OMVMEUPNDHLHKY-SFHVURJKSA-N 458.994 2.432 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCS(=O)(=O)N(C)C 1539288436 FEFCRNSNDOICNP-UHFFFAOYSA-N 457.600 2.119 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H]1CCOC[C@H]1OC 1539315808 UZAIJLHHXBBXNQ-SIKLNZKXSA-N 474.565 2.189 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cnnn1C 1539384301 CTBIYMWAUYTNMY-QHCPKHFHSA-N 453.522 2.274 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C(F)(F)F)cc2C)CC1 1539447949 ZPARBFXVVINDGE-SFHVURJKSA-N 481.544 2.311 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc4ccccc4o3)n2CC(=O)NCC(F)F)CC1 1539470389 NSVLCRSOWHDJLL-UHFFFAOYSA-N 470.480 2.038 30 10 JEEE C=C1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCNS(=O)(=O)CC)CC1 1539861015 MGDNJKOXHJZUCG-CALCHBBNSA-N 468.624 2.145 30 10 JEEE C=CC[C@H](Cn1c(Nc2cnn(C)c2)nnc1[C@@H]1CN(S(C)(=O)=O)CCO1)c1ccccc1 1539948779 RTWDBWJMVVSODI-QUCCMNQESA-N 471.587 2.448 30 10 JEEE C=CCCOCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CC(=O)N(C)[C@H](C)C1 1540033992 SSCLXZIQWFRFSY-GOSISDBHSA-N 479.585 2.325 30 10 JEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1ccc(Br)o1 1540874848 UBSZICRDHYLMLX-UHFFFAOYSA-N 462.352 2.434 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCNC(=O)[C@H]1CC 1540897797 SMQOYNWTGCNXCV-RBUKOAKNSA-N 475.615 2.351 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1540899071 CDPXDXABKPJBSS-QHCPKHFHSA-N 471.583 2.192 30 10 JEEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(CC2CC2)n1CC[S@](=O)C(C)(C)C 1544582216 IBOJIHUZRUWJIC-FTDQSSOUSA-N 456.620 2.155 30 10 JEEE COc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H]2CCCN2CCCO)cc1OC 1554849529 ATFVGQGSBBHCGP-MBSDFSHPSA-N 458.538 2.251 30 10 JEEE COC1CCN(C(C)(C)Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@H](C(N)=O)C2)CC1 1555158196 BPDSQVMYIVZWHG-IBGZPJMESA-N 451.575 2.018 30 10 JEEE C=C[C@@](C)(CC)C(=O)N(C)CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 1587994180 VBXKRWQUTCJUBM-FQEVSTJZSA-N 457.980 2.360 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2Cc2ccc(C)cc2OCCOC)CC1 1588848431 FPZYBQBOESYQTE-UHFFFAOYSA-N 460.582 2.401 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CN(CC(C)C)CCO2)CC1 1588898775 BMQAWCVYYUEGKS-DEOSSOPVSA-N 489.624 2.139 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](C)N(C)Cc2ccccc2)CC1 1588923864 OLVIZMPLEYQJBX-FQEVSTJZSA-N 474.613 2.165 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2CC(C)(C)C(=O)NCC)CC1 1588954724 KZTBTWUHYMLCRP-UHFFFAOYSA-N 456.616 2.059 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(C)cc1O[C@H]1CCOC1 1589149955 BIKXXORCRAAIQL-VAXXYWNWSA-N 487.626 2.405 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@H](CCC)C1 1595465869 ANRCTBAQIBFXEZ-GOSISDBHSA-N 460.966 2.169 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1595551540 RPQQHJGBMLOMRP-APWZRJJASA-N 484.557 2.196 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC[C@@H](N3CCCC3)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1595602269 IOLRGRMVPDBPHX-HSALFYBXSA-N 487.649 2.416 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCCc2ccccc2)nnc1N1CCCN(C(C)=O)CC1 1595823245 MLNUDPRVRAUKBO-UHFFFAOYSA-N 459.616 2.113 30 10 JEEE C=CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@@H](NC(C)=O)C1 1595871110 GIGXEUIPRNCDLH-QGZVFWFLSA-N 477.660 2.262 30 10 JEEE CC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCCO[C@H](C)C2)C1 1596421120 GWVIMIBUHGOIRQ-AUSIDOKSSA-N 465.602 2.423 30 10 JEEE CC(=O)NC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](CC(C)C)N(C)C)CCO1 1596641076 CDURBQCNRYXOBT-VXKWHMMOSA-N 453.591 2.134 30 10 JEEE C#Cc1cccc(NC(=O)CNS(=O)(=O)c2cccc(C(=O)OC)c2Br)c1 1621671712 FUYLRLOJZKWYJF-UHFFFAOYSA-N 451.298 2.134 30 10 JEEE C#CCN(C(=O)[C@H](CO)NC(=O)OCc1ccccc1)C1CCN(C(=O)OC(C)(C)C)CC1 1638330748 CSZFZIPJZQLVRN-FQEVSTJZSA-N 459.543 2.135 30 10 JEEE C#C[C@H](NC(=O)NCc1cccc(-n2cc(CNC(=O)OC(C)(C)C)nn2)c1)[C@@H]1CCCO1 1681593114 NMGMMSVAAHOMJQ-PMACEKPBSA-N 454.531 2.272 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1689848031 NFNRXGIOVGEYOI-SJORKVTESA-N 454.556 2.340 30 10 JEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 1689937430 ZLZPNYBRFMOODH-UHFFFAOYSA-N 491.621 2.444 30 10 JEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CCCCN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1689982932 XHANZJDXTYKUOJ-OAQYLSRUSA-N 492.045 2.338 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1Cc1nccn1C(F)F)[C@@H]1CCS(=O)(=O)C1 1689994461 YVBDYKQVUDSUFX-GOSISDBHSA-N 474.537 2.330 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1C[C@H](C)N1CCN(CC)CC1 1690003748 WRWXUVXWQLCLMG-SFHVURJKSA-N 472.435 2.145 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2cc(F)cc(OC)c2)CC1 1690137666 GGRISUHTRFXBOX-VWLOTQADSA-N 485.560 2.092 30 10 JEEE C=C(Br)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](OCCOC)C1 1690220822 BLBUXZZQEZXCTQ-MRXNPFEDSA-N 485.404 2.499 30 10 JEEE C=C(Br)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1690220903 DTOUDFNPBQJZOZ-UHFFFAOYSA-N 463.380 2.073 30 10 JEEE C=CC1CCN(c2nnc(COc3ccccc3OC)n2CC2(O)CCS(=O)(=O)CC2)CC1 1690415283 GFUACWXBLDPEIZ-UHFFFAOYSA-N 476.599 2.208 30 10 JEEE C=CCCCCn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@@H](C(=O)NC)C1 1690453583 FGGHYQCKIZGOIA-MRXNPFEDSA-N 451.369 2.354 30 10 JEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 1690509094 WRYYKUOMBQWQJS-KRWDZBQOSA-N 483.635 2.266 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCC(=O)N2)n1CCN/C(O)=C1\N=CC=CC1=O 1690570045 UGWFJWIPEVHVMP-MLSMKVKPSA-N 479.516 2.087 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2c[nH]c3ccccc23)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1690723140 JGBZSYDZZCTZCE-KRWDZBQOSA-N 491.639 2.431 30 10 JEEE CC(C)C(=O)NC[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCn2cncn2)C1 1691472396 BGOZTEFDXWIDLC-HXUWFJFHSA-N 477.573 2.009 30 10 JEEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(N(C)C)CCSC2)CC1 1698086944 AMUKAPQOQMZCND-HSZRJFAPSA-N 455.632 2.022 30 10 JEEE C#CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1705514790 JAURNNOAGYTSBQ-KRWDZBQOSA-N 457.604 2.099 30 10 JEEE C#CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CC[C@@H](C(F)F)N1CCOCC1 1705549571 ACUZNAQFRCTABJ-KRWDZBQOSA-N 457.485 2.019 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCSc2ccc(C)cc2)CC1 1705644485 RTPNVPRTWYNSTG-UHFFFAOYSA-N 468.627 2.483 30 10 JEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2nc(C)c(C)s2)CC1 1705652997 VSELENSNEWPGFN-UHFFFAOYSA-N 459.645 2.280 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 1705693081 BJKKQFURFHVXMG-CTNGQTDRSA-N 484.576 2.499 30 10 JEEE C=C(Cn1c(COCC)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1)c1ccccc1 1705743641 DOMSJOSPNSHBBZ-OAQYLSRUSA-N 475.615 2.159 30 10 JEEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1705787387 RAPBBVWBCULPMZ-DEOSSOPVSA-N 480.573 2.342 30 10 JEEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CCO)Cc1ccc(F)c(Br)c1 1705890494 SIYLAXGNLXFIMM-AWEZNQCLSA-N 473.368 2.267 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1705895731 QIDLDGWTIWYZRD-SFHVURJKSA-N 458.994 2.449 30 10 JEEE CCN1CCN([C@H](C)Cn2c(COc3ccccc3OC)nnc2N2CC[C@](F)(C#N)C2)CC1 1710269963 GLJGTFQZCWVRJD-DVECYGJZSA-N 471.581 2.334 30 10 JEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 1722332918 PYWOLMPCCJWARB-ROUUACIJSA-N 465.620 2.429 30 10 JEEE C#CCN(c1nnc(-c2cccc3cccnc23)n1C[C@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1722362738 OFONERRNEDYTPX-FDDCHVKYSA-N 453.568 2.281 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H](C)Oc1ccccc1OC)[C@@H]1CCS(=O)(=O)C1 1722364564 IAGDJBJBMJSAIQ-TZIWHRDSSA-N 495.605 2.367 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 1722381136 ILNUFNDWJUHYKL-ROUUACIJSA-N 452.559 2.092 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@]1(C)COCCO1 1722390478 RHDNEGNUYVBVDC-HSZRJFAPSA-N 455.946 2.130 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCC(=O)N[C@@H](C)CC)CC1 1722441779 UOBYXFYALRJHHE-SLFFLAALSA-N 487.649 2.109 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CSCCS2)CC1 1722441972 PBPDZHAWUZUPPO-HXUWFJFHSA-N 454.625 2.333 30 10 JEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2ccc(CC)cc2)C1 1722451379 JMEWQLVCRIYEQL-PXNSSMCTSA-N 477.656 2.395 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN([C@@H](C)c2nc(CC)no2)CC1 1722492837 DQCIQNNKYLYJIM-NSHGMRRFSA-N 486.621 2.226 30 10 JEEE C=CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(OCC(N)=O)CC1 1722604796 KTWCDJLZYWCOOA-LJQANCHMSA-N 492.621 2.414 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc(Cc2ccccn2)n1CC1(O)CCS(=O)(=O)CC1 1722658124 FOBUZBHXPKEYEX-UHFFFAOYSA-N 467.595 2.396 30 10 JEEE C=CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@]1(O)CCC[C@@H]1C 1722680124 XZJQHDAZXMKCIX-HTAPYJJXSA-N 462.620 2.428 30 10 JEEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 1722702844 SDCBIQLJCNWKQU-UHFFFAOYSA-N 480.529 2.414 30 10 JEEE C[C@@H](c1nccs1)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(C)(=O)=O)CC1 1723768724 GEMYPKROMKSZKY-INIZCTEOSA-N 471.612 2.201 30 10 JEEE C#CCCCCn1c(Cc2csc(C)n2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1740574361 HULFIKGXRSFIDK-UHFFFAOYSA-N 450.634 2.298 30 10 JEEE C#CCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1740594300 HYFUUTFHIVLYRT-VWNXMTODSA-N 466.630 2.296 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1CC(C)(C)COCC)[C@@H]1CCS(=O)(=O)C1 1740621032 SPOXBVKXDPWTQR-GOSISDBHSA-N 474.583 2.363 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1C[C@H]1CC[C@@]2(CCOC2)O1 1740680795 NVHAPKYVYXZMMG-UTKZUKDTSA-N 478.391 2.470 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2oc(CCC)nc2C)CC1 1740703044 DSMSWRUTBBSLRH-VWLOTQADSA-N 484.601 2.193 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@H]2CCCN(C(C)C)C2)CC1 1740707084 ODGSAPSULXSARR-QFIPXVFZSA-N 463.630 2.350 30 10 JEEE C#CCSCCn1c(Cc2ccsc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1740721025 UXPSRLMHFWKUTP-UHFFFAOYSA-N 453.659 2.157 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(CCOc2ccccc2)n1CCN/C(O)=C1\N=CC=CC1=O 1740733852 LYDHLXZZQXMWLN-RMPPEFSYSA-N 460.538 2.418 30 10 JEEE C=C(Br)Cn1c(-c2ccccn2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1740741601 OAHAYKYZLFAMPJ-KXBFYZLASA-N 474.407 2.238 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccnc2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1740757111 MZWHRTSHDYAFNW-GMAHTHKFSA-N 467.618 2.312 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)Nc2ccccc2CC)CC1 1740809443 HWNRRIHRSBNACT-IBGZPJMESA-N 471.993 2.305 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H]1c1ccc(OC)c(OC)c1 1740951129 QDVZDZJVFCFWPT-GOSISDBHSA-N 468.558 2.175 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1740953914 VOTVGDZBFSGPNE-UHFFFAOYSA-N 481.463 2.384 30 10 JEEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1740962723 MMVQIOOBLSGWIL-UHFFFAOYSA-N 455.563 2.008 30 10 JEEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(CC(C)(C)C)n1CC1([S@](C)=O)CC1 1743231458 DHYSWBCFFJTOTM-FTDQSSOUSA-N 456.620 2.155 30 10 JEEE CCN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1C[C@@H](C(C)C)N1CCOCC1 1746335381 AELHWFKVPYHDGW-NRFANRHFSA-N 474.631 2.044 30 10 JEEE Cn1ncc(CCCn2c(-c3ccc(C#N)cc3)nnc2N2CCN(CC(F)(F)F)CC2)n1 1748066171 HGYCAKPTRUMOAZ-UHFFFAOYSA-N 459.480 2.262 30 10 JEEE C#CCN(c1nnc(-c2cc3ccccc3o2)n1CCSCCCO)[C@@H]1CCS(=O)(=O)C1 1748807793 CPEFHHOXXIEWGB-GOSISDBHSA-N 474.608 2.434 30 10 JEEE C#CCN(c1nnc(-c2ccccc2F)n1Cc1ncnn1C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1748809697 PGDYRBCJIOPAGD-INIZCTEOSA-N 471.562 2.106 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@](C)(O)c1cc(C)oc1C)[C@H]1CCS(=O)(=O)C1 1748811072 BBKHCSNUPRHAJO-CVDCTZTESA-N 469.567 2.084 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H](C)CN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1748811825 LYDPEJJFJBTHBB-UXHICEINSA-N 456.616 2.089 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC1C[C@H](C)O[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1748815656 SONBPEMCTWJNKT-ZULIPRJHSA-N 450.605 2.350 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1C[C@@H](C)CNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1748817316 ISIBXTHSSJXNPD-ROUUACIJSA-N 467.636 2.264 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccccc2C)n1 1748971262 JWRUOGOUHUVAJE-NRFANRHFSA-N 482.610 2.020 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCCc3ccccc3)n2CCc2n[nH]c(C)n2)CC1 1749015158 AACGPUVBGVVCTQ-UHFFFAOYSA-N 460.586 2.088 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1749020527 WLWBJJRAUWCIIU-HXUWFJFHSA-N 485.635 2.140 30 10 JEEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CCN(CCOCC)[C@H](CC)C1 1749109183 FMYCTNFGDRZWHI-QGZVFWFLSA-N 469.428 2.246 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)c1ccccn1 1749159630 WKMDLYRJRKOMQE-GOSISDBHSA-N 462.620 2.386 30 10 JEEE Cc1cc(C)cc(OCc2nnc(N3CC[C@](F)(C#N)C3)n2CCC(=O)N2CCOCC2)c1 1751399934 FEUMEBBIOVDYPB-QHCPKHFHSA-N 456.522 2.165 30 10 JEEE Cc1ccc(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@H](C)CC#N)c(C)c1 1751502428 DSOGLVFIMMIEFS-QUCCMNQESA-N 460.604 2.209 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@H]1CN(CC(C)C)CCO1 1760250413 ZFEWNSQCBAXMJT-NFBKMPQASA-N 469.586 2.233 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2C[C@@](C)(O)[C@@H](C)CC)CC1 1760268234 GJXBUGUZUDHKSB-MRDQGFSESA-N 491.596 2.357 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OCC)c(OC)c2)n1CC1(O)CCS(=O)(=O)CC1 1760292176 SDICEVDZGQOJHY-HSZRJFAPSA-N 488.610 2.284 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1760374070 HWWBQDXVIZLUHU-CQSZACIVSA-N 457.387 2.308 30 10 JEEE C=CCN(CC=C)c1nnc(COc2ccc(Cl)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1760497235 WVTDVYOMWDROIM-HXUWFJFHSA-N 452.964 2.239 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(Cc2ccccc2OC)CC1 1760552406 MMESDZSHNUOLPR-UHFFFAOYSA-N 470.599 2.205 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCO[C@H](c2ccc(F)cc2)C1 1760553929 MDXLHSQFPJUODO-IBGZPJMESA-N 458.519 2.053 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@H](C(=O)NC)C1 1760557742 VGNKFXLZSZPOIL-INIZCTEOSA-N 482.006 2.074 30 10 JEEE CCN(CC)[C@@H](C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@](F)(C#N)C1 1766586287 GLAMOXKUFDFQPG-JTSKRJEESA-N 477.610 2.368 30 10 JEEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](N1CCOCC1)C(F)(F)F 1768633152 CXOPOSRBQZZZRQ-ROUUACIJSA-N 477.491 2.000 30 10 JEEE C=CCn1cc(OCC(=O)NCCCO)c(=O)cc1CSc1nc(C)c(C)c(C)c1C#N 1870234537 DBDHWXCNOJAWRA-UHFFFAOYSA-N 456.568 2.396 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCc2ccc(OC)cc2)cn1CCOC 1870647657 MUAKGRUFZGJMNR-UHFFFAOYSA-N 455.555 2.373 30 10 JEEE CC[C@H](C)[C@@H](C(=O)NC1=C(c2nc(C)cs2)C(=O)CN1CCOC)N1C(=O)c2ccccc2C1=O 1873710427 DGSLVLPTENMZTB-XOBRGWDASA-N 496.589 2.478 30 10 JEEE COCCN1CC(=O)C(c2nc(C)cs2)=C1NC(=O)[C@H]1CC(=O)N([C@@H](C)c2ccccc2)C1 1873710505 HRNCVNGVSMPGEK-WMZOPIPTSA-N 468.579 2.377 30 10 JEEE COc1cccc(/C=N/n2c(CNC(C)=O)nnc2SCC(=O)NCc2ccccc2)c1OC 1874435881 CDPNUEIZNQFHBI-LGJNPRDNSA-N 482.566 2.222 30 10 JEEE COCCc1nnc(SCC(=O)NCc2ccccc2)n1/N=C/c1ccc(O)c([N+](=O)[O-])c1 1874474904 YPCLQOWIHXJVOP-YDZHTSKRSA-N 470.511 2.372 30 10 JEEE C=CCNC(=O)C[S@](=O)CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1990668276 KSVZWUPWUBDSGO-GSTQUKTASA-N 470.547 2.419 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N=c2nc(CNC(=O)OC(C)(C)C)[nH]s2)C1 2247565087 OTIVMBJGLJRZQR-UHFFFAOYSA-N 451.549 2.230 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](NS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2247904170 MYAYPPPXYOBIJM-ZDUSSCGKSA-N 458.411 2.335 30 10 JEEE CC(C)(C)OC(=O)NCCCOCCNC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2255647221 VIDQJPCHGSGNAN-UHFFFAOYSA-N 455.386 2.104 30 10 JEEE CC1(C)OB(c2ccoc2C(=O)NC[C@H]2CN(C(=O)OCc3ccccc3)CCO2)OC1(C)C 2255815860 UUHJYDZHPHUMAT-SFHVURJKSA-N 470.331 2.346 30 10 JEEE CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2255875063 QUNMDTLHZFEONV-GJZGRUSLSA-N 452.382 2.411 30 10 JEEE CN(Cc1ccccc1)C1CN(S(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2255932983 ITOUMOSRUDNWPJ-UHFFFAOYSA-N 463.434 2.088 30 10 JEEE C[C@@H](c1cscc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)[C@H](O)CNC(=O)OC(C)(C)C 2256613314 IJPXJOWKHZUQHZ-XJKSGUPXSA-N 454.398 2.452 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)C[C@@H]1CCO 2267016105 YSVNBAMMZLQSOK-INIZCTEOSA-N 450.341 2.023 30 10 JEEE Cc1c(B2OC(C)(C)C(C)(C)O2)csc1C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O 2267104568 YQVSCCCXPWRFSD-CVEARBPZSA-N 466.409 2.456 30 10 JEEE CN(C[C@H](O)COCc1ccccc1)S(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2267715520 YKFRMKGSBHNXLU-FQEVSTJZSA-N 461.389 2.184 30 10 JEEE CO[C@H](CNC(=O)OC(C)(C)C)C(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)ccc1F 2268679008 LBWFYNCHCNEUST-QGZVFWFLSA-N 452.332 2.281 30 10 JEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CCOc2cccc(B3OC(C)(C)C(C)(C)O3)n2)C1 2281454252 FWGUTCMUFIROTM-INIZCTEOSA-N 482.408 2.184 30 10 JEEE Cn1ncc(C(=O)N[C@H]2CC[C@H]3C[C@H]2CN3C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2281824144 IZLBHEBGVOHNBP-ZOBUZTSGSA-N 460.384 2.237 30 10 JEEE Cn1cc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]3CC[C@H]32)c(B2OC(C)(C)C(C)(C)O2)n1 2281971841 KXCNXICYJLASMA-UAGQMJEPSA-N 460.384 2.237 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1[C@H](NC(=O)c1ncc(B3OC(C)(C)C(C)(C)O3)cn1)C2 2282027936 XCORBUWWMITKFT-UAGQMJEPSA-N 458.368 2.294 30 10 JEEE CN(CCc1nc(NC(=O)c2occc2B2OC(C)(C)C(C)(C)O2)n[nH]1)C(=O)OC(C)(C)C 2282051178 RWNYREPURPOCLN-UHFFFAOYSA-N 461.328 2.359 30 10 JEEE C[C@@H](O)CN(CCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1F)C(=O)OC(C)(C)C 2282139784 XMONWGKFTNIMBD-OAHLLOKOSA-N 466.359 2.473 30 10 JEEE C[C@H](O)CN(CCNC(=O)c1ccc(F)cc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2282400431 YDHMOVRCGMNTIK-HNNXBMFYSA-N 466.359 2.473 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2c(F)cccc2B2OC(C)(C)C(C)(C)O2)[C@@H](CO)C1 2282466409 DKWRTRPPAZJFQE-OAHLLOKOSA-N 464.343 2.179 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2[C@H](NS(=O)(=O)c3ccc(F)c(B4OC(C)(C)C(C)(C)O4)c3)[C@H]2C1 2282499539 DJDFISGELSMHEO-HWWDLCQESA-N 482.383 2.269 30 10 JEEE Cn1ncc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)CC2(C)C)c1B1OC(C)(C)C(C)(C)O1 2282570097 ZSQQZVYWBLFKAS-INIZCTEOSA-N 462.400 2.485 30 10 JEEE Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O 2282680581 PZCRFGBRSNUBAP-AEFFLSMTSA-N 460.380 2.252 30 10 JEEE CC(C)(C)OC(=O)NC1(CCNS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CCC1 2282828627 RTMNQGJHMOGKSD-UHFFFAOYSA-N 481.424 2.497 30 10 JEEE CN(C[C@H]1CCN(S(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1)C(=O)OC(C)(C)C 2282829911 MHKOLJOVTODCBO-MRXNPFEDSA-N 481.424 2.258 30 10 JEEE Cc1cc(S(=O)(=O)N2CCC[C@@H](CNC(=O)C(F)(F)F)C2)sc1B1OC(C)(C)C(C)(C)O1 2282838386 NTNXUQZDKYNMAQ-ZDUSSCGKSA-N 496.382 2.435 30 10 JEEE COCC[C@H](CNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1O)NC(=O)OC(C)(C)C 2282882872 RYPKJZCIMJTFJX-MRXNPFEDSA-N 464.368 2.351 30 10 JEEE CN(Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)[C@@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C 2283956533 RXDJKCDUMMFXQG-MOPGFXCFSA-N 460.380 2.315 30 10 JEEE C=CCN(CC(=C)B1OC(C)(C)C(C)(C)O1)C(=O)[C@@]1(NC(=O)OC(C)(C)C)CCS(=O)(=O)C1 2284065121 CVIOEOQVBNHVDI-JOCHJYFZSA-N 484.424 2.271 30 10 JEEE CN(C)CCN(CC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F)C(=O)OC(C)(C)C 2284066994 CRURDTAPEOQMHJ-UHFFFAOYSA-N 466.363 2.257 30 10 JEEE CCn1cc(C(=O)N2C[C@H]3C[C@@]3(CNC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2288262177 YOQLYVGFMHRSOH-IQMFZBJNSA-N 460.384 2.189 30 10 JEEE COC(CN=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)OC 2297472115 XWFDREYZNGAQBP-XJVGGPHUSA-N 491.625 2.389 30 10 JEEE Cn1cc(C(=O)N2CCC([C@H]3CN(c4ccc(C#N)c(C(F)(F)F)c4)C[C@@H]3C(N)=O)CC2)cn1 2297650945 WQVNBPQZDOQVKJ-MOPGFXCFSA-N 474.487 2.401 30 10 JEEE CC#CCN(CC(=O)NC1(C(=O)O)CCN(C(=O)OC(C)(C)C)CC1)C(=O)OC(C)(C)C 2327115396 KMLNNYWWOFIDOJ-UHFFFAOYSA-N 453.536 2.217 30 10 JEEE COc1cc(Br)cc(C=Nn2c(SCCO)nnc2[C@H]2CC(=O)N(C(C)C)C2)c1O 2329056167 BXQQBOSFPRXGIE-ZDUSSCGKSA-N 498.403 2.446 30 10 JEEE CCCOC(=O)CSc1nnc(CNC(C)=O)n1N=Cc1cc(Br)ccc1O 2330796581 ISUNHRGHGKXHFG-UHFFFAOYSA-N 470.349 2.310 30 10 JEEE CC(C)(C)OC(=O)N1[C@H]2CCC[C@H]2C[C@@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2334387004 FMSSCHDIWBOINM-MELADBBJSA-N 464.397 2.376 30 10 JEEE CC(C)(C)OC(=O)N1CC(C(=O)N2CC[C@H]3C[C@]3(B3OC(C)(C)C(C)(C)O3)C2)(S(C)(=O)=O)C1 2379797116 LDNBRTKGFUIRLB-BTYIYWSLSA-N 484.424 2.105 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)Nc3ccc(S(=O)(=O)N(CC)CC)cc3)cc2C1=O 9702281 UBYKAHWZMLLJQG-UHFFFAOYSA-N 499.545 2.295 30 10 JEEE C=CCn1c(SCC(=O)N(C)CC(=O)N2CCOCC2)nc2sc3c(c2c1=O)CC[C@@H](C)C3 11019792 BVYRBKLWPXNLMJ-OAHLLOKOSA-N 490.651 2.178 30 10 JEEE CCOc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(F)c(C#N)c3)CC2)cc1OCC 488643925 KHJSGKRGERDASF-UHFFFAOYSA-N 497.570 2.190 30 10 JEEE COc1cc([C@H](C#N)NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)cc(OC)c1OC 609006322 IOPSJSWNRCJNQZ-IBGZPJMESA-N 473.551 2.494 30 10 JEEE CNS(=O)(=O)c1ccccc1N1CCN(CC(=O)N(CCC#N)c2cc(C)cc(C)c2)CC1 609040718 OAFUPQDRKMVQIS-UHFFFAOYSA-N 469.611 2.280 30 10 JEEE C#CCN(C(=O)c1ccc2c(c1)C(=O)N(c1cc(C)ccc1C)C2=O)[C@@H]1CCS(=O)(=O)C1 729332370 OFOCNZJSRBSYMJ-GOSISDBHSA-N 450.516 2.367 30 10 JEEE O=C(NCC#CC(=O)N1Cc2[nH]cnc2C[C@H]1C(=O)O)OCC1c2ccccc2-c2ccccc21 757474048 GNWINRLTQPQKED-QHCPKHFHSA-N 470.485 2.290 30 10 JEEE Nn1c(NN=Cc2cc(Br)ccc2O)nnc1SCC(=O)NCc1ccccc1 1084016306 ZRJKXOGJQCRPEN-UHFFFAOYSA-N 476.360 2.315 30 10 JEEE C=CCC[C@H](CO)NC(=O)c1cccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c1 1140626977 MAVRKPLMQHLSCI-JOCHJYFZSA-N 457.596 2.250 30 10 JEEE C#CCN(c1nnc(C2CCN(c3ncccn3)CC2)n1CCCCC)[C@@H]1CCS(=O)(=O)C1 1286396125 UIMGRBVJURNZRW-HXUWFJFHSA-N 471.631 2.269 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@](C)(O)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 1286396576 WEGNVKZOMGPXTR-SXWKCWPCSA-N 464.632 2.478 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCCCCOC)CC1 1286489327 OHQNQCJGMOLESJ-UHFFFAOYSA-N 467.570 2.499 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2CCNC(=O)Cc2cccc(F)c2)CC1 1286490854 UZGRJTLJDCWBRS-UHFFFAOYSA-N 466.561 2.009 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 1286509532 SNIFQMHNYWTDFA-PKOBYXMFSA-N 479.697 2.491 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCCN(C(C)=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1286564473 VPSYQAQFHGPHTR-ZFGGDYGUSA-N 461.607 2.359 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC)nc1 1286746297 VBPLBTVIQLJOCU-NRFANRHFSA-N 498.609 2.256 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N(C)C1CCC2(CC1)OCCO2 1286792706 GAXZRHSDXDGJES-UHFFFAOYSA-N 471.558 2.290 30 10 JEEE CC(C)NS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(C#N)CC1 1288275269 ABAPTVUXZMJEHI-QZTJIDSGSA-N 452.625 2.264 30 10 JEEE Cc1cccc(C(=O)NCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(CC#N)CC2)c1 1289889651 GXOWNRUEVLWQDL-FQEVSTJZSA-N 470.599 2.049 30 10 JEEE CN(Cc1cccc(C#N)c1)c1nnc(-c2cccnc2)n1CCS(=O)(=O)N1CCSCC1 1298326812 ABVFPAMMBFULLA-UHFFFAOYSA-N 483.623 2.227 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1Cc1cc(C)cc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1300487825 MJKNHBTUMPNYQT-LJQANCHMSA-N 453.568 2.276 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H](C1CCCCC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1300495365 GHNYFGUZENYZCZ-VSKRKVRLSA-N 477.675 2.309 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1oc(CCC)nc1C)[C@@H]1CCS(=O)(=O)C1 1300495526 IGYZGSDWHBLNFU-QZTJIDSGSA-N 461.588 2.444 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCn1nc(C)cc1C 1300527834 LKTGYZRXFGRIKI-UHFFFAOYSA-N 454.538 2.168 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCOc2cccc(Cl)c2)CC1 1300719911 VGALCVBWKLQMIH-UHFFFAOYSA-N 467.961 2.377 30 10 JEEE C#CCSCCn1c(-c2ccccc2C)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1300751089 FJCOGBYRVADRAM-UHFFFAOYSA-N 461.595 2.440 30 10 JEEE C=C(Br)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H]2OCO[C@@H]2C1 1300849969 UFNUNLOLKVOFBC-SOUVJXGZSA-N 486.367 2.057 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCN(C(C)C)C1 1300915651 PPEUMTPTGBWPPU-UXHICEINSA-N 468.668 2.134 30 10 JEEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1300982781 QNUXZDVBMKNGLF-NRFANRHFSA-N 469.634 2.399 30 10 JEEE C=CCCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2cc(F)cc(F)c2C1 1301239016 JWEHUICOORUJOQ-CQSZACIVSA-N 455.531 2.322 30 10 JEEE C=CCn1c(-c2ccc(OC)cc2)nnc1N1C[C@@H]2[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1301445722 GHQGKOPJCPKHFG-CEXWTWQISA-N 489.598 2.266 30 10 JEEE CCN(CCCn1c(CC(C)(C)C)nnc1N1CCN(c2ccc(C#N)cn2)CC1)S(C)(=O)=O 1313800904 IADXSCATDSCKOO-UHFFFAOYSA-N 488.662 2.132 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@H]2CCC[C@@H]2OC)c1 1358900176 DDZVNENOKOROGU-QUCCMNQESA-N 452.559 2.288 30 10 JEEE C#CCCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1358904855 NCZIKTAYTKGRBZ-WMZOPIPTSA-N 470.961 2.022 30 10 JEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1C[C@H]1CCCCS1(=O)=O)[C@@H]1CCS(=O)(=O)C1 1358958963 ZCLSNOBNXHFSGN-RTBURBONSA-N 497.042 2.193 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC(=O)NCCC 1358977309 JTMWLTLGHSORQO-IBGZPJMESA-N 456.591 2.382 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1([S@](C)=O)CCC1 1358987994 YZCDRZUAYZITEW-PMERELPUSA-N 458.609 2.113 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCN2CCCCC2)CC1 1359042315 AOZFHZIYVOAVOA-UHFFFAOYSA-N 480.613 2.414 30 10 JEEE C=C(C)COCCn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1359137616 VFUDSCATJGJMOA-LEWJYISDSA-N 460.623 2.245 30 10 JEEE C=CCSCCn1c(-c2cccc(C)n2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1359341370 VDSAZRQFRHGXMK-UHFFFAOYSA-N 489.627 2.208 30 10 JEEE CC(C)NC(=O)CCn1c(COc2ccc(Br)cc2)nnc1N1CCO[C@H](C#N)C1 1360269293 DXYDWWLLDIYCFO-QGZVFWFLSA-N 477.363 2.263 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)N2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)ccc1F 1448730090 MZBGNFNCCPOMSQ-IYBDPMFKSA-N 453.536 2.229 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1Cc1cn(C2COC2)nn1 1507523197 JHXLGVCJRGWDQZ-MRXNPFEDSA-N 451.531 2.410 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC1=CCc2ccc(OC)cc21 1507536496 CIKKXAWBOHBGGY-VGOFRKELSA-N 485.610 2.107 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1C[C@H]1CCCCS1(=O)=O)[C@H]1CCS(=O)(=O)C1 1507626052 CMGKDPQXXAIVEK-LEWJYISDSA-N 490.651 2.102 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCCCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1507630622 DJKHRKSHHBKWDW-FQEVSTJZSA-N 467.599 2.261 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H](C(CC)CC)N(C)C)[C@H]1CCS(=O)(=O)C1 1507632540 NABXFQNADKTPDW-HKBOAZHASA-N 465.664 2.165 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(C#N)o1)[C@@H]1CCS(=O)(=O)C1 1507637568 LAZQDDUAZXVZMV-NSISKUIASA-N 471.583 2.336 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1CCN1CCc2ccccc2C1 1507702541 MFHYUFLIMZSLQE-UHFFFAOYSA-N 459.554 2.070 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCOC3)n2Cc2cnc(C)s2)n1 1507716135 HCJILPLAQOVLFA-SFHVURJKSA-N 455.588 2.468 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCCO[C@H](C)C2)CC1 1507735227 OSNNBQNUVWMGIL-OAQYLSRUSA-N 489.624 2.283 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CC2CN(C(=O)OC(C)(C)C)C2)CC1 1507739041 LJBCDMLZPFVOGU-FQEVSTJZSA-N 486.617 2.352 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(C(=O)N(CC)CC)cc2)CC1 1507739051 LNNRBEZQGPRUOM-HSZRJFAPSA-N 492.624 2.278 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccc(OCCOC)cc2)CC1 1507741310 PRILSTGWEYTPJK-JOCHJYFZSA-N 467.570 2.169 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OCC)c(OC)c2)n1CCNS(=O)(=O)CC 1507763578 XTYONDDQWJNZNC-JOCHJYFZSA-N 461.588 2.284 30 10 JEEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCN(C)Cc2ccccc2)CC1 1507832314 YJKUQRMQXCBMDF-JOCHJYFZSA-N 472.659 2.010 30 10 JEEE C=CC[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1)c1ccccc1 1507930670 YXFVATQVFPLJAA-VQTJNVASSA-N 450.587 2.374 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@H](O)CC2(CCCC2)C1 1508072320 JDJUXBPFBCOIPV-GOSISDBHSA-N 455.559 2.396 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(c2nc(C)cs2)CC1 1508094597 PDILUJFLJKIOFJ-UHFFFAOYSA-N 471.562 2.390 30 10 JEEE COCC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)N2CCC[C@H](C)C2)CC1 1518654391 HIEBSPODGSTLCI-LEWJYISDSA-N 495.628 2.144 30 10 JEEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CCc1cc(F)cc(F)c1)[C@H]1CCS(=O)(=O)C1 1539207111 ZJHCUKKCNHRHIL-NZQKXSOJSA-N 494.564 2.078 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCS(=O)(=O)C1 1539337368 HYDPNKUIOFRZIQ-MOPGFXCFSA-N 475.615 2.248 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(F)cc2Br)n1C[C@H]1CCS(=O)(=O)C1 1539406181 VPUAZQNJBBIEBI-CQSZACIVSA-N 485.379 2.367 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1COCCO1 1539669150 LYEYNGBQCDKIOA-QZTJIDSGSA-N 451.568 2.404 30 10 JEEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2ccc(OCC)cc2)CC1 1539684776 GGJUUJGZUGGTKQ-GOSISDBHSA-N 462.620 2.185 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCCCO2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1539751862 WPUUSARDVCDIEF-NRFANRHFSA-N 471.606 2.492 30 10 JEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1539810669 CTYJUJVUEJACDK-ROUUACIJSA-N 450.967 2.393 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1539917579 WMULGCBLJIDTTB-HXUWFJFHSA-N 460.623 2.103 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N(C)CC(=O)Nc1c(C)cc(C)cc1C 1540869991 BWFVSBUBYMCKGP-LJQANCHMSA-N 454.575 2.474 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1CC[C@](C)(N2CCOCC2)C1 1540875194 DHLAQMQQMGXJRX-DEOSSOPVSA-N 486.642 2.182 30 10 JEEE C#CCn1ccc(CN(CCOC)C(=O)c2ccc(S(=O)(=O)N3CCCC[C@@H]3C)cc2)n1 1543692745 SSXSLORRELBCQD-IBGZPJMESA-N 458.584 2.368 30 10 JEEE CC[C@H](C)NC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCOC2)CC1 1545716970 CVJGGNYYHLBMSI-RBBKRZOGSA-N 495.628 2.192 30 10 JEEE CCn1cc([C@@H]2C[S@](=O)CCN2C(=O)COc2cccc(Br)c2C#N)cn1 1556441632 GGOHREHWCZOJPC-RKOGDMNLSA-N 451.346 2.248 30 10 JEEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CCS(C)(=O)=O)C1CC1 1587861884 RACRVLSEQRKLKC-GOSISDBHSA-N 481.619 2.013 30 10 JEEE C#CCCCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1587865462 PHHBUOZZPCNDSG-HNNXBMFYSA-N 454.485 2.092 30 10 JEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCSCc1ccccc1)[C@H]1CCS(=O)(=O)C1 1588024392 AXIRELQFVVRXBP-FQEVSTJZSA-N 487.651 2.074 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1CCc1cn[nH]c1)[C@@H]1CCS(=O)(=O)C1 1588041415 WWXGQJAPCZXUII-MRXNPFEDSA-N 462.938 2.330 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](c1ccc(C)cc1)N1CCOCC1 1588078096 AVNSOKXDGYWUDI-QHCPKHFHSA-N 483.576 2.380 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CCC(=O)N1 1588228960 NPHXFBFJGBKXPT-RTBURBONSA-N 454.575 2.134 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@]2(C)CN(C)C2=O)n1 1588723058 JAOWZLUXHJBZIN-YPCDYVTLSA-N 497.644 2.158 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(C)o3)n2CCOc2ccc(S(C)(=O)=O)cc2)CC1 1588768052 AJEMBVDUFPRKDR-UHFFFAOYSA-N 469.567 2.084 30 10 JEEE C#CCN1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CCCC(C)(C)COC)CC1 1588806257 LBVKMJOQQNNNJE-UHFFFAOYSA-N 487.674 2.446 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(C(=O)NC2CC2)cc1 1589070548 UUUXHUIJJKCAAU-IBGZPJMESA-N 487.651 2.075 30 10 JEEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1CCC(C(=O)NCCCOC)CC1 1589459979 IOGUVBOTVASQKC-MRXNPFEDSA-N 456.385 2.407 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCO[C@H]1C(C)C 1589664303 XPAFEFSGTNHZES-UFYCRDLUSA-N 469.652 2.465 30 10 JEEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C(=O)OC)[C@H](CNC(=O)OC(C)(C)C)C1 1594668694 KCUYDPKOUVMEHD-QZTJIDSGSA-N 490.605 2.230 30 10 JEEE C=CCN(CCc1ccco1)c1nnc(C(=O)N2CCCC2)n1CCN1CCOC(C)(C)C1 1595243580 BCVZCMANUWNCET-UHFFFAOYSA-N 456.591 2.453 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCCCC2(F)F)C1 1595728482 BUBNCQXAHSIZSM-KSZLIROESA-N 489.589 2.218 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(COc3cc(C)ccc3C)n2CC(=O)N2CCOCC2)C1 1595744574 MYDHXMCAZUUORH-FQEVSTJZSA-N 455.559 2.114 30 10 JEEE C#CCN(CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1616158357 DSJOXCQEMKAKQY-LJQANCHMSA-N 454.552 2.035 30 10 JEEE CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1CCCN1CCCCC1=O 1617268114 IFZXSCMMOABUDY-GOSISDBHSA-N 472.615 2.479 30 10 JEEE CN(C)C(=O)c1cccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(CC#N)CC2)c1 1617569789 ABJVPLBLLHOYHI-HXUWFJFHSA-N 470.599 2.060 30 10 JEEE N#Cc1ccc(S(=O)(=O)N2CCN(C[C@H]3CN(Cc4ccccc4)CCCO3)CC2)cc1 1642226119 ASTSQSJVYOIJSC-QHCPKHFHSA-N 454.596 2.156 30 10 JEEE COC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCCN1S(=O)(=O)c1cc(C#N)ccc1Cl 1663230124 HJHICKSMNYVOLS-OAHLLOKOSA-N 457.936 2.385 30 10 JEEE C#CCN(C)c1nnc(COc2ccc(OC)cc2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1689975269 QEDVMANYKJWMBP-RXVVDRJESA-N 473.599 2.139 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc2c(cc1OC(F)F)OCO2 1690077008 GPHBMIBVNLNHDT-CYBMUJFWSA-N 468.482 2.018 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(C)CCCO1 1690104558 ZJXBLUAFJYXFPX-JPYJTQIMSA-N 463.579 2.242 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2nnc(C)s2)CC1 1690138017 PGDPAUSTPCCRDI-UHFFFAOYSA-N 489.403 2.210 30 10 JEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(Cn2nc(C)cc2C)CC1 1690675144 QBAXJNUKBDGJNF-UHFFFAOYSA-N 465.606 2.172 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3nccnc3C)CC2)cc1 1690677982 GVRVORKLKKYZII-UHFFFAOYSA-N 476.585 2.454 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CC(C)(OC)C1 1690723624 XBBLOHYAIZUBBM-UHFFFAOYSA-N 486.598 2.062 30 10 JEEE Cc1ccc(C(C)C)c(OCc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@]2(O)CCS(=O)(=O)C2)c1 1693021129 IEVXLEFABZDART-GOTSBHOMSA-N 491.589 2.281 30 10 JEEE CC(C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCC[C@H](C)C2)CC1 1693679925 DSGMKSZJTXDUHQ-NRFANRHFSA-N 478.645 2.195 30 10 JEEE CC[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H](C)C#N)NC(=O)OC(C)(C)C 1694387087 ATOOJOFPHSRMPZ-OWCLPIDISA-N 454.597 2.079 30 10 JEEE C#CCN(CC#CC)c1nnc(COc2ccc(OC)cc2)n1C[C@@H]1CCCCS1(=O)=O 1705602545 ZDRPEVARXBSBAW-NRFANRHFSA-N 456.568 2.296 30 10 JEEE C#CCN1CCN(c2nnc(CC(C)C)n2Cc2ccccc2CN2CCC(O)CC2)CC1 1705639986 ATVDUPVPWWNLJL-UHFFFAOYSA-N 450.631 2.237 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CC(C)(C)c2cccc(OC)c2)CC1 1705643736 QNGYGQHFGMNNPZ-UHFFFAOYSA-N 480.613 2.369 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(C)nc4ccccc34)n2CCOCCCO)CC1 1705645057 KDBKGQZGMWKNKH-UHFFFAOYSA-N 476.581 2.167 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2c(C)noc2C)CC1 1705651312 RQUQJKCEAARSOZ-UHFFFAOYSA-N 473.537 2.348 30 10 JEEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@H](NC(=O)CCC)C1 1705658841 CBZOZOOKFYJADS-SFHVURJKSA-N 493.637 2.444 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)CC1 1705781586 CWJFSJNKKOENMN-MOPGFXCFSA-N 475.590 2.066 30 10 JEEE C=CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)CCCNC(=O)C1CCC1 1705886249 GLGXAFSBYQPAIB-UHFFFAOYSA-N 459.620 2.475 30 10 JEEE C=CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1705888644 KKTSANRBRNMIAA-YLJYHZDGSA-N 454.575 2.137 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN([C@H](C)c2cccc(OC)c2)CC1 1705903631 ZBJODFCWXXLZFK-TZIWHRDSSA-N 468.602 2.366 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@]2(OC)CCOC2)C1 1705924736 GCGRKXZBYFLZFM-IMWIBFENSA-N 493.605 2.173 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@H](c2cnn(C)c2)C1 1705933182 XDIIZXAIYPXQEA-KRWDZBQOSA-N 486.598 2.291 30 10 JEEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CC[S@](=O)C(C)(C)C 1706832106 HYNFCCPIHHPBBN-HOLBHBGLSA-N 451.618 2.233 30 10 JEEE CCNC(=O)C(C)(C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCO[C@@H](C#N)C1 1710311444 CVBGEXUPTQAPNE-MSOLQXFVSA-N 489.621 2.284 30 10 JEEE C#CCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(CC(=O)NC2CC2)CC1 1722326939 IJYPMRDHLLGOPN-SFHVURJKSA-N 454.550 2.371 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1CCC(=O)NC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1722364001 WDIMLDYYELXSNV-GOSISDBHSA-N 457.600 2.185 30 10 JEEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1C[C@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1722370960 GBQQDMDJXFJICE-WMZHIEFXSA-N 460.600 2.262 30 10 JEEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1nccc(C(F)F)n1 1722410170 UNWNKIWHTJNANI-UHFFFAOYSA-N 460.514 2.474 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CSc3ccc(C)cc3)n2CC(=O)NCC(F)F)CC1 1722450888 SROVAPGMAZRPCW-UHFFFAOYSA-N 490.580 2.226 30 10 JEEE C#CCSCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CC[C@@H](C(=O)OC)C1 1722463069 WIIGHWUTKCTHRY-OAQYLSRUSA-N 482.654 2.009 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCN1CCOCC1 1722672103 KCYICSCNEJKPGC-FQEVSTJZSA-N 476.622 2.487 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCS[C@H](C)[C@H]2C)nnc1[C@]1(OC(C)C)CCOC1 1722736832 KFTRPJOPYPKWJG-HLIPFELVSA-N 458.650 2.250 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cn3nc(C)cc3C)n2CC2(C(N)=O)CCCC2)c1 1740565632 ZCZMRGALLVOKSE-UHFFFAOYSA-N 488.596 2.242 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@@H](c1ccco1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1740624344 FQAMRRRXVIOZTA-MOPGFXCFSA-N 488.639 2.156 30 10 JEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1CCC(=O)N[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1740626328 UCSJQYAIGDICEU-XLIONFOSSA-N 492.045 2.454 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CC(C)(C)N1CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1740627080 XQKDCKSLHAKVLA-IRLDBZIGSA-N 484.670 2.401 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@H]2CCCN2CCCO)CC1 1740690730 MHJGZKCKRRCQDU-NHCUHLMSSA-N 470.593 2.159 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CC2(SC)CCOCC2)CC1 1740703819 BFYKDJKGZGDGDI-UHFFFAOYSA-N 454.600 2.218 30 10 JEEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(c2cccnn2)CC1 1740711391 MVKONVLBGAQCMU-UHFFFAOYSA-N 465.583 2.445 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(OC[C@H]2CCCCO2)CC1 1740717735 ZQPSLYMGNIOJHM-UYAOXDASSA-N 482.672 2.101 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2cn3ccccc3n2)nnc1N(C)CCCC(=O)NC 1740759452 IXTCUHHUCKUGME-MBSDFSHPSA-N 451.575 2.460 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(CC(F)(F)F)CC1 1740763226 ZRKVACMUNOEDSS-BZSNNMDCSA-N 491.580 2.236 30 10 JEEE C=C(Cn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)N(CC)CC)CC1)c1ccccc1 1740798355 HDBLCLBVIIOTQN-UHFFFAOYSA-N 462.602 2.382 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC(Cn3cccn3)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740966568 ZWMRWYUULJQXCI-BGYRXZFFSA-N 498.632 2.464 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]1c1ccc(C)cc1 1740992258 NRJQVPHRZIYXBL-PMACEKPBSA-N 478.640 2.431 30 10 JEEE CC(C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCCN1CCCCC1=O 1741371561 DLAFLQDYLYGHQE-SFHVURJKSA-N 451.579 2.181 30 10 JEEE Cc1ccnc(OC2CCN(c3nnc(-c4ccc(C#N)cc4)n3CCS(=O)(=O)N(C)C)CC2)c1 1742463242 GRRBYPVMCCFAPO-UHFFFAOYSA-N 495.609 2.459 30 10 JEEE Cc1nnc([C@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCNC(=O)C(C)(C)C)CCO2)o1 1742728239 DMJQFIVXLGUJMS-GOSISDBHSA-N 464.530 2.248 30 10 JEEE CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1745477777 FMUCVVTZYYDJNG-SFHVURJKSA-N 451.575 2.318 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2CCc2noc(CC)n2)c1 1748692819 PHQAJOHYBWFQRN-SFHVURJKSA-N 463.542 2.416 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1CC(O)(CC)CC)[C@H]1CCS(=O)(=O)C1 1748809438 SFVGLTBAXFXVAX-SFHVURJKSA-N 476.599 2.140 30 10 JEEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1Cc1ccccc1CN1CC[C@@H](O)C1 1748900591 HFDQJBKIWBXKBK-RUZDIDTESA-N 471.609 2.218 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(CNC(=O)c2cccs2)n1C[C@@]1(O)CCOC1 1748946872 SBKZOXKBOOJYIU-QHCPKHFHSA-N 469.542 2.200 30 10 JEEE C#CCN(CCOC)c1nnc(COc2ccc(Br)cc2)n1C[C@@H]1CCS(=O)(=O)C1 1748969766 ZUQKDRPJDXMEOP-INIZCTEOSA-N 497.415 2.140 30 10 JEEE C#CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCOCC1 1749038058 NLPFZRAUHCJDEI-KRWDZBQOSA-N 451.593 2.180 30 10 JEEE C=C(C)Cn1c(Cc2ccccc2OC)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1749196480 PVLGFTARZNBUJK-DENIHFKCSA-N 452.603 2.442 30 10 JEEE C=C(C)COCCn1c(Cc2cn3ccccc3n2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1749232019 BCJOGNYSPJNUKB-IBGZPJMESA-N 458.588 2.123 30 10 JEEE C=CC[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1)c1ccccc1 1749383240 TWWQTFRJTLZQIX-PZJWPPBQSA-N 486.642 2.344 30 10 JEEE C=CCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1749634035 VTJGUFUDQIPNOT-UHFFFAOYSA-N 492.628 2.412 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC(O)(Cc2ccccc2F)CC1 1749664492 OXPQAAJBGKRIQQ-UHFFFAOYSA-N 450.518 2.355 30 10 JEEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](c2ccccc2F)C1 1749677952 QCGWLDDWGOJHFR-GOSISDBHSA-N 484.557 2.289 30 10 JEEE CSc1cccc(F)c1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CC#N 1750274629 FCCHXHCUWOVVFG-WMLDXEAASA-N 482.607 2.259 30 10 JEEE CC(C)(C)NC(=O)CCn1c(Cc2ccncc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1750486449 GSWVJVUYTWYYGO-UHFFFAOYSA-N 473.585 2.162 30 10 JEEE C#CCCCn1c(COc2ccccc2CC)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1760158987 XITPCTGKNZWCBH-UHFFFAOYSA-N 466.586 2.006 30 10 JEEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(Br)ccc1OC 1760173728 BBUSZJMOKMSFKT-CYBMUJFWSA-N 453.362 2.069 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H](C)N1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1760185210 SCPPTEYBOXFKTG-PMACEKPBSA-N 456.616 2.087 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccc2OC)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1760323569 DVVLJFFNMQXAPT-JQVVWYNYSA-N 460.600 2.482 30 10 JEEE C=C(C)COCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1760353391 QIWLNBQUYATNIH-GOSISDBHSA-N 456.547 2.159 30 10 JEEE C=CCCCn1c(-c2ccccn2)nnc1N1C[C@@H]2[C@@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1760435369 HIPFEKXUSWSOBR-NEWSRXKRSA-N 488.614 2.433 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1CCCN1CCOCC1 1760478752 QQRCTLFBAKKJHY-UHFFFAOYSA-N 463.586 2.301 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1760525207 XPELLTODYAHIKY-IBGZPJMESA-N 454.550 2.053 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cc(F)cc(OC)c2)C1 1760542070 CRGIHYHWWIXPSZ-FUHWJXTLSA-N 450.536 2.158 30 10 JEEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 1760558933 FYBDZCKJXWFCOJ-LJQANCHMSA-N 496.703 2.264 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(c3c(C#N)cnc4ccccc34)CC2)n1C[C@H](C)N(C)C 1761234059 BKDKXCIQTOKETC-SFHVURJKSA-N 475.601 2.113 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1CC1CCOCC1 1761483894 AHCTYHJCMBDNTB-KRWDZBQOSA-N 488.614 2.234 30 10 JEEE CCOc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCOC[C@H]2OC)cc1OC 1767548391 GSTPRRAXGFGZLH-DBXWQHBBSA-N 457.531 2.133 30 10 JEEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)N2CCCCC2)CCO1 1769240627 GELCRMTYYPPSEU-FQEVSTJZSA-N 451.575 2.032 30 10 JEEE COC(=O)N1CCC(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N(C)C[C@H](C)C#N)CC1 1769462829 DSUYBQDNSPJLPL-MRXNPFEDSA-N 474.587 2.423 30 10 JEEE N#C[C@@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCN2CCCCCC2)CCO1 1771535886 BWFYJUUDGAKUAV-HXUWFJFHSA-N 471.993 2.466 30 10 JEEE COc1cc([C@@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2CCNC(C)=O)ccc1O 1862574273 HPLCAGUZRJQPCU-OAQYLSRUSA-N 470.478 2.132 30 10 JEEE O=C(O)c1ccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCCN2CCOCC2)cc1 1862596230 HKNSSPMFPKMJNZ-NRFANRHFSA-N 466.490 2.391 30 10 JEEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1cccc([N+](=O)[O-])c1 1862630702 ZZXKQZCLPLLKSN-IBGZPJMESA-N 453.407 2.038 30 10 JEEE COc1ccc(OC)c(C2=C(Nc3ccccc3C#N)C(=O)N(CCCN3CCOCC3)C2=O)c1 1863380604 IEXWFGQQLWURDG-UHFFFAOYSA-N 476.533 2.490 30 10 JEEE C=CCn1cc(OCC(=O)Nc2ccc3c(c2)OCO3)c(=O)cc1CN1CCC2(CC1)OCCO2 1870434724 ZJVFNOPMTSZWER-UHFFFAOYSA-N 483.521 2.119 30 10 JEEE COC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)(C)C)C2)n1/N=C/c1cccc([N+](=O)[O-])c1 1874277832 DFEKDGIHMVYUPK-MNUWJXFPSA-N 460.516 2.448 30 10 JEEE COc1cc(N2CCN(C(=O)[C@H]3SCC(=O)N(C(C)C)[C@@H]3c3ccc(C#N)cc3)CC2)nc(C)n1 1889715731 RBEGIWAUULTIDQ-RPWUZVMVSA-N 494.621 2.408 30 10 JEEE N#Cc1cccnc1OCC1CCN(C(=O)C[C@@H]2CSc3nc4c(c(=O)n32)CCC4)CC1 1891291731 ZUKHLHWCIPSTRM-QGZVFWFLSA-N 451.552 2.353 30 10 JEEE N#Cc1cccnc1OC1CCN(C(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 1891853613 GONTXIOMQCDTRS-UHFFFAOYSA-N 454.552 2.424 30 10 JEEE C#CCNC(=O)C[S@](=O)C(C)(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 2019026376 KAZBSCZPBJHVNU-JXNPFXPLSA-N 482.558 2.255 30 10 JEEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](NC(=O)OC(C)(C)C)CC[C@@H]1C(=O)O 2068508730 DUZXMMMMINUSGZ-HRCADAONSA-N 453.536 2.262 30 10 JEEE CC(C)(C#CC(=O)N1C[C@@H](NC(=O)OC(C)(C)C)CC[C@H]1C(=O)O)NC(=O)OC(C)(C)C 2082720664 LPGHPDVXTVJLPY-GJZGRUSLSA-N 453.536 2.262 30 10 JEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CCNCc2occc2B2OC(C)(C)C(C)(C)O2)C1 2157533558 WIPOFLPQMDBJPL-MRXNPFEDSA-N 484.424 2.093 30 10 JEEE COC(=O)[C@@H](CC(=O)NCc1cccc(B2OC(C)(C)C(C)(C)O2)c1)NC(=O)OC(C)(C)C 2180985532 QNGTWQAYJQFBDC-QGZVFWFLSA-N 462.352 2.058 30 10 JEEE CC(C)(C)OC(=O)N[C@H](C(=O)Nc1cc(Br)ccc1C#N)C1CS(=O)(=O)C1 2197525889 UNGGTLQXGPIMJQ-AWEZNQCLSA-N 458.334 2.197 30 10 JEEE C=CCC1(NC(=O)[C@@H]2[C@@H](O)[C@@H](O)CCN2C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)CC1 2200963980 NSMIYLBWDUAZCS-BZSNNMDCSA-N 483.606 2.180 30 10 JEEE Cc1sc(C(=O)N[C@H]2COC[C@@H]2NC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2255839829 ZNKACGKEYBRXPD-GJZGRUSLSA-N 452.382 2.378 30 10 JEEE CC(C)(C)OC(=O)NC(C)(C)[C@H](O)C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)s1 2256663217 MZXSVCNMFUVFBT-OAHLLOKOSA-N 454.398 2.328 30 10 JEEE CN(CC[S@@](C)(=O)=NC(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2266992863 DRMWUQUYSUMLIJ-JGCGQSQUSA-N 467.397 2.486 30 10 JEEE Cc1c(B2OC(C)(C)C(C)(C)O2)csc1C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O 2267104571 YQVSCCCXPWRFSD-JKSUJKDBSA-N 466.409 2.456 30 10 JEEE CCN(C[C@H](C)NC(=O)OC(C)(C)C)S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2267377466 ISGNOJJJHREPGO-HNNXBMFYSA-N 469.413 2.305 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@]1(CCF)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2268777525 ZEJGOAGXTYGVOG-FQEVSTJZSA-N 470.376 2.327 30 10 JEEE CO[C@H]1[C@H](CNc2cccc(B3OC(C)(C)C(C)(C)O3)n2)N(C(=O)OC(C)(C)C)C[C@H]1OC 2281493235 OWLYOXXLOIUWFU-FCEWJHQRSA-N 463.384 2.442 30 10 JEEE Cc1c(C(=O)N[C@@H]2C[C@H](NC(=O)OC(C)(C)C)C2(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281801686 ULXOHCHTZSPGES-CABCVRRESA-N 462.400 2.449 30 10 JEEE Cn1ncc(C(=O)NC[C@@]23CC[C@H]2CN(C(=O)OC(C)(C)C)C3)c1B1OC(C)(C)C(C)(C)O1 2281808611 DEQRRFOKJOGRPZ-NPMXOYFQSA-N 460.384 2.096 30 10 JEEE Cn1ncc(C(=O)NCC[C@H](NC(=O)OC(C)(C)C)C(F)(F)F)c1B1OC(C)(C)C(C)(C)O1 2281810696 SQTALYQASMBDFB-ZDUSSCGKSA-N 476.305 2.295 30 10 JEEE Cn1nc(C(=O)N2CCC[C@H]3[C@H]2CCN3C(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2281977304 NMOCAVAVGHGWQH-DLBZAZTESA-N 460.384 2.333 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H](C)[C@H](CNC(=O)OC(C)(C)C)C1 2282005564 QEMMPVNBLSLJCH-GDBMZVCRSA-N 462.400 2.261 30 10 JEEE CCn1cc(C(=O)N[C@@H]2C[C@@H](F)CN(C(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2282033338 SDZVOBSIHSVYLL-HUUCEWRRSA-N 466.363 2.280 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O 2282141212 GMZHHYCDZJTAGS-OALUTQOASA-N 460.380 2.394 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H]2CCN(C(=O)c3ncncc3B3OC(C)(C)C(C)(C)O3)C[C@H]21 2282191000 UMKAUWFOSJJZQQ-DOTOQJQBSA-N 458.368 2.247 30 10 JEEE CC(C)(C)OC(=O)N1CC2(CC[C@@H](CNC(=O)c3nscc3B3OC(C)(C)C(C)(C)O3)O2)C1 2282512936 LVJPEFMZUULYLR-AWEZNQCLSA-N 479.408 2.341 30 10 JEEE CN(CCCNC(=O)OC(C)(C)C)CCCNC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2282516965 NJAUARMJMSYKMQ-UHFFFAOYSA-N 482.456 2.409 30 10 JEEE Cc1c(C(=O)N=[S@@](C)(=O)CCN(C)C(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282550855 FJPTZCMGZMZQPD-XIFFEERXSA-N 484.428 2.133 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 2282587733 AWEPISUMEQAVFY-MRXNPFEDSA-N 462.400 2.405 30 10 JEEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)C1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2282625454 VQJCOLGNNCYCOB-HUUCEWRRSA-N 462.400 2.341 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H](NC(=O)c3nccnc3B3OC(C)(C)C(C)(C)O3)C[C@H]2C1 2283056657 PMBNQWHXHNKURL-ZSHCYNCHSA-N 458.368 2.151 30 10 JEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)N(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2283064539 ZQQJWCZGFPXUJY-JKSUJKDBSA-N 460.384 2.493 30 10 JEEE COCCCN1C(=O)C(=O)C(=C(O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@@H]1c1cccc(O)c1 2297056948 BIMKDNDBUOUUQR-FQEVSTJZSA-N 474.535 2.101 30 10 JEEE O=C1C[C@H](c2nnc(SCCO)n2N=Cc2ccc(O)c([N+](=O)[O-])c2)CN1Cc1ccccc1 2325924674 QHBUGRQHPCJSOC-KRWDZBQOSA-N 482.522 2.375 30 10 JEEE Cc1scc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2O)c1B1OC(C)(C)C(C)(C)O1 2343514545 UEXNWGBKJHCABR-HOTGVXAUSA-N 466.409 2.456 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H](C)N(C(=O)OC(C)(C)C)C[C@@H]2C)n1C 2362493473 IUPMRJLXKCBWIM-GJZGRUSLSA-N 462.400 2.498 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@H]2C[C@@H](NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)sn3)C[C@@H]21 2369090805 VHMFTKGSMNTGEI-CWRNSKLLSA-N 479.408 2.339 30 10 JEEE COc1cc(/C=N/Nc2nnc(SCC(=O)Nc3ccccc3C#N)[nH]2)cc([N+](=O)[O-])c1O 20836323 RHFVPYBLCNEYQG-ZVBGSRNCSA-N 468.455 2.476 30 10 JEEE C=CCn1c(SCC(=O)N2CCN(Cc3nnc(C(C)C)o3)CC2)nnc1C(F)(F)F 20840150 MAGMOAMBHJUHTI-UHFFFAOYSA-N 459.498 2.426 30 10 JEEE C=CC[C@H](NC(=O)c1cc(I)cc(I)c1O)C(=O)O 150079066 VQJDFDASVLDJNI-VIFPVBQESA-N 487.031 2.361 30 10 JEEE CCc1ccc(OC[C@@H](O)Cn2c(NN=Cc3ccccc3)nc3c2c(=O)nc(O)n3C)cc1 254790736 JCYSZKGNUKLBAK-SFHVURJKSA-N 462.510 2.284 30 10 JEEE C=CCNC(=O)CN1CCN(C(=O)c2nc(-c3cccs3)n(-c3ccc(F)cc3)n2)CC1 512709642 CNSJWUPDMOOZCT-UHFFFAOYSA-N 454.531 2.195 30 10 JEEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(Br)cc2I)CC1 524331375 HXVZYHADIQTFPH-UHFFFAOYSA-N 492.155 2.114 30 10 JEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(-c3ccccc3)n2)c(=O)n1-c1cccc(C(C)C)c1 917803785 MKGGVPTVLQQKKD-UHFFFAOYSA-N 496.596 2.408 30 10 JEEE COc1cc(C=NNc2nnc(SCC(=O)OC3CCCCC3)n2N)cc(OC)c1OC 1084177309 NAMXBSYXHFJIJQ-UHFFFAOYSA-N 464.548 2.432 30 10 JEEE C#CCOCCNC(=O)c1cc(I)cc(I)c1 1127499505 AXRRYWIVPYUPRB-UHFFFAOYSA-N 455.033 2.275 30 10 JEEE C=CC[C@H](NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccncc1 1136819787 DNZOYHRYPMIXNE-NRFANRHFSA-N 456.568 2.128 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)COc2ccc(C#N)c(Br)c2)CCO1 1154526278 DNQHXSHIZCCXLR-OAHLLOKOSA-N 454.321 2.452 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1CCOC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1286388376 OCEQMDPNCQGYKT-GOSISDBHSA-N 474.583 2.158 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)Oc1ccc(Cl)cc1 1286420500 QEAMROBMCUKESC-SJORKVTESA-N 463.991 2.472 30 10 JEEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)c1ccc(F)cc1 1286508929 LFDOAEKPYLIZEG-APWZRJJASA-N 481.619 2.314 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(C(OC)OC)c1 1286517490 RVPLIMWWEGRFKU-OPAMFIHVSA-N 461.588 2.220 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(F)cn2)CC1 1286546014 FJNHHGZIOWZJME-FXAWDEMLSA-N 457.554 2.258 30 10 JEEE C=C(Br)Cn1c(N2CCC3(CC2)COC(=O)N3)nnc1[C@@]1(OC(C)C)CCOC1 1286548676 PKOCBNFZURJOCM-LJQANCHMSA-N 470.368 2.306 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1286549614 APFWMWLAJOMVLU-CMCXCUNFSA-N 489.642 2.384 30 10 JEEE C=CCCOCCn1c(-c2ccccc2Br)nnc1N1CCO[C@@H](C(=O)NC)C1 1286708489 DVFKFYSVRIZVOW-QGZVFWFLSA-N 464.364 2.252 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1286782117 KTCUREHLKDTSQB-UHFFFAOYSA-N 488.658 2.405 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H]2CCCO2)nnc1N1CCCN(S(C)(=O)=O)CC1 1286798037 GMGCERVBMOOGNC-HXUWFJFHSA-N 461.588 2.214 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cnccn3)n2CCNc2nccc(C(F)(F)F)n2)C1 1286807520 CXUPVSLDNJKBHY-AWEZNQCLSA-N 461.452 2.437 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1286815288 QOTIHPQIKWHJKX-KRWDZBQOSA-N 473.020 2.213 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1286816035 DVWVAQOQWBHHRM-HSZRJFAPSA-N 471.583 2.192 30 10 JEEE COC(=O)c1ccc2c(c1)N(C(=O)C1CCN(S(=O)(=O)c3ccc(C#N)cc3)CC1)CC2 1289717270 FQMBRNMTGHXSAM-UHFFFAOYSA-N 453.520 2.335 30 10 JEEE CCc1nc(CN(C)c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCS(=O)(=O)C2)cs1 1292726156 BORAABLVVRHHCI-OAQYLSRUSA-N 472.596 2.022 30 10 JEEE CCC[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1293833653 FPQJUBBCJWCSAG-PGRDOPGGSA-N 461.588 2.293 30 10 JEEE CCCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1294890357 DIGAMYKJTOSNAY-UHFFFAOYSA-N 461.574 2.020 30 10 JEEE C#CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(S(C)(=O)=O)CCC1 1300457362 CARIAALTLKTFJA-KRWDZBQOSA-N 465.620 2.429 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4ccccc4n3)n2CC[S@](=O)CC)CC1 1300718899 IHVBOHKWUVKUSB-MGBGTMOVSA-N 464.595 2.228 30 10 JEEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@H](CCOC)C1 1300756565 PVUGFWXAZVKZRI-QGZVFWFLSA-N 452.584 2.421 30 10 JEEE C=CCC(C)(C)Cn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1301150678 ZPYXFQRIURFPQH-UHFFFAOYSA-N 453.591 2.424 30 10 JEEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1301223171 OJQAWCFYYBCGGX-NRFANRHFSA-N 454.600 2.340 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC[C@@H](C(=O)NC)C1 1301515345 SLQPDZKFDPYDGL-CQSZACIVSA-N 481.384 2.429 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@H](c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2cccc(C(N)=O)c2)C1 1302223216 DAJXEKYJIYRZLO-PMACEKPBSA-N 495.584 2.269 30 10 JEEE CC(C)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCCS2(=O)=O)[C@H](C)C1=O 1303185460 DEEJFNMYXGVSSQ-NQIIRXRSSA-N 484.626 2.477 30 10 JEEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCOC[C@H]2OC)C[C@@H]1C 1316127847 BOIGOUJYRVABNX-YUXAGFNASA-N 454.575 2.025 30 10 JEEE C#CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)NCC)CC1 1358913024 DFPWTRRWTXNAGA-IBGZPJMESA-N 489.621 2.242 30 10 JEEE C#CCCCn1c(Cc2ccccn2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 1358931536 FECCDCQQLOWWEY-GGAORHGYSA-N 463.630 2.494 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1cnn(CC(C)C)c1C)[C@H]1CCS(=O)(=O)C1 1358961270 VMWZXJVJNLLRDG-NRFANRHFSA-N 481.626 2.484 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1CCCOC1CCCCC1)[C@H]1CCS(=O)(=O)C1 1358963573 KIURJJUDESATSJ-OALUTQOASA-N 450.605 2.148 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1Cc1cccnc1OC)[C@@H]1CCS(=O)(=O)C1 1358967186 FTBIVQCUYOYFLX-LJQANCHMSA-N 485.541 2.075 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3CC)n2C[C@H]2CCOC[C@H]2OC)CC1 1359039158 YMRPULRCVAFTED-FYYLOGMGSA-N 453.587 2.226 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H]2CCCO2)CC1 1359042901 YEPCACYPKKQWIN-LJQANCHMSA-N 453.543 2.107 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[S@@](=O)C(C)(C)C)CC1 1359043420 SYQUNQOZFLSLFH-MGBGTMOVSA-N 466.611 2.330 30 10 JEEE C#CCSCCn1c(-c2ccccn2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1359054387 UEJHTMYMSDXVQO-KNQAVFIVSA-N 467.643 2.085 30 10 JEEE C#CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1359058121 TTWKVIHRLJFBHW-FCEWJHQRSA-N 464.613 2.415 30 10 JEEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C2CCOCC2)C1 1359076585 GLVVECYXZDWBIE-DZGCQCFKSA-N 462.414 2.050 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(=O)NCCCC)C1 1359084901 VSJRNMHBIOLMFJ-JKSUJKDBSA-N 488.452 2.222 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ccc(C)cc1 1359113143 ASPDPPAGIWODDK-HXUWFJFHSA-N 463.604 2.401 30 10 JEEE C=CC[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1)c1ccccc1 1359196196 ZBZFXVRGLHKDSY-FGZHOGPDSA-N 480.613 2.315 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(C)no1 1359255759 JIRQIDDBRRUPKM-INIZCTEOSA-N 455.544 2.297 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CCO[C@@H](C(F)(F)F)C1 1359305104 SUSOESWTRVCQAM-QGZVFWFLSA-N 453.465 2.489 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccc(C(=O)NCCC)c2)C1 1359321093 ZVBKBZVVXDFQFR-UXHICEINSA-N 452.559 2.199 30 10 JEEE CC(=O)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCOC[C@@H]2CCCO2)CC1 1359374759 NJBGTDYGVMPDJC-QFIPXVFZSA-N 452.559 2.461 30 10 JEEE CC(C)(C)OC(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CC(N)=O)C1 1359572927 CGMRAJDZROASFY-KRWDZBQOSA-N 453.547 2.433 30 10 JEEE CC(C)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)CN2CCOCC2)CC1=O 1360031367 FNRZLNUFQTYMAB-OAQYLSRUSA-N 495.628 2.002 30 10 JEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2[C@H]3CC[C@@H]2C[C@@](O)(c2ccnn2C)C3)cc1 1465259036 IVDUBNFYORYTDG-OEWRPIJISA-N 459.572 2.273 30 10 JEEE CCOC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2CCS(=O)(=O)CC2)C1 1502525945 CNTIFLWUUFNYHN-HXUWFJFHSA-N 486.598 2.356 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OCc2ccccn2)cc1 1507518711 WNDOOSHTOZSIMQ-ZWKOTPCHSA-N 468.583 2.369 30 10 JEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H]1CCN(CC)C1)[C@H]1CCS(=O)(=O)C1 1507635517 WQBYLVPLXPECCE-CTNGQTDRSA-N 476.046 2.491 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(N2CCCCCC2)nc1 1507712085 BXYFMICMMJTHNG-FQEVSTJZSA-N 451.575 2.139 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnccn3)n2C[C@@H]2OCCC2(C)C)n1 1507716891 OGAGZJMCKWIVGQ-FQEVSTJZSA-N 450.547 2.033 30 10 JEEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1507838387 BFRGCWXPELCGGN-LEWJYISDSA-N 476.599 2.326 30 10 JEEE C=CC[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CC[C@@H](S(C)(=O)=O)C1)c1ccccc1 1507927727 CACYNQXEBMTQMQ-VQTJNVASSA-N 457.600 2.384 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCOC2(CCOCC2)C1 1508079510 XZALTMQUXGRFGI-UHFFFAOYSA-N 485.585 2.431 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@H]2COCCO2)C1 1508114595 BSWACUSIDXVZCD-MSOLQXFVSA-N 460.531 2.168 30 10 JEEE COc1cc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CC2CCS(=O)(=O)CC2)cc(OC)c1OC 1517962566 GTEXYARFRKSXMK-JOCHJYFZSA-N 493.561 2.238 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1CCCNS(C)(=O)=O 1538983720 VXRVAWTUDXCMPF-GFCCVEGCSA-N 458.357 2.244 30 10 JEEE C#CCCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1539059017 MQEFPKSFRPDJIC-KRWDZBQOSA-N 461.588 2.236 30 10 JEEE C=C(C)Cn1c(N2C[C@@H](C(=O)OC)[C@H](CNC(=O)OC(C)(C)C)C2)nnc1[C@@]1(OCC)CCOC1 1539723111 OFBUUXMZWBZDST-QZTZHPFYSA-N 493.605 2.256 30 10 JEEE C=C(Cl)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1539816930 HZMKBVCXXZINNG-FQEVSTJZSA-N 469.977 2.224 30 10 JEEE C=C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1539836210 PMDNNAZORXIUSK-QGZVFWFLSA-N 464.613 2.330 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1539917872 XXAQKMPSCOAWNK-PMPSAXMXSA-N 495.568 2.369 30 10 JEEE C=CCCCCn1c(-c2noc3c2COCC3)nnc1N1CCN(CC(=O)NC(C)C)CC1 1539963151 LXQTVYADNYAHGV-UHFFFAOYSA-N 457.579 2.009 30 10 JEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 1539981279 FEULIIMDWIBWHD-HOTGVXAUSA-N 456.613 2.348 30 10 JEEE C=CCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1540005280 HCEUFMWYECAIBS-UHFFFAOYSA-N 473.021 2.469 30 10 JEEE C=CCNC(=O)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1540873350 VYYSTBKJIOEDLJ-HNNXBMFYSA-N 489.502 2.157 30 10 JEEE CC(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1541403000 FXMHBZSTZHYSGG-WMQCIHAUSA-N 472.615 2.348 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@H](C)Oc1ccccc1 1541675226 FCBFENJMVJEGLI-MOPGFXCFSA-N 489.584 2.261 30 10 JEEE CC(C)N1CCC[C@@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@](C)(C#N)C2)C1 1541934691 CKUOUEYIMBWEPQ-UEXGIBASSA-N 451.641 2.139 30 10 JEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](CC)[C@H]2CN(Cc3ccccc3)CCO2)c1 1545373018 ULZJZZSEUVKTHS-XZOQPEGZSA-N 455.580 2.008 30 10 JEEE CCNC(=O)C(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1547738850 HYUMLEXVJNPEAW-LJQANCHMSA-N 467.574 2.028 30 10 JEEE C=CCC[C@@H](CO)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1 1568995633 XVFXLVIVOAPASQ-OLZOCXBDSA-N 451.408 2.355 30 10 JEEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NCC(C)(CO)CO)ccc1Cl 1569675733 HPDGKJBKCCBZHP-UHFFFAOYSA-N 452.960 2.442 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCc1ccn(C)n1)[C@@H]1CCS(=O)(=O)C1 1588030407 UPXOSOLFNLKVEE-FXAWDEMLSA-N 486.573 2.160 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCOc1cccc(C(F)(F)F)n1)[C@@H]1CCS(=O)(=O)C1 1588074124 JOYXCKNWQDZXGU-HZPDHXFCSA-N 499.515 2.249 30 10 JEEE C#CCN(CC)c1nnc(-c2cc(OC)ccc2Br)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1588280701 QYYWCUJPCPAJFS-OAHLLOKOSA-N 496.431 2.457 30 10 JEEE C=C(C)CN(CC)c1nnc(Cc2ccncc2)n1CCS(=O)(=O)N1CCSCC1 1589668913 HGGFKMVCEBBTNW-UHFFFAOYSA-N 450.634 2.045 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(CCOC)[C@H](CC)C1 1589731562 QOLJOZJUOWXTGV-HXUWFJFHSA-N 476.647 2.319 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1594492184 UPMXMZUJEFYQGP-KRWDZBQOSA-N 454.579 2.265 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccn(C)n1 1595076132 UWYIENCLRYDXEA-IBGZPJMESA-N 470.599 2.358 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C(C)C)N2CCOCC2)C1 1595674463 QBCLLEDFMFTZKQ-UXHICEINSA-N 469.590 2.064 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1595778100 WOWLDVWVKZWQLM-HKUYNNGSSA-N 475.615 2.236 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Br)nnc1N1CCCN(C(C)=O)CC1 1595778414 ZJSCJQBGAWWIPI-UHFFFAOYSA-N 496.431 2.367 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1596813306 HXQYLXOXDQPAOY-DLBZAZTESA-N 469.571 2.477 30 10 JEEE C#Cc1cccc(N(CC)CC(=O)N2CCN(S(=O)(=O)c3ccc(C(C)=O)cc3)CC2)c1 1616295358 NYNPRSDUZUJFKG-UHFFFAOYSA-N 453.564 2.230 30 10 JEEE CN(CCn1cccn1)c1nnc(COc2ccc(C#N)cc2)n1CCC(=O)NC(C)(C)C 1618292077 DOKWKWFNUOOTFO-UHFFFAOYSA-N 450.547 2.366 30 10 JEEE C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@H](C)NS(=O)(=O)c1cnn(C)c1 1627692210 JIYDMOLEIHNEQN-LBPRGKRZSA-N 459.341 2.203 30 10 JEEE CNS(=O)(=O)c1cccc([C@H](C)NC(=O)COc2ccc(C#N)c(Br)c2)c1 1632339982 FFMPIDYWNQDWGU-LBPRGKRZSA-N 452.330 2.485 30 10 JEEE C#CCNC(=O)C1CCN(C(=O)[C@@H](CCSC)NC(=O)c2ccc3ccccc3n2)CC1 1633884591 LFRFLWJZMZHOIF-OAQYLSRUSA-N 452.580 2.074 30 10 JEEE CC1CCN(S(=O)(=O)c2ccc(C(=O)N3CCN(c4ccc(C#N)nc4)CC3)cc2)CC1 1651414201 HOIZDUPTJYRBTO-UHFFFAOYSA-N 453.568 2.336 30 10 JEEE COCCN(CCC#N)S(=O)(=O)NC[C@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C 1665286723 GZLCQDPWUUXWMR-LJQANCHMSA-N 452.577 2.045 30 10 JEEE C=CCS(=O)(=O)CCNC(=O)N1CCC([C@@H]2C[C@H](NC(=O)OC(C)(C)C)CCO2)CC1 1685844300 OHDVPORRUNOQLO-MSOLQXFVSA-N 459.609 2.081 30 10 JEEE C#CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCS(=O)(=O)CC1CC1 1689964528 QKQJIHZQGPYBDW-GOSISDBHSA-N 465.620 2.287 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1Cc1c(CC)noc1C)[C@@H]1CCS(=O)(=O)C1 1689984695 SRBXOSBRVYAXCO-QGZVFWFLSA-N 499.593 2.496 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@H](C)N2CCN(CC)CC2)CC1 1690132710 XFLPORVQHAKEPQ-DEOSSOPVSA-N 479.673 2.255 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2Cc2snnc2C)CC1 1690139934 FUDJKYBUWYOLAQ-UHFFFAOYSA-N 481.582 2.136 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@](C)(O)c2cccc(Cl)c2)CC1 1690142248 KNCUGTHXYOQARV-DEOSSOPVSA-N 481.988 2.206 30 10 JEEE C#CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCOC[C@H]1C 1690175381 VTFUTJXMQVWTEM-IAGOWNOFSA-N 451.593 2.178 30 10 JEEE C#CCSCCn1c(N2CCN(c3ncccc3F)CC2)nnc1[C@@]1(OCC)CCOC1 1690185715 FDERWXJZULISNO-JOCHJYFZSA-N 460.579 2.157 30 10 JEEE C=CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCN1CCN(C(C)=O)CC1 1690523610 HOOGGFIBYJJFCV-UHFFFAOYSA-N 478.601 2.022 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)C(C)C 1690565807 TXMBANBXBUGHQT-OFNKIYASSA-N 477.631 2.211 30 10 JEEE C=CCn1c(COc2ccc(Br)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1690649651 HTZALTRCUXFJKT-QGZVFWFLSA-N 450.337 2.147 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCC(N2CCCNC2=O)CC1 1690664399 RAEJCYADXAJYIB-UHFFFAOYSA-N 451.575 2.194 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1690720616 NQTMWNUNNVARGD-ZWKOTPCHSA-N 475.615 2.236 30 10 JEEE COC[C@@H](C)Cn1c(C(=O)N2CCCC2)nnc1N1CCCN(c2ccccc2C#N)CC1 1697733075 BHVOWIHAFXGFRZ-IBGZPJMESA-N 451.575 2.385 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@H](C)Oc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1705560071 CYXBYXMUFUJBCQ-ROKPMTFOSA-N 488.610 2.024 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@H](C)c1ncc(C)s1)[C@@H]1CCS(=O)(=O)C1 1705568547 POJJTRVJFYNULZ-HNAYVOBHSA-N 487.655 2.335 30 10 JEEE C=CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1705799767 GGNVMLMBZRFEKM-UHFFFAOYSA-N 478.594 2.423 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 1705899177 KBYXKQFDYNLWFO-QGZVFWFLSA-N 482.585 2.353 30 10 JEEE Cc1ccccc1-c1nnc(N2CCC(C#N)CC2)n1CCS(=O)(=O)N1CCSCC1 1707643399 GJYWTMCIDMAWKO-UHFFFAOYSA-N 460.629 2.372 30 10 JEEE C[C@@H]1CCC[C@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1708036566 CGMPGEBZGFUBAB-FHJLPGHOSA-N 472.615 2.133 30 10 JEEE CCOCc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CCN1CCSCC1 1710731084 FYUPHSLSIPIJNO-UHFFFAOYSA-N 459.595 2.201 30 10 JEEE CCS(=O)(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCCCC2)CC1 1710888857 GPBSZUYSCRTTBO-UHFFFAOYSA-N 471.631 2.211 30 10 JEEE C#CCN(c1nnc(COCC)n1C[C@@](C)(O)c1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 1722371219 UXGVWDZEZYNBGK-GHTZIAJQSA-N 466.991 2.002 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCC[C@H]1C 1722382495 AIWCTRLRZXIKJT-UXHICEINSA-N 456.591 2.144 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(OC)ccc2Br)n1Cc1ncn(C)n1 1722388960 BZKACNXHFNHAMJ-UHFFFAOYSA-N 454.332 2.356 30 10 JEEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1CC1(N2CCCC2)CCOCC1 1722401094 LEYOOSIEABGMSM-UHFFFAOYSA-N 480.638 2.378 30 10 JEEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CN(Cc2ccccc2)CCO1 1722405551 MTWOWOMTWRRFPA-RDGATRHJSA-N 453.587 2.291 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccccc2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1722424616 SPOKDTPHBLTJGP-SFTDATJTSA-N 457.600 2.235 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCn2cc(Br)cn2)CC1 1722434609 SBIYVGPTARNNOF-UHFFFAOYSA-N 475.782 2.408 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](OC(C)C)c2ccccc2OC)CC1 1722437981 XRIQFQRFPUBZQB-IRLDBZIGSA-N 466.586 2.159 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC(C)(C)O)CC1 1722447930 PUIXBMJHMNBTST-LJQANCHMSA-N 488.633 2.129 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@H]2CCOC2)CC1 1722448955 DOWFIZOOJDTVJP-HXUWFJFHSA-N 451.571 2.476 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(Cn2ccnc2)c1 1722468021 ZAOVDKVMNGWUOA-FDDCHVKYSA-N 467.599 2.174 30 10 JEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1722602637 AHBOMCCWFPQMIH-SJORKVTESA-N 494.584 2.040 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCSCC2)cc1 1722680807 AJGJQLTTZZTLIE-FQEVSTJZSA-N 491.683 2.421 30 10 JEEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(SC)CC2)C1 1728687476 IDLCEVTXONIKRE-SFHVURJKSA-N 476.628 2.142 30 10 JEEE C#CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](NC(C)=O)C1 1740575116 QFRQNMUPNKBQTR-VQTJNVASSA-N 474.606 2.495 30 10 JEEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@]2(CC=CCC2)C1 1740716951 FILBCKZCXKPPFL-KNQAVFIVSA-N 479.672 2.304 30 10 JEEE C#CCSCCn1c(N2CC(C)(C)O[C@]3(CCOC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1740722112 DVFHSAMOCHZTKV-PKTZIBPZSA-N 464.632 2.459 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC(=O)NCC(F)F 1740727250 DXHHGHFOJWDNBC-JOCHJYFZSA-N 463.485 2.344 30 10 JEEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1740793465 JSHXVXTYKWIHHQ-URXFXBBRSA-N 481.645 2.236 30 10 JEEE C=C1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CCCNS(=O)(=O)CC)CC1 1740819462 RCHMJJOOFIFUIH-UHFFFAOYSA-N 495.675 2.032 30 10 JEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1740887572 KEBMYYKPBFULJB-NHCUHLMSSA-N 471.583 2.222 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1740993991 LNIFZGRYBAZAJE-UHFFFAOYSA-N 498.540 2.132 30 10 JEEE CCCCN(C)CCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1745437641 GTOZKWPZZXTUKK-UHFFFAOYSA-N 482.608 2.470 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CN(CC(C)C)CCO1 1748664136 CYCQQIRPEDKWHA-MOPGFXCFSA-N 473.647 2.053 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CCSCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1748819379 NXXSYMLLSZHAMX-MRXNPFEDSA-N 473.546 2.186 30 10 JEEE COc1ccc(O[C@@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(CC#N)CC2)cc1 1748849912 CUVIOVVKEFZXII-IRXDYDNUSA-N 476.603 2.494 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCNC(=O)C(C)C 1748868802 JBXINTQOSJJLJA-UHFFFAOYSA-N 483.642 2.172 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1CC1(O)CC(OCC)C1 1748950667 MZBHWKMRBJOPGK-UHFFFAOYSA-N 452.353 2.052 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2c(F)cccc2OC(F)F)CC1 1748971310 LELAPLOEOSTEBO-UHFFFAOYSA-N 462.476 2.058 30 10 JEEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)Nc2cccc(C)c2C)CC1 1749032322 CMWIRBRMBPUCAF-UHFFFAOYSA-N 492.653 2.423 30 10 JEEE C=C(C)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1749187541 RLJZHPAOCRMCPC-KRWDZBQOSA-N 485.614 2.282 30 10 JEEE C=C(C)COCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@H](CNC(C)=O)C1 1749228496 ARYHMNXDKDEWNR-OAQYLSRUSA-N 482.633 2.397 30 10 JEEE C=CCCOCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](NC(C)=O)C1 1749457298 IZKXQWMWPUYETK-UXHICEINSA-N 492.621 2.284 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC(c2ccnn2C)CC1 1749655105 CTRRDQMWEOCSJM-UHFFFAOYSA-N 465.558 2.382 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCN(C(=O)OC)CC1 1749656076 ZLOCQTWFGNCFMI-UHFFFAOYSA-N 481.326 2.037 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H](C(C)C)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1760186954 BKPVIUIBVRLDQJ-LEWJYISDSA-N 456.616 2.087 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CCc1ccc(F)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1760190102 ODFPEWOARRJISX-LJQANCHMSA-N 471.533 2.412 30 10 JEEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1C[C@@](O)(c1ccccc1)C(F)(F)F 1760196154 LKSRILLJVASXKM-FCHUYYIVSA-N 462.472 2.453 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC[C@H](C(F)F)N1CCOCC1 1760232393 DBAJVHNSPSRHNS-LJQANCHMSA-N 485.539 2.008 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCCc2cnn(C)n2)CC1 1760270819 BMMYBJYACIJZKF-UHFFFAOYSA-N 497.003 2.238 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2Cc2csc([C@H](C)OC)n2)CC1 1760271899 QMKPOXGBKRUSSN-KRWDZBQOSA-N 479.610 2.442 30 10 JEEE C#CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1760282233 YAUAHFPOFMJJAR-FQEVSTJZSA-N 491.639 2.017 30 10 JEEE C=C(Cl)Cn1c(N2C[C@@H]3[C@H](C2)[C@@H](NC(=O)OC(C)(C)C)CS3(=O)=O)nnc1C(C)(C)C 1760388940 YEEMIFXKEATZOO-QLFBSQMISA-N 474.027 2.455 30 10 JEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCNC(=O)c2occc2C)CC1 1760397296 QDRKUJQJYBJEJC-MRXNPFEDSA-N 464.592 2.012 30 10 JEEE C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1760425141 FDTRAJKRIGEQAX-HXUWFJFHSA-N 472.615 2.238 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1760519949 VRKUILROTCPVBW-SFHVURJKSA-N 465.558 2.382 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC(NC(=O)c2ccsc2)CC1 1760520076 BMTXOGDBUNWRLO-UHFFFAOYSA-N 453.572 2.046 30 10 JEEE CC[C@H](C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1763927068 GEQFBWHVCIESHJ-RXVVDRJESA-N 499.641 2.126 30 10 JEEE CN1CC[C@](O)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC([C@](C)(O)C(F)(F)F)CC2)C1 1767509807 HMXPKEXSTNHRBH-FCHUYYIVSA-N 478.519 2.413 30 10 JEEE CC(C)C[C@@H](C(=O)N1CC[C@H](NS(=O)(=O)c2ccccc2C#N)C1)N1C(=O)c2ccccc2C1=O 1858311785 DLZNFLATSZNXDW-RXVVDRJESA-N 494.573 2.148 30 10 JEEE N#Cc1ccccc1S(=O)(=O)N1CCN(c2ccc(NC(=O)COc3ccccc3)cn2)CC1 1858452398 FJQBOFVPOMAWIG-UHFFFAOYSA-N 477.546 2.482 30 10 JEEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1ccc2c(c1)OCCO2 1862419029 OXFVWFSPRFDORK-HXUWFJFHSA-N 458.417 2.450 30 10 JEEE C=CCN(CC=C)C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCc1nn2c(C)nnc2s1 1868899012 ZTPTYUORGNHJHP-SFHVURJKSA-N 454.556 2.061 30 10 JEEE COc1cc(NC(=O)Cn2cnc3c(nnn3Cc3ccc(C#N)cc3)c2=O)c(OC)cc1Cl 1870103058 UIAHKXOPBRNCQB-UHFFFAOYSA-N 479.884 2.217 30 10 JEEE C=CCn1cc(OCC(=O)N2CCC(C)CC2)c(=O)cc1CN1CCN(c2ccccn2)CC1 1870495322 AOOYXMLWFZYSHY-UHFFFAOYSA-N 465.598 2.389 30 10 JEEE CN(CC(=O)NCC#CCN1CCc2ccccc2C1)c1nc2c(S(C)(=O)=O)cccc2s1 1891259084 GLGVXJRGJGIWAK-UHFFFAOYSA-N 482.631 2.314 30 10 JEEE Cc1ccccc1Oc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NCC#CCN2CCOCC2)cc1 1891569643 MLPUVCWBXACWFS-DEOSSOPVSA-N 497.617 2.392 30 10 JEEE CN(CC1CN(C(=O)OCc2ccccc2)C1)C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2247821967 AMHKJINIWGPNBZ-UHFFFAOYSA-N 454.336 2.050 30 10 JEEE C=C(CS(=O)(=O)N[C@@H]1CSCCN(C(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2247905075 RVQRPKRXQNTNNR-HNNXBMFYSA-N 462.443 2.446 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NC[C@]2(C)CN(C(=O)OC(C)(C)C)CCO2)C1 2255154732 YCRRLFYKBJWZBF-AVBDTAHFSA-N 451.564 2.435 30 10 JEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NOCCCNC(=O)OC(C)(C)C 2255931772 QJGMNTWPNXHYOT-UHFFFAOYSA-N 476.426 2.480 30 10 JEEE C=C(CS(=O)(=O)N(C)[C@@]1(CNC(=O)OC(C)(C)C)CCOC1)B1OC(C)(C)C(C)(C)O1 2255956127 YYMZAFBBFHWKBJ-HXUWFJFHSA-N 460.402 2.119 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2CCC(CO)(CNC(=O)OC(C)(C)C)CC2)C1 2266548361 ZXOGRKUZKZNSNI-UHFFFAOYSA-N 465.591 2.419 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](OCCNC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2267486712 MBOMBRQMWDAGDY-AWEZNQCLSA-N 467.397 2.198 30 10 JEEE CO[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2268638085 HGKUJMNGDAKGGA-SWLSCSKDSA-N 453.320 2.387 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)ccc1F 2268653632 PPROFQSUGUEZNG-SUMWQHHRSA-N 452.332 2.015 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N1CCc2sc(B3OC(C)(C)C(C)(C)O3)cc2C1 2268724395 KNTUKYOXXLDKMN-HNNXBMFYSA-N 466.409 2.208 30 10 JEEE CC(C)(C)OC(=O)N1CCN(c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)[C@@](C)(CO)C1 2269008690 CUDOTEIYZHANHL-JOCHJYFZSA-N 451.348 2.328 30 10 JEEE Cc1c(C(=O)N[C@@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281796335 LEVGWEKGACQMIU-JKSUJKDBSA-N 462.400 2.451 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](NC(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)C(C)(C)[C@@H]21 2281923075 BDBYNDRTNIJTKN-FVQBIDKESA-N 460.384 2.473 30 10 JEEE Cc1nn(C)c(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC2(C)C)c1B1OC(C)(C)C(C)(C)O1 2281987170 WSMVWUOYOWWCAP-OAHLLOKOSA-N 462.400 2.403 30 10 JEEE Cc1c(C(=O)N2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281990933 UBUWVTNMTFIDJQ-INIZCTEOSA-N 462.400 2.357 30 10 JEEE C[C@@H](NC(=O)OC(C)(C)C)c1n[nH]c(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cn2C)n1 2282183840 LDBRXDCWULDCJS-GFCCVEGCSA-N 460.344 2.280 30 10 JEEE Cn1cc(C(=O)N[C@@H]2C[C@@H](NC(=O)OC(C)(C)C)C23CCC3)nc1B1OC(C)(C)C(C)(C)O1 2282550471 ZKCMBEPDLSIXIV-HZPDHXFCSA-N 460.384 2.285 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C(C)(C)C2)n1 2282553498 RNMLYBHXTFGIMQ-INIZCTEOSA-N 462.400 2.485 30 10 JEEE CC1(C)OB(c2c[nH]c(C(=O)N3C[C@H](CNC(=O)C(F)(F)F)C4(CCC4)C3)c2)OC1(C)C 2282642759 RONFEZZCKZGZLN-ZDUSSCGKSA-N 455.286 2.235 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@]2(NS(=O)(=O)c3cncc(B4OC(C)(C)C(C)(C)O4)c3)C[C@H]2C1 2282832469 PPMHRRQKTMNHSF-NYHFZMIOSA-N 479.408 2.059 30 10 JEEE CC1(C)OB(c2ccsc2S(=O)(=O)NCCN2CCN(Cc3ccccc3)CC2)OC1(C)C 2282849225 XYDSTMUGUCCFMN-UHFFFAOYSA-N 491.488 2.143 30 10 JEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCN(Cc2ccccc2)CC1(C)C 2282856777 XYLLBOPTVDZGPH-UHFFFAOYSA-N 474.436 2.004 30 10 JEEE C[C@@H]1C[C@@H](NS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CCN1C(=O)OC(C)(C)C 2282864827 LIUFSGXKFDCZOP-WBVHZDCISA-N 481.424 2.447 30 10 JEEE C[C@@H](c1nscc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)[C@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C 2283947532 BKMCPWRDYOFEIN-SQWLQELKSA-N 481.424 2.332 30 10 JEEE CN(C(=O)OC(C)(C)C)[C@@]1(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)CCOC1 2283972508 MSKWDSFTIRDVST-QFIPXVFZSA-N 465.331 2.484 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2CCc3sc(B4OC(C)(C)C(C)(C)O4)cc3C2)C1 2284132422 FVZLQRGKDWHRRE-HSZRJFAPSA-N 478.420 2.304 30 10 JEEE CC1(C)OB(c2cc(F)c(F)cc2NS(=O)(=O)CCN2C(=O)c3ccccc3C2=O)OC1(C)C 2326740975 INVTZYADMPNOMX-UHFFFAOYSA-N 492.309 2.302 30 10 JEEE COc1cc(C=Nn2c(CNC(C)=O)nnc2SCC(N)=O)ccc1OCCCc1ccccc1 2330743625 FBJDZVOEHXNUAJ-UHFFFAOYSA-N 496.593 2.394 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2C[C@@H](C(=O)N=c3nc(B4OC(C)(C)C(C)(C)O4)[nH]s3)C[C@@H]21 2334388985 VLTLRQRMOCTCEK-CRWXNKLISA-N 464.397 2.137 30 10 JEEE COc1[nH]c(=NC[C@@H](F)C2CN(C(=O)OC(C)(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2339784840 IFXSWFACYWDRNV-MRXNPFEDSA-N 451.348 2.428 30 10 JEEE CCn1cc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H]3C[C@H]23)nc1B1OC(C)(C)C(C)(C)O1 2359277661 LKWPAVQNIGTIEP-HLLBOEOZSA-N 460.384 2.330 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2[C@@H]3C[C@@H]3CN2C(=O)OC(C)(C)C)n1C 2362332877 PYIOQYJPZUUUMX-BZUAXINKSA-N 460.384 2.013 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H](C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)n1C 2362487019 LVDRDNOQKBUBPH-GOEBONIOSA-N 462.400 2.403 30 10 JEEE COc1ccc(NC(=O)CSc2nnc(N/N=C/c3ccc([N+](=O)[O-])cc3)n2N)c(C)c1 20292053 NUBSJSLSGUFJII-UFFVCSGVSA-N 456.488 2.394 30 10 JEEE C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)n1c(N)nnc1SCC#N 40173335 IFFCXAFYSXYEQU-CQSZACIVSA-N 463.589 2.240 30 10 JEEE COc1cc(/C=c2/s/c(=C(/C#N)C(=O)C(C)(C)C)n(C)c2=O)cc(Br)c1O 96851418 GZOWIRKREVKKJO-XGSDZEFXSA-N 451.342 2.042 30 10 JEEE CCN1C(=O)[C@@]2(/C(=C(/O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCCN(C)C)c2ccccc21 102557404 JHCOIVSOEOQYKR-PDOAKGDFSA-N 491.544 2.352 30 10 JEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC2CCCC2)c(=O)n1C[C@H]1CCCO1 517988398 HNUHYGFLPUPWSP-HXUWFJFHSA-N 479.602 2.215 30 10 JEEE Cc1cc(NS(=O)(=O)CCN2C(=O)c3ccccc3C2=O)ccc1B1OC(C)(C)C(C)(C)O1 707706537 ICYUFILMBDGVJT-UHFFFAOYSA-N 470.356 2.332 30 10 JEEE COCCSc1nnc(NC(=O)CSc2n[nH]c(NN=Cc3cccc([N+](=O)[O-])c3)n2)s1 1084481271 OTCJMPBFNMZHPL-UHFFFAOYSA-N 495.572 2.480 30 10 JEEE C#CCCOc1ccc(C(=O)NCC[C@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)cc1 1133630235 HZDBYHMABJVRRR-IBGZPJMESA-N 450.557 2.243 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1cccc(C(=O)N[C@H](C)CC)c1)[C@@H]1CCS(=O)(=O)C1 1286398831 QODAFPKFILGZBO-STZQEDGTSA-N 499.637 2.333 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCN1CCOC[C@H]1C 1286408717 KLSMQWGEHKRNSO-HXUWFJFHSA-N 473.581 2.029 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CCc2ccncc2)CC1 1286473118 ISFVRKDADDIWQL-UHFFFAOYSA-N 462.554 2.364 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)cn3C)n2CCn2ccnc2C)CC1 1286487088 CTUOOVAJNWJZOP-UHFFFAOYSA-N 499.417 2.217 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CC(=O)N1CCOCC1 1286547498 GYSDODBAPPKZAO-NVXWUHKLSA-N 470.412 2.400 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1CCC(C)CC1 1286582135 RSHPBOOAMRMGKY-FQEVSTJZSA-N 468.668 2.135 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1286815386 TXFWASBTGGPDAO-KRWDZBQOSA-N 473.020 2.213 30 10 JEEE CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@H](c2ccc(OC)cc2)N2CCOCC2)c1 1290393119 RAJJGETZXSZKAS-HSZRJFAPSA-N 456.564 2.296 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)NC[C@H](Cc2cccc(F)c2)C(=O)OC)ccc1F 1292997232 KXDFXLJZKVYQLN-INIZCTEOSA-N 452.479 2.191 30 10 JEEE CCNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCn2ccnc2C)CC1 1296324176 DIOLJPXCJQDTPH-UHFFFAOYSA-N 477.573 2.176 30 10 JEEE Cn1ncc(CCCn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C(C)(C)C)CC2)n1 1298902589 DZNBZZQEOVEUNL-UHFFFAOYSA-N 463.590 2.411 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H](C)Oc1ccccc1OC)[C@H]1CCS(=O)(=O)C1 1300487690 LHTRNHYBSCYHLE-ROUUACIJSA-N 469.567 2.376 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@@](C)(O)c1ccco1)[C@@H]1CCS(=O)(=O)C1 1300498067 GJKYOHOIEHVJIM-WAIKUNEKSA-N 490.532 2.275 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CCC(=O)NC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1300498844 NLZCYYGKDAPWSN-INIZCTEOSA-N 493.580 2.079 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCNC(=O)C1CCC1 1300563349 HLMFSNKALBPNRS-UHFFFAOYSA-N 467.595 2.118 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2Cc2cccnc2OCCOC)CC1 1300691467 ZVINABUDXKNLFV-UHFFFAOYSA-N 462.554 2.177 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@H](COC)OC)CC1 1300718499 QORXTLOYQCOICU-IBGZPJMESA-N 490.402 2.335 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCCNC(=O)c2occc2C)CC1 1300723007 OTSFCHWLRJJXEN-FQEVSTJZSA-N 482.585 2.207 30 10 JEEE C=C(Br)Cn1c(N2CCO[C@H](Cn3cccn3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1300862742 DGGCVJWFLJZOCS-FXAWDEMLSA-N 481.395 2.329 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCc2ccccc2C1 1300915792 QGBMDCZKFDDPNR-QFIPXVFZSA-N 488.658 2.072 30 10 JEEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 1300928663 LJVNJMCCYLNOCO-HUUCEWRRSA-N 482.010 2.368 30 10 JEEE C=C(C)COCCn1c(Cc2ccsc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1300996169 AOAZNQRHXTWCIF-UHFFFAOYSA-N 460.604 2.097 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@](C)(O)CCC(C)C)CC1 1301123607 COEVUTPYEMSXOF-KNQAVFIVSA-N 469.652 2.201 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CCOC)CCCCC1 1301296080 FEEGDOZXARQRRM-SFHVURJKSA-N 455.625 2.220 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1301483448 ORGFTVOUYWTUCX-HNNXBMFYSA-N 452.481 2.329 30 10 JEEE C=CCNC(=O)Cn1c(N2CCCN(C3CCCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1301518487 HRXFWFDQZCHREM-XMMPIXPASA-N 460.623 2.076 30 10 JEEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1301595013 LXQNNNHWRLAHMG-INIZCTEOSA-N 468.624 2.065 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1358877207 YSYQPTSYVPZZTQ-SJORKVTESA-N 453.572 2.075 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CC1CCC(OC)CC1)[C@H]1CCS(=O)(=O)C1 1358965720 ZXZMPRNJRWIKQG-CKHPTIKVSA-N 457.600 2.096 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1358972198 XKPBWUHYVXJWDD-QZTJIDSGSA-N 471.652 2.486 30 10 JEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1Cc1cccc(N2CCOCC2)c1 1358982012 GKMJSIKSZYTKDA-UHFFFAOYSA-N 474.590 2.227 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(OC)nc2OC)CC1 1359043247 NDXDUNPYIRAQID-UHFFFAOYSA-N 485.548 2.243 30 10 JEEE C=C(C)COCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(C)=O)C[C@H]1C 1359132891 HPJQZYKPFHUCAN-UYAOXDASSA-N 492.621 2.236 30 10 JEEE C=C(Cl)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1359148727 AKNHYHVOLYKDFF-CYBMUJFWSA-N 495.893 2.449 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCOCCc2ccccc2)CC1 1359165246 LHYDIJAIPJKXBF-QFIPXVFZSA-N 489.642 2.417 30 10 JEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cc(F)cc(F)c1)C1CC1 1359251640 QXWKQMXZETUCND-LJQANCHMSA-N 467.542 2.287 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCN(Cc2csc(C)n2)CC1 1359297700 ZGHPICHHSZBBAW-UHFFFAOYSA-N 467.599 2.343 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCC[C@H](C(N)=O)C1 1359304003 HWCVWGXVMFGYGS-SFHVURJKSA-N 454.575 2.293 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCOc2ncccc2Cl)C1 1359321805 LZAWAGFRTXBNGR-HOTGVXAUSA-N 467.979 2.089 30 10 JEEE C#C[C@@H](CO)NC(=O)C1(c2ccccc2)CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 1450350445 UHCWLKATMARKTK-INIZCTEOSA-N 452.985 2.234 30 10 JEEE CCN(CC)C(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCn2cc(Cl)cn2)CC1 1501779992 DDDKWMCQJKFVBD-UHFFFAOYSA-N 496.019 2.357 30 10 JEEE CNC(=O)CCCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H](N1CCOCC1)C(F)(F)F 1503792226 CDTNJPPRDSJPLV-SFHVURJKSA-N 479.507 2.042 30 10 JEEE C#CCCCCn1c(Cc2ccccn2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1507568733 YVKWETVWBCHPSJ-QPPBQGQZSA-N 463.630 2.446 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1c(C)cc(C)cc1C)[C@H]1CCS(=O)(=O)C1 1507622859 NTZRJPAKIVZHEJ-IBGZPJMESA-N 457.600 2.017 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCOCC(F)F 1507671683 OBYMUNQUSPOWDU-QGZVFWFLSA-N 467.517 2.331 30 10 JEEE C#CCSCCn1c(N2CCC[C@H](Cc3noc(C)n3)C2)nnc1[C@]1(OCC)CCOC1 1507758155 KFBMKYWKTYINRR-GCJKJVERSA-N 460.604 2.447 30 10 JEEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1507920961 ZQFKUYDKTXAYHO-UHFFFAOYSA-N 454.623 2.449 30 10 JEEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(Cc2ccc(OC)cc2)C(=O)C1 1507954601 OIXQKVGQLZFZDU-FQEVSTJZSA-N 487.626 2.394 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCOC1 1508009200 WILOFMUOMFFIHY-GHTZIAJQSA-N 493.605 2.369 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCCC[C@H](S(C)(=O)=O)C2)cc1 1508100323 IRQXMEWCPFHMJQ-PMACEKPBSA-N 473.599 2.246 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@@H]1N(C)CCCC1(C)C 1510186747 HRTOJVOXRVBKKW-WMZOPIPTSA-N 451.641 2.139 30 10 JEEE CCN(CC)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCC[C@@H]2C)CC1 1515489134 GYWSXIVDSYHLHL-NRFANRHFSA-N 478.645 2.291 30 10 JEEE C=CCS(=O)(=O)CCNC(=O)C1CCN(S(=O)(=O)c2c(C)c(C)cc(C)c2C)CC1 1536546371 FSYGKMRKPMVYNG-UHFFFAOYSA-N 456.630 2.038 30 10 JEEE C#CCCCn1c(Cc2cccnc2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1539127841 QUTJJYSTYBZMKX-VXKWHMMOSA-N 463.630 2.304 30 10 JEEE C#CCN(CCOC)c1nnc(Cc2ccccn2)n1C[C@@H]1C[C@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1539417827 VOGJXESZNBLHKU-ILWGZMRPSA-N 496.612 2.374 30 10 JEEE C#CCN1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CCCCCOC)CC1 1539446015 OBKSNUCQJXPHJN-UHFFFAOYSA-N 463.586 2.247 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCCO[C@H]2C(C)(C)C)CC1 1539466715 DTHKNLSLHNRVEX-NHCUHLMSSA-N 484.645 2.321 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCCO[C@H]2C(C)C)CC1 1539466735 FIZGGHANCFMEPA-UNMCSNQZSA-N 493.612 2.342 30 10 JEEE C#CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1539520702 SQJQQXRIHSYYLK-GOSISDBHSA-N 451.600 2.378 30 10 JEEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1539752082 BDTMGRGTQQMKNT-FQEVSTJZSA-N 464.574 2.254 30 10 JEEE C=C(Cl)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1539793563 HLBLSOXYUGFFLP-UHFFFAOYSA-N 455.950 2.352 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCO[C@H](COC(C)C)C1 1540867255 PSYYCHHZVPMIDF-IBGZPJMESA-N 450.543 2.426 30 10 JEEE C=CCNC(=O)Cn1c(N2CCN(Cc3cc(OC)cc(OC)c3)CC2)nnc1C(C)(C)C 1540875869 AENOMWUMRNQZDD-UHFFFAOYSA-N 456.591 2.217 30 10 JEEE CC(=O)NCC(=O)N1C[C@@H](C(=O)N(C)C)[C@H](C2CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)C1 1548396224 FJFRHFMENDUPKT-VQTJNVASSA-N 493.530 2.092 30 10 JEEE CC#CC[C@H](CO)NC(=O)c1cc(O)nc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc12 1559010220 PNBHYUPOIDWRKD-MRXNPFEDSA-N 457.483 2.384 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2CC(=O)NCc2ccco2)c1 1587694018 ZMFRUGDPGZHLRL-LJQANCHMSA-N 476.537 2.138 30 10 JEEE C#CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1587769570 JOVPKMCTXBXSAN-OTWHNJEPSA-N 472.590 2.105 30 10 JEEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CCOc2ccccc2Cl)CC1 1587851193 FGIYNODAAKFOIN-LJQANCHMSA-N 456.978 2.497 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CCSC(C)C)[C@@H]1CCS(=O)(=O)C1 1588034345 DMYOCYNYJGZPGX-NQIIRXRSSA-N 470.661 2.087 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1ccccc1N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1588058748 BSSLMZSUBNJNGB-NRFANRHFSA-N 485.654 2.378 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCn1ccnc1C 1588144101 TYYWLKTWOLPVNA-FQEVSTJZSA-N 467.574 2.255 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCCCN2CCCC[C@@H]2C)CC1 1588876426 ABJHIPZOCCPSIL-VABKMULXSA-N 458.651 2.412 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CC2(N(C)C)CCCCC2)CC1 1588955246 SQLAAGKGPFPASV-UHFFFAOYSA-N 463.630 2.494 30 10 JEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 1588976426 XPJGVMXSEKCMFH-MRXNPFEDSA-N 450.609 2.276 30 10 JEEE C=C(Br)Cn1c(N2C[C@H](C)O[C@@]3(CCOC3)C2)nnc1[C@@]1(OCC)CCOC1 1589459694 BSHRTKQUCYMQSL-ZYSHUDEJSA-N 457.369 2.223 30 10 JEEE C=C(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1593620964 KAXJIBMBPWKMND-MSOLQXFVSA-N 479.585 2.136 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(OC[C@@H]2CCCCO2)CC1 1593747518 YBFSTTBISBQRLN-CTNGQTDRSA-N 482.647 2.327 30 10 JEEE C=CC1CCN(c2nnc(C(=O)N3CCCC3)n2CC[C@H](C(F)F)N2CCOCC2)CC1 1594169413 XNOFWVAKSSBTJW-GOSISDBHSA-N 452.550 2.273 30 10 JEEE C=CCCOCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(C(=O)OC)CC1 1594807587 STNXYJDOEZIRMS-UHFFFAOYSA-N 453.503 2.075 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCc2c(ccnc2O)C1 1595517283 VTMAEEPXXZMZQY-UHFFFAOYSA-N 464.526 2.318 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CC[C@@]2(C)[C@H](C1)C2(Cl)Cl 1595784968 PEHWLNIPDAUOEC-YOEHRIQHSA-N 459.403 2.300 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc(O[C@@H](C)C(=O)OC)c(F)c2)s1 1629557305 MKZCMCUTZGPWMS-LBPRGKRZSA-N 456.517 2.473 30 10 JEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCc1cccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)c1 1635182687 XAQCGGXENHNPJZ-DEOSSOPVSA-N 454.527 2.398 30 10 JEEE C=C(C)Cn1c(SCC(=O)N2CCC[C@H]2C(=O)N=S(C)(C)=O)nnc1-c1ccco1 1642218382 YVZCSMLNKZPBGS-AWEZNQCLSA-N 451.574 2.452 30 10 JEEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2CCC[C@@H]2c2ccccc2C(F)(F)F)CC1 1685724684 YFQNRKBDEQAWTN-AEFFLSMTSA-N 458.506 2.136 30 10 JEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1689916733 UNZIZBJBMBFGSQ-GOSISDBHSA-N 457.600 2.455 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1CCOCC(=C)C)[C@H]1CCS(=O)(=O)C1 1689982327 KTJYHDJIZSQRJO-KRWDZBQOSA-N 496.431 2.266 30 10 JEEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1[C@@H]1C[C@H]1C(C)C)[C@H]1CCS(=O)(=O)C1 1689982441 NGSDNFWOWZODCD-YSIASYRMSA-N 476.624 2.192 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1ccc(C)cc1OC)[C@@H]1CCS(=O)(=O)C1 1689990407 NYFJMEUIEULNAU-WOJBJXKFSA-N 458.584 2.164 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1cccc(C(F)(F)F)n1)[C@@H]1CCS(=O)(=O)C1 1689993261 ZLKUDHBZAIHIDY-GOSISDBHSA-N 490.511 2.353 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2Cc2nnc(C)s2)CC1 1690152318 HDSUXWADPXLGPY-UHFFFAOYSA-N 465.583 2.340 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1690692125 RQOUNKPQQXMFGX-KSHDEOPHSA-N 459.510 2.124 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC(N2CCCCC2)CC1 1690724531 RDYZGUKYTPIJFK-LJQANCHMSA-N 451.637 2.228 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CCc2nc(O)c(C#N)cc2C1 1690725229 JAJPCVOHBPJMRX-UHFFFAOYSA-N 494.577 2.013 30 10 JEEE CC[C@@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1694212102 FTRKCMPAINTBIR-LJQANCHMSA-N 493.612 2.197 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(CC)s1 1705674372 HNMJSNDLVQIWIQ-WIYYLYMNSA-N 463.629 2.275 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@H](C)c2nccs2)CC1 1705736882 FONYKDHRSHASPC-MSOLQXFVSA-N 480.660 2.113 30 10 JEEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)Cc2ccccc2C)CC1 1705819916 WZKOJKPQJNKFMS-OAQYLSRUSA-N 471.627 2.346 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN(C(=O)c2ccc(C)cc2)CC1 1705931920 FWEPDLKOCUMIIL-UHFFFAOYSA-N 482.610 2.155 30 10 JEEE C=CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1705943656 HOEYXPTWJJSZPT-GOSISDBHSA-N 481.626 2.416 30 10 JEEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 1709902067 CDLWSWWUZUSAAQ-SFHVURJKSA-N 464.530 2.379 30 10 JEEE CCO[C@@]1(c2nnc(N3CCC(CC#N)CC3)n2CCN2CCN(C)C(C)(C)C2)CCOC1 1710454085 HPXWNXFPNRKCMX-DEOSSOPVSA-N 459.639 2.086 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@H]2CC=CCO2)CC1 1722436473 HOUHRBSNKZJCSK-RTWAWAEBSA-N 470.618 2.493 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H]2CSCCS2)CC1 1722443300 GGYRHAFSCHQRNY-WMZHIEFXSA-N 493.699 2.133 30 10 JEEE C#CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC(=O)N(C)[C@H](C)C1 1722464381 DLHDIWGNBJVIKF-SJORKVTESA-N 462.620 2.383 30 10 JEEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1722481668 HRHVAIXTGBNIIU-UHFFFAOYSA-N 454.336 2.180 30 10 JEEE C=C(C)COCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1722530862 ZPRYXPWFTRILDQ-QGZVFWFLSA-N 456.547 2.111 30 10 JEEE C=C(Cl)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1722543228 GNGHIHNMLUXGEK-UHFFFAOYSA-N 487.413 2.132 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC(=O)N(C)CC)CC1 1722581698 KWQIWYDJOLKDSO-SFHVURJKSA-N 462.595 2.467 30 10 JEEE C=C(Cl)Cn1c(Cc2csc(C)n2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1722585481 XYZQFNYMSLMDDQ-UHFFFAOYSA-N 484.007 2.026 30 10 JEEE C=CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(C(=O)OC)CC1 1722610047 KVAZILXMMPLPOV-UHFFFAOYSA-N 461.592 2.401 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC2(CCN(C)C2=O)CC1)C(C)C 1722664673 FINSKIIISBXQPC-SFTDATJTSA-N 483.661 2.377 30 10 JEEE C=CCNC(=O)Cn1c(N2CCN(c3cccs3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1722704144 OSZUWBFMAOQDIH-JOCHJYFZSA-N 460.604 2.009 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2CCN(CCC)CC2)C1 1722719320 STWDRMFYGFWOJB-UXHICEINSA-N 451.637 2.084 30 10 JEEE CCN(C[C@H]1CCCO1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1728468787 FFVIFCGJQMTXGA-WOJBJXKFSA-N 458.588 2.246 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccn(Cc2ccccc2)n1)[C@H]1CCS(=O)(=O)C1 1740615363 BUXWRXWQMVRPEP-NRFANRHFSA-N 466.611 2.495 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@H](C)Oc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1740624232 FAZAIFJTWXRLPZ-AZUAARDMSA-N 483.569 2.497 30 10 JEEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ccc(N(C)C)nc1 1740656275 JQJRFYOGROJPIA-UHFFFAOYSA-N 469.597 2.424 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@]1(N(C)C)CCSC1 1740685310 DUVFJTPKXBWOFE-REWPJTCUSA-N 457.600 2.314 30 10 JEEE C#CCN1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2C[C@@H](OC)[C@H](C)CC)CC1 1740696210 OIEIURNHGLCCJX-IFMALSPDSA-N 466.634 2.268 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@](C)(O)c2ccsc2)CC1 1740699554 LHHBQRAJOFMDDV-DEOSSOPVSA-N 462.579 2.453 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCN3CCN(c4ccccc4)CC3)n2CCC)CC1 1740708424 PALWQDTXEUDJHD-UHFFFAOYSA-N 463.630 2.019 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](OC)c1ccc(F)cc1)C1CC1 1740911047 VUFNSNOAMBCKNX-UXHICEINSA-N 479.578 2.293 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1740953254 ZQSQLJREOCDACI-OALUTQOASA-N 472.565 2.018 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1CCC[C@H](C(=O)OC)C1 1740964956 JYHIRGMCFWILRF-INIZCTEOSA-N 459.572 2.271 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1740986788 HEXAESPHYYVFHA-ABSDTBQOSA-N 491.589 2.215 30 10 JEEE CCS(=O)(=O)CCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCC[C@@H](O)C1 1747409889 AEHYMUPSFHMRHA-RTBURBONSA-N 461.588 2.151 30 10 JEEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1748723925 DAKLFZVDNQIISM-GOSISDBHSA-N 453.572 2.175 30 10 JEEE C#CCCCn1c(C2CCC2)nnc1N1C[C@@H]2[C@@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1748748104 RGLPTJGNFFRYLC-SQNIBIBYSA-N 463.604 2.086 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCO[C@@H]2C(=C)C)CC1 1748994345 DSFQTPXUAIQBNL-WIYYLYMNSA-N 454.600 2.006 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1749020404 RSPDTOGWJCGJBN-LJQANCHMSA-N 479.614 2.417 30 10 JEEE C#CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CC(=O)NC(C)(C)C 1749038668 WFHPMPYLWMFABA-QGZVFWFLSA-N 494.662 2.304 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CC=CCC1 1749600096 QATLHHJZDPHLOJ-FQEVSTJZSA-N 476.622 2.487 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2ccn(C)n2)C1 1749713583 VCTSBEZHTJZJIV-RTBURBONSA-N 473.578 2.150 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC[C@H]1C 1749738360 KNHPQWYIPZGFPD-OAQYLSRUSA-N 472.659 2.232 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(C(F)(F)F)CC1 1749740547 GHKBWSBSNSKXJO-HOCLYGCPSA-N 466.526 2.382 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CCS(=O)(=O)C(C)(C)C 1750972035 HNROBDUVKPJYER-LJQANCHMSA-N 488.614 2.079 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(OC)ccc1OC(F)F 1760115671 BKUQJCZPTOZEES-UONOGXRCSA-N 454.499 2.296 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1Cc1cc(F)ccc1N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1760181785 BOAFYSITFBOYCC-WIYYLYMNSA-N 489.617 2.442 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@H]1CCN(CC(F)(F)F)C1)[C@@H]1CCS(=O)(=O)C1 1760184146 VRQILNWXENWEGM-HZPDHXFCSA-N 461.554 2.087 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1CCN1CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1760188574 BXJPXSXTDZRFMC-FPOVZHCZSA-N 473.618 2.367 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2ccccc2OC)CC1 1760261622 OVAHTAOQVNGZBQ-NRFANRHFSA-N 496.612 2.399 30 10 JEEE C#CCSCCn1c(CCOc2ccccc2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1760283800 ALVRZAKMFIMREC-OAQYLSRUSA-N 482.610 2.033 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N(C)CC(=O)N1CCOCC1 1760325126 OEVOHZRWHRJRKW-SQJMNOBHSA-N 483.613 2.348 30 10 JEEE C=C(C)Cn1c(N2CCN(CC(=O)N[C@@H]3CCC[C@@H](C)C3)CC2)nnc1[C@@]1(OCC)CCOC1 1760349573 QCOOYJKZDYOTEI-DNRQZRRGSA-N 474.650 2.323 30 10 JEEE C=C(Cl)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1760366738 ICWYQLQBURKCIA-SFHVURJKSA-N 492.983 2.291 30 10 JEEE C=C(Cl)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCn2nc(C)nc2C1 1760374199 JYYZTQPGZMESCK-OAHLLOKOSA-N 464.958 2.259 30 10 JEEE C=CCN(c1nnc(-c2cc(Br)c[nH]2)n1CC1(O)CCS(=O)(=O)CC1)C1CC1 1760471057 LKGRIIGXHFANGX-UHFFFAOYSA-N 470.393 2.130 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cnn(CC)c1 1760487558 XQSNSBZRLMYXIN-LJQANCHMSA-N 491.643 2.130 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1760526043 BFNKGWNJXPFDMU-UHFFFAOYSA-N 492.628 2.140 30 10 JEEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1760526550 BSLYWKLEHFPHHR-VWLOTQADSA-N 452.603 2.057 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCC2(O)CCOCC2)C1 1760538875 HTPZJPGNQPVDEI-IBGZPJMESA-N 476.599 2.062 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCCOCC1 1760553097 LHIKIPFYSWKPBE-UHFFFAOYSA-N 450.561 2.180 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1760553277 QQRKLCUIHFTARU-QGZVFWFLSA-N 471.587 2.121 30 10 JEEE COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C 1769836641 BNYLTPQXVRPBFW-SFHVURJKSA-N 475.594 2.280 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)COc3cccnc3NC(=O)NCCCC(=O)O)cc21 1858806430 ALNLPQKEIJAALG-UHFFFAOYSA-N 468.466 2.241 30 10 JEEE CCCCCCCCNC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)CCCNS(C)(=O)=O 1860929871 MEDCRARZVBRQCN-HXUWFJFHSA-N 455.621 2.226 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCNC(C)=O)[C@H]2c2ccccc2[N+](=O)[O-])cc1OC 1862574312 IQTLNXNREUARQY-FQEVSTJZSA-N 469.450 2.326 30 10 JEEE COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2C[C@@H](C)O)cc1 1862574924 VIORCQBQQWNPEO-ZUOKHONESA-N 455.463 2.450 30 10 JEEE COc1cc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCCN2CCOCC2)ccc1O 1862594464 UBFSXWPEMXRZQA-JOCHJYFZSA-N 468.506 2.407 30 10 JEEE O=C(O)c1ccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2CCN2CCOCC2)cc1 1862758012 VATUHPMQZXNAPN-HXUWFJFHSA-N 481.461 2.204 30 10 JEEE CC(C)(C)OC(=O)N(CCC(=O)N[C@@H](CO)C(=O)Nc1ccc(C#N)cc1)Cc1ccccn1 1867080139 GZULMMSXUYEPMH-FQEVSTJZSA-N 467.526 2.196 30 10 JEEE COCCN(CCOC)C(=O)C(C)(C)NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1 1868774528 KCZBUMKHURQYOJ-SFHVURJKSA-N 450.605 2.041 30 10 JEEE CC(C)N1C(=O)c2ccc(C(=O)Nc3c(C#N)nnn3Cc3ccc([N+](=O)[O-])cc3)cc2C1=O 1870106791 GGNBFXVQUUTZMD-UHFFFAOYSA-N 459.422 2.363 30 10 JEEE C=CCOc1cn(CCc2ccc(OCC)c(OCC)c2)c(CN(CCO)CCO)cc1=O 1870386763 CLWXNZRDBMEEDN-UHFFFAOYSA-N 460.571 2.240 30 10 JEEE Cc1ccc(S(=O)(=O)N2CCC(OCC#CCN3CCN(C(C)C)CC3)CC2)c(F)c1 1889649926 TZXHWPHCWQQRJP-UHFFFAOYSA-N 451.608 2.333 30 10 JEEE CC(C)N1C(=O)CS[C@@H](C(=O)N2CCC(C(=O)N3CCOCC3)CC2)[C@@H]1c1ccc(C#N)cc1 1890729979 HIWJTBSHKNVRST-XZOQPEGZSA-N 484.622 2.049 30 10 JEEE Cc1cc(S(=O)(=O)NCCONC(=O)OC(C)(C)C)sc1B1OC(C)(C)C(C)(C)O1 2247953451 UALAOBIQSLFCNN-UHFFFAOYSA-N 462.399 2.090 30 10 JEEE C[C@H](O)CN(CCNC(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2255706328 HOSNMYLOJTXPAB-AWEZNQCLSA-N 454.398 2.395 30 10 JEEE CC1(C)OB(c2cncc(S(=O)(=O)N[C@H]3CCN(C(=O)OCc4ccccc4)C3)c2)OC1(C)C 2255739227 GYOYJAVXGSIVTG-IBGZPJMESA-N 487.387 2.070 30 10 JEEE Cc1cc(S(=O)(=O)N[C@H]2C[C@@H]2NC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2255747875 SMAUXVFWGMBEOJ-IRXDYDNUSA-N 452.382 2.238 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@](O)(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2255832226 JGSLLIDAHUGQQF-NRFANRHFSA-N 452.382 2.149 30 10 JEEE Cc1ccc(S(=O)(=O)N[C@H]2C[C@@H]2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2255930872 BPBGTMWEUZOFSZ-HOTGVXAUSA-N 452.382 2.238 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](NC(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)CCO1 2266994056 PRHQWUHDHNQXLZ-ZIAGYGMSSA-N 467.397 2.244 30 10 JEEE CC(C)(C)OC(=O)NCCCC[S@](C)(=O)=NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2267147970 YHKMYSMGYKFQSK-YTTGMZPUSA-N 470.401 2.252 30 10 JEEE C[C@@H]1[C@H](NC(=O)OC(C)(C)C)CCN1S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2267473524 HDRLTBBHBWHDMM-ZIAGYGMSSA-N 487.453 2.260 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](NS(=O)(=O)Cc2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267709688 GICZYQMXJWMOBQ-SFHVURJKSA-N 466.409 2.415 30 10 JEEE C[C@H]1OCCN(C(=O)OC(C)(C)C)[C@H]1C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2268634689 JKTJXKUKXITBJA-UKRRQHHQSA-N 467.397 2.083 30 10 JEEE CC(C)(C)OC(=O)NCc1nc(CNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)cs1 2271182618 NISBLFJMBOAAIA-UHFFFAOYSA-N 463.369 2.120 30 10 JEEE CCN(C(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)c2nn(C)c(B3OC(C)(C)C(C)(C)O3)c2C)C1 2281805119 UIFKQHVKFBIFKE-MRXNPFEDSA-N 462.400 2.499 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2282176349 SBPLJDJFLVBFLD-MUJYYYPQSA-N 458.368 2.436 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@H](C)CNC(=O)OC(C)(C)C 2282494740 BOAOCDKLEBRGNE-OAHLLOKOSA-N 484.424 2.434 30 10 JEEE CC(C)(C)OC(=O)N1CCOCCN1S(=O)(=O)Cc1ccccc1B1OC(C)(C)C(C)(C)O1 2282499673 RGXQYHHAFMHKOZ-UHFFFAOYSA-N 482.408 2.300 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CC23CCN(C(=O)OC(C)(C)C)CC3)n1 2282553613 SEFJXSMYECZOOC-INIZCTEOSA-N 460.384 2.239 30 10 JEEE C[C@@H]1CN(Cc2ccccc2)C[C@@]1(C)CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282691003 CTGKLVTVNMRWLN-MZNJEOGPSA-N 453.396 2.002 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2C[C@H](NC(=O)c3nccnc3B3OC(C)(C)C(C)(C)O3)C[C@@H]21 2283068322 LFJKQTYBCWCDJH-YHUYYLMFSA-N 458.368 2.197 30 10 JEEE CC(C)(C)OC(=O)N1[C@H](C(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)C[C@H]2OCC[C@H]21 2283953496 TZUJYFFCQATQJR-IXDOHACOSA-N 459.352 2.486 30 10 JEEE CC(C)(C)OC(=O)N1CC(=O)NC[C@@H]1C(=O)Nc1cc(Cl)ccc1B1OC(C)(C)C(C)(C)O1 2283987704 ZKGMQBHQAAICDF-MRXNPFEDSA-N 479.770 2.313 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)NCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2285185822 HVJCTQXLAQEFHH-GOSISDBHSA-N 464.343 2.377 30 10 JEEE CN(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)[C@H]1CN(C(=O)OC(C)(C)C)CC12CC2 2287010514 UZTBHLFABCIXFZ-INIZCTEOSA-N 460.384 2.191 30 10 JEEE COc1cc(Br)cc(C=NNc2cnn([C@H]3CCS(=O)(=O)C3)c(=O)c2Cl)c1O 2322615699 MMWGOYSXHZDPSJ-NSHDSACASA-N 491.751 2.179 30 10 JEEE C#CCOC(=O)NS(=O)(=O)c1ccc(CNC(=O)C=Cc2ccc(OCC)c(OC)c2)cc1 2330263251 VFBGNMNVNFQBJK-UHFFFAOYSA-N 472.519 2.472 30 10 JEEE CC(=O)NCc1nnc(SCC(=O)N[C@H](C)c2ccccc2)n1N=Cc1ccc(O)cc1 2330794201 WTPIRKMVFLIGDQ-OAHLLOKOSA-N 452.540 2.472 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC2(CCC[C@@H]2NC(=O)OC(C)(C)C)C1 2362353566 LQDLJJPDSOANJI-HNNXBMFYSA-N 460.384 2.239 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1[C@H]2CC[C@H]1CN(C(=O)OC(C)(C)C)CC2 2362459858 BHHYOGHGTUUXEB-HOTGVXAUSA-N 460.384 2.333 30 10 JEEE C=C[C@](C)(O)CN1CCN(Cc2nc(C(=O)N3CCN(c4ccccc4CC)CC3)co2)CC1 34677908 BRAUWEGDISHZHI-SANMLTNESA-N 467.614 2.254 30 10 JEEE CCOC(=O)C1CCN(c2nc3c(c(=O)[nH]2)[C@@H](c2cccc(Cl)c2)[C@@H](C#N)C(=O)N3)CC1 72444674 GCLJGQVFTPOWND-CVEARBPZSA-N 455.902 2.427 30 10 JEEE COc1cccc([C@H]2c3c(nc(NCc4ccc5c(c4)OCCO5)[nH]c3=O)NC(=O)[C@@H]2C#N)c1 72472459 SIQLBQNADBUDSN-VQIMIIECSA-N 459.462 2.386 30 10 JEEE COCCCNC(=O)/C(C#N)=c1\s/c(=C\c2ccc(C)o2)c(=O)n1-c1ccc(C)cc1C 105492527 IYXLBDNKXWIJRC-HLJPWFHZSA-N 451.548 2.073 30 10 JEEE C=CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cc(C)c(OCC(=O)OC)c(C)c2)c1=O 522109967 KENBAGRYBWYGNG-UHFFFAOYSA-N 466.559 2.137 30 10 JEEE C=CCNC(=O)CN1CCN(C(=O)CCN(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)CC1 680516420 DWKHFVXLQRNUOM-UHFFFAOYSA-N 484.622 2.027 30 10 JEEE CCCCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccc(F)cc1F 729668243 CUMBZSVGWPEVLR-UHFFFAOYSA-N 479.512 2.244 30 10 JEEE CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccc2c(c1)CCC2 729669181 KGDKIRWVRHKYKC-UHFFFAOYSA-N 483.597 2.311 30 10 JEEE CCNS(=O)(=O)c1ccc(NC(=O)CSc2n[nH]c(NN=Cc3ccc(OC)cc3)n2)cc1 1084631637 VABLXZHDDQLPIE-UHFFFAOYSA-N 489.583 2.288 30 10 JEEE C#Cc1cccc(NC(=O)CNS(=O)(=O)c2sc(C(=O)OC)cc2Br)c1 1208442387 GQYQOCZLRLPXDV-UHFFFAOYSA-N 457.327 2.196 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CCO[C@@H]1CCCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1286384837 UANKYQFZRLQCTN-JCUDRXCFSA-N 494.658 2.152 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H](c1ccc(F)cc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1286386820 HYBOHBYWPOLZCY-RBBKRZOGSA-N 482.585 2.409 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1CCc1cccnc1)[C@H]1CCS(=O)(=O)C1 1286394959 PZZJZRLTOFBHIS-FQEVSTJZSA-N 453.543 2.272 30 10 JEEE C#CCN(CC#CC)c1nnc(Cc2csc(C)n2)n1Cc1cccc(N2CCOCC2)n1 1286431035 QVQSZEYXHLELNH-UHFFFAOYSA-N 461.595 2.377 30 10 JEEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1C[C@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1286453334 ZFJUEXHAPQQJTM-SXYSDOLCSA-N 489.617 2.486 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCc2ccc(NC(C)=O)cc2)CC1 1286472507 IVSKCAVXKXLBLA-SANMLTNESA-N 480.613 2.275 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccccn3)n2C[C@@H](C(CC)CC)N2CCOCC2)CC1 1286476472 XWJBCTJNJSTTTI-QHCPKHFHSA-N 451.619 2.232 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@H](C2CCCCC2)N(C)C)CC1 1286489642 ARGQNVCUOZJRKE-JOCHJYFZSA-N 464.618 2.211 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(Nc2cccnn2)CC1 1286546649 KRQNKTFPFDRRIE-PXNSSMCTSA-N 454.579 2.268 30 10 JEEE C=C(C)COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1286603947 CKLSSNPDQCZCKP-GOSISDBHSA-N 455.519 2.486 30 10 JEEE C=C(C)COCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCN(C(=O)COC)CC1 1286611782 PRDLIPNQUIMAGP-UHFFFAOYSA-N 452.559 2.238 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1286780475 VQHCFOMBOAVGFI-OAHLLOKOSA-N 470.965 2.475 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1286792283 TUFZYBOLZXEDED-AWEZNQCLSA-N 488.397 2.089 30 10 JEEE C=CCOc1ccc(Cn2c(CN3CCCC3=O)nnc2N(CC)[C@H]2CCS(=O)(=O)C2)cc1 1286795468 BOXZPPRLKKKUBW-IBGZPJMESA-N 473.599 2.027 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@H](C(N)=O)C1 1286817216 KTUCAYYDKUIZQH-OALUTQOASA-N 475.615 2.337 30 10 JEEE CCC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1)OC 1293957235 BQMKMJXHWCDLHO-AVRDEDQJSA-N 465.602 2.421 30 10 JEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(CC2CC2)CC1 1300391984 XAZJAOYTMIKXGB-UHFFFAOYSA-N 456.616 2.141 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CCc1ccc(C=C)cc1)[C@H]1CCS(=O)(=O)C1 1300482835 IDXYZICRHSSLBZ-DHLKQENFSA-N 484.622 2.443 30 10 JEEE C#CCN(c1nnc([C@H](C)OCCOC)n1Cc1csc(C)c1)[C@@H]1CCS(=O)(=O)C1 1300485135 UMOHACRSLJXUEW-FUHWJXTLSA-N 452.602 2.047 30 10 JEEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@@H]2CCCN2CCCO)CC1 1300707272 COQNHXSJNCQJFQ-QHCPKHFHSA-N 466.630 2.076 30 10 JEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCN2C[C@@H](C)C[C@@H](C)C2)CC1 1300708528 TUNLBJSTKCRNFV-OYRHEFFESA-N 452.651 2.263 30 10 JEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1300768010 JGZQZJGLJNFPLV-HXUWFJFHSA-N 450.568 2.216 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1301508460 MHLZRQOSHSCUJC-UHFFFAOYSA-N 467.555 2.467 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1301514503 JXIMMDOAYFFWCK-WMLDXEAASA-N 469.464 2.324 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc3cccnc23)nnc1N1CCC(NC(C)=O)CC1 1301577701 NTSYLUIFXGWZEJ-UHFFFAOYSA-N 468.583 2.199 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2c[nH]c3ccccc23)nnc1N(C)CC(=O)NC(C)(C)C 1301579020 LUBBRMWKULZDMO-UHFFFAOYSA-N 458.588 2.378 30 10 JEEE CCN(C)C(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1313557258 DNSDONXZAPAUFI-UHFFFAOYSA-N 474.569 2.237 30 10 JEEE C[S@@](=O)C1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)CCC1 1316364483 AZPRMTBKALCVFN-AYLZSAKASA-N 491.639 2.043 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@@H]1CC[C@@H](F)C1)[C@H]1CCS(=O)(=O)C1 1358965375 UBGVCZRGTGDTCE-NUJGCVRESA-N 451.593 2.399 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCSC1)[C@@H]1CCS(=O)(=O)C1 1358966244 KTJZBFJPDJACHU-RBUKOAKNSA-N 471.608 2.109 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCNC(=O)c2ccc(C)c(F)c2)CC1 1359043503 WHCONTIALWETOP-UHFFFAOYSA-N 489.555 2.183 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](CN(C)CCC)C1 1359099725 SFLPZVMKZYSLTE-BQJUDKOJSA-N 465.664 2.330 30 10 JEEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1359191122 OBUWVEYVFXYDPF-IRLDBZIGSA-N 485.677 2.382 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)nc1 1359277765 VNQATDGXJHJEBY-SFHVURJKSA-N 457.556 2.460 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCN(C2CCC2)CC1 1359293731 YEDSMIOZQNNSDL-UHFFFAOYSA-N 462.396 2.023 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2CC)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1359335792 VEPSUSAHPICUPU-VQTJNVASSA-N 487.626 2.077 30 10 JEEE Cc1ccc(C(=O)NCCn2c([C@H]3CCC(=O)N3)nnc2N(CCC#N)CC2CC2)cc1F 1361119724 AEPIGQOIHZILPR-LJQANCHMSA-N 453.522 2.237 30 10 JEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(Cc3nc4ccccc4s3)CC2)cc1 1443492363 SLKHHGPGDPBQRQ-UHFFFAOYSA-N 454.577 2.166 30 10 JEEE C#CCN(C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1)C1CSC1 1453157950 FGYXBKIXGYHMRL-AWEZNQCLSA-N 457.415 2.427 30 10 JEEE C#CCN(C1CCN(C)CC1)S(=O)(=O)c1ccc(-n2ncc(Cl)c(Cl)c2=O)cc1 1475716696 HLKPBPNDXYENNP-UHFFFAOYSA-N 455.367 2.257 30 10 JEEE CNC(=O)CC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCc2cnn(C)c2)CC1 1503788509 BPMZQQUXZQLSGO-UHFFFAOYSA-N 476.585 2.448 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H](N1CCOCC1)C(F)(F)F 1507518373 LOJWNDPTJZTIGX-ABSDTBQOSA-N 459.513 2.040 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1cc(C)ccc1OC(F)F)[C@@H]1CCS(=O)(=O)C1 1507622016 AGBLOQHNMCVPBL-QGZVFWFLSA-N 495.552 2.001 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](C)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1507626252 DXMQBZWNFQTUMJ-NQIIRXRSSA-N 454.600 2.174 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1507796398 AEYUQEAPTITSQO-NLWGTHIKSA-N 460.604 2.100 30 10 JEEE C=C(C)COCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1507840977 SPDKRSCZKFLVJF-GOSISDBHSA-N 456.547 2.111 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c(-c2cnccn2)nnc1N1CCN2C(=O)OC[C@]2(C)C1)C(C)C 1508012797 JJKHYNFTOQUVSV-YKSBVNFPSA-N 466.590 2.465 30 10 JEEE C=CCN(CC=C)c1nnc(-c2ccc3c(c2)OCO3)n1CCS(=O)(=O)N1CCSCC1 1508013202 LYNWXVMXQDHINP-UHFFFAOYSA-N 477.612 2.231 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1508090082 HHPXBQPLRSWDQR-CRAIPNDOSA-N 480.491 2.166 30 10 JEEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1508095489 QCCPJJKCPNTCBL-RUZDIDTESA-N 463.586 2.241 30 10 JEEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1508095828 WILYNVFYSMWOGR-KRWDZBQOSA-N 450.509 2.438 30 10 JEEE Cc1nccn1CCn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1511620057 ASFDXSSLBAPSCU-SJORKVTESA-N 471.587 2.192 30 10 JEEE CCOC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)N2CCOCC2)C1 1516056052 AOZALAWOAPVVJI-WIYYLYMNSA-N 467.574 2.252 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)CC)n2CCN/C(O)=C2/N=CC=CC2=O)c1 1539037088 BMJOSJHINSHTHK-KAMJJXHCSA-N 475.553 2.374 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1Cc1ccc(C#N)o1)[C@H]1CCS(=O)(=O)C1 1539229649 GDJXFUGBWFCRFJ-SFHVURJKSA-N 465.535 2.305 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1539438269 UTPKRDQFZGLXBX-HNNXBMFYSA-N 498.472 2.349 30 10 JEEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2CCc2nnc(C)s2)CC1 1539454594 UIXKHOPHRNMVSL-UHFFFAOYSA-N 451.600 2.230 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2[C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 1539477598 RXKCNZDGJIWLNM-ZACQAIPSSA-N 466.508 2.489 30 10 JEEE C=C(C)COCCn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1539760262 ZTXGSCYEQMVSHO-BHIFYINESA-N 474.650 2.349 30 10 JEEE C=CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1540860221 UBDVAGFXZKTHJN-HXUWFJFHSA-N 463.586 2.438 30 10 JEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H]1c1cccc(OC)c1 1540907115 LUDLWVIFZOQMBW-HXUWFJFHSA-N 473.599 2.351 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1540908267 DWPIMRQSEDQEFQ-BCZSFJNMSA-N 466.648 2.395 30 10 JEEE CC(C)(C)c1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CC(=O)NCC2CC2)cc1 1541143233 BPAKRLGLRUVUML-HXUWFJFHSA-N 452.559 2.410 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccnc(OC2CCCC2)c1 1588180818 LFODFMVKJJRYNL-SFHVURJKSA-N 470.599 2.116 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccccc3Br)n2C[C@H]2NC(=O)CC2(C)C)CC1 1588790872 FWDQIHTWKSGGAL-GOSISDBHSA-N 471.403 2.378 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCN(CCC)C(=O)OC(C)(C)C)CC1 1588876445 ADUWLISEKBHNQY-SFTDATJTSA-N 490.649 2.404 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCN(CC)CCC)CC1 1588929518 BZMKDHCNXYJKNC-QHCPKHFHSA-N 480.613 2.488 30 10 JEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)c2ccccc2)CC1 1593741519 QYPWSFZKPYVFJZ-HXUWFJFHSA-N 452.559 2.174 30 10 JEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1ccc(C)cc1)N1CCCC1 1594963640 WBVCYJSYZSCGLC-FGZHOGPDSA-N 488.658 2.379 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(C)nc3ccccc23)nnc1N(C)CCN1CCOCC1 1595766058 LDVZNQADPPPJMA-UHFFFAOYSA-N 484.626 2.171 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CC[C@@H](C)[C@H](OC)C1 1595822030 FYJXATSEFZURCA-VQIMIIECSA-N 452.552 2.458 30 10 JEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC(Oc2ccc(C#N)cc2)C1 1611238130 GTMYTCDAIOOXAR-FQEVSTJZSA-N 452.536 2.445 30 10 JEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1CCCN(C(=O)OC(C)(C)C)[C@@H]1C 1626829333 GMIHLEHUJBMSOD-HDMKZQKVSA-N 450.561 2.129 30 10 JEEE COC(=O)[C@@H](CNS(=O)(=O)c1cccc(Br)c1C#N)Cc1ccc(O)cc1 1661758074 FCQWEAOROHXDFQ-CYBMUJFWSA-N 453.314 2.337 30 10 JEEE C#CCN(c1nnc(CCOc2ccccc2)n1Cc1ncccc1C)[C@@H]1CCS(=O)(=O)C1 1689994052 PVRZVMIFEQYBRS-HXUWFJFHSA-N 465.579 2.278 30 10 JEEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1CCCn1cccn1)[C@H]1CCS(=O)(=O)C1 1689997237 YEPOQHMSGMRUIQ-IBGZPJMESA-N 489.001 2.424 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C 1690077598 RYMLBZKRHAZQMC-IRXDYDNUSA-N 453.609 2.189 30 10 JEEE C#CCN1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCCCOC(C)C)CC1 1690122647 XTSROXUHBSDRJO-UHFFFAOYSA-N 463.586 2.152 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H](OC)c2ccc(F)cc2)CC1 1690138058 QVMYKQJGMCZURJ-GJZUVCINSA-N 499.587 2.423 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCC(=O)NC(C)(C)C)CC1 1690145984 CGYBWSABPNVDSR-NRFANRHFSA-N 494.596 2.061 30 10 JEEE C=CCCOCCn1c(COc2cccc(C)c2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1690511224 UCRGFHPLQOXKEF-UHFFFAOYSA-N 484.601 2.332 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CCO[C@]2(CCOC2)C1 1690667213 VFZJVFZSHLYZOT-HXUWFJFHSA-N 462.348 2.006 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3ccccn3)n2CCNS(=O)(=O)c2ccc(C)s2)C1 1690694117 KLLYQMZTNMFWBM-KRWDZBQOSA-N 474.612 2.470 30 10 JEEE C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCO[C@H](C#N)C2)n1CCS(=O)(=O)C(C)(C)C 1692818249 AHFDZGRFLGJCQV-MAUKXSAKSA-N 465.551 2.499 30 10 JEEE CO[C@H]1COCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(C#N)CC1 1697697744 BZERAWXBBKVROF-QUCCMNQESA-N 459.572 2.140 30 10 JEEE C#CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1705529152 FSCBMDAZLQHLOM-UGKGYDQZSA-N 480.613 2.365 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCc1cc(C)cc(C)c1)[C@@H]1CCS(=O)(=O)C1 1705564766 CNJVWDGUUBNQRZ-OAQYLSRUSA-N 452.584 2.165 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCc1ccc(OC)cc1OC)[C@@H]1CCS(=O)(=O)C1 1705572105 QTFHGUKJODIQFT-UYAOXDASSA-N 474.583 2.016 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1C[C@H]1CN(Cc2ccccc2)CCO1 1705629006 VEHPBVGLPXLGQC-DHIUTWEWSA-N 453.587 2.159 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccccc2Cl)CC1 1705725890 WUASMVOXHNSTJK-IBGZPJMESA-N 481.022 2.167 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(O)(CCC)CCC)CC1 1705768983 FWLAAOMHDFJUHX-SFHVURJKSA-N 455.625 2.099 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCc2nn(C)c(=O)cc2C1)C(C)C 1705868865 DQKKXBHROBYQFD-FCHUYYIVSA-N 467.618 2.485 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1705897664 QXOKLDGEUAESFB-LSDHHAIUSA-N 498.481 2.364 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCCN(c2ncccc2F)CC1 1705937516 WQPRKOGJTLRULQ-UHFFFAOYSA-N 485.589 2.116 30 10 JEEE N#CCC1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1712886783 FYEDICJQAPWOHC-KRWDZBQOSA-N 476.628 2.224 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCCN1CCC(O)CC1 1722277854 NXDKMJKNAMBCPQ-QGZVFWFLSA-N 457.575 2.276 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1cccc(CN2CCOCC2)c1 1722282547 ZEDDKBDHNPDNDG-CPJSRVTESA-N 453.587 2.269 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1722284025 VJTPUPGGEJECDO-GBESFXJTSA-N 463.590 2.267 30 10 JEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 1722324494 SLAPNCVAHACQRV-MAUKXSAKSA-N 483.541 2.481 30 10 JEEE C#CCCCn1c([C@@H]2CCCCO2)nnc1N1C[C@@H]2[C@@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1722333803 OHOFNJHKOQLFSW-XWSJACJDSA-N 493.630 2.060 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC(C)(C)C(=O)NCC 1722379999 AIEAQMGGEYJEME-UHFFFAOYSA-N 473.581 2.300 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCc2scnc2C)CC1 1722440108 CHBLIGSYYYUWJX-UHFFFAOYSA-N 455.613 2.032 30 10 JEEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1722524115 ODAAJIMEGQUYPK-KURKYZTESA-N 460.579 2.410 30 10 JEEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1722620337 LKCJHTCGKQFHKG-GOSISDBHSA-N 453.547 2.109 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CC[C@H](OCC=C)C1 1722697676 PADWNNNGBXCJPS-SFHVURJKSA-N 477.569 2.319 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CC[C@@H](c2ccccc2OC)C1 1722727629 NGGCQZHNEOEJOY-QGZVFWFLSA-N 456.572 2.282 30 10 JEEE CCCNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1728185727 DOARGSBWHGRZLZ-QGZVFWFLSA-N 477.491 2.238 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(=O)NCCc1ccccc1 1740546720 JQOUVDJVOUPOPV-GOSISDBHSA-N 479.610 2.055 30 10 JEEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CCc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1740617907 YSMSDMJDRDLVCM-WIOPSUGQSA-N 486.638 2.497 30 10 JEEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1(COC)CCOCC1 1740667651 LVFSLTCBPHFDOA-UHFFFAOYSA-N 460.604 2.141 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1CC1(C(N)=O)CCCC1 1740679040 MMKBUVDBWNUKRR-UHFFFAOYSA-N 452.534 2.225 30 10 JEEE C=CCC(C)(C)Cn1c(-c2cccnc2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1740846109 NJHXSFRTLWUPAK-UHFFFAOYSA-N 484.630 2.495 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1740954294 HUWUXOVRSKIKOV-HXUWFJFHSA-N 459.558 2.244 30 10 JEEE CCOC1CC(O)(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCN2CCOC(C)(C)C2)C1 1746947454 FYRQEXKQVYVAGI-UHFFFAOYSA-N 468.602 2.294 30 10 JEEE COc1ccc(Br)c(-c2nnc(N3CCO[C@H](C#N)C3)n2CCN2CCSCC2)c1 1748587772 DHBJSNWZQHFTTI-MRXNPFEDSA-N 493.431 2.494 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)(C)C)n2CCS(=O)(=O)CC2CC2)c1 1748691358 CQSZZLGWEQTEDU-UHFFFAOYSA-N 457.600 2.457 30 10 JEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1748734704 HZQZAFZPNQAQPA-IBGZPJMESA-N 486.642 2.302 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC1(Cc2ccccc2)CC1)[C@H]1CCS(=O)(=O)C1 1748801520 BPQAABSRMUWUBI-FQEVSTJZSA-N 469.611 2.066 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H](C)Oc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1748819967 VSTFODKMBDZDED-UYAOXDASSA-N 483.569 2.497 30 10 JEEE C#CCN(CC)c1nnc(COc2ccc(Cl)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1748937899 UJIYTSJEYRXCER-MRXNPFEDSA-N 451.980 2.252 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CC2(CCOC)CCCC2)CC1 1749001577 WYMAHBSJIHIKCY-UHFFFAOYSA-N 470.618 2.077 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2CCNC(=O)c2ccc(C)c(F)c2)CC1 1749004982 QLLGXCUVYPFOHM-UHFFFAOYSA-N 454.550 2.245 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2Cc2ccccc2OCCN(C)C)CC1 1749008749 ATQFUTPMPDHUIW-XMMPIXPASA-N 494.640 2.474 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(F)c(OC)c2)CC1 1749037290 DDMAVVQJKHUTCJ-QGZVFWFLSA-N 493.630 2.021 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCO[C@H](CCC)C1 1749667106 SYVJQKCORHHAEB-GOSISDBHSA-N 479.585 2.373 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C 1749677538 CBGYUWRTABHWMC-KRWDZBQOSA-N 454.575 2.124 30 10 JEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cccc(C(=O)NCC)c1 1760170721 NSKYDPIRWJCQNI-UHFFFAOYSA-N 465.583 2.106 30 10 JEEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@H]1CN(CC(C)C)CCO1)[C@@H]1CCS(=O)(=O)C1 1760184008 FZHFZYYHNGVDPL-WOJBJXKFSA-N 489.617 2.068 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@H](C)COc1ccccc1OC)[C@H]1CCS(=O)(=O)C1 1760190821 ZUVRJEDOCZEWRI-ICSRJNTNSA-N 498.609 2.029 30 10 JEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1cccc(C(=O)NC)c1 1760196801 SGOPPEDLXISTRQ-UHFFFAOYSA-N 489.605 2.027 30 10 JEEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1760278087 YIQXCEHBCYMETD-XMMPIXPASA-N 493.681 2.414 30 10 JEEE C#CCSCCn1c(-c2c[nH]c3ccccc23)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1760279456 DRRYNZXOSRSQKR-QGZVFWFLSA-N 453.593 2.420 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(Cc1ccco1)C[C@@H]1CCCO1 1760281760 RBIMYXMIFXXXOI-MJGOQNOKSA-N 464.613 2.325 30 10 JEEE C=C(Br)Cn1c(C(=O)NC(CC)CC)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1760299775 HGPGVOKAWTXCIL-LSDHHAIUSA-N 453.385 2.353 30 10 JEEE C=C(C)COCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1760352695 WMWJEHHBGDGNDT-SFHVURJKSA-N 474.949 2.095 30 10 JEEE C=CCN(c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCS(=O)(=O)CC=C)C1CC1 1760477017 NHIWJZCJNIZRTC-GOSISDBHSA-N 481.619 2.342 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCNC(=O)[C@@H]1CC 1760526145 FSHJPOFBIPHNBD-IBGZPJMESA-N 454.575 2.306 30 10 JEEE CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](OC)C2CC2)CC1 1766648167 IARXEGDOUBUWEQ-QFIPXVFZSA-N 465.602 2.232 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H](C)O)[C@@H]2c2cc(OC)c(O)c(OC)c2)cc1OC 1862578065 WLXLRRUIUZQOMZ-MPBGBICISA-N 473.478 2.386 30 10 JEEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccc2c(c1)OCCO2 1862610511 NBMARMUQMFINOQ-ZSEKCTLFSA-N 453.447 2.188 30 10 JEEE C=CCN(CC=C)C(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)c1ccc(C)c(S(=O)(=O)N(C)C)c1 1868628077 FTSWTIQNLSYVJV-JOCHJYFZSA-N 485.606 2.493 30 10 JEEE CCN1CCN(CC#CCOC2CCN(C(=O)c3ccc(S(C)(=O)=O)cc3Cl)CC2)CC1 1889516698 DNUWRHSHYMWNKF-UHFFFAOYSA-N 482.046 2.006 30 10 JEEE COc1ccccc1OCC#CCNC(=O)CN(C)c1nc2c(S(C)(=O)=O)cccc2s1 1891835361 UEUPLNOREFSYHI-UHFFFAOYSA-N 473.576 2.343 30 10 JEEE Cc1nc(I)c(NC(=O)C#CBr)c(I)n1 1975071739 SUGGSRBJTZDXNJ-UHFFFAOYSA-N 491.852 2.289 30 10 JEEE CC(C)(C)OC(=O)NCCn1cc(C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)c2)nn1 2180972514 MBUIEYWVUAXCGQ-UHFFFAOYSA-N 457.340 2.354 30 10 JEEE CC(C)[C@@](C)(CNC(=O)OC(C)(C)C)NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2267130080 JTWJVSWCYAICEI-JOCHJYFZSA-N 450.389 2.389 30 10 JEEE C[C@@H]1C[C@H](NC(=O)C(F)(F)F)CCN1S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2267472178 ZCKBOOAHVIQKIN-VXGBXAGGSA-N 482.355 2.267 30 10 JEEE CN(C)C(=O)CN(Cc1ccccc1)C(=O)c1nn(C)c(Cl)c1B1OC(C)(C)C(C)(C)O1 2267497709 FGSIGPCUXZAKJA-UHFFFAOYSA-N 460.771 2.103 30 10 JEEE Cc1cc(C(=O)N2CCOC[C@H]2CNC(=O)OC(C)(C)C)oc1B1OC(C)(C)C(C)(C)O1 2267527115 BVESQWKDNUFDOW-OAHLLOKOSA-N 450.341 2.253 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)sc1CNC(=O)[C@@H]1C[C@H](O)CN1C(=O)OC(C)(C)C 2268655151 IJZOBXITWVEJSI-GJZGRUSLSA-N 466.409 2.342 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](O)CN(C(=O)c2ccc(F)c(B3OC(C)(C)C(C)(C)O3)c2)C1 2281778006 NPBPMYXDMOZGJF-CVEARBPZSA-N 464.343 2.225 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1CO[C@H](CNC(=O)OC(C)(C)C)C1 2281963162 IRGBJASYVWEBOQ-CABCVRRESA-N 481.424 2.410 30 10 JEEE C[C@@H]1C[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)CCN(C(=O)OC(C)(C)C)C1 2281979018 AYHRITDNFYGPEU-HZPDHXFCSA-N 462.400 2.485 30 10 JEEE CC1(C)OB(c2nscc2C(=O)N2CC[C@](CNC(=O)C(F)(F)F)(C3CC3)C2)OC1(C)C 2282000318 NAWFICJQCICZPA-LJQANCHMSA-N 473.326 2.363 30 10 JEEE Cn1cc(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 2282034412 HVJXWKJARKDUQH-JKSUJKDBSA-N 460.384 2.048 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H](C)C1(O)CN(C(=O)OC(C)(C)C)C1 2282132979 WUCIYEMZWKZVAI-INIZCTEOSA-N 460.380 2.394 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C 2282170708 BXMIHDQTBGKHSX-MRXNPFEDSA-N 463.384 2.426 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CCCO1 2282181934 MSMYIPOFZYJGCS-KRWDZBQOSA-N 463.384 2.080 30 10 JEEE CC(C)(C)OC(=O)NC[C@@]12CN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)c[nH]3)C[C@H]1CCO2 2282203235 BMGHJKZYUHFKJW-IQMFZBJNSA-N 461.368 2.070 30 10 JEEE COc1ccc(S(=O)(=O)N(CCC(N)=O)Cc2ccccc2)cc1B1OC(C)(C)C(C)(C)O1 2282507592 JQHUZYFLDCFOAH-UHFFFAOYSA-N 474.388 2.061 30 10 JEEE CC1(C)OB(c2csnc2C(=O)NC[C@]23CN(Cc4ccccc4)C[C@H]2CCO3)OC1(C)C 2282508943 DCAICCMIQMLAKR-KOSHJBKYSA-N 469.416 2.463 30 10 JEEE CCCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H]1COC[C@@H]1NC(=O)OC(C)(C)C 2282541138 TUIHJDMKAVTECI-SJORKVTESA-N 463.384 2.219 30 10 JEEE COCCN(CCNC(=O)c1nc(C)ccc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2282553204 WDMGYSNRTMNKRB-UHFFFAOYSA-N 463.384 2.303 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@]2(C)CN(C(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)C[C@]2(C)C1 2282579919 LUOMJEFSJXUSKU-DHIUTWEWSA-N 460.384 2.428 30 10 JEEE Cc1nn(C)c(C(=O)NCC[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2282584286 SUFAPBCSCMWHQX-IYBDPMFKSA-N 462.400 2.451 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@]2(CO)CCN(C(=O)OC(C)(C)C)C2)c1 2282683687 GWDMOCPGXYMHOM-DEOSSOPVSA-N 460.380 2.396 30 10 JEEE C[C@@H](OCc1ccccc1)[C@H](NS(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284411712 NQTIHHQCNASXDU-UZLBHIALSA-N 475.372 2.323 30 10 JEEE COC(=O)[C@H](CS(=O)(=O)Nc1ccc(Cl)cc1C#N)NC(=O)OCc1ccccc1 2286015124 DIRJYJOXMYKCKE-KRWDZBQOSA-N 451.888 2.421 30 10 JEEE CC(C)(C)OC(=O)N1CC(O)(C(F)(F)CNC(=O)c2csc(B3OC(C)(C)C(C)(C)O3)c2)C1 2288537011 YSPNSGFZNITHJS-UHFFFAOYSA-N 488.362 2.394 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1CC(F)(F)CN1C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2296423321 OCMLVQNOQIATSY-CYBMUJFWSA-N 468.310 2.150 30 10 JEEE Cc1scc(C(=O)N[C@H]2COC[C@H]2NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2320438506 APRCSOVJZRJIMQ-LSDHHAIUSA-N 452.382 2.378 30 10 JEEE CCOc1ccc(C=CC(=O)[C@@H]2CNCC[C@@H]2NC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)cc1 2328155868 VINNHEZUQXLIFA-ZQMYSKGWSA-N 475.545 2.447 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@]2(CC(=O)N=c3nc(B4OC(C)(C)C(C)(C)O4)[nH]s3)CC[C@H]1C2 2340612415 FONSCTOJWWIMBP-ZSEKCTLFSA-N 464.397 2.377 30 10 JEEE CC1=C(B2OC(C)(C)C(C)(C)O2)CCN(C(=O)C2(S(C)(=O)=O)CN(C(=O)OC(C)(C)C)C2)C1 2379891824 NEULEBLJVBWCTD-UHFFFAOYSA-N 484.424 2.201 30 10 JEEE C=CCn1c(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)nnc1-c1cccc([N+](=O)[O-])c1 10480824 KEKWFZNUYUDLKW-UHFFFAOYSA-N 474.524 2.418 30 10 JEEE COc1cc(CNC(=O)CSc2n[nH]c(N/N=C/c3cnn(C(C)C)c3)n2)cc(OC)c1 20910186 JBOVXOKANCTFDB-LSFURLLWSA-N 458.548 2.454 30 10 JEEE CCN(CC)c1ccc(N2C(=NC(=O)CCCC(=O)O)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 254901572 IPVLSJAUJHLJEC-IRXDYDNUSA-N 453.586 2.389 30 10 JEEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2cnn(-c3ccc(F)cc3)c2)c(=O)n1Cc1ccccc1 728557760 RGAIDQSQXPWNIE-UHFFFAOYSA-N 487.560 2.311 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)[C@@H](C#N)C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc2C1=O 916957885 ATZFFGZDKFAUDY-HXUWFJFHSA-N 483.484 2.228 30 10 JEEE C=C(C)COCCNC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 1214485465 QTGCRHDVXCQABA-UHFFFAOYSA-N 452.577 2.022 30 10 JEEE C#CCCCCn1c(Cc2csc(C)n2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1286328735 PRLPECYEFRMXRC-GCJKJVERSA-N 469.659 2.426 30 10 JEEE C#CCN(c1nnc(-c2ccc(Br)cc2)n1CC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1286383342 MCWPIXNAPDXKKO-QGZVFWFLSA-N 479.400 2.249 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1CCCCCOC)[C@H]1CCS(=O)(=O)C1 1286388912 WTXMNGIOUMZQJH-SFHVURJKSA-N 460.556 2.117 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1CCc1nccnc1C)[C@@H]1CCS(=O)(=O)C1 1286396698 XTKVYDPDJAJLSP-OAQYLSRUSA-N 464.595 2.145 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1Cc1sccc1C)[C@@H]1CCS(=O)(=O)C1 1286398281 IBJHUYDCQJWVAY-SCTDSRPQSA-N 464.613 2.047 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1286554369 UJNRUDVIPVVFMU-LAUBAEHRSA-N 491.614 2.025 30 10 JEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](COc2ccccc2)C1 1286701221 WTLBLXBZOUGEGK-TZIWHRDSSA-N 475.615 2.483 30 10 JEEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1([S@](C)=O)CCC1 1286718583 ORCXBJZQCVLHKM-LJAQVGFWSA-N 451.618 2.119 30 10 JEEE C=CCOc1ccc(Cn2c(N3CCN(C(=O)OC)CC3)nnc2[C@@]2(OCC)CCOC2)cc1 1286797602 ZUCJVKAHGIEGBH-XMMPIXPASA-N 471.558 2.432 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN(Cc2ccsc2)CC1 1286818706 MXNBQVFQLRMEGF-UHFFFAOYSA-N 460.629 2.268 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1cccc(C(F)(F)F)c1 1286819791 VZKRNMIFUXRGKF-INIZCTEOSA-N 471.505 2.485 30 10 JEEE Cc1ccc(C)c(OCc2nnc(N3CC[C@](F)(C#N)C3)n2CCCn2cc(CO)nn2)c1 1289501488 GKNLYBYRAZIKHA-QFIPXVFZSA-N 454.510 2.090 30 10 JEEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCn2cncn2)C[C@H]1NC(=O)OC(C)(C)C 1291217629 FOTIEIXGHXSEEK-VQIMIIECSA-N 463.546 2.458 30 10 JEEE C#CC[C@@H](NC(=O)c1c(I)ccc(Br)c1F)C(=O)OC 1299179058 RUSKBTPSMKWIGK-SECBINFHSA-N 454.033 2.488 30 10 JEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2cc(F)ccc2C1 1300364240 JMFPRDIUXYCVPJ-HXUWFJFHSA-N 461.563 2.116 30 10 JEEE C#CCCCn1c(CCOc2ccccc2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1300419473 NKJCFGMNJAVWQY-NRFANRHFSA-N 450.543 2.080 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CC1CN(C(=O)OC(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1300485406 ZXODNXFNXODQGM-GOSISDBHSA-N 489.598 2.340 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@H](C)c1ncc(C)s1)[C@@H]1CCS(=O)(=O)C1 1300499550 UOXBOWXIVYDNFQ-QFBILLFUSA-N 470.624 2.459 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2CC[S@](=O)C(C)(C)C)CC1 1300710162 UYHWGRBQWKTZHF-YTTGMZPUSA-N 459.616 2.168 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H]2CCCN2CC)CC1 1300729443 ZZLHMGSKDHACNP-HXUWFJFHSA-N 455.632 2.084 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)N(C)C2CC2)CC1 1300730688 DVERSTATMIOYML-IBGZPJMESA-N 475.597 2.177 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N(C)CCN2CCOCC2)nnc1[C@]1(OC(C)C)CCOC1 1300897469 RVIYWCGNUDAPKT-HFMPRLQTSA-N 463.623 2.068 30 10 JEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](c2cccc(F)c2)N(C)C)CC1 1301067039 WTOMZFBSBJKJPP-LPHOPBHVSA-N 450.584 2.487 30 10 JEEE C=CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccc(C(N)=O)nc1 1301416436 GSCYUHMYYGMYQW-UHFFFAOYSA-N 460.336 2.217 30 10 JEEE C=CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H]1CCCCS1(=O)=O 1301422208 CBUVZTTYBWSFSU-MRXNPFEDSA-N 472.571 2.200 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1301509847 OGKGJWIUULUXPR-UHFFFAOYSA-N 486.580 2.369 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC(NC(=O)c2ccc(F)cc2)CC1 1301578276 VHJUCAAXPAAZED-UHFFFAOYSA-N 498.584 2.479 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1301579597 XKQIFZFSICLGKG-IAGOWNOFSA-N 491.618 2.075 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCO[C@@H](C(C)(C)C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1301596709 WSYLAIHNDZJBQY-XMSQKQJNSA-N 470.636 2.171 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H](C)OCCOC)n1C[C@@H]1C[C@@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1358874228 UXNGWKKTMYXYFK-UHZRXMQZSA-N 477.606 2.484 30 10 JEEE C#CCCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1358906316 CVDLPGCLUJUUCO-UHFFFAOYSA-N 496.568 2.295 30 10 JEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCc1cccc(OCCC)c1)[C@@H]1CCS(=O)(=O)C1 1358955101 DPXRBYUXRGJHSM-OAQYLSRUSA-N 499.637 2.172 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC1(N(C)C)CCOCC1 1358976397 CKMAZSLROFQILV-UHFFFAOYSA-N 487.608 2.420 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)CN1CCCC1 1358979365 KMUNNJXKVLRSGQ-LEWJYISDSA-N 470.618 2.391 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)N(C)Cc1ccccc1 1358994416 MZRBUHPJVMWGST-UNMCSNQZSA-N 453.612 2.164 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(OC)cc2)nnc1N(C)CC(=O)N1CCOCC1 1359094431 AYEWVAWEESTEQM-SIKLNZKXSA-N 455.559 2.230 30 10 JEEE C=C(C)COCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)CCS(C)(=O)=O 1359132734 DMHZZCHBHPXYGW-UHFFFAOYSA-N 485.651 2.466 30 10 JEEE C=C(Cn1c(Cc2cccnc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1)c1ccccc1 1359140122 PIJMSJPAUGZBLM-UHFFFAOYSA-N 473.581 2.151 30 10 JEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCSc1ccccc1 1359240587 SEFCFEKFHUHRSO-GOSISDBHSA-N 451.618 2.416 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cccc(OCC)n2)CC1 1359296593 OGCYONBPISZSSW-UHFFFAOYSA-N 472.553 2.239 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1359334132 UKBZIWDQGLUFQR-JKSUJKDBSA-N 452.650 2.154 30 10 JEEE CC(C)NC(=O)Nc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@@](F)(C#N)C2)cc1 1360303854 AKMSPCRCNYRJCR-VGOFRKELSA-N 454.510 2.249 30 10 JEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2C[C@@H]3[C@@](C(F)(F)F)(CCCS3(=O)=O)C2)c1 1456970299 UXVJRJAQCINTCW-SJLPKXTDSA-N 463.499 2.065 30 10 JEEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CCCSc3ccc(Br)cc32)C1=O 1461682888 SQNWKIDRSQXAPX-ZDUSSCGKSA-N 452.330 2.469 30 10 JEEE N#Cc1cc(Br)cc(S(=O)(=O)N2CCN(C(=O)c3cccc(O)c3)CC2)c1 1463158262 CAOJYNCFSVDEBF-UHFFFAOYSA-N 450.314 2.173 30 10 JEEE CCOC(=O)c1c(NC(=O)N[C@@H]2C[C@H](C)N(c3ccccc3)C2=O)c(C#N)cn1CCOC 1466104038 BACBUCLQHSWHSA-MAUKXSAKSA-N 453.499 2.498 30 10 JEEE C#C[C@@H](NC(=O)N1CCN(c2ncnc3c2cnn3C)CC1)c1ccc(Br)cc1 1470662585 GKPNSRAKBOSFHV-QGZVFWFLSA-N 454.332 2.332 30 10 JEEE CCC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCS(=O)(=O)C2)CCO1 1500282407 AGHNPFCYNBOQJD-UYAOXDASSA-N 459.572 2.169 30 10 JEEE CCN(C)C(=O)Cn1c(Cc2cccnc2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1501426622 HSQXRZQITXNZGN-UHFFFAOYSA-N 472.597 2.326 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCc1c(F)cccc1F)[C@@H]1CCS(=O)(=O)C1 1507638226 PPTNNUXQAQHLFP-DNVCBOLYSA-N 450.511 2.277 30 10 JEEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1C[C@@H](c1ccccc1)N1CCOCC1 1507657269 PIFJWIOAUIMDSV-DEOSSOPVSA-N 457.582 2.286 30 10 JEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1507744855 XKGABOLEBSXQRY-UHFFFAOYSA-N 457.560 2.018 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2OC)n1CC1(C(N)=O)CCOCC1 1507772079 LZCTUNCFPFTYFX-HSZRJFAPSA-N 453.543 2.140 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccc2OC)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1507804092 JVESHTLIDXGQOJ-KNKQGSTJSA-N 460.600 2.482 30 10 JEEE C=C(C)COCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1507838061 JYJDCTJKYVJSMF-UHFFFAOYSA-N 493.616 2.171 30 10 JEEE C=C(C)COCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1507839666 GUFVNWCHLNQYBT-UHFFFAOYSA-N 470.574 2.121 30 10 JEEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1507842906 OBBUQJGEUUSWRD-UHFFFAOYSA-N 451.579 2.000 30 10 JEEE C=C(Cl)Cn1c(Cc2ccsc2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1507868972 KIOHWEQVUVYRFW-UHFFFAOYSA-N 468.992 2.323 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCCS(=O)(=O)C1 1507996138 GRDNOXCHZSTLSU-FQEVSTJZSA-N 470.599 2.305 30 10 JEEE C=CCN(CC=C)c1nnc(-c2cccc(Br)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1508015327 ROOBILQLBKSOEL-IBGZPJMESA-N 467.389 2.436 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC2(C(N)=O)CCCC2)C1 1508130272 GXXDCUJRQMAARS-INIZCTEOSA-N 458.588 2.097 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC[C@@H](CN2CCCC[C@H]2C)C1 1508141494 VUEYUZBPEXVBHR-UXHICEINSA-N 473.647 2.427 30 10 JEEE CN(C)C(=O)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1516959460 CZLZQZPLLSGSPH-UXHICEINSA-N 452.559 2.460 30 10 JEEE C#CCCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC[C@H](C(N)=O)C1 1539078635 BWDOUWKGKABJQQ-QFIPXVFZSA-N 463.630 2.148 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(OC)c2)n1CC1CCS(=O)(=O)CC1 1539306957 OHAYXGLOPGWEJS-UHFFFAOYSA-N 456.568 2.250 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCC(F)(F)F)CC1 1539437904 JPLDKSVVXYGMEU-UHFFFAOYSA-N 455.506 2.446 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@]2(O)CCC[C@@H]2C)CC1 1539474624 VPUGAJLPPSAPLP-AVRWGWEMSA-N 451.571 2.471 30 10 JEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@]2(C1)OCc1ccccc12 1539497467 MRXNRUXHIYPNBR-VGOFRKELSA-N 475.640 2.281 30 10 JEEE C#CCSCCn1c([C@H](C)OCCOC)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1539498165 QIKUTQAWUDLVRC-SFHVURJKSA-N 470.661 2.306 30 10 JEEE C#CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CC2CC2)CC1 1539517325 LWMFBZQRWFHYIW-FQEVSTJZSA-N 490.674 2.485 30 10 JEEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1539526372 NUYUWANRWQBVQB-VGSWGCGISA-N 475.640 2.410 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)[C@H](C)CC(N)=O 1539633534 ZJIBHQQZAANKQJ-LMNJBCLMSA-N 468.606 2.133 30 10 JEEE C=C(C)COCCn1c(-c2ccc[nH]2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1539742307 ANVJUFZZAMVYOZ-UHFFFAOYSA-N 452.563 2.246 30 10 JEEE C=C(Cl)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1539813046 VBWBPMZKRPIHPZ-FQEVSTJZSA-N 450.996 2.323 30 10 JEEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](NC(=O)OCC)C1 1539902478 IFYRBRQFRHALTC-HOTGVXAUSA-N 456.613 2.206 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC2(O)CCC2)C1 1540892538 NIDBMQBBKONFCG-ROUUACIJSA-N 463.579 2.283 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CC[C@H](Cc2ccc(F)cc2)C1 1540898000 XSICKMZNEKRMMB-GOSISDBHSA-N 463.579 2.225 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](c2cccc(OC)c2)C1 1540907907 MCBYXBUCNQRUJL-WOJBJXKFSA-N 462.572 2.317 30 10 JEEE CC(C)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1541378689 GGJKHQBJELSQAT-XXBNENTESA-N 473.599 2.151 30 10 JEEE CCN1CCN(C[C@@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCCN(C(C)=O)CC2)CC1 1547727418 DSVDWZRDMOFILK-OAQYLSRUSA-N 478.645 2.149 30 10 JEEE CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(Cc2cnc(C)s2)CC1 1554482668 GRMVPAQBCXDXLR-UHFFFAOYSA-N 450.572 2.040 30 10 JEEE C=CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(OCCN3CCNC3=O)cc2C)c1 1567982241 BBKPIOBHVLDTKI-UHFFFAOYSA-N 458.540 2.116 30 10 JEEE C=CCn1cc(CNC(=O)[C@@H](CCSC)NC(=O)c2ccccc2Br)nn1 1570505481 GRGBGXXUSDOQOY-MRXNPFEDSA-N 452.378 2.395 30 10 JEEE C=CCn1c(SCC(=O)NCC(C)(C)CS(N)(=O)=O)nnc1-c1ccc(Cl)cc1 1587415045 KLQJHMLVXVTKJG-UHFFFAOYSA-N 458.009 2.308 30 10 JEEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CCCNC(=O)c1occc1C 1587667947 PIUOKZXWZKQMJV-INIZCTEOSA-N 454.556 2.449 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2C[C@H]2CCO[C@@H]2C(=C)C)c1 1587697125 KGAGXKSNUXCALB-CJFMBICVSA-N 476.581 2.438 30 10 JEEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCN1CCCCCC1=O 1587984593 GHMMFESOOBMNRV-UHFFFAOYSA-N 450.591 2.314 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1CCNC(=O)c1ccc(C)c(F)c1)[C@H]1CCS(=O)(=O)C1 1588030033 OITSJPQNBXPRHB-APWZRJJASA-N 475.590 2.296 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCCN(CC)CC)[C@@H]1CCS(=O)(=O)C1 1588034885 NBNBCVYEVMRNOU-QGZVFWFLSA-N 497.463 2.394 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1C[C@H](COC)OC)[C@H]1CCS(=O)(=O)C1 1588040931 SCSTYUVYQIZFGY-JKSUJKDBSA-N 470.954 2.026 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@]1(O)CCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1588064429 IBNFJBRFAUMOPX-DRMXPCRNSA-N 472.611 2.055 30 10 JEEE C#CCN(c1nnc(CN2CCCC2=O)n1CC[C@@H](C)c1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1588069840 TXGNVBJWNGBODJ-TZIWHRDSSA-N 499.637 2.230 30 10 JEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@H]1CCN(c2ccccc2OC)C1 1588245695 OATZDTARBQSWJY-NRFANRHFSA-N 460.582 2.399 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCCN(C)C2CCCCC2)CC1 1588962095 TYOCZOBIXRTGNM-UHFFFAOYSA-N 483.661 2.021 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC(C)(C)C)n1C[C@@]1(O)CCS(=O)(=O)C1 1595100847 VJUWCLOMXRNAPA-QHCPKHFHSA-N 457.600 2.481 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(C(N)=O)CCOCC1 1595219116 PYBFGKCFOLGNDW-GOSISDBHSA-N 490.605 2.047 30 10 JEEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1595555500 AONKPXPGYJXORO-LJQANCHMSA-N 487.599 2.054 30 10 JEEE CCOCc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1C[C@@H]1CCOC[C@H]1OC 1616910029 AROCSDWXSSSICX-LAUBAEHRSA-N 458.538 2.203 30 10 JEEE COc1ccc(CCc2nnc(N3CCN(c4nccnc4C#N)C[C@@H]3C)n2C[C@H](C)OC)cc1 1619238546 BKYRBVUPTKFPDB-OALUTQOASA-N 476.585 2.484 30 10 JEEE Cc1nn(C)c2sc(C(=O)N[C@H](C)C(=O)NC3CCN(c4ccc(C#N)cn4)CC3)cc12 1632292300 HHUXRBNZKRZXOQ-CQSZACIVSA-N 451.556 2.113 30 10 JEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@](C)(CO)c1cccc(C(F)(F)F)c1 1640840699 CKIYHGOXNFSIIU-BFUOFWGJSA-N 455.458 2.268 30 10 JEEE COc1ccc(-c2noc(CN3CCN(S(=O)(=O)c4ccc(C#N)cc4F)CC3)n2)cc1 1666284841 HVZHXLHPMLTFMW-UHFFFAOYSA-N 457.487 2.262 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1ccsc1)N(CC)CC 1689853131 PNZYMFJZQKLFBE-IHPCNDPISA-N 494.687 2.214 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2Cc2csc(COC)n2)c1 1689871714 CLXDIPDSBLTEJY-QGZVFWFLSA-N 466.567 2.489 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CCOC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1689996306 GXVOCKBCZAHXFN-LJQANCHMSA-N 471.583 2.171 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2Cc2ccc(C[S@](C)=O)cc2)CC1 1690142042 GREKATHZYNSSJZ-UMSFTDKQSA-N 476.606 2.233 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1690196659 SKSYCYYGRQBJQE-GAJHUEQPSA-N 473.599 2.236 30 10 JEEE C=C(Cl)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(S(C)(=O)=O)CC1 1690334020 BKHBZFSQXCRCDO-UHFFFAOYSA-N 458.993 2.115 30 10 JEEE C=CCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1690456451 GSFCQJYFMGNMKX-UHFFFAOYSA-N 463.586 2.154 30 10 JEEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1690526827 DYAMFCRDTKTGRQ-IRXDYDNUSA-N 453.609 2.450 30 10 JEEE C=CCN(CC=C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1690586893 VWAAYFATFMWWJJ-HXUWFJFHSA-N 454.499 2.275 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1690661775 HAXJEPWMWPKLGA-UHFFFAOYSA-N 499.641 2.268 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2snnc2C)C1 1690689242 ABJYCWRHZZCLBR-INIZCTEOSA-N 460.585 2.338 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(C)[C@H](C)c1ccc([S@@](C)=O)cc1 1690722558 NNQGLIYMIDFGGM-RKXCMPKHSA-N 476.628 2.214 30 10 JEEE CN(C)C(=O)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1696582326 FCCZLLUKBRTZNB-VWLOTQADSA-N 492.584 2.083 30 10 JEEE CN(Cc1cccc(C#N)c1)c1nnc(Cc2ccccn2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1696689094 FQDWOJOPIHNRCE-HXUWFJFHSA-N 465.583 2.053 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CC2CCN(CCC)CC2)c1 1705506012 XNBQNMYBGTUUGD-QFIPXVFZSA-N 477.613 2.407 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1cccnc1OCC(F)F)[C@H]1CCS(=O)(=O)C1 1705566904 RSVQJHFOVIMYOS-ZWKOTPCHSA-N 495.552 2.234 30 10 JEEE C#CCN(CC#C)c1nnc(CCc2ccc(OC)cc2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1705586244 ATMMCGKZSARDNX-OAQYLSRUSA-N 475.515 2.408 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1CC1(S(C)(=O)=O)CCC1 1705621337 XSMBOIZIKKKKIN-UHFFFAOYSA-N 473.574 2.147 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2ccc(F)c(C)c2)CC1 1705644926 GRIGSQRPDAXEQH-GOSISDBHSA-N 457.550 2.464 30 10 JEEE C#CCSCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC(=O)N(C)C[C@H]1C 1705659611 BBHLRQKYMHRYOA-MSOLQXFVSA-N 476.647 2.426 30 10 JEEE C=CCn1c(COc2ccc(F)cc2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1705893052 ZWUDBSWVPGQCTI-UHFFFAOYSA-N 470.549 2.123 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1705903769 TWALOFVIHYQXBR-QFIPXVFZSA-N 493.656 2.288 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1705933121 UZJDWMKCYXMSMC-MRXNPFEDSA-N 461.563 2.180 30 10 JEEE CCO[C@@H]1C[C@@H](N(C)c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)N(C)C)C1(C)C 1710588046 CTTJAOFZYXYJNH-RTBURBONSA-N 460.604 2.348 30 10 JEEE COCC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC[C@@H](O)C2)CC1 1712108040 AIQNSDCJIOMCAL-GHTZIAJQSA-N 452.559 2.099 30 10 JEEE C#CCN(c1nnc(-c2ccc(F)cc2Br)n1C[C@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1722361337 HKJDZWOZDFESDF-GOEBONIOSA-N 498.422 2.424 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CCCN1CC)[C@@H]1CCS(=O)(=O)C1 1722371721 XTFCPYVQVOVETQ-XRXFAXGQSA-N 477.675 2.308 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCn2ccnc2C1 1722389036 CWXKKIPQQIZIMF-FQEVSTJZSA-N 491.621 2.117 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H](C)COC)CC1 1722443090 NAJXHRHXRPUMOR-QGZVFWFLSA-N 455.559 2.211 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CCCN2CCCCC2=O)CC1 1722448617 FEEABVRECRKXAC-UHFFFAOYSA-N 483.642 2.002 30 10 JEEE C=C(Br)Cn1c(-c2cccn2C)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1722483298 ITYHXCRIMRIULR-KXBFYZLASA-N 476.423 2.181 30 10 JEEE C=C(Br)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1722488949 DOANKQXXSCRHPO-MRXNPFEDSA-N 466.361 2.261 30 10 JEEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(C)(C)N1CCOCC1 1722641291 ZNDOOMNUGCIVAT-SFHVURJKSA-N 464.611 2.320 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC2(CCCCC2)O1 1722681067 GBGCWYTUXMAOSU-PMACEKPBSA-N 497.662 2.132 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(Cl)c1C 1722681790 SLFUJTPKYDGLMC-LJQANCHMSA-N 484.022 2.260 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCCN(C(=O)C2CC2)CC1 1722689977 CDJINTIHFISYNY-KRWDZBQOSA-N 470.549 2.308 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCOC(C)(C)[C@@H]1C 1722693195 GKIXOOYMAWYWEJ-HNNXBMFYSA-N 459.547 2.277 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1722727096 LPHPGMBOCWDJEC-INIZCTEOSA-N 493.552 2.015 30 10 JEEE N#C[C@@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2ccccc2OC(F)F)C1 1731181067 FGSTXEMYQXPVMB-QRWLVFNGSA-N 469.489 2.466 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1c(C)nn(-c2ccccc2)c1C 1740532466 GIUYHIVDMRBYKR-RDJZCZTQSA-N 455.588 2.197 30 10 JEEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1740566905 KWQPVHURYFHGES-UHFFFAOYSA-N 475.557 2.163 30 10 JEEE C#CCN(c1nnc(C2CCCC2)n1CCCN1CCCO[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1740623712 ZOAINQWQMSHNMS-FPOVZHCZSA-N 463.648 2.063 30 10 JEEE C#CCN(c1nnc(COc2ccccc2OC)n1C[C@@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1740628085 NBQKQWXSKSRUMF-MOPGFXCFSA-N 474.583 2.062 30 10 JEEE C#CCN(CC#CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@H]1CC=CCO1 1740659224 WNUNHMZHAGMTCV-RUZDIDTESA-N 458.610 2.451 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1nncn1CC 1740678991 XIWCYXCDCBOTKW-RXVVDRJESA-N 453.522 2.441 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCNC(=O)C(C)(C)C)CC1 1740690308 QXHMUBPKZUUQKK-UHFFFAOYSA-N 465.602 2.065 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCN(C)c2ccccc2)CC1 1740703282 MNZPXDOVZSPXIB-HHHXNRCGSA-N 494.640 2.421 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(F)c(Cl)c2)CC1 1740704354 LUMPULIMZGQVHU-UHFFFAOYSA-N 455.925 2.485 30 10 JEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](COc2ccccc2)C1 1740720469 ZMXZCSHSDNIADQ-HXUWFJFHSA-N 455.584 2.051 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)N1CCN(c2ccccc2)CC1 1740724935 KMBSKZATVXNMHX-DNRQZRRGSA-N 499.685 2.091 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(S(C)(=O)=O)CCC1 1740935565 PTENTGOCGJBUNF-HXUWFJFHSA-N 492.667 2.383 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1740961325 ABIRSKGKZLOPPI-XMMPIXPASA-N 451.575 2.460 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCOC3)n2CCNC(=O)Cc2cccc(F)c2)C1 1740979436 FDZHLMQBXJTHGA-FPOVZHCZSA-N 457.550 2.451 30 10 JEEE CC(C)N1CCC[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(CC#N)CC2)C1 1741918254 ALSUTQURFYURNI-MJGOQNOKSA-N 451.641 2.139 30 10 JEEE C[C@@H]1CC[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(CC(=O)N(C)C)CC2)C1 1742998476 GIGHBMNLSYZRHI-CTNGQTDRSA-N 465.602 2.375 30 10 JEEE CCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1745463156 HPJVSNZPWGQCAL-UHFFFAOYSA-N 468.587 2.170 30 10 JEEE CCN(CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(C#N)C1)CCC(F)(F)F 1746313104 FBIVKRYLGIUZET-QAPCUYQASA-N 479.573 2.293 30 10 JEEE CCOc1c(OC)cc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@@](F)(C#N)C2)cc1OC 1746757705 BHEDEEPSNNEYRB-OYHNWAKOSA-N 458.494 2.135 30 10 JEEE C#CCN(c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@](C)(O)C(C)C)[C@H]1CCS(=O)(=O)C1 1748808741 MQCFLAHMXDCHSC-CYFREDJKSA-N 482.610 2.369 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1748978942 URFKOLHIEBOMMJ-MSOLQXFVSA-N 478.018 2.261 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2CCCS2)CC1 1749003234 BZGFPFXXMPMFPI-XXBNENTESA-N 461.632 2.180 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@](C)(O)C2CC2)CC1 1749006174 JSSCGEPPKIALIK-VWLOTQADSA-N 467.570 2.089 30 10 JEEE C=CC1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@]2(C)CN(C)C2=O)CC1 1749342782 OQGCFRTYRXCUNP-HOYKHHGWSA-N 474.606 2.467 30 10 JEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2cccc(OC)c2)C1 1749426827 IOJXXFDEJSBRQA-RTWAWAEBSA-N 491.614 2.164 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1749531731 MSWDDWMRCIJHMX-HNWIBAKRSA-N 473.537 2.373 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCCC1 1749532692 VXZWEPFMJZWOQA-NRFANRHFSA-N 454.600 2.340 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](c2ccccc2)C1 1749741073 ONRWWWCQADGNAL-ACRUOGEOSA-N 476.599 2.181 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H](N1CCOCC1)C(F)(F)F 1760106795 HCYMMTAGZSMMHJ-KBXCAEBGSA-N 451.449 2.395 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(Cl)s1 1760154561 GIGBJIZTMYNJMI-HNNXBMFYSA-N 458.009 2.376 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1Cc1snnc1C)[C@H]1CCS(=O)(=O)C1 1760180457 FSKQCJIBFRNJGX-WBVHZDCISA-N 490.586 2.392 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCc1cc(F)cc(F)c1)[C@H]1CCS(=O)(=O)C1 1760192337 HVDQFCUQQZGYAP-YYWHXJBOSA-N 494.564 2.150 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H](C)CN1CCOCC1 1760216193 DPWPYFZBWACWEU-IBGZPJMESA-N 459.554 2.025 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@H]2CCOC[C@H]2OC)CC1 1760271120 MRRDHAZAIXCGDP-LADGPHEKSA-N 495.624 2.491 30 10 JEEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cc(F)cc(F)c2)CC1 1760352426 QZTOUBQFYCSWBP-INIZCTEOSA-N 484.573 2.086 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1760411816 DCGINGUQNVTFEZ-OAHLLOKOSA-N 456.572 2.317 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCNC(=O)CC1 1760516760 UYHBDNIYJSGMGB-INIZCTEOSA-N 460.966 2.317 30 10 JEEE C=CCNC(=O)Cn1c(N2CCc3ccc(OCC)cc3C2)nnc1[C@@]1(OCC)CCOC1 1760528349 ACGAKRBORUISCV-XMMPIXPASA-N 455.559 2.194 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc3ccccc3o2)nnc1N1CCC(C(=O)NC)CC1 1760551769 QZUOJFDUGVVUMC-UHFFFAOYSA-N 457.556 2.255 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@H](Cn2cccn2)C1 1760551871 VDSIYCXGLCZSOR-IBGZPJMESA-N 476.990 2.301 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC(C(=O)NC)CC1 1760557617 REOXUJVYVNBIJM-UHFFFAOYSA-N 475.615 2.037 30 10 JEEE C=CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1760565297 TUCQZXDBQVDDKO-SFHVURJKSA-N 457.604 2.259 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)(C)c1ccc2c(c1)OCCO2 1760688149 BPZPTSBLRUNICR-HZPDHXFCSA-N 476.603 2.233 30 10 JEEE C=CCNC(=O)[C@@H](CCSC)NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccc3c(c1)OCO3)C2=O 1861509883 YOHNQUXLUDSLAX-LJQANCHMSA-N 495.557 2.365 30 10 JEEE C=CCN(CC=C)C(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccc(C(C)C)cc1 1865728785 IQXFBRCFSNFQSS-GOSISDBHSA-N 450.539 2.103 30 10 JEEE COc1ccc(CCN2C[C@@H](C(=O)Nc3c(C#N)nnn3-c3ccccc3)CC2=O)cc1OC 1870148725 AUNRPFJQJQUBFR-KRWDZBQOSA-N 460.494 2.186 30 10 JEEE N#Cc1ccc(COc2cn(Cc3ccccc3)c(CN3CCN(CCO)CC3)cc2=O)cc1 1870348552 CHKGZVQELRVLJX-UHFFFAOYSA-N 458.562 2.457 30 10 JEEE CCOc1cc(/C=N/n2c(C)nnc2SCC(=O)OC)ccc1OCC(=O)N(CC)CC 1874533716 YITPRJVYGSUPRS-WSDLNYQXSA-N 463.560 2.380 30 10 JEEE N#CCCOCCS(=O)(=O)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1990653510 PLGSERXQWUXTAW-OAQYLSRUSA-N 472.519 2.323 30 10 JEEE CN[C@@H](C#Cc1ccccc1Br)[C@]1(NC(=O)OC(C)(C)C)CCS(=O)(=O)C1 2235717469 BDSIKYJSJYGKIH-LPHOPBHVSA-N 457.390 2.471 30 10 JEEE CC1(C)OB(c2n[nH]cc2C(=O)N2CCC[C@H](NC(=O)OCc3ccccc3)C2)OC1(C)C 2253171352 BAGUDPGNGWDMRV-KRWDZBQOSA-N 454.336 2.240 30 10 JEEE CC1(C)OB(c2n[nH]cc2C(=O)N[C@H](CNC(=O)OCc2ccccc2)C(F)(F)F)OC1(C)C 2255617404 CBKZVITWLOIZQK-OAHLLOKOSA-N 482.268 2.296 30 10 JEEE CC(C)(C)OC(=O)NC1[C@H]2CN(S(=O)(=O)c3sccc3B3OC(C)(C)C(C)(C)O3)C[C@H]12 2255749985 CCDBYZDJFXIRST-STQMWFEESA-N 470.422 2.191 30 10 JEEE CC(C)(C)OC(=O)NC1[C@H]2CN(S(=O)(=O)c3cc(B4OC(C)(C)C(C)(C)O4)cs3)C[C@H]12 2255751499 BMEBPPIXZFWUPO-KBPBESRZSA-N 470.422 2.191 30 10 JEEE C=C(CS(=O)(=O)N1CCO[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2255803761 SXRCDBRVEOZDCC-HZPDHXFCSA-N 460.402 2.118 30 10 JEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N(CCC(N)=O)Cc1ccccc1 2255930835 AZBXGFHRELKBNA-UHFFFAOYSA-N 464.418 2.422 30 10 JEEE COC[C@]1(NC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)CCN(C(=O)OC(C)(C)C)C1 2267164577 UDRUJCBHEJAYDN-NRFANRHFSA-N 467.397 2.198 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC2CC3(C2)C[C@H]3NC(=O)OCc2ccccc2)n1 2267496852 FKCLXHALCAELNO-WHEQYPTASA-N 480.374 2.297 30 10 JEEE COC(=O)[C@@H](CCNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)NC(=O)OC(C)(C)C 2267588641 ORNZQSODIRFTOY-CYBMUJFWSA-N 468.381 2.234 30 10 JEEE CC(C)(C)OC(=O)N[C@H](Cc1cnc[nH]1)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2268631198 UZMLHVVXMXRSLN-CYBMUJFWSA-N 463.369 2.240 30 10 JEEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H](C2)[C@H]1CC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2268640299 VUVUCIGLIDRATR-MELADBBJSA-N 464.397 2.376 30 10 JEEE C[C@H]1COC[C@H](C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)N1C(=O)OC(C)(C)C 2268646482 JVZJORGTYAAJED-UONOGXRCSA-N 467.397 2.083 30 10 JEEE CCc1nc(C(=O)N[C@H](COCc2ccccc2)C(=O)O)c(B2OC(C)(C)C(C)(C)O2)s1 2269068148 BUNKHFIDMCYWRW-OAHLLOKOSA-N 460.361 2.405 30 10 JEEE CC(C)(C)OC(=O)NCC1CC([S@](C)(=O)=NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2281989271 XNJVYFQFIRBGJO-ICZALSQNSA-N 482.412 2.250 30 10 JEEE CC(C)(C)OC(=O)N1CC2(CC[C@H](CNC(=O)c3occc3B3OC(C)(C)C(C)(C)O3)O2)C1 2282034250 FNIOCQYXDVDYCT-OAHLLOKOSA-N 462.352 2.477 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@H]2CCN(C(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)o3)C[C@@H]21 2282200121 JZVGIMUXSYZPDS-JKSUJKDBSA-N 462.352 2.429 30 10 JEEE Cn1cc(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 2282552244 INCAWYLWIROBOP-VYDXJSESSA-N 460.384 2.237 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 2282594012 YLGRDSRIKQXSMP-VQTJNVASSA-N 450.392 2.374 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](F)CN1S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282858220 TYLVDPCLLILVEQ-CVEARBPZSA-N 485.387 2.007 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CC(NC(=O)c3nccnc3B3OC(C)(C)C(C)(C)O3)C[C@H]2C1 2283056655 PMBNQWHXHNKURL-GJZGRUSLSA-N 458.368 2.151 30 10 JEEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@]3(C(=O)O)CCN(Cc4ccccc4)C3)s2)OC1(C)C 2284400490 ALUGFRMDTSJHGV-JOCHJYFZSA-N 492.428 2.055 30 10 JEEE COc1cc(C(=O)N[C@H](COCc2ccccc2)C(=O)O)ccc1B1OC(C)(C)C(C)(C)O1 2284463757 ZWOBMEPWTPQQBW-LJQANCHMSA-N 455.316 2.394 30 10 JEEE CN(Cc1ccccc1)C[C@H](NC(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1F)C(=O)O 2284494399 MYXQLEATZQLTMV-IBGZPJMESA-N 456.323 2.440 30 10 JEEE CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)C(=C(C)NCC(=O)Nc3nccs3)C(=O)[C@@]12C 2297591252 RLXGHRPRQUCCTH-QHCPKHFHSA-N 483.502 2.253 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](NS(=O)(=O)c3cncc(B4OC(C)(C)C(C)(C)O4)c3)[C@H]1C2 2359273797 ZCMSLBQYJUXSKO-FHLIZLRMSA-N 479.408 2.057 30 10 JEEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@H](CCO)COCc3ccccc3)cc2F)OC1(C)C 2369629689 OVIVLJNEIABWCG-GOSISDBHSA-N 479.379 2.371 30 10 JEEE COc1cccc(/C=C2/Oc3c(CN4CCN(CCO)CC4)c(O)cc(C)c3C2=O)c1OC 37857496 KWBGIPBEPLFIIQ-KGENOOAVSA-N 454.523 2.444 30 10 JEEE CCN(CC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N/N=C(/C)c1ccc(S(=O)(=O)NC)cc1 96686640 ZUBGXNIARWIRAC-STZFKDTASA-N 483.572 2.370 30 10 JEEE C#CCN(C(=O)c1cccc(S(=O)(=O)N(C)c2cccc(Cl)c2)c1)[C@@H]1CCS(=O)(=O)C1 729331931 RSISZMNFCNSMML-LJQANCHMSA-N 480.995 2.428 30 10 JEEE C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)CC1 1140132830 PZBGOFPPUWTZJE-LOSJGSFVSA-N 479.024 2.449 30 10 JEEE COc1ccc(CN2CC[C@H](NC(=O)CCc3c(C)nn(CCC#N)c3C)C2=O)c(OC)c1 1140231037 HSVIRXCMOBIMFM-NRFANRHFSA-N 453.543 2.281 30 10 JEEE C=CCC[C@@H](CO)NC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(Br)s1 1140627541 XCIYUNSGDSAOFT-QWHCGFSZSA-N 451.408 2.497 30 10 JEEE C=C(Cl)CSc1nc(C)c(CC(=O)N[C@H]2CCN(c3cc(=O)n(C)c(O)n3)C2)s1 1157313240 CYPGJFBXVFTIGF-LBPRGKRZSA-N 455.993 2.033 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccc(OC)cc1)N1CCCC1 1286298150 GEGKGPRKVMOLMA-RCZSKKKRSA-N 471.627 2.484 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(Cl)nc2)c1 1286310923 HWMCDUJNWQSUMJ-GOSISDBHSA-N 498.996 2.333 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1CCCN1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1286388153 YWLJSMASTFIGOV-FQEVSTJZSA-N 456.616 2.089 30 10 JEEE C#CCN(c1nnc(COCC)n1CCNc1ncc(Cl)cc1Cl)[C@@H]1CCS(=O)(=O)C1 1286396617 QRQZSIIALVXSOG-OAHLLOKOSA-N 487.413 2.255 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCN(C2CC2)C1 1286422532 ZUVUPLUVPPSZLB-HXUWFJFHSA-N 480.638 2.143 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)N2CCCC2)n1CCCc1cnn(C)n1 1286452625 QCIHAIAIMDZOJM-UHFFFAOYSA-N 450.522 2.054 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCN2C[C@H](C)C[C@@H](C)C2)CC1 1286473466 LVSKDYKKSLAHAQ-FGZHOGPDSA-N 498.697 2.472 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2CCNS(=O)(=O)c2ccc(C)s2)CC1 1286486485 MVTZLLLIRFHNGU-INIZCTEOSA-N 492.671 2.106 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CC(F)(F)Br)CC1 1286495161 XRQJFITTXWTKEF-AWEZNQCLSA-N 460.323 2.473 30 10 JEEE C#CCSCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1286499762 OIHFMMSZDXTVAS-QGZVFWFLSA-N 464.613 2.342 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1286548942 VJUGJMIOVSEMSK-CZAYHTPWSA-N 474.650 2.335 30 10 JEEE C=CCCCCn1c(-c2cccnc2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1286685274 SMONKBZPQAYSNF-UHFFFAOYSA-N 470.603 2.249 30 10 JEEE CCN1CCN([C@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N(C)C[C@H](C)C#N)CC1 1296132276 AHXXVJWMFOPRFA-WOJBJXKFSA-N 450.591 2.351 30 10 JEEE CCOc1ccc(O[C@H](C)c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@]2(OC)CCOC2)cc1 1296810083 BOTXGZSMKHIKPY-LLBVYWAGSA-N 457.531 2.351 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2C[C@@]2(O)CCC[C@@H]2C)c1 1300337341 ZLWUTQHYNWKNLX-BVZFJXPGSA-N 464.570 2.008 30 10 JEEE C#CCCCn1c(COc2ccc(OC)cc2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1300422451 OJTHMDWNWVQUQV-IBGZPJMESA-N 473.599 2.283 30 10 JEEE C#CCN(c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1300489802 SKYRWFJHQCHOMC-FQEVSTJZSA-N 482.614 2.374 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCn1nc(C)cc1C 1300516408 NRGKYXWLVPHBRZ-UHFFFAOYSA-N 450.568 2.325 30 10 JEEE C#CCN(CC#C)c1nnc(CSc2ccc(Cl)cc2)n1CCN1CCN(C(C)=O)CC1 1300547154 HPQREDTZUAVFLD-UHFFFAOYSA-N 471.030 2.461 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)Cc2ccc(OC)cc2)CC1 1300681406 OGKQKGDYJZXTKC-HXUWFJFHSA-N 450.587 2.157 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccn3C)n2C[C@H]2CC(F)(F)CO2)n1 1300681407 OIUZVVLXVGNDMH-GOSISDBHSA-N 459.501 2.191 30 10 JEEE C#CCSCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1300770279 RNUBHWIRLQZGKY-UHFFFAOYSA-N 498.653 2.415 30 10 JEEE C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1300939127 PGUOPCLHAYMXDH-UHFFFAOYSA-N 463.542 2.359 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1301483888 XONFOHTZHNNRQG-CQSZACIVSA-N 479.379 2.112 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1301490445 TWQBLMBGFNPVQP-OAQYLSRUSA-N 493.656 2.333 30 10 JEEE CC(C)(C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1302013981 GVTGZBMFSBXWDC-NRFANRHFSA-N 465.602 2.280 30 10 JEEE Cc1ccc(-c2noc(CCCN3CCN(S(=O)(=O)c4cncc(C#N)c4)CC3)n2)cc1 1309052688 GARJFHDLHUQRAC-UHFFFAOYSA-N 452.540 2.251 30 10 JEEE C#CCCCn1c(-c2ccccc2F)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1358925848 UIUCZUJCYDXSCA-UHFFFAOYSA-N 458.519 2.138 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCc1nccs1)[C@H]1CCS(=O)(=O)C1 1358954980 BSLNUSMFDHCIEZ-IBGZPJMESA-N 498.634 2.473 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@H](OC)[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1358965585 XLXMKIVYFZRIFN-LZQZEXGQSA-N 465.645 2.322 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H](C2CCCCC2)N(C)C)CC1 1359027947 BIKDFWWUSHVLNB-JOCHJYFZSA-N 457.667 2.462 30 10 JEEE C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H]2CCC[C@@]1(C)C2 1359085052 ZRSHRGWFZZUDMM-RKVPGOIHSA-N 474.425 2.289 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C)C(=O)C1 1359089163 CMUJLJLOALRBGL-NQIIRXRSSA-N 452.559 2.407 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCC1CCOCC1 1359099611 QOHRLHGVZOGATC-UFYCRDLUSA-N 452.621 2.414 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC(n2c(C)nc3ccccc32)CC1 1359291596 WPRAVCWJWFLAKB-UHFFFAOYSA-N 464.574 2.218 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1359292691 VYNOOAQBYBSEPL-HNNXBMFYSA-N 477.500 2.394 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CC1CCC1 1359333161 PMLSAHXVPZBPTN-GOSISDBHSA-N 483.635 2.424 30 10 JEEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1359336277 KJUUGRUNDLAPRU-MRXNPFEDSA-N 460.608 2.008 30 10 JEEE C=CCOc1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H]3CS(=O)(=O)C[C@H]32)cc1OC 1456657106 RKBSXJOKNWCGRH-SJORKVTESA-N 466.556 2.119 30 10 JEEE C=C(Cl)C[C@@H](NS(=O)(=O)c1cc(C(N)=O)c(F)cc1Br)C(=O)OCC 1464258189 PSICJQANLDZQRV-LLVKDONJSA-N 457.705 2.040 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H](C)c1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 1507632348 ZHXGCLQUVVAEHX-QUCCMNQESA-N 450.568 2.474 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1CCC(=O)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 1507632976 CCJLELGYPMGDAS-QFIPXVFZSA-N 483.638 2.207 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1c(CC)nn(C)c1OC 1507712838 QNODHNZDKDRBQM-UHFFFAOYSA-N 476.541 2.033 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@]2(N(C)C)CCC[C@@H](C)C2)CC1 1507719309 MVZQEFFQSMNZHG-ZODMCCGTSA-N 458.651 2.196 30 10 JEEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@H](OC)C1 1507747289 GKFSMJAAQNOVKB-SFHVURJKSA-N 463.629 2.177 30 10 JEEE C#CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N(CCS(C)(=O)=O)C1CC1 1507751406 NXGMWJWLHNHQOO-IBGZPJMESA-N 462.597 2.170 30 10 JEEE C=C(Br)Cn1c(Cc2ccsc2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1507788716 PWNGQANGMKHYGX-AWEZNQCLSA-N 460.423 2.357 30 10 JEEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](OC(C)(C)C)C1 1507869084 RFZRIOUKBSKCMD-JKSUJKDBSA-N 462.016 2.147 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1507915806 FJWVWJXKBXZVGF-OTWHNJEPSA-N 468.668 2.132 30 10 JEEE C=CCOc1ccc(Cn2c(-c3cnn(C)c3)nnc2N(CC)[C@H]2CCS(=O)(=O)C2)cc1 1508100916 RDIZBXSQWDNIEN-IBGZPJMESA-N 456.572 2.305 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)CCOC(C)(C)C 1508140117 KRUFMNICJWNFRH-UHFFFAOYSA-N 474.587 2.446 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N(C)C[C@@H]1CN(CC)c2ccccc2O1 1508141874 PNBJIQJHDRVNMM-WOJBJXKFSA-N 489.642 2.497 30 10 JEEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1CCCN1C[C@H](C)O[C@H](C)C1 1513975326 HMDYEYKIXOLPCI-LVCYWYKZSA-N 451.575 2.031 30 10 JEEE CCN1CCN([C@H](C)Cn2c(-c3ccc(OC)c(OC)c3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1515891123 DAYVKSVMJYNSKL-HOYKHHGWSA-N 471.581 2.430 30 10 JEEE CO[C@H]1COCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(C)C)C(=O)C1 1518637389 DOIASLYKFHAFBB-SFTDATJTSA-N 452.559 2.173 30 10 JEEE CS(=O)(=O)C1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](CC(N)=O)C2)CCCC1 1519503057 FGXKJMQFMQEDCI-GOSISDBHSA-N 470.599 2.266 30 10 JEEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 1521876625 YHINEUYXRLTTHN-OAHLLOKOSA-N 450.479 2.489 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCNc1ccc(C(F)(F)F)cn1 1538970299 BUXLADRPUWNDKP-UONOGXRCSA-N 473.525 2.262 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2C[C@](C)(OC)C2CC2)c1 1539046089 MUGREDJCJQDAFT-VWLOTQADSA-N 464.570 2.272 30 10 JEEE C#CCCCCn1c(N2CCN(c3nccc(OC)n3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1539087039 QMEOUHACRWQNBS-XMMPIXPASA-N 469.590 2.247 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](c2ccccc2)[C@@H]1C 1539125246 KMMYQFHEUPNNKL-TYPHKJRUSA-N 457.600 2.407 30 10 JEEE C#CCN(c1nnc(-c2ccccc2F)n1CCNC(=O)[C@@H](C)CCC)[C@@H]1CCS(=O)(=O)C1 1539212764 XUGXHAUJTIFSSH-ZWKOTPCHSA-N 475.590 2.263 30 10 JEEE C#CCN(c1nnc(C2CCCC2)n1Cc1ccc(NC(N)=O)cc1)[C@H]1CCS(=O)(=O)C1 1539220789 LSLAMLZAGOJOHE-IBGZPJMESA-N 456.572 2.101 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCC1(COC)CCC1)[C@H]1CCS(=O)(=O)C1 1539226023 SUJDPZJXKSQPDS-IBGZPJMESA-N 477.656 2.467 30 10 JEEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCC[C@H]1CCCN1C(=O)OC(C)(C)C 1539238541 AHJZVWSHCNVAGT-RBUKOAKNSA-N 492.646 2.141 30 10 JEEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1c(C)nn(-c2ccccc2)c1C 1539421782 YCLQLSCYNINSJK-UHFFFAOYSA-N 461.570 2.337 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)Nc1cccc(Cl)c1 1539516765 CDFNVLLSECCRQH-OAHLLOKOSA-N 482.031 2.275 30 10 JEEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](c2ccccc2C)C1 1539517456 OBPVGDHPXSRVNZ-CTNGQTDRSA-N 489.667 2.280 30 10 JEEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(c2cccnn2)CC1 1539706310 GFAKESLQIHKLTP-SFHVURJKSA-N 470.578 2.279 30 10 JEEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 1539977095 JWSMHKMOTOFAIH-UHFFFAOYSA-N 451.575 2.241 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1CCOCC1 1540121240 QCHPMJQWXLCVOR-QGZVFWFLSA-N 458.588 2.379 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Br)s3)n2CCCNS(C)(=O)=O)C1 1540885967 SBGCFPVFOQGBCP-ZDUSSCGKSA-N 490.449 2.490 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCN(C(=O)c2ccco2)CC1 1540906956 HWYRACNTGIZTQC-UHFFFAOYSA-N 461.588 2.167 30 10 JEEE CN(C)C(=O)Cn1c(CCCc2ccccc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1552736002 FOXBLOCFVJUAMD-UHFFFAOYSA-N 458.570 2.135 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@H]1NC(=O)CC1(C)C 1587620416 DLCDDVOAGWIHJL-QFBILLFUSA-N 461.570 2.438 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1588030329 SMQFXJOIRRASPB-HQRMLTQVSA-N 462.547 2.363 30 10 JEEE C#CCN(c1nnc([C@@H]2COc3ccccc3O2)n1CCOCC(=C)C)[C@H]1CCS(=O)(=O)C1 1588059428 NYRGWCXQCXUARI-RXVVDRJESA-N 472.567 2.010 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 1588224185 SBJORCKAOXZUSU-IBGZPJMESA-N 452.559 2.259 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCCCO2)n1CCN1CCCS1(=O)=O 1588550175 JUEXEUXBHVKILT-FQEVSTJZSA-N 461.563 2.334 30 10 JEEE C#CCN1CCN(c2nnc(C(C)C)n2C[C@@H]2C[C@H]3COC[C@H]3N2C(=O)OC(C)(C)C)CC1 1588741376 BRLNPNMIVFERGG-SLFFLAALSA-N 458.607 2.181 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCOc1ccc(Cl)cn1 1589150718 JLMSXNUSEGDVMY-IFXJQAMLSA-N 452.968 2.008 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCS(C)(=O)=O 1589663015 GHKWPYQLVNGJAC-INIZCTEOSA-N 457.597 2.034 30 10 JEEE C=CCN(CC=C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN1CCSCC1 1595204389 BYDOPCWKQSTMPX-UHFFFAOYSA-N 461.661 2.465 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1595488821 AWTMTJUXCUZSRZ-LJQANCHMSA-N 489.418 2.311 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CCN(C(=O)C(C)C)CC1 1595500807 FXCFGZMMSMXCKN-UHFFFAOYSA-N 481.420 2.376 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1595555653 GMBQZJITZJJLMN-UHFFFAOYSA-N 470.581 2.150 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCCS2(=O)=O)C1 1595745494 RZRZAVCCPBNWAB-NHCUHLMSSA-N 471.583 2.477 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 1595797432 GKVDJSNAQHKSPV-OAQYLSRUSA-N 487.626 2.012 30 10 JEEE C=CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2ncc(F)cn2)CC1 1595900892 MAAMRBHOWAUKTF-UHFFFAOYSA-N 488.618 2.445 30 10 JEEE CN(C)[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](C#N)C1)c1ccccc1Cl 1617642799 CBACLMOSBZGQRB-APWZRJJASA-N 457.966 2.086 30 10 JEEE COCCn1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](CNC(C)=O)C2)cn1 1619923968 HKOLZOMGKFDHGQ-HXUWFJFHSA-N 462.558 2.060 30 10 JEEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 1638451644 BSTGQAFWYLQCKG-MRXNPFEDSA-N 453.442 2.344 30 10 JEEE C#CCN([C@H]1CCOc2ccc(Br)cc21)S(=O)(=O)c1n[nH]cc1C(=O)OC 1660261113 PZWBCPLUZWQBIU-AWEZNQCLSA-N 454.302 2.107 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCNC(=O)C1CCC1 1689851366 PISQSBQOHBBMBQ-SFHVURJKSA-N 450.591 2.216 30 10 JEEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1CC[C@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1689980463 SKQCQMRRZQPEIW-BHIFYINESA-N 472.611 2.252 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(Cl)c2c(c1)OCCO2 1690046345 AZVLCMPUOLSHLF-QGZVFWFLSA-N 474.970 2.116 30 10 JEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](CC)NC(=O)OC(C)(C)C)CC1 1690132622 UESBJHGDYKDRBG-HXUWFJFHSA-N 470.622 2.198 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc4cccnc34)n2CCC(=O)NCCC)CC1 1690140131 MUBMABQHWFGGAC-UHFFFAOYSA-N 473.581 2.375 30 10 JEEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C(=O)NC)CC1 1690345851 FIYOSCZSDYRLJP-INIZCTEOSA-N 468.986 2.301 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2cccc(C(=O)NC)c2)CC1 1690410895 ANIIVTZXCDQVKJ-HXUWFJFHSA-N 457.600 2.185 30 10 JEEE C=CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1690626126 YQQMYLPNOSNVBQ-UHFFFAOYSA-N 451.575 2.078 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C)=C(Br)C1 1690714168 GRXXAVHQKDACNR-UHFFFAOYSA-N 495.403 2.405 30 10 JEEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C(C)C)C1 1690747097 SOMCBSQWENEVQY-QZTJIDSGSA-N 457.666 2.403 30 10 JEEE CC(C)(C)Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCCN1CCOCC1 1691176284 GMHVVSKGRBISPF-UHFFFAOYSA-N 452.607 2.182 30 10 JEEE CC(C)Oc1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCS(=O)(=O)CC2)cn1 1692588392 DHIBFJCHIMPRHJ-UHFFFAOYSA-N 452.540 2.282 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(COC(C)(C)C)c1 1705495086 KMAPKBCDBLOTIE-GHTZIAJQSA-N 489.642 2.432 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1CC(C)(C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 1705563677 CFEAGOQEXGIAGE-IBGZPJMESA-N 456.616 2.089 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@](C)(O)c1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 1705567001 SCZYWFOJLJCLSJ-DHJUGAMNSA-N 493.029 2.360 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(N(C)C)CCSC1 1705582982 NYNBENYBYCAWQB-YADARESESA-N 488.658 2.097 30 10 JEEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(c2ccccc2C)CCOCC1 1705604721 SGTFSBHVGIJUSW-IBGZPJMESA-N 459.616 2.405 30 10 JEEE C#CCSCCn1c(CC(C)C)nnc1N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 1705660787 GOHUZZIQZWTRBD-UHFFFAOYSA-N 471.656 2.235 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CCO)Cc1ccccc1 1705699889 MUQDAYWXEPFUQS-HBMCJLEFSA-N 460.600 2.160 30 10 JEEE C=C(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1705722618 BQCDBHPTNGUHDC-LJQANCHMSA-N 484.601 2.290 30 10 JEEE C=C(C)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCO[C@H](CNC(C)=O)C1 1705724408 MAAKIHJTLFEBJH-GOSISDBHSA-N 465.558 2.153 30 10 JEEE C=C(Cl)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1705755755 HGEKMMWAIKOWDH-ZDUSSCGKSA-N 462.892 2.432 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOC)[C@H](CC)C1 1705792043 LFJZKCXNCCZXGK-RBUKOAKNSA-N 453.653 2.330 30 10 JEEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1705812250 UXUUGBDVYDFMJQ-MRXNPFEDSA-N 464.592 2.027 30 10 JEEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1705822934 VXMYNWFOCNRCSP-JOCHJYFZSA-N 471.587 2.050 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)N2CCCC2)n1CC(=O)NCC(F)F 1705863059 GULSQKWSQZARQT-UHFFFAOYSA-N 450.465 2.227 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1705906798 PEJBVTLDEWXZCX-FQEVSTJZSA-N 454.575 2.129 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CC[C@@H](CN2CCOCC2)C1 1705933023 REHUTMQMUPTBLC-FQEVSTJZSA-N 459.616 2.013 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1705937359 RJUJVBIXCUMPOW-UHFFFAOYSA-N 487.626 2.280 30 10 JEEE CCCC(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2n[nH]c(C)n2)CC1 1709426828 GTPSFWYARRYTBU-UHFFFAOYSA-N 477.573 2.283 30 10 JEEE CCNC(=O)C(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCCN(c2ccccc2C#N)CC1 1710314191 BYCNLUXEGNDWCS-UHFFFAOYSA-N 492.628 2.151 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccnc(SCC)c2)CC1 1722443228 FEORLAYOTKMCAS-VWLOTQADSA-N 498.653 2.451 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCC(=O)NC)CC1 1722443690 ZHMNVHDOHKYEJH-UHFFFAOYSA-N 463.369 2.354 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2CCCN2CCCCC2=O)CC1 1722451181 ZVSYLMFZJFPQOE-UHFFFAOYSA-N 496.587 2.365 30 10 JEEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1722461268 AFASZEWRQGLEIO-UHFFFAOYSA-N 464.643 2.303 30 10 JEEE C=C(Br)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1722487300 LYNRDORADDUFML-SFHVURJKSA-N 465.377 2.037 30 10 JEEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1722535060 XVMBPVFWOZMUDN-UHFFFAOYSA-N 485.614 2.091 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(F)(F)CC1 1722707594 TYGJNAGQNGWJFI-LJQANCHMSA-N 497.568 2.460 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1722724633 BVRBTMIHWOHUHL-KRWDZBQOSA-N 463.579 2.494 30 10 JEEE CCn1nc(-c2nnc(N(C)[C@H](C)CC#N)n2CCN2CCSCC2)c2ccccc2c1=O 1728639590 CQHLVOZUICBFGZ-QGZVFWFLSA-N 466.615 2.462 30 10 JEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 1740709576 IWBNJEQECMVINJ-UHFFFAOYSA-N 468.631 2.121 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1740821627 HSDWPNDKLPLNAM-HNAYVOBHSA-N 462.016 2.005 30 10 JEEE C=CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN2C(=O)N(C)C[C@H]2C1)c1ccccc1 1740854084 LAAOGQHWCUGANP-UXHICEINSA-N 451.575 2.332 30 10 JEEE C=CCSCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CC[C@H](C(N)=O)C1 1741000985 ZUSGJRMRIMAJQC-INIZCTEOSA-N 467.599 2.467 30 10 JEEE C[C@@H]1COCCN1CCn1c(CC(C)(C)C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1743363983 FXQXWBGEUWZTRV-LJQANCHMSA-N 452.607 2.181 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1CC1(C(N)=O)CCOCC1 1748650151 YBMTWSCQZNGIHX-AWEZNQCLSA-N 476.375 2.456 30 10 JEEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1748702714 BIOFPUBLNDIHRJ-SFHVURJKSA-N 464.613 2.166 30 10 JEEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1=CCCCC1)[C@@H]1CCS(=O)(=O)C1 1748808546 KYBJZEPTJCNDJT-HXUWFJFHSA-N 488.635 2.476 30 10 JEEE C#CCN(c1nnc(-c2cccc3cccnc23)n1CCCNC(=O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1748809376 LXUWTYFAVPSHRN-HXUWFJFHSA-N 494.621 2.282 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccc(OC(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 1748812091 PPPBCZLMQHVBSB-HXUWFJFHSA-N 468.583 2.141 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CCc1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 1748819704 SAELCYNNZVTFQC-NRFANRHFSA-N 465.579 2.142 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CCc2ccccc2OC)CC1 1749017236 XZDAFRQRQVYYNU-UHFFFAOYSA-N 458.566 2.481 30 10 JEEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(=O)NCc2ccccc2)CC1 1749208801 FCVYLLKKWMKQMD-GMAHTHKFSA-N 468.602 2.017 30 10 JEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCC(=O)N2CCCCCC2)CC1 1749328649 ACSZWAASCBEWAF-QGZVFWFLSA-N 452.625 2.083 30 10 JEEE C=CCCOCCn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1749458260 XOPDSDPHZQWITI-UHFFFAOYSA-N 468.602 2.344 30 10 JEEE C=CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1(CS(C)(=O)=O)CC1 1749506809 ODNGDAIWOWYITH-IYBDPMFKSA-N 453.609 2.496 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2Cl)nnc1N(C)[C@@H](C)CC(N)=O 1749657732 BXYVMJQJJGEUHF-NSHDSACASA-N 469.771 2.363 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1749659226 YTYCRCCNJWKRDE-FQEVSTJZSA-N 495.447 2.372 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCc2cccc(Br)c2C1 1749663991 VAZISLQYKYBUHX-UHFFFAOYSA-N 456.348 2.306 30 10 JEEE CC(C)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCO[C@H]2C)CC1 1750902614 ABDPRKIUEFXOJZ-YADARESESA-N 454.575 2.189 30 10 JEEE C[C@@H]1CCCN(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCCN(S(C)(=O)=O)CC2)C1 1752173643 AIGZZMOWORWNBW-LJQANCHMSA-N 471.631 2.020 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCC1CCN(CC(F)(F)F)CC1 1760097156 ASWPLQKLIGSFHB-LSDHHAIUSA-N 464.558 2.011 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CNC(=O)c3cccs3)n2C[C@H](C)OC)c1 1760127827 NKFOJEDYMZYNKH-INIZCTEOSA-N 466.567 2.361 30 10 JEEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](Cn2cccn2)C1 1760132543 KLOKGEPMFAMRPP-FQEVSTJZSA-N 468.583 2.254 30 10 JEEE C#CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1760134851 AKADFLLFWQAWRM-JOCHJYFZSA-N 457.604 2.004 30 10 JEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 1760138369 XEWWTPJDLZVNAT-IRXDYDNUSA-N 462.576 2.068 30 10 JEEE C#CCN(c1nnc(C2CCCC2)n1CCS(=O)(=O)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1760188921 RCINTDAODYWJSO-OAQYLSRUSA-N 490.651 2.177 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1cccc(C(OC)OC)c1)[C@H]1CCS(=O)(=O)C1 1760188932 RIXWFDGDJUXHNQ-RTWAWAEBSA-N 488.610 2.139 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1c(F)cccc1SC)[C@@H]1CCS(=O)(=O)C1 1760190799 ZNNXJKZQXSWWAY-MRXNPFEDSA-N 474.587 2.215 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCN(c2ccccc2F)C1 1760209869 ISQSIRNVSFWPJI-RTBURBONSA-N 472.590 2.017 30 10 JEEE C#CCN(CC#CC)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCCS1(=O)=O 1760223340 FAAQOBIMVUPCGM-NRFANRHFSA-N 451.552 2.159 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccc(OCC=C)cc2)CC1 1760257426 WERJKVQSDBYCKJ-RUZDIDTESA-N 451.571 2.299 30 10 JEEE C=CCCOCCn1c(N2CC[C@@]3(CNC(=O)C3)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1760453302 RXENSVCGRCZNAG-NXMSCROESA-N 474.606 2.358 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCc2ccccc21 1760505251 PHYVWYWEFXHRKD-RBBKRZOGSA-N 489.642 2.370 30 10 JEEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@H](C)[C@H](C)C1 1760514888 IEYZMEHACGVFOK-JKSUJKDBSA-N 459.620 2.331 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCC(N2CCCNC2=O)CC1 1760526365 LYILLYPVWGZSAB-UHFFFAOYSA-N 481.601 2.160 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(OC)c(Cl)c2)C1 1760535809 XMDHYGGAJIBTBX-HOCLYGCPSA-N 469.995 2.380 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Br)nnc1N1CCO[C@H](COC)C1 1760553061 KKKAAFUEMKTWOR-HNNXBMFYSA-N 485.404 2.160 30 10 JEEE CC[C@@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ncc(F)cn2)CC1 1762033766 CLLMAXXSCQJBNL-QGZVFWFLSA-N 477.548 2.377 30 10 JEEE CCC(O)(CC)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1762406211 GQILGQSEUYHODF-UHFFFAOYSA-N 465.602 2.112 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCc1nnc2n1CCCCC2 1764127070 AEEVIDOETAUQED-QFIPXVFZSA-N 457.558 2.199 30 10 JEEE CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@](C)(O)c1ccc(F)cc1 1766397559 BADMCVGXHJWFFV-DEOSSOPVSA-N 482.564 2.102 30 10 JEEE CN(C(=O)c1cccc(C#N)c1)c1ccc(NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)cn1 1858271128 XUUBITFVBZBKDB-UHFFFAOYSA-N 463.475 2.476 30 10 JEEE CCCCCCCCNC(=O)[C@@H](CCC(N)=O)NC(=O)c1cc(C)ccc1S(C)(=O)=O 1861002900 VJSYEESITGSYLB-GOSISDBHSA-N 453.605 2.239 30 10 JEEE C=CCN(CC=C)c1nc(NC(=O)C2=Cc3ccccc3OC2)n([C@H]2CCS(=O)(=O)C2)n1 1870004668 HHRUFALENROUCM-SFHVURJKSA-N 455.540 2.231 30 10 JEEE C=CCN(CC=C)c1nc(NC(=O)CCc2cccc(NC(C)=O)c2)n([C@@H]2CCS(=O)(=O)C2)n1 1870005116 XNLYHCQJXMHYEC-HXUWFJFHSA-N 486.598 2.346 30 10 JEEE CCOc1cc(/C=N/n2c(SCC(=O)OC)nnc2[C@H]2CC(=O)N(C(C)C)C2)ccc1O 1874338064 RTLHJVTULQTTPJ-GTQIFZCBSA-N 461.544 2.254 30 10 JEEE CCCN(CCC)C(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1cccc([N+](=O)[O-])c1 1874435007 IYNKJKILGCYAIL-WSDLNYQXSA-N 461.548 2.445 30 10 JEEE CCN1CCN(CC#CCOC2CCN(C(=O)COCc3nc4ccccc4s3)CC2)CC1 1890498993 UXZVKVDFNAQSMC-UHFFFAOYSA-N 470.639 2.461 30 10 JEEE COCCn1c(C(=O)N2CCC[C@@H](COc3cc(C#N)ccn3)C2)cc2c(=O)n3ccccc3nc21 1891678192 LFKQUXDJXZDWBP-LJQANCHMSA-N 486.532 2.493 30 10 JEEE 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(C)(C)C 2080929546 HXGHTSDXWQXJSF-HRCADAONSA-N 454.568 2.258 30 10 JEEE COc1ccc(CN=C(NC[C@H]2COCCO2)N2CCN([C@@H](C)c3ccccn3)CC2)cc1 2087917988 LZWGGGZJSKLHIT-REWPJTCUSA-N 453.587 2.330 30 10 JEEE C[C@@H](CNC(=O)OC(C)(C)C)NS(=O)(=O)c1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2255796764 WKADSGXMFRVRIG-ZDUSSCGKSA-N 458.361 2.316 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@H](NC(=O)c2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2255801007 IVBPYPMGKOLRRC-HUUCEWRRSA-N 452.382 2.147 30 10 JEEE CC(C)(C)OC(=O)N1CC([C@@H](F)CNC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)C1 2255841295 ZUQCKKQWIQHSCG-AWEZNQCLSA-N 455.361 2.377 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)s2)O1 2256627765 CESNRMMMYUCGLB-CHWSQXEVSA-N 453.370 2.453 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)sc1CNC(=O)C1(NC(=O)OC(C)(C)C)COC1 2256673687 VDAWPZDDECMAEY-UHFFFAOYSA-N 452.382 2.266 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N=[S@@](C)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 2266492710 PNWLJKOUKNTXQH-OJTCLSNNSA-N 484.619 2.385 30 10 JEEE CCc1nn(C)c(C(=O)NCCCN(C)C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267146804 MUADGEVULKEOEQ-UHFFFAOYSA-N 450.389 2.269 30 10 JEEE CCO[C@@H]1C[C@H](NC(=O)OC(C)(C)C)[C@@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)o1 2267558400 BLXGEJLXHVYVBI-LXZKKBNFSA-N 450.341 2.379 30 10 JEEE COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1NC(=O)C[C@H](O)CNC(=O)OC(C)(C)C 2268633785 UNNNCQWUKHQBNT-HNNXBMFYSA-N 450.341 2.209 30 10 JEEE C[C@H](NC(=O)[C@@H]1OCC[C@H]1NC(=O)OC(C)(C)C)c1nscc1B1OC(C)(C)C(C)(C)O1 2268634156 GTTZHOKRJKVULM-JGGQBBKZSA-N 467.397 2.302 30 10 JEEE CN(C(=O)OC(C)(C)C)[C@]1(C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)CCOC1 2268643002 IPUQSQXGWUGSSL-OAQYLSRUSA-N 467.397 2.085 30 10 JEEE COc1ccc(NC(=O)[C@@H](CNC(=O)OC(C)(C)C)OC)c(B2OC(C)(C)C(C)(C)O2)c1 2268664728 XCSNUNRGNRVUAD-QGZVFWFLSA-N 450.341 2.473 30 10 JEEE Cn1cc(C(=O)N2CC[C@@H]3CN(Cc4ccccc4)C[C@H]3C2)nc1B1OC(C)(C)C(C)(C)O1 2282044874 XEMYVTCMAJNFAW-UXHICEINSA-N 450.392 2.313 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H]2CN(C(=O)c3ncncc3B3OC(C)(C)C(C)(C)O3)C[C@H]2C1 2282170948 DITAXUDEHICLKL-JKSUJKDBSA-N 458.368 2.105 30 10 JEEE CC[C@]1(NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CCCN(C(=O)OCc2ccccc2)C1 2282176849 WNNQOINSPMKADU-VWLOTQADSA-N 497.405 2.426 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC2(CCC[C@H]2NC(=O)OC(C)(C)C)C1 2282533305 JMHTWOITBIGEFV-MRXNPFEDSA-N 460.384 2.239 30 10 JEEE Cc1c(C(=O)N2CC(C3(NC(=O)OC(C)(C)C)CC3)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282592677 GTKFKHPKIKTBRY-UHFFFAOYSA-N 460.384 2.157 30 10 JEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2283926692 RAOVJYJWYUGJPE-LSDHHAIUSA-N 481.424 2.331 30 10 JEEE COC[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)N(C(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)C1 2289524069 MGAJSMXQIHZYBV-GJZGRUSLSA-N 481.424 2.444 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)NCCc1c(F)cccc1B1OC(C)(C)C(C)(C)O1 2289652909 AICNQIRBVIJPRQ-KBXCAEBGSA-N 466.359 2.058 30 10 JEEE CN(C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)[C@H]1CN(C(=O)OC(C)(C)C)CC1(C)C 2289939730 OWIMHALBDAMOFI-INIZCTEOSA-N 460.384 2.493 30 10 JEEE CC(C)(C)OC(=O)N1CC(c2nc(=NC(=O)c3sncc3B3OC(C)(C)C(C)(C)O3)s[nH]2)C1 2296456885 LFPJNPITUCADCX-UHFFFAOYSA-N 493.420 2.302 30 10 JEEE COc1ccc(C(O)=C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccco2)cc1OC 2296928137 SNKZXFXJFFZFLG-NRFANRHFSA-N 456.495 2.441 30 10 JEEE COc1ccc(C=C2SC(=S)N(CC(=O)c3c(C)c(C#N)c(=O)n(C)c3O)C2=O)cc1 2314625258 UHMSLKPTFMUUNH-UHFFFAOYSA-N 455.517 2.364 30 10 JEEE C=CC1(N[C@]2(C(=O)O)C[C@H](OC)CN(C(=O)OC(C)(C)C)C2)CN(C(=O)OC(C)(C)C)C1 2325157614 YWQVYIIGSGYPJB-OYHNWAKOSA-N 455.552 2.231 30 10 JEEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@@H](NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)[C@@H]2F 2359265687 ICGPMIAEAGDPBG-OJLVUWQFSA-N 464.347 2.317 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C 2362350491 SLKILJYGPBHITG-LSDHHAIUSA-N 462.400 2.389 30 10 JEEE Nn1c(N/N=C/c2cc([N+](=O)[O-])ccc2O)nnc1SCC(=O)Nc1c(F)cccc1F 20527415 AFRBPNFEBLHEAC-QPSGOUHRSA-N 464.414 2.061 30 10 JEEE COc1ccccc1[C@H]1/C(=C(/O)c2c(C)nc3ccccn23)C(=O)C(=O)N1CCN1CCOCC1 102533276 KQVYSCBXKYJFHF-HHUUSFLGSA-N 476.533 2.405 30 10 JEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2csc(Br)c2)c(=O)n1-c1ccccc1C#N 604003023 WJFLOBHZMYRNQN-UHFFFAOYSA-N 497.399 2.400 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCN(c3nc(F)c(F)cc3F)CC2)ccc1F 1128036265 JFUWFJSCPXTXGS-UHFFFAOYSA-N 458.437 2.065 30 10 JEEE C#C[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1)[C@H]1CCCO1 1128169481 BNKREXJOMXCNSM-FHLIZLRMSA-N 455.374 2.147 30 10 JEEE N#Cc1cn(CC(=O)Nc2ncc(Cc3ccc(OC(F)(F)F)cc3)s2)c(=O)nc1O 1136308372 DELCWCAEDSEOOY-UHFFFAOYSA-N 451.386 2.405 30 10 JEEE C[C@H]1CN(c2ccc(NC(=O)C[C@@H](C)/N=C3/NS(=O)(=O)c4ccccc43)cn2)C[C@H](C)O1 1156491885 BXFPOEGJTWMBCH-PMPSAXMXSA-N 457.556 2.151 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc(F)c(N3CCCNC3=O)c2)s1 1160599819 OLFQFJGGQNPINI-UHFFFAOYSA-N 452.533 2.452 30 10 JEEE C=CCCN(OCc1ccccc1)S(=O)(=O)c1ccc(OC)c([C@@]2(C)NC(=O)NC2=O)c1 1189383327 LBIQTHGGFGDRQR-JOCHJYFZSA-N 459.524 2.448 30 10 JEEE C#CCCCn1c(N2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)nnc1[C@]1(OC(C)C)CCOC1 1286359894 MKFBNDDPMDYBPU-NVQXNPDNSA-N 486.661 2.255 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1286387632 HDOHZONUVFXRIP-AWEZNQCLSA-N 458.462 2.151 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCN(CC(F)(F)F)C1 1286461404 XTQBJOZCMSXMLE-KRWDZBQOSA-N 499.559 2.319 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H]2CCCn3cc(C)nc32)CC1 1286469453 GETYGBCRQCEBKK-LJQANCHMSA-N 452.607 2.034 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@]2(O)CCC[C@H]2C)CC1 1286494756 QVGQXTJPQLSJGQ-MWTRTKDXSA-N 456.616 2.151 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(OC)c2)nnc1N(C)CC(=O)N1CCOCC1 1286554206 SWKQZQBXUXATKQ-SIKLNZKXSA-N 455.559 2.230 30 10 JEEE C=C(Cl)Cn1c(-c2cnn(C)c2)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 1286626737 HXFPQUWLPRVZGC-UHFFFAOYSA-N 461.979 2.332 30 10 JEEE C=C(Cl)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(c2cccnn2)CC1 1286630981 XNPMTWNLNUIVDM-QGZVFWFLSA-N 490.996 2.456 30 10 JEEE C=C1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCOCCOC)CC1 1286646946 YHLHPELWNIQODO-SFHVURJKSA-N 451.568 2.406 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCCc3cccnc32)C1 1286800847 RQBLASFIKIXJQA-QXAKKESOSA-N 460.604 2.185 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 1286817586 UVROJPKKOLTPDI-SFHVURJKSA-N 474.631 2.320 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@@H](C)C[C@@H]1CC 1286819556 NXPVFDMBFNSSMC-IRXDYDNUSA-N 470.599 2.418 30 10 JEEE C[C@@H](CCNC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21)N(C)C(=O)OC(C)(C)C 1293239957 CFRNQEDFJRZOGR-CABCVRRESA-N 452.577 2.265 30 10 JEEE CCN1CCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1296059506 HNAYEEVCFMQATH-LAUBAEHRSA-N 471.631 2.413 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H]1CCCCS1(=O)=O 1300304402 NOVHCBUTXLBSIO-DLBZAZTESA-N 468.583 2.100 30 10 JEEE C#CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CCCCS1(=O)=O 1300458100 MVDDAICCVASJIQ-ZWKOTPCHSA-N 465.620 2.429 30 10 JEEE C#CCN(c1nnc(CSc2ccc(C)cc2)n1C[C@]1(O)CCO[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1300504714 QZIIFIPKMYJXRE-DNVFCKCGSA-N 490.651 2.045 30 10 JEEE C#CCN1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CCNC(=O)c2cc[nH]n2)CC1 1300710077 RCGXLUHBOVFCQW-UHFFFAOYSA-N 485.017 2.132 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1300733399 VJBJYTICMMTDIT-QHCPKHFHSA-N 452.584 2.230 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCOC2)n1CCN1CCN(C(C)=O)CC1 1301338954 APJDOBBDSBECLV-HSZRJFAPSA-N 463.586 2.010 30 10 JEEE C=CCn1c(CSc2ccccc2OC)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1301472751 JFUWCFVHWPFKSW-SFHVURJKSA-N 493.655 2.396 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OCC)CC1 1301531726 VSJAPPQMZFCHKU-IBGZPJMESA-N 489.598 2.072 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@H](c2noc(C)n2)C1 1301575301 DJYYMLBWUULOGR-KRWDZBQOSA-N 478.962 2.469 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC(C#N)CC1 1301584845 FERVRTFTFOVJRM-UHFFFAOYSA-N 481.582 2.016 30 10 JEEE COCCN(CCC#N)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1ccc(OC)nc1 1301806446 HFNCNWGHUDCQKO-UHFFFAOYSA-N 460.498 2.412 30 10 JEEE CCc1nc(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C)C(=O)C2)cs1 1306023848 HDUGEQPJHBPISP-UHFFFAOYSA-N 451.556 2.269 30 10 JEEE CCNC(=O)C(C)(C)Cn1c(CC2CCCC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1313972303 ACRYAOIISWFXQT-UHFFFAOYSA-N 481.649 2.413 30 10 JEEE COCC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCC[C@@H]2C)CC1 1315753775 CARIRBVJRSWEST-SFHVURJKSA-N 451.575 2.032 30 10 JEEE C#CCN(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1CCN1CCCS1(=O)=O 1358943181 YSHWLNPAOXAUAS-UHFFFAOYSA-N 455.540 2.222 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCCOC1)[C@@H]1CCS(=O)(=O)C1 1358956948 MYDFHSBPSWLYFX-GDBMZVCRSA-N 482.404 2.089 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H](OC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1358959629 MOTRKBIPOMBSOO-NQIIRXRSSA-N 474.583 2.014 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1Cc1cccc(CN2CCO[C@@H](C)C2)c1 1358991684 KYXNVHLMYBGYEC-NRFANRHFSA-N 455.566 2.467 30 10 JEEE C#CCSCCn1c(-c2cc(Br)cn2C)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1359050548 ULKSBCSHWCJISF-UKRRQHHQSA-N 463.405 2.127 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCOC1CCCCC1 1359070372 LOZKSJUFOQSMQO-NZQKXSOJSA-N 479.647 2.343 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC[C@H](CNC(=O)Nc2ccc(C)cc2)C1 1359301041 QFVPBWQGLCBWST-UXHICEINSA-N 481.601 2.431 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1359305096 SSBXINYTQVSMQG-UHFFFAOYSA-N 483.617 2.352 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@]2(CCSC2)C1 1359334607 LJTRBIVEKURFIX-FQEVSTJZSA-N 450.634 2.074 30 10 JEEE C#CCN(C(=O)c1cc(=O)n(-c2nc(C)cc(C)n2)[nH]1)C1CCN(C(=O)OC(C)(C)C)CC1 1471882133 JAVIHVUOGWTHCO-UHFFFAOYSA-N 454.531 2.047 30 10 JEEE COCC[S@](=O)Cc1cccc(NC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c1 1476161684 FZWPZUZROXHEKY-OERWEXPNSA-N 450.561 2.462 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCN1CCCCC1=O 1507520410 CKLXNIOOBVNUTH-GOSISDBHSA-N 472.615 2.056 30 10 JEEE C#CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(CC(F)F)CC1 1507561238 SAFVNEHLTHSDLT-UHFFFAOYSA-N 465.574 2.429 30 10 JEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc(C[S@@](C)=O)cc1 1507607721 CDQMQQMTAIGXSJ-JGCGQSQUSA-N 470.624 2.234 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1CCc1cc(F)cc(F)c1)[C@H]1CCS(=O)(=O)C1 1507627004 BZTVNEYYKHWEFT-IBGZPJMESA-N 457.506 2.488 30 10 JEEE C#CCN(c1nnc(-c2cc(C)nc3ccccc23)n1C[C@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1507627660 SYSSPMORWNAMMS-OALUTQOASA-N 466.611 2.379 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1CCc1sc(C)nc1C)[C@H]1CCS(=O)(=O)C1 1507629956 RTPCOGKATMLDAO-KRWDZBQOSA-N 456.597 2.283 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@H](C)c1nccs1)[C@H]1CCS(=O)(=O)C1 1507640169 PYKZMPUKOXWNSI-QAPCUYQASA-N 473.628 2.027 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCN(CCc2ccccc2)C1 1507668769 CQLSQGZKIJZMFY-DNQXCXABSA-N 479.650 2.208 30 10 JEEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1(C(N)=O)CCCC1 1507681489 VMHDSEUQGABDFL-UHFFFAOYSA-N 457.604 2.052 30 10 JEEE C=C(C)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCN(CC(=O)NCCOC)CC1 1507826861 GIYKXYTVAQVVLN-UHFFFAOYSA-N 491.434 2.477 30 10 JEEE C=CCCCn1c(-c2cccc(C)n2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1507945993 NLIGBWVQFKSCLI-UHFFFAOYSA-N 457.560 2.255 30 10 JEEE C=CCCOCCn1c(-c2ccccc2C)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1507959671 GVTXDLDRXQYEDX-UHFFFAOYSA-N 454.575 2.420 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1CCCN1CCC(O)CC1 1507997370 RUKAVNKZCPDVPY-UHFFFAOYSA-N 477.613 2.425 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1508093807 KFDZGBPLWBGVCB-HKUYNNGSSA-N 473.599 2.265 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCS[C@@H](C)[C@H]1C 1508136509 SNOCRMHCLALWOR-CVEARBPZSA-N 484.669 2.280 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)CC1CC(F)C1 1508140907 RCBQLCVRFVRUDK-UHFFFAOYSA-N 460.535 2.379 30 10 JEEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2nccnc2C)CC1 1508148210 PWFJERXWPNSZHJ-UHFFFAOYSA-N 465.587 2.270 30 10 JEEE C[C@](O)(Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](C#N)C1)c1cccs1 1510231223 AWNYEQNNWURTIQ-IERDGZPVSA-N 473.580 2.047 30 10 JEEE CN(C)S(=O)(=O)CCn1c(-c2ccc(Br)s2)nnc1N1CCC(C#N)CC1 1517021644 DXPQAJKQZYMOTF-UHFFFAOYSA-N 473.422 2.400 30 10 JEEE C=C[C@@H]1OCCC[C@H]1NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1I 1533648799 DDOWKPPEUOAEAL-CABCVRRESA-N 464.325 2.005 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2Cc2ccc(OC)nc2OC)c1 1539039420 CFMFBRRPUCIEKG-UHFFFAOYSA-N 484.520 2.252 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CC2(OC)CCCC2)c1 1539043850 VJAYTMAHZXIMFV-LJQANCHMSA-N 450.543 2.245 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2C[C@@](C)(OC)C2CC2)c1 1539046088 MUGREDJCJQDAFT-RUZDIDTESA-N 464.570 2.272 30 10 JEEE C#CCCCCn1c(C2CC2)nnc1N1C[C@@H]2[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1539068319 STOAFUJNHXFBSA-FGTMMUONSA-N 463.604 2.086 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1CC(C)(C)OCC)[C@@H]1CCS(=O)(=O)C1 1539205443 IPDPPYYSLSUXKE-GOSISDBHSA-N 476.599 2.404 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1cc(OC)ccc1OC)[C@H]1CCS(=O)(=O)C1 1539210423 DYYXCIAAOLTTKW-SFHVURJKSA-N 467.551 2.032 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1cccc(C(=O)N[C@H](C)CC)c1)[C@@H]1CCS(=O)(=O)C1 1539216755 WSQSYLGNZYJKMD-WIYYLYMNSA-N 494.621 2.477 30 10 JEEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc(Br)cc1 1539343693 PFYGTHYMFGFZEQ-AWEZNQCLSA-N 454.394 2.353 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC1CCS(=O)(=O)CC1 1539396266 NEPXHDBGPYVEHB-UHFFFAOYSA-N 473.599 2.058 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2CCNC(=O)c2ccc(C)c(F)c2)CC1 1539446539 FMIUSYUOMYZFOD-NRFANRHFSA-N 454.550 2.152 30 10 JEEE C=CC[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(OCC(N)=O)CC1)c1ccccc1 1539947219 HWEPXWWSTDTOTG-UXHICEINSA-N 487.626 2.011 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1540874470 HTCWRGZFEROEBR-FQEVSTJZSA-N 468.602 2.469 30 10 JEEE CC(C)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)CCS1 1541401617 FDMGAYIVVOSGGR-LJQANCHMSA-N 478.644 2.198 30 10 JEEE C=CCn1c(S)nnc1Cc1csc(NC(=O)Cc2c(Br)cnn2C)n1 1542721206 BSGOQDJQAKQXJG-UHFFFAOYSA-N 454.379 2.477 30 10 JEEE CC[C@@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC1CCN(C(C)=O)CC1 1545545921 HCXSAXGDUFPGEK-QZTJIDSGSA-N 465.606 2.427 30 10 JEEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCCN(C(C)(C)C)CC1 1552379290 FKNQCUOJLXJISI-UHFFFAOYSA-N 459.620 2.067 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCc3c(F)ccc(C(=O)OC)c3C2)s1 1557506556 QPPUGXYFUHTDOR-UHFFFAOYSA-N 452.529 2.266 30 10 JEEE C#CCN([C@H]1CCOc2ccc(Br)cc21)S(=O)(=O)c1cc(C(N)=O)n(C)c1 1561260840 OSDHOCHJTGVXOC-HNNXBMFYSA-N 452.330 2.034 30 10 JEEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc(C(=O)OC)c(C(F)(F)F)c2)n1 1561531747 QECBFXPMCSSGTH-UHFFFAOYSA-N 459.446 2.159 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OCC)CCOC3)n2CC[C@H]2CCOC2)c1 1587689638 OAWSALRXXLSNSW-CPJSRVTESA-N 467.570 2.413 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1Cc1ccc(OC)c(F)c1)[C@H]1CCS(=O)(=O)C1 1588030696 ZUBZHZIVKUFLRS-SFHVURJKSA-N 491.589 2.019 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CCCO[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1588040090 ICCUTRAEFJYHBN-PMACEKPBSA-N 479.002 2.421 30 10 JEEE C#CCN(c1nnc(-c2ccc(Br)s2)n1CCCOC)[C@@H]1CCS(=O)(=O)C1 1588040960 STQMWIPENDNJTJ-CYBMUJFWSA-N 473.418 2.432 30 10 JEEE C=C(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)CC1COC(C)(C)OC1)c1ccccc1 1593781999 DFEGXXCYDVNPKT-QGZVFWFLSA-N 463.604 2.437 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@H](C(=O)NCCCC)C1 1595516898 LKZDAMAZKXDHDU-SFHVURJKSA-N 468.558 2.109 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N(C)CC1CN(C(=O)OCc2ccccc2)C1 1595523029 NFCSIVLZKLYMOH-UHFFFAOYSA-N 475.553 2.347 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C(F)(F)F)C1 1595649207 MYRGMPPMAWLGLU-RHSMWYFYSA-N 489.520 2.269 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2C[C@@](C)(O)C(C)C)C1 1595713866 GPYWRUYVDAGZOB-HTAPYJJXSA-N 462.620 2.427 30 10 JEEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2cccc(S(=O)(=O)N[C@@H](C)CC)c2)cc1 1631063718 XSJFKOWRLDUDKQ-HNNXBMFYSA-N 451.570 2.480 30 10 JEEE N#Cc1ccc(C(F)(F)F)n(CC(=O)N(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)c1=O 1652170445 DJEHOAOQBDXJOM-ZDUSSCGKSA-N 459.471 2.016 30 10 JEEE C=CCS(=O)(=O)CCNC(=O)Nc1ccc(OCCN2C(=O)c3ccccc3C2=O)cc1 1676482170 QERZZFHGCNQRCX-UHFFFAOYSA-N 457.508 2.084 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1689840257 WHBLMVRSIAKPOG-HUUCEWRRSA-N 451.980 2.347 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CCC(=O)N1CCOCC1 1689841204 AYVRAFDNBIMCIF-OAHLLOKOSA-N 476.375 2.423 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@H](C)CNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1689989636 HLILLBHCLDNIKL-QYZOEREBSA-N 495.646 2.307 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1cccc(C(F)F)c1)[C@@H]1CCS(=O)(=O)C1 1689990138 MBFSPNIQBNQKDD-QZTJIDSGSA-N 450.511 2.395 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@](C)(O)[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1689992387 KHJVMUQOKXDPKV-WGGBDISSSA-N 462.591 2.432 30 10 JEEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1690179257 SHKSHKXNGZGRHV-NRFANRHFSA-N 451.600 2.349 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2csc(CC)n2)CC1 1690375996 ZQGQZAHFVXBUFA-QGZVFWFLSA-N 466.633 2.029 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1C[C@H]1C 1690560551 WFWUOKITAODZJL-UIFIKXQLSA-N 470.599 2.331 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1690660914 QVNWUJUEUOZXJU-IFMALSPDSA-N 496.612 2.165 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(CC(=O)N(C)C)CC1 1690662168 SXLHNUFJKQZBPP-UHFFFAOYSA-N 478.395 2.033 30 10 JEEE C=CCNC(=O)Cn1c(N(CC)Cc2cnn(C)c2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1690676817 FLAPPIYFDUPUCR-HDICACEKSA-N 472.594 2.111 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CC[C@H](CN2CCOCC2)C1 1690720589 NCAZPBMKOSWAPU-GOSISDBHSA-N 480.034 2.358 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H]1[C@H]2CCC[C@H]21 1690724288 LMZIPKUQOAFYGT-HCXYKTFWSA-N 495.646 2.422 30 10 JEEE C[C@@H](c1nccs1)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(C)(=O)=O)CC1 1692663049 CMNLBIPLBNNYTH-INIZCTEOSA-N 471.612 2.201 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@H]1CCCC1(C)C 1692793330 BDXDPWPRMDHOLT-MJGOQNOKSA-N 486.646 2.308 30 10 JEEE Cc1ccc(C(=O)NCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@@](C)(C#N)C2)cc1F 1693012788 FBOCHQWGVZWCHZ-MBSDFSHPSA-N 488.589 2.188 30 10 JEEE CCc1nn(C)c(OC)c1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)C[C@@H](C)C#N 1694608995 BSLIWJDZPAMPSD-HNNXBMFYSA-N 471.587 2.297 30 10 JEEE CCN(CCn1c(C(=O)NC(C)C)nnc1N1CCN(c2cccc(F)c2C#N)CC1)C1CC1 1695739899 FRAKRPMSGPXLQT-UHFFFAOYSA-N 468.581 2.238 30 10 JEEE CN(Cc1ccccn1)c1nnc(COc2ccc(C#N)cc2)n1Cc1ccc(C(N)=O)nc1 1696704029 CKLXSCGWYWMJMB-UHFFFAOYSA-N 454.494 2.302 30 10 JEEE C#CCN(c1nnc([C@H](C)OCCOC)n1CC12CCC(CC1)C2)[C@@H]1CCS(=O)(=O)C1 1705561668 VSGIJVDLHVROIC-NHFHJCFSSA-N 450.605 2.209 30 10 JEEE C#CCN(c1nnc(-c2ccc(OCC)c(OC)c2)n1CCn1cc(C)cn1)[C@@H]1CCS(=O)(=O)C1 1705562794 KLETWOHHDCUNRH-HXUWFJFHSA-N 498.609 2.184 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCN(CC)CCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1705566768 PZOXJJHEJNNFFO-ZWKOTPCHSA-N 491.580 2.073 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1CCCN1CC)[C@@H]1CCS(=O)(=O)C1 1705569990 JDVIZOYDNVOXQL-LEWJYISDSA-N 459.591 2.119 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCSCc1ccccc1F 1705844195 XOVLWCKIICMQGI-SFHVURJKSA-N 469.608 2.306 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1705896758 XDYJMDTXQCHJEC-CQSZACIVSA-N 467.452 2.228 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2CC2CCN(C(C)=O)CC2)c1 1722310037 RJZCNRTWRHPDEO-QFIPXVFZSA-N 478.597 2.487 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1ccnc(SCC)c1)[C@H]1CCS(=O)(=O)C1 1722365555 FOOUDVCGBNULEJ-OALUTQOASA-N 475.640 2.354 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(F)cc2Br)n1CC(=O)NCC=C 1722424067 ZTCGQXOHCHTQDL-UHFFFAOYSA-N 450.312 2.235 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCc2ccc(OC)c(OC)c2OC)CC1 1722447955 RJZCYQWCYAVESF-FQEVSTJZSA-N 497.596 2.016 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2C[C@@]2(O)CCC[C@H]2C)CC1 1722449721 OQWVHYOINKIPIV-IBVKSMDESA-N 465.598 2.417 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(Cc2ccc(F)cc2)CC1 1722459279 HEWGQBLUAFRFQE-FQEVSTJZSA-N 491.658 2.398 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(O)cc1 1722677309 ZTOXGKJQBXFEDC-NRFANRHFSA-N 487.582 2.193 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1722694086 KXPYUKOTXHIUPQ-LJQANCHMSA-N 451.575 2.101 30 10 JEEE COc1cc(OC)c(CCn2c(Cc3cccnc3)nnc2N2CCO[C@H](C#N)C2)c(OC)c1 1730008452 HDRSAXFXYRKRFU-LJQANCHMSA-N 464.526 2.261 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCCN1CCOCC1 1740552667 OSFKKOKLSPSHES-FQEVSTJZSA-N 452.607 2.022 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1Cc1ccccc1 1740592041 SLHRULVAYNMTCX-LEWJYISDSA-N 457.600 2.236 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1740620387 WESLDJIVKSCFTH-NSHDSACASA-N 466.283 2.225 30 10 JEEE C#CCN(c1nnc(Cn2ccc3ccccc32)n1C[C@@](C)(O)CCC)[C@@H]1CCS(=O)(=O)C1 1740625904 TZOGPTHJSDDKGW-YKSBVNFPSA-N 469.611 2.459 30 10 JEEE C#CCN(CC#CC)c1nnc(Cc2ccccn2)n1CC(=O)N1CCN(c2ccccc2)CC1 1740654065 BZZAGOHPPPOBBJ-UHFFFAOYSA-N 467.577 2.076 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(C)c(Br)c2)n1Cc1cn(C2COC2)nn1 1740682262 PFITURMZOQBHDP-UHFFFAOYSA-N 486.374 2.313 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(C#N)o1 1740686095 OHHHABIUVXRNDD-LJQANCHMSA-N 470.530 2.185 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@@H](C)N2CCN(CC)CC2)CC1 1740690879 PLQMUEPPLVRXTR-FGZHOGPDSA-N 483.636 2.338 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2C[C@H](C(CC)CC)N(C)C)CC1 1740692000 FTRLNBMQEJMDHO-HSZRJFAPSA-N 476.633 2.042 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccc(N(C)C)cc2C)CC1 1740692558 LPOHQKWRISTGLA-RUZDIDTESA-N 452.603 2.108 30 10 JEEE C=CC1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@]2(C)COCCO2)CC1 1740835801 PBNQFOLWZFHWRV-HSZRJFAPSA-N 475.615 2.403 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1740850280 FCSJQMGRBXKERB-CABCVRRESA-N 477.553 2.287 30 10 JEEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)OCC(C)C)CC1 1741006155 ZKDIGIIHSKFLKB-UHFFFAOYSA-N 450.609 2.234 30 10 JEEE CC(=O)N1CCN(c2nnc(-c3ccccc3Cl)n2CCN/C(O)=C2\N=CC=CC2=O)[C@H](C)C1 1741046367 IOXMNWQNENEJGE-MESBPSPMSA-N 483.960 2.182 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1CCS(=O)(=O)N(C)C 1748654448 INZLHWZJNNBQSY-CQSZACIVSA-N 454.394 2.365 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCS(=O)(=O)CC=C 1748670876 DEKNHXQXJUHBJL-QGZVFWFLSA-N 465.620 2.451 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(NC(C)=O)nc1 1748671900 OAZDCDDOQLEVCG-LPHOPBHVSA-N 483.573 2.446 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2CCN2CCOCC2(C)C)c1 1748695105 XBIQBOLRFHEPHU-UHFFFAOYSA-N 487.608 2.431 30 10 JEEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1748752107 RVUBLKPIWDYOHO-QYZOEREBSA-N 472.590 2.247 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCCN(C)CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1748809454 SPTGZZRRNAARRN-SFHVURJKSA-N 499.559 2.465 30 10 JEEE C#CCN(c1nnc(COc2ccccc2OCC)n1CC1(O)CCCC1)[C@H]1CCS(=O)(=O)C1 1748824345 OLJLWELNTHNTCV-IBGZPJMESA-N 488.610 2.188 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1748918687 NGXNAADVCLWVDT-RTWAWAEBSA-N 452.584 2.480 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1NC(=O)CC1(C)C 1748970952 YFCMNDMYXFMOKT-FGTMMUONSA-N 474.606 2.050 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2Cc2ccc(OC)nc2)CC1 1749018997 HZPJBTXWMFKDDV-UHFFFAOYSA-N 478.528 2.414 30 10 JEEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 1749040289 SNIKIGVIDFWANU-UHFFFAOYSA-N 475.622 2.391 30 10 JEEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1749408772 LIPXSDUZJQAYCJ-UHFFFAOYSA-N 451.535 2.295 30 10 JEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 1749456991 CULGHGJGQDPRHK-RBUKOAKNSA-N 481.663 2.152 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CN(Cc3ccccc3)CCCO2)C1 1749693649 LCSNDDSCDRBBAD-DHIUTWEWSA-N 482.629 2.489 30 10 JEEE C#CCN(c1nnc([C@@H]2COc3ccccc3O2)n1CCC(C)(F)F)[C@H]1CCS(=O)(=O)C1 1760186065 JSXRSDBUJOPTMP-YJBOKZPZSA-N 466.510 2.463 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CC1(N(C)C)CCCCC1)[C@H]1CCS(=O)(=O)C1 1760190714 USZBEYJIGZRIHO-NRFANRHFSA-N 470.643 2.155 30 10 JEEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1CCCn1cc(Br)cn1 1760224637 SPPRFWXHPBZIOO-UHFFFAOYSA-N 457.336 2.434 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2Cc2nncn2C)CC1 1760255553 KRCAZYKUAZYNJJ-UHFFFAOYSA-N 475.782 2.293 30 10 JEEE C=CC[C@@H](Cn1c(CC(C)C)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1)c1ccccc1 1760419858 DISOKNMFOVWSRN-NRFANRHFSA-N 492.628 2.303 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N(C)C[C@H]1CCCOC1 1760514631 BXPKOUCYSUWZDM-CQSZACIVSA-N 451.369 2.211 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCS(=O)(=O)N(C)C)C1 1760544222 VXBCFGXLSCFUBM-SFHVURJKSA-N 453.996 2.195 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@H](NC(C)=O)C1 1760557714 UNUGOISSNLHEQO-FQEVSTJZSA-N 475.615 2.180 30 10 JEEE N#C[C@]1(F)CCN(c2nnc(CN3CCCC3=O)n2Cc2cccnc2OCC(F)(F)F)C1 1770730827 FIECNCUHONPXNH-LJQANCHMSA-N 467.427 2.227 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 1772564796 PJMORUJKLOEGAU-QGZVFWFLSA-N 451.593 2.370 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCNC(C)=O)[C@H]2c2cc(OC)c(O)c(OC)c2)cc1C 1862408000 BEVMYSUOQVWZHK-NRFANRHFSA-N 484.505 2.441 30 10 JEEE CC(=O)NCCN1C(=O)c2cccc(OCC(=O)Nc3sc4c(c3C#N)CC[C@H](C)C4)c2C1=O 1865827936 RVHJVWFQROMZHZ-ZDUSSCGKSA-N 480.546 2.494 30 10 JEEE CC(C)CN1C(=O)c2ccc(C(=O)Nc3c(C#N)nnn3-c3ccc4c(c3)OCO4)cc2C1=O 1870143059 UIEXNJZHBHFNGU-UHFFFAOYSA-N 458.434 2.372 30 10 JEEE N#Cc1nnn(-c2cccc(Cl)c2)c1NC(=O)c1ccc(N2C[C@H](C(=O)O)CC2=O)cc1 1870150279 AWWIBUUVSNAWJL-CYBMUJFWSA-N 450.842 2.482 30 10 JEEE C=CCn1cc(OCC(=O)NCCc2ccccc2)c(=O)cc1CN1CCC(N(C)C)CC1 1870519500 URAUOQDXNPQZOE-UHFFFAOYSA-N 452.599 2.298 30 10 JEEE C#CCOc1cn(CCCN2CCCC2=O)c(CN2CCN(c3ccccc3OC)CC2)cc1=O 1870558972 PKRHTNRFOWXMGN-UHFFFAOYSA-N 478.593 2.204 30 10 JEEE O=C(NCC#CCN1CCOCC1)c1ccc(CNS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1 1890594147 XDUSGJXQFNBQOL-UHFFFAOYSA-N 495.523 2.249 30 10 JEEE COC(=O)C1(NC(=O)OC(C)(C)C)CC(NCc2occc2B2OC(C)(C)C(C)(C)O2)C1 2101328165 IGFNLDCQVLXLPK-UHFFFAOYSA-N 450.341 2.267 30 10 JEEE CC(C)(C)OC(=O)NCCC(CCNC(=O)OC(C)(C)C)NS(=O)(=O)c1ccc(C#N)nc1 2140760492 QAXMFNSHCUMDEB-UHFFFAOYSA-N 483.591 2.430 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CCC(N)=O)C(=O)N1CC[C@@H]2C[C@]2(B2OC(C)(C)C(C)(C)O2)C1 2141247185 GCDURCWKFKOUBU-HLFMIMNKSA-N 451.373 2.230 30 10 JEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CCOc2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2241079062 FKVFOEYAWGOUAO-INIZCTEOSA-N 482.408 2.184 30 10 JEEE C[C@H](CN(C)C(=O)c1nn(C)c(Cl)c1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2255655264 JZONZPNVORNKMI-GFCCVEGCSA-N 456.780 2.358 30 10 JEEE CN(C1CN(C(=O)OC(C)(C)C)C1)S(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2255950721 SOLOFNGUCSCKNP-UHFFFAOYSA-N 452.382 2.226 30 10 JEEE CO[C@H]1C[C@@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)s2)N(C(=O)OC(C)(C)C)C1 2256621143 QVGAJWXBBWMGHG-STQMWFEESA-N 453.370 2.405 30 10 JEEE CN(Cc1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(=O)[C@H](O)CCNC(=O)OC(C)(C)C 2256734608 FMRNUQJDYUVAOK-MRXNPFEDSA-N 454.398 2.281 30 10 JEEE CC(C)(C)OC(=O)N1CCC(N(CC(N)=O)C(=O)[C@@H]2C[C@H]2B2OC(C)(C)C(C)(C)O2)CC1 2267097739 RQDVIUOEXLRJQE-HZPDHXFCSA-N 451.373 2.182 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@@](O)(CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)C1 2267278580 ANJRTMMOZIUWJI-JOCHJYFZSA-N 450.341 2.071 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2C(CNS(=O)(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)s3)[C@@H]2C1 2267377314 DGXSXMGGTGRLRY-GJZGRUSLSA-N 484.449 2.439 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@H](C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C1 2268716824 VRJLGDNJZFLNHE-KGLIPLIRSA-N 467.397 2.131 30 10 JEEE CN(Cc1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(=O)C1(O)CC(NC(=O)OC(C)(C)C)C1 2268784762 HQBUQTKQAAUTRT-UHFFFAOYSA-N 466.409 2.424 30 10 JEEE Cc1c(C(=O)N[C@@H]2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281804356 KWBOGWXZXRAEMO-BZUAXINKSA-N 460.384 2.013 30 10 JEEE C[C@@H](NC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1)c1csc(NC(=O)OC(C)(C)C)n1 2281956110 UDPGKUIYBBVSPC-LLVKDONJSA-N 478.384 2.409 30 10 JEEE Cn1cc(C(=O)N[C@@H]2C[C@H]3C[C@H]2C[C@@H]3NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2281962379 YHVKODSHECTFAI-ABFRBSLYSA-N 460.384 2.141 30 10 JEEE Cc1nn(C)c(C(=O)N[C@H](CNC(=O)OC(C)(C)C)C(F)(F)F)c1B1OC(C)(C)C(C)(C)O1 2281976384 AVHGKHVUUDYDNV-GFCCVEGCSA-N 476.305 2.213 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@H]2CCN(C(=O)c3ncsc3B3OC(C)(C)C(C)(C)O3)C[C@H]21 2282022519 UMRNTOBJMIUXEM-CABCVRRESA-N 479.408 2.293 30 10 JEEE CCn1cc(C(=O)N2C[C@@H]3CCN(C(=O)OC(C)(C)C)[C@H]3C2)nc1B1OC(C)(C)C(C)(C)O1 2282530518 VRCRXZXEKUDLCA-RDJZCZTQSA-N 460.384 2.284 30 10 JEEE Cn1cc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC23CCC3)nc1B1OC(C)(C)C(C)(C)O1 2282550817 DQSJTQTZYLKQLD-INIZCTEOSA-N 460.384 2.239 30 10 JEEE Cc1ccnc(C(=O)N2CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C2)c1B1OC(C)(C)C(C)(C)O1 2282566669 BXAVBHSSSPCPAN-OCCSQVGLSA-N 455.286 2.218 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1SC 2282609354 HEBPZVOUYBCLLW-HOTGVXAUSA-N 480.440 2.283 30 10 JEEE CC(C)(C)OC(=O)N(CCO)[C@@H]1CCCN(C(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)C1 2282626321 GCPCKVKARGMZHC-MRXNPFEDSA-N 464.368 2.413 30 10 JEEE CC(C)(C)OC(=O)NCC1CN(S(=O)(=O)c2c(F)cc(F)cc2B2OC(C)(C)C(C)(C)O2)C1 2282866212 GBAPWPTWFWAUTO-UHFFFAOYSA-N 488.362 2.409 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C1 2283949020 UYJNAMFGDZZMAY-MOPGFXCFSA-N 458.364 2.198 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@](C)(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2283955359 LGBNGOLBNHPZTL-JOCHJYFZSA-N 465.331 2.484 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1)[C@@H](O)C(F)(F)F 2284131386 ZYHQXVIOCYDQHS-ZIAGYGMSSA-N 475.273 2.136 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC[C@H](C)N(C)C(=O)OC(C)(C)C)n1C 2337320128 VQRFPMYSMDPDOP-AWEZNQCLSA-N 450.389 2.403 30 10 JEEE COC[C@]1(NC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)CCN(C(=O)OC(C)(C)C)C1 2337341131 OIQWVYVDNFKYNT-NRFANRHFSA-N 467.397 2.198 30 10 JEEE COc1nc(O[C@H]2CCOC[C@H]2NC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2339834089 FSUCLGNIEJJLJE-CVEARBPZSA-N 450.341 2.450 30 10 JEEE CN(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C)[C@H]1CCC[C@H]1CNC(=O)OC(C)(C)C 2362338555 SCLZKGBDCSPUIM-HOTGVXAUSA-N 462.400 2.485 30 10 JEEE CN(C[C@H]1CN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CC12CC2)C(=O)OC(C)(C)C 2366020978 BFHQAMPZGOJXRX-HNNXBMFYSA-N 460.384 2.428 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)N2CC[C@H]1C2 2368742143 JFRNOXRAENVMPC-HOTGVXAUSA-N 461.368 2.002 30 10 JEEE CN(C(=O)OC(C)(C)C)C1(C(N)=O)CN(Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2369072330 DTXVKXYKBPZGGO-UHFFFAOYSA-N 463.359 2.032 30 10 JEEE Cc1ccccc1OC[C@H](O)Cn1c(NN=Cc2ccc(Cl)cc2)nc2c1c(=O)n(C)c(=O)n2C 5396493 UGPHUSVJUSWSHG-GOSISDBHSA-N 496.955 2.281 30 10 JEEE CC(C)(C)OC(=O)N1CCC(CS(=O)(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CC1 208056605 GZEKTBHRBOCXQQ-UHFFFAOYSA-N 467.397 2.197 30 10 JEEE C=CCNC(=O)CN1CCN(C(=O)c2cc(Cl)c(I)cc2OC)CC1 492352957 GASNRYAJANUPHO-UHFFFAOYSA-N 477.730 2.013 30 10 JEEE CC[C@H]1c2ccsc2CCN1C(=O)CN1CCN(S(=O)(=O)c2ccccc2C#N)CC1 501574557 QBQRARKZQKRCAI-IBGZPJMESA-N 458.609 2.462 30 10 JEEE C=CCN(C(=O)CS(=O)(=O)N1CCN(c2cccc(C)c2)CC1)c1nc(C(=O)OCC)cs1 501948959 SMEUOISWJQTOTC-UHFFFAOYSA-N 492.623 2.299 30 10 JEEE CC(C)c1ccc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3cnn4ccccc34)c2=O)cc1 729669057 YHVADSCEZWTKNW-UHFFFAOYSA-N 499.596 2.032 30 10 JEEE CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1[C@@H](C)c1ccccc1 729669957 YBGNUQWUKQISEB-SFHVURJKSA-N 471.586 2.442 30 10 JEEE N#Cc1cccc([C@H]2CN(S(=O)(=O)c3cc(Br)cc(C(N)=O)c3)CCO2)c1 1188837712 IBLDALGOCUZLRU-QGZVFWFLSA-N 450.314 2.182 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC(F)(F)F)cc1 1286296322 OCEVORPQCMLXLD-PBHICJAKSA-N 487.504 2.016 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)(C)C)n2C[C@H]2CC(=O)N(CCOC)C2)c1 1286312307 WMAYBVJTSIFNSN-FQEVSTJZSA-N 480.613 2.418 30 10 JEEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1286336906 QTGQYCWZZDYXEX-UHFFFAOYSA-N 491.621 2.499 30 10 JEEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(COC(C)(C)C)c1 1286376158 GLIYBLMFCRZLRZ-HXUWFJFHSA-N 475.615 2.044 30 10 JEEE C#CCN(c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCOCCOC)[C@@H]1CCS(=O)(=O)C1 1286385147 UQRUVQKCMJWUOK-PKOBYXMFSA-N 492.667 2.421 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1CCc1ccc(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1286387029 MXGCPGALWQHUKP-LJQANCHMSA-N 483.594 2.170 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CCN(C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1286391206 GUZCARIBHCDLDQ-QHCPKHFHSA-N 478.622 2.023 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@H](C)N1CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1286395644 SAIOYWITHSWRQO-URVUXULASA-N 470.643 2.011 30 10 JEEE C#CCN(c1nnc(COCC)n1Cc1ccc(Cl)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1286397754 UMTXJKODNAOJHH-MRXNPFEDSA-N 452.964 2.152 30 10 JEEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H](C)N1CCN(c2ccccc2)CC1 1286400996 MHIWHAXEECCADL-YIXXDRMTSA-N 476.625 2.214 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3c[nH]c4ccccc34)n2CC(=O)NCC(F)(F)F)CC1 1286490104 HEQLRGWGYYZKSJ-UHFFFAOYSA-N 487.486 2.071 30 10 JEEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1286606957 IEMRZBLJJVEKCL-UHFFFAOYSA-N 465.558 2.418 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCOC2)n1CCC(=O)N1CCOCC1 1286740777 WODVRUJTVLRJRB-FQEVSTJZSA-N 455.559 2.232 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCc2c(F)ccc(F)c2C1 1286814633 VENDQGLHBCZIQA-UHFFFAOYSA-N 488.520 2.367 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCCc2ccccc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1286821748 AAVJPOVSBNUDQC-QHCPKHFHSA-N 492.667 2.069 30 10 JEEE CCN(c1nnc(-c2ccc(C#N)cc2)n1CCC(=O)NC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1295161216 AIZAMYOCVYIVSN-SFHVURJKSA-N 458.588 2.135 30 10 JEEE CO[C@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1299551349 BMUNEHFDZPGAFY-PCCBWWKXSA-N 479.629 2.478 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC2(C)CC2)c1 1300334743 RXQAJQAPHKHYDB-GOSISDBHSA-N 455.584 2.427 30 10 JEEE C#CCN(c1nnc(CCCc2ccccc2)n1CCN1CCOCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1300501219 HWQJRYUCPPCCPL-HSZRJFAPSA-N 499.681 2.191 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1Cc1snnc1C)[C@@H]1CCS(=O)(=O)C1 1300503978 HRCOUPOFHFNBFI-QGZVFWFLSA-N 472.596 2.000 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1C[C@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1300505447 AFEQSZATOHPXQU-JBACZVJFSA-N 498.628 2.294 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN(C(=O)OC(C)(C)C)C1CC1 1300577825 CJLJDLRKFSQGJI-SFHVURJKSA-N 475.615 2.043 30 10 JEEE C#CCN1CCN(c2nnc(CCCOc3ccc(Cl)cc3C)n2CC(=O)N(C)CC)CC1 1300706642 QMVQYPNELUTNOC-UHFFFAOYSA-N 473.021 2.485 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2C[C@](C)(O)CCC)CC1 1300718959 IXLCUTBLYJFVKX-RUZDIDTESA-N 467.570 2.233 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCN2CCSCC2)CC1 1300733405 VJYSFJNRAURCIJ-NHCUHLMSSA-N 488.702 2.211 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC(NC(=O)COC)CC1 1300733648 ZLKJSYGCNKBMSW-UHFFFAOYSA-N 484.626 2.245 30 10 JEEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1ccccc1)C1CC1 1300761952 FGUCKMPHOZBZLZ-FQEVSTJZSA-N 475.640 2.146 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CC[C@]2(CNC(=O)C2)C1)C(C)C 1301367220 LQOOFNPAVRVYBF-RDPSFJRHSA-N 452.607 2.094 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N1CCC[C@@H](OCCOC)C1 1301491008 BYACSTCEEZKQLK-LJQANCHMSA-N 450.543 2.427 30 10 JEEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 1301502545 JVLKPZKNDDFFJR-NRFANRHFSA-N 479.629 2.096 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 1301579542 VKOZSGJOMNBUOH-UHFFFAOYSA-N 482.614 2.181 30 10 JEEE C#CCC1(NCC(=O)NCCN2C(=O)/C(=C\c3ccc4c(c3)OCO4)SC2=S)CCC1 1308099996 BNNCXBKJGKZBSL-LDADJPATSA-N 457.577 2.268 30 10 JEEE COCCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1316057249 ASRPBYBLDKALPP-PMACEKPBSA-N 452.538 2.245 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CCSC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1358956134 AWVVKCPGISCZDV-QAPCUYQASA-N 496.577 2.198 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1CCC=CO1)[C@H]1CCS(=O)(=O)C1 1358960189 YYQUMMWUAXCPAE-OALUTQOASA-N 472.567 2.282 30 10 JEEE C#CCN(CC#CC)c1nnc(CCCc2ccccc2)n1C[C@H]1CCCN1S(C)(=O)=O 1358996462 GMPGYHVXOWDINZ-JOCHJYFZSA-N 453.612 2.340 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2conc2COC)CC1 1359047313 ASMNPTGFTJSCDA-TZIWHRDSSA-N 484.601 2.345 30 10 JEEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1359222126 YTIILLWWZAXLMQ-UHFFFAOYSA-N 458.607 2.336 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1ccco1)N1CCCCC1 1359240422 NXELDMFQEDYNFK-QUCCMNQESA-N 478.619 2.053 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1)C(C)C 1359265374 DRMAPZHJJMEQKB-QPPBQGQZSA-N 487.674 2.392 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cnn(-c2ccccc2)c1 1359271895 GIRXQHZBIDMHPO-OAQYLSRUSA-N 483.598 2.023 30 10 JEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1cccc(F)c1)C[C@H]1CCCO1 1359287674 PYWNBQAVDOQLBB-WOJBJXKFSA-N 479.578 2.122 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N(C)C1CCN(C(=O)c2ccccc2)CC1 1359306529 JQPSYAZVJBPPRQ-HXUWFJFHSA-N 452.559 2.173 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCO[C@@H](COC)C1 1359328882 QJZCYAFCMIBRES-QGZVFWFLSA-N 499.431 2.468 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1359334903 UKYXNZYBZCJHFY-LJQANCHMSA-N 451.637 2.353 30 10 JEEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(F)c1 1435550467 CYIRZOTXHNOVCX-RCDCFZSISA-N 456.909 2.397 30 10 JEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(CCOc3cccc(OC)c3)CC2)c1 1446535125 BKVSKMHOZUNENK-UHFFFAOYSA-N 456.564 2.329 30 10 JEEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCO[C@@H]3CCN(Cc4ccccc4)C[C@H]32)c1 1452831332 ITSSQYNLHGNWDU-DHIUTWEWSA-N 455.580 2.266 30 10 JEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1cc(Br)no1 1468172605 GHXRCLPKUIUEFA-ZDUSSCGKSA-N 455.334 2.207 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(CN2CCO[C@H](C)C2)c1 1507514577 OLCZAWIXOBQHMH-WOJBJXKFSA-N 450.587 2.241 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1507644997 SXGMOAQALXVHIB-HXUWFJFHSA-N 493.589 2.471 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC[C@H]1COCCO1 1507648221 LTYLUTMHZOSYSF-IBGZPJMESA-N 460.538 2.114 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cc(F)ccc2SC)CC1 1507733510 BEEWTABDPJFRBL-UHFFFAOYSA-N 484.601 2.389 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H](F)COC)CC1 1507733700 ITULSYIKFICAHV-IBGZPJMESA-N 470.549 2.098 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@H](C)N(C)C)CC1 1507733934 DIDBAVSWUXYZLE-INIZCTEOSA-N 460.529 2.462 30 10 JEEE C=C(Br)Cn1c(CC(C)(C)C)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1507784122 GSXQSUWPPAIRRE-ZDUSSCGKSA-N 451.373 2.307 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1507809231 IPZYURKUOUEVQJ-FXAWDEMLSA-N 455.625 2.046 30 10 JEEE C=C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC(=O)NCC(F)F)CC1 1507876760 UGYINIHXFNGRDE-UHFFFAOYSA-N 452.893 2.399 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1508135774 ASBZKZXYVYDYHS-SFHVURJKSA-N 475.590 2.428 30 10 JEEE COCC[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1518957428 DLNRLZFCNDAWHZ-AREMUKBSSA-N 492.628 2.277 30 10 JEEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC(C)(C)C(=O)NCC 1539025141 DYTLZZOSJINFAL-NRFANRHFSA-N 465.646 2.263 30 10 JEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2cccc(F)c2)CC1 1539071581 BZZFRTBNKJOXPK-HXUWFJFHSA-N 459.591 2.445 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1CC1(O)CCS(=O)(=O)CC1 1539251791 QBMDVJGGBGTVPJ-UHFFFAOYSA-N 484.622 2.383 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccccc2Br)n1CCCn1cc(CO)nn1 1539320671 YDJQARCTXBCMIU-UHFFFAOYSA-N 468.359 2.345 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2Cc2ccc(C[S@](C)=O)cc2)CC1 1539484063 AWHFIQYPPZHRJH-DHUJRADRSA-N 490.633 2.157 30 10 JEEE C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1539772570 IOPGBMVVXAYFAW-QFBILLFUSA-N 487.008 2.057 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)c2c(C)noc2C)CC1 1539847633 IMCOFNFMLVKHGQ-YJBOKZPZSA-N 464.592 2.176 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](CN2CCC(C)CC2)C1 1540862179 UJZHPSXPYVPPOI-HXUWFJFHSA-N 480.617 2.176 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1540900507 YBDSDYZRZMTYRC-QHCPKHFHSA-N 497.669 2.022 30 10 JEEE CCOC(=O)[C@H](Cc1ccccc1)N(C)C(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 1567867177 BFVDYKKKCOQMAY-APWZRJJASA-N 457.552 2.137 30 10 JEEE COC(=O)C(C)(C)c1csc(NC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)n1 1569524797 FYKWOYHKAZGQBS-LLVKDONJSA-N 450.542 2.050 30 10 JEEE C#CCCCCn1c(COc2ccc(C)cc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1587787711 PIHWYCRIJXOOSU-UHFFFAOYSA-N 478.597 2.240 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1Cc1nnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1588034535 IGIMPLZEIFJEGG-GOEBONIOSA-N 490.586 2.392 30 10 JEEE C#CCN(c1nnc(-c2ccccc2)n1CCN(C)CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1588045240 HSBFRFCPXZPYOB-QGZVFWFLSA-N 455.506 2.066 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCO3)n1CCNS(=O)(=O)c1ccc(C)s1 1588113100 GXAKCVMXMIMDDA-UHFFFAOYSA-N 483.575 2.095 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(C)n2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1588629105 XTLMXEPSNYDWRJ-HXUWFJFHSA-N 461.570 2.403 30 10 JEEE C#CCN(CCOC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H]1NC(=O)CC1(C)C 1588645518 AMABNLACANMITF-IBGZPJMESA-N 488.633 2.393 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCc2noc(CC)n2)CC1 1588908708 VKIYXNYPMBKEIG-UHFFFAOYSA-N 468.949 2.147 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2Cc2cccc(Br)n2)CC1 1588946304 BDALEEKPAZEOHJ-UHFFFAOYSA-N 494.397 2.436 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CC(F)(F)Br)CC1 1588955033 OMKYYMGLCOCUGK-UHFFFAOYSA-N 467.318 2.217 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2Cc2cnn(C)c2)CC1 1588962139 WEMRTWRMNNNILC-UHFFFAOYSA-N 461.570 2.222 30 10 JEEE C#CCSCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCO[C@H](C#N)C1 1589053145 IMTHDGUERSFVOJ-QGZVFWFLSA-N 463.567 2.160 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCN(C(=O)OCC)CC2)nnc1[C@@]1(OCC)CCOC1 1589582194 ZKKKAGYOBNBIMW-SELNLUPBSA-N 463.579 2.190 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(=O)Cc2cccc(F)c2)CC1 1593884216 FMPSCRZFBFIGSZ-GOSISDBHSA-N 496.008 2.353 30 10 JEEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 1594615978 MORPEUBQDUJKFK-OALUTQOASA-N 464.636 2.416 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1595466987 OLCCYKRUPWDCHA-HXUWFJFHSA-N 479.585 2.041 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1595516988 MJBSAHYVQIIOFK-MSOLQXFVSA-N 476.375 2.394 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1595537513 RZZOPYDFEGPPRT-JKSUJKDBSA-N 472.571 2.160 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1595576986 FGJHRQSUDILNQY-UHFFFAOYSA-N 483.617 2.406 30 10 JEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2c(ccnc2N(C)C)C1 1595884637 PHCUCYPJNHQUEK-KRWDZBQOSA-N 462.645 2.123 30 10 JEEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C(F)(F)F)C1 1595884648 PKXWLNIEVULMKV-LSDHHAIUSA-N 483.582 2.309 30 10 JEEE CCOc1ccc(O[C@H](C)c2nnc(N3CCO[C@@H](C#N)C3)n2CCC(=O)NC(C)C)cc1 1616416279 FILIBZUWNGGSLF-XLIONFOSSA-N 456.547 2.460 30 10 JEEE C#CCC1(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)c2)CCOCC1 1616762136 HCAYOOHKBUKCBF-IYBDPMFKSA-N 454.976 2.440 30 10 JEEE C=C(C)Cn1c(SCC(=O)N2CCC([C@]3(C)NC(=O)NC3=O)CC2)nnc1-c1ccco1 1618695426 CGUFMWXSXJEVBK-NRFANRHFSA-N 458.544 2.043 30 10 JEEE C#CC1(O)CCN(C(=O)c2nnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2C(F)F)CC1 1641976802 VQJVPNLRLFFMNV-UHFFFAOYSA-N 453.490 2.388 30 10 JEEE CC(=O)c1c(C)cc(OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1C 1653054379 PTZCLFIQDCPLKN-UHFFFAOYSA-N 455.536 2.290 30 10 JEEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CC(O)(c3cccc(Br)c3)C2)c1 1656185870 QAWQNZAHQNBLAM-UHFFFAOYSA-N 451.342 2.257 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCN1CCN(CC)CC1 1689830872 DBBTVWZRFYUFDD-LJQANCHMSA-N 486.690 2.032 30 10 JEEE C#CCCCn1c(COc2ccccc2F)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1689940224 RCJHVOUIPQTEEW-IBGZPJMESA-N 491.589 2.040 30 10 JEEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1Cc1ccc(C)n(C)c1=O 1689960934 FCJIWQJSOAXTNW-UHFFFAOYSA-N 457.538 2.361 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H](OC)[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1689983703 FROIVEDTNMUUHK-BLIXFSHQSA-N 474.583 2.362 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(Cn3nc(C)cc3C)n2CC(F)(F)F)n1 1690109308 NEGXUMBCZDVRID-UHFFFAOYSA-N 450.469 2.185 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C)Oc2ccc(Cl)cc2)CC1 1690124978 XXOPTSUDEREPIQ-ZWKOTPCHSA-N 478.018 2.056 30 10 JEEE C#CCN1CCN(c2nnc(CC3CCCC3)n2CCNS(=O)(=O)c2ccc(C)s2)CC1 1690130698 MIHQTMZOYRSLAG-UHFFFAOYSA-N 476.672 2.114 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(OC)cc3)n2Cc2nccs2)CC1 1690152457 LZJIKPFUMAGLIE-UHFFFAOYSA-N 466.567 2.336 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1690243151 HQNLRGWXRHGVJS-SXLOBPIMSA-N 487.605 2.390 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccccc1F 1690266065 ZQNLBQZJRMFOTF-IBGZPJMESA-N 451.568 2.395 30 10 JEEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1690299090 DSIYRSQHQZZBQM-UHFFFAOYSA-N 470.578 2.148 30 10 JEEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1690449749 PPZGNKMFKNQIHE-NRFANRHFSA-N 465.602 2.219 30 10 JEEE C=CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(C(=O)COC)CC1 1690462976 SHPBANHRGNLFMO-UHFFFAOYSA-N 468.606 2.103 30 10 JEEE C=CCNC(=O)Cn1c(Cn2ccc3ccccc32)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1690674739 CVUSKJQREZJHKR-QGZVFWFLSA-N 489.502 2.088 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCC2(O)CCC2)C1 1690688522 WWQTXLAADPOEDX-LJQANCHMSA-N 475.615 2.282 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCc3oncc3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1690731157 BGYBGYHZGXGBAB-WOVMCDHWSA-N 492.602 2.200 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCN(C3Cc4ccccc4C3)CC2)nnc1C(C)(C)C 1690731614 NZMRHVDIHVTSOS-UHFFFAOYSA-N 457.644 2.466 30 10 JEEE CC(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1692413133 AENOBDZHYDKWQY-SFHVURJKSA-N 459.620 2.128 30 10 JEEE C[C@@H]1COCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1693846130 DGXBBTHKSRPASU-SLYNCCJLSA-N 473.599 2.415 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@](C)(O)c2ccsc2)c1 1705505584 QLSLEIJDWOZEML-YADARESESA-N 478.578 2.255 30 10 JEEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 1705514075 JJCHWXPTDAZYDJ-UHFFFAOYSA-N 466.634 2.299 30 10 JEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 1705533189 VETPPXFAGZQKRH-SFHVURJKSA-N 476.002 2.096 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1cccc(C(=O)N(C)C)c1)[C@@H]1CCS(=O)(=O)C1 1705564374 BXEBOMDXGMYBNY-HXUWFJFHSA-N 471.627 2.244 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1ncc(CC)s1)[C@H]1CCS(=O)(=O)C1 1705565616 IHSWSNCKBPOKPV-INIZCTEOSA-N 456.597 2.342 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccc(-n2cncn2)nc1 1705587702 FZFOIDFYCBMTMD-BGYRXZFFSA-N 487.568 2.146 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@]1(N(C)C)CCSC1 1705595959 MRCSQJPREZFTIF-RUZDIDTESA-N 475.622 2.092 30 10 JEEE C#CCN(CC#CC)c1nnc(COc2ccc(OC)cc2)n1C[C@H]1CCCS(=O)(=O)C1 1705601972 DNCWBWLWRLNYQK-LJQANCHMSA-N 456.568 2.153 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2Cc2ccccc2OCCN(C)C)CC1 1705638145 AJRYYCJXBGMYII-UHFFFAOYSA-N 459.598 2.392 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)cn3C)n2Cc2cc(C)no2)CC1 1705645259 PDOYFIBQZMEPGL-UHFFFAOYSA-N 486.374 2.357 30 10 JEEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1705692996 ZVJIEWXEFRJDSF-MRXNPFEDSA-N 455.401 2.029 30 10 JEEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C[C@H]2CCCO2)CC1 1705693874 LOWVJZLVOPDTAL-KSZLIROESA-N 470.412 2.212 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)CN1CCOCC1 1705864787 MVYZRRFFSBWEBA-CTNGQTDRSA-N 491.633 2.480 30 10 JEEE C=CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1705893023 XFDOTAGZVBMSIB-UHFFFAOYSA-N 479.368 2.277 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1705906478 GVZPGMZKTMTRTQ-LJQANCHMSA-N 454.575 2.209 30 10 JEEE CCn1cc(C2CCN(c3nnc(-c4ccc(C#N)cc4)n3CCS(C)(=O)=O)CC2)cn1 1710174638 CUFWRBPRZSCTPB-UHFFFAOYSA-N 453.572 2.462 30 10 JEEE COC[C@@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1712129817 CKVMJKBNEMCCGA-FQEVSTJZSA-N 465.602 2.234 30 10 JEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CC[C@@H](C)c1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1722360173 ZTFRGCVEHHGULE-TZIWHRDSSA-N 499.637 2.343 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1cc(C)cc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1722361052 KSWKZTJWFJGFBJ-LJQANCHMSA-N 451.552 2.332 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1cccc(OCC(N)=O)c1 1722387506 GJDBMEMNLBBOKX-BGYRXZFFSA-N 492.580 2.034 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCCCC1 1722422730 TUXXOFGBUAEELL-HXUWFJFHSA-N 459.591 2.445 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCc2c(C)noc2C)CC1 1722443746 NFEQDTAYUWAOII-VWLOTQADSA-N 484.601 2.132 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2Cc2cnn(C)c2)CC1 1722443860 CKGURPCEYRVDTI-KRWDZBQOSA-N 465.533 2.305 30 10 JEEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1722480620 RZOMLXWMMNPYGI-SJORKVTESA-N 469.384 2.321 30 10 JEEE C=C(C)COCCn1c(CCOc2ccccc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1722536689 YTWAGKNSVXMBPM-UHFFFAOYSA-N 468.558 2.013 30 10 JEEE C=C(Cl)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCN(C(C)=O)CC1 1722554093 FJGHIQGNATXPNT-UHFFFAOYSA-N 458.010 2.064 30 10 JEEE C=CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1722685657 IMONQAPJFLLGHQ-LJQANCHMSA-N 489.621 2.153 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1 1722698846 NMKHHRUPQRKACU-SJLPKXTDSA-N 462.595 2.214 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1722729779 XBQSJDMLVKFODW-QGZVFWFLSA-N 453.634 2.486 30 10 JEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N(C)Cc1ccc(Br)cc1 1722730648 YMJOHTQWDIGYQK-UHFFFAOYSA-N 496.431 2.400 30 10 JEEE CC(C)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCc2cnn(C)n2)[C@@H](C)C1=O 1723468870 FNSPNBNGZGVZDO-IBGZPJMESA-N 491.600 2.183 30 10 JEEE CCCC(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1727892366 DJBJVFLWZVITMR-PMACEKPBSA-N 484.626 2.384 30 10 JEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1740583401 XVHSDSCTOAGIEI-UHFFFAOYSA-N 493.655 2.060 30 10 JEEE C#CCN(CC#CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC1(O)CCCC1 1740658909 RHJBARIUZOAEOY-UHFFFAOYSA-N 460.626 2.411 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H](C)CN2CCCC2)CC1 1740706802 DLOLXWFTAXPSKM-GOSISDBHSA-N 469.659 2.332 30 10 JEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(Oc2cc(C)ccn2)CC1 1740709252 LBQHBJUGLRSGIF-QGZVFWFLSA-N 478.644 2.006 30 10 JEEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCN(C(=O)N(CC)CC)CC1 1740738039 COJSUFYUTYXVHM-INIZCTEOSA-N 473.416 2.495 30 10 JEEE CC(C)C[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C)N(C)C 1741422405 HHLZXDLKJBFVGZ-XUVXKRRUSA-N 467.622 2.135 30 10 JEEE CC(C)CC[C@](C)(O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1741497575 FQRUESUSQODNIS-CYFREDJKSA-N 466.590 2.010 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1CCc1ccc(NC(C)=O)cc1)[C@H]1CCS(=O)(=O)C1 1748821000 LDJITVFKOQCHFQ-NRFANRHFSA-N 455.584 2.058 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1C[C@H]1CCCN1C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1748822103 XQDWMFZWAPLGEH-RTBURBONSA-N 477.631 2.257 30 10 JEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(OC(C)C)nc1 1748960404 KCYXGVMLDYYMLT-UHFFFAOYSA-N 452.515 2.322 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2C[C@@]2(C)COCCO2)CC1 1748984946 XIEUBRJBGBYLHX-QFIPXVFZSA-N 490.402 2.277 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCCN(C(C)C)C(C)C)CC1 1749009479 RFNWRPPQFOAIJV-UHFFFAOYSA-N 454.623 2.153 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)CCC(=O)NC 1749118855 KGADJRJYKLDOCI-FXAWDEMLSA-N 474.993 2.415 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1749135880 JCHFCTDMGZXJKO-ZRXZBVFWSA-N 481.553 2.070 30 10 JEEE C=CCCOCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(NS(C)(=O)=O)CC1 1749445478 PIYUUMTXJWHBHO-UHFFFAOYSA-N 487.424 2.146 30 10 JEEE C=CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1749627626 SXVCJGOFXRAMOZ-KRWDZBQOSA-N 482.651 2.439 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CC[C@H](C(N)=O)C1 1749651042 MKHWCAKRFXIBSY-HOTGVXAUSA-N 460.966 2.302 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1749655085 CIVPFCZTLSFLDK-GOSISDBHSA-N 479.545 2.280 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1749682050 NPODURZZEGBJOF-UZUQRXQVSA-N 473.599 2.265 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCNC(=O)c2ccccc2F)C1 1749717909 QTIBEXIBRRDXCJ-IBGZPJMESA-N 467.549 2.490 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CCC[C@@H]1NC(=O)NC1=O 1760105760 URYMZEOGARDSOK-WBVHZDCISA-N 454.531 2.187 30 10 JEEE C#CCN(c1nnc(COc2ccccc2CC)n1CCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1760192599 KOCSMKCOTMXATE-OAQYLSRUSA-N 471.627 2.142 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCN1CCOC(C)(C)C1 1760197146 RAODOENYCXNREQ-UHFFFAOYSA-N 467.570 2.155 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H](C(C)C)N1CCOCC1 1760213319 YFUVPDGVXLYXQA-HSZRJFAPSA-N 483.638 2.168 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCc1scnc1C 1760245001 OGBDUKXXXFXDGF-UHFFFAOYSA-N 459.597 2.442 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CC(C)(C)N2CCC(OC)CC2)CC1 1760265339 XSPUVRWCSBHGNP-UHFFFAOYSA-N 458.651 2.431 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCNC(=O)C(C)C)CC1 1760270894 DXLSSAAQMJHEKA-UHFFFAOYSA-N 480.613 2.212 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2Cc2csc([C@@H](C)OC)n2)CC1 1760271900 QMKPOXGBKRUSSN-QGZVFWFLSA-N 479.610 2.442 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1Cc1ccc(OC)c(OC)c1OC 1760297259 MZXPTZKTDIUNTP-XMMPIXPASA-N 453.543 2.467 30 10 JEEE C=C(C)COCCn1c(Cc2ccsc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1760359107 HBGBXWVDNSZOOT-UHFFFAOYSA-N 453.634 2.383 30 10 JEEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)N(C)C2CCCCC2)CC1 1760442937 YIMYHJNFINYXLF-UHFFFAOYSA-N 471.650 2.280 30 10 JEEE C=CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1760509403 CFCXWKKGQFABDF-UHFFFAOYSA-N 485.536 2.319 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCN(c2ccc(O)cc2)CC1 1760554114 RNGFJRZARZDQQR-UHFFFAOYSA-N 468.583 2.282 30 10 JEEE CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(C#N)cc1)N1CCCC1 1762323975 FLTNNWGSSCRJOJ-FXAWDEMLSA-N 459.620 2.271 30 10 JEEE CCn1cnnc1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1766979847 FCXOHXGQQWNQIO-SFHVURJKSA-N 477.573 2.082 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCNC(C)=O)[C@H]2c2ccc(O)c([N+](=O)[O-])c2)cc1C 1862406853 ZHRXLRPIDKFEPN-FQEVSTJZSA-N 469.450 2.332 30 10 JEEE C[C@@H](NC(=O)C[C@@H](c1cccc(Br)c1)c1nn[nH]n1)C(=O)Nc1ccc(C#N)cc1 1867248065 UZGHBYIRYDFYNR-PXAZEXFGSA-N 468.315 2.499 30 10 JEEE Cc1ccc([C@H](C#N)NC(=O)CNC(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)cc1 1867908122 RKDVNBYKMATLJB-NRFANRHFSA-N 456.458 2.495 30 10 JEEE CC(=O)N(CCN)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1 1868782523 JUWMVFXXFKORKI-YADHBBJMSA-N 499.612 2.225 30 10 JEEE C=CCN=c1nc(N2CCN(C(=O)OCC)CC2)[nH]c(=Nc2ccc(OCC)c(OCC)c2)[nH]1 1871596937 LVKZYVPWIDIORU-UHFFFAOYSA-N 471.562 2.133 30 10 JEEE COc1ccc(N2C[C@H](c3nnc(SCC(N)=O)n3/N=C/c3cccs3)CC2=O)cc1 1874199058 DIPWXERPKFPWKM-HKXVIOCSSA-N 456.553 2.328 30 10 JEEE C=CCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NCCOCCO)ncnc21 1875230958 UKGBLQDUAPBODQ-UHFFFAOYSA-N 480.569 2.009 30 10 JEEE C=CCn1c(C(=O)N2CCN(c3ncccn3)CC2)cc2c(NCCCn3ccnc3)ncnc21 1875231209 FHWKVQJKYBRJNZ-UHFFFAOYSA-N 472.557 2.068 30 10 JEEE O=C(NCC#CCN1CCCC1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1cccc(Cl)c1 1891332620 SSWKVZRFQMKQRN-JOCHJYFZSA-N 459.999 2.445 30 10 JEEE COc1ccc([C@@H]2[C@H](C(=O)N3CCC(COc4nccnc4C#N)CC3)OCC(=O)N2C(C)C)cc1 1891580130 LCUMEVLETJXVSU-DNQXCXABSA-N 493.564 2.351 30 10 JEEE COc1cc(C=CC(=O)OCC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)ccc1OCC#N 2042438028 WVKRFYKKIGCBJB-UHFFFAOYSA-N 473.507 2.043 30 10 JEEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cc(N)c(Br)cc2F)[C@@H](C#N)C1 2162920429 DUZVTTQRPUWVRT-JTQLQIEISA-N 463.329 2.304 30 10 JEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](C(=O)Nc2ccc(C#N)c(Br)c2)C1 2197774198 WMAFXYWWIVXAPP-AWEZNQCLSA-N 458.334 2.293 30 10 JEEE CC(C)(C)OC(=O)NC1[C@@H]2CN(S(=O)(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)s3)C[C@@H]12 2255777008 FADIPUDCDYBSOR-CHWSQXEVSA-N 470.422 2.191 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1S(=O)(=O)NC[C@H](C)NC(=O)OC(C)(C)C 2255794354 KVKDNPMRNKGMJN-HNNXBMFYSA-N 454.398 2.486 30 10 JEEE C=C(CS(=O)(=O)N1C[C@H](C)CC[C@H]1CNC(=O)C(F)(F)F)B1OC(C)(C)C(C)(C)O1 2255794395 LCYPFNJMARYYNO-OCCSQVGLSA-N 454.320 2.283 30 10 JEEE C=C(CS(=O)(=O)Nc1cnc(CNC(=O)OC(C)(C)C)nc1)B1OC(C)(C)C(C)(C)O1 2255794407 LDOIYGFDHYYWNH-UHFFFAOYSA-N 454.358 2.431 30 10 JEEE Cc1sc(C)c(S(=O)(=O)NCC(=O)NCc2ccccc2)c1B1OC(C)(C)C(C)(C)O1 2255952244 QFKLXKGMUUQTTO-UHFFFAOYSA-N 464.418 2.259 30 10 JEEE CCN(C[C@H](C)NC(=O)OC(C)(C)C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)c(C)nn1C 2267145631 HQDKPMQJFMFESK-AWEZNQCLSA-N 450.389 2.403 30 10 JEEE Cc1cc(C(=O)N[C@H](C)C2(O)CN(C(=O)OC(C)(C)C)C2)sc1B1OC(C)(C)C(C)(C)O1 2267232537 SQXDNNHBDSEHCH-CQSZACIVSA-N 466.409 2.456 30 10 JEEE CC(C)(C)OC(=O)NCCO[C@H]1CCN(C(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)C1 2267285501 JHUIIVQLVUZALP-HNNXBMFYSA-N 450.341 2.335 30 10 JEEE CC1(C)OB(c2cncc(C(=O)N[C@H]3CCOC[C@H]3NC(=O)OCc3ccccc3)c2)OC1(C)C 2267587962 FFTIXDLJGHYVGB-LEWJYISDSA-N 481.358 2.195 30 10 JEEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)Cc2ccccc2B2OC(C)(C)C(C)(C)O2)CC1 2267708870 RUQLRNVABSGVPN-UHFFFAOYSA-N 466.409 2.368 30 10 JEEE Cc1c(C(=O)NC[C@@H]2[C@H]3C[C@H]3CN2C(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281807464 QGUADHBOIIKSSU-HRCADAONSA-N 460.384 2.013 30 10 JEEE Cc1cnc(C(=O)NC[C@@H]2CCCCN2C(=O)C(F)(F)F)c(B2OC(C)(C)C(C)(C)O2)c1 2281950559 XUQHLRBRNGYXSJ-AWEZNQCLSA-N 455.286 2.362 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2C[C@H](C1)C2NC(=O)OC(C)(C)C 2281960058 UEQISKSQRSIYCM-FKEKPDDDSA-N 460.384 2.187 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@H]([S@](C)(=O)=NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2281983166 SIISQINVHDDPBH-UUBFPDNSSA-N 482.412 2.346 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@](F)(CNC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C1 2281999202 CDYYMCJSQFTGSU-NRFANRHFSA-N 485.387 2.148 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)n1 2282035082 QDYLYJOGODKDLE-QHCPKHFHSA-N 460.384 2.192 30 10 JEEE Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@]1(CO)CCN(C(=O)OC(C)(C)C)C1 2282109628 GQDJRFOYHIVJQW-DEOSSOPVSA-N 460.380 2.396 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)N1C[C@H](O)C[C@@H](NC(=O)OC(C)(C)C)C1 2282130841 PRGKYANLVBBQAA-QZTJIDSGSA-N 460.380 2.394 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2[C@@H]1NC(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2282175032 IUUOZLZQZLNBAI-MANSERQUSA-N 458.364 2.396 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)CCCO1 2282183624 IUYZHJCZBMKISJ-QGZVFWFLSA-N 461.368 2.137 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)c3ccsc3B3OC(C)(C)C(C)(C)O3)C[C@H]2[C@@H]1CO 2282484047 AERBEWRTKHLXMH-UAGQMJEPSA-N 478.420 2.347 30 10 JEEE CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282491695 MDJYELBNJBBWTB-QHCPKHFHSA-N 492.472 2.305 30 10 JEEE Cc1nc(C(=O)N2CCO[C@H](CN(C)C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2282512934 LUIXGKYVAYKXBH-OAHLLOKOSA-N 481.424 2.459 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCN(C(=O)OC(C)(C)C)CC(F)(F)C2)n1 2282538910 MILXAGOGJWRIJK-UHFFFAOYSA-N 470.326 2.048 30 10 JEEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(O)cc1O 2282966308 DUYUXRZUTXAKAW-CZUORRHYSA-N 462.352 2.382 30 10 JEEE CC(C)(C)OC(=O)NCC1CN(CC(=O)NCc2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2283954922 IJGPVILRNCAKBV-UHFFFAOYSA-N 459.396 2.059 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1C(=O)N1Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C1 2283973301 UOKISXDQVSWSJV-RBUKOAKNSA-N 458.364 2.368 30 10 JEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H](CC(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)O1 2283976299 BOMIWIJFKSAJFM-GJZGRUSLSA-N 481.424 2.473 30 10 JEEE C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)OC(C)(C)C)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2284041579 PLWQWLYMRNCIOH-ZFWWWQNUSA-N 481.424 2.383 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N1CCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C1 2284054962 LXWPIJCXCUUJPQ-IBGZPJMESA-N 460.380 2.146 30 10 JEEE C=C(CN(C)C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CC(C)(C)S1(=O)=O)B1OC(C)(C)C(C)(C)O1 2284123474 BHAAWDDUWFFDCH-MRXNPFEDSA-N 486.440 2.445 30 10 JEEE C[C@@H]1O[C@]2(C(=O)NCc3ncc(B4OC(C)(C)C(C)(C)O4)s3)C[C@@]1(NC(=O)OC(C)(C)C)C2 2284123919 FGZCHVJETLDDOL-LACYOAMESA-N 479.408 2.273 30 10 JEEE CN(C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1)[C@H]1CN(C(=O)OC(C)(C)C)CC12CC2 2287018015 WSNFPQACLPTXJS-INIZCTEOSA-N 460.384 2.191 30 10 JEEE CN(C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1)[C@H]1CN(C(=O)OC(C)(C)C)CC1(C)C 2289957790 OIBSRWZCGZZBSW-INIZCTEOSA-N 462.400 2.437 30 10 JEEE CCCc1[nH]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1C=NCCc1ccc(S(N)(=O)=O)cc1 2297732925 DVZGQXCQWYZKSJ-UHFFFAOYSA-N 457.512 2.335 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CC[S@](=O)(=NC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C1 2315699195 PULWDHWUTXNCSQ-MDQXEJNYSA-N 471.410 2.348 30 10 JEEE O=C(O)c1ccc(C=Nn2c(SCCO)nnc2[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1 2325924752 CGMZLJLCLVZWHY-IBGZPJMESA-N 465.535 2.459 30 10 JEEE COc1nc(OC[C@H]2COC[C@H]2NC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2339826116 SAVYZTLVWXZDDI-GDBMZVCRSA-N 450.341 2.308 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(NC2(C(N)=O)CCN(C(=O)OC(C)(C)C)CC2)n1 2362158034 VWMKFHGOKIYBBE-UHFFFAOYSA-N 460.384 2.356 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@]12CCC[C@H]1CN(C(=O)OC(C)(C)C)C2 2362343474 GXJLMOUKXZFOBZ-WNSKOXEYSA-N 460.384 2.239 30 10 JEEE COc1ccc(/C=C2\SC(=S)N(CC(=O)c3c(C)c(C#N)c(=O)n(C)c3O)C2=O)cc1 38616055 UHMSLKPTFMUUNH-PXNMLYILSA-N 455.517 2.364 30 10 JEEE CCOc1ccc(C(=O)/N=C(\NCCN2CCOCC2)Nc2ccc3c(c2)OCCO3)cc1 46135100 UZQCLKXCAZYRFB-UHFFFAOYSA-N 454.527 2.387 30 10 JEEE C=CCn1cc(/C=N/Nc2nc(SCC(=O)NCc3ccc(OC)c(OC)c3)n[nH]2)cn1 59831800 HGGPFVYKDFOPPC-LSHDLFTRSA-N 456.532 2.059 30 10 JEEE N#C[C@H]1C(=O)Nc2nc(N3CCC(C(N)=O)CC3)[nH]c(=O)c2[C@H]1c1ccc(Cl)cc1Cl 72443739 MDXZVWYDUPJWFV-OCCSQVGLSA-N 461.309 2.002 30 10 JEEE COc1cc([C@H]2c3c(nc(N4CCC(C)CC4)[nH]c3=O)NC(=O)[C@H]2C#N)cc(OC)c1OC 72445358 FDNBIQVAHZKBMJ-WMLDXEAASA-N 453.499 2.256 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)[C@H](C)[S@@](=O)CC(=O)Nc3cccc([N+](=O)[O-])c3)cc21 586348837 GPCBSNIAWRFGPR-UUBFPDNSSA-N 471.491 2.465 30 10 JEEE N#Cc1ccc(Oc2ccc(NC(=O)C(=O)NCCCN3CCCS3(=O)=O)cc2Cl)cc1 608798507 NLSXSDHLCRAKJE-UHFFFAOYSA-N 476.942 2.484 30 10 JEEE C=CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1cn(CC(=O)O)nn1 757340584 OBDATDGUHKAEEV-JOCHJYFZSA-N 475.505 2.462 30 10 JEEE C#Cc1cccc(NC(=O)CNC(=O)CCN2C(=O)COc3cc(Br)ccc32)c1 918344181 YWDXMNDAADPCAE-UHFFFAOYSA-N 456.296 2.301 30 10 JEEE 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 1128806500 ZCZSBLIDFBYEHV-SUMWQHHRSA-N 457.515 2.271 30 10 JEEE C#C[C@@H]1CCCCN1CC(=O)NCCN1C(=O)S/C(=C/c2ccc(OC)c(OC)c2)C1=O 1176832410 BNRWDDGQQQRTQY-HDAKKWKLSA-N 457.552 2.344 30 10 JEEE C=CCn1c(S)nc2cc(C(=O)N[C@H]3CCN(c4cnnc(O)c4Cl)C3)ccc2c1=O 1180287341 RZDRZNPHXXQQLI-LBPRGKRZSA-N 458.931 2.029 30 10 JEEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1286318145 YHODIDMVTHAPSK-AZUAARDMSA-N 455.584 2.209 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCN(CCC)C1)[C@H]1CCS(=O)(=O)C1 1286383410 MLXBEZKGZZBBGI-IRLDBZIGSA-N 466.611 2.175 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1C[C@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1286385054 LERZVTHYCWBDEY-GSHUGGBRSA-N 464.563 2.345 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CC[C@@](C)(CC)O1)[C@@H]1CCS(=O)(=O)C1 1286392071 HQQFZTFAQOEPPQ-NXWNEQKCSA-N 450.605 2.147 30 10 JEEE C#CCSCCn1c(COc2ccc(F)cc2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1286510137 JWRJDWXKZFCYJC-UHFFFAOYSA-N 495.584 2.183 30 10 JEEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2cccc(Cl)c2)CC1 1286585420 GBJQJXLEQRBPEM-OAHLLOKOSA-N 466.995 2.080 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC[C@@H](C(=O)NC)C1 1286783615 WTVHKZIPQIZPEQ-MRXNPFEDSA-N 475.391 2.281 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](CC)c2ccccc2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1286817903 QCIXOTSWCIJCNG-OALUTQOASA-N 459.572 2.062 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1286822021 YEHUXWLLBLWBRT-HSZRJFAPSA-N 494.061 2.424 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1286823309 UHXUQUXBEGWKEU-FQEVSTJZSA-N 490.655 2.250 30 10 JEEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1Cc1cccnc1-n1cccn1 1288724535 BFESYRWCFWISFZ-KRWDZBQOSA-N 476.566 2.315 30 10 JEEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1Cc1cccnc1-n1cccn1 1288724540 BFESYRWCFWISFZ-QGZVFWFLSA-N 476.566 2.315 30 10 JEEE CCCN(C)C[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2COCCO2)C1 1294469659 DVGIUOXDGXHTQS-IRLDBZIGSA-N 454.575 2.312 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1CC1(O)CCS(=O)(=O)CC1 1300272267 AOQKEKTWPHDUJT-ZWKOTPCHSA-N 476.599 2.214 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2CC2(CS(C)(=O)=O)CC2)c1 1300333671 BJGTYOLAPZBFOC-UHFFFAOYSA-N 492.605 2.145 30 10 JEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)c2cc(C)oc2C)CC1 1300409312 HJLJYUDVPYUWQR-GOSISDBHSA-N 473.599 2.202 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@H](OC)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1300501882 NYWVVUNVNDNGDP-YADHBBJMSA-N 482.610 2.154 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1CCCCn1cc(Br)cn1 1300553784 SGUZHDOVTUQCCG-UHFFFAOYSA-N 460.380 2.319 30 10 JEEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1(C(=O)N(C)C)CCCC1 1300619169 STKWUBIUULJPQT-UHFFFAOYSA-N 471.631 2.346 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@]1(C)CN(C)C1=O 1300641540 BZQTXCHZTFDUNY-DNQXCXABSA-N 455.534 2.187 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccccc2-n2nc(C)cc2C)CC1 1300681526 SPIBLGKFDIMVOK-UHFFFAOYSA-N 460.586 2.022 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H](C)CNC(=O)OC(C)(C)C)CC1 1300685917 UZIWZBHZDMXPFS-CPJSRVTESA-N 490.649 2.235 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C)Oc2ccccc2)CC1 1300711843 IWJLMPOZCYLXCS-LJQANCHMSA-N 487.564 2.359 30 10 JEEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@H](NC(=O)CCC)C1 1300756753 SFYNSHBFOZBRCN-INIZCTEOSA-N 458.588 2.257 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(OCC(N)=O)CC1 1300875332 MXMNPJJWCWQYQH-OXJNMPFZSA-N 460.966 2.445 30 10 JEEE C=C(C)CN(CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1300895570 STADSQOAYJOYGR-QFIPXVFZSA-N 461.588 2.099 30 10 JEEE C=C(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CC(=O)N(C)C)CC1 1300970267 NAUAZRUMLLOHDV-SFHVURJKSA-N 461.611 2.136 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCO[C@@H]2C(C)C)CC1 1301126525 WCWQEEGGJJQGQX-HSALFYBXSA-N 467.636 2.075 30 10 JEEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1301188635 LTLLHRZNAQHYKX-INIZCTEOSA-N 463.564 2.483 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCOC[C@H]1OC 1301338323 VRSIWWZPSTXYJW-SESVDKBCSA-N 455.559 2.482 30 10 JEEE C=CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1301451802 AMXDMELOOUVVTD-IAGOWNOFSA-N 473.578 2.051 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CCN(c2cnn(C)c2)CC1 1301482830 DAKWJOHQRLLLKR-UHFFFAOYSA-N 485.390 2.070 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cccc(Br)n2)C1 1301555300 AXAQOCACIAGHSR-ZBFHGGJFSA-N 482.404 2.167 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1301568325 RDJMZKVMYLFZAR-LJQANCHMSA-N 497.625 2.475 30 10 JEEE COC(=O)c1cc(NC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c(OC)c(OC)c1 1310371228 GYHXVOJXFFDBNG-QGZVFWFLSA-N 452.467 2.285 30 10 JEEE C#CCCCn1c(N2CCC[C@@H](n3ccc(C(=O)NC)n3)C2)nnc1[C@]1(OC(C)C)CCOC1 1358936866 ZVLSFAWIHFWQQU-DVECYGJZSA-N 469.590 2.130 30 10 JEEE C#CCN(c1nnc(-c2ccc(Br)s2)n1C[C@@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1358958908 YHDQYHYSAXLCEA-CHWSQXEVSA-N 473.418 2.431 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCCCCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1358962334 OBAZCALFIXGZQO-LEWJYISDSA-N 463.648 2.413 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)nc2)n1CCNS(=O)(=O)c1ccc(C)s1 1358974098 QTZFMLJYLJKLHU-UHFFFAOYSA-N 474.999 2.415 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H](C)N1CCN(CC)CC1 1358974198 VFTKZGLJVIJZSO-HXUWFJFHSA-N 450.587 2.061 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1CN(C)C(C)C 1358978799 UWDGJNBZKRULHX-QFIPXVFZSA-N 453.612 2.142 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCCc3cc(OC)ccc32)CC1 1359028093 HCXLEGSVGQNQRW-FQEVSTJZSA-N 450.587 2.300 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@@H](C)Oc2ccc(OC)cc2)CC1 1359043944 OQEVLZONZJPNHQ-GOSISDBHSA-N 475.553 2.177 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)Cc2ccccc2C)CC1 1359132025 LASHJPZXMXYSIV-NRFANRHFSA-N 466.586 2.022 30 10 JEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)NC2CCCCC2)CC1 1359132425 XGXDAFJPWOITDC-HXUWFJFHSA-N 473.622 2.423 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC(C(=O)NCc2ccc(F)cc2)CC1 1359297050 CORVLTZFBLXMSV-UHFFFAOYSA-N 479.560 2.258 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC[C@@H](COC)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1359305823 NVOIHOIKOHIZNM-KURKYZTESA-N 462.595 2.214 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H]2CCOC2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1359309956 IHVKUEZZPUWTMC-IBGZPJMESA-N 475.615 2.255 30 10 JEEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCCN(c2nc(C)ns2)CC1 1359336293 KXGNJPAYQBVZQL-UHFFFAOYSA-N 450.638 2.212 30 10 JEEE CC(=O)N1CCN(CCn2c(CC(C)C)nnc2N2CCCN(Cc3ccc(C#N)cc3)CC2)CC1 1359401773 COONKPJDDKDMLP-UHFFFAOYSA-N 492.672 2.225 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc(Cc2ccncc2)n1CC(=O)N1CCN(c2ccccc2)CC1 1359475196 FNXYBZVHNOMVSN-FQEVSTJZSA-N 458.570 2.209 30 10 JEEE CC(C)(C)OC(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](CC(N)=O)C1 1359572928 CGMRAJDZROASFY-QGZVFWFLSA-N 453.547 2.433 30 10 JEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)NC[C@@H](C)CN1CCN(C)CC1 1443424384 CXGMHFFQTKCBRX-OAHLLOKOSA-N 453.381 2.098 30 10 JEEE CCn1c(CCC(=O)NCCc2ccc(C#N)cc2)nc2cc(S(=O)(=O)N(C)C)ccc21 1461527291 CIXOWGAZCIHURK-UHFFFAOYSA-N 453.568 2.470 30 10 JEEE CC(C)(C)OC(=O)CNC(=O)CN1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 1473352095 CUATUXGULVGSQC-KRWDZBQOSA-N 451.365 2.089 30 10 JEEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2nc3c(s2)C[C@H](c2ccccc2)CC3)CC1 1476491201 NKAFSLQBPMEXIS-QGZVFWFLSA-N 459.597 2.033 30 10 JEEE CCCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1501141968 CHJLCDYSLZFNMD-CJAUYULYSA-N 482.585 2.011 30 10 JEEE COCCN(CCC#N)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(N2CCOCC2)CCSC1 1504883310 HKGWIFZTOQCHFL-DEOSSOPVSA-N 481.626 2.391 30 10 JEEE CS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2cccs2)CC1 1505134448 FUIXEYYCOKZSQS-UHFFFAOYSA-N 472.596 2.161 30 10 JEEE N#CCC1CCN(c2nnc(-c3ccccc3)n2CCNS(=O)(=O)Cc2ccon2)CC1 1505322935 AVWKEYQVQLPSBW-UHFFFAOYSA-N 455.544 2.183 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@H]1N(C)CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1507634049 IKYKUNSTVIOHKG-WOJBJXKFSA-N 490.699 2.381 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(C)n(C)c1=O 1507691286 DDLKRCNYMSUWNS-IBGZPJMESA-N 470.574 2.101 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)nc1 1507701583 LEABSQXPPIEMFI-IBGZPJMESA-N 469.542 2.411 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cn(C)c3ccccc23)n1CCCN1CCC(O)CC1 1507708091 CMVBVVYDNFXBSW-UHFFFAOYSA-N 450.587 2.370 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@H]2CC(=O)N(CCOC)C2)CC1 1507734625 RGJLTGSBDDTWPM-SFHVURJKSA-N 499.015 2.059 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCCc2cc(OC)ccc2OC)CC1 1507738315 NALIHSZJSUJZFT-UHFFFAOYSA-N 491.596 2.294 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1507809232 IPZYURKUOUEVQJ-PXNSSMCTSA-N 455.625 2.046 30 10 JEEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1507928612 HPRNARMRVFVNCU-UHFFFAOYSA-N 471.650 2.395 30 10 JEEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ccc(N2CCOCC2)nc1 1507973297 YRKHNNVLGFVMSI-UHFFFAOYSA-N 497.625 2.098 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C(F)(F)F)cc2)CC1 1508073382 WSGWZVMRVYLXLE-UHFFFAOYSA-N 479.507 2.064 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 1508097777 URORHMAMGIVNLO-NVXWUHKLSA-N 473.965 2.335 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCN2CCOC[C@H]2C)C1 1508110755 UTJZXGCSEGCICP-NQIIRXRSSA-N 489.020 2.364 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CC[S@@](=O)CC)C1 1508120014 XLGJLPHXUOZYQN-GTOJURISSA-N 470.599 2.225 30 10 JEEE CCOC1CC(O)(Cn2c(CNC(=O)c3cccs3)nnc2N2CCC(CC#N)CC2)C1 1516400926 HBOMJYVDTSGFNG-UHFFFAOYSA-N 458.588 2.330 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OCC)CCOC3)n2C[C@@](C)(O)CC)c1 1539040267 PIKHHIDEMIADLX-BJKOFHAPSA-N 455.559 2.147 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)NCCCCn2cc(Br)cn2)ccc1F 1539188867 YXYWYGVXDZRZMP-UHFFFAOYSA-N 459.341 2.459 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1CC1CCN(CCC)CC1)[C@H]1CCS(=O)(=O)C1 1539210306 CMCUOYCGVMFIIN-FQEVSTJZSA-N 456.616 2.089 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1CCN(CC)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1539212720 XHXGWYIFMCWUSL-SFHVURJKSA-N 490.630 2.167 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCN(C)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1539221548 PSMQISOOYRFKMO-NHCUHLMSSA-N 463.648 2.411 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2cccc(C(C)(C)O)c2)CC1 1539466983 KVVMCEROAFTFPL-UHFFFAOYSA-N 494.640 2.438 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@](C)(O)c2ccccc2)CC1 1539468607 GDATYTRXYIBLMT-SXOMAYOGSA-N 495.624 2.192 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Cl)cc2)n1CCNS(=O)(=O)CC 1539566727 PATDVDKDZXPYMT-HXUWFJFHSA-N 451.980 2.442 30 10 JEEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1539612318 KTKORNORXCVLMU-ZNMIVQPWSA-N 469.340 2.180 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCOc2ccc(C)cc2)CC1 1539848786 RFDWWUIVCUBVSM-HXUWFJFHSA-N 461.588 2.155 30 10 JEEE C=CCCCCn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1539968494 VIMMIQYVHDXXMQ-UHFFFAOYSA-N 450.587 2.461 30 10 JEEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(c2ncccn2)CC1 1539985242 HUHYNPNUPMWAGB-UHFFFAOYSA-N 453.572 2.431 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(O)CCOCC1 1540136578 IUTCTRUWJZVIBV-SFHVURJKSA-N 464.563 2.053 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1540866445 NNWDRWWJWANRTK-KRWDZBQOSA-N 462.957 2.341 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCC(C(=O)OC)CC1 1540866689 WVBNSFCVCZCMEN-UHFFFAOYSA-N 492.374 2.408 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(C(=O)NC)CC1 1540897367 HOTYPZKEAFCOBO-MRXNPFEDSA-N 497.021 2.134 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1540908527 XXZGTIVACQIPOA-HXUWFJFHSA-N 474.562 2.068 30 10 JEEE CC(C)(O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1541246819 CWLSTHAVBDIOQV-UHFFFAOYSA-N 474.569 2.280 30 10 JEEE C[C@H](CC#N)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CC1(O)CCS(=O)(=O)CC1 1541801700 BBFVISDVOXWYQH-MRXNPFEDSA-N 470.555 2.278 30 10 JEEE Cc1ccc(NC(=O)c2nnc(N3CCC(CC#N)CC3)n2C[C@@]2(O)CCN(C)C2)cc1C 1542423910 CHDMAVUMFZQXTO-XMMPIXPASA-N 451.575 2.344 30 10 JEEE CC[C@H](C)[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(NS(C)(=O)=O)CC1 1545251075 ARCMLQNZQFEXJL-KSFYIVLOSA-N 460.604 2.132 30 10 JEEE COc1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)cn1 1554931315 ASVUXCMJOBIUJH-LJQANCHMSA-N 452.540 2.282 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CC(F)(F)CO1 1587567631 IEIDRTIHAOCQKT-ZFWWWQNUSA-N 452.531 2.429 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(COC)CCC2)c1 1587693963 YGJVUMWOHSQFEA-LJQANCHMSA-N 485.610 2.053 30 10 JEEE C#CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1587769571 JOVPKMCTXBXSAN-QRVBRYPASA-N 472.590 2.105 30 10 JEEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1Cc1ccc(-n2cncn2)nc1 1587926930 MRACDZZTCVHDNE-UHFFFAOYSA-N 452.320 2.140 30 10 JEEE C#CCN(c1nnc(C(C)C)n1C[C@H](C)N1CCc2ccccc2C1)[C@H]1CCS(=O)(=O)C1 1588030352 SWQILVXDRUPYBJ-UGKGYDQZSA-N 455.628 2.475 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCSCC)CC1 1588899890 ZNPOTGIDSWERST-UHFFFAOYSA-N 489.667 2.458 30 10 JEEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 1594615975 MORPEUBQDUJKFK-MOPGFXCFSA-N 464.636 2.416 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CC[C@@](O)(c2ccccc2F)C1 1595785372 YMGZVZIORFZCNA-QFIPXVFZSA-N 459.547 2.121 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1cc(Br)cs1 1595789408 SDBJYWUKAAUQHI-CQSZACIVSA-N 488.433 2.290 30 10 JEEE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3cccc(C#N)c3)n2CCCO[C@@H]2CCOC2)C1 1595976524 FSGRYGHNIQTXIJ-RBBKRZOGSA-N 452.559 2.317 30 10 JEEE C#CCN(C)CCCNC(=O)N1CC[C@@H](c2ccc(OC)c(F)c2)[C@@H](NC(=O)C(F)(F)F)C1 1635738535 NKNXMEZFGMODKL-WMZOPIPTSA-N 472.483 2.335 30 10 JEEE C#CC[C@@H]1CCN(CC(=O)NCCN2C(=O)/C(=C\c3ccc4c(c3)OCO4)SC2=S)C1 1655562604 KCBZRONIQKZDAF-SKCQWOFPSA-N 457.577 2.078 30 10 JEEE C[C@@H](NCC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)c1ccc(N2CCNC2=O)cc1 1659120981 IAZQKPFNMJKRPR-XLIONFOSSA-N 452.584 2.337 30 10 JEEE C=CCCn1cc(CN2CC[C@H]3[C@@H](C2)NC(=O)N3C2CCN(C(=O)OC(C)(C)C)CC2)nn1 1665001246 ZXUJGRSTXQAJDW-UXHICEINSA-N 459.595 2.222 30 10 JEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H](C)Cn2ncc3ccccc3c2=O)cc1 1673394260 ZNTVNSSUXVZQIX-MRXNPFEDSA-N 455.540 2.413 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1CCN(C(C)=O)CC1 1689852825 LDNBUHXMDQQXKM-XLIONFOSSA-N 474.606 2.303 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H](C)CN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1689982460 NOPBVUYSXRVRLL-WIYYLYMNSA-N 486.598 2.212 30 10 JEEE C#CCN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1CC1CCN(CCN(C)C)CC1 1690073613 AHRKJPPSBBXONZ-UHFFFAOYSA-N 462.602 2.327 30 10 JEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](CC)NC(=O)OC(C)(C)C)CC1 1690132621 UESBJHGDYKDRBG-FQEVSTJZSA-N 470.622 2.198 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C(C)C)C1 1690247101 ZWFPKNVISCJHKD-WOZUAGRISA-N 481.663 2.465 30 10 JEEE C=C(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1690278973 ZOBAGOYOTOMYOO-UTKZUKDTSA-N 453.547 2.418 30 10 JEEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1690316058 UZLHXHIEAVRKOJ-HXUWFJFHSA-N 464.574 2.254 30 10 JEEE C=CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1690642550 VJKWKCLBCPZXKD-OALUTQOASA-N 487.649 2.368 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC[C@@H]1c1nncn1C 1690665652 LCCNPGAOAMEXGI-QGZVFWFLSA-N 466.546 2.125 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC(N(CC)CC)CC1 1690669250 ZGCCFGYBSGPICU-UHFFFAOYSA-N 492.628 2.288 30 10 JEEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 1690742721 YZCHPWTXUQQKOZ-GOSISDBHSA-N 458.563 2.136 30 10 JEEE CO[C@@H]1COCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](CNC(C)=O)C1 1697697713 BNGDITRVKDJQFV-CEMLEFRQSA-N 452.559 2.221 30 10 JEEE N#Cc1ccc(-c2nnc(N3CCC[C@@H](CC(N)=O)C3)n2C[C@H](N2CCOCC2)C(F)(F)F)cc1 1698487135 BKXPYEMFVZKNOZ-HKUYNNGSSA-N 491.518 2.172 30 10 JEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C1CCN(C(=O)c2ccccc2)CC1 1705533492 XZQSMIUINFPLLE-HXUWFJFHSA-N 469.611 2.335 30 10 JEEE C#CCN(c1nnc(C2CCC2)n1Cc1cc(OC)c(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1705567203 UEJOTNAXGDYPOK-GOSISDBHSA-N 474.583 2.246 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCO[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1705569155 CUDKFRLXSLJNCV-SZVBFZGTSA-N 463.629 2.076 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ncn(-c2ccccc2)n1 1705589503 RTNWTDDMMYXIFE-UHFFFAOYSA-N 451.494 2.017 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2CCCN2C[C@H](C)O[C@@H](C)C2)CC1 1705650801 ZQFJDIOEHRXWLU-SFTDATJTSA-N 496.631 2.473 30 10 JEEE C#CCSCCn1c(COc2ccccc2CC)nnc1N1CCCN(S(C)(=O)=O)CC1 1705665689 AREUIMUCVMXCMZ-UHFFFAOYSA-N 477.656 2.258 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCC[C@@H](C(N)=O)C1 1705906522 HWCVWGXVMFGYGS-GOSISDBHSA-N 454.575 2.293 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CC[S@@](=O)C(C)(C)C 1712442579 BWNBVOYEMHDAEG-DUTUXMCTSA-N 472.615 2.301 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCCCS(C)(=O)=O 1722290647 AVGOIUBJDWSNII-KRWDZBQOSA-N 470.599 2.348 30 10 JEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1722317887 YBPNUOVNAZEGKG-LJQANCHMSA-N 473.574 2.085 30 10 JEEE C#CCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1722336940 STTTVMDNEOFSGQ-UHFFFAOYSA-N 456.978 2.109 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(F)cn1)[C@@H]1CCS(=O)(=O)C1 1722361979 LJTLKXNIUXYYDT-HXUWFJFHSA-N 450.499 2.026 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCC[C@@H]1OC 1722375100 JTGCGGKXABTOLI-CTNGQTDRSA-N 455.584 2.083 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1722386730 JDWBRPMQBIMANI-NRFANRHFSA-N 481.564 2.302 30 10 JEEE C#CCN(CC)c1nnc(COc2ccc(Cl)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1722415503 NTNMOOBEULXPBW-QGZVFWFLSA-N 451.980 2.394 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(NC(C)=O)nc1 1722421999 PPPLEJLEJMMGRV-HXUWFJFHSA-N 496.568 2.361 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2csc([C@H](C)OC)n2)CC1 1722429553 NJWBUPKCJYSDOF-INIZCTEOSA-N 459.620 2.164 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCN(C)C2CCCCC2)CC1 1722433794 GKRYPWJVBXSCSO-UHFFFAOYSA-N 484.670 2.368 30 10 JEEE C=C(Br)Cn1c([C@H]2CCOC2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1722484419 VQADKGURTCOYRO-ZWKOTPCHSA-N 453.429 2.295 30 10 JEEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)Cc2cccc(OC)c2)CC1 1722534939 STIKCRDBSBPJCP-UHFFFAOYSA-N 479.585 2.171 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCC[C@H]2CCCCO2)CC1 1722566725 XUAIWVPZHSHLIM-MOPGFXCFSA-N 453.609 2.117 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N(C)C1CCC2(CC1)OCCO2 1722688280 AJUHOPSHBMPEHA-UHFFFAOYSA-N 493.406 2.470 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 1722696907 UNFAFEWTUQBXHX-UHFFFAOYSA-N 476.585 2.496 30 10 JEEE C=CCOc1ccc(Cn2c(N3CC(=O)N(C)[C@@H](C)C3)nnc2[C@@]2(OCC)CCOC2)cc1 1722704018 AHFWMVMBUXWCKM-MHECFPHRSA-N 455.559 2.210 30 10 JEEE C=CCOc1ccccc1Cn1c(Cc2ccncc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1722707851 AONKPWRFRZTLGE-JOCHJYFZSA-N 462.554 2.218 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccc(CN3CCO[C@@H](C)C3)c2)C1 1722708672 BBAXUTFQODHZPW-NZQKXSOJSA-N 482.629 2.467 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(NC(=O)N(C)C)cc2)C1 1722709172 KJZROMFXRZANLY-LJQANCHMSA-N 455.563 2.339 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1722728152 UOOVKKLJHZNEIT-SFHVURJKSA-N 469.608 2.035 30 10 JEEE CC(C)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(S(C)(=O)=O)CC2)[C@@H](C)C1=O 1723454570 AMTWYEQFZZFMNM-KRWDZBQOSA-N 470.599 2.087 30 10 JEEE C[C@H](Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@H](C)CC#N)N1CCN(c2ccccc2)CC1 1723808701 CHCBZCZEIOIAIM-NHCUHLMSSA-N 464.618 2.463 30 10 JEEE CCCOc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCN2CCOC[C@@H]2C)cc1OC 1728216653 FDWVHSPYLXOGJG-ICSRJNTNSA-N 470.574 2.192 30 10 JEEE C#CCCCn1c(COc2ccc(Br)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1740594965 GXOPOEJIHUNVCV-LJQANCHMSA-N 476.375 2.374 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(Br)cn2C)n1Cc1cnn(CCOC)c1 1740647737 ZMTDZQFROCKRCI-UHFFFAOYSA-N 470.375 2.400 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(=O)N(C)C1CCCCC1 1740669030 JWVMWIDQYJBIJC-UHFFFAOYSA-N 461.570 2.443 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1nncn1C 1740676895 BDTWPFSDSCQQGV-QHCPKHFHSA-N 453.522 2.274 30 10 JEEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCCCN1CC 1740684009 UFYWAJAKHRVCCF-IBGZPJMESA-N 473.647 2.199 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H](C2CC2)N(C)C)CC1 1740695006 ZVCTURWFTHSRFP-FCHUYYIVSA-N 485.677 2.488 30 10 JEEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](c2ccc(F)cc2)C1 1740717022 HEYRDHMHKUREDS-AZUAARDMSA-N 493.630 2.110 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)c2ccsc2)CC1 1740717147 KUCQTROOZWMOFB-KRWDZBQOSA-N 493.680 2.007 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1740964063 GBCIFROKMZPEKB-HXOBKFHXSA-N 459.522 2.073 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(CCC)C(=O)C1 1740969931 XUELDLUNHZSVDZ-IBGZPJMESA-N 452.559 2.291 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2ncn(C)n2)C1 1740985045 AQWSAFWAZRQKER-BBWFWOEESA-N 458.567 2.007 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1740988337 AZZWNMLQSXSGBB-HXUWFJFHSA-N 470.599 2.303 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@H](c2nnc(N3CCO[C@H](C#N)C3)n2CCN2CCSCC2)C1 1741213230 AZMWBJNYJLHDSD-RBUKOAKNSA-N 491.662 2.170 30 10 JEEE Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)CC#N)n2C[C@@H]2C[C@H](F)CN2Cc2nccn2C)n1 1742678363 HXNHCRGXXAYWKQ-HOJAQTOUSA-N 468.585 2.224 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2CCN2CCOCC2(C)C)c1 1748691776 MLXNCHSEGFFSIG-UHFFFAOYSA-N 475.597 2.451 30 10 JEEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1748703086 IHJSCIJGLQOCAU-HXUWFJFHSA-N 493.655 2.012 30 10 JEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1ccc(C(C)(F)F)cc1)[C@H]1CCS(=O)(=O)C1 1748802079 KTXWDEKZLWTQIL-IBGZPJMESA-N 491.564 2.301 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1cc(F)ccc1F)[C@H]1CCS(=O)(=O)C1 1748818774 GDJKEASBFXRQHQ-IBGZPJMESA-N 457.506 2.217 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCCn1ccnn1 1748887181 WVBNRIKGRJTWRL-UHFFFAOYSA-N 469.553 2.210 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(CC)cc3)n2CC2(CS(C)(=O)=O)CC2)CC1 1749006859 ZIIANGRUDFPSKU-UHFFFAOYSA-N 483.638 2.298 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1CC1(NC(=O)OC(C)(C)C)COC1 1749055922 QIMZAWREHZGKJZ-ISKFKSNPSA-N 475.590 2.216 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CCOC)C(=O)C1 1749122481 WNVCPXZDXZMAIL-RBBKRZOGSA-N 450.543 2.093 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(N(CC)CC)CC1 1749129959 IVWFIQUBMJFJKR-ZJOUEHCJSA-N 465.664 2.472 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1-c1cnn(C)c1 1749574743 DHRQTFFCKWJAHU-QFIPXVFZSA-N 497.625 2.238 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)N1CCc2ccccc21 1749575566 UIAWAKUCQYLEPL-SIKLNZKXSA-N 486.642 2.241 30 10 JEEE C=CCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1749633854 QRINHQDCKRCSHA-INIZCTEOSA-N 456.572 2.435 30 10 JEEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1749667412 ZWVHAMJYWCEAMZ-INIZCTEOSA-N 492.584 2.027 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1749729834 TZQGIWCDRRCMIS-IBGZPJMESA-N 477.606 2.234 30 10 JEEE CC(=O)N[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C(C)C)N2CCOCC2)C1 1749949113 ACYXCRWGSZSHEC-ISKFKSNPSA-N 495.628 2.190 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCOc1cc(C)cc(C)c1)[C@@H]1CCS(=O)(=O)C1 1760189963 SMHGZDBCVQUDNM-HXUWFJFHSA-N 468.583 2.001 30 10 JEEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1CCc1cn[nH]c1)[C@H]1CCS(=O)(=O)C1 1760192294 SLXAASSFLSMPAT-SFHVURJKSA-N 474.974 2.103 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCN1CCCC1 1760203465 FVYDYCMWRXWZOX-FQEVSTJZSA-N 456.591 2.145 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(C[S@@](C)=O)cc2)CC1 1760270341 VMTNZJSTNSPTQP-XSJBNIOMSA-N 483.638 2.065 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2Cc2cccc(C(=O)NCCC)c2)CC1 1760271702 HOQVAUBUEUDCLI-UHFFFAOYSA-N 462.598 2.385 30 10 JEEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCOC2(CCOCC2)C1 1760312668 BZJLWJSLRZXOMM-HOTGVXAUSA-N 457.369 2.297 30 10 JEEE C=C(C)Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 1760350172 XVGXERMVNMMFFO-SFHVURJKSA-N 468.649 2.087 30 10 JEEE C=CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@H](S(C)(=O)=O)C1 1760437790 ODINNMKUGHIRFI-INIZCTEOSA-N 456.572 2.264 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1760518577 BNSYKAGZWMTZKV-UHFFFAOYSA-N 490.612 2.190 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 1760519375 BGGPNKNOLPFKLD-QFBILLFUSA-N 465.558 2.468 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(C)(C)c2ccc3c(c2)OCO3)C1 1760535002 JZBJFHNROWENAC-FUHWJXTLSA-N 491.614 2.376 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CC[C@H](c2cnn(C)c2)C1 1760552436 NQTRTZVRAZYIMH-KRWDZBQOSA-N 456.572 2.282 30 10 JEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N(C)Cc1ccccc1Br 1760557916 ZYVBMRHXIPCMNQ-UHFFFAOYSA-N 496.431 2.400 30 10 JEEE C/C(=C/c1ccccc1)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1CCN/C(O)=C1\N=CC=CC1=O 1760570043 FLABFGDSBABFBR-VLNRSJFESA-N 475.553 2.295 30 10 JEEE CC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1)OC 1764280887 AKPMKRNQXNTKSY-UXHICEINSA-N 488.614 2.158 30 10 JEEE CC[C@H]1CCCCN1CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)COC)CC1 1765096210 CINKEKSLCPUEHJ-QFIPXVFZSA-N 465.602 2.376 30 10 JEEE CCCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCO[C@H]2C)CC1 1766204405 BJMZSBAKENSFGL-XDHUDOTRSA-N 452.559 2.099 30 10 JEEE C=CCN(CC=C)C(=O)c1cc2c(NCCN3C(=O)CSC3=O)ncnc2n1CCCOC 1875223195 ZVYHPPHCJQXXAX-UHFFFAOYSA-N 472.571 2.389 30 10 JEEE CO[C@H]1CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C[C@H]1NC(=O)OC(C)(C)C 2255706493 JWIGRGBAOHKPOK-KGLIPLIRSA-N 452.382 2.411 30 10 JEEE C[C@@H](NC(=O)c1ccsc1B1OC(C)(C)C(C)(C)O1)C1(O)CN(C(=O)OC(C)(C)C)C1 2255797795 LRZHPJXLBNZUNU-CYBMUJFWSA-N 452.382 2.147 30 10 JEEE C=C(CS(=O)(=O)NC1(CNC(=O)OC(C)(C)C)CCOCC1)B1OC(C)(C)C(C)(C)O1 2255798827 ABIBHLGTHKGSPT-UHFFFAOYSA-N 460.402 2.167 30 10 JEEE CC(C)(C)OC(=O)NCC(F)(F)CNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2255951303 CIFQGNFMZVWKPL-UHFFFAOYSA-N 482.380 2.486 30 10 JEEE C[C@@H](c1cc(B2OC(C)(C)C(C)(C)O2)cs1)N(C)C(=O)[C@@H](CO)NC(=O)OC(C)(C)C 2256614882 PWHPXRQNFIOLJW-DZGCQCFKSA-N 454.398 2.452 30 10 JEEE CN(C(=O)c1coc(B2OC(C)(C)C(C)(C)O2)c1)[C@]1(CNC(=O)OC(C)(C)C)CCOC1 2267011523 GXSTYADJAZRSHZ-QFIPXVFZSA-N 450.341 2.335 30 10 JEEE CN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1)[C@]1(CNC(=O)OC(C)(C)C)CCOC1 2267154772 ZORWAQZZBUEFRG-NRFANRHFSA-N 467.397 2.198 30 10 JEEE CC(C)(C)OC(=O)N1CCC(N(CC(N)=O)C(=O)C2(B3OC(C)(C)C(C)(C)O3)CC2)CC1 2267182417 GHRMPZXVIHIAOM-UHFFFAOYSA-N 451.373 2.326 30 10 JEEE CC(C)(C)OC(=O)N1CC=C[C@@H](NS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2267472314 OGTUOFFVSIIINM-CQSZACIVSA-N 485.437 2.037 30 10 JEEE CC1(NC(=O)OC(C)(C)C)CN(S(=O)(=O)c2ccc(F)c(B3OC(C)(C)C(C)(C)O3)c2)C1 2267724353 ILBYNCMIZQKXGL-UHFFFAOYSA-N 470.372 2.413 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)Nc1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2268654809 DVEBXYBLHIXXAC-PBHICJAKSA-N 450.316 2.434 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@@H](COc3cccc(B4OC(C)(C)C(C)(C)O4)n3)O[C@@H]2C1 2281458416 PMISZVWRDRUWSX-YESZJQIVSA-N 462.352 2.163 30 10 JEEE Cn1ncc(C(=O)NC2C[C@@H]3CC[C@H](C2)N3C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2281811220 AYODHVKOEQHCQR-MQVJKMGUSA-N 460.384 2.380 30 10 JEEE Cn1ncc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)[C@@H]3CCC[C@@H]23)c1B1OC(C)(C)C(C)(C)O1 2281816678 ZZPPULWFYMQPPW-USXIJHARSA-N 460.384 2.237 30 10 JEEE CN(CC1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)CC1)C(=O)OC(C)(C)C 2281980207 IYQLMSDOLZOILS-UHFFFAOYSA-N 462.400 2.438 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)[C@]2(CCOC2)C1 2282005587 QETIQWOASIMVET-RCDICMHDSA-N 479.408 2.341 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1C[C@@H]2[C@H]1CCN2C(=O)OC(C)(C)C 2282006863 ZAXPTAJMQAOENB-ARFHVFGLSA-N 460.384 2.155 30 10 JEEE CN(Cc1ccccc1)[C@@]1(CNC(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CCOC1 2282090546 AOADYJJHHFXCAD-RUZDIDTESA-N 451.376 2.402 30 10 JEEE C[C@H]1[C@H](NC(=O)C(F)(F)F)CCCN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2282345927 RYNBIYLHJYXMSU-XJKSGUPXSA-N 476.326 2.206 30 10 JEEE Cc1nc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2CO)c(B2OC(C)(C)C(C)(C)O2)s1 2282511805 DMOLODIYTMYRII-HUUCEWRRSA-N 481.424 2.098 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@]2(C1)CN(C(=O)c1coc(B3OC(C)(C)C(C)(C)O3)c1)CCO2 2282532055 RVQRTHZVGCDYJM-HSZRJFAPSA-N 462.352 2.431 30 10 JEEE Cc1c(C(=O)N2C[C@H](CNC(=O)OC(C)(C)C)[C@@H](C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282555020 MQWUCIMWGYDEHZ-HOCLYGCPSA-N 462.400 2.261 30 10 JEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC12COC(CNC(=O)OC(C)(C)C)(C1)C2 2282557386 UYCHGQDISQZONU-UHFFFAOYSA-N 462.352 2.443 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCCO[C@@H]2[C@H]1NC(=O)c1ccoc1B1OC(C)(C)C(C)(C)O1 2282631789 BHNASVJHLXVQRW-ORQFMDKSSA-N 462.352 2.379 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CNC(=O)c3nccnc3B3OC(C)(C)C(C)(C)O3)C[C@H]21 2283071240 CEIOUFAJYSEGDI-BZUAXINKSA-N 458.368 2.151 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1Cc2cccc(B3OC(C)(C)C(C)(C)O3)c2C1 2283957422 YAAGEXZEHIZMNV-APWZRJJASA-N 458.364 2.198 30 10 JEEE CC(C)(C)OC(=O)N1C[C@]2(C(=O)N=c3nc(B4OC(C)(C)C(C)(C)O4)[nH]s3)CCC[C@]2(F)C1 2284051506 OXPSDYQROMYLQN-SFTDATJTSA-N 482.387 2.327 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1)[C@@H](O)C(C)(C)C 2284062129 ISSZCVRDORFJKE-HUUCEWRRSA-N 483.440 2.359 30 10 JEEE CC(C)(C)OC(=O)N1CC(O)([C@@H](F)C(=O)Nc2ccc(Cl)c(B3OC(C)(C)C(C)(C)O3)n2)C1 2284062589 MCPSPQNMWUYLNO-AWEZNQCLSA-N 485.749 2.293 30 10 JEEE CN(CC1(O)CN(C(=O)OC(C)(C)C)C1)c1ccc([N+](=O)[O-])c(B2OC(C)(C)C(C)(C)O2)c1 2287320089 LKYSIGNRWXCOER-UHFFFAOYSA-N 463.340 2.312 30 10 JEEE C[C@@H](C#CC(=O)NCc1nn(C)c(Cl)c1I)NC(=O)OC(C)(C)C 2302424609 XZAOCFZIIOBZRW-VIFPVBQESA-N 466.707 2.211 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)NC[C@H]1C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C1 2310243650 CKBINWYDCCXHQG-YYIAUSFCSA-N 454.568 2.354 30 10 JEEE C=CCN1C(=O)C(=Cc2c(N3CCC(C(N)=O)CC3)nc3ccc(C)cn3c2=O)SC1=S 2314399643 AOOOCSRKHXGUGD-UHFFFAOYSA-N 469.592 2.092 30 10 JEEE C=CCSc1nnc(CCOC)n1N=Cc1ccc(OCCN2CCOCC2)c(OC)c1 2331294512 ZULRGTFJNRCPGR-UHFFFAOYSA-N 461.588 2.347 30 10 JEEE CN(C)CCN(CCNC(=O)OC(C)(C)C)c1cc(B2OC(C)(C)C(C)(C)O2)c(F)cn1 2345724732 OASCFPVIRZKIPP-UHFFFAOYSA-N 452.380 2.413 30 10 JEEE N#C[C@H]1C(=O)Nc2nc(N3CCC(C(N)=O)CC3)[nH]c(=O)c2[C@H]1c1ccc(OCc2ccccc2)cc1 72443835 ONPXGLJDEGBMBQ-RTWAWAEBSA-N 498.543 2.274 30 10 JEEE COc1ccc([C@@H]2/C(=C(/O)c3ccc([N+](=O)[O-])cc3)C(=O)C(=O)N2CCOCCO)c(OC)c1 102562716 GRVREKHMZFGVMX-GOBJLOIFSA-N 472.450 2.043 30 10 JEEE COc1cc(C=NNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])ccc1OC(=O)c1cccnc1 254475540 QLQWPNKQRAOWKT-UHFFFAOYSA-N 471.451 2.311 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)C[S@](=O)CC(=O)N2CCCc3ccccc32)nc1C 526836750 MTBTUQPRDPDRMD-HKBQPEDESA-N 461.565 2.461 30 10 JEEE CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 726312078 BPZXLMSLINVBJC-DHIUTWEWSA-N 461.566 2.339 30 10 JEEE N#C[C@@H]1CN(C(=O)CCc2ccc(S(=O)(=O)NC3CC3)cc2)CCN1Cc1ccccc1 1136758721 HCPUJTJLWFVNDU-JOCHJYFZSA-N 452.580 2.296 30 10 JEEE N#Cc1ccccc1N1CCC(NC(=O)NC2CCN(S(=O)(=O)C(F)(F)F)CC2)CC1 1223473451 GIECOCHMRMQOGW-UHFFFAOYSA-N 459.494 2.140 30 10 JEEE C#CCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1286356992 WYPZTEDMYLRZDY-UHFFFAOYSA-N 450.587 2.288 30 10 JEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCCCOc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1286379923 DZWCAVNCFMCVAR-NRFANRHFSA-N 499.637 2.308 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](C)c1nc(C)cs1)[C@H]1CCS(=O)(=O)C1 1286382632 SRPVETQYLDMGMS-WBVHZDCISA-N 499.622 2.121 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1ccc(F)c(COC)c1)[C@H]1CCS(=O)(=O)C1 1286387915 WMHWPZPAXRZSJI-SFHVURJKSA-N 457.531 2.234 30 10 JEEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2Cc2cccc(C(=O)NCCC)c2)CC1 1286482210 NHCPPQHGDVJBAN-UHFFFAOYSA-N 457.582 2.207 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2CCS(=O)(=O)C(C)(C)C)CC1 1286489851 GGWLHPPVQCMNNQ-UHFFFAOYSA-N 487.626 2.133 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2(OC)CCCC2)CC1 1286492124 HXBDTMGOGHOITF-UHFFFAOYSA-N 453.591 2.065 30 10 JEEE C=C(Br)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1286531317 XATSEPXOGGAEFP-HOCLYGCPSA-N 493.793 2.485 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1286550953 KHWULCJUBPKDIL-ACRUOGEOSA-N 470.599 2.316 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1286757041 DLFGGCOKPIRFBD-GUDVDZBRSA-N 451.637 2.246 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1286781242 PRPFSUMRXHTYEW-ICSRJNTNSA-N 451.575 2.122 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCN(C)C(=O)[C@@H]1C 1286783708 ZQFUUZSXXDGVDH-KRWDZBQOSA-N 464.526 2.086 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC(C(=O)OC)CC1 1286822283 CJYUMHOAKSUPPQ-UHFFFAOYSA-N 476.599 2.464 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1CC(=O)NC1CCCCC1)[C@H]1CCS(=O)(=O)C1 1300499464 SDKUALPMDSTAQP-FQEVSTJZSA-N 487.601 2.084 30 10 JEEE C#CCN(c1nnc(COCC)n1CC(C)(C)c1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1300504226 KRQQNJLWKBUJAU-IBGZPJMESA-N 460.600 2.428 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@]2(C)CCO[C@@H]2C2CC2)CC1 1300711233 UFTHFKAINYYQCD-QFQXNSOFSA-N 484.645 2.368 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CCCNC(=O)c2cccc(O)c2)CC1 1300711850 IXHQIYWYMAPBGL-UHFFFAOYSA-N 466.586 2.067 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2Cc2cccnc2-n2cccn2)CC1 1300726509 PBPDFMREDQZZGG-UHFFFAOYSA-N 460.586 2.462 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2CCC(=O)NC(C)(C)C)CC1 1300727066 VJDZLLZRAHQMLV-UHFFFAOYSA-N 480.613 2.148 30 10 JEEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(c2ccsc2)CC1 1300762231 HJISKUXBDCUEMU-IBGZPJMESA-N 495.696 2.423 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1Cc1cc(F)ccc1N1CCOCC1 1300778771 IASKGPUZIGUAMD-XMMPIXPASA-N 454.550 2.432 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1300897807 VLDZJHMMOWSCMX-LGVFNWMJSA-N 474.650 2.319 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCNC(=O)c1cc[nH]n1 1300901946 WNFSXGSSCXDMDO-UHFFFAOYSA-N 485.618 2.102 30 10 JEEE C=CCN(c1nnc([C@]2(OCC)CCOC2)n1CC1(NC(=O)OC(C)(C)C)COC1)C1CC1 1301315807 AYWIHHKZRTZIAN-QHCPKHFHSA-N 463.579 2.379 30 10 JEEE CC(C)CN1CCO[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N(C)Cc2cnn(C)c2)C1 1303203267 DKIZNDPHLHMWHU-HSZRJFAPSA-N 478.601 2.455 30 10 JEEE CCn1cc(C2CCN(c3nnc(-c4ccc(C#N)cc4)n3CCS(=O)(=O)N(C)C)CC2)cn1 1313830219 FCMADJSURIEMJZ-UHFFFAOYSA-N 482.614 2.309 30 10 JEEE CCOC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1314053828 BBDMNDZHDSJSOV-UHFFFAOYSA-N 476.603 2.016 30 10 JEEE CO[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CN2CCOCC2)CC1 1315163951 DEGOIAOHGGTCKZ-IBGZPJMESA-N 454.575 2.312 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2cc(C)nn2C)c1 1358901695 UCGUARPQVHSANC-SANMLTNESA-N 491.596 2.465 30 10 JEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1358922735 PBHMUHHYMCGGAB-NRFANRHFSA-N 482.610 2.481 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCN(CC(F)(F)F)C1)[C@H]1CCS(=O)(=O)C1 1358962787 WZCGUNBVZLHYDM-SQNIBIBYSA-N 489.564 2.031 30 10 JEEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1CCN(C)CC(F)(F)F 1358997476 UVDIESBHSXRGCI-UHFFFAOYSA-N 452.506 2.227 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCCCO2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1359083367 INBPKYXRWWIEAD-SNRMKQJTSA-N 481.439 2.417 30 10 JEEE C=CCOc1ccccc1Cn1c(C)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1359309019 FWUNTNAIQWBNLJ-UHFFFAOYSA-N 451.531 2.257 30 10 JEEE C#CCOc1ccc(CNS(=O)(=O)c2cc3c(cc2Br)NC(=O)CO3)cc1 1463723655 JXZACHYSRSWSQK-UHFFFAOYSA-N 451.298 2.271 30 10 JEEE CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(OC)nc2)CC1 1496306171 DZUOGQLKSFXFHM-IBGZPJMESA-N 488.596 2.305 30 10 JEEE COc1cccc(-c2nnc(N3CCC(CC#N)CC3)n2C[C@H]2CCN(S(C)(=O)=O)C2)c1 1504333872 DTFCATRQMIETIB-SFHVURJKSA-N 458.588 2.365 30 10 JEEE COc1ccccc1Cc1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1504406367 HPPTXUABRGISRE-FDDCHVKYSA-N 472.615 2.289 30 10 JEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](COc2ccccc2)C1 1507564869 YLJXRSKPIPVTTK-FPOVZHCZSA-N 458.584 2.268 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H](C)Oc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1507634894 OFKIFJOEUUVFHT-TZIWHRDSSA-N 495.605 2.367 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H](C(C)C)N1CCOCC1 1507710044 BVKOFBNPPKKGIV-OFNKIYASSA-N 469.586 2.233 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CC[C@H](OC)C(F)(F)F)CC1 1507738953 IXTGELKXWNOBMY-SJORKVTESA-N 457.497 2.105 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCC(OCC(N)=O)CC1 1507811338 PWLSKSYTIKGFMX-SBUREZEXSA-N 473.549 2.448 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CC[C@H](CO)O1 1508008068 KCIOWRVVKJXORS-CEXWTWQISA-N 464.563 2.052 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCC(=O)N2CCCCC2)C1 1508107487 ALQPPBYFNJXAAB-GOSISDBHSA-N 453.547 2.109 30 10 JEEE C[C@H]1C[C@@H](C)CN(C(C)(C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)[C@@H](C)CC#N)C1 1511978092 FPQFPGVZXQPWHZ-MHORFTMASA-N 453.657 2.383 30 10 JEEE CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC[C@H](O)C2)CC1 1513186187 BNDZFUFLXVVOIO-RRPUWOKSSA-N 479.629 2.405 30 10 JEEE CC[C@@H](C)NC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)C)CC1 1513199589 BOBWPVODWKOJNH-LJQANCHMSA-N 453.591 2.421 30 10 JEEE CN(C[C@@H]1CCOC1)c1nnc(COc2ccc(C#N)cc2)n1CCS(=O)(=O)C(C)(C)C 1517240487 DWLPZMCSWHNHMU-SFHVURJKSA-N 461.588 2.415 30 10 JEEE COC1CCN(C(C)(C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@@H](CNC(C)=O)C2)CC1 1518594238 GRZDHFDHSPUVGD-QHCPKHFHSA-N 495.628 2.047 30 10 JEEE C#CCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1539093968 INHIXHGNMGRWCL-QFBILLFUSA-N 454.506 2.443 30 10 JEEE C#CCN(c1nnc(C(C)C)n1Cc1cccc(Br)n1)[C@H]1CCS(=O)(=O)C1 1539203750 UNBFIMVLFGFDAO-HNNXBMFYSA-N 452.378 2.234 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1CCNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1539210382 DMTQNWJFCJZOKJ-GOSISDBHSA-N 473.599 2.405 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1cccc(OCCN(C)C)c1)[C@H]1CCS(=O)(=O)C1 1539220486 SUOOZGNBLMZSHF-NRFANRHFSA-N 487.670 2.482 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CC1(OC)CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1539224853 JBXRLPQNQQGBBF-KWLQHXCVSA-N 471.627 2.486 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1539241598 FMGFBVVRMSXWPY-QGZVFWFLSA-N 463.510 2.043 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1C[C@@H](C)CN1CCOCC1 1539391731 HQGGWKOGGLDKQB-FQEVSTJZSA-N 468.577 2.148 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](C)c2cccc(C)c2)CC1 1539488082 GQQWNUVVGQHJHC-HXUWFJFHSA-N 462.598 2.478 30 10 JEEE C=C(C)COCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](C)[C@@H](O)C1 1539750683 TZNOIPKSHLBSHK-QRVBRYPASA-N 465.595 2.386 30 10 JEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccccc2OCCN(C)C)CC1 1539828087 DSSBBDSSHIWJQA-GOSISDBHSA-N 462.620 2.033 30 10 JEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(C)(C)N2CCC(OC)CC2)CC1 1539874021 JCOIAFINWZLWRR-KRWDZBQOSA-N 468.668 2.180 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 1540200746 HWBGDLCFNDYOFF-MOPGFXCFSA-N 497.662 2.466 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](CN2CCC(C)CC2)C1 1540862178 UJZHPSXPYVPPOI-FQEVSTJZSA-N 480.617 2.176 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1540862780 JFBOLTJBUKQDRQ-MZNJEOGPSA-N 483.548 2.345 30 10 JEEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1540869916 AOBNZNAFJZSLMK-LJQANCHMSA-N 498.632 2.422 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(=O)Nc2c(C)cccc2C)C1 1540892255 INZAAXMGSXJFPP-OALUTQOASA-N 473.599 2.217 30 10 JEEE CN(C)C(=O)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1552692328 BWJRKACNVCQYCK-FQEVSTJZSA-N 488.614 2.001 30 10 JEEE COC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(N(C)C)CCOCC2)CC1 1554538990 CJHZZVASZSLGLR-UHFFFAOYSA-N 482.585 2.229 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1ccc(NC(C)=O)nc1 1587568692 RQKYISYAEINKCI-OAHLLOKOSA-N 480.598 2.406 30 10 JEEE C#CCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC[C@@H](CC(N)=O)C1 1587878948 LJKZRBGEPSBJJJ-QFIPXVFZSA-N 463.630 2.148 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1ccc(OCCC)nc1)[C@H]1CCS(=O)(=O)C1 1588050911 XRPWWGRAVXLZDT-SFHVURJKSA-N 454.556 2.132 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)SC 1588550126 ITUNQBUAUVYNGY-VQIMIIECSA-N 481.619 2.141 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@H]1CCOC[C@@H]1OC 1588581259 LZZCKNNIYMSUDQ-UGKGYDQZSA-N 450.543 2.473 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2CCC(=O)N2CCCCC2)CC1 1588871433 DCJLNHNBVLCZHL-UHFFFAOYSA-N 450.587 2.323 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1595776791 FUKFNGHQWUXLKE-FQEVSTJZSA-N 486.642 2.437 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC(C(N)=O)CC1 1595822865 KEPDNBAMUVNJCI-UHFFFAOYSA-N 489.642 2.457 30 10 JEEE Cc1cc(N2/C(=N\C(=O)CCC(=O)O)S[C@@H]3CS(=O)(=O)C[C@H]32)ccc1Br 1615097426 SHVWPBFTCFGCCN-TXXBVZAJSA-N 461.359 2.224 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCC(=O)NC(C)(C)C 1649540471 XBEUZWODMWLRHV-HNNXBMFYSA-N 459.620 2.309 30 10 JEEE CCCCn1c(N)c(N(CC)C(=O)CN2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c(O)nc1=O 1653426383 BTZJHPDJDKJRLK-RBUKOAKNSA-N 452.559 2.456 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2CCN2CC=CCC2)CC1 1690150307 CFIDBNKOTFTUPN-UHFFFAOYSA-N 462.598 2.127 30 10 JEEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1690165967 PDZXWIREUFMPMQ-CVDCTZTESA-N 477.638 2.172 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1690228947 JUHALFIKYJRVAU-DLBZAZTESA-N 481.439 2.260 30 10 JEEE C=C(Cl)Cn1c(N2CC[C@@H](S(=O)(=O)NCC)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1690359199 VOJRXRIXGQURKL-OWCLPIDISA-N 489.042 2.319 30 10 JEEE C=CCCCCCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@]1(O)CCS(=O)(=O)C1 1690450077 ZKWMOVLQOFBDTH-HSZRJFAPSA-N 486.598 2.326 30 10 JEEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 1690674034 MNOWKMKSXPXNFW-UHFFFAOYSA-N 457.966 2.436 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N(C)Cc1ccc([S@](C)=O)cc1 1690724494 QHFLOHRJMHTZCZ-QTEAWJPNSA-N 466.629 2.494 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1C[C@@H](C)N(C)C1CC1 1692530746 BFIRXUKQIROZKW-HXUWFJFHSA-N 478.645 2.483 30 10 JEEE COc1ccc(Br)c(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@]2(OC)CCOC2)c1 1697320686 AUZXEWRXVSRKLL-QRWLVFNGSA-N 478.347 2.250 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)C)n2CC2(N3CCOCC3)CC2)c1 1705506798 IOIBPPHCBVFRBX-UHFFFAOYSA-N 450.587 2.398 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CCCN1CCN(CC)CC1)[C@H]1CCS(=O)(=O)C1 1705563163 RQRNALHJYGITCK-DEOSSOPVSA-N 498.697 2.162 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1Cc1nc(C)cs1)[C@@H]1CCS(=O)(=O)C1 1705564257 MYXFKKZGUQDSDX-MRXNPFEDSA-N 457.581 2.394 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1ccc(OC)c(O)c1)[C@@H]1CCS(=O)(=O)C1 1705567331 WRZJXLKIRFDUIY-GOSISDBHSA-N 467.551 2.038 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccc(F)cc2)n1Cc1cccc(N2CCOCC2)n1 1705585936 OLLPRKCVHBLLQZ-UHFFFAOYSA-N 460.513 2.349 30 10 JEEE C#CCN(CCOC)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1CN(C(=O)OC(C)(C)C)C1 1705622596 MXHFZRRUAOBYKG-DEOSSOPVSA-N 477.606 2.272 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCC(=O)Nc2ccccc2)CC1 1705634751 HZLLWWMZUAEXTJ-VWLOTQADSA-N 466.586 2.103 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCCSC)CC1 1705645767 DOGBWJNWSXZSMV-UHFFFAOYSA-N 455.584 2.435 30 10 JEEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1705660564 YLZQBFXWJOIBOH-QGZVFWFLSA-N 470.599 2.080 30 10 JEEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1705679133 CGXBKCWRVKCOFG-OAHLLOKOSA-N 453.385 2.308 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)c2c(C)noc2C)CC1 1705781641 FGCMWAQUFAKKEE-DNVCBOLYSA-N 478.619 2.422 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@@H](C)O[C@H](CC)C1 1705894888 NPKMVYWXHJREAI-CRAIPNDOSA-N 460.966 2.167 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)C[C@H]1CCOC1 1705931631 WFVUSECPWWWMGY-QGZVFWFLSA-N 456.572 2.409 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1705937512 WMTJMWAEOLTWOQ-MRXNPFEDSA-N 477.553 2.116 30 10 JEEE CC(C)[C@H](Cn1c(COc2ccc(F)cc2)nnc1N1CCO[C@@H](C#N)C1)N1CCOCC1 1706263555 AVFKQKVGIZQCAR-SFTDATJTSA-N 458.538 2.082 30 10 JEEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1CCC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1722372208 RGSXKCUSTAIAMP-IBGZPJMESA-N 460.600 2.262 30 10 JEEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cc(F)ccc1N1CCOCC1 1722374294 SYXPCVOYDCKFLH-AREMUKBSSA-N 481.572 2.416 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCCSC1 1722375146 LAJCVHIPRDYWGB-SFHVURJKSA-N 457.625 2.411 30 10 JEEE C#CCN(CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1CCN(CCN(C)C)CC1 1722408577 LPQKRSZNBBOWHR-UHFFFAOYSA-N 452.603 2.449 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1ccccc1)C1CC1 1722414093 VNXOHMXEWVLXMW-LEWJYISDSA-N 457.600 2.264 30 10 JEEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCO[C@@H](C)C1 1722424862 CFVMCOYJLSIWET-ZWKOTPCHSA-N 460.604 2.139 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCCSc2nccs2)CC1 1722440299 BWNKPMFKXBCPIX-UHFFFAOYSA-N 475.644 2.021 30 10 JEEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCC(CC(=O)N(C)C)CC1 1722461100 CATNSTCUYSEYTO-UHFFFAOYSA-N 474.656 2.331 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](c2ccccc2)C1 1722726204 YHTVSNHMQGSGOZ-IBGZPJMESA-N 482.566 2.104 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC(Cn2nc(C)cc2C)CC1 1722737269 YWIZBBCDYPLCEC-HXUWFJFHSA-N 462.620 2.460 30 10 JEEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(SC)CCN(C)CC2)CCO1 1730586187 GVFGOAZDEMWOKT-FQEVSTJZSA-N 456.616 2.496 30 10 JEEE C#CCCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1740566778 YEXILKDKYMNNCF-UHFFFAOYSA-N 461.588 2.238 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1CCNC(=O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1740621626 XUQWXOJLXSLJAR-QGZVFWFLSA-N 494.017 2.006 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CC1(CCOC)CCC1)[C@H]1CCS(=O)(=O)C1 1740628342 XFXVFOUNXOMBRI-RBUKOAKNSA-N 450.605 2.353 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1740647135 OMEJHNDVHVZJCH-NZQKXSOJSA-N 497.562 2.435 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1CC1([S@@](C)=O)CCC1 1740680580 HQHKXBWBASUIHJ-HHHXNRCGSA-N 454.394 2.423 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccccn2)n1Cc1cc(F)ccc1N1CCOCC1 1740683144 WBOVIDHPHQXHKN-UHFFFAOYSA-N 450.518 2.450 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2cc(C(C)(C)C)no2)CC1 1740709655 JYSWEYOLEVWZSZ-RXVVDRJESA-N 484.601 2.302 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)cc2OC)n1C[C@H]1CC(=O)N(CCOC)C1 1740727935 GHDJWKIJESOAJS-AVRWGWEMSA-N 467.570 2.449 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1740760125 GTOUKDCDXJYPTF-ZRNYENFQSA-N 467.636 2.267 30 10 JEEE C=C1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CCCS(C)(=O)=O)CC1 1740819129 FQBURZXOGHFHMG-UHFFFAOYSA-N 466.633 2.138 30 10 JEEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CCCN2CCOCC2)CC1 1740875795 KDKCUDBMPHDPKU-OAQYLSRUSA-N 465.664 2.475 30 10 JEEE C=CCCCn1c(N2CCCN(CC(=O)N3CCCC3)CC2)nnc1[C@@]1(OCC)CCOC1 1740881628 MITBFUONPIMJHJ-XMMPIXPASA-N 460.623 2.031 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@]1(C)COCCO1 1740920397 CCKJDAVKVWSSAW-AVRDEDQJSA-N 464.563 2.317 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N(C)[C@H](C)CS(=O)(=O)CC 1740952530 HIFSPKMBCHMWBO-CQSZACIVSA-N 484.420 2.269 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@H](COC)C1 1740969525 QJSAXKXJGLFCTF-SXLOBPIMSA-N 476.599 2.033 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H]1c1ccc(OC)cc1 1740986065 RGKWZLBNJRJXHB-IBGZPJMESA-N 461.588 2.367 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1C[C@H](C)OC(C)(C)C1 1740991953 IYXSSEVWKLZCMI-QFBILLFUSA-N 462.572 2.395 30 10 JEEE CC(C)NC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1741700870 CHGIULCRLXJQJM-UHFFFAOYSA-N 462.533 2.126 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1CCN(C)C1CCCC1 1741904719 CSFNBLFTDWFEON-KRWDZBQOSA-N 459.620 2.271 30 10 JEEE Cc1cccc([C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CC[C@](F)(C#N)C2)N2CCOCC2)c1 1742303678 AAXKMEKNLZRFHW-YKSBVNFPSA-N 469.565 2.240 30 10 JEEE CCOc1ccccc1OCc1nnc(N2CC[C@](F)(C#N)C2)n1CCCS(C)(=O)=O 1746882312 HMEPOMOJQDXTSG-FQEVSTJZSA-N 451.524 2.132 30 10 JEEE C#CCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1748752234 STBDXYNAYCXNCP-JOCHJYFZSA-N 466.586 2.194 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1748804340 FYUXBTXXFJGLOU-YVWKXTFCSA-N 495.001 2.114 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCN1CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1748809347 LISIKPMVLMPNRF-CTNGQTDRSA-N 471.627 2.312 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H](c1ccco1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1748809409 MPIMPBGVXWJHMQ-RTWAWAEBSA-N 478.578 2.339 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Cl)n1Cc1snnc1C)[C@H]1CCS(=O)(=O)C1 1748809613 OPRGDOSBCXUVPT-AWEZNQCLSA-N 462.988 2.433 30 10 JEEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccccc1N1CCOCC1 1748830231 RESIVVHTVKQKHO-AREMUKBSSA-N 463.582 2.276 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2nccnc2C)CC1 1749006495 PQNQGMFLNQHYPB-UHFFFAOYSA-N 454.538 2.124 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccc(OC)cc3)n2CCC(=O)NC(C)(C)C)CC1 1749016048 XSRBSZMNXWNKOM-UHFFFAOYSA-N 494.640 2.343 30 10 JEEE C#CCSCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(C)C(=O)C1 1749037119 BCCQEEZLHHVTNU-KRWDZBQOSA-N 462.620 2.037 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)OCCOC)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1749055096 DZPPBESEKRLTHS-DZCCDHAISA-N 479.647 2.198 30 10 JEEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(=O)c2ccccc2)CC1 1749251543 GRWUVUKJHYVINL-HNNXBMFYSA-N 466.995 2.040 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(C(=O)COC)CC1 1749266030 BXIFOTNFGUJNOE-QGZVFWFLSA-N 483.013 2.440 30 10 JEEE C=CCC(C)(C)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCO[C@H](C(=O)NC)C1 1749373192 GXLNTGHUDLAEES-QHCPKHFHSA-N 495.672 2.196 30 10 JEEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1749609651 YMAVWAQWUVIMTC-GOSISDBHSA-N 453.572 2.430 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCCN1CCN(c2ccncc2)CC1 1760099093 CEHLPGSSMIBNKW-NVQXNPDNSA-N 481.645 2.384 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CCc2nccs2)c1 1760127159 SFSVIDRGLWJYDX-UHFFFAOYSA-N 463.567 2.270 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCCO3)n2C[C@@](C)(O)CCOC)c1 1760128348 GEHKEAFEMSFQDH-RDPSFJRHSA-N 455.559 2.363 30 10 JEEE C#CCCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1760133418 DAIHCQHBQAYGBJ-SFHVURJKSA-N 478.557 2.298 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1CCCN1CCCCC1=O)[C@H]1CCS(=O)(=O)C1 1760184978 NFHSOWWGNAYOJI-FQEVSTJZSA-N 469.611 2.283 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)c1cccs1 1760219531 HESZYZZUHKZYAL-GOSISDBHSA-N 475.640 2.113 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@H]2CCN(c3ccccc3F)C2)CC1 1760257361 UTSFUYKFMZXYDS-LEWJYISDSA-N 470.593 2.423 30 10 JEEE C#CCN1CCN(c2nnc(CC(C)(C)C)n2CCCN2CCN(c3ccncc3)CC2)CC1 1760261907 SLLQCFCWDDAZDY-UHFFFAOYSA-N 464.662 2.229 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C2CCN(c3ncccn3)CC2)n1CCCC(=O)N(C)C 1760295698 UZDZSTPPPHLUGW-XMMPIXPASA-N 450.591 2.313 30 10 JEEE C=CCC(C)(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1760408803 SJHNQHYSNKWUQS-INIZCTEOSA-N 458.592 2.392 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1760518137 JURXPGDRRPARON-UHFFFAOYSA-N 481.645 2.251 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN([C@@H](C)c2nc(C3CC3)no2)CC1 1760548247 BOCIHEQGCAHPIE-INIZCTEOSA-N 463.608 2.146 30 10 JEEE CC(=O)N1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCN/C(O)=C2\N=CC=CC2=O)[C@@H](C)C1 1760613278 VWOINCUGCJQYPI-LSJZCYCUSA-N 497.987 2.106 30 10 JEEE CC(C)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(CCS(C)(=O)=O)C1CC1)N1CCOCC1 1760873248 ADLQERVQDQLREC-JOCHJYFZSA-N 486.642 2.187 30 10 JEEE CCc1nsc(N2CCN(c3nnc(-c4cccc(C#N)c4)n3CCCC(=O)N(C)C)CC2)n1 1763191339 DCNXUXSQTSCITK-UHFFFAOYSA-N 479.614 2.426 30 10 JEEE CC[C@@H](C)N(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1763911696 CJNKKRLLUFJYOZ-NQIIRXRSSA-N 474.631 2.472 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(C)cc1O[C@@H]1CCOC1 1764187140 FJLXBKGXOMZGKK-NHCUHLMSSA-N 482.585 2.450 30 10 JEEE CC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CCS1 1765246193 DOAMSOXXNUMFGX-HKUYNNGSSA-N 460.629 2.430 30 10 JEEE CCOc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2ccc(NC(C)=O)nc2)cc1OC 1767548194 CXIZBWXLTSAXIN-IBGZPJMESA-N 477.525 2.483 30 10 JEEE CN(C)CCN1CCC(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCCOCC2)CC1 1768511791 BMRKVIBNJNXGPN-UHFFFAOYSA-N 467.618 2.229 30 10 JEEE Cn1ccc(CCn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CC[C@@](F)(C#N)C2)n1 1769022310 DQKZXLKGBNTPDT-OAQYLSRUSA-N 456.913 2.280 30 10 JEEE CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CCCNC=O)ccc1O 1862634553 ZNHCKPGLIOPEEB-OAQYLSRUSA-N 468.462 2.234 30 10 JEEE CN(C)CCCN1C(=O)c2ccc(C(=O)NC(C)(C)C(=O)Nc3ccccc3C#N)cc2C1=O 1866610918 HDXJYDFAYBWLJF-UHFFFAOYSA-N 461.522 2.253 30 10 JEEE CN(C)c1ccc(NC(=O)[C@@H](CO)NC(=O)C2CCN([C@@H](C#N)c3cccs3)CC2)cc1 1866866129 DXJXYTBJBDUGHZ-UXHICEINSA-N 455.584 2.207 30 10 JEEE CCOc1cccc(/C=N/Nc2cnn([C@H]3CCS(=O)(=O)C3)c(=O)c2Br)c1 1873527205 PQSPNLLDAJVLQG-PFHXIJNMSA-N 455.334 2.210 30 10 JEEE C=CCn1c(C(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)cc2c(NCCCN(C)C)ncnc21 1873626807 SCXQQAJUQWYGDL-UHFFFAOYSA-N 461.526 2.459 30 10 JEEE CC(=O)NCc1nnc(SCC(=O)N[C@@H](C)c2ccccc2)n1/N=C/c1ccc(O)cc1O 1874435884 CEXSAEVEATVRHO-ZFVWIKOCSA-N 468.539 2.177 30 10 JEEE COc1cc(/C=N/n2c(CNC(C)=O)nnc2SCC(=O)N[C@H](C)c2ccccc2)ccc1O 1874436419 ZYKKVONTYGLMCW-HURLIOHXSA-N 482.566 2.480 30 10 JEEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)COc3ccccc3[N+](=O)[O-])CC2)CC1 1891134144 UAOSPEUIBSXPIR-UHFFFAOYSA-N 458.559 2.011 30 10 JEEE CCN1CCN(CC#CCOC2CCN(C(=O)[C@H]3CC(F)(F)CN3C(=O)OC(C)(C)C)CC2)CC1 1891248182 PTQDOUHFJOMURR-OAQYLSRUSA-N 498.615 2.280 30 10 JEEE CC(C)(C)OC(=O)NCC(CNC(=O)OC(C)(C)C)NC(=O)C#CB1OC(C)(C)C(C)(C)O1 2241491250 RKDFJOKKCOHNKU-UHFFFAOYSA-N 467.372 2.155 30 10 JEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(Cc2ccccc2)C2CN(C(=O)OC(C)(C)C)C2)n1 2243422978 PGJGXZJLKMDGET-UHFFFAOYSA-N 497.405 2.376 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CC[C@@H]1NC(=O)OCc1ccccc1 2255635514 HPFXYDCTFHXUMY-MSOLQXFVSA-N 468.363 2.215 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)c2ccsc2B2OC(C)(C)C(C)(C)O2)CCO1 2255646587 WRVAYKZEKYUDHQ-CQSZACIVSA-N 452.382 2.413 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)Nc1n[nH]c(CNC(=O)OC(C)(C)C)n1 2267132479 QKJRLGTWHHGALX-UHFFFAOYSA-N 464.357 2.146 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NCC1(F)CN(C(=O)OC(C)(C)C)C1 2267221155 PQTUUBRUOKASKP-UHFFFAOYSA-N 451.348 2.496 30 10 JEEE CC1(C)OB(c2ccsc2S(=O)(=O)NC[C@H]2COCCN2Cc2ccccc2)OC1(C)C 2267369817 BTTGRXYGXTXGDL-SFHVURJKSA-N 478.445 2.227 30 10 JEEE CCN(CCN(C)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2267465841 RGGOAHGZTXLKMN-UHFFFAOYSA-N 489.469 2.461 30 10 JEEE CC1(C)OB(c2cccc(CS(=O)(=O)N(OCc3ccccc3)C3CNC3)c2)OC1(C)C 2267471095 DXKXGIYQBVEJLI-UHFFFAOYSA-N 458.389 2.221 30 10 JEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)CCN1C(=O)c1ccsc1B1OC(C)(C)C(C)(C)O1 2267476912 FFHOWHFRVYGWMS-UHFFFAOYSA-N 486.421 2.070 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)CCCO1 2267479757 PRZPCDUCFJXKSF-AWEZNQCLSA-N 467.397 2.198 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1CO 2267487259 NZRYBTWUUJHJCO-PBHICJAKSA-N 466.409 2.395 30 10 JEEE Cc1sc(C(=O)N(C)CC2(O)CN(C(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2271678451 KOKNEKSLDBKSAY-UHFFFAOYSA-N 466.409 2.410 30 10 JEEE Cn1cc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C2CC2)nc1B1OC(C)(C)C(C)(C)O1 2282036882 ORKJPTFOAHMHNC-RDJZCZTQSA-N 460.384 2.237 30 10 JEEE Cn1cc(C(=O)N2CCC[C@@H]3[C@H]2CCN3C(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2282062976 GGVWTBAUWVAIMS-IAGOWNOFSA-N 460.384 2.333 30 10 JEEE C[C@H]1C[C@H](CNS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CN1C(=O)OC(C)(C)C 2282354141 MVDOJQJEWKXXAI-JKSUJKDBSA-N 481.424 2.305 30 10 JEEE C[C@@H]1CCN(C(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C[C@H]1CNC(=O)OC(C)(C)C 2282551658 FJFPSLIGLFVXBL-HZPDHXFCSA-N 462.400 2.342 30 10 JEEE CCc1nn(C)c(C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C)c1B1OC(C)(C)C(C)(C)O1 2282561737 UJSTXQUAWNXKTH-HOCLYGCPSA-N 462.400 2.409 30 10 JEEE Cn1ncc(C(=O)N2CCC3(CC2)CN(C(=O)OC(C)(C)C)C3)c1B1OC(C)(C)C(C)(C)O1 2282569160 NMJDCCHLJXHMLW-UHFFFAOYSA-N 460.384 2.192 30 10 JEEE Cc1c(C(=O)N2C[C@H](CNC(=O)OC(C)(C)C)C[C@@H]2C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282600028 SCTLNYFAJVESSA-HOCLYGCPSA-N 462.400 2.403 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2Cl)[C@@H](O)C1 2282608041 POAIHXFGIULONS-CVEARBPZSA-N 481.786 2.134 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)c3csc(B4OC(C)(C)C(C)(C)O4)c3)C[C@@H]2[C@@H]1CO 2282630651 LLYVMIBAOREQKU-ULQDDVLXSA-N 478.420 2.347 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)CCO1 2282678525 NMWDKVUQQJURKM-YJBOKZPZSA-N 461.368 2.135 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@@]2(NC(=O)c3ncncc3B3OC(C)(C)C(C)(C)O3)C[C@@H]2C1 2282708829 RWGFRXMFAYBBEI-IQMFZBJNSA-N 458.368 2.295 30 10 JEEE CC(C)[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2283068653 KPSBTIIVUDVWOI-MRXNPFEDSA-N 460.384 2.493 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)sc1CN(C)C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C 2283950685 NSKOIKYPLYHBQU-AWEZNQCLSA-N 481.424 2.083 30 10 JEEE Cc1csc(CNC(=O)[C@@H](CCC(N)=O)NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2284147313 LVLGVQWPOWVPJX-CQSZACIVSA-N 481.424 2.131 30 10 JEEE COc1ccc(N2C[C@H](c3nnc(SCCO)n3N=Cc3ccc(O)c([N+](=O)[O-])c3)CC2=O)cc1 2325882298 KDAMLAUNUIAZRQ-OAHLLOKOSA-N 498.521 2.388 30 10 JEEE CO[C@H]1C[C@@H](CNC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)N(C(=O)OC(C)(C)C)C1 2337394177 JAAWHHIOVJFQMD-KBPBESRZSA-N 467.397 2.197 30 10 JEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)CCN1c1ncc(Cl)cc1B1OC(C)(C)C(C)(C)O1 2339420122 JBQIVWINEKBTDC-UHFFFAOYSA-N 487.815 2.421 30 10 JEEE CC(C)(C)OC(=O)N1CC2(CC[C@H](NC(=O)c3coc(B4OC(C)(C)C(C)(C)O4)c3)CO2)C1 2362417812 QDPGDHJCLANQOK-INIZCTEOSA-N 462.352 2.477 30 10 JEEE CC(C)(C#C[C@@H](NN)c1ccc(I)c(Br)c1)S(C)(=O)=O 2365184038 BYYSPAGAYKHHLH-GFCCVEGCSA-N 471.158 2.385 30 10 JEEE Cc1c(/C=C2/SC(=S)N(CCCCCC(=O)O)C2=O)c(N2CCOCC2)n(C)c(=O)c1C#N 33811848 QJBKVTRQEYUIET-SFQUDFHCSA-N 490.607 2.248 30 10 JEEE COCCNC(=O)CN1CCN(/C(=N/Cc2ccc(C)cc2)Nc2cccc(C(=O)O)c2)CC1 46022000 VLBDFPUUGCOVIZ-UHFFFAOYSA-N 467.570 2.042 30 10 JEEE C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)CCC(=O)O 135815028 IEKLVCVEJCEIJD-UYXSPTSISA-N 492.540 2.311 30 10 JEEE C#CCN1C(=O)[C@H]2[C@H](C1=O)[C@](CC(=O)O)(C(=O)O)N[C@H]2c1ccc(/C=C/c2ccccc2)cc1 247963531 ASBPQLJSSLFDNZ-PFPVIEJJSA-N 458.470 2.034 30 10 JEEE CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)c2cc(C#N)c(SC)nc2O)s1 609202771 VAQJLVQVPNEEOB-UHFFFAOYSA-N 454.599 2.445 30 10 JEEE CCCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccc(F)c(Cl)c1 729668767 CUAKVKYDUYHILC-UHFFFAOYSA-N 481.940 2.368 30 10 JEEE CC(=NNc1nnc(SCC(=O)NCc2ccc(C)cc2)n1N)c1ccc2c(c1)OCO2 1084457707 QJYMEBJYGNFSAO-UHFFFAOYSA-N 453.528 2.274 30 10 JEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(S(=O)(=O)N=S(C)(C)=O)cc1 1178241618 ZDHUWZVGQOYGDT-MRXNPFEDSA-N 457.574 2.348 30 10 JEEE Cc1ccc(S(=O)(=O)N2CCN(C(=O)CNC3(c4cccc(C#N)c4)CC3)CC2)cc1C 1194259948 AYLIFDTYOMFQDS-UHFFFAOYSA-N 452.580 2.287 30 10 JEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CC(=O)N(c3ccc(OC)cc3)C2)cc1 1214687433 PTQUTLXPIYWMTG-KRWDZBQOSA-N 458.540 2.429 30 10 JEEE C#CCN(c1nnc(-c2cccc(Br)c2)n1C[C@H](C)OC)[C@H]1CCS(=O)(=O)C1 1286384438 QRFGLRYFQAXWTO-YOEHRIQHSA-N 467.389 2.369 30 10 JEEE C#CCN(c1nnc(C2CCCC2)n1CCc1ccc(S(C)(=O)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1286390501 AKQZVAYLVCNWBE-HXUWFJFHSA-N 490.651 2.209 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccc(OC)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 1286390530 APPNVIDNKMEJTK-IRXDYDNUSA-N 464.975 2.119 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CCCOc1ccccc1)[C@H]1CCS(=O)(=O)C1 1286393128 OVJSVEMOWPQDKL-NRFANRHFSA-N 465.579 2.360 30 10 JEEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCC[C@@H]1OC 1286462056 CNCIEHKIYDXDMP-HKUYNNGSSA-N 460.604 2.139 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CCCNC(=O)c2occc2C)CC1 1286490253 OTEVMGZJDKGPNH-UHFFFAOYSA-N 475.553 2.027 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2cccc(C(N)=O)c2)CC1 1286494191 KAINCIZFGICCJG-FGZHOGPDSA-N 492.624 2.310 30 10 JEEE C#CCSCCn1c(-c2ccccc2C)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1286499823 PEKSDEQNYRQWSL-UHFFFAOYSA-N 461.595 2.440 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1286611279 HQNSBHFGKIAYSF-GOSISDBHSA-N 470.574 2.307 30 10 JEEE C=C(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C)c1ccccc1 1286616645 AOGAVFMUYHEDEI-URVUXULASA-N 488.658 2.243 30 10 JEEE C=C(Cl)Cn1c([C@H](C)OCCOC)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1286622529 PZPXKGKFRNVVFK-AWEZNQCLSA-N 491.039 2.030 30 10 JEEE C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1286769715 NSNRHIQSBCCQQL-UHFFFAOYSA-N 457.336 2.042 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1286784091 WFCLIJNKOALGFM-SFHVURJKSA-N 468.583 2.199 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@@H](C)c1cc(F)ccc1F 1286819916 ZKWBACLVQDOKPR-GUYCJALGSA-N 453.515 2.306 30 10 JEEE CCN1CCN([C@@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N(C)Cc2ncnn2CC(F)F)CC1 1296124155 FPPXZESZCFEMIR-SFHVURJKSA-N 498.586 2.336 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CC[C@@H]1CCO[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1300482215 DREUJXCEICQHBZ-BLRYILKCSA-N 494.658 2.151 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1Cc1ccc([C@@H](C)O)cc1)[C@@H]1CCS(=O)(=O)C1 1300502752 WQWWMSUCCDMJOL-IIBYNOLFSA-N 485.635 2.362 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CCc1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1300503380 CHZIBOATKZLSCH-LJQANCHMSA-N 487.557 2.470 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1300504354 MMBNPHGEVDDNDV-TZIWHRDSSA-N 458.584 2.361 30 10 JEEE C=C(Br)Cn1c(N2CCN(c3ncccn3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1300863971 WYYBEHRMWOYJLQ-FQEVSTJZSA-N 478.395 2.344 30 10 JEEE C=CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1301185262 ANQQLIDAPVRXGL-INIZCTEOSA-N 458.588 2.418 30 10 JEEE C=CCCCn1c(N2C[C@H](C)[C@H](N3CCN(C(C)=O)CC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1301235081 UZYDEBHRDSFFNF-NIRIFSCTSA-N 474.650 2.274 30 10 JEEE C=CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1301452443 NMKSZNFXYFUDAW-QZTJIDSGSA-N 482.651 2.344 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCCO3)n2Cc2cccc(S(=O)(=O)NC)c2)C1 1301556652 ITUAHSKFNQVQBK-UYAOXDASSA-N 461.588 2.257 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2CCN(CC(F)(F)F)CC2)C1 1301558844 ZURCZBNPHWVDCX-MSOLQXFVSA-N 491.580 2.236 30 10 JEEE CCNC(=O)c1cc(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)nc2ccccc12 1306752119 GHTOFOMEOLTUTQ-UHFFFAOYSA-N 451.508 2.052 30 10 JEEE CCOC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCOCC2)C1 1314029192 BZNNJVYVXFBQCP-OAQYLSRUSA-N 467.574 2.254 30 10 JEEE C#CCSCC(=O)NCCN1C(=O)S/C(=C/c2cc(OC)c(OC)c(OC)c2)C1=O 1349695541 GCONBOVFWUVHGM-LFIBNONCSA-N 450.538 2.231 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1Cc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1358965132 ONXNVLCAZHUZRR-IBGZPJMESA-N 459.572 2.448 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(C)(C)CN(C)C 1358979789 XTLVQDVKFGFCOK-LJQANCHMSA-N 458.607 2.247 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCC[C@H]1OC 1359023428 KIVSCDIHXLFAAK-FXAWDEMLSA-N 450.543 2.093 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CC(F)(F)CO1 1359025169 FSLWBPXOSATIEM-DLBZAZTESA-N 485.532 2.097 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)CC)n2CCCN2CCN(c3ccncc3)CC2)CC1 1359029115 OTDNWTYWACHHSZ-QFIPXVFZSA-N 450.635 2.154 30 10 JEEE C=CCCCn1c(N2C[C@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)nnc1[C@@]1(OCC)CCOC1 1359221267 WSXDQLDNJBFBBY-NIRIFSCTSA-N 474.650 2.275 30 10 JEEE C=CCSCCn1c(CC2CCCC2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1359345177 WCFJCAKVHVRJJA-UHFFFAOYSA-N 460.648 2.201 30 10 JEEE CCO[C@]1(c2nnc(N3CC=C(c4ccc(C#N)cc4)CC3)n2CCS(C)(=O)=O)CCOC1 1502668347 HKWYKMLVMCRPCN-HSZRJFAPSA-N 471.583 2.140 30 10 JEEE N#C[C@@]1(F)CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCN2CCCCCC2=O)C1 1505311577 AWPPAYURJFZONC-QFIPXVFZSA-N 454.510 2.160 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cc(Br)c[nH]3)n2Cc2ncn(C)n2)c1 1507548558 AWAVAGNHQRPGDO-UHFFFAOYSA-N 494.357 2.269 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ncn(C)n2)c1 1507551941 IXRFQZPLFGLRJH-DENIHFKCSA-N 476.585 2.430 30 10 JEEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1507589314 VUZKSNGQZFGKLG-GAJHUEQPSA-N 474.562 2.031 30 10 JEEE C#CCN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1507623788 XGCHPTWUWOKDKG-HNNXBMFYSA-N 489.907 2.051 30 10 JEEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1C[C@@H]1CCSC1)[C@H]1CCS(=O)(=O)C1 1507637837 BXAJMCJSGRTTTI-ROUUACIJSA-N 476.624 2.246 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccccc2C)n1CCS(=O)(=O)N1CCSCC1 1507667312 QADAZVJLYMWZLO-UHFFFAOYSA-N 457.625 2.095 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CC(C)(C)N2C[C@@H](C)C[C@H](C)C2)CC1 1507738651 UABFODIJTBANCX-PMACEKPBSA-N 478.645 2.457 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)Nc1cccc(C)c1C 1507751867 SJNKLMYUKXPLJW-SFHVURJKSA-N 475.640 2.238 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)NCC1CC1 1507773946 YVJPOIKIJGKZJS-MHECFPHRSA-N 472.590 2.105 30 10 JEEE C=C(Br)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1507780448 CAWXUQMOJXWZQY-INIZCTEOSA-N 470.331 2.198 30 10 JEEE C=C(C)COCCn1c(CC)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)C2(CCS(=O)(=O)CC2)C1 1507845809 QGAHCMMNPUTCAQ-GOSISDBHSA-N 497.662 2.342 30 10 JEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](OCc2ccccc2)C1 1507954776 PJRPWQJTMGXQCE-SFTDATJTSA-N 475.615 2.373 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCOC2(CCOCC2)C1 1508074940 UPECRDCSPAMAAI-UHFFFAOYSA-N 463.485 2.235 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CC(=O)NCC(F)F)C1 1508113516 HAABTIQKMUXZDV-INIZCTEOSA-N 457.485 2.498 30 10 JEEE C[C@H]1CCCN1CCn1c(-c2ccc(C#N)cc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1512250546 GAPISKBITRMVSV-SFHVURJKSA-N 471.631 2.161 30 10 JEEE CC[C@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCN1CCN(C)C(C)(C)C1 1513017610 HQNDAJBVODHYQS-IBGZPJMESA-N 482.681 2.058 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(C(C)(C)C)n1CCNC(=O)c1cc[nH]n1 1519129631 AXJQGKLUCFDBPK-UHFFFAOYSA-N 450.547 2.253 30 10 JEEE COCCn1cc(Cn2c(-c3ccc(Br)s3)nnc2N2CCO[C@H](C#N)C2)cn1 1519182707 CWIYGDGGEGHMTJ-CQSZACIVSA-N 478.376 2.389 30 10 JEEE N#Cc1cccc(-c2nnc(N3CCC(C(=O)NCC(F)(F)F)CC3)n2CCn2cncn2)c1 1521069112 DAULDBTZYHPWOI-UHFFFAOYSA-N 473.463 2.003 30 10 JEEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCCn1cc(Br)cn1 1539153680 IHLZZTYINZSPBS-LJQANCHMSA-N 451.369 2.437 30 10 JEEE C#CCN(c1nnc([C@@H](C)CC)n1CCNC(=O)c1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 1539201613 AVZWEGHLSSFOOK-AZUAARDMSA-N 457.600 2.157 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H](C)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1539206548 RCQOYNBOBHDWOQ-WBVHZDCISA-N 497.463 2.393 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1CC1(OC)CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1539231289 QQTKWNREPCEVBF-LECRGTDLSA-N 450.605 2.352 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccccc1OC(F)F 1539324052 OXGFPSMFZJCXGA-GOSISDBHSA-N 462.522 2.487 30 10 JEEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccnc(OC2CCOCC2)c1 1539344477 ASMHWUZATFJLQE-XMMPIXPASA-N 455.559 2.391 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2OCC[C@H]2C)CC1 1539470301 LYWCFOPGLWPDPI-OXQOHEQNSA-N 452.515 2.244 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(C)cc2OCCOC)CC1 1539476902 HKSDRFMUAWNBCB-UHFFFAOYSA-N 491.596 2.026 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2CCCc2nc(C)no2)CC1 1539483304 WDKIHAJDGIIFHV-UHFFFAOYSA-N 483.523 2.437 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2ccc(F)cc2F)C1 1539517286 LILABPUBQXZUKZ-BEFAXECRSA-N 482.578 2.403 30 10 JEEE C=CCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1539983209 WFNLAMHXVPMFIG-QGZVFWFLSA-N 470.549 2.451 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCn1c(C)nc2ccccc21 1540201434 UHDABOQXOIFFAH-SFHVURJKSA-N 458.588 2.177 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N(CC)CC1CCN(c2ccccn2)CC1 1540871407 LDJPZRMTSFXAKM-FQEVSTJZSA-N 453.591 2.222 30 10 JEEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H](NC(=O)OCC)C1 1540872606 UVUMHGPRWQZHQD-HNNXBMFYSA-N 462.501 2.164 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 1540873476 YVAHRZHCUZKXHW-SFHVURJKSA-N 455.563 2.012 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1540899314 JVVJANHDOQLAEA-IBGZPJMESA-N 466.629 2.122 30 10 JEEE CCc1ccc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(S(C)(=O)=O)CC2)s1 1546257598 FSPMKDQQGNFDEH-UHFFFAOYSA-N 486.623 2.483 30 10 JEEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1CCCN1C[C@H](C)O[C@H](C)C1 1554381199 AGKHMKSFUIFKMM-GBESFXJTSA-N 453.591 2.134 30 10 JEEE C=CCn1c(SCC(=O)N[C@@H](CO)[C@@H](O)c2cccnc2)nnc1-c1ccc(Cl)cc1 1557910657 FTCUDTASMHPZSB-HKUYNNGSSA-N 459.959 2.482 30 10 JEEE Cc1cccc(N(CCC#N)C(=O)Cn2c(Br)nc3c2c(O)nc(=O)n3C)c1C 1559454423 ARJGRHGTMQFSGH-UHFFFAOYSA-N 459.304 2.162 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccccc1OCC=C)[C@H]1CCS(=O)(=O)C1 1588053378 DPHBTOUWCUDJEC-UXHICEINSA-N 456.568 2.022 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H]1CCCO[C@H]1C(C)C)[C@H]1CCS(=O)(=O)C1 1588064318 FZIVEOSZZZUODU-RRPUWOKSSA-N 471.627 2.342 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1Cc1snnc1C)[C@H]1CCS(=O)(=O)C1 1588068886 BNQSAAKBABFKMH-SFHVURJKSA-N 486.623 2.309 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)c1ccc(F)cc1 1588233186 CIQGQNWKRZZZSH-NRFANRHFSA-N 487.601 2.191 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCCc2cnn(C)n2)CC1 1588907751 FMDAVIGWYLOCLH-UHFFFAOYSA-N 484.967 2.465 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](c1cccc(OC)c1)N(C)C 1589150641 IDPMTYJEODPAER-KPDCDPCYSA-N 474.631 2.192 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1589528497 GWTDXXMQSVDPPH-MJGOQNOKSA-N 456.595 2.290 30 10 JEEE C=C(C)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1593660848 VIQLOKBNSOCYFM-LEWJYISDSA-N 474.675 2.477 30 10 JEEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1595461038 MHMLKRYRYUSFTC-CVEARBPZSA-N 471.566 2.068 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@]2(O)CCOC2)C1 1595721188 CVBKZABAOYLMJH-IECBHUPTSA-N 477.606 2.325 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Br)s2)nnc1N1CC[C@@H](C(=O)OC)C1 1595773253 VUDNIOHWIYBQFQ-GFCCVEGCSA-N 489.417 2.369 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)[C@@H]1CCSC1 1595788545 CGUJNAAWHKWCCS-CQSZACIVSA-N 460.585 2.136 30 10 JEEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@H](C(C)C)C1 1595884276 JDOSMYKPQIUDBH-SJORKVTESA-N 475.706 2.108 30 10 JEEE CC(=O)N1CCN(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@H](C(F)F)C2)CC1 1596297820 WOFDJJVCMQXUAT-FQEVSTJZSA-N 487.555 2.374 30 10 JEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@@](O)(c2ccc(F)cc2)C1 1637377586 AQFHNYJJJWWQDR-CVDCTZTESA-N 459.543 2.399 30 10 JEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@@H](CC)[C@H](O)C(F)(F)F)nnc12 1638536120 RUFMVAQVWKMYET-WFASDCNBSA-N 455.462 2.140 30 10 JEEE C#CCN(C(=O)NCc1nc2cc(Br)ccc2n1CC)[C@H]1CCS(=O)(=O)C1 1680899337 GYUFWYTXURCICD-AWEZNQCLSA-N 453.362 2.151 30 10 JEEE C#CCC[C@H](O)CNC(=O)NC[C@@H]1CCCN1Cc1ccc(I)cc1 1682015070 YUEYHACDEUODRQ-ROUUACIJSA-N 455.340 2.329 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](c1ccccc1)N1CCOCC1 1689824012 FLAXOSDHJYQHKQ-TZIWHRDSSA-N 459.554 2.457 30 10 JEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1689892562 IETAFBKNQARRBU-LJQANCHMSA-N 470.574 2.321 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1CCCN(C)CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1689989344 DPSFAVIEKWSDTJ-MRXNPFEDSA-N 463.570 2.378 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCc1ccccc1OC)[C@H]1CCS(=O)(=O)C1 1689990889 SVNKCYWKRBUNMH-PMACEKPBSA-N 458.584 2.050 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1Cc1ncccc1N(C)C)[C@@H]1CCS(=O)(=O)C1 1689991748 BUYKFISCHQIFSR-OAQYLSRUSA-N 478.622 2.313 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1CC(C)(C)COC)[C@H]1CCS(=O)(=O)C1 1689996256 FYLLFMRZQWIYTI-IBGZPJMESA-N 460.600 2.465 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1[C@H]1C[C@H](c2ccc(F)cc2)C1 1690077628 SRQLZPVWIBOFKF-IHPCNDPISA-N 461.563 2.328 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccccn1 1690091276 NZFHXFPBZAJDQF-QFIPXVFZSA-N 498.584 2.028 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cn4ccccc4n3)n2CC(O)(CC)CC)CC1 1690150863 YDTGOLZUHVNYSE-UHFFFAOYSA-N 463.586 2.034 30 10 JEEE C#CCSCCn1c(Cc2ccccc2C)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1690176944 DQHRRACACRPNGN-UHFFFAOYSA-N 461.657 2.404 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1690237881 BTNVKNBJFLHDAN-IHPCNDPISA-N 490.586 2.353 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(CC(=O)NCC)CC1 1690247465 BGLBURIXJIBXQE-KOSHJBKYSA-N 488.583 2.386 30 10 JEEE C=C(Cl)Cn1c(N2CCC[C@@H](n3ccc(C(=O)NC)n3)C2)nnc1[C@]1(OC(C)C)CCOC1 1690358486 BPBKENRPCUTJOJ-VGSWGCGISA-N 477.997 2.469 30 10 JEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](COC(C)C)C1 1690644305 CWNKZWATUJVMBK-MSOLQXFVSA-N 451.568 2.403 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC2(O)CCOCC2)C1 1690688456 VQLHSPKCHNXVNM-OAHLLOKOSA-N 452.353 2.359 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(CC)CC(=C)C 1690723737 ZWDXTBDOPGGQBV-UHFFFAOYSA-N 456.572 2.195 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC2CC2)CCO1 1691255874 AWKYLPNDZDTWQL-HXUWFJFHSA-N 495.584 2.073 30 10 JEEE CC(C)N1CCC[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@H](C(N)=O)C2)C1 1692486199 FKHYJCSEAJTSDJ-VQTJNVASSA-N 451.575 2.161 30 10 JEEE CC[C@@H](C)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N(C)C)CC1)OC 1693955741 BURYDWRROHCSHM-NQIIRXRSSA-N 453.591 2.088 30 10 JEEE CCO[C@]1(c2nnc(N3CCC(Oc4cccc(C#N)c4)CC3)n2CC(=O)N(C)CC)CCOC1 1696059295 DWJBNCNBCQTRFR-RUZDIDTESA-N 482.585 2.328 30 10 JEEE COCCN(CCC#N)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@]1(O)CCO[C@@H]1C 1698058299 DNZRRIQVKRINEI-UZUQRXQVSA-N 451.531 2.242 30 10 JEEE CS(=O)(=O)N1CCO[C@H](c2nnc(N(CCC#N)CC3CC3)n2C[C@H]2CCCCS2)C1 1698312425 HAKGJUTUVNPQEJ-MSOLQXFVSA-N 468.649 2.027 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCN1C[C@H](C)O[C@H](C)C1 1705490109 CFSQKSWGWJILAU-QRVBRYPASA-N 463.586 2.149 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1(COC)CCOCC1 1705492370 PPCNTMFRLUYUBV-IBGZPJMESA-N 453.591 2.353 30 10 JEEE C#CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC(=O)N(C)C[C@H]1C 1705516628 GJQUELBIOAGDTE-MSOLQXFVSA-N 460.579 2.057 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1CCN1CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1705565819 WNWMOUXMJGTNGV-RBUKOAKNSA-N 457.600 2.065 30 10 JEEE C#CCN(c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C1CC1)[C@@H]1CCS(=O)(=O)C1 1705566888 RNVQSFJXPUPNRU-FUHWJXTLSA-N 463.604 2.354 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H](c2ccco2)N(C)C)CC1 1705648107 NVGFTJFOKZSECI-VQTJNVASSA-N 454.575 2.034 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(F)cc2)CC1 1705652832 OZKAATRJKWXUTM-FPOVZHCZSA-N 455.534 2.155 30 10 JEEE C#CCSCCn1c(COc2ccccc2OC)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1705666595 WMQGXWGTHZUURU-IBGZPJMESA-N 452.584 2.409 30 10 JEEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@](O)(c2ccc(C)cc2)C1 1705680424 AOAIUVHPJXPFAE-HNAYVOBHSA-N 484.420 2.203 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC(NC(=O)C(C)C)CC1 1705705436 HTJUBTBFKHNAOH-PGRDOPGGSA-N 458.607 2.123 30 10 JEEE C=CCCOCCn1c(-c2ccccc2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1705827705 OHKNZWQUGDTVGB-NRFANRHFSA-N 475.615 2.169 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1C[C@H](C)O[C@H](COC)C1 1705895762 REQXXQKYEBARMQ-YOEHRIQHSA-N 451.474 2.089 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC(C)(C)c1ccc2c(c1)OCCO2 1706870622 FUZSYFDWFDHXMQ-IVZQSRNASA-N 492.577 2.079 30 10 JEEE CCCNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)CCN1CCOC(C)(C)C1 1709829023 BDBAJEIGMVLILO-UHFFFAOYSA-N 453.591 2.280 30 10 JEEE CCO[C@]1(c2nnc(N3CCC(C#N)CC3)n2Cc2ccc(OCCO)c(OC)c2)CCOC1 1710446941 BSWOQTOOWBZFMJ-XMMPIXPASA-N 471.558 2.098 30 10 JEEE CCS(=O)(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2CCOCC2)CC1 1710890498 ABMMWAOAVSFKTL-UHFFFAOYSA-N 488.614 2.063 30 10 JEEE N#Cc1ccc(-c2nnc(N3CCNC(=O)CC3)n2Cc2cccnc2OCC(F)F)cc1 1712879540 DVAULWHDKPAPQY-UHFFFAOYSA-N 453.453 2.230 30 10 JEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1csc(CC)n1 1722317298 SDUXMHGYUXJWOF-QGZVFWFLSA-N 466.633 2.070 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](c2ccc(OC)cc2)C1 1722332122 DEDAUTPKGRJFHM-FPOVZHCZSA-N 473.599 2.027 30 10 JEEE C#CCCCn1c(N2CCC(C(=O)NCC#C)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1722338487 JLWWMNVVHXYSHS-BGYRXZFFSA-N 468.602 2.428 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCN(C)[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1722358934 GYNJJQXXDLMCNX-NQIIRXRSSA-N 454.600 2.174 30 10 JEEE C#CCN(c1nnc([C@@H](C)CC)n1CCOc1ccc2c(c1)OCO2)[C@H]1CCS(=O)(=O)C1 1722363860 HQKNPTCSMFBLIZ-IRXDYDNUSA-N 460.556 2.226 30 10 JEEE C#CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1722466115 ZUENPXDXUSHLNG-QFIPXVFZSA-N 476.624 2.247 30 10 JEEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)CC(=O)Nc1cccc(C)c1C 1722542575 DESVMWZHLVUYHY-HNNXBMFYSA-N 454.984 2.333 30 10 JEEE C=CC1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCCN2c2cc(NC)ncn2)CC1 1722572664 ATYAUOWSVVYPOM-SFHVURJKSA-N 453.595 2.319 30 10 JEEE C=CC[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)NCC)CC1)c1ccccc1 1722595500 WXXYVITWEAPEOT-PMACEKPBSA-N 451.575 2.441 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@]2(CCOC2)C1)C(C)C 1722663041 QLCOGBXSJGBJJS-PXDATVDWSA-N 472.634 2.208 30 10 JEEE COc1cc(OC)cc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCNC(=O)c2cccs2)c1 1730022586 GNUDKBIOFWLDIT-GOSISDBHSA-N 468.539 2.183 30 10 JEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](CN(CC)CC(F)(F)F)C1 1740592212 SZACMCPVKILULB-DLBZAZTESA-N 461.554 2.304 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(c2ccc(O)cc2)CC1 1740592486 YNYKYIXWRXHYTR-NRFANRHFSA-N 473.599 2.114 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(Br)cc2)n1CCCNS(=O)(=O)CC 1740633763 RZYBYMSBNCJINT-UHFFFAOYSA-N 464.389 2.110 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1c[nH]c2ccc(F)cc12 1740648256 FAOGBWLRWRMOMY-INIZCTEOSA-N 456.547 2.214 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CCCOCC1CCOCC1 1740653284 HPLPABGJBPUKDC-UHFFFAOYSA-N 453.543 2.302 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1CC(C)(C)C(=O)NCC 1740678523 DPAFTBVVQGXYOQ-UHFFFAOYSA-N 454.550 2.342 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Cl)c3)n2CC(C)(C)C(=O)NC)CC1 1740702841 ACKMPRPSIPOPST-UHFFFAOYSA-N 456.978 2.337 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(OC)c(OC(F)F)c2)CC1 1740704724 SLLQUEISTOUEPY-UHFFFAOYSA-N 497.506 2.359 30 10 JEEE C#CCSCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1740718430 OICDJIRSZJVVCQ-OTWHNJEPSA-N 488.658 2.474 30 10 JEEE C#CCSCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1740718992 FRICJDVWIYLMBI-UHFFFAOYSA-N 468.048 2.407 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1740754530 UFYAXXXWKGYJJF-VAXXYWNWSA-N 487.626 2.292 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2[nH]c(C)cc2c1 1740941163 DDXODQPDQKSJAS-NRFANRHFSA-N 488.614 2.088 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](C)N(C)Cc2ccccc2)C1 1740979326 CXPXTLYUCYDMEK-BAGYTPMASA-N 473.643 2.482 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1740987353 FKLZQWKFUVRHDW-RTWAWAEBSA-N 460.600 2.493 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1740994843 VDTRDXJIOUBDAZ-QUCCMNQESA-N 489.598 2.009 30 10 JEEE C=CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCCN(CC)C(=O)C1 1740997170 MZARARAETYHOQZ-UHFFFAOYSA-N 463.629 2.326 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC[C@H](OCC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1748817991 UJYCALOSPCBBCP-AQNXPRMDSA-N 452.621 2.250 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CC(C)(C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 1748819136 LHRRNNPLOXJQBT-NRFANRHFSA-N 470.643 2.013 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCNC(=O)c1cccs1 1748824424 AVRLUTMKWPZLPF-UHFFFAOYSA-N 480.981 2.426 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1CC1CCN(CC(F)(F)F)CC1 1748947972 BSYRVNQLQQZVAS-UHFFFAOYSA-N 479.507 2.286 30 10 JEEE C#CCN(CCOC)c1nnc(COc2ccc(C#N)cc2)n1Cc1nnc2n1CCCCC2 1748969665 XBBFHFVXCCNFGX-UHFFFAOYSA-N 460.542 2.181 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccccc2OC(F)(F)F)CC1 1749009845 LXYLUZQMBPWJPE-QGZVFWFLSA-N 490.486 2.142 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2CC2(S(C)(=O)=O)CCCC2)CC1 1749010640 UGKXAXTVNMJDNC-UHFFFAOYSA-N 461.632 2.259 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)CC1 1749018646 BWBUCKMKUWDDHW-KRWDZBQOSA-N 462.595 2.036 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1749132986 GKXOHNCIFJFJHE-RCZVLFRGSA-N 481.645 2.236 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(C)C)CC1 1749687751 ZHSYIPKSWIRGNE-LJQANCHMSA-N 476.647 2.422 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CCN(CC)C(=O)OC(C)(C)C)C1 1749716828 CMFNDDISZKQJTG-SFHVURJKSA-N 462.595 2.439 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1749739400 BGVDCSGQWBACSO-XLIONFOSSA-N 459.572 2.191 30 10 JEEE C[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1ccc(C#N)cc1)N1CCOCC1 1751121432 BQHYTRPPCWRDAV-GOSISDBHSA-N 460.542 2.154 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1Cc1c(CC)noc1C)[C@H]1CCS(=O)(=O)C1 1760183663 CRSXESJZOZFWLU-IBGZPJMESA-N 464.551 2.351 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(Br)cc2Cl)n1CCS(C)(=O)=O 1760197724 HUENTDIGZHDFAG-UHFFFAOYSA-N 455.765 2.478 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(=O)NCc1ccco1 1760202604 IJXQWPYOEWZRJW-LJQANCHMSA-N 480.569 2.375 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCN2CCCCC2=O)CC1 1760264048 ZSALVOKZUPDIQE-IFMALSPDSA-N 456.635 2.355 30 10 JEEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1760282972 XXCWZNORAOMYHJ-FQEVSTJZSA-N 475.565 2.341 30 10 JEEE C#CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC(S(=O)(=O)CC)CC1 1760284269 JXSKEVYTCQFGOI-UHFFFAOYSA-N 472.640 2.287 30 10 JEEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1760286022 YXAQOVJAOKUZLJ-VQTJNVASSA-N 450.568 2.343 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)CCNS(C)(=O)=O 1760321043 AYBNLLPSTGWYKJ-FXAWDEMLSA-N 468.023 2.489 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1CCS(=O)(=O)CC1 1760333759 IGIAOMUAMAJCMP-UHFFFAOYSA-N 480.660 2.465 30 10 JEEE C=C(C)COCCn1c(N2CCN(C(=O)OCC)CC2)nnc1[C@]1(OC(C)C)CCOC1 1760361022 DOQCDLRYWYXLCR-QFIPXVFZSA-N 451.568 2.190 30 10 JEEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 1760440693 OOVXWHFWPKRRCT-HOTGVXAUSA-N 450.565 2.231 30 10 JEEE C=CCCOCCn1c(-c2ccccc2F)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1760448367 ALGBQJNKSZHHSC-OAQYLSRUSA-N 456.566 2.420 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1snnc1C 1760481432 WMOIQAQQSDWOCG-SFHVURJKSA-N 489.627 2.012 30 10 JEEE C=CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(C(=O)OCC(C)C)CC1 1760509508 LQDFTKBZVFYBTN-UHFFFAOYSA-N 451.531 2.293 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC(C(=O)c2ccccc2)CC1 1760554049 PVUXCXDCWBVEON-UHFFFAOYSA-N 468.583 2.379 30 10 JEEE COCCN1C[C@@H](Cn2c(Cc3ccccn3)nnc2N(C)Cc2cccc(C#N)c2)CC1=O 1769881557 CAPBEFOARLLVDM-NRFANRHFSA-N 459.554 2.267 30 10 JEEE C=CCOc1cn(C[C@@H](c2ccc(O)cc2)N(C)C)c(CN2CCN(C(C)=O)CC2)cc1=O 1870387888 XSCFQSVGLOHBPJ-QHCPKHFHSA-N 454.571 2.086 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)Nc2ccccc2F)cn1CCNC(C)=O 1870757025 KBYXHRJCBZHQFC-UHFFFAOYSA-N 456.518 2.315 30 10 JEEE Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CCC(=O)N1CCN(c2ccc(C#N)cc2)CC1 1892139652 CMKTXWVMNOVHGW-OAQYLSRUSA-N 455.584 2.013 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1CO 2060127497 JAKLAIBXFHAZBS-GVDBMIGSSA-N 454.568 2.308 30 10 JEEE CC(C)(C)OC(=O)N1CC(C[C@@H](F)C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2124518873 CWSDCASNBPZLEG-OAHLLOKOSA-N 450.320 2.309 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]1NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2255752259 HPXUJHYFMXWVNT-YOEHRIQHSA-N 452.382 2.177 30 10 JEEE C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1csc(B2OC(C)(C)C(C)(C)O2)c1 2256618520 QTAMBWHRRGVEKJ-XJKSGUPXSA-N 454.398 2.280 30 10 JEEE C[C@@H]1CC[C@](NC(=O)OC(C)(C)C)(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2256665019 INAVKGNGXHBIKV-MPBGBICISA-N 452.386 2.281 30 10 JEEE CON(CCNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1C)C(=O)OC(C)(C)C 2267352563 GESLRAFLHWYGTN-UHFFFAOYSA-N 470.397 2.371 30 10 JEEE COCC[C@H](CNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2267366490 HFSOXEMLTVVESM-CQSZACIVSA-N 490.453 2.255 30 10 JEEE CC(C)(C)OC(=O)N[C@]12C[C@H]1CN(S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1)C2 2267466891 IRZWSCWCUKWPLK-BTYIYWSLSA-N 484.449 2.476 30 10 JEEE C[C@@H]1CC[C@H](CNC(=O)C(F)(F)F)N(C(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)C1 2267489517 WTEZSTPKBLMFCE-VXGBXAGGSA-N 461.315 2.362 30 10 JEEE CC(C)(C)OC(=O)NCC[S@](C)(=O)=NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1O 2267804145 RHPHSRBHTKPTFY-YTTGMZPUSA-N 468.381 2.454 30 10 JEEE CC(C)(C)OC(=O)N1CCC(SCC(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)CC1 2268643126 WJVZTWFYROTOCZ-UHFFFAOYSA-N 484.453 2.330 30 10 JEEE CO[C@H](CCNC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2268644861 CNQQAABOSRTSQS-OAHLLOKOSA-N 453.320 2.388 30 10 JEEE C[C@@H](c1nscc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C 2268789776 DGDWNJPWBRMDGE-ZFWWWQNUSA-N 469.413 2.237 30 10 JEEE Cc1c(C(=O)N2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281990945 UGWHXBMFCWCQGH-CVEARBPZSA-N 460.384 2.109 30 10 JEEE CCn1cc(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 2282007481 CFDPSYQHULIFNL-HUUCEWRRSA-N 466.363 2.280 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)[C@H](CO)CC1 2282009186 OOIOUJKZAYXFOG-HOCLYGCPSA-N 481.424 2.180 30 10 JEEE Cn1cc(C(=O)NC2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)nc1B1OC(C)(C)C(C)(C)O1 2282036615 LIFAMGRCXRMJQR-GJZGRUSLSA-N 460.384 2.095 30 10 JEEE Cn1cc(C(=O)NC[C@H]2CCN(C(=O)OC(C)(C)C)C2(C)C)nc1B1OC(C)(C)C(C)(C)O1 2282036871 OPIFPUNBVHJCEL-OAHLLOKOSA-N 462.400 2.485 30 10 JEEE CO[C@@H]1CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)c(F)c2)C[C@H]1NC(=O)OC(C)(C)C 2282472925 DUDWKVUVWDXCTN-QZTJIDSGSA-N 464.343 2.489 30 10 JEEE CCn1cc(C(=O)N2C[C@H](C)[C@H](CNC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2282541359 WVOQTTQYORHYEV-JKSUJKDBSA-N 462.400 2.435 30 10 JEEE CCn1cc(C(=O)N[C@@H]2C[C@H]3C[C@H]2CN3C(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2282541543 ZOIYDGYEYUITOE-ARFHVFGLSA-N 460.384 2.330 30 10 JEEE CN(C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCC[C@H]1CNC(=O)OC(C)(C)C 2282555059 NEEFKIYRXGNGGU-DOTOQJQBSA-N 462.400 2.485 30 10 JEEE CO[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2282677856 DWLKUCCZIVWKSC-AEFFLSMTSA-N 461.368 2.135 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)c3sccc3B3OC(C)(C)C(C)(C)O3)C[C@@H]2[C@H]1CO 2282686193 PGWUUQCFVWRUIX-YQQAZPJKSA-N 478.420 2.347 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1C[C@H](NC(=O)C(F)(F)F)CC[C@@H]1C 2282691877 PHWIZZIUNAKEFS-DZGCQCFKSA-N 457.302 2.479 30 10 JEEE CC(C)(C)OC(=O)N[C@]12C[C@H]1CN(S(=O)(=O)c1ccc(B3OC(C)(C)C(C)(C)O3)cc1F)C2 2282831785 DWOJSEZBQNZOFI-FPTDNZKUSA-N 482.383 2.413 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](NS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)C12CC2 2282833521 YBTNIVSSSIPDDU-HNNXBMFYSA-N 499.464 2.404 30 10 JEEE CC(C)(C)OC(=O)N1CC2(C1)CN(S(=O)(=O)Cc1ccc(B3OC(C)(C)C(C)(C)O3)cc1)C2 2282838479 OYPINNGAHJYIJU-UHFFFAOYSA-N 478.420 2.368 30 10 JEEE CC(C)(C)OC(=O)N1CC(Nc2ccc([N+](=O)[O-])c(B3OC(C)(C)C(C)(C)O3)c2)(C(=O)O)C1 2282937010 AFZQECLUBADNLP-UHFFFAOYSA-N 463.296 2.380 30 10 JEEE COC1(C(=O)N2Cc3ccc(B4OC(C)(C)C(C)(C)O4)cc3C2)CN(C(=O)OC(C)(C)C)C1 2283943198 VSIBDAVVFGTSIA-UHFFFAOYSA-N 458.364 2.464 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@H]1C(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)ccc1F 2284026326 BUGACLBXYIRJTJ-SJLPKXTDSA-N 464.343 2.281 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CC(NS(=O)(=O)c2ccc(C#N)cc2N)C1 2287639291 RAEUKWKRQVZHLL-UHFFFAOYSA-N 495.602 2.275 30 10 JEEE COc1ccc(C=NNc2cnn([C@@H]3CCS(=O)(=O)C3)c(=O)c2Cl)cc1Br 2322615773 XJVZUIKOJIIQCR-LLVKDONJSA-N 475.752 2.473 30 10 JEEE C=CCNC(=O)[C@H](Cc1ccc(OC(C)=O)cc1)NC(=O)C=Cc1ccc2c(c1)OCCO2 2323601743 RXURCMRVDBKPHD-NRFANRHFSA-N 450.491 2.426 30 10 JEEE CO[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)N(C(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C1 2337400133 OYIFMKRFXAPJBO-KBPBESRZSA-N 467.397 2.197 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1[C@@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2 2359278778 FDSOOTHOOQHTJF-BFYDXBDKSA-N 460.384 2.187 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2C[C@H]1C[C@H](NC(=O)OC(C)(C)C)C2 2362325255 CGOVSJNSJYTEBV-XHSDSOJGSA-N 460.384 2.237 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)n1C 2362492356 BDJXHUMBSQPOQB-WNSKOXEYSA-N 460.384 2.015 30 10 JEEE COc1ccc(NC(=O)CSc2nnc(N/N=C/c3cccc([N+](=O)[O-])c3)n2N)c(C)c1 20291904 CVKSMRNVHWFDIP-UFFVCSGVSA-N 456.488 2.394 30 10 JEEE COCCSc1nnc(NC(=O)CSc2n[nH]c(N/N=C/c3cnn(C(C)C)c3)n2)s1 20910748 UNWQMZVKISYQSY-UBKPWBPPSA-N 482.621 2.349 30 10 JEEE COC(=O)c1ccc(/C=N/Nc2nnc(SCC(=O)Nc3ccc(C)cc3F)n2N)cc1 20913398 KQJVNIIROYUGCR-AUEPDCJTSA-N 457.491 2.403 30 10 JEEE C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CCCN(c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 204870541 PJBGJMSMWLRYBS-IAGOWNOFSA-N 489.426 2.022 30 10 JEEE C[C@H]1C[C@H]2[C@@H]([C@H](O)C[C@]3(C)[C@@H]2CC[C@@]3(O)C(=O)COC(=O)CCC(=O)O)[C@@]2(C)C=CC(=O)C=C12 263599004 IMBXEJJVJRTNOW-IPJQFQMVSA-N 474.550 2.219 30 10 JEEE C=CCNC(=O)NC(=O)CN(CC(=O)NC(=O)NCC=C)C1CCC(c2ccccc2)CC1 515209701 OWYDWWFBOQTFPJ-UHFFFAOYSA-N 455.559 2.038 30 10 JEEE C=CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)NCc2c(C)nn(-c3ccccc3)c2C)cc1 918970520 VNTKNAWWSODPQP-UHFFFAOYSA-N 482.562 2.427 30 10 JEEE CCOC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1 1201249284 BKGXDBQCNLDKIH-KXBFYZLASA-N 451.483 2.320 30 10 JEEE N#Cc1ccc(F)c(CS(=O)(=O)N2CCC[C@H](NS(=O)(=O)c3cccc(F)c3)C2)c1 1209342667 HIGGALUZSCSDFX-KRWDZBQOSA-N 455.508 2.109 30 10 JEEE C#CCCCCn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 1286321796 BENMGHNUFNXLRL-VSKRKVRLSA-N 456.635 2.402 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1CCN(C)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1286384346 IDERUNLJTIQOQN-IAGOWNOFSA-N 453.609 2.285 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCN(C)c1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1286396836 WQDJPJKYHZYOPI-RTBURBONSA-N 475.590 2.074 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC2CCCC2)cc1 1286448120 PTWZABJKUPWDDP-JOCHJYFZSA-N 487.626 2.440 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cccc(O)c1 1286466685 IOELRSWKXNJZPN-HXUWFJFHSA-N 471.558 2.426 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2CC2CCN(C(=O)OC)CC2)CC1 1286493943 JGTVVUKGUJEFKS-UHFFFAOYSA-N 470.618 2.455 30 10 JEEE C=C(Br)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(CC(=O)NCC)CC1 1286541036 VUDRNJWITOKCMJ-UHFFFAOYSA-N 483.361 2.314 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCCCN2CCCC2)CC1 1286646288 OSYXNSCAJTYRRJ-FQEVSTJZSA-N 466.652 2.034 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1n[nH]c(C)n1 1286740685 ULBHKXWJVARQMS-GOSISDBHSA-N 471.587 2.051 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccncc1 1286746483 ZBJKICPVVBUJQC-JOCHJYFZSA-N 482.610 2.441 30 10 JEEE C=CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1COc2ccccc2O1 1286766685 VOEXRRRTSYACIN-KRWDZBQOSA-N 450.499 2.404 30 10 JEEE CCC[C@H](C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1293849485 BRRZSDAOIMNUAW-LPHOPBHVSA-N 451.531 2.010 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1C[C@]1(OC)CCOC1)[C@@H]1CCS(=O)(=O)C1 1300490062 YRLNIPRVRBBAAQ-VGOFRKELSA-N 495.001 2.039 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@@H]1CN(Cc2ccccc2)CCO1)[C@@H]1CCS(=O)(=O)C1 1300496659 SYPSDZFDTRUGLS-PKTZIBPZSA-N 499.681 2.394 30 10 JEEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CCCN(C)C(=O)OC(C)(C)C 1300532317 RHHOPUAUPXBSQX-UHFFFAOYSA-N 454.531 2.336 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cccc(CS(C)(=O)=O)c1 1300596799 WYKYWDJYMFAEFH-VXKWHMMOSA-N 470.595 2.058 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCNC(=O)c1cccs1 1300664881 GJOUYLISWYJPBS-UHFFFAOYSA-N 467.551 2.294 30 10 JEEE C=C(Br)Cn1c(CC2CC2)nnc1N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 1300852792 DCQODGZWYKDNDD-MRXNPFEDSA-N 476.441 2.016 30 10 JEEE C=C(C)COCCn1c(Cc2ccccc2F)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1300994440 TUMGTPBDUZSBNG-OAQYLSRUSA-N 470.549 2.367 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCN(CCN2[C@@H](C)CC[C@@H]2C)CC1 1301491867 PIYOERMNSYMASB-SFTDATJTSA-N 481.645 2.251 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(COc3cc(C)ccc3C)n2CCN2CCCS2(=O)=O)C1 1301567104 UFLYGTWRJZRDHP-FQEVSTJZSA-N 475.615 2.291 30 10 JEEE CC(C)NC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1303452856 ABKJEMVLSNVEHN-SFHVURJKSA-N 468.558 2.028 30 10 JEEE CCc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1C[C@H]1CCCN1CCCO 1306179721 BKLQHHUIJLVANI-HSZRJFAPSA-N 451.619 2.271 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1CCOc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1358961446 ZGXKKFGJOBVQHO-GOSISDBHSA-N 467.551 2.054 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@@H]1CCC[C@@H](O)C1)[C@@H]1CCS(=O)(=O)C1 1358968015 XRFAKTAMUVGXEK-NJDAHSKKSA-N 472.611 2.343 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2CCCCn2cc(Br)cn2)CC1 1359034208 IDWBWQFWHUANDR-UHFFFAOYSA-N 457.380 2.468 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@H](C)CN2CCCC2)CC1 1359038640 DFDAEXZUZSJVNB-NRFANRHFSA-N 452.603 2.353 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2C[C@H](C(C)C)N2CCOCC2)CC1 1359038910 PSEJCJPCLBHLMR-JOCHJYFZSA-N 470.593 2.108 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCN(C)[C@@H](C)CC)CC1 1359043481 VLHIRKKTZQCMKA-IBGZPJMESA-N 480.613 2.412 30 10 JEEE C#CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1359052723 OBVBRXSDMNWPPR-HSZRJFAPSA-N 468.583 2.135 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](OCc2cccc(OC)c2)C1 1359057235 VRYJUYZTTDJFPY-TZIWHRDSSA-N 490.651 2.351 30 10 JEEE C=C(C)COCCn1c(CCc2ccccc2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1359135435 CVXALZFBOJNEAD-QFIPXVFZSA-N 466.586 2.423 30 10 JEEE C=CCCCCn1c(N2C[C@H](C)[C@H](N3CCN(C(C)=O)CC3)C2)nnc1[C@@]1(OCC)CCOC1 1359206876 SAGCERFIYFGHRX-NIRIFSCTSA-N 474.650 2.275 30 10 JEEE C=CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1359210028 HLFKDIAGOOPMPV-UHFFFAOYSA-N 467.530 2.091 30 10 JEEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1CCN(CCN(C)C)CC1 1359233330 ABNJMRVWDBKTPB-UHFFFAOYSA-N 460.648 2.244 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(C2CC2)C(=O)C1 1359292263 LTBHZBGXNOEEFO-HNNXBMFYSA-N 458.950 2.185 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 1359297542 TZFXCSOHOCSYAA-UNMCSNQZSA-N 493.656 2.373 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N(C)[C@@H](C)c1cc(F)ccc1F 1359326697 IEPAJIJIDLUYNF-AWEZNQCLSA-N 455.531 2.493 30 10 JEEE C#CCOc1cccc(NC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2OCC)c1 1360374318 VYJCWMBJXFILBH-UHFFFAOYSA-N 457.552 2.286 30 10 JEEE C#CCN(CC)C(=O)[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 1442129806 ACDNYGGYQCUKBH-NRFANRHFSA-N 454.508 2.447 30 10 JEEE N#C[C@]1(F)CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Br)s3)C2)C1 1459015545 GVUQJSBSHZXCMQ-IAQYHMDHSA-N 450.355 2.375 30 10 JEEE CCOC(=O)c1cc2n(n1)C[C@@H](C)N(C(=O)N[C@@H]1CCCN(c3ccc(C#N)cc3)C1=O)C2 1469762190 FFNCFTZACCHMLA-DNVCBOLYSA-N 450.499 2.041 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H](C)CNC(=O)OC(C)(C)C 1497085796 GZEIFSGOPTZZFH-WBVHZDCISA-N 463.583 2.086 30 10 JEEE CCN(CC)[C@H](C)Cn1c(CN2CCCC2=O)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1501805623 CCSZFSGOZGKRTJ-OAQYLSRUSA-N 478.645 2.325 30 10 JEEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCSCc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1507633551 STJYLBLKEANNIX-VQTJNVASSA-N 487.651 2.098 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1c(F)cccc1N1CCCC1 1507702191 GXAHGSPTFLFKFK-UHFFFAOYSA-N 454.550 2.388 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NC2CCCCC2)CC1 1507734757 WVCVAFKNHWIKCD-UHFFFAOYSA-N 473.581 2.231 30 10 JEEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1507747914 JQUJRQBIFQMJFV-UHFFFAOYSA-N 465.627 2.174 30 10 JEEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N1CCC(C(=O)NCCC)CC1 1507842975 GBBBTQFAWHLLTJ-UHFFFAOYSA-N 458.563 2.341 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1507920863 ODSVYYZQXRTCCO-ZCNNSNEGSA-N 461.607 2.432 30 10 JEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1508058807 GEPLOVPVCFMFHP-UFYCRDLUSA-N 476.622 2.320 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC=C(C)C1 1508146175 VCIVSNIVIKFEPJ-GOSISDBHSA-N 481.619 2.344 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCc3ccccc3CC2)nnc1[C@]1(OCC)CCOC1 1508147757 BQQMAVZKWHAVSZ-QHCPKHFHSA-N 460.600 2.136 30 10 JEEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@](O)(c2ccc(F)cc2)C1 1508152151 IZRRPDXYYQQDBP-FOIQADDNSA-N 469.608 2.045 30 10 JEEE C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CCC(N)=O)CC1)N1CCOCC1 1510027760 BFQILMNHIFXXRB-GOSISDBHSA-N 451.575 2.019 30 10 JEEE C[C@](O)(Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@](F)(C#N)C1)c1ccc(F)cc1 1510231478 BOBSWZKDRZCTCY-FCHUYYIVSA-N 453.453 2.414 30 10 JEEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)N(C)C2CC2)C[C@@H](C)O1 1518939375 DDNOPIRHHMPBNZ-HMFYCAOWSA-N 454.575 2.452 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@H](C)CN2CCCC2)c1 1539042366 FIIXOMMQVYAAJU-WIYYLYMNSA-N 463.586 2.017 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H](C)N(C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1539216244 PTPXWICGDFPCGD-CTNGQTDRSA-N 466.611 2.420 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(F)cc3Br)n2CC2(O)CCOCC2)CC1 1539436127 KFOQGWXBUWAQPH-UHFFFAOYSA-N 478.366 2.143 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@]2(O)CCO[C@@H]2C)CC1 1539470652 UKTMTFJGBNYTAG-VOIUYBSRSA-N 489.523 2.052 30 10 JEEE C#CCSCCn1c(N2CCN(C3CCN(C(C)C)CC3)CC2)nnc1[C@]1(OCC)CCOC1 1539531238 SOCJKKXRTJDTFP-VWLOTQADSA-N 490.718 2.291 30 10 JEEE C=C(C)COCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC(=O)N(C)[C@H](C)C1 1539721704 DMLBZVPROFLYCM-MRXNPFEDSA-N 460.966 2.121 30 10 JEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(OC)c(F)c1 1540005795 OMHNTCLUNGZYFX-LJQANCHMSA-N 467.567 2.361 30 10 JEEE C=CCCOCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)OC)CC1 1540037540 NSSYGTMHJLKHFJ-SFHVURJKSA-N 494.593 2.068 30 10 JEEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCN(c2nc(C)c(C)s2)CC1 1540039613 CTYUERKSZMVHFL-UHFFFAOYSA-N 459.620 2.393 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1540869523 PCQSBBIWRNCHJA-RTBURBONSA-N 492.628 2.286 30 10 JEEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1540872640 VVYZDTGLQKVPFQ-QGZVFWFLSA-N 472.540 2.192 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(c2cc(C)nc(C(C)C)n2)CC1 1540901667 LSUFFRLKTDQQEU-UHFFFAOYSA-N 459.620 2.305 30 10 JEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@H]1c1cccc(OC)c1 1540907114 LUDLWVIFZOQMBW-FQEVSTJZSA-N 473.599 2.351 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1Cc1ccccc1CN1CCCC1=O 1541925314 AKLNWMYQVLMNRK-SFHVURJKSA-N 499.641 2.189 30 10 JEEE C#Cc1cccc(NC(=O)CNC(=O)c2cnnn2C2CCN(C(=O)OC(C)(C)C)CC2)c1 1544812292 PRMJSIBRHJGMAA-UHFFFAOYSA-N 452.515 2.200 30 10 JEEE CCO[C@]1(c2nnc(N3CCC(CC#N)CC3)n2Cc2cccc(C(=O)NC)c2)CCOC1 1547887894 DEISMLHGKGIALH-XMMPIXPASA-N 452.559 2.468 30 10 JEEE Cc1nn(C)cc1C(=O)N1C[C@H](C(N)=O)C2(CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)C1 1548375073 AVACBRKQGADANU-LJQANCHMSA-N 474.487 2.463 30 10 JEEE CCS(=O)(=O)N1C[C@H](C(=O)NC)C2(CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)C1 1548375838 XOSYBVQBKPSDEG-QGZVFWFLSA-N 458.506 2.191 30 10 JEEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H](C)NC(=O)c2ccc(Br)s2)n1 1568521799 KLKZECWEXVCQDD-CYBMUJFWSA-N 453.362 2.134 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCS(=O)(=O)C(C)(C)C 1587575450 VREOVKPSHLTROW-OAHLLOKOSA-N 480.660 2.218 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1Cc1ccc(C(N)=O)nc1 1587621708 XQXCSTBAVTWHIF-MRXNPFEDSA-N 470.537 2.236 30 10 JEEE C#CCN(c1nnc(Cn2ccc3ccccc32)n1CCCCCO)[C@H]1CCS(=O)(=O)C1 1588068847 AQFWEUJMVUVTTC-FQEVSTJZSA-N 455.584 2.070 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2C[C@@H]2COCCO2)CC1 1588892202 ZEOIHRXGXRQBSD-IFMALSPDSA-N 481.597 2.416 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2C[C@H](C)CN2CCOCC2)CC1 1588947793 XACQKRFPUXTKRP-OAQYLSRUSA-N 478.641 2.111 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(N2CCN(c3ccc(C(N)=O)cn3)CC2)nnc1C(C)(C)C 1589578060 FLUSVYHCFNSTEX-AZUAARDMSA-N 453.591 2.377 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC2CCOCC2)CC1 1594497358 GBATZYLWCRTVFS-FQEVSTJZSA-N 465.664 2.331 30 10 JEEE C=CCCOCCn1c(Cc2ccccc2F)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1594820309 ZKQOURQSAGPGOB-IBGZPJMESA-N 456.522 2.073 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cnn(C)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1595076247 YRVXJHAXAOZCKZ-HXUWFJFHSA-N 485.614 2.304 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H](C)CC[C@@H]1C 1595497045 OISKRNYCMYYLRK-IRXDYDNUSA-N 460.604 2.122 30 10 JEEE Cc1ccnc(OC2CCN(c3nnc(-c4cccc(C#N)c4)n3CCS(=O)(=O)N(C)C)CC2)c1 1612320993 FFYYBNLJVATDLJ-UHFFFAOYSA-N 495.609 2.459 30 10 JEEE CCN1CCN([C@H]2CCN(c3nnc(COc4ccc(C#N)cc4)n3C[C@@](C)(O)C(C)C)C2)CC1 1615875146 CSXMKSXVEORKTM-BKMJKUGQSA-N 481.645 2.352 30 10 JEEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C)=C(Br)C1 1618839752 FFIQPRITLVYOSX-UHFFFAOYSA-N 465.377 2.245 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(C(=O)NC(C)C)n1CC1CCN(C(C)=O)CC1 1619898043 DSLMULSJZMKFOP-UHFFFAOYSA-N 481.601 2.199 30 10 JEEE C=CCN1CC[C@@H](N(C)C(=O)c2cccc(S(=O)(=O)Nc3ccc4c(c3)OCO4)c2)C1=O 1639593767 CFWAJOCORBPVGR-GOSISDBHSA-N 457.508 2.075 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1c(C)nn(C)c1C 1649540463 WVCDNESLEHZBQL-AWEZNQCLSA-N 454.604 2.403 30 10 JEEE N#C[C@@H]1CN(S(=O)(=O)C2CN(C(=O)c3cccc(Cl)c3)C2)CCN1Cc1ccccc1 1661508520 CUPSYLSHYQWOIS-HXUWFJFHSA-N 458.971 2.204 30 10 JEEE C=CC[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)c1ccncc1 1677731261 QHTAPNYLLBTWCH-LJQANCHMSA-N 458.540 2.186 30 10 JEEE C#CCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1689935553 KCTPRSJGZBNCEN-HSZRJFAPSA-N 484.670 2.070 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H]1CCCO[C@@H]1C(C)C)[C@@H]1CCS(=O)(=O)C1 1689986085 IKRUVCCSBJWSKV-QKNQBKEWSA-N 457.600 2.418 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1C[C@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1689996276 GIUWNHGMUSXFRN-WMZHIEFXSA-N 460.600 2.262 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2C[C@@H](C)CN2CCN(CC)CC2)CC1 1690133820 VFZSJLARBQGOEN-QFIPXVFZSA-N 483.636 2.025 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC(=O)NCCC)CC1 1690137312 UJFIODZINPYXHN-QGZVFWFLSA-N 470.549 2.049 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2Cc2snnc2C)CC1 1690152405 JSHLMFNGSSJYFF-UHFFFAOYSA-N 469.546 2.170 30 10 JEEE C#CCSCCn1c(Cc2ccccc2F)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1690176803 APPVRQVOMAMOSF-IBGZPJMESA-N 477.631 2.379 30 10 JEEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 1690188470 JLJLOFIQBRGXDJ-PWRODBHTSA-N 474.675 2.313 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CCOC)Cc1ccco1 1690228765 FJOFCKKXBJOMED-CQSZACIVSA-N 459.366 2.335 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc(CN2CCCC2=O)n1CCN1CCOC[C@@H]1C 1690571754 HXQPWRURRSTFPG-IBGZPJMESA-N 456.566 2.453 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1690671522 XXRRQRQNLLGJRW-XUVXKRRUSA-N 487.649 2.368 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1690715640 PYQCWXOAENADRX-MOPGFXCFSA-N 496.655 2.259 30 10 JEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@H](C)c2nccs2)CC1 1690747082 SDRNCMPUQSAIQN-SJORKVTESA-N 482.701 2.439 30 10 JEEE CCC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1)OC 1695094024 BIGQTLNWWKBLBJ-VXKWHMMOSA-N 465.602 2.375 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1nc(C(F)(F)F)cs1)[C@H]1CCS(=O)(=O)C1 1705564897 FJNBTSXVQCZZHP-KBPBESRZSA-N 489.545 2.322 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2CCN(C)CC(F)(F)F)CC1 1705642932 MTPSJCTXIWQRII-UHFFFAOYSA-N 466.508 2.115 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2Cc2ccc(CS(C)(=O)=O)cc2)CC1 1705648228 SMSZXLQMZBORQY-UHFFFAOYSA-N 483.638 2.494 30 10 JEEE C=CC1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CCOCCCO)CC1 1705780578 RYMNWNDHRFBSHM-UHFFFAOYSA-N 452.559 2.476 30 10 JEEE C=CCC(C)(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1705788752 LWXMOUICZFXDPY-QGZVFWFLSA-N 458.588 2.165 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCC2(CC1)COC(=O)N2)C(C)C 1705867709 UCXLGFJETSDQKY-FQEVSTJZSA-N 485.633 2.292 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1705902454 FJSQQDQTQOQUJY-MOPGFXCFSA-N 498.632 2.422 30 10 JEEE Cc1ccc(-c2nnc(N3CCN(c4nccnc4C#N)C[C@H]3C)n2CCC(=O)NC(C)C)o1 1707366242 FKEDOGRYFCQCJO-MRXNPFEDSA-N 463.546 2.138 30 10 JEEE C#CCN(c1nnc(C(C)C)n1CC1CCN(c2ccncc2)CC1)[C@@H]1CCS(=O)(=O)C1 1722358473 HXVQKMVHKYRDMX-OAQYLSRUSA-N 456.616 2.340 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1CCC(=O)NC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1722364004 WDIMLDYYELXSNV-SFHVURJKSA-N 457.600 2.185 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1CCN(C)CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1722364022 DKURPPDTGAXMRE-QGZVFWFLSA-N 487.523 2.129 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCCN(C(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1722367731 XJFDWBYWDULFBJ-TZIWHRDSSA-N 490.699 2.381 30 10 JEEE C#CCN(c1nnc(COc2ccccc2OC)n1Cc1ncccc1C)[C@H]1CCS(=O)(=O)C1 1722370350 NLSRGGKIZBJLDQ-IBGZPJMESA-N 481.578 2.244 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@]2(O)CCC[C@@H]2C)CC1 1722429828 STAXQZKPTNWQJT-NBGIEHNGSA-N 450.587 2.454 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CC(O)(CC)CC)CC1 1722445049 JZJQKLBWCMSPBJ-UHFFFAOYSA-N 467.570 2.233 30 10 JEEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1722461764 PZZNQMHUUXUUMG-UHFFFAOYSA-N 474.537 2.034 30 10 JEEE C=C(Br)Cn1c(N2CCN(C(=O)NCC)CC2)nnc1[C@]1(OC(C)C)CCOC1 1722488609 IZVORSMINIZMFU-IBGZPJMESA-N 471.400 2.079 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C1Cc2ccccc2C1 1722490956 GBRNERJMOJYKGL-SCWSEQNSSA-N 459.616 2.473 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCCN(CC)C(=O)C1 1722500587 CIGMLODACPURJK-LAUBAEHRSA-N 472.615 2.309 30 10 JEEE C=CC[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)NC)CC1)c1ccccc1 1722594382 KNWBOHGUIVGONA-PXNSSMCTSA-N 474.631 2.211 30 10 JEEE C=CCCOCCn1c(-c2cccn2C)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1722626074 HVUBPQAYGBXCTQ-UHFFFAOYSA-N 469.634 2.401 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCCC[C@@H](C)C1 1722693319 JZIVPUVPJJKFGU-QGZVFWFLSA-N 460.604 2.124 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(N2CCNC2=O)CC1 1722728970 CNTIJBYIGAPXER-UHFFFAOYSA-N 493.033 2.117 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CCC1CC1 1723942328 CKEWVCLXUDWDSH-KRWDZBQOSA-N 457.604 2.277 30 10 JEEE Cc1cc(C)cc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CC2CCN(CCN(C)C)CC2)c1 1724187775 CHRMPGGAHKLXPF-XMMPIXPASA-N 481.645 2.476 30 10 JEEE CCC[C@@](C)(O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1727893864 AQNIPDXCJROOKT-XMMPIXPASA-N 469.565 2.403 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2C[C@H](C)N2CCN(CC)CC2)c1 1740562439 KACXAIOZCIXKAV-GMAHTHKFSA-N 493.656 2.254 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2CCCN2CCC)c1 1740562972 PBNCRJKHNXXCAF-LEWJYISDSA-N 463.586 2.160 30 10 JEEE C#CCCCCn1c(COc2ccccc2F)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1740578609 DHGOZPLNHGLHRM-UHFFFAOYSA-N 451.506 2.386 30 10 JEEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccc(N2CCCC2)nc1 1740601970 BOFBUVPPAIIDMY-UHFFFAOYSA-N 450.568 2.462 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1Cc1ccc(OC)nc1)[C@H]1CCS(=O)(=O)C1 1740618700 ATOJZDIRDCJDBJ-SFHVURJKSA-N 497.577 2.041 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@@H]1CCO[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1740619411 OFECONNRRUFJQH-NLWGTHIKSA-N 458.584 2.396 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@H]1CSCCS1)[C@H]1CCS(=O)(=O)C1 1740626277 WLMXZHWWPIPZCC-IRXDYDNUSA-N 468.695 2.406 30 10 JEEE C#CCN(CC#CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H]1CCC(=O)N1 1740655216 BNKSDULDVZNCSG-LJQANCHMSA-N 454.575 2.134 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCOC3)n2C[C@@H]2OCCC2(C)C)n1 1740689597 YLEAMINFIITAKY-FPOVZHCZSA-N 456.591 2.470 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(F)cc3Br)n2CCCN2CCOCC2)CC1 1740692345 ILYCYSPMAOLBQZ-UHFFFAOYSA-N 491.409 2.324 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H](C)CN(C)C(=O)OC(C)(C)C)CC1 1740694585 NUWZKJBKOOHEQG-UXHICEINSA-N 460.623 2.430 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)CC1 1740702390 NKVCZJJFXGAAAL-IBGZPJMESA-N 468.577 2.025 30 10 JEEE C#CCSCCn1c(COc2cc(C)cc(C)c2)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1740721459 JTXJYRAAOWRKTK-FQEVSTJZSA-N 472.636 2.467 30 10 JEEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1740737626 SWOMNXCVZFPEBV-HNNXBMFYSA-N 453.385 2.164 30 10 JEEE C=C(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1740781255 XGSPZXJETSEOOJ-LSDHHAIUSA-N 454.622 2.072 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCSC[C@H]1C 1740988522 HQJRQNSZHTWETO-OAHLLOKOSA-N 450.586 2.259 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 1740993171 USUJTXJFXBIQJA-LJQANCHMSA-N 490.630 2.216 30 10 JEEE CCNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCC[C@@H]2OC)CC1 1746531202 BVCQWOJAOBZDKC-FPOVZHCZSA-N 467.574 2.395 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCOCC1CCOCC1 1748656186 NRTMPRVWEQRXTO-GOSISDBHSA-N 450.547 2.212 30 10 JEEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1748752474 XWWTUXQJCIMMDH-IMWIBFENSA-N 475.590 2.384 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@]1(OC)CCOC1 1748844034 NBMXSEIRQAMOPH-NTKDMRAZSA-N 457.575 2.271 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](CC)Oc1ccccc1F 1748929707 OCNZFDASZKNZRS-PXNSSMCTSA-N 479.578 2.067 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1CCNC(=O)OC(C)(C)C 1748941084 WVWUJPDLIJBGHK-INIZCTEOSA-N 494.593 2.192 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H]2CCC[C@@H]2OC)CC1 1748972737 POAVJKRVQIKWLH-CTNGQTDRSA-N 471.005 2.432 30 10 JEEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H](C)CN2CCN(CC)CC2)CC1 1748992816 HBMRKWJPQWIYCQ-NRFANRHFSA-N 485.627 2.176 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@](C)(O)c1ccccc1 1749159153 PXQWSMCDBDMKJU-NZQKXSOJSA-N 477.631 2.311 30 10 JEEE C=CCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1749358014 AHWUYBDCBZCRAV-UHFFFAOYSA-N 454.623 2.415 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 1749676376 OEHAFOAQAHIONO-LJQANCHMSA-N 469.590 2.307 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1749726125 XRSRZYJLFHOZEB-LSDHHAIUSA-N 475.036 2.457 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1749729186 DCFIWSKWCFDDKR-UHFFFAOYSA-N 484.557 2.042 30 10 JEEE C=CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1749746458 ZDKNXMYUNGFGRN-IBGZPJMESA-N 472.640 2.444 30 10 JEEE CC(=O)N1CCN([C@@H]2CN(c3nnc(CC(C)(C)C)n3Cc3ccc(C#N)o3)C[C@@H]2C)CC1 1749884220 OVJABXDURHOXQC-LAUBAEHRSA-N 453.591 2.368 30 10 JEEE C[C@]1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H](CNS(C)(=O)=O)C2)CCCO1 1751302502 BVSCGJHTYLUSSS-XMSQKQJNSA-N 458.588 2.151 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CC1(N(C)C)CCCC1)[C@H]1CCS(=O)(=O)C1 1760182211 CERGEUCGPCZEGT-SFHVURJKSA-N 477.034 2.495 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H](C)c1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1760185322 VGAGOZBFRRPFJM-QAPCUYQASA-N 454.556 2.375 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](c2cccs2)N2CCCC2)CC1 1760252210 NUNTXHWBWPVVHW-IBGZPJMESA-N 455.632 2.070 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CC(O)(CCC)CCC)CC1 1760255527 CZULBBCHCSBILH-UHFFFAOYSA-N 463.590 2.007 30 10 JEEE C#CCSCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN2CCOC[C@@H]2C1 1760280159 CYRJYSIVMGSFIO-FQEVSTJZSA-N 490.674 2.280 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(Cc1ccco1)C[C@H]1CCCO1 1760281759 RBIMYXMIFXXXOI-IEBWSBKVSA-N 464.613 2.325 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOC(C)C)CC1 1760411724 CDPVUYPUOMCKHG-LJQANCHMSA-N 453.653 2.330 30 10 JEEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1760431248 IWVBLBYGNUJHAT-FQEVSTJZSA-N 452.607 2.496 30 10 JEEE C=CCCOCCn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1760447926 SHMJGQZBGYAIKW-HOCLYGCPSA-N 463.380 2.354 30 10 JEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CCOC(C)C)CC1 1760510187 JOPDYKLWDPRBSA-IBGZPJMESA-N 464.611 2.320 30 10 JEEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CCO)Cc1cc(Br)ccc1F 1760510433 XSIOJVGNPVVFOM-CYBMUJFWSA-N 473.368 2.267 30 10 JEEE CCCC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)C(C)C)CC1 1763682973 HHECHYDQSFXNFG-UHFFFAOYSA-N 451.575 2.474 30 10 JEEE CCc1noc([C@H](C)N2CCN(c3nnc(-c4ccc(C#N)cc4)n3CCNC(=O)C(C)C)CC2)n1 1764967766 GGDHVUOZTMNLPD-SFHVURJKSA-N 491.600 2.418 30 10 JEEE CN1CCC[C@H]1C(=O)N1CCN(c2ccc(C(=O)Nc3ccc(C#N)cc3)cc2[N+](=O)[O-])CC1 1860879081 QSASZHOKYSXRIX-NRFANRHFSA-N 462.510 2.462 30 10 JEEE COc1cc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCN2CCOCC2)cc(OC)c1O 1862681305 XLFWNPOGHZEBRL-OAQYLSRUSA-N 486.496 2.459 30 10 JEEE O=C(C1=C(O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccc2c(c1)OCCO2)c1cccc([N+](=O)[O-])c1 1862745189 CQNBKQZIPIPKBD-QFIPXVFZSA-N 495.488 2.277 30 10 JEEE C=CCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(N3CCN(C)CC3)ncnc21 1873561333 LJRWDNLCIQXDDB-UHFFFAOYSA-N 475.597 2.340 30 10 JEEE C=CCn1c(C(=O)N2CCC3(CC2)OCCO3)cc2c(N3CCN(c4ccccn4)CC3)ncnc21 1873562827 VHGRHPJIKKPBAE-UHFFFAOYSA-N 489.580 2.318 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)CSc2nnc(Cc3cccs3)n2N)nc1C 1874544200 JHUFQUXJNJTXCA-UHFFFAOYSA-N 450.571 2.483 30 10 JEEE CCOc1cccc(-c2cn([C@H]3CCCN(C(=O)C[C@@H]4S/C(=N\C)N(C)C4=O)C3)nn2)c1 2087926114 DZWLFILRQUVJHC-SRZINMIASA-N 456.572 2.457 30 10 JEEE COC(C)(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2124532733 MACCNVMINALSOF-AWEZNQCLSA-N 450.345 2.033 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1COCCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2255832243 JKWHYOWGAJLLJN-OAHLLOKOSA-N 452.382 2.413 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2O)s1 2267094590 IEJYEBNBJFNVAA-HZPDHXFCSA-N 466.409 2.456 30 10 JEEE CC(C)(C)OC(=O)NC[C@]1(F)C[C@H](CNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2267220559 LUABDJAFQAOAHA-KIFPSNHUSA-N 452.336 2.082 30 10 JEEE C[C@H]1CC[C@@H](CNC(=O)C(F)(F)F)N(C(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)C1 2267489515 WTEZSTPKBLMFCE-RYUDHWBXSA-N 461.315 2.362 30 10 JEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)CCN1C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2267590460 OULHLPBQGNNACK-UHFFFAOYSA-N 486.421 2.070 30 10 JEEE CO[C@@H]1C[C@H](C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)N(C(=O)OC(C)(C)C)C1 2268637023 JHFYFLZECITPER-UKRRQHHQSA-N 467.397 2.083 30 10 JEEE Cn1cc(C(=O)N2CCC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)c(B2OC(C)(C)C(C)(C)O2)n1 2281975737 RAHGRMKRPGORQH-NVXWUHKLSA-N 460.384 2.191 30 10 JEEE C[C@@H](NC(=O)OC(C)(C)C)C1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)CC1 2281980388 JHZFFMITCNLXCM-OAHLLOKOSA-N 462.400 2.485 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2CN(Cc3ccccc3)C[C@H]2C1 2282013543 ASNOCCBZEFDNGU-PMACEKPBSA-N 450.392 2.232 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(CCNC(=O)OC(C)(C)C)CC(F)(F)F 2282042891 KEUXQOGWXROUKZ-UHFFFAOYSA-N 476.305 2.249 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@](C)(CNC(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282188079 QTTICILHHBXBIK-HSZRJFAPSA-N 461.368 2.137 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H](NS(=O)(=O)Cc3ncsc3B3OC(C)(C)C(C)(C)O3)[C@H]1C2 2282506949 ZSKFIHQNKQHGNG-OFQRWUPVSA-N 499.464 2.260 30 10 JEEE Cc1nc(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)s1 2282524128 ANJKHYKLQLPKDO-QLFBSQMISA-N 479.408 2.115 30 10 JEEE CN1CCN(C(=O)OC(C)(C)C)[C@@H](CNC(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2282651865 GVXRCQNQTHOTBG-KRWDZBQOSA-N 459.396 2.267 30 10 JEEE C[C@@H]1CCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)nn2C)CCN1Cc1ccccc1 2282858256 UKCBUPGKANKFRZ-GOSISDBHSA-N 474.436 2.004 30 10 JEEE CC(C)(C)OC(=O)N=c1[nH][nH]cc1CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1O 2282973175 ZBHQBCPKUDSJJP-UHFFFAOYSA-N 458.324 2.113 30 10 JEEE CC(C)(C)OC(=O)NC1CCS(=O)(=NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CC1 2283066750 AMJZGFYPNLGRGP-UHFFFAOYSA-N 480.396 2.071 30 10 JEEE CC1(C)OB(c2nccnc2C(=O)N[C@@H]2CN(Cc3ccccc3)CC(F)(F)C2)OC1(C)C 2283071439 FGGXRJMBZKWOKA-KRWDZBQOSA-N 458.318 2.415 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1)[C@@H](O)C(F)(F)F 2284060783 RLSUYBKNJBRJJS-ZIAGYGMSSA-N 475.273 2.136 30 10 JEEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCC[C@H](NC(=O)C(F)(F)F)CC3)cc2)OC1(C)C 2286120044 IRJCEZXQZKDBEO-HNNXBMFYSA-N 476.326 2.208 30 10 JEEE CC(=NNc1nc2c(c(O)nc(=O)n2C)n1C[C@H](O)COc1cccc(C)c1)c1ccccc1 2327753952 SSNAIGVSWBSOST-SFHVURJKSA-N 462.510 2.420 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](NC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)CCO1 2337340719 JLWOLYDTNRHANU-UONOGXRCSA-N 467.397 2.244 30 10 JEEE CCc1nc(C(=O)NC[C@H](CNC(=O)OC(C)(C)C)OC)c(B2OC(C)(C)C(C)(C)O2)s1 2339944890 VIYXKNMEHFZYQB-CYBMUJFWSA-N 469.413 2.274 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2C[C@@H]3[C@H]2CCN3C(=O)OC(C)(C)C)n1 2359277674 LRPHSGGKRYQOTK-HLLBOEOZSA-N 460.384 2.095 30 10 JEEE Cc1c(C(=O)N[C@H]2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2366673760 DKQNIGCAAYZHRP-JYJNAYRXSA-N 460.384 2.155 30 10 JEEE CC(C)(C)OC(=O)N(CCO)CCC(=O)N1CCc2c(B3OC(C)(C)C(C)(C)O3)cccc21 2368520878 LLWCAUVATKCWDB-UHFFFAOYSA-N 460.380 2.494 30 10 JEEE CC(C)CCOc1ccc(C(=O)NC(=S)Nc2ccc(S(=O)(=O)N=C(N)N)cc2)cc1 14036911 CTGMMGHDIHDNQG-UHFFFAOYSA-N 463.585 2.200 30 10 JEEE Cc1ccccc1-n1c(=O)/c(=C/c2ccc(OC(F)F)cc2)s/c1=C(/C#N)C(=O)N1CCOCC1 33783741 APRDSBBXVZLYLT-ZJTSRVKDSA-N 497.523 2.171 30 10 JEEE CCn1c(=O)c(-c2noc(CCC(=O)Nc3ccccc3C#N)n2)nn(-c2ccc(C)cc2)c1=O 35402198 BBUXLKGVGRIFPP-UHFFFAOYSA-N 471.477 2.216 30 10 JEEE CC(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 208072692 OTYOOLOCXXRJOS-ZWKOTPCHSA-N 489.426 2.020 30 10 JEEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(OC(F)(F)F)cc2)c(=O)n1Cc1ccccc1 619539279 XPAQJTNXQYZCGG-UHFFFAOYSA-N 459.449 2.106 30 10 JEEE CCOCCCn1c(=C(C#N)C(=O)Nc2ccc(F)cc2)sc(=Cc2cnn3ccccc23)c1=O 729669812 BPYRAELOCJNSMN-UHFFFAOYSA-N 491.548 2.265 30 10 JEEE CCn1cc(-n2c(=C(C#N)C(=O)c3cccc(OC)c3)sc(=Cc3cnn4ccccc34)c2=O)cn1 729672391 LLGUEIXUJMJGOG-UHFFFAOYSA-N 496.552 2.158 30 10 JEEE C#CC1(O)CCN(C(=O)[C@@H](CC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)CC1 757470214 ULEZPZVJXICYFS-JOCHJYFZSA-N 462.502 2.355 30 10 JEEE COc1cc(CNC(=O)CSc2n[nH]c(NN=Cc3cc([N+](=O)[O-])ccc3O)n2)cc(OC)c1 1084252461 IEAPSIWXFSCNQO-UHFFFAOYSA-N 487.498 2.290 30 10 JEEE C#CC[C@H]1CCCN(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3cc(C)ccc3C)CC2)C1 1130100300 DAIQWAYCNXYWKW-NRFANRHFSA-N 459.612 2.178 30 10 JEEE C#CC[C@H](CCOC)NC(=O)NC[C@H](N1CCN(C(=O)OC(C)(C)C)CC1)C(F)(F)F 1227136773 NYZJQPXARZGFKT-CVEARBPZSA-N 450.502 2.198 30 10 JEEE C#CCN(c1nnc(CCCc2ccccc2)n1CCN1CCOC(C)(C)C1)[C@@H]1CCS(=O)(=O)C1 1286390694 FAPVSRHVELPUSA-HSZRJFAPSA-N 499.681 2.191 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H](C)CN1CCOCC1 1286413318 IPZAQWCKTUUHES-FCHUYYIVSA-N 484.645 2.434 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CC2CCOCC2)CC1 1286487529 GCGXJDNOKIUJBT-UHFFFAOYSA-N 497.596 2.363 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2CC2(C(=O)NCC)CCC2)CC1 1286494080 ZEVSZLSGEQJYEB-UHFFFAOYSA-N 496.587 2.268 30 10 JEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)C[C@H](c1cccs1)N1CCOCC1 1286504844 QLMNMMFFXXCKGJ-ZWKOTPCHSA-N 474.656 2.167 30 10 JEEE C#CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CCN1CCOCC1 1286513568 WWHYDQOKUUYNPJ-IBGZPJMESA-N 478.663 2.485 30 10 JEEE C=C(C)Cn1c(N2CCC([C@@H]3NC(=O)N(C)C3=O)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1286598491 MTXVWVINRSYKHU-KSZLIROESA-N 487.605 2.392 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1286609255 YVRVCFLZQIWJRA-ZWKOTPCHSA-N 483.635 2.219 30 10 JEEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1286706715 SJMLKVQLPPHZFD-UHFFFAOYSA-N 473.541 2.111 30 10 JEEE C=CCN(c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCS(=O)(=O)C1)C1CC1 1286738684 ZPMSCJKVWONHBI-SJLPKXTDSA-N 481.619 2.176 30 10 JEEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1 1286769134 RIXKPVUJKPNOTP-HUUCEWRRSA-N 456.613 2.204 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCCN(c2nccs2)CC1 1286792869 KNDVRLCYGCEBTG-UHFFFAOYSA-N 483.598 2.341 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC(n3cc(Cl)cn3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1286792931 MEMZWFXCIJFQQH-QFIPXVFZSA-N 477.997 2.312 30 10 JEEE CC(=O)N1CCCN(c2nnc(-c3ccccc3Cl)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1286864509 GUIICWDKWHLZJF-XDOYNYLZSA-N 483.960 2.184 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC[C@@H](C(F)F)N1CCOCC1 1300284643 UFWNKVKOOMCCQW-LPHOPBHVSA-N 481.569 2.163 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(NC(=O)C2CCC2)c1 1300308785 QDLPMWKISPAQJH-LPHOPBHVSA-N 455.584 2.425 30 10 JEEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccccc1OC)N1CCCC1 1300457769 AIVSQLPJEPMFSE-AZUAARDMSA-N 457.600 2.095 30 10 JEEE C#CCN(c1nnc(COc2ccccc2OC)n1Cc1ccc(F)cn1)[C@H]1CCS(=O)(=O)C1 1300503242 BVBCCXSTNMGYFP-IBGZPJMESA-N 485.541 2.075 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H](C(CC)CC)N(C)C)[C@H]1CCS(=O)(=O)C1 1300504258 KXBAMPBYWQYRLI-XUVXKRRUSA-N 451.637 2.123 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(=O)NCC(F)(F)F 1300535027 HMFKJMDTSBABKM-MRXNPFEDSA-N 482.507 2.144 30 10 JEEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCN1C[C@H](C)O[C@H](C)C1 1300625075 BXVKWLACTQUZFV-OYRHEFFESA-N 466.634 2.411 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCCN(C(=O)C2CC2)CC1 1300870534 UBTUSEZOIIWFPV-TYPHKJRUSA-N 461.607 2.432 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC(C)(C)C1 1300884354 JUSVJHWTGBBZPV-FHWLQOOXSA-N 467.636 2.219 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Oc1ccccc1)C1CC1 1301327868 ZIANDMNMXLFXHF-XLIONFOSSA-N 461.588 2.233 30 10 JEEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C2CC2)C1 1301459355 ZEHPFYWPJBLYOP-IXDOHACOSA-N 451.593 2.106 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(C)cc3)n2CC2(C(N)=O)CCOCC2)C1 1301566053 MBWXCTPVDFYSCB-HXUWFJFHSA-N 455.559 2.229 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC(C(=O)NC2CCCCC2)CC1 1301589173 ONVMFXCKTLIMJU-LJQANCHMSA-N 479.647 2.048 30 10 JEEE C#CCNC(=O)C1CCN(C(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccccc2OC)CC1 1311615077 ZMKZAAQWAKMBGR-IBGZPJMESA-N 458.559 2.432 30 10 JEEE CCn1cnnc1Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@](F)(C#N)C1 1313857043 FCJIMEYRCVYTDQ-AOMKIAJQSA-N 473.557 2.494 30 10 JEEE CO[C@@]1(C)CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2(C(N)=O)CCOCC2)CC1 1315242118 GJHYIJNJGAQVHA-QHCPKHFHSA-N 452.559 2.494 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2Cc2cnn(CCOC)c2)c1 1358902681 WJNIJDXLDBHYAW-NRFANRHFSA-N 477.569 2.120 30 10 JEEE C#CCCCn1c(Cc2ccccc2OC)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1358931628 HUQAJMSOULCVQK-HXUWFJFHSA-N 457.600 2.295 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC1(O)CCCC1)[C@@H]1CCS(=O)(=O)C1 1358956313 DIBAQIJTMMFAEV-PKOBYXMFSA-N 476.574 2.489 30 10 JEEE C#CCN(c1nnc(C2CCCC2)n1CC(C)(C)N1CCC(OC)CC1)[C@H]1CCS(=O)(=O)C1 1358962920 ZBYHSTMYWCHACA-FQEVSTJZSA-N 477.675 2.452 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)NC1CCCCC1 1358994490 OORJWZDCHQGTIR-OAQYLSRUSA-N 498.628 2.498 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2Cc2cnccc2OC)CC1 1359042357 CFKMIKRXAWWYQU-UHFFFAOYSA-N 490.564 2.380 30 10 JEEE C#CCSCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1359060716 GCIQVOHIXMBUML-UHFFFAOYSA-N 477.656 2.312 30 10 JEEE C=C(Br)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(OCC(N)=O)CC1 1359079378 IJFXHJOXAVGKRH-UHFFFAOYSA-N 455.744 2.373 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](c2ccnn2C)C1 1359084436 HLRUFQQDFCWRFF-LSDHHAIUSA-N 469.409 2.206 30 10 JEEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2cc(OC)c(C)cc2C1 1359151694 YSCYFACWJNEBCN-LJQANCHMSA-N 482.006 2.243 30 10 JEEE C=CCCOCCn1c(COc2ccc(C)cc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1359229574 MXCFSKOHVABUMN-UHFFFAOYSA-N 496.612 2.029 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1359296687 QQMIGEDJSOFOCU-UHFFFAOYSA-N 486.573 2.322 30 10 JEEE N#Cc1ccc(N2C[C@H](C(=O)NC[C@H](O)COc3ccccc3Br)CC2=O)cc1 1445527406 CNXRARJAUPNVTN-WBVHZDCISA-N 458.312 2.230 30 10 JEEE C#CCn1ccc(CN(CCOC)CC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)n1 1460045869 ARKIYWSQONMRJM-UHFFFAOYSA-N 456.502 2.379 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc(N3N=C(C4CC4)CC3=O)nc2)s1 1470332082 RDOZYUSQQYLLDH-UHFFFAOYSA-N 459.553 2.291 30 10 JEEE COCCC(C)(C)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1504744716 BVTSURLQXMPIBN-SFHVURJKSA-N 456.595 2.085 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCOC2)n1CCN1CCN(C)C(C)(C)C1 1504873392 GNBCAVRYNJIYLK-QHCPKHFHSA-N 481.645 2.333 30 10 JEEE C#CCCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCS(=O)CC1 1507561080 RFVRJXGJLOJBOM-UHFFFAOYSA-N 452.584 2.437 30 10 JEEE C#CCN(c1nnc(-c2ccc3ccccc3n2)n1CCCNC(=O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1507630267 VWBNAARUYAAXQG-HXUWFJFHSA-N 494.621 2.282 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1ccc([C@@H](C)O)cc1)[C@H]1CCS(=O)(=O)C1 1507631398 OZSQLGYWFUCIPV-NQIIRXRSSA-N 465.579 2.377 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@H]1C[C@H](C)O[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1507633668 GAEKQNVSVQSJOY-RCLSDMTESA-N 457.600 2.094 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CCN(C)Cc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1507634675 LGVXBQWXWACVMG-HSZRJFAPSA-N 496.612 2.162 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CCN(C)Cc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1507634677 LGVXBQWXWACVMG-QHCPKHFHSA-N 496.612 2.162 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC1(C(=O)NCC)CCC1 1507652352 HWEZJZVWCGXRPS-UHFFFAOYSA-N 485.592 2.444 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCC(C)(F)F)CC1 1507738029 IDWVNSFWQGNWGE-UHFFFAOYSA-N 483.523 2.203 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2CC2(N(C)C)CCOCC2)CC1 1507740259 KKFNVTMYMJQQSN-UHFFFAOYSA-N 494.640 2.242 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2NC(=O)CC2(C)C)C1 1508119386 WCXUPAQATUDQAG-IEBWSBKVSA-N 473.599 2.045 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC([C@H](O)c2ccc(F)cc2)CC1 1508142848 VMDVRXLCPFKMDV-TZIWHRDSSA-N 478.590 2.472 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CC[C@](O)(c2ccc(F)cc2)C1 1508143880 KWCMBGLZVUAKAZ-HSZRJFAPSA-N 471.558 2.102 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 1508145446 MGYFULLVNZBGQL-OAQYLSRUSA-N 475.659 2.323 30 10 JEEE C[C@@](O)(Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@](F)(C#N)C1)c1ccc(F)cc1 1510231482 BOBSWZKDRZCTCY-FGZHOGPDSA-N 453.453 2.414 30 10 JEEE CCCN(C)C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCCS2(=O)=O)C1 1514617374 AKCOXMNDYUMUKV-FQEVSTJZSA-N 471.631 2.020 30 10 JEEE C#CCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCN2C(=O)NC[C@@H]2C1 1539102084 SLTPZYRNPMOPSS-CQSZACIVSA-N 459.348 2.343 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CC=CCO1)[C@H]1CCS(=O)(=O)C1 1539206648 TXFSVHYDVKHYIS-HOTGVXAUSA-N 480.388 2.008 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1CCNC(=O)c1cccs1)[C@H]1CCS(=O)(=O)C1 1539224140 CPARTYGHGYZKGM-KRWDZBQOSA-N 489.648 2.049 30 10 JEEE C#CCN(c1nnc(COCC)n1C[C@H](c1ccco1)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1539230001 AYVOFXINZPHIDM-WOJBJXKFSA-N 475.615 2.262 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCCOC2)n1CCN1CCCS1(=O)=O 1540127548 GLHARFUXXVXSRI-OAQYLSRUSA-N 470.599 2.272 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCN1CCCS1(=O)=O 1540177023 KRGMRPPCNCRIDV-HDICACEKSA-N 480.635 2.263 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1540872165 FOXRDIWZWJFNHU-OAHLLOKOSA-N 454.472 2.383 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCCN(c2nc(C)ns2)CC1 1540900193 NJIUEZNSRMIFQT-UHFFFAOYSA-N 473.628 2.423 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@](C)(C(=O)NC)C1 1540907477 YDEHBOGWSRCNBL-QHCPKHFHSA-N 475.615 2.037 30 10 JEEE CC(C)C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1)N(C)C 1541413282 FXGJDGDULHRFOM-OAQYLSRUSA-N 453.591 2.088 30 10 JEEE CCCN(CC)CCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1547115669 BTGYQNDRPRZBIH-UHFFFAOYSA-N 470.597 2.486 30 10 JEEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CC(O)(c3ccc(Br)cc3)C2)c1 1561785925 UQFUSECUGOWKFH-UHFFFAOYSA-N 451.342 2.257 30 10 JEEE C#CCN(c1nnc(-c2csc(N3CCOCC3)n2)n1CCCCC)[C@H]1CCS(=O)(=O)C1 1588049368 FOVOUOXBQLFYFY-KRWDZBQOSA-N 478.644 2.055 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccccn2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1588211031 SYTWKTFBOLUQDD-UHFFFAOYSA-N 454.582 2.388 30 10 JEEE C=C(Br)Cn1c(N2CCC(S(C)(=O)=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1589461015 XGUNIWNLLRIKAW-SFHVURJKSA-N 477.425 2.241 30 10 JEEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1593696439 QIUZRZAJFLBJTR-UHFFFAOYSA-N 473.541 2.111 30 10 JEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](CN2CCCCC2)C1 1594626011 KENUSTYYRNSIFQ-SFTDATJTSA-N 480.679 2.280 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1c1ccccc1 1595797831 JCXVRQOBGCKIJL-RBUKOAKNSA-N 464.613 2.123 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 1595831497 RAMVJPMDUYDTHS-RTBURBONSA-N 492.577 2.270 30 10 JEEE COc1cc(OC)c2c(c1Cl)O[C@]1(C(=O)/C(=C\NCCSCCO)C(=O)C[C@H]1C)C2=O 1615248275 HJSRQBIRCXEAAF-RZYQNKIHSA-N 469.943 2.048 30 10 JEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC1CCC(NC(=O)OC(C)(C)C)CC1 1618158699 GZJNGNQMJPEOSK-ODIFPOPNSA-N 450.561 2.177 30 10 JEEE CCN(C(=O)CNS(=O)(=O)c1ccc(C#N)cc1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1637870203 HOXPUPIUZZZJHB-QGZVFWFLSA-N 450.561 2.085 30 10 JEEE C#CCN1CCN(C(=O)CN[C@@H](C(=O)OCC)c2ccc(Br)c(Cl)c2)CC1 1654876101 XKDFINXKHIZNQG-GOSISDBHSA-N 456.768 2.074 30 10 JEEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] 1670201216 YAEFZCFEXODTQJ-UHFFFAOYSA-N 451.270 2.462 30 10 JEEE N#Cc1ccc(CN2CC[C@@H](NC(=O)N3CCCC[C@@H]3COC(=O)N3CCCC3)C2=O)cc1 1682021386 FXDBGPHUHLZVPL-NHCUHLMSSA-N 453.543 2.456 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OCC)CCOC3)n2C[C@H]2CC(F)(F)CO2)c1 1689868340 DDPTZLLXIWJTIF-AUSIDOKSSA-N 489.523 2.411 30 10 JEEE C#CCN(c1nnc(COc2ccccc2CC)n1CCn1cc(C)cn1)[C@H]1CCS(=O)(=O)C1 1689996799 OONQMTRKAXXEIO-NRFANRHFSA-N 482.610 2.251 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCn1cc(Br)cn1 1690063421 CAIYJMIJBCHJPP-UHFFFAOYSA-N 477.388 2.467 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@](C)(O)c2ccccc2Cl)CC1 1690113895 XLBXCEBUIPLAAM-DNQXCXABSA-N 474.005 2.247 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCOCCC(C)C 1690206218 JYYNDAWYGZUAIJ-DENIHFKCSA-N 467.636 2.056 30 10 JEEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CCOC)Cc1ccco1 1690228764 FJOFCKKXBJOMED-AWEZNQCLSA-N 459.366 2.335 30 10 JEEE C=CCCOCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@H](C(=O)NC)C1 1690500009 IXVYQTMDGRYVHT-SFHVURJKSA-N 489.646 2.102 30 10 JEEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1690508548 KWIOPABAAFHLDK-ROUUACIJSA-N 451.568 2.105 30 10 JEEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCN(CC(=O)Nc2cccc(C)c2C)CC1 1690670082 YLEKEELPTFPPDY-UHFFFAOYSA-N 465.602 2.225 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC(C(=O)NCc2ccc(F)cc2)CC1 1690670839 KABOZTISTIOIDF-NRFANRHFSA-N 484.576 2.494 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(CC(=O)Nc2c(C)cccc2C)CC1 1690670885 LKKBVEQWJIRQTN-OAQYLSRUSA-N 495.628 2.199 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Br)nnc1N(C)C[C@H](C)C(=O)NC 1690720187 AGVBTAOVZKMFSO-AWEZNQCLSA-N 484.420 2.127 30 10 JEEE C=CCSCCn1c(N2CCN(C(=O)NCC)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1690752488 JVVZVCRARWTJLN-OAQYLSRUSA-N 452.625 2.089 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)c1cccc(F)c1 1692660496 AQRPXHCYMONHNR-QFBILLFUSA-N 478.594 2.466 30 10 JEEE CC[C@@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1Cc1ccc(C)n(C)c1=O 1694115256 CMXBUCQOUXJBIZ-MRXNPFEDSA-N 463.590 2.087 30 10 JEEE CCN(C)C(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1695498962 BWEGSVUNILTWSN-UHFFFAOYSA-N 498.389 2.107 30 10 JEEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC[C@H](F)C1 1696689057 DMIUXNMFCDULJA-AABGKKOBSA-N 476.578 2.257 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1CCOC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1705561490 QNDYJTRREQFVPG-MRXNPFEDSA-N 498.447 2.488 30 10 JEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1705652980 VBLNRZRHVJEWLB-UHFFFAOYSA-N 467.574 2.218 30 10 JEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccnc2OCC(F)F)CC1 1705763099 OJXBJEVHRGMCCX-AWEZNQCLSA-N 456.519 2.132 30 10 JEEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1705786358 MCTFWSIXMJEUOC-OALUTQOASA-N 479.651 2.209 30 10 JEEE C=CCCOCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](C(=O)OC)C1 1705830606 TULMUIPRLNTCPZ-QZTJIDSGSA-N 479.578 2.179 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC(NC(=O)c2ccsc2)CC1 1705905759 GCUDAMHYTDEFGD-UHFFFAOYSA-N 465.583 2.026 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC[C@H](CN3CCCC[C@H]3C)C2)nnc1[C@@]1(OCC)CCOC1 1705909154 PBFXTTLGAGVWOZ-DNRQZRRGSA-N 474.650 2.323 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[C@@H](CNC(C)=O)C2)cc1 1705911298 DRNLTMHYXYXSSS-FPOVZHCZSA-N 452.559 2.195 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CC=C(c2ccc(O)cc2)CC1 1705932131 MMKJFACMHZRGQA-UHFFFAOYSA-N 454.556 2.279 30 10 JEEE Cc1ccc(C)c(OCc2nnc(N(C)[C@@H](C)CC#N)n2CC2(O)CCS(=O)(=O)CC2)c1 1707326100 FTQCGKWONHXHAY-SFHVURJKSA-N 461.588 2.152 30 10 JEEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1722307038 QGWKZWMSKYYEEX-UHFFFAOYSA-N 472.553 2.154 30 10 JEEE C#CCCCn1c(-c2ccccc2OC)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1722329474 AORJKKDSOZLZQV-UGKGYDQZSA-N 450.587 2.356 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H](c1ccco1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1722359011 HWTBGVQOXCWCIW-NHCUHLMSSA-N 478.578 2.339 30 10 JEEE C#CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1[C@@H]1C[C@H]1CF)[C@H]1CCS(=O)(=O)C1 1722369794 HGQPVEXQVANTHJ-IECFSIQFSA-N 481.594 2.206 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CCN(C)C1CCCC1)[C@H]1CCS(=O)(=O)C1 1722370293 NBKCXUYHYBDQSK-NRFANRHFSA-N 489.617 2.497 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@H](C)c1nc(C)cs1)[C@H]1CCS(=O)(=O)C1 1722370394 BTRRDEQMNOQFLW-BEFAXECRSA-N 487.655 2.335 30 10 JEEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1C[C@@H]1NC(=O)CC1(C)C)[C@@H]1CCS(=O)(=O)C1 1722372266 SQMJAESLIJGXOE-CTNGQTDRSA-N 499.637 2.015 30 10 JEEE C#CCN1CCN(c2nnc(C3CCCC3)n2CC[C@@H](N2CCOCC2)C(F)(F)F)CC1 1722436637 JNRMYAVLSAUGHC-LJQANCHMSA-N 454.541 2.344 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3nn(C(C)C)c(=O)c4ccccc34)n2CCCOC)CC1 1722446139 OSDVFFBFVRUYKC-UHFFFAOYSA-N 491.596 2.238 30 10 JEEE C#CCSCCn1c(-c2ccccc2C)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1722456952 KKCCDRSCKVFBLL-OAQYLSRUSA-N 452.628 2.363 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1722519311 BKTRKWMIIZYXRH-MRXNPFEDSA-N 471.587 2.499 30 10 JEEE C=C(Cl)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1722545545 IEDFXHMDCLTUSB-IIBYNOLFSA-N 482.006 2.332 30 10 JEEE C=CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1722685655 IMONQAPJFLLGHQ-IBGZPJMESA-N 489.621 2.153 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCC(c2nc(C)no2)CC1 1722727358 KYLMTHWAFFFGTO-UHFFFAOYSA-N 457.560 2.325 30 10 JEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1722738272 DZVUQDBKDNGAPJ-MRXNPFEDSA-N 471.649 2.157 30 10 JEEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCS(C)(=O)=O)C[C@H](C(F)(F)F)O1 1726670560 FVTLWVOTHAITQN-XJKSGUPXSA-N 457.478 2.407 30 10 JEEE CC[C@@H](C)NC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cc(C)on2)CC1 1727109027 DOWDUTONKKVQGK-GOSISDBHSA-N 492.584 2.110 30 10 JEEE CCS(=O)(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(S(C)(=O)=O)CCC2)CC1 1729181228 GAWMOXYMNNADOP-UHFFFAOYSA-N 491.639 2.188 30 10 JEEE C#C[C@H](C)N(C)c1nnc(CSc2ccccc2OC)n1CCN1CCN(C(C)=O)CC1 1740559909 XHTOSNJTLPGIGX-SFHVURJKSA-N 456.616 2.201 30 10 JEEE C#CCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1740584797 KICBSAXUMPJHPD-GOSISDBHSA-N 454.550 2.371 30 10 JEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2OCC)CC1 1740589720 ARFSZIYULVGWFV-IBGZPJMESA-N 457.600 2.319 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCCOC[C@H]2CCCO2)CC1 1740706648 YXGQJRGMLGKHQN-RTWAWAEBSA-N 459.591 2.071 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@](C)(C(=O)NC)C1 1740762273 CQEZUKCNCKYIDM-ICPLQIHGSA-N 472.615 2.213 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1740774416 SJVGUCOUTOCASK-FCGDIQPGSA-N 455.625 2.217 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1740954998 UXGRWOCLTPMISX-KRWDZBQOSA-N 469.546 2.144 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC(NC(=O)Nc2ccc(F)cc2)CC1 1740965618 KCIBMSMDGREUDV-LJQANCHMSA-N 471.537 2.361 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1CCc1ccn(C)n1 1741660077 HVAPQNHHONWQQS-UHFFFAOYSA-N 462.558 2.312 30 10 JEEE CN(Cc1ccon1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCS(=O)(=O)C1 1747810319 FPLIHTCEUGTMNU-KRWDZBQOSA-N 456.528 2.178 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CN(CC(C)C)CCO1 1748652071 WNPPIKNVHVXRLE-PZJWPPBQSA-N 488.658 2.010 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)c(OC(F)F)c1 1748671970 ORICIDUXRJKKQM-ZFWWWQNUSA-N 454.499 2.296 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1cc(OC)c(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1748801801 GYQNROQLDMJXDG-KRWDZBQOSA-N 476.599 2.276 30 10 JEEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H](C(C)C)N1CCOCC1 1748868030 QBCGRRUKNCGLBZ-RDGATRHJSA-N 457.619 2.138 30 10 JEEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1C[C@H](c1cccc(C)c1)N1CCOCC1 1748907196 PSGDSROLJLCZJQ-JOCHJYFZSA-N 450.587 2.356 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC(C)(C)CN2CCCC2)CC1 1748978899 SOKWJXQVTGMQOG-RUZDIDTESA-N 458.651 2.196 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2CCNC(=O)C(C)(C)C)CC1 1749010890 RSSCDEBFUANRAZ-UHFFFAOYSA-N 454.550 2.212 30 10 JEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc2cnccc2c1 1749023467 SJVIQQZZRHRFQT-MRXNPFEDSA-N 458.613 2.439 30 10 JEEE C#CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1749040086 MBRGGCXZAGMJCJ-HSZRJFAPSA-N 470.574 2.189 30 10 JEEE C=C(Cl)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1749256257 YQSZWPOQEMKUEK-UHFFFAOYSA-N 459.938 2.350 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ccc(OC)c(F)c2)CC1 1749342764 NUKCPHGPLVOYQA-NRFANRHFSA-N 493.605 2.404 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C 1749489139 RMZYXTZKCQABJG-GVDBMIGSSA-N 453.609 2.448 30 10 JEEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 1749754552 ORAROSOCXZUHKH-LJQANCHMSA-N 490.655 2.049 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2CCNC(=O)C(C)(C)C)c1 1760128893 VUPJKEXBVFGYQX-GOSISDBHSA-N 452.559 2.001 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(Cl)s1 1760154566 GIGBJIZTMYNJMI-OAHLLOKOSA-N 458.009 2.376 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@](C)(O)c1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 1760183998 FXKMARILZWSCOV-HXOBKFHXSA-N 488.013 2.471 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CCc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1760188711 CEJZMRKQXWJXQG-NRFANRHFSA-N 453.543 2.272 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCCOC2)n1CCCn1cc(CO)nn1 1760242153 VDARSUUFPIHOCA-LJQANCHMSA-N 453.522 2.125 30 10 JEEE C#CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1CCC(=O)N1CCCCCC1 1760251335 XRCRMOAQKQKEIO-UHFFFAOYSA-N 463.586 2.395 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCc2csc(C)n2)CC1 1760261940 XHUCHUJTXWQPMQ-UHFFFAOYSA-N 455.613 2.032 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)CCCS(C)(=O)=O 1760517441 MJSQSFNODZWIRA-UHFFFAOYSA-N 465.645 2.449 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1760519953 VSJLRJVYPWKVFA-SFHVURJKSA-N 482.585 2.007 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC([C@H](O)c3ccc(F)cc3)CC2)nnc1[C@]1(OCC)CCOC1 1760528791 MLYOKGQIEYFMFN-RDGATRHJSA-N 487.576 2.322 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(-c3n[nH]c(C)n3)cc2)C1 1760534407 XSSAFBLREDMEOE-LJQANCHMSA-N 450.547 2.339 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](Oc2ccccn2)C1 1760553393 TUAMCVGYOPOMJW-FQEVSTJZSA-N 464.551 2.470 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N(C)CC(=O)Nc1ccc(C)cc1 1760555408 FIZHAUBLNJNLFM-GOSISDBHSA-N 461.588 2.156 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CCN(CC(F)(F)F)CC1 1760557767 VZBHZUATTQHEFL-UHFFFAOYSA-N 471.549 2.348 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)nnc1[C@]1(OCC)CCOC1 1760557961 BSOGOGHCMCMUEE-DPLHUUCSSA-N 485.610 2.275 30 10 JEEE Cc1cccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCCN2C[C@H](C)O[C@H](C)C2)c1 1762024015 CVCUSCCUHHTDLR-VWPQPMDRSA-N 454.575 2.394 30 10 JEEE CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(F)cn2)CC1 1762054587 HVPGVEJVDJFJSY-SFHVURJKSA-N 476.560 2.436 30 10 JEEE CC[C@@H](C)NC(=O)CCn1c(N2CCN(c3nccnc3C#N)C[C@@H]2C)nnc1C(C)(C)C 1762056413 GENJHOHWWXRATE-SJORKVTESA-N 453.595 2.257 30 10 JEEE CCN1CCN(CCCn2c(CNC(=O)c3cccs3)nnc2N2CCC(C#N)CC2)CC1 1765576075 AHAVMFWPLMHLIB-UHFFFAOYSA-N 470.647 2.037 30 10 JEEE CN(CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(OCC(N)=O)CC1)C(=O)OC(C)(C)C 1767351685 HHYRJWOBUOCKLM-UHFFFAOYSA-N 483.573 2.154 30 10 JEEE COc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@](C)(C#N)C2)c(OC)c1OC 1770199549 GGGQJWIONFDAMA-NYHFZMIOSA-N 492.602 2.092 30 10 JEEE CCOc1cc(C)c(S(=O)(=O)N2CC[C@@H](NS(=O)(=O)c3ccccc3C#N)C2)cc1C 1858326559 HQTJYLDWXIXSTA-GOSISDBHSA-N 463.581 2.315 30 10 JEEE N#Cc1ccc(NC(=O)[C@@H]2CCN(C(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)C2)cc1 1858375877 GJPWNFPUEIFERF-LJQANCHMSA-N 452.536 2.444 30 10 JEEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCNC(C)=O)[C@@H]2c2ccc(OC)c(OC)c2)c1 1862706877 HVOFBGSOYYDLJJ-OAQYLSRUSA-N 454.479 2.427 30 10 JEEE COc1ccc(C(=O)N[C@@H](CCSC)C(=O)Nc2ccc(C#N)cc2)cc1S(C)(=O)=O 1866893506 YDHDKWLEBPYOBS-KRWDZBQOSA-N 461.565 2.461 30 10 JEEE C=CCOc1cn(CCNC(C)=O)c(CN2CCN(C/C=C/c3ccccc3)CC2)cc1=O 1870387117 QRRBZQXFGQMRCV-JXMROGBWSA-N 450.583 2.380 30 10 JEEE C=CCNC(=O)C1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(I)cc3)C2)CC1 1872942703 DLZPMNHEWKHVEB-HNNXBMFYSA-N 481.334 2.185 30 10 JEEE CC(C)N1C(=O)CS[C@H](C(=O)N2CCO[C@H](C(=O)N3CCCCC3)C2)[C@H]1c1ccc(C#N)cc1 1890790522 RVOUJJVCLFJQHF-WWNPGLIZSA-N 484.622 2.192 30 10 JEEE N#Cc1nccnc1OCC1CCN(C(=O)[C@@H]2SCC(=O)N(C3CC3)[C@H]2c2cccnc2)CC1 1891455333 PLTZHYGKGOADBD-FCHUYYIVSA-N 478.578 2.208 30 10 JEEE Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C=CC(=O)OCC(=O)Nc1cccc(C#N)c1 2040425661 AXYUHKDOZJRDTC-INIZCTEOSA-N 462.915 2.271 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1CO 2060127884 NQIOJQFTJKLDQY-BBWFWOEESA-N 454.568 2.308 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NCC[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)C1 2255184596 ICNRILNNSFCNKQ-WCCYLALTSA-N 451.564 2.435 30 10 JEEE Cc1nc(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)c(B2OC(C)(C)C(C)(C)O2)s1 2267247032 WIUGCNLDHGUECY-CQSZACIVSA-N 467.397 2.116 30 10 JEEE CC(C)(C)OC(=O)N1CC(O)(CC(=O)Nc2nc(B3OC(C)(C)C(C)(C)O3)ccc2Cl)C1 2268639256 ZXTDVWFUCFAVPK-UHFFFAOYSA-N 467.759 2.345 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@@](F)(CNC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2282024513 CBZISDMIDITTQJ-JOCHJYFZSA-N 464.347 2.245 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C1CC1 2282050709 CSMLXRDAMHKMDN-IRXDYDNUSA-N 460.384 2.237 30 10 JEEE CC(C)(C)OC(=O)NCCn1cc(NC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)cn1 2282184599 VPLBYKVDCSRFDE-UHFFFAOYSA-N 457.340 2.354 30 10 JEEE CN(C[C@@H]1CN(C(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)CCO1)C(=O)OC(C)(C)C 2282191535 XKQJAGBIGIKYHZ-MRXNPFEDSA-N 461.368 2.089 30 10 JEEE C[C@@H]1C[C@H](NC(=O)C(F)(F)F)CCN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2282343082 BVMKLLPPZMJWSD-UKRRQHHQSA-N 476.326 2.206 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)c(F)c2)[C@@H](O)C1 2282480032 AJNFVBNRGUXMMA-MSOLQXFVSA-N 464.343 2.225 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C1 2282512704 VERKGNNJLPWDFX-MRXNPFEDSA-N 482.408 2.282 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@]23CC[C@@H]2CN(Cc2ccccc2)C3)n1 2282536346 BCVVGCGARHVCLT-CLOONOSVSA-N 450.392 2.361 30 10 JEEE C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1N(C)C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282552359 POKFVBUQQDLWIW-RDJZCZTQSA-N 462.400 2.437 30 10 JEEE Cn1cc(C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)CC23CC3)c(B2OC(C)(C)C(C)(C)O2)n1 2282590133 XOIKKOBVVDOBNU-HNNXBMFYSA-N 460.384 2.381 30 10 JEEE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1N(C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2282621465 RZCJRPXYJKFCLR-RDJZCZTQSA-N 462.400 2.437 30 10 JEEE C[C@H]1CCCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)[C@@H]1CNC(=O)OC(C)(C)C 2282626432 BOSXVVJDHRDNFY-DOTOQJQBSA-N 462.400 2.485 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H]2OCCN(C(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)o3)[C@H]2C1 2282632618 NCAMYUAKSPTACW-HOTGVXAUSA-N 462.352 2.429 30 10 JEEE CC1(C)OB(c2ccc(O)c(C(=O)NC[C@@H]3CN(Cc4ccccc4)CCO3)c2)OC1(C)C 2282981489 YASZHNCBZCAJKF-HXUWFJFHSA-N 452.360 2.322 30 10 JEEE CC(C)(C)OC(=O)NCc1ncc(C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)cn1 2283951652 YCYYHZHEVIKYKJ-UHFFFAOYSA-N 475.380 2.187 30 10 JEEE CC(C)(C)OC(=O)N[C@H](Cc1ncns1)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2284038408 IFOTUZNZDHGKCL-CQSZACIVSA-N 475.380 2.307 30 10 JEEE C[C@H](C#CC(=O)NC[C@@]1(O)C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C 2318687468 HIRSTIBQLARUFD-QPHKYOTMSA-N 451.564 2.312 30 10 JEEE CCCNC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1N=Cc1cccc(OC)c1O 2329012411 PJVQSCKXOKDNQH-MRXNPFEDSA-N 474.587 2.217 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)Nc1cc(F)c(F)cc1B1OC(C)(C)C(C)(C)O1 2351772136 WJVQXDQBKDBCGP-ZBEGNZNMSA-N 456.295 2.477 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H]3CC[C@H]2[C@@H]3NC(=O)OC(C)(C)C)n1C 2362488140 SJHRCEPKOLLCMP-OWCLPIDISA-N 460.384 2.155 30 10 JEEE COc1cccc(CN/C(=N\C(=S)NCCCN2CCOCC2)Nc2nc(C)cc(C)n2)c1 14156146 PWTVMICZRSRGRN-UHFFFAOYSA-N 471.631 2.257 30 10 JEEE COc1ccc(/C=N/Nc2nnc(SCC(=O)Nc3cc(OC)cc(OC)c3)n2N)cc1 20292977 PVOTUMYWFYIHCF-SSDVNMTOSA-N 457.516 2.195 30 10 JEEE CCCCn1c(N2CCOCC2)c(/C=C2/SC(=S)N(CCC(=O)O)C2=O)c(C)c(C#N)c1=O 39770475 CEUKONKYNJADRN-SFQUDFHCSA-N 490.607 2.341 30 10 JEEE CCCCCCCCCCOC(=O)C[C@@H]1C(=O)NCCN1C(=S)NC(=O)/C=C/C(=O)OCC 100227151 MASZHXHKWAGJDY-QFQMRYFISA-N 483.631 2.381 30 10 JEEE C=CCOC[C@H](O)CN1CCO[C@H](CN(CCOC)C(=O)c2cccc(C(F)(F)F)c2)C1 230150291 KTZZLROBJVRCLU-UXHICEINSA-N 460.493 2.058 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)[C@@H](C)OC(=O)c3ccc(-n4cnnn4)cc3OC)cc21 586271502 LXHHWAPTNIXTKK-CQSZACIVSA-N 463.450 2.011 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)C[S@](=O)CC(=O)Nc3ccc(NC(C)=O)cc3)cc21 586291188 XWVQAKXEILTJDA-XIFFEERXSA-N 469.519 2.127 30 10 JEEE Cc1cccc(-n2c(=C(C#N)C(=O)N3CCCC3)sc(=Cc3cnn4ccccc34)c2=O)c1C 729668206 AVSMIQRWJABKGA-UHFFFAOYSA-N 469.570 2.289 30 10 JEEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[C@@H](Oc3ccnc(CN(C)CC)c3)C2)c1 856540807 UCFOHSXEAXMKIJ-OAQYLSRUSA-N 458.584 2.291 30 10 JEEE CC(C)(C)N1C[C@@H](C(=O)[C@@H](C#N)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)CC1=O 916948841 IDDKKQVQJRMGDN-QFBILLFUSA-N 474.583 2.156 30 10 JEEE CC(=O)c1ccc(S(=O)(=O)N(C)C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)cc1 916981280 DURMZPGYOZOBAA-UHFFFAOYSA-N 491.591 2.335 30 10 JEEE Cc1nn(CCO)c(C)c1C=NNc1nc(SCC(=O)Nc2ccc(F)cc2F)n[nH]1 1084641193 OLUZRUQNOHFJHA-UHFFFAOYSA-N 450.475 2.065 30 10 JEEE Cc1c(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cnn1CCO[C@@H]1CCCCO1 1139811033 BVWPUCRGVRYDCR-FGZHOGPDSA-N 451.527 2.137 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@H]1CCCCS1(=O)=O 1286287695 CGXRSUGZNUAVBY-ZWKOTPCHSA-N 482.610 2.490 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CC3)n2C[C@@H](C)CN2CCN(CC)CC2)c1 1286309278 JHGKIRJGBMHQQY-FQEVSTJZSA-N 463.630 2.485 30 10 JEEE C#CCN(C)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1C[C@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1286379168 IWUQCUCEJHDVSK-SLFFLAALSA-N 469.590 2.234 30 10 JEEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCCCOc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1286389704 PANTZWXARICXNV-CTNGQTDRSA-N 485.610 2.024 30 10 JEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 1286505312 XDNNBSRFYUBHNY-GOSISDBHSA-N 490.992 2.351 30 10 JEEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1286506904 PMMGSTPHBYZQRS-PZJWPPBQSA-N 474.675 2.455 30 10 JEEE C=C(Br)Cn1c(Cc2cn3ccccc3n2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1286543654 AORWSJMKVMPAFC-MRXNPFEDSA-N 479.404 2.439 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1286559739 YHFCGOKNEKYDOZ-REWPJTCUSA-N 498.603 2.162 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2ccc(Cl)s2)C1 1286592471 GVPQYKXLAVZVCZ-LSDHHAIUSA-N 488.035 2.480 30 10 JEEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(c2ccccc2)CC1 1286601452 VLLRKDAUBIEIHF-LJQANCHMSA-N 462.620 2.198 30 10 JEEE C=C(Cl)Cn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1286629662 GZKYZXFHHSDEDW-UHFFFAOYSA-N 456.978 2.201 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1286671936 CEKRKINCOPJLJH-FHWLQOOXSA-N 467.636 2.076 30 10 JEEE C[C@@]1(C#N)CCCN(c2nnc(COc3ccccc3F)n2CCNC(=O)c2cc[nH]n2)C1 1288981686 HGIBNZYIOHUQPX-QFIPXVFZSA-N 452.494 2.279 30 10 JEEE CC[C@@H](C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC(C)(C)N1CCOCC1 1291604484 DIKYARBDTGMQNK-LJQANCHMSA-N 452.607 2.496 30 10 JEEE C#CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1300393849 HLMBHGFZKICXJS-UHFFFAOYSA-N 493.568 2.433 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1cccc(CN(C)CC)c1)[C@H]1CCS(=O)(=O)C1 1300487155 GZOBXHGHALBZRS-NRFANRHFSA-N 466.611 2.400 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1CC1(CCOC)CC1)[C@H]1CCS(=O)(=O)C1 1300487180 HJGIISXFJGJYOH-SFHVURJKSA-N 458.584 2.397 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1CCCN1CCCCC1=O)[C@@H]1CCS(=O)(=O)C1 1300499841 YEZCHPZOICBAAZ-HXUWFJFHSA-N 487.601 2.037 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCC1(OC)CCC1)[C@H]1CCS(=O)(=O)C1 1300501295 IXDKWWQUECBYPZ-SFHVURJKSA-N 463.629 2.220 30 10 JEEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@@H](CC)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1300501762 NJBBGXIVBACKRJ-TZIWHRDSSA-N 469.611 2.221 30 10 JEEE C#CCN(CCOC)c1nnc(CC2CCCC2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1300674670 BYCLUJROWIWGNQ-LEWJYISDSA-N 463.648 2.301 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc4c(s3)CCCCC4)n2CCS(=O)(=O)NC(C)C)CC1 1300689391 VBXOSCXBGAFHJS-UHFFFAOYSA-N 490.699 2.359 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Cl)n2C[C@]2(C)COCCO2)CC1 1300718654 CWDIVJPJUSIDPH-HSZRJFAPSA-N 457.962 2.370 30 10 JEEE C=CCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1301145758 GGFVKWQRMIDPGW-WIYYLYMNSA-N 454.623 2.270 30 10 JEEE C=CC[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H]1CCS(=O)(=O)C1)c1ccccc1 1301165250 FOTGHXUZUFNOQT-AABGKKOBSA-N 478.640 2.163 30 10 JEEE 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 1301297421 PYHHDNNHXIDFHM-VSZNYVQBSA-N 465.620 2.305 30 10 JEEE COCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](c2nc(C)no2)C1 1301725338 DKFUQTIIPICABI-FQEVSTJZSA-N 450.547 2.470 30 10 JEEE CC(=O)NC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C(C)C)N2CCCC2)CCO1 1301902337 HHZDSBYROXVBBO-XZOQPEGZSA-N 465.602 2.278 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1Cc1ccoc1 1303858634 FBWZMDNMIOOULT-HNNXBMFYSA-N 489.989 2.381 30 10 JEEE CNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ncccc2F)CC1 1314933568 DOOVWRBIEJDJSV-UHFFFAOYSA-N 462.533 2.450 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2C[C@]2(OC)CCOC2)c1 1358902729 XJQXOGPZWNRMRD-NTKDMRAZSA-N 453.543 2.034 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@@H](C)N(C)C1CC1)[C@@H]1CCS(=O)(=O)C1 1358959033 AMZQITKYLRQANS-IEBWSBKVSA-N 457.600 2.063 30 10 JEEE C#CCN(c1nnc(CCCc2ccccc2)n1CC1CCN(C(C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1358966815 XJKDQLBZLOLROT-XMMPIXPASA-N 497.665 2.339 30 10 JEEE C#CCN(CC#CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@H]1CCOC[C@@H]1OC 1358996549 IVVLINDEJLOZBK-RSXGOPAZSA-N 490.652 2.157 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2Cc2cccc(C(=O)NC)c2)CC1 1359046497 UHGBYBAKZVCXTO-UHFFFAOYSA-N 476.606 2.304 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OC)n2Cc2cnccc2OC)CC1 1359047829 VDTJZAJHVYGART-UHFFFAOYSA-N 490.564 2.283 30 10 JEEE C=CCC(C)(C)Cn1c(N2CCC[C@@H](n3cnc(C(N)=O)n3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1359192253 AGHISRWYIHTMLJ-HOYKHHGWSA-N 486.621 2.453 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@H](n2cncn2)C1 1359304399 XEADJVPOJURROO-IBGZPJMESA-N 450.547 2.209 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(F)(F)c2ccccc2)C1 1359321964 NWKBSSUBTUMALF-MOPGFXCFSA-N 497.568 2.184 30 10 JEEE C=CCn1c(S)nc2cc(C(=O)N3CCC(CNC(=O)C(F)(F)F)CC3)ccc2c1=O 1448719726 OQTKPTRQBIKYSD-UHFFFAOYSA-N 454.474 2.402 30 10 JEEE C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)NCCN2CCN(c3ccc(F)cc3)CC2)cc1 1466172922 HVRAUNRCAQBLDT-QGZVFWFLSA-N 459.547 2.455 30 10 JEEE Cn1cnnc1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC(CC#N)CC1 1503671057 AMZMKKLROWXKSE-UHFFFAOYSA-N 453.938 2.168 30 10 JEEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CCC1CCC(OC)CC1)[C@H]1CCS(=O)(=O)C1 1507624893 FJJYDPQMHULBBI-GTJZEUBQSA-N 494.658 2.152 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CC1(O)CCCCC1)[C@H]1CCS(=O)(=O)C1 1507640361 QJGABGPPRVWOQO-IBGZPJMESA-N 476.574 2.318 30 10 JEEE C#CCN(c1nnc(CCOc2ccccc2)n1C[C@]1(O)CCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1507640798 WEOSTBOOZMNEDK-YOSAUDMPSA-N 472.611 2.077 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCSC2)n1 1507717190 QIOHYKXDOCBNJL-DEOSSOPVSA-N 477.594 2.167 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2CCS(=O)(=O)c2ccccc2)CC1 1507728413 SZPSGUUWWQSRGL-UHFFFAOYSA-N 455.609 2.160 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2Cc2nccn2C(F)F)CC1 1507733141 YCDRUGBAVAYUQK-UHFFFAOYSA-N 457.485 2.261 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Cl)n2CC[C@H]2COCCO2)CC1 1507735934 BDSIYTAILMQMLE-SFHVURJKSA-N 457.962 2.370 30 10 JEEE C=C(C)COCCn1c(-c2cccc(C)n2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1507843018 QFQRCGQMDKPGOQ-UHFFFAOYSA-N 454.575 2.316 30 10 JEEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(=O)c2ccccc2F)CC1 1507868219 FUODBSDFOULDIV-INIZCTEOSA-N 481.981 2.424 30 10 JEEE C=C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@H]2CCOC[C@@H]2OC)CC1 1507877201 CLWPLRICRIXYFN-CTNGQTDRSA-N 475.615 2.403 30 10 JEEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 1507954792 PMSWJRBSXPVGOZ-QGZVFWFLSA-N 460.560 2.381 30 10 JEEE C=CCn1c(-c2csc(N3CCOCC3)n2)nnc1N(CCO)Cc1ccccc1OC 1508057577 BNSUPUQUXAVLCX-UHFFFAOYSA-N 456.572 2.432 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](CC)NC(=O)OC(C)(C)C)C1 1508125123 NWWZRTBIPHXMIQ-KZNAEPCWSA-N 483.635 2.265 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1508134734 HKJZNANJEGVIRW-LJQANCHMSA-N 475.615 2.296 30 10 JEEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(Cl)nc2)CC1 1508258802 HDTSLZUHQGXJLX-UHFFFAOYSA-N 451.918 2.494 30 10 JEEE CCOC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CC(=O)N(CCOC)C2)C1 1516065361 FXQCYCYJBDPQQI-FPOVZHCZSA-N 495.584 2.027 30 10 JEEE CS[C@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1519744213 HVZLDTOPEVEKIS-XLIONFOSSA-N 490.655 2.199 30 10 JEEE C=CCOc1cc(OC)ccc1C(=O)Nc1ccc(NC(=O)CCN2C(=O)CNC2=O)cc1 1525421973 SHWVRLONZWEPPX-UHFFFAOYSA-N 452.467 2.393 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(COCC(F)(F)F)c1 1538971688 HTKPCMKSTYILIV-CABCVRRESA-N 473.521 2.473 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1Cc1cccc(CN(C)CC)c1)[C@@H]1CCS(=O)(=O)C1 1539224347 FPYWOSCNFBANHK-JOCHJYFZSA-N 455.628 2.357 30 10 JEEE C#CCN(CC)c1nnc(-c2cc(F)ccc2Br)n1CCOCCS(C)(=O)=O 1539350459 MHHFOENYGVXEKK-UHFFFAOYSA-N 473.368 2.367 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCS(=O)(=O)CC1 1539623360 MBQQXCBNOSVLBX-PXNSSMCTSA-N 462.572 2.178 30 10 JEEE C=CCN(CC=C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1CCCS(=O)(=O)C1 1540170531 OUQWJVWORGXMLJ-IBGZPJMESA-N 471.631 2.455 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1540866162 FASGJLNIHMFKIV-OAHLLOKOSA-N 482.507 2.337 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1540866285 IVHYEPBAVUKHFM-STQMWFEESA-N 457.959 2.298 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(C)C)C(=O)C1 1540880924 UDOBCBIZABFEQP-FQEVSTJZSA-N 487.626 2.098 30 10 JEEE Cc1ncsc1CN(C)c1nnc(-c2cccc(C#N)c2)n1CCC(=O)N1CCOCC1 1542078731 CNFPSIZOZOXGPY-UHFFFAOYSA-N 451.556 2.467 30 10 JEEE CNC(=O)[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CC12CCN(C(=O)COCCOC)CC2 1548377240 GNXOUSJNGUKAPR-IBGZPJMESA-N 482.503 2.031 30 10 JEEE CS(=O)(=O)N1CCC2(CC1)C[C@@H](C(=O)NC1CC1)N(c1ccc(C#N)c(C(F)(F)F)c1)C2 1548382017 SMJJXDVOYXQIQG-SFHVURJKSA-N 470.517 2.476 30 10 JEEE CN(C[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)CCCO2)C1)S(C)(=O)=O 1554228854 HVESPCNXVWLQTN-WMZHIEFXSA-N 472.615 2.494 30 10 JEEE CN(C[C@H]1CCCOC1)c1nnc(COc2ccc(C#N)cc2)n1CCCN1CCOCC1 1554235993 ASOXGESUVAVBBM-OAQYLSRUSA-N 454.575 2.314 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@@]1(C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CCO1 1556399374 LGLSTNSJQBWDLB-SAHWJRBASA-N 454.564 2.432 30 10 JEEE C=CCOCCNC(=O)N1CCCN(S(=O)(=O)c2ccc(Br)s2)CC1 1565129508 WWIHQZAVBZPYHD-UHFFFAOYSA-N 452.396 2.119 30 10 JEEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1sccc1S(=O)(=O)N1CCC(O)CC1 1568890870 YLWMADCYSSUHNL-UHFFFAOYSA-N 454.570 2.197 30 10 JEEE COc1cc(N2CCS(=O)(=O)CC2)ccc1NC(=O)c1cnc(C(F)(F)F)c(C#N)c1 1585472903 CCTRJCGQBBCINK-UHFFFAOYSA-N 454.430 2.468 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@@H]1CCC[C@@H](O)C1)[C@H]1CCS(=O)(=O)C1 1588039992 HFAVGVIHHZACLJ-YZGWKJHDSA-N 458.584 2.132 30 10 JEEE C#CCN(c1nnc(-c2ccccc2)n1CCNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1588045288 IWUXWPYUBAAIFX-SFHVURJKSA-N 459.572 2.097 30 10 JEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1CCCO[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1588059384 NARDVUGJTDLLIX-LEWJYISDSA-N 493.029 2.345 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC1CCS(=O)(=O)CC1 1588214525 VTCBIHKMVYTXNR-UHFFFAOYSA-N 462.579 2.419 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N(C)CC(C)(C)CN1CCOCC1 1589556629 CXXTVJXMKUPZPE-OFNKIYASSA-N 474.650 2.176 30 10 JEEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2cc(OC)c(OC)cc2CC1 1594807801 ZQIHRLMCPFPEJE-IBGZPJMESA-N 455.559 2.444 30 10 JEEE CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccccc1CN1CCCC1=O 1608399388 ASBLSYNHKANGBM-QHCPKHFHSA-N 453.522 2.029 30 10 JEEE CN(C)[C@]1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(CC(N)=O)CC2)CCSC1 1617651723 GFBDNPPWZIYKDU-QHCPKHFHSA-N 453.616 2.346 30 10 JEEE Cn1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)cn1 1618407957 HRCJFXDISYGNTL-FQEVSTJZSA-N 478.557 2.328 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(C)C 1635310822 QPXKBFRRMRGHBX-HBGVWJBISA-N 452.573 2.248 30 10 JEEE C=CC1(CC(=O)N[C@H](Cc2ccccc2)C(=O)N2CCOCC2)CN(C(=O)OC(C)(C)C)C1 1638124078 SBFRHRYUMWHZKG-HXUWFJFHSA-N 457.571 2.386 30 10 JEEE C#CC[C@]1(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2O)CCCN1C(=O)OC(C)(C)C 1649131238 VBYCINHWHWKMBP-YGKZAACZSA-N 451.564 2.266 30 10 JEEE C=CCOc1c(Br)cc(CNCCS(=O)(=O)N=S(C)(C)=O)cc1OC 1658624215 JLLGUQCPIMVOIK-UHFFFAOYSA-N 455.396 2.170 30 10 JEEE COCCN(C1CCN(C(=O)OCc2ccccc2)CC1)S(=O)(=O)N(C)C[C@@H](C)C#N 1662884379 FCDJGUZNIXMPDR-SFHVURJKSA-N 452.577 2.072 30 10 JEEE COc1ccc(S(=O)(=O)N2CCCN(C(=O)NCc3ccc(OCC#N)cc3)CC2)cc1 1678482160 HGSDRBHZHBEMCZ-UHFFFAOYSA-N 458.540 2.204 30 10 JEEE N#Cc1ccc(CN2CC[C@H](NC(=O)N3CCCC[C@H]3COC(=O)N3CCCC3)C2=O)cc1 1682021388 FXDBGPHUHLZVPL-SFTDATJTSA-N 453.543 2.456 30 10 JEEE C#CCCCCn1c(N2CC[C@@H](N3CCN(CC)CC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1689907007 XXPDBAMBBUVNMM-RCZVLFRGSA-N 458.651 2.338 30 10 JEEE C#CCCCn1c(-c2ccc(OC)cc2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1689921112 UVCRDCGEAZLNIN-AUSIDOKSSA-N 450.587 2.356 30 10 JEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](CC(C)C)NC(=O)OCC 1689959771 MKLNOZPRAONSDW-KRWDZBQOSA-N 475.619 2.468 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@@H](OC)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1689993378 BUNYJECTPVMPKR-QZTJIDSGSA-N 465.645 2.322 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1ccc(N(C)C)c(F)c1)[C@H]1CCS(=O)(=O)C1 1689994297 VUCXVECYLPWZRH-FQEVSTJZSA-N 482.585 2.144 30 10 JEEE C#CCN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1CCCCS1(=O)=O 1690058295 SPWFLSUSVPHJMW-GOSISDBHSA-N 463.991 2.288 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H](Cc2ccccc2)OC)CC1 1690132200 KYJBSKSZOVGZJR-NRFANRHFSA-N 478.622 2.283 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCCN2CCCC[C@H]2C)CC1 1690146038 DLOHMVAYAMWKEE-IFMALSPDSA-N 456.635 2.402 30 10 JEEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1690167284 FXLQBGXJODVEBW-UHFFFAOYSA-N 455.632 2.087 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(O)CCCC1 1690196656 SBZSZRDVGHZJFI-JOCHJYFZSA-N 457.600 2.493 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cnccn2)n1CCNS(=O)(=O)c1ccc(C)s1 1690203189 SYZZYVIYGQNDNC-HXUWFJFHSA-N 457.585 2.076 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2cccc(C)c2)nnc1N1CCN(C(=O)COC)CC1 1690252397 DBKQNVQOGXYMRB-GBXCKJPGSA-N 469.586 2.442 30 10 JEEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1690322306 ZYSYANODRAPYPI-URVUXULASA-N 463.623 2.284 30 10 JEEE C=C1CCN(c2nnc(CCN3CCN(c4ccccc4)CC3)n2CCC(=O)N(C)C)CC1 1690380093 BLGCHBHKTWJEMJ-UHFFFAOYSA-N 451.619 2.278 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C(F)(F)F)n1 1690597026 HIQUZBQYTOUMQA-MRXNPFEDSA-N 486.520 2.252 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1690663262 QZOWKZIMZYENAJ-NEPJUHHUSA-N 490.449 2.329 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC[C@@H](CN3CCCCCC3)C2)nnc1[C@@]1(OCC)CCOC1 1690677062 LXOLTSXQDYTUNL-SQJMNOBHSA-N 474.650 2.325 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CC[C@@H](CN2CCOCC2)C1 1690720590 NCAZPBMKOSWAPU-SFHVURJKSA-N 480.034 2.358 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)CCC2CCCC2)CC1 1690722897 ZUSLLKSWHSURTG-UHFFFAOYSA-N 474.631 2.493 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)CC(C)C 1690723178 KIPSAFNNOLTZJF-UHFFFAOYSA-N 458.588 2.368 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCOC3(CCCCCC3)C2)nnc1[C@@]1(OCC)CCOC1 1690732058 UTAYQDMBKLFXBY-HSZRJFAPSA-N 482.647 2.461 30 10 JEEE CCOc1c(OC)cc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)[C@@H](C)CC#N)cc1OC 1696096161 HKKBGHQSOKXVLY-RDJZCZTQSA-N 477.587 2.383 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(F)cn1 1698048990 FGTBIHCXYHZGKX-LJQANCHMSA-N 484.557 2.287 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](CC)N1CCc2ccccc2C1 1705477103 JGIVKECPBDNGGW-WAOWUJCRSA-N 458.632 2.183 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1c(CC)nn(C)c1CC)[C@H]1CCS(=O)(=O)C1 1705567644 XWSWRZXIDJLDJO-LAUBAEHRSA-N 474.631 2.053 30 10 JEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CCN(C)C(=O)OC(C)(C)C 1705585398 RKEIMNARHBYYGP-UHFFFAOYSA-N 456.572 2.209 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2CC(C)(C)N2C[C@@H](C)O[C@H](C)C2)CC1 1705647142 BCMOTOZREAXPLU-RTBURBONSA-N 456.635 2.399 30 10 JEEE C#CCSCCn1c(-c2ccccc2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1705656986 OZEALHOQEKUJAE-UHFFFAOYSA-N 480.638 2.252 30 10 JEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 1705830444 PSGZCZNQPAXQLE-MSOLQXFVSA-N 483.635 2.266 30 10 JEEE C=CCn1c(COc2ccc(F)cc2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1705892995 VQKRUWILWULOJD-JOCHJYFZSA-N 458.582 2.413 30 10 JEEE C=CCNC(=O)Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCN2C(=O)OC[C@H]2C1 1705907835 ZICRVYMGNKDVMO-GOSISDBHSA-N 488.976 2.195 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1705932899 NGXTWHMKRJWOHA-IBGZPJMESA-N 493.077 2.416 30 10 JEEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1722311712 ZWPFJAVOTGGZNP-RBUKOAKNSA-N 473.555 2.113 30 10 JEEE C#CCCCn1c(COc2ccccc2F)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1722340400 WPSGFXSDJMFSKA-HXUWFJFHSA-N 454.506 2.176 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccc(Cl)c3)n2Cc2nncn2C)n1 1722428043 QCSIVOJOEJAXHK-UHFFFAOYSA-N 465.949 2.258 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@H](C)N(C)C)CC1 1722450447 JCINECRTAGSLGG-ICSRJNTNSA-N 487.649 2.266 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccc(N(CC)CC)nc2)CC1 1722450663 OSTIZDHIGRKKJY-OAQYLSRUSA-N 465.602 2.385 30 10 JEEE C#CCSCCn1c(-c2ccc3ccccc3n2)nnc1N1CCC(NS(C)(=O)=O)CC1 1722454570 MQKICWXONIGMBK-UHFFFAOYSA-N 470.624 2.378 30 10 JEEE C=C(Br)Cn1c(N(CC)[C@H]2CCS(=O)(=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1722489916 VCGMFEBJLUYUOK-MAUKXSAKSA-N 477.425 2.241 30 10 JEEE C=C(C)COCCn1c(-c2cc(F)ccc2Br)nnc1N1CCO[C@H](C(=O)NC)C1 1722530495 GMUYUQBPOROZRH-KRWDZBQOSA-N 482.354 2.391 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](c2ccsc2)N(C)C)CC1 1722581732 LDOVOSGQZJYKQG-PMACEKPBSA-N 494.687 2.378 30 10 JEEE C=CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1722614844 VMFGBSZSJZZXKN-MRXNPFEDSA-N 456.572 2.172 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 1722700680 PRLCJBCKAYWALM-UHFFFAOYSA-N 465.602 2.041 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1722724021 KXWQSWDFEBYFAL-NJYVYQBISA-N 471.627 2.383 30 10 JEEE C=CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1722734726 IUERASWIYNNINA-WIYYLYMNSA-N 491.683 2.425 30 10 JEEE C=CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1722736109 WZOPXHUQKLPOQP-UHFFFAOYSA-N 456.572 2.394 30 10 JEEE CC(C)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCOC2=O)[C@@H](C)C1=O 1723468404 CPGZBMFFEKPUEU-IBGZPJMESA-N 495.584 2.264 30 10 JEEE CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1729311574 HXECRQMIUHNYNP-UHFFFAOYSA-N 480.960 2.192 30 10 JEEE COC(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN(C)CC(F)(F)F)C1 1729777523 DOBCDMQNMURRHQ-INIZCTEOSA-N 466.464 2.222 30 10 JEEE CO[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1)C(C)C 1729875881 DUZNAIDIDGVEHG-AVRDEDQJSA-N 465.602 2.277 30 10 JEEE CO[C@@]1(Cn2c(CC(C)(C)C)nnc2N2CCN(c3nccnc3C#N)C[C@@H]2C)CCOC1 1729948622 FDVXMMQYWNRVAA-GAJHUEQPSA-N 454.579 2.049 30 10 JEEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 1740565691 ZTKHCWGPOJNZDX-JOCHJYFZSA-N 477.613 2.147 30 10 JEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@H](C(F)(F)F)C1 1740582592 PHZCTDIBACYLLT-KRWDZBQOSA-N 471.505 2.376 30 10 JEEE C#CCN(c1nnc(CC)n1C[C@H](c1ccc(OC)cc1)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1740626564 LVRGWOZLTKQNGD-IFMALSPDSA-N 471.627 2.313 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC[C@@H]1COCCO1 1740684605 WDDUPQIZTCSUTO-LJQANCHMSA-N 480.569 2.127 30 10 JEEE C#CCN1CCN(c2nnc(-c3nn(C(C)C)c(=O)c4ccccc34)n2C[C@H](CC)OC)CC1 1740695540 VZHBZLMDBLBFIK-IBGZPJMESA-N 463.586 2.416 30 10 JEEE C#CCN1CCN(c2nnc(CCN3CCN(c4ccccc4)CC3)n2CC(C)(C)COC)CC1 1740698651 JBUFMBQFELWXTL-UHFFFAOYSA-N 479.673 2.071 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCOCCN(C)C 1740731460 BTBWAMUXRLBIGM-YADARESESA-N 476.622 2.157 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccccc2OC)n1CCS(=O)(=O)N(C)C 1740735463 QIPPKAAQKZQGLL-OAQYLSRUSA-N 463.629 2.463 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC(=O)N1CCOCC1 1740777759 GPCKZIPYCFGCHU-HDICACEKSA-N 462.595 2.310 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2c(Cl)cccc2OC)CC1 1740826174 YVFLDFZORHJGOE-LJQANCHMSA-N 482.006 2.478 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1740954203 FXWSWLRIEUGHSZ-BTYIYWSLSA-N 476.375 2.394 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1CC1([S@@](C)=O)CCC1 1741913001 DHLVWPPXAGCGOR-MWOWJKGTSA-N 490.655 2.230 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](C(C)C)N1CCOCC1 1748670942 FBYUMELNABYBBM-HBMCJLEFSA-N 490.649 2.401 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2CCc2noc(CC)n2)c1 1748692818 PHQAJOHYBWFQRN-GOSISDBHSA-N 463.542 2.416 30 10 JEEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1748697461 JAPJMPFTROPZQH-GOSISDBHSA-N 460.579 2.048 30 10 JEEE C#CCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1748735211 DLMNTGADMMIWQR-QGZVFWFLSA-N 484.988 2.412 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@]1(C)CN(C)C1=O)[C@H]1CCS(=O)(=O)C1 1748807725 BXISQGGMVGRYKM-BTYIYWSLSA-N 496.420 2.357 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@]1(C)CCCO1)[C@@H]1CCS(=O)(=O)C1 1748807882 DAGJTVMSZHTWDG-NQIIRXRSSA-N 459.528 2.049 30 10 JEEE COc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCNC(=O)c2cccs2)cc1 1748877242 IBUBSFSRKBMOOR-SFHVURJKSA-N 468.539 2.086 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC(C)(OC)C1 1749120926 JBVMYWMBNDZCMO-ICSRJNTNSA-N 475.615 2.402 30 10 JEEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1749285547 OCFATNRXSBCGTK-UFYCRDLUSA-N 474.993 2.103 30 10 JEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCC)Cc1ccc(F)cc1F 1749629970 LVNKUENOKOOTHD-SFHVURJKSA-N 455.531 2.492 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cn2ccc3ccccc32)nnc1N1C[C@@H](COC)O[C@H](C)C1 1749738054 DDOPFUWPIPMMFB-QUCCMNQESA-N 473.599 2.122 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](c2ccc(F)cc2)C1 1749740938 LBDZSLKJDGNKNB-RTBURBONSA-N 450.536 2.447 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1Cc2ccccc2O[C@@H](C)C1 1749741089 OWVYUPRGOQOXJM-CUWPLCDZSA-N 476.599 2.390 30 10 JEEE CC(C)NC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 1750992036 GOHSYRGYAYRZCS-SFHVURJKSA-N 464.530 2.426 30 10 JEEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1760148004 KUBUNFXABPRDFD-HXUWFJFHSA-N 474.363 2.264 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccccc2C)CC1 1760265569 DTYFJQUKLQZFAU-VWLOTQADSA-N 451.571 2.253 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCc2ccc(OC)c(F)c2)CC1 1760265733 IAQBYPIRKGKENQ-SANMLTNESA-N 499.587 2.286 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CCNC(=O)c2cccs2)CC1 1760270718 XGOPYDFOWFLFHY-UHFFFAOYSA-N 456.616 2.324 30 10 JEEE C#CCSCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1760278148 ZOJOUSHRRWYNRJ-KRWDZBQOSA-N 493.655 2.189 30 10 JEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)CC2CCCC2)CC1 1760281819 XVDHBPXGBHOPTK-IBGZPJMESA-N 458.632 2.215 30 10 JEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1760359808 LHJBOYLOMYQTRL-FQEVSTJZSA-N 456.595 2.118 30 10 JEEE C=CCn1c(CCc2ccc(OC)cc2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1760512213 NYNKCMHHMJKSGF-CVDCTZTESA-N 452.603 2.247 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1760519577 IULYLDNUAJLSCP-QUCCMNQESA-N 491.596 2.163 30 10 JEEE C=CCOc1ccc(Cn2c(CNC(=O)c3cccs3)nnc2N2CCS(=O)CC2)cc1 1760531492 QRHWKHQRKPFXRF-UHFFFAOYSA-N 471.608 2.451 30 10 JEEE C=CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1760561491 BVIDVGBKHHUQNE-KRWDZBQOSA-N 468.587 2.405 30 10 JEEE C[C@]1(C#N)CCCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1761542090 GSGOZQUCNUHKPX-NHCUHLMSSA-N 481.525 2.226 30 10 JEEE CC[C@@H](C)N(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](C(=O)NC)C1 1762017817 HERFXZPGAUMLNM-QUCCMNQESA-N 453.591 2.421 30 10 JEEE CCc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1CC(C)(C)N1CCOCC1 1764553075 FDHYKGZCCLWUFZ-HXUWFJFHSA-N 454.575 2.259 30 10 JEEE CCCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)cc1OC 1764610301 FADYMWLVZCVFJT-VGSWGCGISA-N 477.562 2.468 30 10 JEEE CN(C)[C@]1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@H](CC(N)=O)C2)CCSC1 1768490806 GCXPIBAOODGIHS-DVECYGJZSA-N 483.642 2.258 30 10 JEEE CS(=O)(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCn2cccn2)C1 1771346937 GWALKVLBGQKEJD-FQEVSTJZSA-N 469.571 2.029 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(Cc2ccc(OC)c(F)c2)CC1 1772567195 TWNKPJINBNIJEE-OAQYLSRUSA-N 472.565 2.292 30 10 JEEE C=CCOc1ccccc1[C@H]1C(C(=O)N(CCN)C(C)=O)=C(N)Oc2c1c(CC)nn2CCC 1865229621 NYUFKZJYLAJIGW-HXUWFJFHSA-N 467.570 2.449 30 10 JEEE CC[C@@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)N1CCN(C/C=C/c2ccccc2)CC1 1869930237 VEPNWFPQVTTWFM-OGECGYFKSA-N 452.580 2.361 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCCCO)cn1CCc1ccc(OC)c(OC)c1 1870358274 ZJSTVCQKIMJLFQ-UHFFFAOYSA-N 499.608 2.160 30 10 JEEE COc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)NCC(=O)Nc3ccccc3C#N)CC2)cc1 1873868672 MIIKPNZTNBPUBG-IYARVYRRSA-N 484.578 2.406 30 10 JEEE CC(C)N1C(=O)CS[C@H](C(=O)N2CCO[C@H](C(=O)N3CCCCC3)C2)[C@@H]1c1ccc(C#N)cc1 1890790520 RVOUJJVCLFJQHF-PMVMPFDFSA-N 484.622 2.192 30 10 JEEE N#CC1CN(C(=O)c2cc(I)cc(I)c2O)C1 2000606873 CJDIJGIEHOZIKH-UHFFFAOYSA-N 454.005 2.197 30 10 JEEE N#C[C@@H](C(=O)Nc1c(I)ncnc1I)C1CC1 2008292788 CJDGBSLWKVBNPF-ZCFIWIBFSA-N 454.009 2.174 30 10 JEEE CCCCCC[C@H](C)C=C(C)C=CC(=O)N[C@@H]1C[C@]2(O[C@@H]1O)[C@H]1O[C@@H]1[C@](O)(CC(C)=O)[C@H]1O[C@H]12 2058696856 YFJWRMZGLWVCSQ-IBUUVZTRSA-N 477.598 2.316 30 10 JEEE CC1(C)OB(c2cc(C(=O)N[C@]3(C)CCN(C(=O)OCc4ccccc4)C3)[nH]n2)OC1(C)C 2247827265 GPJBZMZORRQJBE-HSZRJFAPSA-N 454.336 2.240 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2CCC(O)(CNC(=O)OC(C)(C)C)CC2)C1 2255151954 WVDNMRDRHMAYEJ-UHFFFAOYSA-N 451.564 2.171 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCO[C@H]1C(=O)NCc1sccc1B1OC(C)(C)C(C)(C)O1 2256621735 YNCRPFCMBOBJMO-GOEBONIOSA-N 452.382 2.346 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1COC[C@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2266988752 STTMYFWYBAAXRN-SJORKVTESA-N 450.316 2.147 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](CNC(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1O 2266996164 FZPQZEWFYCVILS-XYPHTWIQSA-N 466.409 2.441 30 10 JEEE CC(C)(C)OC(=O)NCCc1csc(NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)n1 2267135334 BKOGVKCZAUULMY-UHFFFAOYSA-N 463.369 2.485 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C[C@H]1CO 2267487445 NZRYBTWUUJHJCO-YOEHRIQHSA-N 466.409 2.395 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H](C(=O)NCc2sccc2B2OC(C)(C)C(C)(C)O2)C1 2268629094 QUXBTAQTQAXHMW-GJZGRUSLSA-N 466.409 2.281 30 10 JEEE COC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1 2281797018 ZGIQURIDOHCPAR-INIZCTEOSA-N 461.368 2.089 30 10 JEEE CC1(C)OB(c2c[nH]nc2C(=O)Nc2cc(F)cc(CNC(=O)C(F)(F)F)c2)OC1(C)C 2281985117 HWRVQASDTTUXSC-UHFFFAOYSA-N 456.205 2.279 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)[C@@]2(CCOC2)C1 2282005582 QETIQWOASIMVET-FPTDNZKUSA-N 479.408 2.341 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CC1(F)F 2282017074 GEOKJJOEEHQISQ-CQSZACIVSA-N 468.310 2.150 30 10 JEEE C[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282035059 PUAXGKPFQPRXKM-JKSUJKDBSA-N 462.400 2.485 30 10 JEEE Cn1nc(C(=O)N[C@@H]2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2282038548 JXQOSPUFEDWFEZ-MGPQQGTHSA-N 480.802 2.358 30 10 JEEE Cn1nc(C(=O)N2C[C@@H]3C[C@@H]3[C@@H]2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2282045412 WKAPVSQLHPLXIZ-IHRRRGAJSA-N 480.802 2.358 30 10 JEEE C[C@@H](NC(=O)OC(C)(C)C)C1CCN(C(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)CC1 2282046904 RFUZTXNCUOIJDQ-OAHLLOKOSA-N 462.400 2.485 30 10 JEEE CC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282064125 VFDKNHDFOLOLAD-WBVHZDCISA-N 462.400 2.485 30 10 JEEE C[C@H]1C[C@@H](NC(=O)C(F)(F)F)CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2282342614 JUQSCLDKJOFRIQ-DZGCQCFKSA-N 476.326 2.063 30 10 JEEE C[C@@H]1C[C@H](NS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CN(C(=O)OC(C)(C)C)C1 2282348123 HPZNBUMTPMOPPN-WBVHZDCISA-N 481.424 2.305 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@]2(NS(=O)(=O)c2ccc(F)cc2B2OC(C)(C)C(C)(C)O2)C1 2282513120 XUGHFBQBPJPPEH-RCDICMHDSA-N 482.383 2.413 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 2282536002 WPDNJAOBYCBXKW-MUJYYYPQSA-N 460.384 2.380 30 10 JEEE Cn1cc(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C(F)F)nc1B1OC(C)(C)C(C)(C)O1 2282543264 NTUHEIYQJDLTPW-SJORKVTESA-N 460.334 2.215 30 10 JEEE Cc1c(C(=O)N=[S@@](C)(=O)C[C@@H](C)NC(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282551600 KSZWYWIHBVKLQD-AYIMHOFYSA-N 484.428 2.179 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2CCN(C(=O)c3ncc(B4OC(C)(C)C(C)(C)O4)cn3)C[C@@H]2C1 2282625132 RCNXAOSCCLAUAG-HZPDHXFCSA-N 458.368 2.105 30 10 JEEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CN(Cc2ccccc2)C2(CCC2)C1 2282682000 JCGYQFWUBHGPGA-SFHVURJKSA-N 451.380 2.041 30 10 JEEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1CN(Cc2ccccc2)C(C)(C)C1 2282698270 AVMVIWUEJJQHAQ-SFHVURJKSA-N 453.396 2.145 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](NS(=O)(=O)Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CCO1 2282844387 CKHIDHWRCDAXKM-SFHVURJKSA-N 482.408 2.346 30 10 JEEE COC(=O)[C@@H](CC(=O)NCc1scc(C)c1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2283935855 IXTFQLCNYJSBLB-CQSZACIVSA-N 482.408 2.428 30 10 JEEE CC(C)(C)OC(=O)NC[C@]1(O)C[C@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2283960634 ZSGZPTXBVAMDMB-MRAWUWRDSA-N 465.331 2.124 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1COC[C@]1(C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2283970505 GLXYQMZLLCEJKV-NYHFZMIOSA-N 465.331 2.388 30 10 JEEE CC(C)(C)OC(=O)NC[C@]12CO[C@](C(=O)Nc3cccc(B4OC(C)(C)C(C)(C)O4)n3)(C1)C2 2284062371 KIGQSBDPTREHKZ-ZRZAMGCNSA-N 459.352 2.393 30 10 JEEE COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1NC(=O)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 2284146151 DYCAPRMUGKXFCR-QHCPKHFHSA-N 462.352 2.305 30 10 JEEE Cc1cccc(OC[C@@H](O)Cn2c(NN=Cc3ccc(F)cc3)nc3c2c(O)nc(=O)n3C)c1 2327753941 PFLGKAOVOVBZQV-KRWDZBQOSA-N 466.473 2.169 30 10 JEEE COc1ccc([C@@H]2c3c(nc(NCc4ccc5c(c4)OCCO5)[nH]c3=O)NC(=O)[C@H]2C#N)cc1 72472556 XKRGCMKGCOVOBZ-LPHOPBHVSA-N 459.462 2.386 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H]1COc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 204869818 VCGONEKUAJLLDH-FUHWJXTLSA-N 490.410 2.449 30 10 JEEE COc1cc(/C=N/Nc2nc3c(c(O)nc(=O)n3C)n2CCCOc2ccccc2)ccc1O 606630976 SOFJZZLLXMWLOX-ZVHZXABRSA-N 464.482 2.465 30 10 JEEE C=C1C(=O)O[C@@H]2/C=C(/C)[C@@H](OC(C)=O)C/C=C(/COC(C)=O)C[C@H](OC(=O)/C(C)=C/CO)[C@@H]12 725325752 HPWMABTYJYZFLK-JNTIYTLOSA-N 462.495 2.096 30 10 JEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H]1CCO[C@H](c2ccnn2C)C1 1158229796 HIBOFNPDABISBD-AYBZRNKSSA-N 459.572 2.054 30 10 JEEE C#CCC1(O)CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)c2)CC1 1175853751 HWBAPAMCSIEXHX-IYBDPMFKSA-N 454.976 2.128 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)S(=O)(=O)c2cc(C(=O)OCC)c(C)c([N+](=O)[O-])c2)c1 1208431463 PINZTFMZHZPIKF-UHFFFAOYSA-N 459.480 2.320 30 10 JEEE C#CCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1286348675 ZKPRWNMCDNDGHA-UHFFFAOYSA-N 467.599 2.404 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1CC(C)(C)c1ccccn1)[C@H]1CCS(=O)(=O)C1 1286386775 HGEMUBQIADLLAV-SFHVURJKSA-N 452.584 2.283 30 10 JEEE C#CCN(c1nnc(Cc2c[nH]c3ccccc23)n1C[C@@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1286394178 VBZSSEHBDJWJQB-MBSDFSHPSA-N 455.584 2.138 30 10 JEEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1C[C@@H]1CCC[C@H](O)C1)[C@H]1CCS(=O)(=O)C1 1286394665 JXNMFTUQHUIBOZ-AABGKKOBSA-N 488.610 2.044 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCOC(C)C)CC1 1286487619 HAPINPMFKUGRAC-UHFFFAOYSA-N 463.380 2.427 30 10 JEEE C#CCSCCn1c(N(C)[C@@H]2CCCN(c3cccnn3)C2)nnc1[C@@]1(OCC)CCOC1 1286510569 XEVYZRGNZQRDCL-AUSIDOKSSA-N 471.631 2.192 30 10 JEEE C=C(C)CN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCN1CCN(C(C)=O)CC1 1286582348 XBKCKQGSZCJMOW-UHFFFAOYSA-N 481.649 2.019 30 10 JEEE C=C(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1286584916 QMOCYHFKRAMLBF-UHFFFAOYSA-N 465.602 2.468 30 10 JEEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 1286600721 DAIAPWIDMHLOCC-KRWDZBQOSA-N 450.584 2.455 30 10 JEEE C=CCCCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1286690030 BHDSATBIUWUOHL-SFHVURJKSA-N 462.595 2.487 30 10 JEEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCOC(C)(C)C1 1286726894 KISLTUDOKRSLRK-GOSISDBHSA-N 464.611 2.320 30 10 JEEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(-n2nc(C)cc2C)nc1)C1CC1 1286732526 VLQQYKGVGCTUIV-QGZVFWFLSA-N 470.603 2.289 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1286792422 XKLTUSXEIXEMDM-NTKDMRAZSA-N 455.559 2.242 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc(CN2CCCC2=O)n1Cc1ccccc1CN1CCC(O)CC1 1288529342 HOIZAEMEXOIYNF-IBGZPJMESA-N 465.602 2.144 30 10 JEEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](NC(C)=O)C1 1300412341 VWUCTFUNMAJYBE-RBUKOAKNSA-N 460.579 2.105 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1Cc1cnn(C)c1C)[C@H]1CCS(=O)(=O)C1 1300482132 DDTKQCKHTPDBDU-SFHVURJKSA-N 490.536 2.263 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@@](C)(O)c1ccco1)[C@@H]1CCS(=O)(=O)C1 1300503240 BTEKDLFCVCQTJA-NTKDMRAZSA-N 484.578 2.293 30 10 JEEE COc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1CCCN1C[C@H](C)O[C@H](C)C1 1300658435 DVWMMJDEKIEWQX-HSALFYBXSA-N 470.574 2.094 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2Cc2cccn(CC)c2=O)CC1 1300708601 WDXUVOUALGFZJR-UHFFFAOYSA-N 466.973 2.496 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2Cc2ccc3c(c2)CCCN3C)CC1 1300716186 KDUAHHNREVCDKL-FQEVSTJZSA-N 494.640 2.399 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2C[C@@](C)(O)CCC)CC1 1300718960 IXLCUTBLYJFVKX-VWLOTQADSA-N 467.570 2.233 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(=O)c2ccc(F)cc2)CC1 1300952023 FHCIBYYGPBNKLY-FQEVSTJZSA-N 491.589 2.426 30 10 JEEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1300974945 QNFGWLVEWMEDBG-LJQANCHMSA-N 473.599 2.142 30 10 JEEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1301605958 FNVLPNMEBNQBSF-UHFFFAOYSA-N 451.556 2.330 30 10 JEEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCC(C)(C)C 1303861000 CXRXRLHTUVMXHG-DLBZAZTESA-N 489.650 2.091 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCN1CCN(C)C(C)(C)C1 1305766391 GFLFEIPSQXCZHC-DEOSSOPVSA-N 458.655 2.353 30 10 JEEE CN(Cc1cccc(C#N)c1)c1nnc(CN2CCCC2=O)n1CCN1CCOCC1(C)C 1314740870 DOBVNUHUYIEOBI-UHFFFAOYSA-N 451.575 2.019 30 10 JEEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCc1nccnc1C 1358895832 RNBYRPWVLIENRC-NRFANRHFSA-N 458.614 2.442 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCC(=O)Nc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1358961687 DBCZDGYEEKTOQO-WOJBJXKFSA-N 471.583 2.175 30 10 JEEE C#CCN(c1nnc(CC)n1C[C@H](c1ccccc1Cl)N(C)C)[C@H]1CCS(=O)(=O)C1 1358964190 VDWXDOZUHUAMDD-QFBILLFUSA-N 450.008 2.424 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CCC1CCN(CC)CC1)[C@H]1CCS(=O)(=O)C1 1358964715 FRYLRIFTXZZBQB-QFIPXVFZSA-N 470.643 2.013 30 10 JEEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1CCn1cc(Br)cn1 1359013101 KULSSCGYTIGFCD-UHFFFAOYSA-N 462.377 2.388 30 10 JEEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCN(c2nccc(OCC)n2)CC1 1359053982 GOARZTJHTIDRTJ-UHFFFAOYSA-N 452.588 2.165 30 10 JEEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(C)c1 1359132911 IDXWFPUVPZCXGF-HXUWFJFHSA-N 463.604 2.149 30 10 JEEE C=CCCCCn1c([C@@H]2CCOC2)nnc1N1C[C@@H]2[C@H](C1)[C@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1359203857 XMDVOKLVQSRKSD-NCXUSEDFSA-N 495.646 2.265 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@@H](C)C[C@@H](C)C1 1359330893 GQRSGLIZFRUXBX-CALCHBBNSA-N 470.599 2.275 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@H](c1cccc(F)c1)N(C)C 1360692831 AFCBNFLJAUJLBD-DKZVUGQWSA-N 477.610 2.460 30 10 JEEE CCC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1499949042 AUKSJUYTUVBNKM-AUSIDOKSSA-N 474.631 2.476 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)Nc3ccccn3)n2CC2(N(C)C)CCC2)c1 1507547417 LAVSEPLOTFHQDR-UHFFFAOYSA-N 486.580 2.466 30 10 JEEE C#CCCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1507589614 MQYMRNZWVSMLRP-QGZVFWFLSA-N 450.634 2.155 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1Cc1cc(C(CC)CC)no1)[C@H]1CCS(=O)(=O)C1 1507631907 UXTDLPYZYRKULH-KRWDZBQOSA-N 469.571 2.302 30 10 JEEE C#CCN(c1nnc(COCC)n1C[C@@](C)(O)c1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 1507636826 DRNAXZXNUNDGHH-IIBYNOLFSA-N 466.991 2.002 30 10 JEEE C#CCN(c1nnc(COCC)n1C[C@H]1CCN(c2ccccc2F)C1)[C@@H]1CCS(=O)(=O)C1 1507639126 VYSMHZZNYZEWCL-RBUKOAKNSA-N 475.590 2.107 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1CC(C)(C)N1CCOCC1 1507702634 LJDCQOSRPLCJSY-UHFFFAOYSA-N 468.577 2.290 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccc3F)n2C[C@H]2NC(=O)CC2(C)C)n1 1507716843 NLJGBYRKGGJQFU-OAQYLSRUSA-N 479.560 2.482 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 1507719967 QXIVMXQNCSHOLW-RTWAWAEBSA-N 490.649 2.404 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCOC2)n1CCS(=O)(=O)N1CCSCC1 1508004407 MDGZABZFKMOTCG-HXUWFJFHSA-N 477.656 2.353 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1508075103 TZDUXZATCRLODP-CQSZACIVSA-N 494.394 2.441 30 10 JEEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)CCc2ccc(OC)cc2)CC1 1508091016 LDIRPBWSOYYMHS-UHFFFAOYSA-N 482.629 2.459 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC[C@@H](Oc3ccccc3)C2)nnc1[C@@]1(OCC)CCOC1 1508096982 FFLJVRXXDCYBOH-HYBUGGRVSA-N 455.559 2.280 30 10 JEEE COCCN(C)CCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCO[C@@H](C#N)C1 1519107835 AOMXSAVGFBQYIE-IBGZPJMESA-N 451.531 2.297 30 10 JEEE C#CCn1ccc(CN(CCOC)C(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)n1 1531362653 FLCLJQYLEBASIB-UHFFFAOYSA-N 458.584 2.370 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1CC1CCN(C(=O)OC)CC1)[C@@H]1CCS(=O)(=O)C1 1539212325 UYERIQQVAXYQNA-HXUWFJFHSA-N 485.610 2.359 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@H](OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1539218792 DEMHFYULRXAAQW-UZLBHIALSA-N 464.538 2.199 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(C)s1)[C@H]1CCS(=O)(=O)C1 1539229300 BKLHNJFNRFPNEM-SFHVURJKSA-N 458.613 2.185 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CCCNC(C)=O)CC1 1539470127 YHADWELJHHQYNB-QFIPXVFZSA-N 450.587 2.312 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2Cc2ccc(NC(C)=O)cc2)CC1 1539475677 LVQGJWCUGUGQCI-UHFFFAOYSA-N 457.538 2.313 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2Cc2c(CC)nn(C)c2CC)CC1 1539476505 ZCGCBINXJNLLGK-UHFFFAOYSA-N 460.586 2.213 30 10 JEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 1539509952 BCMMUIRISXYROF-QAPCUYQASA-N 461.613 2.197 30 10 JEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2cc(F)ccc2F)CC1 1540007171 YXWATEVEFZUVCX-HXUWFJFHSA-N 496.584 2.182 30 10 JEEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccccc2[C@@H]1C 1540037499 MRVIZRXPWWAKAG-GHTZIAJQSA-N 475.615 2.327 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@H]2CC=CCO2)C1 1540885260 FDYQXDSSYKBIID-PMACEKPBSA-N 473.599 2.322 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)Cc1ccco1 1540901387 BORCAVJULSSPAG-UHFFFAOYSA-N 468.539 2.022 30 10 JEEE CNC(=O)[C@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CCN1S(=O)(=O)c1cccc(OC)c1 1548369165 GEGSWJQSZPCZDT-LJQANCHMSA-N 482.484 2.211 30 10 JEEE COCCNC(=O)[C@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CCN1C(=O)c1cscn1 1548371123 WJIFYDJXBMMZSL-QGZVFWFLSA-N 467.473 2.127 30 10 JEEE CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC([C@@H]2CCOC2)CC1 1552378071 AKINROUEIBDNHF-HXUWFJFHSA-N 458.588 2.009 30 10 JEEE COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1C[C@H](C)N1CCc2ccccc2C1 1555554982 FRNXAACJMIQAMZ-FQEVSTJZSA-N 465.602 2.327 30 10 JEEE C#CCOc1ccc(CNC(=O)[C@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(C(C)C)cc2)cc1 1556660598 UKCGGLRLPUIPEV-NFBKMPQASA-N 456.564 2.262 30 10 JEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC1CCN(CC(F)F)CC1 1556850990 CGDVYFHKIXTAIP-KRWDZBQOSA-N 456.559 2.233 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H](c1cccc(F)c1)N(C)C)[C@H]1CCS(=O)(=O)C1 1588064148 BPSHMCFMMZISRD-GOTSBHOMSA-N 496.612 2.333 30 10 JEEE C#CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1589036926 QVLUQIDNMMMKJQ-SFHVURJKSA-N 484.626 2.077 30 10 JEEE C#CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@@H](CNC(C)=O)C1 1589037059 UQUJQJZYUALOEP-SFHVURJKSA-N 455.584 2.435 30 10 JEEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(=O)c2cccc(F)c2)CC1 1593637157 YWLRQSJYQULHNR-SFHVURJKSA-N 461.563 2.248 30 10 JEEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 1594783801 IZLJKJPKEAOYTF-IBGZPJMESA-N 460.623 2.486 30 10 JEEE C=CCCOCCn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1594819291 ASRKYNNVOJNRQV-UHFFFAOYSA-N 480.613 2.041 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1595490146 NSNHOQJHRQPLDO-VLIAUNLRSA-N 479.379 2.112 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1595772897 IVLANWCPRDAMQS-HXUWFJFHSA-N 470.599 2.159 30 10 JEEE CC[C@H](C)N(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1613405604 DAHCYUQTWYEUKQ-SFHVURJKSA-N 473.647 2.407 30 10 JEEE CO[C@H](C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1618930301 BJDNANPIAAXSGQ-MRXNPFEDSA-N 464.505 2.298 30 10 JEEE CO[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1618946278 AMEFCCOLGILJRA-KRWDZBQOSA-N 479.541 2.459 30 10 JEEE COc1ccc(OC(F)F)c(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@H](C)C#N)c1 1619305447 HARLYZYVZJHBJX-ZIAGYGMSSA-N 469.514 2.434 30 10 JEEE C#CCN(CC1CC1)C(=O)c1cc(S(=O)(=O)NC[C@@H]2CCCO2)ccc1Br 1630791855 AWNHSYVOFMFMCV-HNNXBMFYSA-N 455.374 2.392 30 10 JEEE CC#CC[C@@H](CO)NC(=O)[C@H](CCSC)NS(=O)(=O)c1cc(Cl)ccc1Cl 1640795108 WYYIWWZZTCPWCM-ZFWWWQNUSA-N 453.413 2.284 30 10 JEEE C#CCN(C(=O)NCC(C)(C)NS(C)(=O)=O)[C@H]1CCOc2ccc(Br)cc21 1668488426 NXANNXJVKJUEPQ-HNNXBMFYSA-N 458.378 2.245 30 10 JEEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cc(C(F)(F)F)ccc2C(=O)OC)n1 1668982310 GMZZMTUJCOPWTP-UHFFFAOYSA-N 459.446 2.159 30 10 JEEE C#C[C@@H](NC(=O)NCc1cn(CC(F)(F)F)c(=O)nc1O)c1ccc(Br)cc1 1674031149 QNSFLGHHBRARND-CYBMUJFWSA-N 459.222 2.447 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCN2CCCCC2)c1 1689871692 BTJXJEFJYIWNNL-NRFANRHFSA-N 498.653 2.112 30 10 JEEE C#CCN(CCOC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC[C@H]1COCCO1 1690104529 YXTUHVDKXZAITD-FQEVSTJZSA-N 477.606 2.284 30 10 JEEE C#CCN1CCN(c2nnc(-c3sc(-c4ccccc4)nc3C)n2CCS(C)(=O)=O)CC1 1690113684 QJQVEIZTUNFMHV-UHFFFAOYSA-N 470.624 2.177 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2nccc(C(F)F)n2)CC1 1690115025 ORUNHYMDPRFRPG-UHFFFAOYSA-N 454.441 2.384 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2C[C@@H](C)SC)CC1 1690144297 SYEIYRKQDPUMBY-QGZVFWFLSA-N 493.637 2.392 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C 1690190309 QVIRZNLPZZTYRW-PNLZDCPESA-N 482.651 2.383 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1690673443 WEUVRUXVGXZLPA-FQEVSTJZSA-N 453.522 2.105 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1cccc(N2CCCC2=O)c1 1692781605 GHBAEDBKPBSLMW-SBUREZEXSA-N 485.614 2.193 30 10 JEEE CC[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H](C)C#N)NC(=O)OC(C)(C)C 1694387077 ATOOJOFPHSRMPZ-ARFHVFGLSA-N 454.597 2.079 30 10 JEEE CCN1C[C@@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2CC2CCS(=O)(=O)CC2)C[C@H]1C 1695813216 FENOFZHJZISCBY-RTBURBONSA-N 486.642 2.472 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 1705495155 LJARAJUZGXSFRK-RCCFBDPRSA-N 465.620 2.285 30 10 JEEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC[C@H](C(F)F)N1CCOCC1 1705540850 PEKQVLDRAGVPLQ-GOSISDBHSA-N 480.947 2.287 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1Cc1ccc(OC)nc1)[C@H]1CCS(=O)(=O)C1 1705568125 HZPYDKHJRZFGGZ-FQEVSTJZSA-N 481.578 2.244 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2Cc2nc3c(s2)C[C@H](C)CC3)CC1 1705635033 PIBDDGCPGIOGAI-MSOLQXFVSA-N 458.632 2.387 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](NC(=O)OC(C)(C)C)C(C)C)CC1 1705639697 UNZLDMRGHJEIDG-UXHICEINSA-N 460.623 2.477 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2CCCCN2CCC[C@@H]2CO)CC1 1705645902 IXUBEENMOFCBPX-HSZRJFAPSA-N 464.614 2.148 30 10 JEEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1CCCN(Cc2nc([C@H](C)OC)no2)CC1 1705658208 IJZTXESRUIGTIL-KRWDZBQOSA-N 470.603 2.442 30 10 JEEE C#CCSCCn1c(N2CCN(CC(F)(F)F)CC2)nnc1[C@]1(OC(C)C)CCOC1 1705665059 JDWUIZWLJVNTBV-IBGZPJMESA-N 461.554 2.369 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1705708832 HXPDMWGSXIHGCP-GHTZIAJQSA-N 457.579 2.229 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@H]1COCCO1 1705857044 OASYHZPLINPPTF-FPOVZHCZSA-N 476.599 2.187 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc3c(c2)CCCO3)C1 1705917501 WYUPJWNPVTZMAX-QFBILLFUSA-N 461.588 2.043 30 10 JEEE CC(C)C(=O)NCCn1c(-c2ccc(Br)s2)nnc1N1CCO[C@@H](C#N)C1 1706238003 CXDKDEZIQAQBCI-LBPRGKRZSA-N 453.366 2.270 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccccc1CN1CCC[C@@H]1CO 1722282423 YSYHHMIRPPWGFM-VAPDBKPJSA-N 467.614 2.393 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCNS(C)(=O)=O 1722394695 BLBFPLOOGJTQLR-UHFFFAOYSA-N 464.595 2.365 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCSc1ccc(C)cc1 1722398052 WLLRAMOIPOJBSQ-OAQYLSRUSA-N 487.651 2.175 30 10 JEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@H](C)CNC(=O)OC(C)(C)C 1722446558 DBYNHVIVVGEOMJ-MRXNPFEDSA-N 474.562 2.253 30 10 JEEE C#CCSCCn1c(COc2ccccc2OCC)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1722463673 JNQAAKXQIKTJGK-UHFFFAOYSA-N 498.609 2.143 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccc(C)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1722500664 COWGYYYZKLRFLN-DENIHFKCSA-N 475.615 2.228 30 10 JEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)c1cc(OC)cc(OC)c1 1722619015 YDDYUZMQSUMILO-LJQANCHMSA-N 465.576 2.362 30 10 JEEE C=CCCOCCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1722627049 IVWSYGJMQZDBJI-FQEVSTJZSA-N 455.559 2.433 30 10 JEEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1722700114 XEBAFLJFJVHWSW-MRXNPFEDSA-N 455.513 2.252 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCCN(C(=O)CC2CCCC2)CC1 1722728129 OHYBVKZCDZZUGA-NRFANRHFSA-N 493.674 2.392 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1722729867 ZFZRGPOMSGUACI-SFHVURJKSA-N 492.989 2.392 30 10 JEEE CC(=O)N1CCN(CCn2c(Cc3csc(C)n3)nnc2N(C)Cc2ccc(C#N)cc2)CC1 1722796156 HZWQETDILKBXSL-UHFFFAOYSA-N 478.626 2.306 30 10 JEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1740566076 CBBRKNCMRSHFPK-CVEARBPZSA-N 452.606 2.035 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCc1cccnc1)[C@H]1CCS(=O)(=O)C1 1740624179 DGBMGAHPRRJVPG-NRFANRHFSA-N 453.543 2.272 30 10 JEEE C#CCN(c1nnc(COc2ccccc2OC)n1Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 1740628824 UUVVHUWXJVFVLV-QGZVFWFLSA-N 456.524 2.134 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1C(F)(F)F 1740671508 IXOLUDVIHFKHBK-KRWDZBQOSA-N 471.505 2.138 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2ccc(OC(F)(F)F)cc2)CC1 1740694486 LBXSSHIQNHWUER-SFHVURJKSA-N 462.476 2.126 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2CC2(C(=O)NCC)CCC2)CC1 1740707121 PPGNBLDTQSUVLE-UHFFFAOYSA-N 498.578 2.419 30 10 JEEE C=C(Br)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1740744421 ATBMJUIIDLFTCT-YOEHRIQHSA-N 498.403 2.217 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@@H](CNC(C)=O)C2)cc1 1740967231 AHTKABDDOHIERG-LEWJYISDSA-N 487.626 2.146 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCCO[C@H](c2ccccc2)C1 1740986053 QZBTVQXTTOETMH-FQEVSTJZSA-N 473.599 2.083 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CC1(c2ccc(F)cc2)CC1 1741922103 FHCKFTUQBIYPJB-VLIAUNLRSA-N 450.515 2.201 30 10 JEEE CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCCO2)CC1 1743906137 HNARMCNFSRNZMG-KNQAVFIVSA-N 465.602 2.423 30 10 JEEE COC(=O)N1CCC(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(NC(C)=O)CC2)CC1 1748337612 GEGRYFZPHVYAGT-UHFFFAOYSA-N 465.558 2.400 30 10 JEEE C#CCCCCn1c(-c2cc(Br)cn2C)nnc1N1CCC(NS(C)(=O)=O)CC1 1748701436 JKNZBIFWWIOTEE-UHFFFAOYSA-N 483.436 2.368 30 10 JEEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(c2ncccn2)CC1 1748703417 PETGWJHHPSHDCI-UHFFFAOYSA-N 465.583 2.269 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H](C)Oc1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 1748812406 VFKRCKDUNXGHEG-RBUKOAKNSA-N 466.567 2.138 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCCS(=O)(=O)Cc2ccccc2)CC1 1749018826 GGNUOCFFUSOKGO-JOCHJYFZSA-N 499.637 2.101 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@](C)(O)CC)CC1 1749019559 ZHPPTFIPRSHQTP-UQBPGWFLSA-N 488.633 2.477 30 10 JEEE C#CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(C(C)=O)C[C@H]1C 1749032474 IUCSQXCJDHNVKL-QGZVFWFLSA-N 479.610 2.098 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCN2CCCC[C@@H]2C)CC1 1749342730 MWYTYHPILRJCEU-FPOVZHCZSA-N 480.679 2.278 30 10 JEEE C=CCCCn1c(CCc2ccccc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1749433621 POQACQKOHYXREG-UHFFFAOYSA-N 450.587 2.301 30 10 JEEE C=CCN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCS(=O)(=O)N(C)C)C1CC1 1749527915 WFJFMEIVNJKJRF-KRWDZBQOSA-N 468.624 2.396 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1749680867 UDFPUHHSGVGOCZ-UHFFFAOYSA-N 485.564 2.026 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1749737016 WGLLTLXPCHYALB-GOSISDBHSA-N 477.606 2.302 30 10 JEEE COCCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1Cc1cc(Br)cs1 1749830191 GFKAISJEISGQFH-CQSZACIVSA-N 453.366 2.468 30 10 JEEE CC(C)NC(=O)Cn1c(Cc2cccnc2)nnc1N1CCCN(c2ccccc2C#N)CC1 1750994673 FSISBORJBBGEBM-UHFFFAOYSA-N 458.570 2.377 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CCc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1760189985 NANWQFCJCOJPMW-OAQYLSRUSA-N 453.543 2.272 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCCc1cnn(C)n1 1760208469 DBFFRAMIHBEJNG-UHFFFAOYSA-N 464.961 2.086 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2Cc2c(Cl)cccc2OC)CC1 1760270861 CSUZWRJKKOCJRH-UHFFFAOYSA-N 484.988 2.077 30 10 JEEE C=C(Br)Cn1c(N2CCCC[C@H](S(C)(=O)=O)C2)nnc1[C@]1(OCC)CCOC1 1760313448 ARLWCMKMXMTOKZ-YJBOKZPZSA-N 477.425 2.242 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@H](C)[C@@H]1CC 1760553919 LVSRKDDQNLLOJR-WMZOPIPTSA-N 480.660 2.464 30 10 JEEE CC[C@@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CC1CCN(CCN(C)C)CC1 1763740405 CJKXOZOPSHDVQT-HXUWFJFHSA-N 496.708 2.305 30 10 JEEE CCCCCCCCNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@H]1CC(=O)N(c2ccccc2C(=O)OC)C1 1861606415 FLSASXWEZUYSCE-JQVVWYNYSA-N 487.597 2.265 30 10 JEEE COc1ccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2CCNC(C)=O)cc1O 1862754652 OZVZRORSFFZULC-LJQANCHMSA-N 455.423 2.023 30 10 JEEE C=CCNS(=O)(=O)c1ccc2nc(NC(=O)CCCN3C(=O)c4cccnc4C3=O)sc2c1 1866242272 RAKAAZHFHWFEHG-UHFFFAOYSA-N 485.547 2.171 30 10 JEEE CCCn1cc(OCC(=O)Nc2sc3c(c2C#N)CCC3)c(=O)cc1CN1CCN(C(C)=O)CC1 1870324212 ZPEJRACIHUSFFR-UHFFFAOYSA-N 497.621 2.362 30 10 JEEE C=CCN(CC=C)C(=O)c1cc2c(N3CCN(CCO)CC3)ncnc2n1Cc1ccccc1 1873555661 GXAVKSXKJFWBTA-UHFFFAOYSA-N 460.582 2.408 30 10 JEEE CCCCCOc1ccc(/C=N/n2c(CNC(C)=O)nnc2SCC(N)=O)cc1OCC 1874432504 JMDFSYCVJRXGPM-WYMPLXKRSA-N 462.576 2.342 30 10 JEEE CC(C)N1C(=O)CS[C@@H](C(=O)NCCn2nc(C(F)(F)F)ccc2=O)[C@H]1c1ccc(C#N)cc1 1889415920 CSHOCAKLYAEOIY-WOJBJXKFSA-N 493.511 2.344 30 10 JEEE CN1CCN(CC#CCOC2CCN(C(=O)Cc3ccc(OC(F)(F)F)cc3)CC2)CC1 1889449658 AQGLFWFRGONCQH-UHFFFAOYSA-N 453.505 2.386 30 10 JEEE CCN1CCN(CC#CCOC2CCN(C(=O)[C@H]3CC(=O)N(c4ccc(C)c(C)c4)C3)CC2)CC1 1889552206 KYUPAGDCVBJPOB-DEOSSOPVSA-N 480.653 2.305 30 10 JEEE COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(OCC#CCN2CCN(C(C)C)CC2)CC1 1891098560 SYOMCYBWDTZILT-UHFFFAOYSA-N 458.559 2.254 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)O1 2193845519 KQXBDAQDIBOGGV-JKSUJKDBSA-N 462.356 2.177 30 10 JEEE CC1(C)OB(c2sc(S(=O)(=O)N(CC(N)=O)Cc3ccccc3)cc2Cl)OC1(C)C 2247875708 AWQBMABANJIZFT-UHFFFAOYSA-N 470.809 2.377 30 10 JEEE C=C(CS(=O)(=O)N1C[C@@H](C)CC[C@@H]1CNC(=O)C(F)(F)F)B1OC(C)(C)C(C)(C)O1 2255794393 LCYPFNJMARYYNO-GXTWGEPZSA-N 454.320 2.283 30 10 JEEE Cc1nc(S(=O)(=O)N(Cc2ccccc2)CC(F)F)c(B2OC(C)(C)C(C)(C)O2)n1C 2255799578 KQOLERBLXSAONH-UHFFFAOYSA-N 455.336 2.484 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CO)CNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2255957239 NGHOPOKMVVIGLK-CQSZACIVSA-N 454.760 2.255 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(CNC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)O)s1 2256626039 FICITOZCQJKFQF-BBRMVZONSA-N 454.398 2.246 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CC[S@](=O)(=NC(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)C1 2266998520 RLWFYRJSERGVSB-BAJJSZBSSA-N 465.381 2.286 30 10 JEEE CC(C)(C)OC(=O)N[C@@]12C[C@H]1CN(S(=O)(=O)c1cccc(B3OC(C)(C)C(C)(C)O3)c1)C2 2267378234 NPKMIHBBJKJBDB-OYHNWAKOSA-N 464.393 2.274 30 10 JEEE Cc1sc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)c(B2OC(C)(C)C(C)(C)O2)c1C 2267564563 ILMIDZHIYXANNE-HUUCEWRRSA-N 466.409 2.374 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@@H]2NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2267712368 DRIDWGKOXFYILL-FHLIZLRMSA-N 464.393 2.272 30 10 JEEE CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2268633190 QVNGSIUOMPHCHS-LLVKDONJSA-N 474.339 2.090 30 10 JEEE CC(C)(C)OC(=O)N[C@H](C1CC1)C(F)(F)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2268645994 XAWFEGDAKDEPRV-LLVKDONJSA-N 474.339 2.136 30 10 JEEE CC(C)(C)OC(=O)NCC1(O)CC(C(=O)NCc2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2268653304 LTSXULBTENGVBN-UHFFFAOYSA-N 466.409 2.329 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@]12COCCN(C(=O)[C@H]1C[C@@H]1B1OC(C)(C)C(C)(C)O1)C2 2281928310 LKRBRPJHUIKZMT-QQMNAOGKSA-N 466.384 2.334 30 10 JEEE C[C@H](O)CN(CCNC(=O)c1cc(F)ccc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2282399091 JBSPVXUVESSWJJ-HNNXBMFYSA-N 466.359 2.473 30 10 JEEE COCC1(NC(=O)c2cccc(F)c2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2282405649 YXSNNAWKYQMPPD-UHFFFAOYSA-N 464.343 2.491 30 10 JEEE CCO[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1NC(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1 2282519799 MKCDBABABWCKRX-KURKYZTESA-N 461.368 2.181 30 10 JEEE C[C@@H](NC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 2282546911 NGMXZIATUBOFLF-CVEARBPZSA-N 462.400 2.485 30 10 JEEE CN(CC1CCN(C(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)CC1)C(=O)OC(C)(C)C 2282551085 HDMQZTXCIOCMNA-UHFFFAOYSA-N 462.400 2.438 30 10 JEEE COC(=O)[C@H](CCNC(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)o1)NC(=O)OC(C)(C)C 2282583523 KUYHUSKJRAULOB-AWEZNQCLSA-N 466.340 2.073 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC2CC3(C2)CN(C(=O)OC(C)(C)C)C3)n1 2282589423 NRNCEOVZIMAUBX-UHFFFAOYSA-N 460.384 2.332 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C(F)(F)C1 2282612884 WOEQQHRBPFXSNG-AWEZNQCLSA-N 468.310 2.150 30 10 JEEE CN(Cc1ccccc1)[C@@]1(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cn2C)CCOC1 2282688114 PAQNLLYTSIMRCA-RUZDIDTESA-N 453.392 2.345 30 10 JEEE CC1(C)OB(c2ccc(S(=O)(=O)NCCN3CCN(Cc4ccccc4)CC3)s2)OC1(C)C 2282861368 NENJEEUEOLNJDX-UHFFFAOYSA-N 491.488 2.143 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H]2[C@H](C1)[C@@H]2CNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2283055247 FSVNFZFSCOXTLW-OAGGEKHMSA-N 458.368 2.009 30 10 JEEE CN(C)CCCN1C(=O)C(=O)C(=C(O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@H]1c1ccccc1 2296583748 DRUSCAPQMCEMAC-OAQYLSRUSA-N 471.579 2.310 30 10 JEEE COc1cccc([C@@H]2C(=C(O)c3cnc(C)nc3C)C(=O)C(=O)N2CCCN(C)C)c1OC 2296608944 OXPLELKPICGQFK-HXUWFJFHSA-N 454.527 2.484 30 10 JEEE COc1ccc(OC)c([C@@H]2C(=C(O)c3ccco3)C(=O)C(=O)N2CCCN2CCOCC2)c1 2296936395 PZYOVKDFKDVGPU-OAQYLSRUSA-N 456.495 2.441 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(C)CCN(C)C(=O)OCc2ccccc2)n1C 2315631281 RWROZXGGYOSBSU-UHFFFAOYSA-N 470.379 2.368 30 10 JEEE CCOc1c(C=Nn2c(CNC(C)=O)nnc2SCC(=O)N(CC)CC)cccc1OC 2330717998 ZZGPCWQTIHNOQS-UHFFFAOYSA-N 462.576 2.164 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](NC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)CCO1 2337340718 JLWOLYDTNRHANU-KGLIPLIRSA-N 467.397 2.244 30 10 JEEE Cc1scc(C(=O)N2C[C@@H](O)C[C@@H]2CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2343500836 WBULSOABNWBTOB-CABCVRRESA-N 466.409 2.456 30 10 JEEE Cc1ccc(S(=O)(=O)N/N=C/c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] 9630829 JHBGPOHSGXAKOF-GIJQJNRQSA-N 477.484 2.404 30 10 JEEE C=CCN1C(=O)/C(=c2\sc3nc(=O)c(-c4ccccc4)nn3c2=O)c2cc(Br)ccc21 34989049 WGLNCAIHWXOTDC-VLGSPTGOSA-N 493.342 2.391 30 10 JEEE N#C[C@H]1C(=O)Nc2nc(N3CCC4(CC3)OCCO4)[nH]c(=O)c2[C@@H]1c1c(F)cccc1Cl 72444281 PNHDBECWMOCEBC-RISCZKNCSA-N 459.865 2.129 30 10 JEEE COc1cccc([C@@H]2/C(=C(/O)c3ccc(OC)c(OC)c3)C(=O)C(=O)N2CCN2CCOCC2)c1 102502911 LULGIUARFHNSQP-UGUGFTGJSA-N 482.533 2.466 30 10 JEEE C=CCN(CCCn1c(=O)c2c(ncn2C)n(C)c1=O)Cc1cc(Br)ccc1F 502159821 TUKRMIJTHFMEGA-UHFFFAOYSA-N 464.339 2.414 30 10 JEEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2csc(-c3cccc(Br)c3)n2)CC1 520778001 RZEAZUABMOEUDF-UHFFFAOYSA-N 485.429 2.181 30 10 JEEE C=CCNC(=O)CN1CCN(C(=O)c2cccc(NC(=O)c3ccc(Br)o3)c2)CC1 611792070 NMSKLKLEKUQDOM-UHFFFAOYSA-N 475.343 2.354 30 10 JEEE C#CCN(C(=O)c1cccc(NS(=O)(=O)c2ccc(C)c(F)c2)c1)[C@H]1CCS(=O)(=O)C1 729330406 CQLIIDUCNIMAFD-SFHVURJKSA-N 464.540 2.197 30 10 JEEE COc1ccc(NC(=O)CSc2nnc(NN=Cc3ccccc3[N+](=O)[O-])n2N)c(OC)c1 1084408104 SAULHLZHKTUOPG-UHFFFAOYSA-N 472.487 2.094 30 10 JEEE COc1ccc(OC)c(NC(=O)CSc2nnc(NN=Cc3ccc([N+](=O)[O-])cc3)n2N)c1 1084541833 MFGNCWUCVYZNOU-UHFFFAOYSA-N 472.487 2.094 30 10 JEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H]1CCO[C@H](c2cnn(C)c2)C1 1141473149 BCRUSQQMJFCTNG-NEWSRXKRSA-N 459.572 2.054 30 10 JEEE C#CCN(C(=O)CNC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H]1CCS(=O)(=O)C1 1142046912 QMFSWOSEHXTXLH-QGZVFWFLSA-N 452.532 2.174 30 10 JEEE N#Cc1ccc(OC2CCC(NS(=O)(=O)CCNC(=O)OCc3ccccc3)CC2)nc1 1210971037 FOPFJJVSWVFFHJ-UHFFFAOYSA-N 458.540 2.489 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H]1CCCS1)[C@@H]1CCS(=O)(=O)C1 1286382431 JFSQBPCLTRDJCZ-YLJYHZDGSA-N 476.624 2.485 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1CCCN(C)c1ccccc1F)[C@H]1CCS(=O)(=O)C1 1286396832 WQDJPJKYHZYOPI-OALUTQOASA-N 475.590 2.074 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(S(C)(=O)=O)CCCC1 1286438507 XWGCTVQIVWCDCP-UHFFFAOYSA-N 493.655 2.012 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCNC(=O)OC(C)(C)C)CC1 1286474162 CRLOSUYPTMLCQE-UHFFFAOYSA-N 470.574 2.242 30 10 JEEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2oc(C3CC3)nc2C#N)CC1 1286530035 DTJOUMXWIHZIAZ-UHFFFAOYSA-N 489.378 2.389 30 10 JEEE C=CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCn2nc(C)nc2C1 1286683900 BHWBINQXETVOLC-UHFFFAOYSA-N 470.603 2.472 30 10 JEEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1286776267 NTNWZQBIEGGKPJ-HUUCEWRRSA-N 488.511 2.277 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(C(C)=O)C[C@H]1C 1286818339 VXXKLSYTJVXXIW-NQIIRXRSSA-N 459.616 2.478 30 10 JEEE C[C@H](Oc1ccccc1F)c1nnc(N(C)[C@@H](C)CC#N)n1CCN1CCCS1(=O)=O 1288948307 FHSKSTUZRVCYGW-HOTGVXAUSA-N 450.540 2.331 30 10 JEEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1c(C)nn(C)c1C 1300317150 KXRGZIPQIBMEOT-FQEVSTJZSA-N 460.630 2.499 30 10 JEEE C#CCN(CC#CC)c1nnc(COc2cc(C)cc(C)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1300591580 UDCZZMOYSHBYMU-NRFANRHFSA-N 469.611 2.218 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCCCCN2CCCCC2)CC1 1300727160 USOBNVLBCBDPGJ-JOCHJYFZSA-N 456.635 2.404 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2CCC(OC)CC2)CC1 1300729401 YKPBYESSWSTWNQ-UHFFFAOYSA-N 467.618 2.311 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1300895489 ABJCFLVMYHYPND-GCJKJVERSA-N 493.605 2.446 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc2ccccc2s1 1301967352 BYVCATJJAVRHCL-YJBOKZPZSA-N 474.612 2.470 30 10 JEEE C#CCOc1cccc(NC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)c1 1310303316 TUSLRYFBGZGMOI-UHFFFAOYSA-N 457.508 2.008 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cccnc1OC 1358890198 MIZNPNCNBQFPCQ-SJLPKXTDSA-N 456.547 2.496 30 10 JEEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1358930602 YPOKVGDVDJKELX-BBWFWOEESA-N 461.519 2.114 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCCCN1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1358960387 DAZVMDSWRKKPSU-HXUWFJFHSA-N 458.632 2.412 30 10 JEEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@]1(N(C)C)CCSC1 1358993617 SCXVYQCIXYGBBF-RUZDIDTESA-N 478.670 2.352 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCc2nnc(C)s2)CC1 1359042411 FNKANQBMPBJVDL-UHFFFAOYSA-N 495.609 2.331 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3CC)n2CC2([S@@](C)=O)CC2)CC1 1359047909 YGFCHQSXBDHVBQ-UUWRZZSWSA-N 483.638 2.296 30 10 JEEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1359059820 BDKWDZBXMIUWCU-UHFFFAOYSA-N 483.564 2.401 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1359092189 YBNLXTLWKAIMHK-PZJWPPBQSA-N 496.616 2.490 30 10 JEEE C=C(Cl)Cn1c(N2C[C@H](C(=O)NCCOC)CC[C@H]2C)nnc1[C@@]1(OCC)CCOC1 1359156674 MVCCFGVKDJAGBW-CBGDNZLLSA-N 455.987 2.050 30 10 JEEE C=CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(CCC(=O)N2)C1)c1ccccc1 1359194172 QIFOLWJDXWIWLR-GEQKSPFYSA-N 472.615 2.107 30 10 JEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](Cc2ccccc2)C1 1359203414 OUGQDXWYFWNHQX-YADHBBJMSA-N 489.642 2.415 30 10 JEEE C=CCCOCCn1c([C@H]2CCCO2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1359229497 KSFREPZPEMUGQD-CEMLEFRQSA-N 460.623 2.101 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(C)COCCO1 1359275146 LSXOXWJYQWMCFN-NFBKMPQASA-N 460.600 2.221 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CCOC2(CCOCC2)C1 1359297307 MICATWRRIJLQLW-UHFFFAOYSA-N 476.375 2.396 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Br)cc2)nnc1N1CCC(C(=O)OC)CC1 1359304524 ZVZKPLXXOSKFLF-UHFFFAOYSA-N 492.374 2.311 30 10 JEEE CCN(CC)[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1501805740 FHRZISQRPIYSRN-IBGZPJMESA-N 491.600 2.046 30 10 JEEE C#CCN(c1nnc(C2(c3ccccc3)CCC2)n1CC(C)(C)C(=O)NC)[C@H]1CCS(=O)(=O)C1 1507628562 XHDUACSYIQOXEX-FQEVSTJZSA-N 483.638 2.147 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1Cc1cccc(OCC)c1)[C@@H]1CCS(=O)(=O)C1 1507630463 ZLZCRIBZRQHYRG-LJQANCHMSA-N 453.568 2.357 30 10 JEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1C[C@](C)(O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1507634694 LKDFOTQCPGAXNI-YKSBVNFPSA-N 474.627 2.106 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2Cc2conc2COC)CC1 1507740407 SJXOXHPGFFGAOJ-UHFFFAOYSA-N 454.556 2.079 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)C1CCCC1 1507797531 LWRCWROFQXHIAJ-HOJAQTOUSA-N 467.636 2.361 30 10 JEEE C=C(C)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CCO[C@@H](C(=O)NC)C1 1507824688 FKKCIBHKZOMWFN-MRXNPFEDSA-N 450.337 2.244 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)NC(C)C)n1C[C@H]1CCCS(=O)(=O)C1 1507996143 GRDNOXCHZSTLSU-HXUWFJFHSA-N 470.599 2.305 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@H](NC(=O)CC)C2)cc1 1508100944 ROAMHBGZTLFKFU-UXHICEINSA-N 487.626 2.288 30 10 JEEE CC(C)(C)Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@H]1CCCN1CCCO 1508583972 GJIXQGCABMLXKI-NRFANRHFSA-N 466.634 2.307 30 10 JEEE CC[C@@H](C)N(C)CCn1c(Cc2cccnc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1513150648 BAEJNEVSNXSLRP-LJQANCHMSA-N 476.633 2.234 30 10 JEEE CCNC(=O)C(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1515962998 DSVHIQDPURSLJK-LJQANCHMSA-N 484.626 2.383 30 10 JEEE COC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2c(C)nn(C)c2C)CC1 1517720382 GAWAURFDGXCSFY-UHFFFAOYSA-N 464.530 2.016 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCNC(=O)c1ccccc1F 1539010717 BUVBLRWEKWSLJG-SFHVURJKSA-N 476.560 2.479 30 10 JEEE C#CCCCn1c([C@H]2CCCOC2)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1539119104 HKRFMDBXVSXJBV-SFHVURJKSA-N 461.563 2.236 30 10 JEEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1539120210 SKBKBWDFGUEWFU-QZTJIDSGSA-N 459.620 2.123 30 10 JEEE C#CCN(c1nnc(-c2ccccc2)n1CCCOCC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1539210064 AMUORKGVORYQOO-QFIPXVFZSA-N 472.611 2.405 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCNC(=O)C(C)(C)C)CC1 1539429773 CRXXCXXFFBKOTC-SFHVURJKSA-N 456.566 2.475 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2Cc2ccc(NC(C)=O)cc2)CC1 1539475440 GKEVZJCANRLOBC-UHFFFAOYSA-N 457.538 2.313 30 10 JEEE C#CCSCCn1c(-c2ccc(OC)cc2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1539505344 AUFOJBFPLCFWCA-XXBNENTESA-N 482.654 2.309 30 10 JEEE C#CCSCCn1c(CC2CC2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 1539524696 NESBMIBESRKBJQ-CTNGQTDRSA-N 458.676 2.414 30 10 JEEE C=C(Br)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1539587179 XPLUGUBNZKCRLP-UHFFFAOYSA-N 480.798 2.303 30 10 JEEE C=C(Br)Cn1c(COCC)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1539608955 HTOYCJDIVWGOPD-UHFFFAOYSA-N 450.337 2.391 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)CCCC 1539632904 VQKZIDPCPYXBGB-QYZOEREBSA-N 455.625 2.219 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(F)cc2Br)nnc1N1C[C@@H](COC)O[C@H](C)C1 1540866560 RPWYNVKHNJNBEE-HIFRSBDPSA-N 482.354 2.389 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1540867106 KVRBZCHGFVKYOI-FPOVZHCZSA-N 466.586 2.387 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCN(CC(F)(F)F)C2)C1 1540881529 LQTDYRNBTSBSOT-SJORKVTESA-N 456.513 2.180 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1c(F)cccc1N1CCCC1 1541907814 FMDWAEAWZWHYSU-JKSUJKDBSA-N 463.583 2.414 30 10 JEEE C[C@@H](Oc1ccccc1F)c1nnc(N2CCO[C@H](C#N)C2)n1CCN1CCOC(C)(C)C1 1541984888 FILXNBLAXRARTF-QZTJIDSGSA-N 458.538 2.397 30 10 JEEE COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCOc2ccccc21 1555557874 FLFUDSOWTPBZIE-ZWKOTPCHSA-N 459.572 2.113 30 10 JEEE CC[C@@H](C)[C@@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)C(=O)NCC1(C#N)CC1 1556392676 CSSJMHDXNQCFQA-CXAGYDPISA-N 454.980 2.155 30 10 JEEE N#Cc1ccc(CN2CCCN(S(=O)(=O)c3ccc(Cl)c(-c4nn[nH]n4)c3)CC2)cc1 1561094162 BCHURDITCBGAOV-UHFFFAOYSA-N 457.947 2.288 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@@H](CC)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1588064784 PEUVGMYZIGXXHO-UXHICEINSA-N 476.672 2.135 30 10 JEEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](OC)C(C)(C)C 1588628065 DLFULNMFYFPWKA-SFHVURJKSA-N 462.620 2.385 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@]2(O)CCO[C@@H]2C)CC1 1588907741 FJMWTROYOXOPAQ-IQMFZBJNSA-N 475.952 2.243 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccnc(N2CCCCC2)c1 1589149797 ABDGLDDHKTXPRA-FDDCHVKYSA-N 471.631 2.314 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)CC)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1589492992 FDTREAHNWHREOE-HBFSDRIKSA-N 478.619 2.413 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1-n1cccn1 1589663392 MNXLIKCTRRPAQG-NRFANRHFSA-N 485.614 2.247 30 10 JEEE C=C(C)COCCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@H](C(N)=O)C1 1593703118 DRQRXQYPXNQFQA-AWEZNQCLSA-N 451.369 2.341 30 10 JEEE C=CCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1594687343 NQUBDJHWFGBRCO-UHFFFAOYSA-N 476.585 2.475 30 10 JEEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](Nc2cc(OC)cc(OC)c2)C1 1595405606 TZDIIHBCGLIWRX-IAGOWNOFSA-N 461.588 2.464 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC(NC(=O)c2ccc(F)cc2)CC1 1595545249 SVGPHEIEQBJIFR-HXUWFJFHSA-N 470.549 2.360 30 10 JEEE C=CCOc1ccccc1Cn1c(N2CCN(C(=O)NC)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1595664832 LCPPQHWWPWBLCB-RUZDIDTESA-N 484.601 2.393 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](C[C@H]2CCOC2)C1 1595761293 ZGOFSZJNBRBUGB-RTBURBONSA-N 488.614 2.169 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1595831765 VQEXIWKNZZAQDR-FGTMMUONSA-N 483.635 2.470 30 10 JEEE CC(=O)N1CCC[C@H](Cn2c(-c3csc(N4CCOCC4)n3)nnc2N(C)[C@@H](C)CC#N)C1 1596062950 CZMOTQPQMITYNZ-WMZOPIPTSA-N 472.619 2.235 30 10 JEEE COc1ccc(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)cc1F 1619250439 GJGAKOUAAZTLLT-QRWLVFNGSA-N 451.499 2.013 30 10 JEEE N#Cc1ccc(OCc2nnc(N3CCC(F)(F)C3)n2C[C@H]2CCCS(=O)(=O)C2)cc1 1620351731 FDLBPTAUQTWWHR-MRXNPFEDSA-N 451.499 2.399 30 10 JEEE C#C[C@H](NC(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1)c1ccc(Cl)cc1F 1623825784 PFGJTXGWCTWBCI-SFHVURJKSA-N 451.907 2.067 30 10 JEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCC[C@@H](NC(=O)N(C)C)C1 1626285915 AVAZVKQGYGRFAM-CQSZACIVSA-N 453.337 2.360 30 10 JEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H](C)Cn2ncc3ccccc3c2=O)cc1 1673394259 ZNTVNSSUXVZQIX-INIZCTEOSA-N 455.540 2.413 30 10 JEEE C#CCN(C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1689955385 FKESNJSYPIASEO-YLJYHZDGSA-N 473.599 2.236 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@H](C)N(C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1689992966 RTUOAYGGPUNLLR-REWPJTCUSA-N 478.622 2.416 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C 1690077597 RYMLBZKRHAZQMC-IAGOWNOFSA-N 453.609 2.189 30 10 JEEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1690131137 UKGDAKUFJXVXGX-QHCPKHFHSA-N 464.614 2.086 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1690155042 DDTQBBGZXRJCON-HJPURHCSSA-N 483.598 2.395 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCN2CCCO[C@H](C)C2)CC1 1690411175 GRRMSRBIFWQDEJ-UYAOXDASSA-N 451.637 2.084 30 10 JEEE C=CCCOCCn1c(-c2cccnc2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1690506591 SUALSFSEUVNMNR-UHFFFAOYSA-N 453.591 2.067 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CCCCS1(=O)=O 1690603795 IHBZLVILCROPEZ-WOJBJXKFSA-N 457.600 2.432 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1690664212 LGGQUWBHHFEIJK-RBBKRZOGSA-N 452.603 2.357 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCS(C)(=O)=O 1691009897 AFIQOVGTFZSBBI-CVEARBPZSA-N 454.597 2.381 30 10 JEEE CC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CC2)C[C@H](C)O1 1694965814 AAGMDGCDSSYNBD-FUHWJXTLSA-N 459.572 2.310 30 10 JEEE COc1ccc(OC)c(CCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@H](C)C#N)c1 1697473280 DWCVBFNTMWXQFB-SJLPKXTDSA-N 461.588 2.426 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCOC2)c1 1705507686 IPCPIRGCOZRVMG-GOSISDBHSA-N 478.578 2.362 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCC(=O)NC1CCCCC1)[C@H]1CCS(=O)(=O)C1 1705559969 CIGJHCYMULBBLF-NRFANRHFSA-N 499.637 2.419 30 10 JEEE C=CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@H]1CCCCS1(=O)=O 1705846562 KIUGGSWTSPWEIX-QFIPXVFZSA-N 472.659 2.232 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@]1(O)CCO[C@@H]1C 1705886101 SCHYAAYMLVLVIU-ZHSNQQFMSA-N 465.595 2.228 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CC[C@@](O)(c2ccc(F)cc2)C1 1705931842 CGOIIHGLKUGPDU-QFIPXVFZSA-N 459.547 2.121 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCC[C@H](C(=O)NC)C2)nnc1C1(c2ccccc2)CCC1 1705939076 RGOGXFGLZHKSOZ-IBGZPJMESA-N 471.627 2.311 30 10 JEEE C[C@@H](C(=O)N1CCCC1)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(C)(C)O)CC1 1706080445 DYMUVLLBRABULJ-FQEVSTJZSA-N 495.628 2.023 30 10 JEEE CC(C)C(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCN2CCCO)CC1 1706222448 ARVABFUTAZFXIT-HSZRJFAPSA-N 479.629 2.405 30 10 JEEE Cc1ccc(-c2nc(Cn3c([C@@H]4CN(S(C)(=O)=O)CCO4)nnc3N(C)C[C@@H](C)C#N)co2)cc1 1707340224 BDLXMPDFGONYJS-PXNSSMCTSA-N 499.597 2.219 30 10 JEEE CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@](C)(O)C2CC2)CC1 1708632795 DCXRZGMFNASBSP-AVRWGWEMSA-N 465.602 2.014 30 10 JEEE CCCOc1ncccc1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1 1709869570 BRIYMSISSXVDHL-UHFFFAOYSA-N 475.553 2.344 30 10 JEEE COC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1711491068 FPWFROKYPOHPQF-IBGZPJMESA-N 488.614 2.158 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC(C)(C)N1CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1722361667 OEFDWDROCSEMBM-OALUTQOASA-N 458.632 2.410 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCN1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1722363908 CMRJOXHTSLMZRH-QFIPXVFZSA-N 473.618 2.367 30 10 JEEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(OCCN(C)C)cc1 1722433269 YUBSWSQIFWNVQV-UHFFFAOYSA-N 450.543 2.454 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CCc2ccc(OCC(F)(F)F)nc2)CC1 1722447305 KZPCXULGXYPLEX-UHFFFAOYSA-N 464.492 2.385 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CCCCN2CCOCC2)CC1 1722449661 XBWMVRRXUBRRBH-UHFFFAOYSA-N 482.604 2.086 30 10 JEEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1722453842 DRKDTZBWYTUMOR-GCJKJVERSA-N 497.625 2.209 30 10 JEEE C=C1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCCNS(=O)(=O)CC)CC1 1722567606 DVGSUDCVBLETGK-SFHVURJKSA-N 498.650 2.072 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CCN(C2CC2)C(=O)C1 1722694422 VIZLUUZWKHJNLI-UHFFFAOYSA-N 493.793 2.474 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C2CC2)C1 1722700338 FQXLHCXEADGRHC-VQTJNVASSA-N 481.601 2.306 30 10 JEEE CC1CCN(CCCn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@H](C#N)C2)CC1 1726630461 FEURLBBTCCFFLS-GOSISDBHSA-N 457.604 2.120 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(OCC(C)C)c1 1740549260 DSRCILSZAGOCGA-GHTZIAJQSA-N 475.615 2.152 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CC[C@@H](C)C2)c1 1740562573 PCYRQAHXGAJFNF-ZIFCJYIRSA-N 472.615 2.381 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2C[C@@H]2CCOC[C@@H]2OC)c1 1740564813 YIVLWGSJYXGQQZ-GMAHTHKFSA-N 474.565 2.372 30 10 JEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)c1cc(OC)cc(OC)c1 1740574038 JISNRKMEALRYCH-FQEVSTJZSA-N 477.587 2.200 30 10 JEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)c2ccc(F)cc2)CC1 1740590112 FLPFRYFXTBRVBR-SFHVURJKSA-N 473.574 2.132 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@H](C)CN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1740619836 LQMQNVQXOJWYDV-TZIWHRDSSA-N 471.627 2.312 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1740756208 OOCZVTLPDXBKKJ-BJLQDIEVSA-N 460.966 2.316 30 10 JEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](Cc2ccccc2)C1 1740887958 NFZLAUMQDNKYAH-SFTDATJTSA-N 460.600 2.221 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC(C)(C)C)nc1 1740932078 GNBXKAFBGYEJIJ-LJQANCHMSA-N 490.630 2.410 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1740963189 CMQGGNZNHSAAQL-LJQANCHMSA-N 494.600 2.351 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1740963669 SXPHONYEBFGMKO-MRXNPFEDSA-N 477.491 2.104 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(OC)cc2F)C1 1740980968 NFHBYZXDKHGBKZ-FUHWJXTLSA-N 450.536 2.158 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCc2ccccc2F)C1 1740982931 YOLSOAWIPNCLMC-FPOVZHCZSA-N 493.605 2.164 30 10 JEEE C[C@H]1CCCCN1C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)N(C)C)CC1 1741838982 BYYIALPPXJJOMO-LEWJYISDSA-N 478.645 2.290 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1CC1(NC(=O)OC(C)(C)C)COC1 1748657530 CWILRQULVFASQX-HNNXBMFYSA-N 455.515 2.425 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 1748804928 MNYPCDUVWTVILC-QPPBQGQZSA-N 472.611 2.302 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H]2CCN(CC)C2)CC1 1749006026 GGNIFKACAZOVLI-IBGZPJMESA-N 480.613 2.270 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4ccccc4n3)n2C[C@H](F)COC)CC1 1749011221 ZVLZSVYUAYYMBU-IBGZPJMESA-N 450.518 2.444 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1749067576 UWOAOZAVRYMOFS-GPMSIDNRSA-N 459.538 2.057 30 10 JEEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2ccc(OC)cc2C1 1749085787 FKLRHUBFLFZQNG-ZDUSSCGKSA-N 470.393 2.368 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(c2cc(C)nc(C(C)C)n2)CC1 1749730009 WTFGBTLMRMVIFB-UHFFFAOYSA-N 496.641 2.489 30 10 JEEE C=CCSCCn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1749751970 GHDQKRLLYCGRFK-QGZVFWFLSA-N 450.634 2.333 30 10 JEEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)N2CCOCC2)C[C@@H]1C 1749873232 DBRBDVCXUUMYBX-FQEVSTJZSA-N 467.618 2.084 30 10 JEEE C[C@@H]1COCCN1CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1752424857 GJVDPVBKRXJYRO-LJQANCHMSA-N 465.602 2.232 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1ccc(C(N)=O)nc1 1760112821 MPRUUCVEALXQND-AEFFLSMTSA-N 467.574 2.393 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(C)oc2ccccc12 1760117445 PBUFCPMNQBNBDT-FOIQADDNSA-N 457.556 2.172 30 10 JEEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1760144055 BLQSQLXIHTWIFX-UHFFFAOYSA-N 463.464 2.234 30 10 JEEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 1760144076 CEPQLEJNPMLLHC-KRWDZBQOSA-N 462.510 2.410 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1c(F)cccc1Cl)[C@H]1CCS(=O)(=O)C1 1760187964 MITNNCPVPDCUPZ-CABCVRRESA-N 452.939 2.250 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OCC(F)(F)F)cc1 1760209968 KYRBVUIWFMGVHH-MRXNPFEDSA-N 483.516 2.341 30 10 JEEE C#CCN(CCOC)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CC[C@@]2(CCOC2)O1 1760253220 OAAFARDYAXLDGY-QPPBQGQZSA-N 451.527 2.153 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccccc3Br)n2CCN(C)CCOC)CC1 1760259173 ZMDXHMWNKQMSJS-UHFFFAOYSA-N 461.408 2.041 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCC(=O)N(C)C)CC1 1760265475 BVNTZVWQFOQBLM-KRWDZBQOSA-N 470.549 2.001 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC)c(OC)c1 1760337059 MWLMPFZXQBXKIH-FQEVSTJZSA-N 479.603 2.079 30 10 JEEE C=CCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1760508889 SDDUCZBAVFYFAW-KRWDZBQOSA-N 466.546 2.459 30 10 JEEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(=O)c2ccccc2)CC1 1760560019 NFBXFCUIFDZUOQ-GOSISDBHSA-N 492.671 2.160 30 10 JEEE CCOc1cc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)ccc1OC 1765963985 BQJLNXDWYDSNQC-SFHVURJKSA-N 459.572 2.376 30 10 JEEE N#Cc1ccccc1NC(=O)c1nc(C(=O)N2CCN(c3ncccn3)CC2)n2ccccc12 1858243370 YVDWPDMWZLEZCE-UHFFFAOYSA-N 452.478 2.211 30 10 JEEE O=C(O)c1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCN2CCOCC2)cc1 1862677643 FBPJFMNLPOXCDP-HXUWFJFHSA-N 454.454 2.434 30 10 JEEE CCC[C@@H](NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(=O)N(CCOC)CCOC 1868795131 JGARSFZRZWGMFP-WOJBJXKFSA-N 464.632 2.431 30 10 JEEE O=C([C@H](Cc1ccccc1)N=C1NS(=O)(=O)c2ccccc21)N1CCN(c2ccccn2)CC1 1869928116 QVPWQDQUEDZVRM-NRFANRHFSA-N 475.574 2.080 30 10 JEEE C=CCN(CC=C)c1nc(NC(=O)COc2ccc(C)c(C)c2)n([C@H]2CCS(=O)(=O)C2)n1 1870004915 PJWLAORVRYYEOG-SFHVURJKSA-N 459.572 2.450 30 10 JEEE C#CCOc1cn(CCN2C(=O)CSC2=O)c(CNc2cc(NC(C)=O)ccc2C)cc1=O 1871009194 JFPDBENWRSBULL-UHFFFAOYSA-N 468.535 2.435 30 10 JEEE C#CCOc1cn(C[C@H](c2ccc(O)cc2)N(C)C)c(CNc2ccc(S(N)(=O)=O)cc2)cc1=O 1871010974 VBZPWIMQDSBAIX-HSZRJFAPSA-N 496.589 2.128 30 10 JEEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)NCc1ccc(S(N)(=O)=O)cc1)n2CCCOC 1873589307 NILJMCDKQQBBSN-UHFFFAOYSA-N 498.609 2.224 30 10 JEEE CCN(CC)CC#CCNC(=O)C[C@H]1Cn2c(nc3c(cnn3-c3cccc(C)c3)c2=O)S1 1891098365 SJRQRWZBIZALRC-IBGZPJMESA-N 464.595 2.216 30 10 JEEE N#Cc1ncccc1OC1CN(C(=O)C[C@@H]2CSc3nc4c(cnn4-c4ccccc4)c(=O)n32)C1 1891754886 NSIPQXJVNTZELQ-MRXNPFEDSA-N 485.529 2.176 30 10 JEEE CC(C)(C)OC(=O)NCC12CC(C(=O)Nc3cc(B4OC(C)(C)C(C)(C)O4)ccn3)(CO1)C2 2206616576 KGQYAFAVRNAKDP-UHFFFAOYSA-N 459.352 2.393 30 10 JEEE CN(CCOCCNC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2255531015 AEULWVPHKRXSPY-UHFFFAOYSA-N 455.386 2.056 30 10 JEEE C[C@H](CNC(=O)OC(C)(C)C)NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2255746192 VYHYEUYRSJVVCH-CYBMUJFWSA-N 458.361 2.316 30 10 JEEE Cc1sc(C(=O)N[C@@H]2COC[C@H]2NC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2255839830 ZNKACGKEYBRXPD-HUUCEWRRSA-N 452.382 2.378 30 10 JEEE C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccc(B2OC(C)(C)C(C)(C)O2)s1 2256616625 CWJDFRLOQVHBMV-BBRMVZONSA-N 454.398 2.280 30 10 JEEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)CN(CCO)C(=O)OC(C)(C)C 2256624123 JVKSYRFLCGJBHR-UHFFFAOYSA-N 454.398 2.235 30 10 JEEE Cc1c(C(=O)N(CCNC(=O)OC(C)(C)C)C(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267135386 BVOJDYAPTLEHQL-UHFFFAOYSA-N 450.389 2.403 30 10 JEEE CC(C)(C)OC(=O)NCC[C@H]1CN(C(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)CCO1 2267157603 YYGAJJZCVLKPPM-AWEZNQCLSA-N 467.397 2.198 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)CCO1 2267291173 MMBGCOGICJWNNC-HOCLYGCPSA-N 450.341 2.333 30 10 JEEE C=C(CS(=O)(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)[C@]2(CCOC2)C1)B1OC(C)(C)C(C)(C)O1 2267469522 WZKMYWRXQNXNQA-HRAATJIYSA-N 472.413 2.262 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H](C)C(C)(C)NC(=O)OC(C)(C)C 2267530371 YZWQGITWHZPHRR-AWEZNQCLSA-N 450.389 2.449 30 10 JEEE CN(C(=O)OC(C)(C)C)C1(CNS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)CC1 2267710198 PJRIRISKOXSHMR-UHFFFAOYSA-N 487.453 2.261 30 10 JEEE COCCN(CCNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2267710846 BRYAULVSSWHHKA-UHFFFAOYSA-N 490.453 2.209 30 10 JEEE CN(CCCNC(=O)OC(C)(C)C)CCCNC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2282051812 JWUJCRRTHLHXRE-UHFFFAOYSA-N 482.456 2.409 30 10 JEEE CC1(C)OB(c2cccnc2C(=O)NC2(CN)CCN(Cc3ccccc3)CC2)OC1(C)C 2282182450 SJKYYPNEMMWAME-UHFFFAOYSA-N 450.392 2.104 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H]2CCN(C(=O)c3ncncc3B3OC(C)(C)C(C)(C)O3)C[C@@H]21 2282191006 UMKAUWFOSJJZQQ-WBVHZDCISA-N 458.368 2.247 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](NC(=O)c3ncncc3B3OC(C)(C)C(C)(C)O3)C[C@H]2C1 2282192423 XAXACRGFANPCPX-MUJYYYPQSA-N 458.368 2.151 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(F)c(B3OC(C)(C)C(C)(C)O3)c2)[C@H](CO)C1 2282478943 KURCMCAXWDHKDZ-INIZCTEOSA-N 464.343 2.179 30 10 JEEE Cc1nn(C)c(C(=O)NCC2(CNC(=O)OC(C)(C)C)CCC2)c1B1OC(C)(C)C(C)(C)O1 2282566109 TUIMEAZHNCPYPV-UHFFFAOYSA-N 462.400 2.453 30 10 JEEE Cn1nc(C(=O)N2C[C@@H]3[C@@H](CC[C@H]3NC(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2282626926 FMRRUSMQXQITMB-ARFHVFGLSA-N 460.384 2.095 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@]2(CCN(C(=O)c3ncncc3B3OC(C)(C)C(C)(C)O3)C2)C1 2282706572 NLVKYRRBSQXUCZ-QHCPKHFHSA-N 458.368 2.249 30 10 JEEE CC1(C)OB(c2sccc2CS(=O)(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)OC1(C)C 2282883864 GYUSEILEGHKPHF-QHCPKHFHSA-N 492.472 2.104 30 10 JEEE Cc1cc(S(=O)(=O)N[C@@H](CN(C)Cc2ccccc2)C(=O)O)sc1B1OC(C)(C)C(C)(C)O1 2284410647 CZPXHCXWSPXVMS-KRWDZBQOSA-N 494.444 2.219 30 10 JEEE COC[C@H]1C[C@H](CNC(=O)OC(C)(C)C)N(C(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)C1 2289506890 MGAJSMXQIHZYBV-LSDHHAIUSA-N 481.424 2.444 30 10 JEEE COc1ccc(C(O)=C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccccc2)c(OC)c1 2296609516 GLBUNCLXOJWELE-JOCHJYFZSA-N 452.507 2.458 30 10 JEEE C=CCOc1ccccc1C=Nn1c(CNC(C)=O)nnc1SCC(=O)NCc1ccco1 2330749804 JMNQGBHQHSLKHB-UHFFFAOYSA-N 468.539 2.363 30 10 JEEE CN(C(=O)OC(C)(C)C)[C@@H]1CN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CC1(C)C 2361508655 OMENDVPLJVNYOC-OAHLLOKOSA-N 460.384 2.493 30 10 JEEE Cc1ccnc(C(=O)NCCOC2CN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2362201671 JQZVLYXDIHNTFJ-UHFFFAOYSA-N 461.368 2.055 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC2CC(F)(CNC(=O)OC(C)(C)C)C2)n1C 2362342128 XMQLIRXZXXCHGD-UHFFFAOYSA-N 466.363 2.153 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC[C@]12CCN(C(=O)OC(C)(C)C)C2 2362352963 HNQBYHVUGBYABL-HSZRJFAPSA-N 460.384 2.335 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CN(c3cc(B4OC(C)(C)C(C)(C)O4)c(F)cn3)C[C@@H]2[C@H]1CO 2372001629 YYUYKTBYAHUUME-RLFYNMQTSA-N 463.359 2.184 30 10 JEEE COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2cc(F)c(F)c(F)c2)c(=O)n1Cc1ccccc1 524410645 KLFNUAWLVXKHCK-AWEZNQCLSA-N 487.503 2.030 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)N3CCC[C@H](NS(=O)(=O)c4cccc(F)c4)C3)cc2C1=O 524585454 QIRCQFKGCCMRKB-KRWDZBQOSA-N 471.510 2.191 30 10 JEEE C[C@@H]1Oc2ccc(C(=O)C[S@@](=O)CC(=O)Nc3sc4c(c3C#N)CCC4)cc2NC1=O 586348493 MRCOHRKZRSGLGH-AJHPHWTPSA-N 457.533 2.398 30 10 JEEE C#CCNC(=O)[C@@H](C)Nc1cc(I)cc(I)c1 690338347 DLOVDCZMYKFWLD-MRVPVSSYSA-N 454.049 2.446 30 10 JEEE C#CCN(C(=O)CSCc1nc(O)c2c3c(sc2n1)CCCC3)[C@@H]1CCS(=O)(=O)C1 729332524 ZTLOAGRAMWUJFO-CYBMUJFWSA-N 465.622 2.158 30 10 JEEE CC#CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1NC(=O)C[C@H]1C(=O)O 757206002 CLRREPHXOMJIPM-RTWAWAEBSA-N 461.474 2.024 30 10 JEEE C=CCN1C(=O)C(=O)N(CC(=O)N(c2nc(C)c(C(=O)OCC)s2)[C@H](C)CCC)C1=O 1126370239 PRUABPQERCRKDW-GFCCVEGCSA-N 450.517 2.127 30 10 JEEE C#CCOc1ccccc1CNS(=O)(=O)c1cc(S(C)(=O)=O)ccc1Br 1209737043 YIIJFVJLROQDGP-UHFFFAOYSA-N 458.355 2.343 30 10 JEEE C#CCN(CC#CC)C(=O)N[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 1248431772 NDDTTXOCJQOZKV-KRWDZBQOSA-N 452.374 2.270 30 10 JEEE C#CCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1286344619 CANWOCUUKMVTHB-QUCCMNQESA-N 467.570 2.497 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1286383086 VODFQXZRKIBLOE-QFIPXVFZSA-N 498.653 2.260 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCCN1C[C@H](C)O[C@@H](C)C1 1286397738 PMYDJDHJZVILKW-PMACEKPBSA-N 483.016 2.434 30 10 JEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ncc(CC)s1 1286408145 DQEVPDBMXYFFSB-UHFFFAOYSA-N 453.597 2.378 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C 1286467862 VLAWSTXRTLENTO-GUDVDZBRSA-N 466.648 2.496 30 10 JEEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2CCCN2C[C@H](C)O[C@@H](C)C2)CC1 1286479396 RJVNXXDGEDJQSQ-PMACEKPBSA-N 472.584 2.402 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2cccc(C(OC)OC)c2)CC1 1286485420 KTMKRUJBAARFHK-VXKWHMMOSA-N 469.586 2.097 30 10 JEEE C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1286584601 IQNCQGCCNGAGBK-UHFFFAOYSA-N 466.590 2.026 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)c2ccccc2)CC1 1286606151 IBFNJQXCTGHJMW-FQEVSTJZSA-N 452.559 2.221 30 10 JEEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1286775069 YISITWZUGWZVPR-IAGOWNOFSA-N 453.609 2.450 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1286823796 YKZFEVGJZFYKGO-UHFFFAOYSA-N 489.646 2.045 30 10 JEEE C#C[C@H](CO)NC(=O)c1ccc(C)c(S(=O)(=O)Nc2cc(Cl)c(OC)cc2OC)c1 1298583807 FYTBFPVUFUWYIM-CQSZACIVSA-N 452.916 2.190 30 10 JEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1300411600 VLZHDABVLZYIRM-QFIPXVFZSA-N 466.611 2.178 30 10 JEEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 1300428605 JYNOUSHORKLKAH-UNMCSNQZSA-N 487.626 2.317 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCCN1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1300495866 KDIPGURJGRTWHT-SFTDATJTSA-N 463.648 2.268 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2ccccn2)n1Cc1ccccc1CN1CCC(O)CC1 1300541396 TXUNBJZSFLJFLY-UHFFFAOYSA-N 454.578 2.342 30 10 JEEE C#CCN(CC#CC)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H](C)N1CCN(CC)CC1 1300591145 MMSSLDCVGGXCJM-JOCHJYFZSA-N 459.598 2.218 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2Cc2cccc(N3CCOCC3)c2)CC1 1300725540 IBTUFVVOFNNIIC-UHFFFAOYSA-N 464.614 2.327 30 10 JEEE C#CCSCCn1c(Cc2cccnc2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1300766527 DYAXYHMTBLMKJT-REWPJTCUSA-N 481.670 2.009 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ccc(Cl)cc1 1300806010 OBJRNSXWRSYAEQ-DENIHFKCSA-N 494.017 2.336 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCN(C(C)C)C1 1300915650 PPEUMTPTGBWPPU-PMACEKPBSA-N 468.668 2.134 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(Oc2ncccc2F)CC1 1300991882 XIAYIRLCAGGMOE-KRWDZBQOSA-N 479.578 2.355 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)NCC(F)(F)F 1301354786 JDPSRVDPYAGNOY-OAHLLOKOSA-N 489.495 2.190 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC[C@H](OCC(F)(F)F)C2)nnc1[C@@]1(OC(C)C)CCOC1 1301517653 AJDOOZDLBVIQAC-OXJNMPFZSA-N 475.512 2.169 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(CCOC2)C1 1301530317 RWOPFHIFTBAZPW-VGOFRKELSA-N 461.588 2.118 30 10 JEEE CC(C)(C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1302013982 GVTGZBMFSBXWDC-OAQYLSRUSA-N 465.602 2.280 30 10 JEEE Cc1ccc(NC(=O)c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@H]2CCS(=O)(=O)C2)cc1C 1304378300 BHLXPBQKASHFQH-HRAATJIYSA-N 460.535 2.024 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1C[C@H](C)CN1CCOCC1 1359019098 KILXCADYCIZJNP-QGZVFWFLSA-N 479.423 2.100 30 10 JEEE C=C(C)Cn1c(N2CCN(C(=O)Cc3cccc(OC)c3)CC2)nnc1[C@@]1(OCC)CCOC1 1359124823 FUBWJRBVWPRUBV-RUZDIDTESA-N 469.586 2.406 30 10 JEEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1359202797 BUKOHASPXHPSNQ-QZTJIDSGSA-N 498.650 2.071 30 10 JEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(Oc2ncccc2F)CC1 1359208164 HARLEPDYSJWWGN-HNNXBMFYSA-N 452.556 2.436 30 10 JEEE C=CCN(c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCS(=O)(=O)CC)C1CC1 1359249664 LCKBDCJDWZOSOD-UHFFFAOYSA-N 456.572 2.264 30 10 JEEE C=CCN(CC=C)c1nnc(-c2cc(Br)cn2C)n1Cc1cn(C2COC2)nn1 1359267976 YYHWKJMMWRWHSE-UHFFFAOYSA-N 459.352 2.436 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1359305215 WQAGSCLCIONSED-HXUWFJFHSA-N 466.586 2.367 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCc2c(F)cc(F)cc2[C@@H]1C 1359326922 NBNSPHKBTUPMIK-AWEZNQCLSA-N 467.542 2.419 30 10 JEEE CC(C)N(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1360112463 DWBKDXYXXALXIB-HXUWFJFHSA-N 451.575 2.270 30 10 JEEE CCOC(=O)N[C@@H](CC(C)C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC#N)CC1 1502516539 DCVKAUYYPUNZKI-OALUTQOASA-N 480.635 2.471 30 10 JEEE C#CCCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2nccn3cnnc23)[C@@H](C)C1 1507554584 URBYUZHOGMIYOI-SFHVURJKSA-N 478.605 2.153 30 10 JEEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1507572850 ZFSLCUCAPBBHNI-UHFFFAOYSA-N 463.464 2.234 30 10 JEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)N(C)[C@@H](C)c1ccccc1 1507592226 QYSVKUACKSXYLM-AZUAARDMSA-N 457.600 2.249 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1CCc1nc(C)c(C)s1)[C@H]1CCS(=O)(=O)C1 1507628644 HUZVBMLCSBWKCL-KRWDZBQOSA-N 456.597 2.283 30 10 JEEE C#CCN(c1nnc(-c2csc(N3CCOCC3)n2)n1CCCC(C)C)[C@@H]1CCS(=O)(=O)C1 1507631363 OVSIVOJSLDBGQB-GOSISDBHSA-N 492.671 2.301 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(C(=O)N3CCCC3)n2Cc2ccccc2F)n1 1507713988 FPIJZDHKKIXEDQ-UHFFFAOYSA-N 465.533 2.184 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCN2C[C@@H](C)O[C@H](C)C2)CC1 1507717455 DKYBNOSNVGEBJQ-QZTJIDSGSA-N 490.450 2.290 30 10 JEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 1508083865 DDHYMEPLISUDGL-QGZVFWFLSA-N 485.658 2.411 30 10 JEEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1508095929 ZXLAWCXEBKADIF-UHFFFAOYSA-N 467.643 2.369 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 1508143304 XWLYUNDGPDTWFM-GOSISDBHSA-N 493.605 2.247 30 10 JEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1508164145 ZAXCQOKKICGOQS-ZWKOTPCHSA-N 469.677 2.088 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccc(N2CCOCC2)nc1 1509949004 FXFLUSXXQOLFJS-SFHVURJKSA-N 495.609 2.367 30 10 JEEE Cc1cccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCNS(=O)(=O)c2ccc(C)s2)n1 1511106694 DZPVCZNXNIMIGH-HXUWFJFHSA-N 475.575 2.439 30 10 JEEE CC[C@@H](C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1Cc1cccc(S(=O)(=O)NC)c1 1513013502 AJNCQEZHBLLXSR-GOSISDBHSA-N 494.625 2.341 30 10 JEEE COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CCN(C(=O)CC2(C#N)CCCCC2)CC1 1515187386 HLOMCZZHHQSMNG-UHFFFAOYSA-N 451.545 2.380 30 10 JEEE CN(C)C(=O)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1516959463 CZLZQZPLLSGSPH-WOJBJXKFSA-N 452.559 2.460 30 10 JEEE CN(C)c1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)cn1 1516997686 AWNWLHAATHUMTK-FQEVSTJZSA-N 465.583 2.339 30 10 JEEE COc1ccc(CCc2nnc(N3CCC[C@@](C)(C#N)C3)n2CCC(=O)N2CCOCC2)cc1 1518203891 DUNWTZBUMIBUGI-VWLOTQADSA-N 466.586 2.451 30 10 JEEE C=CCn1cc(CNC(=O)c2cc(S(=O)(=O)N(CC)CC)ccc2Br)nn1 1536910455 XMTUSWOYYFGXGB-UHFFFAOYSA-N 456.366 2.187 30 10 JEEE CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CCN(C(=O)c2cccc(S(C)(=O)=O)c2)CC1 1538446305 FMBLUCQEOQNOPX-UHFFFAOYSA-N 455.536 2.104 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCc2ccccc21 1539013894 KNCYGJGVFNBNAH-DSKINZAPSA-N 457.600 2.189 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H](c1cccs1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1539212351 VITWBNVVPSWAKV-IEBWSBKVSA-N 470.624 2.331 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1ccc(OC)cc1OC)[C@@H]1CCS(=O)(=O)C1 1539220438 JIUKDAWYNPUHKP-QUCCMNQESA-N 474.583 2.212 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H](C(C)C)N1CCOCC1 1539283878 CMFLDVRQEXLLTE-BHIFYINESA-N 484.645 2.478 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCCN2C[C@H](C)C[C@@H](C)C2)CC1 1539431523 UXULWCYDKWMCNF-RQTOMXEWSA-N 458.651 2.053 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(Br)c3)n2Cc2ccc(C(N)=O)nc2)CC1 1539434974 ZRWPQFLHKMAMOE-UHFFFAOYSA-N 480.370 2.005 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2CCn2cc(Cl)cn2)CC1 1539469743 FYGKTHQXLCARTP-UHFFFAOYSA-N 467.961 2.470 30 10 JEEE C#CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1539519206 FCAXPMUWWOFNQL-HXUWFJFHSA-N 477.631 2.379 30 10 JEEE C=C(C)COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1539728990 NFKOJULYHKLQHD-LJQANCHMSA-N 483.529 2.213 30 10 JEEE C=CCCOCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN2CCOC[C@H]2C1 1540021033 OZOBGEJORFBWBN-MRXNPFEDSA-N 451.369 2.149 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1540863015 NQILJTACCRLWKI-SFTDATJTSA-N 499.635 2.464 30 10 JEEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](c2cccc(OC)c2)C1 1540874344 CTEYRRZUFJJLHY-LJQANCHMSA-N 496.593 2.158 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1540875532 ORVAOMLHKUFCEP-UHFFFAOYSA-N 491.474 2.403 30 10 JEEE C=CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H](N2CCCC2=O)C1 1540919751 GNVFNFRGCZNOQP-INIZCTEOSA-N 460.629 2.390 30 10 JEEE COCCCNC(=O)N1CC2(CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)C[C@H]1C(N)=O 1548379925 LSBBSROICKUELP-SFHVURJKSA-N 467.492 2.469 30 10 JEEE CN(C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCC=CO2)CC1)S(C)(=O)=O 1554124346 HQFXEBTUZONMEH-FQEVSTJZSA-N 456.572 2.370 30 10 JEEE COC[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1555229007 CXSLPZWCIIPSOR-QGZVFWFLSA-N 478.557 2.156 30 10 JEEE C#CCOc1ccccc1NC(=O)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 1562640024 YHKXYROZBZHYKH-UHFFFAOYSA-N 457.537 2.242 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1cccc(CN2CCO[C@H](C)C2)c1 1587662374 NCNLHHDZVBFMQT-WOJBJXKFSA-N 450.587 2.127 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2Cc2csc([C@@H](C)OC)n2)CC1 1588930489 XKSAZDFVOWHMLI-AEFFLSMTSA-N 472.615 2.350 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@H](C)CNC(=O)OC(C)(C)C)CC1 1588955022 OBGJHMSZOGGKKC-LJQANCHMSA-N 495.628 2.391 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2Cc2cccnc2OCC(F)(F)F)CC1 1588969169 WEUUVSZIPFPLGJ-GOSISDBHSA-N 492.502 2.480 30 10 JEEE C#CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@H](S(C)(=O)=O)C1 1588994429 VWLIAPVVWHNBLO-AWEZNQCLSA-N 472.434 2.036 30 10 JEEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCc2c(ccnc2O)C1 1589006948 KHJBPJBJUPKPRU-UHFFFAOYSA-N 469.592 2.378 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccnc2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1589516322 ZJFZNXUYOOFFAB-NRSPTQNISA-N 474.631 2.429 30 10 JEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 1593763216 DNEWZDJROBLEPV-FQEVSTJZSA-N 472.634 2.468 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1oc2ccc(F)cc2c1C 1594963042 PAFVUDDSVITARA-IBGZPJMESA-N 463.535 2.475 30 10 JEEE C=CCN(CCOC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC1(O)CCOCC1 1595291817 RKOJQIXJDHRFKB-UHFFFAOYSA-N 482.585 2.416 30 10 JEEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 1595461186 OSSWRMWYNMRGBP-AQCRLBJHSA-N 460.623 2.005 30 10 JEEE C=CCNC(=O)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1595561874 FRBHUBPNBLATNH-GOSISDBHSA-N 470.599 2.056 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccc3cccnc23)C1 1595674180 NNOGPZQGFPUXFS-QFBILLFUSA-N 456.572 2.266 30 10 JEEE COCCn1cc(C(=O)N2CCN([C@@H](C#N)c3ccc(Br)cc3)CC2)ccc1=O 1616674771 DIODJMSQNUYYRL-IBGZPJMESA-N 459.344 2.280 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCC2(N3CCC(OC)CC3)CCCC2)s1 1633839797 YOZSQFFWEOBXEW-UHFFFAOYSA-N 455.646 2.295 30 10 JEEE C#CCN1CCCN(C(=O)c2ccc(NS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)CC1 1634011813 VDHQNBRSHJTIAH-UHFFFAOYSA-N 456.524 2.485 30 10 JEEE C=CCN1CCC(NS(=O)(=O)c2cc(S(=O)(=O)N(CC)CC)ccc2Cl)CC1 1660071652 AWQQJLQKIWZGKF-UHFFFAOYSA-N 450.026 2.299 30 10 JEEE C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Cl)c(OCCOC)c(Cl)c1 1660940044 KMQHEZBFMOZORC-LBPRGKRZSA-N 458.385 2.382 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1CCCCOCC)[C@@H]1CCS(=O)(=O)C1 1689982808 VBGUENPUOZTETL-QGZVFWFLSA-N 498.447 2.490 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1CCc1nccs1)[C@@H]1CCS(=O)(=O)C1 1689984534 QMJXBTPGKUJCKK-MRXNPFEDSA-N 487.607 2.288 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1C[C@@H](C)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1689992915 QVQWKUSKYAEJNO-IAGOWNOFSA-N 453.609 2.017 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1Cc1cn(C2COC2)nn1 1690008260 BVVCUAANCZNFGP-UHFFFAOYSA-N 461.526 2.025 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CC2CCN(CCC)CC2)CC1 1690146591 RHCHXAWMTWRAAI-QFIPXVFZSA-N 456.635 2.260 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(CCOC)C(=O)C1 1690238967 PWLSPEHRGNVXMB-WZONZLPQSA-N 485.585 2.239 30 10 JEEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1690419007 DULNQXCMCUVVHR-FQEVSTJZSA-N 471.650 2.249 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ccccc1Cl)C1CC1 1690545695 WWOYFBOCHWGOGV-IBGZPJMESA-N 482.006 2.498 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCN(Cc2csc(C)n2)CC1 1690723587 WISXDXOQWFCLNI-UHFFFAOYSA-N 487.655 2.336 30 10 JEEE COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C(C)C)N2CCOCC2)CC1 1697076329 CAOYWUOWRJNFMU-NRFANRHFSA-N 467.574 2.062 30 10 JEEE COCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](c2nccs2)C1 1698028493 GGOKJKXNWVXOQY-IBGZPJMESA-N 453.572 2.429 30 10 JEEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](CC)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1705565886 KEDKXSMWVRMSCF-SXLOBPIMSA-N 455.584 2.050 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1CCN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1705571350 YHYHGKWUMUGKKL-FQEVSTJZSA-N 459.591 2.121 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCOc2cc(C)cc(C)c2)CC1 1705643611 MHQYACHMPXUSFG-GMAHTHKFSA-N 453.587 2.453 30 10 JEEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(S(=O)(=O)CC)CC1 1705692825 UZNAHDUYVPEMPT-HOCLYGCPSA-N 477.425 2.314 30 10 JEEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1705730261 FYMYLXPINABCKS-AWEZNQCLSA-N 451.325 2.269 30 10 JEEE C=C(C)COCCn1c(-c2ccc[nH]2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1705734282 JRUWPNXYHRWMGP-FQEVSTJZSA-N 455.607 2.389 30 10 JEEE C=C(C)COCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1705736679 ZRJUTCVCONPCBL-INIZCTEOSA-N 467.530 2.464 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc(-c2cnccn2)n1C[C@H]1CCCN1S(C)(=O)=O 1705878529 RRNSURLEALDCQS-HXUWFJFHSA-N 467.599 2.394 30 10 JEEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC(N(C)C(=O)OCC)CC1 1705939047 QPAWSCZOOSFHQS-UHFFFAOYSA-N 450.609 2.490 30 10 JEEE C[C@H]1CN(CC2CCN(c3nnc(-c4cccc(C#N)c4)n3CC(=O)N(C)C)CC2)C[C@@H](C)O1 1712850776 BZVOCHBCBDTBKD-KDURUIRLSA-N 465.602 2.231 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1CCN1CCC[C@@H]1C 1722417766 SEUDJPLEDUBNNT-ROUUACIJSA-N 462.595 2.152 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CCS(=O)(=O)CC1 1722503068 KUAKLSCKFVVJJR-KNQAVFIVSA-N 460.600 2.288 30 10 JEEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(OC)c(OC)c1 1722554411 FDPAYROPADZBMO-GOSISDBHSA-N 485.994 2.017 30 10 JEEE C=CCCOCCn1c(-c2ccccc2OC)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1722626731 OYODBBMUOUKZMY-FQEVSTJZSA-N 468.558 2.313 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Br)nnc1N(C)[C@H](C)CC(N)=O 1722725988 WFYGFZQNUVITLX-CYBMUJFWSA-N 470.393 2.009 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1722736600 CDWJFAPJRWCYLQ-IXDOHACOSA-N 469.608 2.080 30 10 JEEE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3cccc(C#N)c3)n2CC2([S@](C)=O)CCC2)C1 1722753634 FCCGVGLMFKHZQP-GTJUCTONSA-N 454.600 2.423 30 10 JEEE CC(=O)N1CCC[C@H](Cn2c(CNC(=O)c3cccs3)nnc2N2CCC(C#N)CC2)C1 1722767062 DRJWNBFDHYRJSL-SFHVURJKSA-N 455.588 2.268 30 10 JEEE CCN(CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@](F)(C#N)C1)C1CC1 1728501742 HOXHZESIFVWURM-QFIPXVFZSA-N 475.594 2.122 30 10 JEEE COCCN1C[C@@H](Cn2c(Cc3ccccn3)nnc2N(C)Cc2ccc(C#N)cc2)CC1=O 1730777594 GPQBMUBRFXXIGU-NRFANRHFSA-N 459.554 2.267 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2CC2CCS(=O)(=O)CC2)c1 1740564723 VUURMZDDFBCUMN-UHFFFAOYSA-N 492.605 2.145 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1cnn(CC(C)C)c1C 1740634308 CHZMKFVTMXVVTO-UHFFFAOYSA-N 454.542 2.203 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccnc(OC2CCCCC2)c1 1740640361 LMNFDMUHSONERK-HXUWFJFHSA-N 467.595 2.408 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(OC)CCOC1 1740732160 TWXJENODGJODIR-QFWMQHCXSA-N 475.590 2.384 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C1CCCCC1)N(C)C 1740732298 YKZIYQCOOTUCLK-YZUZCNPQSA-N 492.690 2.114 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)CCC1CCOCC1 1740752651 YVVHIIVYZKDBJX-WDSOQIARSA-N 455.625 2.122 30 10 JEEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1740844341 YKRQPIVHHLNOJL-UHFFFAOYSA-N 475.619 2.388 30 10 JEEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1740952662 KIPZAIUSTKQWHB-CEMLEFRQSA-N 452.603 2.279 30 10 JEEE C=CCNC(=O)Cn1c(N(C)[C@H]2CCCN(c3ccccc3)C2)nnc1[C@@]1(OCC)CCOC1 1740964340 BBBADDISZREUJA-SQJMNOBHSA-N 468.602 2.338 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCN(C)C(=O)[C@H]1C 1740987364 FMRSFPXVJRBIPA-JKSUJKDBSA-N 477.656 2.399 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 1740993342 YFKMLORECSFLPG-UHFFFAOYSA-N 496.641 2.105 30 10 JEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1741003596 XXUFKGURTCOEHW-IBGZPJMESA-N 481.688 2.328 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1CC[S@](=O)C(C)(C)C 1741912910 CHRXKZFHJITGRU-KNTRGWTASA-N 492.671 2.476 30 10 JEEE C[C@@]1(C#N)CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2cccc(F)c2)C1 1741983009 DFZYDLJETLTRPB-UGKGYDQZSA-N 476.578 2.123 30 10 JEEE C#CCCCn1c([C@H]2COc3ccccc3O2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1748752276 UKHQIYMTRNQQHR-HXUWFJFHSA-N 459.572 2.064 30 10 JEEE C#CCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1748759731 NVLZLTGFOQBCBD-UHFFFAOYSA-N 466.586 2.462 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCCCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1748811769 LCWFSOXGSVFTNU-OAQYLSRUSA-N 452.584 2.328 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC(C)(C)C(=O)NC)CC1 1749006633 VRRHCYJWTBXORV-UHFFFAOYSA-N 487.004 2.345 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C)COCc2ccccc2)CC1 1749008909 CSSNMXNSHRZUNV-UGKGYDQZSA-N 478.597 2.048 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1CCCNC(=O)c1cccc(O)c1 1749055764 ORIVITRHNGRJAD-JWQCQUIFSA-N 467.570 2.448 30 10 JEEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1749086446 LKGPMJAUGIFYRA-IAGOWNOFSA-N 485.427 2.493 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCN(CC(C)C)C1 1749159810 ZFQQCKWHUFRDHF-NHCUHLMSSA-N 482.695 2.381 30 10 JEEE C=C(C)COCCn1c([C@H]2CCCO2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1749241136 FTWXEIMHIQYWCV-HXUWFJFHSA-N 457.579 2.102 30 10 JEEE C=CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCN(CCOC)C(=O)C1 1749424610 LIKHZJWKJSTJTJ-UHFFFAOYSA-N 479.585 2.497 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1ccco1 1749537491 IJDBSPCSPFNJQT-LJQANCHMSA-N 469.567 2.396 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@]1(OC)CCOC1 1749584038 DMPSUPUKSWJBFI-NZQKXSOJSA-N 460.600 2.221 30 10 JEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCN2[C@@H](C)CC[C@H]2C)CC1 1749755337 FXSPLOYDSRRKBQ-HBMCJLEFSA-N 496.747 2.094 30 10 JEEE C=CCSCCn1c(Cc2csc(C)n2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1749762121 PPHBZUVLUYRWQN-UHFFFAOYSA-N 470.690 2.413 30 10 JEEE Cc1cccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@@](C)(C#N)C2)c1 1751636684 CTHPGAYQYMUJDK-UGKGYDQZSA-N 458.588 2.098 30 10 JEEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCO[C@@H]1c1ccc(C)cc1 1760175405 JCRFQIHAYYCNNS-FDFHNCONSA-N 487.626 2.157 30 10 JEEE C#CCN(c1nnc(-c2ccc(Br)cc2)n1CCCCCO)[C@H]1CCS(=O)(=O)C1 1760183709 QQLPCYDKJGAGOD-SFHVURJKSA-N 481.416 2.497 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@H](C)COc1ccccc1OC)[C@@H]1CCS(=O)(=O)C1 1760190820 ZUVRJEDOCZEWRI-AZUAARDMSA-N 498.609 2.029 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1CCCN1CCCCC1=O)[C@@H]1CCS(=O)(=O)C1 1760192912 ZNZYVLSAHFAUCB-OAQYLSRUSA-N 499.637 2.195 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)NC1CCCCC1 1760235313 JLZJOELPIPGIQG-IBGZPJMESA-N 474.606 2.495 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@]2(OC)CCOC2)CC1 1760267190 UVQMWHNRQPBBRZ-HSZRJFAPSA-N 457.962 2.370 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1760314171 UHBGNOPPOSVLPD-QZTJIDSGSA-N 475.663 2.401 30 10 JEEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1760524888 MJUCBMBWLRWQRF-HNNXBMFYSA-N 486.527 2.024 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1760548304 CRUKSXMNIGMFHG-NFBKMPQASA-N 492.667 2.436 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC(F)(F)C1 1760550820 KENOZYIHZYYODT-UHFFFAOYSA-N 472.514 2.417 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1760552747 ZNKFBOAVNWLCQF-OAQYLSRUSA-N 486.598 2.349 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCOc2ccccc2)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1760557302 HGIBQJIJKLYYJQ-GBXCKJPGSA-N 490.626 2.275 30 10 JEEE CC(=O)N1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCN/C(O)=C2/N=CC=CC2=O)[C@H](C)C1 1760613277 VWOINCUGCJQYPI-KJXVGZKYSA-N 497.987 2.106 30 10 JEEE CC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)CCS1 1763580403 BXPQIEUFNFOOKR-IBGZPJMESA-N 476.628 2.096 30 10 JEEE CCN1CCN(C[C@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](CC(N)=O)C2)CC1 1765552166 DVSVGFUHJDMVEC-RBBKRZOGSA-N 478.645 2.182 30 10 JEEE CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCOC2=O)C1 1766186880 GXEBBXOITVOLAD-HXUWFJFHSA-N 465.558 2.402 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)nc1C 1858630132 CXDUDVQADAAASK-UHFFFAOYSA-N 478.596 2.048 30 10 JEEE COc1cccc(C(=O)C2=C(O)C(=O)N(C[C@H](C)O)[C@H]2c2cc3c(cc2[N+](=O)[O-])OCCO3)c1 1862708887 HGCFLJNNQCPOBH-YUNKPMOVSA-N 470.434 2.334 30 10 JEEE C=CCOc1ccccc1[C@H]1C(C(=O)NCCCO)=C(N)Oc2c1c(C)nn2-c1ccccn1 1864318623 AUMRPUATTTZVPF-OAQYLSRUSA-N 461.522 2.334 30 10 JEEE C=CCN(CC=C)C(=O)[C@@H](CCC)NC(=O)c1ccc2c(c1)C(=O)N(CCCN(C)C)C2=O 1868610923 OQPXQTHGLICEKO-OAQYLSRUSA-N 454.571 2.333 30 10 JEEE CCN1CCN(C(=O)[C@H](CCSC)NC(=O)C2CCN([C@@H](C#N)c3cccs3)CC2)CC1 1868782298 GMPWHJWNWLEVDE-PMACEKPBSA-N 477.700 2.427 30 10 JEEE CCOC(=O)COc1cn(CCNC(C)=O)c(CSc2nc(C)c(C)c(C)c2C#N)cc1=O 1870194603 XROGUYXRZMILIB-UHFFFAOYSA-N 472.567 2.411 30 10 JEEE COCCOC(=O)COc1cn(CCCO)c(CSc2nc(C)c(C)c(C)c2C#N)cc1=O 1870274005 ATPAMFXINVHAGL-UHFFFAOYSA-N 475.567 2.283 30 10 JEEE C=CCn1cc(OCC(=O)Nc2nc(C)c(C(=O)OC)s2)c(=O)cc1CN(CCO)CCCC 1870585785 GFVFXLBQACOPGH-UHFFFAOYSA-N 492.598 2.198 30 10 JEEE CC(C)N1C(=O)CS[C@@H](C(=O)N2CC(Cn3nc4c(cc3=O)CCC4)C2)[C@@H]1c1ccc(C#N)cc1 1889648349 ZBKYIYIBNJNQGF-LOSJGSFVSA-N 491.617 2.156 30 10 JEEE COC(=O)[C@H](CC(=O)N(C)c1cccc(B2OC(C)(C)C(C)(C)O2)c1)NC(=O)OC(C)(C)C 2180991865 SLWGVHRRMXBTQG-KRWDZBQOSA-N 462.352 2.405 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CC(C(=O)NCc2cccc(B3OC(C)(C)C(C)(C)O3)c2)=C[C@@H]1O 2188032560 RCJKHJNPDCJYIG-MOPGFXCFSA-N 458.364 2.186 30 10 JEEE CC1(C)OB(c2c[nH]nc2C(=O)N2CCC(CNC(=O)OCc3ccccc3)CC2)OC1(C)C 2255627933 ANMZKVHBTVEFPX-UHFFFAOYSA-N 468.363 2.488 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](NC(=O)c2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2255801008 IVBPYPMGKOLRRC-LSDHHAIUSA-N 452.382 2.147 30 10 JEEE CC(C)(C)OC(=O)NCCCNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2255933315 NHHHLALDBKBKME-UHFFFAOYSA-N 458.361 2.318 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(CNC(=O)[C@@H](O)[C@@H](C)NC(=O)OC(C)(C)C)s1 2256621004 PJMVYQYPZKVRLJ-CJNGLKHVSA-N 454.398 2.246 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2267379415 YAPHWSLBVLFHBU-NYHFZMIOSA-N 464.393 2.274 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCN(S(=O)(=O)Cc2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267411609 BGCQNFKVZQOGMZ-GOSISDBHSA-N 466.409 2.415 30 10 JEEE C[C@H]1CN(Cc2ccccc2)C[C@H]1NS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2267715296 VTRFIHNHEQVEQZ-LAUBAEHRSA-N 457.405 2.180 30 10 JEEE Cc1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H](CO)CNC(=O)OC(C)(C)C 2270440303 AUSVLBRUBNWBCC-AWEZNQCLSA-N 452.332 2.049 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H]1CNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2271977490 XVAJKTOPJUCHNQ-UONOGXRCSA-N 487.453 2.165 30 10 JEEE Cc1c(C(=O)N2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281803563 ZBYFGHSBYYEXKS-CVEARBPZSA-N 460.384 2.109 30 10 JEEE Cc1nn(C)c(C(=O)N[C@@H]2[C@@H]3CCCN(C(=O)OC(C)(C)C)[C@H]32)c1B1OC(C)(C)C(C)(C)O1 2281982311 MEDBCHSJDBOIET-USXIJHARSA-N 460.384 2.155 30 10 JEEE Cc1nc(C(=O)N2CCC(CO)(NC(=O)OC(C)(C)C)CC2)c(B2OC(C)(C)C(C)(C)O2)s1 2282026037 AUBGRVVVGZDDEP-UHFFFAOYSA-N 481.424 2.243 30 10 JEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)N(C(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)C1 2282034245 FLKVJBYFJVJRLQ-JKSUJKDBSA-N 462.400 2.437 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2C[C@@H](NC(=O)OC(C)(C)C)C2(C)C)n1 2282039127 QNCYLXQPHQDKJO-GOEBONIOSA-N 462.400 2.389 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC(C)(C)C2)n1 2282042570 DBIAGMKGHFPZHB-HNNXBMFYSA-N 462.400 2.485 30 10 JEEE Cn1nc(C(=O)NC[C@@H]2[C@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2282551443 JPBONNHDZOOLCZ-BFHYXJOUSA-N 480.802 2.358 30 10 JEEE C[C@@H]1C[C@@H](CNC(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)CCN1C(=O)OC(C)(C)C 2282552474 KPFIMPHSCHLCPV-CVEARBPZSA-N 462.400 2.485 30 10 JEEE Cn1ncc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C3(CC3)C2)c1B1OC(C)(C)C(C)(C)O1 2282570584 IMWPRIXXRSFMSK-HNNXBMFYSA-N 460.384 2.381 30 10 JEEE Cc1c(C(=O)N[C@@H](C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282592575 FIBWTWNTTKZPSC-GOEBONIOSA-N 462.400 2.403 30 10 JEEE CN([C@@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21)S(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2282863780 WJEVKIDELAVOCU-HGKCTWBKSA-N 478.420 2.472 30 10 JEEE COC1(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2O)CN(C(=O)OC(C)(C)C)C1 2282971199 YYGUYXLCKIINNV-UHFFFAOYSA-N 462.352 2.057 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1CCO[C@@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2283956481 KTOLJCQMNSODSS-BBRMVZONSA-N 465.331 2.388 30 10 JEEE CC(C)(C)OC(=O)NCCc1nc(=NC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)s[nH]1 2337398754 VABSPCALCXWRSY-UHFFFAOYSA-N 481.409 2.035 30 10 JEEE Cc1scc(C(=O)N[C@H](C)C2(O)CN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2343494163 HFNDTZMIRVGPPJ-CQSZACIVSA-N 466.409 2.456 30 10 JEEE Cn1ncc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H]3CCC[C@H]32)c1B1OC(C)(C)C(C)(C)O1 2367684601 JBMQTVQXONMUQX-IAGOWNOFSA-N 460.384 2.333 30 10 JEEE Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c2cnn(C(C)C)c2n1 11544527 IYULJZCNRZZGDC-UHFFFAOYSA-N 452.540 2.339 30 10 JEEE COc1ccc(NC(=S)/N=C(\NCCN2CCOCC2)Nc2nc(C)cc(C)n2)c(OC)c1 14158194 WSMIWAVFEWYLBG-UHFFFAOYSA-N 473.603 2.197 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)[C@@H](C)[S@](=O)CCN3C(=O)c4ccccc4C3=O)cc21 586354107 UMVDFJCYESCPSP-RQOHWKINSA-N 466.515 2.214 30 10 JEEE C#CCN(C(=O)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)[C@H]1CCS(=O)(=O)C1 729331082 MOARGXRHASTTAH-SFHVURJKSA-N 466.968 2.403 30 10 JEEE CC(C)[C@@](C)(O)C[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 1078928958 YXPVYQIMXPYFSF-MKQDWWRHSA-N 494.669 2.100 30 10 JEEE CC(=NNc1nc(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)n[nH]1)c1cccs1 1084155430 RTWSWRBAGDXRDU-UHFFFAOYSA-N 451.559 2.081 30 10 JEEE C#C[C@@H](NC(=O)c1cccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2OC)c1)[C@@H]1CCCO1 1138447253 OYNABIPHKIQJOA-XLIONFOSSA-N 459.480 2.315 30 10 JEEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(NC(=O)c2ccco2)cc1 1286377613 ZKAHLQXYHMUPBK-QGZVFWFLSA-N 453.524 2.143 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2sccc2c1 1286429923 DUOGUMFKZMSJDQ-FQEVSTJZSA-N 483.619 2.337 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2CC2(N(C)C)CCOCC2)CC1 1286488199 WBMHLJLVHFMCOD-UHFFFAOYSA-N 480.613 2.030 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1([S@@](C)=O)CC1 1286774057 YAVSNECUGJTLNW-UGAOPGRHSA-N 483.635 2.136 30 10 JEEE C=CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1286826684 PTQFYWHJNNPCPT-APWZRJJASA-N 465.645 2.322 30 10 JEEE CCCn1nc(-c2nnc(N(C)C[C@H](C)C#N)n2CCN2CCOC[C@@H]2C)c2ccccc2c1=O 1294763446 DPGBZRDEXPOVJI-MOPGFXCFSA-N 478.601 2.382 30 10 JEEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CCN(CC)C(=O)OC(C)(C)C 1300532051 LMBUNJRQQVLOLJ-UHFFFAOYSA-N 454.531 2.336 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CCCNC(=O)OC(C)(C)C 1300578888 JMMUSQXIYNCSSP-UHFFFAOYSA-N 454.531 2.384 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1CCNC(=O)C(C)(C)C 1300657388 LGSMXBUQLJARSL-UHFFFAOYSA-N 451.369 2.284 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(OCC(C)C)cc2)CC1 1300722132 HZTKUMVBKCXULE-QFIPXVFZSA-N 478.597 2.278 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](C)N2CCC(C)CC2)CC1 1300728602 BGBWVEMCJACERY-JOCHJYFZSA-N 480.661 2.226 30 10 JEEE C#CCSCCn1c(-c2cccc(OC)c2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1300743669 XELIOMBVLSLZIN-XXBNENTESA-N 482.654 2.309 30 10 JEEE C=C(Br)Cn1c(N2CC[C@H](CN3CCOCC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1300861191 BLQLHHBWVPLICO-NQIIRXRSSA-N 484.439 2.386 30 10 JEEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](O)(Cc2cccc(Cl)c2)C1 1300928778 NZEZMNOOAIDXBI-FOIQADDNSA-N 453.996 2.302 30 10 JEEE C=CC1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CC(=O)NCC(F)F)CC1 1301118893 NWHASTIOWPCJNJ-UHFFFAOYSA-N 467.546 2.022 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](N2CCCCC2)C1 1301150801 APBRPIVRZRAKMO-PMACEKPBSA-N 480.679 2.278 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CC(=O)N(C)[C@@H](C)C2)nnc1C1(c2ccccc2)CCC1 1301593961 YYXILHDKSUQRRJ-SFHVURJKSA-N 457.600 2.016 30 10 JEEE C=CCSCCn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1301615386 MZMPRNSWWGSDQZ-UHFFFAOYSA-N 475.688 2.297 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCOC1 1316089180 BCIQTDBNWJGHJU-SFTDATJTSA-N 473.599 2.131 30 10 JEEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCOC[C@@H]2OC)C[C@@H]1C 1316127846 BOIGOUJYRVABNX-NYVOZVTQSA-N 454.575 2.025 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C)cc2)n1CCS(=O)(=O)N1CCSCC1 1358897982 JZODQHCNYYAYJW-GOSISDBHSA-N 463.629 2.002 30 10 JEEE C#CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1358913545 QQHXBFJEPMKJHM-OALUTQOASA-N 495.646 2.403 30 10 JEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1358930648 ZOSNZZCUNIZYCM-DLBZAZTESA-N 451.593 2.039 30 10 JEEE C#CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1358941062 XDXUUUZDMLQVAD-RHSMWYFYSA-N 481.420 2.309 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@@H](C)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1358958022 FWGXPBRGINOGEG-QUCCMNQESA-N 459.616 2.311 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1CCCCN1CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1358960363 CQNMHBVVEHFLMF-UNMCSNQZSA-N 470.643 2.479 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H](Cc1ccccc1)OC)[C@H]1CCS(=O)(=O)C1 1358962396 PDHIUJVBLRYSJZ-BDTNDASRSA-N 472.611 2.404 30 10 JEEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1358985885 JIMBOIOAKSEZKA-RLWLMLJZSA-N 478.597 2.062 30 10 JEEE C=C(Br)Cn1c(Cc2ccccn2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1359085172 FBPHOLFYYBHBTN-UHFFFAOYSA-N 476.423 2.163 30 10 JEEE C=C(Cl)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1359149323 VYLNHWKRFHPYRS-CRAIPNDOSA-N 486.960 2.178 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CCN2C(=O)CC[C@@H]2C1 1359294951 KKJFWGSWZJEXNS-CQSZACIVSA-N 493.793 2.474 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](Nc2cc(OC)cc(OC)c2)C1 1359301182 UNFSOTXCGPOLBD-MSOLQXFVSA-N 470.574 2.182 30 10 JEEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(c2ncccc2F)CC1 1359337036 IPVAIDHEKSHFPW-INIZCTEOSA-N 483.639 2.058 30 10 JEEE CC(C)COC(=O)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2COCCO2)CC1 1360042911 CSKXDXFHUZZLPX-QFIPXVFZSA-N 498.584 2.449 30 10 JEEE CO[C@@H]1COCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1504520225 BTNATWOFQPFCGP-CEMLEFRQSA-N 452.559 2.173 30 10 JEEE COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1C[C@](C)(O)c1cccc(Cl)c1 1504883791 DPNQPVJZQJVNBI-QFIPXVFZSA-N 460.966 2.442 30 10 JEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1nccn1C(F)F 1507617701 YQXGPCFOWMVSSZ-AWEZNQCLSA-N 451.478 2.296 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1CCCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1507624830 FDUIMVZWXYPZFA-FQEVSTJZSA-N 487.626 2.075 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1ccc(N(C)C)c(F)c1)[C@H]1CCS(=O)(=O)C1 1507630407 YHIYINRSPIYPEH-SFHVURJKSA-N 468.558 2.220 30 10 JEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC[C@H](OC)C(F)(F)F 1507648461 OCVVSLIYSXBPLR-INIZCTEOSA-N 468.505 2.278 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2C[C@H]2CN(Cc3ccccc3)CCO2)CC1 1507733523 BLWCNDARZOCBPY-HSZRJFAPSA-N 464.614 2.268 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H]2CCCN(CC(C)C)C2)CC1 1507739725 UWPGHZQPFOPPLH-IRLDBZIGSA-N 456.635 2.116 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1507804777 HURVUYIHOHPWBJ-SMISUXHESA-N 484.597 2.413 30 10 JEEE C=C(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1507830177 VOGAOZIHVKDNDX-UHFFFAOYSA-N 471.587 2.420 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1507915703 WYPLWMGTXRUVIT-LJQANCHMSA-N 464.611 2.179 30 10 JEEE C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 1508066815 GBKFLHYSMGQAMY-GUDVDZBRSA-N 469.652 2.260 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[C@H](C(=O)OC)C1 1508072661 FABSRRIOUUGLAX-AWEZNQCLSA-N 478.347 2.018 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1508090260 FOQAKVYXFBMLAD-LJQANCHMSA-N 467.530 2.045 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 1508130400 HZVVTKXVPAEZRP-INIZCTEOSA-N 450.561 2.073 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1508143129 DTAVCMADTUQIKV-FVJLSDCUSA-N 466.629 2.304 30 10 JEEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCO[C@@H]2C(C)C)CC1 1508256971 AHIWTCNUHQOEJW-NZQKXSOJSA-N 452.559 2.458 30 10 JEEE CC(C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CSCCS2)CC1 1509760754 CAKVQWZILPHUHK-FQEVSTJZSA-N 485.683 2.312 30 10 JEEE CC1(C)CN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCS(=O)(=O)CC2)CC(C)(C)O1 1510321827 CBIJTLDAKDGUQD-UHFFFAOYSA-N 473.599 2.150 30 10 JEEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)CCO1 1517533303 ALLFHANRPZGGCS-LPHOPBHVSA-N 483.573 2.023 30 10 JEEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCN(C)C(=O)OC(C)(C)C)CCO1 1518938538 BBDWRUQTQNVZAR-FQEVSTJZSA-N 486.573 2.447 30 10 JEEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2CS[C@@]3(c4ccc(F)cc4)CCC(=O)N23)n1 1525226595 VFAADAFVHMRIKN-NZQKXSOJSA-N 456.543 2.221 30 10 JEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1539126467 VTOWFTXSKMXWGP-IRXDYDNUSA-N 451.593 2.039 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1ccc(N(C)C)cc1C)[C@@H]1CCS(=O)(=O)C1 1539224891 JSLLUCCVMJRAFG-HSZRJFAPSA-N 478.622 2.313 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCOc1ccc(Cl)cn1 1539245511 HNIZVWACXSWLNB-UHFFFAOYSA-N 498.996 2.396 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(SC)CCN(C)CC1 1539258168 RZMCVTJMGRLFAN-UHFFFAOYSA-N 475.622 2.092 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccc(OC)cc1)N1CCCC1 1539323688 JGDOFEOYHYJQOJ-ISKFKSNPSA-N 495.649 2.489 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC(C)(C)OCC)CC1 1539469542 BPHBPOIHZNMWJM-UHFFFAOYSA-N 487.626 2.130 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2C[C@H]2COCCO2)CC1 1539470197 ZEOIHRXGXRQBSD-IRLDBZIGSA-N 481.597 2.416 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2Cc2csc([C@H](C)OC)n2)CC1 1539475818 OUXMYDKROCNHQJ-HNNXBMFYSA-N 453.572 2.451 30 10 JEEE C=C(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1539690998 WVYCJAUBWCACFD-QGZVFWFLSA-N 466.995 2.200 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccc(OCC)cc2C1 1539803345 HVQPSQDCMFCEPW-IBGZPJMESA-N 482.006 2.325 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC(=O)NCC(F)(F)F)C1 1540886465 DKSBMEPNTWXBDZ-OAHLLOKOSA-N 469.464 2.422 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1540906830 CWHXXPWVBWRJPP-YKSBVNFPSA-N 490.626 2.459 30 10 JEEE CCN(C1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnn(C)c2C)CC1)S(C)(=O)=O 1547389901 DSFQEYARMYJEMH-UHFFFAOYSA-N 482.614 2.157 30 10 JEEE N#Cc1ccc(N2CCC3(CC2)CN(C(=O)c2ccncn2)C[C@H]3C(N)=O)cc1C(F)(F)F 1548375207 FSDRKZFEZPOFJS-KRWDZBQOSA-N 458.444 2.211 30 10 JEEE CN(C)C(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1552679843 CWZNYYLYGWQDBA-UHFFFAOYSA-N 466.590 2.315 30 10 JEEE C#Cc1cccc(NC(=O)CNS(=O)(=O)c2cc(Br)c(F)cc2[N+](=O)[O-])c1 1561148833 XVKWCBXICWFELP-UHFFFAOYSA-N 456.249 2.395 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCc1ccn(C)n1)[C@@H]1CCS(=O)(=O)C1 1588030410 UPXOSOLFNLKVEE-YLJYHZDGSA-N 486.573 2.160 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CCOC[C@@H]1OC 1588171096 UOFWADDMWSERAA-HAGHYFMRSA-N 457.575 2.173 30 10 JEEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1(O)CCCCC1 1588627885 APTAMEIDCYEBCF-UHFFFAOYSA-N 460.604 2.019 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccccc3Br)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1588790873 FWDQIHTWKSGGAL-SFHVURJKSA-N 471.403 2.378 30 10 JEEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1589007780 QUXVOQITLUKWPB-IBGZPJMESA-N 470.555 2.047 30 10 JEEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1589427676 VBBQGYDJZYRSAY-QGZVFWFLSA-N 494.463 2.285 30 10 JEEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)c1ccccc1 1593747511 XUWXRIMSZISQCY-QUCCMNQESA-N 463.604 2.401 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)ccc2Br)nnc1N(C)[C@H]1CCOC1 1595496772 GSNCGCLWZRRJNW-ZDUSSCGKSA-N 450.337 2.244 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1595501010 JCCWAAPFLUVDDU-SANMLTNESA-N 493.612 2.359 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]1c1ccccc1 1595797829 JCXVRQOBGCKIJL-MOPGFXCFSA-N 464.613 2.123 30 10 JEEE CCc1nc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)cs1 1613880424 DIYZFAMVGZTEDW-UHFFFAOYSA-N 451.556 2.331 30 10 JEEE COCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1619562522 CCSWLVYQZRRCAV-QFBILLFUSA-N 476.603 2.010 30 10 JEEE C=CCn1c(SCC(=O)N2CC(=O)N(C)C(=O)C2)nnc1-c1ccc(Cl)cc1Cl 1626151226 OJZDZMFHUOFTMH-UHFFFAOYSA-N 454.339 2.357 30 10 JEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OCc2ccccc2)CC1 1689892214 ARBJTPJYAGOJIR-NRFANRHFSA-N 485.610 2.443 30 10 JEEE C#CCN(c1nnc(-c2ccccc2F)n1CCCc1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 1689986590 SUXCQQYBCKPILQ-GOSISDBHSA-N 456.547 2.077 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccn2C)n1C[C@H]1CCCN1S(C)(=O)=O 1690089761 LXZCINVVRPJFEL-HXUWFJFHSA-N 470.574 2.487 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@H]2CCCO2)CC1 1690124469 LZSUVJYCDCCYCN-PMACEKPBSA-N 458.607 2.327 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H](c2ccc(C)cc2)N(C)C)CC1 1690135149 PHNDQPHJPZVIAS-VXNXHJTFSA-N 466.630 2.369 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCN2CC=CCC2)CC1 1690136514 GORQVQQPGSWJSR-UHFFFAOYSA-N 489.624 2.375 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cn(C)c3ccccc23)nnc1N(C)CCNS(C)(=O)=O 1690242947 FKIPEXAPAYUZEF-UWJYYQICSA-N 472.615 2.403 30 10 JEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 1690509095 WRYYKUOMBQWQJS-QGZVFWFLSA-N 483.635 2.266 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[C@@](F)(C#N)C1 1690665975 VOLFUBAXHQHGFF-LJQANCHMSA-N 463.311 2.460 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1C[C@@H](OC)C(C)(C)C1 1690724185 JROBIBCWSPKMKX-RTBURBONSA-N 462.572 2.253 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1690725300 LQXONQVMWUXVQO-CYFREDJKSA-N 490.626 2.253 30 10 JEEE CCN(CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](C(=O)NC)C1)CCC(F)(F)F 1695747798 CRZPCBVXGOOGQM-SFHVURJKSA-N 479.507 2.042 30 10 JEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(Cc2ccccc2)CC1 1705510731 XGOUTTWUWCOOJG-FQEVSTJZSA-N 458.632 2.404 30 10 JEEE C#CCCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1705524556 ONJMJMPOFIDGKE-HXUWFJFHSA-N 478.597 2.376 30 10 JEEE C#CCCCn1c(N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705539641 XOKIRPJTTBRPIO-JTWNBILESA-N 499.616 2.277 30 10 JEEE C#CCN(c1nnc(-c2ccc3ccccc3n2)n1CCC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1705562442 CFUJPXQXORQWAD-SFHVURJKSA-N 453.568 2.281 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1CCC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1705562896 MGMWWTVGBGLPBJ-MRXNPFEDSA-N 466.991 2.395 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CC1(N(C)C)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1705564099 AAUZSGNLFLPZGE-VQTJNVASSA-N 463.648 2.063 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1Cc1cccc(O)c1)[C@@H]1CCS(=O)(=O)C1 1705569247 FJPWWGCWTUYPDL-GOSISDBHSA-N 457.581 2.014 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCO[C@@H](C)C1 1705591038 DHBPOODKFLRTJN-VQTJNVASSA-N 469.611 2.473 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)cc1C(F)(F)F 1705613420 ZPHBNGMSYHNXJU-QGZVFWFLSA-N 489.495 2.277 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccc3Cl)n2CC(=O)N(C)C)n1 1705631353 BHKFANJHCVWGGV-UHFFFAOYSA-N 455.950 2.169 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2C[C@](C)(O)C(C)C)CC1 1705650378 PTPXULABBMSDGE-VWLOTQADSA-N 453.587 2.272 30 10 JEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN([C@H](C)c2nccs2)CC1 1705663667 BMEDHBBERCDMTQ-QGZVFWFLSA-N 459.645 2.107 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)N2CCC[C@H](C)C2)CC1 1705769118 JCTLWPNTFABDIG-VQTJNVASSA-N 480.679 2.278 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1705791381 UWAPIHWJKLCTTK-UXHICEINSA-N 471.650 2.355 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1705906949 UOXBGIKOJMSOGA-GKVSMKOHSA-N 498.584 2.271 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](C[C@@H]2CCOC2)C1 1705937807 FKZJEIOSSRFMCO-SFTDATJTSA-N 476.647 2.384 30 10 JEEE CCN1CCN([C@@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(C(=O)OC)CC2)CC1 1710269672 ALAHXULBOCHFQJ-FQEVSTJZSA-N 495.628 2.144 30 10 JEEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1722322503 UCPNBXSSTMRYKB-UHFFFAOYSA-N 471.650 2.135 30 10 JEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](c2noc(C)n2)C1 1722325519 MJTAFBFZBDEGED-SFHVURJKSA-N 456.528 2.031 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCCO[C@H](C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1722360192 DWSNRNCGYIZAQP-DENIHFKCSA-N 482.610 2.473 30 10 JEEE C#CCN(c1nnc(-c2ccccc2)n1C[C@@]1(N(C)C)CCSC1)[C@@H]1CCS(=O)(=O)C1 1722363778 VMDKMKVEZHGTKQ-KNQAVFIVSA-N 459.641 2.009 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1CCCCSC)[C@@H]1CCS(=O)(=O)C1 1722364389 ZLFCOBIXWBQSHA-QGZVFWFLSA-N 462.597 2.444 30 10 JEEE C#CCN(c1nnc([C@@H](C)OCCOC)n1CC1CCC(F)(F)CC1)[C@H]1CCS(=O)(=O)C1 1722367427 WELAIXVPDPSFLP-AEFFLSMTSA-N 474.574 2.454 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCC1(O)CCOCC1 1722387549 HMEGVLNDWBCLBC-IBGZPJMESA-N 457.575 2.355 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCO3)n1CC[C@H](C(F)F)N1CCOCC1 1722392969 XHCJDPOBABRTET-LJQANCHMSA-N 471.508 2.493 30 10 JEEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCN1CCCCC1 1722429918 XLTQHMNSNLNSPY-UHFFFAOYSA-N 452.607 2.024 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2CCCOCC(F)F)CC1 1722433337 RDWPHCIOIZVNIQ-UHFFFAOYSA-N 471.350 2.473 30 10 JEEE C#CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1722465666 RCVSLTGIUJXMIL-OAQYLSRUSA-N 485.610 2.060 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCSCC(C)C 1722474084 LATIGPSQVOYBLT-GHTZIAJQSA-N 469.677 2.382 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1722492827 DOJTXGCZMPOBDI-HKBOAZHASA-N 472.634 2.484 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1722693396 MIKXQOKYBFKEAD-APWZRJJASA-N 476.528 2.006 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](c2ccco2)C1 1722725927 UKMGOFOVBVPPFM-MRXNPFEDSA-N 456.528 2.113 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)N2CCCC2)nnc1N(C)CC(=O)NC(C)(C)C 1722730927 HWHFPVUIHHIGEP-UHFFFAOYSA-N 454.575 2.478 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CCN1CCN(C(C)=O)CC1 1740541479 AFEIAAJCJJEUOB-LJQANCHMSA-N 468.602 2.363 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](Nc2ccccc2)C1 1740591375 OQFVXVAWGRPZFS-NHCUHLMSSA-N 472.615 2.105 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1CCCn1cccn1)[C@@H]1CCS(=O)(=O)C1 1740616494 BTCWBBICPREDBP-RBUKOAKNSA-N 486.573 2.471 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Br)n1C[C@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1740618738 BCXSKDDASMUDIC-JKSUJKDBSA-N 480.432 2.284 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1CCSC(C)C)[C@H]1CCS(=O)(=O)C1 1740619293 HIDWJPQHUCPQDR-SFHVURJKSA-N 476.624 2.485 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCN(C)CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1740620584 QQTCWBITWBMKCS-QGZVFWFLSA-N 485.532 2.075 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(OC)nc1)[C@H]1CCS(=O)(=O)C1 1740621588 XMIMEGPWPDLGRT-KRWDZBQOSA-N 472.958 2.072 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCn1ccnc1C 1740639667 YKSOQOAAUKUPBQ-UHFFFAOYSA-N 454.538 2.343 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCn2cc(Cl)cn2)CC1 1740691839 AJTZIYZLALZAMB-UHFFFAOYSA-N 463.771 2.341 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCN(CCC)C(=O)OC(C)(C)C)CC1 1740703999 FPSPKFBKTUXHPX-UHFFFAOYSA-N 498.632 2.292 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@](C)(O)[C@H](C)CC)CC1 1740708068 AQLRPKGIRWFWCH-MZNJEOGPSA-N 486.642 2.033 30 10 JEEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1740850536 LISIVSWOEBWJFR-UHFFFAOYSA-N 484.605 2.060 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC[C@@](C)(CC)O1 1740931734 BDZVLFDVYPTVOR-LVCYWYKZSA-N 453.609 2.137 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2OCC)nnc1N1CCN2CCCC[C@H]2C1 1740964330 NOXPWSLBNZLAED-IBGZPJMESA-N 454.575 2.233 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H](COC)OC)C1 1740980349 JARMVIWLTBLMFC-QRVBRYPASA-N 481.594 2.029 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cccc(C(F)(F)F)n2)C1 1740982482 UZSPQGSWEBLJMZ-GDBMZVCRSA-N 471.505 2.424 30 10 JEEE CC(C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCC[C@H]2C)CC1 1741703849 GBKCMLSXEWJYPE-KBMIEXCESA-N 465.602 2.014 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1Cc1ccc(-n2ccnc2)c(F)c1 1741917041 ASELVNXBZNJDFI-HNNXBMFYSA-N 472.550 2.001 30 10 JEEE CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1747413638 AXVMEHJNOZCWCT-UHFFFAOYSA-N 481.626 2.302 30 10 JEEE CNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCCO[C@@H](C)C2)C1 1748171549 DRSUTSZEXSXCSV-UGKGYDQZSA-N 465.602 2.280 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2CCCO[C@H]2CCOC2)c1 1748697029 AIIGREJVIHKBDD-LEWJYISDSA-N 453.543 2.381 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1748808480 CSNOPDYCAUQBGL-SFHVURJKSA-N 473.990 2.215 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCN(C(C)C)C(C)C)[C@H]1CCS(=O)(=O)C1 1748816372 ZMNIDJUUDSHVOL-VQTJNVASSA-N 451.637 2.265 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCCc2nc(C)no2)CC1 1748980110 ZQMSWPUJIBUWNO-UHFFFAOYSA-N 451.531 2.042 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(F)cc3Br)n2CCCC(=O)N(C)C)CC1 1748984330 JTCNUUUUIATMFA-UHFFFAOYSA-N 477.382 2.470 30 10 JEEE C#CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1749023231 PTNWFNMVHZKYQZ-IBGZPJMESA-N 463.405 2.271 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1c(C)noc1C 1749119331 QDSNGPZROWSDOV-HFTRVMKXSA-N 452.581 2.111 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1cccs1)N(C)C 1749159820 ZLULFFQAHRSCOW-QZTJIDSGSA-N 482.676 2.378 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 1749268736 GIZVSTZABCPHGD-NWANDNLSSA-N 460.000 2.282 30 10 JEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2Cc3ccccc3C2)CC1 1749411758 FODFQGIIRCTWIN-SFHVURJKSA-N 458.632 2.144 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1749650694 FKXYKDKXPCDAGT-WOJBJXKFSA-N 486.592 2.408 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1749655291 GWDGPJIZQHXPBH-UHFFFAOYSA-N 466.502 2.202 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H]2[C@@H](C1)C2(C)C 1749724845 OAEADSAVIPYSKE-HDICACEKSA-N 464.613 2.042 30 10 JEEE C[C@H](Cc1cccs1)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1751112174 CASXCGOQNVVUIT-APWZRJJASA-N 478.644 2.291 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C)NC(=O)OC(C)(C)C)c1 1760129083 XMEYNIUWVHTQQZ-APWZRJJASA-N 495.584 2.199 30 10 JEEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1760132019 BMDUNAYDYPRERK-NRFANRHFSA-N 468.583 2.464 30 10 JEEE C#CCCCCn1c([C@H]2CCCCO2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1760137895 YYRBRSLUNAWXKE-LJQANCHMSA-N 455.563 2.380 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1CC(C)(C)N1CCC(OC)CC1)[C@@H]1CCS(=O)(=O)C1 1760185773 DEADOLAETRAJQN-LJQANCHMSA-N 479.691 2.383 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1CC1(O)CCCC1)[C@@H]1CCS(=O)(=O)C1 1760191251 DLHDDAJWZAZWKY-HXUWFJFHSA-N 472.611 2.406 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2ccccc2OC)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1760204573 VJVOQXCDCCUVDN-YADHBBJMSA-N 481.622 2.155 30 10 JEEE C#CCN(CC#CC)c1nnc(CSc2ccccc2OC)n1CCC(=O)N1CCOCC1 1760222676 UTISHHOGYDKZBF-UHFFFAOYSA-N 467.595 2.291 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@](C)(O)CCC(C)C)CC1 1760270988 HKVJXXHSMWEXBK-RUZDIDTESA-N 469.634 2.293 30 10 JEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(O)(Cc2cccc(C)c2)CC1 1760281582 UJVKAARKCIXECU-FQEVSTJZSA-N 453.612 2.478 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccsc2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1760296753 WAWPQKOUPNLUFX-XMMPIXPASA-N 462.579 2.186 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCC2(CC1)CNC(=O)C2 1760313128 JVKOBPLPDCLWFW-PXNSSMCTSA-N 458.607 2.284 30 10 JEEE C=CCC(C)(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCS(=O)(=O)CC1 1760410594 KGHLQSRRCUPIQM-UHFFFAOYSA-N 466.633 2.075 30 10 JEEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCO[C@@H]1CCOC1 1760464025 WSHDKDWWCMRQRZ-QZTJIDSGSA-N 451.568 2.404 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)Nc2ccccn2)nnc1N1CC(=O)N(C)C[C@@H]1C 1760532525 XGAXHZHSWOWNPV-KRWDZBQOSA-N 461.526 2.205 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)c(C)c2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1760557824 XDSNNPVWXKYXGA-RDPSFJRHSA-N 490.626 2.459 30 10 JEEE CC1CCN([C@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@H](C(N)=O)C2)CC1 1762948242 FGRLCMFOFRZUGY-UYAOXDASSA-N 451.575 2.161 30 10 JEEE C[C@H]1CN(C(C)(C)Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(CC#N)CC2)C[C@@H](C)O1 1763025286 BYMIDWZZWCMERO-NSHGMRRFSA-N 478.663 2.198 30 10 JEEE CCN(CC)C(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1764896394 FUGQMIXLFUFEFK-FQEVSTJZSA-N 499.641 2.225 30 10 JEEE CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)N2CCC[C@H](C)C2)CCO1 1767707198 GUIJXGLLIWIEKB-GHTZIAJQSA-N 465.602 2.278 30 10 JEEE CS(=O)(=O)NC[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(F)cn2)C1 1771364161 BMCLVFZNNQVGFX-GOSISDBHSA-N 499.572 2.077 30 10 JEEE COc1cc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCNC(C)=O)cc(OC)c1OC 1862602330 ZOIUUELXFXQTMQ-FQEVSTJZSA-N 470.478 2.132 30 10 JEEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(O)c([N+](=O)[O-])c2)c1 1862706337 UGWNDQBBBUBZPG-OAQYLSRUSA-N 483.477 2.220 30 10 JEEE O=C(C1=C(O)C(=O)N(CCN2CCOCC2)[C@H]1c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 1862739972 LAUZCQPMLRTJDN-FQEVSTJZSA-N 482.449 2.414 30 10 JEEE CC(C)[C@H](C(=O)Nc1c(C#N)nnn1Cc1ccc(C#N)cc1)N1C(=O)c2ccccc2C1=O 1870107730 WGQOUFWYFPVLTA-HXUWFJFHSA-N 453.462 2.329 30 10 JEEE COc1cc(/C=N/n2c(SCC(N)=O)nnc2[C@@H]2CC(=O)N(C(C)C)C2)ccc1OC(C)C 1874337004 FGAYZXUSIRUNPN-ACAPYZNFSA-N 474.587 2.258 30 10 JEEE CCc1nnc(SCC(=O)NCc2ccco2)n1/N=C/c1cc2c(cc1[N+](=O)[O-])OCCO2 1874525378 KHDKYSFBHUNWHT-LSHDLFTRSA-N 472.483 2.404 30 10 JEEE C=CCn1c(C(=O)N(CCO)Cc2ccccc2)cc2c(NCCN3C(=O)CSC3=O)ncnc21 1875232575 OWOQGQIHCOZTPH-UHFFFAOYSA-N 494.577 2.359 30 10 JEEE CC(C)N1C(=O)CS[C@H](C(=O)N2CC[C@H](Oc3cccnn3)C2)[C@H]1c1ccc(C#N)cc1 1891255380 PCDRPMCSROUHQA-BWAGFHJFSA-N 451.552 2.422 30 10 JEEE C=C1C[C@@H]2[C@]3(C)CCC(=O)C(C)(C)[C@@H]3C(=O)[C@H](O)[C@]2(C)[C@]2(C(=O)OC)C(=O)[C@@H](C)OC(=O)[C@@]12C 2069569207 DTCVESNFTXDLOC-VRCAMLARSA-N 474.550 2.204 30 10 JEEE CC(C)(C)OC(=O)N[C@H](C(=O)NCCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)C(C)(C)O 2188010833 RCRNGQBQUQEGSV-GOSISDBHSA-N 462.396 2.309 30 10 JEEE CCON(C(=O)c1sncc1B1OC(C)(C)C(C)(C)O1)C1CN(C(=O)OC(C)(C)C)C1 2255643223 QWYLLFZAZWYKIQ-UHFFFAOYSA-N 453.370 2.455 30 10 JEEE CC(C)(C)OC(=O)N1CC([S@](C)(=O)=NC(=O)c2occc2B2OC(C)(C)C(C)(C)O2)C1 2255657422 OUPQXIYQHQTAJO-HKBQPEDESA-N 454.354 2.436 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)CCO1 2255753643 RMDAZPGGKHFEDX-CYBMUJFWSA-N 474.410 2.267 30 10 JEEE CC1(C)OB(c2scnc2C(=O)N2C[C@@H]3OCCN(Cc4ccccc4)[C@@H]3C2)OC1(C)C 2267480822 GMESKAPVCWUUBN-MSOLQXFVSA-N 455.389 2.168 30 10 JEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1C[C@H](O)C[C@@H]1CNC(=O)OC(C)(C)C 2267519001 FFZVNQRAFJFWPF-HUUCEWRRSA-N 466.409 2.456 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)CCCO1 2267546100 RJGBDUODGYKZCD-AWEZNQCLSA-N 467.397 2.198 30 10 JEEE CC1(C)OB(c2cncc(C(=O)N[C@@H]3COCCN(C(=O)OCc4ccccc4)C3)c2)OC1(C)C 2267584911 NLPNRCLBSXAALF-NRFANRHFSA-N 481.358 2.148 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CC[S@](=O)(=NC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2267587297 VQLZNYFUUALIDA-ORCIVFGKSA-N 465.381 2.286 30 10 JEEE CC(C)(C)OC(=O)NC12COC(C(=O)NCc3cccc(B4OC(C)(C)C(C)(C)O4)c3)(C1)C2 2280790206 DWFMFBHTUAJDIM-UHFFFAOYSA-N 458.364 2.428 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)[C@@H](C(F)(F)F)C1 2281976704 FQJZZEADAFDRQK-CYBMUJFWSA-N 474.289 2.333 30 10 JEEE C[C@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)C[C@@H](C)CN1C(=O)OC(C)(C)C 2281977078 KHISOVZFHAWHSM-CVEARBPZSA-N 462.400 2.437 30 10 JEEE Cc1nn(C)c(C(=O)NC[C@@H]2[C@H]3C[C@H]3CN2C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2281987845 DUESFPKKCBGDNZ-HRCADAONSA-N 460.384 2.013 30 10 JEEE COCC[C@@H](CNC(=O)c1nn(C)c(Cl)c1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2282051525 UQPVLSBTXSODQK-ZDUSSCGKSA-N 486.806 2.032 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1[C@H](C)CCN1C(=O)OC(C)(C)C 2282055440 DSQVBTDYJIBVKJ-ZBFHGGJFSA-N 462.400 2.403 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NCC1(OC)CN(C(=O)OC(C)(C)C)C1 2282120598 JJFVOFUMNFQKNL-UHFFFAOYSA-N 463.384 2.173 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2282395416 MAUNKDZWQBFYSQ-KBXCAEBGSA-N 464.343 2.083 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](O)CN1C(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1F 2282397961 UXUVQZAJKZRNNR-LSDHHAIUSA-N 464.343 2.225 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)[C@H]2CCC[C@@H]12 2282536902 IVKGFJOQEINATA-UAGQMJEPSA-N 460.384 2.237 30 10 JEEE Cc1c(C(=O)NC[C@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282544836 UOTFFTKKGMDWOH-ZBFHGGJFSA-N 462.400 2.403 30 10 JEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1CO 2282558914 FXPIOCVUWKJLRL-DOTOQJQBSA-N 464.368 2.235 30 10 JEEE CC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2282577953 LPXMLSICLBCVHM-WBVHZDCISA-N 462.400 2.485 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](O)CN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2Cl)C1 2282607250 VTOQRMGRDVGEIO-HUUCEWRRSA-N 481.786 2.134 30 10 JEEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CN(Cc2ccccc2)CC(C)(C)C1 2282697450 QFJZPIFEQJHESD-GOSISDBHSA-N 453.396 2.145 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](CC(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2283944653 PXDFKVUMGNBAOE-CZUORRHYSA-N 465.331 2.076 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@](CO)(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2284019118 UIVDADWQLBLPFQ-QFIPXVFZSA-N 465.331 2.078 30 10 JEEE CC1=C(B2OC(C)(C)C(C)(C)O2)CCN(C(=O)[C@@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)C1 2284032605 GMVNKYTXDYYFAL-KRWDZBQOSA-N 484.424 2.201 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)CC[C@@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2284060393 MIHGQENSVIBKDT-GDBMZVCRSA-N 465.331 2.219 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@H](OCCNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2289954916 DTLWCDVAHDCYGQ-KRWDZBQOSA-N 463.384 2.460 30 10 JEEE CN(C)CCCN1C(=O)C(=O)C(=C(O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@H]1c1cccs1 2296553759 UEVJSDYCGBLCGB-LJQANCHMSA-N 477.608 2.372 30 10 JEEE Cc1c(C=C2SC(=S)N(CC(=O)O)C2=O)c(N2C[C@@H](C)C[C@H](C)C2)n(C)c(=O)c1C#N 2314457724 WHDYYQOGBHIBML-RYUDHWBXSA-N 460.581 2.334 30 10 JEEE COc1nc(OC[C@@H](CN(C)C)NC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2339826940 WKKDZGMWWDKMKB-OAHLLOKOSA-N 451.373 2.223 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)NCc1sc(Cl)cc1B1OC(C)(C)C(C)(C)O1 2343827453 PJLXJLGDZOLSPT-LBPRGKRZSA-N 487.815 2.086 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)Nc3cc(S(=O)(=O)N4CCOCC4)ccc3C)cc2C1=O 15092078 BPIXHUCUWJBCGU-UHFFFAOYSA-N 469.519 2.050 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(Cl)c(S(=O)(=O)N4CCOCC4)c3)cc2C1=O 24005490 YVCNXNJKFKDHHL-UHFFFAOYSA-N 489.937 2.395 30 10 JEEE COc1ccc(CN(/C(O)=N/S(=O)(=O)c2ccc(C)cc2)[C@@H]2CCS(=O)(=O)C2)cc1OC 39915141 BISIRNMYEBFWQM-QGZVFWFLSA-N 482.580 2.304 30 10 JEEE N#Cc1cnn(-c2ccccn2)c1NC(=O)c1nn(-c2ccc(Br)cc2)c(=O)cc1O 170498243 NMUXIBYYTADYPS-UHFFFAOYSA-N 478.266 2.405 30 10 JEEE Oc1c(Br)cc(Cl)cc1C=NNc1nc(N2CCOCC2)nc(N2CCOCC2)n1 252630112 UUVKUUYGIMMULQ-UHFFFAOYSA-N 498.769 2.112 30 10 JEEE Nn1c(N/N=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)nnc1SCC(=O)Nc1ccc(F)cc1 253568539 LIPFNRKNPGNUNI-DNTJNYDQSA-N 475.422 2.124 30 10 JEEE N#Cc1ccc(N2CC[C@H](C(=O)N3CCN(CC(=O)Nc4ccc(F)cc4)CC3)C2)c(F)c1 1135781006 GYJDLKNDDFGXSH-SFHVURJKSA-N 453.493 2.446 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2OC)CC1 1246895759 AZUMPBDIEJSLGH-DNVCBOLYSA-N 457.980 2.346 30 10 JEEE C#CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCN1CCOCC1 1286325373 XNJPGGOKUCLMJB-FQEVSTJZSA-N 476.622 2.158 30 10 JEEE C#CCN(c1nnc(C2(c3ccccc3)CCC2)n1CCNC(=O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1286383137 LGZAEPDABYXRNA-OAQYLSRUSA-N 483.638 2.147 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1Cc1cnccc1OC)[C@H]1CCS(=O)(=O)C1 1286392936 IEVGHHHMFOZAEI-KRWDZBQOSA-N 487.532 2.226 30 10 JEEE C#CCN(CC)c1nnc(Cc2cn3ccccc3n2)n1CCNC(=O)c1cccc(OC)c1 1286448823 AWDDNWILHSQSCG-UHFFFAOYSA-N 457.538 2.415 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2ccc(C#N)o2)CC1 1286485267 HIZOYEIFRKFWGS-HDICACEKSA-N 465.558 2.317 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CCS(=O)(=O)c2ccccc2)CC1 1286488170 UZXJYTYJDYEFHV-UHFFFAOYSA-N 481.578 2.286 30 10 JEEE C=C(Br)Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1286541939 GHIWUYGYSIHWBE-VQIMIIECSA-N 451.369 2.433 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(=O)c2ccsc2)CC1 1286784176 XVPIJMBGXHSUCV-UHFFFAOYSA-N 496.593 2.288 30 10 JEEE C=CCNC(=O)Cn1c(N2C[C@@H](C)N(CC)C[C@H]2C)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1286793645 ZVJPWSLKKIQKIJ-MKXGPGLRSA-N 475.638 2.270 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2C[C@H]3CC[C@H]2C3)c1 1300330782 DAGYDPGBAILCJO-LEAZDLGRSA-N 484.626 2.381 30 10 JEEE C#CCCCCn1c(N2C[C@H](C)[C@H](N3CCN(C(C)=O)CC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1300375724 BKRFWWYHZZSLGV-SYVJQLTCSA-N 486.661 2.111 30 10 JEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(c2ccc(OC)cc2)CC1 1300381386 QKCMLFGZQSUGOS-GOSISDBHSA-N 460.604 2.027 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1CCCCN1CCC[C@H]1CO)[C@@H]1CCS(=O)(=O)C1 1300487402 JABNCHXUBYYIDQ-FCHUYYIVSA-N 485.654 2.117 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1CCN(C)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1300488766 WDBXKUNVECCDIJ-OAQYLSRUSA-N 456.616 2.231 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1CCc1cnc2c(Cl)cnn2c1)[C@H]1CCS(=O)(=O)C1 1300497763 DDOBRGWGVJQGEO-KRWDZBQOSA-N 476.006 2.042 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCCCS2)CC1 1300711578 CWSUYQYAYSBMJV-GOSISDBHSA-N 467.599 2.177 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](CC)c3ccccc3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1300716029 HWOQCCFDJGDZOQ-UGKGYDQZSA-N 483.638 2.221 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@]2(N(C)C)CCSC2)CC1 1300722035 GNBXKYSMTOKHOU-DEOSSOPVSA-N 467.643 2.052 30 10 JEEE COCC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCC[C@H]2C)CC1 1300903250 GVRYKJYGPYEIPN-GOSISDBHSA-N 451.575 2.032 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCC(n3cc(Cl)cn3)CC2)nnc1[C@]1(OCC)CCOC1 1301596541 RKAOXGAZPWIXGH-NRFANRHFSA-N 499.037 2.222 30 10 JEEE C=CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CCN(CC(=O)NCC)CC1 1301597134 JYGKZVXVPOPLJM-UHFFFAOYSA-N 496.479 2.223 30 10 JEEE CC(=O)NC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@](C)(O)c2cccs2)CCO1 1301910646 FENBSLGPAJVPRS-GBXCKJPGSA-N 496.593 2.039 30 10 JEEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCC(CC#N)CC3)n2C[C@@H]2CCCCS2)C1 1302477126 CLSQWBUZMOIWGI-ROUUACIJSA-N 468.649 2.027 30 10 JEEE C#CCCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1358932839 YFLHVXLRUAPMPY-LJQANCHMSA-N 469.615 2.038 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1C[C@]1(O)CCSC1)[C@H]1CCS(=O)(=O)C1 1358958856 XIJJUJKSHXHIJD-HRAATJIYSA-N 497.042 2.102 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1CC1CCN(CCC)CC1)[C@H]1CCS(=O)(=O)C1 1358960478 FQXHGXXHPDCIGR-NRFANRHFSA-N 456.616 2.089 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CCc1ccc(F)c(F)c1)[C@H]1CCS(=O)(=O)C1 1358964538 AULSGNCFUZUCFF-IBGZPJMESA-N 471.533 2.412 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccc(N(CC)CC)nc1)[C@@H]1CCS(=O)(=O)C1 1358968071 YSHDHWHRJWSYAG-WOJBJXKFSA-N 472.615 2.046 30 10 JEEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(N(C)C)CCSC1 1359009977 COUQFLKURSOZLX-JPYJTQIMSA-N 478.663 2.483 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CCCCn2cc(Br)cn2)CC1 1359035200 ODOCOIHNCQFJSO-SFHVURJKSA-N 476.423 2.367 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC1(O)CCS(=O)(=O)CC1 1359108464 PEDAUNBOFTVGFF-UHFFFAOYSA-N 494.614 2.313 30 10 JEEE C=C(C)Cn1c(N2CCN(C(=O)Cc3cccc(OC)c3)CC2)nnc1[C@]1(OCC)CCOC1 1359124824 FUBWJRBVWPRUBV-VWLOTQADSA-N 469.586 2.406 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)c2ccccn2)CC1 1359178964 HZELBQSTTQGOLY-IBGZPJMESA-N 474.631 2.386 30 10 JEEE C=CCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1359223496 MNACXBUXVMILBG-WZONZLPQSA-N 476.599 2.326 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 1359293849 BQVNWCXZEBQJOR-GOSISDBHSA-N 455.559 2.278 30 10 JEEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@@H](CC(C)C)C1 1359298316 VHPTUFCJYJEHSV-KRWDZBQOSA-N 459.620 2.413 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1359302014 UJTJIGMQLPGZRH-QGZVFWFLSA-N 457.922 2.094 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@@H](C)CC(C)(C)C1 1359329501 LCTAKKLZZPRLRK-KRWDZBQOSA-N 470.603 2.394 30 10 JEEE CC(C)(C)Cc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CCNC(=O)c1cc[nH]n1 1359539986 DAQMSBPVZLBSAL-UHFFFAOYSA-N 475.601 2.214 30 10 JEEE CN(c1nnc(COc2ccc(C#N)cc2)n1Cc1ccc(F)cn1)C1CCN(S(C)(=O)=O)CC1 1503431296 DAGSPQYJOBRWMN-UHFFFAOYSA-N 499.572 2.171 30 10 JEEE C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1507625458 JLAQWLRHZHNXIM-BURNTYAHSA-N 496.674 2.470 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCCOc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1507638568 GFIGHFJIQXLTJJ-OAQYLSRUSA-N 482.610 2.236 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1507643801 RZRDRDKQEXTLEM-XMMPIXPASA-N 484.608 2.351 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)Oc1ccccc1OC 1507669670 PDJKAEQWPPPPQE-RTBURBONSA-N 456.568 2.119 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCCC(F)(F)C1 1507689929 NVXKLSVGDADMSM-IAGOWNOFSA-N 459.563 2.286 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1507733821 BSDPDBNKLHAICU-NRFANRHFSA-N 462.598 2.388 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](NC(=O)CC)C1 1507810101 ZGUXOKPWPAEEEC-NGVUMRSOSA-N 461.607 2.478 30 10 JEEE C=C(Cl)Cn1c([C@@H](C)OCCOC)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1507857782 SFZMXSMLXTXKDV-OAHLLOKOSA-N 452.943 2.450 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(Cc2cscn2)CC1 1508070703 BJPZBCOGSQEAFZ-UHFFFAOYSA-N 494.625 2.228 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)Cc1cnc(C(C)C)nc1 1508071677 DRLYVYWLIZTFMJ-UHFFFAOYSA-N 483.598 2.201 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1508075370 XSEMDQWXHDAHOQ-HOCLYGCPSA-N 463.629 2.057 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCCN(C(=O)c2cccc(C)c2)CC1 1508084975 RNGXJKIROZKOKH-UHFFFAOYSA-N 473.581 2.227 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C)CN2CCCCC2)C1 1508121853 ARCMIPGSWZVJEK-XUVXKRRUSA-N 451.637 2.084 30 10 JEEE C[C@@H]1SCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)[C@@H]1C 1512584320 AOHUJIBSQRCLHK-SOLBZPMBSA-N 460.629 2.428 30 10 JEEE CCc1nc(C)c(Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CCO[C@H](C#N)C2)o1 1513719622 GBFVBBSFESCVLZ-QGZVFWFLSA-N 469.933 2.497 30 10 JEEE CN(CCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1)CC(F)(F)F 1517307040 HTECCFFXHOACMZ-IBGZPJMESA-N 491.518 2.458 30 10 JEEE CS(=O)(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOc2ccc(Cl)cn2)CC1 1519529386 BAMJYIVZXMTDRJ-UHFFFAOYSA-N 487.973 2.026 30 10 JEEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@]1(N2CCOCC2)CCSC1 1539155045 NCOHQBPYHRIRMG-XMMPIXPASA-N 487.626 2.248 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2cccc(C)c2C)n1CC(=O)NCC1CC1)[C@@H]1CCS(=O)(=O)C1 1539203726 UBEJLGHQZNDSCJ-PZJWPPBQSA-N 499.637 2.188 30 10 JEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CCN1CCOC(C)(C)C1)[C@H]1CCS(=O)(=O)C1 1539206955 YCASGDLVZUTGBA-FQEVSTJZSA-N 492.045 2.336 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1Cc1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 1539211387 IGXYFMNKTNEARO-FQEVSTJZSA-N 498.609 2.149 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1CCc1cn2ccccc2n1)[C@H]1CCS(=O)(=O)C1 1539219994 PBBOIIGFUMSAQX-IBGZPJMESA-N 454.600 2.384 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(F)ccc2Br)n1C[C@H]1COCCO1 1539399476 MMFKQCSLKSYRBD-HNNXBMFYSA-N 453.312 2.348 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1539434886 XBHRRVMIQIVZGN-VFNWGFHPSA-N 478.366 2.142 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2cc(Br)ccc2F)CC1 1539446187 UAXTUYSHRVOSGX-GOSISDBHSA-N 475.366 2.129 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCOC[C@H]2C)CC1 1539470803 ZYRHEMSPDTZAOJ-XLIONFOSSA-N 466.542 2.492 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCC2(CC1)COC(=O)N2 1540879631 KDCGEDHGPREANO-UHFFFAOYSA-N 454.531 2.108 30 10 JEEE C=CCOc1ccccc1Cn1c(COCC)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1540881334 GLANINCLENOSBP-OAQYLSRUSA-N 468.558 2.194 30 10 JEEE CCN1CCN([C@H](C)Cn2c(C(=O)N3CCCC3)nnc2N(C)Cc2ccc(C#N)cc2)CC1 1547699427 HGRCLCZYRITEKH-HXUWFJFHSA-N 464.618 2.048 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2CCC(=O)N2)c1 1587689545 KKUUKFCBSMFDHZ-QGZVFWFLSA-N 496.369 2.371 30 10 JEEE C#CCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1587835514 SDGTYRJENVEIHK-DEOSSOPVSA-N 461.614 2.461 30 10 JEEE C#CCN(c1nnc(-c2cccc3cccnc23)n1C[C@H](F)COC)[C@@H]1CCS(=O)(=O)C1 1588046185 ZEFULVCFLDTQLM-ZWKOTPCHSA-N 457.531 2.105 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccc(OC)cc1)N1CCCC1 1588385173 FSULKBWFPKKTSV-IRLDBZIGSA-N 471.627 2.485 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(C)(C)N1CCOCC1 1588398697 IGRNAGUUIRUGDF-IBGZPJMESA-N 476.622 2.157 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCN(C)C2CCCCC2)CC1 1588733112 NRSWOOMKRGKVSE-UHFFFAOYSA-N 464.618 2.335 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCN(CC)CCC)CC1 1588837399 SQZXPNAHYMDXFK-OAQYLSRUSA-N 489.665 2.074 30 10 JEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2cccc(CN(C)CC)c2)CC1 1588865390 WLWLMCBZSKVOGH-UHFFFAOYSA-N 460.630 2.395 30 10 JEEE C=C(C)COCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1593711920 MFQPWPOJNVWOHI-DEOSSOPVSA-N 463.542 2.224 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CCSC1 1595161553 DNNDNABRSSQNAP-KXBFYZLASA-N 454.643 2.302 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CCN(CCOC)[C@@H](C)C1 1595490045 LIGMTPLZJFIHMP-IBGZPJMESA-N 463.586 2.261 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CCC(CC(=O)NC)CC1 1595490117 MVUXRFXNMCLHSY-UHFFFAOYSA-N 475.391 2.362 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 1595556325 ROSVQYREORTBFS-IBGZPJMESA-N 474.569 2.125 30 10 JEEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCO[C@@H](c2cccc(Br)c2)C1 1595594723 OMTPITTUIDNFEZ-QGZVFWFLSA-N 464.364 2.457 30 10 JEEE C=CCOc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCN(C(=O)C(C)C)CC2)cc1 1595614444 UDKKECXPXRBTLD-FQEVSTJZSA-N 487.626 2.098 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC(C)(C)C(=O)NCC)C1 1595690043 ZWAUGYSFXIGUNO-SFHVURJKSA-N 475.615 2.292 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1595799036 VWFRWDQJYQNPSL-HXUWFJFHSA-N 490.586 2.355 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 1595812494 VWQKWNXNZKQJMS-PKOBYXMFSA-N 490.630 2.214 30 10 JEEE C#CCN1CCC[C@H](NC(=O)c2cc(S(=O)(=O)N3CCc4ccccc43)ccc2OC)C1 1638074138 AXIYPQVFOCOEDJ-IBGZPJMESA-N 453.564 2.274 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1649543130 OQIWPFJIENVNSF-MRXNPFEDSA-N 471.587 2.278 30 10 JEEE C=CCC[C@H](NS(=O)(=O)c1cc(S(C)(=O)=O)ccc1Br)C(=O)OCC 1655359265 XUDYVDCVGIRBJH-ZDUSSCGKSA-N 454.364 2.029 30 10 JEEE C#CCN(C(=O)Nc1ccc(=O)n(CC(N)=O)c1)[C@@H]1CCOc2ccc(Br)cc21 1671525403 LTWDEGUNEGQCGI-MRXNPFEDSA-N 459.300 2.087 30 10 JEEE CNS(=O)(=O)c1cccc2c1CCN(C(=O)Nc1ccc(Br)c(C#N)n1)C2 1673540539 CDFAKCJWNZLXRR-UHFFFAOYSA-N 450.318 2.214 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC(C)(C)SC)CC1 1690139542 QXQLKOOKBUHLRI-UHFFFAOYSA-N 489.667 2.456 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2Cc2cccc(C(=O)NCCC)c2)CC1 1690146269 JOYZRBHHMBQPCX-QHCPKHFHSA-N 492.624 2.326 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(NC(=O)C(C)C)CC1 1690156334 VKLDGKBPEVKOAR-UHFFFAOYSA-N 455.588 2.033 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(O)(c2c(F)cccc2F)CC1 1690174802 KMZSUJVSPYICPQ-INIZCTEOSA-N 496.605 2.313 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCS(=O)(=O)CC1 1690238833 OEXTUIYYCVHGDA-OXJNMPFZSA-N 462.572 2.178 30 10 JEEE C=CC[C@H](Cn1c(COCC)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1)c1ccccc1 1690447682 VFRCLDNEANMYHD-HXUWFJFHSA-N 466.586 2.102 30 10 JEEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1690644355 GOWBQRUOKDGWIF-AZUAARDMSA-N 476.622 2.462 30 10 JEEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(N2CCCCC2)CC1 1690734017 TYRYWPUACZXAFZ-KRWDZBQOSA-N 456.682 2.262 30 10 JEEE CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cccnc2OCC(F)F)CCO1 1690955817 FMPXOCIKBIQIHP-FQEVSTJZSA-N 497.506 2.245 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CCc1c[nH]c2cc(F)ccc12 1692773104 BILDLHCJODWKQP-AWEZNQCLSA-N 459.551 2.491 30 10 JEEE COc1ccc(-c2nnc(N3CCN(c4ccc(C#N)cn4)CC3)n2CCCC(=O)N(C)C)cc1 1697377137 IEQUVRBWKQZSAD-UHFFFAOYSA-N 474.569 2.415 30 10 JEEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CCc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1705561453 QJUYYDFSLXTPBF-ZJSXRUAMSA-N 490.601 2.327 30 10 JEEE C#CCN(c1nnc(-c2ccccc2F)n1CCCNC(=O)c1occc1C)[C@@H]1CCS(=O)(=O)C1 1705563699 CVTDDNXUQYRVJS-GOSISDBHSA-N 499.568 2.432 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1CCCOc1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1705564162 MDJMTTCIEVSYKC-HXUWFJFHSA-N 481.578 2.445 30 10 JEEE C#CCN(c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@H](CC)OC)[C@@H]1CCS(=O)(=O)C1 1705567631 ZJOMZRPSBQMDPX-NHCUHLMSSA-N 468.583 2.183 30 10 JEEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2Cc2ncnn2C(C)(C)C)CC1 1705640638 ZHLADTDRSPTIHE-UHFFFAOYSA-N 454.529 2.297 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@]2(O)CCO[C@H]2C)CC1 1705645118 LGDCWHGUKHZCIN-RPPIVITFSA-N 485.560 2.063 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CC2CCN(C(C)=O)CC2)CC1 1705649568 BZSCTDKKDXRPAQ-UHFFFAOYSA-N 480.588 2.232 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CC[C@](C)(O)c2ccccc2)CC1 1705652485 AYFDTNHHMXFEIJ-BWKNWUBXSA-N 451.571 2.393 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(C(=O)NC)CC1 1705705311 GGXGXJUZSMVWJN-YLJYHZDGSA-N 472.615 2.213 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CCN(C)C1 1705716588 OVYZQSOHZYQPLK-MBSDFSHPSA-N 464.611 2.056 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(Cn2cncn2)CC1 1705722310 FSBNNVXXZGALTE-UHFFFAOYSA-N 470.603 2.280 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCCN(c2nccc(OCC)n2)CC1 1705736794 CPLVCMUILOPLPB-LJQANCHMSA-N 457.579 2.280 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCCS(=O)(=O)C1 1705877788 DJTFKJQODNTIML-PMACEKPBSA-N 457.600 2.289 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCCN(C(=O)C2CC2)CC1 1705910501 DMSYNCYMRKUKSA-UHFFFAOYSA-N 466.586 2.478 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(OC)c(O)c2)C1 1705914364 MPRXKCBLOPQHGT-KRWDZBQOSA-N 450.499 2.469 30 10 JEEE CC[C@@H](C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1708621057 CYWURMRFROMOMF-CTNGQTDRSA-N 465.602 2.280 30 10 JEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 1722316074 ARVCYIGBGQSURS-SFTDATJTSA-N 489.646 2.069 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CCCc1nc(C)no1)[C@H]1CCS(=O)(=O)C1 1722358811 GFFSSVCKFUWTNF-FQEVSTJZSA-N 468.583 2.458 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1Cc1ccc(C)cc1OC)[C@H]1CCS(=O)(=O)C1 1722359978 YKNVEJGUWJPMBC-FQEVSTJZSA-N 487.626 2.189 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H](C)OC)[C@H]1CCS(=O)(=O)C1 1722363820 VVNJAYVCIITCIH-HOCLYGCPSA-N 452.964 2.269 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CC(=O)NC1CCCCC1)[C@H]1CCS(=O)(=O)C1 1722364358 ZCEJFFANLSQJSQ-FQEVSTJZSA-N 485.610 2.029 30 10 JEEE C#CCN(c1nnc(C2CCCC2)n1Cc1ccc(S(C)(=O)=O)cc1)[C@H]1CCS(=O)(=O)C1 1722369020 UZTCHHOPIIBAQT-IBGZPJMESA-N 476.624 2.014 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2COc3ccccc3O2)n1CCS(=O)(=O)CC1CC1 1722397378 PWELLUVAYJUPPF-NRFANRHFSA-N 454.552 2.078 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2CSCCS2)CC1 1722443301 GGYRHAFSCHQRNY-XXBNENTESA-N 493.699 2.133 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1722500414 MBOFBVWYJYDLDA-FYYLOGMGSA-N 489.642 2.448 30 10 JEEE C=C(Cl)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1722545521 HVPWNSJQYDNHCV-WBVHZDCISA-N 469.995 2.188 30 10 JEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1722739868 YERVIOURAWXKGL-HZPDHXFCSA-N 452.606 2.175 30 10 JEEE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3cccc(C#N)c3)n2CC2([S@](C)=O)CCC2)C1 1722753642 FCCGVGLMFKHZQP-WHUARKNTSA-N 454.600 2.423 30 10 JEEE Cc1cc(C)n(Cc2nnc(N(C)C[C@@H](C)C#N)n2Cc2ccccc2CN2CC[C@H](O)C2)n1 1725928073 GVJDKEJJWNZBBA-MBSDFSHPSA-N 462.602 2.351 30 10 JEEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCC[C@@H]2C)C[C@@H]1C 1730798885 HDUQBXOLMZZEMY-ZYLNGJIFSA-N 468.602 2.437 30 10 JEEE C#CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1Cc1ccc(C(N)=O)nc1 1740602812 WFWFSFXLDFUZDR-UHFFFAOYSA-N 455.316 2.328 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CN(CC(C)C)CCO1 1740644569 LUDJEQCFDUAVKH-BHIFYINESA-N 484.645 2.478 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H]2CC(=O)N(c3ccccc3)C2)CC1 1740689740 ZUUCDFVOXFGOCQ-HXUWFJFHSA-N 477.613 2.005 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCN(C)Cc2ccccc2)CC1 1740706429 XPCQNIRNBUXDME-QHCPKHFHSA-N 464.614 2.270 30 10 JEEE C=C(C)COCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1740794557 CUYPCIHESPHEIZ-OAQYLSRUSA-N 482.633 2.349 30 10 JEEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CCc2ccccc2)CC1 1740801896 HEGOHQGEOZNCTA-KRWDZBQOSA-N 453.012 2.006 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(c2ncccc2C#N)CC1 1740964464 PHODDBVFZWAUPV-UHFFFAOYSA-N 486.580 2.369 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(c2ccccc2CO)CC1 1740966285 RJRJMAUUXNXUAX-REWPJTCUSA-N 469.586 2.181 30 10 JEEE CC1CCN(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)Cc2ccc(C#N)cc2)CC1 1743190943 FVZXVNGPXLECTB-GOSISDBHSA-N 459.620 2.128 30 10 JEEE CC[C@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCNC(=O)c1ccco1 1743753127 IBISNCVHZKWIQH-DLBZAZTESA-N 463.546 2.191 30 10 JEEE CNC(=O)[C@@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(N(C)C)CCSC2)C1 1748129386 AOCSJLMDSKLNJZ-GOTSBHOMSA-N 453.616 2.216 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@](C)(O)[C@@H](C)CC)c1 1748692940 SPQBNDMGLSIFDK-UXSWERMXSA-N 452.559 2.083 30 10 JEEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2cc(OC)c(OC)c(OC)c2CC1 1748747036 BLPUHCPOLHTDAD-SFHVURJKSA-N 453.543 2.274 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H](C)N(C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1748812632 YIHDUFFLRHGKPC-SIKLNZKXSA-N 464.595 2.492 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCc1cn[nH]c1 1748886833 MWXMGKDLUVFRJV-UHFFFAOYSA-N 454.538 2.494 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@H](C)N1CCOCC1 1748887072 RPJZGYSLXYYDKS-OAQYLSRUSA-N 487.608 2.249 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1748888132 OHCPNQSZYFYXHQ-MOPGFXCFSA-N 454.575 2.339 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)[C@H](C)CCC)CC1 1749011122 VMPQOWDCBUDAGK-LJQANCHMSA-N 475.597 2.335 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCCC(C)(C)C1 1749158763 LWCKAKMPDJPUQR-LJQANCHMSA-N 468.668 2.135 30 10 JEEE COC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1)OC 1749343816 CAYXBUDTZHCSSQ-XZOYJPPVSA-N 471.558 2.164 30 10 JEEE C=CCN(c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](COC)OC)C1CC1 1749518901 ANHMGIRXWNPVLX-QZTJIDSGSA-N 451.568 2.403 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC(C(=O)NC)CC1 1749724394 IPJBHDMUHOJLPJ-INIZCTEOSA-N 479.578 2.120 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1749735830 AXOQISSHDQCGOU-UHFFFAOYSA-N 471.505 2.213 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1749737018 WGLLTLXPCHYALB-SFHVURJKSA-N 477.606 2.302 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1750060344 GPGZIFBQXCYPJS-QEEYODRMSA-N 467.979 2.217 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCc1ccc(Cl)cc1 1760154972 MRKVUUMAHCEWCJ-LJQANCHMSA-N 466.007 2.357 30 10 JEEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1760155259 UQYMKMBYYXEZCL-QZTJIDSGSA-N 481.619 2.013 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCc1ccc(F)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1760188205 NJSPGOKMDIEGEX-QZTJIDSGSA-N 464.538 2.320 30 10 JEEE C#CCN(c1nnc(C2CCC2)n1CC(F)(F)C1(OC)CCOCC1)[C@H]1CCS(=O)(=O)C1 1760188242 NYJXOFSLLQHTGQ-KRWDZBQOSA-N 472.558 2.003 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H](C)Oc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1760188611 POZWBPWESODSQA-NLWGTHIKSA-N 476.574 2.405 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCc1ccc(OC)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1760193144 VBXWEAAXWUSMRJ-YLJYHZDGSA-N 462.547 2.147 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1C[C@H](c1ccc(C)cc1)N1CCOCC1 1760208562 VTYSYYIDDYTDOL-XMMPIXPASA-N 474.609 2.359 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(N2CCOCC2)c(F)c1 1760242402 BPBWCUOFLYZIGF-UHFFFAOYSA-N 493.543 2.035 30 10 JEEE C=CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1760428320 TYNMSWADYHBMNU-RTBURBONSA-N 489.621 2.499 30 10 JEEE C=CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CC1(SC)CCN(C)CC1 1760503669 MUWLSEURARRWJO-UHFFFAOYSA-N 462.620 2.472 30 10 JEEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CC(C)(C)OC(C)(C)C1 1760521406 RUQAMGQBVUBROB-UHFFFAOYSA-N 451.531 2.290 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H]1C 1760554804 NCFKYINQFFHHHN-SJORKVTESA-N 469.608 2.176 30 10 JEEE CCO[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2Cc2cc(OC)c(OC)c(OC)c2)CCOC1 1765878930 BSSUTSFDVXYRCO-XZOQPEGZSA-N 475.521 2.446 30 10 JEEE CCn1cccc(Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CCO[C@@H](C#N)C2)c1=O 1766970692 CBYLMNFRBYRPHD-OALUTQOASA-N 483.573 2.309 30 10 JEEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCC(C#N)CC3)n2C[C@](C)(O)C2CC2)c1 1768523276 FOCQCOYEDQROQR-QFIPXVFZSA-N 458.588 2.096 30 10 JEEE CN(CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCc2nn(C)c(=O)cc2C1)CC(F)(F)F 1768885308 GUCGSTJQEZTMRE-UHFFFAOYSA-N 486.502 2.357 30 10 JEEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc([N+](=O)[O-])cc1 1862737785 LXWWQUGBOGIROO-SFHVURJKSA-N 454.395 2.217 30 10 JEEE Cc1cc(OCC(=O)Nc2c(C#N)nnn2-c2ccc3c(c2)C(=O)N(C)C3=O)ccc1Cl 1870145428 ZKJNPCXRTJMIIB-UHFFFAOYSA-N 450.842 2.344 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)N(C)C[C@@H]2CCCO2)cn1CCCn1ccnc1 1870544541 BMZCUTQCDVDIOV-QHCPKHFHSA-N 483.613 2.325 30 10 JEEE C#CCOc1cn(CCNC(C)=O)c(CNc2ccc(I)cc2)cc1=O 1871010414 LPVYFIDBGPPFCR-UHFFFAOYSA-N 465.291 2.213 30 10 JEEE COc1cc(OC)c(OC)cc1/C=N/n1c(COCc2ccccc2)nnc1SCC(N)=O 1874353982 LNBFCOFVLCWYSD-BHGWPJFGSA-N 471.539 2.480 30 10 JEEE CC1(C)OB(C=CCNS(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)OC1(C)C 1991326568 ICPBMCQBIYSDPT-OAQYLSRUSA-N 466.340 2.118 30 10 JEEE CC(C)(C)OC(=O)N1CSC[C@@H]1C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2248420534 WALGJAGTUAFMQE-CYBMUJFWSA-N 455.411 2.369 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](NC(=O)c2scc(B3OC(C)(C)C(C)(C)O3)c2Cl)C1 2255600926 UWBUUDOYPZYQOP-STQMWFEESA-N 472.800 2.411 30 10 JEEE CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1CNC(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2266999929 QKNPOKNXIBNNLO-HNNXBMFYSA-N 465.425 2.328 30 10 JEEE C[C@@H]1CN(Cc2ccccc2)CCN1S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2267473122 AJMDXYQVMFBLPF-QGZVFWFLSA-N 477.461 2.478 30 10 JEEE COC1(CCNC(=O)OC(C)(C)C)CN(C(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)C1 2267561926 WEOYFZUQZUNLRQ-UHFFFAOYSA-N 450.341 2.335 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2C[C@H]3C[C@@H](C2)[C@H](NC(=O)OC(C)(C)C)[C@H]3CO)C1 2281229028 UJLFFAHPXCLTCN-NSIWNYSKSA-N 477.602 2.273 30 10 JEEE CC1(C)OB(c2nscc2C(=O)NC[C@@]23CN(Cc4ccccc4)C[C@H]2CCO3)OC1(C)C 2282006529 VTERNJDGZQCJOP-HOYKHHGWSA-N 469.416 2.463 30 10 JEEE CCn1cc(C(=O)N=[S@@]2(=O)CC[C@H](NC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2282042520 COOJITLFYBXUJY-RPLXOIEJSA-N 482.412 2.107 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O 2282135152 ALACLTQJRDWLLP-VQIMIIECSA-N 460.380 2.252 30 10 JEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn1C 2282190500 HRQLFARYLWPNDV-FUHWJXTLSA-N 463.384 2.079 30 10 JEEE Cc1nc(S(=O)(=O)N2CC[C@H](COCc3ccccc3)C2)c(B2OC(C)(C)C(C)(C)O2)n1C 2282504732 SUCLFURCPFZZOV-IBGZPJMESA-N 475.420 2.255 30 10 JEEE CCON(C(=O)c1nn(C)c(Cl)c1B1OC(C)(C)C(C)(C)O1)C1CN(C(=O)OC(C)(C)C)C1 2282549159 GKKWMZWFPZILKL-UHFFFAOYSA-N 484.790 2.386 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1[C@@H]2C[C@H]2CN1C(=O)OC(C)(C)C 2282600133 VTSGKMCIBDVDLP-ARFHVFGLSA-N 460.384 2.013 30 10 JEEE CN(C[C@@H]1CCCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)C1)C(=O)OC(C)(C)C 2282627870 KFXMTAHEPWTCPD-INIZCTEOSA-N 462.400 2.438 30 10 JEEE CC(C)(C)OC(=O)N1CC2(CC(CNC(=O)c3ncncc3B3OC(C)(C)C(C)(C)O3)C2)C1 2282693163 JUUJFLJUGZEPLR-UHFFFAOYSA-N 458.368 2.153 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@]2(NS(=O)(=O)Cc3ncsc3B3OC(C)(C)C(C)(C)O3)C[C@H]2C1 2282839565 FZAXYBYBNNSLQP-QKKBWIMNSA-N 499.464 2.261 30 10 JEEE CCOC1(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)CN(C(=O)OC(C)(C)C)C1 2284067625 PBIJFXNSTMDEDM-UHFFFAOYSA-N 465.331 2.484 30 10 JEEE C[C@@H](O)CN(CCNC(=O)OC(C)(C)C)C(=O)c1cccc(F)c1B1OC(C)(C)C(C)(C)O1 2285412860 JVYXPZNCJFNNLG-OAHLLOKOSA-N 466.359 2.473 30 10 JEEE CCOc1ccc([C@@H]2C(=C(O)c3ccco3)C(=O)C(=O)N2CCN2CCOCC2)cc1OC 2296124634 MJXSLKFHXXXKGB-OAQYLSRUSA-N 456.495 2.441 30 10 JEEE CN[C@@H](C#CC(C)(C)S(C)(=O)=O)CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1 2301492838 AEXQXZBVUWCUPJ-FQEVSTJZSA-N 451.633 2.428 30 10 JEEE Cc1scc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2O)c1B1OC(C)(C)C(C)(C)O1 2343512401 UEXNWGBKJHCABR-CVEARBPZSA-N 466.409 2.456 30 10 JEEE C[C@@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)Nc1cc(F)c(F)cc1B1OC(C)(C)C(C)(C)O1 2351772134 WJVQXDQBKDBCGP-BZNIZROVSA-N 456.295 2.477 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)n1C 2362492352 BDJXHUMBSQPOQB-NPMXOYFQSA-N 460.384 2.015 30 10 JEEE C=CCn1c(=O)c2ccc(C(=O)NC(C)C)cc2n2c(=O)n(CC(=O)Nc3ccc(C)cc3)nc12 64581518 XHAPVQMYTDWJTO-UHFFFAOYSA-N 474.521 2.082 30 10 JEEE CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)o2)c(=O)n1-c1ccccc1C 254620792 XNAUKBUFPXUPSS-UHFFFAOYSA-N 451.548 2.155 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)C[S@](=O)Cc2cc(=O)c(OCCC)c[nH]2)nc1C 526899967 CASVTOLSHDGDEA-SSEXGKCCSA-N 453.542 2.159 30 10 JEEE C=CCNc1nc(C(=O)OCC(=O)N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)cs1 749456455 HHKKZLOVEASYHC-RIYZIHGNSA-N 476.580 2.043 30 10 JEEE C#CCN(CC(=O)O)C(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C)OC 757549233 KWWPYARZIFWBML-WAIKUNEKSA-N 450.491 2.475 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)Nc3cc(F)ccc3C(=O)N[C@H](C)C(=O)OC)cc2C1=O 1127312741 YONVJHCTJRKELL-GFCCVEGCSA-N 453.426 2.151 30 10 JEEE C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)NCc2nn[nH]n2)ccc1Cl 1136627672 UTXVBBGTVSHWHL-UHFFFAOYSA-N 450.883 2.304 30 10 JEEE CN(C)C(=O)CN1[C@H]2CC[C@H]1CC(NC(=O)N1CCN(c3ccc(C#N)cc3Cl)CC1)C2 1248556060 HGLVPGFMYXYNMA-OALUTQOASA-N 458.994 2.127 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCN1CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1286389593 MWNVWOQWPRFOKE-UYAOXDASSA-N 456.616 2.007 30 10 JEEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCNC(=O)OC(C)(C)C 1286432007 VMBKCHSVERNOAE-UHFFFAOYSA-N 478.601 2.440 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2csc(CCc3ccccc3)n2)CC1 1286469769 KUTALHNPHFLJTF-UHFFFAOYSA-N 477.638 2.462 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(NC(=O)N(C)C)cc1 1286516185 CZXDPHCETXVMPK-OPAMFIHVSA-N 473.603 2.022 30 10 JEEE C=C(C)COCCn1c(C2CCC2)nnc1N1C[C@@H]2[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1286611233 HAOJJINTHIWBHJ-CEXWTWQISA-N 495.646 2.265 30 10 JEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)Oc1cccc(F)c1)C1CC1 1286736421 DZVXKOVKAVZDTG-OXJNMPFZSA-N 479.578 2.372 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCO[C@H]1CCCC[C@@H]1C)C1CC1 1286736673 HQPONBADIZNGQP-IHPCNDPISA-N 467.636 2.361 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](C)c2nc(C)cs2)C1 1286800726 PTESPTDVHUYHIA-FVQBIDKESA-N 454.622 2.238 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(Cc2ccccc2)C[C@H]1C 1286821035 YRBLLPCRMDIXQS-TZIWHRDSSA-N 459.616 2.094 30 10 JEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@H]1c1ccc(O)cc1 1286824330 YFZWKMYKHBEBBB-IBGZPJMESA-N 459.572 2.048 30 10 JEEE C=CCSCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@H](C(N)=O)C1 1286825012 DWODZJSJOKMYSC-INIZCTEOSA-N 477.660 2.168 30 10 JEEE Cc1cccc(C(=O)NCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(CC#N)CC2)c1 1289889652 GXOWNRUEVLWQDL-HXUWFJFHSA-N 470.599 2.049 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(F)cc2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1300325004 QNROVUHXWCVNCG-NQIIRXRSSA-N 456.566 2.397 30 10 JEEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 1300409578 ISGKCFLQJMOQGB-BDTNDASRSA-N 456.635 2.402 30 10 JEEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1300422108 FLUQSSVHGVKESG-UHFFFAOYSA-N 475.597 2.277 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCN1CC=CCC1)[C@H]1CCS(=O)(=O)C1 1300484462 PTODNVBPMRRBLV-FPOVZHCZSA-N 487.601 2.446 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1Cc1ccc(OC)nc1)[C@H]1CCS(=O)(=O)C1 1300489278 LHLLBDKEJDXLHJ-IBGZPJMESA-N 451.552 2.332 30 10 JEEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1CC(=C)Br)[C@@H]1CCS(=O)(=O)C1 1300504851 UQRMLIXMNMLZTN-MRXNPFEDSA-N 495.399 2.401 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1CCCCS1(=O)=O 1300535612 KOFUULAICBQUBO-UXHICEINSA-N 489.642 2.433 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2sccc2C)n1 1300681024 JZHHCQSFCBXWIZ-SFHVURJKSA-N 488.639 2.081 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2Cc2cccc(Br)n2)CC1 1300703625 NCAMODHLGWUNTD-UHFFFAOYSA-N 452.360 2.225 30 10 JEEE C#CCSCCn1c(-c2ccc3ccccc3n2)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1300750799 CEKPKYLIQVWRHF-IBGZPJMESA-N 465.604 2.486 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 1300892770 VJBJDIVDFQXCGA-AUSIDOKSSA-N 487.626 2.422 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](COC)C1 1300893392 YPNJOGRNOGXPKV-HLIPFELVSA-N 461.588 2.102 30 10 JEEE C=CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC(NC(=O)COC)CC1 1301452015 HSSQBOSFUIYXOH-KRWDZBQOSA-N 462.595 2.310 30 10 JEEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1301474243 WSXCSGXBQHJRJB-ZWKOTPCHSA-N 460.579 2.364 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CCC[C@@H](CC(N)=O)C1 1301484367 GJSYMULBSKYTLG-AWEZNQCLSA-N 491.390 2.110 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCCN(C(=O)c2cccc(F)c2)CC1 1301491467 RJPUVWZUHUFISE-UHFFFAOYSA-N 463.517 2.134 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCC(O)(C(F)(F)F)CC1 1301576548 DLHVWIOJXJEUPM-UHFFFAOYSA-N 474.505 2.448 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1301586752 ISOCWUQZCPNERC-GOSISDBHSA-N 479.578 2.324 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@@H](NC(C)=O)C1 1301586974 LBOWEHFXJBCEGE-LJQANCHMSA-N 466.007 2.228 30 10 JEEE CC(=O)N1CCC[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(N(C)C(C)=O)CC2)C1 1301686106 DHZYWSUSILBEQK-QFIPXVFZSA-N 493.612 2.434 30 10 JEEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@H]1CN(CC(C)C)CCO1 1358952087 XLVMAXCONQRJRL-RUZDIDTESA-N 479.673 2.069 30 10 JEEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(C(C)C)CC1)[C@H]1CCS(=O)(=O)C1 1358957226 RICHWJOOFPDBDU-WMZHIEFXSA-N 464.632 2.382 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1CC(C)(C)c1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1358961404 YIMGPGVOSCYDGW-IBGZPJMESA-N 468.558 2.479 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H](c1ccccc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1358965048 MXWJVVSETNXKDC-PKTZIBPZSA-N 478.622 2.194 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1CCCNc1ccccn1)[C@@H]1CCS(=O)(=O)C1 1358965467 VNSLRFGBLDBRGH-LJQANCHMSA-N 470.624 2.454 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1nncn1CC 1358977369 KTWJPKNJQRPCOM-SFHVURJKSA-N 452.563 2.125 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)CC1 1359039676 RCBSUXRHSFYAEZ-YMPZKCBVSA-N 496.631 2.435 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1359102774 FQZPCHFAVXVGSU-YLJYHZDGSA-N 498.550 2.277 30 10 JEEE C=CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC(C(=O)NCCCOC)CC1 1359283675 LRVZWRXRAXPXDW-UHFFFAOYSA-N 489.646 2.102 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC=C(C)CC2)cc1 1359308158 FYFDKLZZSOCSMV-NRFANRHFSA-N 473.599 2.381 30 10 JEEE C[C@@]1(C(N)=O)CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2nccn2C(F)F)C1 1360796880 GDGBRXZXXAVFMZ-OAQYLSRUSA-N 456.457 2.070 30 10 JEEE C[C@@H](CC(=O)NC(C)(C)c1cn(-c2ccccc2)nn1)/N=C1/NS(=O)(=O)c2ccccc21 1445608648 AZBJMSZMXILUSG-HNNXBMFYSA-N 452.540 2.136 30 10 JEEE Cc1ccc(OCc2nnc(N(CCC#N)CC3CC3)n2CC(=O)N2CCOCC2)cc1C 1492336309 DZDNWLBNIRYKCL-UHFFFAOYSA-N 452.559 2.463 30 10 JEEE COc1ccc(C(C)(C)Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@H](C)C#N)cc1 1504143940 BCDXCSTUMWYONF-YLJYHZDGSA-N 490.630 2.193 30 10 JEEE C#CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(C(=O)NC)CC1 1507554821 YYWIIDCTRNTPFZ-UHFFFAOYSA-N 457.966 2.126 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC[C@@H](C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1507623130 OVLDEJUAFXNMJM-UYAOXDASSA-N 457.600 2.237 30 10 JEEE C#CCN1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCCSCC)CC1 1507731487 JUAMMBBPHBRCBN-UHFFFAOYSA-N 454.648 2.351 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2CCCCC(F)(F)C2)CC1 1507738306 MNCCFCLDQNSPFJ-FUHWJXTLSA-N 462.545 2.411 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2cc(COC(C)(C)C)on2)CC1 1507739105 MSYLKGGHUSEXPB-SFHVURJKSA-N 470.574 2.099 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1CCCCN1CCN(CC)CC1 1507762429 YXLZAURSSJNBTF-JWQCQUIFSA-N 458.651 2.340 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1507791878 SYDRFFMRRMEHIB-PXNSSMCTSA-N 496.678 2.038 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1507801409 VCQZJJUILNJEJY-BMFAXAFESA-N 460.579 2.314 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1507803370 BIDFDQILAOWKNN-WIOPSUGQSA-N 498.676 2.111 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2c(F)cc(F)cc2C1 1507831624 BSNITBKWIVVXOV-GOSISDBHSA-N 453.515 2.028 30 10 JEEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 1507842718 KVYHWZUEHBXQEC-NHCUHLMSSA-N 482.633 2.145 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccc(OCC(=O)N(C)C)c2)CC1 1507906547 LPJWKYRVHPPQNG-HXUWFJFHSA-N 452.559 2.147 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1507914558 KNDDCZZUUCDFFF-SFHVURJKSA-N 452.559 2.500 30 10 JEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1507954989 TYARVYUYKDWBTP-HOTGVXAUSA-N 481.541 2.125 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1508104521 JHDUBVYHEUKGCT-NBKVCPGTSA-N 475.615 2.099 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CC[C@H](C)[C@H]1C 1508144258 SOIJNIMSXAIOOF-FCHUYYIVSA-N 486.686 2.478 30 10 JEEE C=CCSCCn1c(-c2ccc[nH]2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1508152702 AHEWJSRTTXHQOT-UHFFFAOYSA-N 471.631 2.133 30 10 JEEE CC(C)(C)NC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCCS2(=O)=O)CC1 1508621737 DAXCUUWPDQQXFN-HXUWFJFHSA-N 499.641 2.414 30 10 JEEE C[C@@]1(C#N)CCCN(c2nnc(CNC(=O)c3cccs3)n2CC(=O)NCC(F)(F)F)C1 1510289931 GAJOPNIMLZOGKS-SFHVURJKSA-N 469.493 2.078 30 10 JEEE CCN1CCN(CCCn2c(COc3ccccc3F)nnc2N2CC[C@@](F)(C#N)C2)CC1 1515946680 HTHDKJGRQKKFTJ-HSZRJFAPSA-N 459.545 2.466 30 10 JEEE COc1ccc(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CC[C@](F)(C#N)C2)cn1 1518264761 DBYJSNRXVXUJBA-NRFANRHFSA-N 456.503 2.242 30 10 JEEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@@H](C)c1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 1539229819 IQNVIHIZOPTXOO-CTNGQTDRSA-N 469.611 2.139 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCCn2ccc3ccccc32)CC1 1539467750 YTOLYAITNBDZOB-UHFFFAOYSA-N 475.597 2.427 30 10 JEEE C=C(C)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1539714403 HSFODOUYEZWUBG-JOCHJYFZSA-N 472.659 2.232 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2([S@@](C)=O)CC2)C1 1540886288 ZKBUFYCVWGNJDP-BJLXPSRBSA-N 464.613 2.041 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(F)cc2Br)nnc1N1CCOCC1 1540899929 FJDJHSTYCGWLKI-UHFFFAOYSA-N 459.341 2.284 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(c2ccccc2OCC)CC1 1540903784 HXNYVTWDSQUCMB-IBGZPJMESA-N 475.615 2.108 30 10 JEEE CCN1CCN(C[C@@H](C)Cn2c(COc3ccc(C)c(C)c3)nnc2N2CCO[C@@H](C#N)C2)CC1 1547730240 DFKWTICEQYNMSG-YKSBVNFPSA-N 481.645 2.476 30 10 JEEE COCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1555524330 DDZOJBKFVLAPJS-UHFFFAOYSA-N 493.534 2.290 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2CCc2scnc2C)c1 1587697593 UQJIKMGJADMFFZ-UHFFFAOYSA-N 477.594 2.464 30 10 JEEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](c2noc(C)n2)C1 1587719318 ZKBRXADSNKWHBB-IBGZPJMESA-N 470.555 2.421 30 10 JEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CC1CN(C(=O)OCc2ccccc2)C1 1587856089 GQQUFQBWEUCTQL-OAQYLSRUSA-N 485.610 2.298 30 10 JEEE C#CCN(c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H](OC)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1588051149 ZWIQYNAMJVUFIL-APWZRJJASA-N 498.609 2.282 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@@H](C)CN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1588064227 DMAHDDYJIZNLSK-GHTZIAJQSA-N 490.699 2.383 30 10 JEEE CC(=O)N1CCc2c(sc(NC(=O)c3cnn(C)c3I)c2C#N)C1 1588070181 NXYGRRBZMCYTAM-UHFFFAOYSA-N 455.281 2.115 30 10 JEEE C#CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1589053828 VGJWKANZAHTJNS-KRWDZBQOSA-N 495.609 2.318 30 10 JEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1 1589060686 WRVFVOQSEWXWBE-SFHVURJKSA-N 473.002 2.211 30 10 JEEE C=C(Br)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)CC(=O)NC(C)(C)C 1589347248 KWLKFCBDDADBOW-UHFFFAOYSA-N 474.367 2.180 30 10 JEEE C=CCCOCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1594803508 WCSFWMAGMMKXCF-IBGZPJMESA-N 485.614 2.194 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N(C)CCc1cnccn1 1595497193 SRSQRRUNDIKZBP-UHFFFAOYSA-N 456.348 2.479 30 10 JEEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCCO[C@H](C)C1 1595543955 CLJFRLRXASSLHR-QGZVFWFLSA-N 462.595 2.310 30 10 JEEE COc1ccc(CCn2c(Cn3nc(C)cc3C)nnc2N2CCO[C@H](C#N)C2)c(OC)c1 1619252898 AHXQYHFQLKRLCJ-HXUWFJFHSA-N 451.531 2.128 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)nc2)s1 1626640271 KBMMKWBCLVCIIF-HUUCEWRRSA-N 450.586 2.402 30 10 JEEE C#CCN1CCCN(C(=O)[C@H](CCSC)NC(=O)c2ccccc2Br)CC1 1629536920 JEBIUWHMOLSDHO-SFHVURJKSA-N 452.418 2.468 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@H](C)Oc1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 1689988127 JULBXPBCSCIJAI-AZUAARDMSA-N 468.583 2.081 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1ccc(OC(C)C)nc1)[C@@H]1CCS(=O)(=O)C1 1689989332 DHMLXLIBWMSIQG-UXHICEINSA-N 473.599 2.377 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1cccc(CN(C)CC)c1)[C@H]1CCS(=O)(=O)C1 1689991278 ZCUVNKHNRZKCBD-PKTZIBPZSA-N 485.654 2.299 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@H](c1ccc(F)cc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1689994278 VKZUXUXCGGKQRG-XZOQPEGZSA-N 496.612 2.333 30 10 JEEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](Oc2ccccc2)C1 1690345741 CDAABWOCTSWHMA-RTBURBONSA-N 482.006 2.411 30 10 JEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](COC(C)C)C1 1690644307 CWNKZWATUJVMBK-ROUUACIJSA-N 451.568 2.403 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)c2cccs2)C1 1690700769 XOGZZWXOGZIIBQ-QZTJIDSGSA-N 495.671 2.432 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCNC(=O)C2CC2)C1 1690714059 CXIOOMMFXBBYEO-CEXWTWQISA-N 474.606 2.356 30 10 JEEE Cc1ccsc1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@H](C#N)C1 1692937218 DGHJFCXQGFWJQD-QGZVFWFLSA-N 472.596 2.342 30 10 JEEE CO[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1)C(C)C 1697156731 CMYMGZFSUKBSSK-OAQYLSRUSA-N 474.569 2.308 30 10 JEEE C#CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1705531026 VWYQQWRGAYKTKZ-UHFFFAOYSA-N 482.404 2.211 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)c1ccc(OC)cc1 1705533791 ZWODAUHJPWDZIG-YLJYHZDGSA-N 461.588 2.230 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCc1c(F)cccc1F)[C@H]1CCS(=O)(=O)C1 1705567801 ZWBRYFCAFRAABJ-IRXDYDNUSA-N 464.538 2.320 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(C3CCCC3)n2C[C@H]2CCCS(=O)(=O)C2)n1 1705631341 AYFPQOABNBANJU-LJQANCHMSA-N 474.631 2.243 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@@H](C)N2CCc3ccccc32)CC1 1705635328 WEXFSLKRLXYFIW-NHCUHLMSSA-N 452.603 2.209 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2CCN2CCOC(C)(C)C2)CC1 1705649510 ALXFFCRLACNUEY-UHFFFAOYSA-N 478.641 2.254 30 10 JEEE C=CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1705886537 CTMHPQUUDFHFTP-UHFFFAOYSA-N 484.601 2.291 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1705933439 HGHIFUDBRMRHGL-UHFFFAOYSA-N 490.630 2.185 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1cn(CCCC)nc1C)[C@@H]1CCS(=O)(=O)C1 1722364978 JUCIFHZRZMGLRF-JOCHJYFZSA-N 481.626 2.244 30 10 JEEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1ccc(N(C)C)nc1 1722386270 ZKTKASQXKUEZHO-UHFFFAOYSA-N 482.636 2.225 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(COC(C)(C)C)c1 1722413365 MAXNPWNJWXTFQX-NRFANRHFSA-N 489.642 2.434 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC1CCN(C(C)=O)CC1 1722419375 ZFISLMZCLXGENF-UHFFFAOYSA-N 466.586 2.492 30 10 JEEE C=C(Br)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(CC(=O)NCC)CC1 1722479095 BJKKAMQRUVOORS-UHFFFAOYSA-N 493.406 2.129 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccc(C)c(C)c2)CC1 1722523573 ZARIPWHIXHGLOX-OAQYLSRUSA-N 474.631 2.131 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCc1ccc(NC(C)=O)cc1 1727230087 HHGHOERCBQYZRB-HXUWFJFHSA-N 453.547 2.126 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@]1(OC)CCOC1 1740547530 XAPVAYKMHWMJRD-OSPHWJPCSA-N 450.543 2.499 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@]1(OC)CCOC1 1740547531 XAPVAYKMHWMJRD-XDHUDOTRSA-N 450.543 2.499 30 10 JEEE C#CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@H](C)O[C@H](COC)C1 1740576425 XAWMJKSLXNJHTM-FPOVZHCZSA-N 453.591 2.496 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccccc3Br)n2CC2CCS(=O)(=O)CC2)CC1 1740694135 ZMSZYLUAGXORFU-UHFFFAOYSA-N 492.443 2.288 30 10 JEEE C#CCN1CCN(c2nnc(CC3CCCC3)n2CCNC(=O)Cc2cccc(F)c2)CC1 1740698652 JDMMHXDCAPTSQE-UHFFFAOYSA-N 452.578 2.264 30 10 JEEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOCC)[C@H](CC)C1 1740745611 ZJOWWRMHHIXAPR-DLBZAZTESA-N 490.468 2.026 30 10 JEEE C=CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1740875548 FPFLDBHZEJPOIC-UHFFFAOYSA-N 481.649 2.065 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@@H](n2cncn2)C1 1740985558 IMGUZSNYCNEGIQ-HXUWFJFHSA-N 498.613 2.181 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CCCS(=O)(=O)C1 1748689880 JJRUADLWKZKOFB-XWTMOSNGSA-N 465.620 2.332 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1CCCOC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1748820990 KYPHXFBNLONCMY-HNNXBMFYSA-N 462.519 2.484 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC(=O)NCC(F)F)CC1 1748999103 IIEBUSVEDGTUOE-UHFFFAOYSA-N 474.556 2.291 30 10 JEEE C#CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@H](CC(N)=O)C1 1749019848 DQWUGKFNCCHTDN-QGZVFWFLSA-N 475.018 2.320 30 10 JEEE C#CCSCCn1c(N2CCC(C(N)=O)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1749048399 NIMVCBOMNUSURW-CALCHBBNSA-N 462.620 2.117 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C2CCC2)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 1749127394 LKBRBKBIIQICJL-NHCUHLMSSA-N 481.663 2.404 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(C#N)C1 1749368131 BNNVZTACFUYFBM-UTKZUKDTSA-N 450.609 2.343 30 10 JEEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1749433937 ATUUKCUEMYCHAI-QGZVFWFLSA-N 458.588 2.063 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1749650021 HDZFAELXBPQFMC-UYAOXDASSA-N 452.559 2.455 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1749660051 NCKHBABFLNPJQD-DYVFJYSZSA-N 467.448 2.175 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1CC[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1760181027 OMCVYFAVOQHYGC-IEBWSBKVSA-N 474.583 2.016 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1CC[C@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1760190022 NUNIKHPXUILCGI-NHCUHLMSSA-N 472.611 2.463 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1Cc1cc(C)no1)[C@H]1CCS(=O)(=O)C1 1760191614 KPYFVQNAKAYTCE-IBGZPJMESA-N 469.567 2.445 30 10 JEEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1760196088 KMFCVKOQRZPXHE-SQHAQQRYSA-N 477.609 2.006 30 10 JEEE C#CCSCCn1c(-c2ccc3ccccc3n2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1760277934 VNOIZYSLRKUXBH-UHFFFAOYSA-N 491.621 2.033 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2F)CC1 1760316230 ONBFOTTWNNNWNQ-OPYAIIAOSA-N 492.621 2.335 30 10 JEEE C=C(Cl)Cn1c(COc2ccccc2OCC)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1760380258 XEJDGTICYAXQKO-HZPDHXFCSA-N 450.923 2.369 30 10 JEEE C=CCCCCn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1760429095 QWYNXKOZXTULIS-UHFFFAOYSA-N 471.631 2.261 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(=O)N2CCCC2)n1C[C@]1(O)CCO[C@@H]1C 1760475846 WXAMALLBMYUJQV-HOYKHHGWSA-N 455.559 2.255 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1760517297 ITGYKAQHPIRCKC-GDBMZVCRSA-N 463.629 2.057 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2CCCCS2(=O)=O)C1 1760536319 GUWGRSMURZLZLK-DXIQSLLYSA-N 468.620 2.067 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1760557250 FRGANEMQTVPIRS-MZLICYQSSA-N 474.627 2.437 30 10 JEEE C[C@H]1COCCN1CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1763231843 ATIPAEKRPXGAOB-LPHOPBHVSA-N 491.518 2.042 30 10 JEEE CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CN(C)C(C)C)CC1 1767814620 CGNVPKPLACOXGW-UHFFFAOYSA-N 453.591 2.421 30 10 JEEE CCS(=O)(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2ccnc2C)CC1 1768274734 CKHVLMOUZMOITG-UHFFFAOYSA-N 482.614 2.320 30 10 JEEE CNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2csc(COC)n2)C1 1769199114 DJHSWBSLCDRPHB-QGZVFWFLSA-N 451.556 2.430 30 10 JEEE COC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(C(=O)C(C)C)CC1)OC 1769257355 FBAGMCFVXGFEHP-OAQYLSRUSA-N 470.574 2.085 30 10 JEEE CS(=O)(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCC2CCOCC2)CC1 1770342375 BWAINIRNPCEPPS-UHFFFAOYSA-N 472.615 2.495 30 10 JEEE CC(C)[C@H](NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(=O)N1CCN(c2ncccn2)CC1 1868782566 KIMCQOBBAPIQFD-IRLDBZIGSA-N 495.653 2.304 30 10 JEEE C#CCOc1cn(CCN(CC)CC)c(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1=O 1870562234 WQQPEPLJPPZEBI-UHFFFAOYSA-N 480.609 2.249 30 10 JEEE CC(C)c1cc(=O)n2c(n1)SC[C@@H]2CC(=O)N1CCC(COc2nccnc2C#N)CC1 1891369436 KAPZJRRZEADJMA-INIZCTEOSA-N 454.556 2.383 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2124543966 YQHXLECASIREJO-YOEHRIQHSA-N 450.316 2.434 30 10 JEEE CC(C)(C)OC(=O)N1CCC(N(CC(N)=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)CC1 2241032782 XJJNXUUZWQOBAK-UHFFFAOYSA-N 460.384 2.072 30 10 JEEE CC(C)(C)OC(=O)NC[C@H](C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)C1CCC1 2256613604 JRSCNPPWAHGSDT-ZDUSSCGKSA-N 452.386 2.139 30 10 JEEE CN(CC(C)(C)CNC(=O)OC(C)(C)C)C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2267185786 ANDUPOVKYDXQCP-UHFFFAOYSA-N 450.389 2.342 30 10 JEEE CC(C)N(CCNS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)OC(C)(C)C 2267376194 RYBYRRMUDXHJEK-UHFFFAOYSA-N 469.413 2.305 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](CNC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)CO1 2267489177 VJXRUQNDSTUJNW-UONOGXRCSA-N 467.397 2.102 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)[C@H]1C1CC1 2268724684 NWPYEMREPTWZEZ-UONOGXRCSA-N 464.397 2.233 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(CCNC(=O)OC(C)(C)C)C[C@@H](C)O 2269840251 TWQRKRRASUZWCZ-CYBMUJFWSA-N 469.413 2.098 30 10 JEEE COc1ccc(CNC(=O)CON(C)C(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2278699964 KFJJWCLBYLAUIX-UHFFFAOYSA-N 450.341 2.409 30 10 JEEE Cn1nc(C(=O)N2CCC[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)cc1B1OC(C)(C)C(C)(C)O1 2281981570 ODXFWGDWCNQEGS-RDJZCZTQSA-N 460.384 2.191 30 10 JEEE CC(C)(C)OC(=O)N1CC(F)(F)C[C@]1(C)CNC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2281984374 CCWBBPPRJJUYCJ-HXUWFJFHSA-N 470.326 2.474 30 10 JEEE Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H](C)C1(O)CN(C(=O)OC(C)(C)C)C1 2282116382 DSOHJVIDTYVHIZ-INIZCTEOSA-N 460.380 2.394 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C[C@@H]1O 2282192034 RSKBSZFZFINLDU-LZQZEXGQSA-N 460.380 2.380 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](NS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C[C@@H](F)C1 2282292625 XZZJHIFPQFFFTA-CVEARBPZSA-N 485.387 2.007 30 10 JEEE CC1(C)OB(c2cscc2S(=O)(=O)N2C[C@@H]3OCCN(Cc4ccccc4)[C@H]3C2)OC1(C)C 2282497445 PWYGKQQOALFIIN-PMACEKPBSA-N 490.456 2.321 30 10 JEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)O 2282569903 YLQZIGWRMLRNHQ-HNNXBMFYSA-N 464.324 2.033 30 10 JEEE CS[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)c(C)nn1C 2282573820 GEDYMCLGOVLDDR-CABCVRRESA-N 480.440 2.108 30 10 JEEE Cn1nc(C(=O)N[C@H]2C[C@H](NC(=O)OC(C)(C)C)C23CCC3)cc1B1OC(C)(C)C(C)(C)O1 2282623081 CAENKIHSLBAOHI-HOTGVXAUSA-N 460.384 2.285 30 10 JEEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@]3(O)CCCN(Cc4ccccc4)C3)s2)OC1(C)C 2282853451 CYPNDBRFMXTNFD-HSZRJFAPSA-N 492.472 2.353 30 10 JEEE CC(C)(C)OC(=O)N1CCSC[C@@H](NS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282868973 VSXAIIDDZJDWKA-INIZCTEOSA-N 499.464 2.012 30 10 JEEE C[C@@H](NC(=O)C[C@]1(O)CCN(C(=O)OC(C)(C)C)C1)c1nscc1B1OC(C)(C)C(C)(C)O1 2283976677 GYDFQTBQHQENFE-JLCFBVMHSA-N 481.424 2.382 30 10 JEEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)N1CCc2c(cccc2B2OC(C)(C)C(C)(C)O2)C1 2283977079 LMVBJFPZXUCVCL-DNVCBOLYSA-N 460.380 2.145 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@H]1C(=O)N1CCc2ccc(B3OC(C)(C)C(C)(C)O3)cc21 2284044259 YBPIPHHRQAEUTQ-QZTJIDSGSA-N 458.364 2.415 30 10 JEEE CC(C)(C)OC(=O)N[C@H](C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1)[C@@H](O)C(F)(F)F 2284060782 RLSUYBKNJBRJJS-UONOGXRCSA-N 475.273 2.136 30 10 JEEE C[C@H](O)CN(CCNC(=O)OC(C)(C)C)C(=O)c1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2285349076 BJLPXJGCBMUALQ-HNNXBMFYSA-N 466.359 2.473 30 10 JEEE COc1ccc(C=Nn2c(SCC(N)=O)nnc2[C@H]2CC(=O)N(c3ccc(OC)cc3)C2)cc1 2325880545 CYIZGUMFTYOZQZ-INIZCTEOSA-N 480.550 2.275 30 10 JEEE N#Cc1ccccc1S(=O)(=O)N1CC[C@H](C(=O)N2CCN(CC=Cc3ccccc3)CC2)C1 2329699513 NUQFVPFPAKLZAV-QHCPKHFHSA-N 464.591 2.426 30 10 JEEE Cc1cc(NC(=O)[C@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C)cc(B2OC(C)(C)C(C)(C)O2)c1 2360584563 QVZULPTYXWNKQI-KRWDZBQOSA-N 482.408 2.171 30 10 JEEE CC(C)(C)OC(=O)N1CC(C(=O)Nc2cc(Br)ccc2C#N)(S(C)(=O)=O)C1 2379882112 JWYFGTDBPCVZHK-UHFFFAOYSA-N 458.334 2.293 30 10 JEEE NS(=O)(=O)c1ccc(NC(=O)CSc2n[nH]c(N/N=C/c3c[nH]c4ccccc34)n2)cc1 20833014 UXCGTVZPDRXJJL-LSHDLFTRSA-N 470.540 2.110 30 10 JEEE COc1ccc(C(=O)CSc2nnc(N/N=C/c3ccccc3[N+](=O)[O-])n2N)cc1OC 59884679 RESZBOKHMBJVOB-UFFVCSGVSA-N 457.472 2.338 30 10 JEEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cn2)cc1 726171200 XPPITMHAIPFAGI-UHFFFAOYSA-N 499.593 2.303 30 10 JEEE C=CCn1c(S)nc2cc(C(=O)N[C@H](C)[C@@H](C)C(=O)Nc3ncccc3O)ccc2c1=O 1183400421 BFADRABSEHRKKS-CHWSQXEVSA-N 453.524 2.365 30 10 JEEE Cc1nn(C)c(N2CCN(C(=O)NC[C@]3(C)CCCN(C(=O)OC(C)(C)C)C3)CC2)c1C#N 1230778322 HTIOVUIDIZKEIK-QHCPKHFHSA-N 459.595 2.469 30 10 JEEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CCN2[C@@H](C)CC[C@@H]2C)CC1 1286311967 PFTYGYPGUGURAU-VXKWHMMOSA-N 455.651 2.312 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@@H]1CCOC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1286394388 OHMOHJUKCSALQT-HLAWJBBLSA-N 472.611 2.177 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@]1(O)CCS(=O)(=O)C1 1286424035 STBUNRKIKLJLDM-RUZDIDTESA-N 494.573 2.130 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2CCN(CCC(C)C)CC2)CC1 1286469304 DCCJVVPDGWNTEK-UHFFFAOYSA-N 478.645 2.439 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC2CCS(=O)(=O)CC2)CC1 1286474371 IHCYZOJBHVNMNM-UHFFFAOYSA-N 478.018 2.187 30 10 JEEE C#CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1286499305 KOBPDHBVKHWKNM-KRWDZBQOSA-N 462.597 2.096 30 10 JEEE C#CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)OC[C@@H]2C1 1286513268 SFFTZMHTEOZABC-IRXDYDNUSA-N 476.603 2.357 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2ccco2)C1 1286546175 GYARSAXKIKUYKA-RWQQGDIJSA-N 465.576 2.040 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(CC(=O)NCC)CC1 1286551290 LPGNUYHDDNMXKG-GBXCKJPGSA-N 498.628 2.202 30 10 JEEE C=C(C)COCCn1c(-c2cccc3cccnc23)nnc1N1CCN(CC(=O)NCC)CC1 1286605562 OJGGUEIEBUGUMI-UHFFFAOYSA-N 463.586 2.344 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1286783299 JOTKHJTVDKMBRE-UHFFFAOYSA-N 473.599 2.194 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCCN(c2nccs2)CC1 1286789483 SSCTVQJCACFLMA-UHFFFAOYSA-N 467.599 2.353 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N(C)C[C@H]1CCOC1 1286815174 NUMJBZZYFCZPSR-CYBMUJFWSA-N 458.382 2.109 30 10 JEEE CCCNC(=O)CCn1c(-c2ccccc2OC)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1294848811 GJMDUDMFWJNWHZ-UHFFFAOYSA-N 491.600 2.110 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccc(C)cc2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1300548944 UOLUTQXXMIWQRA-JTHBVZDNSA-N 481.622 2.443 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1coc(-c2ccc(C)cc2)n1 1300630943 KAWBHWYVFYGHDC-FQEVSTJZSA-N 484.582 2.082 30 10 JEEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1300763730 XDHGWRPTSXFIIM-IBGZPJMESA-N 455.584 2.207 30 10 JEEE C#CCSCCn1c(CCOc2ccccc2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1300767952 IDUZSWGXQBPXCA-UNMCSNQZSA-N 455.628 2.423 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCCC1(F)F 1300805850 JOVSRHYYZHZQCJ-SQGPQFPESA-N 471.574 2.429 30 10 JEEE C=C(Cl)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1301056563 DXJCUQOFNREJMZ-QGZVFWFLSA-N 464.979 2.247 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(=O)Nc2ccccn2)n1Cc1ncn(C)n1 1301333990 DTXLTQVVUBYBRJ-UHFFFAOYSA-N 459.514 2.303 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1301481327 KBDJOFPNSKJJDA-QQMNAOGKSA-N 459.522 2.244 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCOc2ncccc2F)C1 1301535720 NDWBPCUSXUGNOG-MRXNPFEDSA-N 453.478 2.320 30 10 JEEE CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C[C@@H](C)C#N)N1CCc2ccccc2C1 1305804509 HRLSQCRNSJVJNT-WAOWUJCRSA-N 473.647 2.321 30 10 JEEE CN(c1nnc(COc2ccc(C#N)cc2)n1Cc1ccoc1)C1CCN(S(C)(=O)=O)CC1 1314700560 DKHCPSZAIVKWRP-UHFFFAOYSA-N 470.555 2.230 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1C[C@](C)(O)C1CC1)[C@H]1CCS(=O)(=O)C1 1358957084 PHDJOMNQCZWFGT-CEXJFXJFSA-N 476.574 2.345 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H](CC)OC)[C@@H]1CCS(=O)(=O)C1 1358959177 DCTIZUQADRGFQU-QZTJIDSGSA-N 462.572 2.014 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccn3C)n2C[C@@]2(O)CCC[C@H]2C)n1 1359027628 PQXYLOSATYYVLH-DVECYGJZSA-N 451.575 2.317 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Cl)c3)n2Cc2cnn(CCOC)c2)CC1 1359041748 HDHIBYCBWAUFCV-UHFFFAOYSA-N 481.988 2.456 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2)nnc1N(C)CC(=O)N1CCOCC1 1359094429 AYEWVAWEESTEQM-DENIHFKCSA-N 455.559 2.230 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ccccc2OC)CC1 1359165931 ZYLBKMLYODYECW-FQEVSTJZSA-N 461.588 2.019 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1359245046 AEGHQQIGXKFQNF-IBGZPJMESA-N 497.600 2.236 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1sccc1C 1359272482 UAOSMTJEUHIINR-QGZVFWFLSA-N 451.618 2.402 30 10 JEEE C=CCn1c(COc2ccc(Br)cc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1359289633 XUYORKGDRPBGEG-UHFFFAOYSA-N 491.390 2.380 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(=O)NCCC)CC1 1359328562 IIPZCWBBZMENIR-UHFFFAOYSA-N 470.599 2.160 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1359330487 SZCDUSOYXQXKGL-LJQANCHMSA-N 470.603 2.066 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H]2C[C@H]1CO2 1359336323 MCGYSIHBXXSXNZ-BZSNNMDCSA-N 481.619 2.319 30 10 JEEE N#Cc1ccc(OCC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)c(F)c1 1473003052 DJBSAYSWFUTISH-UHFFFAOYSA-N 453.879 2.389 30 10 JEEE CCN(CCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2CCC[C@@H]21)S(C)(=O)=O 1502183875 GECPCJQFYLXTDZ-QUCCMNQESA-N 458.588 2.389 30 10 JEEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCc1ccc(OC)cc1 1503108050 AZMLMDLKYOQTFL-SFHVURJKSA-N 462.558 2.443 30 10 JEEE C#CCCCn1c(N2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)nnc1[C@]1(OCC)CCOC1 1507599216 LUUXJMQAZZVRCB-REWPJTCUSA-N 479.647 2.174 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Cl)n1C[C@]1(C)COCCO1)[C@H]1CCS(=O)(=O)C1 1507628856 ISALYQWCKGMNRM-HRAATJIYSA-N 464.975 2.031 30 10 JEEE C#CCN(c1nnc(-c2ccccc2F)n1CCCNC(=O)C1CCC1)[C@@H]1CCS(=O)(=O)C1 1507630158 ULIRJGXQJKFYBA-GOSISDBHSA-N 473.574 2.017 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1CCNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1507634311 JRNSWEDSXMRVOB-GOSISDBHSA-N 491.589 2.159 30 10 JEEE C#CCN(c1nnc(CCCc2ccccc2)n1C[C@@H]1CCOC[C@@H]1OC)[C@H]1CCS(=O)(=O)C1 1507640432 SKXBMAKBCZVLAH-VABKMULXSA-N 486.638 2.132 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2CCCN2C[C@@H](C)O[C@H](C)C2)CC1 1507724077 GCVYXYCUBCHPBD-DHIUTWEWSA-N 450.631 2.432 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC(CC(N)=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1507808356 GQVYGSHLARKPJX-NHCICSSKSA-N 461.607 2.392 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc(C(=O)N2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1508000739 DDRJFMNNUOBIAU-XTQSDGFTSA-N 475.553 2.233 30 10 JEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1508058860 INUTVQHQNLTOAA-AEFFLSMTSA-N 460.579 2.268 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC([C@H](O)c2ccc(F)cc2)CC1 1508142845 VMDVRXLCPFKMDV-PZJWPPBQSA-N 478.590 2.472 30 10 JEEE C#CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1539101992 PCUREAPCWLQAFM-JOCHJYFZSA-N 451.487 2.081 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@](C)(O)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1539211212 JETHOCDBEDMVER-AUSIDOKSSA-N 457.600 2.298 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(F)cn1)[C@@H]1CCS(=O)(=O)C1 1539213278 XOLYSDKSGNZDMZ-HXUWFJFHSA-N 450.499 2.026 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@@H]1CCC[C@]2(CCOC2)O1)[C@H]1CCS(=O)(=O)C1 1539219542 LGOUCTCMIGPMCF-SFYKDHMMSA-N 464.632 2.222 30 10 JEEE C#CCN(CC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H](C)CN1CCN(CC)CC1 1539360072 YLODRALOAMFGMV-HXUWFJFHSA-N 452.603 2.449 30 10 JEEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CC(C)(C)c2ccc(OC)c(OC)c2)CC1 1539459227 ABBVLRLJFRRFQF-UHFFFAOYSA-N 480.613 2.151 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3CC)n2C[C@H](C)N2CCN(CC)CC2)CC1 1539461466 GJIQVHJTMFRJQR-QHCPKHFHSA-N 479.673 2.201 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1539490743 HMQVMQFDVHQBIQ-KBPBESRZSA-N 454.478 2.448 30 10 JEEE C#CCSCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCSCC1 1539498370 SWLJDEFZORAQEZ-UHFFFAOYSA-N 450.659 2.466 30 10 JEEE C=C(Cl)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(CCO)CCOCC(F)(F)F 1539793465 FTIXRERCJBDQEQ-UHFFFAOYSA-N 486.882 2.322 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cc(F)ccc2F)CC1 1539847535 GOZQHBCURNXYFY-SFHVURJKSA-N 453.515 2.094 30 10 JEEE C=CCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1539986254 WTNVUAPXGHHAEJ-NRFANRHFSA-N 470.599 2.414 30 10 JEEE C=CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CCNS(C)(=O)=O 1539998905 SCBPZVBSFXJMPY-KRWDZBQOSA-N 470.640 2.344 30 10 JEEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)Cc2cccc(OC)c2)CC1 1539998923 SMALWIGNCDEKJY-HXUWFJFHSA-N 452.559 2.095 30 10 JEEE C=CCn1c(-c2cc(OC)ccc2Br)nnc1N1CCC(OCC(N)=O)CC1 1540854798 DRASNBGJDIENEU-UHFFFAOYSA-N 450.337 2.373 30 10 JEEE C[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C#N)cn2)CC1)c1ccccc1 1541834968 HJZLNXQZKSTWMV-RTBURBONSA-N 494.625 2.285 30 10 JEEE CCc1cnc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@H](CNC(C)=O)C2)s1 1546349989 FGEYZMJQRYSWJA-GOSISDBHSA-N 451.556 2.225 30 10 JEEE CCn1nccc1C(=O)N1CCN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@H]1C(=O)NC1CC1 1548369526 QTBRJGNDNZOVSL-IBGZPJMESA-N 460.460 2.403 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2C[C@@H](C)N2CCOCC2)c1 1587697039 IIYQXLOECYNFAX-HXUWFJFHSA-N 473.581 2.041 30 10 JEEE C#CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1587818274 TVEZRJOSSMYTTK-GOSISDBHSA-N 466.586 2.165 30 10 JEEE C#CCCCn1c(N2CCN(C(=O)Cc3cccc(OC)c3)CC2)nnc1[C@@]1(OCC)CCOC1 1587894216 QFKMJGVSOOYJJC-AREMUKBSSA-N 481.597 2.244 30 10 JEEE C#CCN(C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@]1(N2CCOCC2)CCSC1 1587927004 PESITAVCWQQBEM-HSZRJFAPSA-N 457.600 2.240 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(F)c(F)c1)[C@H]1CCS(=O)(=O)C1 1588034971 NVZKSUPAYRMFBY-MBSDFSHPSA-N 494.564 2.272 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@](C)(O)c1ccco1)[C@@H]1CCS(=O)(=O)C1 1588059073 IVEQMLCKXNYBOR-YKSBVNFPSA-N 468.579 2.305 30 10 JEEE C#CCN(c1nnc(CC2CCCC2)n1CC[S@@](=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1588064639 MJPUMTDVFFWKOW-RBSBEOHCSA-N 454.662 2.185 30 10 JEEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1CCC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1588070121 WYQITHXUFXIPIM-FQEVSTJZSA-N 487.626 2.015 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1c(Cl)c(C(F)(F)F)nn1C 1588074377 MJCFENBCMIRXCO-UHFFFAOYSA-N 453.856 2.041 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@]1(C)CN(C2CC2)C1=O 1588581387 PIQPGCJFJUJZSG-HXUWFJFHSA-N 461.364 2.133 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCOCC2CCOCC2)CC1 1588769802 YKLBNTKWCHKDQA-UHFFFAOYSA-N 468.558 2.442 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2cc(F)cc(OC)c2)CC1 1588864309 CGJDXBPTLPMGLX-UHFFFAOYSA-N 468.558 2.221 30 10 JEEE C#CCSCCn1c(Cc2ccccc2F)nnc1N1CCN(CC(=O)NC(C)C)CC1 1589088817 JQVQLFHNPWICFM-UHFFFAOYSA-N 458.607 2.021 30 10 JEEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1589109648 IMDKBDZRHCGUJD-UHFFFAOYSA-N 465.631 2.240 30 10 JEEE C=CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1594733670 XBHZQYKJBDYDEM-ZWKOTPCHSA-N 498.650 2.071 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCO[C@]2(CCOC2)C1 1595501106 MKWWEGIMWWGQGO-OAQYLSRUSA-N 476.375 2.314 30 10 JEEE CC[C@H](C)[C@](C)(O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1613098627 FQFZJVRSIKDRKJ-XLJIZYSNSA-N 490.630 2.135 30 10 JEEE COCC1(Cn2c(COc3ccccc3OC)nnc2N2CCO[C@H](C#N)C2)CCOCC1 1619653562 DUDXIJVIOJTCNT-GOSISDBHSA-N 457.531 2.038 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1cc(S(=O)(=O)N2CCN(CC)CC2)ccc1Cl 1635311562 YUUGAYMVVCSNGN-OXJNMPFZSA-N 456.008 2.377 30 10 JEEE C#CCN1CCN(C(=O)CSc2nnc(N3C[C@H](C)C[C@@H](C)C3)n2Cc2ccco2)CC1 1640822924 GIOLUSHEQQOYPW-RTBURBONSA-N 456.616 2.271 30 10 JEEE C#C[C@H](NC(=O)NCCCNC(=O)c1cc(OC)ccc1Br)C1CCOCC1 1681377312 DALHEFAEZMQJKJ-SFHVURJKSA-N 452.349 2.305 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1CCC[C@@H]1NC(=O)NC1=O 1689835927 VGNJNKZSJHKVAJ-LRDDRELGSA-N 475.347 2.162 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2C[C@H](C)O[C@H](C)C2)c1 1689872274 SXZWPTUKJVVYJC-YHELAOLJSA-N 499.637 2.440 30 10 JEEE C#CCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1689914865 HKXIXBGOWVJCHH-UHFFFAOYSA-N 460.586 2.395 30 10 JEEE C#CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCNS(=O)(=O)c1ccc(C)s1 1689960953 FTGFWAUCOZFRLT-UHFFFAOYSA-N 483.579 2.012 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CCCCN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1689984061 KOXTUDJTHUIPMU-HSZRJFAPSA-N 485.654 2.247 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1Cc1cccc(NC(=O)OC)c1)[C@H]1CCS(=O)(=O)C1 1689986540 SAVAVWKEDYHYDZ-IBGZPJMESA-N 482.566 2.137 30 10 JEEE C#CCN(c1nnc(-c2ccccc2F)n1CCCc1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 1689986591 SUXCQQYBCKPILQ-SFHVURJKSA-N 456.547 2.077 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@H]1CC(F)(F)CO1)[C@@H]1CCS(=O)(=O)C1 1689992900 QVDSFXLIDMWJNB-IAGOWNOFSA-N 468.501 2.059 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OC2CCCC2)cc1 1689999448 BBVSTCBRUPZABQ-GOSISDBHSA-N 455.584 2.331 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CCSC1 1690107750 ANGGVDUNWRXTOV-HTAPYJJXSA-N 465.620 2.304 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1690115354 BVZMPPAYEQPTPX-KRWDZBQOSA-N 492.443 2.206 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2cnccc2OC)CC1 1690139710 YCRGQCZRRAVQHJ-UHFFFAOYSA-N 475.509 2.271 30 10 JEEE C#CCSCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(CC(=O)N(C)C)CC1 1690163815 RPQREULEYIPZQH-UHFFFAOYSA-N 464.998 2.314 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(OC)c(O)c1 1690312789 CQBDRMPQSJYYHU-QGZVFWFLSA-N 450.561 2.124 30 10 JEEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1690473592 AGGQTPAWJLSCLC-UGKGYDQZSA-N 488.658 2.319 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1690661134 VLNMGYLLJSMHGO-SNRMKQJTSA-N 471.514 2.233 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1690729214 JHAQPBRKRXKJGD-FQEVSTJZSA-N 472.619 2.087 30 10 JEEE C=CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](C(=O)NC)C1 1690746793 KACRTRVLSZPGRK-QZTJIDSGSA-N 494.662 2.468 30 10 JEEE COCCn1cc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(NC(=O)C(C)C)CC2)cn1 1698069826 BHEWLGYDUQMPKG-UHFFFAOYSA-N 476.585 2.449 30 10 JEEE C#CCN(c1nnc(C(C)C)n1Cc1cnn(Cc2ccccc2)c1)[C@H]1CCS(=O)(=O)C1 1705560974 PEDWXAMJDCVGJW-NRFANRHFSA-N 452.584 2.321 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CCc1ccccc1F)[C@H]1CCS(=O)(=O)C1 1705569593 INBVPAXNUXSRIE-FQEVSTJZSA-N 453.543 2.272 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1Cc1nnc(CC)s1)[C@@H]1CCS(=O)(=O)C1 1705571038 VDCAFCUEYRJKIR-QGZVFWFLSA-N 474.587 2.097 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1C[C@H](C)CN1CCOCC1 1705575574 PBYOHUHRXUGXHD-QGZVFWFLSA-N 459.392 2.087 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1c(C)nn(C)c1C 1705591760 WWOWUXNGVKAUAQ-UHFFFAOYSA-N 479.610 2.057 30 10 JEEE C#CCN(CCOC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@H]1CCS(=O)(=O)C1 1705621615 ITHQZOWCMKBMNW-IRXDYDNUSA-N 450.536 2.078 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C(CC)CC)N1CCOCC1 1705675029 VOEMLDDPESRTBG-YZUZCNPQSA-N 477.675 2.309 30 10 JEEE C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C2CCC1(C)CC2 1705687789 JVHSNARHDMGYHL-UUCFBXCCSA-N 460.398 2.041 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(C)C)C(=O)C1 1705693519 HMODLKMBIZZRNQ-RXVVDRJESA-N 467.574 2.211 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2OC)nnc1N1CCO[C@H](CNC(C)=O)C1 1705701540 CDGASJHRSINNBT-JQVVWYNYSA-N 455.559 2.276 30 10 JEEE C=C(C)COCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCCOCC1 1705738138 MTCIUDPJMZOYLN-UHFFFAOYSA-N 454.619 2.462 30 10 JEEE C=CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1)c1ccccc1 1705795488 KYIMGPAEQTVBBJ-WOJBJXKFSA-N 479.585 2.249 30 10 JEEE C=CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1705835774 SZZHWXXVLRWANZ-SFYKDHMMSA-N 461.586 2.287 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@@]2(CCOC2)C1 1705937092 IITLNSPNMGSEMU-HSZRJFAPSA-N 460.600 2.290 30 10 JEEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(C#N)c1 1705947081 ZGHLZHJURXTVNZ-LJQANCHMSA-N 476.628 2.038 30 10 JEEE CC(C)OC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCCS2(=O)=O)CCO1 1706687365 BJVMFHORGUVGIT-RTWAWAEBSA-N 473.599 2.414 30 10 JEEE CN(C)C(=O)C1(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC(C#N)CC2)CCCC1 1710969165 DOAAYUYMBPXACE-UHFFFAOYSA-N 450.547 2.314 30 10 JEEE CN(Cc1cccc(C#N)c1)c1nnc(CN2CCCC2=O)n1CC1(S(C)(=O)=O)CCCC1 1711086173 DGQNMSXZJATFNT-UHFFFAOYSA-N 470.599 2.266 30 10 JEEE COCC[C@](C)(O)Cn1c(CCc2ccccc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1712325876 AVPQTEHLDOXERY-IBVKSMDESA-N 490.612 2.228 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)cc1OCC1CC1 1722296495 QOZRZNUPZIQRKZ-XMSQKQJNSA-N 487.626 2.214 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1CCC[C@H]1OC)[C@H]1CCS(=O)(=O)C1 1722362843 PAQMZHFYGUAGRN-SLFFLAALSA-N 488.610 2.404 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CCc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1722366931 TZZBUEGSNAFJOG-NRFANRHFSA-N 453.543 2.272 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(OC)c(OCC)c(OC)c1 1722397171 OGFMHTJOGSIBRM-LJQANCHMSA-N 486.594 2.107 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1C[C@@H](C)N1CCN(c2ccccc2)CC1 1722424901 DLUKBVCXYOGQAH-OAQYLSRUSA-N 460.586 2.032 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)ccc3C)n2Cc2cnn(C)c2)CC1 1722449532 LPRPVPJXULZMHG-UHFFFAOYSA-N 461.570 2.222 30 10 JEEE C=CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)OC)CC1)c1ccccc1 1722594218 HSCGAMKSEVDCLW-PKOBYXMFSA-N 476.603 2.137 30 10 JEEE C=CCCOCCn1c(C2CCCC2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1722626930 HQTCQWIUXIYFMW-UHFFFAOYSA-N 477.635 2.081 30 10 JEEE C=CCOc1ccccc1Cn1c(Cc2ccncc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1722707852 AONKPWRFRZTLGE-QFIPXVFZSA-N 462.554 2.218 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@]2(N(C)C)CCSC2)C1 1722708807 DLXRUIHZRIHELE-HTAPYJJXSA-N 457.604 2.144 30 10 JEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1722739865 YERVIOURAWXKGL-CVEARBPZSA-N 452.606 2.175 30 10 JEEE CC(C)OCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1723723604 ANKZOTPHQMXPRA-UHFFFAOYSA-N 460.542 2.062 30 10 JEEE CCO[C@]1(c2nnc(N(C)Cc3cccc(C#N)c3)n2CCN2CCSCC2)CCOC1 1728764487 BNYUJDXMPYLZFW-HSZRJFAPSA-N 456.616 2.487 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@H]1CCCN1S(C)(=O)=O 1740536895 OGILCVCRAQRGBV-SJLPKXTDSA-N 453.572 2.217 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2Cc2cnn(CCOC)c2)c1 1740561335 BXSYGTMZLNVCSK-UHFFFAOYSA-N 472.553 2.231 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@@](C)(O)c2cccs2)c1 1740563316 SJHFQTOUYJGGPA-XMMPIXPASA-N 480.594 2.442 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2Cc2ccnc(-n3cccn3)c2)c1 1740565204 MYYKPRMEEWVSMK-UHFFFAOYSA-N 470.537 2.500 30 10 JEEE C#CCN(CC#CC)c1nnc(COc2cc(C)ccc2C)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1740658642 LUUYNZOSTOQVLA-OAQYLSRUSA-N 469.611 2.218 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCC(=O)NC1CCCCC1 1740683686 CNAWKFLNWUNSRA-UHFFFAOYSA-N 491.596 2.117 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(Br)cc3)n2Cc2ccn(C)n2)CC1 1740699929 ZJACCPFSWLHOHJ-UHFFFAOYSA-N 470.375 2.157 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CC(=O)N(C)CC)CC1 1740702971 ZNXCTZSBXALRJL-NRFANRHFSA-N 450.587 2.264 30 10 JEEE C#CCSCCn1c(CCc2ccc(OC)cc2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1740719978 NWVPHXVVMCKPLM-QHCPKHFHSA-N 455.584 2.469 30 10 JEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2nc(C)c(C)s2)CC1 1740868940 WZWCVTOCDLCSDC-HNNXBMFYSA-N 453.638 2.254 30 10 JEEE C=CCCOCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(O)(C(F)(F)F)CC1 1740882479 MTHWKCFBGVROLJ-UHFFFAOYSA-N 478.479 2.407 30 10 JEEE C=CCCOCCn1c(-c2ccccc2F)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1740883025 GHGJYZBKTRYFPA-UHFFFAOYSA-N 465.533 2.497 30 10 JEEE C=CCCOCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@H](C)O[C@H](COC)C1 1740884892 QCXNJHUKMFENQQ-ROUUACIJSA-N 468.558 2.025 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CCCS(=O)(=O)C1 1748689879 JJRUADLWKZKOFB-XLAORIBOSA-N 465.620 2.332 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1Cc1nnc(CC)s1)[C@@H]1CCS(=O)(=O)C1 1748818789 GKWPLJVYNDTRES-MRXNPFEDSA-N 474.587 2.097 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(OC(F)(F)F)cc2)CC1 1748971026 ATIGJRHTAQJJMN-UHFFFAOYSA-N 450.465 2.118 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@](C)(O)c2cc(C)oc2C)CC1 1749003692 RVKYYLKYRFVBCH-CLJLJLNGSA-N 499.612 2.014 30 10 JEEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1749235987 YCOQJMCSSNSXIA-FQEVSTJZSA-N 489.621 2.462 30 10 JEEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCNc2nccc(C(F)(F)F)n2)CC1 1749303322 IGJSDTSZJFAHKU-AWEZNQCLSA-N 471.509 2.258 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(NC(=O)OC)c1 1749599709 JDKBGPLLWUNIHU-QGZVFWFLSA-N 463.560 2.046 30 10 JEEE C=CCOc1ccc(Cn2c(Cc3ccccn3)nnc2N2CCN(CC(=O)N(C)C)CC2)cc1 1749685231 BQPRMTLRVQMSPT-UHFFFAOYSA-N 475.597 2.087 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC2(C(N)=O)CCOCC2)C1 1749695727 IAYWYXWXZDSKNM-HNNXBMFYSA-N 479.379 2.099 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C(F)(F)F)c1 1750075659 HESLGBUDYDUNOL-PBHICJAKSA-N 486.520 2.274 30 10 JEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 1760138370 XEWWTPJDLZVNAT-SJORKVTESA-N 462.576 2.068 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H]1CCCN(CC(C)C)C1)[C@H]1CCS(=O)(=O)C1 1760183992 FUENPFLTMDXHCV-SFTDATJTSA-N 470.643 2.335 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H](CC)Oc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1760189155 OEXGOVUOGFIMEV-VQTJNVASSA-N 486.573 2.302 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1Cc1occc1C)[C@@H]1CCS(=O)(=O)C1 1760192255 SFRDRYJCZAQHAW-LJQANCHMSA-N 465.535 2.305 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCN1CCCCC1=O 1760213236 VSQLJKOXDPDLKC-UHFFFAOYSA-N 467.595 2.214 30 10 JEEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1CCS(=O)(=O)Cc1ccccc1 1760223695 IOEJBCIMVHZQOG-UHFFFAOYSA-N 464.595 2.218 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CN(CC(C)C)CCO1 1760235735 VVRPEXUMHIAWIR-SFTDATJTSA-N 490.649 2.403 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1CC(=O)NCc1ccco1 1760244128 MFSZRDMFVBYRGQ-UHFFFAOYSA-N 461.320 2.031 30 10 JEEE C#CCSCCn1c(Cc2cn3ccccc3n2)nnc1N(C)CCN1CCOC(C)(C)C1 1760283992 FCFSUWQRNKYSIE-UHFFFAOYSA-N 467.643 2.430 30 10 JEEE C=C(C)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1760342162 XSDNABMTNZFSDN-HOTGVXAUSA-N 468.649 2.381 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCOc2ccc(Cl)cn2)C1 1760544398 ZAVUXEKSVGCBKM-NVXWUHKLSA-N 467.979 2.089 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCN2C(=O)OC[C@@H]2C1 1760548619 LYMWZJZEXJNASA-MOPGFXCFSA-N 489.598 2.277 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CC[C@H](c2cnn(C)c2)C1 1760557065 ZEWPDIDFTVXVNB-SFHVURJKSA-N 458.563 2.336 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1760557249 FRGANEMQTVPIRS-DCLXLUIPSA-N 474.627 2.437 30 10 JEEE C=CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](C#N)C1 1760566316 QVISQKVYTFIKIL-DLBZAZTESA-N 464.592 2.234 30 10 JEEE CC(C)(O)CCn1c(CN2CCCC2=O)nnc1N1CCCN(c2ccccc2C#N)CC1 1760815403 GMAWTDBPBPFALG-UHFFFAOYSA-N 451.575 2.150 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@](C)(C(=O)NC)C1 1772659850 FYZVDUZWBDZJKR-FQEVSTJZSA-N 469.970 2.301 30 10 JEEE CCCC[C@H](NC(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2cccc(C#N)c2)cc1)C(=O)O 1858976942 CWRWAAMFOWBNFH-FQEVSTJZSA-N 486.550 2.162 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)Cn2cnc3c(nnn3Cc3ccccc3C)c2=O)nc1C 1870103289 AVQCPBBFASQPEC-UHFFFAOYSA-N 479.522 2.091 30 10 JEEE CCCCCCCCn1cc(OCC(=O)NC[C@H]2CCCO2)c(=O)cc1CN(C)CCO 1870545537 WAXYJCUZORRJLK-OAQYLSRUSA-N 451.608 2.307 30 10 JEEE C=CCN(CC=C)c1nc(=NCCN2C(=O)CSC2=O)[nH]c(=Nc2ccc(OC)c(Cl)c2)[nH]1 1871678756 BCGDAOPGMCHDFQ-UHFFFAOYSA-N 489.989 2.407 30 10 JEEE C=CCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2ccc(OC)c([N+](=O)[O-])c2)[nH]1 1871706396 AQVPZBASGMDBIY-UHFFFAOYSA-N 492.540 2.309 30 10 JEEE CCOc1cc(/C=N/n2c(Cc3ccc(OC)c(OC)c3)nnc2SCC(N)=O)ccc1O 1874237843 IYEFKOJZFIRNDC-WYMPLXKRSA-N 471.539 2.450 30 10 JEEE CCN1CCN(CC#CCOC2CCN(C(=O)[C@H](C)n3nc(-c4ccccc4)ccc3=O)CC2)CC1 1890504220 DZJDEKHVDNQMNE-QHCPKHFHSA-N 491.636 2.120 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@H](CNC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)C[C@H]1O 2060126969 CKBINWYDCCXHQG-VVLHAWIVSA-N 454.568 2.354 30 10 JEEE C#CCN(C(=O)C1=C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C1)C1CCN(C(=O)OC(C)(C)C)CC1 2136313644 ZHFROXASRKCGEO-RTBURBONSA-N 463.575 2.432 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1(C)C 2256679352 KLZPAEZCFDLUJA-RYUDHWBXSA-N 452.386 2.137 30 10 JEEE COC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1coc(B2OC(C)(C)C(C)(C)O2)c1 2267008438 GYTFNNBBOHHAKD-INIZCTEOSA-N 450.341 2.287 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2[C@H](NS(=O)(=O)c3cccc(B4OC(C)(C)C(C)(C)O4)c3)[C@H]2C1 2267379244 QFYVPLVTRDSQSV-PIIMJCKOSA-N 464.393 2.129 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](NS(=O)(=O)c2ccc(F)c(B3OC(C)(C)C(C)(C)O3)c2)C1 2267472585 SHBLXRXPFXDJDR-AWEZNQCLSA-N 470.372 2.413 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@H](NC(=O)c3sccc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2267594062 PEEGDDKLIYUFTI-KBMXLJTQSA-N 464.393 2.411 30 10 JEEE C[C@H](CCNC(=O)OC(C)(C)C)CCNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2268708722 FKSDKGBZCKKLQM-HNNXBMFYSA-N 450.389 2.390 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)c(N2C[C@@H]3OCCN(Cc4ccccc4)[C@H]3C2)n1 2280576986 LPLYPHOLEIGFSJ-SFTDATJTSA-N 451.376 2.479 30 10 JEEE CC(C)(C)OC(=O)N[C@]12CO[C@](C(=O)NCc3cccc(B4OC(C)(C)C(C)(C)O4)c3)(C1)C2 2280656502 DWFMFBHTUAJDIM-RQNOJGIXSA-N 458.364 2.428 30 10 JEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1cccc(F)c1B1OC(C)(C)C(C)(C)O1 2281762639 ONJMIDHSYSAWBL-DLBZAZTESA-N 464.343 2.489 30 10 JEEE CC(C)(C)OC(=O)N1C[C@]2(C)CN(C(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)C[C@]2(C)C1 2281926277 LUOMJEFSJXUSKU-ZRZAMGCNSA-N 460.384 2.428 30 10 JEEE Cn1cc(C(=O)N(CCNC(=O)OC(C)(C)C)CC(F)(F)F)c(B2OC(C)(C)C(C)(C)O2)n1 2281973933 CHZQZDPPRYKMMT-UHFFFAOYSA-N 476.305 2.249 30 10 JEEE C[C@H]1CCN(C(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)[C@@H](CNC(=O)OC(C)(C)C)C1 2282052812 QNVHMUHPMFRXKA-JKSUJKDBSA-N 462.400 2.485 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@H]1CCCCN1C(=O)C(F)(F)F 2282126036 FLRSSCSDCNOJDW-OAHLLOKOSA-N 457.302 2.480 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@@H]2NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2282315244 LMACJXRWOHZRTH-JEBQAFNWSA-N 482.383 2.411 30 10 JEEE CC(C)(C)OC(=O)N1CCN(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cn2C2CC2)CC1 2282544132 CJOCHFJYIOXEIX-UHFFFAOYSA-N 460.384 2.320 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2CCN(C(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)CC[C@H]2C1 2282579682 IAVFOPKYXKOVSC-IYBDPMFKSA-N 460.384 2.428 30 10 JEEE Cn1cc(C(=O)N2CC[C@]23C[C@@H](CNC(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)n1 2282580271 QYCWUANEIMRNAY-CWSKOGRWSA-N 460.384 2.239 30 10 JEEE CC1(C)OB(c2ccc(C(=O)N3C[C@@H](CNC(=O)C(F)(F)F)C4(CCC4)C3)o2)OC1(C)C 2282633831 DFQVSRCUNPWQNP-CYBMUJFWSA-N 456.270 2.500 30 10 JEEE C[C@H]1C[C@H](CNC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2282648961 UVROTKRFTCWKEI-JKSUJKDBSA-N 460.384 2.399 30 10 JEEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)C(=O)[C@H]1C[C@H](O)CN1C(=O)OC(C)(C)C 2283951622 XZYCITBAYCVANZ-RBUKOAKNSA-N 460.380 2.315 30 10 JEEE Cn1ncc(C(=O)NCc2csc(CNC(=O)OC(C)(C)C)n2)c1B1OC(C)(C)C(C)(C)O1 2286747888 OEFUEZMHRCQBGM-UHFFFAOYSA-N 477.396 2.131 30 10 JEEE COc1ccc(C=C2Oc3c(CN4CCN(CCO)CC4)c(O)cc(C)c3C2=O)c(OC)c1OC 2296565792 ZATPSMLFEYXUEQ-UHFFFAOYSA-N 484.549 2.453 30 10 JEEE COCCCN1C(=O)C(=O)C(=C(O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@H]1c1cccc(O)c1 2297056949 BIMKDNDBUOUUQR-HXUWFJFHSA-N 474.535 2.101 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](CN=c2cc(B3OC(C)(C)C(C)(C)O3)c(F)c[nH]2)CO1 2345712486 IVRLVERSZCMUCM-HUUCEWRRSA-N 451.348 2.284 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)n1C 2362483769 UFUYRFROZRULPN-WKILWMFISA-N 462.400 2.451 30 10 JEEE O=C(c1ccc(/N=C2\N[C@H]3CS(=O)(=O)C[C@@H]3S2)cc1)N1CCN(c2ccccc2)CC1 9524416 NOAGRCLNIVSRSG-PMACEKPBSA-N 456.593 2.139 30 10 JEEE COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(O)c(OC)c2)cc1C 106383509 WGRYJWRVHJQWBJ-FEYWKWKCSA-N 482.533 2.472 30 10 JEEE C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(N(C)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CC1 204865146 RJXTUXVRQONVPE-MRXNPFEDSA-N 489.426 2.116 30 10 JEEE C#CCN(C(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(OCC)cc2)c1)[C@H]1CCS(=O)(=O)C1 729330597 GHRZABZBEPMGAM-FQEVSTJZSA-N 490.603 2.457 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)Nc3ccc(S(=O)(=O)C(F)F)cc3)cc2C1=O 800716045 CSTUTVMNRJGDOB-UHFFFAOYSA-N 478.429 2.260 30 10 JEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(C)n(-c3ccccc3)c2C)c(=O)n1C[C@H]1CCCO1 916197474 UJSDMGVZDSYJIZ-JOCHJYFZSA-N 488.613 2.302 30 10 JEEE O=C(CSc1n[nH]c(NN=Cc2cccc([N+](=O)[O-])c2)n1)NCc1ccc2c(c1)OCO2 1084020682 WCVHUDUUOIUESW-UHFFFAOYSA-N 455.456 2.296 30 10 JEEE COCCSc1nnc(NC(=O)CSc2n[nH]c(NN=Cc3ccc([N+](=O)[O-])cc3)n2)s1 1084135648 LFTLXLCDVFLVKK-UHFFFAOYSA-N 495.572 2.480 30 10 JEEE C#C[C@H](NC(=O)c1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1)[C@@H]1CCCO1 1154791754 FVHFLZISSIXMBE-PXNSSMCTSA-N 459.480 2.315 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCOC(C)(C)C1 1286295059 HVLPUDZLMYLDJJ-OALUTQOASA-N 476.622 2.155 30 10 JEEE C#CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(CC(N)=O)CC1 1286322448 FCKJPUFFNQMVCB-IBGZPJMESA-N 474.606 2.482 30 10 JEEE C#CCCCCn1c([C@@H]2CCCOC2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1286323092 FQZNZPIFZNGDFC-MDNUFGMLSA-N 456.635 2.355 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1286397957 VQKQHAINXOAXLB-NRFANRHFSA-N 452.584 2.123 30 10 JEEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCc1n[nH]c(C)n1 1286412847 FKWWYJXFMOSKMS-UHFFFAOYSA-N 452.563 2.135 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1CCN(Cc2cccs2)CC1 1286420134 MCBZSRIADWLTCL-LJQANCHMSA-N 488.683 2.325 30 10 JEEE C=C(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1286600699 FOPQOHCPLMKNJW-FQEVSTJZSA-N 463.586 2.438 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@@H](COC)C1 1286672702 QCLQLIDUSGREFO-MOPGFXCFSA-N 469.652 2.466 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[S@](=O)CC 1286744732 LKQPMJKDPQWHLJ-CQGGRAHPSA-N 454.593 2.281 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1C(F)(F)C12CCC2 1286758421 NAOZLOQNFICHDP-HZPDHXFCSA-N 457.547 2.225 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(Cl)s1 1286773023 HITAMIBJWWBKPE-OAHLLOKOSA-N 476.024 2.013 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCCN(C(=O)c2cccc(F)c2)CC1 1286787034 BARGBSAOAXPASG-HXUWFJFHSA-N 470.549 2.314 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@]2(CCOC2)C1 1286816376 KCRCPUHHHARKQX-QFIPXVFZSA-N 462.572 2.180 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CC[C@H](C)[C@@H](OC)C1 1286824259 XULHYQAQJGJOQS-LPHOPBHVSA-N 452.552 2.458 30 10 JEEE CCOc1ccc(O[C@H](C)c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@]2(OC)CCOC2)cc1 1296810081 BOTXGZSMKHIKPY-DHJUGAMNSA-N 457.531 2.351 30 10 JEEE C#CCCCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1300347552 AVLJXKAJPPTHCI-JOCHJYFZSA-N 450.587 2.500 30 10 JEEE C#CCN(c1nnc(CC)n1CC1CCN(Cc2ccccc2)CC1)[C@@H]1CCS(=O)(=O)C1 1300498313 IYJXOMUXFQEVCK-JOCHJYFZSA-N 455.628 2.379 30 10 JEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H](CC)N1CCCC1 1300512743 MHJHETAOAKMADT-FQEVSTJZSA-N 467.643 2.494 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1CCCCN1CCC[C@H]1CO 1300579830 XNFWETYHTJQJDJ-FQEVSTJZSA-N 473.581 2.294 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1Cc1cc2c(cc1OC(F)F)OCO2 1300663980 KGNOCSJFEJBFCC-UHFFFAOYSA-N 458.425 2.200 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2C[C@H](C)CN2CCOCC2)CC1 1300718913 IJSKKWXLWKKGJM-LJQANCHMSA-N 468.577 2.018 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2Cc2ccc(OC)nc2)CC1 1300719186 QTOYPHHZCFKYLQ-UHFFFAOYSA-N 490.564 2.380 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1300888126 HZMCOPJJFRURMI-GIWBLDEGSA-N 488.658 2.353 30 10 JEEE C=CC[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)c1ccccc1 1301165254 FOTGHXUZUFNOQT-HSALFYBXSA-N 478.640 2.163 30 10 JEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccccc1OC)C1CC1 1301326939 JKWCOVYUEKULRG-HXUWFJFHSA-N 461.588 2.017 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](c2cccc(OC)c2)N(C)C)C1 1301555196 ABOPOJQNWOOJRH-FCEUIQTBSA-N 489.642 2.273 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2ccc(OC)cc2OC)C1 1301558291 UYBDKDIZBLQDJY-ICSRJNTNSA-N 476.599 2.221 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1301566890 SWKBSSGOBRKMSV-LPHOPBHVSA-N 450.536 2.212 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCSc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1358960328 BVDXNVKPWUCNTM-GOSISDBHSA-N 456.597 2.098 30 10 JEEE C#CCN(c1nnc(-c2csc(N3CCOCC3)n2)n1CC(C)(C)CC)[C@@H]1CCS(=O)(=O)C1 1358961453 ZJWMQYWWFDMVJK-QGZVFWFLSA-N 492.671 2.301 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(C)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1358965943 DXWWQHFFTBYMMF-OAQYLSRUSA-N 482.610 2.132 30 10 JEEE C#CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC(=C)Cl)[C@H]1CCS(=O)(=O)C1 1358967095 DIHILRXFTWLGQZ-BBWFWOEESA-N 484.022 2.428 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN(C(C)=O)C1 1359016798 MIADBZOKXSFIHP-RTWAWAEBSA-N 487.601 2.218 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cn(C)c3ccccc23)n1CCN/C(O)=C1/N=CC=CC1=O 1359022711 KRJRJYJLIWOAGK-GYHWCHFESA-N 473.537 2.049 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2ccc(NC(C)=O)nc2)CC1 1359031179 SLZYJHJHFWNJKE-UHFFFAOYSA-N 483.374 2.193 30 10 JEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@](C)(O)c2cccc(Cl)c2)CC1 1359038324 RTIKYZCCKJLOOG-DEOSSOPVSA-N 468.005 2.456 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2CC2(O)CCN(C(C)C)CC2)CC1 1359039206 ZONNKPCORORRMZ-UHFFFAOYSA-N 466.630 2.156 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC(=C)C)CC1 1359040415 UDBLIUHMMSQSHQ-UHFFFAOYSA-N 454.962 2.403 30 10 JEEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1359050745 BHNZFFVRSNNNQA-XUVXKRRUSA-N 460.625 2.434 30 10 JEEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 1359231552 ZHILAPNMZTUKKT-HZPDHXFCSA-N 456.613 2.158 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C(C)(C)O)cc1 1359272169 MOHMVSWDHOBNLG-HXUWFJFHSA-N 475.615 2.065 30 10 JEEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N(C)CCN1CCOC(C)(C)C1 1359298683 IUBDLLCGJGHKLX-UHFFFAOYSA-N 451.575 2.276 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N(C)Cc1nc(O)c2ccccc2n1 1359330045 FDGPIBRGJGBJIX-UHFFFAOYSA-N 453.528 2.159 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN(Cc2csc(CC)n2)CC1 1359330178 JTMLCMBQLQSFSE-UHFFFAOYSA-N 489.671 2.226 30 10 JEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C[C@H]2CCCc3ccccc32)C(=O)OC)cc1 1447435508 NNROWNBYXXZUTN-DENIHFKCSA-N 454.548 2.380 30 10 JEEE C=CC[C@H](C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1)c1ccccc1 1456318056 ZWFVQUPSOFYKPB-IBGZPJMESA-N 455.536 2.210 30 10 JEEE C#CC[C@H](NC(=O)N1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1)c1ccccc1 1469447743 FCBREEZGCHVYRT-FQEVSTJZSA-N 457.552 2.484 30 10 JEEE COC(=O)[C@@H]1CN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C[C@H]1c1ccc(O)cc1 1469727440 AROLGJIBOXVUMU-GDAAHCPNSA-N 458.515 2.049 30 10 JEEE CC(=O)N1CCN(CCOc2ccc(CCNC(=O)Nc3cc(CC#N)ccn3)cc2)CC1 1476946689 CUWZZPGMUOVYSB-UHFFFAOYSA-N 450.543 2.055 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H](c1ccco1)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1507631330 OBKMCFKLFJVKMX-UYAOXDASSA-N 483.598 2.038 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@H]1N(C)CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1507634048 IKYKUNSTVIOHKG-VQTJNVASSA-N 490.699 2.381 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1cccc(N(C)C)c1)[C@H]1CCS(=O)(=O)C1 1507635093 PNMTWNWOQPFXTD-QFIPXVFZSA-N 464.595 2.005 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCCN(Cc2ccccc2)C1 1507642104 GTRBWRVPSYBXAM-GGAORHGYSA-N 482.654 2.263 30 10 JEEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@](C)(O)c1ccco1 1507669972 WPAJLWNHJHZBGW-RUZDIDTESA-N 459.554 2.416 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@@H](CC)NC(=O)OC(C)(C)C)CC1 1507738720 WPOKEIPBYZHREZ-GOSISDBHSA-N 482.589 2.004 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCCC(=O)N(C)C)CC1 1507739845 GDTRQFMTMXNWJY-UHFFFAOYSA-N 480.613 2.308 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(O)(C(F)(F)F)CC1 1507791672 PNLBMWXQDREZIK-JKSUJKDBSA-N 457.497 2.389 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(OCCN2CCCC2)CC1 1507792549 ZYEWRZUFZCDHFT-IFMALSPDSA-N 474.650 2.479 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1cccc(C)n1 1507821076 TVJCBNDRIJHAFX-HXUWFJFHSA-N 462.620 2.350 30 10 JEEE C=C(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1507829329 WEFARMKNWCUMCT-QHCPKHFHSA-N 454.531 2.353 30 10 JEEE C=CCn1c(Cc2c(F)cccc2F)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1508061947 RLVSWPFOEQREMX-UHFFFAOYSA-N 457.485 2.390 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCC(NC(=O)C(C)C)CC1 1508145502 MOAZBHULWWCVPZ-UHFFFAOYSA-N 477.606 2.350 30 10 JEEE C[C@@H]1COCCN1c1nnc(-c2cccc(C#N)c2)n1C[C@H](N1CCOCC1)C(F)(F)F 1512538678 GGTXYLDITFKUFW-QAPCUYQASA-N 450.465 2.305 30 10 JEEE CCCNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CN2CCOCC2)CC1 1515056138 BTDCNYACVBXNRY-UHFFFAOYSA-N 465.602 2.282 30 10 JEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)[C@]2(C)CN(C(=O)OC(C)(C)C)CCO2)cc1 1534002828 KUHLWMHMTGTTAT-NRFANRHFSA-N 453.561 2.458 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1CCCc1cccc(C)n1)[C@@H]1CCS(=O)(=O)C1 1539210173 BEZXRUJQLJUVIF-HXUWFJFHSA-N 450.568 2.303 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CCc1ccc(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1539224597 ILMRQSSWYKUIDS-OAQYLSRUSA-N 495.605 2.151 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCOc2ccc(Cl)cn2)CC1 1539460145 YBJMYKZGWWFJSK-UHFFFAOYSA-N 486.001 2.152 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCCc3ccccc3)n2CC2CCS(=O)(=O)CC2)CC1 1539489213 SENPNUVCDLCWFZ-UHFFFAOYSA-N 497.665 2.244 30 10 JEEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1539520884 VGXQVBYGSVLYIA-FGZHOGPDSA-N 495.697 2.257 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(OC)cc2)n1CCN/C(O)=C1\N=CC=CC1=O 1539569751 SYIRJLYQJQTNRR-RMPPEFSYSA-N 476.537 2.384 30 10 JEEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1539706304 FYWXDFKVBLADFY-RTBURBONSA-N 473.578 2.474 30 10 JEEE C=CC1CCN(c2nnc(COc3ccccc3CC)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1539896599 PMDXWXWKLAPJSS-QHCPKHFHSA-N 460.600 2.372 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@]1(C)COCCO1 1540121207 PULMVLLWZSFFLI-CVDCTZTESA-N 476.599 2.187 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCO2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1540126526 IENFKKNVDRCZHN-LEWJYISDSA-N 470.599 2.475 30 10 JEEE C=CCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCC(NS(=O)(=O)CC)CC1 1540857050 STCLUNOZKJQBPL-UHFFFAOYSA-N 485.614 2.159 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(NC(=O)CCC)CC1 1540864674 IBQJJXMEIDYSHQ-UHFFFAOYSA-N 455.519 2.041 30 10 JEEE C=CCNC(=O)Cn1c(Cn2ccc3ccccc32)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1540873786 KACCGBKURCQYNA-IBGZPJMESA-N 463.586 2.276 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1540900654 CYGNQNUBLQQIJJ-KRWDZBQOSA-N 473.599 2.050 30 10 JEEE C=CCSCCn1c(Cc2ccncc2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1540918979 BAXRWYKNQCRFNM-SIKLNZKXSA-N 469.659 2.172 30 10 JEEE CC(=O)N1CCN(CCn2c(CC(C)C)nnc2N2CCN(c3ccc(C#N)cc3Cl)CC2)CC1 1541006249 DRBVXDPUIKIECA-UHFFFAOYSA-N 499.063 2.492 30 10 JEEE CCC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1546838765 BQWQEZPFOIGPSQ-PGRDOPGGSA-N 460.604 2.133 30 10 JEEE C#CC[C@H](COC)NC(=O)c1cccc(NC(=O)C[C@@H]2SC(N3CCCCC3)=NC2=O)c1 1586385348 DRIKRBYRWMSXLI-MOPGFXCFSA-N 456.568 2.267 30 10 JEEE C#CCCCCn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1587712065 LMCAZXZQMCWCNQ-RHSMWYFYSA-N 464.364 2.210 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CC1(O)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1588039944 GNSYJPLPKMAQHJ-HXUWFJFHSA-N 453.568 2.139 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1CC[S@](=O)CC)[C@H]1CCS(=O)(=O)C1 1588041730 ZDIOCUIGBUVPCG-PEGYKEAPSA-N 472.995 2.133 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1CCCc1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 1588059261 KXVOUGDBHKTJOU-HXUWFJFHSA-N 470.574 2.001 30 10 JEEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCNC(=O)c1cccs1 1588276510 OFTSSCHADVTIPZ-UHFFFAOYSA-N 485.639 2.498 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](CC=C)c2ccccc2)CC1 1588742972 WGQRZHXFQVNVIE-TZIWHRDSSA-N 456.616 2.003 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCCN2CCOC2=O)CC1 1588763368 WJNFPUZNRGKRBJ-UHFFFAOYSA-N 460.485 2.144 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3)n2CCCN2CCC(O)CC2)CC1 1588769087 OEIXPXLLNKECOT-UHFFFAOYSA-N 487.446 2.310 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OC)n2Cc2c(C)nn(C)c2C)CC1 1588968459 MBOZDMFQIRGGMT-UHFFFAOYSA-N 491.596 2.230 30 10 JEEE C#CCSCCn1c(COc2ccc(C)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1589116445 IXJWXACGZSTLPJ-UHFFFAOYSA-N 463.629 2.050 30 10 JEEE C#CCSCCn1c(N2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)nnc1[C@]1(OC(C)C)CCOC1 1589126209 XNXYQARAQZLPIK-LBVMUVSTSA-N 464.632 2.458 30 10 JEEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1594824975 TVABCNFWZXXIBG-UHFFFAOYSA-N 470.549 2.095 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(Cl)cc1F 1595302861 FRWUJCZJHPATCP-SFHVURJKSA-N 487.985 2.091 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC(O)(Cc2ccc(F)cc2)CC1 1595562023 LNPRIIFCMUMEJT-UHFFFAOYSA-N 464.545 2.279 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1595784621 JUAQFTVIORTASA-KRWDZBQOSA-N 459.576 2.035 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CC[C@]2(C)[C@@H](C1)C2(Cl)Cl 1595784966 PEHWLNIPDAUOEC-RHSMWYFYSA-N 459.403 2.300 30 10 JEEE C=CCC1(O)CN(C(=O)c2cccc(NC(=O)C[C@H]3SC(N4CCCCC4)=NC3=O)c2)C1 1645230231 YZRGLOKUCGGESW-GOSISDBHSA-N 456.568 2.262 30 10 JEEE CC(C)(C)OC(=O)N1CC(O)(CN(Cc2ccccc2)S(=O)(=O)c2cncc(C#N)c2)C1 1656715979 GFJGVIUBISGLPN-UHFFFAOYSA-N 458.540 2.126 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@@H]1OCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1689991939 DUNASCMUVKVVOW-FPOVZHCZSA-N 472.611 2.319 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2CCCOC[C@H]2CCOC2)CC1 1690113731 SIACTTHHVHJIJY-GOSISDBHSA-N 491.434 2.245 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@@]2(C)COCCO2)CC1 1690139915 FAFKVYUGJLHFJA-SANMLTNESA-N 497.596 2.124 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cc(Br)cs2)CC1 1690144318 UOQUAFIFMFAICG-INIZCTEOSA-N 491.415 2.067 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(OCCOC)CC1 1690278921 VVRICQFZWVDOCB-UHFFFAOYSA-N 463.604 2.403 30 10 JEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](C)N2CCN(c3ccccc3)CC2)CC1 1690364803 XSVXGQZXWMSMST-LEWJYISDSA-N 487.674 2.255 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c(-c2cnccn2)nnc1N1CCCN(C(C)=O)CC1)C(C)C 1690581101 KVXKXBMRNJWNEY-QFIPXVFZSA-N 452.607 2.492 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1690670696 HHWSVPKDFAVIST-FGTMMUONSA-N 462.595 2.214 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC(Oc2ncccc2F)CC1 1690724922 ZAZJKWJTBPBIGS-KRWDZBQOSA-N 479.578 2.355 30 10 JEEE CC(C)NC(=O)CN(C)c1nnc(COc2ccc(C#N)cc2)n1CCNC(=O)OC(C)(C)C 1692554910 HCIAMHYLYRXLOM-UHFFFAOYSA-N 471.562 2.214 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ccc(OCCO)c(OC)c1 1705491677 GRDRQKNJRAVHHR-LJQANCHMSA-N 491.596 2.338 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)Nc3ccccn3)n2CC[C@@H]2CCOC2)c1 1705504337 TUPNJPZWGVWGTA-LJQANCHMSA-N 473.537 2.408 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)Nc3ccccn3)n2CCn2cc(C)cn2)c1 1705504535 ZHVQRHLEJLXIPI-UHFFFAOYSA-N 483.536 2.187 30 10 JEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C(C)=O)cc2F)CC1 1705532347 MGVOSNYNUUHGGE-IBGZPJMESA-N 473.574 2.262 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CC[S@@](=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1705570391 MVNZMNQVHWRCJL-FZYZMVIOSA-N 480.631 2.182 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1CC(C)(C)CN(C)C)[C@@H]1CCS(=O)(=O)C1 1705570661 QDKCVXUGUOTOBD-LJQANCHMSA-N 461.607 2.223 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCC1(O)CCOCC1 1705595836 IDLGFLQYCPZYBZ-UHFFFAOYSA-N 474.565 2.069 30 10 JEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@H](c1ccccc1)N(C)C 1705626910 NETOMLNQWPLWNO-HXUWFJFHSA-N 450.543 2.395 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc(C)c2C)CC1 1705661655 HGNLQKNRSFYNPD-HXUWFJFHSA-N 473.668 2.490 30 10 JEEE C#CCSCCn1c(COc2cccc(C)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1705664599 UXWXSIXPCJKOPW-IBGZPJMESA-N 468.583 2.005 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCCN(CC)C(=O)C1 1705898146 BURHBZKWORFKGR-UHFFFAOYSA-N 479.354 2.208 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2csc([C@@H](C)OC)n2)C1 1705925288 NIQAARXOZFERNL-HLLBOEOZSA-N 467.617 2.174 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)c1ccccc1F 1705936801 YPQSJWVBHARFCY-HZPDHXFCSA-N 470.592 2.118 30 10 JEEE CC[C@H](c1ccccc1)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC(=O)N(C)C 1708660556 BWJPKIHRVOKACD-UYAOXDASSA-N 473.585 2.285 30 10 JEEE COC(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2CCN(CCN(C)C)CC2)C1 1711445830 GTUKPIGYORKCOZ-JOCHJYFZSA-N 465.602 2.090 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CCc1nnc(C)s1 1712442725 HCCVTGQBNQRJSM-SFHVURJKSA-N 466.571 2.157 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2Cc2nnc(CC)s2)c1 1722305932 MMZYBTLSRNGFFH-UHFFFAOYSA-N 478.582 2.033 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccc(C)cc1OCCOC)[C@H]1CCS(=O)(=O)C1 1722369889 IKXGHEOCEOHJPX-LEWJYISDSA-N 488.610 2.138 30 10 JEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1C[C@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1722371650 KSVFUTXXTKIFIZ-RBBKRZOGSA-N 472.611 2.268 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCCCN2C[C@H](C)C[C@@H](C)C2)CC1 1722440313 CIMASVNCAWIMHN-FGZHOGPDSA-N 497.688 2.238 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@@H]2N(C)CCCC2(C)C)CC1 1722449195 NZKORIPTEQDKIT-QFIPXVFZSA-N 463.630 2.350 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1CC(F)(F)C1(OC)CCOCC1 1722476361 RWEAFMOVKKLJJK-HXUWFJFHSA-N 451.518 2.224 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1722491486 LOOBCRJCEJYLPX-RDGPPVDQSA-N 467.636 2.001 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2cc(Br)cn2C)n1CC(=O)N1CCOCC1 1722504410 HYABTFAYPGRPHZ-UHFFFAOYSA-N 451.369 2.307 30 10 JEEE C=CC1CCN(c2nnc(CCN3CCN(c4ccccc4)CC3)n2CCCS(C)(=O)=O)CC1 1722579280 MNCKTSYVXHBKJN-UHFFFAOYSA-N 486.686 2.480 30 10 JEEE C=CCNC(=O)Cn1c(Cn2ccc3ccccc32)nnc1N1CCC[C@H](NC(=O)CCC)C1 1722701739 BPGYVTADVQWZGV-FQEVSTJZSA-N 463.586 2.468 30 10 JEEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1722702061 JNVYCTABVHNARK-UHFFFAOYSA-N 492.628 2.140 30 10 JEEE C=CCNC(=O)Cn1c(N2CCN([C@@H](C)c3ccsc3)CC2)nnc1[C@]1(OCC)CCOC1 1722704690 WQAUJLBNPMJOPY-MBSDFSHPSA-N 474.631 2.177 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCN(S(C)(=O)=O)C1 1740563990 YNTHXVHNDJBTAH-SQNIBIBYSA-N 480.635 2.090 30 10 JEEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 1740565693 ZTKHCWGPOJNZDX-QFIPXVFZSA-N 477.613 2.147 30 10 JEEE C#CCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCCN(S(C)(=O)=O)CC1 1740584321 KHRBJZLBYDFLJB-UHFFFAOYSA-N 451.980 2.492 30 10 JEEE C#CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1740589392 XNCJUAISLJJOQY-GOSISDBHSA-N 482.610 2.492 30 10 JEEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1740612485 ASGYMJXSOOAOMG-DNQXCXABSA-N 479.673 2.212 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCOc1ccc(F)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1740629294 INXNFWNQHNXRQB-DNVCBOLYSA-N 466.510 2.114 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CC(C)(C)c2ccc(OC)c(OC)c2)CC1 1740688759 IRNRSWABSFPFIA-UHFFFAOYSA-N 468.602 2.167 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCN2CCCC[C@H]2C)CC1 1740708135 CWKXZNVMCTUYDA-OAQYLSRUSA-N 480.661 2.370 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1CCN(c2ccncc2)CC1 1740725809 UZCKQPVZQKMXIT-WZONZLPQSA-N 471.631 2.192 30 10 JEEE C=CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2CCOC[C@H]2C1 1740877091 REJVQWKGLVBRCK-MOPGFXCFSA-N 462.595 2.074 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1740993655 BFQWUKSZEPNGTH-UHFFFAOYSA-N 454.600 2.025 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1cn(CCCC)nc1C)[C@@H]1CCS(=O)(=O)C1 1748811300 DPVNBOKGUQPZFQ-HXUWFJFHSA-N 467.599 2.320 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@H](OC)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1748812757 ZRZZSLWUQRBDIH-FPOVZHCZSA-N 453.568 2.298 30 10 JEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC(NC(=O)c2ccc(F)cc2)CC1 1749020532 WTNNDBDITBFPHI-UHFFFAOYSA-N 472.590 2.321 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCC(N2CCCNC2=O)CC1 1749117968 ARPLJCSHGCRTRS-ZVDOUQERSA-N 476.622 2.367 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1749132769 CUIRKFVIORKLFG-OFNKIYASSA-N 488.658 2.495 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H](C)N1CCOCC1 1749154392 RKCPIDOBGLFHPH-SFHVURJKSA-N 451.575 2.315 30 10 JEEE C=CCC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1749373144 FLAUALFPVMKFMO-UHFFFAOYSA-N 454.579 2.263 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@]1(O)CCS(=O)(=O)C1 1749582156 BZNURLDMIZPZOV-JTSKRJEESA-N 481.619 2.078 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H](C(=O)OC)C1 1749723779 CLGMVVPTORQMIH-CYBMUJFWSA-N 486.392 2.026 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(OC)cc2)nnc1N1CCOCC2(CC2)C1 1749740111 QEMYAPMARJPWFW-UHFFFAOYSA-N 462.572 2.083 30 10 JEEE C=CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1749749025 DPNZKILUMLOANC-UHFFFAOYSA-N 451.600 2.137 30 10 JEEE Cc1cc([C@@](C)(O)Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@H](S(C)(=O)=O)C2)c(C)o1 1751386055 CJYZQPCDJZBJIC-RDPSFJRHSA-N 499.593 2.470 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1nc(C(C)(C)C)cs1 1760116536 IHISDISCBIJEIG-CVEARBPZSA-N 480.660 2.066 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCOC(C)C)[C@@H]1CCS(=O)(=O)C1 1760182069 BICOLGOIWNDADU-LJQANCHMSA-N 461.544 2.295 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCOc1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1760186852 GRHMKEXUGZTHQH-WOJBJXKFSA-N 488.610 2.277 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(NC(=O)C2CCCC2)c1 1760248278 GYQYVHLLAKWXHK-OAQYLSRUSA-N 464.570 2.492 30 10 JEEE C#CCN1CCN(c2nnc(CSc3ccccc3OC)n2CCCN2CCC(O)CC2)CC1 1760263614 ITSOTLZDGCASTB-UHFFFAOYSA-N 484.670 2.181 30 10 JEEE C#CCSCCn1c(Cc2ccsc2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1760283530 PYISUHUFEIWHJX-SFHVURJKSA-N 465.670 2.301 30 10 JEEE C#CCSCCn1c(Cc2c[nH]c3ccccc23)nnc1N(C)CC(=O)N1CCOCC1 1760283651 VWAXQNNLDSDSQA-UHFFFAOYSA-N 452.584 2.012 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)NC(C)C)n1C[C@H](C)N1CCOCC1 1760478256 BCNFUMJRBMVOPX-IBGZPJMESA-N 451.575 2.201 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1760553415 UECOVHPMTMIWMF-NRFANRHFSA-N 472.659 2.071 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@@H](c1ccco1)N(C)C 1761466111 HGXUROYKYDOOPB-LPHOPBHVSA-N 471.587 2.292 30 10 JEEE CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 1767814520 AQWMMFYRSYGAMO-GOSISDBHSA-N 483.573 2.216 30 10 JEEE COCCN(CCC#N)c1nnc(-c2c[nH]c3ccccc23)n1CC1(C(N)=O)CCOCC1 1771111283 FVKYSLGNMKISPQ-UHFFFAOYSA-N 451.531 2.075 30 10 JEEE C=CCOc1ccccc1[C@@H]1C(C(=O)NCCCNC=O)=C(N)Oc2c1c(C)nn2CC(C)C 1864318972 JUOHDJLFIFZALG-NRFANRHFSA-N 467.570 2.359 30 10 JEEE N#Cc1nnn(Cc2ccc(F)cc2)c1NC(=O)CCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1870110853 LLSXFHCWSJTVJY-UHFFFAOYSA-N 477.412 2.260 30 10 JEEE COCCCN1C(=O)c2ccc(C(=O)Nc3c(C#N)nnn3-c3ccc(OC)cc3C)cc2C1=O 1870141999 VVMUIZDKJCDCBY-UHFFFAOYSA-N 474.477 2.341 30 10 JEEE CC(C)N1C[C@@H](c2nnc(SCC(N)=O)n2/N=C/c2cc(Br)ccc2F)CC1=O 1874337962 MGIULHOFYCGPGG-UOERRNGJSA-N 483.367 2.364 30 10 JEEE CCCCCC[C@H](C)C=C(C)C=CC(=O)N[C@@H]1C[C@@]2(O[C@@H]1O)[C@@H]1O[C@@H]1[C@@](O)(CC(C)=O)[C@@H]1O[C@H]12 2058696857 YFJWRMZGLWVCSQ-LQCCXFMYSA-N 477.598 2.316 30 10 JEEE CC1(C)OB(c2cccc3c2CCN3S(=O)(=O)N2CC(OCc3ccccc3)C2)OC1(C)C 2161951041 LXYCGKMMJRBNIE-UHFFFAOYSA-N 470.400 2.494 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H]1CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2247882698 SZYYBZFIRUQFIY-ZDUSSCGKSA-N 458.411 2.335 30 10 JEEE CC(C)(C)OC(=O)N1CCC12CN(S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)C2 2255796027 ZVJNZFWGJAOEEY-UHFFFAOYSA-N 470.422 2.431 30 10 JEEE Cc1nn(C)c(C(=O)N[C@H]2CC[C@H]2NC(=O)OCc2ccccc2)c1B1OC(C)(C)C(C)(C)O1 2255827718 LSPINTUERZFNTG-ZWKOTPCHSA-N 468.363 2.215 30 10 JEEE CC(C)(C)OC(=O)N1CC([C@H](F)CNC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C1 2255843719 KSHVLKCYZPSQQU-CQSZACIVSA-N 455.361 2.377 30 10 JEEE CC[C@@H]1[C@@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)CCN1C(=O)OC(C)(C)C 2256617079 GNENHKJSXNNWIV-QWHCGFSZSA-N 452.386 2.233 30 10 JEEE Cc1sc(C(=O)N2CC(O)(CNC(=O)OC(C)(C)C)C2)c(C)c1B1OC(C)(C)C(C)(C)O1 2267110064 YSMQOIPGHNSNND-UHFFFAOYSA-N 466.409 2.376 30 10 JEEE CC1(C)OB(c2cc(C(=O)N3C[C@H]4CC[C@H]3[C@H](NC(=O)C(F)(F)F)C4)ns2)OC1(C)C 2267152173 OFQHOBVWLHLSTL-LOWVWBTDSA-N 459.299 2.114 30 10 JEEE CO[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)o1 2267290459 CZOPFOZSRRTZPC-HOCLYGCPSA-N 450.341 2.333 30 10 JEEE CC(C)C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2267497126 JFYVJEFLVIHMCP-HNNXBMFYSA-N 450.389 2.389 30 10 JEEE CCc1nn(C)c(C(=O)NC(C)(C)CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267506969 GVKFULLHYVNYQZ-UHFFFAOYSA-N 450.389 2.315 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C[C@H]1CO 2267593298 KBNFAVWYWSKKPL-GOEBONIOSA-N 466.409 2.395 30 10 JEEE CC1(C)OB(c2cncc(S(=O)(=O)N(Cc3ccccc3)[C@@H](CO)C3CC3)c2)OC1(C)C 2267721080 OBBQHEHQMAOGNE-NRFANRHFSA-N 458.389 2.343 30 10 JEEE Cc1nn(C)c(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@H]2C)c1B1OC(C)(C)C(C)(C)O1 2281977913 VSXQJXYIXHZDAL-CVEARBPZSA-N 462.400 2.498 30 10 JEEE Cn1cc(C(=O)NCC[C@@H](NC(=O)OC(C)(C)C)C(F)(F)F)nc1B1OC(C)(C)C(C)(C)O1 2282043555 NVLRJNFVSNCUBW-CYBMUJFWSA-N 476.305 2.295 30 10 JEEE CC(C)(C)OC(=O)NC1(C(N)=O)CCN(C(=O)c2csc(B3OC(C)(C)C(C)(C)O3)c2)CC1 2282194085 VDPVCNAPTXOKIH-UHFFFAOYSA-N 479.408 2.032 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CN(C(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)[C@]2(CCOC2)C1 2282204411 JKFFQGNEVMGPAS-IQMFZBJNSA-N 462.352 2.477 30 10 JEEE CCc1nc(C(=O)NC[C@@H]2COCCN2C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2282523869 DTNOQXNBXUIFDI-CQSZACIVSA-N 481.424 2.370 30 10 JEEE Cc1c(C(=O)N2C[C@H](C)N(C(=O)OC(C)(C)C)C[C@@H]2C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282554507 FKJLSZDJKUVWPM-GJZGRUSLSA-N 462.400 2.498 30 10 JEEE Cc1cc(C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)[C@H](CO)C2)oc1B1OC(C)(C)C(C)(C)O1 2282585174 ISKARRXYXVUWOJ-JKSUJKDBSA-N 464.368 2.235 30 10 JEEE Cn1nc(C(=O)N2C[C@H](CNC(=O)OC(C)(C)C)C(C)(C)C2)cc1B1OC(C)(C)C(C)(C)O1 2282610701 AMKRSIJGIQKCHC-HNNXBMFYSA-N 462.400 2.342 30 10 JEEE CC(C)(C)OC(=O)NCCC1(O)CCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)CC1 2282623218 NWJQJGMBQFQSPJ-UHFFFAOYSA-N 464.368 2.461 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)C[C@H]1CO 2282658263 VHPSNWMPSCHQPK-QFBILLFUSA-N 460.380 2.334 30 10 JEEE C[C@H]1CCN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C[C@H]1CNC(=O)OC(C)(C)C 2283059505 IOHOZVCGCCLZHP-JKSUJKDBSA-N 460.384 2.399 30 10 JEEE CN(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)ccc1F 2283950863 PRLPMJKVQFPTMZ-GOSISDBHSA-N 465.375 2.196 30 10 JEEE CC[C@](COC)(NC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)c(C)n1 2283965647 SVIVLUMWYRJTJU-JOCHJYFZSA-N 464.372 2.343 30 10 JEEE CN(Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)CC1(O)CN(C(=O)OC(C)(C)C)C1 2283988154 RHDAVIRWDKTJSB-UHFFFAOYSA-N 460.380 2.316 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)NC[C@H]1CCCN(C(=O)C(F)(F)F)C1 2285204484 SXHJSWNAIHKIGO-CQSZACIVSA-N 455.286 2.220 30 10 JEEE COC(=O)[C@@H](CS(=O)(=O)Nc1cc(C#N)ccc1Cl)NC(=O)OCc1ccccc1 2286029275 ZEBCRCCUPYNCGH-QGZVFWFLSA-N 451.888 2.421 30 10 JEEE CC(C)(C)OC(=O)NCC[C@H](O)C(=O)NCCc1c(F)cccc1B1OC(C)(C)C(C)(C)O1 2289650967 MGSBDTIDWXMMAS-SFHVURJKSA-N 466.359 2.059 30 10 JEEE CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)C(=C(C)NCCCc3nc(C)no3)C(=O)[C@@]12C 2297591173 UROJNVRKOHIDHM-DEOSSOPVSA-N 467.478 2.482 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](O)CN(c2ncc(Cl)cc2B2OC(C)(C)C(C)(C)O2)C1 2317242937 MTMMKCPSNJESJL-LSDHHAIUSA-N 453.776 2.499 30 10 JEEE CN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1F 2320555271 LSMLZXDZSRVVNL-TZMCWYRMSA-N 455.361 2.472 30 10 JEEE CCCNC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1N=Cc1ccc(OC)c(O)c1 2329013319 SDPBFJNCQOJHEL-INIZCTEOSA-N 474.587 2.217 30 10 JEEE CC(C)(C)OC(=O)NC1(CNC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)CCOCC1 2337404760 HVGYVMARDUHPPY-UHFFFAOYSA-N 467.397 2.246 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)NCc1sc(Cl)cc1B1OC(C)(C)C(C)(C)O1 2343813869 PJLXJLGDZOLSPT-LBPRGKRZSA-N 487.815 2.086 30 10 JEEE COc1nc(N2CCN(C)C[C@@H]2CNC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2365345018 WOCKMSJXQVYKQQ-INIZCTEOSA-N 462.400 2.035 30 10 JEEE COc1nc(N(CCNC(=O)OC(C)(C)C)CCN(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2365346785 ZQXHILSYVIFMOB-UHFFFAOYSA-N 464.416 2.282 30 10 JEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCc3ccc(C(=O)OC)cc3)nnc12 12427592 TVWFZZLWSSAJGO-UHFFFAOYSA-N 463.519 2.425 30 10 JEEE COc1ccc(/C=N/Nc2nnc(SCC(=O)Nc3ccc(OC)c(OC)c3)n2N)cc1 20292969 VUXDTMCHOWYLSC-SSDVNMTOSA-N 457.516 2.195 30 10 JEEE C=CCn1c(Sc2nc3c(c(=O)n(C)c(=O)n3C)n2C)nnc1-c1ccc(Br)cc1 59265867 BQTPLELUHYJPNZ-UHFFFAOYSA-N 488.371 2.329 30 10 JEEE CN(C)c1ccc(N2C(=NC(=O)c3ccc4c(c3)OCO4)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1 254383281 BIEDCAJMZLHPNA-VQIMIIECSA-N 459.549 2.397 30 10 JEEE CCn1cc(-n2c(=C(C#N)C(=O)Nc3ccccc3C)sc(=Cc3cnn4ccccc34)c2=O)cn1 729672276 GMXBJZUVOGFBAH-UHFFFAOYSA-N 495.568 2.213 30 10 JEEE N#C[C@H](C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1)C(=O)[C@H]1CCCN(C(=O)C2CC2)C1 729887774 CFBDIIZIQILBDW-RXVVDRJESA-N 486.594 2.157 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)NS(=O)(=O)c3ccccc3I)cc2C1=O 729917947 QTJWJPUJGYWBOL-UHFFFAOYSA-N 496.282 2.192 30 10 JEEE C#CC[C@@]1(C(=O)Nc2ccc(S(=O)(=O)CCO)cc2C)CCCN1C(=O)OC(C)(C)C 1156101574 DCWXIUISEKAYDT-QFIPXVFZSA-N 450.557 2.493 30 10 JEEE COC(=O)CCNC(=O)[C@H]1CS[C@@H](C)N1C(=O)c1ccc(COc2ccccc2C#N)o1 1161022485 BURLDHYBLOKCCX-WMLDXEAASA-N 457.508 2.313 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1CCN(C)Cc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1286387371 QHJIFPVNUTYNRS-NRFANRHFSA-N 482.585 2.238 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1CCNC(=O)c1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1286391295 DPFUJXNCTPBMOU-HXUWFJFHSA-N 471.627 2.232 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1cc(F)cc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1286392711 JSLKYTYKXKKYSX-UYAOXDASSA-N 462.547 2.342 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@](C)(O)c2ccc(F)cc2)CC1 1286492205 DRBSSGXPRKKKPP-UQBPGWFLSA-N 469.561 2.185 30 10 JEEE C=C(Cl)Cn1c(-c2cc(Br)cn2C)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1286623085 VHXIVAIIHYOIKN-ZDUSSCGKSA-N 454.760 2.355 30 10 JEEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](N2CCCC2)C1 1286688709 SNBHOILFOPZDNQ-VQTJNVASSA-N 466.652 2.032 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CCO[C@@]2(CCOC2)C1 1286782591 ZDRARKMKOWNFRF-SFHVURJKSA-N 468.377 2.067 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1286791745 BIMMEJWECJNJKS-HXUWFJFHSA-N 454.575 2.081 30 10 JEEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCN(c2ccc(C(F)(F)F)cc2)CC1 1286792955 NISKGYDCPCBLGJ-UHFFFAOYSA-N 452.481 2.462 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CCNC(=O)C(C)(C)C)C1 1286807839 GTUUYWIICPMBOP-KRWDZBQOSA-N 489.646 2.182 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2cccc(C(=O)NC)c2)C1 1286813506 WDRXXGMTFNXWPF-IBGZPJMESA-N 480.594 2.459 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 1286820801 RXIVVMRMFVKGGT-WOJBJXKFSA-N 462.620 2.428 30 10 JEEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1286824412 CKPNOWWESSQXRN-UHFFFAOYSA-N 470.599 2.101 30 10 JEEE CC(C)NC(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1288201377 DWVGPDUYHQFIDL-NRFANRHFSA-N 482.610 2.260 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1CCN1CCN(C(C)=O)CC1 1300284457 SFUMEVBENHIMKK-MRXNPFEDSA-N 489.418 2.338 30 10 JEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(=O)c2ccccc2F)CC1 1300410584 PDNJBQFXVFCVDV-SFHVURJKSA-N 473.574 2.085 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CC1(CC)CCOCC1)[C@H]1CCS(=O)(=O)C1 1300497255 AFIHXYHJVKTHTC-FQEVSTJZSA-N 457.600 2.097 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(O)CCCCCC1 1300657678 PGCPOBMSLFUPKF-UHFFFAOYSA-N 489.642 2.367 30 10 JEEE C#CCN(CCOC)c1nnc(CC2CCCC2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1300674672 BYCLUJROWIWGNQ-RTWAWAEBSA-N 463.648 2.301 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2Cc2ccc(OCCN(C)C)cc2)CC1 1300723699 ZTQCYABPIFMTAE-UHFFFAOYSA-N 450.587 2.110 30 10 JEEE C=C(Br)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1300850943 GKPPCMNZNONEAR-UHFFFAOYSA-N 477.382 2.317 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCC(N2CCNC2=O)CC1 1300874697 NJSXIGUQSTYRFT-YLJYHZDGSA-N 473.622 2.172 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCS(=O)(=O)CC1 1300875076 MMRAJYYKCPQNJF-OXJNMPFZSA-N 462.572 2.178 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1[C@@H]1CCCO1 1301151696 OYVKAYIMMXSESM-FHWLQOOXSA-N 467.636 2.361 30 10 JEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CCCCC2)CC1 1301223462 VWPBOWOSKLAOGE-FQEVSTJZSA-N 466.652 2.032 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCn2cc(Br)cn2)C1 1301566685 AQPSIKBRZLSCFC-JQHSSLGASA-N 481.395 2.443 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1C[C@H]1CCCS(=O)(=O)C1 1358875932 YZWKPUFLKUFEMJ-UONOGXRCSA-N 454.394 2.329 30 10 JEEE C#CCCCCn1c([C@@H]2CCOC2)nnc1N1CCCN(Cc2nc([C@@H](C)OC)no2)CC1 1358912548 SVZINMVLMDNKJX-RTBURBONSA-N 457.579 2.388 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1358967019 BMTOJGVQGFIVNP-IEGUWTFLSA-N 495.646 2.138 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@]1(O)CCSC1 1358991627 JLRHGYLVFCUZLV-DEOSSOPVSA-N 462.579 2.006 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@H](C)N(C)C)CC1 1359034967 HTVUEYAMWFEBSO-UXHICEINSA-N 459.639 2.098 30 10 JEEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@@H](C)N2CCN(CC)CC2)CC1 1359039191 ZIDHQTJSHXYGRR-XMMPIXPASA-N 479.673 2.255 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2Cc2ccc(NC(N)=O)cc2)CC1 1359044135 WQWPNTOURORBAC-UHFFFAOYSA-N 472.553 2.153 30 10 JEEE C=C(Br)Cn1c(-c2cnccn2)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 1359081448 BIPTZIXZUIIMDR-CYBMUJFWSA-N 478.376 2.489 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCN(CC(C)C)C(=O)C2)cc1 1359308263 IWPGCDLGHAGZIG-HXUWFJFHSA-N 487.626 2.098 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2Cc2cccc(CS(C)(=O)=O)c2)C1 1359318623 IVIDXJAZSOOFQZ-HXUWFJFHSA-N 456.572 2.053 30 10 JEEE CC(C)(C)S(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(N2CCCNC2=O)CC1 1359586189 CBOMSJPHHFHRBX-UHFFFAOYSA-N 499.641 2.414 30 10 JEEE CC(C)N(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](N2CCCC2=O)C1 1360112462 DWBKDXYXXALXIB-FQEVSTJZSA-N 451.575 2.270 30 10 JEEE CC#CCS(=O)(=O)c1cccc(C(=O)N(C)CCN2CCN(Cc3ccccc3)CC2)c1 1467931180 DAOAVIHHUJSSGO-UHFFFAOYSA-N 453.608 2.373 30 10 JEEE C#CC[C@@H](NC(=O)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1)c1ccccc1 1469448495 PNMYNOCGALIRKP-QGZVFWFLSA-N 455.565 2.472 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(N2CCSCC2)CCCCC1 1507516648 LUQGHMVUFGPMGW-ZWKOTPCHSA-N 468.693 2.098 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H]1CCS(=O)(=O)C1 1507533157 PWHDHYWDODKFTJ-DLBZAZTESA-N 465.620 2.285 30 10 JEEE C#CCCCCn1c(-c2cc(Br)cn2C)nnc1N(C)CC(=O)N1CCOCC1 1507555037 DEJAGMUIAJRDTQ-UHFFFAOYSA-N 463.380 2.145 30 10 JEEE C#CCCCCn1c(Cc2ccccc2F)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1507566275 IORGPTMJZZNMMD-NRFANRHFSA-N 489.617 2.442 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1CCc1cccc(C(=O)N(C)C)c1)[C@H]1CCS(=O)(=O)C1 1507634934 RJOHLDQFLAHQGG-NRFANRHFSA-N 485.654 2.438 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCN1CCSCC1 1507653111 NENUEMKAHHCCJV-UHFFFAOYSA-N 475.622 2.187 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1nc(C(C)(C)C)cs1 1507659871 HFRGMTNVCBZTHP-MRXNPFEDSA-N 462.645 2.348 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1 1507710908 MIFXQPSNWSSNRT-HSALFYBXSA-N 465.664 2.023 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC2CCCC2)nc1 1507710952 MQTSGQNMRAAYED-LJQANCHMSA-N 473.599 2.031 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(NC(C)=O)nc2)CC1 1507735109 KOXGPLMPFMUVCF-UHFFFAOYSA-N 482.548 2.184 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@]2(O)CCOC2)CC1 1507735356 UECGUWLUPLDKMH-QFIPXVFZSA-N 478.380 2.369 30 10 JEEE C#CCSCCn1c(Cc2ccccc2F)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1507757089 URMXIPQXAAOUBD-UHFFFAOYSA-N 465.620 2.235 30 10 JEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CCN2[C@H](C)CC[C@H]2C)CC1 1507835953 RUTRQOJLJMNEIA-FGZHOGPDSA-N 473.666 2.102 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCS(C)(=O)=O 1508042031 SAGLPRLCAAZYPJ-INIZCTEOSA-N 457.597 2.034 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CC[S@](=O)CC)C1 1508120017 XLGJLPHXUOZYQN-UGAOPGRHSA-N 470.599 2.225 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CCN1CCN(Cc2ccccc2)CC1 1538975607 ALLQLMLHMZNMQQ-BKMJKUGQSA-N 466.630 2.206 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H]1CCCN1S(C)(=O)=O 1538986582 NFTIQLGKVMEYTH-GDBMZVCRSA-N 451.980 2.489 30 10 JEEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@H]1CN(CC(C)C)CCO1 1539154627 JFUREBDXWMAFHB-LJQANCHMSA-N 457.575 2.397 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1cccc(C(F)(F)F)n1)[C@H]1CCS(=O)(=O)C1 1539211150 IPKBYDWEXUCKBD-INIZCTEOSA-N 476.484 2.429 30 10 JEEE C#CCN(c1nnc(C2CCC2)n1Cc1cccnc1OCC(F)F)[C@H]1CCS(=O)(=O)C1 1539220249 HROWSJLWRWLNCN-KRWDZBQOSA-N 465.526 2.260 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2CC2(C(=O)N(C)C)CCCC2)CC1 1539453627 NKFFORVRDNKCII-UHFFFAOYSA-N 452.578 2.412 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCc2nc(C)c(C)s2)CC1 1539459251 AWDJRACAIMTAKF-UHFFFAOYSA-N 469.640 2.341 30 10 JEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](C)Oc2cccc(OC)c2)CC1 1539460158 YNGNLMCIFNXFRS-NRFANRHFSA-N 463.586 2.371 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2cccc(C)c2)nnc1N(C)CC(=O)N1CCOCC1 1539644449 OQJGSWSXMRBPOH-YKSBVNFPSA-N 469.586 2.442 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(c2nccs2)CC1 1539704820 JEVIAMFNSNZIJB-INIZCTEOSA-N 452.606 2.028 30 10 JEEE C=C(C)COCCn1c(N2CCCC[C@H](S(C)(=O)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1539758835 AEXAZGGDBKFXRK-UGKGYDQZSA-N 470.636 2.315 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C(=O)NCC)cc2)CC1 1539889957 FKDGWDAUHVYZCU-HXUWFJFHSA-N 457.600 2.381 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(C2CCOCC2)CC1 1540866653 VKWMBOIOJXNUBN-UHFFFAOYSA-N 474.993 2.210 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCc2c(Cl)cccc2C1 1540897573 MYOQPNRBURIRLY-UHFFFAOYSA-N 463.991 2.331 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC=C(c2ccc(O)cc2)CC1 1540897768 RWXPIQJPFVLSNU-UHFFFAOYSA-N 471.583 2.114 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CCC2(CC1)CNC(=O)C2 1540901106 SNFGVUQRQHISFP-UHFFFAOYSA-N 463.991 2.306 30 10 JEEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(OC2CCCC2)CC1 1540916337 AHHSSRWJTFKFRP-FQEVSTJZSA-N 499.703 2.458 30 10 JEEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)NCC2(CO)COC2)c1 1545996215 MXQKKMAPXBYXCU-UHFFFAOYSA-N 450.944 2.460 30 10 JEEE C#CCN(C(=O)Cn1cc(S(=O)(=O)N(CC)CC)ccc1=O)[C@H]1CCCc2ccccc21 1585188888 HSCBFJXJWIXNLI-QFIPXVFZSA-N 455.580 2.418 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(=C)Br)c1 1587693159 PXKCTJOFECTVOT-MRXNPFEDSA-N 492.399 2.145 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CC1(O)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1588035331 RTHUEHURZGQSES-MRXNPFEDSA-N 496.431 2.358 30 10 JEEE C=C(Br)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@](C)(C(N)=O)C1 1589295102 CVOXZEJKQHZMIW-IBGZPJMESA-N 481.782 2.472 30 10 JEEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2cc(F)cc(C)c2C1 1594813155 PNHIKCYQTYBVEZ-NRFANRHFSA-N 493.605 2.214 30 10 JEEE C=CCOc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)Cc2ccccn2)cc1 1595614092 NJRQFZMQCZRWHD-JOCHJYFZSA-N 498.609 2.256 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1595778224 XEPHJSSZVNESTC-QGZVFWFLSA-N 490.504 2.331 30 10 JEEE Cc1c(C#N)c(NC(=O)CN2CCN(S(=O)(=O)C3CC3)CC2)n(-c2cccc(F)c2)c1C 1620428156 AVFPXYBSNIFROV-UHFFFAOYSA-N 459.547 2.153 30 10 JEEE C#CCN(CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@H]1CCc2ccccc21 1653214766 LJXRKMIDYPGEMP-QHCPKHFHSA-N 453.564 2.269 30 10 JEEE C#CCCCn1c(Cc2ccccc2OC)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1689933282 HUFNZMMOZRIONN-NRFANRHFSA-N 450.587 2.034 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C 1689998234 GJLVBWRENKNYSC-RBUKOAKNSA-N 454.575 2.232 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1690112499 ZFHNDVBXJZPACZ-RTBURBONSA-N 475.590 2.137 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCCOCC)CC1 1690154174 JTRFSVWRAVFIHV-BGYRXZFFSA-N 488.633 2.441 30 10 JEEE C#CCSCCn1c(COc2ccc(F)cc2)nnc1N1CCN(c2cccnn2)CC1 1690184134 DMZJCZUJUIIZIA-UHFFFAOYSA-N 453.547 2.479 30 10 JEEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1690218281 BDJRVAWXXJLGMO-UHFFFAOYSA-N 465.327 2.317 30 10 JEEE C=CC[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NS(=O)(=O)CC)CC1)c1ccccc1 1690444790 MBRUFYXRMVSSNE-PZJWPPBQSA-N 486.642 2.497 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](c2cc3ccccc3[nH]2)C1 1690661159 WCZSJKPYCRVAFD-FUHWJXTLSA-N 485.614 2.056 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1690720613 NQTMWNUNNVARGD-MSOLQXFVSA-N 475.615 2.236 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@H](C(C)C)N1CCOCC1 1705500363 MBILJISOTPZFSK-AOYPEHQESA-N 493.700 2.458 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCc1cccnc1)[C@@H]1CCS(=O)(=O)C1 1705562475 CXCUWSMWRAMJPT-GOSISDBHSA-N 456.959 2.258 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@@H]1CCCN1CC)[C@@H]1CCS(=O)(=O)C1 1705571323 YPRXSTVRDAWTNC-FCHUYYIVSA-N 455.628 2.174 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@H]1CCCN1CC)[C@H]1CCS(=O)(=O)C1 1705571329 YPRXSTVRDAWTNC-YADHBBJMSA-N 455.628 2.174 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CSCCS1 1705623476 SWRMHWYVFGAGAI-GOSISDBHSA-N 495.696 2.130 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCN(C)[C@@H](C)CC)CC1 1705648759 YIIBFPFXSJYCSY-CVDCTZTESA-N 480.613 2.487 30 10 JEEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1705660104 MUJZLGLSLCPZBG-INIZCTEOSA-N 459.538 2.433 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2cn3ccccc3n2)nnc1N(C)CCCS(C)(=O)=O 1705706389 TVAMIESMZAOIQP-GCJKJVERSA-N 472.615 2.369 30 10 JEEE C=CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1705810748 GWPKLHLAXVLKQF-UHFFFAOYSA-N 481.022 2.299 30 10 JEEE C=CCn1c(Cc2ccc(F)cc2)nnc1N1C[C@@H]2[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1705891213 JMQPQBPPIXUNRU-CEXWTWQISA-N 491.589 2.321 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC(N2CCCC2=O)CC1 1705894835 MNGMNMDZTOFHTR-UHFFFAOYSA-N 479.585 2.041 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC(C(N)=O)CC1 1705906460 GFLHXNBMGLCJGQ-UHFFFAOYSA-N 467.357 2.168 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@](C)(C(N)=O)C1 1705933631 NTLCJOYBVDRMNX-IBGZPJMESA-N 455.943 2.040 30 10 JEEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](CC)C1 1705938256 SLCLSBOLRVGOTO-MRXNPFEDSA-N 451.618 2.497 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC1([S@@](C)=O)CCC1 1722301223 KPIIFXQVVZKKGT-GSTQUKTASA-N 468.671 2.402 30 10 JEEE C#CCN(C)c1nnc(COc2ccc(OC)cc2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1722362141 LIVOAAZCQZRRBJ-UHFFFAOYSA-N 466.542 2.190 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@](C)(O)CCC)[C@H]1CCS(=O)(=O)C1 1722363771 BVGPJVRMIPNKGT-KSFYIVLOSA-N 466.554 2.325 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CN(CC(C)C)CCO1 1722389061 DRJJEZHRFRFDFL-JOCHJYFZSA-N 483.638 2.168 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CC=CCO1 1722398322 ZQHCGXOZTBNNIE-WOJBJXKFSA-N 455.559 2.395 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1722503557 LPOMWQYUGXAGSK-JZWVFAODSA-N 473.549 2.319 30 10 JEEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1722529578 WRKXAYWUAAVEDQ-UHFFFAOYSA-N 494.438 2.275 30 10 JEEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCN(CCN2[C@H](C)CC[C@H]2C)CC1 1722535081 YQFCISOPISJTLN-NHCUHLMSSA-N 454.623 2.323 30 10 JEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccccc1OC(F)F 1722639822 GKHWOGZZHQSTHL-QGZVFWFLSA-N 471.530 2.077 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCC(CC#N)CC1 1722697042 HMNSNONJGJZEBU-UHFFFAOYSA-N 474.569 2.497 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCC(=O)NC)C1 1722719234 RQMQZBGHMZVSTR-SFHVURJKSA-N 462.595 2.310 30 10 JEEE CN(C[C@@H]1CCCCO1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1729468127 BRGSULVPEJSZHL-CTNGQTDRSA-N 488.614 2.016 30 10 JEEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 1740598347 NLAODJDEPFQTOU-CDNNERCOSA-N 486.661 2.232 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CC1(CCOC)CCC1)[C@@H]1CCS(=O)(=O)C1 1740628343 XFXVFOUNXOMBRI-RTBURBONSA-N 450.605 2.353 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCC1(O)CCOCC1 1740646027 ORUNWXKLVKSJPM-UHFFFAOYSA-N 469.973 2.256 30 10 JEEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCc2ccc(Br)s2)CC1 1740698755 NFRRLTRCUYNSHI-UHFFFAOYSA-N 477.432 2.222 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2CC(=O)NCCc2ccccc2)CC1 1740706368 SQBRBULRIQEWIP-UHFFFAOYSA-N 462.598 2.260 30 10 JEEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(Cl)c1 1740716810 AGXDETGKBHBXKF-SFHVURJKSA-N 484.047 2.267 30 10 JEEE C#CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1740719077 HJRZVDRXEICAEC-UHFFFAOYSA-N 465.620 2.283 30 10 JEEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(=O)Cc2cccc(F)c2)CC1 1740782065 ACXOIXFLMRPIRM-LJQANCHMSA-N 475.590 2.177 30 10 JEEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)OCC)CC1 1740782754 NXDGNPPYAYIYEG-QGZVFWFLSA-N 464.567 2.441 30 10 JEEE C=CCCCCCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCS(=O)(=O)C1 1740857694 VRTHQYXZCYMRJV-QZTJIDSGSA-N 458.650 2.188 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1740964001 DVDBRSYGDJWWGU-DEOSSOPVSA-N 455.559 2.242 30 10 JEEE CN(C)C(=O)C1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(S(C)(=O)=O)CC2)CCCC1 1747523834 HFGBMGSDCJBHDV-UHFFFAOYSA-N 484.626 2.479 30 10 JEEE C#CCCCCn1c(Cc2ccncc2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1748718666 LSFYATLGDSYTBI-UHFFFAOYSA-N 460.586 2.447 30 10 JEEE C#CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@]1(C)CN(C2CC2)C1=O 1748790237 GQSSQMGKHLSRBI-DEOSSOPVSA-N 456.591 2.473 30 10 JEEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 1748804934 MNYPCDUVWTVILC-ZJSXRUAMSA-N 472.611 2.302 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H]2CCC[C@H]2OC)CC1 1748972740 POAVJKRVQIKWLH-TZIWHRDSSA-N 471.005 2.432 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2CC2(S(C)(=O)=O)CC2)CC1 1748984172 HNDDIVYQNSYVTQ-UHFFFAOYSA-N 487.626 2.075 30 10 JEEE C#CCN1CCN(c2nnc(-c3cnccn3)n2C[C@H](C)Cc2ccc(OC)c(OC)c2)CC1 1748987675 ZZCYCCOMXMPKPO-LJQANCHMSA-N 461.570 2.386 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2CCCc2nc(C)no2)CC1 1749019342 SKZKYSCIBKNGPS-UHFFFAOYSA-N 481.532 2.286 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C2CC2)C(=O)C1 1749020010 HZPQRIQGSIRSIG-UHFFFAOYSA-N 452.584 2.325 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(N(C)C)CCC[C@@H](C)C1 1749066484 KGVJEAXFJMPUOF-JDBUVZGPSA-N 492.690 2.114 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccn2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1749126345 BDZLQYRBUROSAU-HBFSDRIKSA-N 460.604 2.087 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(CCO)Cc1ccccc1OC 1749127130 JXTGPLPTOHKXSD-IPJJNNNSSA-N 455.559 2.218 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C(CC)CC)N2CCOCC2)CC1 1749304028 SOURFMHPMPZXPI-RTWAWAEBSA-N 465.664 2.474 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CC[C@](C)(N2CCOCC2)C1 1749729381 HVLLPHGWCCKOTH-QHCPKHFHSA-N 459.616 2.155 30 10 JEEE Cc1ccc(SCc2nnc(N3CCO[C@H](C#N)C3)n2CCS(=O)(=O)CC2CC2)cc1 1751587469 BIHJKRGKXVZMEF-GOSISDBHSA-N 461.613 2.432 30 10 JEEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 1760157506 RLEZQBUNYIWKHJ-NFBKMPQASA-N 480.661 2.370 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1ccc(COCC)cc1)[C@H]1CCS(=O)(=O)C1 1760190863 VIXCRQSLECOJEA-QHCPKHFHSA-N 479.606 2.475 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCc2nccn2C1 1760248970 GVABLJVMDJLUEW-PMACEKPBSA-N 499.616 2.132 30 10 JEEE C#CCN1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CCN(CC)C(C)C)CC1 1760254707 HNEBHZFWMUKFQR-UHFFFAOYSA-N 486.690 2.032 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCC(=O)N[C@H](C)CC)CC1 1760259167 ZKLXWZIKPPYBKH-GOSISDBHSA-N 454.575 2.022 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2Cc2cccc(Br)n2)CC1 1760268747 XKCRSKLHJUFGBJ-UHFFFAOYSA-N 468.359 2.445 30 10 JEEE C=C(C)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1760342163 XSDNABMTNZFSDN-HZPDHXFCSA-N 468.649 2.381 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cc2ccncc2)n1CC1(O)CCS(=O)(=O)CC1 1760478337 DRKGCLDFLWHJGT-UHFFFAOYSA-N 497.621 2.405 30 10 JEEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](CNC(=O)Nc2ccc(C)cc2)C1 1760506540 DCEVANZERNKXEF-ZWKOTPCHSA-N 475.619 2.421 30 10 JEEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1760564424 ZBEXIHIUWDJZPX-PMACEKPBSA-N 484.674 2.281 30 10 JEEE Cc1cc(C)n(CCCn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@H](S(C)(=O)=O)C2)n1 1762476102 BHKIZALSKQOSDL-NRFANRHFSA-N 483.598 2.256 30 10 JEEE CN(Cc1ccc(C#N)cc1)c1nnc(C(=O)N2CCCC2)n1C[C@@]1(N(C)C)CCSC1 1767061618 BEFOFIOLBYSMGZ-QHCPKHFHSA-N 453.616 2.459 30 10 JEEE COCC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2ccccn2)CC1 1769567088 HAMKKPZDDTUUTR-VWLOTQADSA-N 477.569 2.238 30 10 JEEE COCCN(C)CCCn1c(C(=O)N2CCCC2)nnc1N1CCCN(c2ccccc2C#N)CC1 1769773688 AGTLALMCKPFVFD-UHFFFAOYSA-N 494.644 2.071 30 10 JEEE C[S@](=O)C1(Cn2c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CCO[C@H](C#N)C2)CCC1 1770366861 HYUDSCIAUPILPM-TWJABYTCSA-N 492.646 2.423 30 10 JEEE O=C(C1=C(O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccccc1C(=O)O)c1ccc2c(c1)OCO2 1862629426 VVFABBOVZVBXGW-NRFANRHFSA-N 480.473 2.024 30 10 JEEE CC(C)[C@@H](C(=O)Nc1c(C#N)nnn1-c1ccc2c[nH]nc2c1)N1C(=O)c2ccccc2C1=O 1870143189 AYJKDRPDXVCGCE-IBGZPJMESA-N 454.450 2.275 30 10 JEEE COc1ccc(-n2nnc(C#N)c2NC(=O)CCCN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc1 1870155487 PNMOUJKXUXHUOH-UHFFFAOYSA-N 475.421 2.071 30 10 JEEE C=CCn1cc(OCC(=O)NCCc2ccc(OC)cc2)c(=O)cc1CN1CCC(N(C)C)CC1 1870642606 AYYPQVSIIRJMJM-UHFFFAOYSA-N 482.625 2.307 30 10 JEEE C=CCn1cc(OCC(=O)Nc2ccc(CC)cc2)c(=O)cc1CN1CCN(C(C)=O)CC1 1870723285 VCAHCWPDNMMDSL-UHFFFAOYSA-N 452.555 2.278 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)Nc2ccccc2)cn1CCN1CCOCC1 1870758353 ZTBKWNUYYGMKPH-UHFFFAOYSA-N 466.582 2.372 30 10 JEEE C=CCN1C[C@@H](C(=O)N2CCC(C(=O)NCCc3ccc(OCC)c(OCC)c3)CC2)CC1=O 1872917998 PZGQUOKAXBPJEM-NRFANRHFSA-N 471.598 2.416 30 10 JEEE CCCNC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1ccc(C(=O)O)cc1 1874338830 ZFVLQNRPMNFPID-SCWWFSKWSA-N 472.571 2.201 30 10 JEEE C=CCNC(=O)c1nc(C(=O)N2CCC(N(c3cc(N(C)C)ncn3)C3CC3)CC2)cs1 1890398870 XORQFVNPYFGNEZ-UHFFFAOYSA-N 455.588 2.189 30 10 JEEE COCCCn1c(C(=O)N2CC[C@@H](Oc3cc(C#N)ccn3)C2)cc2c(=O)n3ccccc3nc21 1890403221 GQSIOBURUDKSSM-GOSISDBHSA-N 472.505 2.246 30 10 JEEE CC1(C)OB(C=CCNS(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)OC1(C)C 1991326567 ICPBMCQBIYSDPT-NRFANRHFSA-N 466.340 2.118 30 10 JEEE CC1(C)OB(c2cccc(NS(=O)(=O)CCCCN3C(=O)c4ccccc4C3=O)n2)OC1(C)C 2029308567 SOZVKKXHOIMTKY-UHFFFAOYSA-N 485.371 2.199 30 10 JEEE CN(C(=O)[C@@H](F)C1(O)CN(C(=O)OC(C)(C)C)C1)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2180980526 JMMUPFFTXJJSIK-QGZVFWFLSA-N 464.343 2.269 30 10 JEEE CC(C)(C)OC(=O)NCc1nnc2n1CCN(c1ccc(B3OC(C)(C)C(C)(C)O3)cn1)C2 2241090762 MIEIPIHMIBFBNV-UHFFFAOYSA-N 456.356 2.017 30 10 JEEE Cc1cnc(N2CCN(C3CN(C(=O)OC(C)(C)C)C3)CC2)c(B2OC(C)(C)C(C)(C)O2)c1 2241123634 KQXORQWKNXAOIM-UHFFFAOYSA-N 458.412 2.431 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](O)CN1C(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2255810503 KQDCYPKTNZIVPC-KBPBESRZSA-N 452.382 2.147 30 10 JEEE Cn1ncc(C(=O)N[C@H]2CCCN(C(=O)OCc3ccccc3)C2)c1B1OC(C)(C)C(C)(C)O1 2255822349 LMVPLQJQBWUIRC-SFHVURJKSA-N 468.363 2.250 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CC[S@](=O)(=NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)C1 2255833874 IYHDNHOJBWPNBM-MDQXEJNYSA-N 471.410 2.348 30 10 JEEE C=C(CS(=O)(=O)Nc1nnc(CCNC(=O)OC(C)(C)C)o1)B1OC(C)(C)C(C)(C)O1 2255955135 JEECCYZJIJJMHV-UHFFFAOYSA-N 458.346 2.066 30 10 JEEE C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2256628950 OPKVGGSTIWRECF-WWGRRREGSA-N 454.398 2.499 30 10 JEEE CO[C@H]1C[C@H](CNC(=O)OC(C)(C)C)N(C(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267011042 ZQQJCLMIRIKEOZ-CVEARBPZSA-N 450.341 2.333 30 10 JEEE CN(CC[S@](C)(=O)=NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn1C)C(=O)OC(C)(C)C 2267259807 FGFSVYMYOMNOGD-YTTGMZPUSA-N 469.413 2.429 30 10 JEEE CC(C)(C)OC(=O)NC/C=C/CNS(=O)(=O)Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2267710043 MSSOSLJQNIRKTF-CMDGGOBGSA-N 466.409 2.486 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@@]1(C)C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2268702601 VXLYDVZSONPUAY-NRFANRHFSA-N 467.397 2.085 30 10 JEEE Cc1c(C(=O)N2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281803565 ZBYFGHSBYYEXKS-HZPDHXFCSA-N 460.384 2.109 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)[C@@H]2COC[C@@H]21 2281948314 UHENLSWKYSPPQI-MOPGFXCFSA-N 458.364 2.446 30 10 JEEE Cc1cc(C(=O)N2C[C@H](O)CC23CN(C(=O)OC(C)(C)C)C3)oc1B1OC(C)(C)C(C)(C)O1 2281968776 ZKGFIINPRAUQDE-OAHLLOKOSA-N 462.352 2.084 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H](CNC(=O)OC(C)(C)C)[C@@H](C)C2)n1 2281996184 LUEIPNIZBWFQIU-HOTGVXAUSA-N 462.400 2.435 30 10 JEEE C[C@@H]1CN(Cc2ccccc2)C[C@@H]1CCNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282174041 CSINHJMJFOWQFR-MJGOQNOKSA-N 453.396 2.002 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CNS(=O)(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)cc3)[C@@H]2C1 2282354133 MUFDEQUKZHSIGP-REPLKXPHSA-N 478.420 2.377 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@H](CNC(=O)c2ccc(F)cc2B2OC(C)(C)C(C)(C)O2)C1 2282404007 AKMCIIILASUELI-INIZCTEOSA-N 464.343 2.491 30 10 JEEE CN(Cc1ccccc1)[C@H]1CCCN(S(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C1 2282494175 XOKFJNYTMBFKNP-IBGZPJMESA-N 474.436 2.004 30 10 JEEE CS[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C 2282546582 MTBMSILOOCVHNH-HUUCEWRRSA-N 480.440 2.108 30 10 JEEE CN(C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1)[C@H](CNC(=O)OC(C)(C)C)C(F)(F)F 2282557417 VIMGRFJPNFFQQB-CYBMUJFWSA-N 476.305 2.247 30 10 JEEE COc1cc(C(=O)N[C@@H]2COC[C@@H]2NC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2282567796 SMRRBVYDBKDGKT-SJORKVTESA-N 462.352 2.016 30 10 JEEE C[C@@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)C[C@H]1CNC(=O)OC(C)(C)C 2282628845 PUKASMPEGNMIRA-HZPDHXFCSA-N 462.400 2.342 30 10 JEEE Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O 2282680582 PZCRFGBRSNUBAP-FUHWJXTLSA-N 460.380 2.252 30 10 JEEE CC(C)(C)OC(=O)N1[C@H]2C[C@H]1CN(C(=O)c1cc(B3OC(C)(C)C(C)(C)O3)c(O)cc1O)C2 2282915192 MNFRLNFDPVMYFI-KBPBESRZSA-N 460.336 2.231 30 10 JEEE C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C1 2283954723 HESTWBHJOYWHOY-HNAYVOBHSA-N 460.380 2.145 30 10 JEEE COC[C@@](C)(CC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)c(C)n1)NC(=O)OC(C)(C)C 2283988854 BRWRWYJMQREQBJ-JOCHJYFZSA-N 464.372 2.343 30 10 JEEE COC1([C@@H](NC(=O)OC(C)(C)C)C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)CCCC1 2284049202 PXUKIJZLFBSAHI-ZDUSSCGKSA-N 482.412 2.050 30 10 JEEE Cc1cnc(C(=O)N[C@H](C(=O)O)[C@@H](C)OCc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)c1 2284473892 DSQLKQYMWLLGMM-APWZRJJASA-N 454.332 2.478 30 10 JEEE CCOc1cc(C=Nn2c(COC)nnc2SCC(=O)OC)cc(Br)c1O 2331591957 STGNEXVMAUWKCQ-UHFFFAOYSA-N 459.322 2.439 30 10 JEEE Cc1scc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2CO)c1B1OC(C)(C)C(C)(C)O1 2343511971 QHJHAKLBSXDJGA-HNNXBMFYSA-N 466.409 2.410 30 10 JEEE COC[C@@]1(C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C=CCN1C(=O)OC(C)(C)C 2361492808 OJTWJYLAWOBQLA-JOCHJYFZSA-N 479.408 2.251 30 10 JEEE CC[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2362352431 DHTLOYPGLFVBAN-JKSUJKDBSA-N 462.400 2.485 30 10 JEEE CC(C)(C)OC(=O)NCCCN1CCN(C(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)CC1 2362564289 OWONSGYXRKHUCO-UHFFFAOYSA-N 480.440 2.115 30 10 JEEE C=CCn1cc(C(=O)N2CCOCC2)c(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc21 9731255 KNCQWPDSULLFFV-UHFFFAOYSA-N 459.568 2.225 30 10 JEEE COc1ccccc1/C=N/Nc1nnc(SCC(=O)Nc2ccc(OC)c(OC)c2)n1N 21319749 FMHQIQYDMFXSCL-SSDVNMTOSA-N 457.516 2.195 30 10 JEEE COCCn1cc(/C=N/Nc2nc(SCC(=O)Nc3sc4c(c3C#N)CCC4)n[nH]2)cn1 59886897 YNHPCNNSBSITOU-ODCIPOBUSA-N 471.572 2.246 30 10 JEEE Cc1nn(CCO)c(C)c1/C=N/Nc1nc(SCC(=O)NCCc2ccc(Cl)cc2)n[nH]1 59887892 ALTXSBAXDOTWCD-FOKLQQMPSA-N 476.994 2.161 30 10 JEEE COc1cccc([C@H]2c3c(nc(NCc4ccc5c(c4)OCCO5)[nH]c3=O)NC(=O)[C@@H]2C#N)c1O 72472571 UBVHHIWBRHKAEH-RDTXWAMCSA-N 475.461 2.091 30 10 JEEE CCN1CCN(c2c(/C=C3/SC(=S)N(C[C@H]4CCCO4)C3=O)c(C)c(C#N)c(=O)n2C)CC1 97475150 NKVDEUXWGMDXJC-PUMYGXPMSA-N 487.651 2.088 30 10 JEEE C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(COc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CC1 204866088 AWHFFUROXUFTMG-MRXNPFEDSA-N 490.410 2.306 30 10 JEEE C=C1C[C@@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)C[C@@H]2CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]3[C@@]12C 725435579 NEROJAIFUVJKBJ-HNRYTPJASA-N 478.582 2.042 30 10 JEEE COc1cccc(C(C)=NNc2nnc(SCC(=O)Nc3cccc([N+](=O)[O-])c3)n2N)c1 1084379954 HNZWXRCCNFTJSS-UHFFFAOYSA-N 456.488 2.476 30 10 JEEE CC(=NNc1nnc(SCC(=O)Nc2ccc3c(c2)OCCO3)n1N)c1ccccc1O 1084525373 IAYZRCRGQSFQOR-UHFFFAOYSA-N 455.500 2.036 30 10 JEEE C#CCN(CC(=O)Nc1ccccc1C(=O)Nc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1167958894 LYZWLOZOHVZYDF-SFHVURJKSA-N 455.536 2.008 30 10 JEEE COC(=O)C1(c2ccc(S(=O)(=O)N[C@H]3CCCN(c4ccc(C#N)cc4)C3=O)cc2)CC1 1211491169 FKQFVWLAITYODL-FQEVSTJZSA-N 453.520 2.237 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H](c1cccc(C)c1)N1CCOCC1 1286269778 HWRDZPHNKZCBOH-IRLDBZIGSA-N 450.587 2.354 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1CN(CC(C)C)CCO1 1286298996 RUWNJVXUPSDJPV-RBBKRZOGSA-N 466.634 2.267 30 10 JEEE C#CCN(c1nnc(-c2cccc(Br)c2)n1CCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1286384179 PYOIHVPSTDUAGU-LJQANCHMSA-N 492.443 2.430 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCS(=O)(=O)CC=C 1286445537 MUMDXNQLNSBONA-SFHVURJKSA-N 465.620 2.453 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCO2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1286460265 CLENAGIQTAOGBA-UYAOXDASSA-N 461.563 2.190 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@]2(N(C)C)CCSC2)CC1 1286484452 ODTHDQZXOJFEDQ-XMMPIXPASA-N 470.643 2.058 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@@H](c2ccc(F)cc2)N(C)C)CC1 1286490518 XBZNCZWSAXXXFZ-QFIPXVFZSA-N 476.560 2.143 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2cc(C)on2)CC1 1286493987 ILPBLJZGXXZWHR-KDURUIRLSA-N 497.600 2.359 30 10 JEEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1286512944 ZJZRKJDEUXCWRW-SFHVURJKSA-N 488.683 2.326 30 10 JEEE CC(=O)N1CCC[C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3ccc(C#N)cc3F)CC2)C1 1286855337 AYHHIMYXJAXAML-HXUWFJFHSA-N 496.591 2.012 30 10 JEEE C[C@@H]1C[C@@H](C)CN(CCCn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@@H](C#N)C2)C1 1291011045 DVPWOUPYDLIYBR-QRVBRYPASA-N 452.563 2.022 30 10 JEEE CCN(C)C(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1295080044 GQXYOOKYPQSOGQ-OAQYLSRUSA-N 462.558 2.068 30 10 JEEE CCN(c1nnc(-c2cccc(C#N)c2)n1CC1([S@@](C)=O)CCC1)[C@H]1CCS(=O)(=O)C1 1295173574 DQXBXKGMXSZNKU-YVGXBJCXSA-N 461.613 2.131 30 10 JEEE C#CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(CC(C)C)C(=O)C1 1300767466 ZGNCTWOWDDPLLH-UHFFFAOYSA-N 451.600 2.188 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@H]1CCCc2c1cnn2C 1300871354 BOAATMAMXHIRRD-HBXLWWENSA-N 477.635 2.117 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 1300872762 GZJHAVWHPGGRNU-SQNIBIBYSA-N 473.578 2.482 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](O)(Cc2cccc(Cl)c2)C1 1300952325 QXTHURYRLHLJFH-UGKGYDQZSA-N 496.033 2.024 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCC2CCOCC2)CC1 1301125556 PEOHZGVLYUHMTN-HXUWFJFHSA-N 467.636 2.220 30 10 JEEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1301188614 LGVZWVUSKLHDQP-LJQANCHMSA-N 455.588 2.130 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(C(=O)OCC)CC1 1301481731 OGWCOKGPZKZAGN-INIZCTEOSA-N 460.510 2.138 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCN(c2ccccc2)CC1 1301588399 YRHLPSCCCHTRAX-UHFFFAOYSA-N 452.584 2.191 30 10 JEEE N#C[C@@H]1CN(c2nnc(-c3cccc(Br)c3)n2C[C@H]2CCCS(=O)(=O)C2)CCO1 1303001640 FYMWMWBSIXJTNT-RHSMWYFYSA-N 480.388 2.261 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(OCC(F)(F)F)nc1 1303639953 HJKOLADKFCUMLO-HOCLYGCPSA-N 486.520 2.497 30 10 JEEE C[C@]1(C#N)CCCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](N2CCOCC2)C(F)(F)F)C1 1303934144 CFHDJIIZRJKERY-HRAATJIYSA-N 492.506 2.319 30 10 JEEE C#CCCCn1c(N2CCN([C@@H](C)c3nc(CC)no3)CC2)nnc1[C@@]1(OCC)CCOC1 1358936469 OJWIHECZZHVBIH-FDDCHVKYSA-N 457.579 2.172 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@@]1(N(C)C)CCSC1)[C@H]1CCS(=O)(=O)C1 1358958761 VNRSAKAPZKJSMN-CVDCTZTESA-N 489.667 2.018 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1(O)CCCC1 1358987249 YFVFTFGJIWZIHE-UHFFFAOYSA-N 454.600 2.315 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCOc2ccc(C)cc2)CC1 1359030682 BMFIRKMSHXJGGX-RUZDIDTESA-N 453.587 2.461 30 10 JEEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)NCC)CC1 1359122301 LACIEGPDMIKVAN-QGZVFWFLSA-N 463.583 2.014 30 10 JEEE C=C(C)COCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1359136576 NTAJHBPVCFACSA-PZJWPPBQSA-N 450.543 2.378 30 10 JEEE C=CCCCn1c([C@H]2CCCOC2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1359216145 PTCOEGIWBWJMKG-KRWDZBQOSA-N 466.633 2.414 30 10 JEEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCC(=O)N1 1359276463 DLFBCHKRLAPRPY-GOSISDBHSA-N 469.567 2.455 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](c2nc(C(C)C)cs2)C1 1359292194 KAZJNKGZFOMIBK-CVEARBPZSA-N 495.675 2.154 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1359296716 RRQYEQSXBSKDJE-GOSISDBHSA-N 461.570 2.489 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 1359298513 CDTYHHUVHOSAAU-SFHVURJKSA-N 464.526 2.022 30 10 JEEE COC(=O)[C@@H]1CC[C@@H](c2ccccc2)N1C(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 1448667303 BWRCYJUTPQXEOA-MNEFBYGVSA-N 455.536 2.409 30 10 JEEE C=CCn1c(S)nnc1Cc1csc(NC(=O)CCNC(=O)OCC(F)(F)F)n1 1472484299 CXKRLZFJMWACHJ-UHFFFAOYSA-N 450.468 2.417 30 10 JEEE CC(C)(C)OC(=O)CNC(=O)CN1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 1473352097 CUATUXGULVGSQC-QGZVFWFLSA-N 451.365 2.089 30 10 JEEE CNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C(C)C)N2CCOCC2)C1 1503745441 FPZHGMDOIBLMAU-FCHUYYIVSA-N 465.602 2.136 30 10 JEEE C#CCCCCn1c(N2CCO[C@H](CNC(C)=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1507573937 KIZYJSVWRADKBX-HSALFYBXSA-N 474.606 2.194 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1NC(=O)OC(C)(C)C 1507642589 LISDJLJIZHRLNL-QGZVFWFLSA-N 486.598 2.356 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1ccc(C(N)=O)nc1 1507713219 ZYCLCLRRCYTGEY-LJQANCHMSA-N 497.600 2.021 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@](O)(c2ccccc2)C(F)(F)F)CC1 1507731448 IXFVMHRLZYWFJH-PGRDOPGGSA-N 463.504 2.377 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@H](C)OC)CC1 1507739057 LPYGIUVAZDLKPJ-UYAOXDASSA-N 488.633 2.393 30 10 JEEE C=CCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1507941421 GWDPMEFQAKVNML-NRFANRHFSA-N 470.599 2.414 30 10 JEEE C=CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1508061695 HDSXOAKDWZMLLV-UHFFFAOYSA-N 476.006 2.261 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(C)=C(Br)C1 1508089093 VNRQELPMBKBDGL-UHFFFAOYSA-N 498.385 2.373 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC(=O)N2CCOCC2)C1 1508128705 OOUUJCZZVYCROP-IBGZPJMESA-N 461.950 2.151 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N(C)[C@H](C)CS(C)(=O)=O 1508135860 NKXPDGIKMZTTBG-CQSZACIVSA-N 461.009 2.069 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1508143348 YCDPRLXIZBQOJE-UHFFFAOYSA-N 479.632 2.243 30 10 JEEE CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1516811496 FGEOUTFCSXLMQE-UHFFFAOYSA-N 495.609 2.194 30 10 JEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1539132062 BZWIYKUEYZPAQM-AWEZNQCLSA-N 468.505 2.188 30 10 JEEE C#CCN(c1nnc(CN2CCCC2=O)n1CCC1CC(OC(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1539229600 FHFWLGHIVMUENK-IOJLRTSASA-N 491.658 2.011 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC(C)(C)COCC)CC1 1539434448 LTRXJZGMNWXNBP-UHFFFAOYSA-N 459.616 2.167 30 10 JEEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 1539803184 GQGYYSZLMFQSRW-KRWDZBQOSA-N 456.012 2.304 30 10 JEEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1540004735 FNCNABHCLNWHJO-KRWDZBQOSA-N 456.634 2.084 30 10 JEEE C=CCCOCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1540033733 PDWJGRLYMNCNAI-FQEVSTJZSA-N 456.572 2.347 30 10 JEEE C=CCCOCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(C(C)=O)C[C@H]1C 1540036432 MRKKLNVBUQHYFX-LJQANCHMSA-N 468.606 2.102 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1540867002 HMIGNHLNASFCAQ-QGZVFWFLSA-N 469.464 2.422 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1540872261 IINAWRMXPYIBIL-UHFFFAOYSA-N 482.482 2.205 30 10 JEEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCS(C)(=O)=O)C[C@]2(CCO[C@@H]2C)O1 1544721944 DHIROVGNQDKCLL-YVHKJVDXSA-N 459.572 2.024 30 10 JEEE CN(C)C(=O)[C@H]1CCCN1CCCn1c([C@@H]2CCOC2)nnc1N(C)Cc1cccc(C#N)c1 1552661405 BOEVEKRGUYKKMS-FGZHOGPDSA-N 465.602 2.233 30 10 JEEE CNC(=O)c1cc(O[C@@H]2CCCN(C(=O)[C@H]3CCN(c4ccc(C#N)cc4F)C3)C2)ccn1 1556861621 DFPHKWSGCQDXRT-PKOBYXMFSA-N 451.502 2.348 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)(C)C)n2CC2(C(N)=O)CCOCC2)c1 1587693188 QQRBSRVMYMCQID-UHFFFAOYSA-N 466.586 2.205 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H](C)Oc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1588050900 XMLULQVGQGNPOF-MOPGFXCFSA-N 466.567 2.138 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1ccccn1 1588139236 NVKZRZOHSQZQCY-HXUWFJFHSA-N 450.543 2.297 30 10 JEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1Cc1cccc(NC(=O)[C@H]2CCCO2)c1 1588245804 RIUMKPWSOGZGOC-JOCHJYFZSA-N 474.565 2.029 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCc2cccc(OCC)c2)CC1 1588962282 YWHGNONIVRJUTN-UHFFFAOYSA-N 478.597 2.008 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2C)nnc1N1CCN(CC(=O)NCCOC)CC1 1589515784 RZQHDFGCXUYRTH-QPPBQGQZSA-N 482.629 2.119 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CCOc2ccccc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1589557825 JFJYZIVDMMXDSJ-NZQKXSOJSA-N 489.642 2.353 30 10 JEEE C=C(Cl)Cn1c(-c2ccc3c(c2)OCO3)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1593852054 KLXDBFYATZJUGC-MRXNPFEDSA-N 468.963 2.456 30 10 JEEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1594615619 KUTNTAHLKZTGMV-FQEVSTJZSA-N 457.623 2.156 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(CC(=O)Nc2c(C)cccc2C)CC1 1595523102 PREXLNIYCIPCFE-UHFFFAOYSA-N 488.596 2.020 30 10 JEEE CC(C)C[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1)N(C)C 1603190510 CTNQZVOMKPBFKH-RXVVDRJESA-N 473.647 2.263 30 10 JEEE CC[C@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@H]1CCOC[C@@H]1OC 1613314234 HAOOBRJPXQXUIG-HQRMLTQVSA-N 456.595 2.083 30 10 JEEE CCO[C@]1(c2nnc(N3CCN(c4ccc(C#N)cn4)CC3)n2C[C@H](CC(C)C)N(C)C)CCOC1 1616252024 ASKJEIWMYASFNL-BKMJKUGQSA-N 496.660 2.500 30 10 JEEE C#CCNS(=O)(=O)N1CCN(Cc2csc(-c3ccc(Br)cc3)n2)CC1 1616927837 NLMYVQNQEGZTNG-UHFFFAOYSA-N 455.403 2.158 30 10 JEEE CN(C)C(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](Oc2ccccn2)C1 1617606204 HNKHVQSQXQHWGU-HXUWFJFHSA-N 461.526 2.260 30 10 JEEE COC(=O)[C@@H]1CN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C[C@H]1c1ccc(Cl)cc1 1654882925 BBAQYHQCUBWCDN-RBUKOAKNSA-N 471.945 2.045 30 10 JEEE CN(C)S(=O)(=O)c1ccccc1CNC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 1676320831 BJORTPVXAWZGCI-UHFFFAOYSA-N 457.556 2.393 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1Cc1ccc(-n2ccnc2C)nc1)[C@H]1CCS(=O)(=O)C1 1689979960 JQBAJAJRJDPNBZ-XLIONFOSSA-N 467.599 2.356 30 10 JEEE C#CCN(c1nnc([C@@H](CC)c2ccccc2)n1CCNC(=O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1689980924 ZMXDVZHAFAMICX-RTWAWAEBSA-N 471.627 2.219 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)s3)n2Cc2ccc(C(N)=O)nc2)CC1 1690115646 NURZCXLUFTYPQR-UHFFFAOYSA-N 486.399 2.067 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1690188793 PHXZUIWLLPWYQU-LAUBAEHRSA-N 468.524 2.159 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1690253637 RZRXDPHGKGXVRM-LSWJPFSZSA-N 469.586 2.406 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3)n2CCS(=O)(=O)N2CCSCC2)C1 1690691204 AIMXSHGGFZJQAJ-LJQANCHMSA-N 463.629 2.105 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCC(CN2CCOCC2)CC1 1690720629 OHLFIVWACIBRPM-UHFFFAOYSA-N 489.642 2.103 30 10 JEEE Cc1nc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)sc1C 1692911116 HUHLEDWNMJHJBW-AWEZNQCLSA-N 471.612 2.409 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H](C)c1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1705565861 XEMWINBZYLNGPA-HNAYVOBHSA-N 454.556 2.375 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CCOc1ccc(F)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1705569823 KJOUZTMEMPNECM-GOSISDBHSA-N 487.532 2.248 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccco1)N1CCCCC1 1705583210 SFZIYFRXCDDXBS-UXHICEINSA-N 455.584 2.073 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(Br)c3)n2CC2(S(C)(=O)=O)CC2)CC1 1705635219 UHBFJYJASISGGE-UHFFFAOYSA-N 478.416 2.040 30 10 JEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CCOc2ccccc2)CC1 1705652731 LFJNWBLRNAFCBL-UHFFFAOYSA-N 468.627 2.082 30 10 JEEE C#CCSCCn1c(COc2ccccc2OCC)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1705666052 MOIPXIRBKKEYIP-GOSISDBHSA-N 470.599 2.178 30 10 JEEE C=C(Br)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCNC(=O)[C@@H]1CC 1705688805 UYXXFNQLZWPPHL-LSDHHAIUSA-N 499.410 2.210 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1705786657 VBMKXQAETKTKLA-MRXNPFEDSA-N 483.708 2.494 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCC(S(=O)(=O)c2ccccc2)CC1 1705900075 PEVIPUZJPRDGSS-UHFFFAOYSA-N 454.556 2.018 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2ccc(Cl)cc2)C1 1705934515 ONASYDDLEYFGPD-MSOLQXFVSA-N 479.990 2.061 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H](n2cncn2)C1 1705935496 SZXWTEIEGSLVJF-IBGZPJMESA-N 459.551 2.042 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1C[C@]1(O)CCC[C@@H]1C 1706859479 APXXKGRQNWSXJT-HKARXFIJSA-N 472.615 2.480 30 10 JEEE CCC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(CC(=O)N(C)C)CC2)CCOCC1 1708889903 BDPGQKJPOOONKA-UHFFFAOYSA-N 495.628 2.146 30 10 JEEE CCN1CCN(C[C@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(CCOC)[C@@H](C)C2)CC1 1710292454 COOYLYMRDBTQAA-GOTSBHOMSA-N 494.688 2.247 30 10 JEEE CS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCN(CC(F)(F)F)C2)C1 1712691750 BLXUYNZRLFOKAL-SJLPKXTDSA-N 482.532 2.324 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1CCc1cccc(C(=O)N(C)C)c1)[C@H]1CCS(=O)(=O)C1 1722358308 GJNJGNAEPNYSKX-FQEVSTJZSA-N 471.627 2.147 30 10 JEEE C#CCN(c1nnc(-c2ccc3ccccc3n2)n1CCC(=O)NCCC)[C@@H]1CCS(=O)(=O)C1 1722364457 ZZUBRMOTIZNQJR-LJQANCHMSA-N 480.594 2.036 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1ccc(F)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1722366945 UGPKNMPBZHWPBL-GOSISDBHSA-N 457.506 2.217 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CCCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1722370485 NWLRHJVWQQMEJZ-FQEVSTJZSA-N 486.573 2.218 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCc1cc(F)cc(F)c1)[C@@H]1CCS(=O)(=O)C1 1722371131 HDKHBIMCTJVOPV-OAQYLSRUSA-N 488.564 2.287 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1722377892 IJZAWICIKDOFTM-UHFFFAOYSA-N 464.577 2.475 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2Cc2nnc(C)s2)CC1 1722441549 SGEUUXKEMMFWHS-UHFFFAOYSA-N 492.609 2.321 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccccc2OC)nnc1N1CCS(=O)(=O)CC1 1722500750 MVNGRTQQBZYZDL-DYESRHJHSA-N 462.572 2.082 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)NCC)CC1 1722508412 JAGBAPPWDQUJAD-YLJYHZDGSA-N 459.620 2.467 30 10 JEEE C=C(Cl)Cn1c(-c2cc(Br)cn2C)nnc1N1CCN(CC(=O)NC2CC2)CC1 1722546656 SPXPOADBZFFZFV-UHFFFAOYSA-N 482.814 2.199 30 10 JEEE C=CC[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](S(C)(=O)=O)C1)c1ccccc1 1722595051 SQGCNXZZLLPNCY-UXHICEINSA-N 457.600 2.497 30 10 JEEE C=CCCCCn1c(-c2ccc(Br)s2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1722598037 XFQJEHKRCWZCAH-CYBMUJFWSA-N 479.404 2.272 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1nnc2n1CCCCC2 1722655950 NMILLBSEFHSYTB-GOSISDBHSA-N 484.630 2.447 30 10 JEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(Oc2ccc(C)cc2)CC1 1722685756 LRCKLWHYOMJTHY-HXUWFJFHSA-N 461.588 2.153 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1722695932 VHVAEUZPLQTIRU-LJQANCHMSA-N 488.036 2.126 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCn2nc(C)nc2C1 1722706408 RCSKABYDHBXQBN-UHFFFAOYSA-N 477.356 2.386 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1c1ccccc1C 1722724049 LTNYVNGYIJXAFD-IEBWSBKVSA-N 481.644 2.139 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CC[C@H](c2ccccc2OC)C1 1722727628 NGGCQZHNEOEJOY-KRWDZBQOSA-N 456.572 2.282 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl 1722728502 WBZSYWKINCSOOM-WMLDXEAASA-N 457.387 2.356 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CCC(N2CCCC2=O)CC1 1722731470 LVUZJFCOLRYKEP-UHFFFAOYSA-N 491.589 2.188 30 10 JEEE C=CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1722734341 CADUTCPQXPEFCB-KRWDZBQOSA-N 486.598 2.354 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CC(C)(C)C(=O)NC 1727230086 HJJZAVGRSFRRHK-HXUWFJFHSA-N 481.601 2.418 30 10 JEEE CCN(CCCn1c(Cn2ccc3ccccc32)nnc1N1CC[C@@](F)(C#N)C1)S(C)(=O)=O 1728497902 HNLKACBBTRLLSL-JOCHJYFZSA-N 473.578 2.395 30 10 JEEE CN(Cc1ccc(C#N)cc1)c1nnc(C(=O)Nc2ccccn2)n1CC1(S(C)(=O)=O)CC1 1729397448 DYWAYRLMBRFASV-UHFFFAOYSA-N 465.539 2.011 30 10 JEEE C#CCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1740577463 FGADUKDRKKKOLY-UHFFFAOYSA-N 475.597 2.277 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2cccc(Cl)c2)n1Cc1ccn(C)n1)[C@H]1CCS(=O)(=O)C1 1740617287 PAPFYHOQFROSTL-LPHOPBHVSA-N 489.001 2.480 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCn1cc(Cl)cn1)[C@@H]1CCS(=O)(=O)C1 1740618777 BYYQPFIDOVBCTI-MRXNPFEDSA-N 480.381 2.170 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1CCc1ccncc1)[C@@H]1CCS(=O)(=O)C1 1740619793 LCFBIFVDULPHEE-HXUWFJFHSA-N 481.578 2.227 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1ccc(OC(C)C)nc1)[C@H]1CCS(=O)(=O)C1 1740624338 FMQNYXDFBPMAEN-NRFANRHFSA-N 480.594 2.121 30 10 JEEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1740647139 OMEJHNDVHVZJCH-REWPJTCUSA-N 497.562 2.435 30 10 JEEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1740669046 KMBVBUHLLWEBSS-QGZVFWFLSA-N 468.480 2.119 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@@H]2COCCO2)CC1 1740699739 RFXRTBLOUVLTHH-QGZVFWFLSA-N 466.369 2.335 30 10 JEEE C#CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1740716924 DXCLQUQDVXZYAA-WIYYLYMNSA-N 455.584 2.462 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(NC(C)=O)cc1 1740774195 OJBAVVYRDXPFTE-HXUWFJFHSA-N 476.603 2.020 30 10 JEEE C=C(C)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCN(CCOC)[C@H](C)C1 1740783380 HVMMOBSARSCLKJ-HSZRJFAPSA-N 467.662 2.376 30 10 JEEE C=CC[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cnn(C)c2)CC1)c1ccccc1 1740856138 ZIRICSXFFQNVGN-CTNGQTDRSA-N 498.657 2.308 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(C)=O)CC1 1740968551 KDCSMHAYVVGJIG-UHFFFAOYSA-N 454.575 2.478 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2CCCN(C(C)=O)C2)C1 1740973786 DLAZTXVEJFUXLW-PZJWPPBQSA-N 487.626 2.388 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(C(=O)c2c(F)cccc2F)CC1 1740985766 LDNWZGBLWGHMKN-UHFFFAOYSA-N 467.542 2.243 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ncccc2F)CC1 1740987782 MDDIAYCNKRFHOK-UHFFFAOYSA-N 481.557 2.278 30 10 JEEE CC[C@H](C)N(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)OC)CC1 1743876126 HTYPUPGOMUXWIA-SFHVURJKSA-N 455.563 2.347 30 10 JEEE C#CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1748735002 LUZXXHMMMWAYSF-QGZVFWFLSA-N 460.560 2.375 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(Br)c2)n1Cc1nnnn1CC1CC1 1748950768 PXZAUWHFXCCPLC-UHFFFAOYSA-N 471.363 2.238 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC2([S@@](C)=O)CC2)CC1 1748991231 UBJALXXFMVMRJG-GPWHBBDMSA-N 490.674 2.059 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H]2CCCCS2(=O)=O)CC1 1748992637 CHIGMTSYWFVEFG-FQEVSTJZSA-N 462.019 2.245 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H](OC)C1 1749122251 UNCYFCKZLBTURM-SVFBPWRDSA-N 475.615 2.402 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N1CCS(=O)(=O)CC1 1749139120 BJVRLLSKUAXWHM-OXQOHEQNSA-N 450.536 2.212 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1c2ccccc2C[C@@H]1C 1749575865 YIPJZVPALXHXIQ-SIKLNZKXSA-N 486.642 2.241 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN2CCOC[C@H]2C1 1749725131 QKFIYWLLPLDZEW-OAQYLSRUSA-N 473.643 2.364 30 10 JEEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1749752020 HFMOSJBJSCJASL-UHFFFAOYSA-N 468.587 2.140 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1C[C@@H](C)N(C)C 1750965002 AOKLMUMVKIAWGH-MRXNPFEDSA-N 458.998 2.218 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCCN1CCN(c2ccncc2)CC1 1760099091 CEHLPGSSMIBNKW-BKMJKUGQSA-N 481.645 2.384 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 1760116679 IYSFTCAUMLCLPL-OKZBNKHCSA-N 477.631 2.428 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(Cc2csc(C)n2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1760119288 XCTNIEWDTLGKIV-OAHLLOKOSA-N 455.588 2.346 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)O[C@H](c2ccsc2)C1 1760155382 XAJCMFDTJFNIQA-NEWSRXKRSA-N 479.628 2.052 30 10 JEEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1760278956 MRDDAQCFJGCVKU-UHFFFAOYSA-N 450.547 2.382 30 10 JEEE C=C(C)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CC(=O)N1CCOCC1 1760345716 PMJBOYDUAQRODW-SFHVURJKSA-N 462.595 2.264 30 10 JEEE C=C(C)COCCn1c(COc2ccccc2F)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1760361957 XCOSUDNZHALEDN-SFHVURJKSA-N 472.521 2.062 30 10 JEEE C=C(Cl)Cn1c([C@H]2CCCOC2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1760375149 GHNWJJZNYGVHLH-ROUUACIJSA-N 451.015 2.494 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1760411854 FBNVRPFUQWVTJT-ZWKOTPCHSA-N 484.630 2.159 30 10 JEEE CC(C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1761247262 DYXUVDVIYMTTJS-UHFFFAOYSA-N 466.590 2.362 30 10 JEEE CN1CCCC(C)(C)[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1 1767515932 FZQOUWFFVXCWNX-FQEVSTJZSA-N 451.575 2.175 30 10 JEEE CN(C)C(=O)[C@@H]1CCCN1CCCn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@H](C#N)C1 1768426900 AZGFNSKVGKQGCU-UXHICEINSA-N 471.993 2.270 30 10 JEEE COC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCc2cnn(C)c2)C1 1769398070 HHURYOYUELIEDE-HXUWFJFHSA-N 463.542 2.484 30 10 JEEE COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2CCN(C(=O)OC)CC2)C[C@H](C)O1 1770960212 FQRSWGOKZDRNEW-PGRDOPGGSA-N 498.584 2.447 30 10 JEEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cc(C)no2)C[C@H]1C 1771149299 BNQWPPPLEVKIGX-GOSISDBHSA-N 451.531 2.230 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCc2oncc2C1 1772660347 FZBIXKCMMTWDPD-UHFFFAOYSA-N 459.528 2.114 30 10 JEEE O=C(C1=C(O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccc(O)c(O)c1)c1ccc(F)cc1F 1862416536 HFIDPPJHLHWMRY-FQEVSTJZSA-N 460.433 2.287 30 10 JEEE O=C(C1=C(O)C(=O)N(CCN2CCOCC2)[C@@H]1c1cccc(O)c1)c1ccc2c(c1)OCO2 1862625617 KSPVFGHQLFMSIM-OAQYLSRUSA-N 452.463 2.031 30 10 JEEE CCC[C@@H](NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(=O)N1CCN(c2ncccn2)CC1 1868795395 KZVLRYJYLARTAQ-NHCUHLMSSA-N 495.653 2.448 30 10 JEEE N#Cc1nnn(-c2cccc(F)c2)c1NC(=O)CCCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 1870155658 YOYWDUJCPHFHFR-UHFFFAOYSA-N 463.385 2.201 30 10 JEEE CC(C)(C)OC(=O)NC1(CC(=O)N[C@H](CS)C(=O)O)CCN(Cc2ccccc2)CC1 2009963276 RFOBZSPJVSSVHK-QGZVFWFLSA-N 451.589 2.435 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2COCC[C@]2(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C1 2124620602 JCULQAQBYIDMRE-OTPAQWSUSA-N 454.571 2.497 30 10 JEEE CC1(C)OB(c2cccc(C(=O)N=c3ccc(I)n[nH]3)c2)OC1(C)C 2134994534 QJEUJSCVTHAROJ-UHFFFAOYSA-N 451.073 2.055 30 10 JEEE Cc1cc(C)c(C(N)=NO)c(-n2c(C)nc(I)c2I)n1 2145232377 RCOMESNMWICZDU-UHFFFAOYSA-N 497.078 2.496 30 10 JEEE CC(C)(C)OC(=O)NC[C@H](C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1)[C@@H]1CCOC1 2206623997 STDRLKBRKGAVAP-WBVHZDCISA-N 461.368 2.497 30 10 JEEE Cc1cc(S(=O)(=O)NCCNOCc2ccccc2)sc1B1OC(C)(C)C(C)(C)O1 2247875990 HDGGWSDHHMZFQP-UHFFFAOYSA-N 452.407 2.355 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H]1NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2247881281 VETHALXCJHSYPH-KBPBESRZSA-N 458.411 2.381 30 10 JEEE CC1(C)OB(c2scnc2C(=O)N[C@H]2COCCN(C(=O)OCc3ccccc3)C2)OC1(C)C 2255643266 RMSIDTZJUSFAFF-QGZVFWFLSA-N 487.387 2.210 30 10 JEEE C=C(CS(=O)(=O)N1C[C@H](OC)C[C@H]1CNC(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2255799492 JJHUIANSOLBDHD-JKSUJKDBSA-N 460.402 2.118 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(CN(C)C(=O)[C@@H](CO)NC(=O)OC(C)(C)C)s1 2256611872 ATYWCEXJSXBUBE-OAHLLOKOSA-N 454.398 2.200 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)[C@@H]2COC[C@H]12 2266997534 MZBUOYAOIWSXAD-KBRIMQKVSA-N 464.393 2.411 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2[C@H](NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)cs3)CO[C@H]2C1 2267138346 UKJBQZNHAZKSSA-XHSDSOJGSA-N 464.393 2.411 30 10 JEEE CC(C)(C)OC(=O)NC1CC(NS(=O)(=O)Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2267468025 ROSJHQJHKYYODG-UHFFFAOYSA-N 466.409 2.461 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2C(NS(=O)(=O)Cc3ccsc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2267469408 VCBLRPGZMYQTLC-GJZGRUSLSA-N 484.449 2.332 30 10 JEEE CON(CCNS(=O)(=O)Cc1ccccc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2267473342 DJGJDZMUZJCUQE-UHFFFAOYSA-N 470.397 2.204 30 10 JEEE Cc1c(C(=O)N2C[C@H]3CC[C@H]2[C@@H]3NC(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281799571 XNPWFAOESYMEGG-HLLBOEOZSA-N 460.384 2.155 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1CCC[C@H]1NC(=O)OC(C)(C)C 2282006553 WKBZYRLTKIFMIL-JKSUJKDBSA-N 462.400 2.451 30 10 JEEE C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)CCN1C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282044990 XJRKHJKXGWKLND-HOTGVXAUSA-N 462.400 2.485 30 10 JEEE Cn1cc(C(=O)N2CCC[C@@H](CCNC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2282050722 CWWCZHJVCMJGFT-INIZCTEOSA-N 462.400 2.486 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)C[C@@]12CCOC2 2282151786 WCBNESTZNFOWIR-RCDICMHDSA-N 479.408 2.341 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H]([S@](C)(=O)=NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2282189380 JMJULSQRLZDVQC-UUBFPDNSSA-N 480.396 2.023 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@H]2CCN(C(=O)c3ccoc3B3OC(C)(C)C(C)(C)O3)C[C@@H]21 2282203665 PLJHPCZUORXGDC-IRXDYDNUSA-N 462.352 2.429 30 10 JEEE CC(C)(C)OC(=O)NCCCN(CCO)C(=O)c1c(F)cccc1B1OC(C)(C)C(C)(C)O1 2282475380 NZHDJLYCBDFULX-UHFFFAOYSA-N 466.359 2.474 30 10 JEEE C[C@@H](NC(=O)c1occc1B1OC(C)(C)C(C)(C)O1)C1(O)CCN(C(=O)OC(C)(C)C)CC1 2282528347 QQWYBFBLBUZFJW-OAHLLOKOSA-N 464.368 2.459 30 10 JEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N(CCNC(=O)OC(C)(C)C)CCN(C)C 2282560619 FUYLMYWNWALSGB-UHFFFAOYSA-N 465.400 2.416 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC12COC(CNC(=O)OC(C)(C)C)(C1)C2 2282576917 XUSIFWIURADTCU-UHFFFAOYSA-N 479.408 2.307 30 10 JEEE C[C@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)C[C@H]1CNC(=O)OC(C)(C)C 2282628846 PUKASMPEGNMIRA-JKSUJKDBSA-N 462.400 2.342 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NCC[C@H]1CN(C(=O)OC(C)(C)C)CCO1 2282691238 HBBKMLZWJUATJV-KRWDZBQOSA-N 463.384 2.080 30 10 JEEE CN(Cc1ccccc1)C1CCN(S(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CC1 2282833619 YMMQUIQUTQJPCK-UHFFFAOYSA-N 474.436 2.004 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2COC[C@]2(C(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)C1 2284019610 ANZBLXWWAHZKHX-IQMFZBJNSA-N 459.352 2.203 30 10 JEEE COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1NC(=O)[C@H]1COC[C@@H]1NC(=O)OC(C)(C)C 2284035896 GODRVZGFAPIGLE-RDJZCZTQSA-N 462.352 2.473 30 10 JEEE CC(C)(C)OC(=O)NC[C@]12CO[C@](C(=O)NCc3cnc(B4OC(C)(C)C(C)(C)O4)s3)(C1)C2 2284049749 VMNAMGJVADAOBE-SZPZYZBQSA-N 479.408 2.132 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N1CCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C1 2284065798 LXWPIJCXCUUJPQ-IBGZPJMESA-N 460.380 2.146 30 10 JEEE CC(C)(C)OC(=O)NCc1nc(CNC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)cs1 2286746229 GJCYWFKTASYKQR-UHFFFAOYSA-N 475.380 2.187 30 10 JEEE COc1ccccc1[C@@H]1C(=C(O)c2c(C)nc3ccccn23)C(=O)C(=O)N1CCN1CCOCC1 2296125625 KQVYSCBXKYJFHF-HSZRJFAPSA-N 476.533 2.405 30 10 JEEE O=C1C[C@H](c2nnc(S)n2N=Cc2ccccc2S(=O)(=O)O)CN1Cc1ccccc1 2322249321 JFCWLMSIGHFVBV-INIZCTEOSA-N 457.537 2.212 30 10 JEEE CCN(CC)C(=O)CSc1nnc(CNC(C)=O)n1N=Cc1cc(Cl)c(O)c(OC)c1 2330717964 RHHHXFDIJDXOKG-UHFFFAOYSA-N 468.967 2.125 30 10 JEEE CO[C@@H](CNC(=O)OC(C)(C)C)CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2339877959 GIJBWHIQMAJIBQ-CQSZACIVSA-N 469.775 2.304 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@H](CN=c2cc(B3OC(C)(C)C(C)(C)O3)c(F)c[nH]2)C1 2345724420 KZVQFEZIFMOGLE-OAHLLOKOSA-N 451.348 2.237 30 10 JEEE CN1CCN(c2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)[C@@H](CNC(=O)OC(C)(C)C)C1 2345735020 MYRXPYMLKQBAMU-HNNXBMFYSA-N 450.364 2.165 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1COC(C)(C)[C@@]1(C(=O)O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 2346919117 MJBHTIJOQJPRLC-KHCICDEESA-N 458.559 2.222 30 10 JEEE Cc1cc(NC(=O)[C@@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C)cc(B2OC(C)(C)C(C)(C)O2)c1 2360584564 QVZULPTYXWNKQI-QGZVFWFLSA-N 482.408 2.171 30 10 JEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)CN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2362453429 VNWPTFOLCOQCHY-HOTGVXAUSA-N 462.400 2.437 30 10 JEEE CC(C)(C)OC(=O)N1CC(c2c[nH][nH]c2=NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)C1 2380506036 YESNDQMIQDLYNC-UHFFFAOYSA-N 475.380 2.174 30 10 JEEE CCCCCOc1ccc(C(=O)NC(=S)Nc2ccc(S(=O)(=O)N=C(N)N)cc2)cc1 14029582 VRPSOPCWQDQXCO-UHFFFAOYSA-N 463.585 2.345 30 10 JEEE CCOc1ccc(NC(=O)CSc2nnc(N/N=C/c3cc([N+](=O)[O-])ccc3O)n2N)cc1 20527367 ACWOLNPDBMAFGH-UFFVCSGVSA-N 472.487 2.181 30 10 JEEE O=C(N[C@@H]1CCNC[C@@H]1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 585840319 VSUISZQAVPAPCJ-NAIUUPAUSA-N 469.410 2.402 30 10 JEEE COc1ccc(OC)c(NC(=O)CSc2nnc(NN=Cc3ccc(N(C)C)cc3)n2N)c1 1083892582 DBRCNUSQHXZQSO-UHFFFAOYSA-N 470.559 2.252 30 10 JEEE COc1ccc(C(C)=NNc2nnc(SCC(=O)Nc3ccccc3[N+](=O)[O-])n2N)cc1 1084298898 UBWFNSJHPLAFBN-UHFFFAOYSA-N 456.488 2.476 30 10 JEEE C=C(C)C[C@@H](CO)NC(=O)c1cc(Br)cn(CCNC(=O)OC(C)(C)C)c1=O 1175922626 CYNKFJCDIJNGJU-AWEZNQCLSA-N 458.353 2.192 30 10 JEEE C#CCCNC(=O)Nc1ccc(N2CCOCC2)c(S(=O)(=O)Nc2ccc(OC)cc2)c1 1214572743 PPUUUCXGTJUFAV-UHFFFAOYSA-N 458.540 2.477 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCCN1CCN(CC)CC1 1286288104 GFVNERHAAZITPU-LJQANCHMSA-N 462.602 2.470 30 10 JEEE C#CCCCCn1c(Cc2ccsc2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1286333471 IFWDNGSNAKEGAY-FQEVSTJZSA-N 477.656 2.365 30 10 JEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCOC[C@@H]1CCCO1 1286362178 CWFDPHHXTVPKOA-SFHVURJKSA-N 460.604 2.202 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@H]1CCCc2cccnc21)[C@@H]1CCS(=O)(=O)C1 1286381623 NTBGUSKBBYIAPW-TZIWHRDSSA-N 498.653 2.338 30 10 JEEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1cccc(C(C)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 1286392649 MLQRTSLYAKCGMW-LJQANCHMSA-N 491.564 2.187 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCNC(=O)[C@@H](C)CCC)CC1 1286476386 VVZHRDLVWPMYLZ-IBGZPJMESA-N 466.586 2.024 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2Cc2nncn2C)CC1 1286487602 GTPRPWKTYCDTJW-IBGZPJMESA-N 476.585 2.178 30 10 JEEE C#CCSCCn1c(N2CCN(C(=O)N3CCCCC3)CC2)nnc1[C@]1(OCC)CCOC1 1286511662 CGWGCAYAMPSCDD-QHCPKHFHSA-N 476.647 2.025 30 10 JEEE C=CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCO[C@@H](C(=O)NC)C1 1286700045 XPLDJRIDJQWXDX-QZTJIDSGSA-N 462.595 2.310 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N(C)C)c(F)c1 1286773991 WVTDTZOXFQJKCB-KRWDZBQOSA-N 451.568 2.072 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCc3cccnc32)C1 1286800848 RQBLASFIKIXJQA-YTQUADARSA-N 460.604 2.185 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C2CCC2)CC1 1286815100 LHQQHUPDZTUXBJ-UHFFFAOYSA-N 475.615 2.238 30 10 JEEE C=CCSCCn1c(-c2cc(Br)cn2C)nnc1N(C)CC(=O)N1CCOCC1 1286825986 SRFYBQKCUWLEQL-UHFFFAOYSA-N 483.436 2.260 30 10 JEEE CCCC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)CC)CC1 1293766180 DYNZDTUCTWRGNG-UHFFFAOYSA-N 458.588 2.137 30 10 JEEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)Cc1ncnn1CC(F)F 1300411175 RJSGGDIRJMVPGF-UHFFFAOYSA-N 470.532 2.359 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Cl)n1C[C@@H](C)CN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1300486954 CIODGVPWZVHSSH-RBUKOAKNSA-N 492.045 2.194 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccc(Br)cc2)n1C[C@@]1(O)CCO[C@H]1C 1300548844 QHUHTTOSHGKUOE-KKSFZXQISA-N 459.344 2.232 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC(=O)N(C)Cc1ccccc1 1300559016 HHTTVHSADDSGDU-AREMUKBSSA-N 463.582 2.440 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C(F)F)c1 1300578780 OZPVONLDKDHWJR-LJQANCHMSA-N 477.537 2.060 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@](C)(O)CCC 1300672328 YVTCVSROVIONHB-FDDCHVKYSA-N 465.595 2.224 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2Cc2nncn2CC)CC1 1300715859 GNVDBNODXRTLLO-QGZVFWFLSA-N 480.548 2.183 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CCCc2nc(C)no2)CC1 1300726472 MGXONPJPKYUWQB-UHFFFAOYSA-N 465.533 2.298 30 10 JEEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(=O)CC2CCCC2)CC1 1301017069 GPABBZRSDVPBMX-MRXNPFEDSA-N 473.043 2.260 30 10 JEEE C=CCN(c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCS(C)(=O)=O)C1CC1 1301326946 JOJBYAZOBXIARM-QGZVFWFLSA-N 469.608 2.176 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccnc2)n1C[C@]1(O)CCS(=O)(=O)C1 1301351478 UFHIFFDUEMYNNU-JOCHJYFZSA-N 457.531 2.221 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(C(N)=O)CCCC1 1301425432 VNBBULSDTRHCBK-SFHVURJKSA-N 492.621 2.271 30 10 JEEE C=CCn1c(COc2ccccc2OC)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1301472816 QHXKDPSGHGHEPF-NRFANRHFSA-N 470.618 2.283 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)C[C@@H]1CCOC1 1301589180 OQUMIWXSRPPONR-RBUKOAKNSA-N 497.662 2.466 30 10 JEEE CC(C)(C)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCN2S(C)(=O)=O)CCO1 1302119706 DZXRTPHALQRUAH-UXHICEINSA-N 472.615 2.492 30 10 JEEE CC(C)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCO[C@H]2C)CC1 1303198596 GHZRYDHMJGHPJM-YADARESESA-N 454.575 2.047 30 10 JEEE C[C@H]1N(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)N2CCSCC2)CCOC1(C)C 1305239409 AETHQYODHBDHQR-QGZVFWFLSA-N 490.655 2.199 30 10 JEEE CCn1cnnc1Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@](F)(C#N)C1 1313857045 FCJIMEYRCVYTDQ-OPAMFIHVSA-N 473.557 2.494 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1CCCN1CCCO 1358870149 GUWRGCQBCDPJSY-PXNSSMCTSA-N 458.994 2.166 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCCN1CCC[C@@H]1CO 1358885926 ULUNOSVNKALKNQ-VQTJNVASSA-N 477.613 2.370 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1(c2ccccc2)CC1 1358929857 JLSASQZYBZEMMD-FQEVSTJZSA-N 457.600 2.192 30 10 JEEE C#CCN(C)c1nnc(COc2ccccc2F)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1358954029 SDEWDPMWAVXAOH-MJGOQNOKSA-N 461.563 2.270 30 10 JEEE C#CCN(C)c1nnc(COc2ccccc2F)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1358954030 SDEWDPMWAVXAOH-PKOBYXMFSA-N 461.563 2.270 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCSc1ccccc1)[C@H]1CCS(=O)(=O)C1 1358960329 BVDXNVKPWUCNTM-SFHVURJKSA-N 456.597 2.098 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CC(=C)Br)[C@@H]1CCS(=O)(=O)C1 1358966577 ROYBTCQPWMYMLH-QGZVFWFLSA-N 490.383 2.264 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@H]1CCSC1)[C@@H]1CCS(=O)(=O)C1 1358968033 XZTWLXAZZJRIMG-IAGOWNOFSA-N 464.588 2.376 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCc1nccs1 1358987966 YLYXBAXRYJCDGI-UHFFFAOYSA-N 468.608 2.358 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 1359024081 DXZGKGZIURKJCD-GOTSBHOMSA-N 453.587 2.159 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H]2CCCCN2CC)CC1 1359040065 GQBCCTPNPOIRBD-OAQYLSRUSA-N 471.650 2.037 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 1359048174 HWUDTYZSNNLTQY-GOSISDBHSA-N 470.599 2.314 30 10 JEEE C#CCSCCn1c(N2CCN(c3ccc(F)cn3)CC2)nnc1[C@]1(OCC)CCOC1 1359062222 ZOJJLOTWAHMOQE-QFIPXVFZSA-N 460.579 2.157 30 10 JEEE C=C(Br)Cn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@H](C(=O)OC)C1 1359082161 AWSXGXPPVFXOTM-GFCCVEGCSA-N 452.309 2.304 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)CC(C)(C)CN1CCOCC1 1359089105 BIKBAZNPLLSEEU-SFTDATJTSA-N 474.650 2.290 30 10 JEEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1359221868 QOTPWNWCDBQGBE-UHFFFAOYSA-N 455.563 2.213 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN(CC(F)(F)F)CC1 1359296474 KRXNZBQJBQLIGI-UHFFFAOYSA-N 482.507 2.339 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1359309903 HCGPXSCFMIKTJE-ICSRJNTNSA-N 452.559 2.147 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN2CCCC(C)(C)C2)C1 1359321691 KJQTZDXNYFFUAK-RTBURBONSA-N 451.637 2.084 30 10 JEEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCCN2CCC[C@@H]2CO)[C@@H](C)C1 1359385428 AFLUMNCHJOMQKR-WMZHIEFXSA-N 465.602 2.111 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CCN(C(=O)OC(C)(C)C)C1CC1 1360671652 HZMJSBMNKGJYQS-OAHLLOKOSA-N 481.623 2.028 30 10 JEEE Cc1cccnc1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@](F)(C#N)C1 1492604783 FNIWLDMNYMYHKW-JOCHJYFZSA-N 469.546 2.389 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccnc(OCC2CC2)c1 1497085080 DJKIFRVMGIAVGJ-LJQANCHMSA-N 453.547 2.157 30 10 JEEE CCN(C(=O)OC(C)(C)C)[C@H](C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1 1501375508 DSVBWXKNZLFLCC-CVEARBPZSA-N 483.639 2.274 30 10 JEEE COC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2(N(C)C)CCOCC2)C1 1503844463 BZXWSEDLTPILOP-HXUWFJFHSA-N 452.559 2.317 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccnc1OC 1504873022 APQVBGYCWSTMFN-HXUWFJFHSA-N 461.526 2.206 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccc(C)n3)n2CCNC(=O)C2CC2)c1 1507549596 IOWOLQIRNGRVKP-UHFFFAOYSA-N 457.538 2.231 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCCN1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1507639399 XUSDJDMPOOUHFU-NHCUHLMSSA-N 463.648 2.268 30 10 JEEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccccc1CN1CCOCC1 1507642463 VFTPQVNKQORCAH-HHHXNRCGSA-N 477.609 2.272 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC[C@@H]1COCCO1 1507648224 LTYLUTMHZOSYSF-LJQANCHMSA-N 460.538 2.114 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@H](C)N2CCc3ccccc3C2)CC1 1507720150 SBGCFJVIIWSPJP-VXKWHMMOSA-N 466.630 2.204 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)CCC1CC1 1507800917 ZMLDWAGENJTYHW-ZCNNSNEGSA-N 467.636 2.219 30 10 JEEE C=CCCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1507953003 ZKWSLKXULGRZQH-XMSQKQJNSA-N 454.623 2.095 30 10 JEEE C=CCCCn1c(CCOc2ccccc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1507956031 YVKUIHDIQWZZNX-UHFFFAOYSA-N 454.575 2.039 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCO[C@]2(CCOC2)C1 1508076064 RQZBVANATUJLIP-NTKDMRAZSA-N 455.559 2.333 30 10 JEEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CC[C@H](CN(CC)CC(F)(F)F)C1 1508086284 KKJGCSRCKQOFHM-OAHLLOKOSA-N 497.522 2.019 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N(C)[C@@H]1CCN(Cc2ccccc2)C1 1508146982 GDPROSUEMMHDCD-NHCUHLMSSA-N 459.616 2.441 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(F)cccc1Cl 1508420590 AHLAIGBVDBGPIB-SUMWQHHRSA-N 470.958 2.048 30 10 JEEE CCOC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)N2CCOCC2)C1 1516056048 AOZALAWOAPVVJI-NQIIRXRSSA-N 467.574 2.252 30 10 JEEE COc1cc(-c2nnc(N3CCC(C#N)CC3)n2CCCS(C)(=O)=O)cc(OC)c1OC 1517961481 BXQOVNHSYFBNHU-UHFFFAOYSA-N 463.560 2.146 30 10 JEEE COCC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)N2CCC[C@@H](C)C2)CC1 1518654393 HIEBSPODGSTLCI-NHCUHLMSSA-N 495.628 2.144 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)N(CCNC(C)=O)Cc2ccc(C)s2)ccc1F 1538109899 DSDBUKPLOKHHIN-UHFFFAOYSA-N 453.561 2.438 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ccc(OC)nc1 1538983965 ZMPSESMUBVBLET-MRXNPFEDSA-N 454.556 2.105 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC1(S(C)(=O)=O)CC1 1539015888 WNYHSOZQVFTOPS-INIZCTEOSA-N 465.620 2.428 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCCO3)n2CC2([S@@](C)=O)CC2)c1 1539044203 ZKHIJHPVGTZXMP-AYLZSAKASA-N 455.584 2.487 30 10 JEEE C#CCCCn1c(-c2cccnc2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1539111862 CEPVAZBYWPEOBB-UHFFFAOYSA-N 457.585 2.029 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1ccc(OCCOC)cc1)[C@@H]1CCS(=O)(=O)C1 1539215382 AUVOJHWYXGXQPG-OAQYLSRUSA-N 495.605 2.349 30 10 JEEE C#CCN(CC)c1nnc(-c2cnn(C)c2)n1C[C@@H]1C[C@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1539363923 YCIYSFMTOJTNSL-YTQUADARSA-N 455.563 2.163 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)cn3C)n2CCOCC)CC1 1539468967 KYAVHPJBUWLOPX-UHFFFAOYSA-N 463.380 2.048 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2ncccc2C)CC1 1539470104 KEFOGTXGNKOEKX-UHFFFAOYSA-N 492.605 2.066 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@H]2CCCO2)CC1 1539470331 MMUZRTLEQSIXCT-LJQANCHMSA-N 483.569 2.116 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)c1ccc([S@@](C)=O)cc1 1539705445 TXPGHOVQVMVETQ-VFAWWKHDSA-N 481.644 2.122 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1540866933 FWNMQPGNPDKKCV-UHFFFAOYSA-N 491.474 2.500 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)ccc2C)nnc1N1CCC(NC(C)=O)CC1 1540907387 VCZIVFXTVXHAPJ-UHFFFAOYSA-N 475.615 2.180 30 10 JEEE CC(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1541402998 FXMHBZSTZHYSGG-DZFGPLHGSA-N 472.615 2.348 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@H](C)c1ccccc1 1541834966 HJZLNXQZKSTWMV-OALUTQOASA-N 494.625 2.285 30 10 JEEE CCOc1cccc(N2CCN(c3nnc(-c4ccc(C#N)cc4)n3CCC(=O)N(C)C)CC2)n1 1547988319 GTJJXPCUAIFSGU-UHFFFAOYSA-N 474.569 2.415 30 10 JEEE COc1ccccc1SCc1nnc(N(C)C[C@H](C)C#N)n1CCN1CCN(C(C)=O)CC1 1555111062 BVGAUGWPYVEHPP-GOSISDBHSA-N 471.631 2.339 30 10 JEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1c(F)cccc1SC)[C@H]1CCS(=O)(=O)C1 1588024886 PJBCARYXRTVLPF-INIZCTEOSA-N 491.614 2.050 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCOC[C@H]1OC 1588400042 UKOIOTNIZHCDIS-GBESFXJTSA-N 463.579 2.098 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2Cc2ncnn2C(C)(C)C)CC1 1588899804 WSXGARAJTAFBMD-UHFFFAOYSA-N 450.547 2.207 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@H](CC(C)C)NC(=O)OCC)CC1 1588913344 HTYLVLACNWNNCI-NRFANRHFSA-N 481.601 2.467 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2cc(C)cc(OC)c2)CC1 1588968860 RWTBMUUFHVYWLV-GMAHTHKFSA-N 481.597 2.333 30 10 JEEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C2CCCCC2)C(=O)C1 1589134497 LSGLKBKINIEYRY-RXVVDRJESA-N 461.632 2.350 30 10 JEEE C=C(C)COCCn1c(N2C[C@H](C)[C@H](N3CCOCC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1593769340 MPFKYBVMXKGBMF-IMSXRSKXSA-N 463.623 2.068 30 10 JEEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H](C(C)C)N1CCOCC1 1594943646 VMUDWVYCYIIJIL-FQEVSTJZSA-N 451.575 2.171 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(Br)cc2)nnc1N1CCOC[C@H]1C 1595823805 SNUXMYHLPPUGGM-OAHLLOKOSA-N 485.404 2.446 30 10 JEEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1595877908 CWFIGWGFEPWSDE-GOSISDBHSA-N 457.560 2.383 30 10 JEEE CCCNC(=O)CCn1c(-c2ccccn2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1614959888 CROJMQDDAGFGTD-UHFFFAOYSA-N 458.570 2.450 30 10 JEEE C#CCn1ccc(CN(CCOC)C(=O)c2c[nH]nc2[C@@H]2CCN(C(=O)OC(C)(C)C)C2)n1 1618759919 VSTAJEVPGKFTQY-QGZVFWFLSA-N 456.547 2.253 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(Cc2ccc(C(N)=O)cc2F)C2CC2)s1 1628762477 PPXKBIPZBXSKFX-UHFFFAOYSA-N 451.545 2.184 30 10 JEEE C#C[C@@H](CC)NC(=O)c1n[nH]c(C2CN(C(=O)OC(C)(C)C)C2)c1I 1640106909 FYTWOGJLTXGYDO-NSHDSACASA-N 458.300 2.490 30 10 JEEE Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2)C1 1661404960 FCULBAOGKVRHBP-QGZVFWFLSA-N 455.508 2.277 30 10 JEEE CC(C)(C)OC(=O)[C@@H]1CC(=O)N(C2CCN(C(=O)NCc3ccc(OCC#N)cc3)CC2)C1 1668278699 HRMQGFDFGHYZEE-GOSISDBHSA-N 456.543 2.453 30 10 JEEE C#CCCCn1c(N2CCN(C3CCN(C(C)C)CC3)CC2)nnc1[C@@]1(OCC)CCOC1 1689940705 AVSVQHKPWWRZCS-RUZDIDTESA-N 458.651 2.338 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@](C)(O)c1cccs1)[C@H]1CCS(=O)(=O)C1 1689988494 QAQVQBDGHPUOHA-JTSKRJEESA-N 471.608 2.244 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCC1CC(OCC)C1)[C@@H]1CCS(=O)(=O)C1 1689990785 RSCGMQLILLXPLR-CQJJOKNBSA-N 450.605 2.352 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@H](C)Oc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1689993013 SVTPHBYCYLAKCI-GHTZIAJQSA-N 483.569 2.497 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccco1)N1CCCCC1 1690046973 JFNSKRNUZYQQFX-LEWJYISDSA-N 469.611 2.463 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2CC2CCN(C(=O)OC)CC2)CC1 1690126262 XSDPEMZHSHAYPQ-UHFFFAOYSA-N 454.550 2.242 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCc2ccccc2OC)CC1 1690137607 DPHQKANACQZQHR-AREMUKBSSA-N 481.597 2.147 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(C)nc4ccccc34)n2CC(=O)NCC(F)F)CC1 1690137694 GUXZHOYXICRCHW-UHFFFAOYSA-N 495.534 2.149 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2CCCN2CCC)CC1 1690137741 HUZYPCOTPUWRJA-NVQXNPDNSA-N 486.661 2.159 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCN(CC)CCC)CC1 1690139882 DEDYPMCDSKRXST-UHFFFAOYSA-N 466.586 2.372 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2Cc2ccn(C)n2)CC1 1690148770 TYPMCLSLRBUDKJ-UHFFFAOYSA-N 451.962 2.270 30 10 JEEE C=C(Br)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1690220809 BBELGRPFUYGDTH-ZBFHGGJFSA-N 485.404 2.497 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC(CN2C[C@H](C)O[C@H](C)C2)CC1 1690670661 GTAPERQRKVJHNX-ZVDOUQERSA-N 460.623 2.148 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCc1ccc(OC(F)(F)F)cc1 1692779118 BOXIURNNQBZMEJ-FZKQIMNGSA-N 490.483 2.472 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCCn2cc(CO)nn2)CC1 1705633074 INWQCXMEAUPFFO-GOSISDBHSA-N 484.992 2.001 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@]2(O)CCN(C)C2)CC1 1705646934 UJWUOMGJPOZGGD-HSZRJFAPSA-N 491.423 2.284 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@H]2CCCN2CC)CC1 1705651044 HNOXDASNQPEAQU-OAQYLSRUSA-N 480.613 2.316 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@](C)(O)c2cc(C)oc2C)CC1 1705651146 LSBLSZXRSCDKOO-SANMLTNESA-N 493.612 2.223 30 10 JEEE C=CCN(c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCS(=O)(=O)CC)C1CC1 1705851298 BBJTZIBNZVSTOI-UHFFFAOYSA-N 466.633 2.136 30 10 JEEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCc2ccc(Br)cc2C1 1705907764 WTRUSPAYSXXWCO-UHFFFAOYSA-N 473.375 2.028 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@]2(CCCOC2)C1 1705931619 VRABWQCSVOKSTD-OAQYLSRUSA-N 461.544 2.461 30 10 JEEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1705945283 HBBDIHUHPIHOTP-GOSISDBHSA-N 459.620 2.081 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CCn1cc(Cl)cn1 1706619481 DYDFFXNMBKRUGZ-UHFFFAOYSA-N 485.955 2.304 30 10 JEEE COc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCNC(=O)OC(C)(C)C)cc1 1711884818 HIIHFOHTUMWRTE-SFHVURJKSA-N 458.519 2.119 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC1(CS(C)(=O)=O)CC1 1722290909 BZYFREWVPJKPMM-QGZVFWFLSA-N 482.610 2.348 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3csc(C)n3)n2CC2(S(C)(=O)=O)CC2)c1 1722307075 IVOPQHOJLKUMDD-UHFFFAOYSA-N 498.634 2.267 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCO[C@H]1C(C)C 1722374707 CHGBCPLDETVAQU-IRLDBZIGSA-N 469.611 2.329 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H](OC)C2CC2)CC1 1722441892 WMRMOTXZDAYNFU-HSALFYBXSA-N 458.607 2.229 30 10 JEEE C#CCSCCn1c(CC(C)(C)C)nnc1N1CCN(c2nccn3cnnc23)[C@@H](C)C1 1722462152 SHAUFRLDOYNYST-KRWDZBQOSA-N 453.620 2.386 30 10 JEEE C=C(C)COCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1722532213 GACQWLPTHAXPJI-HNNXBMFYSA-N 460.560 2.056 30 10 JEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1722536614 YBHCPDDSMYNYNM-UHFFFAOYSA-N 458.607 2.222 30 10 JEEE C=CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1722603204 QXZYVACUHXDEFA-MRXNPFEDSA-N 466.633 2.218 30 10 JEEE C=CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@@H](CNC(C)=O)C1 1722609782 FJCIYWATGLFFGM-INIZCTEOSA-N 451.369 2.354 30 10 JEEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1722620734 RJGVSZUGDDZXMT-UHFFFAOYSA-N 458.607 2.336 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCCN(c2nc(C)ns2)CC1 1722705758 HKPNQJSYAYDCBE-UHFFFAOYSA-N 482.614 2.344 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccc(N2CCOCC2)nc1 1740538998 MEMAEGKDSWGLLS-SFHVURJKSA-N 480.594 2.086 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3OCC[C@H]3COC)n2Cc2cnn(C)c2C)c1 1740564979 FJEPNAPQXVSOIR-CVDCTZTESA-N 477.569 2.149 30 10 JEEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H](N2CCCC2=O)C1 1740565450 AHTICYAZQRDBOP-FQEVSTJZSA-N 484.626 2.200 30 10 JEEE C#CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1740567292 PTTVXEGNNYDUHW-IEBWSBKVSA-N 473.961 2.025 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)o2)n1Cc1csc(COC)n1)[C@H]1CCS(=O)(=O)C1 1740620271 UPXVMHNYVRKPFW-INIZCTEOSA-N 461.569 2.124 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CC(C)(C)N2C[C@H](C)O[C@H](C)C2)CC1 1740704825 YPIXCQSCMDGTOS-BGYRXZFFSA-N 479.629 2.194 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CCCNC(=O)OC(C)(C)C)CC1 1740706727 ARJULRGLNCACFV-UHFFFAOYSA-N 481.601 2.145 30 10 JEEE C#CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1740719004 GBLQKLWUHUOOOQ-FQEVSTJZSA-N 457.575 2.202 30 10 JEEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1740719869 SSUKPJSPTURMQU-OAHLLOKOSA-N 452.506 2.135 30 10 JEEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C2CCOCC2)CC1 1740721437 IXALDKWJQZAEMP-UHFFFAOYSA-N 466.611 2.396 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(CCOc2ccccc2)n1C[C@@H]1CC(=O)N(CCOC)C1 1740734171 SIBYFIWIIFEGNX-CJFMBICVSA-N 451.571 2.387 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(OCC(N)=O)CC1 1740755790 MEQSHCHPOGXEEY-DENIHFKCSA-N 450.543 2.269 30 10 JEEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1cccc(C(=O)N(C)C)c1)C1CC1 1740910961 VDARXYGZYOBTSN-LJQANCHMSA-N 457.600 2.280 30 10 JEEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1740963746 WBNUVVJGBPRMAG-UHFFFAOYSA-N 472.553 2.061 30 10 JEEE CC(C)(C)[S@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1741242063 CJONODWVKBWIBD-YVGXBJCXSA-N 463.629 2.377 30 10 JEEE C#CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1748751472 XQKCGSGESCEIOU-MSOLQXFVSA-N 465.620 2.429 30 10 JEEE C#CCCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1748753305 DLMPZSSWXHQIPB-NRFANRHFSA-N 456.541 2.303 30 10 JEEE C#CCCCn1c(COc2ccccc2OC)nnc1N1CCN(c2nccc(OC)n2)CC1 1748760856 IDUHPTDRATYHTD-UHFFFAOYSA-N 463.542 2.404 30 10 JEEE C#CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1748777676 WDHGQBNBQPWOJC-OAHLLOKOSA-N 466.405 2.367 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2Cl)n1CC1(O)CC1)[C@H]1CCS(=O)(=O)C1 1748808243 ITPBWCWQIHQGKP-AWEZNQCLSA-N 455.367 2.404 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H](C)c1ccccc1 1748891642 BZKLLKIMLOLLGH-IRLDBZIGSA-N 469.611 2.268 30 10 JEEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1749028046 XSARRNXIUKQFBH-UHFFFAOYSA-N 458.613 2.043 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)c2ccsc2)CC1 1749225446 GABHUJVZNHZUEH-SFHVURJKSA-N 458.588 2.282 30 10 JEEE C=CCCOCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](COC)C1 1749457532 MRYPWKSUKMCVIR-OALUTQOASA-N 481.594 2.031 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1749657669 ALCJJQBNAKBDFL-OAQYLSRUSA-N 493.612 2.311 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1749663935 BPHXTWHOQNQGJB-MRXNPFEDSA-N 477.960 2.277 30 10 JEEE CS(=O)(=O)N1CCO[C@H](c2nnc(N(CCC#N)CC3CC3)n2Cc2cccc(Cl)c2)C1 1750209512 IBXKBPGNYMRYAU-IBGZPJMESA-N 479.006 2.443 30 10 JEEE Cc1cc(F)ccc1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1751430532 DYKCHGDTNRCABB-FQEVSTJZSA-N 476.578 2.041 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1760183136 MVUGKCNCPSBKSF-RBUKOAKNSA-N 459.528 2.049 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1CC1CCN(CCN(C)C)CC1)[C@H]1CCS(=O)(=O)C1 1760185453 XIFCNDJPJVOBOY-QHCPKHFHSA-N 498.697 2.154 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1Cc1cnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1760190495 RKCYDISDCFCYFY-GOSISDBHSA-N 471.608 2.317 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@H](CC)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1760192087 QGKXBMJYQWWRJJ-VXKWHMMOSA-N 496.637 2.230 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccnc(OCC(F)(F)F)c2)CC1 1760263465 BYFFQMWLLNYACQ-QGZVFWFLSA-N 450.465 2.269 30 10 JEEE C#CCN1CCN(c2nnc(CSc3ccccc3OC)n2CCC(=O)NC(C)C)CC1 1760263969 WNACQULNXZMYDA-UHFFFAOYSA-N 456.616 2.249 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(C)nc4ccccc34)n2C[C@@H](COC)OC)CC1 1760267188 UUCUOWIYOQJLPW-FQEVSTJZSA-N 476.581 2.429 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H]2CC=CCO2)CC1 1760267342 ZQPYMBPGBGWLQJ-HXUWFJFHSA-N 465.554 2.273 30 10 JEEE C#CCSCCn1c(-c2ccccc2Cl)nnc1N1CCCN(S(C)(=O)=O)CC1 1760278305 QDZAKZSHKSSJFW-UHFFFAOYSA-N 454.021 2.437 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cnc(C)s1 1760315470 FSFSHFGSOUAHLG-LXZKKBNFSA-N 454.622 2.271 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1760323868 HMLSUPSATQCUGO-YLJYHZDGSA-N 455.625 2.046 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCCO2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1760335545 OBNIKHHPKRLDTD-SJBKTWHCSA-N 460.623 2.148 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1760517578 QUJVVWRQSJBHSY-IBGZPJMESA-N 450.547 2.306 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(CC(F)F)CC1 1760552317 KDWPFDWGBKIVTR-UHFFFAOYSA-N 478.569 2.425 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@@H](OCC)C1 1760553138 MFXFMVGGIOMHTJ-GOSISDBHSA-N 462.572 2.322 30 10 JEEE CC(C)NC(=O)Cn1c(CCCc2ccccc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1761261246 ABLZOBPTWUBTSK-FQEVSTJZSA-N 487.612 2.355 30 10 JEEE CCOCc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1C[C@H]1CCCCS1(=O)=O 1766400405 CCHNXJUUTLVPIN-GOSISDBHSA-N 476.578 2.119 30 10 JEEE CS(=O)(=O)NCCCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(C#N)cc1 1860875541 NDJXSAXVJCMVNP-NRFANRHFSA-N 467.551 2.035 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H](C)O)[C@@H]2c2ccc(O)c([N+](=O)[O-])c2)cc1OC 1862578424 FCKXBAXFOMGZNM-NSPYISDASA-N 458.423 2.277 30 10 JEEE C=CCN(CC=C)C(=O)[C@@H](Cc1ccc(OC(C)=O)cc1)NC(=O)CC[C@H]1CCS(=O)(=O)C1 1868813084 BXIDWKYMEBOVOU-RBBKRZOGSA-N 476.595 2.055 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCCOC)cn1CCOc1ccc(OC)cc1 1870524027 NNQSRHVPFGHXLF-UHFFFAOYSA-N 485.581 2.251 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)Nc2cc(OC)ccc2OC)cn1C[C@@H](C)O 1870737964 OWXNCAJPVOECAH-GOSISDBHSA-N 471.554 2.438 30 10 JEEE COc1ccccc1OCc1nnc(SCC(N)=O)n1/N=C/c1cc(OC)c(O)c(OC)c1 1874289596 MFOGDIMLBLVWQA-AUEPDCJTSA-N 473.511 2.048 30 10 JEEE CC(C)(C)OC(=O)N1CCN([C@]2(CN)CN(Cc3ccccc3)[C@@]3(CCOC3)C2)[C@@H](C#N)C1 1881500362 LDYZSYVISYEIJE-GVXSCFBNSA-N 455.603 2.194 30 10 JEEE CC(C)N1C(=O)CS[C@@H](C(=O)NCC2CCN(C(=O)N(C)C)CC2)[C@@H]1c1ccc(C#N)cc1 1890799072 LYNYWKKRBQPQCU-FCHUYYIVSA-N 471.627 2.462 30 10 JEEE Cc1cccc(-n2ncc3c(=O)n4c(nc32)S[C@@H](CC(=O)N2CCC[C@@H]2C#CCN(C)C)C4)c1 1891633941 XLCIYSNMBVIEGQ-ICSRJNTNSA-N 476.606 2.311 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CC[S@](=O)(=NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)C1 2255851224 NLDKIRQAPJYYNY-WAJSEHEASA-N 454.354 2.484 30 10 JEEE Cc1cc(S(=O)(=O)NCCN(C)C(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2255930881 BRUCTTOLGSUOFK-UHFFFAOYSA-N 454.398 2.439 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CN(c2nccc(B3OC(C)(C)C(C)(C)O3)c2F)CC[C@H]1CO 2266058079 COQVRCYUMLMCBE-GOEBONIOSA-N 451.348 2.232 30 10 JEEE CN(C[C@H]1CN(C(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)CCO1)C(=O)OC(C)(C)C 2267191413 CEXYTXBQODLFLO-AWEZNQCLSA-N 467.397 2.150 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1CCCN1S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2267706304 VPKNHNXPALQOEK-AWEZNQCLSA-N 487.453 2.261 30 10 JEEE CC(C)(C)OC(=O)NOCCCNS(=O)(=O)c1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2267709671 FZQHIHQMJQTGEB-UHFFFAOYSA-N 474.360 2.250 30 10 JEEE C=C(CS(=O)(=O)N1C[C@@H](COC)C[C@H]1CNC(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2273806872 DXOHOQDQBOGSMY-IRXDYDNUSA-N 474.429 2.365 30 10 JEEE Cc1c(C(=O)N2C[C@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281990027 HUDWLXXBKJBXJD-GASCZTMLSA-N 462.400 2.498 30 10 JEEE CCn1cc(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 2282000854 TUGUVISCYSJLOQ-UUBFPDNSSA-N 482.412 2.107 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCc2ccc(NC(=O)C(F)(F)F)cc2)n1 2282045801 CEOBNJABSNDCNK-UHFFFAOYSA-N 452.242 2.150 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C12CCC2 2282089425 ALIZEHBJISDROG-HZPDHXFCSA-N 458.368 2.342 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CC[C@@H]1CO 2282174682 HDJXFOHRSOXYLG-MJGOQNOKSA-N 460.380 2.334 30 10 JEEE CC1(C)OB(c2cncnc2C(=O)NCc2ccc(NC(=O)C(F)(F)F)cc2)OC1(C)C 2282178114 LLTYOPMZOLPAEM-UHFFFAOYSA-N 450.226 2.207 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@](CF)(NS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282353938 KMDHMBKYFFPRLB-OAQYLSRUSA-N 485.387 2.008 30 10 JEEE CC[C@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CC[C@@H]1NC(=O)OC(C)(C)C 2282533376 KLIREFLTTIPQJV-RDJZCZTQSA-N 462.400 2.485 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1 2282534399 TWMUBYKMDMHXEV-WBVHZDCISA-N 460.384 2.191 30 10 JEEE CO[C@@H]1CN(C(=O)c2nccc(C)c2B2OC(C)(C)C(C)(C)O2)C[C@@H]1NC(=O)OC(C)(C)C 2282559605 QFNIZRSKGWMFMV-JKSUJKDBSA-N 461.368 2.053 30 10 JEEE Cn1ncc(C(=O)N[C@]23CCCN(C(=O)OC(C)(C)C)C[C@H]2C3)c1B1OC(C)(C)C(C)(C)O1 2282574774 TWQLGABPWIAQBQ-CMJOXMDJSA-N 460.384 2.239 30 10 JEEE Cc1c(C(=O)N[C@@H]2C[C@@H]3[C@H]2CCN3C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282593599 SSMHCLYFPRJUEQ-ARFHVFGLSA-N 460.384 2.155 30 10 JEEE CC(C)(C)OC(=O)NC1CCN(CCNC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)CC1 2282621409 RKSWNYWOLAMYAP-UHFFFAOYSA-N 480.440 2.161 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C1)[C@@H]2NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2282837670 WKULURBBHVXSBS-JLVBRIDZSA-N 482.383 2.269 30 10 JEEE CC(C)(C)OC(=O)N[C@H](Cc1cnc[nH]1)C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2283947147 WVLXBPWGSASJMD-OAHLLOKOSA-N 457.340 2.178 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N1CCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C1 2284065211 DXGGUBDTBLACHV-IBGZPJMESA-N 460.380 2.146 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N1C[C@@H](C)C[C@@H](NC(=O)C(F)(F)F)C1 2285209071 REBADSRVMIGWJG-SWLSCSKDSA-N 455.286 2.218 30 10 JEEE COc1cccc(C=C2Oc3c(CN4CCN(CCO)CC4)c(O)cc(C)c3C2=O)c1OC 2296551044 KWBGIPBEPLFIIQ-UHFFFAOYSA-N 454.523 2.444 30 10 JEEE C=CCNC(=O)NS(=O)(=O)c1ccc(CNC(=O)C=Cc2cc(OC)ccc2OC)cc1 2325490530 BRQWLBZLWUXFIL-UHFFFAOYSA-N 459.524 2.207 30 10 JEEE COC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)(C)C)C2)n1N=Cc1ccc(C(=O)OC)cc1 2327876117 UGERJWLGGDMOQD-INIZCTEOSA-N 473.555 2.326 30 10 JEEE O=C(CN1C(=O)c2ccccc2C1=O)N[C@H]1CCN[C@@H](C(=O)C=Cc2ccc(Cl)cc2)C1 2328071908 QMWOOSYOMJKBDR-FXAWDEMLSA-N 451.910 2.455 30 10 JEEE CC(C)(C)OC(=O)N(CCCO)CCC(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2342702254 HDPNRGZTIXVPIW-UHFFFAOYSA-N 469.413 2.068 30 10 JEEE Cc1cc(C(=O)N[C@H]2CO[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)oc1B1OC(C)(C)C(C)(C)O1 2359266303 PYEQEAXNIUQVAJ-HLLBOEOZSA-N 462.352 2.251 30 10 JEEE CC(=O)Nc1cccc(NC(=O)CSc2nnc(N/N=C/c3cc(Cl)ccc3O)n2N)c1 21319942 GHKCDTUMHNPKET-LSFURLLWSA-N 474.934 2.486 30 10 JEEE COCCn1cc(/C=N/Nc2nc(SCC(=O)Nc3nc4ccccc4s3)n[nH]2)cn1 59886851 TXFAZIFXMRSBRB-UFWORHAWSA-N 457.545 2.434 30 10 JEEE C#CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCOC[C@@H](C(=O)O)C1 757462583 XNASROOQZBQUIP-GAJHUEQPSA-N 462.502 2.477 30 10 JEEE Cc1nnc(CSc2nnc(NC(=O)CSc3n[nH]c(NN=Cc4ccncc4)n3)s2)o1 1084373315 UCJHCBHLNHWEKK-UHFFFAOYSA-N 489.572 2.212 30 10 JEEE COc1ccc(C=NNc2nnc(SCC(=O)Nc3ccc(OC)cc3OC)n2N)cc1 1084613983 GAWUBIZDPPVIHN-UHFFFAOYSA-N 457.516 2.195 30 10 JEEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCCN(Cc3ccc(OC)cc3)C(=O)C2)cc1 1153645465 NXGKEPGDQQKSAB-UHFFFAOYSA-N 457.552 2.034 30 10 JEEE C#CC[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(OC)cc2)c1)C(=O)OC 1161454671 CBIUHCYOASRPGD-KRWDZBQOSA-N 450.900 2.444 30 10 JEEE N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCC(c3nc(-c4ccccc4)no3)CC2)c1 1182635637 CWVBLEHHZSDZER-UHFFFAOYSA-N 451.508 2.293 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Cl)n1CCCO[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1286386908 JLKMZSPSOCRZCG-ROUUACIJSA-N 479.002 2.421 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1CC(=O)NC1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1286395341 ZXMDDTKNDZXWAU-LJQANCHMSA-N 475.640 2.006 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCCOC[C@H]2CCOC2)CC1 1286469827 MJBCNSVVVVQEOZ-JOCHJYFZSA-N 480.613 2.346 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](C)c2cccc(C)c2)CC1 1286492228 FCAAOQZBBHBDQJ-UGKGYDQZSA-N 483.638 2.258 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@]1(O)CCN(C)C1 1286524257 CUVRMDSLWFFDFP-RPBOFIJWSA-N 472.634 2.451 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1286783788 LPJHQFOXZODPDE-RUZDIDTESA-N 495.584 2.140 30 10 JEEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1286785422 FHLHAJCYJITLTH-IUODEOHRSA-N 477.447 2.052 30 10 JEEE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C(C)C)N2CCOCC2)C1 1286844376 FUBQDVCOPXNFPN-UPVQGACJSA-N 479.629 2.478 30 10 JEEE C=C(C)Cn1c(SCC(=O)N[C@H]2CCC[C@@H]2CNS(C)(=O)=O)nnc1-c1ccco1 1296831297 HGNBDHJRULLCEI-CABCVRRESA-N 453.590 2.040 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2CCCNC(=O)C2CCC2)c1 1300333564 AKKAAWYUINBYOW-FQEVSTJZSA-N 464.570 2.145 30 10 JEEE C#CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1300407612 BJFZOZQWYISNEV-RBUKOAKNSA-N 494.662 2.324 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H](C)Oc1ccccc1OC)[C@H]1CCS(=O)(=O)C1 1300487688 LHTRNHYBSCYHLE-MSOLQXFVSA-N 469.567 2.376 30 10 JEEE C#CCN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1300626586 VACOMKXXWNXAPZ-LSDHQDQOSA-N 497.600 2.379 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CCc1ccc(OC)c(Br)c1 1300665460 JSOAJCOUIUJLKM-QGZVFWFLSA-N 476.375 2.329 30 10 JEEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCN(C(=O)C2CC2)CC1 1300863410 NSGHUNISIOFAET-IRXDYDNUSA-N 468.396 2.359 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC(CO)CC1 1301569178 RXRFEYGRLJSQSY-MRXNPFEDSA-N 452.552 2.367 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2OC)nnc1N1CCc2c(ccnc2O)C1 1301593443 NQPIUTPULIJTPI-UHFFFAOYSA-N 485.566 2.130 30 10 JEEE C=CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1301611372 LDRGYHVDDULNNH-FQEVSTJZSA-N 493.655 2.475 30 10 JEEE N#Cc1ccc(-c2nnc(N3CCCN(c4nccs4)CC3)n2CC(=O)NCC(F)F)cc1 1302988902 CYCZYUABHAWQPF-UHFFFAOYSA-N 472.525 2.371 30 10 JEEE CC(C)NC(=O)c1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1C[C@@H]1CCCS(=O)(=O)C1 1303342954 BHTVBKCUDYFVEW-IBGZPJMESA-N 470.599 2.282 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(F)cc2C(F)(F)F)CC1 1359028332 OGSWMWFPUFFLNY-UHFFFAOYSA-N 452.456 2.378 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H](CCC)OC)CC1 1359041805 JHRXFGWOVSGJIK-FQEVSTJZSA-N 487.626 2.130 30 10 JEEE C#CCSCCn1c(N2CCCC[C@@H](S(C)(=O)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1359062081 VPPGSSADXQXFMO-NQIIRXRSSA-N 470.661 2.089 30 10 JEEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1359062803 TZUKDVPXXQHGPA-FPOVZHCZSA-N 487.601 2.470 30 10 JEEE C=CC1CCN(c2nnc(CNC(=O)c3cccs3)n2CC(=O)NCC(F)(F)F)CC1 1359181365 PVKIHOKEMBINJT-UHFFFAOYSA-N 456.494 2.351 30 10 JEEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1359183677 QZGJWBVIUZEPLZ-GOSISDBHSA-N 480.573 2.294 30 10 JEEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(C)C)CC1 1359227749 KWNZVMUDVJMTIK-IBGZPJMESA-N 455.625 2.076 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCC(=O)N2)n1CC(=O)NCc1ccco1 1359260358 BJPIBECEBXVBTL-LJQANCHMSA-N 452.490 2.470 30 10 JEEE C=CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1359283608 FRIQGJFQLCLYJB-NRFANRHFSA-N 468.602 2.202 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CC)Cc1ccc(Cl)s1 1359300743 JCVGQBXNSMRBIY-ZDUSSCGKSA-N 458.009 2.224 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CCNC(=O)C(C)(C)C)C1 1359325002 WGERQJAADDOMMD-INIZCTEOSA-N 460.604 2.213 30 10 JEEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1359336617 WIVZBRQSZVSKLD-UHFFFAOYSA-N 481.630 2.290 30 10 JEEE C#CCC1(O)CCN(CC(=O)Nc2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)CC1 1460691825 KVIXLOIXHBUDEJ-UHFFFAOYSA-N 455.580 2.296 30 10 JEEE C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)NCc2ccc(CN3CCN(C)CC3)cc2)cc1 1466172870 GIWKBIVQORUKKR-SFHVURJKSA-N 455.584 2.441 30 10 JEEE N#Cc1ccc(N2C[C@H](C(=O)N3CCN([C@H](CO)c4ccc(Cl)cc4)CC3)CC2=O)cc1 1466534829 ASZSLOYOIQSDHJ-DENIHFKCSA-N 452.942 2.442 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCC(C#N)CC2)n1C[C@H](N1CCOCC1)C(F)(F)F 1496789863 CNRQUEXPDYRZSG-KRWDZBQOSA-N 471.528 2.200 30 10 JEEE CCCN1CC[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C(C)=O)CC2)C1 1500954378 GBKIKJLMSJGOEE-NRFANRHFSA-N 451.575 2.129 30 10 JEEE CN(C)C(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)c2ccsc2)CC1 1503366626 CXTLMTHQROPWCM-UHFFFAOYSA-N 463.567 2.319 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1CCNS(=O)(=O)c1ccccc1 1507521031 UTHUELFVVYJODG-HNNXBMFYSA-N 491.415 2.483 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CC2(SC)CCN(C)CC2)c1 1507551801 ZNSWUKDLNHFXOR-FQEVSTJZSA-N 495.653 2.113 30 10 JEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](CN2CCCCCC2)C1 1507574259 MHKJXBNBRMCGEM-VQTJNVASSA-N 450.653 2.394 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1CC(C)(C)OC)[C@@H]1CCS(=O)(=O)C1 1507627009 HWTHWIDDIICGQE-QGZVFWFLSA-N 462.572 2.014 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@H]1CCCCC1(F)F)[C@@H]1CCS(=O)(=O)C1 1507631390 OZSFFPZYDBZRIO-IAGOWNOFSA-N 452.531 2.131 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCN1CCCC[C@H]1CC)[C@H]1CCS(=O)(=O)C1 1507633037 RFANYNVMYRDSEU-HKBOAZHASA-N 463.648 2.411 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@](C)(O)CCC(C)C)[C@@H]1CCS(=O)(=O)C1 1507634012 HXSUBGQKFLQDFY-DENIHFKCSA-N 479.672 2.448 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@](C)(OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1507634064 KSGLFWNIYKSAMW-REWPJTCUSA-N 460.575 2.450 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1CCCCN1CCOCC1 1507700311 PFGLPVANUDUQGW-OAQYLSRUSA-N 454.550 2.121 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@H](C)CN2CCOCC2)CC1 1507740174 JLZWINSTEWJOST-QFIPXVFZSA-N 494.640 2.100 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2CCc2scnc2C)CC1 1507740225 KHAMTUFRXJDYHB-UHFFFAOYSA-N 497.650 2.243 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1507800813 YFEPKNFKEHYQDF-LMMKCTJWSA-N 456.595 2.380 30 10 JEEE C=CCC(C)(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CC(=O)N1CCOCC1 1507914749 OQLQWDHTZDGVJH-UHFFFAOYSA-N 479.585 2.089 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC(c2nc(C)no2)CC1 1508072928 LFMZHVCGKRDPRM-UHFFFAOYSA-N 467.530 2.340 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC(c2nc3ccccc3o2)CC1 1508073393 XBXUONZFOMVOKA-UHFFFAOYSA-N 451.531 2.244 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(F)cccc1Cl 1508420584 AHLAIGBVDBGPIB-DYVFJYSZSA-N 470.958 2.048 30 10 JEEE CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCS(=O)(=O)C2)C[C@H]1C 1515922659 CFPHTAXFPKLZSE-UYAOXDASSA-N 472.615 2.084 30 10 JEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2c(F)cc(F)cc2C1 1539071814 DZAGLDBHSWQIIH-HXUWFJFHSA-N 479.553 2.255 30 10 JEEE C#CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1539085950 VDKPKEUQLFSMPL-WOJBJXKFSA-N 472.634 2.173 30 10 JEEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC1(C(=O)N(C)C)CCCC1 1539190558 MNHSJEBQXMOBPB-UHFFFAOYSA-N 477.657 2.361 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CC1(CC)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1539203769 UZMKGSNNZJYFIO-LJQANCHMSA-N 479.647 2.030 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@H](C)Oc1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 1539212311 UPSAHWULUYWXGC-OALUTQOASA-N 483.594 2.386 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H](c1ccc(F)cc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1539216252 PUTYNASEWUWIQX-CTNGQTDRSA-N 470.574 2.342 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 1539317712 GNOJNCIDEDPURT-OALUTQOASA-N 454.575 2.339 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1ccccc1Cl)N(C)C 1539370434 VZUXBRBMSRXBNS-UXHICEINSA-N 495.049 2.027 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cnnn1C 1539384300 CTBIYMWAUYTNMY-HSZRJFAPSA-N 453.522 2.274 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(Cl)cc2)n1 1539423721 DJQVUOSADMWZKO-HXUWFJFHSA-N 467.961 2.414 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[C@H]2C[C@H](F)C2)CC1 1539470620 UCWGPNAOVUWGJS-IRJFHVNHSA-N 487.601 2.453 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(OC2CCCC2)CC1 1539517349 MJQZBPAIJJPQGK-KRWDZBQOSA-N 452.646 2.475 30 10 JEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1 1540036802 VBFSBMUCVPQORQ-VGSWGCGISA-N 464.563 2.010 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1540872164 FOXRDIWZWJFNHU-HNNXBMFYSA-N 454.472 2.383 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1540905740 ZDTJJVSFXKIFLN-SFHVURJKSA-N 490.630 2.310 30 10 JEEE CC(=O)N1CCCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2Cc2ccc(C#N)o2)CC1 1540960932 BSVDJZFKNXMYRS-UHFFFAOYSA-N 481.944 2.433 30 10 JEEE CCN1CCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1547670030 BQZXPBZZCRIORE-GOSISDBHSA-N 468.581 2.238 30 10 JEEE N#Cc1ccc(CNC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@@H]2CCCO2)C3=O)cc1Cl 1585969749 CCQYXPOJUZXYIK-INIZCTEOSA-N 459.911 2.465 30 10 JEEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1587818289 UHXUJXRROCBBGS-MRXNPFEDSA-N 481.420 2.453 30 10 JEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1587823701 WHGZSWHUEHBFBL-UGKGYDQZSA-N 471.627 2.309 30 10 JEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCn2ccnc2C1 1587989065 GHQKHQBCOAWAIM-ZWKOTPCHSA-N 455.563 2.115 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccccc1OCC=C)[C@@H]1CCS(=O)(=O)C1 1588053379 DPHBTOUWCUDJEC-VQTJNVASSA-N 456.568 2.022 30 10 JEEE C#CCN(c1nnc(COCC)n1CCc1ccc(F)c(F)c1F)[C@@H]1CCS(=O)(=O)C1 1588074763 RBFLAKCJSZWVST-OAHLLOKOSA-N 456.490 2.101 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCCN2CCCC2)cc1 1588386673 QWYFDJLFCCIVQZ-OAQYLSRUSA-N 471.627 2.163 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCc2nnc(C)s2)CC1 1588780430 PSWBDYJWCSWNQE-UHFFFAOYSA-N 453.572 2.120 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H]2CCO[C@@H]2C(C)C)CC1 1588885865 ZUPQZJVXVBVAFN-TZIWHRDSSA-N 472.634 2.223 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H]2CCN(CC)C2)CC1 1588908803 WTSZTPQPIBWITG-IBGZPJMESA-N 480.613 2.270 30 10 JEEE C#CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@@H](NC(C)=O)C1 1588976375 WFCCXQMAOHMLTL-LJQANCHMSA-N 475.018 2.333 30 10 JEEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H]1c1nncn1C 1589006434 DZUXXULEVKZRJO-GOSISDBHSA-N 471.612 2.185 30 10 JEEE C#CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCO[C@H](C(F)(F)F)C1 1589052948 AZAUPCXPJGEQTA-HNNXBMFYSA-N 488.561 2.372 30 10 JEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCc2cc(OC)c(OC)cc2CC1 1589109471 BETOUQGNHADRID-UHFFFAOYSA-N 469.611 2.389 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1589731566 QRLUNGAIXVJCBI-SFHVURJKSA-N 472.615 2.267 30 10 JEEE C=CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1594733668 XBHZQYKJBDYDEM-QZTJIDSGSA-N 498.650 2.071 30 10 JEEE C=CCCOCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H](C)O[C@H](C)C1 1594787847 AXDJNNSORMSEBE-HDICACEKSA-N 463.604 2.402 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(N2CCCCC2=O)CC1 1595496682 DCESQQLDDPAXAJ-UHFFFAOYSA-N 467.530 2.137 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N(C)Cc1ccc2c(c1)OCCO2 1595784383 FCYLTKSPJOHJPD-UHFFFAOYSA-N 455.540 2.349 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCS[C@@H](C(C)C)C1 1595822968 KONIRMZZYHIDJV-GOSISDBHSA-N 452.650 2.318 30 10 JEEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(c2ccc(C(F)(F)F)cc2)CC1 1597194250 GYDOVGHGCAZNLK-UHFFFAOYSA-N 452.458 2.093 30 10 JEEE CC(C)SCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1611151224 BIHRDMOSZXIKTI-UHFFFAOYSA-N 480.598 2.457 30 10 JEEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(S(C)(=O)=O)CCC2)C[C@H](C)O1 1619736551 DPVLJSMQLKLAHL-LPHOPBHVSA-N 459.572 2.024 30 10 JEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC[C@@](O)(/C=C/OCC)C(F)(F)F)cc1 1622886459 GOGSJCGMIAVLEO-JICACKBISA-N 451.467 2.458 30 10 JEEE C=C(C)Cn1c(SCC(=O)N2CCC[C@H]2C[C@]2(C)NC(=O)NC2=O)nnc1-c1ccco1 1623848833 WIGVPFKUFVGGSW-QKKBWIMNSA-N 458.544 2.186 30 10 JEEE C=CCN1CC[C@H](N(C)C(=O)CSc2nnc(-c3cccnc3)n2Cc2ccco2)C1=O 1626246796 MFNFDJSULREINN-SFHVURJKSA-N 452.540 2.319 30 10 JEEE C=C(C)C[C@H](NC(=O)CN1CCN(Cc2ccc(Br)cc2F)CC1)C(=O)OC 1642697927 CPUHBKYJEFFXRB-SFHVURJKSA-N 456.356 2.330 30 10 JEEE Cn1cc([C@@H]2CN([C@H]3CCN(c4sccc4C#N)C3=O)C[C@H]2NC(=O)OC(C)(C)C)cn1 1654813965 CLKZCTFECZBSKC-KSZLIROESA-N 456.572 2.451 30 10 JEEE C#CCCCn1c(COc2ccccc2OC)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1689939920 HCMFAEZTHXJKPA-NRFANRHFSA-N 453.543 2.107 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H](C)SC)[C@H]1CCS(=O)(=O)C1 1689983604 DGBBWHRVSLYMJW-WBVHZDCISA-N 464.613 2.341 30 10 JEEE C#CCN(c1nnc(C2CCC2)n1CCc1ccc(OC)cc1OC)[C@@H]1CCS(=O)(=O)C1 1689991075 VGJSHXOROFAKGK-LJQANCHMSA-N 458.584 2.432 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CCc1nccc(C(F)(F)F)n1 1690000165 UERJOXLTEHSZSP-UHFFFAOYSA-N 454.416 2.050 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C 1690029406 ACWXWCWOUQLIBD-IBGZPJMESA-N 456.591 2.480 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1690096246 QEGRMHMRHFWTJV-FGZHOGPDSA-N 482.610 2.107 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1CCS(=O)(=O)c1ccccc1 1690195699 ONTXUWJURCURHT-DHIUTWEWSA-N 458.584 2.396 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc(OC)c2)CC1 1690313510 WCDMGWVPKOGJLX-LJQANCHMSA-N 475.615 2.108 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)CC(=O)NC(C)(C)C 1690668909 NERIGNZCAQEDQB-UHFFFAOYSA-N 451.531 2.253 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCO[C@@H](c3ccco3)C2)nnc1[C@]1(OC(C)C)CCOC1 1690732044 UINVROPRDPQFIG-KNQAVFIVSA-N 480.587 2.090 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1690994960 AJMGFPQDJRVFCW-DLBZAZTESA-N 468.587 2.213 30 10 JEEE CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCOC2=O)C1 1695408445 HLDPXVUZGRNJGW-HXUWFJFHSA-N 465.558 2.402 30 10 JEEE CCOC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCOC[C@H]2C)C1 1695976048 CACBYYCMYZKXBZ-NQIIRXRSSA-N 467.574 2.252 30 10 JEEE CNC(=O)[C@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(COC)CCOCC2)C1 1696926937 GLGRPBBDCVTWSQ-XMMPIXPASA-N 482.585 2.134 30 10 JEEE COc1c(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)oc2ccccc12 1697239629 IEBMAKBJMNWQLN-RNODOKPDSA-N 462.507 2.133 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc(Cl)nc3)n2CCS(=O)(=O)CC)c1 1705505879 VKDCOIFOEWPMRN-UHFFFAOYSA-N 486.985 2.484 30 10 JEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cccc2c1OCO2 1705552203 WJBYLMJVHCWZIE-QGZVFWFLSA-N 455.515 2.433 30 10 JEEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H](C)N1CCN(c2ccccc2)CC1 1705558638 DCVOUOHTISGJJG-FUDKSRODSA-N 452.603 2.282 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1CCCOc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1705564023 JOJZQNSGEIZGHU-IBGZPJMESA-N 481.578 2.445 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCN1CCN(C)C(C)(C)C1 1705589536 SOJHJPYMDDNMNO-UHFFFAOYSA-N 496.059 2.350 30 10 JEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)Nc2ccccc2)CC1 1705651800 IEOJXXKWSREUKD-QGZVFWFLSA-N 490.655 2.110 30 10 JEEE C#CCSCCn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C(=O)NCC)CC1 1705663279 BYQBJBHITAGBIR-UHFFFAOYSA-N 456.616 2.290 30 10 JEEE C#CCSCCn1c(N2CCO[C@@H](COC)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705665620 YZJRMVMNPZOCIP-FGTMMUONSA-N 465.620 2.267 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(OCC)c1 1705716360 IJZBEPMEITZZQK-HXUWFJFHSA-N 463.604 2.460 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@]1(O)CCSC1 1705863230 LGGHOEIXZSUOGI-FOIQADDNSA-N 469.608 2.088 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1705933681 OWUIWTOBKRFZRZ-NRFANRHFSA-N 481.582 2.212 30 10 JEEE CCn1cnnc1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@](C)(C#N)C1 1710195502 BJPBHCIIXRZITL-OAQYLSRUSA-N 454.560 2.138 30 10 JEEE COc1cccc(Cl)c1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1711933496 ACUZLWLEQUOSNW-IBGZPJMESA-N 495.005 2.061 30 10 JEEE N#Cc1cccc(-c2nnc(N3CCC[C@@H](N4CCCS4(=O)=O)C3)n2CC(F)(F)F)c1 1712878180 IFLRNGJLUGUATF-MRXNPFEDSA-N 454.478 2.383 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(CC)(CC)NC(=O)OC(C)(C)C 1722381977 CPKRAONEBADSGY-SFHVURJKSA-N 477.631 2.337 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCc2c(ccnc2N(C)C)C1 1722495671 YHYWOFNTPATXLE-AZUAARDMSA-N 453.591 2.421 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1722495688 YKLRPELUCJTIKE-ONTIZHBOSA-N 474.650 2.336 30 10 JEEE C=C(Cl)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1722546186 VVWDYDWIHGEEDI-UZLBHIALSA-N 495.049 2.105 30 10 JEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CC[C@@H](C(=O)N(C)c2ccccc2)C1 1722700858 XHLJBUPPLSJDJS-GOSISDBHSA-N 479.610 2.425 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC(F)(F)C2(OC)CCOCC2)C1 1722708937 GTPUGXDUWPUCDI-KRWDZBQOSA-N 469.533 2.126 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCS[C@@H](C)C1 1722728613 SGEIETUKFZPTOX-MAUKXSAKSA-N 450.586 2.333 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCCOC(C)C)[C@H]1CCS(=O)(=O)C1 1740618176 DETBDJWOPSTUNP-INIZCTEOSA-N 484.420 2.478 30 10 JEEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1CCOc1cccc(C(F)(F)F)n1 1740631937 FGQQYRBCJXHTIF-OAQYLSRUSA-N 463.460 2.496 30 10 JEEE C#CCSCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC(NS(C)(=O)=O)CC1 1740716403 QOYDGTCHADNGAL-UHFFFAOYSA-N 486.623 2.485 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1CCS(=O)(=O)Cc1ccccc1 1740722840 GBEKELDLRWWUAJ-HSZRJFAPSA-N 455.584 2.121 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 1740750371 PLMMRCDQZWUNQR-CTNGQTDRSA-N 480.613 2.421 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)N1CCC[C@@H](C)C1 1740773685 AZFZIKYYQSWLIA-AQNXPRMDSA-N 468.668 2.134 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C(C)(C)O)cc1)C1CC1 1740909981 FMJWSMPFXHFSKL-FQEVSTJZSA-N 475.615 2.042 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 1740956090 GQRSLRKFONOGRU-UHFFFAOYSA-N 479.972 2.187 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCN(C(=O)OC)CC1 1740963146 ATBDABHXRJRDMA-UHFFFAOYSA-N 470.574 2.480 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CC[C@@](C)(O)c1ccccc1 1741929720 BCZOLNNQOMHOQO-MTNREXPMSA-N 460.604 2.316 30 10 JEEE CCCNC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)N2CCOCC2)C1 1745769145 DEJZCWMQLPNGIC-IFMALSPDSA-N 495.628 2.192 30 10 JEEE CN1CC[C@](O)(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCCN(C(C)(C)C)CC2)C1 1748047168 CAELWSVVWWNFDI-RUZDIDTESA-N 467.618 2.106 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CC1(COC)CCC1)[C@H]1CCS(=O)(=O)C1 1748808689 GAYXROPNQFWZML-IBGZPJMESA-N 458.584 2.397 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Br)n1C[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1748809203 KQHHKIPCXJYKMS-CVEARBPZSA-N 479.400 2.371 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc4ccccc4o3)n2CCS(=O)(=O)CC=C)CC1 1749003400 ILMYZUKZHCJSAM-UHFFFAOYSA-N 481.578 2.258 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](C)CN2CCCCC2)CC1 1749008719 ALMKAWPUCTZEQO-IFMALSPDSA-N 456.635 2.260 30 10 JEEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCCN(c2nccc(OCC)n2)CC1 1749038987 NPLKHFYVILOUAA-SFHVURJKSA-N 457.604 2.054 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@]1(O)CCO[C@@H]1C 1749051596 JUVRIGFLGJYLOX-ZGNKEGEESA-N 457.962 2.394 30 10 JEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cc(C)nc(N3CCCC3)c2)CC1 1749286791 RKIKVTBYMBWCKN-GOSISDBHSA-N 459.620 2.397 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2nccc(OCC)n2)CC1 1749364790 XEWDFZPFQFVWRA-QGZVFWFLSA-N 454.579 2.347 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 1749653227 ZBIZJHWDHLCFKP-DYVFJYSZSA-N 463.380 2.352 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCCN(c2cc(OC)cc(OC)c2)CC1 1749663390 CNPPILCXVLQTAM-UHFFFAOYSA-N 477.569 2.376 30 10 JEEE CC(C)(C)C(=O)NC[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCS(C)(=O)=O)C1 1750109478 BOYHHZSRNIPUCW-GOSISDBHSA-N 472.615 2.240 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2C[C@@H](C)N2CCOCC2)c1 1760126015 OYQSAQJGXPOLQQ-LJQANCHMSA-N 459.554 2.117 30 10 JEEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1C[C@@H]1CCO[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1760191567 JQGLGEKHPHHQFO-VAMGGRTRSA-N 488.610 2.308 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@H]1CN(CC(C)C)CCO1 1760250415 ZFEWNSQCBAXMJT-NZQKXSOJSA-N 469.586 2.233 30 10 JEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CCc2cccs2)CC1 1760440668 OEOCBIQLDVNILQ-HXUWFJFHSA-N 494.687 2.003 30 10 JEEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1760510660 IQJWGPFXDCSRBT-UHFFFAOYSA-N 482.651 2.439 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](c2ccc(F)cc2)C1 1760555707 LAOVXSVLQPKIDP-PKOBYXMFSA-N 450.536 2.100 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@H](C2CC2)C1 1760557230 DYFCSZPBDRDTFO-UWJYYQICSA-N 471.583 2.333 30 10 JEEE C=CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](C#N)C1 1760566319 QVISQKVYTFIKIL-SJORKVTESA-N 464.592 2.234 30 10 JEEE CN(C)C(=O)CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1768438479 FHCVUDTXJWAQAK-FQEVSTJZSA-N 465.558 2.017 30 10 JEEE CO[C@H]1COCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1770666696 AEPQOHYBAIVJLT-IRLDBZIGSA-N 496.612 2.475 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)c1cccc(F)c1 1772564325 GPDDYBNFBCIYHZ-SFHVURJKSA-N 451.568 2.350 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1772659870 JYHOFERSSVGMIQ-SUMWQHHRSA-N 467.954 2.053 30 10 JEEE CCOc1ccc(-n2cc(/C=N\NC(N)=S)c(-c3ccc4c(c3)N(C)C(=O)CO4)n2)cc1 1857806963 QABPLXWARSELQJ-MYKKPKGFSA-N 450.524 2.460 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@H]2c2ccccc2[N+](=O)[O-])cc1OC 1862574160 GVXFDEBEAUFQHJ-FQEVSTJZSA-N 469.450 2.326 30 10 JEEE COc1cc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCCNC=O)cc(OC)c1OC 1862601421 DSDJTPKHEQOESQ-HXUWFJFHSA-N 470.478 2.132 30 10 JEEE CCOC(=O)N1CCN(C(=O)[C@H](NC(=O)C2CCN([C@@H](C#N)c3cccs3)CC2)C(C)C)CC1 1868784120 VNGBRGJAYQVUTE-PZJWPPBQSA-N 489.642 2.466 30 10 JEEE CC[C@@H](NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1)C(=O)N1CCN(c2ncccn2)CC1 1868794393 BVTVJLMWEICLFG-UXHICEINSA-N 481.626 2.058 30 10 JEEE CC(=O)N(CCN)C(=O)[C@H](Cc1ccccc1)NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1 1868794750 GASCMRKIWCMBPR-FCHUYYIVSA-N 481.622 2.086 30 10 JEEE CCN(CC)CCNC(=O)c1ccc(-n2nnc(C#N)c2NC(=O)c2c(OC)cccc2OC)cc1 1870139511 URUXFMRQJWLYGX-UHFFFAOYSA-N 491.552 2.480 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)N[C@H](C)CC)cn1CCN1C(=O)CSC1=O 1870525168 MWGXUAUKKJWSFG-QGZVFWFLSA-N 476.599 2.011 30 10 JEEE CCc1nc([C@@H](C#N)C(=O)CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)sc1C(=O)OC 1872796242 RJBKWWSKLYXCBZ-INIZCTEOSA-N 457.512 2.399 30 10 JEEE COc1ccc(C(=O)N2CCC(OCC#CCN3CCN(C(C)C)CC3)CC2)c([N+](=O)[O-])c1 1891097907 CPPJPWYNGQZXKA-UHFFFAOYSA-N 458.559 2.254 30 10 JEEE CC(C)(C)OC(=O)NCC1(O)CCN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)CC1 2082779139 QKIXHTUHKBOVCY-INIZCTEOSA-N 454.568 2.452 30 10 JEEE CC(C)(C)OC(=O)N1CCN(CC(=O)N2CC[C@@H]3C[C@@]3(B3OC(C)(C)C(C)(C)O3)C2)C(=O)C1 2194129655 VZWMTUQDLKBYGA-WAIKUNEKSA-N 463.384 2.151 30 10 JEEE CC1(C)OB(c2ccccc2S(=O)(=O)NCCNC(=O)OCc2ccccc2)OC1(C)C 2243411962 DCHPQPVJQOEGIZ-UHFFFAOYSA-N 460.361 2.191 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]1NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2247901172 GIDRLESFKQQEOK-KGLIPLIRSA-N 458.411 2.381 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H]1CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2247954211 ZISMCZLCEJHSMQ-AWEZNQCLSA-N 458.411 2.335 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CO)CNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(Cl)c1 2255542697 WFJFEZRKVOTTIA-AWEZNQCLSA-N 454.760 2.255 30 10 JEEE CC1(C)OB(c2nscc2C(=O)N[C@@H]2CCOC[C@@H]2NC(=O)OCc2ccccc2)OC1(C)C 2255636601 WLNOMVKYVXZOMD-MSOLQXFVSA-N 487.387 2.256 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](NS(=O)(=O)c2ccc(F)cc2B2OC(C)(C)C(C)(C)O2)C1 2267466719 GDSHPMKKVPRIRQ-GASCZTMLSA-N 470.372 2.459 30 10 JEEE Cn1cc(C(=O)N2CCC[C@H](CNC(=O)OCc3ccccc3)C2)nc1B1OC(C)(C)C(C)(C)O1 2267505625 LFPASJATTQZBPO-LJQANCHMSA-N 482.390 2.498 30 10 JEEE Cc1cc(C(=O)N[C@@H]2COCCN(C(=O)OC(C)(C)C)C2)oc1B1OC(C)(C)C(C)(C)O1 2267520289 KPQDEMOUERYAPS-HNNXBMFYSA-N 450.341 2.253 30 10 JEEE CN(CCNC(=O)OC(C)(C)C)S(=O)(=O)c1c(F)cc(F)cc1B1OC(C)(C)C(C)(C)O1 2267722810 YWCDSZDXDHJBRU-UHFFFAOYSA-N 476.351 2.409 30 10 JEEE CO[C@@H](C)[C@@H](CC(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1)NC(=O)OC(C)(C)C 2268650688 QVVQUHWTQOASSF-DZGCQCFKSA-N 469.413 2.377 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@H](C(=O)N3CCC[C@@H](B4OC(C)(C)C(C)(C)O4)C3)O[C@@H]2C1 2279909631 TWJUVQQGEKSBLV-XMTFNYHQSA-N 466.384 2.475 30 10 JEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1C[C@H](NC(=O)OC(C)(C)C)[C@@H]2COC[C@H]21 2281803628 ZVALNGWPXNRFDG-YESZJQIVSA-N 462.352 2.251 30 10 JEEE Cc1cc(C(=O)N[C@@H]2[C@H](NC(=O)OC(C)(C)C)[C@H]3CCO[C@H]32)oc1B1OC(C)(C)C(C)(C)O1 2281976129 XIWMVNDUGIZSBR-MWQQHZPXSA-N 462.352 2.298 30 10 JEEE CC(C)(C)OC(=O)N1CCCN(CCNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)CC1 2281998317 NCGOPQYMSPZKAY-UHFFFAOYSA-N 480.440 2.115 30 10 JEEE CC1(C)OB(c2cccnc2C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)OC1(C)C 2282181592 IDKDJOROLGXESO-HXUWFJFHSA-N 451.376 2.402 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H](NS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CC1 2282350298 KUMNPOUJOOXAJL-CALCHBBNSA-N 481.424 2.495 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](O)CN(C(=O)c2ccc(F)cc2B2OC(C)(C)C(C)(C)O2)C1 2282403165 PIDOOWUXEAKSCE-CVEARBPZSA-N 464.343 2.225 30 10 JEEE CCc1nn(C)c(C(=O)N[C@@H]2C[C@@H](C)N(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2282560183 TUYAUDSZMTUKEC-HUUCEWRRSA-N 462.400 2.409 30 10 JEEE CN(C[C@H](O)CNC(=O)OC(C)(C)C)C(=O)c1c(F)cc(B2OC(C)(C)C(C)(C)O2)cc1F 2282565886 QFIQUZTXNJMNFD-CQSZACIVSA-N 470.322 2.222 30 10 JEEE Cn1cc(C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C(F)(F)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2282578567 TVCSFEXMJYANMY-AWEZNQCLSA-N 470.326 2.094 30 10 JEEE CC(C)[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2282586304 WZVSIYNZPAHPDC-QGZVFWFLSA-N 462.400 2.437 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(O)cc2O)C1 2282984629 XXMRIIKXXKXLKB-OKILXGFUSA-N 462.352 2.430 30 10 JEEE COCC1(C(=O)NCc2ccccc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2283949605 ARTRCORZPDDLFB-UHFFFAOYSA-N 460.380 2.486 30 10 JEEE BrC(C=NNc1nc(N2CCOCC2)nc(N2CCOCC2)n1)=Cc1ccccc1 2296453364 VOIWWGCVDFCTAW-UHFFFAOYSA-N 474.363 2.379 30 10 JEEE CC(C)N1C[C@@H](c2nnc(SCC(N)=O)n2N=Cc2cc(Br)ccc2F)CC1=O 2329013058 MGIULHOFYCGPGG-LBPRGKRZSA-N 483.367 2.364 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C 2337207085 WPQCVMVCDGBVCU-CQSZACIVSA-N 450.389 2.389 30 10 JEEE CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)Nc1cc(F)c(B2OC(C)(C)C(C)(C)O2)c(F)c1 2341175705 IOFHZYJSDNTCFX-OAHLLOKOSA-N 456.295 2.478 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)C2(B3OC(C)(C)C(C)(C)O3)CCC2)[C@@H](CC(N)=O)C1 2343356564 XAXBXSJBQTWTSV-HNNXBMFYSA-N 451.373 2.326 30 10 JEEE Cn1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H]3CCC[C@H]32)c(B2OC(C)(C)C(C)(C)O2)n1 2367685260 QHSLVTNLIQOIHR-IAGOWNOFSA-N 460.384 2.333 30 10 JEEE C=CCn1c(=O)c(N2CCC(NC(=O)N[C@@H](C(=O)OC)c3ccccc3)CC2)nc2cccnc21 64579458 AOICUOLVGGFELN-HXUWFJFHSA-N 476.537 2.160 30 10 JEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2ccc(OCC(F)(F)C(F)F)nc2)CC1 409511399 FGDVJAFONDGHHM-UHFFFAOYSA-N 486.447 2.379 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)C[S@](=O)CCCN3C(=O)c4ccccc4C3=O)cc21 586307155 GAIGZVSNSVPCTN-MGBGTMOVSA-N 466.515 2.216 30 10 JEEE C=CCC[C@@H](NC(=O)CNC(=O)CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 757311974 VPCMOQDWLWWQTM-OAQYLSRUSA-N 465.506 2.177 30 10 JEEE COCCn1cc(C=NNc2nnc(SCC(=O)Nc3cc(Cl)cc(Cl)c3)n2N)cn1 1084377198 QMKSPXAVXLIQNU-UHFFFAOYSA-N 484.373 2.318 30 10 JEEE CC(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 1127219693 GJHBJEZDCSPGKI-LAUBAEHRSA-N 459.554 2.250 30 10 JEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 1286313872 GKLHKBPRBVZTDY-KRWDZBQOSA-N 482.651 2.433 30 10 JEEE C#CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1286339300 MMPVRFWEBLQFPU-UHFFFAOYSA-N 452.515 2.342 30 10 JEEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1286359939 NKXRGBGANPTMAB-MOPGFXCFSA-N 475.615 2.390 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CC[C@H]1C[C@H](F)C1)[C@H]1CCS(=O)(=O)C1 1286380250 BKMPLEXGVXZTND-OZIGNCPNSA-N 468.595 2.084 30 10 JEEE C#CCN(c1nnc(-c2ccccc2)n1C[C@@H]1CCN(CC(F)(F)F)C1)[C@@H]1CCS(=O)(=O)C1 1286386875 IVOCCCLDSZENJA-IEBWSBKVSA-N 481.544 2.456 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1CCc1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1286387128 OHOBIFOQPZFUQM-HXUWFJFHSA-N 451.552 2.218 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)NC1CCCCC1 1286457578 APRNGUBFWWKOBL-IBGZPJMESA-N 487.601 2.408 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@@H](C)CNC(=O)OC(C)(C)C)CC1 1286490245 OLJOTGGQCMSSPF-SFHVURJKSA-N 481.601 2.467 30 10 JEEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C)=C(Br)C1 1286600031 HRBCIPKNLOJBCZ-CQSZACIVSA-N 462.414 2.360 30 10 JEEE C=C(Cl)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1286618517 BPSYIOLTOCNDFT-KRWDZBQOSA-N 471.949 2.372 30 10 JEEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 1286705637 BNCSRLYIDTZFHB-IAGOWNOFSA-N 450.584 2.358 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCO[C@@H](Cn2cccn2)C1 1286779548 JHSCEOUCFUOFKD-NHCUHLMSSA-N 479.585 2.439 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1286815471 VVWLRFRRMTXDKG-KRWDZBQOSA-N 478.962 2.469 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CCN1CCOCC1(C)C)[C@H]1CCS(=O)(=O)C1 1300489146 JKTQUROPSZUHFU-FQEVSTJZSA-N 492.045 2.336 30 10 JEEE C#CCN(c1nnc(C2CC2)n1CCc1cc(C(F)(F)F)ccn1)[C@H]1CCS(=O)(=O)C1 1300493931 XGHXTHRNDDOESA-KRWDZBQOSA-N 453.490 2.439 30 10 JEEE C#CCN(c1nnc(CCCc2ccccc2)n1Cc1cccn(CC)c1=O)[C@H]1CCS(=O)(=O)C1 1300500501 ABUSJOSRFJNYBB-QHCPKHFHSA-N 493.633 2.310 30 10 JEEE C#CCN(CC)c1nnc(-c2ccc(Br)cc2Cl)n1CCNS(C)(=O)=O 1300606991 YOJHFJKCHHTTOA-UHFFFAOYSA-N 460.785 2.370 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccccc2OCC=C)CC1 1300685481 PABKTJPZULKUIZ-RUZDIDTESA-N 451.571 2.299 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cc(F)ccc2SC)CC1 1300710541 FNIISLPWTSTVND-UHFFFAOYSA-N 472.590 2.291 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](c2ccc(F)cc2)N(C)C)CC1 1300725057 FMNPSXJUXIYQFV-IRLDBZIGSA-N 468.577 2.190 30 10 JEEE C#CCSCCn1c(Cc2ccccc2F)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1300765743 JSSLTQGBGVOOJP-AUSIDOKSSA-N 484.645 2.363 30 10 JEEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1300769972 MZKWKBHEVNSWJO-UHFFFAOYSA-N 498.682 2.082 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](NC(=O)CCC)C1 1300885645 RJVOWYUZVKDARC-JKBKZWBZSA-N 479.647 2.047 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1300893150 XWCXSOFWWIMDKA-GHTZIAJQSA-N 494.687 2.381 30 10 JEEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(=O)c2ccc(F)cc2)CC1 1300928717 MUDYYUOYEVMEPG-HNNXBMFYSA-N 464.567 2.002 30 10 JEEE C=C(Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H](S(=O)(=O)NCC)C1)c1ccccc1 1301009926 FSYCHKOJEGVCPI-ACRUOGEOSA-N 475.615 2.234 30 10 JEEE C=C(Cl)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(NC(=O)COC)CC1 1301044826 MSVNHOVRGXNQOD-QGZVFWFLSA-N 499.012 2.070 30 10 JEEE C=CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1301232368 YJKBXGNCRAYHHY-UHFFFAOYSA-N 463.586 2.439 30 10 JEEE C=CCNC(=O)Cn1c(N(C)Cc2cnn(C)c2C)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1301518453 GUAWSUJBXZAERE-MAEOIBBWSA-N 472.594 2.029 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCS(=O)(=O)C(C)(C)C)C1 1301542786 FRSCLQQBAZWREX-PGRDOPGGSA-N 470.636 2.313 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C2CCCCC2)N(C)C)C1 1301556633 IPGLGELTQCMXFX-NJYVYQBISA-N 465.664 2.472 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1301586644 HRRREBSTNJZPTA-RBBKRZOGSA-N 491.633 2.156 30 10 JEEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCO[C@H]2C(C)C)CC1=O 1301886824 CCNRYUHNLQNCBU-IRLDBZIGSA-N 452.559 2.173 30 10 JEEE N#Cc1cccc(-c2nnc(N3CCC[C@H](C(F)(F)F)C3)n2C[C@]2(O)CCS(=O)(=O)C2)c1 1302985926 DAEYHEHHSUKBKQ-QFBILLFUSA-N 469.489 2.145 30 10 JEEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2COCCO2)CCN1CC(F)(F)F 1305204806 BPCNPHJOKCMJHC-QFBILLFUSA-N 480.491 2.217 30 10 JEEE CC[C@@H](C#N)Oc1cc(CNC(=O)N2CCc3c(cccc3S(N)(=O)=O)C2)ccc1OC 1311962933 HRBVOKHVGXENEU-KRWDZBQOSA-N 458.540 2.291 30 10 JEEE CCN(CC)C(=O)CN1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C2CC2)CC1 1313644116 DXRIZZIOXQAOPC-UHFFFAOYSA-N 451.575 2.444 30 10 JEEE CCO[C@]1(c2nnc(N3CCO[C@H](c4cccc(C#N)c4)C3)n2CC(C)(C)C(=O)NC)CCOC1 1314143743 AYBBKXLQXARVJV-NBGIEHNGSA-N 482.585 2.152 30 10 JEEE COC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cnccc2OC)CC1 1315129294 AGZRRSNETONDFB-UHFFFAOYSA-N 463.498 2.069 30 10 JEEE COCCN(CCC#N)c1nnc(-c2ccc3c(c2)OCCO3)n1CCN1CCOC(C)(C)C1 1316098330 AVZSRGMFDWQVOK-UHFFFAOYSA-N 470.574 2.194 30 10 JEEE C#CCN(CCOC)c1nnc(CNC(=O)c2cccs2)n1Cc1cccc2c1OCO2 1359026559 CCVHGMUFADKZCF-UHFFFAOYSA-N 453.524 2.133 30 10 JEEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1359050958 IKBWPZXOJPXVIO-UHFFFAOYSA-N 464.595 2.258 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(Cn2nc(C)cc2C)n1Cc1ccccc1S(=O)(=O)N(C)C 1359073429 OYCLMWBEYOVRJW-XMMPIXPASA-N 481.626 2.430 30 10 JEEE C=C1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1359161833 SJLCGVCRXYXMST-QGZVFWFLSA-N 473.418 2.475 30 10 JEEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(NC(=O)N(C)C)cc2)CC1 1359165649 TXRYIRGCJHMZFZ-SFHVURJKSA-N 458.588 2.478 30 10 JEEE C=CCC(C)(C)Cn1c(CCCc2ccccc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1359191366 WTFDJDNILCPOLM-HXUWFJFHSA-N 450.587 2.203 30 10 JEEE C=CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H]1CCCS(=O)(=O)C1 1359238279 FTJOSAQBLDSURY-INIZCTEOSA-N 456.572 2.122 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(CN2CCOCC2)CC1 1359301922 PVJDEMWVJVYYQG-UHFFFAOYSA-N 473.021 2.373 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCNC(=O)CC1 1359328766 NQOUPUIQPCNFEJ-OAHLLOKOSA-N 463.629 2.059 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1359331043 LOFFAZUBWWXWNH-MRXNPFEDSA-N 472.537 2.322 30 10 JEEE C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCN1CCN(C)C(C)(C)C1 1359479089 DTFGLGMXCPNBJB-RTBURBONSA-N 487.674 2.101 30 10 JEEE C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1)N(C)C 1360540516 GNTAZTCBBMPLDT-OAQYLSRUSA-N 478.645 2.291 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(OC)c(S(=O)(=O)NC4CC4)c3)cc2C1=O 1360585161 VEPBDCJFICRQBY-UHFFFAOYSA-N 455.492 2.170 30 10 JEEE CS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)c3cc4ccccc4n3CC#N)CC2)c1 1456508067 BQZRTSRKVMDFDW-UHFFFAOYSA-N 450.520 2.167 30 10 JEEE Cc1nsc(N2CCN(S(=O)(=O)c3cc(Br)cc(C#N)c3)CC2)c1C#N 1463802201 BBBJUBCSXSTDLW-UHFFFAOYSA-N 452.359 2.468 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1465230886 BSBIGULXPVOKAL-WMZOPIPTSA-N 450.561 2.036 30 10 JEEE Cn1cccc1-c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCNC(=O)C(C)(C)C 1503669770 FTNCZIUCVUMBSH-UHFFFAOYSA-N 461.574 2.039 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2C[C@@H]2CCCCS2(=O)=O)c1 1507548747 CSDRXMOCDWXGCX-FQEVSTJZSA-N 478.578 2.364 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1cc(C)ccc1OC(F)F)[C@H]1CCS(=O)(=O)C1 1507622014 AGBLOQHNMCVPBL-KRWDZBQOSA-N 495.552 2.001 30 10 JEEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCCCC(F)(F)C1)[C@H]1CCS(=O)(=O)C1 1507631830 GQABJLIPXIRJNU-IKGGRYGDSA-N 469.558 2.072 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCc1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1507638449 FPMMVUIEXAPNEX-OAQYLSRUSA-N 482.610 2.018 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccn2C)n1C[C@@H]1C[C@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1507646791 SYTAUQSGCUDRKN-IRFCIJBXSA-N 464.570 2.381 30 10 JEEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1cccs1 1507751872 SKDDFONATPBHLJ-SJORKVTESA-N 481.669 2.380 30 10 JEEE C#CCSCCn1c(N2CCC(CNC(=O)C(F)(F)F)CC2)nnc1[C@]1(OCC)CCOC1 1507758142 JVMYSEKXQVXDKT-FQEVSTJZSA-N 489.564 2.192 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)c[nH]2)n1CC1(C(N)=O)CCOCC1 1507761175 KEYLAKRYJMLJNO-LJQANCHMSA-N 461.364 2.310 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)c(F)c1 1507821248 XFUXMVVKLLUMRB-SFHVURJKSA-N 455.531 2.340 30 10 JEEE C=C(C)COCCn1c(Cc2c(F)cccc2F)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1507846051 XFIRDUOJOZMWPE-DNVCBOLYSA-N 450.486 2.100 30 10 JEEE C=CCC(C)(C)Cn1c(Cc2cccnc2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1507922479 BPGSKIUPFYWZII-NRFANRHFSA-N 488.658 2.497 30 10 JEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 1507968892 XCZUGINTRNSTMV-HNAYVOBHSA-N 480.553 2.303 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCO[C@@]2(CCOC2)C1 1508136546 SUGKRFKIFKWEPV-JTSKRJEESA-N 480.562 2.154 30 10 JEEE CS(=O)(=O)CCCn1c(COc2ccc(Br)cc2)nnc1N1CC[C@@](F)(C#N)C1 1519519646 BEFRERNNHAPQFU-GOSISDBHSA-N 486.367 2.496 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1539365617 ONMZEPKJKLQLKP-HYHOCUEZSA-N 497.600 2.379 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(F)c1 1539631245 KKJLETULQCUGLO-TYPHKJRUSA-N 493.605 2.368 30 10 JEEE C=C(Cl)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1539788067 XVLWXWPXLFXIST-UHFFFAOYSA-N 460.922 2.235 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(c2ccnc(C)n2)CC1 1540865141 WSEYUUWCTUKBOQ-UHFFFAOYSA-N 484.511 2.274 30 10 JEEE C=CCOc1ccc(Cn2c(-c3cnn(C)c3)nnc2N2CCC(CNS(C)(=O)=O)CC2)cc1 1540877866 IDAZMFMSMQPNNN-UHFFFAOYSA-N 485.614 2.057 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 1540902785 QGESFEZLUFKJIM-QZTJIDSGSA-N 497.980 2.200 30 10 JEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(CC(=O)N2CCc3ccccc32)CC1 1543075148 KDYVWYKZSHBYTA-HXUWFJFHSA-N 454.571 2.027 30 10 JEEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1Cc1cccc(OCCN(C)C)c1 1546532304 HAMVUOGSOGROOJ-IBGZPJMESA-N 475.601 2.206 30 10 JEEE CCOCc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CCN1CCOC[C@@H]1C 1548162582 AEIGLFVZXCFZBL-NRFANRHFSA-N 467.618 2.119 30 10 JEEE CO[C@@]1(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCC[C@@](C)(C#N)C2)CCOC1 1554713603 HWEYXLBTYLEZBY-FCHUYYIVSA-N 459.572 2.284 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCO[C@@H]1c1ccccc1 1587638473 FMPDUJZLNFLZGC-JKLQHZFJSA-N 487.626 2.237 30 10 JEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1587766046 NRGADIIPKVWKLL-FQEVSTJZSA-N 461.632 2.213 30 10 JEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(=O)c2cccc(F)c2)CC1 1587861286 JKEVNPGTTUWWRS-IBGZPJMESA-N 473.574 2.085 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCN(C(=O)OC(C)(C)C)C1CC1)[C@H]1CCS(=O)(=O)C1 1588050434 SFSZRAZLWVICFO-SFHVURJKSA-N 488.614 2.299 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1cc(Br)cs1)[C@@H]1CCS(=O)(=O)C1 1588054918 PXZJGOLVDMGPLE-UKRRQHHQSA-N 485.429 2.281 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCCOC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1588064610 LKHMWBRFXSAZFC-OAHLLOKOSA-N 477.534 2.187 30 10 JEEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1588089383 KHFJLFGMMSQEEZ-WATLYSKOSA-N 457.619 2.279 30 10 JEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCCCN1CC 1588124404 KSWTUPMUEGQPEG-IBGZPJMESA-N 453.616 2.185 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2Cc2ccc(OC)c(OC)c2)CC1 1588913293 GOYWZTBIQGAQSA-UHFFFAOYSA-N 460.538 2.371 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2CC(C)(C)C(=O)NCC)CC1 1588947764 WCHFYCULZPVILL-UHFFFAOYSA-N 468.577 2.136 30 10 JEEE C=C(C)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1589715092 CRFGFRDXFZRRCK-HNNXBMFYSA-N 461.592 2.400 30 10 JEEE C=C(Cl)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1593833769 DIYTUCIFNAKDTM-ZBFHGGJFSA-N 451.936 2.036 30 10 JEEE C=CCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1594651119 HGRUWUYDCNDMDV-UHFFFAOYSA-N 479.585 2.258 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c([C@H]2CCCOC2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O)C(C)C 1595170893 MBPKZBQEGCAPOH-SFTDATJTSA-N 499.660 2.391 30 10 JEEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1595530213 WXZDTNSKOGVKBL-UHFFFAOYSA-N 478.601 2.369 30 10 JEEE C=CCOc1ccccc1Cn1c(Cc2ccccn2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1595658986 PPJFRFYQQAWQJI-TZIWHRDSSA-N 463.538 2.237 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@@H](C(=O)NC)C1 1595804648 DXBKPANCMIDFIW-QGZVFWFLSA-N 466.007 2.086 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CC1(O)CCCC1 1608562208 AKTJUYOJMWJSER-UHFFFAOYSA-N 455.538 2.059 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CCCN1CCCC1 1609508803 GNMQSAJQOITLIG-NRFANRHFSA-N 451.575 2.352 30 10 JEEE N#C[C@@H]1CN(C(=O)[C@@H]2CS[C@H](Cc3ccccc3F)C(=O)N2)CCN1Cc1ccccc1 1617184298 DZGXGTIOIVNJGF-BAGYTPMASA-N 452.555 2.205 30 10 JEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2C[C@@H](CCN3CCCC3=O)c3ccccc32)cc1 1630662197 QHRHQBWDLJIHGB-LJQANCHMSA-N 451.548 2.355 30 10 JEEE C=CCC1(O)CCN(C(=O)[C@@]2(C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CCO2)CC1 1638656673 RTLPTZAZDQESMS-HSZRJFAPSA-N 454.564 2.264 30 10 JEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@](C)(CO)c1cccc(C(F)(F)F)c1 1641775319 HJHSJWFRYJABNS-BFUOFWGJSA-N 455.458 2.268 30 10 JEEE C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1645487161 RADKOLQTTRLMFF-OAHLLOKOSA-N 454.643 2.423 30 10 JEEE Cc1cc(C(=O)NC2CCN(S(=O)(=O)c3cccc(Br)c3C#N)CC2)no1 1661658194 CTRYGGGPPLBWPQ-UHFFFAOYSA-N 453.318 2.200 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1ccc(C)cc1OC)[C@H]1CCS(=O)(=O)C1 1689990403 NYFJMEUIEULNAU-PMACEKPBSA-N 458.584 2.164 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1Cc1ncccc1N(C)C)[C@@H]1CCS(=O)(=O)C1 1689996217 FIWXLCSRBCCYCM-LJQANCHMSA-N 498.584 2.132 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccn2C)n1Cc1ccc(N2CCN(CC)CC2)nc1 1690041806 JUACAGQLPIFYKS-UHFFFAOYSA-N 456.598 2.332 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCc2cc(C(F)(F)F)ccn2)CC1 1690135001 NZMAAKSFOFPVHN-UHFFFAOYSA-N 491.518 2.039 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCCCNC(=O)OC(C)(C)C)CC1 1690144439 ZTAGCWJVPRGHFJ-UHFFFAOYSA-N 482.589 2.006 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 1690148738 RTNSCHWUXLOEPA-SFHVURJKSA-N 458.607 2.453 30 10 JEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC(NC(=O)c2ccccc2)CC1 1690181373 WMMGUXWTAQEIDG-UHFFFAOYSA-N 466.611 2.166 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCCCCCC1 1690663468 XUBITZFSIMJTRB-UHFFFAOYSA-N 460.604 2.268 30 10 JEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](CNC(=O)c2ccccc2)C1 1690675319 WRLNTTMOGFWMPA-NRFANRHFSA-N 490.612 2.088 30 10 JEEE CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CC(C)(C)c1ccccn1 1696328325 CZWIYSBEDKJQOU-UHFFFAOYSA-N 463.590 2.428 30 10 JEEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC2CCCCC2)CC1 1697022543 IFPBKEYYGXFVRC-UHFFFAOYSA-N 471.631 2.068 30 10 JEEE COc1ccc(OCc2nnc(N3CCC(C#N)CC3)n2CC2CCS(=O)(=O)CC2)cc1 1697481998 DDEMXRLTHUNPMU-UHFFFAOYSA-N 459.572 2.430 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(COC)CCOCC1 1705494552 BVYLUMZPGNVEQY-RBUKOAKNSA-N 477.606 2.488 30 10 JEEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1705523385 QCYRPTLQTDEYEH-UHFFFAOYSA-N 493.593 2.158 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1ccccc1COC)[C@@H]1CCS(=O)(=O)C1 1705563832 GMDQDJURAIGPCH-HXUWFJFHSA-N 451.552 2.162 30 10 JEEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CN(Cc2ccccc2)CCO1 1705585309 PYXOIXWSNFSXPK-XMMPIXPASA-N 457.582 2.114 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1(S(C)(=O)=O)CCC1 1705595976 NHDHMZZNLZYQIE-UHFFFAOYSA-N 492.605 2.105 30 10 JEEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCNC(=O)Cc1cccc(F)c1 1705612262 DAPSAXYPVPFSRH-UHFFFAOYSA-N 490.587 2.410 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1C[C@H]1CN(Cc2ccccc2)CCO1 1705629009 VEHPBVGLPXLGQC-XZOQPEGZSA-N 453.587 2.159 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)N2C[C@@H](C)C[C@H](C)C2)CC1 1705643935 VVHGVQHGWRCJEF-SFTDATJTSA-N 497.688 2.236 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@](C)(O)CCOC)CC1 1705646634 KYSJZCZRQYDIAT-HSZRJFAPSA-N 459.978 2.352 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CC2(C)CCOCC2)CC1 1705649930 ICTWFFKCPCICQX-UHFFFAOYSA-N 456.616 2.416 30 10 JEEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(F)(F)F)CC1 1705730952 PRTYSVZOUCVSTE-UHFFFAOYSA-N 453.469 2.202 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1705791382 UWAPIHWJKLCTTK-VQTJNVASSA-N 471.650 2.355 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1705897913 WSWRFTHIFDQOGM-OTWHNJEPSA-N 468.558 2.272 30 10 JEEE CCC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(c3ccc(C#N)cc3F)CC2)CC1 1708875828 GGRVFSIMFJQKIE-MRXNPFEDSA-N 475.594 2.416 30 10 JEEE C#CCCCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1722319549 NQGBNPANGIQEFZ-HXUWFJFHSA-N 492.671 2.068 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H](C)c1nccs1)[C@@H]1CCS(=O)(=O)C1 1722366845 SZKTZQCAFLMQDY-HMFYCAOWSA-N 493.655 2.206 30 10 JEEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccccc1CN1CC[C@H](O)C1 1722417797 UAFOILMJHPUUBS-VABKMULXSA-N 453.587 2.077 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccccc3F)n2CCNS(=O)(=O)c2ccc(C)s2)CC1 1722435082 FXDGGYQJYPZTEO-UHFFFAOYSA-N 488.614 2.188 30 10 JEEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CCSCC 1722555181 KAHPITOXQQEVCZ-HUUCEWRRSA-N 452.046 2.331 30 10 JEEE C=CCCCn1c(N2CCN(c3nccnc3C#N)C[C@@H]2C)nnc1[C@@]1(OCC)CCOC1 1722622660 MIIDRIGEHXSSPW-FDDCHVKYSA-N 452.563 2.273 30 10 JEEE C=CCCCn1c(N2CCC([C@]3(C)NC(=O)NC3=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1722623333 SFSHDRSWFOIWKK-GOTSBHOMSA-N 460.579 2.099 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1722689278 QZHFOCZVEXXOQY-QKNQBKEWSA-N 486.592 2.406 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H]3CCCCO3)nnc2N(C)CC(=O)N2CCOCC2)cc1 1722705298 BEUZZQMFMISGPO-NRFANRHFSA-N 455.559 2.428 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)Cc1ccon1 1722726838 GFBVPSOWUDABEC-UHFFFAOYSA-N 453.528 2.356 30 10 JEEE CC(C)NS(=O)(=O)CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)C[C@@H](C)C#N 1722866899 DFYNGAPCTGAWCS-KRWDZBQOSA-N 497.666 2.316 30 10 JEEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1740567210 OWHNSQCCTPNAAI-QGZVFWFLSA-N 463.546 2.304 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H](c1c(F)cccc1F)N(C)C)[C@@H]1CCS(=O)(=O)C1 1740621778 PADFGTWJOBFBLX-UZLBHIALSA-N 488.564 2.481 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2CCN2CCSCC2)CC1 1740707584 HZDZJLCAUHZXPB-UHFFFAOYSA-N 482.654 2.180 30 10 JEEE C=C(C)Cn1c(N2CCN(C(=O)[C@H]3CCCN3C)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740785838 FIJVBVGLQZOEBV-HSALFYBXSA-N 487.649 2.368 30 10 JEEE C=C(C)COCCn1c(-c2cc(Br)cn2C)nnc1N1CC(=O)N(C)C[C@H]1C 1740787459 IKOUGXVJSUHJQT-CQSZACIVSA-N 451.369 2.306 30 10 JEEE C=C(C)COCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1740790031 ODEXIMFMQQWSQX-SFHVURJKSA-N 491.614 2.075 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(OC)C1 1740850233 DJWMPPBEKYZWAC-UTKZUKDTSA-N 455.625 2.219 30 10 JEEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@](O)(c2ccc(F)cc2)C1 1740858361 PNRBDDBIPZXRHD-HRAATJIYSA-N 451.568 2.482 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC(=O)N(C)[C@H](C)C1 1740986865 JRCCDMIOCPIBNX-IEBWSBKVSA-N 475.615 2.303 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(CC(=O)N(C)C2CCCCC2)CC1 1740990941 KHIKSCOIFHSDOH-UHFFFAOYSA-N 492.690 2.060 30 10 JEEE C=CCSCCn1c(-c2cnccn2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1741000422 QPOAJXNZGPDJQO-WIYYLYMNSA-N 470.647 2.033 30 10 JEEE CC(C)NC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)Cc1ncc(Cl)n1C 1741702562 AUOODSVSQMAYIR-UHFFFAOYSA-N 456.938 2.277 30 10 JEEE CC[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC=C(c2ccc(C#N)cc2)CC1)OC 1744115831 CPKNXOCHANFWIV-JXFKEZNVSA-N 458.588 2.479 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1748651930 UEWAZDQAKSPJDA-NRYAXDJKSA-N 487.626 2.382 30 10 JEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)CC2CCCCC2)CC1 1748698168 CXIGBXIJBYSJLO-LJQANCHMSA-N 478.663 2.311 30 10 JEEE C#CCCCCn1c(N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)nnc1[C@@]1(OCC)CCOC1 1748731228 XUVPHVBTPVVZDF-NTKDMRAZSA-N 477.606 2.464 30 10 JEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCNC(=O)c1ccc(C)cc1 1748790166 WIWUDUNKDDISNU-FQEVSTJZSA-N 482.585 2.394 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC1(S(C)(=O)=O)CC1 1748922812 MUZCTWKQPRLKOP-UHFFFAOYSA-N 468.583 2.273 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCc2ccc(OC)c(F)c2)CC1 1748979057 UIZRGHFCHOSTDR-RUZDIDTESA-N 471.577 2.464 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2Cc2conc2COC)CC1 1749011219 ZRKOPSOCQVDTLV-UHFFFAOYSA-N 464.526 2.102 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@](C)(O)[C@H](C)CC)CC1 1749015852 POKNSPOITMOUAQ-BCHFMIIMSA-N 478.597 2.492 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC[S@](=O)CC 1749072570 SBPUFMJQZXTMKF-INJOXJOKSA-N 468.671 2.404 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@@H](CN2CCOCC2)C1 1749114689 FMMAQESGBLTVOQ-VWPQPMDRSA-N 474.650 2.336 30 10 JEEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1749415942 WOUOHHOJPKFXIJ-DEOSSOPVSA-N 488.658 2.463 30 10 JEEE COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)C(C)(C)C)C[C@@H](C)O1 1749576555 HDGDPWTXCYKIIC-YLJYHZDGSA-N 470.574 2.131 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@H](C(N)=O)C1 1749727241 QRYLETZQMWWPRC-LBPRGKRZSA-N 458.371 2.164 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCOCCOC 1760116775 KAGXYEUODWRXCZ-ZWKOTPCHSA-N 451.568 2.098 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2Cc2csc([C@H](C)OC)n2)c1 1760128617 NRYZNJJBCUCMJB-KXBFYZLASA-N 493.593 2.498 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@@H]1CCCCN1CC)[C@@H]1CCS(=O)(=O)C1 1760191040 ZREQGDFKIQLPEZ-VQTJNVASSA-N 461.657 2.432 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1Cc1nnc(CC)s1)[C@H]1CCS(=O)(=O)C1 1760191762 MWMZOQVILLCAAS-KRWDZBQOSA-N 486.623 2.254 30 10 JEEE C#CCN(c1nnc(CSc2ccc(C)cc2)n1C[C@]1(O)CCSC1)[C@H]1CCS(=O)(=O)C1 1760192149 FIIGPOHAAPNACP-PGRDOPGGSA-N 492.692 2.374 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1CC[S@@](=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1760193069 SHUHLYDCSCGUMR-HYJWCJBQSA-N 496.630 2.170 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CCc2cnn(-c3ccccc3)c2)CC1 1760272876 CAZZRISPKMLIGH-UHFFFAOYSA-N 461.570 2.209 30 10 JEEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1760276064 RORVCLYNYYMOIM-HKUYNNGSSA-N 459.641 2.388 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1760318132 DOWXSZANPQLFLK-CUWPLCDZSA-N 475.615 2.405 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C(CC)CC)N(C)C)CC1 1760402151 IBYQUNOSZRPYGN-LEWJYISDSA-N 482.695 2.380 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)CN1CCOCC1 1760480658 BARMVLQPQQESCP-RBBKRZOGSA-N 473.643 2.341 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1760557422 LCEWKAKLILRMDV-VQTJNVASSA-N 459.616 2.439 30 10 JEEE Cc1c(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CCNC(=O)C(C)C)cnn1C 1761639158 BCDLFUVKLWEGOR-UHFFFAOYSA-N 450.547 2.027 30 10 JEEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2cc(CO)nn2)CCN1CC(F)(F)F 1763081451 HIRILCFYHAMBNC-MRXNPFEDSA-N 489.506 2.064 30 10 JEEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCO[C@H](C)C2)C1 1765671254 CIMFRZUYQXZVSQ-YVWKXTFCSA-N 458.588 2.150 30 10 JEEE CNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@H]2CCO[C@@H](C)C2)CC1 1767837988 FTZLIIPXIJVVKT-OALUTQOASA-N 467.574 2.395 30 10 JEEE COc1ncccc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1769014013 FJWHHKFSXLIYDH-GOSISDBHSA-N 481.582 2.034 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)[C@@H](C)Oc3cccnc3NC(=O)N[C@@H](C)C(=O)O)cc21 1858806485 CAWZHQNBWPIUOZ-UONOGXRCSA-N 468.466 2.238 30 10 JEEE O=C(C1=C(O)C(=O)N(CCN2CCOCC2)[C@@H]1c1cccc([N+](=O)[O-])c1)c1cccc(O)c1 1862593131 CYCLIDVIUZNBQO-HXUWFJFHSA-N 453.451 2.211 30 10 JEEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1862602855 MANVKWHBVNCLLG-WYRIXSBYSA-N 456.407 2.031 30 10 JEEE CCCCCCCCC(=O)Nc1nc(N2CCC(C(N)=O)CC2)nn1[C@H]1CCS(=O)(=O)C1 1870066302 FPEFKEWFAIRNMF-KRWDZBQOSA-N 468.624 2.029 30 10 JEEE CCCCCCCCn1cc(OCC(=O)N(C)C[C@@H]2CCCO2)c(=O)cc1CN(CCO)CCO 1870547009 BGXKZFHGOUOAKE-QHCPKHFHSA-N 495.661 2.012 30 10 JEEE Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CCC(=O)NCC#CCN(C)Cc1ccccc1 1890101066 VKBJXJGRCOSTHA-JOCHJYFZSA-N 456.612 2.044 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N[C@H]2CCOC[C@@H]2NC(=O)OCc2ccccc2)C1 2247564426 HXFJZMCSUXUIBL-NFZIQRKLSA-N 471.554 2.493 30 10 JEEE CC(C)(C)OC(=O)NC[C@H](CO)NC(=O)c1cc(Cl)ccc1B1OC(C)(C)C(C)(C)O1 2255545511 RJUGTQNTOPHIMH-CQSZACIVSA-N 454.760 2.255 30 10 JEEE CCc1nn(C)c(C(=O)N(CC)CCNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267144590 YGWWPBNIKAPMQK-UHFFFAOYSA-N 450.389 2.269 30 10 JEEE CO[C@H]1C[C@H](CNC(=O)c2occc2B2OC(C)(C)C(C)(C)O2)N(C(=O)OC(C)(C)C)C1 2267183632 HGVZSNGEVDIHSL-CABCVRRESA-N 450.341 2.333 30 10 JEEE Cc1nc(S(=O)(=O)N[C@H]2CC[C@H]2OCc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)n1C 2267467708 PYQSCZRNRLGLAI-ZWKOTPCHSA-N 461.393 2.054 30 10 JEEE CC(C)(C)OC(=O)NCC[C@@H]1CN(C(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)CCO1 2267496804 DTTZWVFGGCMFDE-MRXNPFEDSA-N 450.341 2.335 30 10 JEEE CC(C)N(CCNC(=O)OC(C)(C)C)S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2267710443 VQPRMRYYPRCZTQ-UHFFFAOYSA-N 469.413 2.305 30 10 JEEE Cc1c(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281798346 HCTRROQIKPHOSE-HOCLYGCPSA-N 462.400 2.403 30 10 JEEE Cn1ncc(C(=O)N2CC[C@H]3CN(Cc4ccccc4)C[C@H]3C2)c1B1OC(C)(C)C(C)(C)O1 2281810380 OOMOVJKXSJVHNJ-PMACEKPBSA-N 450.392 2.313 30 10 JEEE C[C@H](NC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1)C1CCN(C(=O)OC(C)(C)C)CC1 2282049080 UJBGXSHXSGZPNM-HNNXBMFYSA-N 462.400 2.485 30 10 JEEE C[C@H]1[C@@H](NC(=O)C(F)(F)F)[C@H](C)CCN1C(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2282180566 VDHJYPRQZHGYSP-IPYPFGDCSA-N 455.286 2.298 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@](C)(CNC(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282188080 QTTICILHHBXBIK-QHCPKHFHSA-N 461.368 2.137 30 10 JEEE CC(C)(C)OC(=O)NCc1nc(=NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)s[nH]1 2282347171 UHRCWHQCJMALSM-UHFFFAOYSA-N 496.420 2.085 30 10 JEEE C[C@@H]1C[C@H](NS(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CCN1Cc1ccccc1 2282495344 LCEDJOMRJCYSAR-IEBWSBKVSA-N 474.436 2.051 30 10 JEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)[C@@H]1NC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2282548366 XHWFUEOUSXNEIK-QLPKVWCKSA-N 462.400 2.341 30 10 JEEE Cn1ncc(C(=O)N2C[C@H]3C[C@@H](CN(C(=O)OC(C)(C)C)C3)C2)c1B1OC(C)(C)C(C)(C)O1 2282569158 NLECZCNEGZNCSZ-HZPDHXFCSA-N 460.384 2.048 30 10 JEEE Cn1cc(C(=O)NC[C@]23CC[C@H]2CN(Cc2ccccc2)C3)c(B2OC(C)(C)C(C)(C)O2)n1 2282585909 RIRWDXXJJPLHDD-DFBJGRDBSA-N 450.392 2.361 30 10 JEEE Cc1c(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]3C[C@H]32)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282599054 NLPSKZAQFZHMHA-XHSDSOJGSA-N 460.384 2.155 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2[C@H](NC(=O)c3cccc(B4OC(C)(C)C(C)(C)O4)c3)CO[C@H]2C1 2282673754 AMXNCWJXKQQZMB-OTWHNJEPSA-N 458.364 2.350 30 10 JEEE CC1(C)OB(c2ccccc2CS(=O)(=O)N[C@@H](COCc2ccccc2)C(=O)O)OC1(C)C 2284401410 IAVUSZUAASMSRA-FQEVSTJZSA-N 475.372 2.075 30 10 JEEE Cc1c(C(=O)N2C[C@@H]3C[C@@]3(CNC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2288261410 SGBSEHPZRGAGIE-NPMXOYFQSA-N 460.384 2.015 30 10 JEEE Cc1scc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)c1B1OC(C)(C)C(C)(C)O1 2320440726 HWKJPMMSGOIIFZ-HUUCEWRRSA-N 452.382 2.066 30 10 JEEE CC(=O)NCc1nnc(SCC(=O)NC2CCCCC2)n1N=Cc1ccc([N+](=O)[O-])cc1 2330770139 QENPYWLLZVBPFB-UHFFFAOYSA-N 459.532 2.246 30 10 JEEE CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)C(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2337405739 XDIZQOCSNVBECB-QHCPKHFHSA-N 457.405 2.151 30 10 JEEE COc1ccc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)O)cc1B1OC(C)(C)C(C)(C)O1 2339736741 DAPVYIMZCQVLFP-DYVFJYSZSA-N 450.341 2.207 30 10 JEEE CO[C@@H]1[C@H](OC)CN(C(=O)OC(C)(C)C)[C@H]1C(=O)N[C@@H]1CCC=C1B1OC(C)(C)C(C)(C)O1 2359395264 YIADYLKKTLVJHN-BRSBDYLESA-N 466.384 2.472 30 10 JEEE COc1ccc(NC(=O)[C@H]2C[C@H](O)CN2C(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2365287274 WYJZLPSDZIJEQN-DOTOQJQBSA-N 462.352 2.303 30 10 JEEE COCCN1C(=O)C(=O)/C(=C(\O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@@H]1c1cccc(OC)c1 110955358 NOSCJQKPCNBLAG-LCPUNJGISA-N 474.535 2.014 30 10 JEEE N#C[C@H](c1ccccc1)N1CCN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)CC1 610509596 BGUQQYKZKKSHLX-JOCHJYFZSA-N 474.608 2.042 30 10 JEEE CCOC(=O)c1sc(NC(=O)CSc2n[nH]c(NN=Cc3cnn(C)c3)n2)c(C#N)c1C 1083977348 DSTRZGHLOBQWQG-UHFFFAOYSA-N 473.544 2.133 30 10 JEEE C#CCN(C(=O)c1cc(O)nc2ccc(S(=O)(=O)N(CC)CC)cc12)C1CCN(C)CC1 1134043623 KHYIXKQXCNNQRO-UHFFFAOYSA-N 458.584 2.141 30 10 JEEE C#CC[C@@H]1CCN(CC(=O)NCCN2C(=O)S/C(=C/c3ccc(OC)c(OC)c3)C2=O)C1 1197700937 BEJYDNWYXOABNZ-RBYWHNRPSA-N 457.552 2.202 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCCCNC(=O)OC(C)(C)C)CC1 1286485745 XAZNKPSXYANPIX-PMACEKPBSA-N 476.622 2.062 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CC2(C(=O)N(C)C)CCCC2)CC1 1286490568 NCOYLTRDWLEAJA-UHFFFAOYSA-N 477.613 2.263 30 10 JEEE C#CCSCCn1c(COc2ccccc2OC)nnc1N1CCN(c2ncc(F)cn2)CC1 1286509986 GHCDQHDFSDVBOS-UHFFFAOYSA-N 483.573 2.488 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCNC(=O)C1 1286554885 IUIDWWYYZBJWSX-GGPKGHCWSA-N 474.606 2.310 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCC(NC(=O)COC)CC1 1286561479 NRRAINQHRIFPDT-PGRDOPGGSA-N 454.575 2.361 30 10 JEEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 1286700285 GSKJWNSWANVXGZ-AABGKKOBSA-N 457.623 2.012 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1286782878 BYDFFAVDMOHFTC-CJAUYULYSA-N 485.585 2.429 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1286784601 NBEBEBVHKBQEJQ-KDURUIRLSA-N 463.586 2.341 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3ccccn3)n2CCc2ccc(S(N)(=O)=O)cc2)C1 1286803243 CESNHBNGSIZFNP-SFHVURJKSA-N 454.556 2.012 30 10 JEEE CCC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1293804259 FDEJUBIVCIOHEC-OFVILXPXSA-N 465.602 2.111 30 10 JEEE CCN(C[C@@H]1CCCO1)c1nnc(COc2ccc(C#N)cc2)n1Cc1ccc(C(N)=O)nc1 1295746648 BNIAMHKQSZBKEH-FQEVSTJZSA-N 461.526 2.276 30 10 JEEE CN(C)S(=O)(=O)CCn1c(-c2ccccn2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1298101586 GZHCWNRGDWDQNR-UHFFFAOYSA-N 451.556 2.272 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1CCN1CCN(Cc2ccccc2)CC1)[C@@H]1CCS(=O)(=O)C1 1300483402 JSSBWLYGBRYRJL-ISKFKSNPSA-N 498.697 2.236 30 10 JEEE C#CCN1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCSCCCO)CC1 1300699738 GXQKCTVTDMKLBG-UHFFFAOYSA-N 492.690 2.263 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](O)(Cc2cccc(Cl)c2)C1 1300952324 QXTHURYRLHLJFH-SIKLNZKXSA-N 496.033 2.024 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1301151777 RDWROGYCBQIQCB-HOTGVXAUSA-N 450.565 2.052 30 10 JEEE C=CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1301209555 YIVFJQRLJLGQRD-SFHVURJKSA-N 454.531 2.401 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@@](C)(CC)C1 1301576656 GUSAVXHCYCFWQW-OAQYLSRUSA-N 456.576 2.148 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCN(c2ccc(F)cn2)CC1 1301587637 WIBDDWCUVPPWNL-UHFFFAOYSA-N 476.603 2.392 30 10 JEEE Cc1ccc([C@H](Cn2c([C@H]3CCC(=O)N3)nnc2N(C)[C@H](C)CC#N)N2CCOCC2)cc1 1304270872 AOPJOUDAGYFFQJ-NRSPTQNISA-N 451.575 2.350 30 10 JEEE CN(CCCn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@@H](C#N)C1)CC(F)(F)F 1314850385 ALGKVEVLEGOZCR-KRWDZBQOSA-N 462.480 2.130 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCS(=O)(=O)CC=C 1358899223 JKJJJEWWLQTEEY-SJORKVTESA-N 451.593 2.409 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2CCC=C(C)C)c1 1358901751 VRYSRMLUISZQOL-KRWDZBQOSA-N 458.588 2.301 30 10 JEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)c2ccc(O)cc2)CC1 1358904772 LREPWMJWUVDHMK-KRWDZBQOSA-N 473.599 2.497 30 10 JEEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1ccc(OCC(C)C)cc1)[C@H]1CCS(=O)(=O)C1 1358966882 YUGBDOAMCXZHPF-NRFANRHFSA-N 499.637 2.110 30 10 JEEE C#CCN(c1nnc(CSc2ccc(C)cc2)n1CCc1ccn(C)n1)[C@H]1CCS(=O)(=O)C1 1358967090 DECJEGBNVSGSSD-FQEVSTJZSA-N 484.651 2.482 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H](OC)C1CC1 1358986887 KUIIYGNXWSUWLE-LJQANCHMSA-N 454.600 2.435 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C/C=C\CC 1359017242 YLFHFOKSWMKAEM-HCZHMGAMSA-N 461.563 2.356 30 10 JEEE C#CCN(CCOC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@]1(OC)CCOC1 1359024413 MKZPLASDGHEOJO-XMMPIXPASA-N 477.606 2.284 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(CS(C)(=O)=O)CC1 1359064888 CCWQUDJJYMFFFU-IFMALSPDSA-N 450.605 2.136 30 10 JEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2c(F)cccc2OC)CC1 1359132414 WXUKGZOVHAFVAA-GOSISDBHSA-N 458.538 2.296 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@](C)(O)C2CCCCC2)CC1 1359179238 PHQJYQCZIBTHJS-NFBKMPQASA-N 481.663 2.345 30 10 JEEE C=CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1359230605 ZIBODOWANPADAU-HNNXBMFYSA-N 453.469 2.201 30 10 JEEE C=CCOc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCS[C@@H](C)C2)cc1 1359308789 ZCINLGGCDACJFW-FXAWDEMLSA-N 493.655 2.166 30 10 JEEE C=CCOc1ccccc1Cn1c(N2CCN(C(C)=O)CC2)nnc1[C@@]1(OCC)CCOC1 1359311194 UBVXFWADUADALC-XMMPIXPASA-N 455.559 2.212 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@H](C)c1cccc(O)c1 1359326783 JQAKYVUWAFLNII-MRXNPFEDSA-N 470.555 2.429 30 10 JEEE CC(C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC1(O)CCN(C(C)C)CC1 1359717632 BGENNGIYWKZRFW-LJQANCHMSA-N 467.622 2.014 30 10 JEEE CC(C)CO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCCS2(=O)=O)C1 1360056173 BBCIUFSVYPIHCO-HXUWFJFHSA-N 458.588 2.104 30 10 JEEE N#Cc1ccc(N2CCC[C@@H](NC(=O)CC[S@](=O)c3ccc4c(c3)OCCO4)C2=O)cc1 1466821381 FTDMZUZGFYXSAX-WHUARKNTSA-N 453.520 2.139 30 10 JEEE C[C@H]1CCCN1CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](CC(N)=O)C1 1493853164 FWVRJDKVIQCJIK-ICSRJNTNSA-N 451.575 2.305 30 10 JEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2cc(OC)c(OC)cc2CC1 1507588006 DKMMGXWLMUJTEO-LJQANCHMSA-N 458.584 2.216 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CCc1ccc(NC(C)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1507634790 MWOAEPUVIYKAAS-HSZRJFAPSA-N 492.605 2.092 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1CCCS(=O)(=O)C1 1507661914 APFAXGAHDQYFFC-SFHVURJKSA-N 456.568 2.250 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(N2CCOCC2)CCSC1 1507705774 GLBYDWBQDOHPJX-XMMPIXPASA-N 466.611 2.111 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H](C)N1CCN(CC)CC1 1507762420 YWWVICKMWKODNG-SDUSCBPUSA-N 458.651 2.337 30 10 JEEE C=C(Br)Cn1c(N2CC[C@](C)(C(=O)NC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1507791848 AUWYPUNGETZUKZ-RBUKOAKNSA-N 456.385 2.190 30 10 JEEE C=C(C)COCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1507840017 IHXHKXHEWOBYQV-SFHVURJKSA-N 462.572 2.322 30 10 JEEE C=C(Cl)Cn1c(N2CCO[C@H](Cn3cc(C)cn3)C2)nnc1[C@]1(OC(C)C)CCOC1 1507873146 JRVWIWCLJHSGRJ-RXVVDRJESA-N 450.971 2.482 30 10 JEEE C=C(Cl)Cn1c([C@H]2CCCO2)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1507875086 ZMSUSAADYCGMGR-FPCVCCKLSA-N 488.010 2.009 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCC[C@@H](N2CCCC2)C1 1508095295 VOIVWWDVULKSML-LJQANCHMSA-N 454.575 2.233 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC([C@@H](O)c2ccc(F)cc2)CC1 1508142840 VMDVRXLCPFKMDV-FPOVZHCZSA-N 478.590 2.472 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H]2CCC[C@@H](O)C2)CC1 1539427663 GMVCTRWVMSJLKF-IFMALSPDSA-N 450.587 2.454 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@H]2N(C)CCCC2(C)C)CC1 1539475574 HJVMOGUYZNKEAV-OAQYLSRUSA-N 451.619 2.370 30 10 JEEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)Nc2c(C)cccc2C)CC1 1539704788 IYPYOUXYTHPPEM-FQEVSTJZSA-N 486.642 2.134 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(C)(C)CC1 1540902012 XVSUIWRUUOIIJS-UHFFFAOYSA-N 470.599 2.419 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCCN(c3ccccc3C#N)CC2)n1C[C@H]1COCCO1 1545909295 AQSRNYGIKOANII-NRFANRHFSA-N 481.601 2.200 30 10 JEEE CNC(=O)[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@H]1C1CCN(C(=O)COC)CC1 1548397380 OZYULWOSEFHZKX-ZWKOTPCHSA-N 452.477 2.260 30 10 JEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(c2ccncc2)C[C@H]1C 1558422956 HYJLDPCJQQVMJW-XLIONFOSSA-N 455.584 2.416 30 10 JEEE C=CCn1c(S)nc2cc(C(=O)N3CC[C@H](C(=O)OC)C[C@H]3[C@H]3CCCO3)ccc2c1=O 1558481494 KNONOIDDSKTZCR-ZYSHUDEJSA-N 457.552 2.444 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCc1nccc(C(F)(F)F)n1 1587598379 AQSOOIRIDXXYIB-CQSZACIVSA-N 468.447 2.430 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CC[C@@](C)(O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1588064358 GVNRJWZUWUDCGP-RCZVLFRGSA-N 479.606 2.188 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@](C)(O)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 1588065438 YQFPKYQDSMFPLH-URXFXBBRSA-N 471.627 2.222 30 10 JEEE C#CCN1CCN(c2nnc(C(C)C)n2C[C@@H]2C[C@@H]3COC[C@@H]3N2C(=O)OC(C)(C)C)CC1 1588741370 BRLNPNMIVFERGG-AABGKKOBSA-N 458.607 2.181 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2CCCNC(=O)c2cccc(O)c2)CC1 1588929532 CFAOWVGTLRXHPV-UHFFFAOYSA-N 478.597 2.427 30 10 JEEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](CNC(=O)c2ccccc2)C1 1589708618 QSWVCPGTVANPBC-ROUUACIJSA-N 460.604 2.111 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1595522332 BWYCRBXBMOEDGK-QGZVFWFLSA-N 455.563 2.478 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC(=O)N(C)C[C@@H]1C 1595576989 FHPNMBDOGZLOEF-ZDUSSCGKSA-N 467.357 2.133 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CC[C@](O)(c2ccccc2F)C1 1595785371 YMGZVZIORFZCNA-JOCHJYFZSA-N 459.547 2.121 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1C[C@H](c2ccsc2)O[C@H](C)C1 1595788919 KQMDKZUVPBYIIR-CRAIPNDOSA-N 460.585 2.364 30 10 JEEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@H](C(C)C)C1 1595884275 JDOSMYKPQIUDBH-IRXDYDNUSA-N 475.706 2.108 30 10 JEEE CC(C)[C@H]1OCCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1603158146 DHPCDIGJFBKYRL-LEWJYISDSA-N 472.615 2.350 30 10 JEEE Cc1nc(CCn2c(C(=O)NC(C)C)nnc2N2CCN(c3ccc(C#N)cn3)CC2)sc1C 1611838218 HXQZQCXACLVXFD-UHFFFAOYSA-N 479.614 2.326 30 10 JEEE Cc1nn(C)c(N2CCN(c3nnc(C(C)C)n3CC(=O)NCCc3ccccc3)CC2)c1C#N 1612469909 IEKGHIYKWCSWGL-UHFFFAOYSA-N 475.601 2.001 30 10 JEEE CC(C)(C)OC(=O)NCc1cn([C@@H]2CCCN(CC(=O)NCc3ccc(C#N)cc3)C2)nn1 1618346382 CWYXLRYPIYKUNU-HXUWFJFHSA-N 453.547 2.128 30 10 JEEE COC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCOC(C)(C)C2)CC1 1618866255 GTMIICLZDOMESI-UHFFFAOYSA-N 452.559 2.317 30 10 JEEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccc(OCCN3CCN(C)CC3)cc2)c1 1628903018 SSQSSZBLNBNUNK-UHFFFAOYSA-N 455.580 2.362 30 10 JEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CC(C)(c3nnc(-c4cccc(F)c4)o3)C2)cc1 1633541402 BFWWSQUODVMDQE-UHFFFAOYSA-N 454.483 2.201 30 10 JEEE C#CCOc1ccccc1CNS(=O)(=O)[C@H]1CN(C(=O)OCc2ccccc2)C[C@H]1OC 1667313468 OJIUVSBXFSTWFQ-YADHBBJMSA-N 458.536 2.154 30 10 JEEE C=CC[C@H](NC(=O)N1CCN([C@@H]2CCCN(c3cc(C)nn3C)C2=O)CC1)c1ccncc1 1684648376 JDGLEUFJYGXOIC-LEWJYISDSA-N 451.575 2.264 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccnc(OCC(F)(F)F)c1 1689851559 SIYPEXJXGAKKCE-DZGCQCFKSA-N 457.478 2.023 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1Cc1ccc(CC)s1)[C@H]1CCS(=O)(=O)C1 1689977779 CMFDTSYGIPRJPB-KRWDZBQOSA-N 477.656 2.495 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1CCc1ccccc1OC)[C@H]1CCS(=O)(=O)C1 1689985928 FLJQPQOQJADAPP-IBGZPJMESA-N 453.568 2.162 30 10 JEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H]1NC(=O)CC1(C)C)[C@@H]1CCS(=O)(=O)C1 1689992943 RJVRIYJNWKOQPJ-MOPGFXCFSA-N 490.029 2.064 30 10 JEEE C#CCN(c1nnc(CC)n1Cc1ccc(OC)c(Br)c1)[C@@H]1CCS(=O)(=O)C1 1689993026 TZHBPOPKQXWCDC-OAHLLOKOSA-N 467.389 2.287 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C 1690092643 PKQPCTPONQFENZ-OALUTQOASA-N 474.606 2.246 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2CC2CCN(C(C)=O)CC2)CC1 1690133290 AJNLRNWEARLASD-UHFFFAOYSA-N 454.550 2.010 30 10 JEEE C=C(C)COCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1690303432 YKSKOYDHGXKOJH-SJLPKXTDSA-N 471.558 2.278 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(C)n1C[C@@H](N1CCOCC1)C(F)(F)F 1698048958 DEBFUJCDXQUQNZ-LJQANCHMSA-N 452.481 2.374 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2sccc2c1 1705494879 HPPGRBGHVDKETM-YJBOKZPZSA-N 459.597 2.332 30 10 JEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cccc2c1OCO2 1705552198 WJBYLMJVHCWZIE-KRWDZBQOSA-N 455.515 2.433 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@](C)(O)CCC)[C@H]1CCS(=O)(=O)C1 1705559738 FGOKPECBKXRDCQ-RDPSFJRHSA-N 487.626 2.325 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1CCCOc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1705567546 XKYHZGGWQHOQOD-PKOBYXMFSA-N 462.547 2.017 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1nccs1)[C@@H]1CCS(=O)(=O)C1 1705572199 UCKNJMZEKNILMZ-JFIYKMOQSA-N 463.629 2.328 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@]1(OC)CCOC1 1705627766 OZBGVGNWWUEVEA-CYFREDJKSA-N 477.606 2.284 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(C)c(OC)c1 1705674153 AVRBJXZAVGUNRA-ZJSXRUAMSA-N 487.626 2.163 30 10 JEEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2ccc(OC)c(F)c2)CC1 1705725516 FKIKAPRRWNALKA-SFHVURJKSA-N 463.579 2.226 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1705753745 IKGWODOCXPIGCN-OAHLLOKOSA-N 473.024 2.200 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCNC(=O)OC(C)(C)C)CC1 1705782215 QWRCJDKJANUFOY-KRWDZBQOSA-N 453.609 2.497 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1705895761 REQXXQKYEBARMQ-WMLDXEAASA-N 451.474 2.089 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1705898297 HNQJTDGWLQTDMV-DYVFJYSZSA-N 469.464 2.421 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1705899161 JNSWKKMIUCSBDK-UHFFFAOYSA-N 468.583 2.057 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(c2ccccc2F)C[C@H]1C 1705936389 PXISMBONZMRDRX-MSOLQXFVSA-N 463.579 2.237 30 10 JEEE CC(C)CN1CCO[C@@H](Cn2c(CNC(=O)c3cccs3)nnc2N(C)C[C@@H](C)C#N)C1 1706517209 COABCDOWZKRKBN-ZWKOTPCHSA-N 459.620 2.222 30 10 JEEE CC(C)OC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCCS2(=O)=O)CCO1 1706687366 BJVMFHORGUVGIT-SFTDATJTSA-N 473.599 2.414 30 10 JEEE CNC(=O)[C@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C(C)C)N2CCOCC2)C1 1711317303 AUWOQOTYUSTLIQ-SQJMNOBHSA-N 465.602 2.136 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cccnc1N1CCOCC1 1722277058 KEVQJPDBVACZMU-CYFREDJKSA-N 454.575 2.057 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cccc(CN2CCOCC2)c1 1722305388 GXEKOGGHUQXQIA-VJBMBRPKSA-N 453.587 2.341 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2C[C@H](C)N2CCN(CC)CC2)c1 1722305839 VPOCMDWSUZRNNY-FQEVSTJZSA-N 474.613 2.355 30 10 JEEE C#CCN(c1nnc(-c2ccccc2F)n1CCC(=O)N[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1722361076 FJQUFXOCHVLAHD-IRXDYDNUSA-N 461.563 2.016 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1C[C@]1(C)COCCO1)[C@@H]1CCS(=O)(=O)C1 1722361220 YBGYSCOFLVMVGI-WIYYLYMNSA-N 464.975 2.031 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CC=CCO1 1722398320 ZQHCGXOZTBNNIE-UXHICEINSA-N 455.559 2.395 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCCS(=O)(=O)C1 1722426347 AARKQXRKUBBBIS-OALUTQOASA-N 495.646 2.261 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2ccc(F)cn2)CC1 1722443364 HSUJONUGBBHIQA-UHFFFAOYSA-N 463.473 2.402 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](OCC)c2ccccc2)CC1 1722449078 FXGVVGPPYOCZND-QFIPXVFZSA-N 478.597 2.144 30 10 JEEE C=C(C)COCCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1722534290 MBTGAHSXYRWKGR-SFHVURJKSA-N 453.547 2.386 30 10 JEEE C=CCCOCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C(=O)NC)CC1 1722629584 MEIZMGNTAWLLMA-IBGZPJMESA-N 492.621 2.142 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 1722691986 DCNVUEZHTLDRDY-FXAWDEMLSA-N 452.559 2.453 30 10 JEEE C=CCOc1ccc(Cn2c(-c3ccccn3)nnc2N2CC[C@@H](S(=O)(=O)NCC)C2)cc1 1722706510 UEJGPWBCCDJPKS-HXUWFJFHSA-N 468.583 2.471 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](CC)c2ccccc2)nnc1N1CCO[C@@]2(CCOC2)C1 1722724295 SNLGKARELJMNAU-REWPJTCUSA-N 460.600 2.417 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC(CC(N)=O)CC1 1722727319 KHWAUYOFFANAIQ-UHFFFAOYSA-N 484.582 2.293 30 10 JEEE CCNC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCSC2)CC1 1728669315 BMAWUVJXLWATPN-HXUWFJFHSA-N 483.642 2.130 30 10 JEEE CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCC(=O)N1CCCCC1 1729185953 COFKCYWPTISUOK-GOSISDBHSA-N 472.615 2.479 30 10 JEEE C#CCCCn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1740588502 WACMLQAEOZGWPP-UHFFFAOYSA-N 454.962 2.283 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1CCN1CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1740620935 IHGHULQGDVYHJA-WOJBJXKFSA-N 471.627 2.312 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCOCC(F)(F)C(F)F)[C@@H]1CCS(=O)(=O)C1 1740627991 UVLZASZWFFDKLK-CABCVRRESA-N 482.500 2.063 30 10 JEEE C=C(Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](COCCOC)C1)c1ccccc1 1740801829 DGCWQKJYGQTZKF-CTNGQTDRSA-N 460.600 2.383 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1740848958 VPVIIBJXVMMXQA-NHCUHLMSSA-N 473.666 2.063 30 10 JEEE C=CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCS(=O)(=O)C1 1740939242 UIFRUHHUDVIVDY-ZDUSSCGKSA-N 458.382 2.109 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CC[C@H](C(=O)N(C)c2ccccc2)C1 1740990990 LQZUSPGFECBRNW-VQTJNVASSA-N 487.626 2.262 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CCc2c(ccnc2O)C1 1740993756 HYTPQOLPGCIEJD-UHFFFAOYSA-N 469.567 2.430 30 10 JEEE C[C@@H]1CC[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(CC(=O)N(C)C)CC2)C1 1742998479 GIGHBMNLSYZRHI-TZIWHRDSSA-N 465.602 2.375 30 10 JEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCC2(C1)OCCO2 1748789930 QMLOECLBVOOSFY-QZTJIDSGSA-N 461.563 2.199 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1ccnc(C(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 1748818342 YXQSHFXKMRJVFJ-SJORKVTESA-N 483.516 2.261 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCNC(=O)C1CC1 1748890681 TUVONPBRDOAQNR-FQEVSTJZSA-N 468.602 2.382 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccc(Cl)c3)n2C[C@]2(O)CCN(C)C2)n1 1748970837 UZARQQRCIYFNPK-DEOSSOPVSA-N 484.004 2.148 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@](C)(O)c2cc(C)oc2C)CC1 1749003694 RVKYYLKYRFVBCH-IZZNHLLZSA-N 499.612 2.014 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@](C)(O)c2ccccc2)CC1 1749009248 HBXJUMJAOXSIPN-CJFMBICVSA-N 451.571 2.046 30 10 JEEE C=CCC(C)(C)Cn1c(Cc2ccccc2C)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1749370268 GEUSCTRQRUYWHE-UHFFFAOYSA-N 492.628 2.246 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc3ccccc3o2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1749659010 REKDNEOINJQIKA-KRWDZBQOSA-N 486.598 2.101 30 10 JEEE N#Cc1ccnc(N2CCN(c3nnc([C@H]4CCS(=O)(=O)C4)n3CCCC(F)(F)F)CC2)c1 1750384625 HQWCCAOVHUQCNA-INIZCTEOSA-N 483.520 2.116 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1CCCN1CCC[C@H]1C(=O)N(C)C 1760106774 GQAGEQTZLMKKRL-MJGOQNOKSA-N 452.559 2.074 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H](C)Oc2ccccc2F)CC1 1760263647 JSVVTWSZJMQCFM-IPJJNNNSSA-N 457.550 2.364 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCCc2cnn(C)n2)CC1 1760265705 HREQVULTVFXKJG-GOSISDBHSA-N 494.575 2.284 30 10 JEEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)Nc2c(C)cccc2C)CC1 1760279282 XTSFZERIPLVFOA-UHFFFAOYSA-N 492.653 2.423 30 10 JEEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 1760287334 ORNKBLQZRMGJSZ-FPOVZHCZSA-N 483.638 2.392 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N(C)[C@H](C)CS(C)(=O)=O)nnc1[C@@]1(OC(C)C)CCOC1 1760327417 GXTWDCPSZHSHLU-NXWNEQKCSA-N 470.636 2.169 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1760519449 DNCTXBIREUJEPH-MZNJEOGPSA-N 471.558 2.039 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2nccc(C(F)(F)F)n2)C1 1760534172 SAZPJFBOVXICKS-HNNXBMFYSA-N 465.480 2.347 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCO[C@@H](C#N)C1 1760552834 BYCMSTWLQIVIRD-HNNXBMFYSA-N 496.387 2.046 30 10 JEEE C=CCN(CC=C)C(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccc(Cl)c(Cl)c1 1865729193 MWQSJRSPVWKMFV-OAHLLOKOSA-N 477.348 2.286 30 10 JEEE C=CCn1cc(OCC(=O)Nc2cccc(C(C)=O)c2)c(=O)cc1CSc1nnnn1C 1870178209 ZHNKFIJQBKIMJQ-UHFFFAOYSA-N 454.512 2.070 30 10 JEEE C=CCn1cc(OCC(=O)Nc2ccccc2OCC)c(=O)cc1CN1CCC(C(N)=O)CC1 1870337347 CJAASYUYLYJUAF-UHFFFAOYSA-N 468.554 2.148 30 10 JEEE C=CCn1cc(OCC(=O)Nc2ccccc2OC)c(=O)cc1CN1CCN(C(=O)OCC)CC1 1870746810 CFHOGKRRFPYFPO-UHFFFAOYSA-N 484.553 2.335 30 10 JEEE CC(C)(C)N1C[C@H](c2nnc(SCC(=O)Nc3sc4c(c3C#N)CCC4)n2N)CC1=O 1874552428 SDHWJJJRBUGSAO-LLVKDONJSA-N 459.601 2.259 30 10 JEEE COc1cccc2c1OC[C@H](C(=O)N1CCC(OCC#CCN3CCN(C(C)C)CC3)CC1)C2 1889499648 ZLDVTYWICCKCRP-HSZRJFAPSA-N 469.626 2.283 30 10 JEEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)N3CCN(c4ccc5nnc(C)n5n4)CC3)n[nH]2)c1C 1890265629 PDKJONSRVFYBGT-UHFFFAOYSA-N 460.546 2.175 30 10 JEEE CC=Cc1ccc(OC[C@H](O)CN2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c(OC)c1 2040444006 CMVOUJNHPGNWML-OAQYLSRUSA-N 471.579 2.346 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1[C@H]2C[C@@H](CN(c3ccc(B4OC(C)(C)C(C)(C)O4)cn3)C2)[C@@H]1CO 2241093278 PKOVULQSIWDCSG-DUPRYPCISA-N 459.396 2.339 30 10 JEEE CC1(C)OB(c2ccc(C(=O)NCC3CN(C(=O)OCc4ccccc4)C3)nc2)OC1(C)C 2247928380 BMUSSSVDFOKRIJ-UHFFFAOYSA-N 451.332 2.379 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H]1NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2255802951 HRRKSMNGFGSFOZ-HUUCEWRRSA-N 472.438 2.380 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@](O)(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2255832227 JGSLLIDAHUGQQF-OAQYLSRUSA-N 452.382 2.149 30 10 JEEE C[C@H](C[S@](C)(=O)=NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1)NC(=O)OC(C)(C)C 2255863405 NPVMCSZFZFXEDG-QJCAQRTLSA-N 455.386 2.465 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CC[S@@](=O)(=NC(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)C1 2266998530 RLWFYRJSERGVSB-ZZQWGBOMSA-N 465.381 2.286 30 10 JEEE Cn1ncc(C(=O)N2CC3(CC(NC(=O)OCc4ccccc4)C3)C2)c1B1OC(C)(C)C(C)(C)O1 2267004867 BMORWCNRMUDDSG-UHFFFAOYSA-N 480.374 2.250 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)[C@H](C(=O)O)C1 2267214027 KTPQXNZXOKENBG-AWEZNQCLSA-N 466.365 2.193 30 10 JEEE Cn1nc(C(=O)NC[C@@H]2CCN(C(=O)OC(C)(C)C)C2(C)C)cc1B1OC(C)(C)C(C)(C)O1 2281960899 GIMHKWAAMNBIPX-HNNXBMFYSA-N 462.400 2.485 30 10 JEEE Cn1cc(C(=O)NC2CC3(CCN(C(=O)OC(C)(C)C)C3)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2281963247 JMNUZAHQPBLALN-UHFFFAOYSA-N 460.384 2.239 30 10 JEEE Cc1ccnc(C(=O)N(CCO)CCCNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2281995067 XWPPEGMDWIYIBQ-UHFFFAOYSA-N 463.384 2.039 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1C[C@@H](O)C[C@@H](NC(=O)OC(C)(C)C)C1 2282120491 HWEGFKAKXBFXKJ-MSOLQXFVSA-N 460.380 2.394 30 10 JEEE CC(C)[C@H](C)[C@H](CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)NC(=O)OC(C)(C)C 2282178809 IVVOERYWXHIAQK-GJZGRUSLSA-N 465.404 2.030 30 10 JEEE C[C@H]1C[C@@H](NC(=O)C(F)(F)F)CN(S(=O)(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282350328 LJQICPPCEIVDAT-DZGCQCFKSA-N 476.326 2.063 30 10 JEEE CN(C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C 2282555062 NEEFKIYRXGNGGU-WBVHZDCISA-N 462.400 2.485 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C1 2282589682 QMJNGPDJUMIISZ-HUUCEWRRSA-N 462.400 2.498 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2OCCN(C(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)cc3)[C@@H]2C1 2282666592 IKVCHWAEOVWWFH-MOPGFXCFSA-N 458.364 2.446 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1[C@H]2CC[C@H]1N(S(=O)(=O)c1cncc(B3OC(C)(C)C(C)(C)O3)c1)C2 2282831725 DCMHHYPBGJZFNF-QGTPRVQTSA-N 479.408 2.057 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCOC[C@H]1CC(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2283975956 WROXKIPCLWNXBS-GDBMZVCRSA-N 481.424 2.378 30 10 JEEE COc1cccc([C@H]2C(=C(O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN(C)C)c1OC 2296139193 ZIHVLBXTEVEXGF-NRFANRHFSA-N 468.506 2.458 30 10 JEEE Cn1cnc(C(=O)N2C[C@@H](C(N)=O)[C@@H](C3CCN(c4ccc(C#N)c(C(F)(F)F)c4)CC3)C2)c1 2297650652 QIVRWYBAVSJTNG-QZTJIDSGSA-N 474.487 2.401 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(NC(=O)[C@@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C)c1 2360584657 RQZZYNUAGVCJGQ-QGZVFWFLSA-N 482.408 2.171 30 10 JEEE COc1nc(O[C@]2(C(=O)O)CCN(C(=O)OC(C)(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2365373014 FUQLVKZMQHVHSN-JOCHJYFZSA-N 464.324 2.232 30 10 JEEE CC(C)(C)OC(=O)N(CCO)CCC(=O)N1Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C1 2368519640 BDMCKOJCYJVSNR-UHFFFAOYSA-N 460.380 2.448 30 10 JEEE C=CCc1cccc(/C=N/Nc2nc(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)n[nH]2)c1O 20832674 NSUNUWAFLWCVFE-SSDVNMTOSA-N 487.567 2.063 30 10 JEEE COC(=O)c1ccc(/C=N/Nc2nc(SCC(=O)Nc3ccc4c(c3)OCO4)n[nH]2)cc1 20905729 HISKVDZNFAUVIG-ZVBGSRNCSA-N 454.468 2.497 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)O[C@H](C)C(=O)NCC(=O)Nc3c(C)cccc3C)cc2C1=O 24639948 KSORMVVUHBLREP-MRXNPFEDSA-N 463.490 2.386 30 10 JEEE COc1ccc(OC)c(/C(C)=N\Nc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])c1 35376765 DHTSOVXRKFBSSF-STZFKDTASA-N 464.500 2.469 30 10 JEEE C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](CNc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 204868511 PDZAAQJBAOGCEV-IAGOWNOFSA-N 489.426 2.340 30 10 JEEE CCOC(=O)[C@@H]1CCCN(c2nc(O)c3c(n2)NC(=O)[C@@H](C#N)[C@@H]3c2ccc(N(C)C)cc2)C1 256032264 BCSPQDYXMHFDHI-NJAFHUGGSA-N 464.526 2.251 30 10 JEEE CC1(C)OB(c2ccc(CNS(=O)(=O)CCCN3C(=O)c4ccccc4C3=O)s2)OC1(C)C 704309411 FQQFWQNMFZHJIP-UHFFFAOYSA-N 490.412 2.153 30 10 JEEE CNC(=O)C[C@@H]1S/C(=N/CCc2ccccn2)N(CCc2cc(OC)ccc2OC)C1=O 726109715 BBXXMXFEXSMGNC-FXFSXJFASA-N 456.568 2.320 30 10 JEEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CC(C)(C)CN(C)C 729672268 GINPYGKURADFLA-KRWDZBQOSA-N 465.623 2.264 30 10 JEEE CC#CC[C@@H](NC(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)OCC)C(=O)O 757200272 KUQPYWRMODTDGN-YADHBBJMSA-N 478.501 2.440 30 10 JEEE COc1cccc(C=NNc2nc(SCC(=O)NCc3cccc(OC)c3OC)n[nH]2)c1O 1083984025 IGICLWMYWHRIQC-UHFFFAOYSA-N 472.527 2.391 30 10 JEEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CN(Cc2ccccc2)CCCO1 1286381091 LIAYPESQBKNSHR-ZRBLBEILSA-N 453.587 2.363 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@H](Cc1ccccc1)OC)[C@H]1CCS(=O)(=O)C1 1286396164 VQDUDZOELXGCSQ-GOTSBHOMSA-N 479.606 2.148 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(-c2ccsc2)nc1 1286410092 RZHJEVBMUZEPFS-IBGZPJMESA-N 451.577 2.425 30 10 JEEE C#CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1286509054 MGCZISMLYCKFLY-LPHOPBHVSA-N 457.556 2.434 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(OC)cc1 1286581281 HJYKHYWVUNIYRR-HXUWFJFHSA-N 463.604 2.265 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C(C)(C)O)cc1 1286581531 LGSRDCGXHVOBKH-HXUWFJFHSA-N 477.631 2.289 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1csc(CC)n1 1286582123 RHWTWFXOKHGWPD-MRXNPFEDSA-N 454.622 2.081 30 10 JEEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCCN(Cc2ccc(OC)cc2)C(=O)C1 1286595880 LJCRIQQNXFWNQK-UHFFFAOYSA-N 452.559 2.224 30 10 JEEE C=CCN(CC=C)c1nnc(-c2ccc(OC)cc2OC)n1CC1(O)CCS(=O)(=O)CC1 1286756205 RVCUKUCMIPCTTJ-UHFFFAOYSA-N 462.572 2.080 30 10 JEEE C=CCOc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CCCC[C@H](S(C)(=O)=O)C2)cc1 1286796823 ONSUTUHVQZZEDE-NRFANRHFSA-N 487.626 2.417 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCN(Cc2cc(C)on2)CC1 1286822038 GFLLHCVWBMNFQT-UHFFFAOYSA-N 462.620 2.230 30 10 JEEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 1286822537 FMTUIBTZJYEODY-OAHLLOKOSA-N 476.525 2.472 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCS[C@H](CC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1286824918 KBSCDCLSXKYIEF-YLJYHZDGSA-N 458.650 2.251 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCCN(CC)S(C)(=O)=O 1300267695 ISSAXWIDXPUGAI-SFHVURJKSA-N 460.604 2.277 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@H](C)N(C)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1300488165 PDGRDHUEJSIQKM-RBBKRZOGSA-N 480.638 2.431 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@H](Cc1ccccc1)OC)[C@H]1CCS(=O)(=O)C1 1300502777 XDZMVWAUMUDBKN-GOTSBHOMSA-N 496.637 2.024 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1csc(COC)n1 1300561436 RFHZVBFHHZFZNW-UHFFFAOYSA-N 498.634 2.310 30 10 JEEE C#CCN(CC)c1nnc(COc2ccc(C)cc2)n1CCS(=O)(=O)N1CCSCC1 1300638251 PWEIJBLGXAPXGR-UHFFFAOYSA-N 463.629 2.004 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCCOC3)n2C[C@]2(O)CCC[C@@H]2C)n1 1300680981 IMTCNJKMGOHBAX-DCLXLUIPSA-N 456.591 2.206 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H](C(C)C)N2CCOCC2)CC1 1300690504 BOZZERUXWQPZPF-QFIPXVFZSA-N 482.629 2.074 30 10 JEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](C)N(C)Cc2ccccc2)CC1 1300707445 ZIZKUMUZRGJESE-QHCPKHFHSA-N 460.630 2.415 30 10 JEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](c2cccc(OC)c2)C1 1300768452 RKGJVXLYPWHMAV-HXUWFJFHSA-N 455.584 2.353 30 10 JEEE C=CCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1301137450 RLBRSPRGROKMEZ-UHFFFAOYSA-N 453.591 2.444 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1301483809 WWOYZVKWIYAWBL-GOSISDBHSA-N 462.558 2.132 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H](n2cncn2)C1 1301586999 LDTIBXGCUQBJSA-MRXNPFEDSA-N 477.541 2.181 30 10 JEEE CC(=O)NCC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCSCC2)CC1 1301889628 AJXZZAUCOJMSBW-UHFFFAOYSA-N 483.642 2.130 30 10 JEEE CN(C[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCOC2)C1)S(C)(=O)=O 1314803312 FSLQFOXOVAQOEK-VQTJNVASSA-N 472.615 2.351 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1Cc1ccc(OC)nc1OC)[C@@H]1CCS(=O)(=O)C1 1358959908 RXDSAUGJDWWCGN-GOSISDBHSA-N 497.577 2.041 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1CC1(N(C)C)CCC1)[C@H]1CCS(=O)(=O)C1 1358960130 YAVNKSQLEZIIRP-IBGZPJMESA-N 487.626 2.073 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1ccc(F)c(COC)c1)[C@@H]1CCS(=O)(=O)C1 1358964945 KMMWETFNUHDZPX-OAQYLSRUSA-N 483.569 2.224 30 10 JEEE C#CCN(c1nnc(COc2ccccc2OCC)n1Cc1cc(C)on1)[C@@H]1CCS(=O)(=O)C1 1358968043 YFTIAYSKDPJREB-LJQANCHMSA-N 485.566 2.227 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(=O)N[C@H](C)CC 1358994151 GHJCKKPRAQFHAE-UXHICEINSA-N 486.617 2.354 30 10 JEEE C#CCSCCn1c(Cn2ccc3ccccc32)nnc1N1CCC(NS(C)(=O)=O)CC1 1359060442 VSEDMSSJYBRVSX-UHFFFAOYSA-N 472.640 2.166 30 10 JEEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(NS(C)(=O)=O)CC1 1359062320 CVDGBJNISZWHMR-QZTJIDSGSA-N 469.677 2.081 30 10 JEEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 1359125369 AMUUDXUGHGHXKP-FBPBVXOASA-N 474.650 2.395 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCCCS1(=O)=O 1359257070 YHEAFJDCAMZEKG-UXHICEINSA-N 468.583 2.261 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@]2(CNC(=O)C2)C1 1359292180 JLKKNRPJTYKISA-UUOWRZLLSA-N 452.559 2.054 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 1359300260 XNDODRQDEILQQI-SJLPKXTDSA-N 461.588 2.075 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCN(c2cccc(OCC)n2)CC1 1359301719 IUIURCAREAWVHU-UHFFFAOYSA-N 479.560 2.431 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc3cccnc23)nnc1N1CCN(C(C)=O)C[C@@H]1C 1359329891 YKJLZIGAAHMNNO-KRWDZBQOSA-N 468.583 2.151 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)Cc1ccsc1 1359331349 WIJQOHCHXPBRNB-UHFFFAOYSA-N 484.607 2.491 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1359333440 XUVMNPUKCNRABI-HDICACEKSA-N 467.636 2.381 30 10 JEEE CC(C)CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 1464689918 AEKHPUIERSSVLC-NRFANRHFSA-N 450.543 2.232 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H](N1CCOCC1)C(F)(F)F 1507518382 LOJWNDPTJZTIGX-ZWOKBUDYSA-N 459.513 2.040 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1507520348 YUGHEPINJCOUDQ-KDLAUNOPSA-N 457.550 2.260 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2cccc(C(OC)OC)c2)CC1 1507720517 USQDOOIHSFKJAA-RUZDIDTESA-N 469.586 2.025 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCCO[C@@H](C)C2)CC1 1507735226 OSNNBQNUVWMGIL-NRFANRHFSA-N 489.624 2.283 30 10 JEEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CCS(C)(=O)=O)C1CC1 1507868419 JPCGYEGYPGXXOL-INIZCTEOSA-N 490.026 2.352 30 10 JEEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1CCN(C(=O)OC)CC1 1507972662 KJCQWBXHEGUVGQ-UHFFFAOYSA-N 476.603 2.296 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@@]2(CCOC2)C1)C(C)C 1508014697 WOIDVKIBBBBYFP-QPPBQGQZSA-N 455.607 2.373 30 10 JEEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(OC)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1508025978 RKDYWQZPXRGJIG-QHCPKHFHSA-N 472.567 2.331 30 10 JEEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCCN(c2ncccc2F)CC1 1508095784 ULKYVISJXPQXPT-UHFFFAOYSA-N 479.560 2.453 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCCO[C@H]2C(C)C)C1 1508113801 IDQXBIFSYOLAEU-MANSERQUSA-N 455.625 2.121 30 10 JEEE CC1(C)CCCN(CCn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@H](S(C)(=O)=O)C2)C1 1510312022 DLKHIASDKNMISE-NRFANRHFSA-N 486.642 2.474 30 10 JEEE CC1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(C(N)=O)CCOCC2)CCS1 1510339024 DTAZQNCQVUFRHE-UHFFFAOYSA-N 470.599 2.343 30 10 JEEE CCN1CCN([C@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCCO[C@@H](C)C2)CC1 1515903959 ICYXKNCBFOTOOX-RTWAWAEBSA-N 467.618 2.370 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2Cc2cccc(N3CCOCC3)n2)c1 1539046369 SKGHZNBULILPLC-UHFFFAOYSA-N 489.580 2.151 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1CCn1c(C)nc2ccccc21 1539396260 MXKVIBNWTJCSOS-UHFFFAOYSA-N 458.526 2.370 30 10 JEEE C#CCSCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCN(C)C(=O)[C@H]1C 1539510657 LSQCJLQXERASND-QGZVFWFLSA-N 479.610 2.269 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccnc(C(F)(F)F)c1 1539539034 OATODQQATPBBCZ-SCLBCKFNSA-N 456.494 2.343 30 10 JEEE C=CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1CCCS(=O)(=O)C1 1540044163 NKEIWVKWKNKSQD-INIZCTEOSA-N 451.980 2.309 30 10 JEEE C=CCN(C)c1nnc(-c2ccc3ccccc3n2)n1CCNS(=O)(=O)Cc1ccon1 1540059033 LUSPFYQZKGCISJ-UHFFFAOYSA-N 453.528 2.223 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1540872217 HHBVZBCWOXSVQU-LJQANCHMSA-N 456.978 2.416 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2cccc(F)c2F)CC1 1540902120 AYZBRZQSMIBXID-QGZVFWFLSA-N 481.569 2.378 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1CN1CCCC1=O 1541803082 CAFVACOKCZHCDR-PXNSSMCTSA-N 470.599 2.089 30 10 JEEE Cc1nc(COc2ccc(NC(=O)C[C@@H](C)/N=C3/NS(=O)(=O)c4ccccc43)cc2)no1 1543302289 BWVLOGYEVBXWHV-CYBMUJFWSA-N 455.496 2.413 30 10 JEEE CN(CC(C)(C)CNC(=O)OC(C)(C)C)C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1545309941 FAYXEFSXULAXEU-UHFFFAOYSA-N 452.577 2.125 30 10 JEEE C=CCO[C@H]1CCN(C(=O)CS[C@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)C1 1546131679 IQTQZPYTTSYGJL-MJGOQNOKSA-N 458.584 2.348 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCn1ccnc1C 1587579566 IDYRNXHNEWAMLW-QGZVFWFLSA-N 455.588 2.249 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@H]1CCCS(=O)(=O)C1 1587620798 KNIYKYGUUXCEQO-ROUUACIJSA-N 482.610 2.348 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OCC)CCOC3)n2CC[C@H]2CCOC2)c1 1587689639 OAWSALRXXLSNSW-NBGIEHNGSA-N 467.570 2.413 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2CCOC[C@H]2OC)c1 1587697265 LPVDSZWZPGSGPA-JTHBVZDNSA-N 491.596 2.247 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1C[C@@H](C1CC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1588041547 XSMNBJOURHWTJB-YADHBBJMSA-N 455.628 2.474 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1-n1nc(C)cc1C 1588181297 QUZLGZHASJGINP-HXUWFJFHSA-N 479.610 2.202 30 10 JEEE C#CCN(CC#CC)c1nnc(Cc2cccnc2)n1CCNS(=O)(=O)c1ccc(C)s1 1588241813 WPRSXGHUJOWZFO-UHFFFAOYSA-N 468.608 2.075 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCCCS2)n1 1588695188 FMHAINBPOBGPTA-HXUWFJFHSA-N 471.631 2.283 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCC(=O)N3)n2Cc2cscc2C)n1 1588722736 DQQJPONYLJRAFX-LJQANCHMSA-N 453.572 2.130 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2CCCN2CCCO[C@@H](C)C2)CC1 1588848930 RBQAIJMHRAZTCB-NRFANRHFSA-N 454.594 2.264 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1589506319 UWVGJCFSVJILEI-UHOSZYNNSA-N 461.544 2.458 30 10 JEEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 1594803564 XUIVQOZNEZWIDJ-UHFFFAOYSA-N 467.549 2.302 30 10 JEEE C=CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1Cc1ccc(C)n(C)c1=O 1595283921 ZJWMDDZYDLRFNV-UHFFFAOYSA-N 451.527 2.411 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1595501618 ZWXUYXWLDUHPFY-FXAWDEMLSA-N 458.994 2.448 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCCN(C(=O)CCc2ccccc2)CC1 1595545465 XNTACSABBWKYDZ-JOCHJYFZSA-N 480.613 2.146 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 1595798049 MBHMXCMMCRTISM-KSZLIROESA-N 483.635 2.470 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCCN(C(=O)c2ccc(Cl)cc2)CC1 1595805599 RDMRLDCXFYECBS-UHFFFAOYSA-N 466.007 2.447 30 10 JEEE C=CCSCCn1c(-c2ccccc2OC)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1595859977 FIIHKQFDTWJKLU-INIZCTEOSA-N 468.587 2.405 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)C[C@@H](C)C#N)n1CCc1csc(C(C)(C)C)n1 1596788754 CMZIHAKLABHZMH-KBPBESRZSA-N 453.638 2.481 30 10 JEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](O)CS(=O)(=O)c1cccs1 1631272335 LCZGWGBUJWVOCN-CHWSQXEVSA-N 452.982 2.035 30 10 JEEE C=CC1(CC(=O)NN2C(=O)N[C@@](C)(c3cccc(OC)c3)C2=O)CN(C(=O)OC(C)(C)C)C1 1634480969 PJPLNZUPJZQQOE-QFIPXVFZSA-N 458.515 2.307 30 10 JEEE C#C[C@@H](NC(=O)CN1CCN(Cc2ccc(Br)cc2F)CC1)C1CCOCC1 1645988324 YPUHYWNHVYXPBU-HXUWFJFHSA-N 452.368 2.250 30 10 JEEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](CC(C)C)c2ccccc2OCCC)CC1 1680155908 ZARUHPFVGXVNHZ-FQEVSTJZSA-N 450.605 2.357 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccccc1C(F)(F)F 1689853588 WEKGVBFIOXVGCK-MAUKXSAKSA-N 485.532 2.330 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1cccc(C(=O)NCCC)c1)[C@H]1CCS(=O)(=O)C1 1689980320 PPJXGNONIQPGJL-FQEVSTJZSA-N 471.627 2.390 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@@]1(O)CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1689994339 WNGKAFOZQUCSFN-AVRDEDQJSA-N 462.641 2.498 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2c(F)cccc2F)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1690021300 OWAMPSLHRHZZRG-JOCHJYFZSA-N 468.552 2.163 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)N2CCC(C)CC2)CC1 1690137182 PJMSTKKDYNJRGZ-FQEVSTJZSA-N 492.628 2.012 30 10 JEEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1690182709 DWFSXLBBLSOWAV-SIKLNZKXSA-N 466.611 2.252 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCCOC)cc1 1690206704 XPFUQKGQUUBNLP-WMZHIEFXSA-N 458.584 2.246 30 10 JEEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1690319686 VOGIUJRROPABDG-QHCPKHFHSA-N 470.666 2.337 30 10 JEEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1690485112 LXENCSMWHMHOFE-AWEZNQCLSA-N 453.506 2.169 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1ccccc1)N(C)C)C1CC1 1690545642 VTZCRERYFHMZFF-SFTDATJTSA-N 474.631 2.069 30 10 JEEE CCN(C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](OC)C2CC2)CC1)S(C)(=O)=O 1695570804 HUORJRBOQZJBAW-NRFANRHFSA-N 472.615 2.492 30 10 JEEE CCN1CCN([C@@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCc2cnccn2)CC1 1695866755 AUXFTBROVHFQMC-FQEVSTJZSA-N 459.602 2.312 30 10 JEEE CCN1CCN([C@H](C)Cn2c(-c3nnc(O)c4ccccc34)nnc2N(C)C[C@H](C)C#N)CC1 1695866913 BNGFYXSNKBBRMP-QZTJIDSGSA-N 463.590 2.216 30 10 JEEE CNS(=O)(=O)CCn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N1CCO[C@@H](C#N)C1 1697022215 DJDGVYHULJNDJH-INIZCTEOSA-N 476.559 2.091 30 10 JEEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC2CCCCC2)CC1 1697022633 ACPSISVXHALQQU-UHFFFAOYSA-N 471.631 2.068 30 10 JEEE C#CCCCn1c(Cc2cn3ccccc3n2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1705536597 RYMSSGNJLZIFGC-PMACEKPBSA-N 463.586 2.298 30 10 JEEE C#CCCCn1c(COc2ccccc2F)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1705537763 QEVQYLMPJODEPQ-SFHVURJKSA-N 454.550 2.199 30 10 JEEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(CC)(CC)NC(=O)OC(C)(C)C 1705541316 FUNBKFRISHMFAD-HNNXBMFYSA-N 456.613 2.041 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1ccc(OC)c(OCC)c1)[C@@H]1CCS(=O)(=O)C1 1705566649 PGNAUMOIZVUSMI-WOJBJXKFSA-N 488.610 2.254 30 10 JEEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1CC1=CCCOC1)[C@@H]1CCS(=O)(=O)C1 1705568616 RLFFTBNDBMHRSL-OAQYLSRUSA-N 470.595 2.447 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(O)CCN(C(C)C)CC1 1705591457 QFPVWBUTFBRVMO-UHFFFAOYSA-N 483.638 2.047 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@]2(C)CCCO2)CC1 1705632573 UWXXMOZGSDVQGS-HSZRJFAPSA-N 456.978 2.186 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCSCC(C)C)CC1 1705644406 PRTCFYDGDMJXKI-UHFFFAOYSA-N 469.615 2.280 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CC(C)(C)N2C[C@@H](C)O[C@H](C)C2)CC1 1705648769 YKAGJJYCKVTJHB-SJBKTWHCSA-N 486.661 2.373 30 10 JEEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1705665288 PTMPDVIDVVEZHA-HSALFYBXSA-N 475.659 2.391 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)N2CCC[C@@H](C)C2)CC1 1705769117 JCTLWPNTFABDIG-UXHICEINSA-N 480.679 2.278 30 10 JEEE C=C1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC2(C(N)=O)CCOCC2)CC1 1705769244 MVLVEXFXPHJERH-GOSISDBHSA-N 490.605 2.025 30 10 JEEE C=CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1705889672 UAYUOAZWHMZLDK-INIZCTEOSA-N 481.557 2.108 30 10 JEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@]2(C)[C@@H](C1)C2(Cl)Cl 1705907371 KLHFNOHDBHPVCE-DNVCBOLYSA-N 452.390 2.462 30 10 JEEE C=CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1705942466 TULKSGGUNBXZPJ-IAGOWNOFSA-N 464.569 2.382 30 10 JEEE CCn1nc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H](OC)C(C)(C)C)c2ccccc2c1=O 1710303886 FWYGYOORLLAEOZ-APWZRJJASA-N 465.558 2.465 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(c2ccc(OC)cc2)CCC1 1722382619 IVSASPCYXSPMBK-LJQANCHMSA-N 452.580 2.384 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccccc3C)n2C[C@H](N2CCOCC2)C(F)(F)F)CC1 1722436022 ZAOALDNBYMUCOK-FQEVSTJZSA-N 462.520 2.272 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1722509314 XAIXQOMFLZBLLD-REWPJTCUSA-N 482.633 2.097 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 1722523095 AEQBUAGOLOWRJZ-LJQANCHMSA-N 476.559 2.264 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Br)c2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1722724259 RNBMUHRVJFLLDA-CVEARBPZSA-N 497.371 2.423 30 10 JEEE C=CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(C(=O)NCC)CC1 1722742484 VOCGJDVJTQBTAD-UHFFFAOYSA-N 454.604 2.287 30 10 JEEE CCCn1nc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@H](COC)OC)c2ccccc2c1=O 1728162247 GKZSJHYPDXCQQQ-WAIKUNEKSA-N 469.521 2.168 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc(OC(F)(F)F)cc1 1740533086 ONBVCYHPVZGFPM-UONOGXRCSA-N 459.494 2.488 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(F)cc1Cl 1740548809 CBYHLRRDKHIJOI-KSSFIOAISA-N 469.970 2.104 30 10 JEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)c2ccc(F)cc2)CC1 1740590105 FLPFRYFXTBRVBR-GOSISDBHSA-N 473.574 2.132 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1Cc1cnn(CC)c1)[C@@H]1CCS(=O)(=O)C1 1740627060 DPOFBGGMOUMVKF-OAQYLSRUSA-N 482.610 2.365 30 10 JEEE C#CCN(c1nnc(COCC)n1CCc1c[nH]c2c(C)cccc12)[C@@H]1CCS(=O)(=O)C1 1740628646 SBUVCORVXRMPNZ-LJQANCHMSA-N 455.584 2.474 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H](C)CN1CCOCC1 1740653650 STCGQDUCTYSXIP-OAQYLSRUSA-N 487.608 2.106 30 10 JEEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCC(=O)Nc1cccc(Cl)c1C 1740661645 GXYGPHCATRGNAO-OAHLLOKOSA-N 466.995 2.338 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2C[C@@H](CCC)OC)CC1 1740705357 GDEOKMWCLBZECY-JOCHJYFZSA-N 494.644 2.233 30 10 JEEE C=C(Br)Cn1c(N2CCN(c3ncc(F)cn3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1740749822 FUAYJFXBIMKMLQ-FQEVSTJZSA-N 496.385 2.483 30 10 JEEE C=C(C)Cn1c(N2CCN(c3nccnc3C#N)C[C@H]2C)nnc1[C@]1(OC(C)C)CCOC1 1740785891 IAIPONBGTJAOPU-JPYJTQIMSA-N 452.563 2.272 30 10 JEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2cnn(-c3ccccc3)c2)CC1 1740818490 LAOAYEHWQMAUEG-GOSISDBHSA-N 455.588 2.473 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1740926270 UMMRMAZERNLTMV-IIBYNOLFSA-N 450.536 2.285 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CC[C@@H](C(=O)N(C)c2ccccc2)C1 1740990991 LQZUSPGFECBRNW-WOJBJXKFSA-N 487.626 2.262 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCC(=O)N1CCCCCC1 1748665724 UNOJDQLBJZHJMA-GOSISDBHSA-N 461.570 2.443 30 10 JEEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 1748747474 IGYUSMJXGCDFHL-SFHVURJKSA-N 458.925 2.398 30 10 JEEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1CC(C)(C)C(=O)NC)[C@@H]1CCS(=O)(=O)C1 1748805958 YOOZPKCUUOFEAH-WOJBJXKFSA-N 471.627 2.219 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2CC2(O)CCN(C(C)C)CC2)CC1 1749011166 WZELFCDJSYOXSL-UHFFFAOYSA-N 482.604 2.285 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2CCN2CCC[C@@H]2C)CC1 1749015326 DAHGMPVUVZXGQF-NRFANRHFSA-N 464.614 2.350 30 10 JEEE C#CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CCN(c2cnn(C)c2)CC1 1749023641 ZEDQBFZPESHZGP-UHFFFAOYSA-N 489.447 2.473 30 10 JEEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1749040505 YZDLWYIWISDICH-KRWDZBQOSA-N 452.588 2.205 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCCO2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1749131487 SQMQSYYVGAOLLF-XJUOHMSHSA-N 474.650 2.491 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1749136630 PVJWFKJVAZGBOX-XLIONFOSSA-N 498.550 2.277 30 10 JEEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1749195723 YSUVJICMJJKFSS-KURKYZTESA-N 451.568 2.403 30 10 JEEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](c2ccccc2)C1 1749229484 KYLWMONNHQQLOD-LEWJYISDSA-N 475.615 2.198 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2CN(C(=O)OC(C)(C)C)C2)CC1 1749302986 CLYKCLDWTOWWDL-QGZVFWFLSA-N 451.593 2.204 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)NC[C@@H]2C1 1749368302 GHGNSATYOVUTSF-QZTJIDSGSA-N 489.621 2.403 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccnc2)n1CCS(=O)(=O)N(C)C 1749531087 GWJXHKIRZWPHPF-UHFFFAOYSA-N 451.556 2.296 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC(N(CC)C(=O)OC(C)(C)C)CC1 1749663630 LAJXBEYPDCEDDG-UHFFFAOYSA-N 472.594 2.207 30 10 JEEE C=CCNC(=O)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1749677120 OAHVKIIKZOCTDE-IBGZPJMESA-N 463.586 2.393 30 10 JEEE C=CCOc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CCC[C@H](CC(N)=O)C2)cc1 1749686269 SFONCEPWEYPZRN-LJQANCHMSA-N 452.559 2.105 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2ccn(C)n2)C1 1749713582 VCTSBEZHTJZJIV-RBUKOAKNSA-N 473.578 2.150 30 10 JEEE C[C@@]1(C(N)=O)CCN(c2nnc(COc3ccc(C#N)cc3)n2CCn2cc(Br)cn2)C1 1751281375 CKHNOBCDMPFLKF-OAQYLSRUSA-N 499.373 2.090 30 10 JEEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1760187568 KGTMNIYXHLHXGM-LUKYLMHMSA-N 487.548 2.225 30 10 JEEE C#CCN(c1nnc(CCOc2ccccc2)n1Cc1ccc(C)nc1)[C@H]1CCS(=O)(=O)C1 1760191570 JQWYWTMOOALSEU-NRFANRHFSA-N 465.579 2.278 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccc(CC)cc1)N(C)C 1760205484 BYDRLHIIXFUTRN-FGZHOGPDSA-N 453.612 2.118 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCCCS1(=O)=O 1760240932 ILKSZXVVTPHXKY-FQEVSTJZSA-N 456.547 2.425 30 10 JEEE C#CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(c2nccc(OC)n2)CC1 1760282572 IZSGUBVQIKXKAB-UHFFFAOYSA-N 467.574 2.500 30 10 JEEE C=C(C)COCCn1c(N2CCN(C(=O)N3CCCCC3)CC2)nnc1[C@@]1(OCC)CCOC1 1760361271 ITWUHLOQIXBTOC-XMMPIXPASA-N 476.622 2.251 30 10 JEEE C=CCCOCCn1c(-c2nnc(O)c3ccccc23)nnc1N1C[C@H](C)O[C@@H](COC)C1 1760449476 KYGKINXSMNNGBS-DLBZAZTESA-N 454.531 2.427 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@@H]1C[C@H](OCC)C12CCC2 1760517214 GPKCGZUNFSCURF-UXHICEINSA-N 487.626 2.435 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CCN(CCOC)[C@@H](C)C1 1760518641 CNIXETMBDWARSZ-INIZCTEOSA-N 477.407 2.167 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC(F)(F)F)C1 1760549909 OPELROVEADIEJM-KRWDZBQOSA-N 464.448 2.189 30 10 JEEE Cc1ccc(OCc2nnc(N(C)C[C@H](C)C#N)n2CCS(=O)(=O)N2CCSCC2)cc1 1761819525 CTQTWICHKRMHLD-GOSISDBHSA-N 478.644 2.140 30 10 JEEE CCNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2CCOCC2)CC1 1765588860 BKPBOYYILBEFKN-UHFFFAOYSA-N 465.602 2.280 30 10 JEEE COc1ccccc1O[C@@H](C)Cn1c(C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1768957716 DVLCDDVGQWJFMF-INIZCTEOSA-N 450.547 2.303 30 10 JEEE C=C(C)Cn1c(COc2ccccc2OC)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1772543475 MQYJONJGBYKAJJ-CTNGQTDRSA-N 468.602 2.431 30 10 JEEE N#Cc1nnn(-c2cccc(Br)c2)c1NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1870155436 NCRFMJDRIYDBEO-UHFFFAOYSA-N 496.237 2.044 30 10 JEEE C=CCn1cc(OCC(=O)Nc2nc(C)c(C(C)=O)s2)c(=O)cc1CN(CCOC)CCOC 1870585126 OCKXMKCOOZHQLT-UHFFFAOYSA-N 492.598 2.114 30 10 JEEE C=CCn1cc(OCCCOc2ccc(OC)cc2)c(=O)cc1CN1CCN(CCO)CC1 1870595872 TVNSHSPVMLWFDA-UHFFFAOYSA-N 457.571 2.001 30 10 JEEE C=CCN(CC=C)c1nc(=NCCCN2CCOCC2)nc(Nc2ccc(N(C)C)cc2)[nH]1 1871694178 GSFKCMWKSNEAFC-UHFFFAOYSA-N 452.607 2.416 30 10 JEEE C=CCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2ccc3c(c2)OCCO3)[nH]1 1871711741 RUWDFRSPMQDHBA-UHFFFAOYSA-N 475.553 2.163 30 10 JEEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)N1CCN(CCO)CC1)n2Cc1ccccc1 1873555090 KCMHGUREMIKLQH-UHFFFAOYSA-N 460.582 2.408 30 10 JEEE CCN1CCN(CC#CCOC2CCN(C(=O)c3cc(OC)c(Br)cn3)CC2)CC1 1889422357 VYPDLOVJERMIHE-UHFFFAOYSA-N 479.419 2.115 30 10 JEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CC(=O)N2CCC[C@@H](B3OC(C)(C)C(C)(C)O3)C2)C1 2180986663 GBHGMDJCPUCWOT-IAGOWNOFSA-N 486.440 2.495 30 10 JEEE C[C@H](C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1)N1CCN(C(=O)OC(C)(C)C)CC1 2206616513 JLWQRSDXGMNFGD-MRXNPFEDSA-N 460.384 2.261 30 10 JEEE CN[C@@H](C#Cc1ccccc1Br)[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 2235730822 PDEXZMWMZLTZER-IRXDYDNUSA-N 457.390 2.423 30 10 JEEE CC(C)(C)OC(=O)NC[C@H](CO)NC(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2255764535 DCIVJLLDLNYAGT-CQSZACIVSA-N 454.760 2.255 30 10 JEEE Cc1sc(C(=O)NC[C@@H](CO)NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1C 2255852809 IWSUHZCWDFSIEH-AWEZNQCLSA-N 454.398 2.280 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(CN(C)C(=O)[C@H](CO)NC(=O)OC(C)(C)C)s1 2256611871 ATYWCEXJSXBUBE-HNNXBMFYSA-N 454.398 2.200 30 10 JEEE CC(C)(C)OC(=O)NC[C@@]1(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)s2)CCCO1 2256636692 OFVPGNUIEHNQMF-HXUWFJFHSA-N 453.370 2.455 30 10 JEEE C=CCCC1(C(=O)Nc2c(I)ncnc2I)CNC1 2266311482 AJNXTVOJHYFSET-UHFFFAOYSA-N 484.079 2.180 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H](CNC(=O)OC(C)(C)C)C(C)C 2267153226 WCBRDXZLCXAYKE-OAHLLOKOSA-N 450.389 2.307 30 10 JEEE Cn1nc(C(=O)N[C@@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2267186261 HCMBTAIIMLCOPZ-LAJNKCICSA-N 466.775 2.112 30 10 JEEE CN(C1CC(OCc2ccccc2)C1)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2267369059 RNXLDQDYYOXSNN-UHFFFAOYSA-N 461.393 2.088 30 10 JEEE CCN(C1CN(C(=O)OC(C)(C)C)C1)S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2267377868 LPBSLKPCTJPLCB-UHFFFAOYSA-N 467.397 2.011 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)c2ccsc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1CO 2267460973 MSWMCKHTMAQZJL-GDBMZVCRSA-N 466.409 2.395 30 10 JEEE CC[C@@](C)(CNC(=O)OC(C)(C)C)N(C)C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2267509818 AYWZIZMZTFSXKF-QFIPXVFZSA-N 450.389 2.485 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@H](CCNC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)C1 2267538168 LJKATTDHKNPNCS-AWEZNQCLSA-N 467.397 2.198 30 10 JEEE CC(C)(C)OC(=O)NCCN(CCO)c1ccc([N+](=O)[O-])c(B2OC(C)(C)C(C)(C)O2)c1 2267781203 PBFJCBUECXPSKC-UHFFFAOYSA-N 451.329 2.217 30 10 JEEE COc1ccc(NC(=O)[C@H](O)[C@@H](C)NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2268633326 BMQBMRVOUSXDGW-CXAGYDPISA-N 450.341 2.207 30 10 JEEE COC[C@H](CC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F)NC(=O)OC(C)(C)C 2268706112 MBCIKPZWWVFXBZ-AWEZNQCLSA-N 453.320 2.388 30 10 JEEE CC[C@H]1CN(C(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)CC[C@H]1NC(=O)OC(C)(C)C 2281975181 JHMFHABOQJSFBI-DOTOQJQBSA-N 462.400 2.485 30 10 JEEE Cc1nn(C)c(C(=O)N2[C@H]3CC[C@@H]2CN(C(=O)OC(C)(C)C)C3)c1B1OC(C)(C)C(C)(C)O1 2281987226 XAPAXMRRBCJRHP-IYBDPMFKSA-N 460.384 2.252 30 10 JEEE Cc1nn(C)c(C(=O)N2CCC3(CN(C(=O)OC(C)(C)C)C3)C2)c1B1OC(C)(C)C(C)(C)O1 2281988587 OMDOFPXRMYCBBY-UHFFFAOYSA-N 460.384 2.111 30 10 JEEE CC(C)(C)OC(=O)NC1C[C@@H]2CC[C@H](C1)N2C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2282188183 SBPLJDJFLVBFLD-MQVJKMGUSA-N 458.368 2.436 30 10 JEEE CC(C)(C)OC(=O)NCCN(CC(F)F)S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282349748 CSAKKQIEVIRIEK-UHFFFAOYSA-N 491.366 2.161 30 10 JEEE CC(C)(C)OC(=O)N1CC(CO)(CNC(=O)c2cccc(F)c2B2OC(C)(C)C(C)(C)O2)C1 2282408354 CLDZTQANLXGYIV-UHFFFAOYSA-N 464.343 2.084 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)CCC[C@H]2C1 2282579916 LUFNLXSGAQRACH-XHSDSOJGSA-N 460.384 2.474 30 10 JEEE COc1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2C[C@H]2NC(=O)OC(C)(C)C)cc1OC 2282590559 CQHKBZCGQIGFRR-HZPDHXFCSA-N 462.352 2.398 30 10 JEEE Cc1c(C(=O)NC2CC(F)(CNC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282597434 HDENJHAEHSIABP-UHFFFAOYSA-N 466.363 2.153 30 10 JEEE CC(C)(C)OC(=O)NC1CC2(C1)CN(S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1)C2 2282832948 DJLGJEXJADWKGS-UHFFFAOYSA-N 499.464 2.261 30 10 JEEE C[C@@H]1C[C@@H](NC(=O)C(F)(F)F)CCN1C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1O 2282882970 TWDHCHZDDRDCHI-OCCSQVGLSA-N 456.270 2.363 30 10 JEEE COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1NC(=O)[C@H](CN(C)C)NC(=O)OC(C)(C)C 2283949736 CBCDJGKCRRBIIJ-KRWDZBQOSA-N 463.384 2.388 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)OCC12CC2 2284132566 HFILRZYIZYNNSD-OAHLLOKOSA-N 479.408 2.227 30 10 JEEE C=CC[C@](C)(NS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC)C(F)(F)F 2286039200 HLISLSRWKXTLRV-YOEHRIQHSA-N 452.451 2.271 30 10 JEEE Cn1ncc(C(=O)N2CC(F)(F)C[C@H]2CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2296421755 SVCXAISMNDAFKW-ZDUSSCGKSA-N 470.326 2.094 30 10 JEEE CN(CC1CN(C(=O)OCc2ccccc2)C1)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2315529627 WOFVEMMBGVBPRK-UHFFFAOYSA-N 468.363 2.060 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1 2337197706 AAKSPKVXOPZUOF-LJQANCHMSA-N 482.390 2.498 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(N2CCC(NC(=O)OC(C)(C)C)(C(N)=O)CC2)n1 2362158271 XXQUSSMBFUCSEH-UHFFFAOYSA-N 460.384 2.038 30 10 JEEE CC(C)(C)OC(=O)NCC12CC(CCN1C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)C2 2366059752 VXLBZFYWRQNHSG-UHFFFAOYSA-N 458.368 2.295 30 10 JEEE Nc1cc(S(=O)(=O)OCC(F)(F)C(F)F)ccc1S(=O)(=O)OCC(F)(F)C(F)F 2976494 NZNZVFCRUYILBO-UHFFFAOYSA-N 481.339 2.480 30 10 JEEE C[C@]12CCC(=O)C=C1CC[C@H]1[C@H]2C(=O)C[C@]2(C)[C@@H]1CC[C@@]2(O)C(=O)COC(=O)CCC(=O)O 503938979 WVSVAJGDZIWYBX-KVGGNSOTSA-N 460.523 2.406 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(N4CCN(CC(=O)OC)CC4)cc3)cc2C1=O 728834781 UAITYVOBGYCTDS-UHFFFAOYSA-N 462.506 2.016 30 10 JEEE Nn1c(NN=Cc2cc(Br)ccc2O)nnc1SCC(=O)Nc1ccccn1 1084418925 DTMFDRLELOEQEL-UHFFFAOYSA-N 463.321 2.032 30 10 JEEE Cc1ccc(C(=O)NCC(=O)[C@H](C#N)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)s1 1115857910 CIHMXWKSEXIPFN-SFHVURJKSA-N 488.591 2.309 30 10 JEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1ccc(Br)c(S(=O)(=O)N(C)C)c1 1278476574 CTPYOHGALYNZMI-UHFFFAOYSA-N 459.362 2.117 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CC1(C)CCOCC1)[C@H]1CCS(=O)(=O)C1 1286383419 MMXHUMHRVSZPEI-FQEVSTJZSA-N 453.568 2.260 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(C(=O)N3CCCC3)n2Cc2ccc(F)cc2F)n1 1286469146 DDVSWXLLYCSJQM-UHFFFAOYSA-N 483.523 2.323 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2ccccn2)CC1 1286493023 SIONHRFPWSGATH-UHFFFAOYSA-N 469.549 2.332 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1286558324 NITBUMYGAZTADO-PXDATVDWSA-N 481.645 2.236 30 10 JEEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1286600722 DAIAPWIDMHLOCC-QGZVFWFLSA-N 450.584 2.455 30 10 JEEE C=CCCOCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1286707572 GWPTWVSCIHOZOA-SFHVURJKSA-N 460.966 2.414 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CCO[C@@H]1C 1286758518 PHQNIBMEGFXALN-IEGUWTFLSA-N 463.579 2.305 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC=C(C(F)(F)F)CC1 1286782305 QHCFPJHXGUABNP-UHFFFAOYSA-N 469.489 2.350 30 10 JEEE C[C@H](C#N)CN(C)c1nnc(Cc2cn3ccccc3n2)n1CC1CCN(CCN(C)C)CC1 1286967530 HPPQBAQXNZDTNE-HXUWFJFHSA-N 463.634 2.386 30 10 JEEE CC(C)N1CCC[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CC(=O)N2CCOCC2)C1 1287978327 CUFGVEKZUVMUHX-OAQYLSRUSA-N 465.602 2.232 30 10 JEEE Cc1ccccc1C1(Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@H](C#N)C2)CCOCC1 1290092527 BVQMXXLDFNZEHY-LJQANCHMSA-N 452.559 2.202 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3csc(C)n3)n2C[C@]2(C)COCCO2)c1 1300334958 XFSQDZAZILPYFR-XMMPIXPASA-N 480.594 2.496 30 10 JEEE C#CCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1300441354 LTAKKBBSPPOSCB-MJGOQNOKSA-N 458.544 2.127 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CCc1nc(C)c(C)s1)[C@H]1CCS(=O)(=O)C1 1300479583 PRZRZVXOJISXBO-SFHVURJKSA-N 492.671 2.139 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H]1OCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1300483264 KAQUDVGSMHYKMA-PLMTUMEDSA-N 474.583 2.014 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@@H](CC)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1300483779 NODIBBGJECZDLV-RTWAWAEBSA-N 471.627 2.455 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2Cl)n1CC(=O)N(C)CC)[C@@H]1CCS(=O)(=O)C1 1300488292 CLROXFSHHJGWDO-OAHLLOKOSA-N 484.409 2.357 30 10 JEEE C#CCN(c1nnc(COc2ccccc2CC)n1C[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1300504610 OUUJIDBXYLQBGQ-AZUAARDMSA-N 458.584 2.083 30 10 JEEE C#CCN(CC)c1nnc(COc2ccc(Br)cc2)n1Cc1cn(C2COC2)nn1 1300638792 XKZOGVYHAOEFQU-UHFFFAOYSA-N 472.347 2.290 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCS(=O)(=O)N1CCSCC1 1300642866 WFAOHGRPCSYPLE-QZTJIDSGSA-N 469.677 2.035 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H]1CCCS(=O)(=O)C1 1300651016 YWJIMFJHPQTPFK-LJQANCHMSA-N 473.599 2.058 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCOC3)n2Cc2cccc(O)c2)n1 1300681586 VAOGAQGZJHFHOT-FQEVSTJZSA-N 450.543 2.409 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@](C)(OC)C2CC2)CC1 1300699720 GLJQSBATALOHKG-NLFFAJNJSA-N 488.633 2.157 30 10 JEEE C=C(Br)Cn1c(-c2cc(Br)cn2C)nnc1N1CCN(C)C(=O)C1 1300830136 PWRHYBJVLFXJBZ-UHFFFAOYSA-N 458.158 2.233 30 10 JEEE C=C(Br)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1300830368 UYHYWVHTDHDIIB-UHFFFAOYSA-N 491.390 2.036 30 10 JEEE C=C(C)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1300939576 YUPLTTOAEGJUDO-UHFFFAOYSA-N 458.544 2.170 30 10 JEEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 1300983515 KQYHVJAGRMWIRH-UHFFFAOYSA-N 484.649 2.088 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1300990067 SZFNWZXBSLLPIA-FQEVSTJZSA-N 479.647 2.002 30 10 JEEE C=CCn1c(-c2ccc(OC)cc2)nnc1N1C[C@@H]2[C@@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1301445725 GHQGKOPJCPKHFG-QYZOEREBSA-N 489.598 2.266 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Br)c2)nnc1N1C[C@H](OC)[C@H](OC)C1 1301568206 DNLYOJQZUBNVTK-CALCHBBNSA-N 485.404 2.158 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC(O)(c2c(F)cccc2F)CC1 1301595864 CJBYNNGTPLVWIQ-GOSISDBHSA-N 482.553 2.497 30 10 JEEE C#Cc1cccc(NC(=O)NC(=O)CN2CCC(C(=O)NCCCN3CCCCC3)CC2)c1 1307599655 PKAFLQDOOREUQZ-UHFFFAOYSA-N 453.587 2.020 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2Cc2cccnc2N2CCOCC2)c1 1358903488 YQCNKDWYXJHINJ-UHFFFAOYSA-N 489.580 2.151 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CC1(CCOC)CC1)[C@H]1CCS(=O)(=O)C1 1358957860 BPSFDNYZDPFHRF-FQEVSTJZSA-N 453.568 2.260 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CC(O)(CC)CC)[C@H]1CCS(=O)(=O)C1 1358967233 GIVJMUCQFXYZDP-SFHVURJKSA-N 464.563 2.174 30 10 JEEE C#CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1CC1)[C@H]1CCS(=O)(=O)C1 1358968049 YHJRJELYSAAACM-KSZLIROESA-N 463.604 2.086 30 10 JEEE C#CCN(CCOC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1359018962 HGQXPPPLXZXSPV-OYDLWJJNSA-N 462.591 2.133 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@@H](COC)OC)CC1 1359032290 JFIZPAQNBSJRDD-INIZCTEOSA-N 466.355 2.263 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@@]2(OC)CCOC2)CC1 1359032959 KQUNCOQOUJYBJO-VWLOTQADSA-N 469.586 2.302 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](C)Cc2ccc(OC)cc2)CC1 1359040411 TYSXVETZJQSBCK-LJQANCHMSA-N 480.613 2.270 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2C[C@@H]2CC(F)(F)CO2)CC1 1359047743 RLTQKTJXRGRCBK-KRWDZBQOSA-N 477.487 2.386 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](c2nc(CC)cs2)C1 1359291567 VSKCANOQRAMMNX-INIZCTEOSA-N 457.604 2.219 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC([C@@H]2CCOC2)CC1 1359304493 ZFCNHIKNCGSLTG-HXUWFJFHSA-N 450.543 2.284 30 10 JEEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@]2(Cc3ccc(Cl)cc3)C[C@H]3CC[C@H]2C3)CC1 1455116021 VRRYWLPPSXYHDL-CNNODRBYSA-N 450.004 2.301 30 10 JEEE Cc1ccc(C(=O)N2CCN(c3ccc(C#N)nc3)CC2)cc1S(=O)(=O)N1CCCCC1 1471717735 CRMHJDNQMQKXEB-UHFFFAOYSA-N 453.568 2.399 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2C[C@H](C(C)C)N2CCOCC2)c1 1507549859 RACNYNCDUMTUFP-HSZRJFAPSA-N 488.596 2.148 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1507628528 OYLILWAHLWIQLD-NRFANRHFSA-N 453.568 2.260 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1cccnc1OCCCC)[C@@H]1CCS(=O)(=O)C1 1507632537 MWQGYMUVDMUIME-WOJBJXKFSA-N 473.599 2.031 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@H](C)c1nccs1)[C@H]1CCS(=O)(=O)C1 1507640173 PYKZMPUKOXWNSI-YJBOKZPZSA-N 473.628 2.027 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@@H]1CCCN1CC)[C@@H]1CCS(=O)(=O)C1 1507640585 UCWTWRDDTYFSQU-RBUKOAKNSA-N 475.590 2.107 30 10 JEEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCCN(Cc2ccccc2)C1 1507642109 GTRBWRVPSYBXAM-JTHBVZDNSA-N 482.654 2.263 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](c2ccccc2Cl)N(C)C)CC1 1507716113 MOMRRQKTCBBRQS-HXUWFJFHSA-N 458.010 2.128 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(F)c(F)c2)CC1 1507733582 DOYTZWXWABQXCY-UHFFFAOYSA-N 479.491 2.218 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2C[C@H](c2ccc(C)o2)N2CCOCC2)CC1 1507734293 UGHVTSWNMDAEAR-OAQYLSRUSA-N 468.602 2.342 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2CCC(=O)NC(C)C)CC1 1507740257 KKEYEDIHYVVHGW-UHFFFAOYSA-N 466.586 2.046 30 10 JEEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCC(CC(=O)N2CCN(CC)CC2)CC1 1507755149 CAHRQZVZDYXGJA-UHFFFAOYSA-N 495.697 2.401 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCN(CCOC)CC2)nnc1[C@]1(OC(C)C)CCOC1 1507811237 OWNRGCUMBWXRNV-DPLHUUCSSA-N 463.623 2.068 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)Nc2ccccn2)n1C[C@]1(C)CN(C)C1=O 1507997267 QFIHRLKPUYXBCB-VWLOTQADSA-N 470.537 2.468 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCCC[C@@H](SC)C1 1508075710 ZJJSWKHDRCETOW-GOSISDBHSA-N 492.671 2.220 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1508135857 NKXPDGIKMZTTBG-AWEZNQCLSA-N 461.009 2.069 30 10 JEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N(C)Cc1nc(C(F)(F)F)cs1 1508142824 HCQSFHYBTXBYEK-UHFFFAOYSA-N 492.549 2.113 30 10 JEEE CC(C)C[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1)N(C)C 1509103670 ICRJWKWBQZWNGJ-NRFANRHFSA-N 479.633 2.084 30 10 JEEE CCOCc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CC1([S@](C)=O)CC1 1516566083 GEHZKDFUPZUAFF-YTTGMZPUSA-N 456.616 2.310 30 10 JEEE CS(=O)(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOc2ccc(Cl)cn2)CC1 1519529333 AIYNCAGZSZIOFP-UHFFFAOYSA-N 487.973 2.026 30 10 JEEE CS(=O)(=O)N1CCO[C@H](c2nnc(N(CCC#N)CC3CC3)n2Cc2ccccc2Cl)C1 1519545239 BGBMYOWDLJDGTM-IBGZPJMESA-N 479.006 2.443 30 10 JEEE C=CCc1ccc(OCC(=O)N2CCO[C@@H](CN3C(=O)c4ccccc4C3=O)C2)c(OC)c1 1534225711 YVTOTUDRKAGIHW-GOSISDBHSA-N 450.491 2.326 30 10 JEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCNC(=O)OC(C)(C)C 1539178634 JDWFWWKASWUVFI-MRXNPFEDSA-N 464.567 2.181 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1CC1(C)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1539229960 JQNNGCXXUCSRAC-GOSISDBHSA-N 476.574 2.440 30 10 JEEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(CN2CCCC2=O)cc1 1539237715 JCDUYALLHDNOFM-AREMUKBSSA-N 461.566 2.174 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(OC)cc(OC)c2)n1CC1(S(C)(=O)=O)CCCC1 1539246945 ZQOFGGZTWVVVEB-UHFFFAOYSA-N 456.568 2.393 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@H]1CCOC[C@@H]1OC 1539301559 QIAUGASNXPCWHY-AVRDEDQJSA-N 468.554 2.485 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CCC2(COC)CCC2)CC1 1539484175 FSOACGFWPHCPSB-UHFFFAOYSA-N 450.587 2.437 30 10 JEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN([C@@H](C)c2nc(C(C)C)no2)CC1 1539490492 DDQZLNLNTONSMD-KRWDZBQOSA-N 474.635 2.172 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(=O)N1CCOCC1 1539556958 XFZMFICMOPZZRI-KBMIEXCESA-N 486.617 2.244 30 10 JEEE C=CC1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2ncn(C)n2)CC1 1539890886 VEYCZTCSRJQDGG-QGZVFWFLSA-N 458.567 2.166 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCSC2(CCCCC2)C1 1540897726 QLECODNIQJEQDE-UHFFFAOYSA-N 455.650 2.273 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1540899125 DUWOTYHLUOREHU-QHCPKHFHSA-N 486.686 2.325 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCOC(C)(C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1540908888 QIJXRPKENIXEDU-CALCHBBNSA-N 483.635 2.265 30 10 JEEE Cc1ccc(C)c(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCNC(=O)c2ccco2)c1 1542284336 GEVKMHURLNZHOT-GOSISDBHSA-N 450.499 2.226 30 10 JEEE CCCN1CCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](C(N)=O)C1 1547211696 GNHFGCZMLPBYKZ-PMACEKPBSA-N 451.575 2.305 30 10 JEEE COCCOC[C@@H]1CN(C(=O)CNC(C)=O)CC12CCN(c1ccc(C#N)c(C(F)(F)F)c1)CC2 1548406892 VTAVUEDPIDPHGJ-IBGZPJMESA-N 496.530 2.421 30 10 JEEE CNC(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1554469551 BHHALBWDXQFULX-GOSISDBHSA-N 474.569 2.057 30 10 JEEE C#CCN(C)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1CCN1CCN(C(C)=O)CC1 1587915064 BWULUVXZSATADA-IBGZPJMESA-N 454.575 2.050 30 10 JEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CC(=O)NCc1ccco1)[C@@H]1CCS(=O)(=O)C1 1588035582 VRGWOKVUJDQHRY-GOSISDBHSA-N 487.969 2.135 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H](CC)OC)[C@@H]1CCS(=O)(=O)C1 1588040202 JIOLRSSNLOQHSI-IAGOWNOFSA-N 462.572 2.014 30 10 JEEE C=CC[C@@]1(C(=O)NCCCN2CCN(c3ncccn3)CC2)CCCN1C(=O)OC(C)(C)C 1588049751 GJPVPTUPYTXKPW-DEOSSOPVSA-N 458.607 2.451 30 10 JEEE C#CCN(c1nnc(CCOc2ccccc2)n1CC[C@@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1588069062 GLHXIWBOHOQPKX-UNMCSNQZSA-N 472.611 2.486 30 10 JEEE C#CCSCCn1c(COc2cc(C)ccc2C)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1589110240 RQQYSKHIIWLDMX-UHFFFAOYSA-N 482.610 2.361 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccccc1OC 1589663576 OUPWOXNRNUSLKP-HXUWFJFHSA-N 463.604 2.265 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(CCN2[C@@H](C)CC[C@@H]2C)CC1 1595501190 NKEJZDQAZAZAFI-OALUTQOASA-N 455.607 2.144 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cnn(CC(C)C)c2C)C1 1595721422 FZUBPHUTSCKEHF-ICSRJNTNSA-N 462.620 2.171 30 10 JEEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]2c2cccs2)CC1 1615208855 IWHTVTBZGXYGGU-DHIUTWEWSA-N 464.635 2.247 30 10 JEEE CCOC(=O)c1c(NC(=O)NCC(=O)N2CCCc3ccccc32)c(C#N)cn1CCOC 1660529883 AVRGMZSDHRUPIX-UHFFFAOYSA-N 453.499 2.284 30 10 JEEE C=CCN(C(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1)[C@H]1CCS(=O)(=O)C1 1669568824 LJAOBGMWYPISKF-AWEZNQCLSA-N 456.571 2.151 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCc1cc(C(F)(F)F)ccn1)[C@@H]1CCS(=O)(=O)C1 1689991169 XLDLWKOWUCLCEF-VQIMIIECSA-N 497.543 2.455 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CCc1ccc(OC)c(F)c1)[C@H]1CCS(=O)(=O)C1 1689994235 USKQJRSOJHFJBX-FQEVSTJZSA-N 483.569 2.281 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1N(C)CCCC1(C)C 1690098215 ZUAWWMGIQVPKMT-OAQYLSRUSA-N 463.590 2.127 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](C)Oc2ccc(C)cc2)CC1 1690134732 CVNCNPSNBFRQJP-LJQANCHMSA-N 466.586 2.158 30 10 JEEE C#CCN1CCN(c2nnc(CSc3ccccc3OC)n2C[C@@H]2CCOC[C@@H]2OC)CC1 1690135426 WNSMKTDHGNEPOE-FPOVZHCZSA-N 471.627 2.386 30 10 JEEE C=C(C)Cn1c(N2CCN(CC(=O)N3CCCC[C@H]3C)CC2)nnc1[C@]1(OC(C)C)CCOC1 1690297814 HNHQFUFSYHDMAB-BWKNWUBXSA-N 474.650 2.418 30 10 JEEE C=C(Cl)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1690347556 IVAADAHOBOUZAO-UHFFFAOYSA-N 466.920 2.474 30 10 JEEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1690473644 BUDGNKJVVBDVOG-KRWDZBQOSA-N 481.644 2.080 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCN(c2nc(C)cs2)CC1 1690668246 XZQDELNXQMCYGV-UHFFFAOYSA-N 453.572 2.347 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CN(CC(C)C)CCO2)C1 1690684975 SOYDQDKCIWLPGV-WOJBJXKFSA-N 469.590 2.064 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@@H]1CC1(C)C 1692793381 GUVIDBHZTSOKEM-AEFFLSMTSA-N 457.604 2.133 30 10 JEEE CCN(CC)[C@@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NC(=O)COC)CC1 1695604701 AHZCNNBCHMKNPL-SFHVURJKSA-N 453.591 2.278 30 10 JEEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCCN2CC)C1 1695944864 BGGOSGFVDWNJPZ-RTWAWAEBSA-N 471.631 2.209 30 10 JEEE COC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1)OC 1697756748 GMYYIPYISPALBT-PMACEKPBSA-N 486.573 2.208 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1CCNS(=O)(=O)Cc1ccon1 1705484724 VAHSZXAPQFPPPD-CQSZACIVSA-N 478.962 2.173 30 10 JEEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1705522453 GAOWAKVQYKAXBD-ULQDDVLXSA-N 457.497 2.310 30 10 JEEE C#CCN(CC#CC)c1nnc(COc2ccccc2CC)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1705602523 YOCJHIZKHUTQPG-HXUWFJFHSA-N 469.611 2.164 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CSc3ccc(C)cc3)n2CC(=O)NCC2CC2)CC1 1705653017 WJGZFDQHXSITMQ-UHFFFAOYSA-N 480.638 2.371 30 10 JEEE C=CCN(c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)NCC(F)F)C1CC1 1705855032 UPMKITNKFXSROM-HNNXBMFYSA-N 470.521 2.123 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2COc3ccccc3O2)n1CCN/C(O)=C1\N=CC=CC1=O 1705875808 GUNJMLXHVWEWHU-SSRRSSPNSA-N 462.510 2.495 30 10 JEEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1705907614 RSPOFBIIDDUXPO-LJQANCHMSA-N 468.602 2.333 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(Cc1ccc(F)cc1)C1CC1 1705936189 LKMAIZUNCFJMEC-KRWDZBQOSA-N 482.603 2.089 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCC(OC(C)(C)C)CC2)nnc1[C@@]1(OCC)CCOC1 1705939534 ZEBUIFXVMDTVMK-JOCHJYFZSA-N 470.636 2.315 30 10 JEEE CC(C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1706201907 DPOYASMXXITZSA-UHFFFAOYSA-N 465.602 2.112 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@@H](c1ccco1)N(C)C)[C@H]1CCS(=O)(=O)C1 1722359335 LPVGKNBGXKVKDY-FPOVZHCZSA-N 483.594 2.476 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2CCc2c(OC)cc(OC)cc2OC)CC1 1722441540 SEZPJHRFGHYIDU-HXUWFJFHSA-N 455.559 2.153 30 10 JEEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1722480279 OWUMEANADZPZCX-HOTGVXAUSA-N 491.394 2.287 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(C)(C)C)CC1 1722587890 DGAZIIPGZACMKH-SFHVURJKSA-N 468.668 2.134 30 10 JEEE C=CCCCCCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@]1(O)CCN(C)C1 1722594802 DXWLHZQVXKKMNF-VWLOTQADSA-N 465.602 2.441 30 10 JEEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(NC(=O)CCC)CC1 1722683328 NRPJCIGFERNWPA-UHFFFAOYSA-N 460.604 2.267 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](OC(C)(C)C)C1 1722693077 CQWLAXBZRBTTEJ-SFHVURJKSA-N 475.615 2.435 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCO[C@@H](C)C1 1722728325 PUIPCGZSFRXPRQ-KRWDZBQOSA-N 483.635 2.219 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccccc1Br 1722728689 XAUFJRIMMBAJIH-INIZCTEOSA-N 482.404 2.229 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCC[C@@H]2c2ccco2)nnc1[C@@]1(OCC)CCOC1 1722731265 IQRMDPHWIYEDIZ-DYESRHJHSA-N 450.561 2.466 30 10 JEEE Cc1nn(C)c(N2CCN(c3nnc(CC4CCCC4)n3CCCC(=O)N(C)C)CC2)c1C#N 1725866863 GPOXEOSCNYSDEJ-UHFFFAOYSA-N 467.622 2.119 30 10 JEEE CC[C@@H](C)NC(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@@](F)(C#N)C1 1727094318 CROXNHRFSVWAQC-JLCFBVMHSA-N 452.494 2.341 30 10 JEEE CCN(CC)[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1)c1ccco1 1728373797 GJUGPMWKWSZUGY-WMZOPIPTSA-N 463.608 2.304 30 10 JEEE CCN1CCN([C@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCc2cnccn2)CC1 1728601519 GMLDPQSUTUJALR-HXUWFJFHSA-N 459.602 2.312 30 10 JEEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2cc(OC)cc(OC)c2)CC1 1740579369 NOBBLOOZTKKWPL-UHFFFAOYSA-N 466.586 2.267 30 10 JEEE C#CCN(c1nnc(-c2cnn(-c3ccccc3)c2)n1CCCOC(F)F)[C@@H]1CCS(=O)(=O)C1 1740620683 HASLBJUWUNSCTB-LJQANCHMSA-N 490.536 2.387 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCc1cc(C)ccc1OC)[C@H]1CCS(=O)(=O)C1 1740623844 BQKVWEYWAAFZTE-QFIPXVFZSA-N 496.637 2.326 30 10 JEEE C#CCN(c1nnc(CSc2ccc(Cl)cc2)n1C[C@@]1(O)CCOC1)[C@H]1CCS(=O)(=O)C1 1740628763 SWASQWHYSPYBIN-UWJYYQICSA-N 497.042 2.002 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC1(O)CCS(=O)(=O)CC1 1740681886 FKWLJKJHIZFKEU-UHFFFAOYSA-N 474.627 2.268 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@H](C)N2CCN(CC)CC2)CC1 1740690881 PLQMUEPPLVRXTR-YADHBBJMSA-N 483.636 2.338 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccc(N(C)C)c(F)c2)CC1 1740700720 FSLGZGUTDPILIF-UHFFFAOYSA-N 497.619 2.416 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1740975599 PRXHJQQWMVWZBE-KSHDEOPHSA-N 459.510 2.124 30 10 JEEE CC(=O)N(C)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCC(=O)N(C)C)CC1 1741012421 GFZYBTACTQNKLX-UHFFFAOYSA-N 467.574 2.044 30 10 JEEE CCN(CC)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC[C@@H](O)C2)CC1 1746047439 HCPDVRPXRUGJRV-JTHBVZDNSA-N 479.629 2.358 30 10 JEEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1748703085 IHJSCIJGLQOCAU-FQEVSTJZSA-N 493.655 2.012 30 10 JEEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1cccc(OCC(C)C)c1)[C@@H]1CCS(=O)(=O)C1 1748821421 QHCFOHKRFJKNPT-OAQYLSRUSA-N 499.637 2.110 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCO[C@H](C)C1 1748831586 QPVIQAWLGHPYCI-RTBURBONSA-N 455.584 2.083 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@H]2CCCn3cc(C)nc32)CC1 1749005234 SVRYVQUKOHYXKZ-TZIWHRDSSA-N 483.617 2.050 30 10 JEEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(C(=O)OC)CC1 1749024564 VGYLBXIQBIEFCZ-UHFFFAOYSA-N 462.597 2.104 30 10 JEEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1749044859 VTGCZMPBRUONGL-GOSISDBHSA-N 484.655 2.398 30 10 JEEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1749115241 ODFIOMQQWBGULR-XWSJACJDSA-N 484.439 2.458 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC2(CCN(Cc3ccccc3)C2)CC1 1749649853 CSPPNZXDFALKFW-UHFFFAOYSA-N 479.629 2.211 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN([C@H](C)c2nc(CC)no2)CC1 1749677202 RCANNCIVLCFPCA-MRXNPFEDSA-N 470.603 2.061 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2ccc(F)cc2C)C1 1749696739 DEXAFALIYATYHN-APWZRJJASA-N 451.568 2.360 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCCNS(C)(=O)=O)C1 1749718016 AASMPKWRZANNCW-MSOLQXFVSA-N 498.650 2.071 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCc3c(F)cc(F)cc3C2)nnc1[C@@]1(OCC)CCOC1 1749740782 YWZGIZIWGHVQRS-JOCHJYFZSA-N 482.553 2.372 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccnc(OC2CCCC2)c1 1750059613 AYSGFWHQSGDYJE-CVEARBPZSA-N 461.592 2.249 30 10 JEEE CC(C)(C)S(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@](F)(C#N)C1 1750517803 DHSKFRABJFEMCV-NRFANRHFSA-N 463.535 2.372 30 10 JEEE CC(C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(CN2CCOCC2)CC1 1750568787 DFWKDFJLHJMJGX-UHFFFAOYSA-N 465.602 2.138 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@@]2(O)CCSC2)CC1 1760267402 KMUHZSGZWZMUKJ-QHCPKHFHSA-N 490.029 2.441 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)c1c(C)noc1C 1760295018 LPOKFKSJNOBJMR-FXCLAUTBSA-N 476.603 2.012 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCO[C@H]1C(C)(C)C 1760295347 RSSCOUJIZSAPAE-PWSZPPJVSA-N 493.674 2.444 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H](C)CC(N)=O 1760322328 QZMPXJIAJRCZRP-XSYGEPLQSA-N 492.621 2.268 30 10 JEEE C=C(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1760346086 HVGXFFQYNLVYPN-FQEVSTJZSA-N 489.646 2.058 30 10 JEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CCc2cccs2)CC1 1760440667 OEOCBIQLDVNILQ-FQEVSTJZSA-N 494.687 2.003 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC(CCN2CCCC[C@@H]2C)CC1 1760514483 HFBMFPYLZGMRQW-IBGZPJMESA-N 459.639 2.199 30 10 JEEE COc1ccccc1Cc1nnc(N2CC[C@@](F)(C#N)C2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1768919389 BSFMYOPPRPCYNT-NBGIEHNGSA-N 483.592 2.262 30 10 JEEE C[C@](C#N)(NS(=O)(=O)CCN1C(=O)c2ccccc2C1=O)c1ccc(Br)cc1 1858041880 HWKWIPBJSJEETM-LJQANCHMSA-N 462.325 2.403 30 10 JEEE C#CCOC(=O)NS(=O)(=O)c1ccc(CNC(=O)/C=C/c2ccc(OCC)c(OC)c2)cc1 1858965512 VFBGNMNVNFQBJK-UKTHLTGXSA-N 472.519 2.472 30 10 JEEE C=CCOc1ccccc1[C@@H]1C(C(=O)N(C)Cc2ccccc2)=C(N)Oc2c1c(=O)n(C)c(=O)n2C 1865728747 IMJBWZOBYPCRNW-HXUWFJFHSA-N 488.544 2.002 30 10 JEEE CCCC[C@@H](NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(=O)N1CCC(C(N)=O)CC1 1868794255 ALMHWCSLOBUITR-WOJBJXKFSA-N 473.643 2.424 30 10 JEEE C=CCOc1cn(CCCN2CCOCC2)c(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1=O 1870384993 CAQKJHPSUHQJMR-UHFFFAOYSA-N 497.596 2.366 30 10 JEEE C=CCn1cc(OCC(=O)NCc2ccc(OC)cc2)c(=O)cc1CN1C[C@H](C)O[C@H](C)C1 1870648244 OLNMWYVGRGSJKA-KDURUIRLSA-N 455.555 2.347 30 10 JEEE COc1ccc(/C=N/n2c(CNC(C)=O)nnc2SCC(=O)Nc2ccc(F)cc2)cc1O 1874431915 FEMBQTKPHSKDML-YSURURNPSA-N 472.502 2.381 30 10 JEEE CCN1CCN(CC#CCOC2CCN(C(=O)c3c(C)oc(=O)c4ccccc34)CC2)CC1 1890323158 OSMHUDZNCCOJQI-UHFFFAOYSA-N 451.567 2.364 30 10 JEEE CC(C)N1C(=O)CS[C@H](C(=O)NCC2CCN(C(=O)N(C)C)CC2)[C@@H]1c1ccc(C#N)cc1 1890799074 LYNYWKKRBQPQCU-VXKWHMMOSA-N 471.627 2.462 30 10 JEEE CC(C)(C)OC(=O)NCC(CNC(=O)OC(C)(C)C)NS(=O)(=O)Cc1ccccc1C#N 2054407080 BLCPYHTWHUZTPD-UHFFFAOYSA-N 468.576 2.396 30 10 JEEE CCOc1cccc(-c2cn([C@@H]3CCCN(C(=O)C[C@H]4S/C(=N\C)N(C)C4=O)C3)nn2)c1 2087926112 DZWLFILRQUVJHC-BSIWUYSSSA-N 456.572 2.457 30 10 JEEE Cn1cc([C@@H](NC(=O)OC(C)(C)C)C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)c2)nn1 2180970366 MLPLVUASUGIWJQ-QGZVFWFLSA-N 457.340 2.319 30 10 JEEE CC1(C)OB(c2c[nH]c(C(=O)N3C[C@H]4C[C@H]3[C@@H]4NC(=O)OCc3ccccc3)c2)OC1(C)C 2247864720 KEEZWXSYRRSFSY-LSTHTHJFSA-N 451.332 2.453 30 10 JEEE Cn1cc(C(=O)N[C@@]2(C)CCN(C(=O)OCc3ccccc3)C2)nc1B1OC(C)(C)C(C)(C)O1 2255816629 IRQZMFBTIKRMLX-DEOSSOPVSA-N 468.363 2.250 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](CO)[C@@H](NC(=O)c2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2267241302 HFAONHGLYOXUAJ-HOCLYGCPSA-N 466.409 2.395 30 10 JEEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)c(F)c2)CC1 2267351747 DDDZBLRAPNPHIC-UHFFFAOYSA-N 470.372 2.366 30 10 JEEE Cn1ncc(C(=O)NC2CC3(C2)C[C@@H]3NC(=O)OCc2ccccc2)c1B1OC(C)(C)C(C)(C)O1 2267493479 JBYHQCWCANSENQ-HTHJYTGDSA-N 480.374 2.297 30 10 JEEE C=C(CCNC(=O)OC(C)(C)C)CNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2267705950 OSAFDMIRZHENFP-UHFFFAOYSA-N 487.453 2.333 30 10 JEEE CC(C)(C)OC(=O)NC[C@H](O)CCC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2268643200 JSQIZENIXSGFEP-CQSZACIVSA-N 453.320 2.124 30 10 JEEE CC(C)(C)OC(=O)N[C@@]1(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C[C@@H](O)C1(C)C 2268706455 ORHSFRANSCPYBI-XUSGNXJCSA-N 467.397 2.435 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1COC[C@@H]1NC(=O)c1c(F)cccc1B1OC(C)(C)C(C)(C)O1 2281786142 DFJCHXCAVKVJBA-YOEHRIQHSA-N 464.343 2.394 30 10 JEEE Cn1ncc(C(=O)Nc2nc(CCNC(=O)OC(C)(C)C)cs2)c1B1OC(C)(C)C(C)(C)O1 2281811614 GZHLMQKKMWMZFZ-UHFFFAOYSA-N 477.396 2.495 30 10 JEEE CC(C)(C)OC(=O)NC[C@@]12CCC[C@@H]1CN(C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C2 2281930660 OBUWCRVKHCLHJK-IQMFZBJNSA-N 460.384 2.476 30 10 JEEE CCc1nc(C(=O)N2C[C@H](O)C[C@@H]2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2282143700 YJXOZGSHZWHLOV-ZIAGYGMSSA-N 481.424 2.105 30 10 JEEE CC(C)(C)OC(=O)N1CCCO[C@@H](CNC(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282181842 LSPDCTMCFRXHRC-SFHVURJKSA-N 461.368 2.137 30 10 JEEE C[C@H]1CN(S(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C[C@@H]1CNC(=O)OC(C)(C)C 2282351436 AJFVAYIPJLATRX-HOTGVXAUSA-N 481.424 2.162 30 10 JEEE CCn1cc(C(=O)N(C)C2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)nc1B1OC(C)(C)C(C)(C)O1 2282546422 ZSZMDRYJCDPWMM-HUUCEWRRSA-N 460.384 2.140 30 10 JEEE Cn1cc(C(=O)N2CC[C@]23C[C@@H](CNC(=O)OC(C)(C)C)C3)nc1B1OC(C)(C)C(C)(C)O1 2282553931 WGQFIKIEGJGASJ-CWSKOGRWSA-N 460.384 2.239 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2C[C@@H]3[C@H]2CCN3C(=O)OC(C)(C)C)n1 2282589343 MNQSFDRNVZFEQN-USXIJHARSA-N 460.384 2.330 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)[C@@H]2CC[C@H]21 2282612848 ICQIYIWFUQVZAF-YESZJQIVSA-N 458.368 2.294 30 10 JEEE C[C@@H](CNC(=O)c1ccoc1B1OC(C)(C)C(C)(C)O1)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 2282627011 KIVBIVAAFWIVPQ-WNSKOXEYSA-N 464.368 2.317 30 10 JEEE Cc1ccc(C(=O)N[C@@]2(CO)CCN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2282664536 DPWKDOYXUNSVMN-DEOSSOPVSA-N 460.380 2.396 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](CC(=O)N=c2ccc(Cl)c(B3OC(C)(C)C(C)(C)O3)[nH]2)[C@@H](O)C1 2283930880 BBWUHIYLWXESOH-ZFWWWQNUSA-N 481.786 2.013 30 10 JEEE CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2283949310 XPCIGEBSISTJEL-MRXNPFEDSA-N 464.347 2.010 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CCC(N)=O)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2284038672 HGJAVOUCNMFTBX-INIZCTEOSA-N 465.331 2.222 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@@H](C(=O)N3CCC(=CB4OC(C)(C)C(C)(C)O4)C3)O[C@H]2C1 2284118408 KDKKRHIXQWZPTF-BZSNNMDCSA-N 464.368 2.180 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@@]2(C(=O)NCc3ncc(B4OC(C)(C)C(C)(C)O4)s3)CO[C@H]1C2 2284133446 QUWCPAUFCBVHDI-OKHZJLECSA-N 479.408 2.131 30 10 JEEE CC1(C)OB(c2ccccc2S(=O)(=O)N[C@@H](COCc2ccccc2)CC(=O)O)OC1(C)C 2284412317 USKNOOLINDVTJZ-GOSISDBHSA-N 475.372 2.324 30 10 JEEE Cc1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H]1COC[C@H]1NC(=O)OC(C)(C)C 2285965208 JDVCZJJSFKNDCZ-ZWKOTPCHSA-N 464.343 2.455 30 10 JEEE CC(C)(C)N1C[C@H](c2nnc(SCC(N)=O)n2N=Cc2cc(Cl)ccc2O)CC1=O 2327842800 OEWAJOAZUHFONN-GFCCVEGCSA-N 450.952 2.211 30 10 JEEE CC(C)(C)N1C[C@H](c2nnc(SCCCO)n2N=Cc2ccc(O)c([N+](=O)[O-])c2)CC1=O 2327889246 AWFAJWAYDZTFPE-CQSZACIVSA-N 462.532 2.363 30 10 JEEE CCCNC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1N=Cc1ccccc1C(=O)O 2329011950 YIYLNXPOWPZWRP-INIZCTEOSA-N 472.571 2.201 30 10 JEEE CO[C@H](CNC(=O)OC(C)(C)C)CNC(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1F 2339942195 JEPKATGOLVPBMU-AWEZNQCLSA-N 452.332 2.394 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@]12CC[C@@H](CN(C(=O)OC(C)(C)C)C1)C2 2362349551 HKDINMPMOKYBQY-IQMFZBJNSA-N 460.384 2.239 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C1 2362351598 HOFVPWIOATYZEZ-HZPDHXFCSA-N 460.384 2.048 30 10 JEEE CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)OC(=O)CCN1C(=O)c2ccc(Br)cc2C1=O 11075459 JOLDXCJQNFRDHN-MPBGBICISA-N 464.316 2.421 30 10 JEEE Cc1nn(CCO)c(C)c1/C=N/Nc1nnc(SCc2cccc(Br)c2)n1N 59914430 MIFXCMYYAIJSNK-AWQFTUOYSA-N 465.381 2.298 30 10 JEEE CCOC(=O)c1ccc(NC(=O)CN2C(=O)/C(=N\NC(N)=S)c3cc(Cl)ccc32)cc1 72414975 UVYSHVHDUUVVMH-ULJHMMPZSA-N 459.915 2.039 30 10 JEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2ccc(I)c(F)c2)CC1 409510614 CAQCSEIGHPZCHO-UHFFFAOYSA-N 499.305 2.449 30 10 JEEE C#CCN(C(=O)c1ccc(I)c(Br)c1)[C@@H]1CCS(=O)(=O)C1 729334521 RRPZKPDJLYWFBR-LLVKDONJSA-N 482.137 2.316 30 10 JEEE N#Cc1ccc(CNC(=O)c2ccc(Br)c(S(=O)(=O)N3CCOCC3)c2)c(F)c1 729836029 PEJYIVCXSIAPED-UHFFFAOYSA-N 482.331 2.411 30 10 JEEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)CCC(=O)Nc1ccc2c(n1)n(C)c(=O)n2C 1161311994 TUHFZTWDCBBAND-UHFFFAOYSA-N 453.547 2.373 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CCCC3)n2CC2(C(N)=O)CCOCC2)c1 1286311071 JPEWYAVJGJRUTE-UHFFFAOYSA-N 464.570 2.274 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCN1CCOC[C@@H]1C 1286418612 MQYJJXXMGQTPCP-IBGZPJMESA-N 467.570 2.155 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccc(Cl)c2C)CC1 1286490712 PRZSQAFNQLJZDJ-LJQANCHMSA-N 454.962 2.205 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCN2C[C@H](C)O[C@@H](C)C2)CC1 1286663170 HUFXTPGDSZHPCG-CMKODMSKSA-N 451.637 2.082 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H]1CCCO[C@@H]1c1ccccc1 1286787894 LIXUMXABRNYGEG-TUNNFDKTSA-N 487.626 2.087 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC(NC(=O)Nc3ccccc3)CC2)nnc1[C@]1(OCC)CCOC1 1286792866 KJJDEQVZAOVKTR-VWLOTQADSA-N 497.600 2.023 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC(NC(=O)OC(C)(C)C)CC2)nnc1[C@]1(OC(C)C)CCOC1 1286793526 YJKZHAWMSHHZOQ-DEOSSOPVSA-N 492.621 2.114 30 10 JEEE C=CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1286831355 ZJTALKKKSWIXLO-HOTGVXAUSA-N 490.655 2.369 30 10 JEEE C[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1)N(C)C 1288651020 CXDZGOXVRKNXJS-UTKZUKDTSA-N 454.600 2.296 30 10 JEEE Cc1ccccc1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCC#N)CC1CC1 1290181694 GPPCFNRSFZNEIT-NRFANRHFSA-N 472.615 2.292 30 10 JEEE C#CCN(CC#C)C(=O)c1ccc(OC)c(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2OC)c1 1293836320 ACKYRLHNJYDTEV-UHFFFAOYSA-N 457.464 2.121 30 10 JEEE C#CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1300407609 BJFZOZQWYISNEV-OALUTQOASA-N 494.662 2.324 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1CC1(N2CCOCC2)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1300479243 KBIAKPYPYXAVJH-HXUWFJFHSA-N 477.675 2.237 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCc1ncc(CC)s1)[C@@H]1CCS(=O)(=O)C1 1300495417 HHPXCPZTDUFGJR-SJLPKXTDSA-N 463.629 2.408 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@]1(O)CCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1300505125 XXOMGBVINSVXAH-YOSAUDMPSA-N 472.611 2.343 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(=O)NCC1CC1 1300581229 PRKNFYCNDHDNLX-HXUWFJFHSA-N 468.602 2.382 30 10 JEEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1300862624 BHIMPAQGXPDWGP-JKSUJKDBSA-N 455.401 2.075 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1ccccc1[N+](=O)[O-])C1CC1 1300952408 UKAMCZBLVNZSKH-IBGZPJMESA-N 476.559 2.264 30 10 JEEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1300972150 GZVSJQBRRVTJFX-UHFFFAOYSA-N 458.538 2.111 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 1300991114 PLCBRRHNHKJHJK-QGZVFWFLSA-N 461.544 2.244 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CCC(N(C)C(C)=O)CC1 1301491222 GBGWBVIHYPYHMV-UHFFFAOYSA-N 475.391 2.457 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCC[C@](C)(C#N)C1 1301497162 QEVYIILHLJSNPE-RUZDIDTESA-N 474.569 2.497 30 10 JEEE CCc1nn(C)c(OC)c1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C(=O)NC)CC1 1306050924 GHCHBDMPQAUTSF-UHFFFAOYSA-N 492.584 2.044 30 10 JEEE CCNC(=O)C(C)(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@](F)(C#N)C1 1313970844 GVBUJVMDDCNOEY-QFIPXVFZSA-N 452.494 2.198 30 10 JEEE CN(CCn1c(-c2cccnc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1)CC(F)(F)F 1314862556 HUYWYOHHADKJES-UHFFFAOYSA-N 471.491 2.427 30 10 JEEE C=C(C)Cn1c(SCC(=O)N2CCCC[C@@H]2CNS(C)(=O)=O)nnc1-c1ccco1 1357890340 QIWFOZNRWKMPAI-OAHLLOKOSA-N 453.590 2.137 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@]1(N2CCOCC2)CCSC1 1358877524 GHSWUIWQPHYDGF-MBSDFSHPSA-N 489.667 2.014 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCNS(=O)(=O)CC 1358970601 SQYQCIULIYNYOY-UHFFFAOYSA-N 464.595 2.365 30 10 JEEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCc1nccs1 1358981551 OKJRNRXFAQYQHJ-UHFFFAOYSA-N 459.623 2.415 30 10 JEEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1CCNC(=O)c1cccs1 1358996175 VAVSVSAVLOVQFL-UHFFFAOYSA-N 457.563 2.471 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1nnc2n1CCCCC2 1359018656 YBIIPXVJSJLRFC-UHFFFAOYSA-N 497.003 2.314 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN(C)C1CCCCC1 1359113635 MWEQVAFTCODBDR-FQEVSTJZSA-N 468.668 2.278 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCc2nc(O)c(C#N)cc2C1 1359293303 MNNSMSLXNCFNTB-OAHLLOKOSA-N 477.500 2.394 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCN(CC(C)C)C(=O)C2)cc1 1359306518 JFTLJPNXLWXCGG-UHFFFAOYSA-N 466.586 2.432 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2CCOC[C@@H]2OC)C1 1359315527 WLJIYIMYTHJDSF-ZVDOUQERSA-N 476.599 2.181 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2N(C)CCCC2(C)C)C1 1359322455 VXZOFSHMNQEYKD-QRVBRYPASA-N 451.637 2.082 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1359331576 CWKZQWBORUMNTA-LJQANCHMSA-N 478.619 2.048 30 10 JEEE CC(=O)NC[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@](C)(O)C(C)C)C1 1359438552 COIIASLBPBIZLP-RDPSFJRHSA-N 454.575 2.488 30 10 JEEE Cc1ccc(C)c(OCc2nnc(N(C)C[C@H](C)C#N)n2CCS(=O)(=O)N2CCSCC2)c1 1361145698 GOUNGNGEIGPXHF-GOSISDBHSA-N 492.671 2.448 30 10 JEEE COc1ccccc1N1C[C@@H](C(=O)Nn2c(C)c(Br)c(C)c(C#N)c2=O)CC1=O 1457778213 HTFQSSNDZAPRMB-ZDUSSCGKSA-N 459.300 2.231 30 10 JEEE C=CCN(CC(=O)OCC)S(=O)(=O)c1cc(Cl)c(OCC(=O)N(C)C)c(Cl)c1 1474892038 NZAOYXCQZDNKOL-UHFFFAOYSA-N 453.344 2.200 30 10 JEEE CCS(=O)(=O)N(C)CCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@](F)(C#N)C1 1503269904 HDADURKZNLWVQR-LZJOCLMNSA-N 470.615 2.310 30 10 JEEE C#CCCCCn1c(-c2nnc(O)c3ccccc23)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1507560199 FANOMFMJHIBQMB-KRWDZBQOSA-N 464.551 2.024 30 10 JEEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN([C@@H](C)c2nc(C(C)C)no2)CC1 1507593420 OPUXWOGYFPPCGT-SFHVURJKSA-N 454.579 2.204 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H]1CCCCC(F)(F)C1)[C@H]1CCS(=O)(=O)C1 1507622707 KZKNXESPLKWJNK-IRXDYDNUSA-N 471.574 2.259 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1507643336 LMOUHCYERBIYOP-UWJYYQICSA-N 458.360 2.457 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC[C@@H]1COCCO1 1507650330 IAUYHYKKSOQUST-VQTJNVASSA-N 457.575 2.271 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CCN1CCc2ccccc2C1 1507658161 DXHMJLOJULHCEU-UHFFFAOYSA-N 453.550 2.447 30 10 JEEE C#CCN(CC#CC)c1nnc(COc2ccc(C)cc2)n1CCS(=O)(=O)N1CCSCC1 1507676145 KDVDTKHTZCHAGF-UHFFFAOYSA-N 487.651 2.007 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(OC)c(OC(F)F)c1 1507688907 FIJDZCZEUOKBOZ-MRXNPFEDSA-N 468.526 2.492 30 10 JEEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1507749581 ZYDGUKVWJSFMRN-UHFFFAOYSA-N 498.653 2.073 30 10 JEEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1507846111 CMUSXCCQDIZNER-QFIPXVFZSA-N 481.645 2.380 30 10 JEEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 1507962067 MFPARHJQIWSPLE-UHFFFAOYSA-N 465.533 2.358 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(c2nccnc2C)CC1 1508072735 GHTKIESUPSZWLH-UHFFFAOYSA-N 452.950 2.326 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@@H]1C[C@@H](OCC)C1(C)C 1508088685 URLRKALVZRFBAR-RTBURBONSA-N 479.585 2.134 30 10 JEEE Cc1nsc(N2CCN(C(=O)c3ccccc3S(=O)(=O)N3CCCCC3)CC2)c1C#N 1527234229 DUZCYVFCMKLZGS-UHFFFAOYSA-N 459.597 2.460 30 10 JEEE Cc1ccc(C)c(S(=O)(=O)C2(C(=O)Nc3[nH]nc(N4CCOCC4)c3C#N)CCCC2)c1 1532112568 DFESWEFAEIRZMP-UHFFFAOYSA-N 457.556 2.460 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCc1csc(C(C)(C)C)n1)[C@@H]1CCS(=O)(=O)C1 1539203529 RPZLKJGYSGAOSY-QGZVFWFLSA-N 492.671 2.040 30 10 JEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@@](O)(c1ccccc1)C(F)(F)F 1539331400 OGTPSLQFFCWBSG-JOCHJYFZSA-N 459.472 2.314 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3)n2CC2CCS(=O)(=O)CC2)CC1 1539437645 GMDZDOAILQXJJC-UHFFFAOYSA-N 492.443 2.288 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1539470413 ORWGCBKBXJLDBR-CJAUYULYSA-N 451.571 2.013 30 10 JEEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCC(C(=O)NCCCOC)CC1 1539595814 GGFNPNHGBOPUEI-KRWDZBQOSA-N 470.412 2.450 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(F)c1 1539631235 KKJLETULQCUGLO-GIVPXCGWSA-N 493.605 2.368 30 10 JEEE C=C(Cn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)NCCOC)CC1)c1ccccc1 1539764877 AWWCQMZMAPYCDD-UHFFFAOYSA-N 454.575 2.109 30 10 JEEE C=C(Cl)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 1539782600 ACFXAKVAHDCLOF-GOSISDBHSA-N 498.993 2.483 30 10 JEEE C=CCCOCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1540033278 CVHUEBQMKSOSJH-LJQANCHMSA-N 493.612 2.478 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1540862848 KNWCQKFSVYHPIH-HOTGVXAUSA-N 460.966 2.431 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CC[C@@H](COc2ccccc2)C1 1540901456 DVXVYWOLSKNPNQ-GOSISDBHSA-N 454.556 2.241 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2CC)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1540908820 OOEUGYKBGOISNO-DVECYGJZSA-N 490.626 2.405 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCCN(c3ccccc3C#N)CC2)n1C[C@@]1(O)CCO[C@H]1C 1545909416 GCBQUFODBBLRPU-SIBVEZHUSA-N 495.628 2.325 30 10 JEEE CCc1ccccc1OCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCC(=O)N(C)C 1546314211 CLXQIPBLTAUTBP-UHFFFAOYSA-N 488.596 2.491 30 10 JEEE C=CCS(=O)(=O)CCNC(=O)Nc1cc(Br)c(F)cc1N1CCOCC1 1562940911 NWSZGYDZTGKZJG-UHFFFAOYSA-N 450.330 2.147 30 10 JEEE C#CCN(C(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1)[C@@H]1CCS(=O)(=O)C1 1563740744 YNUQDFGHOZAXQE-MAUKXSAKSA-N 454.390 2.107 30 10 JEEE C#CCN(C(=O)NC1CCN(C(=O)CCOC)CC1)C1CCN(C(=O)OC(C)(C)C)CC1 1564328304 ZABSGEPRKDKDSL-UHFFFAOYSA-N 450.580 2.058 30 10 JEEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1cccc(CN2CCO[C@H](C)C2)c1 1587662372 NCNLHHDZVBFMQT-VQTJNVASSA-N 450.587 2.127 30 10 JEEE C#CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1587755256 WCJQKAAXGHGQDF-IBGZPJMESA-N 471.631 2.346 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCN(C)Cc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1588054248 MKQFJBWEHVPYST-YADHBBJMSA-N 489.617 2.418 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1([S@@](C)=O)CCC1 1588550145 JGZHNAMWGLJMNG-FZEVHQGJSA-N 478.615 2.260 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H](C)CN2CCCC2)CC1 1588890974 JWWZKZWKPJWSCR-LVXARBLLSA-N 486.661 2.016 30 10 JEEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(CCN2[C@H](C)CC[C@H]2C)CC1 1589047945 ODMKTXLFJYSCSJ-WOJBJXKFSA-N 456.664 2.040 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1ccccc1F 1589216443 OMWZFOMWEDOJPL-NZQKXSOJSA-N 475.590 2.375 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1589556444 CIBWPWAVALNMJK-VWNXMTODSA-N 494.640 2.332 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)O[C@H](c2ccsc2)C1 1593635897 BWCLMUUSIQLTJD-SZMVWBNQSA-N 467.617 2.215 30 10 JEEE C=CCCCn1c(N2CCN(CC(=O)N(C)C)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1594774825 NRQTZMPJQKDUBT-KDURUIRLSA-N 475.638 2.225 30 10 JEEE C=CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1CCS(=O)(=O)CC1 1595282818 KJSDAIYVLKKYKU-UHFFFAOYSA-N 462.572 2.180 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1595496816 IDRFDDNWSOTLCT-UHFFFAOYSA-N 493.524 2.328 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@@H](C(=O)NCCCC)C1 1595550209 ADZASSWURVGMTF-NQIIRXRSSA-N 482.585 2.226 30 10 JEEE CCOc1ccccc1OCc1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@H](C)N1CCOCC1 1616473007 FDAVDONFJVZFRP-WZONZLPQSA-N 458.538 2.418 30 10 JEEE C[C@H]1CCCN(C(=O)C2CCN(C(=O)CN3CCN([C@H](C#N)c4ccccc4)CC3)CC2)C1 1657631773 ASXUGPBQYQNBTI-XUZZJYLKSA-N 451.615 2.366 30 10 JEEE CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)c1ccc(C#N)c(Cl)c1 1660589968 FVQBWBPAIMZVIR-INIZCTEOSA-N 457.936 2.385 30 10 JEEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)c1 1661142706 QHQQFHHKHXALJD-GOSISDBHSA-N 451.907 2.479 30 10 JEEE C=CC[C@@H](NC(=O)NCC[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)c1ccncc1 1684647943 BKPJYYRGOBHLBG-QZTJIDSGSA-N 452.577 2.422 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(N2CCOCC2)c(F)c1 1689830469 AICWRIDRZVBTKM-HOYKHHGWSA-N 457.550 2.412 30 10 JEEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 1689910988 WPOAFHKGOGEGBA-UHFFFAOYSA-N 457.538 2.230 30 10 JEEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H](c1ccccc1)N1CCOCC1 1689947939 OVNNLKVLRBNELK-RDGATRHJSA-N 453.587 2.462 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCOc1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 1689990830 SLVFXIIBZYVIPA-IAGOWNOFSA-N 464.975 2.141 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCc1c[nH]nc1C)[C@H]1CCS(=O)(=O)C1 1689998658 SKJDACXDKQMRJW-PWRODBHTSA-N 488.658 2.488 30 10 JEEE C#CCN(CC#CC)c1nnc(Cc2csc(C)n2)n1Cc1cccnc1N1CCOCC1 1690051419 ZFSFUUKUBHDNIS-UHFFFAOYSA-N 461.595 2.377 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@](C)(O)c1ccsc1 1690101310 WQALTDQMGMHBCG-DEOSSOPVSA-N 478.578 2.247 30 10 JEEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1690163647 MNUVUJZZQNZYTD-OAQYLSRUSA-N 473.990 2.174 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](COCC)C1 1690245929 OSRVCWZAHOUIJF-WTGUMLROSA-N 452.621 2.414 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCN2CCCC[C@H]2C)CC1 1690375929 XXACPYMKROPFQD-UXHICEINSA-N 466.652 2.032 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCNC(=O)c2cccc(OC)c2)CC1 1690411433 MAMCWXVSXVTPLI-LJQANCHMSA-N 473.599 2.021 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCC(=O)N2)n1CCN/C(O)=C1/N=CC=CC1=O 1690570044 UGWFJWIPEVHVMP-GLEDVZQVSA-N 479.516 2.087 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CCO[C@H](c2noc(C)n2)C1 1690667343 ZUPCLYWQWGWRML-INIZCTEOSA-N 488.346 2.279 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](CC)c2ccccc2)nnc1N1CCC[C@@H](C(=O)NC)C1 1690715501 MZJMVSQLLOCCBZ-UXHICEINSA-N 459.616 2.383 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N1CCN(C(C)C)CC1 1690718012 YEVZIMBVJDVBQX-UHFFFAOYSA-N 485.452 2.177 30 10 JEEE CCn1cccc(Cn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N(C)[C@H](C)CC#N)c1=O 1695790504 GBRRSMNHOGXOQY-QGZVFWFLSA-N 483.598 2.164 30 10 JEEE CN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1CCS(=O)(=O)C(C)(C)C 1696687867 BSBQTCMKWGXTEL-UHFFFAOYSA-N 458.588 2.235 30 10 JEEE CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)c2nc(C)cs2)CCO1 1696962145 GZCFODWUBFRDMS-KBXCAEBGSA-N 451.556 2.337 30 10 JEEE CO[C@]1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCCC[C@H](S(C)(=O)=O)C2)CCOC1 1697227660 BDSLBXXCFPZFNZ-UGKGYDQZSA-N 459.572 2.026 30 10 JEEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)COc2ccc(F)cc2)CC1 1705523047 JKWYMUBXSOXZRQ-UHFFFAOYSA-N 491.527 2.206 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1Cc1ccc(CN2CCC(O)CC2)cc1 1705595545 XDJJVVROSZHJGH-UHFFFAOYSA-N 457.582 2.147 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2cc(C)nn2C)CC1 1705645815 GBQVFWIRWNLSIT-UHFFFAOYSA-N 452.950 2.050 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2Cc2ccc(COC)cc2)CC1 1705650298 OULQXUKSZWTIFN-UHFFFAOYSA-N 458.566 2.424 30 10 JEEE C#CCSCCn1c(-c2ccccc2Br)nnc1N1CCN(CC(=O)N(C)C)CC1 1705656939 NQQYXBKFZFPZBZ-UHFFFAOYSA-N 491.459 2.284 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(c2ccccc2CO)CC1 1705662251 ULGRVZXDTSMLJZ-FQEVSTJZSA-N 474.652 2.423 30 10 JEEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1705686551 BOTRFIHHQXFMDG-NSHDSACASA-N 462.274 2.092 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCCN(c2nccc(OCC)n2)CC1 1705695917 ZXEKTYIQKMHTGW-CTNGQTDRSA-N 498.632 2.303 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(F)cc1 1705700550 VJAWESCYSZMHLW-NRSPTQNISA-N 493.605 2.368 30 10 JEEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)OCc2ccccc2)CC1 1705829185 JUIDTLGELZHTRD-FQEVSTJZSA-N 468.558 2.281 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC([C@H]2CCCO2)CC1 1705896830 ZUAOIQOGNDJKIG-HXUWFJFHSA-N 473.599 2.046 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN([C@@H](C)c2nc(CC)no2)CC1 1705935155 IRUSZZXVLZINMH-KRWDZBQOSA-N 479.651 2.296 30 10 JEEE CC(C)OC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCCS2(=O)=O)CCO1 1706687364 BJVMFHORGUVGIT-NHCUHLMSSA-N 473.599 2.414 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@H](C)CNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1722360045 CLDLNPBLKSUKLY-QZTJIDSGSA-N 490.630 2.071 30 10 JEEE C#CCN(c1nnc(-c2ccccc2)n1CCNC(=O)[C@H](C)CCC)[C@H]1CCS(=O)(=O)C1 1722361984 LMAUGBFWRGKVCX-QUCCMNQESA-N 457.600 2.124 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1cc(F)ccc1OC)[C@H]1CCS(=O)(=O)C1 1722369184 VRYRKAGPAMKPHG-ICSRJNTNSA-N 462.547 2.342 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H](C)N(C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1722369248 WSYNJJOHDZGQOC-WWNPGLIZSA-N 485.654 2.319 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CCOC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1722369701 DUEPDMHCWRMQNZ-WRTQPQOASA-N 478.659 2.496 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1c(C)nn(C)c1C 1722417344 DNUOTNKTJMHKGB-MRXNPFEDSA-N 473.578 2.066 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(Br)s2)n1CC(=O)NCC(F)F 1722422539 YRJQRYFHEXKQEA-UHFFFAOYSA-N 462.320 2.236 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(OCC(F)(F)F)c1 1722447384 LWWYAABWZWBIGO-KRWDZBQOSA-N 451.449 2.305 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CC2(CN3CCOCC3)CCCCC2)CC1 1722450981 VAMGAEPKUDENJW-UHFFFAOYSA-N 486.661 2.063 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N(C)Cc1ccc(C(=O)NC)cc1 1722500582 CHMIZDQUTXLNJS-NZQKXSOJSA-N 466.586 2.378 30 10 JEEE C=CCCCn1c(-c2cnccn2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1722614199 GDEXVVDKVCGCEF-PMACEKPBSA-N 452.607 2.328 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(Nc2cccnn2)CC1 1722699962 QYXTYPHMHIETLM-UHFFFAOYSA-N 450.522 2.181 30 10 JEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(C(=O)Nc2ccccc2)CC1 1722702071 KBUSFQZUYVPHJM-UHFFFAOYSA-N 476.585 2.297 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2CCCN(C(C)=O)C2)C1 1722711144 SDYLDIHJGXKZCD-LGVFNWMJSA-N 461.607 2.359 30 10 JEEE CCCOc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCN2CCOC[C@@H]2C)cc1OC 1728216652 FDWVHSPYLXOGJG-AZUAARDMSA-N 470.574 2.192 30 10 JEEE CCN1CCN(C[C@@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](NC(C)=O)C2)CC1 1728628496 CZCOKSQILKUEDJ-HYBUGGRVSA-N 478.645 2.195 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)cc2Cl)n1CCNS(C)(=O)=O 1740539916 ROQDDLGLWPQSRB-NSHDSACASA-N 460.785 2.368 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1(S(C)(=O)=O)CCC1 1740687889 IHSHIKNEBMDPNL-SFHVURJKSA-N 495.646 2.403 30 10 JEEE C#CCN1CCN(c2nnc(CC3CCCC3)n2Cc2cccc(OCC(=O)N(C)C)c2)CC1 1740699120 UXZBNRLHRYHEMN-UHFFFAOYSA-N 464.614 2.281 30 10 JEEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1740712168 YYMJZWFVBDIVOK-VQTJNVASSA-N 489.667 2.425 30 10 JEEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1740721104 WYIJKTXGDVYHTI-UHFFFAOYSA-N 481.651 2.426 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCc1ncc(CC)s1)[C@@H]1CCS(=O)(=O)C1 1748817094 FCPULFAIEPHVCH-DLBZAZTESA-N 463.629 2.060 30 10 JEEE C#CCN(c1nnc(CC)n1CC1(N2CCSCC2)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1748817239 HFVMXVSVJCMILC-LJQANCHMSA-N 465.689 2.219 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@H]1CCS(=O)(=O)C1 1748960379 JJBJGHYNOXVXCR-KRWDZBQOSA-N 455.540 2.121 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 1749103814 DSFAMCYHPUFOHV-HZPDHXFCSA-N 489.436 2.111 30 10 JEEE C=C(C)COCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(CCOC)C(=O)C1 1749223179 QWUZEDXQOGNNIJ-UHFFFAOYSA-N 452.559 2.325 30 10 JEEE C=CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCO[C@H](C(=O)NC)C1 1749426387 ARKMOOOJJMSFRX-SFHVURJKSA-N 462.595 2.310 30 10 JEEE COCc1nc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2ccc(C#N)cc2)cs1 1749453071 DKYZVMUZOSPDER-QGZVFWFLSA-N 472.596 2.339 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](CC)Oc1cccc(F)c1 1749489335 UPBWPIGHQRIJAH-MJGOQNOKSA-N 467.567 2.230 30 10 JEEE C=CCNC(=O)Cn1c(N2CCO[C@H](c3ccccc3C)C2)nnc1[C@@]1(OCC)CCOC1 1749681897 KHKZFYMGIPDQIY-GBXCKJPGSA-N 455.559 2.119 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CC2(O)CCS(=O)(=O)CC2)C1 1749718685 HEWVLYDYYOQWEL-OAQYLSRUSA-N 490.626 2.195 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@@H](C)[C@H]1C 1749730691 NAIHKRIWLYMWBH-HZPDHXFCSA-N 466.633 2.074 30 10 JEEE COCCN(CCC#N)c1nnc([C@@H]2COc3ccccc3O2)n1CC1([S@@](C)=O)CCC1 1749829941 BMNSXZHPSATDDP-PSTIOWGYSA-N 459.572 2.458 30 10 JEEE CC(C)N(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1750878522 DKRRMFNQSMDRPG-UHFFFAOYSA-N 473.647 2.407 30 10 JEEE Cc1nn(C)c(N2CCN(c3nnc(CC(C)C)n3CC3([S@](C)=O)CCC3)CC2)c1C#N 1751827399 DOEOSRWUZLQRKX-YTTGMZPUSA-N 458.636 2.018 30 10 JEEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 1760127643 HDYGPQIRZNXILZ-KRWDZBQOSA-N 458.588 2.162 30 10 JEEE C#CCCCn1c(Cc2ccccc2OC)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1760156227 ZVVXSKXMURPAGW-UHFFFAOYSA-N 464.614 2.425 30 10 JEEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCc2cc(OC)c(OC)c(OC)c2CC1 1760157017 BDIHTOUJJOQLEO-UHFFFAOYSA-N 467.570 2.445 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1cccc(C(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 1760182827 MPSFBAFZAJWIFW-KRWDZBQOSA-N 483.516 2.110 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@H]1C(F)(F)C12CCC2)[C@H]1CCS(=O)(=O)C1 1760184410 XAEJWAFGUHMBGA-DLBZAZTESA-N 483.585 2.259 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@@H]1CC=CCO1)[C@@H]1CCS(=O)(=O)C1 1760192699 WXPAXRUMECDLLW-CTNGQTDRSA-N 456.568 2.137 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCc2ccc(F)c(F)c2)CC1 1760268274 HAOJHEGEBRYGNS-UHFFFAOYSA-N 451.481 2.222 30 10 JEEE C=C(Br)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](OCCOC)C1 1760301276 WLYJVBYVCBZZFL-HNNXBMFYSA-N 465.352 2.466 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(NC(C)=O)CC1 1760326067 TZFMIVSVEAJKGD-UWJYYQICSA-N 472.615 2.356 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(=O)c2ccccc2)CC1 1760346026 DVHXMVBLNWUYKC-FQEVSTJZSA-N 473.599 2.286 30 10 JEEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(Cc2ccc(OC)cc2)C(=O)C1 1760346172 LDWJLNCDTCLGDY-LJQANCHMSA-N 473.599 2.004 30 10 JEEE C=CCC(C)(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(CCOC)C(=O)C1 1760411685 BZRYHUZYKPPEKL-UHFFFAOYSA-N 482.633 2.349 30 10 JEEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1760433167 ANQQDPTXTVNCMX-VQTJNVASSA-N 472.615 2.409 30 10 JEEE C=CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1760436852 IGTMYQQJNBYQAZ-QGZVFWFLSA-N 454.531 2.401 30 10 JEEE COc1ccc([C@H](C)CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)cc1 1768425236 AGDZOURPWJKGFT-KPFFTGBYSA-N 459.572 2.111 30 10 JEEE CO[C@H]1COCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1770666698 AEPQOHYBAIVJLT-UNMCSNQZSA-N 496.612 2.475 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)COc3cccnc3NC(=O)NCCCOC)cc21 1858807328 SCYMIRAYUFQAKT-UHFFFAOYSA-N 454.483 2.413 30 10 JEEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc2c(c1)OCCO2 1862756193 JSPIYZUFJQTNLH-FQEVSTJZSA-N 467.434 2.080 30 10 JEEE CN(C)c1cccc(NC(=O)[C@H](CO)NC(=O)C2CCN([C@H](C#N)c3cccs3)CC2)c1 1866866790 KQWLRPRCQHUROQ-VQTJNVASSA-N 455.584 2.207 30 10 JEEE N#Cc1ccc(COc2cn(Cc3ccc(O)cc3)c(CN3CCN(CCO)CC3)cc2=O)cc1 1870350744 UJJOUWGYSIDFFK-UHFFFAOYSA-N 474.561 2.163 30 10 JEEE C=CCn1cc(OCC(=O)OCc2ccccc2)c(=O)cc1CN1CCC2(CC1)OCCO2 1870617851 TXOPPKRPXPFASZ-UHFFFAOYSA-N 454.523 2.495 30 10 JEEE C=CCN(CC=C)c1nc(=NCCCOC(C)C)[nH]c(=Nc2ccc3c(c2)C(=O)N(C)C3=O)[nH]1 1871631949 LSIZMHOQZATAJV-UHFFFAOYSA-N 465.558 2.090 30 10 JEEE COc1cc(/C=N/Nc2cnn([C@@H]3CCS(=O)(=O)C3)c(=O)c2Cl)ccc1OC(C)C 1873529325 QKPUNHDHCNFWLI-SCDDIDHTSA-N 454.936 2.498 30 10 JEEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)NCc3nc(C)cc(N4CCOCC4)n3)n[nH]2)c1C 1889755792 SHUCRUYHNZKPJP-UHFFFAOYSA-N 450.547 2.331 30 10 JEEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)N3CCN(c4cnnc(N5CCOCC5)c4)CC3)n[nH]2)c1C 1890190265 YFEYPVWHZWZVGW-UHFFFAOYSA-N 491.600 2.055 30 10 JEEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)NCCN=c3ccc(=Nc4cc(C)ccn4)[nH][nH]3)n[nH]2)c1C 1891432344 CNUNTTNHCOKTAH-UHFFFAOYSA-N 486.584 2.389 30 10 JEEE COC(=O)c1cc(NC(=O)COC(=O)C=Cc2ccc(OCC#N)c(OC)c2)cc(C(=O)OC)c1 2040416827 FQVASLBGKROBRR-UHFFFAOYSA-N 482.445 2.366 30 10 JEEE C[C@H](NC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)C1(O)CN(C(=O)OC(C)(C)C)C1 2060137986 FNRNGQBFSHMUJB-JKSUJKDBSA-N 454.568 2.450 30 10 JEEE CC(C)(C)OC(=O)N1CC(O)(C(F)(F)C(=O)N2CCC=C(B3OC(C)(C)C(C)(C)O3)C2)C1 2132687697 XSORLNILKXLAKR-UHFFFAOYSA-N 458.311 2.394 30 10 JEEE CC(C)(C)OC(=O)NCC1(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CCOCC1 2180985611 RMUKHVDEIUNKLD-UHFFFAOYSA-N 462.356 2.036 30 10 JEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CCOc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2241104037 FRMZZVARKIGZSC-KRWDZBQOSA-N 482.408 2.184 30 10 JEEE Cc1ccc(S(=O)(=O)N(C)CCNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2255738894 AKZWNMBAHAWCPV-UHFFFAOYSA-N 454.398 2.439 30 10 JEEE COC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)Oc1nccc(B2OC(C)(C)C(C)(C)O2)c1F 2266001672 FDWMIPONKDRPMT-DOMZBBRYSA-N 454.304 2.354 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](OCCNC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C1 2267158037 FRYYLCCLSQBEBY-AWEZNQCLSA-N 467.397 2.198 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1)CC(F)(F)F 2267513967 ZHMHPTCPZUBTAO-LLVKDONJSA-N 462.278 2.284 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(CNC(=O)CC2(O)CN(C(=O)OC(C)(C)C)C2)s1 2268636763 HEHZYFCJPFMVJG-UHFFFAOYSA-N 466.409 2.344 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)CC12CCC2 2268643464 IQIMAWOGFXZRPS-ZDUSSCGKSA-N 464.397 2.377 30 10 JEEE Cc1c(C(=O)NCCC2(C)CN(C(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281798066 CTEIDBGKSPMVGG-UHFFFAOYSA-N 462.400 2.405 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)C(C)(C)[C@@H]2C1 2281927316 YFHCEQMZSAJSBQ-GDBMZVCRSA-N 460.384 2.426 30 10 JEEE CC(C)(C)OC(=O)N1CC[S@](=O)(=NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C(C)(C)C1 2281983707 YBMXVCCMUHAQJA-MGBGTMOVSA-N 482.412 2.346 30 10 JEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC[C@H]2CCCCN2C(=O)OC(C)(C)C)n1 2282063227 JIBOJRFJMAZFNP-OAHLLOKOSA-N 463.388 2.024 30 10 JEEE C[C@H]1CN(Cc2ccccc2)C[C@H]1CCNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282174042 CSINHJMJFOWQFR-PKOBYXMFSA-N 453.396 2.002 30 10 JEEE CC1(C)OB(c2cncc(S(=O)(=O)N3C[C@@H]4CCN(Cc5ccccc5)[C@@H]4C3)c2)OC1(C)C 2282352469 OVCRIFHAABYRHB-SIKLNZKXSA-N 469.416 2.276 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)c2cccc(F)c2B2OC(C)(C)C(C)(C)O2)CCO1 2282406603 MFGVVRUNQDDZND-OAHLLOKOSA-N 464.343 2.491 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)[C@H](C#N)C1 2282542754 HOYUHRNGOBUCSL-OAHLLOKOSA-N 460.315 2.105 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC1(CNC(=O)OC(C)(C)C)COC1 2282550017 SSFUAOBOSUKTTN-UHFFFAOYSA-N 462.352 2.018 30 10 JEEE Cc1cc(C(=O)N2C[C@@H](O)C[C@@H](NC(=O)OC(C)(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2282697107 MDNLWHPJFOHXQQ-MSOLQXFVSA-N 460.380 2.394 30 10 JEEE C[C@H]1CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2O)CC[C@H]1NC(=O)C(F)(F)F 2282882559 NNIONIQOANMPNL-SWLSCSKDSA-N 456.270 2.221 30 10 JEEE CN(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2c(B3OC(C)(C)C(C)(C)O3)cccc21 2283951761 YSWSPFOYTPKFGG-GOSISDBHSA-N 459.396 2.330 30 10 JEEE CN(Cc1sccc1B1OC(C)(C)C(C)(C)O1)C(=O)[C@H](CCC(N)=O)NC(=O)OC(C)(C)C 2284053531 PUGUGEHQVINZLH-HNNXBMFYSA-N 481.424 2.165 30 10 JEEE COc1ccc(Cl)cc1C(O)=C1C(=O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccccn1 2296615700 DTEGWDLEKAXVTF-HXUWFJFHSA-N 457.914 2.498 30 10 JEEE COc1cc(C=Nn2c(SCCCO)nnc2[C@H]2CC(=O)N(C(C)(C)C)C2)cc(OC)c1O 2327888726 DBAXJBIMSCTJKO-HNNXBMFYSA-N 477.587 2.472 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CC(N)=O)C(=O)NCc1sc(Cl)cc1B1OC(C)(C)C(C)(C)O1 2343813868 PJLXJLGDZOLSPT-GFCCVEGCSA-N 487.815 2.086 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2C[C@H](C1)N(C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)C2 2359312844 VEORZVGAQFNYHC-OWCLPIDISA-N 458.368 2.294 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)n1C 2362481611 WLUNKQZTQHHJSN-MRXNPFEDSA-N 462.400 2.405 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)n1C 2362486072 NIZVDULTKHDMTB-JKSUJKDBSA-N 460.384 2.109 30 10 JEEE C=CCNC(=O)CN1CCN(C(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC1 27165655 ONKXGZQPIILNHN-UHFFFAOYSA-N 488.548 2.436 30 10 JEEE C[C@]12CC(=O)[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@]2(O)C(=O)COC(=O)CCC(=O)O 253648735 WVSVAJGDZIWYBX-KCSBSPPVSA-N 460.523 2.406 30 10 JEEE C#CCN(C(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S)[C@H]1CCS(=O)(=O)C1 729332715 VWEUWPFWFKEKTB-AOHITCTBSA-N 468.647 2.378 30 10 JEEE C=CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)N2CCN([C@H](C)c3ccccc3)CC2)c1 794518679 VFNJJMAODDPFPC-LJQANCHMSA-N 471.579 2.213 30 10 JEEE O=C(CSc1n[nH]c(NN=Cc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1)NCc1ccccc1 1083994738 AUKIXBCDQBZCRI-UHFFFAOYSA-N 456.444 2.476 30 10 JEEE C#C[C@H](NCC(=O)NCCN1C(=O)S/C(=C/c2ccc(OCC)cc2)C1=O)[C@@H]1CCCO1 1193594612 XNASDIDJYWTMCF-HXBDHHQRSA-N 457.552 2.008 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1(N(C)C)CCOCC1 1286298529 KXERJSVXMZJHCV-LJQANCHMSA-N 452.607 2.021 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1CC(C)(C)CN(C)C)[C@@H]1CCS(=O)(=O)C1 1286386792 HPDDGYJQKULAHK-GOSISDBHSA-N 459.616 2.168 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](CC=C)c1ccccc1 1286429964 DXKBJEQMHKVBSE-PKTZIBPZSA-N 481.622 2.434 30 10 JEEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1286705618 BGBIWTDPOAPCMI-HSZRJFAPSA-N 456.547 2.292 30 10 JEEE CC(C)OC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC2(O)CCOCC2)CCO1 1288351883 AFDFNRJEJZZJFT-OAQYLSRUSA-N 455.559 2.379 30 10 JEEE C[C@@](O)(Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C(N)=O)C1)c1cccs1 1288904381 GVIUJNWTUALYIH-OPAMFIHVSA-N 452.540 2.010 30 10 JEEE Cc1nn(C)c(N2CCN(c3nnc(CC(C)C)n3CC3(C(=O)N(C)C)CCCC3)CC2)c1C#N 1290576272 CFVZPXAXOICUMZ-UHFFFAOYSA-N 481.649 2.365 30 10 JEEE CC#CCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 1295706101 NDZDGHNLNSVWCR-NRFANRHFSA-N 454.508 2.495 30 10 JEEE C#CCCCCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1300366120 FPKWUCVCFDARMK-IBGZPJMESA-N 450.522 2.343 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1300495661 JEBZJRKMJOYVJH-VQTJNVASSA-N 458.584 2.050 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCOc1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 1300505741 HNKLVZOXGHAQJD-VWPQPMDRSA-N 488.610 2.016 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CC(=C)C)n1 1300681463 QLKRIVRLCZZBNA-UHFFFAOYSA-N 472.553 2.251 30 10 JEEE C#CCN1CCN(c2nnc([C@H](CC)c3ccccc3)n2CC2(CS(C)(=O)=O)CC2)CC1 1300682910 KWAOXTXNCUHPOQ-OAQYLSRUSA-N 455.628 2.400 30 10 JEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N(C)Cc1ccccc1N1CCOCC1 1300731182 DHBVPLSWYBKLES-UHFFFAOYSA-N 456.616 2.256 30 10 JEEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)c2cc(C)oc2C)CC1 1300950489 DIOKGXYZOMDQNC-QGZVFWFLSA-N 461.588 2.365 30 10 JEEE C=CCCOCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1301252955 SXQFRZWYKVUMSM-MRXNPFEDSA-N 472.571 2.200 30 10 JEEE COCC[C@@](C)(O)Cn1c(CC2CCCC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1301455253 BETVBVQTKDMBSK-XMMPIXPASA-N 470.622 2.039 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1301576932 IRBVXRDCGQHRJB-UHFFFAOYSA-N 478.644 2.451 30 10 JEEE C=CCSCCn1c(-c2cccnc2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1301605893 CLJHSMRUOQPNII-RXVVDRJESA-N 455.632 2.248 30 10 JEEE C[S@@](=O)C1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)CCC1 1316364487 AZPRMTBKALCVFN-PSTIOWGYSA-N 491.639 2.043 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(OCC(F)(F)F)c1 1358872674 XJQNVHONQZVDSH-UONOGXRCSA-N 459.494 2.336 30 10 JEEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)COc2ccc(F)cc2)CC1 1358932979 DLYINGQTMGPIOB-UHFFFAOYSA-N 479.560 2.420 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCc1csc(C(C)C)n1)[C@H]1CCS(=O)(=O)C1 1358963784 OCXMJOZVOKDMPD-AEFFLSMTSA-N 463.629 2.231 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCc1nc(C)no1 1359016686 JVMNNEMYEVIBSQ-GOSISDBHSA-N 472.546 2.283 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCCN2CCc3ccccc3C2)CC1 1359027989 CMMFKNHHQUHAFA-UHFFFAOYSA-N 477.657 2.400 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2Cc2cc(C)nn2C)CC1 1359042424 FWIPPVCYKRMKLT-UHFFFAOYSA-N 491.596 2.408 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)ccc3C)n2CC2([S@@](C)=O)CC2)CC1 1359047222 WUQWLEGUOWWVEH-UUWRZZSWSA-N 483.638 2.351 30 10 JEEE C=CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1359286392 NUYDKDHZYDFTNS-UHFFFAOYSA-N 475.516 2.447 30 10 JEEE C#C[C@H](NS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(Cl)cc1 1463830628 FIKMSMZSFWHQDT-IBGZPJMESA-N 454.957 2.014 30 10 JEEE C#CCN1CCC[C@@H](NC(=O)[C@H](CCS(C)(=O)=O)Cc2cccc(Br)c2)C1 1471832876 KZGDOFWLCNNWTE-IEBWSBKVSA-N 455.418 2.256 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCOc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1507636622 BMRQIAGSSGVXSD-GHTZIAJQSA-N 474.583 2.234 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1C[C@H]1CC[C@@]2(CCOC2)O1 1507643334 LMOUHCYERBIYOP-UTKZUKDTSA-N 458.360 2.457 30 10 JEEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(C[S@@](C)=O)cc2)CC1 1507728283 PZVQASQLSSNLIB-JGCGQSQUSA-N 468.652 2.316 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1507743694 IQRSFMYLITUZBN-QGZVFWFLSA-N 456.572 2.066 30 10 JEEE C#CCSCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC(NC(=O)COC)CC1 1507754301 AYHJUOYDKWUUHW-UHFFFAOYSA-N 466.611 2.448 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1507785168 NJVPUOWEYGMAFR-CVEARBPZSA-N 484.424 2.139 30 10 JEEE C=C(C)COCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(C(=O)NCC)CC1 1507845229 BUIAKEQGGWZTPS-HXUWFJFHSA-N 456.547 2.235 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ccc(C=C)cc2)C1 1508122002 BPAUSLJPCHBRLX-VXKWHMMOSA-N 487.626 2.278 30 10 JEEE Cc1cccc(OCc2nnc(N3CCN(c4cc(C#N)ccn4)CC3)n2CC(=O)NC(C)C)c1 1511202425 AVIQDKURODBEJR-UHFFFAOYSA-N 474.569 2.283 30 10 JEEE Cc1nn(C)c(C)c1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)C[C@H](C)C#N 1511645143 FQVXZJPOUUAVEP-OAHLLOKOSA-N 470.603 2.190 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@]1(O)CCSC1)[C@@H]1CCS(=O)(=O)C1 1539205019 FATHQENKNAYGKH-JKSBSHDWSA-N 494.614 2.052 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H]1CCCCN1CCC)[C@@H]1CCS(=O)(=O)C1 1539210228 CDWAJUONDXDHKC-VQTJNVASSA-N 456.616 2.231 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccco1)N1CCCC1 1539322937 AUDLYALNMKRFBP-WOJBJXKFSA-N 455.584 2.073 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1539475629 KKZVWGYIOOVBSB-OAQYLSRUSA-N 462.598 2.478 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC(C)C)CC1 1539483107 ZFVPAMJNZRGUOW-LJQANCHMSA-N 474.606 2.208 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@@H](Cn2cccn2)C1 1539615960 MSZIMIHCOSIAHB-TYPHKJRUSA-N 471.606 2.280 30 10 JEEE C=CCn1c(-c2cccc(Cl)c2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1540854722 ZVLSYIKFUYQEJF-UHFFFAOYSA-N 461.979 2.337 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCCN(C(=O)Cc2cccc(F)c2)CC1 1540867831 JKYLRIFLGPRZMQ-UHFFFAOYSA-N 477.544 2.063 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1540900404 UPUKYZXKTTZIIR-IUKKYPGJSA-N 471.583 2.190 30 10 JEEE CCCCN(C)C(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(C)(=O)=O)CC1 1546986540 ACYKEPIKXYLSFN-UHFFFAOYSA-N 472.615 2.336 30 10 JEEE CCCn1nc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC(C)(C)OC)c2ccccc2c1=O 1547215039 HMBFXNRDOWIGTE-INIZCTEOSA-N 451.531 2.219 30 10 JEEE COCC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1555418425 AARVYWZNICVHHF-OFVILXPXSA-N 468.602 2.153 30 10 JEEE CC[C@H](C)[C@@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)C(=O)NCC1(C#N)CC1 1556392679 CSSJMHDXNQCFQA-SUMWQHHRSA-N 454.980 2.155 30 10 JEEE N#Cc1c(Br)cccc1S(=O)(=O)NCc1ccccc1CN1CC[C@H](O)C1 1561461408 AHRKRGGDIQIVQF-INIZCTEOSA-N 450.358 2.366 30 10 JEEE C#CCN(C(=O)NCc1ccc(N2CCOCC2)nc1)C1CCN(C(=O)OC(C)(C)C)CC1 1563575701 UXRNNFVVTOQKSS-UHFFFAOYSA-N 457.575 2.463 30 10 JEEE C#CCN(c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC(=O)NCCC)[C@@H]1CCS(=O)(=O)C1 1588035310 RHDUTXUCYQOFAN-SJLPKXTDSA-N 489.667 2.284 30 10 JEEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1CCSC(C)C)[C@H]1CCS(=O)(=O)C1 1588069203 JJOARBXOCDTIHC-INIZCTEOSA-N 481.669 2.038 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(CN2CCCC2)cc1 1588228962 NTPKPUSMQOYXMN-QHCPKHFHSA-N 465.623 2.287 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCCO2)n1CCN1CCCS1(=O)=O 1588550176 JUEXEUXBHVKILT-HXUWFJFHSA-N 461.563 2.334 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2C[C@@H]2CSCCS2)CC1 1588871653 LRLSTHAQLOAHJB-GOSISDBHSA-N 459.641 2.470 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H]2N(C)CCCC2(C)C)CC1 1588890966 JTFCNNONHDMOHE-QFQXNSOFSA-N 486.661 2.016 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCCC=C)CC1 1588929691 FSQTUSBQRFOWSO-UHFFFAOYSA-N 462.602 2.384 30 10 JEEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1589382109 JHDPQODUNPURGB-MRXNPFEDSA-N 491.438 2.157 30 10 JEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2nccc(C(F)(F)F)n2)CC1 1594192361 HMRUNFLOKHQTRB-CYBMUJFWSA-N 473.525 2.342 30 10 JEEE C=CCC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1594520538 AKOOFVMQJPCNJB-UHFFFAOYSA-N 468.650 2.486 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(Cl)cc2)nnc1N1CCC(C(=O)NC)CC1 1595821670 CETRCXWWSRZBTI-UHFFFAOYSA-N 482.006 2.074 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCS[C@H](C(C)C)C1 1595822985 KONIRMZZYHIDJV-SFHVURJKSA-N 452.650 2.318 30 10 JEEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2COCCO2)C[C@@H](C(F)(F)F)O1 1612977698 GVJZWLXWUCMOSS-OLMNPRSZSA-N 467.448 2.300 30 10 JEEE COc1cccc(O[C@@H](C)Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@H](C#N)C2)c1 1619374283 FSOIKTBRQUUDGK-QFBILLFUSA-N 463.498 2.130 30 10 JEEE CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)nc1 1671136494 CBMRVSMETCCKKQ-UHFFFAOYSA-N 456.572 2.380 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2c(F)cc(F)cc2[C@H]1C 1689930593 VONDRLJOPYTWKY-QRWLVFNGSA-N 479.553 2.426 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CCc1ccc(NC(C)=O)cc1)[C@H]1CCS(=O)(=O)C1 1689993322 AVYQGPQRFVTOQF-QHCPKHFHSA-N 492.605 2.092 30 10 JEEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 1690188471 JLJLOFIQBRGXDJ-QHAWAJNXSA-N 474.675 2.313 30 10 JEEE C=C(Cl)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1690347815 QSWUNUVHIWEVJO-MRXNPFEDSA-N 450.877 2.372 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CN2CCCC2=O)n1CCN1CCOC[C@@H]1C 1690561229 IGGOIVODYFRVEB-FQEVSTJZSA-N 463.586 2.185 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1690663276 RGGUVEQSYLVGLZ-RDJZCZTQSA-N 477.656 2.447 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCCN(C(=O)CC2CCCC2)CC1 1690667795 IKRHNDAMOVHCHE-UHFFFAOYSA-N 453.591 2.205 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N(C)Cc1ccc([S@](C)=O)cc1 1690724492 QHFLOHRJMHTZCZ-ADSBAMQRSA-N 466.629 2.494 30 10 JEEE CC(C)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)CC2CC2)[C@@H](C)C1=O 1692423447 BCZHAVHTIJRETC-SFHVURJKSA-N 484.626 2.335 30 10 JEEE Cc1nc(N2CCOCC2)sc1-c1nnc(N(C)C[C@H](C)C#N)n1CC1([S@](C)=O)CCC1 1692911450 CLGXNPAMQCMARI-YPSMLTEGSA-N 477.660 2.444 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCS(=O)(=O)c1ccccc1 1705492637 UQZYAAVQVJESHC-LJQANCHMSA-N 479.610 2.384 30 10 JEEE C#CCCCCn1c(N2CCN(c3nc(C)cc(OC)n3)CC2)nnc1[C@@]1(OCC)CCOC1 1705522282 ZNCFFVYSURITES-XMMPIXPASA-N 469.590 2.167 30 10 JEEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(C(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 1705560873 LMGHQGCILNCVBJ-LJQANCHMSA-N 490.651 2.412 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1705575624 RAYJTUNMSBGENJ-CVDCTZTESA-N 497.621 2.239 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OCC)n2Cc2cnn(C)c2)CC1 1705651021 GZOHNKDBGFMQIU-UHFFFAOYSA-N 477.569 2.003 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@](C)(O)c2cc(C)oc2C)CC1 1705651145 LSBLSZXRSCDKOO-AREMUKBSSA-N 493.612 2.223 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 1705652513 BYVUGFISPABESZ-IBGZPJMESA-N 488.633 2.428 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CCN(C)C1 1705716587 OVYZQSOHZYQPLK-JPYJTQIMSA-N 464.611 2.056 30 10 JEEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2C)CC1 1705730999 QJONRCZRAJZYMG-LJQANCHMSA-N 462.620 2.116 30 10 JEEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(S(=O)(=O)CC)CC1 1705732292 UVWQIGFFFPZHDI-UHFFFAOYSA-N 496.655 2.345 30 10 JEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(N3CCOC3=O)cc2)CC1 1705763044 NRROJFZQDKYXLG-MRXNPFEDSA-N 460.560 2.050 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(OC)CCC(C)CC1 1705875922 KDASRBYCGIVMHX-LVIWNVNYSA-N 467.636 2.385 30 10 JEEE C=CCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1705892609 RTFYUOKGMFUIKY-VQTJNVASSA-N 460.648 2.087 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCO[C@H](COC)C1 1705902163 IJQVQHTZRDDUHW-INIZCTEOSA-N 464.364 2.170 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1705932547 GJLHGBMRHHKWDG-JPYJTQIMSA-N 471.583 2.192 30 10 JEEE C=CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1705947684 UOQWEXCNIIUTSU-UHFFFAOYSA-N 458.563 2.448 30 10 JEEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2sc(C)nc2C)C1 1710345219 CVJQWHVUEGHNJD-SFHVURJKSA-N 471.612 2.456 30 10 JEEE CCS(=O)(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[S@](=O)C(C)(C)C)CC1 1710888906 HUAWUMBDPWEQBE-YTTGMZPUSA-N 492.671 2.272 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCCN2CC)c1 1722307004 YACPKTRBIYDRNM-OAQYLSRUSA-N 463.586 2.055 30 10 JEEE C#CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1722325862 PBVYXSIJEOBEAK-UHFFFAOYSA-N 461.588 2.236 30 10 JEEE C#CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1OCC[C@H]1C 1722421052 JPZIDHPJNZVYRF-SJLPKXTDSA-N 460.604 2.058 30 10 JEEE C#CCN(CCOC)c1nnc(COc2ccc(C#N)cc2)n1CC1CCN(C(C)=O)CC1 1722426404 BINGHEVUGZNKIH-UHFFFAOYSA-N 450.543 2.073 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](c2noc(C(C)C)n2)C1 1722460800 ZGGLGUZMKYJRPY-SJORKVTESA-N 478.644 2.437 30 10 JEEE C#CCSCCn1c(CC2CCCC2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1722461148 DMZCVNROBUNEBP-UHFFFAOYSA-N 478.644 2.017 30 10 JEEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1722466038 XMCRNDUDOVBHED-AZUAARDMSA-N 450.568 2.152 30 10 JEEE C=C(Cl)Cn1c(-c2ccc(C)o2)nnc1N1CCN([C@@H](C)C(=O)NCCCOC)CC1 1722545045 RKUOOFZVMLOOAT-KRWDZBQOSA-N 450.971 2.262 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2c(F)cc(F)c(F)c2F)CC1 1722565846 CXTLFSKCVXOCTK-MRXNPFEDSA-N 489.495 2.372 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1)C(C)C 1722664650 DVGHMABSFQBXLP-AABGKKOBSA-N 455.563 2.491 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC(NC(=O)c3ccccc3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1722704150 OYPMSYCCEBXNDL-AREMUKBSSA-N 496.612 2.020 30 10 JEEE C=CCOc1ccccc1Cn1c(N2CC(=O)N(C)C[C@@H]2C)nnc1[C@@]1(OCC)CCOC1 1722708578 YNDFHHQUSPNAFR-MHECFPHRSA-N 455.559 2.210 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC2(S(C)(=O)=O)CCCC2)C1 1722710092 DCFSCVWDBVJVAK-XXBNENTESA-N 482.647 2.457 30 10 JEEE CC(=O)N1CCC(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@@H](CC(N)=O)C2)CC1 1722762229 GCXGGGJDYNDAQU-NRFANRHFSA-N 479.585 2.079 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1CCN1CCCS1(=O)=O 1740535074 NMRVQSVMGGQPBY-ROUUACIJSA-N 461.588 2.310 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CCc1ccc(F)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1740616148 UJXMEXRZKYCMCH-GOSISDBHSA-N 493.580 2.344 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@@H]1CCCCN1CC)[C@@H]1CCS(=O)(=O)C1 1740625666 PBBNZHKFLSZYCN-FCHUYYIVSA-N 485.654 2.379 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H](c1ccco1)N(C)C 1740631398 TWKUYWYGSSPJAO-OAQYLSRUSA-N 480.594 2.164 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cccnc1-n1cccn1 1740648432 GVZHTBSILQXRME-RUZDIDTESA-N 459.554 2.411 30 10 JEEE C#CCN(CC)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@@]1(O)CCS(=O)(=O)C1 1740673654 BLXHTYHPTGCMOH-QHCPKHFHSA-N 460.600 2.298 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccc3Cl)n2C[C@]2(O)CCN(C)C2)n1 1740688125 QVMZIKCTOHOWGK-DEOSSOPVSA-N 484.004 2.148 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCOC3)n2C[C@H]2C[C@H](C)O[C@H](C)C2)n1 1740689295 UVWRYZLVAOWCCK-PLACYPQZSA-N 456.591 2.468 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CC2=CCN(C(=O)OC(C)(C)C)CC2)CC1 1740696167 NQOLJQBOJPVCCM-HXUWFJFHSA-N 456.591 2.104 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCNC(=O)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740768177 UIZMBIGLCVIXGA-XSYGEPLQSA-N 474.606 2.356 30 10 JEEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1740821647 ICBCPVVOXSYNCC-CVEARBPZSA-N 490.026 2.352 30 10 JEEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(=O)NC2CCCCC2)CC1 1740868930 WLFDYFLDSJWGJS-QGZVFWFLSA-N 481.667 2.455 30 10 JEEE C=CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1740871770 NQGWRLUSSKEWHR-MRXNPFEDSA-N 475.479 2.392 30 10 JEEE C=CCCOCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(CC(=O)N(C)C)CC1 1740884581 GEONSKQOLVXCDK-UHFFFAOYSA-N 493.612 2.479 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(C[C@H]2CCOC2)CC1 1740953255 ZQSQLJREOCDACI-RBUKOAKNSA-N 472.565 2.018 30 10 JEEE CC(C)CC[C@@](C)(O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1741497578 FQRUESUSQODNIS-YADARESESA-N 466.590 2.010 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CC12CCOCC2 1748651881 SSCRPFOWDQEQEA-HKUYNNGSSA-N 457.600 2.470 30 10 JEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 1748735981 VIWAVSNJGDMYEB-INIZCTEOSA-N 452.602 2.021 30 10 JEEE C#CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1748747945 POLGWZFLWJQUGM-SFHVURJKSA-N 482.610 2.492 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1CC(F)(F)CO1)[C@@H]1CCS(=O)(=O)C1 1748808905 IMOKVBJXVKXFIV-SJORKVTESA-N 496.536 2.013 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1cccc(Br)n1)[C@H]1CCS(=O)(=O)C1 1748817145 FWLMZZXYZKYFTQ-WBVHZDCISA-N 494.415 2.005 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1ccc(COC)cc1)[C@@H]1CCS(=O)(=O)C1 1748819366 NTGKCCOPZQFXCF-JOCHJYFZSA-N 465.579 2.085 30 10 JEEE C#CCN(CC)c1nnc(-c2ccccc2Br)n1CCOCCS(C)(=O)=O 1748918690 NJRCVSISPHWZRW-UHFFFAOYSA-N 455.378 2.228 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@](C)(O)CC)CC1 1749003453 KMYCQASLHDSJCQ-XMMPIXPASA-N 455.559 2.089 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC[C@H]2COCCO2)CC1 1749005371 VPPFVXJYRJISMR-QUCCMNQESA-N 485.560 2.329 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCNC(=O)C1 1749130326 KQLYIRGTQIWSLL-UYAOXDASSA-N 474.606 2.310 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1749136408 MTEJFCVBJUYACW-LSWJPFSZSA-N 469.586 2.004 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1749671818 KHINCQLPBADAEG-UHFFFAOYSA-N 482.482 2.205 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H]2[C@@H](C1)C2(C)C 1749724847 OAEADSAVIPYSKE-QZTJIDSGSA-N 464.613 2.042 30 10 JEEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1749740331 CQAJNCMTCXJCNE-UHFFFAOYSA-N 475.707 2.428 30 10 JEEE CC(C)CCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC(=O)NC(C)(C)C 1750792644 DBDFDFHHXZDPSX-QGZVFWFLSA-N 452.625 2.251 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(=O)NCCc1ccccc1 1760101361 OEXUINVGABLUIC-GOSISDBHSA-N 493.637 2.363 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCS(=O)(=O)CC=C 1760113960 ZSXZHPRSLDWFBC-QZTJIDSGSA-N 465.620 2.451 30 10 JEEE C#CCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1760142145 STKDLYALATVEKI-RUZDIDTESA-N 475.553 2.347 30 10 JEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1760147318 NGFRQISWDBPHEO-GOSISDBHSA-N 456.528 2.031 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(Br)cc2)n1Cc1cn(C2COC2)nn1 1760212660 ADWIACXRMZPITM-UHFFFAOYSA-N 466.343 2.382 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCCN(C(C)=O)CC1 1760324771 MRYRSINWWNFYFC-GHTZIAJQSA-N 472.615 2.309 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 1760333933 IIWWJBZSQIQZCU-ZVDOUQERSA-N 492.646 2.131 30 10 JEEE C=CCCCn1c(Cc2ccccc2OC)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1760441377 GJXTVZCDVGXULL-NRFANRHFSA-N 489.642 2.475 30 10 JEEE C=CCN(CC=C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H]1CCN(S(C)(=O)=O)C1 1760492016 CEJDWBWRKDIBON-KRWDZBQOSA-N 459.572 2.176 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@H](COC)C1 1760554417 DDGYOOOASHWPIA-PXNSSMCTSA-N 462.572 2.254 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(N2CCOCC2)nc1 1761363090 BVBGJMQDHAYARO-KRWDZBQOSA-N 480.598 2.288 30 10 JEEE CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCC(=O)Nc1ccccc1 1766395820 CFPPPWZZIGAQDZ-UHFFFAOYSA-N 477.573 2.084 30 10 JEEE CN(C[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCOC2)C1)S(C)(=O)=O 1767224664 FKJJEDCNDIPQTG-WOJBJXKFSA-N 472.615 2.351 30 10 JEEE CN1C(=O)Cc2cc(S(=O)(=O)N(C)c3ccc(NS(=O)(=O)c4ccccc4C#N)cn3)ccc21 1858272816 YHMFKYFYRZXBEZ-UHFFFAOYSA-N 497.558 2.098 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)COc2cccnc2NC(=O)N2CCCNCC2)nc1C 1858816632 YRVGOCVNFROLEY-UHFFFAOYSA-N 474.543 2.034 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@@H]2c2ccc3c(c2)OCCO3)cc1 1862695819 IXSUMUWJODSKBK-OAQYLSRUSA-N 452.463 2.181 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)COc2cn(CCCCCO)c(CN(C)C)cc2=O)nc1C 1870323182 KNXNWIXKJOJHBW-UHFFFAOYSA-N 492.598 2.198 30 10 JEEE C#CCOc1cn(CCOC)c(CNc2ccc(C(=O)NCCN(CC)CC)cc2)cc1=O 1871004919 FVNOFZPZOUITPQ-UHFFFAOYSA-N 454.571 2.190 30 10 JEEE COc1ccc(CCc2nnc(SCC(N)=O)n2/N=C/c2cc(OC)c(O)c(OC)c2)cc1 1874306918 WEIKGXAWEZKNRG-WYMPLXKRSA-N 471.539 2.254 30 10 JEEE C=CCNC(=O)[C@H](C)S(=O)(=O)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 2019017507 RZDKJPBFYRLGAX-YCRPNKLZSA-N 486.546 2.084 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@]2(C(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)C1 2206614623 QZQHKHSWIZIBBK-NPMXOYFQSA-N 459.352 2.345 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@H](O)CN(C(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2255707065 RGDPINNYOQQAGY-KBPBESRZSA-N 452.382 2.147 30 10 JEEE Cc1cc(S(=O)(=O)NCCCNC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2255745459 QEPMKAVYTYWKHQ-UHFFFAOYSA-N 454.398 2.487 30 10 JEEE CN(C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)[C@H]1CC[C@H]1NC(=O)OCc1ccccc1 2255879958 XRBLSHAUXBKVDF-MOPGFXCFSA-N 466.347 2.305 30 10 JEEE CC(C)(C)OC(=O)NC(C)(C)[C@@H](O)C(=O)NCc1sccc1B1OC(C)(C)C(C)(C)O1 2256641168 SYHLEWUXIYANCP-HNNXBMFYSA-N 454.398 2.328 30 10 JEEE CN(C[C@@H]1CN(C(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)CCO1)C(=O)OC(C)(C)C 2267251533 KHVUEKWBJMKUOI-CQSZACIVSA-N 467.397 2.150 30 10 JEEE CC1(CNS(=O)(=O)c2c(Cl)cc(B3OC(C)(C)C(C)(C)O3)cc2Cl)OCCO1 2267468805 NEOQTKHNEMKCRT-UHFFFAOYSA-N 452.165 2.334 30 10 JEEE Cc1ccc(S(=O)(=O)N[C@@H]2C[C@@H]2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2267703953 FSBZJPNJQLXFAQ-NVXWUHKLSA-N 466.409 2.486 30 10 JEEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)[C@@H]2C[C@@H]21 2267711991 AYRZOMJYZPEJMR-ZWKOTPCHSA-N 464.393 2.368 30 10 JEEE CN1CC[C@@](CNC(=O)OC(C)(C)C)(Oc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2269064373 XHWLMRHCHBSNRK-QFIPXVFZSA-N 451.348 2.498 30 10 JEEE Cc1csc(C(=O)N(C)CC2(O)CN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2271681349 VBXQIMIRCFNPFA-UHFFFAOYSA-N 466.409 2.410 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1COC[C@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2281791535 ZCVJFRUBQWYIQF-RDTXWAMCSA-N 464.343 2.394 30 10 JEEE COC(=O)C1(NC(=O)OC(C)(C)C)CC(NC(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2281794153 BYYMIQQZSCWVKW-UHFFFAOYSA-N 480.392 2.376 30 10 JEEE CC[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2281971444 JKBMPCJWGJYWNN-DOTOQJQBSA-N 462.400 2.485 30 10 JEEE Cc1c(C(=O)N(C)[C@@H](CNC(=O)OC(C)(C)C)C2CC2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281987646 BFZRLXWXKQPQPX-INIZCTEOSA-N 462.400 2.403 30 10 JEEE Cn1cc(C(=O)N[C@@]23CCC[C@H]2CN(C(=O)OC(C)(C)C)C3)nc1B1OC(C)(C)C(C)(C)O1 2282042367 CENKAWQVMOTLKR-NPMXOYFQSA-N 460.384 2.239 30 10 JEEE C[C@H]1CC[C@@H](NC(=O)C(F)(F)F)CN1C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2282050785 DGSJZILPZWIAHH-WCQYABFASA-N 459.249 2.192 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC/C=C/CNC(=O)OC(C)(C)C 2282494163 XMIJFXUVEURJCW-MDZDMXLPSA-N 482.408 2.354 30 10 JEEE CC1(C)OB(c2scnc2C(=O)NC[C@@]23CN(Cc4ccccc4)C[C@H]2CCO3)OC1(C)C 2282522051 FODIDUFCSRJDHS-HOYKHHGWSA-N 469.416 2.463 30 10 JEEE C[C@@H]1CCN(C(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)[C@H](CNC(=O)OC(C)(C)C)C1 2282578022 MMGNDARTYYPXPK-CVEARBPZSA-N 462.400 2.485 30 10 JEEE Cc1c(C(=O)N[C@@H]2C[C@H](C)CN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282593427 QMRWOOPPJOQOOE-GOEBONIOSA-N 462.400 2.403 30 10 JEEE Cn1nc(C(=O)N=[S@@](C)(=O)CCCCNC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2282621540 SWGOKUWLLQKDLU-XIFFEERXSA-N 484.428 2.262 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@@]2(CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)C1 2282627342 MMDQPXCKARAFJM-WNSKOXEYSA-N 462.352 2.335 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H](O)CCC(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)ccc1F 2283970252 FNTNFPCIAUQIPZ-KRWDZBQOSA-N 466.359 2.407 30 10 JEEE CN(Cc1ccccc1B1OC(C)(C)C(C)(C)O1)C(=O)[C@@H]1COC[C@H]1NC(=O)OC(C)(C)C 2284026008 AIZIWSOVGYQDLW-IEBWSBKVSA-N 460.380 2.484 30 10 JEEE Cc1c(C(=O)N2C[C@H]3C[C@@]3(CNC(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2288247408 MWFFULZHTYZKAZ-IQMFZBJNSA-N 460.384 2.015 30 10 JEEE COC(=O)c1ccc([C@H]2C(=C(O)c3sc(C)nc3C)C(=O)C(=O)N2CCN2CCOCC2)cc1 2297059736 FVOOWKFFTOMOPT-IBGZPJMESA-N 485.562 2.300 30 10 JEEE CON(C(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2315642345 VSOUYIVYOSLQFZ-ZDUSSCGKSA-N 453.370 2.455 30 10 JEEE C[C@H](C(=O)O)N(Cc1ccccc1)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2319293264 NYCUJOMQJHOKRA-CQSZACIVSA-N 466.390 2.247 30 10 JEEE COC(=O)CSc1nnc([C@H]2CC(=O)N(c3ccc(OC)cc3)C2)n1N=Cc1cccn1C 2325881688 OZXPFJYYRTUYDR-HNNXBMFYSA-N 468.539 2.293 30 10 JEEE Cn1ncc(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 2359266948 FYGOGWOPQCQLOM-OTRWWLKZSA-N 460.384 2.141 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H]3C[C@H]2C[C@H](NC(=O)OC(C)(C)C)C3)n1 2359267109 PLWNNSBOYFSMII-XHSDSOJGSA-N 460.384 2.237 30 10 JEEE CN(C(=O)OC(C)(C)C)[C@@H]1CN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)CC1(C)C 2361512645 CWWWFICXBBUPAP-MRXNPFEDSA-N 460.384 2.493 30 10 JEEE CN(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C)[C@@H]1CN(C(=O)OC(C)(C)C)CC1(C)C 2362343813 KRCXLNLOHHQCBC-OAHLLOKOSA-N 462.400 2.437 30 10 JEEE C=CCn1c(SCC(=O)CC(=O)OCC)nc2cc(C(=O)NC[C@H]3CCCO3)ccc2c1=O 20645644 YEGVSDZGLBCROK-QGZVFWFLSA-N 473.551 2.106 30 10 JEEE COC(=O)c1ccc(/C=N/Nc2nnc(SCCC(=O)Nc3cccc(NC(C)=O)c3)n2N)cc1 20914006 CPPVPPAVXCJYBH-ZMOGYAJESA-N 496.553 2.304 30 10 JEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2c(Cl)cccc2Cl)c(=O)n1C[C@H]1CCCO1 603798858 PHTFBEDILRQHJO-CYBMUJFWSA-N 464.374 2.201 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1CC[C@H](N1CCOCC1)C(F)(F)F 1286271929 WTRWHPJSGLQXDT-RDJZCZTQSA-N 458.529 2.308 30 10 JEEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(CC)CC1)[C@H]1CCS(=O)(=O)C1 1286385795 ZQEMVNFXWTVKEE-SFHVURJKSA-N 476.624 2.166 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2CCCS(=O)(=O)c2ccccc2)CC1 1286479360 GWQWKSXOWLVGLK-OAQYLSRUSA-N 457.600 2.139 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCNC(=O)C(C)C)C1 1286808633 CRRIJWYEVFITQX-RTBURBONSA-N 492.621 2.140 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCC[C@@H](NC(=O)CC)C1 1286821407 KCKXFIJRXVKXJG-GOSISDBHSA-N 463.579 2.104 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)CC)n2C[C@H]2CCCN2S(C)(=O)=O)c1 1300331206 GRXNAIGZWVMNDP-YLJYHZDGSA-N 472.615 2.272 30 10 JEEE C#CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1300403865 QPYSVQMZBARRCK-DLBZAZTESA-N 470.599 2.346 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCN(C)[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1300481960 CXDBHOHDYPEXCV-AZUAARDMSA-N 459.616 2.311 30 10 JEEE C#CCN(c1nnc([C@@H](C)CC)n1CC1CN(C(=O)OC(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1 1300483997 NOHWIRHIIRQJHQ-WMZOPIPTSA-N 465.620 2.285 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)o2)n1Cc1nccc(C(F)F)n1)[C@H]1CCS(=O)(=O)C1 1300485183 YCARHUOHEOWSSF-AWEZNQCLSA-N 462.482 2.249 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1CCOc1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 1300495710 JRJVKTUQGZWHIH-FUHWJXTLSA-N 464.975 2.141 30 10 JEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1Cc1ccc(C#N)o1)[C@@H]1CCS(=O)(=O)C1 1300501192 HRJGVSJLBIQURU-LJQANCHMSA-N 479.562 2.212 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC[C@@H](OC)C(F)(F)F 1300515861 BYRUVBFZRWQZOM-QGZVFWFLSA-N 454.474 2.389 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(OC)nc2OC)CC1 1300727505 ZILVSRRFLFLNTD-UHFFFAOYSA-N 454.575 2.293 30 10 JEEE C=C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@]2(C)COCCO2)CC1 1301072588 NMWYMCAFEUBELT-JOCHJYFZSA-N 461.588 2.157 30 10 JEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)N(C)c1ccccc1)C1CC1 1301326594 CVBHYHDLGYREMY-WIYYLYMNSA-N 474.631 2.291 30 10 JEEE CC(C)(C)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(C(N)=O)CCOCC2)CCO1 1302110378 CGKCRKOONBQSLI-IBGZPJMESA-N 452.559 2.350 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3csc(C)n3)n2C[C@@]2(C)CN(C)C2=O)c1 1358902839 AYJBZVAOGTZHFE-XMMPIXPASA-N 477.594 2.168 30 10 JEEE C#CCCCn1c(N2CCN([C@H](C)c3nc(CC)no3)CC2)nnc1[C@@]1(OCC)CCOC1 1358936472 OJWIHECZZHVBIH-WZONZLPQSA-N 457.579 2.172 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1CC1(N(C)C)CCCCC1)[C@H]1CCS(=O)(=O)C1 1358961072 RDAYENOQBGIXSD-FQEVSTJZSA-N 456.616 2.231 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCCSc1nccs1)[C@@H]1CCS(=O)(=O)C1 1358963968 QQFHKHUCDCXMFN-DLBZAZTESA-N 481.669 2.438 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCCCN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1358964393 YKRDKUIOEBHGQI-NHCUHLMSSA-N 463.648 2.065 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCCCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1358965499 WKKNPKGKEITJQW-HXUWFJFHSA-N 487.655 2.246 30 10 JEEE C#CCN(c1nnc(Cc2c[nH]c3ccccc23)n1CCN(C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1358966109 HZSURUNLUPVIGA-HXUWFJFHSA-N 468.627 2.317 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCC2CCOCC2)CC1 1359036033 KXUCNAMYFFHMMK-NRFANRHFSA-N 488.633 2.158 30 10 JEEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H]1c1nncn1C 1359128523 WRKAGTLMFXOGHI-LJQANCHMSA-N 471.587 2.411 30 10 JEEE C=C(Cl)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1359148728 AKNHYHVOLYKDFF-ZDUSSCGKSA-N 495.893 2.449 30 10 JEEE C=CCN1CC[C@H](N(C)C(=O)c2cn(CCC#N)nc2-c2ccc(OC)c([N+](=O)[O-])c2)C1=O 1448516138 JDVVGTFTYLYFPK-KRWDZBQOSA-N 452.471 2.239 30 10 JEEE CCC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1)OC 1500141970 GZPWKWMFSURDDM-QFIPXVFZSA-N 497.600 2.118 30 10 JEEE COCC[C@](C)(O)Cn1c(C(=O)N2CCCC2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1504747163 AQXFPAABUXSTIM-DEOSSOPVSA-N 452.559 2.342 30 10 JEEE COCCN(C)CCn1c(-c2cnccn2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1504855176 GGVIACLIFSAHBU-UHFFFAOYSA-N 481.992 2.165 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CCC3)n2C[C@@H]2CC(=O)N(CCOC)C2)c1 1507550996 TUUBKUJYBWHXGA-LJQANCHMSA-N 464.570 2.097 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@](C)(O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1507631199 MSAGQZNYAYGAHU-YKSBVNFPSA-N 465.579 2.183 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCCOC1 1507663156 UZSYJYJPNWBXTA-LJQANCHMSA-N 455.584 2.085 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1Cc1nnc(C)s1 1507704262 VKVNEIARTPMSPG-UHFFFAOYSA-N 450.366 2.340 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCOc2ccc(F)c(F)c2)CC1 1507716964 XKJAOOIAJDZYET-UHFFFAOYSA-N 460.529 2.309 30 10 JEEE C#CCN1CCN(c2nnc(CC(C)C)n2C[C@@H]2C[C@H]3COC[C@H]3N2C(=O)OC(C)(C)C)CC1 1507730174 NQAZFKHLRLNVFG-PCCBWWKXSA-N 472.634 2.256 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CCCNc2ccc(C(F)(F)F)cn2)CC1 1507732776 XQYZTPZXBQEKEY-KRWDZBQOSA-N 463.508 2.453 30 10 JEEE C=C(Br)Cn1c(-c2ccccc2C)nnc1N1CCN(CC(=O)NCCOC)CC1 1507785185 PNGNKLHAEUVQOZ-UHFFFAOYSA-N 477.407 2.047 30 10 JEEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1507838388 BFRGCWXPELCGGN-NHCUHLMSSA-N 476.599 2.326 30 10 JEEE C=CC1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CC(=O)NCC(F)F)CC1 1507898909 XJWLTGPBAGXKJB-UHFFFAOYSA-N 481.573 2.330 30 10 JEEE C=CCCOCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](CNC(C)=O)C1 1507965473 GRTHBDRKAAQZPK-PMACEKPBSA-N 492.621 2.284 30 10 JEEE C=CCCOCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@](C)(C(=O)NC)C1 1507966865 CZJKYEYCQXPTFP-DEOSSOPVSA-N 468.606 2.007 30 10 JEEE C=CCNC(=O)Cn1c(N2CCN3CCCC[C@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1508097044 GIGCWNVYNFSFPQ-OTWHNJEPSA-N 473.622 2.026 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2Cc2cccc(OCC(=O)N(C)C)c2)C1 1508117827 OKMYWELGULWWTM-HXUWFJFHSA-N 463.542 2.032 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C(F)(F)F)c1 1509949107 CAOHDWHLLKZNTL-WMLDXEAASA-N 486.520 2.416 30 10 JEEE COCCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2C#N)CC1 1518943109 AUUXNFJGAIBGGW-GOSISDBHSA-N 489.646 2.149 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccoc1 1519149559 ANRZCOVYIOXLRF-FQEVSTJZSA-N 455.540 2.346 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1CCCNS(=O)(=O)CC 1538984654 NAYNOFRGHXRKAI-AWEZNQCLSA-N 454.394 2.495 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2Cc2nccc(C(F)F)n2)c1 1539046493 TYFZXTZIVLTMQN-UHFFFAOYSA-N 494.506 2.233 30 10 JEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](c2noc(C3CC3)n2)C1 1539052742 ISHBSDVXARVMTC-WBVHZDCISA-N 461.592 2.336 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1CC[C@H](C)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 1539216028 MUKUZPYKBBUVPE-FPOVZHCZSA-N 456.616 2.231 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCOC(C)(C)C)CC1 1539452513 VAGQFIBYUVORFT-IBGZPJMESA-N 476.622 2.157 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@H](C)N2CCN(CC)CC2)CC1 1539469492 BARXBZDXMUCBDU-QFIPXVFZSA-N 491.684 2.499 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2ccc(F)cc2F)C1 1539517289 LILABPUBQXZUKZ-KXBFYZLASA-N 482.578 2.403 30 10 JEEE C#CCSCCn1c(N2CCNC(=O)[C@H]2CC)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1539530616 KCLMKKPQXDOIJT-IXDOHACOSA-N 462.620 2.130 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccccc1[N+](=O)[O-] 1539614889 DTPKUEKGXCMZCV-WDYCEAGBSA-N 478.575 2.414 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)CC(=O)N1CCOCC1 1539620941 ONLLIOYGTZNMDU-HNAYVOBHSA-N 493.406 2.312 30 10 JEEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@](C)(N2CCOCC2)C1 1539706989 ZHUYYTMDMFDLOT-DVECYGJZSA-N 476.622 2.464 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCOCC1(C)C 1540129149 SICCDBNVULSTTI-QFIPXVFZSA-N 498.653 2.355 30 10 JEEE C=CCn1c(-c2cc(Br)cn2C)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1540854596 RYGLGRXAGNOYIY-OAHLLOKOSA-N 464.412 2.269 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2c(F)cccc2Cl)C1 1540893160 YCNLVDLQLGZHBH-BEFAXECRSA-N 499.996 2.233 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(c2cccs2)CC1 1540902896 TWESTHRHMVIYLU-KRWDZBQOSA-N 451.618 2.161 30 10 JEEE CCS(=O)(=O)N(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1548326340 DOTWVPXLASHLEM-RTWAWAEBSA-N 472.615 2.494 30 10 JEEE COCCNC(=O)[C@H]1CN(C(=O)COC)CC12CCN(c1ccc(C#N)c(C(F)(F)F)c1)CC2 1548376009 DBCJRHJYKZPEES-LJQANCHMSA-N 482.503 2.031 30 10 JEEE C=CCNS(=O)(=O)c1cccc(C(=O)Nc2cccn(Cc3cccc(OC)n3)c2=O)c1 1558808444 LYAADIASRILPOX-UHFFFAOYSA-N 454.508 2.017 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CC1(C(N)=O)CCOCC1 1587598369 AOESQHKPQIDVCO-QGZVFWFLSA-N 455.559 2.481 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCO[C@H]1c1ccccc1 1587638474 FMPDUJZLNFLZGC-QESAQDPVSA-N 487.626 2.237 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1CCc1nccs1)[C@@H]1CCS(=O)(=O)C1 1588041602 YKURPSFEVAVCPP-QGZVFWFLSA-N 487.607 2.288 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H]1CCCO[C@@H]1C(C)C)[C@@H]1CCS(=O)(=O)C1 1588064320 FZIVEOSZZZUODU-XKCSPQBFSA-N 471.627 2.342 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCN1CCOC(C)(C)C1 1588124024 CBQRBEUGFJGEOU-UHFFFAOYSA-N 487.608 2.420 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccccc2COCCC)CC1 1588923588 FTMSREAGPYDFIW-QFIPXVFZSA-N 478.597 2.170 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2cccnc2OCC(F)(F)F)CC1 1588929456 AGCDTZLZJKCWJQ-SFHVURJKSA-N 492.502 2.132 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2C[C@@](C)(O)C2CC2)CC1 1588961870 PMZBDFJNAIGXSR-RUZDIDTESA-N 451.571 2.026 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@H](OCCOC)C1 1589731786 XDEUNGNICXOHQP-IBGZPJMESA-N 463.604 2.403 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(OC)CCOC1 1595303442 SWMFSWWEXXTARN-MBSDFSHPSA-N 481.594 2.031 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCCN(CC)C(=O)C1 1595477112 QWSWOXYTIHYBDS-MRXNPFEDSA-N 460.966 2.432 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC(NC(=O)NC2CCCCC2)CC1 1595545390 XDMNJWBNDZTKCP-FQEVSTJZSA-N 473.622 2.423 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CC1([S@@](C)=O)CCC1 1608517699 FTUIEHBITDSIJK-UUWRZZSWSA-N 483.642 2.306 30 10 JEEE C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1ncnn1CC(F)F)N1CCOCC1 1611498815 HGIHZLORGCBWHL-MRXNPFEDSA-N 471.516 2.030 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@H](OC)C(C)C 1613585518 IFAWUIOGZHNQDC-HXUWFJFHSA-N 468.606 2.461 30 10 JEEE COc1ccc(OC(F)F)c(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@@H](C)C#N)c1 1619305446 HARLYZYVZJHBJX-UONOGXRCSA-N 469.514 2.434 30 10 JEEE COc1ccc(OCc2nnc(N3CCC(CC#N)CC3)n2C[C@H]2CCS(=O)(=O)C2)cc1 1619316244 BGZFTEHAHNXXBW-GOSISDBHSA-N 459.572 2.430 30 10 JEEE C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)S(=O)(=O)c1cccc(Br)c1C#N 1621753175 HKUOFBHLICOITL-NSHDSACASA-N 458.359 2.350 30 10 JEEE C#CCN1CCCN(C(=O)c2cccnc2SCC(=O)Nc2ccc3c(c2)OCO3)CC1 1628350819 NWMDWBCZKQUUFC-UHFFFAOYSA-N 452.536 2.322 30 10 JEEE C=CCN1CCC(NC(=O)c2cccc(S(=O)(=O)NCc3ccc4c(c3)OCO4)c2)CC1 1628374904 CLUKPNGDBMTUHR-UHFFFAOYSA-N 457.552 2.274 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc(NS(=O)(=O)CC)c(C)c2)s1 1630682834 VPKIXOYZFNUDMC-UHFFFAOYSA-N 457.599 2.464 30 10 JEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCCN([C@H](C)c3ccccc3F)C2=O)c1 1636223493 DPCJZCWPIGIASK-IERDGZPVSA-N 457.527 2.219 30 10 JEEE C=C[C@@H](COC)NC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1 1658029431 UWMKXQRBKYZQSR-KRWDZBQOSA-N 452.577 2.020 30 10 JEEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)C[C@H]1CCN(C(=O)OCc2ccccc2)C1 1664903915 NLTLHVYPCWCSBT-IBGZPJMESA-N 450.557 2.252 30 10 JEEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1689878450 INXNLGRWSOZEDL-HXUWFJFHSA-N 486.642 2.494 30 10 JEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F 1689892691 LNBOARCCCOBSDE-CQSZACIVSA-N 458.510 2.372 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1CCCNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1689993622 INHHNJSUCRVXGW-SFHVURJKSA-N 493.655 2.472 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](c1ccccc1Cl)N(C)C 1690032694 HFBAMESFBBLQEF-YLJYHZDGSA-N 477.034 2.308 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCNS(C)(=O)=O 1690262579 GGSUUTGJHZAILQ-UHFFFAOYSA-N 473.603 2.188 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)Cc1ncnn1CC(F)F 1690278927 WEWPEMNRLFEYMD-UHFFFAOYSA-N 451.503 2.418 30 10 JEEE C=C(C)Cn1c(N2CCN(CC(=O)NC3CC3)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1690297826 HXYZJWOXTJDKER-IZAXUBKRSA-N 473.622 2.026 30 10 JEEE C=C(Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1)c1ccccc1 1690325812 IOMAOQYVDADIDT-JBACZVJFSA-N 475.615 2.186 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc(-c2ccc(F)cc2Br)n1CCS(=O)(=O)N(C)C 1692655617 HPAAKKLWRKTUSQ-LBPRGKRZSA-N 473.372 2.476 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@H]1CCOC[C@H]1C 1694347505 HHBUDXNEWHDHCU-IEBWSBKVSA-N 497.648 2.109 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1705477797 SAUAWFHKGJYCLT-AUSJPIAWSA-N 452.964 2.079 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1Cc1nnc(CC)s1)[C@H]1CCS(=O)(=O)C1 1705570017 JMLQKULTSHFOMX-SFHVURJKSA-N 470.624 2.266 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1CC(F)(F)CNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1705570731 QHGJGESYGPZWRA-MRXNPFEDSA-N 489.589 2.263 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCN(CC(F)(F)F)C1 1705602691 AKLMGUUZGLCSSM-QYZOEREBSA-N 453.509 2.349 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CCCN1CCCO 1705602757 BUYXVHSIXDXZTR-BDTNDASRSA-N 484.645 2.359 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CCN(C)CC(F)(F)F 1705627215 ZISIZWLPNYLMLI-UHFFFAOYSA-N 463.464 2.174 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H](c2ccc(F)cc2)N(C)C)CC1 1705634968 NUVDAMTVBOPLMZ-RCZVLFRGSA-N 470.593 2.127 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCCN(C)c2ccccc2F)CC1 1705648037 PLYZEKHBUMHQJR-UHFFFAOYSA-N 478.576 2.310 30 10 JEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2[nH]c3ccccc3c2CC1 1705652431 YZXAQKHJTVGOBU-MRXNPFEDSA-N 472.640 2.341 30 10 JEEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1705824850 BUDFOUVOMYJSAH-UHFFFAOYSA-N 458.523 2.053 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@@H](C)CC 1705904800 YZNSYIFBFNFVDI-DLBZAZTESA-N 450.584 2.371 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1705905345 SEXOLKYDAQLYLJ-LJQANCHMSA-N 454.550 2.053 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1705906890 RUFGBNOSWRCBSS-NTKDMRAZSA-N 455.559 2.160 30 10 JEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 1705907744 WAKLZLNEEWUCME-QGZVFWFLSA-N 491.522 2.499 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](C)O[C@H](C)C1 1705931201 IWMVTSZCWPIJRQ-BETUJISGSA-N 458.382 2.250 30 10 JEEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)Cc2cccc(OC)c2)CC1 1705944091 UWIYJIJPAZYZKM-FQEVSTJZSA-N 484.626 2.048 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@](C)(O)c1cc(C)oc1C)[C@@H]1CCS(=O)(=O)C1 1722364494 HOXGUPUSFOSGSV-HYBUGGRVSA-N 483.594 2.008 30 10 JEEE C#CCN(c1nnc(CC2CCCC2)n1C[C@@]1(N(C)C)CCSC1)[C@H]1CCS(=O)(=O)C1 1722370596 CUWWWRJNMOQOBN-UGKGYDQZSA-N 465.689 2.075 30 10 JEEE C=C(C)COCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1722529972 JHPZKSXQTRKRLT-MOPGFXCFSA-N 451.579 2.432 30 10 JEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCCN(C(=O)c2ccsc2)CC1 1722535388 HIIBNZRUUPTQRZ-UHFFFAOYSA-N 472.615 2.407 30 10 JEEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2ncccc2C#N)CC1 1722626819 INXDHBYJVQJSKC-UHFFFAOYSA-N 461.574 2.326 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](OC)c1ccccc1)C1CC1 1722651664 XVSQSDKSYDQWAH-UXHICEINSA-N 461.588 2.154 30 10 JEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 1722685287 CDTSGKSIJZVXEO-HKUYNNGSSA-N 477.562 2.035 30 10 JEEE C=CCn1c(COc2cc(C)ccc2C)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1722687988 APJNRQBHOXEAPL-UHFFFAOYSA-N 472.571 2.300 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCOc2ccc(F)c(F)c2)C1 1722719547 VVDDXLMSQPUKDG-DOTOQJQBSA-N 468.526 2.319 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1722724991 BTHNSFOFENLFSL-UHFFFAOYSA-N 464.551 2.389 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1722730320 ONLJBELNNKLMQZ-UHFFFAOYSA-N 494.577 2.301 30 10 JEEE C=CCSCCn1c(-c2cccn2C)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1722736533 ZNCKFTOGHVRYNZ-QGZVFWFLSA-N 452.650 2.311 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCN1CCOCC1(C)C 1722980061 FSPQYYYBGUFWKD-OALUTQOASA-N 489.621 2.190 30 10 JEEE COC(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CN(CC(C)C)CCO2)C1 1729777545 DTJQPCZLSROVAM-RBBKRZOGSA-N 482.585 2.085 30 10 JEEE COc1ccccc1Cc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@H](C)OC 1730297173 DDNAKNKYELAUTL-KRWDZBQOSA-N 464.574 2.153 30 10 JEEE COC1CCN(C(C)(C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C)C(=O)[C@@H]2C)CC1 1730375321 GAGBGKDXTCFHNM-IBGZPJMESA-N 495.628 2.285 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1Cc1nc(C)cs1)[C@@H]1CCS(=O)(=O)C1 1740618841 CJDDJAZALNAXQM-QGZVFWFLSA-N 457.581 2.394 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCCn1nc(C)cc1C)[C@@H]1CCS(=O)(=O)C1 1740620006 SLWFSKWUVSYQMO-OAQYLSRUSA-N 482.610 2.484 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1nc(C(C)C)cs1)[C@@H]1CCS(=O)(=O)C1 1740627958 UNACJRLIGNEBOW-DLBZAZTESA-N 463.629 2.427 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cn(C)c3ccccc23)n1CC1CCS(=O)(=O)CC1 1740683948 SJFJXHSEQVVZOI-UHFFFAOYSA-N 455.584 2.348 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2Cc2ccc(C)n(C)c2=O)CC1 1740690797 NVABBQVLPPZOBR-LJQANCHMSA-N 464.545 2.368 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC)n2C[C@H]2CCN(c3ccccc3OC)C2)CC1 1740705339 FVCMHBPVUXSZJV-IBGZPJMESA-N 450.587 2.341 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1NC(=O)CC1(C)C 1740731404 AYGJZATYYYDQSW-FUMQJTLXSA-N 486.617 2.493 30 10 JEEE C=C(Br)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C2CCOCC2)CC1 1740747252 CMLNRCCUZWJEEQ-UHFFFAOYSA-N 464.412 2.349 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCN(CCN2[C@H](C)CC[C@H]2C)CC1 1740960879 DZCVXVDKBKWYJR-DHIUTWEWSA-N 479.673 2.474 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccc3C)n2CCN2CCN(C(C)=O)CC2)C1 1740981535 PIIAKHOYSIUFSW-QHCPKHFHSA-N 452.603 2.123 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC(CC(=O)NC2CCCC2)CC1 1740991850 GRFDRAXBGTVJGC-LJQANCHMSA-N 479.647 2.048 30 10 JEEE CC(C)C[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@H]1C)N(C)C 1741423846 AMNPNPWMJOOXEX-UYAOXDASSA-N 453.591 2.372 30 10 JEEE CCOc1ccccc1OCc1nnc(N2CC[C@@](F)(C#N)C2)n1CCCS(C)(=O)=O 1746882313 HMEPOMOJQDXTSG-HXUWFJFHSA-N 451.524 2.132 30 10 JEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1748717846 JXEPYXGCUVSEDR-JLHGSKIFSA-N 463.604 2.087 30 10 JEEE C#CCN(c1nnc([C@@H](C)CC)n1CCCn1cc(Br)cn1)[C@H]1CCS(=O)(=O)C1 1748806008 YYCITSLHIKPXHN-RDJZCZTQSA-N 483.436 2.468 30 10 JEEE C#CCN(c1nnc(-c2ccc(OCCC(C)C)cc2)n1CC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1748809357 LLUCGXPCMAFASH-FQEVSTJZSA-N 487.626 2.085 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCO[C@@H](C)C1 1748831584 QPVIQAWLGHPYCI-OALUTQOASA-N 455.584 2.083 30 10 JEEE C=C(Cl)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1749257075 IELAWKXFJWGSFK-IBGZPJMESA-N 476.990 2.200 30 10 JEEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1CCN(C(C)=O)CC1 1749597642 KLSSYOOSGWJTEC-UHFFFAOYSA-N 479.585 2.089 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(F)cc2Br)n1CCCNS(C)(=O)=O 1760105495 QQFQZIAHOFAXFE-GFCCVEGCSA-N 458.357 2.244 30 10 JEEE C#CCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1760155270 USPIAGZZAIAJEM-OAQYLSRUSA-N 473.599 2.454 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1CCCOCC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1760181982 GGEOTZOLEWGPQB-IBGZPJMESA-N 452.621 2.036 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCN2CCCO[C@H](C)C2)CC1 1760254566 BFCUYUVKWFCUSY-GOSISDBHSA-N 490.450 2.292 30 10 JEEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1760279889 ARRVIXOAVAHTOH-HXUWFJFHSA-N 457.648 2.211 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1ccsc1)N(C)C 1760337010 LQUBGOMZQLEZMC-OALUTQOASA-N 482.676 2.378 30 10 JEEE C=C(C)COCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(NC(C)=O)CC1 1760357162 FZBQTDQZRINVEX-UHFFFAOYSA-N 468.606 2.150 30 10 JEEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](Cc2ccccc2)C1 1760357478 JRMUNOSBXIEOSW-YADHBBJMSA-N 489.642 2.273 30 10 JEEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 1760432220 HLRCQOFVWJQXFF-IAGOWNOFSA-N 454.641 2.233 30 10 JEEE C=CCN(C)c1nnc(CNC(=O)c2cccs2)n1Cc1cccnc1N1CCOCC1 1760467637 PALLJOXDACCXQY-UHFFFAOYSA-N 453.572 2.172 30 10 JEEE C=CCn1c(Cc2ccsc2)nnc1N1C[C@@H]2[C@@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1760511600 AIFFPOHHUMJBFP-IKGGRYGDSA-N 479.628 2.243 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCC(CN2C[C@H](C)O[C@H](C)C2)CC1 1760518518 BAKSVMSCOKMLEH-KDURUIRLSA-N 456.591 2.474 30 10 JEEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCC(N(CC)C(=O)OC(C)(C)C)CC1 1760528048 QOCXIACVNCKVLT-UHFFFAOYSA-N 450.584 2.343 30 10 JEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)c2ccccc2)CC1 1760565788 FDERLQAMGOZGTD-LJQANCHMSA-N 489.667 2.498 30 10 JEEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@@H]1CCN(CC(F)(F)F)C1 1767942135 AUOGCUWZAAKVMT-DLBZAZTESA-N 493.538 2.076 30 10 JEEE CSc1ccc(F)cc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N 1771424755 DZQBOLRNPOJZCL-RHSMWYFYSA-N 482.607 2.116 30 10 JEEE CC(=O)Nc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(CCCN3CCOCC3)C2=O)cc1 1863188324 ZABAJUWTNFNRHN-UHFFFAOYSA-N 473.533 2.431 30 10 JEEE C=CCOc1ccccc1[C@@H]1C(C(=O)N2CCN(C(=O)OCC)CC2)=C(N)Oc2c1c(C)nn2C 1865227834 RINGIPUYENSPSH-FQEVSTJZSA-N 481.553 2.289 30 10 JEEE CC[C@H](NC(=O)CCS(=O)(=O)c1ccc(OC)c(OC)c1)C(=O)Nc1ccccc1C#N 1866803256 OJJZRJPZJNYBEY-KRWDZBQOSA-N 459.524 2.273 30 10 JEEE C=CCn1cc(OCCCN2C(=O)c3ccccc3C2=O)c(=O)cc1CN1CCC2(CC1)OCCO2 1870375855 ORIPSUNFSOMSSM-UHFFFAOYSA-N 493.560 2.438 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)Nc2cccc(C(C)=O)c2)cn1CCOCCO 1870644707 FKGVDXIYZGFTAQ-UHFFFAOYSA-N 483.565 2.251 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)CSc2nc3ccc(C(=O)N(C)CCO)cc3[nH]2)nc1C 1872817142 RLWSNBHQIAVKNP-UHFFFAOYSA-N 489.579 2.466 30 10 JEEE C=CCn1c(C(=O)N2CCN(C(C)=O)CC2)cc2c(N(CC)CCc3ccncc3)ncnc21 1873562232 TZKRKHHWOOBXDE-UHFFFAOYSA-N 461.570 2.386 30 10 JEEE COC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)(C)C)C2)n1/N=C/c1cccc(OC)c1O 1874277038 ILORXKTXHVHNOX-GGPGUOJZSA-N 461.544 2.254 30 10 JEEE COc1ccc([C@H]2[C@@H](C(=O)N(C)C3CN(c4nccnc4C#N)C3)SCC(=O)N2C(C)C)cc1 1891340005 GCPWIJUIJRENLV-VXKWHMMOSA-N 480.594 2.098 30 10 JEEE CC(C)([C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)[S@@](=O)CC(=O)NCC#N 2019046736 UHBZSNCCFKAGKE-TXRXYBTHSA-N 483.546 2.145 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2247880956 OKXHKVXNSKUYAD-ZDUSSCGKSA-N 458.411 2.335 30 10 JEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H]1COC[C@H]1NC(=O)OC(C)(C)C 2255614531 KIYJUNRQIRSYHO-LSDHHAIUSA-N 452.382 2.378 30 10 JEEE CC1(C)OB(c2cnc(NC(=O)[C@](C)(NC(=O)C(F)(F)F)C(F)(F)F)s2)OC1(C)C 2256604752 FZCMGGYFTHTJNN-ZDUSSCGKSA-N 461.193 2.380 30 10 JEEE C[C@@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)N(C)Cc1sccc1B1OC(C)(C)C(C)(C)O1 2256614907 QFKQBNBRDOMDFJ-CJNGLKHVSA-N 454.398 2.280 30 10 JEEE CC(C)(C)OC(=O)N[C@H](C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)s1)C1COC1 2256640825 VYTQWUPWYZKISB-INIZCTEOSA-N 452.382 2.203 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(C)[C@@H](C)CCNC(=O)OC(C)(C)C 2267151883 LNYFXOZACCFYCK-AWEZNQCLSA-N 450.389 2.403 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)[C@H]2COC[C@H]12 2267287351 USRHEZPRQBZULF-KFWWJZLASA-N 464.393 2.411 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2C(NS(=O)(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)cc3)[C@H]2C1 2267714861 OHJYOKLRMQKIGW-IRXDYDNUSA-N 464.393 2.129 30 10 JEEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)[C@@H](C#N)C1 2267721598 QQPPUTCBHPGJMT-AWEZNQCLSA-N 483.421 2.181 30 10 JEEE C[C@H](C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)C1CCN(C(=O)OC(C)(C)C)CC1 2268705792 JISLVTVNTRXZKE-ZDUSSCGKSA-N 466.413 2.481 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@@]2(C(=O)N=c3nc(B4OC(C)(C)C(C)(C)O4)[nH]s3)C[C@H]2C1 2268720312 SPZCXTPYFJHYIU-YEJXKQKISA-N 464.397 2.235 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](C2CC(NC(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)C2)C1 2281927162 WLFQZOMCXHLRBQ-FHERZECASA-N 460.384 2.474 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 2282043902 QMAOVGXHURIYLK-QKNQBKEWSA-N 450.392 2.360 30 10 JEEE CC(C)(C)OC(=O)N[C@@]12C[C@H]1CN(S(=O)(=O)c1ccc(B3OC(C)(C)C(C)(C)O3)c(F)c1)C2 2282328582 ZOFZQSSBJWSWQS-RCDICMHDSA-N 482.383 2.413 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](C1)CN2S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282488585 ABRIWKLMQHVRGA-CABCVRRESA-N 499.464 2.213 30 10 JEEE CC(C)CN(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)C1CN(C(=O)OC(C)(C)C)C1 2282535037 JUNRBBKKLSAQJG-UHFFFAOYSA-N 462.400 2.437 30 10 JEEE Cc1c(C(=O)NC[C@@H]2CCC[C@H]2NC(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282543531 OZBILMGPHIMMHF-JKSUJKDBSA-N 462.400 2.451 30 10 JEEE Cc1nn(C)c(C(=O)N2C[C@@H]3C[C@@H]3[C@H]2CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2282568632 FVGXWCYWFIRCPH-HRCADAONSA-N 460.384 2.013 30 10 JEEE CC1(C)OB(c2ccc(O)c(C(=O)NC[C@H]3CCCCN3C(=O)C(F)(F)F)c2)OC1(C)C 2282983015 IMOLQRXSEHJELP-CQSZACIVSA-N 456.270 2.365 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2CCO[C@]2(C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C1 2284062741 IFHMEFIBCBOXOO-JLCFBVMHSA-N 479.408 2.085 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@H]1C 2285203908 DWQOEKNNJCSVQP-UKRRQHHQSA-N 455.286 2.361 30 10 JEEE CCc1nn(C)c(C(=O)NC[C@@H]2CC[C@H]2NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2287574996 TVHMDXNRHRGFGE-GOEBONIOSA-N 462.400 2.315 30 10 JEEE COc1ccc(OC)c([C@H]2C(=C(O)c3cnc(C)nc3C)C(=O)C(=O)N2CCCN(C)C)c1 2296627815 BPRSTCKFAVNVRQ-NRFANRHFSA-N 454.527 2.484 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC2CC(NC(=O)OCc3ccccc3)C2)n1C 2315516044 RLVCGJPCNQPLPH-UHFFFAOYSA-N 468.363 2.215 30 10 JEEE COCCn1cc(C#C[C@H](O)[C@@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)cn1 2340457705 MMYOIKYXYQWQBE-WIOPSUGQSA-N 454.571 2.411 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC[C@@]12CCN(C(=O)OC(C)(C)C)C2 2362352964 HNQBYHVUGBYABL-QHCPKHFHSA-N 460.384 2.335 30 10 JEEE COc1[nH]c(=NCC2(NC(=O)OC(C)(C)C)CCOCC2)ccc1B1OC(C)(C)C(C)(C)O1 2365348106 MPEUPFCCOSDHGE-UHFFFAOYSA-N 463.384 2.297 30 10 JEEE N#Cc1cnn(-c2ccc3ccccc3n2)c1NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 12239036 DGHWVMSPGGPBEP-UHFFFAOYSA-N 467.401 2.435 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)CS(=O)(=O)CC(=O)Nc3ccccc3OCC)cc21 19978100 WYDLSVBYGLUFFU-UHFFFAOYSA-N 472.519 2.233 30 10 JEEE COC(=O)c1ccc(/C=N/Nc2nnc(SCCC(=O)NCc3ccc(OC)cc3)n2N)cc1 20914174 MTEFEXUSFIKEFZ-AFUMVMLFSA-N 483.554 2.032 30 10 JEEE C=CCN1C(=O)N[C@@H](c2ccccc2Cl)C2=C1CN(CC(=O)NCc1cccnc1)C2=O 35965343 GAKOTIUOFPNMBI-NRFANRHFSA-N 451.914 2.400 30 10 JEEE C=CCn1c(SCC(=O)N2CCN(Cc3nnc(C)o3)CC2)nnc1-c1ccc(F)cc1 59795790 YBDKQWMZIYKBFJ-UHFFFAOYSA-N 457.535 2.398 30 10 JEEE C=CCn1nc(C)c(/C=N/Nc2nnc(SCC(=O)Nc3c(F)cccc3F)n2N)c1C 59829914 WIHRFZJPTVTMCU-NUGSKGIGSA-N 461.502 2.446 30 10 JEEE COc1cc(OC)c([C@@H]2c3c(nc(N4CCCC[C@@H]4C)[nH]c3=O)NC(=O)[C@@H]2C#N)cc1OC 72444457 SUYSVSDCRASOCY-WRSAYESZSA-N 453.499 2.398 30 10 JEEE CO/N=[N+](\[O-])CC(=O)N1[C@H](C)CN(S(=O)(=O)c2ccccc2)[C@@H]1c1cccc([N+](=O)[O-])c1 103936681 YMYFKDXMIMAUOP-XDLJLMFPSA-N 463.472 2.039 30 10 JEEE NS(=O)(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCO4)[C@H]2c2ccncc2)cc1 170359151 YHUIUNZWMYFBQE-OAQYLSRUSA-N 477.498 2.447 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(C(=O)c4ccc(OC)c(OC)c4)CC3)cc2C1=O 514080492 SQQGUZJEKUGDIN-UHFFFAOYSA-N 463.490 2.084 30 10 JEEE CC1(C)OB(c2ccc3c(c2)N(S(=O)(=O)CCCN2C(=O)c4ccccc4C2=O)CC3)OC1(C)C 712971520 BTZDPPDQUVVENL-UHFFFAOYSA-N 496.394 2.364 30 10 JEEE CC#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC[C@H](O)C(=O)O 757210450 MCSWOYBNMZBMRV-VXKWHMMOSA-N 450.491 2.259 30 10 JEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C[C@H]2COCCN2C(=O)OC(C)(C)C)cc1 1264609480 TVYXDXCUYVPWQV-KRWDZBQOSA-N 453.561 2.458 30 10 JEEE C#CCCCCn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 1286321795 BENMGHNUFNXLRL-BHDDXSALSA-N 456.635 2.402 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccccc2Br)n1CCC(=O)N1CCOCC1 1286423270 IFXUDOFLXOSPNA-UHFFFAOYSA-N 470.371 2.419 30 10 JEEE C#CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1C[C@H]1CCN(CC(F)(F)F)C1 1286467335 VFXCJSVYHGJLNA-SFHVURJKSA-N 475.519 2.487 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2C[C@@H]2C[C@@H]3COC[C@H]3N2C(=O)OC(C)(C)C)n1 1286470506 XSMIYISJGMUXNU-BAGYTPMASA-N 499.616 2.094 30 10 JEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)c2ccccc2OCC)CC1 1286493884 HKPBTYUFQBRKJY-UHFFFAOYSA-N 496.637 2.242 30 10 JEEE C#CCSCCn1c(N2CCC[C@H](N3CCCC3=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1286512675 MGSHEDCWCSHAJU-WMZHIEFXSA-N 461.632 2.276 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)CCC(=O)NC 1286555084 JQQRVJOJSAGYOP-FOIQADDNSA-N 451.531 2.147 30 10 JEEE C=C1CCN(c2nnc(Cc3ccsc3)n2CCS(=O)(=O)N2CCSCC2)CC1 1286649688 WKSJJVZXZVXUOK-UHFFFAOYSA-N 453.659 2.465 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1286815743 ADJOFTNZPUSGGN-XUVXKRRUSA-N 487.626 2.351 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1286816230 GOXUIVVFZNAFNL-MRXNPFEDSA-N 479.006 2.240 30 10 JEEE Cc1nc(C)c(CCn2c(C(=O)NC(C)C)nnc2N2CCN(c3cc(C#N)ccn3)CC2)s1 1290361120 BIJSOMDBRYVQAL-UHFFFAOYSA-N 479.614 2.326 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC1(CCOC)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1300495088 CMOOZTYVIABUDZ-WOJBJXKFSA-N 464.632 2.396 30 10 JEEE C#CCN(c1nnc(Cc2c[nH]c3ccccc23)n1C[C@@H](CC)OC)[C@H]1CCS(=O)(=O)C1 1300501103 GXCGWNSGNOBLDH-RBUKOAKNSA-N 455.584 2.402 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(OCC(F)(F)F)nc1 1300631454 QKRLIJZYVSEFKZ-INIZCTEOSA-N 471.505 2.219 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccc(COCC(F)(F)F)c2)CC1 1300681706 ZEHWCFJQZBZCQQ-UHFFFAOYSA-N 478.519 2.299 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cccc(C(F)(F)F)n2)CC1 1300683120 WTARTQROGPNLLQ-UHFFFAOYSA-N 470.459 2.143 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@](C)(O)c2cccs2)CC1 1300719595 HVNYEEJYVQTJBO-QHCPKHFHSA-N 452.584 2.219 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CCc2ccc(OC)c(OC)c2)CC1 1300727112 WAHYZSLOCAIXBS-UHFFFAOYSA-N 488.592 2.490 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccc2OC)nnc1N1CCN(S(C)(=O)=O)CC1 1300879471 DPCDATJOSOOJTO-FXAWDEMLSA-N 461.588 2.017 30 10 JEEE C=C(Cl)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)Nc2c(C)cccc2C)CC1 1301036498 FPHORBFKMSIKKM-GOSISDBHSA-N 471.993 2.359 30 10 JEEE CCOc1ccnc(N2CCCN(c3nnc(-c4cccc(C#N)c4)n3CC(C)(C)O)CC2)n1 1314228664 FRNWVYNVVIUERH-UHFFFAOYSA-N 462.558 2.493 30 10 JEEE C=CCN1C(=O)c2ccc(-c3nnc(-c4cccc(S(=O)(=O)N5CCOCC5)c4)o3)cc2C1=O 1330125757 BLMMHYILXYITSU-UHFFFAOYSA-N 480.502 2.207 30 10 JEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1CC1(O)CCCC1)[C@H]1CCS(=O)(=O)C1 1358964546 AXLWJMSSRBTYFZ-IBGZPJMESA-N 463.003 2.454 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1Cc1ccc(C#N)o1)[C@H]1CCS(=O)(=O)C1 1358968110 ZOHVZHZMJRDKJM-KRWDZBQOSA-N 469.498 2.136 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2OC)n1CC1(O)CCN(C(C)C)CC1 1358974034 ORSWTZKMZFTUKH-UHFFFAOYSA-N 451.571 2.270 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCCOc2ccc(F)cc2)CC1 1359044022 RRKCULWKJZCUFV-UHFFFAOYSA-N 465.533 2.253 30 10 JEEE C=C(Br)Cn1c(COc2ccccc2OC)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1359087857 SIQUMBFGOAEHDZ-HUUCEWRRSA-N 481.347 2.135 30 10 JEEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(C)(C)N1CCOCC1 1359233070 PMWVOAVSRFPRDR-UHFFFAOYSA-N 461.636 2.280 30 10 JEEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)Cc1ccccc1O 1359300665 HZMDHMWBQABPKU-UHFFFAOYSA-N 462.558 2.096 30 10 JEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1(C)C 1443988798 GXEWNQSEZCCEHG-HNNXBMFYSA-N 450.561 2.083 30 10 JEEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCC2(N3CCOCC3)CCN(C)CC2)cc1 1465398881 OMRXLULWYBQZNW-UHFFFAOYSA-N 455.603 2.419 30 10 JEEE CCC(O)(CC)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1497431192 HIESUZPWVONOHI-FQEVSTJZSA-N 452.559 2.195 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2Cc2ccc(OC)nc2)c1 1507549819 PSLMUKWLWKKUDW-UHFFFAOYSA-N 456.510 2.187 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCCO3)n2CCS(=O)(=O)CC)c1 1507550917 SAIZOTNZIGKNBA-LJQANCHMSA-N 459.572 2.011 30 10 JEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(F)(F)C1(OC)CCOCC1 1507616561 KWRVTBBBSPTIMB-QGZVFWFLSA-N 499.559 2.487 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccc(N(C)C)c(F)c1)[C@H]1CCS(=O)(=O)C1 1507639302 XIMKVQZZGLBNCZ-FXAWDEMLSA-N 461.563 2.010 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccc(F)cc1)N(C)C 1507668595 ADODMLQQZVXOSK-FPOVZHCZSA-N 457.575 2.085 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C)CNC(=O)OC(C)(C)C)CC1 1507885210 VAPZEKUAXJOWMB-DLBZAZTESA-N 453.609 2.497 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(Cn2cccn2)CC1 1507916809 UXCJINGHEGAHAN-HXUWFJFHSA-N 491.662 2.326 30 10 JEEE C=CCN(CC=C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1NC(=O)CC1(C)C 1508017730 HBDKLUUWNXHACB-QGZVFWFLSA-N 457.604 2.331 30 10 JEEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1508090296 GUIQNLHSQVFHCS-IRLDBZIGSA-N 468.602 2.015 30 10 JEEE C[C@H](CC#N)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCCN1CCN(c2ccncc2)CC1 1509938180 DPZXUPTUHVJQKS-HXUWFJFHSA-N 488.600 2.271 30 10 JEEE COC1CCN(C(C)(C)Cn2c(C(=O)Nc3ccccn3)nnc2N(C)C[C@H](C)C#N)CC1 1518589783 ABUCFGCLKLEQAE-QGZVFWFLSA-N 454.579 2.411 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H]1CCCN1S(C)(=O)=O 1538986584 NFTIQLGKVMEYTH-GOEBONIOSA-N 451.980 2.489 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1CCCn1ccnn1)[C@@H]1CCS(=O)(=O)C1 1539211301 HEDVKHKKWSGIMA-MRXNPFEDSA-N 477.953 2.046 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1CCC1CC(OC(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1539215794 JHODHCGBMNZPJZ-JLAWEPINSA-N 472.615 2.346 30 10 JEEE C#CCN(c1nnc(COc2ccccc2CC)n1C[C@](C)(O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1539231200 SYLRUHHKOZMHIR-YKSBVNFPSA-N 472.611 2.207 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CC(F)(F)C1(OC)CCOCC1 1539292001 YRUUOFQAPHGHKF-UHFFFAOYSA-N 472.496 2.219 30 10 JEEE C#CCN(CC#CC)c1nnc(COc2ccc(Br)cc2)n1CCCn1cnnn1 1539334218 WYKQDYBWXBCSOZ-UHFFFAOYSA-N 469.347 2.159 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)CN1CCCCC1 1539669176 MRRRAZSORPSQLH-UXHICEINSA-N 468.668 2.135 30 10 JEEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)CC(C)(C)C1 1539751256 JJHLBWNGAXEJDK-ZWKOTPCHSA-N 455.625 2.076 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCC(C)(C)C)CC1 1539751567 PMWBAQLNMJTZQR-LJQANCHMSA-N 453.653 2.331 30 10 JEEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1539965960 CNDLXDKHNOUHAY-LEWJYISDSA-N 464.680 2.141 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1540866077 BUISHAQOBODLFE-UHFFFAOYSA-N 470.965 2.304 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1540875535 OYSUTRKWDYLXRM-QHCPKHFHSA-N 459.522 2.073 30 10 JEEE CC[C@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@@H](C)N1CCN(CC)CC1 1545545987 HZVPBCQSQQDWEF-HBMCJLEFSA-N 480.665 2.194 30 10 JEEE CCN1CCN(C[C@@H](C)Cn2c(C)nnc2N2CCN(Cc3ccc(C#N)cc3)CC2)CC1 1547724197 AMFBZJGJDWHGPG-OAQYLSRUSA-N 450.635 2.054 30 10 JEEE N#Cc1ccc(N2C[C@H](C(=O)Nc3ccc([C@H]4CC(=O)NC(=O)N4)cc3)CC2=O)cc1Cl 1585502538 DPEACICPNRSJTE-RDTXWAMCSA-N 451.870 2.474 30 10 JEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2C[C@H](CC(=O)N(C)C)c3cc(Cl)ccc32)c1 1586611634 WELKXRAMZASFEQ-INIZCTEOSA-N 459.955 2.474 30 10 JEEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](N2CCCC2=O)C1 1587861030 GDMUSESZXKLVLV-OALUTQOASA-N 472.590 2.201 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H](c1c(F)cccc1F)N(C)C)[C@H]1CCS(=O)(=O)C1 1588073755 DBTUBKDUCMGXLN-PWIZWCRZSA-N 493.580 2.337 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCO[C@@H]1CCOC1 1588233585 LPDPWDYJYTWUNL-RTWAWAEBSA-N 487.601 2.245 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@@H]2CCOC2)CC1 1588954300 DPXPBWSJRZJESH-FQEVSTJZSA-N 451.571 2.074 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCN(c2nccc(OCC)n2)CC1 1589570763 WEOYJQWAHNADNA-WIYYLYMNSA-N 457.579 2.311 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1 1593636757 RNYAGKOXELWIEY-KRWDZBQOSA-N 498.650 2.071 30 10 JEEE C=CCN(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1C[C@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1594829059 BEBXPUHIQKGFTF-BZSNNMDCSA-N 460.579 2.161 30 10 JEEE C=CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1(S(C)(=O)=O)CCC1 1594943337 OZECMOCZBAXGSF-UHFFFAOYSA-N 456.572 2.264 30 10 JEEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCCN1CCC[C@@H]1CO 1594962949 OERMTPCHASUWEU-WOJBJXKFSA-N 478.638 2.446 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCSCC1 1595303759 ZBNMNVBUQZMUHM-LJQANCHMSA-N 496.678 2.274 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N(C)Cc1ccc(C(=O)NC2CC2)cc1 1595530227 XJPAXQVWEKVEHM-UHFFFAOYSA-N 459.554 2.479 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1595804804 GOMOUQWZFIAJNJ-UHFFFAOYSA-N 495.584 2.202 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCC(C(=O)NCc2ccc(C)c(F)c2)CC1 1595805904 YDGIRORBZZGESW-UHFFFAOYSA-N 477.606 2.422 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1C[C@H]1CC1(C)C 1611704413 AOVNFJSMCGKTAN-DOTOQJQBSA-N 475.594 2.272 30 10 JEEE CCS(=O)(=O)N(C)CCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@](C)(C#N)C1 1617352424 BBCSKFFRLCMFPG-NRFANRHFSA-N 493.659 2.071 30 10 JEEE COCCN(C)CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@@H](C#N)C1 1619881722 CJCFINIKDSYPNX-NRFANRHFSA-N 456.591 2.462 30 10 JEEE C#C[C@H](NC(=O)[C@@H](NS(=O)(=O)c1cccs1)[C@@H](C)O)c1ccc(Br)cc1 1625078057 OWEPYAOXSALNQT-WPGHFRTFSA-N 457.371 2.029 30 10 JEEE C#CCC1(O)CCN(C(=O)CCc2nc3c(c(O)nc(=O)n3CCCC)n2CC(C)C)CC1 1643512994 OBBWGFLJMTUBAO-UHFFFAOYSA-N 457.575 2.064 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCO[C@@H](C2CCN(S(=O)(=O)c3ccc(C#N)nc3)CC2)C1 1662493757 FRVJBTAHDYZYRP-QFBILLFUSA-N 450.561 2.426 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1ccc(C)n(C)c1=O 1689825742 CHOFOFJVRBHXTN-OAHLLOKOSA-N 452.946 2.375 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C)n2CC[C@@H](N2CCOCC2)C(F)(F)F)c1 1689868310 CGQCGVJCAARJSS-LJQANCHMSA-N 464.492 2.296 30 10 JEEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1(S(C)(=O)=O)CCC1 1689978092 LXXVPFDPCSEWEC-IYBDPMFKSA-N 451.593 2.086 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCN1CCOC[C@H]1C 1690017685 JIFYANAIIPZPMW-NHCUHLMSSA-N 470.618 2.186 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H](C)CN1CCCC1 1690036762 AICBZWMZFOQNSC-NRFANRHFSA-N 482.654 2.390 30 10 JEEE C#CCN(CC)c1nnc(-c2cc(Br)c[nH]2)n1CCCN(CC)S(C)(=O)=O 1690062211 HGDQWHPCTWAGHM-UHFFFAOYSA-N 457.398 2.167 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1Cc1ccnc(OC2CCOCC2)c1 1690102738 UATFTMKMFOEJFD-HXUWFJFHSA-N 455.559 2.259 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H](C)c2nccs2)CC1 1690114915 LJUQMNXJPFEUOJ-KRWDZBQOSA-N 470.624 2.364 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3OCC)n2CCNC(=O)C(C)(C)C)CC1 1690133764 SKVZURPPGJJQRE-UHFFFAOYSA-N 468.602 2.173 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cc(Cl)ccc2OC)CC1 1690135533 YTBUQEGRUBWZNB-UHFFFAOYSA-N 472.977 2.092 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCC2CC2)CC1 1690139255 FMLBAPQJGMTAOQ-UHFFFAOYSA-N 455.584 2.115 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCCOc2ccc(C)cc2)CC1 1690143867 FIIUVJWCIGZWIA-QFIPXVFZSA-N 478.597 2.363 30 10 JEEE C#CCSCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1690163314 ASBFVARYLKLDRU-QGZVFWFLSA-N 458.975 2.438 30 10 JEEE C#CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(CC(=O)NC)CC1 1690165656 GIJRHMWRCPBZSH-UHFFFAOYSA-N 455.584 2.435 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCN(CCOC)C(=O)C1 1690253470 QYQYSLIPQZZLLR-WZONZLPQSA-N 473.549 2.272 30 10 JEEE C=C(C)Cn1c(Cc2cccnc2)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1690290643 SPMQSWUYPNDMIJ-UHFFFAOYSA-N 452.584 2.492 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](c2nc(C)no2)C1 1690432521 FYLWBIOVYHXVHP-ZWKOTPCHSA-N 493.634 2.289 30 10 JEEE C=CCCOCCn1c(N2CCC(C(N)=O)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1690511281 VYNQYWBMYMAEIW-HDICACEKSA-N 462.595 2.343 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1690660725 NQJUSHHMEILPTO-CYFREDJKSA-N 487.626 2.352 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC(C)(OC)C1 1690724173 JLCITUMJCGGNAD-UHFFFAOYSA-N 483.635 2.219 30 10 JEEE CC[C@H](C)[C@](C)(O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@H](C#N)C1 1693928030 FYGNOFLSEAKEMQ-QXATTWAWSA-N 460.966 2.387 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2CCn2cc(Br)cn2)c1 1705507014 OUXOFVYHTWCOCA-QGZVFWFLSA-N 498.385 2.497 30 10 JEEE C#CCCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(C(=O)COC)CC1 1705515707 KQERQEDMZJMNIX-HXUWFJFHSA-N 488.633 2.491 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CCc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1705561446 QJUYYDFSLXTPBF-QPPBQGQZSA-N 490.601 2.327 30 10 JEEE C#CCN(c1nnc(COCC)n1C[C@@H]1[C@H](C)CCN1C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1705568649 SLLMYLUOKMHIAT-CEXWTWQISA-N 495.646 2.087 30 10 JEEE C#CCN(CC#CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCOCCN(C)C 1705599497 ZYBPAGSJCLJDRQ-UHFFFAOYSA-N 472.634 2.434 30 10 JEEE C#CCN(CC)c1nnc([C@H](C)OCCOC)n1C[C@@H]1C[C@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1705605002 YUWLDUGFZCHYLA-LWYYNNOASA-N 477.606 2.486 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(C(N)=O)CCOCC1 1705619246 LIFBHRZEUBEEOK-AREMUKBSSA-N 499.587 2.380 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](c2cccs2)N(C)C)CC1 1705649485 ZNJLGJBVOFVMQA-IBGZPJMESA-N 466.615 2.009 30 10 JEEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1Cc2ccoc2CC(C)(C)C1 1705662145 RFUDPMBSCLXWLT-LJQANCHMSA-N 493.655 2.159 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(N2CCOCC2)c1 1705711066 ZLFPZTFZZJKYPI-GOSISDBHSA-N 462.620 2.176 30 10 JEEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1705786371 MICYMSNCQBFHLN-KKSFZXQISA-N 455.625 2.265 30 10 JEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1Cc2cccc(Br)c2C1 1705890646 AMBNLJXRTUPIGF-MRXNPFEDSA-N 468.377 2.080 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCOC(C)(C)[C@@H]1C 1705930430 MZNYYQHVZIVLCC-INIZCTEOSA-N 496.033 2.466 30 10 JEEE CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2cccnc2)CC1 1708632987 HUMYXBZPHPYVIL-FQEVSTJZSA-N 472.597 2.491 30 10 JEEE CCN(CC)C(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCC(=O)N(C)C)CC1 1710002748 FUCDWNTWJYJDBA-UHFFFAOYSA-N 466.590 2.269 30 10 JEEE COCC[C@](C)(O)Cn1c(CCc2ccccc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1712325874 AVPQTEHLDOXERY-FNZWTVRRSA-N 490.612 2.228 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1CC1CCS(=O)(=O)CC1 1722275849 BRICDSAVOIUROF-CYBMUJFWSA-N 454.394 2.329 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2C[C@@H]2CCC[C@H](O)C2)c1 1722307872 XYTIKQAYTQZZQM-CTNGQTDRSA-N 464.570 2.008 30 10 JEEE C#CCN(c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCCNC(C)=O)[C@@H]1CCS(=O)(=O)C1 1722360849 WNGMAUSCCDTHCX-OAQYLSRUSA-N 471.627 2.396 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@H](C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 1722361798 PIOKBSIHJUIWRW-ICSRJNTNSA-N 456.616 2.007 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1722362058 MHWSLIZEWHIWFD-RDJZCZTQSA-N 464.975 2.270 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@]1(N(C)C)CCSC1 1722380762 XMRAORLSSKGSQI-RUZDIDTESA-N 475.622 2.185 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@H](c1c(F)cccc1F)N(C)C 1722419034 LSAIYJMOYHJRTO-IBGZPJMESA-N 460.529 2.181 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2CC2([S@](C)=O)CC2)CC1 1722449873 SEXWKKGHLHLSES-XIFFEERXSA-N 469.611 2.042 30 10 JEEE C=CCCCn1c(N2CCN(CC(=O)N3CCCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1722623834 YZOOHLIMLWAGKQ-XMMPIXPASA-N 460.623 2.029 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N1C[C@H](C)O[C@@H](COC)C1 1722693503 QBGWRCBBCOKDEY-DZGCQCFKSA-N 482.354 2.389 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2nnc(C(C)(C)C)s2)C1 1722719668 YLOPWGSUZVEKDK-LSDHHAIUSA-N 466.633 2.159 30 10 JEEE C=CCSCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCO[C@H](C#N)C1 1722742996 MVPPXBCEGLASBI-JOCHJYFZSA-N 467.643 2.291 30 10 JEEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 1729220544 ALPCNRBGPDEZER-OAQYLSRUSA-N 482.614 2.411 30 10 JEEE COC[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCN(C(C)C)CC2)C1 1730580185 AEAGWCNQUNUBEE-NRFANRHFSA-N 468.602 2.437 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCNC(=O)c1ccco1 1740551194 SRQUEURSSLBNCA-MRXNPFEDSA-N 459.510 2.156 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H](C)N1CCC[C@@H](C)C1 1740683685 CMNLQOLKTRCDLS-WOJBJXKFSA-N 477.613 2.398 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2CCCCn2cc(Br)cn2)CC1 1740701127 VODPBQPQHCGGPC-GOSISDBHSA-N 462.396 2.324 30 10 JEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)Nc2ccc(C)cn2)CC1 1740710583 ZXXNWWUZFHFLGA-UHFFFAOYSA-N 481.626 2.439 30 10 JEEE C#CCSCCn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1740720274 ZLBHDSGPBGFHSE-NRFANRHFSA-N 470.618 2.117 30 10 JEEE C#CCSCCn1c(COc2ccccc2OC)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1740722412 IOMOTHVFPXWRBN-VQTJNVASSA-N 471.627 2.389 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCC(NC(=O)COC)CC1 1740761897 ZQFLMXVDANLWAW-VGOFRKELSA-N 474.631 2.346 30 10 JEEE C=CC1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCS(=O)(=O)NC)CC1 1740842499 BSKQUBFOFBMSLF-CALCHBBNSA-N 468.624 2.000 30 10 JEEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)c2c(F)cccc2F)CC1 1740880331 FHPTZBGLZSUZSF-UHFFFAOYSA-N 476.528 2.250 30 10 JEEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1740889157 WIQKAAHSOUCPMO-UHFFFAOYSA-N 461.574 2.326 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC(C(=O)Nc2ccccc2)CC1 1740961589 FPMVJHCIIWWABA-UHFFFAOYSA-N 459.554 2.421 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCCC2(CCOCC2)C1 1740993940 GKQJKPZGSXKMSO-UHFFFAOYSA-N 462.620 2.138 30 10 JEEE CCc1nn(C)c(OC)c1Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1744510481 HFPRHSNKFHXLCZ-XMMPIXPASA-N 462.558 2.132 30 10 JEEE CCCNC(=O)c1cccc(Cn2c(C)nnc2N2CCN(c3c(C#N)c(C)nn3C)CC2)c1 1745755595 DSTLVMOZBKCYAP-UHFFFAOYSA-N 461.574 2.015 30 10 JEEE CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCOC[C@H]2C)CC1 1746134682 DQFVWXVHJGVOPY-NFBKMPQASA-N 479.629 2.480 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C 1748671863 NSGXKIKMYQDVTO-FJIDUMEYSA-N 465.620 2.284 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CC(F)(F)Br)[C@@H]1CCS(=O)(=O)C1 1748809366 LTNAAYBCBLICER-OAHLLOKOSA-N 484.326 2.431 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@](C)(OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1748820030 XRKUYQOKDFTBBJ-RDPSFJRHSA-N 472.611 2.319 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C(C)(F)F)c1 1748928877 ACXWQNVCFXVCQP-SFHVURJKSA-N 467.542 2.231 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2CCCN2CCCCC2)CC1 1748999690 BUONFFICHVHTDK-UHFFFAOYSA-N 452.603 2.497 30 10 JEEE C=CCC(C)(C)Cn1c(Cc2cccnc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1749371132 YTPIVCVNEBRZTG-UHFFFAOYSA-N 453.591 2.440 30 10 JEEE C=CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1C[C@H]1CCCCS1(=O)=O 1749600821 PPZCAUJGQHAUOA-LJQANCHMSA-N 458.588 2.123 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccc(C(OC)OC)c2)C1 1749713704 WXXVBPSKRASZQW-VQTJNVASSA-N 476.599 2.301 30 10 JEEE C[C@H](Cc1cccs1)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1751112177 CASXCGOQNVVUIT-VQIMIIECSA-N 478.644 2.291 30 10 JEEE C#CCCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(CCOC)C(=O)C1 1760137199 GNGCYGNQINLSAG-FQEVSTJZSA-N 488.633 2.491 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCN1CCN(C)C(C)(C)C1 1760245317 ZCSRAQBHJBJALI-UHFFFAOYSA-N 476.629 2.447 30 10 JEEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1760314787 ZEHOFZNHEQWMIH-UAGQMJEPSA-N 451.369 2.087 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C1CCN(CCC)CC1 1760315796 JALDCOQHJKZTCC-NSHGMRRFSA-N 468.668 2.180 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](OC)c2ccccc2)CC1 1760402857 WUSLNQNBGAIRBH-RTWAWAEBSA-N 475.615 2.401 30 10 JEEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](c2nc(C)no2)C1 1760427960 MDGSCJKWXZWBOK-ZWKOTPCHSA-N 479.607 2.043 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1760527546 ADKREVKRUHZHLQ-YOEHRIQHSA-N 469.464 2.324 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCS(=O)CC1 1760548463 GZLZGKJUGRXNOE-SFHVURJKSA-N 466.629 2.204 30 10 JEEE CCN(CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](COC)C1)S(C)(=O)=O 1766866540 GKHWAQZEAYMYMS-IBGZPJMESA-N 460.604 2.351 30 10 JEEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccc([N+](=O)[O-])cc1 1862609211 HNRDGUIPCGZBAH-HXUWFJFHSA-N 467.434 2.080 30 10 JEEE COc1cc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2CCNC(C)=O)cc(OC)c1O 1862762053 ZYXSLNNFMWRHQY-IBGZPJMESA-N 485.449 2.032 30 10 JEEE CC[C@@](C)(NC(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1)C(=O)Nc1ccccc1C#N 1866593501 DPIHTYJQWRWCMK-XMMPIXPASA-N 483.594 2.032 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)Nc2ccc(OC)cc2OC)cn1CCNC(C)=O 1870394159 GTPPHPWTPZSCRC-UHFFFAOYSA-N 498.580 2.193 30 10 JEEE C#CCOc1cn(C[C@H]2CCCO2)c(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1=O 1870560549 BAUFRZIYXHQDCP-JOCHJYFZSA-N 452.511 2.270 30 10 JEEE CCCCCCCCn1cc(OCC(=O)OCCOCC)c(=O)cc1CN1CCN(CCO)CC1 1870671252 WNWFUWHZSKDXDV-UHFFFAOYSA-N 495.661 2.277 30 10 JEEE C=CCN(CC=C)C(=O)c1cc2c(NCCc3ccc(S(N)(=O)=O)cc3)ncnc2n1CCOC 1875228929 AYLJGSIMEDHUSF-UHFFFAOYSA-N 498.609 2.194 30 10 JEEE CC(C)N1C(=O)CS[C@H](C(=O)N2CCC(C(=O)NC3CC3)CC2)[C@@H]1c1ccc(C#N)cc1 1890192924 KOYQHTNNPPOQSY-VXKWHMMOSA-N 454.596 2.469 30 10 JEEE CCN1CCN(CC#CCOC2CCN(C(=O)C34C[C@H]5C[C@@H](CC(NC(C)=O)(C5)C3)C4)CC2)CC1 1890399546 ZKPOEPVRFHVPRC-QULSYZCUSA-N 484.685 2.110 30 10 JEEE CC(C)N1C(=O)CS[C@@H](C(=O)NCCN=c2ccc(-n3cccc3)n[nH]2)[C@@H]1c1ccc(C#N)cc1 1891448794 NEGIITRCFYKQMT-BJKOFHAPSA-N 489.605 2.183 30 10 JEEE CC(C)(C)OC(=O)N1Cc2nncn2C[C@H]1C(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1 2180981585 AMPFIZLEXVDDMM-INIZCTEOSA-N 459.356 2.188 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1CCN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2255754287 XJVWRLFPZPDFMS-INIZCTEOSA-N 452.382 2.274 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](CNC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)CO1 2267167495 GWANYMDBUYTEAO-UONOGXRCSA-N 467.397 2.102 30 10 JEEE CON(CCNC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2267361675 GJGZXMOCZPPCLN-UHFFFAOYSA-N 474.360 2.202 30 10 JEEE CO[C@H]1C[C@H](CNC(=O)OC(C)(C)C)N(C(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)C1 2267549951 SHBYVLODTPCMFU-KGLIPLIRSA-N 467.397 2.197 30 10 JEEE CC(C)(C)OC(=O)N1CC(N2CCC[C@H]2C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C1 2271794256 GISKEYRAGCNXIR-UNMCSNQZSA-N 453.587 2.307 30 10 JEEE CC1(C)OB(c2ccc(F)c(C(=O)NC[C@H]3CNCCN3Cc3ccccc3)c2)OC1(C)C 2281782660 ZMYAEEMHWAAISS-HXUWFJFHSA-N 453.367 2.329 30 10 JEEE Cc1c(C(=O)N[C@@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281989109 VNSWKLHUEMOHOS-JKSUJKDBSA-N 462.400 2.451 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)N[C@]1(CO)CCN(C(=O)OC(C)(C)C)C1 2282143489 WVWVVLIUEXWHEH-XMMPIXPASA-N 460.380 2.396 30 10 JEEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1N(C)C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2282192622 ZUOJVCBWDXXGTO-NVXWUHKLSA-N 460.384 2.493 30 10 JEEE CCN([C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282492257 OBWCMGLOIFEHGU-IBGZPJMESA-N 474.436 2.004 30 10 JEEE COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H]2NC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2282505010 XKTKJEWOTACWMP-IRXDYDNUSA-N 482.408 2.328 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@]12CCC[C@@H]1CN(C(=O)OC(C)(C)C)C2 2282540870 PUIOJLRRGAQAMO-IQMFZBJNSA-N 460.384 2.239 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)n1 2282588663 WLNVXQMSDHBVDM-HOTGVXAUSA-N 460.384 2.141 30 10 JEEE CC[C@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)CC[C@H]1NC(=O)OC(C)(C)C 2282627155 GQAZYPILHASNMP-JKSUJKDBSA-N 462.400 2.485 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](NS(=O)(=O)Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CCO1 2282844386 CKHIDHWRCDAXKM-GOSISDBHSA-N 482.408 2.346 30 10 JEEE COCc1nnc(SCC(=O)NCc2ccccc2)n1N=Cc1cc(OC)c(O)c(OC)c1 2331612389 PHXSKDHEYSUESQ-UHFFFAOYSA-N 471.539 2.438 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H]3CC[C@@]3(NC(=O)OC(C)(C)C)C2)n1C 2362333228 RLZRBQXLKWZJKI-IQMFZBJNSA-N 460.384 2.157 30 10 JEEE CC(C)(C)OC(=O)N1[C@H](CNC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C[C@@H]2COC[C@H]21 2362574537 LEKZCZKMJOQFJU-IJEWVQPXSA-N 479.408 2.197 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)[C@@H](C)[S@@](=O)CC(=O)Nc3ccc4c(c3)OCO4)cc21 586315147 NPXRVLAMHSCEPY-GSLRCMBYSA-N 470.503 2.285 30 10 JEEE CC1(C)OB(c2ccc(CNS(=O)(=O)CCCN3C(=O)c4ccccc4C3=O)cc2)OC1(C)C 704311289 VNARKAGELWDJAO-UHFFFAOYSA-N 484.383 2.092 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)N2CC[C@H](Oc3ccnc(CN(C)CC)c3)C2)ccc1F 856638491 YVXXFZMDEAPBCW-FQEVSTJZSA-N 476.574 2.430 30 10 JEEE Nn1c(NN=Cc2cc([N+](=O)[O-])ccc2O)nnc1SCC(=O)Nc1ccc(F)cc1F 1084533009 BPKSSJAGZKSHIR-UHFFFAOYSA-N 464.414 2.061 30 10 JEEE Cc1nc(S(=O)(=O)N2CCC(C(=O)N3CCC[C@@H]3[C@@H](C#N)c3ccccc3)CC2)cn1C 1136915298 BGTNDEZYXNCWKI-LEWJYISDSA-N 455.584 2.428 30 10 JEEE N#Cc1ccc(N2CCC[C@H](NC(=O)c3cccc(S(=O)(=O)NCC4CC4)c3)C2=O)cc1 1138180881 DWKVQHRFAGAIJA-NRFANRHFSA-N 452.536 2.172 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2C[C@@H]2CCOC[C@H]2OC)c1 1286311679 PICJBWUQMGXGNG-NZQKXSOJSA-N 474.565 2.372 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)Oc1ccc(Cl)cc1 1286447487 KRKVCPKAKJPWKI-QFBILLFUSA-N 482.006 2.191 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCc2sccc2C1 1286582575 ZVYRGOQLNFTGID-IBGZPJMESA-N 494.687 2.133 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)C[C@H]1c1cccc(OC)c1 1286786991 ABWIBDSLUWKVAI-HQRMLTQVSA-N 473.599 2.079 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1286792526 AKYHLQYJRXQTPK-QGZVFWFLSA-N 472.565 2.430 30 10 JEEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1286830018 IFRZBFMPUCTFFC-CQSZACIVSA-N 460.526 2.043 30 10 JEEE CCOc1ccc(O[C@H](C)c2nnc(N3CCO[C@H](C#N)C3)n2C[C@]2(OC)CCOC2)cc1 1296810082 BOTXGZSMKHIKPY-HCLVMJGWSA-N 457.531 2.351 30 10 JEEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1300339305 LTGXEPMFPJIEEL-HXUWFJFHSA-N 451.575 2.278 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@]1(N(C)C)CCSC1)[C@@H]1CCS(=O)(=O)C1 1300487168 HDRRLLRYFQBTKH-WZONZLPQSA-N 489.667 2.018 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@H](C)N(C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1300488166 PDGRDHUEJSIQKM-UNMCSNQZSA-N 480.638 2.431 30 10 JEEE C#CCN(c1nnc(C2CCC2)n1CCN(C)Cc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1300493512 VVQFQXZPZCHHKY-NRFANRHFSA-N 459.591 2.443 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCSC2(C)C)CC1 1300712989 ZRKSHCZCKBZBED-SFHVURJKSA-N 481.626 2.423 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2N(C)CCCC2(C)C)CC1 1300729199 QDLQPULYEQZYNW-QFIPXVFZSA-N 480.661 2.226 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2ccccc2)C[C@H]1C 1300764507 XJAIJZCIFDWBBA-CTNGQTDRSA-N 473.668 2.257 30 10 JEEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@](O)(c2ccccc2F)C1 1300844286 KVEBRBDDFXGLJF-BEFAXECRSA-N 450.312 2.375 30 10 JEEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1300983870 RFCTWKWVTFNHNF-UHFFFAOYSA-N 453.522 2.373 30 10 JEEE C=CCC(C)(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(OCC(N)=O)CC1 1301144159 XDLLSODZBXIPQB-UHFFFAOYSA-N 475.615 2.422 30 10 JEEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1301239890 XLFLZZODKZZDKV-UHFFFAOYSA-N 473.541 2.111 30 10 JEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(O)(Cc2ccc(F)cc2)CC1 1301258684 YDPDVAPDHVCZMO-FQEVSTJZSA-N 492.617 2.486 30 10 JEEE C=CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(NC(=O)OC(C)(C)C)COC1 1301270986 NLSZAKYRUYWHPJ-JOCHJYFZSA-N 451.568 2.235 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC(C)(C#N)CC1 1301478733 PCRSCSDEKGVMJC-UHFFFAOYSA-N 455.950 2.294 30 10 JEEE C[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1)N(C)C 1303735634 BZWNPMSPAAJDIT-RDJZCZTQSA-N 479.507 2.184 30 10 JEEE C#CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@@H](COC)O[C@H](C)C1 1358910746 ZMPHTVYFXQUQAF-MSOLQXFVSA-N 450.543 2.236 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1N1CCCCC1 1359024812 WNLSCXKQEMJEHV-OAQYLSRUSA-N 471.627 2.305 30 10 JEEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1359053465 OIGOLTAOUPFNNV-IBGZPJMESA-N 465.627 2.220 30 10 JEEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1359059006 XSGCDWACELXENR-NRFANRHFSA-N 481.670 2.153 30 10 JEEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1359122425 RPXIFLMVZGSGHZ-ZWKOTPCHSA-N 475.594 2.203 30 10 JEEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@H](C)c2nccs2)CC1 1359216064 OCLHGDPDCFBQMY-SJORKVTESA-N 450.634 2.486 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)c(OC)c1)C1CC1 1359251292 HSORXIFSHOUSKB-FQEVSTJZSA-N 461.588 2.131 30 10 JEEE C=CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1359284638 CFPUKOCTGUCIIF-UHFFFAOYSA-N 475.556 2.315 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCCc2ccccc2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1359334929 VBFINIFZRRXQJJ-SFTDATJTSA-N 471.627 2.302 30 10 JEEE C#CCN(CC)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 1442129807 ACDNYGGYQCUKBH-OAQYLSRUSA-N 454.508 2.447 30 10 JEEE C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@H](CNC(=O)OC(C)(C)C)c3ccccc32)C1=O 1462570609 VRWSGCNLHUUKMJ-OAHLLOKOSA-N 456.499 2.008 30 10 JEEE CC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)C1)NC(=O)OC(C)(C)C 1497208544 AYSGHXDHZMFUJU-SFHVURJKSA-N 453.547 2.398 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1NC(=O)CC1(C)C 1507675607 CPJDQVFHZLVVLO-CEXWTWQISA-N 468.602 2.426 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1507710156 KQRJFOIBIXQCHN-IBGZPJMESA-N 461.574 2.235 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(OC)cc2C(F)(F)F)CC1 1507723239 AIAIYMPWPDBZKU-GOSISDBHSA-N 462.476 2.060 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(Br)cc3)n2CCc2cn[nH]c2)CC1 1507726749 LMMBPMIVLUPVLS-UHFFFAOYSA-N 470.375 2.341 30 10 JEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(OC)c(OC)c2OC)CC1 1507895624 BHERZVKZQMCKFR-OAHLLOKOSA-N 479.603 2.365 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCN(C)C(C)(C)C1 1508032755 HIBDRPNTWUFGJZ-FQEVSTJZSA-N 490.674 2.034 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1508080507 CBBDUJGMTYRRNG-UHFFFAOYSA-N 451.575 2.284 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCC(C(=O)N2CCCC2)CC1 1508144550 FRSIEWRTLQFGGK-UHFFFAOYSA-N 451.637 2.306 30 10 JEEE C=C(Br)Cn1c(Cc2ccc(F)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1539600514 OMHFJENMVLPTNO-GDBMZVCRSA-N 453.312 2.277 30 10 JEEE C=CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C(=O)NCC)CC1 1539954327 VJQINSWQNLOHRY-UHFFFAOYSA-N 489.646 2.403 30 10 JEEE C=CCn1c(COc2ccc(Br)cc2)nnc1N1CCN(CC(=O)NCC)CC1 1540860141 NYBINWNLWQQTDJ-UHFFFAOYSA-N 463.380 2.064 30 10 JEEE C=CCNC(=O)Cn1c(N2CCO[C@@H](c3ccc(F)cc3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1540875906 BDRAYCMFVGRXDO-HYBUGGRVSA-N 473.549 2.338 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1540903631 DLXNYXVRWLEFOG-KKSFZXQISA-N 481.644 2.009 30 10 JEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1540917336 STRTWJSYGQPIQI-HZPDHXFCSA-N 471.649 2.203 30 10 JEEE CC(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCN(C(C)=O)C2)C1 1541051578 CJLUSPCKDBECCM-FCHUYYIVSA-N 463.586 2.428 30 10 JEEE CC(C)(C)S(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@](F)(C#N)C1 1541232318 GSFUVRCJZHZDIQ-UTKZUKDTSA-N 463.535 2.446 30 10 JEEE C=CCn1c(S)nnc1Cc1csc(NC(=O)c2ccc(C)c(S(N)(=O)=O)c2)n1 1546212953 FEFJXOGBZBGAQV-UHFFFAOYSA-N 450.571 2.008 30 10 JEEE CCCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@](C)(C#N)C1 1547255295 GZHKBMBOERTFNI-HSZRJFAPSA-N 451.579 2.108 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@](C)(O)[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1588035409 UELRETFXWUXADQ-FHJLPGHOSA-N 460.600 2.378 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CC[C@@H](C)c2ccc(OC)cc2)CC1 1588733487 VCPCWQNKFPGLMZ-HXUWFJFHSA-N 450.587 2.472 30 10 JEEE C#CCN1CCN(c2nnc(-c3c[nH]c4ccccc34)n2CCCCCS(C)(=O)=O)CC1 1588806077 FRPWYXVFCYPAPO-UHFFFAOYSA-N 454.600 2.397 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCc2cccc(OC)c2)CC1 1588930005 KYTQQWNGNPMLKA-OAQYLSRUSA-N 451.571 2.389 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2CCCNC(=O)C2CCC2)CC1 1588947941 ZUXCRIDQKZCLJZ-UHFFFAOYSA-N 476.625 2.450 30 10 JEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@](C)(c2ccccc2)C1 1588985963 XSRWKGJEUXQUTI-UTKZUKDTSA-N 463.629 2.007 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2cccc(OC)c2)C1 1593746514 HNMXBRLFVHEPGM-CTNGQTDRSA-N 476.599 2.359 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1 1595556689 ZAXSYWWCONUONV-KRWDZBQOSA-N 450.547 2.457 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(CC)CC(C)C 1595789651 ZAIQFIWETKLOKI-UHFFFAOYSA-N 458.588 2.275 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2CC)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1595823355 NIHVJKRSHNJNBM-NTKDMRAZSA-N 490.626 2.405 30 10 JEEE C[C@H]1CN(CCCn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@H](CC(N)=O)C2)C[C@@H](C)O1 1612994897 GRPGPVRKEOPOJV-RZUBCFFCSA-N 495.628 2.320 30 10 JEEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N2C[C@@H](O)C[C@H]2CO)c1 1616613932 IODDHAZLWBRXDB-IRXDYDNUSA-N 450.944 2.289 30 10 JEEE CSCc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@@H](C)CC#N)cc1 1620247769 HHBJCELZOVZGDW-LPHOPBHVSA-N 478.644 2.261 30 10 JEEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2cccc(CN3CCN(C(C)=O)CC3)c2)cc1 1625379448 IKBHEXKZRRRGQA-UHFFFAOYSA-N 456.568 2.067 30 10 JEEE C=C[C@@H]1OCCC[C@H]1NC(=O)CS[C@@H](C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 1637084871 BSEUHCWIVHRDMZ-UHOSZYNNSA-N 458.584 2.394 30 10 JEEE C#CCN(C(=O)c1cc(S(=O)(=O)N(C)C)oc1C)C1CCN(C(=O)OC(C)(C)C)CC1 1651973775 WEPUPQAAIHQMLL-UHFFFAOYSA-N 453.561 2.313 30 10 JEEE CC[C@H](C#N)Oc1cccc(CNC(=O)NC[C@H](O)COc2ccc3c(c2)CCC(=O)N3)c1 1678974941 AQUQRIROBJJTTJ-RBUKOAKNSA-N 452.511 2.491 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(=O)NC1CCCCC1 1689847194 ULDLSFPKSMKCNB-INIZCTEOSA-N 457.604 2.145 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccc(N(C)C)cc2C)CC1 1690113253 FATOBKWWGCWLST-AREMUKBSSA-N 466.630 2.497 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2Cc2c(Cl)c(C(F)(F)F)nn2C)CC1 1690128584 GUZVNKHUYHHFGN-UHFFFAOYSA-N 478.910 2.473 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1690253077 MKAPJCLJFPIQCF-AGHHOFFYSA-N 493.605 2.495 30 10 JEEE C=C1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1690367572 UGQUQSMAIRFRTB-INIZCTEOSA-N 470.530 2.116 30 10 JEEE C=CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1690473752 GFMOAQSJLMETAP-QGZVFWFLSA-N 466.546 2.460 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCC[C@H](N2CCCC2)C1 1690677509 YOYABLPTEAVTFD-IBGZPJMESA-N 454.575 2.233 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CCC(CC(N)=O)CC1 1690717650 MLQBUJJOJPNNNM-UHFFFAOYSA-N 451.980 2.291 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCC(c3ccnn3C)CC2)nnc1[C@]1(OC(C)C)CCOC1 1690732279 YICIAQYWEMFAJL-QHCPKHFHSA-N 492.646 2.037 30 10 JEEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1690734215 YTRYPWJAKQPUCF-HNNXBMFYSA-N 486.067 2.183 30 10 JEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1690746724 IEHJQXLDADJYHX-INIZCTEOSA-N 479.603 2.092 30 10 JEEE CCc1cnc(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCO[C@@H](C#N)C2)s1 1694565206 BWIMHSFOKLHJHW-HNNXBMFYSA-N 458.569 2.145 30 10 JEEE CCc1nn(C)c(CC)c1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@@H]1C 1694605419 BONFCTMIENWGRH-KRWDZBQOSA-N 476.585 2.302 30 10 JEEE CCN(C)C(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@](F)(C#N)C1 1695504085 HDSQCMJKFYQOFM-ZHRRBRCNSA-N 463.558 2.313 30 10 JEEE CS(=O)(=O)NC[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCn2cc(Cl)cn2)C1 1698315113 CYEAMYLDSSDFBR-QGZVFWFLSA-N 489.005 2.132 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)o2)n1Cc1cccc(OCCN(C)C)c1)[C@H]1CCS(=O)(=O)C1 1705563027 PEGBNWCWTPZROP-NRFANRHFSA-N 497.621 2.462 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2Cc2ncccc2N(C)C)CC1 1705642903 LJNORPZYWUAAFW-UHFFFAOYSA-N 461.570 2.130 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(NC(=O)N(C)C)cc1 1705711079 ZQYMFXKXNUBISP-MRXNPFEDSA-N 463.608 2.433 30 10 JEEE C=CCSCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CC[C@@H](C(N)=O)C1 1705943423 AGFISANLIKSLTD-MRXNPFEDSA-N 467.599 2.296 30 10 JEEE CC(=O)N[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCc2c[nH]nc2C)C1 1706026432 FRBDMCOYCBUZJT-OAQYLSRUSA-N 462.558 2.498 30 10 JEEE C[C@@H]1COCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(NS(C)(=O)=O)CC1 1708250063 HBCKDMVXUPBCDC-VQIMIIECSA-N 458.588 2.007 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1722280158 VHVDNSMXXBYSLT-WFXMLNOXSA-N 473.540 2.430 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2CC2(CS(C)(=O)=O)CC2)c1 1722307876 YAPGSOWGTXQTBY-UHFFFAOYSA-N 492.605 2.145 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCN(C)C1CCCC1)[C@@H]1CCS(=O)(=O)C1 1722363927 CUFCPAMQZYUKOV-HXUWFJFHSA-N 476.672 2.135 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC(O)(CCC)CCC)CC1 1722434371 QFCUXZQMNWYVTH-UHFFFAOYSA-N 473.643 2.435 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CC(=O)N(C)C2CCCCC2)CC1 1722448341 ACVLNAZXSKBDKT-UHFFFAOYSA-N 477.613 2.021 30 10 JEEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN([C@H]2C[C@H]3CC[C@H]2C3)CC1 1722479030 FBDMWLIJHPHIBE-QAETUUGQSA-N 487.468 2.108 30 10 JEEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](C(=O)NCCCC)C1 1722485180 QRDLZMYTXQKVHN-LSDHHAIUSA-N 453.385 2.271 30 10 JEEE C=C(Br)Cn1c(N2CC[C@H](C(N)=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1722488872 KKNDJDMUDCENCP-MELADBBJSA-N 469.384 2.269 30 10 JEEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 1722523169 DKTMBQSPCGCFHK-KRWDZBQOSA-N 463.991 2.259 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H]1CCCc2c1cnn2C 1722702436 NTYXIWMNYQPXRM-FQEVSTJZSA-N 460.542 2.278 30 10 JEEE C=CCOc1ccc(Cn2c([C@H]3CCCOC3)nnc2N2CCN(CC(=O)NC(C)C)CC2)cc1 1722706553 VTWNHOKHDPTLIH-QFIPXVFZSA-N 482.629 2.432 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@H](C(N)=O)C1 1722749699 JHILDMIDZXRAHL-HNNXBMFYSA-N 482.404 2.010 30 10 JEEE Cc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCCN2CCCO[C@@H](C)C2)cc1 1724437767 GPVXZCFXVLPEKN-UNMCSNQZSA-N 454.575 2.395 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1C[C@H](c1c(F)cccc1F)N(C)C)[C@H]1CCS(=O)(=O)C1 1740623747 AFNULSNMFIGAOM-FXAWDEMLSA-N 477.581 2.438 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1740633719 QWQBWYGPMKYYPQ-FCHUYYIVSA-N 462.579 2.094 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2CC(C)(C)C(=O)NC)CC1 1740693051 TZMWONDWOSHXSJ-UHFFFAOYSA-N 468.602 2.270 30 10 JEEE C#CCSCCn1c(-c2ccc(Br)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1740712494 KEFDJAPICAPQNU-UHFFFAOYSA-N 484.445 2.156 30 10 JEEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1740713045 CSEBOSFJIBOEHM-ICSRJNTNSA-N 471.627 2.486 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCC1(O)CCOCC1 1740726576 FLMRXYFJQYNVMY-JOCHJYFZSA-N 458.584 2.272 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CCOC)C(=O)C1 1740757124 SRJCQUAJEUFVEK-PXNSSMCTSA-N 460.966 2.270 30 10 JEEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCNC(=O)c2ccc(C)c(F)c2)CC1 1740825301 LQZUFQOOGPIXCQ-SFHVURJKSA-N 461.563 2.214 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@H]1C(C)C 1740953296 AYZZYHFYSYIDKT-LJQANCHMSA-N 460.604 2.122 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(Cc2cnc(C)s2)CC1 1740953601 LRUIBZFISRSUGS-UHFFFAOYSA-N 467.599 2.343 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCN(c2ncccc2F)CC1 1740961968 OBIVAZRLBCGCLS-UHFFFAOYSA-N 453.497 2.171 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](OCCOC)C1 1740966153 WGIVBTXWLDSOAN-MOPGFXCFSA-N 492.621 2.284 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(OC)cc2)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1740994650 URUSSJGPLMPGJZ-WIYYLYMNSA-N 476.599 2.472 30 10 JEEE CC(C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1Cc1ccccc1S(=O)(=O)N(C)C 1741369833 GDKWDKAHAOLIKR-UHFFFAOYSA-N 494.625 2.293 30 10 JEEE CCN(c1nnc(-c2cccc(C#N)c2)n1CCc1nccnc1C)[C@@H]1CCS(=O)(=O)C1 1745953293 DUSWKZLWYSLBLH-LJQANCHMSA-N 451.556 2.171 30 10 JEEE CCN1C[C@H](C)N(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC(=O)N(CCOC)C2)C[C@H]1C 1746375578 HQOJNJNPXQYSHT-SVFBPWRDSA-N 465.602 2.231 30 10 JEEE COc1cc(OC)cc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCN2CCN(C)C(C)(C)C2)c1 1748571689 DTQKRKPIEYBFGQ-XMMPIXPASA-N 471.581 2.430 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCC(=O)NC1CC1 1748673383 GNZUZESURQWDJU-AEFFLSMTSA-N 460.579 2.103 30 10 JEEE C#CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@H](NC(=O)CC)C1 1748737142 XYBITDVXPMKTTH-SFHVURJKSA-N 471.631 2.455 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1CC[S@@](=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1748819411 OIGRIBUZANIYNT-FZEVHQGJSA-N 480.631 2.182 30 10 JEEE COc1cccc(-c2nnc(N3CCN(c4nccnc4C#N)C[C@@H]3C)n2CCCC(=O)N(C)C)c1 1748928434 CSGPPYICECDEMA-SFHVURJKSA-N 489.584 2.199 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCNC(=O)CC1 1749119318 PZYRYBCBXXYJRM-YLJYHZDGSA-N 472.977 2.169 30 10 JEEE C=C(Cl)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1749280889 TVIRPYMBCANIPO-QGZVFWFLSA-N 472.977 2.054 30 10 JEEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1749402143 KKYSMMAOEKOJCU-ZCNNSNEGSA-N 451.637 2.084 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@H](N2CCCC2=O)C1 1749651605 YUPILXMTHLIFMI-WMZOPIPTSA-N 456.522 2.061 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC(N(C)C(C)=O)CC2)nnc1C1(c2ccccc2)CCC1 1749681984 MBCDREHTUZQEGS-UHFFFAOYSA-N 450.587 2.497 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1749727087 MRCYLVQADJKXTM-RDJZCZTQSA-N 482.946 2.322 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCC=C(Br)C1 1749731032 ZHKWLWZJEOCCLX-UHFFFAOYSA-N 484.376 2.096 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccccc1CN1CCC[C@H]1CO 1760096366 KOLOYCKHPJDZTJ-UGKGYDQZSA-N 473.581 2.388 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(Br)cc1 1760117275 NOTAMSMZNDYATG-QAPCUYQASA-N 496.431 2.074 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccccc1CN1CC[C@H](O)C1 1760122302 JBUNPQHMCJOKDH-NQIIRXRSSA-N 478.622 2.342 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2C[C@H]2CCOC[C@@H]2OC)c1 1760124844 BSEDTHJPQPGSGF-IRLDBZIGSA-N 460.538 2.448 30 10 JEEE C#CCN(c1nnc(C)n1CCc1ccc(OC)c(Br)c1)[C@@H]1CCS(=O)(=O)C1 1760180393 DELNRWGDVIEZQK-MRXNPFEDSA-N 467.389 2.227 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CC1CCN(C(C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1760183294 OBUGMJNYAHAUTR-NRFANRHFSA-N 490.029 2.484 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CCCO[C@@H]1C(C)C)[C@H]1CCS(=O)(=O)C1 1760184150 VTWZEEGSHRXBNM-SESVDKBCSA-N 493.674 2.274 30 10 JEEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H]1CCN(S(C)(=O)=O)C1 1760229106 DKYKPHWGVRFPTR-HNNXBMFYSA-N 451.980 2.348 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(F)(F)Br 1760245268 XZJXLWCCTQWXRL-UHFFFAOYSA-N 477.331 2.422 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](CC)Oc2ccccc2F)CC1 1760252283 PCIUPQASHGTEDQ-LJQANCHMSA-N 454.550 2.266 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OC)n2Cc2nnc(CC)s2)CC1 1760273148 JRBOAFRNQPVWPY-UHFFFAOYSA-N 495.609 2.294 30 10 JEEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1760306662 JGBBULWTEJGQGG-VQTJNVASSA-N 497.482 2.312 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCCN(C(=O)c2ccsc2)CC1 1760555464 GGRJMRZIWSXFEL-GOSISDBHSA-N 493.655 2.187 30 10 JEEE C=CCSCCn1c(-c2cccn2C)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1760562786 VWBMRCWENYDOKG-QGZVFWFLSA-N 450.634 2.207 30 10 JEEE CCC[C@@H](C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(S(C)(=O)=O)CC1 1765471316 FSINAHSWHXXTDG-QGZVFWFLSA-N 472.615 2.383 30 10 JEEE COc1ccc(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@H]2CCCCS2(=O)=O)cc1 1768733373 HSDASVIYXDAWRT-GHTZIAJQSA-N 463.535 2.275 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1OCC(F)(F)F 1772564680 QNJCHBDDFKZTIH-KRWDZBQOSA-N 489.520 2.223 30 10 JEEE COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CCCO)cc(OC)c1O 1862632456 PBIOBTIBUXYAAI-IBGZPJMESA-N 457.435 2.099 30 10 JEEE Cc1ccc(Cl)cc1-n1nnc(C#N)c1NC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 1870155208 BHTKKTINAZQOHT-UHFFFAOYSA-N 465.813 2.244 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCCN(CC)CC)cn1Cc1cccnc1 1870534586 JXPAORZBANYAAY-UHFFFAOYSA-N 467.614 2.302 30 10 JEEE C=CCn1c(C(=O)N(CCOC)CCOC)cc2c(N3CCN(c4ccccn4)CC3)ncnc21 1873562618 LLMRGGJJKKRSSK-UHFFFAOYSA-N 479.585 2.074 30 10 JEEE C=CCn1c(C(=O)NCCCO)cc2c(N3CCN(c4ccccc4OC)CC3)ncnc21 1873593584 QOAMPGFQUKXOEY-UHFFFAOYSA-N 450.543 2.065 30 10 JEEE CCN(CC)C(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1ccc(O)cc1O 1874335379 OFTNYYLEPOTURU-BRUSPLQXSA-N 474.587 2.256 30 10 JEEE CC(C)(C)OC(=O)N1CCN([C@]2(CN)CN(Cc3ccccc3)[C@]3(CCOC3)C2)[C@@H](C#N)C1 1881500361 LDYZSYVISYEIJE-FTBPSBKWSA-N 455.603 2.194 30 10 JEEE CN1CCN(CC#CCOC2CCN(C(=O)COc3c(F)c(F)c(F)c(F)c3F)CC2)CC1 1890771425 JWNYQIFAZSSZLW-UHFFFAOYSA-N 475.458 2.019 30 10 JEEE Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CCC(=O)N1CCN(c2cccc(C#N)c2)CC1 1892139656 CPFKJGVMOZHFSR-NRFANRHFSA-N 455.584 2.013 30 10 JEEE CC(C)(C)OC(=O)NCCn1cc(C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)nn1 2180973269 WRLUUJCGJYKSDG-UHFFFAOYSA-N 457.340 2.354 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCCN(CC(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)C1 2206613240 VOWSSSGNFJLBGE-QGZVFWFLSA-N 460.384 2.308 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)NCCn1cnc(I)c1 2221419947 GXVMUDJOJYYZNZ-LBPRGKRZSA-N 461.304 2.191 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)NCC[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 2222543795 XGLDKPJKVBZHKT-KSFYIVLOSA-N 454.568 2.452 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1COCCN1C(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2255533167 RCSYYCQIGMZOSB-AWEZNQCLSA-N 452.382 2.413 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)[C@@H](CO)C1 2255705395 UOPKMACVUOJAOX-CQSZACIVSA-N 452.382 2.101 30 10 JEEE CN(CCOCCNC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2255844318 UWHQXBBJXSJMCT-UHFFFAOYSA-N 455.386 2.056 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H]1NS(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2255934223 ZFFXXQIDHCQILP-GOEBONIOSA-N 452.382 2.177 30 10 JEEE C[C@@H]1[C@@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)CCCN1C(=O)OC(C)(C)C 2256614227 LSEDQMJPVYCGBL-OLZOCXBDSA-N 452.386 2.233 30 10 JEEE CC(C)(C)OC(=O)NC1CCC(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)CC1 2256614718 PDIGNZAJHWTDGD-UHFFFAOYSA-N 452.386 2.281 30 10 JEEE CC(C)(C)OC(=O)N1CCCC[C@@H]1CC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2256617583 KLYIGAZPJOMVEQ-CYBMUJFWSA-N 452.386 2.377 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)CCO1 2267147027 NXKLMNFBKBTFSM-UONOGXRCSA-N 467.397 2.244 30 10 JEEE CO[C@@H]1C[C@@H](CNC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)N(C(=O)OC(C)(C)C)C1 2267489421 VWIPJRWSAZYAQC-UONOGXRCSA-N 467.397 2.197 30 10 JEEE C[C@@H]1CC[C@@H](CNC(=O)C(F)(F)F)N(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)C1 2267535692 ZWNOMYUTFJWUTR-NEPJUHHUSA-N 461.315 2.362 30 10 JEEE CO[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)N(C(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)C1 2267549950 SHBYVLODTPCMFU-KBPBESRZSA-N 467.397 2.197 30 10 JEEE CC(C)(C)OC(=O)N1CC([S@@](C)(=O)=NC(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267591955 AQGGKKPESAOREK-JGCGQSQUSA-N 465.381 2.238 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2268638692 UZMLHVVXMXRSLN-ZDUSSCGKSA-N 463.369 2.240 30 10 JEEE C[C@H]1C[C@H](CNC(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2281970225 DSLTZTAOLGAUQZ-JKSUJKDBSA-N 462.400 2.342 30 10 JEEE C[C@H](NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)C1CCN(C(=O)OC(C)(C)C)CC1 2282044096 RJDVXMTWQKCJLU-HNNXBMFYSA-N 462.400 2.485 30 10 JEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)N(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2282188949 CWQNSUPNOMNWSF-JKSUJKDBSA-N 460.384 2.493 30 10 JEEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](CCNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)O1 2282199957 JIFMIDPYTDXYEL-NVXWUHKLSA-N 463.384 2.458 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1CC[C@@H](NS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282302451 MPWJDXZXRWDCHJ-DOTOQJQBSA-N 481.424 2.353 30 10 JEEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CN(S(=O)(=O)c1cncc(B3OC(C)(C)C(C)(C)O3)c1)C2 2282347615 AJOKZEBAXGHTOK-IRXDYDNUSA-N 479.408 2.153 30 10 JEEE Cc1c(C(=O)N2CC[C@H](CCNC(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282541885 FNIDSNASDFSXCJ-INIZCTEOSA-N 462.400 2.405 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(C(=O)OC(C)(C)C)CC12CC2 2282598639 OTCDRIRJPOVYEK-UHFFFAOYSA-N 460.384 2.253 30 10 JEEE C[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1O 2282883143 WMBZQDLIHQEAIL-DOMZBBRYSA-N 456.270 2.363 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](O)CN(c2ccc([N+](=O)[O-])c(B3OC(C)(C)C(C)(C)O3)c2)C1 2282939176 ZYADZHRDJLOULA-GOEBONIOSA-N 463.340 2.358 30 10 JEEE C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2cc(B3OC(C)(C)C(C)(C)O3)ccc2C1 2283963077 IAVKYORWGWGCCR-HNAYVOBHSA-N 460.380 2.145 30 10 JEEE C[C@H](NC(=O)[C@@H]1C[C@H](O)CCN1C(=O)OC(C)(C)C)c1nscc1B1OC(C)(C)C(C)(C)O1 2283974650 VQWUNYKKOJRICW-LZWOXQAQSA-N 481.424 2.380 30 10 JEEE C[C@H](NC(=O)C[C@]1(O)CCN(C(=O)OC(C)(C)C)C1)c1nscc1B1OC(C)(C)C(C)(C)O1 2283976679 GYDFQTBQHQENFE-RCDICMHDSA-N 481.424 2.382 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)NCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2285184083 HVJCTQXLAQEFHH-GOSISDBHSA-N 464.343 2.377 30 10 JEEE Cc1nn(C)c(C(=O)N2C[C@H]3C[C@]3(CNC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2288261024 NTWLIJZZRPXGCA-CMJOXMDJSA-N 460.384 2.015 30 10 JEEE COC(=O)c1[nH]c(C)c(C(O)=C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccs2)c1C 2296116273 XGHRTHYPISCHEA-IBGZPJMESA-N 473.551 2.234 30 10 JEEE C[C@@H]1Cc2cc(C(O)=C3C(=O)C(=O)N(CCN4CCOCC4)[C@@H]3c3cccc(O)c3)ccc2O1 2296226404 HUDXMGLAYWAIDP-WAIKUNEKSA-N 464.518 2.470 30 10 JEEE COc1ccccc1[C@@H]1C(=C(O)c2c(C)n[nH]c2C)C(=O)C(=O)N1CCCN1CCOCC1 2296612494 OPLXBRUCQITKMS-OAQYLSRUSA-N 454.527 2.179 30 10 JEEE COc1nc(O[C@@H]2C[C@@H](NC(=O)OC(C)(C)C)[C@@H]2OC)ccc1B1OC(C)(C)C(C)(C)O1 2339834293 HLXKTPRDWOBXCG-INMHGKMJSA-N 450.341 2.449 30 10 JEEE COc1nc(OC[C@H]2CN(C(=O)OC(C)(C)C)CCN2C)ccc1B1OC(C)(C)C(C)(C)O1 2365379727 KXPUINKMIOTVPE-MRXNPFEDSA-N 463.384 2.319 30 10 JEEE C=CCNC(=O)[C@H](C)Sc1n[nH]c(N/N=C/c2ccc(OC)c(OCn3cccn3)c2)n1 59817940 SYINBXFKOLBPQT-OFJBCHTGSA-N 456.532 2.275 30 10 JEEE C=CCn1cc(/C=N/Nc2nnc(SCC(=O)Nc3ccccc3Br)n2N)cn1 59830054 KPONPQHWYIPHCD-DNTJNYDQSA-N 476.364 2.314 30 10 JEEE CCCOc1ccc([C@@H]2c3c(nc(N4CCC5(CC4)OCCO5)[nH]c3=O)NC(=O)[C@@H]2C#N)cc1 72444228 DHVJRCCHGZLLMH-MSOLQXFVSA-N 465.510 2.126 30 10 JEEE COC(=O)[C@@]1(N2CCOCC2)/C(=C(\O)c2ccc(Cl)cc2)C(=O)C(=O)N1c1ccccc1 102501304 OBSCKFPKXBTPHG-KQTUZLTBSA-N 456.882 2.427 30 10 JEEE NS(=O)(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCO4)[C@@H]2c2ccccn2)cc1 170353520 DBTDNMUZDUBQFG-NRFANRHFSA-N 477.498 2.447 30 10 JEEE CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1-c1ccc(C#N)c(Cl)c1 608827537 HNIPNFHBPOZPGZ-UHFFFAOYSA-N 492.988 2.470 30 10 JEEE C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)OCC(=O)NCc1cnn(-c2ccccc2)c1 857749855 DRRCQMSWRAYCFB-HHHXNRCGSA-N 499.527 2.197 30 10 JEEE COc1cc(C=NNc2nnc(SCC(=O)c3ccc(C)cc3)n2N)cc([N+](=O)[O-])c1O 1084588145 HISOHRCZBHNOSL-UHFFFAOYSA-N 457.472 2.344 30 10 JEEE CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)COc2ccc(C#N)c(Br)c2)cc1 1143852675 HDBROOSPGURXES-GFCCVEGCSA-N 452.330 2.485 30 10 JEEE C#C[C@@H](NC(=O)c1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1)[C@@H]1CCCO1 1154791755 FVHFLZISSIXMBE-XLIONFOSSA-N 459.480 2.315 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](c1ccc(C)o1)N1CCOCC1 1286271014 PUYVHWAQGSGTLE-PKOBYXMFSA-N 463.542 2.358 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3OCC[C@H]3COC)n2CCc2ccn(C)n2)c1 1286312176 RWQGXLDNCHBBFZ-CVDCTZTESA-N 477.569 2.035 30 10 JEEE C#CCCCn1c(-c2ccc(F)cc2Br)nnc1N1CCO[C@H](C(=O)NC)C1 1286344189 FJRTZKXVHJZCSZ-INIZCTEOSA-N 450.312 2.211 30 10 JEEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1286348750 NQQMBTYKYIHEDW-GOSISDBHSA-N 461.570 2.299 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CC1(C)CCOCC1)[C@H]1CCS(=O)(=O)C1 1286380332 BSKKEACURNEOAG-IBGZPJMESA-N 458.584 2.397 30 10 JEEE C=C(C)Cn1c(-c2cccc(Br)c2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1286584503 LZBWGKLLVASAME-UHFFFAOYSA-N 489.418 2.265 30 10 JEEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2ccccc2F)C1 1286601346 UIXIHDWGBVKMEO-VQIMIIECSA-N 467.567 2.198 30 10 JEEE C=CCCCn1c(Cn2ccc3ccccc32)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1286704074 YUQYSPXRGBUSCP-UHFFFAOYSA-N 463.586 2.421 30 10 JEEE C=CCn1c(-c2cc(Br)cn2C)nnc1N1CCN(c2nccc(OC)n2)CC1 1286770185 YPDFRFXLMOFFIU-UHFFFAOYSA-N 459.352 2.357 30 10 JEEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(Cc2c(CC)nn(C)c2Cl)CC1 1286778428 DFSAQBAKXVFUGY-LPHOPBHVSA-N 464.014 2.460 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC(C(=O)NC2CCCCC2)CC1 1286825300 OQEHYOHLFTZTTL-HXUWFJFHSA-N 479.647 2.396 30 10 JEEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](NC(C)=O)C1 1300412339 VWUCTFUNMAJYBE-MOPGFXCFSA-N 460.579 2.105 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCN(C)[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1300488902 HWIODPXAJNNRPM-AZUAARDMSA-N 459.616 2.311 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2cnn(CC(C)C)c2C)CC1 1300717150 ZZUVRRZYUAOUFZ-SANMLTNESA-N 497.644 2.105 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H](OC)C1 1300870570 UNCYFCKZLBTURM-ZVDOUQERSA-N 475.615 2.402 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2cccc(C)c2)nnc1N1CCN(CCOC)C(=O)C1 1300893148 XUVYWCHDPTYPTO-YKSBVNFPSA-N 469.586 2.442 30 10 JEEE COCC[C@](C)(O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1301449044 ICVISHFHEMXSKM-JPYJTQIMSA-N 474.993 2.421 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(Nc2cccc(C)c2)CC1 1301585116 HPHAEDXAAQBVAK-HXUWFJFHSA-N 472.615 2.219 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1301587363 NXRRMUQDQQFURB-PMACEKPBSA-N 482.553 2.132 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc2ccccc2s1 1301967350 BYVCATJJAVRHCL-MAUKXSAKSA-N 474.612 2.470 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCC[C@H]1CC)[C@H]1CCS(=O)(=O)C1 1358955244 IGBMGBNWYGGNGC-QYZOEREBSA-N 470.599 2.378 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCNC(=O)[C@H](C)CCC)[C@H]1CCS(=O)(=O)C1 1358959474 JMDDNELNTXDCNX-AEFFLSMTSA-N 493.033 2.173 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H]1CCCCN1CCC)[C@H]1CCS(=O)(=O)C1 1358960629 IPMHMVYPQYWUED-SFTDATJTSA-N 456.616 2.231 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@]1(O)CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1358962438 PQFHCFNIRUHNQA-NPPFBWRTSA-N 450.605 2.088 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCc1ccc(OC)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1358963889 POONCSNHLHIRCA-RTBURBONSA-N 476.574 2.189 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1C[C@@H](C)N1CCN(c2ccccc2)CC1 1358991722 MKUUKUXPOAHJAI-JOCHJYFZSA-N 454.582 2.409 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1359097148 LKQIIQJFWSXBLO-KNQAVFIVSA-N 455.607 2.245 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1csc(C)n1 1359121813 KHXDRVHXVFAHRV-SJORKVTESA-N 452.606 2.294 30 10 JEEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(Br)o1 1359150779 GOMMRQIHLAFKAZ-CYBMUJFWSA-N 494.799 2.355 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(O)CCC[C@H]1C 1359259335 SPYFNKDGSCAOIJ-IZIIKQMZSA-N 489.642 2.355 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC(C(=O)NCc2ccc(F)cc2)CC1 1359298095 MRVZLICOBNKRCS-UHFFFAOYSA-N 477.544 2.314 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@]2(CCOC2)C1 1359332888 JQAQUXRBNXHQFP-NRFANRHFSA-N 452.527 2.365 30 10 JEEE CC(=O)N1CC[C@H](CN(C)c2nnc(COc3ccc(C#N)cc3)n2CC2=CCCOC2)C1 1359363002 IWWBTERDUZNDHZ-HXUWFJFHSA-N 450.543 2.380 30 10 JEEE C#Cc1ccc(C(=O)N2CCCN(S(=O)(=O)c3ccc(Br)s3)CC2)nc1 1446537013 MLCZDXQNFZJKRE-UHFFFAOYSA-N 454.371 2.424 30 10 JEEE CCN1CCN([C@@H](C)Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1502310479 AETVYLVWAKSDJS-MHECFPHRSA-N 471.581 2.430 30 10 JEEE CCS(=O)(=O)NCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[C@@](C)(C#N)C1 1503279855 CVCSYPUQUFZEKI-QFIPXVFZSA-N 492.602 2.040 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OC)c(Br)c1 1507514977 FTYHFIHVOLQQKJ-STQMWFEESA-N 470.393 2.166 30 10 JEEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(S(=O)(=O)CC)CC1 1507588636 OXJWYXUFQYINHP-IBGZPJMESA-N 495.646 2.403 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H](N1CCOCC1)C(F)(F)F 1507643362 LULDQUDEKWFKPF-INIZCTEOSA-N 485.308 2.372 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2C)n1CCNS(=O)(=O)Cc1ccon1 1507769830 GYAPKGQJDOUBTG-HSZRJFAPSA-N 468.583 2.277 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](C#N)C1 1507794318 FCPXMESOBDYKBH-NSHGMRRFSA-N 457.556 2.059 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CCOc2ccccc2)nnc1N1CCN(C(=O)NC)CC1 1507804287 FPABRLHUFDEGHE-DENIHFKCSA-N 454.575 2.342 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(CCS(C)(=O)=O)C1CC1 1507808601 RDSLJQGQJFDZIJ-RXVVDRJESA-N 462.620 2.134 30 10 JEEE C=C(Cl)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1507863046 ATDIBYOENUOGMD-UHFFFAOYSA-N 477.978 2.207 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCN2C[C@@H](C)C[C@@H](C)C2)CC1 1507901971 HAQOXMXTQNNFTM-RZUBCFFCSA-N 494.706 2.381 30 10 JEEE C=CC1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1507904134 KKVSUMQXQYYWIG-KRWDZBQOSA-N 450.634 2.318 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(Cc2ccccc2)CC1 1509951513 HDLSPSSZCAHHAG-ICSRJNTNSA-N 472.615 2.372 30 10 JEEE COc1ccc(C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)cc1S(=O)(=O)N(C)C 1534192908 BGSHTWWQBHQUMZ-UHFFFAOYSA-N 458.540 2.332 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@@H](CCC)OC)c1 1539037042 AJZMKJZWACAARK-HXUWFJFHSA-N 452.559 2.385 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CC(=O)NCC1CC1)[C@@H]1CCS(=O)(=O)C1 1539203727 UBEJLGHQZNDSCJ-TZIWHRDSSA-N 499.637 2.188 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@H](c1ccsc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1539211776 OUCHWTZQONOTDL-AZUAARDMSA-N 472.640 2.275 30 10 JEEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1CCC(C)(F)F)[C@H]1CCS(=O)(=O)C1 1539224031 BYCBHNABNCTZLH-KRWDZBQOSA-N 462.526 2.189 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC[C@H](C)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 1539230672 OSCRRMZMVRXZDA-UNMCSNQZSA-N 487.674 2.031 30 10 JEEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2CCCN2C[C@@H](C)O[C@H](C)C2)CC1 1539454195 JFAWAOFVXGLQQF-DHIUTWEWSA-N 480.657 2.326 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3OCC)n2C[C@H]2CC(F)(F)CO2)CC1 1539462456 UWUUSWBKUAZQAK-GOSISDBHSA-N 461.513 2.435 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1cccc(F)c1)N(C)C)C1CC1 1540109592 RRJXXPQAYHHYEK-SFTDATJTSA-N 492.621 2.208 30 10 JEEE CC(C)NC(=O)c1nnc(N(C)C[C@H](C)C#N)n1C[C@@H](C)N1CCN(c2ccccc2)CC1 1541103726 FRSNUDULOYOYMJ-WOJBJXKFSA-N 452.607 2.223 30 10 JEEE CC(C)[C@@H]1OCCC[C@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCC#N)CC1CC1 1541408804 HIKCBFDXFKCEDT-ACRUOGEOSA-N 494.662 2.192 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CC1(N(C)C)Cc2ccccc2C1 1541925541 DZXAYKUXDBWUEP-GOSISDBHSA-N 485.658 2.118 30 10 JEEE C=CCOC(=O)C1=C(C)N=c2sc(=Cc3ccco3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OC)c1 1554157792 VEFYVNSTJWNQGO-JOCHJYFZSA-N 494.525 2.491 30 10 JEEE CN(CCN1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1CCC(=O)N1CCCCCC1 1554300941 ASEOJJCQOKMFOC-UHFFFAOYSA-N 465.602 2.378 30 10 JEEE C#CCNC(=O)CN1CCCN(C(=O)c2ccccc2OCc2cn3cccc(C)c3n2)CC1 1565589281 CCHSFTCMTHKXEO-UHFFFAOYSA-N 459.550 2.119 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CCCc1ccccc1)[C@H]1CCS(=O)(=O)C1 1588034499 HGTLCYSLEIXCHR-URXFXBBRSA-N 472.611 2.190 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1CC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1588041652 ZCHXTFWSUOXYCM-OAHLLOKOSA-N 452.939 2.279 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CN(CC(C)C)CCO2)CC1 1588907984 JGMFWJGKHYACKX-DEOSSOPVSA-N 489.624 2.139 30 10 JEEE C=CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1595387003 LSFGUZADGNSQDW-UHFFFAOYSA-N 451.531 2.435 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1595496895 KBBWODWNMLAWDC-IBGZPJMESA-N 489.418 2.311 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1595501620 ZWXUYXWLDUHPFY-XLIONFOSSA-N 458.994 2.448 30 10 JEEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1595555499 AONKPXPGYJXORO-IBGZPJMESA-N 487.599 2.054 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1595577411 RPBYETKQENZMKZ-VXKWHMMOSA-N 482.629 2.323 30 10 JEEE C=CCNC(=O)Cn1c(N2CCCN(c3ccccc3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1595602509 LONAXYKZIXLIHA-RUZDIDTESA-N 468.602 2.338 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1595759566 GIKVFNYGLVWLNN-VQTJNVASSA-N 480.656 2.434 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CC[C@@H](CN2CCCCC2)C1 1595798921 VNGKQAQSDGVNQE-PMACEKPBSA-N 451.637 2.085 30 10 JEEE CC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)N2CCSCC2)C[C@@H](C)O1 1614214895 AUYPVYUUNZRIQS-YLJYHZDGSA-N 490.655 2.199 30 10 JEEE CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@@](C)(C#N)C1 1617319433 CJXBWJXFFDRPBQ-NRFANRHFSA-N 455.544 2.159 30 10 JEEE COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1CC1CCN(CC(F)(F)F)CC1 1619909660 FXVHTRFWRAKHKZ-UHFFFAOYSA-N 471.528 2.155 30 10 JEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1CC2(CCOCC2)Oc2ccccc21 1643510154 BGLTUAUTBCDYNF-OXQOHEQNSA-N 455.536 2.414 30 10 JEEE C=CCS(=O)(=O)CCNC(=O)N[C@@H]1CCCN(c2ccc(Br)c(C)c2)C1=O 1670883515 ZSLNEDLXIZGJJF-MRXNPFEDSA-N 458.378 2.153 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1689851460 RDIGEQWPCSSSEG-RCCFBDPRSA-N 465.620 2.285 30 10 JEEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1C[C@@H](C)CNC(=O)OC(C)(C)C 1690015091 AGDLGZQXNGCGBY-INIZCTEOSA-N 454.531 2.239 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccccc1)N(CC)CC 1690019965 VSNCTKBODBAWDS-YADHBBJMSA-N 453.612 2.336 30 10 JEEE C#CCSCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(S(C)(=O)=O)CC1 1690157866 RHKIZDJGXPXKDI-MRXNPFEDSA-N 467.592 2.005 30 10 JEEE C=CCN(Cc1cccs1)c1nnc(C(=O)Nc2ccccn2)n1C[C@@]1(O)CCN(C)C1 1690574218 SKVNTOMRQKGUDL-JOCHJYFZSA-N 453.572 2.246 30 10 JEEE C=CCN(CC=C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCN1CCCS1(=O)=O 1690591627 RJFGKWVLDRRWPS-UHFFFAOYSA-N 453.572 2.345 30 10 JEEE C=CCN(CCOC)c1nnc(-c2cc(OC)ccc2Br)n1CC(=O)N1CCOCC1 1690613659 PIXBJVGMWOMLBD-UHFFFAOYSA-N 494.390 2.214 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@@H]1c1cnn(C)c1 1690659254 NZJMYENFQGFGGU-LJQANCHMSA-N 482.976 2.239 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2([S@@](C)=O)CCC2)C1 1690689675 JTNFHZINGBVAQF-FZEVHQGJSA-N 478.640 2.431 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)c2ccccc2OCC)CC1 1690722862 YGBHKYNFRQKUHE-UHFFFAOYSA-N 498.609 2.235 30 10 JEEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N(C)C[C@H](C)c1nccs1 1696501248 BDHBRXAHDVSDHS-HNNXBMFYSA-N 459.601 2.452 30 10 JEEE COC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](Cn2cccn2)C1 1697096186 DEWGGDXSOZUNAI-FQEVSTJZSA-N 451.531 2.256 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OCC)CCOC3)n2C[C@@](C)(O)c2ccco2)c1 1705504389 VBPCVNKFPVXPTO-CLJLJLNGSA-N 493.564 2.487 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCCN2CC)c1 1705506582 BPZXJHPUNVBLKS-UNMCSNQZSA-N 498.653 2.111 30 10 JEEE C#CCN(c1nnc(-c2cccc(Br)c2)n1Cc1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 1705561576 RKSIYEXLURHDDM-SFHVURJKSA-N 489.399 2.116 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCN(CC)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1705571530 AGGASQYAUDIQGL-QZTJIDSGSA-N 481.619 2.013 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCC(=O)NC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1705571849 JQOJFFKUBVFBEQ-QWFCFKBJSA-N 493.674 2.128 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)Cc2ccc(OC)cc2)CC1 1705643451 GXZVHNYBNYWOIJ-FQEVSTJZSA-N 492.624 2.367 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(Cc1ccccc1)Cc1ccco1 1705903019 OOQZJXASVXZLIC-LJQANCHMSA-N 469.567 2.282 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1705933362 DQZNRXQFWRYVNO-MRXNPFEDSA-N 482.532 2.490 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccc(Cl)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1722367292 MMHRDHIAMNEHEJ-IAGOWNOFSA-N 464.975 2.119 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1c(F)cc(F)c(F)c1F)[C@H]1CCS(=O)(=O)C1 1722371504 WXFFONRUYXMAGE-BLLLJJGKSA-N 472.464 2.361 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1(S(C)(=O)=O)CCC1 1722427873 SKRQUANFZLKWAJ-QZTJIDSGSA-N 452.621 2.250 30 10 JEEE C#CCN1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CCOC(C)(C)C)CC1 1722437507 DSWPLKGBCWYSKI-UHFFFAOYSA-N 463.586 2.245 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CC(C)(C)N2CCC(OC)CC2)CC1 1722445609 SXMVDVOAFXGDMR-UHFFFAOYSA-N 479.629 2.195 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1722466394 SXCHCCDHBBKOQX-KHCICDEESA-N 451.575 2.417 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CCc2ccccc2)nnc1N1CCN(CCOC)C(=O)C1 1722504648 OGHACBLPOWUIKZ-XUZZJYLKSA-N 453.587 2.340 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1722691202 OZNVDTGJUXJUDB-KSSFIOAISA-N 471.493 2.129 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CCO[C@@H](C(F)(F)F)C1 1722729277 HWXCFNIPCNJMHJ-QGZVFWFLSA-N 474.505 2.246 30 10 JEEE C=CCSCCn1c(Cc2csc(C)n2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1722742589 YMPPCZUVOJPFAD-MRXNPFEDSA-N 461.617 2.026 30 10 JEEE CC(=O)N1CCN(CCn2c(-c3cccc(C#N)c3)nnc2N(C)CCCc2ccccn2)CC1 1722795046 DOBANZPPJVXMFB-UHFFFAOYSA-N 472.597 2.445 30 10 JEEE CC(C)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(S(C)(=O)=O)CC2)[C@H](C)C1=O 1723454571 AMTWYEQFZZFMNM-QGZVFWFLSA-N 470.599 2.087 30 10 JEEE COCCN1C[C@H](Cn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N2CCO[C@H](C#N)C2)CC1=O 1730776140 FUBXWERKKPVEGK-NJDAHSKKSA-N 482.585 2.259 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2C[C@@H]2CCOC[C@H]2OC)c1 1740564814 YIVLWGSJYXGQQZ-JTHBVZDNSA-N 474.565 2.372 30 10 JEEE C#CCN(c1nnc(C(C)C)n1Cc1ccc(-n2nc(C)cc2C)nc1)[C@H]1CCS(=O)(=O)C1 1740617096 LSQAEUQHMOGOSY-FQEVSTJZSA-N 467.599 2.274 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1Cc1nc(C)cs1)[C@H]1CCS(=O)(=O)C1 1740619476 PBVVVNUVKXALBV-AWEZNQCLSA-N 495.428 2.476 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCOCc1ccccc1)[C@H]1CCS(=O)(=O)C1 1740622901 KOTLYPOLUIISKH-NRFANRHFSA-N 465.579 2.492 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1740625010 LVDULFJEPYNPTD-OAQYLSRUSA-N 460.575 2.451 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCSC1(C)C)[C@H]1CCS(=O)(=O)C1 1740627256 OXDSXJWQBWJWTM-KURKYZTESA-N 452.646 2.331 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@]1(N(C)C)CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1740627752 SEVBRCUVFZIYHF-CTVDGRRTSA-N 477.675 2.309 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccccc2F)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1740765793 CLOQCCXWPJJGST-MUCNXURCSA-N 474.533 2.338 30 10 JEEE C=CCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1740859392 KYEKDTMLZBUROX-UHFFFAOYSA-N 463.586 2.154 30 10 JEEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1740884996 TYFHKWSYXCZDPS-UHFFFAOYSA-N 454.623 2.323 30 10 JEEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1740886459 ICUHWNYZJGIAMJ-UHFFFAOYSA-N 459.982 2.368 30 10 JEEE C=CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@H]1CCOC[C@@H]1OC 1740903321 UBSJLZBJHKOOSB-GMAHTHKFSA-N 454.619 2.317 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](c2cccc(F)c2)C1 1740964918 AYPSZQWCXFTISL-DSKINZAPSA-N 459.522 2.021 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCCN(C(=O)C2CC2)CC1 1740989749 WZKDXFDXVINIMP-UHFFFAOYSA-N 457.600 2.303 30 10 JEEE C=CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1740998064 HGQFTTCZCNCFTC-UHFFFAOYSA-N 458.979 2.499 30 10 JEEE CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCN(CC(C)C)C2)CCO1 1748208922 CFAIUPGXCXMXGD-RBBKRZOGSA-N 465.602 2.136 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1(NC(=O)OC(C)(C)C)COC1 1748672368 SRLVRAQQYZPOGR-SFHVURJKSA-N 496.616 2.204 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(CC)CC)n2C[C@@]2(O)CCSC2)c1 1748690752 WWJQMULMBGQHFE-DEOSSOPVSA-N 484.626 2.121 30 10 JEEE C#CCCCn1c(-c2cccc3cccnc23)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1748743550 GCBPDPGSSPRHOZ-UHFFFAOYSA-N 459.554 2.080 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CCCOC1)[C@@H]1CCS(=O)(=O)C1 1748804139 DQXVURUMZDHFQR-DOTOQJQBSA-N 496.431 2.099 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1CC(C)(C)OCC)[C@@H]1CCS(=O)(=O)C1 1748808481 CYABQJWMNCHQKJ-GOSISDBHSA-N 474.583 2.158 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(OC)ccc2Br)n1C[C@@]1(O)CCOC1 1748882330 OQDUJOSKOXMYQH-NRFANRHFSA-N 459.344 2.331 30 10 JEEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCS(=O)(=O)c1ccccc1 1748925251 FQAMHFTUYDVNHQ-UHFFFAOYSA-N 479.610 2.386 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1Cc1cccnc1N1CCOCC1 1748952941 AGMGCSKTNSLUAF-UHFFFAOYSA-N 457.538 2.183 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCc2ccc(OC)c(OCC)c2)CC1 1748991238 UERQTWTZCSFXTO-FQEVSTJZSA-N 466.586 2.025 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCNC(=O)C(C)(C)C)CC1 1749003812 WVHCPQCLPWGEEA-UHFFFAOYSA-N 496.612 2.090 30 10 JEEE C#CCSCCn1c(N2CCC[C@H](NC(=O)C(C)(C)C)C2)nnc1[C@]1(OCC)CCOC1 1749048730 UXWJNDBFBSYVDX-MBSDFSHPSA-N 463.648 2.428 30 10 JEEE COC1CCN(C(C)(C)Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@@H](C)CC(N)=O)CC1 1749186241 HZASJOOUDANPDG-KRWDZBQOSA-N 453.591 2.406 30 10 JEEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(c2ncc(F)cn2)CC1 1749604385 ORXIVMBVDSFVSG-UHFFFAOYSA-N 456.913 2.303 30 10 JEEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(S(=O)(=O)CC)CC1 1749630332 QTCXLWOMKWNDKE-QGZVFWFLSA-N 469.608 2.176 30 10 JEEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)[C@@H]2CCSC2)cc1 1749683342 QDPSHTTXCTWYMG-DOTOQJQBSA-N 451.618 2.443 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)C1 1749707452 FGLHDSPHBYKZRB-QKNQBKEWSA-N 457.550 2.437 30 10 JEEE C=CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1749756032 QQSANGFEBIWTAL-OAQYLSRUSA-N 486.642 2.356 30 10 JEEE COCCN(CCC#N)c1nnc(-c2cnccn2)n1CC1CCN(CC(F)(F)F)CC1 1749828496 COJCJTRVUZKSOZ-UHFFFAOYSA-N 452.485 2.376 30 10 JEEE COCCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1CCc1cc(C(F)(F)F)ccn1 1749830008 CWRYYNVJOOQVCK-INIZCTEOSA-N 451.453 2.252 30 10 JEEE CC(C)N(C)C(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCO[C@@H]2C)CC1 1750873109 DLWDFHJNVIUSNP-IQGLISFBSA-N 466.586 2.440 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CCC1(O)CCC1 1750965088 DBPSUFHOACFWTL-UHFFFAOYSA-N 455.538 2.059 30 10 JEEE CC1(C)CC(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@@](C)(C#N)C2)C1 1751285853 BMYBIWWCAMUPJK-UWJYYQICSA-N 450.609 2.177 30 10 JEEE Cc1cnn(CCn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)c1 1751728646 BCOSADMSDVLPPS-QZTJIDSGSA-N 471.587 2.192 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2CC(C)(C)C(=O)NC)c1 1760127514 BEWIGRNCOPMQFG-UHFFFAOYSA-N 459.554 2.092 30 10 JEEE C#CCCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1760142327 YYOIVTKDIBECKO-UHFFFAOYSA-N 494.640 2.258 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@H]1COc2ccccc2O1)[C@@H]1CCS(=O)(=O)C1 1760187466 WDRGNSXRQLXJRH-MSOLQXFVSA-N 458.584 2.333 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@H]1OCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1760193163 VPFFLTGELAXHKA-FXAWDEMLSA-N 476.574 2.438 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2Cc2c(CC)nn(C)c2OC)CC1 1760270259 MZEWLTBXYIZVDO-UHFFFAOYSA-N 493.587 2.327 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1CC[C@@H](C(F)F)N1CCOCC1 1760290745 OPJPBILEMQCTNN-CDNPAEQRSA-N 467.561 2.278 30 10 JEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1760348921 RBXHICFJEYBCFZ-UHFFFAOYSA-N 470.574 2.279 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1760514382 CZRKMHWAHRTFNR-UHFFFAOYSA-N 499.579 2.043 30 10 JEEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2c(cccc2OC)C1 1760566617 YMKXJLQBROOFGL-HXUWFJFHSA-N 493.655 2.102 30 10 JEEE C[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1)N(C)C 1761422785 HZNQZCIEXQUDFU-NQIIRXRSSA-N 499.616 2.409 30 10 JEEE C[C@H]1CCCN1CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1762937226 GBAWKGOHYIZRSI-ICSRJNTNSA-N 471.631 2.067 30 10 JEEE CCc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H](C)N1CCN(CC)CC1 1764553023 DAYGVCVTCLIVRY-UNMCSNQZSA-N 467.618 2.174 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@H](OC)[C@H](OC)C1 1772659996 FOPGOXBOVCHKEM-CALCHBBNSA-N 458.943 2.188 30 10 JEEE CC(=O)Nc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3sc4c(c3C#N)CCC4)CC2)cc1 1858635592 KNDLGMHDEKENAP-UHFFFAOYSA-N 487.607 2.012 30 10 JEEE O=C1c2ccccc2C(=O)N1CCOCCOS(=O)(=O)c1ccc(Br)cc1 1860406035 FIQBIXQOFZYQFE-UHFFFAOYSA-N 454.298 2.467 30 10 JEEE COc1cc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2CCCN2CCOCC2)ccc1O 1862556891 BCFKMEKGPHWJQM-JOCHJYFZSA-N 467.522 2.284 30 10 JEEE CC(=O)NCCN1C(=O)c2cccc(OCC(=O)Nc3sc4c(c3C#N)CC[C@@H](C)C4)c2C1=O 1865827935 RVHJVWFQROMZHZ-CYBMUJFWSA-N 480.546 2.494 30 10 JEEE C=CCOc1ccccc1OCC(=O)NC[C@H](O)CN(C)S(=O)(=O)c1cccc(Cl)c1 1868038342 MSLWTGNZIPDSLA-KRWDZBQOSA-N 468.959 2.081 30 10 JEEE CCOC(=O)N1CCN(C(=O)C(C)(C)NC(=O)C2CCN([C@H](C#N)c3cccs3)CC2)CC1 1868774578 KZTUWCHYDIUFKM-GOSISDBHSA-N 475.615 2.220 30 10 JEEE CSCC[C@H](NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1)C(=O)N1CCC[C@H](CO)C1 1868784477 XMPXFYNIZGQHSL-IHPCNDPISA-N 478.684 2.494 30 10 JEEE C=CCN=c1[nH]c(=NC[C@@H](O)c2ccc(Cl)cc2)[nH]c(=NC[C@H](O)c2ccc(Cl)cc2)[nH]1 1871740504 OXPYIVICRJNEEQ-KDURUIRLSA-N 475.380 2.333 30 10 JEEE Cc1cncnc1N1CCN(C(=O)[C@@H]2SCC(=O)N(C(C)C)[C@H]2c2ccc(C#N)cc2)CC1 1889546939 FDPIAUWENJRRMP-FCHUYYIVSA-N 464.595 2.399 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2COC[C@@]2(C(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)C1 2206624954 UQWGXEWGXWYHRZ-CMJOXMDJSA-N 459.352 2.203 30 10 JEEE CC(C)(C)OC(=O)NC1CC(O)(CNC(=O)c2csc(B3OC(C)(C)C(C)(C)O3)c2)C1 2255712543 OQWVDUGTZOPEIE-UHFFFAOYSA-N 452.382 2.195 30 10 JEEE CO[C@@H]1C[C@@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)N(C(=O)OC(C)(C)C)C1 2267145303 CQPWXMUVERLXGQ-UONOGXRCSA-N 467.397 2.197 30 10 JEEE CC1(C)OB(c2cncnc2C(=O)N[C@@H](CNC(=O)OCc2ccccc2)C(F)(F)F)OC1(C)C 2267272972 GQICTJHGMYBBDY-INIZCTEOSA-N 494.279 2.363 30 10 JEEE CCO[C@@H]1C[C@H](NC(=O)OC(C)(C)C)[C@H]1NC(=O)c1ccoc1B1OC(C)(C)C(C)(C)O1 2267555912 SYCVMXGCARCBJI-ARFHVFGLSA-N 450.341 2.379 30 10 JEEE CN(CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)C(=O)[C@H]1C[C@H]1B1OC(C)(C)C(C)(C)O1 2267580386 GAGZUIWBLLSHMK-JKSUJKDBSA-N 451.373 2.006 30 10 JEEE CC1(NS(=O)(=O)c2ccc(F)c(B3OC(C)(C)C(C)(C)O3)c2)CN(C(=O)OC(C)(C)C)C1 2267709946 KUGXJTOJGBOXOA-UHFFFAOYSA-N 470.372 2.413 30 10 JEEE CC(C)(C)OC(=O)N1CC2(C(=O)N=c3nc(B4OC(C)(C)C(C)(C)O4)[nH]s3)CCC1CC2 2268629842 BXOUGBCEPKKSSI-UHFFFAOYSA-N 464.397 2.377 30 10 JEEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(C(=O)N=c1nc(B3OC(C)(C)C(C)(C)O3)[nH]s1)C2 2268715696 KREIFPCVJADBJH-KBPBESRZSA-N 464.397 2.376 30 10 JEEE Cc1nc(C(=O)N(CCNC(=O)OC(C)(C)C)C[C@H](C)O)c(B2OC(C)(C)C(C)(C)O2)s1 2269886924 CWCBRWUWVXYPNH-ZDUSSCGKSA-N 469.413 2.098 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](O)CN1C(=O)c1cccc(F)c1B1OC(C)(C)C(C)(C)O1 2281782526 XSGHJQAWBRUROK-CABCVRRESA-N 464.343 2.225 30 10 JEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1F 2281787058 YQQAGJYLGVRACP-QZTJIDSGSA-N 464.343 2.489 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H]([S@](C)(=O)=NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2281987274 XNJVYFQFIRBGJO-NQXFHFKASA-N 482.412 2.250 30 10 JEEE Cc1c(C(=O)NC[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281988553 OCCVQAWPUWIZBY-CVEARBPZSA-N 462.400 2.451 30 10 JEEE Cc1c(C(=O)N2C[C@@H]3[C@H](CCN3Cc3ccccc3)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281991695 DOQAVKFVURTCAJ-WOJBJXKFSA-N 450.392 2.374 30 10 JEEE Cc1c(C(=O)N[C@@H]2[C@@H]3CCCN(C(=O)OC(C)(C)C)[C@H]32)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281992081 JTFSVDQJMWMFMX-USXIJHARSA-N 460.384 2.155 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2COCC[C@H]2NC(=O)OC(C)(C)C)n1 2282042473 CKBQRFNZDYNRRS-SJORKVTESA-N 461.368 2.101 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1COCCN1C(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1F 2282146929 GQVMWYYUSSMZBK-OAHLLOKOSA-N 464.343 2.491 30 10 JEEE CO[C@H]1C[C@@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cn2C)N(C(=O)OC(C)(C)C)C1 2282176473 UFUHCBMRHCMTDN-IRXDYDNUSA-N 463.384 2.079 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N=[S@](C)(=O)CCN(C)C(=O)OC(C)(C)C 2282581628 KIPUYPUOIZXMRQ-MGBGTMOVSA-N 484.428 2.133 30 10 JEEE Cc1cc(C(=O)N[C@@H]2CO[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)oc1B1OC(C)(C)C(C)(C)O1 2282585770 PYEQEAXNIUQVAJ-BFYDXBDKSA-N 462.352 2.251 30 10 JEEE CC(C)(C)OC(=O)N1CC(N2CCN(C(=O)c3csc(B4OC(C)(C)C(C)(C)O4)c3)CC2)C1 2282636538 NPNGGGIPPAFZSJ-UHFFFAOYSA-N 477.436 2.424 30 10 JEEE CN(C)C(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2282828711 TYPBSWAUWVFUQF-UHFFFAOYSA-N 476.379 2.404 30 10 JEEE C[C@H]1C[C@H](NS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CCN1C(=O)OC(C)(C)C 2282864824 LIUFSGXKFDCZOP-DOTOQJQBSA-N 481.424 2.447 30 10 JEEE CCO[C@H](CNC(=O)OC(C)(C)C)CC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)c(C)n1 2283957708 ZRTRLMANDMJDKR-HNNXBMFYSA-N 464.372 2.343 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCOC[C@@H]1CC(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2283975234 PXFLDQPZLZYNQT-LSDHHAIUSA-N 481.424 2.378 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@H]2[C@H](C(=O)NCc3ccccc3B3OC(C)(C)C(C)(C)O3)[C@H]21 2284036691 JCJYTZDUCPVGLY-GUDVDZBRSA-N 458.364 2.236 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H](NS(=O)(=O)Cc3ncsc3B3OC(C)(C)C(C)(C)O3)[C@H]1C2 2359276219 ZSKFIHQNKQHGNG-IIAWOOMASA-N 499.464 2.260 30 10 JEEE C=CCN(CC(=O)c1c(N)n(Cc2ccccc2)c(=O)n(CC)c1=O)Cc1cccc(C#N)c1 109374068 FTNUJBAWUREWLS-UHFFFAOYSA-N 457.534 2.403 30 10 JEEE COc1ccc(C=Nn2c(O)nc3c([nH]c4ccc(F)cc43)c2=O)cc1CN1CCOCC1 254822261 MJGKANARINYBIF-UHFFFAOYSA-N 451.458 2.446 30 10 JEEE COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1-c1ccc(F)c(Cl)c1 514327025 AAZKESCHGGNCQM-CQSZACIVSA-N 471.941 2.346 30 10 JEEE COCCOc1ccc(F)cc1NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 608996112 SBVXWZFLVCKRML-UHFFFAOYSA-N 462.503 2.261 30 10 JEEE C#CCN(C(=O)c1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1C)[C@H]1CCS(=O)(=O)C1 729332462 YJUOKWLHDJSIAG-SFHVURJKSA-N 464.540 2.197 30 10 JEEE C=CCNc1nnc(SCC(=O)N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)s1 749416183 LKKCCJYYKBNOTP-RIYZIHGNSA-N 465.626 2.373 30 10 JEEE COc1ccc(C(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)cc1S(C)(=O)=O 1125700415 DPENAQXGWHWDGN-UHFFFAOYSA-N 450.520 2.481 30 10 JEEE C#CC[C@@]1(C(=O)N2CCN(Cc3ccc(C(N)=O)cc3)CC2)CCCN1C(=O)OC(C)(C)C 1144170530 PIVKGNBRAZWUMC-VWLOTQADSA-N 454.571 2.223 30 10 JEEE C#CCN(CC(=O)N1CCNC(=O)[C@@H]1c1cccc(Br)c1)C(=O)OC(C)(C)C 1150976020 PMXSSHCEOYUPGO-KRWDZBQOSA-N 450.333 2.319 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CCNC(=O)c2cccs2)c1 1286309127 HJEKYAIJIOPSBW-UHFFFAOYSA-N 488.577 2.226 30 10 JEEE C#CCCCCn1c(-c2ccccn2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1286319478 KHCXKPJSZPMRAN-UHFFFAOYSA-N 463.586 2.084 30 10 JEEE C#CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1286339232 UUFDDPXCULLUFJ-IBGZPJMESA-N 463.542 2.033 30 10 JEEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1286340384 ZRRUWEUJVOOBHX-FQEVSTJZSA-N 496.612 2.127 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CC1CCN(CCC)CC1)[C@H]1CCS(=O)(=O)C1 1286390649 DFJJJPBURJFJBJ-QFIPXVFZSA-N 470.643 2.013 30 10 JEEE C#CCN(c1nnc([C@@H]2COc3ccccc3O2)n1CCN(C)[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1286391196 CWYPSPNUITXVSF-KNKQGSTJSA-N 487.626 2.148 30 10 JEEE C#CCSCCn1c(CCOc2ccccc2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1286509005 SFGIXOAYOPBEPC-URXFXBBRSA-N 496.681 2.255 30 10 JEEE C#CCSCCn1c(N2CCC[C@@H](CN3CCOCC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1286513013 PQZHILICMIEHJM-XUZZJYLKSA-N 477.675 2.234 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(=C)Cl 1286765801 KDFVOMWLTJEYLM-QGZVFWFLSA-N 455.968 2.192 30 10 JEEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)Cc1cnc(C)s1 1286786596 VBHKOVSCWHFIPC-UHFFFAOYSA-N 450.528 2.297 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2C[C@@H](C)N(C)C)C1 1286809270 QNYCAAWGDVMJJD-QZTJIDSGSA-N 451.575 2.406 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(Cc2cc(C)no2)CC1 1286820106 FDQTVFUETKMIQF-UHFFFAOYSA-N 450.609 2.086 30 10 JEEE C=C[C@@H](COC)NC(=O)c1cc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2OC)ccc1F 1296765764 RZEAKVHWYKUWBM-LBPRGKRZSA-N 453.448 2.474 30 10 JEEE COc1ccc(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@H]2CCCS(=O)(=O)C2)cc1 1300280594 GGFYFYVABHFKEQ-IIBYNOLFSA-N 463.535 2.132 30 10 JEEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccccc1OC)N1CCCC1 1300457772 AIVSQLPJEPMFSE-ICSRJNTNSA-N 457.600 2.095 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@H]1CCCN1CC)[C@@H]1CCS(=O)(=O)C1 1300498504 KRIKOYWPTNREMG-QZTJIDSGSA-N 477.581 2.258 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1CCN(C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1300503025 ACUTWNDPPSVINI-HXUWFJFHSA-N 459.616 2.132 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(Br)c2)n1CCN1CCCS1(=O)=O 1300559241 MLXJUEIEEUCXBZ-UHFFFAOYSA-N 476.400 2.206 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(OC)cc2)nnc1N1CCS(=O)(=O)CC1 1300896924 LZCUVMSEQABMBS-LAUBAEHRSA-N 462.572 2.082 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2cccc(F)c2)CC1 1300991540 UKBZSPQVDKZBLB-FQEVSTJZSA-N 477.606 2.234 30 10 JEEE C=C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCCN2CCC[C@H]2C(=O)N(C)C)CC1 1301069768 DVWVRIAJCONMNQ-SQJMNOBHSA-N 474.650 2.418 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(OCCN(C)C)cc2)CC1 1301085880 QBWKKHDXGJWYNI-HXUWFJFHSA-N 459.616 2.325 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@H](Cn2cccn2)C1 1301480735 DOLOWQUFAOFLKD-PXNSSMCTSA-N 485.976 2.476 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1301515456 VCDXCRADBQMVMO-UHFFFAOYSA-N 483.548 2.225 30 10 JEEE CCOc1ccc(C(=O)N2CSC[C@@H]2C(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1 1358418487 BCJFCHYAVYPGRU-HXUWFJFHSA-N 451.552 2.216 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1358876574 MNNURRZHUQXLOR-HUUCEWRRSA-N 453.515 2.286 30 10 JEEE C#CCCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC[C@@H](C(=O)NC)C1 1358915864 RKMFXFSICGPAJO-HSZRJFAPSA-N 477.657 2.409 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccc(OC(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 1358964322 XIHWTERQUJBCLN-DLBZAZTESA-N 466.510 2.058 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(C(=O)NCC)c1 1358983992 DQQZTYMQPWUPRU-UHFFFAOYSA-N 455.522 2.186 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1OC1CCCC1 1359010349 MUYRVQKEHIDXHS-JOCHJYFZSA-N 487.626 2.440 30 10 JEEE C#CCN(CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC1CCN(C(C)=O)CC1 1359012750 YAHYCZLTKOUVJC-UHFFFAOYSA-N 477.657 2.361 30 10 JEEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCC[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 1359037917 DBTNMUSBHRSQFQ-OAQYLSRUSA-N 499.660 2.335 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H](COC)OC)CC1 1359045734 RGZMUSIDAYCQGT-HXUWFJFHSA-N 459.978 2.150 30 10 JEEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)c1ccc(F)c(F)c1 1359056940 OBRXPSZGSMXZPH-HNAYVOBHSA-N 499.609 2.453 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1CN(C(=O)OC(C)(C)C)C1 1359107590 PYQQKESIWGMJQP-HNNXBMFYSA-N 456.613 2.158 30 10 JEEE C=C(C)Cn1c(COc2ccc(OC)cc2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1359124674 XTHLURVZXNUQMQ-XXBNENTESA-N 468.602 2.431 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1359296063 VWCNPEWVIVXOED-NYHFZMIOSA-N 461.950 2.294 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1359329578 NSGVSFLMMMKACG-QHCPKHFHSA-N 476.599 2.329 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(Cc1cccs1)C(C)C 1359333499 ZNRXVQVXRLDVOM-MRXNPFEDSA-N 472.658 2.258 30 10 JEEE CC(C)NS(=O)(=O)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H](C)CC#N 1360319008 BOZNWTZCHPYLMX-IRXDYDNUSA-N 483.639 2.416 30 10 JEEE Cc1nc(NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)nn1-c1ccccc1 1436384627 DARUQDLIEVLTQH-UHFFFAOYSA-N 450.524 2.487 30 10 JEEE CN(C)[C@@H](Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCO[C@H](C#N)C1)C1CC1 1503381503 BZJTVTMPCBVGSA-UXHICEINSA-N 473.622 2.462 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2C[C@@](C)(O)CCC)c1 1507551170 BQFYTBYWTBFALI-DEOSSOPVSA-N 452.559 2.008 30 10 JEEE C#CCN(c1nnc(CCCc2ccccc2)n1Cc1nnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1507637404 APPUOLNHGURSGS-LJQANCHMSA-N 470.624 2.288 30 10 JEEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1Cc1ccccc1C)[C@H]1CCS(=O)(=O)C1 1507640985 XGPKPHQIKIPAKM-IBGZPJMESA-N 483.619 2.253 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CC(F)(F)CO1 1507665520 PKSXQXODFAVLAV-INIZCTEOSA-N 462.526 2.125 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCCC(=O)NC2CC2)CC1 1507719589 OYDVOPFPURSGMA-SFHVURJKSA-N 454.550 2.371 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2CCN(C)CC(F)(F)F)CC1 1507741183 WGUMKIGTPOWLSX-UHFFFAOYSA-N 496.509 2.456 30 10 JEEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N(C)C1CCN(CCn2cccn2)CC1 1507756327 YUHYTPRPKFVJHA-HXUWFJFHSA-N 457.648 2.336 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(N2CCCNC2=O)CC1 1507825552 ZQTNEVUOOROJPS-UHFFFAOYSA-N 487.630 2.156 30 10 JEEE C=CCN(CC=C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(=O)NCC(F)(F)F 1508018186 ALAQKASGDWGHAU-UHFFFAOYSA-N 464.496 2.309 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CC[C@@H](COC)C1 1508087318 OUSBUMKGJGTKCC-QGZVFWFLSA-N 465.558 2.011 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc3ccccc3o2)nnc1N1CCC(S(C)(=O)=O)CC1 1508133857 MLSPGVBBGAZHKX-UHFFFAOYSA-N 478.596 2.306 30 10 JEEE C=CCSCCn1c(COc2ccc(F)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1508166515 AJZPGRYBFVDNJU-INIZCTEOSA-N 469.608 2.386 30 10 JEEE CC[C@H](C)NC(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1513178205 BYORBOYVUWFMIR-NSHGMRRFSA-N 481.605 2.201 30 10 JEEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(OC(F)(F)F)c(Br)c2)C1=O 1531318091 YTHGMWHQKDTMLK-UHFFFAOYSA-N 450.167 2.263 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC(=O)NCc1ccco1 1538965062 MDWPBELPIANLHP-OAHLLOKOSA-N 454.918 2.229 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@](C)(OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1539210893 FFLRTCMQJYRINZ-NFBKMPQASA-N 453.568 2.259 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCCOCC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1539213338 YAYAVEHMBPGOAO-FQEVSTJZSA-N 476.599 2.307 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@@]1(O)CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1539226430 XQXPGPKOSZIUOZ-NLFFAJNJSA-N 486.638 2.445 30 10 JEEE C#CCN(CC#C)c1nnc([C@H](C)Oc2ccccc2F)n1CCN/C(O)=C1/N=CC=CC1=O 1539238852 DBZSGTXYJWAOOZ-JHGXHUTESA-N 462.485 2.156 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(C)CN(C2CC2)C1=O 1539326239 SQIIUEDCRJURRN-IBVKSMDESA-N 496.612 2.060 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2CC(C)(C)O)CC1 1539473787 BEWJOUHHTNOPNL-UHFFFAOYSA-N 469.586 2.479 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2C[C@@H](C)SC)CC1 1539474317 OJLHHOGOBOMRFZ-MRXNPFEDSA-N 455.584 2.434 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CC(=O)Nc2c(C)cccc2C)CC1 1539484651 XUECZHRKRHRNPV-UHFFFAOYSA-N 485.592 2.485 30 10 JEEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCC(CC(=O)N2CCN(CC)CC2)CC1 1539742682 JMVAILIZMGXHFA-UHFFFAOYSA-N 484.649 2.042 30 10 JEEE C=C(C)COCCn1c(N2CCCC[C@H](S(C)(=O)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1539758834 AEXAZGGDBKFXRK-SIKLNZKXSA-N 470.636 2.315 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCCCO2)n1C[C@@]1(O)CCS(=O)(=O)C1 1540120192 PJODACBSWIBAGV-REWPJTCUSA-N 476.599 2.271 30 10 JEEE C=CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 1540855966 IZSZOSPUHCVZSU-INIZCTEOSA-N 454.984 2.056 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCc2c(ccnc2O)C1 1540870650 SAMAQOWTAOSSKG-GOSISDBHSA-N 497.600 2.358 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 1540906832 CZDGWIKPLZWGAM-KRWDZBQOSA-N 453.609 2.277 30 10 JEEE CN(C)C(=O)[C@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CC12CCN(S(C)(=O)=O)CC2 1548379697 YCVOBERXDWKYDG-QGZVFWFLSA-N 458.506 2.143 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1cccc(CN2CCO[C@@H](C)C2)c1 1587662370 NCNLHHDZVBFMQT-UXHICEINSA-N 450.587 2.127 30 10 JEEE C#CCCCn1c(N(C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)nnc1[C@]1(OCC)CCOC1 1587894120 NVVZELSSZFNSFS-JTSKRJEESA-N 461.588 2.188 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H](CC)Oc1ccccc1F)[C@H]1CCS(=O)(=O)C1 1588049966 ONZOELMREKHGAQ-ROUUACIJSA-N 484.557 2.359 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCc1ccccn1 1588193387 BZMOSKAYRBBSEP-UHFFFAOYSA-N 462.579 2.296 30 10 JEEE C#CCN(CC)c1nnc(-c2ccccc2Br)n1CCN1CCCS1(=O)=O 1588297667 COYHENJRRRVNPK-UHFFFAOYSA-N 452.378 2.203 30 10 JEEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1589460437 PCSLPOFFVJJWNC-AYOQOUSVSA-N 481.439 2.417 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCOC2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1589546851 RUKXHSDHHWCTDB-XJUOHMSHSA-N 474.650 2.144 30 10 JEEE C=CCCOCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](C)O[C@H](COC)C1 1594813214 QOYHDZOQZPYFND-UFYCRDLUSA-N 495.621 2.419 30 10 JEEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1-c1cnn(C)c1)C1CC1 1595020582 KCSMYRLIFQRKOP-MRXNPFEDSA-N 455.588 2.492 30 10 JEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCCN(c2nccs2)CC1 1595562436 YXEUHYMFHVEPNV-UHFFFAOYSA-N 458.617 2.109 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 1595812071 MKAQMJZQHRHZBZ-GOSISDBHSA-N 451.637 2.210 30 10 JEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1ccc(COC2CCOCC2)cc1 1636946768 IFFJWYOIUWYZJK-QGZVFWFLSA-N 457.552 2.237 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)N(C)C2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)ccc1F 1640746817 YVFSLNQAIBFNON-HUUCEWRRSA-N 453.536 2.227 30 10 JEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H](NC(=O)c3ccc(Cl)cc3)C2)c1 1647998078 HXEQEFPTRALCKL-LJQANCHMSA-N 459.955 2.286 30 10 JEEE C=CCNS(=O)(=O)c1ccc(C(=O)N(C)Cc2nnc3n2C[C@@H](C(F)(F)F)CC3)cc1 1649373477 CKHRJMBXKAVAKM-AWEZNQCLSA-N 457.478 2.139 30 10 JEEE CC(=O)N1CCN(CCOc2ccc(CCNC(=O)Nc3snc(C)c3C#N)cc2)CC1 1661550087 LHOVHPJSYLECBW-UHFFFAOYSA-N 456.572 2.230 30 10 JEEE C#CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](CNC(C)=O)C1 1689906610 PHMFZVBQEWIHHB-PMACEKPBSA-N 474.606 2.495 30 10 JEEE C#CCCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)CCc2ccc(OC)cc2)CC1 1689924589 MERCODHRROJRRQ-UHFFFAOYSA-N 461.570 2.382 30 10 JEEE C#CCN(c1nnc(-c2ccccc2F)n1CC(=O)NC1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1689986008 GVSCHCYHWPGWJL-GOSISDBHSA-N 473.574 2.160 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCN(CC)CCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1689998892 ZWUDDUVFLLWVRT-IAGOWNOFSA-N 477.553 2.031 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCS(=O)(=O)NC(C)C 1690055338 SBDJZPFQBWHGPS-IBGZPJMESA-N 492.646 2.141 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC(=O)NCc2ccco2)CC1 1690117880 YZMGFKBXRXJADL-UHFFFAOYSA-N 468.945 2.272 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1690137754 HYDKADBXLHRYQW-UWJYYQICSA-N 496.587 2.438 30 10 JEEE C=C(Br)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC(=O)N(C)C[C@H]1C 1690229071 MVSREWXRUIEYDH-HUUCEWRRSA-N 499.410 2.162 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccnc2)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1690243115 HKGFBYGYZCPSPD-NJYVYQBISA-N 475.615 2.351 30 10 JEEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1690308263 HRRBDLBUBZTOPT-UHFFFAOYSA-N 453.547 2.444 30 10 JEEE C=C(Cl)Cn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1690343770 CVSDNYKOEPKSGF-IBGZPJMESA-N 451.015 2.449 30 10 JEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCO[C@@H](COc2ccccc2)C1 1690674375 YRLUAMRQOWYHHD-HXUWFJFHSA-N 468.583 2.220 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(OCC)c(OC)c2)C1 1690699335 CRYWTFLIHVPPCO-RTBURBONSA-N 476.599 2.417 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H]1c1cccc(OC)c1 1690723005 DZMMWXZUEQHWID-MOPGFXCFSA-N 459.572 2.180 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2CCCN2CCC(O)CC2)c1 1705506987 NXFMUWOZAQQFPG-OAQYLSRUSA-N 480.613 2.075 30 10 JEEE C#CCCCCn1c(N2CCN(C(=O)c3ccccn3)CC2)nnc1[C@@]1(OCC)CCOC1 1705522127 WCUZQYVUBBSHQF-XMMPIXPASA-N 452.559 2.091 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)c1ccc(OC)cc1 1705533790 ZWODAUHJPWDZIG-XLIONFOSSA-N 461.588 2.230 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1([S@](C)=O)CCC1)[C@@H]1CCS(=O)(=O)C1 1705571565 BDPHEQSHIXEOPT-QZGZNOCVSA-N 496.699 2.125 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H](C)Oc2cccc(C)c2)CC1 1705635091 QUOXUJZWVKJYBI-OFVILXPXSA-N 453.587 2.461 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)Oc2cccc(F)c2)CC1 1705644039 XDZWNDREQBIMOQ-SFHVURJKSA-N 482.560 2.087 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCCOC)CC1 1705648139 OLSZVSSLDCUBFM-HXUWFJFHSA-N 488.633 2.395 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1705693770 KFQUZSJUWRMLFH-SBHAEUEKSA-N 467.574 2.211 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)nnc1[C@]1(OCC)CCOC1 1705708273 AJESCYIRCBMJPK-DIGZUXTDSA-N 470.636 2.169 30 10 JEEE C=C(C)Cn1c(COc2ccccc2OC)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1705729581 HCHICICFCZTHON-IBGZPJMESA-N 454.575 2.185 30 10 JEEE C=CCCCn1c(N(C)C2CCN(S(C)(=O)=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1705823642 QXKXMKCHKWFZBR-NRFANRHFSA-N 455.625 2.145 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1705898967 DKZYFOHLTGCMSU-GOSISDBHSA-N 486.374 2.321 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(Cl)cc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1705938370 WOQSFXYFYATMJH-LJQANCHMSA-N 491.017 2.288 30 10 JEEE C=CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1705942728 BLKYZNUIZWEUIL-OAQYLSRUSA-N 477.660 2.120 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCCn1cc(Br)cn1 1722285540 XLZUJVDVSGVCTC-CQSZACIVSA-N 457.336 2.433 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1conc1COC 1722292647 WRLANJFXZOFZRW-QAPCUYQASA-N 460.535 2.227 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H]1CCOC[C@H]1OC 1722293426 MUCNZISPMPCLFO-ABSDTBQOSA-N 450.543 2.184 30 10 JEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C(F)(F)F)C1 1722317679 VXESLLYTUYWRME-HZPDHXFCSA-N 463.526 2.193 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CCCC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1722367109 VBZSQJSOLNPPRK-QPPBQGQZSA-N 494.658 2.152 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1CCCN1CCCO[C@@H](C)C1 1722426303 GFZQBRYJIPZICJ-NZQKXSOJSA-N 469.586 2.378 30 10 JEEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(CS(C)(=O)=O)cc1 1722431629 NQRCQJOZLTVNTB-UHFFFAOYSA-N 455.540 2.058 30 10 JEEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1cccc([N+](=O)[O-])c1)C1CC1 1722557733 ZTDMDMSEWFGJQF-GOSISDBHSA-N 496.977 2.441 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@H](C(F)(F)F)C1 1722694579 AGYKXSDAEJTUCC-INIZCTEOSA-N 455.437 2.032 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1722702564 PSNJRVPKGKGMGD-OAQYLSRUSA-N 468.602 2.077 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1c(F)cccc1Cl 1722727851 LVLKUWPNKUTUSX-AWEZNQCLSA-N 491.010 2.210 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Br)n1C[C@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1740618734 BCXSKDDASMUDIC-HOTGVXAUSA-N 480.432 2.284 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@](C)(O)c1ccco1 1740684478 SLNZAORFPGKFNU-RUZDIDTESA-N 476.537 2.262 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCOc2ccc(C)cc2)CC1 1740703048 DVFSCFKDFNZXEG-AREMUKBSSA-N 481.597 2.283 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2Cc2cccnc2OCCOC)CC1 1740704586 UBICPXKXAFPNMC-UHFFFAOYSA-N 474.565 2.379 30 10 JEEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1740718498 PQEXQCJSCOQCCV-NRFANRHFSA-N 489.667 2.191 30 10 JEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(Cc2ccccc2)C[C@H]1C 1740720332 VBZNBWNQFICUAQ-HXUWFJFHSA-N 452.628 2.478 30 10 JEEE C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CCN2[C@H](C)CC[C@H]2C)CC1 1740777619 RAKGJPYSXXJAOR-WOJBJXKFSA-N 452.607 2.496 30 10 JEEE C=CCC(C)(C)Cn1c(Cc2ccncc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1740849748 WBWFNIFCDOGOHG-UHFFFAOYSA-N 465.602 2.137 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC[C@](C)(CC)O1 1740931733 BDZVLFDVYPTVOR-LQWHRVPQSA-N 453.609 2.137 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1740963648 RXOOBHDMJUTXTF-OAQYLSRUSA-N 482.629 2.466 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](OC)c2ccc(F)cc2)C1 1740980088 HSJZOJAXWKQESM-SXLOBPIMSA-N 464.563 2.488 30 10 JEEE C[C@@H](Cn1c(COc2ccc(F)cc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C)N(C)C 1741864085 HAVPKSFBHRLNDU-ZWKOTPCHSA-N 479.564 2.323 30 10 JEEE CNC(=O)[C@@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2C[C@H](C)O[C@H](C)C2)C1 1748132927 FAGPGXSPRSGLRG-CEYNDMKZSA-N 465.602 2.278 30 10 JEEE C#CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1748803310 RMAIVMSXUBQQJZ-UAFMIMERSA-N 463.648 2.470 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OC2CCCC2)nc1 1748864176 SDCUHZNXGDZBQI-SFHVURJKSA-N 470.599 2.116 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCc2noc(CC)n2)CC1 1748991506 YZVFDELTAPRJII-LJQANCHMSA-N 498.632 2.336 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCSC(C)C)CC1 1749001089 HXOULVJOXIELQY-UHFFFAOYSA-N 455.588 2.033 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCc2cc(C)ccc2OC)CC1 1749015434 VZAKKAAUHMDQNY-NRFANRHFSA-N 451.571 2.308 30 10 JEEE C#CCSCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1749038222 ITWDEAWJJZMQOQ-RTBURBONSA-N 488.658 2.474 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1749120481 DSKYCZZMTOGWIF-FCZZECIWSA-N 494.390 2.377 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(NS(C)(=O)=O)CC1 1749377534 WOHLKGZBDFFHDI-WMZOPIPTSA-N 455.625 2.122 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1749679837 BSHBMAJPAIJHEV-IBGZPJMESA-N 468.602 2.479 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCSC[C@@H]1C 1749687488 UKNKPQQAUGNLKT-HOTGVXAUSA-N 451.618 2.443 30 10 JEEE C=CCOc1ccccc1Cn1c(N2CC[C@H](C(N)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1749690104 RBGQUKVLAXGQAJ-CYFREDJKSA-N 455.559 2.243 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](c2ccc(F)c(F)c2)C1 1749734153 FJEHGVKITRMASA-VQIMIIECSA-N 468.526 2.239 30 10 JEEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1749754032 FBOKYNBLHIKGGZ-QGZVFWFLSA-N 450.609 2.453 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OCCC)c(OC)c2)n1CCC(=O)N1CCOCC1 1760107011 JKSLQIPSYNRFHQ-GOSISDBHSA-N 455.559 2.449 30 10 JEEE C#CCCCCn1c(CCOc2ccccc2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1760140935 DSSAAXHCBJOZKH-JOCHJYFZSA-N 464.570 2.470 30 10 JEEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCCN(c2nc(CC)ns2)CC1 1760141051 ICRIVMBZPUADGG-UHFFFAOYSA-N 456.620 2.335 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1Cc1ccoc1)[C@H]1CCS(=O)(=O)C1 1760181649 ZATDNJNIGHMNMC-SFHVURJKSA-N 456.524 2.230 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1C[C@H]2CC[C@H]1C2)[C@@H]1CCS(=O)(=O)C1 1760181688 AAGBELDUJDENFM-CGBFIWBNSA-N 461.632 2.259 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CC[C@@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1760182397 FGUAPVQQXGIHAQ-SFTDATJTSA-N 453.568 2.403 30 10 JEEE C#CCN(c1nnc(-c2nnc(O)c3ccccc23)n1CCOC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1760187759 FXOPGJZNGFPVIC-MRXNPFEDSA-N 484.582 2.036 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@@](C)(O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1760191224 CZYOUSFHBURULJ-AUSIDOKSSA-N 460.600 2.199 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCCO2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1760218382 FOANHQJXUREANT-NJYVYQBISA-N 459.616 2.187 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2Cc2ncccc2N(C)C)CC1 1760264526 RKAIVAFYJUJIHC-UHFFFAOYSA-N 461.570 2.130 30 10 JEEE C#CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@H](C(=O)OC)C1 1760279723 IXNQFIKMBOYXMK-INIZCTEOSA-N 466.567 2.041 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC(N2CCCC2=O)CC1 1760515433 DYSXOXSCOUSUEA-QGZVFWFLSA-N 470.549 2.451 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1760551442 FWRCHGRHERAXSD-FQEVSTJZSA-N 476.647 2.052 30 10 JEEE CCCOc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCc2n[nH]c(C)n2)cc1OC 1764594835 HXASKPRNJXNUOR-KRWDZBQOSA-N 452.519 2.141 30 10 JEEE CCO[C@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@H](C)N2CCN(CC)CC2)CCOC1 1767449069 CTNWHXIWCAIZQN-TUACAJSNSA-N 459.639 2.086 30 10 JEEE CN(CCc1cnccn1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCCS1(=O)=O 1768858716 HLHSZIXGRFPRTQ-NRFANRHFSA-N 481.582 2.165 30 10 JEEE COc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)c(C(F)(F)F)c1 1770199293 CDDBWRJPMDEKRN-SGTLLEGYSA-N 490.483 2.406 30 10 JEEE COCc1nnc(SCC(N)=O)n1/N=C/c1cc(Br)c(OC(C)C)c(OC)c1 1874499352 NZEOPDYNFVVCJM-IFRROFPPSA-N 472.365 2.442 30 10 JEEE CC(C)N1C(=O)CS[C@H](C(=O)NCC2(OCCO)CCSCC2)[C@@H]1c1ccc(C#N)cc1 1890252150 YNEHOGDNHSYDLE-SFTDATJTSA-N 477.652 2.343 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](CC(=O)NCc2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2180980807 MRXHXVKPYRNXIK-IEBWSBKVSA-N 460.380 2.220 30 10 JEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C(=O)N2C[C@H]3C(B4OC(C)(C)C(C)(C)O4)[C@@H]3C2)[C@H]1OC 2205488400 LHPFRGWAYBJNJN-WGMGUUHVSA-N 466.384 2.186 30 10 JEEE C[C@@H](CNC(=O)OC(C)(C)C)NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2247901077 DULKFMIRYNIKBS-ZDUSSCGKSA-N 460.427 2.380 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1CCN1S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2247953004 QTANCYSBPANDIX-ZDUSSCGKSA-N 458.411 2.335 30 10 JEEE CC(C)(C)OC(=O)N1CC([S@](C)(=O)=NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)C1 2255705058 PORAAQBFCVPZGQ-HKBQPEDESA-N 454.354 2.436 30 10 JEEE C[C@@H]1CCC[C@@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)N1C(=O)OC(C)(C)C 2256639261 HMXAXKQNENIEQC-OLZOCXBDSA-N 452.386 2.376 30 10 JEEE C[C@H](O)CN(CCNC(=O)OC(C)(C)C)C(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2257591068 URKOUKBLECTOQM-AWEZNQCLSA-N 454.398 2.395 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC2(CO)CN(C(=O)OC(C)(C)C)C2)s1 2267110014 XSDZUXHGWSSGSA-UHFFFAOYSA-N 466.409 2.315 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]1CNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2267463881 DFICDKZYEKDXAD-UONOGXRCSA-N 487.453 2.023 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCCCCNC(=O)OC(C)(C)C 2267517569 VJUXOPABSHIAET-UHFFFAOYSA-N 450.389 2.453 30 10 JEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 2267521058 OCBZIYFNIJYRLU-QFIPXVFZSA-N 466.409 2.457 30 10 JEEE C[C@H](CCCN(C)C(=O)OC(C)(C)C)NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2267547787 NKNJPRFKIFUVSF-OAHLLOKOSA-N 450.389 2.485 30 10 JEEE C[C@@H]1OCCN(C(=O)OC(C)(C)C)[C@@H]1C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2268634690 JKTJXKUKXITBJA-ZFWWWQNUSA-N 467.397 2.083 30 10 JEEE CC(C)(C)OC(=O)NC1(C(=O)O)CC(Oc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2269021556 UGHGLKGIICJZPI-UHFFFAOYSA-N 452.288 2.409 30 10 JEEE CO[C@@H]1CN(C(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2F)C[C@@H]1NC(=O)OC(C)(C)C 2281781452 KCAPFAZWZMFTBL-DLBZAZTESA-N 464.343 2.489 30 10 JEEE CC(C)n1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H]1COC[C@@H]1NC(=O)OC(C)(C)C 2281814729 MZACYDFHZQCVCP-IRXDYDNUSA-N 463.384 2.390 30 10 JEEE Cc1cnc(C(=O)N2C[C@@H](C)C[C@@H](NC(=O)C(F)(F)F)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2281956677 BCNLDBYJQRWMKR-UONOGXRCSA-N 455.286 2.218 30 10 JEEE CC(C)(C)OC(=O)N1CC(N(C(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)[C@H]2CCOC2)C1 2282014779 SJRNFMJUTQEJGE-AWEZNQCLSA-N 479.408 2.293 30 10 JEEE CCc1nc(C(=O)N2CCOC[C@H]2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2282023809 RVOPFSFMPZJTFP-CQSZACIVSA-N 481.424 2.370 30 10 JEEE CCc1nc(C(=O)NC[C@@]2(NC(=O)OC(C)(C)C)CCOC2)c(B2OC(C)(C)C(C)(C)O2)s1 2282030805 KTVDSOUXNKNRNO-QFIPXVFZSA-N 481.424 2.418 30 10 JEEE CC(C)(C)OC(=O)N1CC(N(C(=O)c2occc2B2OC(C)(C)C(C)(C)O2)[C@H]2CCOC2)C1 2282041075 RPVCKYJRRGWHIN-HNNXBMFYSA-N 462.352 2.429 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCC1(CNC(=O)OC(C)(C)C)CC1 2282053743 JYBHECLSLGEVEZ-UHFFFAOYSA-N 462.400 2.453 30 10 JEEE CC(C)(C)OC(=O)N1CC(C[S@@](C)(=O)=NC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2282173299 HOAFCUITERUXIF-MGBGTMOVSA-N 479.408 2.486 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)CC2(CC2)C1 2282173400 IQYZDYJOVCMMFE-UHFFFAOYSA-N 458.368 2.249 30 10 JEEE CCC1(NC(=O)OC(C)(C)C)CC(NS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282301447 PGXKEQATQVNUHN-UHFFFAOYSA-N 481.424 2.495 30 10 JEEE C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282303688 ZPGFXMOGWMDFDX-YJBOKZPZSA-N 481.424 2.305 30 10 JEEE C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282354448 QOIWDMKIXHJILS-JKSUJKDBSA-N 481.424 2.305 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C(F)(F)C1 2282612885 WOEQQHRBPFXSNG-CQSZACIVSA-N 468.310 2.150 30 10 JEEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCCCC[C@@H]1NC(=O)OC(C)(C)C 2282701759 ZBYCAGNLKJJMJH-GJZGRUSLSA-N 463.388 2.070 30 10 JEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC[C@H](C)[C@@H](NC(=O)C(F)(F)F)C1 2282831407 JVVYGCYKYBBHHV-AAEUAGOBSA-N 496.382 2.433 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1C(=O)N1Cc2cccc(B3OC(C)(C)C(C)(C)O3)c2C1 2283969867 KFDJSGKUKCVYSK-PKOBYXMFSA-N 458.364 2.368 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1COC[C@@H]1C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2285186939 WUQYFJFSOUVGFZ-WMZOPIPTSA-N 464.343 2.281 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2C[C@@]2(CNC(=O)OC(C)(C)C)C1 2288248478 YFNGWFBQPYXELV-NPMXOYFQSA-N 460.384 2.189 30 10 JEEE CC1(C)OB(C#CCNS(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)OC1(C)C 2301136096 SLVLQPJWZKXZPN-UHFFFAOYSA-N 474.388 2.397 30 10 JEEE COc1ccccc1C=Nn1c(SCC(N)=O)nnc1[C@@H]1CC(=O)N(Cc2ccccc2)C1 2325918013 NUYAROOQLNNUCW-GOSISDBHSA-N 464.551 2.262 30 10 JEEE Cn1cc(C(=O)N2C[C@H]3C[C@H](NC(=O)OC(C)(C)C)C[C@@H]2C3)c(B2OC(C)(C)C(C)(C)O2)n1 2359268536 UKVRQHLABPYJGL-JYJNAYRXSA-N 460.384 2.237 30 10 JEEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@H]2CNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2359309873 DKPFBNABZWWGKO-XHSDSOJGSA-N 458.368 2.294 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(N2C[C@@H]3[C@H](C2)CN(C(=O)OC(C)(C)C)[C@H]3CO)n1 2362167455 JKQZOKCTOXTGEQ-QRQLOZEOSA-N 459.396 2.353 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2[C@@H](C)CCN2C(=O)OC(C)(C)C)n1C 2362483764 UEALQKLRNPFDQG-GOEBONIOSA-N 462.400 2.403 30 10 JEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CC(=O)N2CC[C@@](C)(B3OC(C)(C)C(C)(C)O3)C2)C1 2368348726 KSVSGIHHFCJMNT-KSFYIVLOSA-N 486.440 2.495 30 10 JEEE CC1(C)OB(c2cc(-n3cnc4c(I)ncnc43)ncc2F)OC1(C)C 2372020534 CSQVJDFFXAARNN-UHFFFAOYSA-N 467.051 2.253 30 10 JEEE COc1ccc(OC)c(CCNC(=O)c2cccc(/N=C3\N[C@H]4CS(=O)(=O)C[C@@H]4S3)c2)c1 9530073 MHJSWNBUEOIGBM-ICSRJNTNSA-N 475.592 2.166 30 10 JEEE Cc1nn(C(C)C)c(C)c1/C=N/Nc1nnc(SCC(=O)Nc2ccccc2[N+](=O)[O-])n1N 20805310 DMOYJLKAWDIRGM-ZVBGSRNCSA-N 472.535 2.471 30 10 JEEE O=c1[nH]c2ccc(Nc3nc4nonc4nc3NN=Cc3cc4c(cc3[N+](=O)[O-])OCO4)cc2[nH]1 254382545 CZXYLLCFOWCTQE-UHFFFAOYSA-N 476.369 2.009 30 10 JEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)c3c(c2)OCCO3)c(=O)n1-c1ccccc1C 590944204 WZJDZLHRAGOAJR-UHFFFAOYSA-N 493.972 2.437 30 10 JEEE CCCn1c(=C(C#N)C(=O)N[C@H](C)c2ccccc2)sc(=Cc2cnn3ccccc23)c1=O 729671850 ZLQJANDXBDIGAR-QGZVFWFLSA-N 457.559 2.348 30 10 JEEE C#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1C[C@@H](O)C[C@H](C(=O)O)C1 757413104 JVCVWIYWJWDXHV-QQMNAOGKSA-N 462.502 2.211 30 10 JEEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Br)cc1C(F)(F)F 917925821 PJDUIGVCJVIIQC-LLVKDONJSA-N 460.293 2.279 30 10 JEEE COc1ccccc1C=NNc1nc(SCCC(=O)Nc2ccc(S(N)(=O)=O)cc2)n[nH]1 1084145616 SLHJITVUERDWBN-UHFFFAOYSA-N 475.556 2.028 30 10 JEEE C=CCn1nc(C)c(C=NNc2nc(SCC(=O)N(CC)Cc3nnc(CC)o3)n[nH]2)c1C 1084558637 BPJCLDBGBCHKMH-UHFFFAOYSA-N 472.579 2.336 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(C(=O)N3CCC(C)CC3)CC2)s1 1136328248 DLWKBEOYYOYNIK-UHFFFAOYSA-N 453.630 2.252 30 10 JEEE COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)c2cc(C3CC3)nc(SC)c2C#N)C1 1139811206 GOUUTBKFPRJAJP-HNNXBMFYSA-N 452.602 2.065 30 10 JEEE C=CCNC(=O)c1ccc(NC(=O)NCCNS(=O)(=O)c2ccc(Cl)cc2F)cc1 1214815491 QQIKACMQKGTSMT-UHFFFAOYSA-N 454.911 2.495 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@@H](C)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1286387962 XEOVOPNZXCWNJO-RTBURBONSA-N 459.616 2.311 30 10 JEEE C#CCN(CC)c1nnc(-c2cc(OC)ccc2Br)n1CCC[C@@H]1NC(=O)NC1=O 1286437544 IXRJOXFFWCHXCF-INIZCTEOSA-N 475.347 2.164 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](C)Cc2cccs2)CC1 1286485764 XOJYYAGYWATGNX-QGZVFWFLSA-N 456.616 2.322 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H](C2CC2)N(C)C)CC1 1286486547 GPFXWTAAVKQJPD-NRFANRHFSA-N 465.558 2.159 30 10 JEEE C#CCSCCn1c(CC2CCCC2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1286508726 QEHYYLFTCVKEFQ-UHFFFAOYSA-N 453.616 2.198 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCOC2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1286554908 IXMXHUPJCTXULP-TWMKSMIVSA-N 457.497 2.268 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2c(n1)CCCC2 1286581342 INBGNHQDWYCXTM-OAQYLSRUSA-N 474.631 2.336 30 10 JEEE C=C(Cl)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)NCCCOC(C)C)CC1 1286627964 UZNNDQGPJWTTID-QGZVFWFLSA-N 452.987 2.129 30 10 JEEE C=CC1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CC(=O)NCC(F)F)CC1 1286660264 IABJUKDYTDMVCU-UHFFFAOYSA-N 471.512 2.459 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1286792220 RGGGBBFYWSLMFC-LJQANCHMSA-N 479.585 2.162 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(C)=O)C[C@H]1C 1286796736 NJXVIFGDRWXGLL-GOSISDBHSA-N 452.559 2.184 30 10 JEEE C=CCS(=O)(=O)CCn1c(CSc2ccc(Cl)cc2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1286824162 VRFKHYAVBGGKBG-HNNXBMFYSA-N 484.047 2.492 30 10 JEEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2c(F)ccc(F)c2C1 1286832315 RTNUETLZVFLJST-IBGZPJMESA-N 499.609 2.371 30 10 JEEE C[C@@H](CN1CCOCC1)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@H](C)CC#N 1288704924 HCCPJNWYQDKGHM-ZWKOTPCHSA-N 460.604 2.055 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CCNC(=O)c1cccc(OC)c1 1300320836 IJTMJHFFSRICSD-MRXNPFEDSA-N 466.567 2.166 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@]1(O)CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1300505121 XXOMGBVINSVXAH-DCLXLUIPSA-N 472.611 2.343 30 10 JEEE C=CCn1c(N2CCN(C(=O)Cc3cccc(OC)c3)CC2)nnc1[C@]1(OCC)CCOC1 1301473403 ANAUCAAKVNJSGU-DEOSSOPVSA-N 455.559 2.016 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H]1c1ccc(OC)c(OC)c1 1301477732 DOLICWBAWGEFEC-KRWDZBQOSA-N 456.547 2.077 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC[C@@H](CNC(=O)c2ccccc2)C1 1301490560 AKCHLYFXZUEIMQ-IBGZPJMESA-N 459.554 2.289 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN(C(=O)OC(C)(C)C)C2CC2)C1 1301557441 PAUDRVIQKMHWFR-HKUYNNGSSA-N 495.646 2.361 30 10 JEEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1301594465 CZYLBWQUPUZCBB-ROUUACIJSA-N 457.604 2.002 30 10 JEEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1301617839 JROKAELRBLKRHO-UHFFFAOYSA-N 473.603 2.015 30 10 JEEE CC(C)NC(=O)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CC[C@](F)(C#N)C1 1303447451 HDJWLAQPQAVRCF-QHCPKHFHSA-N 466.521 2.202 30 10 JEEE CO[C@]1(C)CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1315241326 BBQGYDAOUJKRFW-XMSQKQJNSA-N 458.588 2.104 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2C[C@@](C)(O)CCOC)c1 1358902049 DBCZLYPTDRWCSB-DVECYGJZSA-N 455.559 2.016 30 10 JEEE C#CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN2CCOC[C@H]2C1 1358928789 KSVOHWSLVKXDHA-WOJBJXKFSA-N 458.607 2.327 30 10 JEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCC(=O)N(CC)CC 1358949897 QOFVXRIYEJWEBI-GOSISDBHSA-N 462.595 2.305 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@](C)(O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1358957085 PHDJOMNQCZWFGT-PRCFCKQXSA-N 476.574 2.345 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@H]1CCCCN1CCC)[C@H]1CCS(=O)(=O)C1 1358964825 HYQCXTPCWZYUHO-YADHBBJMSA-N 470.643 2.155 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1358965406 UVVAMJHKGUNNGD-IBGZPJMESA-N 491.589 2.159 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCC1(O)CCOCC1 1359022468 ARDJVVBLKJEQRL-UHFFFAOYSA-N 450.543 2.148 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](C(=O)NC)C1 1359189619 PLNGOMLDJRHWSR-ZWKOTPCHSA-N 492.621 2.140 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 1359189668 RBCSUGMAQNZQLW-NEWSRXKRSA-N 467.636 2.217 30 10 JEEE C=CCn1c(-c2cccc(OC)c2)nnc1N1C[C@@H]2[C@H](C1)[C@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1359284558 XHPZQJUBAKUFBS-GUDVDZBRSA-N 489.598 2.266 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1359293902 CUZVSNPXAVPQTD-SUMWQHHRSA-N 499.490 2.429 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](Nc2cc(OC)cc(OC)c2)C1 1359298042 KKDINGAYGTVYEO-SFHVURJKSA-N 480.573 2.079 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Br)cc3)n2CCS(=O)(=O)NC)C1 1359315361 SSFZFCKXJJWFJB-MRXNPFEDSA-N 470.393 2.038 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCC(Cn2ccnn2)CC1 1359328210 WVMPRQXBBFYOHX-UHFFFAOYSA-N 471.587 2.063 30 10 JEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)CCCOc2ccc3c(c2)OCO3)c1 1434894398 LOWLUDMVEFSRPR-UHFFFAOYSA-N 450.491 2.448 30 10 JEEE CCNC(=O)C(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1502379477 HVKVWTQQJQKRTJ-FQEVSTJZSA-N 462.558 2.290 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCNc1ncc(Cl)cc1Cl 1507516585 LLNQLUBOMPHRGV-NEPJUHHUSA-N 460.391 2.160 30 10 JEEE C#CCCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1507562208 IAWXCEKZDBBMTK-SFHVURJKSA-N 473.599 2.285 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1CCc1cccc(OCCC)c1)[C@H]1CCS(=O)(=O)C1 1507632249 KEMZMUFRTHHRRK-SFTDATJTSA-N 472.611 2.440 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCc1csc(CC)n1)[C@H]1CCS(=O)(=O)C1 1507632526 MWMPHLGYVYBAFB-AEFFLSMTSA-N 463.629 2.060 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCSCC=C)[C@@H]1CCS(=O)(=O)C1 1507633693 GIZQOIWQLQHMBM-QGZVFWFLSA-N 451.643 2.180 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1CCN1CC=CCC1)[C@H]1CCS(=O)(=O)C1 1507640814 WNJSNOZWZJGAQI-QFIPXVFZSA-N 483.638 2.363 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCn1cc(Cl)cn1 1507710236 DKCUCPQRYIRUCP-GOSISDBHSA-N 493.996 2.223 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCCN2CCC(O)CC2)CC1 1507722219 RIZRXNYIHFCOEV-HXUWFJFHSA-N 470.593 2.159 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccccn3)n2Cc2ccnc(OCC(F)(F)F)c2)CC1 1507724598 HQEWCJRXPPRZAD-UHFFFAOYSA-N 457.460 2.480 30 10 JEEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1507749403 ZTVHLKHBECTXSF-UHFFFAOYSA-N 450.572 2.140 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccn2)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1507801872 YMROZFHOCHVXGU-ZVDOUQERSA-N 475.615 2.351 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1507804645 LHYNPHNMTCGHPT-LFAGZIFBSA-N 481.645 2.282 30 10 JEEE C=C(C)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1507832448 GPPNDBAQVQAHJK-UHFFFAOYSA-N 457.604 2.391 30 10 JEEE C=C(C)COCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCCN(S(C)(=O)=O)CC1 1507839388 DNAWNOSTHLMCRV-UHFFFAOYSA-N 479.603 2.027 30 10 JEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C(F)(F)F)C1 1507955146 VPLQEEFKMVQUCR-HUUCEWRRSA-N 451.515 2.356 30 10 JEEE CC(C)(C)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@H]1CCCN1S(C)(=O)=O 1508512677 IFNHSDLRMCOJJZ-OAQYLSRUSA-N 485.658 2.193 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CCCn2nc(C)cc2C)c1 1539038073 LASDAEUIPSRSRZ-UHFFFAOYSA-N 488.596 2.474 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(CCOC)CC2)c1 1539043645 SMHSRSFVXPPGCL-IBGZPJMESA-N 485.610 2.053 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2c(C)noc2C)c1 1539043905 WCVGLPNYTJJVQV-IBGZPJMESA-N 496.593 2.084 30 10 JEEE C#CCN(c1nnc(-c2ccccc2F)n1CCCOC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1539210788 GKJMBLLRLGYPLS-GOSISDBHSA-N 476.574 2.297 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](COc2ccccc2)C1 1539518035 VFRNHURMUKYTIT-RBUKOAKNSA-N 460.625 2.452 30 10 JEEE C#CCSCCn1c(COc2cccc(C)c2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1539526851 VQEZXWLSHPMZQY-QFIPXVFZSA-N 482.654 2.275 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCN(C)CCOC 1539534238 OQXWSHPMGLDKFT-HSZRJFAPSA-N 458.994 2.432 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(NC(=O)C(C)C)CC1 1539613142 VWOLLZOHAVNPCQ-QUCCMNQESA-N 458.607 2.236 30 10 JEEE C=C(C)COCCn1c(Cc2ccccc2OC)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1539752165 DUCZDKMCQVMWOO-QHCPKHFHSA-N 460.600 2.485 30 10 JEEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2cc(C)ccc2OC)CC1 1539774538 CLIBWNDQGIBCDL-QGZVFWFLSA-N 483.038 2.280 30 10 JEEE C=CCC(C)(C)Cn1c(-c2cnccn2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1539912526 MHCOKEZJGWWEOE-WIYYLYMNSA-N 452.607 2.326 30 10 JEEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCOC(C)(C)C1 1540870300 JTTVKIYJTYKLCH-UHFFFAOYSA-N 462.595 2.310 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC2(C)COC2)C1 1540892731 QTJMUZSQGOXFIS-ZWKOTPCHSA-N 463.579 2.404 30 10 JEEE C=CCSCCn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1540912917 FPGSTNVJPCEQCF-LJQANCHMSA-N 492.671 2.199 30 10 JEEE CO[C@H](Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@](F)(C#N)C1)C(C)C 1554635324 DSFSWHANSRUTEA-NQIIRXRSSA-N 464.567 2.308 30 10 JEEE COCCn1cc(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCN2C[C@H](C)O[C@H](C)C2)cn1 1555568649 BBIYGCOEDYWPFU-BGYRXZFFSA-N 478.601 2.253 30 10 JEEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(OCCOC)CC1 1587847029 BLTCSQFUYBARIX-UHFFFAOYSA-N 460.604 2.283 30 10 JEEE C#CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1Cc1nnnn1CC1CC1 1587946133 VPOIZMZYHPNSKR-UHFFFAOYSA-N 457.336 2.230 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](CC(C)C)N(C)C)[C@H]1CCS(=O)(=O)C1 1588040787 QNZOYXZBGJUWQF-FCHUYYIVSA-N 468.627 2.420 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1CCOC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1588045268 INVIPPREOBIGEQ-QGZVFWFLSA-N 460.556 2.116 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2C[C@H](C)CN2CCN(CC)CC2)CC1 1588848621 JIJUTYQYXRPYDP-JOCHJYFZSA-N 467.637 2.037 30 10 JEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2c(F)cccc2OC)CC1 1588976484 ZQQBPMHJKYIYII-UHFFFAOYSA-N 460.579 2.257 30 10 JEEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)COc2ccc(F)cc2)CC1 1589070691 WNCKAQPSSMLMNP-IBGZPJMESA-N 487.601 2.405 30 10 JEEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1593886014 PVDAIHPHCNAWNH-IKGGRYGDSA-N 480.997 2.301 30 10 JEEE C=C(Cl)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1593932625 LVGLPXRQCGNMAG-AWEZNQCLSA-N 467.382 2.123 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCOc2ccccc2)CC1 1594241437 QIQJZTQURFPBCN-OAQYLSRUSA-N 475.615 2.483 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ncc(F)cn2)CC1 1594499059 ZKPLOCLDBAJXJV-MRXNPFEDSA-N 463.583 2.038 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CN2CCCC2=O)n1C[C@H]1CCCCS1(=O)=O 1595100682 SAGMOJAOKGHLHE-OAQYLSRUSA-N 482.610 2.432 30 10 JEEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCC(C(=O)NCc2ccc(C)c(F)c2)CC1 1595537660 VQKQHRWIIMUPIX-UHFFFAOYSA-N 454.550 2.438 30 10 JEEE Cc1ccc(-c2nnc(N3CCC(CC#N)CC3)n2CCS(=O)(=O)N2CCSCC2)o1 1612028819 HHVCZYBPYMGBDU-UHFFFAOYSA-N 464.617 2.355 30 10 JEEE N#Cc1ccc(C(=O)N[C@@H]2CO[C@H](CN3CCN(c4cccc(C(F)(F)F)c4)CC3)[C@@H]2O)cc1 1615261368 ZQQRBHFWFHLSBR-YPAWHYETSA-N 474.483 2.257 30 10 JEEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@@H](c2ccsc2)C1 1618839690 DKYHLKOEPMMBLN-HNAYVOBHSA-N 472.596 2.394 30 10 JEEE CSCc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)cc1 1620246729 FUAFHXDJGPLDHW-AUUYWEPGSA-N 452.581 2.242 30 10 JEEE C=CCCC(=O)[C@@H]1CCCN1C(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCCO2 1628632914 UPBNHGKYYCMIJD-SFHVURJKSA-N 450.557 2.433 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2Cc2oc(CC)nc2C)c1 1689868299 CAVQFAXQEOQNNF-UHFFFAOYSA-N 475.553 2.477 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2CCC(=O)N[C@@H](C)CC)c1 1689871804 FPZKGYYEIDLPPE-PKOBYXMFSA-N 452.559 2.143 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCC1=CCCCC1)[C@@H]1CCS(=O)(=O)C1 1689978536 XWDQUVZSIFOJOV-LJQANCHMSA-N 468.583 2.443 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@](C)(O)[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1689992425 KSQBMTVDBYRQOW-NRYAXDJKSA-N 474.627 2.301 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(-c2ccccc2)no1 1690033119 QOXHTEDCKFUHAH-QGZVFWFLSA-N 452.540 2.055 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCc1cnn(C)c1 1690077449 OWNNYMFPCDCNBY-IBGZPJMESA-N 457.579 2.412 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1c[nH]c2cccc(C)c12 1690104301 SCCUUPDVBHXGDA-IBGZPJMESA-N 455.584 2.299 30 10 JEEE C#CCN1CCN(c2nnc(-c3nn(CCC)c(=O)c4ccccc34)n2C[C@@H](C)COC)CC1 1690122070 DWBDKJOSNSTGSD-LJQANCHMSA-N 463.586 2.103 30 10 JEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)Nc2ccccc2)CC1 1690171007 UJVYXLVCBZYIMU-IBGZPJMESA-N 452.584 2.451 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1690250828 MAQQPHRQQKQHLV-ILZDJORESA-N 465.645 2.382 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(c2ccc(C(C)=O)cc2F)CC1 1690668028 PYHXPYFWHYXDRC-UHFFFAOYSA-N 451.506 2.244 30 10 JEEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC[C@@H](N2CCCC2)C1 1690675153 QHTQLORGZOOKAD-OAQYLSRUSA-N 452.603 2.439 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CCc2ccc(NC(C)=O)cc2)C1 1690711583 DGKMYAPLZQQKTO-OAQYLSRUSA-N 452.559 2.383 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1690719492 NKJPSIWRYRJOCF-GOSISDBHSA-N 471.587 2.343 30 10 JEEE CCCC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(c3cc(C#N)ccn3)CC2)CCC1 1695123566 DACNDOZZFNCROL-SFHVURJKSA-N 486.646 2.452 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1(COC)CCOCC1 1705492371 PPCNTMFRLUYUBV-LJQANCHMSA-N 453.591 2.353 30 10 JEEE C#CCCCCn1c(-c2nnc(O)c3ccccc23)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1705514850 KMZYVIGTYTXUJG-MRXNPFEDSA-N 454.556 2.411 30 10 JEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@H](NC(=O)CC)C1 1705526342 IWQKJMAMYDAQMU-IBGZPJMESA-N 472.615 2.104 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1Cc1cccc(-n2cncn2)c1)[C@@H]1CCS(=O)(=O)C1 1705562322 ZUDPLOWGBLOSET-YLJYHZDGSA-N 453.572 2.047 30 10 JEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@H](c1ccc(C)o1)N1CCOCC1 1705585010 HUWDCCTXRNNMBH-HXUWFJFHSA-N 492.605 2.317 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cccc(COC(C)(C)C)c2)CC1 1705639878 YMMVGZMYQOFMBX-JOCHJYFZSA-N 485.654 2.299 30 10 JEEE C=C(Br)Cn1c(N2CCN3C(=O)OC[C@]3(C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1705692158 BBKFKNKGMGWRFD-RBUKOAKNSA-N 470.368 2.258 30 10 JEEE C=C(C)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 1705723198 DYDQEYWMHQAUMC-FQEVSTJZSA-N 463.604 2.407 30 10 JEEE C=CCN(c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)N1CCOCC1)C1CC1 1705853694 DNBFSCVVLSVPLH-UYAOXDASSA-N 476.622 2.462 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCc2cc(OC)c(C)cc2C1 1705895232 YUYSGYVRCKFCNS-UHFFFAOYSA-N 461.526 2.107 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(C(=O)N2CCCC2)CC1 1705898511 OFXFAYPDKLWKOC-UHFFFAOYSA-N 482.585 2.103 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@]2(OC)CCOC2)C1 1705924738 GCGRKXZBYFLZFM-YDIMBITNSA-N 493.605 2.173 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CC[C@@H](C(=O)N(C)c2ccccc2)C1 1705932403 SQAXOHWRZVHYPC-HXUWFJFHSA-N 480.594 2.430 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](c2ccccc2C)C1 1705935855 FHBRQXRBPJATNX-RTBURBONSA-N 478.640 2.083 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1nc2ccccc2s1 1705936493 RRPXCXHEGWCJKN-HNNXBMFYSA-N 495.652 2.027 30 10 JEEE Cc1cc(C)n(CCCn2c(-c3cccc(C#N)c3)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)n1 1707840365 DKXAYRGTCIHLJD-IBGZPJMESA-N 482.614 2.191 30 10 JEEE CC[C@@H](C)N(C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(c2ccccc2C#N)CC1 1708607847 BCOLCQYGFFHDFP-IFMALSPDSA-N 499.685 2.499 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCN(C)CC(F)(F)F 1722376216 YNRNCJMVLIHXST-UHFFFAOYSA-N 467.517 2.306 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@](C)(O)C(C)C 1722389332 HVWXUUJHZXNBEA-HSZRJFAPSA-N 457.600 2.065 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2Cc2cccc(OCC(=O)N(C)C)c2)CC1 1722445379 WEJGBDMUCQQYOE-LJQANCHMSA-N 480.613 2.273 30 10 JEEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1722476560 AESKUKWRCJHSTJ-UHFFFAOYSA-N 482.452 2.426 30 10 JEEE C=C(C)COCCn1c(-c2cc(Br)cn2C)nnc1N(C)C[C@H](C)C(=O)NC 1722528380 FPLHKMKFROWFLL-AWEZNQCLSA-N 453.385 2.457 30 10 JEEE C=C(C)COCCn1c(-c2cccnc2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1722531497 OIRGMWPTPRUZQQ-QFIPXVFZSA-N 461.570 2.281 30 10 JEEE C=C1CCN(c2nnc([C@@H](C)OCCOC)n2CC2(NC(=O)OC(C)(C)C)COC2)CC1 1722564258 LSNUIJFNXIRHOS-QGZVFWFLSA-N 451.568 2.452 30 10 JEEE C=CC[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)NCC)CC1)c1ccccc1 1722595502 WXXYVITWEAPEOT-VQTJNVASSA-N 451.575 2.441 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC(=O)NCC2CC2)C1 1722725746 RQMUVKGXQBBTOT-OTWHNJEPSA-N 474.606 2.356 30 10 JEEE N#C[C@]1(F)CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2CCCN2CCCO)C1 1731179208 BBTJRDZHSBREFN-HNAYVOBHSA-N 466.359 2.324 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OCC)CCOC3)n2CCC(=O)NC(C)(C)C)c1 1740563099 UIXKEMFEDDLLLV-AREMUKBSSA-N 496.612 2.291 30 10 JEEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)CC1CN(C(=O)OCc2ccccc2)C1 1740589385 XJAXFMFKKIIBDJ-FQEVSTJZSA-N 450.543 2.347 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCCN(C)CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1740618311 GPPBZLGCIWOKRR-IBGZPJMESA-N 494.543 2.328 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CC1(COC)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1740618666 AJEJVWUHOVLCPF-HXUWFJFHSA-N 488.610 2.024 30 10 JEEE C#CCN(c1nnc(CC)n1Cc1ccccc1-n1nc(C)cc1C)[C@@H]1CCS(=O)(=O)C1 1740626065 RRTHBUOLZUHSTG-HXUWFJFHSA-N 452.584 2.318 30 10 JEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1CCC(=O)N[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1740626323 UCSJQYAIGDICEU-FXAWDEMLSA-N 492.045 2.454 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1ccc(COC)cc1)[C@H]1CCS(=O)(=O)C1 1740627665 RTMIIYVNAZPRJI-LEWJYISDSA-N 458.584 2.341 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1CCN(C)CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1740628424 QENICEQHEUWELL-SFHVURJKSA-N 499.559 2.286 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@H]1CCOC[C@H]1OC 1740639105 QWMREMJQMWIZBV-DENIHFKCSA-N 474.565 2.189 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1c(Cl)c(C(F)(F)F)nn1C 1740656628 MCZRVNVHNBRTSI-CYBMUJFWSA-N 488.923 2.097 30 10 JEEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2CC[S@](=O)C(C)(C)C)CC1 1740698211 AALMRXZYENTWMC-YTTGMZPUSA-N 457.644 2.374 30 10 JEEE C=C(C)COCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1740790426 RWOIAAJRJUUPTC-KRWDZBQOSA-N 479.603 2.025 30 10 JEEE C=C(Cl)Cn1c(Cc2ccccn2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1740811855 FBMTZAWTHPXUEV-UTKZUKDTSA-N 458.010 2.395 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(C)n(C)c1=O 1740914787 ZKNWDLDFDMXCSG-NRFANRHFSA-N 462.554 2.486 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N1CCOCC1 1740935278 GWCFYSRGYWJFBI-IFMALSPDSA-N 473.643 2.136 30 10 JEEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCN(CC(=O)Nc2cccc(C)c2C)CC1 1740951980 RCYXRAFWEMNZCN-UHFFFAOYSA-N 453.591 2.081 30 10 JEEE CCO[C@H](CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1)C(C)C 1746638004 AITLFUFMAOEJSB-TZIWHRDSSA-N 467.574 2.394 30 10 JEEE C#CCN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCCSC)[C@@H]1CCS(=O)(=O)C1 1748802750 SDFMDOQXMHZDQQ-GOSISDBHSA-N 496.058 2.241 30 10 JEEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1CC(C)(C)C(=O)NC)[C@H]1CCS(=O)(=O)C1 1748805956 YOOZPKCUUOFEAH-VQTJNVASSA-N 471.627 2.219 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H](CC(C)C)NC(=O)OCC)[C@H]1CCS(=O)(=O)C1 1748812117 QIMFKBUCOPFFGQ-OALUTQOASA-N 488.614 2.128 30 10 JEEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCN1CCOC[C@H]1C 1748847718 WITZAOYHKOROHW-HXUWFJFHSA-N 470.618 2.186 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CC(C)(C)N2C[C@H](C)O[C@H](C)C2)CC1 1749001471 SOPMNIRPQLGPFM-KDURUIRLSA-N 458.651 2.429 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1749020100 LFBVQQDFASPXQZ-SFHVURJKSA-N 466.571 2.086 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(=O)N1CCOCC1 1749159410 UIZAFMBOHNWBIF-LJQANCHMSA-N 492.621 2.238 30 10 JEEE C=C(C)Cn1c(-c2noc3c2COCC3)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1749187332 CBYKXUHNMLTBMO-HNNXBMFYSA-N 460.535 2.312 30 10 JEEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)Nc2cccc(C)c2C)CC1 1749189411 JYAXMECRTGZBTR-FQEVSTJZSA-N 451.575 2.183 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CC[C@@H](C(N)=O)C1 1749651044 MKHWCAKRFXIBSY-JKSUJKDBSA-N 460.966 2.302 30 10 JEEE C=CCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCN(C(=O)OC)[C@@H](C)C2)cc1 1749684186 SCSGWMKGRHOUIW-QFBILLFUSA-N 454.531 2.119 30 10 JEEE Cc1csc([C@@H]2CN(c3nnc(COc4ccc(C#N)cc4)n3CC(=O)N(C)C)CCO2)n1 1751740367 CYAFIARGZUVKOD-SFHVURJKSA-N 467.555 2.160 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CC(=O)N1CCOCC1 1760123466 GLTNRUJBAFYVKW-CQSZACIVSA-N 452.342 2.481 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1Cc1cc(C)no1)[C@@H]1CCS(=O)(=O)C1 1760181529 WZENBGQFARPMFI-CQSZACIVSA-N 479.360 2.007 30 10 JEEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1cc(F)ccc1N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1760181784 BOAFYSITFBOYCC-RXVVDRJESA-N 489.617 2.442 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1760186893 GUENASPKIIKXHE-WOJBJXKFSA-N 458.584 2.050 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(C)oc2ccccc12 1760234410 WITVIRQWIOUHTK-FQEVSTJZSA-N 457.556 2.173 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1CCN1CCC[C@H](C)C1 1760240241 LMUQITVDCQWPJN-OALUTQOASA-N 476.622 2.399 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCc2ccc(OC)c(OC)c2)CC1 1760269096 YDJOSNKNOMUQIJ-UHFFFAOYSA-N 462.554 2.499 30 10 JEEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1760275028 YNFOJVWBXYFAKB-HNNXBMFYSA-N 478.420 2.442 30 10 JEEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1760282973 XXCWZNORAOMYHJ-HXUWFJFHSA-N 475.565 2.341 30 10 JEEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CCOc2ccccc2)CC1 1760306619 GVXSUGFDADWQNQ-GOSISDBHSA-N 475.391 2.339 30 10 JEEE C=C(Br)Cn1c(N2CCN(C)C(=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1760314731 RVSROORFWBPYEG-OKILXGFUSA-N 469.384 2.236 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)NCCC)CC1 1760323808 GPZIBQGQMIVRQI-UGKGYDQZSA-N 458.607 2.124 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1760334357 JNLCQPVZIBAAKD-MLYOOKFZSA-N 458.607 2.342 30 10 JEEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1760559740 SHHHUSXMWZCYDB-UHFFFAOYSA-N 461.636 2.160 30 10 JEEE CCN1CCN(C[C@@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](CC(N)=O)C2)CC1 1765552165 DVSVGFUHJDMVEC-IRLDBZIGSA-N 478.645 2.182 30 10 JEEE CCNC(=O)C1(Cn2c(-c3cccc(C#N)c3)nnc2N(CC)[C@H]2CCS(=O)(=O)C2)CCC1 1767191872 DUTVFUISTDTUOB-IBGZPJMESA-N 470.599 2.137 30 10 JEEE N#Cc1ccc(-c2nnc(N3CCN(CC(F)(F)F)CC3)n2C[C@@H]2CCCCS2(=O)=O)cc1 1770739848 CCRXYIKXCSODJW-SFHVURJKSA-N 482.532 2.468 30 10 JEEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 1772567411 QTELGLPGOPYZHP-UHFFFAOYSA-N 472.615 2.139 30 10 JEEE CCCCS(=O)(=O)Nc1ccc(N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)nc1 1858452377 DQBCDYNNNOQKML-UHFFFAOYSA-N 463.585 2.006 30 10 JEEE NC(=O)CSc1nnc([C@@H]2CC(=O)N(Cc3ccccc3)C2)n1/N=C/c1ccccc1[N+](=O)[O-] 1874210310 PYSOBMYKBUFWPY-SCWWFSKWSA-N 479.522 2.162 30 10 JEEE COC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1ccc(OC)cc1OC 1874336407 FLRIEIPHCVHLLJ-WPZNHYQYSA-N 461.544 2.167 30 10 JEEE COc1ncc(C(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)c(C)c1Br 1889390771 IBGJVKXIZLXQBR-UHFFFAOYSA-N 479.419 2.033 30 10 JEEE CCN1CCN(CC#CCOC2CCN(C(=O)CN(C)c3nc4ccccc4s3)CC2)CC1 1891151281 OTONDWFPYQFKLI-UHFFFAOYSA-N 469.655 2.381 30 10 JEEE CC1(C)OB(c2cc(C(=O)N[C@@H]3CCOC[C@@H]3NC(=O)OCc3ccccc3)co2)OC1(C)C 2255543028 BETAGRAOTBEJHT-MOPGFXCFSA-N 470.331 2.393 30 10 JEEE CO[C@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C[C@H]1NC(=O)OC(C)(C)C 2255833193 YZJKLZVLDVSDHB-CABCVRRESA-N 452.382 2.411 30 10 JEEE CC(C)(C)OC(=O)NCC1(C(=O)NCc2ccc(B3OC(C)(C)C(C)(C)O3)s2)COC1 2256667245 YWHQLBRCZHOBBS-UHFFFAOYSA-N 452.382 2.205 30 10 JEEE CC(C)(C)OC(=O)NCC1(NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)c(F)c2)COC1 2267450591 DIHBCEZPNBGDJH-UHFFFAOYSA-N 450.316 2.148 30 10 JEEE Cc1nc(C(=O)N2CCOC[C@@H](NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2267476397 XJZZQYOCZRCCBS-AWEZNQCLSA-N 467.397 2.116 30 10 JEEE CON(CCNC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(C)cc1B1OC(C)(C)C(C)(C)O1 2267702715 KQSOSXQBOFUYER-UHFFFAOYSA-N 470.397 2.371 30 10 JEEE Cc1c(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281984775 FPRKDBFGXCNWBI-HOCLYGCPSA-N 462.400 2.403 30 10 JEEE Cc1c(C(=O)NC[C@H]2C[C@@H](C)N(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281985434 LUYJTBBBHWRWDA-GDBMZVCRSA-N 462.400 2.403 30 10 JEEE Cc1nc(C(=O)NC[C@H]2CN(C)CCN2Cc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)s1 2282018018 RMGJQTLCMGKXBE-IBGZPJMESA-N 470.448 2.297 30 10 JEEE C[C@@H](NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)C1CCN(C(=O)OC(C)(C)C)CC1 2282029396 RJDVXMTWQKCJLU-OAHLLOKOSA-N 462.400 2.485 30 10 JEEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CN(C(=O)c1ncc(B3OC(C)(C)C(C)(C)O3)cn1)CC2 2282031306 QNASQPOQVQIHSC-IRXDYDNUSA-N 458.368 2.390 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C1 2282045671 ZZDAPNYWKSFEDZ-HZPDHXFCSA-N 460.384 2.048 30 10 JEEE Cn1nc(C(=O)NC[C@@H]2CCCCN2C(=O)C(F)(F)F)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2282058724 YRQYRXREGSBYAB-NSHDSACASA-N 478.708 2.046 30 10 JEEE CON(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)C1CCN(C(=O)OC(C)(C)C)CC1 2282536601 FKABYECXTFUSBF-UHFFFAOYSA-N 464.372 2.122 30 10 JEEE Cc1c(C(=O)N2C[C@H](C)N(C(=O)OC(C)(C)C)C[C@H]2C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282592570 FFZPUXNIRIBZAA-CABCVRRESA-N 462.400 2.498 30 10 JEEE COCC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2282644991 GWWQRHGJAUUIIB-KRWDZBQOSA-N 463.384 2.412 30 10 JEEE CC(C)(C)OC(=O)NCc1nc(=NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2O)s[nH]1 2282884972 VVWOLFCBAXRXSA-UHFFFAOYSA-N 476.364 2.242 30 10 JEEE COC(=O)[C@H](CC(=O)NCc1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1)NC(=O)OC(C)(C)C 2283925592 BUHXVUJMJJTFRO-HNNXBMFYSA-N 482.408 2.428 30 10 JEEE Cc1cc(CNC(=O)[C@H]2COC[C@@H]2NC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2289465667 DIIDCPYMFYPYRI-HKUYNNGSSA-N 460.380 2.450 30 10 JEEE CN1C(=O)Cc2cc(-c3nn(-c4ccc(N5CCOCC5)cc4)cc3C=NNC(N)=S)ccc21 2296403512 SFEHVHJGIOUKMV-UHFFFAOYSA-N 475.578 2.062 30 10 JEEE COC(=O)[C@H](CNC(=O)OC(C)(C)C)Oc1ncc(Cl)cc1B1OC(C)(C)C(C)(C)O1 2317256334 NZFQSKLDWFKIOH-AWEZNQCLSA-N 456.732 2.479 30 10 JEEE Cc1nc(I)c(I)n1C[C@](N)(C#N)[C@@H]1CC1(F)F 2327121549 FGQKKYMRDSRCTM-IMTBSYHQSA-N 478.022 2.277 30 10 JEEE CCCN(CCC)C(=O)CSc1nnc(CNC(C)=O)n1N=Cc1cc(OC)c(O)c(OC)c1 2330778251 JSODUXRRSHQOES-UHFFFAOYSA-N 492.602 2.260 30 10 JEEE CC(=O)NCc1nnc(SCC(=O)NCc2ccccc2)n1N=Cc1cc(C)ccc1O 2330794237 GRRQFJCLKUVWQF-UHFFFAOYSA-N 452.540 2.219 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](C(=O)N1CC[C@@](C)(B2OC(C)(C)C(C)(C)O2)C1)C1CS(=O)(=O)C1 2342473920 UIJWNYHRKNBFET-QVKFZJNVSA-N 472.413 2.009 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CS(C)(=O)=O)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2360528926 YVVGOENJVMIPOQ-INIZCTEOSA-N 486.371 2.001 30 10 JEEE CC[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2362352429 DHTLOYPGLFVBAN-HOTGVXAUSA-N 462.400 2.485 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 2362357573 ONKHIRNRHVKZTG-HOTGVXAUSA-N 460.384 2.048 30 10 JEEE CC(C)(C)OC(=O)NC[C@]1(CO)COCCN1c1ncc(Cl)cc1B1OC(C)(C)C(C)(C)O1 2364854111 PZQWGPYDCKJTKN-QFIPXVFZSA-N 483.802 2.127 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(C(=O)OC(C)(C)C)[C@@H]2CCC[C@H]21 2367687025 NCTYCAZEILSDFJ-HZPDHXFCSA-N 460.384 2.333 30 10 JEEE N#Cc1cccc(NC(=O)Nc2ccc3n(c2=O)C[C@H]2C[C@@H]3CN(C(=O)c3cnccn3)C2)c1 4258999 KBZMHSRUGZPHQA-DLBZAZTESA-N 455.478 2.413 30 10 JEEE COc1ccccc1NC(=O)CSc1nnc(N/N=C/c2ccc(OC)c(OC)c2)n1N 20292727 YGBHREJWIFROLC-SSDVNMTOSA-N 457.516 2.195 30 10 JEEE COc1cc(/C=N/Nc2nnc(SCC(=O)c3ccc(C)cc3)n2N)cc([N+](=O)[O-])c1O 21326994 HISOHRCZBHNOSL-ZVBGSRNCSA-N 457.472 2.344 30 10 JEEE C=CCn1c(SCC(=O)Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)nnc1C(C)C 59911093 AHNJLDTZCDRSDD-UHFFFAOYSA-N 478.644 2.254 30 10 JEEE C#Cc1cccc(-n2c(=C(C#N)C(=O)C(C)C)sc(=Cc3cc(OC)c4c(c3)OCCO4)c2=O)c1 726580040 HHSCDPZANGNCIF-UHFFFAOYSA-N 486.549 2.388 30 10 JEEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1[C@H](C)c1cccs1 729672501 QRHUAPVJSYIAKP-OAHLLOKOSA-N 463.588 2.256 30 10 JEEE C#CC[C@H](NCC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1)c1ccccc1 1192790920 DAWYDCINIZRJJM-FQEVSTJZSA-N 457.552 2.009 30 10 JEEE C[C@@H]1CC[C@@H](C)N1CCN1CCN(S(=O)(=O)c2cccc(Br)c2C#N)CC1 1209075778 DWCNDZZWRRCWGW-HZPDHXFCSA-N 455.422 2.500 30 10 JEEE C#CCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC[C@H](CNC(C)=O)C1 1286354946 CALZFKSWQQIQPD-XMMPIXPASA-N 477.657 2.409 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1cccc(OC)c1OC)[C@H]1CCS(=O)(=O)C1 1286395175 RCCDNTSWKJYSOO-ICSRJNTNSA-N 474.583 2.212 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(OC(F)(F)F)cc1 1286466915 LQBFLQRRMHKEAV-QGZVFWFLSA-N 486.516 2.408 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2Cc2cn(C)nc2-c2ccccc2)CC1 1286471860 ONCRWUMPBBCTQL-FQEVSTJZSA-N 463.586 2.206 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(C)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1286528541 FLUUKICBTPWUKY-FGZHOGPDSA-N 460.625 2.421 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC2(CC1)C(F)(F)C21CCC1 1286813995 HIACWZITAXBJQA-UHFFFAOYSA-N 471.574 2.423 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC(c2ncc(C)s2)CC1 1286814019 HYKGXVGTMBTYCQ-UHFFFAOYSA-N 466.633 2.166 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 1286819060 YCQRAOZQDDJUAD-QGZVFWFLSA-N 491.639 2.485 30 10 JEEE CC(=O)N1CCN(CCn2c(-c3cccc(OC(F)F)c3)nnc2N(C)C[C@H](C)C#N)CC1 1286888525 BIMASKOHKCAVFZ-MRXNPFEDSA-N 461.517 2.306 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCN(c2ccccc2F)C1 1286967998 IFTXGZHLJIDVDR-SQNIBIBYSA-N 460.579 2.442 30 10 JEEE C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCCS1(=O)=O 1286976515 FIYRKLOCOPJCBU-MDZRGWNJSA-N 479.628 2.042 30 10 JEEE C[C@]1(C#N)CCCN(c2nnc(COc3ccccc3F)n2CCNC(=O)c2cc[nH]n2)C1 1288981685 HGIBNZYIOHUQPX-JOCHJYFZSA-N 452.494 2.279 30 10 JEEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1297695194 CNQJKZWCAMMROG-GOSISDBHSA-N 455.544 2.327 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1Cc1ccc(C(N)=O)nc1 1300304685 POADWYJOSZCSAR-MRXNPFEDSA-N 470.537 2.065 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@](C)(O)[C@H](C)CC)c1 1300330906 FAIZTZSAXILLNB-OSPHWJPCSA-N 454.575 2.270 30 10 JEEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1300372295 OZYFZOFPBHMZCZ-GOSISDBHSA-N 494.625 2.471 30 10 JEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1(N(C)C)CCC1 1300512702 LRTIJSPYKFWJOS-UHFFFAOYSA-N 453.616 2.104 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(OC)ccc2Br)n1CC(=O)N1CCOCC1 1300560708 IGEPEMGSOJEIBT-UHFFFAOYSA-N 486.370 2.038 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1CCS(=O)(=O)CC1 1303627076 CUHKAWOOPDGMET-HNNXBMFYSA-N 479.006 2.425 30 10 JEEE CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(C(N)=O)CCCC2)CCN1CCOC 1306408309 AGGRAXKDHJRYNT-OAQYLSRUSA-N 465.602 2.409 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCCOc1ccc(C)cc1 1358890138 LQBDYFINKFGYJY-CTNGQTDRSA-N 475.615 2.237 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@@]1(N(C)C)CCSC1)[C@@H]1CCS(=O)(=O)C1 1358958763 VNRSAKAPZKJSMN-XXBNENTESA-N 489.667 2.018 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H]1CCCCN1CCC)[C@H]1CCS(=O)(=O)C1 1358960628 IPMHMVYPQYWUED-RTWAWAEBSA-N 456.616 2.231 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1Cc1cc(COC(C)(C)C)on1)[C@@H]1CCS(=O)(=O)C1 1358966160 JBIPVACYMWKWTI-GOSISDBHSA-N 461.588 2.209 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCOC2)n1CCN1CCN(C(C)=O)CC1 1359017131 VEXCAHZMQKTQSD-QFIPXVFZSA-N 468.577 2.115 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@]2(N(C)C)CCSC2)CC1 1359028252 MCBDPSQPXWLTGA-VWLOTQADSA-N 481.670 2.340 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2CCC(=O)NC2CCCCC2)CC1 1359039423 ISOHTAVEJXMCNI-UHFFFAOYSA-N 480.613 2.460 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@](C)(O)c2cccc(Cl)c2)CC1 1359044362 DHILABUEAJPDQC-HOYKHHGWSA-N 471.989 2.309 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2C[C@@H]2CN(Cc3ccccc3)CCO2)CC1 1359045722 RDRZMALVRUSKFE-DEOSSOPVSA-N 478.641 2.343 30 10 JEEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccccc2[C@@H]1C 1359057593 DLGOATUKTXUTRQ-FXAWDEMLSA-N 475.640 2.101 30 10 JEEE C=C(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1359117015 WOUVWFAHWNXMFW-LJQANCHMSA-N 465.558 2.490 30 10 JEEE C=C(C)COCCn1c(-c2ccccc2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1359129928 RVAIMWIBXIWSRU-OAQYLSRUSA-N 475.615 2.169 30 10 JEEE C=CCCOCCn1c(-c2cccc3cccnc23)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1359224420 QJYLSYOSIBBUAD-UHFFFAOYSA-N 491.596 2.259 30 10 JEEE C=CCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1359283496 VVKFVOIBVTUBBW-QGZVFWFLSA-N 485.980 2.210 30 10 JEEE C=CCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1359285869 UXIWRLUKPBXEFA-QGZVFWFLSA-N 454.575 2.328 30 10 JEEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(CN2CCOCC2)CC1 1359287437 DDNCQNLYYFENCO-HXUWFJFHSA-N 476.622 2.321 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 1359298737 KJTRTVZSWVCHFZ-SFHVURJKSA-N 453.591 2.329 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@@H](C)C1 1359327809 LGROEDWOOQMTQG-OAHLLOKOSA-N 450.561 2.418 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCO[C@H](Cc2ccccc2)C1 1359334020 QSUXPXHWQFGKNQ-JOCHJYFZSA-N 467.595 2.313 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1359336214 IKNCYQODLORTRR-VNTMZGSJSA-N 465.664 2.470 30 10 JEEE CC(C)OCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCO2)CC1 1360412949 GTEMDWVGONDVPO-JOCHJYFZSA-N 454.575 2.455 30 10 JEEE Cc1ccc(-c2nnc(N3CCC(Oc4cccc(C#N)c4)CC3)n2CCNS(C)(=O)=O)o1 1361208909 GOBOKJWMEZCITG-UHFFFAOYSA-N 470.555 2.315 30 10 JEEE N#Cc1ccc(CN2CC[C@H](NC(=O)N3CCC(CCCN4CCOCC4)CC3)C2=O)cc1 1478567384 HPMMGZOCZBTRDX-QHCPKHFHSA-N 453.587 2.193 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H](C)N1CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1507629950 RONRQHKTHVLWFF-DYXWJJEUSA-N 456.616 2.087 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CC1(C(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 1507637996 NSBMDCOAGQHIGV-OTWHNJEPSA-N 450.605 2.065 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(Br)s2)n1Cc1cn(C2COC2)nn1 1507648610 LTAHPCDFMZJRIB-UHFFFAOYSA-N 458.345 2.053 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCCN2CCCC2)cc1 1507669976 WSDKGGGPRNGQBZ-HSZRJFAPSA-N 495.649 2.166 30 10 JEEE C#CCN(CC)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@@]1(O)CCS(=O)(=O)C1 1507698697 PNDCQYVILKROIN-IBGZPJMESA-N 473.382 2.173 30 10 JEEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2ncccc2F)CC1 1507849271 VURUEZYMELGTHA-ICSRJNTNSA-N 460.554 2.456 30 10 JEEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1507966508 YWBYKEHWLCJEGZ-UHFFFAOYSA-N 461.574 2.326 30 10 JEEE C=CCN(Cc1cccs1)c1nnc(C(=O)N2CCCC2)n1CC1(C(N)=O)CCOCC1 1508006446 QRVCPSWDLWDOEI-UHFFFAOYSA-N 458.588 2.050 30 10 JEEE C=CCN(CC=C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCCS(=O)(=O)C1 1508015455 XCDSDRFQISKGRW-KRWDZBQOSA-N 464.613 2.352 30 10 JEEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1508061288 NIJIJPPCVHWCFT-KRWDZBQOSA-N 485.593 2.111 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC2([S@@](C)=O)CC2)C1 1508122078 CEYKECINSPIQKT-RQRDFJDXSA-N 495.646 2.279 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)CC1CC(F)(F)C1 1508136603 UZNRXPRQLUECHP-UHFFFAOYSA-N 478.529 2.003 30 10 JEEE CC(=O)N1CC[C@H](CN(C)c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCN(C(C)=O)C2)C1 1508197349 GGNSFSHSURKATO-DHIUTWEWSA-N 493.612 2.292 30 10 JEEE CC(C)CO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)NC(C)C)C1 1509462897 CQYGFXOAGKPNAS-FQEVSTJZSA-N 460.604 2.396 30 10 JEEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCN(C)C2)C[C@H]1NC(=O)OC(C)(C)C 1512419365 IEPSFTQRSVBZLG-FLPMJASOSA-N 481.601 2.233 30 10 JEEE CCNC(=O)C1(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC(CC#N)CC2)CCC1 1515970839 BTYNNBIGERPRKV-UHFFFAOYSA-N 450.547 2.362 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1ccnc(C(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 1539215906 LITRCHXWXLSFKL-KRWDZBQOSA-N 476.484 2.429 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@]1(O)CCOC1 1539323144 DCPOLYIGZOABSM-DVECYGJZSA-N 457.575 2.007 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCC(C(F)(F)F)CC1 1539369991 QXWVWVLZIZNXNM-JCYILVPMSA-N 477.553 2.439 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2Cc2ccc(OC)nc2)CC1 1539434554 MYHPPMAPNXKMQN-UHFFFAOYSA-N 478.553 2.178 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2oc(CC)nc2C)CC1 1539469253 PXDHIEHDUZSTQQ-RUZDIDTESA-N 484.601 2.192 30 10 JEEE C=C(Br)Cn1c(N(CC)CCS(C)(=O)=O)nnc1[C@@]1(OC(C)C)CCOC1 1539608934 HLOPWPXFBZTXJZ-QGZVFWFLSA-N 465.414 2.098 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCS(=O)(=O)c2ccccc2)CC1 1539847577 HWQWWPFQIDBWNZ-GOSISDBHSA-N 464.613 2.201 30 10 JEEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CN(C)C(=O)OC(C)(C)C)CC1 1540853890 UYGWETDLTGTCBR-HNNXBMFYSA-N 456.613 2.158 30 10 JEEE C=CCn1c(COc2ccc(C)cc2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1540860027 FNRUSAHVAJLNFM-UHFFFAOYSA-N 466.586 2.292 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2OCC)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1540875551 PMBDNQSDIJNNDC-MHPIHPPYSA-N 485.585 2.331 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 1540901445 DLUKULMWNSHKQP-UHFFFAOYSA-N 496.641 2.489 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@H](c2nnc(N3CC[C@@](F)(C#N)C3)n2CCNC(=O)C2CC2)C1 1541201131 ANTSSAHOTPEKCF-GAJHUEQPSA-N 475.569 2.361 30 10 JEEE CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1548317420 BBLUGYKCCLSDRN-UHFFFAOYSA-N 467.555 2.089 30 10 JEEE C=CCn1c(S)nc2cc(C(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)ccc2c1=O 1556131975 AZYLHSQALBAJLY-PBHICJAKSA-N 455.540 2.360 30 10 JEEE C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1)C1CCOCC1 1565106463 UDRQVJDBUDCRTG-QGZVFWFLSA-N 459.490 2.150 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCOC[C@H]2C)c1 1587683363 IMQKJMSBFHPZLS-QUCCMNQESA-N 464.570 2.243 30 10 JEEE C#CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCCN(C(C)=O)CC1 1587754587 HSIPDZKFMOSAEG-UHFFFAOYSA-N 457.604 2.100 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1C[C@@H](C1CC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1588041546 XSMNBJOURHWTJB-VXKWHMMOSA-N 455.628 2.474 30 10 JEEE C#CCN(c1nnc(Cc2c[nH]c3ccccc23)n1C[C@](C)(O)C(C)C)[C@H]1CCS(=O)(=O)C1 1588065403 YEPXARZMWZZLOK-CYFREDJKSA-N 469.611 2.384 30 10 JEEE C#CCN(c1nnc(COCC)n1Cc1ccc(OC)c(Br)c1)[C@H]1CCS(=O)(=O)C1 1588074034 HPNMWKFLRQFGJP-INIZCTEOSA-N 497.415 2.261 30 10 JEEE C#CCN(CC)c1nnc(-c2cc(Br)c[nH]2)n1CCN/C(O)=C1/N=CC=CC1=O 1588276666 UVQXQFRRTZUGGG-VLGSPTGOSA-N 458.320 2.022 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCc2ccccc2OCC)CC1 1588923908 PVLIFOXOLSCQLR-UHFFFAOYSA-N 461.570 2.286 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccccc1OC 1589663574 OUPWOXNRNUSLKP-FQEVSTJZSA-N 463.604 2.265 30 10 JEEE C=C(Cl)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1593834878 QMVVACYSKOIQNK-UHFFFAOYSA-N 461.910 2.180 30 10 JEEE C=CC[C@@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](C(=O)NC)C1)c1ccccc1 1594552087 GYTGQWBFFJCBEO-CMOCDZPBSA-N 469.586 2.313 30 10 JEEE C=CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1594784212 UNDJIPYBFOSPOL-BJLQDIEVSA-N 452.563 2.345 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CCN2[C@H](C)CC[C@H]2C)CC1 1595517501 ZOBPNKRYXMBPDW-NHCUHLMSSA-N 476.629 2.114 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC(OC[C@H]2CCCCO2)CC1 1595562166 PJAPVVRZWUMZFG-OAQYLSRUSA-N 454.575 2.121 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCN(C)CC(F)(F)F)C1 1595674174 NKZOZAXOQGQWLF-HNNXBMFYSA-N 453.469 2.201 30 10 JEEE C=CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1595838715 YMIGWVXCCOYRHV-KRWDZBQOSA-N 484.047 2.404 30 10 JEEE C=CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@]2(CCOC2)C1 1595851175 YNYYJPPVJKXHBO-JOCHJYFZSA-N 493.655 2.110 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCN1CCN(C)C(C)(C)C1 1596821822 FUQKFNOROKFSSG-FQEVSTJZSA-N 480.665 2.074 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@H]1CCCSC1 1608562877 DOHCEUNOVWMQFG-SFHVURJKSA-N 454.604 2.153 30 10 JEEE COc1ccc(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)cc1F 1619250437 GJGAKOUAAZTLLT-FOIQADDNSA-N 451.499 2.013 30 10 JEEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCOC[C@@H]2OC)C[C@@H]1C 1619937245 DWIRSPXIQLXIFV-NYVOZVTQSA-N 454.575 2.025 30 10 JEEE C=CCn1c(S)nc2cc(C(=O)N(CCN3CCOCC3)Cc3ccco3)ccc2c1=O 1626526687 MDBUODCPCZFFDT-UHFFFAOYSA-N 454.552 2.439 30 10 JEEE C#CCn1ccc(CN(CC)C(=O)NC[C@@H](c2ccc(OC)c(OC)c2)N2CCOCC2)n1 1665487994 GUQBIAIAZTXGTC-NRFANRHFSA-N 455.559 2.139 30 10 JEEE C#CCN(C)CCCNC(=O)N1CCN(Cc2nc(O)c3c4c(sc3n2)CCCC4)CC1 1682963138 DRIDFHIRGRAYPF-UHFFFAOYSA-N 456.616 2.058 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@H](C)c1ncc(C)s1)[C@H]1CCS(=O)(=O)C1 1689978391 USBMYMVKLGEKOL-YJBOKZPZSA-N 492.671 2.392 30 10 JEEE C#CCN(c1nnc(C)n1Cc1ccnc(OCc2ccccc2)c1)[C@H]1CCS(=O)(=O)C1 1689982237 JYIUZZSCZRYNIR-NRFANRHFSA-N 451.552 2.236 30 10 JEEE C#CCN(c1nnc(-c2cc(F)ccc2Br)n1CC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1689983058 ZUMDGLGSCCGCSC-CQSZACIVSA-N 485.379 2.244 30 10 JEEE C#CCN(c1nnc(-c2ccc(OCC)c(OC)c2)n1CCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1689984894 XQTOHHJDXCHJTH-FQEVSTJZSA-N 487.626 2.075 30 10 JEEE C#CCN(CC#C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCNC(=O)c1cc[nH]n1 1690001814 SUMVWLFBPBYZOK-INIZCTEOSA-N 451.918 2.297 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC1([S@@](C)=O)CC1 1690043741 MFIUPUFFSSWITF-UUWRZZSWSA-N 476.606 2.439 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCN2CCOC[C@@H]2C)CC1 1690111737 ITJBMLDKKCONPB-PMACEKPBSA-N 456.566 2.033 30 10 JEEE C=C(C)COCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCNC(=O)CC1 1690311534 NLPAJLIVNIQOQZ-SFHVURJKSA-N 462.595 2.312 30 10 JEEE C=CC[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCC(NS(C)(=O)=O)CC1)c1ccccc1 1690441754 FZTPCLKRYICPFF-HXUWFJFHSA-N 486.642 2.392 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 1690665855 ROVNUEASKJHSIJ-CQSZACIVSA-N 489.989 2.141 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](CNC(=O)CCC)C1 1690666012 WGOSEZDEHNNIEO-INIZCTEOSA-N 459.982 2.428 30 10 JEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(c2ccccc2CO)CC1 1690675259 UNSBWFMTBVQTNE-UHFFFAOYSA-N 463.586 2.318 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2Cc2snnc2C)c1 1705506775 IFOPSEUGHASTOE-QGZVFWFLSA-N 451.556 2.437 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCCCC1 1705583189 RZTNKLHRXAPENX-HXUWFJFHSA-N 456.591 2.145 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCC[C@H]1OC 1705591307 NHJLNGQUKYRDQR-RBBKRZOGSA-N 469.611 2.473 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN(C)[C@@H]1c1cccs1 1705628890 RQLGDUNTHHVRSN-SBHAEUEKSA-N 491.683 2.411 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3noc4c3COCC4)n2CC(C)(C)COCC)CC1 1705647326 FFDSEIDQMISDQE-UHFFFAOYSA-N 470.574 2.034 30 10 JEEE C#CCSCCn1c(N2CC[C@@H](S(C)(=O)=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705665618 YXYAHJAXNXXOBG-IXDOHACOSA-N 483.660 2.039 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1705792613 WWVWOTIOCWIBAT-CEXWTWQISA-N 467.636 2.219 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ccc(C)c(C)c2)CC1 1705894942 OQGHHWUFTCFOHM-UHFFFAOYSA-N 474.569 2.171 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1Cc2ccc(Br)cc2C1 1705934075 ALCMFUTTWZUPCD-INIZCTEOSA-N 480.388 2.113 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CC[C@@](O)(c2ccccc2F)C1 1705935785 CXTYSCMHKWUNRS-JTSKRJEESA-N 464.563 2.010 30 10 JEEE CCOc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1CC1(S(C)(=O)=O)CCCC1 1710568499 FEMWACVSYSBMCN-GOSISDBHSA-N 489.598 2.342 30 10 JEEE CO[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1)C(C)C 1711551306 BZSIGNCVCRTPRP-AZUAARDMSA-N 460.604 2.253 30 10 JEEE C#CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1722312076 TXYYMVQBGAMCNF-QGZVFWFLSA-N 487.490 2.229 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCOC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1722359354 LRRRGQKMHLZOHH-QRFRQXIXSA-N 473.555 2.153 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccccc1N1CCOCC1 1722391169 IUANIWMEYFKPLM-AREMUKBSSA-N 463.582 2.278 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2ccccc2OC)CCC1 1722413033 HOMVDERJNLYMAH-OAQYLSRUSA-N 487.626 2.201 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H](N1CCOCC1)C(F)(F)F 1722423472 DFOOPYKMXJYMEP-HXUWFJFHSA-N 495.502 2.065 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCCn2ccnc21 1722426276 FWFCHBUZYHKXOG-PMACEKPBSA-N 499.616 2.447 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2Cc2cc(C)no2)CC1 1722436338 DCCDWDBFFRXJCG-IBGZPJMESA-N 469.590 2.493 30 10 JEEE C#CCN1CCN(c2nnc(CC3CCCC3)n2CC2(NC(=O)OC(C)(C)C)COC2)CC1 1722439757 OJLJPKSFPPKBMW-UHFFFAOYSA-N 458.607 2.060 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CCCOC2CCOCC2)CC1 1722449755 YONLKPCBOVUOLT-UHFFFAOYSA-N 486.642 2.185 30 10 JEEE C#CCSCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCC[C@@H](C(N)=O)C1 1722457572 GLTCFSFHKWMLCN-QGZVFWFLSA-N 479.610 2.304 30 10 JEEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1722464362 CUMBGJOKIZYDTC-QHAWAJNXSA-N 488.702 2.306 30 10 JEEE C=C(Br)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@H](COCCOC)C1 1722481050 VXJUDNBRDFIUOO-INIZCTEOSA-N 489.378 2.319 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@](C)(C(N)=O)C1 1722495866 UICCIXIMMSZAQN-LTMIRXACSA-N 473.599 2.032 30 10 JEEE C=C(C)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1722523082 ZDLIGGSNXDGNRJ-GOSISDBHSA-N 499.641 2.407 30 10 JEEE C=C(C)COCCn1c(-c2ccc[nH]2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1722533903 DTYLWNUPDQSOIY-UHFFFAOYSA-N 455.607 2.437 30 10 JEEE C=CCCOCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1722629860 ZCYUJORHLKBKBW-LJQANCHMSA-N 480.660 2.231 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1([S@](C)=O)CC1 1722672837 AEJSYSDLQFTEIP-QTEAWJPNSA-N 462.641 2.326 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1722702563 PSNJRVPKGKGMGD-NRFANRHFSA-N 468.602 2.077 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)C1 1722708922 GLEGZZWSSIWDJM-SJORKVTESA-N 450.584 2.453 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC(CN2CCCCCC2)CC1 1722725005 KGGOLRVRSAGECE-UHFFFAOYSA-N 480.679 2.110 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1722727680 KIZMBVCWOHDDKL-FQEVSTJZSA-N 479.647 2.002 30 10 JEEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccc(OC)cc2C1 1722738376 IBDDMECFDPCWIY-FQEVSTJZSA-N 493.655 2.102 30 10 JEEE CN(C)C(=O)CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1729300447 FBFMFXPDFRFEHE-NRFANRHFSA-N 482.610 2.214 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CCc1ccc(N(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 1740626902 WWUZYPIGKKIEOE-HSZRJFAPSA-N 478.622 2.199 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1740627262 OYVPWSRDQHSABP-MSOLQXFVSA-N 467.636 2.359 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCN1CCCCCC1=O 1740669369 XMGIZHLLTVBPLE-UHFFFAOYSA-N 461.570 2.444 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1740704777 XMVXNEHPYZDWRQ-IBGZPJMESA-N 468.989 2.479 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC(OCC(N)=O)CC1 1740755713 LFKKZJIEKMJTJW-WZONZLPQSA-N 485.585 2.414 30 10 JEEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1740793952 NQJLLILOOVHREY-UHFFFAOYSA-N 464.574 2.290 30 10 JEEE C=CCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1740868604 OEYMAINIWKKNCI-RBUKOAKNSA-N 452.559 2.148 30 10 JEEE C=CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1740879609 KRUYXYOAZBMMFX-NRFANRHFSA-N 463.542 2.462 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1740954701 FCWVORCHRTVYTG-SFHVURJKSA-N 454.575 2.387 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCO[C@H](c3nnc(C(C)C)o3)C2)nnc1C(C)(C)C 1740995150 BORBXGWDBAGXHP-HNNXBMFYSA-N 452.581 2.261 30 10 JEEE C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CCN1CCSCC1 1741139126 AUMWLJWJKLOTNG-IAGOWNOFSA-N 462.645 2.123 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCC(CC#N)CC2)n1CCN1CCN(Cc2ccccc2)CC1 1741654579 COSQOXCZPURVDG-UHFFFAOYSA-N 478.645 2.364 30 10 JEEE CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1745675000 FXOZGYRCHJTSKH-LJQANCHMSA-N 451.575 2.272 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2Cc2ccc(F)cn2)c1 1748689949 KPWSZJVYCXLQAZ-UHFFFAOYSA-N 461.501 2.153 30 10 JEEE C#CCCCCn1c(-c2cccc(OC)c2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1748703143 LGALNBCGTMJNJB-UHFFFAOYSA-N 484.582 2.397 30 10 JEEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1OCC(F)(F)F 1748905322 CQLBCHVADHOEIJ-CQSZACIVSA-N 459.494 2.337 30 10 JEEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1749039828 CLZOTNGLAKIDSQ-IBGZPJMESA-N 454.600 2.284 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cc(F)cc(F)c1 1749066136 HKHWIKAMABBVJM-DENIHFKCSA-N 479.553 2.124 30 10 JEEE C=C(Br)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1749091625 BDZHUUIBBPDESG-AWEZNQCLSA-N 465.377 2.195 30 10 JEEE C=C(Br)Cn1c([C@H]2CCOC2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1749101310 ABRDLOBNDIQFKX-NEPJUHHUSA-N 452.275 2.195 30 10 JEEE C=C(Cl)Cn1c(N2CC[C@H](S(C)(=O)=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1749281840 MMEZBUGHRMZPNT-ZNMIVQPWSA-N 460.000 2.425 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC(n2ccc(C(F)(F)F)n2)CC1 1749669418 KLEYRXDCIUHQBQ-CQSZACIVSA-N 453.469 2.141 30 10 JEEE C=CCNC(=O)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC(F)(F)CC1 1749677342 WOISTQZWNWZEGP-UHFFFAOYSA-N 473.572 2.181 30 10 JEEE COCCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cc(Br)cs1 1749830190 GFKAISJEISGQFH-AWEZNQCLSA-N 453.366 2.468 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1C[C@H]1CC[C@@H](F)C1 1751220677 FPWBEZNPRYHOKR-RYQLBKOJSA-N 493.584 2.364 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CCNC(=O)c1cc[nH]n1 1760104899 IZNPONHXOUCIRW-CYBMUJFWSA-N 472.347 2.327 30 10 JEEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1760143818 STOZSJXUWFNFFU-RXVVDRJESA-N 469.546 2.435 30 10 JEEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1760144550 SVIHPQGHRYNRQT-FQEVSTJZSA-N 471.005 2.433 30 10 JEEE C#CCCCn1c(N2CCC(N3CCN(CC)C3=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1760159574 KSCXZLBPJHQUOL-XMMPIXPASA-N 458.607 2.458 30 10 JEEE C#CCCCn1c(N2CCN3C(=O)N(C)C[C@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1760161564 JGAZYSRJBJSBRF-KSZLIROESA-N 457.579 2.018 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCc1ccccn1)[C@@H]1CCS(=O)(=O)C1 1760185361 WIVVPKOYCJAXFK-HXUWFJFHSA-N 451.552 2.218 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1CC1(O)CCCC1)[C@H]1CCS(=O)(=O)C1 1760191250 DLHDDAJWZAZWKY-FQEVSTJZSA-N 472.611 2.406 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2CC[C@H](C(F)F)N2CCOCC2)CC1 1760264380 KZEUXVDVKURDFV-HXUWFJFHSA-N 492.546 2.107 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCN2CC=CCC2)CC1 1760267199 VBZUODBIVWQNCZ-UHFFFAOYSA-N 463.542 2.081 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2CCCN2CCCO[C@H](C)C2)CC1 1760268422 QWTBNMGPPICDIR-OAQYLSRUSA-N 464.614 2.412 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CCc2nccs2)CC1 1760271827 NWYFCTPRMFIWMW-UHFFFAOYSA-N 455.613 2.299 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(CCOC)CC1 1760317224 CINZLCVGPUUMET-UNMCSNQZSA-N 489.642 2.098 30 10 JEEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1760358866 ADMGQMSBOLYRMB-UHFFFAOYSA-N 450.591 2.302 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCc2ccc(Br)cc2C1 1760555454 GDPNXURHKFFEDK-QGZVFWFLSA-N 494.415 2.155 30 10 JEEE CC(C)(C)C(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1760717631 FVQAVIGMUTUFDH-FQEVSTJZSA-N 493.612 2.482 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCNC(C)=O)[C@H]2c2ccccc2C(=O)O)cc1F 1862640612 PYXDSJQHCYXHOE-IBGZPJMESA-N 456.426 2.247 30 10 JEEE C=CCNS(=O)(=O)c1ccc2nc(NC(=O)[C@H](Cc3ccc(O)cc3)NC(C)=O)sc2c1 1866111922 KJFIIKAPHNENPG-SFHVURJKSA-N 474.564 2.152 30 10 JEEE C=CCN(CC=C)C(=O)[C@](C)(CC)NC(=O)c1ccc2c(c1)C(=O)N(CCCN(C)C)C2=O 1868606916 DCNNNBDFLAGUDY-VWLOTQADSA-N 454.571 2.333 30 10 JEEE C=CCn1cc(OCCN2C(=O)c3ccccc3C2=O)c(=O)cc1CN1C[C@H](C)O[C@H](C)C1 1870378033 HNWXCZMTJPORJP-HDICACEKSA-N 451.523 2.319 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)N(C)C[C@H]2CCCO2)cn1CCCCCO 1870548764 CAYZURXAFZNRPF-JOCHJYFZSA-N 461.603 2.201 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)Nc2ccc(OC)cc2)cn1CCN1CCOCC1 1870739469 AURJJMSDXLIQHE-UHFFFAOYSA-N 496.608 2.381 30 10 JEEE COCCN1CC(=O)C(c2nc3ccccc3s2)=C1NC(=O)CNC(=O)c1ccccc1 1873710968 BAMOREZDESQFPS-UHFFFAOYSA-N 450.520 2.042 30 10 JEEE CCOc1ccc(OCc2nnc(SCC(N)=O)n2/N=C/c2ccc(OC)c(O)c2)cc1 1874235779 ZXTSLGSWXZEKEK-FOKLQQMPSA-N 457.512 2.430 30 10 JEEE COc1ccc(Cc2nnc(SCC(N)=O)n2/N=C/c2cccc([N+](=O)[O-])c2)cc1OC 1874238086 PYUKYFILWGBXGZ-SSDVNMTOSA-N 456.484 2.254 30 10 JEEE CCCNC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1ccccc1[N+](=O)[O-] 1874338151 NTCRRPUYQFZISC-BRUSPLQXSA-N 473.559 2.411 30 10 JEEE CC1(C)OB(c2cc(C(=O)N[C@@H](CNC(=O)OCc3ccccc3)C(F)(F)F)[nH]n2)OC1(C)C 2255629128 RFYIQQMHXXVCLE-HNNXBMFYSA-N 482.268 2.296 30 10 JEEE CN(C1CN(C(=O)OC(C)(C)C)C1)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2255799408 HYUXLHKEPOOUJB-UHFFFAOYSA-N 472.438 2.428 30 10 JEEE C[C@@H]1CN(Cc2ccccc2)CCN1S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2267351065 SDJWVLPOBBWGFN-GOSISDBHSA-N 457.405 2.276 30 10 JEEE CC(C)(C)OC(=O)NC[C@]1(F)CC[C@@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2268644901 NNXXISXZFRCAQW-ODXCJYRJSA-N 470.376 2.231 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CCO)C(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)ccc1F 2268717532 YJDHVTIVFCYAIM-QGZVFWFLSA-N 452.332 2.017 30 10 JEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1C[C@@H](O)CC12CN(C(=O)OC(C)(C)C)C2 2281796758 NYDXWUHGAUALNV-HNNXBMFYSA-N 462.352 2.084 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H](O)C[C@H]2CNC(=O)OC(C)(C)C)c1 2282091151 DVCXNFVCVNNNHS-DLBZAZTESA-N 460.380 2.394 30 10 JEEE C[C@H](CNC(=O)c1coc(B2OC(C)(C)C(C)(C)O2)c1)N1CCN(C(=O)OC(C)(C)C)CC1 2282531041 DBVCCILGSTVEJH-MRXNPFEDSA-N 463.384 2.250 30 10 JEEE C[C@H]1C[C@H](CNC(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CN(C(=O)OC(C)(C)C)C1 2282536159 YUESKBHORMTCGS-JKSUJKDBSA-N 462.400 2.342 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@]23CCN(C(=O)OC(C)(C)C)C[C@@H]2C3)n1 2282599070 NRKLERYWDUJHBZ-NPMXOYFQSA-N 460.384 2.332 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)[C@H](CO)C1 2282653051 BVRQHFRIZMOSSP-LPHOPBHVSA-N 460.380 2.334 30 10 JEEE CC1(C)OB(c2ccc(C(=O)NCC[C@@H]3CN(Cc4ccccc4)CCO3)nc2)OC1(C)C 2282705959 FSKBLNBXOARZRN-OAQYLSRUSA-N 451.376 2.402 30 10 JEEE CC(C)(C)OC(=O)N1CC(C2CN(S(=O)(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)cc3)C2)C1 2282852742 SYAIWZZIBMFUHH-UHFFFAOYSA-N 478.420 2.473 30 10 JEEE CC1(C)OB(c2cncc(S(=O)(=O)N[C@@H]3CCOC[C@H]3OCc3ccccc3)c2)OC1(C)C 2282864155 ZNHHWWQYGALNCD-NHCUHLMSSA-N 474.388 2.033 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(CNC(=O)[C@@H](CCC(N)=O)NC(=O)OC(C)(C)C)s1 2284140118 ULNKKFKUZJMIGJ-OAHLLOKOSA-N 481.424 2.131 30 10 JEEE CC#CCN(CC(=O)NC[C@@H](C)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1)C(=O)OC(C)(C)C 2316017000 QASWECPUTNGCKV-UZUQRXQVSA-N 453.580 2.371 30 10 JEEE NC(=O)CSc1nnc([C@H]2CC(=O)N(Cc3ccccc3)C2)n1N=Cc1cccc([N+](=O)[O-])c1 2325917497 ABQBGIOUVHVAOO-KRWDZBQOSA-N 479.522 2.162 30 10 JEEE COc1ccc(NC(=O)COCCNC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2339735513 KZXQKCRCVPKOMP-UHFFFAOYSA-N 450.341 2.474 30 10 JEEE COc1nc(N(C)CCOCCNC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2339785049 MLQMHDKLUULWIO-UHFFFAOYSA-N 451.373 2.367 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@]2(C)C1 2362343353 FMJYYRGZUGYBNR-CMJOXMDJSA-N 460.384 2.048 30 10 JEEE CC(C)(C)OC(=O)N1CC2(CC[C@H](NC(=O)c3cnsc3B3OC(C)(C)C(C)(C)O3)CO2)C1 2362503579 RPZHLHYUGIRXON-AWEZNQCLSA-N 479.408 2.341 30 10 JEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCCc2ccn(-c3ccccc3)n2)CC1 509871082 HLRLQAJILIFCJI-UHFFFAOYSA-N 464.551 2.003 30 10 JEEE CN1C(=O)COc2ccc(C(=O)C[S@@](=O)CC(=O)Nc3sc4c(c3C#N)CCCC4)cc21 586346017 GMUKJGWRQCDRNB-JGCGQSQUSA-N 471.560 2.424 30 10 JEEE CC#CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@](C)(CO)C(=O)O 757212179 PXOFSHVOFZIEMF-PXDATVDWSA-N 450.491 2.259 30 10 JEEE C#C[C@@]1(O)CCN(C(=O)[C@H](CCC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)C1 757470826 WHYZJVQSEKFERX-BKMJKUGQSA-N 462.502 2.355 30 10 JEEE COc1ccc(C=NNc2nc(SCC(=O)Nc3nncs3)n[nH]2)cc1OCn1cccn1 1083890391 CUWJQRXMKRLCER-UHFFFAOYSA-N 486.543 2.075 30 10 JEEE C#CCN(CC(=O)N1CCNC(=O)[C@H]1c1ccc(Br)cc1)C(=O)OC(C)(C)C 1155366120 YDGNBSYRROHRQF-QGZVFWFLSA-N 450.333 2.319 30 10 JEEE CC(=O)N[C@](C)(C(=O)NCCSCc1ccccc1C#N)c1ccc(S(C)(=O)=O)cc1 1264300901 UAZRGMSMTQMHCJ-QFIPXVFZSA-N 459.593 2.363 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H]1CCCS1)[C@@H]1CCS(=O)(=O)C1 1286389247 ZUKYBUIUCDGVOE-QZTJIDSGSA-N 476.624 2.485 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H](C)Oc1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 1286393127 KDDFGEKCVQQJIO-ZCNNSNEGSA-N 488.610 2.275 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cc(Br)c[nH]2)n1CCNS(C)(=O)=O 1286454636 MUSUBJFOBIHSSR-UHFFFAOYSA-N 495.378 2.364 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)OCC 1286458425 UDRCQHPWCAJKPE-FQEVSTJZSA-N 493.605 2.205 30 10 JEEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2Cc2cccc(OCCN(C)C)c2)CC1 1286482215 NKZCOLWANNYMED-UHFFFAOYSA-N 459.598 2.008 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCCN(C)Cc2ccccc2)CC1 1286485616 RMDRUVUZWURSKQ-UHFFFAOYSA-N 491.640 2.002 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@](C)(O)c2ccc(F)cc2)CC1 1286485928 COUCMGRDYWSCCQ-SANMLTNESA-N 498.603 2.209 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@H](C)N(C)Cc2ccccc2)CC1 1286489673 BQFFTWVTLKRMDV-FQEVSTJZSA-N 472.597 2.221 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(C(=O)NC)cc1 1286556432 PFPATXQOMNCFCK-DYXWJJEUSA-N 452.559 2.206 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCCO[C@@H]2C(C)C)CC1 1286645780 IEZRUCFWWCKNKR-SLFFLAALSA-N 467.636 2.219 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCN(CC(C)C)CC1 1286787549 WIDPSWQBVXZQJO-UHFFFAOYSA-N 492.628 2.145 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC[C@H]1C 1286819613 PTQZSWQPEVCBLC-MRXNPFEDSA-N 456.572 2.264 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1286822113 HCSIWEIWHJJRPO-UHFFFAOYSA-N 490.630 2.307 30 10 JEEE C=CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1286827000 ZWQHDNLYLROWNB-UHFFFAOYSA-N 468.543 2.359 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@H]1CN(Cc2ccccc2)CCO1 1288124350 CCDWCJLYVPPQFX-BWKNWUBXSA-N 465.602 2.447 30 10 JEEE COc1ccc(OCc2nnc(N3CCC(C#N)CC3)n2C[C@@H]2CCCN2CCCO)cc1 1300269861 APUVZXALODJSCI-FQEVSTJZSA-N 454.575 2.452 30 10 JEEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1C[C@@H](C)CN1CCOCC1)[C@H]1CCS(=O)(=O)C1 1300481862 CBJFEAITCQBIRY-OEMFJLHTSA-N 499.681 2.415 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1C[C@H](C)Oc1ccccc1OC)[C@H]1CCS(=O)(=O)C1 1300501672 MYLSKENPGUYAII-HKUYNNGSSA-N 458.584 2.333 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(Br)c2)n1CCOCCS(C)(=O)=O 1300559293 NQAVMVRQKAWQFT-UHFFFAOYSA-N 479.400 2.232 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccnc(OC2CCCC2)c1 1300672093 VRWBNKXVPOEQKU-LJQANCHMSA-N 473.599 2.031 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCCSCC)CC1 1300719107 OPWQOYGATNWHFP-UHFFFAOYSA-N 479.614 2.030 30 10 JEEE C=C(C)COCCn1c(N2CC(C)(C)O[C@]3(CCOC3)C2)nnc1[C@]1(OCC)CCOC1 1301002081 SXRCQIXYNWAZLF-PKTZIBPZSA-N 450.580 2.297 30 10 JEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(N3CCCC3)nc2)CC1 1301106435 UMIUICRQFAVTFH-KRWDZBQOSA-N 459.620 2.334 30 10 JEEE C=CC1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCNS(=O)(=O)CC)CC1 1301135343 JQPVTYHMKDBKJI-HDICACEKSA-N 482.651 2.391 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCOC2(CCC2)C1 1301500119 JKWPNMVKRRMLRB-SFHVURJKSA-N 474.606 2.454 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](c2ccc(F)cc2F)C1 1301520406 FYZCJFDIWBYGRY-ZRCAFCQKSA-N 477.512 2.160 30 10 JEEE CC(C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2cccnc2)CC1 1303457181 FWIIFGFAMKPAMX-UHFFFAOYSA-N 458.570 2.101 30 10 JEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 1358913213 IRBNXWYRZNHGIS-ROUUACIJSA-N 465.620 2.477 30 10 JEEE C#CCCCCn1c(N2CC[C@H](C(=O)NCC(F)(F)F)C2)nnc1[C@]1(OCC)CCOC1 1358917512 SQMATBLVNXKCDJ-JXFKEZNVSA-N 457.497 2.239 30 10 JEEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1[C@H]1C[C@H](c2cccc(Cl)c2)C1 1358948928 OYCJZWBGXFFFGF-BHIYHBOVSA-N 463.991 2.453 30 10 JEEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCN1CCCO[C@@H](C)C1 1358949312 YIZKGQFLPNIZHR-FQEVSTJZSA-N 452.607 2.022 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1sccc1Br)[C@@H]1CCS(=O)(=O)C1 1358963647 LQRXGJSYORWUDI-ZIAGYGMSSA-N 485.429 2.281 30 10 JEEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1C[C@@H]1CCC=CO1)[C@@H]1CCS(=O)(=O)C1 1358967217 GEHFLLAWLRZWKG-NQIIRXRSSA-N 472.567 2.185 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@@H]1CCCN(C(C)=O)C1)[C@H]1CCS(=O)(=O)C1 1358968105 ZMENWTNPYWPFSQ-YADHBBJMSA-N 499.637 2.051 30 10 JEEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1(S(C)(=O)=O)CCCC1 1358993619 SEHNDRHCFJFNDS-UHFFFAOYSA-N 495.653 2.272 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1Cc1cc2c(cc1OC(F)F)OCO2 1359022674 IUNRIZMXQGXWKP-UHFFFAOYSA-N 460.441 2.143 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccnc3)n2C[C@@H]2CC(F)(F)CO2)n1 1359027834 XPXMWHWPFFBBEO-IBGZPJMESA-N 457.485 2.247 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2Cc2ccc(C(N)=O)nc2)CC1 1359031980 WTCCHZGPAHLCTB-UHFFFAOYSA-N 494.397 2.313 30 10 JEEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1359038909 PSCSJJSIDOKURR-NRFANRHFSA-N 493.612 2.032 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3ccc4ccccc43)n2CC(C)(C)C(=O)NC)CC1 1359047230 XBYTVTNTXODOBR-UHFFFAOYSA-N 475.597 2.019 30 10 JEEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)Cc1ccc(F)cc1 1359057180 UOLIOYDUIBKHQA-IBGZPJMESA-N 481.619 2.143 30 10 JEEE C=CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1359214112 RSPDKFCTZFOKKX-UHFFFAOYSA-N 495.675 2.065 30 10 JEEE C=CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC1(O)CCS(=O)(=O)CC1)C1CC1 1359246006 MJFRBTYFTPXNQS-UHFFFAOYSA-N 473.599 2.242 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 1359300337 ZRJZQHYNJLCKCR-RBUKOAKNSA-N 467.574 2.033 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CC(=O)N(C)C[C@@H]1C 1359304283 TVVOZWJFMAXVJL-SFHVURJKSA-N 454.575 2.258 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@@H](C)CC1 1359329580 NTWSJJLKTWXSFV-QGZVFWFLSA-N 456.576 2.148 30 10 JEEE CC(C)(C)NC(=O)CCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1359552011 ARUSACXALUPGAX-FQEVSTJZSA-N 479.585 2.155 30 10 JEEE CS(=O)(=O)CC[C@H](Cc1cccc(Br)c1)C(=O)Nc1nc(C#N)c(C#N)[nH]1 1452523589 FVAUZIREIVOYRC-GFCCVEGCSA-N 450.318 2.148 30 10 JEEE CC[C@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@H]1CCCN1CCCO 1495771514 APKGVFVHKSFLII-SLFFLAALSA-N 467.622 2.015 30 10 JEEE CCCN(CC)CCn1c(-c2ccc[nH]2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1500783985 HPVQGMXRURKSMP-UHFFFAOYSA-N 450.595 2.245 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(CN2CCCCC2)cc1 1507517719 RHNLZBMNJRMTIY-OALUTQOASA-N 458.632 2.380 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1CCc1nccc(C(F)(F)F)n1)[C@@H]1CCS(=O)(=O)C1 1507633240 DXQRAWZKZRGNDY-OAHLLOKOSA-N 470.521 2.155 30 10 JEEE C#CCN1CCN(c2nnc(CCCOc3ccc(Cl)cc3C)n2CCC(=O)NC)CC1 1507728414 TVXYABNFMYDJFW-UHFFFAOYSA-N 458.994 2.143 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2C[C@@H]2CN(Cc3ccccc3)CCO2)CC1 1507733524 BLWCNDARZOCBPY-QHCPKHFHSA-N 464.614 2.268 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1508071391 IVCFIMKEDWVLMH-IEBWSBKVSA-N 472.977 2.169 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCN([C@@H](C)c2nc(CC)no2)CC1 1508079441 VUKVJGHRLITQAM-KRWDZBQOSA-N 450.547 2.076 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@@H](C)[C@@H]1CC 1508136584 URFRMGXWADDJSJ-APWZRJJASA-N 456.576 2.146 30 10 JEEE C=CCSCCn1c(N2CCNC(=O)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1508166691 BFYXPJGFNBZSRE-IYBDPMFKSA-N 450.609 2.294 30 10 JEEE CN(Cc1cccc(Br)c1OCCS(C)(=O)=O)C(=O)c1cccc(C#N)n1 1523435616 GQHUHCCSFJBFII-UHFFFAOYSA-N 452.330 2.411 30 10 JEEE CCS(=O)(=O)N1CCC([C@H](C)N(C)C(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)CC1 1527451894 AWYSKHVATNQWOR-LPHOPBHVSA-N 450.580 2.432 30 10 JEEE CCN(CC)S(=O)(=O)c1cc(C(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)ccc1OC 1527484190 DBRBADJTDLOUGB-GOSISDBHSA-N 458.540 2.286 30 10 JEEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCN1CCN(Cc2ccccc2)CC1 1539156057 ZKEAVOREWKQZHB-SANMLTNESA-N 466.630 2.206 30 10 JEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1cccc(OCC(C)C)c1)[C@@H]1CCS(=O)(=O)C1 1539201205 YLAYYRCQVLVODL-OAQYLSRUSA-N 499.637 2.224 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CC[S@@](=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1539211742 KQXPVTQUJMFAHD-BEIWTESXSA-N 484.047 2.167 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1Cc1cnc(C)s1)[C@H]1CCS(=O)(=O)C1 1539229815 IQFLKLNFHFLBIH-KRWDZBQOSA-N 475.571 2.436 30 10 JEEE C#CCN(CC#CC)c1nnc(COc2ccc(Cl)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1539337131 LBLDSTLOZUDJPC-LJQANCHMSA-N 476.002 2.397 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CCN(C)CC(F)(F)F)CC1 1539434979 ZWVWWCCZXNQABX-UHFFFAOYSA-N 496.534 2.220 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2cc(OC)ccc2OC)CC1 1539481613 MQYFIXRMNIJAHI-LJQANCHMSA-N 467.570 2.203 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2Cc2ccc(OCCC)nc2)CC1 1539484506 RLFWEOUBNNNFCO-UHFFFAOYSA-N 473.581 2.462 30 10 JEEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCCN(CCC)C(=O)C1 1539510192 GCDKZOWTIPGACB-UHFFFAOYSA-N 479.610 2.007 30 10 JEEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1539524471 FUTVBBVIEWUBDM-QFIPXVFZSA-N 495.678 2.349 30 10 JEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N(C)C[C@@H]1CN(CC)c2ccccc2O1 1539526133 JSHQFODYCNMBET-LJQANCHMSA-N 468.627 2.491 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1539917295 SZEIZAXLAXKVAP-RBUKOAKNSA-N 481.663 2.345 30 10 JEEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 1540859945 XNUHFSAUJILXPD-UHFFFAOYSA-N 450.568 2.479 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)c1cc(OC)cc(OC)c1 1540862286 XNAFYPALSMXBAP-UHFFFAOYSA-N 451.487 2.013 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 1540903003 VYLWACNOWKUDTD-RCCFBDPRSA-N 483.635 2.122 30 10 JEEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(N(C)C)CCSC1 1541893851 CXFYOXKVJLNLPV-VGOFRKELSA-N 492.671 2.035 30 10 JEEE C#CCN(C)c1nnc(Cc2c(F)cccc2F)n1CCCN1C(=O)NC2(CCCC2)C1=O 1587994496 GQTZISVUCMNMQT-UHFFFAOYSA-N 456.497 2.471 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1cn(CCCCC)nc1C)[C@@H]1CCS(=O)(=O)C1 1588053988 JKQNSLPWFBVAQE-TZIWHRDSSA-N 474.631 2.152 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1CC1(COC)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1588064096 ACIRQPDBGMJFFL-LJQANCHMSA-N 478.640 2.000 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CC[C@](C)(O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1588064359 GVNRJWZUWUDCGP-RDGATRHJSA-N 479.606 2.188 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H](C)COC)CC1 1588812202 QOSCDHFYEJZZSZ-VQTJNVASSA-N 460.623 2.430 30 10 JEEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1589089498 SGQGTXPNZIZZCW-FQEVSTJZSA-N 459.689 2.216 30 10 JEEE C=C(Br)Cn1c(Cc2cccnc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1589427329 ICMXBOCGULPZCA-UHFFFAOYSA-N 469.409 2.033 30 10 JEEE C=C(Br)Cn1c(COc2ccccc2OCC)nnc1N1CC[C@H](C(N)=O)C1 1589449317 AODNERWALXDLLR-AWEZNQCLSA-N 450.337 2.476 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2OC)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1589571616 ZOKVLSPQINWGMK-HMFYCAOWSA-N 476.599 2.470 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC1(O)CCOCC1 1595161875 OESFKFMSNWOQRL-QGZVFWFLSA-N 466.629 2.366 30 10 JEEE C=CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1595330157 LZOOKOCHTJLWNT-UHFFFAOYSA-N 471.558 2.232 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC(Oc2cncc(Cl)n2)CC1 1595555642 GEZUGMAOIDDXHV-UHFFFAOYSA-N 468.949 2.057 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC(Cn2cncn2)CC1 1595602242 HNLAMGOQHOQRJM-IBGZPJMESA-N 499.620 2.160 30 10 JEEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(C#N)cc1 1595885050 ZSWQIIDJPGQGRM-LJQANCHMSA-N 476.628 2.038 30 10 JEEE C[C@H](C#N)CN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCN1CCOC[C@@H]1C 1596781791 FCJWFCFMWJUZKP-SJORKVTESA-N 459.982 2.178 30 10 JEEE CC(C)OCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1611108988 DYFWQRDKAFARAF-OAQYLSRUSA-N 486.642 2.189 30 10 JEEE Cc1cnn(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N(Cc2ccc(C#N)cc2)C2CC2)c1 1612340957 HULNESZIHCDGNN-KRWDZBQOSA-N 468.587 2.134 30 10 JEEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCOC[C@@H]2OC)C[C@H]1C 1619937244 DWIRSPXIQLXIFV-COPCDDAFSA-N 454.575 2.025 30 10 JEEE COc1ccccc1CN(C[C@H]1CCCO1)C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 1626105841 IFFQHUGIZYFQKB-YLJYHZDGSA-N 457.552 2.441 30 10 JEEE Cn1cc(CN(CCn2ccnc2)C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)cn1 1636222270 GGYSVCKEZUGSSO-GOSISDBHSA-N 451.918 2.224 30 10 JEEE COc1cc(OCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)ccc1C#N 1651953118 FDRLSNNCDSPPAS-UHFFFAOYSA-N 455.945 2.194 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2CCCN2C[C@@H](C)O[C@H](C)C2)c1 1689870311 JSEOHEIDTFHRRF-WOJBJXKFSA-N 488.596 2.291 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@H]1CCCCN1CCC)[C@H]1CCS(=O)(=O)C1 1689993234 YMSPLQVATABUNK-YADHBBJMSA-N 470.643 2.155 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1ccc(OCCC)nc1 1690009265 ZREPLBQEGCLHMK-UHFFFAOYSA-N 453.510 2.226 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1coc(-c2ccccc2)n1 1690032859 LABFCZZXVYMQIK-KRWDZBQOSA-N 452.540 2.055 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1CC(=O)N(CCOC)C1 1690075240 GDKJYFUUZMJFPQ-WOJBJXKFSA-N 488.633 2.347 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1CCn1cc(Cl)cn1 1690088759 WCQBOMMASXYOLI-HNNXBMFYSA-N 479.969 2.217 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccnc(C(F)(F)F)c2)CC1 1690143052 ZSXBJXCFDQAEQN-UHFFFAOYSA-N 472.475 2.107 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(OC)cc3)n2CC[C@@H]2CCOC2)CC1 1690152623 RSHKGYKQZDQQJQ-LJQANCHMSA-N 467.570 2.258 30 10 JEEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1690183161 OEBCGYOXRIKVOY-FQEVSTJZSA-N 470.647 2.088 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC([C@H]2CCOC2)CC1 1690236818 RNNCXFDEAPQKRH-LMCOJAPRSA-N 467.636 2.122 30 10 JEEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1690451578 KEKVJOYMSVENPM-GJZGRUSLSA-N 452.547 2.317 30 10 JEEE CC(=O)N(C)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCc2ccco2)CC1 1690778716 GUSOTEBZJOZTTH-UHFFFAOYSA-N 491.552 2.085 30 10 JEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1705538666 WQDOYPWIWMLCBO-HXUWFJFHSA-N 497.669 2.206 30 10 JEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCOc1ccc(Cl)cn1 1705545186 SCAPXFSZTGEOIB-UHFFFAOYSA-N 474.974 2.392 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCN1CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1705566126 YNYMUIMSGCQHGY-UGKGYDQZSA-N 466.611 2.175 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(F)c(COC)c2)CC1 1705647609 HSXJYVAGQDYUNX-LJQANCHMSA-N 455.534 2.082 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OC)n2CC2CCOCC2)CC1 1705651425 WNSHULWSIXQKHU-UHFFFAOYSA-N 467.570 2.258 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(Br)n1 1705716379 JDIDBSGLENXMQM-MRXNPFEDSA-N 499.435 2.219 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cccc(NC(C)=O)c2)CC1 1705782533 YWQSLGMHMIVLQT-OAQYLSRUSA-N 488.614 2.020 30 10 JEEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1705786629 UOGHFPKDXLBELK-KRWDZBQOSA-N 481.667 2.217 30 10 JEEE C=CCN(CC=C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1cnn(C)c1C 1705870561 LGXCFZPFIWLJBP-UHFFFAOYSA-N 455.588 2.464 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CCCn2cc(Br)cn2)C1 1705928281 CULBXBFRKVCPQM-KRWDZBQOSA-N 478.395 2.231 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@H](C)S[C@H](C)C1 1705934819 YIMVOGOQYYLTFS-IYBDPMFKSA-N 488.639 2.123 30 10 JEEE C=CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1705947939 DBYIBHPTDZXMCU-CVEARBPZSA-N 460.629 2.436 30 10 JEEE CC(C)CN1CCO[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@H](C)[C@H](C)S(C)(=O)=O)C1 1706516782 GUWLTGWPRBWROL-DXIQSLLYSA-N 488.658 2.431 30 10 JEEE Cc1ccc(C)c(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCCN2CCC(O)CC2)c1 1707336226 BHGDQNNFCJDAFI-NRFANRHFSA-N 454.575 2.050 30 10 JEEE COc1ccc(Br)c(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@]2(O)CCSC2)c1 1711714911 CPJRGRRSLJJDOX-LIRRHRJNSA-N 480.388 2.313 30 10 JEEE CS(=O)(=O)CC1(Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCO[C@@H](C#N)C2)CC1 1712695007 GXLXTDZMUHNADR-AWEZNQCLSA-N 453.927 2.291 30 10 JEEE C#CCN(c1nnc(-c2ccc(OCC)c(OC)c2)n1CCC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1722363425 SZJULSXLRIFLSK-LJQANCHMSA-N 488.610 2.284 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CC1(N(C)C)CCC1)[C@@H]1CCS(=O)(=O)C1 1722367900 XYPLANHSGLFPSS-MRXNPFEDSA-N 495.447 2.147 30 10 JEEE C#CCN(c1nnc(C2CCC2)n1C[C@H](CC)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1722369320 XOGFPASSKNYDKK-ROUUACIJSA-N 465.620 2.476 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1Cc1snnc1C)[C@H]1CCS(=O)(=O)C1 1722370370 BSKGAIHEYIHCPK-KRWDZBQOSA-N 472.596 2.000 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN(C)CCCOC 1722471797 RAULATPITCKESI-RUZDIDTESA-N 463.586 2.152 30 10 JEEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1722607155 NUVVCELGBGJTQJ-OAQYLSRUSA-N 464.613 2.330 30 10 JEEE CCOC1CC(O)(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(CC(=O)N(C)C)CC2)C1 1728934734 GVFJMCHNGVHVPE-UHFFFAOYSA-N 466.586 2.441 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2C[C@@H](C)CN2CCOCC2)c1 1740564450 NDRHONMNQNRVLB-NRFANRHFSA-N 487.608 2.288 30 10 JEEE C#CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(C)=O)CC1 1740576128 XYTBFOSAVVWBOS-IBGZPJMESA-N 460.579 2.059 30 10 JEEE C#CCN(c1nnc([C@@H](CC)c2ccccc2)n1CCc1cn[nH]c1)[C@@H]1CCS(=O)(=O)C1 1740617402 QNXXISUVUYIKJF-RTWAWAEBSA-N 452.584 2.413 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCSC1(C)C)[C@@H]1CCS(=O)(=O)C1 1740627252 OXDSXJWQBWJWTM-FGTMMUONSA-N 452.646 2.331 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2Cc2ccc(OC)nc2OC)CC1 1740703859 CHAPCXFLDOYKHM-UHFFFAOYSA-N 475.553 2.075 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)NCCCC)CC1 1740745621 ZNCGNAYGAGIBAP-MRXNPFEDSA-N 488.452 2.222 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1740760121 GTOUKDCDXJYPTF-YRPNKDGESA-N 467.636 2.267 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)CC1CCC1 1740762705 VUIQNVBUEUDUEO-AQNXPRMDSA-N 467.636 2.219 30 10 JEEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(C)s1 1740795074 NDJXQNZQJULNLP-SFHVURJKSA-N 469.633 2.210 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](c2ccnn2C)C1 1740955000 UZBKOWSZHPKHES-KRWDZBQOSA-N 450.503 2.273 30 10 JEEE C=CCNC(=O)Cn1c(N2CCOC3(CCC3)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740965428 OVYCKQSINJQFFB-CALCHBBNSA-N 460.579 2.110 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2CCNc2nccc(C(F)(F)F)n2)C1 1740982970 ZCGLNLQMXPGHLJ-HUUCEWRRSA-N 453.469 2.484 30 10 JEEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)c2ccsc2)CC1 1741005475 KOUSCZDKXZCAHV-UHFFFAOYSA-N 460.629 2.344 30 10 JEEE CC(C)CCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ncnn1C(C)(C)C 1741517577 IEJCUPVQPFCCNH-KRWDZBQOSA-N 462.624 2.341 30 10 JEEE Cc1cccnc1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1742457934 BECRVVCRLOORGQ-UHFFFAOYSA-N 495.609 2.341 30 10 JEEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](N1CCOCC1)C(F)(F)F 1747729995 AKTDBBJBOASQGX-ROUUACIJSA-N 477.491 2.000 30 10 JEEE CN(CCn1c([C@H]2CCOC2)nnc1N1CCN(c2ccccc2C#N)CC1)CC(F)(F)F 1747953654 BZPJPZIUCUXBMX-SFHVURJKSA-N 463.508 2.474 30 10 JEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@]1(N(C)C)CCSC1 1748770730 DKABTOIZVUXSGX-OAQYLSRUSA-N 461.661 2.053 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H](CC)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1748803473 ZFNBDWWQEKPLMZ-ICSRJNTNSA-N 457.600 2.237 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC(=O)NC(C)C 1748962701 OXDWUNMRMTWGJJ-IBGZPJMESA-N 476.622 2.393 30 10 JEEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2C[C@H](N2CCOCC2)C(F)(F)F)CC1 1748999110 IYKDVWCZKXRDAE-NRFANRHFSA-N 492.546 2.184 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@H](c2cccc(F)c2)N(C)C)CC1 1749009196 GEAFBARNAAZPFC-RBBKRZOGSA-N 468.577 2.190 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccccc2OC)nnc1N1CCN(C(=O)NC)CC1 1749139413 FATXZKVPVDRJRK-PGRDOPGGSA-N 470.574 2.308 30 10 JEEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 1749268645 DWFHOVTYOAOVPL-CVEARBPZSA-N 458.028 2.311 30 10 JEEE C=C(Cl)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1749271437 VJHPCYDFSIHTBF-DLBZAZTESA-N 496.012 2.379 30 10 JEEE C=CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2cncc3nc(C)nn23)CC1 1749408934 NTAKWQFDWDGZEP-UHFFFAOYSA-N 466.594 2.235 30 10 JEEE C=CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1749411635 BUBOIYMOBAOYHK-SFHVURJKSA-N 485.976 2.300 30 10 JEEE C=CCCCn1c(N2CCN(C(=O)[C@H]3CCCN3C)CC2)nnc1[C@]1(OC(C)C)CCOC1 1749440001 OXLYWYHPCNRDEX-YKSBVNFPSA-N 460.623 2.028 30 10 JEEE C=CCN(CCOC)c1nnc(-c2ccc(Br)s2)n1CCN1CCCS1(=O)=O 1749592666 SYJUETKDGZXKIV-UHFFFAOYSA-N 490.449 2.443 30 10 JEEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@H](CN2CCOCC2)C1 1749653112 WGEKGMLJHIZHEY-IFMALSPDSA-N 452.603 2.281 30 10 JEEE CC(C)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2([S@](C)=O)CC2)CC1 1750846052 BIZDEKUZKFVHDH-YTTGMZPUSA-N 456.616 2.418 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CCCN1CCCC1 1750962384 GYERMLPVOLYHIQ-UHFFFAOYSA-N 478.645 2.486 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H](N1CCOCC1)C(F)(F)F 1760106798 HCYMMTAGZSMMHJ-RDTXWAMCSA-N 451.449 2.395 30 10 JEEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1760132994 UFJKJBMONHKMCT-SFHVURJKSA-N 488.614 2.276 30 10 JEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccc(Cl)nc2C1 1760138132 RSDBYOUGXPAAQG-SFHVURJKSA-N 479.006 2.026 30 10 JEEE C#CCN(c1nnc([C@@H]2COc3ccccc3O2)n1CCCOC(F)F)[C@@H]1CCS(=O)(=O)C1 1760186651 PVKJYHRDRWIJOE-QAPCUYQASA-N 482.509 2.047 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H](c1cccc(F)c1)N(C)C)[C@H]1CCS(=O)(=O)C1 1760192079 DNITZZPNMRTOLR-PWRODBHTSA-N 475.590 2.198 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCc2cc(OC)ccc21 1760206375 XZBOURAHSAUOQW-PMACEKPBSA-N 452.580 2.382 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CC1(O)CCS(=O)(=O)CC1 1760209416 CFTJDTAGQYSTKM-OAQYLSRUSA-N 484.622 2.438 30 10 JEEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(OC)nc1 1760235342 KKBQPFMAYPILIN-GOSISDBHSA-N 456.547 2.498 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)(C)C)n2CCS(=O)(=O)C(C)(C)C)n1 1760251457 AXQDGAKILFRAEH-UHFFFAOYSA-N 464.636 2.272 30 10 JEEE C#CCSCCn1c([C@H](C)CC)nnc1N1CCN(c2cc(N3CCOCC3)ncn2)CC1 1760274325 INXGFHPOBUVYIK-LJQANCHMSA-N 470.647 2.111 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cnc(C)s1 1760315469 FSFSHFGSOUAHLG-KMFMINBZSA-N 454.622 2.271 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](OCC)C1 1760412645 PBVZHOFFTTXOJQ-MSOLQXFVSA-N 455.625 2.219 30 10 JEEE C=CCCCCn1c(N2CCC([C@H]3NC(=O)N(C)C3=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1760430521 LZZSGXULFFYIKN-NTKDMRAZSA-N 474.606 2.442 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCS[C@H](C(C)C)C1 1760520956 FQIBMXORBCNEBX-SFHVURJKSA-N 467.599 2.072 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2Cc2ccc(C(N)=O)nc2)C1 1760537208 LNHOEYBTFRYWRH-SFHVURJKSA-N 464.526 2.286 30 10 JEEE C=CCS(=O)(=O)CCn1c(CSc2ccc(C)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1760558470 PSGANIDCAXBWEY-PKOBYXMFSA-N 475.640 2.194 30 10 JEEE CC(C)CN1CCO[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(CC(N)=O)CC2)C1 1761131069 BSHNRKOVYSDBNT-HSZRJFAPSA-N 495.628 2.177 30 10 JEEE CCN(CC)CCCn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1765005608 IFKTZTFNIDAEET-UHFFFAOYSA-N 478.645 2.440 30 10 JEEE CN1CC[C@](O)(Cn2c(COc3ccc(Br)cc3)nnc2N2CCC(C#N)CC2)C1 1767514660 AJGGUVXXWZKFOM-OAQYLSRUSA-N 475.391 2.426 30 10 JEEE COc1ccc(C(C)(C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)cc1 1768422457 DXNVSPCYHPYDBH-BTYIYWSLSA-N 464.567 2.317 30 10 JEEE COCCC1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H](CNS(C)(=O)=O)C2)CC1 1769581651 DCBVUYGXPFOZIW-LJQANCHMSA-N 472.615 2.399 30 10 JEEE C=CCNC1=C(c2ccc(OCCC)cc2)C(=O)N(Cc2ccc(S(N)(=O)=O)cc2)C1=O 1863681187 QQNVSMQNNBSPGW-UHFFFAOYSA-N 455.536 2.179 30 10 JEEE CSCC[C@H](NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(=O)N1CCOCC1 1868782150 DSQCNMGVBGFRBE-ZWKOTPCHSA-N 450.630 2.121 30 10 JEEE C=CCN=c1nc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)[nH]c(=Nc2cccc(C)c2)[nH]1 1871651187 NVXFFWITZYZDIL-UHFFFAOYSA-N 459.554 2.416 30 10 JEEE C=CCN(CC=C)c1nc(=NCc2ccc(S(N)(=O)=O)cc2)nc(Nc2ccc(O)cc2)[nH]1 1871719854 LYXFWRGEMULIKI-UHFFFAOYSA-N 467.555 2.181 30 10 JEEE COc1ccc(OCCNC(=O)c2nonc2OCC(=O)Nc2sc3c(c2C#N)CCC3)cc1 1872707474 TUJRLXIYHSKOAT-UHFFFAOYSA-N 483.506 2.326 30 10 JEEE C=CCNC(=O)C1CCN(C(=O)[C@@H]2CC(=O)N(C[C@H](c3ccccc3)N3CCCC3)C2)CC1 1872941461 NJGVDXFJVUYDEM-DHIUTWEWSA-N 452.599 2.213 30 10 JEEE CC(=O)NCc1nnc(SCC(=O)Nc2ccc(F)cc2)n1/N=C/c1ccc(O)c(O)c1 1874431074 CKANTCCOBSAJFQ-NUGSKGIGSA-N 458.475 2.078 30 10 JEEE N#Cc1ccnc(OC[C@@H]2CCCN(S(=O)(=O)c3ccc(N4C(=O)CCC4=O)cc3)C2)c1 1891675216 UQSVWMQCMFOWKH-QGZVFWFLSA-N 454.508 2.086 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@H]1CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2247952929 QINIJYKEHTXFNA-JSGCOSHPSA-N 458.411 2.239 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2255751505 BOTARFKMASVTSY-INIZCTEOSA-N 452.382 2.274 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C1)[C@@H]2NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2255753245 OOZZNQJGKCVXQT-MIFYACCESA-N 470.422 2.191 30 10 JEEE CON(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2255834351 GIJFSOJTZBYWPA-ZDUSSCGKSA-N 453.370 2.455 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@](C)(CNC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)C1 2267168478 CYYPZVZYJMVHFQ-OAQYLSRUSA-N 467.397 2.198 30 10 JEEE CC(C)(C)OC(=O)NCC1(NC(=O)c2occc2B2OC(C)(C)C(C)(C)O2)CCOCC1 2267178840 HYFZVJCSIAZXRA-UHFFFAOYSA-N 450.341 2.383 30 10 JEEE CO[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2267241185 KLNGFHMBPGXFTC-CABCVRRESA-N 467.397 2.197 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@H]1CN(C(=O)OCc2ccccc2)CCO1 2267595335 DTTHUSKIRGNDIR-FQEVSTJZSA-N 483.374 2.092 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)CC[C@H]1C(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)cs1 2268717713 MKMIOMFZRFXHGQ-WBVHZDCISA-N 466.409 2.424 30 10 JEEE CC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1c(C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282005053 NORJRXIZMVOHJR-INIZCTEOSA-N 462.400 2.499 30 10 JEEE Cc1cc(S(=O)(=O)N2CCC(CNC(=O)C(F)(F)F)CC2)sc1B1OC(C)(C)C(C)(C)O1 2282322465 MJKFNIGDPPOEAN-UHFFFAOYSA-N 496.382 2.435 30 10 JEEE C[C@H]1CCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)C[C@@H]1CNC(=O)OC(C)(C)C 2282534201 ROOLOMZZHHJDKR-HOTGVXAUSA-N 462.400 2.342 30 10 JEEE C[C@H]1CCN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C[C@@H]1NC(=O)C(F)(F)F 2282536105 YDQKPQUGPJLJPT-FZMZJTMJSA-N 459.249 2.049 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@]2(C)CN(C(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)C[C@]2(C)C1 2282581737 LYYVBYLSIGFYAX-DHIUTWEWSA-N 460.384 2.428 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](NC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)CCO1 2282665151 MDZPMXBMORPGFN-HZPDHXFCSA-N 461.368 2.183 30 10 JEEE COc1ccc(S(=O)(=O)N[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2282881991 FTPOMWXTFWWUMC-GASCZTMLSA-N 482.408 2.328 30 10 JEEE CC(C)(C)OC(=O)N1CCC(O)(CC(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)CC1 2283977961 WUEQQVNSUYGTEG-UHFFFAOYSA-N 481.424 2.211 30 10 JEEE COC(C)(C)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)c(C)n1 2283986735 SPPOAHJZRVQGFS-OAHLLOKOSA-N 464.372 2.341 30 10 JEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CC(=O)N2CCC(=CB3OC(C)(C)C(C)(C)O3)C2)C1 2283988725 ZVYSCXZGGROLST-KRWDZBQOSA-N 484.424 2.201 30 10 JEEE COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1NC(=O)[C@H](NC(=O)OC(C)(C)C)C1COC1 2284017037 JLKFQRPZMUQSMR-GOSISDBHSA-N 462.352 2.473 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N1CCc2c(cccc2B2OC(C)(C)C(C)(C)O2)C1 2284054808 JMCKPGIROOCUKW-IBGZPJMESA-N 460.380 2.146 30 10 JEEE C[C@H](OCc1ccccc1)[C@@H](NS(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284411710 NQTIHHQCNASXDU-OXJNMPFZSA-N 475.372 2.323 30 10 JEEE COc1ccc(C(O)=C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccc(OC)c2OC)cc1 2295982172 WBQZIPOYIAATRJ-QFIPXVFZSA-N 482.533 2.466 30 10 JEEE Cc1nc2ccccn2c1C(O)=C1C(=O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1cccnc1 2296925622 QHJJTRYDEJDSKP-JOCHJYFZSA-N 461.522 2.182 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC2(CC2)C1 2362343718 JPXMHBXVNWLUME-HNNXBMFYSA-N 460.384 2.239 30 10 JEEE COc1ccc(OC)c(S(=O)(=O)/N=C(\N)N2CCN(c3cc(Cl)ccc3C)CC2)c1 13366825 MOHJAPHYWCRMOB-UHFFFAOYSA-N 452.964 2.491 30 10 JEEE COc1ccc(/C=N/Nc2nnc(SCCC(=O)Nc3ccc(S(N)(=O)=O)cc3)[nH]2)cc1 20832311 BIGQELVQUTVWOY-CIAFOILYSA-N 475.556 2.028 30 10 JEEE COC(=O)c1ccc(/C=N/Nc2nnc(SCCC(=O)Nc3ccc4c(c3)OCO4)n2N)cc1 20914149 BAHLEVRMVBJRFF-FOKLQQMPSA-N 483.510 2.074 30 10 JEEE Cc1c(C(=O)NCCCN2CCOCC2)oc2c1/C(=N/NS(=O)(=O)c1ccccc1)CCC2 40814968 NAHHEWKFOMQAAA-NCELDCMTSA-N 474.583 2.059 30 10 JEEE O=C(CSc1n[nH]c(N/N=C/c2cc([N+](=O)[O-])ccc2O)n1)Nc1ccc2c(c1)OCO2 58997325 GTNPJEIQLXACMJ-FBCYGCLPSA-N 457.428 2.324 30 10 JEEE C=CCn1c(=O)c2ccc(C(=O)NC(C)C)cc2n2c(=O)n(CC(=O)Nc3ccccc3C)nc12 64581520 ZGZCTUSADPIIND-UHFFFAOYSA-N 474.521 2.082 30 10 JEEE COc1ccccc1[C@H]1c2c(nc(NCc3ccc4c(c3)OCCO4)[nH]c2=O)NC(=O)[C@@H]1C#N 72472415 SSKYCVIDFXHJDR-DNVCBOLYSA-N 459.462 2.386 30 10 JEEE C=CCn1c(CNC(=O)c2ccc(OC)cc2)nnc1SCC(=O)Nc1nnc(C)s1 101164143 FNDIXGIMIIQYSC-UHFFFAOYSA-N 459.557 2.293 30 10 JEEE C[C@H](ON=Cc1c(F)cccc1F)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 254524716 URTWVRPRYDWNOX-AWEZNQCLSA-N 453.467 2.363 30 10 JEEE CN(C)c1ccc(C=NNc2nc3c(c(=O)nc(O)n3C)n2Cc2ccc([N+](=O)[O-])cc2)cc1 254721692 HVENDNPZOUKWAC-UHFFFAOYSA-N 462.470 2.304 30 10 JEEE N#CCOc1ccc(C2=NO[C@@H]3[C@H]4C[C@@H]([C@H]23)[C@H]2C(=O)N(c3ccc5c(c3)OCO5)C(=O)[C@H]42)cc1 504474724 ZWSOCJIEOMTHPH-AVORJFLTSA-N 457.442 2.492 30 10 JEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2c(F)cccc2Cl)c(=O)n1-c1ccccc1C#N 604000116 OBAKCGCVFWWOFD-UHFFFAOYSA-N 464.909 2.368 30 10 JEEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)C1=NN(c2ccc(F)cc2)[C@@H](C(N)=O)C1 913199406 CKFBDDCNGOXNRM-MGPUTAFESA-N 481.484 2.133 30 10 JEEE COc1ccc(CNC(=O)CSc2n[nH]c(NN=Cc3ccc(O)cc3O)n2)cc1OC 1084499152 IKXDCVHEPUUFFC-UHFFFAOYSA-N 458.500 2.088 30 10 JEEE C#C[C@H](CC)NC(=O)C1CCN(c2ccc(S(=O)(=O)N(CC)CC)cc2[N+](=O)[O-])CC1 1129611264 WTMFJKATCKPTPM-QGZVFWFLSA-N 450.561 2.370 30 10 JEEE C=CC[C@@]1(C(=O)NCC2(N3CCOCC3)CCN(C)CC2)CCCN1C(=O)OC(C)(C)C 1129720739 QTDFVOFZRBYBIX-DEOSSOPVSA-N 450.624 2.245 30 10 JEEE N#CCc1ccc(OC[C@H](O)CN2CCC[C@H](S(=O)(=O)N3CCc4ccccc43)C2)cc1 1169078446 HLSMZWPIQIOEMI-GGAORHGYSA-N 455.580 2.349 30 10 JEEE CCN(C[C@@H](C)C#N)S(=O)(=O)N(CCNC(C)=O)Cc1ccc(Br)s1 1189549927 BWIRHVLLIAJKRZ-LBPRGKRZSA-N 451.412 2.175 30 10 JEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCS(=O)(=O)C3(CCCCC3)C2)cc1 1198243552 IEWBVXANWYAFGT-UHFFFAOYSA-N 455.602 2.458 30 10 JEEE C#CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1286324451 PWVIICUMKURWQQ-MSOLQXFVSA-N 481.619 2.013 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CCN1CCCC[C@H]1CC)[C@@H]1CCS(=O)(=O)C1 1286393177 PEVDMWDBZORHGI-FGZHOGPDSA-N 470.643 2.155 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)nc2)n1CCNS(=O)(=O)c1ccccc1 1286403433 JZAXEYBGORUNDS-UHFFFAOYSA-N 454.943 2.045 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(OCCC)c(OC)c2)n1CC(=O)N1CCOCC1 1286424924 QPEAWBKEVOGIGD-UHFFFAOYSA-N 465.554 2.064 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H](C)N(C)C2CC2)CC1 1286470281 WJRZPCSBXATEIB-GOSISDBHSA-N 470.021 2.099 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@H]2CCCCS2(=O)=O)CC1 1286474119 BCKAAZIAGWMRAV-HXUWFJFHSA-N 487.626 2.075 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3c[nH]c4ccccc34)n2C[C@H](COC)OC)CC1 1286490321 KQMLAZYMENONDS-GOSISDBHSA-N 450.543 2.054 30 10 JEEE C#CCSCCn1c(-c2cccc(Br)c2)nnc1N(C)CC(=O)N1CCOCC1 1286496943 LNSSWNMHLDUVLL-UHFFFAOYSA-N 478.416 2.369 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCCCO2)nnc1N1CCN([C@H](C)C(=O)NCCCOC)CC1 1286539543 ZJADHUVCDDCNNL-MSOLQXFVSA-N 499.454 2.092 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(Cc2cc(C)on2)CC1 1286587446 JJKXREGQWMXDBJ-UHFFFAOYSA-N 485.614 2.390 30 10 JEEE C=CC[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCCN(S(C)(=O)=O)CC1)c1ccccc1 1286677763 JFLKDCHBRWOGAN-OAQYLSRUSA-N 486.642 2.346 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1286779866 NTCIGKQFUXTLIF-YCRPNKLZSA-N 476.375 2.394 30 10 JEEE CC(C)N(C)CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2C#N)CC1 1287901405 AEGOIWRWOMZMLS-OAQYLSRUSA-N 485.658 2.109 30 10 JEEE CCN(c1nnc(-c2ccc(C#N)cc2)n1CCC(=O)NC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1295161215 AIZAMYOCVYIVSN-GOSISDBHSA-N 458.588 2.135 30 10 JEEE CCN(CC)C(=O)CN1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(OC)CCOC2)CC1 1295326839 CXXUBDFDTRGPNN-AREMUKBSSA-N 495.628 2.003 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ncccc1N(C)C 1300281843 DSSNYQKPOWGZJQ-KRWDZBQOSA-N 467.599 2.163 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1csc(C(C)(C)C)n1 1300311342 SHTUMWXMHPMPJR-DOTOQJQBSA-N 480.660 2.066 30 10 JEEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CCOC1CCCCCC1)[C@H]1CCS(=O)(=O)C1 1300483876 ORFLAHKBLAZZNY-GBXCKJPGSA-N 494.658 2.296 30 10 JEEE C#CCN(c1nnc([C@H](C)OCCOC)n1Cc1ccc2ncccc2c1)[C@H]1CCS(=O)(=O)C1 1300484999 SUHFYYNIVPRMKK-RXVVDRJESA-N 483.594 2.225 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1CCc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1300488549 SMZRETLZWOICST-LJQANCHMSA-N 453.568 2.162 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1cccc(Br)n1)[C@H]1CCS(=O)(=O)C1 1300495693 JOEDTEDCZQDADY-IRXDYDNUSA-N 494.415 2.352 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@]1(C)COCCO1 1300665799 OEKPQNNTOMOQGY-DVECYGJZSA-N 477.606 2.284 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CCCn2ccnc2C)CC1 1300688686 JBWTZRBMOOLMAI-UHFFFAOYSA-N 479.585 2.321 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCCCc2nc(C)cs2)CC1 1300711238 UIDKXULLAZTSDQ-UHFFFAOYSA-N 471.631 2.170 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2Cc2ccccc2N2CCOCC2)CC1 1300712359 PVDCHDCMIFURCC-UHFFFAOYSA-N 464.614 2.426 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC2(O)CC(OCC)C2)CC1 1300726365 KRCBJFGZWDZQGD-UHFFFAOYSA-N 486.016 2.418 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2Cc2ccc(N(C)C)c(F)c2)CC1 1300727117 WCENLHXKGHGSFN-UHFFFAOYSA-N 475.572 2.483 30 10 JEEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCOC[C@H](C2CCC2)C1 1300830603 HIGVSRZGUFVSEL-UKRRQHHQSA-N 462.414 2.050 30 10 JEEE C=CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(NC(=O)OC(C)(C)C)COC1 1301270987 NLSZAKYRUYWHPJ-QFIPXVFZSA-N 451.568 2.235 30 10 JEEE C=CCN(c1nnc(-c2cc(Br)cn2C)n1CC1(C(N)=O)CCOCC1)C1CC1 1301317724 ZUFAHHMJUPPTTE-UHFFFAOYSA-N 463.380 2.483 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCC(C(=O)NC)CC1 1301483933 YJQKYKWYNYUPTD-UHFFFAOYSA-N 479.354 2.111 30 10 JEEE COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CCN(C(=O)[C@H](CC#N)c2ccccc2)CC1 1356377669 GKCBDJVAYVONJT-GOSISDBHSA-N 459.524 2.213 30 10 JEEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCN(C)C(=O)OC(C)(C)C 1358948900 OJKLBAJJIOWTSG-UHFFFAOYSA-N 454.579 2.388 30 10 JEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCOc1ccccc1C(C)C)[C@H]1CCS(=O)(=O)C1 1358955549 OCUVYKGBVNBGIQ-FQEVSTJZSA-N 499.637 2.343 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1cnn(CC(C)C)c1C)[C@@H]1CCS(=O)(=O)C1 1358962188 LZTALRVMWPELRW-PZJWPPBQSA-N 474.631 2.008 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1CCOc1ncccc1F)[C@@H]1CCS(=O)(=O)C1 1358965979 FUWVNYBRQTVJRB-HXUWFJFHSA-N 483.569 2.303 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H]1CCCN(C(C)=O)C1 1358976995 ZFVBEYUYXNJVML-HXUWFJFHSA-N 471.565 2.006 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1c[nH]c2cccc(C)c12 1358985487 ZRHZVLHSJMWDCA-SFHVURJKSA-N 452.584 2.384 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCNC(=O)C2CC2)CC1 1359030510 XPOKHEHMBTZXMI-QGZVFWFLSA-N 456.978 2.353 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1359090226 XHGAEHQGZOZFKD-ZACQAIPSSA-N 484.523 2.000 30 10 JEEE C=CC[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC[C@H]1C)c1ccccc1 1359195489 NKJVIHWRGYFEIB-HMXCVIKNSA-N 475.615 2.196 30 10 JEEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](C(C)C)N1CCOCC1 1359238065 YAQPJUZGVUMVLE-LJQANCHMSA-N 461.636 2.217 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCN(CCOCC)CC1 1359293880 CGBWLLJNEDEBOK-UHFFFAOYSA-N 495.397 2.307 30 10 JEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 1359302836 VNNVESPACHTGHV-KRWDZBQOSA-N 484.582 2.007 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](c2nc(C)cs2)C1 1359327145 TTXLJVOTVWTHOP-MRXNPFEDSA-N 466.633 2.166 30 10 JEEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN1C(=O)OC(C)(C)C 1360475997 GOHKXNGLELUCAN-IXDOHACOSA-N 466.608 2.318 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2CCNC(=O)c2ccco2)c1 1507551783 HGJQXKIYSMRDLM-UHFFFAOYSA-N 483.532 2.343 30 10 JEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1507556256 GKLIOUPHNXCLEX-YLJYHZDGSA-N 456.572 2.141 30 10 JEEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1507581973 BATIXNFGVJEKOW-GOSISDBHSA-N 471.631 2.394 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@H](c1ccco1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1507629529 NDYYHTUFJXMONM-UYAOXDASSA-N 483.594 2.476 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCN(C)Cc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1507631742 SRVVPIZPHDIEAB-FQEVSTJZSA-N 470.574 2.171 30 10 JEEE C#CCSCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC(NC(C)=O)CC1 1507744550 NCOTWVWPPCRYEX-UHFFFAOYSA-N 473.599 2.442 30 10 JEEE C#CCSCCn1c(-c2cccc(Br)c2)nnc1N1CCN(CC(=O)NCC)CC1 1507744966 QVUMMPMWPBZVNJ-UHFFFAOYSA-N 491.459 2.332 30 10 JEEE C=C(Br)Cn1c(N2CC[C@@](C)(C(=O)NC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1507791850 AUWYPUNGETZUKZ-RTBURBONSA-N 456.385 2.190 30 10 JEEE C=C(C)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1507828662 LTZIAWVLDNYREC-HXUWFJFHSA-N 461.588 2.161 30 10 JEEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCOC[C@@H](C2CCC2)C1 1508143469 LDGCSHHKRUCRSV-SFHVURJKSA-N 493.655 2.123 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1508144317 PLHLSRGEBZZXCS-HSZRJFAPSA-N 488.589 2.094 30 10 JEEE Cc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCNC(=O)c2cccs2)cc1 1511005159 BYRIIGQCFZFRAH-SFHVURJKSA-N 452.540 2.386 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)CC)n2C[C@@H]2CCN(S(C)(=O)=O)C2)c1 1539037570 HFKSVLZDSWBYIK-PKOBYXMFSA-N 472.615 2.129 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CCC2CCN(CC)CC2)c1 1539042203 CQZPJRULUXFHAY-JOCHJYFZSA-N 477.613 2.407 30 10 JEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 1539094435 PTPZDVKOMNFTNZ-MRXNPFEDSA-N 476.559 2.258 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CC(C)(C)OC)[C@@H]1CCS(=O)(=O)C1 1539218808 DMFIICLQAMCGJH-OAHLLOKOSA-N 452.527 2.199 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCN(CCC)C1 1539315427 MJSPAECJBDYPOB-FQEVSTJZSA-N 457.582 2.387 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1CC1(O)CC(OCC)C1 1539392708 VFCFMPAJWCZVNI-UHFFFAOYSA-N 455.534 2.109 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC[S@](=O)CC)CC1 1539468758 IJBGDLDNZUIZSD-UGAOPGRHSA-N 475.590 2.292 30 10 JEEE C#CCSCCn1c(N2CCC[C@@H](NC(=O)OCC)C2)nnc1[C@]1(OC(C)C)CCOC1 1539531759 ZIMDSGFJGOMMJT-GCJKJVERSA-N 465.620 2.400 30 10 JEEE C=C(C)Cn1c(COc2ccc(C)cc2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1539715972 MFOMQRFCKDENKJ-UHFFFAOYSA-N 485.614 2.294 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1OCC[C@H]1C 1540146309 CQINVGXDLKNANV-QRQLOZEOSA-N 481.644 2.290 30 10 JEEE C=C(C)COCCNC(=O)c1cc(Br)cn(CCNC(=O)OC(C)(C)C)c1=O 1545654620 VQCIZJQMWNGBFR-UHFFFAOYSA-N 458.353 2.458 30 10 JEEE CCN1CCC[C@@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)[C@H](C)CC#N 1547671998 BYZWTOYIRMBLME-IEBWSBKVSA-N 459.620 2.418 30 10 JEEE CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(NC(C)=O)nc1 1548299446 GKXMDNDEEKZPJN-MRXNPFEDSA-N 481.582 2.478 30 10 JEEE CN(C)C(=O)[C@@H]1CC2(CCN(S(=O)(=O)N(C)C)CC2)CN1c1ccc(C#N)c(C(F)(F)F)c1 1548382005 RYSXLYUODRJVNT-SFHVURJKSA-N 487.548 2.133 30 10 JEEE N#Cc1cccc(-c2cnc(CNS(=O)(=O)c3ccc(OCC(=O)NC4CC4)cc3)[nH]2)c1 1561414599 BMDCYRGOLDTPBE-UHFFFAOYSA-N 451.508 2.084 30 10 JEEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCNC(=O)c1occc1C 1587932594 WKUBDJKFPOLEGZ-UHFFFAOYSA-N 455.540 2.140 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCc1ccn(C)n1)[C@H]1CCS(=O)(=O)C1 1588030408 UPXOSOLFNLKVEE-PXNSSMCTSA-N 486.573 2.160 30 10 JEEE C#CCN(c1nnc(CC2CCCC2)n1CC1(SC)CCN(C)CC1)[C@@H]1CCS(=O)(=O)C1 1588065432 YMUKIWVYQQPBHC-HXUWFJFHSA-N 479.716 2.465 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2ccccc2C)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1588148949 BVDCRPGUVJNHHN-DHIUTWEWSA-N 465.623 2.454 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 1588157767 HDGZEOJJNCZSOE-RBUKOAKNSA-N 476.599 2.475 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2CCO[C@H]2C(C)C)CC1 1588762876 OTYQHBMUXZXPSR-IRLDBZIGSA-N 471.627 2.165 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2Cc2ccc(OCCN(C)C)cc2)CC1 1588884509 CTXJFGMUKTVJJI-UHFFFAOYSA-N 452.603 2.356 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2(OC)CCCCC2)CC1 1588884975 QFGSWGNOSKEANW-UHFFFAOYSA-N 479.585 2.241 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](CC)c3ccccc3)n2Cc2ccc(C(N)=O)nc2)CC1 1588890753 FPSYPSIKEGDEKE-QFIPXVFZSA-N 485.592 2.328 30 10 JEEE C#CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1588994443 WGGJCZUDWLXQCU-GOEBONIOSA-N 477.432 2.470 30 10 JEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1593691432 VYQISCAMZWTRSD-UHFFFAOYSA-N 473.666 2.102 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(C)(C)OC[C@@H]1C 1594497828 MUVQNOAJCSIMBT-DLBZAZTESA-N 455.625 2.217 30 10 JEEE C=CCCOCCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1594830305 VUKZTIBOMKAOLK-IHFIDZABSA-N 450.580 2.369 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CCCC1 1595134239 WOFSWJVJTWZSHP-HXUWFJFHSA-N 493.605 2.248 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](C)CNC(=O)OC(C)(C)C)C1 1595720623 AEHFJYVEXTZGLM-OKZBNKHCSA-N 483.635 2.122 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl 1595784967 PEHWLNIPDAUOEC-WMLDXEAASA-N 459.403 2.300 30 10 JEEE C#CCOc1cc(F)ccc1NC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 1667562839 CDUQFJGXWXQRHX-GOSISDBHSA-N 454.506 2.255 30 10 JEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2c(ncn2-c2ccc(C)cc2)C1 1689913903 XLYXUHDYKIZGJQ-GOSISDBHSA-N 467.599 2.359 30 10 JEEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(CCC(N)=O)CC1 1689931918 LVPOJAKOIJQLLY-LJQANCHMSA-N 474.606 2.482 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1C[C@](C)(O)c1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 1689994074 QPORHXKNOFGIBD-KNQAVFIVSA-N 463.003 2.418 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2c(F)cccc2F)n1CCCN1CCC[C@H]1C(=O)N(C)C 1690021301 OWAMPSLHRHZZRG-QFIPXVFZSA-N 468.552 2.163 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC[C@H](O)C2)CC1 1690152795 XUAMYZOMVWWXDG-UNMCSNQZSA-N 476.581 2.246 30 10 JEEE C=C(Br)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC(=O)N(C)C[C@@H]1C 1690229070 MVSREWXRUIEYDH-GJZGRUSLSA-N 499.410 2.162 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1690243148 HQNLRGWXRHGVJS-HOJAQTOUSA-N 487.605 2.390 30 10 JEEE C=C(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1690284670 QDSAMPCHQRYSCH-ZWKOTPCHSA-N 489.646 2.182 30 10 JEEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1690511083 OYPGHPNZNFJRHC-UHFFFAOYSA-N 465.480 2.365 30 10 JEEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](CN2CCOCC2)C1 1690644633 YFEIUSYHBQFGTF-WOJBJXKFSA-N 476.622 2.321 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](C)C1 1690723873 CHPNOGFGIIHDQV-QZTJIDSGSA-N 483.635 2.424 30 10 JEEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2ccc(Cl)nc2C1 1690734149 WWBJPMYWCMIPJM-CYBMUJFWSA-N 457.025 2.419 30 10 JEEE CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](N2CCCC2)C1 1695503558 BMYPKBBPTBEHLC-HXUWFJFHSA-N 451.575 2.272 30 10 JEEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)NCc2ccc(F)cc2)CC1 1705533947 VEEOQXRTZBTINS-HXUWFJFHSA-N 452.534 2.315 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCN(CC)C1 1705597649 MYEOPSFAEJZMDN-LEWJYISDSA-N 470.618 2.391 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnccn2)n1CC1(CS(C)(=O)=O)CC1 1705625453 KYKJXWJWKVYUGT-UHFFFAOYSA-N 454.531 2.339 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1C[C@H](c1cccc(C)c1)N1CCOCC1 1705626285 PNQXVJHYJSKBSR-HSZRJFAPSA-N 463.586 2.147 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(-c2ccsc2)nc1 1705628810 PXGZHHHUYARZSX-IBGZPJMESA-N 471.608 2.438 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@@H]2CCC[C@H](O)C2)CC1 1705633962 DFVZTTDHVYYZMM-QUCCMNQESA-N 469.586 2.277 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccccc3Br)n2C[C@H](C)CN2CCOCC2)CC1 1705637205 NEOIEXYKRYCKBV-LJQANCHMSA-N 487.446 2.431 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CCOc2ncccc2Cl)CC1 1705650147 LZNKOOPWYVQVOH-UHFFFAOYSA-N 479.972 2.357 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2Cc2ccn(C)n2)CC1 1705651383 VERCRSGBGWQBRN-UHFFFAOYSA-N 461.570 2.222 30 10 JEEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)O[C@H](c2ccccc2)C1 1705731390 VAOMEQQDJVSRGG-HBFSDRIKSA-N 463.604 2.447 30 10 JEEE C=CCCCn1c(N2CCN(c3nc(C)cc(OC)n3)CC2)nnc1[C@@]1(OCC)CCOC1 1705824219 JPSLQRGFJVFRKU-HSZRJFAPSA-N 457.579 2.330 30 10 JEEE Cc1cc(C)n(Cc2nnc(N(C)C[C@@H](C)C#N)n2Cc2ccc(CS(C)(=O)=O)cc2)n1 1707813925 BYVMKDXUGPFGCA-INIZCTEOSA-N 455.588 2.329 30 10 JEEE CC[C@H](C)[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1708356556 AMRKFTZTTRIEOD-NBCNXNJRSA-N 461.588 2.149 30 10 JEEE CCN(C)C(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1709906893 GRMHTPZUVRCFAH-UHFFFAOYSA-N 462.533 2.080 30 10 JEEE CCOc1c(Cl)cc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)cc1OC 1710495656 BCEPYUDXGUKXPR-ZBFHGGJFSA-N 460.922 2.067 30 10 JEEE CN(CCc1nccs1)c1nnc(COc2ccc(C#N)cc2)n1CCC(=O)N1CCOCC1 1711184685 BRTFNNPYVJZGSV-UHFFFAOYSA-N 481.582 2.113 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccc(C(F)(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 1722360246 FOWFPGYLBRKGDI-GOSISDBHSA-N 478.500 2.372 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H]1N(C)CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1722362037 RGFWMXPJYWKXJW-WOJBJXKFSA-N 456.616 2.087 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1ccc(NC(N)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1722365062 BXYQRGIQLOYKRE-GOSISDBHSA-N 458.588 2.032 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccc(-n2cncn2)nc1 1722376071 KARRMJKSXNDSFJ-UHFFFAOYSA-N 462.315 2.133 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1([S@@](C)=O)CC1 1722426403 BGSYESXVKOOHBF-UJQZNKFNSA-N 465.620 2.347 30 10 JEEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1722454753 HQSVWONAFXFUDE-UHFFFAOYSA-N 450.616 2.379 30 10 JEEE C=CCC(C)(C)Cn1c(N2CCC(NS(C)(=O)=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1722593542 VLTNFZAPISDUIY-QFIPXVFZSA-N 469.652 2.439 30 10 JEEE C=CCN(CC=C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H]1CCCN1S(C)(=O)=O 1722666782 SRCSZDQDSZHBER-GOSISDBHSA-N 459.572 2.319 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@]1(N(C)C)CCSC1 1740537232 BSKUPAPVHKRLBQ-KSFYIVLOSA-N 475.688 2.442 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@H](C)CN1CCOCC1 1740550581 QQYRJUABSQKEMM-WOJBJXKFSA-N 477.613 2.491 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H](C)Oc1ccccc1F)[C@H]1CCS(=O)(=O)C1 1740624234 FAZAIFJTWXRLPZ-QUCCMNQESA-N 483.569 2.497 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1CCC(=O)N1CCCCCC1)[C@H]1CCS(=O)(=O)C1 1740624497 JGMHMALSQDKFHA-QHCPKHFHSA-N 497.665 2.483 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1740630505 KFQJEKQNSNUOCA-HXUWFJFHSA-N 477.487 2.298 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCN1CCOC[C@H]1C 1740684943 GJPMDNVOJULLIH-RTWAWAEBSA-N 490.649 2.199 30 10 JEEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CCc2ccc(OC)c(OC)c2OC)CC1 1740698626 ZBHRGEZAWANQEM-UHFFFAOYSA-N 476.581 2.288 30 10 JEEE C#CCN1CCN(c2nnc(CSc3ccccc3OC)n2CCCC(=O)N(C)C)CC1 1740700561 WDVGIHAGBYLJJG-UHFFFAOYSA-N 456.616 2.203 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCC[C@@H]1NC(=O)NC1=O 1740735656 YBSZVBVHKUPZBK-WOGXIUBCSA-N 485.589 2.330 30 10 JEEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 1740739633 WYJIYODPWQNXPL-LBPRGKRZSA-N 485.364 2.268 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(OCC(N)=O)CC1 1740763980 SKURMJZGVPWHQT-CYFREDJKSA-N 480.569 2.181 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@H](C)[C@@H](OC)C1 1740953476 HHICMCPNGWCJHY-KXBFYZLASA-N 459.547 2.134 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCN(C(=O)OCC)CC2)cc1 1740967109 XARRYEHLWKDYJP-IBGZPJMESA-N 454.531 2.121 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCCN(c2nccs2)CC1 1740990925 JUEAZPGERHAXNU-QGZVFWFLSA-N 466.633 2.294 30 10 JEEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1 1740993769 IHWRWRJYMRYALL-UHFFFAOYSA-N 482.006 2.031 30 10 JEEE Cc1ccc(OCc2nnc(N3CCC(C#N)CC3)n2CCC(=O)N2CCOCC2)cc1C 1742269388 BTEOKMXBOJWQRU-UHFFFAOYSA-N 452.559 2.463 30 10 JEEE CCc1cnc(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)s1 1744431302 BUEJLYGUFVILTQ-MRXNPFEDSA-N 472.596 2.419 30 10 JEEE CO[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1)C1CC1 1748423754 GXIWNQMZVZQSGF-HXUWFJFHSA-N 458.588 2.102 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCCc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1748803520 ZVYTYLKHUDQQBZ-LJQANCHMSA-N 496.568 2.324 30 10 JEEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1CCC1(O)CCOCC1)[C@H]1CCS(=O)(=O)C1 1748804030 CJGPUOPQHYEAQK-FCHUYYIVSA-N 486.638 2.378 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1Cc1c(CC)nn(C)c1OC 1748945727 YKWUPERNHQQNHV-HXUWFJFHSA-N 465.533 2.361 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccccc2CN2CCCCC2)CC1 1748971583 WAGOBVBVPUJBFQ-UHFFFAOYSA-N 463.630 2.206 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1749175561 IRLPDXGRHOEDCC-IEBWSBKVSA-N 475.615 2.292 30 10 JEEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1749213202 HDEAFMZFYLTLNA-AWEZNQCLSA-N 458.382 2.252 30 10 JEEE C=CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(CC(=O)N(C)C)CC1 1749403008 USUKWYAOMJGXHX-UHFFFAOYSA-N 481.649 2.019 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(c2cc(C)nc(C(C)C)n2)CC1 1749668937 AVMWZDXUECMYPU-LJQANCHMSA-N 468.606 2.370 30 10 JEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 1749678034 SSWZMJFQTJHLAP-IBGZPJMESA-N 468.631 2.387 30 10 JEEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1749754929 STFIDMMKDYFQKK-GOSISDBHSA-N 458.563 2.250 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@]1(O)CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1760189511 PSSPVWQZGZREPH-WZONZLPQSA-N 457.600 2.216 30 10 JEEE C#CCN(CC#CC)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCCS1(=O)=O 1760223343 FAAQOBIMVUPCGM-OAQYLSRUSA-N 451.552 2.159 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(N(C)C)CCCCC1 1760245447 DWMPFCYXQYDQTF-UHFFFAOYSA-N 463.590 2.271 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2CCO[C@@H](C)C2)CC1 1760266766 LREMITJSJCQBAU-RBUKOAKNSA-N 499.637 2.130 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(=O)NC2CCCCC2)CC1 1760267304 YRHLDMUCEJISKB-UHFFFAOYSA-N 493.568 2.268 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCN(C)CCCC)CC1 1760269102 YITAQYKEYIMPBL-UHFFFAOYSA-N 490.612 2.292 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H]2CCO[C@@H](C)C2)CC1 1760271907 QQVWSCHUMGDEOE-WMZOPIPTSA-N 456.616 2.415 30 10 JEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ncc(CC)s1 1760440903 SSIYUWNZWGWDKA-INIZCTEOSA-N 454.622 2.233 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 1760552419 MZAMPPGIVNIRRV-QGZVFWFLSA-N 478.619 2.378 30 10 JEEE C=CCS(=O)(=O)CCn1c(CSc2ccc(C)cc2)nnc1N1CCO[C@@]2(CCOC2)C1 1760558472 PSZNXNHGTJPJKV-QFIPXVFZSA-N 478.640 2.475 30 10 JEEE CO[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC=C(c2ccc(C#N)cc2)CC1)C1CC1 1768076914 BYIAFHLMAVWJPT-IIBYNOLFSA-N 470.599 2.479 30 10 JEEE C=CCOc1ccccc1[C@H]1C(C(=O)N2CC(O)C2)=C(N)Oc2c1c(CC)nn2-c1ccccn1 1865224681 JFHXCWDLWHPECF-OAQYLSRUSA-N 473.533 2.292 30 10 JEEE N#Cc1c(NC(=O)Cn2cnc3c(nnn3Cc3ccc([N+](=O)[O-])cc3)c2=O)sc2c1CCC2 1870104294 QGHXWQODNFYYDI-UHFFFAOYSA-N 476.478 2.005 30 10 JEEE CC(C)N1C(=O)CS[C@H](C(=O)NC2CCN(C(=O)N(C)C)CC2)[C@H]1c1ccc(C#N)cc1 1890743838 UILGBPRLVLOWEM-RTWAWAEBSA-N 457.600 2.214 30 10 JEEE CC(=O)N1CCN(C(=O)c2ccc(C(=O)N3CCC[C@H](COc4cc(C#N)ccn4)C3)cc2)CC1 1891915141 PEYDGRISRNIKPF-NRFANRHFSA-N 475.549 2.189 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CCC(N)=O)C(=O)N1CC[C@H]2C[C@@]2(B2OC(C)(C)C(C)(C)O2)C1 2141243249 GCDURCWKFKOUBU-AYSMAOOMSA-N 451.373 2.230 30 10 JEEE CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[C@@H]2C[C@@]2(B2OC(C)(C)C(C)(C)O2)C1)C1CS(=O)(=O)C1 2197504476 IOIJZBHDWFYGOH-ZMPRRUGASA-N 484.424 2.009 30 10 JEEE CC(C)(C)OC(=O)N1CC([S@](C)(=O)=NC(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)C1 2255657675 SKHLCLFFJZWEDS-HKBQPEDESA-N 454.354 2.436 30 10 JEEE CC(C)(C)OC(=O)NCCCNS(=O)(=O)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2255793925 DURAYGALQRTNQB-UHFFFAOYSA-N 454.398 2.320 30 10 JEEE COC[C@H](ONC(=O)OC(C)(C)C)C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)s1 2256616389 BCQFAMSBYXKHEL-AWEZNQCLSA-N 456.370 2.135 30 10 JEEE C[C@@H]1C[C@@H](CC(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)CN1C(=O)OC(C)(C)C 2257829534 ANSRNOTZRABZNC-OLZOCXBDSA-N 452.386 2.233 30 10 JEEE CC(C)(C)OC(=O)NCCO[C@@H]1CCN(C(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2267163820 ZLGISJFNCODHME-CQSZACIVSA-N 467.397 2.198 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@H](NC(=O)c3ccsc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2267243846 BIUDYWXRTBACML-PMPSAXMXSA-N 464.393 2.411 30 10 JEEE C[C@@H]1C[C@@H](NC(=O)C(F)(F)F)CCN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2267722060 TUFZSTVEFNHXJX-YPMHNXCESA-N 482.355 2.267 30 10 JEEE Cc1csc(CNC(=O)CC2(O)CN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2268635704 UVPPUZJSRPVFLT-UHFFFAOYSA-N 466.409 2.344 30 10 JEEE C[C@@H](C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)C1CCN(C(=O)OC(C)(C)C)CC1 2268705657 JISLVTVNTRXZKE-CYBMUJFWSA-N 466.413 2.481 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H](CO)C(=O)Nc1ccc(F)c(F)c1B1OC(C)(C)C(C)(C)O1 2268711408 NJJKREIISDWWSC-LBPRGKRZSA-N 456.295 2.336 30 10 JEEE C[C@@H](C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)s1)N1CC(NC(=O)OC(C)(C)C)C1 2268716585 FTCVZMQPHXWOFG-AWEZNQCLSA-N 465.425 2.261 30 10 JEEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 2268786978 SRCVZTKUVIUBGP-QFIPXVFZSA-N 466.409 2.378 30 10 JEEE COC(=O)[C@H](CCNc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F)NC(=O)OC(C)(C)C 2268995026 ZPYBPELVFNHLOW-HNNXBMFYSA-N 453.320 2.388 30 10 JEEE Cn1ncc(C(=O)N(C2CCC2)C2CN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2281824704 MWCCGWVMLZZHRU-UHFFFAOYSA-N 460.384 2.333 30 10 JEEE Cc1cc(C(=O)N2CCO[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)oc1B1OC(C)(C)C(C)(C)O1 2281960935 GQTDFKUYDSVIDN-RDJZCZTQSA-N 462.352 2.348 30 10 JEEE CC(C)(C)OC(=O)NCCCN1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)CC1 2282608018 PFXGNMRLRDPPMA-UHFFFAOYSA-N 480.440 2.115 30 10 JEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCCCC[C@@H](NC(=O)OC(C)(C)C)C2)n1 2282621602 USNAIKLMPQXISS-OAHLLOKOSA-N 463.388 2.024 30 10 JEEE CC[C@@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)CC[C@@H]1NC(=O)OC(C)(C)C 2282627150 GQAZYPILHASNMP-CVEARBPZSA-N 462.400 2.485 30 10 JEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2282677858 DWLKUCCZIVWKSC-SJLPKXTDSA-N 461.368 2.135 30 10 JEEE CN(CC1CCN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)CC1)C(=O)OC(C)(C)C 2282706898 RVJVLUIDSGUCEB-UHFFFAOYSA-N 460.384 2.495 30 10 JEEE CN(C[C@@H](O)COCc1ccccc1)S(=O)(=O)Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2282875146 LGDFQAQDCMWVNA-JOCHJYFZSA-N 475.416 2.325 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@H]1C(=O)NCCc1ccccc1B1OC(C)(C)C(C)(C)O1 2283970198 LLJBZKZDOMMIER-IEBWSBKVSA-N 460.380 2.184 30 10 JEEE CC(C)(C)OC(=O)NCCn1cnc(C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)c1 2283987627 LQIRENLFVYZRJG-UHFFFAOYSA-N 477.396 2.094 30 10 JEEE C[C@H](NC(=O)CN1CC(CNC(=O)OC(C)(C)C)C1)c1nscc1B1OC(C)(C)C(C)(C)O1 2284064863 ZEAAHCCMFVTVOV-AWEZNQCLSA-N 480.440 2.076 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(C)CC2(O)CN(C(=O)OC(C)(C)C)C2)c1 2287302877 KCZPCRZMWBVYOE-UHFFFAOYSA-N 460.380 2.348 30 10 JEEE O=C(N[C@@H]1CCNC[C@H]1C(=O)C=Cc1ccc([N+](=O)[O-])cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 2328198347 VSUISZQAVPAPCJ-RTBURBONSA-N 469.410 2.402 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)C1(C)C 2362325218 BUVHFNJBZNKSKT-HUUCEWRRSA-N 462.400 2.389 30 10 JEEE Cc1cc(CNC(=O)[C@H]2C[C@H](O)CN2C(=O)OC(C)(C)C)cc(B2OC(C)(C)C(C)(C)O2)c1 2369678700 JAEWYMFGYWZWCC-RBUKOAKNSA-N 460.380 2.281 30 10 JEEE O=C(CSc1ncn(-c2ccccc2)n1)Nc1cccc(S(=O)(=O)/N=C2\CCCN2)c1 11476578 GLNDZIMSGATHMR-UHFFFAOYSA-N 456.553 2.469 30 10 JEEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(S(=O)(=O)Nc3cccc(C)c3C)cc2)CC1 33233800 QZOAZMCFZUBXRK-UHFFFAOYSA-N 470.595 2.164 30 10 JEEE Cc1cccc(NC(=O)CSc2nnc(N/N=C/c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2N)c1 253560421 ATRUNXNQTDSXKV-AWQFTUOYSA-N 471.459 2.294 30 10 JEEE CC(=O)OCC(=O)[C@]1(O)[C@H](C)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 254294295 ISSQQUKLQJHHOR-KFKBIGFNSA-N 452.494 2.415 30 10 JEEE O=C(O)CN1C(=O)/C(=C2\SC(=S)N(N=Cc3cc([N+](=O)[O-])ccc3O)C2=O)c2ccccc21 254875765 IRLQCQHMGXKKFO-YWRLRRMXSA-N 484.471 2.337 30 10 JEEE Cc1ccc(-c2ccncc2)cc1NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 523921963 KDHWEBMXLRPPGP-UHFFFAOYSA-N 489.557 2.400 30 10 JEEE COC(=O)c1ccc(N2C(=O)C(Sc3nc(C)cc(C)c3C#N)=C(N3CCN(C)CC3)C2=O)cc1 526694561 CAKOLPMRBKBDKQ-UHFFFAOYSA-N 491.573 2.481 30 10 JEEE C=CCSC1=NC(=O)C2=c3cc(Br)ccc3=N[C@@H](C(=O)c3ccccc3OC)N2N1 588226916 QQHOMHVWGRGKPA-LJQANCHMSA-N 485.363 2.030 30 10 JEEE COC(=O)C1=C(C(=O)c2cc(OC)ccc2OC)[C@@H](c2cnn3ccccc23)NC(=S)N1 729663594 VGYHBPXFWSFTKV-GOSISDBHSA-N 452.492 2.180 30 10 JEEE C#CC[C@H](O)CNC(=O)[C@@H](CCC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 757474000 GCRACTBGVCZDKP-KSFYIVLOSA-N 450.491 2.259 30 10 JEEE COc1ccc(C=NNc2nc(=Nc3ccccc3)nc(N3CCOCC3)[nH]2)cc1[N+](=O)[O-] 1084657393 FTHSHXVSQWYTFO-UHFFFAOYSA-N 450.459 2.237 30 10 JEEE C#C[C@H](NC(=O)c1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1)[C@H]1CCCO1 1154791753 FVHFLZISSIXMBE-FXAWDEMLSA-N 459.480 2.315 30 10 JEEE C#CC[C@@H](CO)NC(=O)c1cc(I)ccc1I 1160146425 ORGFYTSZAAHZOB-VIFPVBQESA-N 455.033 2.010 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1ccc(F)c(COC)c1)[C@@H]1CCS(=O)(=O)C1 1286387699 UISMOPIEKGQHJW-LJQANCHMSA-N 469.542 2.301 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCOC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1286392670 MPZPFONDPJSDJQ-KRWDZBQOSA-N 451.618 2.076 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCC1(O)CCOCC1 1286425937 CVMMNVAPAWNQGI-UHFFFAOYSA-N 488.592 2.460 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC[S@](=O)C(C)(C)C 1286462362 IOMWCJCHUNELPL-UMSFTDKQSA-N 484.626 2.308 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCS(C)(=O)=O)CC1 1286487477 FSOHNHWLSGCARQ-IBGZPJMESA-N 487.626 2.045 30 10 JEEE C=C(Br)Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1286543989 XGPZBVZEVIOYFO-SJLPKXTDSA-N 494.438 2.416 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1286559940 ZREDLFCNSAQOID-OTPAQWSUSA-N 481.645 2.282 30 10 JEEE C=C(C)CN(CC)c1nnc(C(=O)NC(C)C)n1CC(=O)N1CCN(c2ccccc2)CC1 1286562724 MGILSGDIOZKVBH-UHFFFAOYSA-N 453.591 2.168 30 10 JEEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 1286705685 CNBSRBGNXSIKJF-KRWDZBQOSA-N 459.551 2.191 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCSC1(C)C)C1CC1 1286736166 BOHOBHCNHDHOEE-WBVHZDCISA-N 455.650 2.298 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1286783018 CYKWKLDJRFTWST-SFHVURJKSA-N 454.575 2.245 30 10 JEEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCN(Cc2csc(C)n2)CC1 1286791301 XUQWWEQJIRBHFO-UHFFFAOYSA-N 465.627 2.453 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1C[C@H]1CCCN1Cc1ccccc1 1288773029 HWWKYMUMYDACIO-CMKODMSKSA-N 459.620 2.291 30 10 JEEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)C(C)(C)C)C[C@@]2(CCOC2)O1 1291278749 BIMODLGAAHGQHP-IQGLISFBSA-N 482.585 2.275 30 10 JEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(S(=O)(=O)c2ccccc2)CC1 1300364134 IASIDEYGPPZCOU-LJQANCHMSA-N 490.651 2.426 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCSc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1300478846 DAKVRMFIMCZORL-GOSISDBHSA-N 496.618 2.344 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCN1C[C@H](C)O[C@H](C)C1 1300532494 XDVYCRYRAKRTON-KDURUIRLSA-N 459.554 2.166 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1cccnc1OC 1300579893 ZQEZIQMBSDPYRM-UHFFFAOYSA-N 453.506 2.107 30 10 JEEE C#CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1(C)CCOCC1 1300656719 AMABIMWLZGFGTP-UHFFFAOYSA-N 474.631 2.449 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(OC)c(OCC)c2)CC1 1300725564 ILIGWWIRUDLTJE-FQEVSTJZSA-N 467.570 2.203 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H]2CC(F)(F)CO2)CC1 1300726319 KHMBROSAIGICDH-LJQANCHMSA-N 461.488 2.398 30 10 JEEE C=C(C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1300950561 GMOUOKMSFFGNIN-MSOLQXFVSA-N 482.651 2.487 30 10 JEEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)C(C)C)CC1 1300952580 YYDNUYVKOQMUMZ-GOSISDBHSA-N 462.595 2.467 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCOC1 1301342195 ZPNBQSVHQBQQKF-PXNSSMCTSA-N 458.588 2.379 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CCn1cccn1 1301500639 OFBVQEWUIHMHFL-SFHVURJKSA-N 472.594 2.028 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N(C)Cc1ccc(N2CCOCC2)cc1 1301578284 VQQLRAPJJNEHLQ-UHFFFAOYSA-N 484.626 2.357 30 10 JEEE C=CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1301612866 QHIQJGNEIFCAEA-GOSISDBHSA-N 456.620 2.332 30 10 JEEE COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1Br 1301808336 CFIBEIBNLVEWFD-MRXNPFEDSA-N 482.404 2.357 30 10 JEEE CC(C)(C)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1302202382 FHUQHTOTKTYPFH-LJQANCHMSA-N 471.631 2.019 30 10 JEEE CC(C)NC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1303452822 ABKJEMVLSNVEHN-GOSISDBHSA-N 468.558 2.028 30 10 JEEE C#CCN([C@H]1CCOc2ccc(Br)cc21)S(=O)(=O)N(CCC#N)CCOC 1309192239 ABGHMOGFVZFUBG-KRWDZBQOSA-N 456.362 2.315 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCN1CCN(C)C(C)(C)C1 1358876970 UOMBTVVUSYDXHX-GOSISDBHSA-N 470.618 2.455 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@H]1CC(F)(F)CO1)[C@@H]1CCS(=O)(=O)C1 1358959978 UAYKEIJIQBSJPS-HZPDHXFCSA-N 466.510 2.005 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2COc3ccccc3O2)n1CC1(OCCOC)CCOCC1 1358994117 FSKBMLZQOLQQGY-HSZRJFAPSA-N 480.565 2.466 30 10 JEEE C#CCN1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCCCOC(C)C)CC1 1359036223 QOUFWLAYLPEPSZ-UHFFFAOYSA-N 466.634 2.413 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2CCNC(=O)c2cccc(OC)c2)CC1 1359040803 GWNMUSORUCZDBG-GOSISDBHSA-N 466.586 2.196 30 10 JEEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1359089237 FFOPFCIKKOXHOK-ULQDDVLXSA-N 456.385 2.215 30 10 JEEE C=C(C)Cn1c(-c2cccc(OC)c2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1359118475 LEMOOUOFDLWXMD-FQEVSTJZSA-N 461.588 2.161 30 10 JEEE C=CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN(S(C)(=O)=O)CC1 1359215640 GNGWKLXVONHLMC-UHFFFAOYSA-N 482.651 2.440 30 10 JEEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1359287146 OSZGHUYYPCMVBE-UHFFFAOYSA-N 496.616 2.399 30 10 JEEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1359289163 GXDSIZOSSPIVNH-UHFFFAOYSA-N 455.544 2.151 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC(Oc2ncccc2F)CC1 1359336636 XHJFJFKJFRRWAT-GOSISDBHSA-N 465.551 2.312 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CC1CCN(CC(F)(F)F)CC1 1360677667 FREVRAGFEOJRMZ-OAHLLOKOSA-N 491.584 2.293 30 10 JEEE CC(=O)N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N 1435454084 FISQFPHFXZBJRP-XLIONFOSSA-N 457.506 2.326 30 10 JEEE CCN(CC)C(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2ccccn2)CC1 1501780175 GASYCZJEYOSHMV-UHFFFAOYSA-N 472.597 2.445 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCCOC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1507628128 NHIJTZNMKNBOHB-QGZVFWFLSA-N 467.473 2.370 30 10 JEEE C#CCN(c1nnc(C2CCCC2)n1CCCN1C[C@H](C)O[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1507632236 JZIMKTCFJQWNPU-ZJOUEHCJSA-N 463.648 2.062 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@]1(N(C)C)CCSC1 1507660975 JFDPQPNEXJGFQI-DEOSSOPVSA-N 499.710 2.447 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccnc2)n1CCS(=O)(=O)NC(C)C 1507699783 JKSUHTQSSSVUKT-UHFFFAOYSA-N 456.547 2.447 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C)s2)n1 1507717250 SRRDDHXCLIAUKG-IBGZPJMESA-N 453.572 2.130 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC2(CS(C)(=O)=O)CC2)CC1 1507721723 LLQYJROPGMYTCY-GOSISDBHSA-N 475.590 2.137 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@](C)(O)[C@H](C)CC)CC1 1507736687 RTXJDTRUXLQIEV-NGXZDTIWSA-N 475.634 2.082 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@]2(C)CN(C)C2=O)CC1 1507736904 UVNCRQZQCOJQIW-SSOJOUAXSA-N 482.560 2.001 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2Cc2cccnc2OCC)CC1 1507739286 DWLFUQZQVJFZHZ-UHFFFAOYSA-N 459.554 2.072 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1507792157 WZDZJSVWMSOEFY-UFYCRDLUSA-N 460.623 2.386 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1507796407 AFBNSGZJFRSFSA-NZQKXSOJSA-N 484.649 2.040 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)CCC1CC1 1507800914 ZMLDWAGENJTYHW-AABGKKOBSA-N 467.636 2.219 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](CN2CCCCC2)C1 1507806466 OZTSTQDIBBVNGA-BURNTYAHSA-N 480.679 2.182 30 10 JEEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1508095331 NLPBCZSRGVMLIS-CLOONOSVSA-N 469.586 2.148 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Br)c3)n2CC(=O)N2CCOCC2)C1 1508112690 BOUJZJBMCCWGIU-GOSISDBHSA-N 476.375 2.348 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCN2CCCS2(=O)=O)C1 1508128193 MYDAUCZLGPXQIZ-IPMKNSEASA-N 467.636 2.014 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Br)cc2)nnc1N1CCN(C(=O)OC)CC1 1508133344 HLAVZZJPCRUKOH-UHFFFAOYSA-N 498.403 2.197 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 1508144255 ONZZMCJKXOCNFK-HXUWFJFHSA-N 488.658 2.243 30 10 JEEE Cc1nc2ccccc2n1CCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H](C)CC#N 1511575357 CYEAOHAZPBJIBE-HOTGVXAUSA-N 458.592 2.375 30 10 JEEE CN(Cc1ccc(C#N)cc1)c1nnc(C(=O)N2CCCC2)n1CC(C)(C)N1CCOCC1 1517108755 IAICJKLDRWXJGI-UHFFFAOYSA-N 451.575 2.133 30 10 JEEE N#Cc1ccc(OCc2nnc(N3CCN(c4cccs4)CC3)n2CC(=O)NCC(F)F)cc1 1521101746 HWIFYEMOWMEAGK-UHFFFAOYSA-N 487.536 2.498 30 10 JEEE C#C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)c1ccc(F)cc1 1525018773 FMDWIAFVDJGAGF-FQEVSTJZSA-N 458.511 2.488 30 10 JEEE C#C[C@H](NC(=O)c1ccccc1S(=O)(=O)CCS(C)(=O)=O)c1ccc(Cl)cc1F 1528531749 MLLKMHOPRCWHMK-KRWDZBQOSA-N 457.932 2.402 30 10 JEEE C#CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1539097210 FXWZLFXZBDWPGN-NTKDMRAZSA-N 480.613 2.365 30 10 JEEE C#CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(C(=O)NCCCOC)CC1 1539117128 UFPJNXNNZLBGRX-UHFFFAOYSA-N 477.569 2.376 30 10 JEEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1539124425 GHEBRIAHDSVMHO-HKBOAZHASA-N 488.633 2.157 30 10 JEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1cccc(OCC(C)C)c1)[C@H]1CCS(=O)(=O)C1 1539201202 YLAYYRCQVLVODL-NRFANRHFSA-N 499.637 2.224 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)c(Br)c2)n1CC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1539211326 HQTISEVYWFMRES-INIZCTEOSA-N 481.416 2.414 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CC(c2ccccc2)C1 1539369975 QRHHJGYVEODUEU-MNLRITNHSA-N 457.600 2.264 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2Cc2ncn(C)n2)CC1 1539469991 WTKIJJYVDZKLDT-INIZCTEOSA-N 482.976 2.214 30 10 JEEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1539519900 KYXHXFTTYRALCF-NRFANRHFSA-N 451.600 2.349 30 10 JEEE C#CCSCCn1c(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)nnc1[C@]1(OCC)CCOC1 1539530336 FYVFTHVGPSNKCC-VGSWGCGISA-N 465.620 2.400 30 10 JEEE C#CCSCCn1c(N2CCC(Cn3ccnn3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1539530880 OIABZPMRNFWIFZ-QFIPXVFZSA-N 459.620 2.193 30 10 JEEE C=CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1540013017 HTUUFZPJVSLHKS-UHFFFAOYSA-N 465.606 2.486 30 10 JEEE C=CCCOCCn1c(-c2cc(Br)cn2C)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1540021750 YKMKHNHKLJFBBO-INIZCTEOSA-N 478.395 2.195 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCSC(F)(F)F 1540170295 MQGXFYZYRXFLCO-CYBMUJFWSA-N 455.528 2.042 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@]1(N(C)C)CCSC1 1540186576 DVJWZWOTKRDGCS-PGRDOPGGSA-N 479.672 2.446 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccn3C)n2CC[C@@H](C(F)F)N2CCOCC2)C1 1540888754 XRVJCVMNGAPVQI-MSOLQXFVSA-N 450.534 2.421 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1540900405 UPUKYZXKTTZIIR-IXFSTUDKSA-N 471.583 2.190 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 1540901750 NTDARNSYHYMPAI-SFHVURJKSA-N 462.551 2.296 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(CC)C1CC1 1540901994 XDSLAYDJYFRLFK-UHFFFAOYSA-N 456.572 2.264 30 10 JEEE CC(C)(C)c1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1CC(=O)N1CCOCC1 1541151678 AOVUGZNFQLCCKM-UHFFFAOYSA-N 452.559 2.354 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1CN1CCCC1=O 1541803081 CAFVACOKCZHCDR-FXAWDEMLSA-N 470.599 2.089 30 10 JEEE CCOC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)CN2CCOCC2)CC1 1547794780 FYEYFDLKNZAJGL-LJQANCHMSA-N 467.574 2.064 30 10 JEEE CCOCC(=O)N1C[C@@H](C(N)=O)[C@H](C2CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)C1 1548382369 XOBKVGDVHNPADB-ZWKOTPCHSA-N 452.477 2.390 30 10 JEEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1CCCN1C[C@H](C)O[C@H](C)C1 1554381201 AGKHMKSFUIFKMM-QRVBRYPASA-N 453.591 2.134 30 10 JEEE N#Cc1ccc(O[C@H]2CCN(C(=O)CCNS(=O)(=O)c3ccc4c(c3)CCCC4)C2)nc1 1569817840 DQHLYSZCPKTKJC-FQEVSTJZSA-N 454.552 2.180 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CCCO[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1588040093 ICCUTRAEFJYHBN-WOJBJXKFSA-N 479.002 2.421 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCN2CCCC2)CC1 1588884563 FIXYFSDYULDKBJ-UHFFFAOYSA-N 477.613 2.209 30 10 JEEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1589110006 NFJLYGNHOVQTET-NRFANRHFSA-N 466.611 2.254 30 10 JEEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](CN(CC)CC(F)(F)F)C1 1589708185 GDSKOZDKPVYXHT-CABCVRRESA-N 452.547 2.175 30 10 JEEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1589708842 XDDDRMGDUSXOCH-HNNXBMFYSA-N 463.995 2.316 30 10 JEEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCCN1CCC[C@H]1CO 1594962944 OERMTPCHASUWEU-PMACEKPBSA-N 478.638 2.446 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H]2CCCN2C[C@H]1C 1595765505 BLTBWCMXPHDBBA-GDBMZVCRSA-N 483.436 2.309 30 10 JEEE C#CCn1cc(CNC(=O)[C@@H](CCSC)NS(=O)(=O)c2ccc3ccccc3c2)cn1 1634631018 IKZPRWALJJWSNU-OAQYLSRUSA-N 456.593 2.386 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1cc(S(=O)(=O)N2CCN(CC)CC2)ccc1Cl 1635311563 YUUGAYMVVCSNGN-OXQOHEQNSA-N 456.008 2.377 30 10 JEEE Cc1ccc(C(=O)N2CCN(CC(=O)N3CCN([C@@H](C#N)c4cccs4)CC3)CC2)cc1 1657690780 ABQGTFUCVXQAKR-NRFANRHFSA-N 451.596 2.223 30 10 JEEE COCC[S@](=O)Cc1cccc(NC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1 1669153144 FFPJMVPHSFORIF-MNAQKMTRSA-N 454.552 2.376 30 10 JEEE C#C[C@@H](NC(=O)NCc1ccccc1S(=O)(=O)N(C)CCO)c1ccc(Cl)cc1F 1678443817 GBDTVFNCAQXWSN-GOSISDBHSA-N 453.923 2.266 30 10 JEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1689914075 ZVGOKFATQMTMEW-OKZBNKHCSA-N 482.651 2.431 30 10 JEEE C#CCCCn1c(N(C)[C@H](C)CS(C)(=O)=O)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1689939977 IUVJJJQXSVPTIQ-ZACQAIPSSA-N 453.609 2.332 30 10 JEEE C#CCN(c1nnc(COCC)n1C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1689996761 NWDMUCKNMIADAM-RBUKOAKNSA-N 495.646 2.088 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CCc1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1689996894 QKAFINYOEGHTPE-HXUWFJFHSA-N 494.577 2.203 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CC(=O)NCC=C)CC1 1690137842 KIXPKAZWGMSVOH-KRWDZBQOSA-N 484.988 2.340 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2CCN2CCSCC2)CC1 1690148896 YZKGOUHQYVBPHW-UHFFFAOYSA-N 466.655 2.192 30 10 JEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 1690154062 ITEGUMVWFHTZDG-UHFFFAOYSA-N 469.571 2.115 30 10 JEEE C#CCSCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1690157378 FICFEEPCJJNEEF-MAUKXSAKSA-N 463.991 2.389 30 10 JEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 1690316733 KVHVDMPBJHYDMB-UHFFFAOYSA-N 472.634 2.468 30 10 JEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](O)(c2ccccc2F)C1 1690464924 NHMNGMCZABKXFY-NZQKXSOJSA-N 493.605 2.204 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H]2CCC[C@H]21 1690672400 QOFSQLKWZPDJFV-KSZLIROESA-N 460.579 2.268 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](CNC(=O)c2ccccc2)C1 1690724275 LIFKEPXOYLFWDJ-TZIWHRDSSA-N 487.626 2.029 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1Cc1cccc(-n2cncn2)c1)[C@H]1CCS(=O)(=O)C1 1705562321 ZUDPLOWGBLOSET-XLIONFOSSA-N 453.572 2.047 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@@H]1CC=CCO1)[C@H]1CCS(=O)(=O)C1 1705569525 DPBAEPDEJALEIT-IRXDYDNUSA-N 462.522 2.119 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1705585789 KIBFAMPSARTYRD-UHFFFAOYSA-N 485.548 2.056 30 10 JEEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccccc1CN1CCC(O)CC1 1705605383 JDTXEQQVOZQNLN-SANMLTNESA-N 467.614 2.395 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2CC2(O)CCN(C(C)C)CC2)CC1 1705650096 LVZIYWWUUFXWHZ-UHFFFAOYSA-N 496.631 2.209 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](C)c2ccc(C)cc2)CC1 1705650927 CVPJDUHUIVPBDR-HXUWFJFHSA-N 462.598 2.478 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccnc(C(F)(F)F)c1 1705674270 DOTOVQUZMAUPLQ-OXJNMPFZSA-N 498.531 2.065 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC2CC2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1705705249 FOMRJQXJUXCAGP-NQIIRXRSSA-N 451.637 2.462 30 10 JEEE C=C(C)COCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1705730827 NRDMSWVGLRSCML-VWLOTQADSA-N 498.584 2.370 30 10 JEEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1705738228 PYZUAIIQXYRMSL-LJQANCHMSA-N 487.674 2.359 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(Br)s2)n1CCN1CCCS1(=O)=O 1722389037 NRWYUCSJWKDXQU-UHFFFAOYSA-N 482.429 2.268 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1Cc1ccccc1CN1CCC[C@H]1CO 1722395939 SVSVFHHCHZSVBR-DEOSSOPVSA-N 457.582 2.147 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@H](CC)N1CCc2ccccc2C1 1722419051 MDALJWOHJYCGMQ-HSZRJFAPSA-N 464.614 2.437 30 10 JEEE C=C(Br)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCO[C@@H](COC)C1 1722482509 AYNHKYSIHTZFPU-OAHLLOKOSA-N 489.374 2.435 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 1722504895 IDONQLBBSKYCTJ-MRCYXTNMSA-N 488.614 2.055 30 10 JEEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1722534330 NJWRFQGSKIJVNQ-UHFFFAOYSA-N 464.530 2.486 30 10 JEEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](CNC(=O)c2ccccc2)C1 1722542695 GDSCORWJSOIZNX-DLBZAZTESA-N 481.022 2.287 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nccs1 1722658119 FMHUFJFGZOSICJ-SFHVURJKSA-N 474.612 2.308 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC(C(=O)NC)CC1 1722694487 WYMSSIKKCYJWRI-OAHLLOKOSA-N 456.616 2.396 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1722699006 AAHOAQGJIBLEBT-FQEVSTJZSA-N 469.977 2.235 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(Cl)cc2F)C1 1722717377 AGDXHIWAQFZOQS-PKOBYXMFSA-N 499.996 2.233 30 10 JEEE CC(=O)Nc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3ccccc3C#N)CC2)cn1 1722804111 DQVQXQVQPCOXFJ-UHFFFAOYSA-N 487.568 2.016 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1CCN1CCCC1 1723592659 ICSXHAJNGQPPFV-UHFFFAOYSA-N 451.575 2.432 30 10 JEEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCCS2(=O)=O)C[C@@H](C(F)(F)F)O1 1726670060 CCPOJEOBQRHKJE-YOEHRIQHSA-N 484.504 2.008 30 10 JEEE CCc1cnc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)Cc2ccc(C#N)cc2)s1 1727436972 CZKXAVOKFRIJEW-AWEZNQCLSA-N 459.601 2.464 30 10 JEEE CCc1nn(C)c(CC)c1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(NS(C)(=O)=O)CC1 1727476596 AIEVXVZIPMSJRE-UHFFFAOYSA-N 496.641 2.241 30 10 JEEE COCC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1730624501 DXBAURBHIOKWAC-OFVILXPXSA-N 481.601 2.186 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCN(C)CCOC 1740546927 LOWBBBTWRMISHW-GOSISDBHSA-N 451.575 2.272 30 10 JEEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC1([S@](C)=O)CCC1 1740612552 CUTJSWKAJJVGQO-YTTGMZPUSA-N 454.644 2.013 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@@H](c1ccco1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1740619595 PNTUDAKSNHVMHG-MSOLQXFVSA-N 457.556 2.369 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCSC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1740626149 JTYULLGTYUNCIB-ZIAGYGMSSA-N 452.524 2.399 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1nc(C(C)C)cs1)[C@H]1CCS(=O)(=O)C1 1740627963 UNACJRLIGNEBOW-SJORKVTESA-N 463.629 2.427 30 10 JEEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1740712110 XEQRBZYBGOFBPH-SFHVURJKSA-N 491.639 2.430 30 10 JEEE C=CCC(C)(C)Cn1c(COc2ccc(OC)cc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1740851872 DVUYJNYBJFJZMB-UHFFFAOYSA-N 496.612 2.395 30 10 JEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F 1740888506 UEVBHSNVXOEHAZ-AWEZNQCLSA-N 476.525 2.162 30 10 JEEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCS(=O)(=O)C(C)(C)C 1740940699 PMEWPZHDBKBKIO-UHFFFAOYSA-N 488.614 2.044 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1740961160 NMFOROQFVUFUTM-HXUWFJFHSA-N 458.994 2.126 30 10 JEEE CCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCNc1nccc(C(F)(F)F)n1 1744691865 ABZOCFKFRIXSCW-UHFFFAOYSA-N 472.479 2.355 30 10 JEEE CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1CC1(N(C)C)CCOCC1 1747395206 BDVCLVUOQSPHOI-SFHVURJKSA-N 474.631 2.187 30 10 JEEE CCS(=O)(=O)CCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCC[C@H](O)C1 1747409887 AEHYMUPSFHMRHA-OALUTQOASA-N 461.588 2.151 30 10 JEEE C#CCCCCn1c([C@@H]2CCOC2)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 1748716312 XUQZTLNASJRYCR-HXUWFJFHSA-N 457.600 2.487 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC(=C)Br)[C@@H]1CCS(=O)(=O)C1 1748811443 HAAPBIRPMVJSFB-OAHLLOKOSA-N 450.362 2.184 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1csc(COC)n1)[C@H]1CCS(=O)(=O)C1 1748817578 MTAPNJFCGHCJJQ-INIZCTEOSA-N 451.618 2.145 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1cc(F)cc(OC)c1)[C@H]1CCS(=O)(=O)C1 1748818955 IBFJVKOMQHKXLT-FQEVSTJZSA-N 469.542 2.087 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CCc1ccncc1)[C@@H]1CCS(=O)(=O)C1 1748824287 NEMXAAFKOPTVBI-OAQYLSRUSA-N 465.579 2.430 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1Cc1cc(C)nn1C)[C@H]1CCS(=O)(=O)C1 1748824977 VAFLUMMSKZVISZ-FQEVSTJZSA-N 482.610 2.191 30 10 JEEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1Cc1ccccc1CN1CC[C@H](O)C1 1748900592 HFDQJBKIWBXKBK-VWLOTQADSA-N 471.609 2.218 30 10 JEEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1749216141 KKIXGULIAZTBJW-HXUWFJFHSA-N 489.642 2.100 30 10 JEEE C=C(Cn1c(CN2CCCC2=O)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C)c1ccccc1 1749246039 FGQCAYNDOWXODW-IFMALSPDSA-N 480.613 2.481 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1)C(C)C 1749558369 UAZMJNBQPJCHFM-HJNYFJLDSA-N 466.634 2.340 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2CCN(CC)C2)C1 1749695934 MBOYGBZMKYWTMK-UYAOXDASSA-N 459.616 2.472 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@]1(O)CCSC1 1760111934 XEWSZKIFGKRRAW-WAIKUNEKSA-N 452.584 2.391 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H](c1cccc(F)c1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1760192080 DNITZZPNMRTOLR-QHAWAJNXSA-N 475.590 2.198 30 10 JEEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CN(CC(C)C)CCO1 1760235733 VVRPEXUMHIAWIR-NHCUHLMSSA-N 490.649 2.403 30 10 JEEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2CC(=O)NCC(F)F)CC1 1760261399 QRQKUEZVMSHIPT-UHFFFAOYSA-N 474.556 2.425 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCCCNC(=O)OC(C)(C)C)CC1 1760269372 GMKGCDATVDOWRB-IBGZPJMESA-N 474.606 2.053 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(S(=O)(=O)CC)CC1 1760327144 CKZJLZILZCYWNE-MMKMLUHNSA-N 482.647 2.387 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCOC2)n1C[C@H]1CCCN1S(C)(=O)=O 1760487132 JZGFFEUPYNQZSX-IAGOWNOFSA-N 451.618 2.460 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H](NC(=O)CC)C1 1760516879 XEDMOCISGFBMKG-AEFFLSMTSA-N 458.538 2.354 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCN2CCCCC2=O)C1 1760534592 BWQDWXOJWAURQF-SFHVURJKSA-N 453.547 2.109 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1cnn(C)c1 1760558248 JZYCZWVYTZIZCJ-SFHVURJKSA-N 493.634 2.321 30 10 JEEE COCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1770977923 CPWCTBRFQFHSGI-BJKOFHAPSA-N 465.558 2.090 30 10 JEEE N#Cc1cccc(-c2nnc(N3CCC(CCCO)CC3)n2CC(=O)NCC(F)(F)F)c1 1771531160 DNFHYUYXDODCAA-UHFFFAOYSA-N 450.465 2.484 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1772660427 XYDPRUQVRLVZES-UHFFFAOYSA-N 488.577 2.011 30 10 JEEE Cc1cc([N+](=O)[O-])ccc1-n1cc(/C=N\NC(N)=S)c(-c2ccc(S(C)(=O)=O)cc2)n1 1857808148 RBOQETHVIOZBPK-FBHDLOMBSA-N 458.525 2.327 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCNC(C)=O)[C@H]2c2ccccc2C(=O)O)cc1OC 1862573044 RZTVUDDZCVUBEV-FQEVSTJZSA-N 468.462 2.116 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCNC(C)=O)[C@H]2c2ccccc2[N+](=O)[O-])cc1F 1862642260 JVSCSHOQXDBDBT-IBGZPJMESA-N 457.414 2.457 30 10 JEEE C=CCOc1ccccc1[C@@H]1C(C(=O)NCCCN2CCOCC2)=C(N)Oc2c1c(C)nn2CC 1864319157 OEULLQMYBVANJQ-QFIPXVFZSA-N 481.597 2.309 30 10 JEEE CCOC(=O)c1ccc(N2C[C@H](C(=O)Nc3c(C#N)nnn3-c3ccc(F)cc3)CC2=O)cc1 1870150508 DYLCQQYIEKFZTO-OAHLLOKOSA-N 462.441 2.446 30 10 JEEE C#CCOc1cn(CCCN2CCOCC2)c(CN2CCN(C/C=C/c3ccccc3)CC2)cc1=O 1870559933 CUMJMBPIGHVQBP-UXBLZVDNSA-N 490.648 2.414 30 10 JEEE Cc1cc(N2CCOCC2)nc(CNC(=O)[C@H]2SCC(=O)N(C(C)C)[C@@H]2c2ccc(C#N)cc2)n1 1889434737 AUISVIFKAURCLQ-RPWUZVMVSA-N 494.621 2.203 30 10 JEEE Cc1ccccc1Cn1cccc(C(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)c1=O 1889587621 MDARMFFLZOXENF-UHFFFAOYSA-N 476.621 2.077 30 10 JEEE N#Cc1nccnc1O[C@H]1CCCN(C(=O)c2cccn(Cc3cccc([N+](=O)[O-])c3)c2=O)C1 1892001380 MOMRIIXZCBHLGV-SFHVURJKSA-N 460.450 2.150 30 10 JEEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](NC(=O)OC(C)(C)C)CC[C@H]1C(=O)O 2068508732 DUZXMMMMINUSGZ-OAGGEKHMSA-N 453.536 2.262 30 10 JEEE CC1(C)OB(c2cnccc2C(=O)NCC2CN(C(=O)OCc3ccccc3)C2)OC1(C)C 2247777374 MFJTWYSGQXGSLW-UHFFFAOYSA-N 451.332 2.379 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N(CCNC(=O)OC(C)(C)C)CCN(C)C)C1 2255189936 NXYTYVPDTWZVOS-UHFFFAOYSA-N 452.596 2.208 30 10 JEEE CC(C)(C)OC(=O)N[C@]12C[C@@H]1CN(S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)C2 2255795561 HOTJTOFWVSDAJJ-XCLFUZPHSA-N 470.422 2.335 30 10 JEEE Cc1cc(S(=O)(=O)NOC2CN(C(=O)OC(C)(C)C)C2)sc1B1OC(C)(C)C(C)(C)O1 2255933084 KSIKALVYZLPBSJ-UHFFFAOYSA-N 474.410 2.185 30 10 JEEE CN(CCN(C)C(=O)OC(C)(C)C)C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2256612468 DXRZOYOUNRVUBO-UHFFFAOYSA-N 454.402 2.451 30 10 JEEE C[C@H]1CN(C(=O)OC(C)(C)C)[C@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)s2)CO1 2256620360 HLGABINLSVAGJI-STQMWFEESA-N 453.370 2.405 30 10 JEEE CC(C)(C)OC(=O)NCC1(NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2F)COC1 2266983759 QPLJHYXGWJUKAJ-UHFFFAOYSA-N 450.316 2.148 30 10 JEEE Cc1c(B2OC(C)(C)C(C)(C)O2)csc1C(=O)N[C@H](C)C1(O)CN(C(=O)OC(C)(C)C)C1 2267104111 RPRPZSXOOKQEOX-CQSZACIVSA-N 466.409 2.456 30 10 JEEE Cc1cc(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 2267150088 ASMCVZOUVHVIDF-CVEARBPZSA-N 466.409 2.456 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]1CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2267363536 KMENLUYXSPURFK-SUMWQHHRSA-N 470.372 2.316 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)c(Cl)c2)C1 2267402921 GOWGCXKMXKXHTE-IRXDYDNUSA-N 466.771 2.349 30 10 JEEE C[C@H](CNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1)CN(C)C(=O)OC(C)(C)C 2267469521 WYQQBRPJVYJYNN-CQSZACIVSA-N 489.469 2.365 30 10 JEEE CCc1nn(C)c(C(=O)N[C@@H](CC)CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267508406 DSPFNIXACMNENA-AWEZNQCLSA-N 450.389 2.315 30 10 JEEE CC(C)(C)OC(=O)N1CC([S@](C)(=O)=NC(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267591956 AQGGKKPESAOREK-YTTGMZPUSA-N 465.381 2.238 30 10 JEEE COCC(C)(C)N(Cc1ccccc1)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2267712249 CWGCKKGZFKSBMD-UHFFFAOYSA-N 463.409 2.335 30 10 JEEE CC(C)(C)OC(=O)N1CC(ONS(=O)(=O)c2c(Cl)cccc2B2OC(C)(C)C(C)(C)O2)C1 2267723194 PPGOUBGKUZVMIU-UHFFFAOYSA-N 488.799 2.468 30 10 JEEE CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2268633192 QVNGSIUOMPHCHS-NSHDSACASA-N 474.339 2.090 30 10 JEEE COCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2268645877 WGBDEGOQCJNHOG-OAHLLOKOSA-N 453.320 2.388 30 10 JEEE CC(C)(C)OC(=O)NC12COC(C(=O)NCc3ccc(B4OC(C)(C)C(C)(C)O4)s3)(C1)C2 2268723206 PRBFOLJBWOEBDE-UHFFFAOYSA-N 464.393 2.490 30 10 JEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](CO)C1 2281806134 HQYKBJMJXVEKTB-NVXWUHKLSA-N 464.368 2.235 30 10 JEEE Cc1c(C(=O)N[C@H]2C[C@@](F)(CNC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281984651 HDENJHAEHSIABP-CAJLXGCNSA-N 466.363 2.153 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](NC(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)CCO1 2282060862 CKOHZNBHTIQPGS-HZPDHXFCSA-N 461.368 2.183 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)c1 2282113150 MMBUDHBLFDAITB-APWZRJJASA-N 460.380 2.252 30 10 JEEE CC1(C)OB(c2cncnc2C(=O)N[C@H]2CN(Cc3ccccc3)CC(F)(F)C2)OC1(C)C 2282180339 RPDPDZQULFUZKJ-QGZVFWFLSA-N 458.318 2.415 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C2(CC2)C1 2282189156 GJSJCOIJEFXZDX-OAHLLOKOSA-N 458.368 2.438 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@]2(C[C@H](NC(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)o3)CO2)C1 2282197427 OJCCOZQAPZIHBD-NPMXOYFQSA-N 462.352 2.477 30 10 JEEE CC[C@](C)(CNC(=O)OC(C)(C)C)N(C)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282339039 QZSWGRXJOIIUMR-OAQYLSRUSA-N 486.444 2.033 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N=[S@@](C)(=O)C1CN(C(=O)OC(C)(C)C)C1 2282607419 KSIJWTASHWAVRR-XIFFEERXSA-N 482.412 2.060 30 10 JEEE CC1(C)OB(c2c[nH]c(C(=O)N3CC[C@@H]4OCCN(Cc5ccccc5)[C@H]4C3)c2)OC1(C)C 2282622764 KRYVBKKWLZKRNR-VXKWHMMOSA-N 451.376 2.429 30 10 JEEE CC1(C)OB(c2csc(S(=O)(=O)NC[C@]3(O)CCCN(Cc4ccccc4)C3)c2)OC1(C)C 2282860289 YCEXZSVGWYHXRH-HSZRJFAPSA-N 492.472 2.353 30 10 JEEE CC(C)(C)OC(=O)NC1CC(O)(C(=O)N2CCc3c(B4OC(C)(C)C(C)(C)O4)cccc32)C1 2284050765 CHGVNSRICTZQNQ-UHFFFAOYSA-N 458.364 2.293 30 10 JEEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)N1CCc2scc(B3OC(C)(C)C(C)(C)O3)c2C1 2336502542 YEUSGRJTQOTMBX-CXAGYDPISA-N 466.409 2.206 30 10 JEEE C=CC1(NC2(C(=O)O)C[C@H]3COC[C@@H](C2)N3C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)C1 2349788408 JGKYIKLFAXVPKZ-QSVWGWLCSA-N 467.563 2.373 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC23CC3)n1C 2362331950 KFYUFTFLGHFAGD-OAHLLOKOSA-N 460.384 2.157 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@](C)(CNC(=O)OC(C)(C)C)C2CC2)n1C 2362483085 LZOFWFVXHNUJMW-HSZRJFAPSA-N 462.400 2.451 30 10 JEEE CC(C)(C)OC(=O)N1CC2(CC[C@@H](NC(=O)c3cnsc3B3OC(C)(C)C(C)(C)O3)CO2)C1 2362503580 RPZHLHYUGIRXON-CQSZACIVSA-N 479.408 2.341 30 10 JEEE Nn1c(N/N=C/c2cccc(O)c2)nnc1SCCC(=O)Nc1ccc2c(c1)OCCO2 20915416 WXLCAPSLBKYWDN-WSDLNYQXSA-N 455.500 2.036 30 10 JEEE CC(C)(C1=N[C@@](C)(C(=O)O)CS1)[C@H](O)[C@@H]1CS[C@@H]([C@H]2CS/C(=C3\C=CC=CC3=O)N2)N1 136507546 CARQCAHMXWHUIE-SDJLTUQYSA-N 481.665 2.005 30 10 JEEE C[C@]12C=CC(=O)C=C1CC[C@H]1[C@H]2C(=O)C[C@]2(C)[C@@H]1CC[C@@]2(O)C(=O)COC(=O)CCC(=O)O 256501511 IMWBZDUOZWSUQI-KVGGNSOTSA-N 458.507 2.182 30 10 JEEE N#Cc1c(CCCNC(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)nn(-c2ccccc2)c1N 501661680 CLOOPWYUCARRMT-LJQANCHMSA-N 484.607 2.290 30 10 JEEE CNS(=O)(=O)c1ccccc1N1CCN(C(=O)Nc2cc(C#N)ccc2OC(F)F)CC1 609083245 CYTAPSUDEDULMG-UHFFFAOYSA-N 465.482 2.422 30 10 JEEE CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 726312081 BPZXLMSLINVBJC-XZOQPEGZSA-N 461.566 2.339 30 10 JEEE Cn1cc(C=Nn2c(-c3ccc(NS(C)(=O)=O)cc3)csc2=NC[C@@H]2CCCO2)cn1 728420558 GECWQDUEUJKKDS-SFHVURJKSA-N 460.585 2.284 30 10 JEEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccc(F)c(Cl)c1 729669866 UVNGNWSTBJZLJN-UHFFFAOYSA-N 481.940 2.367 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)N(CC)Cc3ccc4c(c3)OCCO4)cc2C1=O 749249738 GMKQEUABHYFQLY-UHFFFAOYSA-N 464.474 2.445 30 10 JEEE C#CC[C@@]1(C(=O)Nc2ncn(CC(=O)N3CCCCCC3)n2)CCCN1C(=O)OC(C)(C)C 1125742427 RJIXUBAEDRLEOA-QHCPKHFHSA-N 458.563 2.412 30 10 JEEE C=CCOc1cn(-c2ccccc2)nc1C(=O)Nc1cc(C(=O)NCCC(N)=O)ccc1F 1136615043 XMDJEZXJTFDVIO-UHFFFAOYSA-N 451.458 2.434 30 10 JEEE C#CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCN1CCCS1(=O)=O 1286363284 PPEQAMMBJRRIAV-UHFFFAOYSA-N 452.584 2.458 30 10 JEEE C#CCN(c1nnc(C2CC2)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1286388848 BZFNCRVXKLNHKI-QZTJIDSGSA-N 465.620 2.332 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1Cc1ccc(OC)cc1F)[C@H]1CCS(=O)(=O)C1 1286394212 VLKJJANFVFGBHB-SFHVURJKSA-N 489.598 2.457 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCCCS(C)(=O)=O)CC1 1286473510 NZMPRRKATYHGBY-UHFFFAOYSA-N 483.436 2.006 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Cl)n2CC(=O)NCC(F)(F)F)CC1 1286489319 OEESOTMQQQUEMJ-UHFFFAOYSA-N 482.894 2.243 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 1286495795 FPYRXANZOSZHED-INIZCTEOSA-N 499.622 2.137 30 10 JEEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1286535896 LVMFQPMTLRDZBV-HZPDHXFCSA-N 496.410 2.308 30 10 JEEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1286601320 KFWYMNJMAIOVTJ-IRXDYDNUSA-N 450.584 2.358 30 10 JEEE C=C(C)COCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1286606779 AJGMXZMAFSPNLY-LJQANCHMSA-N 489.646 2.136 30 10 JEEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC2(CCC2)C[C@@H]1CC 1286710865 FIVBLZQAQHPORB-RBUKOAKNSA-N 467.636 2.363 30 10 JEEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC=C(C(C)(C)C)CC1 1286711864 QBVBWWFSWFQSSB-IBGZPJMESA-N 467.636 2.386 30 10 JEEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H](C)N1CCN(CC)CC1 1286724397 HJVSSQZBYVBHSA-FQEVSTJZSA-N 453.639 2.100 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC(NC(=O)COC)CC1 1286782194 NJGFLSSTRXPOEW-MRXNPFEDSA-N 486.642 2.165 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](c2nc(C)cs2)C1 1286814655 VKKVVIDVURQABP-KRWDZBQOSA-N 478.644 2.264 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCOC(C)(C)C1 1286815514 WKUHCEZCJQVGQY-UHFFFAOYSA-N 458.382 2.252 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCc1ccc(OC)cc1OC 1292133264 HLDRKQCBYSCLMS-LJQANCHMSA-N 456.547 2.185 30 10 JEEE C#CCN(CC(=O)N1CCNC(=O)[C@H]1c1ccc(OC(F)(F)F)cc1)C(=O)OC(C)(C)C 1296363016 QJTMNZSHEZXDCJ-QGZVFWFLSA-N 455.433 2.455 30 10 JEEE C#CCN(c1nnc(C(C)C)n1Cc1ccccc1CN1CCC(O)CC1)[C@H]1CCS(=O)(=O)C1 1300484982 SSARAWHPXGGIGZ-QFIPXVFZSA-N 485.654 2.033 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@H]2CC2(C)C)CC1 1300700489 RBLAWEGXCDTMKN-RBUKOAKNSA-N 458.607 2.388 30 10 JEEE COC1CCN(C(C)(C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCS(=O)CC2)CC1 1300781691 BVIXIORCIVLZAJ-UHFFFAOYSA-N 456.616 2.275 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2C#N)CC1 1300870828 AIGPQRUBAMVUPP-CBQOVEMMSA-N 499.641 2.068 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1300892471 SVDGZRYMXWDVMH-HLIPFELVSA-N 493.655 2.264 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1300904900 HUQCLGIMDZSYOY-HXUWFJFHSA-N 456.515 2.499 30 10 JEEE C=CCN(c1nnc(-c2csc(N3CCOCC3)n2)n1CC(=O)NCC(F)(F)F)C1CC1 1301323318 SIQXKHKKOGOIPO-UHFFFAOYSA-N 471.509 2.072 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1([S@](C)=O)CC1 1301339255 KJJGPQNGAVJTSS-RQZFFVEVSA-N 473.624 2.156 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCN(C(=O)c2ccsc2)CC1 1301514056 DPAUGGVKMCUDQY-UHFFFAOYSA-N 480.594 2.492 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1301576221 TTZAXNADHGEAJU-GOSISDBHSA-N 470.599 2.111 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2cc(F)cc(F)c2)CC1 1301589676 WDMPGWZLSIKOGX-QGZVFWFLSA-N 481.569 2.378 30 10 JEEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCCC(C)(C)C1 1301593571 PVPXNPOIYBLNTN-UHFFFAOYSA-N 451.618 2.497 30 10 JEEE C=CC[C@@H](Cc1ccccc1)NC(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 1311380704 NRGIHKPKVBSNNX-NRFANRHFSA-N 457.600 2.020 30 10 JEEE CN(CCn1c(-c2cccc(C#N)c2)nnc1N(C)CCS(C)(=O)=O)C(=O)OC(C)(C)C 1314861892 DRBHSCFEKSJZOU-UHFFFAOYSA-N 462.576 2.164 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1ccc(OC)cc1)C1CC1 1358930581 YFEQKKAIXNCBEB-NRFANRHFSA-N 473.599 2.202 30 10 JEEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1csc(CC)n1)[C@@H]1CCS(=O)(=O)C1 1358956499 GRCCFYJHPYCSEH-XMSQKQJNSA-N 493.655 2.013 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1Cc1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 1358957616 XDZMUYJWRLTWDH-APWZRJJASA-N 489.001 2.480 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1359039150 YHHXHMZILGSIGZ-INIZCTEOSA-N 498.436 2.354 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@@H](C)N2CCOCC2)CC1 1359041091 MXPMWGUJGKYCTN-WOJBJXKFSA-N 498.603 2.244 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ncc(Cl)n1C 1359189743 UAPFMVPRFPEITI-OAHLLOKOSA-N 486.042 2.237 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(C2CC2)C(=O)C1 1359292264 LTBHZBGXNOEEFO-OAHLLOKOSA-N 458.950 2.185 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(Cc2cscn2)CC1 1359294558 XKPUQLAWPKLLKG-UHFFFAOYSA-N 491.419 2.117 30 10 JEEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCCN(Cc2ccc(OC)cc2)C(=O)C1 1359299572 ISGDGSYLMJYMFG-UHFFFAOYSA-N 466.586 2.485 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1359305537 GCTPYBIEIGQVJA-OTWHNJEPSA-N 490.605 2.037 30 10 JEEE C=CCC1(NC(=O)C2CCN(S(=O)(=O)c3ccc(C(=O)OCC)o3)CC2)CCOCC1 1437478858 JRXFMPCFNHPUOR-UHFFFAOYSA-N 454.545 2.099 30 10 JEEE C#CCCCCn1c(Cc2ccccn2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1507568736 YVKWETVWBCHPSJ-URXFXBBRSA-N 463.630 2.446 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1oc(CCC)nc1C)[C@H]1CCS(=O)(=O)C1 1507631599 QYLQYPXBHQMVQO-SFHVURJKSA-N 454.556 2.264 30 10 JEEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1C[C@@H](C)COC)[C@@H]1CCS(=O)(=O)C1 1507640135 PSJHYOWWRQXWAB-WOJBJXKFSA-N 460.600 2.383 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCn1cncn1 1507669816 SBBJAWYLUNIXNX-LJQANCHMSA-N 452.563 2.147 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCNC(=O)C(C)C 1507711085 NLGPTMYXRLNXSD-IBGZPJMESA-N 476.622 2.251 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCCN2CCOCC2)CC1 1507719479 NVVGKCBYTJLNKQ-HXUWFJFHSA-N 456.566 2.035 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCc2c(OC)cc(OC)cc2OC)CC1 1507738943 IQHHDLOVCYVBFB-LJQANCHMSA-N 497.596 2.016 30 10 JEEE C=CCNC(=O)Cn1c(Cn2ccc3ccccc32)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1508093149 BEOCDWYSCQOUBH-LJQANCHMSA-N 465.558 2.298 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@H]2CCC(=O)N2)C1 1508129547 RUEINXSAKFEGLH-KURKYZTESA-N 460.579 2.410 30 10 JEEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H](C)[C@@H]1CC 1508142656 FOKLRKINSCNCOB-HOTGVXAUSA-N 451.618 2.495 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H](n2cncn2)C1 1508147729 BNRFQVRJPOIDLY-GUDVDZBRSA-N 477.635 2.231 30 10 JEEE CCN(CC)CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2c(C)noc2C)CC1 1515557483 FYWQHFNYJBJPSB-UHFFFAOYSA-N 476.585 2.460 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCC(=O)NC1CCCCC1 1539002834 IGSBMTRWDKYYFK-KRWDZBQOSA-N 461.570 2.489 30 10 JEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](OCc2ccccc2)C1 1539071886 GPKYLOYBWRBQCA-YADHBBJMSA-N 487.626 2.210 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC(=O)N(C)CC)CC1 1539473837 DJEGUMHHOSQLTL-UHFFFAOYSA-N 472.977 2.051 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2[C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 1539477596 RXKCNZDGJIWLNM-IKGGRYGDSA-N 466.508 2.489 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@H](C)Oc2ccc(C)cc2)CC1 1539477620 SXITUCATRPVTOM-IBGZPJMESA-N 459.554 2.477 30 10 JEEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2cccc(F)c2[C@@H]1C 1539517974 USQMPGFIBRQKOK-QFBILLFUSA-N 493.630 2.240 30 10 JEEE C=C(Br)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CC(=O)NCC)CC1 1539580837 RQMZENPSIYYMBY-UHFFFAOYSA-N 478.351 2.020 30 10 JEEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1539752657 VIGYNEHEOKQAAM-UHFFFAOYSA-N 482.614 2.047 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC=CCO1 1540148010 ZATJTCYLDIJLDK-MJGOQNOKSA-N 479.628 2.210 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(Cl)ccc1OC 1540170488 ONVRYVVEQWPBNG-IBGZPJMESA-N 482.006 2.500 30 10 JEEE C=CCNC(=O)Cn1c(N2CCO[C@@H](c3cccc(F)c3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1540876502 TWRLHWOFFWYZGK-HYBUGGRVSA-N 473.549 2.338 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)CC1CC(F)C1 1540901771 ORQWQDGGDLHWOG-UHFFFAOYSA-N 484.623 2.023 30 10 JEEE CCCNC(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1547242416 DKXJSVPXCNPJCO-NRFANRHFSA-N 482.610 2.262 30 10 JEEE C#CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCN(C(=O)NCC)CC1 1587847641 PGUANUVKUYSLEO-UHFFFAOYSA-N 476.585 2.330 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@@H]1CCC=CO1)[C@@H]1CCS(=O)(=O)C1 1588069537 QDKBBZVOXKRJNB-CTNGQTDRSA-N 456.568 2.485 30 10 JEEE C#CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1cccc(O)c1 1588581585 XEGMVUZMGJJKSZ-UHFFFAOYSA-N 468.583 2.387 30 10 JEEE C#CCN(CCOC)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cn2ccc(C)cc2n1 1588581632 YXHBPFVPPSBYJH-DEOSSOPVSA-N 452.559 2.409 30 10 JEEE C#CCSCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1588994623 YLMPOYBQQYAAHL-QHCPKHFHSA-N 471.583 2.054 30 10 JEEE C=C(C)CN(CC)c1nnc(Cc2ccccn2)n1CCS(=O)(=O)N1CCSCC1 1589669570 ZRBYTTMJAQBRFW-UHFFFAOYSA-N 450.634 2.045 30 10 JEEE C=C(C)COCCn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1593703234 FXQBHOHDJCOSEB-UHFFFAOYSA-N 472.977 2.118 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1595562419 YEBKMBDMZLCEQF-KRWDZBQOSA-N 477.491 2.367 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@H]([C@H]3CCCO3)C2)cc1 1595607234 BTGYLQINNUHCHJ-RTWAWAEBSA-N 455.559 2.414 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCSC[C@H]1C 1595805872 WVRMNSPUZZZPHU-CRAIPNDOSA-N 450.586 2.333 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCc2ccc(OC)cc2C1 1595823679 QCSZVADCTLQESE-UHFFFAOYSA-N 470.599 2.312 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1C[C@H]2CCCN2C[C@H]1C 1595831929 ZPMOSFYHCTXDPG-QZTJIDSGSA-N 463.579 2.270 30 10 JEEE C[C@H]1COCCN1CCn1c(CNC(=O)c2cccs2)nnc1N(C)Cc1cccc(C#N)c1 1613012239 DPLPMJMIGJYGIP-SFHVURJKSA-N 479.610 2.498 30 10 JEEE Cc1ccc(S(=O)(=O)N[C@H](C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)[C@H](C)O)cc1 1617824883 HFEJOCOVNZYXLD-SJCJKPOMSA-N 457.430 2.432 30 10 JEEE COCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(c2nc(C)no2)CC1 1619877379 DLIMSSWDWMOLFX-UHFFFAOYSA-N 450.547 2.470 30 10 JEEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)cc1 1622964910 VUGMBYYHBUAMOI-UHFFFAOYSA-N 452.515 2.200 30 10 JEEE CCN1CCN(c2cccc(NC(=O)C[C@H](C)/N=C3/NS(=O)(=O)c4ccccc43)c2)CC1 1625670984 DYFZIFBSUSBDGX-KRWDZBQOSA-N 455.584 2.284 30 10 JEEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](COC)C(N)=O 1632001142 SHDNOYDXLWXPFM-FCHUYYIVSA-N 451.523 2.476 30 10 JEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C(F)(F)F)c1 1645452534 RXQBSIFCAYLDTO-WOJBJXKFSA-N 465.497 2.391 30 10 JEEE CC(C)N(CCS(C)(=O)=O)CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 1652927340 CWBOTINKBZBVCE-QGZVFWFLSA-N 450.605 2.111 30 10 JEEE Cn1cc(S(=O)(=O)N2CCC(NC(=O)N3CCC(c4ccc(C#N)cc4)CC3)CC2)cn1 1684851505 GZBVHZNQVQWQBO-UHFFFAOYSA-N 456.572 2.034 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCNC(=O)c1ccco1 1689852099 AGKKXYGLDGFPAZ-DLBZAZTESA-N 472.546 2.067 30 10 JEEE C#CCCCCn1c(-c2cccn2C)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1689884413 UZJZNADMLCPYJQ-UHFFFAOYSA-N 465.602 2.027 30 10 JEEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CCOC)[C@H](C)C1 1689932062 PYWYNNSVEIUMES-UXHICEINSA-N 476.622 2.157 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCCCN1CC)[C@H]1CCS(=O)(=O)C1 1689983427 BKXBMZPGRWOQCH-MOPGFXCFSA-N 477.034 2.495 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1CCN1CCCC[C@H]1CC)[C@@H]1CCS(=O)(=O)C1 1689986895 ZFMHNHZMZHOXAT-WOJBJXKFSA-N 456.616 2.231 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](N1CCOCC1)C(F)(F)F 1690089706 KHOBDWAZTKCFNX-OALUTQOASA-N 494.493 2.271 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCc1cnn(C)c1 1690090843 AAPXZXNSEDVUDH-FQEVSTJZSA-N 470.574 2.325 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ccc(C)nc1 1690096745 ZQYMVZCHDYEUAP-UHFFFAOYSA-N 468.583 2.033 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCN2C[C@H](C)C[C@@H](C)C2)CC1 1690152357 IQRGFHFQAYEUKH-NHCUHLMSSA-N 494.688 2.474 30 10 JEEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(Cn2nc(C)cc2C)CC1 1690328910 QFWQTTITAOOBAK-INIZCTEOSA-N 456.016 2.371 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nccc(OCC)n2)CC1 1690433653 YSHJXYACJUFFBT-GOSISDBHSA-N 489.646 2.298 30 10 JEEE C=CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1690642578 WPMKICWHPBUTFI-ZWKOTPCHSA-N 487.605 2.345 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1690660728 NQJUSHHMEILPTO-YADARESESA-N 487.626 2.352 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(NC(=O)c2cc(C)oc2C)CC1 1690671022 NOEVTRVNFAINHB-GOSISDBHSA-N 470.574 2.083 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1690673659 ZKGRJTAOLFQESF-MRXNPFEDSA-N 466.508 2.253 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccc(Cl)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1690677519 YUZZSIPWPIRMCV-WMLDXEAASA-N 460.991 2.241 30 10 JEEE C=CCOc1ccc(Cn2c(-c3cccn3C)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)cc1 1690679028 JLLHCHRCRWBFRM-SFHVURJKSA-N 470.599 2.367 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(C)n3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)C1 1690696439 BYPFBMGYXADJKA-RBBKRZOGSA-N 467.618 2.373 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCc2n[nH]c(C)n2)C1 1690700726 WQAMSAKQBGTYLG-ROUUACIJSA-N 488.593 2.037 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1690722687 RVJFUPISBWQULA-JTSKRJEESA-N 474.587 2.044 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](N2CCCCC2)C1 1690729856 UGCBHYFPEIRDMY-NRFANRHFSA-N 484.626 2.394 30 10 JEEE C[C@H](CC#N)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc(C(N)=O)cc1 1692657014 CJLZXSMKYNDAGZ-OAHLLOKOSA-N 466.571 2.124 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccc(OC(C)(C)C)nc1)[C@@H]1CCS(=O)(=O)C1 1705571739 GUZKJZZLEFUTMY-RTBURBONSA-N 473.599 2.377 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC(=O)NCCC)CC1 1705645717 BQXRKPJDHHLOPB-UHFFFAOYSA-N 460.941 2.230 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CC[C@H]2CCO[C@@H](C)C2)CC1 1705650277 OBSZRVZQODUGNC-PMACEKPBSA-N 450.587 2.435 30 10 JEEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCO[C@H](Cn2cccn2)C1 1705655367 LRJQLBGLOBPIBR-NRFANRHFSA-N 468.583 2.431 30 10 JEEE CCN1CCN([C@@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCNC(=O)C(C)C)CC1 1710265504 BKYMMGXVGBTZDT-FQEVSTJZSA-N 466.634 2.051 30 10 JEEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@](C)(O)c2cc(C)oc2C)C1 1710345008 BVAXKBKDOFWSCM-HYBUGGRVSA-N 498.609 2.452 30 10 JEEE CN(C)CC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1711009694 FSNMKTDFTSEXMD-VQTJNVASSA-N 451.575 2.267 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(c2ccccc2C)CCOCC1 1722275843 GLFGDLWSZMJNPT-RTBURBONSA-N 459.616 2.403 30 10 JEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CC)Cc1nc(O)c2sccc2n1 1722332317 IRAFIWOLNAYTPK-CQSZACIVSA-N 460.585 2.330 30 10 JEEE C#CCN(c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC(=O)NCC(F)F)[C@@H]1CCS(=O)(=O)C1 1722358383 BEIDAINFRFZJSS-GOSISDBHSA-N 493.580 2.251 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1CC1(N(C)C)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1722360327 GHSZJXMEPZVKQF-LJQANCHMSA-N 458.632 2.175 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCCCN1CCC)[C@@H]1CCS(=O)(=O)C1 1722366204 HGONKKMTGGYWRD-QHAWAJNXSA-N 463.648 2.063 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CC1CN(C(=O)OC(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1 1722369016 UZLYCARFZFQASV-RBUKOAKNSA-N 493.630 2.013 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1(S(C)(=O)=O)CCCC1 1722380567 QCGVWQDBRYVMLP-UHFFFAOYSA-N 492.605 2.105 30 10 JEEE C#CCN(CC)c1nnc(-c2cc(Br)cn2C)n1Cc1cccc(OCC(N)=O)c1 1722406492 YCPDRLVSOISCKV-UHFFFAOYSA-N 471.359 2.418 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCOCc1ccc(OC)cc1 1722467422 RXKLAGJQKDXGJT-HTAPYJJXSA-N 461.588 2.106 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CCc2ccccc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1722505632 RTERAWQSLSUEIZ-DHLKQENFSA-N 466.630 2.255 30 10 JEEE C=CCCOCCn1c(-c2cccnc2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1722626376 KYTFBROYQZNCPA-UHFFFAOYSA-N 453.591 2.067 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1722728884 BQPVDHRTJWHXHN-LJQANCHMSA-N 458.632 2.175 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 1722729348 JMVVKMBBYBBMOM-FQEVSTJZSA-N 487.548 2.394 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1722736771 HXSZXNSHORAILE-QGZVFWFLSA-N 466.995 2.105 30 10 JEEE CCC(CC)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)COC)CC1)N(C)C 1727163605 DWYOPFDBVQYBDZ-JOCHJYFZSA-N 467.618 2.478 30 10 JEEE CCOc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H](C)CN2CCN(CC)CC2)cc1OC 1728857301 COLOPRUGNIJDPE-RBBKRZOGSA-N 497.644 2.355 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1CCCCOCC)[C@H]1CCS(=O)(=O)C1 1740618728 BCUIBQLOCFBICS-SFHVURJKSA-N 460.556 2.117 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CC1(COC)CCC1)[C@@H]1CCS(=O)(=O)C1 1740627554 IJDDOUQOJSYKJC-HXUWFJFHSA-N 483.594 2.172 30 10 JEEE C#CCN(CC#C)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1C[C@@H]1CCS(=O)(=O)C1 1740630430 CFHVAVQPNGHUOO-OALUTQOASA-N 456.568 2.324 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCC(=O)NC(C)(C)C)CC1 1740689517 DMDZXVSRANAZRE-UHFFFAOYSA-N 465.602 2.207 30 10 JEEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@H]1CCCc2c1cnn2C 1740738069 CUXASZBFPFABMP-JSGCOSHPSA-N 472.413 2.044 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1740981132 MGLSHURQFCKGRB-MSOLQXFVSA-N 458.950 2.292 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1740988088 SMFMBQAXOPLCRB-HOTGVXAUSA-N 484.481 2.261 30 10 JEEE CCN1C[C@H](C)N(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC(=O)N(CCOC)C2)C[C@@H]1C 1746375577 HQOJNJNPXQYSHT-IRFCIJBXSA-N 465.602 2.231 30 10 JEEE CNC(=O)[C@@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(N(C)C)CCSC2)C1 1748142933 BCEHNXZJKBJMBE-BJKOFHAPSA-N 483.642 2.128 30 10 JEEE CNC(=O)[C@@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(N(C)C)CCSC2)C1 1748142936 BCEHNXZJKBJMBE-ZEQRLZLVSA-N 483.642 2.128 30 10 JEEE C#CCN(c1nnc(C(C)C)n1Cc1ccc(OCCN(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 1748802386 OVFQLCSSCWFGQF-HXUWFJFHSA-N 459.616 2.017 30 10 JEEE C#CCN(c1nnc(-c2cc3ccccc3o2)n1CCC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1748807966 FFSGVYVTWYEZQS-SFHVURJKSA-N 469.567 2.233 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H](C)c1ncc(C)s1)[C@@H]1CCS(=O)(=O)C1 1748815737 TTWPMWISFSTTPP-CGTJXYLNSA-N 463.629 2.367 30 10 JEEE C#CCN(c1nnc(CCOc2ccccc2)n1C[C@H]1CCCN1CC)[C@@H]1CCS(=O)(=O)C1 1748820489 COLYQLYIUJPRQT-NHCUHLMSSA-N 471.627 2.011 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(c2ccccc2OC)CC1 1748891572 AQXUYVRYJBYEBC-IBGZPJMESA-N 452.580 2.384 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(SC)CCN(C)CC1 1748949810 CDIXCJLZFOSYOJ-UHFFFAOYSA-N 491.683 2.262 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ncccc1N(C)C 1748965633 UAUVAGYVBMSNLQ-NRFANRHFSA-N 499.616 2.182 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H]2CCC[C@@H]2OC)CC1 1748972738 POAVJKRVQIKWLH-FPOVZHCZSA-N 471.005 2.432 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCCN2CCN(CC)CC2)CC1 1748979315 YHXTWYOHIWKYNP-JOCHJYFZSA-N 483.636 2.340 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2Cc2snnc2C)CC1 1749001085 HVMYMMGKDGJUCZ-UHFFFAOYSA-N 492.609 2.321 30 10 JEEE C=C(C)COCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@H](C(=O)NC)C1 1749225202 CDTBSJKWWATGMS-INIZCTEOSA-N 451.531 2.149 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(OC)cc2)CC1 1749342845 QKBWOLQKIQSIGO-HXUWFJFHSA-N 461.588 2.070 30 10 JEEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 1749427708 SPDKXPVLZNCLKO-SFHVURJKSA-N 459.620 2.386 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cnn(C)c1 1749532715 WUBVCAJSSGIBKC-HXUWFJFHSA-N 451.556 2.026 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c(-c2noc3c2COCC3)nnc1N1CC(=O)N(C)C[C@H]1C)C(C)C 1749558146 QOFXLDYGYSZJOK-UYAOXDASSA-N 483.617 2.371 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2coc(-c3ccccc3)n2)C1 1749699048 YYFCWNLJKSKFLI-LPHOPBHVSA-N 472.571 2.373 30 10 JEEE C=CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(CC(N)=O)CC1 1749756033 QRJFGLLWGJNYNA-UHFFFAOYSA-N 470.647 2.463 30 10 JEEE COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1Cc1ccnc(N2CCCCC2)c1 1749821560 DIVJYAMPSRTURQ-UHFFFAOYSA-N 466.590 2.314 30 10 JEEE CC(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@H](C(F)F)N2CCOCC2)CC1 1749832078 UXQPKRSPSKDERO-OAQYLSRUSA-N 487.555 2.231 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CCOc2ncccc2Cl)c1 1760128359 GGNVUQSWKORHDU-LJQANCHMSA-N 493.955 2.413 30 10 JEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(Nc2cc(OCC)ncn2)CC1 1760137495 KRFKIHWGGBBQLY-SFHVURJKSA-N 487.630 2.253 30 10 JEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccc(Cl)nc2C1 1760138131 RSDBYOUGXPAAQG-GOSISDBHSA-N 479.006 2.026 30 10 JEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 1760138237 UODCVNGGLRCSPX-SFHVURJKSA-N 464.613 2.024 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H](C)Oc1ccccc1)[C@H]1CCS(=O)(=O)C1 1760183452 BKZNPSHKUFBHSP-MOPGFXCFSA-N 451.552 2.434 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Cl)n1C[C@@H]1CCOC[C@@H]1OC)[C@H]1CCS(=O)(=O)C1 1760185387 WLTMVIZBEGCCJL-ZWOKBUDYSA-N 479.002 2.277 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccccc2F)n1Cc1cccnc1N1CCOCC1 1760209917 KHBQUBSYFJFUMJ-UHFFFAOYSA-N 460.513 2.349 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCc1cn[nH]c1 1760249377 KMNFMKSAZUMVKO-IBGZPJMESA-N 457.579 2.444 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2C[C@]2(N(C)C)CCSC2)CC1 1760269652 ASMANSWOTDAXDL-AREMUKBSSA-N 496.681 2.281 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1760325718 RXGMEIXWCHSUPR-HBFSDRIKSA-N 465.645 2.430 30 10 JEEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1760359957 ZKHJBEAFLDPJJR-HSZRJFAPSA-N 453.635 2.461 30 10 JEEE C=C(Cl)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(NC(C)=O)CC1 1760373784 BUOUGJWEVYCMER-QGZVFWFLSA-N 468.986 2.444 30 10 JEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(F)c(F)c1 1760440978 VJNCJKYCFOUPRJ-SFHVURJKSA-N 455.531 2.492 30 10 JEEE C=CCCCn1c(Cc2cccnc2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1760441624 OTNASTUXRJYCSK-UHFFFAOYSA-N 450.547 2.287 30 10 JEEE C=CCN(CCOC)c1nnc(-c2cnccn2)n1Cc1cc(F)ccc1N1CCOCC1 1760502622 GLIZOZZBVVNLJU-UHFFFAOYSA-N 453.522 2.398 30 10 JEEE C=CCNC(=O)Cn1c(N2CCN(C3CCCCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1760529032 UYBZHDPHQDUGRV-XMMPIXPASA-N 460.623 2.076 30 10 JEEE C=CCOc1ccc(Cn2c([C@H]3COCCN3C(=O)OC(C)(C)C)nnc2N2CCNC(=O)C2)cc1 1760529475 HSORJDNWUPPVRF-HXUWFJFHSA-N 498.584 2.136 30 10 JEEE CCOCc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1C[C@@H]1CCCCS1(=O)=O 1766400406 CCHNXJUUTLVPIN-SFHVURJKSA-N 476.578 2.119 30 10 JEEE CN(c1nnc(COc2ccc(C#N)cc2)n1CC1(C)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1766993868 DMSYHROKNSWBBX-GOSISDBHSA-N 459.572 2.169 30 10 JEEE COc1ccc(OCc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H](C)CN2CCOCC2)cc1 1768732962 AYTGBYLPYPSHQQ-MBSDFSHPSA-N 458.538 2.276 30 10 JEEE N#C[C@H]1CN(c2nnc(COc3ccc(Br)cc3)n2CCN2CCSCC2)CCO1 1770751214 CHHKBQOPBYXDCQ-SFHVURJKSA-N 493.431 2.397 30 10 JEEE CN(C)C1CCN(C(=O)[C@H](Cc2c[nH]c3ccccc23)N=C2NS(=O)(=O)c3ccccc32)CC1 1869928413 WRIXRPLDJRRQRA-QFIPXVFZSA-N 479.606 2.370 30 10 JEEE Cc1nc2ccc(C(=O)Nc3c(C#N)nnn3-c3ccc4c(c3)C(=O)N(C)C4=O)cc2nc1C 1870153476 VVAXQONGCXCKSU-UHFFFAOYSA-N 452.434 2.177 30 10 JEEE COCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CN1CCN(c2ncccn2)CC1 1870349088 ZOCAWIXQAOMVDI-UHFFFAOYSA-N 460.538 2.058 30 10 JEEE C=CCn1cc(OCC(=O)Nc2ccccc2C)c(=O)cc1CN1CCN(c2ncccn2)CC1 1870708106 UMIRSRSCMZOODF-UHFFFAOYSA-N 474.565 2.472 30 10 JEEE Cc1ccc(Cn2cccc(C(=O)N3CCC(OCC#CCN4CCN(C)CC4)CC3)c2=O)cc1 1889587771 SOYFCGPSCCDCPJ-UHFFFAOYSA-N 476.621 2.077 30 10 JEEE CC1(C)OB(c2c[nH]nc2C(=O)N[C@H]2CCCN(C(=O)OCc3ccccc3)C2)OC1(C)C 2247829274 SRTDLHWWJJAINU-KRWDZBQOSA-N 454.336 2.240 30 10 JEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H]1COC[C@@H]1NC(=O)OC(C)(C)C 2255614528 KIYJUNRQIRSYHO-CABCVRRESA-N 452.382 2.378 30 10 JEEE CC1(C)OB(c2cnc(C(=O)N[C@@]3(C)CCN(C(=O)OCc4ccccc4)C3)nc2)OC1(C)C 2255650563 CNUMWWZXDYFMJT-DEOSSOPVSA-N 466.347 2.307 30 10 JEEE CN(C[C@H](O)COCc1ccccc1)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2255750025 CUFMTAZIBKNBTG-KRWDZBQOSA-N 467.418 2.246 30 10 JEEE CN(Cc1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(=O)CN(CCO)C(=O)OC(C)(C)C 2256623978 JCEWRFLIDSZEQH-UHFFFAOYSA-N 454.398 2.235 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)[C@H]2COC[C@@H]12 2267287686 XMAODCVULSGRPW-IMJJTQAJSA-N 464.393 2.411 30 10 JEEE CC(C)(C)OC(=O)NC1(CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2F)COC1 2267414377 NJYWAJOVALMKKL-UHFFFAOYSA-N 450.316 2.148 30 10 JEEE CO[C@H]1C[C@H](CNC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)N(C(=O)OC(C)(C)C)C1 2267547506 LQTRTNYAGJKBCM-KGLIPLIRSA-N 467.397 2.197 30 10 JEEE CC(C)[C@H](CNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2267706417 YHSABLHCAPZANR-AWEZNQCLSA-N 489.469 2.411 30 10 JEEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)[C@@H]2C[C@@H]21 2267713354 AOOWVGXECPYXOR-DLBZAZTESA-N 464.393 2.368 30 10 JEEE COc1ccc(NC(=O)[C@H](CNC(=O)OC(C)(C)C)OC)c(B2OC(C)(C)C(C)(C)O2)c1 2268664727 XCSNUNRGNRVUAD-KRWDZBQOSA-N 450.341 2.473 30 10 JEEE Cn1ncc(C(=O)N2CCC[C@@H]3[C@H]2CCN3C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2281827397 VKUXCNWXTAJMBN-IAGOWNOFSA-N 460.384 2.333 30 10 JEEE Cn1ncc(C(=O)N2CCC[C@@]23CCN(C(=O)OC(C)(C)C)C3)c1B1OC(C)(C)C(C)(C)O1 2281827650 YLDWRNDXCRBBKM-QHCPKHFHSA-N 460.384 2.335 30 10 JEEE Cc1cnc(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)c(B2OC(C)(C)C(C)(C)O2)c1 2281948983 DFRWQDICCLXEFL-MRXNPFEDSA-N 461.368 2.055 30 10 JEEE C[C@H](CCCN(C)C(=O)OC(C)(C)C)N(C)C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2281952225 TXXYOTLITAYPAL-OAHLLOKOSA-N 465.404 2.222 30 10 JEEE C[C@H]1CN(Cc2ccccc2)C[C@@H](C)N(C(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)C1 2281952676 ZPIBOGGEFNIHLZ-ZWKOTPCHSA-N 453.396 2.097 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2CCO[C@]2(CNC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C1 2281995613 FKDJNBAOHCVIMA-JLCFBVMHSA-N 479.408 2.198 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H]2CN(C(=O)c3ncc(B4OC(C)(C)C(C)(C)O4)cn3)CC[C@@H]21 2282030099 AJYYVCNQJRJBMT-RDJZCZTQSA-N 458.368 2.247 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@@H]3[C@H](CCN3C(=O)OC(C)(C)C)C2)n1 2282033993 BKIMSDFXVODFKJ-NVXWUHKLSA-N 460.384 2.191 30 10 JEEE Cn1cc(C(=O)N2CC[C@H](C(C)(C)NC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2282040407 JAKARWUQZJBMGA-HNNXBMFYSA-N 462.400 2.485 30 10 JEEE Cn1cc(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 2282040968 QBRTZUXHSYDSGY-UAGQMJEPSA-N 460.384 2.237 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1C[C@@H](O)C[C@H]1CNC(=O)OC(C)(C)C 2282122754 LKVMQUPHOCDWEF-ROUUACIJSA-N 460.380 2.394 30 10 JEEE Cn1nc(C(=O)N2C[C@H]3C[C@H]2CN(C(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2282548748 ZVIHVHRBDBNNJL-KBPBESRZSA-N 480.802 2.454 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCC3(CN(C(=O)OC(C)(C)C)C3)C2)n1 2282591510 QSVDIYWXJVKBHT-UHFFFAOYSA-N 460.384 2.285 30 10 JEEE CN(Cc1ccccc1)C1(CNC(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)CCCC1 2282617910 NFFIEEAMHIXNJJ-UHFFFAOYSA-N 453.396 2.289 30 10 JEEE CC(C)(C)OC(=O)N1CC2(CCOCCN2C(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C1 2282621813 XEOXTGAPZNVNPO-UHFFFAOYSA-N 479.408 2.294 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H]2OCCN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)c[nH]3)[C@H]2C1 2282623761 QVXONYUFTSLVRT-ROUUACIJSA-N 461.368 2.164 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H]1C(=O)NCCc1ccccc1B1OC(C)(C)C(C)(C)O1 2283973137 UMCSCUYUUVJSNE-PKOBYXMFSA-N 460.380 2.015 30 10 JEEE Cc1nc(NC(=O)[C@H]2[C@H](CNC(=O)OC(C)(C)C)C2(F)F)ncc1B1OC(C)(C)C(C)(C)O1 2283978053 XRLDFEGJENYKCE-GXTWGEPZSA-N 468.310 2.429 30 10 JEEE C[C@H](c1nscc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)[C@@H](CN(C)C)NC(=O)OC(C)(C)C 2283979472 NMJXUWUYHRCFEE-GDBMZVCRSA-N 482.456 2.417 30 10 JEEE CN(C[C@]1(O)CCCN(C(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C1)C(=O)OC(C)(C)C 2286339169 NJENFWBCGMOFKG-JOCHJYFZSA-N 481.424 2.276 30 10 JEEE COC(=O)c1[nH]c(C)c(C(O)=C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(OC)c(OC)c2)c1C 2296091574 UVSFJXXWEWRHOR-OAQYLSRUSA-N 485.537 2.419 30 10 JEEE C=CCOC(=O)CCN1C(=O)C(=C2SC(=S)N(CCC(=O)OCC=C)C2=O)SC1=S 2297451170 MOPLANLKFDKOHQ-UHFFFAOYSA-N 486.618 2.157 30 10 JEEE COc1cccc([C@@H]2C(=C(O)c3ccco3)C(=O)C(=O)N2CCCN2CCOCC2)c1OC 2297740699 FWYWRCWFWKSGFW-HXUWFJFHSA-N 456.495 2.441 30 10 JEEE Cc1scc(C(=O)N(C)C[C@@H](O)CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2320453355 BZNPOCPZNVBOHT-AWEZNQCLSA-N 454.398 2.313 30 10 JEEE COC(=O)c1ccc(C=Nn2c(CCc3cccc(OC)c3)nnc2SCC(N)=O)cc1 2328622062 QFIYDXSFBHDKAI-UHFFFAOYSA-N 453.524 2.318 30 10 JEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](CNC(=O)[C@@H]2C[C@H]2B2OC(C)(C)C(C)(C)O2)[C@H]1OC 2334271907 KBBOAHXUADLZTA-NQNKBUKLSA-N 454.373 2.234 30 10 JEEE CN(C)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1Oc1cc(B2OC(C)(C)C(C)(C)O2)c(F)cn1 2345742700 ZYFCVEZSNFMSNR-IRXDYDNUSA-N 451.348 2.448 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 2362353055 IMOSJEOMNOKRMW-MRXNPFEDSA-N 462.400 2.486 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]3C[C@H]23)n1C 2362488238 UDDZTEOYTDBYNS-BZUAXINKSA-N 460.384 2.155 30 10 JEEE COc1ccc(CNC(=O)CSc2nnc(N/N=C/c3c(C)nn(C(C)C)c3C)n2N)cc1 20805357 NTNLEGPUJNOMHC-BHGWPJFGSA-N 471.591 2.249 30 10 JEEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)CCCN2C(=O)NC3(CCCC3)C2=O)cc1 95949696 VQGPAEDBGJUERH-XIEYBQDHSA-N 475.571 2.083 30 10 JEEE CCOC(=O)NC(=O)/C(=C\Nc1ccc(N/C=C(/C(C)=O)C(=O)NC(=O)OCC)cc1)C(C)=O 100219555 GMCRWAROBDQQBC-WHYMJUELSA-N 474.470 2.002 30 10 JEEE Cc1nc2ccccn2c1/C(O)=C1/C(=O)C(=O)N(CCN2CCOCC2)[C@@H]1c1cccs1 103106775 CGWYFSHDEGGABQ-HWCXCKHPSA-N 452.536 2.458 30 10 JEEE COc1cccc([C@@H](CNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)N2CCCC2)c1 514458868 DTUARFFUESJJQA-HSZRJFAPSA-N 497.621 2.420 30 10 JEEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1 521723905 AUKKSFCSGSSJRS-UHFFFAOYSA-N 486.550 2.276 30 10 JEEE CNS(=O)(=O)c1ccccc1N1CCN(C(=O)CSc2nc(C)c(C)c(C)c2C#N)CC1 524360210 GKIGHRAKWWVCRC-UHFFFAOYSA-N 473.624 2.228 30 10 JEEE CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC2CCN(c3nccnc3C#N)CC2)cc1 585227281 YBPFJOKJZVWOPY-UHFFFAOYSA-N 456.572 2.025 30 10 JEEE N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2ccccc2)c(=O)n1-c1ccc2c(c1)OCCO2 590994654 HEZORKUFNLDPOX-UHFFFAOYSA-N 473.554 2.232 30 10 JEEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC1CCN(C(=O)CC(F)(F)F)CC1 726949415 YTKXLDLKERPNFZ-MRXNPFEDSA-N 488.532 2.344 30 10 JEEE C=CCn1nc(C)c(C=NNc2nnc(SCC(=O)Nc3ccc(F)cc3F)n2N)c1C 1083875110 QJFPXLZRUOBRPF-UHFFFAOYSA-N 461.502 2.446 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)CCn2cc(C#N)c(O)nc2=O)[C@H](c2ccccc2)C1 1161126510 GOEFEUKYHJWBSK-SFHVURJKSA-N 453.499 2.031 30 10 JEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CN(CC(C)C)CCO1 1286375945 AWSWSMMVJDEZCA-UXHICEINSA-N 476.622 2.013 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@@H]1CCOC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1286395018 YQDLWGVMYLXZBE-ILWGZMRPSA-N 456.612 2.363 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC[C@@H](C)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1286396098 UFVGYPQDFWENOB-NJDAHSKKSA-N 463.648 2.063 30 10 JEEE C#CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1C[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1286397891 DMCHLPKVVABPQR-LTFXXXRZSA-N 477.631 2.332 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@](C)(OC)C1CC1 1286410676 VNIMLOPYVSUFKP-NTKDMRAZSA-N 457.575 2.474 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@]1(O)CCSC1 1286419049 WDPKTPWDWONICV-HSZRJFAPSA-N 456.568 2.302 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccn3C)n2CC2(O)CCCCC2)n1 1286471114 IRHWLSYFETUNIQ-UHFFFAOYSA-N 451.575 2.462 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CC(=O)NCC=C)CC1 1286487037 CIVOSUNEHXYTKU-HXUWFJFHSA-N 478.597 2.303 30 10 JEEE C#CCSCCn1c(-c2ccccc2F)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1286503936 KTEXFGWUFTURSY-UHFFFAOYSA-N 458.607 2.441 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1286553442 QCKSMTZBPKOQOQ-ZPAWYTMASA-N 450.580 2.368 30 10 JEEE C=C(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(CCOC)[C@H](CC)C1 1286592217 QZYUEHFLZVCTDD-GOSISDBHSA-N 461.636 2.361 30 10 JEEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1286607178 LTYMLCHJQJGBES-UHFFFAOYSA-N 469.634 2.447 30 10 JEEE C=CCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCOC2(CCOCC2)C1 1286708561 QLLIJAWEOKTMPU-UHFFFAOYSA-N 476.599 2.327 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CCCCC1 1286746468 YOCBWRQEIFLAGC-NRFANRHFSA-N 489.642 2.499 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCc2cc(OC)c(OC)cc2CC1 1286787227 CSWTVJSQNVCPPV-LJQANCHMSA-N 455.559 2.097 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1286824042 UIUBXOUGKWYVBJ-HXUWFJFHSA-N 496.655 2.170 30 10 JEEE CC(C)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)N(C)C)[C@H](C)C1=O 1287775498 AZMSCIHZNWYDJP-RTBURBONSA-N 453.591 2.372 30 10 JEEE CCc1nn(C)c(OC)c1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](C(=O)NC)C1 1292775514 BYKWWHHUKAYWGD-GOSISDBHSA-N 462.558 2.132 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCS(=O)(=O)CC=C 1300305095 SIAOQWYGQMFFAA-QGZVFWFLSA-N 468.583 2.124 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccc2c(c1)OCCCO2)[C@@H]1CCS(=O)(=O)C1 1300479126 IZWJBYBFOMGEPU-GOSISDBHSA-N 458.584 2.412 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(=C)Br 1300657041 DZDOCBGWIDYOHH-UHFFFAOYSA-N 482.404 2.190 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1Cc1cccc(C(N)=O)c1 1300657563 NPYDSLQSAMZIAB-UHFFFAOYSA-N 457.332 2.269 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(OC)c(Br)c2)CC1 1300681326 MWAWGZKGMKJVQR-UHFFFAOYSA-N 487.402 2.089 30 10 JEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 1300756243 JMTSUGSYVZRPMF-MSOLQXFVSA-N 471.562 2.135 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1301575983 OHGSONRKCKLVQQ-IBGZPJMESA-N 472.571 2.132 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1C[C@@H](OC)C(C)(C)C1 1301593231 KLKKJDZUSDMKMJ-GOSISDBHSA-N 452.552 2.458 30 10 JEEE CC(=O)N1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCN/C(O)=C2/N=CC=CC2=O)[C@@H](C)C1 1301723293 ZAKINFIJJSWTTC-FOVZNYCQSA-N 483.960 2.182 30 10 JEEE CC(C)Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCn1cc(Cl)cn1 1302953850 CWZISKSGMSJZNM-MRXNPFEDSA-N 454.970 2.403 30 10 JEEE CS(=O)(=O)c1ccc(S(=O)(=O)NCc2ccc(OCC#N)cc2)c(Br)c1 1309145273 CYXVOLRTDAALFK-UHFFFAOYSA-N 459.343 2.233 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1csc(C)c1)[C@@H]1CCS(=O)(=O)C1 1358966751 VZIMFCTZQRVOIO-LJQANCHMSA-N 458.613 2.185 30 10 JEEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 1359034110 CYDGTFQWRPKKDS-IBGZPJMESA-N 466.590 2.137 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCCN2CCOCC2)CC1 1359042808 VARTTWWSCNZUEG-UHFFFAOYSA-N 488.995 2.426 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccc(C)cc2OCCOC)CC1 1359047562 LMOFTUDBSDFTBV-JOCHJYFZSA-N 481.597 2.477 30 10 JEEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2ncccc2C#N)CC1 1359060205 NRHPNOGHAHCMNK-UHFFFAOYSA-N 492.634 2.229 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)COC)CC1 1359096255 YQSKOGMYRXAOHC-XLIONFOSSA-N 460.966 2.270 30 10 JEEE C=CCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1359220396 XYPMNMUNGZJZFS-UHFFFAOYSA-N 482.629 2.421 30 10 JEEE C=CCCOCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1359223608 QJLOQRVSZIOGCK-UHFFFAOYSA-N 466.502 2.033 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@]2(CNC(=O)C2)C1 1359292178 JLKKNRPJTYKISA-KOSHJBKYSA-N 452.559 2.054 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CC[C@H](C)[C@H](OC)C1 1359299088 UXFSIVIABLTAQD-FXAWDEMLSA-N 479.585 2.228 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1359328912 ROTIVIPSZGETCO-OAQYLSRUSA-N 489.642 2.185 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1359334648 MWWWVEDPPBCRMU-UXHICEINSA-N 473.599 2.014 30 10 JEEE Cc1cnn(CCn2c(CCN3CCN(c4ccccc4)CC3)nnc2N(C)C[C@@H](C)C#N)c1 1492627481 ADPKGWABRILOPY-NRFANRHFSA-N 461.618 2.444 30 10 JEEE CS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1505144013 HUDWDQSIGDHPCI-UHFFFAOYSA-N 459.963 2.169 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC[C@H](C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1507623127 OVLDEJUAFXNMJM-ICSRJNTNSA-N 457.600 2.237 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1CCc1ccc(OC)cc1OC)[C@H]1CCS(=O)(=O)C1 1507629926 QUXHOIRTTQWAFM-IBGZPJMESA-N 481.578 2.227 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1CCc1nccc(C(F)(F)F)n1)[C@H]1CCS(=O)(=O)C1 1507633238 DXQRAWZKZRGNDY-HNNXBMFYSA-N 470.521 2.155 30 10 JEEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1NC(=O)OC(C)(C)C 1507642587 LISDJLJIZHRLNL-KRWDZBQOSA-N 486.598 2.356 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@](C)(O)C2CC2)CC1 1507737193 ZSSGEJJSJQIHHR-QFIPXVFZSA-N 489.418 2.173 30 10 JEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](C(=O)N(C)c2ccccc2)C1 1507741716 ZGCVYLXXLPGVOM-LJQANCHMSA-N 466.611 2.370 30 10 JEEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1507838630 GERGONSHSONUMA-UHFFFAOYSA-N 489.378 2.215 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@@H]1c1nncn1C 1508075891 BTLZXJIPXKPLIF-MRXNPFEDSA-N 471.363 2.480 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(C(F)(F)F)cc1 1508093058 TYJFKBRALRPTHB-OAHLLOKOSA-N 471.505 2.138 30 10 JEEE C=CCSCCn1c(Cc2cn3ccccc3n2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1508165765 XPNRGVHSDLWPHX-GOSISDBHSA-N 460.629 2.449 30 10 JEEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)c2ccccn2)CC1 1508167158 IPNFBYZPRFXRKR-UHFFFAOYSA-N 466.615 2.416 30 10 JEEE CCOC[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N2CCOCC2)C1 1516638155 AKDMRWQOHCNJCQ-OAQYLSRUSA-N 482.585 2.231 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCNC(=O)C1CCC1 1539011477 BYMUDMKKQCYUES-HKUYNNGSSA-N 474.606 2.351 30 10 JEEE C#CCN(c1nnc(-c2cc(C)nc3ccccc23)n1CCCC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1539206822 WDLDFYOWGLJABG-LJQANCHMSA-N 494.621 2.297 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(OC)ccc2Br)n1CC(=O)N(C)CC 1539400083 ZITOIMKMKDVFFR-UHFFFAOYSA-N 464.364 2.281 30 10 JEEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCC(=O)N1CCCCCC1 1539417146 XXFYOSULOOHPEG-UHFFFAOYSA-N 494.644 2.331 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2ccc(Cl)nc2C1 1539517065 HPGJANZOOYICDC-OAHLLOKOSA-N 452.005 2.158 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)c2c(C)noc2C)CC1 1539847630 IMCOFNFMLVKHGQ-MAUKXSAKSA-N 464.592 2.176 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@H](Oc2ccccn2)C1 1540861881 JXOYCVORQBGZAR-LJQANCHMSA-N 495.971 2.216 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1540899499 QIDGSMWXCIXJFW-HZPDHXFCSA-N 497.371 2.423 30 10 JEEE Cc1cscc1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1542877550 AJUBHPANQVCPEF-UHFFFAOYSA-N 472.596 2.229 30 10 JEEE Cn1cnc(C(=O)N2CC3(CCN(c4ccc(C#N)c(C(F)(F)F)c4)CC3)C[C@H]2C(N)=O)c1 1548379931 LXUIVCPBMXYBCR-SFHVURJKSA-N 460.460 2.297 30 10 JEEE CSC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(C(N)=O)CC2)CCOCC1 1555868512 DECJXCIQCXBQAA-UHFFFAOYSA-N 470.599 2.343 30 10 JEEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H](c2ccc(C)cc2)[C@H](C)S(C)(=O)=O)c1 1561518960 KWDXRVCGFOZHGS-OXJNMPFZSA-N 450.582 2.364 30 10 JEEE C=CC[C@@H]1CCCN(C(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C\c2ccccc2)C1 1583961522 YULNUMKOMYIWGV-WASAWGCPSA-N 454.614 2.195 30 10 JEEE N#Cc1c(F)cccc1N1CCN(C(=O)C2(S(=O)(=O)c3ccccc3)CCOCC2)CC1 1587767006 DKKQNTIHWRNLRT-UHFFFAOYSA-N 457.527 2.369 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H](C1CCCCC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1588045995 VJWWZDLUNDBFCO-IRLDBZIGSA-N 472.659 2.421 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCc1c(OC)cc(OC)cc1OC)[C@H]1CCS(=O)(=O)C1 1588049272 DIXCCVPNZCREJC-KRWDZBQOSA-N 499.593 2.168 30 10 JEEE C#CCN(c1nnc(CC)n1C[C@@H]1[C@H](C)CCN1C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1588059354 MODJPHUNPYSJTA-FGTMMUONSA-N 465.620 2.113 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCN(C)C(C)C 1588186663 ZYPQNSIJFZHLTL-UHFFFAOYSA-N 455.632 2.350 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc(Cl)cc3)n2CC(=O)N(C)C)n1 1588723422 MSKAOZQEVTZIBS-UHFFFAOYSA-N 455.950 2.169 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2Cc2cccc(CN3CCOCC3)c2)CC1 1588884638 HWUMLFBCMVTBNW-UHFFFAOYSA-N 464.614 2.248 30 10 JEEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1588993505 JSNCIMPFXCPSFF-QFIPXVFZSA-N 498.653 2.072 30 10 JEEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](CNC(=O)c2ccccc2)C1 1589708619 QSWVCPGTVANPBC-ZWKOTPCHSA-N 460.604 2.111 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(S(=O)(=O)CC)CC1 1589731292 HWTLLPDJKCJDMY-UHFFFAOYSA-N 481.644 2.175 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cccc(OC)c2)CC1 1594241128 GSSICQIHSYKMBX-FQEVSTJZSA-N 461.588 2.070 30 10 JEEE C=CCC(C)(C)Cn1c(-c2noc3c2COCC3)nnc1N1CCC(NC(=O)COC)CC1 1594492271 XFNXCUQWPCZFJR-UHFFFAOYSA-N 458.563 2.340 30 10 JEEE C=CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1594667913 BHWIOVXIWDAPNX-INIZCTEOSA-N 481.022 2.298 30 10 JEEE C=CCCOCCn1c(Cc2ccccc2F)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1594820310 ZKQOURQSAGPGOB-LJQANCHMSA-N 456.522 2.073 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC(=O)NC(C)C 1595100890 WODDWMXYFNZAHH-HXUWFJFHSA-N 470.599 2.159 30 10 JEEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1595434598 JKJPJOUDBBTRJL-QGZVFWFLSA-N 471.631 2.025 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)ccc2Br)nnc1N(C)[C@@H]1CCOC1 1595496771 GSNCGCLWZRRJNW-CYBMUJFWSA-N 450.337 2.244 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 1595562205 QAAIKABFMHKIOH-UHFFFAOYSA-N 468.558 2.334 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1595595025 QFWMRASOTXNKRD-GOSISDBHSA-N 472.565 2.430 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)Cc1ccoc1 1595789639 YUSOOGKSJONXID-UHFFFAOYSA-N 454.512 2.424 30 10 JEEE C[C@H](CNC(=O)OC(C)(C)C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CCC#N)CC1CC1 1611627060 BXLWIXAZKLBRAV-AEFFLSMTSA-N 480.635 2.471 30 10 JEEE Cc1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(NS(C)(=O)=O)CC2)cn1 1612073965 DLKNPAAKASYVJH-UHFFFAOYSA-N 451.556 2.087 30 10 JEEE CCN(CC)C(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCOC[C@@H]2C)CC1 1615328607 HCEBKXUPEKSIFF-REWPJTCUSA-N 479.629 2.480 30 10 JEEE C=CCOCCNC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1 1622875043 RCBXFXVCNBTGSY-UHFFFAOYSA-N 452.577 2.022 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)s1 1625117187 CSARGAVFQUQHDT-CQSZACIVSA-N 456.611 2.378 30 10 JEEE C#Cc1ccc(C(=O)N2CC[C@@H]3[C@@H](C2)NC(=O)N3C2CCN(C(=O)OC(C)(C)C)CC2)nc1 1626484733 RRRMQQFTNMSZTG-WOJBJXKFSA-N 453.543 2.071 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H]1CCN(S(C)(=O)=O)C1 1649543129 OQIWPFJIENVNSF-INIZCTEOSA-N 471.587 2.278 30 10 JEEE C=CCOC[C@@H](NS(=O)(=O)c1cc(Br)ccc1Br)C(=O)OC 1661652736 HSYIQRPETROKAU-LLVKDONJSA-N 457.140 2.234 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2C[C@]2(N3CCOCC3)CCSC2)CC1 1690145926 AXOIQLMIRYSUAZ-RUZDIDTESA-N 488.702 2.040 30 10 JEEE C#CCSCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1690166076 UBCZADGVJWWASD-UHFFFAOYSA-N 493.655 2.191 30 10 JEEE C#CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](OCCOC)C1 1690174376 BUPOOLJKYTWIIW-RTBURBONSA-N 495.646 2.195 30 10 JEEE C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C(C)C)C1 1690228722 DFZYESLIXJJQEJ-HOTGVXAUSA-N 476.441 2.392 30 10 JEEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(N2CCNC2=O)CC1 1690345879 GASWUGKGVHLMSN-KRWDZBQOSA-N 496.012 2.333 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccnc2OCC(F)F)C1 1690700474 SPMBTMLZAJVNRZ-IRXDYDNUSA-N 483.541 2.049 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCC[C@@H](C(=O)OC)C1 1690722526 MMNSRZSWQZJGAM-QGZVFWFLSA-N 471.583 2.427 30 10 JEEE Cc1nn(C)c(C)c1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1693400081 FPTFBEDWOXNVFM-QGZVFWFLSA-N 494.625 2.452 30 10 JEEE CCOC(=O)N(C)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCO[C@@H]2C)CC1 1695948906 HVQANBMGFYJGFR-MZNJEOGPSA-N 468.558 2.414 30 10 JEEE COc1ccc(OC)c(Cn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@@H](C#N)C2)c1 1697478209 AZAVUVFVDKZXID-KRWDZBQOSA-N 468.539 2.064 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(F)cn1 1698048989 FGTBIHCXYHZGKX-IBGZPJMESA-N 484.557 2.287 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCNC(=O)c1ccco1 1705481605 JSFDEUJEHIWVBP-HNNXBMFYSA-N 453.499 2.452 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CN(CC(C)C)CCO1 1705481949 PHSWBYNWZXQJMA-QUCCMNQESA-N 459.616 2.163 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H]1CCC=CO1)[C@H]1CCS(=O)(=O)C1 1705560766 NFMWAHKAIQLXTG-SFTDATJTSA-N 483.594 2.467 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CC(C)(C)N1CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1705569588 ILNJHWAGIYIUOB-IRLDBZIGSA-N 484.670 2.401 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1CCc1cccc(C)n1)[C@H]1CCS(=O)(=O)C1 1705569595 FCBZOXLYKBKANB-QFIPXVFZSA-N 479.606 2.450 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1CC[C@]2(CCOC2)O1 1705625118 XJXFBZYOONTMJO-YADARESESA-N 456.543 2.386 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC2(C(=O)NCC)CCC2)CC1 1705633905 BLNLIXCDIDOFSS-UHFFFAOYSA-N 466.586 2.024 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H](C)Oc2cccc(C)c2)CC1 1705635090 QUOXUJZWVKJYBI-BWKNWUBXSA-N 453.587 2.461 30 10 JEEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1705663135 XJUFXZZIEALAJI-VXKWHMMOSA-N 495.697 2.257 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(-c2n[nH]c(C)n2)cc1 1705710890 TUBSVEINJNZTPD-OAHLLOKOSA-N 458.592 2.433 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cn2nc(C)cc2C)n1C[C@]1(O)CCN(C)C1 1705860305 GJJNDNXDCYYKPS-VWLOTQADSA-N 460.586 2.271 30 10 JEEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1705894000 KGQTXFBAWPBZBP-QMHKHESXSA-N 473.578 2.351 30 10 JEEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)Cc1cccc(F)c1 1705901062 ZHCHFAJHOJSODF-UHFFFAOYSA-N 471.562 2.316 30 10 JEEE C=CCOc1ccccc1Cn1c(CN2CCCC2=O)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1705913336 LIJDGTUUPSZDTE-HXUWFJFHSA-N 466.586 2.318 30 10 JEEE CC(C)(C)OC(=O)NCC(F)(F)Cn1c([C@@H]2CCCCO2)nnc1N1CCO[C@@H](C#N)C1 1706165373 IEXFDUNLFBRLMB-GJZGRUSLSA-N 456.494 2.408 30 10 JEEE CC[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1ccc(C#N)cc1)C1CC1)OC 1708796772 BLIQZPCPAHBCPL-RTWAWAEBSA-N 488.614 2.077 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CCC1CC(OCC)C1)[C@H]1CCS(=O)(=O)C1 1722364351 FZEVEPBJSWMWHJ-CKHPTIKVSA-N 457.600 2.096 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H](C)CN2CCOCC2)CC1 1722447266 KNIITDWUBVGLCZ-HXUWFJFHSA-N 499.059 2.456 30 10 JEEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 1722461930 VNUALRVTTAGFKT-HSZRJFAPSA-N 462.623 2.486 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCS(=O)(=O)CC1 1722491260 JIAHABINOSRBPT-UYAOXDASSA-N 473.599 2.363 30 10 JEEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1722524113 ODAAJIMEGQUYPK-BZSNNMDCSA-N 460.579 2.410 30 10 JEEE C=CC1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCN2CCCS2(=O)=O)CC1 1722575696 SAMSSUWEFBATHB-UHFFFAOYSA-N 461.588 2.400 30 10 JEEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1722584032 RPXIEFNAEMGLCK-FQEVSTJZSA-N 495.738 2.485 30 10 JEEE C=CCCOCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1722621353 ZAGPNZFOZVYEQA-LJQANCHMSA-N 487.992 2.010 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(C)(C)N2CCCCC2)C1 1722718101 HCEMDZANGGPKML-MOPGFXCFSA-N 451.637 2.226 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(N(C)C)CCCCC2)C1 1722718749 MNPAUCDHSTWBFU-RBUKOAKNSA-N 451.637 2.226 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)c1ccccc1C 1722728963 URTIRXOYFJMVDO-MSOLQXFVSA-N 466.629 2.287 30 10 JEEE C=CCSCCn1c(CC(C)C)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1722741615 RIDUBWJQLQWFLJ-SFHVURJKSA-N 457.666 2.027 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1CCN(CC(F)(F)F)CC1 1722867490 GSTWVUBHOUMUFF-HOCLYGCPSA-N 462.542 2.050 30 10 JEEE C[S@@](=O)C1(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CC[C@](F)(C#N)C2)CCC1 1731019857 CVOIGJPIQOTBCA-WWOZWPLTSA-N 465.576 2.092 30 10 JEEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CCNC(=O)c1ccccc1F 1740558606 UDBVKCWFOOPFGD-HNNXBMFYSA-N 454.531 2.297 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CCCCS2)c1 1740561580 GTWOVYZFMCBFFI-VQIMIIECSA-N 490.655 2.230 30 10 JEEE C#CCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1740584798 KICBSAXUMPJHPD-SFHVURJKSA-N 454.550 2.371 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1Cc1cc(F)ccc1OC)[C@@H]1CCS(=O)(=O)C1 1740615507 GAOAAIFMHUOFAC-LJQANCHMSA-N 491.589 2.019 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@H]1CCCCN1CCC)[C@H]1CCS(=O)(=O)C1 1740626095 JMNRKDWOJDVFTN-HKBOAZHASA-N 463.648 2.411 30 10 JEEE C#CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1740711327 LHUKFLFVMBGQSU-UHFFFAOYSA-N 477.594 2.141 30 10 JEEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC[C@@H](C(F)F)N1CCOCC1 1740897391 FXEIOZYPADXXSE-SFHVURJKSA-N 473.528 2.170 30 10 JEEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2N(C)CCCC2(C)C)C1 1746536660 GUUBFBYUQJLJPL-SFTDATJTSA-N 485.658 2.455 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CCCCOC)[C@@H]1CCS(=O)(=O)C1 1748819365 NSNSVBADXSVPNW-MRXNPFEDSA-N 452.527 2.200 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCn1ccnn1 1748847345 SJKGUACBXZQHFQ-LJQANCHMSA-N 452.563 2.147 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@H]2CCN(CCC)C2)CC1 1748999301 OVGAQPDEWZLLLU-OAQYLSRUSA-N 452.603 2.353 30 10 JEEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1nc(O)c2sccc2n1 1749413856 ZSPKBYNUBNZKEN-GFCCVEGCSA-N 451.578 2.201 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@H](OCCC)CC1 1749730734 OIGFCHHBPCAMAU-KRWDZBQOSA-N 479.603 2.392 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CCN(C(=O)c2ccco2)CC1 1749738705 VKSAJJUNXYGMER-UHFFFAOYSA-N 483.594 2.220 30 10 JEEE C#CCN(c1nnc(C2(c3ccccc3)CCC2)n1C[C@H](F)COC)[C@@H]1CCS(=O)(=O)C1 1760180846 LZBSGWRAXZURGV-VQTJNVASSA-N 460.575 2.359 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1CC1(O)CCC1)[C@H]1CCS(=O)(=O)C1 1760181076 PFKSZLLVRHZLSC-MOPGFXCFSA-N 488.610 2.359 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1CCNC(=O)[C@H](C)CCC)[C@@H]1CCS(=O)(=O)C1 1760184862 MTFJNRUHOKYZMG-WOJBJXKFSA-N 471.627 2.433 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCN(CC)C1 1760240627 XGDLEYWIPKIKNR-MJGOQNOKSA-N 462.595 2.009 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCCN2C[C@@H](C)C[C@H](C)C2)CC1 1760269996 RMCUXYZJVCZQSL-JAXLGGSGSA-N 456.635 2.116 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2C)CC1 1760358083 RDGFLKXSFQQZPG-HXUWFJFHSA-N 459.616 2.408 30 10 JEEE CCC(CC)NC(=O)c1nnc(N(C)[C@@H](C)CC#N)n1C[C@]1(N2CCOCC2)CCSC1 1762182696 HEVXFMWBODSRNO-HTAPYJJXSA-N 463.652 2.143 30 10 JEEE CCCn1nc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@](C)(O)CCC)c2ccccc2c1=O 1766172022 HCILYQIPCIIZFS-OSPHWJPCSA-N 465.558 2.345 30 10 JEEE CCCn1nc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@](C)(O)CCC)c2ccccc2c1=O 1766172023 HCILYQIPCIIZFS-XDHUDOTRSA-N 465.558 2.345 30 10 JEEE CCO[C@@]1(c2nnc(N(C)Cc3ccc(C#N)cc3)n2C[C@H](C)N2CCN(CC)CC2)CCOC1 1767388485 FLWKNGJOBPKEPY-LVXARBLLSA-N 481.645 2.464 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(CN2CCCC2=O)n1C[C@@]1(C)CCCO1 1771099861 CQCHYAIYIMRWFA-XMMPIXPASA-N 452.559 2.494 30 10 JEEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2nccc(C(F)F)n2)CCN1S(C)(=O)=O 1771500142 FQKVFKMPIPLUBV-AWEZNQCLSA-N 488.524 2.063 30 10 JEEE N#CCC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCn2cc(Br)cn2)CC1 1771539505 ACBCXULEKAOETM-INIZCTEOSA-N 461.368 2.409 30 10 JEEE CN1C(=O)c2ccc(-n3nnc(C#N)c3NC(=O)c3ccccc3I)cc2C1=O 1870140092 ZGKCPJDDBUIOKD-UHFFFAOYSA-N 498.240 2.222 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NC2CCCCC2)cn1CCN1CCOCC1 1870491921 AQBBKEWRBAEVRO-UHFFFAOYSA-N 472.630 2.182 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCCc2ccccc2)cn1CCN1CCOCC1 1870519523 VLOPYRWMTIHVHI-UHFFFAOYSA-N 494.636 2.092 30 10 JEEE NC1=C(c2nc3c(s2)CCc2ccccc2-3)C(=O)CN1CCc1ccc(S(N)(=O)=O)cc1 1872796135 NBTKJRLTVIKSPU-UHFFFAOYSA-N 466.588 2.311 30 10 JEEE C=CCn1c(C(=O)N2CCN(c3ncccn3)CC2)cc2c(NCCN(CC)CC)ncnc21 1875229426 YTCYPRAKQPJSSH-UHFFFAOYSA-N 463.590 2.123 30 10 JEEE O=C(NCC#CCN1CCCC1)[C@H]1CCCCN1S(=O)(=O)c1ccc(Br)cc1 1890710315 KKKZPHFVXRKAOZ-LJQANCHMSA-N 468.417 2.208 30 10 JEEE CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2180966216 BKONCQUEJPEJJX-QGZVFWFLSA-N 462.352 2.058 30 10 JEEE Cc1cc(S(=O)(=O)NOCCNC(=O)OC(C)(C)C)sc1B1OC(C)(C)C(C)(C)O1 2247954387 YBBHNNMECWZGRH-UHFFFAOYSA-N 462.399 2.090 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](NC(=O)c2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2255801006 IVBPYPMGKOLRRC-GJZGRUSLSA-N 452.382 2.147 30 10 JEEE C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1cc(B2OC(C)(C)C(C)(C)O2)cs1 2256619431 YOPJBGLMORWPQZ-CZUORRHYSA-N 454.398 2.280 30 10 JEEE CC(C)(C)OC(=O)NCCN1CCN(C(=O)c2csc(B3OC(C)(C)C(C)(C)O3)c2)CC1 2267197530 ZGWGDYUSCKSKFD-UHFFFAOYSA-N 465.425 2.330 30 10 JEEE COC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2267365653 SUORJXXGYCEWCM-UHFFFAOYSA-N 463.336 2.489 30 10 JEEE CCc1nc(C(=O)NC[C@@](C)(CO)NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2267475769 ONSGQXFVQBPWAP-NRFANRHFSA-N 469.413 2.010 30 10 JEEE CN(C[C@]1(O)CCN(Cc2ccccc2)C1)C(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2267485554 HJAIOXMXUWNWTP-HSZRJFAPSA-N 457.405 2.151 30 10 JEEE Cn1ncc(C(=O)NC2CC3(C2)C[C@H]3NC(=O)OCc2ccccc2)c1B1OC(C)(C)C(C)(C)O1 2267493480 JBYHQCWCANSENQ-WHEQYPTASA-N 480.374 2.297 30 10 JEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2267547194 HJQWPTXCYPSJMP-HUUCEWRRSA-N 467.397 2.197 30 10 JEEE C[C@H]1CCN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C[C@H]1NC(=O)C(F)(F)F 2267712286 DECIVEJXLIFONE-WCQYABFASA-N 482.355 2.125 30 10 JEEE CN(CC1(NC(=O)OC(C)(C)C)CC1)S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2267721323 PIZUCKZFIBLXQZ-UHFFFAOYSA-N 467.397 2.059 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](O)C[C@@H]1C(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)cs1 2268650548 JPTHAWYVVBQGPM-DOTOQJQBSA-N 466.409 2.424 30 10 JEEE CC(C)(C)OC(=O)N1[C@H](COc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)CCS1(=O)=O 2269063461 IHPPHJOQKYBYOS-AWEZNQCLSA-N 472.344 2.238 30 10 JEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CCN(C(=O)OC(C)(C)C)[C@H](CCO)C1 2281800748 NGMKOSRLXFYTPF-MRXNPFEDSA-N 464.368 2.331 30 10 JEEE Cc1c(C(=O)N2CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281803008 RLHNNHJCMZUQGJ-CVEARBPZSA-N 462.400 2.403 30 10 JEEE Cn1nc(C(=O)N2CC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)cc1B1OC(C)(C)C(C)(C)O1 2281979569 DWVKMQOJOVYMLN-HSZRJFAPSA-N 460.384 2.192 30 10 JEEE Cc1ccnc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)c1B1OC(C)(C)C(C)(C)O1 2281994063 KFCLFSKNMABGPS-MRXNPFEDSA-N 456.352 2.274 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H](CNC(=O)OC(C)(C)C)C(F)(F)F)n1 2282041814 BRUIMCPZFCGAGD-GFCCVEGCSA-N 476.305 2.152 30 10 JEEE CCO[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1NC(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2282177647 AFTBIVBBWZTQCA-NUJGCVRESA-N 461.368 2.181 30 10 JEEE CC1(C)OB(c2ccccc2S(=O)(=O)NCC2CCN(C(=O)C(F)(F)F)CC2)OC1(C)C 2282350095 INNRNBFMGJEKLP-UHFFFAOYSA-N 476.326 2.065 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)c(F)c2)C1 2282479066 MFVCVYWJHDRILO-INIZCTEOSA-N 464.343 2.491 30 10 JEEE CCn1cc(C(=O)N[C@]23CCN(C(=O)OC(C)(C)C)C[C@H]2C3)nc1B1OC(C)(C)C(C)(C)O1 2282541410 XMMKZNFMKGSDTR-CMJOXMDJSA-N 460.384 2.332 30 10 JEEE C[C@H]1CN(C(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)C[C@@]1(C)CNC(=O)OC(C)(C)C 2282569643 USFMNBNQERXJRA-NPMXOYFQSA-N 462.400 2.342 30 10 JEEE COCC[C@H](CNS(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1)NC(=O)OC(C)(C)C 2282828517 PLZCIKNYFYHEOT-QGZVFWFLSA-N 484.424 2.194 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@H]2NS(=O)(=O)c1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2282844974 LGKZNGJBRGGMBZ-BVGQSLNGSA-N 482.383 2.411 30 10 JEEE COC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2cc(B3OC(C)(C)C(C)(C)O3)ccc2C1 2283926113 JLFADQAATFZUNA-LJQANCHMSA-N 460.380 2.410 30 10 JEEE Cn1ncc(C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)c1CNC(=O)OC(C)(C)C 2283950819 PFVNSTYJOFRMCH-UHFFFAOYSA-N 457.340 2.391 30 10 JEEE CC1(C)OB(c2cc(S(=O)(=O)N[C@@H](COCc3ccccc3)C(=O)O)ccc2F)OC1(C)C 2284411322 IOZYUCHWMBNNOQ-IBGZPJMESA-N 479.335 2.073 30 10 JEEE C[C@@H](OCc1ccccc1)[C@@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1O)C(=O)O 2284476485 LMWLLUVJGWYWHQ-FOIQADDNSA-N 455.316 2.480 30 10 JEEE COc1ccc(OC)c(NC(=O)CSc2n[nH]c(=NN=CC=Cc3ccccc3)n2N)c1 2313701681 ZJSBAPLHYONJPT-UHFFFAOYSA-N 453.528 2.273 30 10 JEEE COCCN1CC(=O)C(c2nc(C)cs2)=C1NC(=O)C=Cc1ccc(OC(C)=O)c(OC)c1 2326878636 PMHOJDDQFQYAPU-UHFFFAOYSA-N 471.535 2.415 30 10 JEEE COc1cccc(C=Nn2c(CNC(C)=O)nnc2SCC(=O)Nc2ccccc2F)c1O 2330718870 BITSSIAMNTXVKF-UHFFFAOYSA-N 472.502 2.381 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)N1CC[C@@](C)(B2OC(C)(C)C(C)(C)O2)C1 2342484409 BVPITUKLNILJEY-YCRPNKLZSA-N 474.429 2.399 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@]23CC[C@H]2CN(C(=O)OC(C)(C)C)C3)n1C 2362483080 LWEMCLYYCDDABK-NPMXOYFQSA-N 460.384 2.157 30 10 JEEE COc1ccc(NC(=O)[C@H]2COC[C@H]2NC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2365287838 FQJRJZHLYHWKSF-DOTOQJQBSA-N 462.352 2.473 30 10 JEEE Nn1c(N/N=C/c2cc(Br)ccc2O)nnc1SCC(=O)NCc1ccccc1 21319343 ZRJKXOGJQCRPEN-LSHDLFTRSA-N 476.360 2.315 30 10 JEEE CCCCn1c(N2CCN(C)CC2)c(/C=C2/SC(=S)N(CCOC)C2=O)c(C)c(C#N)c1=O 33812710 YLLKBZQQSHJALY-XMHGGMMESA-N 489.667 2.428 30 10 JEEE C=CCN1C(=O)N[C@@H](c2ccccc2Cl)C2=C1CN(CC(=O)NCCc1ccccn1)C2=O 35965322 DRSWPPGJYUUCOA-QFIPXVFZSA-N 465.941 2.443 30 10 JEEE N#Cc1cccnc1N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2I)CC1 106284415 PARNTSLGRNPLLB-UHFFFAOYSA-N 463.235 2.428 30 10 JEEE COc1ccc(C(=O)N=C2S[C@H]3CS(=O)(=O)C[C@H]3N2Cc2ccc3c(c2)OCO3)cc1 254698806 DCZYNIODNOFXNH-APWZRJJASA-N 460.533 2.335 30 10 JEEE COc1cc(S(=O)(=O)N2CCOCC2)ccc1N=Cc1cc(OC)c(OC)c(OC)c1 254772034 UUNIADKNQUYPTG-UHFFFAOYSA-N 450.513 2.493 30 10 JEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(Cl)c2Cl)c(=O)n1C[C@@H]1CCCO1 514475156 PGCOSABFJQEDDX-AWEZNQCLSA-N 464.374 2.201 30 10 JEEE N#Cc1ccc(CNS(=O)(=O)c2ccc(S(=O)(=O)NCC(F)(F)F)cc2)c(F)c1 609233561 MAKGSOBMPROZHQ-UHFFFAOYSA-N 451.423 2.016 30 10 JEEE C=CCn1c(=C(C#N)C(=O)c2ccccc2F)sc(=Cc2cc(OC)c3c(c2)OCCO3)c1=O 654765945 SXNMATOGTMPPPP-UHFFFAOYSA-N 478.501 2.401 30 10 JEEE CC1(C)OB(c2cccc(CNS(=O)(=O)CCCN3C(=O)c4ccccc4C3=O)c2)OC1(C)C 704311069 TUCJSYUERXXUJY-UHFFFAOYSA-N 484.383 2.092 30 10 JEEE CCn1cc(-n2c(=C(C#N)C(=O)C(C)C)sc(=Cc3cc([N+](=O)[O-])ccc3Cl)c2=O)cn1 726180629 PPPCONBNWUGUJA-UHFFFAOYSA-N 471.926 2.405 30 10 JEEE CC(C)Cn1c(=C(C#N)C(=O)N[C@@H]2CCCC[C@H]2C)sc(=Cc2cnn3ccccc23)c1=O 729671998 SKTXNCVXWUKWRK-YLJYHZDGSA-N 463.607 2.411 30 10 JEEE COc1cccc(N2CCN(/C(=N/[C@H]3CCCC[C@@H]3N)Nc3ccc(S(N)(=O)=O)cc3)CC2)c1 1088685035 CZVVCARKZCJKNI-GOTSBHOMSA-N 486.642 2.203 30 10 JEEE C#C[C@H](NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Br)C1CCOCC1 1131257259 NLYFWGHNOHQRKV-SFHVURJKSA-N 455.374 2.392 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1286271923 WTRWHPJSGLQXDT-DOTOQJQBSA-N 458.529 2.308 30 10 JEEE C#CCN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1286360671 ILFDXEATPTVNFA-CVEARBPZSA-N 451.980 2.422 30 10 JEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CSCCS1 1286365888 MGGQNKKNLFFNCC-INIZCTEOSA-N 451.643 2.113 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCN1CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1286380118 AGRJUWUYJUNXQJ-DOTOQJQBSA-N 495.447 2.147 30 10 JEEE C#CCN(c1nnc(-c2ccccc2F)n1Cc1ccc(NC(C)=O)nc1)[C@@H]1CCS(=O)(=O)C1 1286386942 KEPLOSXIKVHLTJ-GOSISDBHSA-N 482.541 2.113 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 1286394273 IAWYRMCZTZMUSC-FPOVZHCZSA-N 458.584 2.280 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCCN(CC)S(C)(=O)=O)CC1 1286474100 AHKYRDVTPDRUMW-UHFFFAOYSA-N 495.049 2.034 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2CC(=O)NC2CCCCC2)CC1 1286483871 BOVQTYAURQAIJD-UHFFFAOYSA-N 454.550 2.200 30 10 JEEE C#CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1286498955 GHJPNQZZBIEATH-GOSISDBHSA-N 476.624 2.486 30 10 JEEE C=C(Br)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](OCCOC)C1 1286530443 MSTDQHMUWAGKCW-CQSZACIVSA-N 451.325 2.076 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1286564172 MIVLRUDATZZMDV-UTKZUKDTSA-N 494.687 2.475 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCCCS2(=O)=O)C1 1286813044 QQURVLAIPBVDEH-IAGOWNOFSA-N 479.628 2.018 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C2CCC2)CC1 1286815369 SPUVVOVXPKENFC-UHFFFAOYSA-N 483.436 2.311 30 10 JEEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2cc(F)ccc2C1 1286831994 NURXIXGQQBULNG-LJQANCHMSA-N 481.619 2.232 30 10 JEEE CC1(C)CN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cc(CO)nn2)CC(C)(C)O1 1289030569 DVCBTQABXDOVRP-UHFFFAOYSA-N 450.547 2.385 30 10 JEEE CCN(CC)C(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCOCC2)CC1 1295346861 BZBUAVGDFFNLRK-UHFFFAOYSA-N 480.617 2.123 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cc3ccccc3o2)n1CCNS(=O)(=O)Cc1ccon1 1300281198 BTBHVGGLGNTDFK-OAHLLOKOSA-N 454.512 2.257 30 10 JEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1(O)CCCCCC1 1300528281 UEPPPJNQZICNRQ-UHFFFAOYSA-N 454.600 2.396 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1CC1CCN(CCN(C)C)CC1 1300650251 ZTDYXZBVNHPHRG-HSZRJFAPSA-N 481.620 2.282 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2ccc3c(c2)CCCN3C)CC1 1300716191 KDUAHHNREVCDKL-HXUWFJFHSA-N 494.640 2.399 30 10 JEEE C#CCSCCn1c(-c2ccccc2C)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1300751713 OWOSSCSAJLETHO-HXUWFJFHSA-N 489.667 2.251 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2noc3c2COCC3)nnc1N(C)CC(=O)NC(C)(C)C 1300880265 HQIUOSIYGLSPNP-QRWLVFNGSA-N 458.563 2.338 30 10 JEEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1CCc2ccccc21 1300990887 NEQHHMGXQPWBKC-SFTDATJTSA-N 475.615 2.327 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)c2nccs2)CC1 1301123830 FHRWHSINVYYFAA-NVXWUHKLSA-N 466.633 2.274 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CC[C@H](S(C)(=O)=O)C2)cc1 1301520715 MLIJXLGOKXKLMF-IBGZPJMESA-N 482.566 2.162 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CCC(C)C 1301587382 YZDXJGWMOHIUEK-UHFFFAOYSA-N 458.588 2.275 30 10 JEEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N(C)C2CCCCC2)CC1 1301608830 AIIKZLMBUBTHGW-FQEVSTJZSA-N 489.690 2.062 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(C)(=O)=O)C1 1302252990 IAPMZQQAZGZDSX-KRWDZBQOSA-N 474.587 2.212 30 10 JEEE C#CCN1CCC[C@@H](NC(=O)NCc2cccc(S(=O)(=O)NCc3cccc(F)c3)c2)C1 1311637760 FNJNQYAOSGQQEL-OAQYLSRUSA-N 458.559 2.201 30 10 JEEE CCCn1nc(-c2nnc(N(C)[C@@H](C)CC#N)n2CCS(=O)(=O)CC)c2ccccc2c1=O 1313452360 HACLYVHKUUOSLM-INIZCTEOSA-N 471.587 2.238 30 10 JEEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2cccc(C)n2)CC1 1316139789 CARNWNGFVCBHRZ-UHFFFAOYSA-N 461.570 2.443 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1CC(C)(C)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1358966217 JYLCCFKXCQVSQE-QGZVFWFLSA-N 465.620 2.161 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@H](C)Oc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1358966458 PJJZNRZTBWCEEA-LEWJYISDSA-N 482.610 2.234 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@H]1CCN(S(C)(=O)=O)C1 1358972199 XKPBWUHYVXJWDD-ROUUACIJSA-N 471.652 2.486 30 10 JEEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@]1(C)CN(C2CC2)C1=O 1358978101 CZZPXVBDVAFJNQ-SANMLTNESA-N 480.613 2.476 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN(C)Cc1ccccc1 1358994564 QCTMVJMBECSULA-QFIPXVFZSA-N 453.612 2.165 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(OC)CCCC1 1359023253 FDDBHMAORSNDQP-UHFFFAOYSA-N 450.543 2.237 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1CCNC(=O)c1cccs1 1359025614 UIMJDRGEXQAOFY-IBGZPJMESA-N 467.551 2.368 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 1359056884 NEMSLDITTMARHB-KRWDZBQOSA-N 497.687 2.382 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2sccc2C1 1359091834 SSHFQZGOHGGQJV-KYJSFNMBSA-N 451.618 2.494 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)c2cccc(Cl)c2)CC1 1359300190 WCZDZCHRZLIMBL-SFHVURJKSA-N 472.977 2.090 30 10 JEEE CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)N[C@H](C)c3cccc(C#N)c3)ccc2F)CC1 1462747742 ANDBCLBXXPGMDB-OAHLLOKOSA-N 458.515 2.041 30 10 JEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H]2C(=O)Nc2cc(C)ccc2OC)cc1 1465299045 AQPBRCVVVHYZPG-FQEVSTJZSA-N 455.536 2.158 30 10 JEEE CC#CC[C@@H](CO)NC(=O)NC[C@H]1CCCN1Cc1ccc(I)cc1 1469956282 MVDLGSSRLKYTPA-ZWKOTPCHSA-N 455.340 2.329 30 10 JEEE C[C@H]1CCCN([C@@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CC(=O)N2CCOCC2)C1 1493694298 BDKZZWPSMIADPY-PMACEKPBSA-N 465.602 2.232 30 10 JEEE CCCN1CC[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C(C)=O)CC2)C1 1500954379 GBKIKJLMSJGOEE-OAQYLSRUSA-N 451.575 2.129 30 10 JEEE CCOC(=O)N[C@H](CC(C)C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)CC#N 1502516596 FBOAPAHHLKGKGX-BRWVUGGUSA-N 454.597 2.079 30 10 JEEE COCCn1cc(Cn2c(COc3ccc(C)c(C)c3)nnc2N2CCO[C@@H](C#N)C2)cn1 1504897603 COFIXSNDZRZNOD-NRFANRHFSA-N 451.531 2.094 30 10 JEEE N#CCCN(CC1CC1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC(=O)N1CCCCCC1 1505324455 CTQLTXJQHCGNOS-LJQANCHMSA-N 462.620 2.103 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1(OCCOC)CCOCC1 1507524378 BAQSZRVTYDTXFP-GOSISDBHSA-N 456.543 2.386 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1OC(F)(F)F 1507539643 XCSJBBFOJBSCDU-RHSMWYFYSA-N 487.504 2.016 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2CCN2CCOC[C@H]2C)c1 1507551414 DRNGLVRXUXUOBY-HXUWFJFHSA-N 473.581 2.041 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@](C)(O)C(C)C)[C@H]1CCS(=O)(=O)C1 1507627031 IAANCUHITOTVLN-JXFKEZNVSA-N 451.980 2.027 30 10 JEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1C[C@@H](C)CN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1507627929 UNLSBCUCRBPLFG-GHTZIAJQSA-N 492.045 2.194 30 10 JEEE C#CCN(c1nnc(-c2ccc3ccccc3n2)n1CCCNC(=O)C(C)C)[C@H]1CCS(=O)(=O)C1 1507630266 VWBNAARUYAAXQG-FQEVSTJZSA-N 494.621 2.282 30 10 JEEE C#CCN(c1nnc(C2CCC2)n1C[C@@H](C(CC)CC)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1507632033 IKJILQJUWTWDJF-VXKWHMMOSA-N 477.675 2.309 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@H]1CC(F)(F)CO1)[C@@H]1CCS(=O)(=O)C1 1507639025 IRXAFJHPDNARPK-HZPDHXFCSA-N 484.500 2.047 30 10 JEEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCNC(=O)OC(C)(C)C 1507688579 CJVPACGOBBFETL-UHFFFAOYSA-N 454.579 2.436 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(=O)NCC(F)F 1507688842 CEOTXWFEXLDWTA-OAHLLOKOSA-N 454.522 2.233 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(OC)c(Br)c2)n1CCn1cncn1 1507707632 BAABAMABGRPECP-UHFFFAOYSA-N 460.336 2.094 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(Br)c3)n2CCC(=O)NCCC)CC1 1507719135 YMNOTDZRSLONCH-UHFFFAOYSA-N 459.392 2.379 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@]2(O)CCCC2(C)C)CC1 1507736298 ODZSKQDPJHMQBA-CLJLJLNGSA-N 487.645 2.226 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H](C(C)C)N2CCOCC2)CC1 1507742683 NPWXKKYIOQAPKZ-XMMPIXPASA-N 496.631 2.331 30 10 JEEE C#CCSCCn1c(CCc2ccccc2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1507754257 AKZMQXGXJFPWLV-NRFANRHFSA-N 466.611 2.196 30 10 JEEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1507774407 DOACXXKDBXABCG-UHFFFAOYSA-N 492.378 2.118 30 10 JEEE C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(F)c1 1507784005 FZZIFRMKYRMSGO-INIZCTEOSA-N 488.383 2.295 30 10 JEEE C=C(C)COCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(C(C)=O)C[C@H]1C 1507845204 YBMRVVPYWHVVDA-LJQANCHMSA-N 468.606 2.102 30 10 JEEE C=C(Cl)Cn1c(N2CCO[C@H](Cn3cc(C)cn3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1507873140 JRVWIWCLJHSGRJ-GHTZIAJQSA-N 450.971 2.482 30 10 JEEE C=CC1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCS(C)(=O)=O)CC1 1507910174 IFXLRSZVEWTEHG-CALCHBBNSA-N 453.609 2.496 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1NC(=O)CC1(C)C 1508005692 ZJCVDMQVOKSGQS-RTBURBONSA-N 457.600 2.288 30 10 JEEE C=CCOc1ccccc1Cn1c(-c2cnn(C)c2)nnc1N1CCN(CCOC)[C@@H](C)C1 1508104148 IPRNFWMMXWVQGB-IBGZPJMESA-N 451.575 2.449 30 10 JEEE C=CCSCCn1c([C@H]2CCCOC2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1508157996 CUBNUVVWXCIRNL-KRWDZBQOSA-N 457.666 2.342 30 10 JEEE CNC(=O)C(C)(C)Cn1c(-c2cccnc2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1517431871 BESPPIOEKQGUPK-UHFFFAOYSA-N 462.533 2.450 30 10 JEEE C#CCCCCCC(=O)N1CCN(S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)CC1 1525497079 MFXVTRSPIOOCMJ-UHFFFAOYSA-N 453.948 2.088 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@@](C)(O)c2ccco2)c1 1539038170 MFQAKYOOJYXGKQ-RUZDIDTESA-N 476.537 2.071 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(O)CCOCC1 1539263314 FDPIJMMWBVVICQ-LJQANCHMSA-N 457.575 2.007 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@](O)(c1ccccc1)C(F)(F)F 1539323610 HTBPQUCTBHPYRR-UWJYYQICSA-N 480.512 2.093 30 10 JEEE C#CCN1CCN(c2nnc(COCC)n2C[C@@H]2CC3(CC3)CN2C(=O)OC(C)(C)C)CC1 1539462612 JTUHEOKESVQHCK-IBGZPJMESA-N 458.607 2.359 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(OCC(C)C)cc2)CC1 1539489113 QVYOPNZDUNADKH-UHFFFAOYSA-N 492.624 2.449 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1CCN(C(C)=O)CC1 1539541116 ZSJNQINASGSLJK-RUZDIDTESA-N 498.653 2.446 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1540900914 MVEKKZIUEZQPSP-UHFFFAOYSA-N 479.610 2.458 30 10 JEEE CC[C@@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCCN1CCCCC1=O 1545533073 BNXCHWVNYCDGIJ-GOSISDBHSA-N 467.622 2.434 30 10 JEEE N#Cc1cn(CCNC(=O)c2cccc(NC(=O)CCCc3cccs3)c2)c(=O)nc1O 1557599680 CQBVFMCRCQDQKF-UHFFFAOYSA-N 451.508 2.273 30 10 JEEE CS(=O)(=O)c1ccc(C(=O)N2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)o1 1565661602 HSZDZVZTYXYJOB-OAHLLOKOSA-N 452.330 2.468 30 10 JEEE C=CC1CCN(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)c2ccccc2Br)CC1 1565744131 ZSNAAIZDMTWCRM-KRWDZBQOSA-N 457.390 2.407 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCN1CCCO[C@H](C)C1 1587580795 SDCMXNHDQQVHSA-VQTJNVASSA-N 488.658 2.154 30 10 JEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1587707113 WNWTZSNPICENKK-ULQDDVLXSA-N 468.624 2.041 30 10 JEEE C#CCCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCCN(C(C)=O)CC1 1587712455 VPAOSAHXYOWCFH-UHFFFAOYSA-N 471.631 2.409 30 10 JEEE C#CCCCn1c(-c2ccc(C)o2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1587827488 NWGQNWHDWNPZSB-UHFFFAOYSA-N 452.559 2.200 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CC1(COC)CCC1)[C@@H]1CCS(=O)(=O)C1 1588040804 QUFXCDSABVGYCO-QGZVFWFLSA-N 463.991 2.437 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2Cc2cccc(OCC(=O)N(C)C)c2)CC1 1588857275 LOFYPPKKHBWXFL-UHFFFAOYSA-N 478.622 2.201 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2csc([C@H](C)OC)n2)CC1 1588930490 XKSAZDFVOWHMLI-FUHWJXTLSA-N 472.615 2.350 30 10 JEEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1589427224 FDBZQNVGQBUNCP-AWEZNQCLSA-N 494.463 2.332 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1593747337 UVHSHJLVYBDPHZ-SFHVURJKSA-N 490.586 2.008 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(C(=O)CCC2CCCC2)CC1 1595522296 BFYPOUDLTQIBGY-UHFFFAOYSA-N 451.575 2.261 30 10 JEEE C=CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1595878176 JVMNGESKBRIJMZ-UXHICEINSA-N 462.664 2.224 30 10 JEEE CCc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1613806152 ICCPHIUEJONAIH-SFHVURJKSA-N 494.625 2.092 30 10 JEEE CCNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1615905079 FVQPHLKQTVVSHE-KRWDZBQOSA-N 491.518 2.484 30 10 JEEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCC[C@H](C)C2)C1 1615972420 CQWDCWQDTQSDDW-RXVVDRJESA-N 471.631 2.067 30 10 JEEE CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCN1CCCC[C@@H]1CC 1616910047 AWHGLFWTFLLMRR-FQEVSTJZSA-N 469.638 2.319 30 10 JEEE CN(C)C(=O)C1(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CC[C@](F)(C#N)C2)CCCC1 1617563955 HEBYSRCQFZENOD-QHCPKHFHSA-N 488.589 2.439 30 10 JEEE CO[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2CCS(=O)(=O)CC2)C1 1619502834 DUARGLZXONFKBE-FQEVSTJZSA-N 459.572 2.169 30 10 JEEE Cc1nsc(N2CCN(C(=O)Nc3ccccc3C(=O)N3CCN(C)CC3)CC2)c1C#N 1667119222 BEIOIYPYMJJBLF-UHFFFAOYSA-N 453.572 2.065 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CCn2cc(Cl)cn2)c1 1689868687 OIEPXGKODPUMKY-UHFFFAOYSA-N 468.949 2.023 30 10 JEEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1CCC(CC(=O)N2CCN(CC)CC2)CC1 1689885719 SDKROZFUTTXWBM-UHFFFAOYSA-N 466.634 2.253 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)COC 1690091226 MKKZBFSEDYMBOC-FQEVSTJZSA-N 493.605 2.063 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC2(O)CCCCC2)CC1 1690110501 OUXADENYQFVQKO-UHFFFAOYSA-N 471.005 2.312 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H]2CCCN2CC)CC1 1690140004 IBAKDSZNSOPVSS-NRFANRHFSA-N 480.613 2.412 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@H](c2c(F)cccc2F)N(C)C)CC1 1690146517 POWUXXJEKYCSFX-GHTZIAJQSA-N 486.567 2.329 30 10 JEEE C#CCSCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1690157636 LIXFTVCWEOKKGC-VQIMIIECSA-N 486.573 2.396 30 10 JEEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1690183336 UOVVYIQVMLHHGH-UHFFFAOYSA-N 479.610 2.174 30 10 JEEE C=C(Br)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCS(=O)(=O)CC1 1690220991 IBLUPODYXHRULZ-UHFFFAOYSA-N 457.350 2.106 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1690242899 DVHYZJLJJBEACG-UYAOXDASSA-N 456.595 2.244 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1690278610 HLUYKOPFQPWYPQ-QHCPKHFHSA-N 474.631 2.073 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCC[C@H]1C 1690577767 MGDOJLRIURYSMW-UYAOXDASSA-N 494.687 2.349 30 10 JEEE C#CCN(C)c1nnc(COc2ccccc2F)n1CCNS(=O)(=O)c1ccc(C)s1 1705557479 QTGGIGZLQYJHMX-UHFFFAOYSA-N 463.560 2.414 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCc1nccs1)[C@H]1CCS(=O)(=O)C1 1705563276 UKYYOIBLCLBWDZ-SFHVURJKSA-N 452.565 2.143 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1CCn1cc(Cl)cn1)[C@@H]1CCS(=O)(=O)C1 1705565461 USVSWXXECJPUHR-GOSISDBHSA-N 458.975 2.430 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@H]1CSCCS1)[C@@H]1CCS(=O)(=O)C1 1705569828 HKNAWSHMBVFFOP-MOPGFXCFSA-N 492.692 2.353 30 10 JEEE C#CCN(CC#CC)c1nnc(Cc2c[nH]c3ccccc23)n1CCN/C(O)=C1/N=CC=CC1=O 1705600103 MDGNIAWUOQBNSY-IZHYLOQSSA-N 467.533 2.340 30 10 JEEE C#CCN1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CCOCCC(C)C)CC1 1705638291 FWBHLIARQVZZTO-UHFFFAOYSA-N 473.647 2.056 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(OCCC)cc2)CC1 1705648035 PKMUXMXSEBYHLG-NRFANRHFSA-N 464.570 2.032 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1705696758 QEOJAAPMTPYXPT-OFNKIYASSA-N 468.602 2.145 30 10 JEEE C=C(C)Cn1c(N2CCN([C@@H](C)C(=O)N3CCCC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1705728656 RMYASCIOHZZNBT-RDPSFJRHSA-N 460.623 2.028 30 10 JEEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1705732455 ZSGPXFOFKKVZIM-LJQANCHMSA-N 475.615 2.436 30 10 JEEE C=CCCOCCn1c(Cc2ccsc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1705832237 RAMADWZKFDBGMA-FQEVSTJZSA-N 458.632 2.266 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2Cc2cccc(OCC(=O)N(C)C)c2)C1 1705925276 NENDOENZVNHYKS-TZIWHRDSSA-N 455.559 2.079 30 10 JEEE CC(=O)N1CCC(Cn2c(CC(C)C)nnc2N2CCN(c3nccnc3C#N)C[C@H]2C)CC1 1705968948 GFOGEEUYBQVQKQ-GOSISDBHSA-N 465.606 2.112 30 10 JEEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCOC(C)(C)C2)CCCO1 1708233797 BRFYABGDELWVQQ-IBGZPJMESA-N 454.575 2.455 30 10 JEEE CNC(=O)CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC2(O)CCOCC2)CC1 1711371791 AVVHKUYIMZOBCH-UHFFFAOYSA-N 452.559 2.101 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@@](C)(O)c1ccsc1)[C@H]1CCS(=O)(=O)C1 1722358720 FCIAKROKJHWQON-LAUBAEHRSA-N 460.581 2.442 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCC2(C1)OCCO2 1722406834 WPTCFVYVHDWHPB-SFHVURJKSA-N 473.599 2.198 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1CCCn1cc(Br)cn1 1722428936 LSLQAKPQCQTLQP-MRXNPFEDSA-N 451.369 2.307 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@@H]2CN(CC(C)C)CCO2)CC1 1722435922 RIRDTZVWZMGUEL-QHCPKHFHSA-N 496.656 2.464 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Cl)c3)n2Cc2nncn2CC)CC1 1722443433 IRWVCWFZJOGPGC-UHFFFAOYSA-N 452.950 2.224 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccc1N1CCOCC1 1722459405 JOBZLOQWUOGBFG-HXUWFJFHSA-N 489.667 2.020 30 10 JEEE C=C(Br)Cn1c([C@H]2CCCCO2)nnc1N1CCN(Cc2nc(COC)no2)CC1 1722481734 ACOZKACHNCDUCR-OAHLLOKOSA-N 482.383 2.280 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N(C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 1722692155 FYSHVBIEYRJWSD-PZJWPPBQSA-N 467.618 2.208 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1722726112 WANKIWJRHAGJBV-GOSISDBHSA-N 452.625 2.120 30 10 JEEE CCN1CCN(C[C@H](C)Cn2c(COc3cc(C)ccc3C)nnc2N2CCO[C@H](C#N)C2)CC1 1728632920 GWMMRKKICZZAPC-JTHBVZDNSA-N 481.645 2.476 30 10 JEEE COCC[C@@](C)(O)Cn1c(-c2cccn2C)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1730628598 FFJLPESSAAZTEP-XMMPIXPASA-N 467.549 2.408 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCCN1CCC[C@@H]1CO 1740539947 SCOJJYPJBLYDDR-UYAOXDASSA-N 459.616 2.043 30 10 JEEE C#CCN(C)c1nnc(-c2cc(F)ccc2Br)n1CCS(=O)(=O)NC(C)C 1740602503 NNZAOVHOIFTFHT-UHFFFAOYSA-N 458.357 2.244 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1cscc1C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1740616084 RVWSJNDJNZGZFU-AWEZNQCLSA-N 489.545 2.172 30 10 JEEE C#CCN(c1nnc(C(C)C)n1Cc1ccc(CN2CCC(O)CC2)cc1)[C@H]1CCS(=O)(=O)C1 1740616459 BKYLLKJIJJQYFY-QFIPXVFZSA-N 485.654 2.033 30 10 JEEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2Cc2cccnc2OCC(F)F)CC1 1740698350 RSSRNVNQAISQAT-UHFFFAOYSA-N 453.497 2.106 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2ccc(Br)cc2)CC1 1740706249 RCNMMIPZIQWARE-IBGZPJMESA-N 499.413 2.200 30 10 JEEE C=CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1740870613 IUNCEQDJLREJFV-MRXNPFEDSA-N 476.379 2.485 30 10 JEEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CN(Cc2ccccc2)CCCO1 1740899413 MJBXIBKSGWQZBI-LEWJYISDSA-N 459.616 2.094 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccccn2)n1C[C@@]1(O)CCS(=O)(=O)C1 1740915278 ACBUFPOLYAHOMA-QHCPKHFHSA-N 469.567 2.091 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCC(=O)N2)n1CC1(CS(C)(=O)=O)CC1 1740921413 SYNHALPKNCAUHI-SFHVURJKSA-N 461.563 2.386 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCC(N(C)C(=O)OCC)CC1 1740954001 YXURPTFSGNGVGX-UHFFFAOYSA-N 456.547 2.313 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Br)cc2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1740963254 FRDIXBSUTZKXNM-CRAIPNDOSA-N 494.390 2.162 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C3(c4ccccc4)CCC3)n2CCS(=O)(=O)N(C)C)C1 1740973159 RSCMHDNTMHRBJS-FQEVSTJZSA-N 459.616 2.421 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1C[C@]1(O)CCSC1 1741674292 AZHOCEFDPQJANA-JOCHJYFZSA-N 490.033 2.136 30 10 JEEE C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1)N(C)C 1741838985 BYYIALPPXJJOMO-SFTDATJTSA-N 478.645 2.290 30 10 JEEE CCNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCC[C@H]2OC)CC1 1746531203 BVCQWOJAOBZDKC-PZJWPPBQSA-N 467.574 2.395 30 10 JEEE CCS(=O)(=O)NCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC[C@@](C)(C#N)C1 1747447442 DRFMZEFTCJUCDU-QFIPXVFZSA-N 455.588 2.420 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2C[C@@H]2CCCCN2CC)c1 1748694974 WFGQAHTYCJJTSO-QFIPXVFZSA-N 477.613 2.331 30 10 JEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCN1CCCCCC1=O 1748771158 HZOHSAYBERZAGQ-UHFFFAOYSA-N 471.631 2.409 30 10 JEEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1CC(C)(C)SC)[C@H]1CCS(=O)(=O)C1 1748821430 QLEGCLWUEROHSU-HNNXBMFYSA-N 481.669 2.038 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCSC1 1748941102 XDZATYNTMCSSAQ-RDJZCZTQSA-N 451.593 2.420 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCCc2cnn(C)n2)CC1 1748979343 YQZZMZPEQAHJGC-SFHVURJKSA-N 452.538 2.074 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccnc(SC)c2)CC1 1749003783 VUXHZLPREQSBHN-VWLOTQADSA-N 498.653 2.450 30 10 JEEE C#CCSCCn1c(N(C)[C@@H](C)CS(C)(=O)=O)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1749048628 SFGLFJRIUAVYCM-YESZJQIVSA-N 485.676 2.285 30 10 JEEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1749115491 RJQWFPMSUORAMF-XGUBFFRZSA-N 465.414 2.169 30 10 JEEE C=C(C)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1749184148 IRAVTANPJGNQNV-SFHVURJKSA-N 462.572 2.322 30 10 JEEE C=CCOc1ccccc1Cn1c(CN2CCCC2=O)nnc1N1C[C@@H](COC)O[C@H](C)C1 1749690430 XFBBFECSMBPKLH-QUCCMNQESA-N 455.559 2.254 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ncnn2C(C)(C)C)C1 1749698614 UYCJZEVAMXDKJE-WZONZLPQSA-N 459.595 2.495 30 10 JEEE CC(=O)N1CCCN(c2nnc(Cc3ccc(Cl)cc3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1749835533 MSESDGFZNMJLRF-GHVJWSGMSA-N 497.987 2.107 30 10 JEEE CC(C)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCC(=O)N(C)C)[C@@H](C)C1=O 1750846111 CXVCNNIBQGTYLL-IBGZPJMESA-N 481.601 2.290 30 10 JEEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1760129237 GRSFFMVTYMUOPG-UHFFFAOYSA-N 455.651 2.312 30 10 JEEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 1760129798 ZJQQNWASNZRSRS-FQEVSTJZSA-N 476.647 2.148 30 10 JEEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(c2cnn(C)c2)CC1 1760132919 QXOBXIQLUHLKRG-UHFFFAOYSA-N 467.599 2.212 30 10 JEEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1760212576 XQGRNFMKZYMOLC-SANMLTNESA-N 496.612 2.036 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1 1760218922 QEVRFPSHMZZLSZ-NJDAHSKKSA-N 459.660 2.400 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCSC(F)(F)F)CC1 1760264924 HYVCQUUCTQNMIF-UHFFFAOYSA-N 481.504 2.144 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@]2(O)CCC[C@@H]2C)CC1 1760267701 WUWZUJHOOKQCOV-HFJWLAOPSA-N 481.597 2.479 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cnn(CC(C)C)c1C 1760337084 NHLDNKXTEMLYEW-FQEVSTJZSA-N 479.651 2.223 30 10 JEEE C=C(C)COCCn1c([C@H]2CCCCO2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1760356396 MOYWEIAJIQCJQF-FGZHOGPDSA-N 468.602 2.461 30 10 JEEE C=CCC(C)(C)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1760415537 BVWICQAILXFAPD-LJQANCHMSA-N 466.586 2.223 30 10 JEEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 1760440257 FKNHBBQEWXYYQY-SFHVURJKSA-N 457.600 2.170 30 10 JEEE C=CCCOCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(C)C(=O)[C@@H]1C 1760445550 NNDIXIMTUOCZDE-INIZCTEOSA-N 460.966 2.121 30 10 JEEE C=CCCOCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1760451690 PZFRCVCSEJDSBY-NRFANRHFSA-N 491.614 2.244 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1760556191 WTVZLSUQABQPRN-QZTJIDSGSA-N 483.635 2.219 30 10 JEEE C[C@@H]1OCC[C@]1(O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@](C)(C#N)C1 1763265822 AQAIXRRVGDOUDW-SSKFGXFMSA-N 459.572 2.019 30 10 JEEE CNC(=O)C(C)(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@](C)(C#N)C1 1767540214 FDFLUOUIDNYARP-JOCHJYFZSA-N 458.588 2.251 30 10 JEEE COc1ccc(Br)c(-c2nnc(N3CCC(C#N)CC3)n2CCNS(C)(=O)=O)c1 1769943068 GPAAUIZEJOEDTB-UHFFFAOYSA-N 483.392 2.005 30 10 JEEE COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CCNC(C)=O)cc(OC)c1OC 1862635301 HAMCZOYVJUYUAM-OAQYLSRUSA-N 498.488 2.156 30 10 JEEE COc1ccc(NC(=O)[C@@H](CO)NC(=O)C2CCN([C@H](C#N)c3cccs3)CC2)c(C)c1 1866867214 NOLZXDJMSVCLGW-WOJBJXKFSA-N 456.568 2.458 30 10 JEEE COc1ccc(-n2nnc(C#N)c2NC(=O)CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1Cl 1870155543 RZESBPOFCJIHQE-UHFFFAOYSA-N 495.839 2.334 30 10 JEEE CC(C)Cn1cc(OCC(=O)Nc2sc3c(c2C#N)CCC3)c(=O)cc1CN1CC(O)C1 1870323737 FHFMJHIZDFWFOC-UHFFFAOYSA-N 456.568 2.120 30 10 JEEE C=CCn1cc(OCC(=O)Nc2ccccc2F)c(=O)cc1CNc1ccc(S(N)(=O)=O)cc1 1871193484 VVQTWTMJFKIFTE-UHFFFAOYSA-N 486.525 2.450 30 10 JEEE CCCNC(=O)CSc1nnc(CCOC)n1/N=C/c1cc(Br)c(O)c(OC)c1 1874470558 KIPKVHRAXVSIHG-UFFVCSGVSA-N 486.392 2.444 30 10 JEEE COc1ccc(C(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)c(Br)c1 1889437357 RQMXHSPJCXBTRH-UHFFFAOYSA-N 464.404 2.330 30 10 JEEE CN1CCN(CC#CCOC2CCN(C(=O)c3cc(Br)cc([N+](=O)[O-])c3)CC2)CC1 1890251199 WPAGPVNYFBAQPZ-UHFFFAOYSA-N 479.375 2.229 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CCS(C)(=O)=O)C(=O)N1CCC[C@H](B2OC(C)(C)C(C)(C)O2)C1 2124533310 OGIRFRJDWNCWDW-JKSUJKDBSA-N 474.429 2.399 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C(=O)O)N(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C1 2188802615 UPCBIGLJBSLBLM-VAMGGRTRSA-N 471.558 2.259 30 10 JEEE CN(C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CC[C@@H]1NC(=O)OCc1ccccc1 2256066707 GOXSCKPHLNVYLB-ZWKOTPCHSA-N 466.347 2.305 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@](C)(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2256605973 PCRFQYKCTNINSF-MPBGBICISA-N 452.386 2.281 30 10 JEEE CC(C)(C)OC(=O)NCCCC[S@](C)(=O)=NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2267098451 ZINLITAYZNLJEQ-YTTGMZPUSA-N 470.401 2.252 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2occc2B2OC(C)(C)C(C)(C)O2)C[C@H]1CCO 2267182029 ANANYBBXDBBPCB-OAHLLOKOSA-N 450.341 2.023 30 10 JEEE CC(C)(C)OC(=O)N1CC2(C1)CN(S(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1)C2 2267374850 XZAHNCWAZACNAE-UHFFFAOYSA-N 464.393 2.227 30 10 JEEE CO[C@@H]1C[C@H](CNC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)N(C(=O)OC(C)(C)C)C1 2267489422 VWIPJRWSAZYAQC-ZIAGYGMSSA-N 467.397 2.197 30 10 JEEE CC(C)(C)OC(=O)NC1[C@@H]2CN(S(=O)(=O)c3ccccc3B3OC(C)(C)C(C)(C)O3)C[C@@H]12 2267719520 DHFXLVNSKHPSNL-HUUCEWRRSA-N 464.393 2.129 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)s1)C1(O)CCC1 2268721485 LWIMKMXLNYZFRJ-INIZCTEOSA-N 466.409 2.472 30 10 JEEE Cn1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC23CCC3)nc1B1OC(C)(C)C(C)(C)O1 2282039593 XOAAVWFACJJXFF-UHFFFAOYSA-N 460.384 2.335 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@](O)(CCNC(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282186973 BZOAZRBGFYYMSW-XMMPIXPASA-N 460.380 2.478 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)OCC1(C)C 2282192793 CBKAAXKJRCUOTL-INIZCTEOSA-N 463.384 2.458 30 10 JEEE Cc1ccc(S(=O)(=O)NC2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)c(B2OC(C)(C)C(C)(C)O2)c1 2282310512 VIPFSHJCSMIOTD-HZPDHXFCSA-N 478.420 2.438 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@]2(NS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2282493268 SLLRQBPHWZIIIL-SZNDQCEHSA-N 499.464 2.261 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCN(C(=O)OC(C)(C)C)CC3(CC3)C2)n1 2282531113 DZFQMVQDCNNOOZ-UHFFFAOYSA-N 460.384 2.192 30 10 JEEE Cn1nc(C(=O)N2C[C@H]3CN(Cc4ccccc4)C[C@@]3(C)C2)cc1B1OC(C)(C)C(C)(C)O1 2282606715 SCVYAGXISMCWBY-CLOONOSVSA-N 450.392 2.313 30 10 JEEE C[C@@H]1CC[C@@H](CNC(=O)C(F)(F)F)N(C(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282674162 GUHCKDZQJFSOBT-CJNGLKHVSA-N 455.286 2.300 30 10 JEEE CC(C)(C)OC(=O)N1CCOCCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(O)cc1O 2282979246 XRTNXIQLJVVERK-UHFFFAOYSA-N 464.324 2.022 30 10 JEEE C[C@H](c1cc(B2OC(C)(C)C(C)(C)O2)cs1)N(C)C(=O)[C@@H](CC(N)=O)NC(=O)OC(C)(C)C 2283934553 ZMYQLLWGPMYEDK-UKRRQHHQSA-N 481.424 2.335 30 10 JEEE CC(C)(C)OC(=O)NC1CCN(CC(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)CC1 2283959449 MOYOPIYPDGYJSK-UHFFFAOYSA-N 460.384 2.308 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2[C@H](C1)OC[C@@H]2C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2284017180 DPXOWVKWBGGBIG-IKGGRYGDSA-N 459.352 2.201 30 10 JEEE CC(C)(C)OC(=O)NCCCC[C@@H](NC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2289797882 SYKOMYOGPXBHHR-CYBMUJFWSA-N 483.396 2.320 30 10 JEEE CN(C)c1ccc(C=Nn2c(SCC(N)=O)nnc2[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1 2325918202 NVDPEPQTFBJSFG-IBGZPJMESA-N 477.594 2.320 30 10 JEEE Cn1ncc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H]3CCC[C@@H]32)c1B1OC(C)(C)C(C)(C)O1 2367684600 JBMQTVQXONMUQX-DLBZAZTESA-N 460.384 2.333 30 10 JEEE COc1cc(/C=N/Nc2nnc(SCC(=O)Nc3c(F)cccc3F)n2N)cc([N+](=O)[O-])c1O 21326967 NROISWMPQXDBIU-QPJQQBGISA-N 494.440 2.069 30 10 JEEE COc1ccc(F)cc1/C(O)=C1/C(=O)C(=O)N(CCCN2CCOCC2)[C@H]1c1ccccn1 102756386 UFZMIUQOUSPVDK-AGGMBTAESA-N 455.486 2.373 30 10 JEEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCCCCNC(=O)C[C@H]2c2ccccc2)cc1 257177325 DTMXPIASQGTYAT-NRFANRHFSA-N 454.552 2.097 30 10 JEEE C=CCc1cc([N+](=O)[O-])ccc1OCC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 513600757 IGNPHRNATHYUOS-UHFFFAOYSA-N 459.524 2.376 30 10 JEEE O=C(NCC#CC(=O)N1C[C@@H]2COCC[C@]2(C(=O)O)C1)OCC1c2ccccc2-c2ccccc21 757488333 ZITIHSSOZKYWDY-CLYVBNDRSA-N 474.513 2.478 30 10 JEEE CC1CCC(C#N)(N(C)C(=O)[C@H](C)OC(=O)C2=NN(c3ccc(F)cc3)[C@H](C(N)=O)C2)CC1 913202690 AIVKSSSUZHJJPL-DPOBVMLMSA-N 457.506 2.108 30 10 JEEE CCNC(=O)CCSc1n[nH]c(NN=Cc2c(C)nn(-c3ccccc3)c2N2CCOCC2)n1 1084170731 SGCIKMBMNPYDDZ-UHFFFAOYSA-N 483.602 2.200 30 10 JEEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCN(S(=O)(=O)CCCOC)CC1 1127025788 XFHFSZMOYBKPGF-UHFFFAOYSA-N 450.479 2.394 30 10 JEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2ccc(F)cc2F)C1 1286349967 RLUKUMMRTFJPJZ-KXBFYZLASA-N 450.511 2.450 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](c2cccc(C)c2)C1 1286350184 WVQKBNNNKNFGCU-NHCUHLMSSA-N 457.600 2.327 30 10 JEEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 1286359088 VYFPNVKYBHMBGV-REWPJTCUSA-N 466.586 2.176 30 10 JEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCCCOc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1286379924 DZWCAVNCFMCVAR-OAQYLSRUSA-N 499.637 2.308 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@@H]1CCC[C@@H](O)C1)[C@H]1CCS(=O)(=O)C1 1286387060 NKNWSLOXFCLNEI-CEXWTWQISA-N 458.584 2.132 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCSCC(C)C)[C@H]1CCS(=O)(=O)C1 1286392258 BEJDVAHSOOVRCU-IBGZPJMESA-N 464.661 2.156 30 10 JEEE C#CCN1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCCC(=O)N(C)C)CC1 1286480633 OGQPQBMJVRHGMD-UHFFFAOYSA-N 487.649 2.016 30 10 JEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 1286508639 OFJFHEYKHGQCSY-KRWDZBQOSA-N 462.620 2.118 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CCS(=O)(=O)NC 1286517099 PMYBLVFORUJHBU-JOCHJYFZSA-N 461.588 2.282 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1286549239 WUHYDHMTRDQDNX-HBMCJLEFSA-N 471.606 2.116 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1286549657 YINHBLSWYNBFII-IIZPIQPGSA-N 483.617 2.452 30 10 JEEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCN(C(=O)Cc2cccc(OC)c2)CC1 1286789633 HYOGGPLQNPGOHG-UHFFFAOYSA-N 480.613 2.213 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1CCCN1CCCO 1288517982 HPBWNLJRMNZYRF-FPOVZHCZSA-N 467.622 2.037 30 10 JEEE C[C@@H](CC(=O)NCc1ccnc(OCC(F)(F)F)c1)/N=C1/NS(=O)(=O)c2ccccc21 1290953400 AEEIOSLOVZETOR-LBPRGKRZSA-N 456.446 2.156 30 10 JEEE CCNC(=O)c1ccc(Cn2c(N3CCC(C#N)CC3)nnc2[C@@]2(OCC)CCOC2)cc1 1296277518 GHFOCRLCWVCRCG-XMMPIXPASA-N 452.559 2.468 30 10 JEEE CCOC(C)(C)Cn1c(Cc2ccncc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1296461069 CZULRUGQYNXSJK-UHFFFAOYSA-N 463.590 2.319 30 10 JEEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)CC1COC(C)(C)OC1 1300404493 XKHHXKAHKIIUTC-UHFFFAOYSA-N 460.604 2.487 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1300484829 SCGICSXAZZANMQ-HKBOAZHASA-N 488.610 2.077 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H]1CCCCN1CCC)[C@H]1CCS(=O)(=O)C1 1300500774 DAISTKALOHDGCS-VXKWHMMOSA-N 470.643 2.155 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1CCC(=O)N1CCCCCC1)[C@H]1CCS(=O)(=O)C1 1300502464 VDXLABPFJOHECQ-FQEVSTJZSA-N 489.667 2.350 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(Br)cc2Cl)n1CCC[C@@H]1NC(=O)NC1=O 1300515773 AGQSFZVZEUCUOF-INIZCTEOSA-N 489.761 2.422 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2Cc2ccccc2CN2CC[C@@H](O)C2)CC1 1300711844 IWRICUSKITWWGV-GBXCKJPGSA-N 478.641 2.372 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2Cc2cc(C)nn2C)CC1 1300731845 XIVVTNUVTNLIGG-UHFFFAOYSA-N 461.570 2.222 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1Cc2ccccc2O1 1300915284 MCUXOUPDWBGKHD-QUCCMNQESA-N 461.588 2.017 30 10 JEEE C=C(C)CN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCNC(=O)c1cc[nH]n1 1300916568 YUMSZIOXMUMEQS-UHFFFAOYSA-N 464.578 2.008 30 10 JEEE C=C(Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](COC)C1)c1ccccc1 1301008868 CFTTYWWBKJZOIC-PZJWPPBQSA-N 475.615 2.187 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCN(CC)[C@@H](C)C1 1301496826 HTZIALOANYPZIB-SFHVURJKSA-N 478.601 2.069 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1301515500 VUTHEDDGBZTKOW-JOCHJYFZSA-N 479.585 2.186 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@@H](C)CC[C@@H]1C 1301586370 RUAWPZFKKOVLIF-IRXDYDNUSA-N 470.599 2.418 30 10 JEEE C=CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1301595661 ZHBFPQCATDCTHG-QGZVFWFLSA-N 484.047 2.404 30 10 JEEE C=CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1301613179 VKTYEAHRAYXMNU-UXHICEINSA-N 462.664 2.224 30 10 JEEE COc1cc(C#N)ccc1NC(=O)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 1310514622 CWXLKJZQSJBKMK-UHFFFAOYSA-N 458.525 2.110 30 10 JEEE CO[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1)C(C)C 1315193278 AOHNEYSCRFLUEH-SFTDATJTSA-N 472.615 2.492 30 10 JEEE C#CCNC(=O)c1ccccc1NC(=O)c1cn([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nn1 1357703496 FKTVKWOTIZGEAO-INIZCTEOSA-N 452.515 2.465 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC[C@@H]1COCCO1 1358885453 KINFRXFOWFRJSX-QZTJIDSGSA-N 450.543 2.499 30 10 JEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1C[C@@]1(C)CCCO1)[C@@H]1CCS(=O)(=O)C1 1358965783 BDYRNZMFYIZQFK-HYBUGGRVSA-N 472.611 2.268 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(C)cc2OCCOC)CC1 1359044703 MLSVWNFYZHYRJX-JOCHJYFZSA-N 481.597 2.130 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccc2F)nnc1N1CCC(OCC(N)=O)CC1 1359102116 WTYAJHHSDWAZOB-JPYJTQIMSA-N 457.550 2.460 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N(CCO)Cc1cc(Br)ccc1F 1359299691 LEWVTELDYGDVSX-HNNXBMFYSA-N 496.381 2.375 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(C(=O)NC)CC1 1359329921 ZGWQATJZBAPMDD-UHFFFAOYSA-N 487.413 2.314 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](CCc2ccccc2)C1 1359331098 NFQUBHBHFITCHV-OAQYLSRUSA-N 470.599 2.117 30 10 JEEE C=CCSCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCN(S(C)(=O)=O)CC1 1359345269 ZNULBENAPDPQMM-UHFFFAOYSA-N 460.629 2.351 30 10 JEEE CC(=O)NC[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCN2CCCO)C1 1359433156 CEZFGHVJEKPOOU-FYYLOGMGSA-N 465.602 2.016 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@]1(O)CCSC1 1359476540 GVFGAAXUPPYNJT-GBXCKJPGSA-N 469.659 2.107 30 10 JEEE C#CC[C@@]1(C(=O)NCCOc2ccc(S(C)(=O)=O)cc2)CCCN1C(=O)OC(C)(C)C 1360048379 DCWGSXYKCZXJOJ-QFIPXVFZSA-N 450.557 2.378 30 10 JEEE C=CCN(C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1)[C@@H](C)COC 1461524202 UKOOZSVEBCMJDR-KRWDZBQOSA-N 452.573 2.298 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCNC(=O)c1cccs1 1507522021 SXCONXPSJXUXHO-OAHLLOKOSA-N 457.581 2.298 30 10 JEEE C#CCN(c1nnc(C2CCCC2)n1CC(F)(F)C1(OC)CCOCC1)[C@H]1CCS(=O)(=O)C1 1507631900 GZQWWMDGGRIUMD-SFHVURJKSA-N 486.585 2.393 30 10 JEEE C#CCN(c1nnc(COc2ccccc2CC)n1CCC1(O)CCC1)[C@H]1CCS(=O)(=O)C1 1507640397 RMKQLMJSIAUGGK-FQEVSTJZSA-N 472.611 2.351 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2OC)n1CCn1cc([C@@H]2CCOC2)cn1 1507645832 MCBOVQRFKQHRTK-LJQANCHMSA-N 460.538 2.436 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccccc2F)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1507656484 WTYBXMGZJHENEZ-PMACEKPBSA-N 479.535 2.415 30 10 JEEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC[S@@](=O)C(C)(C)C 1507711316 UAJBROUFXMMOSI-MGBGTMOVSA-N 473.647 2.085 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCc2ccc(C)c(OC)c2)CC1 1507716192 NWBXCOLZBGACND-UHFFFAOYSA-N 459.554 2.240 30 10 JEEE C=C(C)COCCn1c(N2CCN(C)C(=O)[C@@H]2C)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1507848839 OYVGBGZBXXYEOJ-OKZBNKHCSA-N 462.595 2.308 30 10 JEEE C=CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CCNS(=O)(=O)CC 1507974682 FJQUZAGRBPHEIZ-UHFFFAOYSA-N 458.382 2.278 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)C1CCC1 1508136594 TYCHSCXJKFRDEB-UHFFFAOYSA-N 466.633 2.136 30 10 JEEE CC(C)NC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1509757786 GRLYIODYKQDVDD-INIZCTEOSA-N 479.976 2.500 30 10 JEEE CS(=O)(=O)N1CC[C@@H](Cn2c(COc3ccccc3F)nnc2N2CCC(CC#N)CC2)C1 1519528174 BBUQAGQSEKQHPA-GOSISDBHSA-N 476.578 2.408 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1CC(=O)N1CCOCC1 1538974218 UFGHLUPMGIKOIY-ZDUSSCGKSA-N 450.312 2.163 30 10 JEEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1539063263 NGXAULAXRLWAKI-UHFFFAOYSA-N 452.607 2.007 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1C[C@H](c1ccc(F)cc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1539224661 IVBQXTFBLIBXBR-NHCUHLMSSA-N 459.591 2.299 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1Cc1csc(CC)n1)[C@@H]1CCS(=O)(=O)C1 1539226452 YJHSUYCCCQQIHG-QGZVFWFLSA-N 476.653 2.328 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1Cc1ccc(C#N)o1)[C@@H]1CCS(=O)(=O)C1 1539229648 GDJXFUGBWFCRFJ-GOSISDBHSA-N 465.535 2.305 30 10 JEEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 1539230333 LXEYYWMFIQKKFU-PMACEKPBSA-N 458.584 2.280 30 10 JEEE C#CCN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC1(S(C)(=O)=O)CC1 1539370528 WXXCFJJEVWUEHY-UHFFFAOYSA-N 465.620 2.429 30 10 JEEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1(SC)CCOCC1 1539416586 PXAIJFGPQMTRHZ-UHFFFAOYSA-N 485.658 2.450 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cc(Cl)c(OCC)c(OC)c2)CC1 1539446142 RWNQNPXAYPVNBR-GOSISDBHSA-N 472.977 2.093 30 10 JEEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CCc2ccc(S(C)(=O)=O)cc2)CC1 1539454716 ZABKMSRFXYASFD-UHFFFAOYSA-N 484.651 2.035 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H](C2CCCCC2)N(C)C)CC1 1539462063 BITLEYRPZHNOQX-VABKMULXSA-N 458.651 2.268 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2C[C@](C)(O)CCC)CC1 1539482116 RFABCAWTSUHXCI-SQJMNOBHSA-N 467.570 2.308 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1539615198 HBOXTTJNNVEAAL-IZBJGVDFSA-N 458.607 2.140 30 10 JEEE C=C(C)Cn1c(Cc2cccnc2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1539710574 UUEKHHGGKTZZFD-UHFFFAOYSA-N 459.601 2.116 30 10 JEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1ccc(OC)c(OC)c1 1540858044 CRTQRZQSJUNUIO-YLJYHZDGSA-N 477.587 2.156 30 10 JEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1c(F)cccc1F)C1CC1 1540858258 OMILQDMUEGQNDC-GOSISDBHSA-N 453.515 2.244 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(Cc2cscn2)CC1 1540864817 LSQRRPOIOBTSRY-UHFFFAOYSA-N 453.572 2.035 30 10 JEEE CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](CC)OC)CC1 1545710609 DMEUWOHGENAVJZ-WIYYLYMNSA-N 453.591 2.278 30 10 JEEE CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCCN1CCCCC1=O 1548298491 HBSUSGOJWFHTAK-GOSISDBHSA-N 472.615 2.479 30 10 JEEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(Oc3ccc(Cl)cc3)c(F)c2)CC1 1558073034 JKYBAGDPLULVLG-UHFFFAOYSA-N 451.907 2.497 30 10 JEEE COCCN(CC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1)Cc1ccc(C#N)cc1 1559522329 DSWKXTLVCQHZSC-UHFFFAOYSA-N 456.568 2.430 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@](C(=O)OCC)(C2CC2)C(F)(F)F)ccc1F 1586255797 IDZORRQELGIWRR-KRWDZBQOSA-N 452.426 2.294 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1Cc1ccc(OC)nc1)[C@@H]1CCS(=O)(=O)C1 1588069584 QTKZGLMSFDNLHN-HXUWFJFHSA-N 481.578 2.244 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCCN1CCCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1588073706 BSTIURAJHKLLFK-PCCBWWKXSA-N 463.648 2.411 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H](C)N1CCC[C@H](C)C1 1588099398 MBLHZHAJDORTFR-LEWJYISDSA-N 482.654 2.389 30 10 JEEE C#CCN1CCN(c2nnc(-c3noc4c3COCC4)n2C[C@@H](C(CC)CC)N(C)C)CC1 1588806544 UVKNUOBOPNIOHC-FQEVSTJZSA-N 455.607 2.127 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Cl)n2CCCN2CCOCC2)CC1 1588913261 FDOQSAAYDGPGNT-UHFFFAOYSA-N 471.005 2.287 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@]2(C)CCCO2)CC1 1588962129 VRWVLQMRDQEYBP-RUZDIDTESA-N 467.570 2.401 30 10 JEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)c2ccccc2OCC)CC1 1588976384 WKYDYDHUJLOVTA-UHFFFAOYSA-N 484.626 2.144 30 10 JEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 1588976425 XPJGVMXSEKCMFH-INIZCTEOSA-N 450.609 2.276 30 10 JEEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1589070522 URBDLFKDJJOKLT-PMACEKPBSA-N 474.675 2.108 30 10 JEEE C#CCSCCn1c(COc2ccccc2OCC)nnc1N1CCc2nn(C)c(=O)cc2C1 1589116400 HLLPZAYUUGQJHJ-UHFFFAOYSA-N 480.594 2.279 30 10 JEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 1593763461 LDRSHEAIRQWFCC-UHFFFAOYSA-N 469.546 2.228 30 10 JEEE C=C(Cl)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1593826929 SUKZYGNLXKZOLV-HNNXBMFYSA-N 490.948 2.196 30 10 JEEE C=CCC(C)(C)Cn1c(-c2cnccn2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1594484716 VREUQXQDTVGSLM-UHFFFAOYSA-N 452.607 2.472 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H](C)[C@H](O)c2cc(OC)ccc2OC)ccc1F 1595032571 XKMWWLWLHPZFFQ-XCLFUZPHSA-N 452.504 2.159 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1595476608 LYARHDJMNNIUIZ-PKOBYXMFSA-N 470.549 2.451 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1595501471 VJNIHVHSKYVCEK-NEPJUHHUSA-N 481.376 2.006 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCCN(C(=O)C2CC2)CC1 1595556530 WYGOMPLDQYOKKH-UHFFFAOYSA-N 456.978 2.273 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1595798153 MKAYMHCSAFTOCM-GOSISDBHSA-N 451.637 2.226 30 10 JEEE CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCSC2)CC1 1615937642 BVNLCYBLPIDRAP-LJQANCHMSA-N 453.616 2.218 30 10 JEEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H](C(=O)OC)c2ccc(OC)c(Cl)c2)c1 1655030793 AXSHACLVZSMSDT-GOSISDBHSA-N 452.916 2.457 30 10 JEEE C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CN(Cc3ccccc3)CC[C@H]2CO)cc1 1676356088 CGNGGZBEEHZURN-LZNRXBQRSA-N 456.568 2.377 30 10 JEEE C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCC[C@@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 1682698250 VXQIUMBHTVFWAZ-QRVBRYPASA-N 450.580 2.221 30 10 JEEE C=C(C)[C@@H](NC(=O)N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1)c1ccc(F)c(F)c1 1686174047 VROYWLACVJNFJG-LJQANCHMSA-N 453.515 2.340 30 10 JEEE C#CCCCn1c(N2CCN(CC(=O)N[C@@H]3CCC[C@@H](C)C3)CC2)nnc1[C@]1(OCC)CCOC1 1689940681 AKVUOYAYCHZKDN-DRLORSAXSA-N 486.661 2.161 30 10 JEEE C#CCN(c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC(=O)NCC=C)[C@H]1CCS(=O)(=O)C1 1689982062 HECYTBTWCPPRPP-WMZOPIPTSA-N 487.651 2.060 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1cccc(C(C)(C)O)c1)[C@H]1CCS(=O)(=O)C1 1689990393 NUZUNUUDERRRDD-FPOVZHCZSA-N 472.611 2.075 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@](C)(O)c1cccs1)[C@H]1CCS(=O)(=O)C1 1689991271 ZBRPPYXPYCLFCJ-XGHQBKJUSA-N 464.613 2.116 30 10 JEEE C=C(Br)Cn1c(COCC)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1690233306 CFYCYWZDFXQJSC-UHFFFAOYSA-N 450.403 2.021 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(F)cc2)CC1 1690236434 MNNIBTAPTHSYHQ-WFXMLNOXSA-N 492.621 2.335 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 1690667073 PLNLOBYFEMZCQC-PMACEKPBSA-N 497.619 2.203 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 1690722601 OYKIDTKJQHSKTG-GHTZIAJQSA-N 486.646 2.127 30 10 JEEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)CC1 1690838117 BJMXXIRCRSCHMJ-OALUTQOASA-N 465.602 2.373 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCCN(C(C)=O)C1 1705495630 SICCSOSOAMLEHR-DFQSSKMNSA-N 474.606 2.303 30 10 JEEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1705509046 BVEKRNNWZLLTRI-AZUAARDMSA-N 475.615 2.239 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CC1(COC)CCC1)[C@H]1CCS(=O)(=O)C1 1705560892 LUWYRAYXQAZAMZ-FQEVSTJZSA-N 453.568 2.260 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1Cc1oc(CC)nc1C)[C@@H]1CCS(=O)(=O)C1 1705563304 UWCFUCGFXVUOOJ-QGZVFWFLSA-N 499.593 2.496 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1705572187 TVALOTCTGBVOSR-HAGHYFMRSA-N 464.632 2.455 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCc2ccc(Cl)s2)CC1 1705650872 BAOAZVYLVOEQEG-UHFFFAOYSA-N 475.018 2.324 30 10 JEEE C=C(Br)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1705691145 AEOLPBILZDMHLP-HNNXBMFYSA-N 470.755 2.370 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1705696074 LJRDEAJLUUSSII-AOIWGVFYSA-N 481.022 2.493 30 10 JEEE C=C(Cl)Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1705744602 JIKFXUICLPBGPP-JXFKEZNVSA-N 480.057 2.328 30 10 JEEE C=CCn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1705892312 UUYITGDALCWYLJ-UHFFFAOYSA-N 451.575 2.295 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H](CNC(=O)CCC)C1 1705895616 MOWWDERLVKSDFD-HNNXBMFYSA-N 492.422 2.471 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1705905081 JEHDYPVOMOCMTL-QFIPXVFZSA-N 463.586 2.198 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)c(Br)c2)n1CCOC)[C@@H]1CCS(=O)(=O)C1 1722359314 LKFDHFKXPWTXOA-MRXNPFEDSA-N 467.389 2.289 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1722372191 QURLHGNPNNPNEF-OAQYLSRUSA-N 470.574 2.148 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2OC)n1CC1CCS(=O)(=O)CC1 1722392930 WUUMKKKCTKALGX-UHFFFAOYSA-N 456.568 2.250 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)N[C@H](C)c2ccccc2)CC1 1722429580 OHEVXSDAJYDGNK-OAQYLSRUSA-N 463.630 2.399 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@H](C)N2CCOCC2)CC1 1722432638 ZSGLXMRBEWDTLS-PMACEKPBSA-N 456.566 2.033 30 10 JEEE C=C(C)COCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCN(S(C)(=O)=O)CC1 1722534654 UZQROPJUCKSZAS-UHFFFAOYSA-N 458.588 2.025 30 10 JEEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(C)nc(N2CCCC2)c1)C1CC1 1722646908 MYHOECQZHGCIPU-QGZVFWFLSA-N 459.620 2.395 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CC[C@@](C)(C(=O)NC)C1 1722726000 WPJWWMSKXQYUGO-HXUWFJFHSA-N 451.980 2.162 30 10 JEEE CC(C)CC[C@@](C)(O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@H](C#N)C1 1723361598 CTPBRDAFPYCCHM-MZNJEOGPSA-N 465.558 2.108 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2Cc2conc2COC)c1 1740561734 BCSFAILOJHKFAA-SFHVURJKSA-N 464.526 2.411 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC)n2C[C@@]2(N3CCOCC3)CCSC2)c1 1740564126 BHZKITJYSRZWAI-DEOSSOPVSA-N 468.627 2.105 30 10 JEEE C#CCN(c1nnc(CC2CCCC2)n1CCC(=O)NC1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1740626021 UWYRGASTRJMGPM-OAQYLSRUSA-N 475.659 2.477 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(C#N)o1 1740677116 FSRJNINVGKLJJX-OAHLLOKOSA-N 456.503 2.180 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1740761244 VCWOCANVYQSXJP-IFMALSPDSA-N 474.631 2.011 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCN(CC(C)C)C(=O)C2)nnc1[C@@]1(OCC)CCOC1 1740765634 AZNRRUZZPVOUOP-ZCVJKFOLSA-N 461.607 2.216 30 10 JEEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1740817935 YUXRJANIYRJZNX-XIRDDKMYSA-N 451.959 2.329 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1740954176 DQQHILAUZQUALT-CQSZACIVSA-N 492.403 2.173 30 10 JEEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCC(OCCOC)CC1 1740957078 AOAKUBRTJMXCNC-UHFFFAOYSA-N 452.559 2.371 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(Cc3ccncc3)n2Cc2ccccc2S(=O)(=O)N(C)C)C1 1740981268 MVWZSMHKEVXOSQ-NRFANRHFSA-N 482.610 2.344 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@H](C)O[C@@H](CC)C1 1740985955 ONYMHGAJFWDTER-LPHOPBHVSA-N 496.033 2.466 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1740988090 SMFMBQAXOPLCRB-JKSUJKDBSA-N 484.481 2.261 30 10 JEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(=O)c2ccc(F)cc2)CC1 1748698280 FXHGNCIVFIVHSE-QGZVFWFLSA-N 490.605 2.230 30 10 JEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)O[C@H](c2ccccc2)C1 1748717692 GEJULENBIGCUMC-HJNYFJLDSA-N 487.626 2.381 30 10 JEEE C#CCCCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1748718740 NWKBEDKNYWVMEH-HXUWFJFHSA-N 483.642 2.428 30 10 JEEE C#CCN(c1nnc(-c2ccccc2F)n1CC1([S@@](C)=O)CCC1)[C@@H]1CCS(=O)(=O)C1 1748809849 PWJVIQKRXCTTRX-XHDOVSQSSA-N 464.588 2.012 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCCN(C)c1ccccc1F)[C@H]1CCS(=O)(=O)C1 1748818080 VIEVYBDHVRLDAY-PMACEKPBSA-N 489.617 2.464 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@H]1CC(F)(F)CO1)[C@@H]1CCS(=O)(=O)C1 1748820913 JEZUTNLQGRFOOE-IEBWSBKVSA-N 480.537 2.216 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccnc(OC2CCCCC2)c1 1748962237 CQJDFSHEDYDXQL-FQEVSTJZSA-N 487.626 2.421 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2C[C@]2(C)COCCO2)CC1 1748984945 XIEUBRJBGBYLHX-JOCHJYFZSA-N 490.402 2.277 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCCN(C)c2ccccc2F)CC1 1749015596 YIVHVDFGPMWBOU-FQEVSTJZSA-N 468.577 2.413 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](C)N2CCC[C@@H](C)C2)CC1 1749015784 NGBWVLYCKXFABY-KNQAVFIVSA-N 480.661 2.226 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CCOC)Cc1ccco1 1749131941 WJLKQVJTVGNGMH-BJLQDIEVSA-N 464.588 2.407 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1CCC[C@@H]1c1nncn1C 1749681413 AJDGQXPLWWARPL-MRXNPFEDSA-N 468.587 2.351 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)c2ccco2)CC1 1749736854 QRTXZIBZXRZERQ-UHFFFAOYSA-N 483.594 2.334 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCSCC1 1760117902 VOQCJFAXALAGLN-QZTJIDSGSA-N 464.636 2.093 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(CC)(CC)OC)c1 1760128688 POXIZOAHSJNHRI-LJQANCHMSA-N 487.626 2.442 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCCO[C@@H]1C(C)C)[C@H]1CCS(=O)(=O)C1 1760180812 LHTCQEWLVUXODS-JCUDRXCFSA-N 494.658 2.008 30 10 JEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CCO[C@H](C)C1 1760196493 OTIDPTKVVYJJME-IEBWSBKVSA-N 454.600 2.435 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC2(OC)CCCC2)CC1 1760261197 ICKSFOYLQVMESV-FQEVSTJZSA-N 488.633 2.301 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](OC)c2ccc(F)cc2)CC1 1760268586 LVIJMELDBQYWND-NRFANRHFSA-N 465.533 2.171 30 10 JEEE C#CCSCCn1c(-c2ccc(Cl)cc2F)nnc1N(C)CC(=O)N1CCOCC1 1760276522 HERGQUINGRCNTJ-UHFFFAOYSA-N 451.955 2.399 30 10 JEEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1760286023 YXAQOVJAOKUZLJ-WOJBJXKFSA-N 450.568 2.343 30 10 JEEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1760358929 CBQQLOJMDUFNST-UHFFFAOYSA-N 464.574 2.290 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2Cc2c(C)nn(C)c2C)C1 1760538403 DDJVOZYERIDJMC-FQEVSTJZSA-N 499.641 2.375 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(c2ccc(F)cn2)CC1 1760555204 ZXIGDIIPXWQMSU-UHFFFAOYSA-N 450.584 2.328 30 10 JEEE C=CCSCCn1c(Cc2csc(C)n2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1760567472 CNJVJLJYIRYZBM-UHFFFAOYSA-N 475.688 2.297 30 10 JEEE CC(=O)N1CCN(CCn2c(Cc3ccc(F)cc3)nnc2N2CCC(CC#N)CC2)CC1 1760622093 FUDJWXPTPZCLQA-UHFFFAOYSA-N 453.566 2.302 30 10 JEEE CCOCc1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CC1(S(C)(=O)=O)CCC1 1766396621 GSQOGDQZNSFSST-UHFFFAOYSA-N 472.615 2.370 30 10 JEEE N#Cc1ccc(-c2nnc(N3CCS(=O)(=O)CC3)n2CC2CCN(CC(F)(F)F)CC2)cc1 1771533237 DXALMCGEQGIIDR-UHFFFAOYSA-N 482.532 2.326 30 10 JEEE COc1cc([C@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2CCN2CCOCC2)ccc1O 1862641883 CWQPFEPIVLANSF-QFIPXVFZSA-N 486.496 2.459 30 10 JEEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCNC(C)=O)[C@@H]2c2cc(OC)c(O)c(OC)c2)c1 1862707751 CZAKXAXOUGJGGN-HXUWFJFHSA-N 470.478 2.132 30 10 JEEE CC(C)(C)OC(=O)N(CCC(=O)N[C@H](CO)C(=O)Nc1ccccc1C#N)Cc1cccnc1 1867084830 KTKCPPXWDROJHP-HXUWFJFHSA-N 467.526 2.196 30 10 JEEE C=CCOc1cn(CCN2CCOCC2)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870386156 CILCVMCPNXELJW-UHFFFAOYSA-N 468.598 2.076 30 10 JEEE COc1ccc(/C=N/n2c(CNC(C)=O)nnc2SCc2nc(O)c3ccccc3n2)cc1O 1874434715 UIQWHZIQOITOIW-YSURURNPSA-N 479.522 2.452 30 10 JEEE CCN(CC)C(=O)CSc1nnc(C)n1/N=C/c1ccc(OCCN2CCOCC2)c(OC)c1 1874529559 PSTCAQGOHHIDDA-LFVJCYFKSA-N 490.630 2.149 30 10 JEEE CC(C)N1C(=O)CS[C@@H](C(=O)N2CCN(c3ccnnc3)CC2)[C@@H]1c1ccc(C#N)cc1 1890277041 DFLMGWCYRJPUTI-FCHUYYIVSA-N 450.568 2.091 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)O 2059771530 VYVKATXOPSSKOH-CABCVRRESA-N 454.524 2.106 30 10 JEEE O=[N+]([O-])c1ccc(C=NNC(=S)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)o1 2059843765 DFTLLSWFOXQHAQ-UHFFFAOYSA-N 473.920 2.183 30 10 JEEE CC(C)(C)OC(=O)NCC1CN(CC(=O)NCc2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2180983355 OZOUHUBIXXGYNB-UHFFFAOYSA-N 459.396 2.059 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CCS(C)(=O)=O)C(=O)N1CC[C@@H]2C[C@]2(B2OC(C)(C)C(C)(C)O2)C1 2194129480 VHUKPHTUCNBZKG-MCFFVMPBSA-N 486.440 2.399 30 10 JEEE Cn1cc(C(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)c(CNC(=O)OC(C)(C)C)n1 2206631813 WJLCGTTVOLIKOP-UHFFFAOYSA-N 457.340 2.391 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@]2(C)CO)C1 2255187586 WJTNBCLHGQSQBZ-AVBDTAHFSA-N 451.564 2.123 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)Nc1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)n1 2256680502 XUAACOHIWTYAKR-ZDUSSCGKSA-N 455.748 2.248 30 10 JEEE CC1(C)OB(c2cncc(C(=O)N[C@H]3COCCN(C(=O)OCc4ccccc4)C3)c2)OC1(C)C 2267584912 NLPNRCLBSXAALF-OAQYLSRUSA-N 481.358 2.148 30 10 JEEE C=C(CS(=O)(=O)N1CC[C@](COCc2ccccc2)(C(=O)O)C1)B1OC(C)(C)C(C)(C)O1 2269026740 PHQNVYLEVLAANB-QFIPXVFZSA-N 465.377 2.497 30 10 JEEE Cn1ncc(C(=O)N2CC[C@@H](CNC(=O)OC(C)(C)C)C2(C)C)c1B1OC(C)(C)C(C)(C)O1 2281824048 SMYUJPBRLXFDBJ-HNNXBMFYSA-N 462.400 2.485 30 10 JEEE CN(CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)C(=O)C1CC(B2OC(C)(C)C(C)(C)O2)C1 2281931257 SSBSOPQOULDWNA-UHFFFAOYSA-N 465.400 2.397 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2C[C@H](C1)CN2C(=O)OC(C)(C)C 2281964834 DESLRTMPHWPUJN-CVEARBPZSA-N 460.384 2.284 30 10 JEEE CCc1nn(C)c(C(=O)N2CC[C@](C)(NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2281979724 PTSWSERHJWBKDD-QHCPKHFHSA-N 462.400 2.411 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2C[C@H](NC(=O)c3ncc(B4OC(C)(C)C(C)(C)O4)cn3)C[C@H]21 2282019295 JOJAIJKICBMWCE-QMCVQRASSA-N 458.368 2.197 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@]2(F)C[C@H](CNC(=O)OC(C)(C)C)C2)n1 2282039535 WTLZWXDHEFWHNO-CAJLXGCNSA-N 466.363 2.092 30 10 JEEE Cn1ncc(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 2282535162 KLLPAEGXYLIRFF-ZMSDIMECSA-N 460.384 2.095 30 10 JEEE Cn1cc(C(=O)N2C[C@H]3C[C@@H](CN(C(=O)OC(C)(C)C)C3)C2)nc1B1OC(C)(C)C(C)(C)O1 2282550579 ARBBVAWYFKQJBP-HZPDHXFCSA-N 460.384 2.048 30 10 JEEE Cc1nn(C)c(C(=O)NC[C@H]2[C@@H](C)CCN2C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2282562990 YPBXLKYALDPFHZ-HOCLYGCPSA-N 462.400 2.403 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@]2(C1)CN(C(=O)c1csnc1B1OC(C)(C)C(C)(C)O1)CCO2 2282614113 PPPHTZQZHLLXNU-JOCHJYFZSA-N 479.408 2.294 30 10 JEEE CC(C)(C)OC(=O)NC[C@@]12CC[C@H]1CN(C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)C2 2282700151 NXXXAMPDIMBKLQ-NPMXOYFQSA-N 458.368 2.153 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2CCN(C(=O)c3ncncc3B3OC(C)(C)C(C)(C)O3)C[C@H]2C1 2282705736 BNNLXMWIIYJEBF-CVEARBPZSA-N 458.368 2.105 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)[C@@H]2CCC[C@@H]21 2283059721 FMRZFLMIUMKXKV-JYJNAYRXSA-N 458.368 2.294 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1(C)C 2283071653 HMFYLJDFSDPNCH-LSDHHAIUSA-N 460.384 2.445 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N[C@@H]1COCCN(C(=O)OCc2ccccc2)C1 2285206961 RLLTUVLDWDFWDC-NRFANRHFSA-N 495.385 2.457 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1CC(F)(F)CN1C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2296415614 IHTHJRBEULUBGM-CYBMUJFWSA-N 468.310 2.150 30 10 JEEE NC(=O)CSc1nnc([C@@H]2CC(=O)N(Cc3ccccc3)C2)n1N=Cc1ccc([N+](=O)[O-])cc1 2325917614 NRCSBNHIUATKJL-QGZVFWFLSA-N 479.522 2.162 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1Oc1ncc(Cl)cc1B1OC(C)(C)C(C)(C)O1 2339438630 LKMLLQBVOMSFFW-HUUCEWRRSA-N 488.799 2.103 30 10 JEEE Cc1scc(C(=O)N[C@@]2(CO)CCN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2343502838 UCROHVCWUGDWRK-QFIPXVFZSA-N 466.409 2.457 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC(CCNC(=O)OC(C)(C)C)CC1 2362357902 SXKZQCWCBQBMQV-UHFFFAOYSA-N 462.400 2.486 30 10 JEEE CC(C)(C)OC(=O)N1CCN(CCOc2ncc(Cl)cc2B2OC(C)(C)C(C)(C)O2)C(=O)C1 2364933258 RHCONKHYWOIYKP-UHFFFAOYSA-N 481.786 2.492 30 10 JEEE COc1cc(C(=O)NC[C@H](CNC(=O)OC(C)(C)C)OC)ccc1B1OC(C)(C)C(C)(C)O1 2365423177 CVDGYVGOUOTGQW-MRXNPFEDSA-N 464.368 2.264 30 10 JEEE Cc1cnc(C(=O)N=c2[nH][nH]cc2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2380498759 HPXXVECZGZKKKE-UHFFFAOYSA-N 457.340 2.111 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)O[C@@H](C)C(=O)NCc3ccc(OC)c(OC)c3)cc2C1=O 16984403 XMRAPBQRBULMGS-AWEZNQCLSA-N 452.463 2.348 30 10 JEEE COc1cc([C@H]2C3=C(O)N=C(NCc4ccc5c(c4)OCCCO5)NC3=NC(=O)[C@@H]2C#N)ccc1O 72461300 IOYSAGHHVCKMAM-FOIQADDNSA-N 489.488 2.243 30 10 JEEE COc1c(C=NNC(N)=S)c(C[C@H]2CC(c3ccc(F)cc3)=NO2)c(OC)c2c1OCO2 254594454 FOWSICONJXYFMD-ZDUSSCGKSA-N 460.487 2.474 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)C[S@@](=O)CC(=O)Nc2ccccc2OC)nc1C 586353103 WKKUTKRDBVWTHB-PMERELPUSA-N 451.526 2.129 30 10 JEEE CCCNC(=O)C(C#N)=c1sc(=Cc2cc([N+](=O)[O-])ccc2Cl)c(=O)n1CCc1ccccn1 726181816 CSVSLYMHDURVMQ-UHFFFAOYSA-N 497.964 2.138 30 10 JEEE C#CCN(C(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1)[C@@H]1CCS(=O)(=O)C1 729332042 SLYGVPGITXEBBA-OAHLLOKOSA-N 472.997 2.465 30 10 JEEE C=CCn1cc(C=NNc2nc(SCC(=O)N3CCc4cc(OC)c(OC)cc4C3)n[nH]2)cn1 1083906183 RSNBGHHPIGNRNC-UHFFFAOYSA-N 482.570 2.327 30 10 JEEE CCOc1ccc(NC(=O)CSc2nnc(NN=Cc3ccc(OC)c(O)c3)n2N)cc1 1084108644 NWBWGNFLMOEZIH-UHFFFAOYSA-N 457.516 2.282 30 10 JEEE N#CCc1ccccc1CC(=O)N1CC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc21 1124476658 GAGGDHGTZJUCHL-UHFFFAOYSA-N 452.536 2.455 30 10 JEEE CCOC(=O)c1onc(-c2ccccc2)c1NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1128994767 GZTYFILKQNASFO-UHFFFAOYSA-N 454.464 2.196 30 10 JEEE C=C(C)C[C@H](NC(C)=O)C(=O)NCc1cccc(-n2cc(CNC(=O)OC(C)(C)C)nn2)c1 1131864966 JWVKCYODGGJTNP-FQEVSTJZSA-N 456.547 2.379 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(OCC(F)(F)F)nc1 1286297834 DNIHVOCSBFZZSH-ZBFHGGJFSA-N 471.505 2.217 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1CC1(CCOC)CCCC1)[C@@H]1CCS(=O)(=O)C1 1286393664 MAVHMGDBZAHDFH-RBUKOAKNSA-N 450.605 2.006 30 10 JEEE C#CCN(CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCNC(=O)C(C)(C)C 1286450684 XQGBPNWULBNSDK-UHFFFAOYSA-N 465.646 2.265 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2CC2(C(=O)NCC)CCC2)CC1 1286491220 IYWCHKAHFFJSTM-UHFFFAOYSA-N 480.588 2.280 30 10 JEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(c2ccc(O)cc2)CC1 1286495658 BPDYGWTZHPIVAE-INIZCTEOSA-N 463.629 2.344 30 10 JEEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@@H](SCC)C1 1286508453 IDCQFRZQNLZUQL-QZTJIDSGSA-N 487.717 2.089 30 10 JEEE C=C(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1286588998 PXUWIOZZFNMTCJ-INIZCTEOSA-N 452.519 2.070 30 10 JEEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1286607585 SESYAFQFAOJTDS-UHFFFAOYSA-N 455.607 2.011 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCCN(C(=O)c2cccc(C)c2)CC1 1286785160 GNPMHXRHTCJXBU-UHFFFAOYSA-N 461.570 2.247 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCCN(C(C)=O)CC1 1286818497 JMSXLRBSSRNQHD-UHFFFAOYSA-N 470.599 2.096 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCC(C)(F)F 1288861780 DLZDMUXMKHMFRK-OAHLLOKOSA-N 467.546 2.132 30 10 JEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(C2CC2)nn1[C@H]1CCS(=O)(=O)C1 1293827325 WWRMEMDKHXOCAB-HOTGVXAUSA-N 450.561 2.365 30 10 JEEE C=CCNS(=O)(=O)c1cccc(C(=O)NCc2ccccc2-c2cc(C(=O)OC)n[nH]2)c1 1295726532 FBUXRYMAPFMUMP-UHFFFAOYSA-N 454.508 2.258 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCCO3)n2CCC(=O)NC(C)C)c1 1300334489 NGYMTFAOVGYVQT-FQEVSTJZSA-N 452.559 2.491 30 10 JEEE C#CCCCn1c(COc2cc(C)ccc2C)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1300421716 PDNAAKXEXGRSFX-UHFFFAOYSA-N 466.586 2.462 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1CCOc1ccc(Cl)cn1)[C@H]1CCS(=O)(=O)C1 1300485837 ZJRQQMWIHWPXNQ-INIZCTEOSA-N 451.980 2.330 30 10 JEEE C#CCN(c1nnc(-c2ccccc2F)n1CCCC(=O)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1300488343 QZFHCYQSAQAKDT-SFHVURJKSA-N 475.590 2.360 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1CCCCCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1300488589 SXZZVFOVIZZPAW-NRFANRHFSA-N 456.616 2.233 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCN(C)CC(F)(F)F)CC1 1300708541 UBMKLOLFXPBBLR-UHFFFAOYSA-N 475.519 2.368 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCSCC#C)CC1 1300719120 PAHULUFOHYYKJG-UHFFFAOYSA-N 451.552 2.006 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(N2CCCNC2=O)CC1 1300936824 MSXORIRRVSVHGZ-UHFFFAOYSA-N 458.588 2.309 30 10 JEEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1301027650 VEKUQDRGHJHTGX-INIZCTEOSA-N 450.374 2.489 30 10 JEEE C=CCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCN(CC(=O)NC(C)C)CC1 1301454459 YEBPCFFJZSDHII-UHFFFAOYSA-N 478.601 2.069 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cccc(Br)n2)C1 1301555297 AXAQOCACIAGHSR-GDBMZVCRSA-N 482.404 2.167 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCO[C@H](C)C1 1301587430 ZTAUYRLACSMRAI-QGZVFWFLSA-N 486.598 2.062 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N(C)CC(=O)Nc1c(C)cccc1C 1301588063 CAJZVYZHNQBXNO-LJQANCHMSA-N 475.615 2.465 30 10 JEEE CCS(=O)(=O)NCCn1c(-c2ccccn2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1314557462 GICOWLKGSLQHBL-UHFFFAOYSA-N 451.556 2.320 30 10 JEEE CN(C)C(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1314636402 HHVPCMUYLRJNLI-HXUWFJFHSA-N 489.584 2.102 30 10 JEEE C#CCCCCn1c(-c2cc(Br)cn2C)nnc1N1CCN(CCOC)C(=O)C1 1358906127 XCIAUNWVNQEHKJ-UHFFFAOYSA-N 463.380 2.145 30 10 JEEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(c2ncc(F)cn2)CC1 1358906670 PEOCFBBACOJXCV-UHFFFAOYSA-N 483.573 2.408 30 10 JEEE C#CCCCn1c(Cc2cccnc2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 1358932000 VGCXPZDZSHZRKW-FYYLOGMGSA-N 463.630 2.494 30 10 JEEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCN(C)[C@H]1c1cccs1 1358939553 YUOWTOWXFQASFJ-XYJFISCASA-N 450.634 2.102 30 10 JEEE C#CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1359057078 RVCQNCVAWGQBJU-ROUUACIJSA-N 491.687 2.076 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccccc1C 1359070093 FGUODUBHAADVML-NFBKMPQASA-N 457.600 2.154 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(C)(C)N2CCC(OC)CC2)CC1 1359165722 VLMGFAQJGIJMPU-GOSISDBHSA-N 451.637 2.226 30 10 JEEE C=CCCCCn1c([C@@H]2CCOC2)nnc1N1C[C@@H]2[C@@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1359203858 XMDVOKLVQSRKSD-YRXWBPOGSA-N 495.646 2.265 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2COc3ccccc3O2)n1CCS(=O)(=O)N1CCSCC1 1359271751 COGCFUPYHTZPGC-FQEVSTJZSA-N 491.639 2.348 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)[C@H](CC)C1 1359298309 VDVGOMNJGMMDAW-AEFFLSMTSA-N 472.594 2.110 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCCN(Cc2ccc(F)cc2)CC1 1359302450 HUHSDISNRPAUEV-UHFFFAOYSA-N 463.561 2.418 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Br)cc3)n2CCCNS(C)(=O)=O)C1 1359314409 AJIFMRUYWLVFSL-QGZVFWFLSA-N 484.420 2.428 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 1359331010 KHGWIQPBKDCCRC-LJQANCHMSA-N 475.615 2.271 30 10 JEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1507578310 WKKGHYSSMYRUMI-FQEVSTJZSA-N 471.627 2.311 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1507588556 MZIQCAFTLSPHEY-NRFANRHFSA-N 468.583 2.065 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1CCCOC[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 1507630143 UIGFIAXSKGSECU-SFTDATJTSA-N 472.611 2.466 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCc1cccc(OCCC)c1)[C@H]1CCS(=O)(=O)C1 1507632248 KEMZMUFRTHHRRK-RTWAWAEBSA-N 472.611 2.440 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccc(OC(C)C)cc1)[C@H]1CCS(=O)(=O)C1 1507634526 YVOFQMABSHHVKN-PMACEKPBSA-N 458.584 2.244 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@H](C)N(C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1507634847 NRGHRAUAYJYWBF-NZQKXSOJSA-N 478.622 2.416 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC(C)(C)C(=O)NC)CC1 1507735261 PUTFNRHZERZHEL-UHFFFAOYSA-N 474.968 2.476 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2CCN(CC)C2CC2)CC1 1507736970 WQTVHYMQGUJKMW-UHFFFAOYSA-N 450.587 2.404 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1507844965 UGBPROPBKCFOBR-GOSISDBHSA-N 455.625 2.015 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](c2ccc(OC)cc2)C1 1507868227 GCUNQZOLAGWVGC-HKUYNNGSSA-N 482.006 2.366 30 10 JEEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](CC(N)=O)C1 1507868440 KEOARDVBRAKHRG-HOTGVXAUSA-N 468.986 2.431 30 10 JEEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)Cc1ccccc1 1508080591 PYRSBQCIMLTYCL-UHFFFAOYSA-N 453.572 2.177 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CC[C@@H](c3ccco3)C2)nnc1[C@]1(OCC)CCOC1 1508149218 QPNXKLVLWKFGNP-UTKZUKDTSA-N 450.561 2.118 30 10 JEEE C=CCSCCn1c(-c2ccc[nH]2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1508152704 AKLHOJREAHZFQF-UHFFFAOYSA-N 456.576 2.250 30 10 JEEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCO[C@H]2C(C)C)CC1 1508256983 AHIWTCNUHQOEJW-REWPJTCUSA-N 452.559 2.458 30 10 JEEE CC(C)NC(=O)c1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1CCCN1CCOCC1 1509605170 HFKWZBXDSXUKDH-UHFFFAOYSA-N 451.575 2.179 30 10 JEEE CC(C)(C)OC(=O)N1CCC(c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCNS(C)(=O)=O)CC1 1510290083 GDBDWRROHIVAEC-QFIPXVFZSA-N 495.650 2.072 30 10 JEEE Cc1ccc(OCCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@@](C)(C#N)C2)cc1 1511024386 AVZDTCASCIQVLZ-OFNKIYASSA-N 488.614 2.129 30 10 JEEE CCOc1ccc(-c2nnc(N3CCC(C#N)CC3)n2CC2(O)CCS(=O)(=O)CC2)cc1OC 1516264218 CVBCFRRXNBWFTK-UHFFFAOYSA-N 489.598 2.032 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccc1Br 1539125002 JQVDTAJZKAKSSA-GOSISDBHSA-N 496.431 2.423 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1Cc1ccc(OC)c(F)c1)[C@H]1CCS(=O)(=O)C1 1539211691 NGXRCZAAGLPAIJ-KRWDZBQOSA-N 457.531 2.106 30 10 JEEE C#CCN(c1nnc(C2CC2)n1Cc1ccnc(OCC(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 1539217007 ZDDJGUNZIOKNHI-MRXNPFEDSA-N 469.489 2.167 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCc1ccc(N(C)C)cc1)[C@H]1CCS(=O)(=O)C1 1539220468 JONIUDDLTAAVDY-UNMCSNQZSA-N 471.627 2.108 30 10 JEEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1C[C@H]1CCN(CC)C1)[C@@H]1CCS(=O)(=O)C1 1539231078 SLYAYRGOMAESSD-FCHUYYIVSA-N 485.654 2.442 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](C)CNC(=O)OC(C)(C)C)CC1 1539484490 QXXAYONRERYLBF-IBGZPJMESA-N 495.628 2.391 30 10 JEEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1539533994 XAONNJTWNQDXEG-RCCFBDPRSA-N 469.677 2.081 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccn2C)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1539627370 JMRLRTJVDGMQTP-ZJOUEHCJSA-N 477.631 2.295 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCCO1 1540180401 MZHAUGDAOLGBKF-YADHBBJMSA-N 489.642 2.415 30 10 JEEE C=CCNC(=O)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCCC1(C)C 1540874014 RUBZLOZRUMAOJV-UHFFFAOYSA-N 451.619 2.324 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1540900439 VUIYNKNYUGMRHZ-BGYRXZFFSA-N 461.632 2.400 30 10 JEEE CC(C)(C)[S@](=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1541235984 HQHOLFYCULGGHH-PSTIOWGYSA-N 493.655 2.289 30 10 JEEE CCC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1)OC 1546917547 APIVJJFZOBBMKZ-QUCCMNQESA-N 453.547 2.100 30 10 JEEE CCn1nc(-c2nnc(N(C)C[C@H](C)C#N)n2C[C@H]2CCOC[C@@H]2OC)c2ccccc2c1=O 1547737213 HBDBCMBVXRXSDU-HLIPFELVSA-N 465.558 2.322 30 10 JEEE COCCNC(=O)[C@@H]1CN(C(=O)c2ccoc2)CCN1c1ccc(C#N)c(C(F)(F)F)c1 1548367872 SRNYQSRKXCQUJL-SFHVURJKSA-N 450.417 2.264 30 10 JEEE COCCOC[C@H]1CN(C(=O)CNC(C)=O)CC12CCN(c1ccc(C#N)c(C(F)(F)F)c1)CC2 1548406894 VTAVUEDPIDPHGJ-LJQANCHMSA-N 496.530 2.421 30 10 JEEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1C[C@@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1587922244 WSEANKJVERDDSB-LWIATZKVSA-N 489.617 2.413 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1CC[S@@](=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1588065486 ZVXJYQJUSLDXQB-CQGGRAHPSA-N 468.670 2.104 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2Cc2nccn2C(F)F)CC1 1588763375 WUBWYZWYUDAXAF-UHFFFAOYSA-N 487.511 2.366 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC(=O)NCC2CC2)CC1 1588946547 DPYZENJMCQRYSN-UHFFFAOYSA-N 468.989 2.014 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@H]2CCOC[C@H]2OC)CC1 1588961872 POPDMXGRYYTJRS-ISKFKSNPSA-N 495.624 2.491 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2cccc(C)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1589569283 OLKRPWROFGACKK-DWLFOUALSA-N 455.559 2.098 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCCS1(=O)=O 1589663284 KITWZPHWAOJFOI-GOSISDBHSA-N 498.650 2.024 30 10 JEEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1Cc1cccs1 1593746791 NIHBEMZHWRDMGE-ICSRJNTNSA-N 495.671 2.477 30 10 JEEE C=CCC(C)(C)Cn1c(N2CCN(c3cnn(C)c3)C(=O)C2)nnc1[C@]1(OCC)CCOC1 1594533767 GHIVXFGPHAEHOL-QHCPKHFHSA-N 457.579 2.119 30 10 JEEE C=CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@]1(N2CCOCC2)CCSC1 1594866558 DTVZDOXSECDYFK-VXKWHMMOSA-N 451.637 2.149 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H]2COCCO2)C1 1595754904 RECUSVKQTHMWFW-RDGPPVDQSA-N 463.579 2.246 30 10 JEEE C=CCSCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@@](C)(C(=O)NC)C1 1595845769 ZVYUVJLOJOUYGW-JOCHJYFZSA-N 491.687 2.428 30 10 JEEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@H](C)CCNS(=O)(=O)c1ccccc1 1617811292 CNVPETDUNCHODY-OAHLLOKOSA-N 454.556 2.024 30 10 JEEE COc1ccc(Br)cc1CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 1622398095 CASJPBKSJYRJAA-GFCCVEGCSA-N 452.330 2.313 30 10 JEEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N[C@@H]2C[C@H](O)[C@H](O)C2)ccc1Cl 1638745801 ICUUNULDJDNMRI-IDHPPYADSA-N 450.944 2.335 30 10 JEEE C#CCN1CCC[C@@H](NC(=O)[C@@H](CCSC)NS(=O)(=O)c2ccc3ccccc3c2)C1 1644638580 VANZXMQSLPPEDR-IFMALSPDSA-N 459.637 2.454 30 10 JEEE C=CCS(=O)(=O)CCNC(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1 1673737085 LYBAAZOCWITYGX-PYCFMQQDSA-N 456.590 2.002 30 10 JEEE C#CCN(C)c1nnc(COc2ccc(OC)cc2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1689975270 QEDVMANYKJWMBP-WIYYLYMNSA-N 473.599 2.139 30 10 JEEE C#CCN(c1nnc(C(C)C)n1C[C@H](CC)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1689979466 BQUUZQGBHNFZQY-IRXDYDNUSA-N 453.609 2.332 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(F)cc1F)[C@@H]1CCS(=O)(=O)C1 1689997106 WAIJRTUNDYUZRQ-LJQANCHMSA-N 474.537 2.093 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1690031791 XTZCBRVKPKYGBB-GYHWCHFESA-N 485.548 2.137 30 10 JEEE C#CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1690185797 HCWVIOYZWWGNOY-KURKYZTESA-N 474.631 2.431 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CCOc2ccccc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1690251011 OCBDSYDPPUEUIG-PXDATVDWSA-N 482.629 2.091 30 10 JEEE C=C(C)COCCn1c(C2CC2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1690309492 BLMJBDVWIAYZIN-UHFFFAOYSA-N 452.606 2.024 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(c2cccc(OCC)n2)CC1 1690665732 NVTNZAXCEABEEB-UHFFFAOYSA-N 477.569 2.376 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC=C(C)C2)cc1 1690680722 ZQNVSJPDZGSVGH-NRFANRHFSA-N 473.599 2.381 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C1[C@@H]2CCC[C@@H]12 1690724289 LMZIPKUQOAFYGT-KURKYZTESA-N 495.646 2.422 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cccc(C(=O)NC)c1 1705489606 SAYUUBBXVKJJCW-INIZCTEOSA-N 465.583 2.104 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2csc(C)c2)c1 1705504082 MMPVRKRNIPXWPI-MRXNPFEDSA-N 486.623 2.363 30 10 JEEE C#CCCCCn1c([C@H]2CCOC2)nnc1N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 1705516423 BEBMKYRBVVLDFZ-IBGZPJMESA-N 454.550 2.485 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCCc1c[nH]nc1C)[C@@H]1CCS(=O)(=O)C1 1705562356 APKYWLRSIUWJOS-OAQYLSRUSA-N 463.567 2.108 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCC[C@@H]2C)n1 1705631206 WQYWSYHCZILAFB-VQTJNVASSA-N 453.591 2.433 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCN2CCCC[C@H]2C)CC1 1705633924 BVLSMUULYCCLSZ-OAQYLSRUSA-N 484.670 2.368 30 10 JEEE C=C(C)Cn1c(N2CCN(CC(=O)N3CCCCC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1705728339 GUZYHHYNKPYVDO-DEOSSOPVSA-N 460.623 2.029 30 10 JEEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1705729484 ZMLJPYPQUMEXKD-IXFSTUDKSA-N 456.547 2.291 30 10 JEEE C=C(C)COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1705731863 HCDJHPOSXIIVFV-UHFFFAOYSA-N 485.545 2.020 30 10 JEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 1705735879 XSMAEALVHYJIQN-LJQANCHMSA-N 454.579 2.062 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CCN1CCOC[C@H]1C 1705856968 MMJUPMBEUFCHNZ-NQIIRXRSSA-N 454.575 2.151 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCC(=O)N(C)C 1705860031 MVEIPCODDGJXLW-HXUWFJFHSA-N 470.599 2.113 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(-n2nc(C)cc2C)nc1 1705884409 OBSKFGZRSALSLP-HXUWFJFHSA-N 485.614 2.065 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1705898407 KQVGQQPREWHYBA-CTNGQTDRSA-N 498.628 2.200 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCO[C@H](c2nccs2)C1 1705906819 PYMWCOFNSPUHDI-KRWDZBQOSA-N 458.519 2.333 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC(F)(F)F 1705913748 WTDKBKOWTNAEPM-QGZVFWFLSA-N 489.520 2.223 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](C)N2CCC(C)CC2)C1 1705925826 UWJIOFRMSBQTRA-SLFFLAALSA-N 451.637 2.082 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1705932163 NSQJBYHIEYMFGX-INIZCTEOSA-N 459.494 2.489 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(Cc2cc(C)on2)CC1 1705932874 MLMBVDLKNDVVCO-UHFFFAOYSA-N 481.582 2.036 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](c2ccccc2C)C1 1705935852 FHBRQXRBPJATNX-MOPGFXCFSA-N 478.640 2.083 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCN1C[C@H](C)O[C@H](C)C1 1722279399 HFDFTUNPJFDMSZ-GBESFXJTSA-N 459.616 2.306 30 10 JEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(c2ccc(OC)cc2)CC1 1722308107 GFEFXBRYCPJLLY-IBGZPJMESA-N 474.631 2.417 30 10 JEEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1722337893 JTYDGASHYPJGLQ-FQEVSTJZSA-N 470.599 2.250 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CC1CN(C(=O)OC(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1722369018 UZLYCARFZFQASV-RTBURBONSA-N 493.630 2.013 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2cccc3c2OCCCO3)CC1 1722445569 YXJWICGEIGGDJE-LJQANCHMSA-N 497.596 2.178 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2cccc(C(OC)OC)c2)CC1 1722448369 SRIQVAMERQIKRB-JOCHJYFZSA-N 481.597 2.478 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)ccc3C)n2CC[S@@](=O)CC)CC1 1722449612 MTGWSWOYLQTOEV-XIFFEERXSA-N 471.627 2.208 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Br)s3)n2CCNS(=O)(=O)CC)C1 1722716782 YHOPHGLJDGIEGF-ZDUSSCGKSA-N 490.449 2.490 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CCN(C(C)C)CC1 1722731737 QLSDCDMEFMAQKC-UHFFFAOYSA-N 451.568 2.127 30 10 JEEE CCO[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2Cc2ccc(C[S@@](C)=O)cc2)CCOC1 1728794106 FSBWUXQHTODVKO-TUSYCDLHSA-N 461.563 2.299 30 10 JEEE CCS(=O)(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(C)nc2)CC1 1729216117 FZUTXXBEZYSUNL-UHFFFAOYSA-N 465.583 2.477 30 10 JEEE COC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(CS(C)(=O)=O)CC2)C1 1729748852 FUOHUFVCCDVRHP-GOSISDBHSA-N 457.556 2.031 30 10 JEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(S(=O)(=O)c2ccccc2)CC1 1740589910 CJIHTEVKCSBAQM-SFHVURJKSA-N 476.624 2.036 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H](OC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1740619179 MNDGPNDVRRLAIC-WIYYLYMNSA-N 476.599 2.260 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C 1740671289 CULWISGNDFPVHY-RCCFBDPRSA-N 465.620 2.285 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@](C)(O)[C@H](C)CC)CC1 1740707227 UTOKCPBSVDGXBG-MWTRTKDXSA-N 458.632 2.397 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCC2(COC)CCC2)CC1 1740708292 KOULSYBGEPFZHU-UHFFFAOYSA-N 467.618 2.312 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(OCC(N)=O)CC1 1740763983 SKURMJZGVPWHQT-YADARESESA-N 480.569 2.181 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1740799439 MCIBDJHSVHWJRY-IPMKNSEASA-N 469.652 2.307 30 10 JEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CC(=O)N(c3ccccc3)C2)CC1 1740818713 RJTMRMXRURWHNN-ZWKOTPCHSA-N 458.588 2.098 30 10 JEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(COC)CC1 1740865708 UZEUGUJFKODUBM-SFHVURJKSA-N 455.625 2.220 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@]2(C)COCCO2)C1 1740970418 KVWWEHOQMGZDKJ-CVDCTZTESA-N 475.977 2.448 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(c2ccccc2Cl)CC1 1740991912 IEDMCSLEWSZOIR-KRWDZBQOSA-N 466.007 2.363 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(C)CCC1)[C@@H]1CCS(=O)(=O)C1 1748806156 ZXJBFQLBBFGOJS-GCJKJVERSA-N 450.605 2.136 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1748944471 YFFCQPLPOAELCA-XTQSDGFTSA-N 472.484 2.040 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@](C)(OC)C1CC1 1748960845 OTBPSLRQRGYFSO-XMMPIXPASA-N 450.543 2.093 30 10 JEEE C=C(Cl)Cn1c(CCCc2ccccc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1749276148 RTKASLLCJZDMMK-UHFFFAOYSA-N 456.978 2.133 30 10 JEEE C=C(Cl)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1749276310 HXZVWWWHTNKFMJ-GOSISDBHSA-N 471.009 2.306 30 10 JEEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN1CCC[C@@H]1C 1749597914 PYIXCGUODSVQAY-SFHVURJKSA-N 451.575 2.315 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC(CC(=O)NC2CCCC2)CC1 1749731520 GGCICIIOEXNDQP-FQEVSTJZSA-N 493.674 2.438 30 10 JEEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1749740320 CLIOCLJDBDRIEC-KRWDZBQOSA-N 454.560 2.156 30 10 JEEE C#CCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 1760150710 RLRNSQQFXLZFQG-OAQYLSRUSA-N 470.599 2.107 30 10 JEEE C#CCN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1760170247 VZBVRFSKMCIBNP-QFIPXVFZSA-N 460.586 2.143 30 10 JEEE C#CCN(c1nnc([C@H]2COc3ccccc3O2)n1CC(C)(C)CCOC)[C@@H]1CCS(=O)(=O)C1 1760186947 SCTYRMRWQSQLKX-WIYYLYMNSA-N 488.610 2.480 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1Cc1cc(F)ccc1OC)[C@@H]1CCS(=O)(=O)C1 1760189965 MRIPPYSPAHDMLG-LJQANCHMSA-N 489.598 2.457 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](CC=C)c1ccccc1 1760205665 HCRNFMCGPWIFOK-FGZHOGPDSA-N 467.595 2.044 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(-n2ccnc2)c(F)c1 1760218513 IEZILGBLNAOYPQ-IBGZPJMESA-N 466.542 2.016 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2ccccc2C)CC1 1760233895 QPXPHVVHNDTFHD-FQEVSTJZSA-N 457.600 2.111 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)on2)n1CC1(S(C)(=O)=O)CC1 1760247659 KDVDZXOIQMGADH-UHFFFAOYSA-N 455.540 2.263 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H](C)N1CCC(C)CC1 1760247868 STJOZZAZSBHUMU-FQEVSTJZSA-N 477.613 2.398 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccc(S(C)(=O)=O)c3)n2[C@H]2C[C@H]2C)n1 1760252885 SRPHDCOOZWALQR-UTKZUKDTSA-N 468.583 2.412 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@H]2N(C)CCCC2(C)C)CC1 1760265888 LJMSFGCPVGKELK-FPOVZHCZSA-N 474.650 2.088 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H]2CSCCS2)CC1 1760268862 QMDBSGUEPLTBMT-SFHVURJKSA-N 456.641 2.463 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@H](c2ccccc2)N(C)C)CC1 1760269310 FBVZJEUUSOYODV-FCHUYYIVSA-N 450.587 2.051 30 10 JEEE C=C(Br)Cn1c(-c2cnccn2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1760305411 DTCMVGISYMBUFU-UHFFFAOYSA-N 472.307 2.274 30 10 JEEE C=C(Br)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1760310375 CSBLIGKNKATBJI-GDBMZVCRSA-N 495.447 2.335 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2OC)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1760320222 TZNNBSUFVYVCEG-TYYYZTEESA-N 456.543 2.295 30 10 JEEE C=C(C)COCCn1c(N2CCN(C(=O)c3ccco3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1760361004 DDYDPZIAYPFIKS-DEOSSOPVSA-N 473.574 2.467 30 10 JEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCc2cc(OC)ccc21 1760465023 VEOSQZBSDVENOJ-WIYYLYMNSA-N 475.615 2.362 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(Cc2csc(CC)n2)CC1 1760524467 YJSPMMVTJNWSSG-SFHVURJKSA-N 459.620 2.163 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N(C)C[C@@H]1CN(CC)c2ccccc2O1 1760525840 UEKAIABGKQRVBR-HXUWFJFHSA-N 461.570 2.290 30 10 JEEE Cc1noc(CCCn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)n1 1762675600 GFRVDBPVRDZCNM-IBGZPJMESA-N 498.613 2.249 30 10 JEEE CO[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1)C(C)C 1768131626 GCKIGGILHKGMDW-VXKWHMMOSA-N 482.585 2.227 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)CN3CCN(S(=O)(=O)c4cccc(Cl)c4)CC3)cc21 1858635041 RPYLUPJWBKSJEW-UHFFFAOYSA-N 489.981 2.441 30 10 JEEE COc1ccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCCN2CCOCC2)cc1O 1862593312 GIRSFCKRALHNRS-JOCHJYFZSA-N 468.506 2.407 30 10 JEEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1862635944 VQRJWHDYXXSXKL-PRWKNARSSA-N 484.417 2.054 30 10 JEEE N#C[C@H](c1cccs1)N1CCC(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC(O)CC2)CC1 1868782992 NRUCWMYLVREBPT-XZOQPEGZSA-N 496.633 2.441 30 10 JEEE CC(C)[C@@H](C(=O)Nc1c(C#N)nnn1-c1ccc2c(c1)OCO2)N1C(=O)c2ccccc2C1=O 1870143681 WMNKOACHUHARTN-IBGZPJMESA-N 458.434 2.127 30 10 JEEE CCc1sc([C@H](C#N)C(=O)CN2CCN(CCO)CC2)nc1-c1ccc(OC)c(OC)c1 1872799838 MGCRLGPQOKFOQG-QGZVFWFLSA-N 458.584 2.176 30 10 JEEE N#CC1CC(O)(C[S@@](=O)C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)C1 1990667675 GPLMKDFBFUWUKH-ASOBOSFESA-N 468.531 2.392 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CCC(N)=O)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2206157151 DYVOKZRKSLIFON-INIZCTEOSA-N 465.331 2.222 30 10 JEEE CN(CCC#N)C(=O)CN1CCN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)CC1 2220634704 UXGNBIFLRVIRPQ-UHFFFAOYSA-N 453.584 2.148 30 10 JEEE CC1(NC(=O)OC(C)(C)C)CN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2247963068 TVQBWDJXYAYXNV-UHFFFAOYSA-N 458.411 2.335 30 10 JEEE COCC1(NC(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2255810586 MADLDBAFZMXVPV-UHFFFAOYSA-N 452.382 2.413 30 10 JEEE C[C@@H](CCNC(=O)OC(C)(C)C)NC(=O)c1nn(C)c(Cl)c1B1OC(C)(C)C(C)(C)O1 2255819980 JSWCBWSWOAHDSJ-LBPRGKRZSA-N 456.780 2.406 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1COCC[C@@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2256637784 ZOKZXHMRCWQYHB-QWHCGFSZSA-N 453.370 2.311 30 10 JEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CCOC[C@@H]1CNC(=O)OC(C)(C)C 2267007054 WMBTUIWIGGGIKB-HNNXBMFYSA-N 450.341 2.253 30 10 JEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1C[C@H]2C(NC(=O)OC(C)(C)C)[C@@H]2C1 2267423686 PSMZINIFHPEQSD-ZIAGYGMSSA-N 484.449 2.499 30 10 JEEE CC1(C)OB(c2scnc2CS(=O)(=O)NCc2cnn(Cc3ccccc3)c2)OC1(C)C 2267465076 LYBLBFFYIWFWTP-UHFFFAOYSA-N 474.417 2.307 30 10 JEEE C[C@@H]1CCN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C[C@H]1NC(=O)C(F)(F)F 2267465657 PVGUERFESRBDLJ-DGCLKSJQSA-N 482.355 2.125 30 10 JEEE CC(C)(C)OC(=O)N1CCCO[C@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)C1 2267535530 XQJBYZPVIWVCLO-CQSZACIVSA-N 467.397 2.198 30 10 JEEE CC(C)(C)OC(=O)N1CCC(NS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)CC1 2267706006 PTTHULJCJIIICD-UHFFFAOYSA-N 487.453 2.261 30 10 JEEE C[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2267713823 RQQXVPRVVOGMFQ-RYUDHWBXSA-N 482.355 2.267 30 10 JEEE COCCN(CCNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2267729527 MLNXUTBRDVAQPP-UHFFFAOYSA-N 490.453 2.209 30 10 JEEE CC(C)(C)OC(=O)N1CC(CO)(CNC(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2F)C1 2281771286 WZARBRZVHFKZEV-UHFFFAOYSA-N 464.343 2.084 30 10 JEEE C[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2281825839 BZYYGTCMNMVJIP-HZPDHXFCSA-N 462.400 2.485 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@]2(C[C@H](NC(=O)c3sncc3B3OC(C)(C)C(C)(C)O3)CO2)C1 2282029379 RGKSHPMAOPMFDT-FPTDNZKUSA-N 479.408 2.341 30 10 JEEE C[C@H]1CN(S(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)[C@H](C)CN1Cc1ccccc1 2282490205 JAJLTRIQTLTWJK-ZWKOTPCHSA-N 474.436 2.003 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC1CC2(C1)CN(C(=O)OC(C)(C)C)C2 2282527604 FSRKFZATPXUSIN-UHFFFAOYSA-N 460.384 2.096 30 10 JEEE CCn1cc(C(=O)NC2[C@H]3C[C@H]2CN(Cc2ccccc2)C3)nc1B1OC(C)(C)C(C)(C)O1 2282536667 GFULEVJXCRCCQE-OALUTQOASA-N 450.392 2.453 30 10 JEEE Cc1c(C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@H]3C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282558260 HJEHZQCVHUPJLV-PMACEKPBSA-N 450.392 2.374 30 10 JEEE C[C@H]1CC[C@@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2282629421 VPYKPIGQUXVNIZ-HOTGVXAUSA-N 462.400 2.485 30 10 JEEE C[C@H]1CN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C[C@H](C)N(C(=O)OC(C)(C)C)C1 2283061795 NCYMQFBLVKZTPW-HOTGVXAUSA-N 460.384 2.493 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@@](F)(CNC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2283069472 PVZGNZXDKOSZER-JOCHJYFZSA-N 464.347 2.245 30 10 JEEE COC(=O)C1(NC(=O)OC(C)(C)C)CC(Oc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2284463471 WQUVQYWFSVNVEH-UHFFFAOYSA-N 466.315 2.498 30 10 JEEE COc1ccc(C(O)=C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccc(OC)c2OC)cc1 2295982171 WBQZIPOYIAATRJ-JOCHJYFZSA-N 482.533 2.466 30 10 JEEE CC1(C)OB(c2cscc2S(=O)(=O)N[C@H](CCO)COCc2ccccc2)OC1(C)C 2320500887 XQCQAOZLRFZUPW-QGZVFWFLSA-N 467.418 2.293 30 10 JEEE Cc1nc(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)s1 2359267062 MQDVXKZDVGZMKR-RBSFLKMASA-N 481.424 2.145 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)n1C 2362330364 AKCSVYSGQOWPFU-HZPDHXFCSA-N 462.400 2.451 30 10 JEEE COc1[nH]c(=N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2OC)ccc1B1OC(C)(C)C(C)(C)O1 2365348301 OOTSSRXMUVNGDT-SJORKVTESA-N 463.384 2.248 30 10 JEEE COc1ccc(CCNC(=O)c2cccc(/N=C3\N[C@H]4CS(=O)(=O)C[C@H]4S3)c2)c(OC)c1 9530071 GCNIWCNOYQDBHF-AZUAARDMSA-N 475.592 2.166 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)N3CCC(NS(=O)(=O)c4cccs4)CC3)cc2C1=O 30999979 MIJVERSBBCQXAP-UHFFFAOYSA-N 459.549 2.113 30 10 JEEE CCCNC(=O)CN1CCN(/C(=N\c2cccc(C(=O)O)c2)NCCc2ccccc2)CC1 46022040 FTYAVYQOYZIXOV-UHFFFAOYSA-N 451.571 2.348 30 10 JEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCC(N2CCNC2=O)CC1 514472717 DGUXWTGODTZMMF-UHFFFAOYSA-N 451.321 2.114 30 10 JEEE N#Cc1nccnc1OC1CCC(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)CC1 585355891 RSBBDIOMLIJCML-UHFFFAOYSA-N 455.540 2.253 30 10 JEEE COCCn1c(=C(C#N)C(=O)Nc2cccc3ccccc23)sc(=Cc2cnn3ccccc23)c1=O 729671081 CWTZRIYKVIZMNB-UHFFFAOYSA-N 495.564 2.499 30 10 JEEE O=C(CSc1n[nH]c(NN=Cc2ccco2)n1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 1084165543 NDYAWWQPCGRLJO-UHFFFAOYSA-N 475.556 2.359 30 10 JEEE C#CCCCCn1c(N2CCN(CC(=O)N3CCCCCC3)CC2)nnc1[C@]1(OCC)CCOC1 1286333788 BQGRIORWNWJFCI-SANMLTNESA-N 486.661 2.258 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2ccccc2F)n1CCC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1286382320 ADQLYYALDQTDLW-QZTJIDSGSA-N 476.574 2.489 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(Cl)s1)[C@H]1CCS(=O)(=O)C1 1286382357 RIFSNMURXMGZCP-AWEZNQCLSA-N 490.998 2.315 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1CCOCc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1286386620 DWWLBOKNVZGQQA-FQEVSTJZSA-N 481.578 2.192 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1CCCN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1286387417 QVDRLTSEXJQWKX-FQEVSTJZSA-N 471.627 2.456 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCNC(=O)c1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1286388714 UVMAYSBUHAZRHR-HXUWFJFHSA-N 481.578 2.212 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1286394272 IAWYRMCZTZMUSC-CTNGQTDRSA-N 458.584 2.280 30 10 JEEE C#CCN(CCOC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCCN1CCOCC1 1286465969 CPSBJFOWKZVYPD-UHFFFAOYSA-N 490.649 2.201 30 10 JEEE C#CCN1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCCCSC)CC1 1286480432 WLXKCXCOQYEEEX-UHFFFAOYSA-N 451.600 2.090 30 10 JEEE C#CCSCCn1c(Cc2ccncc2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1286508487 SGOPFAJHMOISNI-OFNKIYASSA-N 481.670 2.009 30 10 JEEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1286633054 DMZRNBPPVHACIR-UFYCRDLUSA-N 453.031 2.359 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCO[C@H](C(F)(F)F)C1 1286820250 IBYVPPXAXUEYHS-IRXDYDNUSA-N 488.488 2.159 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCN(CC(=O)N(C)C3CCCCC3)CC2)nnc1C(C)(C)C 1286825499 RHSDGKNICCOWAG-UHFFFAOYSA-N 494.706 2.090 30 10 JEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@H](C)c1cccc(N2CCOC2=O)c1 1300381418 RBOHBJVSJDOYHO-DLBZAZTESA-N 474.587 2.456 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ncccc1C 1300537296 DCQQNKKRXYIXDL-FQEVSTJZSA-N 450.543 2.411 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN1C1CCCCC1 1300578329 LEZXIZHODICXSH-IFMALSPDSA-N 457.644 2.440 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2CCN(C)CC(F)(F)F)CC1 1300685842 SYTKBMYZNOMKIQ-UHFFFAOYSA-N 488.356 2.295 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 1300843658 DFDWULUCHQFYJD-FPMFFAJLSA-N 469.384 2.487 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(Br)cn2C)nnc1N1CCN(C)C(=O)C1 1300868882 IBXBPYUPNNSGAG-KSSFIOAISA-N 463.380 2.306 30 10 JEEE C=C(C)COCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(CNS(C)(=O)=O)CC1 1300980216 FWKCZNKSRXNBET-UHFFFAOYSA-N 477.587 2.032 30 10 JEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1Cc2ccccc2O[C@@H](C)C1 1301223008 LEDKKBFPAJIBJC-PXNSSMCTSA-N 461.588 2.365 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C)CN1CCOCC1 1301340265 XUIMDFIATFQRII-KNQAVFIVSA-N 463.586 2.262 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[C@@H]1[C@H]1CCCO1 1301483305 NRHDWNAYIXNSRI-QZTJIDSGSA-N 471.558 2.421 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCCC1 1301584475 AYNWVTNPWNOYTC-UHFFFAOYSA-N 456.572 2.437 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CCN(c2ccccn2)CC1 1301587424 VJDSVNVCBUQJPF-UHFFFAOYSA-N 466.611 2.386 30 10 JEEE CC(C)OCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCO[C@@H](C#N)C1 1303561214 DZRITRGKODHCPO-KRWDZBQOSA-N 451.531 2.390 30 10 JEEE C=CCOc1ccc(CC(=O)N2CCN(c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])CC2)cc1 1353533898 IPKMGOWMAOQBND-UHFFFAOYSA-N 459.524 2.454 30 10 JEEE C#CCN(c1nnc(-c2cc3c(s2)CCCCC3)n1CC(=O)NCCC)[C@@H]1CCS(=O)(=O)C1 1358958040 GJNLNUFOGJELEL-GOSISDBHSA-N 489.667 2.428 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@@]2(OC)CCOC2)CC1 1359031596 IJCWUSKGBIFUET-IBGZPJMESA-N 466.405 2.330 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@@]2(OC)CCOC2)CC1 1359041033 LSOZQGVERJYDAC-CJAUYULYSA-N 485.560 2.329 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CCNC(=O)c2ccc(C)c(F)c2)CC1 1359043723 FQWGZVJJHOBZPA-UHFFFAOYSA-N 489.555 2.183 30 10 JEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1359227854 NYESGXHCJMZOLA-QRVBRYPASA-N 495.646 2.076 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)Cc1csc(CC)n1 1359293889 CKTIFSITXNSCCF-UHFFFAOYSA-N 474.612 2.306 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1359295163 RXPDWEKXBQAJCO-UHFFFAOYSA-N 452.515 2.321 30 10 JEEE C=CCSCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCS(=O)(=O)CC1 1359340976 HSCWHXYVZDGJEX-UHFFFAOYSA-N 488.639 2.219 30 10 JEEE C#Cc1cccc(NC(=O)NC(=O)CN(C)[C@H]2CCN(c3cc(OC)cc(OC)c3)C2=O)c1 1473259069 DEZKBNBGVHLDRX-NRFANRHFSA-N 450.495 2.071 30 10 JEEE CC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCOC[C@H]2OC)CCN1CCOC 1499680516 HMRVFOLLIPXRPG-DNVJHFABSA-N 468.602 2.415 30 10 JEEE CNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(COC)CCOCC2)CC1 1503767645 GQUORYRQDSHMGP-UHFFFAOYSA-N 482.585 2.134 30 10 JEEE COc1cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCN2CCCCCC2=O)cc(OC)c1OC 1504078363 HOUMKLKFXBWRBT-IBGZPJMESA-N 498.584 2.492 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(Cc2csc(C)n2)n1CCNS(=O)(=O)c1ccc(C)s1 1507540750 IMOLBMKTKDWREC-CYBMUJFWSA-N 464.642 2.440 30 10 JEEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H]1c1nncn1C 1507588063 FHCACKBKMWXJAC-MSOLQXFVSA-N 470.578 2.470 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(OCCC(C)C)CC1 1507588348 KLPFRBCVIAKXBA-FQEVSTJZSA-N 467.636 2.056 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1CCc1ccc2c(c1)OCCO2)[C@@H]1CCS(=O)(=O)C1 1507623668 VLAPKQBPVWLHKT-GOSISDBHSA-N 458.584 2.216 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1CCN(CC)CCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1507629776 PYPZHMQRGOHCJX-KRWDZBQOSA-N 484.548 2.241 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC(=O)NC(C)C 1507650307 HMVVCGQGUAVLFK-LJQANCHMSA-N 456.591 2.380 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2CC2(O)CCN(C(C)C)CC2)CC1 1507735246 PKVKKWQRJQVIKP-UHFFFAOYSA-N 464.614 2.146 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(COC(C)(C)C)on1 1507765678 UJGNODKJEJENBP-YCRPNKLZSA-N 464.592 2.232 30 10 JEEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1507779376 NPHBEIVODUQRAI-MSOLQXFVSA-N 471.444 2.127 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCN(C)[C@H]1c1cccs1 1507980658 HPFARYUMLQRCBQ-WSTZPKSXSA-N 494.687 2.378 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCNc2nccc(C(F)(F)F)n2)C1 1508108533 HMOBVGYWYTWJMC-CQSZACIVSA-N 468.484 2.119 30 10 JEEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2ncn(C)n2)CCN1C(=O)OC(C)(C)C 1520678783 FCQMUVPBWRQSDR-MRXNPFEDSA-N 463.546 2.439 30 10 JEEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CCc1ccccc1C)[C@@H]1CCS(=O)(=O)C1 1539205690 JHBJKNBFYYUNJW-RCZVLFRGSA-N 486.638 2.497 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1CCCCN1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1539210596 FHEYMCQOXSQRPL-LEWJYISDSA-N 470.643 2.479 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1Cc1nccc(C(F)F)n1)[C@@H]1CCS(=O)(=O)C1 1539225005 LCZUFDCEIKLOEC-OAHLLOKOSA-N 478.550 2.333 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H](C)N(C)c2ccccc2)CC1 1539428262 OJCJEODMMQPWTB-HXUWFJFHSA-N 451.619 2.477 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CC(F)(F)CNC(=O)OC(C)(C)C)CC1 1539476371 XHGYHPINVBBLTK-UHFFFAOYSA-N 491.543 2.399 30 10 JEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)c2ccccc2)CC1 1539497126 KKRHBKYGAGNAED-KRWDZBQOSA-N 475.640 2.354 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](Oc2ncccc2F)C1 1539517452 NZHOHCPYRGZIFZ-DLBZAZTESA-N 479.603 2.129 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1CC(F)(F)CNC(=O)OC(C)(C)C 1539556107 KBORLEFMVDBSQJ-VBKZILBWSA-N 452.506 2.381 30 10 JEEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(C(N)=O)cc1 1540077442 LREULPJKTBAXBU-SFHVURJKSA-N 456.547 2.356 30 10 JEEE C=CCN(CCOC)c1nnc(-c2cnccn2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1540196020 MMJGDLKVBCTJPY-SFHVURJKSA-N 450.547 2.042 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1540904099 JAINXOHNCMFNPP-HXUWFJFHSA-N 455.588 2.211 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1540907353 TWCPPXDAWDMDQG-UHFFFAOYSA-N 489.690 2.284 30 10 JEEE CC(=O)N1CCc2c(sc(NC(=O)CN3C(=O)NC4(C[C@H](C)C[C@@H](C)C4)C3=O)c2C#N)C1 1540918763 URMLSBRIFWLVEN-CHWSQXEVSA-N 457.556 2.210 30 10 JEEE CCS(=O)(=O)N(C)CCCn1c(C)nnc1N1CCN(c2c(C#N)cnc3ccccc23)CC1 1548325452 CTIKQJOHVADTEL-UHFFFAOYSA-N 482.614 2.005 30 10 JEEE C=C(C)[C@H](NC(=O)c1cc(S(=O)(=O)NCC(N)=O)ccc1Cl)c1ccc(F)c(F)c1 1556261546 NHQTUBNNJTXIFR-SFHVURJKSA-N 457.886 2.429 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1CCOCCS(C)(=O)=O 1587575082 PWXAIUQADXJHRD-AWEZNQCLSA-N 455.378 2.227 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1588028827 ACVKALWWDDFWMF-OAQYLSRUSA-N 485.610 2.201 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@H](CC)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1588045886 SNCLIZAJMHYXAZ-FCHUYYIVSA-N 466.611 2.318 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CCC1(COC)CCC1)[C@@H]1CCS(=O)(=O)C1 1588064442 IFFPHYRRXFJFDS-HXUWFJFHSA-N 457.600 2.097 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1C[C@H](c1ccccc1OC)N1CCCC1 1588074155 KNTZSNYQIAWKEW-JOCHJYFZSA-N 460.582 2.433 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CCn2cc(Cl)cn2)CC1 1588763442 XSBDWNAGALWQDH-UHFFFAOYSA-N 485.976 2.276 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Cl)n2CCCc2cnn(C)n2)CC1 1588914139 XXOWVXHXIMZPNF-UHFFFAOYSA-N 466.977 2.326 30 10 JEEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1589110143 PQTYEQQKWHNRNZ-MRXNPFEDSA-N 469.537 2.011 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1594497367 GFBOEMRHNZPWQV-QGZVFWFLSA-N 490.630 2.478 30 10 JEEE C=CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@]1(N2CCOCC2)CCSC1 1594866559 DTVZDOXSECDYFK-YADHBBJMSA-N 451.637 2.149 30 10 JEEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCN(Cc2ccc(OC)cc2)C(=O)C1 1595460999 LFDHYHXRBHTVHY-UGKGYDQZSA-N 455.559 2.436 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCC(N2CCCCC2=O)CC1 1595595414 UIESCZATGWGIKH-UHFFFAOYSA-N 482.585 2.149 30 10 JEEE C=CCNC(=O)Cn1c(N2CCN(C3CCC(C)CC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1595602249 HXEQLDGHQWWMOF-BAWHURIHSA-N 474.650 2.322 30 10 JEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCc1cnc(SC2CCCC2)nc1 1637784686 FNMFYGSQLCLCCF-HNNXBMFYSA-N 459.597 2.409 30 10 JEEE N#Cc1cc(Cl)ccc1S(=O)(=O)NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1 1661859512 FXYNIYXERNVRKO-UHFFFAOYSA-N 453.351 2.492 30 10 JEEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1689924604 MROJWVSWBLIDCJ-QGZVFWFLSA-N 473.603 2.367 30 10 JEEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1689942642 ASROEXNQGZOXNJ-GMAHTHKFSA-N 458.651 2.410 30 10 JEEE C#CCN(c1nnc(C2CC2)n1CCCN(C)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1689988608 SMTWYZYIHHYCTR-QGZVFWFLSA-N 451.593 2.039 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CC1CCN(C(=O)OC)CC1 1690100892 GVBGHRZATFSWQY-UHFFFAOYSA-N 479.541 2.158 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccc(OC)cc2OC)CC1 1690113556 MZPNMTJQZZSDTK-RUZDIDTESA-N 469.586 2.139 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2CCCN(CC)S(C)(=O)=O)CC1 1690122441 QWRFUIUDMQYSCW-UHFFFAOYSA-N 497.625 2.027 30 10 JEEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1690132269 NJTRNUHMYGGLLF-QHCPKHFHSA-N 464.614 2.488 30 10 JEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](C(=O)N(C)c2ccccc2)C1 1690170512 LJUCDUIXLAYBOD-HKUYNNGSSA-N 452.584 2.085 30 10 JEEE CCS(=O)(=O)N(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](C(F)(F)F)C1 1696488970 BRIDFULASAENDY-KRWDZBQOSA-N 486.520 2.256 30 10 JEEE CO[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1697123466 AUBBVTUSYAYLGQ-GOEBONIOSA-N 466.464 2.268 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)cc1OCCOCC 1705494915 IBACHPVIQMSBDA-UYAOXDASSA-N 460.600 2.410 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1Cc1ccnc(OC(F)F)c1)[C@@H]1CCS(=O)(=O)C1 1705560902 OGIRRBBWFCFFGY-GDBMZVCRSA-N 453.515 2.463 30 10 JEEE C#CCN(c1nnc(C2CCC2)n1CC(=O)Nc1c(C)cccc1C)[C@H]1CCS(=O)(=O)C1 1705564156 ATYGZWQSWXUBDC-IBGZPJMESA-N 455.584 2.428 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CCC1(COC)CCC1)[C@H]1CCS(=O)(=O)C1 1705570289 OAZHHELUVSZRBF-FQEVSTJZSA-N 457.600 2.097 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC(F)(F)F)cc1 1705583194 SBDFIOINMODGJU-INIZCTEOSA-N 452.458 2.200 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2CCC2(O)CCOCC2)CC1 1705650139 NBGPOHHNYOWGKN-UHFFFAOYSA-N 465.598 2.075 30 10 JEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 1705739689 NJMHDOPMFUMAQK-UHFFFAOYSA-N 487.004 2.495 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)NCC(F)(F)F 1705861510 HMTXITRSAVJYTL-MRXNPFEDSA-N 471.505 2.051 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)c2ccsc2)CC1 1705898527 OOIMHEMDJJLAHA-UHFFFAOYSA-N 466.567 2.280 30 10 JEEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 1705943250 SJWXNVRHZIYLQE-OAQYLSRUSA-N 453.616 2.453 30 10 JEEE CC(=O)NC1CCC(N(C)c2nnc(-c3cccc(C#N)c3)n2CC2(S(C)(=O)=O)CC2)CC1 1706013524 BDVUOZLJHMNJSR-UHFFFAOYSA-N 470.599 2.277 30 10 JEEE CC(C)C[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1)N(C)C 1706369188 BRCBKRPOYJSMBA-TZIWHRDSSA-N 474.631 2.328 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1Cc1ccco1 1706884548 GCQFAFURJAWOTP-GOSISDBHSA-N 483.598 2.114 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccc(C)n3)n2CCCn2ccnn2)c1 1722310135 SXCQEJBZMIIVAS-UHFFFAOYSA-N 455.526 2.387 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CC1(C(=O)N(C)C)CCCC1)[C@H]1CCS(=O)(=O)C1 1722358366 AVPQVJWFUFFNIB-SFHVURJKSA-N 473.599 2.122 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H](c1ccco1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1722358624 DUKOFXILWBCNFF-UXHICEINSA-N 498.565 2.376 30 10 JEEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CC1(C)CCCC1)[C@@H]1CCS(=O)(=O)C1 1722365415 NVKKFTHDEFEBOY-XMSQKQJNSA-N 450.605 2.137 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1Cc1cnn(CC)c1)[C@H]1CCS(=O)(=O)C1 1722371142 UHNPHHLTAXPWMV-FQEVSTJZSA-N 468.583 2.057 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@]2(O)CCO[C@H]2C)CC1 1722433929 JAMQCKGXECNUPC-KKSFZXQISA-N 460.376 2.003 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@@]2(C)CN(C)C2=O)CC1 1722443257 QFAFYOUETQSFSF-XMMPIXPASA-N 484.988 2.051 30 10 JEEE C#CCSCCn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCN2C(=O)NC[C@H]2C1 1722454589 MXPOCVPXFITIKN-SFHVURJKSA-N 470.599 2.323 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2F)CC1 1722535951 ANWSBHHUODBPMB-SFHVURJKSA-N 463.579 2.239 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(c2cnn(C)c2)CC1 1722688327 BRZCYGKXKQIUGA-KRWDZBQOSA-N 484.992 2.434 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H](C)CN1CCOCC1 1740562917 OZZNZISFCOTWOF-WTGUMLROSA-N 460.623 2.475 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CCc1ccsc1)[C@H]1CCS(=O)(=O)C1 1740616905 IRGNRGXLAMGZRI-UGKGYDQZSA-N 478.640 2.250 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Br)n1Cc1ccn(C)n1)[C@@H]1CCS(=O)(=O)C1 1740619616 KMYHMSXOVOSELR-MRXNPFEDSA-N 489.399 2.116 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@](C)(O)c1ccco1)[C@H]1CCS(=O)(=O)C1 1740626062 VKMLEYQKMYKDBH-UWJYYQICSA-N 460.581 2.058 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC2CCCC2)nc1 1740640318 KLLHTCKKFQXRER-LJQANCHMSA-N 453.568 2.018 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1cnn(CC(C)C)c1C 1740684184 KWOYYZSPCHPSTE-UHFFFAOYSA-N 488.596 2.487 30 10 JEEE C#CCN(CCOC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCC1(O)CCOCC1 1740684835 COKFNRQHLZBGGZ-UHFFFAOYSA-N 491.633 2.410 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)(C)C)n2Cc2cccnc2N2CCOCC2)n1 1740687420 DKMQKBBJUWYXPB-UHFFFAOYSA-N 492.628 2.338 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2Cc2csc(COC)n2)CC1 1740706972 KESRJHWYVSVNGI-UHFFFAOYSA-N 485.639 2.251 30 10 JEEE C#CCSCCn1c(CCc2ccc(OC)cc2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1740719977 NWVPHXVVMCKPLM-HSZRJFAPSA-N 455.584 2.469 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1740749829 FYDZRDXXZHTZBW-MOPGFXCFSA-N 458.607 2.190 30 10 JEEE C=C(C)Cn1c(Cc2ccccc2OC)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1740783118 OGXYEJLTQNCWPI-UHFFFAOYSA-N 485.614 2.006 30 10 JEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](c2cccc(OC)c2)N(C)C)CC1 1740818889 XVWMEFIUQMCNMW-FXAWDEMLSA-N 462.620 2.356 30 10 JEEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1740867248 CCVLNIDBQVLSOY-CQSZACIVSA-N 451.453 2.396 30 10 JEEE C=CCCCn1c(C(C)C)nnc1N1C[C@@H]2[C@H](C1)[C@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1740868170 FYMXTBAAEBTNGK-BRWVUGGUSA-N 453.609 2.494 30 10 JEEE C=CCNC(=O)Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CC(=O)N(C)C[C@@H]1C 1740962949 UNMJMZGBNYIIQL-KRWDZBQOSA-N 474.993 2.221 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1740969523 QJSAXKXJGLFCTF-MISYRCLQSA-N 476.599 2.033 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CCCn1cc(CO)nn1 1748655687 DOPVUFCWJNJDLC-CQSZACIVSA-N 474.363 2.348 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CC3)n2C[C@H](C)N2CCN(CC)CC2)c1 1748694850 QUODAFKXDTYBTG-FQEVSTJZSA-N 463.630 2.313 30 10 JEEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1748697450 IQTNXFUKJKEWEV-RBBKRZOGSA-N 492.628 2.108 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1CCOc1c(C)cccc1C)[C@H]1CCS(=O)(=O)C1 1748811153 CKRWNBGQNWAVEO-IBGZPJMESA-N 466.567 2.058 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@](C)(O)CCC(C)C)[C@@H]1CCS(=O)(=O)C1 1748819026 IUEUINIWGUPFJJ-NFBKMPQASA-N 459.616 2.078 30 10 JEEE C#CCN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1(S(C)(=O)=O)CCC1 1748905476 FGQCMUAAFMOMEQ-UHFFFAOYSA-N 463.991 2.288 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1CCCCN1CCC[C@H]1CO 1749073002 BVNCUEFZJRHHTP-YADARESESA-N 470.643 2.499 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C)n1C[C@@]1(O)CCS(=O)(=O)C1 1749073720 WYUDELYFVLVEFM-PKTZIBPZSA-N 458.584 2.016 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1CC1CCN(CCN(C)C)CC1 1749080848 VOWPZIVLJBCNLH-WRALFONMSA-N 458.651 2.268 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1749118480 GQAANSJHGZLISU-YRXWBPOGSA-N 496.678 2.001 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1CCS(=O)(=O)C1 1749600310 VNUCCFSPUWCGIZ-RBUKOAKNSA-N 497.662 2.466 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCN(c2ccc(F)cn2)CC1 1749730779 QHPMQGKZRDDNCG-UHFFFAOYSA-N 471.562 2.110 30 10 JEEE N#C[C@@]1(F)CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2ccc(OCC(F)(F)F)nc2)C1 1750379840 IAIODBQHKQYMBI-KUHUBIRLSA-N 467.427 2.250 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(NC(=O)OC(C)(C)C)COC1 1760100213 SIDKDBUZKKMTBY-SBUREZEXSA-N 463.579 2.070 30 10 JEEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C2CCOCC2)CC1 1760155162 RLFOXJHVDZPJBT-OAQYLSRUSA-N 488.633 2.301 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccc(Cl)cc1F)[C@H]1CCS(=O)(=O)C1 1760189094 NJJXMLBPPNCNLZ-KRWDZBQOSA-N 462.938 2.146 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC(C)(C)N1CCC(OC)CC1)[C@@H]1CCS(=O)(=O)C1 1760189176 SAJINJQQDPRLPF-CTNGQTDRSA-N 493.674 2.036 30 10 JEEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1Cc1c(C)nn(C)c1C)[C@H]1CCS(=O)(=O)C1 1760192845 YGGUYRXAVNTDIX-NRFANRHFSA-N 496.637 2.499 30 10 JEEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1760229107 DKYKPHWGVRFPTR-OAHLLOKOSA-N 451.980 2.348 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(OC)nc1 1760235343 KKBQPFMAYPILIN-SFHVURJKSA-N 456.547 2.498 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2CCCC(=O)N(C)C)CC1 1760256846 VPDZKXIWWHGHRL-UHFFFAOYSA-N 489.418 2.340 30 10 JEEE C#CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1760281043 WSKDXNFHKITJBG-LJQANCHMSA-N 493.637 2.346 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N1CCC(C(=O)NCCOC)CC1 1760323159 BESXCHKXXRIEEU-FYYLOGMGSA-N 468.602 2.224 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(=O)Nc2ccccc2)CC1 1760346405 XQHVCTWOCCPFCU-FQEVSTJZSA-N 488.614 2.042 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 1760519528 HKHHFAFGGAGQBH-HXUWFJFHSA-N 486.642 2.387 30 10 JEEE COCCN(C)S(=O)(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCC2CC2)C1 1771085599 DXYAYBDMQLTYCZ-NRFANRHFSA-N 472.615 2.494 30 10 JEEE N#Cc1ccc(OCc2nnc(N3CCC[C@H]3[C@H]3CCCO3)n2CC(=O)NCC(F)F)cc1 1771534586 HGUIYRMDRCRZEN-ZWKOTPCHSA-N 460.485 2.258 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1ccccc1)N1CCCC1 1772564415 XJOLTMZXZQVHPK-SFTDATJTSA-N 474.631 2.070 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)[C@@H](C)N3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)cc21 1858630761 BKEHLEYKDAAHHE-QGZVFWFLSA-N 487.553 2.315 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@@H]2c2ccc(N(C)C)cc2)cc1OC 1862572312 CAFFGJGEKBKVDY-JOCHJYFZSA-N 467.522 2.484 30 10 JEEE CC[C@@H](NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 1866875519 BWOCWEIUWJMLFC-RTBURBONSA-N 489.623 2.206 30 10 JEEE COc1ccc(-n2nnc(C#N)c2NC(=O)[C@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2)cc1 1870148923 DRTMIVQKELZWCB-KRWDZBQOSA-N 490.520 2.194 30 10 JEEE CC#CC(=O)N1CCC[C@@H]1[C@@H]1NC(c2ccc(C(=O)Nc3ccccn3)cc2)=C2C(N)=NC=CN21 2037521522 VAHLQHLGPMWFFV-KBMIEXCESA-N 467.533 2.090 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O 2060127238 GPNPTTSCJLEKFT-BBWFWOEESA-N 454.568 2.308 30 10 JEEE CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2060623195 JOHCNDLVPLUQSX-AWEZNQCLSA-N 452.386 2.361 30 10 JEEE CN1C[C@H](C(=O)N2CCC(=CB3OC(C)(C)C(C)(C)O3)CC2)N(C(=O)OC(C)(C)C)CC1=O 2180980834 NBAAWPJRDRKNFG-QGZVFWFLSA-N 463.384 2.244 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](NC(=O)c2cc(Cl)ccc2B2OC(C)(C)C(C)(C)O2)C1 2267010170 RKGKTHIACQYONJ-IRXDYDNUSA-N 466.771 2.349 30 10 JEEE CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)[C@H]1C[C@H]1B1OC(C)(C)C(C)(C)O1 2267098146 WMPNNOPVHKENDY-XHSDSOJGSA-N 452.357 2.480 30 10 JEEE CCN(CCN(C)S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)OC(C)(C)C 2267353430 DJOQVZVPZYBTEL-UHFFFAOYSA-N 469.413 2.258 30 10 JEEE CN(CCCN(C)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2267463430 AEUICWSKARVHQX-UHFFFAOYSA-N 489.469 2.461 30 10 JEEE Cc1cc(C(=O)NC[C@]2(NC(=O)OC(C)(C)C)CCOC2)oc1B1OC(C)(C)C(C)(C)O1 2267518045 CMAOHORYVHZDHF-JOCHJYFZSA-N 450.341 2.301 30 10 JEEE COc1ccc(NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)O)c(B2OC(C)(C)C(C)(C)O2)c1 2268640919 ZVUOEXWJRYHDDK-CXAGYDPISA-N 450.341 2.207 30 10 JEEE CC(C)(C)OC(=O)NC1(C(=O)NCc2ccc(B3OC(C)(C)C(C)(C)O3)s2)CC(CO)C1 2268699037 DMVRDTSUVOMGOH-UHFFFAOYSA-N 466.409 2.329 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1COCCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1F 2281771504 YDQUPDGJJNQCEO-MRXNPFEDSA-N 464.343 2.491 30 10 JEEE CON(C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1)C1CCN(C(=O)OC(C)(C)C)CC1 2281963598 NGAZQMMEDFVYDY-UHFFFAOYSA-N 464.372 2.122 30 10 JEEE Cc1nn(C)c(C(=O)N2C[C@H]3CC[C@H]2[C@H]3NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2281976540 CTQSWGCPSBLBNH-VYDXJSESSA-N 460.384 2.155 30 10 JEEE Cn1cc(C(=O)N2CC[C@H]3CN(Cc4ccccc4)C[C@@H]3C2)nc1B1OC(C)(C)C(C)(C)O1 2282044875 XEMYVTCMAJNFAW-VQTJNVASSA-N 450.392 2.313 30 10 JEEE C[C@H]1C[C@@H](NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CCN(C(=O)OC(C)(C)C)C1 2282044957 SUSDNVGXLVDEPH-HOTGVXAUSA-N 462.400 2.485 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CC[C@H](NC(=O)C(F)(F)F)C[C@H]1C 2282110007 LVGWYYVSNAHYTA-HIFRSBDPSA-N 457.302 2.479 30 10 JEEE CC(C)(C)OC(=O)N=S1(=O)CC2(CN(C(=O)c3ncccc3B3OC(C)(C)C(C)(C)O3)C2)C1 2282177388 GHTGBATXWBDERC-UHFFFAOYSA-N 477.392 2.240 30 10 JEEE CCn1cc(C(=O)N(C)C2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)nc1B1OC(C)(C)C(C)(C)O1 2282546421 ZSZMDRYJCDPWMM-GJZGRUSLSA-N 460.384 2.140 30 10 JEEE CC(C)(C)OC(=O)N[C@](C)(CO)CNC(=O)c1c(F)cc(B2OC(C)(C)C(C)(C)O2)cc1F 2282571900 GCRWQQKPUUBUCH-QFIPXVFZSA-N 470.322 2.270 30 10 JEEE CC(C)(C)OC(=O)N1CC2(COC[C@@H](CNC(=O)C3CC(B4OC(C)(C)C(C)(C)O4)C3)O2)C1 2282658981 DVWCHBGCUUDVCX-OFLPRAFFSA-N 466.384 2.380 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CN(C(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CCO1 2282667257 PMVUZQNOFCJJNT-YJBOKZPZSA-N 461.368 2.135 30 10 JEEE CC(C)(C)OC(=O)N1CCN(CCNC(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)CC1 2282667747 UWJILBKRHLOHAE-UHFFFAOYSA-N 459.396 2.268 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C1)[C@@H]2NS(=O)(=O)c1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2282834380 SZWPXSVTKJFLFH-JLVBRIDZSA-N 482.383 2.269 30 10 JEEE CC(C)(C)OC(=O)N[C@@]12CC[C@@H](CN(C(=O)c3nccnc3B3OC(C)(C)C(C)(C)O3)C1)C2 2283069753 SUCKBFBNVNPXSS-IQMFZBJNSA-N 458.368 2.295 30 10 JEEE Cc1ncc(S(=O)(=O)NC2CN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)C2)cc1C#N 2287635308 OWWJSCVGIJFCRG-UHFFFAOYSA-N 495.602 2.396 30 10 JEEE COc1ccc(C(O)=C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccccc2)cc1OC 2296136117 QMAJNQRCCQSWPM-JOCHJYFZSA-N 452.507 2.458 30 10 JEEE CN(C(=O)c1csnc1B1OC(C)(C)C(C)(C)O1)[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1F 2320556385 UQELXEOKAQPMHL-KGLIPLIRSA-N 455.361 2.472 30 10 JEEE COc1cc(NC(=O)c2cccc(/N=C3\N[C@H]4CS(=O)(=O)C[C@H]4S3)c2)cc(OC)c1OC 9860326 UKIXELQKAJFERU-MAUKXSAKSA-N 477.564 2.454 30 10 JEEE CCCCN/C(O)=N/S(=O)(=O)c1ccc(NC(=O)CNC(=O)c2ccc(OCC)cc2)cc1 33480052 BNVCCBBGCOUTPP-UHFFFAOYSA-N 476.555 2.446 30 10 JEEE COc1cc(/C=N/Nc2nc(SCC(=O)Nc3ccc4c(c3)OCCO4)n[nH]2)ccc1O 58995017 XDLZTXFWUUNVCE-UFFVCSGVSA-N 456.484 2.467 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)Cn3cnc4scc(C(=O)OCC)c4c3=O)cc21 71526312 WMIGXLALXAMXCA-UHFFFAOYSA-N 453.476 2.429 30 10 JEEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1ccc(S(=O)(=O)C[C@H]2CCCO2)cc1 520190709 HOCCAKOWGGORJR-JOCHJYFZSA-N 498.605 2.040 30 10 JEEE C=CCO[C@H]1O[C@@H](CO)[C@@H](O)[C@H](OCc2ccc(OC)cc2)[C@@H]1OCc1ccc(OC)cc1 575449037 IQUHAHWLUCWASF-YCXOGWGTSA-N 460.523 2.455 30 10 JEEE C#CCN(CC(=O)O)C(=O)[C@@H](CCNC(=O)OCC1c2ccccc2-c2ccccc21)OC 757403677 PFHNRPCVXRQKBU-JOCHJYFZSA-N 450.491 2.477 30 10 JEEE C=CCn1c(S)nc2cc(C(=O)N3CCC[C@@](O)(Cc4nc(CC)no4)C3)ccc2c1=O 856701588 VNJGMQDGDRULEB-JOCHJYFZSA-N 455.540 2.026 30 10 JEEE COc1ccc(NC(=O)CSc2nnc(NN=Cc3ccccc3OC)n2N)c(OC)c1 1084156069 AIUBGBALMWQTLQ-UHFFFAOYSA-N 457.516 2.195 30 10 JEEE COc1cccc(C=NNc2nc(SCC(=O)NCc3ccc4c(c3)OCO4)n[nH]2)c1O 1084232390 DMHKDLNUSGSXMN-UHFFFAOYSA-N 456.484 2.102 30 10 JEEE Cc1c(C#N)nn(-c2cccnc2)c1NC(=O)c1ccc2c(c1)S(=O)(=O)N(C(C)C)C2=O 1129263384 AOCYWZTUIRXIIP-UHFFFAOYSA-N 450.480 2.253 30 10 JEEE N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCC3(CCN(Cc4ccccc4)CC3)C2)c1 1161396555 FQXCVNKYYVGCAS-UHFFFAOYSA-N 452.580 2.351 30 10 JEEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1286339843 ZTBABXFPSVQROI-GOSISDBHSA-N 463.991 2.288 30 10 JEEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCCN(S(C)(=O)=O)CC1 1286360965 XEORSURPRNNPEX-SFHVURJKSA-N 480.635 2.235 30 10 JEEE C#CCN(c1nnc(-c2cccc(Br)c2)n1C[C@@H](C)OC)[C@H]1CCS(=O)(=O)C1 1286384431 QRFGLRYFQAXWTO-PBHICJAKSA-N 467.389 2.369 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1csc([C@@H](C)OC)n1)[C@H]1CCS(=O)(=O)C1 1286394473 OUUDTQQVHVZCII-APWZRJJASA-N 486.623 2.103 30 10 JEEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(=O)NCCc1ccccc1 1286442851 OYKRSOUBQDTZQZ-UHFFFAOYSA-N 479.610 2.057 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1c(F)cc(F)c(F)c1F 1286517975 XGKHMDNAMGXVRD-NSPYISDASA-N 459.469 2.485 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCCCC1 1286745957 LMUACRVRSUZAPG-QFIPXVFZSA-N 488.658 2.290 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(C[S@](C)=O)cc2)C1 1286811711 HDTWLGAQNTZBAB-CGKQSPDFSA-N 457.600 2.109 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCn2nc(C)nc2C1 1286818366 WJJJMAZQYRKCJP-OAHLLOKOSA-N 475.550 2.078 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCN(c2cccs2)CC1 1286823353 VBOXDSNDCAGKFM-UHFFFAOYSA-N 458.613 2.253 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCC(CC#N)CC2)n1CCN1CCN(C)C(C)(C)C1 1292052667 CMADGMKKCCUCLI-UHFFFAOYSA-N 458.655 2.353 30 10 JEEE CCNC(=O)C(C)(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)C[C@@H](C)C#N 1296238943 GFCYVBSKOZHWPI-INIZCTEOSA-N 464.574 2.433 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCCNC(C)=O)[C@@H]1CCS(=O)(=O)C1 1300482782 HBEPWNKHPTZUPY-QFBILLFUSA-N 494.017 2.224 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@]1(OC)CCOC1)[C@@H]1CCS(=O)(=O)C1 1300490063 YRLNIPRVRBBAAQ-VGSWGCGISA-N 495.001 2.039 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CC1CC(C)(C)C1)[C@@H]1CCS(=O)(=O)C1 1300505988 LHKTYTHKEDTJSV-OTWHNJEPSA-N 450.605 2.065 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2C[C@@H]2C[C@H](F)CN2Cc2nccn2C)CC1 1300724653 AXBOSWQLVVYMDQ-SFTDATJTSA-N 498.651 2.179 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2CCCN2CCCCC2=O)CC1 1300727016 UIPVRKDSHWMHES-UHFFFAOYSA-N 492.624 2.246 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCS(C)(=O)=O 1300805375 BDSXXPMTCVRRQF-HTAPYJJXSA-N 481.619 2.013 30 10 JEEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCOC[C@@H](C2CCC2)C1 1300830604 HIGVSRZGUFVSEL-ZFWWWQNUSA-N 462.414 2.050 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2cc(C)no2)CC1 1300875749 QEHABFULOOUVQR-QUCCMNQESA-N 457.579 2.016 30 10 JEEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2cc(OC)cc(OC)c2)CC1 1301043955 FSIUEOSUWUEKSN-SFHVURJKSA-N 496.033 2.272 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1301402279 DYWMRXBKVBJMQN-YLJYHZDGSA-N 459.572 2.251 30 10 JEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N(C)[C@H](C)c1ccc([S@](C)=O)cc1 1301509251 DMIWVZSUVDIEHE-GDTDKIKOSA-N 469.615 2.377 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CC(C)(C)OC(C)(C)C1 1301586513 ULAUWLRQYMMRTB-UHFFFAOYSA-N 465.576 2.000 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1OCC(F)(F)F 1301951604 BSFQVIFOJOAXLS-ZIAGYGMSSA-N 474.509 2.474 30 10 JEEE CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)CN(C)C(=O)OC(C)(C)C)CCO1 1315006530 FJJNEWUICBDVIV-FXAWDEMLSA-N 497.600 2.271 30 10 JEEE C[C@H]1CN(CCN(C)c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)N2CCOCC2)C[C@@H](C)O1 1316502745 CKMNVFRKONUXAG-OYRHEFFESA-N 481.645 2.473 30 10 JEEE N#Cc1ccc(-c2nnc(N3CCC(C(N)=O)CC3)n2C[C@H]2CCN(CC(F)(F)F)C2)cc1 1316529558 FUFOOVYEKGYOLE-INIZCTEOSA-N 461.492 2.403 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3csc(C)n3)n2CC[S@](=O)CC)c1 1358903510 ZMAZDQKDGFJGPN-JGCGQSQUSA-N 470.624 2.459 30 10 JEEE C#CCCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1358906823 ULQOYVGHWDVNCT-KRWDZBQOSA-N 462.572 2.398 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CC1C[C@H](C)O[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1358965068 NGWHLQGRXKVWDL-BBTUJRGHSA-N 457.600 2.094 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](CC)OC)[C@H]1CCS(=O)(=O)C1 1358967271 HELXVRBLZSGJLK-INDMIFKZSA-N 452.621 2.248 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CC2CCN(CCC)CC2)CC1 1359046207 IJODZONYWWGASB-UHFFFAOYSA-N 463.630 2.352 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2CC(=O)NCc2ccco2)CC1 1359046628 ZNKWUWNLLIBPKZ-UHFFFAOYSA-N 474.565 2.053 30 10 JEEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)c2ccccc2OCC)CC1 1359055009 PSRAYLSVPKRSCL-UHFFFAOYSA-N 479.610 2.406 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(S(C)(=O)=O)CC1 1359103012 IQXPLRYJBXPUMA-NQIIRXRSSA-N 462.620 2.134 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C(=O)N(C)c2ccccc2)C1 1359150604 BWVVYAUYWMNPRP-DLBZAZTESA-N 463.991 2.422 30 10 JEEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1359293647 WEIGOQANTBEUCE-RBBKRZOGSA-N 452.603 2.281 30 10 JEEE C=CCC[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1)C(=O)OCC 1449692870 IDDVTQHNJRECAJ-CRAIPNDOSA-N 453.517 2.010 30 10 JEEE Cc1ccc(NC(=O)Nc2cccc3c2CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)C3)cc1 1474932072 BQNIBFWCLFBXCK-IBGZPJMESA-N 455.540 2.466 30 10 JEEE C[C@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C#N)cc2)n1CCN(C)C(=O)OC(C)(C)C 1493168521 FGKLXXUSYULVEF-INIZCTEOSA-N 453.547 2.351 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@H](C)N1CCC[C@H](C)C1 1493686995 AQZDPNOQYWJCBF-VQTJNVASSA-N 479.633 2.130 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CC3)n2CC2(N(C)C)CCOCC2)c1 1507552567 QEEVVQWBEZOZTO-UHFFFAOYSA-N 450.587 2.398 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1Cc1nc(C)cs1)[C@@H]1CCS(=O)(=O)C1 1507630169 ZQFUNXAZDUXUSL-QGZVFWFLSA-N 487.607 2.402 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H](OC)c1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 1507631033 AZRAYEXBBGLXHB-YZGWKJHDSA-N 479.002 2.450 30 10 JEEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1CCCCC=C)[C@@H]1CCS(=O)(=O)C1 1507633122 BIYKBGGOUJWZEK-HXUWFJFHSA-N 452.584 2.500 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCN(CC(F)(F)F)C1 1507648579 PRSRMLRFKJKJMY-KRWDZBQOSA-N 483.498 2.149 30 10 JEEE C#CCN(CC#CC)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@@]1(O)CCS(=O)(=O)C1 1507677394 ZEXPKTAVLNSXDL-NRFANRHFSA-N 497.404 2.176 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1C[C@H]1NC(=O)CC1(C)C 1507704286 WIVCXCXGRFGROH-MRXNPFEDSA-N 463.380 2.047 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)CC2CCCCC2)CC1 1507752376 ZQVIUTMFBKPLSS-HXUWFJFHSA-N 493.699 2.166 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)ccc2Br)n1CCS(=O)(=O)NC 1507763797 FFKNSVCPDGYFRL-LJQANCHMSA-N 482.404 2.258 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(CCOC)C(=O)C1 1507804028 JJSQMCJEAJEEMS-HXOBKFHXSA-N 475.540 2.423 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1507808337 QQDWIVBEXKNESC-HLIPFELVSA-N 470.540 2.455 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](Cc2ccccc2)C1 1507844743 ONTPNIGUQKKXLK-LEWJYISDSA-N 460.600 2.221 30 10 JEEE C=C(Cl)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1507850040 AHRTYIFKESYQPD-UHFFFAOYSA-N 479.006 2.086 30 10 JEEE C=C(Cn1c([C@@H](C)CC)nnc1N1CCN(C(=O)CN2CCOCC2)CC1)c1ccccc1 1507853541 FJGPNQHJDMJTDJ-FQEVSTJZSA-N 452.603 2.486 30 10 JEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1ccc(F)cc1)N(C)C)C1CC1 1507992846 JUJNYYNPYMRETC-NHCUHLMSSA-N 492.621 2.208 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc(CN2CCCC2=O)n1C[C@H](C)N1CCOCC1 1508006899 XNSUQUUWVSUHKF-IBGZPJMESA-N 456.566 2.453 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@]2(CCOC2)C1)C(C)C 1508014707 WOIDVKIBBBBYFP-XUZZJYLKSA-N 455.607 2.373 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(N(C)C)CCC[C@@H](C)C1 1508020578 PLWHGISJMYFURW-QTEQDKRBSA-N 480.679 2.300 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)c1ccccc1Cl 1508022065 WAPGIEUPCWNBIT-KNQAVFIVSA-N 496.033 2.351 30 10 JEEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCn1cc(Cl)cn1 1508042104 ZADVQCLJLNMAOD-UHFFFAOYSA-N 468.949 2.381 30 10 JEEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(C(N)=O)CCOCC2)C[C@@H](C(F)(F)F)O1 1512418762 GNXBBHSBOPZZES-PBHICJAKSA-N 478.475 2.255 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCCO3)n2C[C@]2(O)CCO[C@H]2C)c1 1539042165 COMCDBWQTNGALX-GERBCZOESA-N 453.543 2.116 30 10 JEEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1539053014 XVEIJPUEZHHGMT-HXUWFJFHSA-N 499.597 2.268 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1539203777 VCHOAIVTMKYYMN-QFIPXVFZSA-N 498.653 2.260 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CC[S@](=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1539211748 KQXPVTQUJMFAHD-JTBPQFFMSA-N 484.047 2.167 30 10 JEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1CCCC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1539219517 KXHUHGRVWDAHEY-IBGZPJMESA-N 478.018 2.017 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(C(C)(C)O)cc1)[C@H]1CCS(=O)(=O)C1 1539230144 KREXNESYESIBHW-QFIPXVFZSA-N 496.637 2.042 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CCc1scnc1C)[C@H]1CCS(=O)(=O)C1 1539230684 OVKCHSNWQOQGOZ-IBGZPJMESA-N 496.618 2.363 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(Br)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1539242672 ZTNPTXIPLKIWSX-XUTLUUPISA-N 479.338 2.307 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(N2CCOCC2)CCSC1 1539305637 JQBLXYDQWCTZFQ-RUZDIDTESA-N 460.607 2.488 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CC[C@@H]2CCO[C@H](C)C2)CC1 1539484650 XTHFDPVUUYYTTR-WOJBJXKFSA-N 450.587 2.435 30 10 JEEE C=C(Br)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(OCCOC)CC1 1539587224 YYZAUVUQWSEQQY-UHFFFAOYSA-N 489.378 2.461 30 10 JEEE C=C(Br)Cn1c(-c2cnccn2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1539592528 FWXOTXQAHWRUTO-KRWDZBQOSA-N 461.412 2.248 30 10 JEEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1539706703 PWHFSCOBECIVKA-SFHVURJKSA-N 498.650 2.023 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCN(C(=O)OCC)CC1 1540866265 IIQQDBJOKMTUMI-UHFFFAOYSA-N 486.573 2.322 30 10 JEEE C=CCOc1ccc(Cn2c([C@H]3CCCOC3)nnc2N2CCN(C(=O)COC)CC2)cc1 1540877608 AEPWABAHKXOKTI-FQEVSTJZSA-N 455.559 2.080 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(C)n3)n2CCc2ccc(S(N)(=O)=O)cc2)C1 1540889627 QGZFOPVNFSTCOV-LJQANCHMSA-N 468.583 2.320 30 10 JEEE C#CCNC(=O)CN1CCCN(C(=O)[C@H](c2cccc(C(F)(F)F)c2)N(CC)CC)CC1 1542895086 ZHIIWFPDAYRSMF-NRFANRHFSA-N 452.521 2.372 30 10 JEEE CCCN(CC)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1547117411 DMAWQACOZNSQFL-UHFFFAOYSA-N 461.574 2.135 30 10 JEEE COCCNC(=O)[C@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CCN1C(=O)COc1ccccc1 1548372684 ULTCMBJAXLCPLQ-OAQYLSRUSA-N 490.482 2.436 30 10 JEEE COCC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1555216294 BTGYNPWYFGWIMZ-UHFFFAOYSA-N 467.574 2.064 30 10 JEEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NCC(=O)N(C)OC)ccc1Cl 1557074918 TZRFPPUNBZBJAK-UHFFFAOYSA-N 451.932 2.471 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCC(=O)NCc1ccccc1 1587615459 VJUQPNXZLMSEFI-SFHVURJKSA-N 479.610 2.403 30 10 JEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2cccs2)CC1 1587706621 RPLCHNZXGYIVQZ-QGZVFWFLSA-N 450.634 2.076 30 10 JEEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1587861453 MBLVCNBNMHDXGL-KURKYZTESA-N 483.635 2.258 30 10 JEEE C#CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H](CC)OC)[C@H]1CCS(=O)(=O)C1 1588073960 GKLLPZBNEFVPIE-RDGPPVDQSA-N 495.646 2.101 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1ccc(OC)nc1OC 1588219355 RBLSSBWBMYEXCW-UHFFFAOYSA-N 483.532 2.115 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H]2CCN(CC)C2)CC1 1588946365 DCVKGISWYKVRDT-SFHVURJKSA-N 470.568 2.455 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2CCn2ccnc2C)CC1 1588961740 KLNHQJIYEBYIDC-UHFFFAOYSA-N 465.533 2.167 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1595522494 DUUOPIZEMZAOOR-GOSISDBHSA-N 462.558 2.151 30 10 JEEE C=CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(C)C(=O)[C@H]1C 1595838127 LRRIRALHPSJSDQ-OAHLLOKOSA-N 463.007 2.448 30 10 JEEE CCNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1615905080 FVQPHLKQTVVSHE-QGZVFWFLSA-N 491.518 2.484 30 10 JEEE CCNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)OC(C)(C)C)CC1 1615956154 CGXWFVHOBSVBNX-UHFFFAOYSA-N 468.562 2.193 30 10 JEEE C#CCNC(=O)C1CCN(C(=O)[C@H](CCSC)NC(=O)c2ccc3ccccc3n2)CC1 1633884590 LFRFLWJZMZHOIF-NRFANRHFSA-N 452.580 2.074 30 10 JEEE CCOC(=O)C1([S@](C)=O)CCN(C(=O)COc2ccc(C#N)c(Br)c2)CC1 1636888574 HMMPXHKRLHIVKR-MHZLTWQESA-N 457.346 2.002 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC 1666519377 CHQJREFCJHDAGQ-JXFKEZNVSA-N 453.561 2.209 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1689838363 YKEYPZINKSLJJC-DZFGPLHGSA-N 452.584 2.479 30 10 JEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2ccccc2C)CC1 1689877371 XJLAKJXKMFBUGC-FQEVSTJZSA-N 458.632 2.322 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCCc1nnc(C)s1)[C@H]1CCS(=O)(=O)C1 1689983873 IFXIXCWVPOZGDT-IBGZPJMESA-N 481.607 2.236 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1cnn(CC)c1 1690043692 KFBSGCJEJSIVIB-UHFFFAOYSA-N 454.538 2.403 30 10 JEEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1CCCN1C[C@H](C)O[C@H](C)C1 1690051021 JWIINIMGTBIWGI-SZPZYZBQSA-N 459.598 2.479 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2noc3c2COCC3)n1CCCNC(C)=O 1690089524 DETKITJJBDOISA-UHFFFAOYSA-N 452.490 2.311 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2nc(C(C)(C)C)cs2)CC1 1690144279 SFFRBQRXBMOCET-QGZVFWFLSA-N 483.642 2.192 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2CC2([S@](C)=O)CCC2)CC1 1690152834 ZWSKOLCCZWGVTM-UMSFTDKQSA-N 483.638 2.433 30 10 JEEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCC(N(C)C(C)=O)CC1 1690183247 QYMHGSIFCMSJMK-UHFFFAOYSA-N 460.629 2.083 30 10 JEEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 1690462427 GQNBUIDUSFROHX-HKBOAZHASA-N 471.650 2.402 30 10 JEEE C=CCN(CC=C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCN/C(O)=C1\N=CC=CC1=O 1690588146 KTHZESVSEMINQH-XTQSDGFTSA-N 462.510 2.421 30 10 JEEE C=CCn1c(CCc2ccccc2)nnc1N1C[C@@H]2[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1690646760 KADORTBVNDIEAL-HSALFYBXSA-N 487.626 2.376 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1690663866 HAWPHUYUKASRDY-HNNXBMFYSA-N 461.929 2.080 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(c2cc(C)nc(C(C)C)n2)CC1 1690674252 UOFICQSLPXMRMR-UHFFFAOYSA-N 475.601 2.115 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CN(CC(C)C)CCO2)C1 1690684973 SOYDQDKCIWLPGV-UXHICEINSA-N 469.590 2.064 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCS(=O)(=O)NC(C)C)C1 1690688113 ORDXLAGURNUKPI-HNNXBMFYSA-N 487.424 2.145 30 10 JEEE CN(CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1)CC(F)(F)F 1696812313 BAADEZKJHNKSEX-QGZVFWFLSA-N 470.521 2.324 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2nnc(CC)s2)CC1 1705646225 BXDGHWBLGIIKRT-UHFFFAOYSA-N 480.554 2.281 30 10 JEEE C=C(Br)Cn1c(N2CCN(C3CC3)[C@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1705692906 XHECVMWUUBGECA-YLJYHZDGSA-N 465.396 2.404 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1705700313 RUDLZJZZRBJEMU-KGSLCBSSSA-N 474.650 2.190 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCc2ccccc2)nnc1N(C)CC(=O)N1CCOCC1 1705706516 WGZHGZVGXBZBHR-QPPBQGQZSA-N 453.587 2.340 30 10 JEEE C=CC1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2cccc(S(=O)(=O)NC)c2)CC1 1705785505 KSXFTBZQINCTHV-FPOVZHCZSA-N 475.615 2.361 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](N2CCCC2)C1 1705792533 VIIDALBGFOZIOP-WOJBJXKFSA-N 480.679 2.278 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@H](C)C1)C(C)C 1705869258 QBBOGHRLLVUVIL-WOZUAGRISA-N 465.664 2.492 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H]1c1ccc(OC)cc1OC 1705894410 XWHRSPYTENTCHZ-IBGZPJMESA-N 468.558 2.175 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCN(Cc2ccc3c(c2)OCCO3)CC1 1705897236 ITVGLTGRBZZWSG-SFHVURJKSA-N 454.575 2.187 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](CN2CCCC[C@@H]2C)C1 1705909148 OYUBYWPBXOFTOI-FKEBYFGASA-N 474.650 2.395 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H]3CCCCO3)nnc2N2CCN(C(=O)COC)CC2)cc1 1705911813 QTGHPRIRKUQRNW-NRFANRHFSA-N 455.559 2.428 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1C[C@@H]2OCO[C@@H]2C1 1705933918 VTYSWIPJRCZVEP-IYBDPMFKSA-N 459.355 2.414 30 10 JEEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)S[C@@H](C)C1 1705937703 BXIBQRSERFEZRP-GJZGRUSLSA-N 469.658 2.201 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCN(CC(F)(F)F)C1 1706069929 FKZANCQPWUEYLA-HOTGVXAUSA-N 474.495 2.401 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1722362719 VWDNUAGBOIYJEK-SVFBPWRDSA-N 487.674 2.062 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1C[C@H]1CC(=O)N(c2ccccc2)C1)[C@@H]1CCS(=O)(=O)C1 1722366008 GUUYAWNNCUFJSA-PZJWPPBQSA-N 469.611 2.156 30 10 JEEE C#CCN1CCN(c2nnc(CSc3ccc(C)cc3)n2CCCN2CCOCC2)CC1 1722440650 CSZZMSIQALBWNY-UHFFFAOYSA-N 454.644 2.356 30 10 JEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1c1ccc2c(c1)OCO2 1722450911 DNQULHJBHOJTBG-WBVHZDCISA-N 477.612 2.325 30 10 JEEE C=C(Br)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)CCN1CCOCC1 1722484095 FZWFHSMHUNMOMS-UHFFFAOYSA-N 464.364 2.393 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1722502021 HORNESNESKIZAP-IPJJNNNSSA-N 458.607 2.075 30 10 JEEE C=C(C)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 1722521497 SGCCZXLTEQQFOW-GOSISDBHSA-N 477.587 2.127 30 10 JEEE C=C(C)Cn1c(-c2cccnc2)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1722522671 JWDCQGWBQAQMFD-KURKYZTESA-N 474.587 2.043 30 10 JEEE C=CCC(C)(C)Cn1c(-c2noc3c2COCC3)nnc1N1CCC(NS(C)(=O)=O)CC1 1722591149 MKDHZAZHISTAFC-UHFFFAOYSA-N 464.592 2.126 30 10 JEEE C=CCS(=O)(=O)CCn1c(CSc2ccc(C)cc2)nnc1N1CC(=O)N(C)C[C@H]1C 1722732082 UTBLRPBKLTXMNW-QGZVFWFLSA-N 463.629 2.147 30 10 JEEE Cc1nn(C)c(N2CCN(c3nnc([C@@H]4CCCCO4)n3CC(C)(C)CN(C)C)CC2)c1C#N 1725867441 IEAPUNBECXPLCF-FQEVSTJZSA-N 469.638 2.348 30 10 JEEE C#CCN(c1nnc([C@@H](C)CC)n1CCC(=O)NCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1740617796 XOUHESFDOHYSJS-AZUAARDMSA-N 457.600 2.125 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1csc(-c2ccco2)n1 1740645514 HCVDWRCHFQHVEL-HNNXBMFYSA-N 458.569 2.116 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC2([S@](C)=O)CCC2)CC1 1740702128 WKELCUOEMISLSE-DHUJRADRSA-N 499.637 2.229 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)cn3C)n2CCC2(O)CCC2)CC1 1740703276 MJKNAOLGRGVDRF-UHFFFAOYSA-N 489.418 2.317 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1740751504 KZXDUZWENDUXPH-UXPWSPDFSA-N 473.622 2.218 30 10 JEEE C=CC[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C)[C@@H](O)C1)c1ccccc1 1740855814 OVQFXIJPLJHIOQ-PSWRPDDJSA-N 489.642 2.178 30 10 JEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(c2ccc(OC)cc2)CC1 1740887154 DIGALPIDHKXFAT-HXUWFJFHSA-N 489.642 2.498 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@@H]1CC 1740990437 UVGYPFDHRNYNEI-INIZCTEOSA-N 456.572 2.172 30 10 JEEE C=CCS(=O)(=O)CCn1c(CSc2ccc(C)cc2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1740994166 NMPQHIHQSQEYJE-KRWDZBQOSA-N 477.612 2.120 30 10 JEEE CC1CCN(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)Cc2cccc(C#N)c2)CC1 1743190680 AHLMAJFLUZQDPE-SFHVURJKSA-N 459.620 2.128 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1CCN(C(=O)OC)CC1 1748673060 YPRWJZLKVIDXFJ-SFHVURJKSA-N 466.590 2.388 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1CC(=C)Br)[C@H]1CCS(=O)(=O)C1 1748808471 CRRRKJHXKSTADU-INIZCTEOSA-N 495.399 2.498 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCN(CC)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1748814878 KOIQRLLQTCXMRS-OALUTQOASA-N 495.646 2.403 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1Cc1nccs1)[C@@H]1CCS(=O)(=O)C1 1748821351 PVSNAEWAWDPXRI-QGZVFWFLSA-N 457.581 2.297 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2Cc2cnn(CCOC)c2)CC1 1749017238 YCFJPRJFEASKDW-UHFFFAOYSA-N 475.597 2.034 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(CCSC2)C1 1749118625 HPWOFIKWFQSIPF-CLWJZODNSA-N 455.650 2.203 30 10 JEEE C=CCn1c(Cc2csc(C)n2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1749635182 VFJRJGDVDUGNTF-HDICACEKSA-N 457.648 2.446 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CCN(C)C(=O)OC(C)(C)C)c1 1760126941 MYIKIUIBXBFUOG-UHFFFAOYSA-N 497.600 2.339 30 10 JEEE C#CCN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC1(OCCOC)CCOCC1 1760170020 MLSFZRYUVXPONO-UHFFFAOYSA-N 450.543 2.412 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCCCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1760183724 QRHRPPZDEBNXEL-QFIPXVFZSA-N 477.594 2.429 30 10 JEEE C=C(Br)Cn1c(N2CCN(C[C@H]3CCCO3)CC2)nnc1[C@]1(OCC)CCOC1 1760313433 ALHCRIDAPILALD-XLIONFOSSA-N 470.412 2.140 30 10 JEEE C=C(C)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCCN(CC)C(=O)C1 1760347248 NPBAEGOPYPDOFA-UHFFFAOYSA-N 451.619 2.278 30 10 JEEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 1760373911 DWRXWSWTRZMINF-QAPCUYQASA-N 470.039 2.408 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2Cc2cnn(C)c2)C1 1760535420 QQCSOMSSILHSFI-LJQANCHMSA-N 455.950 2.425 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC1(SC)CC1 1762293172 DOZFWSTVGWVIEF-MRXNPFEDSA-N 483.646 2.469 30 10 JEEE COCCC1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCCN(S(C)(=O)=O)CC2)CC1 1770992365 CMLNDXREQGJSCP-UHFFFAOYSA-N 458.588 2.105 30 10 JEEE CN(C(=O)[C@@H]1CCCN1C(=O)C(F)(F)F)c1ccc(NS(=O)(=O)c2ccccc2C#N)cn1 1858272477 SKVUNFHAPXBKMW-HNNXBMFYSA-N 481.456 2.270 30 10 JEEE C=CCNC(=O)[C@H](Cc1ccc(OC(C)=O)cc1)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C 1861789150 QHMVAUQYWIMGME-IBGZPJMESA-N 470.438 2.380 30 10 JEEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1862685453 WXFCZCXXNVWDAB-HXUWFJFHSA-N 485.424 2.220 30 10 JEEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccc([N+](=O)[O-])cc1 1862737784 LXWWQUGBOGIROO-GOSISDBHSA-N 454.395 2.217 30 10 JEEE C=CCOc1cn(CCCN2CCOCC2)c(CN2CCN(Cc3ccccc3)CC2)cc1=O 1870385153 KNAYEIPVNIXHEE-UHFFFAOYSA-N 466.626 2.453 30 10 JEEE C=CCN(CC=C)C(=O)c1nonc1OCC(=O)Nc1nc(C)c(C(=O)OCC(C)C)s1 1872679138 ZYKIKWJYQDHBRJ-UHFFFAOYSA-N 463.516 2.479 30 10 JEEE CCN1CCN(CC#CCOC2CCN(C(=O)c3cc(-c4ccc(F)cc4)[nH]n3)CC2)CC1 1889689950 HVGWOPXYYWEQCM-UHFFFAOYSA-N 453.562 2.478 30 10 JEEE C[C@]12C[C@@H]([C@@H]3CC[C@H]4[C@@H]5[C@@H]6O[C@@H]6[C@@]6(O)CC=CC(=O)[C@]6(C)[C@H]5CC(=O)[C@@]43C)[C@@H](C1)OC(=O)[C@@]2(C)O 2043444407 XTQKMXGXXCXGMX-KWHKTDMGSA-N 484.589 2.364 30 10 JEEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)[C@@H]2C[C@H]21 2255752601 KOLXWDYMUIYZCC-HUUCEWRRSA-N 470.422 2.430 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1[C@H]2CC[C@H]1CN(C(=O)C(F)(F)F)C2 2267128527 YGVQEPYGADKXJW-RYUDHWBXSA-N 459.299 2.128 30 10 JEEE Cc1nn(C)c(C(=O)NC[C@H](C)CN(C)C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267523133 XTGKUILCZWWAIN-AWEZNQCLSA-N 450.389 2.261 30 10 JEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)[C@H](CO)C1 2281806136 HQYKBJMJXVEKTB-RDJZCZTQSA-N 464.368 2.235 30 10 JEEE Cc1sc(C(=O)N=c2nc(CNC(=O)OC(C)(C)C)[nH]n2C)cc1B1OC(C)(C)C(C)(C)O1 2281953841 PVMGXVVYYCCQMU-UHFFFAOYSA-N 477.396 2.183 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC=CCC12CN(C(=O)OC(C)(C)C)C2 2282037954 BUHMCCOOSCFUIV-UHFFFAOYSA-N 458.368 2.111 30 10 JEEE CC(C)(C)OC(=O)NC[C@@]12CN(C(=O)c3ccoc3B3OC(C)(C)C(C)(C)O3)C[C@H]1CCO2 2282200386 ORCBUNDHWRNMCU-IQMFZBJNSA-N 462.352 2.335 30 10 JEEE CC(C)(C)OC(=O)NC[C@@]12CN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)c[nH]3)C[C@@H]1CCO2 2282203236 BMGHJKZYUHFKJW-NPMXOYFQSA-N 461.368 2.070 30 10 JEEE C[C@@H]1C[C@@H](NC(=O)C(F)(F)F)CCN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2282343079 BVMKLLPPZMJWSD-HIFRSBDPSA-N 476.326 2.206 30 10 JEEE Cn1ncc(C(=O)N2CCC[C@@H](CCNC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2282569449 RMAJTRGLJVKLOU-INIZCTEOSA-N 462.400 2.486 30 10 JEEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H](NC(=O)c3ncc(B4OC(C)(C)C(C)(C)O4)cn3)[C@H]1CC2 2282613751 DCVRFNHQTGNZAX-GVDBMIGSSA-N 458.368 2.436 30 10 JEEE CC(C)(C)OC(=O)N1[C@H](CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)C[C@H]2OCC[C@@H]21 2282626830 JIIMBBKAQFADMT-YQQAZPJKSA-N 462.352 2.476 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C[C@H]1C(F)F 2283058437 DYLRWVBXWDPXSG-OLZOCXBDSA-N 468.310 2.006 30 10 JEEE C[C@@H]1CN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C[C@H]1CCNC(=O)OC(C)(C)C 2283065234 ZNZUMWQBQRCAKW-HZPDHXFCSA-N 460.384 2.399 30 10 JEEE CC(C)(C)OC(=O)N1CC(N2CCC[C@H]2C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C1 2287384848 UMOKWFNIJUBSQW-HNNXBMFYSA-N 478.424 2.465 30 10 JEEE CC(C)N1C[C@@H](c2nnc(SCC(=O)NCc3ccco3)n2N=Cc2cccn2C)CC1=O 2329021212 GWIBZGNAHGAAQB-INIZCTEOSA-N 469.571 2.225 30 10 JEEE CN(C(=O)OC(C)(C)C)[C@@H]1CN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CC1(C)C 2361512989 FWJCJVCVGNBSJO-MRXNPFEDSA-N 460.384 2.493 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(S(=O)(=O)N[C@H](C)COC)cc3)cc2C1=O 14937015 OFGREHHQXUOVCT-CQSZACIVSA-N 457.508 2.034 30 10 JEEE NS(=O)(=O)c1ccc(NC(=O)CCSc2n[nH]c(N/N=C/c3cccs3)n2)cc1 20834263 OGLUIXUIDPBXTM-VCHYOVAHSA-N 451.559 2.081 30 10 JEEE C=CCN1C(=O)N[C@H](c2ccccc2)C(C(=O)OCC)=C1CN1CCN(C(=O)NC(C)C)CC1 36017438 ANNPXBIRMFRXIC-JOCHJYFZSA-N 469.586 2.492 30 10 JEEE C=CCN(CC(F)(F)F)C(=O)CS(=O)(=O)CC(=O)Nc1cccc(Br)c1 519902634 XEYGATDRMOXHKC-UHFFFAOYSA-N 457.268 2.379 30 10 JEEE COc1ccc(C=NNc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2N)cc1OC 1084196015 JVHNTESDASUAJL-UHFFFAOYSA-N 472.487 2.094 30 10 JEEE Cc1cccc(NC(=O)CSc2nnc(NN=Cc3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2N)c1 1084512063 ATRUNXNQTDSXKV-UHFFFAOYSA-N 471.459 2.294 30 10 JEEE CCNC(=O)COc1cccc(CNC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)c1 1126715845 AGZJMJAVWFEDTM-QGZVFWFLSA-N 454.914 2.396 30 10 JEEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](c2cccc3ccccc23)C(F)(F)F)CC1 1216783293 WUKMWQPCSVWNBB-SFHVURJKSA-N 454.474 2.238 30 10 JEEE C#CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(S(C)(=O)=O)CC1 1286374559 NXYDTNINCOSJCR-INIZCTEOSA-N 451.593 2.039 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccccc1CN1CCC[C@H]1CO)[C@@H]1CCS(=O)(=O)C1 1286382989 BXYBAELFRILWDV-XZOQPEGZSA-N 499.681 2.207 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@@H]1CCC[C@H](O)C1)[C@H]1CCS(=O)(=O)C1 1286387063 NKNWSLOXFCLNEI-QYZOEREBSA-N 458.584 2.132 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CCN(C)CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1286393570 FIBANDFOFOJVAJ-SFHVURJKSA-N 499.559 2.286 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC[C@H]1CCO[C@H](C)C1 1286401965 UHWMJAZVQHGLMV-UXHICEINSA-N 469.611 2.473 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCNS(=O)(=O)c1ccc(C)s1 1286404707 XFXXMHQZJPUAES-UHFFFAOYSA-N 497.602 2.138 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@@H]2COCCO2)CC1 1286489398 RECZOPZGWSINNN-OAQYLSRUSA-N 497.596 2.122 30 10 JEEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1286505222 YDDFQFMKLKSAMG-UHFFFAOYSA-N 456.601 2.357 30 10 JEEE C=CCCOCCn1c([C@@H]2CCCCO2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1286709897 HYUOHTDFZGFCSN-PMVMPFDFSA-N 474.650 2.491 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1286779918 LJXCVUURIHTLIS-OALUTQOASA-N 499.591 2.442 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)CCN1CCOC(C)(C)C1 1286786394 DLXKSYXMCIGKBQ-UHFFFAOYSA-N 479.585 2.449 30 10 JEEE C=CCNC(=O)Cn1c(N2CCN(c3cc(F)ccc3F)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1286793889 PBBOZHJZDATFBF-XMMPIXPASA-N 490.555 2.226 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC[C@@H]2CCOC2)C1 1286803806 KCIODPNSTOQWQE-QUCCMNQESA-N 475.615 2.403 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)c1ccc(F)c(F)c1 1286820518 MQZADRMYZSYYOG-ZBFHGGJFSA-N 488.582 2.257 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCN1CCOC[C@@H]1C 1292114924 CZMAVWGAFQXLIE-FQEVSTJZSA-N 494.644 2.115 30 10 JEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](CC)[C@H]2CN(Cc3ccccc3)CCO2)cc1 1294531423 YMALSVNGYYXZRZ-XZOQPEGZSA-N 455.580 2.008 30 10 JEEE CCO[C@@]1(c2nnc(N(C)Cc3cccc(C#N)c3)n2CCC2(O)CCOCC2)CCOC1 1296538045 GAQZEFNSZDPUOV-DEOSSOPVSA-N 455.559 2.370 30 10 JEEE CCO[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(C(N)=O)CCOCC2)C1 1296991114 GDYGHUCWMOTNKL-FQEVSTJZSA-N 468.558 2.016 30 10 JEEE C#CCCCCn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1300344963 NBNKBBQQTLZRRJ-JOCHJYFZSA-N 450.587 2.500 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H](CCC)OC)[C@H]1CCS(=O)(=O)C1 1300489705 QWYDLKZWVKJDAH-ZWKOTPCHSA-N 460.556 2.116 30 10 JEEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCc1cccc(C(=O)N(C)C)c1 1300513550 XVNFLXLLHSFEQK-SANMLTNESA-N 463.582 2.336 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cc2ccccc2s1 1300538990 WJYKLPDPKBUTGZ-FQEVSTJZSA-N 483.619 2.141 30 10 JEEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1300769284 DIRLDIFVJXUGGV-GOSISDBHSA-N 485.639 2.046 30 10 JEEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1CCc2ccccc21 1300990877 NEQHHMGXQPWBKC-LEWJYISDSA-N 475.615 2.327 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1301491399 IJAKNAZIKKPMDY-UHFFFAOYSA-N 461.570 2.348 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1301509367 GOBHLDTZBPWFLG-UHFFFAOYSA-N 468.602 2.471 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](Oc2ncccc2F)C1 1301588794 JMNPFRVFANUDAF-MSOLQXFVSA-N 479.578 2.355 30 10 JEEE COCCN1C[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(CC(C)C)C(=O)[C@@H]2C)CC1=O 1301859989 GWZSXLQAWFIVHG-FPOVZHCZSA-N 493.612 2.005 30 10 JEEE CCN(C(=O)OC(C)(C)C)[C@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H](C)C#N 1313544820 HIIMUTRIHFCCEN-BRWVUGGUSA-N 468.624 2.422 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@H](C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1358954906 AHJQLRDENMBLHV-AZUAARDMSA-N 478.578 2.356 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Br)n1C[C@H](F)COC)[C@@H]1CCS(=O)(=O)C1 1358959901 RPYSJFYQDDKCTJ-LSDHHAIUSA-N 485.379 2.319 30 10 JEEE C#CCN(c1nnc(-c2cnn(-c3ccccc3)c2)n1CCCCOC)[C@@H]1CCS(=O)(=O)C1 1358961215 UJPAJQRSBKLZFH-OAQYLSRUSA-N 468.583 2.184 30 10 JEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1Cc1cccc(C(=O)NCC)c1 1358982473 YCJNFYXUQBZQRQ-UHFFFAOYSA-N 460.563 2.140 30 10 JEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1CCCCn1cc(Br)cn1 1358997403 RITUONIPUKHBLF-UHFFFAOYSA-N 472.391 2.303 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCCc3ccccc3)n2C[C@H]2CCCCS2(=O)=O)CC1 1359046664 AWKOJUUXUQUNTR-HSZRJFAPSA-N 497.665 2.387 30 10 JEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1359060112 KLJAEGPHBGQPDG-UHFFFAOYSA-N 467.574 2.104 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ncccc2F)CC1 1359089499 KERXJGUCYRRZCG-MJGOQNOKSA-N 457.554 2.258 30 10 JEEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C[C@H](c1cccs1)N1CCOCC1 1359117140 HQIKIJMMHHASIA-DLBZAZTESA-N 468.649 2.036 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2ccccc2F)C1 1359133151 MJIORWWLUAZCID-FXAWDEMLSA-N 464.563 2.490 30 10 JEEE C=CCCCCn1c(-c2ccccc2OC)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1359200409 DKZZUIXHDVJTCC-UHFFFAOYSA-N 452.559 2.237 30 10 JEEE C=CCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1359223495 MNACXBUXVMILBG-MBSDFSHPSA-N 476.599 2.326 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1359309295 NQXKWLTWZOZHHS-BJLQDIEVSA-N 475.615 2.364 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CC1CCC1 1359333162 PMLSAHXVPZBPTN-SFHVURJKSA-N 483.635 2.424 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1Cc1ccnc(OCC(F)(F)F)c1 1359476514 GJSZICVIYZPZGQ-AWEZNQCLSA-N 451.453 2.381 30 10 JEEE C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCN1CCN(C)C(C)(C)C1 1359479087 DTFGLGMXCPNBJB-OALUTQOASA-N 487.674 2.101 30 10 JEEE C#CCN1CCCN(C(=O)[C@@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc(C)cc2)CC1 1444338910 SLHWOFJZDXBFQO-DEOSSOPVSA-N 451.592 2.278 30 10 JEEE C#C[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1)C1CCOCC1 1470311207 BXTILTCKXLYQQA-HXUWFJFHSA-N 456.520 2.417 30 10 JEEE C#Cc1cccc(NC(=O)NC(=O)CN2C[C@H]3C[C@H](NC(=O)OC(C)(C)C)C[C@@]3(C(=O)OC)C2)c1 1473793496 JWIGQXFFYKJORP-VDABOFBKSA-N 484.553 2.094 30 10 JEEE CCOC(=O)N[C@H](CC(C)C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1502511910 FJTOQGGLNQHNIM-WOJBJXKFSA-N 480.573 2.191 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCCNS(=O)(=O)CC 1507531460 FKENOQLLJWPHAJ-QGZVFWFLSA-N 482.651 2.180 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2CC(C)(C)CC)c1 1507546149 DOBYJJHQYJWXDP-INIZCTEOSA-N 460.604 2.381 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@H]1CCCN(C(C)C)C1)[C@H]1CCS(=O)(=O)C1 1507630819 IJSHTTRTPVDQER-SFTDATJTSA-N 470.643 2.396 30 10 JEEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1CC1(O)CCCC1)[C@@H]1CCS(=O)(=O)C1 1507639174 JSBYRAQZIKSQPC-HXUWFJFHSA-N 472.611 2.406 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H](C)Oc2cccc(F)c2)CC1 1507718789 HWBOLOKPRYNCNN-NTKDMRAZSA-N 457.550 2.292 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCOC2CCCCCC2)CC1 1507734360 WGZBKUDYHLYTLK-UHFFFAOYSA-N 470.618 2.219 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2ccnc2C)CC1 1507734861 AKDCAXUZWXOESX-UHFFFAOYSA-N 456.554 2.378 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCSC(F)(F)F)CC1 1507735685 FGPOZEDKOGJFRH-LJQANCHMSA-N 475.537 2.149 30 10 JEEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1507747163 IBTXAMFCGXLOFR-XMMPIXPASA-N 498.609 2.143 30 10 JEEE C#CCSCCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1507754828 ZEIQVFRRVTXMKO-SFHVURJKSA-N 468.048 2.407 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](Cc2ccccc2)C1 1507804818 KUBQPOMNNXBJMR-NMIHRBCNSA-N 489.642 2.317 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2c[nH]c3ccccc23)nnc1N(C)CCNS(C)(=O)=O 1507810255 WQQDROUUIGCEIR-VGSWGCGISA-N 472.615 2.317 30 10 JEEE C=C(C)COCCn1c(N2CCN3CCOC[C@@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1507847967 FOUJOIGCACSPDQ-ZCNNSNEGSA-N 476.622 2.162 30 10 JEEE C=CC1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1507904140 KKVSUMQXQYYWIG-QGZVFWFLSA-N 450.634 2.318 30 10 JEEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2nc(C)cs2)CC1 1507926889 VSQFWVJOXJJPJJ-MRXNPFEDSA-N 453.638 2.336 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nc2cc(OC)ccc2n1C 1508018589 GOOLTSVUTYONJZ-INIZCTEOSA-N 456.572 2.302 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CCCN(CC)C(=O)C1 1508075748 ALTVHVJOLLEIEM-UHFFFAOYSA-N 461.364 2.068 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CC1(C)CC1 1513395149 HHWAEVPQPQVIJD-UHFFFAOYSA-N 453.595 2.237 30 10 JEEE COC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1)OC 1518719488 CSAYNYDCCKONKP-PZJWPPBQSA-N 454.575 2.467 30 10 JEEE N#Cc1cc(C(=O)Nc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)cnc1C(F)(F)F 1522390364 HBVHOSBSHIUHGX-UHFFFAOYSA-N 458.393 2.384 30 10 JEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1539072909 YQJGBMWSGKOFOM-SJORKVTESA-N 451.593 2.087 30 10 JEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 1539094434 PTPZDVKOMNFTNZ-INIZCTEOSA-N 476.559 2.258 30 10 JEEE C#CCCCn1c(N2CCC(CC(=O)N3CCN(CC)CC3)CC2)nnc1[C@@]1(OCC)CCOC1 1539141614 WIVRTYHNRLGJIB-AREMUKBSSA-N 486.661 2.114 30 10 JEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCn1cc(Br)cn1 1539179929 UIMHHXBAFZICNL-INIZCTEOSA-N 494.394 2.315 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@H]1CCCCS1)[C@@H]1CCS(=O)(=O)C1 1539201938 CXOVEAUGVHHBQB-QZTJIDSGSA-N 467.661 2.109 30 10 JEEE C#CCN(c1nnc(-c2cccc(Br)c2)n1CC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1539205480 IRUZMIGDPNCYDM-QGZVFWFLSA-N 479.400 2.249 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1CC1(OC)CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1539219173 BJERJBPMNAUUDP-DBAFAGGRSA-N 450.605 2.004 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCc1nnc(C)s1 1539246501 RUFYVNRLNRBTRC-UHFFFAOYSA-N 454.581 2.214 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCN(CC)C2CC2)CC1 1539427840 JCLDCXMWPNWJBW-UHFFFAOYSA-N 470.021 2.101 30 10 JEEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1539519408 GFJCDBFPMBVLRE-LJQANCHMSA-N 464.599 2.028 30 10 JEEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCCN(C(=O)c2ccccc2)CC1 1540019278 FUNUEKNXAXMOKN-UHFFFAOYSA-N 454.575 2.362 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1CCC1(O)CCOCC1 1540120034 AXIFAGDTJHAHPQ-HXUWFJFHSA-N 450.543 2.225 30 10 JEEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1540858387 URLMPPRGOYMEKL-ZWKOTPCHSA-N 462.595 2.466 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 1540868248 XTWUVQZPFIXCOQ-LJQANCHMSA-N 464.505 2.182 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1540905829 WNPSBPQXVMMVBU-NRFANRHFSA-N 479.990 2.154 30 10 JEEE C#CCN(C(=O)NCCNC(=O)c1ccc(OC)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 1563675414 QCGXNVYAJXKBMB-UHFFFAOYSA-N 458.559 2.469 30 10 JEEE N#Cc1ccc(N2CCC[C@H](NC(=O)N3CCN(Cc4nccn4C(F)F)CC3)C2=O)cc1 1564546902 BTDUYGVCMSUQGU-SFHVURJKSA-N 457.485 2.173 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1C[C@H]1CN(Cc2ccccc2)CCCO1 1587662499 NVCBXOCPGXGHGA-IFMALSPDSA-N 450.587 2.150 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H](COC)OC)[C@H]1CCS(=O)(=O)C1 1588040929 SCSTYUVYQIZFGY-HOTGVXAUSA-N 470.954 2.026 30 10 JEEE C#CCN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1Cc1nnnn1CC1CC1 1588385766 JUNIVJGAXROZQE-UHFFFAOYSA-N 469.594 2.297 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)NCCc1ccccc1 1588399476 PUZJPYBQRUBPTK-NRFANRHFSA-N 496.612 2.405 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCC(F)(F)C2)n1 1588724379 XTFOIQYWCANJJS-QZTJIDSGSA-N 496.584 2.098 30 10 JEEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2CCCOC[C@H]2CCCO2)CC1 1588836062 DGXOXJQAYRTCTO-LJQANCHMSA-N 459.541 2.488 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@H](C)N(C)C)CC1 1588962026 ROWPDCMVYMCYHY-FQEVSTJZSA-N 452.603 2.390 30 10 JEEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)c2ccccc2)CC1 1589109614 HIRHFXZRANLNJA-UHFFFAOYSA-N 463.611 2.469 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCO[C@H]1CCCC[C@H]1C 1589215622 CFTPSPIDMKEHDK-QTDGGUCWSA-N 479.647 2.198 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1589505152 LFZUUYDQIDHGIG-IOMROCGXSA-N 470.599 2.268 30 10 JEEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2ccccc2C)C1 1593696190 KUCYDZZSQDENSU-UYAOXDASSA-N 463.604 2.367 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(CCOC)[C@@H](C)C1 1595507206 ZQHIBNADAOGHMS-INIZCTEOSA-N 462.982 2.066 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CCNC(=O)C(C)C)C1 1595715426 WREQWGLAQSRSFJ-GOSISDBHSA-N 479.585 2.228 30 10 JEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2c(ccnc2N(C)C)C1 1595884638 PHCUCYPJNHQUEK-QGZVFWFLSA-N 462.645 2.123 30 10 JEEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)NC(CO)CO)ccc1Cl 1636579930 VZRXMQWBPFWPFG-UHFFFAOYSA-N 459.351 2.458 30 10 JEEE Cc1cc(F)cc(C#N)c1S(=O)(=O)NCC(=O)N1CCN(c2cccc(Cl)c2)CC1 1661996014 GJTREZAWVBMDHB-UHFFFAOYSA-N 450.923 2.286 30 10 JEEE C#C[C@@H](NC(=O)N1CCN(c2nc(N)nc(C3CC3)n2)CC1)c1ccc(Br)cc1 1682357289 WMKKUOLBWWNDDZ-MRXNPFEDSA-N 456.348 2.300 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)c1ccc(OC)cc1 1689852558 HGCDIOHAGUNOQP-YLJYHZDGSA-N 475.615 2.055 30 10 JEEE C#CCN(c1nnc(CC)n1Cc1cccc(OCC(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 1689992375 KCVKBOCFGKUHOQ-MRXNPFEDSA-N 456.490 2.457 30 10 JEEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OC2CCCC2)cc1 1689999449 BBVSTCBRUPZABQ-SFHVURJKSA-N 455.584 2.331 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC1([S@](C)=O)CC1 1690043740 MFIUPUFFSSWITF-UMSFTDKQSA-N 476.606 2.439 30 10 JEEE C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1Cc1cccc(C(=O)N(C)C)c1 1690105198 WYGCPTRYXCMASB-UHFFFAOYSA-N 452.584 2.470 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)ccc3C)n2CC2(C(N)=O)CCCC2)CC1 1690152365 ITRDESVVJRHGGH-UHFFFAOYSA-N 492.624 2.485 30 10 JEEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)N1CCN(CC)CC1 1690527927 UTASNXWVSPNODR-WOJBJXKFSA-N 477.654 2.235 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1690724649 TWQXTCMBJRIMCU-IBGZPJMESA-N 494.706 2.037 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1690729123 HERURDVTQBSSCY-BSRJHKFKSA-N 494.589 2.370 30 10 JEEE C=CCSCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCNC(=O)C1 1690743722 FEHUNMDASVLKIF-UHFFFAOYSA-N 450.609 2.248 30 10 JEEE Cc1nc(N2CCOCC2)sc1-c1nnc(N2CCO[C@@H](C#N)C2)n1CCC(C)(F)F 1692911699 CQIFIPCLXKVFFU-AWEZNQCLSA-N 453.519 2.321 30 10 JEEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1696902632 HLZSXFYNJSEYOU-RTBURBONSA-N 488.596 2.303 30 10 JEEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1705510383 YPWGOLPKUKAFIJ-IRXDYDNUSA-N 466.629 2.410 30 10 JEEE C#CCCCn1c([C@H]2CCCOC2)nnc1N1CCC(CC(=O)N2CCN(CC)CC2)CC1 1705533522 YGOZYBQGCWEUJW-QFIPXVFZSA-N 456.635 2.356 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@H]1CCCN1CCCO 1705581137 XXXAFMKHSUBJGE-NRFANRHFSA-N 487.608 2.156 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ccc(C#N)o1 1705591731 WAGZEGKVQBUSHF-UHFFFAOYSA-N 462.535 2.171 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2CC2(COC)CCOCC2)CC1 1705642797 HNFMLVJYEIMNRV-UHFFFAOYSA-N 453.587 2.364 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2Cc2ccc(N3CCO[C@@H](C)C3)nc2)CC1 1705643997 FHGCQMXAAHXUDL-PMACEKPBSA-N 479.629 2.426 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)c2c(C)noc2C)CC1 1705781640 FGCMWAQUFAKKEE-BEFAXECRSA-N 478.619 2.422 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@@H](c2nccs2)C1 1705898565 PYCCOYGKIMNUNN-GOSISDBHSA-N 470.555 2.299 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1705898653 SJZIHDXTKHXORF-MRXNPFEDSA-N 461.885 2.309 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2C[C@@H](C)[C@H](C)C2)cc1 1705912075 YIFIPTVXSLVQPY-OPYAIIAOSA-N 475.615 2.316 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCO[C@@H](COc2ccccc2)C1 1705932420 TWCSLOXHZVZASZ-HXUWFJFHSA-N 471.583 2.169 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1705935053 FPNUDPCOSKWMCX-GDBMZVCRSA-N 459.494 2.021 30 10 JEEE CC[C@@H](C)[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1708339169 BGSRFJFXMWJIJV-WXTAPIANSA-N 488.596 2.434 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cnccc1OC 1712442732 HJMLQQJWQCAKGA-HXUWFJFHSA-N 496.593 2.157 30 10 JEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1c(C)cc(C)cc1C)[C@@H]1CCS(=O)(=O)C1 1722358196 DUZWYCHPYMSGCL-HXUWFJFHSA-N 469.611 2.114 30 10 JEEE C#CCN(c1nnc(CC2CCCC2)n1Cc1ncnn1C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1722371765 LKJWHRMOUOAIQR-GOSISDBHSA-N 459.620 2.032 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CSc3ccc(C)cc3)n2CCn2cncn2)CC1 1722450771 QHJDJIGTEDYSIL-UHFFFAOYSA-N 464.599 2.136 30 10 JEEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1722454834 FVVXBTRDZUSOKY-HXUWFJFHSA-N 470.624 2.187 30 10 JEEE C=C(Br)Cn1c(CNC(=O)c2cccs2)nnc1N(C)[C@H](C)CS(=O)(=O)CC 1722486999 HQSMPRUDWONLGJ-CYBMUJFWSA-N 490.449 2.438 30 10 JEEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1722528162 WHFZHWJWWHZRJQ-OAHLLOKOSA-N 481.479 2.023 30 10 JEEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1722536729 ZIPDZADNBBJXTC-HTAPYJJXSA-N 461.588 2.247 30 10 JEEE C[C@@H]1CN(C(C)(C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCS(=O)CC2)C[C@@H](C)O1 1726633784 DYZWUMUUNYMNRQ-QZTJIDSGSA-N 456.616 2.273 30 10 JEEE CCC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CC(=O)N(CCOC)C2)CCO1 1727982355 GFATUSSBVDJTMY-FPOVZHCZSA-N 452.559 2.317 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H](N1CCOCC1)C(F)(F)F 1740651057 XOMFIQCWDWBIQI-OAQYLSRUSA-N 489.498 2.442 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(-n2ccnc2C)c(F)c1 1740657743 XASZGFJMKRRTOR-FQEVSTJZSA-N 480.569 2.325 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2CC2(N(C)C)CCOCC2)CC1 1740707333 YRHOHIUIQDASOS-UHFFFAOYSA-N 478.641 2.254 30 10 JEEE C=CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)NC[C@@H]2C1 1740863027 MDSPCMITVQEMKD-MSOLQXFVSA-N 475.594 2.157 30 10 JEEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 1740868829 UCISOPVAYHGOHN-OAHLLOKOSA-N 464.592 2.155 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1740992283 OEOZWSWQJWUWPE-INIZCTEOSA-N 465.624 2.042 30 10 JEEE C[C@H](C#N)CN(C)c1nnc(CNC(=O)c2cccs2)n1Cc1cccnc1-n1cccn1 1741134533 CJTMXMAFMBWRJJ-MRXNPFEDSA-N 461.555 2.494 30 10 JEEE CC(C)C(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)N(C)C)CC1 1741280764 FJEQCNHXWWLWLT-GOSISDBHSA-N 453.591 2.420 30 10 JEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(C)s1 1748717651 FLDHWXGYHWJEEC-SFHVURJKSA-N 451.618 2.421 30 10 JEEE COc1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CC[C@](F)(C#N)C2)c(OC)c1 1748782530 DGRBQMSXFHQWDV-QFIPXVFZSA-N 451.462 2.433 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@@H]1CCC=CO1)[C@H]1CCS(=O)(=O)C1 1748821025 LKIJNSUNKJOJFK-FPOVZHCZSA-N 456.568 2.485 30 10 JEEE C#CCN(CC#CC)c1nnc(COc2ccc(Br)cc2)n1C[C@@]1(O)CCN(C)C1 1748902884 MNIKGYLXIYZPEQ-JOCHJYFZSA-N 472.387 2.149 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1nccnc1C 1748964962 OBQJUGJCJHHBHQ-HXUWFJFHSA-N 485.589 2.014 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2ccccc2OCCN(C)C)CC1 1749008748 ATQFUTPMPDHUIW-DEOSSOPVSA-N 494.640 2.474 30 10 JEEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1749044591 RYHNFFWXWKCVMM-INIZCTEOSA-N 452.506 2.135 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1749683435 SXCGRKKDMYWIHC-QKNQBKEWSA-N 472.634 2.242 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1749727459 VBCHKTNBOKQCPS-HXUWFJFHSA-N 470.599 2.159 30 10 JEEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCS[C@H](C(C)C)C1 1749738677 UQXZFYGSBIZCTL-KRWDZBQOSA-N 483.685 2.448 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C(F)(F)F)c1 1750075661 HESLGBUDYDUNOL-WMLDXEAASA-N 486.520 2.274 30 10 JEEE CS(=O)(=O)N1CC[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(CC#N)CC2)C1 1750208504 FGOCLPWBUXZPJW-IBGZPJMESA-N 453.572 2.228 30 10 JEEE Cc1cnn(CCn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)c1 1751728648 BCOSADMSDVLPPS-ZWKOTPCHSA-N 471.587 2.192 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1CCN(C(=O)OC)CC1 1760101613 TUJLJZVOOXAPFQ-INIZCTEOSA-N 487.630 2.483 30 10 JEEE C#CCN(c1nnc(C(C)C)n1Cc1cc2c(cc1OC)C[C@H](C)O2)[C@@H]1CCS(=O)(=O)C1 1760183544 RDZOFHIKKHYZHU-QFBILLFUSA-N 458.584 2.409 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1CC[C@@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1760190027 NUNIKHPXUILCGI-SFTDATJTSA-N 472.611 2.463 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCNc1ccccn1 1760214924 IJNJEPKXTMJYJS-UHFFFAOYSA-N 452.526 2.281 30 10 JEEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1760223504 GMXBVPOIQWBLDL-SZPZYZBQSA-N 451.619 2.490 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccc(-c3n[nH]c(C)n3)cc2)CC1 1760251841 JEGXHHDZTUQJBR-UHFFFAOYSA-N 475.601 2.094 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2ccccc2C(F)(F)F)CC1 1760261881 RKSPGJRSWGUIBI-SFHVURJKSA-N 481.544 2.197 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCN(C)c2ccccc2)CC1 1760265145 PHQFRWZPMNGZDP-UHFFFAOYSA-N 486.580 2.028 30 10 JEEE C#CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1760284597 PCVMYWVFMMXBDF-LJQANCHMSA-N 472.640 2.287 30 10 JEEE C=C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCOCCS(C)(=O)=O)CC1 1760381162 AUJWTYWDOMFEOT-UHFFFAOYSA-N 461.588 2.365 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCOCC(F)(F)C(F)F)CC1 1760402787 USEPNUQJDOXOKZ-AWEZNQCLSA-N 454.490 2.500 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(COC)CC1 1760412101 IEHWGLHRZZKTGY-GOSISDBHSA-N 455.625 2.076 30 10 JEEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1ccc(C)c(F)c1)C1CC1 1760477212 STZAJYPRKGUMCI-QGZVFWFLSA-N 461.563 2.213 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccn2C)n1C[C@]1(O)CCS(=O)(=O)C1 1760477952 PKBQZAPUQLBULQ-HSZRJFAPSA-N 471.583 2.034 30 10 JEEE C=CCn1c(Cc2ccccc2OC)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1760511236 REEGURLWZAKRCE-UGKGYDQZSA-N 452.603 2.442 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCC(S(C)(=O)=O)CC2)cc1 1760530889 WFOGNEMPTAQSQU-UHFFFAOYSA-N 473.599 2.141 30 10 JEEE C[C@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CCCCCC1 1763038945 GTGLMBKOQXXANR-SFHVURJKSA-N 452.559 2.481 30 10 JEEE CCNC(=O)C(C)(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@](C)(C#N)C1 1767173144 CMYLUVNUSMUXSL-HSZRJFAPSA-N 462.562 2.213 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H](C)O)[C@@H]2c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1F 1862647834 MCUSHCISFPUGOY-BIBXISHDSA-N 488.424 2.473 30 10 JEEE COc1ccc(OC)c(C2=C(Nc3ccc(C#N)cc3)C(=O)N(CCCN3CCOCC3)C2=O)c1 1863375518 PYVIMEVBGBWLPG-UHFFFAOYSA-N 476.533 2.490 30 10 JEEE C=CCOc1ccccc1[C@H]1C(C(=O)N2CCN(c3ncccn3)CC2)=C(N)Oc2c1c(C)nn2C 1865227365 IDRUANYQABLBFX-OAQYLSRUSA-N 487.564 2.127 30 10 JEEE COCCN(CCOC)c1nc(NC(=O)c2cccc(C#N)c2)n(-c2ccc(OC)cc2)n1 1870074573 WXYIEUXVTHMYHL-UHFFFAOYSA-N 450.499 2.499 30 10 JEEE CCOC(=O)c1ccc(N2C[C@H](C(=O)Nc3c(C#N)nnn3-c3ccc(OC)cc3)CC2=O)cc1 1870150897 JNLBXQDVBXQWGS-MRXNPFEDSA-N 474.477 2.316 30 10 JEEE C=CCN=c1[nH]c(=NC[C@@H](O)c2ccc(Cl)cc2)[nH]c(=NC[C@@H](O)c2ccc(Cl)cc2)[nH]1 1871740506 OXPYIVICRJNEEQ-RTBURBONSA-N 475.380 2.333 30 10 JEEE COc1ccc(OCCCc2nnc(SCC(N)=O)n2/N=C/c2ccccc2C(=O)O)cc1 1874219992 PAORUILIGCXQEW-ZMOGYAJESA-N 469.523 2.456 30 10 JEEE CN1CCN(CC#CCOC2CCN(S(=O)(=O)Cc3cccc(C(F)(F)F)c3)CC2)CC1 1889642438 JGADLCIRQPDLSG-UHFFFAOYSA-N 473.561 2.267 30 10 JEEE COc1ccnc(N2CCN(C(=O)[C@H]3SCC(=O)N(C(C)C)[C@@H]3c3ccc(C#N)cc3)CC2)n1 1889660699 MGVAWYVBKPOTHM-YADHBBJMSA-N 480.594 2.099 30 10 JEEE CCN(CC)CC#CCNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(Br)cc1 1890797404 WNPNTUDRBMBURL-IBGZPJMESA-N 470.433 2.454 30 10 JEEE COc1ccc(NC(C)=O)cc1NC(=O)COC(=O)C1CCN(C=CC(=O)C(F)(F)F)CC1 2040804346 KMLRVNZINWERQA-UHFFFAOYSA-N 471.432 2.492 30 10 JEEE C#CCN(C(=O)C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 2059616344 LKSYFMCRYIKHNW-PMACEKPBSA-N 464.584 2.136 30 10 JEEE CC(C)(C)OC(=O)N[C@]1(C(=O)N2CCC[C@@H](B3OC(C)(C)C(C)(C)O3)C2)CCS(=O)(=O)C1 2124543151 NWIUSIZFLLDZEY-QVKFZJNVSA-N 472.413 2.153 30 10 JEEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cc(Br)c(F)cc2N)[C@H](C#N)C1 2162920012 BNJONWGBWSMLDK-SNVBAGLBSA-N 463.329 2.304 30 10 JEEE CN(C[C@@H](O)CN(C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(=O)OC(C)(C)C 2255624109 BZEDBGCBUHUUQV-HNNXBMFYSA-N 454.398 2.347 30 10 JEEE C[C@H](CNS(=O)(=O)Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1)NC(=O)OC(C)(C)C 2255802821 FLJCQVWWNPURAW-OAHLLOKOSA-N 454.398 2.318 30 10 JEEE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2256627190 SQKVRQPNPMLDTM-QWHCGFSZSA-N 452.386 2.091 30 10 JEEE CCN(CCN(C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)c(C)nn1C)C(=O)OC(C)(C)C 2267142402 SZHLEXBXYCLGNV-UHFFFAOYSA-N 450.389 2.357 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CC[C@H](NS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267359074 HYPHCMVVUZYNBT-HOTGVXAUSA-N 467.397 2.105 30 10 JEEE CN(C(=O)OC(C)(C)C)C1CN(S(=O)(=O)Cc2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267707974 AYDZZQVEUBPZJZ-UHFFFAOYSA-N 466.409 2.367 30 10 JEEE C[C@H]1C[C@@H](C)CN(C(=O)OC(C)(C)C)[C@@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2268725409 VRVTYKOFMBRBKB-RDBSUJKOSA-N 466.413 2.479 30 10 JEEE C[C@@H](OCc1ccccc1)[C@@H](NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2269029371 AYNJNBYIVGECBG-RHSMWYFYSA-N 481.401 2.384 30 10 JEEE CO[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1 2281794066 AVQMQWNYRWARFP-MSOLQXFVSA-N 461.368 2.135 30 10 JEEE CCCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC1(CNC(=O)OC(C)(C)C)COC1 2281816059 VYTQSGUBGAIUDZ-UHFFFAOYSA-N 463.384 2.221 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)C2CC(B3OC(C)(C)C(C)(C)O3)C2)[C@@H]2CS(=O)(=O)C[C@H]21 2281928006 IAFQZFULIWJURN-BHUNQDJPSA-N 484.424 2.104 30 10 JEEE Cn1cc(C(=O)NC[C@H]2C[C@](F)(CNC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2281970172 QFDZUAZJCSSMDJ-XLOAEROZSA-N 466.363 2.092 30 10 JEEE CC[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2281973883 VGCOHRMNTQOYAM-WBVHZDCISA-N 462.400 2.485 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1[C@@H](CNC(=O)c1cc(B3OC(C)(C)C(C)(C)O3)n[nH]1)C2 2281990323 LSXRLICHFUFATK-UXLLHSPISA-N 460.384 2.474 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H]2CCN(C(=O)c3ncc(B4OC(C)(C)C(C)(C)O4)cn3)C[C@@H]21 2282012934 CHHNIZUBZNQAER-RDJZCZTQSA-N 458.368 2.247 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1 2282013542 ASNOCCBZEFDNGU-BGYRXZFFSA-N 450.392 2.232 30 10 JEEE CC(C)(C)OC(=O)N1CC(NC(=O)c2c(Cl)cccc2B2OC(C)(C)C(C)(C)O2)(C(=O)O)C1 2282025161 LDFWETFKBHPORZ-UHFFFAOYSA-N 480.754 2.443 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCCO[C@H]2[C@@H]1NC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2282031381 RHKFPKTYRVVMEF-LCGIIJARSA-N 479.408 2.243 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@]2(NS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2282493261 SLLRQBPHWZIIIL-LHSJRXKWSA-N 499.464 2.261 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](NS(=O)(=O)c2c(F)cc(F)cc2B2OC(C)(C)C(C)(C)O2)CO1 2282507849 NAVHIIFVJKGNMJ-CYBMUJFWSA-N 490.334 2.093 30 10 JEEE Cn1cc(C(=O)N2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@]3(C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2282578956 YMMSGKNNPQYLRC-CMJOXMDJSA-N 460.384 2.048 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 2282589298 LTSUCQFVLBWDNH-INIZCTEOSA-N 462.400 2.357 30 10 JEEE Cn1cc(C(=O)NC[C@H]2CCCCN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2282590242 YNACWWWIGOEDTP-MRXNPFEDSA-N 462.400 2.486 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCO[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 2282593638 SZYGZPLHEAUCMW-HUUCEWRRSA-N 479.408 2.211 30 10 JEEE CN(C(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1)[C@]1(CNC(=O)OC(C)(C)C)CCOC1 2282664991 KBJUORUTHJYGBY-QHCPKHFHSA-N 461.368 2.137 30 10 JEEE CC(C)(C)OC(=O)N[C@H](C(=O)N1Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C1)C(C)(C)O 2284055978 CDKDFIYOJCPJDE-GOSISDBHSA-N 460.380 2.492 30 10 JEEE C#C[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=NOCC(=O)N[C@H](CO)C(=O)O)CC[C@]4(C)[C@@H]3CC[C@@]21C 2297639335 LFHYHJHRXQUQHI-AIIDQFJJSA-N 472.582 2.248 30 10 JEEE C=CCn1cc(OCC(=O)OCCOC)c(=O)cc1CN1CCN(CC=Cc2ccccc2)CC1 2327527140 HZNCAVZLXHDGNK-UHFFFAOYSA-N 481.593 2.434 30 10 JEEE CCCNC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1N=Cc1ccc(C(=O)O)cc1 2329013094 ZFVLQNRPMNFPID-QGZVFWFLSA-N 472.571 2.201 30 10 JEEE CC(C)(C)OC(=O)NC[C@@]12CN(C(=O)c3cnsc3B3OC(C)(C)C(C)(C)O3)C[C@H]1CCO2 2362503023 LOMXGRGJKIOAIK-JLCFBVMHSA-N 479.408 2.198 30 10 JEEE O=C(CSc1n[nH]c(N/N=C/c2cc(Cl)ccc2O)n1)Nc1ccc2c(c1)C(=O)NC2=O 21080388 GAGINMODIKSNNY-QPSGOUHRSA-N 471.886 2.224 30 10 JEEE CC(=O)Nc1ccc(S(=O)(=O)N/N=C2/C(=O)N(C)c3ccc(Br)cc32)cc1 59153499 KIWLAIMZTMYDAX-CAPFRKAQSA-N 451.302 2.067 30 10 JEEE C=CCn1cc(/C=N/Nc2nc(SCC(=O)NCc3cccc(OC)c3OC)n[nH]2)cn1 59831789 FDAHHXYUZFLBNH-LSFURLLWSA-N 456.532 2.059 30 10 JEEE C=CCn1c(=O)c2ccc(C(=O)NC(C)C)cc2n2c(=O)n(CC(=O)Nc3ccccc3CC)nc12 64581519 BSHKJEOQZAHWHT-UHFFFAOYSA-N 488.548 2.336 30 10 JEEE CC(=NNc1nc2c(c(=O)nc(O)n2C)n1C[C@@H](O)COc1ccccc1C)c1ccccc1 254294020 OXTIBSLMMUAGAS-GOSISDBHSA-N 462.510 2.420 30 10 JEEE COc1ccc(C(=O)N=C2S[C@@H]3CS(=O)(=O)C[C@@H]3N2c2ccc3c(c2)OCCO3)cc1 254392650 WAEXPAPVNSYIEA-QFBILLFUSA-N 460.533 2.382 30 10 JEEE CC(=NNC(=S)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc([N+](=O)[O-])cc1 254557439 YCGCUQTZOJPHLY-UHFFFAOYSA-N 463.541 2.326 30 10 JEEE CCOCCCn1c(=C(C#N)C(=O)Nc2ccccc2C)sc(=Cc2cnn3ccccc23)c1=O 729669777 BDRAUPGTPAPBPL-UHFFFAOYSA-N 487.585 2.434 30 10 JEEE CC(=O)c1cc(C(=O)[C@@H](C#N)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)n(C)c1 916948302 FJCJDNVECNNMNR-LJQANCHMSA-N 456.524 2.363 30 10 JEEE CCOc1ccc(NC(=O)CSc2nnc(NN=Cc3cccc(OC)c3O)n2N)cc1 1084264527 MOSRFJPELOSKSC-UHFFFAOYSA-N 457.516 2.282 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)NC[C@@H]3CCC4(CN(C(=O)OC(C)(C)C)C4)O3)cc2C1=O 1131389559 IAVVNCOFFHQMSN-INIZCTEOSA-N 455.511 2.367 30 10 JEEE Cc1c(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cnn1CCO[C@H]1CCCCO1 1139811034 BVWPUCRGVRYDCR-VXKWHMMOSA-N 451.527 2.137 30 10 JEEE CN(CCOc1ccc(S(N)(=O)=O)cc1F)C(=O)Nc1cc(C#N)ccc1OC(F)F 1215105879 CSLAWGXDVOVRLE-UHFFFAOYSA-N 458.418 2.489 30 10 JEEE COc1ccc(C[C@@H](C)CNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 1225474907 GKTZQQKQFKGZOW-GOSISDBHSA-N 456.568 2.462 30 10 JEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1csc(COC)n1 1286413448 JYRHLXGNIZZKCM-UHFFFAOYSA-N 462.583 2.176 30 10 JEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@@](C)(O)c1cc(C)oc1C 1286415277 IRLLAAKCCSGJHN-HSZRJFAPSA-N 451.552 2.460 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@@H](c2c(F)cccc2F)N(C)C)CC1 1286492085 GNYIQFWIWATDPW-FQEVSTJZSA-N 474.556 2.362 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC1 1286492713 IJLANKBZJPFTLX-GOSISDBHSA-N 484.567 2.096 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](C(=O)NCCC)C1 1286545710 ALLXVKNVVPDMQN-AABGKKOBSA-N 458.607 2.238 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1286549619 APFWMWLAJOMVLU-QTPAZIJBSA-N 489.642 2.384 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCOC2=O)cc1 1286566764 ISVOZCBTJUSLNG-INIZCTEOSA-N 462.576 2.296 30 10 JEEE C=CCCOCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@@H](NC(=O)CC)C1 1286710509 ZCCRZAMYVLYZGK-GOSISDBHSA-N 479.585 2.280 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCC(CC(=O)N2CCN(CC)CC2)CC1 1286790862 YTRZFKNDPDPNMP-UHFFFAOYSA-N 499.685 2.003 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2C[C@H](C)N(C)C)C1 1286806413 YATRKMMGYQIWAR-FUHWJXTLSA-N 461.636 2.278 30 10 JEEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 1286824286 YBYWSRXGKONWQI-UHFFFAOYSA-N 471.624 2.251 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1CCOCCS(C)(=O)=O 1300276052 FVDYHNSSRAVZSB-ZDUSSCGKSA-N 473.368 2.366 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(CC)CC)n2Cc2cc(C)nn2C)c1 1300330970 FMVAMWKTMQEZDZ-UHFFFAOYSA-N 476.585 2.343 30 10 JEEE C#CCCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1300348658 OEYVIWZBAIGRDF-GOSISDBHSA-N 476.375 2.471 30 10 JEEE C#CCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1300391640 CLVIQLFQHGJIIM-HNNXBMFYSA-N 451.980 2.491 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CC(C)(C)CC=C)[C@H]1CCS(=O)(=O)C1 1300483577 LZPYYOUHDWXITA-AVRDEDQJSA-N 450.605 2.159 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1cc(C(C)(C)C)no1)[C@@H]1CCS(=O)(=O)C1 1300487722 LZOKYMFVSJRCAD-QGZVFWFLSA-N 454.556 2.301 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CC(O)(CC)CC)[C@@H]1CCS(=O)(=O)C1 1300489243 KGVMFORJDFEMSH-MRXNPFEDSA-N 451.980 2.171 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1cccc(Br)n1)[C@@H]1CCS(=O)(=O)C1 1300495694 JOEDTEDCZQDADY-SJORKVTESA-N 494.415 2.352 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC2(CS(C)(=O)=O)CC2)CC1 1300707766 JDBPGUIIWHYTNB-UHFFFAOYSA-N 478.018 2.091 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCSCc2ccccc2F)CC1 1300710544 FSIFLTZFJQYKDR-UHFFFAOYSA-N 486.617 2.455 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H]2CCC(F)(F)C2)CC1 1300715829 FQXMNCZFKOMWIT-VGOFRKELSA-N 465.545 2.331 30 10 JEEE C#CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1300751274 JSBWUIACCDIYDQ-SFHVURJKSA-N 455.584 2.387 30 10 JEEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(Cc2cnc(C)s2)CC1 1301436301 ZOILYWVICLGCSU-UHFFFAOYSA-N 487.655 2.469 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CC)Cc1c(F)cccc1F 1301588552 HEGBLKPAJRCOST-HNNXBMFYSA-N 488.582 2.086 30 10 JEEE CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCN(CC(C)C)C2)CC1 1313990088 HJMDCYLUKVUSGH-QHCPKHFHSA-N 492.672 2.443 30 10 JEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)C2=CC[C@@H](NC(=O)OC(C)(C)C)C2)c1 1351599359 AWWDNGJMJFQBPZ-HXUWFJFHSA-N 453.539 2.473 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(N2CCSCC2)CCCCC1 1358890889 WRILGGUJRYAMMU-OALUTQOASA-N 465.689 2.390 30 10 JEEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1358896672 JNUAESJLERXEQH-RDJZCZTQSA-N 468.558 2.211 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCN(CCC)C1)[C@@H]1CCS(=O)(=O)C1 1358958237 JXFUAQUQBODOFY-WIYYLYMNSA-N 486.598 2.212 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1CCOC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1358964848 IKQUCWVMBNMSAC-LMNJBCLMSA-N 460.575 2.307 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1c(F)cccc1N1CCCC1 1359024770 VJESNERHOJDWKT-GOSISDBHSA-N 475.590 2.054 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2Cc2cccn(CC)c2=O)CC1 1359046441 RRICWUQRBWXCJD-UHFFFAOYSA-N 476.556 2.204 30 10 JEEE C=CCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1359223493 MNACXBUXVMILBG-FDDCHVKYSA-N 476.599 2.326 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CC[C@H](C)[C@@H](OC)C1 1359299089 UXFSIVIABLTAQD-PXNSSMCTSA-N 479.585 2.228 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCNC(=O)c2cc[nH]n2)C1 1359326160 ULPVEJNVMJVPSS-YQVWRLOYSA-N 457.579 2.131 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCN(Cc2cn3ccccc3n2)CC1 1359326678 HUPQZCIBMCEFOQ-LJQANCHMSA-N 471.631 2.362 30 10 JEEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1359341550 ACZWRTCXABJTHP-HXUWFJFHSA-N 461.680 2.143 30 10 JEEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC2(CCCCCC2)C1 1359343157 NBAUQZRXOIDIOZ-IBGZPJMESA-N 499.703 2.460 30 10 JEEE CCOC(=O)c1cc2n(n1)C[C@@H](C)N(C(=O)N[C@H]1CCCN(c3ccc(C#N)cc3)C1=O)C2 1469762189 FFNCFTZACCHMLA-BEFAXECRSA-N 450.499 2.041 30 10 JEEE C#CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1507554831 ZHLNYADEKTWCQU-IEBWSBKVSA-N 454.962 2.380 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H]2CCN(CCC)C2)CC1 1507715454 BGGOYZWLDBVNRO-NRFANRHFSA-N 484.048 2.349 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2nc(C(F)(F)F)cs2)CC1 1507733423 YEMNEMZORDPWTH-YOEHRIQHSA-N 470.521 2.281 30 10 JEEE C#CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1507747725 KRYJCSRJNMTVHH-UHFFFAOYSA-N 469.611 2.395 30 10 JEEE C=C(Br)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1507789614 FYBMITWJZUYYMD-UHFFFAOYSA-N 484.420 2.062 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(CCC(N)=O)CC1 1507803474 FYHSDHWIDVZVNL-RXVVDRJESA-N 467.574 2.389 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1507825264 VDHKERBOKPUTSB-GOSISDBHSA-N 483.598 2.322 30 10 JEEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)Nc2cccc(C)c2C)CC1 1507831848 GSINSKVTRCOLQY-FQEVSTJZSA-N 486.642 2.134 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1508075878 XYMMFNAKWLXLJE-HNNXBMFYSA-N 470.965 2.475 30 10 JEEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCCN(C(=O)C(C)C)CC1 1508095719 ROOMCIKFTKSVKD-UHFFFAOYSA-N 468.602 2.069 30 10 JEEE C=CCOc1ccc(Cn2c(N3CCN(C(=O)C(=O)N4CCCC4)CC3)nnc2C(C)(C)C)cc1 1508103033 BMDBHNMCJGWUNV-UHFFFAOYSA-N 480.613 2.460 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2ccc(N(C)C)cc2)C1 1508123326 HRLOZWWUIACZEU-CTNGQTDRSA-N 459.616 2.270 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](c2ccccc2F)C1 1508142280 RVFJKGVBJXGCKJ-XLIONFOSSA-N 464.563 2.490 30 10 JEEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1508155344 MNWWAVWMFPOICR-UHFFFAOYSA-N 470.647 2.179 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)NCC2(CN3CCOCC3)CCCCC2)ccc1F 1515750618 QSLYEQKCCMPVDR-UHFFFAOYSA-N 453.580 2.303 30 10 JEEE CCOC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1516087672 HDCPRIZIQMFPKZ-UHFFFAOYSA-N 460.604 2.492 30 10 JEEE CN(C)S(=O)(=O)c1ccc(CC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cc1 1536590622 FCMNCUWAEPKCSP-UHFFFAOYSA-N 454.552 2.228 30 10 JEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1CC1(N(C)C)CCC1)[C@@H]1CCS(=O)(=O)C1 1539225071 LLCPXWOVPJGCBD-OAQYLSRUSA-N 485.654 2.183 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC1(C)COC1 1539409213 SHLHIUNJDOUFRW-UHFFFAOYSA-N 450.543 2.188 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCS(=O)(=O)CC=C)CC1 1539430163 HKDUPYPVVDVCPJ-NRFANRHFSA-N 471.627 2.391 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC2(O)CCC2)CC1 1539468039 AAXWIXODHQDVNR-QGZVFWFLSA-N 455.534 2.438 30 10 JEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](c2ccc(C)cc2)N2CCOCC2)CC1 1539829156 UQCKTHMTYMIESJ-IRLDBZIGSA-N 488.658 2.427 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCn2cc(Br)cn2)CC1 1539889756 BXDPHIBHGDXMQO-HNNXBMFYSA-N 469.409 2.242 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1539917891 YBIKVGGYJDHASD-SFHVURJKSA-N 472.615 2.140 30 10 JEEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1540019593 KFZBWEDBBBHVDQ-JPYJTQIMSA-N 456.547 2.292 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1540879704 LVLHLQSUQMJWML-HOYKHHGWSA-N 455.559 2.414 30 10 JEEE CNC(=O)[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CC12CCN(C(=O)c1ccnn1C)CC2 1548377917 FCSWCXLARGCCOE-SFHVURJKSA-N 474.487 2.415 30 10 JEEE CC[C@@H](C#N)Oc1cc(CNC(=O)N2CCC(N(C)S(=O)(=O)CC)CC2)ccc1OC 1564025024 GBTPECGBKQEHTE-SFHVURJKSA-N 452.577 2.332 30 10 JEEE COC(=O)CCNC(=O)[C@@H]1CS[C@H](C)N1C(=O)c1ccc(COc2ccc(C#N)cc2)o1 1570123206 BBILHICPDSKMJY-KDOFPFPSSA-N 457.508 2.313 30 10 JEEE C#C[C@@H](C)N(C)C(=O)C1CCN(c2ccc(S(=O)(=O)N(CC)CC)cc2[N+](=O)[O-])CC1 1586325713 JDEXQVFXSFLCGH-MRXNPFEDSA-N 450.561 2.322 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@H](F)COC)[C@@H]1CCS(=O)(=O)C1 1588030565 XNAMHSYCMOWQOJ-CGTJXYLNSA-N 468.526 2.168 30 10 JEEE C#CCN(c1nnc(-c2cc3c(s2)CCCCC3)n1CC(=O)NCC=C)[C@@H]1CCS(=O)(=O)C1 1588034854 MMOADLVEAIMWEU-GOSISDBHSA-N 487.651 2.204 30 10 JEEE C#CCN(c1nnc(CCCc2ccccc2)n1CC1([S@](C)=O)CCC1)[C@@H]1CCS(=O)(=O)C1 1588069360 MFSUYJMPHUSACD-KTBRYMIGSA-N 488.679 2.381 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCCN1CCCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1588073708 BSTIURAJHKLLFK-QHAWAJNXSA-N 463.648 2.411 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCOC3)n2C[C@]2(O)CCCC2(C)C)n1 1588722579 DFTSXPRDQXXXTI-YADARESESA-N 456.591 2.206 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCS(=O)(=O)CC1 1589578037 FGFVCCAZGJJCIE-NCXUSEDFSA-N 452.621 2.413 30 10 JEEE C=C(C)COCCn1c(-c2ccccc2F)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1593722144 KTDHTCGDMOUHGS-UHFFFAOYSA-N 458.538 2.251 30 10 JEEE C=C(C)COCCn1c(-c2cccnc2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1593729720 NZXRNOZNQRIJGJ-FQEVSTJZSA-N 453.591 2.066 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC=CO1 1595260252 GZJHBALDRNTQDG-UXHICEINSA-N 477.587 2.132 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1595488815 AWTMTJUXCUZSRZ-IBGZPJMESA-N 489.418 2.311 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)C[C@H]1CCCOC1 1595536487 BOFQIBBGQMESKE-GOSISDBHSA-N 479.585 2.401 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1595812136 OBNTUKDWCPHJFB-SFTDATJTSA-N 465.664 2.159 30 10 JEEE C=CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CCN(C(=O)NC)CC1 1595845543 VQZMNBWCPYZYMD-UHFFFAOYSA-N 468.425 2.427 30 10 JEEE C[C@H](C#N)CN(C)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1596813309 HXQYLXOXDQPAOY-SJORKVTESA-N 469.571 2.477 30 10 JEEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2COCCO2)C[C@H](C(F)(F)F)O1 1612977699 GVJZWLXWUCMOSS-ZTFGCOKTSA-N 467.448 2.300 30 10 JEEE Cn1cc([C@H]2CCCN2c2nnc(COc3ccc(C#N)cc3)n2CCCS(C)(=O)=O)cn1 1618397818 DJUZNLODFCPRDP-HXUWFJFHSA-N 469.571 2.238 30 10 JEEE COC1(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCCN(S(C)(=O)=O)CC2)CCC1 1619044081 GONPFZHZYNTXKK-UHFFFAOYSA-N 458.588 2.248 30 10 JEEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@H](C)N1CCN(CC)CC1 1689961238 PTYZOXZUOWQECU-HXUWFJFHSA-N 476.629 2.160 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCO[C@H]1C(C)C)[C@H]1CCS(=O)(=O)C1 1689990422 OCIFTFFYSCHYHV-MUGJNUQGSA-N 450.605 2.208 30 10 JEEE C#CCSCCn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1690179298 USNUJIOUIVETJZ-DLBZAZTESA-N 460.629 2.141 30 10 JEEE C#CCSCCn1c(CSc2ccccc2OC)nnc1N1CCCN(S(C)(=O)=O)CC1 1690185072 SJTRIHAETXZVQO-UHFFFAOYSA-N 495.696 2.417 30 10 JEEE C=C(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1690273292 MBFQPPMXMJJQSO-OAQYLSRUSA-N 465.602 2.466 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC2(CC1)COC(=O)N2)C(C)C 1690581121 LDRAOVHLTGRWMN-OALUTQOASA-N 471.606 2.007 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1690666985 NFRCITDSYMJUBU-INIZCTEOSA-N 475.391 2.314 30 10 JEEE CC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CC2)C[C@@H](C)O1 1694965816 AAGMDGCDSSYNBD-SJLPKXTDSA-N 459.572 2.310 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(C(=O)N2CCCC2)n1C[C@](C)(O)C1CC1 1698047409 DXACIQISVGORSG-DEOSSOPVSA-N 452.559 2.200 30 10 JEEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCCN1CCC[C@H]1CO 1705559358 YXJQAEHQNAVAJI-ZCNNSNEGSA-N 460.623 2.355 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CC2([S@](C)=O)CCC2)CC1 1705634027 GVDZNUIGIKOKER-UMSFTDKQSA-N 487.626 2.027 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCO[C@H]2C(=C)C)CC1 1705651433 WQNUYFRMEIHMLB-UGKGYDQZSA-N 496.637 2.217 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(=C)c1ccccc1 1705675239 ZAJVGNSNTQYREE-NZQKXSOJSA-N 455.584 2.317 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2cn3ccccc3n2)nnc1N(C)C[C@@H](C)C(=O)NC 1705706036 OTQYVNGAALLOJJ-FGSXEWAUSA-N 451.575 2.316 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN([C@H](C)c2nc(CC)no2)CC1 1705935156 IRUSZZXVLZINMH-QGZVFWFLSA-N 479.651 2.296 30 10 JEEE CC(=O)N1CCCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2ccc(C#N)o2)CC1 1705979447 NNSQKUFOETWJNZ-HXUWFJFHSA-N 499.572 2.158 30 10 JEEE C[C@@H](CC(N)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1708152283 CBMQJPNPOYFWAL-ZWKOTPCHSA-N 474.569 2.185 30 10 JEEE CC(C)C(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1708152552 FTUHFDACQHSYLO-DLBZAZTESA-N 451.579 2.288 30 10 JEEE CC[C@@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCN1CCN(C)C(C)(C)C1 1708531645 FPXAHJOHKFHHMW-UXHICEINSA-N 480.665 2.194 30 10 JEEE CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1709755216 CORVTJRYXGJLKH-UHFFFAOYSA-N 487.611 2.415 30 10 JEEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@](C)(O)c2cc(C)oc2C)C1 1710345180 BVAXKBKDOFWSCM-RDPSFJRHSA-N 498.609 2.452 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H](OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1722360894 COIUNIJTAJNROE-WIYYLYMNSA-N 474.583 2.014 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1cccc(OCC)c1)[C@@H]1CCS(=O)(=O)C1 1722364200 FCJHSFKDQMYWJP-OAQYLSRUSA-N 465.579 2.338 30 10 JEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CCNc1nccc(C(F)(F)F)n1 1722387036 QWPAXSZNXOPEGQ-UHFFFAOYSA-N 488.499 2.263 30 10 JEEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@](C)(O)c1ccccc1 1722425315 VAIMJIICMKHLOD-XMMPIXPASA-N 482.610 2.232 30 10 JEEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)c1ccccc1F 1722462769 XWVTVMMBHNWKOR-VQIMIIECSA-N 481.619 2.314 30 10 JEEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CCc2cccs2)CC1 1722542736 GTRHAYMCGQSWQU-OAHLLOKOSA-N 459.041 2.067 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC[C@@H](C(=O)NC)C1 1722723712 CTJCYLLCJMQCIR-GOSISDBHSA-N 482.610 2.365 30 10 JEEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCOc2ncccc2Cl)C1 1724009765 FTPWXMKIMCCKEN-FOIQADDNSA-N 464.979 2.438 30 10 JEEE Cc1ccc(NC(=O)c2nnc(N(C)C[C@@H](C)C#N)n2CC(=O)NCC(F)(F)F)cc1C 1724378364 AKJVCXXCDJGRDN-LBPRGKRZSA-N 451.453 2.422 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1cccnc1OCC 1740540847 ZWKDSDRDDOIETM-KRWDZBQOSA-N 468.583 2.495 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC(=O)NCC(F)(F)F 1740561924 HHDDDXBUEVDPHR-MELADBBJSA-N 458.485 2.185 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccc(C)cc1OCC)[C@@H]1CCS(=O)(=O)C1 1740626608 MHYSKOGGISGMFK-WOJBJXKFSA-N 458.584 2.164 30 10 JEEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1CCOCC)[C@H]1CCS(=O)(=O)C1 1740628413 QCMADKGEECGBOP-KRWDZBQOSA-N 452.964 2.174 30 10 JEEE C#CCN(c1nnc(CSc2ccc(Cl)cc2)n1C[C@]1(O)CCOC1)[C@H]1CCS(=O)(=O)C1 1740628759 SWASQWHYSPYBIN-LAUBAEHRSA-N 497.042 2.002 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccc(Br)cc2)n1CC(=O)NCC(F)(F)F 1740642155 RUQFOBYKYCBGML-UHFFFAOYSA-N 484.276 2.371 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCCN1CC 1740685910 NGILRTDSOCLFBW-VQTJNVASSA-N 476.622 2.157 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCc2nccnc2C)CC1 1740704041 IZOIHUVMIOFGPT-UHFFFAOYSA-N 489.580 2.269 30 10 JEEE C#CCSCCn1c(-c2ccccc2OC)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1740715343 XIKQRVPIFCQUCV-KRWDZBQOSA-N 463.629 2.086 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCS[C@@H](C(C)C)C1 1740750427 BTPGYBUZXBAEII-TVFCKZIOSA-N 457.666 2.447 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2cc(OC)cc(OC)c2)n1CC1(O)CCS(=O)(=O)CC1 1740767879 AOJUHMVORGHYJR-UHFFFAOYSA-N 464.588 2.304 30 10 JEEE C=CCN(Cc1cccs1)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1740922085 UCGHIJXMUQWDEV-MRXNPFEDSA-N 461.617 2.214 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)cn1 1740937536 IRMCWTJKLVRDND-FQEVSTJZSA-N 490.561 2.022 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N(C)Cc1cnn(C)c1C 1740959545 ZEXCYRSABKKBQH-UHFFFAOYSA-N 489.584 2.046 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cc(-c3ccccc3)no2)C1 1740972636 KSSVNNGFDKIPIM-FUHWJXTLSA-N 472.571 2.373 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N(CC)C(C)C 1740990142 JUZTUVQNJILNSW-UHFFFAOYSA-N 454.622 2.074 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(Cc2cccc(C)c2)CC1 1740994494 PMOZGYIZONOFBR-UHFFFAOYSA-N 497.669 2.371 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 1740995208 DIPSLBCMNRKETL-AZUAARDMSA-N 479.647 2.205 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@H]2CCCCN2CCCC)CC1 1749009252 NOXNEVPSSKDEIT-OAQYLSRUSA-N 464.618 2.356 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2CC2([S@@](C)=O)CC2)CC1 1749014284 GVAJDFNAHUCVNE-MGBGTMOVSA-N 475.565 2.024 30 10 JEEE C#CCSCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCNC(=O)[C@@H]1CC 1749032853 RTFJGNXRNHHBDZ-IBGZPJMESA-N 479.610 2.317 30 10 JEEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(C)C)CC1 1749046898 JNYRBZRCWCJBRG-UHFFFAOYSA-N 452.584 2.400 30 10 JEEE C=C(Br)Cn1c(-c2noc3c2COCC3)nnc1N1CCN(CCOC)[C@H](C)C1 1749098161 QVQGOMFTPQEQKA-CQSZACIVSA-N 467.368 2.071 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1749120479 DSKYCZZMTOGWIF-BCXHYRKLSA-N 494.390 2.377 30 10 JEEE C=CCN(c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](COC)OC)C1CC1 1749518900 ANHMGIRXWNPVLX-MSOLQXFVSA-N 451.568 2.403 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)C1 1749707451 FGLHDSPHBYKZRB-IRFCIJBXSA-N 457.550 2.437 30 10 JEEE CC(C)(C)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(C(N)=O)nc2)CC1 1750483526 AAVWSVQNCWNOKL-UHFFFAOYSA-N 474.569 2.191 30 10 JEEE C#CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCN(C)S(=O)(=O)CC 1760179508 HYKLKIWTGRPOGR-KRWDZBQOSA-N 468.624 2.091 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2ccccc2F)n1CCC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1760181184 QRURWFITWHVRAC-MSOLQXFVSA-N 491.589 2.099 30 10 JEEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1=CCCCC1)[C@@H]1CCS(=O)(=O)C1 1760181684 ZYDKPAZKWUKSTG-NFBKMPQASA-N 462.616 2.446 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1Cc1nnc2n1CCCCC2 1760197140 QXIAURFDAWFKQR-UHFFFAOYSA-N 475.553 2.410 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(Cc2ccccc2)CC1 1760233908 QWEAPOSZYFHIOW-HXUWFJFHSA-N 457.600 2.093 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccnc(OCc3ccccc3)c2)CC1 1760251752 HIJIMRXAVRKNSU-UHFFFAOYSA-N 473.581 2.194 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](C)Oc2ccccc2OC)CC1 1760269111 YLFOQGJLFWNVGI-GOSISDBHSA-N 477.569 2.121 30 10 JEEE C#CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](S(C)(=O)=O)C1 1760286488 MJDUGHUHQHADOR-IRXDYDNUSA-N 483.660 2.340 30 10 JEEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1760301707 HRGRUGWCIAYPDX-LSDHHAIUSA-N 484.399 2.485 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc2c(c1)CCO2 1760336538 BLQSWWYLRVQRDK-NRFANRHFSA-N 475.615 2.191 30 10 JEEE C=CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@](C)(C(=O)NC)C1)c1ccccc1 1760418347 QYUPWHORLKBVTR-BOCKYXSRSA-N 474.631 2.211 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C=C)CC1 1760522187 NMOGBCJLUSGYSO-GOSISDBHSA-N 460.579 2.291 30 10 JEEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)Cc1scnc1C 1760523547 BJYJSNXWJZHSCK-UHFFFAOYSA-N 467.603 2.156 30 10 JEEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC=C(COC)CC1 1760524330 VMSAQBCFAWHTOB-UHFFFAOYSA-N 474.606 2.478 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC[C@@H](c3noc(C(C)C)n3)C2)nnc1[C@]1(OCC)CCOC1 1760528851 OQNDYFIOKSOZFE-HXOBKFHXSA-N 473.578 2.123 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@H](S(C)(=O)=O)C2)cc1 1760529894 ILYIOYDIQGSGFZ-IBGZPJMESA-N 461.588 2.043 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccc3F)n2CCS(=O)(=O)N2CCSCC2)C1 1760546119 IYJNVJCKHGLUHW-IBGZPJMESA-N 495.646 2.168 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(Cc1ccc(F)cc1F)C1CC1 1760553698 GOFWSNHLPHFYNK-SFHVURJKSA-N 465.526 2.277 30 10 JEEE CN(C[C@@H]1CCOC1)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCS(=O)(=O)C1 1767247817 DHZMKRPWVKBWCX-RBUKOAKNSA-N 459.572 2.026 30 10 JEEE CO[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1)C(C)C 1768131545 DYFQBVLCTIMSAZ-OAQYLSRUSA-N 490.630 2.260 30 10 JEEE C=CCNC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@@H]1CC(=O)N(CCc2ccc(OC)c(OC)c2)C1 1861592598 CTETUVMAZQPQEQ-IFMALSPDSA-N 497.567 2.264 30 10 JEEE C=CCN(CC=C)C(=O)[C@](C)(CC)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 1862251685 ZKDUZRLRAUNCEV-QFIPXVFZSA-N 484.018 2.460 30 10 JEEE C=CCN(CC=C)C(=O)[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(CCCN(C)C)C2=O)C(C)C 1868610380 AGJIOPLVUUCMOP-NRFANRHFSA-N 454.571 2.189 30 10 JEEE Cc1ccccc1-n1nnc(C#N)c1NC(=O)CCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1870155530 RIIHPWDIWQKXBI-UHFFFAOYSA-N 459.422 2.371 30 10 JEEE CN(C)Cc1cc(=O)c(OCC(=O)Nc2sc3c(c2C#N)CCC3)cn1CCCN1CCOCC1 1870324741 XRDLBUZEEXJUJI-UHFFFAOYSA-N 499.637 2.072 30 10 JEEE C=CCn1cc(OCC(=O)N=c2nc3nc(C)cc(C)n3[nH]2)c(=O)cc1CNc1ccc(F)c(F)c1 1870853234 TYWJKBBFLKPPKT-UHFFFAOYSA-N 495.490 2.419 30 10 JEEE C=CCN(CC=C)C(=O)c1cc2c(N3CCN(c4ncccn4)CC3)ncnc2n1CCCOC 1873560179 ZEFRCFRTLYUOOT-UHFFFAOYSA-N 476.585 2.399 30 10 JEEE C[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)C(=O)Nc1cccc(C#N)c1 1873866357 DFBZJCVJMTUNAN-RDJZCZTQSA-N 458.515 2.241 30 10 JEEE C=CCn1c(C(=O)N2CCN(c3ccccc3OC)CC2)cc2c(NC[C@@H](C)O)ncnc21 1875229130 PZSOVOKYOOEILJ-QGZVFWFLSA-N 450.543 2.381 30 10 JEEE CN1CCN(CC#CCOC2CCN(C(=O)c3csc(NC(=O)c4cccs4)n3)CC2)CC1 1890436462 BIEBHZXYPWSEMW-UHFFFAOYSA-N 487.651 2.329 30 10 JEEE Cc1nn(C)c(-n2c(C)nc(I)c2I)c1C#N 1941554031 TUSIJXZROMYAFJ-UHFFFAOYSA-N 453.025 2.304 30 10 JEEE CC(C)(C)OC(=O)NC1(CC(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CCOCC1 2180992291 YGTFTHQHZMMPCF-UHFFFAOYSA-N 462.356 2.178 30 10 JEEE CC(C)(C)OC(=O)NCc1nnc2n1CCN(c1ncccc1B1OC(C)(C)C(C)(C)O1)C2 2241106970 PMCCXRVJJPQHIE-UHFFFAOYSA-N 456.356 2.017 30 10 JEEE C[C@@H](NC(=O)N1CC(NC(=O)OC(C)(C)C)C1)c1nscc1B1OC(C)(C)C(C)(C)O1 2256626717 NHZLIMRMQDRKHH-GFCCVEGCSA-N 452.386 2.422 30 10 JEEE CC(C)(C)OC(=O)N[C@](C)(CO)CNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2266989446 DVLBBVIBJIHTMI-QFIPXVFZSA-N 452.332 2.130 30 10 JEEE Cc1c(C(=O)N(C)C(C)(C)CNC(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2267000309 WFLMCUONVHKNKX-UHFFFAOYSA-N 450.389 2.403 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)[C@@H]2COC[C@H]12 2267137646 OMRDDDZLVYCLBT-BZUAXINKSA-N 464.393 2.411 30 10 JEEE CC(C)(C)OC(=O)N1CC(C[S@@](C)(=O)=NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2267286957 SGAPVPYATPABLL-JGCGQSQUSA-N 467.397 2.419 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ccc(F)c(B3OC(C)(C)C(C)(C)O3)c2)[C@@H](O)C1 2281790307 UALNLSDBYCRDGO-ROUUACIJSA-N 464.343 2.225 30 10 JEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1 2281794069 AVQMQWNYRWARFP-ZWKOTPCHSA-N 461.368 2.135 30 10 JEEE Cc1c(C(=O)NC[C@@]23C[C@@H]2CN(C(=O)OC(C)(C)C)C3)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281800905 ACUJMSPODLFDBK-IQMFZBJNSA-N 460.384 2.015 30 10 JEEE COC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1c(C)nsc1B1OC(C)(C)C(C)(C)O1 2281961615 OKPZUEIBDGLTRC-OAHLLOKOSA-N 481.424 2.459 30 10 JEEE C[C@@H]1C[C@H](NC(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CCN(C(=O)OC(C)(C)C)C1 2282034744 MFSPBLCLYSCBRA-HZPDHXFCSA-N 462.400 2.485 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)CC(F)(F)F 2282172791 AURFPJBBSAGZRH-GFCCVEGCSA-N 474.289 2.351 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1COC[C@H]1NC(=O)c1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2282463968 HRKBMDFUEJMNPD-CRAIPNDOSA-N 464.343 2.394 30 10 JEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)C1NC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2282548363 XHWFUEOUSXNEIK-GJZGRUSLSA-N 462.400 2.341 30 10 JEEE C[C@@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2CN1C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2282568370 BGHGAJWEXVGPDC-VYDXJSESSA-N 460.384 2.047 30 10 JEEE C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)C1 2282569686 VDVBFPQNSPMCIA-CVEARBPZSA-N 462.400 2.485 30 10 JEEE Cn1nc(C(=O)N[C@@H]2[C@@H]3CCCCN(C(=O)OC(C)(C)C)[C@H]32)cc1B1OC(C)(C)C(C)(C)O1 2282627283 HGXCYAKJJBJWCT-BMGDILEWSA-N 460.384 2.237 30 10 JEEE C[C@@H]1CN(Cc2ccccc2)C[C@]1(C)CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282691004 CTGKLVTVNMRWLN-OSPHWJPCSA-N 453.396 2.002 30 10 JEEE Cc1nc(NC(=O)[C@]2(NC(=O)OC(C)(C)C)CCCOC2)ncc1B1OC(C)(C)C(C)(C)O1 2283947120 WNKGPNLDYWUZPI-QFIPXVFZSA-N 462.356 2.097 30 10 JEEE CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)n1 2283969151 OTELXTBDPTXAOP-AWEZNQCLSA-N 483.758 2.429 30 10 JEEE CC(C)(C)OC(=O)N[C@H](C(=O)N1CCc2cc(B3OC(C)(C)C(C)(C)O3)ccc21)C1COC1 2284017123 KDWUYNDVPSLGTC-IBGZPJMESA-N 458.364 2.415 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1COC[C@H]1CC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2284058786 BDNAPKYXYQEQHK-CJNGLKHVSA-N 465.331 2.388 30 10 JEEE CCc1nc(C(=O)N[C@H](CN(C)Cc2ccccc2)C(=O)O)c(B2OC(C)(C)C(C)(C)O2)s1 2284423554 UBCYFZXJESVUKX-MRXNPFEDSA-N 473.404 2.320 30 10 JEEE COc1ccccc1OCc1nnc(SCC(N)=O)n1N=Cc1cccc(OC)c1OC 2328261397 SCGPUOZTCJJLIP-UHFFFAOYSA-N 457.512 2.343 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1[C@H]2C[C@H](CN(C(=O)[C@@H]3C[C@H]3B3OC(C)(C)C(C)(C)O3)C2)[C@H]1CO 2334272004 PNSBXJIUVZODAZ-HVKXIDHRSA-N 450.385 2.449 30 10 JEEE CC(C)(C)OC(=O)NCCc1nnc(NC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)o1 2337329775 HJJWNRTXTPYWRD-UHFFFAOYSA-N 465.341 2.145 30 10 JEEE CC(C)(C)OC(=O)NC1(C(=O)Nc2cc(F)c(F)cc2B2OC(C)(C)C(C)(C)O2)COC1 2351783111 RWYLTDVXAFIIRD-UHFFFAOYSA-N 454.279 2.496 30 10 JEEE N#Cc1c(NC(=O)CSc2nnc(N/N=C/c3ccc(O)cc3O)n2N)sc2c1CCCC2 20292387 GCGKYVDQDGZFQQ-NUGSKGIGSA-N 484.567 2.392 30 10 JEEE COc1ccc(/C=N/Nc2nnc(SCC(=O)N[C@H](C)c3ccccc3)n2N)cc1OC 20292838 UWKGTTLAJUPNIQ-CHOFVFFHSA-N 455.544 2.425 30 10 JEEE CCOC(=O)N1CCN(c2c(/C=C3\SC(=S)N(CC)C3=O)c(C)c(C#N)c(=O)n2C)CC1 33460091 HZZZLLXXOVFOCB-WJDWOHSUSA-N 475.596 2.065 30 10 JEEE COC(=O)c1[nH]c(C)c(/C(O)=C2/C(=O)C(=O)N(CCN(C)C)[C@H]2c2cccc(OC)c2)c1C 102483812 JGFZGUNFQQFTPL-HUZQBFDWSA-N 455.511 2.410 30 10 JEEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 704305878 LCGJPZXBRPCFDJ-UHFFFAOYSA-N 498.410 2.434 30 10 JEEE NC(=S)N1N=C(c2ccccc2)C(=NNc2ccc(S(=O)(=O)O)c3ccccc23)C1=O 1084012354 XTRVAJGMQICHTL-UHFFFAOYSA-N 453.505 2.345 30 10 JEEE CCN(C)C(=O)[C@@H](C)Sc1n[nH]c(NN=Cc2ccc(OC)c(OCn3cccn3)c2)n1 1084457670 FFLUOHGTKCRGPO-CQSZACIVSA-N 458.548 2.451 30 10 JEEE Cc1ccccc1-c1cc(NC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)n(CCO)n1 1160716093 GOFFTXNYRQKIKZ-INIZCTEOSA-N 453.524 2.028 30 10 JEEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1286316371 IBNVOBPVSQQARI-XMMPIXPASA-N 471.627 2.453 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1CCN(CCC)CC1 1286408091 BPFHARBCQFPPSB-UHFFFAOYSA-N 457.582 2.387 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCCn2ccnn2)CC1 1286492882 QRXHWBYYICPZPP-UHFFFAOYSA-N 476.585 2.122 30 10 JEEE C=C(C)COCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1286600621 CKDKACVOLBJOLA-AZUAARDMSA-N 452.559 2.455 30 10 JEEE C=C(C)COCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1286603503 FRJDJMVYLNAMFK-OAQYLSRUSA-N 485.585 2.383 30 10 JEEE C=CCCCn1c(COc2cccc(C)c2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1286703721 GLQKIWIIUJNYRD-UHFFFAOYSA-N 466.586 2.403 30 10 JEEE C=CCOc1ccc(Cn2c([C@H]3CCCOC3)nnc2N2CCO[C@H](CNC(C)=O)C2)cc1 1286796087 IOBOMHAKMXVTCI-RBBKRZOGSA-N 455.559 2.127 30 10 JEEE C=CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H]2OCO[C@@H]2C1 1286832230 QWZMOYBHECKRDA-ZACQAIPSSA-N 467.592 2.067 30 10 JEEE CC[C@@H]1CCCCN1CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C(N)=O)C1 1293377174 FVDGQKMKJPTJAL-WOJBJXKFSA-N 451.575 2.305 30 10 JEEE CCN(CC)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1295527180 GAQNYMYPBCFPGL-UHFFFAOYSA-N 487.612 2.369 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCCc1ccccc1)[C@H]1CCS(=O)(=O)C1 1300478824 CKXVIOFQWWYVTA-FQEVSTJZSA-N 478.578 2.185 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1300479920 VFBTTWFDEVZISP-OTWHNJEPSA-N 465.664 2.090 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1CCc1nc(C)c(C)s1)[C@H]1CCS(=O)(=O)C1 1300488680 UORULTBGMZXGPK-KRWDZBQOSA-N 458.613 2.226 30 10 JEEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H](C)N1CCN(CC)CC1 1300534411 BFJSKUWFXNFGMK-QFIPXVFZSA-N 497.688 2.491 30 10 JEEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1CCC[C@H]1OC 1300666123 UMAUYQVORSIHFI-NHCUHLMSSA-N 453.591 2.353 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(Br)c3)n2CCS(=O)(=O)CC2CC2)CC1 1300685459 OJZMNYMKVCNZIC-UHFFFAOYSA-N 492.443 2.288 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCc2cccc(F)c2)CC1 1300715978 HQVZSZZWFALODF-RUZDIDTESA-N 469.561 2.278 30 10 JEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCCN(c2nc(CC)ns2)CC1 1300732113 KSAWYCVIKOKMCN-UHFFFAOYSA-N 474.660 2.011 30 10 JEEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1300778724 GIORAHYVKOBXMB-BZSNNMDCSA-N 465.620 2.472 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(C)(C)C)CC1 1300884719 LYRIPSJTBBEXEQ-AABGKKOBSA-N 465.664 2.472 30 10 JEEE C=C(Cl)Cn1c(-c2noc3c2COCC3)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1301037439 VAUWMIYIZOHXFQ-GJZGRUSLSA-N 464.954 2.126 30 10 JEEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(I)cc1 1301273697 VMYCMJHBFHAIDI-LBPRGKRZSA-N 475.356 2.163 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1301402273 DYWMRXBKVBJMQN-PXNSSMCTSA-N 459.572 2.251 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1301587372 NXRRMUQDQQFURB-WOJBJXKFSA-N 482.553 2.132 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1c1cccc(C)c1 1301588915 LTHCTBJCEIMKMY-VQTJNVASSA-N 478.640 2.431 30 10 JEEE CC(=O)N1CCN(CCn2c(Cc3csc(C)n3)nnc2N(C)Cc2cccc(C#N)c2)CC1 1301770991 RGZOGQFEFKMSPH-UHFFFAOYSA-N 478.626 2.306 30 10 JEEE Cc1ccn2cc(Cn3c([C@H](C)NS(C)(=O)=O)nnc3N(C)Cc3cccc(C#N)c3)nc2c1 1304257570 BXJVUHDQFQEYEF-KRWDZBQOSA-N 478.582 2.401 30 10 JEEE CCNC(=O)C1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@@H](C(=O)OC)C2)CCC1 1313979411 DWCYFOXWHHMFLL-LJQANCHMSA-N 480.569 2.425 30 10 JEEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](c1ccc(C)cc1)N1CCOCC1 1358937133 JQOMSMORNSZUKC-OAQYLSRUSA-N 459.554 2.377 30 10 JEEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1cccc(CS(C)(=O)=O)c1 1358948802 LQQHONOTPBZFDN-UHFFFAOYSA-N 479.610 2.114 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@H](C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1358954907 AHJQLRDENMBLHV-ICSRJNTNSA-N 478.578 2.356 30 10 JEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CC(C)(C)c1cccs1)[C@@H]1CCS(=O)(=O)C1 1358955703 RIEIHCNPSZIGLB-QGZVFWFLSA-N 475.640 2.180 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CCc1c(C)cccc1C)[C@H]1CCS(=O)(=O)C1 1358956243 CGOUCDZCTNIGFF-OFVILXPXSA-N 486.638 2.416 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1359010248 KPDBSHBLQCGPLH-ROUUACIJSA-N 465.620 2.287 30 10 JEEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1359013353 VHUXEYYUUOGDNY-OAQYLSRUSA-N 478.622 2.344 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCC(=O)N1CCCCCC1 1359023814 XMRYSALFNFGCLY-UHFFFAOYSA-N 491.596 2.071 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(N(CC)CC)nc2)CC1 1359044652 LDYJXYFGGGRPAH-JOCHJYFZSA-N 479.629 2.427 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CCN2CCCC(C)(C)C2)CC1 1359046026 BCJZGRCNQSYPRQ-UHFFFAOYSA-N 463.630 2.352 30 10 JEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N(C)Cc1nc(O)c2ccccc2n1 1359060145 LZEUAMQVUHZMFA-UHFFFAOYSA-N 451.556 2.052 30 10 JEEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1359090206 WVYXSGKWSCNJII-BZSNNMDCSA-N 497.438 2.493 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1359137463 QMJFKPDDIPNRJD-IPMKNSEASA-N 469.652 2.260 30 10 JEEE C=CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1359205694 HAILVCONORIQHL-UHFFFAOYSA-N 463.590 2.317 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1359302600 MSEBDVFDDKXJRV-UHFFFAOYSA-N 456.616 2.462 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1359328869 QDIBZUWCHRYHOL-LSDHHAIUSA-N 475.036 2.457 30 10 JEEE C#CCN(CC(=O)N(Cc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1)C(=O)OC(C)(C)C 1443523216 YQVUILNILDTIHR-GOSISDBHSA-N 450.557 2.081 30 10 JEEE CCC(CC)[C@H](Cn1c(C)nnc1N1CCN(c2ccc(C#N)cn2)CC1)N1CCOCC1 1496628286 FIBKKEJOVSKWGT-QFIPXVFZSA-N 452.607 2.317 30 10 JEEE CO[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1)C(C)C 1503983032 AQZOTMCVXVTJBN-FGZHOGPDSA-N 486.642 2.045 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1Cc1cn(C2COC2)nn1 1507531321 CYWRFJBTCPHBNU-MRXNPFEDSA-N 470.578 2.062 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCC(F)(F)F)nc1 1507539198 SCJDAZVCMWMZIK-DZGCQCFKSA-N 457.478 2.023 30 10 JEEE C#CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)CC[C@H]2C1 1507566953 JLTPETVZZVZGAR-RBUKOAKNSA-N 472.590 2.201 30 10 JEEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1507605167 RFTQGSKCVMCVJU-NTKDMRAZSA-N 454.575 2.057 30 10 JEEE C#CCN(c1nnc([C@H](C)OCCOC)n1Cc1ccc(C)cc1F)[C@@H]1CCS(=O)(=O)C1 1507626318 NLYJNANLJYMVSB-PKOBYXMFSA-N 464.563 2.125 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 1507712485 GEUDBGULHQXFGF-ZWKOTPCHSA-N 472.590 2.105 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N(C)C[C@H]1CCN(Cc2ccccc2)C1 1508089796 KQOLYIIQVRBWNX-YADHBBJMSA-N 452.603 2.433 30 10 JEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(Oc2ccc(OC)cc2)CC1 1508090251 FMFVIDWEROQIPV-UHFFFAOYSA-N 479.585 2.498 30 10 JEEE C[C@]1(C#N)CCCN(c2nnc(CN3CCCC3=O)n2CCn2cc(Br)cn2)C1 1510290512 HOBQTSYYSSDGLC-LJQANCHMSA-N 461.368 2.190 30 10 JEEE CCO[C@@]1(c2nnc(N3CCC(C#N)CC3)n2Cc2cccc(OCC(=O)N(C)C)c2)CCOC1 1516160511 DPTRRZBYQSTTGB-VWLOTQADSA-N 482.585 2.185 30 10 JEEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)N(C)C2CC2)C[C@@H](C)O1 1518939379 DDNOPIRHHMPBNZ-SVMVAKDDSA-N 454.575 2.452 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1cccc(NC(=O)CC(C)C)c1)[C@H]1CCS(=O)(=O)C1 1539221880 RWEMCZAOSYKYSB-IRLDBZIGSA-N 499.637 2.442 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCC(C)CC2)nc1 1539323003 BZEPVGYBKWAJEE-JOCHJYFZSA-N 480.638 2.323 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCCSC1 1539399733 RPYQPXYYYWOSRT-SFHVURJKSA-N 477.656 2.425 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC[S@@](=O)CC)CC1 1539468752 IJBGDLDNZUIZSD-GTOJURISSA-N 475.590 2.292 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCCc2ccccc2)CC1 1539480776 DZYKKYAEJZEBPX-QFIPXVFZSA-N 483.638 2.169 30 10 JEEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1539578953 GCWLFSUVQDLOKZ-GOSISDBHSA-N 499.454 2.045 30 10 JEEE C=CCCOCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCO[C@@H](C(=O)NC)C1 1540028594 GNGWFIAOXFJRPD-GOSISDBHSA-N 494.390 2.260 30 10 JEEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1540874291 AXQYUYNKFJZCGQ-IBGZPJMESA-N 454.575 2.209 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1540875647 SNQDHNCEBAGVRS-HNNXBMFYSA-N 470.471 2.371 30 10 JEEE C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)c1ccc(F)cc1 1541803178 DNODCMFTGRGNEJ-VQIMIIECSA-N 478.594 2.466 30 10 JEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@]2(C)CCN(C(=O)OCc3ccccc3)C2)c1 1556445825 LMGLDVAISHXRCW-QHCPKHFHSA-N 455.536 2.129 30 10 JEEE N#Cc1ccc(C2CCN(C(=O)c3cc(S(N)(=O)=O)ccc3N3CCOCC3)CC2)cc1 1558602103 FNLDSOZGZSMEKJ-UHFFFAOYSA-N 454.552 2.062 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@](C)(Cc2ccc(F)cc2)C(=O)OC)ccc1F 1583452600 NQWZDPWHNZJTKP-NRFANRHFSA-N 452.479 2.333 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2C[C@@H]2CCO[C@@H]2C(=C)C)c1 1587697128 KGAGXKSNUXCALB-NBGIEHNGSA-N 476.581 2.438 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@](C)(O)[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1588041534 XJIQHFPHNOFMPX-XFAGBWLFSA-N 490.626 2.386 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1ccc(OCC)cc1)[C@@H]1CCS(=O)(=O)C1 1588064146 BOJHQKJFLFXEOZ-OAQYLSRUSA-N 465.579 2.338 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](C2CCCCC2)N(C)C)CC1 1588923833 NJFROIMXICKTTC-QFIPXVFZSA-N 466.634 2.155 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2CC2(C(N)=O)CCCC2)CC1 1588946624 GLSSCPLCAUCUGF-UHFFFAOYSA-N 462.598 2.189 30 10 JEEE C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C(F)F)C1 1589405343 RAZQZJUUOMRIRO-OLZOCXBDSA-N 484.367 2.001 30 10 JEEE C=CCNS(=O)(=O)c1cccc(C(=O)N(C)Cc2nnc3n2CCC[C@@H]3C(F)(F)F)c1 1595647515 DOZXGBOCAFURDY-HNNXBMFYSA-N 457.478 2.454 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(C)CC1 1595766349 PRYTTYAOIFQFCK-UHFFFAOYSA-N 452.602 2.186 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)CC(F)(F)F 1595798017 LEFAGWOHJFAWGD-UHFFFAOYSA-N 473.525 2.051 30 10 JEEE CCCC(O)(CCC)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1614415338 GUYGNQQFKRPMOR-NRFANRHFSA-N 454.575 2.489 30 10 JEEE CN(C)CC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2cnn(C)c2)CC1 1617685057 HQWAHTBLLFUANU-UHFFFAOYSA-N 477.617 2.377 30 10 JEEE COc1cc(Cl)ccc1-c1nnc(N(C)[C@H](C)CC#N)n1CC1(O)CCS(=O)(=O)CC1 1619100990 BXQOLKPFRWLYFV-CQSZACIVSA-N 467.979 2.285 30 10 JEEE COc1ccccc1OCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@H](C)OC 1619453080 DSJTZJFJPCDOGO-GOSISDBHSA-N 463.542 2.494 30 10 JEEE CS(=O)(=O)CCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1620162723 GFLCAPDGHTXARP-QGZVFWFLSA-N 479.006 2.068 30 10 JEEE C=CCN(Cc1cccs1)C(=O)[C@H](C)S(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1 1643961714 IUKSFLOXEACMMS-HNNXBMFYSA-N 456.611 2.375 30 10 JEEE CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1 1676454374 CNZIHZCZCKKQAS-HXUWFJFHSA-N 457.556 2.144 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1Cc1c(CC)noc1C)[C@H]1CCS(=O)(=O)C1 1689984694 SRBXOSBRVYAXCO-KRWDZBQOSA-N 499.593 2.496 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(C(=O)N(C)C)CCCC1 1690034377 FWVPMROHFXLOGB-RUZDIDTESA-N 455.603 2.430 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2Cc2ccn(C)n2)CC1 1690138066 RADBSFJQBGZCQL-KRWDZBQOSA-N 465.533 2.305 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Br)n2Cc2ccn(C)n2)CC1 1690139926 FNJMTFCGSVVRLE-UHFFFAOYSA-N 482.386 2.455 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(NC(C)=O)CC1 1690239388 VTBOIMPVBKJYQV-DENIHFKCSA-N 487.626 2.435 30 10 JEEE C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1690277523 ZMCJMJFDZHOEKZ-UHFFFAOYSA-N 471.363 2.432 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cnn(C)c2)n1CC1(C(N)=O)CCOCC1 1690560432 UKPSGIGZEGNTDJ-UHFFFAOYSA-N 460.542 2.025 30 10 JEEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCN(c2nc(CC)ns2)CC1 1690674696 BLLOVMQAUCSWPN-UHFFFAOYSA-N 466.615 2.106 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC(c2ccc(O)cc2)CC1 1690722838 XJHKEFFAXIUFKP-UHFFFAOYSA-N 456.572 2.369 30 10 JEEE CCNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CNC(C)=O)CC1 1695907253 FZMKVAPHCHPVKA-UHFFFAOYSA-N 451.575 2.332 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CC1(O)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1705563134 RCRSBSYSWLCFRC-LJQANCHMSA-N 458.584 2.276 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CC(C)(C)N1CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1705569587 ILNJHWAGIYIUOB-IFMALSPDSA-N 484.670 2.401 30 10 JEEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1Cc1cccnc1OCC(F)F 1705581247 WZLSGXDZZYXKGK-UHFFFAOYSA-N 454.437 2.166 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(COC(C)(C)C)c1 1705583014 OQDLCUMWTCUFKY-QFIPXVFZSA-N 499.637 2.047 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCO2)n1C[C@@H]1CC(=O)N(CCOC)C1 1705621235 WTEFWIFQQIGLFR-TZIWHRDSSA-N 455.534 2.403 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2ccc(OCC(F)(F)F)nc2)CC1 1705652822 OQIXHTWFSAQXRW-UHFFFAOYSA-N 480.491 2.165 30 10 JEEE C=CCC(C)(C)Cn1c(N2CCC(NS(C)(=O)=O)CC2)nnc1[C@]1(OCC)CCOC1 1705802196 DMGLONPMBHXOFB-NRFANRHFSA-N 455.625 2.051 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1705898821 YUNUNFHGDSEUKD-KRWDZBQOSA-N 471.558 2.039 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CC[C@@H](C(=O)N(C)c2ccccc2)C1 1705901036 YIWURNHTYWAREE-LJQANCHMSA-N 459.554 2.440 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(CCN2[C@@H](C)CC[C@@H]2C)CC1 1705905204 NMNQQIOBCOEMDD-SFTDATJTSA-N 483.636 2.305 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1CCN1CCN(C(C)=O)CC1 1722283800 WXRAOUNKOXZXIO-CQSZACIVSA-N 465.421 2.391 30 10 JEEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(C(=O)NCC#C)CC1 1722311096 SPWWKAVBQCHSDS-UHFFFAOYSA-N 467.595 2.118 30 10 JEEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](c1ccccc1)N1CCOCC1 1722402906 GSUIZWGGVOMHEH-OAQYLSRUSA-N 459.554 2.458 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCCO[C@@H]2CCOC2)CC1 1722428911 CUNWTEFZTDBVNN-JOCHJYFZSA-N 466.586 2.098 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1CC[C@H](CO)O1 1722429848 WWVAGEUMMJMIDD-SLFFLAALSA-N 477.606 2.019 30 10 JEEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCCO[C@@H](C)c2ccccc2)CC1 1722441957 VDIOZSODNRRQLH-NRFANRHFSA-N 450.587 2.324 30 10 JEEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1722456511 VRDNSEMMZIQLMM-XMMPIXPASA-N 493.681 2.414 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(=O)NCCC)c1 1722476115 YWQKFLZHHDXXJK-GBXCKJPGSA-N 469.611 2.360 30 10 JEEE C=C(Br)Cn1c(-c2noc3c2COCC3)nnc1N1CCN(C(=O)OCC)CC1 1722483413 GWNBBPJSPSDJDK-UHFFFAOYSA-N 467.324 2.193 30 10 JEEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1722580412 JIXGTWRUCASQJT-IBGZPJMESA-N 459.639 2.153 30 10 JEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1722617384 JEIMIZRMMPWELO-RBSFLKMASA-N 451.515 2.212 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc(-c2cnn(C)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1722673079 IASXSVSLCBXSPI-FQEVSTJZSA-N 469.615 2.195 30 10 JEEE C=CCN(CCc1ccco1)c1nnc(Cc2csc(C)n2)n1C[C@]1(O)CCS(=O)(=O)C1 1722674431 QZLKJXZKSZHCJZ-OAQYLSRUSA-N 477.612 2.012 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1722700513 LGCARZUBSNZSCP-UHFFFAOYSA-N 482.482 2.205 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CC(C)(C)OC(C)(C)C2)nnc1[C@]1(OC(C)C)CCOC1 1722730993 AGDRQRURMSDNPY-QFIPXVFZSA-N 470.636 2.313 30 10 JEEE COC(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CN(CC(C)C)CCO2)C1 1729777547 DTJQPCZLSROVAM-UNMCSNQZSA-N 482.585 2.085 30 10 JEEE N#Cc1ccc(-c2nnc(N3CC[C@H](C(=O)NCC(F)(F)F)C3)n2CCC2(O)CCOCC2)cc1 1731180196 BWNKJOYRAPGTRY-SFHVURJKSA-N 492.502 2.253 30 10 JEEE N#Cc1ccc(OCc2nnc(N3CCC(O)(C(F)(F)F)CC3)n2CC(=O)NCC(F)F)cc1 1731181457 BSOVPMQPDUBKRY-UHFFFAOYSA-N 488.417 2.004 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)cc2Cl)n1CCNS(C)(=O)=O 1740539915 ROQDDLGLWPQSRB-LLVKDONJSA-N 460.785 2.368 30 10 JEEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1740577861 REXLBPKXKBDCBJ-OAQYLSRUSA-N 461.613 2.088 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2ccccc2F)n1CCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1740616917 IWOYNHHAVCWALD-RTBURBONSA-N 475.590 2.280 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1CC[C@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1740618893 CXNIYKXJAHMDAZ-MSOLQXFVSA-N 495.001 2.039 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1CC[S@@](=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1740621923 QGERKIOUEZKDGS-AUMHUTNHSA-N 478.640 2.128 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@H](C)Sc1ccccc1)[C@H]1CCS(=O)(=O)C1 1740622625 ZXRFCICWGJZTHX-HKUYNNGSSA-N 470.624 2.486 30 10 JEEE C#CCN(c1nnc(C2CCC2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1740623685 ZHGBCHSDOWPDNE-NSHGMRRFSA-N 463.648 2.060 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1cc(F)ccc1F)[C@@H]1CCS(=O)(=O)C1 1740624515 HSKGLZZPBCOEFI-LJQANCHMSA-N 457.506 2.217 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCc1csc(C)n1)[C@H]1CCS(=O)(=O)C1 1740625966 UMIYNZBNEQMXNM-SFHVURJKSA-N 476.653 2.268 30 10 JEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1740627029 ZZUHEYFDHRYSEL-MRXNPFEDSA-N 456.490 2.261 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCO[C@@H](C)c2ccccc2)CC1 1740705013 AKYZTTZVDOWYQM-SIKLNZKXSA-N 478.597 2.363 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2Cc2cnn(C)c2)CC1 1740707601 IORWGYCCCLVYQL-FQEVSTJZSA-N 496.616 2.098 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@H](C(=O)NC)C1 1740710586 ZZUUISKGZMHDKB-SFHVURJKSA-N 454.600 2.476 30 10 JEEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1740787720 IFZYAGVWVMDSEJ-SFHVURJKSA-N 493.406 2.456 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1740953874 UHXSRPARFAWQPY-IBGZPJMESA-N 462.558 2.151 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1740963887 AGIHCWFNTXFJHM-MFEFFIJZSA-N 459.522 2.071 30 10 JEEE Cc1noc(CCCn2c(-c3cccc(C#N)c3)nnc2N(C)[C@H](C)[C@H](C)S(C)(=O)=O)n1 1742893802 COXDGSBYUBAEQE-CABCVRRESA-N 457.560 2.399 30 10 JEEE CCCN1CC[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(N(C)S(C)(=O)=O)CC2)C1 1745683123 GMOBCRLAOPKUMY-FQEVSTJZSA-N 485.658 2.409 30 10 JEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC2(CCN(C)C2=O)CC1 1748736027 WDPUKYDYICJKRD-UHFFFAOYSA-N 455.584 2.211 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@@H](C(C)C)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1748819010 ILOXNVLDJOMEFY-RTWAWAEBSA-N 490.699 2.381 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@](C)(O)c1cccs1)[C@H]1CCS(=O)(=O)C1 1748820049 YDCJBYHGSZDIQR-UWJYYQICSA-N 491.664 2.230 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCN(CCC)C1)[C@H]1CCS(=O)(=O)C1 1748821106 LSOWQCQABXPBEP-YADHBBJMSA-N 496.637 2.087 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1cn2ccsc2n1 1748915116 QFKLZWKAUIARQI-UHFFFAOYSA-N 469.596 2.412 30 10 JEEE C#CCSCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1749038220 ITWDEAWJJZMQOQ-OALUTQOASA-N 488.658 2.474 30 10 JEEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCN([C@@H](C)c2nc(CC)no2)CC1 1749044225 PRYCJAMXERRWJW-SFHVURJKSA-N 466.615 2.459 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCCO2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1749131486 SQMQSYYVGAOLLF-GIWBLDEGSA-N 474.650 2.491 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCCC[C@H](S(C)(=O)=O)C2)nnc1[C@@]1(OCC)CCOC1 1749141230 XOJNGLBSKWSFES-QTDGGUCWSA-N 482.647 2.315 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1749650145 LKZISZQXXAIKPC-FQEVSTJZSA-N 481.601 2.190 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1749679803 BFJCXOZTPBRQHD-PZJWPPBQSA-N 470.643 2.338 30 10 JEEE CC(=O)N[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C(C)C)N2CCOCC2)C1 1749949114 ACYXCRWGSZSHEC-LADGPHEKSA-N 495.628 2.190 30 10 JEEE CC(C)CN1CCO[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H](CC(N)=O)C2)C1 1750844798 CYOAQDDSHZNZJR-RBBKRZOGSA-N 465.602 2.265 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OCC(F)(F)F)cc1 1760098046 NPCWWMPUWKFQIN-ZIAGYGMSSA-N 459.494 2.336 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1[C@H]1C[C@H](c2cccc(F)c2)C1 1760117641 RRJBNFVPCNHIDF-RARDXLECSA-N 461.563 2.327 30 10 JEEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCNc1nccc(C(F)(F)F)n1 1760173075 IXSSNQNTFQDBLL-UHFFFAOYSA-N 479.488 2.339 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CCCSC1)[C@H]1CCS(=O)(=O)C1 1760181129 QAYDOUYFGDLBSY-IPJJNNNSSA-N 482.672 2.089 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1C[C@H](C)Oc1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1760189242 GTCQLWJDMHKQQJ-PKOBYXMFSA-N 458.584 2.333 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1cnn(CC(C)C)c1C)[C@@H]1CCS(=O)(=O)C1 1760190487 RGMFGLKJQOXLSE-JOCHJYFZSA-N 481.626 2.100 30 10 JEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1CC1CCN(CC(F)(F)F)CC1 1760221783 KMELANZKBBEZJI-UHFFFAOYSA-N 450.509 2.138 30 10 JEEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCN1CCSCC1 1760226200 NYPYWDBVYREMFA-UHFFFAOYSA-N 461.661 2.055 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(Br)cc3)n2C[C@@H]2CCOC2)CC1 1760260723 DDBUUZQWMIJYSZ-KRWDZBQOSA-N 460.376 2.411 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC[S@@](=O)CC)CC1 1760270669 VNXGHDHDODMSRU-HKBQPEDESA-N 462.019 2.257 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC[S@](=O)CC)CC1 1760271188 OWZPQBSJDXSEAM-JGCGQSQUSA-N 478.018 2.245 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)C[C@@H](O)c1ccc(C)cc1 1760346374 VREFUXXEJFNVOZ-UXHICEINSA-N 463.604 2.055 30 10 JEEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1760359138 CQCWKRCWSMKHEA-QGZVFWFLSA-N 481.644 2.266 30 10 JEEE C=CCn1c(Cc2ccsc2)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1760511602 AIFFPOHHUMJBFP-ZACQAIPSSA-N 479.628 2.243 30 10 JEEE N#Cc1c(NC(=O)CN2CCN(c3nnc(-c4cccs4)c(O)n3)CC2)sc2c1CCC2 1859431426 ZFIRWAWBQAJYPD-UHFFFAOYSA-N 467.580 2.488 30 10 JEEE O=C(C1=C(O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccc(O)c([N+](=O)[O-])c1)c1ccc(F)cc1 1862682748 LFHOVDDGIYYHAN-FQEVSTJZSA-N 471.441 2.350 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(O)c([N+](=O)[O-])c2)cc1 1862691014 WQHRPLDNRLJONK-NRFANRHFSA-N 483.477 2.220 30 10 JEEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc2c(c1)OCCO2 1862745238 DTWZRTWIWRQTMQ-FQEVSTJZSA-N 467.434 2.080 30 10 JEEE COc1ccc(NC(=O)[C@@H](CO)NC(=O)C2CCN([C@@H](C#N)c3cccs3)CC2)c(C)c1 1866867210 NOLZXDJMSVCLGW-UXHICEINSA-N 456.568 2.458 30 10 JEEE Cc1ccc(-n2nnc(C#N)c2NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1Cl 1870155591 VDWQOTSJJZQZIP-UHFFFAOYSA-N 465.813 2.244 30 10 JEEE C=CCN(CC=C)c1nc(=NCCCN2CCCC2=O)[nH]c(=Nc2cc(NC(C)=O)ccc2C)[nH]1 1871620577 KNLFUVSAXUYHST-UHFFFAOYSA-N 478.601 2.329 30 10 JEEE C=CCn1c(C(=O)NCCNC(C)=O)cc2c(N3CCN(c4cccc(Cl)c4)CC3)ncnc21 1873594902 GXMJWKGSTKDTBB-UHFFFAOYSA-N 481.988 2.463 30 10 JEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2185172969 WQVDMMCMBWXGFM-RBUKOAKNSA-N 460.380 2.484 30 10 JEEE CC(C)(C)OC(=O)NOCCCNS(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2255753779 SMZFKGCQHLYIDE-UHFFFAOYSA-N 456.370 2.111 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1S(=O)(=O)NCCCNC(=O)OC(C)(C)C 2255795532 WNUVSNVNJSPHPF-UHFFFAOYSA-N 454.398 2.487 30 10 JEEE Cc1cc(C(=O)N(C)C[C@@H](O)CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2255835303 UTORVAHPJFWBAG-AWEZNQCLSA-N 454.398 2.313 30 10 JEEE C=CCC1(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)CN(C(=O)OC(C)(C)C)C1 2256600241 HTPPOJZYQXSOST-UHFFFAOYSA-N 450.370 2.011 30 10 JEEE CC1(C)OB(c2cnc(NC(=O)[C@@](C)(NC(=O)C(F)(F)F)C(F)(F)F)s2)OC1(C)C 2256604750 FZCMGGYFTHTJNN-CYBMUJFWSA-N 461.193 2.380 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1COC[C@H]1C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)s1 2256623187 PMFANVOKGGNNFZ-CABCVRRESA-N 452.382 2.203 30 10 JEEE CCO[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)[C@H]1NC(=O)c1occc1B1OC(C)(C)C(C)(C)O1 2267493737 MOLFBSDIXQPNEU-BZUAXINKSA-N 450.341 2.379 30 10 JEEE CC[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(O)cc1O 2267805605 LMSDKVAHCZBCCI-CYBMUJFWSA-N 450.341 2.430 30 10 JEEE COC[C@H](ONC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1nscc1B1OC(C)(C)C(C)(C)O1 2268631315 WSHZSOUCNSVFHI-OCCSQVGLSA-N 471.385 2.091 30 10 JEEE Cc1nc(C(=O)N(CCNC(=O)OC(C)(C)C)C[C@@H](C)O)c(B2OC(C)(C)C(C)(C)O2)s1 2269886923 CWCBRWUWVXYPNH-CYBMUJFWSA-N 469.413 2.098 30 10 JEEE COc1cc(CNC(=O)[C@@H](C)ONC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2273766271 SLKLSTZLPWQWHB-CQSZACIVSA-N 450.341 2.455 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@](O)(CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)c(F)c2)C1 2281770895 AKWUJFYIKMKWRE-QHCPKHFHSA-N 464.343 2.227 30 10 JEEE Cc1c(C(=O)NC[C@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281795393 DZVMCMCFWVYJPN-HOTGVXAUSA-N 462.400 2.451 30 10 JEEE Cn1ncc(C(=O)N2CCCC[C@@H](CNC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2281827608 YBCHJKDKJPIVIP-INIZCTEOSA-N 462.400 2.486 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1[C@@H](CNC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C2 2281991109 WIGCUXQEKFNCFP-UXLLHSPISA-N 460.384 2.474 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@]2(CF)CCN(C(=O)OC(C)(C)C)C2)n1 2281996219 MCPWLAKJAKFMRL-QFIPXVFZSA-N 466.363 2.281 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]2C[C@@H]21 2281998452 PABHRIRKNWLQTK-OAGGEKHMSA-N 460.384 2.155 30 10 JEEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCc1ccc(NC(=O)OC(C)(C)C)cc1 2282176424 SZCAZIXHOQWDOC-UHFFFAOYSA-N 457.340 2.391 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@@]2(NS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282352924 COOFSKQJJASSQT-IVZQSRNASA-N 479.408 2.059 30 10 JEEE Cn1cc(C(=O)N[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C23CCC3)nc1B1OC(C)(C)C(C)(C)O1 2282550472 ZKCMBEPDLSIXIV-JKSUJKDBSA-N 460.384 2.285 30 10 JEEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ncc(B3OC(C)(C)C(C)(C)O3)cn1)C2 2282627493 IHRLYTYKLOOJPX-BJWYYQGGSA-N 458.368 2.436 30 10 JEEE CC1(C)OB(c2nccnc2C(=O)N[C@H]2CN(Cc3ccccc3)C[C@@H]2C(F)F)OC1(C)C 2283061157 LKAVYPSZNZRVIF-IRXDYDNUSA-N 458.318 2.271 30 10 JEEE COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1NC(=O)[C@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C 2283947255 YADSATWXASHARG-NVXWUHKLSA-N 462.352 2.303 30 10 JEEE CC(C)(C)OC(=O)N1CC(C)(C)OC[C@@H]1CC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2284127935 AXRHQUXHWKQDRG-ZDUSSCGKSA-N 482.412 2.002 30 10 JEEE CC1(C)OB(c2ccoc2C(=O)NC2(C(=O)O)CCN(Cc3ccccc3)CC2)OC1(C)C 2284437597 UUJFSHWPQYXXEO-UHFFFAOYSA-N 454.332 2.428 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2285182476 KGEYYWMDXQCNSQ-SJLPKXTDSA-N 464.343 2.111 30 10 JEEE Cc1nnc(SCC(=O)NC2CCCC2)n(N=Cc2c(C(=O)O)n(C)c3ccccc23)c1=O 2321653475 FRIYBSUZLCIGTL-UHFFFAOYSA-N 468.539 2.170 30 10 JEEE C=CCN(CC=C)c1nc(NC(=O)C=Cc2ccc(OC)cc2OC)n([C@@H]2CCS(=O)(=O)C2)n1 2331675580 AWVWFXQYYBLUIJ-GOSISDBHSA-N 487.582 2.485 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)N1CCc2scc(B3OC(C)(C)C(C)(C)O3)c2C1 2336502544 YEUSGRJTQOTMBX-GUYCJALGSA-N 466.409 2.206 30 10 JEEE COc1[nH]c(=NCCOCCN(C)C(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2339788416 PALCIPVBNSHWRB-UHFFFAOYSA-N 451.373 2.107 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1[C@@H]2CC[C@H]1N(S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1)C2 2359282630 AXFJJKIEXCBSRC-BMFZPTHFSA-N 499.464 2.260 30 10 JEEE COc1nc(O[C@@H]2CN(C(=O)OC(C)(C)C)[C@H]3COC[C@@H]23)ccc1B1OC(C)(C)C(C)(C)O1 2365374785 MYVWKVMPEIFBKL-HYVNUMGLSA-N 462.352 2.403 30 10 JEEE COc1cccc(/C=N/Nc2nnc(SCC(=O)Nc3cccc(NC(C)=O)c3)n2N)c1 20293051 DHINUNOHDMZVPK-SSDVNMTOSA-N 454.516 2.136 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)NCCCN3CCN(c4ccc(OC)cc4)CC3)cc2C1=O 24750443 ZNIWQJPEOALPDJ-UHFFFAOYSA-N 462.550 2.419 30 10 JEEE C=CCn1c(=O)c2ccc(C(=O)NCC(C)C)cc2n2c(=O)n(CC(=O)Nc3ccccc3F)nc12 64581551 SHQFIOLYGYPSHS-UHFFFAOYSA-N 492.511 2.161 30 10 JEEE CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CCOCCO)[C@@H]2c2ccc(O)c(OC)c2)cc1 102611116 BPILFNQIHWILQK-SADKCHQCSA-N 457.479 2.230 30 10 JEEE COc1ccc(-c2[nH]n(-c3ccc([N+](=O)[O-])cc3)c(=O)c2/C=N\CCN2CCNCC2)cc1 102780529 PDVWLWQOUCASSS-XYGWBWBKSA-N 450.499 2.074 30 10 JEEE C=CCNC(=O)CN1CCN(C(=O)[C@H](CCSC)NC(=O)c2ccc(Cl)cc2Cl)CC1 512714417 RXFNMACCGUSSGB-SFHVURJKSA-N 487.453 2.291 30 10 JEEE C#CCN(C(=O)c1cccc(NS(=O)(=O)c2ccc(C)c(F)c2)c1)[C@@H]1CCS(=O)(=O)C1 729330405 CQLIIDUCNIMAFD-GOSISDBHSA-N 464.540 2.197 30 10 JEEE C#CCN(C(=O)c1ccc(CNS(=O)(=O)c2ccc(F)c(Cl)c2)cc1)[C@H]1CCS(=O)(=O)C1 729330876 GUVGLQCWZQOTFP-KRWDZBQOSA-N 498.985 2.220 30 10 JEEE C=CCc1cc(C(=O)NCCN=c2ncnc3n(C)[nH]c(Br)c2-3)cc(OC)c1OC 729460158 ZEUOHIHXSUJCNB-UHFFFAOYSA-N 475.347 2.087 30 10 JEEE N#CC(c1nnc2n1CCCCC2)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccccc1 729668334 GMYGINUZVIRPGT-UHFFFAOYSA-N 479.569 2.416 30 10 JEEE N#CC(C(=O)Nc1ccccc1)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CCc1cccnc1 729673062 RYLVMMQFAWTRFD-UHFFFAOYSA-N 492.564 2.337 30 10 JEEE C#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)[C@H]1COC[C@H]1C(=O)O 757270541 RMLXUOQYZWJBNF-VJBWXMMDSA-N 462.502 2.475 30 10 JEEE N#CCCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1NC(=O)C[C@@H]1C(=O)O 757547365 UFJSJVUPLHRBPT-NHCUHLMSSA-N 476.489 2.304 30 10 JEEE Nn1c(NN=Cc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)nnc1SCC(=O)Nc1ccc(F)cc1 1084009767 LIPFNRKNPGNUNI-UHFFFAOYSA-N 475.422 2.124 30 10 JEEE COCCn1cc(C=NNc2nnc(SCc3cccc(Br)c3)n2N)cn1 1084089895 OKJMGSBGSIXZPY-UHFFFAOYSA-N 451.354 2.336 30 10 JEEE O=C1c2ccccc2C(=O)N1CCN1C(=O)C(=NNS(=O)(=O)Cc2ccccc2)c2ccccc21 1084135499 ASGWFPSNUDDAFH-UHFFFAOYSA-N 488.525 2.153 30 10 JEEE C=CCn1c(CCN2CCCCC2)nnc1SCC(=O)N1CCN([C@H](C#N)C(C)C)CC1 1165354180 SQNAXYORACGUBX-HXUWFJFHSA-N 459.664 2.277 30 10 JEEE C#C[C@H](NCC(=O)NCCN1C(=O)S/C(=C\c2ccc(OCC)cc2)C1=O)[C@@H]1CCCO1 1193594610 XNASDIDJYWTMCF-FTUUDIRSSA-N 457.552 2.008 30 10 JEEE C#CCN1CCC(NC(=O)NCc2cccc(NS(=O)(=O)c3ccc(OC)cc3)c2)CC1 1227765425 LNTGATACPDCYFP-UHFFFAOYSA-N 456.568 2.393 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(Cc2ccc(Cl)cc2)n1CCNS(=O)(=O)Cc1ccon1 1286295359 HSGKKZSUGPLOEI-OAHLLOKOSA-N 462.963 2.088 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CC[C@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1286388043 LATHDYXMTZXOLV-NHCUHLMSSA-N 453.568 2.403 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@@H]1CCCCS1(=O)=O 1286404466 TXAZGAMONXAICF-IBGZPJMESA-N 456.568 2.393 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1C[C@H](c1cccc(C)c1)N1CCOCC1 1286466812 KHQHUPYFBXIDJH-XZOQPEGZSA-N 453.587 2.250 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CCC(=O)N1 1286772388 CPKHQLXVMFAXEW-QZTJIDSGSA-N 462.595 2.310 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2c(C)nn(C)c2C)C1 1286813665 ZJEQLSHSOUVKOM-QGZVFWFLSA-N 455.588 2.450 30 10 JEEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1286830267 KPAXXLNZNCSANK-FQEVSTJZSA-N 451.600 2.342 30 10 JEEE CC(C)(C)c1ccc(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2CC(=O)N2CCOCC2)cc1 1286987981 BESWCZMDVIZRLG-XMMPIXPASA-N 470.549 2.455 30 10 JEEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1297777607 ABELLHQRLBAKJB-GOSISDBHSA-N 487.611 2.099 30 10 JEEE C#CCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CC[C@](C)(C(=O)NC)C1 1300419432 LPVCGRHLDPOMRD-SANMLTNESA-N 463.630 2.019 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@H](C1CCCCC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1300497438 BOGMWGKGUOVTGS-DHIUTWEWSA-N 484.670 2.401 30 10 JEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1C[C@]1(O)CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1300502391 SMIDWXDNYCWUNJ-QYXIYQDXSA-N 486.638 2.250 30 10 JEEE C#CCN(c1nnc(Cn2ccc3ccccc32)n1CCN(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1300502450 USBRLLIPWMTYRH-NRFANRHFSA-N 468.627 2.248 30 10 JEEE C#CCN(CC)c1nnc(C(=O)NC(CC)CC)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1300595488 CCZDYGCZBVSPQU-GOSISDBHSA-N 453.591 2.324 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CC2CCN(CCN(C)C)CC2)CC1 1300725520 HTXZCYZFLXHWFH-UHFFFAOYSA-N 471.694 2.106 30 10 JEEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(CCOC(C)C)CC1 1300756217 IURRIOMFDOZHIW-UHFFFAOYSA-N 495.653 2.105 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)N1CCc2ccccc21 1300780883 YSYKCGHKNVRAGH-IUKKYPGJSA-N 456.616 2.332 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CCCNC(=O)c2cccc(O)c2)C1 1301556893 KDOSFGUDLYOBPD-TZIWHRDSSA-N 455.559 2.479 30 10 JEEE N#C[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCNc2ncc(Cl)cc2Cl)CCO1 1316535034 BSLNDFXLLXJWNM-AWEZNQCLSA-N 465.345 2.057 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2c(F)cccc2F)n1C[C@H](C)CN1CCN(CC)CC1 1358979897 AVBXTKBPBRTAIW-HXUWFJFHSA-N 454.569 2.494 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@]1(N(C)C)CCSC1 1359015331 PXERAMWDEUCMFI-VGOFRKELSA-N 494.662 2.105 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H]2OCC[C@H]2C)CC1 1359042222 XFVAMZUXJPPMIW-DNVCBOLYSA-N 489.418 2.437 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCOC)CC1 1359044696 MCLVGVVIUUNSMU-UHFFFAOYSA-N 474.606 2.005 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2CC2=CCCOC2)CC1 1359047615 NDNLBRPLNJTZKB-UHFFFAOYSA-N 453.518 2.309 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2CC(C)(C)N2CCOCC2)CC1 1359047700 PYBHNRKAGFROKB-UHFFFAOYSA-N 494.640 2.242 30 10 JEEE C#CCSCCn1c(CCOc2ccccc2)nnc1N1CCC(N2CCNC2=O)CC1 1359060248 OXLDGNLCPWXVCY-UHFFFAOYSA-N 454.600 2.260 30 10 JEEE C#CCSCCn1c(N2CCC(N3CCCCC3=O)CC2)nnc1[C@]1(OCC)CCOC1 1359061726 KTVLMCUKSGPROX-QHCPKHFHSA-N 461.632 2.278 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(N(C)C)CCOCC1 1359066356 YJZRXOTWTXFMFD-HSZRJFAPSA-N 471.627 2.452 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H]1CCOC1 1359258952 IBQLIZYERHARBN-LEWJYISDSA-N 475.615 2.230 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@](F)(C#N)C1 1359299252 ACZVXPYYWWUBDP-AOMKIAJQSA-N 461.542 2.137 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC(c3ncc(C)s3)CC2)nnc1[C@@]1(OCC)CCOC1 1359305913 QNUNELBESWNGMD-JOCHJYFZSA-N 460.604 2.381 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCn2c(C)nc3ccccc32)C1 1359313391 LGPHEORFWCJTSO-FUHWJXTLSA-N 473.603 2.028 30 10 JEEE CC(C)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CC1(C(N)=O)CCOCC1 1359715603 FZHASPIPZGFOMG-UHFFFAOYSA-N 455.538 2.021 30 10 JEEE C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)cc1 1466172368 BJDCSTDHQIGKIH-MRXNPFEDSA-N 456.524 2.166 30 10 JEEE CCS(=O)(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1CCC(=O)N1CCCCCC1 1503244278 DWKXEKKHKZPGII-UHFFFAOYSA-N 472.615 2.480 30 10 JEEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1503254123 FAOQBXLCRPRIFL-IBGZPJMESA-N 472.615 2.383 30 10 JEEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCC(S(C)(=O)=O)CC1 1507579328 SFGAZRRSEDMELK-UHFFFAOYSA-N 454.394 2.473 30 10 JEEE C#CCN(c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H](OC)[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1507634885 QTRMHIFNULFDOR-UDKICSLYSA-N 488.610 2.478 30 10 JEEE C#CCN(c1nnc(COc2ccccc2CC)n1C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 1507638490 FXIYZMZRJXTZHJ-VQTJNVASSA-N 458.584 2.225 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1OCCC1(C)C 1507651957 DBYQPTZJJYUPMM-MOPGFXCFSA-N 457.575 2.474 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2CC[C@H](N2CCOCC2)C(F)(F)F)CC1 1507733614 GALOHOSPNUNNSE-SFHVURJKSA-N 470.540 2.021 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC2CC2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1507804752 HTQNGVPRZQESPC-SBHAEUEKSA-N 451.637 2.320 30 10 JEEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(c2ncccn2)CC1 1507830724 UQVSJVKNQNXJNF-SFHVURJKSA-N 470.578 2.279 30 10 JEEE C=CC1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CCCNC(C)=O)CC1 1507897009 DOHWNZALNAZZAO-UHFFFAOYSA-N 459.620 2.475 30 10 JEEE C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 1508049955 NYKKBYZDJSAHQS-UHFFFAOYSA-N 487.424 2.099 30 10 JEEE C=CCNC(=O)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCNC(=O)[C@@H]1CC 1508074259 RFNRACRLPSFMIX-KRWDZBQOSA-N 465.583 2.394 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C2CCCCC2)CC1 1508093180 UGFJZWWVUZWDIA-UHFFFAOYSA-N 463.586 2.486 30 10 JEEE C=CCNC(=O)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1508093948 DXOBCIHYPWWVOH-GOSISDBHSA-N 463.586 2.346 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1508145256 YPWGFWVWRMPZGV-FDDCHVKYSA-N 478.590 2.383 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCN1c2ccccc2C[C@@H]1C 1513408075 GXVIBMFMQUVFPS-PXNSSMCTSA-N 451.575 2.376 30 10 JEEE CCN(c1nnc(-c2ccc(C#N)cc2)n1Cc1ncnn1C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1515392797 GKFQNGNBYGQAKN-GOSISDBHSA-N 468.587 2.225 30 10 JEEE CCN1CCN(C[C@@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(CC(N)=O)CC2)CC1 1515930360 BRHBZSUHLGTWKW-HXUWFJFHSA-N 478.645 2.182 30 10 JEEE C#CCCCn1c(N2CCN(C(=O)COc3ccc(F)cc3)CC2)nnc1[C@]1(OCC)CCOC1 1539141238 TVPIMXIEFFTNIR-VWLOTQADSA-N 485.560 2.210 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCCOCC)[C@H]1CCS(=O)(=O)C1 1539206763 VVMXSWPYYDLPLO-HNNXBMFYSA-N 470.393 2.089 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CCN(C)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1539225883 RWIZIBKZJNPRPA-HSZRJFAPSA-N 478.622 2.023 30 10 JEEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1CCn1cc(C)cn1)[C@H]1CCS(=O)(=O)C1 1539231845 YVSBINOGIQRBNJ-NRFANRHFSA-N 482.610 2.306 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCO3)n1CC1CCN(CCN(C)C)CC1 1539319636 DXBZSDWCNRDTTQ-UHFFFAOYSA-N 462.598 2.410 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@@H]2CCCCS2(=O)=O)CC1 1539470431 PCHMRPBXTPZQFI-QFIPXVFZSA-N 483.638 2.441 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](CNC(=O)CCC)C1 1539629390 WVJWKEVNXDQDTK-JYLXEMOASA-N 458.607 2.343 30 10 JEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](c2ccc(C)cc2)N2CCOCC2)CC1 1539829157 UQCKTHMTYMIESJ-RBBKRZOGSA-N 488.658 2.427 30 10 JEEE C=CC1CCN(c2nnc(COc3ccc(OC)cc3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1539896974 XYCFKQJGYNOJQL-IBGZPJMESA-N 454.531 2.256 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1ccoc1 1540871599 PEINGOGSPISLIT-KRWDZBQOSA-N 460.535 2.118 30 10 JEEE CC(=O)N1CCc2c(sc(NC(=O)c3c(I)cnn3C)c2C#N)C1 1540918068 JVKZLVOIYKQGNA-UHFFFAOYSA-N 455.281 2.115 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@H](c2nnc(N3CC[C@](F)(C#N)C3)n2CCNC(=O)C2CC2)C1 1541201133 ANTSSAHOTPEKCF-SBUREZEXSA-N 475.569 2.361 30 10 JEEE C#CC[C@@H](NC(=O)N1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1)c1ccccc1 1564384435 ANMLYTZPQACJMN-OAQYLSRUSA-N 454.552 2.459 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)(C)C)n2CCCn2cc(CO)nn2)c1 1587693410 SJEJLGKARSIOCN-UHFFFAOYSA-N 464.574 2.097 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H](C(C)C)N1CCOCC1 1588219201 OHLPBEWGLJKZRQ-QHCPKHFHSA-N 487.608 2.012 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC2CCN(CCC)CC2)CC1 1588750519 DSKVIAACYDKKKV-RUZDIDTESA-N 458.651 2.196 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2CCN(C)C(=O)OC(C)(C)C)CC1 1588848846 NYZKHTWKMNCOAI-UHFFFAOYSA-N 468.602 2.500 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCCCN2CCC[C@@H](C)C2)CC1 1588930334 SUJJFUMOVNAQDH-IRLDBZIGSA-N 456.635 2.260 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC2(O)CC(OCC)C2)CC1 1588961690 IYNMEBHLMZNEOL-UHFFFAOYSA-N 495.624 2.370 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2CCN2CCOCC2(C)C)CC1 1588961823 NFZYNNCEHYZDHO-UHFFFAOYSA-N 498.603 2.073 30 10 JEEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)C[C@H]1CCOC1 1589007743 PYYGMIWQHSEEQR-QGZVFWFLSA-N 463.629 2.035 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1589484100 RBALMAKLWJWLJN-YQVWRLOYSA-N 462.595 2.455 30 10 JEEE C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCCN(Cc2ccc(OC)cc2)C(=O)C1 1589694558 NNWGYIZQLWWKRR-UHFFFAOYSA-N 452.559 2.338 30 10 JEEE C=CCCOCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1594829677 OPMPNBQEDOXAMN-SFTDATJTSA-N 476.622 2.323 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(C)COCCO1 1595303365 RIKUXLGHMNYJEN-JPYJTQIMSA-N 481.594 2.031 30 10 JEEE CC(=O)N1CCC[C@@H](Cn2c(-c3csc(N4CCOCC4)n3)nnc2N(C)[C@H](C)CC#N)C1 1596062947 CZMOTQPQMITYNZ-SJLPKXTDSA-N 472.619 2.235 30 10 JEEE COC(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCC(=O)NC2CC2)C1 1618859634 FQQLXOIWHZQUOK-SFHVURJKSA-N 466.542 2.177 30 10 JEEE COC(=O)c1cc(S(=O)(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)ccc1OC 1621737485 HAAWDKKSDMDMEH-UHFFFAOYSA-N 457.508 2.393 30 10 JEEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2C)CC1 1622714595 OLDAFHHNIIABDQ-UHFFFAOYSA-N 458.588 2.095 30 10 JEEE CCS(=O)(=O)N[C@H](CCSC)C(=O)N1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 1634564655 FWMSKFQCQZSKSL-MSOLQXFVSA-N 459.037 2.110 30 10 JEEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CC[C@@H](C)C[C@H]3CNC(=O)OC(C)(C)C)CC2)o1 1647795243 CCGGWNGTLBTGFU-AEFFLSMTSA-N 460.579 2.129 30 10 JEEE C[C@H](NC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)[C@H]1CN(Cc2ccccc2)CCO1 1679559559 CRRSJCCBRANOMW-OYNPSCLESA-N 457.575 2.334 30 10 JEEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC2(CC1)COC(=O)N2 1689878770 UOGPQIWZXBVWLU-UHFFFAOYSA-N 486.598 2.078 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1CCc1cnc2c(Cl)cnn2c1)[C@@H]1CCS(=O)(=O)C1 1689990313 NPYOTBQDRKGFGE-QGZVFWFLSA-N 490.033 2.432 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1690089707 KHOBDWAZTKCFNX-RBUKOAKNSA-N 494.493 2.271 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCCN(C)C2CCCCC2)CC1 1690144114 MEKFZSFHUXZUMA-UHFFFAOYSA-N 464.618 2.356 30 10 JEEE C#CCSCCn1c(N2CCN(c3ccc(C)cc3)C(=O)C2)nnc1[C@]1(OCC)CCOC1 1690186394 PACNYFLCXQAPDY-DEOSSOPVSA-N 469.611 2.458 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCNC(=O)C1CC1 1690206627 WCHCOKZBICCFTC-MHECFPHRSA-N 472.590 2.105 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN(C)c1ccccc1 1690265466 PLZCPTWMJJGFCO-FQEVSTJZSA-N 462.620 2.150 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1690660244 BXNVAMMTONGREF-SJORKVTESA-N 498.563 2.434 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 1690670606 FTLZXJJGHOGBDP-KRWDZBQOSA-N 470.530 2.430 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H](C)CN1CCN(CC)CC1 1705491003 VQXJYWDIJCJHNR-SFTDATJTSA-N 490.656 2.406 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CCN2CCC(C)CC2)c1 1705505839 UYDVRWAVTCIXLQ-UHFFFAOYSA-N 460.586 2.467 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OCC)CCOC3)n2CCNC(=O)C(C)(C)C)c1 1705505867 VIQWJQKHGMOQTQ-AREMUKBSSA-N 496.612 2.149 30 10 JEEE C#CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC(CC(=O)NC)CC1 1705525367 GAJJHSCUIKCNKQ-UHFFFAOYSA-N 471.631 2.313 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCCOC)[C@@H]1CCS(=O)(=O)C1 1705560060 IBUVTSNLZADEKN-FUHWJXTLSA-N 450.536 2.220 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCOC[C@@H]1C 1705583059 PJOFQRWJKQPXAR-ZCNNSNEGSA-N 457.575 2.332 30 10 JEEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(SC)CCN(C)CC1 1705608477 SOJUYAZBWZUUSX-UHFFFAOYSA-N 451.604 2.208 30 10 JEEE C#CCSCCn1c(N2CCN(C(=O)NC(C)(C)C)CC2)nnc1[C@]1(OC(C)C)CCOC1 1705664843 CSCXXOHQLDLGEC-QHCPKHFHSA-N 478.663 2.315 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)cc2)n1CCNS(=O)(=O)Cc1ccon1 1705677185 FKRBCOZTYLSFNQ-HSZRJFAPSA-N 484.582 2.265 30 10 JEEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1Cc2ccccc2[C@@H]1C 1705737177 LJVBAQZOAHAGHS-PXNSSMCTSA-N 461.588 2.285 30 10 JEEE C=CC1CCN(c2nnc(C(=O)NC(C)C)n2CCCN2CCN(c3ccncc3)CC2)CC1 1705776051 WHVNIUPSRUNBHX-UHFFFAOYSA-N 466.634 2.426 30 10 JEEE C=CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(=O)NCC(F)(F)F)C1CC1 1705850550 YDGZHCBBCSHPMW-UHFFFAOYSA-N 457.478 2.182 30 10 JEEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC=C(Br)C1 1705907266 GEKINRDAPCFYHB-UHFFFAOYSA-N 465.377 2.061 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)c2ccsc2)CC1 1705936348 PDWFMGGSKAJXAP-GOSISDBHSA-N 479.628 2.144 30 10 JEEE CC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](C(=O)NC)C1)NC(=O)OC(C)(C)C 1708780348 DBAOQXQNGHPCJV-MOPGFXCFSA-N 483.573 2.071 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1nnc(C)s1 1722293206 ZHQPRMNKADYXTI-GDBMZVCRSA-N 461.592 2.447 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2CCN(CCC)C2)c1 1722309020 IQYKBKYXUKXZEX-PZJWPPBQSA-N 463.586 2.017 30 10 JEEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)Nc2cccc(C)c2C)CC1 1722315442 MCPPVKVKIDUDSC-JOCHJYFZSA-N 477.613 2.410 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1oc2ccc(F)cc2c1C)[C@H]1CCS(=O)(=O)C1 1722358614 JOPYCFRJNRKDNY-KRWDZBQOSA-N 487.557 2.285 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Cl)n1CC1(O)CC(OCC)C1)[C@H]1CCS(=O)(=O)C1 1722363767 VJURLHCMGPJJMN-YPHUNTSASA-N 479.002 2.155 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CCCc1cccc(C)n1)[C@H]1CCS(=O)(=O)C1 1722366050 OFNWMCWVRJUMJV-QFIPXVFZSA-N 464.595 2.227 30 10 JEEE C#CCN(c1nnc(COc2ccccc2OC)n1CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1722371253 VEIPIEVHKXVJGF-AWEZNQCLSA-N 458.462 2.055 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1(N2CCOCC2)CC1 1722388380 VTAZBRVNLIYCBT-FQEVSTJZSA-N 468.602 2.288 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(OC)c2)n1Cc1cccnc1N1CCOCC1 1722419858 DFCYTCGHSHVVLQ-UHFFFAOYSA-N 462.554 2.320 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2Cc2ccc(NC(C)=O)cc2)CC1 1722445702 WMCLULREMUNFLO-UHFFFAOYSA-N 459.554 2.256 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(Cn2ccnc2)c1 1722517359 KDNVWEXOZWGKPM-JOCHJYFZSA-N 499.641 2.307 30 10 JEEE C=C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2CCN(CCN(C)C)CC2)CC1 1722558942 DYWPEUZRUBVEKY-UHFFFAOYSA-N 452.607 2.355 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@H](c2noc(C)n2)C1 1722693581 TZMXJBLQXBVUIV-INIZCTEOSA-N 475.456 2.118 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1722703752 GREHLVJERVZSGL-GOSISDBHSA-N 469.571 2.450 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccccc1Br 1722728691 XAUFJRIMMBAJIH-MRXNPFEDSA-N 482.404 2.229 30 10 JEEE CC(C)CN1C[C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCCC(=O)N(C)C)CCN2C1=O 1723446137 AXRJFUMAGNTVMT-OAQYLSRUSA-N 478.601 2.267 30 10 JEEE CCCn1nc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H](COC)OC)c2ccccc2c1=O 1728162245 GKZSJHYPDXCQQQ-MWTRTKDXSA-N 469.521 2.168 30 10 JEEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC[C@H]2OC)C1 1728681482 BWWLWELYRWBKSC-VAMGGRTRSA-N 458.588 2.150 30 10 JEEE C#CCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1740583677 WFHBMSFVOCJGDN-KRWDZBQOSA-N 453.572 2.219 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1CC(F)(F)C1(OC)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1740617847 XYXKQIKJRUSWSH-IAGOWNOFSA-N 474.574 2.249 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC(C)(C)OC)[C@H]1CCS(=O)(=O)C1 1740626831 CTSKDMUGIBCAEM-RCCFBDPRSA-N 452.621 2.248 30 10 JEEE C#CCN(c1nnc(COCC)n1CC1(c2ccccc2)CCOCC1)[C@H]1CCS(=O)(=O)C1 1740627701 JKLIZRALLCWHNP-NRFANRHFSA-N 472.611 2.190 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cc(C)nc(N2CCCC2)c1 1740629135 BYSUNWSLZUBFPT-UHFFFAOYSA-N 454.538 2.350 30 10 JEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN1CCC(C)CC1 1740636968 KOGXXFPQZBIXHW-UHFFFAOYSA-N 453.616 2.043 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(OC)c(Br)c2)n1Cc1nncn1CC 1740681990 ZKBWIVPPKFNCRC-UHFFFAOYSA-N 474.363 2.462 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCOc2ccc(C)cc2)CC1 1740703049 DVFSCFKDFNZXEG-SANMLTNESA-N 481.597 2.283 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2CCCOC[C@H]2CCCO2)CC1 1740703975 HNJJSWRXYKXHSN-JOCHJYFZSA-N 451.571 2.497 30 10 JEEE C#CCSCCn1c(-c2cccc(Cl)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1740711664 QOTCKIHQRREDMG-QGZVFWFLSA-N 458.975 2.438 30 10 JEEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1740717797 APOPONRPXJILIW-QZTJIDSGSA-N 465.620 2.268 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCC2(CC1)COC(=O)N2 1740751425 KCVLQLIWRBBCNL-WMZOPIPTSA-N 460.579 2.257 30 10 JEEE C=C(Cl)Cn1c(-c2nnc(O)c3ccccc23)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1740809396 LJWZHCRLCITOII-OAHLLOKOSA-N 492.989 2.376 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)OCC(C)C)CC1 1740844358 YRCLDIBOASIWSY-QGZVFWFLSA-N 470.640 2.405 30 10 JEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccc(F)c1F)C1CC1 1740911036 VTCAIIAEHARTKA-GOSISDBHSA-N 467.542 2.287 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccccc1)N1CCOCC1 1740932772 VNFPFPQVJIEZAC-YADHBBJMSA-N 471.627 2.432 30 10 JEEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1740963419 KKSLWNOHXQKECI-AXHZCLLHSA-N 455.559 2.240 30 10 JEEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCCC2(C)C)CC1 1741055192 FXUPZQFFZKORSJ-XMMPIXPASA-N 452.559 2.338 30 10 JEEE CC(C)Oc1ccccc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1741739694 GKGCTHMPIDDOQW-NRFANRHFSA-N 488.614 2.186 30 10 JEEE CN(c1nnc(COc2ccc(C#N)cc2)n1CC[C@@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1747656032 FSMRGNMWZLINRT-OALUTQOASA-N 459.572 2.311 30 10 JEEE C#CCCCn1c(C2CCCC2)nnc1N1C[C@@H]2[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1748751234 UTXMNACPTHCMCF-CEXWTWQISA-N 477.631 2.476 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)ccc2Br)n1CC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1748810036 ZHKNNTDVCVQIKW-CQSZACIVSA-N 497.415 2.114 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1Cc1cc2c(cc1OC)C[C@@H](C)O2)[C@@H]1CCS(=O)(=O)C1 1748817199 GMLXHHRKMBDPOU-YLJYHZDGSA-N 472.611 2.484 30 10 JEEE C#CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(C(C)=O)C[C@@H]1C 1749032473 IUCSQXCJDHNVKL-KRWDZBQOSA-N 479.610 2.098 30 10 JEEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](c2ccccc2)C1 1749229487 KYLWMONNHQQLOD-SFTDATJTSA-N 475.615 2.198 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(-n2ccnc2C)nc1 1749575023 KEUQSGWISLWYEQ-IBGZPJMESA-N 453.572 2.296 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC(=O)NCC(F)(F)F 1760110652 GAYWSAUDWJDDNF-AWEZNQCLSA-N 475.475 2.201 30 10 JEEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@H](CNC(C)=O)C1 1760132695 LVXBBLPINZZKIZ-HXUWFJFHSA-N 486.642 2.351 30 10 JEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(c2ncc(F)cn2)CC1 1760146950 BIZSAMFLZRHELL-UHFFFAOYSA-N 469.546 2.018 30 10 JEEE C#CCCCn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1760156895 WXGVBRPBKRZLAX-QHCPKHFHSA-N 464.614 2.228 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1Cc1nnc(CC)s1)[C@H]1CCS(=O)(=O)C1 1760191674 LOLPAACWQGICTE-INIZCTEOSA-N 490.586 2.085 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1cccnc1OCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1760192790 NTIKUTNSSWPSAJ-DLBZAZTESA-N 499.515 2.141 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC[C@@H](C(F)F)N1CCOCC1 1760232392 DBAJVHNSPSRHNS-IBGZPJMESA-N 485.539 2.008 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CC2(C(N)=O)CCOCC2)CC1 1760265862 KLWYUEFBPCZOHC-QFIPXVFZSA-N 492.624 2.068 30 10 JEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)Nc2ccccc2)CC1 1760281436 SDYMVSYQGAJVFV-LJQANCHMSA-N 467.599 2.386 30 10 JEEE C#CCSCCn1c(COc2ccc(C)cc2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1760285732 PPGJEYCCEVNWNA-GOSISDBHSA-N 480.598 2.064 30 10 JEEE C=C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1760381879 CPMKDHCHCFZGJL-HRAATJIYSA-N 450.536 2.263 30 10 JEEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1760414961 JZBUQDXTWQBXFG-GOSISDBHSA-N 463.590 2.380 30 10 JEEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C 1760456387 OBCXKODMBZPNOI-HRCADAONSA-N 456.613 2.156 30 10 JEEE CCC(CC)NC(=O)c1nnc(N(C)[C@H](C)CC#N)n1C[C@@]1(N2CCOCC2)CCSC1 1762182946 HEVXFMWBODSRNO-VGSWGCGISA-N 463.652 2.143 30 10 JEEE CCCn1nc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCC(=O)NC)c2ccccc2c1=O 1764494685 HGSRMTGMPMSKRR-DEOSSOPVSA-N 462.558 2.331 30 10 JEEE Cn1cc(-c2nnc(N(CCC#N)CC3CC3)n2C[C@@H](N2CCOCC2)C(F)(F)F)cn1 1767448489 AUMRRJBPZXFBEW-QGZVFWFLSA-N 452.485 2.072 30 10 JEEE COC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCC2(O)CCOCC2)C1 1767878621 CZUHZWYLNQTGNJ-LJQANCHMSA-N 469.542 2.050 30 10 JEEE COC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1767984819 GDBLOHDMWWQYNP-UHFFFAOYSA-N 482.585 2.229 30 10 JEEE CNC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCC[C@H]2C)C1 1769215326 BORNFFUVKUDYOY-YJLYGGOZSA-N 452.559 2.242 30 10 JEEE COCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1771120377 CGMFGUNLWYGGHG-OAQYLSRUSA-N 451.531 2.094 30 10 JEEE CS(=O)(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCS2)CC1 1771363512 DXWTZSYPEJLJHA-LJQANCHMSA-N 476.628 2.142 30 10 JEEE COc1ccc2nc(N3CCN(S(=O)(=O)c4ccc5c(c4)OCCO5)CC3)c(C#N)cc2c1 1857959747 QGEBJDMYARIKPT-UHFFFAOYSA-N 466.519 2.397 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCNC(C)=O)[C@H]2c2ccccc2C(=O)O)cc1C 1862407040 FCIQHFBUEKQCDP-FQEVSTJZSA-N 452.463 2.416 30 10 JEEE C=CCN(CC=C)C(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1ccc(C(C)C)cc1 1865728788 IQXFBRCFSNFQSS-SFHVURJKSA-N 450.539 2.103 30 10 JEEE C=CCn1c(C(=O)N2CCN(c3ncccn3)CC2)cc2c(NCc3ccncc3)ncnc21 1875229691 BIJQTVUNGFULGR-UHFFFAOYSA-N 455.526 2.377 30 10 JEEE C=CCn1c(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc2c(NCCOCCO)ncnc21 1875231060 YEQSOHFPFMBPFI-UHFFFAOYSA-N 468.533 2.140 30 10 JEEE Cc1ccc(N2CCN(C(=O)[C@H]3SCC(=O)N(C(C)C)[C@H]3c3ccc(C#N)cc3)CC2)nn1 1889534525 XIBAPELOAZREJE-GOTSBHOMSA-N 464.595 2.399 30 10 JEEE C#CC(CO)(CO)NC(=O)[C@@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 2245475049 PGQCJEJEFZLTBE-HSZRJFAPSA-N 450.535 2.413 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](NS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2247881341 WILPCBIAAKOPDA-CYBMUJFWSA-N 458.411 2.335 30 10 JEEE CC(C)(C)OC(=O)N1CC2(CCN2S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2255951292 CENSYRHJSXZBMW-UHFFFAOYSA-N 470.422 2.431 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H]1C(=O)NCc1sccc1B1OC(C)(C)C(C)(C)O1 2256624618 OFKDSDQPERYKIX-DZGCQCFKSA-N 452.382 2.034 30 10 JEEE CC(C)C[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2267510476 LPXQQBQOCPFCDJ-OAHLLOKOSA-N 450.389 2.389 30 10 JEEE Cc1c(C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C(F)(F)F)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281800581 KWODTBSYPDOXAC-LBPRGKRZSA-N 476.305 2.213 30 10 JEEE Cc1c(C(=O)N2CC[C@](C)(CNC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281985083 HKZHYYYDLOMLND-HSZRJFAPSA-N 462.400 2.405 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1C[C@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2 2282003597 DGQOUYDUPWIQAQ-HRCADAONSA-N 460.384 2.155 30 10 JEEE Cn1nc(C(=O)NCC2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2282037706 YWQRALRKSGOOGY-KBPBESRZSA-N 480.802 2.215 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H](NC(=O)OC(C)(C)C)C(F)(F)F)n1 2282587167 JDTKQWXEVNWPNE-ZDUSSCGKSA-N 476.305 2.388 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@@]2(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)C1 2282608126 QLCPJKBDDDNDBM-FPTDNZKUSA-N 479.408 2.198 30 10 JEEE CC(C)(C)OC(=O)NC[C@]12CC[C@H]1CN(C(=O)c1ncc(B3OC(C)(C)C(C)(C)O3)cn1)C2 2282613784 DHBVPUUCVIWCFK-WNSKOXEYSA-N 458.368 2.153 30 10 JEEE Cn1nc(C(=O)NC[C@H]2CCN(C(=O)OC(C)(C)C)C23CC3)cc1B1OC(C)(C)C(C)(C)O1 2282626622 CXNJJSMHWMPCIN-OAHLLOKOSA-N 460.384 2.239 30 10 JEEE Cc1cnc(C(=O)N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2282643698 DTZPJQCGKIHQHW-INIZCTEOSA-N 461.368 2.055 30 10 JEEE C[C@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2O)C[C@@H]1NC(=O)C(F)(F)F 2282979963 HQHWZAIJZILFEI-WFASDCNBSA-N 456.270 2.221 30 10 JEEE COC(=O)[C@H](CC(=O)NCc1sc(C)cc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2283927264 YRQKZUPQNOIXIB-HNNXBMFYSA-N 482.408 2.428 30 10 JEEE C[C@@H](NC(=O)C1(O)CCN(C(=O)OC(C)(C)C)CC1)c1nscc1B1OC(C)(C)C(C)(C)O1 2284052039 UXNVNRYYHHXMOX-CQSZACIVSA-N 481.424 2.382 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H](C(=O)O)[C@H](C)OCc2ccccc2)n1 2284475017 RHTICPFEAXAPLS-QFBILLFUSA-N 454.332 2.478 30 10 JEEE C=CCN1C(=O)C(=Cc2ccc(OCC(=O)OCC)c(Br)c2)C(=O)NC1=S 2294216970 UYZXHJIEYHIHJH-UHFFFAOYSA-N 453.314 2.204 30 10 JEEE COC(CN=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)OC 2297472113 XWFDREYZNGAQBP-KSSWTOQFSA-N 491.625 2.389 30 10 JEEE CC1(C)OB(c2cccc(S(=O)(=O)N[C@H](CCO)COCc3ccccc3)c2)OC1(C)C 2343588139 IYADLVRWXAARCN-HXUWFJFHSA-N 461.389 2.232 30 10 JEEE CC(C)(C)OC(=O)N1CCN(c2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)[C@@](C)(CO)C1 2345737624 YJNSGXHMRRYYAT-JOCHJYFZSA-N 451.348 2.328 30 10 JEEE C=CC1(N[C@]2(C(=O)O)C[C@@H]3OCCN(C(=O)OC(C)(C)C)[C@@H]3C2)CN(C(=O)OC(C)(C)C)C1 2349784734 TXFPXRLRCWFOJT-SYJLOODJSA-N 467.563 2.373 30 10 JEEE Cc1cc(NC(=O)[C@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2360550972 IYMITSXZBGTJAU-KRWDZBQOSA-N 482.408 2.171 30 10 JEEE CCc1nnc(CNC(=O)CSc2n[nH]c(N/N=C/c3ccc(N(CC)CC)cc3)n2)o1 59878848 VUVBBPXDPGKDKS-SSDVNMTOSA-N 457.564 2.451 30 10 JEEE COc1ccc([C@@H]2c3c(nc(N4CCC(C)CC4)[nH]c3=O)NC(=O)[C@H]2C#N)c(OC)c1OC 72445304 MVNNYZOAFOWTOG-HOCLYGCPSA-N 453.499 2.256 30 10 JEEE COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1-c1ccc(OC(C)C)cc1 608828576 CVGOWGCGDHHHPW-GOSISDBHSA-N 477.586 2.340 30 10 JEEE Cc1nn(C)c2sc(C(=O)N[C@@H](C)C(=O)N3CCN(c4cccc(F)c4C#N)CC3)cc12 1135946657 BCCWLAALKOQNSQ-AWEZNQCLSA-N 454.531 2.421 30 10 JEEE C#CCC1(O)CCN(C(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)CC1 1224396349 DSMBIAJNZOXILH-UHFFFAOYSA-N 452.534 2.002 30 10 JEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1c(CC)nn(C)c1OC 1286376435 LDJKVZATMIINHD-SFHVURJKSA-N 473.578 2.009 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@]1(O)CCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1286381305 FYGABPJDUYFELN-ZWDAVXSWSA-N 473.555 2.031 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CC[C@H](OC)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1286384485 RAHZPDCVYRZJGE-ROUUACIJSA-N 481.500 2.411 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1CCc1ccc(Cl)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1286389302 HVKHJWHNWBYXAO-KRWDZBQOSA-N 486.985 2.267 30 10 JEEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCC(F)(F)C1)[C@H]1CCS(=O)(=O)C1 1286393521 FHEOEQQEIRZMPZ-CVEARBPZSA-N 497.593 2.332 30 10 JEEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1C[C@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1286395186 LMEQNGXBEJTRHX-PMACEKPBSA-N 459.616 2.051 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)c2nc(C)cs2)CC1 1286470316 XMWLJMNYTJWPGW-INIZCTEOSA-N 450.572 2.249 30 10 JEEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](c2c(F)cccc2F)N(C)C)CC1 1286477381 ZBTSLZKAFSSVQA-FQEVSTJZSA-N 454.529 2.015 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cnn(-c3ccccc3)c2)n1CCCNS(C)(=O)=O 1286522005 HEHLZFUVDFABDX-JOCHJYFZSA-N 453.572 2.062 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCNC(=O)c2ccccc2F)CC1 1286663053 FIGDKOMMLOVLJM-QGZVFWFLSA-N 461.563 2.152 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(Cc2cc(C)on2)CC1 1286779002 GHQZIEVFQZMKQD-SFHVURJKSA-N 483.548 2.478 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCN(C)C(=O)[C@H]1C 1286783709 ZQFUUZSXXDGVDH-QGZVFWFLSA-N 464.526 2.086 30 10 JEEE CC(C)CN1CCC[C@@H](Cn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@@H](C#N)C2)C1 1287739823 BHSZAOKFKKXJGJ-MOPGFXCFSA-N 471.631 2.366 30 10 JEEE CO[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ncccc2C(N)=O)CC1)C(C)C 1299648536 HXFIBZKSCSTABI-OAQYLSRUSA-N 474.569 2.308 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2CCCN2C[C@H](C)O[C@@H](C)C2)CC1 1300715664 BKNSCJBRBUNBAP-SFTDATJTSA-N 494.640 2.419 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2C[C@@H](CCC)OC)CC1 1300719140 POVWMOAPYITGTA-HXUWFJFHSA-N 467.570 2.497 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 1301490365 RTYDWJYMEVMWCN-INIZCTEOSA-N 453.499 2.220 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1301576243 TTZAXNADHGEAJU-SFHVURJKSA-N 470.599 2.111 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1Cc1ccnc(-n2cccn2)c1 1303805647 AGZKRSOCDQFJTM-KRWDZBQOSA-N 491.581 2.025 30 10 JEEE C[C@H]1CCCN([C@@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(CC(=O)N(C)C)CC2)C1 1305022691 COCOIHQGRKUUCG-SFTDATJTSA-N 478.645 2.147 30 10 JEEE COC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCCCCC2=O)CCO1 1315932714 DARZVLXUVHBTFH-OAQYLSRUSA-N 452.559 2.461 30 10 JEEE N#CCC1CCN(c2nnc(CNC(=O)c3cccs3)n2CC2CCS(=O)(=O)CC2)CC1 1316535907 GSEHKYDNLYFQTF-UHFFFAOYSA-N 476.628 2.224 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1cn2ccsc2n1 1358877197 YQZXEIAXORNFBJ-OAHLLOKOSA-N 469.596 2.411 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCNC(=O)C1CCC1 1358886071 XFIRIIDXNHJARY-QGZVFWFLSA-N 461.570 2.439 30 10 JEEE C#CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1358925239 YKUGMODIGCENGM-SFHVURJKSA-N 473.599 2.380 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1cc2ccccc2s1)[C@@H]1CCS(=O)(=O)C1 1358955748 SPIDYZZYMOUZIB-QGZVFWFLSA-N 471.608 2.306 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H](CC)Oc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1358963654 LWQKGHVTHKRFBR-HOJAQTOUSA-N 476.574 2.405 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCc1ccc(N(C)C)cc1)[C@H]1CCS(=O)(=O)C1 1358966969 APEGNTLYIWNEON-LEWJYISDSA-N 457.600 2.065 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC[C@@H](OC)C(F)(F)F 1358972051 RFPXQXNUCZTHQJ-GOSISDBHSA-N 483.516 2.236 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CC[S@@](=O)CC)CC1 1359042066 QHUAVHDNUDKPGC-UMSFTDKQSA-N 479.610 2.070 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2C[C@H](C)CNC(=O)OC(C)(C)C)CC1 1359046332 NSWCARBEOCTNQI-QGZVFWFLSA-N 458.607 2.357 30 10 JEEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1359060287 QJQCAPWZQPLQKM-IIBYNOLFSA-N 461.613 2.020 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1359105215 LQKOJZVLRZBRCG-NFBKMPQASA-N 457.623 2.468 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1359105216 LQKOJZVLRZBRCG-NZQKXSOJSA-N 457.623 2.468 30 10 JEEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@@H](C)c2nccs2)CC1 1359216063 OCLHGDPDCFBQMY-IRXDYDNUSA-N 450.634 2.486 30 10 JEEE C=CCOc1ccc(CC(=O)N2CCC(C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)cc1 1463735958 OZDCUECULDRVKH-UHFFFAOYSA-N 457.552 2.319 30 10 JEEE C=CCCC[C@@H](NS(=O)(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1)C(=O)OC 1475687081 CAIAPPZZNMHRMU-GOSISDBHSA-N 458.602 2.346 30 10 JEEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1Cc1cccnc1OCC(F)F 1492911176 DBSAZHFGJGKLEH-CQSZACIVSA-N 455.473 2.051 30 10 JEEE CCOc1cccc(N2CCN(c3nnc(-c4ccc(C#N)cc4)n3CC(=O)N(C)CC)CC2)n1 1502889962 FTPGVTHLHANSEY-UHFFFAOYSA-N 474.569 2.415 30 10 JEEE CSc1cccc(F)c1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)C#N 1505206891 HDMTYFKAXJPRGN-WMLDXEAASA-N 482.607 2.116 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCc1c(C)cccc1C)[C@@H]1CCS(=O)(=O)C1 1507631717 SDONWZHBBPYVQQ-HXUWFJFHSA-N 452.584 2.165 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCOCCC=C)[C@@H]1CCS(=O)(=O)C1 1507638431 QXEUQYRMJRVLEN-VAMGGRTRSA-N 464.632 2.416 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](OC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1507638550 RZWNFMHAOWSGLF-YSTOQKLRSA-N 466.648 2.494 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1(S(C)(=O)=O)CCCC1 1507709349 TUALOMKOWLJJSG-UHFFFAOYSA-N 474.583 2.160 30 10 JEEE C=CCCOCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1507957511 PFDMZAHWUODTOY-HSZRJFAPSA-N 488.976 2.485 30 10 JEEE C=CCN(c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCc1n[nH]c(C)n1)C1CC1 1507989263 YVLOXGFWQFKPDD-UHFFFAOYSA-N 456.576 2.019 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC(CC(=O)NC)CC1 1508076473 UFINXAJFQFSXID-MRXNPFEDSA-N 458.538 2.212 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H]2COCCO2)C1 1508129465 RECUSVKQTHMWFW-ZSYWTGECSA-N 463.579 2.246 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H](C)CNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1539210640 FJWRJPKJGJBLDD-MJGOQNOKSA-N 488.614 2.128 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1cccc(NC(=O)CC(C)C)c1)[C@@H]1CCS(=O)(=O)C1 1539221879 RWEMCZAOSYKYSB-IFMALSPDSA-N 499.637 2.442 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccccc1CN(C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1539222238 UVMQUWFLBQMCOK-XZOQPEGZSA-N 485.654 2.297 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCN(C)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1539224395 GHVQTGIWCCDJDN-JOCHJYFZSA-N 498.678 2.393 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccc(OC)cc1)N1CCCC1 1539323689 JGDOFEOYHYJQOJ-LADGPHEKSA-N 495.649 2.489 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc(C)o3)n2CC2CCS(=O)(=O)CC2)n1 1539424675 VMNPEEIBPSXJIE-UHFFFAOYSA-N 486.598 2.154 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H](c2ccccc2)N(C)C)CC1 1539430800 OFWWOLFAWPSNEK-JYFHCDHNSA-N 466.630 2.377 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccnc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1539628432 PVFMTEWHSHXYDJ-QUCCMNQESA-N 460.604 2.182 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](CCc2ccccc2)C1 1539706791 TVRDRHZOQWQSFY-NHCUHLMSSA-N 475.615 2.025 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCCN(C(=O)CCc2ccccc2)CC1 1540870821 XTUUVMBWXGKREA-JOCHJYFZSA-N 480.613 2.493 30 10 JEEE C=CCOc1ccccc1Cn1c(CN2CCCC2=O)nnc1N1CCC(CC(N)=O)CC1 1540881188 APZVCNWHDJDOAS-UHFFFAOYSA-N 452.559 2.105 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2ccc(NC(C)=O)cc2)C1 1540881579 NAYGVGIFCPHKTG-NRFANRHFSA-N 452.559 2.497 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CCN(C2CCC2)CC1 1540906752 ACSTXFSPBOIUSH-UHFFFAOYSA-N 459.616 2.441 30 10 JEEE CN(C)C(=O)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CN2CCOCC2)CC1 1552692358 DDNUUXJMURKMKU-UHFFFAOYSA-N 495.628 2.146 30 10 JEEE CC[C@H](C#N)Oc1cc(CNC(=O)N2CCC(N(C)S(=O)(=O)CC)CC2)ccc1OC 1564025023 GBTPECGBKQEHTE-GOSISDBHSA-N 452.577 2.332 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCN(Cc3nc4ccccc4[nH]3)CC2)ccc1F 1566690684 WMQZWZHYMKKIDS-UHFFFAOYSA-N 457.531 2.124 30 10 JEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)NC[C@](C)(O)C(=O)OC(C)(C)C 1567401086 AKQHWLAKHGBXMS-IBGZPJMESA-N 457.321 2.307 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCN1CCCO[C@@H](C)C1 1587580794 SDCMXNHDQQVHSA-UXHICEINSA-N 488.658 2.154 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2ccccc2F)n1Cc1nnc(C)s1)[C@H]1CCS(=O)(=O)C1 1588034537 IGIMPLZEIFJEGG-ZBFHGGJFSA-N 490.586 2.392 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H](CC)Oc1ccccc1F)[C@H]1CCS(=O)(=O)C1 1588049967 ONZOELMREKHGAQ-ZWKOTPCHSA-N 484.557 2.359 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1588162456 TWURHRHUICZCIT-GGAORHGYSA-N 492.605 2.006 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1c(F)cccc1SC 1588646405 JOFXEHKWOOOYRD-HNNXBMFYSA-N 452.577 2.176 30 10 JEEE C=C(Br)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1589317665 SPYWBXYEHGZGRG-HNNXBMFYSA-N 485.364 2.280 30 10 JEEE C=CC1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1594202211 HSVHGCZMQGDIGT-GOSISDBHSA-N 493.655 2.033 30 10 JEEE C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 1594615980 MORPEUBQDUJKFK-RBUKOAKNSA-N 464.636 2.416 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CN2CCCC2=O)n1CC[C@H]1COCCO1 1595100824 UQDWNZDGHNBGQT-NRFANRHFSA-N 450.543 2.270 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2CCCOC2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1595297085 MREKAQVKWXTYJZ-CTNGQTDRSA-N 456.591 2.479 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1COCCO1 1595297649 UPBBYTBEJWIOBN-RTBURBONSA-N 465.595 2.447 30 10 JEEE C=CCOc1ccc(Cn2c(-c3cccn3C)nnc2N2C[C@@H](O)[C@H](CC(=O)OC)C2)cc1 1595607873 KQYAZVVZVCHDML-WIYYLYMNSA-N 451.527 2.257 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 1595759283 DIEUWAFQJHYGHY-GOSISDBHSA-N 477.606 2.423 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1595777460 MZYAACVHXYEWMF-HXUWFJFHSA-N 465.963 2.230 30 10 JEEE C=CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1595837769 CWJORCXFSGBTGH-SFHVURJKSA-N 490.033 2.337 30 10 JEEE COc1ccc(O[C@H](C)Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@H](C#N)C2)cc1 1619301980 FAAGEASIWGOXMB-VQIMIIECSA-N 463.498 2.130 30 10 JEEE C#CCN(CC(=O)NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)CC1CC1 1644962686 LPCYVKMEBPZWDJ-ODLFYWEKSA-N 457.577 2.078 30 10 JEEE C#CCn1ccc(CN(CC)C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2CC)n1 1678995238 LQLSWFPFDFMMGY-UHFFFAOYSA-N 459.572 2.154 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2ccccc2)CCC1 1689852655 IQJBNUGNOUSXOQ-QUCCMNQESA-N 457.600 2.191 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1OCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1689982582 QHRSSYACBINGMH-WBVHZDCISA-N 496.431 2.478 30 10 JEEE C#CCN(c1nnc(CC2CCCC2)n1CCC(=O)N1CCCCCC1)[C@@H]1CCS(=O)(=O)C1 1689994198 TUGVGHTVHUIQOB-OAQYLSRUSA-N 475.659 2.430 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCOCC1CC1 1690020161 ZWHLFCMGDFLQBW-FQEVSTJZSA-N 457.575 2.476 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCn1c(C)nc2ccccc21 1690047736 XTZSTFBHGTWEDF-IBGZPJMESA-N 450.568 2.001 30 10 JEEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@](C)(c2ccccc2)C1 1690301587 WOUZWNGSUOGPQB-GCJKJVERSA-N 463.604 2.233 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCC(F)(F)C2)CC1 1690411184 HEDJUXDTMRUQBI-SJORKVTESA-N 459.563 2.449 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1CC1(S(C)(=O)=O)CCC1 1690560658 XZZZGYXFCILFJC-IBGZPJMESA-N 468.583 2.261 30 10 JEEE C=CCn1c(N2CCC(N(C)S(=O)(=O)CC)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1690653313 LSNKQEOEYJEGJE-CALCHBBNSA-N 482.651 2.485 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(c2cccc(OCC)n2)CC1 1690663058 KTYOHFPNTIAPIF-UHFFFAOYSA-N 477.569 2.376 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1690682530 RDUHKVUGEUXLAY-RTBURBONSA-N 452.559 2.337 30 10 JEEE Cc1nn(C)c(N2CCN(c3nnc(C)n3C[C@H](c3c(F)cccc3F)N(C)C)CC2)c1C#N 1693405678 CNRQHUCXDPKAEK-HXUWFJFHSA-N 469.544 2.408 30 10 JEEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCNS(=O)(=O)Cc2ccon2)C[C@@H](C)S1 1693782176 CFJBUJPYVGRGHW-HZPDHXFCSA-N 487.611 2.255 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1CCCn1cc(CO)nn1 1705479287 GXTNXISAJYRTCK-ZDUSSCGKSA-N 462.327 2.479 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(OC)c(OC(F)F)c1 1705495034 JYTSKYSEJNGUMB-GDBMZVCRSA-N 468.526 2.491 30 10 JEEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 1705516002 RRSQDJUXHUQIBH-RCZSKKKRSA-N 452.607 2.286 30 10 JEEE C#CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CC[C@H](C(F)F)N1CCOCC1 1705549572 ACUZNAQFRCTABJ-QGZVFWFLSA-N 457.485 2.019 30 10 JEEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1705561515 QRKJXUFIAGDDKG-NLWGTHIKSA-N 490.651 2.412 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1CCCC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1705563146 RJHHOIQXBPLWFU-QGZVFWFLSA-N 494.017 2.102 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1Cc1nc(C)cs1)[C@H]1CCS(=O)(=O)C1 1705564256 MYXFKKZGUQDSDX-INIZCTEOSA-N 457.581 2.394 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1CCCN1C[C@H](C)O[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1705570791 QXPUGBIVVYGIEF-AOHZBQACSA-N 499.681 2.303 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CCCN1CCCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1705571064 WKODRMLJNJQKNS-IRLDBZIGSA-N 470.643 2.155 30 10 JEEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2C[C@H](N2CCOCC2)C(F)(F)F)CC1 1705641843 WDEYJNSTWXMRQZ-NRFANRHFSA-N 476.547 2.082 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H](NC(=O)OC(C)(C)C)C(C)C)CC1 1705643984 WSNGGLPFMJPZFH-ACRUOGEOSA-N 490.649 2.307 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2CCc2noc(CC)n2)CC1 1705650972 FIYYNUMBMURSPY-UHFFFAOYSA-N 477.569 2.319 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(OCC(N)=O)CC1 1705694624 DBKGBQLHKBJLKY-SIKLNZKXSA-N 450.543 2.269 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1 1705709175 LUENJZPRXGCELQ-UTSGNWPNSA-N 450.543 2.412 30 10 JEEE C=C(C)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 1705723753 RPNDYALROQRGDH-IBGZPJMESA-N 491.614 2.169 30 10 JEEE C=C(C)COCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(NC(=O)COC)CC1 1705736901 FZCNCFPMPALYEV-OAQYLSRUSA-N 471.558 2.115 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC(C)(C)O 1705864722 KQWAMNUMSSRATR-IBGZPJMESA-N 481.594 2.104 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1705896111 BUQQKGZJZXBNGZ-HNNXBMFYSA-N 495.447 2.230 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1705931176 IBARTOPPZAPJMP-ARFHVFGLSA-N 484.420 2.355 30 10 JEEE CC(C)(C)C(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C2CCOCC2)CC1 1706096212 CXSPIOXHUVWKGQ-UHFFFAOYSA-N 495.628 2.192 30 10 JEEE CC(C)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CCC2)CC1=O 1706505598 HOTMUZDNRQJXTF-UHFFFAOYSA-N 470.599 2.089 30 10 JEEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1722306901 OWRQDKYNFBUYNU-UHFFFAOYSA-N 473.537 2.397 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1CCN(CC)CCC)[C@@H]1CCS(=O)(=O)C1 1722360658 BOLQXHKUAUEDSO-LJQANCHMSA-N 473.599 2.032 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2cccc(F)c2)CC1 1722441576 SUFIESVIKYMVJL-UHFFFAOYSA-N 454.550 2.350 30 10 JEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)NC2CCCCC2)CC1 1722458430 JOCDCZPMTIXHTQ-IBGZPJMESA-N 473.647 2.196 30 10 JEEE C=CC[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(S(C)(=O)=O)CC1)c1ccccc1 1722594661 PNQYDIZDOPOOKU-PMACEKPBSA-N 472.615 2.061 30 10 JEEE C=CCCOCCn1c(-c2ccc(C)o2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1722624096 SJPFRHYQXJVWSN-UHFFFAOYSA-N 451.531 2.260 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCN(C(C)=O)C[C@@H]1C 1722694406 UVAFTFCQHJWVJU-HOTGVXAUSA-N 456.616 2.491 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1722696918 USPXRPZCLFFXBE-KRWDZBQOSA-N 455.950 2.311 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](CC)c2ccccc2)nnc1N1CCC2(CC1)COC(=O)N2 1722723907 IFMQGFJBEWXADE-LJQANCHMSA-N 473.599 2.500 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC(OC[C@H]2CCCCO2)CC1 1722725614 PBFNPXIJCLPFKQ-HXUWFJFHSA-N 475.615 2.495 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H]2CC[C@H]1C2 1722727169 GLCDIKBQOFFWBJ-BZSNNMDCSA-N 481.619 2.176 30 10 JEEE CC(C)OCCn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1723724219 DIGYFDDOYUNURY-UHFFFAOYSA-N 495.628 2.288 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CC(C)(C)C(=O)NC 1727230084 HJJZAVGRSFRRHK-FQEVSTJZSA-N 481.601 2.418 30 10 JEEE CCN1CCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1728575439 IDDABGPTZATMPO-FPOVZHCZSA-N 471.631 2.067 30 10 JEEE C#CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1740589393 XNCJUAISLJJOQY-SFHVURJKSA-N 482.610 2.492 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1740615338 BHBWMABYGLCHSY-IAGOWNOFSA-N 467.636 2.458 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCc1ccc(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1740628779 UCVSQLBCTATCPZ-AZUAARDMSA-N 474.583 2.016 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCn1c(C)nc2ccccc21 1740656189 HYBHISHRCFKEPV-FQEVSTJZSA-N 464.595 2.392 30 10 JEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 1740659144 VBYINBLIQUXTSW-DEOSSOPVSA-N 474.609 2.155 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1740670918 XBHIQTUVAFZMAM-MOPGFXCFSA-N 494.662 2.134 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@H]2CCCCO2)CC1 1740707882 UHPCURDZYLVNJN-JOCHJYFZSA-N 467.570 2.401 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(OC)CCOC1 1740732158 TWXJENODGJODIR-GLYQVZKVSA-N 475.590 2.384 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](C(=O)NC)C1 1740754425 SMEAZTSTXYEEOC-ZJOUEHCJSA-N 487.626 2.292 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCO[C@H](CNC(C)=O)C1 1740754641 UVJGLUPEYZCHJF-YSZBQJHXSA-N 485.585 2.285 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CN(Cc2ccccc2)CCO1 1740774155 NASUKQHZXAWOHO-FCHUYYIVSA-N 473.643 2.484 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCOC2)n1CCS(=O)(=O)N1CCSCC1 1740921026 JGZHENOKJIQRHF-LJQANCHMSA-N 495.646 2.492 30 10 JEEE CCNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cnccn2)CC1 1746479597 DSBCQZNZJWMZQS-UHFFFAOYSA-N 459.558 2.096 30 10 JEEE COc1ccc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@H]2CCN(S(C)(=O)=O)C2)cc1OC 1748636668 BXBOLNGVLZDDPF-SBUREZEXSA-N 488.614 2.374 30 10 JEEE C#CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](OC)[C@H](OC)C1 1748718769 RVRZOQMAVABPQF-GBESFXJTSA-N 463.579 2.240 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@]1(O)CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1748818314 AFUPBZOOQSXEGF-SAHWJRBASA-N 478.565 2.325 30 10 JEEE C#CCN(c1nnc(CCOc2ccccc2)n1C[C@@]1(C)CCCO1)[C@@H]1CCS(=O)(=O)C1 1748820496 CRGNEBVFGNRZAC-AUSIDOKSSA-N 458.584 2.095 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(Br)c2)n1C[C@@H]1CCS(=O)(=O)C1 1748949671 HNKOXCUSMDCCAX-HNNXBMFYSA-N 467.389 2.228 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1COc2ccccc21 1749159848 ZZERCPGGEIKJJD-YLJYHZDGSA-N 461.588 2.190 30 10 JEEE C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC(NC(=O)COC)CC1 1749175182 QUSVIKHSYPEKGA-UHFFFAOYSA-N 451.369 2.354 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2Cc2nnn(C)n2)CC1 1749341325 DZGPUWAMOUHGBM-KRWDZBQOSA-N 457.583 2.367 30 10 JEEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1749433936 ATUUKCUEMYCHAI-KRWDZBQOSA-N 458.588 2.063 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3ccccn3)n2C[C@H](N2CCOCC2)C(F)(F)F)C1 1749703960 SKMBOTRWFLARGB-WMZOPIPTSA-N 452.481 2.385 30 10 JEEE C#C[C@H](C)N(C)c1nnc(Cc2ccc(Cl)cc2)n1CCS(=O)(=O)N1CCSCC1 1760116509 QNLCINYHDWQUOP-INIZCTEOSA-N 468.048 2.359 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(NC(=O)C2CCC2)c1 1760233155 JGMCBLIWQMFKNO-LJQANCHMSA-N 455.584 2.427 30 10 JEEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1conc1COC 1760235765 WOPAWCDGVOEODF-GOSISDBHSA-N 460.535 2.229 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CC(=O)N(c2ccccc2)C1 1760242589 ITQKWSQFMYXVFS-IBGZPJMESA-N 473.537 2.065 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OC)n2CCN2CCCCC2)CC1 1760273401 SDLSKAKKDWBCMM-UHFFFAOYSA-N 480.613 2.317 30 10 JEEE C#CCSCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N(C)CC(=O)N1CCOCC1 1760275101 PVJMOYNEXCLXTC-QGZVFWFLSA-N 461.563 2.219 30 10 JEEE C=CC1CCN(c2nnc(Cc3cn4ccccc4n3)n2CCCNS(=O)(=O)CC)CC1 1760403131 HKJBCEMOJOQYIL-UHFFFAOYSA-N 457.604 2.248 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1760516881 XEDMOCISGFBMKG-SJLPKXTDSA-N 458.538 2.354 30 10 JEEE CN(C)S(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C[C@@H]2CCOC2)C1 1766943749 AQNDXMJIDFIVMI-UXHICEINSA-N 472.615 2.351 30 10 JEEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@](C)(O)c2cccs2)CC1=O 1771135611 CWTUUGCZHQNLPF-QHCPKHFHSA-N 466.567 2.081 30 10 JEEE COCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1cc(OC)c(O)c(OC)c1 1862612875 SCXMMEBHULYAJJ-HXUWFJFHSA-N 471.462 2.405 30 10 JEEE C#CCOc1cn(CCCCN(CC)CC)c(CN2CCN(c3ncccn3)CC2)cc1=O 1870564009 XMRBWFKHWNVHTK-UHFFFAOYSA-N 452.603 2.095 30 10 JEEE NC(=O)CSc1nnc(Cc2ccccc2F)n1/N=C/c1cc2c(cc1[N+](=O)[O-])OCCO2 1874374678 IKEDKVUNJVLTQL-AUEPDCJTSA-N 472.458 2.147 30 10 JEEE CN1CCN(CC#CCOC2CCN(C(=O)CN(C)c3nc4c(F)cccc4s3)CC2)CC1 1890351536 CRIJBEZQWFRYEI-UHFFFAOYSA-N 473.618 2.130 30 10 JEEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)N3CC[C@H](COc4ccc5nncn5n4)C3)n[nH]2)c1C 1890398791 RWCXHDWPMPLMJX-KRWDZBQOSA-N 461.530 2.445 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]([C@H](F)C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 1907373492 AHOJREDWYFHCNA-CFVMTHIKSA-N 450.320 2.356 30 10 JEEE O=C[C@@H]1CCCN1C(=O)c1cc(I)cc(I)c1O 2029141511 AMLBUYCQMXHGID-QMMMGPOBSA-N 471.032 2.405 30 10 JEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@@](C)(CO)NC(=O)OC(C)(C)C 2255829577 RIRGZUMLNJZICC-NRFANRHFSA-N 454.398 2.361 30 10 JEEE CC(C)(C)OC(=O)NC1CN(S(=O)(=O)Cc2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2255933542 PTWOEKQHVYDEIS-UHFFFAOYSA-N 452.382 2.025 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)N(C)Cc1csc(B2OC(C)(C)C(C)(C)O2)c1 2256624670 OOOMFFGQPCHJBW-XJKSGUPXSA-N 454.398 2.280 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](NS(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)CCO1 2267474443 VDFWCPOYKASIBG-OAHLLOKOSA-N 488.437 2.408 30 10 JEEE Cc1cc(C(=O)N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)oc1B1OC(C)(C)C(C)(C)O1 2267521976 SCZNPONMPVLMIH-HNNXBMFYSA-N 450.341 2.253 30 10 JEEE C[C@@H]1CN(S(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2267706183 SMMXAHGQBFFZAE-CQSZACIVSA-N 487.453 2.213 30 10 JEEE CC(C)(C)OC(=O)N1[C@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)CC[C@@H]1C1CC1 2268643850 LZKHDKCXBSERDJ-KGLIPLIRSA-N 464.397 2.376 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)c1csc(NC(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)n1 2281937480 AGVCUHZVYJUYOZ-NSHDSACASA-N 478.384 2.409 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1(C2CN(C(=O)OC(C)(C)C)C2)CC1 2281963268 JTQQOVUSPOZEMU-UHFFFAOYSA-N 460.384 2.332 30 10 JEEE Cn1nc(C(=O)NC2CC3(CCN(C(=O)OC(C)(C)C)C3)C2)cc1B1OC(C)(C)C(C)(C)O1 2281963772 PCYXVDVLCAQXOK-UHFFFAOYSA-N 460.384 2.239 30 10 JEEE Cc1c(C(=O)N2C[C@H]3CC[C@@]3(NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281979478 NTBLBMKWSFOXRD-IQMFZBJNSA-N 460.384 2.157 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H](C)[C@H](CNC(=O)OC(C)(C)C)C1 2282005567 QEMMPVNBLSLJCH-GOEBONIOSA-N 462.400 2.261 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ncc(B3OC(C)(C)C(C)(C)O3)cn1)C2 2282030902 LVOKKWGDOZZGRC-UAGQMJEPSA-N 458.368 2.294 30 10 JEEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCCCC[C@@H](NC(=O)OC(C)(C)C)C1 2282101315 BZAOKEJSGPBRLO-OAHLLOKOSA-N 463.388 2.024 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(C(=O)N2C[C@@H](O)C[C@@H]2CNC(=O)OC(C)(C)C)c1 2282108652 BGWFCMGMERZFRJ-MOPGFXCFSA-N 460.380 2.394 30 10 JEEE CO[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)N(C(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282171254 HVQNGZJXWDFMQR-ROUUACIJSA-N 461.368 2.135 30 10 JEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCC[C@@H](CNC(=O)C(F)(F)F)C1 2282304609 MSMCLHVLHWLEGV-ZDUSSCGKSA-N 496.382 2.435 30 10 JEEE CC(C)(C)OC(=O)NCCC1CC(NS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282354159 NCXMAVFETPSVFD-UHFFFAOYSA-N 481.424 2.353 30 10 JEEE COc1ccc(S(=O)(=O)NCCN(OC)C(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2282503934 HSGCTGLQDQFEBF-UHFFFAOYSA-N 486.396 2.071 30 10 JEEE Cc1nc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H]3COC[C@H]32)c(B2OC(C)(C)C(C)(C)O2)s1 2282520550 RFSXOVQCLXKWJS-CABCVRRESA-N 479.408 2.211 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NCC1(NC(=O)OC(C)(C)C)COC1 2282552232 PFBRTZGOAQTKRG-UHFFFAOYSA-N 462.352 2.018 30 10 JEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CCCN(C(=O)OC(C)(C)C)C2(C)C)n1 2282659616 NRWHAXOSEJAUMK-CQSZACIVSA-N 463.388 2.022 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1C[C@H](NC(=O)OC(C)(C)C)[C@H](OC)C1 2282667251 PMVBLEIINWUJOZ-FUHWJXTLSA-N 463.384 2.171 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1S(=O)(=O)N[C@@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2282845927 AUXSIMYPXJXMSY-IZZQQSIFSA-N 478.420 2.438 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@H]1C[C@H](OCc2ccccc2)C1(C)C 2282847627 BKPJYFBXMMRFMH-OALUTQOASA-N 475.420 2.382 30 10 JEEE COC[C@H](ONC(=O)OC(C)(C)C)C(=O)N1CCc2ccc(B3OC(C)(C)C(C)(C)O3)cc21 2283946759 RFSLTONDARQCPS-SFHVURJKSA-N 462.352 2.346 30 10 JEEE CCO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2283968823 NCHDCHAKPSQPIS-JKSUJKDBSA-N 481.424 2.331 30 10 JEEE CC(C)(C)OC(=O)NCC1(C(=O)NCc2ccccc2B2OC(C)(C)C(C)(C)O2)CC(O)C1 2284036332 QMLZUIVAQZEJTE-UHFFFAOYSA-N 460.380 2.268 30 10 JEEE COC(=O)C1=C(C)NC(=Cc2ccc(CNS(=O)(=O)c3ccc(Br)cc3)o2)C1=O 2297311004 MAFDGXIJCDETFS-UHFFFAOYSA-N 481.324 2.481 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H](C)CN(C)C(=O)OC(C)(C)C)n1C 2337398278 NKRPTLGPZQXNOU-CQSZACIVSA-N 450.389 2.261 30 10 JEEE CC(C)(C)OC(=O)N[C@]1(C(=O)O)CCN(c2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)C1 2345745028 HROVCHOPFVXSDN-OAQYLSRUSA-N 451.304 2.078 30 10 JEEE Cn1cc(C(=O)N[C@@H]2C[C@@H]3C[C@H]2C[C@H]3NC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2359277927 HEEDOEIUMLLYBE-CAOSSQGBSA-N 460.384 2.141 30 10 JEEE CN(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C)[C@@H]1CCC[C@H]1CNC(=O)OC(C)(C)C 2362338557 SCLZKGBDCSPUIM-JKSUJKDBSA-N 462.400 2.485 30 10 JEEE Cc1nn(C(C)C)c(C)c1/C=N/Nc1nnc(SCC(=O)NCCc2ccc(F)cc2)n1N 20911521 MUZXSIPVCWYBJB-OPEKNORGSA-N 473.582 2.422 30 10 JEEE COc1ccc(CNC(=O)CSc2nnc(N/N=C(\C)c3ccc(OC)c(OC)c3)n2N)cc1 21317148 ZZNYPZBVJSJTIM-AFUMVMLFSA-N 485.570 2.262 30 10 JEEE CS(=O)(=O)O[C@H]1O[C@@H](COC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)C1(F)F 34405646 LIAQHZDWFACWFK-FRQCXROJSA-N 456.419 2.405 30 10 JEEE COc1cc(NC(=O)C[C@@H]2N=C(N/C(N)=N/c3cccc(C)c3)N=C2O)cc(OC)c1OC 40376201 LCSOKMGVMCWUEC-HNNXBMFYSA-N 454.487 2.280 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)[C@H](C#N)c3nnc(N4CCOCC4)n3-c3ccccc3)cc2C1=O 614437896 FEJACAIANCFWQR-NRFANRHFSA-N 482.500 2.376 30 10 JEEE C#Cc1cccc(-n2c(=C(C#N)C(=O)c3ccccc3OC)sc(=Cc3cnn(C)c3)c2=O)c1 726581115 LQAMTYKEEGJQMX-UHFFFAOYSA-N 466.522 2.008 30 10 JEEE CC(C)(C)CC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccc(C(N)=O)cc1 729672215 CFCJLZJLPJCWJH-UHFFFAOYSA-N 485.569 2.154 30 10 JEEE CCOc1ccccc1NC(=O)CSc1nnc(NN=Cc2cccc(OC)c2O)n1N 1084042911 QNQXMOMATXRVHO-UHFFFAOYSA-N 457.516 2.282 30 10 JEEE C[C@H](NC(=O)CSc1nnc(NN=Cc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1N)c1ccccc1 1084585240 GMBNABZLKOCGFM-LBPRGKRZSA-N 485.486 2.224 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(NC(=O)c3ccsc3)CC2)s1 1136391002 CWXLBEIYNNXDEF-UHFFFAOYSA-N 453.611 2.237 30 10 JEEE CC#CC[C@@H](CO)NC(=O)[C@@H](CCSC)NS(=O)(=O)c1ccc(Cl)c(Cl)c1 1144923182 OPIXQGCFWRRQDW-BLLLJJGKSA-N 453.413 2.284 30 10 JEEE C=C(Cl)C[C@@H](NC(=O)c1cccc(NC(=O)CSc2nncn2C)c1)C(=O)OCC 1151573570 HQCVLPMAIBBSFF-OAHLLOKOSA-N 451.936 2.350 30 10 JEEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccnn2C2CN(C(=O)OC(C)(C)C)C2)n1 1210264376 IVQDFOQFQKHPGY-UHFFFAOYSA-N 457.535 2.185 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OCC)CCOC3)n2CCN2CCCC2)c1 1286308598 KOIBWOQCYOLAAF-RUZDIDTESA-N 466.586 2.082 30 10 JEEE C#CCN(C)c1nnc(-c2ccc3c(c2)OCO3)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1286371218 IGIWATYMIDQNQR-GOSISDBHSA-N 451.449 2.396 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@](C)(O)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 1286393725 RRWFMJDLVRQCOR-XUZZJYLKSA-N 471.627 2.222 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCN(C)c1ccccc1F)[C@H]1CCS(=O)(=O)C1 1286396829 WQDJPJKYHZYOPI-MOPGFXCFSA-N 475.590 2.074 30 10 JEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1286415067 GWSGHFUUJSKTRB-MBSDFSHPSA-N 453.568 2.071 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC1=CCc2ccc(OC)cc21 1286448193 RCMBHWKLLWSHDJ-QFIPXVFZSA-N 485.610 2.109 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@]2(OCC)CCOC2)n1C[C@]1(O)CCO[C@@H]1C 1286455174 SJJUIUNPHKMDFV-QFWMQHCXSA-N 458.534 2.249 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCS(=O)(=O)Cc2ccccc2)CC1 1286495122 XMKDQWWJRWTMAR-JOCHJYFZSA-N 499.637 2.101 30 10 JEEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](N2CCCC2)C1 1286688710 SNBHOILFOPZDNQ-WOJBJXKFSA-N 466.652 2.032 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCSCC(F)(F)F)C1 1286808749 DVHNQGNLLDDFLR-ZIAGYGMSSA-N 454.540 2.257 30 10 JEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2csc(C)n2)CC1 1286832685 XLWZKZXCSLHRKD-QGZVFWFLSA-N 482.701 2.187 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC1(N(C)C)CCCCC1 1288839327 ADMOLMMUELWFMC-PXNSSMCTSA-N 451.641 2.283 30 10 JEEE CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCc2sc(C)nc2C)CCO1 1299137343 FDAMKZNNFCYOMG-GOSISDBHSA-N 451.556 2.084 30 10 JEEE COc1ccc(Br)c(-c2nnc(N(C)[C@@H](C)CC#N)n2CC(=O)N2CCOCC2)c1 1299966542 HABKJPKMDJMJGP-AWEZNQCLSA-N 477.363 2.313 30 10 JEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1300421758 QRDFIRZGUIBNQV-UHFFFAOYSA-N 480.598 2.117 30 10 JEEE C#CCN(c1nnc([C@@H](C)CC)n1CCc1cnc2c(Cl)cnn2c1)[C@H]1CCS(=O)(=O)C1 1300483368 JPIWZGUOGLHIBF-RDJZCZTQSA-N 476.006 2.357 30 10 JEEE C#CCN(c1nnc(CC)n1Cc1ccc(-n2ccnc2C)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1300498592 LYBJDXWRCGXWDK-GOSISDBHSA-N 456.547 2.149 30 10 JEEE C#CCN(CC#C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@H]1CCN(S(C)(=O)=O)C1 1300513562 YXVYUESDWSIJNI-SFTDATJTSA-N 469.611 2.389 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1nnc(CC)s1 1300579253 OJRXVZVTJYXOIL-UHFFFAOYSA-N 458.551 2.117 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CC2CCN(CC(F)(F)F)CC2)CC1 1300700191 MUQDJVSLWJVOAR-IBGZPJMESA-N 454.541 2.202 30 10 JEEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2CCS(=O)(=O)CC2CC2)CC1 1300708688 XXGZPJRVLDNCSY-UHFFFAOYSA-N 471.627 2.054 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Cl)c3)n2CCN2CCOC[C@H]2C)CC1 1300716827 RYHDCZDYHGIAGG-GOSISDBHSA-N 471.005 2.285 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2CCCS2)CC1 1300718518 QZKFBPONDFOPAL-IBGZPJMESA-N 487.651 2.210 30 10 JEEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(c2ncccn2)CC1 1300751580 LXBVAIGJIGVSMO-UHFFFAOYSA-N 465.583 2.445 30 10 JEEE C#CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@](F)(C#N)C1 1300762070 GXDWGBKKZRMYGI-HRAATJIYSA-N 464.567 2.395 30 10 JEEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1300763909 YDQORMDAJJSHTK-FCHUYYIVSA-N 476.691 2.117 30 10 JEEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCC(Nc2cc(OCC)ncn2)CC1 1300764224 ZTVDMMWABSFXIX-KRWDZBQOSA-N 457.604 2.418 30 10 JEEE C=C(Br)Cn1c(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)nnc1[C@]1(OCC)CCOC1 1300861231 CPXIMMBCVRXDIQ-KEYYUXOJSA-N 465.414 2.097 30 10 JEEE C=C(C)COCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1300980717 LPYITBYNVGCPGP-YKSBVNFPSA-N 477.613 2.398 30 10 JEEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CC1CCN(CC(F)(F)F)CC1)C1CC1 1301313590 CCOJDKFNUSPNFF-AWEZNQCLSA-N 464.558 2.317 30 10 JEEE C=CCNC(=O)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CC[C@H](C)[C@H](C)C1 1301510082 SQUVLAGCFYSXKS-FCHUYYIVSA-N 465.646 2.427 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2Cc2cccnc2OC)c1 1358902584 SPZVPKTVVXIOPV-UHFFFAOYSA-N 456.510 2.187 30 10 JEEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1C[C@H](C)N1CCN(c2ccccc2)CC1 1358982280 QHMSBZYNMHGDJO-DEOSSOPVSA-N 470.625 2.423 30 10 JEEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1CN(CC(C)C)CCO1 1359009684 WFQBIXLHYAVIRB-JOCHJYFZSA-N 466.634 2.268 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@H]2CCCCS2(=O)=O)CC1 1359031478 DCIZLVMHHVBKHQ-OAHLLOKOSA-N 498.472 2.492 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2CCCN(C(C)C)C2)CC1 1359048560 VFLOZEQUFYMKPF-PMVMPFDFSA-N 486.661 2.088 30 10 JEEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1359051295 RVCACDZPBZHWGL-SFHVURJKSA-N 456.572 2.378 30 10 JEEE C#CCSCCn1c(N2CCC(Cn3cncn3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1359061897 OYBFJTQHNHCBKA-QFIPXVFZSA-N 459.620 2.193 30 10 JEEE C=C(C)CN(CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@]1(O)CCOC1 1359115835 OOPTTZDIOPURTM-VWLOTQADSA-N 454.619 2.197 30 10 JEEE C=CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@](C)(C(=O)NC)C1 1359209747 XZXFRVDXFOLLDC-QFIPXVFZSA-N 459.620 2.475 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C(C)(C)O)cc1 1359272168 MOHMVSWDHOBNLG-FQEVSTJZSA-N 475.615 2.065 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1359297149 HFEQAUDFSPTGBT-PMACEKPBSA-N 497.619 2.013 30 10 JEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 1359303858 CUKSOZCDOCQPGS-HXUWFJFHSA-N 451.579 2.097 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1359304599 CKXSMISZSTUPMG-MRXNPFEDSA-N 474.537 2.402 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1359304919 NSGXYUBRWFYUNG-SFHVURJKSA-N 468.537 2.348 30 10 JEEE Cc1cc(C)cc(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@H](C)C#N)c1 1361016672 DYILMKIQHQSXQP-QUCCMNQESA-N 460.604 2.066 30 10 JEEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2cnn(-c3ccccc3S(C)(=O)=O)c2)c1 1465000717 XLBANABLDRVBIN-UHFFFAOYSA-N 457.533 2.325 30 10 JEEE C#CCn1ccc(CN(CC)C(=O)c2cnn3cc(CCNC(=O)OC(C)(C)C)cnc23)n1 1467717354 SSHMKPPZWRTOGM-UHFFFAOYSA-N 451.531 2.289 30 10 JEEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C(F)F)c1 1475359917 KZWFGLVSCQPRNG-MRXNPFEDSA-N 459.515 2.478 30 10 JEEE C#CCCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1507567369 MHZDBEZIAVXGSD-UHFFFAOYSA-N 485.032 2.307 30 10 JEEE C#CCCCCn1c(COc2ccc(OC)cc2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1507570526 FRARCNQXDJRHGA-JOCHJYFZSA-N 480.569 2.436 30 10 JEEE C#CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCCOC)[C@H]1CCS(=O)(=O)C1 1507638915 TZVIWWCBMOAFPD-OTWHNJEPSA-N 495.646 2.102 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC[C@@H]1CCOC1 1507672352 XWIQUVLMUGMXLP-WOJBJXKFSA-N 457.575 2.476 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2cccc(NC(=O)OC)c2)CC1 1507740788 FLXGFDXNMBZMLT-UHFFFAOYSA-N 454.531 2.007 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOCC(F)(F)C(F)F 1507773810 XHEJPTJFXGPKQJ-CXAGYDPISA-N 452.474 2.089 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCC(=O)NC 1507799352 RJLOZGJPEUMSJM-GGPKGHCWSA-N 492.621 2.140 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(C)=O)C[C@H]1C 1507805883 LLIZRUNJORKLFK-BLIXFSHQSA-N 472.615 2.308 30 10 JEEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1508095028 KOMXKCHGMPTEEZ-HXUWFJFHSA-N 452.603 2.055 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(N(CC)CC)nc2)C1 1508122145 CLZRDCLSHWNJKJ-WOJBJXKFSA-N 474.631 2.251 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCS(=O)(=O)CC=C)C1 1508122786 GGQCHCCDFXRRFA-FXAWDEMLSA-N 460.556 2.173 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCCN(C(=O)Cc2cccc(F)c2)CC1 1508146268 WFDJYRVEXPHFJA-UHFFFAOYSA-N 491.633 2.498 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc2c(c1)C(=O)NCC2 1508426421 GBZCDKVQDZDCDZ-HNNXBMFYSA-N 463.567 2.200 30 10 JEEE CC[C@H](C)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2C#N)CC1)OC 1512759792 HDGRMCODXUGUDN-CUWPLCDZSA-N 451.575 2.489 30 10 JEEE CC[C@@H](C)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CCN1CCCS1(=O)=O 1513014794 CYRLWDDGJDNYRI-QGZVFWFLSA-N 475.594 2.164 30 10 JEEE N#Cc1ccc(N2CC[C@H](C(=O)Nc3ccccc3S(=O)(=O)N3CCOCC3)C2)c(F)c1 1524702936 HYWHSCNGUJIIIV-KRWDZBQOSA-N 458.515 2.183 30 10 JEEE C#CCn1ccc(CN(CCOC)C(=O)CCn2cnc3sc4c(c3c2=O)CCCC4)n1 1538916449 BNGUSRPUANYPQN-UHFFFAOYSA-N 453.568 2.232 30 10 JEEE C#CCN(c1nnc([C@@H](C)CC)n1CCNc1nccc(C(F)(F)F)n1)[C@@H]1CCS(=O)(=O)C1 1539201994 DMXJVGZRMAEVLU-LSDHHAIUSA-N 485.536 2.339 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1C[C@H]1CCCN1CCCO)[C@@H]1CCS(=O)(=O)C1 1539211311 HHGBUDFAQYHNDE-NHCUHLMSSA-N 492.045 2.072 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H]1CC[C@@](C)(CC)O1)[C@H]1CCS(=O)(=O)C1 1539224885 JPQBYCUCDHCHND-SXWKCWPCSA-N 457.600 2.238 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@@H]1CCC[C@@H](O)C1)[C@@H]1CCS(=O)(=O)C1 1539226275 WQNLUHZRBRNTBO-HMXCVIKNSA-N 472.611 2.055 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccccc2CN(CC)CC)CC1 1539427719 IFMZZDNZBWCJAQ-UHFFFAOYSA-N 451.619 2.062 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCc2cccc(F)c2)CC1 1539467204 OPVCISRBSAWGEL-UHFFFAOYSA-N 475.528 2.273 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC[C@@H]2CCO[C@H](C)C2)CC1 1539469235 PEESABTWNKIHKJ-FHAGJXEFSA-N 473.618 2.101 30 10 JEEE C=CCOc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCN(C(C)C)CC2)cc1 1540878499 YSBGPOIXWPGXSX-FQEVSTJZSA-N 459.616 2.324 30 10 JEEE COCCNC(=O)[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CCN1C(=O)c1ccccn1 1548372510 JDASJGAEJKSYFD-IBGZPJMESA-N 461.444 2.066 30 10 JEEE COCCOCC(=O)N1CCC([C@@H]2CN(c3ccc(C#N)c(C(F)(F)F)c3)C[C@H]2C(N)=O)CC1 1548397160 ZZPYJCDMCKAGBR-RBUKOAKNSA-N 482.503 2.016 30 10 JEEE CNC(=O)CCn1c(CSc2ccc(C)cc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1554489549 CRPNRAFLHNBXFY-GOSISDBHSA-N 491.625 2.392 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1ccc(N(C)C)nc1 1588078029 AFPDSELHKXNMIL-UHFFFAOYSA-N 461.957 2.444 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCCCCC2)nc1 1588139870 SAJZEZISGOOGLR-OAQYLSRUSA-N 466.611 2.077 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 1588228988 OJNCXSXEQDPDJN-WOJBJXKFSA-N 489.642 2.290 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)c1ccc2c(c1)OCCO2 1588638812 XCBOGUGSZDSJOB-SFHVURJKSA-N 453.543 2.064 30 10 JEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCCN2CCC[C@H](C)C2)CC1 1588865276 RIHRYJWHBYCWGM-NRFANRHFSA-N 452.651 2.407 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@]2(N(C)C)CCSC2)CC1 1588876500 BZRPNYYRPVJGOF-REHUZNOOSA-N 460.692 2.389 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](C2CCCCC2)N(C)C)CC1 1588923832 NJFROIMXICKTTC-JOCHJYFZSA-N 466.634 2.155 30 10 JEEE C#CCSCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1588984398 HFMJRIRHOUFOBR-WMZOPIPTSA-N 498.588 2.456 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCS(=O)(=O)CC1 1589568209 HSYXANQULYYRIP-JXFKEZNVSA-N 450.536 2.212 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@H](N2CCCC2=O)C1 1595477803 ZTVSPDRUWSTXNZ-ROUUACIJSA-N 470.549 2.451 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1595506503 BTOHKWUOFKFJRJ-CJNGLKHVSA-N 491.365 2.111 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 1595523549 YGZRWMCWYGUPQB-KRWDZBQOSA-N 457.579 2.422 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2nc(C(F)(F)F)cs2)C1 1595675029 WQMGBMHGXOBXCT-OLZOCXBDSA-N 494.565 2.388 30 10 JEEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCC[C@@]2(CN(Cc3ccccc3)CCO2)C1 1595766259 MZSKDXYZOKBOFX-HSZRJFAPSA-N 459.616 2.059 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CC[C@](O)(c2ccccc2F)C1 1595811914 GTVQCAXURCLQKX-JOCHJYFZSA-N 491.614 2.472 30 10 JEEE CS(=O)(=O)c1cccc(-c2nnc(N3CCC(C#N)CC3)n2CCNC(=O)c2ccco2)c1 1620149519 ICPMNICTWOJWRE-UHFFFAOYSA-N 468.539 2.112 30 10 JEEE C#CCN(CC(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O)C1CCN(C(=O)OC(C)(C)C)CC1 1644504444 MLSJSNFAWXPHMI-UHFFFAOYSA-N 454.527 2.186 30 10 JEEE C#CCN1CCC[C@@H](NC(=O)c2ccc(OC)c(S(=O)(=O)N(C)Cc3ccccc3)c2)C1 1645270983 UZDICTPWSOHZPF-OAQYLSRUSA-N 455.580 2.343 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C 1689853474 UGHKMKKIQGEXGQ-ZSYWTGECSA-N 481.663 2.299 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@]1(N(C)C)CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1689993040 UQQQMTNWTSWHJV-KJWPAHLWSA-N 484.670 2.401 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1CC1(C(=O)N(C)C)CCCC1)[C@@H]1CCS(=O)(=O)C1 1689994375 WXWAYFNGHUWCNL-JOCHJYFZSA-N 497.665 2.339 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CCCN(C)CC(F)(F)F 1690044105 ZPZMJFBXLJWPGG-UHFFFAOYSA-N 450.465 2.353 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCCc3ccccc3)n2C[C@]2(C)COCCO2)CC1 1690150371 FEBCIMCFPSWWIY-AREMUKBSSA-N 465.598 2.225 30 10 JEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2ccc(OCC)cc2C1 1690155968 QOXGXUQUAUDYBX-MRXNPFEDSA-N 463.629 2.216 30 10 JEEE C#CCSCCn1c(-c2ccccc2Br)nnc1N1CCO[C@@H](CNC(C)=O)C1 1690165570 CANPRMFTJYDRSI-INIZCTEOSA-N 478.416 2.415 30 10 JEEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1690165968 PDZXWIREUFMPMQ-WMZHIEFXSA-N 477.638 2.172 30 10 JEEE C=C(Br)Cn1c(N2CC(=O)N[C@@H]3CCCC[C@@H]32)nnc1[C@@]1(OCC)CCOC1 1690233298 CBOHEGZBIGCRIX-ZRGWGRIASA-N 454.369 2.086 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(F)cc2)CC1 1690236433 MNNIBTAPTHSYHQ-UEXGIBASSA-N 492.621 2.335 30 10 JEEE C=CC[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](C(=O)NC)C1)c1ccccc1 1690442459 TUQFIBWAVXNZNP-WOJBJXKFSA-N 475.553 2.237 30 10 JEEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1690451821 QNAALHSNODOTLO-HXUWFJFHSA-N 452.607 2.498 30 10 JEEE C=CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(C(=O)NCC)CC1 1690481344 BOVZQUNDKHAFOG-UHFFFAOYSA-N 464.574 2.493 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1nc2ccccc2s1 1690658969 FTOPGISOKFTUHG-UHFFFAOYSA-N 462.539 2.474 30 10 JEEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]2[C@@H](CCCN2C2CC2)C1 1690733516 GUASYTFYCJFGKG-LNLFQRSKSA-N 468.693 2.261 30 10 JEEE Cc1ccc(C(=O)NCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@@](C)(C#N)C2)cc1F 1693012786 FBOCHQWGVZWCHZ-JPYJTQIMSA-N 488.589 2.188 30 10 JEEE CCN1CCN(C[C@H](C)Cn2c(C(C)C)nnc2N2CCN(c3ccc(C#N)cn3)CC2)CC1 1695893531 FDSGXNZDYHAVCI-NRFANRHFSA-N 465.650 2.268 30 10 JEEE CN(CCn1c(COc2ccc(C#N)cc2)nnc1N(C)CCN1CCOCC1)C(=O)OC(C)(C)C 1696818554 CUNRZULSTIJFFR-UHFFFAOYSA-N 499.616 2.364 30 10 JEEE C#CCCCCn1c(Cc2csc(C)n2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1705519517 NLMBPVHFJZPRMU-UHFFFAOYSA-N 482.614 2.494 30 10 JEEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCN(CC(F)(F)F)C1 1705544863 GOVKFVVEKJYROY-HNNXBMFYSA-N 455.506 2.302 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1CCCN1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1705564698 PFYDURAKBJKXLB-FQEVSTJZSA-N 458.632 2.032 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1oc(CCC)nc1C)[C@@H]1CCS(=O)(=O)C1 1705568959 BDFQKHBIKHCWAQ-LJQANCHMSA-N 468.583 2.188 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H](c1cccc(F)c1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1705570405 MXLMNIUANKQAIJ-PKTZIBPZSA-N 496.612 2.333 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1705586050 SJMFJKJOXPURFF-FQEVSTJZSA-N 462.554 2.216 30 10 JEEE C#CCN(CCOC)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@]1(O)CCS(=O)(=O)C1 1705622366 GPBWGJWJAACXHE-OAQYLSRUSA-N 495.026 2.449 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCc2ccn(C)n2)CC1 1705644642 YBSUAWFFSZIUJD-UHFFFAOYSA-N 488.596 2.089 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@@]2(O)CCSC2)CC1 1705645002 IGZHOOZVTQYJFG-OSPHWJPCSA-N 487.601 2.391 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H]2CCSC2(C)C)CC1 1705645509 WBYMWNVQTPFJPA-DVECYGJZSA-N 475.659 2.428 30 10 JEEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1705685523 BQNROZXGYRXWDK-GOSISDBHSA-N 480.455 2.133 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(OC)cc2)nnc1N(C)CC(=O)N1CCOCC1 1705709043 KFUJSMORJGDDQA-DVECYGJZSA-N 485.585 2.142 30 10 JEEE C=C(Cl)Cn1c(N2CCN(c3c(C#N)c(C)nn3C)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1705760101 AFMMPSILKNXXEG-JOCHJYFZSA-N 474.997 2.311 30 10 JEEE C=CCC(C)(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN2C(=O)NC[C@H]2C1 1705788751 LWXMOUICZFXDPY-KRWDZBQOSA-N 458.588 2.165 30 10 JEEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H](C(C)C)N1CCOCC1 1705837161 RVAXCUYSUKZMBX-NRFANRHFSA-N 476.647 2.174 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1705864372 ZNRHWAODVCOPBW-FCHUYYIVSA-N 496.655 2.122 30 10 JEEE C=CCNC(=O)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCN(C(C)=O)CC1 1705895622 MVSJXQUUDSCDQY-UHFFFAOYSA-N 465.583 2.348 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC([C@H]3CC3(F)F)CC2)nnc1[C@]1(OC(C)C)CCOC1 1705908707 UJDORFBSPNFUMF-UTKZUKDTSA-N 453.534 2.493 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CC)Cc1ccccc1C 1705936092 JTTUMUBTDVCDKM-LJQANCHMSA-N 466.629 2.116 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H](C(C)C)N1CCOCC1 1722281840 WAXAQIMWCQTMLI-QUCCMNQESA-N 487.674 2.361 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1Cc1cccnc1OCC)[C@@H]1CCS(=O)(=O)C1 1722359697 PPQUJBJVBSQPNL-OAQYLSRUSA-N 476.562 2.285 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@@H](C)N1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1722364639 ISUFOLWRTIMIMR-WIYYLYMNSA-N 490.699 2.381 30 10 JEEE C#CCN(c1nnc(CSc2ccc(C)cc2)n1CC(=O)NCCC)[C@@H]1CCS(=O)(=O)C1 1722370547 OPVVXMZGXPVVCD-GOSISDBHSA-N 475.640 2.032 30 10 JEEE C#CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CCN(C)C(=O)[C@H]1C 1722453270 XEYBLRJRAQHYEK-CYBMUJFWSA-N 451.394 2.079 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1722535979 BAMCQRIUMVFEAB-QRVBRYPASA-N 495.646 2.076 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCSCc1ccccc1 1722639563 APVBPMLDESOPKN-SFHVURJKSA-N 451.618 2.167 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1722689688 XCIZOJPMSIOWRN-KRWDZBQOSA-N 489.418 2.168 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CCN(CC(F)F)CC1 1722697261 YOVXACMOWZBXBM-UHFFFAOYSA-N 469.334 2.397 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1722697645 NPJKZXYJUXRLIE-XLIONFOSSA-N 479.585 2.399 30 10 JEEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1722738308 FWMINURCNGQSQJ-HXUWFJFHSA-N 477.656 2.353 30 10 JEEE C=CCSCCn1c(N2CCN(C3CCOCC3)CC2)nnc1[C@]1(OCC)CCOC1 1722739665 KCRRECMJBAQFFK-QFIPXVFZSA-N 451.637 2.150 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCN1CCC[C@@H]1C 1727222167 CLFBCJZFTBSAOQ-IBGZPJMESA-N 479.633 2.274 30 10 JEEE CC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)(=O)CC1)NC(=O)OC(C)(C)C 1727251591 AADITASCLCUXOM-SFHVURJKSA-N 474.587 2.355 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2CCc2ccn(C)n2)c1 1740564434 MSWXAODJJBVQKQ-UHFFFAOYSA-N 454.538 2.296 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1CC[C@@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1740618894 CXNIYKXJAHMDAZ-QZTJIDSGSA-N 495.001 2.039 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1CC(C)(C)COCC)[C@H]1CCS(=O)(=O)C1 1740621035 SPOXBVKXDPWTQR-SFHVURJKSA-N 474.583 2.363 30 10 JEEE C#CCN(c1nnc(CC)n1Cc1cccc(C(=O)N[C@H](C)CC)c1)[C@@H]1CCS(=O)(=O)C1 1740624322 FIUHIWHOSSBJQK-YLJYHZDGSA-N 457.600 2.044 30 10 JEEE C#CCN1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CCS(=O)(=O)CC)CC1 1740700319 OGLIRYTVWLLKMV-UHFFFAOYSA-N 468.048 2.414 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2CC2(N(C)C)CCOCC2)CC1 1740704679 WCDYPKZMADWRDJ-UHFFFAOYSA-N 468.577 2.161 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCN1CCCS1(=O)=O 1740722813 FNHJWKZPOBLHGI-HSZRJFAPSA-N 470.599 2.175 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cnn(-c2ccccc2)c1 1740774527 UQYADAMWSRSSAB-JOCHJYFZSA-N 499.641 2.442 30 10 JEEE C=C(C)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1740785594 ORYOOUVNDZVHCI-UHFFFAOYSA-N 451.506 2.393 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2ccc(F)cc2)C1 1740794976 LSMXJTQKAKSUIO-QUCCMNQESA-N 464.563 2.490 30 10 JEEE C=CCN(CCOC)c1nnc(-c2cccc(Cl)c2)n1CC1(O)CCS(=O)(=O)CC1 1740938284 DFNQHYLLQMXNQS-UHFFFAOYSA-N 454.980 2.177 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCc2c(ccnc2O)C1 1740952540 HSXIKEVYGQXQLC-UHFFFAOYSA-N 472.347 2.012 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1740963668 SXPHONYEBFGMKO-INIZCTEOSA-N 477.491 2.104 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C(N)=O)C1 1741213670 FFWAOUDUQBOUDM-RBUKOAKNSA-N 495.584 2.440 30 10 JEEE CCCCN(C)C(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N(C)C)CC1 1745399319 GSDDNDJARIQPJH-UHFFFAOYSA-N 451.575 2.380 30 10 JEEE C#CCCCCn1c(-c2ccc(Br)cc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1748702807 QQHOAGTWRWNIAQ-UHFFFAOYSA-N 499.413 2.438 30 10 JEEE C#CCN(c1nnc(COc2ccccc2CC)n1CC1(C)COC1)[C@@H]1CCS(=O)(=O)C1 1748824249 MLNNCGNFCOTWDU-LJQANCHMSA-N 458.584 2.083 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCOC3)n2CC2(O)CCCCCC2)n1 1748971057 BRLVXNCVXWAITK-FQEVSTJZSA-N 456.591 2.350 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccn2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1749126344 BDZLQYRBUROSAU-GGPKGHCWSA-N 460.604 2.087 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1749135878 JCHFCTDMGZXJKO-ISQLDUATSA-N 481.553 2.070 30 10 JEEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1749199134 DWAQNABFABUWMV-UHFFFAOYSA-N 466.633 2.096 30 10 JEEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCN1CCN(CC)CC1 1749493602 HSEHIVBJPNUBHM-FQEVSTJZSA-N 477.654 2.236 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@H](OCCOC)C1 1749660473 QBDFZSRXQCLDHG-IBGZPJMESA-N 450.543 2.427 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 1749666123 HRUDCPKXOUEZQG-GIVPXCGWSA-N 465.602 2.021 30 10 JEEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)COc2ccc(F)cc2)CC1 1749670515 UTZWEYHXMMCNKF-UHFFFAOYSA-N 472.565 2.036 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1749672187 RWMMYMDQQUWINA-UHFFFAOYSA-N 468.493 2.256 30 10 JEEE Cc1cc(C)n(CCCn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)n1 1751859554 DNAHBDBATHVGFE-HXUWFJFHSA-N 483.598 2.256 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCCN1c1cnn(C)c1 1760103008 WTIQEELBLBCNTM-PKOBYXMFSA-N 467.599 2.209 30 10 JEEE C#CCSCCn1c(COc2cccc(C)c2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1760284017 DOVGGCWZTORXKC-UHFFFAOYSA-N 465.583 2.119 30 10 JEEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(Cc1ccc(-n2cncn2)cc1)C1CC1 1760341668 OVVQYLQNHSXNRK-INIZCTEOSA-N 456.576 2.214 30 10 JEEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](CC(C)C)N(C)C)C1 1765671676 HNWJHXLGZHCPHA-NHCUHLMSSA-N 473.647 2.311 30 10 JEEE CCN(CC)[C@@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1766586185 CCDWONWJGIHFJP-SFHVURJKSA-N 459.620 2.019 30 10 JEEE COC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)NC(C)(C)C)C1 1767879054 GMKXFLUQCQIXQZ-GOSISDBHSA-N 468.558 2.423 30 10 JEEE COc1cccc(Cl)c1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@](F)(C#N)C1 1768840434 HDPOHDJWTRPEQD-SGTLLEGYSA-N 456.931 2.041 30 10 JEEE CO[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1769564764 ICLVBINSOCAJBF-QGZVFWFLSA-N 462.558 2.232 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@H](CC(N)=O)C1 1772659989 DGOYUBBOOLXMJA-OAHLLOKOSA-N 482.006 2.300 30 10 JEEE CN(c1ccc(NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)cn1)S(=O)(=O)c1ccccc1C#N 1858270933 NRVWOPBBHFFLEJ-UHFFFAOYSA-N 499.530 2.024 30 10 JEEE COc1cc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2CCCNC=O)cc(OC)c1OC 1862742177 JCFHUWFDIZGRPC-HXUWFJFHSA-N 499.476 2.335 30 10 JEEE COCCn1cc(OCC(=O)Nc2sc3c(c2C#N)CCC3)c(=O)cc1CSCCO 1870223875 QBLCDWMCUJVEAH-UHFFFAOYSA-N 463.581 2.160 30 10 JEEE C=CCn1cc(OCC(=O)Nc2ccc(Br)c(C)c2)c(=O)cc1CN1CC(O)C1 1870638180 DYCBAWDHLPVNMG-UHFFFAOYSA-N 462.344 2.299 30 10 JEEE CCCCCCCCN=c1nc(N(CCO)CCO)[nH]c(=Nc2cccc([N+](=O)[O-])c2C)[nH]1 1871645191 HEKWGFIAPUOPCV-UHFFFAOYSA-N 461.567 2.239 30 10 JEEE CCOc1c(/C=N/Nc2cnn([C@H]3CCS(=O)(=O)C3)c(=O)c2Br)cccc1OC 1873527104 LVWLIVGCWQGCCN-QOJWJBQSSA-N 485.360 2.219 30 10 JEEE CCCN(CCC)C(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1ccccc1[N+](=O)[O-] 1874434617 OASSEXYJRYKOKJ-WSDLNYQXSA-N 461.548 2.445 30 10 JEEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)N3CCN(c4cc(N5CCOCC5)cnn4)CC3)n[nH]2)c1C 1890190185 VGFOSPGOLXFMEA-UHFFFAOYSA-N 491.600 2.055 30 10 JEEE CN(C)CC#CCNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 1890621461 QWRVZEKPAQTJSG-INIZCTEOSA-N 451.898 2.193 30 10 JEEE C=C(Br)CS(=O)(=O)NCc1nn(C)c(Cl)c1I 2006030269 MLVFKOAPIOKUQE-UHFFFAOYSA-N 454.515 2.006 30 10 JEEE CN[C@](C#N)(Cn1cnc(I)c1I)C1(Cl)CC1 2025831667 ITHLJBAFAMAGBX-SNVBAGLBSA-N 476.487 2.345 30 10 JEEE CN(C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CC[C@H]1NC(=O)OCc1ccccc1 2247804892 NBFYGZULDMLBKU-QZTJIDSGSA-N 454.336 2.238 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CO)CNC(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1Cl 2255541716 GXVCQHYWNDXUKY-CYBMUJFWSA-N 454.760 2.255 30 10 JEEE Cc1sc(C(=O)N(CCO)CCNC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2255842012 LSCXLEPANCJVBV-UHFFFAOYSA-N 454.398 2.315 30 10 JEEE Cc1c(B2OC(C)(C)C(C)(C)O2)csc1C(=O)N1C[C@@H](O)C[C@H](NC(=O)OC(C)(C)C)C1 2267105685 PIWRUEKMFLEORM-GJZGRUSLSA-N 466.409 2.456 30 10 JEEE C[C@H]1CN(S(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CCN1C(=O)OC(C)(C)C 2267377884 LWFXKWCGDBAMQF-HNNXBMFYSA-N 467.397 2.011 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCCN(S(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2267474657 YNXIPXKBBHOWSD-AWEZNQCLSA-N 487.453 2.261 30 10 JEEE Cc1nn(C)c(C(=O)N(CCNC(=O)OC(C)(C)C)C(C)C)c1B1OC(C)(C)C(C)(C)O1 2267513596 PMWRKDHYAKJYAT-UHFFFAOYSA-N 450.389 2.403 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](NS(=O)(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)CCO1 2267718383 SNFFHUJEYZEUJS-INIZCTEOSA-N 468.381 2.205 30 10 JEEE CC(C)(C)OC(=O)N[C@@]1(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)CCOC1 2268631505 ZBZILBWLHMRVKN-NRFANRHFSA-N 451.304 2.142 30 10 JEEE C[C@@H](NC(=O)[C@@H](O)C(C)(C)NC(=O)OC(C)(C)C)c1nscc1B1OC(C)(C)C(C)(C)O1 2268686665 FUFGLASFARCWCP-IUODEOHRSA-N 469.413 2.284 30 10 JEEE CN(C[C@@H](O)CN(C)C(=O)c1c(F)cccc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2281771498 CMWJYQVNUMTCJY-HNNXBMFYSA-N 466.359 2.425 30 10 JEEE CC(C)(C)OC(=O)NC[C@@]12CCC[C@H]1CN(C(=O)c1cc(B3OC(C)(C)C(C)(C)O3)n[nH]1)C2 2281982505 NKVMVYQPZQDICP-NPMXOYFQSA-N 460.384 2.476 30 10 JEEE CC(C)(C)OC(=O)N1CCCC[C@H]2[C@H]1[C@@H]2NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2282031921 ZDRNGMILTARRIT-ZACQAIPSSA-N 458.368 2.294 30 10 JEEE C[C@H](NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 2282042766 FIBCYEZRVRFAKL-HOTGVXAUSA-N 462.400 2.485 30 10 JEEE C[C@H]1CN(C(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)C[C@@H](C)CN1C(=O)OC(C)(C)C 2282066552 KAAQVOUZZQCMST-CVEARBPZSA-N 462.400 2.437 30 10 JEEE CN(C)C(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2282321933 DIXKHGSUWDCRBP-UHFFFAOYSA-N 476.379 2.404 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@](O)(CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2282409098 IIZNXAZXBGCWKQ-HSZRJFAPSA-N 464.343 2.227 30 10 JEEE CS[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 2282582484 XEEPMKRNFGRFJC-GJZGRUSLSA-N 480.440 2.108 30 10 JEEE Cc1ccc(C(=O)NC2(CCO)CN(C(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2282691737 OCDWAOYEZOJOPN-UHFFFAOYSA-N 460.380 2.396 30 10 JEEE C[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(O)cc1O 2282968457 UDVXPAMPMANMMR-AWEZNQCLSA-N 462.352 2.478 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2CCO[C@@]2(C(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)C1 2283959314 KXFRBSFTAJLBMF-CMJOXMDJSA-N 459.352 2.345 30 10 JEEE CC(C)(C)OC(=O)NCc1cn(CC(=O)Nc2ccccc2B2OC(C)(C)C(C)(C)O2)nn1 2283974644 ZIYQIOJHNAZIIV-UHFFFAOYSA-N 457.340 2.241 30 10 JEEE COc1ccc(OC)c([C@H]2C(=C(O)c3ccc(C)o3)C(=O)C(=O)N2CCN2CCOCC2)c1 2296091253 HHDORSPJXPBZFC-NRFANRHFSA-N 456.495 2.359 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC2(CC1)CN(C(=O)OC(C)(C)C)C2 2362353009 UFCNNULNWDLCJT-UHFFFAOYSA-N 460.384 2.192 30 10 JEEE CC(C)(C)OC(=O)NC[C@]12C[C@H](CCN1C(=O)c1ncc(B3OC(C)(C)C(C)(C)O3)cn1)C2 2366381747 IQIXUHGQDKVSJD-GUJKFWMDSA-N 458.368 2.295 30 10 JEEE NS(=O)(=O)c1ccc(NC(=O)CCSc2n[nH]c(N/N=C/c3cc(Cl)ccc3O)n2)cc1 20834789 WPOICRPSJBTSIH-UFFVCSGVSA-N 495.974 2.378 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)[C@H](CC)n2c(N)nnc2SCC(=O)OCC)nc1C 32535786 LJQBLKMMLUWVHK-NSHDSACASA-N 468.561 2.213 30 10 JEEE COc1cc(NC(=O)CSc2n[nH]c(N/N=C/c3ccc(O)cc3O)n2)cc(OC)c1OC 58994189 QNOQTCZGTOGYBS-ZVBGSRNCSA-N 474.499 2.419 30 10 JEEE COCCn1cc(/C=N/Nc2nnc(SCC(=O)Nc3cc(Cl)ccc3Cl)n2N)cn1 59913994 BIQYYEQHCGEBLX-QPSGOUHRSA-N 484.373 2.318 30 10 JEEE Cc1nc(C)c(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc([N+](=O)[O-])cc2)s1 102484959 CRGVOEJXYIMQQG-LYHOESIGSA-N 472.523 2.422 30 10 JEEE CC(=NNC(N)=S)c1cc(I)c(O)c(I)c1 254289437 DQOUYKMWGFTDTQ-UHFFFAOYSA-N 461.066 2.159 30 10 JEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)cc(Cl)c2OC)c(=O)n1C[C@@H]1CCCO1 521502202 XNWDYZVTJPDDLL-HNNXBMFYSA-N 494.400 2.209 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)C[S@@](=O)CC(=O)Nc3cc(C)ccc3OC)cc21 586348546 NLRPERKMQFUREX-JGCGQSQUSA-N 456.520 2.485 30 10 JEEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c1ccc(C)c(C)c1 912374580 BTSZCRDHHJXAHQ-GOSISDBHSA-N 473.551 2.469 30 10 JEEE CCOc1ccc(NC(=O)CSc2nnc(NN=Cc3ccc([N+](=O)[O-])cc3)n2N)cc1 1084101161 VFQCHVUGGKZXBX-UHFFFAOYSA-N 456.488 2.476 30 10 JEEE COc1cc(NC(=O)CSc2nnc(NN=C(C)c3ccc4c(c3)OCO4)n2N)cc(OC)c1 1084560645 GZBHBRQGHVQKHG-UHFFFAOYSA-N 485.526 2.305 30 10 JEEE C=C(Cl)CSc1nc(C)c(CC(=O)N2Cc3nnc(C)n3C[C@H]2C(=O)N(C)C)s1 1180357322 XLTQKXVTZGFRFW-ZDUSSCGKSA-N 455.009 2.238 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1286298095 FMRLEIPNFDEXFA-RXVVDRJESA-N 490.587 2.393 30 10 JEEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1C[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 1286302138 KGHHNRVMCROUJS-CADBVGFASA-N 456.591 2.361 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1CC1(CCOC)CCCC1)[C@H]1CCS(=O)(=O)C1 1286393660 MAVHMGDBZAHDFH-OALUTQOASA-N 450.605 2.006 30 10 JEEE C#CCN(c1nnc(COc2ccccc2OCC)n1Cc1ccc(F)cn1)[C@H]1CCS(=O)(=O)C1 1286397043 RFYFQZWUYOOJDZ-FQEVSTJZSA-N 499.568 2.465 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1cccc(C(=O)N[C@@H](C)CC)c1)[C@H]1CCS(=O)(=O)C1 1286398833 QODAFPKFILGZBO-YUXAGFNASA-N 499.637 2.333 30 10 JEEE C#CCN(CC)c1nnc(-c2ccc(Br)s2)n1CCCn1cc(CO)nn1 1286438843 HFDNTNNKTTYEQJ-UHFFFAOYSA-N 450.366 2.403 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)CCNC(=O)C(C)C 1286552387 QHQRECQGDUCLAE-FPOVZHCZSA-N 479.589 2.110 30 10 JEEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 1286611423 KCFZQPWZTMAHLA-AZUAARDMSA-N 467.636 2.206 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCS[C@@H](C(C)C)C1 1286782151 LXKYXXHCFCYSCG-GOSISDBHSA-N 463.629 2.229 30 10 JEEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 1286789748 KJCUZXAKJKXQMQ-FQEVSTJZSA-N 478.663 2.144 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(c3ccccn3)CC2)cc1 1286794732 PGEGPSHCOMEGGJ-LJQANCHMSA-N 497.625 2.223 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2cccc(C(=O)NC)c2)C1 1286813507 WDRXXGMTFNXWPF-LJQANCHMSA-N 480.594 2.459 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC2(CC1)COC(=O)N2 1286815536 WSAANHCXEYMLRT-UHFFFAOYSA-N 497.524 2.226 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCSC2(CCOCC2)C1 1286823644 WYMUGMHOWXCALM-UHFFFAOYSA-N 483.685 2.337 30 10 JEEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCOc1ncccc1F 1288724875 FFVMGHYZEFFKGT-OAHLLOKOSA-N 458.519 2.299 30 10 JEEE Cc1noc(C)c1CN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1290930745 BBBPJSWMXACHRL-LJQANCHMSA-N 499.597 2.252 30 10 JEEE CC(C)C[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCc1ccccc1 1293579905 HAFPNHKFJNGFIC-UWJYYQICSA-N 457.552 2.499 30 10 JEEE CNC(=O)[C@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)CN2CCCC2)C1 1299032492 HFRABELMESLNMR-UQBPGWFLSA-N 465.602 2.423 30 10 JEEE COc1ccc(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)cc1OC(F)F 1300150363 HFEVBIOTZOUAGT-YCRPNKLZSA-N 499.515 2.475 30 10 JEEE C#CCCCCn1c(Cc2ccncc2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1300367829 JZJWXIMRZPCYRV-DEOSSOPVSA-N 457.582 2.416 30 10 JEEE C#CCN(c1nnc(C2CCC2)n1C[C@H](C)CNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1300490990 DEBSFFQAGIAOOL-SJLPKXTDSA-N 465.620 2.333 30 10 JEEE C#CCN(c1nnc(CCOc2ccccc2)n1CC1(N(C)C)CCCC1)[C@H]1CCS(=O)(=O)C1 1300502846 YNJYQBOOHBXZNS-NRFANRHFSA-N 485.654 2.401 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 1300651009 YRQPMEBCYOCXEA-GOSISDBHSA-N 462.595 2.149 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(Br)s2)n1C[C@@]1(C)CN(C)C1=O 1300656184 AUDQROMRKYRABF-GOSISDBHSA-N 452.378 2.333 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCc2ccc(F)c(F)c2F)CC1 1300685354 LSNQUORCXGTTGJ-QHCPKHFHSA-N 463.504 2.345 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2CCc2ccc(OCCN(C)C)cc2)CC1 1300710841 NISDDSZCCOVYSB-HSZRJFAPSA-N 452.603 2.068 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2C[C@H]2C[C@H](C)O[C@H](C)C2)CC1 1300716795 RDNPFQQLPBRHHW-YRPNKDGESA-N 461.607 2.172 30 10 JEEE C=C(C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1300964080 NNOGEMVWJBKNIR-UHFFFAOYSA-N 454.575 2.223 30 10 JEEE C=CCCOCCn1c(Cc2ccccc2F)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1301259480 JKTBHDUZVXJYOV-UHFFFAOYSA-N 453.522 2.187 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(CCOC2)C1 1301530315 RWOPFHIFTBAZPW-HTAPYJJXSA-N 461.588 2.118 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1Cc1ccco1 1303838134 DYSSPATUZOXMFO-MRXNPFEDSA-N 470.555 2.449 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CCCNC(=O)C(C)C)[C@H]1CCS(=O)(=O)C1 1358957842 BFGIXRWYOYTGKY-IBGZPJMESA-N 478.018 2.388 30 10 JEEE C#CCN(c1nnc(-c2ccc(Br)s2)n1C[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1358958538 QLEMULAULUNFBN-UONOGXRCSA-N 485.429 2.432 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1CCc1ccc(F)c(F)c1)[C@H]1CCS(=O)(=O)C1 1358960321 BPNGISJBBCAYQA-SFHVURJKSA-N 457.506 2.488 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1CCCCN1CCCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1358961163 SJZAKBRHGGGCLE-WOJBJXKFSA-N 471.631 2.016 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CCCN1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1358964641 CRKUJDKNVOXQMS-QFIPXVFZSA-N 470.643 2.013 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1CCN1CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1358966895 ZDEIZDWTZXFIBI-GGAORHGYSA-N 469.655 2.422 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CCCCC3)n1CCS(=O)(=O)N(C)C 1359020184 UOHIODZVGBHYDQ-UHFFFAOYSA-N 465.645 2.253 30 10 JEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(C[S@](C)=O)cc1 1359023147 BFIOVMXPMVCOMV-XIFFEERXSA-N 469.567 2.019 30 10 JEEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@H](C(=O)NCCC)C1 1359054668 COGUALRMJCDPAC-SFHVURJKSA-N 493.637 2.301 30 10 JEEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1359077494 DAXZCTPILWOBHT-GJZGRUSLSA-N 456.385 2.406 30 10 JEEE C=CCCOCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCN(C)C(=O)[C@@H]1C 1359225683 HTDWHRZQKODZKH-SFHVURJKSA-N 479.585 2.496 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCS(=O)(=O)CC 1359271759 CSZLBPSDQPRKBR-QGZVFWFLSA-N 469.608 2.200 30 10 JEEE C=CCn1c(CC2CC2)nnc1N1C[C@H](NC(=O)OC(C)(C)C)C2(CCS(=O)(=O)CC2)C1 1359288513 JELYZLFEQWNDQA-KRWDZBQOSA-N 465.620 2.325 30 10 JEEE C=CCn1c(N2CCN(c3nc(C)cc(OCC)n3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1359290557 GXCDWFDVSQPZAE-HSZRJFAPSA-N 457.579 2.328 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@](C)(O)C2CC2)C1 1359314888 JNXFUXUXWUEHDE-WMZHIEFXSA-N 475.615 2.138 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCN(c2cccc(C)c2C)CC1 1359331264 SOZRAJBKIFPZAG-UHFFFAOYSA-N 469.615 2.223 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1359332140 QDCOPDQIOLIHEG-IBGZPJMESA-N 451.637 2.085 30 10 JEEE C#CCN(CC(=O)N1CCC(C(=O)NCCN(C(C)C)C(C)C)CC1)C(=O)OC(C)(C)C 1452163143 KPCSHJJZFGMHRO-UHFFFAOYSA-N 450.624 2.330 30 10 JEEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)c1ccc2c(c1)S(=O)(=O)N(C(C)C)C2=O 1458680707 FPXMQXZPVFVRCT-UHFFFAOYSA-N 450.480 2.253 30 10 JEEE CCC(CC)(Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C#N)C1)NC(=O)OC(C)(C)C 1496505608 BNXQAAMSTRWYBL-QGZVFWFLSA-N 475.594 2.326 30 10 JEEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CC(=O)Nc1c(C)cccc1C 1499163896 BUGRLMAKIJKRED-SFHVURJKSA-N 459.558 2.473 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2C[C@@H](C)N2CCOCC2)c1 1507549760 NSSURUGZSYGUCF-LJQANCHMSA-N 459.554 2.117 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2CC[C@H]2COCCO2)c1 1507552720 ROKYNDUAUKKMQS-QFIPXVFZSA-N 460.538 2.126 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1507624794 DJVIMGKVVYVIJE-RDJZCZTQSA-N 466.991 2.469 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CC[C@]2(CCOC2)O1 1507643332 LMOUHCYERBIYOP-LAUBAEHRSA-N 458.360 2.457 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCCCOC)CC1 1507740739 FECOOFKYQFLUJJ-BGYRXZFFSA-N 488.633 2.441 30 10 JEEE C=C(Cl)Cn1c(COc2ccccc2OC)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1507872037 FHQHUPAYMNENRU-UHFFFAOYSA-N 469.995 2.478 30 10 JEEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1508047861 JZFMNQXSMHPIOL-LJQANCHMSA-N 470.603 2.431 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@@H](CCC)C1 1508075442 WDFLZHMJLIADEV-HNNXBMFYSA-N 451.369 2.354 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CCC(N2CCCC2=O)CC1 1508144225 SBLGALXKYNBHNI-UHFFFAOYSA-N 471.627 2.255 30 10 JEEE Cc1cc(C)cc(OCc2nnc(N3CCC(C#N)CC3)n2CCC(=O)N2CCOCC2)c1 1510580976 HJDJESMALGLTPW-UHFFFAOYSA-N 452.559 2.463 30 10 JEEE CCC(CC)[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1)N(C)C 1513296736 HACIGMNIWPPYSN-LEWJYISDSA-N 495.694 2.107 30 10 JEEE CCN(CC)C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(C(N)=O)CCOCC2)C1 1515572610 AWSHUSMQRZDQFO-FQEVSTJZSA-N 465.602 2.267 30 10 JEEE C#CCOCCNC(=O)c1cc(I)ccc1I 1519918946 LYABLHWGBJPSES-UHFFFAOYSA-N 455.033 2.275 30 10 JEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN([C@@H](C)c2nccs2)CC1 1539053211 NAXKBUVKPMEMIA-IRXDYDNUSA-N 465.649 2.032 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CCCN(C)C(=O)OC(C)(C)C 1539232887 TWNQLUJKGMVROF-UHFFFAOYSA-N 451.531 2.255 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@@H]2CCCO2)CC1 1539470330 MMUZRTLEQSIXCT-IBGZPJMESA-N 483.569 2.116 30 10 JEEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 1539743130 WAYCVQCSLIWVJN-INIZCTEOSA-N 459.576 2.116 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2noc3c2COCC3)n1CC(=O)N(C)C 1540118918 CAZUZOFGDGBRSX-UHFFFAOYSA-N 452.515 2.295 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nc(C(F)(F)F)cs1 1540200973 MEMBQCBYNZATCZ-LBPRGKRZSA-N 465.523 2.343 30 10 JEEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1540874292 AXQYUYNKFJZCGQ-LJQANCHMSA-N 454.575 2.209 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1540903341 BTUWCMNVTXXXGP-QGZVFWFLSA-N 451.618 2.026 30 10 JEEE Cc1cc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3ccc(C#N)cc3F)CC2)no1 1542199567 DPJSIZRMXNTAMH-UHFFFAOYSA-N 452.494 2.098 30 10 JEEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NCC(=O)N(C)OC)c1 1557074866 RIDPLRWQKCTTPL-UHFFFAOYSA-N 451.932 2.471 30 10 JEEE C#CCOc1cc(F)ccc1NC(=O)Nc1ccc(OC)c(S(=O)(=O)NCCOC)c1 1562732597 BBLSYSGAWTVHGG-UHFFFAOYSA-N 451.476 2.415 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)s1 1568422366 YOYLZUSXIWNIMB-GASCZTMLSA-N 455.602 2.080 30 10 JEEE C#CCN(c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC(=O)NCCC)[C@@H]1CCS(=O)(=O)C1 1588035309 RHDUTXUCYQOFAN-FUHWJXTLSA-N 489.667 2.284 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc3ccccc3n2)n1CCN/C(O)=C1/N=CC=CC1=O 1588205815 WJCPURIDQZXKMV-BZZOAKBMSA-N 465.517 2.483 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(CN2CCCC2)cc1 1588228961 NTPKPUSMQOYXMN-HSZRJFAPSA-N 465.623 2.287 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@@H]2COc3ccccc32)CC1 1588890577 CBNXNNBZJCIIPU-UYAOXDASSA-N 467.570 2.144 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@@](C)(O)C(C)C)CC1 1588898824 DMBOVVOMWRKNMR-AREMUKBSSA-N 499.612 2.344 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2CCCN2CC)CC1 1588899840 YABDMAAAVRAKTR-GOSISDBHSA-N 488.434 2.486 30 10 JEEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCCN(C(C)C)CC1 1589028009 WKKLLHGANXUNAT-UHFFFAOYSA-N 451.604 2.208 30 10 JEEE C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C(C)C)C1 1589405552 RVXDKRBSYAQRHC-CABCVRRESA-N 462.414 2.002 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccc(CS(C)(=O)=O)c2)CC1 1594236553 FHQJYFISICBFGO-FQEVSTJZSA-N 478.640 2.176 30 10 JEEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1Cc2ccccc2O[C@@H](C)C1 1595577398 RKUMPJKJHRGVNJ-INIZCTEOSA-N 466.567 2.359 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1595796620 ARNHWPMQRKEMNW-HXUWFJFHSA-N 479.647 2.349 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(Cn2ccnn2)CC1 1595831879 YSBNNTXSOUNSEP-WOJBJXKFSA-N 491.662 2.306 30 10 JEEE CC(C)CN1CCO[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CC(=O)NC(C)C)C1 1607580911 CICZPTGSUXLMED-NRFANRHFSA-N 453.591 2.134 30 10 JEEE C#CCN(CC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)c(OC)c1)C(=O)OC(C)(C)C 1629340405 MOKAFXUJDQSREU-UHFFFAOYSA-N 451.545 2.289 30 10 JEEE CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)CCCO2)c1 1635343250 OYIUDIFTASDVGH-GOSISDBHSA-N 450.557 2.239 30 10 JEEE C=CCC[C@H]1CCCN1C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1646216482 PBMICQQSDDKHPG-IBGZPJMESA-N 451.564 2.396 30 10 JEEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN[C@@H](CN2CCOCC2)c2ccccc2)CC1 1653127192 BJTDJKLDOAOYBM-VXKWHMMOSA-N 453.612 2.120 30 10 JEEE C#C[C@@H](NC(=O)Nc1cccn(CCS(C)(=O)=O)c1=O)c1ccc(Br)cc1 1669870042 CPRSJZMMIKZBFV-OAHLLOKOSA-N 452.330 2.151 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1OC1CCCC1 1689853761 YDSMBSQFOYRUCZ-AVRDEDQJSA-N 487.626 2.439 30 10 JEEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 1689873376 GHISFPNZKQJCCP-UHFFFAOYSA-N 466.561 2.348 30 10 JEEE C#CCCCn1c(-c2ccc(Br)cc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1689918195 UPXLLARLNKGMSF-UHFFFAOYSA-N 499.413 2.392 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCCc1cccc(C)n1)[C@H]1CCS(=O)(=O)C1 1689989704 IACPNLUIZBLLEA-LEWJYISDSA-N 457.600 2.483 30 10 JEEE C#CCN(CC#CC)c1nnc(COc2ccc(C)c(C)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1690054179 PNKYPRXYNUNAPY-OAQYLSRUSA-N 469.611 2.361 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@H](C)N2CCOCC2)CC1 1690113278 FKESLRMFIXPKRB-SFHVURJKSA-N 473.419 2.184 30 10 JEEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2C[C@H](C(C)C)N2CCOCC2)CC1 1690130870 PCLLKJJSGLWEEE-XMMPIXPASA-N 450.631 2.175 30 10 JEEE C#CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC[C@H](CC(N)=O)C1 1690171266 YMSKOIUAOAPEBE-QGZVFWFLSA-N 479.610 2.133 30 10 JEEE C#CCSCCn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1690177019 HGQRLTXWVZMBEJ-UHFFFAOYSA-N 470.618 2.119 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OCC(C)C)cc1 1690528063 WNQAOFIEYIOWRB-FQEVSTJZSA-N 463.604 2.316 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1690663383 VANDIXNIKLFYSX-WBMJQRKESA-N 493.793 2.378 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2C[C@H](F)COC)C1 1690696926 LVWZUUJONRLALI-HOTGVXAUSA-N 452.556 2.004 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@@H](C(=O)NC)C1 1690715503 MZJMVSQLLOCCBZ-WOJBJXKFSA-N 459.616 2.383 30 10 JEEE CN(CCS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCCN1C1CC1 1696841703 AJVVHXAYRGYLJF-HXUWFJFHSA-N 472.615 2.226 30 10 JEEE C#CCCCCn1c(N2CCN(C(=O)c3ccccn3)CC2)nnc1[C@]1(OCC)CCOC1 1705522126 WCUZQYVUBBSHQF-DEOSSOPVSA-N 452.559 2.091 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1csc([C@H](C)OC)n1)[C@H]1CCS(=O)(=O)C1 1705566818 QLXKRUOOTQKUCA-SZMVWBNQSA-N 479.628 2.359 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1Cc1ncccc1N(C)C)[C@@H]1CCS(=O)(=O)C1 1705570420 MZXZSQOMJYHWCT-LJQANCHMSA-N 482.585 2.144 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@]1(C)CN(C2CC2)C1=O 1705582123 ULCWWGXSSWILQK-AFMDSPMNSA-N 480.613 2.476 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnccn3)n2C[C@H]2C[C@H](C)O[C@H](C)C2)n1 1705631751 PCNPNLXWPFRHNJ-ACDBMABISA-N 464.574 2.421 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCC2CCN(CC)CC2)CC1 1705635452 ZATNKCPLKGQDKN-RUZDIDTESA-N 458.651 2.196 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C)Cc2cccs2)CC1 1705647832 MLIFJZBGVNSZJL-APWZRJJASA-N 454.600 2.135 30 10 JEEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1705660563 YLZQBFXWJOIBOH-KRWDZBQOSA-N 470.599 2.080 30 10 JEEE C=CCC(C)(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(NS(C)(=O)=O)CC1 1705788447 BCXVIWZWERLXGU-UHFFFAOYSA-N 495.671 2.469 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2CCCOC2)n1CC(=O)N1CCN(c2ccccc2)CC1 1705884832 YTIGYGGLQPUYBP-NRFANRHFSA-N 468.602 2.160 30 10 JEEE C=CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(=O)(=O)N(CCC)CCC)CC1 1705889005 AKZMJKXVDSNMBQ-UHFFFAOYSA-N 457.604 2.492 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1705905933 LXUNZONPLRSYGS-SFHVURJKSA-N 452.588 2.128 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@](C)(C(N)=O)C1 1705931071 DSZLBRFXELYWCU-IBGZPJMESA-N 482.404 2.010 30 10 JEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 1705947049 YLPIZOTWCJJOOE-WBVHZDCISA-N 494.639 2.170 30 10 JEEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1705947943 DCXJBTSAALRACK-IBGZPJMESA-N 458.636 2.445 30 10 JEEE CC(C)NC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1706643884 IFBCWRBHMSIIMF-GOSISDBHSA-N 453.547 2.445 30 10 JEEE Cc1nn(C)c(C)c1CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)N(C)C)CC1 1707803106 HYGAQKLAXNXIMY-SFHVURJKSA-N 461.618 2.439 30 10 JEEE CCO[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2Cc2ccc(OCCN(C)C)cc2)CCOC1 1710456452 BFYFNUZRSYRCMY-BJKOFHAPSA-N 472.565 2.361 30 10 JEEE CO[C@@H]1COCC[C@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@](F)(C#N)C1 1712090578 BTGRKSSSYKIMCV-CECAUBDESA-N 476.940 2.355 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CCCn2ccnc2C)c1 1722304975 BXLHHBIJXDGNDD-UHFFFAOYSA-N 462.558 2.068 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@]1(C)CCO[C@H]1C1CC1)[C@H]1CCS(=O)(=O)C1 1722358489 IEFBMHGAFDXKAK-SKPFHBQLSA-N 491.658 2.028 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1CCN1CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1722364739 JAMVACMMCWQJHL-UNMCSNQZSA-N 485.654 2.236 30 10 JEEE C#CCN(c1nnc(CC)n1Cc1ccc(N2CCC(C)CC2)nc1)[C@H]1CCS(=O)(=O)C1 1722366789 KOLXNQNHODCMCL-FQEVSTJZSA-N 456.616 2.147 30 10 JEEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1722401181 OLDWHMSBOWMBTM-NRFANRHFSA-N 472.601 2.103 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1C[C@H]1NC(=O)CC1(C)C 1722421095 FZAILGXCOSHUIK-LJQANCHMSA-N 452.534 2.094 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnn(C)c3)n2CC2C[C@@H](C)O[C@H](C)C2)n1 1722427102 GKKUROXLVHNWCN-RTBURBONSA-N 466.590 2.365 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCCc2ccc(OC)cc2)CC1 1722447577 MNTYUUYRAQVKPB-OAQYLSRUSA-N 451.571 2.389 30 10 JEEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1722456859 HUYFZHFGLRDBCA-HXUWFJFHSA-N 477.638 2.316 30 10 JEEE C#CCSCCn1c(Cc2c[nH]c3ccccc23)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1722463220 WBKQWYVLSDVXBV-LJQANCHMSA-N 467.620 2.343 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2OC)nnc1N1CCN(CC(=O)N(C)C)CC1 1722497303 UGSBTWSFWBTPKK-CVDCTZTESA-N 468.602 2.145 30 10 JEEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 1722528225 WZNHTZQXSRBOSE-UHFFFAOYSA-N 458.538 2.111 30 10 JEEE C=CCCOCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1722625749 WWBDAXAGZNZLIY-RTBURBONSA-N 451.579 2.432 30 10 JEEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCCN(S(C)(=O)=O)CC1 1722685244 AMEXTLPHTVJGSM-UHFFFAOYSA-N 468.624 2.050 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC(Cn2ccnn2)CC1 1722690056 DPPKCVGWCDYOMM-KRWDZBQOSA-N 468.537 2.368 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1722693050 CAUVBDTTYIDLFB-UHFFFAOYSA-N 486.020 2.035 30 10 JEEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N(C)C1CCC2(CC1)OCCO2 1722701606 WWUFXRVODCAYTQ-UHFFFAOYSA-N 455.559 2.324 30 10 JEEE CC(C)[C@@](C)(O)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1723096640 CIDBMDVHCZLMAB-RDPSFJRHSA-N 452.559 2.371 30 10 JEEE CC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2cnn(C)c2)CC1)OC 1727279849 CIURKPMDSKFNMY-FQEVSTJZSA-N 450.547 2.214 30 10 JEEE COc1cc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCN2CCOC[C@H]2C)cc(OC)c1OC 1729969575 ATKLCJSSVMSMEE-WAIKUNEKSA-N 474.537 2.134 30 10 JEEE N#C[C@]1(F)CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCN2CCOCC2)C1 1731179162 AMEAFAMBVJKAFK-GOSISDBHSA-N 452.332 2.200 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2C[C@H]2CCCN(C(C)=O)C2)c1 1740563231 RHVIBMQLSFCHIA-VXKWHMMOSA-N 478.597 2.487 30 10 JEEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 1740597286 QZNSULXXMAENDP-NHCUHLMSSA-N 495.690 2.487 30 10 JEEE C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@H]1CCC(F)(F)C1)[C@H]1CCS(=O)(=O)C1 1740617164 NFFRRFLJRXPHND-ULQDDVLXSA-N 460.547 2.064 30 10 JEEE C#CCN(c1nnc(CSc2ccc(Cl)cc2)n1C[C@]1(O)CCOC1)[C@@H]1CCS(=O)(=O)C1 1740628757 SWASQWHYSPYBIN-DYESRHJHSA-N 497.042 2.002 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC[S@@](=O)CC 1740639509 VLLRYVPUBACMQO-YTTGMZPUSA-N 450.568 2.077 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CSCCS1 1740680592 IEUSNKUFQXZNAT-QGZVFWFLSA-N 466.654 2.283 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2CCN2CCC[C@H]2C)CC1 1740703381 QIWUXYSXOCFDPG-LJQANCHMSA-N 450.587 2.404 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1740759654 KCXHWODBVVNTSB-UGKGYDQZSA-N 453.591 2.278 30 10 JEEE C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1740778329 WOONOKXUSWZSBT-CQSZACIVSA-N 462.396 2.401 30 10 JEEE C=CCCOCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(C(C)=O)C[C@@H]1C 1740884954 RREBTTVKQRJCLC-INIZCTEOSA-N 451.531 2.244 30 10 JEEE C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1740949939 ZIAHJJIZLNORMR-WOJBJXKFSA-N 472.634 2.323 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(C[C@H]2CCOC2)CC1 1740953256 ZQSQLJREOCDACI-RTBURBONSA-N 472.565 2.018 30 10 JEEE C=CCOc1ccccc1Cn1c(COCC)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1740971739 VOQJHWHBLGPWPO-UHFFFAOYSA-N 470.574 2.002 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCN(C)C(=O)[C@@H]1C 1740987359 FMRSFPXVJRBIPA-CVEARBPZSA-N 477.656 2.399 30 10 JEEE CC(C)COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCO[C@H]2C)CC1 1741576156 BSGRGADJQXRQRM-MHECFPHRSA-N 468.558 2.271 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@]2(O)CCC[C@H]2C)c1 1748690333 QQCAOWRHVWWQPJ-MZNJEOGPSA-N 452.559 2.024 30 10 JEEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2nccc(OCC)n2)CC1 1748725094 SCKHMKLKFMBKGU-UHFFFAOYSA-N 463.590 2.459 30 10 JEEE C#CCN(CC)c1nnc(Cc2cn3ccccc3n2)n1C[C@H](N1CCOCC1)C(F)(F)F 1748931394 XDOHWUXENPZDRG-SFHVURJKSA-N 461.492 2.239 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(CNC(=O)c2cccs2)n1C[C@]1(O)CCOC1 1748946871 SBKZOXKBOOJYIU-HSZRJFAPSA-N 469.542 2.200 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2Cc2cc(OC)nc3ccccc23)CC1 1748978203 NUUFZGIISLMWGC-IBGZPJMESA-N 464.570 2.362 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCNC(=O)c2cccc(O)c2)CC1 1748983284 MIMJLERMOCYIRN-UHFFFAOYSA-N 479.972 2.274 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ncccc2F)CC1 1749020335 PWYZHPSXJXBEEB-UHFFFAOYSA-N 466.546 2.153 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1CCCN1CCOC1=O 1749530253 WRADVKQZUVBLCD-UHFFFAOYSA-N 463.542 2.421 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nnc(C)s1 1749531120 CPQIOWQRBYZBKH-GOSISDBHSA-N 469.596 2.453 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@]2(OCC)CCOC2)n1CC1(O)CCS(=O)(=O)CC1 1749549489 YUUJYUIDMLKAMC-QFIPXVFZSA-N 496.655 2.124 30 10 JEEE C=CCSCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCN(C)C(=O)[C@H]1C 1749761124 VCUUQMGRXJBFCC-OAQYLSRUSA-N 483.686 2.229 30 10 JEEE Cc1cc([C@](C)(O)Cn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@@H](C#N)C2)c(C)o1 1751386765 HINMKIDTKIKPKE-KSFYIVLOSA-N 470.555 2.116 30 10 JEEE C#CCN(c1nnc(C(C)C)n1CCCn1cc(Br)cn1)[C@H]1CCS(=O)(=O)C1 1760182088 GKKYPPOIMZTQBO-INIZCTEOSA-N 469.409 2.078 30 10 JEEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2C[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 1760262664 VLIHZRDRSPMRNR-OAQYLSRUSA-N 465.602 2.419 30 10 JEEE C=C(Br)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCOCC1 1760301536 CXXZZRFFUANFIT-UHFFFAOYSA-N 455.382 2.292 30 10 JEEE C=C(Br)Cn1c(-c2cccnc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1760304798 HIMZZFVYBWYKAC-UHFFFAOYSA-N 455.382 2.109 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccn2C)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1760320928 ZNTIZUXFLNFQKB-REWPJTCUSA-N 469.634 2.255 30 10 JEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C(F)(F)F)c1 1760464202 BTCDXODRHBBMJA-MRXNPFEDSA-N 459.494 2.300 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCN1CCN(C(C)=O)CC1 1760468568 YOBXXNKGMZABGK-IBGZPJMESA-N 461.611 2.136 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(C(=O)OC)CC1 1760515327 CYDICUGPTOTIEX-OAHLLOKOSA-N 462.938 2.262 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@@H](COC)C1 1760516234 YSACNVFGTVRNSO-CQSZACIVSA-N 451.369 2.211 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N(C)CC(=O)Nc1cc(F)cc(F)c1 1760552643 VYNCBZDZFYEZJK-UHFFFAOYSA-N 476.509 2.294 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(c2cc(F)ccc2F)CC1 1760555313 BWRSCZLTKZMAJP-KRWDZBQOSA-N 481.569 2.378 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1760557421 LCEWKAKLILRMDV-UXHICEINSA-N 459.616 2.439 30 10 JEEE COc1cc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H]2CCOC[C@@H]2OC)cc(OC)c1OC 1769816800 GDHYECTTWXQTDQ-VVWXKSFDSA-N 475.521 2.464 30 10 JEEE COCCN(C)S(=O)(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)SC)C1 1771085714 GSSPMOIGQYEMIE-PXNSSMCTSA-N 492.671 2.445 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1772659869 JYHOFERSSVGMIQ-GUYCJALGSA-N 467.954 2.053 30 10 JEEE COCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccc(O)c([N+](=O)[O-])c1 1862610820 UZXTUDHRRJTZTN-IBGZPJMESA-N 456.407 2.296 30 10 JEEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1C(=O)O 1862757904 RZSCHKVPRVGHRJ-SFHVURJKSA-N 453.407 2.007 30 10 JEEE CCC[C@H](NC(=O)c1ccc2c(c1)C(=O)N([C@H](C)C(=O)O)C2=O)C(=O)N[C@H](C#N)c1ccc(C)cc1 1867490250 OQNBJXJPTREORW-GQWLDOHISA-N 490.516 2.344 30 10 JEEE CC(=O)Nc1ccc(S(=O)(=O)Nc2c(C#N)nnn2-c2cc(NC(C)=O)ccc2C)cc1 1870095883 XSQBUGQXOJIRQB-UHFFFAOYSA-N 453.484 2.165 30 10 JEEE CCOc1ccc(/C=C/C(=O)Nc2c(C#N)nnn2-c2ccc3c(c2)C(=O)N(C)C3=O)cc1OC 1870148914 DFKGBPWUUMSNBE-UXBLZVDNSA-N 472.461 2.424 30 10 JEEE C=CCOc1cn(C[C@@H](c2ccccc2)N2CCCC2)c(CN2CCN(CCO)CC2)cc1=O 1870387081 PIIDKBPIXZUWCU-VWLOTQADSA-N 466.626 2.360 30 10 JEEE CC(C)(C)N1C[C@H](c2nnc(SCCO)n2/N=C/c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1=O 1874280750 ZOZFJGDQOFZFHJ-DACUGSJHSA-N 490.542 2.039 30 10 JEEE CC(C)(C)OC(=O)N[C@H](C(=O)NCCc1cccc(B2OC(C)(C)C(C)(C)O2)c1)C1COC1 2180967909 MLFNUAXZMQSKDA-IBGZPJMESA-N 460.380 2.184 30 10 JEEE CC(C)(C)OC(=O)NC1(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)CCCCC1 2256615935 YNKVTOARMTWJAL-UHFFFAOYSA-N 452.386 2.425 30 10 JEEE CC(C)(C)OC(=O)NCCOCCNC(=O)c1cc(F)ccc1B1OC(C)(C)C(C)(C)O1 2266987444 ADASKTDSHZJVDF-UHFFFAOYSA-N 452.332 2.396 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)s1 2267111752 XCGWGAHUOBGOPD-HOCLYGCPSA-N 466.409 2.313 30 10 JEEE CN(C[C@@H]1COCCN1C(=O)OC(C)(C)C)C(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2267149208 JPASIOKXBLNSND-CQSZACIVSA-N 467.397 2.150 30 10 JEEE Cc1cc(C(=O)NC2(C(=O)O)CN(C(=O)OC(C)(C)C)C2)sc1B1OC(C)(C)C(C)(C)O1 2267232619 UNIKKPDOHFQYDB-UHFFFAOYSA-N 466.365 2.160 30 10 JEEE CC1(C)OB(c2cnccc2C(=O)N[C@H]2CCOC[C@@H]2NC(=O)OCc2ccccc2)OC1(C)C 2267479919 RSBYTHBJIRPNHI-SFTDATJTSA-N 481.358 2.195 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@H](NC(=O)c3csc(B4OC(C)(C)C(C)(C)O4)c3)[C@H]2C1 2267554152 WSDFMVQWHCXUAF-PMPSAXMXSA-N 464.393 2.411 30 10 JEEE C[C@@H]1CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)CC[C@@H]1NC(=O)C(F)(F)F 2267714753 ZZFSPUKEJJVBJN-NEPJUHHUSA-N 482.355 2.125 30 10 JEEE CN(Cc1sccc1B1OC(C)(C)C(C)(C)O1)C(=O)[C@H]1C[C@H](O)CN1C(=O)OC(C)(C)C 2268646760 LJTYJQGIFQHXDL-GOEBONIOSA-N 466.409 2.376 30 10 JEEE CO[C@H]1C[C@](NC(=O)OC(C)(C)C)(C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)C1 2268723304 QPXZBZSHQTXQGW-IPVJXJPOSA-N 467.397 2.131 30 10 JEEE COc1ccc(CNC(=O)CCONC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2278701011 HFPCRRUVHLLQAD-UHFFFAOYSA-N 450.341 2.457 30 10 JEEE Cc1nn(C)c(C(=O)N[C@H]2C[C@H](C)CN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2281987921 FPBYSRABYXEOFB-HOCLYGCPSA-N 462.400 2.403 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2[C@H]3CCCCN(C(=O)OC(C)(C)C)[C@H]32)n1 2282036235 GDXYMQLLTLTLED-QGPMSJSTSA-N 460.384 2.237 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](CO)[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)CC1 2282193930 SNGYMTPCUDZFKU-WBVHZDCISA-N 463.384 2.052 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](C(=O)O)N(C(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)C1 2282199878 LWDJYTVRYBCMEN-HIFRSBDPSA-N 464.324 2.161 30 10 JEEE Cc1cc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)sc1B1OC(C)(C)C(C)(C)O1 2282327493 IVONPOMGJYEIHR-OAHLLOKOSA-N 497.448 2.489 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N(Cc1ccccc1)CC1CCOCC1 2282330266 XIWGPSSQTGQUBR-UHFFFAOYSA-N 475.420 2.337 30 10 JEEE C[C@H]1C[C@H](NC(=O)C(F)(F)F)CCN1S(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2282349689 BYMRKUXDDSYWMQ-UONOGXRCSA-N 476.326 2.206 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1COCCN(C(=O)c2c(F)cccc2B2OC(C)(C)C(C)(C)O2)C1 2282468013 OOHMLPCALVTQEN-HNNXBMFYSA-N 464.343 2.491 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1C[C@H]2CC[C@H]1N2C(=O)OC(C)(C)C 2282536093 YAOCODDPELBFIB-BFYDXBDKSA-N 460.384 2.237 30 10 JEEE Cc1c(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C23CC3)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282554912 LDAUEZHZYXGAMV-HNNXBMFYSA-N 460.384 2.300 30 10 JEEE CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](CNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2282581056 BUVFQTYPQCNOMH-CYBMUJFWSA-N 470.326 2.331 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)n1 2282590842 HRKUYUWLGUGCMC-BFYDXBDKSA-N 460.384 2.187 30 10 JEEE CC(C)(C)OC(=O)Nc1ccc(CNC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)cn1 2282674282 INEZWMMMACLLGH-UHFFFAOYSA-N 455.324 2.448 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(O)cc2O)[C@H]2C[C@H]21 2282983132 JLGKWYQZTDDZMA-JKSUJKDBSA-N 460.336 2.231 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)sc1CNC(=O)CN1CC(CNC(=O)OC(C)(C)C)C1 2283957518 YTNZCGSBKYEFOR-UHFFFAOYSA-N 479.452 2.428 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NCC#CB1OC(C)(C)C(C)(C)O1 2283963767 PRUAGHISPBTRMM-INIZCTEOSA-N 460.336 2.285 30 10 JEEE COC(=O)c1[nH]c(C)c(C(O)=C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2cc(OC)ccc2OC)c1C 2297060010 WUYJQSHTSRHQGX-OAQYLSRUSA-N 485.537 2.419 30 10 JEEE COc1ccc(NC(=O)[C@@H](O)[C@H](C)NC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2339735185 GDXCHDWDVPKGEE-GUYCJALGSA-N 450.341 2.207 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H]3CCN(Cc4ccccc4)[C@H]3C2)n1C 2362490330 QXWNPAVQILNJJP-UXHICEINSA-N 450.392 2.374 30 10 JEEE CC(C)(C)OC(=O)NC[C@]1(Oc2ncccc2B2OC(C)(C)C(C)(C)O2)CCCS(=O)(=O)C1 2368394235 FVVSGJGUHYYMGK-JOCHJYFZSA-N 482.408 2.232 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)N3CCN(c4ccc(F)cc4)CC3)cc2C1=O 9094684 LLPHPVDMOBUECJ-UHFFFAOYSA-N 451.454 2.113 30 10 JEEE O=C(CSc1n[nH]c(N/N=C/c2cccc([N+](=O)[O-])c2)n1)NCc1ccc2c(c1)OCO2 58993018 WCVHUDUUOIUESW-ZVBGSRNCSA-N 455.456 2.296 30 10 JEEE COc1ccc(/C=N/Nc2n[nH]c(SCC(=O)NCc3nnc(C(C)C)o3)n2)cc1OC 59878555 BJQHDINRAGFQNT-ODCIPOBUSA-N 460.520 2.183 30 10 JEEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(NC(=O)c3ccc(Br)o3)cc2)CC1 612082366 PEFSNXLBGSFGHV-UHFFFAOYSA-N 475.343 2.354 30 10 JEEE O=C(NCC#CC(=O)N1[C@H](C(=O)O)C[C@H]2OCC[C@@H]21)OCC1c2ccccc2-c2ccccc21 757530829 NLJWPUIFMIZQNR-RJGXRXQPSA-N 460.486 2.372 30 10 JEEE COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)OC(=O)[C@H](C)Oc1ccc(C#N)cc1 821043783 BKNSNACJVYLSCZ-GJZGRUSLSA-N 475.523 2.155 30 10 JEEE C#C[C@@H]1CCCN(CC(=O)NCCN2C(=O)S/C(=C\c3ccc(OC)c(OC)c3)C2=O)C1 1195568561 QPOJTMHRBKGDOY-FPXKJXHESA-N 457.552 2.202 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCO[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1286385161 VEILMCNCNHDJMG-SQGPQFPESA-N 473.555 2.295 30 10 JEEE C#CCN(c1nnc(CCOc2ccccc2)n1C[C@H]1CCC=CO1)[C@H]1CCS(=O)(=O)C1 1286394683 WHVDVFYBRVGSIV-PZJWPPBQSA-N 456.568 2.219 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCc1nc(C)c(C)s1)[C@@H]1CCS(=O)(=O)C1 1286397290 YWUADHJEGMAUSD-QZTJIDSGSA-N 463.629 2.115 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN1CCC(C)CC1 1286439698 WMMUQUBZRDPHGV-UHFFFAOYSA-N 467.643 2.433 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4ccccc4n3)n2C[C@@](C)(O)CCOC)CC1 1286488980 AFIGSWNKEHMHKF-SANMLTNESA-N 476.581 2.247 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2Cc2cnn(CC(C)C)c2C)CC1 1286493683 IEQYJADDNLEXES-UHFFFAOYSA-N 474.613 2.439 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OC)n2C[C@@]2(C)CCCO2)CC1 1286494038 YUWSZVFWBGCREY-RUZDIDTESA-N 467.570 2.401 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](OC)c1ccc(F)cc1 1286522075 GOPMYXIAKZEYFT-MIZPHKNDSA-N 491.589 2.130 30 10 JEEE C=C(Cn1c([C@@H](C)OCCOC)nnc1N1CCCN(S(C)(=O)=O)CC1)c1ccccc1 1286615273 KOGNKOWLSKSNCJ-LJQANCHMSA-N 463.604 2.187 30 10 JEEE C=CCNC(=O)Cn1c(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)nnc1C1(c2ccccc2)CCC1 1286793435 XYOZVHZSNSKHSW-MSOLQXFVSA-N 459.616 2.308 30 10 JEEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1286830268 KPAXXLNZNCSANK-HXUWFJFHSA-N 451.600 2.342 30 10 JEEE COC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC1 1299376437 HSVMFUBQIAQGRO-LJQANCHMSA-N 492.502 2.469 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2Cc2c(C)noc2C)c1 1300331945 UZBHGLBWHVZEBH-UHFFFAOYSA-N 461.526 2.223 30 10 JEEE C#CCCCCn1c(N2CCN3C(=O)OC[C@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1300377271 UVEPDZPRTIFIKP-FGTMMUONSA-N 458.563 2.493 30 10 JEEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H](C)CN1CCN(CC)CC1 1300455476 KLONVZHCSPCFGB-FQEVSTJZSA-N 476.629 2.018 30 10 JEEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccccc1C(F)(F)F 1300509146 GRCQSLKLPSXAFU-HNNXBMFYSA-N 453.490 2.223 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2cccc(OC)c2OC)CC1 1300731048 AFPVSAWSFWYSIU-REWPJTCUSA-N 497.596 2.033 30 10 JEEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1301458574 XFPLEUAXGHMRIM-QGZVFWFLSA-N 462.595 2.467 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 1301506715 POOYWWDJWJGNTB-GOSISDBHSA-N 469.590 2.307 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2nc3cccc(Cl)c3n2C)C1 1301538723 KMOXOAUKURADTC-HUUCEWRRSA-N 494.021 2.258 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1301588155 XNTIZUZHQNIKSP-QHCPKHFHSA-N 478.590 2.383 30 10 JEEE Cc1ccc(NC(=O)c2nnc(N3CC[C@@](F)(C#N)C3)n2CCN2CCOC[C@H]2C)cc1C 1304378598 DIHQFRNNOPFTST-WZONZLPQSA-N 455.538 2.310 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCNC(=O)[C@@H](C)CCC)[C@H]1CCS(=O)(=O)C1 1358959477 JMDDNELNTXDCNX-WMZOPIPTSA-N 493.033 2.173 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCS1)[C@H]1CCS(=O)(=O)C1 1358966580 RPTRDTSGZQYXQL-AZUAARDMSA-N 471.608 2.251 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCc1cccnc1 1358987304 ALDDCYXHQWSQMD-UHFFFAOYSA-N 462.579 2.296 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(Cc2csc(C)n2)CC1 1359048019 BXFKNFRNGFARFH-UHFFFAOYSA-N 482.639 2.379 30 10 JEEE C=CCCOCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCc2nn(C)c(=O)cc2C1 1359224509 UMWCQRCFZCDUJK-UHFFFAOYSA-N 466.542 2.211 30 10 JEEE C=CCCOCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1359227493 CETXRLKFPSISAH-UHFFFAOYSA-N 489.020 2.288 30 10 JEEE C=CCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCC(NS(C)(=O)=O)CC1 1359285421 GZPPWQDDUMXXKE-UHFFFAOYSA-N 470.393 2.420 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1359296887 XVCDCQPVAMHLSU-UHFFFAOYSA-N 476.585 2.379 30 10 JEEE C=CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC[C@@H](C(N)=O)C1 1359341229 PPIOTPFVPYIXKQ-MRXNPFEDSA-N 467.599 2.296 30 10 JEEE C#C[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCN(C(C)=O)CC2)c1)c1ccc(Cl)cc1 1436648674 MAZJWXULPPJBRC-OAQYLSRUSA-N 459.955 2.297 30 10 JEEE CCOC(=O)C[C@H](c1ccccc1)C1CCN(C(=O)CCn2cc(C#N)c(O)nc2=O)CC1 1441608882 BXMSCCNYRVTKKV-HXUWFJFHSA-N 452.511 2.186 30 10 JEEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)CC(=O)NCc1ccccc1 1469192986 BPPJKNMHXFGNEU-LJQANCHMSA-N 456.568 2.059 30 10 JEEE CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCC[C@@H](O)C2)CC1 1496305874 CZQDXHGKLDLMGA-XKCSPQBFSA-N 479.629 2.405 30 10 JEEE CC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C(=O)N2CCOCC2)CC1)OC 1497383284 GTQQQKRVCMJECR-NRFANRHFSA-N 482.585 2.229 30 10 JEEE CCn1nc(-c2nnc(N(C)[C@@H](C)CC#N)n2C[C@@H]2CCCS(=O)(=O)C2)c2ccccc2c1=O 1502360016 HRLZWKDPZOKJEG-IRXDYDNUSA-N 483.598 2.238 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1-n1nc(C)cc1C 1507518595 VTDZJSHRRGRNLW-AEFFLSMTSA-N 455.588 2.197 30 10 JEEE C#CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1507589949 AIQBIFSEUKJLOT-QZTJIDSGSA-N 457.579 2.020 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCN1CCCC1 1507660893 GSZGQNLTRPRBLZ-UHFFFAOYSA-N 467.643 2.495 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCCN2CCCC[C@H]2C)CC1 1507716604 SFYWGOJVYWLKMB-OAQYLSRUSA-N 464.618 2.335 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC(O)(CC)CC)CC1 1507734743 WFOAWOGEGPZBIC-UHFFFAOYSA-N 469.586 2.479 30 10 JEEE C=CCCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1507953000 ZKWSLKXULGRZQH-GCJKJVERSA-N 454.623 2.095 30 10 JEEE C=CCCOCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](C)[C@@H](O)C1 1507964871 MTRXEHPVVAVZKO-QYZOEREBSA-N 465.595 2.386 30 10 JEEE C=CCN(CC=C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC(=O)N1CCOCC1 1508018102 MOWGPGPCLGLYJL-UHFFFAOYSA-N 477.569 2.102 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCOC1 1508037920 FYBSLMSNNAOZBY-ZWKOTPCHSA-N 451.568 2.262 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1508091664 NGUDOHCNCSTWPY-IBGZPJMESA-N 494.600 2.351 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(C(C)=O)C[C@H]1C 1508134396 DLTNSIKTQVCDJB-IAGOWNOFSA-N 479.578 2.215 30 10 JEEE C#C[C@H]1COCCN1C(=O)COc1ccc(N(C)S(=O)(=O)c2ccc(OCC)cc2)cc1 1525110501 XZXMRKYGTCNNMX-SFHVURJKSA-N 458.536 2.150 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H](c1ccsc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1539211778 OUCHWTZQONOTDL-QUCCMNQESA-N 472.640 2.275 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1539231840 XQFWAXGQMXSJJB-CXQPBAHBSA-N 450.605 2.065 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@H]1CN(CC(C)C)CCO1 1539251570 JHFMRAKCHIYONR-OAQYLSRUSA-N 451.571 2.392 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccccc2F)n1C[C@@]1(N2CCOCC2)CCSC1 1539279146 VWTPMYODDANAKY-DEOSSOPVSA-N 469.586 2.277 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CC[C@H](C)N2CCCCC2)CC1 1539484329 LFDUGMCCTLLRNW-NRFANRHFSA-N 463.630 2.494 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2CCN2CCCC2)CC1 1539488122 HVBHUQJGMPWSER-UHFFFAOYSA-N 450.587 2.227 30 10 JEEE C=CCn1c(COc2ccc(Br)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1540860105 KMGJPQYLIWLQCQ-MRXNPFEDSA-N 475.347 2.278 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1540898908 YKLGERPIQCLBNC-AWEZNQCLSA-N 494.419 2.364 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ccccn2)CC1 1540900166 MUPIUGIZHPIGBG-UHFFFAOYSA-N 463.567 2.139 30 10 JEEE C#CCN(CC#CC)c1nnc(Cc2cccnc2)n1CC1(NC(=O)OC(C)(C)C)COC1 1588238359 SJZFUYJQVXZKTQ-UHFFFAOYSA-N 450.543 2.021 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1C[C@H](c1ccc(C)o1)N1CCOCC1 1588646394 JJBSQLFFUHPUPV-LEWJYISDSA-N 457.575 2.233 30 10 JEEE C#CCN(CCOC)c1nnc(CSc2ccc(Cl)cc2)n1CC(=O)N1CCOCC1 1588695250 GGMDARFPCSGWDQ-UHFFFAOYSA-N 463.991 2.169 30 10 JEEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CCCn2cc(Br)cn2)CC1 1588857944 VWAHCRULFOGDCE-UHFFFAOYSA-N 489.447 2.438 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CCOc2ccc(S(C)(=O)=O)cc2)CC1 1588885414 WMTJOUCZHNUKHP-UHFFFAOYSA-N 487.626 2.024 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@]2(OC)CCOC2)CC1 1588908232 MFKXOQSHBFODAW-QHCPKHFHSA-N 457.962 2.370 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCN(C(=O)OC(C)(C)C)C2CC2)CC1 1588929677 FMXRQOMWFTVQIZ-IBGZPJMESA-N 486.617 2.147 30 10 JEEE C#CCSCCn1c(COc2ccc(Br)cc2)nnc1N1CCN(C(=O)NC)CC1 1589110780 ZMSCUUZYHGABGY-UHFFFAOYSA-N 493.431 2.447 30 10 JEEE C=C(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1589741984 BCDQMAUGUJEXBQ-UHFFFAOYSA-N 461.570 2.333 30 10 JEEE C=CCNC(=O)Cn1c(N2CC[C@@H](C)N(Cc3ccccc3)CC2)nnc1[C@]1(OCC)CCOC1 1595602029 DDJXPRFBMBOQEQ-RLWLMLJZSA-N 482.629 2.333 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](c2ccccc2)C[C@@H]1C 1595752595 BDYHIXUMWYFDMA-AZUAARDMSA-N 457.600 2.497 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 1595798583 QTSOFTOMHQVBNJ-UYAOXDASSA-N 481.663 2.150 30 10 JEEE CCN1CCN(C2CCN(c3nnc(-c4ccc(C#N)cc4)n3CCC(=O)N(C)C)CC2)C1=O 1615874460 BXTRPMPHPYQHHF-UHFFFAOYSA-N 464.574 2.021 30 10 JEEE CN(CCn1c(-c2ccc(C#N)cc2)nnc1N1CCc2nn(C)c(=O)cc2C1)C(=O)OC(C)(C)C 1618264331 HTSBWOHHCOEERT-UHFFFAOYSA-N 490.568 2.340 30 10 JEEE C#CCCN(CCOC)C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 1618712317 CDBKYHZELBVKAI-INIZCTEOSA-N 457.390 2.348 30 10 JEEE COc1ccc(OC(F)F)c(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@H](C)C#N)c1 1619305445 HARLYZYVZJHBJX-KGLIPLIRSA-N 469.514 2.434 30 10 JEEE C=CCn1c(S)nnc1-c1sc(NC(=O)c2ccc(F)c(S(N)(=O)=O)c2)nc1C 1628357063 SGSYRTNRQSYQMU-UHFFFAOYSA-N 454.534 2.224 30 10 JEEE Cc1cc(C#N)cc(NC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1 1629825352 DBZLODCURXYHAB-UHFFFAOYSA-N 458.515 2.258 30 10 JEEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1689910999 XIZBBNXUYQSUJL-DEOSSOPVSA-N 497.987 2.089 30 10 JEEE C#CCCCn1c(-c2ccc(OC)cc2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1689921115 UVCRDCGEAZLNIN-XXBNENTESA-N 450.587 2.356 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CC(C)(C)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1689978437 VPLRPLPGFUPLMM-HNNXBMFYSA-N 477.553 2.412 30 10 JEEE C#CCN(CC)c1nnc(-c2cnccn2)n1C[C@@H]1C[C@@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1690072749 RUSYJVLDNURAFU-AOIWGVFYSA-N 453.547 2.219 30 10 JEEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC[C@H](C(F)F)N1CCOCC1 1690077779 WLXMLAZDSQWQMB-HXUWFJFHSA-N 488.587 2.268 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H]2CCCO2)CC1 1690124472 LZSUVJYCDCCYCN-WOJBJXKFSA-N 458.607 2.327 30 10 JEEE C=C(Cl)Cn1c(C2CCC2)nnc1N1C[C@@H]2[C@@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1690342159 BXSWUYMCTKCYMV-PMPSAXMXSA-N 472.011 2.425 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@H](CN2CCOCC2)C1 1690660293 DCXMRKQXYXHFGQ-RBUKOAKNSA-N 472.565 2.018 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1690719493 NKJPSIWRYRJOCF-SFHVURJKSA-N 471.587 2.343 30 10 JEEE C[C@@H](CN(C)C(=O)OC(C)(C)C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1 1692682264 GISSIYHMXFHBCJ-WMZOPIPTSA-N 480.635 2.423 30 10 JEEE N#Cc1ccc(-c2nnc(N3CCC[C@H](CN4CCOCC4)C3)n2CC(=O)NCC(F)(F)F)cc1 1698487151 BTYGXJBDUSIIRN-GOSISDBHSA-N 491.518 2.044 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCN1CCN(C(C)=O)CC1 1705491673 GQWTWGAZMDQREQ-FPOVZHCZSA-N 487.649 2.015 30 10 JEEE C#CCCCCn1c(C2CCCC2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1705515939 QJBHTUIJSQSYDX-UHFFFAOYSA-N 459.620 2.292 30 10 JEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CCCO[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1705559769 BDMFBAOLCFQWQZ-VQTJNVASSA-N 479.002 2.421 30 10 JEEE C#CCN(c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@H]1CCC(=O)N1)[C@H]1CCS(=O)(=O)C1 1705562410 BNVVSJBCHJMJKQ-RTWAWAEBSA-N 499.637 2.275 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1ccccc1COC)[C@H]1CCS(=O)(=O)C1 1705570682 SLLHJRSMKHJNLH-QFIPXVFZSA-N 465.579 2.085 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCCCO2)n1CCOc1ccc(S(C)(=O)=O)cc1 1705596426 DLGWWDFBWWGJBI-OAQYLSRUSA-N 456.568 2.465 30 10 JEEE C#CCN(CC#CC)c1nnc(Cc2csc(C)n2)n1Cc1ccccc1S(=O)(=O)N(C)C 1705600027 JBCUEHWBDOVBKL-UHFFFAOYSA-N 482.635 2.395 30 10 JEEE C#CCN(CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC1(S(C)(=O)=O)CCC1 1705607328 ZBDIDFLTJOOFOA-UHFFFAOYSA-N 462.572 2.398 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cn(CCCCC)nc2C)CC1 1705631345 BALQXRSBXIVAND-UHFFFAOYSA-N 452.607 2.013 30 10 JEEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCS(=O)(=O)CC2CC2)CC1 1705642537 WZTORGZLOLGRGX-UHFFFAOYSA-N 471.627 2.054 30 10 JEEE C=C(C)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1705729559 FUMPTKSFJRZUGA-UHFFFAOYSA-N 473.994 2.135 30 10 JEEE C=C(C)COCCn1c(-c2ccc(CC)cc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1705731802 CYHMEGKGJHDVDZ-UHFFFAOYSA-N 466.586 2.027 30 10 JEEE C=CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)CC(=O)N1CCOCC1 1705816802 TTXPVOMDHWFFFT-UHFFFAOYSA-N 479.585 2.497 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 1705895067 SKEIIPQVXZFCSZ-HXUWFJFHSA-N 496.612 2.471 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1705896336 JNPZJURDPMPPKM-MRXNPFEDSA-N 482.404 2.023 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 1705903429 VVDYJBSGQSKSDX-LJQANCHMSA-N 455.519 2.057 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1cccc(C(N)=O)c1 1705909342 UINQRYPTDPEDPC-IBGZPJMESA-N 497.600 2.388 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(c2cccc(OC)c2)CC1 1705934172 DAJSAIPKJAJLSO-FQEVSTJZSA-N 473.599 2.223 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@@H](NC(C)=O)C1 1705938157 OTNUIBJFMOCCEN-GOSISDBHSA-N 482.006 2.216 30 10 JEEE C=CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](C(=O)OC)C1 1705942424 RQGQQRRORKSIQO-MRXNPFEDSA-N 450.586 2.267 30 10 JEEE C=CCSCCn1c(Cc2ccccn2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1705947362 JAVXQYHWCXQAKN-DENIHFKCSA-N 469.659 2.172 30 10 JEEE CC(=O)N1CCCN([C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCC(C)(C)O)C[C@H]2C)CC1 1705982227 CMKDCUXADCEGJW-AUSIDOKSSA-N 479.629 2.357 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@H]1CN(CC(C)C)CCO1)[C@@H]1CCS(=O)(=O)C1 1722361960 LBNJYJQIAOJPLF-FGZHOGPDSA-N 485.654 2.237 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCc1nccs1)[C@H]1CCS(=O)(=O)C1 1722363058 QLCKNORRYJMEJR-KRWDZBQOSA-N 457.581 2.280 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Cl)n1C[C@H]1CCCCS1(=O)=O)[C@H]1CCS(=O)(=O)C1 1722364104 XITJEDIOCHOHSE-DLBZAZTESA-N 497.042 2.193 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@H](C)SC)[C@H]1CCS(=O)(=O)C1 1722370640 PPKXXVXOXRZRKZ-RDJZCZTQSA-N 452.577 2.374 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CC(F)(F)CO1)[C@H]1CCS(=O)(=O)C1 1722371345 VKLFECKWPPONCO-BSDSXHPESA-N 486.585 2.248 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccc(Br)cc2)n1C[C@]1(C)COCCO1 1722386560 CCTWXWQYGRWFDQ-OAQYLSRUSA-N 459.344 2.498 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCCn2ccnc21 1722390195 PIYGQBPYXAMOAF-OAQYLSRUSA-N 491.621 2.432 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@@]2(C)CN(C)C2=O)CC1 1722433907 GNLLUTIRNXRAKK-JOCHJYFZSA-N 471.403 2.250 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCS(=O)(=O)CC=C)CC1 1722442802 CSUNWAONGFWJBY-UHFFFAOYSA-N 476.002 2.165 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1722536150 CALSTFNMYFMBAG-YMPZKCBVSA-N 474.650 2.144 30 10 JEEE C=CCCOCCn1c(-c2ccccn2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1722626050 HFROZAHQLUGNQE-UHFFFAOYSA-N 453.591 2.067 30 10 JEEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCCN1CC 1722679511 CXFWIBGNOQBHQS-GOSISDBHSA-N 451.575 2.315 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1722693745 ZBNBCQNQOKVXOW-UHFFFAOYSA-N 454.575 2.339 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N(C)C1CCC(NC(C)=O)CC1 1722694847 KNIFVASKFYPVOO-UHFFFAOYSA-N 470.574 2.148 30 10 JEEE CO[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1)C(C)C 1729875883 DUZNAIDIDGVEHG-PGRDOPGGSA-N 465.602 2.277 30 10 JEEE C#C[C@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CC1(NC(=O)OC(C)(C)C)COC1 1740556562 UQCUCPLDHBGFQB-KRWDZBQOSA-N 465.558 2.268 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2C[C@H]2CC(F)(F)CO2)c1 1740562604 LPTLONSJXVIWMH-QGZVFWFLSA-N 453.453 2.216 30 10 JEEE C#CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1740582052 JUVQGVILLWPLGP-UHFFFAOYSA-N 451.531 2.011 30 10 JEEE C#CCN(c1nnc(COCC)n1C[C@H](CC)N1CCc2ccccc2C1)[C@@H]1CCS(=O)(=O)C1 1740627259 FTRGNWMFCNOECU-XZOQPEGZSA-N 485.654 2.278 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C)Oc2ccc(Cl)cc2)CC1 1740705400 GFFOHKAXNWEXEX-JXFKEZNVSA-N 484.988 2.316 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCN2CCOC[C@H]2C)CC1 1740707040 MFKBHVIHEGUZJX-LJQANCHMSA-N 485.032 2.209 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@](C)(C(=O)NC)C1 1740754531 UFYAXXXWKGYJJF-WWEVIYMKSA-N 487.626 2.292 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@H](C(N)=O)C1 1740755380 ZYBPIYDTNMGNGV-FTRWYGJKSA-N 471.558 2.264 30 10 JEEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 1740886089 VLZVXGUWKBURIU-ICSRJNTNSA-N 458.607 2.297 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1740955422 UISZJKFOJSZSML-UHFFFAOYSA-N 479.459 2.366 30 10 JEEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCc2ccc(OC)cc2C1 1740963570 OPQNUOCBHWYAMT-UHFFFAOYSA-N 466.567 2.143 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC2(S(C)(=O)=O)CCC2)C1 1740971956 ASGKATYRAFAJCN-GCJKJVERSA-N 468.620 2.067 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1740987372 FOIQQQZVDYXILN-IXFSTUDKSA-N 471.583 2.190 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](C)[C@H](C)C1 1740988038 RPCVOEJWNMICLA-IAGOWNOFSA-N 466.629 2.432 30 10 JEEE C[C@H](C#N)CN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1nccn1C(F)F 1741129648 GSJXMAOOCYLDNM-CYBMUJFWSA-N 453.457 2.428 30 10 JEEE CC(C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC(=O)NCCc1ccccc1 1741371589 FKWUTOOUZSGBNA-LJQANCHMSA-N 473.585 2.137 30 10 JEEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)CC(=O)NC(C)(C)C 1748703569 SSNPYIYHCSQCEN-UHFFFAOYSA-N 474.631 2.350 30 10 JEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@H](C)c2nccs2)CC1 1748718786 SDKPYYGCQFZOSW-QZTJIDSGSA-N 462.645 2.323 30 10 JEEE C#CCN(c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@H](CC)OC)[C@H]1CCS(=O)(=O)C1 1748808286 JGCKEJOJGTWPKV-RBUKOAKNSA-N 468.583 2.387 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CCC1(O)CCC1)[C@H]1CCS(=O)(=O)C1 1748820102 ZDSZUZZWEXJOCJ-INIZCTEOSA-N 464.538 2.079 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cc(C)no1 1748892281 MUAAISZWAKFKNZ-LJQANCHMSA-N 454.531 2.394 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CC(C)(C)N2C[C@@H](C)O[C@H](C)C2)CC1 1749001473 SOPMNIRPQLGPFM-RTBURBONSA-N 458.651 2.429 30 10 JEEE C#CCSCCn1c(CC(C)C)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1749037359 BQIBGNIYJLCUCP-NHCUHLMSSA-N 460.692 2.470 30 10 JEEE C=C(Br)Cn1c(N2CCc3nc(O)c(C#N)cc3C2)nnc1[C@@]1(OCC)CCOC1 1749112074 ASWMQXXYKVOJRP-HXUWFJFHSA-N 475.347 2.374 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCN(C)c2ccccc2)CC1 1749304166 WLTIIHXGBSQVTQ-NRFANRHFSA-N 474.631 2.294 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cccnc2OCCC)CC1 1749342437 FPQCLGKTQOHCFI-HXUWFJFHSA-N 490.630 2.246 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cccc(C(=O)NC)c2)C1 1749693077 FLJCMAIUCUSPHV-LJQANCHMSA-N 461.526 2.115 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc4cccnc34)n2CCS(=O)(=O)N(C)C)C1 1749704195 XWJSZSOAKFPPTM-GOSISDBHSA-N 456.572 2.166 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@H](C)C1 1749735716 VDRDUMOGQCXREZ-SFHVURJKSA-N 459.620 2.289 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN(C(=O)OCc2ccccc2)CC1 1749738394 LXKVDQSSIMHSJN-UHFFFAOYSA-N 473.599 2.290 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H](C)N1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1760185439 XCHDYTDEWIOLNU-WOJBJXKFSA-N 458.632 2.031 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H](CC)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1760186783 ARFCLAYJKZDTRB-SJORKVTESA-N 476.603 2.203 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1ccc(COC)cc1)[C@@H]1CCS(=O)(=O)C1 1760186965 BNRRZZKRNGYTOK-OAQYLSRUSA-N 451.552 2.162 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1oc2ccccc2c1C 1760232909 FQFSCMSGHKRHBB-FQEVSTJZSA-N 457.556 2.173 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(OC)cc2)n1CC1(NC(=O)OC(C)(C)C)COC1 1760245418 CIJPLQIVZYBKNP-UHFFFAOYSA-N 471.558 2.333 30 10 JEEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1760307865 WWHCMPHPAABSGS-INIZCTEOSA-N 466.384 2.484 30 10 JEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1760440418 JOKPXFCWCIXQMV-MSOLQXFVSA-N 455.625 2.361 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(Cc2csc(CC)n2)CC1 1760553970 NMRGYTCZAKAWCE-UHFFFAOYSA-N 450.634 2.097 30 10 JEEE CN(c1ccc(NS(=O)(=O)c2ccc3c(c2)CC(=O)N3)cn1)S(=O)(=O)c1ccccc1C#N 1858270349 ZBHFTFNYZDGCLE-UHFFFAOYSA-N 483.531 2.074 30 10 JEEE C=CCOc1ccccc1OCC(=O)Nc1nc(N(C)CCCC)nn1[C@@H]1CCS(=O)(=O)C1 1870035484 DUSBCSCNTZEUJH-QGZVFWFLSA-N 477.587 2.456 30 10 JEEE COCCCN1C(=O)c2ccc(C(=O)Nc3c(C#N)nnn3-c3cccc(N(C)C)c3)cc2C1=O 1870141899 PNTMSGUJMYDMHM-UHFFFAOYSA-N 473.493 2.090 30 10 JEEE C=CCn1cc(OCC(=O)NCc2ccccc2OC)c(=O)cc1CN1CCN(C(=O)OCC)CC1 1870640906 FHJNITJWOIOFNQ-UHFFFAOYSA-N 498.580 2.012 30 10 JEEE COc1ccc(CCc2nnc(SCC(N)=O)n2/N=C/c2ccc(C(=O)O)cc2)cc1OC 1874219644 WNWPHLPGHHZCAJ-WYMPLXKRSA-N 469.523 2.238 30 10 JEEE CCN(CC)c1ccc(/C=N/n2c(SCC(N)=O)nnc2[C@H]2CC(=O)N(C(C)C)C2)cc1 1874337812 KNOPNIGMCSCFQF-KZKMUKRCSA-N 457.604 2.308 30 10 JEEE COc1cc(/C=N/n2c(CNC(C)=O)nnc2SCC(=O)Nc2ccccc2F)ccc1O 1874431082 KCPCWHNGSRRCSK-YSURURNPSA-N 472.502 2.381 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O 2069351629 KGVLOEGDMOEFEW-ULQDDVLXSA-N 454.568 2.450 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](CC(=O)NCc2cccc(B3OC(C)(C)C(C)(C)O3)c2)[C@@H](O)C1 2180980806 MRXHXVKPYRNXIK-HKUYNNGSSA-N 460.380 2.220 30 10 JEEE CC(C)(C)OC(=O)N1CC(OCC(=O)NCCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2180981243 RVSFUZYYNVTNCQ-UHFFFAOYSA-N 460.380 2.280 30 10 JEEE CC(C)(C)OC(=O)NCC=CCNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2247880113 AXLOAWPRBDLCDL-UHFFFAOYSA-N 458.411 2.407 30 10 JEEE CC(C)(C)OC(=O)NCCNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2247951762 KIFVEWKFJMIZCP-UHFFFAOYSA-N 460.789 2.442 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCOC[C@@H]1NC(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2255538506 LRSQMCNAXJISQT-CVEARBPZSA-N 452.382 2.459 30 10 JEEE CC(C)(C)OC(=O)NCCCOCCNC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2255644372 ILIMXBWCNQUAEF-UHFFFAOYSA-N 455.386 2.104 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@](CO)(NC(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2255877662 LIBPVKYYDUDGDU-NRFANRHFSA-N 452.382 2.149 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H]1C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2256623154 BIMFIEYCZVYWIA-STQMWFEESA-N 455.361 2.406 30 10 JEEE C[C@H](NC(=O)[C@H](CO)CNC(=O)OC(C)(C)C)c1cscc1B1OC(C)(C)C(C)(C)O1 2256677174 BBYAIKAMVFPVDB-KBPBESRZSA-N 454.398 2.358 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)[C@H]2C[C@H](B3OC(C)(C)C(C)(C)O3)C2)CC1 2267123621 WAFMBKJTGWTUCV-WKILWMFISA-N 451.373 2.054 30 10 JEEE CC(C)(C)OC(=O)N1CC2(C[C@@H](O)CN2C(=O)c2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2267170960 CUQNRZKVWNPGCO-CQSZACIVSA-N 464.393 2.244 30 10 JEEE CC(C)(C)OC(=O)N1CC=C[C@@H]1CNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2267468841 NRJBWTZCGLVFLC-CQSZACIVSA-N 485.437 2.037 30 10 JEEE C[C@H]1CCN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1NC(=O)C(F)(F)F 2267712280 DECIVEJXLIFONE-AAEUAGOBSA-N 482.355 2.125 30 10 JEEE Cc1cc(CNC(=O)C2(CO)CN(C(=O)OC(C)(C)C)C2)sc1B1OC(C)(C)C(C)(C)O1 2268637983 PUBPVNHFXQXGAK-UHFFFAOYSA-N 466.409 2.201 30 10 JEEE C[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)N(C(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)C1 2281830513 MSHKZFMYSXGSHG-HZPDHXFCSA-N 462.400 2.485 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1COCCN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2Cl)C1 2282005603 QGVZTUCLVJVRAV-OAHLLOKOSA-N 481.786 2.400 30 10 JEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)CCN1C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2282171757 ODFRSSXPFKGQHB-UHFFFAOYSA-N 480.392 2.009 30 10 JEEE CC(C)(C)OC(=O)NCC1(NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)CCOCC1 2282185241 DKYKJSAMRWMGSN-UHFFFAOYSA-N 461.368 2.185 30 10 JEEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](CCNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)O1 2282200059 JIFMIDPYTDXYEL-WBVHZDCISA-N 463.384 2.458 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2F)C1 2282398090 WGQXUVRLUGXSPA-PBHICJAKSA-N 464.343 2.083 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1[C@H]2CC[C@H]1N(S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1)C2 2282488422 AXFJJKIEXCBSRC-IMJJTQAJSA-N 499.464 2.260 30 10 JEEE Cn1cc(C(=O)NC[C@@H]2N(C(=O)OC(C)(C)C)CCC2(C)C)nc1B1OC(C)(C)C(C)(C)O1 2282542099 BZZIYWFRMUGVCJ-INIZCTEOSA-N 462.400 2.485 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](CNC(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)C[C@@H]1O 2282715755 KYEFSMUSJUAFKF-LZQZEXGQSA-N 460.380 2.380 30 10 JEEE CC(C)(C)OC(=O)N1CCC(Oc2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)(C(N)=O)CC1 2283013020 TURXLNXDWJPBRY-UHFFFAOYSA-N 461.368 2.202 30 10 JEEE CO[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2283926689 RAOVJYJWYUGJPE-CABCVRRESA-N 481.424 2.331 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CCS(C)(=O)=O)C(=O)Nc1ccccc1B1OC(C)(C)C(C)(C)O1 2283975441 RGCPLYKIIKYKGE-QGZVFWFLSA-N 482.408 2.252 30 10 JEEE CN(Cc1ccccc1B1OC(C)(C)C(C)(C)O1)C(=O)[C@@H]1COC[C@@H]1NC(=O)OC(C)(C)C 2284026009 AIZIWSOVGYQDLW-MJGOQNOKSA-N 460.380 2.484 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@H](C(=O)N3CCC(=CB4OC(C)(C)C(C)(C)O4)C3)O[C@H]2C1 2284118410 KDKKRHIXQWZPTF-OKZBNKHCSA-N 464.368 2.180 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N1CCOC[C@@H](NC(=O)OC(C)(C)C)C1 2285215501 VNCJTIJCVCHHAI-KRWDZBQOSA-N 461.368 2.055 30 10 JEEE COc1cccc(C=Nn2c(CNC(C)=O)nnc2SCC(=O)N[C@@H](C)c2ccccc2)c1O 2330793164 FXPXDDUZPUVKPY-HNNXBMFYSA-N 482.566 2.480 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](CO)[C@H](NC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)CC1 2362565249 BSJHXAZOBABDKH-GDBMZVCRSA-N 481.424 2.180 30 10 JEEE COc1ccc(NC(=O)[C@@H]2C[C@H](O)CN2C(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2365285616 WYJZLPSDZIJEQN-RDJZCZTQSA-N 462.352 2.303 30 10 JEEE CCOC(=O)CSc1nnc(N)n1[C@@H](CC)C(=O)Nc1c(C#N)cnn1-c1ccccc1 40174456 STZCNNVCAGJQOB-HNNXBMFYSA-N 454.516 2.163 30 10 JEEE COc1ccc(OC)c(/C=C2\Oc3c(CN4CCN(CCO)CC4)c(O)cc(C)c3C2=O)c1 41514047 OTBGPAODFWTBMV-HMAPJEAMSA-N 454.523 2.444 30 10 JEEE COc1ccc(CCNC(=O)CSc2n[nH]c(N/N=C/c3cc(OC)ccc3O)n2)cc1 58997988 CFWHDCUUTVEVID-FSJBWODESA-N 456.528 2.425 30 10 JEEE CCCCCCCCCCOC(=O)C[C@@H]1C(=O)NCCN1C(=O)CCC(=O)OCCOC 100226700 LJUBXBNSHDAEIB-LJQANCHMSA-N 456.580 2.357 30 10 JEEE COc1cc([C@H]2/C(=C(/O)c3ccc(C)o3)C(=O)C(=O)N2CCN2CCOCC2)cc(OC)c1OC 102509002 NASHGJLBPWQSGU-AGGMBTAESA-N 486.521 2.368 30 10 JEEE CCOc1cc([C@@H]2/C(=C(/O)c3ccc([N+](=O)[O-])cc3)C(=O)C(=O)N2CCOCCO)ccc1O 103117255 QVFPPWKOGKXKEA-GOBJLOIFSA-N 472.450 2.130 30 10 JEEE COC(=O)c1ccc([C@H]2/C(=C(/O)c3sc(C)nc3C)C(=O)C(=O)N2CCN2CCOCC2)cc1 103225067 FVOOWKFFTOMOPT-HQMFNGAOSA-N 485.562 2.300 30 10 JEEE C#CCN(Cc1ccc(F)cc1)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 109371761 WTPNEQQIIFVQGC-UHFFFAOYSA-N 451.545 2.253 30 10 JEEE CCN(CC)S(=O)(=O)c1cccc(NC(=O)CON=CC(=O)Nc2ccc3c(c2)OCCO3)c1 254315571 AMZUIHMYRDXTKF-UHFFFAOYSA-N 490.538 2.068 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)N3CCCN(S(=O)(=O)c4ccccc4)CC3)cc2C1=O 508037795 LEKMZCPUTVUOPF-UHFFFAOYSA-N 453.520 2.005 30 10 JEEE C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 609437995 UNXOPTOYOZIPTA-QGZVFWFLSA-N 497.602 2.424 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2ccc(S(=O)(=O)C[C@@H]3CCCO3)cc2)ccc1F 731337967 JWBRDLAAAGDJSI-KRWDZBQOSA-N 482.555 2.495 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)N3CCN(Cc4ccccc4C)CC3)cc2C1=O 754574421 RSSHKEMMPZHNPY-UHFFFAOYSA-N 461.518 2.278 30 10 JEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(C)n(C3CC3)c2C)c(=O)n1-c1ccccc1C#N 917799992 VAMUXEKZZGSWSS-UHFFFAOYSA-N 469.570 2.329 30 10 JEEE CC(=O)c1ccc(NC(=O)CSc2nnc(NN=C(C)c3ccc4c(c3)OCO4)n2N)cc1 1084473673 AGRHORXLHGKVHK-UHFFFAOYSA-N 467.511 2.490 30 10 JEEE Cc1cc(O)cc(=O)n1CCC(=O)N1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 1144758206 BUEXUYDVVKSADT-IBGZPJMESA-N 459.344 2.424 30 10 JEEE C=C(C)C[C@H](CO)NC(=O)c1cc(Br)cn(CCNC(=O)OC(C)(C)C)c1=O 1175922627 CYNKFJCDIJNGJU-CQSZACIVSA-N 458.353 2.192 30 10 JEEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)n1 1226636259 GZRKBZLHVOBJQV-OAQYLSRUSA-N 459.497 2.144 30 10 JEEE C#CCN(C)c1nnc(-c2cc(F)ccc2Br)n1CCNS(=O)(=O)Cc1ccon1 1286364774 JDNPGHNHWCCNQY-UHFFFAOYSA-N 497.350 2.024 30 10 JEEE C#CCN(c1nnc(-c2ccc(Br)cc2)n1CC1(O)CCC1)[C@H]1CCS(=O)(=O)C1 1286383338 MCWPIXNAPDXKKO-KRWDZBQOSA-N 479.400 2.249 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Cl)n1CCCO[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1286386909 JLKMZSPSOCRZCG-ZWKOTPCHSA-N 479.002 2.421 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1CCCOC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1286387826 IRCNBSKMNAKBTK-HNNXBMFYSA-N 486.472 2.227 30 10 JEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1C[C@](C)(O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1286391935 FZRRBIOIBAXPGT-KNQAVFIVSA-N 463.003 2.310 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCc1nnc2n1CCCCC2 1286398149 URADUDZXGCTGST-UHFFFAOYSA-N 490.999 2.495 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCc2cc(F)cc(F)c2)CC1 1286488444 NQKHGRDKUACPRR-VWLOTQADSA-N 487.551 2.417 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2C[C@@H]2CN(CC(C)C)CCO2)CC1 1286491346 NXVJTQQJSHPEAQ-VWLOTQADSA-N 492.668 2.500 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(OCCC)cc2)CC1 1286494019 KVHFENZKZPQYGM-UHFFFAOYSA-N 478.597 2.203 30 10 JEEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccc1SC 1286508696 KMHLRSFOGQHAMK-SFHVURJKSA-N 495.696 2.336 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCCN2CCCC[C@@H]2C)CC1 1286645470 CWHHBYYZMGRZGO-LEWJYISDSA-N 480.679 2.422 30 10 JEEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCCN(c2ncccc2F)CC1 1286705602 AWGZNOICBOCLHY-UHFFFAOYSA-N 457.554 2.358 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccccn2)n1CC1(O)CCS(=O)(=O)CC1 1286742608 NAXBVGUJRVXXFO-UHFFFAOYSA-N 478.578 2.344 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1286815424 UQAIMMFTJUYWKW-FQEVSTJZSA-N 465.963 2.230 30 10 JEEE CNC(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cnccc2OC)C1 1299094707 DUJRETJPVDHPMH-SFHVURJKSA-N 461.526 2.143 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](c2cccc(F)c2)C1 1300412096 XZTKEQNLTREOBZ-AZUAARDMSA-N 461.563 2.157 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC(C)(C)c1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1300479125 ITPRJVWOYLAXIZ-QGZVFWFLSA-N 475.590 2.160 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2ccccc2F)n1CC1(O)CCCC1)[C@@H]1CCS(=O)(=O)C1 1300485820 ZFQBUTJKKNIIPE-QZTJIDSGSA-N 476.574 2.489 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1CC1([S@](C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1300503839 GHGYKKPZIZNNQE-GTJUCTONSA-N 490.651 2.012 30 10 JEEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H](C)N1CCN(CC)CC1 1300534409 BFJSKUWFXNFGMK-JOCHJYFZSA-N 497.688 2.491 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC[C@H](C(F)F)N2CCOCC2)CC1 1300690878 KUFZJKHAXWHKQU-GOSISDBHSA-N 479.963 2.105 30 10 JEEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2CC2(NC(=O)OC(C)(C)C)COC2)CC1 1300706413 LJDOPWLELCEIDU-UHFFFAOYSA-N 480.613 2.112 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)Oc2ccc(C)cc2)CC1 1300710587 HTXILEFLCXIWHH-HXUWFJFHSA-N 478.597 2.256 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H]2CC(F)(F)CO2)CC1 1300726316 KHMBROSAIGICDH-IBGZPJMESA-N 461.488 2.398 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2Cc2cccc(C(OC)OC)c2)CC1 1300733204 UBAQPLYJPVXBQF-OAQYLSRUSA-N 467.570 2.435 30 10 JEEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1300823393 GFGDUZQMMVZORB-UHFFFAOYSA-N 474.425 2.263 30 10 JEEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1300950338 AFFGQSMPXGRFMN-OAQYLSRUSA-N 454.600 2.340 30 10 JEEE C=CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCNC(=O)C(C)(C)C 1301305646 JPBXVHNXJYBUMT-UHFFFAOYSA-N 453.635 2.427 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCN(c2nccc(OCC)n2)CC1 1301489877 FUJLFAOVRHHHRX-UHFFFAOYSA-N 476.585 2.325 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1301518695 JFHBMHNDSBCFDB-QGZVFWFLSA-N 493.655 2.285 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCC(C)(c2nc(C)no2)CC1 1301589142 OECXQSLREGNKSW-KRWDZBQOSA-N 464.592 2.370 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccn(-c2ccc(F)cc2)n1 1301952158 HRYADVDZWJAENR-JKSUJKDBSA-N 474.566 2.052 30 10 JEEE CC(C)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCCS2(=O)=O)[C@H](C)C1=O 1303185462 DEEJFNMYXGVSSQ-WIYYLYMNSA-N 484.626 2.477 30 10 JEEE Cc1nnc(CCn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)s1 1304778274 GNVWQYRXOWERRU-QGZVFWFLSA-N 457.585 2.233 30 10 JEEE C#CCOc1ccc(CNC(=O)N2CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C2)cc1 1312736647 OMSOIDOBLUKWLV-LJQANCHMSA-N 458.559 2.261 30 10 JEEE CNC(=O)CC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCOC[C@H]2OC)CC1 1315023292 CEGXHNTUTAAJKH-RBBKRZOGSA-N 482.585 2.133 30 10 JEEE CS(=O)(=O)CC1(Cn2c(-c3cccc(Br)c3)nnc2N2CCO[C@@H](C#N)C2)CC1 1316341188 DJXIHSBVFGJZPR-INIZCTEOSA-N 480.388 2.261 30 10 JEEE C=CCC1(C(=O)N2CCN(S(=O)(=O)c3ccc(C(=O)OCC)cc3)CC2)CCOCC1 1355129397 COJJPOQPDCQJPG-UHFFFAOYSA-N 450.557 2.069 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC1(O)CC1)[C@@H]1CCS(=O)(=O)C1 1358956631 IRQMJONDOVYJQD-NVXWUHKLSA-N 464.975 2.223 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1CCCCN1CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1358960360 CQNMHBVVEHFLMF-IFMALSPDSA-N 470.643 2.479 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@@](C)(O)CC)CC1 1359046922 KWHAXRZJTXSWLL-VWLOTQADSA-N 453.587 2.199 30 10 JEEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1359077942 OPRLMYOCFGPHJM-KXBFYZLASA-N 469.384 2.396 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCNC(=O)CC1 1359090331 ZDVWUHAKMHPIJH-NQIIRXRSSA-N 452.559 2.455 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cc(Br)cn2C)nnc1N1CCS(=O)(=O)CC1 1359092540 BWPAXWVAIJNYDG-RHSMWYFYSA-N 484.420 2.262 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCSCC1 1359255470 ZKVXIZOZCYOXMF-FQEVSTJZSA-N 491.683 2.430 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1359296092 WSRJLDAWJFBLNM-UHFFFAOYSA-N 474.631 2.060 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 1359297238 JZTSLGYOAQAQKZ-MRXNPFEDSA-N 456.572 2.187 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1359334130 UKBZIWDQGLUFQR-HOTGVXAUSA-N 452.650 2.154 30 10 JEEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccc1C 1359342715 DFUYHTLEBGSPCU-LJQANCHMSA-N 465.645 2.475 30 10 JEEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NCCNC(=O)NC)ccc1Cl 1452071807 WUZKDIUEQKOTCL-UHFFFAOYSA-N 450.948 2.380 30 10 JEEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@@H](O)CO)c1 1456722026 BZZRHOFQWIKJQA-OAHLLOKOSA-N 459.351 2.458 30 10 JEEE C=CCc1cc(CNC(=O)N2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)cc(OC)c1OC 1477658255 SMVQJMKCQCPMLD-INIZCTEOSA-N 451.589 2.436 30 10 JEEE CS(=O)(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCCN(c2nccs2)CC1 1505129164 BAYAZWUGMPBZCU-UHFFFAOYSA-N 471.612 2.425 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(CN2CCO[C@H](C)C2)c1 1507514576 OLCZAWIXOBQHMH-VQTJNVASSA-N 450.587 2.241 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1CCC(=O)N[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1507630272 VYUMCXNKSFYZJC-RBUKOAKNSA-N 457.600 2.185 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1C[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1507639181 JSGLFHXAFXPVRS-UXHICEINSA-N 458.584 2.137 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC(=O)N1CCOCC1 1507663086 RZKIGRYSPMFXQK-SFHVURJKSA-N 451.596 2.453 30 10 JEEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2CCCc2nnc(C)s2)CC1 1507726179 GZWIRVBHDZUMNH-UHFFFAOYSA-N 451.600 2.448 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2cc(F)ccc2OC)CC1 1507734536 YUJWEKHVLABMRJ-UHFFFAOYSA-N 484.576 2.358 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2Cc2cccc(OCCN(C)C)c2)CC1 1507736797 SDGYIQRSMHEMQZ-UHFFFAOYSA-N 475.597 2.228 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CCOC)C(=O)C1 1507793556 BFBJPHYPQUSWJQ-WIYYLYMNSA-N 470.530 2.130 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C)no1 1507999435 NCJQXQKXSWXXDJ-NRFANRHFSA-N 497.581 2.020 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(N(C)C)CCC[C@@H](C)C1 1508020587 PLWHGISJMYFURW-ZRCGQRJVSA-N 480.679 2.300 30 10 JEEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(CC)Cc1ccc(OC)cc1 1508085907 ILWDWZFYSMCSQL-UHFFFAOYSA-N 452.515 2.343 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N(C)CC(=O)Nc1c(C)cccc1C 1508148663 WVZLREZYQRCUGY-GOSISDBHSA-N 461.588 2.422 30 10 JEEE C[C@@](O)(Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@](F)(C#N)C1)c1ccc(F)cc1 1510231488 BOBSWZKDRZCTCY-YADHBBJMSA-N 453.453 2.414 30 10 JEEE CC[C@H](C)NC(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1513178182 BYORBOYVUWFMIR-CMKODMSKSA-N 481.605 2.201 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCNC(=O)c1cccc(O)c1 1539013300 MUHMEGINXPOCRI-IBGZPJMESA-N 488.596 2.436 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H](Cc1ccccc1)OC)[C@@H]1CCS(=O)(=O)C1 1539217031 ZTJZAOXBMAKADI-UXHICEINSA-N 453.568 2.158 30 10 JEEE C#CCN(c1nnc(C2CCC2)n1CCCS(=O)(=O)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1539220791 LSTHPQCCVXADOZ-NRFANRHFSA-N 490.651 2.177 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CCCCN1CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1539225117 LYJFGNDACPSWKD-GMAHTHKFSA-N 484.670 2.403 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1539370806 GKSNUYCBCAHJCU-UGKGYDQZSA-N 466.586 2.193 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCCN2CCCCC2=O)CC1 1539428482 RUYKCXIVPZIPBG-UHFFFAOYSA-N 477.613 2.305 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2sc(C)nc2C)CC1 1539434362 JGAAOBZOAZSUOJ-UHFFFAOYSA-N 470.624 2.225 30 10 JEEE C=C(C)CN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1CCCN1S(C)(=O)=O 1539668680 CATKMCZEDNVJGS-HXUWFJFHSA-N 488.662 2.279 30 10 JEEE C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1539686133 IBOYWQGZXWAZSJ-INIZCTEOSA-N 499.435 2.243 30 10 JEEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1539947295 KAIKMTIUAMOBLE-SFHVURJKSA-N 453.547 2.109 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1540874296 AZRBDBGYVFZSQK-RTWAWAEBSA-N 455.559 2.160 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc3cccnc23)nnc1N1CC[C@@](C)(C(=O)NC)C1 1540899863 CODGZIGOQOUKNO-HSZRJFAPSA-N 468.583 2.057 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@H](C)O[C@@H](C)C1 1540900027 IZBPFONKDZKWNL-HOTGVXAUSA-N 450.561 2.177 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N(C)CC(=O)Nc1c(C)cccc1C 1540902270 FLWXJZPRIJRRRZ-SFHVURJKSA-N 461.588 2.075 30 10 JEEE C[C@H](CC#N)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1CCN(CCN(C)C)CC1 1541803378 HFJBDRCTTTVKGV-OAQYLSRUSA-N 494.692 2.464 30 10 JEEE CCS(=O)(=O)N(C)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CCOC2)C1 1548329733 GTOUPELWDASFRF-QHCPKHFHSA-N 488.614 2.017 30 10 JEEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(SC)CCOCC2)CC1 1555584514 HZNIZRSLTSIYQR-UHFFFAOYSA-N 456.616 2.497 30 10 JEEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCN(C)C[C@@H]3CNC(=O)OC(C)(C)C)n[nH]2)c1C 1566274172 FEWUTTJMLQELNM-KRWDZBQOSA-N 457.579 2.357 30 10 JEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(OC)c(F)c1 1587766492 VTAPKRPYDGPVEH-FQEVSTJZSA-N 479.578 2.199 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1Cc1conc1COC)[C@H]1CCS(=O)(=O)C1 1588041221 VVQGPPWLSIQANT-FQEVSTJZSA-N 469.567 2.317 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2ccccc2C)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1588148952 BVDCRPGUVJNHHN-XZOQPEGZSA-N 465.623 2.454 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2Cc2nnc(CC)s2)CC1 1588954448 HTIURRMWIXUIHV-UHFFFAOYSA-N 455.613 2.358 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)cc2)n1CC1(O)CCS(=O)(=O)CC1 1589242971 RLFHXOLZULDEOD-JOCHJYFZSA-N 458.584 2.097 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(S(=O)(=O)N(CCC)CCC)CC1 1593878998 NKDMIIDSKYXIHV-GOSISDBHSA-N 475.059 2.413 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCSC2(C)C)CC1 1594097296 QCGXFXAGMFSCGR-IAGOWNOFSA-N 455.650 2.299 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccccc2OCC)CC1 1594241496 RZOBAMUCHPJAND-NRFANRHFSA-N 475.615 2.460 30 10 JEEE C=CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1594582810 UTKFGBFOQSERDR-AZUAARDMSA-N 472.615 2.267 30 10 JEEE C=CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1c(C)nn(C)c1C 1595276076 WOSJJOQKUOEMSY-UHFFFAOYSA-N 458.588 2.386 30 10 JEEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1595335581 VWJZWEDSQRZYJG-QFIPXVFZSA-N 461.588 2.156 30 10 JEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2c(F)cc(F)cc2[C@H]1C 1595405368 MEUQGKZWNLZPGS-ACJLOTCBSA-N 453.515 2.199 30 10 JEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccc1N1CCCC1 1595405635 VMDLMQIFQCFOSM-FQEVSTJZSA-N 460.604 2.034 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1595476600 LYARHDJMNNIUIZ-HKUYNNGSSA-N 470.549 2.451 30 10 JEEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCC(CN2CCOCC2)CC1 1595576908 BNKHYTQZJKDPTB-UHFFFAOYSA-N 468.602 2.016 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCNC(=O)C(C)C)C1 1595715527 XRDXGQHDMKPWKD-INIZCTEOSA-N 451.531 2.147 30 10 JEEE COc1cc(OC)c2c(c1Cl)O[C@]1(C(=O)/C(=C\NCCNc3ncccn3)C(=O)C[C@H]1C)C2=O 1615248063 UGJVQIMIWDAHEF-SVNGKQBDSA-N 486.912 2.225 30 10 JEEE CN(Cc1ncnn1CC(F)F)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCCS1(=O)=O 1618025529 GSTLBTXNIRPQLJ-QGZVFWFLSA-N 490.540 2.277 30 10 JEEE N#C[C@H]1CN(c2nnc(CN3CCCC3=O)n2CCc2cc(Br)ccc2F)CCO1 1620356542 BGPDAEYGYOKJAI-INIZCTEOSA-N 477.338 2.274 30 10 JEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCCCN3Cc3ccccc3)CC2)cc1 1625121013 BQQFAADIADMPES-HSZRJFAPSA-N 452.580 2.446 30 10 JEEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1 1626767981 HQKWCTMWNURWCB-QFIPXVFZSA-N 454.571 2.153 30 10 JEEE COc1ccccc1COC1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 1636350028 DWRPREVSIJDMHB-QGZVFWFLSA-N 457.552 2.441 30 10 JEEE C#CCN(C(=O)N[C@@H](CCSC)C(=O)N(C)OC)C1CCN(C(=O)OC(C)(C)C)CC1 1670860546 RHRTWMZASOSRSX-KRWDZBQOSA-N 456.609 2.172 30 10 JEEE C#CCN(c1nnc(CC2CCCC2)n1Cc1nccc(C(F)F)n1)[C@@H]1CCS(=O)(=O)C1 1689994380 XEHGTHCIHTWZQU-MRXNPFEDSA-N 464.542 2.413 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2Cc2ccccc2CN2CCC[C@@H]2CO)CC1 1690146365 LZYGALFKOQORQC-RUZDIDTESA-N 492.668 2.447 30 10 JEEE C#CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(N(C)C(C)=O)CC1 1690172830 PBYDUDURRSWGKQ-UHFFFAOYSA-N 482.658 2.266 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1690242637 AFROVTPGNWRSOR-KNQAVFIVSA-N 455.607 2.245 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccn2C)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1690244043 SKMBCWSTPMCBFV-SBHAEUEKSA-N 476.647 2.373 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](c2ccsc2)N(C)C)CC1 1690375911 XAMFGBRYRRPVMB-OALUTQOASA-N 480.660 2.132 30 10 JEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)c1nccs1 1690485549 WLQKVKUBKOCCNK-JKSUJKDBSA-N 454.622 2.274 30 10 JEEE C[C@H](CN1CCCCC1)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1 1692733955 FBXHPBHDBNITAU-HXUWFJFHSA-N 465.602 2.234 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC(=C)Cl)[C@H]1CCS(=O)(=O)C1 1705559848 BNGPPINFLLDHHB-INIZCTEOSA-N 480.974 2.350 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCc1ccc(F)cc1C)[C@@H]1CCS(=O)(=O)C1 1705567797 ZVZSLQKZMKNOKW-PZJWPPBQSA-N 460.575 2.489 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(COc3ccccc3)o2)n1CC(=O)N1CCOCC1 1705577555 KWRHOJPSGNAKNQ-UHFFFAOYSA-N 459.506 2.049 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2CCCO[C@@H]2CCOC2)CC1 1705645740 CSERUJPMEHSTFH-OAQYLSRUSA-N 451.571 2.415 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCc2cccc(C(=O)N(C)C)c2)CC1 1705649079 JPGHSVLQAZKDFZ-UHFFFAOYSA-N 487.608 2.194 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@]1(O)CCSC1 1705670033 GKRBMXUEVRDBKK-YADHBBJMSA-N 475.640 2.056 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(OCC(N)=O)CC1 1705694626 DBKGBQLHKBJLKY-UGKGYDQZSA-N 450.543 2.269 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CCc2ccccc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1705706133 QFHTWFCDMFITKA-LADGPHEKSA-N 494.640 2.218 30 10 JEEE C=C(C)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCN(CCOC)C(=O)C1 1705724519 VOEAEEMBNWYQIC-UHFFFAOYSA-N 465.558 2.107 30 10 JEEE C=CCCOCCn1c(-c2cccn2C)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1705828472 OSGKVIDYAMPJLV-GOSISDBHSA-N 452.563 2.274 30 10 JEEE CCN1CCN(CCCn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H](CNC(C)=O)C2)CC1 1710298384 BKPUVFPAVMTCND-QHCPKHFHSA-N 478.645 2.197 30 10 JEEE CN(C)C1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(CC(N)=O)CC2)CCC1 1711003688 BBCKBFRDVAOGIM-UHFFFAOYSA-N 451.575 2.305 30 10 JEEE COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cccnc2OC)C[C@@H](C)O1 1712303012 CSRBQJGQSHKJFZ-DYESRHJHSA-N 464.526 2.421 30 10 JEEE C#CCCCCn1c(CN2CCCC2=O)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 1722318481 PAJKTNIFKKCQOE-QGZVFWFLSA-N 458.588 2.049 30 10 JEEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1722322078 NMYNGRKTDDHBOF-UHFFFAOYSA-N 452.559 2.278 30 10 JEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cccc(C(=O)NC)c1 1722355590 ZBVIVUIVQPVFLY-IBGZPJMESA-N 468.558 2.064 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@@H](C(C)C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1722372565 ZESXEVHIFAWRJF-ZEQRLZLVSA-N 499.681 2.047 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@H](C)CN1CCOCC1 1722380139 FLTIBEOSLFCCCL-OAQYLSRUSA-N 487.608 2.106 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H]1CN(CC(C)C)CCO1 1722423985 XBYKZQIURWWFFB-OAQYLSRUSA-N 469.586 2.159 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCC2CC(OCC)C2)CC1 1722440336 CZGYMFKHNLZQKV-UHFFFAOYSA-N 479.585 2.096 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc3cccnc23)nnc1N(C)CCNS(C)(=O)=O 1722493954 AXCRBRWXTWXPFI-NQIIRXRSSA-N 470.599 2.460 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCCSC 1722699333 UKGUITKAEWIOCZ-MRXNPFEDSA-N 468.624 2.078 30 10 JEEE C=CCSCCn1c(Cc2cccnc2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1722742555 XQLRYUJLZPYINQ-UHFFFAOYSA-N 464.599 2.004 30 10 JEEE CC(C)NC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1723650538 DJLURLZLPZHFQV-YOEHRIQHSA-N 466.464 2.409 30 10 JEEE Cc1nn(C)c(N2CCN(c3nnc(CC(C)(C)C)n3CCc3ccn(C)n3)CC2)c1C#N 1725866738 DYSSLTJPAFJPOV-UHFFFAOYSA-N 450.595 2.083 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCN1CCC[C@H]1C 1727222168 CLFBCJZFTBSAOQ-LJQANCHMSA-N 479.633 2.274 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccccc2F)n1CCS(=O)(=O)N1CCSCC1 1740535282 OZCHMOABJUWORP-DLBZAZTESA-N 481.619 2.394 30 10 JEEE C#CCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1740587869 ZGBDTBXUFTWMMD-FQEVSTJZSA-N 453.572 2.062 30 10 JEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OCc2ccccc2)CC1 1740591755 QQRCQEGDXLPCIS-FQEVSTJZSA-N 471.583 2.052 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CCN1CCOC(C)(C)C1)[C@@H]1CCS(=O)(=O)C1 1740618168 DCNXDGJHNWLDBG-JOCHJYFZSA-N 485.654 2.245 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(Br)c2)n1CC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1740620099 NJCKVXYMPFHHQB-HNNXBMFYSA-N 497.415 2.114 30 10 JEEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1C[C@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1740626722 CEJKHJFZBOYECI-FUHWJXTLSA-N 466.007 2.087 30 10 JEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCO[C@H]1C(C)C 1740637263 WDMZOOVBPRKWJB-ICSRJNTNSA-N 454.600 2.372 30 10 JEEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1740716032 JLFWZXOTMPOHRN-UHFFFAOYSA-N 458.588 2.067 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](CNC(C)=O)C1 1740799211 HZGHNQROUKJTBL-PMACEKPBSA-N 492.621 2.284 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccn(C)n1 1740916341 KJRCVHCEIYLLPR-HXUWFJFHSA-N 465.583 2.221 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N(C)[C@H](C)CS(=O)(=O)CC 1740954278 HRYAVDBBSSZUDR-CQSZACIVSA-N 484.420 2.269 30 10 JEEE C=CCNC(=O)Cn1c(N2C[C@H](O)CC3(CCCC3)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740966545 ZHJNEIHOGBGISJ-CEXWTWQISA-N 488.633 2.482 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1Cc1ccnc(C(F)(F)F)c1 1741917109 BEDPGMJSPBTSBG-GFCCVEGCSA-N 457.482 2.090 30 10 JEEE CCS(=O)(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1Cc1cn2ccsc2n1 1747405433 CSFQHRDSSBUMIX-UHFFFAOYSA-N 455.569 2.445 30 10 JEEE C#CCCCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1748706684 PWIRVYIOQIYGDS-UHFFFAOYSA-N 484.582 2.397 30 10 JEEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCO[C@@H](COC(C)C)C1 1748745912 YZWCIVUKNFQIHE-GOSISDBHSA-N 460.604 2.282 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccc(OCCOC)cc1)[C@H]1CCS(=O)(=O)C1 1748802424 PUNNQKQHIKOULJ-IBGZPJMESA-N 460.600 2.276 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccccc2OC)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1748838732 DUWVQUCXNRNWEB-FPOVZHCZSA-N 467.595 2.231 30 10 JEEE C#CCN(CC#CC)c1nnc(COc2ccc(C)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1748902613 HKXNEXQDPOUTNQ-HXUWFJFHSA-N 455.584 2.052 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H](OC)C(C)C)CC1 1749001253 OAZAFZCAARSGEV-HSALFYBXSA-N 460.623 2.475 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H](C2CC2)N(C)C)CC1 1749003597 OJTCDIFKUTXXIS-QHCPKHFHSA-N 480.613 2.268 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1749141271 XYCGPHBXXXQKNG-ZJSXRUAMSA-N 474.650 2.320 30 10 JEEE C=CCCCn1c(N2CCN(c3c(C#N)c(C)nn3C)CC2)nnc1[C@]1(OCC)CCOC1 1749439672 GFTCOHWBNALLJT-QHCPKHFHSA-N 454.579 2.137 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1749660472 QAFDHEFVKNULIU-UHFFFAOYSA-N 466.502 2.202 30 10 JEEE CC[C@H](C)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1)OC 1752572225 AOIDOOCJACRYHF-ICSRJNTNSA-N 466.590 2.168 30 10 JEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN(C)C(=O)OC(C)(C)C 1760170621 JMSXYGTVUDKEFC-UHFFFAOYSA-N 461.592 2.175 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1CC(O)(CC)CC)[C@@H]1CCS(=O)(=O)C1 1760181507 WIOYMWIWIFJFJP-MRXNPFEDSA-N 498.447 2.224 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H](C)c1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1760185321 VGAGOZBFRRPFJM-MAUKXSAKSA-N 454.556 2.375 30 10 JEEE C#CCN(c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C/C=C/CC)[C@H]1CCS(=O)(=O)C1 1760185757 CMSMZXUYBOTMJB-VANUVFSVSA-N 493.630 2.179 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CC(F)(F)Br)[C@@H]1CCS(=O)(=O)C1 1760188423 PDHGJPSDDCMUDA-CHWSQXEVSA-N 467.336 2.134 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccccc1OC(C)C)[C@@H]1CCS(=O)(=O)C1 1760190283 VDKXZOYBUFJSTI-HXUWFJFHSA-N 468.583 2.141 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(OC)ccc2Br)n1C[C@]1(C)CN(C)C1=O 1760195849 ACYGYORERNUWPS-NRFANRHFSA-N 456.344 2.267 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1OCC[C@H]1C 1760213071 OTMKTCBLUMKROI-WIYYLYMNSA-N 455.584 2.083 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2CCN2CCC[C@@H](C)C2)CC1 1760264469 PLVMHQVFLPDFBF-OAQYLSRUSA-N 452.603 2.353 30 10 JEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2cc(OC)c(OC)c(OC)c2CC1 1760279738 DZDRUFPIMQQWNV-SFHVURJKSA-N 485.610 2.227 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(CCN2[C@@H](C)CC[C@H]2C)CC1 1760313295 LXRGZNRSTIERGW-ACESQOTJSA-N 487.693 2.392 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1760411703 QJTSPVZGMHWYAU-QUCCMNQESA-N 471.650 2.401 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1760519469 FKQAGEAXOORLKF-UHFFFAOYSA-N 451.531 2.176 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCC(c2nc(C)no2)CC1 1760527666 FCLGMSOSSDZRIL-UHFFFAOYSA-N 455.494 2.374 30 10 JEEE CCNC(=O)C(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)Cc1cnn(C)c1 1767185642 FOWDLWUUPDPJRZ-UHFFFAOYSA-N 450.547 2.261 30 10 JEEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1768244679 AGWXSTRTCSIZMS-IBGZPJMESA-N 472.615 2.240 30 10 JEEE N#Cc1cccc(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)NCCCCCC(=O)O)cc2)c1 1858977178 IRNOFTTZTJCYKG-UHFFFAOYSA-N 486.550 2.164 30 10 JEEE C=CCN(CC=C)C(=O)[C@H](Cc1ccc(OC(C)=O)cc1)NC(=O)c1ccc(=O)n(CC)c1 1861981462 ZGEKVLDXDXVQCF-QFIPXVFZSA-N 451.523 2.335 30 10 JEEE CCOC(=O)N1CCN(C(=O)[C@@H](CC)NC(=O)C2CCN([C@@H](C#N)c3cccs3)CC2)CC1 1868795648 MODGJMCESRFDPQ-MOPGFXCFSA-N 475.615 2.220 30 10 JEEE Cc1nc(I)c(NC(=O)C2(C#N)CCOCC2)c(I)n1 2178372553 BBSYJKCKQDOKCO-UHFFFAOYSA-N 498.062 2.253 30 10 JEEE CC(C)(C)OC(=O)N[C@]1(C(=O)N2CC[C@H]3C[C@]3(B3OC(C)(C)C(C)(C)O3)C2)CCS(=O)(=O)C1 2194122488 BBTHVNJYKONHJF-UZQPLGKSSA-N 484.424 2.153 30 10 JEEE CC1(C)OB(c2ccsc2S(=O)(=O)NC2CN(C(=O)OCc3ccccc3)C2)OC1(C)C 2243439489 SNXDRXMAMJGEBX-UHFFFAOYSA-N 478.401 2.347 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NC2CC(NC(=O)OC(C)(C)C)(C(=O)OC)C2)C1 2266530916 YIRUEQNBGSTKTI-UHFFFAOYSA-N 465.547 2.008 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCO[C@H]2[C@@H]1NC(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2266994273 SCYXEGBCFSJAKS-WBQNTZJQSA-N 464.393 2.458 30 10 JEEE CO[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)N(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)C1 2267159545 RMKMZJNKZSNFIC-UONOGXRCSA-N 467.397 2.197 30 10 JEEE Cn1nc(C(=O)N=[S@@](C)(=O)CCNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2267188438 LZHUPEHGAWEAPU-YTTGMZPUSA-N 490.819 2.135 30 10 JEEE CC(C)(C)OC(=O)NC1(CNC(=O)c2ccc(F)c(B3OC(C)(C)C(C)(C)O3)c2)COC1 2267455116 XHXKYSQBAYKLMW-UHFFFAOYSA-N 450.316 2.148 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](NS(=O)(=O)c2ccc(F)cc2B2OC(C)(C)C(C)(C)O2)C1 2267466403 ZUPZXEAQZOGFGT-OAHLLOKOSA-N 470.372 2.413 30 10 JEEE Cc1ccc(S(=O)(=O)N2CC(CNC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2267702666 JYAJNTMVNZUWHX-UHFFFAOYSA-N 466.409 2.439 30 10 JEEE CC1(C)OB(c2csc(S(=O)(=O)N[C@@H](COCc3ccccc3)CC(=O)O)c2)OC1(C)C 2269042002 XJUVHYFQERXJMB-QGZVFWFLSA-N 481.401 2.386 30 10 JEEE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1N(C)C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2281827620 YEFOAEGFTFCFBP-DOTOQJQBSA-N 462.400 2.437 30 10 JEEE Cn1cc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC(C)(C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2281971236 IQTBBICQXWAPLX-OAHLLOKOSA-N 462.400 2.485 30 10 JEEE Cc1c(C(=O)N[C@@]23CC[C@H]2CN(C(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281992129 KBDZFCRQEJHQJV-NPMXOYFQSA-N 460.384 2.157 30 10 JEEE Cn1nc(C(=O)N[C@@H]2CCOC[C@H]2OCc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2282034558 JSAGUHMXWOZBAK-IAGOWNOFSA-N 475.782 2.477 30 10 JEEE Cc1nn(C)c(C(=O)N[C@@H]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2282057707 KNFJMBKXSVENKX-HZPDHXFCSA-N 462.400 2.451 30 10 JEEE CC(C)(C)OC(=O)NCCCN(CCO)C(=O)c1cccc(F)c1B1OC(C)(C)C(C)(C)O1 2282138234 MTXFKVBIXSODTO-UHFFFAOYSA-N 466.359 2.474 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H]2CN(C(=O)c3ncncc3B3OC(C)(C)C(C)(C)O3)C[C@@H]2C1 2282170946 DITAXUDEHICLKL-HOTGVXAUSA-N 458.368 2.105 30 10 JEEE CC1(C)OB(c2ccc(F)cc2C(=O)NC[C@@H]2CNCCN2Cc2ccccc2)OC1(C)C 2282397973 VASLPACLTJVJHS-FQEVSTJZSA-N 453.367 2.329 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H]1C[C@@H]1CNC(=O)OC(C)(C)C 2282495549 NUYYOSBPPDCREW-GDBMZVCRSA-N 482.408 2.186 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2C(NS(=O)(=O)Cc3ccccc3B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2282506848 YLAWMVOVBTUMTB-IAGOWNOFSA-N 478.420 2.271 30 10 JEEE Cn1ncc(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 2282523593 ADLFZUYYEGFXTH-OIISXLGYSA-N 460.384 2.237 30 10 JEEE COc1cc(C(=O)NN2CCN(C(=O)OC(C)(C)C)CC2)ccc1B1OC(C)(C)C(C)(C)O1 2282567309 LZEBEGOSDFNOEG-UHFFFAOYSA-N 461.368 2.192 30 10 JEEE C[C@@H]1CCN(C(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1CNC(=O)OC(C)(C)C 2282578539 SPHLOVMYRQLZCP-CVEARBPZSA-N 462.400 2.342 30 10 JEEE Cn1cc(C(=O)N[C@H]2CC[C@H]3CC[C@H]2N3C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2282580484 ULEOVDAGLUVPRM-BHYGNILZSA-N 460.384 2.380 30 10 JEEE CCON(CCNC(=O)OC(C)(C)C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(O)cc1O 2282973122 YNEOBBQFDOMDIJ-UHFFFAOYSA-N 466.340 2.315 30 10 JEEE CC1(C)OB(c2ccc(O)c(C(=O)NC[C@H]3CN(Cc4ccccc4)CCO3)c2)OC1(C)C 2282981488 YASZHNCBZCAJKF-FQEVSTJZSA-N 452.360 2.322 30 10 JEEE CC(C)(C)OC(=O)N1CC(O)(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(F)cc2Cl)C1 2285927467 YWURICQKVLKYPH-UHFFFAOYSA-N 484.761 2.490 30 10 JEEE COC(=O)c1ccc([C@H]2C(=C(O)c3c(C)nn(C)c3C)C(=O)C(=O)N2CCCN(C)C)cc1 2296612008 VIJJKWGNACLIEU-FQEVSTJZSA-N 454.527 2.197 30 10 JEEE CCS(=O)(=O)N1CCC([C@@H]2CN(c3ccc(C#N)c(C(F)(F)F)c3)C[C@@H]2C(=O)NC)CC1 2297650307 LEFHFGBTRGKWAQ-ROUUACIJSA-N 472.533 2.437 30 10 JEEE Cc1c(C=C2SC(=S)N(CCCC(=O)O)C2=O)c(N2C[C@H](C)O[C@@H](C)C2)n(C)c(=O)c1C#N 2314462276 QRGQJQGBHOODIO-STQMWFEESA-N 490.607 2.245 30 10 JEEE COc1ccc(NC(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2339739167 OOJHOPAXEKUYNX-OAHLLOKOSA-N 450.341 2.209 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(O)cc1O 2359286246 QVELFTOJQVAVLU-XLWVJDPXSA-N 460.336 2.135 30 10 JEEE C[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2362353778 MXNOKPDIKUETQQ-JKSUJKDBSA-N 462.400 2.485 30 10 JEEE Cc1c(C(=O)N[C@@]23CC[C@@H](C2)N(C(=O)OC(C)(C)C)C3)nn(C)c1B1OC(C)(C)C(C)(C)O1 2369673039 XNJLKLRSWLZYHM-WNSKOXEYSA-N 460.384 2.300 30 10 JEEE C=CCn1c(=O)c2ccc(C(=O)N[C@@H](C)CC)cc2n2c(=O)n(CC(=O)Nc3ccccc3)nc12 64581545 AHIAQNIVNDPNEP-INIZCTEOSA-N 474.521 2.164 30 10 JEEE C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC1CCN(c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CC1 204870669 DYQMEAZNKOCDEP-MRXNPFEDSA-N 489.426 2.022 30 10 JEEE C=CCN1C(=O)C(=NNC(=S)Nc2cccc(C)c2)c2cc(S(=O)(=O)N3CCOCC3)ccc21 254385989 FTYSHZLGQSAERT-UHFFFAOYSA-N 499.618 2.239 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)C[S@](=O)CC(=O)c2ccc(NC(C)=O)cc2)nc1C 526898285 RLKAJQWQSXWZKJ-WJOKGBTCSA-N 463.537 2.323 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)C[S@@](=O)Cc2cc(=O)c(OCCC)c[nH]2)nc1C 526899964 CASVTOLSHDGDEA-PMERELPUSA-N 453.542 2.159 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)C(=O)NCCN=c1ncnc2n(C)[nH]c(Br)c1-2 729625508 WIXSLMUSGSHISL-UHFFFAOYSA-N 469.347 2.181 30 10 JEEE Cc1ccc(F)c(-n2c(=C(C#N)C(=O)NC(C)C)sc(=Cc3cnn4ccccc34)c2=O)c1 729669127 JEMLKWHGJDOHPN-UHFFFAOYSA-N 461.522 2.022 30 10 JEEE CC1CCC(C#N)(N(C)C(=O)[C@H](C)OC(=O)c2ccc(CCNS(C)(=O)=O)s2)CC1 927614880 DJXRYHDZGIFHNT-CHWWFWEZSA-N 455.602 2.316 30 10 JEEE C#C[C@H](NC(=O)c1ccc(S(=O)(=O)N[C@H](C)CO)cc1)c1ccc(Br)cc1 1141461497 WWRLESRHVGQAPE-ACJLOTCBSA-N 451.342 2.213 30 10 JEEE COc1cc([C@@H](C)NCC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)ccc1OCCO 1168611267 AKUFRDSDVRZHFZ-IEBWSBKVSA-N 458.584 2.187 30 10 JEEE C#Cc1cccc(NC(=O)CNC(=O)Nc2ccc(C(=O)N[C@H](C)C(=O)OCC)c(F)c2)c1 1201331214 WUKUICRDKFZMHU-CQSZACIVSA-N 454.458 2.249 30 10 JEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CCCN(Cc3ccccn3)C2=O)cc1 1214687912 UTUAKSGZOUEWGM-FQEVSTJZSA-N 457.556 2.201 30 10 JEEE C#Cc1ccc([C@@H](OC(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)C(F)(F)F)cc1 1272442772 GXIIENWBEHRCAD-GOSISDBHSA-N 456.442 2.488 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCCN1CCCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1286390572 AXZMCZQGTWSOLD-BDTNDASRSA-N 477.675 2.453 30 10 JEEE C#CCN(c1nnc(CCOc2ccccc2)n1C[C@@H]1CCC=CO1)[C@@H]1CCS(=O)(=O)C1 1286394666 WHVDVFYBRVGSIV-CTNGQTDRSA-N 456.568 2.219 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2CCCN2C[C@H](C)O[C@@H](C)C2)CC1 1286484096 HMAHDUOIEHLKQQ-SFTDATJTSA-N 470.593 2.251 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CCOCC)[C@@H](CC)C1 1286546714 LGCCJLLANICJCD-FSSWDIPSSA-N 474.650 2.432 30 10 JEEE C=C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC2(NC(=O)OC(C)(C)C)COC2)CC1 1286639041 VWTOEDFCFKGBMI-HSZRJFAPSA-N 463.579 2.380 30 10 JEEE C=CC[C@@H](Cn1c([C@H]2CCOC2)nnc1N1CCN(CC(=O)NCC)CC1)c1ccccc1 1286679650 SBTOVXZVRDACJX-VXKWHMMOSA-N 452.603 2.400 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccc(C)n2)n1C[C@@]1(O)CCS(=O)(=O)C1 1286740855 YEGOLDGPROQLJE-DEOSSOPVSA-N 483.594 2.399 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN(CC)C(=O)OC(C)(C)C)C1 1286809751 KVTXXFRGBJWZDE-ZWKOTPCHSA-N 483.635 2.219 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2CCCNC(=O)C2CCC2)c1 1300333565 AKKAAWYUINBYOW-HXUWFJFHSA-N 464.570 2.145 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cscc1C)[C@H]1CCS(=O)(=O)C1 1300481835 BWXWOGUJZLWQKP-UGKGYDQZSA-N 478.640 2.364 30 10 JEEE C#CCN(c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1300492843 OYKNBXHCMOZNJB-JPYJTQIMSA-N 469.567 2.388 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1CCN(Cc2ccccc2)CC1 1300539008 WNXOLXFZNFXQCZ-HSZRJFAPSA-N 465.623 2.165 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](c1ccco1)N1CCCCC1 1300557219 QXELHEJGMLWHKI-VQTJNVASSA-N 472.615 2.171 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](CC=C)c2ccccc2)CC1 1300700719 UYDNFCXQTJPSII-FGZHOGPDSA-N 453.612 2.295 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C 1300780479 QXYHSJFPGWIZBD-PNLZDCPESA-N 482.651 2.430 30 10 JEEE C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2c(ccnc2O)C1)c1ccccc1 1301002927 AQIBNCHGASPWEM-INIZCTEOSA-N 454.556 2.265 30 10 JEEE C=CC1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1301107539 DVHRHLDESLAIBQ-GOSISDBHSA-N 452.625 2.023 30 10 JEEE C=CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1301468719 MXOCFIKKORAZGA-CVDCTZTESA-N 463.586 2.294 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC(C(=O)c2ccc(F)cc2)CC1 1301491289 OEIYTPFVSQGASM-UHFFFAOYSA-N 451.506 2.219 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1301493203 WJRZSJWYRAHSIA-UHFFFAOYSA-N 472.981 2.022 30 10 JEEE C=CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1301595660 ZHBFPQCATDCTHG-KRWDZBQOSA-N 484.047 2.404 30 10 JEEE Cc1nn(C)c(N2CCN(c3nnc(C(C)C)n3CC3(C(=O)N(C)C)CCCC3)CC2)c1C#N 1304730536 HLXILSMEMMRPPW-UHFFFAOYSA-N 467.622 2.290 30 10 JEEE CN(C)[C@@]1(Cn2c(-c3cccc(C#N)c3)nnc2N(CCS(C)(=O)=O)C2CC2)CCSC1 1314652242 FWESTNLPLTXQHM-JOCHJYFZSA-N 474.656 2.267 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@]1(N(C)C)CCSC1)[C@@H]1CCS(=O)(=O)C1 1358958760 VNRSAKAPZKJSMN-AUSIDOKSSA-N 489.667 2.018 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@@]1(N(C)C)CCSC1)[C@H]1CCS(=O)(=O)C1 1358959921 SEXOPEZDWLENCI-CVDCTZTESA-N 489.667 2.018 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@H]1C[C@H](C)O[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1358965071 NGWHLQGRXKVWDL-YHELAOLJSA-N 457.600 2.094 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1Cc1c(C)nn(C)c1C)[C@H]1CCS(=O)(=O)C1 1358967476 LBIYUXQJIZKWKM-SFHVURJKSA-N 486.573 2.022 30 10 JEEE C#CCN(CC)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(N2CCOCC2)CCSC1 1359013102 KUZSFORXOGSSCZ-DEOSSOPVSA-N 466.611 2.396 30 10 JEEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1359077941 OPRLMYOCFGPHJM-HNAYVOBHSA-N 469.384 2.396 30 10 JEEE C=C(C)COCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1359127863 CIASKCZLSZVMOP-RLAPIPATSA-N 489.642 2.385 30 10 JEEE C=CC1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1359174418 CEEOFZGCNKXBNN-OAQYLSRUSA-N 468.526 2.499 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCOC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1359256399 DYTNBTTYBOXGCX-LEWJYISDSA-N 470.599 2.128 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H]1[C@H]2CCC[C@H]21 1359300746 JHWZZYFTROTSHC-MJQMVNBJSA-N 460.579 2.123 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N(CC)Cc1nc(O)c2ccccc2n1 1359331980 LQZWKAIIWHKAMJ-QGZVFWFLSA-N 486.598 2.448 30 10 JEEE C[C@H](C#N)CN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccc(N2CCOCC2)nc1 1359468208 HASZRFWRGWCXKZ-GOSISDBHSA-N 495.609 2.224 30 10 JEEE C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CC1(N(C)C)CCOCC1 1359481177 HOBVVTSXMUALFN-ZWKOTPCHSA-N 474.631 2.185 30 10 JEEE CC(C)C[C@@H](Cn1c([C@H]2CCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1)N(C)C 1359768868 GRQGAWQLPWGHBI-SFTDATJTSA-N 452.607 2.352 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC1CCN(c2ccncc2)CC1 1360693370 HOALCOXAZFQHFO-MBSDFSHPSA-N 486.646 2.330 30 10 JEEE CCCS(=O)(=O)c1ccccc1S(=O)(=O)CCN1CCc2c(sc(N)c2C#N)C1 1460885602 FWTCVLHQUOAEDS-UHFFFAOYSA-N 453.611 2.218 30 10 JEEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1cccc(C(F)(F)F)c1 1470393452 BCXGFUHKMDXFEX-HLLBOEOZSA-N 459.490 2.327 30 10 JEEE CC[C@H](C)[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1494940598 FWZGFAYNGLQPLC-IATMXGELSA-N 496.612 2.353 30 10 JEEE CCNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC2CCOCC2)CC1 1502460680 BZIQKLJJMQGWSJ-UHFFFAOYSA-N 467.574 2.397 30 10 JEEE COCC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN(C)C(C)C)CC1 1504539143 IBTMISTVVLYSAS-UHFFFAOYSA-N 453.591 2.278 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2Cc2nccc(C(F)F)n2)c1 1507545787 ARXHCIXFOPSIEW-UHFFFAOYSA-N 482.495 2.248 30 10 JEEE C=C(Br)Cn1c(Cc2ccccn2)nnc1N1CCN(c2nccc(OC)n2)CC1 1507788109 NGLPVTJSLTVMLV-UHFFFAOYSA-N 471.363 2.298 30 10 JEEE C=C(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1507828643 KSCLWVXSHQWEOC-UHFFFAOYSA-N 496.612 2.479 30 10 JEEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)NCc2ccc(F)cc2)CC1 1507832231 UZUCRVDVSHTSFG-LJQANCHMSA-N 475.590 2.428 30 10 JEEE C=CCCOCCn1c(-c2ccccc2C)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1507960586 PKTMQTKVAMKJJV-UHFFFAOYSA-N 499.641 2.399 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 1508090575 HSZMJNGNMPTFME-UHFFFAOYSA-N 491.596 2.402 30 10 JEEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@](C)(O)c2ccsc2)CC1 1508258626 GPFWEYMGLBYNRS-QHCPKHFHSA-N 466.567 2.366 30 10 JEEE C[C@@H](Cn1c(-c2ccc(F)cc2Br)nnc1N1CCO[C@H](C#N)C1)N1CCOCC1 1510023819 DDHFMGYSFILKBK-GOEBONIOSA-N 479.354 2.296 30 10 JEEE CC[C@@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCN1CCOC(C)(C)C1 1513023437 BQVNQUAKICLLNH-RTBURBONSA-N 467.622 2.279 30 10 JEEE CC[C@@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](Cn2cccn2)C1 1513168920 FVAOSIRADGZTIM-NQIIRXRSSA-N 462.558 2.223 30 10 JEEE CCC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCN2S(C)(=O)=O)CCO1 1514384079 CZDLAIBGFGJEAD-TZIWHRDSSA-N 488.614 2.158 30 10 JEEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCN(C)C1CCCC1 1516591469 AVKDNPFMHCFAON-SFHVURJKSA-N 453.595 2.066 30 10 JEEE N#Cc1cccc(-c2nnc(N3CCC(Cn4cccn4)CC3)n2CC(=O)NCC(F)F)c1 1521075060 HSTBGUNEBPWYMX-UHFFFAOYSA-N 454.485 2.311 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc(Cl)nc3)n2CCCn2cnnn2)c1 1539040200 OFXAVAJDINEHKA-UHFFFAOYSA-N 476.932 2.127 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H](C)CNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1539210635 FJWRJPKJGJBLDD-IEBWSBKVSA-N 488.614 2.128 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCOc1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 1539215482 DCFGWKNCNKXXLA-GOSISDBHSA-N 474.974 2.038 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CCn1cc(Cl)cn1)[C@@H]1CCS(=O)(=O)C1 1539219396 JMIPMGHYNXWGMJ-MRXNPFEDSA-N 494.955 2.324 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC1(C(N)=O)CCOCC1 1539297011 XLQKGDPQXQXUCC-SFHVURJKSA-N 453.518 2.302 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCC2CCOCC2)CC1 1539466951 KCCFHMQSHJZHGC-UHFFFAOYSA-N 479.585 2.098 30 10 JEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccccc2CN2CCCC2=O)CC1 1539828272 HBXYVSZBRJJBDW-SFHVURJKSA-N 472.615 2.215 30 10 JEEE C=CCOc1ccc(Cn2c(N3CC(=O)N(C)C[C@H]3C)nnc2[C@]2(OCC)CCOC2)cc1 1540879286 YRRYRKDWUMSLML-KOSHJBKYSA-N 455.559 2.210 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCC(C(=O)N2CCCC2)CC1 1540899568 SRIUGPFAYYEDPM-UHFFFAOYSA-N 461.588 2.286 30 10 JEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)Nc1cc(F)cc(F)c1 1540916879 ISYIAHZYRBCBEO-CQSZACIVSA-N 485.582 2.453 30 10 JEEE C[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(S(C)(=O)=O)CC1)N(C)C1CC1 1541865011 HGORSBKWVHUCEK-KRWDZBQOSA-N 472.615 2.225 30 10 JEEE CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCNC(=O)c1cccc(C)c1 1548170885 DFWCWDAFAMOOQC-UHFFFAOYSA-N 474.569 2.146 30 10 JEEE C=C(C)C[C@H](NC(C)=O)C(=O)N1CCN([C@](C)(CO)c2ccc(Br)cc2)CC1 1558685657 YJVZOTDUPOOFIX-PZJWPPBQSA-N 452.393 2.272 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCCNS(=O)(=O)CC)CC1 1588768882 LWDMAGKUIWLBPG-UHFFFAOYSA-N 472.659 2.327 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCN(CC)CCC)CC1 1588837398 SQZXPNAHYMDXFK-NRFANRHFSA-N 489.665 2.074 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2C[C@@]2(N(C)C)CCSC2)CC1 1588955434 WZXBFZGZKKDGFA-DEOSSOPVSA-N 458.676 2.414 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(F)cc2)n1CCNS(=O)(=O)Cc1ccon1 1589251314 LUUWSLXXZKIKIU-JOCHJYFZSA-N 488.545 2.096 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1589545681 ONUQCRMKVALKFK-MYJYVVNQSA-N 458.534 2.349 30 10 JEEE C=C(C)COCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1593696395 PAPDJSPJHNKCJS-NRFANRHFSA-N 470.574 2.081 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[C@@H](N2CCOCC2)C(F)(F)F)CC1 1594236502 DHPWAMPHNDRMLQ-QZTJIDSGSA-N 491.580 2.236 30 10 JEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(F)cccc1SC 1594961823 GAYSQONEEVHIRD-MRXNPFEDSA-N 455.581 2.143 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCNC(=O)[C@@H]1CC 1595766000 KJIIWNYOZPQLBV-WBVHZDCISA-N 477.656 2.447 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 1595777106 IOHZZEVDHLKHQO-HXUWFJFHSA-N 485.610 2.439 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(C(C)=O)C[C@H]1C 1595824039 VRMJEZBNJZFHTQ-LJQANCHMSA-N 475.615 2.132 30 10 JEEE CO[C@]1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(O)(C(F)(F)F)CC2)CCOC1 1619061560 ARRDALNVYLWQPP-FQEVSTJZSA-N 481.475 2.428 30 10 JEEE COc1ccccc1C1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)CC1 1619379269 BVKGVSHXCDMECR-YCRPNKLZSA-N 462.551 2.071 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)N3CC[C@]4(CN(C(=O)OC(C)(C)C)CCO4)C3)cc2C1=O 1634336437 UVFOCXOWAVDWRU-XMMPIXPASA-N 455.511 2.321 30 10 JEEE C=CCn1c(CCN2CCCCC2)nnc1SCC(=O)CN1C(=O)c2ccccc2C1=O 1643573625 QHPWZSARANHQDH-UHFFFAOYSA-N 453.568 2.450 30 10 JEEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1ncnn1-c1ccccc1)[C@H]1CCS(=O)(=O)C1 1689980754 WVQFSJIVXIONFP-HKUYNNGSSA-N 453.572 2.047 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H]1CCCN(C(C)C)C1)[C@H]1CCS(=O)(=O)C1 1689985971 GJEHJVLPCUFIOZ-UXHICEINSA-N 458.632 2.031 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1Cc1csc(COC)n1)[C@H]1CCS(=O)(=O)C1 1689991650 AWXFCKAPOTWTLT-SFHVURJKSA-N 489.598 2.286 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CCCOCC)[C@H]1CCS(=O)(=O)C1 1689992336 JNYKHOGIPYSYOQ-INIZCTEOSA-N 452.527 2.200 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@](C)(O)[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1689992386 KHJVMUQOKXDPKV-NYDSKATKSA-N 462.591 2.432 30 10 JEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1nccc(C(F)F)n1 1690013274 ISQJHMXSRKDCCH-UHFFFAOYSA-N 470.509 2.087 30 10 JEEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1690186386 OTTXFTFKBHVIMO-QZTZHPFYSA-N 488.658 2.378 30 10 JEEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@](C)(c2ccccc2)C1 1690301588 WOUZWNGSUOGPQB-PGRDOPGGSA-N 463.604 2.233 30 10 JEEE C=C(Cl)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1690334000 AUQLKOLSFMHVMN-UHFFFAOYSA-N 473.946 2.209 30 10 JEEE C=CCC(C)(C)Cn1c(N2CCN(C(=O)[C@H]3CCCO3)CC2)nnc1[C@@]1(OCC)CCOC1 1690439765 OQCOUCQVCXWXHM-NTKDMRAZSA-N 461.607 2.360 30 10 JEEE C=CCNC(=O)Cn1c(N(C)CC2CCOCC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1690677424 WRSWKROJCFJYJD-HDICACEKSA-N 462.595 2.214 30 10 JEEE CC[C@H](C)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N(C)C)CC1)OC 1693955744 BURYDWRROHCSHM-RXVVDRJESA-N 453.591 2.088 30 10 JEEE CCCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC(CC#N)CC1 1695435127 BDPXRWBWVMQFHV-UHFFFAOYSA-N 472.619 2.203 30 10 JEEE CN(CCS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCCN1C1CC1 1696841702 AJVVHXAYRGYLJF-FQEVSTJZSA-N 472.615 2.226 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CCC(=O)NCCC)[C@H]1CCS(=O)(=O)C1 1705563423 XIPYRNSDKBVPKC-FQEVSTJZSA-N 457.600 2.051 30 10 JEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1CC1(CN2CCOCC2)CCCCC1 1705601022 UWGVQZNHWSHENA-UHFFFAOYSA-N 466.630 2.146 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1 1705661960 MGNUMPPJNAOTEJ-QGZVFWFLSA-N 497.687 2.430 30 10 JEEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1705762091 MCQUVLYIXNRULP-RDBSUJKOSA-N 451.877 2.259 30 10 JEEE C=CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(C(=O)NC)CC1 1705804592 GRATVZATIQYNMD-UHFFFAOYSA-N 450.547 2.010 30 10 JEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](O)(c2ccc(F)cc2)C1 1705805145 ACMWAJXOJJXVLO-REWPJTCUSA-N 493.605 2.204 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 1705936862 ZTXWPXAMEWFGHC-CTNGQTDRSA-N 493.674 2.248 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCc3ccc(F)cc3C2)nnc1[C@]1(OCC)CCOC1 1705938717 HWVSOPOJYJZQCF-QFIPXVFZSA-N 464.563 2.233 30 10 JEEE CC[C@@H](Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@](F)(C#N)C1)OC 1708776686 DJTLCXWTIYWFRQ-OXJNMPFZSA-N 450.540 2.062 30 10 JEEE CN1CCCC(C)(C)[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1711277222 FXEZFYYNKKCVEQ-CTNGQTDRSA-N 486.642 2.472 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1CCOC[C@@H]1OC 1722281206 UEIGGCKVZOBARA-JQHSSLGASA-N 460.604 2.056 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1722366066 QRFVGIOKHNBMAO-WOJBJXKFSA-N 487.626 2.140 30 10 JEEE C#CCN(c1nnc(COCC)n1C[C@](C)(O)c1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 1722371220 UXGVWDZEZYNBGK-NQIIRXRSSA-N 466.991 2.002 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(COc4ccccc4)o3)n2CCC(=O)NC)CC1 1722442980 KYYQMZLGWYSTQD-UHFFFAOYSA-N 490.564 2.219 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)ccc3C)n2CC2(O)CC(OCC)C2)CC1 1722450044 VCWSBWFTJXXJBR-UHFFFAOYSA-N 495.624 2.370 30 10 JEEE C=C(Cl)Cn1c([C@@H]2COc3ccccc3O2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1722554337 DICQIGIMYQLWNQ-SFHVURJKSA-N 467.979 2.403 30 10 JEEE C=CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(CC(=O)N(C)C)CC1 1722735886 VCUCVGMGZHSHJY-UHFFFAOYSA-N 482.452 2.165 30 10 JEEE CCN(CC)C(=O)CCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(c2ccccc2C#N)CC1 1728351018 GBSXMSZFRTXVDO-OAQYLSRUSA-N 492.628 2.466 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCCC(=O)N(C)C)CC1 1740702567 SISGFFALDSQSLS-GOSISDBHSA-N 484.576 2.391 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 1740742864 DNSPZSNTNVCNSV-KRWDZBQOSA-N 473.375 2.029 30 10 JEEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1740843313 DWJWBZIMCUVZFB-PMACEKPBSA-N 481.711 2.095 30 10 JEEE C=CCCOCCn1c(-c2cc(Br)cn2C)nnc1N1CCNC(=O)[C@H]1CC 1740888970 KTCOINYWYUGPOX-OAHLLOKOSA-N 451.369 2.354 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccnc(N2CCCCC2)c1 1741131971 IECYUWQHRKDRJW-HKUYNNGSSA-N 457.604 2.210 30 10 JEEE C[C@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1C[C@H]1CN(Cc2ccccc2)CCCO1 1741134460 BGSMLKOXBKTDHZ-IFMALSPDSA-N 465.602 2.287 30 10 JEEE Cc1nn(C)c(N2CCN(c3nnc(CC(C)(C)C)n3CC3([S@](C)=O)CC3)CC2)c1C#N 1742668622 DNDXHHUXUHYVEU-YTTGMZPUSA-N 458.636 2.018 30 10 JEEE COc1cc(Cl)ccc1-c1nnc(N2CCC(CC#N)CC2)n1CCNS(C)(=O)=O 1748550765 AINBXSQMPHXHKK-UHFFFAOYSA-N 452.968 2.286 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(CC)(CC)NC(=O)OC(C)(C)C 1748639434 HAMNPIQKYPRBIV-HZPDHXFCSA-N 470.640 2.430 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1CC(O)(CC)CC)[C@@H]1CCS(=O)(=O)C1 1748809437 SFVGLTBAXFXVAX-GOSISDBHSA-N 476.599 2.140 30 10 JEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CC(=O)N(c2ccccc2)C1 1748856348 ZUBLMSITTMBODV-LJQANCHMSA-N 472.574 2.396 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1cc(Br)cs1 1748948603 SWVZYERHSCVUMM-UHFFFAOYSA-N 452.378 2.472 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2Cc2conc2COC)CC1 1749015230 ASWZJLVBBWPIEZ-UHFFFAOYSA-N 478.553 2.314 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2C[C@](C)(O)c2ccco2)CC1 1749019460 UYMAJZSGIFNELW-VWLOTQADSA-N 481.528 2.463 30 10 JEEE C#CCSCCn1c(CC(C)(C)C)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1749037456 CXJFTHSWIFABKZ-OAQYLSRUSA-N 462.708 2.464 30 10 JEEE C#CCSCCn1c(N2C[C@@H](C)OC3(CCOCC3)C2)nnc1[C@@]1(OCC)CCOC1 1749047667 BUALFYHSINJYQU-XMSQKQJNSA-N 450.605 2.071 30 10 JEEE C=C(Br)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCO[C@H](C(=O)NC)C1 1749089668 CBZLOARDXBQZTO-HNNXBMFYSA-N 470.755 2.467 30 10 JEEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1749373765 TWZBTXLKSPYKGW-QHCPKHFHSA-N 479.629 2.351 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1749676411 PONUVHCOINQFRB-GOSISDBHSA-N 465.558 2.330 30 10 JEEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1749755009 VUKXKPOZSZSFJL-INIZCTEOSA-N 453.634 2.086 30 10 JEEE C#CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1760137991 OTMCPJUJORESFG-SFHVURJKSA-N 459.620 2.125 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1Cc1ccc(OC)nc1)[C@@H]1CCS(=O)(=O)C1 1760190425 QNRPGZONPLSVPY-GOSISDBHSA-N 457.581 2.009 30 10 JEEE C#CCN(c1nnc(CCCc2ccccc2)n1Cc1ncnn1C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1760192093 QIXZNJQOKJNNSE-OAQYLSRUSA-N 495.653 2.475 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC1CC(OC(C)(C)C)C1 1760219750 MNGQUYNLFUJPCK-CBNMVNINSA-N 491.658 2.058 30 10 JEEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1CCNC(=O)c1ccc(C)c(F)c1 1760223766 LJXUWAZANGIXLV-UHFFFAOYSA-N 461.545 2.480 30 10 JEEE C#CCN1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CC(C)(C)OCC)CC1 1760260616 ZJSPOPJRXPIKQR-UHFFFAOYSA-N 463.586 2.245 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2[C@@H]2C[C@H]2CF)CC1 1760270380 WCRTTWHFTBMYLQ-OTWHNJEPSA-N 490.580 2.083 30 10 JEEE C#CCSCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCN(C)C(=O)[C@@H]1C 1760279607 HFWMCLIVPAEZLZ-KRWDZBQOSA-N 479.610 2.098 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1760314170 UHBGNOPPOSVLPD-MSOLQXFVSA-N 475.663 2.401 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@H](CNC(C)=O)C1 1760320770 XRKXKOJMTWIZNY-MZKRTTBSSA-N 485.585 2.285 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(N2CCOCC2)CC1 1760331401 SUJAEAVDJVJHAW-UHFFFAOYSA-N 488.658 2.463 30 10 JEEE C=C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCS(=O)(=O)N2CCSCC2)CC1 1760384948 KCQNGFFUWNFHRI-UHFFFAOYSA-N 478.600 2.388 30 10 JEEE C=CCN(CCOC)c1nnc(-c2cn(C)c3ccccc23)n1CC1(C(N)=O)CCOCC1 1760502928 RHMJYLXPIYXJRG-UHFFFAOYSA-N 452.559 2.358 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1760516129 KAWXYLYICQQJGJ-ZWKOTPCHSA-N 486.573 2.396 30 10 JEEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC[C@@H](C(=O)OC)C1 1760524328 VKEFGEUHZPZRLU-GOSISDBHSA-N 490.605 2.084 30 10 JEEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCO[C@H](C(F)(F)F)C1 1760526623 DIDNGXNOTOUBQF-KRWDZBQOSA-N 453.465 2.142 30 10 JEEE CC(=O)NC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCCCCC2)CCO1 1760667757 FJYAKJLUKJYALM-NRFANRHFSA-N 452.559 2.243 30 10 JEEE CN(CCN1CCOCC1)c1nnc(COc2ccc(C#N)cc2)n1CCc1nccs1 1768940465 AEWLZOWUOHEESI-UHFFFAOYSA-N 453.572 2.196 30 10 JEEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCC(C#N)CC3)n2Cc2cccc(Cl)c2)C1 1771360927 HOBQVINCLDCOFK-SFHVURJKSA-N 464.979 2.053 30 10 JEEE N#CCCN(CC1CC1)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCCCS1(=O)=O 1771543698 DPJCSAXAIZGOQD-KRWDZBQOSA-N 476.628 2.367 30 10 JEEE O=C(/C=C/c1ccc2c(c1)OCO2)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 1860730744 ZKEWRUUUVMLEED-ORCRQEGFSA-N 478.910 2.311 30 10 JEEE CC(C)OC(=O)c1ccc(Cn2nnc(C#N)c2NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 1870097173 GCHGNJDMEHEPDU-UHFFFAOYSA-N 470.467 2.472 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)COc2cn(CCO)c(CN(C)CCCC)cc2=O)nc1C 1870323122 IBDJULKVBZHYGR-UHFFFAOYSA-N 492.598 2.198 30 10 JEEE C#CCOc1cn(CCCn2ccnc2)c(CN2CCN(c3ccccc3OC)CC2)cc1=O 1870561620 VCOYNXVMSWGLIC-UHFFFAOYSA-N 461.566 2.478 30 10 JEEE C=CCn1cc(OCC(=O)Nc2ccc(C(=O)OCC)cc2)c(=O)cc1CN1CCN(CC)CC1 1870706362 YJWXDZQLMJMVMI-UHFFFAOYSA-N 482.581 2.366 30 10 JEEE C=CCn1c(C(=O)N2CCC(C(N)=O)CC2)cc2c(NC[C@H](c3ccc(O)cc3)N(C)C)ncnc21 1875231445 NIFHPYSNUKDVTJ-JOCHJYFZSA-N 491.596 2.375 30 10 JEEE CC1(C)OB(c2cc(C(=O)NC3CCN(C(=O)OCc4ccccc4)CC3)[nH]n2)OC1(C)C 2247829067 RCOKDIXAKCBGSL-UHFFFAOYSA-N 454.336 2.240 30 10 JEEE CC1(C)OB(c2ccsc2S(=O)(=O)N(OCc2ccccc2)C2CNC2)OC1(C)C 2247951695 JRAFDLBHIGERLC-UHFFFAOYSA-N 450.391 2.142 30 10 JEEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)[C@@H]2C[C@@H]21 2255753828 WLODBRZRPXSIAQ-UONOGXRCSA-N 470.422 2.430 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H]1C[C@H]1NC(=O)OC(C)(C)C 2255933869 UYCDMBXISKYKKX-CVEARBPZSA-N 452.382 2.238 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccsc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1CCO 2267476100 TXAVYUQTSAULGM-HNNXBMFYSA-N 466.409 2.491 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)[C@@](C)(CO)C1 2267594986 GNPUJCAWOSDLGS-JOCHJYFZSA-N 466.409 2.491 30 10 JEEE Cc1cc(CNC(=O)CN2CC(NC(=O)OC(C)(C)C)C2)sc1B1OC(C)(C)C(C)(C)O1 2268652104 ZXPKPMNNHKCMPZ-UHFFFAOYSA-N 465.425 2.181 30 10 JEEE COC(=O)C1(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sc2C)CN(C(=O)OC(C)(C)C)C1 2281973859 VCRAWPKXBMSBLU-UHFFFAOYSA-N 480.392 2.248 30 10 JEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)CN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2281976535 CSBZAGDILUVICB-HOTGVXAUSA-N 462.400 2.437 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](C1)CN(C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C2(C)C 2281982421 MXGADFYDDXLSJR-LSDHHAIUSA-N 460.384 2.426 30 10 JEEE Cc1nn(C)c(C(=O)N[C@H](C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2281988678 POLQDDZUWWNXHB-ZBFHGGJFSA-N 462.400 2.403 30 10 JEEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1CC2(C1)CC(OCc1ccccc1)C2 2282187017 CRCAPOIPJRZCLZ-UHFFFAOYSA-N 452.364 2.372 30 10 JEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)CN1C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2282188947 CWQNSUPNOMNWSF-HOTGVXAUSA-N 460.384 2.493 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCCN(C(=O)OC(C)(C)C)C[C@H]1C 2282582585 XZPRYVMVDPIZCJ-OAHLLOKOSA-N 462.400 2.499 30 10 JEEE C[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2CN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2282626996 FRXRHDLDDKJRHZ-OWCLPIDISA-N 460.384 2.047 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2O)C1 2282984500 RYENNXLNKJERAL-MRXNPFEDSA-N 462.352 2.057 30 10 JEEE CC(C)(C)OC(=O)Nc1cc(CNC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)ccn1 2283070003 STNXOGYZQXXXCU-UHFFFAOYSA-N 455.324 2.448 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2283965424 WVLXBPWGSASJMD-HNNXBMFYSA-N 457.340 2.178 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1NC(=O)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 2284048084 LZCLSZGPBYPDFF-HSZRJFAPSA-N 462.352 2.305 30 10 JEEE Cn1nc(C(=O)N[C@@H](COCc2ccccc2)CC(=O)O)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2284456977 FWRJHNBHFYCJEZ-OAHLLOKOSA-N 477.754 2.163 30 10 JEEE CN(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)[C@@H]1CN(C(=O)OC(C)(C)C)CC1(C)C 2289938765 KZEJWHLHTNUDEI-MRXNPFEDSA-N 462.400 2.437 30 10 JEEE COC(=O)C[C@@H](c1ccc2c(c1)n(C)c(=O)n2C)c1c(O)ccc2c1OC(=CN1CCOCC1)C2=O 2297592020 ZWBTVBYYHPQPEZ-KRWDZBQOSA-N 493.516 2.026 30 10 JEEE O=C(CN1C(=O)c2ccccc2C1=O)N[C@H]1CCN[C@H](C(=O)C=Cc2ccc(Cl)cc2)C1 2328071909 QMWOOSYOMJKBDR-PXNSSMCTSA-N 451.910 2.455 30 10 JEEE COCCc1nnc(SCC(=O)Nc2nccs2)n1N=Cc1cc(OC)c(O)c(OC)c1 2331266743 DFIHJLGQGHMYSD-UHFFFAOYSA-N 478.556 2.259 30 10 JEEE CCc1nn(C)c(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)OCc2ccccc2)c1B1OC(C)(C)C(C)(C)O1 2359267894 KAWRRLVLJRVKIT-HFSMHLIXSA-N 494.401 2.421 30 10 JEEE CCO[C@@H]1C[C@H](NC(=O)OC(C)(C)C)[C@@H]1N=c1ccc(B2OC(C)(C)C(C)(C)O2)c(OC)[nH]1 2365348227 NVOFITFGMMEKCY-JZXOWHBKSA-N 463.384 2.294 30 10 JEEE Nn1c(N/N=C/c2ccco2)nnc1SCC(=O)Nc1ccc(I)cc1 20527744 ZSRGRFAAESXLBM-QGMBQPNBSA-N 483.295 2.366 30 10 JEEE C=CCn1c(SCC(=O)N2CCC(C(N)=O)CC2)nnc1-c1sc2ncccc2c1N 64794674 SVWYAUCAWHSNHK-UHFFFAOYSA-N 457.585 2.139 30 10 JEEE CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cc(C)ccc3C)c(=O)n2-c2ccc(F)cc2)CC1 254441614 WIZOARQRRBQGJA-UHFFFAOYSA-N 490.604 2.322 30 10 JEEE CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccccc3)c(=O)n2-c2ccc(C)cc2C)CC1 514306127 HLXJWPKNCMCWQD-UHFFFAOYSA-N 472.614 2.183 30 10 JEEE CCCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccc(C)c(C)c1 729671032 BIOITNDWOMZCMW-UHFFFAOYSA-N 457.559 2.193 30 10 JEEE C#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(CCN(C)C)CC(=O)O 757399883 GZGFYWFRXAUTSL-QHCPKHFHSA-N 463.534 2.392 30 10 JEEE C=CCOC[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1)C(=O)OC 1155779716 UEGBBHKJYWVNHA-HXUWFJFHSA-N 458.536 2.302 30 10 JEEE N#Cc1ccc(C2CCN(CC(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)CC2)cc1 1198210171 GTFBRHLIFFLFRR-UHFFFAOYSA-N 452.580 2.271 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)cc1O[C@H]1CCOC1 1286297186 ATBRDEAUUOAJQE-SXLOBPIMSA-N 458.584 2.163 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@@](C)(O)c1ccco1)[C@@H]1CCS(=O)(=O)C1 1286389007 XIAVWKRKYWVIMN-WZONZLPQSA-N 470.551 2.081 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN(C)[C@H](C)CC 1286438534 FBIQNYQYYLPZTO-LJQANCHMSA-N 455.632 2.431 30 10 JEEE C#CCN(CC)c1nnc(-c2ccc(Br)s2)n1CCOCCS(C)(=O)=O 1286439003 JWHUBXSVTPSTRJ-UHFFFAOYSA-N 461.407 2.290 30 10 JEEE C#CCN(CCOC)c1nnc(Cc2ccccn2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1286466821 NVJNKLMWZPXNAX-HXUWFJFHSA-N 461.570 2.018 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC)n2Cc2cc3c(cc2OC(F)F)OCO3)CC1 1286491351 OAXYGEFCOYTAHC-UHFFFAOYSA-N 461.469 2.185 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2nc(C(F)(F)F)cs2)CC1 1286492168 DHJYXRYHNKGIGV-AWEZNQCLSA-N 468.505 2.271 30 10 JEEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1286535143 GASSXEXOVGKVPD-INIZCTEOSA-N 493.406 2.336 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1286547744 PXQJYSPWBSMREC-GMAHTHKFSA-N 487.693 2.392 30 10 JEEE C=CCN(CCOC)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C 1286766926 ZIXRISPPYBOQMH-KRWDZBQOSA-N 450.584 2.455 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1286782742 FAZCSVMDQVKFGS-QRQCRPRQSA-N 461.950 2.294 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(N(C)C(=O)OCC)CC1 1286784308 DEWQRKJWGWPVJN-UHFFFAOYSA-N 470.530 2.033 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCN2C2CCCCC2)C1 1286800546 MSEXVUQDPIDYQD-SESVDKBCSA-N 480.679 2.467 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1286812808 OUHTVLAGJVBBFW-UYAOXDASSA-N 479.578 2.202 30 10 JEEE CN(Cc1ccco1)Cc1ccccc1CNC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1293676505 FRIKBHKNNRSVHI-UHFFFAOYSA-N 452.536 2.267 30 10 JEEE C#CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1300403868 QPYSVQMZBARRCK-IAGOWNOFSA-N 470.599 2.346 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1CC1CCN(CCC(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 1300491948 JZYNFCUTPVGBGX-OAQYLSRUSA-N 485.658 2.120 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@H]1CCCCS1(=O)=O 1300527085 BBAVFMOTHFSQAR-LJQANCHMSA-N 492.605 2.276 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC[C@@H](C(F)F)N2CCOCC2)CC1 1300690880 KUFZJKHAXWHKQU-SFHVURJKSA-N 479.963 2.105 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H](C(CC)CC)N2CCOCC2)CC1 1300698591 VTOHUWFDCNWQOH-PKTZIBPZSA-N 458.651 2.412 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2csc(C)n2)CC1 1300876871 VCENNKLRWMPIGM-ICSRJNTNSA-N 473.647 2.485 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1300876880 VDNWOSNCSOKRSL-QRVBRYPASA-N 492.621 2.127 30 10 JEEE C=CCN(c1nnc(-c2cccc(Br)c2)n1C[C@]1(O)CCS(=O)(=O)C1)C1CC1 1301317527 WZHHCMGAMBXIAG-LJQANCHMSA-N 467.389 2.412 30 10 JEEE C=CCn1c(-c2ccc(C)o2)nnc1N1C[C@@H]2[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1301437944 BEZLVGLVAZAANY-HLLBOEOZSA-N 463.560 2.159 30 10 JEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CC[C@H](c2ccccc2)[C@@H]1C 1301587213 RYVVQYDGNKGVLS-ICSRJNTNSA-N 457.600 2.384 30 10 JEEE CC(=O)N1CCN(CCn2c(-c3ccc(Cl)nc3)nnc2N2CCC(CC#N)CC2)CC1 1301767819 YKGSGIUWQUZMKM-UHFFFAOYSA-N 456.982 2.288 30 10 JEEE CC(C)CN1CCO[C@H](Cn2c(CN3CCCC3=O)nnc2N(C)Cc2ccc(C#N)cc2)C1 1303202986 BFCHIRFNOBRSHS-QFIPXVFZSA-N 465.602 2.265 30 10 JEEE CCCC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCO[C@@H]2C)CC1 1306508521 GGLFFHLJMAXOJM-MZNJEOGPSA-N 452.559 2.242 30 10 JEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NC1CCN(C(=O)c2ccc(OC)c(OC)c2)CC1 1311950834 RROVKSDTONJOEU-UHFFFAOYSA-N 459.543 2.295 30 10 JEEE COc1ccc(S(=O)(=O)N2CCC(CNC(=O)N3CCC(C#N)CC3)CC2)cc1OC 1311983061 AIFBCLSWCCDFLO-UHFFFAOYSA-N 450.561 2.050 30 10 JEEE CNC(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1315052794 AXBHXSFGXVLSRU-UHFFFAOYSA-N 474.569 2.203 30 10 JEEE COc1ccc(C[C@H](C)Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@@H](C)C#N)cc1 1315440092 GPVUSOYLNRQHTG-WFXMLNOXSA-N 490.630 2.094 30 10 JEEE CSc1ccc(CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@H](C)C#N)cc1 1316418813 CUAJYRGEIIVMLV-VQIMIIECSA-N 478.644 2.171 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCSc1ccccc1 1358891005 YGVOSGFYOCYJAL-IEBWSBKVSA-N 463.629 2.251 30 10 JEEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@@H](OCCOC)C1 1358926809 CXKCCGDAFJRTPG-GOSISDBHSA-N 450.543 2.237 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1nc2ccccc2s1 1358930562 XRXZTXFHWBFLIZ-QGZVFWFLSA-N 474.612 2.271 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCCN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1358959846 QVIRPUZAWIDPLJ-JOCHJYFZSA-N 466.611 2.319 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1ccc(N(C)C)cc1C)[C@H]1CCS(=O)(=O)C1 1358961433 ZBXYKFULVFTTDH-QFIPXVFZSA-N 464.595 2.390 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H](OCC)c2ccccc2)CC1 1359031304 XDWKNQDRTLGKNV-RDGATRHJSA-N 453.587 2.463 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@](C)(O)c2cccs2)CC1 1359043474 VHZISADTJBAPPS-QHCPKHFHSA-N 450.568 2.275 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCSCc2ccccc2F)CC1 1359044729 MZMORAHKQINOTL-HXUWFJFHSA-N 484.601 2.268 30 10 JEEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1359061323 YRQBPHLAMAMPHP-JOCHJYFZSA-N 479.654 2.311 30 10 JEEE C=CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1359217410 YRHODIXGHIRBFN-MSOLQXFVSA-N 475.594 2.109 30 10 JEEE C=CCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCN(C)C(=O)[C@H]1C 1359218687 RUSKMFJONCCQJY-OAQYLSRUSA-N 451.619 2.276 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](c2nc(CC)cs2)C1 1359291568 VSKCANOQRAMMNX-MRXNPFEDSA-N 457.604 2.219 30 10 JEEE C=CCOc1ccc(Cn2c([C@H]3CCCO3)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)cc1 1359309629 YWXZPWXWSLYVSI-FXAWDEMLSA-N 461.588 2.213 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@H]2CCCO2)C1 1359315375 SXLDWOABQLGWTR-OALUTQOASA-N 461.588 2.156 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 1359330140 ILFZCLWKSUFLAA-UHFFFAOYSA-N 464.592 2.368 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1Cc1cc(COC(C)(C)C)on1 1360677239 BGLWTWAOHDSMPG-HNNXBMFYSA-N 479.607 2.370 30 10 JEEE CC(=O)c1cccc(S(=O)(=O)NCCC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)c1 1467747306 YGPLXMWYNZJSRL-UHFFFAOYSA-N 455.536 2.499 30 10 JEEE C=CCC[C@@H](CO)NC(=O)C1CCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)CC1 1467991755 LXOJMUHHPORJJN-HNNXBMFYSA-N 450.479 2.429 30 10 JEEE CC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCOC[C@H]2OC)CCN1CCOC 1499680517 HMRVFOLLIPXRPG-YTFSRNRJSA-N 468.602 2.415 30 10 JEEE C#CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1507554833 ZHLNYADEKTWCQU-PKOBYXMFSA-N 454.962 2.380 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H]1CCCCC(F)(F)C1)[C@@H]1CCS(=O)(=O)C1 1507622703 KZKNXESPLKWJNK-DLBZAZTESA-N 471.574 2.259 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccc(OCCC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1507633947 VSSOJBNHIZNOAK-VQTJNVASSA-N 488.610 2.254 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@](C)(O)C(C)C)[C@H]1CCS(=O)(=O)C1 1507636978 FSJTWPVSNRDOEE-LVBDUCALSA-N 466.648 2.230 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC[C@H]1CCOC1 1507672349 XWIQUVLMUGMXLP-PMACEKPBSA-N 457.575 2.476 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H]2Cc3ccccc3O2)CC1 1507733770 LQSLDNBMXWYCJR-OAQYLSRUSA-N 478.597 2.166 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCCOC(F)F)CC1 1507737941 DGRTUIGREHPLCP-LJQANCHMSA-N 475.496 2.386 30 10 JEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC(Oc2ncccc2F)CC1 1507753573 OXEBPLIZMJRJGV-UHFFFAOYSA-N 458.563 2.349 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)c(F)c1 1507821247 XFUXMVVKLLUMRB-GOSISDBHSA-N 455.531 2.340 30 10 JEEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1507830719 UPULMOYGBAEENJ-DLBZAZTESA-N 469.608 2.176 30 10 JEEE C=C(C)COCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CC(=O)NC(C)C 1507845217 BTCJCQMVRDBNJP-SFHVURJKSA-N 480.610 2.140 30 10 JEEE C=C(C)COCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1507847784 RLEJOBGVLYTJPD-UHFFFAOYSA-N 463.604 2.148 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CC=CCC1 1508007954 JRIACCCCYNCSQY-HXUWFJFHSA-N 492.671 2.127 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](c2ccccc2F)C1 1508142281 RVFJKGVBJXGCKJ-YLJYHZDGSA-N 464.563 2.490 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCc1ccc(Cl)cc1 1508146599 ZPJNRPHOEQHCCK-KRWDZBQOSA-N 487.047 2.113 30 10 JEEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCN2CCCCCC2=O)C1 1510290470 HLEYRNWQHMOKLW-XMSQKQJNSA-N 462.620 2.103 30 10 JEEE CCN1CCN([C@@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(C(C)C)CC2)CC1 1515890753 BGPRKUSZZLCYKQ-NRFANRHFSA-N 450.635 2.373 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1C[C@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1539212230 NWJCFDIHUJGFHR-IIBYNOLFSA-N 466.991 2.395 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@H](CC(C)C)N(C)C)[C@H]1CCS(=O)(=O)C1 1539216046 MWXQWASAMWNIFO-VQTJNVASSA-N 458.632 2.252 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccccc1OCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1539222218 UPSLXBYAKIZKDF-ZWKOTPCHSA-N 498.527 2.398 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCN1CCC(C)CC1 1539409132 PEDCDWKCMFGQQG-UHFFFAOYSA-N 477.613 2.493 30 10 JEEE C#CCSCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCO[C@H](COC)C1 1539511544 YPBMWHPUCZMEID-SFHVURJKSA-N 482.610 2.283 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(OCCN(C)C)cc1 1539557527 WFXHQKSWKRRNEJ-PXDATVDWSA-N 485.654 2.355 30 10 JEEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(OCCC(C)C)CC1 1539802856 AICYFVOFODJLLE-GOSISDBHSA-N 476.043 2.395 30 10 JEEE C=CC1CCN(c2nnc(CNC(=O)c3cccs3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1539897500 FSQMQZVKFUZCQL-XDOYNYLZSA-N 481.582 2.198 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1540875688 UVQHODVHRUDFDX-INIZCTEOSA-N 470.020 2.149 30 10 JEEE CC(C)[C@](C)(O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1541292599 HEFOJCIPXXRZNK-XMMPIXPASA-N 469.565 2.258 30 10 JEEE CCCCN1CCCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CC#N 1547041515 AYEZLMYVOLRSFK-AQNXPRMDSA-N 481.667 2.004 30 10 JEEE COc1ccc(S(=O)(=O)N2CCN(C(=O)Nc3cc(C)c(N(C)C)cc3C#N)CC2)cc1 1562904689 FWXZWZKBXNYHSZ-UHFFFAOYSA-N 457.556 2.480 30 10 JEEE C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCCN1Cc1ccc(I)cc1 1568137388 PSZXBQKUDAHKME-OALUTQOASA-N 451.352 2.469 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCOC[C@H]1CCCO1 1587633803 YTSXOGJQJJPFKQ-TZIWHRDSSA-N 453.591 2.496 30 10 JEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1587857323 YMXFHTUHJAJALV-OKZBNKHCSA-N 465.620 2.333 30 10 JEEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CCS(C)(=O)=O)C1CC1 1587861886 RACRVLSEQRKLKC-SFHVURJKSA-N 481.619 2.013 30 10 JEEE C#CCCCn1c(Cc2ccc(F)cc2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1587865040 GUVOFKZXEMJGKO-CVDCTZTESA-N 452.578 2.410 30 10 JEEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@@H](C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 1588044637 AASDEOXYXMQJJJ-OALUTQOASA-N 459.591 2.443 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@]1(O)CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1588058720 BBPFLSLZJCSYKN-KPDCDPCYSA-N 460.575 2.186 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(OC(F)(F)F)cc1 1588140364 VYRIJQUONMEQRR-QGZVFWFLSA-N 466.485 2.394 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC1CCS(=O)(=O)CC1 1588189639 PAFQCZCUYRDYNY-UHFFFAOYSA-N 486.594 2.259 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2CCO[C@@H]2C(C)C)CC1 1588762877 OTYQHBMUXZXPSR-RBBKRZOGSA-N 471.627 2.165 30 10 JEEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1589047779 JDGZQXOOIXSYTE-GHTZIAJQSA-N 455.632 2.019 30 10 JEEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1CC[C@@H](SCC)C1 1589070538 UUSMEUUFSOXVDM-KSZLIROESA-N 487.717 2.088 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1Cc1ccccc1CN1CCC[C@H]1CO 1589134760 OKMXQXYFGGBTTP-BKMJKUGQSA-N 464.614 2.413 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cccc(C(C)(C)O)c2)CC1 1594240967 DAPUPRKVRZYXDV-NRFANRHFSA-N 489.642 2.289 30 10 JEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cc(Cl)ccn1 1594732649 GPMWCWXRAUOGMJ-QGZVFWFLSA-N 454.984 2.262 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCN(CC(F)(F)F)CC1 1595577253 MIKOMFDAGDYVML-UHFFFAOYSA-N 472.899 2.497 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@H](C)[C@H]2C)cc1 1595613300 BZCWFFXNWUKGIA-OPYAIIAOSA-N 475.615 2.459 30 10 JEEE C=CCS(=O)(=O)CCn1c(N(CC)[C@@H]2CCS(=O)(=O)C2)nnc1C1(c2ccccc2)CCC1 1595831406 PYWXIBBRIUAGCM-HXUWFJFHSA-N 492.667 2.362 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2Cc3ccccc3O[C@H](C)C2)nnc1[C@]1(OCC)CCOC1 1595831790 WLGCMIBLVCCOEG-JPYJTQIMSA-N 476.599 2.319 30 10 JEEE C#CCN(C(=O)CCc1c(C)nn(COCC[Si](C)(C)C)c1C)[C@@H]1CCS(=O)(=O)C1 1597138226 JZIIHBQULJAKOS-LJQANCHMSA-N 453.681 2.394 30 10 JEEE Cc1cc([C@](C)(O)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@](C)(C#N)C2)c(C)o1 1611902584 BCAHRDNRLPTJBB-IPHXSNPTSA-N 464.592 2.136 30 10 JEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2C[C@H](CCN3CCCC3=O)c3ccccc32)cc1 1630662196 QHRHQBWDLJIHGB-IBGZPJMESA-N 451.548 2.355 30 10 JEEE C=CCN(C)CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1 1663023885 OBYWZFDDQRYZMO-KDURUIRLSA-N 457.662 2.482 30 10 JEEE C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@H]2CCN(c3cc(OC)cc(OC)c3)C2)c1 1668015239 HTFVZQGUUBWTCG-QGZVFWFLSA-N 459.568 2.424 30 10 JEEE Cn1ncc(S(=O)(=O)N2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)c1Br 1668971348 BPOPZYBTLRQYFW-AWEZNQCLSA-N 458.769 2.407 30 10 JEEE CCOC(=O)C1(S(C)(=O)=O)CCN(C(=O)NCc2cccc(O[C@H](C#N)CC)c2)CC1 1684602122 DNACNHSSACIQDW-KRWDZBQOSA-N 451.545 2.019 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2cccc(F)c2[C@@H]1C 1689930246 NNMROGMXSDTGKO-LPHOPBHVSA-N 461.563 2.287 30 10 JEEE C#CCCCn1c(COc2ccccc2OC)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1689939921 HCMFAEZTHXJKPA-OAQYLSRUSA-N 453.543 2.107 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(C#N)c2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1690010074 VIFJPNKAZLOZGG-UHFFFAOYSA-N 455.522 2.144 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCNC(=O)c1cccs1 1690013585 VEJJBSIHAQEHDL-UHFFFAOYSA-N 485.573 2.239 30 10 JEEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1690160107 XHZNMSRXTWFHRI-XMSQKQJNSA-N 471.627 2.486 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C(C)(C)C)C1 1690238686 MNAMIVJEKNWZAS-BDXSIMOUSA-N 455.625 2.121 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C(C)C)C1 1690682084 DAAPUQAVUPYMIM-YLJYHZDGSA-N 463.604 2.363 30 10 JEEE CCc1nn(C)c(CC)c1Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1694604301 CRFQLMFMFRZERB-SFHVURJKSA-N 467.599 2.347 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2Cc2nc(C)cs2)c1 1705503810 FGSZGXDBAXGERA-UHFFFAOYSA-N 463.567 2.384 30 10 JEEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC2(O)CC(OCC)C2)CC1 1705642123 HRWBICWEWYWTMO-UHFFFAOYSA-N 453.587 2.159 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@]2(C)CCCO2)CC1 1705645961 LJPOJYOPIIEWJA-VWLOTQADSA-N 467.570 2.497 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(=O)N2CCCC2)n1CC(=O)NCC(F)(F)F 1705856533 WGWULTMALKWTNH-UHFFFAOYSA-N 480.491 2.394 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@@H](C(=O)OC)C1 1705932941 PBMFIEVZURAOCZ-GOSISDBHSA-N 469.567 2.484 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)[C@H]1CCSC1 1705934161 CTNVLYSXIXVZNZ-INIZCTEOSA-N 488.639 2.217 30 10 JEEE CCC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N(C)CC)CCN1CCOC 1709549000 HQACQOMSIQITIG-OAQYLSRUSA-N 453.591 2.232 30 10 JEEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2c(C)noc2C)C1 1710345710 FPBSRWYKVFOIRD-IBGZPJMESA-N 469.571 2.182 30 10 JEEE CN(C[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nccs2)C1)S(C)(=O)=O 1711149997 FQHCEAUDDOJTPR-QGZVFWFLSA-N 471.612 2.429 30 10 JEEE COc1cc(OC)cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC2(C(=O)N(C)C)CCCC2)c1 1711702891 AJJDERRRXOQWFR-FQEVSTJZSA-N 468.558 2.340 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)c1ccco1 1722421006 KSTNWAJLKXSNRB-JPYJTQIMSA-N 472.542 2.460 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3)n2CCCN2CCOCC2)CC1 1722434232 OBFZKZIJUXXLEX-UHFFFAOYSA-N 473.419 2.185 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2cc(OC)ccc2OC(F)F)CC1 1722441404 PMQWFVQTKLPKET-UWJYYQICSA-N 491.539 2.416 30 10 JEEE C#CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CCN(C2CC2)C(=O)C1 1722451600 DUXZPFHUBVMPFR-UHFFFAOYSA-N 463.405 2.224 30 10 JEEE C#CCSCCn1c(-c2ccc3ccccc3n2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1722455371 SVYWUTAFHOVMAK-IBGZPJMESA-N 450.568 2.201 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)OCCOC)nnc1N1CC(C)(C)O[C@@]2(C[C@@H]3CC[C@H]2C3)C1 1722689770 ZIZNLKLSXMRQMU-FVJVTNMWSA-N 461.607 2.478 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN2CCCC[C@@H]2C1 1722704475 UKPPVFKTHYSEFU-MOPGFXCFSA-N 473.622 2.327 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1722729957 CMJGGRZQMGDBCN-FQEVSTJZSA-N 462.620 2.022 30 10 JEEE CC(C)NS(=O)(=O)CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)C[C@H](C)C#N 1722866902 DFYNGAPCTGAWCS-QGZVFWFLSA-N 497.666 2.316 30 10 JEEE C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1)N(C)C 1723821653 CEAYLXWAMVRYRA-OAQYLSRUSA-N 478.645 2.291 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCC(C#N)CC2)n1CCOc1ccc(S(C)(=O)=O)cc1 1727187669 FVGJFXHSFXVXRK-UHFFFAOYSA-N 488.614 2.419 30 10 JEEE CCCC(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NC(C)C)C1 1727892196 BXLHCVDREQMTHU-IBGZPJMESA-N 451.575 2.474 30 10 JEEE CN(CC(=O)N1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1CCC[C@H]1CCCCO1 1729372758 GMUOZKQAKFSGHN-OAQYLSRUSA-N 452.559 2.461 30 10 JEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](COc2ccccc2)C1 1740574805 NNPXIILXXVPLIC-UNMCSNQZSA-N 487.626 2.320 30 10 JEEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1740579389 OJHXFZYORAPIQR-HXUWFJFHSA-N 471.650 2.133 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ncc(CC)s1)[C@@H]1CCS(=O)(=O)C1 1740616857 IBBUFXCLRKNQNB-VGSWGCGISA-N 493.655 2.013 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1CC(C)(C)CN(C)C)[C@@H]1CCS(=O)(=O)C1 1740619344 HXKJDNQQKRXVBK-LJQANCHMSA-N 489.642 2.177 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@H]1CCSC1)[C@H]1CCS(=O)(=O)C1 1740624262 HGNDGSVDKMHNOZ-WBVHZDCISA-N 451.643 2.014 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1ccc(F)c(COC)c1)[C@H]1CCS(=O)(=O)C1 1740627336 PPARKVTZRJETNC-QUCCMNQESA-N 476.574 2.133 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCN(CC)C(C)C 1740639414 BEMRHWLDIKJFMC-HXUWFJFHSA-N 458.607 2.390 30 10 JEEE C#CCN(CC)c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1740666567 ULCZDEBDTCEYKF-QHCPKHFHSA-N 460.600 2.379 30 10 JEEE C#CCN1CCN(c2nnc(CSc3ccccc3OC)n2C[C@H](C)CN2CCOCC2)CC1 1740700009 BXSMZRJUPOCFTA-OAQYLSRUSA-N 484.670 2.303 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C2CC(C(C)(C)C)C2)CC1 1740706514 ZOZVICDKXAZHIX-VIQWUECVSA-N 461.632 2.143 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)N1CCN(c2ccccc2)CC1 1740724933 KMBSKZATVXNMHX-BPYKYCOYSA-N 499.685 2.091 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 1740794415 AAZDOTBOTWZRMH-VQTJNVASSA-N 462.620 2.428 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1740843691 NPUUNVURDBDBRE-MRXNPFEDSA-N 478.594 2.483 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(=O)N2CCCC2)n1C[C@]1(C)CN(C)C1=O 1740915975 ZWWORXMRZGJOGV-DEOSSOPVSA-N 452.559 2.194 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@H](C)[C@H]1CC 1740990032 GIZKIIZTPSHDIG-VQIMIIECSA-N 470.599 2.418 30 10 JEEE C#CCN(c1nnc(C2CC2)n1CC1=CCN(C(=O)OC(C)(C)C)CC1)[C@H]1CCS(=O)(=O)C1 1748814171 AFIVBTJRWZOTLO-IBGZPJMESA-N 475.615 2.349 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCN1CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1748824010 HEJCLMJBQPXMFV-PLACYPQZSA-N 477.675 2.308 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H](c2c(F)cccc2F)N(C)C)CC1 1748979432 ZNAVPKCEDFKSAZ-OFVILXPXSA-N 488.583 2.267 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(CN(CC)CC)cc2)CC1 1749009304 HNLRUPYCSMSKGF-QHCPKHFHSA-N 491.640 2.085 30 10 JEEE C=C(Br)Cn1c(N2CCN(C3CC3)C(=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1749112500 JXTOKMSVTGHIEA-LJQANCHMSA-N 454.369 2.038 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1749123195 BYQWTYVPOUUOIP-AZUAARDMSA-N 461.588 2.017 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(O)(Cc2ccccc2F)CC1 1749230480 XUUTZFZZCUMDPO-FQEVSTJZSA-N 492.617 2.486 30 10 JEEE C=C(Cl)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1749260509 AKQVOWRUSBHJGU-UHFFFAOYSA-N 473.946 2.209 30 10 JEEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2cc(F)ccc2C1 1749268486 BJIGEIPHHYYIHL-QGZVFWFLSA-N 455.943 2.065 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CC2(NC(=O)OC(C)(C)C)COC2)C1 1749710333 WERHJSLUZZZRTF-MSOLQXFVSA-N 463.579 2.247 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](CC)c2ccccc2)nnc1N1CCCN(C(C)=O)CC1 1749723572 AGYLRKZVOIGMRV-OAQYLSRUSA-N 459.616 2.479 30 10 JEEE CC(C)COc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)cc1 1750853489 HVAREUMKTPKBCI-KKSFZXQISA-N 464.567 2.413 30 10 JEEE C#CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1760137242 HJLIKRNRRUECIS-HXUWFJFHSA-N 471.631 2.269 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1CCCOC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1760186288 LTAZFVKRZIBRHO-GOSISDBHSA-N 452.621 2.079 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1CC1(N(C)C)Cc2ccccc2C1)[C@@H]1CCS(=O)(=O)C1 1760186872 RTJPZGFUHGWBJK-JOCHJYFZSA-N 469.655 2.203 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCc1ccc(Cl)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1760187930 MBYXTDRVWYABOH-MSOLQXFVSA-N 479.002 2.313 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1ccc(F)c(COC)c1)[C@@H]1CCS(=O)(=O)C1 1760190528 RPSOEVVZVGFKQI-OAQYLSRUSA-N 483.569 2.224 30 10 JEEE C#CCN(c1nnc(-c2cc(-c3ccccc3)on2)n1CCCCCO)[C@H]1CCS(=O)(=O)C1 1760190613 XWLKYFFUAOQBPG-IBGZPJMESA-N 469.567 2.389 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@](C)(O)c1ccsc1 1760215083 NYKWOHGPPBMCEK-QHCPKHFHSA-N 458.551 2.353 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1cn[nH]c1 1760219425 DQSAWKRGCNVYTB-IBGZPJMESA-N 453.547 2.015 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccc(OC(C)(C)C)nc2)CC1 1760257485 XMCKRWJSTIQYHY-VWLOTQADSA-N 468.602 2.306 30 10 JEEE C#CCSCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCCN(CC)C(=O)C1 1760280177 NSMGKJGHQOQWEG-UHFFFAOYSA-N 493.637 2.490 30 10 JEEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1760301737 INQRJBDYWWLSSA-SJORKVTESA-N 458.401 2.212 30 10 JEEE C=CCCOCCn1c(-c2ccccc2F)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1760448854 RPRWTTMKDMPXSB-QHCPKHFHSA-N 456.522 2.491 30 10 JEEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCN(CC)C1 1760503203 CINLSRTTWRAWIB-GOSISDBHSA-N 451.575 2.173 30 10 JEEE CC(C)(O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1760814872 DIYCSUPHIQXKNC-UHFFFAOYSA-N 478.532 2.424 30 10 JEEE CCN1CCN(C[C@H](C)Cn2c(C(C)C)nnc2N2CCN(c3nccnc3C#N)C[C@@H]2C)CC1 1767141532 DLLYGYUWPRCMJB-SFTDATJTSA-N 480.665 2.052 30 10 JEEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](C)C2)CC1=O 1771149380 CUUCHVBUWVWBDF-AZUAARDMSA-N 452.559 2.460 30 10 JEEE O=C(COCC1[C@@H]2CCC#CCC[C@@H]12)NCCOCCNC(=O)COC[C@@H]1[C@H]2CCC#CCC[C@H]21 1857792302 ZVQLLJYKJNISBS-HIILVWPSSA-N 484.637 2.148 30 10 JEEE COc1ccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2CCCNC=O)cc1O 1862755474 ZZDKJCJAICCHBJ-LJQANCHMSA-N 455.423 2.023 30 10 JEEE CCOCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)N=C1NS(=O)(=O)c2ccccc21 1869931781 HRIAVZJFUSOVMR-FQEVSTJZSA-N 454.552 2.361 30 10 JEEE C=CCn1cc(OCC(=O)Nc2sc3c(c2C#N)CCC3)c(=O)cc1CN1CCOCC1 1870324529 OFDNMORQZRYHDN-UHFFFAOYSA-N 454.552 2.306 30 10 JEEE C#CCOc1cn(CCc2ccc(OC)cc2)c(CN2CCN(c3ncccn3)CC2)cc1=O 1870560664 GHQWQSRKBARJDT-UHFFFAOYSA-N 459.550 2.224 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)Nc2nnc(C)s2)cn1C[C@H]1CCCO1 1870570962 OOMIPMLFSFNMAL-GOSISDBHSA-N 459.572 2.379 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)COc2nonc2C(=O)NCc2ccccc2)nc1C 1872706930 VQJMWIMZCMEDIY-UHFFFAOYSA-N 457.468 2.125 30 10 JEEE C=C(I)C[S@@](=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)O 1883745039 VDEXTMMECFVRMB-ZLOXQWCVSA-N 451.282 2.454 30 10 JEEE CC(C)N1C(=O)CS[C@H](C(=O)N2CCC([C@H]3CNC(=O)C3)CC2)[C@H]1c1ccc(C#N)cc1 1889333194 NIWVNXSYPWLLQL-PTUXOGIPSA-N 454.596 2.326 30 10 JEEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)N3[C@H]4CC[C@H]3CC3(C4)CN(C)C(=O)CO3)n[nH]2)c1C 1889492365 CEXNORGKTCBQQN-ROUUACIJSA-N 452.559 2.461 30 10 JEEE CC1(C)OB(c2cccc(CNS(=O)(=O)CCCCN3C(=O)c4ccccc4C3=O)c2)OC1(C)C 2089784824 OSEBAHGLRQRWBA-UHFFFAOYSA-N 498.410 2.482 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H](C(=O)NCc2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2180991729 QMNLIOQTOZVASL-IEBWSBKVSA-N 460.380 2.220 30 10 JEEE CC(C)(C)OC(=O)N1CCn2c(COc3ncccc3B3OC(C)(C)C(C)(C)O3)nnc2C1 2241079863 PEUWTTSGWFIJKD-UHFFFAOYSA-N 457.340 2.302 30 10 JEEE Cc1nn(C)c(C(=O)NC2CC(NC(=O)OCc3ccccc3)C2)c1B1OC(C)(C)C(C)(C)O1 2255631571 AVZONXVVOMCFHR-UHFFFAOYSA-N 468.363 2.215 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CC[S@@](=O)(=NC(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)C1 2255847646 RAXZYKLIMJUKHR-FYKVGYICSA-N 454.354 2.484 30 10 JEEE CC(C)(C)OC(=O)NC[C@]1(O)C[C@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C1 2256622225 DWPFOXOQSFHTAS-NJDVURJYSA-N 453.370 2.047 30 10 JEEE C[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 2256626853 OUABVSVLDWSEMR-STQMWFEESA-N 452.386 2.233 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ccsc2B2OC(C)(C)C(C)(C)O2)[C@H](CO)C1 2267456245 GWSOMVOMYRUNQY-HOCLYGCPSA-N 466.409 2.395 30 10 JEEE CO[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)N(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)C1 2267531539 RMKMZJNKZSNFIC-KBPBESRZSA-N 467.397 2.197 30 10 JEEE C=C(CS(=O)(=O)N1CC[C@@](CNC(=O)C(F)(F)F)(C2CC2)C1)B1OC(C)(C)C(C)(C)O1 2267725063 SNIJXQVFNOZHGW-SFHVURJKSA-N 466.331 2.284 30 10 JEEE CO[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2268638084 HGKUJMNGDAKGGA-IUODEOHRSA-N 453.320 2.387 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H](O)CCC(=O)N=c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)[nH]1 2268644509 QCHAENOKJJCLHA-ZDUSSCGKSA-N 469.775 2.060 30 10 JEEE CC(C)(C)OC(=O)Nc1cnn(CC(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)c1 2268709714 DTUCCRQTHXSXRY-UHFFFAOYSA-N 463.369 2.302 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](NC(=O)c2cc(F)ccc2B2OC(C)(C)C(C)(C)O2)C1 2281775471 FYLNSPIVZPDDEE-MSOLQXFVSA-N 464.343 2.225 30 10 JEEE Cn1ncc(C(=O)N[C@H]2C[C@H]3C[C@H]2CN(C(=O)OC(C)(C)C)C3)c1B1OC(C)(C)C(C)(C)O1 2281831039 UCJOLQLVSCIMSV-VYDXJSESSA-N 460.384 2.095 30 10 JEEE Cn1ncc(C(=O)NCC2CC3(C2)CN(C(=O)OC(C)(C)C)C3)c1B1OC(C)(C)C(C)(C)O1 2281832728 RMIAUNHDRQULEC-UHFFFAOYSA-N 460.384 2.096 30 10 JEEE CC[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2281971449 JKBMPCJWGJYWNN-RDJZCZTQSA-N 462.400 2.485 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)C(C)(C)[C@H]21 2281981891 JYSYVKAEZPYWCZ-COXVUDFISA-N 460.384 2.473 30 10 JEEE Cc1nn(C)c(C(=O)N[C@@]23CCN(C(=O)OC(C)(C)C)C[C@@H]2C3)c1B1OC(C)(C)C(C)(C)O1 2281988538 NYTOANXTQQETSO-NPMXOYFQSA-N 460.384 2.157 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2CN(C(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)C[C@@H]21 2281990738 QROFPXZZBYWBQI-HLLBOEOZSA-N 460.384 2.474 30 10 JEEE CC(C)(C)OC(=O)N1[C@H](CNC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)C[C@H]2OCC[C@H]21 2282021758 PKTUEXNBCHEVJW-NUEKZKHPSA-N 479.408 2.339 30 10 JEEE CC1(C)OB(c2cncc(S(=O)(=O)N3C[C@H]4C[C@H]3CN(Cc3ccccc3)C4)c2)OC1(C)C 2282349850 DQJLIGJFHILHAS-FPOVZHCZSA-N 469.416 2.276 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1 2282589681 QMJNGPDJUMIISZ-GJZGRUSLSA-N 462.400 2.498 30 10 JEEE Cc1c(C(=O)N(C)C[C@H]2CCN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282595386 SZFNWTZWESIBEE-MRXNPFEDSA-N 462.400 2.357 30 10 JEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)N[C@@H]1CCC=C1B1OC(C)(C)C(C)(C)O1 2283964043 NNNDMACOAMLUHS-NVXWUHKLSA-N 484.424 2.247 30 10 JEEE CN(C(=O)OC(C)(C)C)[C@H]1COC[C@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2283965787 TXNXOTXAZNIJFL-ZBFHGGJFSA-N 465.331 2.340 30 10 JEEE CO[C@@H](CNC(=O)OC(C)(C)C)C(=O)N1CCc2cccc(B3OC(C)(C)C(C)(C)O3)c2C1 2284003716 ICBQXWGCHPKZOR-IBGZPJMESA-N 460.380 2.410 30 10 JEEE CCN1C(=O)[C@@]2(C(=C(O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCOC)c2ccccc21 2296203777 OWISIZRLLOGWEG-VWLOTQADSA-N 464.474 2.047 30 10 JEEE C=CCN1C(=O)C(=Cc2c(N3CCC4(CC3)OCCO4)nc3ccccn3c2=O)SC1=S 2314433714 QYADHLQHNCEHCO-UHFFFAOYSA-N 470.576 2.425 30 10 JEEE CSc1nnc(C)c(=O)n1N=Cc1cc(Br)c(O)c(Br)c1O 2323019066 UOQPVWRCDYLWOR-UHFFFAOYSA-N 450.112 2.487 30 10 JEEE CC(C)(C)OC(=O)NC1(C(=O)N2C[C@@H](C#N)N3CC[C@H]2C3)CCN(Cc2ccccc2)CC1 2342884950 WETVUMLJAWNJFB-LEWJYISDSA-N 453.587 2.355 30 10 JEEE CNC(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)[C@H]1C[C@@H]1B1OC(C)(C)C(C)(C)O1 2343295406 OGBUUCMLOMMQKG-PMPSAXMXSA-N 451.373 2.053 30 10 JEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)N1CC[C@](C)(B2OC(C)(C)C(C)(C)O2)C1 2368335166 FPNYMUJWNWMRGX-AOMKIAJQSA-N 486.440 2.495 30 10 JEEE CN(C(=O)c1nn(C)c(Cl)c1B1OC(C)(C)C(C)(C)O1)[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1F 2369667021 HAHCBBJKMJRNGW-OLZOCXBDSA-N 486.781 2.402 30 10 JEEE Cc1ccc(/C=N/Nc2nc(SCCC(=O)Nc3ccc(S(N)(=O)=O)cc3)n[nH]2)cc1 20908352 CGGDCDNLQLLGMY-CIAFOILYSA-N 459.557 2.327 30 10 JEEE NC(=S)N1N=C(c2ccc([N+](=O)[O-])cc2)/C(=N/Nc2ccc(S(=O)(=O)O)c3ccccc23)C1=O 59461651 YNTZHSPQWFWJGH-NKFKGCMQSA-N 498.502 2.253 30 10 JEEE CCOC(=O)C1CCN(c2nc3c(c(=O)[nH]2)[C@@H](c2ccccc2Cl)[C@@H](C#N)C(=O)N3)CC1 72444628 XVOHEDWCPGWMSN-ZBFHGGJFSA-N 455.902 2.427 30 10 JEEE Cc1ccc(S(=O)(=O)N(C)c2c(C(=O)Nc3c(C#N)cnn3-c3ccccn3)cnn2C)cc1 170587561 SQVMJSWEIQUURS-UHFFFAOYSA-N 476.522 2.258 30 10 JEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC2CCCC2)c(=O)n1C[C@@H]1CCCO1 517988393 HNUHYGFLPUPWSP-FQEVSTJZSA-N 479.602 2.215 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)C[S@@](=O)CC(=O)c2ccc(NC(C)=O)cc2)nc1C 526898284 RLKAJQWQSXWZKJ-HKBQPEDESA-N 463.537 2.323 30 10 JEEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2cnn(Cc3ccccc3)c2)c(=O)n1Cc1ccccc1 731232933 OSLUSSVJMFUPGX-UHFFFAOYSA-N 483.597 2.231 30 10 JEEE C#Cc1cccc(NC(=O)CNS(=O)(=O)C[C@@H]2CCN(C(=O)OCc3ccccc3)C2)c1 1185653609 DHBCDKZUMJGXPO-HXUWFJFHSA-N 455.536 2.185 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(C(N)=O)CCCC1 1286296860 RWRGHJJRYAIPCU-IAGOWNOFSA-N 460.579 2.090 30 10 JEEE C#CCCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCN(C(=O)COC)CC1 1286324564 RPDQJUHWATUWPL-UHFFFAOYSA-N 491.596 2.334 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CC1(CC(C)C)CC1)[C@H]1CCS(=O)(=O)C1 1286381753 GQATUJLHCTZLJV-CVDCTZTESA-N 464.632 2.383 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H](CCC)OC)[C@@H]1CCS(=O)(=O)C1 1286384773 RYNIBAZJKSUNHI-MOPGFXCFSA-N 461.544 2.295 30 10 JEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1C[C@@H]1CCN(CC)C1)[C@H]1CCS(=O)(=O)C1 1286390383 AMTWJKUWLYSWPA-YADHBBJMSA-N 485.654 2.040 30 10 JEEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 1286396485 PWTYUFUYNYJOKL-PKOBYXMFSA-N 464.975 2.316 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCCNC(C)=O)CC1 1286488649 PUPJGVQUELDQGC-UHFFFAOYSA-N 474.512 2.039 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccc(F)c(C)c2)CC1 1286488774 SZRYVGSCLKBCIF-VWLOTQADSA-N 469.561 2.392 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2ccc(O)cc2C1 1286545857 CGAAPLZQSBKMRF-VPWXQRGCSA-N 461.588 2.138 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1286555921 MJUKCSNIRPPBAJ-MHORFTMASA-N 491.580 2.234 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1286568964 ZABMBCGXPXGPBD-UYWGQIMJSA-N 474.533 2.338 30 10 JEEE C=C(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCC[C@H](S(C)(=O)=O)C1)c1ccccc1 1286614893 DHWPHHKGXAPGBG-MJGOQNOKSA-N 481.644 2.005 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCOC)[C@H]1CC[C@H](C)C1 1286628686 FBPLTTLBGGPENW-XIRDDKMYSA-N 462.016 2.005 30 10 JEEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 1286703133 BQULPCLOCPRWIR-UHFFFAOYSA-N 469.565 2.267 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCO[C@@H]1CCCC[C@@H]1C)C1CC1 1286736677 HQPONBADIZNGQP-SXLOBPIMSA-N 467.636 2.361 30 10 JEEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1286785421 FHLHAJCYJITLTH-DOMZBBRYSA-N 477.447 2.052 30 10 JEEE C=CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1286831735 KDNNFWFXSRLSBQ-UHFFFAOYSA-N 474.606 2.100 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2C[C@H]2CCOC[C@H]2OC)c1 1300332699 LGWDCIOYYYSBMV-DENIHFKCSA-N 462.554 2.391 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1Cc1cccc(C2OCCO2)c1)[C@@H]1CCS(=O)(=O)C1 1300496286 PHNBKPPYTLNNLJ-HXUWFJFHSA-N 458.584 2.197 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1Cc1cc2c(cc1OC(F)F)OCO2)[C@H]1CCS(=O)(=O)C1 1300497393 YUKFIFRETYZTHW-INIZCTEOSA-N 496.536 2.482 30 10 JEEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(C[S@@](C)=O)cc1 1300512720 SIFSJIYZJDJQNQ-NRUKRWIHSA-N 454.596 2.318 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](CC=C)c2ccccc2)CC1 1300700721 UYDNFCXQTJPSII-YADHBBJMSA-N 453.612 2.295 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@@](C)(O)CCC(C)C)CC1 1300726100 HSOFSUGBGASNIE-VWLOTQADSA-N 452.603 2.417 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CC(C)(C)c2ccc(OC)cc2)CC1 1300728583 AMERDMQENSJNMK-UHFFFAOYSA-N 492.624 2.353 30 10 JEEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 1300763846 XUYZLYYOXSLPFF-FGZHOGPDSA-N 455.628 2.394 30 10 JEEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1300763915 YDQORMDAJJSHTK-VXKWHMMOSA-N 476.691 2.117 30 10 JEEE C=C(C)COCCn1c(-c2cc(Br)cn2C)nnc1N1CCN(C)C(=O)[C@@H]1C 1300974034 BLBSDEPAGBRCFY-AWEZNQCLSA-N 451.369 2.306 30 10 JEEE C=CCCCCn1c(N2CCC([C@]3(C)NC(=O)NC3=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1301198324 HAJWGRWGOMEXPI-BJKOFHAPSA-N 474.606 2.490 30 10 JEEE C=CCOc1ccccc1Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1301529266 KLJQMEIKFGUZEV-SFHVURJKSA-N 485.614 2.057 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1301540059 ZFTFKCXQNRGNIP-NBCNXNJRSA-N 497.017 2.402 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(F)cc3)n2CC(=O)NCC(F)(F)F)C1 1301566412 PWNBINGGVYMYHO-MRXNPFEDSA-N 457.428 2.456 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1301587699 XPQJWGJFCLWDST-HYBUGGRVSA-N 474.627 2.438 30 10 JEEE CC(C)[C@@H]1OCCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CC#N)CC1 1303833344 GYSYMIYWVGUBAR-UHOSZYNNSA-N 452.625 2.470 30 10 JEEE CCS(=O)(=O)NCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CC[C@](F)(C#N)C1 1314553935 DVZCMYQXBXWQDW-QFIPXVFZSA-N 488.545 2.498 30 10 JEEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)CN(C)C(=O)OC(C)(C)C)CCO1 1315006532 FJJNEWUICBDVIV-PXNSSMCTSA-N 497.600 2.271 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCc1cc2ccccc2o1)[C@@H]1CCS(=O)(=O)C1 1358954910 ALJQRUSFRXAJPE-GOSISDBHSA-N 469.567 2.032 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H](C)Oc1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 1358955254 IMMGZGBOSMHXEF-WMZOPIPTSA-N 494.017 2.164 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCC2(O)CCC2)CC1 1359039955 CBTUUCDLFUQASJ-UHFFFAOYSA-N 499.015 2.132 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ncc(CC)s1 1359113694 OEOALZKNWUKEIT-QGZVFWFLSA-N 468.649 2.275 30 10 JEEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1359128785 FYOUPYFHHFSJAH-LJQANCHMSA-N 474.009 2.329 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(S(C)(=O)=O)CC1 1359189737 SYDYCBREMHBRMD-LJQANCHMSA-N 461.588 2.475 30 10 JEEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1359227092 SNQKWNXXVIPODH-FCHUYYIVSA-N 474.650 2.288 30 10 JEEE C=CCN(CCOC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H]1CCS(=O)(=O)C1 1359280371 OORAIVTXGGUCIL-GOSISDBHSA-N 456.572 2.204 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCCC[C@@H](SC)C1 1359299093 UYBLFEJLIMGWJX-MRXNPFEDSA-N 467.599 2.216 30 10 JEEE CC(=O)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCOC[C@H]2CCCO2)CC1 1359374758 NJBGTDYGVMPDJC-JOCHJYFZSA-N 452.559 2.461 30 10 JEEE C#CCn1ccc(CN(CCOC)C(=O)NCCN2CCN(c3cccc(Cl)c3)CC2)n1 1478280982 NDDUMSZEDRKVTK-UHFFFAOYSA-N 458.994 2.150 30 10 JEEE C#CCCCCn1c(COc2ccc(C#N)cc2)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1507571017 NXGLNCIUHCLSEJ-HXUWFJFHSA-N 451.552 2.159 30 10 JEEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(NC(=O)C2CCCC2)c1 1507616316 ISWIKDFZWVYYCP-IBGZPJMESA-N 455.584 2.427 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCCN(C)C2CCCCC2)CC1 1507738662 UOYBCYYPKZLCGS-UHFFFAOYSA-N 466.634 2.299 30 10 JEEE C#CCSCCn1c(-c2cccnc2)nnc1N1CCC(CC(=O)N2CCN(CC)CC2)CC1 1507750114 IVWCTLISNYPGOU-UHFFFAOYSA-N 481.670 2.477 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccc2F)nnc1N1CCN(CC(=O)N(C)C)CC1 1507797694 SJNACLIMGZFWRY-XMSQKQJNSA-N 456.566 2.276 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 1508080934 GGYKJDLNNYBOJV-UHFFFAOYSA-N 453.591 2.061 30 10 JEEE C=CCOc1ccc(Cn2c(COCC)nnc2N2CCN(C(=O)N3CCOCC3)CC2)cc1 1508104105 KKYYDTQCANJQOO-UHFFFAOYSA-N 470.574 2.002 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCN2CCOC[C@@H]2C)C1 1508110757 UTJZXGCSEGCICP-RXVVDRJESA-N 489.020 2.364 30 10 JEEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(C)C)CC1 1508161425 LXZKJDZQYIPTCZ-GOSISDBHSA-N 457.666 2.403 30 10 JEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2nc3cc(C)ccc3o2)CC1 1539053162 LRDYGGVSVJJPMU-SFHVURJKSA-N 485.614 2.468 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCc1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 1539203722 TZXIVJUHWQMRSV-IBGZPJMESA-N 498.996 2.448 30 10 JEEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1Cc1cccc(N2CCOCC2)n1 1539377121 FGEIYFKVHAVMJB-UHFFFAOYSA-N 465.583 2.009 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cc(Br)cs2)CC1 1539427377 CPLGROISMFCKRX-UHFFFAOYSA-N 463.405 2.142 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@]2(O)CCSC2)CC1 1539468379 FNFIABLHABJRCU-BXKMTCNYSA-N 487.601 2.391 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2cccc(C)c2)CC1 1539489848 PEZWKLWQDSUXRY-VXKWHMMOSA-N 451.571 2.325 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2OCC)nnc1N1CCO[C@H](C(=O)NC)C1 1539642623 RLJZLIISRSIEQC-JZWVFAODSA-N 485.585 2.188 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1540862583 FKXYKDKXPCDAGT-UXHICEINSA-N 486.592 2.408 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC(NC(=O)C2CC2)CC1 1540866384 LQMLATUHSMWYNT-UHFFFAOYSA-N 472.977 2.404 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1540904517 NJRCUPQWPSEAFN-UHFFFAOYSA-N 488.017 2.240 30 10 JEEE C[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C#N)cn2)CC1)c1ccccc1 1541834967 HJZLNXQZKSTWMV-RBUKOAKNSA-N 494.625 2.285 30 10 JEEE CSCc1cccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)c1 1555889631 CVURCAXHILZCKX-IFXJQAMLSA-N 452.581 2.242 30 10 JEEE C=CCN1CC[C@H](N(C)C(=O)c2cc(S(=O)(=O)Nc3ccccc3OC)ccc2O)C1=O 1556383509 SVBCBKQKEXRIDN-SFHVURJKSA-N 459.524 2.061 30 10 JEEE N#Cc1ccc(S(=O)(=O)CCN2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)nc1 1559609458 GAJIFVUBZBVWPX-UHFFFAOYSA-N 452.458 2.204 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)CC)n2CC2(C(N)=O)CCOCC2)c1 1587684067 RVSDEDVQZNARCY-QGZVFWFLSA-N 452.559 2.130 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2C[C@H]2NC(=O)CC2(C)C)c1 1587697634 VKQDGHADGBSEDN-OAQYLSRUSA-N 471.565 2.235 30 10 JEEE C#CCCCCn1c(C2CCC2)nnc1N1C[C@@H]2[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1587759540 WOFQOBDTILYKII-CEXWTWQISA-N 477.631 2.476 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Br)n1CCOCC)[C@H]1CCS(=O)(=O)C1 1588045708 PDZFLRNAKVKSBS-HNNXBMFYSA-N 467.389 2.371 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1(O)CC(OCC)C1 1588219694 ZFHAZJRNDQDPJF-UHFFFAOYSA-N 474.565 2.068 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2C[C@](C)(O)[C@@H](C)CC)CC1 1588907828 GXEGBWWGDBPLEI-QYBDOPJKSA-N 481.597 2.479 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCOc2ccc(F)c(F)c2)CC1 1588930087 NGUMZMLSOKTJTJ-QGZVFWFLSA-N 459.497 2.105 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1589559967 VXYUWADTYLTMIV-XMSQKQJNSA-N 474.631 2.105 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)c1c(C)noc1C 1589664265 WRKWBVVFBJDHRX-QAPCUYQASA-N 466.608 2.422 30 10 JEEE C=C(C)COCCn1c(-c2cccc3cccnc23)nnc1N1CCN(CC(=O)N(C)C)CC1 1593721714 CTUXAVHNGZSVKU-UHFFFAOYSA-N 463.586 2.296 30 10 JEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(c2ccccc2)CC1 1594732529 FWCMLHXTUYLQQN-NRFANRHFSA-N 474.631 2.294 30 10 JEEE C=CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1595319405 OTHIPVHRMXFSOK-MRXNPFEDSA-N 476.534 2.383 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N(C)CCc1cnccn1 1595489443 GSIZFSALWMNCTK-UHFFFAOYSA-N 456.348 2.479 30 10 JEEE CCS(=O)(=O)N[C@@H](CCSC)C(=O)N1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 1634564658 FWMSKFQCQZSKSL-ZWKOTPCHSA-N 459.037 2.110 30 10 JEEE CCOC(=O)[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1)[C@H](O)c1ccc(Cl)cc1 1641009941 DMGDXKFBRCBGHK-ZLGUVYLKSA-N 455.898 2.346 30 10 JEEE CC(C)(C)OC(=O)NC[C@H](NC(=O)CNS(=O)(=O)c1cccc(C#N)c1)C1CCCC1 1641508364 GHRNHQCEJPQAIG-SFHVURJKSA-N 450.561 2.036 30 10 JEEE CC(C)(C)OC(=O)NCCC(=O)NC[C@@H]1CCCCN1S(=O)(=O)c1ccccc1C#N 1661556884 APGNHNLZEVJWII-KRWDZBQOSA-N 450.561 2.132 30 10 JEEE C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)NCc2ccc(N(C)S(C)(=O)=O)cc2)cc1 1676356084 CEDQRRACDWWKAZ-CQSZACIVSA-N 450.542 2.090 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCn1cc(Br)cn1 1689839348 GCGXDEGFUHYLDH-HNNXBMFYSA-N 481.362 2.428 30 10 JEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1689936805 FCIHVQLGCMBMKT-UHFFFAOYSA-N 455.588 2.021 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CC(C)(C)CN(C)C)[C@H]1CCS(=O)(=O)C1 1689984469 PYQRHALLBVBNAR-KRWDZBQOSA-N 465.023 2.208 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1CCc1cccnc1)[C@@H]1CCS(=O)(=O)C1 1689991979 FIENBVREXBYBIN-OAQYLSRUSA-N 465.579 2.142 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CCN(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1689995794 ADZJGVLWSZOQSU-FQEVSTJZSA-N 459.616 2.132 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1cnn(-c2ccccc2)c1 1690190400 TWMULGWKHPIDLC-WZONZLPQSA-N 467.599 2.309 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCN(CC(F)(F)F)CC1 1690250892 MSQZEMMRXCWJEQ-VQIMIIECSA-N 456.513 2.066 30 10 JEEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1(C(=O)NCC)CCC1 1690516444 JNVDURXRHSFFFE-UHFFFAOYSA-N 459.620 2.475 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccccn1 1690565685 PUCCMJWNNYZJDC-QFIPXVFZSA-N 482.610 2.441 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1690672998 KNDWSYBQLVYCFP-GOSISDBHSA-N 451.531 2.255 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN2CCCC[C@@H]2C1 1690714086 DOSPANCGXJXYQS-OAQYLSRUSA-N 486.642 2.423 30 10 JEEE Cc1cc(C)n(C[C@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CC(=O)NC(C)C)CCO2)n1 1693435392 BHROOOQAIWSYOX-OAQYLSRUSA-N 462.558 2.060 30 10 JEEE CN(Cc1cccc(C#N)c1)c1nnc(Cc2ccccn2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1696689093 FQDWOJOPIHNRCE-FQEVSTJZSA-N 465.583 2.053 30 10 JEEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)N2CCC(C)CC2)CC1=O 1698096075 BXAFKERMPHCDSB-NRFANRHFSA-N 495.628 2.144 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@]1(C)CN(C2CC2)C1=O 1705481531 IJJBCKCGJMXCOO-OWJWWREXSA-N 453.543 2.440 30 10 JEEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1705509049 BVEKRNNWZLLTRI-QUCCMNQESA-N 475.615 2.239 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1cc(COC(C)(C)C)on1)[C@H]1CCS(=O)(=O)C1 1705570942 VTJQYVLNEHVAPB-FQEVSTJZSA-N 498.609 2.242 30 10 JEEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(OC(F)F)c(OCC)c2)CC1 1705642053 DZMPEVMIUQBBLC-UHFFFAOYSA-N 488.539 2.204 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@H]2CCOC[C@H]2OC)CC1 1705651487 YMTAZPBHMLOSRT-FYYLOGMGSA-N 481.597 2.183 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2snnc2C)CC1 1705652539 CXDFHYDBEHEINK-IEBWSBKVSA-N 471.631 2.371 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CCOC(C)C)CC1 1705693515 HLPIOPFIJULAOY-RTWAWAEBSA-N 460.623 2.042 30 10 JEEE C=CC[C@@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](OC)C1)c1ccccc1 1705797625 ZHRFTNPXDAORNV-PCCBWWKXSA-N 475.615 2.196 30 10 JEEE 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 1705834123 DUPWKLUZIUYDRM-LUKYLMHMSA-N 468.624 2.014 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2ccccn2)n1CC(=O)N1CCOCC1 1705861199 XAHKTAFPPSDJPU-UHFFFAOYSA-N 457.538 2.187 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1705908677 SYLUNHBTJQRPLA-QQMNAOGKSA-N 459.522 2.071 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 1705932632 XBXGECBHADCOJW-QGZVFWFLSA-N 478.619 2.235 30 10 JEEE CC(C)(C)S(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](N2CCCC2=O)C1 1706185822 BMXSFVBWEXQRHF-IBGZPJMESA-N 470.599 2.231 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(Cl)c2)n1CCS(=O)(=O)N1CCSCC1 1722276967 KNBOYHUXIIVJME-HNNXBMFYSA-N 454.021 2.435 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(C)(C)C(=O)NCC 1722295726 LICSHWRTQWZLPP-IRXDYDNUSA-N 462.595 2.207 30 10 JEEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@H]1NC(=O)CC1(C)C 1722303442 ZGPVXWDNYYRQIP-RBBKRZOGSA-N 463.630 2.015 30 10 JEEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCN([C@H](C)c2nc(CC)no2)CC1 1722318574 QETLENAWOQULLQ-GOSISDBHSA-N 454.579 2.033 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1nnc(C(C)(C)C)s1)[C@@H]1CCS(=O)(=O)C1 1722369454 ZMNULNMPFZBBTB-HZPDHXFCSA-N 478.644 2.344 30 10 JEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCNC(=O)c1cccs1 1722375725 GLQCSIMZEBBQIP-UHFFFAOYSA-N 495.634 2.111 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1coc(-c2ccc(C)cc2)n1 1722412915 FTIWHIOOBGFUAD-OAQYLSRUSA-N 498.609 2.277 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@](O)(c2ccccc2)C(F)(F)F)CC1 1722431207 HGMHHKGZFFXXPV-HSZRJFAPSA-N 499.497 2.131 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCCCN2C[C@@H](C)C[C@@H](C)C2)CC1 1722440314 CIMASVNCAWIMHN-SZPZYZBQSA-N 497.688 2.238 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC1 1722440851 FQOZFKDTBHVDBT-HXUWFJFHSA-N 496.509 2.015 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CC(=O)N(C)C)CC1 1722444230 HUTDTVNRUIEWOZ-MRXNPFEDSA-N 472.977 2.126 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1722494100 MORPUMMHPWJTJC-MSOLQXFVSA-N 461.611 2.028 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(c2ncccc2F)CC1 1722537590 OSAMWDLBSAMAGK-GOSISDBHSA-N 478.594 2.024 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1722588452 SUJQYBMISQOMGY-LJQANCHMSA-N 487.626 2.451 30 10 JEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1722617383 JEIMIZRMMPWELO-KFWWJZLASA-N 451.515 2.212 30 10 JEEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(C)nc(N2CCCC2)c1)C1CC1 1722646902 MYHOECQZHGCIPU-KRWDZBQOSA-N 459.620 2.395 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 1722692153 FYSHVBIEYRJWSD-CTNGQTDRSA-N 467.618 2.208 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1722694374 UGEIITMCXIGTJD-GJZGRUSLSA-N 465.645 2.303 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCCN(CC)C(=O)C1 1722723757 DKYDUGRIYOAYKN-QGZVFWFLSA-N 479.578 2.217 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1C[C@H](c2ccc(F)cc2)O[C@H](C)C1 1722728362 QNCYDMQFSPQSOP-YVWKXTFCSA-N 464.563 2.488 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Br)s2)nnc1N1CC[C@](C)(C(N)=O)C1 1722751757 UEMZNYZGXAEXAZ-KRWDZBQOSA-N 488.433 2.072 30 10 JEEE CN(CCn1cccn1)c1nnc(-c2cccc(C#N)c2)n1C[C@H](N1CCOCC1)C(F)(F)F 1729537389 FCERMNJNHSKOJV-IBGZPJMESA-N 474.491 2.413 30 10 JEEE COC1(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)CCCC1 1729952701 HVJNJUVZQFYSMS-GOSISDBHSA-N 459.572 2.311 30 10 JEEE COCC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(C(=O)C2CC2)CC1 1730624850 HOVXNAZKIHTIBG-DEOSSOPVSA-N 452.559 2.053 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1CCN(C(C)=O)CC1 1740539014 QXUBDPFNOFTRPI-INIZCTEOSA-N 471.631 2.263 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@H]1CSCCS1)[C@H]1CCS(=O)(=O)C1 1740618951 DTCREEJBTROJJX-HKUYNNGSSA-N 478.665 2.429 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@@H]1CCOC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1740625821 QINBLEMGRQSCQR-BVSLBCMMSA-N 456.612 2.477 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1csc(C(C)(C)C)n1 1740649615 YLKBEAGVQCXPQJ-INIZCTEOSA-N 462.645 2.348 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2cccc(C(N)=O)c2)CC1 1740702111 WCUCLYMGVUPQLH-UHFFFAOYSA-N 477.956 2.107 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4ccccc4n3)n2CCC(=O)NCCC)CC1 1740704597 UIIDGOSYPWTVAD-UHFFFAOYSA-N 473.581 2.375 30 10 JEEE C=C(Br)Cn1c(-c2cnccn2)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1740742196 GJCIQXMGVUHVSK-UHFFFAOYSA-N 485.346 2.185 30 10 JEEE C=C(C)Cn1c(N2CCN(c3nc(C)cc(OCC)n3)CC2)nnc1[C@]1(OCC)CCOC1 1740786267 XODDKECHYIJYKY-QHCPKHFHSA-N 457.579 2.330 30 10 JEEE C=C(Cn1c(N2CCO[C@@H](CNC(C)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1)c1ccccc1 1740801073 ZHFOAANZKXHFLS-WIOPSUGQSA-N 469.586 2.373 30 10 JEEE C=CCCOCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(C(C)=O)C[C@@H]1C 1740887680 FEHFXCMCEVPJMW-KRWDZBQOSA-N 489.646 2.196 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1740953641 MOYUOBGLZOLSMH-QHCPKHFHSA-N 475.615 2.292 30 10 JEEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1740961686 WORYJZPVXDWSGN-QHCPKHFHSA-N 461.513 2.224 30 10 JEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCN(c2ccccc2F)CC1 1740962136 UCUYLUSJQLLWHA-UHFFFAOYSA-N 455.563 2.402 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)c2cccs2)CC1 1740986492 ZBHFVGABLYFIKE-UHFFFAOYSA-N 491.639 2.276 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](C)C1 1740993188 YXBKRJFEUMUBJK-SJORKVTESA-N 469.608 2.034 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCCN(C(C)C)CC1 1740993923 GEKQQBHLROEMBZ-UHFFFAOYSA-N 452.650 2.155 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 1740995209 DIPSLBCMNRKETL-UYAOXDASSA-N 479.647 2.205 30 10 JEEE CC(=O)N(C)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCN2CCCO)CC1 1741012011 BUPLUGOMLPDOMP-HSZRJFAPSA-N 495.628 2.023 30 10 JEEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1745883375 HOSGOIDZNDVAGK-UHFFFAOYSA-N 464.574 2.023 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ccc(OCCC)cc1)[C@H]1CCS(=O)(=O)C1 1748811213 DEKKQFBPVLGKDL-IBGZPJMESA-N 466.567 2.199 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H](CC(C)C)NC(=O)OCC)[C@H]1CCS(=O)(=O)C1 1748812116 QIMFKBUCOPFFGQ-MOPGFXCFSA-N 488.614 2.128 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1CC1(C(=O)NCC)CCC1)[C@@H]1CCS(=O)(=O)C1 1748819133 LHGALNUIKMLMPD-OAQYLSRUSA-N 483.638 2.110 30 10 JEEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1Cc1ccnc(OCC(F)(F)F)c1 1748842138 DODVGPVYWXHLHU-UHFFFAOYSA-N 472.427 2.463 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2Cc2ncccc2N(C)C)CC1 1749017056 UPVSQMDUTKLMNN-UHFFFAOYSA-N 478.626 2.109 30 10 JEEE C=C(Br)Cn1c(COc2ccc(Cl)cc2)nnc1N(C)CCNS(C)(=O)=O 1749109906 CSCATVGOFSVGTH-UHFFFAOYSA-N 478.800 2.405 30 10 JEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 1749457011 DRGSVDWZHCVLDO-GOSISDBHSA-N 491.614 2.073 30 10 JEEE C=CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCC[C@@H]1NC(=O)NC1=O)C1CC1 1749528445 PQGHXAYSUXQVRW-UXLLHSPISA-N 473.578 2.192 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@H](C)CC[C@H]1C 1749726784 DPXVFJXKIGWRMM-IAGOWNOFSA-N 456.576 2.146 30 10 JEEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1749738071 DLRXHLLONVSIAP-QGZVFWFLSA-N 481.644 2.122 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCNC(=O)[C@@H](C)CCC 1760113291 SFVSZLBDDLITEH-RBUKOAKNSA-N 452.607 2.462 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1[C@H]1C[C@H](c2cccc(F)c2)C1 1760117639 RRJBNFVPCNHIDF-LWCVALJOSA-N 461.563 2.327 30 10 JEEE C#CCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCNS(=O)(=O)c1ccc(C)s1 1760173377 SLZRITZSMOFBTF-UHFFFAOYSA-N 460.541 2.271 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1Cc1cc(C)nn1C)[C@@H]1CCS(=O)(=O)C1 1760182998 LDUCBDMRMOIKGI-MRXNPFEDSA-N 476.965 2.455 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCNC(=O)C1CC1 1760216293 IAELNQJYTLMZGV-UHFFFAOYSA-N 471.565 2.054 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccc2OC)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1760323570 DVVLJFFNMQXAPT-KNKQGSTJSA-N 460.600 2.482 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(C)C(=O)C1 1760356344 LQNQOTQULPCNKY-GOSISDBHSA-N 462.595 2.264 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC(=O)N(C)[C@H](C)C1 1760533659 LCDYLUUHSFKYAT-LZNRXBQRSA-N 455.559 2.282 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H](C)O[C@@H](COC)C1 1760557951 BDKSIVYORCVLHK-WJFTUGDTSA-N 470.636 2.038 30 10 JEEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1c(F)cccc1F)N(C)C 1761362748 HTKJROHMYFTTRE-RKVPGOIHSA-N 466.558 2.500 30 10 JEEE CC1CCN([C@@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@H](C(N)=O)C2)CC1 1762948238 FGRLCMFOFRZUGY-ICSRJNTNSA-N 451.575 2.161 30 10 JEEE CN(CCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCO[C@@H](C#N)C1)CC(F)(F)F 1768888735 FLJAHLNUWZMDCC-AWEZNQCLSA-N 476.463 2.207 30 10 JEEE COc1ccccc1OC[C@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1 1768960688 BZXNBNVCYHRKBQ-DRSNIGMVSA-N 477.562 2.346 30 10 JEEE Cn1ccc(CCn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CC[C@](F)(C#N)C2)n1 1769022309 DQKZXLKGBNTPDT-NRFANRHFSA-N 456.913 2.280 30 10 JEEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCN(c2ccccc2)CC1 1772564396 VXHCWZGMDSHMNK-FQEVSTJZSA-N 458.632 2.015 30 10 JEEE CC(=O)O[C@@]1(C(=O)CO)[C@@H](C)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 1775963318 KPAAFLZUAVPWNQ-DULNGIFPSA-N 452.494 2.415 30 10 JEEE Nc1cccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(S(N)(=O)=O)cc3)[C@H]2c2cccc(O)c2)c1 1862555477 WINCHNLJZBBMQJ-QFIPXVFZSA-N 493.541 2.443 30 10 JEEE C=CCOc1ccccc1[C@@H]1C(C(=O)NCCCO)=C(N)Oc2c1c(C(F)(F)F)nn2C 1864322478 NZKWMZWZOVUOAJ-AWEZNQCLSA-N 452.433 2.197 30 10 JEEE C=CCn1cc(OCC(=O)NC[C@@H]2CCCO2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870542572 WPNAIXOSXYSJJE-DEOSSOPVSA-N 496.608 2.039 30 10 JEEE C=CCN(CC=C)c1nc(=NCCCN2CCCC2=O)[nH]c(=Nc2ccc(OC)c(OC)c2)[nH]1 1871542773 XMGHRKCHWGJDBE-UHFFFAOYSA-N 467.574 2.079 30 10 JEEE Cc1ccnc(N2CCN(C(=O)[C@H]3SCC(=O)N(C(C)C)[C@@H]3c3ccc(C#N)cc3)CC2)n1 1889546890 AFXMDESWHSTXGM-YADHBBJMSA-N 464.595 2.399 30 10 JEEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)CCc3ccc(S(C)(=O)=O)cc3)CC2)CC1 1890393782 QSNSHLOJPSCLSJ-UHFFFAOYSA-N 489.682 2.060 30 10 JEEE COc1cccc(S(=O)(=O)NCc2ccc(C(=O)NCC#CCN3CCCCC3)cc2)c1 1891283266 JWABRZIFRYDQGP-UHFFFAOYSA-N 455.580 2.393 30 10 JEEE CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2124532257 JJOMKXVZMASIMB-CYBMUJFWSA-N 454.283 2.359 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1CCC[C@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)O1 2193845518 KQXBDAQDIBOGGV-HZPDHXFCSA-N 462.356 2.177 30 10 JEEE CC(C)(C)OC(=O)N[C@@]1(C(=O)O)CCN(c2nccc(B3OC(C)(C)C(C)(C)O3)c2F)C1 2266056823 IKENDBILTMZDTL-NRFANRHFSA-N 451.304 2.078 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](NC(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)CCO1 2267005918 KFIAZRWREVVLDU-CVEARBPZSA-N 450.341 2.381 30 10 JEEE COC[C@@]1(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)CCN(C(=O)OC(C)(C)C)C1 2267151077 GZJMIURNSSKCJU-OAQYLSRUSA-N 467.397 2.198 30 10 JEEE CC[C@H](CN(CC)C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2267177867 UUMIFJNANYSYJL-OAHLLOKOSA-N 450.389 2.485 30 10 JEEE C=C(CS(=O)(=O)NC[C@H](C)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2267471405 SPIFNOJBHLVHCG-BTYIYWSLSA-N 474.429 2.101 30 10 JEEE Cc1cc(C(=O)NCCN(C[C@H](C)O)C(=O)OC(C)(C)C)oc1B1OC(C)(C)C(C)(C)O1 2267518406 BEJYVOVLKOYAQD-HNNXBMFYSA-N 452.357 2.235 30 10 JEEE C=C(CS(=O)(=O)N1CCC[C@@H]2CC[C@@]21CNC(=O)C(F)(F)F)B1OC(C)(C)C(C)(C)O1 2267722160 IQWMUNHLINNQBW-RDTXWAMCSA-N 466.331 2.427 30 10 JEEE C[C@@H](NC(=O)[C@H](CN(C)C)NC(=O)OC(C)(C)C)c1nscc1B1OC(C)(C)C(C)(C)O1 2268654525 ANEFMYJNOCDRHA-HIFRSBDPSA-N 468.429 2.074 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](OCC(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)C1 2268712911 YDANPLABQOTXOO-CQSZACIVSA-N 467.397 2.085 30 10 JEEE CC(C)(C)OC(=O)NC1(C(=O)Nc2nc(B3OC(C)(C)C(C)(C)O3)ccc2Cl)CC(O)C1 2268715415 IESZICFDHMEQQO-UHFFFAOYSA-N 467.759 2.391 30 10 JEEE CC1(C)OB(c2cscc2S(=O)(=O)N[C@@H](COCc2ccccc2)CC(=O)O)OC1(C)C 2269015058 DCGULVWWYXRYHK-MRXNPFEDSA-N 481.401 2.386 30 10 JEEE Cc1cc(C(=O)N(CCNC(=O)OC(C)(C)C)C[C@@H](C)O)oc1B1OC(C)(C)C(C)(C)O1 2269896236 VRQWXHXJAZOGJX-OAHLLOKOSA-N 452.357 2.235 30 10 JEEE C[C@@H]1CCN(C(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)C[C@H]1CNC(=O)OC(C)(C)C 2281825926 CQJZZQKHVDJPTD-HZPDHXFCSA-N 462.400 2.342 30 10 JEEE 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)F 2281926370 MSMPKFVDAWULPR-STQMWFEESA-N 474.289 2.237 30 10 JEEE Cc1nn(C)c(C(=O)N2C[C@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C2)c1B1OC(C)(C)C(C)(C)O1 2281977728 TUGCRXWWQXTLEQ-GASCZTMLSA-N 462.400 2.498 30 10 JEEE CCc1nn(C)c(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)c1B1OC(C)(C)C(C)(C)O1 2281981055 XJMCFOUIGZJPNT-ZBFHGGJFSA-N 462.400 2.267 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@H]1CN(CCO)C(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2282028188 AJCDYPRXKDMFDW-HNNXBMFYSA-N 481.424 2.276 30 10 JEEE C[C@H]1C[C@H](CNC(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CCN1C(=O)OC(C)(C)C 2282039207 RMWBRVIFJQQPFU-JKSUJKDBSA-N 462.400 2.485 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2O)c1 2282108387 XPAPZQWETIAOTL-OALUTQOASA-N 460.380 2.394 30 10 JEEE Cc1cc(S(=O)(=O)NC2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)ccc1B1OC(C)(C)C(C)(C)O1 2282326780 XVLIQIAKSJNBBB-IRXDYDNUSA-N 478.420 2.438 30 10 JEEE CN(Cc1ccccc1)C1(CNS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)nn2C)CCC1 2282330980 IEVCJWGUKBZYRR-UHFFFAOYSA-N 474.436 2.052 30 10 JEEE Cc1nc(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)s1 2282519086 ITJKKRSTRFKIIY-NHIYQJMISA-N 479.408 2.161 30 10 JEEE CC(C)(C)OC(=O)NCC1(CO)CCN(C(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)CC1 2282534214 DQELUSVOWCTKGB-UHFFFAOYSA-N 464.368 2.318 30 10 JEEE C[C@H](NC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 2282546915 NGMXZIATUBOFLF-JKSUJKDBSA-N 462.400 2.485 30 10 JEEE Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H](O)C1 2282683849 JCINUIVRQBAQDF-QGZVFWFLSA-N 460.380 2.348 30 10 JEEE CN(C1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12)S(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2282867276 WJEVKIDELAVOCU-HZPDHXFCSA-N 478.420 2.472 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CC12CCC2 2283055097 CYOXIOMPNIADCI-HNNXBMFYSA-N 458.368 2.295 30 10 JEEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)N1CCc2cc(B3OC(C)(C)C(C)(C)O3)ccc2C1 2283977047 LEVPAINFCYMTBO-DNVCBOLYSA-N 460.380 2.145 30 10 JEEE CC1(C)OB(c2cccc(CS(=O)(=O)N[C@H](COCc3ccccc3)C(=O)O)c2)OC1(C)C 2284395257 JKQKBRGXBICNBV-HXUWFJFHSA-N 475.372 2.075 30 10 JEEE COc1nc(O[C@H]2COC[C@H]2N(C)C(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2339825384 PGYKKNKWAXVNTA-CVEARBPZSA-N 450.341 2.403 30 10 JEEE COc1[nH]c(=NC[C@@H]2C[C@H](OC)CN2C(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2365349115 ZRGYCHFWTUHJHR-HOTGVXAUSA-N 463.384 2.248 30 10 JEEE Cn1ncc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H]3CCC[C@@H]32)c1B1OC(C)(C)C(C)(C)O1 2367684602 JBMQTVQXONMUQX-IRXDYDNUSA-N 460.384 2.333 30 10 JEEE CCOC(=O)N1CCC(NC(=O)Cc2cc(=O)[nH]c(SCc3ccc(C#N)cc3)n2)CC1 23243366 AKJZPRJFOPSYJQ-UHFFFAOYSA-N 455.540 2.213 30 10 JEEE C=CCOc1ccc(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)cc1OC 29149424 FMOCFDXQRNZTMN-UHFFFAOYSA-N 452.554 2.272 30 10 JEEE Cc1cccc(-n2c(=C(C#N)C(=O)NCC(C)C)sc(=Cc3cnn4ccccc34)c2=O)c1C 729668489 KEEMPJOKZSGSBV-UHFFFAOYSA-N 471.586 2.439 30 10 JEEE C=CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCNC(=O)[C@H]1CC(=O)O 757248820 KYXLYWZQYNPNFR-FCHUYYIVSA-N 477.517 2.272 30 10 JEEE CC(C)C1=C(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)C(C2=C=C=C(F)C#C2)=N[C-](N(C)S(C)(O)O)N1 1083076701 KXZPEZPRGXKZER-VEUZHWNKSA-N 480.538 2.308 30 10 JEEE COc1ccc(NC(=O)CSc2nnc(NN=Cc3cc(OC)ccc3O)n2N)c(C)c1 1084361447 AQZBMWNNYZFYHU-UHFFFAOYSA-N 457.516 2.200 30 10 JEEE C=CCc1cc(CNC(=O)[C@@H]2C[C@H](O)CN2C(=O)Cc2ccccc2F)cc(OC)c1OC 1136460637 JDWYIVDSTWCBJM-FPOVZHCZSA-N 456.514 2.392 30 10 JEEE C#Cc1cccc(NC(=O)CNC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)c(OC)c2)c1 1215321169 IIQDCOMBFNXJRB-UHFFFAOYSA-N 456.524 2.221 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccnc(OC2CCOCC2)c1 1286275013 MLHOCINPJASJCQ-KOSHJBKYSA-N 455.559 2.389 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2CCCN2CCOC2=O)c1 1286311717 PMUFXZIPFXGOOS-UHFFFAOYSA-N 473.537 2.162 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCN(C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1286380689 CPHQFQKHBHQOGW-MRXNPFEDSA-N 483.436 2.003 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC1(c2ccccc2)CCC1)[C@@H]1CCS(=O)(=O)C1 1286381839 OFGGDJVSHREVEU-HXUWFJFHSA-N 469.611 2.165 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H](C1CCCCC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1286387676 TXQIZJJRMSXBMR-RBBKRZOGSA-N 470.643 2.477 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@H](C)c1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1286394482 JAZQWYIFGQVTPA-YWZLYKJASA-N 485.614 2.175 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2CC(C)(C)N2CCOCC2)CC1 1286491278 LKWBSOOGHJTAEO-UHFFFAOYSA-N 482.604 2.085 30 10 JEEE C=CCCOCCn1c(Cc2csc(C)n2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1286713047 SNIGBPRBMPUBOX-XMSQKQJNSA-N 487.674 2.215 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CCN(C)CC(F)(F)F 1288154354 GBSLFUVENCYPKF-UHFFFAOYSA-N 496.513 2.248 30 10 JEEE CC1(C)CCC[C@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1289003325 FQZOTMJJGFKGPV-ROUUACIJSA-N 450.609 2.177 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCNC(=O)OC(C)(C)C 1300282843 JOSMWNBDPSWZMI-MRXNPFEDSA-N 476.603 2.178 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCc1ccccn1)[C@@H]1CCS(=O)(=O)C1 1300482635 GUZNMHBEDLWCMF-QGZVFWFLSA-N 489.399 2.300 30 10 JEEE C#CCN(c1nnc(CSc2ccc(Cl)cc2)n1Cc1cnnn1C)[C@H]1CCS(=O)(=O)C1 1300504604 ORRWDNORWHNTKW-INIZCTEOSA-N 492.030 2.027 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCOC3)n2Cc2c(C)nn(C)c2C)n1 1300681536 SXURCTPSNZYCDT-FQEVSTJZSA-N 466.590 2.053 30 10 JEEE C#CCN1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2C[C@@](C)(O)CCC(C)C)CC1 1300698700 YNPXNGBMJVCHGR-SANMLTNESA-N 477.613 2.134 30 10 JEEE C#CCSCCn1c(N2C[C@H](CC)[C@@H](N3CCOCC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1300776951 PKJSHVGYQDVDTG-AWRGLXIESA-N 477.675 2.232 30 10 JEEE C=C(Br)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H]2OCO[C@@H]2C1 1300849968 UFNUNLOLKVOFBC-KFWWJZLASA-N 486.367 2.057 30 10 JEEE C=CCN(CC=C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1301371790 SNAJLSZMFNVDQE-MOPGFXCFSA-N 485.614 2.308 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1301568064 CNRJSAHIEQZTHJ-RBUKOAKNSA-N 466.629 2.044 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1301578186 TWFAUZXQAQJECJ-OALUTQOASA-N 450.536 2.069 30 10 JEEE CCCN(CC)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1306806628 GXNKNTJHOQMFHH-UHFFFAOYSA-N 473.647 2.409 30 10 JEEE CC(C)(C)NC(=O)CN1CCC(CNC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)CC1 1312170847 CGTRMRFBTVBFJV-UHFFFAOYSA-N 458.582 2.156 30 10 JEEE CN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCC=CO1)C1CCN(S(C)(=O)=O)CC1 1314683255 HPFITNBRDJNNGP-HXUWFJFHSA-N 456.572 2.370 30 10 JEEE CN(C[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCOC2)C1)S(C)(=O)=O 1314803308 FSLQFOXOVAQOEK-PMACEKPBSA-N 472.615 2.351 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CCSc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1358956103 AFYUJVATLWSLCS-XXBNENTESA-N 490.651 2.349 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1CCN1CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1358967890 VDKMBWZHUCYKEJ-MOPGFXCFSA-N 475.590 2.107 30 10 JEEE C=C(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC(NS(C)(=O)=O)CC1 1359125822 UWGMTGIOYOYDLA-KRWDZBQOSA-N 468.624 2.444 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1CC1CCS(=O)(=O)CC1 1359275465 UYWHBGZXPIHCLP-FQEVSTJZSA-N 457.600 2.289 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc(-c2cnccn2)n1CCN1CCN(C(C)=O)CC1 1359275528 WNIUZOFKDYPACN-UHFFFAOYSA-N 460.586 2.134 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1359302105 WVCKWCYSJDJWBP-SFHVURJKSA-N 488.564 2.040 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](CC)C1 1359309826 FJODILFZESZTIS-NQIIRXRSSA-N 475.615 2.460 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Br)nnc1N1CCC[C@@H](C(=O)NC)C1 1359329293 DXGUZRVLZYBNMN-OAHLLOKOSA-N 496.431 2.271 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC[C@H](Oc2ncccc2F)C1 1359336662 XYWVVMOEZDXOQV-FUHWJXTLSA-N 465.551 2.312 30 10 JEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2C[C@@H](CCN3CCCC3=O)c3ccccc32)c1 1445326827 SGTKQIQNDIAGEU-LJQANCHMSA-N 451.548 2.355 30 10 JEEE CN(CCNC(=O)NCc1cn(C)nc1-c1ccc(C#N)cc1)S(=O)(=O)c1cccs1 1469459784 FSYTWSGUVMBTAG-UHFFFAOYSA-N 458.569 2.140 30 10 JEEE N#Cc1ccc(S(=O)(=O)NCC2CCN(C(=O)C(F)(F)F)CC2)cc1Br 1475049218 GAKBGZOSAPFBMR-UHFFFAOYSA-N 454.268 2.400 30 10 JEEE COC(=O)N1CCC(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCOC[C@H]2C)CC1 1503886622 AVKHVAXIIQBWIF-QGZVFWFLSA-N 454.531 2.432 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@@](C)(O)CCC)[C@H]1CCS(=O)(=O)C1 1507638085 DITLBMQBFSBNNH-AVRDEDQJSA-N 464.563 2.174 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(Br)cn2C)n1CC1(N2CCOCC2)CC1 1507661599 APQAOGKDXAFROV-UHFFFAOYSA-N 471.403 2.374 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2CC[C@H](N2CCOCC2)C(F)(F)F)CC1 1507723948 AHZRNEMPNJRTAR-NRFANRHFSA-N 494.537 2.416 30 10 JEEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@H](C(C)C)N2CCOCC2)CC1 1507728252 WILIUAAAAUMVJM-DEOSSOPVSA-N 466.630 2.278 30 10 JEEE C=C(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CC(=O)NCC)CC1 1507836706 XDCDPDOZHLUVBF-SFHVURJKSA-N 461.611 2.184 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1508095040 RTCHTKLSMDRXAY-GOSISDBHSA-N 469.615 2.221 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC(C)(C)N1CCOCC1 1538964083 HPYNXERQNGLJIN-KRWDZBQOSA-N 458.994 2.430 30 10 JEEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](CN2CCOCC2)C1 1539124244 CQWVERNBEPZRAM-SFTDATJTSA-N 488.633 2.158 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CCc1cc(F)cc(F)c1)[C@@H]1CCS(=O)(=O)C1 1539207113 ZJHCUKKCNHRHIL-OFNKIYASSA-N 494.564 2.078 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1CCSCC=C)[C@H]1CCS(=O)(=O)C1 1539212975 YWEVTGGIOLMQCY-KRWDZBQOSA-N 460.581 2.220 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCc2ccc(OC)cc2OC)CC1 1539482611 VQGULWYTKJYADT-OAQYLSRUSA-N 481.597 2.398 30 10 JEEE C#CCSCCn1c([C@H](C)CC)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1539491059 LIHRQHVJNIFXNI-QGZVFWFLSA-N 460.648 2.098 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1539640829 BMNOHWAMJWKQDT-NWSQWKLXSA-N 469.586 2.406 30 10 JEEE C=CCNC(=O)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCNC(=O)CC1 1540864180 RWFOKMDGKYLCOV-UHFFFAOYSA-N 451.556 2.006 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CC2(O)CCOCC2)C1 1540886285 ZGVRYSJQQYWWIT-SFHVURJKSA-N 474.558 2.294 30 10 JEEE CC(C)(C)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1C[C@H]1CCCN1S(C)(=O)=O 1541158586 FRXGDAFOQXVQAJ-GOSISDBHSA-N 489.621 2.337 30 10 JEEE CCCN1CC[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(NS(=O)(=O)CC)CC2)C1 1547170881 BMNSYDGCKHTOJC-HXUWFJFHSA-N 485.658 2.457 30 10 JEEE CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1cnc(C(C)C)nc1 1552378187 AZVZYZLUECZCEX-UHFFFAOYSA-N 468.587 2.306 30 10 JEEE CN(C)C(=O)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2ncccc2F)CC1 1552692351 CXJYMWQZQVLINZ-UHFFFAOYSA-N 492.559 2.458 30 10 JEEE CNC(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1554469554 BHHALBWDXQFULX-SFHVURJKSA-N 474.569 2.057 30 10 JEEE C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCN(C(=O)COc2ccc(Br)cc2)CC1 1564789947 BGEYGCVZXGVKTO-MSOLQXFVSA-N 452.349 2.415 30 10 JEEE Cc1nn(C)c(NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Br)c1C#N 1586990746 CHQNMCQUCWRZOP-UHFFFAOYSA-N 452.334 2.400 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCC(=O)Nc1cccc(Cl)c1C 1587561090 BASZUMQPXJODIV-DZGCQCFKSA-N 466.995 2.337 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2C[C@H]2NC(=O)CC2(C)C)c1 1587689369 HUEDWOCDYFLFOW-HXUWFJFHSA-N 459.554 2.255 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@](C)(O)c1ccsc1)[C@H]1CCS(=O)(=O)C1 1588049124 AOEVPHDGSOVYNK-AVRDEDQJSA-N 471.608 2.244 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1CCCOCC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1588059030 HWORGUCSQHWYIM-FQEVSTJZSA-N 466.648 2.327 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1588059544 QAXGUCWEYYZCLG-NRFANRHFSA-N 470.574 2.230 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1CCCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1588069050 GAHIHUJQKNRTMK-OAQYLSRUSA-N 482.610 2.387 30 10 JEEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1589135083 SQJOGERKQOCMJI-HXUWFJFHSA-N 460.648 2.067 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(=O)Nc2ccccn2)n1C[C@@]1(O)CCN(C)C1 1595070896 QLRJQORRFBUYOL-RUZDIDTESA-N 477.569 2.193 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1n[nH]c(C)n1 1595134358 YYCDMKILCWYYBU-KRWDZBQOSA-N 459.551 2.181 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1595476781 NLAGPCFSOCKPPF-FUHWJXTLSA-N 453.522 2.036 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1595496807 IABZWJULHDUOQX-QGZVFWFLSA-N 469.527 2.498 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2CC2(S(C)(=O)=O)CC2)C1 1595679851 CTNUBPCZHNXTHT-HNNXBMFYSA-N 484.420 2.405 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3ccccn3)n2CCNS(=O)(=O)c2ccccc2)C1 1595706104 HFDBKTUQHYNSAQ-SFHVURJKSA-N 454.556 2.100 30 10 JEEE C#CCOc1ccccc1CNS(=O)(=O)c1cc2c(cc1Br)NC(=O)CO2 1661583579 MLMAJBZBXMIIPQ-UHFFFAOYSA-N 451.298 2.271 30 10 JEEE C#C[C@@H](NC(=O)NCc1ccc(OC)c(S(N)(=O)=O)c1)c1ccc(Br)cc1 1683054900 NOMNUIGTEYBPOD-OAHLLOKOSA-N 452.330 2.279 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1CCC2(C1)OCCO2 1690093707 HNZKZUIUTOFWLT-IBGZPJMESA-N 487.988 2.491 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3ccc4ccccc43)n2CC[S@@](=O)CC)CC1 1690150396 GFMVZEQMLYOBMG-XIFFEERXSA-N 466.611 2.016 30 10 JEEE C=C(Br)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@@H](C(=O)OC)C1 1690228779 FRIUVUSCBBPVRG-MRXNPFEDSA-N 476.379 2.360 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(OC)cc2)nnc1N1CCN(C(=O)COC)CC1 1690253466 QVUOSJVARFZZEZ-YADARESESA-N 485.585 2.142 30 10 JEEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@](C)(c2ccccc2)C1 1690301589 WOUZWNGSUOGPQB-XMSQKQJNSA-N 463.604 2.233 30 10 JEEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2nccnc2C)CC1 1690322058 SYGJEGPTMAYKNR-PMACEKPBSA-N 457.579 2.020 30 10 JEEE C=C(Cn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1)c1ccccc1 1690324675 WRHCYFGKQRBHMU-OAQYLSRUSA-N 466.586 2.406 30 10 JEEE C=CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(C(=O)N(CC)CC)CC1 1690640973 XQGLFYJMNSCDLD-UHFFFAOYSA-N 464.574 2.445 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1690673131 OZFZNPCRJBDVOO-UHFFFAOYSA-N 476.972 2.418 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2(N(C)C)CCOCC2)C1 1690690474 ZNGBJGVBXYAPSG-FQEVSTJZSA-N 489.642 2.241 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C)c2nccs2)c1 1705507067 QRJXWSVRAXOGOY-SJLPKXTDSA-N 498.634 2.497 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1Cc1cc(C)nn1C 1705580664 NVQUFDXKWFXFRK-UHFFFAOYSA-N 454.538 2.228 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2Cc2ccccc2CN2CC[C@@H](O)C2)CC1 1705649629 CXCOBEMQFNLCIX-XMMPIXPASA-N 478.641 2.057 30 10 JEEE C=CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCS(=O)CC1 1705801950 WSBBMVJBQCNENK-UHFFFAOYSA-N 451.618 2.120 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC[C@H](n3nc(C)cc3C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1705909124 NXYLLWGMWDOCMK-GBXCKJPGSA-N 471.606 2.276 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC([C@H](O)c2ccc(F)cc2)CC1 1705909175 POBLZNBMCZASSO-PMOQBDJRSA-N 487.576 2.393 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCC(NC(=O)C(C)C)CC1 1705935470 SFEUTLUSLKVAAJ-UHFFFAOYSA-N 477.606 2.350 30 10 JEEE CC(C)(C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1706152397 HFUPREXTCFQWFG-NRFANRHFSA-N 465.602 2.423 30 10 JEEE C[C@H](CN1CCOCC1)Cn1c(-c2cccc(Br)c2)nnc1N1CCO[C@H](C#N)C1 1706821189 HPLICKHXQSTRCQ-VQIMIIECSA-N 475.391 2.405 30 10 JEEE CCCOc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@]2(O)CCO[C@H]2C)cc1OC 1709859596 HMULLGWWGPGRLS-XAEMIUIASA-N 457.531 2.011 30 10 JEEE COC(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2CCN(CCN(C)C)CC2)C1 1711445833 GTUKPIGYORKCOZ-QFIPXVFZSA-N 465.602 2.090 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCCc1c[nH]nc1C)[C@H]1CCS(=O)(=O)C1 1722364323 YTOCFNZJPCKJDI-SFHVURJKSA-N 473.990 2.285 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CC(C)(C)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 1722369090 VMRYLFXBIQSSRN-VQTJNVASSA-N 463.648 2.411 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1722504109 YIFTWVXUCYEPNU-LQWHRVPQSA-N 452.563 2.173 30 10 JEEE C=CCN(CCc1ccco1)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCCCS1(=O)=O 1722674255 ALZQZBUIOUYQSS-IBGZPJMESA-N 461.588 2.310 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H]2CCCS(=O)(=O)C2)C1 1722721646 KIKWKJXJOUVRPP-AEFFLSMTSA-N 451.618 2.240 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H]2CC[C@H]1C2 1722727172 GLCDIKBQOFFWBJ-OKZBNKHCSA-N 481.619 2.176 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCN(CC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1740618431 HMJIDMVXBVIZNN-HXUWFJFHSA-N 474.587 2.210 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1CCN(CC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1740619096 FYWABONZZFIUCN-LJQANCHMSA-N 473.599 2.031 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CC1(OC)CCCC1)[C@@H]1CCS(=O)(=O)C1 1740619110 FZRHMYJGSLGROC-HXUWFJFHSA-N 453.568 2.403 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCCc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1740629758 YQCMGQCDATUDJO-BVSLBCMMSA-N 490.601 2.401 30 10 JEEE C#CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1740720482 ADBZJKWCOVMESQ-INIZCTEOSA-N 491.543 2.388 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1740778394 AZKUARSUOBKXHO-QGZVFWFLSA-N 481.644 2.033 30 10 JEEE C=C(C)COCCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1740788087 PFKFUOJDMIJZOZ-HXUWFJFHSA-N 463.380 2.355 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1740843314 DWJWBZIMCUVZFB-UXHICEINSA-N 481.711 2.095 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cc2ccccn2)n1CC(=O)N1CCOCC1 1740914781 ZDDPHMIHGLDUJA-UHFFFAOYSA-N 462.554 2.324 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCO[C@H]1C(C)(C)C 1740941995 YEXVHNBQTTXWEC-HSALFYBXSA-N 499.678 2.091 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC(=O)N(CCOC)C2)C1 1740975961 RPDMJXJLSUUCGO-TZIWHRDSSA-N 450.543 2.093 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CCN(C2CCOCC2)CC1 1740993723 HFGJWYHQUDXBBU-UHFFFAOYSA-N 489.642 2.067 30 10 JEEE C[C@H](C#N)CN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1cccc(C(N)=O)c1 1741130639 AZYYKJISAZYULU-QGZVFWFLSA-N 459.558 2.195 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1CC1(N(C)C)CCCC1)[C@H]1CCS(=O)(=O)C1 1748819640 QXNNBOCGLPDIBA-IBGZPJMESA-N 461.657 2.432 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H](C)CN2CCCC2)CC1 1748979807 NWNDJHSSFASZTC-HXUWFJFHSA-N 452.603 2.449 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2CC2(S(C)(=O)=O)CCCC2)CC1 1748993509 ZZAOJBPDYVBYSI-UHFFFAOYSA-N 455.628 2.290 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Cl)c3)n2CC[C@H]2COCCO2)CC1 1749003322 FVWVHOVCJXOWMN-FQEVSTJZSA-N 457.962 2.370 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(F)(F)C1(OC)CCOCC1 1749065678 ABGCBTYMSFHWDB-QFBILLFUSA-N 472.558 2.003 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCS(=O)(=O)CC1 1749121899 QIRZPDNUMHHECJ-OXQOHEQNSA-N 492.598 2.187 30 10 JEEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(Cc2ccccc2)C[C@H]1C 1749677721 IRWCSPWCVZBOGF-LJQANCHMSA-N 493.637 2.283 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1CCNS(=O)(=O)CC 1760103988 PPEGQVZFPCTXOU-CQSZACIVSA-N 454.394 2.413 30 10 JEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2c(F)cccc2F)CC1 1760137595 KXMBANKIPDYQOS-KRWDZBQOSA-N 491.564 2.224 30 10 JEEE C#CCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1760154686 XYAYULXTSPDHDB-UHFFFAOYSA-N 468.989 2.207 30 10 JEEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCN(CCC)C(=O)OC(C)(C)C)CC1 1760260317 OIJOPCBPAPGGLD-UHFFFAOYSA-N 456.595 2.081 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Br)cc3)n2CC(=O)NCCC)CC1 1760266856 PFPBAIJRJUEPLP-UHFFFAOYSA-N 487.402 2.200 30 10 JEEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@](C)(C(=O)NC)C1 1760275082 ZIXRFQJZASDLFN-SFHVURJKSA-N 451.394 2.365 30 10 JEEE C=C(C)Cn1c(COc2ccc(OC)cc2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1760347874 DBPRJMRGTBUCFL-SFHVURJKSA-N 461.588 2.446 30 10 JEEE C=CCOc1ccc(Cn2c(CC)nnc2N2CCN(S(=O)(=O)Cc3ccon3)CC2)cc1 1760531286 JRLJVPOUCUJRRA-UHFFFAOYSA-N 472.571 2.094 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(OC2CCC(C)CC2)CC1 1760553820 JAEVYJHLXYLGJT-QLOJAFMTSA-N 479.647 2.394 30 10 JEEE CC(=O)N[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ncccc2N(C)C)C1 1760643889 GMRLCBKTSAICHU-HXUWFJFHSA-N 474.569 2.343 30 10 JEEE CCC[C@@H](C)C(=O)NCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccccc2C#N)CC1 1763756571 GROVMSVQVNYNQN-HXUWFJFHSA-N 492.628 2.265 30 10 JEEE CN(C[C@@H]1CCCCO1)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1767219082 CAOSYDVMFNCFLF-UXHICEINSA-N 458.588 2.246 30 10 JEEE CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1768258440 DFTLIBJBRSCXTH-HXUWFJFHSA-N 483.598 2.411 30 10 JEEE C=CCNC(=O)[C@@H](Cc1ccc(OC(C)=O)cc1)NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 1861807309 PTBUKBIHQGLXJQ-GOSISDBHSA-N 470.438 2.380 30 10 JEEE C=CCN(CC=C)C(=O)[C@H](Cc1ccc(OC(C)=O)cc1)NC(=O)[C@@H]1CC(=O)N(C(C)C)C1 1862187806 WVNZXVHGXBWTIC-IRLDBZIGSA-N 455.555 2.097 30 10 JEEE Nc1cccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccccc2[N+](=O)[O-])c1 1862556936 BNIOARCFVBRSEQ-NRFANRHFSA-N 466.494 2.478 30 10 JEEE C=CCN(CC=C)C(=O)C1=C(N)Oc2c(c(C)nn2C)[C@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1865587545 VDNALDZUUIYQCV-LJQANCHMSA-N 467.482 2.303 30 10 JEEE CN(C)[C@@H](CNC(=O)[C@H](Cc1ccccc1)N=C1NS(=O)(=O)c2ccccc21)c1ccc(O)cc1 1869931758 HCQYUPZXQIDNPO-GOTSBHOMSA-N 492.601 2.461 30 10 JEEE C#CCOc1cn(Cc2ccc(S(N)(=O)=O)cc2)c(CNc2cccc([N+](=O)[O-])c2C)cc1=O 1871008518 ZHCWABJZESSYKA-UHFFFAOYSA-N 482.518 2.385 30 10 JEEE C=CCn1c(C(=O)Nc2ccc(C(=O)NCCN(CC)CC)cc2)cc2c(N3CC(O)C3)ncnc21 1873656155 PDFGTRYTOZYRNU-UHFFFAOYSA-N 491.596 2.122 30 10 JEEE C=CCn1c(C(=O)N2CCN(c3ncccn3)CC2)cc2c(NCc3cccnc3)ncnc21 1875228270 IFEDOVBZCKQJIW-UHFFFAOYSA-N 455.526 2.377 30 10 JEEE CN(C(=O)c1ccc(CNS(=O)(=O)c2cccc(Cl)c2)cc1)C1CN(c2nccnc2C#N)C1 1891841214 NOXJJMKMFWBNGT-UHFFFAOYSA-N 496.980 2.441 30 10 JEEE CC(C)(C)OC(=O)N1CCn2ncc(C(=O)N3CCN(Cc4ccccc4)[C@H](C#N)C3)c2C1 1964764664 YICXUKOJUCUGSU-LJQANCHMSA-N 450.543 2.484 30 10 JEEE CC(C)(C)OC(=O)NC[C@H](CO)NC(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2255640108 JIAAZSDBVYSPIT-CYBMUJFWSA-N 454.760 2.255 30 10 JEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1ccsc1B1OC(C)(C)C(C)(C)O1 2255802180 VPVMRKIAEWXJEK-LSDHHAIUSA-N 452.382 2.411 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2C[C@H](NC(=O)OC(C)(C)C)CC[C@H]2C(=O)O)C1 2266509925 KGIOVIJDBYNEJA-ANWJBKEVSA-N 465.547 2.262 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CC(F)(F)C1 2267141730 YQFJYEXAEPOMQT-GFCCVEGCSA-N 456.299 2.083 30 10 JEEE CN(CC[S@@](C)(=O)=NC(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)OC(C)(C)C 2267263971 LWGVZWOMXSWDCK-JGCGQSQUSA-N 467.397 2.486 30 10 JEEE Cc1cc(S(=O)(=O)N[C@H]2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)sc1B1OC(C)(C)C(C)(C)O1 2267361365 AOYXSASJWSSYCA-FOLVSLTJSA-N 484.449 2.499 30 10 JEEE CC(C)(C)OC(=O)NC1CN(S(=O)(=O)c2c(F)cc(F)cc2B2OC(C)(C)C(C)(C)O2)C1 2267471329 RUOJELKOZXGTKK-UHFFFAOYSA-N 474.335 2.162 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)CCO1 2267494086 BRZAPBYDBSGPAR-CQSZACIVSA-N 451.304 2.191 30 10 JEEE CC(C)(C)OC(=O)N1CC2(CCN2S(=O)(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2267715278 VMSICCANUDKMIU-UHFFFAOYSA-N 464.393 2.370 30 10 JEEE Cn1cc(C(=O)NCc2sccc2B2OC(C)(C)C(C)(C)O2)c(=NC(=O)OC(C)(C)C)[nH]1 2268652448 UKSWDFBVOLMUKE-UHFFFAOYSA-N 462.381 2.480 30 10 JEEE CC(C)(C)OC(=O)NC(C)(C)[C@H](O)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2268686752 GOJRSFQUWDLJST-CQSZACIVSA-N 453.320 2.123 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H](CO)C(=O)N1CCc2sc(B3OC(C)(C)C(C)(C)O3)cc2C1 2268718772 ZVGTYKKWLKRUEF-HNNXBMFYSA-N 466.409 2.065 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)n1 2281995130 YRXGVPFSZTUJOQ-PHZGNYQRSA-N 460.384 2.045 30 10 JEEE Cc1c(B2OC(C)(C)C(C)(C)O2)cccc1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1O 2282112211 YUDAEXLJZGINBO-RTBURBONSA-N 460.380 2.394 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H]3CN(Cc4ccccc4)C[C@]3(C)C2)n1 2282543803 LUHBQWUQEAYGHY-KBMIEXCESA-N 450.392 2.313 30 10 JEEE C[C@@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2CN1C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2282568369 BGHGAJWEXVGPDC-INMHGKMJSA-N 460.384 2.047 30 10 JEEE CC(C)(C)OC(=O)NC[C@@]12CC[C@H]1CN(C(=O)c1ncc(B3OC(C)(C)C(C)(C)O3)cn1)C2 2282613780 DHBVPUUCVIWCFK-NPMXOYFQSA-N 458.368 2.153 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@]2(NC(=O)c3ncc(B4OC(C)(C)C(C)(C)O4)cn3)C[C@H]2C1 2282629430 VSFIZEYJTUWSIZ-WNSKOXEYSA-N 458.368 2.295 30 10 JEEE Cc1cnc(C(=O)NC[C@@]2(NC(=O)OC(C)(C)C)CCOC2)c(B2OC(C)(C)C(C)(C)O2)c1 2282644573 MEVHLWMVMMZFPI-QHCPKHFHSA-N 461.368 2.103 30 10 JEEE C[C@@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)N1CCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C1 2283977709 SSHUKWNGVDHDDB-BEFAXECRSA-N 460.380 2.145 30 10 JEEE Cc1cccc(OC[C@H](O)Cn2c(NN=Cc3ccc(Cl)cc3)nc3c2c(=O)n(C)c(=O)n3C)c1 2327753915 GQWLNCFINKHOMC-GOSISDBHSA-N 496.955 2.281 30 10 JEEE CC(C)N1C[C@@H](c2nnc(SCC(N)=O)n2N=Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1=O 2329013380 GEPCPAUBXRXTQV-LBPRGKRZSA-N 465.923 2.024 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@H]2CNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2359281776 BIHMOJBTQMAXEO-DZKIICNBSA-N 499.464 2.117 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2C[C@H]1C[C@H]2NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2359318853 BFVLIUKQFZEVAL-JONQDZQNSA-N 458.368 2.197 30 10 JEEE Cc1c(C(=O)N(C)[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2F)c(B2OC(C)(C)C(C)(C)O2)nn1C 2369669789 MUHGQQPSAOGJKB-CABCVRRESA-N 466.363 2.057 30 10 JEEE Cc1ccnc(C(=O)N=c2[nH][nH]cc2CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2380499134 LLAZXWXEGFRQND-UHFFFAOYSA-N 457.340 2.111 30 10 JEEE C=CCn1c(=O)c2sc(N3CCCCC3)nc2n(CC(=O)Nc2ccccc2C(=O)OC)c1=O 21655629 VVKIGNZDHFQONZ-UHFFFAOYSA-N 483.550 2.221 30 10 JEEE CC(=O)OC[C@]12C(=O)[C@H](O)[C@H](C)[C@]3(C[C@H](c4ccoc4)O[C@@H]3OC(C)=O)[C@H]1CCC[C@@]21CO1 256069410 MVZLPYVWRQUGCU-OTQMHLKASA-N 462.495 2.315 30 10 JEEE biogenic C=CCOC(=O)c1sc(NC(=O)C[S@@](=O)CC(=O)N2CCc3ccccc3C2)nc1C 526889752 RLBZWUVRZMOSHI-WJOKGBTCSA-N 461.565 2.066 30 10 JEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)C[C@@H](NC(C)=O)c2ccc(OC)cc2)c1 749505373 QIAFOZHOGQFGKL-XMMPIXPASA-N 463.534 2.136 30 10 JEEE CCNS(=O)(=O)c1ccc(NC(=O)CSc2n[nH]c(NN=Cc3ccccc3F)n2)cc1 1083960906 BMABDZSOAGJKMA-UHFFFAOYSA-N 477.547 2.419 30 10 JEEE COc1cccc(CNC(=O)CSc2n[nH]c(NN=Cc3cnn(C(C)C)c3)n2)c1OC 1084601323 LVBIOYVRWAHKTG-UHFFFAOYSA-N 458.548 2.454 30 10 JEEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)Nc1ccc(=O)n(Cc2cccc(F)c2)c1 1158552071 HRRSSYRXYFPIHW-UHFFFAOYSA-N 454.483 2.103 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCS(=O)(=O)C(C)(C)C 1286279201 KFERAPBWMCYAFE-HNNXBMFYSA-N 452.602 2.020 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OCC)CCOC3)n2C[C@@H]2CCN(CC)C2)c1 1286310392 YBKVSZWDHAAOSJ-RLWLMLJZSA-N 480.613 2.328 30 10 JEEE C#CCN(c1nnc(CC)n1C[C@H](C)c1nc(-c2ccccc2)no1)[C@H]1CCS(=O)(=O)C1 1286393315 JYEUIJOQTGNALI-WMZOPIPTSA-N 454.556 2.321 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC2(OCC)CCCC2)CC1 1286487660 HFWLNOQICTWUPW-VWLOTQADSA-N 473.618 2.245 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CC(F)(F)Br)CC1 1286490034 JUNUNDFXHQHMOM-UHFFFAOYSA-N 453.291 2.294 30 10 JEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 1286495004 RCGSLSALEZFCGH-QGZVFWFLSA-N 462.620 2.232 30 10 JEEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CCC(NC(=O)COC)CC1 1286506460 VCENEGZTWBHLGQ-UHFFFAOYSA-N 463.554 2.245 30 10 JEEE C#CCSCCn1c(Cc2ccsc2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1286507637 KVUYNZPSQGHVSH-UHFFFAOYSA-N 467.624 2.117 30 10 JEEE C=C(C)COCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1286600786 QNBRABKMWLIEEC-QUCCMNQESA-N 487.004 2.417 30 10 JEEE C=C(C)COCCn1c(C2CCC2)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1286611251 HAOJJINTHIWBHJ-QRVBRYPASA-N 495.646 2.265 30 10 JEEE C=CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1286719221 KSFLRDPIFNWSDR-GOSISDBHSA-N 455.378 2.188 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc(CN2CCCC2=O)n1CC(=O)NCC(F)(F)F 1286745038 PNGPXZHJNRIVRP-UHFFFAOYSA-N 468.455 2.411 30 10 JEEE C=CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@@]1(O)CCS(=O)(=O)C1 1286766074 MHFALTDKEPTPRJ-ZHRRBRCNSA-N 480.656 2.320 30 10 JEEE C=CCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1286773619 UZBPLZMWUQACOM-UHFFFAOYSA-N 492.628 2.412 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1286778419 AJGMCLYSNRXGEZ-KOSHJBKYSA-N 452.559 2.196 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(=O)C(C)C)CC1 1286817926 QOSMPEYWNBLGBI-GOSISDBHSA-N 493.605 2.463 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCN(C)C(=O)C1 1286818465 XCSUTTNTWBNXNE-UHFFFAOYSA-N 486.623 2.256 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCC(OC(C)C)CC1 1286819700 SSVAPQIODXTGOO-UHFFFAOYSA-N 465.576 2.000 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](c2ccc(F)cc2)C1 1286820629 OLNLPCPVEPPWDS-UYAOXDASSA-N 464.563 2.490 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)ccc2C)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1286824476 YSZSWRJZGGIXTP-IRLDBZIGSA-N 490.626 2.459 30 10 JEEE C[C@H]1C[C@@H](C)CN(CCCn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@@H](C#N)C2)C1 1291011044 DVPWOUPYDLIYBR-OTWHNJEPSA-N 452.563 2.022 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCC1CCN(CC)CC1)[C@@H]1CCS(=O)(=O)C1 1300496913 WJEUBERQTXCGQB-RTWAWAEBSA-N 463.648 2.268 30 10 JEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1Cc1ncccc1C)[C@H]1CCS(=O)(=O)C1 1300502054 QAWRTGINNBGPDF-NRFANRHFSA-N 479.606 2.450 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cscc1C)[C@@H]1CCS(=O)(=O)C1 1300505921 KIYUWYWAWVMNLX-UHOSZYNNSA-N 464.613 2.047 30 10 JEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(CN2CCCCCC2)CC1 1300734256 UOQJTTDYFDXBQK-LJQANCHMSA-N 482.720 2.347 30 10 JEEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1300754090 HZLXEOCFEOPFAL-OYRHEFFESA-N 481.670 2.333 30 10 JEEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1ccc(C)o1 1300761227 AMZHTRJGJJAZEF-HKUYNNGSSA-N 479.628 2.220 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC(=O)NCC(F)F 1300814015 YQRAULLXFDUMER-RUZDIDTESA-N 485.583 2.016 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 1300843448 BMGIOIZBZXHHPO-HNNXBMFYSA-N 468.377 2.178 30 10 JEEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 1301222633 BPNCVPLWLBQLLO-LEWJYISDSA-N 459.616 2.002 30 10 JEEE COC[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCC(O)CC2)C1 1301340002 DMQUGQOYPZXHQQ-HXUWFJFHSA-N 454.575 2.048 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC(NC(=O)c2ccsc2)CC1 1301498331 MXUBDBMOQKMGJI-SFHVURJKSA-N 458.588 2.282 30 10 JEEE CC(C)(C)OC(=O)N1CC(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCNC(=O)CC2)C1 1302219197 HAJONCXBMXCUSA-UHFFFAOYSA-N 451.531 2.010 30 10 JEEE N#C[C@H]1CN(c2nnc(-c3cccc(Br)c3)n2C[C@@H]2CCCS(=O)(=O)C2)CCO1 1303001642 FYMWMWBSIXJTNT-YOEHRIQHSA-N 480.388 2.261 30 10 JEEE Cc1ccsc1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(C#N)C1 1304071090 HCMFEHRFGLYNFD-LAUBAEHRSA-N 478.644 2.354 30 10 JEEE Cc1ccc(NC(=O)c2nnc(N3CC[C@](F)(C#N)C3)n2CCN2CCOC[C@@H]2C)cc1C 1304378596 DIHQFRNNOPFTST-MBSDFSHPSA-N 455.538 2.310 30 10 JEEE Cc1ccc2c(n1)c(=O)c(C#N)cn2CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 1307322323 IDQWPHMEIBJVEY-UHFFFAOYSA-N 459.915 2.119 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCO[C@H]2C(C)C)c1 1358902190 GYVQMNHSMMPCMS-RFWXGWTQSA-N 464.570 2.347 30 10 JEEE C#CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1cccc(S(=O)(=O)NC)c1 1358954385 GLWYHTKZIJPYRI-IBGZPJMESA-N 488.614 2.376 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCc1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1358959068 AZTGBLSMTPYGEW-FQEVSTJZSA-N 464.551 2.291 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1noc2c1CCCC2 1358972083 SUIOLYWNJRAXDA-UHFFFAOYSA-N 478.578 2.183 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1Cc1cnn(C)c1 1358991519 DOQZZTOWMCFNIT-UHFFFAOYSA-N 454.538 2.481 30 10 JEEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1359056207 AMMCCXPNPMBLMB-FCEUIQTBSA-N 474.675 2.265 30 10 JEEE C=C(Br)Cn1c(N2CCn3nc(C)nc3C2)nnc1[C@@]1(OC(C)C)CCOC1 1359088813 UUENBRZGIQMQNC-GOSISDBHSA-N 452.357 2.147 30 10 JEEE C=C(C)COCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1359136345 GUPDFJSKUXRYNT-QHCPKHFHSA-N 471.583 2.336 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C)C1CC1 1359251844 XBVXEYWHJVAVQM-AEFFLSMTSA-N 498.650 2.021 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c(-c2cnccn2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1)C(C)C 1359266256 XGNARDJJMXRMMT-HLAWJBBLSA-N 450.591 2.149 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCCN(CC)C(=O)C1 1359294394 SBRUKJLJIATCAR-INIZCTEOSA-N 456.616 2.492 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1cc(OC)ccc1Br 1359298430 ZDYXEJBCEATEGH-UHFFFAOYSA-N 474.363 2.388 30 10 JEEE CC(=O)N1CCN([C@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCN(C)C(C)C)C[C@H]2C)CC1 1359399178 LLTHAYHKHSQFIZ-YKSBVNFPSA-N 478.645 2.146 30 10 JEEE CC(C)NC(=O)Nc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@](F)(C#N)C2)cc1 1360303855 AKMSPCRCNYRJCR-VGSWGCGISA-N 454.510 2.249 30 10 JEEE COc1cc(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc(Cl)c1OCC(N)=O 1458879874 IFFCYOQKYNJHKB-QGZVFWFLSA-N 456.886 2.010 30 10 JEEE CNC(=O)CCN(C)c1nnc(COc2ccc(C#N)cc2)n1CCN1CCc2sccc2C1 1503806353 DWINTBLOKUDCFE-UHFFFAOYSA-N 479.610 2.421 30 10 JEEE COC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCN(C(C)C)CC2)CC1 1503860612 GLIAXDMKLUWQNY-UHFFFAOYSA-N 466.586 2.441 30 10 JEEE COc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)c(C(F)(F)F)c1 1504269648 GITXJCNJKXDVSO-GOEBONIOSA-N 450.421 2.034 30 10 JEEE C#CCCCCn1c(-c2ccccc2OC)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1507558687 KKRCZBJVNYSZOR-UHFFFAOYSA-N 452.559 2.331 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1CCN(C(C)=O)CC1 1507692446 YJHCIAYNRJOUAI-FQEVSTJZSA-N 474.606 2.305 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc4ccccc4o3)n2CC[S@@](=O)CC)CC1 1507734436 NBUUHFFHZXJIDK-YTTGMZPUSA-N 453.568 2.426 30 10 JEEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1507751063 CYDCZSCJZGCFAO-SFHVURJKSA-N 455.632 2.052 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1508072003 ALVIAHCTAUAJDG-MRXNPFEDSA-N 459.982 2.284 30 10 JEEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C[C@H]2CCOC2)C1 1517624098 ARPVEGQXWYLUIB-RTBURBONSA-N 458.588 2.009 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Cl)n1CCS(=O)(=O)CC1CC1)[C@H]1CCS(=O)(=O)C1 1539210504 FARRMROSLAWEBO-KRWDZBQOSA-N 497.042 2.050 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1Cc1cc(F)cc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1539225130 MDQYZQSVGFXHAF-LJQANCHMSA-N 489.598 2.457 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cn(C)nc1-c1ccccc1 1539233050 ZJJGFIGZQVQGIF-UHFFFAOYSA-N 450.506 2.447 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc[nH]2)n1C[C@H]1CCCN1S(C)(=O)=O 1539390076 HVZLLJVZBNIILE-LJQANCHMSA-N 456.547 2.476 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H](c2ccccc2)N(C)C)CC1 1539430802 OFWWOLFAWPSNEK-OZXSUGGESA-N 466.630 2.377 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2CCNC(=O)c2ccc(C)c(F)c2)CC1 1539445892 JTGXWARMTHUBFI-UHFFFAOYSA-N 461.545 2.281 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(C)nc4ccccc34)n2CCOCCOC)CC1 1539469000 LUDXQLDBIJRLTQ-UHFFFAOYSA-N 476.581 2.431 30 10 JEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)O[C@H](c2ccsc2)C1 1539496513 GYEKPTXDUHQLOP-VYDXJSESSA-N 469.658 2.283 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CCOc2ccccc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1539642082 HQYHTBHHBQEXNY-HSJYVMOXSA-N 470.570 2.241 30 10 JEEE C=C(C)Cn1c(N2C[C@@H]3[C@H](C2)[C@@H](NC(=O)OC(C)(C)C)CS3(=O)=O)nnc1C(C)(C)C 1539733653 JBBMWYLDBZQPGI-OWCLPIDISA-N 453.609 2.278 30 10 JEEE C=CCCOCCn1c(-c2noc3c2COCC3)nnc1N1CCC(CC(=O)N(C)C)CC1 1540033447 IUNJPDBEDUEIIN-UHFFFAOYSA-N 458.563 2.293 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1540863605 ZHTKGLFUWXVKEC-KSFYIVLOSA-N 494.017 2.389 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC(S(=O)(=O)c2ccccc2)CC1 1540867677 DIKLKTLDPLZGLJ-UHFFFAOYSA-N 466.567 2.085 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CC(C)(C)C 1540898280 FKBOTOJTNREYCC-UHFFFAOYSA-N 454.618 2.432 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@]1(N(C)C)CCSC1 1541799543 HKYIFDGWUYQMFO-HTAPYJJXSA-N 491.687 2.371 30 10 JEEE C[C@H](CN1CCCC1)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(C#N)cc1 1541872684 BFVVFYFQCALCDI-NQIIRXRSSA-N 456.616 2.420 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1nccn1C(F)F)[C@@H]1CCS(=O)(=O)C1 1588034441 GBYWDYRYGVMJHI-MRXNPFEDSA-N 491.480 2.120 30 10 JEEE C#CCN(c1nnc(C2CCCC2)n1CCNC(=O)c1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1588053653 GSWFSYQQPOJQCB-NRFANRHFSA-N 469.611 2.301 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1CC1(N(C)C)CCC1)[C@H]1CCS(=O)(=O)C1 1588069509 PMCAEBURGAPERJ-NRFANRHFSA-N 455.628 2.174 30 10 JEEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1CCO[C@H](C)C1 1588646342 IXYFTFAFJCMZFQ-UXHICEINSA-N 453.591 2.353 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCCN2CCCO[C@@H](C)C2)CC1 1588780746 WFXHCGGFJAIGJE-NRFANRHFSA-N 482.629 2.218 30 10 JEEE C#CCN1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCOCC(F)F)CC1 1588812727 UABNBQQNUIUJMS-UHFFFAOYSA-N 482.576 2.430 30 10 JEEE C=C(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1593621237 PNOUNDFMIDMTOK-KRWDZBQOSA-N 495.584 2.498 30 10 JEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](C(CC)CC)N2CCOCC2)CC1 1594014211 QGTXUURZHMUYHQ-QUCCMNQESA-N 468.668 2.182 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCOc2ccc(C)cc2)CC1 1594241474 RKHZXQYOYYDLEL-NRFANRHFSA-N 475.615 2.401 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N(C)CCc1cnccn1 1595506521 CCZRZOITKINTAL-UHFFFAOYSA-N 486.374 2.487 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCCN(c2ccccc2C#N)CC1 1595812299 QQSTWIHSOBKQLS-UHFFFAOYSA-N 454.600 2.420 30 10 JEEE Cn1cc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cn1 1618399401 BKJRAENLFSBOOL-FUHWJXTLSA-N 456.551 2.054 30 10 JEEE 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 1626456789 WKYXUMVDUQNTDS-XWSJACJDSA-N 456.605 2.383 30 10 JEEE Cn1cc([C@@H]2CN([C@@H]3CCN(c4sccc4C#N)C3=O)C[C@H]2NC(=O)OC(C)(C)C)cn1 1654813967 CLKZCTFECZBSKC-RCCFBDPRSA-N 456.572 2.451 30 10 JEEE C#CCn1ccc(CN(CCOC)C(=O)NCc2cc(Cl)cc(S(=O)(=O)CC)c2)n1 1686808187 VIEBNZHJPUNQGN-UHFFFAOYSA-N 452.964 2.322 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ccccc1OC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1689987992 HHNLQMDBMSBCAW-MRXNPFEDSA-N 492.483 2.309 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CCC1CCN(CC)CC1)[C@H]1CCS(=O)(=O)C1 1689993986 OSKIUKBIYAVHOS-QFIPXVFZSA-N 470.643 2.013 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1Cc1ccc(-n2cncn2)nc1 1690092377 GGEDQQMMHNOBRT-UHFFFAOYSA-N 485.552 2.257 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCCN(C)c2ccccc2F)CC1 1690135186 QSQQEZUOTZPYIG-UHFFFAOYSA-N 495.603 2.146 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2CC2(N(C)C)CCC2)CC1 1690140466 ZTOMMDMNHBXJOO-UHFFFAOYSA-N 450.587 2.404 30 10 JEEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1690234777 NIOHJURWLRVBMH-HWMZRRJGSA-N 454.369 2.158 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@](O)(c2cccc(F)c2)C1 1690236373 LZLHUWWGRDRAFD-XLJIZYSNSA-N 493.605 2.107 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(O)(c2ccccc2Cl)CC1 1690288061 FWZWXGXPQIWRAU-LJQANCHMSA-N 496.033 2.329 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1690313475 VKTMVCNWMCQKPI-HXUWFJFHSA-N 479.647 2.002 30 10 JEEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCS(=O)(=O)CC 1690346441 TZSWRDRRRIRYTI-HNNXBMFYSA-N 478.015 2.210 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1690662792 DOBZPIBFZHOJTH-UONOGXRCSA-N 484.420 2.268 30 10 JEEE CCNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(C)CCOCC2)CC1 1695943622 FMBLOOKMRCDBSG-UHFFFAOYSA-N 467.574 2.397 30 10 JEEE CCOC(=O)N(C)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCO[C@H]2C)CC1 1695948904 HVQANBMGFYJGFR-BXKMTCNYSA-N 468.558 2.414 30 10 JEEE CN(C)C(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](N2CCCCC2)C1 1696586362 BHUCYHAXIDEDGM-FQEVSTJZSA-N 451.575 2.272 30 10 JEEE CSC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(c3ccccc3C#N)CC2)CCC1 1698358366 CGXNJZWKIQUHHL-QGZVFWFLSA-N 489.671 2.372 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC(=O)NCC(F)(F)F 1705481783 MRXIEQPYTAPGPB-GFCCVEGCSA-N 455.437 2.107 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CCCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1705571472 ZLSLMYJOOPLELD-GOSISDBHSA-N 488.564 2.369 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1cccn(CC)c1=O 1705590877 YSPVMAJQFCGQQV-UHFFFAOYSA-N 491.621 2.239 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCN(c2ccccc2F)C1 1705598130 BSGKXMTYDWGKDF-VQTJNVASSA-N 469.586 2.309 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](C)Oc2ccc(C)cc2)CC1 1705649253 QMWDFBVEHHIJQT-LJQANCHMSA-N 461.570 2.420 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C2CCCC2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1705699542 IKVOLLYMYPAPMI-VQTJNVASSA-N 458.607 2.090 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1705707956 VDXPJVAWGZNMRH-KCZVDYSFSA-N 460.623 2.101 30 10 JEEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(S(C)(=O)=O)CCCC1 1705836651 ANTCDULFSUDWKO-UHFFFAOYSA-N 452.602 2.328 30 10 JEEE CCNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C(C)C)N2CCOCC2)CC1 1710337446 BQIDTYSDIIDGME-QFIPXVFZSA-N 480.617 2.025 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCO[C@H](C)C1 1722417512 KDWHPQGPNMLOKO-ZIFCJYIRSA-N 463.579 2.482 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)CCC(=O)NC 1722496727 ZMRRLNIOLVDJTL-IEBWSBKVSA-N 489.646 2.100 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCS(=O)(=O)c1ccccc1 1722516825 DMTYMANHUYNNGB-KRWDZBQOSA-N 452.602 2.057 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2ccc(F)cc2F)C1 1722523265 LEAZZBONYRGYBF-RTBURBONSA-N 483.541 2.043 30 10 JEEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(NS(=O)(=O)CC)CC1 1722524125 OWGYSACPZHJNIU-SFHVURJKSA-N 498.650 2.071 30 10 JEEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CCN2[C@H](C)CC[C@H]2C)CC1 1722737052 RFGAKLSWKNCPAV-NHCUHLMSSA-N 475.707 2.428 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1c(C)nn(-c2ccccc2)c1C 1740532465 GIUYHIVDMRBYKR-NVXWUHKLSA-N 455.588 2.197 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2C[C@H]2CCCN2CCCO)c1 1740565010 GKDUKTSAQWHHNC-FGZHOGPDSA-N 466.586 2.033 30 10 JEEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H](N1CCOCC1)C(F)(F)F 1740601447 BZGMMJADKNOEQI-OAHLLOKOSA-N 475.313 2.379 30 10 JEEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCc1cccc(C(=O)N(C)C)c1 1740609971 QYTANPTYBGGGST-UHFFFAOYSA-N 472.597 2.466 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ncc(CC)s1)[C@H]1CCS(=O)(=O)C1 1740616855 IBBUFXCLRKNQNB-JTSKRJEESA-N 493.655 2.013 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@](C)(O)c1cccs1)[C@@H]1CCS(=O)(=O)C1 1740619936 RQLKROOMQKQTOM-IERDGZPVSA-N 460.581 2.442 30 10 JEEE C#CCN(c1nnc(CC2CCCC2)n1CCCN1CCCO[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1740625946 UGGSYMHQRVDXKY-IRLDBZIGSA-N 477.675 2.138 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCc1ccccc1OCC)[C@@H]1CCS(=O)(=O)C1 1740628790 ULXNKMIOMTWVKH-TZIWHRDSSA-N 458.584 2.398 30 10 JEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCO[C@@H]1C(C)C 1740637265 WDMZOOVBPRKWJB-UYAOXDASSA-N 454.600 2.372 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@H]1CCOC[C@@H]1OC 1740639108 QWMREMJQMWIZBV-UGKGYDQZSA-N 474.565 2.189 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCOCC(F)F 1740653686 UNGKKIBNRSNVPH-UHFFFAOYSA-N 454.481 2.420 30 10 JEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)CCc2ccccc2)CC1 1740715989 IVWSZHDECWLVSZ-NRFANRHFSA-N 480.638 2.267 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1Cc1ccc(N2CCOCC2)c(F)c1 1740723865 VEAVNWIENBFQIZ-XMMPIXPASA-N 454.550 2.432 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CCOC)[C@H](C)C1 1740750451 CBJNQLGCNANZRA-SBHAEUEKSA-N 469.590 2.064 30 10 JEEE C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CCN2[C@@H](C)CC[C@H]2C)CC1 1740777617 RAKGJPYSXXJAOR-BGYRXZFFSA-N 452.607 2.496 30 10 JEEE C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1740800696 HOQCCKVKMCCZNQ-KRWDZBQOSA-N 456.938 2.397 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCO[C@@H]1C(C)(C)C 1740941994 YEXVHNBQTTXWEC-AABGKKOBSA-N 499.678 2.091 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 1740956074 GCOOHCNMJRGATE-HNNXBMFYSA-N 472.937 2.380 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCCN(c2ccc(OC)cc2)CC1 1740960264 OJFYIMAJUHAYPP-LJQANCHMSA-N 454.575 2.200 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 1740961468 DJKAEHYMEBQPPC-UHFFFAOYSA-N 455.563 2.060 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(CS(C)(=O)=O)cc2)C1 1740977732 XRSQCXGNIMXDIS-IBGZPJMESA-N 454.556 2.109 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@H](C(=O)OC)C1 1740987308 RVIYUEZUDWVTEC-HZPDHXFCSA-N 466.535 2.157 30 10 JEEE C[C@H](CN1CCOCC1)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCO[C@H](C#N)C1 1741876729 GQYKRDJXFROLQI-GUDVDZBRSA-N 458.538 2.254 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC1(c2ccc(F)cc2)CC1 1741922096 FHCKFTUQBIYPJB-JLTOFOAXSA-N 450.515 2.201 30 10 JEEE COc1cc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCC2(O)CCOCC2)cc(OC)c1OC 1748520604 GEBXGOPPUNAXSB-JOCHJYFZSA-N 475.521 2.344 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2C[C@@H](C)CN2CCOCC2)c1 1748694518 IKTSBAKKXKBEOI-NRFANRHFSA-N 487.608 2.288 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1[C@H]1C[C@H](c2ccc(F)cc2)C1)[C@@H]1CCS(=O)(=O)C1 1748801927 JZMQXKOYZZPZGW-MISYRCLQSA-N 473.574 2.301 30 10 JEEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1ccccc1CN1CCC(O)CC1)[C@@H]1CCS(=O)(=O)C1 1748805470 SFFXTMGUYUYTCX-NZQKXSOJSA-N 499.681 2.423 30 10 JEEE C#CCN(c1nnc(C2CCC2)n1Cc1ccc(C[S@@](C)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1748816284 YOAQULGHZBKICV-PRAQEBQASA-N 460.625 2.099 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccccc3Br)n2CCC2(O)CCOCC2)CC1 1748983900 HNBSUGOYARUUCX-UHFFFAOYSA-N 474.403 2.394 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2CCNC(=O)c2ccccc2F)CC1 1749016957 QXYHEWLNEZNZKO-UHFFFAOYSA-N 494.596 2.465 30 10 JEEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@@H](COC)C1 1749032603 NAMFKLXLSABUPD-QGZVFWFLSA-N 452.584 2.421 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1749366393 FCZOOLDWRBWCJE-MOPGFXCFSA-N 467.636 2.015 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1749368115 BGYDMYUXLCSVBS-QRVBRYPASA-N 467.636 2.219 30 10 JEEE C=CCn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1749620764 RBRFTFBDZHXULP-UHFFFAOYSA-N 484.601 2.492 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 1749660391 OGWFYBVUTJXNHJ-SFHVURJKSA-N 463.586 2.496 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1749680958 UXYZFADCZGCSCE-GLDPYIMESA-N 455.559 2.240 30 10 JEEE C=CCOc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(CC)C2CC2)cc1 1749685255 BXHWGMSDVRDUQP-HXUWFJFHSA-N 461.588 2.213 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC2(O)CCS(=O)(=O)CC2)C1 1749695576 FAGUKOOXHLKZAK-SFHVURJKSA-N 498.552 2.268 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC[C@@H](C(N)=O)C1 1749724966 PAUPZGBDSLKPAH-HZPDHXFCSA-N 477.656 2.434 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1749731392 CJBRXVHVTAQAEL-HXUWFJFHSA-N 462.620 2.255 30 10 JEEE CSc1cccc(F)c1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CC#N 1750274630 FCCHXHCUWOVVFG-YOEHRIQHSA-N 482.607 2.259 30 10 JEEE C#CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1760137990 OTMCPJUJORESFG-GOSISDBHSA-N 459.620 2.125 30 10 JEEE C#CCCCCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1760138884 LELWVXQWSKRAOL-INIZCTEOSA-N 451.543 2.469 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1nccc(C(F)F)n1)[C@H]1CCS(=O)(=O)C1 1760186994 BTZZMNGAEQKZIY-HNNXBMFYSA-N 473.509 2.051 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCN(CC(F)(F)F)C1 1760196709 LMPGTOFYAFWGQS-KRWDZBQOSA-N 479.528 2.306 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(C)C)n1C[C@H](C)CN1CCOCC1 1760240441 QWROTGQPLBOFGI-LJQANCHMSA-N 456.566 2.164 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)(C)C)n2C[C@]2(N(C)C)CCSC2)n1 1760252595 PZFNWQRLWRBGCQ-HSZRJFAPSA-N 459.664 2.496 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CC(C)(C)OC)CC1 1760268179 FCIRFACTJNTRIJ-UHFFFAOYSA-N 491.596 2.066 30 10 JEEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N(C)Cc1nc([C@H](C)OCC)no1 1760310372 CRTTZUHTJXESDD-ZDUSSCGKSA-N 468.356 2.426 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1[C@H]1CCCO1 1760316137 MTBKURIIZNJVQY-APAFKAMOSA-N 453.609 2.017 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N1CCC(C(=O)NCCOC)CC1 1760323162 BESXCHKXXRIEEU-JTHBVZDNSA-N 468.602 2.224 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 1760555405 FIEANQWOOLIKSJ-PKOBYXMFSA-N 496.655 2.374 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](c1ccco1)N1CCCCC1 1760688103 ARCBWZCSPMQSEM-FGTMMUONSA-N 463.608 2.304 30 10 JEEE C[C@H]1CN(CCCn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)CCCO1 1763198515 GISKHMFJVSKYQX-UGKGYDQZSA-N 486.642 2.331 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1772660454 YSQZPXPMEQSOOV-GOSISDBHSA-N 486.598 2.291 30 10 JEEE C=CCNC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)Cc1cc(Cl)ccc1S(=O)(=O)CC 1861000115 NTTOTMFRJQJIQI-LJQANCHMSA-N 464.971 2.411 30 10 JEEE C=CCNC(=O)[C@@H]1CCCN1C(=O)c1ccc2c(c1)C(=O)N(CCc1ccc(OC)cc1)C2=O 1861514982 LIRCBFCFUSCVEN-QFIPXVFZSA-N 461.518 2.441 30 10 JEEE COc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N(CCCN3CCOCC3)C2=O)c(OC)c1 1863421612 NWISHPJOKUKDQQ-UHFFFAOYSA-N 476.533 2.490 30 10 JEEE CCOC(=O)c1ccc(N2C[C@H](C(=O)Nc3c(C#N)nnn3-c3ccc4nc[nH]c4c3)CC2=O)cc1 1870151262 QNYUXGSTSCBRGX-OAHLLOKOSA-N 484.476 2.184 30 10 JEEE CN(C)c1cccc(-n2nnc(C#N)c2NC(=O)CCCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1 1870155197 ATDYLMDNRDHZEM-UHFFFAOYSA-N 488.464 2.128 30 10 JEEE C=CCn1cc(OCC(=O)NCCC)c(=O)cc1CN1CCN(c2ccccc2OC)CC1 1870681639 HWSDMOZMXPIVHK-UHFFFAOYSA-N 454.571 2.270 30 10 JEEE C=CCn1cc(OCC(=O)Nc2ccc(OC)c(Cl)c2)c(=O)cc1CN1CCN(C(C)=O)CC1 1870705191 IHGWSJZLUNTXKD-UHFFFAOYSA-N 488.972 2.378 30 10 JEEE C=CCn1cc(OCC(=O)NCCN(CC)CC)c(=O)cc1CNc1ccc(NC(C)=O)cc1 1870975577 AIVLUXXTOUYNRG-UHFFFAOYSA-N 469.586 2.442 30 10 JEEE COC(=O)c1ccc(/C=N/n2c(Cc3ccccc3[N+](=O)[O-])nnc2SCC(N)=O)cc1 1874295116 KPFJVOUZXTXDNP-SSDVNMTOSA-N 454.468 2.023 30 10 JEEE COC(=O)CSc1nnc(C(C)(C)C)n1/N=C/c1ccc(OCCN2CCOCC2)c(OC)c1 1874484526 ABMYTLIVKVOHGJ-BUVRLJJBSA-N 491.614 2.443 30 10 JEEE CC(C)(C)OC(=O)N[C@]1(C(=O)N2CCC(=CB3OC(C)(C)C(C)(C)O3)CC2)CCS(=O)(=O)C1 2180989925 BFTOATLYPCRFJQ-JOCHJYFZSA-N 484.424 2.249 30 10 JEEE C[C@H](NC(=O)[C@@H](CO)CNC(=O)OC(C)(C)C)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2256678895 RTSRIYFNVDOKPL-UONOGXRCSA-N 454.398 2.358 30 10 JEEE CN(CC1(O)CN(C(=O)OC(C)(C)C)C1)C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C 2259127707 IPHPBDTYEBXVFN-INIZCTEOSA-N 454.568 2.404 30 10 JEEE CN1CCN(C(=O)OC(C)(C)C)[C@H](CNc2nccc(B3OC(C)(C)C(C)(C)O3)c2F)C1 2266066697 NXYUJKFHYHGWNG-OAHLLOKOSA-N 450.364 2.483 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H](C)CN(C)C(=O)OC(C)(C)C 2267128482 RLIJRCCSTNJTJF-HNNXBMFYSA-N 450.389 2.435 30 10 JEEE Cc1cc(C(=O)N[C@H](C)C2(O)CN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2267157628 ZHESDYOJXFUWCB-CQSZACIVSA-N 466.409 2.456 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@@H]1C 2267190055 JFFMGWQRNUNIDR-RYUDHWBXSA-N 461.315 2.422 30 10 JEEE CC(C)(C)OC(=O)NCCc1nc(NC(=O)c2csc(B3OC(C)(C)C(C)(C)O3)c2)n[nH]1 2267287763 XVQMXDPKHJYLQL-UHFFFAOYSA-N 463.369 2.485 30 10 JEEE C=C(CCNC(=O)OC(C)(C)C)CNS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2267351100 SOAZXWXYQDXFPF-UHFFFAOYSA-N 467.397 2.130 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H]1NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2267354882 XFQKBHVRXQHEGI-HOTGVXAUSA-N 470.372 2.459 30 10 JEEE C[C@H](CCCN(C)C(=O)OC(C)(C)C)NC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2267511020 VTKGMHJUWCOWFC-OAHLLOKOSA-N 450.389 2.485 30 10 JEEE CN(Cc1sccc1B1OC(C)(C)C(C)(C)O1)C(=O)[C@@H]1C[C@H](O)CN1C(=O)OC(C)(C)C 2268650840 LJTYJQGIFQHXDL-HOCLYGCPSA-N 466.409 2.376 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)N[C@@H]1CCC=C1B1OC(C)(C)C(C)(C)O1 2268653505 NXTBSNMBYLFBLH-CVEARBPZSA-N 472.413 2.151 30 10 JEEE CC(C)(C)OC(=O)NC[C@H](CO)C(=O)N1CCc2sc(B3OC(C)(C)C(C)(C)O3)cc2C1 2268718774 ZVGTYKKWLKRUEF-OAHLLOKOSA-N 466.409 2.065 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@H](COc3cc(B4OC(C)(C)C(C)(C)O4)ccn3)O[C@@H]2C1 2280704810 ZUXMZELBOJPVIE-FGTMMUONSA-N 462.352 2.163 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1COC[C@@H]1NC(=O)c1c(F)cccc1B1OC(C)(C)C(C)(C)O1 2281786133 DFJCHXCAVKVJBA-PBHICJAKSA-N 464.343 2.394 30 10 JEEE Cn1ncc(C(=O)N[C@@H]2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)c1B1OC(C)(C)C(C)(C)O1 2281826894 OBYTYGZOUZOGKX-USXIJHARSA-N 460.384 2.095 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 2282005575 QEPWOKSBVONEMY-GOEBONIOSA-N 462.400 2.403 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)CCO1 2282180863 YEIMPNSRFIHEAA-SJORKVTESA-N 461.368 2.183 30 10 JEEE C[C@H](CNC(=O)c1ccoc1B1OC(C)(C)C(C)(C)O1)N1CCN(C(=O)OC(C)(C)C)CC1 2282193439 LHSXURDROONEIS-MRXNPFEDSA-N 463.384 2.250 30 10 JEEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@H]3COCCN3Cc3ccccc3)cc2)OC1(C)C 2282348425 LBKQVLGFIAIBAB-NRFANRHFSA-N 472.416 2.165 30 10 JEEE Cn1ncc(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 2282535161 KLLPAEGXYLIRFF-YQQAZPJKSA-N 460.384 2.095 30 10 JEEE Cc1nn(C)c(C(=O)N2C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]2C)c1B1OC(C)(C)C(C)(C)O1 2282559239 OALFXILEJIPXCS-LSDHHAIUSA-N 462.400 2.498 30 10 JEEE CCc1nn(C)c(C(=O)N2CCC[C@@H]2CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2282562089 XAHUOFCVLWIJBT-OAHLLOKOSA-N 462.400 2.411 30 10 JEEE CC(C)(C)OC(=O)NC1C[C@@H]2CC[C@H](C1)N2C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2282627066 GDSIQHSHQGYBOA-ALOPSCKCSA-N 458.368 2.436 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1CCO 2282648272 MEKKJIOHLPECQD-KRWDZBQOSA-N 460.380 2.430 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)c1 2282680848 SIPAIXBWROYXJO-DEOSSOPVSA-N 460.380 2.396 30 10 JEEE CC(C)(C)OC(=O)NC[C@@]12CC[C@@H]1CN(C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)C2 2283067133 DQYHCLUXERGYNV-IQMFZBJNSA-N 458.368 2.153 30 10 JEEE CC(C)(C)OC(=O)N[C@H](C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1)[C@@H](O)C(C)(C)C 2284062132 ISSZCVRDORFJKE-LSDHHAIUSA-N 483.440 2.359 30 10 JEEE NS(=O)(=O)c1ccc(CCNC(=O)C(=O)C=Cc2ccc(F)c(Br)c2)cc1 2325714178 TXFGZULABIYDHS-UHFFFAOYSA-N 455.305 2.177 30 10 JEEE C[C@H](C(=O)N[C@@H]1CCNC[C@@H]1C(=O)C=Cc1ccc([N+](=O)[O-])s1)N1C(=O)c2ccccc2C1=O 2328155892 CPGMXTFFJTXSNN-JEBQAFNWSA-N 482.518 2.018 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H](CNC(=O)OCc1ccccc1)C(F)(F)F 2337302708 YVBVOTCAXCSSHE-HNNXBMFYSA-N 496.295 2.306 30 10 JEEE CN(C[C@@H]1COCCN1C(=O)OC(C)(C)C)C(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2337397994 JOUMRWYVUBQYIO-CQSZACIVSA-N 467.397 2.150 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1CCc2scc(B3OC(C)(C)C(C)(C)O3)c2C1 2361633246 SDDQZMHCIBOAKF-WMLDXEAASA-N 478.420 2.302 30 10 JEEE COc1ccc([C@H](NC(=O)CN2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C(C)C)cc1 28961540 MEVAMRWDOHYDOX-XMMPIXPASA-N 470.595 2.387 30 10 JEEE N#C[C@H]1C(=O)Nc2nc(N3CCC4(CC3)OCCO4)[nH]c(=O)c2[C@H]1c1ccc(Br)cc1 72444370 AHPHEDIGLJJPRR-CABCVRRESA-N 486.326 2.099 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)NCc3ccccc3OCC(=O)NC[C@@H]3CCCO3)cc2C1=O 515573310 QGWRWWPELHWAMS-IBGZPJMESA-N 477.517 2.073 30 10 JEEE COc1cccc(NC(=O)C(C#N)=c2sc(=Cc3ccccc3)c(=O)n2-c2ccc(C(N)=O)cc2)c1 523255005 AUTJTPWHDUKMIC-UHFFFAOYSA-N 496.548 2.148 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)C[S@](=O)CC(=O)Nc2nnc(C(C)C)s2)nc1C 586303916 POUDWPLUSVKYJH-PMERELPUSA-N 471.586 2.095 30 10 JEEE CCOc1cc(C=NNc2nc(SCC(=O)NCc3ccc4c(c3)OCO4)n[nH]2)ccc1O 1084022251 WMGJSRZQPQQJKQ-UHFFFAOYSA-N 470.511 2.492 30 10 JEEE NC(=S)N1N=C(c2ccc([N+](=O)[O-])cc2)C(=NNc2ccc3ccccc3c2S(=O)(=O)O)C1=O 1084094622 XXNUZQCOQRLMDX-UHFFFAOYSA-N 498.502 2.253 30 10 JEEE C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCC[C@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 1252072512 MGSFMFUPJCYOAI-FHWLQOOXSA-N 450.580 2.078 30 10 JEEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CCN2[C@@H](C)CC[C@H]2C)CC1 1286311966 PFTYGYPGUGURAU-SZPZYZBQSA-N 455.651 2.312 30 10 JEEE C#CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1286322544 CIGVXCJWWPTRPF-DLBZAZTESA-N 470.599 2.253 30 10 JEEE C#CCCCn1c(COc2ccc(Br)cc2)nnc1N1CCN(CC(=O)NCC)CC1 1286357086 QKQHZRAZVZICPW-UHFFFAOYSA-N 489.418 2.291 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1CCC[C@@H](O)C1)[C@H]1CCS(=O)(=O)C1 1286382067 IUGDNCOQJGESGC-YZGWKJHDSA-N 488.610 2.140 30 10 JEEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1286384396 QLSDEPRHAVNJRX-ZJSXRUAMSA-N 472.611 2.302 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1CC[C@H](OC)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1286393738 MOWWRUPJTGOFPG-GJZGRUSLSA-N 450.527 2.461 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 1286398234 WNNFLMUASVMUMI-LJQANCHMSA-N 473.002 2.468 30 10 JEEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1Cc1c(CC)nn(C)c1OC 1286432677 SXQQYMDFWKWMJP-UHFFFAOYSA-N 465.583 2.085 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H](C(C)C)N2CCOCC2)CC1 1286474104 AMEDCZLMAYTLAZ-FQEVSTJZSA-N 458.010 2.106 30 10 JEEE C=C(C)COCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCN(CC(=O)N(C)C)CC1 1286606296 LVRPYWCVQQNLPG-UHFFFAOYSA-N 479.585 2.403 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)C(=O)NC 1286740625 RRWVVZUSBPVVTJ-GOSISDBHSA-N 475.615 2.154 30 10 JEEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccn2)n1CC1(O)CCS(=O)(=O)CC1 1286750353 YRJUTPBFGYIRDK-UHFFFAOYSA-N 473.624 2.458 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1286823172 LLFHZXMZBVKZOB-CVDCTZTESA-N 476.599 2.151 30 10 JEEE C=CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN2C(=O)NC[C@H]2C1 1286825244 HTDYZTQVNVWINR-ZDUSSCGKSA-N 452.382 2.169 30 10 JEEE C[C@H](CN1CCOCC1)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1288704868 GKKHDQPUFZBXPL-KNQAVFIVSA-N 486.642 2.189 30 10 JEEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(C)(=O)=O)C[C@@H](c2ccsc2)O1 1291217605 FDRMBVAIFRKTEL-KXBFYZLASA-N 472.596 2.394 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1300283077 RYZYVFBURLXOJR-AUUYWEPGSA-N 467.389 2.024 30 10 JEEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1300372469 RPCYKSBUOPTYFD-QFIPXVFZSA-N 466.634 2.076 30 10 JEEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H](C(C)C)N1CCOCC1 1300432372 HUKPVMXKYPBYOD-HXUWFJFHSA-N 458.994 2.288 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1C[C@H](c1ccc(C)cc1)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1300497376 YQADPEYZHCXTOA-BJKOFHAPSA-N 499.681 2.485 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H](C)SC)[C@H]1CCS(=O)(=O)C1 1300503028 ADAHHHHEMDOBAJ-AEFFLSMTSA-N 459.597 2.107 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCc1cc(OC)ccc1OC)[C@@H]1CCS(=O)(=O)C1 1300506431 TTZXFQDUWBDOMC-DENIHFKCSA-N 488.610 2.406 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2Cc2ccc(C)nc2)CC1 1300689545 YGMFCZJKJLHDRB-UHFFFAOYSA-N 462.554 2.478 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCC(=O)NC2CC2)CC1 1300718273 IKKCJTUVJZJARP-UHFFFAOYSA-N 469.977 2.018 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@]2(OC)CCOC2)CC1 1300719026 LTELSQUBMPEHJL-AREMUKBSSA-N 497.596 2.124 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2CC[S@](=O)C(C)(C)C)CC1 1300728624 BUYWMRQYMIFITA-UMSFTDKQSA-N 485.654 2.413 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@H]2CCOC2)CC1 1300733455 WFQNFFMNBGXMGY-ICSRJNTNSA-N 486.617 2.352 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCOc2ccc(F)c(F)c2)CC1 1301124136 GHYRKZDVXFSGHO-FQEVSTJZSA-N 497.568 2.371 30 10 JEEE C=CCC(C)(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1301142174 XHQHZQPOWVPMAF-SFHVURJKSA-N 456.576 2.146 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC=CCO1 1301403551 ZXQSBRUDTJCSPT-VXKWHMMOSA-N 487.626 2.191 30 10 JEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1ccccc1)CC1CCOCC1 1301458888 ILJHXYIECSKKRS-NRFANRHFSA-N 475.615 2.230 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1c1ccc(C)cc1 1301569080 PFKKJCQCAGZXTG-HKUYNNGSSA-N 481.644 2.139 30 10 JEEE CS(=O)(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCCCCC2)C1 1302448560 BHPSFRIRXXDRCV-HXUWFJFHSA-N 473.599 2.437 30 10 JEEE C#CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1C[C@H]1CCCN1S(C)(=O)=O 1358941366 HMPZEQWOBBANCG-CQSZACIVSA-N 482.404 2.210 30 10 JEEE C#CCN(c1nnc(-c2nnc(O)c3ccccc23)n1CCOCCCC)[C@@H]1CCS(=O)(=O)C1 1358961611 BXQHYEOWGVRKBH-QGZVFWFLSA-N 484.582 2.037 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H](c1ccsc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1358965333 SKLGGZVVJHODFU-SFTDATJTSA-N 484.651 2.255 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2CCc2noc(CC)n2)CC1 1359042110 RWDCKQGSGPNKIL-UHFFFAOYSA-N 463.542 2.108 30 10 JEEE C=C(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1359121087 VWGYUILAOMDNAE-INIZCTEOSA-N 456.572 2.172 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCCO3)n2CCc2ccc(S(N)(=O)=O)cc2)C1 1359319656 COKLBCXOVOFNHI-AZUAARDMSA-N 461.588 2.191 30 10 JEEE C=CCSCCn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1359341364 UTTHWKKGHYWEGS-FQEVSTJZSA-N 455.632 2.311 30 10 JEEE CC(=O)N1CCN(c2nnc(CC(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CC12CCCCC2 1359392476 UPRDSNYWKZJTPH-GHVJWSGMSA-N 483.617 2.374 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)N3C[C@H]4CCCS(=O)(=O)[C@]4(C(F)(F)F)C3)cc2C1=O 1463445221 KZTHLIUQYAWHCH-BFUOFWGJSA-N 456.442 2.050 30 10 JEEE CNC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2nccs2)C1 1503759326 BPJAKLSOVMSCAT-QGZVFWFLSA-N 451.556 2.390 30 10 JEEE COCCn1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@H](C(F)(F)F)C2)cn1 1504898322 HXVPJBLGOIAXPE-SFHVURJKSA-N 461.448 2.475 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccccc1CN1CCOCC1 1507547157 JYKQYCOUBIKOQL-OIBXWCBGSA-N 453.587 2.341 30 10 JEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1C[C@@H]1CCCN1CC)[C@@H]1CCS(=O)(=O)C1 1507633203 CIFDENQURGZHEQ-FCHUYYIVSA-N 485.654 2.183 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC[C@@H]1COCCO1 1507714350 NGFWIBJFBGQHEC-MOPGFXCFSA-N 463.579 2.242 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@](C)(O)c2ccccc2Cl)CC1 1507715833 IWJSFKHEUFFYMM-XMMPIXPASA-N 479.972 2.242 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccccc2CN(CC)CC)CC1 1507737804 FXBZNIFQWAFGHF-HSZRJFAPSA-N 491.640 2.085 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](c2ccsc2)N(C)C)CC1 1507741107 UVONSWJYYCIXMI-JOCHJYFZSA-N 494.669 2.470 30 10 JEEE C=CCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC2(CC1)COC(=O)N2 1507964914 HXTIPEQKCQXBEK-UHFFFAOYSA-N 452.515 2.400 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CCS(=O)(=O)CC1)C(C)C 1508015011 ZQNXFHZFYNHJKB-WOJBJXKFSA-N 451.637 2.453 30 10 JEEE C=CCn1c(Cc2ccccc2F)nnc1N1C[C@@H]2[C@@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1508062311 AJLWVTKHQVALMV-NEWSRXKRSA-N 491.589 2.321 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C)[C@H]1C 1508104288 LMNVWGMPTSHPHY-UEXGIBASSA-N 475.615 2.459 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC(=O)NC(C)C)C1 1508109988 QGHCHZIKDOUYGH-GOSISDBHSA-N 460.966 2.167 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2Cc2cnnn2C)C1 1508124837 CGRBGRJHQKWKEC-MSOLQXFVSA-N 458.567 2.308 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@H](C)[C@@H]1CC 1508136586 URFRMGXWADDJSJ-LPHOPBHVSA-N 456.576 2.146 30 10 JEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)C2CCN(C(=O)c3ccccc3)CC2)c1 1528405189 PVJJCPGKUCETCX-UHFFFAOYSA-N 459.546 2.412 30 10 JEEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1539142904 YMDZVYZGEGUAPN-ROUUACIJSA-N 497.604 2.295 30 10 JEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCNC(=O)c1cccc(O)c1 1539266828 SOJJLGMJDJUQLF-UHFFFAOYSA-N 498.591 2.051 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnn(C)c3)n2C[C@@H]2CCCSC2)n1 1539423741 FDFMHKUVGFQTEG-SFHVURJKSA-N 454.604 2.305 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)NC(=O)OC(C)(C)C 1539556669 GGWRQFNRKKPXSY-OPAMFIHVSA-N 465.620 2.476 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1539612784 PUBJLGGBQHXYCD-VQTJNVASSA-N 473.622 2.079 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(Cc2cnc(C)s2)CC1 1540864473 AZVOEXSROUFZOK-UHFFFAOYSA-N 497.625 2.352 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Br)s3)n2CCCNS(C)(=O)=O)C1 1540885966 SBGCFPVFOQGBCP-CYBMUJFWSA-N 490.449 2.490 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N(C)Cc1ccc([S@@](C)=O)cc1 1540900762 HAQOXSUKUFIJDE-SSEXGKCCSA-N 459.597 2.315 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCN(c2nc(CC)ns2)CC1 1540902608 MVIAWOPPEOUBFU-UHFFFAOYSA-N 465.649 2.277 30 10 JEEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1cc2c(cc1Br)CCC(=O)N2 1561725388 VXPIBIBAEMBEJP-UHFFFAOYSA-N 457.346 2.299 30 10 JEEE N#Cc1ccccc1N1CCN(C(=O)c2ccc(F)c(S(=O)(=O)Cc3ncon3)c2)CC1 1584296150 DZQMACPJTWPFQF-UHFFFAOYSA-N 455.471 2.017 30 10 JEEE C#CCCCCn1c(COc2ccc(OC)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1587786908 CYFSXIFYKBAPNI-FQEVSTJZSA-N 466.542 2.142 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H](c1ccco1)N(C)C 1588200058 BDBUTGJYXGXJNC-NRFANRHFSA-N 455.526 2.280 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccnc2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1588210570 JYNKLLZGEYBESZ-RTWAWAEBSA-N 452.584 2.007 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](OC)c2ccc(F)cc2)CC1 1588877098 VEOBSLNWWRINAE-NRFANRHFSA-N 482.560 2.007 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCN(C2CCOCC2)CC1 1589495126 PKHYSXVXTMTJGB-URVUXULASA-N 463.623 2.284 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCCN(C(C)=O)CC1 1589504016 GPDZBUMXYYPLAZ-IFMALSPDSA-N 487.626 2.388 30 10 JEEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H]2CCCCCC[C@H]21 1594813638 VKGKMUMQVHYPSH-AQNXPRMDSA-N 467.636 2.363 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1595785213 UOKCXFMUKLJLPE-UHFFFAOYSA-N 472.571 2.046 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1595821149 AQPXYGYIGKJDPA-KRWDZBQOSA-N 490.552 2.288 30 10 JEEE CC(=O)NC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2CC(F)(F)C2)CCO1 1596672565 ARHLFMJFBHRJFB-IBGZPJMESA-N 460.485 2.115 30 10 JEEE Cc1ncsc1CN(C)c1nnc(-c2ccc(C#N)cc2)n1CCC(=O)N1CCOCC1 1611862292 HVHLSBUWKZXGSF-UHFFFAOYSA-N 451.556 2.467 30 10 JEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cn(CC(F)(F)F)c(=O)nc1O 1635136246 NXZTWKDJNVFQPD-NSHDSACASA-N 454.833 2.163 30 10 JEEE COCCN(CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)Cc1ccc2c(c1)OCO2 1641785803 GAOHSLVHTAPAJR-IBGZPJMESA-N 456.568 2.334 30 10 JEEE N#Cc1ccc(Cc2cnc(NC(=O)NCCN3CCNC(=O)C3)s2)c(C(F)(F)F)c1 1671601960 GJMDQZBTZRDHNG-UHFFFAOYSA-N 452.462 2.178 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)c1cccc(OC)c1 1690047490 RYUWZACLBLMNFX-JOCHJYFZSA-N 499.637 2.060 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)C)n2CC2CCN(C(=O)OC)CC2)n1 1690108441 ZAAMGPOMFCGCPO-UHFFFAOYSA-N 457.579 2.363 30 10 JEEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1690131136 UKGDAKUFJXVXGX-HSZRJFAPSA-N 464.614 2.086 30 10 JEEE C#CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1690185795 HCWVIOYZWWGNOY-BZSNNMDCSA-N 474.631 2.431 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccccc2F)nnc1N1CCO[C@@H](CNC(C)=O)C1 1690252545 GBEBMWQAJANZAY-YDHSSHFGSA-N 473.549 2.319 30 10 JEEE C=C(C)Cn1c(COc2ccccc2OC)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1690295743 MPTXIGPGUKOSKH-SFHVURJKSA-N 461.588 2.446 30 10 JEEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1690515217 ICPDPUVMCSVZNO-JKSUJKDBSA-N 456.613 2.158 30 10 JEEE CC(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1692353222 FUJPNPNHVUFSRL-NRFANRHFSA-N 472.615 2.494 30 10 JEEE C[C@@]1(C#N)CCCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1692842075 AEUYSKYNLIUVLQ-VQTJNVASSA-N 467.954 2.417 30 10 JEEE COCC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1697725164 FAANIAJJFPAZAT-FQEVSTJZSA-N 472.615 2.494 30 10 JEEE COCCN(CCC#N)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H]1CCOC[C@@H]1OC 1698060588 DAAITAVAZSEIEO-QMMLZNLJSA-N 457.531 2.209 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CCS(=O)(=O)CC1CC1)[C@H]1CCS(=O)(=O)C1 1705562525 DUOOWMKGXUSHHP-IBGZPJMESA-N 497.042 2.050 30 10 JEEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCC(=O)N[C@H](C)CC 1705598866 RSYZBUPHCSMREV-HXUWFJFHSA-N 462.602 2.220 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cccnc1OC 1705628711 NHEMNMDRAPDGRX-LJQANCHMSA-N 486.573 2.124 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(CN3CCCC3)cc2)CC1 1705644032 FXFJQNPNQDFLBW-UHFFFAOYSA-N 491.640 2.026 30 10 JEEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](c2ccccc2)[C@@H]1C 1705661603 GEGIVMSDJPQAMV-TYPHKJRUSA-N 489.667 2.360 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCN(CC)C(=O)OC(C)(C)C 1705668955 XPWONYXACAHYBG-HRAATJIYSA-N 468.624 2.137 30 10 JEEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1705732938 GOXASQGWCAQKTG-MRXNPFEDSA-N 459.938 2.059 30 10 JEEE C=CCCCn1c(-c2cnn(C)c2)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1705816955 YVVFIRMMTWRQBN-UHFFFAOYSA-N 459.551 2.295 30 10 JEEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)CN1CCN(CC)CC1 1705843935 RKZUDPRTEMBJOY-LEWJYISDSA-N 491.681 2.482 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1705897879 VZHZRGWYYBYARZ-DAYGRLMNSA-N 474.949 2.308 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCN(C(=O)NC(C)(C)C)CC2)cc1 1705912100 YXUQOVUVXBCNHE-FQEVSTJZSA-N 481.601 2.472 30 10 JEEE CC[C@H](C)N(C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(c2ccccc2C#N)CC1 1708607850 BCOLCQYGFFHDFP-UNMCSNQZSA-N 499.685 2.499 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CCCCS1(=O)=O 1722277895 JTEJOXZNVQXCFS-HIFRSBDPSA-N 454.394 2.471 30 10 JEEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCN(C)C(=O)OC(C)(C)C 1722347549 KFGNCTVGKGZAQS-UHFFFAOYSA-N 451.535 2.247 30 10 JEEE C#CCN(CC#C)c1nnc(CCc2ccc(OC)cc2)n1C[C@@]1(N2CCOCC2)CCSC1 1722385777 ONECMASCOQFUPQ-SANMLTNESA-N 479.650 2.353 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1722433725 CFWVBLIYNGBNBG-JOCHJYFZSA-N 484.670 2.422 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2CCCCN2CCN(CC)CC2)CC1 1722434176 LTYHHPQTWWSPIT-UHFFFAOYSA-N 465.646 2.127 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1722494254 ODPSBMDPMLYMIA-ZACQAIPSSA-N 458.529 2.470 30 10 JEEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1722531988 YOZKBVJZQUMIJZ-JOCHJYFZSA-N 471.650 2.108 30 10 JEEE C=C(Cl)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCCC(=O)NC 1722552572 SCNBCGIRFBCTKN-OAHLLOKOSA-N 456.975 2.301 30 10 JEEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1722600469 NRFPGOHEHZHOBY-MRXNPFEDSA-N 456.613 2.302 30 10 JEEE C=CCNC(=O)Cn1c(N2CCc3ccc([N+](=O)[O-])cc3C2)nnc1[C@@]1(OC(C)C)CCOC1 1722704424 SYPOKNIGSZDMPB-HSZRJFAPSA-N 470.530 2.092 30 10 JEEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCS[C@@H](C)[C@@H]1C 1722730013 FOSNENSFJSORGA-GJZGRUSLSA-N 469.658 2.201 30 10 JEEE CC(C)(C)OC(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cnccn2)CC1 1722998797 CXJAJYGIHVRKFU-UHFFFAOYSA-N 475.557 2.458 30 10 JEEE CCOCc1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1C[C@H](C)N1CCN(CC)CC1 1729081662 GSTFEUCUNYYHHP-REWPJTCUSA-N 467.618 2.290 30 10 JEEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CC1CCN(CC(F)(F)F)CC1 1740638338 LACDYAXLEZIRIS-UHFFFAOYSA-N 462.476 2.353 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccc(Cl)cc2Cl)n1CCC(=O)N1CCOCC1 1740643953 QDFRTSMWWOOSES-UHFFFAOYSA-N 476.364 2.486 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@H]2CCCN2CCCO)CC1 1740690729 MHJGZKCKRRCQDU-LEWJYISDSA-N 470.593 2.159 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2ccc3c(c2)COCC3)CC1 1740701856 DUUFPWAAVWAIEN-LJQANCHMSA-N 481.597 2.089 30 10 JEEE C=C(Br)Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@@H](CN2CCOCC2)C1 1740736108 FLHGTDFQLNLNMT-INIZCTEOSA-N 469.428 2.264 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCS(=O)(=O)NC(C)C 1740736545 UIMFIYOVVSXSSQ-IEGUWTFLSA-N 494.662 2.369 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2ccccc2)C[C@H]1C 1740794825 IRPFHDGNJVQDHX-IRLDBZIGSA-N 473.643 2.484 30 10 JEEE C=C1CCN(c2nnc(-c3cc(OC)ccc3Br)n2CCNS(C)(=O)=O)CC1 1740820285 XGXANBNKHKIAGF-UHFFFAOYSA-N 470.393 2.422 30 10 JEEE C=CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1740875124 SAKPGXCYTJWJLW-UHFFFAOYSA-N 485.614 2.018 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1740987351 FKLZQWKFUVRHDW-NHCUHLMSSA-N 460.600 2.493 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](CN2CCCC[C@@H]2C)C1 1740992415 PNNCRNXKXFBXRU-PCCBWWKXSA-N 465.664 2.474 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1cc(F)ccc1N1CCOCC1 1748641353 FUNAMVCJZMMVST-KOSHJBKYSA-N 457.550 2.412 30 10 JEEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 1748765516 KACFGXFLLOXNCC-ZRBLBEILSA-N 453.587 2.271 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCc1ccc(OC)cc1OC)[C@@H]1CCS(=O)(=O)C1 1748817291 HWOGHENJVIWLAH-WOJBJXKFSA-N 488.610 2.059 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCOC1CCCCCC1)[C@H]1CCS(=O)(=O)C1 1748817694 OMQBKGWLPASHAX-MOPGFXCFSA-N 450.605 2.148 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cccc(OCC(N)=O)c1 1749056277 WRRIRGBKVWQSHZ-RPBOFIJWSA-N 467.570 2.223 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCC(OCC(N)=O)CC1 1749133270 JSNVATNKBLTFFI-IERDGZPVSA-N 460.604 2.086 30 10 JEEE C=CCCOCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1749445660 UWKRTUCIWCRSIJ-AWEZNQCLSA-N 458.382 2.252 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C(=O)OC)CC1 1749681892 KGNNDMCGKJQGFK-KRWDZBQOSA-N 476.578 2.042 30 10 JEEE N#C[C@@]1(F)CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2ccc(OCC(F)(F)F)nc2)C1 1750379843 IAIODBQHKQYMBI-LIRRHRJNSA-N 467.427 2.250 30 10 JEEE Cc1cnn(CCn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@H](C)[C@H](C)S(C)(=O)=O)c1 1751728645 BCOSADMSDVLPPS-MSOLQXFVSA-N 471.587 2.192 30 10 JEEE C#CCCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(CNS(C)(=O)=O)CC1 1760134044 YEAWOLLCSCTKHU-UHFFFAOYSA-N 473.599 2.285 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1C[C@@H](C)Oc1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 1760189240 GTCQLWJDMHKQQJ-MJGOQNOKSA-N 458.584 2.333 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN1CCC[C@@H](C)C1 1760240243 LMUQITVDCQWPJN-RTBURBONSA-N 476.622 2.399 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCCc3ccccc3)n2C[C@@H](C)N2CCOCC2)CC1 1760271126 MWVYDTOAAXHLAX-JOCHJYFZSA-N 478.641 2.140 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccc(F)cc1)N(C)C 1760290011 URTNXTMXMFAJKG-XWFZLUIHSA-N 462.595 2.322 30 10 JEEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1CCN(Cc2ccccc2)C1 1760374345 MVEQTNLYYWZACC-WOJBJXKFSA-N 495.049 2.074 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCS[C@H](C)[C@@H]1C 1760521847 FTTOXUOUMMXCCV-BBWFWOEESA-N 480.635 2.219 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CC[C@@](C)(C(N)=O)C1 1760526203 HSDUGEXZSQKNRW-XMMPIXPASA-N 454.575 2.293 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCc2ccccc2)C1 1760543671 RAWFSRBAHQWMJP-LEWJYISDSA-N 475.615 2.025 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1760551450 GEVVYVICLZISJB-MRXNPFEDSA-N 482.532 2.490 30 10 JEEE CC[C@@H](C)[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCc2nn(C)c(=O)cc2C1)OC 1763463647 ARYWKKDWQJPBFB-VGSWGCGISA-N 477.569 2.446 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1c(C)noc1C 1771100139 HQOVSUBWGTUEDZ-FQEVSTJZSA-N 484.582 2.358 30 10 JEEE N#CC(C(=O)N1CCOCC1)=c1nc(O)c(=Cc2ccc3noc(-c4ccccc4)c3c2)s1 1772724692 XSGKBDQCINLHKO-UHFFFAOYSA-N 458.499 2.019 30 10 JEEE COc1cc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2CCN(C)C)cc(OC)c1O 1862761522 MJFNCSFIISQASD-LJQANCHMSA-N 471.466 2.458 30 10 JEEE N#C[C@H](c1cccs1)N1CCC(C(=O)N[C@H](CO)C(=O)Nc2ccc3nc[nH]c3c2)CC1 1866866443 HMNMSSNVJJBYKM-RTBURBONSA-N 452.540 2.017 30 10 JEEE CCN(CC)CCNC(=O)c1ccc(-n2nnc(C#N)c2NC(=O)c2cc(OC)cc(OC)c2)cc1 1870139670 DCLIDXPZWGLNJY-UHFFFAOYSA-N 491.552 2.480 30 10 JEEE C#CCOc1cn(CCOc2ccc(OC)cc2)c(CN2CCN(C(=O)OCC)CC2)cc1=O 1870562715 SIIWVVVOJSUSTC-UHFFFAOYSA-N 469.538 2.222 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)Nc2ccccc2C(=O)OC)cn1CCCO 1870741155 YLYLONKUBMLENY-UHFFFAOYSA-N 469.538 2.209 30 10 JEEE C=CCn1c(C(=O)NCCc2ccc(OC)c(OC)c2)cc2c(N3CCC(C(N)=O)CC3)ncnc21 1873591420 JPUJGFYMPNIKSX-UHFFFAOYSA-N 492.580 2.309 30 10 JEEE C=CCC1(NC(=O)c2cc(I)cc(I)c2O)CNC1 1922251322 BSAGARRMNGZTNI-UHFFFAOYSA-N 484.075 2.249 30 10 JEEE CON(CCNC(=O)OC(C)(C)C)S(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2255750001 CKJQUIAZWNPUBE-UHFFFAOYSA-N 456.370 2.063 30 10 JEEE CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2256614252 MFZPIBROMZYTSL-OLZOCXBDSA-N 453.370 2.263 30 10 JEEE C[C@H]1CCC[C@@]1(NC(=O)OC(C)(C)C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2256676781 ZWMUSMVSORUWCK-YUNKPMOVSA-N 452.386 2.281 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@H](CCNC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2267175666 PAGUFRTWHYABKC-CQSZACIVSA-N 467.397 2.198 30 10 JEEE C[C@H](CCN(C)C(=O)OC(C)(C)C)NS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2267358124 CKPJVLJTYSEIBW-OAHLLOKOSA-N 469.413 2.305 30 10 JEEE CC(C)(C)OC(=O)NCCOCCCNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2267375596 JNGQZZYGTNNOND-UHFFFAOYSA-N 490.453 2.257 30 10 JEEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2B2OC(C)(C)C(C)(C)O2)CC1 2267466430 AFLVUPVCEOWTQO-UHFFFAOYSA-N 470.372 2.366 30 10 JEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)c1occc1B1OC(C)(C)C(C)(C)O1 2267488115 RMFHVRDWAAIPAU-HZPDHXFCSA-N 450.341 2.333 30 10 JEEE C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1F 2268634978 MFTKQPQNXMETTE-BZNIZROVSA-N 456.295 2.477 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)c1ccccc1 2268639519 QAHHAHBKHBYZRL-CQSZACIVSA-N 460.365 2.464 30 10 JEEE Cn1nccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2268654800 DTEJVKWTQOROGS-CQSZACIVSA-N 463.369 2.380 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H]2OCCN(C(=O)c3coc(B4OC(C)(C)C(C)(C)O4)c3)[C@H]2C1 2281829597 AKVMQFYUDNQMOM-IRXDYDNUSA-N 462.352 2.429 30 10 JEEE CC1(C)OB(c2cc(C(=O)N3C[C@H](CNC(=O)C(F)(F)F)C4(CCC4)C3)co2)OC1(C)C 2281831528 XQJWVZWKXQUYPG-AWEZNQCLSA-N 456.270 2.500 30 10 JEEE CCc1nn(C)c(C(=O)NCCC2CN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2281982887 QCOPJVOGBIOGIY-UHFFFAOYSA-N 462.400 2.269 30 10 JEEE CC(C)(C)OC(=O)NC1CCN(CCNC(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)CC1 2282192951 FOYCXQCEERLOFD-UHFFFAOYSA-N 463.384 2.298 30 10 JEEE CC(C)(C)OC(=O)NC1[C@H]2CN(S(=O)(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)c(F)c3)C[C@H]12 2282326603 VJDKWQWLWZLOOJ-GJZGRUSLSA-N 482.383 2.269 30 10 JEEE Cn1cc(C(=O)N[C@H]2C[C@H](CNC(=O)OC(C)(C)C)C2(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2282583299 ICFCWXZRAKUATH-ZBFHGGJFSA-N 462.400 2.389 30 10 JEEE Cc1c(C(=O)N2C[C@@H](C)C[C@H](NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282592289 AXYUHAMULQBJII-HOCLYGCPSA-N 462.400 2.403 30 10 JEEE Cc1c(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC23CC3)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282593938 XLJNVCZDXUZCIC-HNNXBMFYSA-N 460.384 2.157 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)C[C@]12CCOC2 2282596102 ADBRHUOWRGQKQJ-PEBXRYMYSA-N 479.408 2.341 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C2(CCC2)C1 2282613113 YFZKJKWBKLRKSC-INIZCTEOSA-N 458.368 2.295 30 10 JEEE Cn1nc(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)C(C)(C)C2)cc1B1OC(C)(C)C(C)(C)O1 2282614669 TUASUYPCTULGMC-OAHLLOKOSA-N 462.400 2.485 30 10 JEEE CN(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2sc(B3OC(C)(C)C(C)(C)O3)cc2C1 2283965278 ROLQZBMGRPPSRG-MRXNPFEDSA-N 479.452 2.387 30 10 JEEE Cn1nccc1[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2283981810 QEZYVONJHGEIEE-HNNXBMFYSA-N 477.396 2.058 30 10 JEEE COC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(OC)c(B2OC(C)(C)C(C)(C)O2)c1 2296177243 WZQGNFJMBJQQNP-QGZVFWFLSA-N 464.368 2.150 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1[C@H]2CCC[C@@H]2[C@@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2334388779 LKZVWQNMTJGPSK-XUXIUFHCSA-N 464.397 2.137 30 10 JEEE CC[C@@H](CN(CC)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C)NC(=O)OC(C)(C)C 2337207075 WMHBBWWGMXGVGB-HNNXBMFYSA-N 450.389 2.485 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1[C@H]2C[C@H](CN(c3cc(B4OC(C)(C)C(C)(C)O4)ccn3)C2)[C@H]1CO 2359163643 IJTZCLUHJOPDSZ-HNAWSFBYSA-N 459.396 2.339 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccco1 2362349157 DYVRGCQHAXZFJW-CQSZACIVSA-N 460.340 2.308 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]2C)n1C 2362493475 IUPMRJLXKCBWIM-LSDHHAIUSA-N 462.400 2.498 30 10 JEEE COc1nc(N2C[C@H](NC(=O)OC(C)(C)C)[C@@H]3COC[C@H]32)ccc1B1OC(C)(C)C(C)(C)O1 2365348475 QXKCHUVJHJZWLM-BHYGNILZSA-N 461.368 2.118 30 10 JEEE COc1ccc(/C(C)=N/Nc2nnc(SCC(=O)Nc3ccc4c(c3)OCCO4)n2N)cc1OC 21317187 NZUPGSFLZGKTRS-DHRITJCHSA-N 499.553 2.347 30 10 JEEE C=CCOc1ccc(/C=C\C(=O)NCCN=c2ncnc3n(C)[nH]c(Br)c2-3)cc1OC 729458417 ABKFKHZRRXPLQX-ZEJZPLCCSA-N 487.358 2.314 30 10 JEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)S(=O)(=O)c2ccc(NC(=O)C(F)(F)F)cc2)c1 750566600 MOCHTHSDMWTHDV-UHFFFAOYSA-N 495.479 2.223 30 10 JEEE C#CCNS(=O)(=O)c1cccc(C(=O)NC2CCN(C(=O)c3ccc(OCC)cc3)CC2)c1 793882761 FMFLKYCITLPKQT-UHFFFAOYSA-N 469.563 2.031 30 10 JEEE N=c1cc(N)n(N=Cc2ccc(N3CCN(Cc4ccccc4)CC3)c([N+](=O)[O-])c2)c(S)n1 1084113174 XAXNKBRKGVYRJT-UHFFFAOYSA-N 464.555 2.346 30 10 JEEE C#CCn1ccc(CN(CCOC)C(=O)c2cccnc2S[C@H](C)C(=O)N2CCCC2)n1 1128570510 NYOZWSGLOLSSJY-GOSISDBHSA-N 455.584 2.303 30 10 JEEE COC1(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CCN(C(=O)OC(C)(C)C)CC1 1138107966 GRVMQXYQAWOEKX-CVEARBPZSA-N 452.552 2.278 30 10 JEEE C=CCCn1cc(CNS(=O)(=O)c2cc3c(cc2Br)CCN3C(C)=O)nn1 1193475784 LMQVQHOUYKNNSZ-UHFFFAOYSA-N 454.350 2.004 30 10 JEEE C#C[C@@H](NC(=O)N1CCCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)c1ccccc1 1230489866 XTTLBKBCPPCMPH-HXUWFJFHSA-N 455.536 2.238 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CC2(CC)CCOCC2)c1 1286310018 QYNIPRQDHLAREH-FQEVSTJZSA-N 464.570 2.492 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 1286410423 SZYQCUVIVIUTIL-OALUTQOASA-N 487.626 2.043 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](CC)N1CCc2ccccc2C1 1286430878 KFCLCRQJFZPTCD-BJKOFHAPSA-N 479.650 2.480 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(Br)c3)n2Cc2cnn(CCOC)c2)CC1 1286473853 YWPXXAGDOKRKLT-UHFFFAOYSA-N 484.402 2.354 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H]2CCN(CC(F)(F)F)C2)CC1 1286493740 PQYSOZFMUYYUOF-HKUYNNGSSA-N 482.551 2.370 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 1286517887 WTIIAYAWJLWSEO-GAJHUEQPSA-N 492.646 2.448 30 10 JEEE C=C(Cn1c(N2CCN(CC(=O)N(C)C)CC2)nnc1[C@@]1(OC(C)C)CCOC1)c1ccccc1 1286619042 MILLUKYBLSHTIT-AREMUKBSSA-N 482.629 2.242 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](CC)O[C@H](C)C1 1286671987 DKOYJJVESZOHOV-SQNIBIBYSA-N 455.625 2.217 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 1286785724 QZRVZJBPAWAGLV-INIZCTEOSA-N 482.976 2.489 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCCN(C(=O)c2cccc(C)c2)CC1 1286825927 ZSTOLZFOBIZAHD-OAQYLSRUSA-N 487.626 2.391 30 10 JEEE CCNC(=O)C(C)(C)Cn1c(N2CCN(c3nccnc3C#N)C[C@H]2C)nnc1C(C)(C)C 1296250776 DWWRJTOFXHIVKD-MRXNPFEDSA-N 453.595 2.115 30 10 JEEE COc1cc(C)ccc1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1299829469 BGEUESZESYRSHX-UHFFFAOYSA-N 474.569 2.375 30 10 JEEE COc1ccc(CCn2c(-c3cnccn3)nnc2N2CCO[C@H](C#N)C2)c(Cl)c1OC 1300146365 FWYRZADPEWSKJT-OAHLLOKOSA-N 455.906 2.377 30 10 JEEE C#CCN(CC#CC)c1nnc(Cc2ccncc2)n1CCNS(=O)(=O)c1ccc(C)s1 1300586422 BMUKAGCLOSVTRA-UHFFFAOYSA-N 468.608 2.075 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](C)CN1CCN(CC)CC1 1300648266 MNLVAGNJVUBWOT-NFBKMPQASA-N 481.620 2.282 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(=O)NCC1CC1 1300666460 ZRTWNABHJUOMKS-IBGZPJMESA-N 474.606 2.005 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2CCCN2CCCO[C@@H](C)C2)CC1 1300693077 RKLDODRHWWEPFF-NRFANRHFSA-N 452.603 2.210 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@H](c2cccc(F)c2)N(C)C)CC1 1300719721 NLSKMBWZCCABEB-JOCHJYFZSA-N 476.560 2.143 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC(C)(C)OC)CC1 1300732760 OIIIHDHORYGKRK-KDURUIRLSA-N 488.633 2.440 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(Cl)cc1OC 1300806506 XKMOHRNBOAZVNO-DENIHFKCSA-N 494.017 2.313 30 10 JEEE C=C(Br)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1300857344 AWCWNDZEMALMFD-UHFFFAOYSA-N 490.337 2.492 30 10 JEEE C=CCCOCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(C(=O)NCC)CC1 1301253280 XQXRCLLWGPWTBW-UHFFFAOYSA-N 494.600 2.119 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC1CCC(OC)CC1)C1CC1 1301327236 ORMCEOFOWATEEW-UUKMXZOPSA-N 467.636 2.361 30 10 JEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 1301458938 LAKFTCBUJMZXGV-HJNYFJLDSA-N 488.658 2.286 30 10 JEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(Oc2ncccc2F)CC1 1301509181 BNFRTMKNOMXWNT-UHFFFAOYSA-N 468.537 2.024 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCN(c3oc(C4CC4)nc3C#N)CC2)nnc1C(C)(C)C 1301596489 QHJIQZJQYIOYHI-UHFFFAOYSA-N 473.603 2.240 30 10 JEEE CN(CCCO)C1CCN(CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)CC1 1307468850 DIIODXILIGQOQQ-FQEVSTJZSA-N 457.619 2.135 30 10 JEEE C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 1312638345 WBUVYQPXZNYSIC-LESCRADOSA-N 472.405 2.493 30 10 JEEE CCO[C@]1(c2nnc(N3CCO[C@@H](c4cccc(C#N)c4)C3)n2CC(C)(C)C(=O)NC)CCOC1 1314143716 AYBBKXLQXARVJV-CJFMBICVSA-N 482.585 2.152 30 10 JEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CCN1CCSCC1)[C@H]1CCS(=O)(=O)C1 1358957934 DAKUZAZUMYTXKR-IBGZPJMESA-N 480.059 2.274 30 10 JEEE C#CCN(c1nnc(-c2ccc(Br)cc2)n1C[C@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1358958784 WAIHERAQGPOUDL-FXAWDEMLSA-N 481.416 2.495 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@](C)(O)[C@@H](C)CC 1358972003 QBVFSAQRRRJBDG-FDDCHVKYSA-N 457.600 2.065 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCNC(=O)C(C)(C)C 1358991924 UGPMDABCORIXJA-UHFFFAOYSA-N 473.581 2.300 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1359038902 PBMQCHCNPMTTED-SFHVURJKSA-N 478.018 2.091 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N(C)C1CCC2(CC1)OCCO2 1359048498 SMEBLSXLSRYVMJ-UHFFFAOYSA-N 456.572 2.414 30 10 JEEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@H](C(=O)NCCC)C1 1359055376 BYIKYJQJTBDBDT-INIZCTEOSA-N 458.588 2.115 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCS(=O)(=O)CC1 1359093558 PBXRVZBTTKJMQL-XJKSGUPXSA-N 470.393 2.252 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCNC(=O)[C@@H]1CC 1359293084 GILKJDXKFZEOEV-NRFANRHFSA-N 461.570 2.370 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1359296873 XJQZIWPBBKUFAH-QGZVFWFLSA-N 481.557 2.415 30 10 JEEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2ccccc2F)CC1 1359304162 OJRAAMYZYXYCEF-UHFFFAOYSA-N 483.573 2.038 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1359304979 PQQYGKOYIOSIBZ-FQEVSTJZSA-N 468.602 2.469 30 10 JEEE CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)C1 1465618321 HFSALLOWTMTLKL-CNWZDORGSA-N 453.630 2.336 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)N2CCC(Oc3cncc(Cl)n3)CC2)C1 1478402967 GVGJMIRTWXXQJU-HIFRSBDPSA-N 450.927 2.442 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1Cc1cn(C2COC2)nn1 1507531320 CYWRFJBTCPHBNU-INIZCTEOSA-N 470.578 2.062 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1Cc1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 1507629223 RNGMEEKIWNOORS-INIZCTEOSA-N 462.938 2.146 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1NC(=O)CC1(C)C 1507650384 IXDDWTXUKYFBGC-RTBURBONSA-N 468.602 2.380 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)ccc3Br)n2CC[C@@H]2COCCO2)CC1 1507717445 DBHGIGSZLJUNDI-GOSISDBHSA-N 490.402 2.277 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2Cc2ccc(NC(N)=O)cc2)CC1 1507734411 MAUFPSOMPYXPGR-UHFFFAOYSA-N 461.526 2.351 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@H]2CCO[C@@H]2C(C)C)CC1 1507740157 PCBABLNLBJVIPC-NFBKMPQASA-N 450.587 2.291 30 10 JEEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CCCOCC(F)(F)F)CC1 1507782178 VYAOZYLEEUWYMY-CQSZACIVSA-N 495.344 2.229 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2sc(C)nc2C)CC1 1507902619 LTNWLFOSUBOGEJ-KRWDZBQOSA-N 466.633 2.135 30 10 JEEE C=CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21)c1ccccc1 1507924861 UVXYMZAZSXCUMY-NRDMVMEKSA-N 486.642 2.496 30 10 JEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@]2(CCSC2)C1 1507935714 UFRZOIKRZBSAMI-FXAWDEMLSA-N 455.650 2.301 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(N2CCCCC2)CC1 1508071867 GHJLZGVCWFNFLK-UHFFFAOYSA-N 486.642 2.106 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(c2cnn(C)c2)CC1 1508072239 HIJKUTREGCGNRK-UHFFFAOYSA-N 473.379 2.455 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(F)cc2Br)nnc1N(C)CCCC(=O)NC 1508074963 TUWNUQCIAWJJQJ-UHFFFAOYSA-N 467.343 2.111 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ncccc2C#N)CC1 1508136201 QFEGGXYRZOIQCP-UHFFFAOYSA-N 488.577 2.011 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCC(NC(=O)C2CC2)CC1 1508142679 AZRQQPCYUCVLCB-UHFFFAOYSA-N 475.590 2.104 30 10 JEEE CS(=O)(=O)[C@H]1CCCCN(c2nnc(-c3cccc(C#N)c3)n2CC2CCS(=O)(=O)CC2)C1 1519507692 FZDCMAUECGHBGV-FQEVSTJZSA-N 491.639 2.045 30 10 JEEE N#Cc1ccc(-c2nnc(N3CCC(O)(C(F)(F)F)CC3)n2C[C@@H]2CCS(=O)(=O)C2)cc1 1521089465 FBACHBIBSINQOA-HNNXBMFYSA-N 469.489 2.145 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2Cc2nnc(CC)s2)c1 1539042009 BFEUULAZIGRAOX-INIZCTEOSA-N 451.556 2.300 30 10 JEEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCCN(c2nc(CC)ns2)CC1 1539046354 RYYMPXJQIOIEJT-UHFFFAOYSA-N 456.620 2.448 30 10 JEEE C#CCN(c1nnc(CC)n1Cc1cc(Cl)c(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1539219506 KSEUCGLNMJMCHL-HNNXBMFYSA-N 452.964 2.186 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1cccnc1-n1cccn1 1539350313 HNDGDUNMTWPGGY-UHFFFAOYSA-N 461.551 2.437 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H](C(C)C)N2CCOCC2)CC1 1539453329 ICIBGUABTCYGEA-HSZRJFAPSA-N 454.594 2.120 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC2(OC)CCC(C)CC2)CC1 1539469226 PDCDSHBGABYALO-GMLZKYASSA-N 487.645 2.491 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@@H](C(C)C)N2CCCC2)CC1 1539483310 WMHOXKCDVOLJCM-QHCPKHFHSA-N 463.630 2.350 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@H]2CCN(CC)C2)CC1 1539484316 KTDAYMCRBDZHAK-QFIPXVFZSA-N 478.641 2.380 30 10 JEEE C#CCSCCn1c(CSc2ccccc2OC)nnc1N1CCN(S(C)(=O)=O)CC1 1539530439 HOYCWLATVODKNJ-UHFFFAOYSA-N 481.669 2.027 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCCCO2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1539752013 ZESQGVHSYWBIBU-BVSLBCMMSA-N 460.623 2.101 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(=O)N1CCOCC1 1540169829 IUJUOMYGDKMLRE-LJQANCHMSA-N 490.605 2.014 30 10 JEEE C=CCn1c(N2CCN(C(=O)CCc3ccc(OC)cc3)CC2)nnc1[C@@]1(OCC)CCOC1 1540861366 NXIZOXSEZQHVOG-RUZDIDTESA-N 469.586 2.406 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 1540862164 TZUGUDPPDISHRJ-HXUWFJFHSA-N 474.993 2.322 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1540865422 GHKKKRNWZDFAKD-QGZVFWFLSA-N 464.574 2.384 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2CC(=O)NCC(F)(F)F)c1 1587689344 HBXZVEAGMXMZNQ-UHFFFAOYSA-N 473.459 2.018 30 10 JEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)Cc2ccccc2C)CC1 1587765868 MIASDELAGBILMS-QFIPXVFZSA-N 483.638 2.183 30 10 JEEE C#CCN(c1nnc(-c2ccccc2F)n1CCc1nnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1588045651 NWGUQGBJMJVTFE-OAHLLOKOSA-N 460.560 2.114 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCc1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1588049932 NMFDKQKEIVTWDB-GOSISDBHSA-N 454.556 2.123 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCN(C(C)C)C(C)C)[C@H]1CCS(=O)(=O)C1 1588055027 RRSULQULRLUVPT-RTWAWAEBSA-N 465.664 2.308 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C(C)(F)F)cc1 1588233746 PXLWAXMRHYGJRC-FQEVSTJZSA-N 491.564 2.234 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccc(OC)cc1)N1CCCC1 1588385176 FSULKBWFPKKTSV-UNMCSNQZSA-N 471.627 2.485 30 10 JEEE C#CCN(CCOC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CCCn2cc(C)nc21 1588581157 IMIZRCDOGPKQFE-RDPSFJRHSA-N 456.591 2.487 30 10 JEEE C#CCSCCn1c(-c2cccnc2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1589047584 BNBAAMIEQRIXFG-DENIHFKCSA-N 467.643 2.085 30 10 JEEE C=CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)CC[C@@H]2C1 1594733354 RNFHVSGTEWOGCG-QZTJIDSGSA-N 460.579 2.364 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1595475127 AICFYPNUYIJMBQ-QRQCRPRQSA-N 458.950 2.090 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CCC)Cc1ccc(F)cc1C 1595550707 HVTMNUYBMMOGEH-GOSISDBHSA-N 463.579 2.347 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC(C(=O)NC)CC1 1595577600 YGBFLMQBQFMHEU-UHFFFAOYSA-N 481.384 2.429 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc3c(c2)CCCN3C)C1 1595672901 DIMKUWKDIDIBMI-PXNSSMCTSA-N 474.631 2.100 30 10 JEEE CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H]1[C@@H]1CCCO1 1617331633 AGCWOTSBIQFIOU-PMACEKPBSA-N 459.572 2.311 30 10 JEEE COC(=O)[C@@H](CNS(=O)(=O)c1cc(Br)c(C#N)cc1F)Oc1ccccc1 1622509876 HNRRKODBEJTULB-OAHLLOKOSA-N 457.277 2.359 30 10 JEEE C=CCNS(=O)(=O)c1ccc(C(=O)NC2CCN(C(=O)c3cc(Cl)c[nH]3)CC2)cc1 1627097390 XIAJOXWOXHHADV-UHFFFAOYSA-N 450.948 2.167 30 10 JEEE C#CCN(C(=O)c1cc(C2CCN(C(=O)OC(C)(C)C)CC2)no1)[C@@H]1CCS(=O)(=O)C1 1630830469 NSRDICCQRFVHLI-MRXNPFEDSA-N 451.545 2.052 30 10 JEEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN[C@H](CN2CCOCC2)c2ccccc2)CC1 1653127193 BJTDJKLDOAOYBM-YADHBBJMSA-N 453.612 2.120 30 10 JEEE C#CCN([C@H]1CCOc2ccc(Br)cc21)S(=O)(=O)N=[S@@](C)(=O)N(C)C 1661574810 RYKNLWCXUMNSPT-LFPIHBKWSA-N 450.380 2.027 30 10 JEEE C#CCn1ccc(CN(CC)S(=O)(=O)c2cc(C(=O)OC)c(F)cc2Br)n1 1661771310 XUXSSKYEYGUQAZ-UHFFFAOYSA-N 458.309 2.415 30 10 JEEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)Cc2ncsc2Br)[C@@H](C#N)C1 1667781272 QBHYSLKLHFIBCR-JTQLQIEISA-N 451.368 2.180 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccccc1C(F)(F)F 1689853590 WEKGVBFIOXVGCK-YJBOKZPZSA-N 485.532 2.330 30 10 JEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1ccc(O)cc1 1689892602 IVPSDLQLDZXIDM-RTWAWAEBSA-N 473.599 2.462 30 10 JEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)c1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 1689978479 WJDMDNVXXDLLTQ-CTNGQTDRSA-N 469.611 2.253 30 10 JEEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCCN(Cc2ccc(OC)cc2)C(=O)C1 1690169977 VHLYNYORLCXGJS-UHFFFAOYSA-N 479.610 2.293 30 10 JEEE C=C(Br)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@H](C(=O)OC)C1 1690228778 FRIUVUSCBBPVRG-INIZCTEOSA-N 476.379 2.360 30 10 JEEE C=CCCOCCn1c(-c2ccccn2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1690503913 RSYMWTOXQGQWAO-NZQKXSOJSA-N 467.618 2.312 30 10 JEEE C=CCN(c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCN1CCOC[C@@H]1C)C1CC1 1690539686 IZJZHNSOTSQOTM-SFHVURJKSA-N 474.631 2.071 30 10 JEEE C=CCN(CC=C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCCS(=O)(=O)C1 1690591786 VBHAACGGJKZVGJ-KRWDZBQOSA-N 478.644 2.241 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCN2C[C@H](C)O[C@H](C)C2)C1 1690712007 LVGLRSPAURRDQO-BHIFYINESA-N 457.623 2.420 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCNC(=O)C2CC2)C1 1690714060 CXIOOMMFXBBYEO-OTWHNJEPSA-N 474.606 2.356 30 10 JEEE C=CCS(=O)(=O)CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCN2C(=O)OC[C@H]2C1 1690730111 WGSQPYMJHDVODD-MRXNPFEDSA-N 498.030 2.465 30 10 JEEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCN(C)CC(F)(F)F)CC1 1690858742 ADOCUZWHEDYSPD-UHFFFAOYSA-N 479.507 2.281 30 10 JEEE C[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(=O)(=O)Cc2ccon2)C1 1693663166 HWGCDPSAGMLNTI-MRXNPFEDSA-N 455.544 2.161 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCCOC)[C@@H]1CCS(=O)(=O)C1 1705560061 IBUVTSNLZADEKN-SJLPKXTDSA-N 450.536 2.220 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1Cc1cc(C)nn1C)[C@@H]1CCS(=O)(=O)C1 1705560486 KZVZCBPVEUESME-PKOBYXMFSA-N 486.573 2.274 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1cccc(C(=O)N(C)C)c1)[C@H]1CCS(=O)(=O)C1 1705564373 BXEBOMDXGMYBNY-FQEVSTJZSA-N 471.627 2.244 30 10 JEEE C#CCN(c1nnc(C2CC2)n1CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1705567574 YWDJICLKDFJHDD-PKOBYXMFSA-N 477.631 2.429 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(F)cc2Br)n1CC(=O)NCCC 1705623948 KWETXFJHBONYMB-UHFFFAOYSA-N 452.328 2.459 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccccc3Cl)n2CCCN(CC)S(C)(=O)=O)CC1 1705637169 LYWKTHKKZFKOFY-UHFFFAOYSA-N 465.023 2.025 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCOC[C@H]1OC 1705670162 KLPNCQCFLYWTJA-ZILOHOTNSA-N 487.626 2.239 30 10 JEEE C=C(Br)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C(N)=O)CC1 1705687964 LZLAOEIQBUJBBU-OAHLLOKOSA-N 499.410 2.197 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1705700865 ZJOFWDPJTLAWCT-QYZOEREBSA-N 495.646 2.219 30 10 JEEE C=C(Cl)Cn1c(N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1705760719 QISJRYSPQSGTFT-PXNSSMCTSA-N 476.043 2.179 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](c2ccccc2F)C1 1705909311 SUFJXFXGZDMKKP-LRQRDZAKSA-N 459.522 2.021 30 10 JEEE Cc1cccc(C)c1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1707573844 FVFOCDOALVWTES-NRFANRHFSA-N 472.615 2.211 30 10 JEEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCO[C@H]2C(C)C)C1 1710345563 FVMICKMATWWJOU-NJYVYQBISA-N 472.615 2.396 30 10 JEEE COc1cc(OC)cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCN2CCCCC2=O)c1 1711703127 HWJURSQCLPTAAA-FQEVSTJZSA-N 454.531 2.094 30 10 JEEE C#CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1722333188 HZGOQVRRYVUTEM-OALUTQOASA-N 471.606 2.362 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCN(CC)C(C)C)[C@H]1CCS(=O)(=O)C1 1722359641 PECMQPFGOKOBJB-FQEVSTJZSA-N 459.616 2.311 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1CCOc1ncccc1F)[C@@H]1CCS(=O)(=O)C1 1722366871 SFQRRVGQMVVYNM-HXUWFJFHSA-N 483.569 2.417 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCNC(C)=O 1722400145 ILLKSPPVWFNGRH-FQEVSTJZSA-N 456.591 2.382 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccccc2F)n1CCCN1C(=O)NC2(CCCC2)C1=O 1722424394 LHWGIIHUJUVAMW-UHFFFAOYSA-N 468.533 2.425 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2nc(C(C)(C)C)cs2)CC1 1722440821 LEBYWLBZHSJPHA-UHFFFAOYSA-N 483.642 2.282 30 10 JEEE C#CCN1CCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1722442105 SPACWVHMJCATHA-QGZVFWFLSA-N 480.059 2.414 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2ccc(F)cc2F)C1 1722523264 LEAZZBONYRGYBF-RBUKOAKNSA-N 483.541 2.043 30 10 JEEE C=C(C)COCCn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1722537376 NILYFYDQSKEQKH-RTBURBONSA-N 453.609 2.117 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1722673080 IASXSVSLCBXSPI-HXUWFJFHSA-N 469.615 2.195 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1722693264 IRMMIGPGSCJUGR-HNNXBMFYSA-N 492.422 2.327 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(C=C)CC1 1722728528 WOFLJFFULMXPRI-UHFFFAOYSA-N 478.644 2.241 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCN(CC2CCOCC2)CC1 1722729278 HXBPWVNSIPNQRA-UHFFFAOYSA-N 491.633 2.157 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCn3c(nnc3-c3ccccc3)C2)nnc1C(C)(C)C 1722731430 KPDJRKOCDZYHDE-UHFFFAOYSA-N 455.588 2.455 30 10 JEEE CCN1CCN([C@@H](C)Cn2c(-c3ccc4c(c3)OCCO4)nnc2N(C)C[C@H](C)C#N)CC1 1728602962 HGOBANLYBXZSFV-MOPGFXCFSA-N 453.591 2.338 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCS(=O)(=O)CC)CC1 1740699903 YCDRKRVBCAPGFI-UHFFFAOYSA-N 473.643 2.345 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Cl)c3)n2CCCN2CCOC2=O)CC1 1740703078 FQXFTWHUOBVPOF-UHFFFAOYSA-N 470.961 2.407 30 10 JEEE C#CCSCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1740718521 PYQRQNYOSYNILK-HOYKHHGWSA-N 488.658 2.475 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccnc2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1740758486 XYBZYLUNUMXWQL-HOJAQTOUSA-N 460.604 2.087 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1C(C)C 1740761032 LVRDOTVIKVIJGT-WCIQWLHISA-N 467.636 2.217 30 10 JEEE C=C(C)COCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC(C(N)=O)CC1 1740786831 QCBKVNIKZJIUCT-UHFFFAOYSA-N 460.966 2.156 30 10 JEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C2CCOCC2)C1 1740864112 JUXFIDCUMVTZCO-PMACEKPBSA-N 467.636 2.220 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 1740950780 HKVXJJNMBBHQGC-QGZVFWFLSA-N 464.929 2.089 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc(COc2ccc(Br)cc2)n1CCS(C)(=O)=O 1741134531 CGWNPRGPYDEAAB-ZDUSSCGKSA-N 456.366 2.260 30 10 JEEE CCO[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCc2cccc(C(=O)N(C)C)c2)CCOC1 1746695520 GWHUADVAFIYYOV-BJKOFHAPSA-N 470.549 2.317 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 1748635927 ZOMSSVDQGLWWID-IRLDBZIGSA-N 450.587 2.263 30 10 JEEE C#CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1CCS(=O)(=O)N(C)C 1748775438 LWYILFWJCWAZQS-UHFFFAOYSA-N 460.785 2.322 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CC1(SC)CCOCC1)[C@H]1CCS(=O)(=O)C1 1748814816 JJYSSBPPGAORFX-ZWKOTPCHSA-N 468.645 2.059 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2Cc2cnn(C)c2)CC1 1749003382 HQGGJPJGLDGDPH-UHFFFAOYSA-N 469.496 2.294 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCNC(=O)c2ccc(C)c(F)c2)CC1 1749009642 LGJDGHKXTJCVTB-NRFANRHFSA-N 496.587 2.015 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2CCCNC(=O)C2CCC2)CC1 1749016962 RBEHRBCUBNBSHH-UHFFFAOYSA-N 468.627 2.203 30 10 JEEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](C(=O)NCCCC)C1 1749083967 SPGVWXQGTVAQBW-OAHLLOKOSA-N 455.401 2.458 30 10 JEEE C=CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)OC[C@@H]2C1 1749429892 FHTBNECRJMFUPR-DLBZAZTESA-N 462.551 2.194 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC(n2ccc(C(F)(F)F)n2)CC1 1749683006 GGQXAHRSRISSNN-OAHLLOKOSA-N 453.469 2.489 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC2(C(N)=O)CCOCC2)C1 1749695451 BYXOCDHMDMFVLH-GOSISDBHSA-N 471.558 2.026 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCOCC2(CCC2)C1 1749737071 WWDSMQJQZUTFET-UHFFFAOYSA-N 451.618 2.242 30 10 JEEE CC(C)N(CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@@H]2C1)C(C)C 1750896054 CNWFZBZSKAMFET-FQEVSTJZSA-N 467.574 2.488 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@](C)(OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1760180194 AATYSTYPRAGFMZ-CYFREDJKSA-N 488.610 2.404 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1CC(=O)N(C)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1760183962 FOGBJWYXQPAEOA-HXUWFJFHSA-N 499.637 2.372 30 10 JEEE C#CCN(c1nnc(C(C)C)n1Cc1ccccc1CN1CCC[C@@H]1CO)[C@@H]1CCS(=O)(=O)C1 1760184100 VIHLPQXSZJAMGD-DHIUTWEWSA-N 485.654 2.033 30 10 JEEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1CCCN1CCN(c2ccccc2)CC1 1760207082 XEZSXEPBJPJPMM-UHFFFAOYSA-N 470.625 2.425 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(Br)c[nH]2)n1CCN/C(O)=C1\N=CC=CC1=O 1760211732 LRQKWAGEOIJXJR-CZIZESTLSA-N 482.342 2.025 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2COc3ccccc3O2)n1CCS(=O)(=O)C(C)(C)C 1760220201 XOMCEDCYMNMARG-HXUWFJFHSA-N 456.568 2.467 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cc(Br)c[nH]3)n2Cc2cnn(C)c2)n1 1760253105 VNYWEEHDZDTEMF-UHFFFAOYSA-N 498.389 2.300 30 10 JEEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2Cc2ccc(C)n(C)c2=O)CC1 1760261707 VPKNSHCSRNAEFB-UHFFFAOYSA-N 460.582 2.285 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCCN2CCC[C@H]2CO)CC1 1760263967 WLZJQSRBIVTHLJ-YTFSRNRJSA-N 472.678 2.189 30 10 JEEE C#CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1760282582 JJQBZPMKORKETR-NRFANRHFSA-N 470.618 2.117 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1760314172 UHBGNOPPOSVLPD-ROUUACIJSA-N 475.663 2.401 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)NCc1ccco1 1760484769 KINDXAIMZYHFPP-SFHVURJKSA-N 487.557 2.421 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(N(C)C)Cc2ccccc2C1 1760495056 DFSVKJAKMNKFDB-OAQYLSRUSA-N 455.628 2.458 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(-n2cccn2)cc1 1760504759 AYBLKVNDJJIXKQ-LJQANCHMSA-N 456.572 2.053 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H](COCC)C1 1760515095 KRRRMNWYNQBEFR-CQSZACIVSA-N 451.369 2.211 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1760517702 VOBKNKDCTTXVLA-QGZVFWFLSA-N 457.485 2.025 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCCN(C(=O)c2ccc(Cl)cc2)CC1 1760524428 XTDVBAOVEUCWNP-IBGZPJMESA-N 487.004 2.480 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C)Oc2ccc(OC)cc2)C1 1760541670 GFIGRVSMNVXJFB-DBXWQHBBSA-N 476.599 2.438 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(=C)c2ccccc2)C1 1760544086 VNHARCPTJRYKNM-SFTDATJTSA-N 473.599 2.106 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CCO[C@H](c2noc(C)n2)C1 1760551836 SVFMZSUTLZOINN-IBGZPJMESA-N 472.571 2.378 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1760556194 WULZPFQXYPNBOW-CEXWTWQISA-N 495.646 2.424 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCN(C)C(=O)[C@H]2C)nnc1C1(c2ccccc2)CCC1 1760558590 UFSGIIXPUGYRNS-GOSISDBHSA-N 457.600 2.016 30 10 JEEE Nc1cccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccccc2[N+](=O)[O-])c1 1862556938 BNIOARCFVBRSEQ-OAQYLSRUSA-N 466.494 2.478 30 10 JEEE CC(=O)Nc1ccc(NC(=O)[C@@H](CO)NC(=O)C2CCN([C@@H](C#N)c3cccs3)CC2)cc1 1866866049 CMFDRIOCQMMLSG-UXHICEINSA-N 469.567 2.099 30 10 JEEE C=CCn1cc(OCC(=O)Nc2cc(C)cc(C)c2)c(=O)cc1CN1CCC(C(N)=O)CC1 1870722032 RHMFXSJJNGSWNW-UHFFFAOYSA-N 452.555 2.366 30 10 JEEE CCCNC(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1cccc(Br)c1 1874432709 SYFBCYABJLKBLG-ZVBGSRNCSA-N 453.366 2.177 30 10 JEEE C=CCC1(NC(=O)[C@]2(O)CCN(C(=O)OC(C)(C)C)C[C@H]2O)CCN(C(=O)OC(C)(C)C)CC1 2197427211 LUPUVYWEOUZFIR-OSPHWJPCSA-N 483.606 2.181 30 10 JEEE C[C@@H](NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)C1(O)CN(C(=O)OC(C)(C)C)C1 2255877146 HZUUQDWZTAELBS-CYBMUJFWSA-N 452.382 2.147 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@]1(CF)CCN(C(=O)OC(C)(C)C)C1 2267260688 PJMVBBOMTSGKPW-JOCHJYFZSA-N 451.348 2.403 30 10 JEEE COC(=O)[C@@H](CCNC(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2267284044 XANUVKDBUYCBBV-CQSZACIVSA-N 468.381 2.234 30 10 JEEE CC1(C)OB(c2sc(S(=O)(=O)N(Cc3ccccc3)CC3(O)CNC3)cc2Cl)OC1(C)C 2267352567 GFYFLWQOTHEHAY-UHFFFAOYSA-N 498.863 2.226 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](OCC(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C1 2268711261 RCMCEQQNBPXOTQ-AWEZNQCLSA-N 467.397 2.085 30 10 JEEE CC1(C)OB(c2cscc2S(=O)(=O)N[C@H](COCc2ccccc2)CC(=O)O)OC1(C)C 2269039101 DCGULVWWYXRYHK-INIZCTEOSA-N 481.401 2.386 30 10 JEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CCCCC[C@@H]2NC(=O)OC(C)(C)C)n1 2281951243 HINXASALAUBLIJ-CABCVRRESA-N 463.388 2.070 30 10 JEEE Cc1nn(C)c(C(=O)N[C@]23CCN(C(=O)OC(C)(C)C)C[C@H]2C3)c1B1OC(C)(C)C(C)(C)O1 2281988536 NYTOANXTQQETSO-CMJOXMDJSA-N 460.384 2.157 30 10 JEEE CCn1cc(C(=O)N=S2(=O)CCN(C(=O)OC(C)(C)C)CC2)nc1B1OC(C)(C)C(C)(C)O1 2282039503 WFCCPRCIERRKJW-UHFFFAOYSA-N 482.412 2.061 30 10 JEEE CCn1cc(C(=O)N=[S@]2(=O)CC[C@H](NC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2282042521 COOJITLFYBXUJY-UUBFPDNSSA-N 482.412 2.107 30 10 JEEE CC1(C)OB(c2cnc(C(=O)NC[C@H]3CCCCN3C(=O)C(F)(F)F)c(F)c2)OC1(C)C 2282050393 LWUODILBGXNUTD-CYBMUJFWSA-N 459.249 2.193 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@H](CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)c(F)c2)C1 2282473301 JHNVBZCUEKFURU-MRXNPFEDSA-N 464.343 2.491 30 10 JEEE Cc1c(C(=O)NC[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282553612 ZGWPKORLYMIHPG-HSZRJFAPSA-N 462.400 2.405 30 10 JEEE Cn1nc(C(=O)NC[C@@H]2CCCCN(C(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2282619994 YVTGKHSCQOWWQF-INIZCTEOSA-N 462.400 2.486 30 10 JEEE CC(C)(C)OC(=O)N1CC2(CC=CCN2C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2282679265 XPNMVTJVNGMRPE-UHFFFAOYSA-N 456.352 2.167 30 10 JEEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)CC1(C)C 2282698998 GOLTYUNMJAPFKR-AWEZNQCLSA-N 463.388 2.022 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1COCCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2O)C1 2282800526 RVODNYGDWGBWOC-MRXNPFEDSA-N 462.352 2.057 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@@H]2NS(=O)(=O)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2282842286 VWRJAUYYNXRGMI-NZSAHSFTSA-N 478.420 2.413 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](O)CN(c2ccc([N+](=O)[O-])c(B3OC(C)(C)C(C)(C)O3)c2)C1 2282939175 ZYADZHRDJLOULA-GDBMZVCRSA-N 463.340 2.358 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H](C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)CO1 2284069964 ZTGHSAGPRCSFQJ-CABCVRRESA-N 481.424 2.378 30 10 JEEE CN(C[C@@]1(O)CCCN(C(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)C1)C(=O)OC(C)(C)C 2286315555 JZXZDWJLBNEDHR-QFIPXVFZSA-N 481.424 2.276 30 10 JEEE Cc1ccc(NS(=O)(=O)CCN2C(=O)c3ccccc3C2=O)c(F)c1B1OC(C)(C)C(C)(C)O1 2327858498 ZAARUZNVCCOARN-UHFFFAOYSA-N 488.346 2.471 30 10 JEEE CC(C)(C)OC(=O)NCC1CN(C(=O)c2cc(F)c(B3OC(C)(C)C(C)(C)O3)cc2O)C1 2339427622 YJEXRMIVWHHLMN-UHFFFAOYSA-N 450.316 2.427 30 10 JEEE C[C@@H](NC(=O)CCN(CCO)C(=O)OC(C)(C)C)c1nscc1B1OC(C)(C)C(C)(C)O1 2342700352 IHKCBXXAGFUKRG-CQSZACIVSA-N 469.413 2.239 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@H](CCN=c2cc(B3OC(C)(C)C(C)(C)O3)c(F)c[nH]2)C1 2345725236 VECBWDYRWJZXAB-OAHLLOKOSA-N 451.348 2.380 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)n1C 2362338402 DYAYKTKKDCRKFK-BZUAXINKSA-N 460.384 2.013 30 10 JEEE Cc1cc(C)c(C)c(S(=O)(=O)/N=C2\C=C3N(CCO)CCO[C@]3(O)c3ccccc32)c1C 16700315 NCQREQTZXWVHTB-YPIBWQMHSA-N 456.564 2.465 30 10 JEEE CCn1c(N2CCN(C)CC2)c(/C=C2\SC(=S)N(CCCOC)C2=O)c(C)c(C#N)c1=O 33467687 VKKXZBDTTVDLOE-AQTBWJFISA-N 475.640 2.038 30 10 JEEE CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CCOCCO)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 102554653 UPPKLPQGPSGVSC-LCPUNJGISA-N 456.451 2.424 30 10 JEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCCN3C[C@@H](C)C[C@H](C)C3)nnc12 107628599 DEWBGGZFMAMVQN-IRXDYDNUSA-N 454.600 2.416 30 10 JEEE C=CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cc(Br)c(O)c(OC)c2)c1=O 522109865 CFAURPNONAAIRQ-UHFFFAOYSA-N 475.364 2.445 30 10 JEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC(F)F)c(=O)n1-c1ccccc1C#N 603999947 HAZAYVJMYUEMDI-UHFFFAOYSA-N 478.480 2.177 30 10 JEEE CC(=O)N1CCN(CCOc2ccc(CCNC(=O)[C@@H](C)Oc3ccccc3C#N)cc2)CC1 609073290 ISWXTGAPRIYNTC-HXUWFJFHSA-N 464.566 2.227 30 10 JEEE CC(=NNc1nc(SCCC(=O)Nc2ccc(S(N)(=O)=O)cc2)n[nH]1)c1cccs1 1084464247 NLSSTTMWSHFMRN-UHFFFAOYSA-N 465.586 2.471 30 10 JEEE C#CCN(C)CCCNC(=O)N1CCN(c2nn3cc(-c4ccc(F)cc4)nc3s2)CC1 1229291502 FVQYFIWKCRKSDK-UHFFFAOYSA-N 455.563 2.384 30 10 JEEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1286355966 GVDHUICMTDDCDC-OYRHEFFESA-N 480.661 2.180 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1ccnc(OC(F)F)c1)[C@H]1CCS(=O)(=O)C1 1286389886 SDAIVKYAURJRQT-KRWDZBQOSA-N 488.520 2.320 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1286424952 ROVKTZNKRYDZSH-NHCUHLMSSA-N 487.612 2.272 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCCCCC2)nc1 1286430218 FVYGPULAVSGXDO-QFIPXVFZSA-N 480.638 2.467 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CC(F)(F)Br)CC1 1286491436 RSQJWODUNVGBSJ-UHFFFAOYSA-N 467.318 2.217 30 10 JEEE C#CCSCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCN(CCOC)CC1 1286504248 KHNZWOSAIYRNPB-UHFFFAOYSA-N 495.653 2.371 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)OCC)CC1 1286546379 IVSZOBTVMWPMQH-PKOBYXMFSA-N 462.595 2.456 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(CC(=O)NCC)CC1 1286551292 LPGNUYHDDNMXKG-HYBUGGRVSA-N 498.628 2.202 30 10 JEEE C=C(C)Cn1c(Cc2ccsc2)nnc1N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 1286594560 BGAOWTAKRBZLLY-SFHVURJKSA-N 453.634 2.383 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCOc2ccc(F)c(F)c2)CC1 1286646534 SPFDPAVRXIHIFO-IBGZPJMESA-N 483.541 2.125 30 10 JEEE C=CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1286687464 NYWJBUBSJJTGBF-KRWDZBQOSA-N 485.614 2.066 30 10 JEEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(Nc2cc(OCC)ncn2)CC1 1286700857 SHGSIGAGKCJGRJ-KRWDZBQOSA-N 475.619 2.416 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCc2cccnc21 1286758133 FCPBAGPLUFIEAG-VQTJNVASSA-N 472.615 2.305 30 10 JEEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(C)[C@@H](C)Cc1ccccc1OC 1286787391 UMPNLXGOVRMTHW-INIZCTEOSA-N 466.542 2.384 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1286804472 NRMKIZNEKGTDPN-FUHWJXTLSA-N 462.572 2.178 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCO[C@@H](C#N)C1 1286815401 UCQQLYFWOIVURO-WBVHZDCISA-N 461.613 2.461 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(=O)C(C)C)CC1 1286817928 QOSMPEYWNBLGBI-SFHVURJKSA-N 493.605 2.463 30 10 JEEE CC[C@H](C)[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1)OC 1291406857 CZQRJZRCQIZVCT-IDPBPBMLSA-N 490.630 2.399 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CCN1CCCC1 1292123255 BACIMQINTKPCFC-UHFFFAOYSA-N 478.645 2.486 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1CCN(Cc2cccs2)CC1 1300270556 DAAGIULNJOYPPT-IAGOWNOFSA-N 464.661 2.320 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC[C@@H](C(F)F)N1CCOCC1 1300284642 UFWNKVKOOMCCQW-APWZRJJASA-N 481.569 2.163 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCCO3)n2C[C@@H]2CC[C@H](CO)O2)c1 1300335019 YJIAELXPZOBLKP-PWRODBHTSA-N 453.543 2.116 30 10 JEEE C#CCCCn1c(COc2ccccc2F)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1300423717 UMKIZFKGWJCPSU-HSZRJFAPSA-N 454.506 2.224 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1Cc1ccc(OC)cc1F)[C@@H]1CCS(=O)(=O)C1 1300479348 MCTXRTFJVZZQRU-GOSISDBHSA-N 491.589 2.019 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1C[C@@H](C(C)C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1300489173 JVVQLGSGCZYWFA-ZEQRLZLVSA-N 499.681 2.491 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1CCSCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1300490719 CETYSCIDTZCBFV-LJQANCHMSA-N 468.608 2.295 30 10 JEEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(F)cc1C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1300491964 KJXUAUJXCZADSB-DOTOQJQBSA-N 499.490 2.062 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCN1C[C@@H](C)O[C@H](C)C1 1300532501 XDVYCRYRAKRTON-RTBURBONSA-N 459.554 2.166 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CCCCS1(=O)=O 1300535613 KOFUULAICBQUBO-VQTJNVASSA-N 489.642 2.433 30 10 JEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1Cc1cccc(C(=O)N[C@@H](C)CC)c1 1300591733 VVCKMAFFJKZNFN-FQEVSTJZSA-N 460.582 2.440 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@](C)(O)C2CC2)CC1 1300700783 WKFCUOGZQWUVBV-DFBJGRDBSA-N 472.634 2.309 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(Cl)cc3)n2Cc2nncn2CC)CC1 1300731271 MJCVCNHCKMPFBB-UHFFFAOYSA-N 482.976 2.136 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CCOc2ccccc2)nnc1N(C)CC(=O)N1CCOCC1 1300889307 BPNDZNQCGBLYET-GBXCKJPGSA-N 469.586 2.176 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1300893155 XWCXSOFWWIMDKA-RXVVDRJESA-N 494.687 2.381 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC)c(F)c1 1300915171 IQUMVFPTCWQTQM-LJQANCHMSA-N 467.567 2.209 30 10 JEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccc(Br)n2)CC1 1301065719 IOJBDEMMVQLDPL-CYBMUJFWSA-N 455.382 2.251 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](OC)[C@H](C)CC)CC1 1301127081 YJHGFYXMZIYSRM-QRQLOZEOSA-N 455.625 2.075 30 10 JEEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1301197279 HIZZEQUZQZTKGM-UHFFFAOYSA-N 472.615 2.300 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC(NC(=O)c2ccc(C)s2)CC1 1301596623 UNZDSPMSGRHYCR-GOSISDBHSA-N 493.655 2.499 30 10 JEEE COCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1301727471 DBVOLEIRJSHDBM-QGZVFWFLSA-N 465.524 2.468 30 10 JEEE CCC[C@H](Cn1c(N2CCN(c3ccc(C#N)cn3)CC2)nnc1[C@@]1(OCC)CCOC1)OC 1306591434 DIFKVJDKJQAEIL-HYBUGGRVSA-N 469.590 2.339 30 10 JEEE COc1ccc(CCn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C#N)C2)c(Cl)c1OC 1315463850 DTFADCHHGHQBIU-INIZCTEOSA-N 474.949 2.043 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)c1cccc(F)c1 1358890313 NSHVKZGLMUZCQW-LPHOPBHVSA-N 463.579 2.186 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1cccc(CSC)c1)[C@H]1CCS(=O)(=O)C1 1358964419 YVFQKINMJPPIGV-UXHICEINSA-N 460.625 2.320 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2CC(C)(C)N2C[C@@H](C)O[C@H](C)C2)CC1 1359034668 ZMDAFPXJJMRVDQ-NHCUHLMSSA-N 451.619 2.292 30 10 JEEE C#CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1359057076 RVCQNCVAWGQBJU-MSOLQXFVSA-N 491.687 2.076 30 10 JEEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1359062258 AVJSNROUDFSGLZ-IAGOWNOFSA-N 451.593 2.226 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CCN2CCCC[C@@H]2C)CC1 1359331811 IMLWFYZOXWOBHW-PZJWPPBQSA-N 492.690 2.311 30 10 JEEE C=CC[S@](=O)(=NC(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccccc1 1456899079 WGAJFVFHWPBZBX-LJCCMPMRSA-N 452.598 2.336 30 10 JEEE C=CCc1ccc(OCC(=O)N2CCN(S(=O)(=O)c3csc(C)n3)CC2)c(OC)c1 1459777691 MNQOKUPHSHJXHQ-UHFFFAOYSA-N 451.570 2.101 30 10 JEEE C=CCS(=O)(=O)CCNC(=O)N1CCC(N2CCN(c3cccc(Cl)c3)CC2)CC1 1478282695 JEJXWRNJGYOHSA-UHFFFAOYSA-N 455.024 2.237 30 10 JEEE C#CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1507592880 UXGOMNIJGREJFW-LJQANCHMSA-N 499.616 2.279 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H](CC)Oc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1507622335 FDSUSEFCVJJKTJ-QZTJIDSGSA-N 491.589 2.040 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCc1ccc(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1507631386 OZNOILLCCLIIKB-SFHVURJKSA-N 469.567 2.160 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H](C)N2CCC[C@H](C)C2)CC1 1507733736 KJDVOXPWZHLJLX-PMACEKPBSA-N 485.677 2.283 30 10 JEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)Cc1ccc(OC)cc1 1508059696 YYJUJQCYVQWKBI-XLIONFOSSA-N 463.604 2.121 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)C[C@H]1CCCOC1 1508073408 XKGFEPSKBRWVJR-QGZVFWFLSA-N 460.966 2.027 30 10 JEEE CC(C)NS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1509784192 GLWPFYAXBDTSTE-HXUWFJFHSA-N 458.588 2.323 30 10 JEEE C[C@H](CC#N)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCC(=O)NC1CCCCC1 1509943533 DOEZFNHWNCWFHH-QGZVFWFLSA-N 462.562 2.498 30 10 JEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1ccc(COC)o1 1539071681 CVJIKXIZCWZLME-FPOVZHCZSA-N 491.614 2.495 30 10 JEEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC2(CCN(C)C2=O)CC1 1539125011 JVKBQGFLOWJZHC-LJQANCHMSA-N 486.617 2.449 30 10 JEEE C#CCCCn1c(COc2ccccc2OC)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1539139516 KFOMJARRODWUTA-UHFFFAOYSA-N 467.570 2.354 30 10 JEEE C#CCN(c1nnc([C@@H](C)CC)n1CCNC(=O)c1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 1539201614 AVZWEGHLSSFOOK-ICSRJNTNSA-N 457.600 2.157 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCN(C)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 1539221550 PSMQISOOYRFKMO-SFTDATJTSA-N 463.648 2.411 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCc1cccc(C)n1 1539409287 VMORPBADMUYTPZ-UHFFFAOYSA-N 457.538 2.224 30 10 JEEE C#CCSCCn1c(-c2cccnc2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1539512709 GNDXBOQEMGLBQE-UHFFFAOYSA-N 455.632 2.087 30 10 JEEE C=C(Cl)Cn1c(N2CC[C@@H](N3CCN(C(C)C)CC3)C2)nnc1[C@]1(OCC)CCOC1 1539821399 ZVVNTHUILWNYHZ-KNQAVFIVSA-N 453.031 2.287 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNc1nccc(C(F)(F)F)n1 1540169228 ABMJYNYEHIUQNH-AWEZNQCLSA-N 471.509 2.280 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(Nc2cccnn2)CC1 1540866879 DELKBKOJLDWMGA-UHFFFAOYSA-N 478.557 2.135 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)[C@H]1CCOC1 1540902239 DTALBMITQPJUDV-SFHVURJKSA-N 483.635 2.219 30 10 JEEE CC[C@@H](C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(S(C)(=O)=O)CC1 1545691484 BVDVYIGCIUXWMY-MRXNPFEDSA-N 458.588 2.135 30 10 JEEE CCCOc1ccc(-c2nnc(N(C)[C@@H](C)CC#N)n2C[C@]2(O)CCS(=O)(=O)C2)cc1OC 1547260868 GHWFIJHLNIFXKU-KSFYIVLOSA-N 477.587 2.030 30 10 JEEE C#C[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc3nc(O)[nH]c3c2)cc1)C1CCOCC1 1557580058 ROGRXQGZANWRJF-GOSISDBHSA-N 454.508 2.228 30 10 JEEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cc(Br)c(C#N)cc2F)n1 1561531998 XXFKSAOSCCAPBS-UHFFFAOYSA-N 455.309 2.127 30 10 JEEE COC(=O)CCNC(=O)[C@H]1CS[C@H](C)N1C(=O)c1ccc(COc2ccc(C#N)cc2)o1 1570123210 BBILHICPDSKMJY-RDTXWAMCSA-N 457.508 2.313 30 10 JEEE C=CCN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NCCC(N)=O)c1 1586538852 RMRZBVLGCZLCCG-UHFFFAOYSA-N 451.932 2.335 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@](C)(O)[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1588035411 UELRETFXWUXADQ-LTMIRXACSA-N 460.600 2.378 30 10 JEEE C=CCCCCn1c(COc2ccccc2F)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1594651060 FPCICEADDQXKSZ-UHFFFAOYSA-N 470.549 2.280 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)C 1595075236 BDPWCQIUJFUSHU-HXUWFJFHSA-N 463.604 2.468 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)c1nccs1 1595218227 IASSZZLFFGIMPF-CVEARBPZSA-N 452.606 2.050 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N1CCN(CCOC)[C@@H](CC)C1 1595517214 TVEBOMPLTOBAOC-FQEVSTJZSA-N 463.586 2.343 30 10 JEEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCCN(C(C)(C)C)CC1 1595544441 IDAACTINLNUTBJ-UHFFFAOYSA-N 481.649 2.065 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)O[C@H](c2ccsc2)C1 1595603110 XYAMCGQGWDOLDP-DUPRYPCISA-N 461.588 2.332 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1595758893 COHOYJJETGSWSV-OLMNPRSZSA-N 468.963 2.234 30 10 JEEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1595877904 CTHYJLGCRBWLEA-GOSISDBHSA-N 458.588 2.321 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2ccc(C(N)=O)cc2OCC(F)F)ccc1F 1596398679 QIGFNIACFZCDRZ-UHFFFAOYSA-N 457.430 2.285 30 10 JEEE Cc1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@H](C)[C@H](C)S(C)(=O)=O)n(C)n1 1612469207 BASRFXZNXPZJKS-SJORKVTESA-N 471.587 2.077 30 10 JEEE CCc1nn(C)c(OC)c1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCNC(=O)C(C)C 1613897571 DJMRCXCRZBBBSZ-UHFFFAOYSA-N 464.574 2.378 30 10 JEEE COCCn1c(O)c(C(=O)CN2C(=O)/C(=C\c3ccccc3)SC2=S)c(C)c(C#N)c1=O 1614800297 DSZCMCWWZQKCKI-LICLKQGHSA-N 469.544 2.465 30 10 JEEE COc1ccc(OCc2nnc(N3CCC(CC#N)CC3)n2C[C@@H]2CCS(=O)(=O)C2)cc1 1619316245 BGZFTEHAHNXXBW-SFHVURJKSA-N 459.572 2.430 30 10 JEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C(=O)OC)c2cccc(C(F)(F)F)c2)cc1 1637401258 KJBSPNGWZZMKPE-KRWDZBQOSA-N 454.426 2.261 30 10 JEEE C=CC[C@]1(C(=O)N2CCN(C(=O)C(=O)OC(C)(C)C)CC2)CCCN1C(=O)OC(C)(C)C 1644230798 WKTPDJXLTJDHNH-HSZRJFAPSA-N 451.564 2.345 30 10 JEEE CN1CCN(C(=O)CN2CCC(N(C)c3cc(Br)c(C#N)cc3F)CC2)CC1 1651495192 ABTLXMZLVFCPFO-UHFFFAOYSA-N 452.372 2.134 30 10 JEEE C[C@H]1CN(c2ccc(CNS(=O)(=O)c3cccc(Br)c3C#N)cn2)CCO1 1661368471 HVROQAUOKTYXKW-ZDUSSCGKSA-N 451.346 2.419 30 10 JEEE C=C(Br)CNC(=O)N1CC[C@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 1677678784 IFODCVISEBMRGI-MJBXVCDLSA-N 459.341 2.119 30 10 JEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1ccc(O)cc1 1689892603 IVPSDLQLDZXIDM-SFTDATJTSA-N 473.599 2.462 30 10 JEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cnn(Cc2ccccc2)c1 1689929898 GSCFVIRVRKUYAA-OAQYLSRUSA-N 452.584 2.475 30 10 JEEE C#CCN(c1nnc(CC)n1Cc1ccc(N2CCCCCC2)nc1)[C@H]1CCS(=O)(=O)C1 1689992604 MSFBCRDTHWLGHU-FQEVSTJZSA-N 456.616 2.291 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cc(Br)cn2C)nnc1N1CCNC(=O)CC1 1690239096 RFCSXLXQBDAZCG-KBXCAEBGSA-N 463.380 2.354 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N1CCC(C(=O)NCCOC)CC1 1690244994 BIYUENUZLDKRSS-HKBOAZHASA-N 461.607 2.132 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)Cc1ncc(Cl)n1C 1690723822 BOSFMYIXBQDPPY-KRWDZBQOSA-N 492.989 2.415 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1C[C@H](OC)C(C)(C)C1 1690724182 JROBIBCWSPKMKX-MOPGFXCFSA-N 462.572 2.253 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCS(=O)(=O)c1ccccc1 1705492636 UQZYAAVQVJESHC-IBGZPJMESA-N 479.610 2.384 30 10 JEEE C#CCCCn1c(Cc2csc(C)n2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1705536172 JTBHMGMXZAOQLN-QFIPXVFZSA-N 471.675 2.278 30 10 JEEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCS(=O)(=O)C(C)(C)C 1705558857 KHRMSYFMDFVXDB-IYBDPMFKSA-N 453.609 2.332 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCc1ccncc1)[C@@H]1CCS(=O)(=O)C1 1705563036 PLJBUCQOEJEHCV-HXUWFJFHSA-N 451.552 2.218 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H](C)Oc1ccccc1)[C@H]1CCS(=O)(=O)C1 1705563880 HKKPQJPLOLEIFZ-ICSRJNTNSA-N 451.552 2.434 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CC1(CCOC)CCCC1)[C@H]1CCS(=O)(=O)C1 1705570046 LYDNGMIMWHTCGG-NRFANRHFSA-N 471.627 2.488 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCc1cccc(OCC)c1)[C@@H]1CCS(=O)(=O)C1 1705572341 YBOUADRPURPYTP-TZIWHRDSSA-N 458.584 2.398 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC2(CC)CCOCC2)CC1 1705645205 NUGUETDXGLGRER-VWLOTQADSA-N 473.618 2.103 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1CCCN(c2ccccc2)C1 1705725639 LQBIFTPDJCJEDL-RTWAWAEBSA-N 474.631 2.292 30 10 JEEE C=C(Cl)Cn1c(N2CCC[C@H](N3CCCS3(=O)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1705760961 WPRVOHGOZRNJEE-PXNSSMCTSA-N 474.027 2.076 30 10 JEEE C=CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1705889303 HZHWRHBJSJTLKN-UHFFFAOYSA-N 461.592 2.339 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCN(CC(F)F)CC1 1705898259 GWSUIWMMRLPGSH-UHFFFAOYSA-N 499.360 2.406 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(C(=O)NC2CCCCC2)CC1 1705902804 JTIJOEOCSGNUOI-LJQANCHMSA-N 458.607 2.140 30 10 JEEE CCCNC(=O)c1cccc(Cn2c(CC)nnc2N2CCN(c3c(C#N)c(C)nn3C)CC2)c1 1709807992 AHYXSKJCQYAGCF-UHFFFAOYSA-N 475.601 2.269 30 10 JEEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1709842604 FAAILOUAMHHPOP-LJQANCHMSA-N 451.575 2.474 30 10 JEEE COc1ccc(C[C@H](C)Cn2c(-c3cnn(C)c3)nnc2N2CCO[C@@H](C#N)C2)cc1OC 1711788755 CUJVPQNVJQYLSG-LPHOPBHVSA-N 451.531 2.303 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1nc(C(F)(F)F)cs1 1722278055 PHOXNRMKRCRGSQ-WDEREUQCSA-N 450.512 2.064 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CC1(CCOC)CC1)[C@@H]1CCS(=O)(=O)C1 1722368033 YGMAWNFMRZCZQA-HXUWFJFHSA-N 460.575 2.451 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CCN(C)C(C)C)CC1 1722432815 FTIUBJDMLWLFCH-UHFFFAOYSA-N 456.591 2.066 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H](C)CN2CCOCC2)CC1 1722439282 WGMIMAMPZGTTCG-FQEVSTJZSA-N 457.022 2.246 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3OCC)n2C[C@H]2CCOC[C@@H]2OC)CC1 1722441279 JREWONAXZXTJBU-OFNKIYASSA-N 469.586 2.063 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCC[C@@H]2CCCCO2)CC1 1722443427 IPCZJWVZIMRUTP-OFVILXPXSA-N 473.618 2.245 30 10 JEEE C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)Nc2cccc(C)c2C)CC1 1722518538 UAABOAHOIINALM-UHFFFAOYSA-N 465.602 2.468 30 10 JEEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)C1CCN(CCn2cccn2)CC1 1722683069 CELPNDFSBUANAI-UHFFFAOYSA-N 469.615 2.332 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 1722694482 WXBQVOLNJRYNHH-PGRDOPGGSA-N 466.590 2.402 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1722702437 NTYXIWMNYQPXRM-HXUWFJFHSA-N 460.542 2.278 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1722729937 BTWLTQYBBSYFDX-LAUBAEHRSA-N 466.629 2.306 30 10 JEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CC[C@@H](c2ccccc2OC)C1 1722730160 KJUKRYYTMJQUAK-GOSISDBHSA-N 473.599 2.004 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1722752191 YJJPKXSFMBKIHO-QZTJIDSGSA-N 476.599 2.426 30 10 JEEE CC(C)N(C)CC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)CC1 1723515702 HKFCTKSQLHNRAL-UHFFFAOYSA-N 495.628 2.144 30 10 JEEE Cc1nn(C)c(N2CCN(c3nnc(C(C)C)n3CCCN3C[C@H](C)O[C@@H](C)C3)CC2)c1C#N 1725860499 CJKTYUQOAFERQW-OALUTQOASA-N 469.638 2.141 30 10 JEEE CCCn1nc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H](COC)OC)c2ccccc2c1=O 1728162244 GKZSJHYPDXCQQQ-HJPURHCSSA-N 469.521 2.168 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1cccc(C(=O)NC)c1 1740537696 GNCYVBTTXPIIEX-MRXNPFEDSA-N 479.610 2.412 30 10 JEEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC[C@@H](C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1740622438 CWKSKCAPIJKNOC-HOJAQTOUSA-N 455.584 2.050 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCc2csc(C(C)(C)C)n2)CC1 1740700670 FBHLORLDXZRRIF-UHFFFAOYSA-N 485.658 2.379 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2sc(C)nc2C)CC1 1740710509 YFRXFAHQSDWSHO-ICSRJNTNSA-N 472.615 2.090 30 10 JEEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(CC)[C@H](C)C1 1740711126 HQOBREPLSXEGJB-GOSISDBHSA-N 476.672 2.092 30 10 JEEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 1740720750 LJACLDUFWCGWCU-HSZRJFAPSA-N 462.623 2.486 30 10 JEEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCN(c2ncccn2)CC1 1740738526 IXDRVHSQDPIQIC-HNNXBMFYSA-N 452.357 2.027 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1740759380 BTZKLXSOCOWCHL-XJUOHMSHSA-N 474.650 2.144 30 10 JEEE C=CC1CCN(c2nnc(CN3CCCC3=O)n2CC2(NC(=O)OC(C)(C)C)COC2)CC1 1740841272 LIWPSNCTBUZVFF-UHFFFAOYSA-N 460.579 2.097 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1740955341 QSOJBHGIGCQWFK-LJQANCHMSA-N 462.558 2.151 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2nc(C)cs2)CC1 1740963807 XRJGVYPHOCUXJF-UHFFFAOYSA-N 478.582 2.123 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1740973280 URRCIOLWGBMZBE-DCLXLUIPSA-N 490.626 2.366 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@](C)(O)c2ccc(F)cc2)C1 1740980950 NCDWJTPXCRZJRC-ZWDAVXSWSA-N 464.563 2.008 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](CC)O[C@H](C)C1 1740994712 VFZCOEUVGDEJOV-MJGOQNOKSA-N 459.572 2.333 30 10 JEEE C[C@@H]1CN(CCCn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@](C)(C(N)=O)C2)CCCO1 1743335339 BEASALBOSQWQSG-KOSHJBKYSA-N 451.575 2.019 30 10 JEEE CCN(c1nnc(-c2cccc(C#N)c2)n1CCc1nccnc1C)[C@H]1CCS(=O)(=O)C1 1745953292 DUSWKZLWYSLBLH-IBGZPJMESA-N 451.556 2.171 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(NC(C)=O)nc1 1748671902 OAZDCDDOQLEVCG-VQIMIIECSA-N 483.573 2.446 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCc1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1748809450 SNHSUMCNADHAJE-HXUWFJFHSA-N 464.551 2.291 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1CC1(C)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1748818997 IGMZDGUXVMUUSS-LJQANCHMSA-N 460.575 2.451 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1Cc1ncc(CC)s1)[C@@H]1CCS(=O)(=O)C1 1748821170 MXWRYWGLCGWDGM-GOSISDBHSA-N 496.618 2.423 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H](C)N(C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1748823867 DHIFLFPYHAIGRO-BAGYTPMASA-N 471.627 2.277 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccc(COC)cc2)CC1 1748979249 XVWBJJFBGMESGP-RUZDIDTESA-N 453.587 2.269 30 10 JEEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ncccc2F)CC1 1749353798 BCMHJJSTXVRVCH-INIZCTEOSA-N 465.599 2.351 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCc1nc2c(s1)CCCC2 1760097977 MKJWROXBNHTOBS-HUUCEWRRSA-N 450.634 2.314 30 10 JEEE C#CCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCN(S(C)(=O)=O)CC1 1760147709 XFXRPXVJXXGYGL-UHFFFAOYSA-N 482.404 2.211 30 10 JEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(O)(Cc2cccc(C)c2)CC1 1760154909 LTLLLZCSRQJPTA-OAQYLSRUSA-N 456.612 2.476 30 10 JEEE C#CCN(c1nnc(-c2ccc(OCCC)c(OC)c2)n1Cc1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 1760185147 QMZGKMWIVPFSPE-HXUWFJFHSA-N 498.609 2.151 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)Nc1c(C)cccc1C 1760280529 GLWVAPZOEJEUOX-GOSISDBHSA-N 475.640 2.238 30 10 JEEE C=C(C)COCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1760351527 IMKWDWJPMOEBEQ-XMMPIXPASA-N 452.559 2.456 30 10 JEEE C=C(Cl)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1760378207 BXTYTVXPLUWVRJ-INIZCTEOSA-N 480.038 2.059 30 10 JEEE C=CC1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1760404588 HONYQJIBYFBZGA-HSZRJFAPSA-N 460.600 2.024 30 10 JEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(OC[C@H]2CCOC2)CC1 1760566113 LNVHICJSRVDEML-ROUUACIJSA-N 470.661 2.121 30 10 JEEE CC1CCN([C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3cc(C#N)ccn3)CC2)CC1 1762947164 CHXUYKGQXHDSJC-FQEVSTJZSA-N 479.633 2.130 30 10 JEEE N#Cc1ccccc1S(=O)(=O)N1CCN(c2ccc(NC(=O)c3ccc4c(c3)OCO4)cn2)CC1 1858452689 JGIQMQULIBREOC-UHFFFAOYSA-N 491.529 2.445 30 10 JEEE C#CCOC(=O)NS(=O)(=O)c1ccc(CNC(=O)CCCOc2ccc(OC)cc2)cc1 1858963180 ADIBRKASCSRBBO-UHFFFAOYSA-N 460.508 2.219 30 10 JEEE COCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccc(O)c([N+](=O)[O-])c1 1862610821 UZXTUDHRRJTZTN-LJQANCHMSA-N 456.407 2.296 30 10 JEEE COc1cc(NC(=O)[C@@H](CO)NC(=O)C2CCN([C@@H](C#N)c3cccs3)CC2)cc(OC)c1 1866868565 VEBFBPJAELWYST-UXHICEINSA-N 472.567 2.158 30 10 JEEE CC(C)(C)N1C[C@H](C(=O)Nc2c(C#N)nnn2Cc2cc(Cl)cc3c2OCOC3)CC1=O 1870109163 LKQYPENPHOEUDE-CYBMUJFWSA-N 458.906 2.303 30 10 JEEE Cc1cccc(C)c1Cn1nnc(C#N)c1NC(=O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1870110841 KSGOZAODUSDQHU-UHFFFAOYSA-N 473.449 2.348 30 10 JEEE COc1ccc(-n2nnc(C#N)c2NC(=O)CCN2C(=O)c3ccccc3C2=O)cc1Cl 1870144369 ZYWWTDRNKKDYTR-UHFFFAOYSA-N 450.842 2.426 30 10 JEEE CN(C)CCn1cc(OCC(=O)Nc2sc3c(c2C#N)CCC3)c(=O)cc1CN1CCCC1 1870324792 ZSOVQVPTHSYYDD-UHFFFAOYSA-N 469.611 2.445 30 10 JEEE CCCCCCCCN=c1nc(N2CCN(CCO)CC2)[nH]c(=Nc2cccc([N+](=O)[O-])c2)[nH]1 1871521246 XCKQKCUGNXYQFQ-UHFFFAOYSA-N 472.594 2.254 30 10 JEEE CC(C)N1C[C@H](c2nnc(SCC(=O)Nc3nccs3)n2/N=C/c2ccncc2)CC1=O 1874337575 JACDKBYDQFVJNX-GQLBNTDBSA-N 470.584 2.467 30 10 JEEE COc1ccc(N2C[C@@H](C(=O)N3CCC(COc4nccnc4C#N)CC3)CC2=O)cc1OC 1891536324 ZOPZWICCSKNMNK-KRWDZBQOSA-N 465.510 2.036 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N1CC[C@@](NC(=O)OC(C)(C)C)(C(=O)O)C1 2059769850 HWTDJSNEBRYFJT-QKKBWIMNSA-N 454.524 2.154 30 10 JEEE CO[C@]1(CNC(=O)OC(C)(C)C)C[C@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2180968614 RHDOMGFRVAODRY-XLOAEROZSA-N 462.356 2.034 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@](O)(CNC(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2255705619 XVKDTRWJVCBGBU-OAQYLSRUSA-N 452.382 2.149 30 10 JEEE CC(C)(C)OC(=O)N[C@H](C(=O)N1C[C@@H]2[C@H](C1)[C@@H]2B1OC(C)(C)C(C)(C)O1)[C@H](O)C(F)(F)F 2265312180 PUYNSJMTUBCYAH-NDKCEZKHSA-N 464.290 2.354 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1F 2266977284 XCWYTIDRYZUCQV-IAGOWNOFSA-N 450.316 2.147 30 10 JEEE CN(C[C@@H](O)CNC(=O)OC(C)(C)C)C(=O)c1cccc(F)c1B1OC(C)(C)C(C)(C)O1 2266987534 BJPJDUBMDRMSJN-AWEZNQCLSA-N 452.332 2.083 30 10 JEEE CS[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn1C 2267266709 FHCWYDGTLJORSN-RDJZCZTQSA-N 465.425 2.405 30 10 JEEE CCN(C[C@@H](C)NC(=O)OC(C)(C)C)S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2267377467 ISGNOJJJHREPGO-OAHLLOKOSA-N 469.413 2.305 30 10 JEEE COC(=O)CN(Cc1ccccc1)S(=O)(=O)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2267704795 BEHMPFZPZYAYLS-UHFFFAOYSA-N 459.373 2.491 30 10 JEEE CO[C@@H]1C[C@H](C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)N(C(=O)OC(C)(C)C)C1 2268636907 ILJNLFQDJOGXNI-ZIAGYGMSSA-N 467.397 2.083 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)Nc1ccc(F)c(F)c1B1OC(C)(C)C(C)(C)O1 2268721404 KUUSNSFIMBEEAA-AWEZNQCLSA-N 456.295 2.478 30 10 JEEE CC1(C)CN(Cc2ccccc2)[C@H](CNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CO1 2281923097 BLYBGVWMVJTOKB-GOSISDBHSA-N 454.380 2.118 30 10 JEEE CCc1nn(C)c(C(=O)N2CCC[C@H]2CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2281983638 XAHUOFCVLWIJBT-HNNXBMFYSA-N 462.400 2.411 30 10 JEEE Cc1nn(C)c(C(=O)N2C[C@H](NC(=O)OC(C)(C)C)C3(CC3)C2)c1B1OC(C)(C)C(C)(C)O1 2281988548 NZNUJKPVCHQAMA-HNNXBMFYSA-N 460.384 2.157 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1[C@H](CNC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C2 2281991110 WIGCUXQEKFNCFP-ZOBUZTSGSA-N 460.384 2.474 30 10 JEEE COc1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC2CN(C(=O)OC(C)(C)C)C2)cc1OC 2282011934 OTJRNFTWLVQTLK-UHFFFAOYSA-N 462.352 2.352 30 10 JEEE C[C@H]1CN(C(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)C[C@@H]1CCNC(=O)OC(C)(C)C 2282049390 YIRGHKQZCZRVNQ-HOTGVXAUSA-N 462.400 2.342 30 10 JEEE Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H](C)C1(O)CN(C(=O)OC(C)(C)C)C1 2282116383 DSOHJVIDTYVHIZ-MRXNPFEDSA-N 460.380 2.394 30 10 JEEE Cc1nc(C(=O)N2CCC[C@@](O)(CNC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2282140099 PPTNXYQBEMBFLQ-JOCHJYFZSA-N 481.424 2.243 30 10 JEEE COC[C@@]1(NC(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)CCN(C(=O)OC(C)(C)C)C1 2282519526 LVJXKTPRDYDOEF-HSZRJFAPSA-N 461.368 2.137 30 10 JEEE Cc1c(C(=O)N[C@@H]2C[C@H]3C[C@H]2CN3C(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282555458 TWKPAAOIROHOFT-ARFHVFGLSA-N 460.384 2.155 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)C1 2282578236 OXZSWWVOQYCVFM-HOTGVXAUSA-N 462.400 2.485 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)n1 2282588664 WLNVXQMSDHBVDM-HZPDHXFCSA-N 460.384 2.141 30 10 JEEE CC(C)(C)OC(=O)NCC12CC(CNC(=O)c3ccoc3B3OC(C)(C)C(C)(C)O3)(CO1)C2 2282633983 GODRUSXJNWJZGD-UHFFFAOYSA-N 462.352 2.383 30 10 JEEE C[C@H]1[C@H](NC(=O)C(F)(F)F)[C@H](C)CCN1C(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282671588 XFRFLFIDSODCFQ-DVOMOZLQSA-N 455.286 2.298 30 10 JEEE CO[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2282677859 DWLKUCCZIVWKSC-WMZOPIPTSA-N 461.368 2.135 30 10 JEEE CC(C)(C)OC(=O)N[C@@]12C[C@@H]1CN(S(=O)(=O)Cc1ccc(B3OC(C)(C)C(C)(C)O3)cc1)C2 2282843137 ITYRQHVFGCHFDY-UZUQRXQVSA-N 478.420 2.415 30 10 JEEE CC(C)(C)OC(=O)N1CC2(C1)CN(C(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1)CCO2 2288588414 OTSSENPJQQFPBQ-UHFFFAOYSA-N 458.364 2.448 30 10 JEEE C=CCn1cc(OCC(=O)NCCOC)c(=O)cc1CN1CCN(CC=Cc2ccccc2)CC1 2328573085 XTRVRUOSDYLRPS-UHFFFAOYSA-N 480.609 2.007 30 10 JEEE CN1CCN(c2ccc(-n3nnc(C#N)c3NC(=O)c3ccc(C=CC(=O)O)cc3)cc2)CC1 2332198085 GSFHXFXDKONZGW-UHFFFAOYSA-N 457.494 2.241 30 10 JEEE CC1(C)OB(c2cccc(S(=O)(=O)N[C@@H](CCO)COCc3ccccc3)c2)OC1(C)C 2343588138 IYADLVRWXAARCN-FQEVSTJZSA-N 461.389 2.232 30 10 JEEE COc1ccc(/C=N/Nc2nc(SCC(=O)Nc3nncs3)n[nH]2)cc1OCn1cccn1 20424462 CUWJQRXMKRLCER-UFWORHAWSA-N 486.543 2.075 30 10 JEEE C=CCn1c(=O)c2ccc(C(=O)NC(C)C)cc2n2c(=O)n(CC(=O)Nc3cccc(C)c3)nc12 64581521 NOIMKUINOXXJQB-UHFFFAOYSA-N 474.521 2.082 30 10 JEEE CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CCOCCO)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 103115767 URFSAAOPOWVASP-GOBJLOIFSA-N 456.451 2.424 30 10 JEEE COc1ccc([C@H]2/C(=C(/O)c3ccccc3)C(=O)C(=O)N2CCN2CCOCC2)cc1OC 109286197 IOPKYFGPDBBFST-VFJWVMJUSA-N 452.507 2.458 30 10 JEEE C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Br)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO 141136138 XNZYFPXDQDPHGR-DVTGEIKXSA-N 453.373 2.321 30 10 JEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NC[C@@H]2CCN(CCc3ccccc3)C2)CC1 489713524 XGAJGDOJYOKLTO-QFIPXVFZSA-N 481.622 2.139 30 10 JEEE COc1ccc(/C=C/C(=O)[C@@H]2CNCC[C@@H]2NC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)cc1OC 585830843 HCPOYSPACCFXLU-UICCQSROSA-N 491.544 2.065 30 10 JEEE COc1ccc(N2CCCC2=O)cc1S(=O)(=O)N1CCC[C@H](NC(=O)c2cccc(C#N)c2)C1 586074823 WFFVCROKAQUKPF-IBGZPJMESA-N 482.562 2.277 30 10 JEEE CC(/C=C/c1ccccc1)=NNc1nc(SCC(=O)N2CCN(CC(=O)NC(C)C)CC2)n[nH]1 1084388573 BUHYEUSZGCMLIM-MIYPXYKZSA-N 484.630 2.067 30 10 JEEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1 1156440516 HHKWHSFFJZXVSN-ZDUSSCGKSA-N 453.351 2.427 30 10 JEEE CN(C)[C@@H](CNC(=O)CNS(=O)(=O)c1cccc(C#N)c1)c1cccc(C(F)(F)F)c1 1161197624 CGAPBUBNXSEUQG-SFHVURJKSA-N 454.474 2.274 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1(OCCOC)CCOCC1 1286299644 XROYEHCTZSMTOH-HXUWFJFHSA-N 483.617 2.122 30 10 JEEE C#CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1286338128 GQVDWXCWTKSBJO-VWLOTQADSA-N 477.569 2.375 30 10 JEEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 1286359410 VIOJOIOEEGBRJX-OKZBNKHCSA-N 465.558 2.498 30 10 JEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCNC(=O)c1occc1C 1286370486 MJSAWVUVPHLDOW-UHFFFAOYSA-N 469.571 2.029 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CC1(OC)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1286391179 GOJKFSUARUEVJM-HXUWFJFHSA-N 457.600 2.240 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ncnn1C(C)(C)C 1286453445 AFYPNPXHGWKHDW-INIZCTEOSA-N 488.593 2.062 30 10 JEEE C#CCSCCn1c(Cc2ccsc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1286507797 LXRUJNXCTQOTQF-UHFFFAOYSA-N 458.657 2.041 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1286520191 APAFXZVGCPAWDM-GAJHUEQPSA-N 473.599 2.236 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1286558325 NITBUMYGAZTADO-SQJMNOBHSA-N 481.645 2.236 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(=O)C(C)C)CC1 1286667835 NDEYVLFFCVDMCB-QGZVFWFLSA-N 454.641 2.185 30 10 JEEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cc(F)cc(F)c2)CC1 1286693416 PDSSRUANNMILNQ-OAHLLOKOSA-N 454.547 2.459 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC(C(=O)Nc2ccc(C)cn2)CC1 1286787872 KYMMGBQCGDPLME-IBGZPJMESA-N 467.574 2.380 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCN2c3ccccc3C[C@@H]2C)C1 1286801431 YXLHOGOFCYAMNB-CMKODMSKSA-N 474.631 2.121 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@@](C)(OC)C1 1286818229 UUEZFIQBCVLNJW-JOCHJYFZSA-N 496.033 2.468 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(Cc2ccccc2)C[C@H]1C 1286825723 VYQUAXPQDGJFJE-TZIWHRDSSA-N 459.616 2.441 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1Cc1cccc(CO)c1 1292116517 CUXPNEJRIUKFAO-UHFFFAOYSA-N 488.596 2.330 30 10 JEEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1300766548 FVZHQMPBSFEYAG-SFHVURJKSA-N 487.699 2.133 30 10 JEEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc([S@](C)=O)cc1 1300830549 GYTURXGFLXLUOR-CEXHIMGSSA-N 490.449 2.171 30 10 JEEE C=CCCCn1c(COc2ccccc2F)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1301234404 KFYKNJRGBNBRQE-UHFFFAOYSA-N 458.538 2.136 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(OC)cc2)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1301592711 CYIUCGLMZBEFBT-OALUTQOASA-N 475.615 2.139 30 10 JEEE CC(C)(C)C(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC(F)F)C1 1302005144 ACHQABXIRGAIJV-KRWDZBQOSA-N 473.528 2.329 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCC(C#N)CC2)n1CCc1ccc(OCCN(C)C)cc1 1303353681 AJIOMWPNDAKDCP-UHFFFAOYSA-N 453.591 2.339 30 10 JEEE CC(C)[C@@H]1OCCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CC#N)CC1 1303833345 GYSYMIYWVGUBAR-WDSOQIARSA-N 452.625 2.470 30 10 JEEE CN(C)[C@]1(Cn2c(-c3cccc(C#N)c3)nnc2N(CCS(C)(=O)=O)C2CC2)CCSC1 1314652248 FWESTNLPLTXQHM-QFIPXVFZSA-N 474.656 2.267 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cc(OC)c(OC)c(OC)c1 1358870239 IPUFBGCHPZGEHE-OAHLLOKOSA-N 450.499 2.457 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@]1(O)CCO[C@@H]1C 1358885098 CUUBMDWZOIAJPA-OBWXTZQISA-N 450.543 2.063 30 10 JEEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1358903852 LWBQWFLZIKAPEE-GOSISDBHSA-N 483.573 2.459 30 10 JEEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1358903920 NVQTYVOVEOLXIC-UHFFFAOYSA-N 463.546 2.133 30 10 JEEE C#CCN(c1nnc(CSc2ccccc2OC)n1C[C@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1358967408 JUOQXSOGQXOMSM-VGOFRKELSA-N 478.640 2.367 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CCCN1CCCCC1=O)[C@H]1CCS(=O)(=O)C1 1358967413 KBWPOMPCSQDRPA-NRFANRHFSA-N 499.637 2.195 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2C[C@@H](C(C)C)N2CCOCC2)CC1 1359043478 VJTRWNYRLHJODU-QHCPKHFHSA-N 464.614 2.268 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H](c2ccc(C)cc2)N(C)C)CC1 1359045070 VWEZQIAWXMTHHV-GOTSBHOMSA-N 464.614 2.359 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC[C@@H](CC(N)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1359106229 ZGTVHJGTUHJACZ-FPRSRYDQSA-N 461.607 2.392 30 10 JEEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1359136116 ZXUUHOVHIJCYPR-UHFFFAOYSA-N 461.574 2.326 30 10 JEEE C=CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1359205972 PZVTZXDEKRASRN-SZPZYZBQSA-N 485.677 2.383 30 10 JEEE C=CCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1359283495 VVKFVOIBVTUBBW-KRWDZBQOSA-N 485.980 2.210 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCN([C@H](C)c2nccs2)CC1 1359333785 JXKCPDWJTFOGEM-GOSISDBHSA-N 487.655 2.204 30 10 JEEE COc1cccc(CN(C[C@@H]2CCCO2)C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)c1 1442297537 HHUCLGZRPOCSJC-UTKZUKDTSA-N 457.552 2.441 30 10 JEEE CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)COc2cccc(Br)c2C#N)cc1 1443278029 ANDOSJYFIPYZMJ-GFCCVEGCSA-N 452.330 2.485 30 10 JEEE C=CCn1c(O)nnc1S[C@H](C)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 1458998054 VSRGKSQULXDNLO-CQSZACIVSA-N 451.574 2.464 30 10 JEEE C#CCNC(=O)C1CCN(C(=O)N[C@H](c2cc(OC)c(OC)c(OC)c2)C(F)(F)F)CC1 1466237746 YSRHVLPLYMRKKJ-GOSISDBHSA-N 457.449 2.487 30 10 JEEE CCN(CCCn1c(C2CC2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1)S(C)(=O)=O 1502181909 BOXXSXKORXSZBR-UHFFFAOYSA-N 475.594 2.164 30 10 JEEE COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CN(CC(C)C)CCO2)cc1OC 1504202187 DUFVEHWGFDQPFH-VQTJNVASSA-N 470.574 2.048 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCCO3)n2CCCN2CCOCC2)c1 1507550110 FUOPPSXEWXPQNI-QFIPXVFZSA-N 466.586 2.298 30 10 JEEE C#CCN(c1nnc(C(C)C)n1Cc1ccc(NC(=O)N(C)C)cc1)[C@H]1CCS(=O)(=O)C1 1507622127 GBRMTLMXTAJNHB-IBGZPJMESA-N 458.588 2.170 30 10 JEEE C#CCN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC(=C)Cl)[C@@H]1CCS(=O)(=O)C1 1507623225 PWSQDTPMKYZVMP-QGZVFWFLSA-N 482.393 2.241 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CC1C[C@H](C)O[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1507633664 GAEKQNVSVQSJOY-BBTUJRGHSA-N 457.600 2.094 30 10 JEEE C#CCN(c1nnc(C2CCC2)n1C[C@H]1CCN(CC(F)(F)F)C1)[C@H]1CCS(=O)(=O)C1 1507633908 VMWPJQMMFWQIAN-RDJZCZTQSA-N 459.538 2.057 30 10 JEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1C[C@](C)(O)C(C)C)[C@H]1CCS(=O)(=O)C1 1507634692 LKDFOTQCPGAXNI-RDPSFJRHSA-N 474.627 2.106 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H]2CN(CC(C)C)CCO2)CC1 1507724487 QVBOKTSUNCODCY-HSZRJFAPSA-N 454.594 2.120 30 10 JEEE C#CCSCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1507755394 NQCRWZKOJVIALK-KRWDZBQOSA-N 472.640 2.187 30 10 JEEE C=CCC(C)(C)Cn1c(-c2cnccn2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1507912001 CSWMQTLTYSWUCH-UHFFFAOYSA-N 480.617 2.278 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1([S@@](C)=O)CC1 1507996028 FUJCFWCCPJDVOD-FZEVHQGJSA-N 478.640 2.293 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(Br)c3)n2CC(=O)N2CCOCC2)C1 1508112692 BOUJZJBMCCWGIU-SFHVURJKSA-N 476.375 2.348 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN(C(=O)CC2CCCCC2)CC1 1508143178 KGXCSKPZSXXCJF-UHFFFAOYSA-N 463.648 2.450 30 10 JEEE CCC(O)(CC)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1513514557 GLJCNIDGJADMLF-UHFFFAOYSA-N 474.569 2.188 30 10 JEEE CCNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CSCCS2)CC1 1516014655 APDCSGPBZHITAU-IBGZPJMESA-N 487.655 2.429 30 10 JEEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2nnc(C)s2)C[C@@H]1C 1519229171 HJLGZLHJGNLJDD-INIZCTEOSA-N 452.588 2.376 30 10 JEEE C#CCNC(=O)C1CCN(C(=O)[C@]2(NC(=O)OC(C)(C)C)CCc3c(OC)cccc32)CC1 1524476507 KVPDNLUDCBLVLP-VWLOTQADSA-N 455.555 2.349 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1cccc(Cl)c1 1539324838 XZCMENLSQYSBKS-VGOFRKELSA-N 460.987 2.204 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cccc(C#N)c1 1539617901 ZGIJSFSWBIDKFR-VDGAXYAQSA-N 458.588 2.378 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccnc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1539628433 PVFMTEWHSHXYDJ-UYAOXDASSA-N 460.604 2.182 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1540875132 CCEMMAKABLHIAD-OPAMFIHVSA-N 461.950 2.197 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)Cc1ccccn1 1540903993 JJUXNOXIZUBBDB-FQEVSTJZSA-N 455.540 2.423 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](c2ccc(F)cc2)C1 1540907403 VORBWNLYPYHHRP-OAQYLSRUSA-N 488.589 2.458 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC2CC2)C1 1541222362 DHTUEYONIPMAAC-IBGZPJMESA-N 495.584 2.358 30 10 JEEE CNC(=O)[C@@H]1CN(C(=O)c2nccn2C)CC12CCN(c1ccc(C#N)c(C(F)(F)F)c1)CC2 1548375404 KYKDTZUJQOFRIW-SFHVURJKSA-N 474.487 2.415 30 10 JEEE CCOCC(=O)N1C[C@H](C(=O)NCCOC)C2(CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)C1 1548376248 USHZDGOXBALGOI-HXUWFJFHSA-N 496.530 2.421 30 10 JEEE CN(C)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)CCCS2)CC1 1552738890 HMYDTJCOSIICAS-HSZRJFAPSA-N 453.616 2.313 30 10 JEEE CNC(=O)[C@@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCC[C@@H]2C)C1 1554404938 ALGPWLJEPGTNQS-UUOWRZLLSA-N 451.575 2.175 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1CCC[C@@H]1NC(=O)NC1=O 1587585593 CEXWZAUZZXFYPF-MNOVXSKESA-N 451.350 2.215 30 10 JEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1587879556 VVLDDHPREBKMQH-SFHVURJKSA-N 453.572 2.477 30 10 JEEE C#CCCCn1c(N2CCN(C(=O)C(=O)NC(C)C)CC2)nnc1C1(c2ccccc2)CCC1 1587893997 LVYVDKXJAXPNQO-UHFFFAOYSA-N 462.598 2.335 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CCn1cc(C)cn1)[C@@H]1CCS(=O)(=O)C1 1588040052 HSMCNMNDHYKUNE-LJQANCHMSA-N 458.975 2.430 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCN(CC)CCC)[C@@H]1CCS(=O)(=O)C1 1588045401 KASQVAWIFHGFQZ-OAQYLSRUSA-N 454.600 2.175 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCc1c(OC)cc(OC)cc1OC)[C@@H]1CCS(=O)(=O)C1 1588049273 DIXCCVPNZCREJC-QGZVFWFLSA-N 499.593 2.168 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)Sc1ccccc1 1588384933 DJFOFRQOGXXVEN-PKOBYXMFSA-N 463.629 2.251 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(c2ccccc2)CCOCC1 1588647135 RQGLAUIMVNVEFX-HXUWFJFHSA-N 472.611 2.015 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccc(Cl)nc2)CC1 1588892181 YXTOWUXJCHFMAL-XMMPIXPASA-N 487.004 2.381 30 10 JEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCCN(C(=O)CC2CCCC2)CC1 1588975721 KEMXQEFSTLBNNX-UHFFFAOYSA-N 460.648 2.402 30 10 JEEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)CCc2ccc(OC)cc2)CC1 1593625368 SJTXDYCCJVHAAX-FQEVSTJZSA-N 452.559 2.095 30 10 JEEE C=C(C)COCCn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1593735516 JFAFTDJRTVEFJT-IBGZPJMESA-N 462.620 2.349 30 10 JEEE C=C(C)COCCn1c(N2CCN(c3ncccn3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1593769473 NVYQKJZAPDFZAM-HSZRJFAPSA-N 457.579 2.028 30 10 JEEE C=C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCNS(=O)(=O)Cc2ccon2)CC1 1594070609 IIZOFYJIXCMVEG-UHFFFAOYSA-N 488.570 2.226 30 10 JEEE C=CCn1c(N2CCN(CC(=O)N[C@H](C)CC)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1595453018 ITSZXSNXJLEZQT-QRVBRYPASA-N 475.638 2.272 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 1595555887 KJAPEXFVQVNMJN-IBGZPJMESA-N 481.557 2.264 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCCCC2(F)F)C1 1595728485 BUBNCQXAHSIZSM-RCCFBDPRSA-N 489.589 2.218 30 10 JEEE COCC[C@](C)(O)Cn1c(Cc2cccnc2)nnc1N1CCN(c2ccccc2C#N)CC1 1619777945 GDVIXEYHLXBPIK-VWLOTQADSA-N 461.570 2.250 30 10 JEEE COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(Cl)cc1 1619912602 HMLRFBVVCWVTAZ-KRWDZBQOSA-N 451.980 2.443 30 10 JEEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCO[C@H]3CCN(Cc4ccccc4)C[C@@H]32)c1 1670139876 GBPPFPSONLAFHP-GOTSBHOMSA-N 455.580 2.266 30 10 JEEE C[C@H](CNC(=O)NCCn1cc(C#N)c(O)nc1=O)Sc1ccc(Br)cc1 1677105208 CRKPXNRAIBHERP-LLVKDONJSA-N 452.334 2.063 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2cccc(C)c2C)n1Cc1ccn(C)n1)[C@@H]1CCS(=O)(=O)C1 1689979442 BETDAYSWXCKFCG-PZJWPPBQSA-N 482.610 2.443 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@]1(O)CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1689982720 SMIOVRZHONQEEP-YYFZDKIDSA-N 496.431 2.214 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@H](C)Oc1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 1689988128 JULBXPBCSCIJAI-ICSRJNTNSA-N 468.583 2.081 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1Cc1ccc(OC)c(OC)c1OC)[C@H]1CCS(=O)(=O)C1 1689993164 WYRMDEIFQYZETA-SFHVURJKSA-N 476.599 2.177 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCc2cn[nH]c2)CC1 1690124362 KAIBZEFGAXKQDL-HXUWFJFHSA-N 468.606 2.114 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H](CC)N2CCCC2)CC1 1690137538 CDYXSSMATKBWMI-ATIYNZHBSA-N 486.661 2.159 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1690236331 LJYRJDXZKCEWIQ-GHTZIAJQSA-N 457.579 2.440 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](CN2CCCC[C@@H]2C)C1 1690288315 RNMPOVIVMZCDBU-HBMCJLEFSA-N 480.679 2.278 30 10 JEEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](NC(C)=O)C1 1690346698 ZWYQVTDFQLJINK-IRXDYDNUSA-N 468.986 2.444 30 10 JEEE C=C1CCN(c2nnc(CN3CCCC3=O)n2CC[C@H](N2CCOCC2)C(F)(F)F)CC1 1690381029 YJVOOFNZQSZBAU-KRWDZBQOSA-N 456.513 2.210 30 10 JEEE C=CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(c2ncc(F)cn2)CC1 1690630986 FEJJBFWDKXNZDN-UHFFFAOYSA-N 455.494 2.413 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(NC(=O)CCC)CC1 1690720903 UMJBXTKNRHQJSM-UHFFFAOYSA-N 489.598 2.160 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 1690724070 HNAWIZWQDQYKDF-SFHVURJKSA-N 493.655 2.105 30 10 JEEE COc1cc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC(=O)NCC(F)(F)F)ccc1OC(C)C 1697255548 CJZTYWROEGOLNC-OAHLLOKOSA-N 482.463 2.148 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CC[C@H](F)C2)c1 1705503702 BYUKJKOOXRAQMH-SZMVWBNQSA-N 476.578 2.083 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1cccc(NC(=O)OC)c1)[C@H]1CCS(=O)(=O)C1 1705566992 TYIULYKTJAETID-SFHVURJKSA-N 468.539 2.127 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCCCN1CCCC)[C@@H]1CCS(=O)(=O)C1 1705567102 TZSHACXQXRTQOH-YPAWHYETSA-N 477.675 2.453 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCO[C@@H]1C(C)C)[C@H]1CCS(=O)(=O)C1 1705568553 PUOCRIZYDRSGNQ-AWRGLXIESA-N 497.621 2.417 30 10 JEEE C#CCN(c1nnc(CN2CCCC2=O)n1CC(C)(C)c1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1705569081 YXLUNEZSCNZCJQ-FQEVSTJZSA-N 499.637 2.014 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCc1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1705571279 YDQJIJVZLUNABI-SFHVURJKSA-N 474.612 2.108 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H]2CCOC[C@@H]2C)CC1 1705635174 SNMZVBVMSOYIRJ-DLBZAZTESA-N 461.408 2.474 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(OCC(=O)N(C)C)c1 1705716989 ACIBNPSXKDZWCD-LJQANCHMSA-N 475.615 2.098 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccc1N1CCOCC1 1705737595 VWPVELWGRPEMEK-OAQYLSRUSA-N 489.642 2.246 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@](C)(O)c2cccc(Cl)c2)CC1 1705769298 OJLWDEFDGMZQHB-SIKLNZKXSA-N 496.033 2.329 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)CC1 1705781589 CWJFSJNKKOENMN-RTBURBONSA-N 475.590 2.066 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1705896456 NJHYDFGBZHYHQI-QWHCGFSZSA-N 470.393 2.311 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(CN2CCCCCC2)CC1 1705908781 HKMHKBMCIMOYPS-GMAHTHKFSA-N 474.650 2.397 30 10 JEEE C[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCNS(=O)(=O)Cc2ccon2)[C@H]1C 1708133556 BMOJOFXDODPPJY-IRXDYDNUSA-N 485.570 2.071 30 10 JEEE CCn1cnnc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1710196281 DVEWURGSZKSNOU-UHFFFAOYSA-N 463.546 2.391 30 10 JEEE CN(C)C(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1710980383 CBJHKBAMUOCDAJ-IBGZPJMESA-N 483.573 2.025 30 10 JEEE N#C[C@H]1CN(c2nnc(CSc3ccc(Cl)cc3)n2CC(=O)NCC(F)F)CCO1 1712885879 BGVYSGNQAVINKV-ZDUSSCGKSA-N 456.906 2.334 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@@H]1CCN(CCC)C1)[C@@H]1CCS(=O)(=O)C1 1722371490 JGFSRTNQJZONJB-DHIUTWEWSA-N 469.655 2.422 30 10 JEEE C#CCN(c1nnc(CCOc2ccccc2)n1C[C@]1(O)CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1722371838 MCPBEOIICCHBSC-CJFMBICVSA-N 486.638 2.468 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccc(Br)cc2)n1CC(=O)NCC(F)F 1722387023 QIHIHJIUGFREKA-UHFFFAOYSA-N 466.286 2.074 30 10 JEEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccccc1CN1CC[C@H](O)C1 1722404474 CAQOSPJTVCNWFW-DHLKQENFSA-N 453.587 2.005 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)N[C@@H](C)c2ccccc2)CC1 1722429579 OHEVXSDAJYDGNK-NRFANRHFSA-N 463.630 2.399 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2Cc2c(C)noc2C)CC1 1722432565 BARXHYBMWLPBAK-UHFFFAOYSA-N 458.364 2.454 30 10 JEEE C#CCSCCn1c(-c2c[nH]c3ccccc23)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1722458146 WKVYYNNPZVMHBQ-MRXNPFEDSA-N 458.613 2.311 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1cccc(OC)c1)N(C)C 1722473406 CRKFDWCCEQBHAS-XZDHIHRUSA-N 471.627 2.484 30 10 JEEE C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CCC 1722484327 HLDGFPCBBQURDD-KGLIPLIRSA-N 450.403 2.144 30 10 JEEE C=CCCOCCn1c(COc2cccc(C)c2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1722626297 CRKVRFSDQZOAGW-UHFFFAOYSA-N 468.558 2.279 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)c1cccc(Cl)c1 1722672198 MBTNYHWNXUFPAG-DENIHFKCSA-N 496.033 2.351 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCN(C(C)=O)C[C@H]1C 1722694407 UVAFTFCQHJWVJU-HZPDHXFCSA-N 456.616 2.491 30 10 JEEE C=CCOc1ccccc1Cn1c(CN2CCCC2=O)nnc1N(C)CC(=O)NC(C)(C)C 1722708559 XZGCXAPNNHYHEC-UHFFFAOYSA-N 454.575 2.365 30 10 JEEE CC(C)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1)N1CCCC1 1723109538 DLJLHPVPOOCSJE-SIKLNZKXSA-N 485.658 2.407 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccc(OC2CCCC2)nc1 1723932767 CLXIJKGWMFGTTQ-VFNWGFHPSA-N 477.566 2.095 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CC1(N2CCCC2)CCOCC1 1727198479 HKNFBCZKFTYEKF-QFIPXVFZSA-N 461.586 2.283 30 10 JEEE CCN(CC)C(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](COC)OC)CC1 1728360929 FDSHILFOXBDLQM-FQEVSTJZSA-N 455.563 2.062 30 10 JEEE COc1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@@H](C)CS(C)(=O)=O)c(OC)n1 1730153477 FHUNDAGFPKPDFZ-HNNXBMFYSA-N 470.555 2.147 30 10 JEEE CO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](N2CCOCC2)C(F)(F)F)C1 1730977104 FEZCGQIDJQOXGI-RTBURBONSA-N 480.491 2.217 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 1740619632 PXBIIADYQZSOBK-CQSZACIVSA-N 464.345 2.304 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1C[C@H]1CN(CC(C)C)CCO1 1740632631 MTLLAVGZKNQQRT-LJQANCHMSA-N 473.419 2.476 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(F)cc2Br)n1CC1(C(N)=O)CCOCC1 1740634545 FDAOIUHRTBBDPL-UHFFFAOYSA-N 474.334 2.202 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CC2=CCN(C(=O)OC(C)(C)C)CC2)CC1 1740696416 UDTODJVSBXBYGX-NRFANRHFSA-N 470.618 2.495 30 10 JEEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1740936466 VPRPWFKEWMNHKJ-QHCPKHFHSA-N 467.551 2.194 30 10 JEEE C=CCn1c(COc2ccc(OC)cc2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1740948781 FPVMLEKOQUEYCL-XMSQKQJNSA-N 454.575 2.041 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1740951647 KETZVIKYJXTHMI-ILWGZMRPSA-N 482.629 2.494 30 10 JEEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(CC)Cc1ccc(C(=O)N(C)C)cc1 1740959549 ZJFIDUKHMUCSNU-UHFFFAOYSA-N 493.568 2.036 30 10 JEEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC1(C)CC1 1747706476 DYXDFVUDNBLOFA-IBGZPJMESA-N 458.588 2.309 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCO[C@H]1CCOC1 1748869004 PYXINKPXNCCXLW-FQEVSTJZSA-N 484.626 2.205 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(OC)ccc2Br)n1CCCn1cnnn1 1748882514 VTXHWNSQZRVQEW-UHFFFAOYSA-N 469.347 2.256 30 10 JEEE COc1cccc(O[C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@](C)(C#N)C2)c1 1748964802 AIBVKJFZTOTPOD-JLHGSKIFSA-N 476.603 2.494 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCNC(=O)C2CCC2)CC1 1748999723 CXXYQJZGPCKALF-NHCUHLMSSA-N 456.635 2.258 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2Cc2ccc(-n3ccnc3C)nc2)CC1 1749014429 JNKDGGBPCYJPRA-UHFFFAOYSA-N 460.586 2.380 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(C)cc1OCCOC 1749054317 RQGJWSTWWIKQTR-FDDCHVKYSA-N 475.615 2.262 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 1749114905 JNZRUJRMMCUAMA-APWZRJJASA-N 472.550 2.344 30 10 JEEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)c1cccs1 1749228545 BDXPUOQCSKZLNE-SJORKVTESA-N 469.633 2.463 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCn2cc(Br)cn2)C1 1749711794 CMPQNEJKZUTWQM-DOTOQJQBSA-N 499.435 2.011 30 10 JEEE CC(C)OC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCCC2)CCO1 1751038914 DGNRQGUXSWZCLS-JOCHJYFZSA-N 454.575 2.455 30 10 JEEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1760129666 VEHXLGUHZQKFEN-VQTJNVASSA-N 451.575 2.276 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCN(C)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1760186215 BLRPSICVMFBOSZ-ROUUACIJSA-N 481.619 2.013 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1cccc(C(F)F)c1)[C@@H]1CCS(=O)(=O)C1 1760187300 CODLVNSYUFZTFE-GOSISDBHSA-N 460.510 2.291 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCN(c2ccccc2F)C1 1760209867 ISQSIRNVSFWPJI-OALUTQOASA-N 472.590 2.017 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2C[C@](C)(O)[C@@H](C)CC)CC1 1760268236 GJXBUGUZUDHKSB-QLXKLKPCSA-N 491.596 2.357 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2CC[C@H](C(F)F)N2CCOCC2)CC1 1760270399 WPTXPMPFHWEPQW-HXUWFJFHSA-N 478.588 2.258 30 10 JEEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)C[C@H]1CCCO1 1760275989 QEHHMVRCRAFJKG-GOSISDBHSA-N 463.629 2.177 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1760318362 NAYBRMOSWJVEDS-UYAOXDASSA-N 461.588 2.017 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1OCC 1760337114 NNASSNMRCIKMNV-HXUWFJFHSA-N 463.604 2.460 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2(N(C)C)CCCCC2)CC1 1760389372 JLMGQZIIIXETDH-IBGZPJMESA-N 466.652 2.032 30 10 JEEE C=CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1760428318 TYNMSWADYHBMNU-OALUTQOASA-N 489.621 2.499 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1760518270 OKGQACFLRRNJBW-FQEVSTJZSA-N 477.338 2.008 30 10 JEEE CC(=O)N1CC[C@@H](CN(C)c2nnc(COc3ccc(C#N)cc3)n2CCCc2nc(C)no2)C1 1760585595 CWIJCVAKIMAQDN-FQEVSTJZSA-N 478.557 2.358 30 10 JEEE Cc1ccc(SCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2CCCN2CCCO)cc1 1761873799 IAPVVUQHTFSRRS-PMACEKPBSA-N 456.616 2.454 30 10 JEEE CC[C@H](C)NC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C(=O)OC)CC1 1763943723 FTJWDDADHWPBTB-KRWDZBQOSA-N 468.558 2.423 30 10 JEEE CCC(O)(CC)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2ncccn2)CC1 1764309891 DDSZPSOPCAAXBO-UHFFFAOYSA-N 462.558 2.396 30 10 JEEE CCN(CC)CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(N(C)C)CCC2)CC1 1764983678 FLPPGAJGOYKCGR-UHFFFAOYSA-N 478.645 2.291 30 10 JEEE CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 1769338097 CLELJTCYMJRRGW-SFHVURJKSA-N 483.573 2.358 30 10 JEEE CO[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N2CCCCCC2)C[C@H]1OC 1771337422 GPKGSIGYYLQJIB-OYRHEFFESA-N 452.559 2.459 30 10 JEEE C[C@H]1CCc2c(sc(NC(=O)CN3CCN(S(=O)(=O)c4ccc(N)cc4)CC3)c2C#N)C1 1858635943 GDRHUIIMTGQADF-HNNXBMFYSA-N 473.624 2.272 30 10 JEEE COc1cc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2CCCN2CCOCC2)cc(OC)c1O 1862564709 GPZOFIBDDIZJFL-QFIPXVFZSA-N 497.548 2.292 30 10 JEEE CCCC[C@H](NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1)C(=O)N1CCN(C(C)=O)CC1 1868795222 JUTAGXSSEUJNPY-SFTDATJTSA-N 473.643 2.390 30 10 JEEE COc1cc(C(=O)NCC(=O)Nc2c(C#N)nnn2-c2cc(C)ccc2C)cc(OC)c1OC 1870140404 POUHBJPLTYIEEA-UHFFFAOYSA-N 464.482 2.150 30 10 JEEE C#CCOc1cn(Cc2ccc(S(N)(=O)=O)cc2)c(CNc2cc(OC)cc(OC)c2)cc1=O 1871008519 ZHFVLQOPCBCRJM-UHFFFAOYSA-N 483.546 2.185 30 10 JEEE CC(C)N1C(=O)CS[C@@H](C(=O)NCc2cccnc2N2CCOCC2)[C@@H]1c1ccc(C#N)cc1 1889390453 WYHLBSSUQFOHAE-XZOQPEGZSA-N 479.606 2.500 30 10 JEEE CC(C)N1C(=O)CS[C@@H](C(=O)N2CCN(c3ncccn3)CC2)[C@H]1c1ccc(C#N)cc1 1889496775 ZWBZNUVWSDLMQE-NHCUHLMSSA-N 450.568 2.091 30 10 JEEE COc1ccc(-n2nnc3c(N4CCN(C(=O)c5ccc(C#N)cc5F)CC4)ncnc32)cc1 1891125745 DPCWWNDHVROYKU-UHFFFAOYSA-N 458.457 2.192 30 10 JEEE CO[C@@H]1[C@H](OC)CN(C(=O)OC(C)(C)C)[C@H]1C(=O)NC1CC(B2OC(C)(C)C(C)(C)O2)C1 2140536360 UVANAPGPQWRCRG-SWHNLWLKSA-N 454.373 2.377 30 10 JEEE C=C(CS(=O)(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CCCO1)B1OC(C)(C)C(C)(C)O1 2255954539 AFTRTTNPHLPIHI-INIZCTEOSA-N 460.402 2.119 30 10 JEEE CC[C@H]1[C@@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)CCN1C(=O)OC(C)(C)C 2256617080 GNENHKJSXNNWIV-STQMWFEESA-N 452.386 2.233 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCC[C@@]1(C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2256620987 PCMGAMXJWCJPOF-FKIZINRSSA-N 452.386 2.281 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)C[C@H]1CCO 2267016106 YSVNBAMMZLQSOK-MRXNPFEDSA-N 450.341 2.023 30 10 JEEE CO[C@@H]1CN(C(=O)c2nc(C)sc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1NC(=O)OC(C)(C)C 2267165930 LKUTXZGRHOQHBA-UONOGXRCSA-N 467.397 2.115 30 10 JEEE CC(C)(C)OC(=O)NCCc1nc(=NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)s[nH]1 2267557539 PTXRXXBCHNCPGE-UHFFFAOYSA-N 464.353 2.172 30 10 JEEE C[C@H]1C[C@@H](NC(=O)C(F)(F)F)CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2267717920 LDOUWGBBAVACJD-WCQYABFASA-N 482.355 2.125 30 10 JEEE C[C@@H]1CCN(C(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)C[C@@H]1CNC(=O)OC(C)(C)C 2281825924 CQJZZQKHVDJPTD-CVEARBPZSA-N 462.400 2.342 30 10 JEEE Cn1nc(C(=O)N[C@H]2C[C@@H](CNC(=O)OC(C)(C)C)C2(C)C)cc1B1OC(C)(C)C(C)(C)O1 2281970187 CAVKAJBYGWFCOV-HOCLYGCPSA-N 462.400 2.389 30 10 JEEE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1N(C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282036864 OMWPQZIIHFNRFU-WBVHZDCISA-N 462.400 2.437 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1CC[C@H](NS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282302453 MPWJDXZXRWDCHJ-RDJZCZTQSA-N 481.424 2.353 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@](F)(CNS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282354151 NCFHLJDMQWNUEK-GGYDESQDSA-N 485.387 2.055 30 10 JEEE CCc1nc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2CO)c(B2OC(C)(C)C(C)(C)O2)s1 2282524015 GKKDLGSZEMWAJS-CQSZACIVSA-N 481.424 2.059 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC2(F)CC(CNC(=O)OC(C)(C)C)C2)n1 2282550252 WTLZWXDHEFWHNO-UHFFFAOYSA-N 466.363 2.092 30 10 JEEE Cc1c(C(=O)N2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282554457 DZDQDCSPPZWLLY-INIZCTEOSA-N 462.400 2.499 30 10 JEEE C[C@H]1CCN(C(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1CNC(=O)OC(C)(C)C 2282578540 SPHLOVMYRQLZCP-HOTGVXAUSA-N 462.400 2.342 30 10 JEEE CS[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 2282582486 XEEPMKRNFGRFJC-LSDHHAIUSA-N 480.440 2.108 30 10 JEEE Cc1nn(C)c(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H]3CC[C@H]32)c1B1OC(C)(C)C(C)(C)O1 2282585616 NRGSVLLQVUKAME-CVEARBPZSA-N 460.384 2.252 30 10 JEEE CC1(C)OB(c2cccnc2C(=O)NC[C@@]2(O)CCCN(Cc3ccccc3)C2)OC1(C)C 2282678495 NDCPOIWXDBDVFL-VWLOTQADSA-N 451.376 2.138 30 10 JEEE CC1(C)OB(c2csc(S(=O)(=O)N3C[C@H]4[C@@H](C3)OCCN4Cc3ccccc3)c2)OC1(C)C 2282847632 BLOGFPLJGSNYMM-VQTJNVASSA-N 490.456 2.321 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@@]2(CNC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2283057433 UMPHGNSKKREENE-IQMFZBJNSA-N 458.368 2.153 30 10 JEEE C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2cc(B3OC(C)(C)C(C)(C)O3)ccc2C1 2283970988 IAVKYORWGWGCCR-HNAYVOBHSA-N 460.380 2.145 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CCO)C(=O)NCCc1c(F)cccc1B1OC(C)(C)C(C)(C)O1 2289651527 SGCYZVWYUMMBGH-GOSISDBHSA-N 466.359 2.059 30 10 JEEE COC(=O)C[C@@H](c1ccc(OC)c(CO)c1)c1c(O)ccc2c1OC(=CN1CCOCC1)C2=O 2297592063 FPQKYSXOXHYYLK-SFHVURJKSA-N 469.490 2.337 30 10 JEEE COC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)(C)C)C2)n1N=Cc1ccccc1[N+](=O)[O-] 2327874515 BAOFOEGSDTXEFS-CQSZACIVSA-N 460.516 2.448 30 10 JEEE COC(=O)c1ccc(CSc2nnc(CNC(C)=O)n2N=Cc2ccc(C(=O)O)cc2)o1 2330752443 ORVPWRMCIYHIOX-UHFFFAOYSA-N 457.468 2.167 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2CCc3scc(B4OC(C)(C)C(C)(C)O4)c3C2)C1 2361645633 JEPPZFZDSMYHDV-HSZRJFAPSA-N 478.420 2.304 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(=NCCCN2CCN(C(=O)OC(C)(C)C)CC2)[nH]1 2362156399 LHVRDPRWIHOAEM-UHFFFAOYSA-N 460.428 2.466 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CCC1(C)C 2362356755 UCJJUDMIWIESAA-HNNXBMFYSA-N 462.400 2.485 30 10 JEEE COc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2sc3c(c2C#N)CCN(C(C)=O)C3)cc1 8927861 AENFKUFAQWPYGW-LJQANCHMSA-N 488.591 2.325 30 10 JEEE C#CCn1c(=NC(=O)CS(=O)(=O)c2ccc(OC)cc2)sc2c(OC)ccc(OC)c21 254850289 WAOWUDPPAVCNKH-UHFFFAOYSA-N 460.533 2.263 30 10 JEEE C=CCN(C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1OC)c1nc(C(=O)OCC)cs1 409816564 NQUDNYVMUKOBKJ-UHFFFAOYSA-N 495.579 2.182 30 10 JEEE C=C1C(=O)O[C@H]2C=C(C)[C@H](OC(C)=O)CC=C(COC(C)=O)C[C@H](OC(=O)/C(C)=C/CO)[C@H]12 1078025885 HPWMABTYJYZFLK-ZPZMRMPUSA-N 462.495 2.096 30 10 JEEE COC(=O)[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)c1ccccc1F 1127220397 DLURJPLTALWGMB-HXUWFJFHSA-N 459.499 2.129 30 10 JEEE C=CC[C@]1(C(=O)N2CCN(c3ncnc4c3cnn4C)CC2)CCCN1C(=O)OC(C)(C)C 1141327975 GKNIICRKODPIRC-HSZRJFAPSA-N 455.563 2.358 30 10 JEEE C#CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1286344808 JWXBJWURUXXYLW-DEOSSOPVSA-N 466.542 2.190 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CC[C@](C)(CC)O1)[C@@H]1CCS(=O)(=O)C1 1286392067 HQQFZTFAQOEPPQ-IWQHBPENSA-N 450.605 2.147 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC1(CC)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1286394251 OIAVUAMSIBIDTB-MOPGFXCFSA-N 450.605 2.353 30 10 JEEE C#CCN(c1nnc(CCN2CCN(c3ccccc3)CC2)n1C/C=C\CC)[C@@H]1CCS(=O)(=O)C1 1286394868 XJHABBYIMLIFBA-FMYVIRPXSA-N 496.681 2.236 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H]1CCCCS1(=O)=O 1286442635 HRODUPFKDQDSRI-KRWDZBQOSA-N 468.583 2.102 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@](C)(O)c2ccc(F)cc2)CC1 1286485927 COUCMGRDYWSCCQ-AREMUKBSSA-N 498.603 2.209 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccc(OC)cc3)n2CCc2nccnc2C)CC1 1286493969 KBXFNFLOQAAOHN-UHFFFAOYSA-N 487.608 2.379 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1286546856 LVIZTMUHVAEBFD-PKOBYXMFSA-N 464.592 2.023 30 10 JEEE C=CCC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1286667647 MEFXMMVBDQPNQX-UHFFFAOYSA-N 461.570 2.346 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)c2ccccn2)CC1 1286796313 JGSIYFVKBIXZCG-UHFFFAOYSA-N 489.580 2.387 30 10 JEEE CC(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2(S(C)(=O)=O)CCCC2)CC1 1286863657 FCFUSVAMMCDSLQ-UHFFFAOYSA-N 470.599 2.233 30 10 JEEE CC[C@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CC1(S(C)(=O)=O)CCCC1 1291599191 HBGIPVLYDKXDHQ-KRWDZBQOSA-N 488.662 2.389 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@H]2CCC3(C2)OCCO3)c1 1300330451 AJOSIPGLVOZESU-IBGZPJMESA-N 480.569 2.016 30 10 JEEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCCN(Cc2ccc(OC)cc2)C(=O)C1 1300371100 MYDJHLMEOYVPKS-UHFFFAOYSA-N 478.597 2.452 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCCCC1(F)F)[C@H]1CCS(=O)(=O)C1 1300480032 WZZKQXLJEMVDBH-SJORKVTESA-N 492.552 2.378 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC(C)(C)C(=O)NC 1300574452 AWMAZXWCNCOOLC-UHFFFAOYSA-N 473.581 2.471 30 10 JEEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1300766231 XSJZIPTZFYMIDB-UHFFFAOYSA-N 497.575 2.334 30 10 JEEE C=C(Br)Cn1c(N2CC[C@@H](NC(=O)NC3CC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1300861188 BKFYAKALXLNNCU-OXQOHEQNSA-N 483.411 2.268 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1300891558 ZKTRXCLTVOEYEH-WPYKKVEZSA-N 457.550 2.331 30 10 JEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2ccc(F)cc2)C1 1301258027 JLQOQPXZVDBMLH-UYAOXDASSA-N 464.563 2.490 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCC2(CC1)CNC(=O)C2 1301480885 GHZHVUFNJDWTAP-GOSISDBHSA-N 482.585 2.226 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC(NC(=O)C2CC2)CC1 1301482041 RTPAXPQQPDCJSA-MRXNPFEDSA-N 470.549 2.354 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@H](N2CCCC2=O)C1 1301588104 VVWBKOOXEWUUEY-IBGZPJMESA-N 478.018 2.324 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](Oc2ncccc2F)C1 1301588796 JMNPFRVFANUDAF-ROUUACIJSA-N 479.578 2.355 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C)c2ccccc2C1 1301592847 DWLHOKIUISOFGE-UHFFFAOYSA-N 469.615 2.197 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CCO[C@H](C(C)C)C1 1301593602 QPJNAZYKTDFNNZ-IBGZPJMESA-N 452.552 2.458 30 10 JEEE N#Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCN(CC(F)(F)F)C2)cc1 1316533130 DTBBVOUTYCTBGU-PKOBYXMFSA-N 475.475 2.342 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1c[nH]c2ccccc12 1358889550 DGJBVQYRLARKMR-DYESRHJHSA-N 470.599 2.183 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC1(O)CCCC1)[C@@H]1CCS(=O)(=O)C1 1358956311 DIBAQIJTMMFAEV-IEBWSBKVSA-N 476.574 2.489 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCS1)[C@@H]1CCS(=O)(=O)C1 1358966582 RPTRDTSGZQYXQL-QUCCMNQESA-N 471.608 2.251 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCc2ccc(F)cc2Cl)CC1 1359046873 JDWDQQCMGNDMGB-UHFFFAOYSA-N 486.979 2.402 30 10 JEEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1359052477 GOPDNYIWOBGQCQ-QFBILLFUSA-N 455.584 2.386 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(NC(=O)OC)c1 1359113281 DVXZGOMVQCZMIB-LJQANCHMSA-N 492.602 2.240 30 10 JEEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1359126930 CQEBQMDQFVUGBP-AWEZNQCLSA-N 487.424 2.099 30 10 JEEE C=CCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1359223278 GCWLPNPHHDWRLU-UGKGYDQZSA-N 489.642 2.098 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1359328726 MSOYCNTTZMREAO-IBGZPJMESA-N 474.587 2.166 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCc2c(ccnc2N(C)C)C1 1359328739 MYEWMPUDTWVAHP-UHFFFAOYSA-N 497.581 2.478 30 10 JEEE CC(C)(C)OC(=O)N1CCC(CO)(NCC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC1 1460259650 BEEBPPHMHGYEQZ-UHFFFAOYSA-N 454.531 2.034 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1CCC(=O)N[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1507630271 VYUMCXNKSFYZJC-OALUTQOASA-N 457.600 2.185 30 10 JEEE C#CCN(c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H](C)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1507633826 IXUJVKGUVVALOT-DXIQSLLYSA-N 487.626 2.148 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@]2(OCC)CCOC2)n1CCN1CCOC[C@@H]1C 1507700755 UZTNOJARIQDQLQ-CPJSRVTESA-N 471.577 2.430 30 10 JEEE C#CCN(CCOC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC1CCS(=O)(=O)CC1 1507702437 KJLKDNHYFGKZMO-KRWDZBQOSA-N 464.563 2.468 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2Cc2cnn(C)c2C)CC1 1507731242 DJHSZYOAKXXSNT-HXUWFJFHSA-N 482.633 2.238 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1507805256 OTMUQAJBJKOXJK-NFBKMPQASA-N 488.658 2.495 30 10 JEEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2cccc(Cl)c2)CC1 1507831599 BFCCFOSIYWUNRV-QGZVFWFLSA-N 463.991 2.372 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCN2CCCC[C@H]2CC)CC1 1507902016 HKCPVEDYULEMIH-NHCUHLMSSA-N 480.679 2.278 30 10 JEEE C=CCN(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1507986401 ZDOFHIDLUZQDBZ-UHFFFAOYSA-N 480.642 2.477 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(Cl)cc1 1508021461 SUVWOBWJLXHCDA-GOSISDBHSA-N 451.980 2.491 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCS(=O)(=O)CC=C)C1 1508122788 GGQCHCCDFXRRFA-PXNSSMCTSA-N 460.556 2.173 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1Cc1ncnn1C(C)(C)C 1509682437 DOBKJMBFJYRIID-UHFFFAOYSA-N 494.579 2.148 30 10 JEEE CC1(C)CCC[C@]1(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1510302118 BTWAENPOUVCWEK-QHCPKHFHSA-N 472.615 2.230 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)N1CCN(CC)CC1 1539015649 QKOSMCJXPZQCSV-HBMCJLEFSA-N 489.665 2.070 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCCO3)n2CCN2CCOC[C@H]2C)c1 1539043368 PMBAEPHXXSJEEP-KNQAVFIVSA-N 466.586 2.297 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2CCn2cc(Cl)cn2)c1 1539043818 UTYJYUPSBOBRJR-KRWDZBQOSA-N 453.934 2.388 30 10 JEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1539101640 DFFHWGVZXOBDNH-UHFFFAOYSA-N 493.655 2.012 30 10 JEEE C#CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCN1CCN(C)C(C)(C)C1 1539177006 XPILATQRNLNEIX-HXUWFJFHSA-N 473.666 2.488 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CCNc1nccc(C(F)(F)F)n1 1539315859 XAOMOQRSYXECCJ-UHFFFAOYSA-N 486.458 2.390 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(Br)cc1 1539370614 XXNNKRMWFUYIGE-SFHVURJKSA-N 496.431 2.076 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2cnn(CC(C)C)c2C)CC1 1539429863 DASWTQJMHWAHIH-VWLOTQADSA-N 469.634 2.283 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 1539626205 BSVPDRLNNNOEEF-FPOVZHCZSA-N 492.646 2.131 30 10 JEEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 1539803456 JQBLJASWAGVWLA-HNNXBMFYSA-N 469.970 2.407 30 10 JEEE C=CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(=O)NCc1ccco1)C1CC1 1540098837 JILCEQREKLQGGT-UHFFFAOYSA-N 455.540 2.413 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1540865473 IDXCYUBKHAKXQL-MRXNPFEDSA-N 482.404 2.023 30 10 JEEE CCC(O)(CC)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1546027578 DSCBHPXYCCQFQT-UHFFFAOYSA-N 460.604 2.228 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)cc1C(F)(F)F 1587641061 WXKJFTFMDUMUAH-DYVFJYSZSA-N 489.495 2.275 30 10 JEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1587857324 YMXFHTUHJAJALV-RCCFBDPRSA-N 465.620 2.333 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1[C@@H]1C[C@H]1CF)[C@@H]1CCS(=O)(=O)C1 1588034561 IMLIZBIAERZDGD-NWANDNLSSA-N 470.368 2.203 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1Cc1oc(CC)nc1C)[C@@H]1CCS(=O)(=O)C1 1588045667 OHMNMLDVEOSIAK-LJQANCHMSA-N 464.551 2.351 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1CCc1ccc(OC)cc1OC)[C@@H]1CCS(=O)(=O)C1 1588049151 AUQPKRQKKLPUSY-HXUWFJFHSA-N 481.578 2.227 30 10 JEEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1CCc1nnc2n1CCCCC2 1588445861 SWIAQQJNNHAZFO-UHFFFAOYSA-N 452.588 2.290 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1CCN(Cc2cccs2)CC1 1588646649 LLVUZPQISSUGBV-FQEVSTJZSA-N 491.683 2.240 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CC2(OCCOC)CCOCC2)CC1 1588929638 DWXAUVRKMHRNMS-UHFFFAOYSA-N 475.634 2.045 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2CC2(O)CCN(C(C)C)CC2)CC1 1588930439 WELGKQDUTWHBKT-UHFFFAOYSA-N 456.635 2.137 30 10 JEEE C=C(Br)Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1589289538 UEWRTHOVXWATBK-YOEHRIQHSA-N 469.428 2.262 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1589515434 NNKYYENLAAYVGX-LADGPHEKSA-N 477.613 2.445 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CCCS(=O)(=O)C1 1595132948 AUCVCRSRYYOQIE-QFBILLFUSA-N 461.563 2.386 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 1595797111 DTKZAIJLQFFMQR-MSOLQXFVSA-N 483.635 2.124 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1595820859 ABTRUZJKBODHNG-NRFANRHFSA-N 471.627 2.255 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccn(-c2ccc(F)cc2)n1 1611307349 BFXFBWBJMFKOMP-IRXDYDNUSA-N 471.562 2.486 30 10 JEEE CCOC(=O)[C@@H]1S/C(=N/C(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)N(C)[C@@H]1C 1613895717 JIULWLRYRVTVIP-FCHHKWKESA-N 459.615 2.030 30 10 JEEE COc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3ccc(C#N)cn3)CC2)cc1 1619268473 GNZFFFQYZABGFL-UHFFFAOYSA-N 460.542 2.066 30 10 JEEE COc1ccc(OCc2nnc(N3CC[C@](F)(C#N)C3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)cc1 1619317320 DNXWUDGIYLAKMB-BWKNWUBXSA-N 499.591 2.250 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H]2CCCCN2C(=O)CCn2cc(C#N)c(O)nc2=O)C1 1637601134 BSFJLCDOISOSGG-AEFFLSMTSA-N 459.547 2.239 30 10 JEEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C(F)F)cc1 1642048414 GTBDMPDYTPPGET-INIZCTEOSA-N 459.515 2.478 30 10 JEEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCN(c3ccc(Cl)cc3Cl)CC2)cc1 1645066230 BNUWDKMESTZQHQ-UHFFFAOYSA-N 453.351 2.492 30 10 JEEE C[C@@H]1CSCCN1c1nnc(-c2cccc(C#N)c2)n1CCS(=O)(=O)N1CCSCC1 1649562539 CUNOCEBQLFINBK-MRXNPFEDSA-N 478.669 2.137 30 10 JEEE Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)N2CCN(c3ccc(F)cc3C#N)CC2)c1 1663720081 FMXJISASPDJWBN-UHFFFAOYSA-N 451.545 2.229 30 10 JEEE C=CCN1CCC(NC(=O)N2CCCC[C@@H]2CNC(=O)CCNC(=O)OC(C)(C)C)CC1 1678692389 PZBOLUXXLBCQSW-LJQANCHMSA-N 451.612 2.232 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2Cc2cnn(CCOC)c2)c1 1689870696 XCECDFFWIYXZJU-UHFFFAOYSA-N 458.526 2.221 30 10 JEEE C#CCCCn1c(N2CCN(CC(=O)N[C@@H]3CCC[C@H](C)C3)CC2)nnc1[C@@]1(OCC)CCOC1 1689940683 AKVUOYAYCHZKDN-VVZHRXSXSA-N 486.661 2.161 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1Cc1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 1689982346 KZJZPVKGKDLILK-GCJKJVERSA-N 479.002 2.259 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCOC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1689984781 VMAOSIAGSSKEAT-SZMVWBNQSA-N 463.991 2.293 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)Nc2ccccn2)n1CCCN1CCOCC1 1690088276 HFDUUFRYRWFBHA-UHFFFAOYSA-N 477.544 2.427 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCN1CCCCC1 1690100867 FXTKPJGQGQIVBF-UHFFFAOYSA-N 463.586 2.154 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H](C)CN1CCCC1 1690101098 ODAOZMMNNUYDKV-IBGZPJMESA-N 463.586 2.010 30 10 JEEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2CCCS(C)(=O)=O)CC1 1690132188 KEUJQCARRCEORI-UHFFFAOYSA-N 473.643 2.479 30 10 JEEE C#CCN1CCN(c2nnc(CSc3ccccc3OC)n2C[C@H]2CCCCS2(=O)=O)CC1 1690135228 SFOOJYSNOOXSGQ-LJQANCHMSA-N 489.667 2.302 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3noc4c3COCC4)n2CC(O)(CCC)CCC)CC1 1690144272 SAKYOPDXSXIFHG-UHFFFAOYSA-N 484.601 2.303 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CCC(=O)Nc2ccccc2)CC1 1690148629 NMLLTQBRZTVEGS-UHFFFAOYSA-N 471.565 2.259 30 10 JEEE C#CCSCCn1c(Cc2ccccn2)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 1690177455 WGEPNKNARMEDAM-QGZVFWFLSA-N 470.624 2.475 30 10 JEEE C#CCSCCn1c(N2CCC(C(=O)NC)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1690186007 JWUNUPLJTOSWID-HDICACEKSA-N 476.647 2.378 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(CCOC)C(=O)C1 1690240029 AMVJULJOLJNVPV-UGKGYDQZSA-N 455.559 2.230 30 10 JEEE C=C(C)COCCn1c(N2CCNC(=O)[C@H]2CC)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1690320682 ZSOTXEOCHZVYQT-FGTMMUONSA-N 462.595 2.356 30 10 JEEE C=CC1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1690412548 VQSVHVUGOWILHD-OAQYLSRUSA-N 452.527 2.099 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@](C)(C(N)=O)C1 1690676370 XYJVXOWCGHPZLN-FQEVSTJZSA-N 467.357 2.168 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC(N(C)C(C)=O)CC1 1690719023 FWINFCRFCACHHG-UHFFFAOYSA-N 491.614 2.010 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@](C)(CC)C1 1690723501 UBGPOPCLBDCQPP-QHCPKHFHSA-N 470.599 2.419 30 10 JEEE C=CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1690736555 IWAGLZGHHIJABV-GOSISDBHSA-N 451.556 2.209 30 10 JEEE CC(C)(C)[S@@](=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@](F)(C#N)C1 1691325826 HDYLZUAUNDXKOL-KATKFWMUSA-N 474.610 2.441 30 10 JEEE C#CCN(c1nnc(C(C)C)n1Cc1cnn(Cc2ccccc2)c1)[C@@H]1CCS(=O)(=O)C1 1705560976 PEDWXAMJDCVGJW-OAQYLSRUSA-N 452.584 2.321 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCCN1CCCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1705565132 GOSUFLBQOHCEKE-NJYVYQBISA-N 463.648 2.411 30 10 JEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2cccc(Cl)c2)CC1 1705659622 BHUXKHYGWNPCBB-SFHVURJKSA-N 473.002 2.211 30 10 JEEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1705819370 KIMCGWNWVLIDIZ-GOSISDBHSA-N 458.563 2.484 30 10 JEEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCC(NC(=O)C(C)C)CC1 1705906369 BOMBQQNQDMOWNH-UHFFFAOYSA-N 454.575 2.209 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCC[C@@H](C(=O)NC)C2)cc1 1705908618 FWCJQGYFHLHDGU-LJQANCHMSA-N 452.559 2.090 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)NC(CC)CC)nnc2N2CCN3CCOC[C@H]3C2)cc1 1705909882 KQCZIUAARLWYQP-OAQYLSRUSA-N 468.602 2.330 30 10 JEEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2ccccc2)C1 1705939659 IYMMWJTVKARUOM-FUHWJXTLSA-N 451.618 2.385 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1C[C@H](c1ccccc1)N1CCCC1 1706863912 DECKQPYTHDEAHD-GHTZIAJQSA-N 471.631 2.465 30 10 JEEE CCC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(c3ccc(C#N)cc3F)CC2)CC1 1708875827 GGRVFSIMFJQKIE-INIZCTEOSA-N 475.594 2.416 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@](C)(O)c2cccs2)c1 1722308873 HJFLPRMGBWAXAS-UUOWRZLLSA-N 478.578 2.255 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC(=C)C)[C@@H]1CCS(=O)(=O)C1 1722359506 NRRIDYBRYYFXTQ-QGZVFWFLSA-N 460.556 2.174 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1722363819 VVNJAYVCIITCIH-GOEBONIOSA-N 452.964 2.269 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1CC(=O)Nc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1722368725 VKAYVBNLSUBWPT-SFHVURJKSA-N 461.563 2.271 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1722371852 ZCTMMNZHALSTJU-BDTNDASRSA-N 472.611 2.262 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1cc(C)no1 1722389249 GHLJSGXOEYAZPJ-UHFFFAOYSA-N 452.540 2.003 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccc(C(C)(C)O)cc2)CC1 1722440317 CJGFMBLMINVHTK-UHFFFAOYSA-N 494.640 2.438 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2nc(C)c(C)s2)CC1 1722441580 SWSWKTWHWCNPTL-UHFFFAOYSA-N 478.582 2.013 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CCC(=O)NC)CC1 1722450980 VAEIBBAZSWRIOE-UHFFFAOYSA-N 475.018 2.326 30 10 JEEE C=CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1722619986 HHUAJCMAPJVOIL-FUDKSRODSA-N 474.650 2.491 30 10 JEEE C=CCn1c(CSc2ccc(C)cc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1722689051 HAPWOTKQYNEISK-UHFFFAOYSA-N 454.600 2.336 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2nc(C)cs2)CC1 1722726272 APONVDGVAULCLA-KRWDZBQOSA-N 466.633 2.212 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 1722726433 FHMSOZZLEYGTAJ-MSOLQXFVSA-N 483.635 2.124 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccc1SC 1722729155 XEODGMIIURYBAN-KRWDZBQOSA-N 484.669 2.139 30 10 JEEE C=CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1722734851 KJVGLDUFLRKTCY-LJQANCHMSA-N 491.683 2.426 30 10 JEEE C=CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1722743815 JSVFSZBVVOOPCM-RTBURBONSA-N 492.690 2.289 30 10 JEEE CC(=O)N1CCCN(c2nnc(CCCc3ccccc3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1722775052 XALHSBOVEWVYSN-IZHYLOQSSA-N 491.596 2.038 30 10 JEEE C#CCN(c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCC=C)[C@@H]1CCS(=O)(=O)C1 1740622577 DTWRISPFVIYOMA-GOSISDBHSA-N 480.594 2.268 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccc(OC)cc2)n1CC1(S(C)(=O)=O)CCCC1 1740643604 LOKGMGGIJWHAQB-UHFFFAOYSA-N 456.568 2.296 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1[C@H](C)CCN1C(=O)OC(C)(C)C 1740671288 CULWISGNDFPVHY-KZNAEPCWSA-N 465.620 2.285 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCn1nc(C)cc1C 1740683561 AKTBYJIFKFWEKS-UHFFFAOYSA-N 474.569 2.182 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC(O)(CC)CC)CC1 1740704432 PLXSWSOEKCPCDR-UHFFFAOYSA-N 469.586 2.479 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2C[C@@H](C2CC2)N(C)C)CC1 1740707930 VOIXILXRFHUHGY-NRFANRHFSA-N 468.577 2.302 30 10 JEEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1740719867 SSUKPJSPTURMQU-HNNXBMFYSA-N 452.506 2.135 30 10 JEEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1740723941 WSFSJBBFNZYLRD-GUDVDZBRSA-N 464.657 2.190 30 10 JEEE CC(C)N(C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1741608983 AWMZPPORZAXRPR-QHCPKHFHSA-N 499.685 2.104 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCCO3)n2CC2(CS(C)(=O)=O)CC2)c1 1748693114 YGLCSAMRCXDVIM-HXUWFJFHSA-N 485.610 2.401 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CCS(=O)(=O)Cc2ccccc2)CC1 1749006825 YCYXCUQYMBLSRH-UHFFFAOYSA-N 495.605 2.427 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](O)(c2ccccc2F)C1 1749103792 DDDDBXAQDMNEJZ-KUHUBIRLSA-N 485.379 2.326 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCCC[C@@H](S(C)(=O)=O)C2)nnc1[C@@]1(OCC)CCOC1 1749141228 XOJNGLBSKWSFES-ISHFTEKXSA-N 482.647 2.315 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)c1ccccn1 1749159632 WKMDLYRJRKOMQE-SFHVURJKSA-N 462.620 2.386 30 10 JEEE C=C(C)COCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@@H](C(=O)NC)C1 1749225205 CDTBSJKWWATGMS-MRXNPFEDSA-N 451.531 2.149 30 10 JEEE COCC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1749605570 AYULIIGJDUHJBH-SIKLNZKXSA-N 461.588 2.008 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 1749658255 IULINNFJCILIJW-SFHVURJKSA-N 462.514 2.203 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 1749730619 KVGSYVVCNWHPRL-GOSISDBHSA-N 483.598 2.433 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCN(CC2CCOCC2)CC1 1749736611 MFJOMHQAHCUMOU-UHFFFAOYSA-N 487.670 2.327 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCN(C(=O)Cc3cccc(OC)c3)CC2)nnc1C(C)(C)C 1749739553 GAMOJJQZDLVVMA-UHFFFAOYSA-N 489.642 2.076 30 10 JEEE C=CCSCCn1c(Cc2cccnc2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1749762544 XTDVEHWCEOURPD-UHFFFAOYSA-N 469.659 2.318 30 10 JEEE CC(C)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCSC2)[C@@H](C)C1=O 1750836591 HULPRVFLKKYSPG-SBUREZEXSA-N 454.600 2.378 30 10 JEEE CC(C)OC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCCC2)CCO1 1751038915 DGNRQGUXSWZCLS-QFIPXVFZSA-N 454.575 2.455 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1CC1(O)CCS(=O)(=O)CC1 1760101181 KFYJHFYWPLZCJT-KRWDZBQOSA-N 453.568 2.199 30 10 JEEE C#CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1760144465 QBILCNZMTUWSNI-UHFFFAOYSA-N 460.542 2.147 30 10 JEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cccnc1-n1cccn1 1760174352 FWBJKTJVDKLFBZ-LJQANCHMSA-N 478.557 2.285 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1CC(=O)NC1CCCCC1)[C@H]1CCS(=O)(=O)C1 1760191120 AZHGEBAAAFHFBI-NRFANRHFSA-N 499.637 2.241 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CC(C)(C)CN(C)C)[C@@H]1CCS(=O)(=O)C1 1760191297 FDJDSGJSRGNSFX-HXUWFJFHSA-N 473.643 2.380 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCc1nccs1 1760247947 WAHVKHUVCMOKEF-UHFFFAOYSA-N 463.567 2.460 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC2(S(C)(=O)=O)CCC2)CC1 1760254705 HJODRQRCERFPGW-UHFFFAOYSA-N 479.553 2.269 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CCc2noc(CC)n2)CC1 1760269885 FVQIFWUXXBKTQW-UHFFFAOYSA-N 465.533 2.162 30 10 JEEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](n2cncn2)C1 1760360198 UTGYYNBEWJALNE-QGZVFWFLSA-N 456.576 2.295 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)c2nccs2)CC1 1760389309 HYLWUWWHIMOOEC-HOTGVXAUSA-N 452.606 2.028 30 10 JEEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1760433168 ANQQDPTXTVNCMX-WOJBJXKFSA-N 472.615 2.409 30 10 JEEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1 1760433356 SDCQDELEBQXBGD-NRSPTQNISA-N 458.632 2.423 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1760527973 OLHRXIVKTCNYCZ-UHFFFAOYSA-N 482.585 2.149 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)c(C)c2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1760557823 XDSNNPVWXKYXGA-HYBUGGRVSA-N 490.626 2.459 30 10 JEEE C=CCS(=O)(=O)CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCN(C)C(=O)[C@H]1C 1760558140 HGMXVNHXYCJWEB-OAHLLOKOSA-N 484.047 2.492 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCS[C@@H](C(C)C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1760558277 LANCCEASGREHIR-WIYYLYMNSA-N 472.677 2.497 30 10 JEEE C[C@@H]1CCC[C@@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1762832211 FGMQGWMGWYBIKQ-UZUQRXQVSA-N 472.615 2.228 30 10 JEEE CCCN(CC)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1764304577 FCZUABDFSLYZJI-UHFFFAOYSA-N 459.620 2.020 30 10 JEEE CCC[C@@](C)(O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1765429091 GFEFJHYJLNKMTM-XMMPIXPASA-N 475.557 2.070 30 10 JEEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCc2ccc(OCC(F)(F)F)nc2)CCOC1 1767482181 HREQJRYWSUOHFV-DYESRHJHSA-N 496.490 2.238 30 10 JEEE COC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1)OC 1770760747 DRNFUCLKDSOTAC-OAQYLSRUSA-N 462.558 2.212 30 10 JEEE C=CCN(CC=C)c1nc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)n([C@@H]2CCS(=O)(=O)C2)n1 1870004962 RLRPXZXMPDHODT-RUJXFNLJSA-N 472.527 2.376 30 10 JEEE C=CCn1cc(OCC(=O)NCCc2ccccc2)c(=O)cc1CN1CCN(C(=O)OCC)CC1 1870519228 ISCYIWFMHFMTAN-UHFFFAOYSA-N 482.581 2.046 30 10 JEEE C=CCn1cc(OCC(=O)NCc2ccccc2OC)c(=O)cc1CN1C[C@@H](C)O[C@H](C)C1 1870641096 NEXLHSCGIDTJBG-RTBURBONSA-N 455.555 2.347 30 10 JEEE C=CCN=c1nc(N2CCN(c3ccccc3OC)CC2)[nH]c(=Nc2cccc(NC(C)=O)c2)[nH]1 1871532220 PRBLLEVYPBQVFZ-UHFFFAOYSA-N 474.569 2.351 30 10 JEEE CCN(CC)CCCCNC(=O)Cc1nonc1OCC(=O)Nc1sc2c(c1C#N)CCC2 1872649822 QAIJPZBDPHUZAH-UHFFFAOYSA-N 474.587 2.290 30 10 JEEE C=CCNC1=C(c2ccc(-n3cccc3)cc2)C(=O)N(Cc2ccc(S(N)(=O)=O)cc2)C1=O 1873037427 ONICINJNUOMTJP-UHFFFAOYSA-N 462.531 2.180 30 10 JEEE COc1ccc(N2C[C@@H](c3nnc(SCC(N)=O)n3/N=C/c3ccccc3F)CC2=O)cc1 1874199832 YFZNINDVUJXSGH-OZKYXLFASA-N 468.514 2.406 30 10 JEEE CCOc1cc([N+](=O)[O-])ccc1C(=O)N1CCC(OCC#CCN2CCN(CC)CC2)CC1 1891133966 NLTXBCWEXBXEDQ-UHFFFAOYSA-N 458.559 2.256 30 10 JEEE C=C(CNC(=O)C1(C(=O)OC)CCN(C(=O)OC(C)(C)C)CC1)B1OC(C)(C)C(C)(C)O1 1892600971 SZOZHLZBKXBTIJ-UHFFFAOYSA-N 452.357 2.481 30 10 JEEE CC(C)(C)OC(=O)N1CCn2cnc(C(=O)N3CCN(Cc4ccccc4)[C@@H](C#N)C3)c2C1 1964923397 KJGSPYQIRNBDCE-IBGZPJMESA-N 450.543 2.484 30 10 JEEE C#CCC[C@@H](NC(=O)c1cc(I)cc(I)c1O)C(=O)O 2159140956 XRTIFTWOJLSZAD-SNVBAGLBSA-N 499.042 2.198 30 10 JEEE Cc1nc(C(=O)NCCOCCNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2255646108 LZLIBKHAWXNUFE-UHFFFAOYSA-N 455.386 2.022 30 10 JEEE CN(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)[C@H]1CC[C@@H]1NC(=O)OCc1ccccc1 2255653042 CYRCESBRPUWBJR-OALUTQOASA-N 468.363 2.249 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1COC[C@@H]1NC(=O)c1csc(B2OC(C)(C)C(C)(C)O2)c1 2255711531 ARDGMSWALPNKLW-CABCVRRESA-N 452.382 2.317 30 10 JEEE CC(C)(C)OC(=O)NCC1CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2255750660 NSZPJYRSTKTIPH-UHFFFAOYSA-N 452.382 2.131 30 10 JEEE CC(C)(C)OC(=O)NC[C@H](O)CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1Cl 2255784778 QTVFYARWOPSMMX-CQSZACIVSA-N 454.760 2.255 30 10 JEEE CC1(C)OB(c2ccc(S(=O)(=O)N(CC(N)=O)Cc3ccccc3)c(Cl)c2)OC1(C)C 2255797033 YSDSRRBIIUQMAQ-UHFFFAOYSA-N 464.780 2.315 30 10 JEEE Cc1csc(C(=O)NC[C@@](C)(CO)NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2255837508 QJHUMYWVIDPYTD-NRFANRHFSA-N 454.398 2.361 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]1CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2255950327 LIPKHJWOPNOBOQ-UONOGXRCSA-N 472.438 2.486 30 10 JEEE CC1(C)OB(c2cnc(C(=O)N3CCC[C@@H](NC(=O)OCc4ccccc4)C3)nc2)OC1(C)C 2264008049 BYPGRIAXFQZGHT-LJQANCHMSA-N 466.347 2.307 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1COCCN1C(=O)OC(C)(C)C 2267127316 IFURPSGVCPEDHK-AWEZNQCLSA-N 467.397 2.116 30 10 JEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2267474352 SSBYAGLQMKVHKG-KBPBESRZSA-N 487.453 2.117 30 10 JEEE C[C@@H]1CC[C@@H](CNC(=O)C(F)(F)F)N(C(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)C1 2267489512 WTEZSTPKBLMFCE-NEPJUHHUSA-N 461.315 2.362 30 10 JEEE CO[C@H]1C[C@H](CNC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)N(C(=O)OC(C)(C)C)C1 2267536764 MADCARVHWLOZTC-KGLIPLIRSA-N 467.397 2.197 30 10 JEEE CC(C)(C)OC(=O)N1CCS(=O)(=NC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)CC1 2267594266 BAMNUIMCYJICGD-UHFFFAOYSA-N 465.381 2.240 30 10 JEEE CC1(NC(=O)OC(C)(C)C)CC(NS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2267708774 PWLQSHJPZDIDPR-UHFFFAOYSA-N 487.453 2.308 30 10 JEEE N#Cc1cc(Br)ccc1NS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2270514096 MSXLKTXNPBLERX-MRXNPFEDSA-N 482.312 2.442 30 10 JEEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@@H](F)[C@@H](NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C2 2281978124 YKQXAQUCTBOWKH-TUUVXOQKSA-N 464.347 2.317 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H]2OCCN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)sn3)[C@H]2C1 2281993829 GZLNRYMMCDYDKV-HOTGVXAUSA-N 479.408 2.293 30 10 JEEE CC(C)(C)OC(=O)NC1[C@@H]2CN(S(=O)(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)c(F)c3)C[C@@H]12 2282326604 VJDKWQWLWZLOOJ-HUUCEWRRSA-N 482.383 2.269 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H]1NS(=O)(=O)c1c(F)cc(F)cc1B1OC(C)(C)C(C)(C)O1 2282504100 JSVSFOGEYRFBIN-WBMJQRKESA-N 488.362 2.456 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 2282533240 IYWDGIWTXWVZIE-CVEARBPZSA-N 460.384 2.048 30 10 JEEE Cc1nn(C)c(C(=O)N[C@H]2C[C@H]3C[C@H]2CN3C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2282559188 NQAZQHUUTWIWLA-XHSDSOJGSA-N 460.384 2.155 30 10 JEEE Cn1cc(C(=O)N[C@H]2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)c(B2OC(C)(C)C(C)(C)O2)n1 2282590246 YOXGJZODAIFNMG-ZSHCYNCHSA-N 460.384 2.095 30 10 JEEE Cn1nc(C(=O)NCC2(C)CCN(C(=O)OC(C)(C)C)CC2)cc1B1OC(C)(C)C(C)(C)O1 2282628075 LOEWGSUTKRLJFP-UHFFFAOYSA-N 462.400 2.486 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@@](CO)(NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2282665420 QBLPLONTBNLQNM-XMMPIXPASA-N 460.380 2.478 30 10 JEEE CC1(CNS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CC(NC(=O)OC(C)(C)C)C1 2282829582 GYMNPAYVTQJIBK-UHFFFAOYSA-N 481.424 2.353 30 10 JEEE CN(CC1CCN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CC1)C(=O)OC(C)(C)C 2283067834 GEUDLJNJLVOSDU-UHFFFAOYSA-N 460.384 2.495 30 10 JEEE C[C@@H]1OCCN(C(=O)OC(C)(C)C)[C@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2283929285 JKFSOQNCXZZZQE-XJKSGUPXSA-N 465.331 2.483 30 10 JEEE CN(C[C@@]1(O)CCCN(C(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)C1)C(=O)OC(C)(C)C 2286316349 PZXNKSSBEHVLMI-QHCPKHFHSA-N 464.368 2.413 30 10 JEEE Cc1nc2ccccn2c1C(O)=C1C(=O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccc([N+](=O)[O-])cc1 2296110044 DWOSYGHWAAFVEI-QFIPXVFZSA-N 491.504 2.305 30 10 JEEE Cn1ccnc1C(=O)N1C[C@@H](C(N)=O)[C@@H](C2CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)C1 2297650728 RODITYLEXOPKSU-QZTJIDSGSA-N 474.487 2.401 30 10 JEEE C=C(CS(=O)(=O)N1C[C@@H](OCC)[C@H](CNC(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2334275354 QPUSKZSYBQSVMU-IAGOWNOFSA-N 474.429 2.365 30 10 JEEE Cn1ncc(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 2359268228 ADLFZUYYEGFXTH-HYVNUMGLSA-N 460.384 2.237 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CC12CCN(C(=O)OC(C)(C)C)CC2 2362344790 WSKFMCPAEWICBF-HNNXBMFYSA-N 460.384 2.239 30 10 JEEE COc1[nH]c(=NC[C@H]2CN(C(=O)OC(C)(C)C)CCCO2)ccc1B1OC(C)(C)C(C)(C)O1 2365349046 YUYQKVMZDUPYQJ-INIZCTEOSA-N 463.384 2.249 30 10 JEEE COc1nc(OC[C@@H]2CN(C(=O)OC(C)(C)C)CCN2C)ccc1B1OC(C)(C)C(C)(C)O1 2365379726 KXPUINKMIOTVPE-INIZCTEOSA-N 463.384 2.319 30 10 JEEE CC1(C)OB(c2ccccc2CS(=O)(=O)N[C@H](CCO)COCc2ccccc2)OC1(C)C 2369622646 YRRLJZGMUKOCEM-OAQYLSRUSA-N 475.416 2.373 30 10 JEEE COc1cc(/C=N/Nc2nnc(SCC(=O)Nc3cccc(C#N)c3)[nH]2)cc([N+](=O)[O-])c1O 21084143 FQNGKNAAVHURNY-ZVBGSRNCSA-N 468.455 2.476 30 10 JEEE C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](COc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 204868565 TUIWYGNDGTXLIT-IAGOWNOFSA-N 490.410 2.306 30 10 JEEE CC1(C)[C@@H](O)CC[C@]2(C)C3=C([C@@H](O)C[C@@H]12)[C@]1(C)C(=O)C[C@H]([C@]2(C)CCC(=O)O2)[C@@]1(C)[C@H](O)C3=O 474609064 OCCKLFZPYIWUFJ-WBLDVHJPSA-N 474.594 2.492 30 10 JEEE CON[N+](=O)CC(=O)N1CCN(S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(Cl)cc1Cl 585088851 BODVFROFEULMMS-GOSISDBHSA-N 474.346 2.370 30 10 JEEE C=CCNC(=O)NC(=O)COC(=O)c1ccccc1NS(=O)(=O)c1ccc(Br)cc1 755205310 HQNKFBVGUVORCT-UHFFFAOYSA-N 496.339 2.419 30 10 JEEE CCc1nnc(CN(CC)C(=O)CSc2nnc(NN=Cc3c(O)ccc4ccccc34)n2N)o1 1084457865 PLJWNVVOCWEUDC-UHFFFAOYSA-N 495.569 2.383 30 10 JEEE COc1cc(NC(=O)CSc2nnc(NN=Cc3ccc(N(C)C)cc3)n2N)cc(OC)c1 1084600588 WSRJSJLJJSSLJA-UHFFFAOYSA-N 470.559 2.252 30 10 JEEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2nc(C)c(Cc3ccc(F)c(F)c3F)s2)C1=O 1128550332 DFALENSDNWYGPB-UHFFFAOYSA-N 452.414 2.375 30 10 JEEE C=CCn1c(S)nc2cc(C(=O)NC3(C(=O)N4CCOCC4)CCCCC3)ccc2c1=O 1180812952 GMSPNLUEQCOPDX-UHFFFAOYSA-N 456.568 2.163 30 10 JEEE C=CCN(C(=O)Nc1ccc(CC(=O)N2CCN(c3ncccn3)CC2)cc1)[C@@H](C)COC 1197439940 HTCUYIQKWJETCD-IBGZPJMESA-N 452.559 2.423 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2C[C@H]2CCOC[C@@H]2OC)c1 1286311680 PICJBWUQMGXGNG-OFNKIYASSA-N 474.565 2.372 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2C[C@@H]2CCCN2CCC)c1 1286312368 UXEBURAXWLVODJ-QFIPXVFZSA-N 477.613 2.331 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1Cc1csc(COC)n1)[C@@H]1CCS(=O)(=O)C1 1286388187 LRUVWZXGXRJNDX-LJQANCHMSA-N 482.591 2.095 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCNc1ncc(Cl)cc1Cl)[C@H]1CCS(=O)(=O)C1 1286391547 DWNGHELYCCGPCM-ZBFHGGJFSA-N 499.424 2.223 30 10 JEEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1286437593 PEDSYROBWGFUNA-PXNSSMCTSA-N 459.513 2.043 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@H](C)CNC(=O)OC(C)(C)C)CC1 1286490067 KWAIRUGLLZDVAM-GOSISDBHSA-N 481.601 2.467 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1286672852 QVUJBYYREYOJKQ-GUDVDZBRSA-N 481.663 2.150 30 10 JEEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1286674969 KOOXMGXDZZIYJD-GOSISDBHSA-N 468.606 2.400 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCOCC1)C(C)C 1286751013 KXAGSRDLWPPWGN-WOJBJXKFSA-N 451.637 2.106 30 10 JEEE CCNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCn2cc(Cl)cn2)CC1 1296324027 BZRAZUDZLCSADE-UHFFFAOYSA-N 483.964 2.130 30 10 JEEE C#CCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1300348375 JURMQRPXOHTPQC-OAQYLSRUSA-N 465.558 2.400 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1300486795 BGTHIJLICUTWEA-ZWKOTPCHSA-N 488.614 2.299 30 10 JEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1C[C@]1(O)CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1300502389 SMIDWXDNYCWUNJ-FZOAFFARSA-N 486.638 2.250 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@H](Cc1ccccc1)OC)[C@@H]1CCS(=O)(=O)C1 1300502776 XDZMVWAUMUDBKN-DHIUTWEWSA-N 496.637 2.024 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccccc2CN(C)C(C)C)CC1 1300680760 DFJBAUHYJUUETM-UHFFFAOYSA-N 463.630 2.158 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCCN(C)c2ccccc2F)CC1 1300685641 RFUUJDQLUNZBJQ-VWLOTQADSA-N 470.593 2.351 30 10 JEEE C#CCSCCn1c(COc2ccc(F)cc2)nnc1N1CCN(c2cnccn2)CC1 1300776976 PRKAFMJPEXFZHG-UHFFFAOYSA-N 453.547 2.479 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(Cc2ccc(OC)c(F)c2)CC1 1301496560 CTRMXWZEXJUDGE-UHFFFAOYSA-N 479.560 2.421 30 10 JEEE C=CCOc1ccc(Cn2c(-c3cccn3C)nnc2N2CC[C@H](S(=O)(=O)NCC)C2)cc1 1301519193 RXBNYDKFHSOMNU-FQEVSTJZSA-N 470.599 2.415 30 10 JEEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H]1[C@@H]1CCCO1 1301593309 LRLPKXITQHOVMD-IRXDYDNUSA-N 479.628 2.018 30 10 JEEE CC(=O)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@](C)(O)c2ccco2)CC1 1301703317 CYHWRDKVIPYYEQ-DEOSSOPVSA-N 464.526 2.288 30 10 JEEE C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@H](CCNC(=O)OC(C)(C)C)c3ccccc32)C1=O 1304063308 BZHYZAGFUVNUHV-HNNXBMFYSA-N 456.499 2.008 30 10 JEEE CCC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCN(CC)S(C)(=O)=O)CCO1 1306621922 GDSZXWJGEKKGKG-FQEVSTJZSA-N 460.604 2.494 30 10 JEEE C=CCS(=O)(=O)CCNS(=O)(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(C)cc1 1309338803 RKULDRNBXYGNQZ-XZOQPEGZSA-N 462.637 2.483 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 1312467655 AMEIHHISXULSLJ-QXAKKESOSA-N 452.515 2.112 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCO[C@@H]2C(C)C)c1 1358902189 GYVQMNHSMMPCMS-QMHWCDLVSA-N 464.570 2.347 30 10 JEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CCN1CCSCC1)[C@@H]1CCS(=O)(=O)C1 1358957935 DAKUZAZUMYTXKR-LJQANCHMSA-N 480.059 2.274 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2C[C@H](C)COC)CC1 1359045845 VQRGPUPQPHUIED-UWJYYQICSA-N 453.543 2.039 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1359047886 XKZLWFSMSXJNJD-QFIPXVFZSA-N 492.624 2.390 30 10 JEEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1359052997 XQXQGPVUOBYHDD-IBGZPJMESA-N 471.627 2.487 30 10 JEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1359059786 AABPOLNVSIWQKT-UHFFFAOYSA-N 469.571 2.002 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1359103756 SCLVLCCTTFXGCJ-LRQRDZAKSA-N 475.977 2.443 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1359104595 DASWUSHPFJBHNP-QTEQDKRBSA-N 474.650 2.365 30 10 JEEE C=C(C)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 1359122139 ZUWWCFOGJHHNMM-NQIIRXRSSA-N 491.614 2.244 30 10 JEEE C=CCN(CC=C)c1nnc(-c2cc(Br)c[nH]2)n1CCN1CCN(C(C)=O)CC1 1359267432 GUVHCBNQEDMPJU-UHFFFAOYSA-N 462.396 2.378 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1359294615 ZAKPAUHEGKIWJG-HXUWFJFHSA-N 458.010 2.117 30 10 JEEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCS[C@@H](C(C)C)C1 1359298481 BBSDGMIIZJCUSH-QGZVFWFLSA-N 453.572 2.474 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1359303630 VVCQAOLUARLVJP-IBGZPJMESA-N 454.604 2.358 30 10 JEEE C#CCCCNC(=O)C1CCN(c2ccc(S(=O)(=O)N(CC)CC)cc2[N+](=O)[O-])CC1 1436159148 OWMFGBDZGOVIMW-UHFFFAOYSA-N 450.561 2.371 30 10 JEEE COc1ccc(CN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)[C@H](CO)C(C)C)cc1 1466562180 GNRAFGDXIORUJN-VGOFRKELSA-N 459.568 2.279 30 10 JEEE CCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1499949043 AUKSJUYTUVBNKM-CVDCTZTESA-N 474.631 2.476 30 10 JEEE C#CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1CCOCCS(C)(=O)=O 1507607565 ZYYRHWKWUOZLNQ-UHFFFAOYSA-N 455.378 2.147 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CC1C[C@H](C)O[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1507633670 GAEKQNVSVQSJOY-WFXMLNOXSA-N 457.600 2.094 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCN1CCC(O)CC1 1507650834 VGUDWWHKQSQHDM-OAQYLSRUSA-N 484.645 2.312 30 10 JEEE C#CCN(CC#CC)c1nnc(COc2ccc(F)cc2)n1C[C@@H](C)N1CCN(CC)CC1 1507677380 YXRHYXOMTHZSMS-OAQYLSRUSA-N 452.578 2.485 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1508076588 HNCBUHARDIILSI-UHFFFAOYSA-N 462.602 2.256 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2ccc(Cl)s2)C1 1508140083 GGGVUGHDPIFVLM-UONOGXRCSA-N 486.019 2.123 30 10 JEEE CC(=O)N1CCN(CCn2c(C(C)C)nnc2N2CCN(c3ccc(C#N)cc3Cl)CC2)CC1 1508273747 CNPWOBOYEUOBMP-UHFFFAOYSA-N 485.036 2.417 30 10 JEEE C[C@@H]1OCC[C@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1512577684 HKSDSFZRDBQBER-OYRDERLMSA-N 498.584 2.087 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)Nc3ccccn3)n2C[C@@](C)(O)C2CC2)c1 1539038796 UPAOTKXHQDELAO-RUZDIDTESA-N 473.537 2.143 30 10 JEEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1539097242 GUYBQIPFJZIIGH-INIZCTEOSA-N 474.363 2.216 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CC(C)(C)OCC)[C@H]1CCS(=O)(=O)C1 1539204764 DBZIKDNEJIRYDX-HNNXBMFYSA-N 484.420 2.478 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC1(C(N)=O)CCCC1 1539301627 SWCRLCLMVFRCBS-UHFFFAOYSA-N 465.554 2.480 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](C1CC1)N(C)C 1539312059 HWHUHHZJJUBEJB-FQEVSTJZSA-N 453.616 2.041 30 10 JEEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1C[C@@H](c1cccc(C)c1)N1CCOCC1 1539376791 HGOSWOPZRXKMPT-QFIPXVFZSA-N 450.587 2.242 30 10 JEEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@H]1[C@H](C)CCN1C(=O)OC(C)(C)C 1539421762 XSRXOMZNOPSYEJ-MOPGFXCFSA-N 474.606 2.132 30 10 JEEE C#CCN(CCOC)c1nnc(Cc2ccsc2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1539421791 YHMIAELOXVDIHD-PMACEKPBSA-N 477.656 2.221 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)(C)C)n2C[C@H]2CCCN(C(C)=O)C2)n1 1539424169 MYHVRTBLDZYDLN-FQEVSTJZSA-N 455.607 2.317 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccccc3F)n2C[C@H](N2CCOCC2)C(F)(F)F)CC1 1539440780 AKIBPRVJLKRVPC-IBGZPJMESA-N 466.483 2.103 30 10 JEEE C#CCSCCn1c(COc2cccc(C)c2)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1539526943 XDJJFBPAFDHIAW-IBGZPJMESA-N 458.609 2.159 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1nc(C)c(C)s1 1539669072 KQXLZYJQLYFRFJ-KRWDZBQOSA-N 468.649 2.329 30 10 JEEE C=C(C)Cn1c(C2CCC2)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1539701508 JNXAIUAUIOENSN-ZACQAIPSSA-N 451.593 2.248 30 10 JEEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 1539742740 KOLOELJYJQWVCO-UHFFFAOYSA-N 467.549 2.302 30 10 JEEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1539900863 VODRTQXBLUXRRN-QFIPXVFZSA-N 487.693 2.348 30 10 JEEE C=CCN(CCOC)c1nnc(-c2cc(C)nc3ccccc23)n1CC(=O)N1CCOCC1 1540189139 JKYSACAKQQEPLQ-UHFFFAOYSA-N 450.543 2.299 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CC(=O)N(C)C)CC1 1540899011 AXKXNIHQUGZAQS-UHFFFAOYSA-N 470.599 2.112 30 10 JEEE C=CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1540913108 IJXUEEFGXBHGMV-SFHVURJKSA-N 491.687 2.462 30 10 JEEE C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1CCNC(=O)C(C)(C)C 1541131383 FAXZIYXKCVBEPE-DLBZAZTESA-N 490.630 2.149 30 10 JEEE Cc1ccc(SCCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@H](C)C#N)cc1 1542515808 HHNDNNKOTBPVIS-MJGOQNOKSA-N 478.644 2.308 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCN1CCCC1 1545919701 FMBRNOUOUSFJHH-UHFFFAOYSA-N 464.618 2.491 30 10 JEEE CCC[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1546835553 CNUXTWWSMPWTCE-PGRDOPGGSA-N 460.604 2.133 30 10 JEEE CCOc1ccc(O[C@H](C)c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H](C)N2CCOCC2)cc1 1547978658 HGKNIMVSRCBFKK-WOIUINJBSA-N 470.574 2.266 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC1CCS(=O)(=O)CC1 1588314371 COEXFJXDFVQZII-UHFFFAOYSA-N 482.610 2.349 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CC[C@@H](C(F)F)N1CCOCC1 1588481469 JWQQKAFWVCHSBJ-PMACEKPBSA-N 490.530 2.364 30 10 JEEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](OC)C(C)(C)C 1588628064 DLFULNMFYFPWKA-GOSISDBHSA-N 462.620 2.385 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@@H]2CC[C@H](CO)O2)CC1 1588908353 PXIIUBLRDVQRHS-RBUKOAKNSA-N 487.988 2.113 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cnn(-c3ccccc3)c2)n1CCOCCS(C)(=O)=O 1589198019 OIGWSOJIYFRLDK-HSZRJFAPSA-N 468.583 2.184 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1589485385 YYKBFRNOQARABO-AABGKKOBSA-N 458.607 2.188 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCN(C(=O)OCC)CC2)nnc1[C@]1(OCC)CCOC1 1589582197 ZKKKAGYOBNBIMW-YDHSSHFGSA-N 463.579 2.190 30 10 JEEE C=CC[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1CCOC1)c1ccccc1 1594545190 RHZAQNJFZWCVHH-QHAWAJNXSA-N 475.615 2.196 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(CN2CCC(O)CC2)cc1 1595212350 OMJXLDKHSGJNHX-JOCHJYFZSA-N 450.587 2.413 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1595798250 ODOJWAFOORAPEQ-UHFFFAOYSA-N 453.506 2.169 30 10 JEEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1CCC(CC(=O)N2CCN(CC)CC2)CC1 1595884794 SXNXZBOQPISUDW-OAQYLSRUSA-N 476.691 2.472 30 10 JEEE CSC1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(C(N)=O)CC2)CCN(C)CC1 1620220102 GNVPRDBOESCUMD-UHFFFAOYSA-N 453.616 2.346 30 10 JEEE CC(C)(C)OC(=O)NCC(=O)N1CCC[C@@H](CN2CCN(Cc3ccccc3)[C@@H](C#N)C2)C1 1621218308 BKQBZPHVXIBLGS-VXKWHMMOSA-N 455.603 2.460 30 10 JEEE COC(=O)c1cc(NC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc(C(=O)OC)c1 1622916385 CCKZPLAOBKDQRO-IBGZPJMESA-N 450.451 2.449 30 10 JEEE C#CCNS(=O)(=O)c1ccc(C(=O)N(Cc2ccc(O)cc2)C[C@H]2CCCN2CC)cc1 1630850696 CHVUSHJWYPIGNS-OAQYLSRUSA-N 455.580 2.430 30 10 JEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](CC(=O)OCC)c2ccc(F)cc2F)c1 1638475165 BGQFAUWSBYWEPN-IBGZPJMESA-N 450.463 2.301 30 10 JEEE C=CCN(C(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)OC)C2)cc1)[C@H](C)COC 1672849766 WMHUYZHQWLTKAI-IAGOWNOFSA-N 453.561 2.315 30 10 JEEE C#CCN(c1nnc(C)n1Cc1cc(Br)ccc1OC)[C@H]1CCS(=O)(=O)C1 1689979456 BNVCPDIGSVFCDW-INIZCTEOSA-N 453.362 2.033 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1Cc1ncccc1C)[C@@H]1CCS(=O)(=O)C1 1689991918 DSBKSVLNDGUAMW-HXUWFJFHSA-N 453.543 2.386 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCN(C)c2ccccc2F)CC1 1690110611 UADBYCSUMZHNOQ-UHFFFAOYSA-N 476.560 2.346 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2C[C@@H](C)O[C@H](C)C2)CC1 1690115262 YWLTZDZEONJWAX-RTBURBONSA-N 471.627 2.307 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCCCN2CCCC[C@@H]2C)CC1 1690135398 VUVCVPSRPYETOU-NRFANRHFSA-N 483.661 2.135 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@](C)(O)c2ccc(F)cc2)CC1 1690142926 YJARFUHWNDISQP-DEOSSOPVSA-N 450.518 2.286 30 10 JEEE C=C(C)COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1690302413 DMRDDSOAKMDCMA-CVDCTZTESA-N 497.600 2.435 30 10 JEEE C=CCC(C)(C)Cn1c(N2CCC3(CC2)NC(=O)N(C)C3=O)nnc1[C@@]1(OC(C)C)CCOC1 1690439922 SMDBCZVLQUQVCL-XMMPIXPASA-N 474.606 2.442 30 10 JEEE C=CCCCCn1c(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)nnc1[C@]1(OCC)CCOC1 1690468372 ZWVWGOPFENSTFB-RDPSFJRHSA-N 460.623 2.029 30 10 JEEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](Cc2ccc(C#N)cc2)C1 1690675031 NZCZQBXBFVTPCD-NRFANRHFSA-N 461.570 2.033 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)CC2CCCCC2)CC1 1690724955 ZKCAOMIHAXPFRQ-OAQYLSRUSA-N 493.674 2.392 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1(C(=O)N(C)C)CCCC1 1691001094 CGWGMLCSCWFZQA-KRWDZBQOSA-N 486.646 2.483 30 10 JEEE CC(C)(C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1691204285 HHMRCFLALMBMBW-LJQANCHMSA-N 464.574 2.162 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@H]1CCN(S(C)(=O)=O)C1 1692660084 BSYNTKDMRKQSKN-IRXDYDNUSA-N 455.588 2.370 30 10 JEEE CCCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)cc1 1695455055 BWNBHFDNNZJDLW-YWZLYKJASA-N 450.540 2.167 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1705485432 JGVOIOZAMNBTIG-DLBZAZTESA-N 461.588 2.092 30 10 JEEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccccc1C)[C@@H]1CCS(=O)(=O)C1 1705560396 GQHDCFIPNPPERE-ZJSXRUAMSA-N 472.611 2.302 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1CCOC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1705561480 QNDYJTRREQFVPG-INIZCTEOSA-N 498.447 2.488 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccc(C)cc1SC)[C@H]1CCS(=O)(=O)C1 1705565766 JZVFKLHRTZNVQD-OALUTQOASA-N 460.625 2.487 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@@H](OC)C(C)C)[C@H]1CCS(=O)(=O)C1 1705568223 JOCLHCOROJXTLY-PZJWPPBQSA-N 460.600 2.463 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1CCN1CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1705569625 FGYOSSVWRPGCPU-IRLDBZIGSA-N 455.628 2.288 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CC[C@@H](C)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 1705570138 NCKHUPMPEIFDPB-IRLDBZIGSA-N 470.643 2.155 30 10 JEEE C#CCN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1Cc1nnc2n1CCC2 1705612737 OBQKYEGIFVMMPG-UHFFFAOYSA-N 454.579 2.438 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccc(C)cc1)N1CCOCC1 1705613227 XMTKJIDWPUEESP-VXKWHMMOSA-N 471.627 2.022 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1705700353 SCQLLZIPOPHWHS-WIYYLYMNSA-N 474.631 2.490 30 10 JEEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCN1CCOCC1 1705754945 IMWAVVUCXPWCBY-KRWDZBQOSA-N 471.002 2.107 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(CC)s2)CC1 1705769320 OYBNXKNSKYKFOC-SFHVURJKSA-N 451.618 2.440 30 10 JEEE C=CCCOCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1705826771 JEZKRGNAMNIZGD-HXUWFJFHSA-N 470.530 2.274 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Br)nnc1N1CCO[C@]2(CCOC2)C1 1705933116 UUZXQDRMGPVMMG-HXUWFJFHSA-N 497.415 2.304 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2ccc(Cl)cc2)C1 1705934516 ONASYDDLEYFGPD-QZTJIDSGSA-N 479.990 2.061 30 10 JEEE C=CCSCCn1c([C@@H]2CCCCO2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1705945980 WOKUQGGNYNERHK-JBACZVJFSA-N 462.664 2.428 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1CCCCS1(=O)=O 1706159090 ATHSSMQWDIRMBM-BZSNNMDCSA-N 494.618 2.046 30 10 JEEE CCN(CCS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCOC[C@H]1C 1710170410 AAHLQZQMOFVJQR-IEBWSBKVSA-N 461.588 2.272 30 10 JEEE CCN(CCS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCOC[C@H]1C 1710170411 AAHLQZQMOFVJQR-MJGOQNOKSA-N 461.588 2.272 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2CCCO[C@H]2CCOC2)c1 1722309205 KWWWKLGKHRLPMA-UNMCSNQZSA-N 467.570 2.424 30 10 JEEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1722337506 CDMXLJWLLFLWLS-IBGZPJMESA-N 457.579 2.283 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1(OC)CCCC1)[C@H]1CCS(=O)(=O)C1 1722360320 SWBDUKYJASQFNM-IBGZPJMESA-N 473.555 2.439 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H]1CCCCS1(=O)=O 1722392147 IILWCRPGIWSIPX-IBGZPJMESA-N 456.568 2.393 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2CCc2nccc(C(F)(F)F)n2)CC1 1722438305 PQPCLQYBHWXBAM-UHFFFAOYSA-N 456.476 2.455 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2CCCN2CCC(O)CC2)CC1 1722445854 YYALIMCQSUIMIN-UHFFFAOYSA-N 464.614 2.066 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CCc2nnc(C)s2)CC1 1722448361 APHMKKUEVAFAHC-UHFFFAOYSA-N 470.628 2.002 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2C[C@]2(O)CCC[C@@H]2C)CC1 1722449722 OQWVHYOINKIPIV-RXFWQSSRSA-N 465.598 2.417 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1CCCN1C[C@H](C)O[C@H](C)C1 1722466395 SXCHCCDHBBKOQX-YDIMBITNSA-N 451.575 2.417 30 10 JEEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1722606544 BMLDPMDLOLSWCN-LJQANCHMSA-N 481.644 2.175 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(F)c(F)c1F 1722672145 KXJOQJZLZLJJHZ-QGZVFWFLSA-N 485.532 2.449 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCc2nn(C)c(=O)cc2C1 1722701703 ALLNWALNMJQNIA-UHFFFAOYSA-N 491.596 2.248 30 10 JEEE C=CCNC(=O)Cn1c(N2CCO[C@H](c3ccccc3Cl)C2)nnc1[C@]1(OCC)CCOC1 1722703772 HKYGPEHGDLAFBO-CVDCTZTESA-N 475.977 2.464 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1722729291 IJLBNQUCPUSUMZ-KRWDZBQOSA-N 473.521 2.412 30 10 JEEE CC(C)CCN(CCC#N)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@]1(O)CCN(C)C1 1723419593 FEQFATQVTSSZBB-XMMPIXPASA-N 464.574 2.427 30 10 JEEE C[C@H](CN(C)c1nnc(-c2ccc(C#N)cc2)n1CC(=O)N1CCOCC1)c1nccs1 1723804718 CPSOQCVNPAGVCG-MRXNPFEDSA-N 451.556 2.372 30 10 JEEE CCOCc1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1C[C@H]1CCCN1S(C)(=O)=O 1728998046 HWKBTIUXXRQMOB-OAQYLSRUSA-N 470.599 2.404 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1CCN(C(=O)OC)CC1 1740545572 BASBZASVQVEELV-INIZCTEOSA-N 473.603 2.175 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1CCOCCC(C)C)[C@@H]1CCS(=O)(=O)C1 1740619894 MJXNACXGYARWKR-LJQANCHMSA-N 474.583 2.363 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1CCN1CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1740620933 IHGHULQGDVYHJA-UXHICEINSA-N 471.627 2.312 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCCNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1740627103 OHOOEICQFITGJH-QZTJIDSGSA-N 481.619 2.061 30 10 JEEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCOC[C@H]1CCOC1 1740671860 QCVLYXJNHYVLBH-WOJBJXKFSA-N 477.606 2.489 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CC1(S(C)(=O)=O)CCCC1 1740676359 APXXYJKLQATEHA-IBGZPJMESA-N 473.574 2.366 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(C)nc4ccccc34)n2CCCN(CC)S(C)(=O)=O)CC1 1740691858 APGNLZQTQUNDGQ-UHFFFAOYSA-N 495.653 2.229 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCO[C@H](C)c2ccccc2)CC1 1740705011 AKYZTTZVDOWYQM-DENIHFKCSA-N 478.597 2.363 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](CC)Oc2cccc(F)c2)CC1 1740705890 NSRKOEJGLZIQGR-PZJWPPBQSA-N 482.560 2.192 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc([S@@](C)=O)cc1 1740751154 HYOWVZCRWOIUBA-IAIHEXLDSA-N 495.671 2.243 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1740753928 AUTOBQGOIBYROB-WIYYLYMNSA-N 474.009 2.185 30 10 JEEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](CN2CCOCC2)C1 1740823130 YDADAVUOWZFOMV-MOPGFXCFSA-N 497.040 2.498 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c(-c2cnccn2)nnc1N1CCN2C(=O)CC[C@@H]2C1)C(C)C 1740925208 AGPWZNUHHWNNPE-TZIWHRDSSA-N 450.591 2.245 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](c1c(F)cccc1F)N(C)C 1741123891 BPSBOUAPBPFWSQ-JKIFEVAISA-N 469.562 2.065 30 10 JEEE CC(C)Cc1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1CCS(C)(=O)=O 1741474050 CGTBFXWCTXMAGK-UHFFFAOYSA-N 450.996 2.373 30 10 JEEE CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1745893763 CJQBWLYJCJCXQW-MRXNPFEDSA-N 479.507 2.280 30 10 JEEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1748734520 FSZKECKMCOEXJY-UHFFFAOYSA-N 496.612 2.129 30 10 JEEE C#CCN(C)c1nnc(CCc2ccc(OC)cc2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1748794972 RWXOHGWXAHAKAR-UNMCSNQZSA-N 471.627 2.346 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccnc(SCC)c2)CC1 1748977759 BXJAQZRMYRXTHY-QHCPKHFHSA-N 456.616 2.241 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2CCCCS2)CC1 1748979509 CMXAVBSEKIPKOP-IBGZPJMESA-N 459.641 2.390 30 10 JEEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H](C)CN2CCN(CC)CC2)CC1 1748992817 HBMRKWJPQWIYCQ-OAQYLSRUSA-N 485.627 2.176 30 10 JEEE C#CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@H]1CCOC1 1749038608 UULAUKLKNJUKNX-QZTJIDSGSA-N 465.620 2.426 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCCN(S(C)(=O)=O)CC1 1749127112 JUACDIXLONEOPR-UYAOXDASSA-N 460.604 2.101 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2OC)nnc1N1CCN(C(=O)NC)CC1 1749139411 FATXZKVPVDRJRK-GCJKJVERSA-N 470.574 2.308 30 10 JEEE C=C1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H]2CCS(=O)(=O)C2)CC1 1749304079 UMHWKLLTYMTYDJ-MSOLQXFVSA-N 481.619 2.178 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1749354445 QDXGLSCSRAGQGQ-CVEARBPZSA-N 480.639 2.065 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(CCN2[C@@H](C)CC[C@@H]2C)CC1 1749731383 CHMXPSIHACSDSI-PMACEKPBSA-N 464.680 2.141 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1749732557 YWXYYUPMMZBSML-QRVBRYPASA-N 497.662 2.201 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H]1CC(=O)N(CCOC)C1 1760096942 XGJJARAIVQYVQQ-OALUTQOASA-N 452.559 2.100 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ncnn1C(C)(C)C 1760117761 SVFDHAYZJTZFJG-IRXDYDNUSA-N 472.594 2.439 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2C[C@](C)(O)c2ccsc2)c1 1760128078 XRXUNWICPDTVJC-VWLOTQADSA-N 492.605 2.426 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1CCN1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1760190717 UTHMHWUTDFRLMA-QFIPXVFZSA-N 485.654 2.236 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@](C)(O)[C@H](C)CC)CC1 1760252971 ZNXIZHUPSZMNOR-HOYKHHGWSA-N 473.021 2.414 30 10 JEEE C#CCN1CCN(c2nnc(CCN3CCN(c4ccccc4)CC3)n2CC(=C)Br)CC1 1760261074 JTHQIIWNSWZLQE-UHFFFAOYSA-N 498.473 2.307 30 10 JEEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1760284393 LMWFRGHKMOGIBX-UHFFFAOYSA-N 450.616 2.076 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(CCOC)C(=O)C1 1760324898 MUYVJXIKGYSAQU-AUSIDOKSSA-N 457.550 2.284 30 10 JEEE C=CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](N2CCCC2=O)C1)c1ccccc1 1760418332 QRUCNJOGZGNQJA-TYPHKJRUSA-N 486.642 2.449 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c(-c2noc3c2COCC3)nnc1N1CCNC(=O)CC1)C(C)C 1760489011 ALLMNSUITUSFJX-IBGZPJMESA-N 469.590 2.031 30 10 JEEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 1760527207 OXBPQIRJJHJZOS-QHCPKHFHSA-N 487.004 2.306 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1760557121 APTFUINGPQUEIC-OAQYLSRUSA-N 486.598 2.078 30 10 JEEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1760559040 BLCUTWJPPYLZJP-LBPRGKRZSA-N 479.554 2.043 30 10 JEEE CC(C)(C)Cc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CCS(C)(=O)=O 1760757748 GCCNVFYLOQNOLM-UHFFFAOYSA-N 458.632 2.495 30 10 JEEE C[C@@H]1OCC[C@@]1(O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@](F)(C#N)C1 1763273638 GWZVGQBYISAWJU-WWLNLUSPSA-N 464.542 2.332 30 10 JEEE COCCN(Cc1ccc(C)o1)c1nnc(-c2cccc(C#N)c2)n1CCN1CCCS1(=O)=O 1771100789 BHTUDDUKVPKPMR-UHFFFAOYSA-N 484.582 2.407 30 10 JEEE C=C(C)Cn1nc(C)c(CCC(=O)NCCNC(=O)[C@H]2CC(=O)N(c3cccc(OC)c3)C2)c1C 1860322721 CDJVBVSLKHJIDV-FQEVSTJZSA-N 481.597 2.303 30 10 JEEE O=C(O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCN2CCOCC2)cc1 1862608115 HBXMDVYIDGEUIM-QFIPXVFZSA-N 494.500 2.067 30 10 JEEE COc1ccc([C@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2CCCNC=O)cc1O 1862737302 FXUPWDURARAAEI-IBGZPJMESA-N 455.423 2.023 30 10 JEEE CN(C)CCCN1C(=O)c2ccc(C(=O)NC(C)(C)C(=O)Nc3cccc(C#N)c3)cc2C1=O 1866611249 QZRRVTWTJWCKAA-UHFFFAOYSA-N 461.522 2.253 30 10 JEEE CCOc1cc(/C=N/n2c(SCC(N)=O)nnc2[C@H]2CC(=O)N(Cc3ccccc3)C2)ccc1O 1874210294 PMQXTCGSCIJWSD-XIMCHAMWSA-N 494.577 2.358 30 10 JEEE CCCNC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1ccccc1[N+](=O)[O-] 1874338152 NTCRRPUYQFZISC-IMQYADFFSA-N 473.559 2.411 30 10 JEEE CC(C)N1C(=O)CS[C@H](C(=O)NCc2cccnc2N2CCOCC2)[C@H]1c1ccc(C#N)cc1 1889390452 WYHLBSSUQFOHAE-PKTZIBPZSA-N 479.606 2.500 30 10 JEEE O=C(NCC#CCN1CCc2ccccc2C1)[C@H]1CCCN1S(=O)(=O)c1cccc(F)c1 1891414151 GVAJSUCEWHZVRV-HSZRJFAPSA-N 455.555 2.157 30 10 JEEE N#Cc1nccnc1O[C@H]1CCCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccc(Cl)c2)C1 1892008811 QXTVYFXFFUOBSD-QFBILLFUSA-N 475.958 2.225 30 10 JEEE CN[C@](C#N)(Cn1cnc(I)c1I)C1CCC1 2026501415 YSGOUBLPFQUTMF-LLVKDONJSA-N 456.069 2.374 30 10 JEEE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@H](CNS(=O)(=O)c2cccnc2C#N)C1 2140605943 FATWHJWSXNUYTK-LJQANCHMSA-N 471.583 2.353 30 10 JEEE CC1(C)OB(c2ccc(O)c(C(=O)N3CC(NC(=O)OCc4ccccc4)C3)c2)OC1(C)C 2248032734 NOSWMSFMLGFMCT-UHFFFAOYSA-N 452.316 2.442 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2255540358 MAFWQFWLKJGPJZ-CJNGLKHVSA-N 452.382 2.005 30 10 JEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N(C)C[C@@H](O)CNC(=O)OC(C)(C)C 2255829188 KPGAJAOLPTYNPJ-AWEZNQCLSA-N 454.398 2.313 30 10 JEEE CC(C)(C)OC(=O)N[C@]1(C)CCC[C@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2256673878 GYLKLRRAIUDYHX-FKIZINRSSA-N 452.386 2.281 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(F)c2B2OC(C)(C)C(C)(C)O2)[C@H](CO)C1 2281786520 GHBHAUTYVXXSCS-HNNXBMFYSA-N 464.343 2.179 30 10 JEEE CCC1(CNC(=O)c2nn(C)c(B3OC(C)(C)C(C)(C)O3)c2C)CN(C(=O)OC(C)(C)C)C1 2281799595 XUFLOZDZVOMBFM-UHFFFAOYSA-N 462.400 2.405 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@]2(CCN(C(=O)c3coc(B4OC(C)(C)C(C)(C)O4)c3)C2)C1 2281832653 QJDWMAAZFXQEBR-HSZRJFAPSA-N 462.352 2.431 30 10 JEEE C[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282035058 PUAXGKPFQPRXKM-HZPDHXFCSA-N 462.400 2.485 30 10 JEEE C[C@@H]1C[C@H](NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CCN(C(=O)OC(C)(C)C)C1 2282044958 SUSDNVGXLVDEPH-HZPDHXFCSA-N 462.400 2.485 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)c3ncc(B4OC(C)(C)C(C)(C)O4)cc3F)C[C@H]2C1 2282045202 UUGKEPXSGAMPOS-GJZGRUSLSA-N 461.343 2.459 30 10 JEEE Cn1cc(C(=O)N2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@]3(C)C2)nc1B1OC(C)(C)C(C)(C)O1 2282062686 BUAVAKKEARTXAV-CMJOXMDJSA-N 460.384 2.048 30 10 JEEE C[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2CN1C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2282188097 QYFZMQNHLYHIBY-OWCLPIDISA-N 458.368 2.103 30 10 JEEE CC(C)(C)OC(=O)NC[C@@]12CN(C(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)o3)C[C@@H]1CCO2 2282200718 OIZRIQCZQROXHP-NPMXOYFQSA-N 462.352 2.335 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2C(NS(=O)(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)cc3F)[C@@H]2C1 2282324888 WKULURBBHVXSBS-HUUCEWRRSA-N 482.383 2.269 30 10 JEEE CC(C)(C)OC(=O)N[C@@]12C[C@H]1CN(S(=O)(=O)Cc1ccccc1B1OC(C)(C)C(C)(C)O1)C2 2282507679 LDVJLBRGBRRCSF-GAJHUEQPSA-N 478.420 2.415 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@@]12COCCN(C(=O)C1(B3OC(C)(C)C(C)(C)O3)CC1)C2 2282555165 OQEQJLNJFQRLLB-JOCHJYFZSA-N 466.384 2.478 30 10 JEEE Cc1c(C(=O)N2[C@@H](C)CN(C(=O)OC(C)(C)C)C[C@H]2C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282596789 CXKRCLZICJZRSV-GASCZTMLSA-N 462.400 2.498 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H]2OCCN(C(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)o3)[C@@H]2C1 2282632619 NCAMYUAKSPTACW-HZPDHXFCSA-N 462.352 2.429 30 10 JEEE CC(C)(C)OC(=O)N1[C@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C[C@H]2COC[C@@H]21 2282637229 WGAGTEZPLVSZES-ZVZYQTTQSA-N 461.368 2.068 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@H]1C[C@@H](OCc2ccccc2)C1(C)C 2282847628 BKPJYFBXMMRFMH-RBUKOAKNSA-N 475.420 2.382 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2OCC[C@]2(C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)C1 2296393430 VUFMUWNVSIVSEU-CMJOXMDJSA-N 459.352 2.345 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC(F)(F)C[C@@H]1CNC(=O)OC(C)(C)C 2296412749 CXSUDYMXMIFAEP-CYBMUJFWSA-N 470.326 2.094 30 10 JEEE CN(C)CCCN1C(=O)C(=O)C(=C(O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@@H]1c1ccccc1 2296583747 DRUSCAPQMCEMAC-NRFANRHFSA-N 471.579 2.310 30 10 JEEE C[C@@H](C#CC(=O)NC[C@]1(O)C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C 2318679415 HIRSTIBQLARUFD-JHQQDIAJSA-N 451.564 2.312 30 10 JEEE CN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1F 2320555262 LSMLZXDZSRVVNL-GXTWGEPZSA-N 455.361 2.472 30 10 JEEE COc1cc(OC)c(OC)cc1C=Nn1c(Cc2ccc(F)cc2)nnc1SCC(N)=O 2329826506 SZMSJUFMNOOTLS-UHFFFAOYSA-N 459.503 2.493 30 10 JEEE C=CCN(CC(=C)B1OC(C)(C)C(C)(C)O1)C(=O)[C@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C 2335408974 PVWIRMGKDJXEMY-INIZCTEOSA-N 472.413 2.127 30 10 JEEE C[C@H]1CC[C@H](CNC(=O)C(F)(F)F)N(C(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C1 2337333571 BSHXFEAOILBQRU-NWDGAFQWSA-N 461.315 2.362 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CS(=O)(=O)C[C@H]1Oc1ncc(Cl)cc1B1OC(C)(C)C(C)(C)O1 2339440600 LKMLLQBVOMSFFW-LSDHHAIUSA-N 488.799 2.103 30 10 JEEE Cn1nc(C(=O)N[C@@]2(C)CN(C(=O)OC(C)(C)C)CC2(F)F)cc1B1OC(C)(C)C(C)(C)O1 2361544043 LUAFSUREQCOSMQ-FQEVSTJZSA-N 470.326 2.094 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2CC[C@H](C1)C2NC(=O)OC(C)(C)C 2362451552 LFWOUFXQTGRQBD-XYPWUTKMSA-N 460.384 2.095 30 10 JEEE CC1=C(B2OC(C)(C)C(C)(C)O2)CN(C(=O)C2(S(C)(=O)=O)CN(C(=O)OC(C)(C)C)C2)CC1 2379890997 BRVHMYJGQMNIEC-UHFFFAOYSA-N 484.424 2.201 30 10 JEEE Cc1nn(CCO)c(C)c1/C=N/Nc1nc(SCC(=O)Nc2nnc(SC(C)C)s2)n[nH]1 59888352 KCLRJCKHCBFGIV-CNHKJKLMSA-N 496.648 2.139 30 10 JEEE CCCCCCCCO[C@@H]1O[C@@H]([C@H](COC(C)=O)OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 72400205 YQYGIWWSRQRBBQ-VNXMGFANSA-N 460.520 2.447 30 10 JEEE N#Cc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)c(F)c1 609229934 XYSJZUMHTZFVIG-UHFFFAOYSA-N 459.499 2.186 30 10 JEEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccc(Cl)cc1 729668210 BBLWUAADGZAIQY-UHFFFAOYSA-N 463.950 2.228 30 10 JEEE CC1(C)O[C@@H]2C[C@@H]3[C@H]4C[C@@H](F)C5=CC(=O)C=C[C@]5(C)[C@]4(F)[C@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1 1076382935 FEBLZLNTKCEFIT-SPJMZGNLSA-N 452.494 2.367 30 10 JEEE COc1ccc(C=NNc2nnc(SCC(=O)Nc3c(F)cccc3F)n2N)cc1OC 1084115696 VIVBPCPJIGHDMA-UHFFFAOYSA-N 463.470 2.464 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)N2CC3(CCN(C(=O)OC(C)(C)C)C3)C2)ccc1F 1159348494 ASALVLVPADQAPL-UHFFFAOYSA-N 453.536 2.373 30 10 JEEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H](N1CCOCC1)C(F)(F)F 1286369363 NICLHIKRXXOLGU-GOSISDBHSA-N 489.502 2.007 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CSCCS1)[C@@H]1CCS(=O)(=O)C1 1286387391 DBVIAZNJYITMBZ-MOPGFXCFSA-N 473.649 2.292 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OCCCC)c(OC)c3)n2C[C@@H]2COCCO2)CC1 1286476048 MKRRCFRWEVNDMY-OAQYLSRUSA-N 469.586 2.303 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2Cc2cc(OC)c(OC)c(OC)c2)CC1 1286481630 HYTPUSDUFUWEPW-UHFFFAOYSA-N 462.554 2.093 30 10 JEEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](n2cncn2)C1 1286605479 XOVKFTCDCWZVLS-LJQANCHMSA-N 471.587 2.374 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1286789538 HPNJZXHDXGZYTF-UHFFFAOYSA-N 461.595 2.426 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[C@@H](NC(=O)CC)C2)cc1 1286797038 QILKHFHGPOMKLP-QUCCMNQESA-N 452.559 2.337 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CC[C@@H]2CCN(Cc3ccccc3)[C@@H]21 1286814442 SFHKRPVIABAYLE-NZQKXSOJSA-N 486.642 2.075 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCS[C@@H](CC)C2)nnc1[C@]1(OC(C)C)CCOC1 1286824916 KBSCDCLSXKYIEF-PXNSSMCTSA-N 458.650 2.251 30 10 JEEE C[C@H](C#N)CN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCC1(O)CCOCC1 1286958635 ANASMHPJWVDQNN-MRXNPFEDSA-N 460.966 2.389 30 10 JEEE C[C@H](CC#N)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1288513211 CMPCXXHZUATSKL-UYAOXDASSA-N 481.601 2.397 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H](C)CN1CCOCC1 1288704921 HCCPJNWYQDKGHM-MSOLQXFVSA-N 460.604 2.055 30 10 JEEE CCO[C@@]1(c2nnc(N3CCN(c4ccc(C#N)cn4)CC3)n2CCN(C)[C@H](C)CC)CCOC1 1296648795 CJCXMPNPLGRDOQ-NLFFAJNJSA-N 482.633 2.254 30 10 JEEE CN(C)C(=O)COc1ccccc1C(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1300413879 BRWWFCDHNPOLSK-UHFFFAOYSA-N 458.522 2.378 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCn1cc(CO)nn1 1300580562 DTJTZIFYUZZZNL-HXUWFJFHSA-N 496.616 2.030 30 10 JEEE C#CCN(CC#CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCn1ccnc1C 1300591207 NGQGSFWKIMFQQA-UHFFFAOYSA-N 470.625 2.311 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1Cc1ccccc1CN1CC[C@H](O)C1 1300664770 FPMFPPWGOXSYSP-GOTSBHOMSA-N 453.587 2.221 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccccc2-n2cccn2)CC1 1300682329 KJJSYQVJOYJMTH-UHFFFAOYSA-N 460.586 2.186 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2cccc(C(F)(F)F)n2)CC1 1300686304 ZYTZVFHNYSPOKX-OAQYLSRUSA-N 464.492 2.148 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCCc2cnn(C)n2)CC1 1300716789 RDHVGPJALFEEHH-SFHVURJKSA-N 494.575 2.284 30 10 JEEE C#CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@](C)(C(N)=O)C1 1300741291 RRBGAHNYAXUYEK-SFHVURJKSA-N 451.394 2.114 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1-n1ccnc1 1300780942 ZIZFIPBQJKXLIW-VGOFRKELSA-N 453.572 2.114 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 1300877727 ZDQSCDYQGVKTPJ-WOJBJXKFSA-N 469.652 2.260 30 10 JEEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cc(C)nc(C(C)C)n2)CC1 1300951052 WPWMXXDGWKLQTC-SFHVURJKSA-N 459.620 2.305 30 10 JEEE C=C(Cl)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1301019085 FSEDIZCKTNRQNZ-AWEZNQCLSA-N 456.952 2.347 30 10 JEEE C=CC1CCN(c2nnc(-c3cnccn3)n2Cc2ccccc2S(=O)(=O)N(C)C)CC1 1301119139 XIGIAMSWHMDHCO-UHFFFAOYSA-N 453.572 2.436 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc(Cn2nc(C)cc2C)n1CC1(O)CCS(=O)(=O)CC1 1301402342 LZQVAZHDSQFZGL-UHFFFAOYSA-N 498.653 2.315 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](c2cccc(OC)c2)N(C)C)C1 1301555200 ABOPOJQNWOOJRH-KSEOMHKRSA-N 489.642 2.273 30 10 JEEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)N2CCSCC2)CCS1 1305153577 DGOQWPSFYNVJIO-INIZCTEOSA-N 478.669 2.137 30 10 JEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 1358913212 IRBNXWYRZNHGIS-QZTJIDSGSA-N 465.620 2.477 30 10 JEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1358922318 BDLUVGUQUQNENW-UHFFFAOYSA-N 495.609 2.196 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccc1Cl 1358929832 IYMRLDRXXBAGRM-GOSISDBHSA-N 451.980 2.314 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCC1CC1)[C@H]1CCS(=O)(=O)C1 1358957522 VPTFAOQZQZMIQV-HNNXBMFYSA-N 452.378 2.463 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1358963336 GLJCIUXMMPVMHW-IRXDYDNUSA-N 464.538 2.343 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(CN2CCC(O)CC2)cc1 1358999579 WFHOKHDAMVIMEX-AHWVRZQESA-N 491.636 2.470 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@](C)(O)c2ccccc2Cl)CC1 1359030238 RAFGPRNTWXNTEI-JPYJTQIMSA-N 461.994 2.318 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCN2CCC(C)CC2)CC1 1359046854 IELUTKVIKAGWAN-UHFFFAOYSA-N 480.661 2.228 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2Cc2cccnc2OCC(F)F)CC1 1359047580 MDLGXLGLOIWTBQ-GOSISDBHSA-N 474.512 2.183 30 10 JEEE C=C(C)COCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@@](C)(C(=O)NC)C1 1359131522 WPMITDZJKWGFCZ-RUZDIDTESA-N 479.585 2.230 30 10 JEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)=C(Br)C1 1359216379 VNINCAVKLSYEHK-MRXNPFEDSA-N 474.425 2.456 30 10 JEEE C=CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1359217413 YRHODIXGHIRBFN-ZWKOTPCHSA-N 475.594 2.109 30 10 JEEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 1359231550 ZHILAPNMZTUKKT-CVEARBPZSA-N 456.613 2.158 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1)C(C)C 1359265376 DRMAPZHJJMEQKB-XUZZJYLKSA-N 487.674 2.392 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CCNC(=O)C(C)(C)C)C1 1359325003 WGERQJAADDOMMD-MRXNPFEDSA-N 460.604 2.213 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N1CCOC2(CCC2)C1 1359327886 NKIUDBQYQVHJOI-UHFFFAOYSA-N 484.420 2.406 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)C[C@H]1CCOC1 1359331662 FLLJNBGUCRIDTI-GOSISDBHSA-N 497.662 2.466 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)Cc1c(C)nn(C)c1C 1359333514 ZXILHXRDFLXTAR-NRFANRHFSA-N 486.598 2.378 30 10 JEEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)C1CCN(S(=O)(=O)c2c(C)noc2C)CC1 1467929004 LLOPHNROFHAMQN-UHFFFAOYSA-N 451.545 2.382 30 10 JEEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccccc2SCc2ccc(C#N)cc2)CC1 1471450931 LQMRGUAFXHJHSJ-UHFFFAOYSA-N 454.577 2.076 30 10 JEEE C#CCCCn1c([C@H]2COc3ccccc3O2)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1507588505 MMITUMLQSAKSHR-WIYYLYMNSA-N 474.583 2.234 30 10 JEEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CCC1CCC(OC)CC1)[C@@H]1CCS(=O)(=O)C1 1507624899 FJJYDPQMHULBBI-VEPLXINESA-N 494.658 2.152 30 10 JEEE C#CCN(c1nnc(-c2ccccc2)n1CCCOC[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1507628222 HHDCKGSSQCJFJG-CTNGQTDRSA-N 458.584 2.015 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H](C)N1CCOCC1 1507658169 FLICHQFLGQNBGG-IBGZPJMESA-N 468.989 2.045 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCn1cc([C@@H]2CCOC2)cn1 1507691484 IJLPRSVZPBRSTR-CTNGQTDRSA-N 499.616 2.447 30 10 JEEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 1507869670 WZWFZFOBPDEZRF-HNNXBMFYSA-N 466.951 2.168 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c(-c2cnccn2)nnc1N1CCc2nn(C)c(=O)cc2C1)C(C)C 1508013537 OYHGUJKDCRFKEO-JOCHJYFZSA-N 475.601 2.090 30 10 JEEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCS[C@H](C(C)C)C1 1508071394 BLHGOWKJIZUIDV-KRWDZBQOSA-N 491.687 2.427 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1508072757 KEECUDOVQRGGDE-SJORKVTESA-N 471.558 2.136 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1508077903 RMTNJZOJLCZPOG-OAQYLSRUSA-N 475.391 2.281 30 10 JEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@H]1c1cccc(F)c1 1508142288 BDKWNKFKAAEGGA-IBGZPJMESA-N 461.563 2.482 30 10 JEEE Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CCCN(C)C(=O)OC(C)(C)C)n1 1511715451 DNMLFGSRBZDIII-SFHVURJKSA-N 458.567 2.126 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@]1(C)COCCO1 1539003979 RNKKRZNYPYMGQM-MZNJEOGPSA-N 450.543 2.499 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2C[C@H]2NC(=O)CC2(C)C)c1 1539042232 CXALWKCPXLVLFN-OAQYLSRUSA-N 471.565 2.235 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCO[C@@H](C)C2)c1 1539043402 PYTKRGMFTRLPCK-QRFRQXIXSA-N 450.543 2.101 30 10 JEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCCN1CCN(CC)CC1 1539179736 REXMFZPLUMZIQT-OAQYLSRUSA-N 489.665 2.074 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1CCN(CC)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1539212718 XHXGWYIFMCWUSL-GOSISDBHSA-N 490.630 2.167 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1csc(C)n1 1539668591 BUCVSJNHXFSPQS-KRWDZBQOSA-N 454.622 2.021 30 10 JEEE C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1539683272 LLVMXGDWNDPURN-BGYRXZFFSA-N 480.617 2.128 30 10 JEEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1539824660 XVNCLRUGZDVMDE-OTWHNJEPSA-N 450.971 2.473 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c(-c2cccn2C)nnc1N1CCN(C(=O)NC)CC1)C(C)C 1540152182 QQIKFTVRSJFNOI-OAQYLSRUSA-N 454.623 2.444 30 10 JEEE C=CCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1540853779 NQKSPAPRERSUAI-WBVHZDCISA-N 458.950 2.021 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc3ccccc3o2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1540865441 GWPIWFXIHKNCTE-GOSISDBHSA-N 479.585 2.030 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@H](C(=O)NCC(F)(F)F)C2)cc1 1540877919 JIEZWAAFXRDCOT-WMZOPIPTSA-N 492.502 2.347 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCOC2(CCC2)C1 1540899845 BWEIOLMMQDFKFY-UHFFFAOYSA-N 462.572 2.322 30 10 JEEE CC(=O)N(C)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCO[C@H]2CCOC2)CC1 1540928930 LDOFUCZNLBTXSJ-QFIPXVFZSA-N 452.559 2.459 30 10 JEEE Cn1cncc1C(=O)N1CC2(CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)C[C@H]1C(N)=O 1548379567 DXBSQPXFLHFGMK-KRWDZBQOSA-N 460.460 2.297 30 10 JEEE COc1cc(OC)cc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2CC2(O)CCS(=O)(=O)CC2)c1 1554791390 DMCMYKVZJYZMDH-QFIPXVFZSA-N 489.598 2.032 30 10 JEEE COCCN(c1nnc(-c2cccc(C#N)c2)n1CC(=O)N1CCOCC1)[C@H]1CC[C@H](C)C1 1555532533 HCWUPCJTVRWXSJ-RXVVDRJESA-N 452.559 2.317 30 10 JEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 1556897645 PNVPDOKFZRLGEZ-GOEBONIOSA-N 450.001 2.343 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(C(=O)NCC)CCC1 1587639462 LWUAJBRUEUTAKL-ROUUACIJSA-N 474.606 2.351 30 10 JEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2ccccc2F)C1 1587765684 JAMWOYKPAOOOMV-NHCUHLMSSA-N 491.589 2.132 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@H](C)CN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1588059411 NNLONTKCQLSLCX-TZIWHRDSSA-N 473.618 2.367 30 10 JEEE C#CCN(c1nnc(COCC)n1Cc1ccccc1OC(F)F)[C@@H]1CCS(=O)(=O)C1 1588073956 GJZFBKNEKOFLNC-MRXNPFEDSA-N 454.499 2.091 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](OC)c2ccccc2)CC1 1588884824 NZEGFEDJBYKJCU-NRFANRHFSA-N 487.564 2.279 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CCCN(C)CC(F)(F)F)CC1 1588923670 INDSFONNAVWYGB-UHFFFAOYSA-N 477.535 2.499 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2CC[C@H]2C[C@H](F)C2)CC1 1588961711 JRVNRHYKPXXTBB-SAABIXHNSA-N 472.590 2.374 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(N(C)C)c1 1589662898 DLDUYDBWHUXYEG-FQEVSTJZSA-N 462.620 2.128 30 10 JEEE C=C(C)COCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCc2nn(C)c(=O)cc2C1 1593718056 OTAABYYRUMVAGH-UHFFFAOYSA-N 466.542 2.211 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](C)O[C@H](c2ccsc2)C1 1595603112 XYAMCGQGWDOLDP-JMVFIXPQSA-N 461.588 2.332 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(N3CCOC3=O)cc2)C1 1595664491 FOTBMZGUTQCJLA-IBGZPJMESA-N 454.531 2.203 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccc(NC(=O)OC)c2)C1 1595722929 OZWWHHZSTYNQGV-PKOBYXMFSA-N 475.571 2.188 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 1595811979 IYXBRBFETYFIPV-UHFFFAOYSA-N 497.581 2.100 30 10 JEEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1595900802 JPTPMLMEFVIVDX-GOSISDBHSA-N 452.650 2.462 30 10 JEEE N#Cc1cccc(NC(=S)N[C@@H]2CO[C@H]3[C@@H](n4cc(COc5ccccc5)nn4)CO[C@@H]32)c1 1616130084 NYZSTWBTWJLBQU-MBDNFAEBSA-N 462.535 2.423 30 10 JEEE CN1C[C@H](NS(=O)(=O)c2ccc(C#N)cc2)C[C@H]1c1nc(-c2ccc3c(c2)OCO3)no1 1616167576 FHXVDHWBXOQEBM-WBVHZDCISA-N 453.480 2.061 30 10 JEEE N#C[C@@H]1CN(C(=O)[C@@H]2CS[C@@H](Cc3ccccc3F)C(=O)N2)CCN1Cc1ccccc1 1617184301 DZGXGTIOIVNJGF-HJNYFJLDSA-N 452.555 2.205 30 10 JEEE C#CCCN1CCN(C(=O)[C@H](CCSC)NS(=O)(=O)c2ccc3ccccc3c2)CC1 1627318509 HNNRDTIIOLPAKO-QFIPXVFZSA-N 459.637 2.407 30 10 JEEE C=CCn1nc(C)c(-c2cc(C(=O)NCCOc3ccc(NS(C)(=O)=O)cc3)n[nH]2)c1C 1637223093 IEFSCRRNMAASRP-UHFFFAOYSA-N 458.544 2.256 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2Cc2ccc(C)n(C)c2=O)c1 1689870760 ZJHQIGYLCQUXRH-UHFFFAOYSA-N 467.533 2.452 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Cl)n1CCNC(=O)c1ccco1)[C@H]1CCS(=O)(=O)C1 1689985836 CKRBDDQJWPOIOX-INIZCTEOSA-N 487.969 2.248 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC(=O)NCC(F)(F)F 1690031333 HMSCWDBKWOMRQR-UHFFFAOYSA-N 460.460 2.289 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2csc(C)c2)n1 1690109588 XBZPOAGWDRAJBM-IBGZPJMESA-N 488.639 2.081 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccccc3C)n2CC[C@@H](C(F)F)N2CCOCC2)CC1 1690119570 KJHYMXYLOUTPSE-NRFANRHFSA-N 458.557 2.365 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC[C@@H]2CCCCO2)CC1 1690124349 JORRXJOXQFKCJN-SFTDATJTSA-N 488.633 2.301 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CCCN2C[C@H](C)O[C@H](C)C2)CC1 1690139524 QJHJTTBXEOODPE-BGYRXZFFSA-N 468.602 2.312 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2csc(N3CCOCC3)n2)n1CC(C)(C)C(=O)NCC 1690202921 KVYWFZSEDGCKGM-HSZRJFAPSA-N 471.631 2.393 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@H](C(N)=O)C1 1690237423 YPSLCWKMJHXGMB-HBFSDRIKSA-N 452.559 2.440 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(n2cc(Cl)cn2)CC1 1690313645 ZPPNLGTUSKQCLP-MRXNPFEDSA-N 469.011 2.464 30 10 JEEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCN(CC)C(=O)C1 1690346390 SDTIFLHQNWCSLT-INIZCTEOSA-N 468.986 2.398 30 10 JEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1690674093 OSKOAXSSQDORSR-YOEHRIQHSA-N 475.619 2.285 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)N2CCCC2)CC1 1690681084 FPZZZHQDYZLAPX-UHFFFAOYSA-N 481.601 2.367 30 10 JEEE COc1ccccc1[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](C#N)C1)OC(C)C 1697545920 HANQHMXHIPLSHP-PXNSSMCTSA-N 456.547 2.320 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCO[C@@H]1C(C)C)[C@@H]1CCS(=O)(=O)C1 1705568556 PUOCRIZYDRSGNQ-YZUZCNPQSA-N 497.621 2.417 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1CCO[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1705570797 RBSZXJOHVAJYGE-DSKINZAPSA-N 460.575 2.450 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1CCc1nccc(C(F)(F)F)n1 1705590303 HFHSELVXOYNIMU-OAQYLSRUSA-N 462.476 2.445 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2Cc2ccc(F)cn2)CC1 1705634277 PXSRQLORLVZMRH-UHFFFAOYSA-N 466.517 2.309 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H](C)Oc2cccc(C)c2)CC1 1705635092 QUOXUJZWVKJYBI-PXDATVDWSA-N 453.587 2.461 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C(F)(F)F)n1 1705674436 JAWIBLVLYMOVLK-OXJNMPFZSA-N 498.531 2.065 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@H](COC(C)C)C1 1705722264 DHANRFBGAVAERR-IBGZPJMESA-N 463.604 2.402 30 10 JEEE C=C(C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1705727310 VIMMDPBELNAAFQ-UHFFFAOYSA-N 468.602 2.031 30 10 JEEE C=C(C)Cn1c(N2CCN([C@H](C)C(=O)N3CCCC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1705728657 RMYASCIOHZZNBT-YKSBVNFPSA-N 460.623 2.028 30 10 JEEE C=C(C)COCCn1c([C@H]2CCCO2)nnc1N1CCC(CC(=O)N2CCN(CC)CC2)CC1 1705741161 HNEXUMJUYNFNLF-JOCHJYFZSA-N 474.650 2.493 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCCOC2)n1CC1(O)CCS(=O)(=O)CC1 1705857320 TUIBPIXQUNOJPR-HXUWFJFHSA-N 490.626 2.313 30 10 JEEE C=CCN(CC=C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN1CCN(C)C(C)(C)C1 1705873665 RBKANTRCZBPTRQ-UHFFFAOYSA-N 476.629 2.396 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCCN(C(=O)CCc2ccccc2)CC1 1705909476 YFUBQQGYRAKAIX-OAQYLSRUSA-N 466.586 2.103 30 10 JEEE C=CCSCCn1c(CCc2ccccc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1705948207 LDRAIIXPERZKHW-UHFFFAOYSA-N 482.654 2.254 30 10 JEEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1722324717 WVRVKRLMTTVYRF-RXVVDRJESA-N 471.005 2.432 30 10 JEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](O)(Cc2cccc(Cl)c2)C1 1722332795 OVGGAKYNRRPRCQ-GCJKJVERSA-N 463.003 2.431 30 10 JEEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1722346771 WODRCQFBVJSHOU-GOSISDBHSA-N 485.532 2.071 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1ccc(N(C)C)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1722367142 UXAFGPGSMMGLHG-HXUWFJFHSA-N 482.585 2.144 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCCN1C(=O)OC(C)(C)C 1722376978 KIXMOECIJYKFJS-OAQYLSRUSA-N 487.568 2.393 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOCC(F)F 1722420320 HDFZNRKGRHBXQW-MRXNPFEDSA-N 456.490 2.241 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(-n2cncn2)nc1 1722427397 OHSGJVNFCJWLGS-TZIWHRDSSA-N 464.574 2.307 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CC(C)(C)c2cccs2)CC1 1722449598 MQOMTGWHUMKONM-UHFFFAOYSA-N 468.627 2.406 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@](C)(O)c2ccco2)CC1 1722450515 KVSLURLKBUFREV-SANMLTNESA-N 493.564 2.332 30 10 JEEE C=C(Br)Cn1c(N2CCN(C[C@H]3CCOC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1722490006 VPOYRPGCEQZAEQ-NQIIRXRSSA-N 484.439 2.386 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@](C)(O)c2ccc(F)cc2)CC1 1722582195 MKFNECNEPUPXNQ-OFNKIYASSA-N 493.605 2.060 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccco1 1722654093 IRYDOYOSCRSSAO-NRFANRHFSA-N 487.582 2.454 30 10 JEEE C=CCn1c(-c2ccccc2OC)nnc1N1C[C@@H]2[C@H](C1)[C@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1722703642 XHKBEOFKYWGPCS-ZHALLVOQSA-N 489.598 2.266 30 10 JEEE CC(=O)N1CC[C@@H](CN(C)c2nnc(COc3ccc(C#N)cc3)n2CCN2CCOCC2(C)C)C1 1722759713 IAFISCFHGRCLAH-QFIPXVFZSA-N 495.628 2.144 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccccc1OCC(F)(F)F 1723619679 ACFHBNYCXGTIRA-OAHLLOKOSA-N 452.437 2.134 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1C[C@@H](C1CC1)N(C)C 1723925156 HHWSVTCDKPLWCX-JTSKRJEESA-N 483.642 2.394 30 10 JEEE CCOc1ccccc1OCc1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@]1(O)CCN(C)C1 1728898971 CFIIFKAIGHHTEQ-DNQXCXABSA-N 454.575 2.452 30 10 JEEE CN(CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCO[C@@H](C#N)C1)C(=O)OC(C)(C)C 1729533272 BVYUTNBIIXGZSF-QFBILLFUSA-N 470.530 2.386 30 10 JEEE COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(Cl)cc1OC 1730763573 HYCJPMPJJVMFHC-INIZCTEOSA-N 467.979 2.257 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1c(C)nn(-c2ccccc2)c1C 1740532467 GIUYHIVDMRBYKR-WBVHZDCISA-N 455.588 2.197 30 10 JEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCN1CCN(c2ccccc2)CC1 1740573953 IDIMKTRZDCGEJC-QFIPXVFZSA-N 484.670 2.242 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCOC[C@@H]1OC 1740645957 WCGBAIYQKIKMQM-UFYCRDLUSA-N 457.575 2.474 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1([S@@](C)=O)CCC1 1740646643 HEKXYSLUCJDSFW-MGBGTMOVSA-N 486.667 2.311 30 10 JEEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ccc(N(C)C)nc1 1740685476 NMEYVCKOXMDPOU-UHFFFAOYSA-N 475.601 2.047 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Br)s3)n2CCOCCCO)CC1 1740701290 AWUDSIXWQQXPPB-UHFFFAOYSA-N 496.431 2.134 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2Cc2cccnc2OCCOC)CC1 1740704915 WEACKBARWBYUCZ-UHFFFAOYSA-N 489.580 2.083 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@H](c2ccc(C)cc2)N2CCOCC2)CC1 1740707569 HPAVAESJCJIPLG-XMMPIXPASA-N 494.640 2.162 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2cccc(F)c2)CC1 1740710082 QZZXYUPWGYGFBJ-FPOVZHCZSA-N 455.534 2.155 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1740750040 KRIXSXPZQFJYRF-CVEARBPZSA-N 476.519 2.420 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCOC2(CCCCC2)C1 1740752595 YIGUDGCOSXTKHP-QYZOEREBSA-N 467.636 2.409 30 10 JEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 1740786963 VHDXOTOCHNNVGO-UHFFFAOYSA-N 470.574 2.407 30 10 JEEE C=C(Cl)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1740813253 AIELYLPVSRRFQU-HTAPYJJXSA-N 484.004 2.470 30 10 JEEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1740817780 SSWDFLXMSDKATR-KSZLIROESA-N 452.987 2.337 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(OC)cc2OC)CC1 1740840371 XFRWPTAPHAJYKU-OAQYLSRUSA-N 491.614 2.079 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1740847967 YUWSZNYCWFLFLE-SFHVURJKSA-N 451.579 2.072 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c(-c2cnccn2)nnc1N1CCN2C(=O)CC[C@H]2C1)C(C)C 1740925207 AGPWZNUHHWNNPE-PZJWPPBQSA-N 450.591 2.245 30 10 JEEE CCN1CCN(C[C@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(NC(C)=O)CC2)CC1 1746458099 FCQFITPWJHFIKN-FQEVSTJZSA-N 478.645 2.195 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN(CCC)C(=O)OC(C)(C)C 1748672020 PJDZYANQFCQNCQ-IAGOWNOFSA-N 453.609 2.285 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Br)n1C[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1748809205 KQHHKIPCXJYKMS-HZPDHXFCSA-N 479.400 2.371 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1cn(C2COC2)nn1 1748925447 HWJQZCKRMPPEPH-QGZVFWFLSA-N 470.578 2.063 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCCO[C@H]2CCOC2)CC1 1748977771 CKGRTZRSDBUOSS-FQEVSTJZSA-N 461.513 2.497 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2cccc(C(=O)N[C@H](C)CC)c2)CC1 1749010604 TZVFQTCKPVBALY-AUSIDOKSSA-N 492.624 2.324 30 10 JEEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1ccccc1F)C1CC1 1749038412 RSDANQVCBKHORT-FQEVSTJZSA-N 493.630 2.286 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nc(C2CC2)cs1 1749158841 MEKUTGMUVNDUMI-KRWDZBQOSA-N 466.633 2.396 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1749657716 BPIUWJYIQWKHIS-KRWDZBQOSA-N 488.390 2.050 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC2(CC1)COC(=O)N2 1749724671 LFKYIJHMEJPSSE-MRXNPFEDSA-N 493.561 2.237 30 10 JEEE CS(=O)(=O)NC[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC=CO2)C1 1750214185 HTSIBMNYZVKJRP-PZJWPPBQSA-N 486.598 2.187 30 10 JEEE Cc1ccc(NC(=O)c2nnc(N(C)[C@@H](C)CC#N)n2C[C@H]2CCN(S(C)(=O)=O)C2)cc1C 1751535228 FDKIVHUHJNYTFD-ROUUACIJSA-N 473.603 2.167 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1760181679 ZRSQGPJVTVSPKF-JENIJYKNSA-N 463.579 2.134 30 10 JEEE C#CCN(CC)c1nnc(COc2ccc(Br)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1760237335 GGZVPWMCFMRTLN-INIZCTEOSA-N 475.347 2.067 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCCN(C(C)C)C2)CC1 1760264730 CVVDPZVTKSQHHA-HXUWFJFHSA-N 492.628 2.012 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCC2(O)CCOCC2)CC1 1760265787 JHDNTDJNCXHMHZ-LJQANCHMSA-N 499.587 2.455 30 10 JEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 1760281817 XTAFSBLQXAFZIT-IRXDYDNUSA-N 462.620 2.431 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1760320415 VARMABCSXFRPHB-FOWVLEKCSA-N 486.569 2.304 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(C)C)C(=O)C1 1760327238 FANIHIQETZWKKZ-WAGURGNTSA-N 461.607 2.288 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1760526836 VBTWVCHGJWXAGA-HSZRJFAPSA-N 493.612 2.495 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCN(c2ncccc2C#N)CC1 1760552957 HDKCUFNSEYUGEA-UHFFFAOYSA-N 477.594 2.448 30 10 JEEE C=CCSCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1760559264 FMDZQWCOLCEYPF-WBVHZDCISA-N 491.017 2.138 30 10 JEEE CCn1nc(-c2nnc(N(C)[C@@H](C)CC#N)n2C[C@H](C)N2CCOCC2)c2ccccc2c1=O 1767158834 ABZUIOVSBRZDSO-ROUUACIJSA-N 464.574 2.134 30 10 JEEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCCCCC2)C1 1767251597 GQTTXIZOAAOFSG-OAQYLSRUSA-N 471.631 2.211 30 10 JEEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1[N+](=O)[O-] 1862754355 JXEVHNNRKQSMPV-GOSISDBHSA-N 454.395 2.217 30 10 JEEE C=CCN(CC=C)c1nc(=NC(=O)c2ccc(Br)cc2)n([C@H]2CCS(=O)(=O)C2)[nH]1 1870005141 YGRFYQNTHSSDKW-INIZCTEOSA-N 480.388 2.253 30 10 JEEE COc1cccc(Cn2nnc(C#N)c2NC(=O)CCCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1 1870110627 AHHRYYFRHIRVJM-UHFFFAOYSA-N 489.448 2.130 30 10 JEEE N#Cc1nnn(-c2ccc(N3CCCC3)cc2)c1NC(=O)CCN1C(=O)c2ccccc2C1=O 1870144243 UMDXQHAGHGGRND-UHFFFAOYSA-N 455.478 2.364 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)COc2cn(CCCC)c(CN(C)CCO)cc2=O)nc1C 1870323422 QDUXVKOSCHHTBV-UHFFFAOYSA-N 492.598 2.198 30 10 JEEE COc1cc(/C=N/n2c(SCCCO)nnc2[C@H]2CCCO2)ccc1OCCN1CCOCC1 1874451277 VRFUXXIEZCTJQY-HQXXTQMQSA-N 491.614 2.206 30 10 JEEE CCn1cc(C(=O)N2CCC(OCC#CCN3CCN(C(C)C)CC3)CC2)c(=O)c2ccc(C)nc21 1890436926 SSMRXASSXVJNMO-UHFFFAOYSA-N 493.652 2.375 30 10 JEEE Cc1ccc(C(=O)NC[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 1963043473 LWBLXQSNLDPQKR-DEOSSOPVSA-N 460.380 2.396 30 10 JEEE CC1(C)OB([C@H]2[C@@H]3CN(S(=O)(=O)CCCCN4C(=O)c5ccccc5C4=O)C[C@@H]32)OC1(C)C 1999987884 KVTCSNJWDKEGGI-BWTSREIZSA-N 474.388 2.417 30 10 JEEE C#CCN(CC(=O)N[C@]1(C(=O)O)CC[C@@H](CNC(=O)OC(C)(C)C)C1)C(=O)OC(C)(C)C 2059565598 BWPFSASXFGZSPP-IVZQSRNASA-N 453.536 2.121 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCOC[C@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2255620788 FDLGPLUHYGUHQX-LSDHHAIUSA-N 452.382 2.459 30 10 JEEE C[C@H](CNC(=O)OC(C)(C)C)NS(=O)(=O)c1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2255799870 NRMIVUSJPGQWHL-CYBMUJFWSA-N 458.361 2.316 30 10 JEEE CC(C)(C)OC(=O)NC(C)(C)[C@H](O)C(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)cs1 2256639418 IONXQLGUQDMUKM-OAHLLOKOSA-N 454.398 2.328 30 10 JEEE CC(C)(C)OC(=O)N1CCC(OC(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)CC1 2256664459 CQOAJVXYMZMHDO-UHFFFAOYSA-N 454.358 2.207 30 10 JEEE CN(Cc1csc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)C1(NC(=O)OC(C)(C)C)COC1 2256675333 FUPDWBQHHQHRNR-UHFFFAOYSA-N 452.382 2.299 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)[C@@H](CO)C1 2266996422 OSHSQMGYLUDSNV-RHSMWYFYSA-N 466.409 2.395 30 10 JEEE Cc1csc(C(=O)N2C[C@@H](O)C[C@H](NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267149867 BJYXZDWQCWXZFW-GJZGRUSLSA-N 466.409 2.456 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@H]1NC(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1F 2267403239 KLLFBXJFBTUQDD-HZPDHXFCSA-N 450.316 2.147 30 10 JEEE CCN(CCN(CC)C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2267514584 BICBCPCPVIVSMX-UHFFFAOYSA-N 450.389 2.438 30 10 JEEE Cc1csc(CNC(=O)[C@H]2C[C@H](O)CN2C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2268630565 MEEMMTONGYTUKZ-LSDHHAIUSA-N 466.409 2.342 30 10 JEEE Cc1nc(NC(=O)[C@@H](F)C2CN(C(=O)OC(C)(C)C)C2)ncc1B1OC(C)(C)C(C)(C)O1 2268655324 KKRWKCIXOLBWKC-HNNXBMFYSA-N 450.320 2.228 30 10 JEEE CC(C)(C)OC(=O)N[C@]1(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)CCC[C@H]2C[C@@H]21 2268672575 UCLYISISSMGOAJ-OYMPBJRDSA-N 464.397 2.281 30 10 JEEE C[C@@H](OCc1ccccc1)[C@H](NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)O 2269037863 LUHBAIIPNUNHHI-KDOFPFPSSA-N 481.401 2.384 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C(=O)OCC)C1 2281227364 GTIWJOUFDHUWML-VTPMOLMCSA-N 479.574 2.304 30 10 JEEE Cn1ncc(C(=O)N2C[C@H]3C[C@@H](C2)[C@@H](NC(=O)OC(C)(C)C)C3)c1B1OC(C)(C)C(C)(C)O1 2281818093 VXFSBAPFRXVHIN-ZOBUZTSGSA-N 460.384 2.095 30 10 JEEE Cc1cnc(C(=O)N2C[C@@H](C)C[C@H](NC(=O)C(F)(F)F)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2281956675 BCNLDBYJQRWMKR-KBPBESRZSA-N 455.286 2.218 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2C[C@@H](NC(=O)c3ncc(B4OC(C)(C)C(C)(C)O4)cn3)C[C@H]21 2282019297 JOJAIJKICBMWCE-RKTXRCNFSA-N 458.368 2.197 30 10 JEEE C[C@@H]1CN(C(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)C[C@H]1CCNC(=O)OC(C)(C)C 2282049391 YIRGHKQZCZRVNQ-HZPDHXFCSA-N 462.400 2.342 30 10 JEEE Cn1nc(C(=O)N[C@H]2C[C@](F)(CNC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2282049568 BEWCYJFNMKEVSJ-UZKDLZAESA-N 486.781 2.498 30 10 JEEE CO[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)N(C(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2282171833 OZXVINXNIMWIMB-JKSUJKDBSA-N 461.368 2.135 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2282188350 UTKKDNLVQKXPCC-DLBZAZTESA-N 458.368 2.390 30 10 JEEE COCC1(NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2F)CN(C(=O)OC(C)(C)C)C1 2282412455 QBBSSLCEHLRCCN-UHFFFAOYSA-N 464.343 2.491 30 10 JEEE C[C@H]1CCN(C(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)C[C@H]1CNC(=O)OC(C)(C)C 2282553230 WITNMYZRSAIGOI-JKSUJKDBSA-N 462.400 2.342 30 10 JEEE Cc1c(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H](C)[C@H]2C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282555719 XRIQJQWIYDNNRI-HZPDHXFCSA-N 462.400 2.498 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2Cl)CCO1 2282608573 WLXFZNIDXFIUDE-HNNXBMFYSA-N 481.786 2.400 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](NC(=O)c2cc(F)c(B3OC(C)(C)C(C)(C)O3)cc2Cl)C1 2282984261 QKVVOPUCMFCVDB-SJORKVTESA-N 484.761 2.488 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C)cc1NC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C 2283950927 QNDWGUVDAWOIMZ-KRWDZBQOSA-N 461.368 2.310 30 10 JEEE COC[C@@H](ONC(=O)OC(C)(C)C)C(=O)N(C)Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2283964169 MANMVDPSFSRXND-GOSISDBHSA-N 464.368 2.416 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2283974146 LBOQUKQGQLJXNE-HNNXBMFYSA-N 474.392 2.334 30 10 JEEE CO[C@H]1C[C@@H](C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)CN(C(=O)OC(C)(C)C)C1 2284055990 CHCXVQQDYZMAHM-CABCVRRESA-N 481.424 2.331 30 10 JEEE CC(C)(C)OC(=O)N1CC(N2CC(C(=O)NCc3ccc(B4OC(C)(C)C(C)(C)O4)s3)C2)C1 2284348788 FQJMPYMTIQQLSZ-UHFFFAOYSA-N 477.436 2.215 30 10 JEEE COc1ccc(C(O)=C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccnc2)cc1Cl 2296079816 XRQKHIIAPBMXKO-HXUWFJFHSA-N 457.914 2.498 30 10 JEEE COc1cc(C=Nn2c(SCCCO)nnc2[C@H]2CC(=O)N(C(C)C)C2)cc(OC)c1O 2329045256 PHRKCNMMVAQRKT-HNNXBMFYSA-N 463.560 2.082 30 10 JEEE CC(=O)NCc1nnc(SCC(=O)NCc2ccco2)n1N=Cc1c[nH]c2ccccc12 2330749765 CKECBWLDBJXLHW-UHFFFAOYSA-N 451.512 2.279 30 10 JEEE CO[C@@H](CNC(=O)OC(C)(C)C)CNS(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2339879924 ZMZAYAQTWLDLPO-AWEZNQCLSA-N 490.453 2.174 30 10 JEEE C=CC1(N[C@]2(C(=O)O)C[C@H]3OCCN(C(=O)OC(C)(C)C)[C@@H]3C2)CN(C(=O)OC(C)(C)C)C1 2349784732 TXFPXRLRCWFOJT-LNPFQXMTSA-N 467.563 2.373 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C1 2362351596 HOFVPWIOATYZEZ-CVEARBPZSA-N 460.384 2.048 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)n1C 2362494741 RHZMHYLTYYDRSF-HSZRJFAPSA-N 462.400 2.405 30 10 JEEE COc1ccc(NC(=O)C2(NC(=O)OC(C)(C)C)CC(O)C2)cc1B1OC(C)(C)C(C)(C)O1 2365291266 BOWWOSWXMWSVOY-UHFFFAOYSA-N 462.352 2.351 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(C(=O)OC(C)(C)C)[C@H]2CCC[C@@H]21 2367687024 NCTYCAZEILSDFJ-HOTGVXAUSA-N 460.384 2.333 30 10 JEEE CCN(CC)c1ccc(/C=N/Nc2nnc(SCC(=O)Nc3ccccn3)n2N)c(O)c1 21325655 OBXIUZTVBBVHDY-FSJBWODESA-N 455.548 2.116 30 10 JEEE Cc1ncc(/C(O)=C2/C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccccc2F)c(C)n1 102753680 XJZLHWUILCOJGM-AGGMBTAESA-N 454.502 2.377 30 10 JEEE N#Cc1ccccc1[C@@H]1N[C@](CC(=O)O)(C(=O)O)[C@@H]2C(=O)N(Cc3cccc4ccccc34)C(=O)[C@H]12 247664310 VKESMFWZROAEQM-FAWUNYRSSA-N 483.480 2.455 30 10 JEEE Cn1cc(C#N)c(NC(=O)c2cc(I)cc(I)c2O)n1 701292899 LYWZJBWLWJJNPX-UHFFFAOYSA-N 494.030 2.459 30 10 JEEE C=CCNC(=O)NC(=O)COC(=O)c1ccc(CNS(=O)(=O)c2ccc(F)c(Cl)c2)cc1 799970016 FUPUASBDAVFAFQ-UHFFFAOYSA-N 483.905 2.126 30 10 JEEE C=CCc1cc(CNC(=O)[C@H]2C[C@@H](O)CN2C(=O)Cc2ccccc2F)cc(OC)c1OC 1136460639 JDWYIVDSTWCBJM-TZIWHRDSSA-N 456.514 2.392 30 10 JEEE C#Cc1cccc(NC(=O)NC(=O)CN2CCC3(CC2)CN(C(=O)OC(C)(C)C)CCO3)c1 1176515899 NUTRPLQYIFYJCZ-UHFFFAOYSA-N 456.543 2.418 30 10 JEEE C#CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1286369309 LCHFOLYTVFZSKR-QGZVFWFLSA-N 475.475 2.317 30 10 JEEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@H]1CCOC[C@H]1OC 1286369402 OQJFKUCJJUZATF-FXAWDEMLSA-N 450.543 2.186 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1Cc1ncnn1C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1286388457 PKQTZEKEIFBTMD-MRXNPFEDSA-N 489.005 2.015 30 10 JEEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@]1(O)CCO[C@H]1C 1286412839 FEIFSJFUWNAKOW-UUOWRZLLSA-N 457.575 2.005 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2cc(Cl)c(OC)c(OC)c2)CC1 1286485174 DUWXOQZHJMQWLP-RXVVDRJESA-N 490.004 2.476 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCc2ccc(NC(C)=O)cc2)CC1 1286495404 VBDFJUQHXYWTEF-JOCHJYFZSA-N 464.570 2.297 30 10 JEEE C#CCSCCn1c(-c2ccc(Br)s2)nnc1N1CCO[C@@H](C(=O)NC)C1 1286499719 UZFDBGAKYVUUKZ-GFCCVEGCSA-N 470.418 2.087 30 10 JEEE C=C(Br)Cn1c(-c2ccc(C)o2)nnc1N1CCN([C@H](C)C(=O)NCCCOC)CC1 1286534148 PQUKDHNCCLUIRR-QGZVFWFLSA-N 495.422 2.418 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CC(=O)N1CCOCC1 1286614397 QZMSMRLFDRYOJF-IBGZPJMESA-N 492.621 2.238 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)N1CCOCC1 1286742908 WVRUEUOEWUTVLR-NRFANRHFSA-N 463.586 2.404 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Br)cc2)nnc1N1CCCOCC1 1286792272 SSKKWSPGFOBBTK-UHFFFAOYSA-N 450.337 2.149 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1286802304 SIYOJDPKAWSMKV-MGPUTAFESA-N 470.954 2.069 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC2(NC(=O)OC(C)(C)C)COC2)C1 1286814632 VCCPSRMIVASPNJ-OTWHNJEPSA-N 493.605 2.077 30 10 JEEE C=CC1(CC(=O)NCCC(=O)N2CCN(c3ccccn3)CC2)CN(C(=O)OC(C)(C)C)C1 1292374195 NVHLYXKQHMFJBT-UHFFFAOYSA-N 457.575 2.050 30 10 JEEE CCCC(=O)N[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N(C)C)C1 1293759641 FPGOCGXXEITROC-LJQANCHMSA-N 467.574 2.092 30 10 JEEE C#CCCCCn1c(N2CCN(c3nccnc3C#N)C[C@@H]2C)nnc1[C@]1(OC(C)C)CCOC1 1300377092 SAKBZUXGXLYMPZ-CPJSRVTESA-N 478.601 2.499 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCc1ncc(CC)s1)[C@@H]1CCS(=O)(=O)C1 1300495415 HHPXCPZTDUFGJR-AEFFLSMTSA-N 463.629 2.408 30 10 JEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@](C)(O)c1cccs1 1300534954 GFESWQGGWQRGLO-XMMPIXPASA-N 461.595 2.494 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1c[nH]c2cc(C)ccc12 1300579492 WBPGUQDMQLBBHG-HSZRJFAPSA-N 494.621 2.106 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2Cc2snnc2C)CC1 1300683293 ZEIRNGTYMOMZNC-UHFFFAOYSA-N 450.572 2.111 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2CCNC(=O)c2cccs2)CC1 1300728729 DXBKHAGBWFFTBV-UHFFFAOYSA-N 468.627 2.468 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1CN(C(=O)OC(C)(C)C)C1 1300915567 OMKUDHBFOWLIKT-QGZVFWFLSA-N 453.609 2.450 30 10 JEEE C=C(C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1300950562 GMOUOKMSFFGNIN-QZTJIDSGSA-N 482.651 2.487 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(N2CCCCC2)CC1 1300991383 RSMSTELZNVDFKT-LJQANCHMSA-N 451.637 2.228 30 10 JEEE C=C(Cl)Cn1c(-c2ccccc2F)nnc1N1CCN([C@@H](C)C(=O)NCCCOC)CC1 1301031037 YJEJWHIVPCEGDF-KRWDZBQOSA-N 464.973 2.500 30 10 JEEE C=CCn1c(-c2cc(F)ccc2Br)nnc1N1CCN(CC(=O)N(C)C)CC1 1301435621 GXBJMKILTTWUFQ-UHFFFAOYSA-N 451.344 2.243 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2ccc(C)c(C)c2)CC1 1301520747 NMTBHEKCAQWYLR-REWPJTCUSA-N 468.602 2.248 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC2(CC1)CNC(=O)C2 1301569048 OPCFZTMAZBYTHR-KRWDZBQOSA-N 491.589 2.265 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1301575988 OJDYJRLPGRKYCS-HOIFWPIMSA-N 491.570 2.227 30 10 JEEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccnc(OCC(F)(F)F)c2)C1 1302977692 BZIVLZXNCLCFDX-RDTXWAMCSA-N 488.467 2.007 30 10 JEEE COCCN(CCC#N)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1CCS(=O)(=O)CC1 1316101276 GECMWSIIZHUDEN-RTBURBONSA-N 467.636 2.388 30 10 JEEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1358919514 DGWZKADUWUMBIX-AEFFLSMTSA-N 456.934 2.210 30 10 JEEE C#CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1358922903 WCEGBLOTFKDTJP-LJQANCHMSA-N 473.599 2.380 30 10 JEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H]1CN(CC)c2ccccc2O1 1358929538 BZBIATSAVZMSKU-OALUTQOASA-N 457.600 2.317 30 10 JEEE C#CCCCn1c(COc2ccc(Br)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1358933969 KUOBXGCMLJFVLV-UHFFFAOYSA-N 489.418 2.243 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1Cc1conc1COC)[C@@H]1CCS(=O)(=O)C1 1358957890 CEHAMXUBGOOYTO-GOSISDBHSA-N 475.958 2.408 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1358971503 YHPUFGGROAXBAO-LJQANCHMSA-N 486.418 2.051 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H](N1CCOCC1)C(F)(F)F 1358974565 JPEJDVYXEUSWJD-FQEVSTJZSA-N 475.471 2.052 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2cccnc2)n1C[C@@H]1C[C@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1358980043 GTGJVDYJDDIDEG-FDFHNCONSA-N 476.581 2.361 30 10 JEEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1359054667 COGUALRMJCDPAC-GOSISDBHSA-N 493.637 2.301 30 10 JEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCS(=O)(=O)c2ccccc2)CC1 1359173520 IEEOMVHTFXUOAD-QGZVFWFLSA-N 481.644 2.155 30 10 JEEE C=CC1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC1 1359181441 SAAZDIWFAKBLOR-QGZVFWFLSA-N 456.513 2.066 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCCO[C@@H](c2ccccc2)C1 1359327072 RGELLLINNFMMPM-HXUWFJFHSA-N 496.593 2.494 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](Oc2ccccc2Cl)C1 1359331709 GNOPOROMHQGIKW-NVXWUHKLSA-N 479.990 2.141 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC2(CCC(F)(F)CC2)C1 1359332934 KNHYTQZETDDPLI-INIZCTEOSA-N 492.614 2.187 30 10 JEEE CC(C)n1nc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CC(=O)NCC(F)F)c2ccccc2c1=O 1360156454 AOCNIRWZHAKPHQ-JOCHJYFZSA-N 488.474 2.059 30 10 JEEE C[C@H](NC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@](F)(C#N)C1)c1ccccc1 1360644976 FCKXJXNSRVVHHL-HOIFWPIMSA-N 477.610 2.460 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1Cc1cccnc1OCC(F)F 1360677793 HEKTVOZOMVHQES-AWEZNQCLSA-N 483.545 2.106 30 10 JEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](CC)[C@H](c2ccc(C)cc2)n2cncn2)cc1 1446277989 NAEFGIREBPNABK-YADHBBJMSA-N 451.552 2.296 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)N2C[C@@H](C(=O)OC)C[C@@H](C(F)(F)F)C2)ccc1F 1453370324 LVKKJVUJYQFRJR-QWHCGFSZSA-N 452.426 2.104 30 10 JEEE C=C(Cl)C[C@H](NC(=O)[C@@H]1[C@H](C(=O)OC)[C@@H]2CC[C@@H]1N2C(=O)OC(C)(C)C)C(=O)OCC 1472608889 BYHYNIXWOAAGPW-UVPYHEFZSA-N 458.939 2.364 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H](C)CNC(=O)OC(C)(C)C 1497085686 GZEIFSGOPTZZFH-NVXWUHKLSA-N 463.583 2.086 30 10 JEEE CN(CC(C)(C)CN1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1COCCO1 1503449901 CNJGTHSVONQGFL-NRFANRHFSA-N 454.575 2.027 30 10 JEEE CS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2CCCC[C@@H]2C1 1505152133 HEKCOBJEEVCEDE-RBUKOAKNSA-N 458.588 2.294 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CCC1(F)CCC1)[C@@H]1CCS(=O)(=O)C1 1507622038 FGXSPBZRUGBOLN-QGZVFWFLSA-N 453.584 2.106 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CCC1CCC(OC)CC1)[C@H]1CCS(=O)(=O)C1 1507624901 FJJYDPQMHULBBI-VSFLDCQPSA-N 494.658 2.152 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@H](CCC)OC)[C@@H]1CCS(=O)(=O)C1 1507627512 KAHBIQNZOTZWBG-SJORKVTESA-N 451.980 2.435 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2ccccc2F)n1CC1(C(N)=O)CCOCC1 1507659784 FNEDVDKPLZIIHD-GOSISDBHSA-N 453.518 2.302 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc2c(c1)OCO2 1507711184 PQGQQVTXCUHXKG-LJQANCHMSA-N 499.568 2.450 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCCC(=O)NC2CC2)CC1 1507719587 OYDVOPFPURSGMA-GOSISDBHSA-N 454.550 2.371 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2cccnc2OCC)CC1 1507738880 GRMBQLKGBQCIAK-FQEVSTJZSA-N 452.559 2.328 30 10 JEEE C#CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 1507752215 WWEJVBQJIVTVAN-LPHOPBHVSA-N 464.613 2.416 30 10 JEEE C=CCCOCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(C(C)=O)C[C@@H]1C 1507961855 HUEQHHRIRUOSCZ-SFHVURJKSA-N 479.585 2.325 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1508081444 KFXOPFPOXSGEHT-QGZVFWFLSA-N 450.547 2.130 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CCCC(=O)N(C)C)C1 1508112537 AYXTUVFYXDLTKI-GOSISDBHSA-N 489.646 2.196 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCC2(CC1)CNC(=O)C2 1508134642 USUYRROOQNKUFA-UHFFFAOYSA-N 463.991 2.306 30 10 JEEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 1508154902 FPNVSMUDVPYFTE-UHFFFAOYSA-N 486.690 2.415 30 10 JEEE CCOC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1516087504 FKVSEZFZZPPWND-HXUWFJFHSA-N 452.559 2.459 30 10 JEEE CS(=O)(=O)c1cccc(-c2nnc(N(CCC#N)CC3CC3)n2C[C@@]2(O)CCSC2)c1 1519506259 GOJOVNBYILKAPB-NRFANRHFSA-N 461.613 2.347 30 10 JEEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N(CCO)Cc1ccc(Br)s1 1539115796 BZYXEFCBOBRDKE-CQSZACIVSA-N 452.378 2.466 30 10 JEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@](C)(O)c1ccco1 1539237765 KNGUSIRTPQQVGH-QHCPKHFHSA-N 466.567 2.120 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1nnc2n1CCCCC2 1539298832 APVBINVZMWKHFQ-XMMPIXPASA-N 451.575 2.148 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2Cc2cnn(CC)c2)CC1 1539462424 GXIALQYICMSGTG-FQEVSTJZSA-N 468.606 2.370 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2cscc2C)CC1 1539468803 ITYMATNCSSPYDC-HSZRJFAPSA-N 457.600 2.314 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1539490763 HUXJJBIDWFPVPD-GOSISDBHSA-N 461.613 2.137 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCOc2ccccc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1539642086 HQYHTBHHBQEXNY-ZRXZBVFWSA-N 470.570 2.241 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccccc2F)C[C@@H]1C 1539706506 KVXPHJQMJJMLGG-PXNSSMCTSA-N 478.594 2.041 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2nc(C)c(C)s2)CC1 1539889950 FDHLUXIQYRUVQL-SFHVURJKSA-N 480.660 2.329 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1540874684 OHFYSMQGDUKGMM-OALUTQOASA-N 452.559 2.024 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](CC)c3ccccc3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1540884021 IYFARNVXTQZLMH-ZRCGQRJVSA-N 460.600 2.151 30 10 JEEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1540916194 TVTXZOWEGQZDPB-HXUWFJFHSA-N 461.680 2.143 30 10 JEEE CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2nc(C)cc2C)CCO1 1541073725 CMUQSPJKQHNOKA-QFIPXVFZSA-N 462.558 2.062 30 10 JEEE CCc1nc(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)no1 1546368784 AGOJVLVYGYRSQG-KRWDZBQOSA-N 455.544 2.018 30 10 JEEE CCS(=O)(=O)N1CC2(CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)C[C@H]1C(=O)NC 1548380000 NVCSFDBQXTZCSE-KRWDZBQOSA-N 458.506 2.334 30 10 JEEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ncc(I)cc2C)c1 1558941753 VILKMYBSXJIRHU-UHFFFAOYSA-N 455.277 2.158 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2c(C)coc2C)c1 1587684138 SYRHVWADIKLQKK-INIZCTEOSA-N 484.582 2.203 30 10 JEEE C#CCCCCn1c(C2CCC2)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1587759542 WOFQOBDTILYKII-QRVBRYPASA-N 477.631 2.476 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@](C)(O)CCC(C)C)[C@H]1CCS(=O)(=O)C1 1588064750 OHZPSHNKGSWWLG-REWPJTCUSA-N 459.616 2.078 30 10 JEEE C#CCN(CC#CC)c1nnc(Cn2ccc3ccccc32)n1CCS(=O)(=O)NC(C)C 1588245648 MHQCYXNQUGMCSG-UHFFFAOYSA-N 452.584 2.072 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2CCCN2C[C@H](C)O[C@H](C)C2)CC1 1588872123 XEDVGFNNNQKPDW-SZPZYZBQSA-N 482.629 2.120 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC2([S@@](C)=O)CC2)CC1 1588876813 KBWUOIBUYIBOCO-RTHCMUBDSA-N 476.647 2.016 30 10 JEEE C=C(Cl)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H](CN2CCOCC2)C1 1593907834 BTPFMMWQZGYTOU-MRXNPFEDSA-N 450.996 2.181 30 10 JEEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCc1cccc(C(N)=O)c1 1594942655 CSKABXUBFDNDBE-UHFFFAOYSA-N 453.572 2.202 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1595496896 KBBWODWNMLAWDC-LJQANCHMSA-N 489.418 2.311 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 1595530116 TYCMRYWTNQMOOU-GOSISDBHSA-N 465.602 2.426 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1CCNC(=O)C1CC1 1597479119 AGLIINWLEXTGEO-AOMKIAJQSA-N 461.542 2.318 30 10 JEEE C[C@@H]1OCC[C@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1613025695 GKAUFCQDPVAHNM-NYHFZMIOSA-N 492.502 2.252 30 10 JEEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)Cn2cc(S(C)(=O)=O)ccc2=O)cc1 1613808255 HNYMWHZPXGOPJQ-UHFFFAOYSA-N 454.508 2.178 30 10 JEEE C#CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN(CCOC)C(=O)C1 1689929728 CUFMYXPZCBBELO-UHFFFAOYSA-N 474.606 2.101 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1nnc(C)s1)[C@H]1CCS(=O)(=O)C1 1689998502 NULPJIIVUOVLOF-LZLYRXPVSA-N 478.644 2.032 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1CC(=O)NCc1ccco1 1690092777 VMMJUDCDBXDHCP-UHFFFAOYSA-N 464.501 2.089 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCN2C[C@@H](C)C[C@H](C)C2)CC1 1690152359 IQRGFHFQAYEUKH-SFTDATJTSA-N 494.688 2.474 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)CCNS(C)(=O)=O 1690237805 AVPXUZPBTAUNGT-NQIIRXRSSA-N 485.614 2.302 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(CN2CCOCC2)CC1 1690278603 GYXMNVHMDVIFMT-UHFFFAOYSA-N 488.658 2.320 30 10 JEEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC(NS(C)(=O)=O)CC1 1690655273 MUGMEHAYIMQMED-INIZCTEOSA-N 454.597 2.054 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1690720345 GIIFRIFYYQSRSG-UHFFFAOYSA-N 485.614 2.048 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1690723214 LFIDACGYBQQZHA-LJQANCHMSA-N 459.620 2.432 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCC(Cn2ccnn2)CC1 1690725633 XFISJZNTVZBDCR-UHFFFAOYSA-N 491.568 2.256 30 10 JEEE C[C@H](CC#N)N(C)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1692660079 BSYNTKDMRKQSKN-IAGOWNOFSA-N 455.588 2.370 30 10 JEEE CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@@](C)(O)CCC(C)C 1696328349 DCTOVHMKVLSYIA-QHCPKHFHSA-N 458.611 2.242 30 10 JEEE COc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2Cc2cnnn2C)cc1Br 1697361101 DJCJSBKAQBYODC-GOSISDBHSA-N 461.299 2.335 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1)[C@H]1CCS(=O)(=O)C1 1705561748 WJLJPXCDWIGFEU-DYXWJJEUSA-N 486.642 2.087 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1Cc1ccc(F)cn1)[C@@H]1CCS(=O)(=O)C1 1705563861 HBXOHGSBMCIDBE-GOSISDBHSA-N 455.515 2.163 30 10 JEEE C#CCN(c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCC(C)C)[C@@H]1CCS(=O)(=O)C1 1705566989 TUKCOEQPJDRUBA-GOSISDBHSA-N 482.610 2.255 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC(C)(C)c1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1705567181 VNSRFGWDSBIPQR-FQEVSTJZSA-N 470.574 2.422 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@H]2CCOC[C@@H]2OC)CC1 1705651488 YMTAZPBHMLOSRT-GGAORHGYSA-N 481.597 2.183 30 10 JEEE C=C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCN2CCN(C(C)=O)CC2)CC1 1705761368 KIUTYDCUGAAQMQ-UHFFFAOYSA-N 465.602 2.468 30 10 JEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(-n3ccnc3)c(F)c2)CC1 1705763580 YMODHSGTAYSOCO-INIZCTEOSA-N 459.551 2.418 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@](C)(OC)C1 1705894902 NTQQFQJEIOMAHX-QFIPXVFZSA-N 460.966 2.169 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN([C@@H](C)c2cccc(OC)c2)CC1 1705903629 ZBJODFCWXXLZFK-FPOVZHCZSA-N 468.602 2.366 30 10 JEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 1705907743 WAKLZLNEEWUCME-KRWDZBQOSA-N 491.522 2.499 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1705909478 YHALLEGFBVVJCJ-QLEGRWRNSA-N 461.607 2.272 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1705931085 FEPLUESDCXJKNJ-QGZVFWFLSA-N 495.552 2.348 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H](C(N)=O)C1 1705938202 PZNKEGTZSYICKI-GOSISDBHSA-N 489.642 2.457 30 10 JEEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@@H]2CCCCO2)C1 1710345859 IDMPQJDRAGKSIT-PMACEKPBSA-N 458.588 2.294 30 10 JEEE CCOc1c(OC)cc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC(C#N)CC2)cc1OC 1710497668 CIQMKCPABMUHDN-KRWDZBQOSA-N 454.531 2.433 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2Br)n1C[C@H]1CCN(S(C)(=O)=O)C1 1722288080 VWIPTUTZHUWFKW-CABCVRRESA-N 466.405 2.447 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@H]2CCCCS2(=O)=O)CC1 1722441139 HPPHTXYVBAFANF-JOCHJYFZSA-N 471.627 2.196 30 10 JEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2ccc(CC)cc2)C1 1722451383 JMEWQLVCRIYEQL-YLJYHZDGSA-N 477.656 2.395 30 10 JEEE C=CC1CCN(c2nnc(CCN3CCN(c4ccccc4)CC3)n2CC(=O)NCC(F)F)CC1 1722579621 RTXVDIWQCVZZHH-UHFFFAOYSA-N 487.599 2.427 30 10 JEEE C=C(Cl)Cn1c(Cc2csc(C)n2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1722585449 XCIDBCOVQNFLQY-UHFFFAOYSA-N 458.979 2.207 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)c2ccsc2)CC1 1722694127 MEKWMBHZKORLLU-UHFFFAOYSA-N 461.551 2.143 30 10 JEEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N(C)Cc1cc(OC)ccc1Br 1722701794 DVIBIGOWORXACR-UHFFFAOYSA-N 491.390 2.110 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CCNC(=O)C(C)C)C1 1722710477 JMUHUEPDNFTGIV-GOSISDBHSA-N 489.646 2.100 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1722732266 XEZQXZZFVVAMFC-MOPGFXCFSA-N 476.555 2.189 30 10 JEEE C=CCSCCn1c(-c2cccn2C)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1722736532 ZNCKFTOGHVRYNZ-KRWDZBQOSA-N 452.650 2.311 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCOC3(CCCCC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1722736876 LHXHGRXTIAGMBI-HSZRJFAPSA-N 482.647 2.459 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCS(=O)(=O)CC1CC1 1723771779 HSBPOMNIHLZGHZ-AWEZNQCLSA-N 455.544 2.157 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccnc1OCC(F)(F)F 1723910830 GEAIQMQHLBZRRY-QWHCGFSZSA-N 475.497 2.011 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2Cc2cnn(CCOC)c2)c1 1740562613 LVYYDNGXOMIYBQ-UHFFFAOYSA-N 470.537 2.288 30 10 JEEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ncc(CC)s1)[C@H]1CCS(=O)(=O)C1 1740616854 IBBUFXCLRKNQNB-HTAPYJJXSA-N 493.655 2.013 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1Cc1nnc(CC)s1)[C@@H]1CCS(=O)(=O)C1 1740621664 YKMPFEMSALYDMP-CQSZACIVSA-N 478.003 2.082 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H]1CCCCN1CCCC)[C@@H]1CCS(=O)(=O)C1 1740622370 BXFPKYMMQMTVPK-WOJBJXKFSA-N 471.631 2.016 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1740645402 MFJOFFAZHGTGBF-YUMYIRISSA-N 487.670 2.474 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCCNC(=O)OC(C)(C)C)CC1 1740704165 JCWKEHRJXKQCEQ-UHFFFAOYSA-N 469.590 2.164 30 10 JEEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@]2(CC=CCC2)C1 1740716950 FILBCKZCXKPPFL-DENIHFKCSA-N 479.672 2.304 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1COCC 1740732010 OSNBIIBRVSEZJB-ZJSXRUAMSA-N 487.626 2.188 30 10 JEEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC2(CC1)C(F)(F)C21CC1 1740787254 FIURNZINGBPNRN-HNNXBMFYSA-N 459.563 2.497 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1740988644 LJEPUWCGPOCLHX-DLBZAZTESA-N 451.980 2.457 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1 1740994035 HLJPQNRLQWTDIY-UHFFFAOYSA-N 478.018 2.447 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1740994950 WTLGWVJHINEXCV-KRWDZBQOSA-N 465.645 2.224 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@H](C)N2CCOCC2)CC1 1748976786 AHEORJWHZCIOAH-VQTJNVASSA-N 456.566 2.033 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCc2csc(C)n2)CC1 1749003414 JEAMNDZZYHWWCS-XMMPIXPASA-N 486.642 2.292 30 10 JEEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1749024550 UYLXIMPXFAVXGK-FXAWDEMLSA-N 455.584 2.386 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)Oc1ccc(F)cc1 1749066036 GIPDKHFCRRWOLB-KPDCDPCYSA-N 491.589 2.210 30 10 JEEE C=C(Br)Cn1c(CC)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1749103876 GDUVSGLAYHIQTO-UHFFFAOYSA-N 454.394 2.401 30 10 JEEE C=CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1749414981 LCONMVKYTDMYLF-HXUWFJFHSA-N 490.586 2.450 30 10 JEEE C=CCCOCCn1c(C2CCCC2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1749456466 GBCFKYRSTFUNCI-UHFFFAOYSA-N 472.634 2.469 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCN(Cc2cscn2)CC1 1749681068 WJULYKNPOBVRDL-UHFFFAOYSA-N 471.562 2.077 30 10 JEEE C=CCS(=O)(=O)CCn1c(CSc2ccccc2OC)nnc1N1CCN(C(=O)OC)CC1 1749739464 BYLDVQKKCHXUIM-UHFFFAOYSA-N 495.627 2.068 30 10 JEEE Cc1ccc(C(C)C)c(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCS(=O)(=O)NC(C)C)c1 1751447303 FHVOFJUVDMOVEG-LJQANCHMSA-N 490.630 2.346 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1760104975 KGTFXWNUXRXAFC-QFBILLFUSA-N 489.506 2.032 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCN(c2ccccc2F)C1 1760209868 ISQSIRNVSFWPJI-RBUKOAKNSA-N 472.590 2.017 30 10 JEEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCCCS1(=O)=O 1760235278 IBLYTFOJOBUICY-ZWKOTPCHSA-N 481.619 2.013 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1CCC(=O)NC(C)(C)C 1760243399 IQISDJJERVCCJU-UHFFFAOYSA-N 454.550 2.484 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H](C)N1CCC(C)CC1 1760247869 STJOZZAZSBHUMU-HXUWFJFHSA-N 477.613 2.398 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCc2cn[nH]c2)CC1 1760265638 GJNVTJMLRNQCDR-QGZVFWFLSA-N 465.533 2.489 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CCCN2CCCCCC2=O)CC1 1760271779 LRVLNNDRRCGIFA-UHFFFAOYSA-N 477.613 2.022 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CCN2[C@@H](C)CC[C@@H]2C)CC1 1760517758 XDRVRSFVSIFNMX-PMACEKPBSA-N 496.616 2.150 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCN(CC(C)C)C(=O)C2)cc1 1760529818 LIJVXSLBHMHXFX-FQEVSTJZSA-N 452.559 2.147 30 10 JEEE C=CCOc1ccc(Cn2c(N(C)[C@@H]3CCS(=O)(=O)C3)nnc2[C@@]2(OCC)CCOC2)cc1 1760531334 LTODDWBATYZATO-AUSIDOKSSA-N 476.599 2.167 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CCN(c2cccnn2)CC1 1760552521 QUKRTPAGEUJSRC-UHFFFAOYSA-N 473.990 2.316 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1CCN(CCN(C)C)CC1 1761360177 HKDNSDBBCGMNCP-IBGZPJMESA-N 491.644 2.204 30 10 JEEE CC(C)C(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1763043205 ALMNLZAPPMJFOI-SFHVURJKSA-N 465.606 2.459 30 10 JEEE CCN(c1nnc(COc2ccc(C#N)cc2)n1Cc1cnn(CC)c1)[C@H]1CCS(=O)(=O)C1 1764823099 GKBBXMLHVAWANL-IBGZPJMESA-N 469.571 2.007 30 10 JEEE CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1766382962 GVIGTYGJYJTICQ-HXUWFJFHSA-N 481.601 2.196 30 10 JEEE COCC[C@@](C)(O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1769566040 ARHWJPGBTYGBRD-RCZVLFRGSA-N 479.585 2.377 30 10 JEEE COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CCCN2CCOCC2)ccc1O 1862630223 OYVDIAFIIAZCCJ-QHCPKHFHSA-N 496.516 2.430 30 10 JEEE C=CCOc1ccccc1[C@@H]1C(C(=O)NCCCO)=C(N)Oc2c1c(C)nn2-c1ccccn1 1864318622 AUMRPUATTTZVPF-NRFANRHFSA-N 461.522 2.334 30 10 JEEE C=CCN(CC=C)C(=O)[C@H](Cc1ccc(OC(C)=O)cc1)NC(=O)CC[C@H]1CCS(=O)(=O)C1 1868813085 BXIDWKYMEBOVOU-UNMCSNQZSA-N 476.595 2.055 30 10 JEEE Cc1nc(SCc2cc(=O)c(OCc3n[nH]c(=N)s3)cn2CCO)c(C#N)c(C)c1C 1870307071 ICSKXWIUYFNTCU-UHFFFAOYSA-N 458.569 2.168 30 10 JEEE C=CCN(CC=C)c1nc(=NCCN2CCOCC2)[nH]c(=Nc2ccc(OC)c(Cl)c2)[nH]1 1871677878 WPNXCSVMFKARKR-UHFFFAOYSA-N 459.982 2.044 30 10 JEEE N#Cc1cccc(NC(=O)CCCC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1 1873867749 WUDDEMJFALVFIY-UHFFFAOYSA-N 458.515 2.339 30 10 JEEE COCc1nnc(SCC(=O)NCc2ccco2)n1/N=C/c1cc(OC)c(OC)c(OC)c1 1874500930 HIEPXRXUPSWADG-AUEPDCJTSA-N 475.527 2.334 30 10 JEEE CC(C)(C)OC(=O)NCCCNS(=O)(=O)c1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2255934233 ZKOIRYGSTUMGEB-UHFFFAOYSA-N 458.361 2.318 30 10 JEEE C[C@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2256624672 OPKVGGSTIWRECF-HEHGZKQESA-N 454.398 2.499 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCOC[C@@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2256641862 ZEZPFLKABZPNRZ-QWHCGFSZSA-N 453.370 2.311 30 10 JEEE CC(C)(C#CC(=O)NCC(F)(F)C1(O)CN(C(=O)OC(C)(C)C)C1)NC(=O)OC(C)(C)C 2260116434 CCXKGPQBDFGLAQ-UHFFFAOYSA-N 461.506 2.026 30 10 JEEE Cc1csc(C(=O)N[C@]2(CO)CCN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267158461 CICGTPYWXLNHTK-JOCHJYFZSA-N 466.409 2.457 30 10 JEEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1nn(C)c(Cl)c1B1OC(C)(C)C(C)(C)O1 2267179477 QPEPKWNFZMHHPR-OLZOCXBDSA-N 468.791 2.358 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NCCOCCNC(=O)OC(C)(C)C 2267595204 CUUOAFIKIBOHGU-UHFFFAOYSA-N 451.373 2.078 30 10 JEEE COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)O 2268641642 BXTCFFDWSHGTTD-CXAGYDPISA-N 450.341 2.207 30 10 JEEE Cn1cc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C23CCC3)c(B2OC(C)(C)C(C)(C)O2)n1 2281962612 BFFVVFZRASNNTP-INIZCTEOSA-N 460.384 2.381 30 10 JEEE CC(C)(C)OC(=O)N1[C@H](CNC(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)C[C@@H]2COC[C@H]21 2282195511 NQLINHICXMMSIT-HLLBOEOZSA-N 462.352 2.333 30 10 JEEE C[C@H]1CCN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C[C@H]1NC(=O)C(F)(F)F 2282496443 AXLXFRBOEOLMAS-GXTWGEPZSA-N 496.382 2.266 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1C[C@@H](NC(=O)C(F)(F)F)C[C@@H](C)C1 2282682510 POMRZXALIVUNMQ-HIFRSBDPSA-N 457.302 2.336 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@H](CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2O)C1 2282883571 CAWDAWRZTGAXNP-MRXNPFEDSA-N 462.352 2.057 30 10 JEEE C[C@@H](NC(=O)c1cn(C)[nH]c1=NC(=O)OC(C)(C)C)c1nscc1B1OC(C)(C)C(C)(C)O1 2283965133 VXTBNJNUMBOFCU-GFCCVEGCSA-N 477.396 2.436 30 10 JEEE Cn1cc([C@H](NC(=O)OC(C)(C)C)C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)cn1 2283966499 XDPKVWMXNKMMNP-HNNXBMFYSA-N 477.396 2.058 30 10 JEEE CN(CCNC(=O)OC(C)(C)C)CC(=O)N1Cc2cccc(B3OC(C)(C)C(C)(C)O3)c2C1 2284046384 AGADVYJADMAUQA-UHFFFAOYSA-N 459.396 2.285 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCC[C@@H](NC(=O)C(F)(F)F)CC2)n1 2286112991 FHHHZPSCGOAPIB-CQSZACIVSA-N 455.286 2.362 30 10 JEEE CN(C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)[C@H]1CN(C(=O)OC(C)(C)C)CC12CC2 2287017233 QWHCMKBGIIVOFK-HNNXBMFYSA-N 458.368 2.247 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@@H](OCCNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2289954920 DTLWCDVAHDCYGQ-QGZVFWFLSA-N 463.384 2.460 30 10 JEEE CO[C@H](CNC(=O)OC(C)(C)C)CNC(=O)c1c(C)nsc1B1OC(C)(C)C(C)(C)O1 2317603724 SOBRVYPXOHKKFC-ZDUSSCGKSA-N 455.386 2.020 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2CC[C@@]1(C(=O)N=c1nc(B3OC(C)(C)C(C)(C)O3)[nH]s1)C2 2334388509 XQAXWOWJWNTHKG-OYMPBJRDSA-N 464.397 2.281 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2C[C@H]1C[C@H]2NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2359267261 XKTXWCGZOSKVGE-DIECFANBSA-N 458.368 2.197 30 10 JEEE CCn1cc(C(=O)N[C@H]2C[C@@H]3[C@H]2CCN3C(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2359268500 SCQGYJAXJXSLEZ-YQQAZPJKSA-N 460.384 2.330 30 10 JEEE Cn1cnc(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 2362449889 ZWKGFWYNVSYLRI-YHUYYLMFSA-N 460.384 2.141 30 10 JEEE COc1[nH]c(=N[C@@H]2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2365348900 WQHKQOQLNJXCLV-HZPDHXFCSA-N 463.384 2.296 30 10 JEEE CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CCOCCO)[C@H]2c2ccc(C(=O)OC)cc2)cc1 102598229 LSCPMHWBSIKVMS-AGGMBTAESA-N 469.490 2.303 30 10 JEEE C#CCN1C(=O)[C@@H]2[C@H](c3ccc(OCCC)cc3)N[C@@](Cc3ccc([N+](=O)[O-])cc3)(C(=O)O)[C@@H]2C1=O 253371487 BLBAVPQFNCLJSN-OYSWMMLKSA-N 491.500 2.328 30 10 JEEE COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CON=Cc1ccc(OC(F)F)cc1 254836040 CQUNMSCHPMVYGG-UHFFFAOYSA-N 499.492 2.307 30 10 JEEE CCOc1ccc(/C=C/C(=O)[C@@H]2C[C@H](NC(=O)CN3C(=O)c4ccccc4C3=O)CCN2)cc1 585824522 SQDOYNVERGJHRM-GQTKUEMJSA-N 461.518 2.201 30 10 JEEE CC(C)(C)OC(=O)NC1CCN(CC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 1154116473 GEGFHEKVMUABOF-FQEVSTJZSA-N 455.559 2.159 30 10 JEEE C#C[C@H](NC(=O)c1ccc(S(=O)(=O)NC[C@@H](C)O)cc1)c1ccc(Br)cc1 1159634699 QTFRIPRXBGTVMN-ACJLOTCBSA-N 451.342 2.213 30 10 JEEE N#Cc1c(Cl)cccc1S(=O)(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)C(F)(F)F)CC1 1211845987 GQKVLOHBDOFYOU-ZBFHGGJFSA-N 465.881 2.448 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC1(O)CC(OCC)C1 1286289970 NPPIOQSHSSGEEW-ZEQOPOFZSA-N 464.570 2.453 30 10 JEEE C#CCCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1286316159 SJQCUQNHKMUOOD-IBGZPJMESA-N 456.568 2.393 30 10 JEEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1286337909 ACKMTLMELDVGRU-OAHLLOKOSA-N 451.980 2.144 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1CCOc1ccc(Cl)cn1)[C@@H]1CCS(=O)(=O)C1 1286387076 NPDYPQINVUAOKI-QGZVFWFLSA-N 474.974 2.038 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@H]1CCCCN1CC)[C@H]1CCS(=O)(=O)C1 1286389115 FWHHTLNCOFQJFX-UXHICEINSA-N 456.616 2.150 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1Cc1cc(Cl)ccc1OC)[C@@H]1CCS(=O)(=O)C1 1286389943 TXRDGEAZEAMFSF-QGZVFWFLSA-N 472.958 2.072 30 10 JEEE C#CCN(CC#CC)c1nnc(COc2cc(C)ccc2C)n1C[C@H]1CCCN1S(C)(=O)=O 1286434170 ULQVULVHXOLYMR-OAQYLSRUSA-N 469.611 2.361 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccn2C)nnc1N1CCC(C(=O)NCCOC)CC1 1286561485 NTMCUBBOPZHIIW-PZJWPPBQSA-N 456.591 2.244 30 10 JEEE C=C(Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1)c1ccccc1 1286614869 CZRNSGJDGRMZPL-FQEVSTJZSA-N 486.642 2.335 30 10 JEEE C=CCC(C)(C)Cn1c(-c2ccccc2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1286667621 KQCVLTDNDBQQHA-UHFFFAOYSA-N 464.574 2.014 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC)nc1 1286746298 VBPLBTVIQLJOCU-OAQYLSRUSA-N 498.609 2.256 30 10 JEEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 1286789750 KJCUZXAKJKXQMQ-HXUWFJFHSA-N 478.663 2.144 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1286795548 CGNFSNCLTSJQAO-SFHVURJKSA-N 461.588 2.043 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2nccc(C(F)F)n2)C1 1286798742 NVQJZXQGOMJWMI-CQSZACIVSA-N 456.457 2.483 30 10 JEEE CC(C)(C)C(=O)NCCn1c(Cc2ccccn2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1286985762 CEULQQIJIDNZJU-UHFFFAOYSA-N 473.585 2.019 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 1300269130 ZURRYZNAVZLVOA-XLIONFOSSA-N 450.543 2.138 30 10 JEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(Cc2ccc(OC)cc2)C(=O)C1 1300364491 KTEYPRPNTVUUFR-OAQYLSRUSA-N 499.637 2.231 30 10 JEEE C#CCCCn1c(-c2ccccc2OC)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1300401202 PYHOGVJVRHRZIA-UHFFFAOYSA-N 478.597 2.307 30 10 JEEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1CC(F)(F)CNC(=O)OC(C)(C)C 1300456101 UQRBYLOXFQLYAH-UHFFFAOYSA-N 452.462 2.235 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCN(C(C)C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1300493201 SKBLPSNJJFFMRW-HXUWFJFHSA-N 458.632 2.394 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1Cc1ccc(OC)nc1OC)[C@@H]1CCS(=O)(=O)C1 1300498866 NQYQLXYUEVQQHZ-HXUWFJFHSA-N 499.568 2.095 30 10 JEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](C)N1CCC[C@H](C)C1 1300527049 AIZXLQZIQOLPMQ-PMACEKPBSA-N 467.643 2.431 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@](C)(O)C1CC1 1300663789 ISNDCOLXLWIEQP-VWLOTQADSA-N 464.570 2.483 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccc(OC)cc2F)CC1 1300710577 HGTCZQANEOGYNA-UHFFFAOYSA-N 484.576 2.358 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@](C)(O)C2CCCCC2)CC1 1300729316 VNVYBLIFAJBSPG-AREMUKBSSA-N 481.645 2.437 30 10 JEEE C=CCn1c(CCOc2ccccc2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1301467542 YHEHDNRLZXXPRJ-OFNKIYASSA-N 452.603 2.465 30 10 JEEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1301502649 NWHSBYJFLFDJCJ-UHFFFAOYSA-N 489.596 2.453 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN(C(=O)OC(C)(C)C)C2CC2)C1 1301557444 PAUDRVIQKMHWFR-IEBWSBKVSA-N 495.646 2.361 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@]2(C)CN(C)C2=O)C1 1301566627 AFXDAICFANEKKB-NDBKNAECSA-N 474.606 2.308 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC(=O)N1CCOCC1 1301967469 DNVIIMJOIIIQCJ-RBUKOAKNSA-N 489.621 2.237 30 10 JEEE Cc1ccc(Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CC[C@@](F)(C#N)C2)c(=O)n1C 1304346859 CUCHXZXVGMYLPM-HSZRJFAPSA-N 483.935 2.359 30 10 JEEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@]1(O)CCS(=O)(=O)C1 1358896412 CSAVOPJQLVKOHC-FDDCHVKYSA-N 460.600 2.296 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CC1(CCOC)CC1)[C@@H]1CCS(=O)(=O)C1 1358957971 DZDLMMJHZAVEJA-LJQANCHMSA-N 458.584 2.397 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H](c1cccc(OC)c1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1358967261 GXSZYTWJHVFLRM-CEMLEFRQSA-N 487.626 2.068 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCS(C)(=O)=O 1358993635 SLVNAWRSFXXZTC-IBGZPJMESA-N 477.631 2.290 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CC[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)CC1 1359028509 VBAWABWDDBJOJF-LADGPHEKSA-N 477.657 2.472 30 10 JEEE C#CCN1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2C[C@H](C)SC)CC1 1359031048 OKJVGLXVQZNPJM-INIZCTEOSA-N 461.661 2.053 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2Cc2ccccc2OCCN(C)C)CC1 1359040834 HJAYNDBYVWRLRH-UHFFFAOYSA-N 452.603 2.356 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCNC(=O)C(C)(C)C)CC1 1359042818 VHPIOLHYVZINGB-UHFFFAOYSA-N 496.612 2.090 30 10 JEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(F)(F)F)CC1 1359216503 XMNFQRYBRZBXOA-OAHLLOKOSA-N 451.515 2.356 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(Br)c3)n2CCCNS(C)(=O)=O)C1 1359312734 ADPKLJQHGLZVJA-KRWDZBQOSA-N 484.420 2.428 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N(C)Cc1cc(C)on1 1359333529 AOLZSGZMWFRPPW-UHFFFAOYSA-N 455.544 2.050 30 10 JEEE C#CCn1ccc(CN(CCOC)C(=O)[C@H]2CCN(c3cccc(Br)c3)C2=O)n1 1448857817 JNYOYSPFDURCOY-LJQANCHMSA-N 459.344 2.307 30 10 JEEE CS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1Br 1460530382 DJLVMCPDKCWOHH-CQSZACIVSA-N 450.314 2.413 30 10 JEEE CCS(=O)(=O)NCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[C@](C)(C#N)C1 1503279854 CVCSYPUQUFZEKI-JOCHJYFZSA-N 492.602 2.040 30 10 JEEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1c(C)sc(C)c1Br 1507601389 POHKUIYKDVVTDU-JTQLQIEISA-N 460.423 2.447 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(Br)s2)n1CCNC(=O)c1cc[nH]n1 1507664892 WTCWWUHTNXHUKZ-UHFFFAOYSA-N 472.372 2.385 30 10 JEEE C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1508050383 YHOLNSMQKSNCDT-KDOFPFPSSA-N 462.396 2.211 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1508072761 KFSHEKLEECOGDP-KRWDZBQOSA-N 456.547 2.359 30 10 JEEE C=CCNC(=O)Cn1c(N2CC[C@@H](Oc3ccccn3)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1508097263 HAURLNYXYQUMHE-CEXWTWQISA-N 497.600 2.404 30 10 JEEE C[C@@H]1OCC[C@@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1512577691 HKSDSFZRDBQBER-WVFSIPRWSA-N 498.584 2.087 30 10 JEEE CC[C@]1(C)CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CCO1 1513576534 HRENKWQTUYPANQ-XMSQKQJNSA-N 458.588 2.104 30 10 JEEE N#Cc1ccnc(N2CCN(c3nnc(CN4CCCC4=O)n3CCCC(F)(F)F)CC2)c1 1521109428 AUXXCNMCQYHARG-UHFFFAOYSA-N 462.480 2.336 30 10 JEEE C#CCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1539134416 WLLUXZJTEKYXQR-UHFFFAOYSA-N 472.977 2.097 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1COCCO1 1539324830 XWHJSSRZVCZFOF-VQTJNVASSA-N 457.575 2.271 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2Cc2conc2COC)CC1 1539488651 CRWCQXWPFDMTNL-UHFFFAOYSA-N 482.516 2.145 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccccc2OC)nnc1N1CCN(CCOC)C(=O)C1 1539637778 SVPNUPYWIUZCNP-GBXCKJPGSA-N 469.586 2.154 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2ccccc2C)C1 1539706826 VBRWDSHJDVWJOQ-UXHICEINSA-N 461.588 2.073 30 10 JEEE C=C(Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOC(C)C)CC1)c1ccccc1 1539766545 AATZPKVWEBGQPC-QFIPXVFZSA-N 473.643 2.441 30 10 JEEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](c2ccc(F)cc2)C1 1540038341 ZTSKCLYSJAXIOM-TZIWHRDSSA-N 493.605 2.337 30 10 JEEE C=CCn1c(-c2ccc(Br)s2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1540855434 SSSVMAMVLKQYEL-UHFFFAOYSA-N 451.350 2.476 30 10 JEEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCCC[C@@H](C)C1 1540863959 KOSHNAYQFWGEJV-MRXNPFEDSA-N 459.620 2.475 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(Br)cc3)n2C[C@]2(O)CCN(C)C2)C1 1540895147 MFSPPVKZMLGULJ-KNQAVFIVSA-N 492.418 2.468 30 10 JEEE C=CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1540913620 PGDKAGJTZCJRMK-AWEZNQCLSA-N 460.585 2.136 30 10 JEEE CCOc1cc(Br)c(NC(=O)CCn2cc(C#N)c(O)nc2=O)cc1OCC 1542285202 HKEAGLMGDQPOON-UHFFFAOYSA-N 451.277 2.409 30 10 JEEE C#CCN1CCC[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc(C)cc2)C1 1558329193 MLTCCJPTPUFUSD-ISKFKSNPSA-N 451.592 2.324 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCCC(=O)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1588040114 IGZYREKBVJFONP-SFHVURJKSA-N 493.033 2.269 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCCN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1588065305 WMUPXLQENLCLOV-FQEVSTJZSA-N 476.672 2.137 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(CN2CCC(O)CC2)cc1 1588186030 QDLGVAWEDDNUNX-MUUNZHRXSA-N 491.636 2.398 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCN1CCC[C@@H](C)C1 1588628401 IAKMHXBAMKGWAR-HXUWFJFHSA-N 477.613 2.493 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2CCCN2C[C@H](C)O[C@@H](C)C2)CC1 1588872125 XEDVGFNNNQKPDW-VXKWHMMOSA-N 482.629 2.120 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC[C@H]2CCO[C@@H](C)C2)CC1 1588885682 YIIYRVUTCCIWRX-OALUTQOASA-N 479.585 2.096 30 10 JEEE C#CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C)C(=O)[C@H]1C 1589126049 VYNCAZHEEZMPRU-SJORKVTESA-N 462.620 2.383 30 10 JEEE C#CCSCCn1c(N2CCn3nc(C)nc3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1589126072 WSJWZJJDHDHMKO-CALCHBBNSA-N 472.619 2.335 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N(CCO)Cc1cc(Br)ccc1F 1595522251 AIFGBAUGZKFRQO-UHFFFAOYSA-N 477.338 2.476 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCOC(C)(C)[C@@H]1C 1595537524 SDSYAMARRKBONE-KRWDZBQOSA-N 479.585 2.371 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)Cc1c(C)noc1C 1595789417 SIWSOGSQPAORLZ-UHFFFAOYSA-N 483.554 2.436 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 1595812492 VWQKWNXNZKQJMS-IEBWSBKVSA-N 490.630 2.214 30 10 JEEE CCN(CCn1c(-c2ccc(C#N)cc2)nnc1N(C)CCNS(C)(=O)=O)C(=O)OC(C)(C)C 1615633526 DBZOATWJKQLILB-UHFFFAOYSA-N 491.618 2.059 30 10 JEEE CCNC(=O)C(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1615908707 HTZUSLQRNHOLAR-GOSISDBHSA-N 499.019 2.243 30 10 JEEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCCO[C@H](C)C2)C[C@H]1C 1619937174 BWBBWVBNOYXTSL-FGZHOGPDSA-N 481.645 2.475 30 10 JEEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCC[C@H]2C)C[C@@H]1C 1619951655 HQFLYWRPXVSQMN-RTWAWAEBSA-N 467.618 2.370 30 10 JEEE N#Cc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCn2cc(Br)cn2)cc1 1620350526 HWXFKRZAMBHZFE-QGZVFWFLSA-N 453.304 2.205 30 10 JEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(Cc3cc(OC)cc(OC)c3)CC2)c1 1635327667 YLYHPLZLAKGXNY-UHFFFAOYSA-N 456.564 2.459 30 10 JEEE C=CC[C@H]1CCCC[C@@H]1NCC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 1659401882 XEKJPRWYADFHQR-HKUYNNGSSA-N 451.589 2.379 30 10 JEEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)c1ccc(CC(=O)OC)cc1 1665506250 GEUAYXAHORCGFF-UHFFFAOYSA-N 450.557 2.426 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CC1(CS(C)(=O)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1689984758 UZQIMEVNEQURPG-GOSISDBHSA-N 497.042 2.050 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@@H](C)CN1CCN(CC)CC1)[C@@H]1CCS(=O)(=O)C1 1689986459 QLDZKKBPXDABSB-JTHBVZDNSA-N 498.697 2.154 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CCc1nc(C)c(C)s1)[C@H]1CCS(=O)(=O)C1 1689994055 PXAUPTMRNFBAHD-IBGZPJMESA-N 470.624 2.207 30 10 JEEE C#CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(C(=O)C(C)C)CC1 1690171030 UUJNPTRXDSBCBX-UHFFFAOYSA-N 465.583 2.265 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1-c1cnn(C)c1 1690190203 OAKQVHUORYLYFQ-UZUQRXQVSA-N 467.599 2.329 30 10 JEEE C=C(Br)Cn1c(N2CCN(c3cnn(C)c3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1690234388 CHPPIZKNEDFEHY-HXUWFJFHSA-N 480.411 2.287 30 10 JEEE C=C(C)COCCn1c(N2C[C@H](C)O[C@@]3(CCOC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1690320550 WWTFEBNZWPVWBU-AJSBUHFISA-N 450.580 2.296 30 10 JEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](OC)c1ccc(Cl)cc1 1690528191 XUILTBXQTAXQNO-QZTJIDSGSA-N 469.995 2.274 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccccc3OC)n2CC2CCS(=O)(=O)CC2)C1 1690711483 BGCDARBXFVQVJQ-LJQANCHMSA-N 476.599 2.472 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCS(=O)CC1 1690715761 UBRZBVCKLFGWGM-OAHLLOKOSA-N 473.020 2.241 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1C[C@H](C)O[C@H](COC)C1 1690717870 SNWRILCHETUTOA-HKUYNNGSSA-N 486.598 2.176 30 10 JEEE Cc1ccc(S(=O)(=O)NCCn2c(-c3ccc(C#N)cc3)nnc2N2CCCOCC2)s1 1693159022 BPAZYQQBPFTLQQ-UHFFFAOYSA-N 472.596 2.392 30 10 JEEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2CCCCC2)CC1 1696501463 GCQYPQDACSBRNQ-UHFFFAOYSA-N 471.631 2.211 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@H](C)CN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1705562528 DUUQJFSLIHBCJJ-IEBWSBKVSA-N 477.034 2.352 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 1705568279 KCEDIPZJSAFSSG-FQEVSTJZSA-N 473.002 2.468 30 10 JEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN1CCC[C@@H](C)C1 1705580474 JOKXONHQNYOBAW-LJQANCHMSA-N 453.616 2.043 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCC2(C1)OCCO2 1705619162 JBPQWLOAMIEDAU-IEBWSBKVSA-N 491.589 2.210 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCOc2ccccc2C)CC1 1705632494 RTUPJCBEPNEJGY-UHFFFAOYSA-N 459.554 2.458 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2Cc2cc(C)no2)CC1 1705643412 FIKCHLWZQLIBOJ-IBGZPJMESA-N 455.563 2.450 30 10 JEEE C#CCSCCn1c(COc2ccccc2OCC)nnc1N1CC[C@]2(CCC(=O)N2)C1 1705666527 VJFIFGZBTMRLQZ-HSZRJFAPSA-N 455.584 2.481 30 10 JEEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1705798807 BODQQFMDXXRADQ-OAQYLSRUSA-N 471.650 2.393 30 10 JEEE C=CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)CCN1CCOC(C)(C)C1 1705889519 BLTISTOPTLZHEY-UHFFFAOYSA-N 451.575 2.408 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1705906389 CJPILOKGDKEGJV-NRFANRHFSA-N 482.629 2.466 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1705937613 YZHZBTLAFRHRSG-HXUWFJFHSA-N 454.600 2.392 30 10 JEEE C[C@@H]1CN(CCCn2c(CN3CCCC3=O)nnc2N(C)Cc2ccc(C#N)cc2)C[C@@H](C)O1 1708248827 HUBRPRFKEZXQNT-WOJBJXKFSA-N 465.602 2.408 30 10 JEEE CCN1CCN(C[C@H](C)Cn2c(-c3nn(C)c(=O)c4ccccc34)nnc2N(C)C[C@@H](C)C#N)CC1 1710295441 HWBSQKPHWIZNPP-PMACEKPBSA-N 491.644 2.061 30 10 JEEE COC1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@@](C)(C#N)C2)CCCCC1 1711627789 HEBASPUJFPMNGH-RXVVDRJESA-N 480.635 2.090 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C(F)F)c1 1722296678 UDULPLLXIDNSMQ-PBHICJAKSA-N 453.515 2.055 30 10 JEEE C#CCCCn1c(-c2cccn2C)nnc1N1CCCN(Cc2nc([C@H](C)OC)no2)CC1 1722331318 COUNSMGGFLHOBX-SFHVURJKSA-N 452.563 2.500 30 10 JEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1722346187 OQTSTACNDRXWMR-OALUTQOASA-N 488.658 2.153 30 10 JEEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1CCc1cccc(C)n1)[C@H]1CCS(=O)(=O)C1 1722370249 MLGCUUFEVJEQNN-NRFANRHFSA-N 495.605 2.439 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H](CC)OC)[C@@H]1CCS(=O)(=O)C1 1722370331 NETBVBZMQKHGCX-QRVBRYPASA-N 495.646 2.402 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(S(C)(=O)=O)CCC1 1722380940 CRYWGCSFNSZSPC-IBGZPJMESA-N 489.642 2.433 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1722392137 IBZAJSHAPSGJIH-PKTZIBPZSA-N 476.606 2.484 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C(F)(F)F)cc1 1722413706 QBBNZOGPUZUPQX-QGZVFWFLSA-N 471.505 2.138 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2CC[C@@H](N2CCOCC2)C(F)(F)F)CC1 1722445424 XPIBTNMDEAZCRZ-IEBWSBKVSA-N 484.567 2.411 30 10 JEEE C=C(Br)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1722479178 CQWFNLBSWFTQDL-GJZGRUSLSA-N 483.344 2.371 30 10 JEEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1722627051 IVWSYGJMQZDBJI-HXUWFJFHSA-N 455.559 2.433 30 10 JEEE C=CCN(CCOC)c1nnc(-c2cnn(C)c2)n1C[C@@H]1C[C@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1722678152 UNUBSDXORKQULQ-IHPCNDPISA-N 487.605 2.342 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1Cc1ccc(N2CCCCCC2)nc1 1723912085 IETVFJSKQQWULE-ROUUACIJSA-N 474.635 2.450 30 10 JEEE CCOC(=O)N[C@H](CC(C)C)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C(N)=O)C1 1728703952 GYEWOKFEEAJRTM-RTBURBONSA-N 453.547 2.289 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cc2ccccc2o1 1740589704 AMQDCGJNLRCUPI-FQEVSTJZSA-N 457.556 2.407 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1nc(C)c(C)s1)[C@H]1CCS(=O)(=O)C1 1740624944 LKLYCPXSISMAPT-SFHVURJKSA-N 456.597 2.012 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@H]2OCC[C@H]2C)CC1 1740707858 SSDWTLLLMUKXHV-XMSQKQJNSA-N 467.570 2.257 30 10 JEEE C#CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1740711292 KEGHETBEYJRODQ-HSZRJFAPSA-N 468.583 2.135 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCN(CC(C)C)C(=O)C2)nnc1[C@@]1(OCC)CCOC1 1740765632 AZNRRUZZPVOUOP-NHCICSSKSA-N 461.607 2.216 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2cc(C)nn2C)C1 1740979909 GWHZHVDBAPLRRO-PMACEKPBSA-N 487.605 2.458 30 10 JEEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H](C)NC(=O)OC(C)(C)C 1748784890 UMASMODAPGLIOV-OAHLLOKOSA-N 451.531 2.175 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1CCCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1748820044 YDBCDFQNYUYLSP-JOCHJYFZSA-N 466.611 2.399 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CCCCCC1)[C@H]1CCS(=O)(=O)C1 1748821676 SIVVEIHXTCNYCQ-NRFANRHFSA-N 497.621 2.441 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccn2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1749127718 ORLYFXMVHSVXQD-NZQKXSOJSA-N 467.618 2.312 30 10 JEEE C=C(C)COCCn1c(COc2ccc(F)cc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1749238747 BNEIASCTBNPMST-UHFFFAOYSA-N 469.521 2.176 30 10 JEEE C=CCCOCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1749456795 ATXMLCSPPZXSOU-OAQYLSRUSA-N 457.550 2.428 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[C@]2(CCC(=O)N2)C1 1749726100 XKNMZCSNVDFXON-OPAMFIHVSA-N 477.562 2.017 30 10 JEEE CC(C)NS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1751002870 CMVOFBBPVFXVLJ-HXUWFJFHSA-N 469.571 2.051 30 10 JEEE C[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(C#N)C1)Oc1ccccc1 1751142585 FLODBZWOPAFMFE-XQFWAAQXSA-N 488.614 2.209 30 10 JEEE C[C@@H]1CCCN(CCn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@](C)(C(N)=O)C2)C1 1752182213 CFAHBOYHIXNHLR-KOSHJBKYSA-N 451.575 2.162 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1760109997 JGQZTVRNFXFEBI-AEFFLSMTSA-N 497.600 2.179 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@@](C)(OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1760180491 GKJNOIZDJBMBTH-OXJNMPFZSA-N 496.431 2.478 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1nc2cc(OC)ccc2n1C)[C@@H]1CCS(=O)(=O)C1 1760182499 JQCZSSHUCFBSDC-MRXNPFEDSA-N 470.599 2.146 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCS(=O)(=O)C(C)(C)C 1760193579 JEVPMMBSQKCPAW-UHFFFAOYSA-N 455.584 2.433 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@]1(O)CCSC1 1760249791 TTZGMAABSAZEOS-WZONZLPQSA-N 479.647 2.347 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H](C)N(C)C2CC2)CC1 1760254591 BUZUGKPULCNQLK-INIZCTEOSA-N 460.424 2.284 30 10 JEEE C=C(C)COCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CC(=O)N(C)[C@@H](C)C1 1760355548 NUTHKUGYVCBFFQ-SFHVURJKSA-N 479.585 2.496 30 10 JEEE C=CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](C(=O)NC)C1 1760568822 UJDCFCXBFFYLCM-DLBZAZTESA-N 480.635 2.221 30 10 JEEE COC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ccc(C#N)cn2)CC1)OC 1770760683 FKTIMVALJQKCAR-OAQYLSRUSA-N 458.526 2.071 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N(C)CC1COC(C)(C)OC1 1772660424 SEQSDSCANPFOLF-UHFFFAOYSA-N 464.588 2.390 30 10 JEEE COCCN(C(=O)C1CCN(S(C)(=O)=O)CC1)[C@H](C#N)c1cccc(Br)c1 1857960223 GHXKXQQLQBJJPI-QGZVFWFLSA-N 458.378 2.160 30 10 JEEE N#Cc1nnn(-c2ccc(F)c(F)c2)c1NC(=O)c1ccc(N2C[C@H](C(=O)O)CC2=O)cc1 1870150296 BIGRIAWUAQTBMM-GFCCVEGCSA-N 452.377 2.107 30 10 JEEE C=CCNC1=C(c2cccc(Br)c2)C(=O)N(Cc2ccc(S(N)(=O)=O)cc2)C1=O 1873053951 WYDMCBXZMQBHTN-UHFFFAOYSA-N 476.352 2.152 30 10 JEEE C=CCn1c(C(=O)N2CCC(C(N)=O)CC2)cc2c(N3CCN(Cc4ccccc4)CC3)ncnc21 1873563059 GIDRJOCBDXKTNN-UHFFFAOYSA-N 487.608 2.277 30 10 JEEE CC(C)N1C(=O)CS[C@H](C(=O)N[C@H]2CCN(C3CCOCC3)C2)[C@@H]1c1ccc(C#N)cc1 1891926032 QREBUTLBZLAZGY-VJBMBRPKSA-N 456.612 2.321 30 10 JEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C(=O)N2CC(CB3OC(C)(C)C(C)(C)O3)C2)[C@H]1OC 2140536448 VIFGLRMSSJHVLT-ZACQAIPSSA-N 454.373 2.186 30 10 JEEE CC(C)(C)OC(=O)N[C@]1(C(=O)Nc2ccc(C#N)c(Br)c2)CCS(=O)(=O)C1 2181105670 NJCGDGMRUNYGAQ-QGZVFWFLSA-N 458.334 2.341 30 10 JEEE C[C@@H](CNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2247901430 KLDLUDMSIQGDRP-ZDUSSCGKSA-N 460.427 2.380 30 10 JEEE COCC[C@@H](CNC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2255635477 HLJGVKVBAXKNNC-ZDUSSCGKSA-N 455.386 2.102 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1C[C@H]2C[C@H]1[C@@H]2NC(=O)OCc1ccccc1 2255697762 DEMFTRJQDGTBQD-SLYNCCJLSA-N 465.359 2.464 30 10 JEEE CON(C(=O)c1sncc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2255836871 GEFXBPOZMMQBBC-CYBMUJFWSA-N 453.370 2.455 30 10 JEEE CN(C)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1Oc1nccc(B2OC(C)(C)C(C)(C)O2)c1F 2265996939 CGRZZWOIYJKORJ-HZPDHXFCSA-N 451.348 2.448 30 10 JEEE COC(=O)[C@H](CCNc1nccc(B2OC(C)(C)C(C)(C)O2)c1F)NC(=O)OC(C)(C)C 2266051254 JINFXYSZNDPKHW-AWEZNQCLSA-N 453.320 2.388 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N[C@H]2[C@H]3OCCC[C@H]3[C@H]2NC(=O)OC(C)(C)C)C1 2266541110 WLNUTOSSLIGFMU-KIBDSFRMSA-N 463.575 2.480 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1COC[C@@H]1NC(=O)c1c(F)cccc1B1OC(C)(C)C(C)(C)O1 2267447636 MKEQWTIJDKKYOB-HOTGVXAUSA-N 450.316 2.147 30 10 JEEE C[C@@H]1[C@@H](NS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2267468739 MHAQIGPDUCXNOY-KGLIPLIRSA-N 487.453 2.260 30 10 JEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2267474354 SSBYAGLQMKVHKG-UONOGXRCSA-N 487.453 2.117 30 10 JEEE Cn1nc(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2267500623 LEAWLJOEXBARNP-STQMWFEESA-N 466.775 2.207 30 10 JEEE CC(C)(C)OC(=O)N1CC(O)(C(F)(F)C(=O)N[C@@H]2CCC=C2B2OC(C)(C)C(C)(C)O2)C1 2268629974 DYNFHPTZEDSJKC-CQSZACIVSA-N 458.311 2.440 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](C2CC2)[C@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2268679397 FHCNPWBJBIGILH-KBPBESRZSA-N 464.397 2.233 30 10 JEEE CC(C)(C)OC(=O)N[C@@]1(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)CCCC12CC2 2268716107 SROLUISTHXOHBP-OAQYLSRUSA-N 464.397 2.425 30 10 JEEE Cc1c(C(=O)NCCC2CC(NC(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281802513 LGGQOBXBUFWDTI-UHFFFAOYSA-N 462.400 2.451 30 10 JEEE Cn1ncc(C(=O)N[C@@H]2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)c1B1OC(C)(C)C(C)(C)O1 2281826893 OBYTYGZOUZOGKX-HYVNUMGLSA-N 460.384 2.095 30 10 JEEE Cc1c(C(=O)N[C@H]2CCOC[C@H]2OCc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281986260 PNATVGRBWSSTOP-RBUKOAKNSA-N 455.364 2.132 30 10 JEEE CC(C)(C)OC(=O)N1[C@H](CNC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)C[C@H]2OCC[C@H]21 2282027684 TXODMHBDQMIDQL-RRFJBIMHSA-N 479.408 2.339 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H]1C[C@@H]1CNC(=O)OC(C)(C)C 2282495552 NUYYOSBPPDCREW-ZBFHGGJFSA-N 482.408 2.186 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H]2CN(C(=O)c3ncc(B4OC(C)(C)C(C)(C)O4)cn3)C[C@@H]2C1 2282621241 PSXSBSOKPWMGQC-HOTGVXAUSA-N 458.368 2.105 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2CN(C(=O)c3ncc(B4OC(C)(C)C(C)(C)O4)cn3)C[C@@H]21 2282625169 RPIVKWNEGJLDOS-HYVNUMGLSA-N 458.368 2.151 30 10 JEEE CCO[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1NC(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282675712 AQDHDTPMYYMFPD-KURKYZTESA-N 461.368 2.181 30 10 JEEE CO[C@]1(CNC(=O)OC(C)(C)C)C[C@H](C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)C1 2283974854 ZZPSCHXJSXUAKY-XLOAEROZSA-N 481.424 2.378 30 10 JEEE CC(C)(C)OC(=O)N1CCC(OCCC(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)CC1 2283979833 SQCLSYYDRDUAIH-UHFFFAOYSA-N 482.412 2.004 30 10 JEEE CC(C)(C)OC(=O)NCCc1n[nH]cc1C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2284049519 UMDAEDPUWFBBAE-UHFFFAOYSA-N 457.340 2.423 30 10 JEEE COc1ccc(C=Nn2c(CNC(C)=O)nnc2SCC(=O)N[C@H](C)c2ccccc2)cc1O 2330794125 DPWKHDJBPRPLSH-OAHLLOKOSA-N 482.566 2.480 30 10 JEEE C[C@@H]1CC[C@H](CNC(=O)C(F)(F)F)N(C(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C1 2337333573 BSHXFEAOILBQRU-VXGBXAGGSA-N 461.315 2.362 30 10 JEEE COc1nc(O[C@@H]2C[C@@H](NC(=O)OC(C)(C)C)[C@H]2OC)ccc1B1OC(C)(C)C(C)(C)O1 2339834292 HLXKTPRDWOBXCG-BFYDXBDKSA-N 450.341 2.449 30 10 JEEE COC[C@@]1(C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)C=CCN1C(=O)OC(C)(C)C 2361498880 GZFNCFYFOMQRIV-JOCHJYFZSA-N 479.408 2.251 30 10 JEEE Cn1cc(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)CC23CC3)nc1B1OC(C)(C)C(C)(C)O1 2361528432 WJLWOHSHMIZGSO-OAHLLOKOSA-N 460.384 2.096 30 10 JEEE CNC(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)[C@H]1C[C@H](B2OC(C)(C)C(C)(C)O2)C1 2369383069 ZSRDCJYUWPFZGK-BRWVUGGUSA-N 465.400 2.443 30 10 JEEE COc1ccc(NC(=O)CSc2nnc(N/N=C/c3cc(OC)ccc3O)n2N)c(C)c1 20527484 AQZBMWNNYZFYHU-LSHDLFTRSA-N 457.516 2.200 30 10 JEEE COC(=O)c1ccc([C@@H]2/C(=C(/O)c3c(C)[nH]c(C(=O)OC)c3C)C(=O)C(=O)N2CCN(C)C)cc1 103096413 QZFZLOLVDNWJHK-HWCXCKHPSA-N 483.521 2.188 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)NC3CCN(C(=O)Cc4ccccc4OC)CC3)cc2C1=O 500258107 OTCMOMXFAANRGH-UHFFFAOYSA-N 461.518 2.441 30 10 JEEE C[C@@H](C#N)CNC(=O)c1cc(I)cc(I)c1O 701293422 ZBVQNOJXKZACFV-LURJTMIESA-N 456.021 2.491 30 10 JEEE C#Cc1cccc(NC(=O)CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Br)cc2)c1 918342758 RTQZCCAHPJCROU-IBGZPJMESA-N 490.379 2.338 30 10 JEEE C=CCc1cccc(C=NNc2nc(SCC(=O)Nc3ccc4c(c3)C(=O)NC4=O)n[nH]2)c1O 1083953808 BJFOTWZZGSKGDI-UHFFFAOYSA-N 477.506 2.299 30 10 JEEE CCc1nnc(CN(CC)C(=O)CSc2n[nH]c(NN=Cc3ccc(C(=O)OC)cc3)n2)o1 1084257403 KYYKAAVNTKXVNU-UHFFFAOYSA-N 472.531 2.124 30 10 JEEE COc1ccc(NC(=O)CSc2nnc(NN=Cc3ccc(N(C)C)cc3)n2N)c(OC)c1 1084318629 IRWUXUQKPHKLAX-UHFFFAOYSA-N 470.559 2.252 30 10 JEEE C#C[C@H](NC(=O)c1cccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2OC)c1)[C@@H]1CCCO1 1138447252 OYNABIPHKIQJOA-PXNSSMCTSA-N 459.480 2.315 30 10 JEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCN1CCC(NC(=O)OC(C)(C)C)CC1 1154704752 CNZFDTAQCIVVER-SFHVURJKSA-N 452.596 2.398 30 10 JEEE C[C@H](CN1CCN(c2ccccn2)CC1)NS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 1187172819 FEVXXWWVVBEZLK-OAHLLOKOSA-N 453.490 2.461 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCc1c(F)cccc1F)[C@@H]1CCS(=O)(=O)C1 1286397633 TZNNEFIIZNXLBQ-GOSISDBHSA-N 488.564 2.287 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN(C)CC(F)(F)F 1286425916 BXEKITFFBHFCGG-UHFFFAOYSA-N 471.487 2.149 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC[C@@H](C(F)F)N1CCOCC1 1286438554 YLIXICCKPQIFOP-IBGZPJMESA-N 481.569 2.164 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2C[C@@H](C)N2CCN(CC)CC2)CC1 1286493283 FTYDHECACONRBB-HSZRJFAPSA-N 491.684 2.055 30 10 JEEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(CCSC2)C1 1286534617 BQNBTMFSQGSDGN-DOMZBBRYSA-N 450.428 2.130 30 10 JEEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2cc(OC)cc(OC)c2)CC1 1286699829 HUEQJEDHNNSHCU-FQEVSTJZSA-N 489.642 2.486 30 10 JEEE C=CCN(CC=C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1286755784 BPCZAVSHDOKLMU-MRXNPFEDSA-N 469.571 2.054 30 10 JEEE C=CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1286769969 HXTDHSRCPSPHFL-WMZOPIPTSA-N 489.646 2.100 30 10 JEEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCO[C@H](CC)C1 1286787632 HMCSVEMODIKQHU-GOSISDBHSA-N 462.595 2.310 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1286819279 FZMNAPVBCNBSAA-XMSQKQJNSA-N 461.588 2.024 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC[C@H](C(=O)NC)C1 1286819738 ULLJBHMTNWGBBS-SFHVURJKSA-N 484.582 2.163 30 10 JEEE Cc1nn(C)c(N2CCN(c3nnc(C(=O)NC(C)C)n3CCCC(C)(C)C)CC2)c1C#N 1290576386 DMXYAPMCICDPFY-UHFFFAOYSA-N 455.611 2.483 30 10 JEEE CCCCn1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(CC(=O)N(C)C)CC2)c(C)n1 1294294705 HIXUILKJAJNRTA-UHFFFAOYSA-N 489.628 2.380 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1(C(=O)N(C)C)CCCC1 1300298416 CABFCQPJEKPEAJ-QGZVFWFLSA-N 471.631 2.345 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1ccc(COC)o1 1300409938 LFJUPNZOBJHBNW-QUCCMNQESA-N 477.587 2.105 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H](C)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1300483253 JVBCGFNYZBFWMV-XLIONFOSSA-N 474.587 2.210 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H](SC)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1300488363 RGSIFFICVXBKTH-DLBZAZTESA-N 450.634 2.083 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CCN1CCOC(C)(C)C1 1300649817 WSQVZVDZDUMQPP-FQEVSTJZSA-N 454.550 2.119 30 10 JEEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2CCCN2CCCCC2=O)CC1 1300705557 ABHBEGDSSRWUIA-UHFFFAOYSA-N 464.614 2.230 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)cc(OC)c2)n1CCN1CCN(C(C)=O)CC1 1300788946 ROASUDMRGVJYRK-RUZDIDTESA-N 466.586 2.119 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 1300988261 AHPOPIKDLBUCLF-BEFAXECRSA-N 480.553 2.303 30 10 JEEE COC[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1301281391 ANPHFPOYSIZTHL-OALUTQOASA-N 459.572 2.026 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@@H](C)[C@@H](O)C1 1301483256 MEBCFHHIRHLWAU-WBMJQRKESA-N 452.328 2.356 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC(Oc2c(OC)cccc2OC)CC1 1301491279 NZSXJRVQFODVPR-UHFFFAOYSA-N 481.557 2.046 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@@H]1CCOC[C@H]1C 1303407544 GFBJFSTZYZFDSO-KNQAVFIVSA-N 465.602 2.283 30 10 JEEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC1CN(C(=O)OC(C)(C)C)C1 1306199373 DNFGRIULVUOZNU-MRXNPFEDSA-N 467.578 2.084 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(NC(=O)CC(C)C)c1 1358872263 RSMWTIWZRQRZAE-SJORKVTESA-N 460.604 2.379 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCN1CCCC(C)(C)C1)[C@H]1CCS(=O)(=O)C1 1358961516 AMLSARIQQZWPRZ-FQEVSTJZSA-N 470.643 2.397 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCN1CCN(C(C)=O)CC1 1358972625 LRMCMCJIGFYSTK-IBGZPJMESA-N 464.639 2.368 30 10 JEEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1CCc1cccc(C(=O)NC)c1 1358997612 YVJFDLDYIMZBMZ-UHFFFAOYSA-N 474.590 2.335 30 10 JEEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCc2ccc(OC)c(OC(F)F)c2)CC1 1359037954 FNTLKSFVCOIRMB-UHFFFAOYSA-N 488.539 2.008 30 10 JEEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2CCCO[C@@H]2CCOC2)CC1 1359038576 AZPVSTXIICSMHX-JOCHJYFZSA-N 453.587 2.425 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(OC(F)(F)F)cc2)CC1 1359044564 IZOYQTXYNOMPHL-GOSISDBHSA-N 490.486 2.142 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 1359056254 BGTLWGRJHMLPBG-KSSFIOAISA-N 480.578 2.076 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(Cn2nc(C)cc2C)n1CC1(OCCOC)CCOCC1 1359073361 MTEXHLWCASLQOW-HSZRJFAPSA-N 456.591 2.344 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](CN(C)CCC)C1 1359099728 SFLPZVMKZYSLTE-WOZUAGRISA-N 465.664 2.330 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1359102997 IPXPCIXFYVMJRQ-VLHNPEIBSA-N 499.660 2.488 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](Nc2cc(OC)cc(OC)c2)C1 1359298041 KKDINGAYGTVYEO-GOSISDBHSA-N 480.573 2.079 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1359331575 CWKZQWBORUMNTA-IBGZPJMESA-N 478.619 2.048 30 10 JEEE C=CCSCCn1c(N2CC[C@]3(CCS(=O)(=O)C3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1359346536 NSQDAHJYDFCBKL-LEWJYISDSA-N 470.661 2.253 30 10 JEEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3ccc(CC(=O)NCC(=O)OC)cc3)n[nH]2)c1C 1441501868 DCQWMSJIIKKJTE-UHFFFAOYSA-N 450.499 2.160 30 10 JEEE N#Cc1ccc(OCC(=O)NCCS(=O)(=O)CCc2ccccc2)cc1Br 1459458918 BZTUJHIATVIKJB-UHFFFAOYSA-N 451.342 2.473 30 10 JEEE COC(=O)c1csc(S(=O)(=O)N2CCN(C(=O)Nc3cc(C#N)ccc3F)CC2)c1 1466786701 DJJVFLROXPCZCR-UHFFFAOYSA-N 452.489 2.084 30 10 JEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)OCC)([S@](C)=O)CC1 1468159581 VYLJILAZDBOGRF-ONSXPEOJSA-N 450.985 2.325 30 10 JEEE CCC[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc(F)c2C#N)CC1)OC 1500126725 FHDMZCZOPFIQSK-ROUUACIJSA-N 490.605 2.333 30 10 JEEE CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(C2CCCC2)CC1 1503817059 AKMFZBWLLJFMCK-UHFFFAOYSA-N 451.575 2.320 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccnc(-n2cccn2)c1 1507523022 ZWZQUMVUEBRLSV-KRWDZBQOSA-N 461.551 2.436 30 10 JEEE C#CCCCn1c(COc2ccc(C)cc2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1507594151 DJCGDJSJPPJNKL-NRFANRHFSA-N 450.543 2.346 30 10 JEEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(C)(C)N1CCC(OC)CC1 1507610849 IDOHDPUMVBQLPS-UHFFFAOYSA-N 463.586 2.151 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1Cc1cnn(C)c1C)[C@H]1CCS(=O)(=O)C1 1507628434 OOPHJLJRTVHUDS-IBGZPJMESA-N 458.975 2.315 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2CC2(C(=O)N(C)C)CCCC2)CC1 1507724435 PFDUSASWSSEQPU-UHFFFAOYSA-N 452.578 2.412 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2nc(C)cc(OCC)n2)CC1 1507845138 WWQJQJTWHHUWKI-LJQANCHMSA-N 457.579 2.198 30 10 JEEE C=CCNC(=O)Cn1c(N(C)C[C@@H]2CCN(C(C)=O)C2)nnc1C1(c2ccccc2)CCC1 1508098662 QHRLRNAFAVDMNL-FQEVSTJZSA-N 450.587 2.355 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cn(C)c4ccccc34)n2CCNS(=O)(=O)CC)C1 1508115587 BPYKKGKOPHMGNC-KRWDZBQOSA-N 458.588 2.157 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCO[C@@H](CCC)C1 1508145929 RACOPKUZPDPUPR-PXNSSMCTSA-N 462.572 2.397 30 10 JEEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H]1CC=CCC1 1508160320 FSJVAWQPPFUOTD-ZWKOTPCHSA-N 455.650 2.323 30 10 JEEE CC(=O)N1CCN([C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCCOC(F)F)C[C@H]2C)CC1 1508273142 OPCMPIYLTXMBDJ-DYESRHJHSA-N 487.555 2.435 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](c1cccs1)N1CCCC1 1538974516 SWXYMGGMMWQVQK-GVDBMIGSSA-N 450.634 2.245 30 10 JEEE C#CCCCCn1c([C@H]2CCCOC2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1539071762 DHMNJGCBNPBCKR-XZOQPEGZSA-N 458.651 2.207 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1C[C@H](C1CC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1539229427 CQODAPVYVPBZCN-JTHBVZDNSA-N 485.654 2.441 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1539365614 ONMZEPKJKLQLKP-BKBKCADHSA-N 497.600 2.379 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccnc1OCC(F)(F)F 1539370559 XIMQUCITJRKXAM-OAHLLOKOSA-N 457.478 2.024 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CCn1cc(Br)cn1 1539413844 OGNLNITZLFXNGB-UHFFFAOYSA-N 497.357 2.339 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCc1cnn(C)c1 1539416622 QNXBQGNOWPQQNU-FQEVSTJZSA-N 487.605 2.039 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)OCCOC)n1Cc1ccc(N2CCOCC2)nc1 1539538629 KFVYYZLHVOZOIF-YADARESESA-N 454.575 2.274 30 10 JEEE C=C(Br)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1539585939 DIOLQTLVEYPLCC-AWEZNQCLSA-N 455.744 2.243 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)CCCS(C)(=O)=O 1539630207 ZLGQDSRURRIWRZ-UZLBHIALSA-N 486.598 2.446 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CC[C@@](C)(C(=O)NC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1539642529 QTBWCMUCAYECKJ-RKGYPADOSA-N 461.607 2.262 30 10 JEEE C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1539683474 RSHFDVOSMSRDMD-UHFFFAOYSA-N 481.582 2.154 30 10 JEEE C=C(Cl)Cn1c(Cc2cccnc2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1539809897 CMFRZDYPKBOXMV-OAQYLSRUSA-N 460.026 2.248 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1539931153 HJESRRUOCZJQHB-BZSNNMDCSA-N 455.625 2.075 30 10 JEEE C=CCn1c(N2CCN(CC(=O)N3CCCC[C@H]3C)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1540861520 VNODVVQQNGVZFR-HYBUGGRVSA-N 460.623 2.028 30 10 JEEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCN(CC(=O)Nc2ccccc2CC)CC1 1540862687 GYMYTMNXGKIBII-UHFFFAOYSA-N 453.591 2.027 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1540865962 XTLWWJQIAKJQFR-IBGZPJMESA-N 452.603 2.499 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C)(c2nc(C)no2)CC1 1540874513 IZAJKQRSZPVLET-UHFFFAOYSA-N 476.541 2.281 30 10 JEEE Cc1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(N(C)S(C)(=O)=O)CC2)cn1 1542383041 GWMDAUWGMUETRF-UHFFFAOYSA-N 465.583 2.429 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2ccc(N3N=C(C4CC4)CC3=O)nc2)ccc1F 1585201401 ZYFPLFNFYHMGMQ-UHFFFAOYSA-N 457.487 2.440 30 10 JEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 1587766194 QDJVHJWFWJTWHH-ROUUACIJSA-N 465.620 2.335 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ccc(C(F)(F)F)cc1)[C@H]1CCS(=O)(=O)C1 1588049386 GBIMQUQXSDRBBC-KRWDZBQOSA-N 476.484 2.429 30 10 JEEE C#CCN(c1nnc(C2CC2)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1588049637 KBBJDRVVOVJXFS-ZWKOTPCHSA-N 463.604 2.182 30 10 JEEE C#CCN(c1nnc(CCOc2ccccc2)n1C[C@@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1588070101 WPUWLHHZMIPCSO-CTNGQTDRSA-N 458.584 2.095 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1c2ccccc2C[C@@H]1C 1588228251 CSCRCLLQMOABJW-FPOVZHCZSA-N 451.596 2.094 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2CC2(O)CCN(C(C)C)CC2)CC1 1588848979 TXBFBPQZZRILGJ-UHFFFAOYSA-N 450.631 2.168 30 10 JEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(n2ncc3ccccc32)CC1 1588985600 VITGWLLSXORSHS-KRWDZBQOSA-N 487.655 2.446 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCC(=O)N(C)C 1589234879 ZWECDFHFRHKCKX-AREMUKBSSA-N 463.630 2.113 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)Oc2ccccc2OC)CC1 1594097189 NEASDIFVIDXMJC-WIYYLYMNSA-N 491.614 2.244 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCN(C(C)=O)C1 1595142990 WGRKUMHFDPLYFO-SJLPKXTDSA-N 480.660 2.401 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 1595500720 CTKIODPHPOXYSF-SFHVURJKSA-N 463.586 2.496 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1595594620 NQQUBRYRKXAPJJ-LJQANCHMSA-N 482.564 2.423 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CC[S@@](=O)CC)C1 1595682225 YXESZNMBJJCMRX-IQVDJAOASA-N 480.660 2.097 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N(C)Cc1cnn(C)c1C 1595805539 QEETWCWHDFLKJE-UHFFFAOYSA-N 464.542 2.426 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@@H](C(=O)NC)C1 1595823459 OCHBXVYRCVUWCO-LJQANCHMSA-N 475.615 2.037 30 10 JEEE Cc1nc(N2CCOCC2)sc1-c1nnc(N(CCC#N)CC2CC2)n1CCC(=O)N(C)C 1611847783 CYGHQRULHGVCEG-UHFFFAOYSA-N 472.619 2.155 30 10 JEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc(CN2CCC[C@H](C(N)=O)C2)c1 1628755424 WDSCULYCLPCNRV-LEWJYISDSA-N 456.587 2.307 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CCN(c3cccc(Cl)c3)C2=O)s1 1630475883 POKNBBSHESPNEO-MRXNPFEDSA-N 453.973 2.330 30 10 JEEE C=CCOC[C@@H](NC(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1)C(=O)OC 1635158469 BNHHMGUUQZQWCI-QGZVFWFLSA-N 453.333 2.162 30 10 JEEE C#CC[C@@H]1CCN(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)C1 1641288076 DBRQQRVSBVUPMV-HXUWFJFHSA-N 459.612 2.295 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1689835370 LEKNOTYMTRRZDM-QGZVFWFLSA-N 498.609 2.061 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(C)n(C)c1=O 1689853889 ZWVICUPRYIOSRM-QFBILLFUSA-N 470.574 2.100 30 10 JEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2ccccc2C)C1 1689892939 QCDHQLARGSWHNW-YADHBBJMSA-N 487.626 2.301 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCCn1ccc2ccccc21)[C@H]1CCS(=O)(=O)C1 1689977841 FEISXXSJFDOQQN-FQEVSTJZSA-N 482.610 2.088 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CCCOc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1689993137 WKKKTWGOMJFNKS-NRFANRHFSA-N 483.569 2.499 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1690113356 HJFNLPVMWAMDGZ-KZKMBZSSSA-N 473.581 2.102 30 10 JEEE C#CCN1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CCCOCC(C)C)CC1 1690120010 BLTPYTSBFQEPLT-UHFFFAOYSA-N 473.647 2.056 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2CC(=O)NC2CCCCC2)CC1 1690152582 QBGWOWYVRMEHGQ-UHFFFAOYSA-N 496.587 2.411 30 10 JEEE C#CCSCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC(NS(C)(=O)=O)CC1 1690160045 VHRZFFYREHCWHB-UHFFFAOYSA-N 485.582 2.431 30 10 JEEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1690220070 QSLVDHVWNQHZPN-JTQLQIEISA-N 488.330 2.145 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccc(OC)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1690253549 ROLWUQDLUXXVEN-CJFMBICVSA-N 498.628 2.057 30 10 JEEE C=C(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2nc(O)c(C#N)cc2C1)c1ccccc1 1690321705 JDXWXGMZHXHAMV-MRXNPFEDSA-N 479.566 2.137 30 10 JEEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@H](COC)C1 1690671427 VXDWIPLPVOLLPI-KRWDZBQOSA-N 462.595 2.168 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1690672844 FXUSXYBYUHCDAA-NRFANRHFSA-N 493.656 2.049 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@H]2CCC[C@H]21 1690715724 SJFOOASGLPZTTL-SJLPKXTDSA-N 463.991 2.451 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](C)C1 1690723875 CHPNOGFGIIHDQV-ZWKOTPCHSA-N 483.635 2.424 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2C[C@H]2CCCCS2(=O)=O)c1 1705507669 IDESPCVAGVITOV-JOCHJYFZSA-N 492.605 2.287 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H](C1CC1)N(C)C 1705596116 SOXAEMALWYLPDJ-QFIPXVFZSA-N 457.582 2.478 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(=O)N(C)CC 1705625618 QTXDYXKSCIKPSL-UHFFFAOYSA-N 497.600 2.495 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2nc(C(C)(C)C)cs2)CC1 1705644457 REKGAIQREXVIMU-UHFFFAOYSA-N 471.631 2.184 30 10 JEEE C#CCSCCn1c(N2CCO[C@H](COC)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705665621 YZJRMVMNPZOCIP-KSZLIROESA-N 465.620 2.267 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1705701085 CFAULDAHOKWKHV-WIYYLYMNSA-N 492.646 2.488 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@@H](OC)C(C)(C)C1 1705929903 ADHYQOUWVMGNKH-GOSISDBHSA-N 496.033 2.324 30 10 JEEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccccc2OC)CC1 1705944229 YYDNFHUFPYYUGG-IBGZPJMESA-N 456.616 2.479 30 10 JEEE C[C@@H](Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)C[C@@H](C)C#N)N1CCOCC1 1706069394 BSBQRRNGEWQSLD-IRXDYDNUSA-N 459.982 2.178 30 10 JEEE CCn1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N2C[C@H](C)O[C@@H](COC)C2)cn1 1710188445 FXABHBOIDVFXHY-LAUBAEHRSA-N 451.531 2.234 30 10 JEEE C#CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H](N1CCOCC1)C(F)(F)F 1722344255 UPWQKRNNOVVKOI-AWEZNQCLSA-N 461.286 2.368 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1ncccc1N(C)C 1722370381 IYRIHLDTJUBQFO-UHFFFAOYSA-N 461.957 2.444 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1cccc(C(F)(F)F)n1 1722376733 BNWNWVJSKXZFLS-UHFFFAOYSA-N 463.427 2.456 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCN1CCC[C@H](C)C1 1722380185 HMUATXDFQGJDPY-FQEVSTJZSA-N 457.582 2.480 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC(=O)N(C)C 1722400784 ZERLNCLPXJKWPV-LJQANCHMSA-N 456.591 2.334 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](C)N2CCC[C@@H](C)C2)CC1 1722449764 YVHXGFGMEFHNDS-NHCUHLMSSA-N 463.630 2.350 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1722705620 FLUDQFTWHKQTIH-QGZVFWFLSA-N 467.530 2.243 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@@H](C)[C@H](OC)C1 1722726870 GLGFBIIBFKXQTD-CRAIPNDOSA-N 472.571 2.056 30 10 JEEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1722732778 OWJRSIVFTSVIFM-UHFFFAOYSA-N 472.619 2.475 30 10 JEEE CC(C)NC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1723650535 DJLURLZLPZHFQV-PBHICJAKSA-N 466.464 2.409 30 10 JEEE CC1=C(Br)CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1724051096 ADARECHSOWURRC-FQEVSTJZSA-N 492.399 2.245 30 10 JEEE Cc1nccnc1CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1725764777 FEIQCDBIDJIHJT-IBGZPJMESA-N 451.556 2.171 30 10 JEEE CCN(CC)[C@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1728366212 FZWMAYRGYSSBCM-OAQYLSRUSA-N 478.645 2.291 30 10 JEEE COCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1730772404 HYWMWXHNZHUCMH-IBGZPJMESA-N 462.558 2.497 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCSCc1ccccc1F 1740550060 HOISOPUPVOKVJW-APWZRJJASA-N 481.619 2.141 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCOCC)[C@@H]1CCS(=O)(=O)C1 1740629045 ZDDLWWGSJNLKFZ-MOPGFXCFSA-N 495.646 2.403 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)Cc1ccc(OC)c(OC)c1 1740637783 HWFZVADPHNDDRR-UYAOXDASSA-N 470.595 2.149 30 10 JEEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCc1nc2c(s1)CCCC2 1740662954 ZQIUFFRFVXWGLD-OAHLLOKOSA-N 450.634 2.316 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2cccc(C(N)=O)c2)CC1 1740700171 ITLQJITZYARIKI-NHCUHLMSSA-N 450.587 2.099 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H]2CCOC[C@@H]2OC)CC1 1740707365 ZIMVJZOSINFLLY-IRLDBZIGSA-N 469.561 2.025 30 10 JEEE C#CCSCCn1c(COc2ccccc2OC)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1740722431 IZFNLIFRVQZHGZ-JOCHJYFZSA-N 476.624 2.247 30 10 JEEE C=CC1CCN(c2nnc(COc3ccccc3OC)n2CCN2CCCS2(=O)=O)CC1 1740841904 FJGSOIQWKNNWCL-UHFFFAOYSA-N 461.588 2.304 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(c2nc(CC)ns2)CC1 1740960784 ATHAMKUGIUVILL-UHFFFAOYSA-N 470.578 2.051 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@H](CNC(C)=O)C1 1740992908 PHELOJGNUFCSOX-LJQANCHMSA-N 480.034 2.476 30 10 JEEE CN(CCN1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCN(CC(F)(F)F)C1 1747971516 HFFLYMYMOUQDJN-IBGZPJMESA-N 477.535 2.469 30 10 JEEE C#CCCCCn1c(CC(C)(C)C)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1748717891 LEARWHYUFDBUPB-IBGZPJMESA-N 451.637 2.301 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1C[C@H](C)N1CCN(c2ccccc2)CC1)[C@@H]1CCS(=O)(=O)C1 1748817159 GAGHHDHXHBJHPJ-LADGPHEKSA-N 498.697 2.314 30 10 JEEE C#CCN(CC#CC)c1nnc(COc2cccc(C)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1748901088 RSGKZQVUNFGRJC-HXUWFJFHSA-N 455.584 2.052 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cnccc1OC 1748944824 GFGJULQFHPUYKA-SFHVURJKSA-N 469.542 2.411 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](c2ccccc2)N(C)C)CC1 1749009774 LJIJAFQJQSPLIN-PKTZIBPZSA-N 464.614 2.441 30 10 JEEE C=C(Br)Cn1c(-c2noc3c2COCC3)nnc1N1CCC[C@H](CNC(C)=O)C1 1749098250 UDXUHJSFWGMVJO-CQSZACIVSA-N 465.352 2.267 30 10 JEEE C=C(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1749209043 KMHXYSCMINGLSD-RTBURBONSA-N 458.607 2.044 30 10 JEEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1749627480 OMVPIPQNJMHQFF-QGZVFWFLSA-N 482.651 2.344 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC[C@@H]2COCCO2)C1 1749712327 IHDMXCLEEIWZJT-AQNXPRMDSA-N 493.605 2.173 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCc1nc(C)no1 1760116573 ILQSKSPICVYVHP-DOTOQJQBSA-N 459.551 2.369 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1CC(C)(C)CN(C)C)[C@H]1CCS(=O)(=O)C1 1760183911 DWEFFIPPCMNRMU-SFHVURJKSA-N 489.642 2.177 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCC[C@@H](C)C1 1760203909 UXCYRWMIHFKYMJ-RTWAWAEBSA-N 470.618 2.391 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCn1cccn1 1760211571 JMBOUQKERONTBZ-UHFFFAOYSA-N 464.599 2.296 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1760243551 NYXMRAMKMIYEQY-VLMSHNLISA-N 464.501 2.435 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(F)cc3Br)n2CCCN2CCOC2=O)CC1 1760255659 FWNLAJSQTPBEGV-UHFFFAOYSA-N 491.365 2.444 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1760328643 YXEAGCVZGDSNAI-QSUVIHHLSA-N 461.607 2.478 30 10 JEEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1760422267 KEQAYPPVHLTTCG-QAPCUYQASA-N 450.613 2.294 30 10 JEEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1760427504 BKGPVIDSRRMDPA-WOJBJXKFSA-N 492.650 2.017 30 10 JEEE C=CCCOCCn1c(-c2cccc(C)n2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1760449489 LODAYOBCQGUHTN-UHFFFAOYSA-N 461.574 2.481 30 10 JEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)c2ccccc2)CC1 1760565787 FDERLQAMGOZGTD-IBGZPJMESA-N 489.667 2.498 30 10 JEEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)C(C)(C)C)C[C@H](C)O1 1770942723 AQRAOKUUXMBNCI-LPHOPBHVSA-N 461.588 2.270 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N(C)C[C@@H](C)C(=O)NC 1772659899 RHRXLKPWWKUEJD-CYBMUJFWSA-N 457.959 2.157 30 10 JEEE O=C(/C=C/c1ccc2c(c1)OCCO2)C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 1860730470 AQCRUQUQFMERTI-KRXBUXKQSA-N 466.475 2.270 30 10 JEEE Nc1cccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc([N+](=O)[O-])cc2)c1 1862557278 HCXGQJNMHAUBKH-NRFANRHFSA-N 466.494 2.478 30 10 JEEE COC(=O)c1ccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCN2CCOCC2)cc1 1862592556 FRHHBMCSVQPGGL-NRFANRHFSA-N 466.490 2.089 30 10 JEEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccccc1[N+](=O)[O-] 1862609949 YRZQJHQLOZSYHA-HXUWFJFHSA-N 467.434 2.080 30 10 JEEE CC(=O)Nc1ccc(C)c(-n2nnc(C#N)c2NS(=O)(=O)c2ccc3nc(O)oc3c2)c1 1870099582 MYWJTCXUOGFVLP-UHFFFAOYSA-N 453.440 2.053 30 10 JEEE CN(C(=O)OC(C)(C)C)[C@H]1COC[C@@H]1C(=O)NCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2180965120 BOUNETJTHWUPMJ-OALUTQOASA-N 460.380 2.484 30 10 JEEE CC(C)(C)OC(=O)NOCCCNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2247952932 QIQDQKHMSPPQPA-UHFFFAOYSA-N 462.399 2.172 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N(C)[C@]2(CNC(=O)OC(C)(C)C)CCOC2)C1 2255191919 HZDYRAXKCCBJGV-HESYMAFGSA-N 451.564 2.435 30 10 JEEE CC1(C)OB(c2csnc2C(=O)N[C@@H]2CCOC[C@H]2NC(=O)OCc2ccccc2)OC1(C)C 2255540853 STYDMVIIQFZPDL-QZTJIDSGSA-N 487.387 2.256 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](O)CN(C(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2255810073 HMOVBFLYLBLPCZ-UONOGXRCSA-N 452.382 2.147 30 10 JEEE Cc1c(C(=O)NCC2CN(C(=O)OCc3ccccc3)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2255823618 WLGNIHOKWIOQRD-UHFFFAOYSA-N 468.363 2.026 30 10 JEEE CN(CC1(O)CN(C(=O)OC(C)(C)C)C1)C(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2259111441 HISSEEYIDQFGRG-UHFFFAOYSA-N 452.382 2.101 30 10 JEEE CO[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)N(C(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C1 2267196575 FYYXVGLIHUZDBC-ZIAGYGMSSA-N 467.397 2.197 30 10 JEEE C[C@@H](C[S@@](C)(=O)=NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn1C)NC(=O)OC(C)(C)C 2267261370 UGXDLGLOFZDJJZ-BAJJSZBSSA-N 469.413 2.476 30 10 JEEE CCC[C@@H](CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)c(C)nn1C)NC(=O)OC(C)(C)C 2267513829 RFZDPBGYSPKTRC-HNNXBMFYSA-N 450.389 2.451 30 10 JEEE Cc1ccnc(C(=O)N2CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]2C)c1B1OC(C)(C)C(C)(C)O1 2281999678 GNHOWJQSQZGNRL-UONOGXRCSA-N 455.286 2.361 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1CCC[C@@H]1NC(=O)OC(C)(C)C 2282006549 WKBZYRLTKIFMIL-HOTGVXAUSA-N 462.400 2.451 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](CNC(=O)c2cccc(F)c2B2OC(C)(C)C(C)(C)O2)[C@@H](O)C1 2282411171 FIFNPHMAROWDHC-YOEHRIQHSA-N 464.343 2.083 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@]23CCN(C(=O)OC(C)(C)C)C[C@H]2C3)n1 2282599069 NRKLERYWDUJHBZ-IQMFZBJNSA-N 460.384 2.332 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@]2(CNS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2282834369 SUUGSRPHLNIAFE-LHSJRXKWSA-N 499.464 2.119 30 10 JEEE C[C@H]1CCN(S(=O)(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)C[C@@H]1NC(=O)C(F)(F)F 2282843341 LYHYUCBOAJMNJL-BBRMVZONSA-N 476.326 2.063 30 10 JEEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)C1NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2283061598 QEIIYJYYBBRZJW-HUUCEWRRSA-N 460.384 2.397 30 10 JEEE COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1NC(=O)[C@@H]1COC[C@@H]1NC(=O)OC(C)(C)C 2284035901 GODRVZGFAPIGLE-WBVHZDCISA-N 462.352 2.473 30 10 JEEE C[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)OC(C)(C)C)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2284041578 PLWQWLYMRNCIOH-HIFRSBDPSA-N 481.424 2.383 30 10 JEEE CCOc1ccc(C=NNc2cnn([C@@H]3CCS(=O)(=O)C3)c(=O)c2Cl)cc1OCC 2322614665 NMRZSUSKCGBYNZ-CQSZACIVSA-N 454.936 2.500 30 10 JEEE COCCc1nnc(SCC(=O)NCc2ccco2)n1N=Cc1ccc(OC)cc1OC 2331273681 MXKBSZMTJDPZQO-UHFFFAOYSA-N 459.528 2.368 30 10 JEEE CC(C)(C)OC(=O)N1CC2(CC[C@H](NC(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)o3)CO2)C1 2362297235 DGPHERPWLYTCBN-HNNXBMFYSA-N 462.352 2.477 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1C[C@H]2NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2366869260 AXMVOABSZQKGDG-SOUVJXGZSA-N 499.464 2.260 30 10 JEEE CC1CCN(c2nc(N3CCN(C)CC3)nc3c2CN(S(=O)(=O)c2ccccc2C#N)CC3)CC1 34676873 AMQMXOLULCRQIC-UHFFFAOYSA-N 495.653 2.083 30 10 JEEE C=CCSc1nnc(NC(=O)CSc2n[nH]c(N/N=C/c3c(C)nn(C)c3C)n2)s1 59309964 SNWAEGRPAKEMCY-REZTVBANSA-N 464.606 2.461 30 10 JEEE COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccccc2)c(OC)c1 102740683 GLBUNCLXOJWELE-VFJWVMJUSA-N 452.507 2.458 30 10 JEEE CN(C)C[C@H](Cc1ccccc1)NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 108565846 CVPPQVONRLBQLG-QFIPXVFZSA-N 454.596 2.248 30 10 JEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2OC)c(=O)n1-c1ccccc1C 514474966 BXVUGIYMGDWNQO-UHFFFAOYSA-N 461.543 2.030 30 10 JEEE Cc1cc(C)c(C#N)c(SC2=C(N3CCN(C)CC3)C(=O)N(c3ccc4c(c3)OCCO4)C2=O)n1 526695184 ZJVRTFIKXSFZHW-UHFFFAOYSA-N 491.573 2.466 30 10 JEEE C=CCSC1=NC(=O)C2=c3cc(Br)ccc3=N[C@@H](c3cccc([N+](=O)[O-])c3)N2N1 588226732 VPBWPJAKTLIZBJ-QGZVFWFLSA-N 472.324 2.420 30 10 JEEE 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 1128806498 ZCZSBLIDFBYEHV-DYVFJYSZSA-N 457.515 2.271 30 10 JEEE C#C[C@H]1CCCN(CC(=O)NCCN2C(=O)S/C(=C/c3ccc(OC)c(OC)c3)C2=O)C1 1195568567 QPOJTMHRBKGDOY-UOEVCUDDSA-N 457.552 2.202 30 10 JEEE C=CCS(=O)(=O)CCNC(=O)N(C)Cc1cccc(NS(=O)(=O)c2ccccc2)c1 1224763673 RMJLUDCWNUTXIY-UHFFFAOYSA-N 451.570 2.230 30 10 JEEE C#CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(NC(C)=O)CC1 1286324633 QIIOKIFKOBFEBV-UHFFFAOYSA-N 450.591 2.361 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](c2ccccc2OC)C1 1286349563 JYJRAKRAAIQYDW-WIYYLYMNSA-N 473.599 2.027 30 10 JEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CCO)Cc1cc(Br)ccc1F 1286350119 VKKHWZZTWSQWRS-OAHLLOKOSA-N 499.406 2.494 30 10 JEEE C#CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC1(N2CCOCC2)CC1 1286374164 LNSMDGCJFUSCDF-UHFFFAOYSA-N 458.607 2.327 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1Cc1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1286380859 DTBCKNMAVFNINT-OAHLLOKOSA-N 493.387 2.316 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCN1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1286381952 ILOGEPJTGLYZJQ-OAQYLSRUSA-N 471.627 2.312 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H](C)Oc1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1286393121 KDDFGEKCVQQJIO-VAMGGRTRSA-N 488.610 2.275 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(c2ccccc2OC)CCC1 1286409259 JIDGLRBKXGRZQB-IBGZPJMESA-N 452.580 2.384 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccccc2Br)n1CCN1CCCS1(=O)=O 1286424038 QYXOTAOKRSWECD-UHFFFAOYSA-N 476.400 2.206 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCN1CCC(C)CC1 1286438169 RFDYSMMUWWHRST-UHFFFAOYSA-N 458.632 2.387 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(F)cn1 1286454655 NGSSPMJEACYXPS-OAHLLOKOSA-N 460.510 2.250 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCCc2nc(C)no2)CC1 1286469501 HWLUROQDHUTZME-UHFFFAOYSA-N 462.558 2.227 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccnc(OCC(F)(F)F)c2)CC1 1286471801 ABCCOAKRVUJZOD-QFIPXVFZSA-N 494.518 2.070 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(CC(F)(F)F)CC1 1286554311 HAEBLXMWNSQXPR-JZXOWHBKSA-N 456.513 2.285 30 10 JEEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 1286608130 YCDBKJXQSLEMNW-QFIPXVFZSA-N 451.575 2.127 30 10 JEEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(C)n2)n1C[C@@]1(O)CCS(=O)(=O)C1 1286764442 PJJILZOAGXMZIX-QFIPXVFZSA-N 457.556 2.026 30 10 JEEE C=CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1286774175 AXHJZNQUYBDCHY-DLBZAZTESA-N 468.624 2.097 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC(NC(=O)COC)CC1 1286782193 NJGFLSSTRXPOEW-INIZCTEOSA-N 486.642 2.165 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](Cc2ccc(C#N)cc2)C1 1286819865 YEEVWXPECQDMQW-SFTDATJTSA-N 482.610 2.161 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1csc([C@H](C)OC)n1)[C@@H]1CCS(=O)(=O)C1 1300487525 KKCMNVDCOSXRJB-MAUKXSAKSA-N 472.596 2.179 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1OCC(C)C 1300631824 WHEHZKSJQVGWGH-OAQYLSRUSA-N 475.615 2.154 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@]2(C)CCCO2)CC1 1300710486 CUQHJZHAHYBOPM-YDIMBITNSA-N 458.607 2.373 30 10 JEEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1300767930 HRMDERRHCOTQNG-UHFFFAOYSA-N 483.564 2.401 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N1CCC(C(=O)NCCCOC)CC1 1300895423 RUHXMUQXUJXYNF-HBMCJLEFSA-N 461.607 2.480 30 10 JEEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1300960808 MHZPNAMIGUFGPJ-HNNXBMFYSA-N 456.576 2.420 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@](C)(O)CCC(C)C)CC1 1301123603 COEVUTPYEMSXOF-DENIHFKCSA-N 469.652 2.201 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@@H]1COCCO1 1301402685 QAWKVFDGZLFGMI-LEWJYISDSA-N 460.600 2.221 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCNC(=O)CC1 1301576133 ACCGQELLDKXYQT-UHFFFAOYSA-N 458.371 2.179 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccc1Cl 1301588773 JGKPKBLHGCYWKP-MRXNPFEDSA-N 473.020 2.071 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1301589777 WXOBGDVQNOZBLV-OALUTQOASA-N 467.636 2.109 30 10 JEEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@@H]2CCO[C@@H](C)C2)CC1=O 1301887497 IDROOKPEYWOMNR-RBUKOAKNSA-N 452.559 2.317 30 10 JEEE CS(=O)(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1302455506 CBNWYHRFLPLUBX-UHFFFAOYSA-N 484.626 2.480 30 10 JEEE CCN(CC)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2cccnc2)CC1 1313647543 DQYZWIYLAOHPBA-UHFFFAOYSA-N 472.597 2.445 30 10 JEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCOc1ccc(OC)cc1 1358945993 DBPPUKOCOLXWBX-UHFFFAOYSA-N 454.556 2.395 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1cccc(C)c1)N1CCOCC1 1358994212 HPGLSSGHTPWNPQ-DNQXCXABSA-N 495.649 2.025 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1NC(=O)CC1(C)C 1359066353 YGROUFVNVRYORC-WZONZLPQSA-N 455.584 2.255 30 10 JEEE C=C(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1359116874 HBMGLAIQMLRFRG-UHFFFAOYSA-N 478.594 2.423 30 10 JEEE C=CCN(c1nnc(-c2cc(Br)cn2C)n1CCCn1cc(CO)nn1)C1CC1 1359247586 IAHQTHULDVTDHH-UHFFFAOYSA-N 461.368 2.375 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)NC(C)C)n1CC1(S(C)(=O)=O)CCC1 1359255478 ZRYSOXRFGVYUEB-UHFFFAOYSA-N 470.599 2.448 30 10 JEEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCc1nccc(C(F)(F)F)n1 1359278218 MOPYHFIHLSLBNJ-UHFFFAOYSA-N 453.469 2.204 30 10 JEEE N#Cc1cccc(S(=O)(=O)NCC(=O)Nc2nc3cc4c(cc3s2)OC(F)(F)O4)c1 1457607394 BVFMBALLJRLXHT-UHFFFAOYSA-N 452.420 2.406 30 10 JEEE C#C[C@@H](NC(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)C1CCOCC1 1477568502 RCIIAZCEBVEJLC-OAQYLSRUSA-N 452.534 2.170 30 10 JEEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C[C@@H](C)S1 1494251592 AQQZEEPAACIUBB-JZXOWHBKSA-N 460.629 2.428 30 10 JEEE CC[C@@H](C)NC(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1496247917 FWQFJTSQXOTKML-DYESRHJHSA-N 462.558 2.433 30 10 JEEE CCCN(CC)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1500794488 GRYDLFQOJCACCO-HXUWFJFHSA-N 451.575 2.272 30 10 JEEE C#CCN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1507623789 XGCHPTWUWOKDKG-OAHLLOKOSA-N 489.907 2.051 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCOc1c(C)cccc1C)[C@@H]1CCS(=O)(=O)C1 1507641029 YDVHFDSKOZMKLD-JOCHJYFZSA-N 496.637 2.462 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccccn2)n1C[C@H](c1ccc(C)o1)N1CCOCC1 1507708572 JYPAOSLSORINTC-OAQYLSRUSA-N 450.543 2.401 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCN2CCCC[C@@H]2CC)CC1 1507736466 PTZQQSVUCPFDAF-BKMJKUGQSA-N 486.661 2.161 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CC(C)(C)N2CCC(OC)CC2)CC1 1507736701 QHFSXUQMDWAIFK-UHFFFAOYSA-N 481.645 2.139 30 10 JEEE C=C(Cl)Cn1c([C@H](C)OCCOC)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1507856864 FSZGPLNRYLJQLI-HOTGVXAUSA-N 451.959 2.152 30 10 JEEE C=CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCn2ccnc2C1 1508039109 YAZRJEZWIKOOOU-SFHVURJKSA-N 470.599 2.447 30 10 JEEE C[C@H](CC#N)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1(N2CCOCC2)CC1 1509937222 AOOVALDRTRILEF-QGZVFWFLSA-N 471.993 2.465 30 10 JEEE CS(=O)(=O)c1cccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCn2cc(Cl)cn2)c1 1519506207 GJDZFZBGCRLYCK-LJQANCHMSA-N 463.926 2.341 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CC2(SC)CCOCC2)c1 1539042305 FAPDDEFESYXOAQ-LJQANCHMSA-N 482.610 2.198 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CC3)n2CC2(S(C)(=O)=O)CCC2)c1 1539046148 NYAXAUYSIBVBLA-UHFFFAOYSA-N 455.584 2.254 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1CCSCC=C)[C@@H]1CCS(=O)(=O)C1 1539212980 YWEVTGGIOLMQCY-QGZVFWFLSA-N 460.581 2.220 30 10 JEEE C#CCN(c1nnc(CC)n1C[C@@H](CC)N1CCc2ccccc2C1)[C@H]1CCS(=O)(=O)C1 1539219368 JGVIMGXVWQUPFJ-YADHBBJMSA-N 455.628 2.304 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CC(C)(C)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1539220331 ISGWGHKUTLEHFV-ROUUACIJSA-N 495.646 2.102 30 10 JEEE C=C(C)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1539706619 MRQKLUDFAVEIDE-WIYYLYMNSA-N 454.575 2.403 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)c2cccc(F)c2)CC1 1539744143 CWYCOTXTKRVWGX-FQEVSTJZSA-N 470.549 2.314 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 1540870165 GKPHHLXEWXJLTD-IBGZPJMESA-N 456.547 2.122 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1540875266 GBOTUJNHHPSEQL-INIZCTEOSA-N 472.977 2.308 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CC[C@H](C(N)=O)C1 1540898425 JYZGAURHINIPGY-KRWDZBQOSA-N 486.623 2.289 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1540901206 WMKVDIKCZVFUHB-IRXDYDNUSA-N 478.619 2.234 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](OC)C(C)(C)C1 1540907192 NWUHMSJNVLNAMY-IBGZPJMESA-N 459.572 2.191 30 10 JEEE CNC(=O)[C@H]1CN(C(=O)c2ccnn2C)CC12CCN(c1ccc(C#N)c(C(F)(F)F)c1)CC2 1548375282 GYGOTXSEQKPHPC-GOSISDBHSA-N 474.487 2.415 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)NCC23CC(CN2C(=O)OC(C)(C)C)C3)ccc1F 1557601162 LBDVABYRDCFMSF-UHFFFAOYSA-N 453.536 2.419 30 10 JEEE CCCn1c(Cn2nc(CC)c(CC)c(C#N)c2=O)nc2cc(S(=O)(=O)N(C)C)ccc21 1559370853 AXMUGFSYIGEDGG-UHFFFAOYSA-N 456.572 2.298 30 10 JEEE C#CCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1587718646 LGHMSBHVBUFACJ-QGZVFWFLSA-N 460.560 2.422 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1C[C@H](C)SC)[C@@H]1CCS(=O)(=O)C1 1588034586 IVISNOASVRSPIX-DZGCQCFKSA-N 486.461 2.424 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@H](CC)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1588064783 PEUVGMYZIGXXHO-PMACEKPBSA-N 476.672 2.135 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCCc2cnn(C)n2)CC1 1588762357 HGCZJDXLHPYGNB-UHFFFAOYSA-N 456.501 2.063 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CCc2cccc(OC)c2)CC1 1588954266 CKJNPHFAWMXFLK-UHFFFAOYSA-N 458.566 2.481 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(OC)cc2)nnc1N1CCN(C(=O)NC)CC1 1589567226 CAASOZPNDKYHSG-PGRDOPGGSA-N 470.574 2.308 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2nccc(OCC)n2)CC1 1593741903 ZUZOLULPWKANHW-LJQANCHMSA-N 457.579 2.280 30 10 JEEE C=C(Cl)Cn1c(N2CCC(C(=O)N3CCOCC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1593932820 QPYRBYSLLXAVEQ-QFIPXVFZSA-N 467.998 2.146 30 10 JEEE C=CCn1c(Cc2csc(C)n2)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1595421290 AEDLXACGTAJRBK-UHFFFAOYSA-N 462.576 2.470 30 10 JEEE C=CC[C@@]1(C(=O)NC[C@@H](O)CS(=O)(=O)c2cccs2)CCCN1C(=O)OC(C)(C)C 1597165235 BQIYJHUYRVFKCO-QRWLVFNGSA-N 458.602 2.345 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC(F)F)C1 1597616340 GXQSJLXWABPUEI-INIZCTEOSA-N 475.500 2.301 30 10 JEEE C[C@H]([C@@H](C)S(C)(=O)=O)N(C)CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 1615504239 CFRUOYUATGFTNQ-ZACQAIPSSA-N 450.605 2.109 30 10 JEEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2nccs2)C1 1615972519 FHIORZYZVSMZCX-QGZVFWFLSA-N 457.585 2.034 30 10 JEEE COC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CCN2[C@@H](C)CC[C@H]2C)CC1)OC 1619598083 FPHVNOOONLJKQQ-IMSXRSKXSA-N 481.645 2.473 30 10 JEEE C=CCN(C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O)[C@@H]1CCS(=O)(=O)C1 1626456845 YNEQTKDTMMCNAF-CQSZACIVSA-N 456.567 2.070 30 10 JEEE C=CCC[C@@H]1CCCN1C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1646216483 PBMICQQSDDKHPG-LJQANCHMSA-N 451.564 2.396 30 10 JEEE N#Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N3CCCCCC3)CC2)cc1C(F)(F)F 1659326597 DMKLQQJVZMIHQJ-UHFFFAOYSA-N 458.506 2.286 30 10 JEEE C#CCN(C(=O)N[C@H](C)c1cc2c(cc1Br)OCCO2)[C@H]1CCS(=O)(=O)C1 1675471047 NSSJMGKGFOBZOC-OLZOCXBDSA-N 457.346 2.113 30 10 JEEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1689973279 ATSORIXMYJNSJL-QGZVFWFLSA-N 465.583 2.007 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1cccc(NC(C)=O)c1)[C@@H]1CCS(=O)(=O)C1 1689990616 QNCANPBEWMITEI-NHCUHLMSSA-N 471.583 2.153 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccccc1S(=O)(=O)N(C)C 1690008986 SYOBTQQVBLZTJI-UHFFFAOYSA-N 468.970 2.365 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCC2(C1)OCCO2 1690037469 VXCJAYLFTFVDIQ-FQEVSTJZSA-N 497.621 2.202 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@H]2CCCCS2(=O)=O)CC1 1690152384 JABSWNOWMKUXQL-QFIPXVFZSA-N 499.637 2.099 30 10 JEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC(NC(=O)NC2CCCCC2)CC1 1690154673 WGBSAONJAJTBNN-UHFFFAOYSA-N 487.674 2.481 30 10 JEEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1690159782 MNZRROALPKWWLW-IBGZPJMESA-N 471.627 2.487 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 1690174945 MRHAQFCPLFCZBT-HUUCEWRRSA-N 466.551 2.094 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1690249120 UJTYAIGUGLFGBO-SIKLNZKXSA-N 474.631 2.011 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1690258660 OLCNRGHICVMBLF-LSDHQDQOSA-N 484.582 2.277 30 10 JEEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C)c(C)c2)CC1 1690300660 HNNSKBNSEXLFIH-HXUWFJFHSA-N 476.647 2.424 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 1690672724 AWMWYJQSKTZZPN-HXUWFJFHSA-N 478.532 2.106 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1690683136 BWXGQLCQVMZTOO-WOJBJXKFSA-N 475.615 2.303 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCC(NC(=O)c2ccc(F)cc2)CC1 1690726979 RRFBAMKRVFXKDK-UHFFFAOYSA-N 475.590 2.369 30 10 JEEE CC(C)(C)OC(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N(CCS(C)(=O)=O)C1CC1 1691266266 GKSAHQMFPOFKSQ-UHFFFAOYSA-N 474.587 2.355 30 10 JEEE CC1(C)CN(CCn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H](CC(N)=O)C2)CCO1 1692870529 DOAZKFJUISWVQZ-IBGZPJMESA-N 451.575 2.019 30 10 JEEE CCN(CC)C(=O)CN1CCCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nnc(C)s2)CC1 1695587948 BIABJZQIBPLCCA-UHFFFAOYSA-N 493.641 2.406 30 10 JEEE CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2ncc(CC)s2)CC1 1695930265 HWKLWEKQXILNNV-UHFFFAOYSA-N 478.626 2.336 30 10 JEEE CCS(=O)(=O)N(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1696488972 BRIDFULASAENDY-QGZVFWFLSA-N 486.520 2.256 30 10 JEEE COC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](c3cccc(C#N)c3)C2)CCCC1 1697224654 HKCKYFJABFWQCL-XLIONFOSSA-N 488.614 2.297 30 10 JEEE COC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ncccc2F)CC1)OC 1697754881 BYEXFUIXZGPQNT-IBGZPJMESA-N 451.506 2.339 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@]1(C)CN(C2CC2)C1=O 1705476033 YATDVMHJQIEPRR-WNSKOXEYSA-N 454.962 2.330 30 10 JEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)c1cccc(O)c1 1705516554 DQDDRXIBKISFKH-XLIONFOSSA-N 461.588 2.318 30 10 JEEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 1705522804 GEEVAXPEAYPBKZ-LJQANCHMSA-N 485.614 2.170 30 10 JEEE C#CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H](C)N1CCN(CC)CC1 1705551706 CRRVBFVTCMCMSR-SFTDATJTSA-N 473.666 2.488 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](C)CN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1705562530 DUUQJFSLIHBCJJ-PKOBYXMFSA-N 477.034 2.352 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1CCCOC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1705570371 MQWJOVMKPVMUIU-FQEVSTJZSA-N 490.601 2.220 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCNC(=O)[C@@H](C)CCC)CC1 1705631869 CFCRRSMJPCHEOG-FQEVSTJZSA-N 479.629 2.455 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(F)cc2C(F)(F)F)CC1 1705639565 RBTOXURKMFYYGA-INIZCTEOSA-N 485.507 2.142 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC2(C(N)=O)CCOCC2)CC1 1705642337 PVCLCCSFVBUJEA-UHFFFAOYSA-N 494.640 2.192 30 10 JEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2ccc(Cl)cc2)C1 1705653842 QVXGDFAALRVJLZ-YJBOKZPZSA-N 484.047 2.486 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)c(Cl)c1 1705674861 SOYSILNCIOYLAD-GHTZIAJQSA-N 481.981 2.444 30 10 JEEE C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)CCC 1705687292 CMHRNJCCXAWVQB-ZFWWWQNUSA-N 464.430 2.392 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1705695770 ZFEYQANVHGLWRG-LYSIVYOWSA-N 458.607 2.425 30 10 JEEE C=C(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC(C(=O)NCCOC)CC1 1705720351 PYKRHTWJEWNSKX-UHFFFAOYSA-N 474.993 2.417 30 10 JEEE C=C(C)COCCn1c(-c2ccccc2F)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1705732661 GWGYOQKKKWLRHW-UHFFFAOYSA-N 465.533 2.497 30 10 JEEE C=C(Cl)Cn1c(N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1705760718 QISJRYSPQSGTFT-FXAWDEMLSA-N 476.043 2.179 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](C(C)(C)C)C1 1705904822 ZMFQQDRNYRNFGP-QZTJIDSGSA-N 492.621 2.140 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(CC)C(C)C 1705931005 BREXTLBBVMHAFK-UHFFFAOYSA-N 468.649 2.382 30 10 JEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 1705946969 WIFTYWFFDGQNCB-MJGOQNOKSA-N 483.704 2.477 30 10 JEEE CCC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1709441902 FBISQIZMJAXJDA-RUZDIDTESA-N 474.569 2.188 30 10 JEEE C#CCN(C)c1nnc(Cc2ccccc2OC)n1CC1(N2CCOCC2)CC(OCC)C1 1722351294 LFIZMKCNJQCKNB-UHFFFAOYSA-N 453.587 2.217 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1Cc1ccccc1CC)[C@H]1CCS(=O)(=O)C1 1722358045 DAFAPVXOJFFXHJ-NRFANRHFSA-N 471.627 2.434 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCc1ccc(C)cc1C)[C@H]1CCS(=O)(=O)C1 1722359423 SSSYRNSDMQVHCA-NRFANRHFSA-N 492.605 2.412 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CC[S@@](=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1722361315 YWKTYXQESDKUTN-GUNSETOZSA-N 452.602 2.020 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@H]1OCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1722366541 RPPYQZOGTKGEGN-UYAOXDASSA-N 460.575 2.450 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1ccc2c(c1)OCCO2)[C@@H]1CCS(=O)(=O)C1 1722368264 QJKQYEIYZLWSLZ-GOSISDBHSA-N 458.584 2.313 30 10 JEEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H](C)CN1CCOCC1 1722383397 OXQFIZIMGKBWAK-OAQYLSRUSA-N 484.645 2.434 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1(S(C)(=O)=O)CCC1 1722387596 IJMLKYHDNDTRNF-SFHVURJKSA-N 475.615 2.390 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@H](COC)OC 1722394564 WXSDNYVZLLLOOV-IBGZPJMESA-N 462.554 2.360 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCCc1cnn(C)n1 1722431586 LWMZZKODVUKUGE-UHFFFAOYSA-N 459.558 2.457 30 10 JEEE C#CCSCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCS(=O)CC1 1722460557 YJLFZXOBWZEOLF-QGZVFWFLSA-N 467.661 2.328 30 10 JEEE C=C(Cl)Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1722543107 DNZINHMSRWTNBN-GFCCVEGCSA-N 450.893 2.454 30 10 JEEE C=CCCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1722601959 NVYNXIUPADQOLH-UHFFFAOYSA-N 482.585 2.246 30 10 JEEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCCC[C@@H](SC)C1 1722698935 PMRDWZWINXTSOB-LJQANCHMSA-N 470.647 2.476 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1722728242 TWHGBSDAAACTEC-SBUREZEXSA-N 488.614 2.353 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2F)n1CCNS(=O)(=O)Cc1ccon1 1740541745 GWIJKAIJIFJHFV-ZDUSSCGKSA-N 466.926 2.303 30 10 JEEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(Cl)c(OCC)c(OC)c1 1740599880 GUQFGFZSXQPXGH-ZDUSSCGKSA-N 455.968 2.067 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1740645396 MFJOFFAZHGTGBF-DXBBTUNJSA-N 487.670 2.474 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H](C)N(C)c2ccccc2)CC1 1740702950 BNPKIIFTJVDTDX-JIPXPUAJSA-N 494.640 2.421 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H]1CC(=O)N(CCOC)C1 1740727936 GHDJWKIJESOAJS-IQGLISFBSA-N 467.570 2.449 30 10 JEEE C=C(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1740781254 XGSPZXJETSEOOJ-HUUCEWRRSA-N 454.622 2.072 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](COCC)C1 1740850801 KTDRYNPIKDDBGX-QZTJIDSGSA-N 455.625 2.076 30 10 JEEE C=CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](CNC(C)=O)C1 1740862981 KTSZQLASZNMNIL-UXHICEINSA-N 492.621 2.284 30 10 JEEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)CC(=O)NC(C)(C)C 1740960467 SBQZUSFYFDETPP-UHFFFAOYSA-N 491.637 2.046 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCCC(=O)N(C)C)C1 1740979242 IFIKGZXLMUQYJZ-MRXNPFEDSA-N 451.531 2.244 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](OC)c2ccc(F)cc2)C1 1740980082 HSJZOJAXWKQESM-DFQSSKMNSA-N 464.563 2.488 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1740989747 WYMAYPLHKNLGKY-FQEVSTJZSA-N 489.642 2.103 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC(C(=O)c2cccs2)CC1 1740989842 AMGOQEOTVQCKMH-UHFFFAOYSA-N 474.612 2.440 30 10 JEEE CC(C)(C)c1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1741159421 FETQOCBEVOMPBW-QHCPKHFHSA-N 455.584 2.291 30 10 JEEE CC(C)N(C)C(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)C2CC2)CC1 1741600012 HZVXNWVZFCAHMJ-UHFFFAOYSA-N 493.612 2.338 30 10 JEEE CN(CCN1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1747971517 HFFLYMYMOUQDJN-LJQANCHMSA-N 477.535 2.469 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CC1(SC)CCN(C)CC1)[C@@H]1CCS(=O)(=O)C1 1748809896 QFTRPFCKPAMCNO-OAQYLSRUSA-N 498.678 2.271 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCN(CC)CCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1748811444 HAMYOIFVNHPPPS-INIZCTEOSA-N 472.537 2.174 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1Cc1ccc(OC)c(OCC)c1)[C@H]1CCS(=O)(=O)C1 1748820384 ARFGJYYRZSXYAW-IBGZPJMESA-N 458.584 2.313 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1C[C@@H](C)CNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1748821275 OBEUIFMFGQQGTJ-WMZOPIPTSA-N 465.620 2.018 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCOc1ccccc1C)[C@H]1CCS(=O)(=O)C1 1748821464 QPIMKVDUIUOSQA-NRFANRHFSA-N 482.610 2.154 30 10 JEEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2CCNC(=O)C(C)(C)C)CC1 1748999149 KEMSUKYUNJAYCU-UHFFFAOYSA-N 452.603 2.391 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCC([C@H]3CC3(F)F)CC2)nnc1[C@]1(OCC)CCOC1 1749739573 GTBMYJPXAFYWTJ-XLIONFOSSA-N 474.574 2.403 30 10 JEEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(c2nccs2)CC1 1749755050 CVSDELHKMIUBSG-QGZVFWFLSA-N 498.700 2.371 30 10 JEEE COCCN(CCC#N)c1nnc(-c2ccc(F)cc2Br)n1C[C@]1(O)CCN(C)C1 1749827639 GPNVGMGDNZUZMJ-FQEVSTJZSA-N 481.370 2.280 30 10 JEEE C[C@]1(C(N)=O)CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCCCCC2=O)C1 1751281730 GCSZLJLYQLEOHT-VWLOTQADSA-N 479.585 2.223 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@H](CC(C)C)N(C)C)c1 1760128931 WOSZFAXRTBVGDW-LEWJYISDSA-N 465.602 2.262 30 10 JEEE C#CCCCCn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)NCc2ccccc2)CC1 1760138038 PZPYADCXIPYWBY-JOCHJYFZSA-N 450.587 2.024 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1CC[C@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1760190020 NUNIKHPXUILCGI-LEWJYISDSA-N 472.611 2.463 30 10 JEEE C#CCN(c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1CC1)[C@H]1CCS(=O)(=O)C1 1760190040 XNVOYQZZXSAMRJ-OALUTQOASA-N 477.631 2.429 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CCCSC)[C@@H]1CCS(=O)(=O)C1 1760192498 VDLAJPWWGADKBL-QGZVFWFLSA-N 452.577 2.376 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@H]1OCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1760192926 POAFSERJMTUVMQ-MBOZVWFJSA-N 462.547 2.048 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@@H](COC)OC)CC1 1760266775 LYPIRABMZKNHBM-IBGZPJMESA-N 490.402 2.335 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2Cc2nnc(C)s2)CC1 1760273240 MKFXCKOPYNRISR-UHFFFAOYSA-N 469.546 2.170 30 10 JEEE C=C(Br)Cn1c(N2C[C@H](CC)[C@@H](N3CCOCC3)C2)nnc1[C@]1(OCC)CCOC1 1760313928 HSOTYCKIWDJECD-WFXMLNOXSA-N 484.439 2.386 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2OC)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1760320224 TZNNBSUFVYVCEG-VRVBVOGLSA-N 456.543 2.295 30 10 JEEE C=CC[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccnn2)CC1)c1ccccc1 1760417912 KJAWAWKLXJGEOW-FPOVZHCZSA-N 496.641 2.365 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)cc1 1760529483 HXCAAFBHAYKENP-ZHALLVOQSA-N 496.655 2.051 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(CC(C)C)CC1 1760550678 GDXVQXIAILOEMK-UHFFFAOYSA-N 485.452 2.415 30 10 JEEE CO[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1)C(C)(C)C 1768083943 HFCNHPFGNWMJFY-IBGZPJMESA-N 460.604 2.350 30 10 JEEE C[C@H]1CN(C(=O)NS(=O)(=O)c2ccc(CCNC(=O)c3cccc(C#N)c3)cc2)C[C@@H](C)O1 1858987973 VNEGMBFFKZBJKE-CALCHBBNSA-N 470.551 2.038 30 10 JEEE CCN1CCN(S(=O)(=O)c2ccc(CCN=c3[nH]cc4c(c3C#N)CCCC4)cc2)CC1 1859511281 WPLKRISBDVRAFM-UHFFFAOYSA-N 453.612 2.235 30 10 JEEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccc(OC)cc1 1865724304 KWCFOGWPEMNNCC-GOSISDBHSA-N 470.570 2.264 30 10 JEEE CCC[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1)C(=O)Nc1ccc(C#N)cc1 1866593231 XBZGHFDFUDPVCZ-QFIPXVFZSA-N 483.594 2.032 30 10 JEEE C=CCn1cc(OCC(=O)Nc2c(Cl)cccc2Cl)c(=O)cc1CN(CCO)CCO 1870428053 PZDRWXMXEZYHDQ-UHFFFAOYSA-N 470.353 2.145 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)N(C)C[C@H]2CCCO2)cn1C[C@H]1CCCO1 1870550169 LXMLCIHOVZQDBY-FGZHOGPDSA-N 459.587 2.218 30 10 JEEE C=CCn1cc(OCC(=O)OCc2ccccc2)c(=O)cc1CNc1ccc(S(N)(=O)=O)cc1 1871067629 NTFGOKVQWLFUNS-UHFFFAOYSA-N 483.546 2.416 30 10 JEEE C=CCn1c(C(=O)NCCN(C)C)cc2c(N3CCN(c4ccccc4F)CC3)ncnc21 1873594913 HLOPKYUWNQDKHT-UHFFFAOYSA-N 451.550 2.374 30 10 JEEE COc1ccc(N2C[C@@H](c3nnc(SCCO)n3/N=C/c3ccc(O)c([N+](=O)[O-])c3)CC2=O)cc1 1874200782 KDAMLAUNUIAZRQ-GIEPYWIESA-N 498.521 2.388 30 10 JEEE C[C@@H]1CC[C@H]([C@H](NC(=O)OC(C)(C)C)C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)O1 2180991078 JHLKHODUJIJQFL-BMFZPTHFSA-N 462.356 2.175 30 10 JEEE CC1(C)OB(c2cc(C(=O)N3CCC(NC(=O)OCc4ccccc4)CC3)[nH]n2)OC1(C)C 2247826917 BKELONWJRRTDMK-UHFFFAOYSA-N 454.336 2.240 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NC[C@H]2COCCN(C(=O)OC(C)(C)C)C2)C1 2255189314 GWSJMPCMNQFTNX-WCCYLALTSA-N 451.564 2.293 30 10 JEEE CC1(C)OB(c2ccoc2C(=O)N[C@H]2CCOC[C@H]2NC(=O)OCc2ccccc2)OC1(C)C 2255650504 ZSNYGIWGEGIIHQ-RBUKOAKNSA-N 470.331 2.393 30 10 JEEE CC1(NC(=O)OC(C)(C)C)CN(S(=O)(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2255751615 CLDWXOYQSKZDRC-UHFFFAOYSA-N 452.382 2.274 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2255768083 MYEPTYRSQIMVRC-HNNXBMFYSA-N 472.438 2.476 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)sc1CNC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)O 2256623677 GOCMKQKKXMDMDP-XJKSGUPXSA-N 454.398 2.246 30 10 JEEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C 2256678590 FNWVIBMLXRYHPS-OAHLLOKOSA-N 454.398 2.281 30 10 JEEE CC(C)(C)OC(=O)NCc1cc(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)co1 2256682171 VQMLNUAYDZJCAH-UHFFFAOYSA-N 450.326 2.129 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)[C@H]2C[C@@H](B3OC(C)(C)C(C)(C)O3)C2)[C@@H](S(C)(=O)=O)C1 2267116415 OGFAEHUSWGDGJH-FZKCQIBNSA-N 472.413 2.008 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCN(C(=O)OC(C)(C)C)C(C)C 2267150960 GBTFNULKENHJKD-UHFFFAOYSA-N 450.389 2.403 30 10 JEEE Cc1ccc(S(=O)(=O)NOCCCNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2267702168 BUISVEZTNKGNBY-UHFFFAOYSA-N 470.397 2.419 30 10 JEEE Cc1cc(S(=O)(=O)N2CC(CNC(=O)OC(C)(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2267704319 LOOJUHLUZZHEIJ-UHFFFAOYSA-N 466.409 2.439 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CN(S(=O)(=O)c3cccc(B4OC(C)(C)C(C)(C)O4)c3)C[C@@H]21 2267716744 RQMMZRQEPUPFFV-BCDXTJNWSA-N 464.393 2.129 30 10 JEEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@H]3CCCN(C(=O)C(F)(F)F)C3)s2)OC1(C)C 2267716952 VQDIRKLIWYDXIL-GFCCVEGCSA-N 482.355 2.127 30 10 JEEE C=C(CS(=O)(=O)NC[C@@]12CN(Cc3ccccc3)C[C@H]1CCO2)B1OC(C)(C)C(C)(C)O1 2267720536 MHMPQQPMAXLIMK-NFBKMPQASA-N 462.421 2.385 30 10 JEEE CN(CCCN(C)S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)OC(C)(C)C 2267721979 UZPAGKCLXSZGAK-UHFFFAOYSA-N 469.413 2.258 30 10 JEEE C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(F)c(F)c1B1OC(C)(C)C(C)(C)O1 2268644018 KIZSYJIXJNMPDC-MEDUHNTESA-N 456.295 2.477 30 10 JEEE COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1NC(=O)[C@@H](O)[C@@H](C)NC(=O)OC(C)(C)C 2268654167 VXKLQXOTOOSVEH-DYVFJYSZSA-N 450.341 2.207 30 10 JEEE C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@@H](C)c1nscc1B1OC(C)(C)C(C)(C)O1 2268655628 OCCTZVXGJPJKKN-XEZPLFJOSA-N 469.413 2.236 30 10 JEEE COC[C@H](ONC(=O)OC(C)(C)C)C(=O)Nc1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)n1 2268657538 IYIMMTBICXICBW-ZDUSSCGKSA-N 471.747 2.444 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@H]2[C@@H](C(=O)NCc3sccc3B3OC(C)(C)C(C)(C)O3)[C@@H]21 2268721463 LMCYSHBHUIJKSP-YESZJQIVSA-N 464.393 2.298 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)CC[C@H]1C(=O)NCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2279285971 NBMQVIMNBXBIFO-OALUTQOASA-N 460.380 2.362 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2COC[C@@H]2NC(=O)OC(C)(C)C)c1 2281823051 WQAIGHRMGVAASS-MSOLQXFVSA-N 462.352 2.016 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2C[C@@H](CNC(=O)OC(C)(C)C)C2(C)C)n1 2282047490 YWCUVQZGHJZWQH-HOCLYGCPSA-N 462.400 2.389 30 10 JEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC[C@H](NC(=O)C(F)(F)F)[C@H](C)C1 2282308051 MAGSNRVFPYDQGA-YPMHNXCESA-N 496.382 2.433 30 10 JEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N(C1COC1)C1CN(C(=O)OC(C)(C)C)C1 2282569656 UVOMZCZHUPIUBN-UHFFFAOYSA-N 462.352 2.348 30 10 JEEE Cc1nsc(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 2282593196 MZJUOZKPGRCJOC-ZNMIVQPWSA-N 479.408 2.115 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2SC)n1 2282601207 ZZVUTPBLOFWQMT-JKSUJKDBSA-N 480.440 2.283 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)c1 2282679740 DRXCWUDRJKCUOY-MJGOQNOKSA-N 460.380 2.252 30 10 JEEE CC(C)(C)OC(=O)N1CC(Oc2ccc([N+](=O)[O-])c(B3OC(C)(C)C(C)(C)O3)c2)(C(=O)O)C1 2282993267 CPJMYSYRTPMYKB-UHFFFAOYSA-N 464.280 2.347 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)CC[C@H]1C(=O)NCc1ccccc1B1OC(C)(C)C(C)(C)O1 2284058591 OABCFIGIEBVNRH-MJGOQNOKSA-N 460.380 2.362 30 10 JEEE CC1(C)OB(c2cnc(-n3cnc4c(I)ncnc43)c(F)c2)OC1(C)C 2284335314 CNMRTYLNHNGXIK-UHFFFAOYSA-N 467.051 2.253 30 10 JEEE Cc1ncc(C(O)=C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccccc2F)c(C)n1 2296620614 XJZLHWUILCOJGM-OAQYLSRUSA-N 454.502 2.377 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CCS(C)(=O)=O)C(=O)N1CC[C@@H](B2OC(C)(C)C(C)(C)O2)C1 2319672300 QXJYTJGEIJQFSX-HUUCEWRRSA-N 460.402 2.009 30 10 JEEE CCO[C@@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)C[C@H]1CNC(=O)OC(C)(C)C 2359278799 FWVDNFJGKRCHDW-GDBMZVCRSA-N 481.424 2.444 30 10 JEEE C[C@H](CNC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 2362504538 DFFRADMHDXPJNH-JLCFBVMHSA-N 481.424 2.180 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@H]2C[C@H](NC(=O)c3coc(B4OC(C)(C)C(C)(C)O4)c3)C[C@H]21 2368868485 YVZAIBGZDXOZNU-BRWVUGGUSA-N 462.352 2.476 30 10 JEEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN([C@@H](C(=O)OC)c3ccc(Cl)cc3)CC2)cc1 25154996 FIWSGPQKBCIZMF-OAQYLSRUSA-N 491.997 2.476 30 10 JEEE Cc1ccc(OC[C@@H](O)Cn2c(N/N=C/c3ccc(Cl)cc3)nc3c2c(=O)[nH]c(=O)n3C)cc1 33438690 SZVUGEMZWRJMST-XMQIJXBMSA-N 482.928 2.271 30 10 JEEE COC(=O)c1cc(C)nc2c1c(=O)n(CC(=O)Nc1cccc(C#N)c1)c(=O)n2-c1ccccc1 46077264 KVILLWNDURQPKF-UHFFFAOYSA-N 469.457 2.153 30 10 JEEE NC(=NO)c1cc(F)ccc1Cn1cnc(I)c1I 311413354 ZVLIWTWXNQCGFZ-UHFFFAOYSA-N 486.026 2.374 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)C[S@@](=O)CCCN2C(=O)c3ccccc3C2=O)nc1C 586305005 VXFYLUJJXBELMM-YTTGMZPUSA-N 475.548 2.168 30 10 JEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCN(C(=O)c2ccc(O)nc2)CC1 609171199 FKXSVGKCHWTDON-UHFFFAOYSA-N 489.326 2.183 30 10 JEEE NS(=O)(=O)c1ccc(NC(=O)CCSc2n[nH]c(NN=Cc3ccc(F)cc3)n2)cc1 1084167653 QKXJEPYYXGFLFM-UHFFFAOYSA-N 463.520 2.158 30 10 JEEE C=CCCC[C@@H](C)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 1127430580 YQPPPVNCMOGMTF-GOSISDBHSA-N 451.589 2.019 30 10 JEEE Cc1c(C#N)c(=O)n(CC(=O)N[C@H](c2ccc3c(c2)OCCCO3)C(C)C)c(=O)n1C1CC1 1189921912 GSHBAXGGICIYJI-QFIPXVFZSA-N 452.511 2.200 30 10 JEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(COC)CCOCC1 1286377089 RSAZIDWOFSTDNK-GOSISDBHSA-N 463.579 2.099 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@](C)(O)c1ccco1)[C@H]1CCS(=O)(=O)C1 1286381241 FRSLMEQGWOOYRO-MBSDFSHPSA-N 470.551 2.081 30 10 JEEE C#CCN(c1nnc(-c2cc3ccccc3o2)n1C[C@@](C)(O)CCOC)[C@H]1CCS(=O)(=O)C1 1286382483 JHPYMBXWVKUXRW-MBSDFSHPSA-N 472.567 2.106 30 10 JEEE C#CCN(c1nnc(CC)n1C[C@H](C1CC1)N(C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1286395630 RZLYDYPRWURBAA-FCHUYYIVSA-N 455.628 2.378 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1ccc(COC)cc1)[C@@H]1CCS(=O)(=O)C1 1286395670 SMGQFLBCOVFNFE-JOCHJYFZSA-N 465.579 2.085 30 10 JEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 1286494243 KRPPLMUQYZKOIG-UHFFFAOYSA-N 458.588 2.083 30 10 JEEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1286633055 DMZRNBPPVHACIR-ZCNNSNEGSA-N 453.031 2.359 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCN([C@H](C)c2nc(CC)no2)CC1 1286784121 AAHWFQCAZSLYCZ-QGZVFWFLSA-N 480.573 2.085 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC(CC(=O)NC2CCCC2)CC1 1286788717 DEWHEPHWMBBVAD-UHFFFAOYSA-N 465.602 2.231 30 10 JEEE C=CCOc1ccc(Cn2c([C@H]3CCCO3)nnc2N2CC[C@@H](S(=O)(=O)NCC)C2)cc1 1286796290 ITTYPYUTALLVLT-WOJBJXKFSA-N 461.588 2.261 30 10 JEEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(COCC(F)(F)F)cc1 1300430472 MZVGQLGVULGPJG-CQSZACIVSA-N 459.494 2.085 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCc1ccc(OC)cc1OC)[C@@H]1CCS(=O)(=O)C1 1300496263 PARPZTCEZFMXIA-CTNGQTDRSA-N 488.610 2.406 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1CCNC(=O)C(C)(C)C 1300648096 DWIOWQMKHLLEJJ-UHFFFAOYSA-N 454.550 2.342 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2CCCN2C[C@H](C)O[C@@H](C)C2)CC1 1300701402 RHVOYVGIENQQQQ-SFTDATJTSA-N 454.594 2.263 30 10 JEEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCc2ccc(OC)c(OC)c2Cl)CC1 1300706337 KKNPLLDLKZJHAB-UHFFFAOYSA-N 487.004 2.069 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3CC)n2Cc2ccc(C)n(C)c2=O)CC1 1300710288 ZJUCPSBGNGNSEY-UHFFFAOYSA-N 460.582 2.230 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCOC[C@@H]1OC 1300789185 BCHKIGYYIXBQIE-GREBRCKQSA-N 458.584 2.392 30 10 JEEE N#Cc1cccc(-c2nnc(N3CCN(C(=O)CN4CCOCC4)CC3)n2CCCC(F)(F)F)c1 1302986596 GSICUTGHEUKULT-UHFFFAOYSA-N 491.518 2.140 30 10 JEEE CC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1)NC(=O)OC(C)(C)C 1305813588 GWKBPLFVPNDNLR-OALUTQOASA-N 480.573 2.334 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N[C@H]2CCc3ncc(Br)n3C2)C1 1312468053 BCLAUJJVYWUROJ-AVGNSLFASA-N 453.341 2.019 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(C(=O)N2CCCC2)n1CC(C)(C)N1CCOCC1 1316085550 BHAIFNTZMIRNQR-UHFFFAOYSA-N 495.628 2.150 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1(N2CCOCC2)CC1 1358870911 WNGZDWVMUZINBX-QGZVFWFLSA-N 456.978 2.184 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(Cl)c(OC)c(OC)c1 1358872723 XYVDYUIGZMLQHL-OLZOCXBDSA-N 455.968 2.065 30 10 JEEE C#C[C@H](C)N(C)c1nnc(Cc2csc(C)n2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1358894515 QFNJUHNOXPVYOE-KVSKMBFKSA-N 462.645 2.296 30 10 JEEE C#CCN(C)c1nnc(-c2ccc(OC)cc2OC)n1CC1(NC(=O)OC(C)(C)C)COC1 1358943959 BQDYJUNVQPEPQJ-UHFFFAOYSA-N 457.531 2.325 30 10 JEEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1359038155 LZCMJMWRNOKDGA-OAQYLSRUSA-N 471.627 2.054 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H](C)c2nccs2)CC1 1359048489 SCKXSYHFQINCJQ-WDSOQIARSA-N 472.615 2.228 30 10 JEEE C#CCSCCn1c(-c2ccccc2OC)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1359053631 SNBRYWKFWCNAQU-HXUWFJFHSA-N 468.627 2.063 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H](C)CN1CCN(CC)CC1 1359074754 QCDTXOVMRDMOID-DEJKCJRPSA-N 458.651 2.268 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)N2CCC(C)CC2)CC1 1359178866 DYHQOSFMAFKHMO-TZIWHRDSSA-N 480.679 2.134 30 10 JEEE C=CC1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCCN2CCC[C@H]2C(=O)N(C)C)CC1 1359182595 MDWWWFQGIPMJGA-FKBYEOEOSA-N 474.650 2.347 30 10 JEEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2c(F)ccc(F)c2C1 1359227591 FRLBLTMONHVGAK-FQEVSTJZSA-N 497.568 2.045 30 10 JEEE C=CCCOCCn1c([C@H]2CCCO2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1359229499 KSFREPZPEMUGQD-KSEOMHKRSA-N 460.623 2.101 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](c2nc(C(C)C)cs2)C1 1359292195 KAZJNKGZFOMIBK-HOTGVXAUSA-N 495.675 2.154 30 10 JEEE C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCNC(=O)[C@@H]1c1ccc(I)cc1 1478854391 TZTJKOQUVMCING-BPUTZDHNSA-N 455.296 2.065 30 10 JEEE CCN(CC)C(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(CS(C)(=O)=O)CC2)CC1 1501789011 BRHZISVAAADZBP-UHFFFAOYSA-N 499.641 2.225 30 10 JEEE CCO[C@@]1(c2nnc(N(C)C[C@@H](C)C#N)n2CCNC(=O)c2ccc(C)c(F)c2)CCOC1 1502626809 CJJDAXNHBVJWMA-HJPURHCSSA-N 458.538 2.404 30 10 JEEE CS(=O)(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC=CO2)C1 1505128698 CRKNGNBZFBFMHN-WOJBJXKFSA-N 457.556 2.435 30 10 JEEE C#CCCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1507563629 YZBAOZYFBXYPQR-KRWDZBQOSA-N 461.588 2.236 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H](C)Oc1ccccc1OC)[C@H]1CCS(=O)(=O)C1 1507637616 LJOOUYNKEYKYOW-LVCYWYKZSA-N 474.583 2.232 30 10 JEEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@]1(OC)CCOC1 1507650321 HXCJZOVUZMMYGB-XMMPIXPASA-N 457.575 2.271 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1([S@@](C)=O)CCC1 1507652847 LNPPNLVTXNTDMZ-MGBGTMOVSA-N 462.579 2.049 30 10 JEEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2CCN2CCOC(C)(C)C2)CC1 1507726636 JTMMFNLKNMZXAN-UHFFFAOYSA-N 452.603 2.032 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H](C)N2CCC[C@@H](C)C2)CC1 1507733739 KJDVOXPWZHLJLX-WOJBJXKFSA-N 485.677 2.283 30 10 JEEE C=CCCOCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCN(C(C)=O)CC1 1507962005 KGFACGIHUAYFPF-UHFFFAOYSA-N 479.585 2.497 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCN2CCCS2(=O)=O)C1 1508130785 IQMMMVGIMBETIV-HXUWFJFHSA-N 475.615 2.291 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCC[C@H](C(F)F)C2)nnc1[C@@]1(OC(C)C)CCOC1 1508149756 WYGWRBJGYAIZSX-OXJNMPFZSA-N 462.563 2.401 30 10 JEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(CN2C[C@H](C)O[C@H](C)C2)CC1 1539052010 AXYFTAPFHJMUPA-HSALFYBXSA-N 480.679 2.017 30 10 JEEE C#CCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1539131961 ANVQSXXANZETRQ-QFIPXVFZSA-N 463.630 2.113 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCC[C@@H](O)C1 1539311917 BWUMSFFYKBSFAE-RTBURBONSA-N 454.600 2.252 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCc2n[nH]c(C)n2)CC1 1539488120 HULDTMOVQKCPCV-UHFFFAOYSA-N 476.585 2.109 30 10 JEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(C2Cc3ccccc3C2)CC1 1539491484 RTIAYDYOVIQISQ-UHFFFAOYSA-N 452.628 2.072 30 10 JEEE C=C(Br)Cn1c(C2CCC2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1539595592 DUTZLNGYRBUTJT-UHFFFAOYSA-N 484.424 2.007 30 10 JEEE C=CCCOCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCN(C)C(=O)[C@H]1C 1540033258 CHANBVJYZKGGMQ-GOSISDBHSA-N 479.585 2.325 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc(CNC(=O)c2cccs2)n1Cc1nnn(C)n1 1540139641 JFBPKKDTXZMVGG-UHFFFAOYSA-N 467.534 2.173 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2c(c1)CCCO2 1540171519 ZWJDDHKZSNDKAD-OAQYLSRUSA-N 473.599 2.163 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nc(C(F)(F)F)cs1 1540200972 MEMBQCBYNZATCZ-GFCCVEGCSA-N 465.523 2.343 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Br)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1540900204 NZPGNVFRAQNGEX-CVEARBPZSA-N 497.371 2.423 30 10 JEEE C[C@H]1CCCCN1CCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1 1544022779 AACDJAQKHJYTNG-PZJWPPBQSA-N 493.678 2.006 30 10 JEEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1 1564021662 CMOYYYBFEHECNV-UHFFFAOYSA-N 453.483 2.421 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1Cc1nccn1C(F)F)[C@@H]1CCS(=O)(=O)C1 1588059734 TZKDUDGHHNZGFD-GOSISDBHSA-N 474.537 2.444 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CCN1CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1588069010 FCZBWPAVXCKESR-SFTDATJTSA-N 471.627 2.277 30 10 JEEE C#CCN(c1nnc(CCOc2ccccc2)n1C[C@@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1588070102 WPUWLHHZMIPCSO-FPOVZHCZSA-N 458.584 2.095 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1589559965 VXYUWADTYLTMIV-GCJKJVERSA-N 474.631 2.105 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCOC(C)(C)C 1594498323 SLJCEMMNLRBBIQ-QGZVFWFLSA-N 457.641 2.465 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1595785194 UHFQWNOGRAZBEU-HSZRJFAPSA-N 486.598 2.040 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)CCc1ccc(Br)cc1 1595788724 HXMFSMONGNVQGS-QGZVFWFLSA-N 496.431 2.271 30 10 JEEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N2CCOCC2)C[C@H](C)S1 1612977485 DQYNFMFDAFBRRS-ROUUACIJSA-N 470.599 2.308 30 10 JEEE Cn1nc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2CC(=O)NCC(F)(F)F)c2ccccc2c1=O 1618487956 FJMLEVOAEFLVBA-OAQYLSRUSA-N 488.474 2.001 30 10 JEEE C=C(C)C[C@@H](NC(=O)CN1CCN(Cc2ccc(Br)cc2F)CC1)C(=O)OC 1642697926 CPUHBKYJEFFXRB-GOSISDBHSA-N 456.356 2.330 30 10 JEEE C#CCN(c1nnc(C)n1Cc1ccc(OC)c(Br)c1)[C@H]1CCS(=O)(=O)C1 1689982773 UFTKRDQPAFVUIG-HNNXBMFYSA-N 453.362 2.033 30 10 JEEE C#CCN(c1nnc(CCOc2ccccc2)n1Cc1cnc(C)s1)[C@H]1CCS(=O)(=O)C1 1689993800 LSUNHXSEUBYVQZ-SFHVURJKSA-N 471.608 2.340 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1nnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1689998501 NULPJIIVUOVLOF-JFIYKMOQSA-N 478.644 2.032 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H]1CCCN(C(C)=O)C1 1690098058 UCUIRFSPJMSEBO-IBGZPJMESA-N 455.559 2.307 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2ccc(C)cc2C)CC1 1690134976 NKNKOFGRBYJLTJ-UHFFFAOYSA-N 462.598 2.339 30 10 JEEE C=C(Br)Cn1c([C@H](C)CC)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1690219428 DLZPNOGTNQBMLU-CYBMUJFWSA-N 473.397 2.340 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1690249310 WXIBYXMTVDMQAH-WMZHIEFXSA-N 488.658 2.495 30 10 JEEE C=C(C)COCCn1c(CC)nnc1N1C[C@@H](C(=O)OC)[C@H](CNC(=O)OC(C)(C)C)C1 1690312952 HKSYKGSJYRWVGT-IAGOWNOFSA-N 451.568 2.183 30 10 JEEE C=CCN(c1nnc(C(=O)N2CCCC2)n1CC[C@@H](N1CCOCC1)C(F)(F)F)C1CC1 1690536473 ZRJUOTGVXBNXRV-QGZVFWFLSA-N 456.513 2.322 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCN1CC 1690577808 NMIRRVXAPJYQNS-AZUAARDMSA-N 494.687 2.349 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC2(CC1)COC(=O)N2)C(C)C 1690581122 LDRAOVHLTGRWMN-RBUKOAKNSA-N 471.606 2.007 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc2cccnc12 1690597616 ZBAMABOGCHNNDM-HXUWFJFHSA-N 468.583 2.386 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc(C(N)=O)cc1 1692657008 CJLZXSMKYNDAGZ-HNNXBMFYSA-N 466.571 2.124 30 10 JEEE COc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CCN(CC(F)(F)F)C2)cc1 1697492502 BAPZKTXSGQDBEZ-VQIMIIECSA-N 480.491 2.479 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1CCc1cccc(OCCC)c1)[C@@H]1CCS(=O)(=O)C1 1705566491 OPRJPYZXYSELMT-HXUWFJFHSA-N 480.594 2.393 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cccnc1OC 1705628710 NHEMNMDRAPDGRX-IBGZPJMESA-N 486.573 2.124 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1CCCC[C@@H]1C 1705716757 UUOYVIRKFHYYMW-PMACEKPBSA-N 468.668 2.278 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1705785930 BRNVXGRFEDLOTB-MOPGFXCFSA-N 468.668 2.039 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1705905026 GSRVMJRMLZVEAO-HXUWFJFHSA-N 476.585 2.075 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cc(OC)ccc2OC)C1 1705925086 LBUISLGFZKZICL-LPHOPBHVSA-N 462.572 2.027 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3ccccc3n2)nnc1N(C)CCn1cccn1 1705933055 SLIGYAAYEZUDGM-UHFFFAOYSA-N 451.556 2.427 30 10 JEEE C[C@H](C#N)CN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ncccc1N(C)C 1706068136 FNMPDNNBTXFPDQ-QGZVFWFLSA-N 482.614 2.301 30 10 JEEE CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCC[C@H]2C(=O)N(C)C)C[C@@H]1C 1710277261 AWIRJMBQXZFRQE-REWPJTCUSA-N 478.645 2.290 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1Cc1ccc(N(C)C)nc1)[C@H]1CCS(=O)(=O)C1 1722360528 AADVDLZGMKBEGI-FQEVSTJZSA-N 480.594 2.090 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCCN(CC)CC)[C@@H]1CCS(=O)(=O)C1 1722360782 WDKBZSNUHBETJE-OAQYLSRUSA-N 454.600 2.175 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1Cc1ncccc1C)[C@H]1CCS(=O)(=O)C1 1722370234 MGEIRTCJNIORAH-SFHVURJKSA-N 469.542 2.375 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CC(F)(F)CO1)[C@@H]1CCS(=O)(=O)C1 1722371347 VKLFECKWPPONCO-XMTFNYHQSA-N 486.585 2.248 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1CCN(C(=O)OC)CC1 1722390147 PCARKVZKVQWYEI-UHFFFAOYSA-N 483.594 2.290 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCCCC1 1722422729 TUXXOFGBUAEELL-FQEVSTJZSA-N 459.591 2.445 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1CC1(S(C)(=O)=O)CCCC1 1722427245 SGSBVZCQNVPGQT-FQEVSTJZSA-N 474.583 2.234 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCN(C(C)C)C(C)C)CC1 1722432147 UGFNSRDBSJSFNN-UHFFFAOYSA-N 452.607 2.190 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccccn3)n2CCc2ccc(OCCN(C)C)cc2)CC1 1722435845 VHIVSKLANWTWTC-UHFFFAOYSA-N 459.598 2.278 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC(=O)NCC=C)CC1 1722442504 UKVRXXVFMVLDMN-UHFFFAOYSA-N 450.587 2.212 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CC[C@@H]2COCCO2)CC1 1722450493 KLRUCAWGAYTHLB-HSZRJFAPSA-N 481.597 2.245 30 10 JEEE C=CCn1c(COc2ccccc2OC)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1722690837 GFADRVPHDWYNHH-QUCCMNQESA-N 454.575 2.041 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccc3OC)n2CC2CCS(=O)(=O)CC2)C1 1722722844 SRTOMKVTPJQJBH-HXUWFJFHSA-N 460.600 2.484 30 10 JEEE Cc1nn(C)c(N2CCN(c3nnc(C(C)C)n3CCCN3C[C@@H](C)O[C@H](C)C3)CC2)c1C#N 1725860500 CJKTYUQOAFERQW-RTBURBONSA-N 469.638 2.141 30 10 JEEE CC[C@H](C)[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C#N)cn2)CC1)OC 1726839717 HVYCIISJIBQEFF-HKUYNNGSSA-N 454.579 2.071 30 10 JEEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1740566135 PEYYRSXLUHEDIT-PZJWPPBQSA-N 484.626 2.056 30 10 JEEE C#CCN(c1nnc([C@@H](C)CC)n1CCn1cc(Br)cn1)[C@H]1CCS(=O)(=O)C1 1740617758 WXUWPPRONWVBBS-HOCLYGCPSA-N 469.409 2.078 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@H](OC)C(C)C)[C@H]1CCS(=O)(=O)C1 1740619810 LKGLKDVHEFFLBK-IRXDYDNUSA-N 451.980 2.291 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@@H]1CCCN1CC)[C@H]1CCS(=O)(=O)C1 1740619863 LXOAFJZYUJLVTI-PMACEKPBSA-N 457.600 2.065 30 10 JEEE C=C(Br)Cn1c(-c2ccc(CC)cc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1740740696 HPRFBTJGDPBTAB-UHFFFAOYSA-N 487.402 2.343 30 10 JEEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1740793467 JSHXVXTYKWIHHQ-ZJSXRUAMSA-N 481.645 2.236 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 1740962511 FZLGIXDOGACWOP-TZIWHRDSSA-N 499.685 2.050 30 10 JEEE C#CCCCCn1c(-c2ccccc2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1748709301 SENXXNUXHPUSIS-OAQYLSRUSA-N 457.600 2.379 30 10 JEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cnn2ccccc12 1748789557 MMRRKISTQLOKFA-IBGZPJMESA-N 451.531 2.352 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CC(=C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1748802197 NFEAFYIWKOPHFP-HXUWFJFHSA-N 476.562 2.266 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCN(C(C)C)C(C)C)[C@H]1CCS(=O)(=O)C1 1748816368 ZMNIDJUUDSHVOL-PMACEKPBSA-N 451.637 2.265 30 10 JEEE C=CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1749609582 VFPMFSWZMFPYMZ-KRWDZBQOSA-N 477.587 2.161 30 10 JEEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCCC(C)(C)C1 1749652005 FPLYDFKSTOCBPK-UHFFFAOYSA-N 459.620 2.475 30 10 JEEE C#CCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1760176148 ZRUSZXBNUQAKGJ-ZWKOTPCHSA-N 451.449 2.123 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1CCc1noc(CC)n1)[C@@H]1CCS(=O)(=O)C1 1760184209 GVJRSMWJNWSOSC-QGZVFWFLSA-N 454.556 2.068 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H](C)Oc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1760189309 UDBCLEYHPWGJDG-SCTDSRPQSA-N 462.547 2.015 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@](C)(O)c1ccco1)[C@H]1CCS(=O)(=O)C1 1760192068 QARJEEHERQJOEH-RDPSFJRHSA-N 468.579 2.191 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(c2ccc(F)cc2)CCOCC1 1760205456 BOJJPLDTSSRHDW-IBGZPJMESA-N 470.570 2.141 30 10 JEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(-n2ccnc2C)nc1 1760207747 VCZDIMOBVGKYPG-UHFFFAOYSA-N 470.562 2.280 30 10 JEEE C#CCN(CC)c1nnc(-c2cc(Br)c[nH]2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1760226094 JSVUZTWDHIKQEQ-GOSISDBHSA-N 476.423 2.438 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCCS(=O)(=O)C1 1760243642 ONJCJRSLXSBHAB-IBGZPJMESA-N 473.574 2.004 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CCOc2ccc(OC)cc2)CC1 1760271778 LRPUUKKPHBEZNK-UHFFFAOYSA-N 474.565 2.317 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCSC2(CCOCC2)C1 1760272480 LUUCNIQGTYTZAK-UHFFFAOYSA-N 458.613 2.394 30 10 JEEE C=C(Br)Cn1c(Cc2ccncc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1760310096 RRODRBONTDLYLM-SFHVURJKSA-N 452.378 2.188 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC(C(=O)NCCCOC)CC1 1760336119 VCJVNXBPSYYZBG-TZIWHRDSSA-N 471.606 2.029 30 10 JEEE C=C(C)COCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(NC(C)C)CC1 1760353690 BKPZDRWUCNUUAZ-UHFFFAOYSA-N 451.579 2.480 30 10 JEEE C=C(Cl)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 1760372306 FHYSBIPFUZJWLH-QGZVFWFLSA-N 454.000 2.262 30 10 JEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](c2cccc(C)c2)N2CCOCC2)CC1 1760382110 IZSCCLXBRNGMRH-UNMCSNQZSA-N 488.658 2.427 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CC[C@H](S(C)(=O)=O)C1 1760517300 ITGYKAQHPIRCKC-ZBFHGGJFSA-N 463.629 2.057 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 1760525126 VFFBOQCZKYDZOV-QGZVFWFLSA-N 468.583 2.167 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@H](C)[C@H]1C 1760553627 GAKYZDJFRNPLHV-HZPDHXFCSA-N 456.572 2.028 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@@H](COC)C1 1760554419 DDGYOOOASHWPIA-YLJYHZDGSA-N 462.572 2.254 30 10 JEEE CC(C)OCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)CN2CCOCC2)CC1 1761433342 ABMFIBSZNGQEMJ-JOCHJYFZSA-N 481.645 2.332 30 10 JEEE C[C@]1(C#N)CCCN(c2nnc(CN3CCCC3=O)n2CCNc2nccc(C(F)(F)F)n2)C1 1761545785 IFKFDNQARJFKFE-HXUWFJFHSA-N 477.495 2.451 30 10 JEEE CCCCn1cc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3ccc(C#N)cn3)CC2)c(C)n1 1765804030 HPTXIBKDSUVOGD-UHFFFAOYSA-N 490.616 2.363 30 10 JEEE CCS(=O)(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2c(C)noc2C)CC1 1766706538 ABFILWONJVLDRM-UHFFFAOYSA-N 469.571 2.378 30 10 JEEE CN(c1nnc(-c2ccc(C#N)cc2)n1C[C@](C)(O)c1cccs1)[C@H]1CCS(=O)(=O)C1 1768539138 FJEKCGGXLCIESB-UWJYYQICSA-N 457.581 2.409 30 10 JEEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C2CCCCC2)N(C)C)CCO1 1769242684 ICGWFKVZIYGNIK-YADHBBJMSA-N 465.602 2.278 30 10 JEEE O=C(/C=C/c1ccccc1[N+](=O)[O-])C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 1860730874 KSPGWMDUDAJZHB-VMPITWQZSA-N 479.898 2.490 30 10 JEEE CN(C)CCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1862568487 PXSVASUBUREBBB-HXUWFJFHSA-N 468.466 2.088 30 10 JEEE CCCCCCCOc1cn(CCN2CCOCC2)c(CN2CCN(C(C)=O)CC2)cc1=O 1870411202 XUQOWQURXJTYBB-UHFFFAOYSA-N 462.635 2.194 30 10 JEEE C#CCOc1cn(CCN2C(=O)CSC2=O)c(CN2CCN(c3ccccc3F)CC2)cc1=O 1870562668 QMODCPWBNLDDGT-UHFFFAOYSA-N 484.553 2.017 30 10 JEEE C=CCN=c1nc(N(CCO)Cc2ccccc2)[nH]c(=Nc2cc(OC)c(OC)c(OC)c2)[nH]1 1871563680 DZKQPSRWJQXGNK-UHFFFAOYSA-N 466.542 2.082 30 10 JEEE CC(C)N1C(=O)CS[C@@H](C(=O)NCc2ccnc(N3CCOCC3)c2)[C@H]1c1ccc(C#N)cc1 1892063415 COXUWRAUKNXWIL-DNQXCXABSA-N 479.606 2.500 30 10 JEEE CCOP(=O)(OCC)c1c(S(C)(=O)=O)nn(-c2ccnc(C#N)c2)c1Br 2080593269 DQMFEXGHTOFIEE-UHFFFAOYSA-N 463.250 2.196 30 10 JEEE CC(C)(C)OC(=O)NCC1(C(=O)NCCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)COC1 2188027905 VVAHWIXJWKBOIK-UHFFFAOYSA-N 460.380 2.186 30 10 JEEE CC(C)(C)OC(=O)N1CCN(CC(=O)N2CC[C@H]3C[C@@]3(B3OC(C)(C)C(C)(C)O3)C2)C(=O)C1 2194129653 VZWMTUQDLKBYGA-QMHKHESXSA-N 463.384 2.151 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CC[C@H]1NC(=O)OCc1ccccc1 2255625087 MMBNUFKKBPZZPO-RTBURBONSA-N 468.363 2.389 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2255832729 QKSLAXWWMHCMSQ-HNNXBMFYSA-N 452.382 2.413 30 10 JEEE Cc1c(C(=O)NCC(C)(C)CNC(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2267193891 LTRKILRVZNNMKD-UHFFFAOYSA-N 450.389 2.308 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)[C@H]2COC[C@@H]12 2267287354 USRHEZPRQBZULF-ZNMIVQPWSA-N 464.393 2.411 30 10 JEEE CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1c(C)nsc1B1OC(C)(C)C(C)(C)O1 2267529544 MRVNDOFNDXHYTK-KBPBESRZSA-N 467.397 2.115 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2[C@@H]1NC(=O)c1csc(B2OC(C)(C)C(C)(C)O2)c1 2267562003 WZJBSTPXGAGZIV-SVGFKBNWSA-N 464.393 2.458 30 10 JEEE CC[C@H]1CN(C(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)CC[C@@H]1NC(=O)OC(C)(C)C 2281975183 JHMFHABOQJSFBI-RDJZCZTQSA-N 462.400 2.485 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2CCN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)CC[C@H]2C1 2281984675 HJGAVMNABGTBRN-IYBDPMFKSA-N 460.384 2.428 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCCO[C@@H]2[C@H]1NC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2282031382 RHKFPKTYRVVMEF-UKMLZYKCSA-N 479.408 2.243 30 10 JEEE C[C@H]1C[C@@H](NC(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CCN(C(=O)OC(C)(C)C)C1 2282034743 MFSPBLCLYSCBRA-HOTGVXAUSA-N 462.400 2.485 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)n1 2282050820 PHKMSBKNRKMVLF-FQEVSTJZSA-N 451.376 2.320 30 10 JEEE Cn1ncc(C(=O)NC[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2282054503 RJEMKMKUMBTXSM-LBPRGKRZSA-N 476.305 2.295 30 10 JEEE Cn1cc(C(=O)N2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@]3(C)C2)nc1B1OC(C)(C)C(C)(C)O1 2282062689 BUAVAKKEARTXAV-WNSKOXEYSA-N 460.384 2.048 30 10 JEEE CC1(C)OB(c2cncc(C(=O)NCC[C@H]3CN(Cc4ccccc4)CCO3)c2)OC1(C)C 2282181205 CKEYIGXTOWACOM-QFIPXVFZSA-N 451.376 2.402 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@@]1(C)CNS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282351811 GPCMWPNVEYBBJA-QFIPXVFZSA-N 481.424 2.449 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@](CO)(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2F)C1 2282401889 XZINQFLEXJFUPG-HSZRJFAPSA-N 464.343 2.227 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CCOC[C@@H](NC(=O)OC(C)(C)C)C1 2282696118 YQKFXOHBCWFAIW-KRWDZBQOSA-N 463.384 2.173 30 10 JEEE CC1(C)OB(c2ccc(O)c(C(=O)NC[C@H]3COCCN3Cc3ccccc3)c2)OC1(C)C 2282991958 MYHVVTSAZFDRCF-FQEVSTJZSA-N 452.360 2.322 30 10 JEEE CN(Cc1ccccc1B1OC(C)(C)C(C)(C)O1)C(=O)[C@@H](NC(=O)OC(C)(C)C)C1COC1 2284018589 VOGYEBOJOUNDJK-IBGZPJMESA-N 460.380 2.484 30 10 JEEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)[C@H](CN)[C@H](CNC(=O)OC(C)(C)C)OC 2327301013 BZWGQOSWHNOQKW-MOPGFXCFSA-N 454.612 2.188 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1CC2(C1)C[C@H]2NC(=O)OCc1ccccc1 2337204385 KOEDXPXVIAFLBE-JXHCQPQMSA-N 480.374 2.297 30 10 JEEE CC(C)(C)OC(=O)N1CCN(CCOc2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)CC1 2345674464 QAHRUXOFPKTYIB-UHFFFAOYSA-N 451.348 2.451 30 10 JEEE CC(=O)Nc1cccc(NC(=O)CSc2nnc(N/N=C/c3ccc([N+](=O)[O-])cc3)n2N)c1 20291969 HMQBZYDAYJKQHV-UFFVCSGVSA-N 469.487 2.035 30 10 JEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(CCOc3ccc(Cl)cc3)CC2)cc1 28635469 ZRLAAMPDADJOAA-UHFFFAOYSA-N 461.971 2.088 30 10 JEEE N/C(=N/O)c1cn[nH]c1NC(=O)c1cc(Br)ccc1I 236330218 IYNJGFQLMIZTBR-UHFFFAOYSA-N 450.034 2.124 30 10 JEEE N#Cc1cc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)ccc1F 488895450 ZEGWWONYARTCNK-UHFFFAOYSA-N 488.360 2.155 30 10 JEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCc3cccnc3-n3ccnc3)nnc12 913210209 RZBOFIKQAVAHGW-UHFFFAOYSA-N 472.534 2.219 30 10 JEEE COC(=O)c1ccc(C=NNc2nnc(SCCC(=O)NCc3ccc(OC)cc3)n2N)cc1 1084404284 MTEFEXUSFIKEFZ-UHFFFAOYSA-N 483.554 2.032 30 10 JEEE C#CCN1CCN(C(=O)CSc2n[nH]c(-c3ccc(OC)c(Br)c3)n2)CC1 1166141757 YPNXBFIIVDXLCB-UHFFFAOYSA-N 450.362 2.112 30 10 JEEE C#CCN(C)c1nnc(-c2ccccc2Br)n1C[C@H]1CCN(S(C)(=O)=O)C1 1286371527 VKRNDMCDCGVHOG-AWEZNQCLSA-N 452.378 2.059 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCc1ccnc(C(C)(C)C)n1 1286419755 DUJDPMIVTDCLET-SFHVURJKSA-N 471.631 2.072 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1cc(C)on1 1286421953 SRFJNMVQLFRZLH-UHFFFAOYSA-N 452.540 2.003 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(C(N)=O)CCOCC1 1286428495 CZYZIYOATXEDNP-FQEVSTJZSA-N 498.628 2.138 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCC(=O)N1CCCCC1 1286462351 IEWGJWSYRMELRZ-UHFFFAOYSA-N 491.596 2.164 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1CC1(NC(=O)OC(C)(C)C)COC1 1286463402 FPGHVWFVGJJNMK-UHFFFAOYSA-N 485.541 2.054 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCCOC[C@@H]2CCOC2)CC1 1286469828 MJBCNSVVVVQEOZ-QFIPXVFZSA-N 480.613 2.346 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCCN(CC)S(C)(=O)=O)CC1 1286475078 WQYJAZNVMFTCSD-UHFFFAOYSA-N 483.013 2.164 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CCC(C)(C)C)CC1 1286549510 XSPASYRZOBWNBA-AQNXPRMDSA-N 482.695 2.428 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1286549744 GVIQCKDTIRTQCV-ISKFKSNPSA-N 477.613 2.445 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1286672134 HJXVSOXTYBSXEM-LEWJYISDSA-N 478.707 2.387 30 10 JEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1ccc(CC)cc1)N(C)C 1286726285 DDFLPBXTELONTF-LEWJYISDSA-N 476.647 2.099 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCCOC2)n1CCN1CCCS1(=O)=O 1286763073 SLVIUERYVSYHIR-NRFANRHFSA-N 459.616 2.443 30 10 JEEE C=CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1286832720 NSDOMVRHXZSMGZ-MOPGFXCFSA-N 485.676 2.070 30 10 JEEE C#C[C@H]1CCCCN1C(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1CC 1289624656 LMRVZASYXPVLJH-SFHVURJKSA-N 458.584 2.024 30 10 JEEE CCc1cnc(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCN(CC(=O)N(C)C)CC2)s1 1292623089 CCZJTHSUBXLDFU-UHFFFAOYSA-N 478.626 2.289 30 10 JEEE CN(c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCN1S(C)(=O)=O)[C@@H]1CCSC1 1298186490 BEKKBIHKZJXDSG-QZTJIDSGSA-N 476.628 2.094 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(C)cc1N1CCOCC1 1300553776 RYLPGNKLLAHFKI-UPVQGACJSA-N 463.582 2.268 30 10 JEEE C#CCN(C(=O)c1ccc(NC(=O)C[C@@H]2SC(N3CCCC3)=NC2=O)cc1)C1CSC1 1300608114 VMRUOIZFHQDQJW-SFHVURJKSA-N 456.593 2.300 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cccc2c1OCCCO2 1300675990 JNMSFVHUBMULDY-UGKGYDQZSA-N 456.543 2.298 30 10 JEEE C#CCSCCn1c(N2CCO[C@H](c3cnn(CC)c3)C2)nnc1[C@@]1(OCC)CCOC1 1300778349 SZRKSVKBUOVYIM-SIKLNZKXSA-N 460.604 2.091 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1300885759 SKLOGLQIEREHJP-HBFSDRIKSA-N 467.636 2.061 30 10 JEEE C=CCCOCCn1c(-c2ccccc2OC)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1301245842 HZEWBTMWZNLJCB-UHFFFAOYSA-N 454.531 2.067 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1cccs1)N1CCCC1 1301296070 FBDWSQJXPIRUHT-MSOLQXFVSA-N 480.660 2.132 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(Cl)cc2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1301593925 XVNMNVFSPCATSQ-INIZCTEOSA-N 482.006 2.168 30 10 JEEE CCC[C@H](Cn1c(Cc2cccnc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C)OC 1306588835 BFDRXKPHSQDOFJ-AZUAARDMSA-N 461.574 2.456 30 10 JEEE CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)cc1 1306872182 KNFFAVQUZQVZHA-JOCHJYFZSA-N 457.552 2.354 30 10 JEEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CC(F)F)CC1 1358930407 UYVZCWCUZBSLRU-KRWDZBQOSA-N 468.549 2.387 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CC1C[C@H](C)O[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1358956105 AIJFOFLYMNCXAB-KLNOSBNDSA-N 494.658 2.149 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCC[C@@H]1OC)[C@H]1CCS(=O)(=O)C1 1358958277 KOJIZRVLJCCVPL-IHPCNDPISA-N 473.555 2.295 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 1358960232 ZYZWIGYUZJFEOG-DLBZAZTESA-N 464.975 2.413 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCc1ccc(OC)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1358963888 POONCSNHLHIRCA-RBUKOAKNSA-N 476.574 2.189 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1c(C)coc1C)[C@@H]1CCS(=O)(=O)C1 1358966057 HENGVYXDFUYNKV-LJQANCHMSA-N 456.572 2.025 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1CCCN1CCCCC1=O)[C@@H]1CCS(=O)(=O)C1 1358966630 SODUOFVLTYWBLF-JOCHJYFZSA-N 483.638 2.093 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H](N1CCOCC1)C(F)(F)F 1358974566 JPEJDVYXEUSWJD-HXUWFJFHSA-N 475.471 2.052 30 10 JEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1358981948 DGCPURFAIIEFNP-RTBURBONSA-N 468.627 2.230 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2CC(F)(F)CNC(=O)OC(C)(C)C)CC1 1359035044 JNYGRAKAGFOEBR-KRWDZBQOSA-N 468.549 2.435 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2CCN2CCOC(C)(C)C2)CC1 1359041649 DMIZMJZBGADAFX-UHFFFAOYSA-N 480.613 2.030 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2CCCc2nccs2)CC1 1359046827 HQBMXMDGXKFNLU-UHFFFAOYSA-N 497.650 2.325 30 10 JEEE C=C(Br)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)CC(=O)N1CCOCC1 1359078566 HNFMOZABRKTNMV-UHFFFAOYSA-N 465.308 2.057 30 10 JEEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C)cc2)CC1 1359127068 HKJLUJHMTBTGLN-IBGZPJMESA-N 462.620 2.116 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CC[C@H](N3CCN(CC)CC3)C2)cc1 1359306571 KQYQWTBUQTVCNC-QFIPXVFZSA-N 481.645 2.246 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)c2ccc(F)cc2)C1 1359321472 GUZRJLROWVXGJW-DUXKGJEZSA-N 493.605 2.335 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1359330418 QVVSAACXXAFQAJ-WBVHZDCISA-N 464.592 2.223 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@H](C)C[C@@H](C)C1 1359330894 GQRSGLIZFRUXBX-IAGOWNOFSA-N 470.599 2.275 30 10 JEEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 1359336049 CQSDZAOUTOQADU-UHFFFAOYSA-N 486.617 2.464 30 10 JEEE C=CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1359345610 KWEYACYBHPWIJT-JOCHJYFZSA-N 476.672 2.490 30 10 JEEE Cc1cc(C(=O)NC2CCN(c3nnc(-c4cccc(C#N)c4)n3CCS(C)(=O)=O)CC2)c(C)o1 1360994829 BNLFULADUJNXPA-UHFFFAOYSA-N 496.593 2.470 30 10 JEEE N#CCC1(CS(=O)(=O)N2CCN(CC(=O)Nc3ccc(Br)cc3)CC2)CC1 1463271372 AWXBTEPGKYTJMU-UHFFFAOYSA-N 455.378 2.029 30 10 JEEE COc1ccc2c(c1)CN(C(=O)C1CCN(S(=O)(=O)c3ccc(C#N)cc3)CC1)CCO2 1468289016 GBDBUHAXCDDAQX-UHFFFAOYSA-N 455.536 2.389 30 10 JEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H](c1ccc(F)cc1F)c1nccn1C 1472277242 IAAADTYBQPNMJA-ORAYPTAESA-N 459.478 2.143 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1C[C@@H](C)CN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1507626729 GVOFUEDTGZPWKT-NZQKXSOJSA-N 485.654 2.103 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1CC(C)(C)OC)[C@H]1CCS(=O)(=O)C1 1507627007 HWTHWIDDIICGQE-KRWDZBQOSA-N 462.572 2.014 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCN1CCCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1507634264 YEJXJMRFZJZYIM-NJYVYQBISA-N 463.648 2.063 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CC[C@@H](F)C1)[C@@H]1CCS(=O)(=O)C1 1507641089 YXZIOFOGIDYPAD-VAMGGRTRSA-N 471.558 2.494 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(C(F)(F)F)n1 1507702297 ICHNGIQHOPIAOM-UHFFFAOYSA-N 459.432 2.474 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2Cc2ccc(OC)nc2OC)CC1 1507718264 NBBXAWQIDQCOTA-UHFFFAOYSA-N 478.553 2.178 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@@H]2CCCCS2(=O)=O)CC1 1507722128 PTXRVUDPGXQLFA-NQIIRXRSSA-N 475.590 2.280 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 1507752341 YUHHLRDUJPCWPG-QUCCMNQESA-N 493.699 2.022 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2cccc(OC)c2)CC1 1507884819 MSGFMJUDWGBNKQ-HXUWFJFHSA-N 461.588 2.019 30 10 JEEE C=CCCCCn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1507927560 YFMFPLODYFEQCX-UHFFFAOYSA-N 468.602 2.291 30 10 JEEE C=CCCOCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCS(=O)CC1 1507962512 SNNUZBZSAFKKFS-UHFFFAOYSA-N 470.599 2.226 30 10 JEEE C=CCn1c(C(=O)NC(CC)CC)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 1508042633 UYFXZOAJPOJPKD-AZUAARDMSA-N 459.639 2.199 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1CCC(C)(F)F)[C@H]1CCS(=O)(=O)C1 1539210052 AKMCOQYTKULLSS-HNNXBMFYSA-N 452.483 2.346 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1CC(C)(C)OCC)[C@@H]1CCS(=O)(=O)C1 1539225864 RBPXHZCLTZEZTN-QGZVFWFLSA-N 451.618 2.076 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(OC(F)F)c(OCC)c2)CC1 1539445975 MIWBSZYUWISUBE-KRWDZBQOSA-N 474.512 2.033 30 10 JEEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CCc2cccc(C(=O)N(C)C)c2)CC1 1539454421 NKVWSECTHBSHQI-UHFFFAOYSA-N 477.638 2.334 30 10 JEEE C=C(Br)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1539586465 KYQQNAJMWAJDIX-UHFFFAOYSA-N 475.800 2.420 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(C)c(OC)c2)CC1 1539848147 LQITYFPIERFEDL-HXUWFJFHSA-N 461.588 2.133 30 10 JEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2cc(F)ccc2F)CC1 1540007170 YXWATEVEFZUVCX-FQEVSTJZSA-N 496.584 2.182 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1540865971 XZBNHCQKOQBUOT-UHFFFAOYSA-N 468.443 2.490 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)NC(C)(C)C 1540880664 NFNLFDNJYORENR-SFHVURJKSA-N 475.615 2.144 30 10 JEEE C#CCOc1ccc(CNC(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccc(C(C)C)cc2)cc1 1556660601 UKCGGLRLPUIPEV-REWPJTCUSA-N 456.564 2.262 30 10 JEEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccccc1CN1CCC[C@@H]1CO 1588025029 RJVNHNPBMNQMQL-ZRBLBEILSA-N 453.587 2.077 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCOC[C@H]1C 1588473684 RKLYTZAFTBKVTP-AOIWGVFYSA-N 463.579 2.340 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CC(=O)NC(C)C 1589503898 FTFGMLZSEWZNSX-NQIIRXRSSA-N 475.615 2.291 30 10 JEEE C=C(C)Cn1c(N2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)nnc1[C@]1(OCC)CCOC1 1593684301 UPZIEHHLXQGCGL-RDPSFJRHSA-N 460.623 2.029 30 10 JEEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1593696625 UNIMPYMAQCIZDH-GOSISDBHSA-N 453.547 2.109 30 10 JEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(Cc2cccs2)CC1 1594626278 LSWBBHAAKDFOIJ-FQEVSTJZSA-N 494.687 2.351 30 10 JEEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2cc(F)cc(F)c2C1 1594812168 CPQBLKVDRHRMKA-FQEVSTJZSA-N 497.568 2.045 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1595477456 VKEFEQRDBZXKNF-BBTUJRGHSA-N 472.565 2.016 30 10 JEEE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3cccc(C#N)c3)n2CCCO[C@H]2CCOC2)C1 1595976523 FSGRYGHNIQTXIJ-IRLDBZIGSA-N 452.559 2.317 30 10 JEEE N#CCn1cc(NC(=O)[C@H](Cc2cccc(Br)c2)[C@H]2CCS(=O)(=O)C2)cn1 1597840758 CIWOTJUZZLEMNQ-WMLDXEAASA-N 451.346 2.401 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1CCC1(O)CCC1 1611671542 AFOJPQQNHGJOQZ-INIZCTEOSA-N 458.588 2.234 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1ccc(N2CCCC2)nc1 1611696248 DUFKFLBBIFSGLS-VGOFRKELSA-N 472.619 2.062 30 10 JEEE Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)Cn2cc(C#N)c(=O)c3ccccc32)CC1 1613530125 DZNAHAUWPKSPQJ-UHFFFAOYSA-N 457.534 2.273 30 10 JEEE CCS(=O)(=O)NCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@@](F)(C#N)C1 1617383245 GADYNAORYORUMP-DYESRHJHSA-N 464.567 2.416 30 10 JEEE COC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(N(C)C)CCOCC2)C1 1618851633 GUZKOQOKLUEMLN-HXUWFJFHSA-N 452.559 2.317 30 10 JEEE C#CCC1(NS(=O)(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)cc2)CCOCC1 1657027472 ZKOIBOMYCSOWCG-HDICACEKSA-N 454.614 2.204 30 10 JEEE N#Cc1ccc(Br)cc1S(=O)(=O)NC[C@@H]1CCCN(C(=O)C(F)(F)F)C1 1664732590 HMQBLUQPBHPVAB-JTQLQIEISA-N 454.268 2.400 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1c(Cl)c(C(F)(F)F)nn1C 1689851424 QSRRMPTXCFIUIB-WDEREUQCSA-N 464.901 2.092 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H]1OCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1689982206 JIRYPMXLTKJRJS-WIYYLYMNSA-N 488.610 2.404 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1cc(F)cc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1689986539 RXQJZSXOGWEGLQ-LJQANCHMSA-N 455.515 2.163 30 10 JEEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1c(CC)nn(C)c1OC 1690076763 AFMCDHSFZFMORN-LJQANCHMSA-N 487.605 2.399 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H](C(C)C)N2CCCC2)CC1 1690113387 ICFXMFKIVMXZOL-WIOPSUGQSA-N 458.651 2.194 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](CC)c3ccccc3)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1690113555 MZMYQLZSCXZYMY-UNMCSNQZSA-N 455.628 2.400 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2Cc2cccc(Br)n2)CC1 1690142795 UPKVBVHORQWTKQ-UHFFFAOYSA-N 482.386 2.455 30 10 JEEE C#CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1690166116 VNBAFNZZIBEKKN-INIZCTEOSA-N 457.556 2.360 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCc1nc2ccccc2[nH]1 1690190184 NJXYICMZHOGDRM-OPAMFIHVSA-N 455.588 2.390 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(NC(C)=O)CC1 1690239389 VTBOIMPVBKJYQV-KNQAVFIVSA-N 487.626 2.435 30 10 JEEE C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1690276225 RHEFWAWECVMHLX-MRXNPFEDSA-N 476.379 2.389 30 10 JEEE C=C(C)COCCn1c(N2C[C@H](C)O[C@@]3(CCOC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1690320552 WWTFEBNZWPVWBU-VJBMBRPKSA-N 450.580 2.296 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCOCC1(C)C 1690565370 IANQFPPEOUOHSE-NRFANRHFSA-N 473.643 2.484 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCCN(c2nc(CC)ns2)CC1 1690665441 DGSCVOVRCBYPGX-UHFFFAOYSA-N 482.614 2.387 30 10 JEEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(C)Cc1cc(F)c(F)c(F)c1 1690669276 ZYJLNFYLAHNQHZ-UHFFFAOYSA-N 462.432 2.362 30 10 JEEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(c2ncccc2F)CC1 1690671977 FHEKRKJFLUIWAJ-UHFFFAOYSA-N 471.487 2.310 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2c(Cl)c(C(F)(F)F)nn2C)C1 1690697492 WSYWCUNWIVRLHW-RYUDHWBXSA-N 473.887 2.465 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1690725013 BOQRDQQJTZAXOF-AOMKIAJQSA-N 482.553 2.132 30 10 JEEE Cc1ccc(C)c(OCc2nnc(N3CC[C@](F)(C#N)C3)n2CCS(=O)(=O)NC(C)C)c1 1693031590 DRCDWZJQVCALHY-NRFANRHFSA-N 464.567 2.244 30 10 JEEE CC[C@H](C)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCS(=O)(=O)NC(C)C 1694130398 FZQSRZYVPQNSPD-SFHVURJKSA-N 459.620 2.318 30 10 JEEE CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)CCCS2)CC1 1695929473 CMBDLVKJKIUREF-QHCPKHFHSA-N 453.616 2.361 30 10 JEEE N#C[C@H]1CN(c2nnc(CN3CCCC3=O)n2Cc2cccc(OCC(F)(F)F)c2)CCO1 1698492105 AACPDYKTXUZVMA-KRWDZBQOSA-N 464.448 2.119 30 10 JEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC2CCCCC2)CC1 1705516866 KGSNXJZTYAVGBF-QFIPXVFZSA-N 492.690 2.117 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2nc(C)cs2)CC1 1705645363 RIVQUGWBTHCFRA-HSZRJFAPSA-N 472.615 2.098 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2Cc2ccc(C#N)o2)CC1 1705651498 YRAZCOIOTVWLPV-UHFFFAOYSA-N 462.485 2.475 30 10 JEEE C=CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1705835430 KKJGUFSMXDENLZ-JQVVWYNYSA-N 467.636 2.145 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCC(=O)N2)n1CCN1CCOC[C@@H]1C 1705856967 MMJUPMBEUFCHNZ-GHTZIAJQSA-N 454.575 2.151 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCC(c2nc(C)no2)CC1 1705905090 JKOKLVZJRVNXRF-UHFFFAOYSA-N 451.531 2.255 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC[C@@H](S(C)(=O)=O)C2)nnc1C1(c2ccccc2)CCC1 1705908939 JLHMQQMOBIMIDS-LJQANCHMSA-N 457.600 2.064 30 10 JEEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1Cc2ccccc2C1 1705947020 XZNLDXMULNLRCM-FQEVSTJZSA-N 477.656 2.134 30 10 JEEE CC[C@H](C)[C@](C)(O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1708347591 GRDRHIOXICRUDH-LSRZYVKLSA-N 469.565 2.364 30 10 JEEE CCC1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCCN(S(C)(=O)=O)CC2)CCOCC1 1708879095 GFXWFUGCHUIKPH-UHFFFAOYSA-N 472.615 2.495 30 10 JEEE COc1ccc(Br)c(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@]2(O)CCSC2)c1 1711714908 CPJRGRRSLJJDOX-AUUYWEPGSA-N 480.388 2.313 30 10 JEEE COc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCNC(=O)OC(C)(C)C)cc1 1711884817 HIIHFOHTUMWRTE-GOSISDBHSA-N 458.519 2.119 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCCO3)n2CC[C@H]2COCCO2)c1 1722308965 IDDQJVDQZCPFRE-LEWJYISDSA-N 453.543 2.381 30 10 JEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1CCCc1nc(C)no1)[C@@H]1CCS(=O)(=O)C1 1722365880 OAOPRGWZGDJOHE-LJQANCHMSA-N 489.001 2.473 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CCc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1722367558 WMPGLCWMFODMBX-NRFANRHFSA-N 453.543 2.272 30 10 JEEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1Cc1nnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1722372282 SVFTYUMTKFDLRD-GOSISDBHSA-N 486.623 2.309 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccc(OC)cc1)N1CCCC1 1722384705 XOECGIGUODOUKX-GMAHTHKFSA-N 481.622 2.099 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2cc(C(C)(C)C)no2)CC1 1722432016 VFCWXTLFCPEPIH-DEOSSOPVSA-N 456.591 2.408 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2Cc2snnc2C)CC1 1722450218 ZUYLQMAUKGQAKR-UHFFFAOYSA-N 465.583 2.340 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCCN2CCOCC2)CC1 1722450565 MNIVPRWYJHNPSY-UHFFFAOYSA-N 494.640 2.162 30 10 JEEE C#CCSCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1722459751 QEJYOAVXIOVKCV-SFHVURJKSA-N 497.687 2.382 30 10 JEEE C#CCSCCn1c(N2CCO[C@]3(CCO[C@@H]3C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1722464428 GCQITSMMFXCQRG-STZQEDGTSA-N 450.605 2.069 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1722696275 HPENXXXDHPYMGU-UHFFFAOYSA-N 497.003 2.281 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C[S@@](C)=O)cc2)C1 1722708969 HFYOQOHSODKYMT-QTYPKTMWSA-N 457.600 2.222 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(N3CCCCC3)nc2)C1 1722711140 SBRWEMKYIQVICP-UYAOXDASSA-N 489.646 2.103 30 10 JEEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1722732289 IZQCIRLMSMSIKS-VQIMIIECSA-N 476.628 2.257 30 10 JEEE C=CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1722732855 RBKWRLOTJBEMCN-HNNXBMFYSA-N 463.007 2.448 30 10 JEEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1CCCN1CCCO[C@H](C)C1 1729618470 BEZOZUFLOVTDJL-RBUKOAKNSA-N 453.591 2.136 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(SC)CCC1)[C@@H]1CCS(=O)(=O)C1 1740617651 UYHYGHICDCVZBH-GCJKJVERSA-N 482.672 2.231 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1Cc1nccc(C(F)F)n1)[C@H]1CCS(=O)(=O)C1 1740621164 UHNXRWKGNZQOHI-AWEZNQCLSA-N 493.927 2.396 30 10 JEEE C#CCN1CCN(c2nnc(-c3nn(C(C)C)c(=O)c4ccccc34)n2C[C@@H](CC)OC)CC1 1740695541 VZHBZLMDBLBFIK-LJQANCHMSA-N 463.586 2.416 30 10 JEEE C#CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1740716921 DXCLQUQDVXZYAA-GHTZIAJQSA-N 455.584 2.462 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc3c(c2)OCO3)n1CCCN(C)S(=O)(=O)CC 1740729536 JBOYHQNBOVULGH-JOCHJYFZSA-N 459.572 2.338 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1CCCN1CCN(CC)CC1 1740733751 LDWQEIXMPVYVMP-XMMPIXPASA-N 469.659 2.289 30 10 JEEE C=C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCN2CCOC(C)(C)C2)CC1 1740819837 GVSMWCNUGCMWHY-UHFFFAOYSA-N 488.658 2.463 30 10 JEEE C=CCC(C)(C)Cn1c(N2CCCN(S(C)(=O)=O)CC2)nnc1[C@]1(OCC)CCOC1 1740852557 PJCVJFKMOIKTSM-NRFANRHFSA-N 455.625 2.004 30 10 JEEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1740943791 KWZNEIBPDDYLDE-UHFFFAOYSA-N 471.505 2.430 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCCN(c3ccccc3)CC2)nnc1[C@@]1(OCC)CCOC1 1740994078 MBEHNBLHFLEXJO-XMMPIXPASA-N 489.642 2.248 30 10 JEEE CC(C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCC[C@@H]2C)CC1 1741703848 GBKCMLSXEWJYPE-DFBJGRDBSA-N 465.602 2.014 30 10 JEEE CCc1nc(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@@H](NC(C)=O)C2)no1 1744469182 BXSZTVFTICCFTQ-GOSISDBHSA-N 464.530 2.022 30 10 JEEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](OC)C(C)(C)C)C1 1746551327 DFWNTONCNFYDRO-UXHICEINSA-N 490.630 2.308 30 10 JEEE COc1ccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@H]2CCN(S(C)(=O)=O)C2)cc1OC 1748636666 BXBOLNGVLZDDPF-GAJHUEQPSA-N 488.614 2.374 30 10 JEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCO[C@H](c2ccccc2)C1 1748717672 FVEZMXRWOXUZEZ-FCHUYYIVSA-N 487.626 2.383 30 10 JEEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CC(=O)NC(C)C)CC1 1748764306 KMFRXNMFEKDSPG-FQEVSTJZSA-N 487.649 2.410 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H](C(CC)CC)N(C)C)[C@H]1CCS(=O)(=O)C1 1748811884 NFUMEPKFADLTIV-PZJWPPBQSA-N 458.632 2.333 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@]2(C)CCCO2)CC1 1749006433 NKKYPEKOXPQLEW-VWLOTQADSA-N 467.570 2.497 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1CCNC(=O)c1cccc(OC)c1 1749051321 FBETUGUJUVXWFW-RUZDIDTESA-N 473.537 2.356 30 10 JEEE C=C(C)COCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1749219865 VJMKYJZLZWUFMN-IBGZPJMESA-N 458.588 2.175 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1749739510 DSNNEAWXBWJCHZ-MSOLQXFVSA-N 464.563 2.460 30 10 JEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1760147806 YKWLYFAQCIHKSO-UHFFFAOYSA-N 472.615 2.392 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(C)C)n1CC1(N2CCOCC2)CC1 1760240532 UNSSVPUBFXXKSD-UHFFFAOYSA-N 454.550 2.060 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCc2nccnc2C)CC1 1760263833 QNTLVHRIDXZGOE-NRFANRHFSA-N 480.617 2.446 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@](C)(O)c2cccs2)CC1 1760264458 OYQNIEALCSHLCU-DEOSSOPVSA-N 462.579 2.453 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ncc(CC)s2)CC1 1760273231 MDEWWMFDQXCGIL-PXNSSMCTSA-N 472.615 2.035 30 10 JEEE C#CCSCCn1c(-c2ccccc2C)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1760278487 WTQDUUQHARRKAY-QGZVFWFLSA-N 450.572 2.152 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1Cc2ccc(Br)cc2C1 1760346242 PEQBTGLQICDRCZ-QGZVFWFLSA-N 482.404 2.470 30 10 JEEE C=C(C)COCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](COC)C1 1760358160 RTHUGBWDCVQCST-OALUTQOASA-N 481.594 2.031 30 10 JEEE C=CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCc2nn(C)c(=O)cc2C1 1760510783 OIVPKAKYPCEHNT-INIZCTEOSA-N 455.563 2.235 30 10 JEEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1760527523 ZOCXUFTXHIKLSY-QGZVFWFLSA-N 466.508 2.275 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1760527543 ADKREVKRUHZHLQ-PBHICJAKSA-N 469.464 2.324 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCCO[C@H](c3ccccc3)C2)nnc1[C@]1(OCC)CCOC1 1760558007 CURKZTYUCGKTOS-URXFXBBRSA-N 490.626 2.499 30 10 JEEE COC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(C)n(C)c2=O)CC1 1769441654 HTCCPFRVNRQRHV-UHFFFAOYSA-N 476.537 2.174 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)COc2cccnc2NC(=O)NCCCN(C)C)nc1C 1858792277 QMYAEISLKJCCFU-UHFFFAOYSA-N 476.559 2.280 30 10 JEEE O=C(/C=C/c1ccc2c(c1)OCO2)C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 1860730428 NFZYGNGUUXSUTG-KRXBUXKQSA-N 452.448 2.227 30 10 JEEE NS(=O)(=O)c1ccc(CN2C(=O)C(O)=C(C(=O)c3cccc(O)c3)[C@H]2c2ccc(O)c(O)c2)cc1 1862591497 HWUFEKJDGYZUJF-OAQYLSRUSA-N 496.497 2.229 30 10 JEEE CCOC(=O)N1CCN(C(=O)[C@H](CC)NC(=O)C2CCN([C@@H](C#N)c3cccs3)CC2)CC1 1868795649 MODGJMCESRFDPQ-OALUTQOASA-N 475.615 2.220 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)OCc2ccccc2)cn1CCN1CCOCC1 1870616872 ASQROWYXXSULDC-UHFFFAOYSA-N 481.593 2.477 30 10 JEEE C=CCn1cc(OCC(=O)Nc2cccc(C)c2C)c(=O)cc1CN1CCN(C(C)=O)CC1 1870752630 JVXOVDFHLAXIHV-UHFFFAOYSA-N 452.555 2.333 30 10 JEEE C=CCn1cc(OCC(=O)NC[C@@H]2CCCO2)c(=O)cc1CNc1ccc(OC)c(OC)c1 1870983460 UVVZWXSGXPWDGR-IBGZPJMESA-N 457.527 2.338 30 10 JEEE Cc1nc([C@@H](C#N)C(=O)CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)sc1C(=O)N(C)C 1872797240 DTWPPRVMVOTCDE-KRWDZBQOSA-N 456.528 2.060 30 10 JEEE CC(=O)NCc1nnc(SCC(=O)Nc2ccc(C)cc2)n1/N=C/c1ccc(O)cc1O 1874431773 XJEPUVKUPNOSCO-AUEPDCJTSA-N 454.512 2.247 30 10 JEEE COc1cc(/C=N/n2c(CC(C)C)nnc2SCCO)ccc1OCCN1CCOCC1 1874492491 PSMGZPDLHCELIC-XQNSMLJCSA-N 463.604 2.163 30 10 JEEE COc1ccc(Br)c(C(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)c1 1889437226 LAWDVMHUQCRZEA-UHFFFAOYSA-N 464.404 2.330 30 10 JEEE CC(C)N1C(=O)CS[C@@H](C(=O)N2CCN(C(=O)C3CCC3)CC2)[C@H]1c1ccc(C#N)cc1 1890599905 LCZALXVNYCQHBK-FGZHOGPDSA-N 454.596 2.423 30 10 JEEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)COc3cccc([N+](=O)[O-])c3)CC2)CC1 1891134017 PCNLIBMPQTUXDU-UHFFFAOYSA-N 458.559 2.011 30 10 JEEE CCN1CCN(CC#CCOC2CCN(C(=O)COc3c(F)c(F)c(F)c(F)c3F)CC2)CC1 1891495589 HVDWDWSXKQYSHS-UHFFFAOYSA-N 489.485 2.409 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2Cl)CO1 2255629940 CQZBTVTZSAXNLF-ZDUSSCGKSA-N 453.732 2.315 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CC[S@](=O)(=NC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)C1 2255642375 FBPSYPBAVDZRGS-MDQXEJNYSA-N 471.410 2.348 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@H]1NS(=O)(=O)Cc1ccccc1B1OC(C)(C)C(C)(C)O1 2255793936 FBUUZBVIECIZOA-DLBZAZTESA-N 452.382 2.071 30 10 JEEE CC(C)(C)OC(=O)N1CCCO[C@@H](CNC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)C1 2267165326 DAALLVDJCPGAGR-AWEZNQCLSA-N 467.397 2.198 30 10 JEEE CCc1nn(C)c(C(=O)N[C@H](C)[C@H](C)NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267191529 DQYZKLXJKUGWPD-KGLIPLIRSA-N 450.389 2.313 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)c2csc(B3OC(C)(C)C(C)(C)O3)c2)C[C@@H]1CO 2267277485 PXAMNDDJXLZSFQ-CVEARBPZSA-N 466.409 2.395 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CC(N)=O)C(=O)Nc1cc(Cl)ccc1B1OC(C)(C)C(C)(C)O1 2268633386 RWLMHPIGHKWEPI-OAHLLOKOSA-N 467.759 2.346 30 10 JEEE CN(Cc1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(=O)C1(NC(=O)OC(C)(C)C)CC(O)C1 2268719076 YAOROIVLYXLVHH-UHFFFAOYSA-N 466.409 2.424 30 10 JEEE Cn1cc(C(=O)N[C@@H]2C[C@H]3C[C@H]2C[C@H]3NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2281962382 YHVKODSHECTFAI-XOSAIJSUSA-N 460.384 2.141 30 10 JEEE CN1CCC(CNC(=O)OC(C)(C)C)(NC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)CC1 2282024132 WQHKBWPTKGIYMV-UHFFFAOYSA-N 480.440 2.161 30 10 JEEE CC(C)(C)OC(=O)N1CCCC[C@@H]2[C@@H](NC(=O)c3ncncc3B3OC(C)(C)C(C)(C)O3)[C@@H]21 2282188536 XEJGEXYWSXHMNH-QGPMSJSTSA-N 458.368 2.294 30 10 JEEE C[C@H]1[C@H](NS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CCCN1C(=O)OC(C)(C)C 2282346183 MGBURUKWNYAWSM-MAUKXSAKSA-N 481.424 2.447 30 10 JEEE C[C@@H]1C[C@H](NC(=O)C(F)(F)F)CN(S(=O)(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282350329 LJQICPPCEIVDAT-HIFRSBDPSA-N 476.326 2.063 30 10 JEEE CC1(C)OB(c2cc(C(=O)N3CC[C@@](CNC(=O)C(F)(F)F)(C4CC4)C3)co2)OC1(C)C 2282533736 OMMNZVMUIPGGSL-FQEVSTJZSA-N 456.270 2.500 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N=[S@](C)(=O)CCN(C)C(=O)OC(C)(C)C)n1 2282581259 FWAXZWBATMWRJW-MGBGTMOVSA-N 484.428 2.307 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](NS(=O)(=O)c2ccc(F)cc2B2OC(C)(C)C(C)(C)O2)CCO1 2282831867 FRXNBGQMSUPJKR-HNNXBMFYSA-N 486.371 2.344 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@@H]2NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(O)cc1O 2282976144 QVELFTOJQVAVLU-HNJNHCNJSA-N 460.336 2.135 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@]2(NC(=O)c3nccnc3B3OC(C)(C)C(C)(C)O3)C[C@@H]2C1 2283063039 QIKJTPMNPLKBPU-CMJOXMDJSA-N 458.368 2.295 30 10 JEEE CC(C)(C)OC(=O)N1CC(CO)(C(=O)N2Cc3cccc(B4OC(C)(C)C(C)(C)O4)c3C2)C1 2283964235 RSKIVUZXKUHKJL-UHFFFAOYSA-N 458.364 2.057 30 10 JEEE Cc1nc(NC(=O)[C@@H]2COC[C@H](C)N2C(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2283970003 KUADDJBKTZHEEY-BBRMVZONSA-N 462.356 2.047 30 10 JEEE COC(=O)[C@H](CS(=O)(=O)Nc1cc(Cl)ccc1C#N)NC(=O)OCc1ccccc1 2286026112 IMFYXTXNWYRHAY-KRWDZBQOSA-N 451.888 2.421 30 10 JEEE CC(C)(C)OC(=O)N1CC(O)(C(F)(F)CNC(=O)c2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2288545570 ZGCAPLZWPAWVIC-UHFFFAOYSA-N 488.362 2.394 30 10 JEEE COCCc1nnc(SCC(=O)NCc2ccco2)n1N=Cc1cc(OC)ccc1OC 2331273475 GYUQNYBPOWJLPC-UHFFFAOYSA-N 459.528 2.368 30 10 JEEE COCCn1cc(C#C[C@H](O)[C@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)cn1 2340457702 MMYOIKYXYQWQBE-DHLKQENFSA-N 454.571 2.411 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2C[C@H]1C[C@H](NC(=O)OC(C)(C)C)C2 2359267110 PNXQHUZTJYEMHU-XHSDSOJGSA-N 460.384 2.237 30 10 JEEE Cn1cc(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]23)n1 2359267121 QBRTZUXHSYDSGY-HYVNUMGLSA-N 460.384 2.237 30 10 JEEE CC(C)(C)OC(=O)NC[C@]1(C)CN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CC1(F)F 2379684312 WMBWRQGHYNJOEL-HXUWFJFHSA-N 470.326 2.331 30 10 JEEE Cc1ccc(/N=C2\SCCCN2C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1Cl 9511886 IGKPVBFQJOBFOB-NMWGTECJSA-N 460.947 2.049 30 10 JEEE CCN(CC)c1ccc([C@H]2c3c(nc(N4CCC5(CC4)OCCO5)[nH]c3=O)NC(=O)[C@H]2C#N)cc1 72444343 VUNZKXDDOLAMKD-RBUKOAKNSA-N 478.553 2.183 30 10 JEEE CN(C)CCCN1C(=O)C(=O)/C(=C(\O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@H]1c1ccccc1 102717482 DRUSCAPQMCEMAC-SADKCHQCSA-N 471.579 2.310 30 10 JEEE COCCN1C(=O)C(=O)/C(=C(\O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@H]1c1ccccc1F 111277452 AJGCVZKNRYCLQD-LAFOYAEKSA-N 462.499 2.144 30 10 JEEE COc1ccc(C(=O)N=C2S[C@H]3CS(=O)(=O)C[C@H]3N2c2ccc3c(c2)OCCO3)cc1 254392648 WAEXPAPVNSYIEA-APWZRJJASA-N 460.533 2.382 30 10 JEEE CCOC(=O)Cn1cnc(N=C2S/C(=C/C(=O)OC)C(=O)N2c2ccccc2)c1C(=O)OCC 254835504 MKRZEUVJQRKXSO-MAEZLDPNSA-N 486.506 2.447 30 10 JEEE N#Cc1ccc(OC[C@@H](O)Cn2cnc(I)c2I)cc1 312439408 AWCNZTFYNGXPDL-JTQLQIEISA-N 495.058 2.404 30 10 JEEE N#Cc1ccc(Oc2ccc(NC(=O)C(=O)NCCS(=O)(=O)c3ccccc3)cn2)cc1 604214359 CNGVYWFUXDPTJP-UHFFFAOYSA-N 450.476 2.274 30 10 JEEE C#CCN(C(=O)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1)[C@@H]1CCS(=O)(=O)C1 729331803 POFMELMDJBNYRB-OAHLLOKOSA-N 493.434 2.043 30 10 JEEE C#CCN(C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)C(C)(C)C 1133753567 ZCDIXAXKMCNZJY-UHFFFAOYSA-N 453.992 2.213 30 10 JEEE CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CCN([C@H](C#N)C(C)C)CC1 1143456841 BVGHRWGUQFGZRI-WOJBJXKFSA-N 452.646 2.087 30 10 JEEE C#CCN(C)c1nnc(-c2ccc(F)cc2Br)n1CCC(=O)N1CCOCC1 1286366850 CHFXTCPGNINPFU-UHFFFAOYSA-N 450.312 2.165 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@]1(O)CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1286381300 FYGABPJDUYFELN-GTCCEBARSA-N 473.555 2.031 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1Cc1cnc(C)s1)[C@H]1CCS(=O)(=O)C1 1286387777 HZJAERWMGFUHIQ-INIZCTEOSA-N 487.607 2.402 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccc(OC)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 1286390529 APPNVIDNKMEJTK-IAGOWNOFSA-N 464.975 2.119 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCN1CCN(C)C(C)(C)C1 1286406692 DWDCJXASAMSFCD-UHFFFAOYSA-N 456.598 2.230 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC(C)(C)N1CCOCC1 1286418860 JJWVDRIBXITMGU-UHFFFAOYSA-N 483.016 2.435 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CC2(C)C)CC1 1286493326 ULXHUSMWTKPUGP-KRWDZBQOSA-N 454.600 2.282 30 10 JEEE C#CCSCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCO[C@H](C(=O)NC)C1 1286496455 FKWFEZLQEGRSAI-FQEVSTJZSA-N 450.568 2.119 30 10 JEEE C#CCSCCn1c(-c2ccccc2Br)nnc1N(C)CC(=O)N1CCOCC1 1286500238 UGNCABJMUIVTIN-UHFFFAOYSA-N 478.416 2.369 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1286759004 YCSRUNOOJMVNBT-SJORKVTESA-N 477.553 2.012 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCO[C@H](Cn2cccn2)C1 1286779549 JHSCEOUCFUOFKD-RTWAWAEBSA-N 479.585 2.439 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@H](C)O[C@H](c2ccccc2)C1 1286780097 BMIXLWKFMBYEMC-PXNSSMCTSA-N 454.575 2.465 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(Br)cc2)nnc1N1CCCOCC1 1286822902 IXTAQRBRWIRZGI-UHFFFAOYSA-N 485.404 2.447 30 10 JEEE C=CCSCCn1c(N2CCN(c3nccnc3C)CC2)nnc1[C@]1(OCC)CCOC1 1286836366 LRNRAINCVGSYCC-QFIPXVFZSA-N 459.620 2.274 30 10 JEEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCc2nnc(C)s2)CC1 1286884226 RCHNTCIVWCGZJS-UHFFFAOYSA-N 466.571 2.190 30 10 JEEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN([C@@H](C)c2nc(C3CC3)no2)CC1 1300336710 MJHDBCSSORYVQM-KRWDZBQOSA-N 454.579 2.363 30 10 JEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1CCN(CCC)C1 1300511582 AHXYNRGKUTXMRG-FQEVSTJZSA-N 467.643 2.351 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCCS(=O)(=O)C1 1300813968 XDGISKCAUUADOJ-IIBYNOLFSA-N 461.613 2.087 30 10 JEEE C=C(C)COCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@H](C(=O)OC)C1 1300989980 SMRYZCGNINNMDE-FQEVSTJZSA-N 469.590 2.434 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C(C)C)N2CCCC2)CC1 1301124199 HGHKTMZZFNLKFK-RTWAWAEBSA-N 480.679 2.134 30 10 JEEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@H](C)[C@@H](OC)C2)cc1 1301518528 JGMAALSXRRDPEW-ZWOKBUDYSA-N 463.604 2.363 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCN(c2ncccc2F)CC1 1301578388 ZELRIJJYZNMDJD-UHFFFAOYSA-N 486.573 2.415 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1301970587 HNDXRNSKKJVVHE-GHTZIAJQSA-N 493.637 2.480 30 10 JEEE CC(C)C(=O)NCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CC[C@@](F)(C#N)C1 1302466148 DJUQITCAMURBQA-XMMPIXPASA-N 480.548 2.450 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OC)c(OC(F)F)c1 1358871754 JZHLFWHCWFMADU-CHWSQXEVSA-N 457.503 2.005 30 10 JEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@H](C)c2nc(C(C)C)no2)CC1 1358913151 GZLLSZVMWYNSKR-MOPGFXCFSA-N 489.646 2.373 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CCCc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1358956257 CMYRSVMVSGNFSB-YKSBVNFPSA-N 490.601 2.329 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H](C)Oc1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 1358960636 IRZGQBDHXFKURU-SJLPKXTDSA-N 486.985 2.483 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCN(C)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1358961885 GSRLWZMVCYMQPC-FGZHOGPDSA-N 471.627 2.278 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(C)cc1OCC(F)(F)F 1358969567 ROMJWOMSLHAMNX-MRXNPFEDSA-N 483.516 2.259 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(Br)s2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1358972515 HZGWKCDPWAJCJT-CQSZACIVSA-N 482.429 2.123 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC(C)(C)C(=O)NC 1358984412 TWIDWCYTDUIGQG-UHFFFAOYSA-N 454.962 2.097 30 10 JEEE C#CCN(CC)c1nnc(CCCOc2ccc(Cl)cc2C)n1C[C@@]1(O)CCS(=O)(=O)C1 1359012723 WSOMJUMOJPALLX-QFIPXVFZSA-N 481.018 2.261 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](C)N1CCN(CC)CC1 1359026838 MFLNPEVIVSKCNS-YPAWHYETSA-N 460.667 2.309 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2Cc2ccc(N(C)C)nc2)CC1 1359043494 WDSNBISNOMVCMQ-UHFFFAOYSA-N 473.581 2.429 30 10 JEEE C#CCSCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC(NS(C)(=O)=O)CC1 1359048955 FEGUKIKOXALRSO-MRXNPFEDSA-N 481.619 2.442 30 10 JEEE C=C(Br)Cn1c(COc2ccc(OC)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1359087492 HMDUMEOVVJPWCA-CQSZACIVSA-N 471.377 2.398 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1359092889 HILKIMSFZUOIHY-NRSPTQNISA-N 475.615 2.453 30 10 JEEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 1359203734 UXXXDFXKOAJEEH-MRXNPFEDSA-N 463.564 2.483 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](c2noc(C(C)C)n2)C1 1359306717 ONOBDTFTQBPOAD-AOIWGVFYSA-N 473.578 2.195 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1ccc(F)c(F)c1 1359326913 MTEQYXKISIFHIA-UHFFFAOYSA-N 476.509 2.441 30 10 JEEE C=CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CCN2CCOC[C@@H]2C1 1359338083 LBAPMWRSTGCTNF-INIZCTEOSA-N 467.437 2.486 30 10 JEEE C#CCn1ccc(CN(CC)C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc(C(C)=O)cc2)n1 1436118746 BVZAOIKZXORZSB-QFIPXVFZSA-N 456.568 2.311 30 10 JEEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1Cc1ccc(C(C)(C)O)cc1 1503108113 CJXIFRQTEIRMHO-SFHVURJKSA-N 476.585 2.467 30 10 JEEE CO[C@H]1COCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(CC#N)CC1 1504527165 BKLCZCWHDWLZAQ-ROUUACIJSA-N 458.588 2.451 30 10 JEEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1cccnc1N1CCOCC1 1507543136 OCPCHWIMORMUAI-IBGZPJMESA-N 457.538 2.467 30 10 JEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1507575372 FZAVQCDCRFIVRR-ICSRJNTNSA-N 487.626 2.130 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC(=O)N1CCOCC1 1507663085 RZKIGRYSPMFXQK-GOSISDBHSA-N 451.596 2.453 30 10 JEEE C#CCN(CC)c1nnc(-c2ccc(Br)s2)n1CC1(O)CCS(=O)(=O)CC1 1507681822 CRXBGQPODVBDRS-UHFFFAOYSA-N 473.418 2.168 30 10 JEEE C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1507713495 LSDUUWHEKMQNHF-GOSISDBHSA-N 481.626 2.388 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnccn3)n2C[C@H]2OCCC2(C)C)n1 1507716892 OGAGZJMCKWIVGQ-HXUWFJFHSA-N 450.547 2.033 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2nc(C)cs2)CC1 1507734294 KSBLPPWOVYSOHR-UHFFFAOYSA-N 498.634 2.128 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCc2ccc(OC)cc2)CC1 1507739089 MLSVITWIIMGGMV-NRFANRHFSA-N 451.571 2.389 30 10 JEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1 1507740738 FDIZVIRVUCHUTO-UHFFFAOYSA-N 487.029 2.496 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CCCN(C(C)C)C2)CC1 1507740873 QGLODKQQNNRZLS-QFIPXVFZSA-N 480.661 2.226 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N(C)CC(C)(C)CN1CCOCC1 1507801903 YWGCBZMWCLPSFP-PZJWPPBQSA-N 457.623 2.454 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCC(=O)N(C)C 1508008164 LFCOJBZPDGVNMU-MRXNPFEDSA-N 451.618 2.303 30 10 JEEE C=CCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1508051985 NYVWOSNJLAPDOJ-LJQANCHMSA-N 454.531 2.305 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1508092940 SQYGWLOARVBSHX-FXAWDEMLSA-N 482.585 2.224 30 10 JEEE C=CCNC(=O)Cn1c(N2CC[C@H]3OCCC[C@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1508098023 NAZKNBFLVYNZQJ-INDMIFKZSA-N 474.606 2.356 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H]2CCCCO2)nnc1N1CCO[C@H](CNC(C)=O)C1 1508102787 AOYDUYNMBYJBSJ-IRLDBZIGSA-N 455.559 2.474 30 10 JEEE CCN1C[C@@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)CC)C[C@H]1C 1515818693 FALRLVKCTBJVTC-QZTJIDSGSA-N 460.604 2.082 30 10 JEEE C#CCNC(=O)c1ccccc1NC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)OC 1529042035 KYEUBXYMRQRWRG-FQEVSTJZSA-N 451.479 2.236 30 10 JEEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(NC(=O)CCC)CC1 1539116357 NBDNVNADKWENPI-UHFFFAOYSA-N 461.570 2.491 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1Cc1ccc(C(N)=O)nc1 1539312538 SSGCZQCJWWIHAC-UHFFFAOYSA-N 450.506 2.136 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H](C(C)C)N1CCCC1 1539408942 ISYZXMFUVIPWBO-JOCHJYFZSA-N 477.613 2.398 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCN2CCCC(C)(C)C2)CC1 1539459902 RNYCISKBDQAAMY-UHFFFAOYSA-N 469.659 2.147 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)c1nc(C)cs1 1539556485 DKKIBIMDUFUKGV-LUQKVYGDSA-N 478.644 2.172 30 10 JEEE C#CCN(Cc1ccccc1)C(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1OCC 1539617987 VXMFIJMHDWTLSE-UHFFFAOYSA-N 455.580 2.297 30 10 JEEE C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 1539683499 SVKSJBSUNCJKGQ-GOSISDBHSA-N 473.603 2.332 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1540902819 RGNLPRHYZGJBAU-ZWKOTPCHSA-N 483.635 2.219 30 10 JEEE CC(=O)N(C)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)C(C)(C)C)CC1 1540928497 AYHJNKKHSIEGTR-UHFFFAOYSA-N 472.615 2.477 30 10 JEEE Cc1ccc(Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CCO[C@@H](C#N)C2)c(=O)n1C 1542383013 GGZFAWHNAVVSBC-SFHVURJKSA-N 456.453 2.331 30 10 JEEE CCCCn1cc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCS(=O)(=O)CC2)c(C)n1 1547036292 DAVZWRVAMRZLIM-UHFFFAOYSA-N 453.572 2.405 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@@H]1CCC=CO1)[C@@H]1CCS(=O)(=O)C1 1588069129 HRYYABPROUDZGH-QUCCMNQESA-N 460.531 2.316 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](CC(C)C)N(C)C)CC1 1588961908 PZWGCFVOMCLELV-JOCHJYFZSA-N 468.650 2.082 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)OCc2ccccc2)CC1 1593741299 MHMYSPQOLWZCPS-FQEVSTJZSA-N 468.558 2.281 30 10 JEEE C=CC1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCc2ccc(S(N)(=O)=O)cc2)CC1 1594449306 VWRVKRNHVHZLDP-FPOVZHCZSA-N 475.615 2.295 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(C)CCCO1 1595115578 LDIXJQNUTAYJCS-REWPJTCUSA-N 475.615 2.373 30 10 JEEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1595334942 KOIMMBGHNTVSFU-UHFFFAOYSA-N 456.572 2.462 30 10 JEEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(c2nccnc2C)CC1 1595405362 LUQNYLZQYJHYQT-GOSISDBHSA-N 470.578 2.198 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(Cc1c(F)cccc1F)C1CC1 1595789553 WRPUNVDGPWZVLC-SFHVURJKSA-N 465.526 2.277 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCOc2ccccc2)nnc1N1CCN2CCCC[C@@H]2C1 1595823112 KPBFHWQOJSNBDJ-HXUWFJFHSA-N 459.616 2.175 30 10 JEEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H](C2CCOCC2)C1 1595823683 QDWNKFXRTSANQP-SFHVURJKSA-N 493.655 2.123 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1595823757 SEKKXAAUBOJXEU-OALUTQOASA-N 476.555 2.189 30 10 JEEE COC[C@@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1)OC 1619606675 AUCQBGPSCJJDKM-XMMPIXPASA-N 492.628 2.385 30 10 JEEE COCC1(Cn2c(COc3ccccc3OC)nnc2N2CCO[C@@H](C#N)C2)CCOCC1 1619653563 DUDXIJVIOJTCNT-SFHVURJKSA-N 457.531 2.038 30 10 JEEE C[C@@H](CNC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21)c1nc(-c2ccccc2)no1 1624262750 FFOZDCIBPCOUDV-LSDHHAIUSA-N 453.524 2.474 30 10 JEEE C=CCNC(=O)CNC(=O)[C@H](C)Oc1ccc(N(C)S(=O)(=O)c2ccc(C)c(C)c2)cc1 1631619226 KECMQVGYBCNJGY-SFHVURJKSA-N 459.568 2.314 30 10 JEEE COC(=O)c1ccc2c(c1)CN(CC(=O)N1CCN([C@H](C#N)c3ccc(F)cc3)CC1)CC2 1652989601 CWRYRTVMHLVTIV-HSZRJFAPSA-N 450.514 2.379 30 10 JEEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CC(C)(C)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1689982333 KVGIVXJFRYVDFJ-HNAYVOBHSA-N 478.537 2.145 30 10 JEEE C#CCN(c1nnc(-c2cccc3cccnc23)n1CCC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1689984477 QCJSIZMLAVEZHO-IBGZPJMESA-N 480.594 2.035 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)N(C)C1CCCCC1 1690020124 ZDVJBQMOKFPNCD-OAQYLSRUSA-N 498.628 2.450 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1ccc(Cl)nc1 1690101422 ZSZWKMWHLWBGOL-UHFFFAOYSA-N 463.929 2.375 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CC[C@H](OC)C(F)(F)F)CC1 1690141966 GADULFKGIFFYHQ-KRWDZBQOSA-N 450.465 2.273 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1C[C@H](N1CCOCC1)C(F)(F)F 1690195986 UKLVSBLNKNBRAX-IOMROCGXSA-N 471.524 2.185 30 10 JEEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCO[C@@H](c2ccccc2)C1 1690300750 JIORKGGDAZBIQA-UYAOXDASSA-N 463.604 2.449 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1690659306 PHTHVGCFEBZROW-OAQYLSRUSA-N 492.584 2.244 30 10 JEEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC(C(=O)OC)CC1 1690671266 SKANEFDVQGLUNP-UHFFFAOYSA-N 490.605 2.084 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@]2(O)CCO[C@@H]2C)C1 1690684623 JPKMZKLMLAHPBV-DRMXPCRNSA-N 455.559 2.468 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1690719712 RDNYGTZZFMAKSK-FQEVSTJZSA-N 465.963 2.230 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(CC)CC1 1690722428 IYZVURFDUOCLIO-UHFFFAOYSA-N 480.660 2.465 30 10 JEEE CC(C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCNC(=O)c1ccccc1F 1691870506 CXKKWYFFBSYDGB-QGZVFWFLSA-N 477.548 2.347 30 10 JEEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCNS(C)(=O)=O)C[C@@H](c2ccsc2)O1 1693782188 CJQLVXKMBRNDMY-BEFAXECRSA-N 472.596 2.394 30 10 JEEE CCCN1CC[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](CNS(C)(=O)=O)C2)C1 1695355498 AURPWECMGVCWKQ-RTWAWAEBSA-N 485.658 2.314 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1Cc1c(Cl)cccc1OC)[C@@H]1CCS(=O)(=O)C1 1705565113 FZPFNVHCHQYBMS-OAHLLOKOSA-N 472.958 2.072 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1([S@](C)=O)CC1 1705582291 XYNYOKXTMFVGGY-UPTQXZAWSA-N 459.616 2.377 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CC12CCOCC2 1705619306 MVWNFNIBNWAQEY-MJGOQNOKSA-N 475.590 2.484 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2(CCOCC)CCCC2)CC1 1705647849 MZBWCLASJYRXGJ-FQEVSTJZSA-N 470.618 2.182 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CC[C@@](C)(O)c2ccccc2)CC1 1705648549 UIHUGDPLMJUFJR-CJFMBICVSA-N 451.571 2.046 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@@H]2CCCN(C(C)C)C2)CC1 1705650765 YAFMLSWEJZBUAW-JOCHJYFZSA-N 463.630 2.350 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N(C)C1CCC2(CC1)OCCO2 1705935822 DMZZNPIDPVRTSG-SFHVURJKSA-N 454.593 2.242 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)c1ccccc1F 1705936799 YPQSJWVBHARFCY-CVEARBPZSA-N 470.592 2.118 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](C[C@H]2CCOC2)C1 1705937805 FKZJEIOSSRFMCO-NHCUHLMSSA-N 476.647 2.384 30 10 JEEE CCN(C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cccn2)CC1)S(C)(=O)=O 1709975265 COEVILLQWDXCDH-UHFFFAOYSA-N 482.614 2.354 30 10 JEEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)Cc1ncnn1CC(F)F 1722330515 UUXBQLZGMAYURN-UHFFFAOYSA-N 467.484 2.098 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCN1CCCCC1=O 1722413713 QDCFVKGFLXZMKF-IBGZPJMESA-N 474.606 2.449 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CC[S@](=O)C(C)(C)C)CC1 1722434290 OTIZLOLIOQFDGM-UMSFTDKQSA-N 489.642 2.273 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCCN(C)c2ccccc2)CC1 1722440447 GZYCNJNQPGKUEY-GMAHTHKFSA-N 452.603 2.284 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2Cc2nnc(CC)s2)CC1 1722448671 GBGPUDHDAYMGGN-UHFFFAOYSA-N 467.574 2.436 30 10 JEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1c1ccc2c(c1)OCO2 1722450909 DNQULHJBHOJTBG-NVXWUHKLSA-N 477.612 2.325 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1722536141 CALSTFNMYFMBAG-MDNUFGMLSA-N 474.650 2.144 30 10 JEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 1722686104 SWLAERNTNHHTSV-JKSUJKDBSA-N 496.659 2.129 30 10 JEEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)CC1CCCC1 1722688797 LSNIIXZLPZHGRB-UHFFFAOYSA-N 459.620 2.475 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CC[C@@H](C(=O)N(C)c2ccccc2)C1 1722700943 ZXTDUHIHKQAMKI-HXUWFJFHSA-N 459.554 2.055 30 10 JEEE C[S@@](=O)C1(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CC[C@@](F)(C#N)C2)CCC1 1731019855 CVOIGJPIQOTBCA-HZAQMHFWSA-N 465.576 2.092 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Cl)n1CCN1CC=CCC1)[C@H]1CCS(=O)(=O)C1 1740619857 AGGONSNAQGXBMH-SFHVURJKSA-N 460.003 2.487 30 10 JEEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](C)N1CCC[C@@H](C)C1 1740683656 MHSONHWLJSIEEA-WOJBJXKFSA-N 487.674 2.445 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(CC(C)(C)C)n2CC2CCS(=O)(=O)CC2)n1 1740689585 YIBCHFVKBKRKGM-UHFFFAOYSA-N 476.647 2.174 30 10 JEEE C#CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1740714052 PWXJKEYHGMZEDR-UHFFFAOYSA-N 491.639 2.338 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)CCN1CCOC(C)(C)C1 1740778829 TXQQROYYNVEPOK-UHFFFAOYSA-N 476.647 2.319 30 10 JEEE C=CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1740891483 CDCNXGSSIHWGGN-FDDCHVKYSA-N 456.595 2.442 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCO[C@@H](CCc2ccccc2)C1 1740989931 CFMCJNHCGVUVEN-FQEVSTJZSA-N 468.583 2.174 30 10 JEEE CCc1ccc(CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@@H](C)CC#N)cc1 1744356231 DVLBSVGWOBRJQU-FXAWDEMLSA-N 460.604 2.154 30 10 JEEE C#CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1748706508 KXTRAIWYFSURPX-MRXNPFEDSA-N 453.938 2.329 30 10 JEEE C#CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1748751475 XQKCGSGESCEIOU-ZWKOTPCHSA-N 465.620 2.429 30 10 JEEE C#CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@]1(C)CN(C2CC2)C1=O 1748789110 VUICMFQNGJZFDU-MZNJEOGPSA-N 456.591 2.473 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1CCCOC(F)F)[C@H]1CCS(=O)(=O)C1 1748811353 FGHNZXQLXQYFMQ-HNNXBMFYSA-N 454.499 2.210 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1csc(COC)n1)[C@@H]1CCS(=O)(=O)C1 1748817579 MTAPNJFCGHCJJQ-MRXNPFEDSA-N 451.618 2.145 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1ccc(F)c(C)c1)[C@@H]1CCS(=O)(=O)C1 1748819637 QTSGWTRNNGLXNX-HXUWFJFHSA-N 453.543 2.386 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC(=O)NCC(F)(F)F)CC1 1748982785 DJMQQXNYDHCXCM-UHFFFAOYSA-N 458.847 2.171 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@H](N2CCOCC2)C(F)(F)F)CC1 1748999214 MBOONOUQLULBSU-FQEVSTJZSA-N 496.509 2.015 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCCc3ccccc3)n2CC2([S@](C)=O)CC2)CC1 1749015468 FCAGCBBDNIJXHR-XIFFEERXSA-N 467.639 2.330 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(C)COCCO1 1749552836 BNQOEIZVIXANHC-OXQOHEQNSA-N 452.602 2.240 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCOCC2)cc1 1749575248 OKEHKXVHTHDNDD-HXUWFJFHSA-N 457.600 2.244 30 10 JEEE C=CCOc1ccc(Cn2c([C@H]3CCCCO3)nnc2N2CCN(CC(=O)N(C)C)CC2)cc1 1749683709 DFDMXVIHEXAGGB-JOCHJYFZSA-N 468.602 2.343 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N(C)CC(=O)Nc1cc(F)cc(F)c1 1749731344 BTGPGPBYGYYUFN-HNNXBMFYSA-N 483.541 2.126 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]1c1cccs1 1749734938 ODRMOLQHXNXTIC-HOTGVXAUSA-N 470.642 2.184 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1749736856 QSSCWHIHKYPLDD-LJQANCHMSA-N 479.578 2.324 30 10 JEEE CC(=O)N1CCN([C@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCOC(C)C)C[C@@H]2C)CC1 1749886285 YZMSBHCYNVLXFG-CVDCTZTESA-N 465.602 2.231 30 10 JEEE C[C@@H]1CCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1 1752113297 GEORGUPDLJPNKM-UYAOXDASSA-N 452.559 2.460 30 10 JEEE CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1752485155 DJYGEIMLTIBOKQ-UHFFFAOYSA-N 453.595 2.191 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1Cc1c(CC)noc1C)[C@@H]1CCS(=O)(=O)C1 1760184259 HZSSDLUWJJQNMT-QGZVFWFLSA-N 469.567 2.488 30 10 JEEE C#CCN(c1nnc(C2CCCC2)n1CCCOCC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1760187132 IAJISDMPQVDBIV-OAQYLSRUSA-N 464.632 2.396 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1cnn(CC)c1)[C@H]1CCS(=O)(=O)C1 1760193467 ZVBLTFLYSSJFQK-XUVXKRRUSA-N 474.631 2.088 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccc(OC)cc2)n1C[C@]1(N2CCOCC2)CCSC1 1760210502 QXRGWWGHXUYNEY-RUZDIDTESA-N 481.622 2.146 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCCc2cnn(C)n2)CC1 1760256219 MDWVUFMZPVOOCY-UHFFFAOYSA-N 454.966 2.124 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)C[C@@H]1CC=CCC1 1760517544 PSEFXHZECRELHV-GOSISDBHSA-N 472.615 2.290 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(c2ccc(F)cn2)CC1 1760517939 COBWRFQEZGFCNG-UHFFFAOYSA-N 451.506 2.117 30 10 JEEE C=CCNC(=O)Cn1c(N2CCN(Cc3ccsc3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1760529071 WHCXIRRNKRBGSN-HSZRJFAPSA-N 474.631 2.005 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1760552403 MJNDESAQIUDYOD-IIBYNOLFSA-N 450.536 2.069 30 10 JEEE CC(C)C(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(N2CCCCC2=O)CC1 1760858455 HBKWXBHPZQBVPC-UHFFFAOYSA-N 493.612 2.482 30 10 JEEE CN(Cc1ccc(C#N)cc1)c1nnc(C(=O)N2CCCC2)n1C[C@]1(N(C)C)CCSC1 1767061615 BEFOFIOLBYSMGZ-HSZRJFAPSA-N 453.616 2.459 30 10 JEEE CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCC(O)CC2)C[C@H]1C 1767132121 HXZPZVVEOQKGRK-HXUWFJFHSA-N 467.618 2.106 30 10 JEEE CN(C)C(=O)CCCn1c(-c2cc(F)ccc2Br)nnc1N1CCO[C@@H](C#N)C1 1768435457 DCURVGVPOIGHAF-AWEZNQCLSA-N 465.327 2.444 30 10 JEEE N#Cc1ccc(-c2nnc(N3CCC(CCC(N)=O)CC3)n2C[C@H]2CCCN2CCCO)cc1 1771531814 DNLVPOIMNLDESZ-JOCHJYFZSA-N 465.602 2.145 30 10 JEEE CCCCCCCCNC(=O)[C@@H](CC(N)=O)NC(=O)c1ccc(=O)n(Cc2cccc(F)c2)c1 1861251571 GABUKVJYULYHMF-OAQYLSRUSA-N 472.561 2.486 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(O)c(O)c2)cc1OC 1862569569 PVZZHONMTGVSMS-QFIPXVFZSA-N 484.505 2.026 30 10 JEEE COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CCNC(C)=O)cc1OC 1862633174 HHYGBOITNCJVPU-NRFANRHFSA-N 468.462 2.147 30 10 JEEE COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2CCCNC=O)cc1 1862696270 OMCLBSLAIRDGQL-FQEVSTJZSA-N 452.463 2.196 30 10 JEEE N#Cc1ccccc1NC(=O)CNC(=O)C[C@@H](c1cccc(Br)c1)c1nn[nH]n1 1868164165 AMYBAIIPKINXRK-HNNXBMFYSA-N 454.288 2.111 30 10 JEEE CC(C)(C)N1C[C@H](C(=O)Nc2c(C#N)nnn2-c2ccc(I)cc2)CC1=O 1870150269 AQDNLBXGAYKBGR-LLVKDONJSA-N 478.294 2.329 30 10 JEEE CCOC(=O)c1ccc(N2C[C@H](C(=O)Nc3c(C#N)nnn3-c3ccc(N(C)C)cc3)CC2=O)cc1 1870151539 YVBFTVFLPIEOQI-QGZVFWFLSA-N 487.520 2.373 30 10 JEEE C=CCn1c(C(=O)NC[C@H](c2ccc(O)cc2)N(C)C)cc2c(N3CCN(CC)CC3)ncnc21 1873595785 RTVJVQZFCCYJCS-HSZRJFAPSA-N 477.613 2.498 30 10 JEEE CCCN(CCC)C(=O)COc1ccc(/C=N/n2c(COC)nnc2SCCO)cc1OC 1874505656 RXRCEMRDKPIENC-OEAKJJBVSA-N 479.603 2.427 30 10 JEEE CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2255623067 IVLATRFYXPCZTJ-GJZGRUSLSA-N 452.382 2.411 30 10 JEEE CC(C)(C)OC(=O)NC/C=C/CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2255752794 MFMLHPYMFJTPMS-CMDGGOBGSA-N 452.382 2.345 30 10 JEEE CC1(C)OB(c2scnc2CS(=O)(=O)NC[C@@H]2CCN2Cc2ccccc2)OC1(C)C 2255931320 JEPGLOSGDKFMSI-KRWDZBQOSA-N 463.434 2.136 30 10 JEEE C[C@H]1[C@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)CCCN1C(=O)OC(C)(C)C 2256614228 LSEDQMJPVYCGBL-QWHCGFSZSA-N 452.386 2.233 30 10 JEEE Cc1csc(CNC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)O)c1B1OC(C)(C)C(C)(C)O1 2256616544 BUPMNKCDDSAJKV-CZUORRHYSA-N 454.398 2.246 30 10 JEEE CO[C@]1(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)s2)CCN(C(=O)OC(C)(C)C)C1 2256622504 IAEKSOZWYJXNSJ-HXUWFJFHSA-N 453.370 2.407 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)[C@@H](CO)C1 2267286578 PKGCREPSMZKOTN-GDBMZVCRSA-N 466.409 2.395 30 10 JEEE C[C@@H]1CCN(C(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)[C@H](C)[C@H]1NC(=O)C(F)(F)F 2267478516 YZOYWEWEWZQIQU-WZRBSPASSA-N 461.315 2.360 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CN(C(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)CC[C@@H]1CO 2267592368 MAGCDQADVAQTHQ-ZBFHGGJFSA-N 466.409 2.395 30 10 JEEE Cn1ncc(C(=O)N[C@]23CCC[C@@H]2CN(C(=O)OC(C)(C)C)C3)c1B1OC(C)(C)C(C)(C)O1 2281813916 HAFVVIHQKVIPCW-CMJOXMDJSA-N 460.384 2.239 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](CNC(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)C[C@H]1O 2281935018 URDSWKDGNPYWCP-ATZDWAIDSA-N 460.380 2.380 30 10 JEEE CC[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 2281978136 YMYPPUOSGRKGSM-HOTGVXAUSA-N 462.400 2.485 30 10 JEEE CC(C)(C)OC(=O)N1[C@H](CNC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)C[C@H]2COC[C@H]21 2282029656 VLXDQGFYLDZBNF-OFQRWUPVSA-N 479.408 2.197 30 10 JEEE Cn1cc(C(=O)NC[C@@H]2CCN(C(=O)OC(C)(C)C)C23CC3)c(B2OC(C)(C)C(C)(C)O2)n1 2282061609 NAIXYJSIWZTODS-HNNXBMFYSA-N 460.384 2.239 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1[C@@H]2CN(S(=O)(=O)Cc3cccc(B4OC(C)(C)C(C)(C)O4)c3)C[C@@H]21 2282496739 GTJJEDRXXOUQQM-BWTSREIZSA-N 478.420 2.271 30 10 JEEE CCc1nc(C(=O)N[C@H]2COCC[C@@H]2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2282527146 YYRCAMPPOHXZSB-KBPBESRZSA-N 481.424 2.417 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CC[C@H]2C[C@H]1CN2C(=O)OC(C)(C)C 2282540072 DRKDSACGXGJATC-YQQAZPJKSA-N 460.384 2.237 30 10 JEEE Cc1c(C(=O)NCC2(F)CC(NC(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282553160 VPZFSVKLVNXQFI-UHFFFAOYSA-N 466.363 2.153 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H](O)CCC(=O)N1Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C1 2283975666 ZRJHTKNJVYJJDW-IBGZPJMESA-N 460.380 2.494 30 10 JEEE C[C@H](NC(=O)[C@@H](C)N1CC(NC(=O)OC(C)(C)C)C1)c1nscc1B1OC(C)(C)C(C)(C)O1 2284061741 YZCAWUNLAHIMKU-UONOGXRCSA-N 480.440 2.217 30 10 JEEE COc1cccc([C@H]2C(=C(O)c3cnc(C)nc3C)C(=O)C(=O)N2CCCN(C)C)c1OC 2296608943 OXPLELKPICGQFK-FQEVSTJZSA-N 454.527 2.484 30 10 JEEE COc1ccc(C=CC(=O)[C@@H]2CNCC[C@@H]2NC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)cc1OC 2328155749 HCPOYSPACCFXLU-HBGVWJBISA-N 491.544 2.065 30 10 JEEE CC1(C)OB(c2cncc(S(=O)(=O)N3C[C@@H]4C[C@H]3[C@@H]4NC(=O)OCc3ccccc3)c2)OC1(C)C 2334273795 FHXGZXSTDDAGKK-DZFGPLHGSA-N 499.398 2.069 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](C(=O)O)N(C(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C1 2362496694 MZRLSPAZYPERNO-OCCSQVGLSA-N 481.380 2.025 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@H]2C[C@](C(=O)O)(N3CCN(Cc4ccccc4)[C@@H](C#N)C3)C[C@@H]21 2373495580 MSAJZBNFNRRADQ-UPUUWEMXSA-N 470.570 2.318 30 10 JEEE C=CCn1nc(C)c(/C=N/Nc2nnc(SCC(=O)Nc3ccc(OC)cc3)n2N)c1C 59829837 BRCXTXXCGBWKES-SSDVNMTOSA-N 455.548 2.177 30 10 JEEE CCOc1ccc([C@@H]2/C(=C(/O)c3ccc([N+](=O)[O-])cc3)C(=O)C(=O)N2CCOCCO)cc1 103126181 MMBJMPORIYBMPK-GOBJLOIFSA-N 456.451 2.424 30 10 JEEE Cc1cc([C@@H]2CNCCO2)nc([C@H](S)C[C@@H](S)c2nc(C)cc([C@@H]3CNCCO3)n2)n1 164215515 PIMIHZIEVDTJNQ-INDMIFKZSA-N 462.645 2.237 30 10 JEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cc([N+](=O)[O-])ccc2OCC)c(=O)n1-c1ccccc1C 500529614 VVDYDFGFKNNGLH-UHFFFAOYSA-N 490.541 2.320 30 10 JEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)c3c(c2)OCO3)c(=O)n1-c1ccccc1C 590943464 MVPDLZZXSQWDGC-UHFFFAOYSA-N 479.945 2.395 30 10 JEEE CCCNC(=O)C(C#N)=c1sc(=Cc2cc(F)c(F)c(F)c2)c(=O)n1Cc1ccccc1 609074522 DEYSJFCTGITGAQ-UHFFFAOYSA-N 457.477 2.405 30 10 JEEE CCCC(C)=NNc1nc(SCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)n[nH]1 1084343125 POTMGWGQBQIIEW-UHFFFAOYSA-N 481.604 2.144 30 10 JEEE N#Cc1ccc(OCC(=O)N(CCN2CCOCC2)[C@H]2CCSC2)cc1Br 1141597727 DRHRMYGHVJLENO-INIZCTEOSA-N 454.390 2.366 30 10 JEEE Cc1c(C#N)c(NC(=O)CN2CCC(C(=O)NCCN(C)C)CC2)n(-c2ccccc2)c1C 1170859936 GQRUROAGOZRRRB-UHFFFAOYSA-N 450.587 2.294 30 10 JEEE C#CCC1(O)CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)c2)CC1 1175853749 HWBAPAMCSIEXHX-HZPDHXFCSA-N 454.976 2.128 30 10 JEEE C#CCSCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(C(C)=O)CC1 1286498767 AIRMLZDJDMWBMX-UHFFFAOYSA-N 459.572 2.006 30 10 JEEE C#CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@H](C)O[C@H](COC)C1 1286506818 OESFUHMPQYOTTK-ICSRJNTNSA-N 471.631 2.059 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(OCC(N)=O)CC1 1286557678 JWBVXSQHLWBFSW-MBSDFSHPSA-N 457.550 2.460 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c(C)nnc1N1CCN(c2cncc3ncnn23)CC1)C(C)C 1286751181 MXOWBXYJDHVSOI-FQEVSTJZSA-N 450.595 2.049 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1286817376 UBIBAMGCWAQCOI-PXNSSMCTSA-N 480.034 2.356 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](CC)c2ccccc2)nnc1N1CCN2C(=O)OC[C@H]2C1 1286817908 QCIXOTSWCIJCNG-RTBURBONSA-N 459.572 2.062 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1286822065 GLCNJUSCJBNFGA-SWLSCSKDSA-N 479.550 2.391 30 10 JEEE C#CCOc1ccccc1CNC(=O)CCNS(=O)(=O)c1ccc(Br)cc1 1293534697 NOFSOZPDVHJUSG-UHFFFAOYSA-N 451.342 2.446 30 10 JEEE CN(C)CC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(c2ccccc2C#N)CC1 1298070916 HKFYREUQDYOCIR-FQEVSTJZSA-N 464.618 2.405 30 10 JEEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN([C@H](C)c2nc(C3CC3)no2)CC1 1300336711 MJHDBCSSORYVQM-QGZVFWFLSA-N 454.579 2.363 30 10 JEEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@@H]1CCN(CCC)C1)[C@H]1CCS(=O)(=O)C1 1300487066 FNSCTVCXFSCBTK-MOPGFXCFSA-N 459.591 2.443 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1ccc(OC(F)F)cc1)[C@H]1CCS(=O)(=O)C1 1300496135 ONOHPOUPYCLBQS-ROUUACIJSA-N 480.537 2.449 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC1(CC)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1300496998 WWBBZRUAMOSLCP-RTBURBONSA-N 450.605 2.006 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCc2cc(OC)ccc21 1300509763 UNMGOVPFEKGKPS-MJGOQNOKSA-N 455.584 2.090 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(F)(F)Br 1300517094 XMXVUEUDVYPALB-UHFFFAOYSA-N 457.300 2.409 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1oc2ccccc2c1OC 1300579278 SOSNLQNSFUCEJL-KRWDZBQOSA-N 452.536 2.446 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CC(F)(F)C2(OC)CCOCC2)CC1 1300719745 ONIAXQXVOCTHNN-UHFFFAOYSA-N 488.539 2.137 30 10 JEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC)cc1C(F)(F)F 1301296054 DSWJZTNUIFWBIK-QGZVFWFLSA-N 489.520 2.309 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCCN(CC(F)(F)F)CC1 1301483296 NJXCOBOLVMTMHS-UHFFFAOYSA-N 482.507 2.339 30 10 JEEE CCC[C@@H](Cn1c(Cc2cccnc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C)OC 1306588836 BFDRXKPHSQDOFJ-ICSRJNTNSA-N 461.574 2.456 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1CC1(N(C)C)CCC1)[C@@H]1CCS(=O)(=O)C1 1358958553 QPLDRSACPYPFQQ-LJQANCHMSA-N 487.626 2.073 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CCCC(=O)NC1CC1)[C@@H]1CCS(=O)(=O)C1 1358958721 UUKLACNWMZRLPJ-LJQANCHMSA-N 476.002 2.284 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@](C)(O)[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1358958872 XTTSCVGERPBZLC-KDLAUNOPSA-N 490.626 2.386 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1C[C@@](C)(O)c1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 1358966720 VGIOLAGJUJQOSJ-VGOFRKELSA-N 463.003 2.418 30 10 JEEE C#CCN(c1nnc(COc2ccccc2OC)n1C[C@]1(C)CCCO1)[C@@H]1CCS(=O)(=O)C1 1358967802 SLDOZQLZXFFVKU-JPYJTQIMSA-N 474.583 2.062 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1nccn1C(F)F 1358991890 SMOUXRNDXFVNIB-UHFFFAOYSA-N 472.525 2.341 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C)c2ccc(F)cc2)CC1 1359045385 FSXJBSHMKXHDTB-FXAWDEMLSA-N 487.601 2.089 30 10 JEEE C#CCSCCn1c(-c2cccc(Cl)c2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1359050393 PCVXQWBVCXSROZ-UHFFFAOYSA-N 459.019 2.366 30 10 JEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCN(CC(C)C)C1)C1CC1 1359251446 LNEVGZFZZDQNPZ-PZJWPPBQSA-N 480.679 2.134 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1)C(C)C 1359265375 DRMAPZHJJMEQKB-URXFXBBRSA-N 487.674 2.392 30 10 JEEE C=CCNC(=O)Cn1c(N(C)Cc2cn(C)nc2C(F)(F)F)nnc1[C@@]1(OC(C)C)CCOC1 1359306004 SOXLCMHMNKUXQL-HXUWFJFHSA-N 485.511 2.010 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCN2CCOC[C@H]2C1 1359327611 GJXKLNBFWXAZPC-IEBWSBKVSA-N 496.033 2.193 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCCN(CC)C(=O)C1 1359331262 SKWYDJQUBMPQFJ-UHFFFAOYSA-N 484.582 2.260 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc(C(=O)N(C)C)cc2OCC)s1 1442040812 SCVHPRLDECGECF-UHFFFAOYSA-N 451.570 2.494 30 10 JEEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCO[C@H]3CCN(Cc4ccccc4)C[C@@H]32)c1 1452831342 ITSSQYNLHGNWDU-GOTSBHOMSA-N 455.580 2.266 30 10 JEEE CC(=O)N1CCc2c(sc(NC(=O)Cn3nc(C(F)(F)F)c4c3CCOC4)c2C#N)C1 1461784255 CIIKHLWRAIHLHN-UHFFFAOYSA-N 453.446 2.451 30 10 JEEE C=CC1(CC(=O)NCCCCN2CCN(c3ncccn3)CC2)CN(C(=O)OC(C)(C)C)C1 1464957236 QDVHHYKVCKMBKC-UHFFFAOYSA-N 458.607 2.308 30 10 JEEE C#Cc1ccc(NC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1 1472285941 JPLYBUDZZPGDLC-KRWDZBQOSA-N 453.442 2.238 30 10 JEEE N#C[C@@H]1CN(c2nnc(Cc3ccccn3)n2CCCn2cc(Br)cn2)CCO1 1505323225 DRGWPADUKMGKED-QGZVFWFLSA-N 457.336 2.042 30 10 JEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCNC(=O)c1occc1C 1507652839 JMSTYEHOVAPUOL-UHFFFAOYSA-N 486.580 2.246 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC(=O)NCC(F)F 1507668403 ZGOWAPDABAPULJ-UHFFFAOYSA-N 481.507 2.080 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](C)c2ccc(F)cc2)CC1 1507741319 ZCWYQIPBEUSAOU-SFHVURJKSA-N 466.561 2.309 30 10 JEEE C=C(Br)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 1507775032 GQGCAAYMZNQVDY-ZDUSSCGKSA-N 471.381 2.093 30 10 JEEE C=C(C)COCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)COC)CC1 1507835623 HVGKSJXVFFJAEL-UHFFFAOYSA-N 470.574 2.035 30 10 JEEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1507919111 LCUYZRZJJRETGB-HXUWFJFHSA-N 471.650 2.136 30 10 JEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2ccccc2C)CCOCC1 1507983324 PZPHRBKNJZTFMG-OAQYLSRUSA-N 489.642 2.290 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1508071987 AJDIUFZBMYBLHK-SJLPKXTDSA-N 474.993 2.268 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 1508148685 XRALINXQNYQHDH-IAGOWNOFSA-N 469.608 2.176 30 10 JEEE CC(=O)Nc1ccc(CCn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@H](C#N)C2)cc1 1508279342 GLQUMXSHDDONAH-LJQANCHMSA-N 479.566 2.199 30 10 JEEE CC[C@@H]1CCCN1c1nnc(COc2ccc(C#N)cc2)n1CCN1CCN(C(C)=O)CC1 1514081453 FYNGEFWBGUVJKM-OAQYLSRUSA-N 451.575 2.272 30 10 JEEE CCS(=O)(=O)N1CCC([C@H](C)N(C)C(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)CC1 1527451895 AWYSKHVATNQWOR-QFBILLFUSA-N 450.580 2.432 30 10 JEEE C#CCN(C)c1nnc(-c2cc(F)ccc2Br)n1CCN/C(O)=C1/N=CC=CC1=O 1539154758 KRPZBOKQFHENEK-ZPHPHTNESA-N 473.306 2.443 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H](C)Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 1539216325 QIKHQVDYPFQUPA-FUHWJXTLSA-N 458.613 2.246 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(F)cc2Br)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1539249722 AGPGBEGKQIYEFQ-OAHLLOKOSA-N 494.390 2.201 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1c(C)nn(C)c1C 1539305097 PFTVBBARJVCXHV-UHFFFAOYSA-N 450.568 2.210 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1539315400 LKVQGNGASNQACH-OALUTQOASA-N 466.586 2.357 30 10 JEEE C#CCN(CCOC)c1nnc(Cc2ccsc2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1539421793 YHMIAELOXVDIHD-VQTJNVASSA-N 477.656 2.221 30 10 JEEE C=C(Br)Cn1c(Cn2ccc3ccccc32)nnc1N1CCN(S(C)(=O)=O)CC1 1539606434 DPZJCMJZRSWQBE-UHFFFAOYSA-N 479.404 2.271 30 10 JEEE C=C(Br)Cn1c(N2CCN(C(=O)OC)[C@@H](C)C2)nnc1[C@]1(OCC)CCOC1 1539609112 KKGOVBIWZNGPQS-KSSFIOAISA-N 458.357 2.116 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(-n2cccn2)cc1 1539669752 TZOSRRHNBWXKKD-JOCHJYFZSA-N 499.641 2.442 30 10 JEEE C=CCCOCCn1c(-c2cccnc2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1540027078 OKCXAHXVNFUWHP-IBGZPJMESA-N 450.547 2.330 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc[nH]2)n1CCN1CCCS1(=O)=O 1540121530 KXMUYPFNLAJZGS-UHFFFAOYSA-N 451.556 2.373 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC(O)(C(F)(F)F)CC1 1540866575 SAMMWNSBXKWCJE-UHFFFAOYSA-N 469.464 2.158 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CC2(O)CCOCC2)C1 1540886284 ZGVRYSJQQYWWIT-GOSISDBHSA-N 474.558 2.294 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N(C)[C@H]1CCN(Cc2ccccc2)C1 1540903012 WGSBSUXPTYTHRV-RTWAWAEBSA-N 459.616 2.094 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCN(c2nccnc2C)CC1 1540904156 JLELTHRXHCBQLY-UHFFFAOYSA-N 481.626 2.203 30 10 JEEE CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCc2nc(C)no2)CC1 1545710721 GHDBQWLJAMXOTB-SFHVURJKSA-N 491.600 2.178 30 10 JEEE CN(C)S(=O)(=O)N1C[C@@H](C(=O)NC2CC2)C2(CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)C1 1548376055 IFMCYAHYCXZBBU-IBGZPJMESA-N 499.559 2.180 30 10 JEEE CNC(=O)[C@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(NC(C)=O)nc2)C1 1554400272 FTJOBTCOHXOWIZ-XMMPIXPASA-N 458.526 2.181 30 10 JEEE COCCN(c1nnc(-c2cccc(C#N)c2)n1CC(=O)N1CCOCC1)[C@@H]1CC[C@@H](C)C1 1555532534 HCWUPCJTVRWXSJ-WIYYLYMNSA-N 452.559 2.317 30 10 JEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1587706455 PJLHIUWJJCHXGH-MSOLQXFVSA-N 482.651 2.385 30 10 JEEE C#CCN(c1nnc(-c2ccc(Br)s2)n1C[C@@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1588041151 VJGPRXIFKKWMEK-KGLIPLIRSA-N 486.461 2.346 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1C[C@](C)(O)CCOC)[C@H]1CCS(=O)(=O)C1 1588041319 WHNBYQWOSMYKTK-HTAPYJJXSA-N 497.017 2.021 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@H](OC)c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1588065457 YWBBCSRNEREYGP-VXKWHMMOSA-N 483.569 2.417 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H]1CCCS(=O)(=O)C1 1588079272 UYICYQNZQBWKAA-LJQANCHMSA-N 453.568 2.045 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC[C@H]2CCO[C@H](C)C2)CC1 1588968610 NNJCDYINPQMRCH-WAGURGNTSA-N 473.618 2.173 30 10 JEEE C=C(Br)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1589347070 DJYJGYHMBFHVAW-ZDUSSCGKSA-N 475.800 2.420 30 10 JEEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1589442841 DYDSGSMMLFETAF-HNAYVOBHSA-N 454.369 2.083 30 10 JEEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](n2cncn2)C1 1589483502 OWPOXEZWGBCWHA-JYJNAYRXSA-N 452.357 2.344 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(c2nccc(OCC)n2)CC1 1589731200 BYNCPIAWRXOCPC-UHFFFAOYSA-N 483.598 2.440 30 10 JEEE C=CCn1c(N2CCN(C(=O)c3ccccc3OCC)CC2)nnc1[C@@]1(OCC)CCOC1 1595453498 XWIGKGNJECYVFU-XMMPIXPASA-N 455.559 2.477 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccc(C(F)(F)F)cc2)CC1 1595529899 LSZTWOVCTRLBOP-UHFFFAOYSA-N 474.491 2.326 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(c2cccc(F)c2F)CC1 1595556111 OFWRQLPKPKBTJM-UHFFFAOYSA-N 453.497 2.171 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 1595784914 NGDDOEBEPXWYGN-UHFFFAOYSA-N 470.603 2.114 30 10 JEEE C=CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1595854771 MRHWXABQCKUUBN-UHFFFAOYSA-N 496.645 2.470 30 10 JEEE CC(=O)N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)N1CCN(c2snc(C)c2C#N)CC1 1595958274 GUBLWMZOMOIJTD-FQEVSTJZSA-N 454.531 2.340 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1Cc1cccc2c1OCCCO2 1611683848 ANLWTKNKNKRADC-MRXNPFEDSA-N 474.587 2.228 30 10 JEEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)C[C@@H](C)S1 1612977096 ASOIWBVEVLHBQJ-CALCHBBNSA-N 476.628 2.094 30 10 JEEE CCOC(=O)[C@@H](Cc1ccccc1)NCC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 1620477972 BRGDKZPNOCFDIX-PKTZIBPZSA-N 452.530 2.299 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1 1666981339 RGKMLYKYQUUBTR-UHFFFAOYSA-N 459.572 2.392 30 10 JEEE C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N[C@H](CN2CCN(C)CC2)c2ccccc2)cc1 1670221901 DCUWLORKKJUIDZ-XMSQKQJNSA-N 455.584 2.483 30 10 JEEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CCn1cc(Br)cn1 1690034391 GRDBDOUWDDHDPY-NRFANRHFSA-N 475.391 2.441 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN(C(=O)OC(C)(C)C)C1CC1 1690077549 REYFATDBGOFRLA-MRXNPFEDSA-N 451.593 2.039 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1690112496 ZFHNDVBXJZPACZ-MOPGFXCFSA-N 475.590 2.137 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2C[C@]2(O)CCSC2)CC1 1690117344 DRIBNOUBILYZOV-XMMPIXPASA-N 471.627 2.366 30 10 JEEE C=CCSCCn1c(C2CCC2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1690745053 WYPBFXBTVZMANZ-UHFFFAOYSA-N 465.649 2.018 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1Cc1cccnc1-n1cccn1 1692766145 DYLRMCZUFJDVQK-KRWDZBQOSA-N 491.581 2.025 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H]1CCSC1)[C@@H]1CCS(=O)(=O)C1 1705563097 QTELURUETCRHHH-DLBZAZTESA-N 476.624 2.342 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H](C)N1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1705563588 AMTBXYIWHGXDRW-TZIWHRDSSA-N 456.616 2.087 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@H](C)c1ncc(C)s1)[C@H]1CCS(=O)(=O)C1 1705568548 POJJTRVJFYNULZ-KXBFYZLASA-N 487.655 2.335 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1705572330 XZNJAVVMLVVRBG-BDTNDASRSA-N 472.611 2.180 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCc2nccn2C1 1705583070 PMJSDDLXFVEEBC-VQTJNVASSA-N 479.585 2.118 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2ccc(OC(F)(F)F)cc2)CC1 1705631365 BQQSRKXDZZSTTQ-UHFFFAOYSA-N 476.503 2.411 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCN2CCN(C(C)=O)CC2)CC1 1705635907 PSQVAGBNPFSWAT-UHFFFAOYSA-N 477.657 2.162 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CCCCC)CC1 1705648076 QZFFQVVCBPXGQB-UHFFFAOYSA-N 471.631 2.394 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CCCCS1(=O)=O 1705669133 DNDZSXVZUVGOPH-BWAGFHJFSA-N 450.605 2.278 30 10 JEEE C=C(Cl)Cn1c(N2CCN(c3nccc(OC)n3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1705760778 RXSPTCQQTPEPED-OAQYLSRUSA-N 463.970 2.196 30 10 JEEE C=CCCOCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1705827292 ZWNPHCAFELKUFR-WMZHIEFXSA-N 497.600 2.435 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 1705900299 YGUKAZNBJJRWTN-KRWDZBQOSA-N 452.494 2.115 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCOCC2(CC2)C1 1705902526 GOVIBLRVMQXANR-GOSISDBHSA-N 474.606 2.312 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](c2ccc(CC)cc2)C1 1705908493 CQUZHXUVLWMXLB-FUDKSRODSA-N 469.586 2.445 30 10 JEEE C=CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(c2cccnn2)CC1 1705942386 QLGDFPPNPBTRBQ-UHFFFAOYSA-N 485.639 2.384 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccnc(OCC(F)(F)F)c1 1706746690 DGBJGCMEQKGEHD-ZFWWWQNUSA-N 472.493 2.303 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1Cc1ccc(N(C)C)nc1)[C@@H]1CCS(=O)(=O)C1 1722359019 HYXDFFJFQZNMMX-HXUWFJFHSA-N 480.594 2.090 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCO[C@H]1C(=C)C)[C@@H]1CCS(=O)(=O)C1 1722365567 DQDMAZHIUINVHB-ZVDOUQERSA-N 455.584 2.256 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1CCn1cc(Br)cn1)[C@@H]1CCS(=O)(=O)C1 1722369282 ZZNUBHZKMMJHJB-MRXNPFEDSA-N 483.436 2.153 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H]2CCN(CC(F)(F)F)C2)CC1 1722445783 COWQPFORGGKPKK-MRXNPFEDSA-N 463.508 2.123 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2C[C@@H]2CN(CC(C)C)CCO2)CC1 1722447977 SJHUCNGNIHJUAT-NRFANRHFSA-N 458.651 2.189 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1722504112 YIFTWVXUCYEPNU-OPYAIIAOSA-N 452.563 2.173 30 10 JEEE C=C(C)COCCn1c(N2C[C@@H](C)OC3(CCOCC3)C2)nnc1[C@]1(OCC)CCOC1 1722535667 DKOZOCSCVZWPKI-XXBNENTESA-N 450.580 2.297 30 10 JEEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2C[C@@H](C)O[C@H](C)C2)CCN1S(C)(=O)=O 1726477495 HACQHEKCHKUSRZ-RCCFBDPRSA-N 472.615 2.490 30 10 JEEE C[C@H]1CCCCN1CCCn1c(COc2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1 1726548185 HFEDVPCJWDALHA-NRFANRHFSA-N 495.628 2.288 30 10 JEEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N2CCOCC2)C[C@H](C(F)(F)F)O1 1726670554 FRKQRCOYCQUCMW-MAUKXSAKSA-N 478.475 2.222 30 10 JEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCC(=O)NCc1ccccc1 1740607372 OGWXZNHRLFJZMJ-UHFFFAOYSA-N 465.583 2.014 30 10 JEEE C#CCN(c1nnc(C2CCC2)n1CCCN(C)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1740622248 BEZISWLAVPHYGS-GOSISDBHSA-N 465.620 2.429 30 10 JEEE C#CCN(c1nnc(CCOc2ccccc2)n1CCN1CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1740625996 UUVKMHOMURNYJS-LEWJYISDSA-N 471.627 2.011 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC(O)(CC)CC)[C@H]1CCS(=O)(=O)C1 1740628828 UXTDHUAGYAEBQT-IPMKNSEASA-N 466.648 2.375 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC2(C)COC2)CC1 1740703300 MWJMNKLAMRSLRJ-UHFFFAOYSA-N 461.364 2.038 30 10 JEEE C=C(Br)Cn1c(Nc2cnn([C@@H]3CC3(F)F)c2)nnc1[C@@H](C)NS(C)(=O)=O 1740750368 PKRKQXAIMSROMO-MWLCHTKSSA-N 466.312 2.317 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2noc3c2COCC3)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1740756062 FJJDFCXJSWNWCY-NLDJYOPPSA-N 479.603 2.245 30 10 JEEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CC(=O)N(C)C)CC1 1740844119 WKLIMKFLDKADMO-INIZCTEOSA-N 454.641 2.185 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@H](N2CCCCC2)C1 1740955503 WJKGVOYRPGWRJB-LJQANCHMSA-N 454.575 2.329 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1740963889 AGIHCWFNTXFJHM-YGKZAACZSA-N 459.522 2.071 30 10 JEEE CCn1cccc(Cn2c(-c3cccc(C#N)c3)nnc2N(C)C[C@H]2CCN(C(C)=O)C2)c1=O 1746358351 CMJGHXXEDQVDOH-HXUWFJFHSA-N 459.554 2.351 30 10 JEEE CCN1C[C@H](C)N(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CC(=O)N(CCOC)C2)C[C@H]1C 1746375576 HQOJNJNPXQYSHT-DYXWJJEUSA-N 465.602 2.231 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(c2cccc(OC)c2)CC1 1748751554 ISJIQQPNLOSGKA-QFIPXVFZSA-N 487.626 2.417 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@H](c1ccco1)N(C)C)[C@H]1CCS(=O)(=O)C1 1748815988 VGBRUVPLDXNRLH-ICSRJNTNSA-N 468.583 2.171 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccc(C)n3)n2Cc2cnn(C)c2C)n1 1748970936 XSKYURHQXKPUIY-UHFFFAOYSA-N 459.558 2.221 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2Cc2cnnn2C)CC1 1749006116 IPTZNLPBAMUFPZ-UHFFFAOYSA-N 497.401 2.159 30 10 JEEE C#CCSCCn1c(-c2ccccc2Br)nnc1N1CCN(C(=O)COC)CC1 1749029210 NZNUVLSBDUPPML-UHFFFAOYSA-N 478.416 2.369 30 10 JEEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1749231967 ADAIKDVWTHHKCW-UHFFFAOYSA-N 474.631 2.302 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1749652367 MGXIXBOVRKXWBP-WMLDXEAASA-N 464.364 2.250 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1749657842 HNWITMMMCRUOFH-XMMPIXPASA-N 470.574 2.006 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1749670983 XDXUAOPFGYZCDC-QGZVFWFLSA-N 479.459 2.441 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@@H]1c1nncn1C 1749677745 JJUWDSPTJLYYBE-LJQANCHMSA-N 450.547 2.246 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2(CCC)CCC2)C1 1749712905 NAKVZRVCDLHIJZ-OALUTQOASA-N 467.636 2.363 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@@]2(CCOC2)C1 1749725480 RNJCNWDCLVPRQK-FQEVSTJZSA-N 452.964 2.195 30 10 JEEE CC[C@H](C)[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1752550957 GZKYRSALAVJPNC-DFBJGRDBSA-N 467.618 2.260 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2CCOC[C@@H]2OC)c1 1760127981 SRLOYDAMSAQTSO-QDNNMPSSSA-N 497.596 2.110 30 10 JEEE C#CCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N(C)CC(=O)NC(C)(C)C 1760157099 DRSXJDPTJIULKC-UHFFFAOYSA-N 465.646 2.407 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1C[C@](C)(O)CCOC)[C@@H]1CCS(=O)(=O)C1 1760182912 KVOBKDPYHJDKCB-IIBYNOLFSA-N 484.981 2.152 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1CCCc1nc(C)no1)[C@H]1CCS(=O)(=O)C1 1760183340 AUNKVPFZWQSUPG-SFHVURJKSA-N 454.556 2.204 30 10 JEEE C#CCN(c1nnc(CC2CCCC2)n1Cc1ccc(S(C)(=O)=O)cc1)[C@H]1CCS(=O)(=O)C1 1760189807 LYJRCTKKIIXKFD-FQEVSTJZSA-N 490.651 2.089 30 10 JEEE C#CCN(c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@](C)(O)CCOC)[C@@H]1CCS(=O)(=O)C1 1760190472 WQACCRUPHTVWOA-NTKDMRAZSA-N 499.593 2.014 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@@H](C1CC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1760191087 AGOQLGWIUQZKOO-UNMCSNQZSA-N 471.627 2.132 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2CCCN2C[C@H](C)O[C@H](C)C2)CC1 1760264483 PVVYAVLMVSMTOZ-OYRHEFFESA-N 470.593 2.251 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1760313460 OFKWTZXQQDARHI-SVFBPWRDSA-N 460.623 2.087 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccs1 1760322166 ORSPBLSZMLWTGA-WDSOQIARSA-N 481.644 2.290 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N(CC)CCS(C)(=O)=O 1760324139 IUZCLSFQRPGFKL-APWZRJJASA-N 453.634 2.486 30 10 JEEE C=C(C)Cn1c(CCc2ccccc2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1760347116 DICCRRNVCFOTRM-UHFFFAOYSA-N 456.572 2.279 30 10 JEEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC2CCOCC2)CC1 1760428040 NQDCGLNRSXLMKY-FQEVSTJZSA-N 451.637 2.085 30 10 JEEE C=CCCOCCn1c(-c2cc(Br)cn2C)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1760447927 SHMJGQZBGYAIKW-ZBFHGGJFSA-N 463.380 2.354 30 10 JEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1760510156 IDUQFXYIVFHWAG-PMPSAXMXSA-N 457.597 2.030 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCc3ccc([N+](=O)[O-])cc3C2)nnc1[C@]1(OCC)CCOC1 1760558200 ITMKVDBWUIQOKY-QFIPXVFZSA-N 491.570 2.002 30 10 JEEE CC[C@H](C)NC(=O)CCn1c(-c2cnccn2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1762040909 GAHMHEQEJVRLIH-IBGZPJMESA-N 473.585 2.234 30 10 JEEE C=C(C)Cc1c(C)nn(CCC(=O)NCCNC(=O)[C@H]2CC(=O)N(c3cccc(OC)c3)C2)c1C 1860305354 XNYZUVJKJGWWCS-FQEVSTJZSA-N 481.597 2.303 30 10 JEEE C=CCOc1ccccc1[C@@H]1C(C(=O)N(CCOC)CCOC)=C(N)Oc2c1c(CC)nn2C 1865224070 BWBNYLFGQCNBMH-FQEVSTJZSA-N 470.570 2.363 30 10 JEEE Cc1ccc([C@@H](C#N)NC(=O)[C@H](CO)NC(=O)c2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)cc1 1867528536 ZYNFLGRSEMVHEO-PKTZIBPZSA-N 488.544 2.396 30 10 JEEE CN(CCO)Cc1cc(=O)c(OCC(=O)Nc2sc3c(c2C#N)CCC3)cn1Cc1ccccn1 1870324247 BPRLZGCKPNEBGQ-UHFFFAOYSA-N 493.589 2.155 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)COc2nonc2C(=O)NCCc2ccc(F)cc2)nc1C 1872706991 YAADPUDRLXSHIM-UHFFFAOYSA-N 489.485 2.306 30 10 JEEE CC(C)(C)OC(=O)N[C@H](Cc1ncns1)C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 2060779143 HWVITJLZVXDHEG-QZTJIDSGSA-N 456.572 2.210 30 10 JEEE CC(C)(C)OC(=O)NC(C)(C)[C@H](O)C(=O)NCCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2180970741 QVOTYLGLPWRANG-GOSISDBHSA-N 462.396 2.309 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](NS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2247901610 MYAYPPPXYOBIJM-CYBMUJFWSA-N 458.411 2.335 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H](CO)NC(=O)c1cc(Cl)cc(B2OC(C)(C)C(C)(C)O2)c1 2255824151 CCDNHHLZDLTBSL-INIZCTEOSA-N 454.760 2.255 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@](CO)(NC(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2255877663 LIBPVKYYDUDGDU-OAQYLSRUSA-N 452.382 2.149 30 10 JEEE CC(C)(C)OC(=O)NO[C@@H](C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1)C1CC1 2256619527 ZVEFIZLLQALYFJ-CQSZACIVSA-N 453.370 2.293 30 10 JEEE Cc1c(C(=O)NC(C)(C)CCNC(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2266996832 RDODWDJJXHQRMD-UHFFFAOYSA-N 450.389 2.451 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2Cl)C1 2267014260 WMRCHXFEVFYCCS-SJORKVTESA-N 466.771 2.349 30 10 JEEE COCC1(NC(=O)c2nc(C)sc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2267244867 QUKIMOIYZKIOET-UHFFFAOYSA-N 467.397 2.116 30 10 JEEE CON(C1CN(C(=O)OC(C)(C)C)C1)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2267471643 IYGMPEBLPVESEL-UHFFFAOYSA-N 488.437 2.360 30 10 JEEE CN(C[C@@H]1CN(C(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)CCO1)C(=O)OC(C)(C)C 2267546677 ADOOXPOKAKFAAV-CQSZACIVSA-N 467.397 2.150 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H]1CCOC[C@@H]1NC(=O)OCc1ccccc1 2267601620 YTGWQWYJWYFKPN-PMACEKPBSA-N 483.374 2.138 30 10 JEEE C[C@H]1CN(C(=O)OC(C)(C)C)[C@@H](C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)CO1 2268635180 OMKOPWHXPFJJEQ-UONOGXRCSA-N 467.397 2.083 30 10 JEEE CC(C)(C)OC(=O)N1[C@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C[C@@H]2CCC[C@@H]21 2268636589 FMSSCHDIWBOINM-IHRRRGAJSA-N 464.397 2.376 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1NC(=O)[C@@H](O)CCNC(=O)OC(C)(C)C 2268708311 ZMDMTGRXHRMOAB-INIZCTEOSA-N 450.341 2.209 30 10 JEEE Cc1c(C(=O)N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281989711 CWYPVGWEUKRZDN-MRXNPFEDSA-N 462.400 2.405 30 10 JEEE C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)CCN1C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282044989 XJRKHJKXGWKLND-CVEARBPZSA-N 462.400 2.485 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@H]2CN(C(=O)C3CC(B4OC(C)(C)C(C)(C)O4)C3)CCN2C1=O 2282061867 QFABEZCIYCAQSX-GQGLESIBSA-N 463.384 2.195 30 10 JEEE CO[C@H]1C[C@H](CNC(=O)OC(C)(C)C)N(C(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282171252 HVQNGZJXWDFMQR-MSOLQXFVSA-N 461.368 2.135 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CNS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1)C1CCC1 2282288507 OTIQRBNLMLBCKK-SFHVURJKSA-N 481.424 2.353 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2F)C[C@H](O)C1 2282410545 BOBNDLIVHOHUSG-INIZCTEOSA-N 464.343 2.179 30 10 JEEE Cn1cc(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 2282553934 WICKLMNHAMZHQF-HOTGVXAUSA-N 460.384 2.380 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1SC 2282609356 HEBPZVOUYBCLLW-JKSUJKDBSA-N 480.440 2.283 30 10 JEEE Cn1nc(C(=O)NC[C@H](CNC(=O)OC(C)(C)C)C(F)(F)F)cc1B1OC(C)(C)C(C)(C)O1 2282623533 GDUJJEBAHFLMQE-GFCCVEGCSA-N 476.305 2.152 30 10 JEEE CCN(C(=O)OC(C)(C)C)C1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(O)cc2O)C1 2282983533 LNSUNHGKTJDQDL-UHFFFAOYSA-N 462.352 2.478 30 10 JEEE COC[C@@H](ONC(=O)OC(C)(C)C)C(=O)Nc1ccc(OC)cc1B1OC(C)(C)C(C)(C)O1 2283945990 IIAYLAILBGOHKF-QGZVFWFLSA-N 466.340 2.404 30 10 JEEE COC(C)(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)c(C)n1 2283986734 SPPOAHJZRVQGFS-HNNXBMFYSA-N 464.372 2.341 30 10 JEEE CO[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2284040373 LBGHGSZOURZIEB-CABCVRRESA-N 481.424 2.331 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H](CN(C)Cc1ccccc1)C(=O)O 2284475192 UDCZOIUWWMIRPU-LJQANCHMSA-N 455.364 2.122 30 10 JEEE COC(=O)c1[nH]c(C)c(C(O)=C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccco2)c1C 2296936240 JEVWJBCBEYAHDT-FQEVSTJZSA-N 471.510 2.155 30 10 JEEE Cc1scc(C(=O)NC[C@@](C)(CO)NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2320428896 XNWIKAKOAKNZHA-NRFANRHFSA-N 454.398 2.361 30 10 JEEE COc1ccc2c(C=Nn3cnnc3SCC(=O)NCc3ccco3)c(C(=O)O)[nH]c2c1 2321876811 HDKDGZKYCRTKBG-UHFFFAOYSA-N 454.468 2.350 30 10 JEEE CNC(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)C1CC(B2OC(C)(C)C(C)(C)O2)C1 2369308904 ZSRDCJYUWPFZGK-JCYILVPMSA-N 465.400 2.443 30 10 JEEE Cc1cc(CNCC2(C(N)=O)CN(C(=O)OC(C)(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2369630797 BGGYKIPSXDJDCG-UHFFFAOYSA-N 459.396 2.106 30 10 JEEE NC(N)=NS(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccc(OCCc3ccccc3)cc2)cc1 14041699 QYBRICYMGUUMJB-UHFFFAOYSA-N 497.602 2.397 30 10 JEEE COc1cccc(/C(C)=N/Nc2nnc(SCC(=O)Nc3ccc4c(c3)OCCO4)n2N)c1 21326183 IMFNOOZJJHRHKH-ZMOGYAJESA-N 469.527 2.339 30 10 JEEE Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1/C=C\C(=O)OCC(=O)Nc1sccc1C#N 96491990 NTPZGOQSTVYLGE-ZRMMWKCHSA-N 468.944 2.333 30 10 JEEE COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccc(OC)c2OC)cc1 102432017 WBQZIPOYIAATRJ-RKKARLDVSA-N 482.533 2.466 30 10 JEEE COc1cc(Br)cc(/C=N/NS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c1OC 169907688 NGXPSMOUDHIPKL-QGMBQPNBSA-N 456.274 2.213 30 10 JEEE COc1cc([N+](=O)[O-])c(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1SC 482023628 DGDKEEQVAXHVKF-UHFFFAOYSA-N 476.536 2.344 30 10 JEEE C[C@H]1Oc2ccc(C(=O)C[S@@](=O)CC(=O)Nc3sc4c(c3C#N)CCC4)cc2NC1=O 586348496 MRCOHRKZRSGLGH-VMTQLHELSA-N 457.533 2.398 30 10 JEEE C=CC[C@@H](NC(=O)Cn1cc(CNC(=O)OCC2c3ccccc3-c3ccccc32)nn1)C(=O)O 757437926 MZXPNEZMYZRGGG-JOCHJYFZSA-N 475.505 2.462 30 10 JEEE C#CCN(CC(=O)O)C(=O)[C@H](Cc1cnc[nH]1)NC(=O)OCC1c2ccccc2-c2ccccc21 757537563 BLDQQOFSQZZNLG-QHCPKHFHSA-N 472.501 2.406 30 10 JEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 1286350312 ZGOAUXPCAJVUMN-FUHWJXTLSA-N 464.613 2.195 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCCN1CCCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1286390575 AXZMCZQGTWSOLD-YPAWHYETSA-N 477.675 2.453 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1CC1CCC(OC)CC1)[C@H]1CCS(=O)(=O)C1 1286391396 HZENUIGGQUGVKD-SYYJFZTOSA-N 477.656 2.466 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCSCC1 1286458361 RJOXLHMNOJXJKY-LJQANCHMSA-N 477.631 2.008 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](C)(CC)C1 1286556954 SFNGVTOKCSQHCI-MDPIYQRISA-N 467.636 2.219 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)c2ccsc2)CC1 1286607267 DVHVSFCKGOIUTI-SFHVURJKSA-N 493.655 2.233 30 10 JEEE C=CCCOCCn1c(-c2cn(C)c3ccccc23)nnc1N(C)CC(=O)N1CCOCC1 1286711308 MORJOZDSKXQCQC-UHFFFAOYSA-N 452.559 2.325 30 10 JEEE C=CCn1c(-c2cc(OC)ccc2Br)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1286770509 NNHVHCUJYVAIGV-UHFFFAOYSA-N 475.347 2.423 30 10 JEEE C[C@H](CN1CCOCC1)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1288704867 GKKHDQPUFZBXPL-DENIHFKCSA-N 486.642 2.189 30 10 JEEE CO[C@@H](C)c1nc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(S(C)(=O)=O)CC2)cs1 1299518673 BAQSESYGVCMXHO-HNNXBMFYSA-N 487.611 2.111 30 10 JEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1(C(=O)N(C)C)CCCC1 1300438269 JQIOJEZCSATJPO-UHFFFAOYSA-N 471.631 2.265 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2CCCNC(=O)c2occc2C)CC1 1300691287 SIUWYBJCWZQBFX-UHFFFAOYSA-N 462.554 2.430 30 10 JEEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CCc2c(ccnc2N(C)C)C1 1300856918 MDQQFDAGYTYYCN-UHFFFAOYSA-N 460.380 2.333 30 10 JEEE COCC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCO[C@H]2C(C)C)CC1 1300899345 FJSXMVCMEDNORR-OFVILXPXSA-N 496.612 2.475 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1301568324 RDJMZKVMYLFZAR-IBGZPJMESA-N 497.625 2.475 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1301586470 MGLBZYWAUILBFU-IBGZPJMESA-N 471.587 2.015 30 10 JEEE COc1ccc(CCc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@H]2CCCN2CCCO)cc1 1315449456 HDNXHUZEYAXAPZ-GBXCKJPGSA-N 456.566 2.361 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(C(=O)N2CCCCC2)cc1 1358872059 NWBVGGVJXYYIHI-ZWKOTPCHSA-N 472.615 2.021 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1358876572 MNNURRZHUQXLOR-CABCVRRESA-N 453.515 2.286 30 10 JEEE C#C[C@H](C)N(C)c1nnc(CCCc2ccccc2)n1CCS(=O)(=O)N1CCSCC1 1358895914 TXWBHTYDFFEWCX-IBGZPJMESA-N 461.657 2.290 30 10 JEEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1358929677 FSHHQLJFDPVPLJ-JPYJTQIMSA-N 493.630 2.015 30 10 JEEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CN(CC(C)C)CCO1 1358954308 CXUDSQIISOIZTD-ZCNNSNEGSA-N 460.623 2.475 30 10 JEEE C#CCN(c1nnc(-c2cccc(Br)c2)n1C[C@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1358957155 QJOYEULAAPBYDN-MAUKXSAKSA-N 480.432 2.284 30 10 JEEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC1([S@@](C)=O)CC1 1358977955 APOFFYUBRPGUKO-JGCGQSQUSA-N 459.616 2.377 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCc1c[nH]c2ccccc12 1358985379 XKXLMWWDHUOGTM-GOSISDBHSA-N 452.584 2.465 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](c2ccccc2Cl)N(C)C)CC1 1359044548 IQHIRYDJIDQNBT-LEWJYISDSA-N 498.031 2.151 30 10 JEEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCCN(CC(F)(F)F)CC1 1359052978 WVYHXIKRVUEGRH-UHFFFAOYSA-N 491.547 2.362 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccc2F)nnc1N1CCN(CC(=O)N(C)C)CC1 1359101513 OZSTTWLSJVBANU-RDPSFJRHSA-N 470.593 2.199 30 10 JEEE C=C(C)COCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1359127776 AARDUPNQHSMDCY-XMMPIXPASA-N 471.558 2.280 30 10 JEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)c(OC)c1)C1CC1 1359251293 HSORXIFSHOUSKB-HXUWFJFHSA-N 461.588 2.131 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCOC[C@H]1OC 1359263854 NWWSOGUBDQMTPW-YQVWRLOYSA-N 466.629 2.486 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)C[C@H]1CCCO1 1359299837 OEFHKPLTXJSEDW-ZWKOTPCHSA-N 462.595 2.310 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 1359330165 JEQXZQPXAKKVMB-LJQANCHMSA-N 473.521 2.471 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2c[nH]c3ccccc23)nnc1N1C[C@H](C)O[C@H](COC)C1 1359330875 FZKBXULDFNTVJV-IRXDYDNUSA-N 459.572 2.267 30 10 JEEE CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3ccccc3O[C@@H](C)C#N)cc2)CC1 1435646699 FGSCEEBXPNLAHU-INIZCTEOSA-N 456.524 2.083 30 10 JEEE Cc1nc(C)c(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(OCC(N)=O)CC2)s1 1492657902 FJQISYDTYYHNIK-UHFFFAOYSA-N 451.556 2.409 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CC2(COC)CCC2)c1 1507549966 CWDBYJPYLUWOOY-IBGZPJMESA-N 450.543 2.102 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1CCCc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1507630772 HEXYCGYBNBERCG-IBGZPJMESA-N 466.567 2.003 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@H]1CCCN1S(C)(=O)=O 1507643574 OPVNNJGXUVMJBP-LJQANCHMSA-N 462.579 2.299 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1Cc1ccccc1CN1CCC(O)CC1 1507711716 YGXGQUFPWRJQKP-HSZRJFAPSA-N 467.614 2.263 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1507844225 FOUKBAYMDYRTKU-HXUWFJFHSA-N 454.575 2.190 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CNC(=O)c2cccs2)n1C[C@]1(O)CCOC1 1507998246 DECNNGLAYCAZJG-XMMPIXPASA-N 478.578 2.485 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(OC)c(OC)c2OC)C1 1508126267 UBLSZAUFAGYIAA-SJORKVTESA-N 457.531 2.085 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1508137662 PIUHXFDQIURWKZ-QGZVFWFLSA-N 458.563 2.488 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC(Cn2cc(C)cn2)CC1 1508137670 POSFURMAIVGIRF-UHFFFAOYSA-N 457.604 2.306 30 10 JEEE CCc1ccccc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1 1513673164 CTSUPFSHWLEXGZ-OAQYLSRUSA-N 472.615 2.352 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1Cc1ccc(CS(C)(=O)=O)cc1)[C@H]1CCS(=O)(=O)C1 1539203321 PKQGOTPSJRZZJG-XLIONFOSSA-N 478.640 2.011 30 10 JEEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CCc1cc(F)cc(F)c1)[C@@H]1CCS(=O)(=O)C1 1539207108 ZJHCUKKCNHRHIL-NFBKMPQASA-N 494.564 2.078 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@](C)(OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1539210896 FFLRTCMQJYRINZ-NZQKXSOJSA-N 453.568 2.259 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1cc(C)cc(OC)c1)[C@H]1CCS(=O)(=O)C1 1539216954 YFCHFCIXRMNFAV-FQEVSTJZSA-N 451.552 2.332 30 10 JEEE C#CCN(CCOC)c1nnc(Cc2ccc(Cl)cc2)n1C[C@H]1CCCS(=O)(=O)C1 1539417594 NGAWZZKJAFLGKU-GOSISDBHSA-N 450.992 2.433 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](C)Oc2ccc(F)cc2)CC1 1539476547 BAXHQCNLLXCZPT-QGZVFWFLSA-N 465.533 2.251 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2CCSC2(C)C)CC1 1539489814 OHIGWRYOIRGEHR-UFYCRDLUSA-N 475.659 2.500 30 10 JEEE C=C(C)Cn1c(COc2ccccc2F)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1539717715 URVAPUFGPPCOCF-UHFFFAOYSA-N 489.577 2.125 30 10 JEEE C=CC1CCN(c2nnc(C(=O)NC(CC)CC)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1539871043 HDTOSEBUQFVLCT-VZCXRCSSSA-N 455.563 2.125 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCC(=O)N2CCCCCC2)C1 1540883302 XIERYFZQVBWWEG-IBGZPJMESA-N 467.574 2.499 30 10 JEEE Cc1ccc(C(=O)NCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@](C)(C#N)C2)cc1 1542248004 FTVZRRWEESZUSF-WMZHIEFXSA-N 470.599 2.049 30 10 JEEE C#CCN(CC(=O)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1)C(=O)OC(C)(C)C 1542449385 JCSUHXIJKVGWPC-NRFANRHFSA-N 455.603 2.313 30 10 JEEE C[C@@H]1CN(CCCn2c(-c3ccc(C#N)cc3)nnc2N2CCC(CC(N)=O)CC2)CCCO1 1545093485 DLQXTCVNLGREPC-LJQANCHMSA-N 465.602 2.409 30 10 JEEE CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCCO2)CC1 1545712841 HSBFJSGUUMYVMM-KNQAVFIVSA-N 465.602 2.423 30 10 JEEE N#C[C@@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H]2CCCCS2(=O)=O)CCO1 1555994404 HWXYVABZWKLUKW-MSOLQXFVSA-N 465.963 2.207 30 10 JEEE CC(C)Oc1ccc([C@@H](CNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)N(C)C)cc1 1556842205 BOHKESSAPJTKCL-HXUWFJFHSA-N 458.584 2.322 30 10 JEEE N#Cc1ccc(S(=O)(=O)CCN2CCN(C(=O)c3cc(Cl)cc(Cl)c3)CC2)nc1 1559609425 FMZQCHDEGGGXBB-UHFFFAOYSA-N 453.351 2.492 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(Cc2ccc(F)cc2)CC1 1587639481 MAHNSIYSLSKVIA-YLJYHZDGSA-N 475.590 2.231 30 10 JEEE C#CCCCCn1c(N2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)nnc1[C@@]1(OCC)CCOC1 1587792851 BWEOLGPSFNFKLP-BKMJKUGQSA-N 486.661 2.257 30 10 JEEE C#CCN(c1nnc(CC)n1CCC(=O)Nc1cccc(Cl)c1C)[C@@H]1CCS(=O)(=O)C1 1588060049 YKOUUOMWSSKKBJ-MRXNPFEDSA-N 463.991 2.458 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CC2(S(C)(=O)=O)CC2)CC1 1588741492 CJTOCTKJXHHDBO-QGZVFWFLSA-N 478.018 2.404 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCOC[C@@H]2CCCO2)CC1 1588762893 OXWGHCQJAGGKOO-SFHVURJKSA-N 477.407 2.377 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2C[C@@]2(O)CCN(C)C2)CC1 1588768783 KZPNDINSQUWKEJ-OAQYLSRUSA-N 493.837 2.183 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CC[S@@](=O)CC)CC1 1588780045 FUBBKTKMOGKYAR-YTTGMZPUSA-N 459.616 2.265 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CC2(CCOCC)CCC2)CC1 1588924338 ZRZFDOAQNGGZDT-UHFFFAOYSA-N 453.591 2.241 30 10 JEEE C#CCSCCn1c(-c2ccccc2C)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1589043304 XHHCMJDYQCYXHI-IBGZPJMESA-N 452.628 2.409 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(Oc2cc(C)ccn2)CC1 1589070657 VTPXQPGBXZKBPP-GOSISDBHSA-N 475.640 2.298 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)c(OC)c2)n1CCCNS(=O)(=O)CC 1589185840 LJMVDPOBCDQPRI-JOCHJYFZSA-N 461.588 2.284 30 10 JEEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 1593690751 NZVNSDKUMVTVRU-ZJZNHJNOSA-N 474.650 2.395 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)Oc1ccc(F)cc1)C1CC1 1595055052 YBKSPHJFBPBYKR-JXFKEZNVSA-N 479.578 2.372 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CC(=O)N(C)C[C@@H]1C 1595490471 SPWUSFXRKGQFPG-SFHVURJKSA-N 461.570 2.322 30 10 JEEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C[C@H](C(F)(F)F)O1 1612909140 HQBKLYWIDPQZEZ-UWWQBHOKSA-N 498.531 2.254 30 10 JEEE CNS(=O)(=O)c1cccc(Cn2c(-c3cccc(C)n3)nnc2N2CC[C@](F)(C#N)C2)c1 1618837808 CHYGONRRPCOSLC-NRFANRHFSA-N 455.519 2.047 30 10 JEEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCC(NC(=O)c3ccccc3)CC2)CC1 1652546464 GKMFAPMGGQWNAQ-OAQYLSRUSA-N 451.596 2.351 30 10 JEEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN[C@@H](CN2CCOCC2)c2ccccc2)CC1 1653127190 BJTDJKLDOAOYBM-FCHUYYIVSA-N 453.612 2.120 30 10 JEEE CC#CCNC(=O)Nc1ccc(N2CCOCC2)c(S(=O)(=O)Nc2ccc(OC)cc2)c1 1667739756 DCNSGYGJCFJLSW-UHFFFAOYSA-N 458.540 2.477 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1689838364 YKEYPZINKSLJJC-IOMROCGXSA-N 452.584 2.479 30 10 JEEE C#CCCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1689881002 BRVQKOBHIJREHV-UHFFFAOYSA-N 463.542 2.353 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2cc(C)cc(OC)c2)CC1 1690132355 OSSCGAYZABEMEV-UHFFFAOYSA-N 464.595 2.390 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCC(=O)NC(C)C)CC1 1690137326 VAYBDVORLHFYAQ-UHFFFAOYSA-N 493.612 2.028 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CC(C)(C)C(=O)NCC)CC1 1690148711 QWCPQTIASVASME-UHFFFAOYSA-N 468.577 2.136 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CC2CCN(CCC)CC2)CC1 1690150399 GGCLWCXNADCJLH-UHFFFAOYSA-N 463.630 2.352 30 10 JEEE C=C(C)COCCn1c(Cc2ccc(F)cc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1690315615 HJXRKEHJZSQEDC-UHFFFAOYSA-N 465.595 2.461 30 10 JEEE C[C@H](CC#N)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCNC(=O)OC(C)(C)C 1692661560 IDKMCBVWBYGLDZ-OAHLLOKOSA-N 466.546 2.455 30 10 JEEE Cc1cc(C(F)(F)F)ccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1 1692957515 CRTKXAALZYFTGX-NVXWUHKLSA-N 469.489 2.285 30 10 JEEE CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2CCC(C)CC2)CC1 1696501614 FKOAGQLKHGGYRP-UHFFFAOYSA-N 485.658 2.457 30 10 JEEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CCc1nccc(C(F)(F)F)n1 1705580840 OYCIAACOLJBYBX-UHFFFAOYSA-N 457.416 2.130 30 10 JEEE C#CCN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H]1CCCN1S(C)(=O)=O 1705612866 QMSUZHIBVQPIJV-LJQANCHMSA-N 494.662 2.276 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(F)cc2Br)n1Cc1cn(C2COC2)nn1 1705624339 YMRDDEHCYSOVMU-UHFFFAOYSA-N 490.337 2.144 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCCO[C@H]2C(C)(C)C)CC1 1705644550 UNUXONIOYDHERS-VQTJNVASSA-N 472.634 2.223 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@]2(O)CCO[C@@H]2C)CC1 1705645119 LGDCWHGUKHZCIN-YYULODDRSA-N 485.560 2.063 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc([C@H](C)O)cc2)CC1 1705647547 GPBQEZFFTDPAKK-AVRDEDQJSA-N 451.571 2.240 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCN(C)[C@@H](C)CC)CC1 1705648760 YIIBFPFXSJYCSY-WMZHIEFXSA-N 480.613 2.487 30 10 JEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1705652695 JLRWGANDGWWOKT-UHFFFAOYSA-N 469.571 2.115 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1705696077 LJRDEAJLUUSSII-SCTDSRPQSA-N 481.022 2.493 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(CCOC)CC1 1705708924 ITLONGZZIMOHBH-GHTZIAJQSA-N 474.631 2.019 30 10 JEEE C=C(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1705722617 BQCDBHPTNGUHDC-IBGZPJMESA-N 484.601 2.290 30 10 JEEE C=C(Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1)c1ccccc1 1705743978 MZPHIWFXUNDPSG-NHCUHLMSSA-N 450.543 2.213 30 10 JEEE C=CCCCn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1705817485 LIYVHWAJOAKVSZ-RTBURBONSA-N 453.609 2.117 30 10 JEEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1705829628 XZVBCGQSXHMHJI-FGTMMUONSA-N 460.579 2.125 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 1705936736 XHQDBMBQCVRAPY-GOSISDBHSA-N 491.614 2.073 30 10 JEEE CCS(=O)(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC2(O)CCC2)CC1 1710888866 GSKRFSURNVSTQC-UHFFFAOYSA-N 458.588 2.030 30 10 JEEE CNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nccc(C(F)F)n2)CC1 1711409852 DEQCRIMMEFKFFH-UHFFFAOYSA-N 453.457 2.054 30 10 JEEE COCCN1C[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(CC(=O)N(C)C)CC2)CC1=O 1712468269 ADIBUSZSTUNVTK-NRFANRHFSA-N 493.612 2.006 30 10 JEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CC)Cc1ccc(C(=O)N(C)C)cc1 1722333089 ROOQVXLUCYDVMG-HXUWFJFHSA-N 457.600 2.322 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCO[C@H]1C(=C)C)[C@H]1CCS(=O)(=O)C1 1722370252 BBCXARJFWNSOPW-HFMPRLQTSA-N 495.605 2.337 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC1(COC)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1722371837 MCKUVRPLYUFDFZ-OAQYLSRUSA-N 488.658 2.363 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCCN2CCC[C@@H](C)C2)CC1 1722432144 UDNVEQDPHMBSAF-OAQYLSRUSA-N 464.618 2.193 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1c(C)nn(C)c1C 1722676963 PVDLZSZHDVCLAF-SFHVURJKSA-N 458.588 2.407 30 10 JEEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2ncc(-c3ccccc3)o2)CC1 1722682822 LMEFVSFJEFMHQU-KRWDZBQOSA-N 471.587 2.052 30 10 JEEE C=CCNC(=O)Cn1c(N2C[C@@H](C)O[C@H](CC)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1722704137 ONMWVLZGTACXBO-ZJPYXAASSA-N 462.595 2.355 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC2(C(=O)N(C)C)CCCC2)C1 1722711157 SEPGARDIOUPGTC-YADARESESA-N 461.607 2.360 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1722724306 SRMIGRQSHJYHMX-TXPKVOOTSA-N 494.017 2.387 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1722727053 FRTBDDWDYYJEET-KRWDZBQOSA-N 485.651 2.197 30 10 JEEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1722732159 HOERKEPQJNUYOI-SJORKVTESA-N 456.682 2.118 30 10 JEEE CC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](N2CCOCC2)C(F)(F)F)C1 1722813960 HQZSWJAJMJQWED-VQTJNVASSA-N 491.518 2.185 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1CC1(N(C)C)CCCC1 1723909334 HUPKLNMXVOFMPY-QGZVFWFLSA-N 459.620 2.271 30 10 JEEE CCN(C)C(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@@](C)(C#N)C1 1728255775 HAHYWTALMLTWPB-QFIPXVFZSA-N 472.619 2.155 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2CCN2CCOC[C@H]2C)c1 1740562454 NICIAQJCPGOMSA-LJQANCHMSA-N 459.554 2.117 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2CCC(=O)N2CCCCC2)c1 1740564110 AZFAOTLQYDRWDT-FQEVSTJZSA-N 464.570 2.241 30 10 JEEE C#CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1740576426 XAWMJKSLXNJHTM-PZJWPPBQSA-N 453.591 2.496 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN1CCCC(C)(C)C1 1740637681 AVAHQWVTIDZOML-UHFFFAOYSA-N 457.582 2.387 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CCOc2ccccc2)nnc1N1CCN(C(=O)COC)CC1 1740763346 KATDISPRRIJJMZ-RDPSFJRHSA-N 469.586 2.176 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1740767701 QERBZQWVALGXSS-GCJKJVERSA-N 493.605 2.449 30 10 JEEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1740843048 WHKZNOFGDNGWEW-OAQYLSRUSA-N 479.629 2.465 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1c(F)cccc1F 1740932786 VROGRKLOVFPWMF-LJQANCHMSA-N 467.542 2.310 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCN(c2nccnc2C)CC1 1740963178 BWWHTUPGFMJXMH-UHFFFAOYSA-N 476.585 2.201 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(N(C)C)cc2C)C1 1740980516 LEEHYHAXZACUFK-CTNGQTDRSA-N 459.616 2.384 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1740987394 FZRAXSKZDAYQMY-VQTJNVASSA-N 457.600 2.165 30 10 JEEE C=CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1740999915 HZOOPVLQMAORAB-MRXNPFEDSA-N 488.639 2.217 30 10 JEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](c2ccccc2)O[C@H](C)C1 1748717691 GEJULENBIGCUMC-FCEUIQTBSA-N 487.626 2.381 30 10 JEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](OC(C)(C)C)C1 1748719165 VSRSXFRTCJHCFT-OALUTQOASA-N 467.636 2.198 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1CCCCN1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1748812332 SSAVSJFUQUIKKU-LEWJYISDSA-N 472.659 2.422 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1CC1(O)CCN(C(C)C)CC1 1748965616 TXIMDRYXFXFQQH-JOCHJYFZSA-N 469.586 2.112 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCN2c3ccccc3C[C@H]2C)CC1 1748971448 PVUROJFYOXCETA-HXUWFJFHSA-N 463.630 2.403 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCCO3)n2Cc2c(C)nn(C)c2C)n1 1748971693 YYMKUPLIWNRWDM-JOCHJYFZSA-N 466.590 2.401 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCN(CC(F)F)CC1 1749655771 RUYDJZUDMWVCKN-UHFFFAOYSA-N 456.501 2.025 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@H](OCCC)CC1 1749730735 OIGFCHHBPCAMAU-QGZVFWFLSA-N 479.603 2.392 30 10 JEEE C=CCSCCn1c(-c2ccccc2OC)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1749751083 KLAAJKUIEKSSLZ-UHFFFAOYSA-N 453.572 2.460 30 10 JEEE CC(=O)N1CCC[C@H](Cn2c(-c3sc(N4CCOCC4)nc3C)nnc2N(C)C[C@H](C)C#N)C1 1749816595 GCNVTKDYNUQNDC-APWZRJJASA-N 486.646 2.401 30 10 JEEE CC(=O)N1CCC[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(CC(C)C)C(=O)C2)C1 1749825953 BRQHOTLGGRLUQY-QFIPXVFZSA-N 493.612 2.292 30 10 JEEE C#CCN(c1nnc(CCCc2ccccc2)n1Cc1cnn(C)c1C)[C@@H]1CCS(=O)(=O)C1 1760191320 FMKPMRXYEBMNMO-JOCHJYFZSA-N 466.611 2.170 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCOC2)n1CCC(=O)N1CCOCC1 1760242214 WLOHJJJEYCRYEI-FQEVSTJZSA-N 455.534 2.200 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C)n2C[C@H](c2ccccc2OC)N2CCCC2)CC1 1760266415 YAYNIAHJXSGCKX-JOCHJYFZSA-N 450.587 2.398 30 10 JEEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1760284220 IYJPQGXLWNVMCX-UHFFFAOYSA-N 478.626 2.010 30 10 JEEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1760287325 OKFACOHARXTICA-UNMCSNQZSA-N 487.674 2.041 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(C)nc(N2CCCC2)c1 1760289255 NJAOWVSDOWKQRM-WZONZLPQSA-N 471.631 2.232 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(NC(=O)OC)c1 1760295102 NCIUXFGUAAEPOR-HTAPYJJXSA-N 457.556 2.399 30 10 JEEE C=CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1ccc(C)n(C)c1=O 1760504065 UQXZNRURIDRUSA-UHFFFAOYSA-N 461.526 2.288 30 10 JEEE C=CCNC(=O)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCS[C@H](CC)C1 1760526775 HFWLYISUOOLFOA-JOCHJYFZSA-N 483.686 2.277 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1760551498 HJHJLMDDQWZFCD-UHFFFAOYSA-N 476.603 2.175 30 10 JEEE CC[C@@H](C)[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1763399907 BHDFGNHEMJWOHJ-IQGLISFBSA-N 465.602 2.014 30 10 JEEE CCO[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCOc2ncccc2Cl)CCOC1 1767438163 DGTXRTYHTZQSBX-WOJBJXKFSA-N 450.902 2.500 30 10 JEEE COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1Cc1cc2c(cc1OC)C[C@@H](C)O2 1771109049 BHRCWUQYHMYCQJ-QGZVFWFLSA-N 468.558 2.261 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)OCc2ccccc2)CC1 1772567179 SLLIEWVJUCVUMV-FQEVSTJZSA-N 468.558 2.281 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3ccccc3n2)nnc1N1CCN(CCOC)[C@H](C)C1 1772660485 JZUKZOSWPAHODA-LJQANCHMSA-N 484.626 2.251 30 10 JEEE CN1CCC[C@@H]1C(=O)N1CCN(c2ccc(C(=O)Nc3ccc(C#N)cc3)cc2[N+](=O)[O-])CC1 1860879082 QSASZHOKYSXRIX-OAQYLSRUSA-N 462.510 2.462 30 10 JEEE C=CCN(CC=C)C(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1c(OC)ccc2ccccc12 1865729472 PYBXFUPRUDRORG-FQEVSTJZSA-N 488.544 2.141 30 10 JEEE CC(=O)NCCn1cc(OCC(=O)NC(C)C)c(=O)cc1CSc1nc(C)c(C)c(C)c1C#N 1870285755 LJDCLLQQSDCDKA-UHFFFAOYSA-N 485.610 2.372 30 10 JEEE COC(=O)CSc1nnc([C@H]2CC(=O)N(Cc3ccccc3)C2)n1/N=C/c1ccncc1 1874211865 XKYSXGYFMSFCSS-AMAFCZHPSA-N 450.524 2.337 30 10 JEEE COc1cc(/C=N/n2c(Cc3ccccc3[N+](=O)[O-])nnc2SCC(N)=O)cc(OC)c1OC 1874294963 CINSBJSCTVMEFK-FOKLQQMPSA-N 486.510 2.263 30 10 JEEE C=CCOc1ccccc1OCc1nnc(SCC(=O)Nc2nc(C)c(C(=O)OC)s2)n1N 1874554504 NASQGYUXQLYXET-UHFFFAOYSA-N 490.567 2.418 30 10 JEEE CC(C)(C)OC(=O)N1CC2(CCN2S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2255752400 JCGZNKODKJOSCN-UHFFFAOYSA-N 470.422 2.431 30 10 JEEE CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1ccsc1B1OC(C)(C)C(C)(C)O1 2255802177 VPVMRKIAEWXJEK-CABCVRRESA-N 452.382 2.411 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@H]1CNC(=O)c1ccsc1B1OC(C)(C)C(C)(C)O1 2255807740 ADQYUXZVIPMHPT-CQSZACIVSA-N 452.382 2.413 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NC[C@]23CN(C(=O)OC(C)(C)C)C[C@@H]2CCO3)C1 2266521162 AMHGYUWDFFVGRF-OJOCWMRFSA-N 463.575 2.435 30 10 JEEE CC1(C)OB(c2cccnc2C(=O)NC[C@@H]2CN(C(=O)OCc3ccccc3)CCO2)OC1(C)C 2267267686 LNAPJUSKBFQVIT-LJQANCHMSA-N 481.358 2.148 30 10 JEEE CC[C@](C)(CNC(=O)OC(C)(C)C)N(C)C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2267509817 AYWZIZMZTFSXKF-JOCHJYFZSA-N 450.389 2.485 30 10 JEEE CC(C)[C@@H](CCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1)NC(=O)OC(C)(C)C 2267549777 PRRDUZIWYSJTEB-OAHLLOKOSA-N 450.389 2.389 30 10 JEEE Cc1sc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)c(C)c1B1OC(C)(C)C(C)(C)O1 2267576029 KSQVBDDPHDEKMQ-GJZGRUSLSA-N 466.409 2.374 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)Nc1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2268636954 IXNJFJDBVTXAIN-PBHICJAKSA-N 450.316 2.434 30 10 JEEE C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2269692904 MXUDGARFKIGNIF-GUYCJALGSA-N 452.332 2.015 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N(CC(N)=O)C2CCN(C(=O)OC(C)(C)C)CC2)C1 2281224574 ZNWZRSJJGZQWGX-UHFFFAOYSA-N 478.590 2.007 30 10 JEEE CC(C)(C)OC(=O)NCCCN(CCO)C(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1F 2281779093 CCYRIYPZDUZLBZ-UHFFFAOYSA-N 466.359 2.474 30 10 JEEE Cn1ncc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]3CC[C@@H]32)c1B1OC(C)(C)C(C)(C)O1 2281810015 YUYWBBLBKBASSE-OIISXLGYSA-N 460.384 2.237 30 10 JEEE Cc1cnc(C(=O)N2C[C@H](NC(=O)C(F)(F)F)CC[C@@H]2C)c(B2OC(C)(C)C(C)(C)O2)c1 2281951664 MDEPQOVMTZBXCZ-UONOGXRCSA-N 455.286 2.361 30 10 JEEE Cc1cc(C(=O)N2CCO[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)oc1B1OC(C)(C)C(C)(C)O1 2281960934 GQTDFKUYDSVIDN-NVXWUHKLSA-N 462.352 2.348 30 10 JEEE CCc1nn(C)c(C(=O)N[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2281978819 IZJPPWNWWMJHEQ-QHCPKHFHSA-N 462.400 2.411 30 10 JEEE Cc1nn(C)c(C(=O)NC[C@@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)c1B1OC(C)(C)C(C)(C)O1 2281980199 AIKCTFIHDBDIPV-NPMXOYFQSA-N 460.384 2.015 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CCC1(F)F 2281985180 IPMRPLXLAZNQIV-CQSZACIVSA-N 470.326 2.474 30 10 JEEE Cc1ccc(S(=O)(=O)NCCOCCNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2282309925 MXFWMCIZBSSRJH-UHFFFAOYSA-N 484.424 2.114 30 10 JEEE C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CN(S(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282350946 UVJPFZMIYGSYEN-RDJZCZTQSA-N 481.424 2.305 30 10 JEEE Cc1nc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@]2(C)CO)c(B2OC(C)(C)C(C)(C)O2)s1 2282521901 CQQVQLWECNPBSG-JOCHJYFZSA-N 481.424 2.195 30 10 JEEE Cc1ccnc(C(=O)N2CC[C@H](C)[C@H](NC(=O)C(F)(F)F)C2)c1B1OC(C)(C)C(C)(C)O1 2282566667 BXAVBHSSSPCPAN-GXTWGEPZSA-N 455.286 2.218 30 10 JEEE Cc1cc(C(=O)N2CC[C@@H](CO)[C@H](NC(=O)OC(C)(C)C)C2)oc1B1OC(C)(C)C(C)(C)O1 2282578924 XXKLABQZJYNXTM-JKSUJKDBSA-N 464.368 2.235 30 10 JEEE Cc1c(C(=O)N(CCNC(=O)OC(C)(C)C)CC2CC2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282593085 LWNDMTOLNAJQHG-UHFFFAOYSA-N 462.400 2.405 30 10 JEEE COc1ccc(S(=O)(=O)NCC2(NC(=O)OC(C)(C)C)CC2)cc1B1OC(C)(C)C(C)(C)O1 2282879837 ZWWFHKGKZRARFD-UHFFFAOYSA-N 482.408 2.330 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@H](NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C12CCC2 2283067483 DHBYRTHJGKSUJP-GJZGRUSLSA-N 458.368 2.342 30 10 JEEE CN(Cc1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(=O)CN1CC(CNC(=O)OC(C)(C)C)C1 2284061426 DURUUUDUZHXRLR-UHFFFAOYSA-N 479.452 2.462 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@@]2(C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C1 2284062738 IFHMEFIBCBOXOO-FPTDNZKUSA-N 479.408 2.085 30 10 JEEE COc1ccc(C(=O)N[C@@H](COCc2ccccc2)C(=O)O)c(B2OC(C)(C)C(C)(C)O2)c1 2284473165 RQPLHCDCIUTQET-FQEVSTJZSA-N 455.316 2.394 30 10 JEEE CCOC(=O)c1[nH]c(C)c(C(O)=C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cccnc2)c1C 2296931395 KBPINALLIYUHDJ-QFIPXVFZSA-N 496.564 2.347 30 10 JEEE C=CCC1(N[C@@]2(C(=O)O)COCCN(C(=O)OC(C)(C)C)C2)CN(C(=O)OC(C)(C)C)C1 2326616878 POKMGPHIBPCCLO-JOCHJYFZSA-N 455.552 2.232 30 10 JEEE COCC[C@@H](CN=c1ccc(B2OC(C)(C)C(C)(C)O2)c(OC)[nH]1)NC(=O)OC(C)(C)C 2339787402 ZREPRHWUJBZUOP-HNNXBMFYSA-N 451.373 2.153 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@]23CC[C@@H]2CN(C(=O)OC(C)(C)C)C3)n1C 2362483079 LWEMCLYYCDDABK-IQMFZBJNSA-N 460.384 2.157 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)CNc2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)CC1 2371996267 LXEQALJNBKDEQA-UHFFFAOYSA-N 464.347 2.011 30 10 JEEE C=CCn1c(SCC(=O)Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)nnc1C(C)(C)C 20839547 DKMKEJVIRGRKOC-UHFFFAOYSA-N 492.671 2.429 30 10 JEEE COC(=O)c1ccc(/C=N/Nc2nnc(SCC(=O)Nc3ccc(F)cc3C)n2N)cc1 20913721 AXAQDEYXPABENK-AUEPDCJTSA-N 457.491 2.403 30 10 JEEE C=CCn1c(=O)c2ccc(C(=O)N[C@@H](C)CC)cc2n2c(=O)n(CC(=O)Nc3ccccc3C)nc12 64581539 AJVVCHFBLFWRHH-KRWDZBQOSA-N 488.548 2.472 30 10 JEEE Cn1c(=O)n(Cc2ccccc2)c(=O)c2c1[nH]/c(=N\N=Cc1ccccn1)n2Cc1ccccc1 254835906 AFSGXFCLYIZBNL-UHFFFAOYSA-N 465.517 2.256 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)N(Cc3ccc(OC)cc3)[C@@H]3CCS(=O)(=O)C3)cc2C1=O 491094390 QZOFREQGNZDXLA-GOSISDBHSA-N 468.531 2.307 30 10 JEEE Cc1cc(NS(=O)(=O)CCN2C(=O)c3ccccc3C2=O)cc(B2OC(C)(C)C(C)(C)O2)c1 704379882 FRRADKNBXOJRHF-UHFFFAOYSA-N 470.356 2.332 30 10 JEEE C=CCn1c(=C(C#N)C(=O)c2ccc3c(c2)OCO3)sc(=Cc2cnn(Cc3ccccc3)c2)c1=O 917760873 COABBTSUHSSHLQ-UHFFFAOYSA-N 496.548 2.455 30 10 JEEE COC(=O)c1ccc(C=NNc2nnc(SCCC(=O)Nc3ccc4c(c3)OCO4)n2N)cc1 1083945492 BAHLEVRMVBJRFF-UHFFFAOYSA-N 483.510 2.074 30 10 JEEE C#CCN(C(=O)CNC(=O)OCC1c2ccccc2-c2ccccc21)[C@H]1CCS(=O)(=O)C1 1142046911 QMFSWOSEHXTXLH-KRWDZBQOSA-N 452.532 2.174 30 10 JEEE C#CCNC(=O)C1CCN(C(=O)Nc2nccc([C@@H]3CCN(C(=O)OC(C)(C)C)C3)n2)CC1 1220440372 XVXHCUMJIGVRSS-QGZVFWFLSA-N 456.547 2.194 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H]1CCCS1)[C@H]1CCS(=O)(=O)C1 1286389249 ZUKYBUIUCDGVOE-ZWKOTPCHSA-N 476.624 2.485 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccccc2Br)n1CC1(S(C)(=O)=O)CC1 1286463707 KUNGOBXOVMWHPK-UHFFFAOYSA-N 467.389 2.371 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C3(c4ccccc4)CCC3)n2CCS(=O)(=O)CC=C)CC1 1286488631 PHLIYAFFMYUPFF-UHFFFAOYSA-N 495.649 2.315 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2CCC(=O)N[C@H](C)CC)CC1 1286491535 WGWDGLXHHQKGQL-GOSISDBHSA-N 468.577 2.279 30 10 JEEE C#CCSCCn1c(CCCc2ccccc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1286508392 LPIHOMAKRIUPMK-UHFFFAOYSA-N 482.654 2.394 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1286557986 ZFVRZWBSGSCHKH-FTRWYGJKSA-N 486.598 2.444 30 10 JEEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1286605943 BJVYKJRWJCSFOX-KRWDZBQOSA-N 458.563 2.340 30 10 JEEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1286611853 PEAMIBKJKKAYPR-IBGZPJMESA-N 454.579 2.005 30 10 JEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(N3CCC(CO)CC3)cc2)CC1 1286637850 NVBZAUQNARTLOW-LJQANCHMSA-N 488.658 2.302 30 10 JEEE C=CCCCCn1c(N2CCN(S(C)(=O)=O)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1286689987 IQUYTENURIIKQP-HDICACEKSA-N 482.651 2.487 30 10 JEEE C=CCNC(=O)Cn1c(N2CC[C@@H](c3cnn(C)c3)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1286793113 SDYMCDWFBAVKHO-LMMKCTJWSA-N 484.605 2.078 30 10 JEEE C=CCNC(=O)Cn1c(N2CCN(c3cccc(C)c3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1286793900 PLXXOKJDVJEECU-VWLOTQADSA-N 468.602 2.256 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCC(O)(C(F)(F)F)CC1 1286822642 MKALFCFERUCKIS-UHFFFAOYSA-N 498.531 2.011 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1286822969 JOAPBYZPLTXNJO-IBGZPJMESA-N 491.589 2.188 30 10 JEEE CC(C)CCN(C)c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CCS(=O)(=O)CC1 1287587486 DEWPUSZDGFVCES-UHFFFAOYSA-N 461.588 2.151 30 10 JEEE CCNC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CC[C@@H](F)C2)CC1 1296296924 BZSONCBWKKTQMZ-VQTJNVASSA-N 469.565 2.125 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CC3)n2C[C@@H]2CCCCS2(=O)=O)c1 1300334752 SCWXACUQQPOHBI-FQEVSTJZSA-N 455.584 2.254 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2CCCOC2CCOCC2)c1 1300334784 TZPICBKUQORIIR-HXUWFJFHSA-N 467.570 2.424 30 10 JEEE C#CCCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@@](C)(C(=O)NC)C1 1300341750 KSROKKGPZGOKCS-HSZRJFAPSA-N 471.631 2.313 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC(=O)NCC=C)[C@@H]1CCS(=O)(=O)C1 1300483216 IUAQYXLKGBCSJA-SJLPKXTDSA-N 492.001 2.000 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CC(O)(CC)CC)[C@H]1CCS(=O)(=O)C1 1300489242 KGVMFORJDFEMSH-INIZCTEOSA-N 451.980 2.171 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CC1(CC)CCOCC1)[C@H]1CCS(=O)(=O)C1 1300496991 WWBBZRUAMOSLCP-OALUTQOASA-N 450.605 2.006 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCCCO)[C@H]1CCS(=O)(=O)C1 1300504767 RSDRTXZEQSUDIN-OALUTQOASA-N 495.646 2.139 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CC[C@]2(CCOC2)O1 1300578628 NQPNECNLYZTTAC-ISJBWFOZSA-N 499.612 2.388 30 10 JEEE C#CCN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1CCNS(=O)(=O)c1ccc(C)s1 1300620336 AKCVNETWZSZYSP-UHFFFAOYSA-N 497.606 2.402 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccn2C)n1C[C@@H]1C[C@@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1300663958 JRDLDYCTAPRDQK-SVFBPWRDSA-N 484.601 2.394 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CC(F)(F)CO2)CC1 1300718214 FVOXKKFULRTEJE-GOSISDBHSA-N 474.468 2.243 30 10 JEEE C=C(Br)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(CCOC)C(=O)C1 1300823361 DWERKIKYTDLMEG-UHFFFAOYSA-N 491.390 2.351 30 10 JEEE C=C(Br)Cn1c(-c2ccccn2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1300837047 FKUXFICYSNRBQP-UHFFFAOYSA-N 469.347 2.069 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1301484299 DNIZLDORNVXYBD-UHFFFAOYSA-N 473.537 2.291 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@H](C(=O)OC)C1 1301501522 YSWXFMAEKMZVJS-MSOLQXFVSA-N 490.605 2.084 30 10 JEEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1301509667 KTLCBWNQYXOTJM-QFIPXVFZSA-N 481.645 2.072 30 10 JEEE C=CCOc1ccc(Cn2c(Cc3ccccn3)nnc2N2C[C@@H](O)[C@H](CC(=O)OC)C2)cc1 1301527340 XNIJKZDLKXPCNQ-DENIHFKCSA-N 463.538 2.237 30 10 JEEE C=C(Cl)C[C@@H](NC(=O)c1cc(S(=O)(=O)NC)ccc1Br)C(=O)OCC 1302418127 DLKGOBHZXNQOMO-CYBMUJFWSA-N 453.742 2.161 30 10 JEEE CN(Cc1ccc(C#N)cc1)c1nnc(CNC(=O)c2cccs2)n1CC1(S(C)(=O)=O)CC1 1314725977 BOTJIFQGSKEOKS-UHFFFAOYSA-N 484.607 2.355 30 10 JEEE COCCC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1315961138 CXRASYVCOCAEOW-IBGZPJMESA-N 467.574 2.347 30 10 JEEE C#CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1358922658 MJNZSUPBOHWVSO-UHFFFAOYSA-N 466.586 2.120 30 10 JEEE C#CCN(c1nnc(CCCc2ccccc2)n1Cc1cc(C)on1)[C@H]1CCS(=O)(=O)C1 1358966448 PFMSQIQOXHQYMQ-NRFANRHFSA-N 453.568 2.425 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC(=O)NCCC 1358991735 MQXWCQAYVZLPKJ-UHFFFAOYSA-N 459.554 2.225 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(C)C)n1C[C@@H](C)N1CCN(CC)CC1 1359015139 JPAUWTAEGOTWAB-HXUWFJFHSA-N 469.609 2.221 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2c(C)nn(C)c2C)CC1 1359040362 QVPNVBFZOKBVIJ-BGYRXZFFSA-N 482.633 2.203 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2cccc(F)c2)C1 1359056653 JBHLOLUIZUMJOR-MJGOQNOKSA-N 464.588 2.264 30 10 JEEE C=C(C)COCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCCN(CC)C(=O)C1 1359131200 LISMXWNKIWEQEO-UHFFFAOYSA-N 479.585 2.326 30 10 JEEE C=C(C)COCCn1c(N2CCO[C@@](C)(c3cnn(C)c3)C2)nnc1[C@]1(OC(C)C)CCOC1 1359137366 NKURAEHMWPBAMG-RPWUZVMVSA-N 474.606 2.397 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](OC)C(C)(C)C)CC1 1359179450 VQPPIQUTWUXICW-QZTJIDSGSA-N 455.625 2.075 30 10 JEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2cccs2)CC1 1359228102 UGLRKKDIZJXDPX-SFHVURJKSA-N 465.645 2.157 30 10 JEEE C=CCn1c(COc2ccc(Cl)cc2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1359289387 BKYZQUSZLQUUBD-UHFFFAOYSA-N 478.962 2.337 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](CNC(=O)Nc2ccc(C)cc2)C1 1359301042 QFVPBWQGLCBWST-VQTJNVASSA-N 481.601 2.431 30 10 JEEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)CC[C@H]1C 1359334852 SIKJLJZEKJTKCR-HZPDHXFCSA-N 451.618 2.495 30 10 JEEE C=CCn1c(S)nnc1-c1sc(NC(=O)c2ccc(S(N)(=O)=O)cc2F)nc1C 1464910598 PFKZKLBVZOHVTL-UHFFFAOYSA-N 454.534 2.224 30 10 JEEE CC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCO2)CCN1CCOC 1499780490 BFULIZZPTKHRCT-RBBKRZOGSA-N 454.575 2.455 30 10 JEEE CCN(C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(C)(=O)=O)C1)CC(F)(F)F 1502148539 FACMMJCTRJXNJF-KRWDZBQOSA-N 499.563 2.076 30 10 JEEE CCn1nc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H](CC(C)C)N(C)C)c2ccccc2c1=O 1502366363 FUYSOVRGNHWBIS-MOPGFXCFSA-N 478.601 2.380 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H]1CCS(=O)(=O)C1 1507533161 PWHDHYWDODKFTJ-IAGOWNOFSA-N 465.620 2.285 30 10 JEEE C#CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(CNC(C)=O)CC1 1507560270 GFSSYDZRRYTXFZ-UHFFFAOYSA-N 471.631 2.394 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCC1CCC(OC)CC1)[C@H]1CCS(=O)(=O)C1 1507636578 AWXLLQWXOOIMGX-ZUPWUQBJSA-N 450.605 2.352 30 10 JEEE C#CCN(c1nnc(COCC)n1CCc1c[nH]c2cc(F)ccc12)[C@@H]1CCS(=O)(=O)C1 1507639258 XDLHMCIHTDACCQ-GOSISDBHSA-N 459.547 2.304 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1507661587 ZZBOAXDJALZFHZ-LEAFIULHSA-N 491.636 2.397 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2C[C@H](SC)C(C)(C)C)CC1 1507721470 PGAYREGWNCEYGW-FQEVSTJZSA-N 465.631 2.454 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@@H](c2ccco2)N(CC)CC)CC1 1507738316 NAUYKURMGWVZOQ-NRFANRHFSA-N 476.585 2.377 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1507844041 BDJCUKBFUFGKBP-GOSISDBHSA-N 457.535 2.395 30 10 JEEE C=CCCCCn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1507943309 XFUUMOQHBQEMCI-UHFFFAOYSA-N 458.592 2.463 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cccc(CN(C)C)c2)C1 1508122122 CITOZMMNONBKTI-RTWAWAEBSA-N 459.616 2.071 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCCC[C@H](C)C1 1508135135 KMFHVWUFCHKKIZ-SFHVURJKSA-N 495.671 2.423 30 10 JEEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1508148591 VFCVISXQFGJOAI-SFHVURJKSA-N 457.604 2.003 30 10 JEEE CCOC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CC(=O)N(CCOC)C2)C1 1516065366 FXQCYCYJBDPQQI-PZJWPPBQSA-N 495.584 2.027 30 10 JEEE CCS(=O)(=O)N1CCC([C@@H](C)N(C)C(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)CC1 1527451893 AWYSKHVATNQWOR-APWZRJJASA-N 450.580 2.432 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1ccc(F)cc1F)[C@@H]1CCS(=O)(=O)C1 1539222209 UNNLFBMMVSQIBS-SJLPKXTDSA-N 450.511 2.125 30 10 JEEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccnc(OC2CCOCC2)c1 1539344476 ASMHWUZATFJLQE-DEOSSOPVSA-N 455.559 2.391 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@](C)(O)c2ccco2)CC1 1539484120 CVFACDZHXPTZEG-HSZRJFAPSA-N 468.583 2.100 30 10 JEEE C=CCCOCCn1c(-c2cc(Br)cn2C)nnc1N1CCc2nn(C)c(=O)cc2C1 1540020453 JRDRHVOUZCEFLP-UHFFFAOYSA-N 488.390 2.295 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1540875038 ZVAIVTNQFJHJJK-GOSISDBHSA-N 480.573 2.042 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCC(C(=O)N2CCCC2)CC1 1540875694 VBMVWZIFCGLUFR-UHFFFAOYSA-N 482.585 2.007 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(OCc2ccccc2F)CC1 1540902838 RTZVSCQKZYRQKE-HXUWFJFHSA-N 491.589 2.155 30 10 JEEE CC(C)CCN(CCC#N)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@]1(O)CCN(C)C1 1541513721 DDZWQDKLNIUXMX-RUZDIDTESA-N 481.649 2.285 30 10 JEEE CC(C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCn2cc(Cl)cn2)CC1 1541703914 CMPQBWIDMKINTF-UHFFFAOYSA-N 481.992 2.013 30 10 JEEE CCCCN1CCCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CC#N 1547041517 AYEZLMYVOLRSFK-XUVXKRRUSA-N 481.667 2.004 30 10 JEEE COCCNC(=O)[C@@H]1CN(C(=O)CCOC)CC12CCN(c1ccc(C#N)c(C(F)(F)F)c1)CC2 1548376226 UIPALGXSCVKSGD-FQEVSTJZSA-N 496.530 2.421 30 10 JEEE C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@H]1CCc2ccccc21)[C@H]1CCS(=O)(=O)C1 1588035277 QLAZSCKFZXCIMK-TYPHKJRUSA-N 472.611 2.359 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1Cc1nc(C)cs1)[C@@H]1CCS(=O)(=O)C1 1588039837 FUDIKCCCTWIBDO-GOSISDBHSA-N 452.565 2.257 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@@]1(N(C)C)CCSC1)[C@H]1CCS(=O)(=O)C1 1588045971 UYLWASFGUPDWEF-CVDCTZTESA-N 473.668 2.318 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCCN(C(C)C)C(C)C)[C@H]1CCS(=O)(=O)C1 1588055028 RRSULQULRLUVPT-SFTDATJTSA-N 465.664 2.308 30 10 JEEE C#CCN(c1nnc(CC)n1CCc1ccn(-c2ccc(F)cc2)n1)[C@H]1CCS(=O)(=O)C1 1588059452 OJEFWGBEOLEZID-FQEVSTJZSA-N 456.547 2.035 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1cccc(NC(=O)OC)c1)[C@H]1CCS(=O)(=O)C1 1588064355 GUPFFWQENWSQQJ-NRFANRHFSA-N 494.577 2.117 30 10 JEEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1CC1(N2CCOCC2)CCCCC1 1588088985 DVKCPFFZGZXBOM-VWLOTQADSA-N 455.603 2.038 30 10 JEEE C#CCSCCn1c([C@H](C)OCCOC)nnc1N1CCC2(CC1)OC(=O)NC21CCC1 1588985378 RJJTVQXJOYJOMS-KRWDZBQOSA-N 463.604 2.370 30 10 JEEE C=C(Cl)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN(CC(=O)N(C)C)CC1 1593878007 BEYJCOCIXHJDRU-UHFFFAOYSA-N 496.056 2.355 30 10 JEEE C=CC[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cnccn1)c1ccccc1 1594543713 DPWBWCBFSLWRLU-IFMALSPDSA-N 497.625 2.397 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCNC(=O)[C@@H]1CC 1595765996 KJIIWNYOZPQLBV-RDJZCZTQSA-N 477.656 2.447 30 10 JEEE C=CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@@H](C)C(=O)NC 1595883908 DDBZFYLOCWPVTG-SJORKVTESA-N 482.651 2.324 30 10 JEEE CC(=O)NC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2CC(F)(F)C2)CCO1 1596672566 ARHLFMJFBHRJFB-LJQANCHMSA-N 460.485 2.115 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)COc2cccc(Br)c2C#N)[C@H](CO)C1 1607851661 HBCBCVLSDZBIFV-ZDUSSCGKSA-N 454.321 2.140 30 10 JEEE CCOCc1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@]1(N(C)C)CCSC1 1616915872 GNRZUKAYHWZYSF-HSZRJFAPSA-N 455.632 2.450 30 10 JEEE CCS(=O)(=O)N(C)CCCn1c(-c2cccc(C#N)c2)nnc1N(C)C[C@H]1CCCOC1 1617346526 IDWJHLYGINTEPF-LJQANCHMSA-N 460.604 2.351 30 10 JEEE CNC(=O)[C@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCCCC2)C1 1618594942 BGLMLHQYFXQDPC-HSZRJFAPSA-N 452.559 2.386 30 10 JEEE C=C(C)[C@H](NC(=O)CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1 1625554200 ZQHYBKFZOLNKBM-IBGZPJMESA-N 458.508 2.080 30 10 JEEE C#CCC1(O)CCN(C(=O)CN2CCN(Cc3ccc(Br)cc3F)CC2)CC1 1633141102 RBLMWRPBEUZYLP-UHFFFAOYSA-N 452.368 2.083 30 10 JEEE N#Cc1ccc(OCC(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)cc1Cl 1651933381 BRGFAYZTXJBOPC-UHFFFAOYSA-N 455.870 2.402 30 10 JEEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)Nc2ccccc2CC)CC1 1689888945 VGQVKCONXZDFLH-JOCHJYFZSA-N 477.613 2.356 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1cccc(C(=O)NCCC)c1)[C@H]1CCS(=O)(=O)C1 1689986484 QWXDSAKQWHMXSU-NRFANRHFSA-N 492.605 2.155 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H](C)SC)CC1 1690124212 HKTNRCRNYABKAR-ROUUACIJSA-N 464.636 2.093 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CC(=O)N(C)Cc2ccccc2)CC1 1690144231 QGWGJYREKJJPTN-UHFFFAOYSA-N 485.592 2.273 30 10 JEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2F)C[C@H]1C 1690155941 QEVORSQEWSLYJN-IAGOWNOFSA-N 480.635 2.109 30 10 JEEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 1690170074 YHYGWEGCCLJRSE-UHFFFAOYSA-N 467.574 2.075 30 10 JEEE C=CC[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](S(C)(=O)=O)C1)c1ccccc1 1690444541 JDDRQURAJVNXSM-AQNXPRMDSA-N 478.640 2.163 30 10 JEEE C=CCCCCn1c([C@@H]2CCOC2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1690464516 DAMCUSXVVGKMHX-QGZVFWFLSA-N 466.633 2.414 30 10 JEEE C=CCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCN(CC(=O)NCCOC)CC1 1690629982 OEMADQZOODUNNF-UHFFFAOYSA-N 481.626 2.448 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 1690677108 NBJWWYJGHYBSGZ-SFHVURJKSA-N 485.520 2.383 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2CCNC(=O)C2CC2)C1 1690687951 LMODIUOZGIPNEI-INIZCTEOSA-N 463.380 2.354 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(OC)c(F)c2)C1 1690700761 XKTZRFUONSTVSX-IAGOWNOFSA-N 450.536 2.158 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCS(=O)CC1 1690729105 GOASXONWURZACE-UHFFFAOYSA-N 480.656 2.458 30 10 JEEE CC(C)NS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ncccc2F)CC1 1692571376 BKJLMDOAFNUDQB-UHFFFAOYSA-N 498.588 2.005 30 10 JEEE Cc1ccccc1-c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H](N1CCOCC1)C(F)(F)F 1693248643 HSLNBQJETTXAHG-AEFFLSMTSA-N 450.465 2.245 30 10 JEEE CCS(=O)(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)CC2CC2)CC1 1696454307 CNWOTRJLHHMVMS-UHFFFAOYSA-N 491.639 2.045 30 10 JEEE C#CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(CCOC)[C@H](C)C1 1705525507 LKUGUWVDHRAKAU-GOSISDBHSA-N 473.647 2.117 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1Cc1cccc(C(=O)NCCC)c1)[C@@H]1CCS(=O)(=O)C1 1705563844 GSUHNIFYPPDSGF-OAQYLSRUSA-N 494.621 2.098 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(C#N)o1 1705582689 HMLDUHQJLYUDQY-LJQANCHMSA-N 450.499 2.172 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2CCCN2CCCO[C@H](C)C2)CC1 1705640760 FCMYAUQZYTWXFY-JOCHJYFZSA-N 466.630 2.134 30 10 JEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 1705663726 OXNULGKRCRVETI-DLBZAZTESA-N 462.620 2.116 30 10 JEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(c2cc(F)cc(F)c2)CC1 1705664567 STBLINMTYHZLIP-UHFFFAOYSA-N 460.554 2.372 30 10 JEEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCN(C(=O)C2CC2)CC1 1705891004 UUOMYMLLXGSDPF-GOSISDBHSA-N 460.579 2.221 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1705897231 ISYHZHWVMRRVCH-AZUAARDMSA-N 481.601 2.377 30 10 JEEE C=CCOc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@H]2C)cc1 1705911565 LCRIKBKQVSMVIG-YLJYHZDGSA-N 461.588 2.213 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H](F)COC)C1 1705924690 FSVLGRFSOFIJRP-RCCFBDPRSA-N 469.558 2.352 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(COc3cccc(C)c3)n2CC2(C(N)=O)CCOCC2)C1 1705929434 QJAAVEGTKKFQCE-HXUWFJFHSA-N 455.559 2.229 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1705932548 GJLHGBMRHHKWDG-MBSDFSHPSA-N 471.583 2.192 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CCN(C(C)=O)C[C@@H]1C 1705933130 VDWNESUINDANEJ-HNNXBMFYSA-N 451.980 2.256 30 10 JEEE CC(C)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCOC(C)(C)C2)CC1=O 1706507088 FUIFKWJBUOAZLP-UHFFFAOYSA-N 465.602 2.232 30 10 JEEE CC(C)NC(=O)c1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1C[C@]1(O)CCO[C@H]1C 1706595256 BBBWLWBUCATZSJ-BXKMTCNYSA-N 450.543 2.122 30 10 JEEE CO[C@@H]1COCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CNC(C)=O)CC1 1712094379 DZDLYACPWXVQEV-FGZHOGPDSA-N 452.559 2.221 30 10 JEEE C#CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(C)=O)C[C@H]1C 1722317268 RQOCCUYAVSAWJN-QUCCMNQESA-N 474.606 2.447 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1CCN(C(=O)OC)CC1 1722405351 BAMPDQMJDUQOCB-UHFFFAOYSA-N 488.614 2.133 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(Cl)c1C 1722414113 VVQSCLQNISOETA-SFHVURJKSA-N 451.980 2.081 30 10 JEEE C=C(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(CCS(C)(=O)=O)C1CC1 1722523092 ZWKLOEQXUPRHEM-UHFFFAOYSA-N 456.572 2.264 30 10 JEEE C=CCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1722623992 PYDVDGUOWGBVMN-VQTJNVASSA-N 473.599 2.189 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CC[C@H](N2CCCC2=O)C1 1722689420 SYFSMKVBSQFSSY-KRWDZBQOSA-N 473.375 2.211 30 10 JEEE C=CCOc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2C[C@@H](C)[C@@H](F)C2)cc1 1722704014 AFAVHFRRLROGKN-LSTHTHJFSA-N 479.578 2.018 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCC2(O)CCOCC2)C1 1722712162 ZYOKYDLURQXBFW-WMZHIEFXSA-N 450.580 2.032 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1722749195 GMAVJBPLZLNNEH-LJQANCHMSA-N 451.556 2.145 30 10 JEEE C[C@@H](CN1CCOCC1)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1723878374 GUCNLKGPIUGHFM-FXAWDEMLSA-N 494.518 2.465 30 10 JEEE CN(Cc1ccc(C#N)cc1)c1nnc(-c2ccc[nH]2)n1CCS(=O)(=O)N1CCSCC1 1729396398 DPQSLWMINODPSY-UHFFFAOYSA-N 471.612 2.160 30 10 JEEE COC(=O)N1CCC(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(CC(N)=O)CC2)CC1 1729786738 HOMDWFWOXVHCPH-UHFFFAOYSA-N 495.584 2.299 30 10 JEEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(N(C)C)nc2)C[C@@H]1C 1730798556 AUVAVDLDPYROGT-FQEVSTJZSA-N 490.612 2.395 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CCOc2ncccc2F)c1 1740562664 PHPCPJYPFJXBGQ-UHFFFAOYSA-N 479.516 2.086 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cn3nc(C)cc3C)n2C[C@](C)(O)C2CC2)c1 1740565658 ZIPZXIGXHZOHKF-VWLOTQADSA-N 461.570 2.357 30 10 JEEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCCN1C[C@H](C)O[C@H](C)C1 1740612487 ASGYMJXSOOAOMG-PSWAGMNNSA-N 479.673 2.212 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCCN1CC)[C@H]1CCS(=O)(=O)C1 1740618885 CULLZDQSBKGKSN-ROUUACIJSA-N 463.007 2.105 30 10 JEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1C[C@@]1(OC)CCOC1)[C@@H]1CCS(=O)(=O)C1 1740620818 YFEPPQFVZJJNTE-NQIIRXRSSA-N 464.975 2.031 30 10 JEEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1C[C@H](C1CC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1740628899 WEIJTXJTOKIVLM-FCHUYYIVSA-N 485.654 2.441 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCC(NC(=O)COC)CC1 1740761889 ZQFLMXVDANLWAW-HTAPYJJXSA-N 474.631 2.346 30 10 JEEE C=C(Cn1c(N2CCO[C@@H](CNC(C)=O)C2)nnc1[C@]1(OC(C)C)CCOC1)c1ccccc1 1740801070 ZHFOAANZKXHFLS-DHLKQENFSA-N 469.586 2.373 30 10 JEEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N(C)Cc1csc(Br)c1 1740963276 GEMHIQPARDLTIJ-UHFFFAOYSA-N 467.393 2.163 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCCN(CC(F)(F)F)CC1 1740988669 MKXHCZQHXOXFQR-UHFFFAOYSA-N 482.532 2.492 30 10 JEEE C#CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1748706833 TWUPPWYULUQREY-HXUWFJFHSA-N 461.574 2.467 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2CC2([S@](C)=O)CC2)CC1 1749014286 GVAJDFNAHUCVNE-XIFFEERXSA-N 475.565 2.024 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2Cc2cccc(OC)c2OC)CC1 1749016405 DDYUZSPTGSERDJ-UHFFFAOYSA-N 474.565 2.295 30 10 JEEE C=C(Br)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1749089679 ALUGTMFWDSIMPV-CQSZACIVSA-N 463.336 2.085 30 10 JEEE C=C(Br)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1749090548 PWGDSBRZVPXYFX-WBMJQRKESA-N 455.378 2.464 30 10 JEEE C=C(C)Cn1c(N2CCN([C@H](C)C(=O)NC3CCCC3)CC2)nnc1[C@@]1(OCC)CCOC1 1749207038 ARVIISIGZPFHFS-NTKDMRAZSA-N 460.623 2.076 30 10 JEEE C=C(Cl)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(NS(C)(=O)=O)CC1 1749268493 BQLIHAHVQHVKKA-KRWDZBQOSA-N 453.952 2.061 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2(OCC)CCCC2)CC1 1749303376 JHYDPIIBTJUZQF-GOSISDBHSA-N 453.609 2.117 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(C#N)C1 1749368132 BNNVZTACFUYFBM-UWJYYQICSA-N 450.609 2.343 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1nnc(C)s1 1749540874 DGQIZUOPUVHTLQ-CYBMUJFWSA-N 465.580 2.428 30 10 JEEE C=CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCC(N2CCNC2=O)CC1 1749760994 TYMYOMASBVWTJG-UHFFFAOYSA-N 475.644 2.183 30 10 JEEE CC(C)OCCn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1751049203 BDQPNQGQBVDLNT-UHFFFAOYSA-N 451.575 2.133 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccccc1CN1CCC(O)CC1 1760099218 DAWPLLOKVZNDSL-FQRUVTKNSA-N 467.614 2.393 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1ccc(OC)cc1 1760155201 TTXAGVRRLVGOFR-LEWJYISDSA-N 473.599 2.375 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@H](C)SC)[C@@H]1CCS(=O)(=O)C1 1760180464 FZEYMARYUSRIRL-DOTOQJQBSA-N 494.639 2.349 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCc1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 1760186721 FXOSQEIUZVNKQP-PZJWPPBQSA-N 458.584 2.398 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](OC)C(C)C 1760241994 QJQWSFUNBNURNL-RTWAWAEBSA-N 493.605 2.061 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(NC(=O)c2ccco2)cc1 1760249800 TVVNUSRULBHHBZ-IBGZPJMESA-N 497.577 2.160 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@]2(C)COCCO2)CC1 1760255529 DDAUKRDYKLVCQY-RUZDIDTESA-N 469.586 2.302 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(Br)cc3)n2C[C@@]2(OC)CCOC2)CC1 1760261755 WIOFDJIUJSOISX-QFIPXVFZSA-N 490.402 2.180 30 10 JEEE C#CCSCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@H](C(N)=O)C1 1760281849 YJPOFRPIMHUOCR-MSOLQXFVSA-N 476.647 2.461 30 10 JEEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1760287548 WUYAFQUGXKFKAO-KSZLIROESA-N 451.593 2.083 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)CCCC(=O)NC 1760322856 YHOAUWWFDVIYCW-IRLDBZIGSA-N 482.633 2.396 30 10 JEEE C=C(C)COCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1760351790 MBTJFFPLJIUFKV-UHFFFAOYSA-N 463.586 2.154 30 10 JEEE C=C(C)COCCn1c(-c2ccc[nH]2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1760354760 MDWTVNVSQVHJPO-SFTDATJTSA-N 469.634 2.492 30 10 JEEE C=CCC(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(NS(C)(=O)=O)CC1 1760415213 REHHSMLWFXNRBK-UHFFFAOYSA-N 480.660 2.390 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1CCN(C(C)=O)CC1 1760501663 YDDXDWKGVUQAMF-FQEVSTJZSA-N 475.615 2.267 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1760517864 ASYNMJQKZVMCTJ-UHFFFAOYSA-N 499.012 2.290 30 10 JEEE CC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1)OC 1762343148 BVQPIMAJFNUBSQ-LAUBAEHRSA-N 451.575 2.031 30 10 JEEE CCOc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCN2CCSCC2)cc1OC 1765992389 AJXCQCLUYRODKC-SFHVURJKSA-N 458.588 2.130 30 10 JEEE C=CCOc1ccccc1[C@H]1C(C(=O)N2CCC(C(N)=O)CC2)=C(N)Oc2c1c(C)nn2CC 1865223937 IKNQVRZXYQOZIB-HXUWFJFHSA-N 465.554 2.195 30 10 JEEE C=CCn1cc(OCC(=O)OCCOC)c(=O)cc1CN1CCN(c2ccccc2F)CC1 1870476139 DPEMBTDBIULSMS-UHFFFAOYSA-N 459.518 2.064 30 10 JEEE C=CCN=c1nc(N2CCN(Cc3ccccc3)CC2)[nH]c(=Nc2ccc3c(c2)OCCO3)[nH]1 1871711540 NCFHENYYMBDKJF-UHFFFAOYSA-N 459.554 2.150 30 10 JEEE C=CCn1c(C(=O)NCCOCCO)cc2c(N3CCN(C/C=C/c4ccccc4)CC3)ncnc21 1873594924 IBNHMVJURHNCGP-RMKNXTFCSA-N 490.608 2.191 30 10 JEEE COc1cccc(CCc2nnc(SCC(N)=O)n2/N=C/c2ccc3c(c2)OCCO3)c1 1874309243 MBHWDPPTTJCXRS-ZMOGYAJESA-N 453.524 2.303 30 10 JEEE COc1ccc([C@@H]2[C@H](C(=O)N(C)C3CN(c4nccnc4C#N)C3)SCC(=O)N2C(C)C)cc1 1891340004 GCPWIJUIJRENLV-FGZHOGPDSA-N 480.594 2.098 30 10 JEEE CN[C@H](C#Cc1ccccc1Br)[C@@]1(NC(=O)OC(C)(C)C)CCS(=O)(=O)C1 2235717482 BDSIKYJSJYGKIH-VQIMIIECSA-N 457.390 2.471 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1[C@@H]2CN(S(=O)(=O)c3sccc3B3OC(C)(C)C(C)(C)O3)C[C@@H]21 2255749984 CCDBYZDJFXIRST-NHAGDIPZSA-N 470.422 2.191 30 10 JEEE CC(C)(C)OC(=O)N1[C@H]2C[C@H]1CN(S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)C2 2255798888 AXWQTSXHPGRVFC-KBPBESRZSA-N 470.422 2.430 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](NS(=O)(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2255950577 QCDPAVSXTWCCIR-GASCZTMLSA-N 452.382 2.320 30 10 JEEE Cc1csc(CNC(=O)CN(CCO)C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2256614685 ORNMWMCIBALDAU-UHFFFAOYSA-N 454.398 2.201 30 10 JEEE COC(=O)[C@@H](CCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)NC(=O)OC(C)(C)C 2267137672 OPNOFRQUFNSFIQ-CQSZACIVSA-N 468.381 2.234 30 10 JEEE Cn1ncc(C(=O)N2CCC(CNC(=O)OCc3ccccc3)CC2)c1B1OC(C)(C)C(C)(C)O1 2267196559 FWPFCOYIMJQODN-UHFFFAOYSA-N 482.390 2.498 30 10 JEEE CN(Cc1csc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)[C@@H]1C[C@H](O)CN1C(=O)OC(C)(C)C 2268646163 SUOUQMNJSGANAB-HOTGVXAUSA-N 466.409 2.376 30 10 JEEE CC1(C)OB(c2cnc(CNC(=O)[C@@](C)(NC(=O)C(F)(F)F)C(F)(F)F)s2)OC1(C)C 2268670627 XJCPPXJXUHYPLW-CQSZACIVSA-N 475.220 2.058 30 10 JEEE Cc1c(C(=O)N[C@H]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281797884 AKYSIFSUKABUNK-CVEARBPZSA-N 462.400 2.451 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2COC[C@H]2NC(=O)OC(C)(C)C)c1 2281823054 WQAIGHRMGVAASS-QZTJIDSGSA-N 462.352 2.016 30 10 JEEE Cc1nn(C)c(C(=O)N[C@@]23CCN(C(=O)OC(C)(C)C)C[C@H]2C3)c1B1OC(C)(C)C(C)(C)O1 2281988537 NYTOANXTQQETSO-IQMFZBJNSA-N 460.384 2.157 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC[C@H]1CCN(C(=O)OC(C)(C)C)C1 2282012568 XSUOMBGKXNQZGO-INIZCTEOSA-N 462.400 2.405 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(F)c(C(=O)NC[C@](C)(CO)NC(=O)OC(C)(C)C)c1 2282019788 QMCLMKLTSFNEEE-HSZRJFAPSA-N 466.359 2.439 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@]2(CCN(C(=O)c3ncc(B4OC(C)(C)C(C)(C)O4)cn3)C2)C1 2282030661 IWFWRZMBYSVKJX-QHCPKHFHSA-N 458.368 2.249 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)c1ccco1 2282031464 SIDDFHIJILJSSL-OAHLLOKOSA-N 458.324 2.365 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@H]2CCN(C(=O)c3occc3B3OC(C)(C)C(C)(C)O3)C[C@H]21 2282051895 KHKSZYMGCXVDLC-SJORKVTESA-N 462.352 2.429 30 10 JEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CNS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282295833 RDABTDPZBBLXFJ-JKSUJKDBSA-N 481.424 2.162 30 10 JEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H]1CC(C)(C)[C@@H]1OCc1ccccc1 2282335488 QCUZFBZPMWOTSJ-YLJYHZDGSA-N 475.420 2.382 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@]2(NS(=O)(=O)c2ccc(F)c(B3OC(C)(C)C(C)(C)O3)c2)C1 2282512319 RYTAYFSBGQRFRK-PEBXRYMYSA-N 482.383 2.413 30 10 JEEE CCO[C@@H]1C[C@H](NC(=O)OC(C)(C)C)[C@H]1NC(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1 2282519803 MKCDBABABWCKRX-RCCFBDPRSA-N 461.368 2.181 30 10 JEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)[C@@H]1NC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282552964 UGAMCKUAFYDDCM-QLPKVWCKSA-N 462.400 2.341 30 10 JEEE Cc1nn(C)c(C(=O)NC[C@H]2CCC[C@H]2NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2282562103 XDABTCWGBVSTDZ-HZPDHXFCSA-N 462.400 2.451 30 10 JEEE Cn1nc(C(=O)N2C[C@H]3C[C@H](NC(=O)OC(C)(C)C)C[C@H]2C3)cc1B1OC(C)(C)C(C)(C)O1 2282629621 YBBWSKFIPDZOEK-HRCADAONSA-N 460.384 2.237 30 10 JEEE Cc1cnc(C(=O)N[C@H]2COCC[C@H]2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2282649247 YAOLYBSJLAMEPW-SJORKVTESA-N 461.368 2.101 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CNC(=O)c3nccnc3B3OC(C)(C)C(C)(C)O3)C[C@@H]21 2283071241 CEIOUFAJYSEGDI-OAGGEKHMSA-N 458.368 2.151 30 10 JEEE CCc1nc(C(=O)N[C@@H](CN(C)Cc2ccccc2)C(=O)O)c(B2OC(C)(C)C(C)(C)O2)s1 2284423553 UBCYFZXJESVUKX-INIZCTEOSA-N 473.404 2.320 30 10 JEEE COc1cc2c(cc1OC)C(=CC(=O)CCc1ccc(S(=O)(=O)N3CCOCC3)cc1)NCC2 2296252589 KHYAZZWNQORLIH-UHFFFAOYSA-N 486.590 2.413 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2CN(Cc3ccccc3)C[C@]2(C)C1 2362349469 YBMYDDLHGBHUPC-UQBPGWFLSA-N 450.392 2.313 30 10 JEEE CN(C(=O)OC(C)(C)C)[C@@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)CC1(C)C 2362356619 IFRNKPWCJCNMNI-OAHLLOKOSA-N 462.400 2.437 30 10 JEEE C=CCn1c(SCCCn2c(=O)c3c(ncn3C)n(C)c2=O)nnc1-c1cccc(C)c1 24718829 VUGUCWHNZFUQEA-UHFFFAOYSA-N 451.556 2.369 30 10 JEEE Cc1nc2ccccn2c1/C(O)=C1/C(=O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccc([N+](=O)[O-])cc1 102516099 DWOSYGHWAAFVEI-LAGVDGIJSA-N 491.504 2.305 30 10 JEEE CO/N=[N+](\[O-])CC(=O)N1[C@@H](C)CN(S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(N(C)C)cc1 103936613 BNEQPEIXSSHHGW-XJGWCNMESA-N 461.544 2.197 30 10 JEEE Cn1c(=O)c2[nH]c(Sc3nnc(N/N=C/c4cccc(Oc5ccccc5)c4)[nH]3)nc2n(C)c1=O 105375848 DSDBPWJYMJDUHZ-FSJBWODESA-N 489.521 2.468 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)N(C)CCCOc3ccc(S(C)(=O)=O)cc3)cc2C1=O 518896317 HXCAMIOBNWBELH-UHFFFAOYSA-N 456.520 2.413 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(S(=O)(=O)c4cc(C)sc4C)CC3)cc2C1=O 519056809 OPIZARARPDDNMJ-UHFFFAOYSA-N 473.576 2.294 30 10 JEEE CCn1c(CCC(=O)NCc2ccc(C#N)cc2F)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 609229853 WAOQSSFSZBAHPN-UHFFFAOYSA-N 499.568 2.337 30 10 JEEE C#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCOC[C@@H](C(=O)O)C1 757462590 XNASROOQZBQUIP-SBUREZEXSA-N 462.502 2.477 30 10 JEEE COC(=O)c1ccc(C=NNc2nc(SCC(=O)NCc3ccc(OC)cc3)n[nH]2)cc1 1084560665 ZTEVQUZVRTYEJV-UHFFFAOYSA-N 454.512 2.454 30 10 JEEE C[C@H]1CCCCN1CCC/N=C(/Nc1ccc(S(N)(=O)=O)cc1)N[C@H]1CCCC[C@@H]1N 1088685076 GYRAIXKPVPASOP-YYWHXJBOSA-N 450.653 2.226 30 10 JEEE C=CCn1c(S)nnc1-c1sc(NC(=O)c2ccc(C)c(S(N)(=O)=O)c2)nc1C 1144387488 JJPQJIGBXFWUED-UHFFFAOYSA-N 450.571 2.393 30 10 JEEE C=CC[C@]1(C(=O)N2CCN(S(=O)(=O)N(CC)CC)CC2)CCCN1C(=O)OC(C)(C)C 1151879797 ZWNSTZHSXUUSFY-OAQYLSRUSA-N 458.625 2.063 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CC2(O)CCCCCC2)c1 1286310728 YJIDRHZQNWPYGP-FQEVSTJZSA-N 464.570 2.371 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@H]1OCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1286391954 GCFYUACTBNGYCI-GQIGUUNPSA-N 464.538 2.199 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H](C)CN1CCOCC1 1286418582 DFDAXTPNNZCKFH-FQEVSTJZSA-N 483.016 2.293 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccccc2Br)n1CC1(O)CCS(=O)(=O)CC1 1286423114 FBUWVHRSBYOMSH-UHFFFAOYSA-N 491.411 2.110 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@]1(O)CCO[C@H]1C 1286460910 LMJQPKHFBKOUPO-FSJWIPBVSA-N 458.534 2.321 30 10 JEEE C#CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(C(=O)C(C)C)CC1 1286508310 QIBMNKKBCHOQLF-UHFFFAOYSA-N 451.600 2.188 30 10 JEEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1286514186 BDQNOTQIWCJUNE-GMAHTHKFSA-N 490.718 2.363 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCN(CCC)C(=O)C1 1286563265 OQZXHQOAGAQCDX-LGGPRVQUSA-N 461.607 2.432 30 10 JEEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](F)[C@@H](c2ccccc2)C1 1286629359 KXUWPHVZSHBBTE-KZNAEPCWSA-N 469.970 2.305 30 10 JEEE C=CCCOCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](C(=O)NC)C1 1286710682 BYNRAOANNRSSPO-OALUTQOASA-N 492.621 2.142 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)Oc1cccc(F)c1)C1CC1 1286736418 DZVXKOVKAVZDTG-JXFKEZNVSA-N 479.578 2.372 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(c2nc(C)cs2)CC1 1286782613 ZZIVKXCYPZXBEN-UHFFFAOYSA-N 468.543 2.247 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1286783642 XSPMBCYIBXPBGX-CVEARBPZSA-N 492.983 2.407 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCCN(C(=O)c2ccccc2F)CC1 1286788909 JWIWNAUYVWOQGV-UHFFFAOYSA-N 477.544 2.058 30 10 JEEE C=CCOc1ccc(Cn2c([C@H]3CCCOC3)nnc2N2CCCN(S(C)(=O)=O)CC2)cc1 1286797246 SPQGMSVPAXXCGT-FQEVSTJZSA-N 475.615 2.257 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](c2ccccc2)O[C@H](C)C1 1286814204 NEDXTOARJAPRNT-UYAOXDASSA-N 496.593 2.493 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1286821803 ATTXQKVMLJGLSC-OAHLLOKOSA-N 491.561 2.036 30 10 JEEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H](c2ccc(C)cc2)N(C)C)CCOC1 1296663020 GUGPPQMNMONGDF-PQNGQFLHSA-N 454.575 2.270 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCCN1CCC[C@@H]1CO 1300309292 SMIJPHHIBQKELH-IFMALSPDSA-N 466.634 2.147 30 10 JEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1C[C@H]1CCCN(C(C)=O)C1)[C@@H]1CCS(=O)(=O)C1 1300482459 GEVOSWCNZXYFPM-GHTZIAJQSA-N 490.029 2.484 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1CCOCc1ccccc1)[C@H]1CCS(=O)(=O)C1 1300487432 JIYQGOHCXYDVQM-FQEVSTJZSA-N 451.552 2.184 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCc1sc(C)nc1C)[C@@H]1CCS(=O)(=O)C1 1300496607 SLXKBHOLNPYECA-QZTJIDSGSA-N 463.629 2.462 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(C)nc3ccccc23)n1CCS(=O)(=O)NC(C)C 1300512951 OQKFAQWSGMVZOT-UHFFFAOYSA-N 450.568 2.202 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)Nc1ccc(F)cc1 1300537098 AANPFKLVTWXSPH-HXUWFJFHSA-N 496.543 2.437 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2OCC[C@H]2COC)n1CC1(O)CCOCC1 1300650680 VQDFMZITINZCKN-FPOVZHCZSA-N 458.534 2.323 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2CC[C@@](C)(CC)O2)CC1 1300731703 GVUPGXBHUJTORM-UGCAPWQASA-N 473.618 2.316 30 10 JEEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@H](Cn2cccn2)C1 1300746986 WEDKGDBJDRAFPM-IBGZPJMESA-N 468.583 2.431 30 10 JEEE C=C(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC(NS(C)(=O)=O)CC1 1300935539 VOKMOUUABNECDK-UHFFFAOYSA-N 465.576 2.065 30 10 JEEE Cc1ccc([C@@H](Cn2c(C(=O)NC(C)C)nnc2N(C)C[C@H](C)C#N)N2CCOCC2)cc1 1304270416 BVAMNBDNBVNGAS-TZIWHRDSSA-N 453.591 2.394 30 10 JEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2COC)c1 1305032761 SVHAIVPOPVUYTN-GOSISDBHSA-N 450.557 2.192 30 10 JEEE C#CCN1CCC[C@@H](NC(=O)NCc2cccc(NS(=O)(=O)c3ccc(OC)cc3)c2)C1 1311985171 BGJRESCUGCFMFB-HXUWFJFHSA-N 456.568 2.393 30 10 JEEE COc1ccc(OCc2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@H]2CCN(S(C)(=O)=O)C2)cc1 1315533646 FSCVKNXQUKNQDL-MBSDFSHPSA-N 488.614 2.277 30 10 JEEE COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2CCN(CCN(C)C)CC2)C[C@@H](C)O1 1315930402 HKQPIUJARKUPBQ-HYBUGGRVSA-N 481.645 2.330 30 10 JEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1C[C@H]1CCCCS1(=O)=O)[C@H]1CCS(=O)(=O)C1 1358958962 ZCLSNOBNXHFSGN-RBUKOAKNSA-N 497.042 2.193 30 10 JEEE C#CCN(c1nnc(-c2cn(C)c3ccccc23)n1CCOC(C)C)[C@H]1CCS(=O)(=O)C1 1358960281 AUNGEVBMNHCYCL-SFHVURJKSA-N 455.584 2.489 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCc1cccc(F)c1F)[C@H]1CCS(=O)(=O)C1 1358965976 FUUVIFFZWAGTCC-IBGZPJMESA-N 488.564 2.287 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCN/C(O)=C1\N=CC=CC1=O 1358976391 CGMLHGQBXWWPDE-ZNTNEXAZSA-N 467.489 2.199 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H](C)Oc2ccccc2OC)CC1 1359031057 ONUXQGHSYSPGID-NBGIEHNGSA-N 469.586 2.162 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCN2CCCC[C@H]2CC)CC1 1359031653 KHRCUXSQQVETTA-JOCHJYFZSA-N 484.670 2.368 30 10 JEEE C#CCN1CCN(c2nnc(-c3noc4c3COCC4)n2CCSCC(F)(F)F)CC1 1359034465 RPXFRHIPJBPXTP-UHFFFAOYSA-N 456.494 2.057 30 10 JEEE C#CCSCCn1c(-c2cccc(Br)c2)nnc1N1CCS(=O)(=O)CC1 1359050685 YYDGWDYBTQWPGQ-UHFFFAOYSA-N 455.403 2.309 30 10 JEEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1359137709 XZWZMQCUPPBVEO-UNMCSNQZSA-N 485.585 2.263 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](OC)c2ccc(F)cc2)CC1 1359165283 LYPHWXKDGKJSBS-WOJBJXKFSA-N 479.578 2.294 30 10 JEEE C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1359201948 FERASNYSBPOFIQ-VQTJNVASSA-N 457.623 2.109 30 10 JEEE C=CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCCN(S(C)(=O)=O)CC1 1359214323 ZRBQOIUBZIPXCH-UHFFFAOYSA-N 485.614 2.113 30 10 JEEE C=CCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)CCNS(=O)(=O)c1ccc(C)cc1 1359287675 QBENTDPFALUXHJ-UHFFFAOYSA-N 496.641 2.361 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC(CC(=O)NC2CCCC2)CC1 1359302810 VABYTGQWXURPQC-UHFFFAOYSA-N 465.602 2.231 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)[C@@H]1CCSC1 1359327391 ZNIAFRCSKPSFSR-QGZVFWFLSA-N 484.047 2.404 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@]2(CC=CCC2)C1 1359333023 MMKFJFWSGUBPHG-NQIIRXRSSA-N 468.645 2.108 30 10 JEEE C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N1CCN(C)CC1 1475837286 ZEKKMQVXMQSAKP-KNQAVFIVSA-N 479.647 2.324 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1507518379 LOJWNDPTJZTIGX-SQGPQFPESA-N 459.513 2.040 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(O)CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1507626101 DAAZBXOFWRDYNM-RDPSFJRHSA-N 467.595 2.385 30 10 JEEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1CC1(O)CCCC1)[C@H]1CCS(=O)(=O)C1 1507639170 JSBYRAQZIKSQPC-FQEVSTJZSA-N 472.611 2.406 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(NC(C)=O)nc1 1507653838 ROWLJYPNCOJGMG-HXUWFJFHSA-N 493.568 2.061 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(F)ccc2Br)n1C[C@@]1(O)CCN(C)C1 1507662351 RAECBBWFQBMKGR-OAQYLSRUSA-N 460.351 2.376 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C 1507666584 CNNDWHZMETUJKC-GBESFXJTSA-N 454.575 2.338 30 10 JEEE C=C(Br)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1507777921 LLYOEYCCRGRDRM-UHFFFAOYSA-N 490.362 2.163 30 10 JEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccccc2CN2CCC(O)CC2)CC1 1507879011 CHCRJNYOQMQNHB-LJQANCHMSA-N 488.658 2.050 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)OC 1508002310 DOSFTSUWGORHBS-IBGZPJMESA-N 463.604 2.229 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nc2cc(OC)ccc2n1C 1508018590 GOOLTSVUTYONJZ-MRXNPFEDSA-N 456.572 2.302 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1508119499 WTFVNCNBMUACQS-RTBURBONSA-N 491.614 2.168 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N(C)[C@H]1C[C@@H](OCC)C1(C)C 1508141348 VJAKLHNYTLPVLS-ZWKOTPCHSA-N 479.603 2.246 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCC(Cn2cncn2)CC1 1508145200 KISJQMOEISAYBP-UHFFFAOYSA-N 473.578 2.117 30 10 JEEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)c2cccs2)CCO1 1518912493 HAIUVLQFMNFUKU-SFHVURJKSA-N 452.540 2.160 30 10 JEEE N#Cc1ccc(-c2nnc(N3CCNC(=O)CC3)n2CCNc2nccc(C(F)(F)F)n2)cc1 1521094548 DYQJPBRVVBCAEN-UHFFFAOYSA-N 471.447 2.064 30 10 JEEE CCn1c(NC(=O)CN(C)S(=O)(=O)c2ccc(NC(C)=O)cc2)nc2cc(C#N)ccc21 1527723639 HBPLWTKWVWJNEH-UHFFFAOYSA-N 454.512 2.145 30 10 JEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1539101679 FLECPYWTCIDUOO-XMMPIXPASA-N 497.625 2.094 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(OC)c(Br)c1 1539231354 RMXMVMSEGBMMEY-UHFFFAOYSA-N 456.344 2.406 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1sccc1Br 1539297027 XSUQBJQDIYQWPU-ZDUSSCGKSA-N 470.418 2.224 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@]2(O)CCC[C@H]2C)CC1 1539428506 SHZKUHXFCWYKGA-KOSHJBKYSA-N 471.005 2.168 30 10 JEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC([C@H]2CC2(F)F)CC1 1540005640 MYAFOPZHTCDUDT-IAGOWNOFSA-N 459.563 2.449 30 10 JEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 1540035630 FQSHNLPPKLPUSV-ROUUACIJSA-N 483.635 2.219 30 10 JEEE C=CCNC(=O)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1C[C@H](C)C[C@@H](C)C1 1540873589 CYVAQYWWBXQAPV-FGZHOGPDSA-N 465.646 2.427 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1540898351 HXBKEUXNEFRZOA-OAHLLOKOSA-N 499.435 2.132 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2CC)nnc1N1CCN(C(C)=O)C[C@@H]1C 1540909128 YWTIAVGJQKJROO-SFHVURJKSA-N 475.615 2.077 30 10 JEEE CCOc1cc(Cn2c(C(=O)NC(CC)CC)nnc2N2CCO[C@@H](C#N)C2)ccc1OC 1547939074 DAEYOJLMECATCD-SFHVURJKSA-N 456.547 2.381 30 10 JEEE CCOCC(=O)N1C[C@@H](C(=O)NC)C2(CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)C1 1548375340 JQYOHPCPEGBZKG-SFHVURJKSA-N 452.477 2.405 30 10 JEEE C#CCN(c1nnc([C@@H](C)CC)n1CCNC(=O)c1ccc(C)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1588030035 OITSJPQNBXPRHB-QFBILLFUSA-N 475.590 2.296 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1cn2ccc(C)cc2n1 1588099579 RHYKUUUVCIPTEJ-UHFFFAOYSA-N 487.589 2.273 30 10 JEEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(CN2CCC(O)CC2)cc1 1588186031 QDLGVAWEDDNUNX-NDEPHWFRSA-N 491.636 2.398 30 10 JEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCN(CCc2ccccc2)C1 1588245968 XIINXDHMFWBYHK-XMMPIXPASA-N 458.610 2.428 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2csc(N3CCOCC3)n2)n1CCC(=O)NC 1588481431 IORPFSHILFLRQE-UHFFFAOYSA-N 483.573 2.153 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2CN(C(=O)OC(C)(C)C)C2)CC1 1588768888 MBVOJZGBQKBIGX-UHFFFAOYSA-N 481.557 2.475 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2Cc2ccc(N3CCOCC3)nc2)CC1 1588884503 COPYBNNXAFUYBO-IBGZPJMESA-N 465.602 2.037 30 10 JEEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2ccc(F)cn2)CC1 1588975955 NRAVMMFLGJQNHL-UHFFFAOYSA-N 459.595 2.424 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1589504762 JGOGCKLPPURRQE-FZONSQQESA-N 486.569 2.304 30 10 JEEE C=C(C)COCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCO[C@H](CNC(C)=O)C1 1593729286 JVAQXCODVHRRSE-LJQANCHMSA-N 452.559 2.371 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](CCC)C1 1594497830 MVNPSQNIIWDIOD-MSOLQXFVSA-N 455.625 2.219 30 10 JEEE C=CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC2(CC1)COC(=O)N2)c1ccccc1 1594536351 XECALMSYAXTESC-IEBWSBKVSA-N 488.614 2.327 30 10 JEEE C=CCOc1ccc(Cn2c(Cc3cccnc3)nnc2N2CCN(CC(=O)N(C)C)CC2)cc1 1595640293 VDZKBNJYGURMFX-UHFFFAOYSA-N 475.597 2.087 30 10 JEEE CC[C@H](C)[C@](C)(O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1613098624 FQFZJVRSIKDRKJ-DOAHWQAKSA-N 490.630 2.135 30 10 JEEE N#Cc1ccc(OCc2nnc(N3CCCCCCC3)n2C[C@@]2(O)CCS(=O)(=O)C2)cc1 1620351890 HYIHFDOZHKKRES-QFIPXVFZSA-N 459.572 2.049 30 10 JEEE N#Cc1cc(F)ccc1S(=O)(=O)NCCc1ccc(S(=O)(=O)N2CCCCC2)s1 1621839718 HDAUNRQPZKEBEB-UHFFFAOYSA-N 457.574 2.454 30 10 JEEE Cc1ccc(CN2CCCN(C(=O)CN3CCN(c4snc(C)c4C#N)CC3)CC2)cc1 1653757906 CUHAZBAZSAUDHL-UHFFFAOYSA-N 452.628 2.488 30 10 JEEE N#C[C@H]1CN(S(=O)(=O)C2CN(C(=O)c3cccc(Cl)c3)C2)CCN1Cc1ccccc1 1661508519 CUPSYLSHYQWOIS-FQEVSTJZSA-N 458.971 2.204 30 10 JEEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2nc3c(s2)C[C@H](C(C)(C)CC)CC3)CC1 1669795976 GTFYKKIVIJJVFF-OAHLLOKOSA-N 453.634 2.301 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCc1ccc(Cl)s1)[C@@H]1CCS(=O)(=O)C1 1689978520 XNFXSEJYFSNPOL-CQSZACIVSA-N 470.020 2.001 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@H](C)N(C)C1CC1)[C@@H]1CCS(=O)(=O)C1 1689982011 GDUGZMDRHRSFSW-FXAWDEMLSA-N 457.600 2.063 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1CCCCOCC)[C@H]1CCS(=O)(=O)C1 1689982807 VBGUENPUOZTETL-KRWDZBQOSA-N 498.447 2.490 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@]1(C)CCCO1)[C@H]1CCS(=O)(=O)C1 1689984908 XWAZPMUKRUJBQN-SBUREZEXSA-N 474.583 2.158 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1cccc(CN(C)CC)c1)[C@H]1CCS(=O)(=O)C1 1689993255 ZIJRJSRPHQZYSL-DEOSSOPVSA-N 492.649 2.391 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H](C)N1CCN(c2ccccc2)CC1 1690030121 OTQZGBAKSJNZEF-LSQMVHIFSA-N 476.625 2.286 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Cl)n2CC2CCS(=O)(=O)CC2)CC1 1690140239 RMGLFQLWDKLNSW-UHFFFAOYSA-N 490.029 2.389 30 10 JEEE C=C(Br)Cn1c(N2CC[C@H]3CCNC(=O)[C@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1690234334 APNNWVNRFMKYAQ-GQIGUUNPSA-N 468.396 2.190 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1690237895 BUBHGOOCYDJHTO-ZSXPUABSSA-N 460.579 2.295 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1690255856 XIBYNNRTLLRJSF-NMLBUPMWSA-N 468.620 2.141 30 10 JEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](c2ccc(C)o2)N2CCOCC2)CC1 1690364224 MBHKDHIOUUMKLM-MOPGFXCFSA-N 478.619 2.020 30 10 JEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1c(C)cccc1C)C1CC1 1690545686 WQFIVLCPGOCJMN-HXUWFJFHSA-N 475.615 2.462 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@H]1c1nncn1C 1690675800 FREJQYKXVFUAHU-SFHVURJKSA-N 450.547 2.246 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(Cl)c(OC)c2)C1 1690685881 FMCANBZJLWOSEF-GDBMZVCRSA-N 469.995 2.380 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CCN(C[C@H]2CCOC2)CC1 1690720214 BJFRMRGURHPMPG-GOSISDBHSA-N 480.034 2.358 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N(C)Cc1ccc2c(c1)OCCO2 1690723914 DCICJWXTGXRQPB-GOSISDBHSA-N 462.572 2.181 30 10 JEEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@H]1CN(CC(C)C)CCO1 1705549664 DNKKFIUEJDBJPJ-HXUWFJFHSA-N 477.613 2.491 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCc1cccc(F)c1F)[C@H]1CCS(=O)(=O)C1 1705571918 LGAIICYOMONUMF-FUHWJXTLSA-N 450.511 2.277 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)ccc3C)n2CC(C)(C)C(=O)NC)CC1 1705651454 XHMRHUBJIOKIND-UHFFFAOYSA-N 480.613 2.212 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1705700310 RUDLZJZZRBJEMU-FQOCKNPQSA-N 474.650 2.190 30 10 JEEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1705787474 UECDUYUKAHOZBJ-SFHVURJKSA-N 466.652 2.224 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](N2CCCC2)C1 1705792532 VIIDALBGFOZIOP-VQTJNVASSA-N 480.679 2.278 30 10 JEEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCCS(=O)(=O)C1 1705844236 XYXFHXYETJUJBD-DLBZAZTESA-N 469.608 2.034 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CCC3)CC2)cc1 1705909819 IXSNFYAJKMWBDJ-GOSISDBHSA-N 474.631 2.176 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccccc2CN2CCCC2=O)C1 1705915500 VDUBYNFPUDOESO-OAQYLSRUSA-N 466.586 2.368 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCNC(=O)c2ccc(C)c(F)c2)C1 1705923071 YOVPATQUDGMTOE-IBGZPJMESA-N 453.522 2.337 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 1705927657 CUBYAPPAXPEJMW-GOSISDBHSA-N 491.589 2.256 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](C(C)C)N2CCOCC2)C1 1705929362 PHQYPMKKTCMQQY-FGZHOGPDSA-N 457.623 2.278 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1705932597 WGXNCLSUMWQOFQ-NRFANRHFSA-N 464.551 2.390 30 10 JEEE CC(C)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)C(C)(C)C)CC1=O 1706507103 FZKHDMPWORDXLF-UHFFFAOYSA-N 451.575 2.284 30 10 JEEE CCO[C@@]1(c2nnc(N(C)Cc3cccc(C#N)c3)n2C[C@@H]2CCCS(=O)(=O)C2)CCOC1 1710427025 ICUOWWMNJGHXRK-REWPJTCUSA-N 473.599 2.263 30 10 JEEE CCO[C@@H]1C[C@H](N(C)c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)C1(C)C 1710597643 DYIDOBIMOJKDLN-LEWJYISDSA-N 482.585 2.227 30 10 JEEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC1(N(C)C)CCCCC1 1710734456 DARIJLWNHWOHNE-LJQANCHMSA-N 467.622 2.456 30 10 JEEE C#CCN(c1nnc(C(C)C)n1Cc1ccc(N2CCC(CO)CC2)cc1)[C@@H]1CCS(=O)(=O)C1 1722358072 DHWADTPUFRUKES-HSZRJFAPSA-N 485.654 2.285 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1Cc1cccc(O)c1)[C@H]1CCS(=O)(=O)C1 1722365955 QDYKRVCIAIRRDC-INIZCTEOSA-N 490.383 2.416 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1CCc1nccnc1C)[C@H]1CCS(=O)(=O)C1 1722371516 XBWRNYHEPLOPSR-NRFANRHFSA-N 494.621 2.442 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cc(C)no1 1722426191 BZZITLWHHYTXGB-SFHVURJKSA-N 460.535 2.017 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCOC[C@H]1OC 1722657185 UKCKKBDGRNLHRM-BHDDXSALSA-N 485.610 2.296 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCCN(CC)C(=O)C1 1722691283 PTPFXUIRGUXYEB-LJQANCHMSA-N 454.575 2.396 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(c2ccc(F)c(OC)c2)CC1 1722696834 BQCZIWAJJHYAOX-UHFFFAOYSA-N 453.522 2.060 30 10 JEEE C=CCNC(=O)Cn1c(N2CCN(Cc3ccccc3)C[C@@H]2C)nnc1[C@]1(OC(C)C)CCOC1 1722703823 JBWNVDOUQUNAMQ-LVXARBLLSA-N 482.629 2.332 30 10 JEEE CC(C)OC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(CS(C)(=O)=O)CC2)CCO1 1723700507 FSQHCYWAZDADCR-HXUWFJFHSA-N 473.599 2.272 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc(C(=O)N2CCCC2)n1CCCN1CCN(c2ccccc2)CC1 1723768558 DPZQTEXOBIBPKU-NRFANRHFSA-N 464.618 2.465 30 10 JEEE CCN(CC)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1728413448 DUUKJGVOHBEELB-UHFFFAOYSA-N 487.612 2.369 30 10 JEEE CCN1CCN(C[C@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N(CC)[C@@H]2CCS(=O)(=O)C2)CC1 1728628639 FIWMWPHYTHYNLO-NZQKXSOJSA-N 499.685 2.104 30 10 JEEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC2(O)CCC2)C[C@@H]1C 1730798524 AMQUQDUOQRZZRE-IBGZPJMESA-N 454.575 2.191 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Br)n1C[C@@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1740618729 BCXSKDDASMUDIC-CVEARBPZSA-N 480.432 2.284 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1CCN(CC)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1740622543 ZHULZYCJYWMPAR-GOSISDBHSA-N 488.614 2.224 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CCc1ccc(C)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1740624014 CDHGDGVRGLYVET-QFIPXVFZSA-N 479.606 2.450 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC[C@H]1COCCO1 1740684604 WDDUPQIZTCSUTO-IBGZPJMESA-N 480.569 2.127 30 10 JEEE C#CCN1CCN(c2nnc(-c3sc(-c4ccccc4)nc3C)n2CCCNS(C)(=O)=O)CC1 1740692607 MYODXOIRQZUOJP-UHFFFAOYSA-N 499.666 2.072 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[C@@H](C)c2ccccc2)CC1 1740701728 BWLAJHRTQXCVRK-RTBURBONSA-N 486.642 2.048 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Br)n2CC(=O)N(C)CC)CC1 1740703663 AKBDRTYDLWLKPA-UHFFFAOYSA-N 487.402 2.152 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Cl)n2C[C@]2(O)CCSC2)CC1 1740703857 GDZZGSGLFZRSOI-JOCHJYFZSA-N 460.003 2.432 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nc(C(C)(C)C)cs1 1740732306 YMVQMKIHAPLLKG-KSFYIVLOSA-N 492.671 2.405 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCCS1(=O)=O 1740935202 FEYWJCFHZPMLHF-RTWAWAEBSA-N 492.667 2.383 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1CC[S@](=O)C(C)(C)C 1741912901 CHRXKZFHJITGRU-FTDQSSOUSA-N 492.671 2.476 30 10 JEEE Cc1ccc(C(=O)NCCn2c([C@H]3CCC(=O)N3)nnc2N2CCC[C@@](C)(C#N)C2)cc1F 1742152349 BWOHOYYQVPVEHO-JPYJTQIMSA-N 453.522 2.237 30 10 JEEE CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2snnc2C)CC1 1743905395 CTESNWLJPFQGIJ-INIZCTEOSA-N 479.614 2.062 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OCCC)c(OC)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1748657820 JVEWHHVGTKDTFV-ROUUACIJSA-N 475.615 2.482 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2ccc(CC)cc2)C1 1748751306 FHXWAFPPXUIXPQ-VXKWHMMOSA-N 487.626 2.165 30 10 JEEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 1748759320 GGPDYOIOTKVNAE-UHFFFAOYSA-N 480.661 2.370 30 10 JEEE C#CCN(c1nnc(-c2cc(C)nc3ccccc23)n1CCC(=O)NCCC)[C@H]1CCS(=O)(=O)C1 1748804999 MUGWTAKITJOQGL-IBGZPJMESA-N 494.621 2.345 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccccc2OC)n1CCCN1C(=O)NC2(CCCC2)C1=O 1748839025 MNPVVEBWJNFLNO-UHFFFAOYSA-N 460.538 2.281 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1(N(C)C)CCC1 1748887054 RFWKNDXPVIIKAF-UHFFFAOYSA-N 453.616 2.185 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc(OC)c(F)c2)CC1 1748978337 KFDSHOPPMUQSQM-DEOSSOPVSA-N 457.550 2.270 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1CCNS(=O)(=O)c1ccc(C)s1 1749056441 YWRZFQDUIGNSTL-FGZHOGPDSA-N 493.655 2.271 30 10 JEEE C=C(Br)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1749110091 GGNIVJPGHPNWFI-UHFFFAOYSA-N 484.420 2.464 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc2c[nH]nc2c1 1749159788 YPNNYWIUTZOTRY-FQEVSTJZSA-N 473.603 2.132 30 10 JEEE C=C(C)COCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](NC(C)=O)C1 1749230172 UMISNDNNIWDZIH-PMACEKPBSA-N 492.621 2.284 30 10 JEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 1749457310 JDQHLJDIVMKHIA-JKSUJKDBSA-N 466.526 2.321 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)c1nc(C)cs1)C1CC1 1749519355 JRJLQGOMPCHYRD-YOEHRIQHSA-N 466.633 2.334 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1CCS(=O)(=O)C1 1749600309 VNUCCFSPUWCGIZ-OALUTQOASA-N 497.662 2.466 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1749655157 DNMPMNOUNOGCLL-ZWNOBZJWSA-N 477.285 2.494 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2nc(C)c(C)s2)C1 1749711602 AYMXUWVIPAGKOL-DLBZAZTESA-N 451.618 2.278 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccnc(OC2CCOCC2)c1 1760096862 VTHSTXVSQMGGCD-QGZVFWFLSA-N 461.526 2.384 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCOCCOC 1760116769 KAGXYEUODWRXCZ-MSOLQXFVSA-N 451.568 2.098 30 10 JEEE C#CCN(c1nnc(C(C)C)n1Cc1cc2c(cc1OC)C[C@@H](C)O2)[C@@H]1CCS(=O)(=O)C1 1760183545 RDZOFHIKKHYZHU-VQIMIIECSA-N 458.584 2.409 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC[C@H]1COCCO1 1760208728 IOMIPZPMWHIGGK-FQEVSTJZSA-N 455.946 2.130 30 10 JEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2c(F)cccc2OC)CC1 1760281305 QDMAAWLCQDYXKM-QGZVFWFLSA-N 458.563 2.070 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccn3C)n2CCCN2CCC[C@H]2C(=O)N(C)C)C1 1760540210 DAQSLTDPNYPTGY-FPOVZHCZSA-N 455.607 2.008 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1760551888 VQKDPTGKBFFTKO-QZTJIDSGSA-N 494.017 2.455 30 10 JEEE CCCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2([S@@](C)=O)CC2)CC1 1764525623 DTQNRKPKSKVRBF-JGCGQSQUSA-N 454.600 2.470 30 10 JEEE COC(=O)N1CCC(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@@H](NC(C)=O)C2)CC1 1767935514 DYNLDXPCNGAUHR-OAQYLSRUSA-N 495.584 2.312 30 10 JEEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccc(N(C)C)cc1 1862608482 PAJNJBGALLYZNC-JOCHJYFZSA-N 465.506 2.238 30 10 JEEE C=CCN(CC=C)c1nc(=NCCc2ccc(S(N)(=O)=O)cc2)[nH]c(=Nc2cccc(C)c2)[nH]1 1871651884 MYJSNMXLOWDOPI-UHFFFAOYSA-N 479.610 2.248 30 10 JEEE COCCN1CC(=O)C(c2nc(C)cs2)=C1NC(=O)[C@H]1CC(=O)N([C@H](C)c2ccccc2)C1 1873710502 HRNCVNGVSMPGEK-AEFFLSMTSA-N 468.579 2.377 30 10 JEEE CCCNC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1ccc(C(=O)OC)cc1 1874338270 OHUGLGWEEKRKJR-SAMQYFKISA-N 486.598 2.290 30 10 JEEE CC(C)N1C(=O)CS[C@H](C(=O)N2CCC(N3CCN(C)C3=O)CC2)[C@@H]1c1ccc(C#N)cc1 1889950230 VPELJNQEXBORNP-VXKWHMMOSA-N 469.611 2.310 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2180985337 ONTTUGYHKUVGFT-RTBURBONSA-N 460.380 2.015 30 10 JEEE CC(C)(C)OC(=O)N[C@]1(C(=O)NCCc2cccc(B3OC(C)(C)C(C)(C)O3)c2)C[C@H](O)C1 2193526267 MNBKODYFJXIJAJ-OWWJJEGGSA-N 460.380 2.063 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)[C@@H](O)C1 2255704897 NSMWTLNDANJWJT-GJZGRUSLSA-N 452.382 2.147 30 10 JEEE Cn1cc(C(=O)N[C@@]2(C)CCN(C(=O)OCc3ccccc3)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2255830884 MDAUMHRDUDPMOT-DEOSSOPVSA-N 468.363 2.250 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@H](CCN=c2[nH]ccc(B3OC(C)(C)C(C)(C)O3)c2F)C1 2266056828 INIUKKHWCCCIFY-HNNXBMFYSA-N 451.348 2.380 30 10 JEEE CCO[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1NC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2267153427 BOQMUPKDOLYHOL-KFWWJZLASA-N 467.397 2.243 30 10 JEEE CN(C(=O)OC(C)(C)C)C1CN(S(=O)(=O)c2ccc(F)c(B3OC(C)(C)C(C)(C)O3)c2)C1 2267468467 VVWAZKYAEBHXAZ-UHFFFAOYSA-N 470.372 2.365 30 10 JEEE Cc1c(C(=O)N[C@@H](C)CCN(C)C(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2267505555 KBMQDCLWFSJHDP-AWEZNQCLSA-N 450.389 2.403 30 10 JEEE CC1(C)OB(c2ccccc2CS(=O)(=O)N(CCC(N)=O)Cc2ccccc2)OC1(C)C 2267724016 CKKVCTJEBHJYQY-UHFFFAOYSA-N 458.389 2.193 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H]1C(=O)Nc1nc(B2OC(C)(C)C(C)(C)O2)ccc1Cl 2268633708 DNWRWCBGMDGCBK-GXTWGEPZSA-N 467.759 2.343 30 10 JEEE CO[C@@H](CNC(=O)OC(C)(C)C)CC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2268655128 IDUVBEFZHVTHSJ-CQSZACIVSA-N 453.320 2.388 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@](O)(CC(=O)NCc2sccc2B2OC(C)(C)C(C)(C)O2)C1 2268716337 FEBJIOPREQJHAW-JOCHJYFZSA-N 466.409 2.426 30 10 JEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CCOc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)C1 2280704670 DSXCGSBNZJJWIK-QGZVFWFLSA-N 482.408 2.184 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC(N(C)C(=O)OC(C)(C)C)CC1 2281998976 APOXKVDKTNCSOV-UHFFFAOYSA-N 462.400 2.499 30 10 JEEE CC1(C)OB(c2cc(C(=O)NC[C@@]34CN(Cc5ccccc5)C[C@@H]3CCO4)ns2)OC1(C)C 2282005555 QDWQZYZQUHWKPJ-MHECFPHRSA-N 469.416 2.463 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C12CCC2 2282026087 WWIJJIYABPTPLL-JKSUJKDBSA-N 458.368 2.342 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@]23CC[C@@H]2CN(C(=O)OC(C)(C)C)C3)n1 2282040709 MOUZEDMSLGBYRK-CMJOXMDJSA-N 460.384 2.096 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)cs3)C[C@@H]2[C@@H]1CO 2282059124 FBPNWZNALJQKRC-XIRDDKMYSA-N 478.420 2.347 30 10 JEEE CO[C@@H]1C[C@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cn2C)N(C(=O)OC(C)(C)C)C1 2282176472 UFUHCBMRHCMTDN-IAGOWNOFSA-N 463.384 2.079 30 10 JEEE C=C(CS(=O)(=O)N1C[C@H]2[C@@H]3CC[C@@H](CN3C(=O)C(F)(F)F)[C@H]2C1)B1OC(C)(C)C(C)(C)O1 2282491830 MPXPOUXYOBXVDP-JJXSEGSLSA-N 478.342 2.235 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N[C@H]2CN(Cc3ccccc3)C(C)(C)C2)n1 2282497264 NQKOEOPXYZETES-GOSISDBHSA-N 474.436 2.051 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H]3CN(Cc4ccccc4)C[C@]3(C)C2)n1 2282543805 LUHBQWUQEAYGHY-UQBPGWFLSA-N 450.392 2.313 30 10 JEEE Cn1nc(C(=O)N[C@@]23CCC[C@H]2N(C(=O)OC(C)(C)C)CC3)cc1B1OC(C)(C)C(C)(C)O1 2282623257 DDDOBHXVUAFAHK-WAIKUNEKSA-N 460.384 2.381 30 10 JEEE CC(C)(C)OC(=O)N1CCN([S@@](C)(=O)=NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)CC1 2282641209 XQTVUHSWLLPMJD-XIFFEERXSA-N 482.412 2.020 30 10 JEEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(S(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282829439 DYCAGURSRXCLLG-HZPDHXFCSA-N 481.424 2.305 30 10 JEEE C[C@H]1CCN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1CNC(=O)OC(C)(C)C 2283059500 IOHOZVCGCCLZHP-HOTGVXAUSA-N 460.384 2.399 30 10 JEEE CC(C)(C)OC(=O)NCCOCCOCCC(=O)N1C[C@H]2C(B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2283453081 CUWCJWFCOBKSND-IAGOWNOFSA-N 468.400 2.485 30 10 JEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCCN(CC(=O)O)Cc1ccccc1 2284400047 RBFQBCUKXQAANS-UHFFFAOYSA-N 494.444 2.221 30 10 JEEE Cc1cc(CNC(=O)[C@@H]2COC[C@H]2NC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2289465668 DIIDCPYMFYPYRI-IEBWSBKVSA-N 460.380 2.450 30 10 JEEE CN[C@H](C#Cc1cccc(Br)c1)[C@@H](NC(=O)OC(C)(C)C)C1CS(=O)(=O)C1 2296272475 JRCSSCFWBAEMHT-SJORKVTESA-N 457.390 2.327 30 10 JEEE CN(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C)[C@@H]1CC[C@H]1NC(=O)OCc1ccccc1 2315536896 OAVCAKUIBWQKAI-QZTJIDSGSA-N 468.363 2.249 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCC(CNC(=O)OC(C)(C)C)CC2)n1C 2362492744 NPNIOOBNJWMNLB-UHFFFAOYSA-N 462.400 2.405 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)[C@H]2CCC[C@@H]21 2367686610 HXVLRIYLGKYWTJ-IRXDYDNUSA-N 458.368 2.390 30 10 JEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCCCn2cnc3ccccc32)CC1 58436591 CPPJFUXZXWVJIV-UHFFFAOYSA-N 452.540 2.014 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)C1CCN(c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CC1 204863597 IAANXJKJERLOTR-INIZCTEOSA-N 489.426 2.116 30 10 JEEE C=CCNS(=O)(=O)c1cccc(C(=O)NC2CCN(C(=O)c3ccc(OC)cc3OC)CC2)c1 515036164 RGCDQWPDMMQVPT-UHFFFAOYSA-N 487.578 2.203 30 10 JEEE CNS(=O)(=O)c1ccccc1N1CCN(CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 556327549 ZMJQXBPADQCWOL-UHFFFAOYSA-N 461.975 2.271 30 10 JEEE C[C@H](C(=O)N[C@H]1CCNC[C@@H]1C(=O)/C=C/c1ccc([N+](=O)[O-])s1)N1C(=O)c2ccccc2C1=O 585830729 CPGMXTFFJTXSNN-JLMNQDSSSA-N 482.518 2.018 30 10 JEEE C#CCNC(=O)CN1CCN(C(=O)[C@@H]2C[C@H]3CCCC[C@@H]3N2C(=O)c2ccc(Cl)cc2)CC1 728530695 NMGPHPLYLKVFHT-HJNYFJLDSA-N 471.001 2.007 30 10 JEEE Cc1ccc(F)c(-n2c(=C(C#N)C(=O)NCC(C)C)sc(=Cc3cnn4ccccc34)c2=O)c1 729668627 BGBJUXJXYJZYTK-UHFFFAOYSA-N 475.549 2.270 30 10 JEEE Cc1ccc(C=NNc2nnc(SCCC(=O)NCc3ccc4c(c3)OCO4)n2N)cc1 1084576169 ZNKVMTGKPKNMAB-UHFFFAOYSA-N 453.528 2.274 30 10 JEEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)CC1 1215269475 BODKLDZDDOCPDM-UHFFFAOYSA-N 459.484 2.004 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OCCC)c(OC)c2)n1CC1(C(N)=O)CCOCC1 1286282544 NYWPOIJCULJLKV-KRWDZBQOSA-N 455.559 2.483 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1(OCCOC)CCOCC1 1286299642 XROYEHCTZSMTOH-FQEVSTJZSA-N 483.617 2.122 30 10 JEEE C#CCN(CC)c1nnc(-c2cc(OC)ccc2Br)n1CCN1CCCS1(=O)=O 1286438580 ZINPKIQZQIOHRF-UHFFFAOYSA-N 482.404 2.211 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@H](C)CN2CCOCC2)CC1 1286483934 ASIDIQKCOICDAY-NRFANRHFSA-N 466.630 2.197 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCN2CCC[C@@H](C)C2)CC1 1286486694 AKFQLSLSGWZEOA-RLWLMLJZSA-N 486.661 2.016 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCc2n[nH]c(C)n2)CC1 1286488667 QGUOZRAGBUSODA-UHFFFAOYSA-N 484.511 2.182 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1286493590 HQLITEUUEMGGIO-HXUWFJFHSA-N 468.627 2.155 30 10 JEEE C#CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1286495900 HXIFOTICAUEJDR-HXUWFJFHSA-N 484.029 2.404 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)c2ccsc2)CC1 1286550051 YWOINWQPDPKOPA-HKUYNNGSSA-N 472.615 2.421 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCO[C@@H](Cn2cccn2)C1 1286779545 JHSCEOUCFUOFKD-LEWJYISDSA-N 479.585 2.439 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1286782405 SYCPOOWHSWUYQJ-SFHVURJKSA-N 454.575 2.245 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2CCNc2nccc(C(F)(F)F)n2)C1 1286807521 CXUPVSLDNJKBHY-CQSZACIVSA-N 461.452 2.437 30 10 JEEE C[C@H](CC#N)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1CCCN1CCCO 1288517984 HPBWNLJRMNZYRF-TZIWHRDSSA-N 467.622 2.037 30 10 JEEE CCS(=O)(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(F)cn2)CC1 1297756048 CLPAHKPYHJKAQE-UHFFFAOYSA-N 499.572 2.219 30 10 JEEE CNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2(COC)CCOCC2)C1 1299073419 GUBPHIYLNIYVJX-FQEVSTJZSA-N 452.559 2.222 30 10 JEEE C#CCCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(C(=O)NCCOC)CC1 1300352621 NNPXSQGJMGKNRG-UHFFFAOYSA-N 467.570 2.499 30 10 JEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(N2CCOCC2)cc1 1300408631 BXQHJLBPQDOVPR-FQEVSTJZSA-N 457.600 2.067 30 10 JEEE C#CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CCCCS1(=O)=O 1300458098 MVDDAICCVASJIQ-QZTJIDSGSA-N 465.620 2.429 30 10 JEEE C#CCN(C)c1nnc(Cc2ccncc2)n1C[C@@H]1C[C@@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1300466979 BZIHLCOUOINXCL-HSALFYBXSA-N 452.559 2.358 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccc(F)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 1300496539 SBPNAJJQWVSPCU-JKSUJKDBSA-N 452.939 2.250 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H]1CCCS(=O)(=O)C1 1300574639 DYDPNPCGYKJXNP-HXUWFJFHSA-N 462.579 2.419 30 10 JEEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2CCNC(=O)OC(C)(C)C)CC1 1300706101 IJAHAQDAHFXDLI-UHFFFAOYSA-N 454.575 2.180 30 10 JEEE C#CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(CC(N)=O)CC1 1300756475 OBUWXZFYLUZEDL-UHFFFAOYSA-N 451.556 2.052 30 10 JEEE C=C(Br)Cn1c(N2CCC[C@H](OCCOC)C2)nnc1[C@@]1(OCC)CCOC1 1300862686 CFFPRLLTDKZOJL-QFBILLFUSA-N 459.385 2.471 30 10 JEEE C=C(C)COCCn1c(-c2ccc3ccccc3n2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1300979938 AKGCECDJUXDLEH-WIYYLYMNSA-N 451.527 2.446 30 10 JEEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1300983776 PNAVUJRZKBLRII-SFHVURJKSA-N 461.567 2.001 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)c2nccs2)CC1 1301123836 FHRWHSINVYYFAA-RDJZCZTQSA-N 466.633 2.274 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2cc(C)no2)CC1 1301151086 IOSGANPHSUWNHS-SFHVURJKSA-N 462.620 2.401 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCO2)n1CC1(O)CCS(=O)(=O)CC1 1301354440 AEDGFQHMTAESNO-LJQANCHMSA-N 464.563 2.401 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(Cc2cscn2)CC1 1301492450 IRXBDKOXSZGKLY-UHFFFAOYSA-N 483.598 2.043 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C1Cc2ccccc2C1 1301503248 XCISHARBXBQPLC-NRFANRHFSA-N 496.612 2.492 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1301579180 PBXCLMGPKOTEQB-UHFFFAOYSA-N 484.582 2.113 30 10 JEEE COCCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(N2CCCCCC2)nc1 1301806403 GELBLTLHWNZPEU-HXUWFJFHSA-N 466.590 2.419 30 10 JEEE N#C[C@H]1CN(c2nnc(CN3CCCC3=O)n2CCc2ccc(OC(F)(F)F)cc2)CCO1 1303009051 DBLUUJIJDLKKST-KRWDZBQOSA-N 464.448 2.271 30 10 JEEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2cccc(F)c2F)C1 1303939166 ACQUDEQKGQAFIR-PGRDOPGGSA-N 494.568 2.262 30 10 JEEE CCc1nn(C)c(OC)c1Cn1c(CN2CCCC2=O)nnc1N(C)Cc1cccc(C#N)c1 1306050848 DQDAPTVWOIFICG-UHFFFAOYSA-N 462.558 2.261 30 10 JEEE CCCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)C(=O)NC)CC1 1313476503 HUPZFVDCSNYOIR-UHFFFAOYSA-N 481.601 2.244 30 10 JEEE CCNC(=O)C(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)OCC)CC1 1313972186 HJLGSPXZDFNWBY-UHFFFAOYSA-N 483.573 2.170 30 10 JEEE COc1cc(OC)cc(-c2nnc(N3CCC(C#N)CC3)n2C[C@H]2CCCN2S(C)(=O)=O)c1 1315342333 ALIXWOZONUDVDO-GOSISDBHSA-N 474.587 2.126 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1CCCCN1CCCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1358961161 SJZAKBRHGGGCLE-UXHICEINSA-N 471.631 2.016 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H](c1ccsc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1358967701 QIWJEZOLORKFDW-GUDVDZBRSA-N 463.629 2.121 30 10 JEEE C#CCN(CC#C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCC[C@@H]1NC(=O)NC1=O 1358971151 JRAPZVLSSGOIQT-SFHVURJKSA-N 473.562 2.438 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC2(N(C)C)CCOCC2)CC1 1359042730 RMYFBKRIDUAVCZ-UHFFFAOYSA-N 486.020 2.070 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCSCc2ccccc2)CC1 1359047256 XWQJEJRAUSVUII-UHFFFAOYSA-N 480.638 2.300 30 10 JEEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 1359054053 ILYNDBVOCLFDIN-SFHVURJKSA-N 462.645 2.470 30 10 JEEE C=C(Br)Cn1c(Cc2c[nH]c3ccccc23)nnc1N(C)CCNS(C)(=O)=O 1359085961 FTDLKXYUFFYUGI-UHFFFAOYSA-N 467.393 2.244 30 10 JEEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(N2CCCNC2=O)CC1 1359089116 BSISZNXSDMYGJT-RDJZCZTQSA-N 483.411 2.295 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CCOC)C(=O)C1 1359102747 FIVNLIDOTBWBQZ-GBXCKJPGSA-N 480.569 2.005 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CCOC)C(=O)C1 1359102749 FIVNLIDOTBWBQZ-RDPSFJRHSA-N 480.569 2.005 30 10 JEEE C=C(C)COCCn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1359130845 XUXKNUQDWUZARO-UHFFFAOYSA-N 489.020 2.172 30 10 JEEE C=CCC(C)(C)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@H](C(N)=O)C1 1359184426 OYWXJJMJFRCDIG-INIZCTEOSA-N 459.620 2.461 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCCCS1(=O)=O 1359257069 YHEAFJDCAMZEKG-PMACEKPBSA-N 468.583 2.261 30 10 JEEE CC(=O)N1CCN([C@@H]2CN(c3nnc(COc4ccc(C#N)cc4)n3CC(F)(F)F)C[C@@H]2C)CC1 1359398961 IGHKYJILKSMNIT-OXJNMPFZSA-N 491.518 2.280 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC1CCCCC1 1360704464 HJEFHGAYPCIDIK-QGZVFWFLSA-N 472.619 2.062 30 10 JEEE C=C(C)C[C@H](NS(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1OC)C(=O)OC 1464253765 CYHAFQNTIIVOEJ-NSHDSACASA-N 451.295 2.460 30 10 JEEE CCOC(=O)c1c(NC(=O)N2CC[C@@H]3CN(C(=O)C(F)(F)F)C[C@@H]3C2)c(C#N)cn1CC 1476762386 GLOSOUQRUIOLOC-OCCSQVGLSA-N 455.437 2.431 30 10 JEEE Cc1cccc([C@H](CNC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)N2CCOCC2)c1 1477283261 BTLBVXVSDRIESA-HKBOAZHASA-N 457.575 2.427 30 10 JEEE COc1ccc(-c2nnc(N(C)[C@@H](C)CC#N)n2CCS(C)(=O)=O)cc1Br 1504155304 GHESHLIMXJIFQB-LBPRGKRZSA-N 456.366 2.499 30 10 JEEE N#C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2Cc2cc(Br)cs2)CCO1 1505321141 IAMFSBSSCPCEFX-CYBMUJFWSA-N 451.350 2.115 30 10 JEEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 1507572383 HWHWOSSEYUETMI-RTWAWAEBSA-N 492.628 2.156 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1CC(=O)NC1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1507629513 NCVFAWWXASDJQN-LJQANCHMSA-N 485.610 2.029 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1CCN1CCCCCC1)[C@@H]1CCS(=O)(=O)C1 1507636037 XMUXBOQDKHNDGE-HXUWFJFHSA-N 461.657 2.433 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2ccc(OC)nc2)CC1 1507734756 WUVCDBPVFZKGKU-UHFFFAOYSA-N 475.509 2.271 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(N2CCOCC2)c1 1507820518 FZSPPSXZGBNBRL-HXUWFJFHSA-N 459.616 2.468 30 10 JEEE C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1507824061 PVCBKTJUMHLVAV-UHFFFAOYSA-N 452.607 2.496 30 10 JEEE C=C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCN2CCSCC2)CC1 1507877508 JEKGFRXJKJNKEP-UHFFFAOYSA-N 476.672 2.401 30 10 JEEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1508061290 NIJIJPPCVHWCFT-QGZVFWFLSA-N 485.593 2.111 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1508092950 SQYGWLOARVBSHX-XLIONFOSSA-N 482.585 2.224 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1508135013 CRIABXPOTAVCBM-SFHVURJKSA-N 489.598 2.016 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CC(F)(F)F 1508145603 NHSLFKVNJJYSHM-CQSZACIVSA-N 497.540 2.186 30 10 JEEE C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1)N(C)C1CC1 1510016688 AZISYEXQRUWGPF-KRWDZBQOSA-N 471.631 2.160 30 10 JEEE Cc1nc(N2CCOCC2)sc1-c1nnc(N(C)C[C@H](C)C#N)n1C[C@@H](C1CC1)N(C)C 1510424315 AGODQQTVVZAZQK-QAPCUYQASA-N 458.636 2.483 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(OC)ccc1OC(F)F 1538975077 XJRHPJSGXCCGIV-OLZOCXBDSA-N 457.503 2.005 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CCCn1cc(Br)cn1 1538975966 GBKKGKLUWQRRES-HNAYVOBHSA-N 451.369 2.437 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1539029374 IBKQFCJIIZNFOC-NVXWUHKLSA-N 484.548 2.381 30 10 JEEE C#CCCCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)Cc2cccc(OC)c2)CC1 1539119698 MKANXMKLIBGFDG-NRFANRHFSA-N 451.571 2.485 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CCc1nccs1)[C@@H]1CCS(=O)(=O)C1 1539229702 HIXQEGCJIJAVPR-GOSISDBHSA-N 482.591 2.055 30 10 JEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)c2ccsc2)CC1 1539513306 IFJCEPCQJHULDY-QGZVFWFLSA-N 458.613 2.056 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN2CCOC[C@H]2C1 1539759424 HLJOYQZWNLCSHT-UXHICEINSA-N 476.622 2.464 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC1(O)CCOCC1 1540129708 XGOINHXYHBPNFF-OAQYLSRUSA-N 485.610 2.176 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)N2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1540134101 SAZAOOCPTWDOQV-XTQSDGFTSA-N 493.543 2.372 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCC(N3CCCNC3=O)CC2)cc1 1540877397 UBJVWUADRBCENQ-UHFFFAOYSA-N 481.601 2.414 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](c2ccc(F)cc2)O[C@H](C)C1 1540897419 ITKYWKHZVOLUJK-YLJYHZDGSA-N 491.589 2.220 30 10 JEEE Cc1cccnc1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1542790425 GTHSKCGYPUZHQK-FQEVSTJZSA-N 495.609 2.246 30 10 JEEE CCN(c1nnc(COc2ccc(C#N)cc2)n1CCc1nccs1)[C@H]1CCS(=O)(=O)C1 1547384397 ACNCJKAAEWIVAF-KRWDZBQOSA-N 472.596 2.441 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(F)cc2Br)n1CCN1CCN(C(C)=O)CC1 1587599478 NWRKAXUXGWNNDA-OAHLLOKOSA-N 477.382 2.469 30 10 JEEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1587782741 AUAOTKYQWHNCCY-UHFFFAOYSA-N 477.617 2.323 30 10 JEEE C#CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1587945512 LXRJWCNHMXUWBH-AWEZNQCLSA-N 482.404 2.067 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CC(C)(C)N1CCC(OC)CC1)[C@@H]1CCS(=O)(=O)C1 1588041549 XSQJKWPCVBNNFQ-LJQANCHMSA-N 489.642 2.363 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)SC 1588550124 ITUNQBUAUVYNGY-LPHOPBHVSA-N 481.619 2.141 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(N(C)C)CCSC2)CC1 1588908872 XUTCRCDHBRPOJF-VWLOTQADSA-N 477.638 2.220 30 10 JEEE C=C(Br)Cn1c(-c2ccc(OC)cc2)nnc1N(C)CC(=O)N1CCOCC1 1589346973 ABIWLSFNPDREPP-UHFFFAOYSA-N 450.337 2.157 30 10 JEEE C=C(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1589700889 CEFLGTKEYSGZOW-SFHVURJKSA-N 488.036 2.474 30 10 JEEE C=CCCCCn1c(CCCc2ccccc2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1594644417 BFIJTHSCOFZRLL-UHFFFAOYSA-N 494.640 2.317 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCOC[C@@H]1C 1595075765 KOCOCYJTFPRNEY-PZJWPPBQSA-N 489.642 2.102 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc3ccccc3o2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1595496924 LDYOTWCFJXBIBA-HNNXBMFYSA-N 476.459 2.498 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 1595784553 ITDQJBXEYZYAJL-INIZCTEOSA-N 464.592 2.368 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CCN(CC)[C@@H](C)C1 1595831612 UQCVAPRFAFUGQL-KRWDZBQOSA-N 451.568 2.127 30 10 JEEE COc1ccc(CCc2nnc(N3CCN(c4nccnc4C#N)C[C@@H]3C)n2C[C@@H](C)OC)cc1 1619238547 BKYRBVUPTKFPDB-RBUKOAKNSA-N 476.585 2.484 30 10 JEEE N#Cc1cccc(-c2nnc(N3CC[C@H](C(=O)NCC(F)(F)F)C3)n2CCCN2CCOCC2)c1 1620347686 ADWNTUNWXZPLPY-IBGZPJMESA-N 491.518 2.044 30 10 JEEE Cc1ccc(S(=O)(=O)NC[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3C#N)C2)cc1 1621726692 BJMDMZDXLWTXNH-INIZCTEOSA-N 451.545 2.385 30 10 JEEE COc1ccccc1-c1csc([C@@H]2CCCN(C(=O)Cn3cc(C#N)c(O)nc3=O)C2)n1 1626713198 DREKUDUWUVQCBO-CQSZACIVSA-N 451.508 2.359 30 10 JEEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(OCc3cccc(C)c3)cc2C)CC1 1668947053 YPDQNYVXNYXJHN-UHFFFAOYSA-N 456.568 2.500 30 10 JEEE CC(C)(C)OC(=O)[C@H]1CC(=O)N(C2CCN(C(=O)NCc3cccc(OCC#N)c3)CC2)C1 1677445272 GLUBHVCAIAEYTI-SFHVURJKSA-N 456.543 2.453 30 10 JEEE C#CCCCCn1c(Cc2ccccn2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1689897897 LLXZXSZIEBVPNT-DEOSSOPVSA-N 457.582 2.416 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@@](C)(OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1689984784 VMCAGEJTZLOJJB-WMZHIEFXSA-N 458.584 2.396 30 10 JEEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1ccc(N2CCSCC2)cc1 1690106270 PKIOAZPBQDEKQU-UHFFFAOYSA-N 468.627 2.088 30 10 JEEE C#CCN1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CCCCOC(C)C)CC1 1690120579 ZOVSSQWUXRXRLG-UHFFFAOYSA-N 473.647 2.199 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)NCCCC)CC1 1690245829 NKGPOHOIICJOPS-HBMCJLEFSA-N 493.674 2.294 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCO[C@H](C(C)C)C1 1690669116 UYQQOABOBODABB-FQEVSTJZSA-N 479.585 2.399 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1690675405 ZOCZHZDTEUNPOD-UHFFFAOYSA-N 494.600 2.180 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@]2(C)OCCc3sccc32)C1 1690686194 KOTPQLHVFZMUAH-ZOCZFRKYSA-N 481.644 2.219 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(CCc2cccs2)CC1 1690722382 HOHWMPCYVGTHRA-UHFFFAOYSA-N 472.640 2.367 30 10 JEEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCN1CCCC[C@@H]1CC 1696336200 DZRBGNQRCXYRGG-PMACEKPBSA-N 467.622 2.456 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CC1(O)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1705560126 DIJXVRPMFNNYRW-LJQANCHMSA-N 458.584 2.276 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1Cc1nccn1C(F)F)[C@H]1CCS(=O)(=O)C1 1705571033 UZPBTBLDEFLADI-KRWDZBQOSA-N 490.536 2.144 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1705629007 VEHPBVGLPXLGQC-GOTSBHOMSA-N 453.587 2.159 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnccn3)n2CC2C[C@H](C)O[C@@H](C)C2)n1 1705631752 PCNPNLXWPFRHNJ-OALUTQOASA-N 464.574 2.421 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H](C)CN2CCN(CC)CC2)CC1 1705636336 GIOUWUNXWDVUHI-HXUWFJFHSA-N 471.053 2.022 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@H]2CCOC[C@@H]2OC)CC1 1705651418 WHEXQVFEGVPCQT-VWNXMTODSA-N 495.624 2.491 30 10 JEEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](O)(c2ccc(F)cc2)C1 1705805144 ACMWAJXOJJXVLO-OFNKIYASSA-N 493.605 2.204 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc(C)c(C)c2)CC1 1705927659 CYXGDCALOQSJJG-UHFFFAOYSA-N 486.642 2.058 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(CCc2cccs2)CC1 1705936484 RNIZVQZRAUINKI-LJQANCHMSA-N 479.672 2.199 30 10 JEEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(Cl)c2c(c1)OCCO2 1706746498 BOOUKEIOVQMLLC-HIFRSBDPSA-N 465.963 2.391 30 10 JEEE CCNC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC[C@H]2C)CC1 1710332942 BPSFPAJKWLUPFH-TZIWHRDSSA-N 465.602 2.423 30 10 JEEE COCCn1cc(Cn2c(CCc3ccc(OC)cc3)nnc2N2CC[C@](F)(C#N)C2)cn1 1712465794 BDAPDAYNBGHXBY-QHCPKHFHSA-N 453.522 2.405 30 10 JEEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC2CCN(CC(F)(F)F)CC2)C1 1712875740 GYPUDJNDNOMCIC-VQIMIIECSA-N 492.543 2.287 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CCN(C)C(=O)OC(C)(C)C 1722386974 DDFYTQBRPFFHRP-UHFFFAOYSA-N 451.531 2.255 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1nc(C)cs1 1722417329 DHHBIPDZKGGVCM-HNNXBMFYSA-N 462.576 2.480 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2)n1CCN/C(O)=C1\N=CC=CC1=O 1722420194 HTZSHGKLMPZWIN-XUTLUUPISA-N 454.918 2.211 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCCCN2CCCC[C@@H]2C)CC1 1722432892 IGNZPSYJZZPMJB-WIOPSUGQSA-N 458.651 2.340 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@](C)(O)CC)CC1 1722443031 MPSOJPMQKQKHJZ-RUZDIDTESA-N 469.586 2.479 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCc2ccn(C)n2)CC1 1722444585 LCUZWXNUMWXPCE-SFHVURJKSA-N 479.560 2.499 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2Cc2cccc(C(=O)N(C)C)c2)CC1 1722445059 KLBOMFLEEDHTFI-UHFFFAOYSA-N 471.565 2.056 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CC(F)(F)F)CC1 1722445903 DVIWJDWASBZSKT-UHFFFAOYSA-N 459.432 2.122 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1722492826 DOJTXGCZMPOBDI-HBMCJLEFSA-N 472.634 2.484 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](Oc2ncccc2F)C1 1722536326 DGQDIRRBDUXDSJ-ROUUACIJSA-N 479.578 2.355 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(-n2nc(C)cc2C)nc1 1722679581 GIAQSMVDTHYOHK-IBGZPJMESA-N 450.547 2.114 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1722693072 CQWLAXBZRBTTEJ-GOSISDBHSA-N 475.615 2.435 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC(=O)NCc2ccco2)C1 1722714758 LEOSVICEGVUGJT-LJQANCHMSA-N 485.566 2.039 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCN2CCCS2(=O)=O)C1 1722720818 AUNKEMDRGKCREE-LJQANCHMSA-N 482.006 2.327 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](c2ccc(CC)cc2)C1 1722728153 QTNNBLDCKPFYSD-OAQYLSRUSA-N 470.599 2.420 30 10 JEEE C=CCSCCn1c(-c2noc3c2COCC3)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1722737945 WZDUTTGFKCYTBQ-KGLIPLIRSA-N 455.606 2.183 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccc(OC2CCCC2)nc1 1723932765 CLXIJKGWMFGTTQ-BTYIYWSLSA-N 477.566 2.095 30 10 JEEE Cn1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@H](C(=O)NCC(F)(F)F)C2)cn1 1729576059 GZQDEPFMAAEMEQ-QGZVFWFLSA-N 458.448 2.103 30 10 JEEE COCCN1C[C@H](Cn2c([C@H](C)Oc3cccc(C)c3C)nnc2N2CCO[C@@H](C#N)C2)CC1=O 1730776139 FUBXWERKKPVEGK-HBMCJLEFSA-N 482.585 2.259 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@](C)(OC)C2CC2)c1 1740564707 VMVHSLBFSJIWGU-MHECFPHRSA-N 485.610 2.052 30 10 JEEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H]1CN(CC(C)C)CCO1 1740610133 ZLZOSJNSXDBTBE-IBGZPJMESA-N 463.586 2.101 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1CC1(O)CCCCC1)[C@H]1CCS(=O)(=O)C1 1740619566 PHBRLBWSAGFLMM-IBGZPJMESA-N 488.610 2.284 30 10 JEEE C#CCN(c1nnc(-c2ccc3ccccc3n2)n1C[C@@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1740619582 KLJADFDUQFKUNB-IEBWSBKVSA-N 452.584 2.070 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1CC1([S@](C)=O)CCC1 1740680581 HQHKXBWBASUIHJ-MHZLTWQESA-N 454.394 2.423 30 10 JEEE C#CCSCCn1c(-c2ccc3ccccc3n2)nnc1N1CCN(CC(=O)N(C)C)CC1 1740714185 SLDBLNQSEVPAAC-UHFFFAOYSA-N 463.611 2.070 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC(=O)NCC(F)F 1740735005 INWMIFILVICURP-ZCCHDVMBSA-N 466.533 2.422 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1740759323 IOYMWVXCYGNBII-NZQKXSOJSA-N 488.658 2.495 30 10 JEEE C=C(C)COCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1740789837 LMBYTTDKKWGRNZ-SFHVURJKSA-N 491.614 2.374 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCOCC(C)C)CC1 1740839280 IACGOSVNQSBVMT-IBGZPJMESA-N 455.625 2.076 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(-n2ccnc2)c(F)c1 1740941838 UODRJKGCBZYWIE-SFHVURJKSA-N 474.562 2.192 30 10 JEEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1740949249 BLKLVUFKNYTIED-IBGZPJMESA-N 473.622 2.281 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N(C)C1CCN(C(=O)c2ccccc2)CC1 1740957609 UIPBSJFNORLBOU-UHFFFAOYSA-N 459.554 2.383 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1740988546 IRJZKTVHNMFCMW-QGZVFWFLSA-N 495.049 2.284 30 10 JEEE CN(C)C(=O)CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC2(O)CCOCC2)CC1 1747526734 GHMBSBCQNQQRHB-UHFFFAOYSA-N 466.586 2.443 30 10 JEEE C#CCN(c1nnc(C)n1C[C@H]1CC2(CC2)CN1C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1748805372 QOPOXRWYWNIFKK-QZTJIDSGSA-N 463.604 2.003 30 10 JEEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(CC)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1748805810 WMYHADZOIMRTPD-HYBUGGRVSA-N 494.658 2.152 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H](c1ccccc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1748811017 AAKKVERSBVGQMC-RBBKRZOGSA-N 464.595 2.270 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@](C)(O)CCC(C)C)[C@H]1CCS(=O)(=O)C1 1748814221 BEVQBSMGRFKXIJ-IPJJNNNSSA-N 452.621 2.334 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC1(O)CCOCC1 1748886794 MAVZRLHISIHVNK-UHFFFAOYSA-N 474.565 2.240 30 10 JEEE C#CCN(CC#CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@]1(O)CCOC1 1748890515 PJZQMWNNZBPFBJ-XMMPIXPASA-N 457.575 2.007 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccc(C)cc1)N(C)C 1748891701 DOIAQBBCCOMNEJ-FCHUYYIVSA-N 453.612 2.254 30 10 JEEE C#CCN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(NC(=O)OC(C)(C)C)COC1 1748907901 PGFQUHYAGDOCSK-QHCPKHFHSA-N 463.579 2.072 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H](CCC)OC)CC1 1748972051 AROCHIIWYAOAJI-HXUWFJFHSA-N 458.994 2.432 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3c[nH]c4ccccc34)n2CCC(=O)NC(C)C)CC1 1749009286 OBYWCZDFWHKTTG-UHFFFAOYSA-N 461.570 2.307 30 10 JEEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1749024476 RRERZSWHQBHEBK-BSRJHKFKSA-N 490.651 2.488 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C)cc2)nnc1N1CCN(CCOC)C(=O)C1 1749135932 JRYVOTXQACXPJD-YKSBVNFPSA-N 469.586 2.442 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCN(CC(C)C)C1 1749159809 ZFQQCKWHUFRDHF-LEWJYISDSA-N 482.695 2.381 30 10 JEEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1749234542 HFRGNYYJBATJAS-KRWDZBQOSA-N 469.512 2.237 30 10 JEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)c2c(F)cccc2F)CC1 1749235551 UDXIISFSZZLWEO-UHFFFAOYSA-N 488.539 2.234 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCN(c2ccccc2)CC1 1749683222 MIYMAZRLMXUKLO-UGKGYDQZSA-N 454.575 2.021 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1749727653 ZNNISKCVAPAIRN-JOCHJYFZSA-N 472.659 2.151 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Br)nnc1N1CCC[C@@H](NC(C)=O)C1 1749729878 VAWPVUPOQPUSOL-MRXNPFEDSA-N 496.431 2.413 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1CCc1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1760184444 IOARWJKMZRJMRR-GOSISDBHSA-N 469.567 2.428 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccn2C)n1CCN1CCCS1(=O)=O 1760240849 FUBHBSCJAWUAEL-UHFFFAOYSA-N 456.547 2.098 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCSCC(C)C)CC1 1760266967 CGOYZMAAXUDRIM-UHFFFAOYSA-N 493.641 2.276 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CC[C@H](OC)C(F)(F)F)CC1 1760270235 VAMOQXPZCJBNKP-SJORKVTESA-N 457.497 2.453 30 10 JEEE C#CCSCCn1c(C(C)C)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1760272501 MOPUNZUQKIPTIW-UHFFFAOYSA-N 454.647 2.044 30 10 JEEE C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1760342256 CVVQCODYMAPDKU-KRWDZBQOSA-N 476.423 2.365 30 10 JEEE C=CCCCn1c(-c2cnn(C)c2)nnc1N1C[C@@H](C(=O)OC)[C@H](CNC(=O)OC(C)(C)C)C1 1760435995 DGGQCSWPWKIJTR-SJLPKXTDSA-N 473.578 2.395 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N(C)Cc1c(C)noc1C 1760556859 RWCCORPTUGROAK-UHFFFAOYSA-N 469.571 2.359 30 10 JEEE CC(C)C(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1760858085 BIRFNYXLSKWSAZ-PMACEKPBSA-N 452.559 2.364 30 10 JEEE CCN1CCCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CCOC)CC1 1765464294 DVGCTNUHALUOIN-JOCHJYFZSA-N 467.618 2.372 30 10 JEEE CCNC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2CC(F)(F)C2)CC1 1765647307 APYCMMSXVFAJEY-UHFFFAOYSA-N 473.528 2.032 30 10 JEEE CCNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)N(CC)CC)CC1 1765664059 FQDWWFDXTCYHIH-LJQANCHMSA-N 468.606 2.311 30 10 JEEE CN(C)C(=O)CC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2ccn(C)n2)CC1 1766851676 BSZIUOLPZBNMRQ-UHFFFAOYSA-N 476.585 2.400 30 10 JEEE CS(=O)(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCn2cccn2)C1 1771346938 GWALKVLBGQKEJD-HXUWFJFHSA-N 469.571 2.029 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)COc2cccnc2NC(=O)N[C@H](C(=O)O)C(C)C)nc1C 1858792247 PJLOXJCGVJZRFV-HNNXBMFYSA-N 491.526 2.438 30 10 JEEE O=C(C1=C(O)C(=O)N(CCCN2CCOCC2)[C@H]1c1ccc(O)c(O)c1)c1ccc2c(c1)OCO2 1862627701 QWAQPJKQQFLBOC-QFIPXVFZSA-N 482.489 2.127 30 10 JEEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1862685560 ZKQZJZWAHHIAEO-JEOXALJRSA-N 458.398 2.464 30 10 JEEE COc1ccc(CCc2nnc(SCC(N)=O)n2/N=C/c2ccc3c(c2)OCCO3)cc1 1874306689 LBPSPKJGODSGOG-ZMOGYAJESA-N 453.524 2.303 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@H]2[C@@H]1[C@H]2C(=O)NCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2180981553 VOOOPXRNDXVWOO-CEXWTWQISA-N 458.364 2.236 30 10 JEEE CC1(C)OB(C#CCCNS(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)OC1(C)C 2244536887 OEONRKBDZZFMCL-UHFFFAOYSA-N 460.361 2.007 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]1NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2247952990 RAWPSLZAQNKCJL-JSGCOSHPSA-N 458.411 2.239 30 10 JEEE C[C@@H](CN(C)C(=O)c1nn(C)c(Cl)c1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2255655265 JZONZPNVORNKMI-LBPRGKRZSA-N 456.780 2.358 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2csc(B3OC(C)(C)C(C)(C)O3)c2)C1 2255847078 NIMPZPCMJGTHSD-LSDHHAIUSA-N 452.382 2.005 30 10 JEEE C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2256624671 OPKVGGSTIWRECF-DVOMOZLQSA-N 454.398 2.499 30 10 JEEE CC(C)(C)OC(=O)NC1(C(=O)NCc2ccc(B3OC(C)(C)C(C)(C)O3)s2)CC(O)C1 2256677960 JFAZUUJHIBHZPJ-UHFFFAOYSA-N 452.382 2.082 30 10 JEEE CC1(C)OB(c2cc(C(=O)N3CC(NC(=O)C(F)(F)F)C3)c(Cl)cc2F)OC1(C)C 2258098564 GFZAYYNGNDGEFE-UHFFFAOYSA-N 450.625 2.281 30 10 JEEE Cc1cc(C(=O)N[C@@]2(CO)CCN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2267149274 KICLARZQVDHTCH-QFIPXVFZSA-N 466.409 2.457 30 10 JEEE Cc1cc(C(=O)N2C[C@H](O)C[C@@H]2CNC(=O)OC(C)(C)C)sc1B1OC(C)(C)C(C)(C)O1 2267605599 WGNJZXXIOHNZQQ-HUUCEWRRSA-N 466.409 2.456 30 10 JEEE Cc1cc(S(=O)(=O)N2C[C@@H]3[C@H](C2)[C@@H]3NC(=O)OC(C)(C)C)sc1B1OC(C)(C)C(C)(C)O1 2267704482 OJGTTZMIZXOACV-MIFYACCESA-N 484.449 2.499 30 10 JEEE CO[C@H]1C[C@@H](C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)N(C(=O)OC(C)(C)C)C1 2268643095 JHFYFLZECITPER-ZFWWWQNUSA-N 467.397 2.083 30 10 JEEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)[C@@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C 2268648553 AKFCXSUCWVYVMQ-ZBFHGGJFSA-N 466.409 2.376 30 10 JEEE Cc1cc(C(=O)N=c2nc(CCNC(=O)OC(C)(C)C)[nH]s2)oc1B1OC(C)(C)C(C)(C)O1 2281971682 IVXCBUFKVDJOEA-UHFFFAOYSA-N 478.380 2.480 30 10 JEEE CC[C@@H]1CN(C(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)CC[C@@H]1NC(=O)OC(C)(C)C 2281975184 JHMFHABOQJSFBI-WBVHZDCISA-N 462.400 2.485 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)C1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)CC1 2281980385 JHZFFMITCNLXCM-HNNXBMFYSA-N 462.400 2.485 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@@](O)(CNC(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282184007 NEMXRIZWPPJINH-XMMPIXPASA-N 460.380 2.478 30 10 JEEE CC[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282534252 DUJKIZABUUOUOH-DOTOQJQBSA-N 462.400 2.485 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 2282534874 XVFVULOXOLOIHP-DOTOQJQBSA-N 460.384 2.191 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCC[C@]23CCN(C(=O)OC(C)(C)C)C3)n1 2282555125 OBCDVAOXOKXBPP-HSZRJFAPSA-N 460.384 2.335 30 10 JEEE CCCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@](C)(CO)NC(=O)OC(C)(C)C 2282562426 ZGHKMDDBQGWIGO-HSZRJFAPSA-N 465.400 2.203 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@]1(O)CCCN(C(=O)OC(C)(C)C)C1 2282597882 JKJCBIRKNKJIIP-QFIPXVFZSA-N 481.424 2.243 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C[C@H]1C(F)F 2283058435 DYLRWVBXWDPXSG-CHWSQXEVSA-N 468.310 2.006 30 10 JEEE CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2289799126 SYKOMYOGPXBHHR-ZDUSSCGKSA-N 483.396 2.320 30 10 JEEE C=CCc1cc(C=C2C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(OC)c1OCC(=O)O 2294095264 MKJTWEQZOKGWFK-UHFFFAOYSA-N 480.429 2.282 30 10 JEEE COc1ccc([C@H]2C(=C(O)c3c(C)nn(C)c3C)C(=O)C(=O)N2CCCN(C)C)cc1OC 2296618207 JQWMQYXDQDLNJN-NRFANRHFSA-N 456.543 2.428 30 10 JEEE COC(=O)c1ccc(CSc2nnc(CNC(C)=O)n2N=Cc2cccc([N+](=O)[O-])c2)o1 2330752410 JIDDWOHJPWFIIL-UHFFFAOYSA-N 458.456 2.377 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)OCc2ccccc2)n1C 2337188331 OZEZPOAZHPWAEG-GBESFXJTSA-N 480.374 2.167 30 10 JEEE C[C@@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)C[C@@H]1CCNC(=O)OC(C)(C)C 2362466034 WLDCYIIVWPUCBW-CVEARBPZSA-N 462.400 2.342 30 10 JEEE CC(C)(C)OC(=O)N1CC2(C1)OCCC[C@]2(C(=O)O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 2373523732 CQIUJYVKFYTCKL-CJFMBICVSA-N 470.570 2.320 30 10 JEEE COc1cccc(NC(=O)CSc2nnc(N/N=C(\C)c3ccc4c(c3)OCO4)n2N)c1 21318254 DXYPRYHGVISKJA-FSJBWODESA-N 455.500 2.296 30 10 JEEE N#Cc1nc(/C=C2/SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)oc1N1CCC(C(N)=O)CC1 39836598 TXNNMIYWSJGETE-CAOOACKPSA-N 497.558 2.378 30 10 JEEE O=C1C(=O)N(CCCN2CCOCC2)[C@@H](c2ccc([N+](=O)[O-])cc2)/C1=C(/O)c1ccncc1 103103413 JVMNDSLNAWVRJN-LCPUNJGISA-N 452.467 2.134 30 10 JEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NC[C@H]2CCN(CCc3ccccc3)C2)CC1 489713519 XGAJGDOJYOKLTO-JOCHJYFZSA-N 481.622 2.139 30 10 JEEE C=CCNC(=O)CN1CCN(C(=O)CCSCc2nc(O)c3c4c(sc3n2)CCCC4)CC1 514363015 CDWIIMQRJGPTTD-UHFFFAOYSA-N 489.667 2.345 30 10 JEEE CN1CCC(n2c(=C(C#N)C(=O)c3ccc(F)cc3)sc(=Cc3cnn4ccccc34)c2=O)CC1 729669790 UQHPWTHVLDXVET-UHFFFAOYSA-N 487.560 2.349 30 10 JEEE CC(C)Cn1c(=C(C#N)c2nnc3n2CCCCC3)sc(=Cc2cnn3ccccc23)c1=O 729672117 YFCBSUBSUGWHPI-UHFFFAOYSA-N 459.579 2.083 30 10 JEEE Nn1c(NN=Cc2cc([N+](=O)[O-])ccc2O)nnc1SCC(=O)Nc1ccccc1Cl 1084480020 PRTXGQFYKDTOEF-UHFFFAOYSA-N 462.879 2.436 30 10 JEEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CCN(CC(=O)Nc2cc(C)on2)CC1 1135901704 PKZPFJYALQKENJ-UHFFFAOYSA-N 450.499 2.130 30 10 JEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)CC(=O)N1CCC[C@@H](C(=O)OCC)C1 1142904893 OKTRXYPVRSMTPF-HZPDHXFCSA-N 459.971 2.282 30 10 JEEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCS(=O)(=O)C[C@@H]1c1cnn(C)c1 1177719016 XIGMWCIBPONBGW-ZWKOTPCHSA-N 454.593 2.358 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@H]1CCS(=O)(=O)C1 1286289946 NGLLIYUNGOHEAM-IRXDYDNUSA-N 468.583 2.129 30 10 JEEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCCN(Cc2ccccc2)C1 1286361942 VLTMZQRAEKRNQN-FPOVZHCZSA-N 458.632 2.260 30 10 JEEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCCCOc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1286389707 PANTZWXARICXNV-TZIWHRDSSA-N 485.610 2.024 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CC[C@@H]1CCO[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1286394883 XQKPXLUXEGVHTH-HMXCVIKNSA-N 457.600 2.096 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CC1(CCC)CC1)[C@@H]1CCS(=O)(=O)C1 1286398685 MNHQAVZEGVMWPC-OTWHNJEPSA-N 450.605 2.209 30 10 JEEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCN1CCCCC1=O 1286437458 NPJSRSCRELHISH-UHFFFAOYSA-N 471.631 2.409 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2C[C@@H]2CN(CC(C)C)CCO2)CC1 1286479799 XSBIJZCNJAOMQA-DEOSSOPVSA-N 450.631 2.289 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H](C)CN(C)C(=O)OC(C)(C)C)CC1 1286493300 NCMRIMRYKQGPFO-UYAOXDASSA-N 488.633 2.251 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2Cc2c(C)nn(C)c2C)CC1 1286494786 RFMGMQODZULHOE-UHFFFAOYSA-N 459.598 2.428 30 10 JEEE C=C(Br)Cn1c(CNC(=O)c2cccs2)nnc1N1CCn2nc(C)nc2C1 1286541821 DFQOJPXKXRTPOL-UHFFFAOYSA-N 463.365 2.098 30 10 JEEE C=C(C)COCCn1c(-c2cccc(C)n2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1286606156 IFJGHKHZJLRKID-LJQANCHMSA-N 453.547 2.008 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2Cc2cnnn2C)C1 1286808184 AWHZQOVJEXCDHW-LJQANCHMSA-N 472.594 2.351 30 10 JEEE CCN1CCN(C2CCN(c3nnc(-c4ccc(C#N)cc4)n3CCN(C)CCOC)CC2)C1=O 1296179752 HXPJWXDXWLPJDF-UHFFFAOYSA-N 480.617 2.121 30 10 JEEE C#CCCCn1c(N2CCN(C(=O)Cc3ccccc3)CC2)nnc1[C@]1(OCC)CCOC1 1300425749 WPRUSSWUZGSTQD-VWLOTQADSA-N 451.571 2.235 30 10 JEEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCN1CCCO[C@@H](C)C1 1300456214 XXYNLZKWBNGORM-IBGZPJMESA-N 463.586 2.245 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ccc(OCCC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1300493490 VKGIFLOVGPBMPF-IBGZPJMESA-N 496.593 2.208 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CSCCS1 1300569753 TZIVGJFLQJPCRK-IBGZPJMESA-N 450.597 2.232 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H](C)N1CCN(CC)CC1 1300619284 UXTZPHGJJHAULV-HXUWFJFHSA-N 476.629 2.160 30 10 JEEE C#CCN1CCN(c2nnc(-c3noc4c3COCC4)n2CCN(CC)CCC(F)(F)F)CC1 1300698412 SEMSWTDWZSVLSD-UHFFFAOYSA-N 481.523 2.035 30 10 JEEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCc2nc(O)c(C#N)cc2C1 1300831105 REGUEAGVAMKGEL-CYBMUJFWSA-N 463.336 2.446 30 10 JEEE C=CC[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1)c1ccccc1 1301164633 BIWMPYSYBSLJNP-SXLOBPIMSA-N 472.615 2.059 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CCN(C(C)=O)C[C@@H]1C 1301484883 ORPFOBOLXDIJOM-AWEZNQCLSA-N 491.390 2.075 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC(C(=O)OC)CC1 1301492850 PHVNBAGIYQFDFL-UHFFFAOYSA-N 457.531 2.044 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(N(C)C(C)=O)CC2)cc1 1301526202 MWTLMHNVYKOQEP-HXUWFJFHSA-N 487.626 2.240 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@](C)(C(=O)NC)C1 1301569252 UJBKTUOSSVIZCA-ZHRRBRCNSA-N 479.578 2.120 30 10 JEEE Cc1ccc(O[C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)cc1 1304391937 DWVXHHXWVFIMNT-GUXCAODWSA-N 450.540 2.106 30 10 JEEE CCNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)CN2CCCC2)CC1 1313995834 GUIWNWFYTMECFZ-IBGZPJMESA-N 450.591 2.400 30 10 JEEE CN(C)C(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](N2CCCC2)C1 1314636418 ICSDIPNOYDPEPV-HXUWFJFHSA-N 451.575 2.272 30 10 JEEE CO[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1)C(C)C 1315213070 FAHFUSJGHNHDQS-RXVVDRJESA-N 490.605 2.189 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Cl)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1358897862 HPFWGGUIMOJZQP-CVEARBPZSA-N 451.980 2.250 30 10 JEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(Oc2cc(C)ccn2)CC1 1358904620 IESGRADAOMDILA-SFHVURJKSA-N 460.604 2.443 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](CC)NC(=O)OC(C)(C)C)CC1 1359037800 XSAVSYSCXDUORH-HXUWFJFHSA-N 453.591 2.322 30 10 JEEE C=C(C)COCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1359127775 AARDUPNQHSMDCY-DEOSSOPVSA-N 471.558 2.280 30 10 JEEE C=C1CCN(c2nnc(CCc3ccccc3)n2CCNS(=O)(=O)Cc2ccon2)CC1 1359167525 JJFMIFHXPUNIBJ-UHFFFAOYSA-N 456.572 2.327 30 10 JEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccnc2OCC(F)F)CC1 1359174085 WGKDDHZDMRYLIG-CQSZACIVSA-N 470.546 2.378 30 10 JEEE C=CCN(Cc1cccs1)c1nnc(C(=O)N2CCCC2)n1CC(=O)NCC(F)(F)F 1359261687 RVQLWXZSDDBURK-UHFFFAOYSA-N 456.494 2.447 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1359292315 MUEZZIPNXNVUAX-YJBOKZPZSA-N 482.006 2.387 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccc(C(=O)NCCC)c2)C1 1359321094 ZVBKBZVVXDFQFR-VQTJNVASSA-N 452.559 2.199 30 10 JEEE COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1c(F)cccc1SC 1504887597 CNQWNHMCNYVJCP-OAHLLOKOSA-N 467.592 2.456 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCNC(=O)c1cc[nH]n1 1507706836 PEGNXKOGRMDAII-MRXNPFEDSA-N 467.599 2.371 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@](C)(O)C(C)C 1507711551 WTPVNEWAHXCNCE-FDDCHVKYSA-N 465.595 2.080 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C)cc2C)n1 1507717513 VLJRWTKUVXJNLF-QFIPXVFZSA-N 496.637 2.328 30 10 JEEE C=C(Br)Cn1c(-c2cnccn2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1507782402 DODUOXYPDAVQGX-HNNXBMFYSA-N 461.368 2.226 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1507804975 LODOEMRDZBOPKA-XCJLJZCSSA-N 480.679 2.180 30 10 JEEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1507869083 RFZRIOUKBSKCMD-HZPDHXFCSA-N 462.016 2.147 30 10 JEEE C=CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](CNC(C)=O)C1)c1ccccc1 1507920542 MLUVQLQEDVPQHH-NHCUHLMSSA-N 454.575 2.118 30 10 JEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 1507953438 FUFZOGXKIALKBB-SFHVURJKSA-N 498.650 2.071 30 10 JEEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccc(C)cc1)N1CCOCC1 1507984003 SPHPBXDARASOJX-LEWJYISDSA-N 459.616 2.184 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccc(C(F)(F)F)cc2)CC1 1508092611 RPFRECMBHFIEPD-MRXNPFEDSA-N 464.492 2.430 30 10 JEEE C=CCOc1ccc(Cn2c(Cc3cccnc3)nnc2N(C)CC(=O)N2CCOCC2)cc1 1508104101 KBMBJQKFVASYKB-UHFFFAOYSA-N 462.554 2.172 30 10 JEEE CNC(=O)C(C)(C)Cn1c(Cc2ccccc2F)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1517435269 DJRDJLKJYHRDLH-UHFFFAOYSA-N 493.591 2.020 30 10 JEEE CNC(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H](c1ccc(C)o1)N1CCOCC1 1517575521 AOGQXOBYINSOSS-NRFANRHFSA-N 477.569 2.364 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OCC)CCOC3)n2C[C@H]2CCCO2)c1 1539039753 HBJIZMONRRKRQE-YKSBVNFPSA-N 453.543 2.165 30 10 JEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1Cc2ccccc2O[C@H](C)C1 1539071792 DUMCUFGCUPRWBT-WIYYLYMNSA-N 473.599 2.202 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCN1CCCO[C@H](C)C1 1539315846 WMSZHDJHPHEFIO-OAQYLSRUSA-N 487.608 2.156 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CCn2cc(Br)cn2)CC1 1539466589 CSNHKXJTGKMGJF-UHFFFAOYSA-N 462.396 2.201 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1539470647 UKTMTFJGBNYTAG-GYCJOSAFSA-N 489.523 2.052 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](C#N)C1 1539629622 BBOSJUCLTXFGDG-FYQPLNBISA-N 488.589 2.296 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCCN1S(C)(=O)=O 1539665921 JMKPFWWMDFFUHB-QGZVFWFLSA-N 495.675 2.065 30 10 JEEE C=C(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1539690996 WVYCJAUBWCACFD-KRWDZBQOSA-N 466.995 2.200 30 10 JEEE C=CCN(CC=C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](C)N1CCOCC1 1540163962 DSDUTKSZFIGYIV-SFHVURJKSA-N 459.620 2.137 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H]1CSC 1540898694 RKOYHBHBPBFEHS-QGZVFWFLSA-N 484.669 2.281 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1540906769 BCBRHEDPJYQURY-IBGZPJMESA-N 497.662 2.342 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@H](c1ccsc1)N(C)C 1541673743 AYSGCFUVPHMYFQ-FQEVSTJZSA-N 493.641 2.374 30 10 JEEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCS(C)(=O)=O)C[C@H](C2CC2)O1 1545057999 CLFPXIWXVXDRSO-OXJNMPFZSA-N 459.572 2.167 30 10 JEEE CCn1ccc(C(=O)N2CCN(c3ccc(C#N)c(C(F)(F)F)c3)C[C@H]2C(=O)NC2CC2)n1 1548369399 AJQAPUDACWWQEG-IBGZPJMESA-N 460.460 2.403 30 10 JEEE COCCNC(=O)[C@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CCN1C(=O)NCC(C)C 1548372640 PUOYPMCLJFMDHF-GOSISDBHSA-N 455.481 2.196 30 10 JEEE Cc1nsc(N2CCN(C(=O)NC[C@@H](c3cccc(F)c3)N3CCOCC3)CC2)c1C#N 1563825706 GZGXHOLIKCFGSX-FQEVSTJZSA-N 458.563 2.367 30 10 JEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccccc1CS(=O)(=O)NC(C)C 1583937913 VGLJZZNXZWTKTN-LJQANCHMSA-N 451.589 2.437 30 10 JEEE C#CCNC(=O)CN1CCCN(C(=O)c2ccc(Cl)cc2NC(=O)c2ccoc2C)CC1 1585000293 VVDTVXKBSWODMB-UHFFFAOYSA-N 456.930 2.391 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1CC1(O)CCS(=O)(=O)CC1 1587586585 QQRQZLBZYBOYHW-AWEZNQCLSA-N 467.389 2.105 30 10 JEEE C#CCCCn1c(CCc2ccc(OC)cc2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1587872880 YCZVUHQYXMKYDX-UHFFFAOYSA-N 464.614 2.230 30 10 JEEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1CCSC(C)C)[C@@H]1CCS(=O)(=O)C1 1588069204 JJOARBXOCDTIHC-MRXNPFEDSA-N 481.669 2.038 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1Cc1ccsc1)[C@H]1CCS(=O)(=O)C1 1588069557 QJQHIYZEPWFMQF-IBGZPJMESA-N 467.576 2.465 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CC(=O)NCc2ccco2)CC1 1588791052 LPOJZRJZUPRSMP-UHFFFAOYSA-N 478.553 2.017 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCCC(=O)N(C)C)CC1 1588811694 MLNURNBCYMWRFX-FQEVSTJZSA-N 487.649 2.016 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2CCCc2nc(C)no2)CC1 1588914140 XXQPRLGHEBLUGL-UHFFFAOYSA-N 463.542 2.244 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2CCc2cccnc2)CC1 1588947362 PIFPANWHXKXQDV-UHFFFAOYSA-N 458.566 2.481 30 10 JEEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1588994720 ZFGPFVPQGFOJNR-SFHVURJKSA-N 484.445 2.417 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)COC)CC1 1589567101 AHLQYIISQNYDFY-WZONZLPQSA-N 473.549 2.272 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1595776591 BTJCFGJXHANZSI-UGKGYDQZSA-N 489.642 2.102 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1595797985 KRWVVMCGAFBFNN-UHFFFAOYSA-N 458.563 2.484 30 10 JEEE C[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](C#N)C1)N(C)Cc1ccccc1 1611477180 CAAIJXMFTPUHSD-QUCCMNQESA-N 460.542 2.175 30 10 JEEE C[C@@H](N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N(C)C)CC1)C(F)(F)F 1611649432 GXWYKMWKLNFESV-MRXNPFEDSA-N 479.507 2.280 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CCc1cccnc1 1611700611 GELNUPHFMVELEP-IBGZPJMESA-N 494.625 2.114 30 10 JEEE C=C(Cl)C[C@@H](NS(=O)(=O)c1cc2nc(O)[nH]c2cc1Br)C(=O)OCC 1622450148 KMJVWLJPPRMJRH-LLVKDONJSA-N 452.714 2.384 30 10 JEEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@](C)(C(N)=O)c2cccc(C(F)(F)F)c2)cc1 1634660754 KPSFOTFRBIEHSG-LJQANCHMSA-N 455.458 2.300 30 10 JEEE C#CCN(C(=O)Nc1cc(F)c(F)cc1I)[C@@H]1CCS(=O)(=O)C1 1667500964 ZYYLIRBOSSJKLF-SECBINFHSA-N 454.236 2.224 30 10 JEEE C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)NCC[C@@](O)(c2nccn2C)C(F)(F)F)cc1 1670762355 FOMICEWCTMMFRN-YVEFUNNKSA-N 459.450 2.068 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCCCN1CCOCC1 1689826341 MIWMFFIJMXHTAW-GOSISDBHSA-N 458.994 2.432 30 10 JEEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC(N2CCNC2=O)CC1 1689901165 CUWNKLVGWSPKIC-UHFFFAOYSA-N 455.588 2.067 30 10 JEEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCOc1ccccc1C(C)C)[C@@H]1CCS(=O)(=O)C1 1689987883 DTGFYZWEOMBUCS-QUCCMNQESA-N 485.610 2.058 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCC[C@@H]1NC(=O)NC1=O 1690096416 SDXBWJHCBVHYEU-RDJZCZTQSA-N 470.599 2.206 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN(C)c1ccccc1 1690265467 PLZCPTWMJJGFCO-HXUWFJFHSA-N 462.620 2.150 30 10 JEEE C=C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2Cc2ccc(C)n(C)c2=O)CC1 1690367109 BKDOIEJVCVYAKB-UHFFFAOYSA-N 482.610 2.407 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccnc1OC 1690609632 VRADJVWWWLYALV-SFHVURJKSA-N 457.556 2.460 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@H](C)C2)cc1 1690680268 NHSGJGBLJFRUOT-XLIONFOSSA-N 461.588 2.070 30 10 JEEE CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@H](N2CCOCC2)C(F)(F)F)CC1 1690840745 VOFSGXINBCKSBG-FQEVSTJZSA-N 491.518 2.138 30 10 JEEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCN2S(C)(=O)=O)C[C@H](C)S1 1693830561 FTGXLWWTWGROAB-JENIJYKNSA-N 490.655 2.483 30 10 JEEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1705523468 YNEBOZLXSYPALN-XGAJZPNHSA-N 486.661 2.185 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCOc1ccc(Cl)cc1 1705534965 XEPYPMGCXFTYAE-IBGZPJMESA-N 482.006 2.193 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCC1(COC)CCC1)[C@H]1CCS(=O)(=O)C1 1705564681 DSOSYUYZONHFOW-MOPGFXCFSA-N 450.605 2.006 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2ccc(F)cc2)C1 1705662293 VNJYXTWBPKEMFX-HKUYNNGSSA-N 464.588 2.264 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC2CC2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1705705248 FOMRJQXJUXCAGP-GHTZIAJQSA-N 451.637 2.462 30 10 JEEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(NC(=O)C2CC2)CC1 1705729305 RZRMATCNARQFQM-UHFFFAOYSA-N 453.547 2.013 30 10 JEEE C=CC[C@H](Cn1c(Nc2ccn(C)n2)nnc1[C@@H]1CN(S(C)(=O)=O)CCO1)c1ccccc1 1705797893 GFQMMRUEUWLGKC-MOPGFXCFSA-N 471.587 2.448 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[C@@H](COC)C1 1705898078 ACRQWBKHVJTBEZ-CQSZACIVSA-N 464.364 2.491 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N(C)C1CCC2(CC1)OCCO2 1705935821 DMZZNPIDPVRTSG-GOSISDBHSA-N 454.593 2.242 30 10 JEEE CC(C)NC(=O)c1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1C[C@@]1(O)CCO[C@H]1C 1706595259 BBBWLWBUCATZSJ-XDHUDOTRSA-N 450.543 2.122 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CC3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)c1 1722310362 VCEBOTICDXQCTQ-JOCHJYFZSA-N 477.613 2.154 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H](C)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1722361963 LDBGRJCFYGRYPS-XLIONFOSSA-N 498.609 2.357 30 10 JEEE C#CCN1CCN(c2nnc(CCCc3ccccc3)n2CCS(=O)(=O)C(C)(C)C)CC1 1722440925 LXRSGNMKIHQZHD-UHFFFAOYSA-N 457.644 2.422 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@H]1NC(=O)CC1(C)C 1722446276 CMTDPGZMUSNKFH-FQEVSTJZSA-N 491.596 2.066 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C2CC2)N(C)C)CC1 1722449860 ROVOXCHYLSIJSV-HSZRJFAPSA-N 475.597 2.035 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nc(C(C)C)cs1 1722476041 XJZYXMPTDQJPJU-LAUBAEHRSA-N 478.644 2.231 30 10 JEEE C=C(Br)Cn1c(N(CC)[C@@H]2CCS(=O)(=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1722489918 VCGMFEBJLUYUOK-QAPCUYQASA-N 477.425 2.241 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(OC)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1722494478 MWUMCGMEVWDKQC-XHYAQGIWSA-N 456.543 2.295 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCc2ccccc2)nnc1N1CCN(CCOC)C(=O)C1 1722504642 OGHACBLPOWUIKZ-QPPBQGQZSA-N 453.587 2.340 30 10 JEEE C=C(Cl)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(CCOC)CC1 1722542939 BQSODLOZOYNDNA-UHFFFAOYSA-N 453.374 2.382 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N(C)Cc1ccc2cnccc2c1 1722725042 KWRILEBNHJVCGY-UHFFFAOYSA-N 456.572 2.202 30 10 JEEE C[C@H]1CCCN(CCn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N2CC[C@@](F)(C#N)C2)C1 1726577629 GPXWNKXZTKGRLS-FDDCHVKYSA-N 489.621 2.369 30 10 JEEE CCNC(=O)C1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(NC(C)=O)CC2)CCC1 1728655307 GQWFISOAMYJPNP-UHFFFAOYSA-N 479.585 2.140 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1C[C@H](CC(C)C)NC(=O)OCC)[C@@H]1CCS(=O)(=O)C1 1740615882 MYMCTSPHKMCJJT-ZWKOTPCHSA-N 467.636 2.363 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1Cc1ccc(NC(C)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1740623898 CJYHVJUBXIGVOT-OAQYLSRUSA-N 498.634 2.267 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1C[C@@H](c1ccccc1)N1CCOCC1 1740684872 DHPHHIFSUQPSHC-PKTZIBPZSA-N 453.587 2.332 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CCc2cccc(C(=O)NC)c2)CC1 1740706511 ZMGKAVXTOGKFNR-UHFFFAOYSA-N 464.614 2.435 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CCS(=O)(=O)C1 1740736022 KNRYCSURNAQRFP-VOLVWJTLSA-N 477.631 2.476 30 10 JEEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(=O)Cc2cccc(F)c2)CC1 1740782063 ACXOIXFLMRPIRM-IBGZPJMESA-N 475.590 2.177 30 10 JEEE C=CCCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1740859309 JZJPRFYTVMNVGW-UHFFFAOYSA-N 482.585 2.246 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCN(CC(F)(F)F)CC1 1740955116 MINJVIJDKZGPBF-UHFFFAOYSA-N 459.476 2.480 30 10 JEEE C=CCOc1ccccc1Cn1c(N2CC[C@](C)(C(N)=O)C2)nnc1[C@@]1(OCC)CCOC1 1740971686 SWHYGLHWSUSZDK-BJKOFHAPSA-N 455.559 2.245 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1740988832 QOGFTMQPIBTMPK-UHFFFAOYSA-N 490.630 2.138 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCOc2ccccc2)nnc1N1C[C@H]2CCCN2C[C@H]1C 1740993866 FFZROTYPFBXPEV-WOJBJXKFSA-N 459.616 2.173 30 10 JEEE CC(C)NC(=O)c1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1CCCN1CCOC1=O 1741648509 ATYHEZYSRWJJRS-UHFFFAOYSA-N 463.542 2.424 30 10 JEEE C#CCN(c1nnc(CCOc2ccccc2)n1CCN1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1748821292 OIPSHXRTQCKVOX-FCHUYYIVSA-N 485.654 2.258 30 10 JEEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CN(CC(C)C)CCO1 1748901344 WTDAKGYZEZWXED-FQEVSTJZSA-N 468.627 2.089 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2CCN2CC=CCC2)CC1 1749019338 SIQGTLPFJAUJRH-UHFFFAOYSA-N 466.561 2.224 30 10 JEEE C=C(Cl)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCN(CC(=O)NCCOC)CC1 1749265294 OZFBQDHXVXQOJR-UHFFFAOYSA-N 457.966 2.064 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2ccccc2Cl)CC1 1749650210 NPTFYKHIAWQPHK-UHFFFAOYSA-N 474.009 2.479 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1749655151 DNMPMNOUNOGCLL-GWCFXTLKSA-N 477.285 2.494 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](c2nc(C(C)C)cs2)C1 1749670221 OVNHLWULANARHV-HZPDHXFCSA-N 457.604 2.495 30 10 JEEE Cc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(c3cc(C#N)ccn3)CC2)c(C)c1 1751515483 HLPPMDFZPMULST-LJQANCHMSA-N 494.625 2.147 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC2(S(C)(=O)=O)CC2)CC1 1760270826 BRJRKNQKVVBKEF-UHFFFAOYSA-N 499.637 2.017 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CCc2nnc(C)s2)C1 1760550424 YDEFJEQKZYSBSO-OAHLLOKOSA-N 459.601 2.454 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCc2ccc(OC)cc2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1760557704 UIZOTLUJKHIAHA-NTKDMRAZSA-N 490.626 2.057 30 10 JEEE CC(C)N1C[C@H](c2nnc(SCC(=O)NCc3ccco3)n2/N=C/c2ccc[nH]2)CC1=O 1874338481 RQWDLFYUHNUNLK-BYXSLANXSA-N 455.544 2.214 30 10 JEEE CCCN(CCC)C(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1ccc(C(=O)OC)cc1 1874435143 PIUFLDGBXJYXOG-ZMOGYAJESA-N 474.587 2.324 30 10 JEEE CC(C)N1C(=O)CS[C@@H](C(=O)N2CCN(c3cccnn3)CC2)[C@@H]1c1ccc(C#N)cc1 1889488716 XHHCWTPLSQRESP-FCHUYYIVSA-N 450.568 2.091 30 10 JEEE C=C(CS(=O)(=O)N=[S@](C)(=O)CCNC(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2243427004 OTNKJZIIQAGAGU-MUUNZHRXSA-N 452.404 2.126 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](O)CN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2255659000 LTNRURWMSYRZKN-CABCVRRESA-N 452.382 2.147 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@](O)(CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2255702952 NEWWVMNSRAJYKJ-NRFANRHFSA-N 452.382 2.149 30 10 JEEE C=C(CS(=O)(=O)NC[C@@]1(C)CN(C(=O)OC(C)(C)C)CCO1)B1OC(C)(C)C(C)(C)O1 2255955901 VQQZWKSXJLAEPJ-FQEVSTJZSA-N 460.402 2.119 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CC[C@](C)(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2256605975 PCRFQYKCTNINSF-YUNKPMOVSA-N 452.386 2.281 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1CC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2256679204 UNHHEGOBTDMSAW-QWHCGFSZSA-N 453.370 2.311 30 10 JEEE Cc1c(C(=O)N(C)[C@H](C)CN(C)C(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2266994363 TXFQOXXFHPBTSL-CQSZACIVSA-N 450.389 2.355 30 10 JEEE Cc1nn(C)c(C(=O)NC(C)(C)CCNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267137466 QTDIOKTXICBTLT-UHFFFAOYSA-N 450.389 2.451 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@H](CCNC(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)C1 2267277619 RLHNFWQKOSANAO-OAHLLOKOSA-N 450.341 2.335 30 10 JEEE Cc1nc(S(=O)(=O)N[C@@H](C)CCOCc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)n1C 2267473818 KZWGMQJOKXUDLN-INIZCTEOSA-N 463.409 2.301 30 10 JEEE Cn1nc(C(=O)N2C[C@H]3C[C@@]3(NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2267501841 DLJXMNRBYFWEFZ-XUSGNXJCSA-N 466.775 2.112 30 10 JEEE CC(C)(C)OC(=O)NCCN(CC(F)(F)F)C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2267516209 APCFWCCFPOILAS-UHFFFAOYSA-N 462.278 2.238 30 10 JEEE CC(C)(C)OC(=O)NCC[C@@H]1CN(C(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)CCO1 2267540098 VJUNDXZLYZQXDJ-CQSZACIVSA-N 467.397 2.198 30 10 JEEE CC(C)(C)OC(=O)NCC[S@](C)(=O)=NS(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2267717652 HNLFFPRQFBHZPQ-HKBQPEDESA-N 488.437 2.297 30 10 JEEE COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1NC(=O)C[C@@H](O)CNC(=O)OC(C)(C)C 2268633786 UNNNCQWUKHQBNT-OAHLLOKOSA-N 450.341 2.209 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@](O)(CNC(=O)c2ccc(F)cc2B2OC(C)(C)C(C)(C)O2)C1 2281784293 WQKOOCXLPOALNY-QHCPKHFHSA-N 464.343 2.227 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C[C@H]1C(F)(F)F 2281978475 DKSXXXKNNHUYMU-DGCLKSJQSA-N 474.289 2.237 30 10 JEEE Cc1nn(C)c(C(=O)NCC2CCN(C(=O)OC(C)(C)C)CC2)c1B1OC(C)(C)C(C)(C)O1 2281991426 ZYXWTTKNPFFJDE-UHFFFAOYSA-N 462.400 2.405 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H]2OCCN(C(=O)c3csnc3B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2281997418 BIWIJSOWTKHEOZ-CVEARBPZSA-N 479.408 2.293 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCCO[C@H]2[C@@H]1NC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2282003504 CHJXBQNBHQBWQT-LCGIIJARSA-N 479.408 2.243 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1 2282039581 XITFAUCHVPUELX-WBVHZDCISA-N 460.384 2.191 30 10 JEEE CO[C@H]1CN(C(=O)c2cc(F)ccc2B2OC(C)(C)C(C)(C)O2)C[C@H]1NC(=O)OC(C)(C)C 2282141705 JVVNZKWJIZTSEW-MSOLQXFVSA-N 464.343 2.489 30 10 JEEE C[C@H]1CC[C@H](CNC(=O)C(F)(F)F)N(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2282189142 GGVPETIEJHSRAF-DZGCQCFKSA-N 455.286 2.300 30 10 JEEE CC(C)(C)OC(=O)NC[C@@]12CN(C(=O)c3ccoc3B3OC(C)(C)C(C)(C)O3)C[C@@H]1CCO2 2282200387 ORCBUNDHWRNMCU-NPMXOYFQSA-N 462.352 2.335 30 10 JEEE CC(C)[C@H]1[C@@H](NC(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2282530909 BDIAKAGJNFDXLU-WMZOPIPTSA-N 462.400 2.483 30 10 JEEE Cn1cc(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 2282555318 RENNREAPIAPPJD-ZMSDIMECSA-N 460.384 2.095 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@]12CC[C@H]1CN(C(=O)OC(C)(C)C)C2 2282590762 GQSTZBIIXPJVLA-NPMXOYFQSA-N 460.384 2.332 30 10 JEEE CON(C1CN(C(=O)OC(C)(C)C)C1)S(=O)(=O)c1ccc(C)cc1B1OC(C)(C)C(C)(C)O1 2282827893 GAJRSILZSAKREZ-UHFFFAOYSA-N 482.408 2.466 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)CO1 2283969564 JFPAPBNBDMMWAC-UKRRQHHQSA-N 465.331 2.388 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@@](O)(CC(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)C1 2284020011 HCQTXVKAXHOKRS-JOCHJYFZSA-N 481.424 2.211 30 10 JEEE CN(C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1)[C@@H]1CN(C(=O)OC(C)(C)C)CC12CC2 2287017261 REQBFBCHFNBDRX-MRXNPFEDSA-N 460.384 2.191 30 10 JEEE Cc1cc(CNC(=O)[C@@H](CN(C)C)NC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2289577456 SPUCVXBZMFHKLF-LJQANCHMSA-N 461.412 2.365 30 10 JEEE COc1ccc([C@H]2C(=C(O)c3ccncc3)C(=O)C(=O)N2CCCN2CCOCC2)cc1OC 2296932609 CYXBAYSAXVEZMW-QFIPXVFZSA-N 467.522 2.243 30 10 JEEE COC(=O)CSc1nnc(CNC(C)=O)n1N=Cc1ccc(OC(=O)c2ccccc2)c(OC)c1 2330770408 GOHULCJJOMARMI-UHFFFAOYSA-N 497.533 2.289 30 10 JEEE CCO[C@@H]1C[C@H](NC(=O)OC(C)(C)C)[C@H]1N=c1ccc(B2OC(C)(C)C(C)(C)O2)c(OC)[nH]1 2365348228 NVOFITFGMMEKCY-LZLYRXPVSA-N 463.384 2.294 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@H]2C[C@](C(=O)O)(N3CCN(Cc4ccccc4)[C@H](C#N)C3)C[C@@H]21 2373495576 MSAJZBNFNRRADQ-FBROZUCGSA-N 470.570 2.318 30 10 JEEE CCCCCCCCO[C@@H]1O[C@@H]([C@H](COC(C)=O)OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 77312034 YQYGIWWSRQRBBQ-RTOMLYRKSA-N 460.520 2.447 30 10 JEEE in-vitro O=C1C(=O)N(CCCN2CCOCC2)[C@H](c2ccco2)/C1=C(/O)c1ccc2c(c1)OCCO2 102705749 XBCARJGAUCOCBF-SADKCHQCSA-N 454.479 2.195 30 10 JEEE CC1(C)CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)[C@@H]1C#N 1194100863 GEPLCUCRSLWLMI-GOSISDBHSA-N 456.971 2.326 30 10 JEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2cc(F)cc(F)c2C1 1286323594 KTEWNHUPDKRYSZ-HXUWFJFHSA-N 479.553 2.255 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCCc1nnc(C)s1)[C@H]1CCS(=O)(=O)C1 1286383384 MIRCHQNTEDRBKW-IBGZPJMESA-N 481.607 2.236 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@@H](C)CNC(=O)OC(C)(C)C)CC1 1286491023 BCVSYASCJBYDIW-IBGZPJMESA-N 495.628 2.391 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2Cc2cnn(CCOC)c2)CC1 1286491306 MLYBQUISZCQLMF-UHFFFAOYSA-N 496.015 2.379 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1286520192 APAFXZVGCPAWDM-UZUQRXQVSA-N 473.599 2.236 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCC(S(C)(=O)=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1286561344 CISAWODCHSJYKR-GREBRCKQSA-N 482.647 2.313 30 10 JEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccccc2-c2cnn(C)c2)CC1 1286638009 RQRSJZZUYUOPEH-QGZVFWFLSA-N 455.588 2.494 30 10 JEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C)c2ccccc2C1 1286700809 RNJHFVFXESZSNY-FQEVSTJZSA-N 460.604 2.034 30 10 JEEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CC(F)(F)F)CC1 1286776141 FTGQXMJGVMMXHX-OAHLLOKOSA-N 460.501 2.457 30 10 JEEE C=CCSCCn1c(-c2cccnc2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1286828882 RGUQHQAMYWPEKM-UHFFFAOYSA-N 483.642 2.200 30 10 JEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCc2ccccc2)CC1 1286831682 IVGFJZPAIGLDDI-NRFANRHFSA-N 475.684 2.464 30 10 JEEE Cc1ccc(Cn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CCO[C@@H](C#N)C2)c(=O)n1C 1289678390 BCYIPOHQPIYUAR-QUCCMNQESA-N 497.600 2.177 30 10 JEEE CCN1CCN([C@H](C)Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCO[C@@H](C#N)C2)CC1 1296123566 BHPSKVVOXIBLAP-AEFFLSMTSA-N 461.973 2.492 30 10 JEEE C#CCN(c1nnc(-c2ccccc2)n1CCCOC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1300490081 ZAIUNYAQISQXOZ-HXUWFJFHSA-N 458.584 2.158 30 10 JEEE C#CCSCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC(NS(C)(=O)=O)CC1 1300766473 DKSVOGNSENPVRY-UHFFFAOYSA-N 472.640 2.235 30 10 JEEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(C2CCCC2)CC1 1301189669 ZDGVQPRKQIXOPU-OAQYLSRUSA-N 480.679 2.422 30 10 JEEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2ccc(C)cc2)CC1 1301223030 LJZSZYNMEZOCCJ-FQEVSTJZSA-N 457.600 2.417 30 10 JEEE C=CCCOCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1301258396 RIOZPDQKJUVGGX-UUOWRZLLSA-N 490.605 2.038 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)NC(=O)OC(C)(C)C 1301424710 OBKBEJHBSVHTIL-INIZCTEOSA-N 471.624 2.122 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@H]1C[C@H](OCC)C12CCC2 1301478442 KTAJGIYRSFNCCU-IRXDYDNUSA-N 453.547 2.012 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1301491212 GAPKUVKEXSVQPQ-NHCUHLMSSA-N 493.656 2.182 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1301506714 PONKWMXUABFSRB-UHFFFAOYSA-N 458.538 2.367 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCCn2cc(Br)cn2)C1 1301535271 KDGVIWVPJDYPFI-INIZCTEOSA-N 466.384 2.247 30 10 JEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2C[C@H]3COC[C@@]3(C(=O)OC(C)(C)C)C2)cc1 1310129761 DAAMBDODZQUWCA-AOMKIAJQSA-N 465.572 2.315 30 10 JEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)cc1 1310130243 GESIIPHWIMFTNG-QHCPKHFHSA-N 458.584 2.252 30 10 JEEE CCn1nc(-c2nnc(N(C)[C@H](C)CC#N)n2C[C@H]2CCCCS2(=O)=O)c2ccccc2c1=O 1313958609 DAYKLDXZLNYRKG-IAGOWNOFSA-N 483.598 2.381 30 10 JEEE COCCN(C)CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@](F)(C#N)C1 1316071014 GVYMEOMPWJEJBF-QHCPKHFHSA-N 479.601 2.413 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H](C)OCCOC)n1C[C@@H]1C[C@@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1358874227 UXNGWKKTMYXYFK-KNJMJIDISA-N 477.606 2.484 30 10 JEEE C#CCCCn1c(-c2ccccc2OC)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1358925891 VRBVNMUOZNZIRD-HXUWFJFHSA-N 450.587 2.500 30 10 JEEE C#CCN(c1nnc(CCCc2ccccc2)n1CC1CCN(C(C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1358966814 XJKDQLBZLOLROT-DEOSSOPVSA-N 497.665 2.339 30 10 JEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1C[C@@H]1CC(F)(F)CO1)[C@H]1CCS(=O)(=O)C1 1358966835 XSICYSUEPGQOTD-ICSRJNTNSA-N 494.564 2.123 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1CCNC(=O)c1cccc(OC)c1 1358981100 WHHDHOPSNCOQCI-UHFFFAOYSA-N 467.533 2.028 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](C(N)=O)C1 1359103857 UOTPUKWZPZOGRT-IPJJNNNSSA-N 450.543 2.412 30 10 JEEE C=C(C)Cn1c(N2CCN(CC(=O)Nc3ccccc3)CC2)nnc1[C@@]1(OCC)CCOC1 1359125064 OHOIDPHRELQWEU-XMMPIXPASA-N 454.575 2.267 30 10 JEEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 1359126849 AXNAEYCARGCFRP-RBUKOAKNSA-N 465.624 2.136 30 10 JEEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(S(=O)(=O)c2ccccc2)CC1 1359151668 YJLLXOOELLAZRE-INIZCTEOSA-N 485.031 2.375 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ncccc2C#N)CC1 1359188414 NARAULILUSVJSU-IBGZPJMESA-N 469.615 2.376 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@@H](NC(C)=O)C1 1359292231 KUUWUYRIGVUICE-UYAOXDASSA-N 454.575 2.442 30 10 JEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N(C)CC(=O)Nc1c(C)cc(C)cc1C 1359303802 BGFIKKXNMYSIBC-UHFFFAOYSA-N 478.601 2.442 30 10 JEEE CC(=O)NC[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCN2CCCO)C1 1359433158 CEZFGHVJEKPOOU-GMAHTHKFSA-N 465.602 2.016 30 10 JEEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CC(O)(c3cccc(Br)c3)C2)cc1 1454646982 RZLLFLRUAODRPZ-UHFFFAOYSA-N 451.342 2.257 30 10 JEEE C#CCNC(=O)C1CCN(C(=O)c2ccccc2NS(=O)(=O)c2ccc(OC)cc2)CC1 1467451659 IYMNMIMGMMXMLW-UHFFFAOYSA-N 455.536 2.098 30 10 JEEE C=C(C)Cn1c(SCC(=O)NC2CCN(C(=O)c3cn[nH]c3)CC2)nnc1-c1ccco1 1468606652 UWZVQNHBEVKUGH-UHFFFAOYSA-N 455.544 2.350 30 10 JEEE CO[C@@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1503929218 GIDSGMYETJAHHO-HBMCJLEFSA-N 479.629 2.478 30 10 JEEE COc1ccc(-c2nnc(N3CCN(c4c(C#N)c(C)nn4C)CC3)n2CCC(C)(C)O)cc1 1504198649 CPOJVROXRARKJK-UHFFFAOYSA-N 464.574 2.355 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CCC1CC(OCC)C1)[C@H]1CCS(=O)(=O)C1 1507633770 GYRWBGVSDZCBTR-KBWCOIMZSA-N 457.600 2.096 30 10 JEEE C#CCN(c1nnc(CSc2ccc(Cl)cc2)n1CCC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1507639558 ZOBNDYATPMYLMC-QGZVFWFLSA-N 496.058 2.329 30 10 JEEE C#CCN(c1nnc(CCCc2ccccc2)n1C[C@@H]1CCOC[C@H]1OC)[C@H]1CCS(=O)(=O)C1 1507640431 SKXBMAKBCZVLAH-RJGXRXQPSA-N 486.638 2.132 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1507652031 WVQCJMUCTNPBCI-NHCUHLMSSA-N 459.598 2.477 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2cccc(C(=O)NC)c2)CC1 1507732182 CVIOOFVQBZPLLY-FGZHOGPDSA-N 464.614 2.360 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H]2CCCCS2)CC1 1507736633 RBEHTTXIBWNYBH-CVDCTZTESA-N 461.632 2.182 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2Cc2ccc(C[S@](C)=O)cc2)CC1 1507739799 KRRJMHVUZXAQLW-YTTGMZPUSA-N 453.612 2.123 30 10 JEEE C#CCSCCn1c(-c2ccccc2F)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1507748988 USYJNSYOBCNRQG-UHFFFAOYSA-N 498.628 2.391 30 10 JEEE C=CCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1508057572 AWUIUEORIKMXGQ-UHFFFAOYSA-N 485.614 2.111 30 10 JEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)OCC)CC1 1508059118 LOOKPZVRKDVKDV-INIZCTEOSA-N 450.540 2.051 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(c2ncccc2C#N)CC1 1508071355 DCIWFVJHQRNEHF-UHFFFAOYSA-N 462.945 2.494 30 10 JEEE C=CCNC(=O)Cn1c(N2CC[C@]3(CCCOC3)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1508099507 ZSVCQQNAWLEVSG-NXMSCROESA-N 474.606 2.358 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCC(NC(=O)C(C)C)CC1 1508135945 CRJZVTHFOMEMCP-UHFFFAOYSA-N 475.615 2.296 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1Cc1nc2cccc(Cl)c2n1C 1510147589 BZSIDWCFCIHRET-CHWSQXEVSA-N 464.983 2.215 30 10 JEEE CC[C@@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CNC(C)=O)CC1 1513167622 ACGSGWLFZLZXBC-QGZVFWFLSA-N 451.575 2.474 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCc1nccs1)[C@@H]1CCS(=O)(=O)C1 1539205308 GPUIBCCUNUXQSV-CQSZACIVSA-N 495.428 2.362 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2c[nH]c3ccccc23)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1539315123 FATKBOGIGLVQOX-GOSISDBHSA-N 450.568 2.171 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@]1(C)CN(C2CC2)C1=O 1539396953 VQFKVVMSLBBDHQ-VWLOTQADSA-N 464.570 2.244 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2C[C@@]2(O)CCOC2)CC1 1539468729 HVTVWSVQVBKGCE-IBVKSMDESA-N 481.597 2.152 30 10 JEEE C=C(Br)Cn1c(C2CCC2)nnc1N1CCN([C@@H](C)C(=O)NCCCOC)CC1 1539596950 RKUPNBPEGPTWPD-INIZCTEOSA-N 469.428 2.117 30 10 JEEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1539742634 ITGHWIPBLWBQSD-UHFFFAOYSA-N 452.519 2.023 30 10 JEEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1540873633 FDMWWEPFJFVKMD-UHFFFAOYSA-N 470.581 2.349 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2C[C@](C)(O)CC)C1 1540883890 GOVFIDRMZCUVHD-HTAPYJJXSA-N 462.620 2.489 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCC(N(C)C(C)=O)CC1 1540900894 LVEJVKPBSOFHAC-UHFFFAOYSA-N 461.588 2.002 30 10 JEEE C=CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCO[C@@H](COC)C1 1540913995 ZTTNLXHPWYUQGJ-QGZVFWFLSA-N 470.599 2.446 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CC1CCN(Cc2ccccc2)CC1 1541678688 GXVFFNWNLGRWPS-NRFANRHFSA-N 451.575 2.057 30 10 JEEE C[C@@H]1CN(CCCn2c(COc3ccc(C#N)cc3)nnc2N2CCOC[C@H]2C)C[C@@H](C)O1 1545100768 CHDZMGITABVPAQ-VAMGGRTRSA-N 454.575 2.453 30 10 JEEE C=CC[C@@]1(C(=O)N2CCN(C[C@@H]3CCCS3(=O)=O)CC2)CCCN1C(=O)OC(C)(C)C 1557805135 IRZFKOHXZIVPAF-AVRDEDQJSA-N 455.621 2.054 30 10 JEEE C[C@@H](C#N)CNC(=O)CCNS(=O)(=O)c1cc(Br)ccc1Br 1565775598 GDDCKNWENOTGIE-VIFPVBQESA-N 453.156 2.156 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CC(=O)N([C@H]3C[C@@H]3c3ccccc3)C2)s1 1566077086 STDOLFQIQKWAAG-QRQLOZEOSA-N 459.593 2.028 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2CCCn2ccnc2C)c1 1587697825 YQSMWYKPAIMVFS-UHFFFAOYSA-N 474.569 2.052 30 10 JEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 1587766192 QDJVHJWFWJTWHH-MSOLQXFVSA-N 465.620 2.335 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCc1nccc(C(F)(F)F)n1)[C@H]1CCS(=O)(=O)C1 1588054963 QQPNKOCLWZMOHB-JKSUJKDBSA-N 498.531 2.198 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1588280138 HBGZITITRVOEMR-RTBURBONSA-N 459.616 2.307 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCS(=O)(=O)CC2CC2)CC1 1588751848 OIPKGHPXKWSVBE-GOSISDBHSA-N 475.590 2.137 30 10 JEEE C#CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1cnccn1 1589070284 RRGBYWJTJKTQIX-GOSISDBHSA-N 473.603 2.379 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCCNS(C)(=O)=O 1589142658 MJDRKIIFWSFEFV-JOCHJYFZSA-N 458.588 2.079 30 10 JEEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 1589288231 HZQIJMRZLNUPRX-LJQANCHMSA-N 489.418 2.278 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)C[C@@H]1CC 1589547572 VBGGYJZSPJWHPD-SLHNCBLASA-N 467.636 2.217 30 10 JEEE C=C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC[C@@H](C(F)F)N2CCOCC2)CC1 1594023499 JYFUAXNWFNWBIJ-AVRDEDQJSA-N 455.550 2.443 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ccc(C)c(OC)c2)CC1 1594096535 CUGXBDYLDXMZGO-OAQYLSRUSA-N 475.615 2.327 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(CC2CCOCC2)CC1 1595490113 MRPORSJMQDUHMD-UHFFFAOYSA-N 458.994 2.449 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1595595729 YPQSYQIFYIVMNG-IAGOWNOFSA-N 470.599 2.129 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Br)cc2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1595772849 HKCVGFIFVQBTKB-HNNXBMFYSA-N 496.431 2.365 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCN(c2ncccc2C#N)CC1 1595777857 RVIXNMBPEIXYMH-UHFFFAOYSA-N 493.593 2.148 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1595784988 PJOPXVSOAHQJMT-UHFFFAOYSA-N 472.615 2.170 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 1595798582 QTSOFTOMHQVBNJ-QUCCMNQESA-N 481.663 2.150 30 10 JEEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(C#N)cc1 1595885049 ZSWQIIDJPGQGRM-IBGZPJMESA-N 476.628 2.038 30 10 JEEE CC(C)(C)[S@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1597706074 FWFVUOXTUOQBBG-DUTUXMCTSA-N 469.615 2.404 30 10 JEEE CC(C)NC(=O)c1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1CCC1(O)CCOCC1 1608301344 HUWVRIGITNEJLM-UHFFFAOYSA-N 452.559 2.389 30 10 JEEE C[C@H]([C@@H](C)S(C)(=O)=O)N(C)CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 1615504231 CFRUOYUATGFTNQ-BRWVUGGUSA-N 450.605 2.109 30 10 JEEE CCNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1615907362 GPCWWZACTLNNKG-LJQANCHMSA-N 472.615 2.383 30 10 JEEE COc1cc(Cl)ccc1-c1nnc(N(C)[C@H](C)CC#N)n1CCN1CCCS1(=O)=O 1619101162 FDYQDBWSSLVOGR-CQSZACIVSA-N 452.968 2.381 30 10 JEEE CO[C@@H]1CCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(OCC(N)=O)CC1 1619490483 BWTWLFRLGOCQOP-GHTZIAJQSA-N 468.558 2.015 30 10 JEEE CCN1CCN(c2cccc(NC(=O)C[C@@H](C)/N=C3/NS(=O)(=O)c4ccccc43)c2)CC1 1625670985 DYFZIFBSUSBDGX-QGZVFWFLSA-N 455.584 2.284 30 10 JEEE C[C@@H]1C[C@@H](NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CCN1C(=O)OC(C)(C)C 1635694407 CNUPNLYIYDSIPB-CABCVRRESA-N 450.561 2.019 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@H]1CCS(=O)(=O)C2(CC(C(=O)OC)C2)C1 1638898706 XKIIWHGMFAHNQP-DKTYTTGXSA-N 450.557 2.292 30 10 JEEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N[C@@H]2C[C@H](O)[C@H](O)C2)c1 1645873272 VCAYKOYGAUOLLF-PDFPEKILSA-N 450.944 2.335 30 10 JEEE CC(=O)N1CCc2cc(S(=O)(=O)NC3CCN(c4ccc(C#N)cn4)CC3)c(Cl)cc21 1661313238 RGKOMFUQWCBRPA-UHFFFAOYSA-N 459.959 2.463 30 10 JEEE CCOc1cc(NC2CCN(C(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC2)ncn1 1679944034 GEZZQLNUYJVBSK-WBVHZDCISA-N 459.551 2.220 30 10 JEEE C#CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC(S(=O)(=O)CC)CC1 1689914706 AJQXUKVMCTXQLC-UHFFFAOYSA-N 492.671 2.364 30 10 JEEE C#CCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 1689918065 PPEXDWCNXJMCCA-UHFFFAOYSA-N 470.599 2.107 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1C[C@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1689982311 KPDJDEYOULVEOX-HRAATJIYSA-N 468.526 2.334 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCN(C)CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1689993032 UDYKJAMBHVMXFO-SFHVURJKSA-N 487.523 2.129 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCC=CO1)[C@H]1CCS(=O)(=O)C1 1689996416 IHRBWNLJHBQLJF-PZJWPPBQSA-N 467.551 2.048 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1CC[C@]2(CCOC2)O1 1689999934 NAKXFNCOAPZFIU-GBXCKJPGSA-N 467.957 2.272 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(OC)ccc2Br)n1CC(=O)NCC1CC1 1690004794 GTSWQCAAMINOIR-UHFFFAOYSA-N 456.344 2.315 30 10 JEEE C=CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@](C)(C(N)=O)C1 1690454130 VEBVSGYRRLKEMG-QFIPXVFZSA-N 460.604 2.253 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(CN2CCC(O)CC2)cc1 1690595592 ZVSVHGIAGYJJFR-JOCHJYFZSA-N 485.654 2.364 30 10 JEEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(Cl)nc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1690605560 OSXPMUYKLDRZFG-NRFANRHFSA-N 477.974 2.371 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@H](C(=O)NCCC)C1 1690661606 ARNXKSVXKMEPNM-HNNXBMFYSA-N 492.422 2.091 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1690678224 OWXWIFOASXSJPW-XFAGBWLFSA-N 490.605 2.037 30 10 JEEE C=CCOc1ccccc1Cn1c(-c2noc3c2COCC3)nnc1N(C)C[C@@H](C)C(=O)NC 1690682337 LTHOYQIORXVXGB-MRXNPFEDSA-N 466.542 2.437 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Br)nnc1N1CC[C@@H](C(=O)OC)C1 1690720424 ISYOGEGWNHYLCM-CQSZACIVSA-N 483.388 2.308 30 10 JEEE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3cccc(C#N)c3)n2CCCCN2CCOCC2)C1 1690786228 HXXYMWAORLJFIK-JOCHJYFZSA-N 465.602 2.234 30 10 JEEE COc1cc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@H]2CCCS(=O)(=O)C2)cc(OC)c1OC 1697252270 HMIDMMNEZHJLIH-OYHNWAKOSA-N 493.561 2.238 30 10 JEEE COc1ccc(OC)c(Cn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@H](C#N)C2)c1 1697478210 AZAVUVFVDKZXID-QGZVFWFLSA-N 468.539 2.064 30 10 JEEE C#CCN(c1nnc(-c2ccccc2)n1CCn1cc(Br)cn1)[C@@H]1CCS(=O)(=O)C1 1705564804 QIZPSTZADRNLBV-GOSISDBHSA-N 489.399 2.231 30 10 JEEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1705655368 LRJQLBGLOBPIBR-OAQYLSRUSA-N 468.583 2.431 30 10 JEEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C(C)=O)cc2F)CC1 1705725559 IGGMUCFBCPNLNW-SFHVURJKSA-N 461.563 2.425 30 10 JEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(Oc2ccccc2)nc1 1705843601 JNAXZMXWFVPFJX-HXUWFJFHSA-N 484.582 2.469 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CN2CCCC2=O)n1C[C@]1(O)CCO[C@@H]1C 1705861111 UKGFXRBOIYMGGL-HOYKHHGWSA-N 450.543 2.005 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CCN(c2ncccn2)CC1 1705896514 OXQWCKHYHWZVFI-UHFFFAOYSA-N 489.403 2.188 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN([C@@H](C)c2nc(C(C)C)no2)CC1 1705931837 CDACTGXHGGRBQC-KRWDZBQOSA-N 488.618 2.264 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1705935055 FPNUDPCOSKWMCX-HOCLYGCPSA-N 459.494 2.021 30 10 JEEE CC[C@H](C)[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1708339168 BGSRFJFXMWJIJV-QYBDOPJKSA-N 488.596 2.434 30 10 JEEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(CCOC)[C@H](CC)C1 1722330437 SZGGGJPCGKJZPV-LJQANCHMSA-N 473.647 2.199 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1CCN1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1722364736 JAMVACMMCWQJHL-RBBKRZOGSA-N 485.654 2.236 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1Cc1cnc(C)s1)[C@H]1CCS(=O)(=O)C1 1722370554 CKJZPRPANLAJIC-SFHVURJKSA-N 482.591 2.169 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(=O)c2ccco2)CC1 1722519661 NAIWJRUIMHKCGR-UHFFFAOYSA-N 455.540 2.480 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccc(C)c(C)c2)CC1 1722523572 ZARIPWHIXHGLOX-NRFANRHFSA-N 474.631 2.131 30 10 JEEE C=C(C)COCCn1c(-c2cccnc2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1722530922 DQYOROCWZRHJAN-UHFFFAOYSA-N 489.627 2.209 30 10 JEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1722700527 LNMSHISMDDEMNE-UHFFFAOYSA-N 478.504 2.308 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2nnc(C)s2)C1 1722715353 OQHPUNSAMJZDPQ-INIZCTEOSA-N 460.585 2.338 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H](C)N1CCN(CC)CC1 1740553293 ZWTHCSHEZAWDII-WOJBJXKFSA-N 476.629 2.159 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1CCCN(c2ccccc2)C1 1740592023 SFAGAKOGLQVMNG-YADHBBJMSA-N 486.642 2.130 30 10 JEEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CCOc1ccccc1)[C@H]1CCS(=O)(=O)C1 1740616438 BBTMIRZZKYCPHA-GBXCKJPGSA-N 488.610 2.024 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@](C)(OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1740618205 DZLRRPYGAXVJCM-UGKGYDQZSA-N 473.555 2.295 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1oc(CCC)nc1C)[C@H]1CCS(=O)(=O)C1 1740624808 KLYNNZWDXYSQMD-IBGZPJMESA-N 468.583 2.188 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(NC(C)=O)nc2)CC1 1740701669 OGFZCQCZKHOTMY-UHFFFAOYSA-N 492.971 2.361 30 10 JEEE C#CCSCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCO[C@@H](C#N)C1 1740714963 AVZAPAWPMWHXOE-KRWDZBQOSA-N 463.567 2.331 30 10 JEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)CCc2ccccc2)CC1 1740715990 IVWSZHDECWLVSZ-OAQYLSRUSA-N 480.638 2.267 30 10 JEEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1740718127 IFNSRLNSQJDZJM-SFTDATJTSA-N 474.675 2.409 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2noc3c2COCC3)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1740756061 FJJDFCXJSWNWCY-MFCZKXCZSA-N 479.603 2.245 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)NC[C@@H]2C1 1740799725 UICGJKTWGNGWMI-MSOLQXFVSA-N 475.594 2.157 30 10 JEEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCS(=O)(=O)C(C)(C)C 1740900232 NLOVXWVHBONFPI-INIZCTEOSA-N 471.624 2.422 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1740964057 FYSXVFNVFKNEFI-UHFFFAOYSA-N 487.626 2.405 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2OCC)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1740964403 OKAULGCMWAGJTO-NHJWOMDBSA-N 455.559 2.155 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1740993265 VNQIONBBEIPBAA-QGZVFWFLSA-N 495.596 2.489 30 10 JEEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2c(CC)nn(C)c2Cl)CC1 1741001109 LCDBVOMUUMKSIT-SFHVURJKSA-N 493.081 2.420 30 10 JEEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCSC2)C1 1746551360 DTWMMONQXBPUSW-AZUAARDMSA-N 490.655 2.390 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1CCN1CCCS1(=O)=O 1748650155 YEVORHTWQDQGQP-CYBMUJFWSA-N 470.368 2.340 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H]1CCCO[C@@H]1C(C)C)[C@@H]1CCS(=O)(=O)C1 1748819330 NCQKMLWCDUJXPS-QZNHQXDQSA-N 471.627 2.342 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H]1CCCN(C(C)=O)C1 1748887497 AVJRZJSMYREUOU-IBGZPJMESA-N 457.538 2.315 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2C[C@@]2(N(C)C)CCSC2)CC1 1749015240 AXUHXRLDSVNJEK-SANMLTNESA-N 480.682 2.466 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CCOC)Cc1ccco1 1749131942 WJLKQVJTVGNGMH-GGPKGHCWSA-N 464.588 2.407 30 10 JEEE C=CCn1c(Cc2csc(C)n2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1749635185 VFJRJGDVDUGNTF-ROUUACIJSA-N 457.648 2.446 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N(C)Cc1ccc(N2CCOCC2)cc1 1749730018 XAUBQNCWKFQBGA-UHFFFAOYSA-N 482.610 2.414 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1CCOCCS(C)(=O)=O 1760103950 OODMJNGREIUURS-LBPRGKRZSA-N 461.407 2.288 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H](N1CCOCC1)C(F)(F)F 1760114297 KIPFZDJMFIHICH-WMLDXEAASA-N 475.475 2.315 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(S(C)(=O)=O)CCCC1 1760117081 MDNHFJXBDOBUMJ-MSOLQXFVSA-N 495.646 2.402 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC(=O)NCC(F)(F)F 1760125491 QNQJRWGQKVDBMN-KBPBESRZSA-N 458.485 2.487 30 10 JEEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1760143559 KDMMUHPMNUHQKL-HOJAQTOUSA-N 457.579 2.380 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC[C@@H]1COCCO1 1760208729 IOMIPZPMWHIGGK-HXUWFJFHSA-N 455.946 2.130 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N1CCc2ccccc2C1 1760218214 ATDBHFFRCCERCQ-NFBKMPQASA-N 465.623 2.090 30 10 JEEE C#CCN(CC)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CC1(C(N)=O)CCOCC1 1760230051 OZBQTBHRSXNMLD-UHFFFAOYSA-N 455.559 2.483 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(Br)s2)n1C[C@@H]1CCS(=O)(=O)C1 1760245219 WDYVOVOGPZFRQV-ZDUSSCGKSA-N 473.418 2.290 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)ccc3Br)n2C[C@@]2(O)CCSC2)CC1 1760254952 QUVVRXVDNYKQJL-NRFANRHFSA-N 492.443 2.339 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(Cc1ccco1)C[C@@H]1CCCO1 1760281758 RBIMYXMIFXXXOI-HKUYNNGSSA-N 464.613 2.325 30 10 JEEE C=C(Cl)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(c2cnccn2)CC1 1760368402 ASDLWXQBDOCWMQ-UHFFFAOYSA-N 459.963 2.218 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC(=O)N1CCCCC1 1760501153 IAJDYOXLNYJXRK-IBGZPJMESA-N 475.615 2.411 30 10 JEEE CN(CCNS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(OC(C)(C)C)nc1 1767389059 DDCPHMCAXQLBMZ-UHFFFAOYSA-N 483.598 2.423 30 10 JEEE CNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2csc(COC)n2)CC1 1767686633 DJMDQZJEABLYPO-UHFFFAOYSA-N 451.556 2.430 30 10 JEEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC[S@](=O)C(C)(C)C)C[C@H]1OC 1770303888 FCQJREHRBOFWMJ-YDVVPIMXSA-N 461.588 2.126 30 10 JEEE CCN(C(=O)c1nc(C(=O)Nc2ccccc2C#N)n2ccccc12)[C@H]1CCS(=O)(=O)C1 1858242984 KDNLBQYODDERPK-INIZCTEOSA-N 451.508 2.107 30 10 JEEE COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2CCN2CCOCC2)cc1 1862755890 GTYGWCTZVNPUKE-OAQYLSRUSA-N 495.488 2.292 30 10 JEEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(C(=O)O)cc1 1862756766 CFUKOHUTWSPOPM-GOSISDBHSA-N 453.407 2.007 30 10 JEEE C=CCN(CC=C)C(=O)[C@H](CCC)NC(=O)c1ccc2c(c1)C(=O)N(CCCN(C)C)C2=O 1868610922 OQPXQTHGLICEKO-NRFANRHFSA-N 454.571 2.333 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)cn1CCNC(C)=O 1870398437 RAXVEGLNMDWZFO-UHFFFAOYSA-N 483.525 2.084 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)N(C)C[C@@H]2CCCO2)cn1CCc1cnc[nH]1 1870548267 XYBCZYFZYZTAQR-QFIPXVFZSA-N 469.586 2.004 30 10 JEEE COc1ccc(/C=N/n2c(SCC(N)=O)nnc2[C@H]2CC(=O)N(c3ccc(OC)cc3)C2)cc1 1874199035 CYIZGUMFTYOZQZ-YEEYNWEUSA-N 480.550 2.275 30 10 JEEE COc1ccc(CCc2nnc(SCC(N)=O)n2/N=C/c2ccccc2C(=O)O)cc1OC 1874219528 QIJFXMFMRVPBNX-WYMPLXKRSA-N 469.523 2.238 30 10 JEEE COCc1nnc(SCC(=O)Nc2nccs2)n1/N=C/c1cc2c(cc1[N+](=O)[O-])OCCO2 1874501198 VOGYKSNLOYOZRO-DNTJNYDQSA-N 491.511 2.173 30 10 JEEE CCCNC(=O)CSc1nncn1/N=C/c1ccc(OCC(=O)N(CC)CC)c(OCC)c1 1874537889 CNOOGYKKYRACDR-DHRITJCHSA-N 476.603 2.425 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](CO)C1 2060135712 PXUAJDROLLXAMS-GVDBMIGSSA-N 454.568 2.308 30 10 JEEE CC1(C)OB(c2cccc(CCNS(=O)(=O)CCCN3C(=O)c4ccccc4C3=O)c2)OC1(C)C 2121789929 PQBRSYXIQWYFDX-UHFFFAOYSA-N 498.410 2.134 30 10 JEEE COC[C@@]1(C(=O)NC2CC(B3OC(C)(C)C(C)(C)O3)C2)CN(C(=O)OC(C)(C)C)CCO1 2124538696 MJIVCELDXCEVJO-WTOQYCPUSA-N 454.373 2.380 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)N1CCC=C(B2OC(C)(C)C(C)(C)O2)C1 2132676690 NGQPTMMAXMBLLF-INIZCTEOSA-N 472.413 2.105 30 10 JEEE C#CCN(C(=O)c1cc(I)cc(I)c1O)[C@H]1CCOC1 2146071250 DLZRQPUDLUMMNO-JTQLQIEISA-N 497.070 2.466 30 10 JEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1 2180984901 LQRZAMAUOFQIAQ-QGZVFWFLSA-N 484.424 2.201 30 10 JEEE CC(C)(C)OC(=O)N[C@H](C(=O)Nc1ccc(Br)cc1C#N)C1CS(=O)(=O)C1 2197521889 BGACWOPQQWVYLU-AWEZNQCLSA-N 458.334 2.197 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1COC[C@H]1NC(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2255534795 LXFIGHBDTSBMBE-XJKSGUPXSA-N 452.382 2.317 30 10 JEEE CC(C)(C)OC(=O)N[C@@]1(CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)CCOC1 2255704687 LGPCXUPFMYALRW-OAQYLSRUSA-N 452.382 2.461 30 10 JEEE Cc1sc(C)c(S(=O)(=O)NOCCNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2255952487 UMYOEQDVXFVMML-UHFFFAOYSA-N 476.426 2.399 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)s1 2256628617 KNVNRYKHKKIUGW-ZFWWWQNUSA-N 452.382 2.034 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C[C@H]1CCO 2267135857 BNSZCNXXTNJMFB-MRXNPFEDSA-N 466.409 2.491 30 10 JEEE CC(C)(C)OC(=O)N=S1(=O)CC2(CN(C(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)o3)C2)C1 2267197949 QUGSOFSAXUVGRS-UHFFFAOYSA-N 466.365 2.438 30 10 JEEE CN(C[C@@H](O)CNC(=O)OC(C)(C)C)C(=O)c1cc(F)ccc1B1OC(C)(C)C(C)(C)O1 2267402593 BPZWIEPGIBNBOA-HNNXBMFYSA-N 452.332 2.083 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC(C)(C)CNC(=O)OC(C)(C)C 2267528892 VHZIANFPZVTDSQ-UHFFFAOYSA-N 450.389 2.483 30 10 JEEE CC(C)(C)OC(=O)N1CC=C[C@@H](NS(=O)(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267719471 CGECFXXACMTLHM-QGZVFWFLSA-N 464.393 2.440 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1F 2268634851 KVXOHYQZQMDEQL-MEDUHNTESA-N 456.295 2.477 30 10 JEEE Cn1ncc(C(=O)NC[C@H]2CC3(CC3)CN2C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2281816937 FENHLTPHNNCCHI-OAHLLOKOSA-N 460.384 2.239 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2CN(C(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)C[C@@H]2C1 2281928758 RBGRITBOKMGVIV-OWCLPIDISA-N 460.384 2.474 30 10 JEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CCCCC[C@@H]2NC(=O)OC(C)(C)C)n1 2281951244 HINXASALAUBLIJ-GJZGRUSLSA-N 463.388 2.070 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@]2(C[C@H](NC(=O)c3csnc3B3OC(C)(C)C(C)(C)O3)CO2)C1 2282001348 ACGQBKCDRHPBLV-FPTDNZKUSA-N 479.408 2.341 30 10 JEEE CC(C)(C)OC(=O)N1[C@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)C[C@H]2COC[C@@H]21 2282009196 OUCKOTNJINSOMA-DZKIICNBSA-N 479.408 2.197 30 10 JEEE C[C@@H]1C[C@@H](NC(=O)C(F)(F)F)CN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2282042270 BOERFZSDGHXOLS-DGCLKSJQSA-N 459.249 2.049 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C 2282052663 BOKNGDMVCDOAIZ-HNNXBMFYSA-N 480.440 2.032 30 10 JEEE Cc1cc(C(=O)NC2(C(=O)O)CN(C(=O)OC(C)(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2282122025 GIDATJUUFHLCBO-UHFFFAOYSA-N 460.336 2.098 30 10 JEEE Cc1nc(C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)[C@@H](CO)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2282131048 RFHNQPKFFUDLRM-CABCVRRESA-N 481.424 2.098 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CCCO[C@H](CNC(=O)OC(C)(C)C)C1 2282182836 YCXSCKMKTDFCKR-QGZVFWFLSA-N 463.384 2.080 30 10 JEEE CC1(C)OB(c2csnc2C(=O)NC[C@@]23CN(Cc4ccccc4)C[C@@H]2CCO3)OC1(C)C 2282508944 DCAICCMIQMLAKR-MHECFPHRSA-N 469.416 2.463 30 10 JEEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)N(C(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)C1 2282589778 SATQTGKHZKHSDX-CVEARBPZSA-N 462.400 2.437 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C(=O)O)N(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)C1 2282634265 KADIQQQGPQCMLN-ZIAGYGMSSA-N 464.324 2.161 30 10 JEEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)C2(CC2)C1 2282833615 YLCAVANGFGWWRQ-UHFFFAOYSA-N 499.464 2.357 30 10 JEEE C[C@H]1CN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)CC[C@@H]1NC(=O)C(F)(F)F 2282878748 KIHSAANGBQSWBG-JSGCOSHPSA-N 496.382 2.266 30 10 JEEE CC1(C)OB(c2cc(C(=O)N[C@]34C[C@@H]3CN(Cc3ccccc3)C4)c(O)cc2O)OC1(C)C 2282913619 VTDWRYVSCQSLBL-NSYGIPOTSA-N 450.344 2.401 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(O)cc2O)C1 2282983837 NMGAXBVQXFWHHL-AWEZNQCLSA-N 462.352 2.384 30 10 JEEE CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C1 2283950650 NHMIYQGBYQWAGK-IBGZPJMESA-N 459.396 2.283 30 10 JEEE C[C@H](OC(C)(C)C)[C@H](NC(=O)OC(C)(C)C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2284055827 ZWXLNMIXPNERIS-STQMWFEESA-N 484.428 2.295 30 10 JEEE CC(C)(C)OC(=O)N[C@]1(C(=O)NCc2ccccc2B2OC(C)(C)C(C)(C)O2)C[C@H](CO)C1 2284055961 BUYCJMULUYLJLW-ONEIWYMKSA-N 460.380 2.268 30 10 JEEE CC(C)(C)OC(=O)N1CC2(CC[C@@H](C(=O)Nc3cccc(B4OC(C)(C)C(C)(C)O4)n3)O2)C1 2284133159 NOGDLMFWUOFBGV-HNNXBMFYSA-N 459.352 2.488 30 10 JEEE COC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)(C)C)C2)n1N=Cc1ccc(OC)c(O)c1 2327879824 LKYUYFULYKQHQI-CQSZACIVSA-N 461.544 2.254 30 10 JEEE CCOc1ccc(C=CC(=O)[C@@H]2CNCC[C@@H]2NC(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)cc1 2328155865 VINNHEZUQXLIFA-IMRHEYAYSA-N 475.545 2.447 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@@H](CNC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C1 2337344205 XSTCEYLIRXJNNW-AWEZNQCLSA-N 467.397 2.056 30 10 JEEE CN(CCc1nc(NC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)n[nH]1)C(=O)OC(C)(C)C 2362499343 SDRFPZANBRMNMS-UHFFFAOYSA-N 478.384 2.222 30 10 JEEE C[C@H](CNC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1)N1CCN(C(=O)OC(C)(C)C)CC1 2362568578 WUOBYCPIYDGYJA-OAHLLOKOSA-N 480.440 2.113 30 10 JEEE CC(C)n1cc(/C=N/Nc2nnc(SCC(=O)Nc3sc4c(c3C#N)CCC4)n2N)cn1 20920726 DCCRNOZEQNRFFI-QPJQQBGISA-N 470.588 2.368 30 10 JEEE CCOC(=O)C1CCN(c2nc3c(c(=O)[nH]2)[C@H](c2ccccc2Cl)[C@@H](C#N)C(=O)N3)CC1 72444630 XVOHEDWCPGWMSN-GDBMZVCRSA-N 455.902 2.427 30 10 JEEE CCOC(=O)[C@H](CCc1ccccc1)N[C@H](C)C(=O)[N@+]1(O)Cc2ccccc2C[C@H]1C(=O)O 575416833 FRVPQZOTSDXOCG-JZYKJPQASA-O 455.531 2.471 30 10 JEEE C=CCN1CCC(NC(=O)c2cc(S(=O)(=O)N3CCN(CC)CC3)ccc2Cl)CC1 1136669490 FTNKXBWGWIDFQY-UHFFFAOYSA-N 455.024 2.046 30 10 JEEE CN(CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 1167499172 DCUWEIUBAMZTLW-LEWJYISDSA-N 459.566 2.476 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCCO3)n2C[C@H]2CC(=O)N(CCOC)C2)c1 1286310937 HYXNWTDXKWGGRH-UNMCSNQZSA-N 494.596 2.071 30 10 JEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC([C@@H](O)c2ccc(F)cc2)CC1 1286343075 UBAXRQJGIGWHEA-UZLBHIALSA-N 463.579 2.391 30 10 JEEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CCOCC)CC1 1286351106 ANGBUZDCOULYRD-HXUWFJFHSA-N 476.622 2.158 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CC[C@@H]1CCO[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1286379874 DBFFOXAMGBKOCV-GGPKGHCWSA-N 479.647 2.028 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1CCC(=O)N[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1286391854 FCZRFVVZBVXNLZ-FPOVZHCZSA-N 471.627 2.109 30 10 JEEE C#CCN(c1nnc(CCCc2ccccc2)n1CCc1nnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1286392773 NRXJEEFTIUKQAD-HXUWFJFHSA-N 484.651 2.483 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cn2cc(Cl)cc(Cl)c2n1 1286408264 BBZSCYHEKFLDLH-AWEZNQCLSA-N 477.377 2.256 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1c[nH]c2ccccc12 1286446093 DFCCANLHOSIGAO-NRFANRHFSA-N 470.599 2.185 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1CCN1CCSCC1 1286458875 DLTKRYFWJMOSGR-UHFFFAOYSA-N 453.410 2.171 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2C[C@@]2(C)COCCO2)CC1 1286474987 ULDQOMYBAGWQEF-VWLOTQADSA-N 469.586 2.303 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3noc4c3COCC4)n2CCSCC(C)C)CC1 1286489842 CTAUKAPFXVUDRM-UHFFFAOYSA-N 472.615 2.361 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC2([S@@](C)=O)CC2)CC1 1286493206 SYBAUZPUFBPOCY-MGBGTMOVSA-N 490.029 2.387 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(COC)cc2)CC1 1286494974 WWXAEJZVEJZQOS-QFIPXVFZSA-N 451.571 2.333 30 10 JEEE C#CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1286506075 PLXLMBRWBCFXRH-IBGZPJMESA-N 479.647 2.482 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)CNC(=O)OC(C)(C)C 1286522068 GKVOQKGDTKDRQC-HYFFOGBASA-N 465.620 2.333 30 10 JEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CN(Cc3ccccc3)CCO2)CC1 1286652254 URCZLXSRRVTHST-UGKGYDQZSA-N 488.658 2.192 30 10 JEEE C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1286686023 AEDICUOJTOHPTE-LJQANCHMSA-N 472.615 2.405 30 10 JEEE C=CCCOCCn1c(N2CC(C)(C)O[C@]3(CCOC3)C2)nnc1[C@@]1(OCC)CCOC1 1286714767 WDMVROOIZJSCDB-DHIUTWEWSA-N 450.580 2.297 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(N2CCCC2=O)CC1 1286791651 YDCCLKMBLCVDLM-UHFFFAOYSA-N 456.978 2.416 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN(Cc2cccc(F)c2)CC1 1286816868 MOUCYOQJGGDZNO-UHFFFAOYSA-N 470.574 2.402 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCCc2ccccc2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1286821865 CJPQDNSZVJFYKO-RDPSFJRHSA-N 474.627 2.438 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)c1ccc(F)cc1 1286966640 AOSRTCFUVSCXGL-GJYPPUQNSA-N 464.567 2.150 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1CC(F)(F)CNC(=O)OC(C)(C)C 1286969058 DCPCPCKLRQDEGR-AWEZNQCLSA-N 455.510 2.156 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1CCC(=O)NC1CCCCC1 1288775925 IEOTXXSHRWAJOP-KRWDZBQOSA-N 487.630 2.235 30 10 JEEE CCn1cnnc1Cn1c(-c2cc(F)ccc2Br)nnc1N1CCO[C@H](C#N)C1 1295953264 FDPRHPUIQPRKJM-CYBMUJFWSA-N 461.299 2.235 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(=O)N[C@H](C)CC)c1 1300307095 BNIHYBQSLMJFOX-FUHIMQAGSA-N 457.600 2.215 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1CC1([S@](C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1300489921 WCEMZTCBJPYBOF-FOGNVHKLSA-N 485.006 2.275 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1COc2ccccc2O1 1300537722 JMDXGAWXUBOXOS-VQTJNVASSA-N 493.564 2.499 30 10 JEEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2C[C@@H](C(CC)CC)N2CCOCC2)CC1 1300703233 CEZZSEOONYPBMU-DEOSSOPVSA-N 465.646 2.156 30 10 JEEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2C[C@H]2CCS(=O)(=O)C2)CC1 1300708589 VVAZLYKOTOPZFI-OAQYLSRUSA-N 485.654 2.479 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCc2ccc(C)cc2C)CC1 1300728655 CYTAPCZGFKYTAB-UHFFFAOYSA-N 462.598 2.226 30 10 JEEE C=C(Br)Cn1c(N2CCO[C@]3(CCOC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1300862699 CGSNYYLFKFZDGV-RTBURBONSA-N 457.369 2.223 30 10 JEEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1301239010 JLYCPDQVOYLGMK-KDURUIRLSA-N 474.606 2.410 30 10 JEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 1301258008 JCRDSWMGSNSENS-WOJBJXKFSA-N 462.620 2.428 30 10 JEEE C=CCN(c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(=O)NCC(F)F)C1CC1 1301315816 BFUKEAAFAWBESU-UHFFFAOYSA-N 467.546 2.083 30 10 JEEE C=CCNC(=O)Cn1c(Cn2ccc3ccccc32)nnc1N1CCO[C@@H](COC(C)C)C1 1301509888 PCRBALFNOOJDHP-HXUWFJFHSA-N 452.559 2.214 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1301515853 ZSZOQMNWKHFOCZ-NRFANRHFSA-N 465.558 2.262 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H]2CCCOC2)nnc1N1CCC(NS(C)(=O)=O)CC1 1301528775 FBSGSJWLZNFPEA-IBGZPJMESA-N 475.615 2.303 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccn(-c2ccc(F)cc2)n1 1301952157 HRYADVDZWJAENR-HZPDHXFCSA-N 474.566 2.052 30 10 JEEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N(C)C2CCCCC2)C[C@H]1OC 1316332807 FLOVKUBMTYMYDF-SZPZYZBQSA-N 482.585 2.370 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C)n2Cc2ccc(N3CCN(CC)CC3)nc2)c1 1358901342 HPVDKPPWKFEXKE-UHFFFAOYSA-N 472.597 2.228 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1(SC)CC1)[C@H]1CCS(=O)(=O)C1 1358958650 SVTXKDJKTDEZOX-KRWDZBQOSA-N 461.569 2.376 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H](C)Oc1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 1358960417 DPZCZWMEVNBLNZ-ICSRJNTNSA-N 481.578 2.443 30 10 JEEE C#CCN(c1nnc(-c2cn(C)c3ccccc23)n1CCCNC(=O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1358960519 GMKJYWIGGRMKTK-LJQANCHMSA-N 496.637 2.226 30 10 JEEE C#CCN(c1nnc([C@H]2COc3ccccc3O2)n1CCCN(C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1358963030 AOPYTYNTZSCFOM-DENIHFKCSA-N 487.626 2.148 30 10 JEEE C#CCN(c1nnc(Cn2ccc3ccccc32)n1CCOCC(F)F)[C@H]1CCS(=O)(=O)C1 1358965749 AJVPEBMVHSCKHM-SFHVURJKSA-N 477.537 2.190 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)cc2)n1CCNS(=O)(=O)Cc1ccon1 1359067319 JERUQLLOADUWCU-JOCHJYFZSA-N 470.555 2.053 30 10 JEEE C=C(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1359120674 RJPLCVAAVFQOIN-UHFFFAOYSA-N 495.675 2.065 30 10 JEEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1359215820 JUQODBFQJROUKT-SFHVURJKSA-N 453.609 2.451 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1=CCCOC1 1359256993 WNVXHAHYHBBKHG-QFIPXVFZSA-N 498.609 2.022 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(c2cnn(C)c2)CC1 1359334384 DAYYBNSFCLYQID-UHFFFAOYSA-N 495.609 2.447 30 10 JEEE CN1CC[C@](O)(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(NC(=O)OC(C)(C)C)CC2)C1 1503677557 GZSNYKLZEVYEQL-RUZDIDTESA-N 481.601 2.377 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1Cc1cccn(CC)c1=O)[C@@H]1CCS(=O)(=O)C1 1507637330 AKWZCOKWTPPKMR-OAQYLSRUSA-N 495.605 2.022 30 10 JEEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1507673232 QOQPFKZOCBWQSZ-QFIPXVFZSA-N 472.597 2.271 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H](OC)C2CC2)CC1 1507733803 BFDHCKCRNCUZQA-SFHVURJKSA-N 475.391 2.427 30 10 JEEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCN(CC(=O)NCc2ccccc2)CC1 1507748042 LWZCGFHFJUETSF-UHFFFAOYSA-N 475.622 2.145 30 10 JEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCN(c2nc(C)c(C)s2)CC1 1507847021 DKMBLAHMEJCCNE-UHFFFAOYSA-N 459.620 2.393 30 10 JEEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(=O)c2ccccc2)CC1 1507942145 BSLOTUMGXUWOSX-GOSISDBHSA-N 460.604 2.207 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCC[C@@H](C(=O)NC)C1 1508073801 PHEGBTTUGASVOW-CYBMUJFWSA-N 479.354 2.111 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1508079311 QKEGDPCOTPDPRX-NQIIRXRSSA-N 471.558 2.039 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](CN2CCCCCC2)C1 1508096195 CQVBLTVNGYMFRM-FUDKSRODSA-N 474.650 2.397 30 10 JEEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCc2nc(O)c(C#N)cc2C1 1508171954 YLZJKAKGUDTABH-KXBFYZLASA-N 456.572 2.456 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC[S@@](=O)C(C)(C)C 1508416079 DJJZEQUYJBFAOS-BBFFTDKLSA-N 455.588 2.335 30 10 JEEE CCS(=O)(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C2CC2)N(C)C)CC1 1516829978 BDNOHSQTZDEJIG-NRFANRHFSA-N 471.631 2.065 30 10 JEEE CN(C)C(=O)CCn1c(-c2cc(F)ccc2Br)nnc1N1CCO[C@@H](C#N)C1 1516960534 AHHBXNRGFLJLHU-ZDUSSCGKSA-N 451.300 2.054 30 10 JEEE C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3ncc4c(c3C#N)COCC4)cc2)C[C@@H](C)O1 1529114886 BBEZAKYNJDCVOK-HUUCEWRRSA-N 456.524 2.076 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CC[C@H](F)C2)c1 1539043949 XLTRZARREHPHEL-QRVBRYPASA-N 473.574 2.375 30 10 JEEE C#CCCCn1c(-c2cc(F)ccc2Br)nnc1N(C)CCNS(C)(=O)=O 1539097928 ZRPLWJYZSMYCRJ-UHFFFAOYSA-N 458.357 2.246 30 10 JEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1539101921 MOVVHFQQQZEPHG-OAQYLSRUSA-N 497.625 2.019 30 10 JEEE C#CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1539101993 PCUREAPCWLQAFM-QFIPXVFZSA-N 451.487 2.081 30 10 JEEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N(CCO)Cc1ccc(Br)s1 1539115795 BZYXEFCBOBRDKE-AWEZNQCLSA-N 452.378 2.466 30 10 JEEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1[C@@H]1CCC[C@H](C(F)(F)F)C1)[C@@H]1CCS(=O)(=O)C1 1539216250 PUQXRUHJJYCZMK-JJXSEGSLSA-N 473.521 2.150 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CCN(CC(F)(F)F)C1 1539315172 GGJFHQRHWALWBF-INIZCTEOSA-N 462.476 2.353 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@]2(O)CCO[C@@H]2C)CC1 1539470376 NCGQNEKQJFBIMC-WAIKUNEKSA-N 457.962 2.104 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@H](C)N2CCC(C)CC2)CC1 1539481663 CPVWIRUUCHZFPR-NRFANRHFSA-N 463.630 2.350 30 10 JEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1539490346 BAJYXBKPXDXAJB-KRWDZBQOSA-N 464.636 2.476 30 10 JEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(CS(=O)(=O)NC(C)C)cc1 1539682685 PJAFAPZVKQNWAR-LJQANCHMSA-N 451.589 2.437 30 10 JEEE C=C(C)COCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1539735666 OAKMDDLOGLWQOP-IBGZPJMESA-N 479.589 2.207 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(COC)CC1 1539916496 LFLKVTOVPSXLMF-SFHVURJKSA-N 469.652 2.466 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCO2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1540126534 IENFKKNVDRCZHN-NHCUHLMSSA-N 470.599 2.475 30 10 JEEE C=CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1(S(C)(=O)=O)CCC1 1540194115 HXNMLVQAJIYZLR-UHFFFAOYSA-N 462.572 2.322 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(COc3ccccc3CC)n2CC(=O)N2CCOCC2)C1 1540896985 YCXHYBMYIMNBKL-FQEVSTJZSA-N 455.559 2.060 30 10 JEEE CC(C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[S@](=O)C(C)(C)C)CC1 1541703835 AMZOHZWZLWIRIW-UMSFTDKQSA-N 485.658 2.011 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCO[C@H]2C(=C)C)c1 1587692599 GLTAEOAYDAYCEP-LEDOBFOHSA-N 462.554 2.267 30 10 JEEE C#CCCCn1c(N(C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)nnc1[C@@]1(OCC)CCOC1 1587894119 NVVZELSSZFNSFS-HTAPYJJXSA-N 461.588 2.188 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@](C)(O)CCOC)[C@H]1CCS(=O)(=O)C1 1588041327 WHNBYQWOSMYKTK-JTSKRJEESA-N 497.017 2.021 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1Cc1c(C)nn(C)c1C)[C@@H]1CCS(=O)(=O)C1 1588058843 DMKKSDMDJNUPOP-HXUWFJFHSA-N 470.574 2.033 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1CCN1CCCCCC1)[C@H]1CCS(=O)(=O)C1 1588064484 IVZTZTJPQSZNIM-QFIPXVFZSA-N 485.654 2.380 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCC(=O)N(C)C 1589164387 SLKAWGCBAIKFII-JOCHJYFZSA-N 457.604 2.017 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCc2cc(OC)c(OC)cc2CC1 1595799399 ZQUDMBQFFUAETG-HXUWFJFHSA-N 490.626 2.395 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCOC[C@H](C2CCC2)C1 1595812466 VHOZXDSABSKHCE-GOSISDBHSA-N 465.645 2.488 30 10 JEEE CC(C)CCN(CCC#N)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1606951289 AHSNOJOYNSVONU-JOCHJYFZSA-N 456.572 2.133 30 10 JEEE Cc1cc([C@](C)(O)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@](C)(C#N)C2)c(C)o1 1611902589 BCAHRDNRLPTJBB-ONGXBYRLSA-N 464.592 2.136 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CC(F)(F)F 1613588348 FXDCUOKZXSQHNR-ZDUSSCGKSA-N 465.484 2.136 30 10 JEEE CN(C)C(=O)Cn1c(-c2cccn2C)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1617612085 CQWVTEWLWXAKNT-UHFFFAOYSA-N 452.950 2.223 30 10 JEEE COCCn1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](CNC(C)=O)C2)cn1 1619923967 HKOLZOMGKFDHGQ-FQEVSTJZSA-N 462.558 2.060 30 10 JEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(CN2CCC(C(N)=O)CC2)cc1 1626539549 HMWXXGSVWCLQDJ-NRFANRHFSA-N 456.587 2.307 30 10 JEEE CCOC(=O)[C@@H]1Cc2cc(S(=O)(=O)N3CCN(c4ccc(F)cc4C#N)CC3)ccc2O1 1665036042 ACAPJCJSZDWULL-NRFANRHFSA-N 459.499 2.075 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCNC(=O)C(C)(C)C 1689861067 NMZDSKHKLUUJIR-OAQYLSRUSA-N 465.646 2.263 30 10 JEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1689916443 KFDOLTKMTHGNTH-JOCHJYFZSA-N 484.670 2.367 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1Cc1ccc(CC)s1)[C@@H]1CCS(=O)(=O)C1 1689977780 CMFDTSYGIPRJPB-QGZVFWFLSA-N 477.656 2.495 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1689982746 SWPSCDGXUOPHSH-HXUWFJFHSA-N 483.554 2.075 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1Cc1cn(CCCC)nc1C)[C@@H]1CCS(=O)(=O)C1 1689985847 CUDCPRUWEYYSJE-HXUWFJFHSA-N 469.615 2.264 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@]1(O)CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1689994342 WNGKAFOZQUCSFN-XMSQKQJNSA-N 462.641 2.498 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCCOC1CCCC1)[C@H]1CCS(=O)(=O)C1 1689996961 SFMQKPHJXSOYAX-FQEVSTJZSA-N 474.631 2.116 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C/C=C\c1ccccc1)[C@H]1CCS(=O)(=O)C1 1689998292 IDROLVLXXXZNKY-RFFUADQSSA-N 470.595 2.342 30 10 JEEE C#CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccoc1)[C@H]1CCS(=O)(=O)C1 1689998688 TWYPKUILMFLYAF-OTWHNJEPSA-N 489.598 2.317 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC[S@](=O)C(C)(C)C 1690013318 KHCVHTWPUUMABF-XIFFEERXSA-N 464.595 2.295 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCOC2)n1C[C@@H]1C[C@@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1690046751 GOANWDFXEISWQW-CGXNFDGLSA-N 469.586 2.269 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC[C@H]2COCCO2)CC1 1690139338 IMVJDXDXMLYDNY-FQEVSTJZSA-N 457.962 2.370 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2(SC)CCC2)CC1 1690152198 BPUILMRFRMLVOF-UHFFFAOYSA-N 455.632 2.391 30 10 JEEE C#CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCCN(CC)C(=O)C1 1690156051 RLVMUZRWOZJMLI-UHFFFAOYSA-N 475.018 2.287 30 10 JEEE C#CCSCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(C(=O)COC)CC1 1690182611 DALVUXUVLSGULP-UHFFFAOYSA-N 457.600 2.135 30 10 JEEE C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1690276224 RHEFWAWECVMHLX-INIZCTEOSA-N 476.379 2.389 30 10 JEEE C=C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC(=O)N(CCOC)C2)CC1 1690382435 OICDPVHEMDYPCT-HXUWFJFHSA-N 450.543 2.380 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(Cl)c2c(c1)OCCO2 1690622048 GTIXLXGTHKCLDZ-INIZCTEOSA-N 482.990 2.292 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(c2c(F)cccc2OC)CC1 1690722319 FJPUONRRQUIGFE-UHFFFAOYSA-N 486.573 2.415 30 10 JEEE CCNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1695911939 CDELBCIXKVEVDV-HOTGVXAUSA-N 460.604 2.237 30 10 JEEE COCCC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1697921174 IAQCHSWEGOJRQY-IBGZPJMESA-N 461.588 2.415 30 10 JEEE N#CCC1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1698491573 GQSGJXOCCDBJQD-OAQYLSRUSA-N 463.991 2.202 30 10 JEEE C#CCN(c1nnc(CCCc2ccccc2)n1CCc1cn[nH]c1)[C@@H]1CCS(=O)(=O)C1 1705570085 MJBGOKJDCNCASE-OAQYLSRUSA-N 452.584 2.046 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1(O)CC(OCC)C1 1705587315 QDTFBNKOANIKKL-SZTYLXMGSA-N 457.575 2.353 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(OC)ccc2Br)n1CC1(S(C)(=O)=O)CC1 1705623147 HZMSZBNKZXEFMF-UHFFFAOYSA-N 497.415 2.379 30 10 JEEE C#CCN(CCOC)c1nnc(Cc2ccccn2)n1Cc1cc(F)ccc1N1CCOCC1 1705629348 FPJQVQCGJBWXQK-UHFFFAOYSA-N 464.545 2.374 30 10 JEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)c2ccccc2OCC)CC1 1705663671 BRAAFQPMRUQANZ-UHFFFAOYSA-N 496.637 2.128 30 10 JEEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C(C)=O)cc2F)CC1 1705725558 IGGMUCFBCPNLNW-GOSISDBHSA-N 461.563 2.425 30 10 JEEE C=C(Cn1c([C@@H](C)OCCOC)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O)c1ccccc1 1705741227 JRMNLDAXGMPYKT-GOSISDBHSA-N 468.558 2.236 30 10 JEEE C=CCC(C)(C)Cn1c(COc2ccc(C)cc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1705794499 KIYUBHNKLFMVAG-UHFFFAOYSA-N 479.589 2.103 30 10 JEEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2ccsc2)CC1 1705800515 ZUXGKUPPXHNXGS-INIZCTEOSA-N 466.633 2.269 30 10 JEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1705946973 WLAFBWLWJIWJHO-AWEZNQCLSA-N 466.551 2.447 30 10 JEEE Cc1ccccc1-c1nnc(N2CC[C@](F)(C#N)C2)n1CCS(=O)(=O)N1CCSCC1 1707647288 CACMTRWCQKAUFO-FQEVSTJZSA-N 464.592 2.074 30 10 JEEE CS(=O)(=O)CC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(C#N)CC2)CC1 1712694927 DGSWGRBXBRPPLN-UHFFFAOYSA-N 454.556 2.294 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CC1(C(=O)NCC)CCC1)[C@@H]1CCS(=O)(=O)C1 1722360471 ULZFNJUJGQPNIN-OAQYLSRUSA-N 483.638 2.441 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1C[C@@H]1NC(=O)CC1(C)C)[C@H]1CCS(=O)(=O)C1 1722360789 WECLYZWQNPZQAB-PMACEKPBSA-N 469.611 2.049 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@H]1CCN(CCC)C1)[C@H]1CCS(=O)(=O)C1 1722364012 DKNLFMKVHDVHLH-UNMCSNQZSA-N 485.654 2.236 30 10 JEEE C#CCN(c1nnc(C2CCC2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1722367624 NBAOTFZLDHGAOZ-AEFFLSMTSA-N 465.620 2.428 30 10 JEEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC1CCC(C(F)(F)F)CC1)[C@H]1CCS(=O)(=O)C1 1722368656 SKTNQMHRNCFIDY-GQGLESIBSA-N 487.548 2.225 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(N2CCC(C)CC2)nc1 1722418802 DIBPRYAXFYINRX-UHFFFAOYSA-N 465.602 2.280 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@](C)(O)c2ccco2)CC1 1722436218 ZZTKKCCVBGGGEZ-XMMPIXPASA-N 451.527 2.218 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2C[C@H]2CCCCS2(=O)=O)CC1 1722448674 GCIRJFLYZLWJJH-JOCHJYFZSA-N 483.638 2.110 30 10 JEEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(c2cnccn2)CC1 1722455807 WFWWVIVYUTURAY-UHFFFAOYSA-N 450.528 2.336 30 10 JEEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1722458364 ZWHFURKKQBLXOJ-PGRDOPGGSA-N 467.643 2.004 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCS(=O)(=O)CC1 1722491259 JIAHABINOSRBPT-QUCCMNQESA-N 473.599 2.363 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1Cc1cccs1 1722523207 HBPJVVIWSHIPBB-FUHWJXTLSA-N 451.618 2.460 30 10 JEEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(C)=O)C[C@@H]1C 1722552555 RWOZGQHAPDSHPT-RDJZCZTQSA-N 468.986 2.396 30 10 JEEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1722701446 QBMDCLDEPFFIBL-SFHVURJKSA-N 462.595 2.043 30 10 JEEE C=CCNC(=O)Cn1c(N2CCO[C@H](c3ccc(F)c(F)c3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1722704191 PZOZYJRGUKVWQE-GBXCKJPGSA-N 491.539 2.477 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2C[C@](C)(O)CCOC)C1 1722713921 KBBRRDYNEUPACJ-QMHKHESXSA-N 454.531 2.163 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 1722726652 HLZDYHHTEBHKPB-MRXNPFEDSA-N 453.609 2.497 30 10 JEEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCOc2cccc(Cl)c2)C1 1731180816 DTKHCFIRIGRYFF-IFXJQAMLSA-N 453.927 2.355 30 10 JEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(c2ncccc2F)CC1 1740574016 IVZIIWJSHGHDMD-SFHVURJKSA-N 460.579 2.235 30 10 JEEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCC(C)CC2)cc1 1740631096 PCRZFDKKEJNAKJ-FQEVSTJZSA-N 468.627 2.246 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCc1nc2c(s1)CCCC2 1740640922 ZHZDVROGPFWOFN-KRWDZBQOSA-N 457.625 2.221 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCC(=O)N1CCOCC1 1740659476 NIEOGZMLMJRGER-FQEVSTJZSA-N 484.601 2.062 30 10 JEEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1740722720 IPROUZYIORMZGE-KKXBDNRESA-N 450.605 2.141 30 10 JEEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCCCC2)C(=O)C1 1740858474 REIUUUSLYLKRQL-KRWDZBQOSA-N 452.625 2.226 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCN(C(C)=O)C[C@H]1C 1740954604 BXOBPRIUDNFJBM-QGZVFWFLSA-N 470.574 2.102 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCC(S(C)(=O)=O)CC1 1740990062 HMYODIZYBDXVEF-UHFFFAOYSA-N 491.639 2.051 30 10 JEEE C=CCSCCn1c(N2CCO[C@](C)(c3cnn(C)c3)C2)nnc1[C@]1(OCC)CCOC1 1741004788 MHJFPOWPUJNMHJ-VXKWHMMOSA-N 462.620 2.335 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCCN1CCCO[C@H](C)C1 1741674059 DKOCBOBXWIDKHF-OAQYLSRUSA-N 494.644 2.115 30 10 JEEE COC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2C[C@H](C)O[C@@H](C)C2)CC1 1748352969 ICKVPPXNXFXGBO-PMACEKPBSA-N 497.600 2.116 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(=O)N[C@H](C)CC 1748672920 BLXGDGNWMPBAFP-FGTMMUONSA-N 462.595 2.349 30 10 JEEE C#CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@H](C(=O)OC)C1 1748712196 FLTCUBOWXACUCU-KRWDZBQOSA-N 458.588 2.431 30 10 JEEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccncc1Cl)[C@@H]1CCS(=O)(=O)C1 1748804454 IAGROGQNZKVXHR-XMSQKQJNSA-N 494.017 2.042 30 10 JEEE C#CCN(c1nnc(C2CC2)n1CC1=CCN(C(=O)OC(C)(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 1748814172 AFIVBTJRWZOTLO-LJQANCHMSA-N 475.615 2.349 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@H](C)N1CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1748819667 RECLEMVGDBEAOW-URVUXULASA-N 470.643 2.011 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2cc(Cl)c(OC)c(OC)c2)CC1 1749008818 BXQSBPKCVNNQGH-SFHVURJKSA-N 487.988 2.467 30 10 JEEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(N(C)C(C)=O)CC1 1749032417 GUVFFVSRXACFMY-UHFFFAOYSA-N 479.610 2.006 30 10 JEEE C=C(Cn1c(CN2CCCC2=O)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C)c1ccccc1 1749246041 FGQCAYNDOWXODW-RBBKRZOGSA-N 480.613 2.481 30 10 JEEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1749268963 KIYXCLIPNCEFJH-NJSLBKSFSA-N 457.984 2.036 30 10 JEEE C=CCC(C)(C)Cn1c(CCc2ccccc2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1749372986 CQYARSYFFJPPPO-UHFFFAOYSA-N 494.640 2.173 30 10 JEEE Cc1c(Cn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N2CCC(C#N)CC2)cnn1C 1751363330 AWZASYJHAMXRPZ-UHFFFAOYSA-N 468.587 2.026 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCC(=O)NC(C)(C)C 1760121393 VGKSENYDOYSMKZ-OAQYLSRUSA-N 465.646 2.406 30 10 JEEE C#CCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1760149039 UURJKPOFLPGZTM-UHFFFAOYSA-N 472.977 2.194 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC[C@@H]1CCO[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1760189824 WXULZTJJXCFDFL-NMLBUPMWSA-N 450.605 2.004 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@@H]1CCC[C@@H](O)C1)[C@@H]1CCS(=O)(=O)C1 1760192602 WFDIBACTHIWUBG-NJDAHSKKSA-N 472.611 2.343 30 10 JEEE C#CCN(c1nnc(COc2ccccc2OCC)n1C[C@@H]1CCCOC1)[C@@H]1CCS(=O)(=O)C1 1760193346 XMFFGPQCJVQRRH-VQTJNVASSA-N 488.610 2.309 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC[C@@H]2CCOC2)CC1 1760251777 HOTJAIUFBBTFAY-LJQANCHMSA-N 456.978 2.043 30 10 JEEE C=C(C)Cn1c(COc2ccc(Br)cc2)nnc1N(C)CCNS(C)(=O)=O 1760347916 GEVUGMKERNNFTM-UHFFFAOYSA-N 458.382 2.181 30 10 JEEE C=C(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C(=O)NCCC)C1)c1ccccc1 1760362289 GFJAIFZQVVWODH-UYAOXDASSA-N 474.631 2.344 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1760416323 AMFBHGJSHNNROV-FPOVZHCZSA-N 483.617 2.425 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1760525099 UELXAZAFDWELEE-UHFFFAOYSA-N 480.544 2.482 30 10 JEEE C=CCSCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCO[C@H](C(=O)NC)C1 1760561246 VCBZYQWTOFLWAH-IBGZPJMESA-N 453.572 2.206 30 10 JEEE CC1(C)CN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCCS2(=O)=O)CC(C)(C)O1 1761562644 FJTMZURFLASMKZ-UHFFFAOYSA-N 458.588 2.246 30 10 JEEE COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCC(=O)NC(C)C)cc1Br 1768530522 GBOANMTZVQTZIF-HNNXBMFYSA-N 477.363 2.360 30 10 JEEE CN(CC1CCOCC1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCS(=O)(=O)C1 1768818365 GXFUGMSVNIRKTA-FQEVSTJZSA-N 473.599 2.416 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@@H](CC(N)=O)C1 1772660462 CHKJZPPSOMTXET-KRWDZBQOSA-N 468.583 2.186 30 10 JEEE Nc1cccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccccc2C(=O)O)c1 1862559265 KRAWPIOKBKUNEM-OAQYLSRUSA-N 465.506 2.268 30 10 JEEE COc1cc([C@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2CCNC(C)=O)ccc1O 1862574272 HPLCAGUZRJQPCU-NRFANRHFSA-N 470.478 2.132 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)COc3cccc4c3C(=O)N(CCOC)C4=O)cc21 1865809034 HZCCPSVFSHJZNN-UHFFFAOYSA-N 450.447 2.102 30 10 JEEE N#Cc1nnn(Cc2cc([N+](=O)[O-])cc3c2OCOC3)c1NC(=O)COCc1ccccc1 1870111182 BYAYDICSJQDDIT-UHFFFAOYSA-N 450.411 2.128 30 10 JEEE COCCN1CC(=O)C(c2nc(C)cs2)=C1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C 1873710464 GAECIFBDLOKTFB-UHFFFAOYSA-N 461.456 2.206 30 10 JEEE COc1cc(/C=N/n2c(CCCOc3ccccc3)nnc2SCC(N)=O)cc(OC)c1O 1874317191 GNQPPZAVOXZMGJ-ZMOGYAJESA-N 471.539 2.472 30 10 JEEE CN1CCN(CC#CCOC2CCN(C(=O)COCc3nc4ccccc4s3)CC2)CC1 1890437178 ZQNZJKRDBRCUFH-UHFFFAOYSA-N 456.612 2.071 30 10 JEEE COc1ccc(-c2ccc(=O)n([C@H](C)C(=O)N3CCC[C@H](Oc4nccnc4C#N)C3)n2)cc1 1891556854 NLHNNPWHDRFGID-APWZRJJASA-N 460.494 2.212 30 10 JEEE C=C(Br)CS(=O)(=O)NC(CNC(=O)OC(C)(C)C)CNC(=O)OC(C)(C)C 1954223890 WIUIAAVMELMSHT-UHFFFAOYSA-N 472.402 2.232 30 10 JEEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C(=O)O)C1 2062870715 AJRWHHRLUPOWQA-OAHLLOKOSA-N 453.536 2.380 30 10 JEEE CC1=C(CO)C(=O)O[C@H]([C@H](C)[C@@H]2CC[C@@H]3[C@H]4C[C@@H](O)[C@@]5(O)[C@H](O)C=CC(=O)[C@@]5(C)[C@@H]4CC[C@@]23C)C1 2085667653 MYGPMUHRIQQNSB-FXTGUWHLSA-N 488.621 2.307 30 10 JEEE CC(C)(C)OC(=O)NCc1cc(O)nc(CNCc2occc2B2OC(C)(C)C(C)(C)O2)n1 2157532726 QLLUDPVYDNOKEB-UHFFFAOYSA-N 460.340 2.389 30 10 JEEE CC(C)(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 2230873951 QJYUGNNJCOFTML-SFNKJDCFSA-N 465.591 2.273 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H](CO)NC(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2255683916 DCIVJLLDLNYAGT-AWEZNQCLSA-N 454.760 2.255 30 10 JEEE CC(C)(C)OC(=O)N1CC(NS(=O)(=O)Cc2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2255952537 VLQYZLAMMMNADQ-UHFFFAOYSA-N 452.382 2.025 30 10 JEEE C[C@@H]1COC[C@@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)s2)N1C(=O)OC(C)(C)C 2256628102 DWJKEMNIBHJCON-OLZOCXBDSA-N 453.370 2.405 30 10 JEEE CC(C)(C)OC(=O)N[C@]12CO[C@](C(=O)Nc3ncc(B4OC(C)(C)C(C)(C)O4)s3)(C1)C2 2256732948 ILUYKQTZQOYGJN-MXVIHJGJSA-N 451.354 2.207 30 10 JEEE Cc1sc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2O)cc1B1OC(C)(C)C(C)(C)O1 2267118346 JWCLZAYJJHWYOT-JKSUJKDBSA-N 466.409 2.456 30 10 JEEE CN([C@H]1CC[C@H]1OCc1ccccc1)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2267377800 IEWRYXJXLNKPSW-RBUKOAKNSA-N 461.393 2.088 30 10 JEEE C=C(CS(=O)(=O)N1C[C@H](NC(=O)OC(C)(C)C)C[C@]12CCOC2)B1OC(C)(C)C(C)(C)O1 2267467969 HAXHYWGYMXIXEB-IERDGZPVSA-N 472.413 2.262 30 10 JEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC(C)(C)[C@@H]2CCCN2C(=O)OC(C)(C)C)n1 2281953511 LNRBIEODRCNCEL-AWEZNQCLSA-N 463.388 2.022 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1[C@H]2CC[C@H]1CN(Cc1ccccc1)C2 2282040285 HJNKWMFVZVIEAB-OALUTQOASA-N 450.392 2.360 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)n1 2282041297 VCBZNFHOWMPOOI-MRXNPFEDSA-N 461.368 2.055 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2C(NS(=O)(=O)Cc3ccccc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2282506849 YLAWMVOVBTUMTB-IRXDYDNUSA-N 478.420 2.271 30 10 JEEE Cn1ncc(C(=O)N2C[C@H]3CCC[C@@]3(NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2282538108 ATQMMZGHCKEZMK-IQMFZBJNSA-N 460.384 2.239 30 10 JEEE C[C@H]1CCN(C(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)C[C@@H]1CNC(=O)OC(C)(C)C 2282553226 WITNMYZRSAIGOI-HOTGVXAUSA-N 462.400 2.342 30 10 JEEE C[C@@H]1C[C@H](CNC(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2282575244 ALYZYTWTMWHEMS-HZPDHXFCSA-N 462.400 2.485 30 10 JEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)Nc2cccc(CNC(=O)OC(C)(C)C)c2)n1 2282624281 LKFCXHTVGDVNAT-UHFFFAOYSA-N 457.340 2.391 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)C[C@]12CCOC2 2282624830 ZMFBFBSJWGYUMS-CMJOXMDJSA-N 462.352 2.477 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2O)c1 2282684524 RQHNXGJCMDCHGL-RBUKOAKNSA-N 460.380 2.394 30 10 JEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCc1cnc(NC(=O)OC(C)(C)C)s1 2282854362 QNNIKIOOJNRZGD-UHFFFAOYSA-N 499.424 2.001 30 10 JEEE C[C@H](c1nscc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)[C@H](CN(C)C)NC(=O)OC(C)(C)C 2283979475 NMJXUWUYHRCFEE-ZBFHGGJFSA-N 482.456 2.417 30 10 JEEE CO[C@@H]1[C@H](OC)CN(C(=O)OC(C)(C)C)[C@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2284042910 WPZNYIKYOHALFK-BPLDGKMQSA-N 483.396 2.030 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](C(=O)O)N(c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2284355515 CVBJYWJGPOTOOC-ZBFHGGJFSA-N 465.331 2.467 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N[C@H]1COCC[C@H]1NC(=O)OC(C)(C)C 2285206138 UTHPFZARONAVMP-SJORKVTESA-N 461.368 2.101 30 10 JEEE C[C@H](O)CN(CCNC(=O)OC(C)(C)C)C(=O)c1cc(F)ccc1B1OC(C)(C)C(C)(C)O1 2285350755 QXODAMXDOMVPAI-HNNXBMFYSA-N 466.359 2.473 30 10 JEEE CC#CCN(CC(=O)N1CCC(CO)(CNC(=O)OC(C)(C)C)CC1)C(=O)OC(C)(C)C 2316011478 NZCSNOUAXCQDJK-UHFFFAOYSA-N 453.580 2.373 30 10 JEEE COc1ccc(OC)c(C=Nn2c(CNC(C)=O)nnc2SCC(=O)Nc2nccs2)c1 2330749798 IUXSDBBTKZJINP-UHFFFAOYSA-N 475.556 2.001 30 10 JEEE CC(=O)NCc1nnc(SCC(=O)N[C@H](C)c2ccccc2)n1N=Cc1ccc(O)cc1O 2330794220 CEXSAEVEATVRHO-CQSZACIVSA-N 468.539 2.177 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)Nc1cc(F)c(F)cc1B1OC(C)(C)C(C)(C)O1 2351772135 WJVQXDQBKDBCGP-MEDUHNTESA-N 456.295 2.477 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CS(C)(=O)=O)C(=O)Nc1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2360640211 AFMDHQMKBYFAFL-MRXNPFEDSA-N 486.371 2.001 30 10 JEEE CC(C)(C)OC(=O)N1CCN(NC(=O)c2cc(F)c(B3OC(C)(C)C(C)(C)O3)cc2O)CC1 2364881175 JOUUTAGKRRXVOS-UHFFFAOYSA-N 465.331 2.028 30 10 JEEE COCCn1c2c(c(=O)[nH]c1=O)[C@@H](c1ccc(NC(C)=O)cc1)C1=C(N2)c2ccccc2C1=O 20059166 ZVTVYHXRYSLXAD-SFHVURJKSA-N 458.474 2.306 30 10 JEEE CCCCN/C(O)=N/S(=O)(=O)c1ccc(NC(=O)CN2CC(=O)Oc3ccc(C)cc32)cc1 31835309 QSLLDIFCXPQPLN-UHFFFAOYSA-N 474.539 2.352 30 10 JEEE C=CCN(Cc1cnc(S(=O)(=O)Cc2cccc(OC)c2)n1CCOC)C(=S)NCC 36032168 IAFDKNJVZZWBNY-UHFFFAOYSA-N 466.629 2.394 30 10 JEEE Cc1nn(CCO)c(C)c1/C=N/Nc1nc(SCC(=O)Nc2ccc(F)c(F)c2)n[nH]1 59887834 WZNAJAUXKYTFRP-ODCIPOBUSA-N 450.475 2.065 30 10 JEEE COc1cc(NC(=O)CSc2nnc(NN=Cc3ccc(OC)c(OC)c3)n2N)cc(OC)c1 1084108616 AAEQLWNOXVLFGJ-UHFFFAOYSA-N 487.542 2.203 30 10 JEEE C=CCSc1nnc(NC(=O)CSc2n[nH]c(NN=Cc3c(C)nn(C)c3C)n2)s1 1084120414 SNWAEGRPAKEMCY-UHFFFAOYSA-N 464.606 2.461 30 10 JEEE C=CCC[C@H](CO)NC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(Br)s1 1140627539 XCIYUNSGDSAOFT-CHWSQXEVSA-N 451.408 2.497 30 10 JEEE C#CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1286339235 UUFDDPXCULLUFJ-LJQANCHMSA-N 463.542 2.033 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCCn1ccnn1)[C@H]1CCS(=O)(=O)C1 1286382521 AXYWKQGQTSHZSR-RTWAWAEBSA-N 497.625 2.343 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1cc(C)cc(OC)c1)[C@H]1CCS(=O)(=O)C1 1286393606 LOCNTUNVKLKLFS-UXHICEINSA-N 458.584 2.164 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2csc([C@@H](C)OC)n2)CC1 1286473976 ZGMARVMFNRWKTR-WZONZLPQSA-N 474.631 2.286 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H]2CCCOC2)CC1 1286487244 SZVOYUBSNDYCQK-LJQANCHMSA-N 499.015 2.254 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](OC)c2ccccc2)CC1 1286646955 YKUBNJZIHKGGBU-VQTJNVASSA-N 461.588 2.155 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1286822581 GNOHCCUJOJEBIA-IAGOWNOFSA-N 482.946 2.225 30 10 JEEE CC(C)NS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1288268040 APQQYQUMTDSKBQ-HXUWFJFHSA-N 482.614 2.392 30 10 JEEE CCN(CC)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCC[C@@H]2C)CC1 1295335773 GUJSIMSEPQINKC-RXFWQSSRSA-N 479.629 2.358 30 10 JEEE CO[C@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1299551351 BMUNEHFDZPGAFY-QHAWAJNXSA-N 479.629 2.478 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCC(=O)N1CCCCCC1 1300281943 FPCSJDRLVOWJQO-IBGZPJMESA-N 486.642 2.446 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1CCCN(C(C)=O)C1 1300307377 FQZUKJSRUXJLIF-QUCCMNQESA-N 450.591 2.169 30 10 JEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCc1ccccc1F 1300365158 QNJGRKAJYHAVGC-FQEVSTJZSA-N 463.579 2.233 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1Cc1oc(CCC)nc1C)[C@H]1CCS(=O)(=O)C1 1300488932 XMCOORRHVZLRMX-KRWDZBQOSA-N 456.572 2.208 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1Cc1cccnc1OCC)[C@H]1CCS(=O)(=O)C1 1300489109 IWLPDVQKMPJACL-FQEVSTJZSA-N 481.578 2.422 30 10 JEEE C#CCN(c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@H]1CCCOC1)[C@@H]1CCS(=O)(=O)C1 1300489605 PZGSMVWSQFYNCH-UYAOXDASSA-N 488.610 2.406 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@@H]1CCOC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1300498178 IGMBJFKXPKZIHG-FGTMMUONSA-N 478.565 2.446 30 10 JEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1CCc1cccnc1)[C@H]1CCS(=O)(=O)C1 1300502811 XWPYTXYUBXTOBL-QFIPXVFZSA-N 479.606 2.336 30 10 JEEE C#CCN(c1nnc(COc2cc(C)ccc2C(C)C)n1Cc1ncn(C)n1)[C@@H]1CCS(=O)(=O)C1 1300505339 ZYPLPTHGSCPRCV-LJQANCHMSA-N 497.625 2.092 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CC1CC(C)(C)C1)[C@H]1CCS(=O)(=O)C1 1300505986 LHKTYTHKEDTJSV-FHWLQOOXSA-N 450.605 2.065 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC1(C(N)=O)CCCC1 1300665151 XURTZLVCGNCNNG-UHFFFAOYSA-N 491.596 2.368 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(F)c(COC)c2)CC1 1300710560 GLGVOSCHSZEIFW-UGKGYDQZSA-N 457.550 2.091 30 10 JEEE C=CCCOCCn1c(-c2cccc(C)n2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1301249723 XVWYPRDJUQYPRJ-AUSIDOKSSA-N 467.618 2.230 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C(C)(F)F)c1 1301295808 AJEVKJIFURTFDJ-KRWDZBQOSA-N 455.531 2.393 30 10 JEEE C=CCN(CC=C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCCCS1(=O)=O 1301380756 KKICEXFWNSFHDH-QGZVFWFLSA-N 478.644 2.384 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCC(OC[C@H]2CCOC2)CC1 1301505986 DQDZTZZSNABGES-SFHVURJKSA-N 457.550 2.332 30 10 JEEE C=CCOc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)Cc2ccoc2)cc1 1301525077 GFAZKQBLHVXLFJ-OAQYLSRUSA-N 487.582 2.454 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCS[C@H](C)[C@H]1C 1301587428 VJLHQYBLUOOPOJ-IAGOWNOFSA-N 460.629 2.448 30 10 JEEE C[C@H](CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(C#N)C1)N1CCCCC1 1303666791 FUINBOJKWUXNFK-QTEQDKRBSA-N 493.678 2.006 30 10 JEEE CCc1nn(C)c(OC)c1Cn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)NC(C)C 1306049246 BLBITUSZENNKFZ-UHFFFAOYSA-N 450.547 2.130 30 10 JEEE N#Cc1ccc(S(=O)(=O)NCC2(N3CCN(c4ccccc4)CC3)CCOCC2)c(F)c1 1309498673 CPBKLLRCCHSPNT-UHFFFAOYSA-N 458.559 2.347 30 10 JEEE CCO[C@]1(c2nnc(N(C)Cc3cccc(C#N)c3)n2CCN2CCN(C)C(C)(C)C2)CCOC1 1314080752 FTMQOPSSSBRIFP-AREMUKBSSA-N 481.645 2.464 30 10 JEEE COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1316104059 CXOUHOPBMNKGKX-UHFFFAOYSA-N 466.933 2.423 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@](C)(O)c1cc(C)oc1C)[C@@H]1CCS(=O)(=O)C1 1358960537 GWHZBLIEBKFXSF-JPYJTQIMSA-N 471.583 2.028 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCSc1nccs1)[C@@H]1CCS(=O)(=O)C1 1358963969 QQFHKHUCDCXMFN-IAGOWNOFSA-N 481.669 2.438 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)CN1CCCC1 1358979368 KMUNNJXKVLRSGQ-SFTDATJTSA-N 470.618 2.391 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H](C2CC2)N(C)C)CC1 1359042695 QFZYLHALZAHNDQ-QFIPXVFZSA-N 480.613 2.268 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2C[C@@H]2CCOC[C@H]2OC)CC1 1359043466 VBBUHZMIHWJWAA-RBBKRZOGSA-N 451.571 2.271 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(Cl)cc2OC)CC1 1359043814 JSWOKSCBGJYSBL-UHFFFAOYSA-N 467.961 2.355 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1359113514 KNSVRBTUIMZXIL-MSOLQXFVSA-N 463.579 2.066 30 10 JEEE C=C(C)COCCn1c(CSc2ccccc2OC)nnc1N1CCN2C(=O)NC[C@@H]2C1 1359136266 FELSGDQUPHCAOM-QGZVFWFLSA-N 458.588 2.386 30 10 JEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(Cn2cc(C)cn2)CC1 1359227533 DKJYFGDKNWIDDP-FQEVSTJZSA-N 462.620 2.194 30 10 JEEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCCN1c1cnn(C)c1 1359233903 VEGSTMVEDACRKD-GOSISDBHSA-N 455.588 2.373 30 10 JEEE C=CCN(CCOC)c1nnc(-c2ccccc2Cl)n1CC1(O)CCS(=O)(=O)CC1 1359280481 SGDQWPUVTLCTPS-UHFFFAOYSA-N 454.980 2.177 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H]2CC(=O)N(CCOC)C2)C1 1359315893 DMPXENVXYFTXKO-WMZOPIPTSA-N 460.966 2.270 30 10 JEEE CC(C)NC(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1360265400 CJMHCPQMLOOJPL-IBGZPJMESA-N 452.563 2.028 30 10 JEEE C=CCN(C(=O)[C@H]1CCCN(C(=O)N2CCc3sccc3C2)C1)[C@@H]1CCS(=O)(=O)C1 1435069137 NNVDNLPDTPKJRH-ZWKOTPCHSA-N 451.614 2.140 30 10 JEEE C#Cc1cccc(NC(=O)NC(=O)CN2CCc3cc(S(=O)(=O)N(CC)CC)ccc32)c1 1459684322 LLGWTRFGUYTBFT-UHFFFAOYSA-N 454.552 2.409 30 10 JEEE CO[C@]1(C)CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cc(CO)nn2)CC1 1504020130 CXCOUCYLMZMUSC-HSZRJFAPSA-N 450.547 2.386 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1CCCCNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1507629518 NDFNNLHVCFSEEN-GOSISDBHSA-N 490.630 2.215 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC[C@H](OC)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1507630667 FCWMWIFBJRRWBI-WBVHZDCISA-N 471.505 2.243 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2cccnc2)n1C[C@H]1CCS(=O)(=O)C1 1507701624 MTYOTVBNJQHMJW-HXUWFJFHSA-N 453.543 2.478 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CC[S@@](=O)C(C)(C)C)CC1 1507739819 KWKKJNWIOZRDFE-JGCGQSQUSA-N 476.672 2.147 30 10 JEEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1507756743 QRMKJHNDIIOZOD-QFIPXVFZSA-N 468.671 2.460 30 10 JEEE C=C(Br)Cn1c(-c2ccccc2OC)nnc1N1CCO[C@@H](CNC(C)=O)C1 1507783587 GJSWMMRTZBIOPL-HNNXBMFYSA-N 450.337 2.204 30 10 JEEE C=CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)C(=O)C1)c1ccccc1 1507924466 NUBRTDIUMKOHEP-IEBWSBKVSA-N 472.615 2.059 30 10 JEEE C=CCCOCCn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1507961106 YDBXEBAOLMJQOZ-UHFFFAOYSA-N 489.020 2.172 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H]1CCCCN1CCC)[C@H]1CCS(=O)(=O)C1 1539210227 CDWAJUONDXDHKC-UXHICEINSA-N 456.616 2.231 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC1(N(C)C)CCCC1)[C@@H]1CCS(=O)(=O)C1 1539216217 PHCPDJVUZHLODV-LJQANCHMSA-N 456.616 2.150 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1CCc1noc(CC)n1)[C@@H]1CCS(=O)(=O)C1 1539231250 UGDNQRYAUISVIK-LJQANCHMSA-N 498.609 2.289 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@](C)(O)c2ccccc2)CC1 1539468605 GDATYTRXYIBLMT-RRPNLBNLSA-N 495.624 2.192 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3noc4c3COCC4)n2CCCC(C)(C)COC)CC1 1539476680 CWABCJGBOODXBX-UHFFFAOYSA-N 484.601 2.424 30 10 JEEE C=C(C)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1539716367 ZGEYCMJCVSFGDF-SFHVURJKSA-N 452.559 2.012 30 10 JEEE C=C1CCN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(C(=O)NCC(N)=O)cc2)CC1 1539855012 KWLRTUMENUYEJB-UHFFFAOYSA-N 465.583 2.054 30 10 JEEE C=CCC(C)(C)Cn1c(-c2cnccn2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1539912440 IXSQHMPTJBFMCZ-UHFFFAOYSA-N 465.562 2.395 30 10 JEEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1540036327 MBTNPQKXQKUJFM-LJQANCHMSA-N 457.579 2.198 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCS1 1540188060 ZVRXFQAXCCILAS-RBUKOAKNSA-N 481.644 2.335 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCN(CCOC(C)C)CC1 1540867139 LZUWESBUFFHYQT-UHFFFAOYSA-N 463.586 2.343 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Br)c3)n2CCNS(=O)(=O)CC)C1 1540884615 RTAVAFVURJCTRI-QGZVFWFLSA-N 484.420 2.428 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N(C)Cc1ccc([S@](C)=O)cc1 1540900761 HAQOXSUKUFIJDE-PMERELPUSA-N 459.597 2.315 30 10 JEEE COCC(=O)N1CC2(CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)C[C@H]1C(=O)N(C)C 1548379693 GINFDGZLNDREKV-SFHVURJKSA-N 452.477 2.499 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1c[nH]c2cc(C)ccc12 1587638319 CVVGPJIQDPVGFU-LAUBAEHRSA-N 470.599 2.101 30 10 JEEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 1587697326 NTHOFRQORZYMTL-YADHBBJMSA-N 483.661 2.135 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2C[C@@H]2CCC[C@H]2OC)c1 1587697753 WYXBYOXUADGTBU-PZJWPPBQSA-N 464.570 2.272 30 10 JEEE C#CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](C(N)=O)C1 1587769428 HCMHPCZTYGIJNI-ZWKOTPCHSA-N 460.579 2.092 30 10 JEEE C#CCCCn1c(COc2ccc(OC)cc2)nnc1N1CCN(c2nccc(OC)n2)CC1 1587888514 GZUFYJPPPKYTKW-UHFFFAOYSA-N 463.542 2.404 30 10 JEEE C#CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1587927110 UUZJTFOSZSKUHB-UHFFFAOYSA-N 474.363 2.360 30 10 JEEE C#CCN(c1nnc(-c2ccc(Br)cc2)n1CCCOC)[C@@H]1CCS(=O)(=O)C1 1588039813 FNXQTWHDOCGIOD-QGZVFWFLSA-N 467.389 2.371 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1cn(CCCC)nc1C)[C@H]1CCS(=O)(=O)C1 1588055738 YUERHVJDOQYDKP-LEWJYISDSA-N 474.631 2.500 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1cc(C)on1 1588186067 QZXPYYFEBXNMJZ-UHFFFAOYSA-N 451.556 2.354 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2CC2(O)CCCCC2)CC1 1588762596 MENIRXDXETVQEU-UHFFFAOYSA-N 461.408 2.497 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OC)n2C[C@@H]2CCCOC2)CC1 1588967724 AGVMQNHZOWWVPV-IBGZPJMESA-N 467.570 2.258 30 10 JEEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C2CCOCC2)CC1 1589481547 AAACZVGXQGHESK-WMZOPIPTSA-N 470.412 2.212 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C)(COC)CC1 1589493046 FNJXLQHIIGQFJE-KURKYZTESA-N 455.625 2.122 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@]1(O)CCS(=O)(=O)C1 1595109400 YRUHOMKPQJQRJF-RPWUZVMVSA-N 490.626 2.061 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCOc2ccccc21 1595218196 HSHPDZZXHSTBGB-WIYYLYMNSA-N 473.599 2.356 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)cc1OC 1595218833 OQDAJFMJGJWZSG-FQEVSTJZSA-N 461.588 2.155 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC2(CC1)COC(=O)N2 1595477782 ZOMTVWMCBAMATO-OAHLLOKOSA-N 474.949 2.453 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 1595577563 XEWOTTPOZYQIEQ-LJQANCHMSA-N 495.584 2.382 30 10 JEEE C=CCSCCn1c(-c2noc3c2COCC3)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1595871010 CJRKOQLHYCVQAB-CYBMUJFWSA-N 486.520 2.430 30 10 JEEE CC(=O)N1CCN([C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CC(C)(C)CN(C)C)C[C@@H]2C)CC1 1596267694 KLEYTKZFGHUBTN-RDPSFJRHSA-N 492.672 2.393 30 10 JEEE C=CCNC(=O)c1ccc(NC(=O)N2CCN(S(=O)(=O)N(CCC)CCC)CC2)cc1 1622929532 MLDIHSGCYMJRSI-UHFFFAOYSA-N 451.593 2.119 30 10 JEEE COc1cc(C#N)ccc1OCC(=O)N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](c2cnn(C)c2)C1 1639686844 HXQRLIRJWBVMBR-ZWKOTPCHSA-N 455.515 2.198 30 10 JEEE C=C(Cl)C[C@@H](NC(=O)CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)C(=O)OCC 1642684133 WSULNSHSISORDZ-CYBMUJFWSA-N 458.842 2.054 30 10 JEEE C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)N1CCN([C@@H](C#N)c2ccccc2)CC1 1657631788 BLHHYRANHMMCRM-AVRDEDQJSA-N 455.584 2.146 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1cccc(NC(=O)[C@H]2CCCO2)c1 1689861649 YKJNQFRMPNRZMI-YLJYHZDGSA-N 450.543 2.024 30 10 JEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCNC(=O)c1ccc(C)c(F)c1 1689959513 BTTUUQXLPBSLIX-UHFFFAOYSA-N 483.573 2.185 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@](C)(O)c1cccs1)[C@@H]1CCS(=O)(=O)C1 1689991269 ZBRPPYXPYCLFCJ-LLGFUMIMSA-N 464.613 2.116 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@H]1C[C@H](C)O[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1689994406 XQPNUSLDLBTZBR-KOUHRCEDSA-N 457.600 2.094 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2c(F)cccc2F)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1690020999 DHKGDPZQQBYQRG-GCJKJVERSA-N 487.576 2.424 30 10 JEEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1690173229 ZAFWDGZBTCZAPE-HXUWFJFHSA-N 462.664 2.267 30 10 JEEE C=C(Br)Cn1c(-c2cccn2C)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1690225540 CGJQQWVAQAXICU-UHFFFAOYSA-N 464.412 2.183 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCc1nccs1 1690246453 UQTIOEQLDSOKHH-JZXOWHBKSA-N 451.618 2.297 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 1690669094 UCAAKPJSEYMUNT-LJQANCHMSA-N 478.532 2.490 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CC[C@@](F)(C#N)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1690732256 XTAYEVBLVQUDCN-VWKPWSFCSA-N 482.582 2.092 30 10 JEEE CCOc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)cc1OC 1696133753 GFABJGWQQFQUHQ-HRAATJIYSA-N 463.535 2.078 30 10 JEEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1705755749 XWIUVUPSSQPLLJ-BBWFWOEESA-N 480.997 2.396 30 10 JEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1ccc(C)cc1)N(C)C)C1CC1 1705854868 PYBDDOJHRPASTA-FGZHOGPDSA-N 488.658 2.377 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CCN(CCOCC)CC1 1705895454 HNLPQHSRHDZLQI-UHFFFAOYSA-N 477.407 2.168 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 1705900838 RJVNYXHRPMRITQ-GOSISDBHSA-N 471.468 2.217 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](c2ccc(OC)cc2)C1 1705928013 KXOWVMTTYJYNON-GOSISDBHSA-N 461.588 2.020 30 10 JEEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCO[C@@H](C)C2)C1 1710350236 GHEBGVGHAGNGIH-FBBABVLZSA-N 488.614 2.062 30 10 JEEE C#CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1722346482 RELIPGZVEDLHBE-CQSZACIVSA-N 482.404 2.067 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1C[C@@](C)(O)CCC)[C@H]1CCS(=O)(=O)C1 1722363281 FCXOCTURUPLCAJ-JXFKEZNVSA-N 498.447 2.224 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1722383307 SVTJQTVOMWPLEZ-FQEVSTJZSA-N 469.524 2.073 30 10 JEEE C#CCSCCn1c(-c2cccnc2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1722456376 XUMCTFMBYOZHKD-SFHVURJKSA-N 458.588 2.436 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1CCNS(=O)(=O)c1ccccc1 1722476425 UVMVVKZVEWRSSJ-HSZRJFAPSA-N 498.634 2.240 30 10 JEEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 1722523155 DDGZXWDFAVFYPD-ZWKOTPCHSA-N 458.588 2.315 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(F)(F)Br)CC1 1722581547 JBFFWOMJPUYMQC-ZDUSSCGKSA-N 484.367 2.001 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1722593699 ZAIKBQCCKDKKET-HKUYNNGSSA-N 469.652 2.465 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1722729939 BTWLTQYBBSYFDX-UWJYYQICSA-N 466.629 2.306 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1722730412 QTDOJTBISVCOCD-PZJWPPBQSA-N 487.626 2.132 30 10 JEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2nccs2)C1 1722738421 JEOIBRZJHQJHBP-GJZGRUSLSA-N 455.631 2.134 30 10 JEEE COC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCN(C(C)=O)C2)C1 1729749462 CWOOYOOZYOIVFO-TZIWHRDSSA-N 450.543 2.465 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1CC1CCN(CC(F)(F)F)CC1)[C@@H]1CCS(=O)(=O)C1 1740615964 OWDUQOWKOWNPJP-QGZVFWFLSA-N 475.581 2.477 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](c1cccs1)N1CCOCC1 1740629109 AQMIESPHXYDYLS-IBGZPJMESA-N 475.578 2.133 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(OC)c(OC)c2OC)CC1 1740705672 LBLIRILHFUVFMP-HXUWFJFHSA-N 497.596 2.212 30 10 JEEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1740713046 CSEBOSFJIBOEHM-QUCCMNQESA-N 471.627 2.486 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)cc(C)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1740734317 YMZMAUNYAVZMBV-PKTZIBPZSA-N 458.584 2.016 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(OC[C@H]2CCOC2)CC1 1740751199 ZBGSKFUJXSOGNQ-ZJOUEHCJSA-N 461.607 2.419 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1C[C@H](C)O[C@@H](C)C1 1740774418 SJVGUCOUTOCASK-LNLFQRSKSA-N 455.625 2.217 30 10 JEEE C=C(C)Cn1c(N2CCC([C@]3(C)NC(=O)NC3=O)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740785261 RQCMFKVTBPKWJC-ICKUNSISSA-N 487.605 2.439 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCN(CCN2[C@@H](C)CC[C@H]2C)CC1 1740956677 XUSKDCODWCFHFP-BGYRXZFFSA-N 469.609 2.381 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1740961318 UBZPKEGGIQBVSJ-XDHUDOTRSA-N 470.549 2.414 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1740988006 QTAMTWIVQXZEJP-INIZCTEOSA-N 451.549 2.162 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2CC2([S@](C)=O)CC2)c1 1748691486 GNMSGYQXPNHJRY-LHAPQZOASA-N 499.637 2.286 30 10 JEEE C#CCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC(C(=O)NC)CC1 1748757421 AQBYEUGZFAJBLN-UHFFFAOYSA-N 463.630 2.019 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccncc2)n1CCN1CCN(C(C)=O)CC1 1748946369 GXWPZNUVNCOZME-UHFFFAOYSA-N 475.572 2.207 30 10 JEEE C#CCN1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CC[S@@](=O)C(C)(C)C)CC1 1748987576 YFFBTSLITQTBQS-MGBGTMOVSA-N 465.627 2.433 30 10 JEEE C=C(Br)Cn1c(Cc2ccncc2)nnc1N1CCC(C(=O)NCCOC)CC1 1749105368 FBVMDDGDJJVJNR-UHFFFAOYSA-N 463.380 2.152 30 10 JEEE C=CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cccc(S(=O)(=O)NC)c2)CC1 1749323280 CYSKZOAVLXRPOL-UHFFFAOYSA-N 481.582 2.284 30 10 JEEE COCCC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1749596542 GMQFSNMQMGBEIX-GOSISDBHSA-N 461.588 2.415 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N(C)C[C@H]1CN(CC)c2ccccc2O1 1749676639 XXTIQUCDIPYJSZ-FQEVSTJZSA-N 461.570 2.290 30 10 JEEE C=CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1749746631 JNAAZORRUZYDKG-UHFFFAOYSA-N 457.025 2.384 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1([S@](C)=O)CCC1 1751092965 GUYQCABHJLCWMM-ZZQXMTQJSA-N 453.572 2.232 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2CC[S@](=O)CC)c1 1760127867 PBBBPWWCZHNQDH-JGCGQSQUSA-N 450.568 2.089 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2C[C@H]2CCOC[C@H]2OC)c1 1760127900 QCQGLHYZJPDHSL-HMXCVIKNSA-N 453.543 2.237 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCN(C)C1CCCC1)[C@H]1CCS(=O)(=O)C1 1760185519 YRBJEASKKIBOIN-QFIPXVFZSA-N 466.611 2.318 30 10 JEEE C#CCN(CC#CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@]1(O)CCO[C@H]1C 1760218848 OJBXVWDNRCGIRE-UQBPGWFLSA-N 471.602 2.395 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)c1ccc2c(c1)OCO2 1760219030 SKVOSYYZXQXCMM-GOSISDBHSA-N 468.579 2.350 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1c[nH]c2cc(C)ccc12 1760235378 LIALUJOROGPJFG-NRFANRHFSA-N 470.599 2.103 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(SC)CCOCC1 1760244889 KLKJKEHQYQEJHB-UHFFFAOYSA-N 478.640 2.347 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCCCN1CC 1760244999 OEQBKLZOBRSKDM-HXUWFJFHSA-N 459.616 2.309 30 10 JEEE C#CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)[C@H](C)CS(=O)(=O)CC 1760279368 ARENSCSOTMFRAX-OAHLLOKOSA-N 474.612 2.220 30 10 JEEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1760311633 VSVPFSVGZLAAAD-UHFFFAOYSA-N 494.463 2.287 30 10 JEEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)Nc2c(C)cccc2C)CC1 1760345042 CHNWGJKRHLZFFM-IBGZPJMESA-N 451.575 2.183 30 10 JEEE C=C(C)Cn1c(Cc2ccccc2F)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1760346920 PDBJZGHWCWQZQR-UHFFFAOYSA-N 473.578 2.137 30 10 JEEE C=C(C)COCCn1c([C@H]2CCCCO2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1760356398 MOYWEIAJIQCJQF-YADHBBJMSA-N 468.602 2.461 30 10 JEEE C=CCC(C)(C)Cn1c(-c2noc3c2COCC3)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1760411073 BHBMBPOBXHKHAS-OAHLLOKOSA-N 464.592 2.126 30 10 JEEE C=CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)CCN1CCOC(C)(C)C1 1760506458 TZLNXZVFNIHNQE-UHFFFAOYSA-N 461.636 2.280 30 10 JEEE C=CCn1c(Cc2ccsc2)nnc1N1C[C@@H]2[C@H](C1)[C@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1760511599 AIFFPOHHUMJBFP-BRWVUGGUSA-N 479.628 2.243 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1760517197 GDJGMQWQCBLSBC-UHFFFAOYSA-N 484.601 2.348 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)ccc2Br)nnc1N1C[C@@H](COC)O[C@H](C)C1 1760517292 INMIQTUJCRNEBF-ZBFHGGJFSA-N 494.390 2.259 30 10 JEEE CC(C)(C)C(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1760717563 CNDDXLFGYHLSRJ-SFTDATJTSA-N 482.585 2.275 30 10 JEEE N#CC1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCNC(=O)c2cc[nH]n2)CC1 1770740488 HITYWMJGPKKDAL-UHFFFAOYSA-N 456.457 2.440 30 10 JEEE COCCN([C@H](C#N)c1cccc(Br)c1)S(=O)(=O)c1nnc(NC(C)=O)s1 1857958184 GNCDFOIVNJXRAZ-CYBMUJFWSA-N 474.362 2.161 30 10 JEEE N#Cc1ccccc1S(=O)(=O)N[C@H]1CCN(S(=O)(=O)c2ccc(Br)cc2)C1 1858314244 JODFINUBWRBSCM-HNNXBMFYSA-N 470.370 2.062 30 10 JEEE COc1ccc(N2CCCC2=O)cc1S(=O)(=O)N1CCN(Cc2ccccc2C#N)CC1 1858633939 UTTSULUMKFFVFL-UHFFFAOYSA-N 454.552 2.200 30 10 JEEE COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2C[C@@H](C)O)cc1OC 1862610215 FVWCGEMCSCKYGM-LRTDBIEQSA-N 455.463 2.434 30 10 JEEE C=CCn1c(C(=O)N2CCN(C(=O)OCC)CC2)cc2c(N3C[C@H](C)O[C@H](C)C3)ncnc21 1873561355 MGKZNLBZHTZIPS-CALCHBBNSA-N 456.547 2.145 30 10 JEEE C=CCn1c(C(=O)Nc2ccc([S@](=N)(=O)O)cc2)cc2c(NCCN3CCOCC3)ncnc21 1873616362 LNYXQXNPPFEABP-UHFFFAOYSA-N 485.570 2.492 30 10 JEEE C=CCn1c(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)cc2c(NCCNC(C)=O)ncnc21 1873634144 RHUSYWLYBMVXMQ-UHFFFAOYSA-N 476.585 2.169 30 10 JEEE N#Cc1cc2c(nc1-n1cnc(I)c1I)COCC2 2129706594 UXLVFQXZHIRSNT-UHFFFAOYSA-N 478.031 2.421 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@](CO)(C(=O)NCc2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2180981160 QMBPCLPOZZTIRA-DEOSSOPVSA-N 460.380 2.222 30 10 JEEE C[C@@H](CN(C)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2255934200 YTZVAZPYCHTXCB-ZDUSSCGKSA-N 475.442 2.117 30 10 JEEE CN(C(=O)OC(C)(C)C)C1CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2255948658 ODOZHNDJBPGHQR-UHFFFAOYSA-N 452.382 2.226 30 10 JEEE CO[C@H]1C[C@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)s2)N(C(=O)OC(C)(C)C)C1 2256629176 QVGAJWXBBWMGHG-QWHCGFSZSA-N 453.370 2.405 30 10 JEEE CC1(C)OB(c2csnc2C(=O)NCC[C@@H]2CN(Cc3ccccc3)CCO2)OC1(C)C 2267001129 HGLYGYPJTWSVDZ-GOSISDBHSA-N 457.405 2.463 30 10 JEEE CC(C)(C)OC(=O)NCCn1cc(NC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)cn1 2267148931 GLNXKAVHYBZUNQ-UHFFFAOYSA-N 463.369 2.416 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N(OCc1ccccc1)C1CNC1 2267354772 RKENNGDBUIZWGL-UHFFFAOYSA-N 458.389 2.389 30 10 JEEE Cc1ccc(S(=O)(=O)N(OCc2ccccc2)C2CNC2)c(B2OC(C)(C)C(C)(C)O2)c1 2267364304 XIAQNHPZPCZMPF-UHFFFAOYSA-N 458.389 2.389 30 10 JEEE CC(C)(C)OC(=O)N[C@](C)(CO)CNC(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1F 2267423974 SZGKCZWBIRYMJD-QFIPXVFZSA-N 452.332 2.130 30 10 JEEE CC[C@@H](CN(CC)C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2267522576 XUVPJMXCMYIEGE-HNNXBMFYSA-N 450.389 2.485 30 10 JEEE CC(C)(C)OC(=O)NCC[S@@](C)(=O)=NS(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2267717653 HNLFFPRQFBHZPQ-WJOKGBTCSA-N 488.437 2.297 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ccc(F)cc2B2OC(C)(C)C(C)(C)O2)[C@H](O)C1 2281786738 HQXTZESUBFMMKA-ZWKOTPCHSA-N 464.343 2.225 30 10 JEEE C=CCC1(NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)nn(C)c2C)CN(C(=O)OC(C)(C)C)C1 2281983308 STBOEMUIBWZUGS-UHFFFAOYSA-N 460.384 2.323 30 10 JEEE Cc1nn(C)c(C(=O)N2CCN(C(=O)OC(C)(C)C)CC[C@@H]2C)c1B1OC(C)(C)C(C)(C)O1 2281987742 CKRVQPPNDDYUKD-HNNXBMFYSA-N 462.400 2.499 30 10 JEEE Cc1nn(C)c(C(=O)NC[C@@H]2[C@@H]3C[C@@H]3CN2C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2281987844 DUESFPKKCBGDNZ-BZUAXINKSA-N 460.384 2.013 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@H]2C[C@H]1C[C@H]2NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2282018475 XKTXWCGZOSKVGE-WTTBNOFXSA-N 458.368 2.197 30 10 JEEE CC(C)(C)OC(=O)NC[C@@]12CN(C(=O)c3nscc3B3OC(C)(C)C(C)(C)O3)C[C@@H]1CCO2 2282525843 NFHHWNAZCOWXQO-RCDICMHDSA-N 479.408 2.198 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn1C1CC1 2282547893 SURXXMJPJLHYHZ-DLBZAZTESA-N 461.368 2.144 30 10 JEEE Cc1c(C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282592840 IQLHGZFDTSFPIY-HOCLYGCPSA-N 462.400 2.403 30 10 JEEE Cc1c(C(=O)NCCC2(CNC(=O)OC(C)(C)C)CC2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282597982 JPEXIEXHGHMPDJ-UHFFFAOYSA-N 462.400 2.453 30 10 JEEE CC(C)(C)OC(=O)N1CCC(CO)(CNC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)CC1 2282609009 CIAWGYNUTYTMQV-UHFFFAOYSA-N 481.424 2.182 30 10 JEEE CN(C[C@H]1CCN(C(=O)OC(C)(C)C)C1)S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282857862 NVQPJMDBDRSOQD-MRXNPFEDSA-N 481.424 2.258 30 10 JEEE COC(=O)[C@H](CC(=O)N(C)Cc1csc(B2OC(C)(C)C(C)(C)O2)c1)NC(=O)OC(C)(C)C 2283934085 VWWVLEAVFSCORE-HNNXBMFYSA-N 482.408 2.462 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1CCc2ccc(B3OC(C)(C)C(C)(C)O3)cc21 2283944714 QRTZLGWHVIYZDW-IEBWSBKVSA-N 458.364 2.245 30 10 JEEE CC(C)(C)OC(=O)N1CC(C)(C)OC[C@H]1C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2283975841 VLJQOIAZTQXJIS-HNNXBMFYSA-N 481.424 2.473 30 10 JEEE CC(C)(C)OC(=O)NCC1(C(=O)N2Cc3cccc(B4OC(C)(C)C(C)(C)O4)c3C2)COC1 2284039929 ZZQHHDJJRMDUCW-UHFFFAOYSA-N 458.364 2.369 30 10 JEEE CC(C)(C)OC(=O)NCCCC[C@@H](NC(=O)c1ccoc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2289799713 BKHMIJFRBZZXCU-OAHLLOKOSA-N 466.340 2.457 30 10 JEEE CN(C)CCN1C(=O)C(=O)C(=C(O)c2ccc3c(c2)OCCO3)[C@H]1c1ccc([N+](=O)[O-])cc1 2296560888 XTZIBCOYEGJUAT-HXUWFJFHSA-N 453.451 2.349 30 10 JEEE COc1cc(C=C2Oc3cc(OCC(=O)NCCC(=O)O)ccc3C2=O)cc(OC)c1OC 2297472028 FENRTVJCLUWEQY-UHFFFAOYSA-N 457.435 2.298 30 10 JEEE CNC(=O)[C@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@H]1C1CCN(C(=O)NCCOC)CC1 2297650074 HNZUYVQZENAFTO-OALUTQOASA-N 481.519 2.443 30 10 JEEE N#Cc1ccc(N2CCC([C@@H]3CN(C(=O)c4cc[nH]n4)C[C@@H]3C(N)=O)CC2)cc1C(F)(F)F 2297650302 LBXQQIWZGIVDHO-IRXDYDNUSA-N 460.460 2.390 30 10 JEEE COC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)(C)C)C2)n1N=Cc1ccc(C(=O)O)cc1 2327876078 CZJHFWVNELXIKO-OAHLLOKOSA-N 459.528 2.238 30 10 JEEE CC(=O)NCc1nnc(SCc2nc(O)c3ccccc3n2)n1N=Cc1ccc(O)cc1O 2330778202 XYKGXBHOQDIZLO-UHFFFAOYSA-N 465.495 2.149 30 10 JEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](CNC(=O)[C@@H]2C[C@@H]2B2OC(C)(C)C(C)(C)O2)[C@H]1OC 2334271906 KBBOAHXUADLZTA-DRRXZNNHSA-N 454.373 2.234 30 10 JEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3)C2)CC1 18039219 TYBMDJUFWLRVTQ-HXUWFJFHSA-N 481.578 2.335 30 10 JEEE CCOC(=O)C1CCN(c2nc3c(c(=O)[nH]2)[C@@H](c2ccc(OCC)cc2)[C@@H](C#N)C(=O)N3)CC1 72444726 MFPMFWIBQGPNFV-MSOLQXFVSA-N 465.510 2.172 30 10 JEEE COc1cccc([C@@H]2c3c(nc(NCc4ccc5c(c4)OCCO5)[nH]c3=O)NC(=O)[C@H]2C#N)c1 72472460 SIQLBQNADBUDSN-LPHOPBHVSA-N 459.462 2.386 30 10 JEEE COc1cc([N+](=O)[O-])c(/C=N\Nc2nc3c(c(=O)[nH]2)CN(Cc2ccccc2)CC3)cc1O 169897550 SJJYZDFWSGKLCJ-KSEXSDGBSA-N 450.455 2.397 30 10 JEEE N#Cc1cccnc1N1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2)CC1 247664522 VORYGTMVPAFMBU-MRXNPFEDSA-N 454.328 2.417 30 10 JEEE CO[C@@H]1[C@H](C)O[C@H](OC[C@@]23C[C@H]4[C@H](CC[C@H]4C)[C@@]4(C=O)C[C@H]2C=C(C(C)C)[C@]43C(=O)O)[C@H](O)[C@@H]1O 255992030 OGGVRVMISBQNMQ-AAMDPUONSA-N 492.609 2.409 30 10 JEEE CCOC(=O)[C@@H]1CCCN(c2nc(O)c3c(n2)NC(=O)[C@@H](C#N)[C@H]3c2ccc(O)c(OCC)c2)C1 256034273 ZGZBWFKUTLZENU-RVKKMQEKSA-N 481.509 2.290 30 10 JEEE CCOc1ccccc1[C@H](CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)NC(C)=O 476611509 NKKPMQBPZUTHOK-NRFANRHFSA-N 484.578 2.057 30 10 JEEE CN(Cc1ccccc1)C(=O)N1CCC(C(=O)NS(=O)(=O)Cc2cccc(C#N)c2)CC1 727634814 XWMVFZAPERAZFS-UHFFFAOYSA-N 454.552 2.468 30 10 JEEE C#CCN(C(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1)[C@@H]1CCS(=O)(=O)C1 918754985 ORHLSRKHNUNKPN-MRXNPFEDSA-N 468.503 2.028 30 10 JEEE C=CCOC[C@@H](NC(=O)c1ccc2c(=O)n(-c3ccccc3F)c(S)nc2c1)C(=O)OC 1139175565 IEVDGYISMGDFKI-QGZVFWFLSA-N 457.483 2.288 30 10 JEEE C#CCn1ccc(CN(CCOC)C(=O)[C@H]2CCCN2C(=O)c2cc(Cl)ccc2OC)n1 1271204722 RTSWMBSTRDIEPI-HXUWFJFHSA-N 458.946 2.458 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1CCNC(=O)c1cc[nH]n1 1286278411 CSJAHHZIFCEKRI-CYBMUJFWSA-N 472.347 2.327 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2CCN2CCOC(C)(C)C2)c1 1286309832 OJFKPBJQPMKTLD-UHFFFAOYSA-N 461.570 2.440 30 10 JEEE C#CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCS(=O)(=O)CC1 1286348718 YUIIHOJKNPOPBU-KRWDZBQOSA-N 451.593 2.041 30 10 JEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CCNC(=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1286385631 YATLJAVYHSQARQ-GOSISDBHSA-N 478.018 2.388 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1ccc(C[S@](C)=O)cc1)[C@H]1CCS(=O)(=O)C1 1286388956 DCEQWNZPKBWGJF-VTLMBFNKSA-N 497.646 2.202 30 10 JEEE C#CCN(c1nnc(CCCc2ccccc2)n1C[C@H]1CCN(CC)C1)[C@H]1CCS(=O)(=O)C1 1286393541 QOPBWKLADIZXSX-GOTSBHOMSA-N 469.655 2.422 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@H]1CCN(CC(F)(F)F)C1)[C@H]1CCS(=O)(=O)C1 1286394186 NTWRMGBIOTWQJY-IRXDYDNUSA-N 475.581 2.378 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](C)N(C)C1CC1)[C@H]1CCS(=O)(=O)C1 1286398994 WCHAGNHOQBXMJH-MJUUVYJYSA-N 477.675 2.306 30 10 JEEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCC(=O)N1CCCCC1 1286431822 SDZSGRGNWIZVSI-UHFFFAOYSA-N 474.613 2.318 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(Cl)c(OC)c1 1286468088 YUGONNAOYRJYDD-KRWDZBQOSA-N 466.991 2.171 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2CC2CCN(C(=O)OC)CC2)CC1 1286493997 KJSBHVYRCGYVSL-UHFFFAOYSA-N 484.626 2.375 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCNC(=O)C(C)C)C1 1286808630 CRRIJWYEVFITQX-RBUKOAKNSA-N 492.621 2.140 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCn2cncn2)C1 1286814379 RDWWSJHVEPAURN-MSOLQXFVSA-N 458.567 2.423 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1286815185 NZDSIIVSMRZLDS-CVEARBPZSA-N 452.920 2.313 30 10 JEEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CC[S@](=O)C(C)(C)C 1288724945 GJSGQZJSMXUNAA-WNNBVUDTSA-N 451.618 2.233 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCCCOc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1300491284 GHBVBUKRTYNMBI-FQEVSTJZSA-N 486.573 2.304 30 10 JEEE C#CCN(c1nnc(C2CCCC2)n1CCCNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1300496075 NMYRUENFTJZWOR-GOSISDBHSA-N 465.620 2.477 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccc(OCC(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 1300496637 SPBBLXVHMVTCPG-LEWJYISDSA-N 472.611 2.492 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1CC1([S@@](C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1300503835 GHGYKKPZIZNNQE-AYLZSAKASA-N 490.651 2.012 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC1CC1 1300649378 LPVHFQKRIGGJFS-FQEVSTJZSA-N 461.563 2.190 30 10 JEEE C#CCN(CCOC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCNC(=O)C1CC1 1300664362 BWFLDDYPELOQEF-UHFFFAOYSA-N 474.606 2.005 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCC[C@@H]1C 1300671771 ORWXLGMDELJVSJ-VQTJNVASSA-N 476.622 2.157 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CC[S@](=O)CC)CC1 1300730577 BAPFSEWQSWXTPT-MGBGTMOVSA-N 471.627 2.208 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ccc(Cl)cn1 1300914383 CTYFEPXMQOTAFB-QGZVFWFLSA-N 485.010 2.141 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1300935265 OOKMTNCPNBTNJZ-QHCPKHFHSA-N 485.614 2.257 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1 1300952517 XGMWBDPPYHZOPZ-IRXDYDNUSA-N 479.607 2.078 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)c2nc(C)cs2)CC1 1301087261 ZKGWQZLVOLHRGU-RDJZCZTQSA-N 466.633 2.336 30 10 JEEE C=CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1301207154 RHOTTXMENBBRHS-QGZVFWFLSA-N 456.547 2.493 30 10 JEEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 1301259780 RDPXOCDVRYZPML-QZTJIDSGSA-N 462.595 2.343 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c(-c2noc3c2COCC3)nnc1N1CCN(C)C(=O)[C@@H]1C)C(C)C 1301366417 BLEZXINFTDVJDL-AZUAARDMSA-N 483.617 2.371 30 10 JEEE C=CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC(NC(=O)COC)CC1 1301452018 HSSQBOSFUIYXOH-QGZVFWFLSA-N 462.595 2.310 30 10 JEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1301458572 XFPLEUAXGHMRIM-KRWDZBQOSA-N 462.595 2.467 30 10 JEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CN(C)Cc2ccccc2)CC1 1301458993 NBCOQCYNLQSZAG-JOCHJYFZSA-N 488.658 2.145 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CC[C@H](c2ccccc2OC)C1 1301567907 MSVJBECQQZQIFA-KRWDZBQOSA-N 461.588 2.020 30 10 JEEE C=CCSCCn1c([C@H](C)CC)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1301595296 RXAYEDSZIYCKPJ-QZTJIDSGSA-N 457.666 2.342 30 10 JEEE Cc1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CC1CCN(CCN(C)C)CC1 1304845295 AVDLDIWWHKMJMN-UHFFFAOYSA-N 450.635 2.449 30 10 JEEE CCN(CC)C(=O)CCCn1c(-c2cccnc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1313644372 IEVUSWIKOCZPII-UHFFFAOYSA-N 490.616 2.229 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCC[C@@H]2C)c1 1358901407 JPBPITDKUDXMHZ-JENIJYKNSA-N 472.615 2.381 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1Cc1ccccc1OCC)[C@H]1CCS(=O)(=O)C1 1358961322 WKXJPQUZFYGDJR-IBGZPJMESA-N 453.568 2.357 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CCC(=O)N2CCCCC2)CC1 1359044043 SKKBVICWIBESHV-UHFFFAOYSA-N 463.586 2.017 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCOC2(CCCCCC2)C1 1359056648 IYPQKSXYYLYKGQ-SFHVURJKSA-N 452.646 2.476 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1359113515 KNSVRBTUIMZXIL-QZTJIDSGSA-N 463.579 2.066 30 10 JEEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1359183529 NJWUMRJIIPEWDN-INIZCTEOSA-N 492.606 2.120 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1359330785 CVQRXYVTNDQQDJ-GOSISDBHSA-N 493.634 2.115 30 10 JEEE CN(C(=O)C/N=C1/NS(=O)(=O)c2ccccc21)[C@@H](c1ccc(Cl)cc1)c1cnccn1 1457456026 DAIDHRNJFBJYLN-FQEVSTJZSA-N 455.927 2.417 30 10 JEEE COC(=O)[C@H](NCC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)c1ccc(F)c(C)c1 1473356768 IFEPKWVEEIUHFJ-FYYLOGMGSA-N 456.493 2.486 30 10 JEEE CCNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)CN2CCCC2)CC1 1502443964 DCBQGEARYLRAIZ-IBGZPJMESA-N 450.591 2.400 30 10 JEEE COCCN(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(F)(F)F)CC1 1504850435 FLHXITSNADXKCS-UHFFFAOYSA-N 465.524 2.469 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H](C)CN1CCOCC1 1507531883 DUFDKQHQRYIJIG-RBUKOAKNSA-N 463.586 2.101 30 10 JEEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CC[C@H](F)C1)[C@@H]1CCS(=O)(=O)C1 1507626481 OCQJXEDAXVLXOJ-NZSAHSFTSA-N 494.614 2.114 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1Cc1ccc(C)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1507628444 HQEVTNBNPQQABN-LJQANCHMSA-N 453.568 2.276 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1CC[C@](C)(O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1507629286 LWKAMDSCLSAZHB-YKSBVNFPSA-N 467.595 2.208 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1CCN(C(=O)OC)CC1 1507636417 FXXLMZBYNFZDIB-UHFFFAOYSA-N 482.972 2.413 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CC2(c3ccccc3OC)CCC2)CC1 1507715489 BTCWNISNAWROQX-UHFFFAOYSA-N 450.587 2.302 30 10 JEEE C=C(Br)Cn1c(N2CCC(CC(=O)NC)CC2)nnc1[C@@]1(OCC)CCOC1 1507792032 DBISNHCXYNUFJF-LJQANCHMSA-N 456.385 2.191 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H](C(=O)OC)C1 1507803688 CLYYKCUYMOHFFA-FCEWJHQRSA-N 459.572 2.250 30 10 JEEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(OC2CCCC2)CC1 1507844028 ATCAPFNHEJORNU-OAQYLSRUSA-N 497.662 2.132 30 10 JEEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1ccc(O)cc1 1507844349 INOVDACKLIYELL-LEWJYISDSA-N 491.614 2.251 30 10 JEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1SCCc2ccccc21 1507983481 QNYTVPXGUAWZGB-MOPGFXCFSA-N 463.629 2.264 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCCOC2)n1CCNC(=O)c1cc[nH]n1 1507999746 QLASQNJILFFSFA-HXUWFJFHSA-N 460.542 2.389 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCO[C@]2(CCOC2)C1 1508071949 CBPYCSLBXASJIK-MHECFPHRSA-N 471.558 2.115 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCN(C(C)=O)C[C@@H]1C 1508072144 HRVPCMLBUUYNEN-ZDUSSCGKSA-N 479.354 2.206 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N(C)CCCS(C)(=O)=O 1508074279 RQPNWEAXLXSBOW-UHFFFAOYSA-N 488.383 2.020 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC2([S@](C)=O)CCC2)C1 1508112590 BFMMEJNKHHYYAJ-HQDYDAOOSA-N 452.621 2.401 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(CCc2ccccc2)CC1 1508137664 PKSAWOSADHEDKV-UHFFFAOYSA-N 454.600 2.239 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CC(F)(F)F 1508145602 NHSLFKVNJJYSHM-AWEZNQCLSA-N 497.540 2.186 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@@H]1CCC[C@H](O)C1)[C@H]1CCS(=O)(=O)C1 1539230730 PRKCIVRODSYOIQ-QYZOEREBSA-N 476.574 2.174 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@@H](c2c(F)cccc2F)N(C)C)CC1 1539476883 HCLNANHOPAIWPU-NRFANRHFSA-N 494.550 2.282 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1539631658 MQBDYMHRPKMPBB-MKXGPGLRSA-N 452.621 2.413 30 10 JEEE C=C(C)Cn1c(Cc2cn3ccccc3n2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1539710744 YSOTXMGFBKGFJH-OALUTQOASA-N 451.575 2.460 30 10 JEEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(OCCN2CCCC2)CC1 1539803074 DJIPQJQYSGMBQR-KRWDZBQOSA-N 458.028 2.014 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](c2ccnn2C)C1 1539916218 IJXVVWWKDAQBIN-AZUAARDMSA-N 491.662 2.331 30 10 JEEE C=CCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1539983207 WFNLAMHXVPMFIG-KRWDZBQOSA-N 470.549 2.451 30 10 JEEE C=CCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1540857118 ZAHJVVJHFCMCAH-MRXNPFEDSA-N 456.572 2.435 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC(C(=O)c3ccc(O)cc3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1540875888 AQVVEDKSDIXFTH-SANMLTNESA-N 497.596 2.426 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCCNS(C)(=O)=O)C1 1540887073 PJMXUUIAOJWFMA-OAHLLOKOSA-N 457.959 2.458 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1540903862 IXMZRPGRHHHNFO-OALUTQOASA-N 453.653 2.015 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(OC)cc2)nnc1N1CC(C)(C)OC[C@@H]1C 1540909091 XJSSPPYIRZDSQH-KRWDZBQOSA-N 464.588 2.470 30 10 JEEE CN(C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCSC2)CC1)S(C)(=O)=O 1554124947 HOHRSGBALFQKOU-SFHVURJKSA-N 490.655 2.342 30 10 JEEE C=C(C)C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1)C(=O)OCC 1583527314 XFOKWBMBDFFFNK-FQEVSTJZSA-N 450.557 2.304 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@H]1CCCS(=O)(=O)C1 1587620797 KNIYKYGUUXCEQO-QZTJIDSGSA-N 482.610 2.348 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](C)COC)[C@@H]1CCS(=O)(=O)C1 1588073607 AQXAKFDTDKIROP-NCXUSEDFSA-N 452.621 2.106 30 10 JEEE C#CCN(c1nnc(COCC)n1Cc1cc(Cl)c(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1588073833 FOAHQNBWFRMZCW-INIZCTEOSA-N 482.990 2.160 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1cccn(CC)c1=O 1588193382 BWBKJGURCLWTCA-UHFFFAOYSA-N 463.563 2.041 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCN(CC)C1 1588550328 NSIDQHGSUNNVIU-PMACEKPBSA-N 459.591 2.301 30 10 JEEE C#CCSCCn1c(-c2cccc3cccnc23)nnc1N1CCN(CCOC)C(=O)C1 1589036920 QPCILVQFDHBATF-UHFFFAOYSA-N 450.568 2.155 30 10 JEEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1589134099 DWPZWHJCMKTFKM-UFYCRDLUSA-N 459.620 2.418 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccn2C)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1589513922 CPXPVDLTFNCFIE-FXAWDEMLSA-N 462.620 2.125 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1nccs1 1589663359 LWWDPFRXIYYNPY-MRXNPFEDSA-N 454.622 2.103 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 1593747252 SPKDDCJIBAVMIP-QZTJIDSGSA-N 483.635 2.266 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCN1S(C)(=O)=O 1595085096 PWUBAYHNDGOLLI-OAQYLSRUSA-N 497.625 2.002 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1595577194 LDSINMUOTJGKAJ-ZHRRBRCNSA-N 461.950 2.197 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1595595776 ZGAZICWILRVCAO-OAHLLOKOSA-N 470.471 2.371 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@@H](c1ccco1)N(C)C 1611662910 ANIMFONUIDRDKP-APWZRJJASA-N 471.587 2.292 30 10 JEEE CNC(=O)[C@@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2CCN(C(=O)OC)CC2)C1 1618595330 FDQKQDHCYLICFY-VWLOTQADSA-N 495.584 2.170 30 10 JEEE COC(=O)[C@@]12CCCC[C@@H]1CN(C(=O)[C@H](CC(C)C)/N=C1/NS(=O)(=O)c3ccccc31)C2 1628041422 DNOJPVVNLKSOGY-WLENULPWSA-N 461.584 2.332 30 10 JEEE C#C[C@@H](NS(=O)(=O)c1cnn(C)c1I)c1ccc(Cl)cc1F 1661920618 UTFGYECNWLNSRG-LLVKDONJSA-N 453.664 2.470 30 10 JEEE C#CCOc1ccccc1CNS(=O)(=O)[C@@H]1CN(C(=O)OCc2ccccc2)C[C@H]1OC 1667313465 OJIUVSBXFSTWFQ-FGZHOGPDSA-N 458.536 2.154 30 10 JEEE CCN1CCN(c2ccc(S(=O)(=O)N(CC)CC)cc2NC(=O)N[C@@H](C)CC#N)CC1 1672601050 FYMLOVIKNJCECF-KRWDZBQOSA-N 450.609 2.283 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCCC2 1689930546 ULAVTBJPMIKSLH-SLFFLAALSA-N 479.647 2.198 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(COc3ccccc3)o2)n1CCN1CCN(C(C)=O)CC1 1690007802 JNGUHLHDZCBEFI-UHFFFAOYSA-N 486.576 2.354 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCCCN2CCC[C@@H]2CO)CC1 1690110655 VHXLAQJRIWDVNP-XMMPIXPASA-N 493.656 2.139 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2CCN(C)CC(F)(F)F)CC1 1690152322 HEQCBNVHFGPKNL-UHFFFAOYSA-N 496.509 2.456 30 10 JEEE C=C(Br)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1690221479 XIELQRRAIJZFAV-IYBDPMFKSA-N 467.320 2.441 30 10 JEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(S(=O)(=O)c2ccccc2)CC1 1690309501 BMSQTNWABPQPAB-HXUWFJFHSA-N 473.599 2.265 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(F)cc2Br)nnc1N(CC)CCS(C)(=O)=O 1690665697 MRVKWCVTFLYLQB-UHFFFAOYSA-N 488.383 2.020 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@H](COC)C2)cc1 1690678893 DKIXFQRDIXEVMN-FQEVSTJZSA-N 464.526 2.390 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1690683855 XVJNLQBSRHXWMB-RTWAWAEBSA-N 455.559 2.127 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 1690723255 MBTGDRSELKTIBW-INIZCTEOSA-N 450.565 2.231 30 10 JEEE COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C(C)C)N2CCOCC2)CC1 1697076330 CAOYWUOWRJNFMU-OAQYLSRUSA-N 467.574 2.062 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(=O)c2cccs2)CC1 1705534622 MWJWEAXCBFQBIP-SFHVURJKSA-N 491.639 2.185 30 10 JEEE C#CCCCn1c(Cc2ccccc2F)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1705535828 ZLPQEIFJWXPSMA-UHFFFAOYSA-N 480.588 2.362 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@@H]1CCN(CC(F)(F)F)C1)[C@@H]1CCS(=O)(=O)C1 1705562720 IGFBSDMVQQTABK-IAGOWNOFSA-N 485.532 2.357 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@@H]1OCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1705569132 ZVHLXKROTHSXAJ-ICSRJNTNSA-N 476.574 2.438 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@@H](C)N2CCOCC2)CC1 1705636514 NCYYAAVVJLJZQQ-GOSISDBHSA-N 458.994 2.083 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCc2cccc(OCC)c2)CC1 1705643414 FMARZNPJOMIGNA-GMAHTHKFSA-N 453.587 2.399 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1705701082 CFAULDAHOKWKHV-GHTZIAJQSA-N 492.646 2.488 30 10 JEEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN2C(=O)OC[C@H]2C1 1705730262 FYMYLXPINABCKS-CQSZACIVSA-N 451.325 2.269 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N(C)C[C@H]1CCCCO1 1705900941 VAOPWHDZPVAPJI-GOSISDBHSA-N 479.585 2.373 30 10 JEEE Cc1nccn1CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1707789789 DGANWHUYQUQNSN-FQEVSTJZSA-N 482.614 2.130 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1Cc2cccc(Br)c2C1 1722332818 PAFXQLNRKYWHKL-SFHVURJKSA-N 494.415 2.307 30 10 JEEE C#CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1722333190 HZGOQVRRYVUTEM-RTBURBONSA-N 471.606 2.362 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H](c1cccnc1)C(C)C)[C@H]1CCS(=O)(=O)C1 1722362020 QXGVGLUYUXBWDO-VQTJNVASSA-N 465.583 2.197 30 10 JEEE C#CCN(c1nnc([C@@H](C)OCCOC)n1Cc1c(F)cccc1Cl)[C@@H]1CCS(=O)(=O)C1 1722363852 HKJQRWUZAGWCJU-HZPDHXFCSA-N 484.981 2.470 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@](O)(c2ccccc2)C(F)(F)F)CC1 1722432504 XZZRZANDUUQTOF-PGRDOPGGSA-N 481.519 2.207 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CCCCN2CCC[C@@H]2CO)CC1 1722443075 MVABEBIVSYRENB-OAQYLSRUSA-N 468.602 2.049 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)C1CCCCC1 1722518265 YABGBCABFABNCX-UGKGYDQZSA-N 469.652 2.345 30 10 JEEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 1722526334 VGWKCVAQKCWANY-AVRDEDQJSA-N 472.565 2.478 30 10 JEEE C=C(C)COCCn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 1722538731 UOZCQHDKSRUUOV-OAQYLSRUSA-N 454.575 2.483 30 10 JEEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](CNC(=O)c2ccccc2)C1 1722542698 GDSCORWJSOIZNX-SJORKVTESA-N 481.022 2.287 30 10 JEEE C=CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1722681946 CTALTJMOQDMMIE-SFHVURJKSA-N 460.604 2.441 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1722694389 UKZDZXZMNRKJLV-INIZCTEOSA-N 496.431 2.332 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1722695334 ZZNGORKJFBULCZ-JKSUJKDBSA-N 456.572 2.053 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(C)C)CC1 1722707063 FKRPOFBMFYQZMV-HXUWFJFHSA-N 459.616 2.324 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1 1722726522 CTBFJZHNUMUYRC-UHFFFAOYSA-N 493.634 2.163 30 10 JEEE CCN(c1nnc(-c2ccc(C#N)cc2)n1CCCc1c[nH]nc1C)[C@@H]1CCS(=O)(=O)C1 1728292890 CBICOGYIVWOOBB-HXUWFJFHSA-N 453.572 2.495 30 10 JEEE CCO[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCNC(=O)c2ccc(C)cc2)CCOC1 1728794269 GVNYBVXHQAPQIZ-XZOQPEGZSA-N 456.522 2.111 30 10 JEEE CS(=O)(=O)CCCn1c(Cc2cccnc2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1731004129 CRDQBJMQHKBBEO-UHFFFAOYSA-N 493.637 2.283 30 10 JEEE CSC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)Cc2ccc(C#N)cc2)CCOCC1 1731055299 BNZQZNQVUIOABQ-INIZCTEOSA-N 478.644 2.309 30 10 JEEE C#CCN(c1nnc([C@@H](C)OCCOC)n1Cc1ccc(F)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 1740617789 XIHWLKPLWIUURR-WBVHZDCISA-N 484.981 2.470 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1ccc(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1740624917 BSJBRQVJJMSBLG-QUCCMNQESA-N 474.583 2.212 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC1(CCOC)CCC1)[C@@H]1CCS(=O)(=O)C1 1740628339 XFXVFOUNXOMBRI-MOPGFXCFSA-N 450.605 2.353 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@H]1CCCCN1CC)[C@H]1CCS(=O)(=O)C1 1740628427 QIFWQZHWOKLMRU-UXHICEINSA-N 489.617 2.497 30 10 JEEE C#CCN(c1nnc([C@@H]2COc3ccccc3O2)n1CCN(CC)CCC)[C@@H]1CCS(=O)(=O)C1 1740628723 ZVKPYVQVJLLPNJ-KNQAVFIVSA-N 487.626 2.149 30 10 JEEE C=CCN(c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccc(C(=O)NCC(N)=O)cc1)C1CC1 1740908156 MTMBNAARFGGQIX-UHFFFAOYSA-N 498.385 2.454 30 10 JEEE C=CCOc1ccccc1Cn1c(-c2cnn(C)c2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1740969742 WABOIYJPURIXTE-LJQANCHMSA-N 456.572 2.305 30 10 JEEE CC[C@@H]1C[C@@H](C)CN1c1nnc(COc2ccc(C#N)cc2)n1CCN1CCCS1(=O)=O 1744840044 GZUDWNCRBPPXEJ-IEBWSBKVSA-N 458.588 2.389 30 10 JEEE C#CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1748751015 SPWOUVBACKKSFR-LJQANCHMSA-N 494.662 2.324 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H](C)CN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1748811826 LYDPEJJFJBTHBB-VQTJNVASSA-N 456.616 2.089 30 10 JEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCC(=O)N1CCCCCC1 1748828681 IOIIFQBSKNKXBB-UHFFFAOYSA-N 495.653 2.412 30 10 JEEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCn1cc(Cl)cn1 1748852041 UKLQZDQNBVNKQO-UHFFFAOYSA-N 477.016 2.266 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1nnnn1CC1CC1 1748902655 QXBPVKPIMUXWDP-IBGZPJMESA-N 479.589 2.258 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2CCC2(C)CC2)CC1 1749015272 BDHGBOYXQKVTGJ-UHFFFAOYSA-N 454.600 2.426 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1749132768 CUIRKFVIORKLFG-NZQKXSOJSA-N 488.658 2.495 30 10 JEEE C=C(C)COCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1749215781 FIQIOGZKUJOGDE-UHFFFAOYSA-N 458.588 2.318 30 10 JEEE C=CCCOCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1749445014 HMISPUFWLVBFKU-UHFFFAOYSA-N 489.378 2.215 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1749725730 XQKDPWGLHWTYKA-UHFFFAOYSA-N 497.625 2.288 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CC[C@@]2(CCCOC2)C1 1749736908 SDNTVYYCVBTRBA-QHCPKHFHSA-N 460.600 2.485 30 10 JEEE C=CCSCCn1c(N(C)CC(=O)N2CCOCC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1749763546 BGYIPKHWHAKHMC-HDICACEKSA-N 494.662 2.263 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1750060348 GPGZIFBQXCYPJS-SIFCLUCFSA-N 467.979 2.217 30 10 JEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCN(C)CC(F)(F)F 1760173294 QGGQKUDCGSAAQF-UHFFFAOYSA-N 472.537 2.149 30 10 JEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCN1CCC[C@@H]1C 1760195495 COQOXGJBDNFMEW-SFHVURJKSA-N 453.616 2.104 30 10 JEEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1C[C@H](C(CC)CC)N1CCOCC1 1760201440 BFNJGKVARSLZBS-OAQYLSRUSA-N 466.586 2.216 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccnc3)n2Cc2cccnc2OCC(F)(F)F)CC1 1760258401 VRCSNCIFFRFITK-UHFFFAOYSA-N 457.460 2.480 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCC(=O)NC(C)(C)C)CC1 1760267445 MFAPRUBHLDMBJZ-UHFFFAOYSA-N 496.612 2.233 30 10 JEEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1760275029 YNFOJVWBXYFAKB-OAHLLOKOSA-N 478.420 2.442 30 10 JEEE C=CCCCCn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1760421462 PVNFZBKMQDIZQT-CTNGQTDRSA-N 459.639 2.152 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC(CC(=O)NC2CCCC2)CC1 1760520728 XYKSEGBJCJOPEP-UHFFFAOYSA-N 453.591 2.251 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCn2cc(C)cn2)C1 1760539080 JQDTVAYASLZODA-LJQANCHMSA-N 456.572 2.335 30 10 JEEE COc1cc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2CCCNC=O)ccc1O 1862737293 FRFJZXCBQWTBFB-LJQANCHMSA-N 455.423 2.023 30 10 JEEE N#Cc1c(NC(=O)COc2cccc3c2C(=O)N(CCCN2CCOCC2)C3=O)sc2c1CCC2 1865823935 JYVXZFCCDLXNPY-UHFFFAOYSA-N 494.573 2.444 30 10 JEEE COc1cc(NC(=O)[C@@H](CO)NC(=O)C2CCN([C@H](C#N)c3cccs3)CC2)cc(OC)c1 1866868567 VEBFBPJAELWYST-WOJBJXKFSA-N 472.567 2.158 30 10 JEEE CCc1nc([C@@H](C#N)C(=O)CN2CCN(Cc3ccc4c(c3)OCO4)CC2)sc1C(=O)OC 1872796113 MDLCEUGHLLBHTC-INIZCTEOSA-N 470.551 2.215 30 10 JEEE CCCNC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1cccc([N+](=O)[O-])c1 1874336816 DMIHVKPQJOHQPJ-IMQYADFFSA-N 473.559 2.411 30 10 JEEE CC(C)N1C[C@H](c2nnc(SCCCO)n2/N=C/c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1=O 1874342087 ZDFOJCYMLWSWCK-XHADFYDMSA-N 490.542 2.039 30 10 JEEE CC(C)N1CCN(CC#CCOC2CCN(S(=O)(=O)c3cccc4cccnc34)CC2)CC1 1889796262 MKNZGAWQFZAXFP-UHFFFAOYSA-N 470.639 2.434 30 10 JEEE C[C@@H](O)CN(CCNC(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2255655366 LJCIBIJZDXGHMW-CQSZACIVSA-N 454.398 2.395 30 10 JEEE CC(C)(C)OC(=O)N(CC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1)[C@H]1CCOC1 2259868503 MVDCQNGVPAWQHR-ZDUSSCGKSA-N 453.370 2.407 30 10 JEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@H]1COCCN1C(=O)OC(C)(C)C 2267006426 UBGSJRYIUZGWKC-HNNXBMFYSA-N 450.341 2.253 30 10 JEEE Cc1c(B2OC(C)(C)C(C)(C)O2)csc1C(=O)N1C[C@@H](O)C[C@@H](NC(=O)OC(C)(C)C)C1 2267105684 PIWRUEKMFLEORM-CABCVRRESA-N 466.409 2.456 30 10 JEEE CC1(C)OB(c2cccnc2C(=O)N[C@@H]2CCOC[C@@H]2NC(=O)OCc2ccccc2)OC1(C)C 2267586405 JQVJJCKADPIIMB-UXHICEINSA-N 481.358 2.195 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CC[S@@](=O)(=NC(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267588588 OBSZVVVUPACIJP-KNTRGWTASA-N 465.381 2.286 30 10 JEEE C=C(CS(=O)(=O)NC12CC(CNC(=O)OC(C)(C)C)(C1)O[C@@H]2C)B1OC(C)(C)C(C)(C)O1 2267724751 OITTXVZLVCJFGK-TVRCVXMWSA-N 472.413 2.308 30 10 JEEE C[C@H](NC(=O)[C@@H](CN(C)C)NC(=O)OC(C)(C)C)c1nscc1B1OC(C)(C)C(C)(C)O1 2268654524 ANEFMYJNOCDRHA-DZGCQCFKSA-N 468.429 2.074 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)CC12CC2 2268679455 NTHJKFUVXUMORP-ZDUSSCGKSA-N 464.397 2.377 30 10 JEEE N#Cc1ccc(Br)cc1NS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2270530577 JCODGNHHEJXFQK-MRXNPFEDSA-N 482.312 2.442 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CO1 2279448186 KSMLPHZUHFJLBM-HOCLYGCPSA-N 462.356 2.034 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H]2CCN(C(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)C[C@H]2C1 2281925683 ZJMCDWVQSNGQJV-HOTGVXAUSA-N 460.384 2.428 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2C[C@@](F)(CNC(=O)OC(C)(C)C)C2)n1 2282042249 BIIWVCDFMLUAAU-CAJLXGCNSA-N 466.363 2.092 30 10 JEEE COC(=O)C1(NC(=O)c2cc(C)c(B3OC(C)(C)C(C)(C)O3)s2)CN(C(=O)OC(C)(C)C)C1 2282091492 HAUHKNLULJXIIE-UHFFFAOYSA-N 480.392 2.248 30 10 JEEE Cn1ncc(CNC(=O)OC(C)(C)C)c1NC(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282178104 LILFFBYZQIBWOW-UHFFFAOYSA-N 457.340 2.391 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)[C@@H]2COC[C@@H]21 2282182324 QSQNFYAKFOETQK-MOPGFXCFSA-N 458.364 2.446 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2CN(S(=O)(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)cc3)C[C@H]2C1 2282343606 QREZDVXQFSKCJQ-CALCHBBNSA-N 478.420 2.473 30 10 JEEE COC1(CNC(=O)c2cc(F)ccc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2282398136 WWJQWEYNQHLNEH-UHFFFAOYSA-N 464.343 2.491 30 10 JEEE CC(C)(C)OC(=O)N1CC(F)(CNS(=O)(=O)Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2282502035 FUISQWSWFRRHIH-UHFFFAOYSA-N 484.399 2.364 30 10 JEEE C[C@@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)C[C@@H](C)C1NC(=O)OC(C)(C)C 2282532842 CVEDGQXCRGBDGY-HUUCEWRRSA-N 462.400 2.341 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CSCCN(C(=O)OC(C)(C)C)C1 2282594112 ZZQHVMDRSKGLBF-HNNXBMFYSA-N 480.440 2.285 30 10 JEEE Cn1nc(C(=O)N[C@@H]2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)cc1B1OC(C)(C)C(C)(C)O1 2282627147 GPMHFCKZZJVSEA-BZUAXINKSA-N 460.384 2.095 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@H]1CCCN(Cc2ccccc2)CC1 2282848336 MKORZYXFIYKVOO-IBGZPJMESA-N 474.436 2.052 30 10 JEEE COCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)c(C)n1 2283958540 AQCMTJYDYOKMFG-INIZCTEOSA-N 464.372 2.343 30 10 JEEE CC(C)(C)OC(=O)N[C@H](C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F)[C@@H]1CCOC1 2284049009 QYMQAQBGHOYEJF-CJNGLKHVSA-N 465.331 2.388 30 10 JEEE CN[C@](C#N)(Cn1cnc(I)c1I)[C@@H]1CC1(F)F 2327274295 JHYKWQJBHQTSAM-IMTBSYHQSA-N 478.022 2.229 30 10 JEEE CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N1CCc2scc(B3OC(C)(C)C(C)(C)O3)c2C1 2336495639 YELGUICERPPPJY-MRXNPFEDSA-N 466.409 2.208 30 10 JEEE CC(C)(C)OC(=O)N[C@]1(C)CN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CC1(F)F 2336775988 KECWKSBAHQVRRY-LJQANCHMSA-N 456.299 2.083 30 10 JEEE CC(C)(C)OC(=O)NC[C@](CF)(C(=O)O)N1C[C@@H](NC(=O)C(F)(F)F)CC[C@H]1C(F)(F)F 2351153738 ODAXVNDWBSZALK-AMJWSMQMSA-N 483.381 2.378 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C)n1C 2362341120 QYXXMLKTUWCDIZ-GOEBONIOSA-N 462.400 2.261 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C)n1C 2362341121 QYXXMLKTUWCDIZ-HOCLYGCPSA-N 462.400 2.261 30 10 JEEE COc1ccc(NC(=O)CSc2nnc(N/N=C/c3cccc(OC)c3O)n2N)c(C)c1 21319040 MKORBQNGOPRQJO-LSHDLFTRSA-N 457.516 2.200 30 10 JEEE COc1ccc(OC)c(/C=N/Nc2nc(SCC(=O)NCc3nnc(C(C)C)o3)n[nH]2)c1 59879779 AZKMJWBBMKLDFF-ODCIPOBUSA-N 460.520 2.183 30 10 JEEE COc1cc([C@@H]2C3=C(O)N=C(NCc4ccc5c(c4)OCCCO5)NC3=NC(=O)[C@@H]2C#N)ccc1O 72461299 IOYSAGHHVCKMAM-QRWLVFNGSA-N 489.488 2.243 30 10 JEEE COc1cccc([C@@H]2c3c(nc(NCc4ccc5c(c4)OCCO5)[nH]c3=O)NC(=O)[C@@H]2C#N)c1OC 72472390 KTHDPVZNLQMLQO-BEFAXECRSA-N 489.488 2.394 30 10 JEEE COC(=O)c1[nH]c(C)c(/C(O)=C2/C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(C)o2)c1C 103090950 BMCOOMNDETWFBF-NNWMPZTLSA-N 485.537 2.464 30 10 JEEE COCCN(CCOC)C1=C(c2ccc([N+](=O)[O-])cc2)C(=O)N(c2ccc(C#N)cc2)C1=O 169981466 OWGQETOIJREPLN-UHFFFAOYSA-N 450.451 2.346 30 10 JEEE C=CCOC(=O)C1=C(C)N=c2sc(=Cc3ccco3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)cc1 254758382 LEISFVWGZRXPRG-OAQYLSRUSA-N 464.499 2.483 30 10 JEEE C=CCNc1nnc(SCC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2N(C)C)s1 505033324 SMJKKILNSXLWEP-UHFFFAOYSA-N 456.619 2.183 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1cccc(C(N)=O)c1 1286273996 HSTXUNNDWYNGFS-HNNXBMFYSA-N 465.583 2.152 30 10 JEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 1286350311 ZGOAUXPCAJVUMN-AEFFLSMTSA-N 464.613 2.195 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(Cl)c(OC)c(OC)c1 1286430000 FJGCJBYRPSFIPV-QGZVFWFLSA-N 476.986 2.362 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@](C)(O)CCC(C)C)CC1 1286485853 AXRYFRAKAIJDDJ-VWLOTQADSA-N 481.601 2.078 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N[C@H](C)CC)CC1 1286487874 QJHIMKSVZYEYMQ-GOSISDBHSA-N 461.570 2.087 30 10 JEEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2cc(Cl)ccc2C1 1286507660 BFENIMQFSKKTQA-LJQANCHMSA-N 496.058 2.194 30 10 JEEE C=C(Cl)Cn1c(Cc2cn3ccccc3n2)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1286631973 CCXXWAWDARYVKT-GOSISDBHSA-N 479.006 2.299 30 10 JEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](C)NC(=O)OC(C)(C)C)CC1 1286652117 SNEBKMRAJUOXHJ-HUUCEWRRSA-N 456.613 2.204 30 10 JEEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1286675159 LUSUKCHFHIDSTN-QFIPXVFZSA-N 487.693 2.234 30 10 JEEE C=CCCOCCn1c(-c2ccccc2Br)nnc1N1CCO[C@H](C(=O)NC)C1 1286708488 DVFKFYSVRIZVOW-KRWDZBQOSA-N 464.364 2.252 30 10 JEEE C=CCN(c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(C)(C)N1CCOCC1)C1CC1 1286734561 SDKFVPAROZZPLG-UHFFFAOYSA-N 488.658 2.461 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1286780206 RBJUVBYWMQJAFI-IBGZPJMESA-N 476.585 2.378 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCC[C@H](c2ccnn2C)C1 1286792468 YWDJRZLVIMLISO-SFHVURJKSA-N 465.558 2.285 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1286817139 QELHQJIVXFXUHA-UHFFFAOYSA-N 472.615 2.170 30 10 JEEE C#CCCN1CCC(NC(=O)CNS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CC1 1293933644 VRWLINTXQKUVIF-UHFFFAOYSA-N 451.898 2.241 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(O)(Cc3ccccc3F)CC2)s1 1297199365 NXCPEFZVKLHFOI-UHFFFAOYSA-N 452.573 2.490 30 10 JEEE CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@H](C(C)C)N1CCCC1 1297271007 HKMPGORSYDXKHX-OAQYLSRUSA-N 469.638 2.175 30 10 JEEE COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@]2(O)CCSC2)cc1Br 1300076478 GYPHLMFWFNAICQ-LIRRHRJNSA-N 480.388 2.313 30 10 JEEE C#CCCCCn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1300345512 ZAVJVFWPNFGYFM-UHFFFAOYSA-N 464.570 2.028 30 10 JEEE C#CCN(c1nnc(COCC)n1Cc1ccc(N2CCCCCC2)nc1)[C@H]1CCS(=O)(=O)C1 1300503568 DROCSWNHELMWCV-NRFANRHFSA-N 486.642 2.265 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2ccc(F)cc2)n1CC1(N2CCOCC2)CC(OCC)C1 1300538438 RLBFSXGJRDDZKX-UHFFFAOYSA-N 465.573 2.351 30 10 JEEE COCC(C)(C)CCCn1c([C@H]2CCOC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1300924995 FZWMOOQCBQUVQJ-IBGZPJMESA-N 470.622 2.475 30 10 JEEE C=CCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1301202753 PYWGABSOLQLYKP-KRWDZBQOSA-N 470.549 2.451 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CCN(CCOC)[C@@H](C)C1 1301577128 FMORCJXIHGJNIN-KRWDZBQOSA-N 468.023 2.356 30 10 JEEE C#CCCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1358916414 KOTHCXJXUZVERL-FQEVSTJZSA-N 478.597 2.105 30 10 JEEE C#CCN(c1nnc([C@@H](CC)c2ccccc2)n1CCCC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1358956138 AWXXCMTYAKLDKH-RTWAWAEBSA-N 471.627 2.315 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(OC)c2)n1CCN1CCN(C)C(C)(C)C1 1358990049 YWBSSAFYVCALQC-UHFFFAOYSA-N 464.614 2.451 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cccc(C(N)=O)c1 1358994904 YRCUZBYMVALXRH-OAQYLSRUSA-N 492.580 2.197 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCCOCC)CC1 1359045968 ZCICOUVOQWCIRQ-NRFANRHFSA-N 453.543 2.183 30 10 JEEE C#CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CCC(S(C)(=O)=O)CC1 1359050134 HOMBCCPHSUMXAY-UHFFFAOYSA-N 486.461 2.426 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(F)F)CC1 1359091297 LTYAVMZSPOXJRT-APWZRJJASA-N 461.517 2.294 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1359291769 BJEJNRWLUZJCHC-QRQCRPRQSA-N 458.950 2.233 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@H](C)OC(C)(C)C1 1359293175 JKVJVNPDGOMFQL-ZDUSSCGKSA-N 451.369 2.352 30 10 JEEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 1467943406 IODLBANIIPDNLM-GOSISDBHSA-N 459.572 2.069 30 10 JEEE Cc1nc(S(=O)(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)sc1Br 1475260817 FGSQLXNEFNHQPY-CYBMUJFWSA-N 455.359 2.165 30 10 JEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CC1(S(C)(=O)=O)CCC1)[C@H]1CCS(=O)(=O)C1 1507627365 SIQCSENHJKJPIZ-SFHVURJKSA-N 497.042 2.193 30 10 JEEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCSCc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1507633545 STJYLBLKEANNIX-PMACEKPBSA-N 487.651 2.098 30 10 JEEE C#CCN(c1nnc(CSc2ccc(Cl)cc2)n1CCC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1507639556 ZOBNDYATPMYLMC-KRWDZBQOSA-N 496.058 2.329 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@]1(O)CCSC1 1507687575 QTSLBCYABIDFPQ-QHCPKHFHSA-N 452.584 2.393 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2Cc2ccc(C)n(C)c2=O)CC1 1507729933 LNWUPOYGEGKZJN-UHFFFAOYSA-N 450.974 2.333 30 10 JEEE C#CCSCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1507754024 UHTWUPZFTFPRHR-UHFFFAOYSA-N 479.610 2.427 30 10 JEEE C=C(C)Cn1c(Cc2cccnc2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1507833141 YDNAKXCJHJIDAJ-OYRHEFFESA-N 451.619 2.467 30 10 JEEE C=C1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1507879374 UAVZRZAQCNAJGJ-HSZRJFAPSA-N 476.599 2.447 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@]1(O)CCS(=O)(=O)C1 1508017195 KYHYCCHZHYAKCD-JPYJTQIMSA-N 495.646 2.121 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1508084691 AGOQHCVYSLINEV-NRFANRHFSA-N 467.549 2.029 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1508086324 NDGBLROTJZDQNU-UHFFFAOYSA-N 481.532 2.005 30 10 JEEE C=CCOc1ccccc1Cn1c(CC2CC2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1508108535 KVKXNVWTECHUNI-UHFFFAOYSA-N 466.586 2.017 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc(OC)c(OC)c1Cl 1538975069 XHJATFRZQXCTQW-KGLIPLIRSA-N 469.995 2.260 30 10 JEEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CCOc1ccc(S(C)(=O)=O)cc1 1539029040 GXPYLIGEOKSFTK-INIZCTEOSA-N 487.607 2.210 30 10 JEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](c2noc(C3CC3)n2)C1 1539052739 ISHBSDVXARVMTC-NVXWUHKLSA-N 461.592 2.336 30 10 JEEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1539078752 GOUJHQXBSOVMCT-RDPSFJRHSA-N 480.661 2.322 30 10 JEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(N(C)C)CCSC1 1539178220 FQQRLPUPAKHFMZ-VGSWGCGISA-N 464.636 2.093 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1CC[C@@H](C)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1539216031 MUKUZPYKBBUVPE-TZIWHRDSSA-N 456.616 2.231 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1Cc1ccc(F)cn1)[C@H]1CCS(=O)(=O)C1 1539220901 WKMAMKQQHNTWTB-FQEVSTJZSA-N 457.506 2.217 30 10 JEEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1C[C@@H](C1CC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1539230145 KRJCUCFSJBZHCG-CTNGQTDRSA-N 492.045 2.477 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H](C)CN1CCCC1 1539261107 XVQYZRUQGLFXBG-FQEVSTJZSA-N 457.582 2.480 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3COc4ccccc4O3)n2C[C@@](C)(O)CCC)CC1 1539482103 RFABCAWTSUHXCI-BWKNWUBXSA-N 467.570 2.308 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(COCC)cc1 1539557480 VEVLOEKCLSAMOJ-XUZZJYLKSA-N 487.626 2.188 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1539645541 QYGAMMGVHQIVAY-GIWBLDEGSA-N 455.607 2.426 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1539903563 ZXBDEGYVZWFHIQ-SJLPKXTDSA-N 470.549 2.307 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCC(=O)N2CCCCCC2)C1 1540883303 XIERYFZQVBWWEG-LJQANCHMSA-N 467.574 2.499 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1540899698 YAVSBKCNQBONHB-UHFFFAOYSA-N 486.598 2.475 30 10 JEEE COCCN(CCC#N)c1nnc(-c2ccc3c(c2)OCO3)n1CC(C)(C)N1CCOCC1 1555556309 BRUAUNYAYLGZIK-UHFFFAOYSA-N 456.547 2.151 30 10 JEEE N#Cc1ccc(O[C@H]2CCN(C(=O)CCc3ccc(S(=O)(=O)N4CCCC4)cc3)C2)nc1 1583979584 AUVZLALEQAEDGF-FQEVSTJZSA-N 454.552 2.350 30 10 JEEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCN(CC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 1587267492 LGUCADDKIKYVEW-GOSISDBHSA-N 456.465 2.139 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCNC(=O)c1cccc(O)c1 1587615557 WDILMCFZTVAHBZ-QGZVFWFLSA-N 495.609 2.222 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccc(C)n3)n2C[C@H]2CCS(=O)(=O)C2)c1 1587689921 SSYUWKXXWMHSTB-LJQANCHMSA-N 478.578 2.139 30 10 JEEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1587803550 FRRXJYNXJJVRPG-UHFFFAOYSA-N 459.510 2.007 30 10 JEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C[C@@H]1CN(CC)c2ccccc2O1 1587807282 AFIVQCSBGGSRFM-ZWKOTPCHSA-N 460.604 2.025 30 10 JEEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1ccnc(OC2CCOCC2)c1)[C@H]1CCS(=O)(=O)C1 1588030210 QVBPFBAUISYMBT-ICSRJNTNSA-N 487.626 2.419 30 10 JEEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1588035829 YAWDUFOJCMVKKB-YZGWKJHDSA-N 490.651 2.412 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1Cc1ccc(OC)nc1)[C@@H]1CCS(=O)(=O)C1 1588045385 JZDDYDZQGUCVDX-GOSISDBHSA-N 467.551 2.032 30 10 JEEE C#CCN(c1nnc(-c2ccc3ccccc3n2)n1CCOCC(F)F)[C@@H]1CCS(=O)(=O)C1 1588045663 OEULTKSRMVLBRP-QGZVFWFLSA-N 475.521 2.402 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)Oc2ccccc2F)CC1 1588733658 XSAZRZXPBIFYBQ-SFHVURJKSA-N 463.517 2.287 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCCOCC1 1589506267 UHCKNYXZDYDBEC-PZJWPPBQSA-N 475.615 2.403 30 10 JEEE C=C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1594070803 NBFWTNPSUPCONS-QGZVFWFLSA-N 461.588 2.400 30 10 JEEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1594825333 XGNKTKACYNIJRO-UHFFFAOYSA-N 467.549 2.331 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(Cc2csc(C)n2)CC1 1595530077 RRPINLALTHAJRR-UHFFFAOYSA-N 452.588 2.038 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cnccn3)n2CCNC(=O)Cc2cccc(F)c2)C1 1595713584 BDRSEFIPAMHEST-IBGZPJMESA-N 451.506 2.014 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1595765507 BLTBWCMXPHDBBA-GOEBONIOSA-N 483.436 2.309 30 10 JEEE Cc1nc(C)c(CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(CCC#N)CC2CC2)s1 1612380318 CFKIJTIHYUPEFK-GOSISDBHSA-N 493.659 2.057 30 10 JEEE CCS(=O)(=O)N(C)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCO2)CC1 1617334041 DJENHWAIUCOSJE-HXUWFJFHSA-N 458.588 2.246 30 10 JEEE CN(C)[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](C#N)C1)c1ccccc1Cl 1617642803 CBACLMOSBZGQRB-LPHOPBHVSA-N 457.966 2.086 30 10 JEEE CNC(=O)c1cccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC(CC#N)CC2)c1 1618615266 FLWZAKBFTFGHCC-UHFFFAOYSA-N 458.526 2.463 30 10 JEEE CN(C)CCNC(=O)c1ccc(CNC(=O)COc2ccc(C#N)c(Br)c2)cc1 1628733586 CPKJQOVWGNYRAU-UHFFFAOYSA-N 459.344 2.307 30 10 JEEE CC1(C)CN=C(N2CCN(CC(=O)N3CCN([C@H](C#N)c4ccc(F)cc4)CC3)CC2)S1 1652921426 BJGZPOHZWDPGRN-HXUWFJFHSA-N 458.607 2.034 30 10 JEEE C=CCN(C(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)OC)C2)cc1)[C@@H](C)COC 1672849765 WMHUYZHQWLTKAI-DLBZAZTESA-N 453.561 2.315 30 10 JEEE C#CCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1689935554 KCTPRSJGZBNCEN-QHCPKHFHSA-N 484.670 2.070 30 10 JEEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1Cc1cc(C)on1)[C@@H]1CCS(=O)(=O)C1 1689996705 MMDZTKCOGHVQSU-GOSISDBHSA-N 475.958 2.482 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccccc2OC)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1690028447 WRZCGZBGANSMGI-SFTDATJTSA-N 497.621 2.143 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@H]2CC(F)(F)CO2)CC1 1690139346 ISSYRQJYCAQQHI-LJQANCHMSA-N 459.497 2.344 30 10 JEEE C=C(Br)Cn1c(N2CCN(c3cnn(C)c3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1690234387 CHPPIZKNEDFEHY-FQEVSTJZSA-N 480.411 2.287 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(N(C)C)CCOCC1 1690259526 MNBVAWWVOYPUSO-UHFFFAOYSA-N 451.579 2.434 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1690667714 FGFGELRSZLBTIO-WMZOPIPTSA-N 455.563 2.382 30 10 JEEE C=CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC(=O)N(C)C[C@@H]1C 1690744085 JMEOAFSIZUQDCO-KRWDZBQOSA-N 456.620 2.038 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2cccc(C)c2C)n1CC(=O)N(C)CC)[C@@H]1CCS(=O)(=O)C1 1705562203 YUMWPJDAGCNOEW-VQTJNVASSA-N 487.626 2.140 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1CCc1ccncc1)[C@H]1CCS(=O)(=O)C1 1705568571 QHBOQFNVMMIDHC-NRFANRHFSA-N 465.579 2.430 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1CSCCS1)[C@H]1CCS(=O)(=O)C1 1705571427 ZEJPHRSIIOMZFC-RBUKOAKNSA-N 480.656 2.483 30 10 JEEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1csc(-c2ccccc2)n1 1705574175 WZLVLAWDVDTIIX-KRWDZBQOSA-N 468.608 2.327 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC(C)(C)N2CCCCC2)CC1 1705645393 SHNWQSPDEOMIQG-AREMUKBSSA-N 486.661 2.161 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1705693856 LKMGUDAUSDJNJN-ZVDOUQERSA-N 468.606 2.293 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(OC)CC1 1705696869 IRQJUQJJQHSFJJ-NYUBLWNDSA-N 455.625 2.265 30 10 JEEE C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 1705806321 BFJPFRDYWJHTDS-HXUWFJFHSA-N 472.615 2.487 30 10 JEEE C=CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1705812709 JMRSTKNIDXFYLU-ZDUSSCGKSA-N 457.398 2.472 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(CCCO)CC1 1705933186 XHRIWEGHBHADIY-UHFFFAOYSA-N 462.572 2.264 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CCOC)CCCCC1 1722295132 JDWISTBHTNSRCY-MOPGFXCFSA-N 467.636 2.056 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H](C)Oc1ccccc1OC)[C@H]1CCS(=O)(=O)C1 1722364559 IAGDJBJBMJSAIQ-CTNGQTDRSA-N 495.605 2.367 30 10 JEEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1C[C@@]1(C)CCCS1)[C@@H]1CCS(=O)(=O)C1 1722372138 QEGHNVXJPFMJSV-IIBYNOLFSA-N 493.680 2.182 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(COc2cccc(C)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1722476395 TVBBSUXXZKLBIZ-AUSIDOKSSA-N 457.600 2.439 30 10 JEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cc(F)cc(F)c2)CC1 1722630217 XIUBZLMRNMVMIH-KRWDZBQOSA-N 481.569 2.378 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CCC(S(=O)(=O)CC)CC1 1722696159 CTSIMYFEIMBNNZ-UHFFFAOYSA-N 496.431 2.413 30 10 JEEE C=CCNC(=O)Cn1c(N2C[C@H](C)O[C@@H](c3ccccc3)C2)nnc1[C@@]1(OCC)CCOC1 1722703726 FWHNRJONHJJGTH-MFSJNOQSSA-N 455.559 2.199 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC[C@H](CC(N)=O)C1 1722730047 GRJHXIIWMKPBJT-QGZVFWFLSA-N 470.599 2.043 30 10 JEEE C=CCSCCn1c(N2CCN3C(=O)NC[C@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1722739669 KHPRJGQCAISLRE-BBWFWOEESA-N 477.635 2.182 30 10 JEEE CC(=O)N1CCCN([C@@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCCCCO)C[C@@H]2C)CC1 1722777005 LVWHXYZMYQIOBP-GBXCKJPGSA-N 479.629 2.358 30 10 JEEE Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc(C#N)cc3)n2C[C@H]2CCCS(=O)(=O)C2)n1 1725936787 IESBJEGDLMSQBD-OAQYLSRUSA-N 467.599 2.473 30 10 JEEE C#CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(C(=O)NC)CC1 1740576475 YGHQVUUCXKEALC-UHFFFAOYSA-N 450.591 2.218 30 10 JEEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1CC1CCN(Cc2cccs2)CC1 1740641131 DGFJFPJCXHFWKL-UHFFFAOYSA-N 450.612 2.447 30 10 JEEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 1740680030 PLHSTMLTRMBBQD-ZNMIVQPWSA-N 451.515 2.268 30 10 JEEE C=C(Br)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N(C)[C@H](C)CC(N)=O 1740747152 AFRCWYPHNLVLOS-GOSISDBHSA-N 490.450 2.252 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(C)o1 1740760062 GLAMKZBQHJPNJR-HOJAQTOUSA-N 479.603 2.130 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CCC(=O)N1 1740914722 JTMKPYQGKGGTLM-YKSBVNFPSA-N 450.543 2.273 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC(c2cnn(C)c2)CC1 1740953387 DRFMRDMINZKZRX-UHFFFAOYSA-N 465.558 2.382 30 10 JEEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1740995587 QKASGENGJLULCR-GOSISDBHSA-N 456.620 2.329 30 10 JEEE CC(C)NC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(c2ccnn2C)CC1 1741702654 DDPKQGFLIVLTQU-UHFFFAOYSA-N 462.558 2.371 30 10 JEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 1748700152 YHKVUBKIKKXBAS-INIZCTEOSA-N 468.624 2.185 30 10 JEEE C#CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1748717744 HNSMVLPOYVBBHS-MSOLQXFVSA-N 481.619 2.013 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1C[C@H](c1ccc(C)o1)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1748802205 NICBIMHOOLKQLB-VQTJNVASSA-N 489.642 2.177 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1Cc1ccc(N(C)C)nc1)[C@@H]1CCS(=O)(=O)C1 1748820079 YRKIBPYYCJQSEI-OAQYLSRUSA-N 494.621 2.014 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCCN1CCOCC1 1748930155 ZYDVWURALVMDKS-FQEVSTJZSA-N 476.622 2.158 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC2(CCOC)CC2)CC1 1748988806 BRLRRUPZCNWASM-HXUWFJFHSA-N 488.633 2.158 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccc(F)cc2)CC1 1749003300 DWKWKQAYUXATLU-RUZDIDTESA-N 469.561 2.472 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCc2cccc(OC)c2)CC1 1749003370 HEPFOEPIADYDAU-AREMUKBSSA-N 481.597 2.147 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1749020526 WLWBJJRAUWCIIU-FQEVSTJZSA-N 485.635 2.140 30 10 JEEE C=CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)OC[C@@H]2C1 1749429894 FHTBNECRJMFUPR-IRXDYDNUSA-N 462.551 2.194 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1ccc(C(=O)NC)cc1 1749652019 FXWVQDNZEKPRJP-UHFFFAOYSA-N 486.374 2.334 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](c2cccc(Br)c2)C1 1749663709 NVYFODLOZOQNCP-GOSISDBHSA-N 486.374 2.321 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(NC(=O)c2ccccc2C)CC1 1749670527 SNERHIVIFFVUPI-LJQANCHMSA-N 466.586 2.182 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CC[C@H](C(N)=O)C1 1749724213 HUVCZPONDPAVBH-IBGZPJMESA-N 482.610 2.265 30 10 JEEE CC(C)N(C)CCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1751234548 CAQFRRSXVYVZFH-RXVVDRJESA-N 489.646 2.068 30 10 JEEE C#CCCCn1c(COc2ccc(F)cc2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1760158513 NFWVGLPCURNUDY-UHFFFAOYSA-N 455.534 2.485 30 10 JEEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1C[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1760191794 NIASYZBXLFHVMZ-PMACEKPBSA-N 458.584 2.137 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCCCNC(=O)OC(C)(C)C)CC1 1760269373 GMKGCDATVDOWRB-LJQANCHMSA-N 474.606 2.053 30 10 JEEE C=C(Br)Cn1c([C@H]2CCCCO2)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1760306719 JYFNVYOXOMZIJZ-HZPDHXFCSA-N 477.425 2.458 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@]1(O)CCS(=O)(=O)C1 1760339193 ZVOVXHNVKLQBGT-FDDCHVKYSA-N 497.662 2.345 30 10 JEEE C=CCCOCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(S(C)(=O)=O)CC1 1760451946 YYGPORCWECYGAX-HXUWFJFHSA-N 462.572 2.397 30 10 JEEE C=CCN(CCc1ccco1)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(=O)N(C)CC 1760500116 SMTHWQGPRFZQMC-UHFFFAOYSA-N 475.553 2.498 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CC(=O)Nc1c(C)cc(C)cc1C 1760514343 BUTBETWRFLAFJS-UHFFFAOYSA-N 490.568 2.228 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CCOc3ccccc32)C1 1760534881 IIAZRLNLBZRGOE-FGTMMUONSA-N 461.588 2.236 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCC[C@@H](Oc2ncccc2F)C1 1760556337 AHKJKUFKYICQNI-LJQANCHMSA-N 486.573 2.447 30 10 JEEE CN(C)C(=O)C1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)CCCC1 1768424719 DMCYUOWCBNPIKL-HXUWFJFHSA-N 484.626 2.479 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(Cc2ccc(OC)c(F)c2)CC1 1772567192 TWNKPJINBNIJEE-NRFANRHFSA-N 472.565 2.292 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)[C@@H](C)Oc3cccnc3NC(=O)N[C@H](C)C(=O)O)cc21 1858806486 CAWZHQNBWPIUOZ-ZIAGYGMSSA-N 468.466 2.238 30 10 JEEE C=CCNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O 1861532408 IEXWXWULNFRQSM-KUHUBIRLSA-N 453.882 2.018 30 10 JEEE CN(C)CCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(O)c([N+](=O)[O-])c1 1862745210 DFPFAGFPKLTEHG-GOSISDBHSA-N 456.411 2.349 30 10 JEEE CC(=O)Nc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N(CCN3CCOCC3)C2=O)cc1 1863193154 QANUBITZERLIAP-UHFFFAOYSA-N 459.506 2.041 30 10 JEEE CCCNC(=O)COc1cn(CCNC(C)=O)c(CSc2nc(C)c(C)c(C)c2C#N)cc1=O 1870190933 CPTJXEYSMRLBKM-UHFFFAOYSA-N 485.610 2.374 30 10 JEEE C#CCOc1cn(CCc2ccc(S(N)(=O)=O)cc2)c(CNc2cc(OC)cc(OC)c2)cc1=O 1871008675 IICPQTZFVWSIER-UHFFFAOYSA-N 497.573 2.380 30 10 JEEE COC(=O)CSc1nnc(Cc2ccc(OC)c(OC)c2)n1/N=C/c1ccc(O)cc1O 1874238941 MZWZEIGADFENHX-SSDVNMTOSA-N 458.496 2.445 30 10 JEEE CN(CC1CCN(C(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)CC1)c1ncccc1C#N 1891364739 JRHSSCVDWOOXGD-FQEVSTJZSA-N 475.549 2.452 30 10 JEEE C#CCn1ncc(NC[C@H]2CN(C(=O)OCc3ccccc3)CCO2)c(Br)c1=O 2106127144 OHJFIIFHZGBOTR-INIZCTEOSA-N 461.316 2.089 30 10 JEEE Cc1cnc(OC[C@H]2CCS(=O)(=O)N2C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2232306724 LEZRMFJQHBLRJW-OAHLLOKOSA-N 468.381 2.407 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CC[C@H]1NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2247880496 GGRSVEVMRBIKAB-UONOGXRCSA-N 458.411 2.381 30 10 JEEE C[C@H](NC(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)C1(O)CN(C(=O)OC(C)(C)C)C1 2255535128 QNDJRYCXMMJYBK-ZDUSSCGKSA-N 452.382 2.147 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC(NC(=O)OC(C)(C)C)C1 2255742017 ABNDMTOTAQVARN-UHFFFAOYSA-N 452.382 2.192 30 10 JEEE Cc1ccc(S(=O)(=O)NCCN(C)C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2255745188 PDDHOPVRQHSOLB-UHFFFAOYSA-N 454.398 2.439 30 10 JEEE CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2256614254 MFZPIBROMZYTSL-STQMWFEESA-N 453.370 2.263 30 10 JEEE C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2256626829 OPKVGGSTIWRECF-WWGRRREGSA-N 454.398 2.499 30 10 JEEE C=C(CS(=O)(=O)N[C@H]1CO[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1)B1OC(C)(C)C(C)(C)O1 2267469990 DDLFODMYFPJLHP-IIBYNOLFSA-N 472.413 2.262 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)CCCO1 2267555820 AACWHXBJNYKAPE-HNNXBMFYSA-N 450.341 2.335 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@H](NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)c(F)c2)C1 2267703576 YCEVBWRZLMCIJH-HDJSIYSDSA-N 470.372 2.459 30 10 JEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)[C@@H]1NC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2281829316 WUFLJUMSNFWKPJ-QLPKVWCKSA-N 462.400 2.341 30 10 JEEE CCc1nn(C)c(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C)c1B1OC(C)(C)C(C)(C)O1 2281981052 XJMCFOUIGZJPNT-HOCLYGCPSA-N 462.400 2.267 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]2C[C@H]12 2281998451 PABHRIRKNWLQTK-BZUAXINKSA-N 460.384 2.155 30 10 JEEE 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)cnn2C)C1 2282042678 DHKSXNORYWWFJZ-CVEARBPZSA-N 462.400 2.437 30 10 JEEE Cc1cc(S(=O)(=O)N2C[C@H]3[C@H](NC(=O)OC(C)(C)C)[C@H]3C2)ccc1B1OC(C)(C)C(C)(C)O1 2282325945 LTOKKCWEVIQFBZ-DZFIZOCASA-N 478.420 2.438 30 10 JEEE C[C@@H]1CC[C@@H](NC(=O)C(F)(F)F)CN1S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282494697 BCAYFBRCGUNZNG-TZMCWYRMSA-N 496.382 2.409 30 10 JEEE Cn1cc(C(=O)N[C@H]2C[C@@H]3[C@@H](NC(=O)OC(C)(C)C)C[C@H]3C2)nc1B1OC(C)(C)C(C)(C)O1 2282547443 QNYJYYKZLXRDKY-WCVJEAGWSA-N 460.384 2.141 30 10 JEEE Cn1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC23CCC3)c(B2OC(C)(C)C(C)(C)O2)n1 2282576371 PSYKYCOKVQTJAL-UHFFFAOYSA-N 460.384 2.335 30 10 JEEE Cn1cc(C(=O)N[C@@H]2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)c(B2OC(C)(C)C(C)(C)O2)n1 2282590245 YOXGJZODAIFNMG-MUJYYYPQSA-N 460.384 2.095 30 10 JEEE Cn1nc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)[C@H]3CCC[C@H]23)cc1B1OC(C)(C)C(C)(C)O1 2282614960 LRVDTEMKIAJEBL-OIISXLGYSA-N 460.384 2.237 30 10 JEEE CN(C(=O)OC(C)(C)C)[C@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)CC12CC2 2282617709 LWGFLYGUJUUQND-INIZCTEOSA-N 460.384 2.191 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCC1CN(Cc2ccccc2)C1 2282867435 YRCNXSZGURJUFZ-UHFFFAOYSA-N 472.416 2.405 30 10 JEEE COc1ccc(OC)c(C=CC(=O)[C@@H]2CNCC[C@@H]2NC(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)c1 2328155838 NDWWUMPMETUQLY-USCONSEESA-N 491.544 2.065 30 10 JEEE Cn1c(=O)c2c(nc(N/N=C/c3cccc(O)c3)n2Cc2ccccc2Br)n(C)c1=O 8636876 HOYUTTOTKWZBEE-FOKLQQMPSA-N 483.326 2.396 30 10 JEEE COc1cc(NC(=O)c2cccc(/N=C3\N[C@H]4CS(=O)(=O)C[C@@H]4S3)c2)cc(OC)c1OC 9860324 UKIXELQKAJFERU-YJBOKZPZSA-N 477.564 2.454 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)cc2C1=O 14685739 ZUMYVWJNOWSQTP-UHFFFAOYSA-N 473.938 2.269 30 10 JEEE COC(=O)c1ccc(/C=N/Nc2nnc(SCC(=O)c3ccc(OC)c(OC)c3)n2N)cc1 20805993 XKQYWWBGDJEJGG-FOKLQQMPSA-N 470.511 2.217 30 10 JEEE Cc1nnc(CSc2nnc(NC(=O)CSc3n[nH]c(N/N=C/c4cccnc4)n3)s2)o1 20832181 VGFFOAUFQRAWGX-NGYBGAFCSA-N 489.572 2.212 30 10 JEEE COC(=O)c1ccc(/C=N/Nc2nnc(SCCC(=O)NCc3ccccc3)n2N)cc1 20914168 YNYCYTVTJLMESQ-ZVHZXABRSA-N 453.528 2.023 30 10 JEEE CCN(CC)S(=O)(=O)c1ccc(NC(=O)CSc2n[nH]c(N/N=C/c3cccnc3)n2)cc1 21038559 VPLJTTKNSINXAL-LPYMAVHISA-N 488.599 2.407 30 10 JEEE CCOCCCN1C(=O)C2=C(/C(=C3\C=CC=CC3=O)NN2)[C@@H]1c1cc(OC)c(OC)c(OC)c1 136869089 OSVHTNAHAHSNOR-ODFZLOHPSA-N 467.522 2.333 30 10 JEEE N#CCCNC(=O)CNc1cc(I)cc(I)c1 690338377 FCCAZVZXXKHVQS-UHFFFAOYSA-N 455.037 2.338 30 10 JEEE CCc1ccccc1-n1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2cnn3ccccc23)c1=O 729669751 CRMUGVISGVGMNK-UHFFFAOYSA-N 471.586 2.384 30 10 JEEE N#CCCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(CCO)CC(=O)O 757401046 MXGWCVFNTCBUKT-JOCHJYFZSA-N 465.506 2.493 30 10 JEEE N#CCCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC(O)(C(=O)O)C1 757451349 XSLIDCGASBZRDQ-OAQYLSRUSA-N 463.490 2.245 30 10 JEEE C=CCN1C(=O)C(=O)N(CC(=O)Oc2ccc(N(C)C(=O)c3ccc(Cl)cc3)cc2)C1=O 1126702155 KYBYVOCWGKLOPH-UHFFFAOYSA-N 455.854 2.499 30 10 JEEE C=CCO[C@@H]1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C(=O)OCC)cc3)CC2)C1 1127506635 FOMUYUSORYLSOA-LJQANCHMSA-N 450.557 2.068 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCN(Cc3ccc(Cl)nc3)CC2)ccc1F 1136800141 NITQJVLVOYBAGF-UHFFFAOYSA-N 452.939 2.296 30 10 JEEE CCOC(=O)c1nc(N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc(C(C)(C)C)n1 1184766283 CTYSFWDGXYOVFG-UHFFFAOYSA-N 457.556 2.333 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCCCN2CCCC[C@@H]2C)CC1 1286491955 BUQLTXRLSFSZHQ-RBBKRZOGSA-N 456.635 2.402 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCc2sc(C)nc2C)CC1 1286493984 YLFNWAYXEJFTDF-UHFFFAOYSA-N 480.642 2.422 30 10 JEEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1286535898 LVMFQPMTLRDZBV-JKSUJKDBSA-N 496.410 2.308 30 10 JEEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCCOc1cccc(S(C)(=O)=O)c1 1286593748 RHVUVBDYUGOFFY-KRWDZBQOSA-N 482.628 2.065 30 10 JEEE C=CCOc1ccccc1Cn1c(-c2cnccn2)nnc1N1CCC(NC(=O)COC)CC1 1286795773 MBVIVSBXZWEMPI-UHFFFAOYSA-N 463.542 2.080 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 1286824170 VTFHOALCMVAWFU-OAQYLSRUSA-N 486.646 2.395 30 10 JEEE CCN(CC)C(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)N(C)C2CC2)CC1 1295335565 BJNDNMLMBZCNQE-HXUWFJFHSA-N 478.645 2.290 30 10 JEEE C#CC[C@H](NC(=O)c1c(I)ccc(Br)c1F)C(=O)OC 1299179060 RUSKBTPSMKWIGK-VIFPVBQESA-N 454.033 2.488 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCSC1(C)C)[C@H]1CCS(=O)(=O)C1 1300479950 VZQFCKZMRNGYNB-SJORKVTESA-N 488.639 2.084 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C(=O)N(CC)CC)cc1 1300579547 WVNKLGAGLOXJPT-JOCHJYFZSA-N 481.622 2.173 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1300868294 CWPGPKMLVGNGFR-ILZDJORESA-N 490.586 2.305 30 10 JEEE C=CCCOCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1301258394 RIOZPDQKJUVGGX-KOSHJBKYSA-N 490.605 2.038 30 10 JEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C(C)(F)F)c1 1301295811 AJEVKJIFURTFDJ-QGZVFWFLSA-N 455.531 2.393 30 10 JEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2ccc(F)cc2F)CC1 1301296719 JOBHJBDSDPDMEI-GOSISDBHSA-N 467.542 2.243 30 10 JEEE C=CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1301433483 RPROFLMMLUAPHX-MRXNPFEDSA-N 460.966 2.431 30 10 JEEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 1301510414 XKONHHCVMUCWAX-LJQANCHMSA-N 465.558 2.450 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H](C(F)(F)F)C1 1301577613 QRSXGZYFXWYXDZ-ZDUSSCGKSA-N 465.885 2.362 30 10 JEEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2ccccc2)C1 1301612385 YEQGHEQAEAELAU-UXHICEINSA-N 493.655 2.108 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N[C@H]2CCc3ncc(Br)n3C2)C1 1312468055 BCLAUJJVYWUROJ-RWMBFGLXSA-N 453.341 2.019 30 10 JEEE N#Cc1ccc(CNC(=O)N2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)nc1 1312809407 BYYLYFVYBVSRLG-UHFFFAOYSA-N 453.446 2.188 30 10 JEEE CCNC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2C[C@H](C)O[C@H](C)C2)CC1 1313989006 HTPHHDQEIBJDHR-VTYHHJSWSA-N 495.628 2.190 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1CCS(=O)(=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1358964976 LKGIOGVCSANSPY-FQEVSTJZSA-N 492.667 2.017 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@@H](C)CN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1358968068 YRXITMVSXYFGGB-PZJWPPBQSA-N 489.617 2.355 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccc(Br)cc2)n1CCNC(=O)C(C)C 1358982240 OZUZKSPFNSNYGO-UHFFFAOYSA-N 458.360 2.465 30 10 JEEE C#CCN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCS(=O)(=O)CC=C 1359015194 LGRGFJQGXHHIMR-CALCHBBNSA-N 451.593 2.109 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@@H]2CCCCS2(=O)=O)CC1 1359031477 DCIZLVMHHVBKHQ-HNNXBMFYSA-N 498.472 2.492 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@@](C)(O)c2cccs2)CC1 1359043302 PPWWBUZWRFOWOD-HSZRJFAPSA-N 450.568 2.275 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCCCN2CCC)CC1 1359164823 ARAUCCWSIYXMPW-WOJBJXKFSA-N 466.652 2.032 30 10 JEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 1359208046 DLKHUHOKGOFGHW-SUMWQHHRSA-N 453.531 2.384 30 10 JEEE C=CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1359217411 YRHODIXGHIRBFN-QZTJIDSGSA-N 475.594 2.109 30 10 JEEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1359222107 YASLJCBGSDQVHC-GOSISDBHSA-N 456.547 2.292 30 10 JEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 1359302250 ADIDFAFOXJCAFC-UHFFFAOYSA-N 453.528 2.407 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCn2cncn2)C1 1359320944 YAWCCSCAFWVXBK-IBGZPJMESA-N 472.594 2.466 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCOc2ncccc2Cl)C1 1359321806 LZAWAGFRTXBNGR-HZPDHXFCSA-N 467.979 2.089 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](Oc2ccccc2)C1 1359326909 MPJRHZKIMUHOSC-HXUWFJFHSA-N 473.599 2.163 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCO[C@@H](C#N)C1 1359328852 PRZJYAOVFOODTC-FQEVSTJZSA-N 483.550 2.447 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)ccc2C)nnc1N1CCC(S(C)(=O)=O)CC1 1359334884 TVDRSVZMMRSEPX-UHFFFAOYSA-N 496.655 2.088 30 10 JEEE CC(C)(C)OC(=O)N(CCn1c(-c2cccc(C#N)c2)nnc1N1CCNC(=O)C1)C1CC1 1359554188 BZXILODKJDHANF-UHFFFAOYSA-N 451.531 2.152 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCNC(=O)C1 1359556959 AIISTHUASYTYLI-GOSISDBHSA-N 451.531 2.152 30 10 JEEE N#Cc1cccc([C@H]2CN(CC(=O)NCC(=O)Nc3ccccc3Br)CCO2)c1 1459889170 HIKWRMNZAYFDQJ-LJQANCHMSA-N 457.328 2.449 30 10 JEEE Cc1ccc(C#N)cc1S(=O)(=O)N1CCN([C@H]2CCCN(Cc3ccccc3)C2=O)CC1 1463697008 FYDXTUGVBWWMFC-QFIPXVFZSA-N 452.580 2.364 30 10 JEEE Cc1ccc(SCc2nnc(N3CCO[C@@H](C#N)C3)n2CC(=O)NCC(F)(F)F)cc1 1492467568 HGIIKYZXYCQBOQ-AWEZNQCLSA-N 454.478 2.286 30 10 JEEE CC[C@H](C)[C@](C)(O)Cn1c(-c2cccn2C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1494894945 BXBUCOASAQVBLA-HOOSLVGPSA-N 463.590 2.457 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCCN(CC)S(C)(=O)=O 1507526438 BUJOGSDXWDNLDS-SFHVURJKSA-N 455.588 2.260 30 10 JEEE C#CCCCn1c(N2C[C@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1507598158 CLPLNVCOPJHQFD-SYVJQLTCSA-N 486.661 2.111 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@@H](c1ccco1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1507633129 BJLYSLNLCHOWMO-RTWAWAEBSA-N 497.621 2.400 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1Cc1c(F)cc(F)c(F)c1F)[C@H]1CCS(=O)(=O)C1 1507636131 ZHRJCTVDEASCDT-ZDUSSCGKSA-N 456.465 2.462 30 10 JEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC[C@@H](OC)C(F)(F)F 1507648463 OCVVSLIYSXBPLR-MRXNPFEDSA-N 468.505 2.278 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cc(Br)ccc2OC)CC1 1507715636 FOUKFKPOLGJRQQ-UHFFFAOYSA-N 487.402 2.089 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1c(C)cccc1C 1507772716 MUMFDIPCMPNHTH-HYBUGGRVSA-N 487.626 2.299 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1COC 1507821305 YMVVHGZDWBMDJM-HXUWFJFHSA-N 463.604 2.208 30 10 JEEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1508047277 DSAAEBSIYQGDNR-HOIFWPIMSA-N 461.588 2.154 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(Cc2ccccc2)C[C@H]1C 1508097557 QZNGXITVKRSNEG-NWSQWKLXSA-N 468.602 2.015 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 1508133297 GZXXGMJNGMBIMG-UHFFFAOYSA-N 478.596 2.487 30 10 JEEE C#Cc1ccc(CNC(=O)CCn2c(=O)oc3cc(S(=O)(=O)N4CCCC4)ccc32)cc1 1533825776 DVMHNAJAJMIKKE-UHFFFAOYSA-N 453.520 2.067 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](c1ccc(C)cc1)N1CCOCC1 1539318591 UJNYVASJNYKLGH-DHIUTWEWSA-N 460.582 2.074 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1CCS(=O)(=O)C1 1539399134 DAWBANOQPFAITJ-HNNXBMFYSA-N 467.389 2.228 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1nc(C)c(C)s1 1539669073 KQXLZYJQLYFRFJ-QGZVFWFLSA-N 468.649 2.329 30 10 JEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1539758726 SIJPZOGYYYEMCM-UHFFFAOYSA-N 467.549 2.331 30 10 JEEE C=C(Cl)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1539787342 MVYKMBHFPZTYLM-UHFFFAOYSA-N 460.922 2.235 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1NC(=O)CC1(C)C 1540146313 CVVCHCSPBQFJMP-DOTOQJQBSA-N 463.629 2.349 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(NC(C)=O)nc2)C1 1540883384 ZCXGEMOAXGPODC-GOSISDBHSA-N 462.514 2.108 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C)C(=O)[C@@H]1C 1540897686 PMNMHOGTQOCGAM-RBUKOAKNSA-N 475.615 2.303 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](Cc2ccc(F)cc2)C1 1540898001 XSICKMZNEKRMMB-SFHVURJKSA-N 463.579 2.225 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC=C(C)C1 1540898499 MIPIZBDNHTZPNG-UHFFFAOYSA-N 450.586 2.106 30 10 JEEE C=C(C)C[C@@H](NC(C)=O)C(=O)NC1CCN(C(=O)CCCN(C)C(=O)OC(C)(C)C)CC1 1557682697 PXGGMAMTMQZMJD-LJQANCHMSA-N 452.596 2.212 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN2CCCCCC2)c1 1587693951 YAPWVXLCMYIRBO-NRFANRHFSA-N 498.653 2.112 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CCN1CCOC(C)(C)C1 1589483200 NHRTWOAMGQJAJL-FPOVZHCZSA-N 483.617 2.454 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(N2CCN(c3ccc(C(N)=O)cn3)CC2)nnc1C(C)(C)C 1589578063 FLUSVYHCFNSTEX-UYAOXDASSA-N 453.591 2.377 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](Oc2ccccc2Cl)C1 1593636632 OZLUQNMSZSKWKU-APWZRJJASA-N 482.006 2.498 30 10 JEEE C=C1CCN(c2nnc(COc3ccccc3OCC)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1594134737 VAVOOPZQIZXSSS-KRWDZBQOSA-N 454.531 2.400 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCCN(C(=O)c2cccc(Cl)c2)CC1 1595530262 YYGPJCNXTCDIIV-UHFFFAOYSA-N 480.960 2.043 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCC(CC(=O)N(C)C)CC1 1595778065 VJDWBWUVQLSOTF-UHFFFAOYSA-N 463.579 2.380 30 10 JEEE CC(C)NS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1610313160 GMXURLNFZXMGRO-CTNGQTDRSA-N 488.614 2.062 30 10 JEEE C=CCn1c(O)nnc1SCC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCCCC2)c1 1613634613 ZKNAPHNLEJEZJB-UHFFFAOYSA-N 451.574 2.384 30 10 JEEE COc1cc(Cl)ccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1CC1(S(C)(=O)=O)CCC1 1619113282 FSCXMTDHYVLBPI-HNNXBMFYSA-N 465.963 2.303 30 10 JEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC[C@@](O)(/C=C\OCC)C(F)(F)F)cc1 1622886460 GOGSJCGMIAVLEO-LUJNMSEFSA-N 451.467 2.458 30 10 JEEE CC(C)(C)OC(=O)N1CCC(OCC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC1 1638202733 DADORVONIXDWFD-RDJZCZTQSA-N 452.552 2.278 30 10 JEEE COC(=O)c1cc(F)ccc1S(=O)(=O)N1C[C@H](NC(=O)C(F)(F)F)CC[C@H]1C(F)(F)F 1665189206 IDJWFFNFHKZVPV-SKDRFNHKSA-N 480.358 2.375 30 10 JEEE C#CCn1ccc(CN(CCOC)C(=O)NC[C@@H](c2ccc(Cl)cc2)N2CCOCC2)n1 1677844021 ZSFKVXNGJUACPZ-QFIPXVFZSA-N 459.978 2.401 30 10 JEEE C=C[C@@H]1OCC[C@H]1NC(=O)N1CCCN(S(=O)(=O)c2ccc(Br)s2)CC1 1682616939 DMLGVTPTCSVJAC-OLZOCXBDSA-N 464.407 2.260 30 10 JEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2ccc(F)c(F)c2)C1 1689929711 CMBRQLUSTPIVLS-VQIMIIECSA-N 450.511 2.450 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1Cc1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 1689978146 NRNVWOKAUGKNHS-FQEVSTJZSA-N 457.600 2.180 30 10 JEEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1CCCc1cnn(C)n1)[C@H]1CCS(=O)(=O)C1 1689979520 CPLIOLKUNIKXEL-FCHUYYIVSA-N 481.626 2.208 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CCC1CCN(CC)CC1)[C@@H]1CCS(=O)(=O)C1 1689993985 OSKIUKBIYAVHOS-JOCHJYFZSA-N 470.643 2.013 30 10 JEEE C#CCN(c1nnc(COc2ccccc2OC)n1C[C@@H]1CCC[C@H](O)C1)[C@H]1CCS(=O)(=O)C1 1689996741 NLJHAQFJVIUFLA-AABGKKOBSA-N 488.610 2.044 30 10 JEEE C#CCN(c1nnc(COCC)n1CCc1ccn(-c2ccc(F)cc2)n1)[C@H]1CCS(=O)(=O)C1 1689996995 TUIVLASQKBABAT-NRFANRHFSA-N 486.573 2.009 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2Cc2c(CC)nn(C)c2OC)CC1 1690139807 ANYIKEDKKQMUSC-UHFFFAOYSA-N 461.570 2.264 30 10 JEEE C=CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1690473716 FDYRTHGQQNOGCX-UHFFFAOYSA-N 465.576 2.019 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2cccc(OCC(=O)N(C)C)c2)C1 1690700139 OCXNYNVSYJCFAX-IRLDBZIGSA-N 469.586 2.469 30 10 JEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1690744563 POQZGFPQKSLBTO-QZTJIDSGSA-N 465.649 2.149 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCC(=O)Nc1ccccc1 1692780207 CEYGXNMUTRVOJV-HRAATJIYSA-N 459.576 2.047 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CCc1ccc(O)cc1 1705533236 WBSMZVGQMWEBLX-NQIIRXRSSA-N 475.615 2.188 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCOc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1705565253 HOWMWWGORMWZFI-GHTZIAJQSA-N 474.583 2.234 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1csc([C@@H](C)OC)n1)[C@@H]1CCS(=O)(=O)C1 1705566470 OOHKNGYALTUCAG-GDBMZVCRSA-N 460.585 2.112 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCO[C@@H](C)C1 1705591036 DHBPOODKFLRTJN-PMACEKPBSA-N 469.611 2.473 30 10 JEEE C#CCN(CC)c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1705615930 NEOWVQVLPMDVBY-PKOBYXMFSA-N 462.645 2.298 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@H]2CCCCN2CC)CC1 1705643036 QKRZXKPLTPKYSU-OAQYLSRUSA-N 452.603 2.495 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CCN(C)CC(F)(F)F)CC1 1705647779 LKQLSMPASAOJRG-UHFFFAOYSA-N 463.508 2.108 30 10 JEEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1705657748 PPAJTIOICSVBHA-UHFFFAOYSA-N 484.651 2.302 30 10 JEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 1705829915 FYLHLUMISHTJCN-NRFANRHFSA-N 493.674 2.248 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC2CC2)n1CC1(O)CCS(=O)(=O)CC1 1705858149 QGVJFJMSCBEJKF-UHFFFAOYSA-N 460.600 2.372 30 10 JEEE C=CCN(CCOC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1Cc1nnc2n1CCC2 1705881725 YZTAKDCXDKKKSD-UHFFFAOYSA-N 450.547 2.372 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 1705899207 LAWYHPVGBGVDQY-UHFFFAOYSA-N 475.578 2.451 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1705933120 UZJDWMKCYXMSMC-INIZCTEOSA-N 461.563 2.180 30 10 JEEE CC(C)NC(=O)CCn1c([C@H]2CCOC2)nnc1N1CCCN(c2ccccc2C#N)CC1 1706635178 HNIGMOZNFZSMPZ-FQEVSTJZSA-N 451.575 2.285 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC2(OC)CCC2)c1 1722310733 ZTLFQESXEOYXLJ-IBGZPJMESA-N 485.610 2.196 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1ccc(C)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1722367299 VJWQEPZJBAIMEQ-NRFANRHFSA-N 465.579 2.256 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1Cc1cnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1722370873 RGVFYHVSZOODIH-MRXNPFEDSA-N 475.571 2.436 30 10 JEEE C#CCSCCn1c(C(C)C)nnc1N1CCN(CC(=O)N2CCc3ccccc32)CC1 1722451561 LLDAQKFXNBHGHQ-UHFFFAOYSA-N 452.628 2.479 30 10 JEEE C#CCSCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1722452865 TUCWNFJOQWAEHG-IBGZPJMESA-N 480.619 2.328 30 10 JEEE C=C(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCc2nn(C)c(=O)cc2C1 1722519645 MKCLKKSQRJUHRC-UHFFFAOYSA-N 452.515 2.203 30 10 JEEE C=C(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1722519839 NWRVJPIADWQPGE-GOSISDBHSA-N 470.549 2.404 30 10 JEEE C=C1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1722565791 BQQWZMLNIXCBCP-HSZRJFAPSA-N 495.646 2.099 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 1722682063 XBKWFZGTXVFAFH-IBGZPJMESA-N 495.646 2.386 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1722695333 ZZNGORKJFBULCZ-HZPDHXFCSA-N 456.572 2.053 30 10 JEEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCSCC1 1722698348 DSFRHXMYTCCVME-UHFFFAOYSA-N 450.609 2.248 30 10 JEEE C=CCNC(=O)Cn1c(N2CCN([C@@H](C)c3ccsc3)CC2)nnc1[C@@]1(OCC)CCOC1 1722704688 WQAUJLBNPMJOPY-FDDCHVKYSA-N 474.631 2.177 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCO[C@@H](C(C)C)C1 1722728248 UDMKRUDYQHJZNC-GOSISDBHSA-N 472.571 2.056 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC(C)(C)OC 1727222158 BZZBCSJKAFYWSI-UHFFFAOYSA-N 454.579 2.215 30 10 JEEE CCNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@](C)(O)[C@@H](C)CC)CC1 1728676246 CNDQKEDIWLMJHY-MHECFPHRSA-N 469.590 2.377 30 10 JEEE COC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1)OC 1730465831 AXCWPKDQNQLWFH-REWPJTCUSA-N 495.628 2.001 30 10 JEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](c2ccccc2)C1 1740573323 BBQXTNTUEMOGJT-LEWJYISDSA-N 457.600 2.408 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@@H]1CCO[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1740618785 CDNRKHUYUWQDDE-NLWGTHIKSA-N 458.584 2.396 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC(C)(C)COC)[C@@H]1CCS(=O)(=O)C1 1740620322 VMIFJQVZIWLQOQ-GOSISDBHSA-N 461.544 2.153 30 10 JEEE C#CCN(c1nnc(COc2ccccc2OC)n1Cc1oc(CC)nc1C)[C@@H]1CCS(=O)(=O)C1 1740628279 OVTBJTHUBSCDQX-GOSISDBHSA-N 499.593 2.400 30 10 JEEE C#CCN(CC)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@]1(O)CCS(=O)(=O)C1 1740664920 ISWPRXNXZNXKOG-HSZRJFAPSA-N 470.551 2.126 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2CCN2CCOC(C)(C)C2)CC1 1740704576 SYBPKPNTIFTNCJ-UHFFFAOYSA-N 464.614 2.330 30 10 JEEE C#CCSCCn1c(-c2ccccc2OC)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1740715302 VOEMMSSNZWUYPJ-UHFFFAOYSA-N 477.594 2.141 30 10 JEEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1740750927 VSRPFBLEEUWRTO-HRCADAONSA-N 456.385 2.406 30 10 JEEE C=CCn1c(-c2ccccc2Br)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1740945498 SNSVVXGYWLOSTK-UHFFFAOYSA-N 461.364 2.468 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1740989407 MEMCZKVURKHBDW-PZJWPPBQSA-N 459.616 2.011 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCC(=O)N1CCCCCC1 1748663855 ALENDBXRHTYTCL-SFHVURJKSA-N 471.631 2.489 30 10 JEEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H](CN2CCOCC2)C1 1748703638 VIUFZTISWQTVAM-HXUWFJFHSA-N 471.627 2.311 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCc2cc(C)ccc2OC)CC1 1749015435 VZAKKAAUHMDQNY-OAQYLSRUSA-N 451.571 2.308 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1749039568 WSQPHDVMLXNTRH-FGTMMUONSA-N 497.687 2.286 30 10 JEEE C=C(Br)Cn1c(N2CCN(C(=O)OC)CC2)nnc1[C@]1(OC(C)C)CCOC1 1749113285 XFCQTMZLBZLKQN-SFHVURJKSA-N 458.357 2.116 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccc(F)c1 1749159064 NZXPJIZWWBMEAD-IBGZPJMESA-N 451.568 2.395 30 10 JEEE C=CCC(C)(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1749352404 OQJOOEOLLURBBV-QGZVFWFLSA-N 459.595 2.272 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1749681073 WLAOKQOTJJLUCM-FQEVSTJZSA-N 476.585 2.363 30 10 JEEE CC(C)C(=O)NC[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCS(C)(=O)=O)C1 1750557437 FHLLEYSRGNUZGK-IBGZPJMESA-N 472.615 2.240 30 10 JEEE C[C@H]1CCCN(CCn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@](C)(C(N)=O)C2)C1 1752182214 CFAHBOYHIXNHLR-MHECFPHRSA-N 451.575 2.162 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1nc2cc(OC)ccc2n1C)[C@H]1CCS(=O)(=O)C1 1760182498 JQCZSSHUCFBSDC-INIZCTEOSA-N 470.599 2.146 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1ccncc1Cl)[C@H]1CCS(=O)(=O)C1 1760190521 XIMFSYPVCYJEMH-KRWDZBQOSA-N 456.959 2.372 30 10 JEEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CC(C)(C)NC(=O)OC(C)(C)C)CC1 1760262054 HLWQXGPCTVMJSH-UHFFFAOYSA-N 453.591 2.322 30 10 JEEE C#CCN1CCN(c2nnc(CSc3ccccc3OC)n2CCN2CCOC(C)(C)C2)CC1 1760263767 OAHQYZHVPXJXJT-UHFFFAOYSA-N 484.670 2.445 30 10 JEEE C=CCCOCCn1c(-c2ccc[nH]2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1760448954 VQSZKDSTOSLKFJ-UGKGYDQZSA-N 455.607 2.245 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N(C)Cc1ccccc1[N+](=O)[O-] 1760525427 FVCISPQIGCDAEY-UHFFFAOYSA-N 460.498 2.363 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCN2CCOC[C@@H]2C)C1 1760538300 XXYQEPBEEBZMSG-ICSRJNTNSA-N 457.575 2.464 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@@H](COC)C1 1760551706 PBMBGDUNPKHGIC-OAHLLOKOSA-N 458.943 2.190 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2c[nH]c3ccccc23)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1760556827 REKUEPFKWAQFMZ-IEBWSBKVSA-N 473.599 2.191 30 10 JEEE CN(C)C(=O)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)c2ccco2)CC1 1766859120 CCTIWPLZVSUUFS-UHFFFAOYSA-N 491.552 2.153 30 10 JEEE CCOc1cc(C)c(S(=O)(=O)N[C@H]2CCN(S(=O)(=O)c3ccccc3C#N)C2)cc1C 1858334442 HTVRLJLQOJKDSE-SFHVURJKSA-N 463.581 2.315 30 10 JEEE C=CCNC(=O)[C@H](Cc1ccc(OC(C)=O)cc1)NC(=O)CCCN1C(=O)c2ccccc2C1=O 1861780629 DSMHFEVVMTXFIT-QFIPXVFZSA-N 477.517 2.018 30 10 JEEE O=C(O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CCCN2CCOCC2)cc1 1862628867 ILZDBQXSZWWPBD-QFIPXVFZSA-N 494.500 2.414 30 10 JEEE C=CCOc1ccccc1[C@H]1C(C(=O)N[C@H](C)c2ccccc2)=C(N)Oc2c1c(=O)n(C)c(=O)n2C 1865726088 IYJQENZQEANBIT-UZLBHIALSA-N 488.544 2.221 30 10 JEEE CCOC(=O)c1ccc(NC(=O)[C@@H](CO)NC(=O)C2CCN([C@H](C#N)c3cccs3)CC2)cc1 1866867763 RDLLYVITBPHBPY-WOJBJXKFSA-N 484.578 2.317 30 10 JEEE CC(=O)Nc1ccc(C)c(-n2nnc(C#N)c2NC(=O)CCN2C(=O)c3ccccc3C2=O)c1 1870144190 RMXOJOVHXQVCNQ-UHFFFAOYSA-N 457.450 2.031 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)N[C@@H](C)CC)cn1CCCN1CCCC1=O 1870522346 ZFLYDUGRNYHIOM-FQEVSTJZSA-N 458.603 2.328 30 10 JEEE C=CCn1cc(OCC(=O)OCc2ccccc2)c(=O)cc1CN1CCN(c2ncccn2)CC1 1870617416 MOIGISDLHYYQMR-UHFFFAOYSA-N 475.549 2.269 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](NS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2247880515 GNBNHWOZHMCJKZ-BETUJISGSA-N 458.411 2.381 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@H](NC(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2255879267 MMFMTFABFYAFHH-HUUCEWRRSA-N 452.382 2.147 30 10 JEEE COC[C@H](ONC(=O)OC(C)(C)C)C(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)cs1 2256615585 VIHNSIXXCKMCIW-HNNXBMFYSA-N 456.370 2.135 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](C(=O)NCc1sccc1B1OC(C)(C)C(C)(C)O1)C(C)(C)O 2256673311 RVAWQVCGCDVBMF-HNNXBMFYSA-N 454.398 2.328 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)C[C@H]1CCO 2267285354 GVQCCESHUUZVRC-OAHLLOKOSA-N 450.341 2.023 30 10 JEEE CC(C)(C)OC(=O)NCC=CCNS(=O)(=O)Cc1ccccc1B1OC(C)(C)C(C)(C)O1 2267463455 AIVXSJFMJYWSIU-UHFFFAOYSA-N 466.409 2.486 30 10 JEEE CC(C)(C)OC(=O)NC1(CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)CCOCC1 2267551292 KORKUPGFTIMPOU-UHFFFAOYSA-N 450.341 2.383 30 10 JEEE CC1(C)OB(c2csc(S(=O)(=O)N3CCC[C@H](NC(=O)C(F)(F)F)CC3)c2)OC1(C)C 2270598130 IQTPAZYEPAUXHV-ZDUSSCGKSA-N 482.355 2.269 30 10 JEEE Cc1c(C(=O)N2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281803564 ZBYFGHSBYYEXKS-HOTGVXAUSA-N 460.384 2.109 30 10 JEEE Cn1cc(C(=O)N[C@H]2C[C@@H]3CC[C@H](C2)N3C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2281958911 JMWTZANPDOFHEZ-PHZGNYQRSA-N 460.384 2.380 30 10 JEEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@H](F)[C@H](NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C2 2281978122 YKQXAQUCTBOWKH-DRPJVOAASA-N 464.347 2.317 30 10 JEEE Cc1nc(C(=O)NCCN2CCN(C(=O)OC(C)(C)C)CC2)c(B2OC(C)(C)C(C)(C)O2)s1 2282019804 QPPZWYQIXUGSCQ-UHFFFAOYSA-N 480.440 2.033 30 10 JEEE Cc1c(C(=O)N[C@@]23CC[C@H]2CN(C(=O)OC(C)(C)C)C3)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282058993 CDKXUSAXBZTFBM-NPMXOYFQSA-N 460.384 2.157 30 10 JEEE COCCN(CCNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1F)C(=O)OC(C)(C)C 2282534264 SGVZMAMOODAETR-UHFFFAOYSA-N 467.347 2.133 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCc1ccc(NC(=O)OC(C)(C)C)nc1 2282536561 DUQBGERNVGNFCY-UHFFFAOYSA-N 457.340 2.391 30 10 JEEE Cc1c(C(=O)N2CCN(C(=O)OC(C)(C)C)CC[C@@H]2C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282592464 DCHKGWKRZYANKJ-HNNXBMFYSA-N 462.400 2.499 30 10 JEEE Cc1cccc(C(=O)N2C[C@@H](NC(=O)OC(C)(C)C)C[C@@H](O)C2)c1B1OC(C)(C)C(C)(C)O1 2282643581 CLLAARRILVGAKW-DLBZAZTESA-N 460.380 2.394 30 10 JEEE COC(=O)[C@H](CC(=O)N(C)Cc1ccc(B2OC(C)(C)C(C)(C)O2)s1)NC(=O)OC(C)(C)C 2283927089 WPPRJZKDBVMSST-HNNXBMFYSA-N 482.408 2.462 30 10 JEEE Cn1cc([C@H](NC(=O)OC(C)(C)C)C(=O)NCc2cc(B3OC(C)(C)C(C)(C)O3)cs2)nn1 2283967357 BVHWJZQODBOXKE-INIZCTEOSA-N 477.396 2.058 30 10 JEEE COc1ccc(NC(=O)C2(CNC(=O)OC(C)(C)C)COC2)c(B2OC(C)(C)C(C)(C)O2)c1 2284037763 DSUOUPFECICCNY-UHFFFAOYSA-N 462.352 2.474 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2C[C@H]3CC[C@@](C(=O)O)(C2)N3C(=O)OC(C)(C)C)C1 2287342741 FSUFDFHUIXPXCE-DSLGRUEFSA-N 477.558 2.358 30 10 JEEE Cc1ccc(CNC(=O)C2(CO)CN(C(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2296185038 YFMBISZXFDWFMG-UHFFFAOYSA-N 460.380 2.140 30 10 JEEE Cc1c(C(=O)N2C[C@@H]3CC[C@H]2[C@@H]3NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2359279069 PKTJSEYIJMCPKL-YQQAZPJKSA-N 460.384 2.155 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC(F)(F)[C@](C)(NC(=O)OC(C)(C)C)C2)n1 2361916291 PTAVXPULJVZHLY-HXUWFJFHSA-N 470.326 2.094 30 10 JEEE NS(=O)(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2ccncc2)cc1 170358917 HLSKHSFBWGGYBV-NRFANRHFSA-N 493.497 2.283 30 10 JEEE COC(=O)c1ccc(NC(=O)CSc2nnc(N/N=C/c3ccc(OC)c(O)c3)[nH]2)cc1 253570343 NLWFXBGBSIGVSG-UFFVCSGVSA-N 456.484 2.482 30 10 JEEE Cc1nn(-c2ccccc2)c(N2CCOCC2)c1/C=N/Nc1nnc(SCCC(=O)N(C)C)[nH]1 253573755 RUFSJKBWAPUJRP-HZHRSRAPSA-N 483.602 2.152 30 10 JEEE COC[C@@H](C)N=c1scc(-c2ccc(O)c(C(N)=O)c2)n1N=Cc1cnn2ccccc12 729631091 JAWOGJDCLBSPLL-CQSZACIVSA-N 450.524 2.487 30 10 JEEE CC#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@](C)(O)C(=O)O 757206041 DDPSSWMURVWFFM-OFVILXPXSA-N 450.491 2.259 30 10 JEEE COc1cccc([C@@H](CNC(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)N2CCCC2)c1 1223536353 FMKBZNGFJOIHOE-JOCHJYFZSA-N 451.575 2.278 30 10 JEEE C#CCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1286344369 AHCQXZITAOKTPT-UHFFFAOYSA-N 458.526 2.287 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H](C)Oc1ccccc1F)[C@H]1CCS(=O)(=O)C1 1286390908 AOLRUOKBKITNAR-QUCCMNQESA-N 483.569 2.497 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H](c1ccc(C)cc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1286395590 RXQSZKFZFFTWAO-YPAWHYETSA-N 471.627 2.020 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCN1C[C@@H](C)O[C@H](C)C1 1286425911 BURYEYUIZHPCDX-NHCUHLMSSA-N 487.608 2.154 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(NC(=O)NC(C)C)cc1 1286431612 QAKKWNGOFCOVAP-HXUWFJFHSA-N 482.610 2.221 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CC(=O)NCC(F)F)CC1 1286483833 AEHJDEZRTZNURD-UHFFFAOYSA-N 487.338 2.300 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H]2CCCO2)CC1 1286495476 WZGVDLDCXYKTND-ZCNNSNEGSA-N 486.617 2.194 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1286496286 PKEAPBPCDBYBNG-INIZCTEOSA-N 457.560 2.007 30 10 JEEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1286529880 AQOZZEKJZIPBSV-UHFFFAOYSA-N 481.317 2.220 30 10 JEEE C=CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(S(C)(=O)=O)CC1 1286682919 YBZDWRUPERNWOL-UHFFFAOYSA-N 456.576 2.291 30 10 JEEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)Cc1ccccc1OC 1286788560 YRIFOIGKORILOX-UHFFFAOYSA-N 476.585 2.399 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(CC)cc3)n2CC2(O)CCS(=O)(=O)CC2)C1 1286802194 PXCWILUEGMKGDE-HXUWFJFHSA-N 460.600 2.229 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCc2ccn(C)n2)C1 1286803126 YAJAAMDQZVHACG-IBGZPJMESA-N 456.572 2.106 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H]2CCC(=O)N2)C1 1286810290 PGVFOZOFGYTSSE-IPMKNSEASA-N 474.606 2.453 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](CC)c2ccccc2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1286818337 VXXKLSYTJVXXIW-GHTZIAJQSA-N 459.616 2.478 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1Cc1ccc(C#N)o1)[C@@H]1CCS(=O)(=O)C1 1300489118 IYGOUMRWZWHFCG-QGZVFWFLSA-N 481.534 2.102 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@](C)(OC)C2CC2)CC1 1300699711 GLJQSBATALOHKG-CPJSRVTESA-N 488.633 2.157 30 10 JEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCN2C[C@@H](C)C[C@H](C)C2)CC1 1300708530 TUNLBJSTKCRNFV-SFTDATJTSA-N 452.651 2.263 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCCC(=O)N(C)C)CC1 1300718178 DNAPYBKJSNCWSV-UHFFFAOYSA-N 487.004 2.441 30 10 JEEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1300843834 GXDPTCFKHOUIMY-CYBMUJFWSA-N 465.312 2.084 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(CO)CC1 1300867956 ALGYIGUQYWYAMT-IRLDBZIGSA-N 489.642 2.385 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(OC(C)C)CC1 1300876431 SRGVLAPNEUOQOV-SCTDSRPQSA-N 455.625 2.263 30 10 JEEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(NS(C)(=O)=O)CC1 1301137103 KCZPUNITWRTGGG-UHFFFAOYSA-N 461.592 2.046 30 10 JEEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1CC1(O)CCS(=O)(=O)CC1 1301278312 KWUHHSFANQBXKK-UHFFFAOYSA-N 461.407 2.331 30 10 JEEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1301459057 PAIHSPOFIUTNOK-QGZVFWFLSA-N 468.624 2.097 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCC(C#N)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1301596756 XQYLZCFUMUISBK-HDICACEKSA-N 478.619 2.390 30 10 JEEE CCCN(CC)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1306802055 FBLJUNAXOAGCNN-UHFFFAOYSA-N 487.612 2.369 30 10 JEEE CS(=O)(=O)c1cccc(-c2nnc(N3CCC(C#N)CC3)n2C[C@@H]2CCCCS2(=O)=O)c1 1316335085 GQFHZOYINRIELL-IBGZPJMESA-N 477.612 2.056 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1Cc1cc(C)nn1C)[C@H]1CCS(=O)(=O)C1 1358957968 DXURXSXURBTVQI-KRWDZBQOSA-N 489.001 2.324 30 10 JEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CC1(O)CC(OCC)C1)[C@@H]1CCS(=O)(=O)C1 1358958980 ZMCKYMPEBJNGOD-FLPIEVNYSA-N 479.002 2.155 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1CC1(N2CCOCC2)CCCCC1 1358968701 VMBSINNMNZJVIN-UHFFFAOYSA-N 454.619 2.304 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cc(Br)cn2C)nnc1N1CCS(=O)(=O)CC1 1359092541 BWPAXWVAIJNYDG-WMLDXEAASA-N 484.420 2.262 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCO[C@H](c2nccs2)C1 1359291017 BBTQSEINVBMVLB-SFHVURJKSA-N 481.582 2.484 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CCC[C@H](NC(C)=O)C1 1359297376 OKCLAZJBQKDQQL-HNNXBMFYSA-N 461.364 2.115 30 10 JEEE C=CC[C@H]1CCN(CC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC(C)C)C1 1460509715 CMTPBXPHXTVBKU-SFHVURJKSA-N 451.589 2.331 30 10 JEEE N#Cc1ccc(O[C@H]2CCN(C(=O)CNS(=O)(=O)c3ccc(Cl)c(Cl)c3)C2)nc1 1468538092 FYQZKRDLPSPCHN-ZDUSSCGKSA-N 455.323 2.218 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCCN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1507626773 HHPDFRPUQOPXBL-LJQANCHMSA-N 477.034 2.496 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H](C)N1CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1507629952 RONRQHKTHVLWFF-SVFBPWRDSA-N 456.616 2.087 30 10 JEEE C#CCN(c1nnc(-c2cn(C)c3ccccc23)n1CCC(=O)N[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1507631732 SNKDNPXWOQREJZ-MOPGFXCFSA-N 496.637 2.368 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCN1CCCC[C@@H]1CC)[C@@H]1CCS(=O)(=O)C1 1507633035 RFANYNVMYRDSEU-HBMCJLEFSA-N 463.648 2.411 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccc(C)cc2OC)CC1 1507718978 IVZLRKSFPDDIHW-RUZDIDTESA-N 453.587 2.439 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@@H](c2cccc(F)c2)N(C)C)CC1 1507741680 YMZBITFEDTUZON-NRFANRHFSA-N 456.566 2.222 30 10 JEEE C=C(C)COCCn1c(-c2ccc[nH]2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1507843258 VFKWHOHLMCOMET-UHFFFAOYSA-N 455.607 2.391 30 10 JEEE C=CCn1c(-c2cc(F)ccc2Br)nnc1N1CCN(CC(=O)NC2CC2)CC1 1508049831 IJPYYSICQJLJSW-UHFFFAOYSA-N 463.355 2.433 30 10 JEEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1508090298 GUIQNLHSQVFHCS-UNMCSNQZSA-N 468.602 2.015 30 10 JEEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2oc(CC)nc2C)C1 1516021643 AOOBYYSYYKGXKS-GOSISDBHSA-N 469.571 2.242 30 10 JEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(=O)c2cccc(C)c2)CC1 1539126554 YDVVIMPVRJPZSX-OAQYLSRUSA-N 469.611 2.255 30 10 JEEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1539154899 MDPNOIIFIUUQTE-DOTOQJQBSA-N 495.447 2.320 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1CCNC(=O)c1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 1539201615 AVZWEGHLSSFOOK-QUCCMNQESA-N 457.600 2.157 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccc(OC)cc1C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1539223056 ZBEZUYUXDLCGQK-IAGOWNOFSA-N 498.527 2.484 30 10 JEEE C#CCN(c1nnc(CCCc2ccccc2)n1CCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1539229637 FSKNYIBQKSGUBR-QFIPXVFZSA-N 455.628 2.176 30 10 JEEE C#CCN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCN1CCN(C(C)=O)CC1 1539368670 ASILZXFPXDZJAD-UHFFFAOYSA-N 487.649 2.016 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@H]2CC[C@H](F)C2)CC1 1539451863 CJZWHGCSKXPGSO-AABGKKOBSA-N 476.597 2.480 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2CC2(O)CCCC2)CC1 1539483507 ZOTKAWUIZMQJCO-UHFFFAOYSA-N 451.571 2.148 30 10 JEEE C#CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1539518331 YBWWFNITFBBKKC-HXUWFJFHSA-N 482.658 2.123 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccn(Cc2ccccc2)n1 1539538809 NPSGEOIXAMAGKD-FDDCHVKYSA-N 467.599 2.174 30 10 JEEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](F)[C@@H](c2ccccc2)C1 1539730600 QMSCGWKGXPUPMR-BHIYHBOVSA-N 451.568 2.423 30 10 JEEE C=C(C)COCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2cnn(C)c2)CC1 1539758268 FNHULBWUWDGOPX-UHFFFAOYSA-N 462.558 2.382 30 10 JEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](c2ccccc2)N2CCOCC2)CC1 1539873773 DDPWBJQKZRSELS-SIKLNZKXSA-N 488.658 2.364 30 10 JEEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1539952850 KTMNENGYYMDTCW-JKSUJKDBSA-N 456.613 2.348 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(N(C)C(=O)OCC)CC1 1540874689 OKUMUOCZFYOQKK-UHFFFAOYSA-N 481.557 2.088 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(C(=O)NC)CC1 1540897366 HOTYPZKEAFCOBO-INIZCTEOSA-N 497.021 2.134 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@H](CCOC)C1 1540900452 WASGKFAZVHVXAO-QGZVFWFLSA-N 462.572 2.180 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCC(Oc2ncccc2F)CC1 1540903924 HLJMNCZEUCSWKD-UHFFFAOYSA-N 486.573 2.447 30 10 JEEE Cc1nn(C)c(N2CCN(c3nnc(C(C)(C)C)n3C[C@H]3CN(CC(C)C)CCO3)CC2)c1C#N 1543001118 CWTAYJDPGSZWAY-HXUWFJFHSA-N 483.665 2.173 30 10 JEEE COCCNC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1c1ccc(C#N)c(C(F)(F)F)c1 1548367842 RADILHHQUGQNTA-FQEVSTJZSA-N 496.511 2.219 30 10 JEEE CNC(=O)[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CCN1S(=O)(=O)c1ccc(OC)cc1 1548369212 MPYUWNVEJIMEAN-IBGZPJMESA-N 482.484 2.211 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCCc1ccc(OCCN2CCN(C(C)=O)CC2)cc1 1563911268 YZXHMOYBIZCFIP-VWNXMTODSA-N 458.603 2.052 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCNS(=O)(=O)c1ccc(C)s1 1587627038 PWXSQEMGVAQJFU-CQSZACIVSA-N 497.606 2.400 30 10 JEEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1CCNC(=O)c1ccco1)[C@@H]1CCS(=O)(=O)C1 1588034419 FSXXBYFKWFQNNC-NHCUHLMSSA-N 495.605 2.470 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CC1(COC)CCC1)[C@H]1CCS(=O)(=O)C1 1588069281 KXWILBIJRSKUGH-IBGZPJMESA-N 476.574 2.440 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCCO[C@H]1C(C)C)[C@H]1CCS(=O)(=O)C1 1588074857 UCJCJSVXMYTUIX-YFNVTMOMSA-N 494.658 2.080 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCCN1CCC(O)CC1 1588214260 OARQTBLJINPSGX-UHFFFAOYSA-N 457.582 2.441 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCCN2CCC(O)CC2)CC1 1588871538 HHLNFJWUKPCBIK-UHFFFAOYSA-N 473.021 2.113 30 10 JEEE C=CC[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)NC(C)C)CC1)c1ccccc1 1594544856 NKMCXLWXFMHGEW-YADHBBJMSA-N 479.629 2.236 30 10 JEEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)Cc1ccc(OC)cc1 1595489289 DZKZDRZTFXIDJE-UHFFFAOYSA-N 497.625 2.494 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1595759568 GIKVFNYGLVWLNN-WOJBJXKFSA-N 480.656 2.434 30 10 JEEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccccc2CN2CCN(C(C)=O)CC2)cc1 1633152420 DIXMIISJBIIVEV-UHFFFAOYSA-N 456.568 2.067 30 10 JEEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N2CC(CO)(CO)C2)c1 1645107271 HJGRTTPKNFFCDM-UHFFFAOYSA-N 450.944 2.148 30 10 JEEE C#CCN(C(=O)Nc1cccc(OCCNC(=O)OC(C)(C)C)c1)[C@@H]1CCS(=O)(=O)C1 1659013522 BVABWAZQKDVDIL-QGZVFWFLSA-N 451.545 2.244 30 10 JEEE CCN(C[C@H](C)C#N)S(=O)(=O)N1CCN(C(=O)[C@H](C)Oc2ccc(C)cc2Cl)CC1 1661763836 CVXMFLXIYINXQA-SJORKVTESA-N 456.996 2.286 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccccc1C(F)(F)F 1689853589 WEKGVBFIOXVGCK-QAPCUYQASA-N 485.532 2.330 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(COC)CCOCC1 1690037268 SEIHXMYDEFCUPT-UHFFFAOYSA-N 499.637 2.102 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCS(=O)(=O)CC=C 1690056060 DILMPVMJQXEQMM-KDURUIRLSA-N 475.615 2.113 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1c(CC)nn(C)c1OC 1690063566 IAGXSSQUJBXMDL-UHFFFAOYSA-N 485.614 2.008 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3)n2CCS(=O)(=O)CC2CC2)CC1 1690115418 FSWNMVFWIYYTPU-UHFFFAOYSA-N 492.443 2.288 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCCCN2CCCC)CC1 1690135053 OYHPKOHHOMWMFR-QFIPXVFZSA-N 483.661 2.135 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CC2CCN(C(=O)OC)CC2)CC1 1690146697 UPAJUEKFVCLYFI-UHFFFAOYSA-N 458.607 2.311 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cn(C)c3ccccc23)nnc1N(C)CCNS(C)(=O)=O 1690242945 FKIPEXAPAYUZEF-LAUBAEHRSA-N 472.615 2.403 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCOc2ccc(Cl)cc2)CC1 1690375907 WVGQDRHFKSCNBW-LJQANCHMSA-N 482.006 2.500 30 10 JEEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1690451820 QNAALHSNODOTLO-FQEVSTJZSA-N 452.607 2.498 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1690662791 DOBZPIBFZHOJTH-KGLIPLIRSA-N 484.420 2.268 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCCN(C2CCCC2)CC1 1690663336 SUTMXGBIEGBWBK-UHFFFAOYSA-N 486.642 2.106 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC([C@H]2CCCO2)CC1 1690675905 JEFILDJJTUGPIM-OAQYLSRUSA-N 450.543 2.426 30 10 JEEE CCN(c1nnc(COc2ccc(C#N)cc2)n1Cc1nccn1C(F)F)[C@@H]1CCS(=O)(=O)C1 1695568512 HNMURJCQJFHOPP-MRXNPFEDSA-N 491.524 2.382 30 10 JEEE COc1cc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CC2([S@@](C)=O)CC2)cc(OC)c1OC 1697251803 CKYMSMRJJUSREY-MQFAKOPTSA-N 463.535 2.324 30 10 JEEE COCCN(C)CCn1c(Cc2ccncc2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1698032423 AYLAQBDEIOBOOW-UHFFFAOYSA-N 478.576 2.179 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2cccc(C)c2C)n1CC[S@](=O)CC)[C@@H]1CCS(=O)(=O)C1 1705561874 WVHXDIIPAYEAKI-HOXYJEKUSA-N 492.667 2.430 30 10 JEEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@H](C)CN2CCN(CC)CC2)CC1 1705642242 MJXCWSMXBUNTJM-DEOSSOPVSA-N 479.673 2.194 30 10 JEEE C=CCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1705892600 RJSINPUYLXNEEA-UHFFFAOYSA-N 480.661 2.459 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1705895760 REQXXQKYEBARMQ-RHSMWYFYSA-N 451.474 2.089 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 1705899961 LSKNEFOIJPDRHN-UHFFFAOYSA-N 467.961 2.088 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1705906383 CETMGZWJOGTHAL-SFHVURJKSA-N 456.547 2.053 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@H](NC(C)=O)C1 1705938158 OTNUIBJFMOCCEN-SFHVURJKSA-N 482.006 2.216 30 10 JEEE C=CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1705941515 MFFPFRPHJVOGBY-KRWDZBQOSA-N 479.628 2.154 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(Cl)c2c(c1)OCCO2 1706746497 BOOUKEIOVQMLLC-DZGCQCFKSA-N 465.963 2.391 30 10 JEEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CCCCS1(=O)=O 1722357656 MATHNAMNXFYERV-BBWFWOEESA-N 451.593 2.086 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1ccc(C(=O)NCC)cc1)[C@H]1CCS(=O)(=O)C1 1722368904 XDQQZTMXJCYMJO-FQEVSTJZSA-N 471.627 2.291 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccccc1OC(F)F)[C@H]1CCS(=O)(=O)C1 1722370863 RFVWEORIQVMICX-FUHWJXTLSA-N 466.510 2.406 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2cccc(C(F)(F)F)n2)CC1 1722428875 CGGOTFRMUNZAAV-UHFFFAOYSA-N 463.508 2.414 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CCN2CCC[C@H]2C)CC1 1722434327 PNKRIEQNLCDWLZ-LJQANCHMSA-N 468.602 2.210 30 10 JEEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2C[C@](O)(c2ccccc2)C(F)(F)F)CC1 1722439583 HZOKOTUSYJGFCE-QHCPKHFHSA-N 470.499 2.469 30 10 JEEE C#CCN1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CC2(C(N)=O)CCOCC2)CC1 1722442392 VQNUADWDOPWMJT-UHFFFAOYSA-N 489.045 2.261 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@@](C)(O)c2ccc(F)cc2)CC1 1722448711 GGDJYFUGGQGIGW-AREMUKBSSA-N 476.556 2.277 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@H](C)N2CCC[C@@H](C)C2)CC1 1722449765 YVHXGFGMEFHNDS-RTWAWAEBSA-N 463.630 2.350 30 10 JEEE C#CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@@H](OCC=C)C1 1722458041 VVLJZFQWMKLQLR-QGZVFWFLSA-N 460.629 2.386 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(S(C)(=O)=O)cc2)CC1 1722583925 WXKJKZZPJJROGI-SFHVURJKSA-N 464.613 2.034 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 1722696190 DRCDFTNPPAXVJT-UHFFFAOYSA-N 483.935 2.397 30 10 JEEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1722701743 BSVMNSWWXXDUKK-IBGZPJMESA-N 455.559 2.242 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC(S(=O)(=O)c2ccccc2)CC1 1722728480 UZYUWXMTWYSWNS-UHFFFAOYSA-N 489.623 2.317 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1722729023 VZVDZRYLTGTQCZ-SFHVURJKSA-N 466.652 2.050 30 10 JEEE C=CCS(=O)(=O)CCn1c(N(C)Cc2cnn(C)c2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1722732180 VYRCEPJVMWVYIL-HDICACEKSA-N 493.634 2.020 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1722751183 QSIBFXIWNYUDLY-HXUWFJFHSA-N 496.431 2.271 30 10 JEEE CC(C)(C)OC(=O)NCCn1c(-c2ccc[nH]2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1722998670 AQMICILBEGIYHN-UHFFFAOYSA-N 463.546 2.391 30 10 JEEE CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@@H](OC)c1ccccc1 1729064934 FLQRHSPBRAGVMP-OAQYLSRUSA-N 464.574 2.443 30 10 JEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1740566121 CBBRKNCMRSHFPK-HOTGVXAUSA-N 452.606 2.035 30 10 JEEE C#CCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1740572672 SDUFQDZBRKZQBW-QFIPXVFZSA-N 482.610 2.251 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H](C)Oc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1740625141 DFOGBLLTNGWZEE-AQNXPRMDSA-N 488.610 2.275 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2nc3cc(Cl)ccc3s2)CC1 1740688337 DVSBKFZPTQVWNC-UHFFFAOYSA-N 457.991 2.483 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H]2CCCSC2)CC1 1740703457 TXTOWKREPWMZKV-JPYJTQIMSA-N 461.632 2.039 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](CNC(C)=O)C1 1740751631 MYYCQXXLISTJCU-SBHAEUEKSA-N 467.574 2.259 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1740767204 NFTLSGZOBGRVAG-DENIHFKCSA-N 455.559 2.464 30 10 JEEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccccc2F)C[C@H]1C 1740821411 GMGSMZHZJRCYPD-VQIMIIECSA-N 499.012 2.218 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)C(C)C 1740920671 FGFVWCXXHKHQDH-OFNKIYASSA-N 495.621 2.350 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1740965041 YWDAYZQRRXCUBS-MRXNPFEDSA-N 460.510 2.013 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@H]1C(C)C 1740988627 KTIUNRHNVQRJEK-IBGZPJMESA-N 456.576 2.146 30 10 JEEE CCC[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1745165085 BGZGTUMXSWFAND-RUZDIDTESA-N 467.618 2.358 30 10 JEEE CCCn1nc(-c2nnc(N(C)C[C@H](C)C#N)n2CCS(=O)(=O)CC)c2ccccc2c1=O 1745751557 BQNFMGYQKVFXAZ-MRXNPFEDSA-N 471.587 2.096 30 10 JEEE CCN(Cc1cnn(C)c1)c1nnc(COc2ccc(C#N)cc2)n1CCN1CCOC[C@@H]1C 1746243433 CUDWCZJERAOBFW-IBGZPJMESA-N 464.574 2.209 30 10 JEEE C#CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1748747615 KQIQUBQXEAHNOY-KRWDZBQOSA-N 483.598 2.115 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCN1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1748809349 LISIKPMVLMPNRF-PZJWPPBQSA-N 471.627 2.312 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1cc(F)cc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1748818957 IBFJVKOMQHKXLT-HXUWFJFHSA-N 469.542 2.087 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1CCN(C)[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1748819471 PBHVDTJZEMHBKT-UYAOXDASSA-N 461.607 2.365 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H](CC(C)C)NC(=O)OCC)CC1 1749010822 XNFOYCMGQFMTQL-LEWJYISDSA-N 488.633 2.299 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@](C)(O)[C@@H](C)CC)CC1 1749015851 POKNSPOITMOUAQ-AFMDSPMNSA-N 478.597 2.492 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCS(=O)(=O)CC1 1749121897 QIRZPDNUMHHECJ-JXFKEZNVSA-N 492.598 2.187 30 10 JEEE C=C(C)COCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1749219866 VJMKYJZLZWUFMN-LJQANCHMSA-N 458.588 2.175 30 10 JEEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@H](c2ccnn2C)C1 1749609295 MHTQQVSEVVVKFF-SFHVURJKSA-N 455.588 2.499 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2ccn(C)n2)C1 1749713580 VCTSBEZHTJZJIV-MOPGFXCFSA-N 473.578 2.150 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN(C(=O)OCc2ccccc2)CC1 1749729119 BKFAHSQDAHTZCK-UHFFFAOYSA-N 496.593 2.400 30 10 JEEE COCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(Cc2csc(C)n2)CC1 1749848610 FZIQVRLRVIVVFH-UHFFFAOYSA-N 453.572 2.462 30 10 JEEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCOC[C@@H]2C)CC1 1749898387 FMSAVMJSYNQONP-PZJWPPBQSA-N 454.575 2.170 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccc(CC)cc1)N(C)C 1760205485 BYDRLHIIXFUTRN-VXKWHMMOSA-N 453.612 2.118 30 10 JEEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@](C)(O)CCOC 1760205878 LXVUZOQNUFDAOC-XMMPIXPASA-N 459.591 2.253 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCC(=O)N1CCCCCC1 1760216397 MCUYDDRAKYZYJV-UHFFFAOYSA-N 495.653 2.494 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(F)(F)F)n1 1760219433 DXUNFHQFNVOHEA-OAHLLOKOSA-N 451.474 2.105 30 10 JEEE C#CCN(CC)c1nnc(-c2cc(OC)ccc2Br)n1CCNS(=O)(=O)CC 1760227162 WLLXPVVFHRFTLM-UHFFFAOYSA-N 470.393 2.115 30 10 JEEE C=C(C)COCCn1c(-c2ccccc2OC)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1760354500 COBFHFJRCJPTTH-UHFFFAOYSA-N 477.569 2.367 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)C1CCC2(CC1)OCCO2 1760515142 LJFGLPFOTBYJLG-UHFFFAOYSA-N 479.379 2.460 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](Cc2ccccc2)C1 1760555838 OVSKGSVZOOIOCS-NHCUHLMSSA-N 460.600 2.221 30 10 JEEE CC(C)C(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCOCC2)CC1 1760839904 HDQWVFRLKRWKBR-UHFFFAOYSA-N 452.559 2.099 30 10 JEEE CO[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1)C(C)C 1768075374 CWBILWZKALHWAZ-DBVUQKKJSA-N 476.603 2.009 30 10 JEEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCCCO2)n1CCS(=O)(=O)N1CCSCC1 1768633384 FVLSENGGYIYXBU-HXUWFJFHSA-N 490.655 2.406 30 10 JEEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1C(=O)O 1862757648 KXVCTMWXLKJYMW-SFHVURJKSA-N 453.407 2.007 30 10 JEEE CC(=O)Nc1ccc(C)c(-n2nnc(C#N)c2NC(=O)CNC(=O)c2ccc(Cl)cc2)c1 1870140150 BVEGZUUDMOCBKX-UHFFFAOYSA-N 451.874 2.428 30 10 JEEE CCCCCCCCN=c1nc(N2CCN(CCO)CC2)[nH]c(=Nc2ccc3c(c2)OCCO3)[nH]1 1871711456 FDQKXKUWAVCTLW-UHFFFAOYSA-N 485.633 2.117 30 10 JEEE CCOc1cccc(/C=N/Nc2cnn([C@@H]3CCS(=O)(=O)C3)c(=O)c2Br)c1 1873527206 PQSPNLLDAJVLQG-VDLQQMNMSA-N 455.334 2.210 30 10 JEEE COc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)C(=O)Nc3ccccc3C#N)CC2)cc1 1873868406 BJJNPOHKNBAOAE-INIZCTEOSA-N 470.551 2.111 30 10 JEEE CCN(CC)C(=O)CSc1nnc(CCOC)n1/N=C/c1cc(OC)c(OC)c(OC)c1 1874469803 XVKIKASIORXDSE-LPYMAVHISA-N 465.576 2.336 30 10 JEEE Cc1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2CO)cc1B1OC(C)(C)C(C)(C)O1 1963042476 RPUJQXAPMSNJQS-GOSISDBHSA-N 460.380 2.348 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](C(=O)O)N(C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C1 2188802612 UPCBIGLJBSLBLM-AABGKKOBSA-N 471.558 2.259 30 10 JEEE CC1(C)OB(c2cccc(S(=O)(=O)N3CC(NC(=O)OCc4ccccc4)C3)c2)OC1(C)C 2247880989 OZRDSXWXUKJNII-UHFFFAOYSA-N 472.372 2.285 30 10 JEEE Cc1c(C(=O)NC2CC(NC(=O)OCc3ccccc3)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2255530434 SFZHOHAWUGWJHB-UHFFFAOYSA-N 468.363 2.215 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CCCN(C(=O)OCc3ccccc3)C2)n1 2255649551 UKHKVZAIRJIGSF-SFHVURJKSA-N 468.363 2.250 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1COC[C@@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2255703285 QQBKGPWBIYKMCY-KGLIPLIRSA-N 452.382 2.317 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCOC[C@@H]1NC(=O)c1ccsc1B1OC(C)(C)C(C)(C)O1 2255809533 YWRYKRASCNYLIY-GJZGRUSLSA-N 452.382 2.459 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2csc(B3OC(C)(C)C(C)(C)O3)c2)C[C@@H](O)C1 2255848125 WRXJJARPGZAXKZ-OAHLLOKOSA-N 452.382 2.101 30 10 JEEE CC(C)(C)OC(=O)NCC[S@](C)(=O)=NC(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2255877324 JEJXQAQZLLHGBN-HKBQPEDESA-N 453.370 2.144 30 10 JEEE Cc1cc(CNC(=O)[C@H](O)[C@@H](C)NC(=O)OC(C)(C)C)sc1B1OC(C)(C)C(C)(C)O1 2256626234 HMTGSXIBCSWRKX-UKRRQHHQSA-N 454.398 2.246 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)C1CCC1 2256668639 DHASYGZDLJQCRP-CYBMUJFWSA-N 452.386 2.281 30 10 JEEE Cc1c(B2OC(C)(C)C(C)(C)O2)csc1C(=O)N[C@@H](C)C1(O)CN(C(=O)OC(C)(C)C)C1 2267104110 RPRPZSXOOKQEOX-AWEZNQCLSA-N 466.409 2.456 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H](O)C[C@@H]2CNC(=O)OC(C)(C)C)s1 2267110723 ICXPJQGFJZBQQR-CABCVRRESA-N 466.409 2.456 30 10 JEEE CC(C)(C)OC(=O)NCC[C@@H]1CN(C(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)CCO1 2267157604 YYGAJJZCVLKPPM-CQSZACIVSA-N 467.397 2.198 30 10 JEEE C=C(CS(=O)(=O)NC[C@]12CN(Cc3ccccc3)C[C@@H]1CCO2)B1OC(C)(C)C(C)(C)O1 2267720539 MHMPQQPMAXLIMK-REWPJTCUSA-N 462.421 2.385 30 10 JEEE Cn1nc(C(=O)NC[C@H]2CC3(CC3)CN2C(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2281964904 FCEZTYIKOMMYSS-OAHLLOKOSA-N 460.384 2.239 30 10 JEEE Cn1cc(C(=O)N2CC[C@H]3[C@H](CCN3C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2281975962 UZXVAMFTXLUGIY-WBVHZDCISA-N 460.384 2.191 30 10 JEEE Cc1nn(C)c(C(=O)NC[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2281987331 XVRSPYMUJVDJBS-HSZRJFAPSA-N 462.400 2.405 30 10 JEEE Cc1nn(C)c(C(=O)N[C@]23CCN(C(=O)OC(C)(C)C)C[C@@H]2C3)c1B1OC(C)(C)C(C)(C)O1 2281988539 NYTOANXTQQETSO-WNSKOXEYSA-N 460.384 2.157 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@H]3[C@@H](CCN3C(=O)OC(C)(C)C)C2)n1 2282033994 BKIMSDFXVODFKJ-RDJZCZTQSA-N 460.384 2.191 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2[C@@H]3CCCCN(C(=O)OC(C)(C)C)[C@@H]32)n1 2282036234 GDXYMQLLTLTLED-LESCRADOSA-N 460.384 2.237 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(C(=O)OC(C)(C)C)CCC12CC2 2282037882 BBPBGYVTCDVLDR-UHFFFAOYSA-N 460.384 2.335 30 10 JEEE CN(C[C@H](O)CN(C)C(=O)c1cccc(F)c1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2282397145 KBZOQYKAASMEOP-OAHLLOKOSA-N 466.359 2.425 30 10 JEEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CN(S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1)C2 2282415063 BJVBIQYXLFCZJF-GJZGRUSLSA-N 499.464 2.356 30 10 JEEE C[C@@H](NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1)C1(O)CN(C(=O)OC(C)(C)C)C1 2282481657 YJXBWYAKOJQSLJ-CQSZACIVSA-N 464.343 2.225 30 10 JEEE CC(C)(C)OC(=O)N[C@@]12CC[C@@H]1CN(S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1)C2 2282501448 XDQSTAQYOWGYBI-SPLOXXLWSA-N 499.464 2.261 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C2)n1 2282553499 RNMLYBHXTFGIMQ-MRXNPFEDSA-N 462.400 2.485 30 10 JEEE Cn1ncc(C(=O)NC[C@H]2CCN(C(=O)OC(C)(C)C)C23CC3)c1B1OC(C)(C)C(C)(C)O1 2282568710 GXCOCIADKFWIPV-OAHLLOKOSA-N 460.384 2.239 30 10 JEEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CCNC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2282585896 RGZSTGHRGQYVKD-HZPDHXFCSA-N 462.400 2.342 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H]3C[C@@H]3[C@@H]2CNC(=O)OC(C)(C)C)n1 2282599519 POFGXBNFZSXFTC-ZOBUZTSGSA-N 460.384 2.187 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CNC(=O)c3ncc(B4OC(C)(C)C(C)(C)O4)cn3)C[C@H]21 2282616165 XTEMLDNXXAVEGH-DJIMGWMZSA-N 458.368 2.151 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](NS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282831084 FBHXPKJDBJNFPF-DLBZAZTESA-N 481.424 2.495 30 10 JEEE CC1(C)OB(c2cncc(S(=O)(=O)N[C@H]3CCOC[C@@H]3OCc3ccccc3)c2)OC1(C)C 2282864158 ZNHHWWQYGALNCD-SFTDATJTSA-N 474.388 2.033 30 10 JEEE CC(C)(C)OC(=O)NCC1CC(F)(CNC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2283063011 VCPWRFRIPIBLLL-UHFFFAOYSA-N 464.347 2.149 30 10 JEEE CO[C@H]1C[C@@H](C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)CN(C(=O)OC(C)(C)C)C1 2283937628 WSDUAPVLNKZXRY-CABCVRRESA-N 481.424 2.331 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N(CCNC(=O)OC(C)(C)C)C[C@H](C)O 2285348442 VUYMZDGBYLCEJL-INIZCTEOSA-N 463.384 2.037 30 10 JEEE CCS(=O)(=O)N1CCC([C@H]2CN(c3ccc(C#N)c(C(F)(F)F)c3)C[C@@H]2C(=O)NC)CC1 2297650305 LEFHFGBTRGKWAQ-MSOLQXFVSA-N 472.533 2.437 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CO)C(=O)NCc1sc(Cl)cc1B1OC(C)(C)C(C)(C)O1 2303772943 NARJITUPYKGUIH-LBPRGKRZSA-N 460.789 2.203 30 10 JEEE C=C(CS(=O)(=O)N1CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)[C@H]1C)B1OC(C)(C)C(C)(C)O1 2312863325 MMFBJXLBCZFUQO-MRVWCRGKSA-N 454.320 2.281 30 10 JEEE CCOc1ccc(C=Nn2c(CNC(C)=O)nnc2SCC(=O)Nc2nccs2)cc1OC 2330747964 ZEZBFCYHXOMQPZ-UHFFFAOYSA-N 489.583 2.391 30 10 JEEE Cc1scc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2CO)c1B1OC(C)(C)C(C)(C)O1 2343511972 QHJHAKLBSXDJGA-OAHLLOKOSA-N 466.409 2.410 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](CN=c2cc(B3OC(C)(C)C(C)(C)O3)c(F)c[nH]2)CO1 2345712487 IVRLVERSZCMUCM-LSDHHAIUSA-N 451.348 2.284 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)[C@@H]2CC[C@@H]21 2359266981 ICQIYIWFUQVZAF-BBWFWOEESA-N 458.368 2.294 30 10 JEEE 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)ncn1C 2362350672 UYZYVJSUWBCOMJ-OAGGEKHMSA-N 460.384 2.047 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](CNC(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)N2CC[C@H]1C2 2368747770 PEYSTKNCEQBVNI-HOTGVXAUSA-N 461.368 2.002 30 10 JEEE C=CCSc1nnc(NC(=O)CSc2nnc(-c3ccc([N+](=O)[O-])cc3)n2N)s1 59790650 YMDHJRILBLYFDJ-UHFFFAOYSA-N 450.531 2.428 30 10 JEEE C=CCNS(=O)(=O)c1ccc(C(=O)NC2CCN(C(=O)c3ccc(OC)cc3OC)CC2)cc1 642240710 ZINIXPBTMXCCFJ-UHFFFAOYSA-N 487.578 2.203 30 10 JEEE C[C@H](C#N)CNC(=O)c1cc(I)cc(I)c1O 701293468 ZBVQNOJXKZACFV-ZCFIWIBFSA-N 456.021 2.491 30 10 JEEE CC(=O)Nc1cccc(-n2c(=C(C#N)C(=O)C(C)C)sc(=Cc3cnn4ccccc34)c2=O)c1 729669363 MOHDIRZSCKILKG-UHFFFAOYSA-N 471.542 2.233 30 10 JEEE CC#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](C(=O)O)[C@@H](C)O 757207271 HKWDTOOQORZUCL-KBJGYGKASA-N 450.491 2.257 30 10 JEEE CC#CC[C@H](NC(=O)C[C@H](O)CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 757211578 NSRCKMDAYVESOM-AOMKIAJQSA-N 450.491 2.259 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1286271198 RASPJUCMSMNXDJ-IEBWSBKVSA-N 458.588 2.029 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1Cc1ccc(OC)c(OCC)c1)[C@@H]1CCS(=O)(=O)C1 1286387401 QSVHFRRKVIEKHV-LJQANCHMSA-N 483.594 2.366 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1CC(C)(C)CN(C)C)[C@@H]1CCS(=O)(=O)C1 1286391794 DRVWEFKBTAIJBJ-HXUWFJFHSA-N 473.643 2.092 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H](C)Oc1ccccc1)[C@H]1CCS(=O)(=O)C1 1286396643 WSFLSELQZZBGOD-CTNGQTDRSA-N 465.579 2.358 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CC(c2ccccc2)C1 1286429319 ADLBSIGRNPQELL-SDVLMSEASA-N 481.622 2.268 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 1286459589 RKJPWCRSOCRXCK-GOSISDBHSA-N 457.579 2.412 30 10 JEEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccc(Cl)cc2C1 1286607188 CMQCSBASEYNCDV-FQEVSTJZSA-N 496.033 2.420 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1286779431 IVSKRVASHLEDGI-HNNXBMFYSA-N 493.381 2.454 30 10 JEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(n2cc(Cl)cn2)CC1 1286790835 QGGMQYFDTJUZME-UHFFFAOYSA-N 457.970 2.133 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@]2(C)[C@H](C1)C2(Cl)Cl 1286793632 IDIVWJVIZIUJLF-PWDMQXDWSA-N 458.390 2.324 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1C[C@]1(O)CCC[C@@H]1C 1288152905 HKVPAXJIOFGLFF-BXKMTCNYSA-N 469.565 2.305 30 10 JEEE COc1ccccc1[C@@H](CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)N1CCCC1 1290020945 DNCDHWXKJLZYQP-DYESRHJHSA-N 456.568 2.187 30 10 JEEE Cc1nn(C)c(N2CCN(c3nnc(CC(C)C)n3CC3(S(C)(=O)=O)CCCC3)CC2)c1C#N 1290576614 GUEVSZSUJRJKPB-UHFFFAOYSA-N 488.662 2.074 30 10 JEEE CCOC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCN(C)CCOC)C1 1296405457 COWQZVBSQYJDPX-FQEVSTJZSA-N 455.563 2.110 30 10 JEEE CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 1299261793 GJUPYXHNBJUGNQ-IBGZPJMESA-N 481.601 2.244 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCCN(CC)S(C)(=O)=O 1300267694 ISSAXWIDXPUGAI-GOSISDBHSA-N 460.604 2.277 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1csc(C(C)(C)C)n1 1300311344 SHTUMWXMHPMPJR-RDJZCZTQSA-N 480.660 2.066 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ccccc1C(C)C 1300311609 UMRPYKNLOJBWIG-WIYYLYMNSA-N 475.615 2.271 30 10 JEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1Cc1ncccc1C)[C@@H]1CCS(=O)(=O)C1 1300502055 QAWRTGINNBGPDF-OAQYLSRUSA-N 479.606 2.450 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@](C)(O)c2ccco2)CC1 1300718794 FMEVRMXTUPAWOZ-VWLOTQADSA-N 463.538 2.420 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](OC)C2CC2)CC1 1300731475 QEXFYSSKHQEDQO-JOCHJYFZSA-N 462.554 2.120 30 10 JEEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1300763911 YDQORMDAJJSHTK-FGZHOGPDSA-N 476.691 2.117 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1Cc1cccc(S(=O)(=O)NC)c1 1300813448 KPVYICQBRUEEIO-HSZRJFAPSA-N 498.634 2.218 30 10 JEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 1301258006 JCRDSWMGSNSENS-UXHICEINSA-N 462.620 2.428 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2cccc(C(N)=O)c2)C1 1301544234 UWSASQAPIQOHIU-YKSBVNFPSA-N 455.559 2.247 30 10 JEEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2)CC1 1301594453 CUCZMRXGQATQPO-QGZVFWFLSA-N 450.634 2.134 30 10 JEEE C[C@](NCC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)(C(N)=O)c1cccc(Cl)c1 1307546088 FTETVQFEVAIYDW-NFBKMPQASA-N 457.937 2.178 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1Cc1ccc(F)cn1)[C@@H]1CCS(=O)(=O)C1 1358955125 FDBPMLPVPQSBQX-OAQYLSRUSA-N 496.568 2.356 30 10 JEEE C#CCN(CC#CC)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1358998095 PTQPEXSLYITPHF-OAQYLSRUSA-N 486.498 2.455 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCS(=O)(=O)C(C)(C)C 1359022536 DIZCEGIQBOVWSL-UHFFFAOYSA-N 470.599 2.430 30 10 JEEE C#CCN(CCOC)c1nnc(CNC(=O)c2cccs2)n1CC(F)(F)Br 1359027178 YNQXFYGLKGNFJH-UHFFFAOYSA-N 462.320 2.343 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2Cc2ccc(OCCO)c(OC)c2)CC1 1359037678 SNKWHOIWZIBMSJ-UHFFFAOYSA-N 467.595 2.114 30 10 JEEE C=C(Br)Cn1c(COc2ccc(OC)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1359087491 HMDUMEOVVJPWCA-AWEZNQCLSA-N 471.377 2.398 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1359188895 WXYNSGADMQOJIL-QGZVFWFLSA-N 487.692 2.033 30 10 JEEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)NCc2ccc(C)c(F)c2)CC1 1359283534 ZBQWYRMJSJCNBQ-INIZCTEOSA-N 478.594 2.055 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 1359298574 DVJDGGBAMKJWLC-QGZVFWFLSA-N 455.563 2.396 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H]2CCS(=O)(=O)C2)C1 1359317303 GIPORKLLSSLTSH-FUHWJXTLSA-N 462.572 2.178 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCO[C@@H](C#N)C1 1359327456 BNYJBCJEBXHXIS-KRWDZBQOSA-N 452.540 2.131 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@H](N2CCCC2=O)C1 1359328501 FZIZXMPLTXPILP-SFHVURJKSA-N 463.991 2.400 30 10 JEEE CC(=O)N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1435454080 FISQFPHFXZBJRP-PXNSSMCTSA-N 457.506 2.326 30 10 JEEE CCS(=O)(=O)c1cc(Cl)cc(CNC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)c1 1469044395 BLEXSJDISMZFRF-UHFFFAOYSA-N 454.957 2.236 30 10 JEEE Cc1nc(CCn2c(-c3ccc(C#N)cc3)nnc2N(C)CC(C)(C)CN2CCOCC2)n[nH]1 1492687319 FTNAVQUTUQPCLG-UHFFFAOYSA-N 463.590 2.281 30 10 JEEE C[C@@H]1CCCN([C@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CC(=O)N2CCOCC2)C1 1493694308 BDKZZWPSMIADPY-WOJBJXKFSA-N 465.602 2.232 30 10 JEEE CN(C)C(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1503370154 BAAJMSCARHOOJH-UHFFFAOYSA-N 495.385 2.389 30 10 JEEE C#CCCCCn1c(-c2cccn2C)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1507558721 KOQXIOLZAASFBN-NFBKMPQASA-N 451.619 2.466 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1Cc1ccc(OCC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1507627586 DYMMUISBXHPQAT-IBGZPJMESA-N 483.594 2.366 30 10 JEEE C#CCN(c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCC)[C@@H]1CCS(=O)(=O)C1 1507632762 AMPMMULGRMLPJA-MSOLQXFVSA-N 481.619 2.013 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCNC(=O)c1cc[nH]n1 1507706835 PEGNXKOGRMDAII-INIZCTEOSA-N 467.599 2.371 30 10 JEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1Cc1cc(OC)ccc1OC 1507710094 IFEJLNMVBKNMAE-UHFFFAOYSA-N 453.499 2.157 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H]2CC(F)(F)CO2)CC1 1507734871 ASIBBFHZZMTLNZ-SFHVURJKSA-N 489.523 2.352 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)cn3C)n2CCOCC(F)F)CC1 1507736766 SWPKUHCFZCPAEI-UHFFFAOYSA-N 499.360 2.294 30 10 JEEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1507754924 QDRDQMZCZJFVOQ-SFHVURJKSA-N 457.604 2.320 30 10 JEEE C=C(Br)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCC(=O)NC 1507784964 KWISDFSYNAZQKY-CQSZACIVSA-N 487.399 2.067 30 10 JEEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1507786367 WXJZPHPNAUESKR-RBUKOAKNSA-N 489.418 2.429 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCCN(S(C)(=O)=O)CC1 1507802367 AEUDCYQCHFAMDR-PXNSSMCTSA-N 480.660 2.087 30 10 JEEE C=C(C)CN(CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@H]1COCCO1 1507822062 OYMINDOUAIFWRV-QHCPKHFHSA-N 454.619 2.461 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)Oc2ccccc2)CC1 1507884943 ODDDVQYGPJPCJM-UYAOXDASSA-N 461.588 2.235 30 10 JEEE C=CCN(CC=C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN1CCOC(C)(C)C1 1508018246 QEQJBBUWGMRWMN-UHFFFAOYSA-N 463.586 2.481 30 10 JEEE C=CCn1c(-c2cccc(Br)c2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1508049938 NSJACSFGGHEDOB-UHFFFAOYSA-N 461.364 2.468 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1508095638 YVECYOUJXYAVJW-UHFFFAOYSA-N 491.589 2.236 30 10 JEEE COc1ccccc1OCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@H](C)N(C)C 1518522729 DHOFQQLLZYNUIQ-IBGZPJMESA-N 476.585 2.409 30 10 JEEE COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)Nc2nc(Cl)c(C#N)s2)cc1 1521211394 HXNAANJEDGIIQM-UHFFFAOYSA-N 458.949 2.204 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H]2CCN(c3ccccc3Cl)C2=O)ccc1F 1521811465 BPWMUAIHXHORED-INIZCTEOSA-N 451.907 2.479 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@]1(O)CCO[C@H]1C 1539003088 LEOCCWQYVIXVOC-UAVUOLJFSA-N 450.543 2.234 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(C(=O)N(C)C)CCCC1 1539003476 OHULLQZGYBBUBX-QGZVFWFLSA-N 461.570 2.299 30 10 JEEE C#CCCCCn1c(COc2ccccc2OC)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1539081457 BBYKIALGUZDTKN-SFHVURJKSA-N 461.588 2.139 30 10 JEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 1539224904 KBHJASQIPZPYPQ-LJQANCHMSA-N 454.552 2.340 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CC(C)(C)OCC)[C@H]1CCS(=O)(=O)C1 1539230563 ODDNPPPZWRSIEI-IBGZPJMESA-N 471.583 2.171 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(OC)ccc2Br)n1CCn1cncn1 1539399257 IPOVEBNQCNWBGN-UHFFFAOYSA-N 460.336 2.094 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2Cc2ccc(S(C)(=O)=O)cc2)CC1 1539469769 VANKUAYKAFZBQT-QGZVFWFLSA-N 457.600 2.209 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2cc(Cl)c(OC)c(OC)c2)CC1 1539489142 HMXXUDQLILRJBG-UHFFFAOYSA-N 475.977 2.499 30 10 JEEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CCC(N2CCNC2=O)CC1 1539519139 CGTDCQINPKQLJP-UHFFFAOYSA-N 454.600 2.238 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(-c2n[nH]c(C)n2)cc1 1539539009 NXZNMAZUHQXKLV-IVZQSRNASA-N 468.587 2.022 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1CCCN1CCC(O)CC1 1539566683 NHIPSLAZCFVZQR-HSZRJFAPSA-N 456.616 2.109 30 10 JEEE C=C(C)COCCn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1539760263 ZTXGSCYEQMVSHO-FDFHNCONSA-N 474.650 2.349 30 10 JEEE C=C(Cl)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1539787036 GNCLLKRFTVOVJM-HNNXBMFYSA-N 460.922 2.188 30 10 JEEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCCC[C@H](C)C1 1540863958 KOSHNAYQFWGEJV-INIZCTEOSA-N 459.620 2.475 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C(=O)c2ccco2)CC1 1540872302 KEHMXJWMSVEMAT-UHFFFAOYSA-N 468.945 2.380 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H]2COCCO2)C1 1540883934 HCYRICXMGOVVPW-HZPDHXFCSA-N 452.353 2.243 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CCN2CCOCC2(C)C)C1 1540894595 AXYINPBZMPKTIL-SFHVURJKSA-N 474.631 2.162 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@@H](C)C1 1540898648 QCDCRNKQTGKFRN-MRXNPFEDSA-N 480.660 2.384 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(OC)cc2)nnc1N1C[C@H](C)O[C@H](C)C1 1540908464 HAMIYAYHPACFBA-CALCHBBNSA-N 450.561 2.080 30 10 JEEE C=CCS(=O)(=O)CCNS(=O)(=O)c1scc(Br)c1Br 1561407119 VRQGBAAWGSBBJM-UHFFFAOYSA-N 453.199 2.152 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1(N(C)C)CCOCC1 1587621465 UYHIKRSVPYRRGK-GOSISDBHSA-N 463.586 2.244 30 10 JEEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(N(C)C(C)=O)CC1 1587856099 GVKJJKXENULICK-UHFFFAOYSA-N 450.591 2.313 30 10 JEEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(F)c(F)c1)[C@H]1CCS(=O)(=O)C1 1588034966 NVZKSUPAYRMFBY-FDDCHVKYSA-N 494.564 2.272 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1CCN(C)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1588045875 SCFGXDYXIOLKST-HXUWFJFHSA-N 456.616 2.231 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1Cc1ccc(C)cc1N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1588058795 CKHVDKCUWROJFE-QFIPXVFZSA-N 485.654 2.297 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CCOc2cccc(C(F)(F)F)n2)CC1 1588811659 LSFXPLSJRULVFU-INIZCTEOSA-N 450.465 2.030 30 10 JEEE C=C(Br)Cn1c(COc2ccc(OC)cc2)nnc1N1CCS(=O)(=O)CC1 1589449324 AWWFAZPUCATWIS-UHFFFAOYSA-N 457.350 2.009 30 10 JEEE C=C(C)Cn1c(Cc2ccccc2F)nnc1N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 1593650193 NVUGVCNAEPGZLE-IBGZPJMESA-N 465.595 2.461 30 10 JEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1593690352 KNKLQNBZZIYJRY-UHFFFAOYSA-N 453.469 2.342 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc3c(c2)CCCN3C)C1 1595672912 DIMKUWKDIDIBMI-YLJYHZDGSA-N 474.631 2.100 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCS[C@@H](C)C1 1595789351 RFMBBSQLSQGIDY-INIZCTEOSA-N 488.639 2.217 30 10 JEEE COc1ccc(C(=O)N[C@@H]2CO[C@@H]3[C@H](Nc4nccc(-c5cccc(C#N)c5)n4)CO[C@H]23)cc1 1616132190 KUWWLLKHXXGTOQ-SSGKUCQKSA-N 457.490 2.401 30 10 JEEE COC(=O)[C@@]12CCCC[C@@H]1CN(C(=O)[C@@H](CC(C)C)/N=C1/NS(=O)(=O)c3ccccc31)C2 1628041421 DNOJPVVNLKSOGY-JTUHZDRVSA-N 461.584 2.332 30 10 JEEE C=CC[C@@H](CO)CNC(=O)C1CCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)CC1 1633025626 DLZQXPFBPPYYCU-CQSZACIVSA-N 450.479 2.287 30 10 JEEE C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CC(=O)N(CCOc3ccccc3)C2)cc1 1670762261 DFDXWOPRMAGNAC-AEFFLSMTSA-N 456.524 2.174 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C)ccc1OC(F)F 1689853812 YTPFLJRDUOXDAO-YJBOKZPZSA-N 483.541 2.027 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1Cc1cnn(CC)c1)[C@@H]1CCS(=O)(=O)C1 1689979691 GCWPRVMZLGMFME-PKOBYXMFSA-N 486.573 2.449 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccccc2Br)n1CCCNS(=O)(=O)CC 1690040478 COACCNUBTMMFIP-UHFFFAOYSA-N 478.416 2.500 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)Oc1cccc(OC)c1 1690047373 PMQIMILVGATSBZ-OALUTQOASA-N 456.568 2.119 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1CCCN1C[C@H](C)O[C@@H](C)C1 1690103996 KBDGJRWMDCTCEB-JTAQYXEDSA-N 469.586 2.376 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Cl)c3)n2CCNC(=O)C2CC2)CC1 1690138265 XFIHVBJGLZSNJC-UHFFFAOYSA-N 454.962 2.091 30 10 JEEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(O)(c2ccccc2)CC1 1690219402 DCGSOJWJVFFPJC-HNNXBMFYSA-N 484.420 2.285 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1690228682 CQMQRBGUSNWDLB-GFCCVEGCSA-N 485.326 2.437 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCC(CC(=O)NC)CC2)nnc1[C@]1(OCC)CCOC1 1690252949 KQWVHJAXTXYHRU-PTLVVNQVSA-N 461.607 2.264 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1690260239 DPGPQKYCVJPRKE-JOCHJYFZSA-N 464.588 2.304 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)c1ncc(C)s1 1690597532 WPOZXNLRTAJDOT-DOTOQJQBSA-N 466.633 2.358 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](c2cc3ccccc3[nH]2)C1 1690661161 WCZSJKPYCRVAFD-WMZOPIPTSA-N 485.614 2.056 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCC[C@H](CN2CCOCC2)C1 1690720891 TZQGIWCDRRCMIS-LJQANCHMSA-N 477.606 2.234 30 10 JEEE C=CCS(=O)(=O)CCn1c(CSc2ccc(C)cc2)nnc1N1CCNC(=O)[C@H]1CC 1690730187 ZNNKZKIWRGNZBS-GOSISDBHSA-N 463.629 2.194 30 10 JEEE CNC(=O)[C@@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCCO[C@@H](C)C2)C1 1696926374 AWKMYHCLFQFMNS-FNZWTVRRSA-N 495.628 2.192 30 10 JEEE N#Cc1cccc(-c2nnc(N3CCC(CC(N)=O)CC3)n2C[C@H](N2CCOCC2)C(F)(F)F)c1 1698484017 CXUAGLRHSODRGH-IBGZPJMESA-N 491.518 2.172 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1CC1(CS(C)(=O)=O)CC1 1705480177 PIHXCQXUYIPTQO-ZDUSSCGKSA-N 454.394 2.329 30 10 JEEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1CC1([S@@](C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1705560203 IKPPTIILPAOKQO-PLURTKGISA-N 474.652 2.358 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@H](C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 1705563738 DMQWDNRFURPLAF-UXHICEINSA-N 471.627 2.312 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1Cc1cnccc1OC)[C@@H]1CCS(=O)(=O)C1 1705567985 FCVDZEMBENCZGG-GOSISDBHSA-N 485.541 2.075 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1CCCN1C[C@H](C)O[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1705570503 QPDGNTMZMITRJD-ZJOUEHCJSA-N 491.683 2.056 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1csc(C(C)(C)C)n1 1705612259 CXRZXNZAWYZLBB-QGZVFWFLSA-N 480.660 2.067 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCOc1cccc(C(F)(F)F)n1 1705620982 MSCFTPUDIIZTIM-UHFFFAOYSA-N 466.464 2.093 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@](C)(O)c1cc(C)oc1C 1705626871 LXLOMEXABRSCAN-AREMUKBSSA-N 490.564 2.396 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@]2(O)CCSC2)CC1 1705646663 MRBHSTYYTKPVFU-QFIPXVFZSA-N 460.003 2.432 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@@H]2CCOC2)CC1 1705651202 NMYVAOSXLULQQB-HXUWFJFHSA-N 462.554 2.121 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccncc2)n1Cc1cccc(S(=O)(=O)NC)c1 1705675916 GCTJSQLZUUDULT-HSZRJFAPSA-N 450.568 2.212 30 10 JEEE C=C(Cl)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1705750337 ZVRABUWYCUTGNL-WMZOPIPTSA-N 496.033 2.469 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CN2CCCC2=O)n1CC1([S@@](C)=O)CC1 1705860315 GNIGXKVAUFFUQZ-JGCGQSQUSA-N 452.584 2.376 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1705933895 VBMGTIOIRVWESW-UHFFFAOYSA-N 489.520 2.342 30 10 JEEE CO[C@@H]1COCC[C@@H]1Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)C[C@H](C)C#N 1712097501 BWXSEGZSEBGSLL-MISYRCLQSA-N 454.579 2.099 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CC1(C(N)=O)CCOCC1 1722283571 SUMCUFNTMJYGML-AWEZNQCLSA-N 476.375 2.456 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC1CC(OC(C)(C)C)C1 1722293378 CIGVXFJTMJVWSZ-UGXKVIGPSA-N 467.636 2.053 30 10 JEEE C#CCCCn1c(-c2ccccc2OC)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1722329468 AORJKKDSOZLZQV-KNQAVFIVSA-N 450.587 2.356 30 10 JEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCNC(=O)c1ccccc1F 1722343110 HECQRZLOPGSVJA-UHFFFAOYSA-N 483.573 2.185 30 10 JEEE C#CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC(=O)NCc1ccco1 1722352245 NCRSMTLAELTJPG-UHFFFAOYSA-N 456.547 2.371 30 10 JEEE C#CCN(c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H](OC)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1722368644 UHOONDKRUIOTAD-DZFGPLHGSA-N 488.610 2.478 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[C@H]1COCCO1 1722403642 YVNNBOQCAHMAQC-ZCNNSNEGSA-N 457.575 2.317 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@H](C(C)C)N2CCOCC2)CC1 1722436111 XFYAJSLNSYGHJW-QHCPKHFHSA-N 452.603 2.066 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2C[C@@H](c2cccc(OC)c2)N(C)C)CC1 1722446411 VLEWIKCSUVMSQX-QFIPXVFZSA-N 450.587 2.433 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](C)Cc2ccc(OC)cc2)CC1 1722448459 UYHCGIQOGGRYKO-XMSQKQJNSA-N 478.597 2.082 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nc(C(C)C)cs1 1722476040 XJZYXMPTDQJPJU-DYESRHJHSA-N 478.644 2.231 30 10 JEEE C=CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN2C(=O)CC[C@H]2C1 1722597576 OFHVXCBVIULOBK-IBGZPJMESA-N 472.615 2.363 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1[C@@H]1C[C@H]1CF 1722653996 HDYRHORYJKIRSX-SXLOBPIMSA-N 479.578 2.343 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCn1cc(C)cn1 1722663616 DBGMGMPASNBLRG-IBGZPJMESA-N 491.643 2.070 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N(C)C[C@@H]2CCN(C(C)=O)C2)cc1 1722702662 OSBQULBQIISJHK-NRFANRHFSA-N 466.586 2.432 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(OCC(F)(F)F)nc2)C1 1722712961 CDZTUZMOQVQOML-HZPDHXFCSA-N 466.464 2.395 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 1722725857 USKQGUQIICIJRI-UHFFFAOYSA-N 484.557 2.042 30 10 JEEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(CCc2ccccc2)n1CCCC(=O)N(C)C 1726641291 COPKISMMWAZGLB-FQEVSTJZSA-N 487.612 2.308 30 10 JEEE CC[C@H](C)N(C)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1727078527 FPVRJKGZEVTSAX-FXAWDEMLSA-N 468.581 2.297 30 10 JEEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(c2cnccn2)CC1 1740590492 HUOJJMKQBSYQEH-IBGZPJMESA-N 482.589 2.117 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1csc(-c2ccco2)n1 1740655907 GGQYBHBLHWLLAI-INIZCTEOSA-N 455.565 2.408 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1cccs1)N1CCCC1 1740686108 OOAAKYCABKVFJE-OALUTQOASA-N 477.656 2.165 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccc(NC(=O)CC(C)C)c2)CC1 1740688990 NCHXTIPROKNZNR-UHFFFAOYSA-N 465.602 2.204 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](CC)Oc2cccc(F)c2)CC1 1740705888 NSRKOEJGLZIQGR-FPOVZHCZSA-N 482.560 2.192 30 10 JEEE C=C(Br)Cn1c(CC(C)C)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1740745256 PZGXIUKXFONUMH-YJBOKZPZSA-N 453.429 2.374 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1740774050 KHNFVINSMHYUPH-FXAWDEMLSA-N 461.588 2.475 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1740955657 BRQAIBRURWQVCA-JOCHJYFZSA-N 489.418 2.311 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H]1c1ccc(COC)o1 1740985347 FWJRKYDSBGLSQY-GOSISDBHSA-N 477.587 2.196 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](CN2CCCC[C@H]2C)C1 1740992414 PNNCRNXKXFBXRU-NJDAHSKKSA-N 465.664 2.474 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1740993383 ZNDOJFQAVNSCBI-UHFFFAOYSA-N 491.621 2.059 30 10 JEEE CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCCC[C@@H]2C)CC1 1746511410 FPFOSYNJINEOEG-NRFANRHFSA-N 478.645 2.339 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](c1ccc(C)cc1)N1CCCC1 1748639393 GGJRFTSODSLLFS-QKNQBKEWSA-N 458.632 2.492 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1Cc1ccccc1OC)[C@@H]1CCS(=O)(=O)C1 1748818807 GVDFVHSVSYDHLO-LJQANCHMSA-N 471.608 2.317 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC1(OC)CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1748821601 RNVWQUIBNURCDD-VZQLXNMESA-N 488.658 2.362 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1Cc1ccc(C(N)=O)nc1 1748836319 UUHRGBPMLORFSQ-UHFFFAOYSA-N 458.522 2.356 30 10 JEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CC(=O)N(c2ccccc2)C1 1748856347 ZUBLMSITTMBODV-IBGZPJMESA-N 472.574 2.396 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCNC(=O)C1CC1 1748906316 ATQPMSMQMXVTCE-KDURUIRLSA-N 454.575 2.038 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccccc2OCC(F)(F)F)CC1 1748971042 BDYNTYMEIGWBDK-UHFFFAOYSA-N 476.503 2.259 30 10 JEEE C=C(Br)Cn1c(CNC(=O)c2cccs2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1749109203 FVZXFLOBQGWQNS-QWHCGFSZSA-N 490.449 2.436 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1749133362 KWASZUIHOWEBRU-SJBKTWHCSA-N 474.631 2.011 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1749175566 IRLPDXGRHOEDCC-PKOBYXMFSA-N 475.615 2.292 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@]2(C)CN(C)C2=O)CC1 1749342785 OQGCFRTYRXCUNP-UUOWRZLLSA-N 474.606 2.467 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1749660369 OBKIJALHVCZIFK-GKVSMKOHSA-N 498.584 2.368 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC(NC(=O)c2ccc(C)s2)CC1 1749676274 KRNCROZOGFFAQX-UHFFFAOYSA-N 479.610 2.335 30 10 JEEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCS(C)(=O)=O)C[C@H]1NC(=O)OC(C)(C)C 1752311688 DDFQDLLIFXQQKE-CRAIPNDOSA-N 474.587 2.211 30 10 JEEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccccc1CN1CC[C@H](O)C1 1760122303 JBUNPQHMCJOKDH-RXVVDRJESA-N 478.622 2.342 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@](C)(O)CCC)[C@@H]1CCS(=O)(=O)C1 1760182423 FQHJPTBXOAURIH-WIYYLYMNSA-N 461.544 2.031 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CC2(S(C)(=O)=O)CC2)CC1 1760255792 PLKSIBBUVMXLOR-UHFFFAOYSA-N 492.443 2.348 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CC2(C(N)=O)CCCC2)CC1 1760264251 GPOBFNYHMWDGNY-UHFFFAOYSA-N 450.587 2.275 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCN([C@H](C)C(=O)NCCCOC)CC2)nnc1C(C)(C)C 1760327000 AUYDOVKCJXEVBH-NJYVYQBISA-N 476.666 2.220 30 10 JEEE C=C(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(CCOCC)[C@H](CC)C1 1760343665 LGDCRLGDWMVKOL-HXUWFJFHSA-N 451.579 2.434 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](Oc2ccccc2)C1 1760346163 KYDRFDIUYOWXNT-PMACEKPBSA-N 461.588 2.235 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCCCO2)n1C[C@]1(O)CCS(=O)(=O)C1 1760499218 ROOKFBYKWPWBGN-NFBKMPQASA-N 460.600 2.304 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(C(=O)OC)CC1 1760515325 CYDICUGPTOTIEX-HNNXBMFYSA-N 462.938 2.262 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1760517111 COCWWSQYQFPWAR-LSDHHAIUSA-N 480.294 2.263 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC(C(=O)Nc2ccc(C)cn2)CC1 1760520378 LOPPKCNWUIWOKM-UHFFFAOYSA-N 460.542 2.201 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(c2c(F)cccc2OC)CC1 1760548889 ROAFNVCVVFZZMM-UHFFFAOYSA-N 451.568 2.477 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(CCOC)[C@H](C)C1 1760551372 CNZBRDPESBPPKW-MRXNPFEDSA-N 486.013 2.495 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3ccccc3n2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1760553218 OKLRQCVEPCVINA-MJGOQNOKSA-N 471.583 2.334 30 10 JEEE CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC[C@H](C)N2CCCCC2)CCO1 1767712194 GPIQRDHUFSRSNC-GHTZIAJQSA-N 451.575 2.032 30 10 JEEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC[C@@H](C)C2)CC1=O 1771149386 CUUCHVBUWVWBDF-UYAOXDASSA-N 452.559 2.460 30 10 JEEE CC(=O)N1CCN(C(=O)Nc2ncccc2OCC(=O)Nc2sc3c(c2C#N)CCC3)CC1 1858814238 UNMYIWNZEGSORJ-UHFFFAOYSA-N 468.539 2.217 30 10 JEEE C=CCNC(=O)[C@H]1C[C@@H](O)CN1C(=O)c1ccc2nc(-c3cc(OC)c(OC)c(OC)c3)[nH]c2c1 1861424069 BQHUZDGRJCEEPR-VQIMIIECSA-N 480.521 2.133 30 10 JEEE N#Cc1ccccc1NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CC[C@@H]1CCS(=O)(=O)C1 1866921461 BWSJTHRAKNWMOJ-UTKZUKDTSA-N 455.536 2.145 30 10 JEEE CSCC[C@@H](NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(=O)N1CCOCC1 1868782148 DSQCNMGVBGFRBE-QZTJIDSGSA-N 450.630 2.121 30 10 JEEE N#Cc1nnn(Cc2cccc(F)c2)c1NC(=O)CCCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 1870110983 RFETYIXVYWBNBQ-UHFFFAOYSA-N 477.412 2.260 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)Nc2nc(C)c(C(=O)OC)s2)cn1CCOC 1870583709 RPKOOLZWEAHLLL-UHFFFAOYSA-N 490.582 2.238 30 10 JEEE C=CCN=c1nc(N2CCN(c3ccc(F)cc3)CC2)[nH]c(=Nc2ccc(OC)c([N+](=O)[O-])c2)[nH]1 1871707197 QTOQMNVMNXNNDZ-UHFFFAOYSA-N 480.504 2.439 30 10 JEEE COc1ccc(-c2nc(C3=C(N)N(CCN4C(=O)CSC4=O)CC3=O)sc2C)c(OC)c1 1872796025 IRZTVWQNPZLCNP-UHFFFAOYSA-N 474.564 2.343 30 10 JEEE C=CCn1c(C(=O)N(CCO)CCO)cc2c(NC[C@H](c3ccccc3)N3CCCC3)ncnc21 1875230856 QBFFIYVMARQWPG-HSZRJFAPSA-N 478.597 2.293 30 10 JEEE CC(C)N1CCN(CC#CCOC2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)CC1 1889758667 LEFHPZAHQDGIAH-UHFFFAOYSA-N 491.654 2.047 30 10 JEEE O=C(NCC#CCN1CCc2ccccc2C1)[C@@H]1CCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 1891933364 MDILPWBEXNLOBE-DEOSSOPVSA-N 496.589 2.316 30 10 JEEE N#Cc1cccnc1N1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc(Cl)c2)CC1 1892213307 BMFKGMFFULFSNP-IBGZPJMESA-N 459.959 2.109 30 10 JEEE C#CCOCCOCC[S@](=O)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 2019046335 RSFIJJPAMXLPLK-HUBRWUETSA-N 485.558 2.393 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@](O)(C(=O)NCc2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2183289854 VWBYECFBNGDFIC-XMMPIXPASA-N 460.380 2.364 30 10 JEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](C)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 2222528719 FIVFJEIJZIWFTH-SAHWJRBASA-N 453.580 2.417 30 10 JEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H]1COC[C@H]1NC(=O)OC(C)(C)C 2255614530 KIYJUNRQIRSYHO-HUUCEWRRSA-N 452.382 2.378 30 10 JEEE CN(C)C(=O)CN(Cc1ccccc1)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2255754336 XZGDUFUHOLIOHX-UHFFFAOYSA-N 464.418 2.326 30 10 JEEE CC(C)(C)OC(=O)NC[C@H](CC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)C1CC1 2256621872 ZXJKSWNXBVAXBG-ZDUSSCGKSA-N 452.386 2.139 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)sc1CNC(=O)[C@@H](CCO)NC(=O)OC(C)(C)C 2256678559 DVQBKLGLLJCSBG-CQSZACIVSA-N 454.398 2.248 30 10 JEEE Cc1csc(CNC(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2256680268 UGTURFLWDFWTNG-CQSZACIVSA-N 454.398 2.248 30 10 JEEE CC(C)(C)OC(=O)N[C@@]1(CO)CCCN(c2nccc(B3OC(C)(C)C(C)(C)O3)c2F)C1 2266072472 NGUUMVHMKHZREH-QFIPXVFZSA-N 451.348 2.376 30 10 JEEE CCO[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)[C@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2267158074 GCMOPKVCCJMUQY-XNRPHZJLSA-N 467.397 2.243 30 10 JEEE Cc1cc(C(=O)N2CCOC[C@@H]2CNC(=O)OC(C)(C)C)oc1B1OC(C)(C)C(C)(C)O1 2267527114 BVESQWKDNUFDOW-HNNXBMFYSA-N 450.341 2.253 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](O)C[C@H]1C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)s1 2268645293 FHYPDUBKAPAXKQ-HOCLYGCPSA-N 466.409 2.424 30 10 JEEE CN1CCN(C(=O)OC(C)(C)C)[C@H](CNc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2269009636 JVDLKSDTFOJNAP-MRXNPFEDSA-N 450.364 2.483 30 10 JEEE Cc1c(C(=O)N2[C@H]3CC[C@@H]2CN(C(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281985333 LJYMXAYSJLYPOM-IYBDPMFKSA-N 460.384 2.252 30 10 JEEE 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)cnn2C)C1 2282042684 DHKSXNORYWWFJZ-HZPDHXFCSA-N 462.400 2.437 30 10 JEEE Cc1cc(S(=O)(=O)NCC2CCN(C(=O)C(F)(F)F)CC2)sc1B1OC(C)(C)C(C)(C)O1 2282304752 OVAGULFMYRCCKR-UHFFFAOYSA-N 496.382 2.435 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@H](CCNC(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)C1 2282514405 CNBKASZKEYYKIA-INIZCTEOSA-N 461.368 2.137 30 10 JEEE Cn1ncc(C(=O)NC[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2282540441 KCQNLIDYKNUNPQ-UXLLHSPISA-N 460.384 2.095 30 10 JEEE Cc1c(C(=O)N2CCC[C@@H]2CN(C)C(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282555250 QJCAKYMAJGTWQI-MRXNPFEDSA-N 462.400 2.499 30 10 JEEE CCO[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2282645695 KIIQHQZMBRUSJH-AEFFLSMTSA-N 463.384 2.458 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NCC1CCN(C(=O)C(F)(F)F)CC1 2282689851 NIGRCKAYYNTZDN-UHFFFAOYSA-N 457.302 2.338 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)CO1 2282710023 INBAIHZAFUUUMO-DOTOQJQBSA-N 461.368 2.040 30 10 JEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1C[C@@H](C)C[C@@H](NC(=O)C(F)(F)F)C1 2282831988 HQOWNMOAHLANBD-WCQYABFASA-N 496.382 2.433 30 10 JEEE CN1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2283949309 XPCIGEBSISTJEL-INIZCTEOSA-N 464.347 2.010 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1NC(=O)[C@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C 2283951595 XWFUIXJROKHIEN-NVXWUHKLSA-N 462.352 2.303 30 10 JEEE CC(C)(C)OC(=O)NC1(C(=O)N2Cc3ccc(B4OC(C)(C)C(C)(C)O4)cc3C2)CC(O)C1 2284048680 MJKDFNZLWJZPOP-UHFFFAOYSA-N 458.364 2.246 30 10 JEEE CC(C)(C)OC(=O)N[C@H](C(=O)NCc1sccc1B1OC(C)(C)C(C)(C)O1)[C@@H](O)C(F)(F)F 2284128744 ITERXOWPYCQYBY-UONOGXRCSA-N 494.341 2.480 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@H](CCC(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)C1 2294990656 CZQLMQRJCZFDIT-HNNXBMFYSA-N 481.424 2.475 30 10 JEEE COc1ccc(NC(=O)[C@H](O)CCNC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2339739323 QQIMRCYYWQUMBD-MRXNPFEDSA-N 450.341 2.209 30 10 JEEE CN[C@H](C#Cc1cnn(CCOC)c1)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2340526263 UIEJASISXDVQOJ-DHIUTWEWSA-N 455.603 2.494 30 10 JEEE Cn1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H]3CCC[C@@H]32)nc1B1OC(C)(C)C(C)(C)O1 2367687890 XRSUGVLGASGYMK-IRXDYDNUSA-N 460.384 2.333 30 10 JEEE C[C@H](CN=c1cc(B2OC(C)(C)C(C)(C)O2)c(F)c[nH]1)N1CCN(C(=O)OC(C)(C)C)CC1 2371998703 QEIABJMTQDOSNL-MRXNPFEDSA-N 464.391 2.295 30 10 JEEE COc1ccc(N2CCN(C(=O)c3cccc(/N=C4/N[C@@H]5CS(=O)(=O)C[C@@H]5S4)c3)CC2)cc1 9860383 OEVZNZBTROSDML-RTWAWAEBSA-N 486.619 2.147 30 10 JEEE CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC#Cc2ccc(N3CCNC3=O)cc2)cc1 96351078 PSBHRTWEPGIBCO-UHFFFAOYSA-N 454.552 2.028 30 10 JEEE C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CCCCN1c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 204870513 CPSRLOMYQNJJOU-AEFFLSMTSA-N 489.426 2.164 30 10 JEEE Cc1nn(-c2ccccc2)c(N(C)C)c1/C=N/Nc1nnc(SCC(=O)Nc2nncs2)[nH]1 253565904 IIDPOSFSGJKAIF-AWQFTUOYSA-N 483.587 2.393 30 10 JEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(-c3ccc(F)cc3)o2)c(=O)n1C[C@H]1CCCO1 603798083 IWAGUXQGKFUMGR-LJQANCHMSA-N 479.533 2.293 30 10 JEEE C=CCNC(=O)CCSc1n[nH]c(NN=Cc2ccc(OC)c(OCn3cccn3)c2)n1 1084177996 XYHBDIQPOFGBBV-UHFFFAOYSA-N 456.532 2.277 30 10 JEEE CCOC(=O)c1c(NC(=O)[C@@H]2CC(=O)N(c3ccccc3OC)C2)c(C#N)cn1CCOC 1125068531 AOWAUHUMAWFTPQ-OAHLLOKOSA-N 454.483 2.183 30 10 JEEE CC#CCS(=O)(=O)c1cccc(C(=O)N(CC(=O)OC)Cc2cc(OC)cc(OC)c2)c1 1142586418 UYEDEQBTHJSPCM-UHFFFAOYSA-N 459.520 2.316 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cn4ccccc4n3)n2CC(=O)N(C)CC)c1 1286311602 OFRWLEGFBHVRKD-UHFFFAOYSA-N 484.564 2.051 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1286388524 QONUOCLFGAYALR-IBGZPJMESA-N 458.975 2.430 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1Cc1ccc(-n2nc(C)cc2C)nc1)[C@@H]1CCS(=O)(=O)C1 1286394339 NZNLUGGAFALRSW-OAQYLSRUSA-N 481.626 2.349 30 10 JEEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(=C)Br 1286466941 MGXCJNWXLZFWJA-UHFFFAOYSA-N 460.380 2.447 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CC2CCN(CCC(C)C)CC2)CC1 1286490525 MTYZTTFZPMHNHA-UHFFFAOYSA-N 478.645 2.459 30 10 JEEE C#CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@](C)(C(=O)NC)C1 1286496895 JRIKHHWYPUWWPP-IBGZPJMESA-N 465.421 2.375 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCOC2)n1Cc1ccccc1S(=O)(=O)N(C)C 1286526052 OVDFSIFDPHSUGV-AUSIDOKSSA-N 457.600 2.463 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2cnc(C)s2)CC1 1286547342 OJCJWVWGHZEAQD-UYAOXDASSA-N 473.647 2.485 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1286608405 PQAXZDGXBVWTNZ-GOSISDBHSA-N 490.586 2.008 30 10 JEEE C=CC[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(N)=O)C1)c1ccccc1 1286678931 HJMDZTJBKBPEEA-HSALFYBXSA-N 457.600 2.242 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CC[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 1288169057 CTFMRMRXSOQNMS-CEMLEFRQSA-N 465.602 2.446 30 10 JEEE CC(C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCCO2)CC1 1288248571 AQDKMXSHEQDOFB-OAQYLSRUSA-N 451.575 2.032 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OCCCC)c(OC)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1300290633 OCTQRYKZAVJAJZ-SBUREZEXSA-N 476.599 2.140 30 10 JEEE C#CCCCCn1c(N2CC[C@H](N3CCN(C(C)C)CC3)C2)nnc1[C@]1(OCC)CCOC1 1300375745 BWPZJFIXLLQWDS-DHLKQENFSA-N 458.651 2.338 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1CC1(SC)CC1)[C@@H]1CCS(=O)(=O)C1 1300483853 OJCJQCYJXRSGJZ-QGZVFWFLSA-N 476.624 2.485 30 10 JEEE C#CCN(c1nnc(-c2ccccc2F)n1CCNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1300487536 KKMBQTPLJCGEBG-MRXNPFEDSA-N 477.562 2.236 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1cccnc1OCC(F)F)[C@H]1CCS(=O)(=O)C1 1300488304 QGYLEQXCHSFSDS-SFHVURJKSA-N 488.520 2.054 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1CC(C)(C)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 1300488305 QKBXSOFACJUDBA-IBGZPJMESA-N 456.616 2.231 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCCCCOC)[C@H]1CCS(=O)(=O)C1 1300489134 JGPLWPRFLARBCC-KRWDZBQOSA-N 451.980 2.437 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@@H]1CCC[C@@H]1OC)[C@H]1CCS(=O)(=O)C1 1300504273 KYCVGUFNUYKQBM-BJLQDIEVSA-N 476.574 2.438 30 10 JEEE C#CCN(CC#CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1Cc1cnnn1C 1300578077 HACLZTQANDGFBE-UHFFFAOYSA-N 452.563 2.032 30 10 JEEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CCOC)[C@@H](C)C1 1300952576 YTPGVBUAJHCMCF-RBUKOAKNSA-N 464.611 2.320 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](OCCC)CC1 1301043874 FCSHMWRECQOHIC-SJORKVTESA-N 462.016 2.149 30 10 JEEE C=CCN(CC=C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C 1301371486 DCAGDLMLIZICCI-IRXDYDNUSA-N 468.624 2.466 30 10 JEEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 1301510162 UKHYXRSPDPRTPG-SFHVURJKSA-N 476.940 2.073 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2cccc(S(=O)(=O)NC)c2)C1 1301556649 ITUAHSKFNQVQBK-ICSRJNTNSA-N 461.588 2.257 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC2(O)CCOCC2)C1 1301567249 GBTPINFOICIWFJ-CEXWTWQISA-N 477.606 2.372 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(c2nc(C)c(C)s2)CC1 1301588844 KPBQKPJPZGGBDF-SFHVURJKSA-N 480.660 2.173 30 10 JEEE CC(C)(C)NC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2ncccn2)CC1 1302210676 IBPPBBVJDYTMJA-UHFFFAOYSA-N 489.584 2.150 30 10 JEEE CC[C@H](C)[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C)OC 1305351092 DFYAJWJVSGPCKJ-DMUMMCEESA-N 454.579 2.220 30 10 JEEE CNC(=O)CC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCOC[C@@H]2OC)CC1 1315023291 CEGXHNTUTAAJKH-IRLDBZIGSA-N 482.585 2.133 30 10 JEEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CC[C@@H](C(F)F)N1CCOCC1 1358896383 BYNHFWKCEPXUTL-HOTGVXAUSA-N 466.558 2.084 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1CCCN1CCN(c2ccccc2)CC1)[C@@H]1CCS(=O)(=O)C1 1358964355 XROKSPFXBGYGAD-XMMPIXPASA-N 498.697 2.316 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H](C)c1nc(C)cs1)[C@@H]1CCS(=O)(=O)C1 1358967040 CARFPEBUMWKOHR-KANFNMMFSA-N 493.655 2.197 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(NC(=O)C2CCCC2)c1 1358978094 CWFXZZLQOCQKTR-NRFANRHFSA-N 479.606 2.430 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2Cc2nccs2)CC1 1359046121 FYFXHLMKIHBLOZ-UHFFFAOYSA-N 450.568 2.348 30 10 JEEE C=CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1359283103 ROBVQJANVFUJSB-UHFFFAOYSA-N 460.542 2.154 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1359304819 KRRMVFZEHPDPKK-JOCHJYFZSA-N 481.645 2.072 30 10 JEEE CC(C)(C)OC(=O)N1CCCO[C@H](CNC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C1 1470144609 AMRGTOLXPSPEJB-NHCUHLMSSA-N 457.575 2.432 30 10 JEEE N#C[C@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cc(Cl)ccc2OC(F)F)CCO1 1505321668 DHVVMJFESNAPKL-UONOGXRCSA-N 452.849 2.261 30 10 JEEE C#CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCS(=O)(=O)C1 1507618778 DLZMMKPQVGURFD-SJORKVTESA-N 451.593 2.244 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1cccnc1OCCC)[C@@H]1CCS(=O)(=O)C1 1507631700 RWADNVGTAKDHQX-GOSISDBHSA-N 454.556 2.132 30 10 JEEE C#CCN(c1nnc(C2CC2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1507631917 UYYTZRZSUAWXSX-NVXWUHKLSA-N 451.593 2.038 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1Cc1ccc(C(=O)N(CC)CC)cc1)[C@@H]1CCS(=O)(=O)C1 1507635157 PYYZUPLCPNSOCP-JOCHJYFZSA-N 483.638 2.388 30 10 JEEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 1507641184 ZLBBYWMFPQHSDB-QGZVFWFLSA-N 456.524 2.134 30 10 JEEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2C[C@](C)(O)c2ccc(F)cc2)CC1 1507729247 ZLLHQHCDIVKIEK-QHCPKHFHSA-N 454.575 2.436 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@]2(C)CCCS2)CC1 1507733621 GFVWIRDQRRWASC-QHCPKHFHSA-N 467.599 2.177 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CC(O)(CC)CC)CC1 1507738799 YWORRRSFPIEUQO-UHFFFAOYSA-N 477.569 2.111 30 10 JEEE C=C(Br)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@H](C)CS(=O)(=O)CC 1507775031 GQGCAAYMZNQVDY-CYBMUJFWSA-N 471.381 2.093 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)Oc2ccccc2)CC1 1507884942 ODDDVQYGPJPCJM-QUCCMNQESA-N 461.588 2.235 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1508149154 OKUPEZPVBRJFMR-MBSDFSHPSA-N 494.589 2.371 30 10 JEEE CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](c2ccsc2)N(C)C)CC1 1515993369 BQRQOQDAPKERPV-QFIPXVFZSA-N 492.653 2.439 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H](CC)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1539222359 VNWNBXLVUATFME-QYZOEREBSA-N 495.646 2.102 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCS(=O)(=O)NC 1539299069 DUHRPLDENVAYJI-UHFFFAOYSA-N 464.595 2.365 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@]1(C)CN(C)C1=O 1539324700 XKRYVQUTEZIJCU-UQBPGWFLSA-N 468.602 2.334 30 10 JEEE C#CCSCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1539498265 UQZSMYMPKDQWOH-KRWDZBQOSA-N 490.536 2.386 30 10 JEEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1539579423 LUIZYROLWCPQRX-MSOLQXFVSA-N 472.428 2.459 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CC)C[C@@H]1COc2ccccc2O1 1539751523 OSBKPNSLJRRSOP-RTBURBONSA-N 476.599 2.439 30 10 JEEE CC(C)N(CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](C#N)C1)C(C)C 1541615972 APJFPFJIPHWZPW-IBGZPJMESA-N 460.604 2.196 30 10 JEEE COCC(=O)N1C[C@H](C(=O)N(C)C)C2(CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)C1 1548377320 YRNQPEGIISYKMI-GOSISDBHSA-N 452.477 2.357 30 10 JEEE COCCn1c(COc2cc(C)ccc2C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1555566715 CXJJCLLOPVFBCS-LJQANCHMSA-N 462.558 2.497 30 10 JEEE N#Cc1ccc(C2=CCN(c3nnc(C(=O)N4CCCC4)n3CC(=O)NCC(F)F)CC2)cc1 1555987397 GHPWSJCFUURERZ-UHFFFAOYSA-N 469.496 2.061 30 10 JEEE C[C@@H](CN1CCN(c2ccccn2)CC1)NS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F 1561278350 GMZUPMVYOUSPOP-HNNXBMFYSA-N 453.490 2.461 30 10 JEEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CCc1ccccc1C)[C@@H]1CCS(=O)(=O)C1 1588034751 LHXKLTSZAZMXPZ-ZJSXRUAMSA-N 472.611 2.108 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCCN1CCCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1588053578 FWAAMTDOYFFMAK-PWRODBHTSA-N 463.648 2.063 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2CC[C@@H]2COCCO2)CC1 1588742756 USIGFJJYUATPDH-NZQKXSOJSA-N 469.586 2.378 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2CCn2cc(Cl)cn2)CC1 1588762580 LSDSAXKUQSAEEU-UHFFFAOYSA-N 477.798 2.351 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2csc(-c3ccco3)n2)CC1 1588884506 CRNYSWIHGJURHE-UHFFFAOYSA-N 481.582 2.147 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)c1ccc([S@@](C)=O)cc1 1589068639 CGNGVPSVDJIZMR-ZINNWBBGSA-N 480.681 2.481 30 10 JEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1ccc(OC)cc1OC 1595405807 YXXHEOPUEULXDG-QUCCMNQESA-N 477.587 2.156 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CCC(C(=O)NC)CC1 1595501510 WNELEAZNZHBNCB-UHFFFAOYSA-N 467.393 2.034 30 10 JEEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCCO[C@@H](C)C1 1595543954 CLJFRLRXASSLHR-KRWDZBQOSA-N 462.595 2.310 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@H](C)[C@H]2C)cc1 1595613304 BZCWFFXNWUKGIA-UEXGIBASSA-N 475.615 2.459 30 10 JEEE CCN(CCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2CC[C@H]1C2)S(C)(=O)=O 1615625167 DPHLHGCGBVINAM-OALUTQOASA-N 458.588 2.389 30 10 JEEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN(Cc3cc(OC)cc(OC)c3)CC2)c1 1621890060 ODYCGWDECKBACE-UHFFFAOYSA-N 459.568 2.126 30 10 JEEE C[C@H]1CN(Cc2ccccc2)C[C@@H](C)C1NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1622058132 IFXXPHXEHJIPSE-NHJWOMDBSA-N 454.596 2.388 30 10 JEEE C=C(C)C[C@@H](CO)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1 1643543656 YOUUMAHNRGBCPN-OLZOCXBDSA-N 451.408 2.355 30 10 JEEE C=C(C)C[C@@H](CO)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1 1643543658 YOUUMAHNRGBCPN-STQMWFEESA-N 451.408 2.355 30 10 JEEE N#Cc1cc(Cl)ccc1S(=O)(=O)N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1 1653579095 BEMMLPFMPUVOQF-UHFFFAOYSA-N 457.936 2.482 30 10 JEEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)c1cc(Cl)cc(C(N)=O)c1 1671511282 WXCARNJINRZVDZ-UHFFFAOYSA-N 455.964 2.462 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CC2CCC(OC)CC2)c1 1689870308 JQRQNKKPDBMKRX-MNLRITNHSA-N 464.570 2.491 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CCN1CCCC(C)(C)C1)[C@H]1CCS(=O)(=O)C1 1689994161 SIMVLODNAPHYHE-NRFANRHFSA-N 470.643 2.013 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CC[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1689997067 VFZYRRPLADAEAB-VQTJNVASSA-N 458.584 2.219 30 10 JEEE C#CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCC1CCOCC1 1690095433 QBQFZHSSRQKFBZ-UHFFFAOYSA-N 474.631 2.449 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(OC)cc(OC)c2)n1Cc1ncnn1C(C)(C)C 1690095645 YFFMACKOXUKJOM-UHFFFAOYSA-N 453.547 2.443 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCN2CCN(C)C(C)(C)C2)CC1 1690115899 WJLKXESSMCUCDR-UHFFFAOYSA-N 456.038 2.380 30 10 JEEE C#CCN1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CC(C)(C)CCOC)CC1 1690120005 BJWXUMRZZDMZAO-UHFFFAOYSA-N 473.647 2.056 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCOc2ccccc2C(C)C)CC1 1690124160 GSYAXXKPFAJQSC-FQEVSTJZSA-N 471.627 2.138 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)(C)NC(=O)OC(C)(C)C 1690189793 BUBXEPHFGHREFG-QVKFZJNVSA-N 468.624 2.184 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCCCS1(=O)=O 1690196322 GZNHNSUCWYBKCU-DENIHFKCSA-N 476.624 2.308 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1690242639 AFROVTPGNWRSOR-UGKGYDQZSA-N 455.607 2.245 30 10 JEEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C)C2(CCC2)C1 1690313021 JSTWIJNGESBSTR-OALUTQOASA-N 467.636 2.220 30 10 JEEE C=CCC(C)(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C)C(=O)C1 1690422547 SBOWGHMVPVQSDP-UHFFFAOYSA-N 460.604 2.076 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1690670699 HHWSVPKDFAVIST-RCCFBDPRSA-N 462.595 2.214 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)Cc1cnn(C)c1C 1690722213 BEGLNGDWBSQTED-UHFFFAOYSA-N 480.598 2.410 30 10 JEEE C#C[C@H](C)N(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 1705495765 UZDMRZJCKKHPID-VPAKFMSCSA-N 477.631 2.141 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCc1nnc(C)s1)[C@H]1CCS(=O)(=O)C1 1705570436 NLJCBDGORMSUNL-SFHVURJKSA-N 474.587 2.037 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(F)ccc2Br)n1C[C@H]1CCCN1S(C)(=O)=O 1705575707 UMTIVBGCTSRLEU-MRXNPFEDSA-N 494.390 2.344 30 10 JEEE C#CCN(CC#CC)c1nnc(COc2ccccc2OCC)n1C[C@H]1CCS(=O)(=O)C1 1705602242 NBZLNXCAWQCGJU-LJQANCHMSA-N 456.568 2.153 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)N(C)Cc2ccccc2)CC1 1705632613 WKTDIZFLZZBVTO-NRFANRHFSA-N 472.597 2.201 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCC2CC(OCC)C2)CC1 1705642386 RVLKYQKSALXFKG-UHFFFAOYSA-N 456.616 2.230 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Br)n2CC(=O)NCC2CC2)CC1 1705646511 ZTOGMXNGRKBETK-UHFFFAOYSA-N 499.413 2.200 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC(CN2CCOCC2)CC1 1705898719 VQGBPYFOUVJIBS-UHFFFAOYSA-N 489.020 2.458 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCCN(C(=O)c2ccsc2)CC1 1705899967 LUZVOPXBTHDXOO-UHFFFAOYSA-N 451.556 2.056 30 10 JEEE C=CCNC(=O)Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCN2C(=O)OC[C@@H]2C1 1705907836 ZICRVYMGNKDVMO-SFHVURJKSA-N 488.976 2.195 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCN(c2ncccc2C#N)CC1 1705931017 CDGXAKXPBLBHIE-UHFFFAOYSA-N 493.593 2.148 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCN(c2ccc(F)cn2)CC1 1705933574 LSQGWRAZYMFEQZ-UHFFFAOYSA-N 460.535 2.308 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1705935473 SGRROQBDCIBPOB-UHFFFAOYSA-N 490.630 2.009 30 10 JEEE CC(=O)N1CCC(Cn2c(CC(C)C)nnc2N2CCN(c3cc(C#N)ccn3)CC2)CC1 1705968887 COBYNVPQIDAALC-UHFFFAOYSA-N 450.591 2.328 30 10 JEEE CNC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC[S@](=O)C(C)(C)C)C1 1711347698 FCNPDWKOFPYTGN-GDTDKIKOSA-N 472.615 2.238 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2C[C@@H]2CCC[C@@H](O)C2)c1 1722307875 XYTIKQAYTQZZQM-TZIWHRDSSA-N 464.570 2.008 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3csc(C)n3)n2CC(=O)N(C)CC)c1 1722307946 ZOCJQBVCZIPJSC-UHFFFAOYSA-N 465.583 2.168 30 10 JEEE C#CCCCn1c(-c2cccn2C)nnc1N1CCCN(Cc2nc([C@@H](C)OC)no2)CC1 1722331317 COUNSMGGFLHOBX-GOSISDBHSA-N 452.563 2.500 30 10 JEEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 1722341686 LXXAXJKWTMIOAX-JBACZVJFSA-N 479.647 2.246 30 10 JEEE C#CCN(c1nnc([C@@H](C)OCCOC)n1Cc1nc(C(C)(C)C)cs1)[C@@H]1CCS(=O)(=O)C1 1722363676 HDMZKALDBGLQSI-IAGOWNOFSA-N 495.671 2.431 30 10 JEEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCNC(=O)c1cccc(O)c1 1722412113 VORIZOUDCDFPBR-UHFFFAOYSA-N 488.596 2.437 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H](C)Oc2ccc(OC)cc2)CC1 1722433221 PUTOPCAKINBNSN-CPJSRVTESA-N 469.586 2.162 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CCCN2CCCCCC2=O)CC1 1722449569 VDXCGVCCBOGPTE-UHFFFAOYSA-N 477.613 2.022 30 10 JEEE C#CCSCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1722454142 IVPHTEYBCLAKQX-KRWDZBQOSA-N 464.613 2.342 30 10 JEEE C#CCSCCn1c(N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)nnc1[C@]1(OCC)CCOC1 1722464434 GEMDUKGGJXCVSX-JPYJTQIMSA-N 495.646 2.027 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1722509930 RFPSIZNXCICYMB-WOZUAGRISA-N 493.674 2.150 30 10 JEEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1722589575 UOPWJWSZCLYHEI-UHFFFAOYSA-N 465.602 2.428 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1CCS(=O)(=O)CC1 1722658759 JNDJFHRDWXGBRK-INIZCTEOSA-N 499.634 2.045 30 10 JEEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(-n2ccnc2C)nc1 1722673701 BCXZQWAHBKOENP-UHFFFAOYSA-N 450.547 2.090 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1722732055 UGVKIZSSOXYXDC-AZUAARDMSA-N 470.599 2.002 30 10 JEEE CCN(CC)[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1)c1ccco1 1728373794 GJUGPMWKWSZUGY-AEFFLSMTSA-N 463.608 2.304 30 10 JEEE C#CCCCn1c(COc2ccc(Br)cc2)nnc1N1CCN(C(=O)COC)CC1 1740595380 SDFHGANCPJVOLX-UHFFFAOYSA-N 476.375 2.328 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(SC)CCC1)[C@H]1CCS(=O)(=O)C1 1740617650 UYHYGHICDCVZBH-AVRDEDQJSA-N 482.672 2.231 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1Cc1cnc(C)s1)[C@H]1CCS(=O)(=O)C1 1740625075 NPNAFWMBZYLLPV-INIZCTEOSA-N 462.626 2.074 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccnc(OCC(F)(F)F)c1 1740644520 JRJXFVLVRSMTBJ-HKUYNNGSSA-N 463.460 2.459 30 10 JEEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@]1(N(C)C)CCSC1 1740670496 QKOUWIDLUNYFQQ-HSZRJFAPSA-N 454.648 2.349 30 10 JEEE C=CC[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](OC)[C@H](OC)C1)c1ccccc1 1740856802 XJXWPDAILLOMRG-MHTWAQMVSA-N 460.600 2.390 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1740960858 DNLBUAVOICCRJN-FPOVZHCZSA-N 473.021 2.372 30 10 JEEE Cc1nn(C)c(N2CCN(c3nnc(-c4ccccc4F)n3CCCC(=O)N(C)C)CC2)c1C#N 1742668811 FFELBFHTGFPBRD-UHFFFAOYSA-N 479.564 2.193 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1Cc1c(C)noc1C 1744086243 DNPSEXQISZIPIH-UHFFFAOYSA-N 477.573 2.443 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1cccc(CN(C)CC)c1)[C@H]1CCS(=O)(=O)C1 1748812081 PJICGWOLDJUQJY-QHCPKHFHSA-N 478.622 2.467 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccccc2OC)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1748838733 DUWVQUCXNRNWEB-PZJWPPBQSA-N 467.595 2.231 30 10 JEEE C#CCN(CC#CC)c1nnc(COc2cccc(C)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1748901285 VZGWJJDNCVIRND-VHXPQNKSSA-N 458.522 2.155 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(C)C)n1C[C@]1(C)CN(C2CC2)C1=O 1748940248 GMYYNZFVVGGMGE-DEOSSOPVSA-N 452.534 2.206 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccc(C)n3)n2CC2CCN(C(C)=O)CC2)n1 1748971043 BDZKAOFQSDGWOX-UHFFFAOYSA-N 490.612 2.390 30 10 JEEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CCc2ccc(OC)c(OC)c2Cl)CC1 1748987412 XCHVDNTUIRLNOV-UHFFFAOYSA-N 467.961 2.404 30 10 JEEE C#CCN1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CC[S@](=O)C(C)(C)C)CC1 1748987577 YFFBTSLITQTBQS-XIFFEERXSA-N 465.627 2.433 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2cccc(O)c2)CC1 1749003651 QSNIWTCVJMVWTD-VWLOTQADSA-N 467.570 2.038 30 10 JEEE C#CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC(S(C)(=O)=O)CC1 1749020682 ZMLIDMHTCIOPNU-UHFFFAOYSA-N 496.058 2.241 30 10 JEEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1749028560 BNFHYNKFYOFKAV-UHFFFAOYSA-N 472.640 2.481 30 10 JEEE C=C(C)COCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1749219451 HWURHPCZALZFNC-UHFFFAOYSA-N 477.587 2.127 30 10 JEEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 1749222219 CXUKURXOZKKKHB-GOSISDBHSA-N 452.515 2.399 30 10 JEEE C=C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCS(=O)(=O)N2CCSCC2)CC1 1749288262 OQTVMAOAKAUUML-UHFFFAOYSA-N 493.655 2.497 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(N2CCOCC2)c1 1749575311 PSAOQTRBIKCRPB-FQEVSTJZSA-N 457.600 2.244 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 1749658413 KAIILMQIMQRBIQ-UHFFFAOYSA-N 452.515 2.449 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCC(NC(=O)C2CC2)CC1 1749724562 LLWFFEGWNXFTFZ-UHFFFAOYSA-N 473.599 2.050 30 10 JEEE C=CCS(=O)(=O)CCn1c(CSc2ccc(C)cc2)nnc1N1CC[C@](C)(C(N)=O)C1 1749740486 VXAXKKFKWVDRQO-NRFANRHFSA-N 463.629 2.181 30 10 JEEE C=CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H](C)CC(N)=O 1749755690 JXUASGOQGPGFJS-HOTGVXAUSA-N 468.624 2.206 30 10 JEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](c2ccsc2)O[C@H](C)C1 1760137942 OHGYWHYDWBYMOD-RLLQIKCJSA-N 493.655 2.442 30 10 JEEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H](c1ccc(C)cc1)N1CCOCC1 1760165081 ISJRVJPEMZDSLZ-DHLKQENFSA-N 453.587 2.382 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1Cc1ccc(F)cn1)[C@@H]1CCS(=O)(=O)C1 1760185168 RCTZYEDHXCUVLL-GOSISDBHSA-N 485.541 2.171 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CCC(=O)N[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1760186007 ITLJNWDVXFMIOC-IAGOWNOFSA-N 493.580 2.079 30 10 JEEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1CCc1ccn(C)n1)[C@H]1CCS(=O)(=O)C1 1760191280 DVZNHUSYEQPMRO-NRFANRHFSA-N 482.610 2.077 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1CCN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1760191790 NHSOBMCBBVBFQA-NRFANRHFSA-N 471.627 2.278 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1760200108 UNGKMCWRJDDTCT-FGZHOGPDSA-N 462.579 2.094 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccnc(OC2CCCC2)c1 1760206331 WSASWKZDNUPKHL-LJQANCHMSA-N 453.568 2.018 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccnc3)n2CCN(C(=O)OC(C)(C)C)C2CC2)CC1 1760258091 PJGZCPOVBBWETN-UHFFFAOYSA-N 451.575 2.495 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H]2CCCN(C(C)C)C2)CC1 1760269435 ILDKPUFSKGOFPH-RBBKRZOGSA-N 456.635 2.258 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H]2CCO[C@H](C)C2)CC1 1760271906 QQVWSCHUMGDEOE-SJLPKXTDSA-N 456.616 2.415 30 10 JEEE C=CCN(CCOC)c1nnc(-c2ccc(Br)s2)n1C[C@@]1(O)CCN(C)C1 1760502130 OVVYPYOXOVKRTO-GOSISDBHSA-N 456.410 2.475 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCC(O)(C(F)(F)F)CC1 1760527919 MFPUICPIGOGLGO-UHFFFAOYSA-N 469.464 2.062 30 10 JEEE C=CCOc1ccc(Cn2c(Cn3nc(C)cc3C)nnc2N(C)CC(=O)N2CCOCC2)cc1 1760531513 RGRRFOSMXXVDJS-UHFFFAOYSA-N 479.585 2.048 30 10 JEEE C[C@H]1CCC[C@@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1762832208 FGMQGWMGWYBIKQ-GAJHUEQPSA-N 472.615 2.228 30 10 JEEE CC[C@@H]1CCCCN1CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)COC)CC1 1765096209 CINKEKSLCPUEHJ-JOCHJYFZSA-N 465.602 2.376 30 10 JEEE COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cc(C)nn2C)C[C@H](C)O1 1770960269 GVEUBHUYOKZMLG-LAUBAEHRSA-N 451.531 2.059 30 10 JEEE COc1ccc(S(=O)(=O)[C@@H](CNS(=O)(=O)c2ccccc2C#N)c2cccnc2)cc1 1858064951 CJCZGMVFJLOZIP-NRFANRHFSA-N 457.533 2.455 30 10 JEEE O=C(C1=C(O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccc2c(c1)OCCO2)c1ccc2c(c1)OCO2 1862630797 BPSWWAAKADKZKD-QHCPKHFHSA-N 494.500 2.097 30 10 JEEE C=CCOc1ccccc1[C@H]1C(C(=O)NCCCN2CCOCC2)=C(N)Oc2c1c(CCC)nn2C 1864320354 QARCLOZWCCTLLR-JOCHJYFZSA-N 495.624 2.471 30 10 JEEE COCCCN1C(=O)c2ccc(C(=O)Nc3c(C#N)nnn3Cc3ccccc3C)cc2C1=O 1870107082 RFVSKTJVWDDKRJ-UHFFFAOYSA-N 458.478 2.391 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)COc2cn(Cc3cccnc3)c(CN(C)C)cc2=O)nc1C 1870323041 FCZCHJDLGJHIQQ-UHFFFAOYSA-N 497.577 2.478 30 10 JEEE O=c1c(Cl)c(N/N=C/c2ccc(O)c(Br)c2)cnn1[C@@H]1CCS(=O)(=O)C1 1873529789 ZBVPBMPYOOTGLJ-KNSSQWPOSA-N 461.725 2.170 30 10 JEEE COc1cccc(/C=N/n2c(CNC(C)=O)nnc2SCC(=O)Nc2ccccc2)c1O 1874431390 QYHCIUQHURLKOI-FOKLQQMPSA-N 454.512 2.241 30 10 JEEE CN1CCN(CC#CCOC2CCN(C(=O)Cc3cccc(OC(F)(F)F)c3)CC2)CC1 1889450295 UANUDGLKUARYNZ-UHFFFAOYSA-N 453.505 2.386 30 10 JEEE COc1cncc(O[C@@H]2CCN(C(=O)[C@@H]3SCC(=O)N(C(C)C)[C@@H]3c3ccc(C#N)cc3)C2)n1 1891486515 ARIFRZJWEGCKPX-SXSPYAJSSA-N 481.578 2.430 30 10 JEEE CN(C)CCN(CC(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)C(=O)OC(C)(C)C 2185167680 MYZCNUCOTZLZQX-UHFFFAOYSA-N 461.412 2.401 30 10 JEEE Cn1ncc(I)c1CNC(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2199692788 HNCCZTWKVKMSRT-UHFFFAOYSA-N 467.116 2.254 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N(C)C[C@@H]2COCCN2C(=O)OC(C)(C)C)C1 2255191837 HJQJVAYNLKXGAY-WCCYLALTSA-N 451.564 2.387 30 10 JEEE CN(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)[C@@H]1CC[C@@H]1NC(=O)OCc1ccccc1 2255653043 CYRCESBRPUWBJR-RBUKOAKNSA-N 468.363 2.249 30 10 JEEE CC1(C)OB(c2ccsc2S(=O)(=O)NC2[C@H]3CN(Cc4ccccc4)C[C@H]23)OC1(C)C 2255949103 SYDLABSZDLWMFC-IRXDYDNUSA-N 460.430 2.456 30 10 JEEE CC(C)(C)OC(=O)N1CCCC[C@]1(C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2256619107 VRMDIQHOTUSMDY-HXUWFJFHSA-N 452.386 2.377 30 10 JEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O 2267137104 KOQMBBIPBVHQMT-GDBMZVCRSA-N 466.409 2.313 30 10 JEEE CC(C)C[C@@H](CNC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1)NC(=O)OC(C)(C)C 2267171351 IVVPVXHICAFGCP-HNNXBMFYSA-N 450.389 2.389 30 10 JEEE CC(C)(C)OC(=O)NCCCONS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2267364513 AFOPSJAYUNEYQF-UHFFFAOYSA-N 474.360 2.250 30 10 JEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCC[C@H](OCc2ccccc2)C1 2267370239 JGCUSPMKPPHLOS-SFHVURJKSA-N 461.393 2.089 30 10 JEEE CC(C)(C)OC(=O)N1CC(CNS(=O)(=O)Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2267465096 MGTPLRVJDBBYQI-UHFFFAOYSA-N 466.409 2.272 30 10 JEEE C[C@@H]1CN(S(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)C[C@H]1NC(=O)OC(C)(C)C 2267474221 QUCILGMWGYONAG-ZIAGYGMSSA-N 487.453 2.117 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2occc2B2OC(C)(C)C(C)(C)O2)[C@](C)(CO)C1 2267495277 ZHLUWULUNMTWNX-QFIPXVFZSA-N 450.341 2.023 30 10 JEEE Cc1csc(CNC(=O)[C@H]2C[C@H](O)CN2C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2268634968 MEEMMTONGYTUKZ-LSDHHAIUSA-N 466.409 2.342 30 10 JEEE C[C@@H](c1nscc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)C[C@H](O)CNC(=O)OC(C)(C)C 2268641581 BXIRTPSEJQHUMK-KBPBESRZSA-N 469.413 2.237 30 10 JEEE CC(C)(C)OC(=O)N[C@H](Cc1cnc[nH]1)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2268656237 UZMLHVVXMXRSLN-CYBMUJFWSA-N 463.369 2.240 30 10 JEEE Cn1cc(C(=O)NC[C@H]2C[C@H]3CC[C@H]2N3C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2281971256 IXSVMYASSPPWRV-BFYDXBDKSA-N 460.384 2.237 30 10 JEEE CO[C@](C)(CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nn(C)c1C)COCc1ccccc1 2281987978 GHSJFMSJRGLNQS-XMMPIXPASA-N 457.380 2.379 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)n1 2282046833 QGZXNEMEIPOCHG-VQTJNVASSA-N 450.392 2.313 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CN(C(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)CC[C@@H]1CO 2282180612 VPOCJVJNIMXRQC-MJGOQNOKSA-N 460.380 2.334 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CNS(=O)(=O)c3cccc(B4OC(C)(C)C(C)(C)O4)c3)[C@@H]2C1 2282346199 UIGVLFVOFHJVKY-LDLYASANSA-N 478.420 2.377 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](O)CN1C(=O)c1c(F)cccc1B1OC(C)(C)C(C)(C)O1 2282466836 GVQOAIQTDBEGHF-HUUCEWRRSA-N 464.343 2.225 30 10 JEEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)N(C(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C1 2282551662 LHPIFLFWEIEOBH-HZPDHXFCSA-N 462.400 2.437 30 10 JEEE CC[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2282577952 LPXMLSICLBCVHM-RDJZCZTQSA-N 462.400 2.485 30 10 JEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2CCCCCN2C(=O)OC(C)(C)C)n1 2282616404 AUVDZJJEPLXRTE-HNNXBMFYSA-N 463.388 2.024 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)N1Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C1 2283983331 IYRLSPZKVNENML-LJQANCHMSA-N 458.364 2.464 30 10 JEEE C[C@@H](c1nscc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 2284044972 HOWQNIHPXGDJMT-FPTDNZKUSA-N 481.424 2.334 30 10 JEEE CO[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C1 2284047937 HXKJJQWMIJHNQW-GJZGRUSLSA-N 481.424 2.473 30 10 JEEE CC(C)(C)OC(=O)N1CCC(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)(C(F)F)CC1 2289993562 RQLGIELPCVXERB-UHFFFAOYSA-N 488.366 2.480 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@H](CCC(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2294992018 QKJZOBCQMUDNJB-INIZCTEOSA-N 462.356 2.130 30 10 JEEE CC[C@@H](CN(C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nc(C)n1C)NC(=O)OC(C)(C)C 2337189521 CBGBYSLTEKBZFC-HNNXBMFYSA-N 450.389 2.403 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H]2COC[C@@H](C1)N2C(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2362573086 BLKIDPRPHAMONV-LSDHHAIUSA-N 479.408 2.293 30 10 JEEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@@H](CCO)COCc3ccccc3)cc2F)OC1(C)C 2369629690 OVIVLJNEIABWCG-SFHVURJKSA-N 479.379 2.371 30 10 JEEE CN(Cc1ccc(Cl)s1)C(=O)CN1CCN(S(=O)(=O)c2ccccc2C#N)CC1 15445448 LUGVKCBRVMWKRC-UHFFFAOYSA-N 452.989 2.238 30 10 JEEE O=S(=O)(ON(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1)c1ccccc1 39212177 TWBNJDNHDDKCRY-UHFFFAOYSA-N 453.519 2.387 30 10 JEEE CN(C)CCCN1C(=O)C(=O)/C(=C(\O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@@H]1c1cccs1 102696551 UEVJSDYCGBLCGB-HQMFNGAOSA-N 477.608 2.372 30 10 JEEE COCCN1C(=O)C(=O)/C(=C(\O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@@H]1c1ccccc1F 111277449 AJGCVZKNRYCLQD-HQMFNGAOSA-N 462.499 2.144 30 10 JEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CC(=O)N(c3cccc(OC)c3)C2)cc1 513985461 OUFVHPIDAJECFR-QGZVFWFLSA-N 458.540 2.429 30 10 JEEE C#CCn1nc(CNC(=O)[C@H]2CC(=O)N(c3cccc(Br)c3)C2)c2ccccc2c1=O 585170424 DLDPNQHVUSZJSU-HNNXBMFYSA-N 479.334 2.462 30 10 JEEE CCOC(=O)[C@H]1CCCN(C(=O)C(/C=C2\C(=O)ONN2c2ccccc2)=NC(=O)c2ccccc2)C1 585673779 SESOZAYXXBNGHU-VQFSBIBYSA-N 490.516 2.436 30 10 JEEE N#Cc1c(NC(=O)C[S@](=O)CC(=O)Nc2nnc([C@H]3CCCO3)s2)sc2c1CCC2 586298222 JCRMTXYBOIKPLG-SSUCQYSQSA-N 465.582 2.137 30 10 JEEE CCOCCOCCOC(=O)C[S@@](=O)CC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 586298585 HBGNHCBTKJVKFI-WYIRRWHOSA-N 456.586 2.028 30 10 JEEE C=CCn1c(SCC(=O)NS(=O)(=O)c2ccc(CNC(C)=O)cc2)nc2ccccc21 1164498465 VUFJKPZCJDHVNP-UHFFFAOYSA-N 458.565 2.456 30 10 JEEE C#CCn1ccc(CN(CCOC)C(=O)[C@H]2CC(=O)N(C3CC3)[C@H]2c2cccc(OC)c2)n1 1271204319 IKFSUARIWJFZCH-UPVQGACJSA-N 450.539 2.252 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1C[C@H](F)CN1Cc1cccs1 1286279358 VEMJSNVTJUHFGQ-NCOADZHNSA-N 468.624 2.020 30 10 JEEE C#CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(CC(N)=O)CC1 1286322450 FCKJPUFFNQMVCB-LJQANCHMSA-N 474.606 2.482 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC2([S@@](C)=O)CCC2)CC1 1286474189 DTZNJEMOCUTZOM-JGCGQSQUSA-N 457.600 2.019 30 10 JEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2cc(F)cc(F)c2C1 1286496551 UEMDMCPOQKNMDK-ZDUSSCGKSA-N 455.556 2.096 30 10 JEEE C=C(Br)Cn1c(COCC)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1286546491 AOSUECJKEUGJJI-CQSZACIVSA-N 460.373 2.453 30 10 JEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 1286601215 IYEJPBDEFCEPEH-UHFFFAOYSA-N 484.576 2.137 30 10 JEEE C=CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1286719223 KSFLRDPIFNWSDR-SFHVURJKSA-N 455.378 2.188 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Oc1cccc(F)c1)C1CC1 1286736424 DZVXKOVKAVZDTG-UZLBHIALSA-N 479.578 2.372 30 10 JEEE C=CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1286769872 YQASMWZUMBXGDA-UHFFFAOYSA-N 482.585 2.089 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CC[C@H](C(=O)OC)C1 1286782375 SITIFKXETVRGPL-NSHDSACASA-N 454.350 2.071 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 1286810437 RFUJSAPATDNBNE-GBESFXJTSA-N 495.646 2.361 30 10 JEEE CCN1CCN(C[C@H](C)Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N(C)C[C@H](C)C#N)CC1 1296183587 FYARVBGXINWVPS-UXHICEINSA-N 487.674 2.218 30 10 JEEE C=C(C)Cn1c(SCC(=O)N[C@@H]2CCC[C@H]2CNS(C)(=O)=O)nnc1-c1ccco1 1296831408 HGNBDHJRULLCEI-LSDHHAIUSA-N 453.590 2.040 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H](N1CCOCC1)C(F)(F)F 1300285244 YZVHPIQDOKZWLG-YJBOKZPZSA-N 485.532 2.070 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CC(F)(F)C1(OC)CCOCC1 1300303262 HYTMVVUWNAWTOZ-AWEZNQCLSA-N 451.474 2.295 30 10 JEEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(=O)NCC)CC1 1300345401 VUPFZKIIOGXOMU-UHFFFAOYSA-N 458.588 2.004 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H](OC)c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1300486972 CNJRMIIWEGLNQH-PZJWPPBQSA-N 471.558 2.437 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCCCN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1300496118 OEUREMZRMPADPT-FGZHOGPDSA-N 477.675 2.455 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CCN(CC)C1 1300559748 ZESPYJUHZCMELD-HXUWFJFHSA-N 467.643 2.351 30 10 JEEE C#CCN(CC#CC)c1nnc(COc2ccc(C)c(C)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1300591167 MUGYGPJNNQAVFU-NRFANRHFSA-N 469.611 2.218 30 10 JEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCCN(C(=O)c2cccc(C)c2)CC1 1300733208 UCJBIFUZTLHOEY-UHFFFAOYSA-N 468.627 2.444 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC1CCN(CC)CC1 1300915539 ODVNQYIRGVPKRW-HXUWFJFHSA-N 468.668 2.135 30 10 JEEE C=C(C)COCCn1c(Cc2ccccc2OC)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1300993862 KCNRJXSAJZXMJX-QPPBQGQZSA-N 496.656 2.459 30 10 JEEE C=C1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@]2(C)CN(C)C2=O)CC1 1301086993 RAURQLVZWHPGOI-SBUREZEXSA-N 460.579 2.221 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H]1c1ccc(OC)c(OC)c1 1301490832 FYUWTYBKXXDQIA-SFHVURJKSA-N 451.531 2.340 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1301577151 KREPMHFZLFQISM-SFHVURJKSA-N 456.572 2.282 30 10 JEEE C=CCS(=O)(=O)CCn1c(CSc2ccc(C)cc2)nnc1N1CCN(C)C(=O)[C@H]1C 1301592983 GZOQAGJMVVGJOC-QGZVFWFLSA-N 463.629 2.147 30 10 JEEE CS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)CCC2CCCC2)CC1 1302456925 GEKLDYRZXBEZDI-UHFFFAOYSA-N 484.626 2.480 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H](C)OCCOC)n1C[C@@H]1C[C@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1358874226 UXNGWKKTMYXYFK-HVTWWXFQSA-N 477.606 2.484 30 10 JEEE C#CCCCCn1c(N2CC[C@H](C(=O)NCC(F)(F)F)C2)nnc1[C@@]1(OCC)CCOC1 1358917513 SQMATBLVNXKCDJ-OXJNMPFZSA-N 457.497 2.239 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1ccc(OCCOC)cc1)[C@H]1CCS(=O)(=O)C1 1358960378 CWCIVIVXRMYYOO-NRFANRHFSA-N 481.578 2.040 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1358963337 GLJCIUXMMPVMHW-SJORKVTESA-N 464.538 2.343 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1359092188 YBNLXTLWKAIMHK-FPOVZHCZSA-N 496.616 2.490 30 10 JEEE C=C(C)CN(CC)c1nnc(CN2CCCC2=O)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1359116042 VRWHCDMAOMPYLT-QGZVFWFLSA-N 458.529 2.456 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2ccccc2F)C1 1359133153 MJIORWWLUAZCID-XLIONFOSSA-N 464.563 2.490 30 10 JEEE C=C(Cl)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1359144323 FHVOVIOQJTZZEJ-YWZLYKJASA-N 452.964 2.485 30 10 JEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1ccco1)N1CCCCC1 1359240423 NXELDMFQEDYNFK-UYAOXDASSA-N 478.619 2.053 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCOC[C@H]1OC 1359254753 BWWOPRBOEGGVNQ-KCZVDYSFSA-N 490.626 2.433 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCC(N(C)C(=O)OCC)CC1 1359331956 LGSHLXADSHGNST-GOSISDBHSA-N 469.608 2.178 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1359335857 WYFUWZRYQPGLGP-APWZRJJASA-N 494.017 2.074 30 10 JEEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NC[C@H]1CSCCN1Cc1ccccc1 1469772826 FPMRJNHXPIGOFV-QUCCMNQESA-N 451.600 2.186 30 10 JEEE CCOC(=O)N[C@@H](CC(C)C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1502511901 FJTOQGGLNQHNIM-PMACEKPBSA-N 480.573 2.191 30 10 JEEE COc1cccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@](C)(C#N)C2)c1OC 1504356127 GPMRGBSAMHHZAM-YCRPNKLZSA-N 462.576 2.084 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCN(C)S(=O)(=O)CC 1507548556 VJYNMKWKADSBKJ-ROUUACIJSA-N 482.651 2.480 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OCC)CCOC3)n2CCn2ccnc2C)c1 1507549718 MFMXJLBYOZYFJU-VWLOTQADSA-N 477.569 2.192 30 10 JEEE C#CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(S(=O)(=O)CC)CC1 1507561838 DOXVRTFEDLISTI-UHFFFAOYSA-N 468.587 2.128 30 10 JEEE C#CCN(c1nnc(-c2c[nH]c3ccccc23)n1CCC(=O)NC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1507630684 FMLSTDOVIBYHIU-KRWDZBQOSA-N 482.610 2.358 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1507632111 XAOKWLITBOBXNK-IEBWSBKVSA-N 490.630 2.449 30 10 JEEE C#CCN(c1nnc(COCC)n1Cc1oc2ccccc2c1OC)[C@H]1CCS(=O)(=O)C1 1507638073 OHCVJUJVVWZUCS-INIZCTEOSA-N 458.540 2.244 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(F)ccc3Br)n2CCS(=O)(=O)CC)CC1 1507718302 NUZNUDUCFFTPCQ-UHFFFAOYSA-N 484.395 2.037 30 10 JEEE C=C(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(CC(=O)NCCOC)CC1 1507827337 IQTPPMAMOIPMLU-UHFFFAOYSA-N 462.982 2.068 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(c2nc(C)no2)CC1 1507915528 CBKKSIUEEWBWDR-GOSISDBHSA-N 493.634 2.289 30 10 JEEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2nc(C)cc(OCC)n2)CC1 1507936752 JXNZNMMXBRTZPW-UHFFFAOYSA-N 454.579 2.304 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1([S@](C)=O)CC1 1508008398 NXMHVYNLDPLWOE-JMGYQRAPSA-N 454.643 2.345 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c(-c2noc3c2COCC3)nnc1N1CCN(C(=O)NC)CC1)C(C)C 1508014933 YKMWAFYQEIJXMO-HXUWFJFHSA-N 498.632 2.166 30 10 JEEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](C[C@H]2CCOC2)C1 1508091474 LSZAVYSMIWCOLR-ZWKOTPCHSA-N 472.615 2.215 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(C(C)=O)C[C@@H]1C 1508134393 DLTNSIKTQVCDJB-DLBZAZTESA-N 479.578 2.215 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1508145228 YIPGQRDOUYQJAZ-UHFFFAOYSA-N 486.642 2.094 30 10 JEEE COCCn1cc(Cn2c(-c3ccc(Br)s3)nnc2N2CCO[C@@H](C#N)C2)cn1 1519182701 CWIYGDGGEGHMTJ-AWEZNQCLSA-N 478.376 2.389 30 10 JEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1539101678 FLECPYWTCIDUOO-DEOSSOPVSA-N 497.625 2.094 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1CCCCOC)[C@@H]1CCS(=O)(=O)C1 1539205702 JIIYPUWESRVKRW-MRXNPFEDSA-N 484.420 2.099 30 10 JEEE C#CCN(c1nnc(CCCc2ccccc2)n1CC1=CCCOC1)[C@@H]1CCS(=O)(=O)C1 1539231024 SFHCNECDAZUHQT-JOCHJYFZSA-N 454.596 2.427 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2csc(C(C)(C)C)n2)CC1 1539427644 FUEVOHRXQHDVAL-UHFFFAOYSA-N 455.632 2.266 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2C[C@]2(C)COCCO2)CC1 1539430178 HLBOVVIWXZEASK-NBGIEHNGSA-N 469.586 2.378 30 10 JEEE C#CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1539516784 CQXJKZLSLXDCAS-MAUKXSAKSA-N 450.586 2.026 30 10 JEEE C=C1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCNS(=O)(=O)CC)CC1 1539848045 PUIFJWSMZHDYLB-SFHVURJKSA-N 482.651 2.488 30 10 JEEE C=CCCCCn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1539973735 CFHRLYSBTATTQS-IRLDBZIGSA-N 471.650 2.136 30 10 JEEE C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN([C@H](C)C(=O)NCCCOC)CC1 1540861203 HCCYVOLJDKOHNS-VAMGGRTRSA-N 462.639 2.046 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@@H](OCc2cccc(OC)c2)C1 1540869949 AYZNZWDVHHSIFI-TZIWHRDSSA-N 455.559 2.278 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(Cc2cc(C)ccc2OC)CC1 1540870533 PSROKNQHIXKFQL-JOCHJYFZSA-N 468.602 2.461 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1540901109 SSADMTXWZXNJOR-QGZVFWFLSA-N 461.563 2.276 30 10 JEEE CCNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOc2ncccc2F)CC1 1547771000 CVYXUZDSZNTBDS-UHFFFAOYSA-N 464.505 2.281 30 10 JEEE C#C[C@H](NC(=O)c1cc(S(=O)(=O)NCCOC)ccc1Br)c1ccccc1 1557178272 LLTVGHKMGJLCKH-SFHVURJKSA-N 451.342 2.478 30 10 JEEE C#CCN(CC(=O)NCCN1C(=O)S/C(=C\c2ccc(OCC)cc2)C1=O)C1CSC1 1559986392 RKMPTKNCFMBVIP-UNOMPAQXSA-N 459.593 2.288 30 10 JEEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1C[C@@](C)(O)C1CC1)[C@H]1CCS(=O)(=O)C1 1588069859 UHVIKUCJOYSZLO-PGRDOPGGSA-N 479.002 2.298 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1cnn(CCOC)c1 1588133555 IIKFMZCRNOLGFT-OAQYLSRUSA-N 481.601 2.357 30 10 JEEE C#CCN(CC#CC)c1nnc(Cc2ccccn2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1588237841 GDFRBHSPIMPRPY-HXUWFJFHSA-N 460.504 2.380 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@]2(O)CCSC2)CC1 1588899836 XVOIYLKLHGMBCP-QHCPKHFHSA-N 491.564 2.380 30 10 JEEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1589007781 QUXVOQITLUKWPB-LJQANCHMSA-N 470.555 2.047 30 10 JEEE C=CCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CC(=O)N(C)C[C@H]1C 1594752734 PGYSOCILVKRCFN-OAQYLSRUSA-N 451.619 2.276 30 10 JEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1594812047 BRDMXZXRWUSKTR-OALUTQOASA-N 497.662 2.466 30 10 JEEE C=CCn1c(COc2ccc(F)cc2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1595442804 ZVHRGASGXBUXOI-UHFFFAOYSA-N 455.494 2.239 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CCN(c2cccnn2)CC1 1595497171 SBFQITRGICOYSD-UHFFFAOYSA-N 483.374 2.126 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CCC2(CC1)CNC(=O)C2 1595766326 OPBVFPMKBSWNHM-UHFFFAOYSA-N 463.991 2.306 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCC(C(=O)N2CCCC2)CC1 1595805983 YXXQIFBLJXLZDP-UHFFFAOYSA-N 489.617 2.448 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc(-c2cccc(Cl)c2)n1CCNS(=O)(=O)Cc1ccon1 1596789217 GTXVYBONYDYCKP-AWEZNQCLSA-N 463.951 2.302 30 10 JEEE C=C(C)C[C@H](NC(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1)C(=O)OCC 1598350813 UHEQHFKRNJNDRQ-AWEZNQCLSA-N 454.453 2.374 30 10 JEEE Cc1cc(NS(=O)(=O)c2cccc(C(=O)N3CCN(c4cnccc4C#N)CC3)c2)no1 1611404062 CGBFAVMSPFCTDB-UHFFFAOYSA-N 452.496 2.013 30 10 JEEE COc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1CCNC(=O)c1cccs1 1619452774 GHKGQUCQQPXVJP-MRXNPFEDSA-N 468.539 2.086 30 10 JEEE CC[C@H](C#N)Oc1cc(CNC(=O)Nc2ccc3c(=O)n(C)c(=O)n(C)c3c2)ccc1OC 1627563016 HGQJTZAQIRTGDZ-MRXNPFEDSA-N 451.483 2.248 30 10 JEEE N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)CNS(=O)(=O)c2ccccc2F)CC1 1639953563 DEVXHBZRTUKUKY-GOSISDBHSA-N 450.923 2.166 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCC(=O)NC(C)(C)C 1649540472 XBEUZWODMWLRHV-OAHLLOKOSA-N 459.620 2.309 30 10 JEEE COC(=O)c1cc(C(F)(F)F)cc(S(=O)(=O)N2CCN(c3ccc(C#N)nc3)CC2)c1 1665326478 HVKRFJVLFYSANT-UHFFFAOYSA-N 454.430 2.270 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)CN1CCOCC1 1689852855 LRYZBKWDXDCXFG-SLFFLAALSA-N 476.622 2.013 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(C)CCOCC2)c1 1689872171 QHIAZLSSHYXKRX-LJQANCHMSA-N 485.610 2.053 30 10 JEEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(CCOC(C)C)CC1 1689930305 PAVLPIGCHQQXHI-UHFFFAOYSA-N 466.634 2.413 30 10 JEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CNC(=O)c2ccccc2)C1 1689930359 QDHRAAVMQHBWMJ-CTNGQTDRSA-N 469.611 2.240 30 10 JEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(Cc2cc(C)on2)CC1 1689937316 WCUNODFOVRMLMS-UHFFFAOYSA-N 453.572 2.302 30 10 JEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)NCCc1ccccc1 1689965794 DBHGHQCMFSYDND-HXUWFJFHSA-N 482.585 2.015 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1C[C@@H](C)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1689980605 VERRBCGWMVAOPO-BRWVUGGUSA-N 453.609 2.332 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCN2CCSCC2)CC1 1690117612 ONXVJWISUUOWBB-UHFFFAOYSA-N 461.035 2.411 30 10 JEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCc2ccc(NC(C)=O)cc2)CC1 1690132853 YSJMZVAQDYHLJE-UHFFFAOYSA-N 460.586 2.096 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@](C)(O)c2cccc(Cl)c2)CC1 1690142249 KNCUGTHXYOQARV-XMMPIXPASA-N 481.988 2.206 30 10 JEEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1690170235 CLLIPPKHSOSSFU-UHFFFAOYSA-N 473.603 2.002 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(OC)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1690212581 OYEMKFOGGRYRLN-WZONZLPQSA-N 473.599 2.139 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 1690667824 JNFCSABOYVTTFP-GOSISDBHSA-N 464.505 2.182 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](Nc2ccccc2)C1 1690714137 FXSDVZBHRHTUNZ-LJQANCHMSA-N 460.604 2.098 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H]1c1cccc(OC)c1 1690723008 DZMMWXZUEQHWID-RTBURBONSA-N 459.572 2.180 30 10 JEEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]2[C@H](CCCN2C2CC2)C1 1690733517 GUASYTFYCJFGKG-SCTDSRPQSA-N 468.693 2.261 30 10 JEEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 1690742319 MOARGDSGQIQJDI-LJQANCHMSA-N 472.590 2.179 30 10 JEEE CCN1CCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1695843056 DOVZRXZJIRYSBS-IFMALSPDSA-N 485.658 2.409 30 10 JEEE C#CCN(CCOC)c1nnc(COc2cc(C)cc(C)c2)n1C[C@H]1CCCS(=O)(=O)C1 1705630210 KBYZEMIWFXNMGR-HXUWFJFHSA-N 460.600 2.385 30 10 JEEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(I)cc2)CC1 1705637552 BYXNEXJCALZPLS-UHFFFAOYSA-N 487.349 2.087 30 10 JEEE C#CCSCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)CCNS(C)(=O)=O 1705654702 QVAVBJDNANFNLN-HNNXBMFYSA-N 467.686 2.483 30 10 JEEE C#CCSCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CC[C@@](F)(C#N)C1 1705663449 IJWUZWBYOQXXTJ-XMMPIXPASA-N 467.618 2.451 30 10 JEEE C=C(C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1705725029 GJLCKJKWUQVNCK-MSOLQXFVSA-N 487.605 2.441 30 10 JEEE C=CCn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1705888637 KDMJHMUQLQTYSC-UTKZUKDTSA-N 454.575 2.137 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1705895581 LPJJTYBWWRMOHG-UHFFFAOYSA-N 491.543 2.479 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](OCC=C)C1 1705903118 QOKUEZWRHSDGKE-OALUTQOASA-N 474.606 2.476 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1705932869 MHZDEAQOWHHFLL-MRXNPFEDSA-N 485.532 2.359 30 10 JEEE CNC(=O)C(C)(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@](F)(C#N)C1 1711284273 BWUULAIINVZWGJ-NRFANRHFSA-N 461.929 2.076 30 10 JEEE C#CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1722336964 SCIFOHCDRGVHQC-SFHVURJKSA-N 482.610 2.492 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H](c1ccc(F)cc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1722364270 FKBAZFRRSITMKC-GOTSBHOMSA-N 496.612 2.333 30 10 JEEE C#CCN(c1nnc(C2(c3ccccc3)CCC2)n1C[C@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1722366712 SHVBYBSULWQUFF-FPOVZHCZSA-N 455.628 2.325 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CC[C@H](F)C1 1722420144 GILRXXFDCMHLCA-MJGOQNOKSA-N 463.579 2.420 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(C)nc3ccccc23)n1CC1(S(C)(=O)=O)CC1 1722422939 VQKPOLJJZISCMB-UHFFFAOYSA-N 453.568 2.465 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCS(=O)(=O)C1 1722422958 SVWLNRFBPALEKU-HXUWFJFHSA-N 470.574 2.353 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2CCN2CCC[C@@H]2C)CC1 1722445030 JGJWBSMZBMDVOO-IBGZPJMESA-N 450.587 2.404 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](c2ccc(Cl)cc2)C1 1722691540 QZZRUXYKFZPCIM-SFHVURJKSA-N 481.944 2.459 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@@H]1CSC 1722726765 FENUMSWHMDFCCJ-MRXNPFEDSA-N 488.639 2.125 30 10 JEEE COCC1(Cn2c(CCc3ccc(OC)cc3)nnc2N2CCO[C@H](C#N)C2)CCOCC1 1730517574 FJLKDZWBYIVJHV-OAQYLSRUSA-N 455.559 2.244 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1Cc1cnccc1OC)[C@@H]1CCS(=O)(=O)C1 1740624750 JSMKJDJRSPDTAE-OAQYLSRUSA-N 465.579 2.256 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1Cc1cccc(N(C)C)c1)[C@@H]1CCS(=O)(=O)C1 1740626380 XFAFMANNDIXNDV-OAQYLSRUSA-N 484.651 2.375 30 10 JEEE C#CCN(c1nnc(COCC)n1CCc1nc2c(s1)CCCC2)[C@H]1CCS(=O)(=O)C1 1740628139 NYEQMKXGCSEUMO-INIZCTEOSA-N 463.629 2.019 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H]2CCN(CCC)C2)CC1 1740699036 YTYSJLJQYPDBIH-FQEVSTJZSA-N 452.603 2.449 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1740702587 SSMOEYXSTVSBLZ-ATLLOTDBSA-N 485.560 2.063 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Cl)c3)n2CCCC(=O)N(C)C)CC1 1740703404 REAWDMBVQMFGFP-UHFFFAOYSA-N 456.978 2.433 30 10 JEEE C#CCSCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1740718522 PYQRQNYOSYNILK-KOSHJBKYSA-N 488.658 2.475 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](SC)C(C)(C)C 1740731903 LDLFBYYOLZPHGE-LLGFUMIMSA-N 469.677 2.381 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCOC2(CCCCC2)C1 1740752594 YIGUDGCOSXTKHP-QRVBRYPASA-N 467.636 2.409 30 10 JEEE C=CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1740859026 FIEJHNVYZCKUAS-UHFFFAOYSA-N 490.406 2.319 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(S(C)(=O)=O)CC1 1740921395 SPSUELHJILEDFD-QGZVFWFLSA-N 482.603 2.089 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN2CCCC[C@@H]2CC)C1 1740982768 WPUXPTQYROAVFA-HSALFYBXSA-N 451.637 2.226 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccc(C)n3)n2C[C@@H]2CC[C@H](CO)O2)c1 1748693059 WXFOWHQNWUCZMQ-LEWJYISDSA-N 460.538 2.245 30 10 JEEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@H]1CCCS(=O)(=O)C1 1748784576 PNBJXBSZQFHTOF-QGZVFWFLSA-N 468.583 2.130 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1CC1CC1)[C@@H]1CCS(=O)(=O)C1 1748805774 VWTFUYOBHNGYMD-OAHLLOKOSA-N 452.378 2.083 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@]1(O)CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1748809185 KJBSCCPCGIZDGD-HOOSLVGPSA-N 488.610 2.140 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)nc2)n1C[C@@]1(N2CCOCC2)CCSC1 1748834146 FXJOESMWBVVBCR-QFIPXVFZSA-N 457.003 2.274 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1748868166 SLGQWAFVHAFOGK-RBUKOAKNSA-N 473.574 2.302 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC[C@@](C)(O)c2ccccc2)CC1 1748979278 XFRAQQVZUJBMQT-FTJBHMTQSA-N 467.614 2.372 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(CC)s2)CC1 1749001171 KPVQOELGRKUODD-UHFFFAOYSA-N 454.600 2.152 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CCCN2CCCCC2=O)CC1 1749009484 RIPAYRRYJFWVJK-UHFFFAOYSA-N 463.586 2.017 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2CCc2nccnc2C)CC1 1749016038 XIMHSCDWBVPJNF-UHFFFAOYSA-N 473.581 2.472 30 10 JEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(S(=O)(=O)c2ccccc2)CC1 1749033594 JNSLGSXPHOBRTL-IBGZPJMESA-N 473.624 2.038 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC[S@@](=O)CC 1749072569 SBPUFMJQZXTMKF-HPMVVLTCSA-N 468.671 2.404 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CCOC(C)C)CC1 1749118034 BNCJTVZTKKDSOM-UNMCSNQZSA-N 483.617 2.454 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCC(CNC(C)=O)CC2)nnc1[C@]1(OCC)CCOC1 1749140370 OLDYBWKHJPWBQE-HFMPRLQTSA-N 461.607 2.264 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](CC(C)C)N(C)C)c1 1760128934 WOSZFAXRTBVGDW-SFTDATJTSA-N 465.602 2.262 30 10 JEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(C)(C)N1CCC(OC)CC1 1760170107 PHBFCMSWWLIYQY-UHFFFAOYSA-N 473.647 2.197 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(OCC)cc1)[C@@H]1CCS(=O)(=O)C1 1760181055 OXPVMHQBRWZKDI-YKSBVNFPSA-N 488.610 2.004 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCc1ccccn1)[C@@H]1CCS(=O)(=O)C1 1760186759 QRIXQDNZLYCQAS-OAQYLSRUSA-N 453.543 2.272 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1ccc(F)c(F)c1)[C@H]1CCS(=O)(=O)C1 1760188701 CAXKNTGFBROCIY-SFHVURJKSA-N 457.506 2.217 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H](C)c1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1760188791 DCSPVVSEHJJVSB-OXQOHEQNSA-N 468.583 2.299 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1CC1(N(C)C)CCCC1)[C@H]1CCS(=O)(=O)C1 1760189980 MXTSOAGECFBLFU-NRFANRHFSA-N 485.654 2.379 30 10 JEEE C#CCN(c1nnc(CC2CCCC2)n1Cc1nccn1C(F)F)[C@@H]1CCS(=O)(=O)C1 1760190381 PUTVKICVGKZIHT-MRXNPFEDSA-N 452.531 2.277 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@@]1(C)CCCO1)[C@H]1CCS(=O)(=O)C1 1760192936 ZVUQRJCKGIUIGX-WMZHIEFXSA-N 458.584 2.361 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H]2CN(CC(C)C)CCO2)CC1 1760263453 BSCJWIGLQFZHDR-DNVJHFABSA-N 472.678 2.309 30 10 JEEE C#CCSCCn1c(CCc2ccccc2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1760283599 SWLUBVYYXLTEER-DEOSSOPVSA-N 466.611 2.244 30 10 JEEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 1760284514 NZJYGDOGZQCCMY-QHCPKHFHSA-N 462.623 2.486 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](Oc2ccccc2)C1 1760346166 KYDRFDIUYOWXNT-WOJBJXKFSA-N 461.588 2.235 30 10 JEEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1Cc2ccccc2[C@@H]1C 1760449976 APIXMLNWQNYLLK-PXNSSMCTSA-N 461.588 2.285 30 10 JEEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCO[C@H](c2ccccc2Br)C1 1760527615 COJCEUVMKKSCOF-KRWDZBQOSA-N 464.364 2.457 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](C(F)(F)F)C1 1760528625 IHVDHENSZGMUID-GJZGRUSLSA-N 488.511 2.420 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC2([S@](C)=O)CCC2)C1 1760549842 NSFCKCWBULJFNP-MKTHODDLSA-N 463.629 2.352 30 10 JEEE CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCCCCC2)CCO1 1760667758 FJYAKJLUKJYALM-OAQYLSRUSA-N 452.559 2.243 30 10 JEEE CCC[C@@H](C)NC(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cnnn2C)C1 1765542811 FYJSRFNXAXCOBL-QUCCMNQESA-N 491.600 2.427 30 10 JEEE CCn1nc(-c2nnc(N(C)C[C@H](C)C#N)n2CCCN2CCC(O)CC2)c2ccccc2c1=O 1765578637 HWYPANSDUUDYBC-GOSISDBHSA-N 478.601 2.118 30 10 JEEE CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCSC(F)(F)F)CC1 1767213973 GFIUAUNPBXUPER-UHFFFAOYSA-N 467.521 2.328 30 10 JEEE CCOc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCNC(=O)C(C)(C)C)cc1OC 1767547976 AQSBTYZCMPALQF-KRWDZBQOSA-N 456.547 2.243 30 10 JEEE COCCN1C[C@H](Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N2CCO[C@@H](C#N)C2)CC1=O 1769883431 AINUXBJZEBNBGB-KNQAVFIVSA-N 496.612 2.378 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)C(=O)NCCCCCC(=O)O)c(C(=O)OCC)c1C 1860760692 CVDAPZOUSNKLGG-UHFFFAOYSA-N 454.501 2.276 30 10 JEEE C=CCN(CC=C)c1cc(N2CCN(C(=O)CCN3CCOCC3)CC2)nc(C(C)(C)C)n1 1869187031 SJUISEQOKQHJNF-UHFFFAOYSA-N 456.635 2.323 30 10 JEEE CN1C(=O)c2ccc(-n3nnc(C#N)c3NC(=O)C(C)(C)NC(=O)OCc3ccccc3)cc2C1=O 1870162433 TZJUJDISMLKMCK-UHFFFAOYSA-N 487.476 2.008 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCCCN2C(=O)c3ccccc3C2=O)cn1CCNC(C)=O 1870376334 JKVIVEPNIUNXQO-UHFFFAOYSA-N 492.576 2.224 30 10 JEEE C=CCN=c1nc(N2CCN(Cc3ccccc3)CC2)[nH]c(=Nc2ccc(OC)c([N+](=O)[O-])c2)[nH]1 1871707579 ZADBXSLOQBUMFS-UHFFFAOYSA-N 476.541 2.296 30 10 JEEE CC(C)(C)N1C[C@H](c2nnc(SCC(N)=O)n2/N=C/c2cc(Br)ccc2O)CC1=O 1874274365 RBWLWGXWBUBRBZ-QFIKJYRCSA-N 495.403 2.320 30 10 JEEE CN(C)CC#CC1CCN(C(=O)C[C@H]2CSc3nc4c(cnn4-c4ccccc4)c(=O)n32)CC1 1890543204 SVWFFALRGWYXCB-FQEVSTJZSA-N 476.606 2.423 30 10 JEEE COc1ccc(CCN=C(NC[C@@H]2COCCO2)N2CCN(c3cc(C)ccn3)CC2)cc1 2087918199 SSPXWRXAVAWBLW-HSZRJFAPSA-N 453.587 2.124 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1COC[C@@H]1C(=O)NCCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2180969754 YUDQUPJCHZDREI-OALUTQOASA-N 460.380 2.184 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](Cc1cncs1)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2180983787 FOLQELYJQPFOHI-HNNXBMFYSA-N 475.380 2.307 30 10 JEEE 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 2223128858 YMGOCOYIDLYOCQ-DISONHOPSA-N 453.580 2.436 30 10 JEEE CC(C)(C)OC(=O)NCCOCCCNC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2255642929 NIRZNRLZLLXDOJ-UHFFFAOYSA-N 455.386 2.104 30 10 JEEE CC(C)(C)OC(=O)NCC(F)(F)CNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2255943411 SGVTUHMJSHHCMV-UHFFFAOYSA-N 482.380 2.486 30 10 JEEE CC(C)(C)OC(=O)N[C@]12C[C@H]1CN(S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)C2 2255947660 CHZWPHVHINUHKE-RBZFPXEDSA-N 470.422 2.335 30 10 JEEE C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1csc(B2OC(C)(C)C(C)(C)O2)c1 2256618518 QTAMBWHRRGVEKJ-CJNGLKHVSA-N 454.398 2.280 30 10 JEEE CC(C)(C)OC(=O)NCCC1(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)CCC1 2256623173 BMEGHRLXPUWJAF-UHFFFAOYSA-N 452.386 2.283 30 10 JEEE COC[C@@]1(NC(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)CCN(C(=O)OC(C)(C)C)C1 2266996934 AMDZCWRUKIVUQI-OAQYLSRUSA-N 467.397 2.198 30 10 JEEE CC(C)(C)OC(=O)N1CC(CCO)(CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2267281207 SVCCMOCBEBBYEE-UHFFFAOYSA-N 466.409 2.397 30 10 JEEE CC(C)(C)OC(=O)N(CCNS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1)C1CC1 2267376323 UENLBNYPLHEYGE-UHFFFAOYSA-N 467.397 2.059 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](NS(=O)(=O)c2c(Cl)cccc2B2OC(C)(C)C(C)(C)O2)CO1 2267466085 VCESJXYCXHQVID-ZDUSSCGKSA-N 488.799 2.468 30 10 JEEE CC1(C)OB(c2cscc2S(=O)(=O)NC[C@@H]2CCCCN2C(=O)C(F)(F)F)OC1(C)C 2267471024 CXJZMIFDLMSFLL-LBPRGKRZSA-N 482.355 2.269 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@H](CNS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2267473573 HVJLFNGZBHIXFV-HDJSIYSDSA-N 487.453 2.165 30 10 JEEE CC(C)(C)OC(=O)N1CCSC[C@@H](NC(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267588206 JCOPNRCNSFLLDE-KRWDZBQOSA-N 463.409 2.463 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)sc1CNC(=O)[C@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C 2268634508 IJZOBXITWVEJSI-HUUCEWRRSA-N 466.409 2.342 30 10 JEEE Cn1nc(C(=O)N[C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)cc1B1OC(C)(C)C(C)(C)O1 2281972951 OTXQBVCHLKIMBZ-XUVXKRRUSA-N 450.392 2.360 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC2(CC2)C1 2282040426 JJADXXHXGLVJAQ-HNNXBMFYSA-N 460.384 2.239 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1CNS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282347045 RZWXWZFCAJMLOB-CRAIPNDOSA-N 481.424 2.353 30 10 JEEE CO[C@H]1CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2F)C[C@@H]1NC(=O)OC(C)(C)C 2282407965 APPUSWZLQPVLQS-ROUUACIJSA-N 464.343 2.489 30 10 JEEE CCn1cc(C(=O)N2C[C@@H]3C[C@H](C2)CN3C(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2282533789 AWBOUGGDIYVXGQ-CVEARBPZSA-N 460.384 2.284 30 10 JEEE Cc1c(C(=O)N2C[C@@H]3CCN(C(=O)OC(C)(C)C)[C@@H]3C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282582797 ZKDJIXJJTBXRAM-JKSUJKDBSA-N 460.384 2.109 30 10 JEEE Cn1nc(C(=O)N2CC[C@@H]3CN(Cc4ccccc4)C[C@H]3C2)cc1B1OC(C)(C)C(C)(C)O1 2282602966 ZSUXSBSGQYGOIN-UXHICEINSA-N 450.392 2.313 30 10 JEEE Cn1nc(C(=O)N2CCC(F)(CNC(=O)OC(C)(C)C)CC2)cc1B1OC(C)(C)C(C)(C)O1 2282621577 UBKXQWIPKRQWGZ-UHFFFAOYSA-N 466.363 2.188 30 10 JEEE C[C@@H](CNC(=O)c1ccoc1B1OC(C)(C)C(C)(C)O1)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 2282627010 KIVBIVAAFWIVPQ-NPMXOYFQSA-N 464.368 2.317 30 10 JEEE CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)N1CCC(=CB2OC(C)(C)C(C)(C)O2)C1 2283945295 AGATVGZSOYWWEE-SFHVURJKSA-N 465.400 2.442 30 10 JEEE CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1sc(B2OC(C)(C)C(C)(C)O2)cc1C 2283958251 XHSDLVMGXPRLRT-MRXNPFEDSA-N 482.408 2.428 30 10 JEEE C[C@@H]1COC[C@@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)N1C(=O)OC(C)(C)C 2283969290 IDRVPEDDZIYBMF-CJNGLKHVSA-N 465.331 2.483 30 10 JEEE C[C@@H](C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1)N1CCN(C(=O)OC(C)(C)C)CC1 2283981588 NYHNWVINQFOBKO-INIZCTEOSA-N 460.384 2.261 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)OCC1(C)C 2284012009 SILJXLKQXOZUJS-CQSZACIVSA-N 481.424 2.473 30 10 JEEE CC(C)(C)OC(=O)NC[C@H](CO)C(=O)N1CCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C1 2284047091 GFGFEWPMANMEBW-GOSISDBHSA-N 460.380 2.004 30 10 JEEE CC(C)(C)OC(=O)N1[C@H](C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C[C@H]2OCC[C@H]21 2284060236 LHZAUPJIHPIUSJ-QLFBSQMISA-N 479.408 2.225 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)CC1 2286120936 ORZUOSXCHUOCLP-OAHLLOKOSA-N 457.302 2.480 30 10 JEEE Cc1cccc(C(=O)N(C)CC2(O)CN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2287297956 OORDIKXPJVMVOU-UHFFFAOYSA-N 460.380 2.348 30 10 JEEE C[C@H]1CN(C(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)CC2(CN(C(=O)OC(C)(C)C)C2)O1 2288578621 ZDRBMTVALCFJFL-AWEZNQCLSA-N 479.408 2.293 30 10 JEEE CC(C)(C)OC(=O)N1CC(c2nc(=NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)sn3)s[nH]2)C1 2296445484 MNZWLOZMAGFOGZ-UHFFFAOYSA-N 493.420 2.302 30 10 JEEE CC(=NNc1nc2c(c(O)nc(=O)n2C)n1C[C@@H](O)COc1ccc(C)cc1)c1ccc(O)cc1 2327754090 MLCYGLNOANUNRR-GOSISDBHSA-N 478.509 2.126 30 10 JEEE NC(=O)CSc1nnc(CCc2ccccc2)n1N=Cc1cc2c(cc1[N+](=O)[O-])OCCO2 2330184834 FZVWCONLGRKYTB-UHFFFAOYSA-N 468.495 2.202 30 10 JEEE NC(=O)CSc1nnc(Cc2ccccc2)n1N=Cc1cc2c(cc1[N+](=O)[O-])OCCO2 2330472280 NEWHLNPMJJSDMN-UHFFFAOYSA-N 454.468 2.008 30 10 JEEE CCCN(CCNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nc(C)n1C)C(=O)OC(C)(C)C 2337271339 VPNWFWZSIFUDKH-UHFFFAOYSA-N 450.389 2.405 30 10 JEEE Cn1cnc(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 2362350067 NNSFIEKNDXBHHU-XHSDSOJGSA-N 460.384 2.095 30 10 JEEE C[C@@H]1C[C@H](NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)CCN(C(=O)OC(C)(C)C)C1 2362352996 IDXQQFLRRFQVMF-HZPDHXFCSA-N 462.400 2.485 30 10 JEEE Cc1nn(CCO)c(C)c1/C=N/Nc1nc(SCC(=O)N[C@H]2CCCc3ccccc32)n[nH]1 59888287 CPLPSNZJVQPTLR-DOUQRPAJSA-N 468.587 2.342 30 10 JEEE Cc1cc(C)nc(SC2=C(N3CCN(c4ncccn4)CC3)C(=O)N(c3cccc(C#N)c3)C2=O)n1 526701038 OPOVWISNDUNHJB-UHFFFAOYSA-N 498.572 2.454 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCn1cc(Br)cn1 1286283956 VTOWFXUJICITRS-CQSZACIVSA-N 467.335 2.038 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCCc1cnn(C)n1 1286287259 ADJBGTOJGXLCLV-QGZVFWFLSA-N 459.558 2.284 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2CCCO[C@H]2CCOC2)c1 1286312587 YNUGNWOEBLYRGT-FPOVZHCZSA-N 453.543 2.034 30 10 JEEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1286348751 NQQMBTYKYIHEDW-SFHVURJKSA-N 461.570 2.299 30 10 JEEE C#CCN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C/C=C\CC)[C@H]1CCS(=O)(=O)C1 1286381935 PTNNZNPPIOKCET-VOFKWLDRSA-N 476.002 2.454 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CC1(COC)CCOCC1)[C@H]1CCS(=O)(=O)C1 1286387288 CEYHTVILLCFUKH-SFHVURJKSA-N 494.017 2.063 30 10 JEEE C#CCN(c1nnc(C2CC2)n1CCc1ccc(OC)c(OC)c1OC)[C@H]1CCS(=O)(=O)C1 1286389577 MSUNTLGFNHEBDH-SFHVURJKSA-N 474.583 2.051 30 10 JEEE C#CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1C[C@H]1C)[C@H]1CCS(=O)(=O)C1 1286397888 DMCHLPKVVABPQR-GFEQUFNTSA-N 477.631 2.332 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H](C)c2nccs2)CC1 1286492061 FOIGDPAYWPMTLN-INIZCTEOSA-N 497.650 2.496 30 10 JEEE C#CCSCCn1c(COc2ccc(C)cc2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1286511999 QADYWJMDTRQDSR-UHFFFAOYSA-N 482.654 2.276 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC[S@@](=O)CC 1286522101 IVSAOQXTWUIGQX-HEIROHQZSA-N 452.584 2.436 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCCN2CCCC[C@H]2C)CC1 1286645474 CWHHBYYZMGRZGO-RTWAWAEBSA-N 480.679 2.422 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCC2(COC)CCCC2)CC1 1286646064 MGMUXXRXWDWPLM-LJQANCHMSA-N 467.636 2.364 30 10 JEEE C=CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1c(C)nn(C)c1C 1286772354 BUDVBZDGRGNUMY-UHFFFAOYSA-N 465.606 2.490 30 10 JEEE C=CCOc1ccc(Cn2c(-c3cnn(C)c3)nnc2N(C)C2CCN(S(C)(=O)=O)CC2)cc1 1286794288 BQTFRWJIYFVCIM-UHFFFAOYSA-N 485.614 2.152 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(C(=O)NCC)c2)C1 1286799742 ZMDQHRSYEVNWTO-HXUWFJFHSA-N 452.559 2.093 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(C(N)=O)nc2)C1 1286812178 KALQPAHLFIOUQL-FQEVSTJZSA-N 459.510 2.052 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 1286816415 IUIRWCCYYTWRGX-QGZVFWFLSA-N 476.603 2.434 30 10 JEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)CC(=O)Nc1c(C)cc(C)cc1C 1300381480 SUZUCLRKWBWWKT-GOSISDBHSA-N 460.604 2.302 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCNC(=O)c1cc[nH]n1 1300580896 LLJZFGOIIRNKIF-IBGZPJMESA-N 494.600 2.009 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CC(C)(C)NC(=O)OC(C)(C)C)CC1 1300724652 AVCWIDWAWZJBJD-SFHVURJKSA-N 474.606 2.051 30 10 JEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](OCc2cccc(OC)c2)C1 1300755980 BNYIWPFISSGXLJ-WOJBJXKFSA-N 455.584 2.400 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccccc2OC)nnc1N1CCN(CC(=O)N(C)C)CC1 1300897017 MVLKABQMWSLCOY-NBGIEHNGSA-N 498.628 2.057 30 10 JEEE C=C(Cl)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 1301023118 CCJPKRNNCCFKNY-LJQANCHMSA-N 479.006 2.446 30 10 JEEE C=C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1301069931 HYYCTWNUCOJPMP-CQSZACIVSA-N 469.409 2.474 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCN(CC)[C@H](C)C1 1301575870 LSQWIGOEYWVTLV-GOSISDBHSA-N 469.615 2.466 30 10 JEEE C[C@H](C#N)CN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC1(S(C)(=O)=O)CCC1 1301970545 GLZFKDWYYQCAIU-OAQYLSRUSA-N 499.685 2.206 30 10 JEEE CC(C)[C@H]1OCCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CC#N)CC1 1303833343 GYSYMIYWVGUBAR-QXAKKESOSA-N 452.625 2.470 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@H]1CCCCS1(=O)=O 1358876667 OKVDFMFYFJDUHN-WBVHZDCISA-N 462.572 2.396 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2C[C@@H]2CCOC[C@H]2OC)c1 1358901701 UGUPRVNEEOIARL-SIKLNZKXSA-N 460.538 2.448 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@H](CC)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1358961034 QOEAWISTLDWUKE-RXVVDRJESA-N 452.584 2.499 30 10 JEEE C#CCN(c1nnc(-c2noc3c2COCC3)n1CCSCC(C)C)[C@@H]1CCS(=O)(=O)C1 1358962261 NBDXKPIUVGXUNB-MRXNPFEDSA-N 479.628 2.022 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccc(CN(CC)CC)cc1)[C@@H]1CCS(=O)(=O)C1 1358963948 QIZIRLQLVPRMSN-DHIUTWEWSA-N 485.654 2.299 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@]1(C)COCCO1 1358998577 KDLLMMJXVRWNCO-GLDPYIMESA-N 457.575 2.317 30 10 JEEE C#CCSCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1359054786 HSAHSTRISFNYTL-UHFFFAOYSA-N 492.653 2.144 30 10 JEEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1359062569 LUYZXMCCEZNSGD-IKGGRYGDSA-N 461.554 2.441 30 10 JEEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)CCC1CCOCC1 1359076389 ANAGCPCWYSZHMH-CYBMUJFWSA-N 450.403 2.050 30 10 JEEE C=C(C)COCCn1c([C@H]2CCCCO2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1359133103 LRXNAHMHDWPKHN-OAQYLSRUSA-N 460.623 2.247 30 10 JEEE C=CC1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCS(=O)(=O)N(C)C)CC1 1359174926 UMTMTQFTODMPPH-UHFFFAOYSA-N 457.398 2.330 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(c2cccnn2)CC1 1359296155 YQUYZNRHGKKEPP-UHFFFAOYSA-N 456.913 2.156 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 1359330636 XXRAQJJOZJGDCT-OAHLLOKOSA-N 461.510 2.432 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1359334902 UKYXNZYBZCJHFY-IBGZPJMESA-N 451.637 2.353 30 10 JEEE C=CC[C@@H](Cc1ccccc1)NC(=O)c1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1 1436687418 NVAAVCGDHJKDBG-QFIPXVFZSA-N 455.580 2.457 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCCO3)n2CCS(=O)(=O)CC)c1 1507550914 SAIZOTNZIGKNBA-IBGZPJMESA-N 459.572 2.011 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCc1csc(C)n1)[C@@H]1CCS(=O)(=O)C1 1507630371 XRVPMNLNECBSRG-HXUWFJFHSA-N 466.592 2.451 30 10 JEEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1C[C@H](c1ccccc1)N1CCOCC1 1507657274 PIFJWIOAUIMDSV-XMMPIXPASA-N 457.582 2.286 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(OC)cc2OC)n1Cc1ncnn1C(C)(C)C 1507709363 TZMSPJOVCSSPNW-UHFFFAOYSA-N 453.547 2.443 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c(-c2cnccn2)nnc1N1CC[C@@]2(CNC(=O)C2)C1)C(C)C 1508015037 ZWYBZBWLKITWMW-GBXCKJPGSA-N 450.591 2.150 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1508075072 WAAUYOXJQUSOOS-UHFFFAOYSA-N 484.586 2.159 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCC[C@H](N2CCCC2)C1 1508095293 VOIVWWDVULKSML-IBGZPJMESA-N 454.575 2.233 30 10 JEEE C=CCOc1ccc(Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CC(=O)N(C)C[C@@H]2C)cc1 1508103299 BILDEMADHWJBCY-JLMWRMLUSA-N 455.559 2.282 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1508142819 VHOGZPAGXQHGBW-UHFFFAOYSA-N 475.663 2.209 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1508149422 UPKMVPXXHVIFSM-YZZKKUAISA-N 494.589 2.370 30 10 JEEE CCc1ccc([C@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)N(C)C)cc1 1513622695 HCXCKMONLIBKQG-JTAQYXEDSA-N 474.606 2.487 30 10 JEEE CNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN(C)C(=O)OC(C)(C)C)CC1 1517606834 AKTSQNVNXSEMIF-UHFFFAOYSA-N 468.562 2.145 30 10 JEEE COc1ccc(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@H]2CCCN2CCCO)cc1 1518329691 HATBTOZOGMSRTK-WZONZLPQSA-N 458.538 2.154 30 10 JEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2nn(C(C)C)c(=O)c3ccccc23)c1 1535253778 ZTGGFUKJRZYBMO-UHFFFAOYSA-N 458.518 2.464 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1CCCOc1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 1539210873 HNJXKHHEXYEJNF-IBGZPJMESA-N 483.594 2.388 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H](C1CCCCC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1539215924 LPHDCTWIWKQGMW-CTNGQTDRSA-N 458.632 2.410 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@H]1CCCN(C(C)=O)C1 1539259877 JUKCZSXMSAWVIB-OAQYLSRUSA-N 485.592 2.396 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@]2(OCC)CCOC2)n1CC1(S(C)(=O)=O)CC1 1539385005 TWAUYAXOXCHPLY-HSZRJFAPSA-N 476.574 2.286 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@@]2(O)CCO[C@H]2C)CC1 1539434884 XBHRRVMIQIVZGN-BTYIYWSLSA-N 478.366 2.142 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(C)(C)c2cccc(F)c2)CC1 1539447308 QETXFXFDUMIMIS-SFHVURJKSA-N 459.591 2.052 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CC2C[C@H](C)O[C@@H](C)C2)CC1 1539459565 JZWSWFDHMLRRPG-ROUUACIJSA-N 456.616 2.228 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCc2cccc(C(=O)N(C)C)c2)CC1 1539490210 SVSMUCDUNMUEPE-JOCHJYFZSA-N 478.597 2.040 30 10 JEEE C=C(Cl)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1539779435 XBYWHPJTOIZHDD-RTBURBONSA-N 469.030 2.278 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCO[C@@H]2CCCC[C@@H]2C)CC1 1539847105 AABJUMMGFIZFHL-ZCNNSNEGSA-N 467.636 2.363 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1539902235 BVUZFLCUTNQXPG-QZTJIDSGSA-N 468.668 2.180 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1CN1CCC(O)CC1 1540167887 GQINEHMFNXZRAT-JOCHJYFZSA-N 450.587 2.413 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1540905125 QBYHTBJEBQTJAV-LJQANCHMSA-N 493.033 2.163 30 10 JEEE C[C@]1(C#N)CCCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCNC(=O)C2CC2)C1 1541987783 FWAYWTFOLHLUFK-JOCHJYFZSA-N 456.572 2.005 30 10 JEEE CCO[C@@]1(c2nnc(N3CCCN(Cc4ccc(C#N)cc4)CC3)n2CC(=O)NC(C)C)CCOC1 1547908741 BXUJULVPFSDGNE-SANMLTNESA-N 495.628 2.039 30 10 JEEE COC1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(CC(=O)N(C)C)CC2)CCCCC1 1554713409 BUQNXGOSFQBCOO-UHFFFAOYSA-N 465.602 2.376 30 10 JEEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)N2CCC(OC)CC2)CC1 1555584379 FQPZZYZLRDPPTB-UHFFFAOYSA-N 481.645 2.475 30 10 JEEE C#CCN1CCN(C(=O)CN(CC(=O)OCC)[C@@H](C)c2cccc(Br)c2)CC1 1559668854 NQJGDPUSENUOJW-KRWDZBQOSA-N 450.377 2.153 30 10 JEEE C=CCS(=O)(=O)CCNC(=O)N1CC[C@@H](C(F)(F)F)[C@H](CNC(=O)OC(C)(C)C)C1 1564417265 QFGSELKQCSPIRO-ZIAGYGMSSA-N 457.515 2.322 30 10 JEEE C=CCn1ncc2ccc(NC(=O)[C@@]34CN(C(=O)OC(C)(C)C)C[C@@H]3CS(=O)(=O)C4)cc21 1585551582 GHNGVSHJPLSCTL-OPAMFIHVSA-N 460.556 2.443 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(O)CCN(C(C)C)CC1 1587580790 SAVVCNIBYAOAQB-SFHVURJKSA-N 459.616 2.042 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2OC)n1Cc1ccc(-n2cncn2)nc1 1588200264 JRBNDYZJHZETMD-UHFFFAOYSA-N 468.521 2.449 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCOC[C@H]1OC 1588697148 QIHJQMIJAPLRFB-HSALFYBXSA-N 477.606 2.488 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CC[C@H]2CCCCO2)CC1 1588961850 OLAIGUAQFJYBQV-OAQYLSRUSA-N 453.591 2.065 30 10 JEEE C#CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCNC(=O)C(C)C 1589068723 DFXOVLYGKYPFLB-GOSISDBHSA-N 494.662 2.161 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C(F)F)C1 1589544473 HVAYJKNVFUMQBD-XDNAFOTISA-N 489.589 2.074 30 10 JEEE C=C(C)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1593605145 GDMWDHDOBCUXLX-UHFFFAOYSA-N 454.531 2.449 30 10 JEEE C=CCN(CCc1ccco1)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCCN(C(C)=O)C1 1595261558 RLDUSXJQJCMOLZ-HXUWFJFHSA-N 454.575 2.487 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](c2ccsc2)O[C@H](C)C1 1595603111 XYAMCGQGWDOLDP-HNAWSFBYSA-N 461.588 2.332 30 10 JEEE CC(C)N1CCC(N2CCN(c3nnc(-c4cccc(C#N)c4)n3CCC(=O)N(C)C)CC2)CC1 1608052500 FBNXGLQUBOIQMS-UHFFFAOYSA-N 478.645 2.290 30 10 JEEE CC1CCN(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCN(CC(=O)NC(C)C)CC2)CC1 1612871920 FFTILDIDIBWEOI-UHFFFAOYSA-N 478.645 2.195 30 10 JEEE CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@H]2CCO[C@H](C)C2)CC1 1615938448 GWWDPSNSOMLSPP-UXHICEINSA-N 465.602 2.280 30 10 JEEE CNC(=O)C(C)(C)Cn1c(Cc2ccccn2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1618521279 DUQRXSKIXWRMCJ-UHFFFAOYSA-N 476.560 2.373 30 10 JEEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1CCn1cc(Br)cn1 1618535212 IDLKIMUBJOSMPR-CQSZACIVSA-N 471.363 2.294 30 10 JEEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H](CO)CN(C)C)c1 1626966956 XKXYUYUQHSQKCC-MRXNPFEDSA-N 451.976 2.374 30 10 JEEE COc1cc(OC)cc(N2CC[C@H](CNC(=O)N3CCN(c4cc(C#N)ccn4)CC3)C2)c1 1633163356 GHSWWHZEPCFCLO-LJQANCHMSA-N 450.543 2.329 30 10 JEEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@](C)(C(N)=O)c2cccc(C(F)(F)F)c2)cc1 1634660750 KPSFOTFRBIEHSG-IBGZPJMESA-N 455.458 2.300 30 10 JEEE C#CCNS(=O)(=O)N1CCN(Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)CC1 1653017236 UGSQMWNJANCFLR-UHFFFAOYSA-N 453.543 2.264 30 10 JEEE C#CCNS(=O)(=O)N1CCN(C(=O)NCC2(Sc3ccc(C)cc3)CCCC2)CC1 1679723526 AYEYGHWZOQWCHL-UHFFFAOYSA-N 450.630 2.195 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCCN(C)S(=O)(=O)CC 1689834195 ZFXKDCCPNUAFHQ-KRWDZBQOSA-N 455.588 2.465 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1C[C@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1689996274 GIUWNHGMUSXFRN-AUSIDOKSSA-N 460.600 2.262 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@@]2(O)CCO[C@H]2C)CC1 1690132411 PJCMTGNEXREWFI-FNZWTVRRSA-N 467.614 2.450 30 10 JEEE C#CCSCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)CCN1CCOCC1 1690159860 OWORYDFLHPSJMX-UHFFFAOYSA-N 451.600 2.470 30 10 JEEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1690162017 YLCPBOOKWXGCLA-UHFFFAOYSA-N 477.638 2.318 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)CCC 1690245565 JXTCYPWDABLZKD-WTGUMLROSA-N 469.652 2.465 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1690245653 LESRSYWIYWFNPD-NZQKXSOJSA-N 467.618 2.276 30 10 JEEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CC[C@]2(CCOC2)O1 1690518523 MUZYEANZUPQDEV-PGRDOPGGSA-N 461.588 2.156 30 10 JEEE C=CCN(CCOC)c1nnc(-c2ccccn2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1690615311 ACYAFXMBRRVHKN-ICSRJNTNSA-N 460.604 2.183 30 10 JEEE C=CCn1c(N2CCCN(S(=O)(=O)c3ccccc3)CC2)nnc1[C@@]1(OCC)CCOC1 1690653390 OJUVXEBVTBFMSZ-JOCHJYFZSA-N 461.588 2.017 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN(c2cnn(C)c2)CC1 1690660276 CYFNYMLNJZXBAR-FQEVSTJZSA-N 478.601 2.397 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@](C)(c2ccccc2)C1 1690731184 BYKASTXTKOVBSP-PTLVVNQVSA-N 490.626 2.355 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCO[C@@H](c3ccco3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1690732043 UINVROPRDPQFIG-DENIHFKCSA-N 480.587 2.090 30 10 JEEE N#Cc1ccc(OCc2nnc(N3CCC(C(N)=O)CC3)n2CCC(=O)NC2CCCCC2)cc1 1698488697 HULAFJYUYDYTAS-UHFFFAOYSA-N 479.585 2.269 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCn1cc([C@@H]2CCOC2)cn1 1705482204 UVXVGDYEQCPIHG-IEBWSBKVSA-N 468.583 2.207 30 10 JEEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCn1cc([C@@H]2CCOC2)cn1 1705544277 KRBNLKUPCAQZFH-QGZVFWFLSA-N 466.542 2.441 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(F)ccc2Br)n1Cc1nnnn1CC1CC1 1705575434 KLKJXKPSMKECRJ-UHFFFAOYSA-N 469.322 2.364 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2CC2CCN(C(=O)OC)CC2)CC1 1705636457 KZRAFNSQADGYBE-UHFFFAOYSA-N 452.559 2.187 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCCS(=O)(=O)c2ccccc2)CC1 1705649354 UOWBZOJPEHZPED-UHFFFAOYSA-N 492.605 2.170 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2CC(C)(C)C(=O)NCC)CC1 1705650425 RIRASZNFSSTZSY-UHFFFAOYSA-N 464.614 2.305 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1705762334 VFFUMBAZZAVFNB-IAGOWNOFSA-N 467.014 2.122 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCO[C@H](Cc2ccccc2)C1 1705932062 JXQLWPHUZWPDCJ-HXUWFJFHSA-N 453.568 2.389 30 10 JEEE CCN(c1nnc(COc2ccc(C#N)cc2)n1CCCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1709971439 FUBVDDLLBJFBAW-FQEVSTJZSA-N 483.598 2.337 30 10 JEEE COCCN1C[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@](C)(OC)C2)CC1=O 1712468532 FKZYEQMJUHMEOI-YADARESESA-N 452.559 2.317 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1722284998 ROANGQWJYJOUPF-XGIGFIBQSA-N 461.526 2.132 30 10 JEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CC)Cc1nc(O)c2sccc2n1 1722332316 IRAFIWOLNAYTPK-AWEZNQCLSA-N 460.585 2.330 30 10 JEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1722339169 XFVZAWWAPAQOAI-UHFFFAOYSA-N 478.578 2.351 30 10 JEEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCc1nnc2n1CCCCC2 1722342687 VFMRPGXXKSLZGZ-UHFFFAOYSA-N 466.977 2.492 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1CC(C)(C)N[C@@H](C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1722361698 OJXKNAQUIVLVPC-FPOVZHCZSA-N 493.637 2.491 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2nc(C)cc(OCC)n2)CC1 1722493122 FYGLJWPGLBWFHL-FPOVZHCZSA-N 498.632 2.221 30 10 JEEE C=C(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(CC(F)(F)F)CC1 1722522003 MSAISXYFTZMPIC-UHFFFAOYSA-N 457.526 2.499 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1C[C@@]1(N2CCOCC2)CCSC1 1722679556 FRBJCZKMDSPYDR-UGKGYDQZSA-N 451.637 2.366 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccnc(OCC(F)(F)F)c2)C1 1722715523 TVWCCBVDSIEYGK-JKSUJKDBSA-N 466.464 2.395 30 10 JEEE C[C@H]1COC(C)(C)CN1c1nnc(COc2ccc(C#N)cc2)n1CC(=O)NCC(F)(F)F 1731155733 HJWUYIUPPQQANU-AWEZNQCLSA-N 466.464 2.411 30 10 JEEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(CC(=O)Nc2c(C)cccc2C)CC1 1740579394 OVWLOOKISBGQSA-UHFFFAOYSA-N 465.602 2.207 30 10 JEEE C#CCN(CC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCS(=O)(=O)N1CCSCC1 1740662642 VNQMBCVDOWZDDU-KRWDZBQOSA-N 481.619 2.395 30 10 JEEE C#CCN1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CCC(C)(F)F)CC1 1740692394 JUDDKLFJAPNCBF-UHFFFAOYSA-N 465.574 2.347 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@H]2CCOC[C@@H]2C)CC1 1740696629 ZENNWZLQDGMTBW-ACRUOGEOSA-N 488.633 2.014 30 10 JEEE C=C1CCN(c2nnc(CCN3CCN(c4ccccc4)CC3)n2CC(=O)NCCC)CC1 1740828192 CNKZBFYRAWYFFN-UHFFFAOYSA-N 451.619 2.325 30 10 JEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CC(=O)N(c3ccccc3)C2)CC1 1740833532 RYNKLXITPDAOIX-IEBWSBKVSA-N 472.615 2.344 30 10 JEEE C=CC1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCNS(=O)(=O)CC)CC1 1740837113 XFNYMGOTTUULDC-UHFFFAOYSA-N 457.398 2.377 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1OCCC1(C)C 1740937988 UZGOSWNERSSOQI-WOJBJXKFSA-N 493.630 2.254 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1CCc1ccn(-c2ccc(F)cc2)n1 1741903955 GDNQEGIOXJKBCI-HOTGVXAUSA-N 474.566 2.194 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCS(=O)(=O)Cc1ccccc1 1748641610 IREQINMEGPVYJE-WMZHIEFXSA-N 460.600 2.392 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)Cc1cccs1 1748670968 FPRKVROJPFHHSR-RYRKJORJSA-N 451.618 2.009 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CC(C)(C)CN(C)C)c1 1748689528 CLGAQECYULMBJO-UHFFFAOYSA-N 453.591 2.060 30 10 JEEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1748703383 OPLWDYZQEUSNJS-UHFFFAOYSA-N 499.637 2.227 30 10 JEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccccc1OCCOC 1748784919 VFNLRFLQWDHDKN-UHFFFAOYSA-N 468.583 2.381 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1Cc1c(F)cccc1Cl)[C@@H]1CCS(=O)(=O)C1 1748805456 SBKLHEWFHKDXRB-ZHRRBRCNSA-N 496.992 2.398 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1CCN(C)CCCC)[C@@H]1CCS(=O)(=O)C1 1748809398 MLGXZMIFGCAQRE-LJQANCHMSA-N 473.599 2.032 30 10 JEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1CC1([S@](C)=O)CCC1)[C@H]1CCS(=O)(=O)C1 1748819107 KRNMEYYIRMGACN-RQZFFVEVSA-N 495.070 2.450 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC(=O)N(C)CC 1748886904 PEDDVAHFSYRCQR-UHFFFAOYSA-N 459.554 2.177 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CCc2ccc(OC)cc2)CC1 1749017109 WRZBAVQOLHESJA-UHFFFAOYSA-N 458.566 2.481 30 10 JEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)CC(=O)N(C)[C@@H](C)c1ccccc1 1749033217 BARYTXGDXBKAQG-HKUYNNGSSA-N 454.600 2.251 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCCCNC(=O)OC(C)(C)C 1749053078 BBBZXGMGKZPYTL-HRAATJIYSA-N 468.624 2.185 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)CCc1nccs1 1749119087 NCQUXBYBAVXVLQ-INMHGKMJSA-N 454.622 2.005 30 10 JEEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(OC[C@@H]2CCCCO2)CC1 1749268472 AUKLANRPBLDKHY-WMZOPIPTSA-N 459.012 2.487 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)CC 1749552863 CBPRFBCXIKBLKL-FXAWDEMLSA-N 469.633 2.026 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCN(CCC(C)(C)C)CC1 1749676458 QXYSRPHGOPGRMF-UHFFFAOYSA-N 464.618 2.377 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(=O)NCC)CC1 1749724608 KONPVTYKEHQUSK-KRWDZBQOSA-N 494.593 2.010 30 10 JEEE CC(C)(C)S(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](Cn2cccn2)C1 1750517954 GQWCAGHGMHDYHC-FQEVSTJZSA-N 483.598 2.132 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@H](OC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1760189378 IINPAHQTFCLSFB-CTNGQTDRSA-N 460.600 2.175 30 10 JEEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1760276078 SCBLQRHOJMGRBU-HSZRJFAPSA-N 489.667 2.016 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccs1 1760322165 ORSPBLSZMLWTGA-UHOSZYNNSA-N 481.644 2.290 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1760326380 WOKFRSNCYRYLJL-KNQAVFIVSA-N 474.631 2.153 30 10 JEEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1760407955 VZEGRPLNGMLIER-LJQANCHMSA-N 480.617 2.271 30 10 JEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](CN2CCCCC2)C1 1760450900 VFRXKYREBDHVHR-WOJBJXKFSA-N 451.637 2.085 30 10 JEEE C=CCCOCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1760453090 NLNSKTCFBXYAPC-GUDVDZBRSA-N 486.621 2.321 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@H]1c1nncn1C 1760523600 CPFYNIYZNPDLAK-MSOLQXFVSA-N 499.620 2.165 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCC[C@@H](OC(C)(C)C)C2)nnc1[C@@]1(OCC)CCOC1 1760558775 ZJMUKUYRVZUOFX-XMSQKQJNSA-N 470.636 2.315 30 10 JEEE CC(=O)N1CCCN([C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3C[C@@H](C)N(C)C)C[C@H]2C)CC1 1760601438 BKIWRCDBXBSGQP-YOSAUDMPSA-N 478.645 2.146 30 10 JEEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCOc1ccc(Cl)cn1 1764919283 HGQXVWQXBUEDGM-HNNXBMFYSA-N 453.938 2.345 30 10 JEEE COC[C@H]1CCCCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)C1 1770897312 GZLQUFZZSMVPQX-FQEVSTJZSA-N 488.614 2.017 30 10 JEEE O=C1CSC(=O)N1CCNC(=S)N/N=C/c1cc(Cl)cc(Br)c1O 1860500571 YBDMCWFMFWAEOY-YAXRCOADSA-N 451.755 2.302 30 10 JEEE CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CCN2CCOCC2)ccc1O 1862634358 XBZYKQIOEMTTEE-HSZRJFAPSA-N 496.516 2.430 30 10 JEEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccc2c(c1)OCCO2 1862745803 SBKKHCFHVFZZGR-HXUWFJFHSA-N 467.434 2.080 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)[C@@H](C)Oc3cccc4c3C(=O)N(CCN(C)C)C4=O)cc21 1865812388 CMGASCOINOCFGQ-MRXNPFEDSA-N 477.517 2.406 30 10 JEEE COCCCN1C(=O)c2ccc(C(=O)Nc3c(C#N)nnn3-c3ccc(F)c(F)c3)cc2C1=O 1870141982 UZNKJNZHLSGDAL-UHFFFAOYSA-N 466.404 2.302 30 10 JEEE C=CCn1cc(OCC(=O)Nc2ccc(C(=O)OCCC)cc2)c(=O)cc1CSc1nnnn1C 1870245592 WDBWZSJRSSRSBW-UHFFFAOYSA-N 498.565 2.434 30 10 JEEE CCCCCCCCN=c1nc(N2CCN(CCO)CC2)[nH]c(=Nc2cccc(OC)c2)[nH]1 1871667028 OSNQDGZQXHFFFI-UHFFFAOYSA-N 457.623 2.354 30 10 JEEE COc1ccc(OCc2nnc(SCC(N)=O)n2/N=C/c2ccc(OC)cc2OC)cc1 1874292737 OHEBTOSOSFQERW-FOKLQQMPSA-N 457.512 2.343 30 10 JEEE COCCc1nnc(SCC(N)=O)n1/N=C/c1cc(Br)cc(Br)c1O 1874470470 HIWBRCBNFNKCQR-NGYBGAFCSA-N 493.181 2.157 30 10 JEEE CCN1CCN(CC#CCOC2CCN(C(=O)CCCS(=O)(=O)c3ccc(F)cc3)CC2)CC1 1890441194 ZUKBTKBNSOXKCC-UHFFFAOYSA-N 493.645 2.028 30 10 JEEE C=C1C[C@@H]2[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3[C@@H](O)C[C@@]2(C)[C@]2(C(=O)OC)C(=O)[C@@](C)(O)C(=O)[C@@]12C 2112709503 GPBILLRAZPFRLM-JYKLRXHHSA-N 460.567 2.414 30 10 JEEE CC(C)(C)OC(=O)NCc1cc(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)ccn1 2180971144 WPLDRYREIOHWAG-UHFFFAOYSA-N 455.324 2.448 30 10 JEEE COC1(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CCN(C(=O)OC(C)(C)C)CC1 2180980489 JFHXKCQCJSPJRH-UHFFFAOYSA-N 462.356 2.130 30 10 JEEE CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[C@@H]2C[C@]2(B2OC(C)(C)C(C)(C)O2)C1)C1CS(=O)(=O)C1 2197504471 IOIJZBHDWFYGOH-VVBPWWLESA-N 484.424 2.009 30 10 JEEE CCOC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCN1c1ncccc1B1OC(C)(C)C(C)(C)O1 2241050537 XYSPXDXTXYJVGH-QGZVFWFLSA-N 461.368 2.370 30 10 JEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC1CN(C(=O)OC(C)(C)C)C1 2247953091 RUCFEOOKLDVCKG-UHFFFAOYSA-N 458.411 2.253 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NCC2(O)CCN(C(=O)OC(C)(C)C)CC2)C1 2255155790 IVZQWUGIILGOMX-UHFFFAOYSA-N 451.564 2.171 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N[C@@H]2[C@@H](NC(=O)OC(C)(C)C)C[C@@H]2OCC)C1 2255160692 SHKIXLKPGWSHPH-MDUOQUAUSA-N 451.564 2.480 30 10 JEEE CN(C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)[C@H]1CC[C@H]1NC(=O)OCc1ccccc1 2255643012 OJWPURBHGKCJOX-MOPGFXCFSA-N 466.347 2.305 30 10 JEEE CC(C)(C)OC(=O)N1CC(CNS(=O)(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2255751996 FFZGVYKTYVZQQL-UHFFFAOYSA-N 452.382 2.131 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)[C@@H](C(=O)O)C1 2267214028 KTPQXNZXOKENBG-CQSZACIVSA-N 466.365 2.193 30 10 JEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1C[C@@H]2C(NC(=O)OC(C)(C)C)[C@H]2C1 2267423685 PSMZINIFHPEQSD-KBPBESRZSA-N 484.449 2.499 30 10 JEEE C[C@@H](CCNC(=O)OC(C)(C)C)N(C)S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2267703888 DKSXVQQOKLXDGX-HNNXBMFYSA-N 469.413 2.305 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N=[S@](C)(=O)CCNC(=O)OC(C)(C)C 2269709068 LLPVOAZGEJSCHY-JGCGQSQUSA-N 467.397 2.452 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@@H](C(=O)N3CCC(B4OC(C)(C)C(C)(C)O4)CC3)O[C@H]2C1 2279910997 ACZBAWWRUQESDN-BZSNNMDCSA-N 466.384 2.475 30 10 JEEE CC1(C)OB(c2ccc(C(=O)NC[C@H]3CNCCN3Cc3ccccc3)c(F)c2)OC1(C)C 2281758097 GGOUDPVFIWHYGW-HXUWFJFHSA-N 453.367 2.329 30 10 JEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@H]1CN(C)CCN1Cc1ccccc1 2281808860 FDUYQFLPNQNTTG-FQEVSTJZSA-N 453.392 2.433 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@]23CC[C@H]2CN(C(=O)OC(C)(C)C)C3)n1 2281992437 NSQYGULKNHQLQN-NPMXOYFQSA-N 460.384 2.332 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCc2ccnc(NC(=O)OC(C)(C)C)c2)n1 2282034139 DEWDBPQEBNTZQU-UHFFFAOYSA-N 457.340 2.391 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H](O)C2)c1 2282110691 QHHKTTWZBBBFMC-LJQANCHMSA-N 460.380 2.348 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@]1(NC(=O)OC(C)(C)C)CCOC1 2282127015 RTYZVGKLKYXVSJ-HSZRJFAPSA-N 463.384 2.221 30 10 JEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCC1(CCOCc2ccccc2)CC1 2282345132 YFRWHCJIRDANIA-UHFFFAOYSA-N 475.420 2.385 30 10 JEEE CN(CC1CCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CC1)C(=O)OC(C)(C)C 2282534318 SYFGYGRSVUSLNB-UHFFFAOYSA-N 462.400 2.438 30 10 JEEE CCn1cc(C(=O)N[C@]23CCN(C(=O)OC(C)(C)C)C[C@@H]2C3)nc1B1OC(C)(C)C(C)(C)O1 2282541413 XMMKZNFMKGSDTR-WNSKOXEYSA-N 460.384 2.332 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2282592981 KSZDEBYRTNHOBJ-CVEARBPZSA-N 460.384 2.109 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC[C@H]1CCCCN1Cc1ccccc1 2282854185 OKRIDHGLYAJURF-LJQANCHMSA-N 474.436 2.052 30 10 JEEE C[C@@H](c1nscc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)[C@H]1C[C@H](O)CN1C(=O)OC(C)(C)C 2283954856 BKMCPWRDYOFEIN-OFQRWUPVSA-N 481.424 2.332 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCN(CC(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2283976123 ZEHBPBJZQCXCJJ-OAHLLOKOSA-N 464.347 2.057 30 10 JEEE CC(C)(C)OC(=O)N[C@@]1(C(=O)NCCc2ccccc2B2OC(C)(C)C(C)(C)O2)CCOC1 2283981908 RHBSIYBTKKLQEX-DEOSSOPVSA-N 460.380 2.328 30 10 JEEE CN(Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)C1(CO)CN(C(=O)OC(C)(C)C)C1 2283986579 FTCCTTGKYUUYQF-UHFFFAOYSA-N 460.380 2.174 30 10 JEEE CC(C)(C)OC(=O)N[C@@]1(C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C[C@H](O)C1(C)C 2284050976 HEDHEELQBXKAPN-NPMXOYFQSA-N 461.368 2.374 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)n1C 2362332016 KZXOFTPMXOYJMV-CVEARBPZSA-N 462.400 2.451 30 10 JEEE Cc1nn(C)c(C(=O)N(C)[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2F)c1B1OC(C)(C)C(C)(C)O1 2369668826 GCTAFKAGORUTDS-CABCVRRESA-N 466.363 2.057 30 10 JEEE COc1ccc(CN/C(=N\C(=S)NCCCN2CCOCC2)Nc2nc(C)cc(C)n2)cc1 14156714 INDHTQJEVHMOLY-UHFFFAOYSA-N 471.631 2.257 30 10 JEEE Cc1cc(C)nc(N/C(=N/C(=S)NC[C@@H]2CCCO2)NCCSCc2nc[nH]c2C)n1 14159292 GZFSVKYJPPBXDE-INIZCTEOSA-N 462.649 2.469 30 10 JEEE COc1ccc(CNC(=O)CSc2n[nH]c(N/N=C/c3cc([N+](=O)[O-])ccc3O)n2)cc1OC 58997310 BDZOQGOLKSVZPL-LSHDLFTRSA-N 487.498 2.290 30 10 JEEE CSc1ccc([C@H]2c3c(nc(N4CCC5(CC4)OCCO5)[nH]c3=O)NC(=O)[C@@H]2C#N)cc1 72444345 AHWGDHFZUBSQBE-HZPDHXFCSA-N 453.524 2.059 30 10 JEEE CCc1noc(-c2ccc(CCNC(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)cc2)n1 609043264 IAYHWPOQXTVWJY-UHFFFAOYSA-N 494.577 2.429 30 10 JEEE C#CCN(C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc32)c1)[C@H]1CCS(=O)(=O)C1 729332573 ZWEHQNUSOFREQI-SFHVURJKSA-N 493.006 2.354 30 10 JEEE N#C[C@H](C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1)C(=O)[C@@H]1CCCN(C(=O)C2CC2)C1 729887773 CFBDIIZIQILBDW-NQIIRXRSSA-N 486.594 2.157 30 10 JEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCC(=O)Nc1cc(Cl)ccc1Cl 1135641566 GMSZDFZPTULGMK-NSHDSACASA-N 455.323 2.287 30 10 JEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC=C(c2ccc3c(c2)OCCO3)CC1 1137840797 FIODHFRALMFJOV-INIZCTEOSA-N 453.520 2.312 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H](c1cccc(OC)c1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1286386516 BQEKHSUGGPSTDL-FYYLOGMGSA-N 494.621 2.278 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H](C)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1286388480 PSVYXWKSKXMEDY-SJLPKXTDSA-N 496.008 2.085 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1cc(F)cc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1286395679 STGNMMBFINYGHE-HXUWFJFHSA-N 469.542 2.087 30 10 JEEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1286500828 ZZCATGRKRJYTOZ-HTAPYJJXSA-N 476.624 2.099 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccccc2OC)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1286559265 VRSYMNUSAYOBDW-GREBRCKQSA-N 489.642 2.329 30 10 JEEE C=C(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1286599493 WARRZSDQEGYVMT-INIZCTEOSA-N 473.578 2.447 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCN(Cc2cccs2)CC1 1286727524 SECVFEVLXVUCRU-FQEVSTJZSA-N 494.687 2.207 30 10 JEEE C[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)c2ccccn2)CC1)N(C)C 1288672709 BGBBJOMAQYONIC-IBGZPJMESA-N 474.569 2.036 30 10 JEEE COc1cc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3ccc(C#N)cn3)CC2)ccc1C 1299880116 GXUBJTGBJASJMB-UHFFFAOYSA-N 474.569 2.375 30 10 JEEE C#CCN(CC)c1nnc(Cc2csc(C)n2)n1CC(=O)N1CCN(c2ccccc2)CC1 1300629665 CYFBUIIVVHXTIA-UHFFFAOYSA-N 463.611 2.442 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1300683969 VGLRURJELHFSKX-PXNSSMCTSA-N 454.550 2.227 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(CC)CCS(C)(=O)=O 1300869596 MUNCXVKTBLQQNH-QUCCMNQESA-N 496.655 2.201 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 1300991112 PLCBRRHNHKJHJK-KRWDZBQOSA-N 461.544 2.244 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1cccc(Br)c1 1301474435 AAUGDMCRSQTJHX-UHFFFAOYSA-N 461.364 2.215 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CCN(CCOCC)CC1 1301483461 PBWXEEHBJIPCHT-UHFFFAOYSA-N 463.586 2.262 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC[C@H](CC(N)=O)C1 1301490800 ZZRKHUMGWRNRJP-OAHLLOKOSA-N 475.391 2.410 30 10 JEEE C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)N[C@@H]2COC[C@@H]2O)ccc1Cl 1302156270 LROPYZXGAFUEKB-MSOLQXFVSA-N 454.907 2.350 30 10 JEEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1CC1CN(C(=O)OC(C)(C)C)C1 1306243379 HUPUNWZWVUFRRN-LJQANCHMSA-N 465.558 2.398 30 10 JEEE CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C[C@@H](C)O1 1306409033 HAQKMWCYPGOTKE-IMFGXOCKSA-N 458.588 2.102 30 10 JEEE CCOC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)C(C)(C)C)CC1 1314018563 BCNPBFILCKKERU-UHFFFAOYSA-N 474.587 2.309 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCCS2)c1 1358900505 LYJVMGWOLSRTJZ-IBGZPJMESA-N 452.584 2.466 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1c(C)coc1C)[C@H]1CCS(=O)(=O)C1 1358966056 HENGVYXDFUYNKV-IBGZPJMESA-N 456.572 2.025 30 10 JEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC(NC(=O)c2cc(C)oc2C)CC1 1359048410 PYORLGMHKYKVTD-UHFFFAOYSA-N 472.615 2.391 30 10 JEEE C#CCSCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC(NS(C)(=O)=O)CC1 1359048954 FEGUKIKOXALRSO-INIZCTEOSA-N 481.619 2.442 30 10 JEEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1359050764 BYQCERHXWZUUGW-XXBNENTESA-N 477.638 2.172 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1359096042 WBZMUNZTNQPSQU-QIJUGHKUSA-N 485.585 2.285 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@H](C(C)C)C1 1359098834 GVEUALBBPFIPKD-ZRNYENFQSA-N 499.703 2.170 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(S(=O)(=O)CC)CC1 1359118347 CUQDWAPDOUJNRT-UHFFFAOYSA-N 452.602 2.328 30 10 JEEE C=CCn1c(-c2cc(Br)cn2C)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1359284028 LGHWIBPCBWIINL-UHFFFAOYSA-N 464.412 2.223 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1359304161 OHZZXPYFAVDJOQ-WOJBJXKFSA-N 452.559 2.024 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCNC(=O)C(C)(C)C)C1 1359321940 NRTPPWAFRVFQGI-FQEVSTJZSA-N 482.633 2.396 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@H](C(=O)OC)C1 1359335838 WNSOKRRKQCDVSW-SFHVURJKSA-N 462.572 2.074 30 10 JEEE CC(C)[C@](C)(O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1360670239 GLSJLIUVPSDSLI-GAJHUEQPSA-N 472.615 2.461 30 10 JEEE N#Cc1ccc(CN2CC[C@@H](NC(=O)N[C@@H](CO)c3ccc(Br)cc3)C2=O)cc1 1478567048 DXNMAHRXMKPAQY-MOPGFXCFSA-N 457.328 2.454 30 10 JEEE Cc1nccnc1CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(S(C)(=O)=O)CC1 1492713267 DDCNYSMWOQHVLK-UHFFFAOYSA-N 451.556 2.171 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@@H]1CCCN1CC 1497055527 FIKQSLQNUALGLA-QUCCMNQESA-N 494.648 2.058 30 10 JEEE CNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 1503808495 HNMVPSYETFJGMR-MRXNPFEDSA-N 453.547 2.398 30 10 JEEE COCCN(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(F)(F)F)CC1 1504848582 HCTIINGQMIVGRN-UHFFFAOYSA-N 465.524 2.469 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCCCS1)[C@H]1CCS(=O)(=O)C1 1507638792 GQOVGANNNPXBHE-RBUKOAKNSA-N 462.645 2.052 30 10 JEEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC=C(c2ccc(O)cc2)CC1 1507837001 GIRWBPIMJHOZIJ-KRWDZBQOSA-N 461.588 2.480 30 10 JEEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 1507961553 BGOUGYONMLJIHM-LJQANCHMSA-N 454.579 2.062 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1508071389 IVCFIMKEDWVLMH-HKUYNNGSSA-N 472.977 2.169 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(C(=O)c2ccccn2)CC1 1508071703 BPDZESDXLOIHLT-SFHVURJKSA-N 493.543 2.217 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@@]2(C)CN(C)C2=O)C1 1508114822 CEOPDKAMAUUUEY-BXKMTCNYSA-N 471.558 2.231 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cn2ccc3ccccc32)nnc1N1CCN(CC(F)F)CC1 1508142385 CUKWVHTYMGCPFZ-UHFFFAOYSA-N 478.569 2.269 30 10 JEEE Cc1ccc(NC(=O)[C@@H]2CCCN(c3nnc(-c4ccc(C#N)cc4)n3CC(=O)N(C)C)C2)nc1 1510948715 HXUGXRLDMVYAAM-HXUWFJFHSA-N 472.553 2.464 30 10 JEEE N#Cc1ccc(OCc2nnc(N3CCC[C@H](CC(N)=O)C3)n2CCCN2CCCC2)cc1 1521101303 AYKRXNRYSFHSIR-HXUWFJFHSA-N 451.575 2.306 30 10 JEEE C#CCOc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2OCC)cc1 1521562870 SDYFSSXSUOHZBO-UHFFFAOYSA-N 457.552 2.286 30 10 JEEE CC(C)(C)S(=O)(=O)N1CCC(NC(=O)COc2ccc(C#N)c(Br)c2)CC1 1521793824 HAIXCBSCCZVSMG-UHFFFAOYSA-N 458.378 2.408 30 10 JEEE C#CCCCn1c(Cc2c(F)cccc2F)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1539124017 IYWGYGZSBAJRNZ-FQEVSTJZSA-N 456.497 2.327 30 10 JEEE C#CCCCn1c(Cc2csc(C)n2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1539128154 VSWGFJUJSQZSFN-UHFFFAOYSA-N 455.632 2.182 30 10 JEEE C#CCN(c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C/C=C\CC)[C@H]1CCS(=O)(=O)C1 1539215358 ALRYJQCUQOAXGO-VOCYLRNQSA-N 480.594 2.268 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@@H](CC)OC)[C@H]1CCS(=O)(=O)C1 1539230292 LIGOUBVXVNMGQA-ZWKOTPCHSA-N 450.536 2.048 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(Cl)s1)[C@@H]1CCS(=O)(=O)C1 1539230675 JZZGQXLAHQBJPX-DAYGRLMNSA-N 485.031 2.392 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(Br)c2)n1CCNC(=O)C1CC1 1539251961 SUTFAXGOZXRJNE-UHFFFAOYSA-N 456.344 2.315 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1cccs1)N1CCCC1 1539266140 MIJKJCXPWQGEMD-RTBURBONSA-N 457.625 2.152 30 10 JEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N(C)CC(=O)Nc1cc(F)cc(F)c1 1539490571 XQAKGRSPAXGSJN-UHFFFAOYSA-N 462.526 2.234 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(NC(C)=O)cc1 1539557257 OKYKWBKFJAZQBA-WMZHIEFXSA-N 455.584 2.373 30 10 JEEE C=C(Br)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(CC(=O)NC(C)C)CC1 1539587610 HZXXLDGMKCMNPX-UHFFFAOYSA-N 491.390 2.229 30 10 JEEE C=C(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1539716305 VWZWNBDFOQORHO-UHFFFAOYSA-N 476.541 2.362 30 10 JEEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1540019597 KFZBWEDBBBHVDQ-WZONZLPQSA-N 456.547 2.292 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 1540862163 TZUGUDPPDISHRJ-FQEVSTJZSA-N 474.993 2.322 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(c2ccccc2C#N)CC1 1540900702 FJHZPBIMWJNFAW-UHFFFAOYSA-N 451.556 2.072 30 10 JEEE CC(C)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1)N1CCCC1 1541304570 DVMGXPWHFNQLFZ-SIKLNZKXSA-N 485.658 2.407 30 10 JEEE CC(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1541402999 FXMHBZSTZHYSGG-IOMROCGXSA-N 472.615 2.348 30 10 JEEE CCN1CCC[C@@H]1CN1C[C@H](C(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)CC1=O 1546185044 FZKMXSBZDYABTL-IFMALSPDSA-N 451.571 2.068 30 10 JEEE CN(C)C(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1552679610 AIYACBBWXAWVSL-NRFANRHFSA-N 465.602 2.234 30 10 JEEE C#CC[C@@H](CO)NC(=O)c1ccc(Br)c(S(=O)(=O)N(C)c2ccccc2)c1 1556832767 HYPZSMXSVVOQQU-HNNXBMFYSA-N 451.342 2.388 30 10 JEEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1587701423 BMRBODNFEMYCPD-NRFANRHFSA-N 492.628 2.252 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](c2cccs2)N2CCCC2)CC1 1588884607 GZKVYGPYKDEEBN-FQEVSTJZSA-N 497.669 2.281 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(C(N)=O)CCOCC1 1589608962 SAGGKIZMGPXCDS-UHFFFAOYSA-N 461.588 2.033 30 10 JEEE C=C(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1589721991 KXUKCYLYQVEFHK-UHFFFAOYSA-N 484.601 2.291 30 10 JEEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1594454160 CMSSSNWWSXTZHK-KRWDZBQOSA-N 479.651 2.418 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1595517054 NPLLWUZHTLTDPC-QVKFZJNVSA-N 476.375 2.394 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1C[C@H](C)O[C@H](c2ccccc2)C1 1595784477 GRYIXUIIZOSAJI-PXNSSMCTSA-N 456.572 2.246 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1595785201 UMSANMBWUKFDSG-AEFFLSMTSA-N 476.603 2.290 30 10 JEEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1595838307 OPRKEVTYHTYGDJ-MRXNPFEDSA-N 464.617 2.248 30 10 JEEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](O)(c2ccccc2F)C1 1595845510 VCJKJHGYGQRRCR-QRWLVFNGSA-N 469.608 2.045 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1cc(Br)cs1 1611686303 DKROLAPDSZOYQJ-BONVTDFDSA-N 477.385 2.203 30 10 JEEE N#Cc1cc(F)ccc1N1CCN(C(=O)CNS(=O)(=O)c2ccc3ccccc3c2)CC1 1642899746 AQZNAGVDXXGXKU-UHFFFAOYSA-N 452.511 2.478 30 10 JEEE C=CCN1CC[C@@H](N2CCN(S(=O)(=O)c3cc(C(F)(F)F)ccc3Cl)CC2)C1=O 1644314521 ZEGKBGHANNYZCV-OAHLLOKOSA-N 451.898 2.452 30 10 JEEE N#Cc1cc(NC(=O)N2CCN(S(=O)(=O)Cc3ccon3)CC2)ccc1OC(F)(F)F 1661200789 FYEHZZSPWZGKKD-UHFFFAOYSA-N 459.406 2.124 30 10 JEEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1CC1CCCCC1)[C@H]1CCS(=O)(=O)C1 1689996188 DUGNWPNJHKRLEZ-SFHVURJKSA-N 475.640 2.477 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CC2(CC)CCOCC2)CC1 1690132308 OBGKCUWXLKBLQW-UHFFFAOYSA-N 456.616 2.232 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H]2CCCN2CC)CC1 1690140005 IBAKDSZNSOPVSS-OAQYLSRUSA-N 480.613 2.412 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2C[C@@H]2CN(CC(C)C)CCO2)CC1 1690150409 GNTSMBAJXPVHLQ-QFIPXVFZSA-N 484.670 2.253 30 10 JEEE C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C)C(C)(C)C1 1690228702 CYKIHAMCTWXSBA-DZGCQCFKSA-N 476.441 2.392 30 10 JEEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCc2cc(OC)c(OC)c(OC)c2CC1 1690674370 YMEUUSFPPCJTEA-UHFFFAOYSA-N 455.559 2.164 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC(=O)N(C)[C@H](C)C1 1690675988 LWTLUVFEZAQIOG-CYBMUJFWSA-N 467.357 2.133 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCc2n[nH]c(C)n2)C1 1690700725 WQAMSAKQBGTYLG-QZTJIDSGSA-N 488.593 2.037 30 10 JEEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1690739938 DHSUTUHCRAHYJJ-UHFFFAOYSA-N 457.526 2.493 30 10 JEEE C[C@@H]1SCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCS(=O)(=O)C2)[C@H]1C 1693880980 AFUYUMNYSPXENM-XYJFISCASA-N 461.613 2.494 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1CSCCS1)[C@@H]1CCS(=O)(=O)C1 1705571428 ZEJPHRSIIOMZFC-RTBURBONSA-N 480.656 2.483 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CCN(CC)C1 1705631106 RYKXGMCVYQWTMA-AQNXPRMDSA-N 460.623 2.477 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2CCN2CCCCCC2)CC1 1705644661 YNROZOFOQKVPEF-UHFFFAOYSA-N 471.650 2.038 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C[S@](C)=O)cc1 1705674508 KOKOHGMGNOUQJG-RLDZSICGSA-N 460.625 2.099 30 10 JEEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1705814096 CTQWTTAEOPWMMJ-RXVVDRJESA-N 459.616 2.472 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1705933579 LVUQTUKNSWENRU-KBXCAEBGSA-N 481.981 2.395 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(CC)[C@H](C)C1 1705933776 RIYDOUZDBWVWNY-QGZVFWFLSA-N 463.604 2.094 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCC(Cn2cncn2)CC1 1705937485 VHLQVGUWBNKGMB-UHFFFAOYSA-N 461.617 2.039 30 10 JEEE CC(C)CCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCS(=O)(=O)C(C)(C)C 1706462735 HNADLSOJIVRRCF-QGZVFWFLSA-N 473.665 2.160 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1CCc1cccc(OCC)c1)[C@H]1CCS(=O)(=O)C1 1722360006 BYOIMYFTWFZQBR-IBGZPJMESA-N 466.567 2.003 30 10 JEEE C#CCN(c1nnc(CSc2ccc(C)cc2)n1CC(=O)NCCC)[C@H]1CCS(=O)(=O)C1 1722370548 OPVVXMZGXPVVCD-SFHVURJKSA-N 475.640 2.032 30 10 JEEE C#CCN(CC#CC)c1nnc(Cc2csc(C)n2)n1C[C@]1(N2CCOCC2)CCSC1 1722400117 ZZULJZILAVMWBH-HSZRJFAPSA-N 470.668 2.305 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2cn(CCCC)nc2C)CC1 1722433165 NNEWRTGPDBDGKA-VWLOTQADSA-N 469.634 2.427 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCCN1S(C)(=O)=O 1722512336 FNZMWSBQTBNJHX-QGZVFWFLSA-N 485.614 2.018 30 10 JEEE C=CCCOCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H]1CCOC1 1722629836 OPYJMTJYTRVQNO-QZTJIDSGSA-N 451.568 2.404 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1722706479 UAMSNWPRNXAXKY-UNMCSNQZSA-N 468.602 2.015 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]1c1ccc(C)o1 1722726705 ATFUWJJJENYLCH-IRXDYDNUSA-N 468.601 2.024 30 10 JEEE C=CCSCCn1c(-c2noc3c2COCC3)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1722737944 WZDUTTGFKCYTBQ-KBPBESRZSA-N 455.606 2.183 30 10 JEEE CC[C@H](C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@H]1CCCS(=O)(=O)C1 1727002588 GDLXBEHFHIUAJX-PKOBYXMFSA-N 457.604 2.210 30 10 JEEE CCn1cc([C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CC(C)(C)C(=O)NC)CCO2)cn1 1728529611 FTCKDLUXABDNPF-HXUWFJFHSA-N 462.558 2.383 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1CCN(C(C)=O)CC1 1740539015 QXUBDPFNOFTRPI-MRXNPFEDSA-N 471.631 2.263 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cn3nc(C)cc3C)n2Cc2snnc2C)c1 1740565015 GOEZTTRBUSPSLO-UHFFFAOYSA-N 475.582 2.404 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CC1(CCOC)CCCC1)[C@@H]1CCS(=O)(=O)C1 1740626136 SRAXKBXRIYIASJ-OAQYLSRUSA-N 471.627 2.488 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@](C)(OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1740626977 DINKGDOJNSPPIE-YKSBVNFPSA-N 483.594 2.171 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC1(NC(=O)OC(C)(C)C)COC1 1740637145 ROKFHLLSZFAAFT-UHFFFAOYSA-N 487.564 2.497 30 10 JEEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1CCCN1CCN(c2ccncc2)CC1 1740658023 FLDCFJQCPIMTRK-UHFFFAOYSA-N 485.640 2.210 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1740753926 AUTOBQGOIBYROB-NQIIRXRSSA-N 474.009 2.185 30 10 JEEE C=C(C)Cn1c(-c2ccccc2Br)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1740780130 WCSPXAKZZUPZAK-UHFFFAOYSA-N 489.418 2.265 30 10 JEEE C=CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)OC[C@@]2(C)C1)c1ccccc1 1740854723 ROZKBFVVWVTDBR-LYHRCORUSA-N 488.614 2.279 30 10 JEEE C=CCCOCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1740884891 QCXNJHUKMFENQQ-QZTJIDSGSA-N 468.558 2.025 30 10 JEEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)Cc1ccc(C#N)cc1 1740959445 VVGYNUSDXRPIER-UHFFFAOYSA-N 478.582 2.048 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1740985113 BJPLQDYLWMIPFZ-HXUWFJFHSA-N 466.696 2.387 30 10 JEEE Cc1ncsc1CN(C)c1nnc(-c2cccc(C#N)c2)n1CCN1CCCS1(=O)=O 1742061713 CRSRSQPUGVHMPL-UHFFFAOYSA-N 457.585 2.254 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2C[C@@H]2CCC3(C2)OCCO3)c1 1748694712 LXQXGQMJHNMFOE-LJQANCHMSA-N 453.543 2.414 30 10 JEEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(F)(F)CNC(=O)OC(C)(C)C 1748779565 OYIPWDUZEWGBFI-UHFFFAOYSA-N 473.488 2.150 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCCc2cnn(C)c2)CC1 1749003445 KFPQLIBNXNNHRO-UHFFFAOYSA-N 491.596 2.294 30 10 JEEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1749024477 RRERZSWHQBHEBK-IUKKYPGJSA-N 490.651 2.488 30 10 JEEE C=C(C)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1749198559 LDXAMFNKHXTNKB-UHFFFAOYSA-N 450.591 2.083 30 10 JEEE C=CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1749414980 LCONMVKYTDMYLF-FQEVSTJZSA-N 490.586 2.450 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1C[C@H]2CCCN2C[C@H]1C 1749661082 XQLNKSFORUEJLG-IEBWSBKVSA-N 454.575 2.328 30 10 JEEE C[C@H](CC#N)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN(C)CC(F)(F)F 1751092891 FOUIHMQHNRIFNZ-CQSZACIVSA-N 472.541 2.471 30 10 JEEE C#CCN(c1nnc([C@H](C)OCCOC)n1Cc1ccc(F)c(C)c1)[C@@H]1CCS(=O)(=O)C1 1760181221 RCMYDDROOKKEMO-PKOBYXMFSA-N 464.563 2.125 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1Cc1ccc(NC(=O)N(C)C)cc1)[C@H]1CCS(=O)(=O)C1 1760185984 IEKCIXIKLPGCBJ-FQEVSTJZSA-N 472.615 2.245 30 10 JEEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(N2CCSCC2)CCCCC1 1760225729 XEOVPXQORWEFKG-SFHVURJKSA-N 468.693 2.100 30 10 JEEE C#CCN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccccc1CN1CC[C@H](O)C1 1760227591 IOCGMUNTDDUWRD-OZXSUGGESA-N 467.614 2.393 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCc2ccccn2)CC1 1760252674 UFDUPZSIGDOQPZ-UHFFFAOYSA-N 463.973 2.254 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cc(F)ccc2SC)CC1 1760269073 XFFWBUDXEVAYSL-GOSISDBHSA-N 470.574 2.104 30 10 JEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)Cc1ccc2c(c1)OCO2 1760440524 LTHXBGNVEPOQNF-HXUWFJFHSA-N 477.587 2.332 30 10 JEEE C=CCN(Cc1cccs1)c1nnc(-c2cnccn2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1760486732 XSZALALVYZOBSW-MRXNPFEDSA-N 459.601 2.271 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN([C@H](C)c2nc(C3CC3)no2)CC1 1760548248 BOCIHEQGCAHPIE-MRXNPFEDSA-N 463.608 2.146 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H]1c1ccc(OC)c(OC)c1 1760556217 XAYHWFFVZKAGPH-QZTJIDSGSA-N 489.598 2.189 30 10 JEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 1760565865 GNRJLOAJUCEKMR-SFHVURJKSA-N 493.630 2.087 30 10 JEEE CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOC(C)C)CC1 1762054246 DYHNJHFPNJUTEY-IBGZPJMESA-N 453.591 2.278 30 10 JEEE C=CCOc1ccccc1[C@@H]1C(C(=O)N2CCN(CC)CC2)=C(N)Oc2c1c(CC)nn2C 1865225864 QPVIVOQXCDZXRI-FQEVSTJZSA-N 451.571 2.406 30 10 JEEE C=CCn1cc(OCC(=O)N2CCOCC2)c(=O)cc1CNc1cc(NC(C)=O)ccc1C 1871034030 AHMVCGUCUDIXLG-UHFFFAOYSA-N 454.527 2.151 30 10 JEEE C=CCn1c(C(=O)NC[C@H](C)O)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873593082 DSRNAMZAZWDSBB-KRWDZBQOSA-N 450.543 2.063 30 10 JEEE CC(C)N1C[C@H](c2nnc(SCC(=O)Nc3nccs3)n2/N=C/c2ccc[nH]2)CC1=O 1874338755 XIAFDZJHBUGZNQ-IAAMAZNWSA-N 458.573 2.400 30 10 JEEE CN1CCN(CC#CCOC2CCN(C(=O)COc3ccc(Br)cc3)CC2)CC1 1889463588 NIASSAGCNGHDHX-UHFFFAOYSA-N 464.404 2.086 30 10 JEEE CCN1CCN(CC#CCOC2CCN(S(=O)(=O)c3ccc(-c4coc(C)n4)cc3)CC2)CC1 1889907609 ZJMXJAIHQAPJQW-UHFFFAOYSA-N 486.638 2.461 30 10 JEEE COc1ccc2nc(N3CC(C(=O)N4CCC[C@@H](Oc5nccnc5C#N)C4)C3)sc2c1 1891599988 KLJQRVWXHFHQBR-MRXNPFEDSA-N 450.524 2.473 30 10 JEEE C=C(CS(=O)(=O)N=[S@@](C)(=O)CCN(C)C(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2247985887 NWPIYLBJQSMAHK-LJAQVGFWSA-N 466.431 2.469 30 10 JEEE COc1ccc(S(=O)(=O)NCCNC(=O)OCc2ccccc2)cc1B1OC(C)(C)C(C)(C)O1 2255801141 YWTIRKJFJARXKC-UHFFFAOYSA-N 490.387 2.199 30 10 JEEE CN(C[C@@H](O)CN(C)C(=O)c1ccsc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2255802851 GBIBDDYXCHPMDN-AWEZNQCLSA-N 454.398 2.347 30 10 JEEE C=C(CS(=O)(=O)NC[C@H]1C[C@H](OC)CN1C(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2255955968 WPLDTFFJBOSTNX-CVEARBPZSA-N 460.402 2.118 30 10 JEEE C[C@@H]1CCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C[C@H]1NC(=O)C(F)(F)F 2267372618 QUCJGXJOOOLXOK-VXGBXAGGSA-N 482.355 2.125 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@]1(CO)C(=O)NCc1sccc1B1OC(C)(C)C(C)(C)O1 2268639995 SXPOGFZVHLWVIW-QFIPXVFZSA-N 466.409 2.426 30 10 JEEE Cn1nc(C(=O)NCc2ccc(NC(=O)C(F)(F)F)cc2)cc1B1OC(C)(C)C(C)(C)O1 2281969902 BBUDNKOTFFNCAM-UHFFFAOYSA-N 452.242 2.150 30 10 JEEE Cc1nn(C)c(C(=O)N[C@@H]2C[C@H](NC(=O)OC(C)(C)C)C2(C)C)c1B1OC(C)(C)C(C)(C)O1 2281977958 WJFDIJMTLUWNAA-CABCVRRESA-N 462.400 2.449 30 10 JEEE Cc1nn(C)c(C(=O)N(C)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2281993184 XRMQDTDESQQFPS-MRXNPFEDSA-N 462.400 2.499 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)n1 2281995223 ZQKYEPDFEPXBSA-CVEARBPZSA-N 462.400 2.435 30 10 JEEE CC(C)(C)OC(=O)N1[C@H](CNC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C[C@@H]2COC[C@@H]21 2281999543 FRHQWGXLPFNBDR-YCPHGPKFSA-N 479.408 2.197 30 10 JEEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1CCC(C)(NC(=O)OC(C)(C)C)CC1 2282183122 BZWBYLYOOSMUOV-UHFFFAOYSA-N 463.388 2.070 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](NS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1(C)C 2282350120 IYHCKKPAUDZSQU-DLBZAZTESA-N 481.424 2.351 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCCCC(C)(C)NC(=O)OC(C)(C)C 2282351315 YYBUSUNTNJRUCE-UHFFFAOYSA-N 486.444 2.081 30 10 JEEE CC(C)(C)OC(=O)N1CC(O)(CCNC(=O)c2ccc(F)c(B3OC(C)(C)C(C)(C)O3)c2)C1 2282476330 AITKANMBUKVXBF-UHFFFAOYSA-N 464.343 2.227 30 10 JEEE CC1(C)OB(c2cccc(F)c2C(=O)NC[C@@H]2CNCCN2Cc2ccccc2)OC1(C)C 2282478627 GWDWKPACZIMWQX-IBGZPJMESA-N 453.367 2.329 30 10 JEEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1CCNC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2282549103 FNIFECVGVLTDDG-CVEARBPZSA-N 462.400 2.342 30 10 JEEE Cn1cc(C(=O)NC[C@@H]2CCN(C(=O)OC(C)(C)C)C23CC3)nc1B1OC(C)(C)C(C)(C)O1 2282549768 PJIQANRNBCTYCO-HNNXBMFYSA-N 460.384 2.239 30 10 JEEE Cc1nn(C)c(C(=O)N2CC3(CCN(C(=O)OC(C)(C)C)C3)C2)c1B1OC(C)(C)C(C)(C)O1 2282557838 APHUSKQGHBUUJY-UHFFFAOYSA-N 460.384 2.111 30 10 JEEE CCc1nn(C)c(C(=O)NC[C@H](NC(=O)OC(C)(C)C)C2CC2)c1B1OC(C)(C)C(C)(C)O1 2282558224 HBWTXGCKACWECJ-INIZCTEOSA-N 462.400 2.315 30 10 JEEE CC(C)(C)OC(=O)N1[C@H](C(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)C[C@@H]2OCC[C@H]21 2283953495 TZUJYFFCQATQJR-IKGGRYGDSA-N 459.352 2.486 30 10 JEEE CN(Cc1ccccc1)C[C@@H](NC(=O)c1cccc(F)c1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284423159 NBXCGIANUOMQQC-LJQANCHMSA-N 456.323 2.440 30 10 JEEE CC1(C)OB(c2cnc(C(=O)N[C@H](COCc3ccccc3)CC(=O)O)c(F)c2)OC1(C)C 2284457991 OOYPGCLLYRXRFX-KRWDZBQOSA-N 458.295 2.310 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CCC[C@H](NC(=O)C(F)(F)F)CC1 2286120935 ORZUOSXCHUOCLP-HNNXBMFYSA-N 457.302 2.480 30 10 JEEE C=CCN1C(=O)[C@@]2(C(=C(O)c3ccc(C)o3)C(=O)C(=O)N2CCCN2CCOCC2)c2ccccc21 2296147229 NPEDVTZSUWKHFI-MHZLTWQESA-N 491.544 2.419 30 10 JEEE Cc1c(C=C2SC(=S)N(Cc3ccco3)C2=O)c(N2CCOCC2)n(C)c(=O)c1C#N 2297464083 LBXZNRYFMRFXBA-UHFFFAOYSA-N 456.549 2.396 30 10 JEEE CN1CCN(c2ccc(-n3nnc(C#N)c3NC(=O)C=Cc3ccc4c(c3)OCCO4)cc2)CC1 2332188371 INQUFBYALJEDHO-UHFFFAOYSA-N 471.521 2.314 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(=NC[C@]2(F)COCCN(C(=O)OC(C)(C)C)C2)[nH]1 2362160834 YIVRTBRDVKCKHM-HSZRJFAPSA-N 465.375 2.499 30 10 JEEE COc1ccc(Br)cc1CN(C)C(=O)CNS(=O)(=O)c1ccccc1C#N 9514283 AYRUYLMKZPGAJT-UHFFFAOYSA-N 452.330 2.266 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(S(=O)(=O)c4ccc5c(c4)CCC5)CC3)cc2C1=O 18104103 HYQOABVTXUXEJH-UHFFFAOYSA-N 479.558 2.104 30 10 JEEE CCCCN/C(O)=N/S(=O)(=O)c1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 28498458 QWWWDKLRZRDAPT-UHFFFAOYSA-N 456.502 2.388 30 10 JEEE COc1ccccc1C(=O)/C(C#N)=c1\s/c(=C/c2cnn(C)c2)c(=O)n1-c1cccc(C)c1 96940711 QRAGHSDESWTZJW-BCLSGAJHSA-N 456.527 2.336 30 10 JEEE O=c1n(-c2ccccc2)c(=O)n2n1[C@H]1C=C[C@H]2[C@@H]2C/C(=N/Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H]12 230121930 UVZZHCYJZWPTAK-QSCLIGBRSA-N 475.421 2.387 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)[C@H](C)[S@@](=O)[C@@H](CC)C(=O)OCCOCC)cc21 586354816 FSNVWZILQCJCEB-ICHRWLNQSA-N 451.541 2.276 30 10 JEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2Cl)c(=O)n1Cc1ccccc1 619539249 GWHAEDNOJZABEV-UHFFFAOYSA-N 465.962 2.425 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1NS(=O)(=O)CCN1C(=O)c2ccccc2C1=O 704370977 BQQSWRJIERWPNN-UHFFFAOYSA-N 486.355 2.032 30 10 JEEE COc1cccc(-n2c(=C(C#N)C(=O)NC3CCCC3)sc(=Cc3cnn4ccccc34)c2=O)c1 729670230 MZWCKCXYIGZKLB-UHFFFAOYSA-N 485.569 2.117 30 10 JEEE C=CCc1cccc(C=NNc2nnc(SCC(=O)Nc3ccc4c(c3)OCCO4)n2N)c1O 1084127025 XEFGGRPPFRETTR-UHFFFAOYSA-N 481.538 2.374 30 10 JEEE CCN(CC)C(=O)[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2C=Nn2c(N)cc(=N)nc2S)C1 1084217009 JKNBNARDQSUGTQ-AWEZNQCLSA-N 472.575 2.109 30 10 JEEE CC(=O)c1cccc(S(=O)(=O)NCC(=O)N[C@H](C#N)c2ccc(Br)cc2)c1 1141444890 BVJOBUPEKPWHPA-QGZVFWFLSA-N 450.314 2.311 30 10 JEEE C#C[C@@H](NC(=O)c1ccc(S(=O)(=O)NC[C@@H](C)O)cc1)c1ccc(Br)cc1 1159634700 QTFRIPRXBGTVMN-FZKQIMNGSA-N 451.342 2.213 30 10 JEEE N#Cc1ccc(N2CCN(C(=O)CNS(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)cc1 1168707089 FQXDMSZCWRRFEH-UHFFFAOYSA-N 453.351 2.492 30 10 JEEE C#CCn1cnc(-c2ccccc2)c1NC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 1264834369 ALSSFHBRCVRDSM-UHFFFAOYSA-N 453.480 2.351 30 10 JEEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1286316370 IBNVOBPVSQQARI-DEOSSOPVSA-N 471.627 2.453 30 10 JEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2cc(F)cc(F)c2C1 1286323590 KTEWNHUPDKRYSZ-FQEVSTJZSA-N 479.553 2.255 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H](OC)[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1286388926 WYTYLGZECUGOEG-JUXOCIIHSA-N 488.610 2.404 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CCCC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1286390461 AZLMGYAOXVGRJX-OAQYLSRUSA-N 457.600 2.097 30 10 JEEE C#CCN(c1nnc(CC)n1C[C@@H](C1CC1)N(C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1286395634 RZLYDYPRWURBAA-VXKWHMMOSA-N 455.628 2.378 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCn2cncn2)CC1 1286487470 FRHWLQLSZGYBHQ-HXUWFJFHSA-N 476.585 2.292 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)CCNC(=O)C(C)C 1286552390 QHQRECQGDUCLAE-PZJWPPBQSA-N 479.589 2.110 30 10 JEEE C=C(C)COCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC(NC(C)=O)CC1 1286604968 QTTFAJHVHAVKCZ-UHFFFAOYSA-N 489.646 2.244 30 10 JEEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 1286711847 UOGJEVSYPUMHBY-SFHVURJKSA-N 454.531 2.342 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccccc2C)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1)C(C)C 1286750518 BUCFYCLNFYASIP-GGAORHGYSA-N 491.640 2.099 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1286781764 ZUXDBUSXALSFFH-UHFFFAOYSA-N 493.612 2.431 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1286782877 BYDFFAVDMOHFTC-BVZFJXPGSA-N 485.585 2.429 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1286821238 FEMWTDYUDLQKNC-HXUWFJFHSA-N 477.606 2.350 30 10 JEEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 1286828615 OYTYGALTMCVYEF-UHFFFAOYSA-N 464.599 2.415 30 10 JEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 1300364687 LUHAHFCTYBHFHP-MSOLQXFVSA-N 465.620 2.429 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CCN(C(C)C)C(C)C)[C@H]1CCS(=O)(=O)C1 1300498443 KHHUGYTYGPUZRW-NRFANRHFSA-N 458.632 2.009 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCc2cc(OC)ccc21 1300509762 UNMGOVPFEKGKPS-IEBWSBKVSA-N 455.584 2.090 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccccc2OC)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1300526412 FDNLZKYCCKLGEE-PMACEKPBSA-N 461.545 2.373 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@@H](C)CN2CCOCC2)CC1 1300718553 SNFJMDGQJRITMV-NRFANRHFSA-N 478.641 2.442 30 10 JEEE C#CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1300734183 SUCWNSOOJWHSQU-APWZRJJASA-N 478.018 2.468 30 10 JEEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCSC(CC)(CC)C1 1300764258 VBPUBJDLZIVPKB-KRWDZBQOSA-N 487.717 2.089 30 10 JEEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](NC(=O)CC)C1 1300770794 ZGTSXXIBPQJBFY-INIZCTEOSA-N 460.629 2.131 30 10 JEEE C=C(Br)Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)[C@H](C)CS(C)(=O)=O 1300843391 AUVGPIJYANXMAJ-GFCCVEGCSA-N 481.376 2.372 30 10 JEEE C=C(C)Cn1c([C@H](C)OCCOC)nnc1N1CCN(CC(=O)N2CCc3ccccc32)CC1 1300928423 DOWMUGMPVXHGFN-FQEVSTJZSA-N 468.602 2.290 30 10 JEEE C=C(C)COCCn1c(-c2ccccn2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1300982164 CAHRQJBBSWWAFT-UHFFFAOYSA-N 467.618 2.457 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC)c(Cl)c1)C1CC1 1301326970 JWZINKPDQNPCQC-IBGZPJMESA-N 482.006 2.476 30 10 JEEE C=CCN(CC=C)c1nnc(-c2ccc(Br)s2)n1C[C@@]1(O)CCS(=O)(=O)C1 1301375707 RNVLRGCUTDFKSK-KRWDZBQOSA-N 473.418 2.497 30 10 JEEE C=CCN(CCOC)c1nnc(-c2ccc(Br)cc2)n1CC1(O)CCS(=O)(=O)CC1 1301414624 GVGRDGZMVLWNKW-UHFFFAOYSA-N 499.431 2.286 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccn(C)n1 1301424304 IRVPHLAJFAPPFS-SFHVURJKSA-N 461.567 2.007 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1301514230 HDDRJZAIDXMXEL-QGZVFWFLSA-N 486.573 2.271 30 10 JEEE C=CCNC(=O)Cn1c(N2CCN(CCC(C)(C)C)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1301520996 WNTOFBURARUBQP-XMMPIXPASA-N 462.639 2.179 30 10 JEEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCCN(CC)C(=O)C1 1358906345 FJYWIAJTRZRVGB-UHFFFAOYSA-N 472.615 2.058 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1csc(CC)n1)[C@@H]1CCS(=O)(=O)C1 1358956497 GRCCFYJHPYCSEH-GCJKJVERSA-N 493.655 2.013 30 10 JEEE C#CCN(c1nnc([C@H](C)OCCOC)n1Cc1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 1358956770 KMTDSPFCDYBNIS-QFBILLFUSA-N 466.991 2.331 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCn1cc([C@@H]2CCOC2)cn1 1359003584 QAJXYIDCXUJMKN-LJQANCHMSA-N 468.583 2.209 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2c(C)cc(C)cc2C)CC1 1359039946 BVAJUHVTCQFCEC-UHFFFAOYSA-N 462.598 2.453 30 10 JEEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(c2ncccn2)CC1 1359052972 WSIQVKQCQRBVPF-UHFFFAOYSA-N 465.583 2.445 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Br)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1359064857 BMSYUZVDGAIJRJ-UXHICEINSA-N 479.400 2.249 30 10 JEEE C=C(Br)Cn1c(Cc2cccnc2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1359085253 HLLDQOWCQBZFQG-UHFFFAOYSA-N 488.434 2.307 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](C(N)=O)C1 1359103858 UOTPUKWZPZOGRT-XQBPLPMBSA-N 450.543 2.412 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C2CCCCC2)N(C)C)CC1 1359165492 QFEMIQQQWGAYPO-SFTDATJTSA-N 480.679 2.278 30 10 JEEE C=CCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1359223494 MNACXBUXVMILBG-JPYJTQIMSA-N 476.599 2.326 30 10 JEEE C=CCCOCCn1c(-c2ccc3ccccc3n2)nnc1N1CCN(C(=O)COC)CC1 1359224252 LESRTINZHYEIOA-UHFFFAOYSA-N 450.543 2.381 30 10 JEEE C=CCNC(=O)Cn1c(Nc2cnn([C@@H]3CC3(F)F)c2)nnc1[C@@]1(OC(C)C)CCOC1 1359305817 NSIARRIYIFNSEX-DNVCBOLYSA-N 451.478 2.141 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CC(F)(F)CO2)C1 1359324588 NQDZVTDDSGUUPL-HUUCEWRRSA-N 453.515 2.475 30 10 JEEE N#Cc1ccc(N2C[C@@H](C(=O)N3CCN([C@H](CO)c4ccc(Cl)cc4)CC3)CC2=O)cc1 1466534831 ASZSLOYOIQSDHJ-SIKLNZKXSA-N 452.942 2.442 30 10 JEEE C#CCN(CC(=O)NC(=O)Nc1ccc2c(c1)OCO2)C1CCN(C(=O)OC(C)(C)C)CC1 1473796038 AGWBPPMWGUPBJT-UHFFFAOYSA-N 458.515 2.398 30 10 JEEE C#CCN(c1nnc(COCC)n1CCC(=O)Nc1cccc(Cl)c1C)[C@@H]1CCS(=O)(=O)C1 1507637523 KZGYQXODZVJNNP-QGZVFWFLSA-N 494.017 2.432 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@]1(O)CCO[C@H]1C 1507676874 RHUOAWLJGBJBSJ-YBJWPOLQSA-N 457.575 2.052 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@H]2CCN(CC)C2)CC1 1507740315 LFYBFCIROPKBFK-IBGZPJMESA-N 468.577 2.304 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCCc3ccccc3)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1507740663 OSZVHLGXASHGNB-QFIPXVFZSA-N 497.665 2.244 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1507796401 AEYUQEAPTITSQO-NSHGMRRFSA-N 460.604 2.100 30 10 JEEE C=C(C)COCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(C(=O)NCC)CC1 1507842448 ANZMRNPEZQWVRN-UHFFFAOYSA-N 494.600 2.119 30 10 JEEE C=C(Cl)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)COc2ccc(F)cc2)CC1 1507850354 IBMFAAIWPSKRJE-UHFFFAOYSA-N 476.940 2.133 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCN2C[C@@H](C)C[C@@H](C)C2)CC1 1507901978 HAQOXMXTQNNFTM-VWPQPMDRSA-N 494.706 2.381 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1507914557 KNDDCZZUUCDFFF-GOSISDBHSA-N 452.559 2.500 30 10 JEEE C=CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1507956519 ATWQFNCVSHDFPM-BJLQDIEVSA-N 457.579 2.366 30 10 JEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(F)c(OC)c2)CC1 1507968525 UWFVNTVTBPZCEW-GOSISDBHSA-N 493.605 2.247 30 10 JEEE COc1ccncc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1518543083 DBEZNRKHSWEGET-UHFFFAOYSA-N 481.582 2.129 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@]1(O)CCO[C@H]1C 1539003089 LEOCCWQYVIXVOC-WOGXIUBCSA-N 450.543 2.234 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1-n1nc(C)cc1C 1539014628 MQFUENBXTAUVQL-FXAWDEMLSA-N 452.584 2.489 30 10 JEEE C#CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@H](C)CS(=O)(=O)CC 1539067584 IAJASTJPPYTVPV-QGZVFWFLSA-N 470.599 2.255 30 10 JEEE C#CCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1539109917 ZJQSWQLBWDVIGN-IBGZPJMESA-N 466.586 2.166 30 10 JEEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 1539177660 AOGIBRKGLDYQPB-SJORKVTESA-N 463.604 2.039 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ccc(C)cc1SC)[C@H]1CCS(=O)(=O)C1 1539216779 XBIHFDHGPUIVPE-SFHVURJKSA-N 468.608 2.440 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2Cl)n1CC(=O)N1CCOCC1 1539403052 NCIXPEPZRQFELM-UHFFFAOYSA-N 452.342 2.197 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2ccc(F)c(F)c2)CC1 1539468997 LSJMZMSIIJOJMV-MRXNPFEDSA-N 461.513 2.294 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Br)n2CCCn2ccnn2)CC1 1539474345 PFPCKTGGHJTJCN-UHFFFAOYSA-N 497.401 2.355 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 1539490360 BCEFCGLJFWJSMG-NRFANRHFSA-N 491.621 2.147 30 10 JEEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@H](C)[C@H](OC)C1 1539510147 FLVNFOPMBQEGEG-QFBILLFUSA-N 452.584 2.420 30 10 JEEE C#CCSCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CC(=O)N(C)C[C@H]1C 1539510676 MHSSZFHHWFQLTR-QGZVFWFLSA-N 479.610 2.098 30 10 JEEE C=C(Br)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](C#N)C1 1539600643 SWCQOFKTLJVLRM-GJZGRUSLSA-N 483.367 2.224 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1539630142 YYQIDNQEYOVMFD-IEBWSBKVSA-N 454.579 2.346 30 10 JEEE C=CCCOCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1540019996 PJMSPQJSAFGUHO-MJGOQNOKSA-N 472.977 2.169 30 10 JEEE Cc1nsc(N2CCN(C(=O)NC[C@H](c3cccc(F)c3)N3CCOCC3)CC2)c1C#N 1563825707 GZGXHOLIKCFGSX-HXUWFJFHSA-N 458.563 2.367 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cccc(C(N)=O)c1 1587638308 CUPRRAZOCONCLS-QFBILLFUSA-N 468.558 2.192 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(Cc2ccccc2OC)n1CCCN1CCC[C@H]1C(=O)N(C)C 1587650398 BMLGEXKWUSCDOO-CTNGQTDRSA-N 452.603 2.278 30 10 JEEE C#CCN(c1nnc(CCOc2ccccc2)n1CCOC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1588069641 RPSVZZXEHNENPN-IBGZPJMESA-N 460.600 2.341 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@](C)(O)CCOC 1588133231 BDUXDNKFSXNAES-CYFREDJKSA-N 459.591 2.253 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCNS(=O)(=O)CC 1588378436 JQSVJJVGLIUTCO-SFHVURJKSA-N 482.651 2.182 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCC(=O)N3)n2Cc2ccccc2Cl)n1 1588722732 DNYOFVVKDTVZPK-HXUWFJFHSA-N 467.961 2.414 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(Br)c3)n2CCNC(=O)C(C)C)CC1 1588762591 LYFQHSMEKDWHND-UHFFFAOYSA-N 459.392 2.235 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2CC[C@H](C(F)F)N2CCOCC2)CC1 1588780550 SFJNPWZLTTZDRZ-OAQYLSRUSA-N 474.556 2.065 30 10 JEEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1589036854 PDEJPQIVYFDCQM-QAPCUYQASA-N 457.556 2.263 30 10 JEEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1589053313 NAWXBFQYIPEWTC-MOPGFXCFSA-N 456.616 2.382 30 10 JEEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cc2ccccc2o1 1589069547 LKYQRMMTMHFRNL-FQEVSTJZSA-N 489.623 2.360 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccn2C)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1589513923 CPXPVDLTFNCFIE-PXNSSMCTSA-N 462.620 2.125 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1589731515 ODMQEYNNZRSPDW-UHFFFAOYSA-N 480.598 2.165 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CN2CCOCC2)CC1 1594498839 XZQHIIMLRATBAQ-HXUWFJFHSA-N 465.664 2.331 30 10 JEEE C=CCn1c(-c2nnc(O)c3ccccc23)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1595387132 SJYPHINAIXDNCM-HZPDHXFCSA-N 451.531 2.147 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1595476161 IMWYELUSVUROSJ-MDZRGWNJSA-N 472.977 2.336 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C(=O)c2ccsc2)CC1 1595496892 JYNCQNVDMIPZNW-UHFFFAOYSA-N 496.593 2.288 30 10 JEEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1595594124 KKCDFQOEIAIPEE-KRWDZBQOSA-N 450.584 2.200 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(N3CCSCC3)CCCC2)C1 1595672696 BSCVMIQDLVQDJA-RTBURBONSA-N 498.719 2.031 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(COc2ccccc2)CC1 1595788551 CJUFZRDGZQKDTP-FQEVSTJZSA-N 473.599 2.125 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 1595804705 FNGKDKQLIXJXTQ-UHFFFAOYSA-N 463.579 2.179 30 10 JEEE CC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCCO[C@@H](C)C2)C1 1596421121 GWVIMIBUHGOIRQ-CVDCTZTESA-N 465.602 2.423 30 10 JEEE COc1ccccc1C1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)CC1 1619379267 BVKGVSHXCDMECR-QVKFZJNVSA-N 462.551 2.071 30 10 JEEE N#CCCN(CC1CC1)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCCCS1(=O)=O 1620358205 GFQFNZFSMDPDTP-KRWDZBQOSA-N 457.560 2.023 30 10 JEEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)NCC(C)(CO)CO)c1 1636546304 OFTICHHHPWNQLP-UHFFFAOYSA-N 452.960 2.442 30 10 JEEE C#CCNC(=O)CN1CCN(C(=O)C[C@@]2(CC)OCCc3c2[nH]c2c(CC)cccc32)CC1 1640201389 DUDSICZZOZGDJD-AREMUKBSSA-N 450.583 2.192 30 10 JEEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCc1ccc(COC2CCOCC2)cc1 1679320046 DSTQKRMQHOVSOT-GOSISDBHSA-N 450.543 2.464 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1CCOC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1689984373 OJHXEDKLGFVARX-KRWDZBQOSA-N 476.599 2.404 30 10 JEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H](C)COC)[C@H]1CCS(=O)(=O)C1 1689992821 PGPRXTSJOMXZPF-APWZRJJASA-N 450.992 2.432 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCN2CCOC[C@H]2C)CC1 1690111738 ITJBMLDKKCONPB-UXHICEINSA-N 456.566 2.033 30 10 JEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@](C)(O)c2cc(C)oc2C)CC1 1690132187 KEDCAGSGYIGHJW-XMMPIXPASA-N 451.575 2.012 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2OC)n1CCN/C(O)=C1/N=CC=CC1=O 1690207507 AOIXOZYUXLGGOW-KVILIRJJSA-N 460.538 2.396 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC(C(=O)NCc2ccc(C)cc2)CC1 1690673510 WWOFPSCFMRHTTI-UHFFFAOYSA-N 487.608 2.407 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](COC(C)C)C1 1690683169 CVHZQZLWSWBQOS-NHCUHLMSSA-N 490.626 2.424 30 10 JEEE C=CCOc1ccccc1Cn1c(Cc2ccncc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1690683702 SAFCFIOEUVNHLJ-UHFFFAOYSA-N 482.610 2.395 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](c2nc(C)no2)C1 1690723001 DRLPTFZIPJXDIC-KRWDZBQOSA-N 457.560 2.325 30 10 JEEE CCn1nc(-c2nnc(N(C)C[C@@H](C)C#N)n2C[C@@](C)(O)CCOC)c2ccccc2c1=O 1695898627 BAGXFYJMEBYVOC-HJPURHCSSA-N 453.547 2.058 30 10 JEEE COc1cccc(-c2nnc(N3CCN(c4c(C#N)c(C)nn4C)CC3)n2C[C@@H](C)OC)c1 1697521675 DCYGNVFGCOMWSZ-MRXNPFEDSA-N 450.547 2.229 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@]1(C)CN(C2CC2)C1=O 1705476026 YATDVMHJQIEPRR-CMJOXMDJSA-N 454.962 2.330 30 10 JEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1cccc(C(=O)NC)c1 1705547404 RYNMNLPTKUCZKN-UHFFFAOYSA-N 465.583 2.024 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1C[C@H](c1ccc(C)cc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1705571477 ZVPHBDBARDMEOQ-FCHUYYIVSA-N 455.628 2.469 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H](c1cccs1)N(C)C 1705576669 OPKWRGFQGASLKN-FQEVSTJZSA-N 457.567 2.358 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H](OC)c2ccc(F)cc2)CC1 1705632245 KLHALBRGOSTOAL-NRFANRHFSA-N 456.566 2.479 30 10 JEEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2CC2CCN(CCN(C)C)CC2)CC1 1705641432 FMTLBBPLDLMZPT-UHFFFAOYSA-N 463.674 2.092 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CC(C)(C)C(=O)NC)C1 1705921963 COOFBOAMVTXMOI-KRWDZBQOSA-N 479.585 2.228 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1Cc1ccccc1OCC1CC1 1706863907 CYARSGFBPAJUNZ-MRXNPFEDSA-N 458.588 2.465 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2c(CC)noc2C)c1 1722308579 CMAFWYVHEYVMSS-GOSISDBHSA-N 496.593 2.144 30 10 JEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC=C(C(F)(F)F)CC1 1722316292 GRCAEABXYDHEDT-INIZCTEOSA-N 461.510 2.113 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC[C@@H](C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1722360765 JMFXPOPBUAIVTN-NQIIRXRSSA-N 452.584 2.499 30 10 JEEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1Cc1ccn(C)n1)[C@H]1CCS(=O)(=O)C1 1722363834 HEOBONHGKDWLQU-LEWJYISDSA-N 452.584 2.229 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC(F)(F)Br)CC1 1722430353 BEIFOSLOPOFMPD-QGZVFWFLSA-N 462.339 2.062 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(N(C)C)c(F)c2)CC1 1722441091 OTOOXDSOYNKRDP-UHFFFAOYSA-N 481.601 2.278 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)ccc3C)n2CC2(C)COC2)CC1 1722449882 SLDJUQLHSXZWBN-UHFFFAOYSA-N 451.571 2.476 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccccc2OC)nnc1N1CCS(=O)(=O)CC1 1722500760 MVNGRTQQBZYZDL-UWJYYQICSA-N 462.572 2.082 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1722688572 GHTHNKOUMQKARV-QVKFZJNVSA-N 493.406 2.123 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(N3CCCCC3)nc2)C1 1722711075 SBRWEMKYIQVICP-AZUAARDMSA-N 489.646 2.103 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCN2CCCO[C@@H](C)C2)C1 1722719923 CHLMWUDDEJOLAJ-FCHUYYIVSA-N 457.623 2.422 30 10 JEEE C=CCSCCn1c([C@H]2CCCO2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1722744898 XJVAVUYRLLHTQS-LJQANCHMSA-N 459.620 2.429 30 10 JEEE CC(C)CO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)C1 1723489113 CNJOFZDCCHIVLT-FQEVSTJZSA-N 458.588 2.104 30 10 JEEE CCCNC(=O)CCn1c(Cc2cccnc2)nnc1N1CCN(c2ccccc2C#N)CC1 1728192083 IAORKSCYDDUNQC-UHFFFAOYSA-N 458.570 2.378 30 10 JEEE N#C[C@@]1(F)CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2CCCN2CCCO)C1 1731179209 BBTJRDZHSBREFN-KXBFYZLASA-N 466.359 2.324 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](Cc2ccc(F)cc2)C1 1740592502 YSIPHMXOXOOVBI-CTNGQTDRSA-N 475.590 2.233 30 10 JEEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(N2CCSCC2)CCCCC1 1740609902 PSBLLWGWNHMSSR-SFHVURJKSA-N 451.662 2.001 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@@H]1CCN(CCC)C1)[C@@H]1CCS(=O)(=O)C1 1740620689 HCUGVEHINNVULQ-WOJBJXKFSA-N 471.627 2.312 30 10 JEEE C#CCN(c1nnc(-c2ccccc2F)n1CCCN1C[C@H](C)O[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1740620884 HEUJWJYXTNCZQT-HSALFYBXSA-N 489.617 2.210 30 10 JEEE C#CCN(c1nnc(-c2c[nH]c3ccccc23)n1CCCNC(=O)C(C)C)[C@H]1CCS(=O)(=O)C1 1740622948 LNAIALDADAOAJM-SFHVURJKSA-N 482.610 2.215 30 10 JEEE C=C(Br)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1740739369 YTDPOOPFLTVLLQ-LJQANCHMSA-N 496.387 2.288 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1740758029 TZRKCRKVIHYTKT-PZJWPPBQSA-N 474.631 2.395 30 10 JEEE C=C(C)COCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCS(=O)CC1 1740792918 NBYGHBJCMONEEG-UHFFFAOYSA-N 470.599 2.397 30 10 JEEE C=C(Cl)Cn1c(Cc2ccccn2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1740811853 FBMTZAWTHPXUEV-DYESRHJHSA-N 458.010 2.395 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCCOC2)n1CC(=O)N1CCOCC1 1740913227 AWKZXXFQBULMOX-FQEVSTJZSA-N 455.559 2.232 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Br)s2)nnc1N(C)[C@H](C)CC(N)=O 1740987852 NJSIIUFJHLYOIS-LLVKDONJSA-N 476.422 2.070 30 10 JEEE CO[C@@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1748383599 CYWJHGWBRHPFIB-HNNXBMFYSA-N 487.611 2.128 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1CCNC(=O)c1cc[nH]n1 1748648698 BRDWXIPHLCGLMW-GFCCVEGCSA-N 460.311 2.458 30 10 JEEE C#CCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 1748739613 DJYVRWAEHOAKES-UHFFFAOYSA-N 470.599 2.107 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CC(F)(F)Br)[C@H]1CCS(=O)(=O)C1 1748809365 LTNAAYBCBLICER-HNNXBMFYSA-N 484.326 2.431 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCn1ccnc1C 1748915482 VLUQXAJFCXEKAM-UHFFFAOYSA-N 455.588 2.250 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@H]1CC[C@H](CO)O1 1748922484 BAGMDETVYNYMJQ-ZWKOTPCHSA-N 450.543 2.064 30 10 JEEE C#CCN(CCOC)c1nnc(Cn2ccc3ccccc32)n1CC1(S(C)(=O)=O)CCC1 1748968735 JNHMBFVCTMUDNC-UHFFFAOYSA-N 455.584 2.334 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Br)c3)n2CC(=O)NC(C)C)CC1 1749003476 KXAWATYKSHUVMC-UHFFFAOYSA-N 487.402 2.198 30 10 JEEE C#CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCOCC1 1749038059 NLPFZRAUHCJDEI-QGZVFWFLSA-N 451.593 2.180 30 10 JEEE C=C(Br)Cn1c(-c2cnccn2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1749095743 BBXVCDDEAWGBMT-CYBMUJFWSA-N 460.340 2.218 30 10 JEEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](N2CCCCC2)C1 1749402991 UGRXRSPEJHEQIR-WOJBJXKFSA-N 466.652 2.032 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@]2(C)CN(C)C2=O)C1 1749693957 MXFURDQNOHZENS-CYFREDJKSA-N 452.559 2.407 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H]2[C@H](C1)C2(C)C 1749724852 OAEADSAVIPYSKE-ROUUACIJSA-N 464.613 2.042 30 10 JEEE CS(=O)(=O)[C@H]1CCCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCO2)C1 1750193774 BJYLCEQHDAFCHG-PMACEKPBSA-N 459.572 2.311 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Cl)n1CCN1CCOCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1760184242 HTNDTCMQNBGQMC-GOSISDBHSA-N 492.045 2.336 30 10 JEEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1Cc1cccc(CN2CCOCC2)c1 1760207064 WIOAHGJWGFHESH-UHFFFAOYSA-N 457.582 2.093 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1Cc1ccccc1CN1CCC[C@H]1CO 1760217325 YGXWJNOUIQCMIQ-QHCPKHFHSA-N 455.566 2.203 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(OC)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1760326469 WMJISXXBAKGXBS-SPEDKVCISA-N 476.599 2.470 30 10 JEEE C=CCN(CC=C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1CCS(=O)(=O)C1 1760489032 AZWKMJYCCYIZCJ-QGZVFWFLSA-N 463.991 2.475 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C2CC2)C1 1760522982 IPGZUVNOWSKZBI-RBUKOAKNSA-N 467.574 2.382 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccn3)n2C[C@H](N2CCOCC2)C(F)(F)F)C1 1760546881 YGXZAJCMRAPWAR-MOPGFXCFSA-N 466.508 2.308 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 1760556792 QCQVWHWUNBVKTI-UHFFFAOYSA-N 463.629 2.164 30 10 JEEE CCCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCC2)CC1 1766213791 DKGZRMOVXVBONA-UHFFFAOYSA-N 452.559 2.386 30 10 JEEE N#CCC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCNc2nccc(C(F)(F)F)n2)CC1 1771539668 HCGQPRVWAVDGEJ-CQSZACIVSA-N 463.468 2.280 30 10 JEEE CCCCCCCCNC(=O)[C@@H](CC(N)=O)NC(=O)c1ccc(=O)n(Cc2ccc(F)cc2)c1 1861253922 VUDCSWSTGMDEKF-OAQYLSRUSA-N 472.561 2.486 30 10 JEEE C[C@H](NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1)C(=O)N(CCN)C(=O)OC(C)(C)C 1868784193 WCOSDLBSUKPUPN-RDJZCZTQSA-N 463.604 2.252 30 10 JEEE O=C([C@@H](CSCc1ccccc1)N=C1NS(=O)(=O)c2ccccc21)N1CCC(CO)CC1 1869928082 OZMVQDIESCFXBV-HXUWFJFHSA-N 473.620 2.258 30 10 JEEE COCCOC(=O)COc1cn(C[C@H](C)O)c(CSc2nc(C)c(C)c(C)c2C#N)cc1=O 1870274688 XVBAFIXEIRYXAY-AWEZNQCLSA-N 475.567 2.282 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)Nc2ccccc2OC)cn1CCNC(C)=O 1870745991 GBKAABMIMKCNMJ-UHFFFAOYSA-N 468.554 2.185 30 10 JEEE C=CCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2cc(OC)cc(OC)c2)[nH]1 1871689217 WCMCZBVGJXSVJK-UHFFFAOYSA-N 477.569 2.409 30 10 JEEE C=CCn1c(C(=O)N(CCO)CCO)cc2c(NC[C@@H](c3ccccc3)N3CCCC3)ncnc21 1875230857 QBFFIYVMARQWPG-QHCPKHFHSA-N 478.597 2.293 30 10 JEEE COc1nc(CNC(=O)[C@@H]2SCC(=O)N(C(C)C)[C@@H]2c2ccc(C#N)cc2)nc(N2CCCC2)n1 1890258017 BLYSDGYBDCEBBR-NHCUHLMSSA-N 495.609 2.062 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCC[C@@H](B2OC(C)(C)C(C)(C)O2)C1)C1CS(=O)(=O)C1 1890786494 WKRNXASCHGQLGO-HZPDHXFCSA-N 472.413 2.009 30 10 JEEE N#Cc1nccnc1O[C@H]1CCCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc(Cl)c2)C1 1892008810 QXTVYFXFFUOBSD-LPHOPBHVSA-N 475.958 2.225 30 10 JEEE C=CCNC(=O)C[S@@](=O)CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1990668278 KSVZWUPWUBDSGO-VTLMBFNKSA-N 470.547 2.419 30 10 JEEE CC(C)(C)OC(=O)NC[C@H](C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1)C(F)(F)F 2124536284 QBCHNFGDAQMTLA-GFCCVEGCSA-N 460.262 2.418 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]1CNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2247906408 ZFNYBQJYXWPIBS-OCCSQVGLSA-N 458.411 2.239 30 10 JEEE C=C(CS(=O)(=O)N1C[C@@H](C)CC[C@H]1CNC(=O)C(F)(F)F)B1OC(C)(C)C(C)(C)O1 2255794394 LCYPFNJMARYYNO-JSGCOSHPSA-N 454.320 2.283 30 10 JEEE CC1(C)OB(c2cc(C(=O)N[C@@H]3CCOC[C@H]3NC(=O)OCc3ccccc3)ns2)OC1(C)C 2255833515 DYOFGRYPAPBCRN-SJLPKXTDSA-N 487.387 2.256 30 10 JEEE CO[C@H]1C[C@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)s2)N(C(=O)OC(C)(C)C)C1 2256623500 QVGAJWXBBWMGHG-QWHCGFSZSA-N 453.370 2.405 30 10 JEEE Cc1csc(CNC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)O)c1B1OC(C)(C)C(C)(C)O1 2256625797 BUPMNKCDDSAJKV-BBRMVZONSA-N 454.398 2.246 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2267363224 GBDQMHJOPGZDCV-CZUORRHYSA-N 470.372 2.316 30 10 JEEE CCO[C@@H]1C[C@H](NC(=O)OC(C)(C)C)[C@@H]1NC(=O)c1ccoc1B1OC(C)(C)C(C)(C)O1 2267555916 SYCVMXGCARCBJI-XHSDSOJGSA-N 450.341 2.379 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)Nc2ccc(F)c(B3OC(C)(C)C(C)(C)O3)c2)C1 2268714260 IEFLJQSBNXURIQ-JOCHJYFZSA-N 450.316 2.435 30 10 JEEE CC(C)(C)OC(=O)N1CC(N2CCN(c3nccc(B4OC(C)(C)C(C)(C)O4)c3F)CC2)C1 2280756721 KCJZUNPSPVIVIQ-UHFFFAOYSA-N 462.375 2.261 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](O)CN1C(=O)c1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2281786967 YDHQYHCCTWJIRX-JKSUJKDBSA-N 464.343 2.225 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)C[C@]2(C)C1 2281977831 UWXRXUXCWINSOX-XAPDGSRCSA-N 460.384 2.474 30 10 JEEE Cc1c(C(=O)N2C[C@H](NC(=O)OC(C)(C)C)C3(CC3)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281978403 CFXUSHOCBWYKCC-HNNXBMFYSA-N 460.384 2.157 30 10 JEEE CC(C)(C)OC(=O)NCC12CC(CNC(=O)c3sncc3B3OC(C)(C)C(C)(C)O3)(CO1)C2 2282025481 PDDBMRHYCANCIJ-UHFFFAOYSA-N 479.408 2.246 30 10 JEEE C[C@H]1CCN(C(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)[C@H](CNC(=O)OC(C)(C)C)C1 2282052810 QNVHMUHPMFRXKA-HOTGVXAUSA-N 462.400 2.485 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)[C@@H](CO)C1 2282174530 GLVGTQRBOITUKE-MJGOQNOKSA-N 460.380 2.334 30 10 JEEE C[C@H](CNC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1)N1CCN(C(=O)OC(C)(C)C)CC1 2282514796 IUDRCECPNOFIAO-OAHLLOKOSA-N 480.440 2.113 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@]12CCCN(C(=O)OC(C)(C)C)C[C@H]1C2 2282536177 YZOGDYLVRYKIFM-CMJOXMDJSA-N 460.384 2.239 30 10 JEEE CC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)c(C)nn1C 2282557812 AJAPDZCFFZZBMA-INIZCTEOSA-N 462.400 2.499 30 10 JEEE COc1cccc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1COC[C@H]1NC(=O)OC(C)(C)C 2282611015 FTDFZGZJWQJQNS-HZPDHXFCSA-N 462.352 2.016 30 10 JEEE CN(Cc1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(=O)[C@@H](CCC(N)=O)NC(=O)OC(C)(C)C 2284053254 MMGAHINYZZGZAX-MRXNPFEDSA-N 481.424 2.165 30 10 JEEE CO[C@H]1[C@@H](C(=O)N[C@@H]2CCC=C2B2OC(C)(C)C(C)(C)O2)N(C(=O)OC(C)(C)C)C[C@H]1OC 2284144473 YIADYLKKTLVJHN-ZJPYXAASSA-N 466.384 2.472 30 10 JEEE CC1(C)OB(c2cccc(CS(=O)(=O)N[C@@H](COCc3ccccc3)C(=O)O)c2)OC1(C)C 2284411370 JKQKBRGXBICNBV-FQEVSTJZSA-N 475.372 2.075 30 10 JEEE COc1cccc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC(NC(=O)C(F)(F)F)CC1 2286112998 FIBYOFIKVZJVEN-UHFFFAOYSA-N 456.270 2.278 30 10 JEEE COc1cc(CNC(=O)N2CC(NC(=O)OC(C)(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2289571391 UXUFVVUCFZUDCU-UHFFFAOYSA-N 461.368 2.413 30 10 JEEE COc1ccc([C@H]2C(=C(O)c3ccc(OC)c(OC)c3)C(=O)C(=O)N2CCN2CCOCC2)cc1 2296124472 FBXIDMWZAUCTNR-QHCPKHFHSA-N 482.533 2.466 30 10 JEEE Cc1nc2c(C)cccn2c1C(O)=C1C(=O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccco1 2296933365 ICGBAZVKEWVXKB-FQEVSTJZSA-N 450.495 2.298 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CC[C@@H]2NC(=O)OCc2ccccc2)n1C 2315516179 TYIWMRCCDJZGJK-MSOLQXFVSA-N 468.363 2.215 30 10 JEEE CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@](C(=O)O)(N2CCN(Cc3ccccc3)[C@H](C#N)C2)C1 2346931376 PPJTXQYARNHEBM-REHUZNOOSA-N 458.559 2.176 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2C[C@H]1CN(C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)C2 2359313401 XAMDMBLBNLWBIK-JYJNAYRXSA-N 458.368 2.151 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C 2362482504 FZGDOZFYEYOHPP-INIZCTEOSA-N 462.400 2.405 30 10 JEEE C#CCOC[C@@H](O)CN(CCN1CCOCC1)Cc1c(-c2ccccc2)noc1N(CC)CC 36208279 HUVHGALYXJCBSW-QHCPKHFHSA-N 470.614 2.333 30 10 JEEE C/C(=N\Nc1nc(SCC(=O)NCc2nnc(C(C)C)o2)n[nH]1)c1ccc2c(c1)OCO2 59879418 ZKPDECMSNVDBQA-SSDVNMTOSA-N 458.504 2.284 30 10 JEEE Cc1ccccc1-n1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccccc2OC(F)F)c1=O 254498335 AQPMDMSTOYILHO-UHFFFAOYSA-N 497.523 2.171 30 10 JEEE CC(C)(C)NC(=O)CCN(N=Cc1cc(C(=O)O)ccc1O)C1=NS(=O)(=O)c2ccccc21 254508162 CHEATDMEJANYFL-UHFFFAOYSA-N 472.523 2.180 30 10 JEEE O=C(N[C@H]1CCNC[C@H]1C(=O)/C=C/c1ccc([N+](=O)[O-])s1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 585838889 MQJSXRGXBMOWLU-DNKSCHSHSA-N 475.439 2.463 30 10 JEEE COC(=O)c1ccc(C=NNc2nnc(SCC(=O)NCCc3ccc(Cl)cc3)n2N)cc1 1084508224 RLTJPEKZDFEKCJ-UHFFFAOYSA-N 487.973 2.329 30 10 JEEE C=CCN(C(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)[C@H]1CCS(=O)(=O)C1 1125953909 LXVQVJVPLUTMJR-ZDUSSCGKSA-N 454.460 2.186 30 10 JEEE C=CCn1nc(C)c(-c2cc(C(=O)N(CCNC(C)=O)[C@H](C)C(=O)OC(C)(C)C)n[nH]2)c1C 1138147980 DASQQQJLNBEPRC-MRXNPFEDSA-N 458.563 2.385 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1CCN1CCCS1(=O)=O 1286278650 FKMDPAGGJDPHGM-CQSZACIVSA-N 482.404 2.210 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1ccccc1Cl)N(C)C 1286296703 RDHZYOKKTSTTEO-FFZOFVMBSA-N 495.049 2.025 30 10 JEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](C)N1CCC(C)CC1 1286408801 LTHGRGQQXWUKRK-FQEVSTJZSA-N 467.643 2.431 30 10 JEEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2CCCN2CCCO[C@@H](C)C2)CC1 1286484904 PYNRSRVWHKFMLJ-QHCPKHFHSA-N 466.630 2.422 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H](C)CN(C)C(=O)OC(C)(C)C)CC1 1286485796 YKCDBBBRUKQOOC-HKBOAZHASA-N 490.649 2.260 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCCO[C@@H]2C(C)(C)C)CC1 1286490313 KIOZXVSMFODRMS-ZJOUEHCJSA-N 470.618 2.036 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](C)Oc2ccc(OC)cc2)CC1 1286493694 PEHBHUSCOZYZQB-UYAOXDASSA-N 467.570 2.224 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1286555768 LJXXPIXOJHOBBH-YRXWBPOGSA-N 495.646 2.265 30 10 JEEE C=C(Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2nccc(OC)n2)CC1)c1ccccc1 1286615256 KFUCXXLTGKLEQU-UHFFFAOYSA-N 462.558 2.255 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCC(CC(=O)NC)CC2)cc1 1286793860 OAVCNLMICCONNL-UHFFFAOYSA-N 466.586 2.480 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccn3)n2Cc2ccccc2S(=O)(=O)N(C)C)C1 1286807051 ITPRQAMOTJAMII-OAQYLSRUSA-N 482.610 2.344 30 10 JEEE C[C@@H]1COCCN1CCn1c(-c2cccc(Br)c2)nnc1N1CCO[C@@H](C#N)C1 1291306577 BRWVNGZGWWPUAX-QAPCUYQASA-N 461.364 2.157 30 10 JEEE CC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1)OC 1291832049 FOMRLXCUPFTXAB-NQIIRXRSSA-N 453.591 2.278 30 10 JEEE CCC(O)(CC)Cn1c(-c2cccc(C)n2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1292279725 FHAUERFGEHBEGM-UHFFFAOYSA-N 463.590 2.440 30 10 JEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cc(C)nc(C(C)C)n2)CC1 1300410578 PDMHDTNKRPEBDW-IBGZPJMESA-N 471.631 2.142 30 10 JEEE C#CCCCn1c(COc2ccccc2F)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1300423719 UMKIZFKGWJCPSU-QHCPKHFHSA-N 454.506 2.224 30 10 JEEE C#CCN(c1nnc(CC2CCCC2)n1CCCc1nnc(C)s1)[C@H]1CCS(=O)(=O)C1 1300500672 CBISKOYBOWTGKV-SFHVURJKSA-N 462.645 2.430 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1Cc1nc(C)c(C)s1)[C@@H]1CCS(=O)(=O)C1 1300500962 GGLUXEXGHGDGGC-QGZVFWFLSA-N 476.653 2.382 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(F)ccc2Br)n1CCCNS(C)(=O)=O 1300560569 DUYLADIAKLAYFG-UHFFFAOYSA-N 482.379 2.249 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2CCN2CCOCC2(C)C)CC1 1300708925 YPNFEADSSWEXNM-UHFFFAOYSA-N 452.603 2.032 30 10 JEEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1301502847 QLACVRLISAZNRO-KXNSMUHISA-N 461.513 2.222 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccccc2CC)C1 1301556905 KEKCDONOJFUTBF-NHCUHLMSSA-N 475.615 2.003 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](c2ccc(F)cc2Cl)C1 1301568646 VPPXZLCHTUKDKL-GOSISDBHSA-N 499.996 2.388 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCN(Cc2cc(C)on2)CC1 1301576370 CYCYETWJBAJNBP-UHFFFAOYSA-N 486.598 2.173 30 10 JEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1301611320 BIJMVHXTGYIKEO-NVXWUHKLSA-N 450.634 2.347 30 10 JEEE N#Cc1cccc(-c2nnc(N3CCC(Nc4cccnn4)CC3)n2CC(=O)NCC(F)(F)F)c1 1316528347 DBPHKGGLPAWEFI-UHFFFAOYSA-N 485.474 2.366 30 10 JEEE C#CCCCn1c(-c2cccc(OC)c2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1358922615 LEAHVQCBGWOBOE-WMZHIEFXSA-N 450.587 2.356 30 10 JEEE C#CCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC(NC(C)=O)CC1 1358932994 FBQNXIXNSFUYRB-UHFFFAOYSA-N 463.630 2.161 30 10 JEEE C#CCN(CC)c1nnc(-c2cc(F)ccc2Br)n1CC1(O)CCS(=O)(=O)CC1 1359002681 JCJDVSQMZRTLLL-UHFFFAOYSA-N 485.379 2.246 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@](C)(O)c1cccs1 1359019658 BZBYZBWAKRLXEZ-QFIPXVFZSA-N 474.608 2.404 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CCCCn2cc(Br)cn2)CC1 1359035199 ODOCOIHNCQFJSO-GOSISDBHSA-N 476.423 2.367 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC(=C)Cl)CC1 1359035709 CBGDJXZFLFQBOB-KRWDZBQOSA-N 450.971 2.094 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1359118488 MNOKWVGHLLAHDR-HTAPYJJXSA-N 461.588 2.156 30 10 JEEE C=C(C)COCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1359126748 YEYBWVLAKJGXER-LJQANCHMSA-N 461.588 2.363 30 10 JEEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1359146008 KOKCZHWNFZGJHZ-UHFFFAOYSA-N 450.374 2.490 30 10 JEEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C(=O)N(C)c2ccccc2)C1 1359150606 BWVVYAUYWMNPRP-IRXDYDNUSA-N 463.991 2.422 30 10 JEEE C=CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1359287105 NBAVJPMVLRNKIW-SFHVURJKSA-N 496.616 2.399 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1359302158 YDUQQLZZWYEHEE-UHFFFAOYSA-N 484.992 2.228 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](Cn2cccn2)C1 1359309303 OAFNMSXXCQWJFW-HXUWFJFHSA-N 465.558 2.131 30 10 JEEE CCCCN(C)C(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ncn(C)n2)CC1 1500363005 FCPUDRKHGVFXLW-UHFFFAOYSA-N 461.574 2.468 30 10 JEEE COc1ccc(C(C)(C)Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@@H](C)C#N)cc1 1504143932 BCDXCSTUMWYONF-FXAWDEMLSA-N 490.630 2.193 30 10 JEEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1C[C@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1507641033 YFSQJKOBMDVECW-GHTZIAJQSA-N 474.583 2.062 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2CCC[C@H]2OC)CC1 1507734076 GQTVSXZQMNPBBO-RBBKRZOGSA-N 499.637 2.130 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCOc2ccccc2)CC1 1507735863 IROXQLNBRCBMBP-SANMLTNESA-N 481.597 2.364 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCc2ccc(F)c(F)c2F)CC1 1507738003 FPXJPQVDIKQHOK-KRWDZBQOSA-N 461.488 2.408 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CC[C@H](OC)C(F)(F)F)CC1 1507738952 IXTGELKXWNOBMY-IRXDYDNUSA-N 457.497 2.105 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCSCC#C)CC1 1507740318 LICQWSHQASSBCR-UHFFFAOYSA-N 462.579 2.061 30 10 JEEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1ccccc1[N+](=O)[O-])C1CC1 1507868423 JRAHCRPXKIMWKJ-GOSISDBHSA-N 496.977 2.441 30 10 JEEE C=CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1507970009 ITLIILGRFFQXFL-XMMPIXPASA-N 455.607 2.138 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)C1CC1 1507998443 GPRFBPSFHIAGRX-AUSIDOKSSA-N 455.584 2.405 30 10 JEEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](C[C@@H]2CCOC2)C1 1508091471 LSZAVYSMIWCOLR-ROUUACIJSA-N 472.615 2.215 30 10 JEEE C=CCOc1ccc(Cn2c(N3CC[C@@](C)(C(N)=O)C3)nnc2[C@@]2(OCC)CCOC2)cc1 1508104770 NHHQHXORVYBFSQ-DNQXCXABSA-N 455.559 2.245 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H]2C[C@H]1CO2 1508135930 PTAWWKWIUVVZEY-KBPBESRZSA-N 456.366 2.004 30 10 JEEE C[C@H]1CCC[C@](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(S(C)(=O)=O)CC2)(N(C)C)C1 1512095082 GHLMCJKYZYVTHU-CYFREDJKSA-N 485.658 2.409 30 10 JEEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)c2cc[nH]n2)CCN1CC(F)(F)F 1512403992 GWKFAWBLPHOCKF-OAHLLOKOSA-N 487.490 2.043 30 10 JEEE C=CCN1C(=O)C(=O)N(CC(=O)N2[C@@H](C)CN(c3ccc(C(F)(F)F)cc3)C[C@H]2C)C1=O 1527651538 DYFMYADJAMGJDA-OKILXGFUSA-N 452.433 2.108 30 10 JEEE Cn1cc(-c2cccc(NC(=O)C3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)c2)nn1 1529521123 AIZQSAASLRYCTO-UHFFFAOYSA-N 450.524 2.393 30 10 JEEE CCOC(=O)c1c(NC(=O)c2ccc3c(c2)S(=O)(=O)N(C(C)C)C3=O)c(C#N)cn1CC 1536588684 AEQBESADGSXDSL-UHFFFAOYSA-N 458.496 2.362 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(F)cc2Br)n1CCOCCS(C)(=O)=O 1538992205 NEXQGBKEMQDDHR-ZDUSSCGKSA-N 473.368 2.366 30 10 JEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1539053275 OOCZCQMPZLYTHC-GJZGRUSLSA-N 451.515 2.240 30 10 JEEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1cccc(N2CCOCC2)c1)[C@@H]1CCS(=O)(=O)C1 1539201659 BOMLNJIUNUSQLO-SIKLNZKXSA-N 471.627 2.303 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(CC)s1)[C@@H]1CCS(=O)(=O)C1 1539205978 LCQCQLFYYYZUDV-VGSWGCGISA-N 478.640 2.229 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCCOCC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1539213339 YAYAVEHMBPGOAO-HXUWFJFHSA-N 476.599 2.307 30 10 JEEE C#CCN(c1nnc(-c2noc3c2COCC3)n1CC(C)(C)CC=C)[C@@H]1CCS(=O)(=O)C1 1539215863 KNFWIOGEZUESLW-MRXNPFEDSA-N 459.572 2.235 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1([S@@](C)=O)CCC1 1539285029 ZFLFMADOPMPJFG-HMJJTBFXSA-N 459.616 2.423 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCOC[C@@H]2C)CC1 1539470802 ZYRHEMSPDTZAOJ-PXNSSMCTSA-N 466.542 2.492 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2C[C@H](N2CCOCC2)C(F)(F)F)CC1 1539480648 DFNUSEDPSGOTLC-IBGZPJMESA-N 482.551 2.165 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@H](Cc2ccccc2)OC)CC1 1539484276 JSTOVLHZLOJOBR-DEOSSOPVSA-N 472.593 2.487 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CCCOC(F)F)CC1 1539484663 YIWWLPUKDBJNAV-UHFFFAOYSA-N 452.531 2.229 30 10 JEEE C#CCSCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1539498318 SAIMEENRBBQEGJ-FUHWJXTLSA-N 458.563 2.480 30 10 JEEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCC2(CC1)C[C@@H]2C(=O)NCC1CC1 1539577351 IFYXTTNWIFFHGX-MRXNPFEDSA-N 479.423 2.458 30 10 JEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC(n2c(O)nc3ccccc32)CC1 1539631183 HWFZOQFMYGIZEC-HNNXBMFYSA-N 453.524 2.144 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1539643327 MBQIORHBIAXATF-JQVVWYNYSA-N 458.607 2.123 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1([S@@](C)=O)CCC1 1540187144 LRXKIEQUVYUMSK-BJLXPSRBSA-N 466.629 2.310 30 10 JEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cc(Br)cs1 1540858174 KQCGSNONXVVOIU-AWEZNQCLSA-N 476.422 2.257 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(Cc2csc(CC)n2)CC1 1540865983 ZBMUBVXYERFZIO-UHFFFAOYSA-N 455.588 2.490 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCc2c(ccnc2O)C1 1540870651 SAMAQOWTAOSSKG-SFHVURJKSA-N 497.600 2.358 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCS(=O)(=O)N2CCSCC2)C1 1540886836 KDULXDSWHREFBQ-KRWDZBQOSA-N 499.062 2.153 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2ccc(NC(C)=O)cc2)C1 1540893073 WMRMEGHFRFVDLH-FPOVZHCZSA-N 473.599 2.163 30 10 JEEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)COc2ccc(F)cc2)CC1 1540912895 DXKNNHXOPNBIBZ-UHFFFAOYSA-N 485.589 2.465 30 10 JEEE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3cccc(C#N)c3)n2CCC2(O)CCOCC2)C1 1540937961 HOMDCTGRFWCNOG-HXUWFJFHSA-N 452.559 2.053 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCCN(c3ccccc3C#N)CC2)n1C[C@]1(O)CCO[C@@H]1C 1545909415 GCBQUFODBBLRPU-NIYFSFCBSA-N 495.628 2.325 30 10 JEEE CCN(CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1)S(C)(=O)=O 1547574258 HUGRDLQJAONOTB-NRFANRHFSA-N 497.625 2.066 30 10 JEEE COC(=O)N1CCC(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCO[C@H](C#N)C2)CC1 1554552358 HOBRALGZEDANLK-GUDVDZBRSA-N 460.579 2.404 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCCc1ccc(OCCN2CCN(C(C)=O)CC2)cc1 1563911266 YZXHMOYBIZCFIP-LADGPHEKSA-N 458.603 2.052 30 10 JEEE CC(C)Oc1ccc([C@@H](CNC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)N(C)C)cc1 1569887371 HLKGUZFFKBVRQP-VGOFRKELSA-N 458.584 2.431 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1CCCCCOC)[C@H]1CCS(=O)(=O)C1 1588044829 CAUZDKAVMHJNBP-IBGZPJMESA-N 474.583 2.160 30 10 JEEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2CCN2CCOC(C)(C)C2)CC1 1588864948 MREXMSVPJZUPIT-UHFFFAOYSA-N 466.630 2.340 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@H](C2CC2)N(C)C)CC1 1588908301 NTJZMVPWTJLWCM-QFIPXVFZSA-N 450.587 2.260 30 10 JEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCCN(C(=O)c2ccccc2F)CC1 1588968037 FQRGANGPWUSBNF-UHFFFAOYSA-N 484.601 2.372 30 10 JEEE C=C(Cl)Cn1c(N2CCN([C@@H](C)C(=O)N3CCCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1593933045 USXARPFANYGIJY-WMZHIEFXSA-N 481.041 2.204 30 10 JEEE C=C1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCNC(=O)C2CC2)CC1 1594096991 KTPIILUNNPJCMC-GOSISDBHSA-N 460.579 2.269 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC(C)(C)C)n1C[C@]1(O)CCS(=O)(=O)C1 1595100846 VJUWCLOMXRNAPA-HSZRJFAPSA-N 457.600 2.481 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@H](C(N)=O)C1 1595823847 SWELDSOJWXWHOM-ZDUSSCGKSA-N 488.397 2.076 30 10 JEEE C[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1)Oc1ccc(Cl)cc1 1611582887 DDCTYHJFKAUXAR-VKJFTORMSA-N 465.963 2.030 30 10 JEEE Cc1ccc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)cn1 1612086183 CUXSHWRQMYBUTQ-OAQYLSRUSA-N 466.567 2.494 30 10 JEEE Cc1ccccc1-c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCCC(=O)N(C)C 1612272960 DLKRFRVOTHTBQT-UHFFFAOYSA-N 475.601 2.362 30 10 JEEE CCc1nn(C)c(OC)c1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CCOC)[C@H](C)C1 1613897610 FFELJEGKMAKZJI-GOSISDBHSA-N 478.601 2.326 30 10 JEEE CN(C)C(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccnc(C(F)(F)F)c2)CC1 1617622631 HVKJLRPGIOEOCI-UHFFFAOYSA-N 498.513 2.489 30 10 JEEE C#CCNS(=O)(=O)c1ccc(C(=O)NCC2(N[C@@H](C)c3ccccc3)CCOCC2)cc1 1633481032 CGDGWXUKKZOUNL-IBGZPJMESA-N 455.580 2.228 30 10 JEEE C[C@H]1CN(CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)CCN1CC(C)(C)O 1642737668 DRKODEUCLQJMMV-OALUTQOASA-N 457.619 2.133 30 10 JEEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 1655924457 LNOWQDXQIPAGFB-LJQANCHMSA-N 450.557 2.394 30 10 JEEE C=CCC(C)(C)CNC(=O)N1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)CC1 1673081334 QGCGIZAVXSVXBS-UHFFFAOYSA-N 457.618 2.017 30 10 JEEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NC1CCN(C(=O)c2ccccc2F)CC1 1682022566 FYZHUGGZEITJKT-MRXNPFEDSA-N 451.506 2.012 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCN1CCN(Cc2ccccc2)CC1 1689825679 AYQFGSOGHPQSSX-NRFANRHFSA-N 472.597 2.201 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1CCNC(=O)c1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 1689990739 RDJKEYFKPQKKQO-FQEVSTJZSA-N 471.627 2.232 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCC[C@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1689996769 NZLSMYQRDQHAMW-LEWJYISDSA-N 474.631 2.116 30 10 JEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1c(CC)noc1C 1690013340 KRKDUGDQPHOQHD-UHFFFAOYSA-N 451.556 2.218 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H](C)N1CCN(c2ccccc2)CC1 1690030118 OTQZGBAKSJNZEF-CUYJMHBOSA-N 476.625 2.286 30 10 JEEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCNC(=O)c1ccco1 1690061335 VMIIJGYMRWRPCM-UHFFFAOYSA-N 469.571 2.029 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@H](C)CN2CCOCC2)CC1 1690115253 YPRLFGVMPGOQEY-LJQANCHMSA-N 474.556 2.270 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2Cc2cccc(C(=O)NCCC)c2)CC1 1690141857 CSUPALLRYHZVNG-UHFFFAOYSA-N 485.592 2.494 30 10 JEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 1690170372 HARCYQGUFWEQSO-QGZVFWFLSA-N 462.620 2.337 30 10 JEEE C#CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCOC[C@H]1C 1690175383 VTFUTJXMQVWTEM-SJORKVTESA-N 451.593 2.178 30 10 JEEE C=C(C)CN(CC)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1690255001 MUGKCEIAEQWCRY-RTBURBONSA-N 464.636 2.121 30 10 JEEE C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N1CCCN(S(C)(=O)=O)CC1 1690276060 HPCXDOSXQGMKOQ-UHFFFAOYSA-N 457.398 2.094 30 10 JEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](NC(=O)OCC)C1 1690644509 PWLYQFOJILUUGZ-IRXDYDNUSA-N 464.567 2.487 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CCC2(CC1)COC(=O)N2 1690663201 PFXYCCBDANBUPZ-UHFFFAOYSA-N 481.376 2.150 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCCN(c2nc(C)ns2)CC1 1690673149 PNFILOZEOXAWSW-UHFFFAOYSA-N 470.578 2.187 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCn1cccn1 1690683759 ULZLSOGINSQHRR-LJQANCHMSA-N 456.572 2.126 30 10 JEEE C[C@@H]1SCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCS(=O)(=O)C2)[C@H]1C 1693880966 AFUYUMNYSPXENM-BQFCYCMXSA-N 461.613 2.494 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCCC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1705559896 GSBQZMIGRJFLNC-HKUYNNGSSA-N 491.589 2.052 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCOc1ccc(F)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1705564169 AUMUPCNJZJLGIY-IAGOWNOFSA-N 480.537 2.156 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)c1cccc(OC)c1 1705612653 LMUCCCFKIGPGAK-HXUWFJFHSA-N 475.615 2.057 30 10 JEEE C#CCN(CCOC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@]1(O)CCO[C@H]1C 1705629065 WKRNJGUEBHETLP-MHECFPHRSA-N 477.606 2.019 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2CCc2cn3ccccc3n2)CC1 1705644196 IHLIIROQZJUYBY-UHFFFAOYSA-N 490.612 2.053 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CC[C@@H]2CCOc3ccccc32)CC1 1705644262 KIFJKEZVRWFSPZ-LJQANCHMSA-N 478.597 2.339 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2cc(C)on2)CC1 1705694788 TTXGBGKETTWIIR-UYAOXDASSA-N 457.579 2.016 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)CC1 1705781587 CWJFSJNKKOENMN-OALUTQOASA-N 475.590 2.066 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 1705899884 JTKSRBGVSOTUNP-GOSISDBHSA-N 467.530 2.340 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2CC(=O)NC(C)C)C1 1705915548 FDYHEKSYMHMPQK-HNNXBMFYSA-N 451.369 2.352 30 10 JEEE CC(C)NS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](N2CCCCC2)C1 1706655690 GHGZVWQLCKEIGK-NRFANRHFSA-N 471.631 2.209 30 10 JEEE CN(C)C(=O)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1710979158 GLTLYKFJBMWJHV-QFIPXVFZSA-N 495.628 2.146 30 10 JEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 1722307763 AQBWXEGFLPZSOR-RBUKOAKNSA-N 487.630 2.250 30 10 JEEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1722324192 MKAJAKVHSOFADX-HXUWFJFHSA-N 451.962 2.451 30 10 JEEE C#CCCCn1c(Cc2c(F)cccc2F)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1722337196 XNKSDYMMQYANJT-QHCPKHFHSA-N 456.497 2.375 30 10 JEEE C#CCN(C)c1nnc(-c2ccc(OCCCC)c(OC)c2)n1CC1(O)CCS(=O)(=O)CC1 1722349590 SVVRMEBFMIRTOS-UHFFFAOYSA-N 476.599 2.142 30 10 JEEE C#CCN(c1nnc(CC2CCCC2)n1C[C@@]1(N(C)C)CCSC1)[C@@H]1CCS(=O)(=O)C1 1722370594 CUWWWRJNMOQOBN-KNQAVFIVSA-N 465.689 2.075 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@]1(N(C)C)CCSC1 1722380763 XMRAORLSSKGSQI-VWLOTQADSA-N 475.622 2.185 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C(CC)CC)N(C)C)CC1 1722428797 ATCBFBVDMHTYTC-FQEVSTJZSA-N 452.607 2.047 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1722690517 JYFAVIXXNQWQDO-RBUKOAKNSA-N 475.615 2.351 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)CCC(F)(F)F 1722697842 REQOQLGQARSGDR-UHFFFAOYSA-N 463.464 2.366 30 10 JEEE CO[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(c2ccccc2C#N)CC1)C(C)C 1729878086 BKJIPAVLRKANMS-FPOVZHCZSA-N 451.575 2.489 30 10 JEEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](n2cncn2)C1 1740590131 FPESNQSAMMAOCT-OALUTQOASA-N 470.578 2.433 30 10 JEEE C#CCCCn1c(N2CCC(S(C)(=O)=O)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740596772 LIQNIGAFNWHFNX-CALCHBBNSA-N 465.620 2.476 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H](C)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1740628609 ZCDWKNIPEXQIGM-SQNIBIBYSA-N 481.619 2.060 30 10 JEEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(C)cc1N1CCOCC1 1740633034 ZTUGEGVCPQIGEQ-SANMLTNESA-N 463.582 2.196 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccc(C(C)(F)F)c2)CC1 1740696102 MDWRCXRDCSWNAF-SFHVURJKSA-N 463.554 2.095 30 10 JEEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](c2ccc(F)cc2)C1 1740717025 HEYRDHMHKUREDS-UYAOXDASSA-N 493.630 2.110 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C(CC)CC)N1CCOCC1 1740726227 ZJAMFESYQFRJPA-KKLQWCBXSA-N 480.679 2.017 30 10 JEEE C=CC1CCN(c2nnc(C(=O)N3CCCC3)n2CCCNC(=O)c2cccc(O)c2)CC1 1740833822 BSHGGWHARLCCHR-UHFFFAOYSA-N 452.559 2.442 30 10 JEEE C=CCCCCn1c(-c2ccccc2Cl)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1740860020 WFOYYCSGSYZWEY-UHFFFAOYSA-N 484.992 2.421 30 10 JEEE C=CCCOCCn1c(-c2ccc(C)o2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1740883986 LQUDVUOOAIFSMV-NQIIRXRSSA-N 456.591 2.428 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCc2cccc(Br)c2C1 1740957108 BKIHJNYNFSNJEE-UHFFFAOYSA-N 454.332 2.363 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1740964002 DVDBRSYGDJWWGU-XMMPIXPASA-N 455.559 2.242 30 10 JEEE C=CCOc1ccc(Cn2c([C@H]3CCCCO3)nnc2N2CCN(CC(=O)NCC)CC2)cc1 1740967038 UXGZEVDXNNHLJH-JOCHJYFZSA-N 468.602 2.391 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCO[C@@H](c2nnc(C(C)C)o2)C1 1740991810 FFWZKXIHFQZYQS-MRXNPFEDSA-N 452.581 2.162 30 10 JEEE C=CCSCCn1c(Cc2ccsc2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1741003931 JPTAGDDIBNSGPL-MRXNPFEDSA-N 458.617 2.382 30 10 JEEE CC(=O)NCC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCCS2(=O)=O)CC1 1741098312 FCCHRRHPAAAQRN-NRFANRHFSA-N 470.599 2.137 30 10 JEEE CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1CCCc1cnn(C)c1 1747395631 GYUBVZDQIZDQBG-QGZVFWFLSA-N 455.588 2.442 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCn1cc(Br)cn1 1748665884 WNJFEVXNLDLTLW-CQSZACIVSA-N 491.419 2.355 30 10 JEEE C#CCN(c1nnc(Cc2c[nH]c3ccccc23)n1CCC(=O)NC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1748821269 NWMRKRPEDITVSQ-LJQANCHMSA-N 496.637 2.282 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(C)nc3ccccc23)n1CCN1CCN(C(C)=O)CC1 1748828804 MIYYZDRHCUYWGC-UHFFFAOYSA-N 455.566 2.039 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCN(c3ccccc3F)C2)CC1 1749001485 TUHWTGXXDIAJQQ-LJQANCHMSA-N 495.603 2.048 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H]2C[C@H]2C)CC1 1749001508 URDULJBQENRNEJ-APWZRJJASA-N 468.989 2.483 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)CNC(=O)OC(C)(C)C 1749053839 MSYRPSMZWPTZCU-GCKMJXCFSA-N 468.624 2.041 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)CNC(=O)OC(C)(C)C 1749053840 MSYRPSMZWPTZCU-VWKPWSFCSA-N 468.624 2.041 30 10 JEEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1749210327 HMVUAPKVUDBSPJ-FQEVSTJZSA-N 480.573 2.237 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2(OCC)CCCC2)CC1 1749303377 JHYDPIIBTJUZQF-SFHVURJKSA-N 453.609 2.117 30 10 JEEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCCN1CCC[C@H]1CO 1749484713 GRIHMXACKAKWKL-SFHVURJKSA-N 451.575 2.051 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(OC)CCOC1 1749584037 DMPSUPUKSWJBFI-NFBKMPQASA-N 460.600 2.221 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(CC(F)(F)F)CC1 1749679904 DBTFVTSHNTWVLS-UHFFFAOYSA-N 466.508 2.460 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2CCOC[C@@H]2OC)C1 1749696800 FGNCTXUAURUXCF-UGTOYMOASA-N 450.580 2.152 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCNC(=O)OC(C)(C)C)C1 1749699065 YZMRYXMEIVDVNP-VGOFRKELSA-N 451.568 2.236 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(Cc3ccc(F)cc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1749715147 PZFSKPWETYYLEC-ZABCRHKISA-N 466.517 2.316 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Br)c2)nnc1N1CCO[C@H](C#N)C1 1749724076 GXWXSERJTNOCJI-MRXNPFEDSA-N 466.361 2.037 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(C)(C)C)CC1 1749725553 WIFZIJFMYLABKC-UHFFFAOYSA-N 462.576 2.375 30 10 JEEE Cc1csc([C@H](C)Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(CCC#N)CC2CC2)n1 1751739244 DLLBOFBXHWAVMR-QAPCUYQASA-N 493.659 2.310 30 10 JEEE Cc1nc(CCn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@](C)(C(N)=O)C2)cs1 1751791760 IAGXTANACTZUOC-JOCHJYFZSA-N 451.556 2.438 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@]1(O)CCSC1 1760111933 XEWSZKIFGKRRAW-QMHKHESXSA-N 452.584 2.391 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2CCOC[C@H]2OC)c1 1760127982 SRLOYDAMSAQTSO-QRVLJTFESA-N 497.596 2.110 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@]2(O)CCCC2(C)C)c1 1760128427 HTWCMFDBUSRCEC-KBMIEXCESA-N 499.637 2.178 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1C[C@H]1C)[C@H]1CCS(=O)(=O)C1 1760181297 RZWBCNJMLVPQJZ-YCPHGPKFSA-N 466.405 2.329 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H](C(C)C)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1760186955 BKPVIUIBVRLDQJ-NHCUHLMSSA-N 456.616 2.087 30 10 JEEE C#CCN(c1nnc(CCOc2ccccc2)n1CC1(OC)CCCC1)[C@H]1CCS(=O)(=O)C1 1760191150 BORHXLLXLISOJV-FQEVSTJZSA-N 472.611 2.486 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccccc2Br)n1Cc1cn(C2COC2)nn1 1760214641 WSHDGCZVIVJODA-UHFFFAOYSA-N 466.343 2.382 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1CCC1CCN(CC(F)(F)F)CC1 1760247685 LAPCJTHEXOTCNQ-UHFFFAOYSA-N 451.497 2.486 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1760253459 FPHNZLQBSVXBGZ-AJSBUHFISA-N 469.586 2.112 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2C[C@]2(N(C)C)CCSC2)CC1 1760264867 YEEUCQDEOBDGME-XMMPIXPASA-N 470.643 2.058 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(F)cc2)CC1 1760281703 QCVSDFVJOOTCIS-QGZVFWFLSA-N 463.604 2.012 30 10 JEEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1760406887 ORXKENRFBCRMIB-AWEZNQCLSA-N 494.584 2.386 30 10 JEEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1760526975 WXCFQZNJGTWCFQ-IBGZPJMESA-N 452.559 2.059 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCCN(C(=O)C(C)C)CC1 1760527021 XJDPXZLFVAHXAX-UHFFFAOYSA-N 468.602 2.471 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCOCC2(CC2)C1 1760550941 OLSJUFOELUNPGB-UHFFFAOYSA-N 470.393 2.253 30 10 JEEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1760569783 ZYHMNPJHHFSLDD-FQEVSTJZSA-N 450.634 2.074 30 10 JEEE CCN1CCN([C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCCC[C@H](S(C)(=O)=O)C2)CC1 1765496877 CGWDOUQIGMGWLE-OFNKIYASSA-N 499.685 2.246 30 10 JEEE COc1ccc(O[C@H](C)Cn2c(C)nnc2N2CCN(c3c(C#N)c(C)nn3C)CC2)cc1 1768706078 AIDMUECDURDUIO-MRXNPFEDSA-N 450.547 2.303 30 10 JEEE N#Cc1ccccc1S(=O)(=O)N[C@H]1CCN(S(=O)(=O)c2ccc(Br)s2)C1 1858330776 QXFBBZRHLNHINT-LBPRGKRZSA-N 476.399 2.124 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)CN2CCN(c3nc(O)cc(C(F)(F)F)n3)CC2)nc1C 1859430586 CCGALLBHTBVICO-UHFFFAOYSA-N 486.476 2.069 30 10 JEEE N#Cc1ccc(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CC[C@@H]2CCS(=O)(=O)C2)cc1 1866922248 KNNJBLNIJSZRBF-NQIIRXRSSA-N 455.536 2.145 30 10 JEEE CC(C)OC(=O)c1ccc(Cn2nnc(C#N)c2NC(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)cc1 1870109373 SEFAMNNRXGVMRB-QGZVFWFLSA-N 452.515 2.349 30 10 JEEE Cc1c(Cl)cccc1-n1nnc(C#N)c1NC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 1870155253 DEYDJAAYQZIGDI-UHFFFAOYSA-N 465.813 2.244 30 10 JEEE CCN(CC)CC#CCNC(=O)C[C@@H]1Cn2c(nc3c(cnn3-c3cccc(C)c3)c2=O)S1 1891098368 SJRQRWZBIZALRC-LJQANCHMSA-N 464.595 2.216 30 10 JEEE N#CC12COC(CS(=O)(=O)C[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)C(=O)O)(C1)C2 2074667465 PREIRRZPSUFXOH-ANYOXOOPSA-N 496.541 2.466 30 10 JEEE C#CC(CC)(CC)NC(=O)Cn1cnc(I)c1I 2075091418 JORLFFPUWCHBQO-UHFFFAOYSA-N 471.080 2.401 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](C(=O)NCCc1cccc(B2OC(C)(C)C(C)(C)O2)c1)C(C)(C)O 2188010622 QCWIRTIVOFEKEB-SFHVURJKSA-N 462.396 2.309 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2247880877 NBPGSVDXUCHRBI-AWEZNQCLSA-N 458.411 2.335 30 10 JEEE CSC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)c(C)n1 2256597968 LCLMTBYPQHAZCE-AWEZNQCLSA-N 452.386 2.279 30 10 JEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H]1COC[C@H]1CNC(=O)OC(C)(C)C 2267005602 NXQMZIKXWARCHK-GDBMZVCRSA-N 450.341 2.157 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]1CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2267363225 GBDQMHJOPGZDCV-XJKSGUPXSA-N 470.372 2.316 30 10 JEEE CC(C)(C)OC(=O)NCC1(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)CCOCC1 2267538151 LFRYBYLXBHPFMP-UHFFFAOYSA-N 467.397 2.246 30 10 JEEE CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1CNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2267589949 IGDCYXZMZXUPTD-HNNXBMFYSA-N 465.425 2.328 30 10 JEEE COc1ccc(NC(=O)[C@H](O)[C@H](C)NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2268633331 BMQBMRVOUSXDGW-SUMWQHHRSA-N 450.341 2.207 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)O 2268652151 SABUKXQHSILTER-DYVFJYSZSA-N 450.341 2.207 30 10 JEEE CC(C)(C)OC(=O)N1CCC(NC(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)(C(N)=O)CC1 2281805154 UZJODYWMULHAME-UHFFFAOYSA-N 479.408 2.032 30 10 JEEE Cn1nc(C(=O)N2CCC(CCNC(=O)OC(C)(C)C)CC2)cc1B1OC(C)(C)C(C)(C)O1 2281983158 YGGMGISMFFZYEU-UHFFFAOYSA-N 462.400 2.486 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2CCN(C(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)CC[C@@H]2C1 2282062966 GCKSVJWGMZXQKZ-HZPDHXFCSA-N 460.384 2.428 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N=[S@](C)(=O)CC1CN(C(=O)OC(C)(C)C)C1 2282105846 QFTFRRVRSGLKDI-MGBGTMOVSA-N 481.424 2.429 30 10 JEEE C[C@H]1C[C@H](NC(=O)C(F)(F)F)CCN1C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1O 2282882968 TWDHCHZDDRDCHI-GXTWGEPZSA-N 456.270 2.363 30 10 JEEE CC(C)(C)OC(=O)N1CC(O)([C@H](F)C(=O)Nc2ccc(F)cc2B2OC(C)(C)C(C)(C)O2)C1 2284057772 DQXVXKWLASFWKE-MRXNPFEDSA-N 468.306 2.383 30 10 JEEE Cc1ccc([C@H]2C(=C(O)c3c(C)nc4ccccn34)C(=O)C(=O)N2CCN2CCOCC2)o1 2296098550 AWXUBEZCPZXQDZ-NRFANRHFSA-N 450.495 2.298 30 10 JEEE Cc1ccc(CNC(=O)[C@@H]2COC[C@@H]2NC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2296180517 OAGQEVNHHZYYRY-MJGOQNOKSA-N 460.380 2.450 30 10 JEEE COCCOCC(=O)N1C[C@@H](C2CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)[C@@H](C(N)=O)C1 2297649783 COKWJQKFVCOFJB-OALUTQOASA-N 482.503 2.016 30 10 JEEE COc1ccc(NC(=O)C[C@H](O)CNC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2339739166 OOJHOPAXEKUYNX-HNNXBMFYSA-N 450.341 2.209 30 10 JEEE Cn1ncc(C(=O)N2C[C@H]3C[C@H](NC(=O)OC(C)(C)C)C[C@@H]2C3)c1B1OC(C)(C)C(C)(C)O1 2359277449 RZEDKUOWJDIUHX-JYJNAYRXSA-N 460.384 2.237 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)[C@H]2CCC[C@@H]12 2362338783 UEZSTWSKHSOHLF-XHSDSOJGSA-N 460.384 2.237 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCc1ccnc(NC(=O)OC(C)(C)C)c1 2362354661 CTAIOMMTMSMWPW-UHFFFAOYSA-N 457.340 2.391 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC(F)(F)C[C@@H]1CNC(=O)OC(C)(C)C 2362357887 SRBLKNUDDFVTIX-CYBMUJFWSA-N 470.326 2.094 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@]2(C1)C[C@@](C(=O)O)(N1CCN(Cc3ccccc3)[C@@H](C#N)C1)CO2 2373505738 VEUBZVAJJWZWII-BUUDZMLXSA-N 470.570 2.320 30 10 JEEE CCCCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(C)c2N2CCN(CCO)CC2)SC1=S 33389596 QYUQJXGNGJTOKG-RGEXLXHISA-N 489.667 2.071 30 10 JEEE C=CCn1c(=O)c2ccc(C(=O)NC(C)C)cc2n2c(=O)n(CC(=O)Nc3c(C)cccc3C)nc12 64581524 BRXPNRRTMDGSFE-UHFFFAOYSA-N 488.548 2.391 30 10 JEEE N#CCC(=O)NCC1CCN(C(=O)[C@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)CC1 219528280 JNSRPHUPDGTGPO-QFIPXVFZSA-N 458.518 2.162 30 10 JEEE C#CCOc1cccc(OC(=O)c2cc(O)nc3ccc(S(=O)(=O)N4CCOCC4)cc23)c1 730497159 AVHTXJOMOXPLPW-UHFFFAOYSA-N 468.487 2.193 30 10 JEEE COc1ncccc1CN1C(=O)[C@H](CC(=O)Nc2cnccn2)S/C1=N/CCc1ccccn1 730722169 DMYVHJHIYVCQBO-LNIXQANYSA-N 477.550 2.347 30 10 JEEE O=C(O)CCN1CCN(C(=O)C#CCNC(=O)OCC2c3ccccc3-c3ccccc32)CC1 757474218 HTJSCOMKJMCHCD-UHFFFAOYSA-N 461.518 2.147 30 10 JEEE COCCn1cc(C=NNc2nc(SCC(=O)NCCc3ccc(Cl)cc3)n[nH]2)cn1 1084390070 ACUKERZOWZSHBP-UHFFFAOYSA-N 462.967 2.198 30 10 JEEE C=CCOC[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1)C(=O)OC 1155779715 UEGBBHKJYWVNHA-FQEVSTJZSA-N 458.536 2.302 30 10 JEEE COC(=O)C1(C#N)CCN(C(=O)c2ccc(C)c(S(=O)(=O)NCc3ccccc3)c2)CC1 1157759758 DPSRSFBGYLAINF-UHFFFAOYSA-N 455.536 2.393 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1CC1(SC)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1286393278 QLUWAPVUSXESST-GOSISDBHSA-N 495.696 2.173 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2ccccc2OC)n1C[C@H](N1CCOCC1)C(F)(F)F 1286411131 MUNPAVBXIXYVAA-FQEVSTJZSA-N 461.488 2.213 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCOCCN(C)C 1286430441 NKTNNEBVLRWKRU-OAQYLSRUSA-N 472.634 2.434 30 10 JEEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C(C)C)N1CCOCC1 1286446035 CKRYIJCRHAKQGY-LEWJYISDSA-N 490.649 2.403 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cnn2ccccc12 1286455473 VNDIWLBGZQAFQK-QGZVFWFLSA-N 481.557 2.363 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)c2ccsc2)CC1 1286607265 DVHVSFCKGOIUTI-GOSISDBHSA-N 493.655 2.233 30 10 JEEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ncccc2C#N)CC1 1286668393 QPZXCKQHEKUOTP-KRWDZBQOSA-N 472.619 2.084 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCO[C@H]1CCCC[C@H]1C)C1CC1 1286736670 HQPONBADIZNGQP-HOJAQTOUSA-N 467.636 2.361 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](COC(C)C)C2)cc1 1286797674 YWWXDBCSOYGUTB-IFMALSPDSA-N 490.626 2.424 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC([C@H]2CC2(F)F)CC1 1286814215 NJMOPHMTUJQWLK-MRXNPFEDSA-N 480.541 2.398 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1CCc2ccc(Cl)nc2C1 1286814235 NZSRXPBFSIFWFK-UHFFFAOYSA-N 481.022 2.408 30 10 JEEE CC(=O)N1CCN(CCn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CCC(CC#N)CC2)CC1 1286888757 DOYRATQLVDDLSG-UHFFFAOYSA-N 492.628 2.441 30 10 JEEE Cc1noc([C@H]2CCCN(c3nnc(-c4ccc(C#N)cc4)n3CCCS(C)(=O)=O)C2)n1 1290944887 BBRCPYLTUPKLSQ-SFHVURJKSA-N 455.544 2.327 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1CCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1300485831 ZJHOPHSKWICBSW-HKUYNNGSSA-N 486.573 2.389 30 10 JEEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1CC(=C)Br)[C@H]1CCS(=O)(=O)C1 1300501348 KAUHGPOPRLHHQZ-KRWDZBQOSA-N 489.399 2.052 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@]1(O)CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1300505123 XXOMGBVINSVXAH-MZLICYQSSA-N 472.611 2.343 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccccc2OC)n1C[C@@]1(N2CCOCC2)CCSC1 1300526987 SJTFCYFEAKSWOE-DEOSSOPVSA-N 451.596 2.234 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@]1(OC)CCOC1 1300676397 ONQWHOHGTUTWAY-FDDCHVKYSA-N 463.579 2.242 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CC2(c3cccc(F)c3)CC2)CC1 1300710472 CCXZWXYCAFPAGN-UHFFFAOYSA-N 466.561 2.253 30 10 JEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)C1CCN(C(=O)c2ccccc2)CC1 1300756198 IHKNZXVORWLJCK-FQEVSTJZSA-N 466.611 2.337 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCCN1CCCC[C@@H]1C 1300805886 KKHZKRSZERXKGV-AWRGLXIESA-N 492.690 2.258 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CN2CCCC2=O)n1C[C@@]1(O)CCO[C@H]1C 1301338292 VGVPGBJVDOZHPH-UUOWRZLLSA-N 455.559 2.142 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccncc2)n1C[C@]1(O)CCS(=O)(=O)C1 1301355134 QHCYAYJYMCMBEP-HSZRJFAPSA-N 471.558 2.145 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1301425299 UXELONDULZCCDF-OALUTQOASA-N 497.662 2.466 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CCN(c2cnccn2)CC1 1301577264 MHRGUULCNIEPJX-UHFFFAOYSA-N 467.599 2.225 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)c1ccc(F)cc1 1301588703 ILFIIGKUHWJLRE-NVXWUHKLSA-N 470.592 2.118 30 10 JEEE CCOC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1314043467 FUFMVBJHRZQJEU-INIZCTEOSA-N 493.609 2.041 30 10 JEEE CN(C[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCOC2)C1)S(C)(=O)=O 1314803310 FSLQFOXOVAQOEK-UXHICEINSA-N 472.615 2.351 30 10 JEEE COc1ccc(C[C@H](C)Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@H](C)C#N)cc1 1315440089 GPVUSOYLNRQHTG-WAOWUJCRSA-N 490.630 2.094 30 10 JEEE C#CCNC(=O)c1ccccc1NC(=O)c1cn([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nn1 1357703497 FKTVKWOTIZGEAO-MRXNPFEDSA-N 452.515 2.465 30 10 JEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCCN(C(=O)C2CC2)CC1 1358922332 BLVUJLHQGUKHSI-UHFFFAOYSA-N 455.584 2.211 30 10 JEEE C#CCN(c1nnc(C2CCC2)n1C[C@H](CC(C)C)NC(=O)OCC)[C@H]1CCS(=O)(=O)C1 1358961667 CXSGSZJGWOWXRK-OALUTQOASA-N 465.620 2.333 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCN1CCOC[C@@H]1C 1358991578 HBECWKSUPLQZDF-NRFANRHFSA-N 487.608 2.420 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(Br)c3)n2CCCc2cnn(C)n2)CC1 1359031281 WNKUPKHQZHPDGI-UHFFFAOYSA-N 469.391 2.224 30 10 JEEE C#CCN1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@@H]2CCCO2)CC1 1359034688 AJMWXIHOYSYHKF-FQEVSTJZSA-N 458.607 2.327 30 10 JEEE C#CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(C)=O)C[C@H]1C 1359057943 NCUYXERQUJROOD-IEBWSBKVSA-N 492.646 2.010 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@]1(C)CN(C)C1=O 1359066104 NRFIECDMHPSPFZ-DNQXCXABSA-N 453.543 2.441 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCCN(C(C)C)CC1 1359291286 KWPSVCYGIIWBOW-UHFFFAOYSA-N 453.591 2.370 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCc2nc(O)c(C#N)cc2C1 1359293302 MNNSMSLXNCFNTB-HNNXBMFYSA-N 477.500 2.394 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1359296597 OHIPNORLBIIAHV-RTBURBONSA-N 482.585 2.292 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc3cccnc23)nnc1N1C[C@@H](COC)O[C@H](C)C1 1359329625 PBTMOEWHRLFPND-MJGOQNOKSA-N 471.583 2.334 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCN(Cc2cscn2)CC1 1359331375 WVQYVPWIBAQIBA-UHFFFAOYSA-N 473.628 2.028 30 10 JEEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CC(O)(c3ccc(Br)cc3)C2)cc1 1453536529 UZAIOSCOWFIXNI-UHFFFAOYSA-N 451.342 2.257 30 10 JEEE CO[C@@H]1COCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1504520228 BTNATWOFQPFCGP-KSEOMHKRSA-N 452.559 2.173 30 10 JEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1507574700 BEUBYSQQXYASCR-MRXNPFEDSA-N 483.516 2.267 30 10 JEEE C#CCCCn1c(N2CCC(NC(=O)c3cc(C)on3)CC2)nnc1[C@]1(OCC)CCOC1 1507598121 BJWDEIKRHJRWSV-QHCPKHFHSA-N 456.547 2.039 30 10 JEEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(NC(=O)C2CCCC2)c1 1507602004 XOJQERDTANHEPS-INIZCTEOSA-N 458.588 2.135 30 10 JEEE C#CCN(c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC(=O)N(C)CC)[C@H]1CCS(=O)(=O)C1 1507629488 UMIWNSMLWBDHSS-WMZOPIPTSA-N 489.667 2.236 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CCN1CCSCC1)[C@@H]1CCS(=O)(=O)C1 1507630037 YNOXYBGZMQQJGI-OAQYLSRUSA-N 473.668 2.183 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CCc1ccccc1OC)[C@H]1CCS(=O)(=O)C1 1507636080 YIRWKVUMWQDNGD-NRFANRHFSA-N 465.579 2.142 30 10 JEEE C#CCN(c1nnc(CCCc2ccccc2)n1Cc1nnc(C)s1)[C@H]1CCS(=O)(=O)C1 1507637400 APPUOLNHGURSGS-IBGZPJMESA-N 470.624 2.288 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CC1CCN(Cc2ccccc2)CC1 1507713099 XXGQJBLQCKUYKU-QFIPXVFZSA-N 450.587 2.227 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](C)Sc2ccccc2)CC1 1507732876 YPXJVOOMDYGSRD-MOPGFXCFSA-N 459.641 2.116 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CCCN2CCN(c3ccncc3)CC2)CC1 1507742676 NOXMWBUHZINJEZ-UHFFFAOYSA-N 492.672 2.050 30 10 JEEE C#CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CC)[C@@H](C)C1 1507750721 CLUQAHPQUVNONH-OALUTQOASA-N 478.663 2.483 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCS(C)(=O)=O 1507767985 KDQUGLMPMUEDHW-HTAPYJJXSA-N 465.620 2.429 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1507791036 GXUSTLFYJRXZKR-TZIWHRDSSA-N 482.585 2.066 30 10 JEEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2cc(OC)c(OC)c(OC)c2CC1 1507823643 AYAVIDSXCACGHQ-OAHLLOKOSA-N 479.603 2.095 30 10 JEEE C=CCCOCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1507957527 QAYOQBZDVXYCNR-UHFFFAOYSA-N 495.584 2.261 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1508077316 MDTXEOPKCKTHKT-UHFFFAOYSA-N 461.570 2.201 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N(CC)Cc1nc(O)c2ccccc2n1 1508092478 ZBBMZKVCMQHVHY-GOSISDBHSA-N 451.531 2.497 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 1508097776 URORHMAMGIVNLO-DOTOQJQBSA-N 473.965 2.335 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2CCN(CC(F)(F)F)CC2)C1 1508126075 SVYQFMAAMXMLKR-IAGOWNOFSA-N 456.513 2.285 30 10 JEEE CN(C)C1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(OCC(N)=O)CC2)CCCC1 1516987221 HBANEXDFUGLEKM-UHFFFAOYSA-N 451.575 2.162 30 10 JEEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1Cc1c(CC)nn(C)c1OC 1539170861 CEQJOZANOOXCFI-UHFFFAOYSA-N 474.569 2.487 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCC(=O)NC1CCCCC1)[C@H]1CCS(=O)(=O)C1 1539216194 OXMSUMFEMISKMY-FQEVSTJZSA-N 484.626 2.114 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2Cc2ccc(OC)c(OC)c2OC)CC1 1539446000 NKMOKYLUALRZBD-UHFFFAOYSA-N 462.554 2.478 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1CCCS(=O)(=O)c1ccccc1 1539564246 XCXOVWHSMMWSBS-HSZRJFAPSA-N 455.584 2.257 30 10 JEEE C=C(C)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@H](CNC(C)=O)C1 1539686496 YHQUGEUNGOLADA-GOSISDBHSA-N 459.620 2.475 30 10 JEEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 1540034163 XSRDKEVSJWQDLJ-UHFFFAOYSA-N 451.506 2.316 30 10 JEEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2nccnc2C)CC1 1540039924 KHIIVDYJEBWUMC-UHFFFAOYSA-N 451.579 2.157 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1540864210 SMYQUJPOKKIORO-GFCCVEGCSA-N 490.328 2.411 30 10 JEEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN(CC(=O)Nc2ccccc2CC)CC1 1540871875 WDHGJCHKHPKLHF-UHFFFAOYSA-N 481.645 2.492 30 10 JEEE C=CCNC(=O)Cn1c(N2CCO[C@@H](c3ccccc3)C2)nnc1[C@]1(OC(C)C)CCOC1 1540876573 VNKBUSYIFUPTRX-YKSBVNFPSA-N 455.559 2.199 30 10 JEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCCN1CCN(C(=O)OC(C)(C)C)CC1 1541005777 LHJSTMSHEWTMPU-GOSISDBHSA-N 452.596 2.352 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CC1(O)CCS(=O)(=O)CC1 1541801699 BBFVISDVOXWYQH-INIZCTEOSA-N 470.555 2.278 30 10 JEEE CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCCC(=O)N1CCN(c2ccc(C#N)cc2)CC1 1557721981 CAZCCTPDSKJSRJ-NRFANRHFSA-N 457.575 2.262 30 10 JEEE C#C[C@H](CO)NC(=O)[C@H]1CCC(=O)N(c2ccc(OC)cc2)[C@H]1c1ccc(OC)c(OC)c1 1569718033 RLEYVUOKAULPLW-YQOVMPOYSA-N 452.507 2.307 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](c2ccco2)N(C)C)c1 1587693154 PVUYXFZKOCOENF-UXHICEINSA-N 475.553 2.181 30 10 JEEE C#CCCCCn1c(N2CCC[C@@H](N3CCCS3(=O)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1587792839 BQNWQNILMDTWDV-OFNKIYASSA-N 479.647 2.127 30 10 JEEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@H](C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 1588044629 AASDEOXYXMQJJJ-MOPGFXCFSA-N 459.591 2.443 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1c(F)cc(F)c(F)c1F)[C@H]1CCS(=O)(=O)C1 1588055220 UAWRKWAUPLZSQU-KBPBESRZSA-N 486.491 2.404 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1Cc1ccc(OC)nc1OC)[C@H]1CCS(=O)(=O)C1 1588058906 FJIJEWXOGOIWSS-NRFANRHFSA-N 495.605 2.265 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(F)cc3Br)n2CCCS(C)(=O)=O)CC1 1588780496 RDVFREDIDFKYPN-UHFFFAOYSA-N 484.395 2.037 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](c2ccsc2)N(CC)CC)CC1 1588813286 WOUFKCCIHIETKA-SFTDATJTSA-N 490.699 2.080 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cn(C)c4ccccc34)n2CC[S@@](=O)CC)CC1 1588913224 CTPRCQPIAVOTBQ-XIFFEERXSA-N 466.611 2.171 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1OCCOC 1589216119 JXFRDQDEROKDCT-WMZHIEFXSA-N 458.584 2.246 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1589515438 NNKYYENLAAYVGX-VWNXMTODSA-N 477.613 2.445 30 10 JEEE C=CCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1594798137 NXYPFDOCAOYUST-UHFFFAOYSA-N 463.586 2.154 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1595477071 QIXMSNMDQFVXOQ-IAOVAPTHSA-N 461.906 2.488 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 1595561963 JHVWDVRTIOSBJF-SFHVURJKSA-N 455.563 2.060 30 10 JEEE CC(C)(C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1596951226 FTVVSUITVUODQT-LJQANCHMSA-N 464.574 2.019 30 10 JEEE CC(C)NC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1610077958 HTAUERHIKWCCEH-HXUWFJFHSA-N 455.538 2.382 30 10 JEEE CCCC(=O)NC[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2(C(N)=O)CCOCC2)C1 1614317735 AYLKIGJOXMGBQV-HXUWFJFHSA-N 493.612 2.232 30 10 JEEE C[C@@H]1CN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CCN1C(=O)OC(C)(C)C 1615904186 CEZXAEIJJAHOEW-NQIIRXRSSA-N 459.566 2.476 30 10 JEEE N#Cc1ccc(N2C[C@@H](C(=O)N3CCC(C(=O)NCC(F)(F)F)CC3)CC2=O)cc1Cl 1625479566 ALQZNJIFHCNSHI-AWEZNQCLSA-N 456.852 2.482 30 10 JEEE COc1ccc([C@@H](CNC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)N2CCOCC2)cc1 1673901650 BJZVSDGNRUYFOH-FGZHOGPDSA-N 451.527 2.198 30 10 JEEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(C)cc1OCC(F)(F)F 1689945630 GQVXJZWQKWHINV-AWEZNQCLSA-N 459.494 2.256 30 10 JEEE C#CCN(c1nnc(CCCc2ccccc2)n1CC1(C(N)=O)CCCC1)[C@@H]1CCS(=O)(=O)C1 1689994374 WWCBLGWPPIDMGY-OAQYLSRUSA-N 483.638 2.126 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1CCOc1ccc(S(C)(=O)=O)cc1 1690023662 BJJSTXHJAZHJRU-UHFFFAOYSA-N 469.592 2.189 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCC(F)(F)F)nc1 1690047271 MUZQMGSNQCWTMW-QGZVFWFLSA-N 481.500 2.028 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@H](C2CC2)N(C)C)CC1 1690115073 QIXVCZKNGIWEEH-HXUWFJFHSA-N 468.602 2.066 30 10 JEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC(Cn2nc(C)cc2C)CC1 1690181413 XMLKVEWGBDNSNY-UHFFFAOYSA-N 455.632 2.497 30 10 JEEE C=CCN(CC=C)c1nnc(COc2ccc(Br)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1690600732 BNUPMMMLWUFTFN-HXUWFJFHSA-N 497.415 2.348 30 10 JEEE C=CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1690642551 VJKWKCLBCPZXKD-RBUKOAKNSA-N 487.649 2.368 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1690660300 DMSZAYPFZQKSNX-DENIHFKCSA-N 492.580 2.015 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](F)[C@@H](c2ccccc2)C1 1690715395 KIJLKYJQEPQYIJ-RTBURBONSA-N 484.557 2.468 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1690720751 RVOLIWKKZPROAJ-FQEVSTJZSA-N 459.616 2.155 30 10 JEEE CN(C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2nccs2)CC1)S(C)(=O)=O 1696649632 APZNHACSUKKCCG-UHFFFAOYSA-N 471.612 2.376 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1C[C@H]1CCSC1)[C@H]1CCS(=O)(=O)C1 1705559760 BAXADVMTBQVPIZ-ZBFHGGJFSA-N 498.472 2.426 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCc1ccncc1)[C@H]1CCS(=O)(=O)C1 1705563035 PLJBUCQOEJEHCV-FQEVSTJZSA-N 451.552 2.218 30 10 JEEE C#CCN(c1nnc(C2CCCC2)n1CCC(=O)NC1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1705564456 CBYZSMFWKBXOJW-HXUWFJFHSA-N 461.632 2.401 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(N2CCSCC2)CCCCC1 1705598696 OZGWIJGRYJTYKB-OAQYLSRUSA-N 489.711 2.395 30 10 JEEE C#CCN(CCOC)c1nnc(COc2ccc(Br)cc2)n1C[C@@]1(O)CCO[C@@H]1C 1705630231 LFEJOXQHLZMXDV-IERDGZPVSA-N 479.375 2.246 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2Cc2c(CC)nn(C)c2OC)CC1 1705632450 QKMXVMZGJYAROK-UHFFFAOYSA-N 490.612 2.255 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(NC(C)=O)nc2)CC1 1705636289 FCCRSHIFEONWGR-UHFFFAOYSA-N 450.934 2.150 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2Cc2ccc(C[S@@](C)=O)cc2)CC1 1705649797 FPXZTSAKEAZSGJ-PGUFJCEWSA-N 490.633 2.157 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OCC)cc1 1705674277 DQTPCRUKRMGXCI-NZQKXSOJSA-N 473.599 2.050 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CC[C@](C)(CC)O2)CC1 1705769535 VNGWWLIVSDJPCC-LQWHRVPQSA-N 453.609 2.115 30 10 JEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](O)(c2ccc(C)cc2)C1 1705830191 KSRVWPNZJDRXJC-WMZHIEFXSA-N 460.600 2.179 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC(Cn2cccn2)CC1 1705896063 APEUQPBDUPWBCG-UHFFFAOYSA-N 465.558 2.378 30 10 JEEE C=CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC(=O)N(C)C[C@H]1C 1705940142 WQSLKBJYTHKFRO-OAHLLOKOSA-N 463.007 2.448 30 10 JEEE CCOc1ccc(O[C@H](C)c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@]2(O)CCN(C)C2)cc1 1710537287 BOKSFJXKZRYPEO-MQNAVGNWSA-N 458.538 2.325 30 10 JEEE CN(C[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nccs2)C1)S(C)(=O)=O 1711149996 FQHCEAUDDOJTPR-KRWDZBQOSA-N 471.612 2.429 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3csc(C)n3)n2C[C@@H]2CC[C@H](CO)O2)c1 1722306841 GCHIVHBZODYWFP-LEWJYISDSA-N 480.594 2.230 30 10 JEEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1722322055 NCPXPHYLMQPPAF-UPVQGACJSA-N 486.661 2.330 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1cccnc1OCC)[C@@H]1CCS(=O)(=O)C1 1722364742 AFTWMNAVOVIIIW-LJQANCHMSA-N 466.567 2.117 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1nnnn1CC1CC1 1722412484 ZWMJZHSQYDEGED-SFHVURJKSA-N 469.594 2.297 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2Cc2cnn(CCOC)c2)CC1 1722441112 GXKNTLCFIUBXQO-UHFFFAOYSA-N 469.977 2.157 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2CCC[C@@H]2OC)CC1 1722443080 BRMOCBZNADXVDP-WATLYSKOSA-N 473.618 2.100 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2Cc2cccc(CS(C)(=O)=O)c2)CC1 1722444554 KQYIPMZSFYZZND-SFHVURJKSA-N 471.627 2.350 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cscc2C(F)(F)F)CC1 1722447078 DDDIDLKZZAWROS-MRXNPFEDSA-N 480.516 2.324 30 10 JEEE C=C(C)COCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCCN(CCC)C(=O)C1 1722537638 PZHUIXKWLYOMTP-UHFFFAOYSA-N 482.633 2.494 30 10 JEEE C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1722542963 CJDPFCMXIHRULH-SFHVURJKSA-N 458.998 2.283 30 10 JEEE C=C(Cl)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(S(C)(=O)=O)CC1 1722551557 BNCMXGANMSOXMO-MRXNPFEDSA-N 490.026 2.352 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CC(=O)NC(C)(C)C 1722737075 SGZNLDSFKDHYTC-SJLPKXTDSA-N 469.652 2.148 30 10 JEEE CC(=O)N1CCC[C@@H](Cn2c(CC(C)(C)C)nnc2N2CCN(c3c(C#N)c(C)nn3C)CC2)C1 1722763271 CGHQDRWIFQVOSY-HXUWFJFHSA-N 481.649 2.365 30 10 JEEE CC1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)c2cc[nH]n2)CC(C)(C)O1 1724031349 HZQVXEPWEQURGU-UHFFFAOYSA-N 478.557 2.276 30 10 JEEE C#CCN(c1nnc(-c2cc(C)nc3ccccc23)n1C[C@@H](F)COC)[C@H]1CCS(=O)(=O)C1 1740619966 RVOZRYWAYKFZLR-MSOLQXFVSA-N 471.558 2.413 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1Cc1nnc(CC)s1)[C@H]1CCS(=O)(=O)C1 1740621663 YKMPFEMSALYDMP-AWEZNQCLSA-N 478.003 2.082 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1Cc1ncccc1C)[C@H]1CCS(=O)(=O)C1 1740623792 AXNAATMMQGPJPO-SFHVURJKSA-N 456.597 2.012 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC[C@H](OCC)C1CCCC1)[C@@H]1CCS(=O)(=O)C1 1740628548 YRMGYTRBNIAQSG-NJYVYQBISA-N 464.632 2.394 30 10 JEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCN1CCCCCC1=O 1740637005 LWZIVTMPACDRKD-UHFFFAOYSA-N 481.626 2.104 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)CC1 1740702391 NKVCZJJFXGAAAL-LJQANCHMSA-N 468.577 2.025 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc4cccnc34)n2CCCC(=O)N(C)C)CC1 1740703790 FBCRRDYOCORRPI-UHFFFAOYSA-N 473.581 2.328 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2CCNC(=O)C(C)(C)C)CC1 1740707105 OWRNLGDZDMOXGD-UHFFFAOYSA-N 486.567 2.275 30 10 JEEE C#CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(CC(C)C)C(=O)C1 1740717624 XHIIQDJNDWVGJX-HXUWFJFHSA-N 455.584 2.462 30 10 JEEE C=C(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCCN(S(C)(=O)=O)CC1 1740785793 CBDGMEJHGDJZFS-KRWDZBQOSA-N 468.624 2.398 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCS(=O)(=O)CC1 1740850285 FIOWRFLAFLRWHK-KRWDZBQOSA-N 483.635 2.424 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(S(=O)(=O)CC)CC1 1740851087 QCPVUVSVZFMQBW-MRXNPFEDSA-N 458.650 2.186 30 10 JEEE C=CCCOCCn1c(Cc2ccccc2OC)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1740886806 SSRUXBUYWXIZSG-UHFFFAOYSA-N 484.601 2.044 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1740951773 NIXIECTWKPEGEG-RBUKOAKNSA-N 475.615 2.351 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCN(C(=O)OC)CC1 1740964332 NPLOZQNQBXWUFX-UHFFFAOYSA-N 483.356 2.355 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1740968087 AOGKUWRKUYVEAL-IBGZPJMESA-N 467.530 2.299 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCS(=O)(=O)N(C)C)C1 1740984952 MSNVFEIWEJRIAT-MSOLQXFVSA-N 498.650 2.023 30 10 JEEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(Cn2cncn2)CC1 1740995679 UNJNPQUKNZTLOW-UHFFFAOYSA-N 453.576 2.353 30 10 JEEE CC(C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1741292969 HXUQQGAPFBIVNP-OAQYLSRUSA-N 463.586 2.332 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc(-c2cc(F)ccc2Br)n1CCS(=O)(=O)N(C)C 1741797798 APDHQQROJAXWJY-LBPRGKRZSA-N 473.372 2.476 30 10 JEEE CC[C@H](C)N(C)CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1743875693 FBDPTZVNWZYYBG-FQEVSTJZSA-N 476.633 2.463 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2C[C@@H]2CCOC[C@H]2OC)c1 1748694929 URVVFKCCARZKSO-JTHBVZDNSA-N 474.565 2.372 30 10 JEEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(CCOC(C)C)CC1 1748745629 VRHGRZJDYDKJAB-UHFFFAOYSA-N 473.647 2.199 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CCOc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1748819040 JAYCRDWFLSTUIT-FQEVSTJZSA-N 469.542 2.109 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCN2c3ccccc3C[C@@H]2C)CC1 1748971447 PVUROJFYOXCETA-FQEVSTJZSA-N 463.630 2.403 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@]2(O)CCOC2)CC1 1748999496 YLYLMRVJZXQASD-OAQYLSRUSA-N 466.369 2.071 30 10 JEEE C=C(Br)Cn1c(Cn2ccc3ccccc32)nnc1N1CCO[C@@H](C(=O)NC)C1 1749109321 HXGAIDQKFAPUOK-QGZVFWFLSA-N 459.348 2.141 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCS(=O)CC1 1749129082 AKRBSCNTWVZEDR-QYZOEREBSA-N 495.646 2.136 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1749136411 MTEJFCVBJUYACW-WPYKKVEZSA-N 469.586 2.004 30 10 JEEE C=C(Cl)Cn1c(-c2cc(Br)cn2C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1749252712 FRJGWYWIZPGTKL-AWEZNQCLSA-N 482.770 2.271 30 10 JEEE C=CC1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@]2(O)CCN(C)C2)CC1 1749342680 LSXCYXQVQVPQAZ-NTKDMRAZSA-N 476.622 2.056 30 10 JEEE C=CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CC)CCS(C)(=O)=O 1749430995 VWKDGZYKEWECBI-QGZVFWFLSA-N 471.624 2.424 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@]1(O)CCN(C)C1 1749536376 JCKLJFOOZGMHTR-WRALFONMSA-N 466.586 2.133 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N(C)C1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 1749650342 SYKITQOCATXNOI-JWTNVVGKSA-N 489.621 2.085 30 10 JEEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1760129572 RPYVOXDSWYWGBJ-UHFFFAOYSA-N 453.547 2.013 30 10 JEEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(C)cc1F)[C@@H]1CCS(=O)(=O)C1 1760180512 GPSATKPQWCNKJC-AUSIDOKSSA-N 476.574 2.053 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1Cc1ccc(C)cc1C)[C@H]1CCS(=O)(=O)C1 1760183520 QMZYKSJXHNESPC-NRFANRHFSA-N 471.627 2.488 30 10 JEEE C#CCN(c1nnc([C@@H]2COc3ccccc3O2)n1CCN(CC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1760187011 SITFATZDETZEKJ-KNQAVFIVSA-N 487.626 2.148 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H](c1cccc(F)c1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1760192075 DNITZZPNMRTOLR-NJDAHSKKSA-N 475.590 2.198 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2CC(C)(C)C(=O)NCC)CC1 1760268263 OTWVPSCNDDRFOV-UHFFFAOYSA-N 450.587 2.382 30 10 JEEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC(C)(C)OC(C)(C)C1 1760515468 OWFTZGMEXLOQHS-UHFFFAOYSA-N 489.646 2.243 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1760551872 VDSIYCXGLCZSOR-LJQANCHMSA-N 476.990 2.301 30 10 JEEE CC(=O)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CC(F)(F)CO2)CC1 1760600898 IUNXYLGSRJTIFH-LJQANCHMSA-N 460.485 2.212 30 10 JEEE CCN(CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)OC)CC1)C(C)C 1766910248 BXDGTWLPVGSWTH-UHFFFAOYSA-N 455.563 2.347 30 10 JEEE C=CCN(CC=C)C(=O)[C@H]1CCCN1C(=O)[C@H]1CC(=O)N(c2ccc(C(=O)OCC)cc2)C1 1862178917 CFZQPVVPYBIVFT-PZJWPPBQSA-N 453.539 2.408 30 10 JEEE COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CCN2CCOCC2)ccc1O 1862630173 NZQGQHUETFRWEB-QFIPXVFZSA-N 482.489 2.040 30 10 JEEE COc1cccc(C(=O)C2=C(O)C(=O)N(C[C@@H](C)O)[C@H]2c2cc3c(cc2[N+](=O)[O-])OCCO3)c1 1862708886 HGCFLJNNQCPOBH-ODXCJYRJSA-N 470.434 2.334 30 10 JEEE C=CCOc1ccccc1[C@@H]1C(C(=O)N(CCN)C(C)=O)=C(N)Oc2c1c(CC)nn2CCC 1865229620 NYUFKZJYLAJIGW-FQEVSTJZSA-N 467.570 2.449 30 10 JEEE C=CCN(CC=C)C(=O)[C@@H](Cc1ccc(OC(C)=O)cc1)NC(=O)CC[C@@H]1CCS(=O)(=O)C1 1868813082 BXIDWKYMEBOVOU-IFMALSPDSA-N 476.595 2.055 30 10 JEEE COc1ccc(-c2ccc(=O)n(CC(=O)N3CCC(N(C)c4cc(C#N)ccn4)CC3)n2)cc1OC 1891477967 BHYCOEKCSFRLDH-UHFFFAOYSA-N 488.548 2.322 30 10 JEEE CC(C)(C)OC(=O)NC1CC(O)(CNC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)C1 2060140457 JEQWVPQBZHJRKS-BXFSZVDSSA-N 454.568 2.498 30 10 JEEE CC(C)(C)OC(=O)N1O[C@@H]2CCC[C@H]2[C@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2180983007 ACOYGUBJFJMOQM-OAGGEKHMSA-N 460.340 2.434 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCOC[C@@H]1CC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2180985634 RRQCYHFEUFMEPO-HOCLYGCPSA-N 462.356 2.034 30 10 JEEE CC(C)(C)OC(=O)NC1CC(O)(CNC(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2255535373 UQMKHGJKZFIIQI-UHFFFAOYSA-N 452.382 2.195 30 10 JEEE CCc1nc(C(=O)N[C@H]2CON(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2255652485 VJSZMHNBKCWGDS-GFCCVEGCSA-N 453.370 2.285 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CNC(=O)c2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2255808595 LVRZBILGKTUUER-HIFRSBDPSA-N 452.382 2.005 30 10 JEEE CC(C)(C)OC(=O)N[C@@]12C[C@@H]1CN(S(=O)(=O)c1cc(B3OC(C)(C)C(C)(C)O3)cs1)C2 2255948398 LORKHNGJAQLVNG-ZUOKHONESA-N 470.422 2.335 30 10 JEEE CC1(C)OB(c2cncnc2C(=O)N2CCC[C@@H](NC(=O)OCc3ccccc3)C2)OC1(C)C 2264009637 JGYDHPDUJYLBET-GOSISDBHSA-N 466.347 2.307 30 10 JEEE Cc1sc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2O)cc1B1OC(C)(C)C(C)(C)O1 2267122883 PTOAVHYOLGJOLL-HZPDHXFCSA-N 466.409 2.456 30 10 JEEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N(CCC(F)(F)F)Cc1ccccc1 2267356034 KGGONAURWJVVQB-UHFFFAOYSA-N 474.314 2.258 30 10 JEEE C=C(CS(=O)(=O)N1CCC[C@H](N(CCO)C(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2267464142 MGZDZBQESSXZMT-KRWDZBQOSA-N 474.429 2.198 30 10 JEEE C[C@H]1[C@H](NC(=O)OC(C)(C)C)CCN1S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2267473523 HDRLTBBHBWHDMM-UONOGXRCSA-N 487.453 2.260 30 10 JEEE Cn1nc(C(=O)NC[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2267499310 RIGXAQJLWGLZAA-BETUJISGSA-N 468.791 2.406 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CC1(F)F 2267523718 GISYIYXRFUIXRW-CYBMUJFWSA-N 456.299 2.083 30 10 JEEE CC(C)(C)OC(=O)NCC1CN(S(=O)(=O)c2ccc(F)c(B3OC(C)(C)C(C)(C)O3)c2)C1 2267709712 GVCSIZSOSKCMST-UHFFFAOYSA-N 470.372 2.270 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@](C)(C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)C1 2268654572 BCNZPYFRXWGGRH-NRFANRHFSA-N 467.397 2.085 30 10 JEEE CCc1nn(C)c(C(=O)N2CCC(NC(=O)OC(C)(C)C)CC2)c1B1OC(C)(C)C(C)(C)O1 2281990600 PEJSWEADBCKULG-UHFFFAOYSA-N 462.400 2.411 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C 2282001202 YATHHDTXEWUQKD-CVEARBPZSA-N 462.400 2.451 30 10 JEEE CC(C)(C)OC(=O)NCCN1CCC(NC(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)CC1 2282201710 VBQRORIVXHSRGM-UHFFFAOYSA-N 463.384 2.298 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CNC(=O)c2c(F)cccc2B2OC(C)(C)C(C)(C)O2)C1 2282465030 FBFWXEXLUWIHIW-PBHICJAKSA-N 464.343 2.083 30 10 JEEE Cn1cc(C(=O)N2CCC[C@@]23CCN(C(=O)OC(C)(C)C)C3)nc1B1OC(C)(C)C(C)(C)O1 2282551453 JPJWNRWLFIASHL-QHCPKHFHSA-N 460.384 2.335 30 10 JEEE C[C@H]1CN(Cc2ccccc2)C[C@H](C)C1NC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2282620341 DGWDOOFUTRINSZ-IRXDYDNUSA-N 453.396 2.001 30 10 JEEE Cn1nc(C(=O)N[C@@H]2[C@@H]3CCCCN(C(=O)OC(C)(C)C)[C@@H]32)cc1B1OC(C)(C)C(C)(C)O1 2282627285 HGXCYAKJJBJWCT-QGTPRVQTSA-N 460.384 2.237 30 10 JEEE CN(Cc1ccccc1B1OC(C)(C)C(C)(C)O1)C(=O)[C@H]1COC[C@@H]1NC(=O)OC(C)(C)C 2284026007 AIZIWSOVGYQDLW-HKUYNNGSSA-N 460.380 2.484 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1NC(=O)C1(NC(=O)OC(C)(C)C)CC(O)C1 2284050515 YRCHPQZXKBTBPN-UHFFFAOYSA-N 462.352 2.351 30 10 JEEE Cn1cnc(C(=O)N2C[C@H](C(N)=O)[C@@H](C3CCN(c4ccc(C#N)c(C(F)(F)F)c4)CC3)C2)c1 2297650651 QIVRWYBAVSJTNG-MSOLQXFVSA-N 474.487 2.401 30 10 JEEE CC(C)(C)OC(=O)N1CC(OCCNC(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2315567616 ZFVHCPPKFMQJPR-UHFFFAOYSA-N 452.382 2.413 30 10 JEEE CN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2319391572 RXUGQNSQVVBAGS-GBXCKJPGSA-N 461.628 2.324 30 10 JEEE COc1cc(OC)c(OC)cc1C=Nn1c(Cc2ccccc2F)nnc1SCC(N)=O 2329727326 FPWLXCDEQNKERV-UHFFFAOYSA-N 459.503 2.493 30 10 JEEE COc1ccc(O)c(/C=N/Nc2nc(SCC(=O)NCc3cccc(OC)c3OC)n[nH]2)c1 58997750 RVBIQUWFPDVJJZ-FOKLQQMPSA-N 472.527 2.391 30 10 JEEE COc1ccccc1[C@@H]1c2c(nc(NCc3ccc4c(c3)OCCO4)[nH]c2=O)NC(=O)[C@@H]1C#N 72472414 SSKYCVIDFXHJDR-BEFAXECRSA-N 459.462 2.386 30 10 JEEE Cc1ccc(S(=O)(=O)OCCOCCOCCOCCOS(=O)(=O)c2ccccc2)cc1 107277743 QSTCSYPCAHKUNJ-UHFFFAOYSA-N 488.580 2.156 30 10 JEEE NC(=S)N1N=C(c2ccccc2)C(=NNc2ccc3ccccc3c2S(=O)(=O)O)C1=O 252460599 GPTMARWWOMJWAZ-UHFFFAOYSA-N 453.505 2.345 30 10 JEEE COCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1-c1ccc(C#N)c(Cl)c1 523257616 COPLQFKEVFJKNA-UHFFFAOYSA-N 478.961 2.080 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)[C@H](C)OC(=O)c3ccc(-n4nnnc4C)cc3OC)cc21 586271226 IZDPAWXPXYSNHN-AWEZNQCLSA-N 477.477 2.319 30 10 JEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2c(Cl)cccc2Cl)c(=O)n1C[C@@H]1CCCO1 603798871 PHTFBEDILRQHJO-ZDUSSCGKSA-N 464.374 2.201 30 10 JEEE C#CCN(C(=O)c1cccc(S(=O)(=O)Oc2ccccc2OCC)c1)[C@@H]1CCS(=O)(=O)C1 729330725 IFQFJAMEZJKJTL-GOSISDBHSA-N 477.560 2.116 30 10 JEEE COc1cccc(NC(=O)C(C#N)=c2sc(=Cc3cnn4ccccc34)c(=O)n2C2CC2)c1 729668991 HGZUOBPZUCBZIB-UHFFFAOYSA-N 457.515 2.043 30 10 JEEE CC#CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1C[C@H](O)C[C@@H]1C(=O)O 757205768 BATMYCMNSMMZIS-ZGNKEGEESA-N 462.502 2.354 30 10 JEEE CCCSc1nnc(NC(=O)CSc2n[nH]c(NN=Cc3c(C)nn(CCO)c3C)n2)s1 1084018195 LNTPZZOKERBIHM-UHFFFAOYSA-N 496.648 2.141 30 10 JEEE C[C@H](CC(=O)NC[C@@H]1CN(Cc2ccccc2)C[C@@H]1C)/N=C1/NS(=O)(=O)c2ccccc21 1151209162 CNYAONHMZUMDFU-NLWGTHIKSA-N 454.596 2.388 30 10 JEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1286322538 GALSHEWZGQXERK-AWEZNQCLSA-N 468.505 2.355 30 10 JEEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1286338836 QOHQURSKIDIRRK-FQEVSTJZSA-N 471.005 2.433 30 10 JEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1C[C@@](C)(O)C1CC1)[C@H]1CCS(=O)(=O)C1 1286391937 FZRRBIOIBAXPGT-SIKLNZKXSA-N 463.003 2.310 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CCN1CCCC[C@@H]1CC)[C@@H]1CCS(=O)(=O)C1 1286393175 PEVDMWDBZORHGI-FCHUYYIVSA-N 470.643 2.155 30 10 JEEE C#CCN(c1nnc(CCOc2ccccc2)n1Cc1ccc(C#N)o1)[C@H]1CCS(=O)(=O)C1 1286394127 UUFMEPLIDRNUJW-SFHVURJKSA-N 465.535 2.039 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H](C)N2CCc3ccccc3C2)CC1 1286470141 TYVSWHJQOWYMKA-OAQYLSRUSA-N 477.657 2.399 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1286549049 VZTHVEIEXIWKQO-YVSFHVDLSA-N 495.568 2.417 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1286555763 LJXXPIXOJHOBBH-XWSJACJDSA-N 495.646 2.265 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC2CCCC2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1286563105 IPBJAQYORXMWLC-IRLDBZIGSA-N 472.634 2.165 30 10 JEEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 1286585611 KXTYKWZCPRUCFG-IAGOWNOFSA-N 461.592 2.023 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(N(C)C)c(F)c2)CC1 1286645289 AUEXMXSNEJMYOU-FQEVSTJZSA-N 478.594 2.021 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCCN(CC(F)(F)F)CC1 1286819170 CDBYGYITASBLIF-UHFFFAOYSA-N 472.537 2.324 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCO[C@H](c2nccs2)C1 1286819695 SPKQLSSQCWUKDT-KRWDZBQOSA-N 460.585 2.284 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](c2ccccc2F)C1 1286822914 JBGPUMMOEPOKCF-NRFANRHFSA-N 488.589 2.458 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1288124353 CCDWCJLYVPPQFX-SQJMNOBHSA-N 465.602 2.447 30 10 JEEE Cc1ccc(SCCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@H](C)CC#N)cc1 1289883184 CNILRHWHLMJCIZ-IEBWSBKVSA-N 478.644 2.450 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CC(O)(CC)CC)c1 1300331471 LNRFXOWRKQERJS-UHFFFAOYSA-N 452.559 2.121 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](C)c1ncc(C)s1)[C@H]1CCS(=O)(=O)C1 1300479636 QTSSNCHIZNETRW-WBVHZDCISA-N 499.622 2.121 30 10 JEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1Cc1cccc(C(C)(C)O)c1 1300664193 PJULYVCEPUKEQJ-UHFFFAOYSA-N 451.527 2.368 30 10 JEEE COc1ccncc1Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](OC)[C@H](OC)C1 1300694517 AGOVZHADYJVTJY-OYRHEFFESA-N 450.499 2.031 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CCOc2ccc(OC)cc2)CC1 1300727122 WISCKTMVMOTKBF-UHFFFAOYSA-N 474.565 2.317 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2cnn(C)c2C)CC1 1300732847 QDWPSONXIITTOX-NHCUHLMSSA-N 467.618 2.253 30 10 JEEE C#CCSCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@H](CC(N)=O)C1 1300741310 SCONUXOCDCMHMC-QGZVFWFLSA-N 489.671 2.005 30 10 JEEE C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2cc(OC)cc(OC)c2)CC1 1300925818 DUWIDMRWOMAWIS-UHFFFAOYSA-N 454.575 2.430 30 10 JEEE C=CCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1301445552 CIXQHNCVVJCRAV-UHFFFAOYSA-N 475.391 2.303 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1301586247 RDZNKFVANWOGKC-UHFFFAOYSA-N 460.560 2.381 30 10 JEEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1301594463 CZYLBWQUPUZCBB-MSOLQXFVSA-N 457.604 2.002 30 10 JEEE CCN1CCN(C[C@@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1313955062 DZFCGDBXJVLXAP-CJFMBICVSA-N 480.592 2.444 30 10 JEEE CO[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2cnn(C)c2)CC1)C(C)C 1315227384 HUORLEHDJDZCIY-QFIPXVFZSA-N 464.574 2.460 30 10 JEEE CS(=O)(=O)CCN(c1nnc(COc2ccc(C#N)cc2)n1Cc1nccs1)C1CC1 1316346262 CKXGMPREVDODQQ-UHFFFAOYSA-N 458.569 2.247 30 10 JEEE C#CCN(C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1358941539 NWOSXGOSZUQLCK-UTKZUKDTSA-N 473.599 2.236 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@@]1(N(C)C)CCSC1)[C@@H]1CCS(=O)(=O)C1 1358959923 SEXOPEZDWLENCI-XXBNENTESA-N 489.667 2.018 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(C(F)(F)F)cc1C 1358969374 NULINWKNSXDZIE-OAHLLOKOSA-N 453.490 2.337 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCN(CC)C1 1359025086 CJUZJUKEEOYXMW-PMACEKPBSA-N 476.622 2.014 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1C[C@@H](C)CN1CCN(CC)CC1 1359064902 CHTVAYOJVKHOAR-GPUOULLFSA-N 458.651 2.196 30 10 JEEE C=C(Br)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H](OCCOC)C1 1359087177 WTPLUDSTWFVVBM-AWEZNQCLSA-N 470.393 2.420 30 10 JEEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCn2nc(C)nc2C1 1359209848 BJZYNWCRMVTJKZ-UHFFFAOYSA-N 456.576 2.082 30 10 JEEE C=CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(CC(=O)NC(C)C)CC1 1359214114 RUKCOTNOUUBUCN-UHFFFAOYSA-N 492.628 2.288 30 10 JEEE C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)c2cc(C)n(-c3ccc(C)c(F)c3)c2C)c1=O 1458863918 XFXLHOLBVHFXRG-UHFFFAOYSA-N 452.486 2.282 30 10 JEEE CCn1nc(-c2nnc(N(C)[C@H](C)CC#N)n2C[C@@H]2CCCS(=O)(=O)C2)c2ccccc2c1=O 1502360017 HRLZWKDPZOKJEG-SJORKVTESA-N 483.598 2.238 30 10 JEEE COC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1)OC 1504578113 AJFAHECKQJSYTD-SFHVURJKSA-N 480.491 2.373 30 10 JEEE C#CCCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1507556060 YCRZEVPGDCHGOQ-SFHVURJKSA-N 492.671 2.364 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1CCCCc1nc(C)cs1)[C@H]1CCS(=O)(=O)C1 1507633460 SOMHWHBBVWISPY-ROUUACIJSA-N 463.629 2.197 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1CC1(O)CCCCCC1)[C@H]1CCS(=O)(=O)C1 1507633973 HMMSAHSCFIYBEF-IBGZPJMESA-N 477.656 2.346 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2CCCOC(F)F)CC1 1507718624 RXELZXLAQCVDSE-UHFFFAOYSA-N 457.323 2.431 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(NC(N)=O)cc2)CC1 1507721441 OZUMFNOOLAOKFR-UHFFFAOYSA-N 450.934 2.288 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccccc2OC(C)C)CC1 1507734037 PUQLIQRSXNIMIS-UHFFFAOYSA-N 466.586 2.218 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2cc(C(C)(C)C)no2)CC1 1507735804 HNCSYKAYZJNEQL-QGZVFWFLSA-N 472.590 2.302 30 10 JEEE C=C(Br)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCC(=O)NC 1507784963 KWISDFSYNAZQKY-AWEZNQCLSA-N 487.399 2.067 30 10 JEEE C=C(Br)Cn1c(COc2ccc(F)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1507791264 VXIXUSWEQPNLAS-MRXNPFEDSA-N 493.337 2.378 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1508071985 AJDIUFZBMYBLHK-FUHWJXTLSA-N 474.993 2.268 30 10 JEEE COc1ccc(O[C@H](C)Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)cc1 1518308664 BQDLOGMENYVHPV-WHSLLNHNSA-N 463.535 2.098 30 10 JEEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1539145082 DBHPJQWUMXCKNS-UHFFFAOYSA-N 497.987 2.186 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@]2(C)CCCS2)CC1 1539434218 DETBMAYKJQUXAY-JOCHJYFZSA-N 459.641 2.390 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(C)C(=O)C1 1539619742 HKWGMKDZHXLFMR-IERDGZPVSA-N 471.558 2.231 30 10 JEEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2ccc(OCC)cc2)CC1 1539684777 GGJUUJGZUGGTKQ-SFHVURJKSA-N 462.620 2.185 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCCS(=O)(=O)C1 1540122123 PRFXMMUQADGQHU-UXHICEINSA-N 468.583 2.118 30 10 JEEE C=CCn1c(-c2cc(OC)ccc2Br)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1540854938 OSVFVZXRPJTCLJ-MLGOLLRUSA-N 451.321 2.262 30 10 JEEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](c2cccc(OC)c2)C1 1540874343 CTEYRRZUFJJLHY-IBGZPJMESA-N 496.593 2.158 30 10 JEEE C=CCNC(=O)Cn1c(N2CCN(c3ccc(C)cc3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1540876006 FGHVEESNZYJCDA-RUZDIDTESA-N 468.602 2.256 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@H]2CC=CCO2)C1 1540885263 FDYQXDSSYKBIID-WOJBJXKFSA-N 473.599 2.322 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCC2(CC1)COC(=O)N2 1540899441 OWYRBBGQNRMWIN-UHFFFAOYSA-N 465.963 2.278 30 10 JEEE COCCN(CCC#N)C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 1565566045 GIXYGJKLFQLBLI-HNNXBMFYSA-N 458.378 2.238 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1nc(C)cs1 1588138743 IJXWKFGEYXPLLJ-QGZVFWFLSA-N 456.572 2.473 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](c2ccsc2)N(CC)CC)CC1 1588806116 HDHLDPZYNCBPRE-VQTJNVASSA-N 455.632 2.129 30 10 JEEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1589036254 ASOFVCQLTZEYMV-QFIPXVFZSA-N 457.556 2.360 30 10 JEEE C#CCSCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1589110241 RTLCRRJEBGISQM-UHFFFAOYSA-N 498.653 2.014 30 10 JEEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 1594857101 IPYDRHWTGMXSPV-HNNXBMFYSA-N 454.597 2.078 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC(C(=O)NCc2ccc(C)cc2)CC1 1595545221 RVQQZXYBCSCIIZ-QFIPXVFZSA-N 480.613 2.316 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(c2ccc(C(C)=O)cc2F)CC1 1595831547 RYRJPDPSTYTUFR-OAQYLSRUSA-N 491.589 2.399 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H]2CCSC3(CC(C(=O)OC)C3)C2)ccc1F 1603492964 MHBHEMHNFLQLBS-CHWWFWEZSA-N 456.561 2.237 30 10 JEEE C=CCn1c(S)nc2cc(C(=O)NC[C@H](CO)Cc3ccc(OC)c(O)c3)ccc2c1=O 1611036802 VCVVYICBHDCJGK-OAHLLOKOSA-N 455.536 2.166 30 10 JEEE C[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(C#N)C1)c1nccs1 1611583381 GDNSLKJIXNDSTL-GUXCAODWSA-N 479.632 2.001 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@H](c1ccco1)N(C)C 1611662912 ANIMFONUIDRDKP-QFBILLFUSA-N 471.587 2.292 30 10 JEEE CCCNC(=O)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N(C)[C@H](C)CC#N 1614979088 BBXGKFCIJSIGFB-MRXNPFEDSA-N 450.547 2.330 30 10 JEEE COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(N(C)C)nc2)CCO1 1619753564 CPAATFLKCCCPEK-OAQYLSRUSA-N 463.542 2.090 30 10 JEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)c1 1639953491 ARBRZXLZBVHIHP-OAQYLSRUSA-N 456.955 2.274 30 10 JEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@@H]3CCC[C@@H]([S@](C)=O)C3)nnc12 1651144021 ULAKICHAAKLWDN-LELMWSPKSA-N 459.597 2.128 30 10 JEEE C=CCNC(=O)c1ccc(NC(=O)NCc2ccc(CS(=O)(=O)CC(=O)OC)cc2)cc1 1668210293 NZTCWSOHNUKKII-UHFFFAOYSA-N 459.524 2.012 30 10 JEEE C#CCCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(NC(=O)COC)CC1 1689883140 YXOBPQRRTHNTBM-UHFFFAOYSA-N 453.543 2.251 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1CC1(CN2CCOCC2)CCCCC1)[C@H]1CCS(=O)(=O)C1 1689980766 XCCVCUAVODAONQ-NRFANRHFSA-N 491.702 2.485 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@]1(O)CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1689993730 KLBVVKIIEXAPQG-XZDHIHRUSA-N 456.612 2.241 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1Cc1ccc(OC)c(F)c1)[C@H]1CCS(=O)(=O)C1 1689994488 ZFPRULXOASWQHK-SFHVURJKSA-N 489.598 2.457 30 10 JEEE C#CCN(CCOC)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@H]1CCCS(=O)(=O)C1 1690093510 AVJXKBSJCMOZOC-ROUUACIJSA-N 464.563 2.468 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCN2CCOC[C@H]2C)CC1 1690152536 ONHLGLIEWWGKBF-JOCHJYFZSA-N 494.640 2.160 30 10 JEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCN(C)Cc2ccc(F)cc2)CC1 1690364705 VVYCZQKWTOJWAQ-QGZVFWFLSA-N 450.584 2.316 30 10 JEEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)Cc2ccccc2C)CC1 1690507163 FRNVZXQRYBKLNJ-OAQYLSRUSA-N 466.586 2.022 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 1690668974 PCABNAFHZWOLRW-MAUKXSAKSA-N 455.563 2.300 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC2(O)CCOCC2)C1 1690684871 QCSHPLPFHUEHPI-LJQANCHMSA-N 475.977 2.184 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CC(=O)NCC(F)(F)F)C1 1690692460 YPYCVPJUYRXWSN-CQSZACIVSA-N 453.421 2.134 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1690723232 LPPXFJXHZCTBSO-CALCHBBNSA-N 451.593 2.059 30 10 JEEE CC(C)(C)c1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCC(=O)N2CCOCC2)cc1 1691045308 BHFPXQRHWGCWFV-NRFANRHFSA-N 482.585 2.132 30 10 JEEE CC[C@@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC1(C(N)=O)CCCC1 1694125046 CQDIANLYMGSPOY-IAGOWNOFSA-N 451.579 2.214 30 10 JEEE CCN(CC)C(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1695587035 CFNYNVFEDKPZML-HXUWFJFHSA-N 472.615 2.479 30 10 JEEE COc1ccc(OC)c(CCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@H](C)C#N)c1 1697473278 DWCVBFNTMWXQFB-AEFFLSMTSA-N 461.588 2.426 30 10 JEEE COC[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCS(=O)(=O)C2)C1 1697879300 AYPMKLACQZSKMJ-MOPGFXCFSA-N 459.572 2.026 30 10 JEEE C#CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1705533652 YWAWXQFGHKVKOE-OALUTQOASA-N 499.616 2.279 30 10 JEEE C#CCN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1CC[C@@H](C(F)F)N1CCOCC1 1705611481 FOMACDWGZALGTN-SFHVURJKSA-N 471.512 2.409 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCOCC(F)F)CC1 1705647954 MPCPQSUAZHSSDK-IBGZPJMESA-N 475.496 2.038 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(NC(=O)CCC)CC1 1705792464 UIHNSWWWSLUBKW-IBGZPJMESA-N 496.678 2.098 30 10 JEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(SC)cc1 1705843568 IREVMWJFWLXCKX-GOSISDBHSA-N 451.618 2.198 30 10 JEEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](C)CN1CCN(CC)CC1 1705843937 RKZUDPRTEMBJOY-RTWAWAEBSA-N 491.681 2.482 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@H]1COCCO1 1705865112 RBBFLPPEQPXVGU-OALUTQOASA-N 464.563 2.317 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1705903152 NCLYOTLYHBHDRM-HNAYVOBHSA-N 462.957 2.197 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(Cc2csc(CC)n2)CC1 1705936828 ZGMVYCNTZZDKEV-GOSISDBHSA-N 494.687 2.114 30 10 JEEE CCN1CCN(C[C@@H](C)Cn2c(-c3nn(C)c(=O)c4ccccc34)nnc2N(C)C[C@H](C)C#N)CC1 1710295444 HWBSQKPHWIZNPP-WOJBJXKFSA-N 491.644 2.061 30 10 JEEE C#CCCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1722315297 UPYFITRYMZELEF-UHFFFAOYSA-N 475.601 2.381 30 10 JEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 1722317966 ZEWVZFOCJBSEMN-IRXDYDNUSA-N 462.576 2.068 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H](C)CN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1722360412 HBMQTLLWWAGKBL-TZIWHRDSSA-N 456.616 2.089 30 10 JEEE C#CCN(c1nnc(-c2ccc(OCC)c(OC)c2)n1Cc1cc(C)nn1C)[C@H]1CCS(=O)(=O)C1 1722360787 CCIVHPOHJJWYPE-IBGZPJMESA-N 498.609 2.069 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H](CCC)OC)[C@H]1CCS(=O)(=O)C1 1722363831 VYWVMQFVXHODIV-OALUTQOASA-N 474.583 2.158 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCNC(=O)OC(C)(C)C 1722374871 GDFNWAHSAZVISO-UHFFFAOYSA-N 471.583 2.336 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CC[C@H](F)C1 1722420140 GILRXXFDCMHLCA-HKUYNNGSSA-N 463.579 2.420 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(F)cc3Br)n2CCOCCOC)CC1 1722435517 JPOOQBPKYHPBCT-UHFFFAOYSA-N 466.355 2.265 30 10 JEEE C#CCSCCn1c(N2CCO[C@]3(CCO[C@H]3C)C2)nnc1[C@]1(OC(C)C)CCOC1 1722464426 GCQITSMMFXCQRG-BWAGFHJFSA-N 450.605 2.069 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CCOC)[C@@H](CC)C1 1722490807 DJMAZWBFONPVKC-URVUXULASA-N 483.617 2.454 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccccc2CC)nnc1N1CCN(S(C)(=O)=O)CC1 1722498783 DWKRWDZTIIJVDO-NZQKXSOJSA-N 489.642 2.482 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@H](CNC(C)=O)C1 1722511335 YCYZGWSTXHMDQO-PNCHPQGNSA-N 475.540 2.470 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1N1CCOCC1 1722671821 CSBKUUYAJTUSFL-FQEVSTJZSA-N 457.600 2.244 30 10 JEEE C=CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1722684497 XJUJJUSXGYFKNP-UHFFFAOYSA-N 478.962 2.433 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2c(F)cccc2F)C1 1722717358 ADLSYNASCFSHNB-JKSUJKDBSA-N 452.527 2.482 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2nnc(C(C)(C)C)s2)C1 1722719665 YLOPWGSUZVEKDK-CABCVRRESA-N 466.633 2.159 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1722728016 MSARCIZQZSXRIW-UHFFFAOYSA-N 457.604 2.061 30 10 JEEE CCO[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2Cc2ccc(C[S@@](C)=O)cc2)CCOC1 1728794107 FSBWUXQHTODVKO-VOSQCMCKSA-N 461.563 2.299 30 10 JEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2csc(C(C)(C)C)n2)CC1 1740581040 NRAHTIQROWYLJB-KRWDZBQOSA-N 493.703 2.378 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Cl)n1CC(=O)NCc1ccco1)[C@@H]1CCS(=O)(=O)C1 1740619299 HIRYJYUVLRBXMS-MRXNPFEDSA-N 487.969 2.135 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccc(OCC(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 1740622621 ZUXJXBJXAIXDQA-OAQYLSRUSA-N 482.610 2.388 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1c(Cl)cccc1OC)[C@H]1CCS(=O)(=O)C1 1740628055 MWEXDTXNIOTAMU-HNAYVOBHSA-N 464.975 2.467 30 10 JEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CSCCS1 1740631349 ARHPEGWUGWXITC-QGZVFWFLSA-N 474.681 2.468 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2Cc2cccc(C(=O)NCC)c2)CC1 1740706326 SCLOHYUNAVQASX-JOCHJYFZSA-N 478.597 2.284 30 10 JEEE C=CC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCN(C(C)=O)CC2)CC1 1740840949 DMIAJICXOSYOFQ-UHFFFAOYSA-N 463.586 2.295 30 10 JEEE C=CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1740879615 KRUYXYOAZBMMFX-OAQYLSRUSA-N 463.542 2.462 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@@H]1COCCO1 1740923756 UUEFNSZGSFMSRN-DLBZAZTESA-N 452.602 2.240 30 10 JEEE C=CCn1c(N2CCC(C(=O)N3CCOCC3)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740950035 IXGPZRIBVUEQPJ-KDURUIRLSA-N 474.606 2.310 30 10 JEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(C(=O)Nc2ccc(C)cn2)CC1 1740963264 FTDRGHKDDSQAIC-UHFFFAOYSA-N 491.600 2.000 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1740988849 RHAXAYLWXHUUGJ-SUMWQHHRSA-N 488.488 2.431 30 10 JEEE C[C@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1CC1CN(C(=O)OC(C)(C)C)C1 1743196624 DLABNWNYPFVSKN-INIZCTEOSA-N 465.558 2.351 30 10 JEEE CCCNC(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)N2CCOCC2)C1 1745769148 DEJZCWMQLPNGIC-UNMCSNQZSA-N 495.628 2.192 30 10 JEEE CCS(=O)(=O)N(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](COC)C1 1747425396 GNPJFRSIVRUBEX-LJQANCHMSA-N 460.604 2.351 30 10 JEEE COc1cc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)c2ccccc2n1 1748537122 HLOHTHNSRMMYDA-OAHLLOKOSA-N 469.571 2.233 30 10 JEEE C#CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@@H](CNC(C)=O)C1 1748713007 NHNAIHGKJLZCSR-IBGZPJMESA-N 461.570 2.348 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@](C)(O)CCC)[C@H]1CCS(=O)(=O)C1 1748808887 HXJRPPWDUQCFEW-MBSDFSHPSA-N 476.599 2.140 30 10 JEEE C#CCN(c1nnc(-c2ccc(Br)s2)n1CCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1748809116 QHJUVEFFGBHVSX-HNNXBMFYSA-N 498.472 2.492 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1CC1CCN(C(=O)OC)CC1)[C@@H]1CCS(=O)(=O)C1 1748821006 LFENIBFSJMDFML-JOCHJYFZSA-N 499.637 2.168 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@](C)(O)CCC)CC1 1749003756 UVMQBTFTOUKRPJ-QHCPKHFHSA-N 454.531 2.370 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccnc(SC)c2)CC1 1749003782 VUXHZLPREQSBHN-RUZDIDTESA-N 498.653 2.450 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[S@@](=O)C(C)(C)C)CC1 1749018614 AZWQWXYFZIBXGW-PGUFJCEWSA-N 496.637 2.242 30 10 JEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCc2cc(OC)c(OC)cc2CC1 1749020034 IZXCKDDYONOIGJ-UHFFFAOYSA-N 457.600 2.405 30 10 JEEE C#CCSCCn1c(CSc2ccccc2OC)nnc1N1CCS(=O)(=O)CC1 1749048820 WIVLINMKRVINNS-UHFFFAOYSA-N 452.627 2.180 30 10 JEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 1749456992 CULGHGJGQDPRHK-RTBURBONSA-N 481.663 2.152 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1749650632 CZYHGFKDMQJNOL-GOSISDBHSA-N 490.543 2.453 30 10 JEEE C=CCNC(=O)Cn1c(-c2sc3ccccc3c2Cl)nnc1N1CCN(C(=O)COC)CC1 1749651914 BNIQRNALBQNYBO-UHFFFAOYSA-N 489.001 2.410 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(C(=O)Nc2ccc(C)cn2)CC1 1749670879 WGTDYXPFHQCOGV-LJQANCHMSA-N 467.574 2.033 30 10 JEEE C=CCSCCn1c([C@H]2CCCO2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1749767171 SQWUWNHWUKVDIC-LEWJYISDSA-N 464.680 2.280 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC(C)(C)N1CCOCC1 1760110878 HYSSTMHSDNBMEQ-SFHVURJKSA-N 463.586 2.244 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCS(=O)(=O)C(C)(C)C 1760115761 BMSPEYHFXVVRHX-IAGOWNOFSA-N 483.635 2.258 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCn1ccc2ccccc21 1760118075 XRVPKXVMIOLYOQ-RXVVDRJESA-N 470.599 2.114 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(NC(=O)NC(C)C)cc1 1760233389 MECFPHKMRJKBRA-GOSISDBHSA-N 458.588 2.218 30 10 JEEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCNC(=O)c1cccs1 1760233617 MWAKXUBSASHNLT-UHFFFAOYSA-N 464.599 2.403 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCC(=O)N1CCCCC1 1760245965 PGZXWNOCVIETTR-UHFFFAOYSA-N 453.543 2.205 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(OCCCN(C)C)cc2)CC1 1760259770 PXLQZWFRMIOSRA-HSZRJFAPSA-N 466.630 2.306 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CCCN2CCCCC2=O)CC1 1760266702 JGOCCRRGMIPXFU-UHFFFAOYSA-N 452.559 2.215 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1CC[C@H](C(F)F)N1CCOCC1 1760288058 ONMRJBWDYUPGON-UZUQRXQVSA-N 473.528 2.274 30 10 JEEE C=CCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCN(C(=O)OC)CC1 1760442514 CWGYLYHGTCMAEX-UHFFFAOYSA-N 467.618 2.497 30 10 JEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1CCCC[C@@H]1C)C1CC1 1760476784 GNWMDQHQCQIOAD-AZUAARDMSA-N 466.652 2.030 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C=C)CC1 1760522188 NMOGBCJLUSGYSO-SFHVURJKSA-N 460.579 2.291 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN2CCOC[C@H]2C1 1760532311 RSWKICAIVHJMEA-OAQYLSRUSA-N 468.602 2.330 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCC(Cn2ccnn2)CC1 1760553635 XDEHZENUKLFOQX-UHFFFAOYSA-N 471.587 2.063 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 1760553933 MEJIWTKBPKRTOX-HNNXBMFYSA-N 452.602 2.357 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1760555933 QTRKONOSDFAYMS-UHFFFAOYSA-N 492.690 2.061 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCOc2ccccc2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1760557304 HGIBQJIJKLYYJQ-RDPSFJRHSA-N 490.626 2.275 30 10 JEEE CC(=O)N[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C2CC2)N(C)C)C1 1760643912 GXCYRPZPQVTSGW-IFMALSPDSA-N 451.575 2.174 30 10 JEEE COc1ccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCN2CCOCC2)cc1O 1862595140 ZTBXQLBWAZLEGG-NRFANRHFSA-N 454.479 2.017 30 10 JEEE C=CCN(CC=C)C(=O)[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1)c1ccccc1 1868596659 UFAGJYPVMOAICC-DEOSSOPVSA-N 496.633 2.294 30 10 JEEE C=CCN(CC=C)C(=O)[C@H](Cc1ccc(F)cc1)NC(=O)c1cc(C)cc(S(N)(=O)=O)c1 1869032381 PDXSVPMJQQFQET-NRFANRHFSA-N 459.543 2.323 30 10 JEEE CCOc1ccccc1OCc1nnc(SCC(N)=O)n1/N=C/c1ccccc1C(=O)O 1874240806 ZKOMQHAVGMIAOX-FOKLQQMPSA-N 455.496 2.414 30 10 JEEE CC(C)N1C(=O)CS[C@@H](C(=O)N2CCN(c3ccnnc3)CC2)[C@H]1c1ccc(C#N)cc1 1890277042 DFLMGWCYRJPUTI-FGZHOGPDSA-N 450.568 2.091 30 10 JEEE CC(C)(C)OC(=O)N[C@]1(C(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)C[C@H](O)C1(C)C 2206615397 YHKUQFRQRFPRSY-WNSKOXEYSA-N 461.368 2.374 30 10 JEEE C[C@@H](CNC(=O)OC(C)(C)C)CNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2247881475 YRVCUUOJVTWXOR-ZDUSSCGKSA-N 460.427 2.486 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H]1CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2255753675 RRJZZXPXVIRIBY-ZIAGYGMSSA-N 472.438 2.486 30 10 JEEE C[C@H](CNC(=O)OC(C)(C)C)N(C)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2255933791 SHIYQIJGNTTYLK-CYBMUJFWSA-N 475.442 2.117 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H]1CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2255950325 LIPKHJWOPNOBOQ-KBPBESRZSA-N 472.438 2.486 30 10 JEEE Cc1c(C(=O)N[C@@H](C)C(C)(C)NC(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2266996713 JIOUDCRRPGSAHD-AWEZNQCLSA-N 450.389 2.449 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C[C@@H]1CO 2267137722 PATOZUPNWGFTMK-GDBMZVCRSA-N 466.409 2.395 30 10 JEEE COC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2267172280 ADYYUFACQGZAJU-AWEZNQCLSA-N 467.397 2.150 30 10 JEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2267191680 GKYRLYTVDIUPGB-ZIAGYGMSSA-N 467.397 2.197 30 10 JEEE C[C@@H]1[C@H](NC(=O)OC(C)(C)C)CCN1S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2267378380 OMCOCRDJRIEROS-RHSMWYFYSA-N 467.397 2.057 30 10 JEEE Cc1nn(C)c(C(=O)NCCC(C)(C)NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267505313 GNDPBPXTOFRJBU-UHFFFAOYSA-N 450.389 2.451 30 10 JEEE CO[C@H]1C[C@@H](CNC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)N(C(=O)OC(C)(C)C)C1 2267547505 LQTRTNYAGJKBCM-KBPBESRZSA-N 467.397 2.197 30 10 JEEE Cn1nc(C(=O)N[C@@H](CNC(=O)OCc2ccccc2)C(F)(F)F)cc1B1OC(C)(C)C(C)(C)O1 2267551314 KVEPVPUXQCDEFX-INIZCTEOSA-N 496.295 2.306 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H]1CNS(=O)(=O)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2267708794 QMLWIVQAGCQTMG-GOSISDBHSA-N 466.409 2.415 30 10 JEEE CC(C)(C)OC(=O)NC/C=C\CNS(=O)(=O)c1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2268407510 RXCAFSYRNVQXJW-HJWRWDBZSA-N 470.372 2.484 30 10 JEEE COc1ccc(C(=O)NCC2(NC(=O)OC(C)(C)C)COC2)c(B2OC(C)(C)C(C)(C)O2)c1 2281943555 GLBPALREQSEVNP-UHFFFAOYSA-N 462.352 2.018 30 10 JEEE Cn1nc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC23CCC3)cc1B1OC(C)(C)C(C)(C)O1 2281975208 JOEYQBIFEQTHMK-MRXNPFEDSA-N 460.384 2.239 30 10 JEEE Cc1ccnc(C(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)CCO2)c1B1OC(C)(C)C(C)(C)O1 2282003600 DGYPISPBDHFHIJ-INIZCTEOSA-N 461.368 2.055 30 10 JEEE C[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1nn(C)c(Cl)c1B1OC(C)(C)C(C)(C)O1 2282036641 LQQRBKXOVYEHJW-GHMZBOCLSA-N 478.708 2.044 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CN(Cc2ccccc2)CC(F)(F)C1 2282048955 SARNOMWZHOFNMT-KRWDZBQOSA-N 460.334 2.359 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)n1 2282050822 PHKMSBKNRKMVLF-HXUWFJFHSA-N 451.376 2.320 30 10 JEEE CN(CCOCCNC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2282345194 YMEPBRSMFJMBFG-UHFFFAOYSA-N 484.424 2.148 30 10 JEEE C[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2282552582 RFXLUSMOIRUGOK-HZPDHXFCSA-N 462.400 2.485 30 10 JEEE Cc1cnc(C(=O)N2CC[C@H](NC(=O)C(F)(F)F)[C@H](C)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2282644807 NWALNMZIOWUVAE-HIFRSBDPSA-N 455.286 2.218 30 10 JEEE C[C@@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(O)cc1O)C1CN(C(=O)OC(C)(C)C)C1 2282919269 YEDRRYJUZUXRMK-CYBMUJFWSA-N 462.352 2.382 30 10 JEEE CC1(C)OB(c2ccc(O)c(C(=O)N3CCC[C@@H](CNC(=O)C(F)(F)F)C3)c2)OC1(C)C 2282977286 XVHVKGLFJSREHQ-ZDUSSCGKSA-N 456.270 2.222 30 10 JEEE CN(CCOCCNC(=O)OC(C)(C)C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1O 2282981442 DBKJAQLLDDIUJI-UHFFFAOYSA-N 464.368 2.305 30 10 JEEE Cc1scc(C(=O)NC[C@](C)(CO)NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2320428897 XNWIKAKOAKNZHA-OAQYLSRUSA-N 454.398 2.361 30 10 JEEE COCCn1cc(C#C[C@H](N)[C@@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)cn1 2340408494 SGDHFKXKAKNYBM-WIOPSUGQSA-N 453.587 2.378 30 10 JEEE CN1C[C@@H](C(=O)N2CC[C@](C)(B3OC(C)(C)C(C)(C)O3)C2)N(C(=O)OC(C)(C)C)CC1=O 2342471877 BTDXMPUHQFZVDL-NYHFZMIOSA-N 451.373 2.149 30 10 JEEE Cc1nc(NC(=O)CCN(CCCO)C(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2368598235 YOPBCZRCOLIKQV-UHFFFAOYSA-N 464.372 2.032 30 10 JEEE N#Cc1nccnc1O[C@H]1CCN(C(=O)[C@@H]2CC(=O)N(c3cccc(Br)c3)C2)C1 219935556 WZCXWKWTUDFYNI-CJNGLKHVSA-N 456.300 2.144 30 10 JEEE COCCN=c1scc(-c2ccc(O)c(C(N)=O)c2)n1N=Cc1cccc(OC)c1OC 254398465 CZDWDMKYHMECBB-UHFFFAOYSA-N 456.524 2.468 30 10 JEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CC(C)(C)O3)c(=O)n1-c1ccccc1C#N 609220243 RTKROJNTVJPBPO-UHFFFAOYSA-N 482.565 2.289 30 10 JEEE N#CC(C(=O)Nc1ccccn1)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccccc1 729668407 IKRKUOXKLVCROF-UHFFFAOYSA-N 464.510 2.083 30 10 JEEE Cc1nn(CCO)c(C)c1C=NNc1nc(SCC(=O)NCc2ccc(Cl)cc2)n[nH]1 1084076039 XNYZDDTUPIXZIF-UHFFFAOYSA-N 462.967 2.118 30 10 JEEE C=CCN(C(=O)[C@@]1(F)CCS(=O)(=O)C1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 1124682805 MYVUAXWRXJQEIQ-GOSISDBHSA-N 458.558 2.259 30 10 JEEE C#CCn1ccc(CN(CC)C(=O)c2cc(C)n(Cc3ccc(S(N)(=O)=O)cc3)c2C)n1 1156617707 DIFWHTWGCYOQPR-UHFFFAOYSA-N 453.568 2.293 30 10 JEEE C#CC[C@@]1(C(=O)N2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)CCCN1C(=O)OC(C)(C)C 1160727877 BKXFWJSESCRNQS-JTSKRJEESA-N 453.605 2.100 30 10 JEEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1286353305 UGBBZOFTELMARS-CPJSRVTESA-N 499.616 2.485 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CC1(SC)CCN(C)CC1)[C@H]1CCS(=O)(=O)C1 1286388543 RCOKSAJFRWHDRJ-SFHVURJKSA-N 477.656 2.301 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCOCC(F)(F)C(F)F)[C@H]1CCS(=O)(=O)C1 1286389538 LXCPSBVSMFSUAP-HNNXBMFYSA-N 489.495 2.192 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCCSc2nccs2)CC1 1286472391 HLOZSCIGTSFYQU-NRFANRHFSA-N 462.645 2.324 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2c(Cl)cccc2OC)CC1 1286472560 JMDHIWXYUMQPAI-HSZRJFAPSA-N 459.978 2.396 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3)n2Cc2nncn2CC)CC1 1286474921 NTANKXZPQNXQHD-UHFFFAOYSA-N 455.364 2.123 30 10 JEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](C(=O)N(C)c2ccccc2)C1 1286494316 LXDFKEHICGQYOK-GOSISDBHSA-N 454.600 2.272 30 10 JEEE C=C(Br)Cn1c(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)nnc1[C@]1(OC(C)C)CCOC1 1286548149 UHXMVCPGUZSIEU-VKJFTORMSA-N 479.441 2.485 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1286568112 XPGWXQXLRQWIMF-OPYAIIAOSA-N 460.579 2.097 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)NC(=O)OC(C)(C)C)C1CC1 1286738562 XAJYNSWXVQHBQW-KRWDZBQOSA-N 498.650 2.069 30 10 JEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](Oc2ncccc2F)C1 1286789861 IGYISIQUQHGSMF-GOSISDBHSA-N 468.537 2.024 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1286789882 YIHBXOBBLRICBF-LJQANCHMSA-N 452.603 2.490 30 10 JEEE C=CCNC(=O)Cn1c(N2CC[C@H](c3cnn(C)c3)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1286793112 SDYMCDWFBAVKHO-JENIJYKNSA-N 484.605 2.078 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC)[C@H](C)C1 1286798109 BTMNLMXKWVHDDV-QUCCMNQESA-N 459.616 2.324 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCCN(C(=O)c2ccccc2)CC1 1286819075 ZCBIJEMJZHZLNQ-UHFFFAOYSA-N 482.610 2.237 30 10 JEEE CC(=O)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1286867689 BWLHQTCDXDKPFX-JOCHJYFZSA-N 479.585 2.046 30 10 JEEE CC(C)NC(=O)CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCO[C@@H](C#N)C1 1288199293 AQOGUORHARVDMV-MSOLQXFVSA-N 475.594 2.036 30 10 JEEE CC[C@H](C)NC(=O)CCn1c(Cc2ccccn2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1291816692 HRSUQIMNMIBYAP-IBGZPJMESA-N 473.585 2.162 30 10 JEEE C=C(C)Cn1c(SCC(=O)NC[C@@H]2CCC[C@H]2NS(C)(=O)=O)nnc1-c1ccco1 1295044625 RNKBSHJMULFNSQ-LSDHHAIUSA-N 453.590 2.040 30 10 JEEE CNS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1cccc(C#N)c1 1299322639 GMIJQLBVQMPEHI-RTBURBONSA-N 460.604 2.254 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@](C)(O)c1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 1300488816 WKDRPHLDXAEBBC-WMZHIEFXSA-N 488.013 2.471 30 10 JEEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](CC=C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1300491214 FBJONNXWNFHGRK-NJYVYQBISA-N 467.595 2.216 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H](c1ccc(CC)cc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1300496083 NVRSGCQYQMXIMM-XPWALMASSA-N 485.654 2.274 30 10 JEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](C)N1CCC[C@@H](C)C1 1300527050 AIZXLQZIQOLPMQ-UXHICEINSA-N 467.643 2.431 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1c(CC)nn(C)c1OC 1300579785 WRQOPGSQVWLBQR-UHFFFAOYSA-N 498.591 2.491 30 10 JEEE C#CCN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H](N1CCOCC1)C(F)(F)F 1300620552 CDQMDOCCJCDCEJ-KRWDZBQOSA-N 475.475 2.317 30 10 JEEE COc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1C[C@@]1(N(C)C)CCSC1 1300658085 AOOIGWYAAOGNBN-VGSWGCGISA-N 458.588 2.032 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H](C)Oc2cccc(OC)c2)CC1 1300685027 DPQKRJBPCGLEJH-CJFMBICVSA-N 469.586 2.162 30 10 JEEE C=CCCCn1c(N2C[C@H](C)[C@@H](N3CCN(C(C)=O)CC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1301235082 UZYDEBHRDSFFNF-UWDQQESISA-N 474.650 2.274 30 10 JEEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1301474189 VPIMPPMMCOQLFI-HOTGVXAUSA-N 454.597 2.006 30 10 JEEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 1301510413 XKONHHCVMUCWAX-IBGZPJMESA-N 465.558 2.450 30 10 JEEE CC(C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCOC[C@H]2C)CC1 1303457022 CWXYMDRZYVBTLJ-KNQAVFIVSA-N 465.602 2.136 30 10 JEEE CC(F)(F)c1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)cc1 1303782028 BVXTWVVQJNUAEN-DYESRHJHSA-N 498.531 2.213 30 10 JEEE N#Cc1ccc(Br)c(OCC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)c1 1307382833 FJQKNTLBJZATBO-UHFFFAOYSA-N 458.312 2.488 30 10 JEEE COC(=O)[C@H](CNS(=O)(=O)c1cc(Br)cc(C#N)c1)Cc1ccc(O)cc1 1309225097 AXBVKXRJROTDBX-AWEZNQCLSA-N 453.314 2.337 30 10 JEEE C#CCN(c1nnc(C(C)C)n1Cc1ccccc1Cn1cccn1)[C@H]1CCS(=O)(=O)C1 1358955531 NSAPGMAUFFLRRB-NRFANRHFSA-N 452.584 2.321 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2CCN2CCOCC2(C)C)CC1 1359046880 JKRWSUSUQRZGTG-UHFFFAOYSA-N 494.640 2.242 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccnc(OC(F)F)c1 1359070517 OJCWITHWSPPMRC-FOIQADDNSA-N 451.499 2.217 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(C)COCCO1 1359071156 GDAZKDVDGAVFID-DQMJNTIXSA-N 475.590 2.384 30 10 JEEE C=C(C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1359118723 YWDJYZOEOBWBPA-UHFFFAOYSA-N 496.612 2.479 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1359187210 FVOMEEHBHKQNSO-IBGZPJMESA-N 459.639 2.212 30 10 JEEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(=O)Cc2cccc(F)c2)CC1 1359208053 DTYDILXZIJDTPW-GOSISDBHSA-N 492.621 2.275 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1ccc(C)c(F)c1 1359272289 OJXXEWKAZSHVRB-GOSISDBHSA-N 461.563 2.236 30 10 JEEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCO[C@@H](c2ccc(F)cc2F)C1 1359335586 PGUDMJIRDRKEJS-GOSISDBHSA-N 456.515 2.272 30 10 JEEE CC(C)(C)OC(=O)N1CCC(c2nnc(N3CCO[C@H](C#N)C3)n2CCN2CCSCC2)CC1 1359554950 BWFCMPUMAYUABH-LJQANCHMSA-N 491.662 2.170 30 10 JEEE COCCn1c(COc2ccc(C)cc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1504895710 FRESLBVCQBCZIX-UHFFFAOYSA-N 450.547 2.052 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2C[C@H](C)N2CCOCC2)c1 1507549759 NSSURUGZSYGUCF-IBGZPJMESA-N 459.554 2.117 30 10 JEEE C#CCCCCn1c(-c2noc3c2COCC3)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1507560257 GDFLROKFDJLPDG-UHFFFAOYSA-N 483.617 2.190 30 10 JEEE C#CCN(c1nnc(C2CCCC2)n1CCCN(C)CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1507631685 GCDCRQYZUVMIHJ-KRWDZBQOSA-N 461.554 2.447 30 10 JEEE C#CCN(c1nnc(COCC)n1C[C@@H]1CCC2(CCCCC2)O1)[C@H]1CCS(=O)(=O)C1 1507637582 LCPKFBKTTAEZFM-OALUTQOASA-N 450.605 2.323 30 10 JEEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H](C)[C@H](OC)C1 1507749673 YJSVHKPIEFXDBC-YLJYHZDGSA-N 477.656 2.423 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1507803526 GGNIYKGZKIMQER-KLJZETAQSA-N 497.596 2.489 30 10 JEEE C=C(C)COCCn1c(N2C[C@H](C)O[C@]3(CCCOC3)C2)nnc1[C@]1(OCC)CCOC1 1507847554 IZSPIZSYVQVQMY-PMOQBDJRSA-N 450.580 2.297 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H](C)c1ccc(OC)cc1 1507981873 LAVHXOAJXHXPOC-PXNSSMCTSA-N 463.604 2.436 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCC(=O)N2)n1CCN1CCSCC1 1507999344 ZDXWXRNHMSKNGQ-HXUWFJFHSA-N 456.616 2.479 30 10 JEEE C=CCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1508051096 QWTXKZFXHWGUDC-GOSISDBHSA-N 451.980 2.415 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1508136345 FAJPGLFUJZRKHH-QFIPXVFZSA-N 464.563 2.459 30 10 JEEE C[C@H](Cn1c(-c2ccc(Br)s2)nnc1N1CCO[C@@H](C#N)C1)N1CCOCC1 1510030156 FRUBDYAUTPLRAW-KGLIPLIRSA-N 467.393 2.219 30 10 JEEE CO[C@@H]1COCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(C)C)C(=O)C1 1518637383 DOIASLYKFHAFBB-NHCUHLMSSA-N 452.559 2.173 30 10 JEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CCN1CCOC(C)(C)C1)[C@@H]1CCS(=O)(=O)C1 1539206956 YCASGDLVZUTGBA-HXUWFJFHSA-N 492.045 2.336 30 10 JEEE C#CCN(CC#CC)c1nnc(Cn2ccc3ccccc32)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1539330731 ATIRGHXSMZFWJB-HXUWFJFHSA-N 464.595 2.026 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@]2(O)CCO[C@@H]2C)CC1 1539437547 DRGQFOKGEJQHFN-VGOFRKELSA-N 474.403 2.311 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@@H](CNC(C)=O)C1 1539624991 XQOFAJVFFYSLPL-RFWXGWTQSA-N 485.585 2.285 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C)[C@H]1CC 1539631652 MPIBRIMENOZPOA-UEDWAMCQSA-N 467.636 2.217 30 10 JEEE C=C(Cl)Cn1c(N2CCC(CNC(=O)c3cnn(C)c3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1539821346 YIXPBVVKKNMUFI-QHCPKHFHSA-N 492.024 2.451 30 10 JEEE C=CCCOCCn1c(-c2cccc(Br)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1540019857 DSPQUUNTBIGVDK-KRWDZBQOSA-N 464.364 2.252 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1540864671 HVFXRLBQRZGHOW-BPQIPLTHSA-N 471.558 2.134 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1540867143 MBQNGGHHCYDFSX-WMZOPIPTSA-N 498.584 2.368 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)[C@H]1CCSC1 1540869513 PBPDZXIGOBCMRF-INIZCTEOSA-N 467.599 2.480 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(C(=O)OC)CC1 1540898594 OTSQNTJVSRBWQA-UHFFFAOYSA-N 486.392 2.026 30 10 JEEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1540919487 BNNGUSAIKKXPAM-UHFFFAOYSA-N 467.661 2.257 30 10 JEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)Cc3cccc(OC)c3)CC2)c1 1542423239 HQVNWNACLHFRGZ-UHFFFAOYSA-N 454.548 2.019 30 10 JEEE COc1ccccc1OCc1nnc(N2CCC(C#N)CC2)n1CC1CCS(=O)(=O)CC1 1555099529 CHZLGXZECRLEHY-UHFFFAOYSA-N 459.572 2.430 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H](C)Oc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1588065472 ZBUTYQRBGHDBBR-NQIIRXRSSA-N 483.569 2.497 30 10 JEEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1CC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1588069516 PQTUKPWZCPXEHD-LJQANCHMSA-N 458.584 2.016 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC1(N2CCOCC2)CC1 1588189202 FLJHVYNYYIZERO-UHFFFAOYSA-N 479.581 2.299 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1c(F)cccc1N1CCCC1 1588229393 WEOFDGKHJOQWOM-LJQANCHMSA-N 469.586 2.431 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCS(=O)(=O)C(C)(C)C)CC1 1588762469 IGFSJEQELOINKV-UHFFFAOYSA-N 483.436 2.004 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H]2CCO[C@H]2C(C)C)CC1 1588885860 ZUPQZJVXVBVAFN-FPOVZHCZSA-N 472.634 2.223 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CCCC)CC1 1588923995 TVRWGSQTHZXENY-UHFFFAOYSA-N 461.570 2.441 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OC(C)C)CCOC2)n1CCc1ccc(S(N)(=O)=O)cc1 1589163715 MSLLTAFWVSAQNA-DNQXCXABSA-N 487.626 2.201 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@H]2CCCN2C[C@H]1C 1595778101 WOWLDVWVKZWQLM-IEBWSBKVSA-N 475.615 2.236 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 1595784555 IUIRWCCYYTWRGX-KRWDZBQOSA-N 476.603 2.434 30 10 JEEE Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)cc1 1641497419 AXIAQKZYPMCRCV-LJQANCHMSA-N 455.584 2.100 30 10 JEEE C#CC[C@@H](NC(=O)c1nnn(C2CCN(C(=O)OC(C)(C)C)CC2)c1C(F)F)C(=O)OC 1642415344 QXEVVJWGXLXYNN-CYBMUJFWSA-N 455.462 2.082 30 10 JEEE COC(=O)[C@H](O)C1CCN(CC(=O)Nc2c(C#N)c3c(n2-c2ccccc2)CCCC3)CC1 1652954191 DZERSSMDAHOFGM-HSZRJFAPSA-N 450.539 2.412 30 10 JEEE C=CCN(CC(=O)OCC)S(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1OC 1659829332 GLMXWIQQXZSWKS-UHFFFAOYSA-N 451.295 2.414 30 10 JEEE C#CCC[C@@H](O)CNC(=O)NC[C@@H]1CCCN1Cc1ccc(I)cc1 1682015071 YUEYHACDEUODRQ-ZWKOTPCHSA-N 455.340 2.329 30 10 JEEE C#CCN(C)c1nnc(-c2ccc(F)cc2Br)n1CCN/C(O)=C1\N=CC=CC1=O 1689954004 IEAKSNSTLPLAPJ-HTXNQAPBSA-N 473.306 2.443 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccc(Cn2cccn2)cc1)[C@@H]1CCS(=O)(=O)C1 1689979539 CTATWUOURNGKKM-OAQYLSRUSA-N 466.611 2.495 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H](c1ccccc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1689992197 IETZIGNJHVZTGR-GOTSBHOMSA-N 478.622 2.194 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H](C)Oc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1689993014 SVTPHBYCYLAKCI-NQIIRXRSSA-N 483.569 2.497 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1CCN1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1689994097 QZBUMKYSCGRECA-HSZRJFAPSA-N 469.655 2.422 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCS(=O)(=O)N(C)C 1690037362 VHGKKGLXZSSOST-QGZVFWFLSA-N 459.641 2.486 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccco1)N1CCCCC1 1690046976 JFNSKRNUZYQQFX-SFTDATJTSA-N 469.611 2.463 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCCC(F)(F)C1 1690047687 WWZUMZKPOIZHLF-RBUKOAKNSA-N 483.585 2.290 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(OC)c2)n1C[C@]1(N2CCOCC2)CCSC1 1690095603 WWYWXNHGASPIDX-XMMPIXPASA-N 471.627 2.248 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCC(=O)NC)CC1 1690152302 GSZSEXRFUZCXDL-UHFFFAOYSA-N 480.613 2.257 30 10 JEEE C#CCSCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1690157635 LIXFTVCWEOKKGC-QFBILLFUSA-N 486.573 2.396 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC(CO)(Cc2ccccc2)CC1 1690673189 RBFJBFACHVAOOM-UHFFFAOYSA-N 460.582 2.388 30 10 JEEE C=CCOc1ccc(Cn2c(Cc3ccccn3)nnc2N2CCN(C(=O)COC)CC2)cc1 1690680689 YRTIDJIGISIHRR-UHFFFAOYSA-N 462.554 2.172 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H]1Cc1cccs1 1690714259 IGJDKGXIKXZJPQ-QGZVFWFLSA-N 463.629 2.388 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC(N2CCCCC2)CC1 1690724530 RDYZGUKYTPIJFK-IBGZPJMESA-N 451.637 2.228 30 10 JEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1690744564 POQZGFPQKSLBTO-ROUUACIJSA-N 465.649 2.149 30 10 JEEE COC(=O)N1CCC(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCO[C@H](C)C2)CC1 1697072466 CLDWUAMIGGHWIR-QGZVFWFLSA-N 454.531 2.432 30 10 JEEE CO[C@]1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)CCOC1 1697227852 HDQOGAPTUOPDLJ-NLFFAJNJSA-N 498.584 2.352 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCN1CCN(C(C)=O)CC1 1705491672 GQWTWGAZMDQREQ-CTNGQTDRSA-N 487.649 2.015 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC[C@@H](C)c1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1705558717 GPCYWOJHIXFHSF-UYAOXDASSA-N 487.626 2.245 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@](C)(O)c1ccco1)[C@@H]1CCS(=O)(=O)C1 1705570396 MVUJFOGKNZLOKC-JPYJTQIMSA-N 472.542 2.135 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCC1CCN(CC)CC1 1705627186 XWNJTRZRXLVRGS-UHFFFAOYSA-N 477.613 2.400 30 10 JEEE C#CCN1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CC(=C)Br)CC1 1705638585 PJPJTQJDNFFBMK-UHFFFAOYSA-N 482.386 2.339 30 10 JEEE C=C(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1705722512 QCUCGQGQSDYOKT-LJQANCHMSA-N 476.559 2.060 30 10 JEEE C=C(Cl)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1705745620 FKCIDCBHNUQDKX-HNNXBMFYSA-N 472.937 2.247 30 10 JEEE C=CCCOCCn1c(-c2cccnc2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1705828173 FNLJEECTGNOBEV-OAQYLSRUSA-N 467.618 2.456 30 10 JEEE C=CCN(c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@@]1(O)CCS(=O)(=O)C1)C1CC1 1705850818 JSJBIKPCZKDSKJ-QFIPXVFZSA-N 462.572 2.057 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc(-c2cnn(C)c2)n1CCN1CCN(C(C)=O)CC1 1705877303 BKAWHTAYPAHTFI-UHFFFAOYSA-N 462.602 2.078 30 10 JEEE CC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCOCC2)C[C@H](C)O1 1709372854 DCWCHGCNRMSMBA-PZJWPPBQSA-N 454.575 2.455 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCN1CCC[C@@H](C)C1 1722380187 HMUATXDFQGJDPY-HXUWFJFHSA-N 457.582 2.480 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cccc(OCC(C)C)c2)CC1 1722438313 VNFRSFZLNKHGBN-OAQYLSRUSA-N 471.627 2.019 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@H](C)N(C)C)CC1 1722450448 JCINECRTAGSLGG-QUCCMNQESA-N 487.649 2.266 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCOCc1ccc(OC)cc1 1722467424 RXKLAGJQKDXGJT-VGOFRKELSA-N 461.588 2.106 30 10 JEEE C=C(C)COCCn1c(N2C[C@H](C)OC3(CCOCC3)C2)nnc1[C@@]1(OCC)CCOC1 1722535665 DKOZOCSCVZWPKI-WMZHIEFXSA-N 450.580 2.297 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](CC(C)C)NC(=O)OCC)CC1 1722565817 CCNFNFJVRXGTEO-QZTJIDSGSA-N 453.609 2.497 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC(=O)N(C)CC)C1 1722709056 JAJKKSRTWZNQIA-SFHVURJKSA-N 460.966 2.121 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1722729866 ZFZRGPOMSGUACI-GOSISDBHSA-N 492.989 2.392 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCn2cncn2)C1 1722992059 FYABSLNCSRKKNX-SFHVURJKSA-N 463.546 2.459 30 10 JEEE CCCNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CC(OCC)C2)C1 1728170441 CRDACTSDGJZTCO-LQAIBEDLSA-N 466.586 2.489 30 10 JEEE N#C[C@@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCOc2cccc(Cl)c2)C1 1731180818 DTKHCFIRIGRYFF-KUHUBIRLSA-N 453.927 2.355 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H](OC)C(C)C)[C@H]1CCS(=O)(=O)C1 1740619177 MNDGPNDVRRLAIC-RXVVDRJESA-N 476.599 2.260 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1CC1(N2CCSCC2)CCCC1 1740678305 IXGRUJJXAZEDNR-UHFFFAOYSA-N 483.642 2.373 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ccncc1Cl 1740680501 DWKQKHOLDUTKDI-UHFFFAOYSA-N 489.001 2.378 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(CCc2ccc(OC)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1740733324 JUDFQBCIXZVYJH-HYBUGGRVSA-N 471.627 2.346 30 10 JEEE C=CCN(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1C[C@@]1(O)CCS(=O)(=O)C1 1740902906 DTOHBWQGVRKKBE-NRFANRHFSA-N 469.007 2.423 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(c2cc3ccccc3[nH]2)CC1 1740951207 CZWIBKAZVKBGDM-INIZCTEOSA-N 485.614 2.056 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cc(F)ccc1N1CCOCC1 1748689894 JNQGXPQLRIELJN-FGSXEWAUSA-N 457.550 2.484 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CC3)n2CC2(O)CCN(C(C)C)CC2)c1 1748692956 SYJRIBNYZOMBQX-UHFFFAOYSA-N 450.587 2.447 30 10 JEEE C#CCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1748735210 DLMNTGADMMIWQR-KRWDZBQOSA-N 484.988 2.412 30 10 JEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(O)CCc2ccccc21 1748790668 ZQAODIJMTMCFEH-NLFFAJNJSA-N 467.570 2.490 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC[S@@](=O)CC 1748887007 PPOUHVZVHIIQQC-XIFFEERXSA-N 464.595 2.297 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCCn2cc(CO)nn2)CC1 1748999297 OQFVCGMQGQBXSE-UHFFFAOYSA-N 492.628 2.084 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cccnc2OC)CC1 1749003250 CVHGJKKPGDYGOT-UHFFFAOYSA-N 455.522 2.234 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H](C)c2c(C)noc2C)CC1 1749003690 RUINIAJVCNBUFS-SSOJOUAXSA-N 484.601 2.305 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2Cc2c(CC)nn(C)c2OC)CC1 1749017065 UYLNJOGMSFRJPW-UHFFFAOYSA-N 493.587 2.327 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCOCCN(C)C 1749056298 XLFLAYXVYFJLDM-HSZRJFAPSA-N 473.647 2.117 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2OCC)n1CCN1CCCS1(=O)=O 1749078927 UARSSLYYHNJPMJ-HSZRJFAPSA-N 473.599 2.283 30 10 JEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(C(F)(F)F)cc1 1749629787 DWXFCESGNNCBHH-INIZCTEOSA-N 459.494 2.452 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1749658901 XUSXFUZZRZJCOI-KGLIPLIRSA-N 469.995 2.167 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N(C)[C@H](C)CS(=O)(=O)CC 1749660407 OPPODTOGBDUKCM-MRXNPFEDSA-N 456.572 2.055 30 10 JEEE CC(=O)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC[C@H](O)C2)CC1 1749838771 DXARBKWPJNWTEA-SFTDATJTSA-N 452.559 2.338 30 10 JEEE CC[C@H](C)[C@](C)(O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCO[C@@H](C#N)C1 1752555517 ACFDOFRPQOOXIQ-WOGXIUBCSA-N 465.558 2.201 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2CCOC[C@H]2OC)c1 1760127980 SRLOYDAMSAQTSO-ADGBJGEGSA-N 497.596 2.110 30 10 JEEE C#CCCCCn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1760133469 FOEDSTCCRCNKAK-NRFANRHFSA-N 478.597 2.321 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2C/C=C\CC)CC1 1760268610 MMJWKTGNZKOWFL-TWGQIWQCSA-N 459.554 2.124 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@H](c2ccco2)N2CCCC2)CC1 1760273536 XOUGFLPZJWJKQK-HXUWFJFHSA-N 454.575 2.211 30 10 JEEE C#CCSCCn1c(COc2ccc(Cl)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1760285551 JRMASVSCUYUIKS-UHFFFAOYSA-N 477.034 2.087 30 10 JEEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(C[C@H]2CCCO2)CC1 1760301735 INQRJBDYWWLSSA-IAGOWNOFSA-N 458.401 2.212 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(=O)NCCCC)C1 1760322914 ZBLLQTXVTLYOTP-NCYKPQTJSA-N 493.674 2.294 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1760338201 ZPPNWERXPXTDMT-DLBZAZTESA-N 479.569 2.236 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1760342987 SHLJYJNLNUYYJB-KNQAVFIVSA-N 488.658 2.319 30 10 JEEE C=C(C)Cn1c(COc2ccccc2F)nnc1N1CCN(Cc2nc(COC)no2)CC1 1760348299 HPBQRWCGAGATGH-UHFFFAOYSA-N 457.510 2.424 30 10 JEEE C=C1CCN(c2nnc(-c3nn(C(C)C)c(=O)c4ccccc34)n2CCNS(=O)(=O)CC)CC1 1760388617 UIKSQDYYCACKOP-UHFFFAOYSA-N 485.614 2.332 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](OCc2ccccc2)C1 1760514965 PUEZQZWZPUVJJH-IBGZPJMESA-N 461.526 2.023 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1760515846 GVTKIXSAPMPNCD-IAGOWNOFSA-N 470.549 2.354 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1 1760524087 OWZMADMLHWEMCC-KRWDZBQOSA-N 462.595 2.358 30 10 JEEE C=CCOc1ccc(Cn2c(N(C)[C@H]3CCS(=O)(=O)C3)nnc2[C@@]2(OCC)CCOC2)cc1 1760531336 LTODDWBATYZATO-WMZHIEFXSA-N 476.599 2.167 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccn3)n2C[C@@H](N2CCOCC2)C(F)(F)F)C1 1760546883 YGXZAJCMRAPWAR-RBUKOAKNSA-N 466.508 2.308 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1760552294 JQFWWHROBDYXNW-UHFFFAOYSA-N 472.615 2.170 30 10 JEEE C[C@@H]1OCC[C@]1(O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@](F)(C#N)C1 1763273635 GWZVGQBYISAWJU-FRMGNDQPSA-N 464.542 2.332 30 10 JEEE CCN1CCC[C@@H]1Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCO[C@@H](C#N)C1 1765433472 HKFRRVBWZMMMHC-MSOLQXFVSA-N 456.547 2.184 30 10 JEEE CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2ccnc2C)CC1 1766647943 DAJJQUBKPSSPQM-UHFFFAOYSA-N 489.628 2.402 30 10 JEEE CCS(=O)(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1CCOc1ncccc1F 1766667021 FKQVDLMAYMXHQW-UHFFFAOYSA-N 458.519 2.301 30 10 JEEE CNS(=O)(=O)c1cccc(Cn2c(CC(C)C)nnc2N2CCN(c3ccc(C#N)cn3)CC2)c1 1769363697 GOYXSPABGPKKFD-UHFFFAOYSA-N 494.625 2.026 30 10 JEEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCN(c2ccc(NC(=O)c3cccc(C#N)c3)cn2)CC1 1858451405 WNBITYZGLAQZJE-UHFFFAOYSA-N 465.539 2.056 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)COc3cccc4c3C(=O)N(CCCOC)C4=O)cc21 1865823117 IOEWONSVRQKMBD-UHFFFAOYSA-N 464.474 2.492 30 10 JEEE COC(=O)c1ccc(C)c(NC(=O)[C@@H](CO)NC(=O)C2CCN([C@H](C#N)c3cccs3)CC2)c1 1866866027 CEMYKKHVRDWXAO-WOJBJXKFSA-N 484.578 2.236 30 10 JEEE CC(C)(C)OC(=O)N(CCC(=O)N[C@H](CO)C(=O)Nc1ccc(C#N)cc1)Cc1cccnc1 1867084975 LHPAFGXCIKYRKB-HXUWFJFHSA-N 467.526 2.196 30 10 JEEE C=CCOc1cn(C[C@H](c2ccc(O)cc2)N(C)C)c(CN2CCC(C(N)=O)CC2)cc1=O 1870387358 ATYPPYJVGWMQKA-JOCHJYFZSA-N 454.571 2.119 30 10 JEEE COC(=O)c1[nH]c2ccc(F)cc2c1/C=N/n1c(SCC(=O)NC2CCCC2)nnc(C)c1=O 1873494990 JSRTWCLOEMTPGD-YSURURNPSA-N 486.529 2.387 30 10 JEEE C=CCn1c(C(=O)NCCN(C)C)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873595151 QSDZOEKVGBTTPY-UHFFFAOYSA-N 463.586 2.244 30 10 JEEE CCOc1cc(/C=N/n2c(CCOC)nnc2SCCCO)ccc1OCC(=O)N(CC)CC 1874473987 HBJPEQYERXIUBW-LFVJCYFKSA-N 493.630 2.470 30 10 JEEE C=CCn1c(C(=O)N2CCN(c3ccccn3)CC2)cc2c(NCCc3cnc[nH]3)ncnc21 1875229820 GWVHPIWLYMPIEA-UHFFFAOYSA-N 457.542 2.352 30 10 JEEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)c3csc(-c4cnccn4)n3)CC2)CC1 1889537757 OMWCACBDVWKMAT-UHFFFAOYSA-N 468.627 2.251 30 10 JEEE COc1ccc([C@H]2[C@H](C(=O)N3CC(COc4cccnc4C#N)C3)OCC(=O)N2C(C)C)cc1 1891421378 DHWANNDTNLGHMG-BJKOFHAPSA-N 464.522 2.176 30 10 JEEE C#CCN(C(=O)[C@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 2080578639 IWZGESRLURZRNQ-QZTJIDSGSA-N 451.564 2.218 30 10 JEEE CC(C)(C)OC(=O)NCc1cn(C2CN(c3ncccc3B3OC(C)(C)C(C)(C)O3)C2)nn1 2241046502 KHZFPOMCOAVGTI-UHFFFAOYSA-N 456.356 2.058 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)[C@H](O)C1 2255810158 AFIMZKBPZREFPO-JKSUJKDBSA-N 452.382 2.147 30 10 JEEE C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccc(B2OC(C)(C)C(C)(C)O2)s1 2256620000 CWJDFRLOQVHBMV-BBRMVZONSA-N 454.398 2.280 30 10 JEEE C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)n1 2256624964 ZJBPWHFNERTYPH-SMDDNHRTSA-N 455.748 2.247 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)CO1 2267289740 UIVSSISRFZPLPW-CABCVRRESA-N 450.341 2.238 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)CCO1 2267556669 GUPXKNPMKSFMFO-HUUCEWRRSA-N 450.341 2.381 30 10 JEEE CCN(C(=O)OC(C)(C)C)[C@H](C)CNS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2267704041 HEJRTQGLRBCNEW-OAHLLOKOSA-N 469.413 2.305 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(CNC(=O)[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)s1 2268710370 GZWCKHRHFIFXJT-QFIPXVFZSA-N 466.409 2.344 30 10 JEEE C#CCN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1)C1CCN(C(=O)OC(C)(C)C)CC1 2281984303 BQGNOLBFFPQPFI-UHFFFAOYSA-N 458.368 2.184 30 10 JEEE Cn1nc(C(=O)N[C@@H]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2282038547 JXQOSPUFEDWFEZ-MELADBBJSA-N 480.802 2.358 30 10 JEEE 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)c[nH]1 2282200900 PCEIBSQGFZGLGJ-RANZSIQMSA-N 461.368 2.114 30 10 JEEE CC1(C)OB(c2sccc2CS(=O)(=O)NC[C@@H]2CCCN(C(=O)C(F)(F)F)C2)OC1(C)C 2282415622 KDGDYRUEORLQBM-ZDUSSCGKSA-N 496.382 2.268 30 10 JEEE CC(C)(C)OC(=O)N1CC2(CC[C@H](CNC(=O)c3nscc3B3OC(C)(C)C(C)(C)O3)O2)C1 2282512937 LVJPEFMZUULYLR-CQSZACIVSA-N 479.408 2.341 30 10 JEEE CN(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)[C@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C 2282536115 YENDYHQMXGKOKD-WBVHZDCISA-N 462.400 2.485 30 10 JEEE CC(C)(C)OC(=O)N[C@]12CCC[C@@H]1CN(C(=O)c1ncc(B3OC(C)(C)C(C)(C)O3)cn1)C2 2282611820 AXQQBKSJGQKOBO-CMJOXMDJSA-N 458.368 2.295 30 10 JEEE CC1(C)OB(c2ccc(C(=O)NC3(CN)CCN(Cc4ccccc4)CC3)nc2)OC1(C)C 2282669454 UKSSXIDPNLKPDE-UHFFFAOYSA-N 450.392 2.104 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@]1(CO)CCN(C(=O)OC(C)(C)C)C1 2282673050 QFTJDDOCVPBXTB-XMMPIXPASA-N 460.380 2.396 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1CCO[C@@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2283956482 KTOLJCQMNSODSS-CJNGLKHVSA-N 465.331 2.388 30 10 JEEE COc1ccc(NC(=O)[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2284045687 PWFUVVUVHINMDL-HSZRJFAPSA-N 462.352 2.305 30 10 JEEE CC(C)(C)OC(=O)N[C@]1(C(=O)Nc2ccccc2B2OC(C)(C)C(C)(C)O2)CCS(=O)(=O)C1 2284066187 QMTIDKAUPQCQDQ-JOCHJYFZSA-N 480.392 2.006 30 10 JEEE CC1(C)OB(c2ccccc2C(=O)N[C@]2(C(=O)O)CCN(Cc3ccccc3)C2)OC1(C)C 2284475097 SKQITGDFXPSXIR-RUZDIDTESA-N 450.344 2.445 30 10 JEEE COC(=O)CSc1nnc([C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)n1N=Cc1cccn1C 2325881689 OZXPFJYYRTUYDR-OAHLLOKOSA-N 468.539 2.293 30 10 JEEE COc1ccc(C=NNc2nc3c(c(O)nc(=O)n3C)n2C[C@@H](O)COc2cccc(C)c2)cc1 2327753935 OGKOFZRAAFZLCK-QGZVFWFLSA-N 478.509 2.039 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](NC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)CCO1 2337340720 JLWOLYDTNRHANU-ZIAGYGMSSA-N 467.397 2.244 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC[C@H]2[C@@H]1CCN2C(=O)OC(C)(C)C 2362358039 VDGRBHOQSOZGNM-HOTGVXAUSA-N 460.384 2.333 30 10 JEEE CC(C)(C)OC(=O)NCC12CC(CNC(=O)c3cnsc3B3OC(C)(C)C(C)(C)O3)(CO1)C2 2362506939 CQXGDGHPXWVQLU-UHFFFAOYSA-N 479.408 2.246 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](CNC(=O)c2occc2B2OC(C)(C)C(C)(C)O2)N2CC[C@H]1C2 2368745784 VNLGWZGHSUAREO-HOTGVXAUSA-N 461.368 2.002 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(C)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1F 2369669045 IAFRDUKISNVLPF-HOTGVXAUSA-N 466.363 2.232 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)O[C@H](C)C(=O)NCc3ccc(OC)c(OC)c3)cc2C1=O 16984402 XMRAPBQRBULMGS-CQSZACIVSA-N 452.463 2.348 30 10 JEEE C=CCn1c(CCc2ccccc2)nnc1SCC(=O)Nc1nnc(SCC(N)=O)s1 20829751 BMVYEIXSRJMVJN-UHFFFAOYSA-N 475.625 2.409 30 10 JEEE CN(C)CCCN1C(=O)C(=O)/C(=C(\O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@H]1c1cccs1 102696549 UEVJSDYCGBLCGB-LAFOYAEKSA-N 477.608 2.372 30 10 JEEE N#C[C@@H](C(=O)Cn1cc(Br)cn1)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 916951967 BSFFVGBBEXCBOC-KRWDZBQOSA-N 494.371 2.168 30 10 JEEE C#CCN1CCCN(C(=O)[C@@H](CCS(C)(=O)=O)Cc2cccc(Br)c2)CC1 1147291312 QHYCOKDTAQXXNH-SFHVURJKSA-N 455.418 2.210 30 10 JEEE C#CCNC(=O)CN1CCN(C(=O)C(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)CC1 1157009571 PNOTVWWICSRYKA-NRFANRHFSA-N 456.587 2.172 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2C[C@@H](C)CN2CCOCC2)c1 1286312458 XZPHPFUHBUHDFV-NRFANRHFSA-N 487.608 2.288 30 10 JEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 1286325561 YZLDPELWPJFUMV-UYAOXDASSA-N 463.648 2.361 30 10 JEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1cn2ccsc2n1 1286365717 HSQPBWUPUZMJJK-UHFFFAOYSA-N 455.569 2.022 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CC1(CC)CCC1)[C@H]1CCS(=O)(=O)C1 1286379954 FIJIBLJZUSFIGO-KRWDZBQOSA-N 456.572 2.132 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1c(C)nn(C)c1C 1286427303 BVZBARMKKGYZIT-NRFANRHFSA-N 481.601 2.448 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2csc3ccccc23)CC1 1286471039 GKCNGIHCIUTQCF-KRWDZBQOSA-N 472.640 2.101 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2Cc2ccc(N(C)C)nc2)CC1 1286484580 RFNUFERGFLIFDF-UHFFFAOYSA-N 461.570 2.130 30 10 JEEE C#CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1286503626 IVZNMRUOCIMPQW-QGZVFWFLSA-N 489.671 2.100 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCCN(CC(F)(F)F)CC1 1286548294 SKENKTOCNYZESE-DLBZAZTESA-N 458.529 2.472 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1286554371 UJNRUDVIPVVFMU-UWJYYQICSA-N 491.614 2.025 30 10 JEEE C=C(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1286584914 QHCBAEZIOLIBGA-SFHVURJKSA-N 463.546 2.255 30 10 JEEE C=CCn1c(COc2ccc(C)cc2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1286777302 RVCDLSHIGOVUFB-UHFFFAOYSA-N 451.531 2.409 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC(O)(c3ccccc3Cl)CC2)nnc1[C@]1(OCC)CCOC1 1286793614 ZNCDBIUNAAJYCB-DEOSSOPVSA-N 490.004 2.374 30 10 JEEE C[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C(N)=O)C1)N1CCC[C@@H](C)C1 1291107317 HZTSKMPSIZMUFB-WSTZPKSXSA-N 451.575 2.161 30 10 JEEE CC[C@@H](C)N(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1291764742 FZCHUPIEXYZTQV-UXHICEINSA-N 478.645 2.336 30 10 JEEE CC[C@H](C)N(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1291764743 FZCHUPIEXYZTQV-VQTJNVASSA-N 478.645 2.336 30 10 JEEE CC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCOC(C)(C)C2)CCN1CCOC 1293541200 HZEPQZNUUMVTFO-QHCPKHFHSA-N 481.645 2.475 30 10 JEEE CCN(c1nnc(-c2cccc(C#N)c2)n1CC1(S(C)(=O)=O)CCCC1)[C@@H]1CCS(=O)(=O)C1 1295173360 BGSBBHYYVZGZCX-LJQANCHMSA-N 491.639 2.188 30 10 JEEE CN(C(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CCC#N)CC1CC1)C1CCCCC1 1297934755 DYEHAUQBXVTCNC-GOSISDBHSA-N 462.620 2.101 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc2c(cc1OC(F)F)OCO2 1300307674 IETWACFOWHERHZ-STQMWFEESA-N 468.482 2.017 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2CCCC2)c1 1300334057 HONZKIFTJUYFRP-IBGZPJMESA-N 455.584 2.427 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1CC(C)(C)CCOC)[C@H]1CCS(=O)(=O)C1 1300489277 LGXHUYOVIYABNH-SFHVURJKSA-N 474.583 2.363 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1cc(C)ccc1OC(F)F)[C@H]1CCS(=O)(=O)C1 1300496128 OGTVRDBBOUISBT-WMZOPIPTSA-N 480.537 2.367 30 10 JEEE C#CCSCCn1c(CCCc2ccccc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1300768566 UCTGYBVSQADJAK-HXUWFJFHSA-N 466.611 2.293 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCC(S(C)(=O)=O)CC1 1300872103 FCGNUNPAIBOIRC-QFBILLFUSA-N 467.636 2.191 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2OC)nnc1N1CCO[C@@H](CNC(C)=O)C1 1300898578 YQKKWUJLDCRUMP-NMMYMHLASA-N 485.585 2.188 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N(C)CCn1cccn1 1301484744 MDAYSDSOICOPIN-UHFFFAOYSA-N 450.366 2.404 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC2(O)CCS(=O)(=O)CC2)C1 1301542133 KEJLBTGTTJIIJD-INIZCTEOSA-N 484.981 2.459 30 10 JEEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1301595223 QASPOCQGIVUWER-UHFFFAOYSA-N 492.671 2.155 30 10 JEEE COCCN(Cc1ccco1)c1nnc(-c2ccc(C#N)cc2)n1CC1(C(N)=O)CCOCC1 1301787974 BYWOFBXCWIESHL-UHFFFAOYSA-N 464.526 2.345 30 10 JEEE CCOCc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CCc1noc(CC)n1 1314388742 CPKDTZUBAFNCKB-UHFFFAOYSA-N 454.510 2.340 30 10 JEEE CN(Cc1ccc(C#N)cc1)c1nnc(-c2cccnc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1314728896 HHOBKHSIOIEWII-LJQANCHMSA-N 451.556 2.130 30 10 JEEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1nc(C(F)(F)F)cs1 1315066526 AGZWNCGBISHVQZ-UHFFFAOYSA-N 485.517 2.478 30 10 JEEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCCCCC2=O)CCO1 1315932713 DARZVLXUVHBTFH-NRFANRHFSA-N 452.559 2.461 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)NS(=O)(=O)c3sccc3Br)cc2C1=O 1318171547 GCTUIDXGXKGLAL-UHFFFAOYSA-N 455.311 2.411 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1(S(C)(=O)=O)CCC1 1358885890 SYPJSGOTFJOHPA-INIZCTEOSA-N 468.583 2.100 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(OC)ccc2Br)n1C[C@H]1CCC(=O)N1 1358987598 MHKJBNAHSUBNJF-OAHLLOKOSA-N 456.344 2.458 30 10 JEEE C#CCN(CC)c1nnc(-c2cc(OC)ccc2Br)n1CCNC(=O)c1cc[nH]n1 1359002956 SVTLESDXFATBFF-UHFFFAOYSA-N 472.347 2.329 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1cccn(CC)c1=O 1359007775 VIVUYAZUUPCVIN-UHFFFAOYSA-N 457.538 2.364 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CC(F)(F)CO2)CC1 1359043442 UINRFKFFCHXXOX-LJQANCHMSA-N 454.481 2.207 30 10 JEEE C#CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1359058120 TTWKVIHRLJFBHW-BXWFABGCSA-N 464.613 2.415 30 10 JEEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1359086322 SBHVBAKJHFTQRM-UHFFFAOYSA-N 477.392 2.129 30 10 JEEE C=C(C)COCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1359133971 GIZARXVEJXNGDA-UHFFFAOYSA-N 488.583 2.484 30 10 JEEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1359219459 QUHQRSNQWJIRFI-UHFFFAOYSA-N 480.598 2.056 30 10 JEEE CC(C)CCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@]1(N2CCOCC2)CCSC1 1359929439 GGJXNIIVPCVZKS-CVDCTZTESA-N 475.663 2.203 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC1(S(C)(=O)=O)CCC1 1360480465 AGDWUJOPKDKFSZ-NRFANRHFSA-N 499.685 2.348 30 10 JEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1 1449146674 HTQRSDZHLJWSHC-HNNXBMFYSA-N 456.499 2.306 30 10 JEEE C#CCN(C(=O)N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O)[C@H]1CCS(=O)(=O)C1 1470077797 ZKESBSCHAMRMMB-HOCLYGCPSA-N 458.367 2.321 30 10 JEEE COc1ccc(CN2CC[C@H](NC(=O)N3CC(Oc4ccc(C#N)cc4)C3)C2=O)c(OC)c1 1470101931 FONDAHJRXSIJCK-NRFANRHFSA-N 450.495 2.149 30 10 JEEE C#CCN(c1nnc(C(C)C)n1C[C@@H](c1cccc(OC)c1)N(C)C)[C@H]1CCS(=O)(=O)C1 1507622060 FLOCTHVVQZMTBU-FPOVZHCZSA-N 459.616 2.340 30 10 JEEE C#CCN(c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCCNC(C)=O)[C@@H]1CCS(=O)(=O)C1 1507625779 AVBPYCCAZXBRBO-QFBILLFUSA-N 489.667 2.284 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC(C)(C)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1507631023 AZOKIDZEGVEIFX-ROUUACIJSA-N 495.646 2.450 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCc1nc(C(F)(F)F)cs1)[C@@H]1CCS(=O)(=O)C1 1507631767 SZGHUOSUPDEGCV-CQSZACIVSA-N 499.544 2.023 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(N(C)C)CCC1 1507701656 NMVWISXBOQHSBU-LJQANCHMSA-N 459.591 2.443 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C(C)C)N2CCCC2)CC1 1507734309 URHZJYFZGLQKQK-NRFANRHFSA-N 492.628 2.012 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 1507751804 REQPFDGULHIFKT-ROUUACIJSA-N 497.687 2.288 30 10 JEEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)NCc2ccc(F)cc2)CC1 1507832230 UZUCRVDVSHTSFG-IBGZPJMESA-N 475.590 2.428 30 10 JEEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1508084765 BPSULFFWGRLNOM-MRXNPFEDSA-N 460.529 2.142 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1508097658 JIKLUZBMPBNFFL-TUNNFDKTSA-N 485.633 2.218 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@](O)(Cc2cccc(Cl)c2)C1 1508097751 TUPHTOYEUZRQCU-XZOYJPPVSA-N 490.004 2.142 30 10 JEEE C=CCNC(=O)Cn1c(N2CC[C@@H]3OCCC[C@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1508098026 NAZKNBFLVYNZQJ-OKYOBFRVSA-N 474.606 2.356 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@](C)(N2CCOCC2)C1 1508106059 RHONNUGHICUUPT-VWLOTQADSA-N 468.602 2.330 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)C1CCC(NC(C)=O)CC1 1508135252 ZOKRFGRSTQORDD-UHFFFAOYSA-N 470.599 2.301 30 10 JEEE C#CCCCCn1c(N2CCN(C(=O)c3ccc(O)cc3)CC2)nnc1[C@@]1(OCC)CCOC1 1539086123 BOVGRXJFTYCHFI-RUZDIDTESA-N 467.570 2.402 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCc1ccccc1OC)[C@@H]1CCS(=O)(=O)C1 1539221595 QIRHVOYOLXDFPJ-TZIWHRDSSA-N 458.584 2.398 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1nnc2n1CCC2 1539323433 GLZHVYXWSPRIJA-IBGZPJMESA-N 478.601 2.442 30 10 JEEE C#CCN(CC#CC)c1nnc(Cc2ccc(Cl)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1539328768 ZGFFTXIPUCYTPB-IBGZPJMESA-N 460.003 2.267 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CC(F)(F)C2(OC)CCOCC2)CC1 1539481698 DFDFASUENAXRSP-UHFFFAOYSA-N 467.561 2.273 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@H](CC)NC(=O)OC(C)(C)C)CC1 1539482843 XNTLEUUTVPNXAF-OALUTQOASA-N 474.606 2.051 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2CC2(C)CCC2)CC1 1539487935 BMOJGGKWKXANCR-UHFFFAOYSA-N 454.600 2.426 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(F)c(F)c2)CC1 1539889703 ANEWSBNSPOAMDN-IBGZPJMESA-N 467.542 2.340 30 10 JEEE C=CCC(C)(C)Cn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1539917463 DMMYCMIEOPUVPS-UHFFFAOYSA-N 467.618 2.232 30 10 JEEE C=CCCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2c(F)cc(F)cc2C1 1540019800 DGSQWTJGTVNERB-CQSZACIVSA-N 455.531 2.322 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(C)COCCO1 1540121204 PULMVLLWZSFFLI-AUSIDOKSSA-N 476.599 2.187 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC(=O)NCC2CC2)C1 1540882844 PGZAXFLTHDERDU-FQEVSTJZSA-N 452.559 2.455 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 1540897526 LKJPTEXXDYPSEM-IBGZPJMESA-N 459.616 2.284 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC1Cc2ccccc2C1 1541115657 CMVQMTYEYOULQN-LAUBAEHRSA-N 472.615 2.012 30 10 JEEE COCCNC(=O)[C@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CCN1C(=O)c1ncccc1C 1548372694 VYOJCGARCYABHY-LJQANCHMSA-N 475.471 2.374 30 10 JEEE CCS(=O)(=O)NCCn1c(-c2cccc(Br)c2)nnc1N1CCC(C#N)CC1 1552378368 BVBCEOXJDDCROY-UHFFFAOYSA-N 467.393 2.387 30 10 JEEE COc1ccccc1OCc1nnc(N2CC[C@@](F)(C#N)C2)n1CCNC(=O)c1ccco1 1555101090 CJJSMBVBYPGREV-JOCHJYFZSA-N 454.462 2.331 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCOC)c1 1587693553 UJYZULXBQACCHB-HXUWFJFHSA-N 498.584 2.289 30 10 JEEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)Cc1cnccn1 1587718395 FBJNUUHVCMGABV-UHFFFAOYSA-N 453.572 2.425 30 10 JEEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCNC(=O)c1ccco1 1588398825 JITWZGRJCHGBMZ-QGZVFWFLSA-N 472.546 2.069 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@]2(OC(C)C)CCOC2)n1CCn1cncn1 1588473807 VKCMPXVJGITOSS-QHCPKHFHSA-N 453.522 2.389 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccc3F)n2C[C@]2(C)CN(C)C2=O)n1 1588723516 OCPNNJHGTWPYIA-DEOSSOPVSA-N 465.533 2.045 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](C(N)=O)C1 1593741318 MQJHBQVHBVGQHD-QZTJIDSGSA-N 462.595 2.297 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCOc1ccc(F)cc1 1593884171 DISQGZUJOZGONK-KRWDZBQOSA-N 473.958 2.018 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2csc(CC)n2)CC1 1594241355 NMKUURMORVKMCC-QGZVFWFLSA-N 466.633 2.081 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cccc(Cl)c2C)C1 1595729662 NQOQFAXRXIAORX-UYAOXDASSA-N 496.033 2.402 30 10 JEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 1595884675 QASHXNDIJBHETM-GOSISDBHSA-N 489.667 2.123 30 10 JEEE Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)Nc1ccc(Oc2ccc(C#N)cn2)cc1 1597981099 AANHJTLIPGFGMH-CQSZACIVSA-N 454.512 2.401 30 10 JEEE CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@H]2CC(=O)N(C(C)(C)C)[C@@H]2c2cnn(C)c2)c1 1645397239 VMLWQTKXQKUSDT-GCJKJVERSA-N 470.595 2.335 30 10 JEEE COc1ccc(S(=O)(=O)N2CCN(Cc3cn(C)nc3-c3ccc(C#N)cc3)CC2)cc1 1652066704 DYWQNDQQPJKYLC-UHFFFAOYSA-N 451.552 2.474 30 10 JEEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1689878705 SCKXZWXHDXDXLT-FGZHOGPDSA-N 487.626 2.383 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCOC)[C@H]1CCS(=O)(=O)C1 1689979621 FDVQZZJOHSZASZ-WBVHZDCISA-N 452.964 2.345 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CCCn2ccnn2)CC1 1690138309 YGMGBRAQAJHFEU-QFIPXVFZSA-N 460.586 2.468 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)CC1 1690146397 MTZBQHJHAOQDGK-PKOBYXMFSA-N 474.606 2.003 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)c1ncc(C)s1 1690205908 BOZFDTAAWFKHJW-QLVMHMETSA-N 478.644 2.172 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc(OC)c2)CC1 1690313509 WCDMGWVPKOGJLX-IBGZPJMESA-N 475.615 2.108 30 10 JEEE C=C(C)COCCn1c(N(C)[C@@H]2CCS(=O)(=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1690320151 LLLPWWWGEJHMBG-FGTMMUONSA-N 483.635 2.265 30 10 JEEE C=C(C)COCCn1c(N2CCN(c3cnccn3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1690320661 ZILGTRUCGDUGDR-HSZRJFAPSA-N 457.579 2.028 30 10 JEEE C=C(Cl)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1690328292 IUFZKFPVEKEAJF-OAHLLOKOSA-N 476.940 2.237 30 10 JEEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@](C)(C(N)=O)C1 1690346009 ISSGJOYOFGJOIA-XOBRGWDASA-N 454.959 2.041 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCNC(=O)c2cccc(OC)c2)CC1 1690411432 MAMCWXVSXVTPLI-IBGZPJMESA-N 473.599 2.021 30 10 JEEE C=CCn1c(CCc2ccccc2)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1690646759 KADORTBVNDIEAL-AQNXPRMDSA-N 487.626 2.376 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(NC(=O)Nc2ccc(F)cc2)CC1 1690670445 BRKPTUWCFMQUIB-QGZVFWFLSA-N 485.564 2.404 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(C(=O)NCCCC)CC1 1690672212 LNVGCQMASBQMGM-OAQYLSRUSA-N 482.585 2.226 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Br)cc2)nnc1N(C)C[C@@H]1CCOC1 1690675851 HLJTUYLLXNOVBE-HNNXBMFYSA-N 464.364 2.395 30 10 JEEE C=CCOc1ccccc1Cn1c(Cc2ccccn2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1690683652 QMXHFHZOGPNCRC-IBGZPJMESA-N 482.610 2.347 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2Cc2cccc(CS(C)(=O)=O)c2)C1 1690697178 PVSQVQXHPIKHBX-LJQANCHMSA-N 454.556 2.109 30 10 JEEE CC(=O)N1CCN(CCn2c(-c3cc(Br)c[nH]3)nnc2N2CCC(CC#N)CC2)CC1 1690865839 AFJKHMQHXREVNU-UHFFFAOYSA-N 489.422 2.330 30 10 JEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 1705533188 VETPPXFAGZQKRH-GOSISDBHSA-N 476.002 2.096 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCCN1CCN(CC)CC1 1705578170 IVZWWXFOUMRTLD-UHFFFAOYSA-N 462.598 2.207 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@H](C1CC1)N(C)C 1705580421 IXWTYNDBRCBNIR-JOCHJYFZSA-N 457.582 2.478 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2OCC[C@H]2COC)n1CC1(C(N)=O)CCOCC1 1705620758 FPZJPMSXPSBGSI-FPOVZHCZSA-N 485.560 2.063 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2Cc2ccc(S(C)(=O)=O)cc2)CC1 1705648478 TUVRZGZGVQVNFO-UHFFFAOYSA-N 469.611 2.353 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2Cc2cc(OC)c(OC)c(OC)c2)CC1 1705649433 XRQVEZAKTFTNFB-UHFFFAOYSA-N 490.564 2.380 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2cc(C)nc(N3CCCC3)c2)CC1 1705653001 VWNQLFQHMMJNTA-UHFFFAOYSA-N 465.602 2.132 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1705708361 BNJSDFAYHIQKIJ-DWLFOUALSA-N 471.583 2.333 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1705709453 PNGOOPGRIGGSHM-UGKGYDQZSA-N 471.606 2.176 30 10 JEEE C=C(C)COCCn1c(N2CCO[C@]3(CCO[C@@H]3C)C2)nnc1[C@]1(OC(C)C)CCOC1 1705740304 HPMAITLFJAALCT-PTUXOGIPSA-N 450.580 2.296 30 10 JEEE C=CCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1705822370 BWAWYRAZUOVQCX-OAHLLOKOSA-N 479.368 2.277 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CNC(=O)c2cccs2)n1C[C@]1(O)CCN(C)C1 1705860124 COGADMBKRNJECZ-VWLOTQADSA-N 491.621 2.400 30 10 JEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2ccc(F)cc2Cl)C1 1705891006 UVFNUZWSRJSRND-MSOLQXFVSA-N 485.969 2.167 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCN(Cc2c(CC)nn(C)c2Cl)CC1 1705897554 OFDPFKBUEUXVCN-INIZCTEOSA-N 463.030 2.365 30 10 JEEE CC(C)NC(=O)c1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1C[C@]1(O)CCO[C@@H]1C 1706595257 BBBWLWBUCATZSJ-MZNJEOGPSA-N 450.543 2.122 30 10 JEEE CCOC1CC(O)(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(CC(F)(F)F)CC2)C1 1710603081 IBHWINITFCGQQJ-UHFFFAOYSA-N 464.492 2.431 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1C[C@@H]1CC(=O)N(c2ccccc2)C1)[C@H]1CCS(=O)(=O)C1 1722365388 NMXIOBPJMBINDR-SBHAEUEKSA-N 469.611 2.471 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1C[C@H]1C 1722419979 FBYHDABBRRNGPR-POAQFYNOSA-N 461.563 2.046 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCOC[C@H]2CCOC2)CC1 1722440866 GBJFUBNRQIHKHS-YPAWHYETSA-N 459.635 2.395 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCOc2cccc(Cl)c2)CC1 1722441140 LYDIPYYLFNQMNQ-UHFFFAOYSA-N 484.988 2.212 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCN2CCCC2)CC1 1722444059 TUISSCMHROVLKL-UHFFFAOYSA-N 474.407 2.097 30 10 JEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(C(=O)NC2CC2)cc1 1722458493 LIBNATKZRCBERZ-IBGZPJMESA-N 452.584 2.124 30 10 JEEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1722621090 ZSFOQNNABAZZCG-QGZVFWFLSA-N 478.644 2.240 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(=O)NC)c1 1722676862 MWZFIRIFPRHXJZ-HXUWFJFHSA-N 483.594 2.416 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Br)nnc1N1CC[C@](C)(C(=O)NC)C1 1722726035 XGPACMBIZUXCAP-FQEVSTJZSA-N 496.431 2.271 30 10 JEEE CC(=O)N1CCC[C@H](Cn2c(CC(C)(C)C)nnc2N2CCN(c3c(C#N)c(C)nn3C)CC2)C1 1722763269 CGHQDRWIFQVOSY-FQEVSTJZSA-N 481.649 2.365 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CCCN1S(C)(=O)=O 1740555030 ZFKYPUKBAPTNQN-CEXWTWQISA-N 494.662 2.275 30 10 JEEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@H](N1CCOCC1)C(F)(F)F 1740601445 BZGMMJADKNOEQI-HNNXBMFYSA-N 475.313 2.379 30 10 JEEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCNC(=O)c1cccs1 1740610072 YKRLDQDOBCOGTP-UHFFFAOYSA-N 461.551 2.236 30 10 JEEE C#CCN(c1nnc(CCOc2ccccc2)n1C[C@](C)(O)c1ccco1)[C@@H]1CCS(=O)(=O)C1 1740626017 UVRVLLKAMCSUQI-DVECYGJZSA-N 484.578 2.027 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@@H](C)N(C)C1CC1)[C@@H]1CCS(=O)(=O)C1 1740627910 LCVUYDTWXUTJIC-TZIWHRDSSA-N 471.627 2.275 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2ccc(F)cc2)n1C[C@]1(N2CCOCC2)CCSC1 1740641463 LOVWMEINEVJXQM-XMMPIXPASA-N 453.587 2.289 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCc2coc(-c3ccc(C)cc3)n2)CC1 1740689047 OKQBXLYIJOMPQE-UHFFFAOYSA-N 461.570 2.378 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2Cc2nnc(C(C)(C)C)s2)CC1 1740702462 PRPLYWZBIKEZPN-INIZCTEOSA-N 489.646 2.165 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cc(C)on2)CC1 1740707831 RSHLJYYBWUBVHD-UHFFFAOYSA-N 459.510 2.039 30 10 JEEE C#CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1C[C@@H](COC)O[C@H](C)C1 1740715585 CJRFCIKIVMPPDV-CVEARBPZSA-N 454.556 2.200 30 10 JEEE C=C(C)COCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CC[C@@](C)(C(N)=O)C1 1740792335 HRXUQFGIWKQKHM-RUZDIDTESA-N 479.585 2.359 30 10 JEEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](O)(c2ccc(F)cc2)C1 1740858362 PNRBDDBIPZXRHD-IERDGZPVSA-N 451.568 2.482 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccnc2)n1CC1(O)CCS(=O)(=O)CC1 1740915390 FEAQQUAOQWFVMV-UHFFFAOYSA-N 483.594 2.481 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2CCCn2cc(CO)nn2)C1 1740975089 RVNMVUKOVZILAD-KRWDZBQOSA-N 491.394 2.002 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1740988802 PVPLXLFLQPZNQF-FQEVSTJZSA-N 497.625 2.450 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2c[nH]c3ccccc23)nnc1N1CCCN(C(C)=O)CC1 1740990007 FZUVDJTVWUWBGJ-UHFFFAOYSA-N 456.572 2.086 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 1740992087 MKGNOBVQKZFUHG-UHFFFAOYSA-N 491.633 2.498 30 10 JEEE CC(=O)N1CC[C@H](CN(C)c2nnc(COc3ccc(C#N)cc3)n2CC[C@@H]2CCOC2)C1 1741034445 RZXYOQSMWLLCHQ-NHCUHLMSSA-N 452.559 2.460 30 10 JEEE CC(C)C[C@H](Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCO[C@H](C#N)C1)N(C)C 1741423818 ACWPYCMBIFBKME-JWQCQUIFSA-N 494.688 2.348 30 10 JEEE CN(C)C(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 1747538152 HBUJAGIVFKSZQY-HXUWFJFHSA-N 482.585 2.229 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1748651859 SGJVFCOWYHWEDE-MJGOQNOKSA-N 494.625 2.307 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@H](C)COC)[C@@H]1CCS(=O)(=O)C1 1748805134 OVEDXBIFMCDTIJ-ZIFCJYIRSA-N 464.563 2.466 30 10 JEEE C#CCN(c1nnc(C2CCC2)n1CCCn1cc(Br)cn1)[C@@H]1CCS(=O)(=O)C1 1748814624 HPYJIZHGWAAOGA-QGZVFWFLSA-N 481.420 2.222 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H](Cc1ccccc1)OC)[C@@H]1CCS(=O)(=O)C1 1748819658 RDDACIRZHBWZOA-DHIUTWEWSA-N 479.606 2.148 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1c[nH]c2c(CC)cccc12 1748930055 WQFYOELLRAHPRG-OAQYLSRUSA-N 484.626 2.357 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(NC(C)=O)nc1 1748941118 XTCZLNHNHMRLEF-MRXNPFEDSA-N 499.572 2.069 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2Cc2csc([C@H](C)OC)n2)CC1 1749009667 DZBKXHVLUWNDEC-INIZCTEOSA-N 467.599 2.462 30 10 JEEE C#CCSCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCO[C@@H](CNC(C)=O)C1 1749031603 CCTXXQFOAHHARY-SFHVURJKSA-N 452.584 2.145 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1749141942 NFQUVQIWJUPQFX-WIYBCGNWSA-N 461.607 2.288 30 10 JEEE C=C(Cn1c(CN2CCCC2=O)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C)c1ccccc1 1749246042 FGQCAYNDOWXODW-UNMCSNQZSA-N 480.613 2.481 30 10 JEEE C=C(Cl)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(Cn2cncn2)CC1 1749255671 GUSVOWJFYBTOQD-UHFFFAOYSA-N 491.021 2.456 30 10 JEEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1749471116 JWXZASZOIFAOPG-UYAOXDASSA-N 493.655 2.175 30 10 JEEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1749663478 GRUQJFYXYVEQQX-OALUTQOASA-N 493.612 2.107 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1749679805 BFJCXOZTPBRQHD-TZIWHRDSSA-N 470.643 2.338 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2Cc2ccc(C(N)=O)nc2)C1 1749701271 RWHDLBGDDJOPMB-SFHVURJKSA-N 464.526 2.286 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1cccc(N(C)C)c1)[C@@H]1CCS(=O)(=O)C1 1760186935 BIJMLLJLWPBBNY-OAQYLSRUSA-N 464.595 2.390 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@]1(N(C)C)CCSC1)[C@@H]1CCS(=O)(=O)C1 1760192120 QYEZFVXMTXVZKZ-ZJSXRUAMSA-N 487.695 2.127 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2Cc2c(CC)nn(C)c2CC)CC1 1760273172 KJEHFTSAOJQNFI-OAQYLSRUSA-N 453.591 2.002 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCN(CCc2ccccc2)C1 1760290213 YXKDEVRTTMPEAF-UWDQQESISA-N 484.670 2.445 30 10 JEEE C=CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCS(C)(=O)=O 1760440410 JHYRFCKESPIEPE-MRXNPFEDSA-N 457.597 2.034 30 10 JEEE C=CCN(C)c1nnc(Cc2cn3ccccc3n2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1760466360 QUHHRCYYMZWFQG-HXUWFJFHSA-N 450.591 2.082 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 1761477385 CXGMHBAPIIMRLR-FUHWJXTLSA-N 495.650 2.275 30 10 JEEE COC(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCc2cnn(C)c2)C1 1769398050 HHURYOYUELIEDE-FQEVSTJZSA-N 463.542 2.484 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@H]2c2ccc(OC)c(O)c2)cc1C 1862404684 VTZAHCOJGSQOCK-NRFANRHFSA-N 454.479 2.432 30 10 JEEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCNC(C)=O)[C@H]2c2cc3c(cc2[N+](=O)[O-])OCCO3)c1 1862708770 DNGAVIAUUIXAOT-NRFANRHFSA-N 497.460 2.089 30 10 JEEE CC[C@@H](C)[C@@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)N1CCN(c2ccccc2OC)CC1 1869929755 MIVFDMFEOURNAU-VGOFRKELSA-N 470.595 2.497 30 10 JEEE C=CCN(CC=C)c1nc(NC(=O)c2cc(OC)c(OC)c(OC)c2)n([C@H]2CCS(=O)(=O)C2)n1 1870002690 VBWLKRXMOUZLMX-INIZCTEOSA-N 491.570 2.094 30 10 JEEE CC(C)OC(=O)c1ccc(Cn2nnc(C#N)c2NC(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)cc1 1870106594 AXEPRKCUWIRJOF-HNNXBMFYSA-N 486.488 2.386 30 10 JEEE N#Cc1c(NC(=O)COc2cn(CCc3cnc[nH]3)c(CSCCO)cc2=O)sc2c1CCC2 1870223876 QBQGNLZDLNFACN-UHFFFAOYSA-N 499.618 2.479 30 10 JEEE Cn1nnnc1SCc1cc(=O)c(OCc2ccc(C#N)cc2)cn1CCCN1CCCC1=O 1870233115 BOTFHKLZBPEWDG-UHFFFAOYSA-N 479.566 2.127 30 10 JEEE C=CCn1cc(OCC(=O)Nc2ccc(C(=O)OC(C)C)cc2)c(=O)cc1CN(CC)CCO 1870390476 LBCAXPFIMKODSJ-UHFFFAOYSA-N 471.554 2.431 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)N(C)Cc2ccccc2)cn1CCNC(C)=O 1870506980 MEXAHNXAYQTTTL-UHFFFAOYSA-N 466.582 2.196 30 10 JEEE CCCCCCCCN=c1nc(N2CCN(CCO)CC2)[nH]c(=Nc2cc(OC)cc(OC)c2)[nH]1 1871688033 VELADQUCKIXSPB-UHFFFAOYSA-N 487.649 2.363 30 10 JEEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)[C@@H](C)Oc3ccc4c(c3)OCO4)CC2)CC1 1891096571 OVIJOJXTINDHCD-OAQYLSRUSA-N 471.598 2.220 30 10 JEEE CN(CCN(C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1)C(=O)OCc1ccccc1 2247921849 WOAPHSXHMNPEHK-UHFFFAOYSA-N 456.352 2.060 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CC[C@@H]1NC(=O)OCc1ccccc1 2255635516 HPFXYDCTFHXUMY-ROUUACIJSA-N 468.363 2.215 30 10 JEEE CC(C)(C)OC(=O)N[C@@]1(CNC(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)CCOC1 2255709670 ZGOCAJUMVTVVCH-OAQYLSRUSA-N 452.382 2.461 30 10 JEEE C=C(CS(=O)(=O)NC[C@@]1(O)CCCN(Cc2ccccc2)C1)B1OC(C)(C)C(C)(C)O1 2255955944 WEUPPOXTNHGFFD-QFIPXVFZSA-N 450.410 2.121 30 10 JEEE C[C@H](NC(=O)COCCNC(=O)OC(C)(C)C)c1nscc1B1OC(C)(C)C(C)(C)O1 2256617641 LEDQVRWLQMEDHY-ZDUSSCGKSA-N 455.386 2.161 30 10 JEEE C[C@@H]1COC[C@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)s2)N1C(=O)OC(C)(C)C 2256628101 DWJKEMNIBHJCON-CHWSQXEVSA-N 453.370 2.405 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCOC[C@H]1NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2267368922 PYYRMDLQXQAHMD-LSDHHAIUSA-N 488.437 2.008 30 10 JEEE C[C@@H](c1nscc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)O 2268637652 OCCTZVXGJPJKKN-WOSRLPQWSA-N 469.413 2.236 30 10 JEEE CC(C)(C)OC(=O)N1CC(NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)c(Cl)c2)(C(=O)O)C1 2282398588 CAWJWFWPQOGPLB-UHFFFAOYSA-N 480.754 2.443 30 10 JEEE CC(C)(C)OC(=O)N[C@@]12C[C@H]1CN(S(=O)(=O)c1ccc(F)c(B3OC(C)(C)C(C)(C)O3)c1)C2 2282503403 ZMVFWOUDADJYHC-RCDICMHDSA-N 482.383 2.413 30 10 JEEE CC(C)(C)OC(=O)NC1(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cn2C2CC2)COC1 2282550235 WJCHBZUTDYGZDR-UHFFFAOYSA-N 461.368 2.146 30 10 JEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CCC(C)(C)N(C(=O)OC(C)(C)C)C2)n1 2282613860 NPIBIWIWMYFKMZ-CQSZACIVSA-N 463.388 2.022 30 10 JEEE Cn1cc(C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)nc1CNC(=O)OC(C)(C)C 2283983979 QPWNGUBVCXPSGG-UHFFFAOYSA-N 477.396 2.131 30 10 JEEE CC1(C)OB(c2cc(F)ccc2C(=O)NCCN(CC(=O)O)Cc2ccccc2)OC1(C)C 2284336340 GRHDWLNWMSIWQK-UHFFFAOYSA-N 456.323 2.442 30 10 JEEE C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)NCCc1c(F)cccc1B1OC(C)(C)C(C)(C)O1 2289648339 WVLFXUCDBGLPTM-KSSFIOAISA-N 466.359 2.058 30 10 JEEE O=C(C=Cc1ccco1)C1=C(O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccc([N+](=O)[O-])cc1 2314522720 VIWHMVQBUHFBFY-NRFANRHFSA-N 453.451 2.498 30 10 JEEE Cn1cc(C(=O)NC[C@H](NC(=O)OC(C)(C)C)C(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2336903416 QEJGKSUHTALNRU-HNNXBMFYSA-N 450.389 2.389 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(N2C[C@H]3[C@@H](CO)N(C(=O)OC(C)(C)C)C[C@H]3C2)n1 2362167452 JKQZOKCTOXTGEQ-BHIYHBOVSA-N 459.396 2.353 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@]2(F)C[C@H](NC(=O)OC(C)(C)C)C2)n1C 2362330755 CMXFIBZWSAZXDC-CAJLXGCNSA-N 466.363 2.153 30 10 JEEE CC(=O)Nc1cccc(NC(=O)CSc2nnc(N/N=C/c3cccc([N+](=O)[O-])c3)n2N)c1 20291809 MGZFCBILNFLAFY-UFFVCSGVSA-N 469.487 2.035 30 10 JEEE COc1cc(/C=c2\s/c(=C(/C#N)C(=O)C(C)(C)C)n(C)c2=O)cc(Br)c1O 21656258 GZOWIRKREVKKJO-AKZVIQTPSA-N 451.342 2.042 30 10 JEEE COC(=O)c1ccc([C@H]2/C(=C(/O)c3ccc(OC)cc3)C(=O)C(=O)N2CCN2CCOCC2)cc1 103224209 AGZHIRUEZSNZMK-VFJWVMJUSA-N 480.517 2.236 30 10 JEEE C=CCNC(=O)CN1CCN(C(=O)c2ccccc2NS(=O)(=O)c2cc(C)ccc2C)CC1 106054879 FYIMHLMGFOVAMC-UHFFFAOYSA-N 470.595 2.164 30 10 JEEE C=CCOC(=O)C1=C(C)N=c2sc(=Cc3cccnc3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 252676950 XYXBCDCYEIMCOW-JOCHJYFZSA-N 477.542 2.377 30 10 JEEE Nn1c(NN=Cc2cccc(O)c2)nnc1SCC(=O)Nc1cccc(N2CCCC2=O)c1 1084381237 GYQPBNLPEHIOAQ-UHFFFAOYSA-N 466.527 2.001 30 10 JEEE CC(=NNc1nc(Sc2nc3c(c(=O)n(C)c(=O)n3C)n2C)n[nH]1)c1ccc2ccccc2c1 1084510851 SHWQQBYZVBBTCP-UHFFFAOYSA-N 475.538 2.229 30 10 JEEE COC(=O)c1ccc(N2CCN(S(=O)(=O)c3cccc4cc(C)cnc34)CC2)c(C#N)n1 1184819232 CBGYYHGERYHOBE-UHFFFAOYSA-N 451.508 2.107 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](c2ccccc2OC)C1 1286349562 JYJRAKRAAIQYDW-RXVVDRJESA-N 473.599 2.027 30 10 JEEE C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@@H]1C[C@H]2CC[C@H]1C2)[C@@H]1CCS(=O)(=O)C1 1286384257 HAGYSJULOSHUKS-VYJAJWGXSA-N 450.605 2.065 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CCc1ccc2c(c1)OCCO2 1286418572 CWNBSTVSDYGBRF-UHFFFAOYSA-N 456.506 2.402 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCCc1cnn(C)n1 1286425942 DHRJQQWJYTYHKZ-UHFFFAOYSA-N 483.580 2.460 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCCn2cccn2)CC1 1286480379 MVHLXDCDPUYKHM-OAQYLSRUSA-N 482.633 2.435 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCN(C)C2CCCCC2)CC1 1286663912 RJLDVKBDDIALTQ-NRFANRHFSA-N 480.679 2.278 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCCN(C(=O)c2cccc(F)c2)CC1 1286785739 RKJZYPIFUIGLRT-UHFFFAOYSA-N 451.506 2.067 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cc2ccccc2o1 1286821075 ZPUFAOUOZNMFKB-QGZVFWFLSA-N 478.596 2.164 30 10 JEEE C[C@](O)(C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N2CCOCC2)CC1)C(F)(F)F 1288885225 CACDLPFKABXXPK-QFIPXVFZSA-N 492.502 2.205 30 10 JEEE Cc1nn(C)c(N2CCN(c3nnc(-c4ccc[nH]4)n3CC[S@@](=O)C(C)(C)C)CC2)c1C#N 1290576607 GQVPGGHXMGDXNZ-MGBGTMOVSA-N 469.619 2.061 30 10 JEEE CCc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1292614314 HTYPDRXULPQCKH-AZUAARDMSA-N 494.518 2.411 30 10 JEEE CCN(CC)C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(C(N)=O)CCOCC2)C1 1295505782 HRZJMFGBSZMVMN-FQEVSTJZSA-N 465.602 2.267 30 10 JEEE CCS(=O)(=O)NCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC(C#N)CC1 1297784346 AEBOITJPOLFUCK-SFHVURJKSA-N 495.650 2.072 30 10 JEEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 1300339465 NNPURJCOVSKYRF-UHFFFAOYSA-N 486.580 2.490 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(OC(C)C)c1 1300409007 DSNAQIBACYHIEN-NRFANRHFSA-N 475.615 2.448 30 10 JEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CCC(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 1300483943 PPKWMYXASNRJGS-GOSISDBHSA-N 463.991 2.140 30 10 JEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1Cc1ccc(C#N)o1)[C@H]1CCS(=O)(=O)C1 1300501190 HRJGVSJLBIQURU-IBGZPJMESA-N 479.562 2.212 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1cccnc1OCC(F)(F)F 1300519728 ALAJIELMAYUYNE-UHFFFAOYSA-N 493.453 2.378 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@](C)(O)c2cccs2)CC1 1300722469 KDIJUKGGIFMBKT-FDDCHVKYSA-N 457.600 2.455 30 10 JEEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1300839225 DUJPJYGLHLFUFX-UHFFFAOYSA-N 476.301 2.482 30 10 JEEE C=C(C)COCCn1c(-c2cc(Br)cn2C)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1300974870 OJKXJHSGFRZUSK-ZBFHGGJFSA-N 463.380 2.354 30 10 JEEE C=CC1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1301109013 FFEXRVCJUDKERV-OLFBTZAWSA-N 470.574 2.248 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c(C)nnc1N1CCN(c2nccn3cnnc23)[C@H](C)C1)C(C)C 1301366790 IIQINMCBUAULBR-TZIWHRDSSA-N 464.622 2.438 30 10 JEEE C=CCOc1ccc(Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCC(C(N)=O)CC2)cc1 1301528436 AYEZUACAMCDSIH-FPOVZHCZSA-N 455.559 2.317 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2cccc(C(N)=O)c2)C1 1301544232 UWSASQAPIQOHIU-HYBUGGRVSA-N 455.559 2.247 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2CCc2n[nH]c(C)n2)C1 1301544615 ZAOLYELRSLMOJN-HNNXBMFYSA-N 461.368 2.497 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](C(F)(F)F)C1 1301576957 CPWVYIBJWFPDSX-INIZCTEOSA-N 455.462 2.185 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCCN(c2nc(C)ns2)CC1 1301584554 BQSCRZJWEQCVGJ-UHFFFAOYSA-N 451.622 2.023 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCN(C(=O)COc3ccc(F)cc3)CC2)nnc1C(C)(C)C 1301596797 YYGVYPGJBJBOEQ-UHFFFAOYSA-N 493.605 2.043 30 10 JEEE C=CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](NC(C)=O)C1 1301600456 AHJLSPIXLCIFOX-SFHVURJKSA-N 463.629 2.373 30 10 JEEE CC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(N(C)C)CCOCC2)C1 1301817672 GNOPZPVGPSRKER-OAQYLSRUSA-N 451.575 2.032 30 10 JEEE Cc1ccc(NC(=O)c2nnc(N3CC[C@@](F)(C#N)C3)n2CCN2CCOC[C@@H]2C)cc1C 1304378586 DIHQFRNNOPFTST-FDDCHVKYSA-N 455.538 2.310 30 10 JEEE CCc1cnc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)s1 1305996891 DJZWHUFSPCRKGU-GOSISDBHSA-N 472.596 2.419 30 10 JEEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCC(C#N)CC3)n2CCc2ccc(F)cc2Cl)C1 1316353346 BZLCJIHKLLROQU-LJQANCHMSA-N 496.996 2.386 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(-c2ccsc2)nc1 1358889403 BKDRLEDYAFRGJZ-UZLBHIALSA-N 486.623 2.241 30 10 JEEE C#CCN(c1nnc(C(C)C)n1C[C@@H]1CC(=O)N(c2ccccc2)C1)[C@H]1CCS(=O)(=O)C1 1358955624 PVVPRWZTPTZRDG-QUCCMNQESA-N 455.584 2.081 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1CCC(=O)NCCC)[C@@H]1CCS(=O)(=O)C1 1358957915 CQFXJLDXJINCCM-MRXNPFEDSA-N 481.981 2.281 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@](C)(O)[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1358959206 DNROUDUQIBKNPK-VUMVONDWSA-N 490.626 2.386 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1cccc(C(F)(F)F)n1)[C@H]1CCS(=O)(=O)C1 1358961218 UNOOAQTWHNLLNX-KRWDZBQOSA-N 476.484 2.429 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1CCCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1358965571 XJKQHBVTHXIPJK-HXUWFJFHSA-N 459.591 2.121 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(-c3ccccc3)on2)n1CCN1CCCS1(=O)=O 1358992660 SCSCOOJXNYYETN-UHFFFAOYSA-N 464.551 2.099 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCC(=O)N3)n2Cc2cc(F)ccc2F)n1 1359028533 VSLZRWUWHFQALA-FQEVSTJZSA-N 469.496 2.038 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@](C)(O)CCC)CC1 1359029097 OMIRVVULBNJDJM-QHCPKHFHSA-N 458.994 2.168 30 10 JEEE C#CCSCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC(NC(=O)COC)CC1 1359054892 LKOUQIOXUQAOOU-UHFFFAOYSA-N 479.610 2.229 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1359133442 RVWASTYQRSOXAP-NHCUHLMSSA-N 474.650 2.334 30 10 JEEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1359134925 LVPJXMCHHPIZMA-IBGZPJMESA-N 459.558 2.233 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccnc(SCC)c2)CC1 1359165865 YYRJDPNXPUREBA-GOSISDBHSA-N 478.644 2.323 30 10 JEEE C=CCC(C)(C)Cn1c(N(C)C2CCN(S(C)(=O)=O)CC2)nnc1[C@]1(OCC)CCOC1 1359191660 IOYTUQCMCIBSNU-QFIPXVFZSA-N 469.652 2.393 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(Cn2cc(C)cn2)CC1 1359293945 FROVJXPEEPAMNM-UHFFFAOYSA-N 497.625 2.072 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1359296943 ZNPGVOJDRIVBJU-GOSISDBHSA-N 468.583 2.199 30 10 JEEE C=CCNC(=O)Cn1c(N(C)Cc2ccc(Br)o2)nnc1[C@]1(OCC)CCOC1 1359305797 NAKXMTVUTNUKHG-IBGZPJMESA-N 468.352 2.224 30 10 JEEE CC[C@H](C)[C@@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)C(=O)NCC(C)(C)C#N 1466792118 CCGJGYUIBWYOCX-SUMWQHHRSA-N 456.996 2.401 30 10 JEEE C#CCOc1ccccc1CNS(=O)(=O)c1ccc(S(C)(=O)=O)cc1Br 1474976505 WMWSGHGFTRSNQN-UHFFFAOYSA-N 458.355 2.343 30 10 JEEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C[C@@H](C)S1 1494251587 AQQZEEPAACIUBB-JFIYKMOQSA-N 460.629 2.428 30 10 JEEE COCCN(C)S(=O)(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)OC)C1 1504860012 GFTIZKWAHFTRPA-HXUWFJFHSA-N 490.630 2.119 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3COc4ccccc4O3)n2C[C@@H](CC)OC)CC1 1507737989 FLJHLBSKNDSTCH-WIYYLYMNSA-N 453.543 2.181 30 10 JEEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](Cc2ccccc2)C1 1507751396 NUHZGHVWXXIDMA-LEWJYISDSA-N 489.667 2.046 30 10 JEEE C=C(C)Cn1c(N2CCN(S(=O)(=O)c3ccccc3C)CC2)nnc1[C@]1(OCC)CCOC1 1507836258 CRHKJQZYYAIVPS-QHCPKHFHSA-N 475.615 2.326 30 10 JEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccc(F)cc2)CC1 1507933797 BJDXTFLJFOKVFQ-NRFANRHFSA-N 492.621 2.433 30 10 JEEE C=CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1508047750 HQJLGEDPUOGTKX-INIZCTEOSA-N 479.603 2.265 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N(CC)Cc1nc(O)c2sccc2n1 1508142145 QVJLOQCLRGYETM-CQSZACIVSA-N 478.600 2.120 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CCC(N2CCCC2=O)CC1 1508147500 AEDNXGASTWEAKD-UHFFFAOYSA-N 491.589 2.188 30 10 JEEE CNS(=O)(=O)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC(CC#N)CC1 1517631806 DVAPRXIYCNAAIM-KRWDZBQOSA-N 481.623 2.029 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCN(CCS(=O)(=O)c2ccc(Br)cc2)CC1 1521973954 GGQIODMFBHFAKB-OALUTQOASA-N 471.417 2.348 30 10 JEEE CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)N(C)c1ccc(C#N)nc1)n2C 1527339048 DEWOVPMVRBXBBC-UHFFFAOYSA-N 454.556 2.466 30 10 JEEE C=C(Cl)C[C@H](NC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c1)C(=O)OCC 1535344922 LDJSHGJHEMWLOP-DAYGRLMNSA-N 458.964 2.289 30 10 JEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](OCCC)CC1 1539072328 PKJLXXXHWRUYPW-VQTJNVASSA-N 467.636 2.200 30 10 JEEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)N(C)C2CCCCC2)CC1 1539119707 MKRLHBDOVGJCGW-OAQYLSRUSA-N 456.635 2.499 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1cccc(OCCN(C)C)c1)[C@@H]1CCS(=O)(=O)C1 1539220488 SUOOZGNBLMZSHF-OAQYLSRUSA-N 487.670 2.482 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1539285786 PRQLVIUDUWEIGS-ICSRJNTNSA-N 466.590 2.053 30 10 JEEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)c1nc(-c2ccccc2)no1 1539344007 VEQOPZKZSAJLRR-HZPDHXFCSA-N 457.560 2.202 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H](CC)NC(=O)OC(C)(C)C)CC1 1539482841 XNTLEUUTVPNXAF-MOPGFXCFSA-N 474.606 2.051 30 10 JEEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1539513521 KMIPIPCAJNFGEC-HXUWFJFHSA-N 454.600 2.312 30 10 JEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(OCCN(C)C)cc2)CC1 1539828809 PIWGGZKKZKHQQT-GOSISDBHSA-N 462.620 2.033 30 10 JEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(C)(C)N2CCC(OC)CC2)CC1 1539874022 JCOIAFINWZLWRR-QGZVFWFLSA-N 468.668 2.180 30 10 JEEE C=CCCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1539954593 ALFZFXKCFURRRE-UHFFFAOYSA-N 487.004 2.462 30 10 JEEE C=CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1539973674 BITXNAHMEBBPLK-HSZRJFAPSA-N 485.614 2.440 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1540867259 PUVQVTOQKIWURT-UHFFFAOYSA-N 451.531 2.034 30 10 JEEE COC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCN(C(C)C)CC2)C[C@H](C)O1 1555388507 HDGCWXKRVRTAQD-SIKLNZKXSA-N 468.602 2.292 30 10 JEEE COCCN(CCC#N)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H]1CCCS(=O)(=O)C1 1555556614 FIECEWCLEDOEPV-LJQANCHMSA-N 483.598 2.322 30 10 JEEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C)c2cccc(SC(F)(F)F)c2)CC1 1565370632 HPPGCRZGWONJHS-CYBMUJFWSA-N 450.508 2.154 30 10 JEEE C#CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCN(CC)C(=O)C1 1587769093 BRFGNSUSRIPQOE-LJQANCHMSA-N 474.606 2.449 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](SC)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1588029391 HFKFEHYOHPKEFK-DLBZAZTESA-N 490.655 2.330 30 10 JEEE C#CCN(c1nnc(C2CCCC2)n1CCCNC(=O)c1occc1C)[C@H]1CCS(=O)(=O)C1 1588053943 JAJDOWLTFDWYHZ-IBGZPJMESA-N 473.599 2.284 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@](C)(O)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1588065437 YQFPKYQDSMFPLH-QPPBQGQZSA-N 471.627 2.222 30 10 JEEE C#CCN(c1nnc(COc2ccccc2OC)n1CCc1ccncc1)[C@@H]1CCS(=O)(=O)C1 1588069414 NFIGUEFWOCJYGH-HXUWFJFHSA-N 481.578 2.130 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@](C)(O)CCOC 1588133233 BDUXDNKFSXNAES-NTKDMRAZSA-N 459.591 2.253 30 10 JEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](c2cccc(OC)c2)N(C)C)CC1 1588865229 QUXXPKCLNXUKPF-XMMPIXPASA-N 476.629 2.206 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2Cc2ccc(C[S@@](C)=O)cc2)CC1 1588946683 HIXAZAFLFMBBBV-PGUFJCEWSA-N 490.633 2.157 30 10 JEEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1589053510 PPKWMVYPRYXSIN-UHFFFAOYSA-N 472.615 2.455 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1589567569 FEYNYKANOZTPMK-FUCAVZNHSA-N 488.677 2.422 30 10 JEEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1594812582 HRPUIEKFEBHGSQ-GOSISDBHSA-N 457.535 2.395 30 10 JEEE C=CCCOCCn1c(N2CCN(C(=O)OC)[C@@H](C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1594829394 JEWQFAJBSKYQAY-PGRDOPGGSA-N 451.568 2.188 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CCCOC 1595543838 AIIYFPAFXDAIMA-KRWDZBQOSA-N 450.584 2.168 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCc2cc(OC)c(OC)cc2CC1 1595543920 BNOVINILSKSUIF-LJQANCHMSA-N 455.559 2.444 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(N(C)C(C)=O)CC1 1595778268 XOPNBHVGDSVUFI-UHFFFAOYSA-N 491.614 2.010 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCC[C@@H](NC(=O)CC)C1 1595805246 MHQLPIMCGSRMFN-HXUWFJFHSA-N 459.616 2.273 30 10 JEEE CC(C)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC2(O)CCOCC2)[C@@H](C)C1=O 1607567016 HHXYFSSQGAFNHK-FQEVSTJZSA-N 496.612 2.353 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1cc(Br)cs1 1611686304 DKROLAPDSZOYQJ-MEBBXXQBSA-N 477.385 2.203 30 10 JEEE CCOC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CN(CC(C)C)CCO2)CC1 1615991896 IAVIDUSLAWREEY-JOCHJYFZSA-N 481.601 2.452 30 10 JEEE CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCc2cccc(C)n2)CCO1 1618709099 IEBBVCDLYPXWIA-QFIPXVFZSA-N 475.553 2.016 30 10 JEEE COCC(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCOC[C@@H]2C)CC1 1619556833 CXYWSJIMTGNTIM-ICSRJNTNSA-N 482.585 2.133 30 10 JEEE Cc1c(C#N)c(NC(=O)CN2CC[S@](=O)C[C@H]2c2cnn(C)c2)n(-c2ccccc2)c1C 1645495464 BBCCZRJCJICZIW-MNAQKMTRSA-N 450.568 2.443 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@@H](C)CN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1689992354 JWGSDLQSVDTGLF-RBBKRZOGSA-N 485.654 2.236 30 10 JEEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CC=CCC1)[C@H]1CCS(=O)(=O)C1 1689996765 NYHJOAXGEHCKMT-ROUUACIJSA-N 473.624 2.253 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@H]2CCCOC2)CC1 1690138185 UTIIGMYKHKJTET-GOSISDBHSA-N 497.596 2.363 30 10 JEEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1690165804 KFIFAFRJVOYKTB-QGZVFWFLSA-N 470.599 2.369 30 10 JEEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1690182708 DWFSXLBBLSOWAV-KNQAVFIVSA-N 466.611 2.252 30 10 JEEE C#CCSCCn1c(N2CCC[C@@H](C(=O)NC3CC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1690186810 UXXXXFZFKWJHTQ-WZONZLPQSA-N 461.632 2.180 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCC(=O)N1CCOCC1 1690195645 NBTZJEVIWXBKOG-RUZDIDTESA-N 483.569 2.212 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2cccc(C)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1690253477 RAYQRWDZKJZMDL-SFLYRZDNSA-N 469.586 2.488 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1690278959 ZBBFZLZHDVPJDN-SFHVURJKSA-N 473.559 2.041 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCC(=O)N2)n1CCN1CCN(C)C(C)(C)C1 1690565742 RPLZGSMBVDPLHV-OAQYLSRUSA-N 451.619 2.448 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCC(N2CCNC2=O)CC1 1690681531 SOCZHKMVUPBUMZ-UHFFFAOYSA-N 467.574 2.023 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](OC(C)(C)C)C1 1690713964 ANFJSWBSWYFCTO-KRWDZBQOSA-N 476.603 2.310 30 10 JEEE C[C@@H]1CCC[C@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CC(N)=O)CC1 1693644444 ATZPLGNCXUCZOH-OSPHWJPCSA-N 452.559 2.372 30 10 JEEE COCCN(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC2(CCOCC2)C1 1698032496 AGLAKGZIVWGAMW-UHFFFAOYSA-N 454.575 2.314 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1Cc1ccc(Cl)nc1)[C@H]1CCS(=O)(=O)C1 1705568085 HMPIYHDKNHHHIZ-IBGZPJMESA-N 496.980 2.452 30 10 JEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1(C)CCOCC1 1705574572 HLDZWKMGJAHDCH-UHFFFAOYSA-N 454.600 2.436 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(O)CCCCC1 1705619146 IPOZLUMCSWSRSJ-QGZVFWFLSA-N 463.579 2.362 30 10 JEEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@H]1CCN(c2ccccc2F)C1 1705630448 UDBJCNQKQYUINZ-IBGZPJMESA-N 454.550 2.152 30 10 JEEE C=C(Cl)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1705758278 PBEGXNSYHLOFJC-IBGZPJMESA-N 475.041 2.462 30 10 JEEE C=CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 1705889274 FDTNWUOFGXZFKA-NRFANRHFSA-N 485.614 2.194 30 10 JEEE COCC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CSCCS2)CC1 1712108302 HBDSDGLHWXYVLJ-LJQANCHMSA-N 472.640 2.397 30 10 JEEE C#CCCCCn1c(N2CCN(C(=O)c3ccccn3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1722321825 BZKGAPRDNMXQCF-VWLOTQADSA-N 466.586 2.480 30 10 JEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1722325333 JGJUXERZVZPZDG-PWRODBHTSA-N 457.600 2.328 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1CCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1722359302 LFRQHNGJDKPBTK-SFHVURJKSA-N 479.553 2.269 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@](C)(O)[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1722364195 XWVOIUMNQYLXLH-KDLAUNOPSA-N 488.610 2.140 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@]1(C)CCO[C@H]1C1CC1 1722375450 OPSXLAMQHOLJQN-WIOPSUGQSA-N 481.622 2.473 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCN(C)[C@H](C)CC)CC1 1722437384 MEYMHMXJVGTMFY-RTWAWAEBSA-N 489.665 2.072 30 10 JEEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccsc2Br)CC1 1722440223 GHGCQPGZDNZEPE-UHFFFAOYSA-N 463.405 2.028 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1722453572 YEUOFRIYZXCXBW-OAHLLOKOSA-N 467.521 2.365 30 10 JEEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1722536485 XAENVOZROOELQT-SFHVURJKSA-N 472.615 2.454 30 10 JEEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(c2ccc(F)cc2)CCOCC1 1722631317 JZTDODIIQGLEOK-MRXNPFEDSA-N 451.568 2.398 30 10 JEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 1722685289 CDTSGKSIJZVXEO-MJGOQNOKSA-N 477.562 2.035 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Br)c2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1722724484 XTGJISFCGMAZCU-NVXWUHKLSA-N 494.415 2.023 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(c2ccccc2OC)CC1 1722728017 SPBVOYFVMXNONZ-OAQYLSRUSA-N 475.615 2.456 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Br)cc2)nnc1N1CCO[C@H](C#N)C1 1722749175 FYFXTUOYOUMFBS-MRXNPFEDSA-N 466.361 2.037 30 10 JEEE CN(C)C(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1729300327 ANVATUFPQXMDNN-LJQANCHMSA-N 458.588 2.089 30 10 JEEE C#CCN(CC#C)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1C[C@H]1CCS(=O)(=O)C1 1740630539 CFHVAVQPNGHUOO-RBUKOAKNSA-N 456.568 2.324 30 10 JEEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCCN1c1cnn(C)c1 1740673646 BFSSSTROLTWGNV-QGZVFWFLSA-N 452.588 2.132 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCCN(C)CC(F)(F)F)CC1 1740696619 ZATXCUNWCWZBMQ-FQEVSTJZSA-N 478.519 2.430 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@H](C)N2CCC(C)CC2)CC1 1740707373 ZQSXNLCHQPEADD-NRFANRHFSA-N 463.630 2.350 30 10 JEEE C#CCSCCn1c(-c2ccccc2OC)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1740715223 VDRCDBWXYNQUER-HSZRJFAPSA-N 468.583 2.135 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1740761286 MTELFYQUNWDXBU-GIWBLDEGSA-N 474.650 2.491 30 10 JEEE C=C(C)COCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC(NS(C)(=O)=O)CC1 1740786667 LHBIGVGOHPPTNR-UHFFFAOYSA-N 490.630 2.258 30 10 JEEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CCOC)CC1 1740822718 OHJUUZPMLCKQPF-KRWDZBQOSA-N 471.002 2.107 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 1740965786 MQOTUOLFSIMYFR-BXWFABGCSA-N 497.522 2.361 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1740989406 MEMCZKVURKHBDW-FPOVZHCZSA-N 459.616 2.011 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc(COc2ccc(Br)cc2)n1CCNC(=O)c1cc[nH]n1 1741134738 HTCWOXQZBBTDOP-AWEZNQCLSA-N 487.362 2.369 30 10 JEEE CCS(=O)(=O)CCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCC[C@@H](O)C1 1747409888 AEHYMUPSFHMRHA-RBUKOAKNSA-N 461.588 2.151 30 10 JEEE CN(C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCOC2)CC1)S(C)(=O)=O 1747662101 AEEYIYLXYPJNTK-IBGZPJMESA-N 488.614 2.016 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(Br)c2)n1CC(=O)NCC1CC1 1748835445 CLBVNGYCBNLPMC-UHFFFAOYSA-N 456.344 2.315 30 10 JEEE C#CCN(CC#CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1Cc1nnc2n1CCC2 1748890167 KFBMMNDBIVGPAI-UHFFFAOYSA-N 478.601 2.442 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(c2ccccc2OC)CCC1 1748962391 GVGPDPVZUIAUMJ-IBGZPJMESA-N 472.611 2.397 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCCc2cnn(C)n2)CC1 1748979341 YQZZMZPEQAHJGC-GOSISDBHSA-N 452.538 2.074 30 10 JEEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)NCCCC)CC1 1749098299 VPFQYEWVNNGYMM-OAHLLOKOSA-N 453.385 2.271 30 10 JEEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1749414249 CUULWLGAJDVAFG-GOSISDBHSA-N 458.588 2.355 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1c2ccccc2C[C@H]1C 1749575864 YIPJZVPALXHXIQ-KNQAVFIVSA-N 486.642 2.241 30 10 JEEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ncc(Cl)cc2Cl)CC1 1749606093 HWNPBFSQJFGWBJ-LBPRGKRZSA-N 460.391 2.103 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1749726119 XRSRZYJLFHOZEB-CABCVRRESA-N 475.036 2.457 30 10 JEEE CC(=O)N1CCCN(c2nnc(Cc3ccc(Cl)cc3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1749835532 MSESDGFZNMJLRF-FCQUAONHSA-N 497.987 2.107 30 10 JEEE CS(=O)(=O)N1CC[C@H](Cn2c(CCc3ccccc3)nnc2N2CCC(CC#N)CC2)C1 1750208326 CKHHKGNFDRFHPT-NRFANRHFSA-N 456.616 2.475 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1csc2ccccc12 1760115898 CUKBCQKPJAJUKC-CRAIPNDOSA-N 459.597 2.332 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2CC2(C(=O)N(C)C)CCCC2)c1 1760128870 VCZUWCKMEFTFKG-HXUWFJFHSA-N 478.597 2.487 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1760183137 MVUGKCNCPSBKSF-RTBURBONSA-N 459.528 2.049 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1CCN(C)[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1760185117 PZFXHVWIJFFUKC-RTBURBONSA-N 459.616 2.311 30 10 JEEE C#CCN(c1nnc(CC2CCCC2)n1CCNC(=O)c1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1760191539 JIGCERQPZZLQIQ-LJQANCHMSA-N 487.601 2.207 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1760218379 FOANHQJXUREANT-ACRUOGEOSA-N 459.616 2.187 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2C[C@@H]2CC(F)(F)CO2)CC1 1760271292 SONZLBOZAXIKOY-FQEVSTJZSA-N 473.524 2.290 30 10 JEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC(C)(C)O[C@@]2(C[C@@H]3CC[C@H]2C3)C1 1760274125 GJDDYSQVTPHKIY-SUWCGCSTSA-N 481.688 2.429 30 10 JEEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1760275999 QITSZMMEOIVMKC-GOSISDBHSA-N 490.651 2.489 30 10 JEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)NCc2ccc(C)cc2)CC1 1760281243 PJYYQFWAUZUNGA-NRFANRHFSA-N 480.638 2.437 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCN(C(C)=O)C1 1760483379 NNBCJFGSLLOJIO-HKUYNNGSSA-N 492.621 2.479 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1760526688 ROLLLLBHLZSIOR-LJQANCHMSA-N 475.615 2.080 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2CCCCS2(=O)=O)C1 1760536320 GUWGRSMURZLZLK-KNKQGSTJSA-N 468.620 2.067 30 10 JEEE C=CCS(=O)(=O)CCn1c(CSc2ccc(C)cc2)nnc1N1CCO[C@]2(CCOC2)C1 1760558471 PSZNXNHGTJPJKV-JOCHJYFZSA-N 478.640 2.475 30 10 JEEE CCN1CCN(CCCn2c(-c3ccc(C#N)cc3)nnc2N2CCCC[C@H](S(C)(=O)=O)C2)CC1 1765569641 DCLBDRNGYLLWTF-QHCPKHFHSA-N 499.685 2.248 30 10 JEEE O=C(C1=C(O)C(=O)N(CCCN2CCCC2=O)[C@@H]1c1ccc(O)c(O)c1)c1ccc2c(c1)OCO2 1862626954 JEOKPLLAMDAVSA-JOCHJYFZSA-N 480.473 2.417 30 10 JEEE C=CCN(CC=C)C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)C1CCC(N2CCN(C)CC2)CC1 1869060759 CFDXIRPLDBSMQW-RVMZIBIISA-N 468.642 2.426 30 10 JEEE CCCOc1c(Br)cc(/C=N/n2c(COC)nnc2SCC(N)=O)cc1OC 1874498626 ANHMOKAKLDHDES-DNTJNYDQSA-N 472.365 2.444 30 10 JEEE C=C(Br)CS(=O)(=O)N[C@H]1CCC[C@H]1N1CCN(C(=O)OC(C)(C)C)CC1 2118088360 TWLYHEYUNHZBAT-LSDHHAIUSA-N 452.415 2.288 30 10 JEEE CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2180966215 BKONCQUEJPEJJX-KRWDZBQOSA-N 462.352 2.058 30 10 JEEE CCn1cc(C(=O)N[C@H]2C[C@@H](NC(=O)OCc3ccccc3)C2)nc1B1OC(C)(C)C(C)(C)O1 2255654062 RHFZVACRRKPQRN-HDICACEKSA-N 468.363 2.389 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2255832163 IJOSJYNXGWOSGP-OAHLLOKOSA-N 452.382 2.413 30 10 JEEE C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1csc(B2OC(C)(C)C(C)(C)O2)c1 2256621135 QTAMBWHRRGVEKJ-CZUORRHYSA-N 454.398 2.280 30 10 JEEE C[C@@H](NC(=O)[C@@H](CO)CNC(=O)OC(C)(C)C)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2256678896 RTSRIYFNVDOKPL-ZIAGYGMSSA-N 454.398 2.358 30 10 JEEE COC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2267176313 YPGJDCREGTXZBN-AWEZNQCLSA-N 467.397 2.150 30 10 JEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)o1 2267290457 CZOPFOZSRRTZPC-GDBMZVCRSA-N 450.341 2.333 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1S(=O)(=O)NC[C@H]1C[C@H]1NC(=O)OC(C)(C)C 2267463514 BCTZRYHPPXMSRB-NVXWUHKLSA-N 466.409 2.486 30 10 JEEE Cc1c(C(=O)N2C[C@H]3C[C@H]2[C@H]3NC(=O)OCc2ccccc2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2267503830 KAIFXADNBUKFHS-HBFSDRIKSA-N 480.374 2.167 30 10 JEEE C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)CO1 2268635181 OMKOPWHXPFJJEQ-ZIAGYGMSSA-N 467.397 2.083 30 10 JEEE Cn1cc(C(=O)NCCC2CCN(C(=O)OC(C)(C)C)CC2)c(B2OC(C)(C)C(C)(C)O2)n1 2281967018 MRNPIEQLADAPEI-UHFFFAOYSA-N 462.400 2.486 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2C[C@@H]2[C@@H]1CNC(=O)OC(C)(C)C 2281971995 YRFHPSCHFPZLTC-ZOBUZTSGSA-N 460.384 2.187 30 10 JEEE CC(C)(C)OC(=O)N1[C@H](CNC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)C[C@@H]2OCC[C@H]21 2282021757 PKTUEXNBCHEVJW-IMJJTQAJSA-N 479.408 2.339 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@]2(F)CCCN(C(=O)OC(C)(C)C)C2)n1 2282046239 IPEZDKMISCXJGK-QFIPXVFZSA-N 466.363 2.188 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@]2(C[C@H](NC(=O)c3ccoc3B3OC(C)(C)C(C)(C)O3)CO2)C1 2282054912 WXPGQQDFJFBBHY-NPMXOYFQSA-N 462.352 2.477 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2F)[C@@H](O)C1 2282411626 JODVCMIQSSFIEJ-ROUUACIJSA-N 464.343 2.225 30 10 JEEE Cn1cc(C(=O)N2CCCC[C@H](CNC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2282553258 WMDRURHNISAKTI-MRXNPFEDSA-N 462.400 2.486 30 10 JEEE CCc1nn(C)c(C(=O)N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2282558630 DCPDRLWEAPXVMO-OAHLLOKOSA-N 462.400 2.411 30 10 JEEE Cn1cc(C(=O)N2CCC[C@H]3[C@@H]2CCN3C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2282577192 BDFHMESZWMNVDA-IRXDYDNUSA-N 460.384 2.333 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CCN(C(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)CC[C@H]2C1 2282579680 IAVFOPKYXKOVSC-HOTGVXAUSA-N 460.384 2.428 30 10 JEEE C[C@H](O)CN(CCNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Cl)C(=O)OC(C)(C)C 2282605938 MQIJHSPQPDAOLA-AWEZNQCLSA-N 483.802 2.382 30 10 JEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1ncc(C)cc1B1OC(C)(C)C(C)(C)O1 2282646121 XIEJQZSTSRLBOE-DLBZAZTESA-N 461.368 2.053 30 10 JEEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CN(C(=O)OCc2ccccc2)CC12CCC2 2282684782 WFWZXKFDKJZFGT-GOSISDBHSA-N 495.389 2.035 30 10 JEEE C[C@@H]1C[C@H](NC(=O)C(F)(F)F)CN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2282842704 BPUYNBTYMBEQIM-OCCSQVGLSA-N 496.382 2.266 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H](NS(=O)(=O)c3cncc(B4OC(C)(C)C(C)(C)O4)c3)[C@H]1C2 2282864108 ZCMSLBQYJUXSKO-JCGIZDLHSA-N 479.408 2.057 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(O)cc1O)C1CC1 2282970065 KEIRHUDODGFVOR-INIZCTEOSA-N 462.352 2.430 30 10 JEEE COC(=O)[C@H](CC(=O)NCc1sc(B2OC(C)(C)C(C)(C)O2)cc1C)NC(=O)OC(C)(C)C 2283915993 LPYIJMHXKZVBPM-AWEZNQCLSA-N 482.408 2.428 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2283947225 XUAPRPBYUJPXLR-INIZCTEOSA-N 457.340 2.178 30 10 JEEE COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1NC(=O)C1(CO)CN(C(=O)OC(C)(C)C)C1 2283965754 YLILYQHQTJOBOE-UHFFFAOYSA-N 462.352 2.162 30 10 JEEE C[C@H](c1cscc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C 2283980126 WPSKVXYSEDVILD-CJNGLKHVSA-N 481.424 2.335 30 10 JEEE Cc1nc(NC(=O)[C@]2(N(C)C(=O)OC(C)(C)C)CCOC2)ncc1B1OC(C)(C)C(C)(C)O1 2283986545 RMFDWDPHOWRFCW-QFIPXVFZSA-N 462.356 2.049 30 10 JEEE CC(C)(C)OC(=O)N[C@H](C(=O)N1CCc2c(B3OC(C)(C)C(C)(C)O3)cccc21)C1COC1 2284019191 ZPPGXBIEJVKWED-IBGZPJMESA-N 458.364 2.415 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCOCC[C@H]1C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2284022582 LIRXFKGQNZEXFO-HZPDHXFCSA-N 481.424 2.378 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)N2CCc3cc(B4OC(C)(C)C(C)(C)O4)ccc32)C1 2284045056 IJEJVYCOKYBXQC-DEOSSOPVSA-N 458.364 2.247 30 10 JEEE COc1ccc(OCCCc2nnc(SCC(N)=O)n2N=Cc2ccccc2C(=O)O)cc1 2326251886 PAORUILIGCXQEW-UHFFFAOYSA-N 469.523 2.456 30 10 JEEE Cc1c(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)OCc2ccccc2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2334270162 KAIFXADNBUKFHS-CMKODMSKSA-N 480.374 2.167 30 10 JEEE CN[C@@H](C#Cc1cnn(CCOC)c1)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2340526266 UIEJASISXDVQOJ-XZOQPEGZSA-N 455.603 2.494 30 10 JEEE O=C(CN1CCC(C(=O)N2CCCC2)CC1)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2)c1 29158629 FYYMRLHJFWWYNJ-UHFFFAOYSA-N 489.642 2.210 30 10 JEEE CCCNC(=O)CN1CCN(/C(=N\c2cccc(C(=O)O)c2)NCc2cccc(OC)c2)CC1 46022076 LPZSORJEKJCZMI-UHFFFAOYSA-N 467.570 2.315 30 10 JEEE O=[N+]([O-])c1ccccc1-c1ccc(C=NNc2nc(N3CCOCC3)nc(N3CCOCC3)n2)o1 254871671 FNPAWDKFSGTIRJ-UHFFFAOYSA-N 480.485 2.159 30 10 JEEE Cc1ccc(-n2c(=C(C#N)C(=O)N3CCCC3)sc(=Cc3cnn4ccccc34)c2=O)c(C)c1 729668186 ACMDIHRXHXUBRS-UHFFFAOYSA-N 469.570 2.289 30 10 JEEE C=CCn1nc(C)c(C=NNc2nnc(SCC(=O)Nc3cc(OC)ccc3OC)n2N)c1C 1083890381 ZALHDYNYHGLHGR-UHFFFAOYSA-N 485.574 2.185 30 10 JEEE COC(=O)c1ccc(C=NNc2nnc(SCCC(=O)Nc3cc(OC)cc(OC)c3)n2N)cc1 1084163504 CJTRMAQJALFIPL-UHFFFAOYSA-N 499.553 2.363 30 10 JEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC(Nc3cc(OC)cc(OC)c3)CC2)cc1 1137316716 ZMWNAUUCWHLCHH-UHFFFAOYSA-N 457.552 2.332 30 10 JEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCN([C@@H]2CCC[C@H]2O)CC1 1142957547 GMSJXDGKXWHHDQ-IAGOWNOFSA-N 452.349 2.156 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCNC(=O)C(C)C 1286425910 BSOICJYDMKIKJZ-UHFFFAOYSA-N 473.581 2.300 30 10 JEEE C=C(Br)Cn1c(N(C)[C@H](C)CS(C)(=O)=O)nnc1[C@@]1(OC(C)C)CCOC1 1286547432 LWZSLLWPNLVXNL-RHSMWYFYSA-N 465.414 2.097 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1286554568 YMHGZCCNXHLNCX-AZUAARDMSA-N 470.574 2.001 30 10 JEEE C=C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCCN2CCN(CC)CC2)CC1 1286636591 DOSGSMDYJASSSA-UHFFFAOYSA-N 452.607 2.500 30 10 JEEE C=CCCOCCn1c(-c2noc3c2COCC3)nnc1N1CCC(O)(C(F)(F)F)CC1 1286710286 SCIXMFLKJASAPK-UHFFFAOYSA-N 457.453 2.492 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N(CCO)Cc1ccc(Br)s1 1286785168 GSJUHSIKJTVDNZ-UHFFFAOYSA-N 479.404 2.409 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1286792294 UECAWWZZMZMILT-IBGZPJMESA-N 466.586 2.271 30 10 JEEE Cc1nn(C)c(C)c1CN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H](C)N1CCOCC1 1290548543 DAGPLDPHNGTWAU-GOSISDBHSA-N 478.601 2.436 30 10 JEEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN(C)C2CCCC2)C1 1296328884 FNQADZDHGMQFSL-OAQYLSRUSA-N 471.631 2.209 30 10 JEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)=C(Br)C1 1300365350 UZMPDWIRFIYFSF-QGZVFWFLSA-N 486.436 2.294 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1CCN1CCCCCC1)[C@H]1CCS(=O)(=O)C1 1300504674 QAIXAJXYNZPDIE-FQEVSTJZSA-N 489.617 2.499 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1300539043 WWXYWSIUXVBNBS-VQTJNVASSA-N 475.471 2.127 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@]1(C)CN(C)C1=O 1300578872 IXDUOZJGMWXMPA-SANMLTNESA-N 471.565 2.006 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@H]2CCN(CC)C2)CC1 1300727115 WANXXERPLVPFQA-HXUWFJFHSA-N 464.614 2.185 30 10 JEEE C=C(Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](CNC(C)=O)C1)c1ccccc1 1301010188 IRDWRAKHMRKXNC-BDTNDASRSA-N 455.559 2.057 30 10 JEEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1301257923 GTRXECLOQQKSRE-MOPGFXCFSA-N 457.579 2.162 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCS(=O)CC1 1301514670 LHERZIJTVROGRH-UHFFFAOYSA-N 458.371 2.035 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN([C@@H](C)c2nccs2)CC1 1301585905 GZBLHHOVONPRJE-INIZCTEOSA-N 450.634 2.171 30 10 JEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1C[C@H](c2ccc(F)cc2)O[C@H](C)C1 1301592678 BOXHBIFCQVIESM-YLJYHZDGSA-N 491.589 2.107 30 10 JEEE CC(C)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC(F)(F)F)[C@H](C)C1=O 1303185440 CSBRUTJQKAOKTP-OAHLLOKOSA-N 477.491 2.188 30 10 JEEE C=CCNC(=O)c1ccc(NC(=O)Nc2ccc(N3CCS(=O)(=O)CC3)cc2OC)cc1 1310167795 HOQUSALWQJJUCY-UHFFFAOYSA-N 458.540 2.490 30 10 JEEE COC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1315132022 FCIOSWXOLWYLSR-LJQANCHMSA-N 458.588 2.246 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2C[C@@H](C)CN2CCOCC2)c1 1358901639 RLAOCRKVQYLZHQ-FQEVSTJZSA-N 473.581 2.365 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCc1ccc(SC)cc1)[C@H]1CCS(=O)(=O)C1 1358955649 QQQFBEBVLYYZNU-SFHVURJKSA-N 475.640 2.008 30 10 JEEE C#CCN(c1nnc(CC)n1Cc1c(C)nn(-c2ccccc2)c1C)[C@@H]1CCS(=O)(=O)C1 1358963733 NCUTYZWBJSGUHU-HXUWFJFHSA-N 452.584 2.318 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C(F)(F)F)cc2C)CC1 1359029383 WFRLOMPNIQXTFY-INIZCTEOSA-N 484.548 2.019 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)CC[C@@H]1C 1359098639 DGFBEKSBWWRQEW-KNJMJIDISA-N 467.636 2.217 30 10 JEEE C=CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](S(C)(=O)=O)C1 1359217419 ZARYXXTZRAHSJO-DLBZAZTESA-N 469.608 2.176 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1359291369 NYFDQSQRYUSAHM-IBGZPJMESA-N 482.585 2.224 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC[C@@H](NC(C)=O)C1 1359334631 MKTYLYYTIPYNQD-LJQANCHMSA-N 470.599 2.056 30 10 JEEE C=CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1359339087 RSYYVHJBMYKVMA-OAQYLSRUSA-N 465.627 2.479 30 10 JEEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCOCC(F)(F)C(F)F)CC1 1359396994 QVZNJCYVGULSPE-UHFFFAOYSA-N 484.454 2.314 30 10 JEEE CC(C)C(=O)NCCn1c(CN2CCCC2=O)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1359642883 HJCVTZICNJYPJJ-UHFFFAOYSA-N 479.585 2.092 30 10 JEEE C=CC[C@H](NS(=O)(=O)c1cc(Cl)c(OCC(=O)N(C)C)c(Cl)c1)C(=O)OCC 1463496584 GZZASZYPICHHQW-AWEZNQCLSA-N 453.344 2.247 30 10 JEEE C=CC[C@H](NS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1)C(=O)OCC 1475186197 WMQLHWSGJNKVFU-FCEWJHQRSA-N 458.602 2.139 30 10 JEEE C=CCNC(=O)c1cccc(S(=O)(=O)N(C)Cc2nnc3n2CCC[C@H]3C(F)(F)F)c1 1475683490 JMHJSYXWSVMJTP-OAHLLOKOSA-N 457.478 2.454 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1C[C@@H](c1cccc(OC)c1)N1CCCC1 1507636904 FOQPXIONTVSOIC-QHCPKHFHSA-N 460.582 2.433 30 10 JEEE C#CCN(c1nnc(Cn2ccc3ccccc32)n1C[C@@H](C)COC)[C@@H]1CCS(=O)(=O)C1 1507640366 QKCZGNIUBRFKFD-UYAOXDASSA-N 455.584 2.190 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C 1507669628 OMZHTNIBOHNVCC-RTBURBONSA-N 477.631 2.192 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1507732640 RAVKIHPIQSUBLW-FQEVSTJZSA-N 485.654 2.345 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2Cc2cccc(OCC(=O)N(C)C)c2)CC1 1507737956 DOWXDIRUHZTKLN-UHFFFAOYSA-N 492.624 2.417 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2Cc2cccnc2OC)CC1 1507743077 YOGDFCMRWLFJCB-UHFFFAOYSA-N 474.565 2.295 30 10 JEEE C#CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)CC(=O)NC(C)(C)C 1507751558 JZBUNURSZZBWRG-UHFFFAOYSA-N 481.626 2.392 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1507804643 LHYNPHNMTCGHPT-HOKHCIIBSA-N 481.645 2.282 30 10 JEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 1507944998 YVPRTSHTCARCLS-INIZCTEOSA-N 463.564 2.089 30 10 JEEE C=CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1ccc(C)n(C)c1=O 1507981704 IJCWVSXUESMRQI-UHFFFAOYSA-N 461.614 2.320 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCN(C(=O)OC)CC1 1508139650 IHCKPJWDPLWTRH-UHFFFAOYSA-N 486.554 2.089 30 10 JEEE C=CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCO[C@H](C#N)C1 1508155134 JDVWXYXKMYNJNP-MRXNPFEDSA-N 451.556 2.323 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@H](c1ccccc1Cl)N(C)C 1510187890 AOWLWUSZGYMQOE-GZRFBZBPSA-N 484.001 2.287 30 10 JEEE COc1ccccc1Cc1nnc(N2CCC[C@@](C)(C#N)C2)n1CCNS(=O)(=O)Cc1ccon1 1518469111 HRYOOKZDPVCGPD-QHCPKHFHSA-N 499.597 2.115 30 10 JEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CC1([S@](C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1539205294 GOAYPHLRPVUVCM-ADKRDUOOSA-N 467.016 2.136 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCc1ccc(N(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 1539220466 JONIUDDLTAAVDY-RBBKRZOGSA-N 471.627 2.108 30 10 JEEE C#CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 1539230818 KYVCGIZYJNVAQW-FGTMMUONSA-N 489.598 2.317 30 10 JEEE C#CCN(c1nnc(CCOc2ccccc2)n1CC1(O)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1539231420 VROSRVVJNOBWOX-HXUWFJFHSA-N 472.611 2.222 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCN1CCCCCC1=O 1539246500 RTMAQJOWJIGNFL-UHFFFAOYSA-N 467.595 2.214 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H](OC)[C@@H](C)CC)CC1 1539434614 PTRKOZNRHXBWJM-RXVVDRJESA-N 459.616 2.165 30 10 JEEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1539520891 VGXQVBYGSVLYIA-VXKWHMMOSA-N 495.697 2.257 30 10 JEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)c2c(F)cccc2F)CC1 1539526892 WEDXRURGOFYTJN-UHFFFAOYSA-N 488.564 2.008 30 10 JEEE C#CCSCCn1c(N2CCCN(Cc3cnn(C)c3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1539530576 JGETVNZGVUXSEI-DEOSSOPVSA-N 487.674 2.131 30 10 JEEE C=C(Br)Cn1c(N2CC[C@]3(CCC(=O)N3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1539608679 CGTAQCBGIKAWCX-RTBURBONSA-N 454.369 2.086 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)CC(=O)N1CCOCC1 1539620942 ONLLIOYGTZNMDU-KXBFYZLASA-N 493.406 2.312 30 10 JEEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1540036078 KIMWODFIUUOBHS-XPWALMASSA-N 488.677 2.391 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1540864044 NHGPOQKDOLTCDT-HUUCEWRRSA-N 463.380 2.211 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)CC2CCCCC2)CC1 1540870857 YNWJUSFSRHRPAL-HXUWFJFHSA-N 458.607 2.093 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCN(C(=O)OCC)CC1 1540874705 OVMBYTRZUJIVQD-UHFFFAOYSA-N 456.547 2.055 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(NC(C)=O)nc2)C1 1540883385 ZCXGEMOAXGPODC-SFHVURJKSA-N 462.514 2.108 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 1540897509 KUTHYHIAODKSLW-UHFFFAOYSA-N 451.618 2.335 30 10 JEEE COCC1(CCn2c(C(=O)NC(C)C)nnc2N2CCN(c3cc(C#N)ccn3)CC2)CCC1 1555288873 BNCVKSGYOIQRGX-UHFFFAOYSA-N 466.590 2.216 30 10 JEEE N#Cc1cccc(-c2nnc(N3CC[C@@H](C(=O)NCC(F)(F)F)C3)n2CCCC(=O)NC2CC2)c1 1555986105 FCVGZVAJKSFWAT-QGZVFWFLSA-N 489.502 2.380 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1ccccc1)N(CC)CC 1587641081 XDQLIWMWFJMRAD-ILWGZMRPSA-N 488.658 2.152 30 10 JEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ncc(CC)s1 1587766509 WBQXCMMXGIAGFR-QGZVFWFLSA-N 466.633 2.070 30 10 JEEE C#CCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1587879361 RZZNUUXMWCKKDZ-HSZRJFAPSA-N 484.670 2.070 30 10 JEEE C#CCCCn1c([C@H]2CCCO2)nnc1N1C[C@@H](C(=O)OC)[C@H](CNC(=O)OC(C)(C)C)C1 1587898447 OPQJBJOMNUQAHC-KZNAEPCWSA-N 461.563 2.293 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCc1ccccc1OCC)[C@@H]1CCS(=O)(=O)C1 1588055259 ULQOFTAMVQCLFQ-NHCUHLMSSA-N 472.611 2.440 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccccc2OC)n1CC1(S(C)(=O)=O)CCCC1 1588166831 QOTDSAPDMCVCHV-UHFFFAOYSA-N 456.568 2.296 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCN1CCN(CC)CC1 1588314535 IICBVLKAOFRFEY-UHFFFAOYSA-N 476.629 2.162 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Br)c3)n2CC(C)(C)O)CC1 1588890906 ICPMMBMNHKTIJB-UHFFFAOYSA-N 460.376 2.444 30 10 JEEE C#CCSCCn1c(N2CCO[C@](C)(c3cnn(C)c3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1589125750 QAJDMPHXDNSEJR-XZOQPEGZSA-N 474.631 2.171 30 10 JEEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 1589708623 QXZQYDQZEDDUMN-LSDHHAIUSA-N 455.606 2.065 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCc2cc(Br)ccc2C1 1595789110 NCHXILGWZIQHOF-QGZVFWFLSA-N 494.415 2.155 30 10 JEEE CN(Cc1nccs1)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1618024552 HYLKXRRLXKHMPJ-QGZVFWFLSA-N 487.611 2.246 30 10 JEEE COCC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCCCCC2)CC1 1619551707 DHCXAIULLORFKY-UHFFFAOYSA-N 482.585 2.109 30 10 JEEE C=CCNC(=O)c1ccc(NC(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 1626307667 SKFIIYYEFZNJMB-UHFFFAOYSA-N 459.524 2.071 30 10 JEEE C=CCN1CC[C@H](N(C)C(=O)c2ccc3c(c2)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N3)C1=O 1639594986 YDDBGNGJOMPWRY-MOPGFXCFSA-N 456.543 2.324 30 10 JEEE C=CCn1c(SCC(=O)N[C@H](CO)[C@H](O)c2ccccn2)nnc1-c1ccc(Cl)cc1 1642585841 OGKFFEJGGPOZGG-IEBWSBKVSA-N 459.959 2.482 30 10 JEEE C=CCc1cc(C(=O)N2CCNC(=O)CC23CN(C(=O)OC(C)(C)C)C3)cc(OC)c1OC 1648016805 SKGPGJYDMANIGS-UHFFFAOYSA-N 459.543 2.384 30 10 JEEE CCOC(=O)CNC(=O)C1CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)CC1 1657861347 BAZZFOOZXPMTCV-UHFFFAOYSA-N 457.575 2.422 30 10 JEEE CC(C)(C)OC(=O)[C@H]1CC(=O)N(C2CCN(C(=O)NCc3ccc(OCC#N)cc3)CC2)C1 1668278700 HRMQGFDFGHYZEE-SFHVURJKSA-N 456.543 2.453 30 10 JEEE C#CCCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1689892857 OQOISPASCCMKPQ-NRFANRHFSA-N 473.599 2.360 30 10 JEEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1689915146 RCRPOTZWPFRKQI-HNNXBMFYSA-N 474.407 2.238 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1cccc(N(C)C)c1)[C@H]1CCS(=O)(=O)C1 1689993678 JLHKJSLXGCQTJQ-QFIPXVFZSA-N 464.595 2.005 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCO[C@H]1CCOC1 1690077607 SFAVVWCYHCTSJH-OALUTQOASA-N 463.579 2.242 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@](C)(O)C2CCCCC2)CC1 1690138168 UIIYSZPPNVMVKS-UIOOFZCWSA-N 487.645 2.227 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1690236844 RSKTZPFZTLVEMQ-YYWHXJBOSA-N 455.607 2.354 30 10 JEEE C=CCCCCn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@H](C(=O)NC)C1 1690453572 FGGHYQCKIZGOIA-INIZCTEOSA-N 451.369 2.354 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@]2(OCC)CCOC2)n1C[C@]1(O)CCN(C)C1 1690558457 QNZMXPVQKGGYFK-DQEYMECFSA-N 466.586 2.061 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1690664451 TUKPUKGFLQDRHI-HXUWFJFHSA-N 476.585 2.207 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2c(C)cc(C)cc2C)C1 1690700325 QRMSRBZZZNHHJE-IRLDBZIGSA-N 489.642 2.366 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1690717897 URNVKKGUHILVTL-SFHVURJKSA-N 477.587 2.269 30 10 JEEE COCCN(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1698023821 CYPFSTAMTRGNFN-YADARESESA-N 454.575 2.169 30 10 JEEE COCCN(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2nccnc2C)CC1 1698023985 DUPKCXNWKZKBLM-UHFFFAOYSA-N 475.601 2.210 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1cccc(OCC)c1)[C@@H]1CCS(=O)(=O)C1 1705567555 XKYVOJPPMWQBQH-WOJBJXKFSA-N 458.584 2.246 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1CC1(SC)CCN(C)CC1)[C@@H]1CCS(=O)(=O)C1 1705567793 ZVGNYTCIQGYOMM-GOSISDBHSA-N 467.705 2.321 30 10 JEEE C#CCN(c1nnc(COc2ccccc2OC)n1CCc1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1705568071 GRKYVRIZPFZCNL-IBGZPJMESA-N 499.593 2.340 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnccn3)n2CC2C[C@@H](C)O[C@H](C)C2)n1 1705631753 PCNPNLXWPFRHNJ-RTBURBONSA-N 464.574 2.421 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCCN2CCOC2=O)CC1 1705633807 YWRRDNNOCJQOQQ-GOSISDBHSA-N 456.522 2.155 30 10 JEEE C#CCN1CCN(c2nnc(-c3nn(CCC)c(=O)c4ccccc34)n2CC(F)(F)F)CC1 1705638288 FUDRAXOWPMNXSF-UHFFFAOYSA-N 459.476 2.383 30 10 JEEE C=C(Cl)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(CCOCC)CC1 1705749849 KEBVCCLDCUZDSL-UHFFFAOYSA-N 453.996 2.260 30 10 JEEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 1705818678 RKMZVIJNHDFJHB-IBGZPJMESA-N 455.538 2.095 30 10 JEEE C=CCN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1(O)CCS(=O)(=O)CC1)C1CC1 1705856560 WZRFAPWSBMTEDF-SFHVURJKSA-N 495.646 2.445 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CC[C@H](N2CCCCC2)C1 1705906637 LBCFSDCXQWITIY-IBGZPJMESA-N 454.575 2.233 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CCN2CCN(C)C(C)(C)C2)C1 1705929791 XYMXYPWKUAWOEF-IBGZPJMESA-N 487.674 2.077 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN([C@H](C)c2nc(C(C)C)no2)CC1 1705931838 CDACTGXHGGRBQC-QGZVFWFLSA-N 488.618 2.264 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1705931910 FSKUMVWJLDPPNN-GOSISDBHSA-N 460.604 2.072 30 10 JEEE C=CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1705949611 CXWOWROIJFZNPI-RTBURBONSA-N 490.674 2.043 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccccc1CN1CCC[C@@H]1CO 1722282422 YSYHHMIRPPWGFM-CLLDFNAGSA-N 467.614 2.393 30 10 JEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](CN2CCC(C)CC2)C1 1722323761 HRSBZNQZSOHSDX-UXHICEINSA-N 450.653 2.250 30 10 JEEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1722332844 PITNJMBRRZWOKQ-AZUAARDMSA-N 486.617 2.495 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CCc1nc(C)c(C)s1)[C@H]1CCS(=O)(=O)C1 1722364169 DWVDOBZAHBRCMK-IBGZPJMESA-N 470.624 2.207 30 10 JEEE C#CCN(c1nnc(CC)n1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1722365825 FVJLETUEIDFFPO-QZTJIDSGSA-N 465.620 2.114 30 10 JEEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CCNC(=O)c1cccs1 1722391782 UPOIBVPQIZTAGH-QHCPKHFHSA-N 455.584 2.273 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@]1(O)CCC[C@@H]1C 1722417785 SRSDPQNHTXUJTN-PNLZDCPESA-N 463.579 2.218 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(=O)N(C)C 1722418390 OUWGNXLNWJYDRZ-UHFFFAOYSA-N 497.600 2.414 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(Br)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1722423089 YJGAZOLHYNZXSR-GOSISDBHSA-N 496.431 2.218 30 10 JEEE C#CCN(CCOC)c1nnc(COc2ccc(Br)cc2)n1C[C@H]1COCCO1 1722427387 NXUGNHZLFCZNAE-SFHVURJKSA-N 465.348 2.121 30 10 JEEE C#CCN1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC2(O)CCC2)CC1 1722436822 LMOJFTYQCWDMQV-UHFFFAOYSA-N 458.607 2.063 30 10 JEEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CC(C)(C)N2C[C@@H](C)O[C@H](C)C2)CC1 1722440013 YEPGRAHIRGKERM-RTBURBONSA-N 471.675 2.277 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@]2(O)CCSC2)CC1 1722449494 KMIMZRSJMZXTFH-RUZDIDTESA-N 483.638 2.308 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@H](C2CC2)N(C)C)CC1 1722450037 UYTHPESGRDQMNP-QHCPKHFHSA-N 464.614 2.472 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1722481895 CFSGFUKVMFWPKG-DLBZAZTESA-N 469.428 2.117 30 10 JEEE C=CCCOCCn1c([C@@H]2CCCCO2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1722628031 QVSAODZQQCLIIM-NRFANRHFSA-N 460.623 2.247 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2nc(C(F)(F)F)cs2)C1 1722710793 OLBAWKPAWXPKBG-RYUDHWBXSA-N 480.538 2.193 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@]2(O)CCN(C)C2)C1 1722722957 SYTFDNDJUXRFAN-AXHZCLLHSA-N 476.622 2.198 30 10 JEEE N#Cc1ccc(OCc2nnc(N3CCC[C@@H](C(N)=O)C3)n2CCn2cc(Br)cn2)cc1 1731182039 FYTMYYOCKAHHTA-MRXNPFEDSA-N 499.373 2.090 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OC)cc1C(F)(F)F 1740533991 WCWVVUFJJUPTOL-QWHCGFSZSA-N 459.494 2.422 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCc1ccc(O)cc1)[C@H]1CCS(=O)(=O)C1 1740624155 GLFDYYAKAFVTQO-IBGZPJMESA-N 471.608 2.209 30 10 JEEE C#CCN(c1nnc(COCC)n1Cc1c(F)cccc1SC)[C@@H]1CCS(=O)(=O)C1 1740627129 DUKSQYBJXLTCHC-OAHLLOKOSA-N 452.577 2.351 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CC1(SC)CCN(C)CC1 1740646107 PRFAOKPQLCSSJQ-UHFFFAOYSA-N 451.600 2.216 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@](C)(O)c1ccco1 1740684479 SLNZAORFPGKFNU-VWLOTQADSA-N 476.537 2.262 30 10 JEEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCN1CCC[C@@H]1C 1740685834 RKLFEGDACJBDKB-FQEVSTJZSA-N 452.607 2.022 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2Cc2cnccc2OC)CC1 1740707329 YOJJXILTGWFVQX-UHFFFAOYSA-N 462.529 2.426 30 10 JEEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(Cc2c(CC)nn(C)c2Cl)CC1 1740718707 UNKBTUKMJKEHMS-QGZVFWFLSA-N 478.066 2.420 30 10 JEEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1740721454 JQJMCOPFTWCCKZ-FQEVSTJZSA-N 473.624 2.499 30 10 JEEE C#CCSCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1740721603 NXMXQTYCQGKPDA-LJQANCHMSA-N 494.625 2.372 30 10 JEEE C=C(Cl)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](CN2CCOCC2)C1 1740823132 YDADAVUOWZFOMV-RBUKOAKNSA-N 497.040 2.498 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc(-c2cnn(C)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1740919001 SHGMQVOJZOQJAE-LNVKXUELSA-N 458.526 2.398 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CCCN(C(C)=O)CC1 1740952411 DCWGEGAGHIAONR-UHFFFAOYSA-N 461.364 2.068 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1740987114 PERDRFVWSLXKIC-UKPHBRMFSA-N 484.420 2.498 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@H](C)[C@H]1CC 1740990031 GIZKIIZTPSHDIG-QFBILLFUSA-N 470.599 2.418 30 10 JEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1741003597 XXUFKGURTCOEHW-LJQANCHMSA-N 481.688 2.328 30 10 JEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(OC)nc1OC 1748789078 IALFFUQXMOJRNL-KRWDZBQOSA-N 472.546 2.116 30 10 JEEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CCc1ccc(CC)cc1)[C@H]1CCS(=O)(=O)C1 1748806096 ZEXDMGUTDVWUBE-WIOPSUGQSA-N 486.638 2.362 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CCC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1748820103 ZDSZUZZWEXJOCJ-MRXNPFEDSA-N 464.538 2.079 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(Br)c3)n2CCS(=O)(=O)CC=C)CC1 1748978528 LMHZDLBYOXWJFD-UHFFFAOYSA-N 478.416 2.064 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1CC(F)(F)C1 1749129659 GEYBFFPJOABYDM-BZSNNMDCSA-N 489.589 2.074 30 10 JEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)Cc2cccc(F)c2)CC1 1749227088 ZZSUDJZNUZVWLL-OAQYLSRUSA-N 484.576 2.242 30 10 JEEE C=C(Cl)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(NS(C)(=O)=O)CC1 1749268494 BQLIHAHVQHVKKA-QGZVFWFLSA-N 453.952 2.061 30 10 JEEE C=CC[C@@H](Cn1c(CN2CCCC2=O)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)c1ccccc1 1749384669 FUGZXQDMSLSGFB-VQTJNVASSA-N 457.600 2.384 30 10 JEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](N2CCCCC2)C1 1749402988 UGRXRSPEJHEQIR-PMACEKPBSA-N 466.652 2.032 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@]1(OC)CCOC1 1749547059 KANMZJZMXXFNMG-AVRDEDQJSA-N 464.563 2.317 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)N1CCc2ccccc21 1749575567 UIAWAKUCQYLEPL-UGKGYDQZSA-N 486.642 2.241 30 10 JEEE CC(C)N(C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1751208846 FKSDGSQLHMIHIT-SFHVURJKSA-N 471.631 2.394 30 10 JEEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCC1(O)CCOCC1 1760120932 RCVLLEODYYPIAC-QFIPXVFZSA-N 466.630 2.032 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H]1CCCN(C(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1760189754 LQDKZUVJHWRFAG-IFMALSPDSA-N 470.643 2.011 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1ccc(C(N)=O)nc1 1760222318 GMQLCOPWQCDLHV-FQEVSTJZSA-N 477.569 2.355 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](C)SC 1760249174 ISDMNGGJDWOQIV-IRXDYDNUSA-N 453.609 2.424 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2CCCS(=O)(=O)Cc2ccccc2)CC1 1760257926 MBXUVBNJXMGVCB-UHFFFAOYSA-N 452.584 2.034 30 10 JEEE C=C(Br)Cn1c(C(=O)NC(CC)CC)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1760299773 HGPGVOKAWTXCIL-GJZGRUSLSA-N 453.385 2.353 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1760325966 SYTFBDLFOMEUIZ-SBHAEUEKSA-N 462.620 2.134 30 10 JEEE C=CCC(C)(C)Cn1c(CCc2ccccc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1760414859 FYZHSSQNMFSELN-UHFFFAOYSA-N 463.590 2.001 30 10 JEEE C=CCCCn1c(N2CCN(CC(=O)N3CCCCCC3)CC2)nnc1[C@@]1(OCC)CCOC1 1760444546 KKYKZPMVXKKNDO-RUZDIDTESA-N 474.650 2.421 30 10 JEEE C=CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CC(=O)N(C)C1CCCCC1 1760503316 FQRHEVOQHTUUHH-UHFFFAOYSA-N 458.563 2.436 30 10 JEEE C=CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1760509225 QAKGPONOOPVJAW-UHFFFAOYSA-N 455.569 2.279 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCCS(=O)(=O)c2ccccc2)C1 1760534436 YJCARJVPYZKQEA-LJQANCHMSA-N 473.599 2.159 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 1760552601 UORLDIYULLQVEC-UHFFFAOYSA-N 474.612 2.206 30 10 JEEE CC(C)N1CCC[C@@H](Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCO[C@H](C#N)C2)C1 1761184873 FNMCSNNUMNLOES-UYAOXDASSA-N 472.615 2.198 30 10 JEEE CNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(NC(C)=O)nc2)C1 1767654482 DRWYIZCNAFDXFH-FQEVSTJZSA-N 458.526 2.181 30 10 JEEE CCOCc1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CC1CCS(=O)(=O)CC1 1767964774 GCOGUFZCLGKUBS-FQEVSTJZSA-N 459.572 2.089 30 10 JEEE CN(CC1CCOCC1)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCS(=O)(=O)C1 1768818366 GXFUGMSVNIRKTA-HXUWFJFHSA-N 473.599 2.416 30 10 JEEE CCN1C(=O)COc2ccc(-c3nn(-c4cc(OC)cc(OC)c4)cc3/C=N\NC(N)=S)cc21 1857807504 MKMBELLBFUOBIK-GATIEOLUSA-N 480.550 2.469 30 10 JEEE N#Cc1ccccc1S(=O)(=O)Nc1ccc(N2CCN(C(=O)COc3ccccc3)CC2)nc1 1858442822 DKVBVYOQZSNTGP-UHFFFAOYSA-N 477.546 2.482 30 10 JEEE O=C(C1=C(O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccc(O)c([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 1862743498 CAYPMIMASVCVHS-FQEVSTJZSA-N 498.448 2.119 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NC[C@H]2CCCO2)cn1Cc1ccccn1 1870546822 UJDODKXPCFGWGN-JOCHJYFZSA-N 452.555 2.140 30 10 JEEE CCCCCCCCCCN1C[C@@H](C(=O)N2CCC(C(=O)NCCNC(C)=O)CC2)CC1=O 1872928307 JIOGCFARHXMSJN-QFIPXVFZSA-N 464.651 2.467 30 10 JEEE CC(C)(C)OC(=O)NCCC[C@H](NC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)C(=O)O 2059770195 PZHAMYGCPDPBRU-GJZGRUSLSA-N 456.540 2.448 30 10 JEEE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@H](CNS(=O)(=O)c2ccc(C#N)nc2)C1 2140606391 IRJDPBXUFUBREN-HXUWFJFHSA-N 471.583 2.353 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1[C@H]2C[C@@H](CN(c3ncccc3B3OC(C)(C)C(C)(C)O3)C2)[C@@H]1CO 2241123891 NGBPMPYBAPATMI-DWRORGKVSA-N 459.396 2.339 30 10 JEEE CC(C)(C)OC(=O)NC[C@H](O)CNC(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1Cl 2255542842 YMFKYIMSINVFPK-CYBMUJFWSA-N 454.760 2.255 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2255802962 HVGHRLFYCINFHC-QWHCGFSZSA-N 475.442 2.163 30 10 JEEE CN(C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)[C@@H]1CCN(C(=O)OCc2ccccc2)C1 2255838895 NDKVGVBJOUWAKZ-LJQANCHMSA-N 466.347 2.259 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCCNC(=O)OCc1ccccc1 2255955819 UDKMPIHAZMFLTR-UHFFFAOYSA-N 490.387 2.199 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)N(C)Cc1cc(B2OC(C)(C)C(C)(C)O2)cs1 2256613919 KOMRCFRHISBLOW-BBRMVZONSA-N 454.398 2.280 30 10 JEEE CO[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)N(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)C1 2267278013 XGBULKIKAOKWDI-LSDHHAIUSA-N 450.341 2.333 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@H]1CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2267363535 KMENLUYXSPURFK-GUYCJALGSA-N 470.372 2.316 30 10 JEEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1N(C)C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2281827623 YEFOAEGFTFCFBP-WBVHZDCISA-N 462.400 2.437 30 10 JEEE Cc1nc(C(=O)N2CC[C@@H](CO)[C@@H](NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2282017641 MSGAUZZVRLRYEA-GJZGRUSLSA-N 481.424 2.098 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CC[C@H](NC(=O)C(F)(F)F)[C@@H](C)C1 2282126280 IGQZSWFHYXDPIN-ZFWWWQNUSA-N 457.302 2.336 30 10 JEEE C[C@@H]1CCN(C(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)[C@H](C)[C@H]1NC(=O)C(F)(F)F 2282180567 VDHJYPRQZHGYSP-NFAWXSAZSA-N 455.286 2.298 30 10 JEEE CC(C)(C)OC(=O)NCCO[C@@H]1CCN(C(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)C1 2282517673 BXMVSSXLAYIBMT-MRXNPFEDSA-N 461.368 2.137 30 10 JEEE Cn1cc(C(=O)N2C[C@@H]3CC[C@@H](NC(=O)OC(C)(C)C)[C@H]3C2)nc1B1OC(C)(C)C(C)(C)O1 2282552004 NPPXXWJHJQQUQO-HRCADAONSA-N 460.384 2.095 30 10 JEEE CC(C)(C)OC(=O)N[C@]1(CNC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2Cl)CCOC1 2282610305 UWJSOIKRZHEBGI-QFIPXVFZSA-N 481.786 2.448 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCCO[C@@H]2[C@@H]1NC(=O)c1ccoc1B1OC(C)(C)C(C)(C)O1 2282631792 BHNASVJHLXVQRW-SVGFKBNWSA-N 462.352 2.379 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)[C@@H]2CCC[C@@H]21 2282691940 PWWACVKIHRXLPX-XIRDDKMYSA-N 458.368 2.294 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@]2(CCN2C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2282697787 VTBIMGKPJOKZNK-CWSKOGRWSA-N 458.368 2.295 30 10 JEEE CN(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2ccc(B3OC(C)(C)C(C)(C)O3)cc21 2283951490 XENOBPJAVIIYFN-GOSISDBHSA-N 459.396 2.330 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N1CCc2cccc(B3OC(C)(C)C(C)(C)O3)c2C1 2284045641 PKRGTSGXBBCKTM-LJQANCHMSA-N 460.380 2.146 30 10 JEEE CC(C)(C)OC(=O)N1CC(N2CC(C(=O)Nc3ccc(B4OC(C)(C)C(C)(C)O4)cc3)C2)C1 2284334408 DMWUITHWOIVEOB-UHFFFAOYSA-N 457.380 2.475 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2285183315 WVAMCIZHHSHJLL-SFHVURJKSA-N 464.343 2.377 30 10 JEEE CC(=O)NCc1nnc(SCC(=O)Nc2ccccc2F)n1N=Cc1ccc2c(c1)OCCO2 2330718835 RWRTXUPJIPZMAK-UHFFFAOYSA-N 484.513 2.438 30 10 JEEE CCCOc1c(Br)cc(C=Nn2c(COC)nnc2SCC(N)=O)cc1OC 2331565618 ANHMOKAKLDHDES-UHFFFAOYSA-N 472.365 2.444 30 10 JEEE COC(=O)[C@@H]1C[C@H](OS(C)(=O)=O)C(=O)[C@H]2[C@]3(C)C[C@H](c4ccoc4)OC(=O)[C@H]3CC[C@]12C 2333257919 JPQCLBRBPPZECE-CMDILLMFSA-N 468.524 2.413 30 10 JEEE C=CCn1c(=O)c2sc(N(CC)CC)nc2n(CC(=O)Nc2ccc(C(=O)OC)cc2)c1=O 21655781 CLGZHTDZYACXPB-UHFFFAOYSA-N 471.539 2.077 30 10 JEEE COc1cc(NC(=O)CSc2nnc(N/N=C(\C)c3ccccc3O)n2N)cc(OC)c1 59829730 OFAQVTYMCCKVET-FSJBWODESA-N 457.516 2.282 30 10 JEEE COc1cccc([C@H]2/C(=C(/O)c3c(C)nc4ccccn34)C(=O)C(=O)N2CCN2CCOCC2)c1 108302503 TVRRBOZUBSPVQZ-HHUUSFLGSA-N 476.533 2.405 30 10 JEEE CCCCCCCCO[C@@H]1O[C@H]([C@H](COC(C)=O)OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 256014064 YQYGIWWSRQRBBQ-MLBCHFTJSA-N 460.520 2.447 30 10 JEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)N[C@H](c2ccccc2)[C@H]2CCCO2)CC1 608843442 RFRROJVWSDPTNM-IFMALSPDSA-N 454.552 2.494 30 10 JEEE C#CCN(C(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(OC)cc2)c1)[C@@H]1CCS(=O)(=O)C1 729332436 XRWIAXQEBFBYSW-LJQANCHMSA-N 476.576 2.067 30 10 JEEE N#CCCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](CO)C(=O)O 757403339 STJHEENAXLHHPL-NHCUHLMSSA-N 451.479 2.149 30 10 JEEE COCCn1cc(C=NNc2nc(SCCC(=O)Nc3cccc(N4CCCC4=O)c3)n[nH]2)cn1 1083911839 VFHQZSLVCYWAHI-UHFFFAOYSA-N 497.585 2.341 30 10 JEEE O=C(CSc1n[nH]c(NN=Cc2cccnc2)n1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 1084012827 IUNLNULJRZQEGQ-UHFFFAOYSA-N 486.583 2.161 30 10 JEEE Cc1nn(CCO)c(C)c1C=NNc1nc(SCC(=O)NCc2cccc(Cl)c2)n[nH]1 1084151368 SBEPMYVMNRDWPI-UHFFFAOYSA-N 462.967 2.118 30 10 JEEE C=CCOc1ccccc1CNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 1226925341 HINOLUXNVJMZBM-FQEVSTJZSA-N 452.559 2.346 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3noc4c3COCC4)n2C[C@@H](F)COC)c1 1286308822 DQNVQOORBVDCRM-MRXNPFEDSA-N 468.489 2.047 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCCCOc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1286388880 CLRRGCCQNQVKDA-OAQYLSRUSA-N 482.610 2.473 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@@H]1CCN(CC(F)(F)F)C1)[C@H]1CCS(=O)(=O)C1 1286394189 NTWRMGBIOTWQJY-SJORKVTESA-N 475.581 2.378 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC1CCN(CCN(C)C)CC1 1286398177 HJHIUWRSGHSPNE-UHFFFAOYSA-N 475.641 2.494 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@]2(OCC)CCOC2)n1C[C@@]1(O)CCO[C@@H]1C 1286455165 SJJUIUNPHKMDFV-DKLXNKCPSA-N 458.534 2.249 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2Cc2nnc(C)s2)CC1 1286487407 OBFOWHFFDWMTDA-UHFFFAOYSA-N 451.556 2.128 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1286673601 ZCCYNRLKWDYJCF-HXUWFJFHSA-N 472.634 2.325 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@@]2(CCOC2)C1 1286791838 DYOTWSOEHCZFQJ-VWLOTQADSA-N 469.586 2.453 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)Cc1nc(C(F)(F)F)cs1 1286793884 OWIJHZZIAQIWAU-LRDDRELGSA-N 474.509 2.416 30 10 JEEE C[C@H](C#N)CN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCC(=O)N1CCCCC1 1286964713 DGTLYSLVRCWCHA-QGZVFWFLSA-N 462.558 2.190 30 10 JEEE CNC(=O)C(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](COC(C)C)C1 1298948214 HUEHBCOCXPPLGT-HXUWFJFHSA-N 470.574 2.131 30 10 JEEE COc1ccc(-c2nnc(N3CCN(c4nccnc4C#N)C[C@H]3C)n2CCNC(=O)C(C)C)cc1 1300068800 DJLYWHZSEZFOAO-GOSISDBHSA-N 489.584 2.103 30 10 JEEE C#CCCCCn1c(N2CCN(c3nccnc3C#N)C[C@@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 1300377199 SAKBZUXGXLYMPZ-NBGIEHNGSA-N 478.601 2.499 30 10 JEEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1C[C@@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1300431656 JQCYRVYJQPWZIT-RAZUEPIFSA-N 475.590 2.024 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCCN1CCCCCC1=O)[C@H]1CCS(=O)(=O)C1 1300488866 HGBNXKBWNDNSQV-NRFANRHFSA-N 499.637 2.373 30 10 JEEE C#CCN(c1nnc(C2CCCC2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O)[C@@H]1CCS(=O)(=O)C1 1300492655 OJHIYRSSHMHFMZ-TZIWHRDSSA-N 487.601 2.046 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1C[C@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1300664777 FSVVSTOTUWIUMH-ANULTFPQSA-N 489.617 2.283 30 10 JEEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N(C)Cc1ncnn1CC(F)F 1301497470 XQZTVUKXLUYHQF-UHFFFAOYSA-N 455.473 2.222 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1301575984 OHGSONRKCKLVQQ-LJQANCHMSA-N 472.571 2.132 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 1301579443 RTZYQZCEZDERHK-MRXNPFEDSA-N 498.535 2.336 30 10 JEEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1313491705 IBUQQUMIFDPWIF-IBGZPJMESA-N 451.575 2.332 30 10 JEEE COCC(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2cccc(C)n2)CC1 1315755785 IFPRABROPYXRPX-UHFFFAOYSA-N 489.580 2.406 30 10 JEEE C#CCCCn1c(N2CCCN(Cc3cnn(C)c3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1358936056 BHWVBMHKJXKLCJ-DEOSSOPVSA-N 455.607 2.178 30 10 JEEE C#CCN(C)c1nnc(COc2ccc(C#N)cc2)n1CC1(NC(=O)OC(C)(C)C)COC1 1358953353 UQUHMJLMWBLDES-UHFFFAOYSA-N 452.515 2.092 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCc2nccn2C1 1358987601 MHZIBXNTVYRPID-HXUWFJFHSA-N 491.621 2.117 30 10 JEEE C#CCN(CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1359002844 OTEUGRDWWFRYQH-QGZVFWFLSA-N 453.572 2.076 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCCCS1(=O)=O 1359014925 BWUUWPZKTLVRCP-IBGZPJMESA-N 461.563 2.163 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1OCC=C 1359070349 KYZUMVUPERYWLK-ZJSXRUAMSA-N 485.610 2.216 30 10 JEEE C=CC1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](N2CCOCC2)C(F)(F)F)CC1 1359181440 SAAZDIWFAKBLOR-KRWDZBQOSA-N 456.513 2.066 30 10 JEEE C=CCCOCCn1c(-c2ccc[nH]2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1359225177 PPXVUVMRXNZUIN-UHFFFAOYSA-N 455.607 2.391 30 10 JEEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1359303755 ZWVPIOXXNHYALO-DOTOQJQBSA-N 453.465 2.358 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN(C)Cc2ccccc2)C1 1359321879 MYWXUJVPCKOILC-NHCUHLMSSA-N 459.616 2.094 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccccc3OC)n2C[C@H]2CCCS(=O)(=O)C2)C1 1359325625 JFGBYPOWORGSSX-RTBURBONSA-N 476.599 2.472 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 1359332167 QPMPSHVEBFSVIP-UHFFFAOYSA-N 460.560 2.381 30 10 JEEE C=CCSCCn1c([C@H]2CCOC2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1359343290 PZOLQWQCBJFBGV-OALUTQOASA-N 462.664 2.271 30 10 JEEE CC[C@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCNC(=O)C(C)(C)C 1495773520 HYJYPBSTGGHUEG-DLBZAZTESA-N 453.595 2.331 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H](C)CNC(=O)OC(C)(C)C 1497085793 GZEIFSGOPTZZFH-RDJZCZTQSA-N 463.583 2.086 30 10 JEEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCCN1CCN(CC)CC1 1507654200 XSOISOFHAOFKKG-UHFFFAOYSA-N 497.688 2.493 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCOC(F)(F)F)CC1 1507721380 SMEDRVOOEYTDBY-UHFFFAOYSA-N 471.505 2.030 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccccc3)n2CC[C@@H](N2CCOCC2)C(F)(F)F)CC1 1507722632 CIJYCLDLRGZZMA-HXUWFJFHSA-N 462.520 2.354 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@@]2(N(C)C)CCC[C@H](C)C2)CC1 1507738006 HMJPTRBETVXYCK-UQBPGWFLSA-N 464.618 2.211 30 10 JEEE C=C(Cl)Cn1c(N2CCN3C(=O)OC[C@@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1507874296 RCOGENOXMFQUNT-ZNMIVQPWSA-N 452.943 2.442 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCn1cc(Br)cn1 1508018593 GREADJJOVOEBRD-CQSZACIVSA-N 455.382 2.018 30 10 JEEE Cn1cnc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)n1 1517401124 CAMANTCKBOLXAC-GOSISDBHSA-N 463.546 2.487 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3csc(C)n3)n2CC(=O)NCC(F)F)c1 1539046531 VIGNSURTTHARSW-UHFFFAOYSA-N 487.536 2.071 30 10 JEEE C#CCN(C)c1nnc(Cc2csc(C)n2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1539186129 CQOXEOOGTYZVRO-UHFFFAOYSA-N 450.616 2.288 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1539202007 DQUIYKRCOXACCX-ROUUACIJSA-N 470.599 2.378 30 10 JEEE C#CCN(c1nnc(-c2cc3ccccc3o2)n1CCNC(=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1539211329 HSCFDDICCFGUJR-SFHVURJKSA-N 483.594 2.480 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1cccc(NC(=O)OC)c1)[C@@H]1CCS(=O)(=O)C1 1539220832 MDRQUWTZEKWCPR-UXHICEINSA-N 487.582 2.373 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H]1CCCN1CCCO 1539312514 RRZSWSMQNYQZCH-XMMPIXPASA-N 457.582 2.441 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC[S@](=O)CC 1539315136 FNYFTFBSPBQZFV-MGBGTMOVSA-N 464.595 2.467 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(Br)s2)n1Cc1nnc2n1CCC2 1539399115 CNHLKJNLPYOBSU-UHFFFAOYSA-N 462.377 2.441 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccc(C)cc2O[C@@H]2CCOC2)CC1 1539427730 IJKONCGJVMIVAI-HSZRJFAPSA-N 494.640 2.476 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cccc(N(C)C)c2)CC1 1539467292 QXWNJSVNGQAQIX-UHFFFAOYSA-N 486.580 2.006 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2CCCC(=O)NC2CC2)CC1 1539482333 LLTCENIBESBXIR-UHFFFAOYSA-N 462.598 2.202 30 10 JEEE C=C(C)COCCn1c(N2CCN(c3ncccc3F)CC2)nnc1[C@]1(OCC)CCOC1 1539760005 RBDGHUDTHFEQHS-QHCPKHFHSA-N 460.554 2.384 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2oncc2C1)C(C)C 1540150914 AESDLWXAMPJLSV-QUCCMNQESA-N 474.631 2.430 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1CC1(NC(=O)OC(C)(C)C)COC1 1540198545 LPCLIVZIMNCMLR-KRWDZBQOSA-N 451.568 2.452 30 10 JEEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2ccccc2Br)C1 1540853730 LGPRLTVCEIYGTK-XJKSGUPXSA-N 470.393 2.415 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cc(Cl)ccc2OC)C1 1540882201 DJFQQIJYTRYAFI-RHSMWYFYSA-N 469.995 2.380 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(CSc3ccccc3OC)n2C[C@@]2(O)CCN(C)C2)C1 1540896866 VMASRNGGXALCPL-FDDCHVKYSA-N 459.616 2.427 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@@]2(CCOC2)C1 1540899285 JFWJHFBBOVXFMG-FQEVSTJZSA-N 470.954 2.334 30 10 JEEE CC(C)CCN(CCC#N)c1nnc(-c2nnc(O)c3ccccc23)n1CCS(C)(=O)=O 1541513054 GHBZVHGEIJZKHV-UHFFFAOYSA-N 457.560 2.405 30 10 JEEE CC(C)CCN(CCC#N)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@]1(O)CCN(C)C1 1541513722 DDZWQDKLNIUXMX-VWLOTQADSA-N 481.649 2.285 30 10 JEEE CC(C)N(C)S(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cc1 1543733962 ASSOBECOSSFDBS-KRWDZBQOSA-N 450.561 2.301 30 10 JEEE C#CCNC(=O)C1CCN(C(=O)c2cc(CN3C(=O)c4ccccc4C3=O)cc(C)c2O)CC1 1556346836 KSEUVJPBYIXDRP-UHFFFAOYSA-N 459.502 2.098 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)C[C@]2(O)CCCN(C(=O)OC(C)(C)C)C2)C1 1567387559 CPRMXEAMOCBDTK-PONJGIIJSA-N 452.552 2.014 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1Cc1c(CC)noc1C)[C@H]1CCS(=O)(=O)C1 1588035499 UKQJSQYVKYVPIC-SFHVURJKSA-N 499.593 2.496 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1CCc1cn[nH]c1)[C@H]1CCS(=O)(=O)C1 1588041412 WWXGQJAPCZXUII-INIZCTEOSA-N 462.938 2.330 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCCOc2ccc(F)cc2)CC1 1588923979 SKSQTLIFPXZLNN-OAQYLSRUSA-N 482.560 2.193 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1-n1cccn1 1589663393 MNXLIKCTRRPAQG-OAQYLSRUSA-N 485.614 2.247 30 10 JEEE C=C(C)COCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(C(=O)C(C)C)CC1 1593736147 XAGBELWODYXMNJ-UHFFFAOYSA-N 465.558 2.491 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCN(C)C(=O)C1 1595477141 RMMQURNIQFDYLO-INIZCTEOSA-N 460.966 2.269 30 10 JEEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 1595569848 PAJUEZAAWJUZFI-IFMALSPDSA-N 485.677 2.130 30 10 JEEE CC(=O)NCC1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(S(C)(=O)=O)CCC2)CC1 1596590478 BGMAYZSKODOKAM-UHFFFAOYSA-N 470.599 2.137 30 10 JEEE C=C(C)CN(CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)Cc1ccccc1 1617694249 RJBFLMLFOATKNW-UHFFFAOYSA-N 457.596 2.402 30 10 JEEE COc1ccc(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)cc1F 1619250440 GJGAKOUAAZTLLT-YWZLYKJASA-N 451.499 2.013 30 10 JEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)CC(=O)N1CCC(C(=O)OCC)CC1 1626511915 XBGIGNMOIZELFD-INIZCTEOSA-N 459.971 2.282 30 10 JEEE N#Cc1cccc(OC2CCN(C(=O)[C@H](CC(N)=O)NC(=O)c3ccccc3Cl)CC2)c1 1633108131 ANZYHXFVNHBYSP-FQEVSTJZSA-N 454.914 2.255 30 10 JEEE C#CCN(C(=O)c1ccc(CNS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1)C1CSC1 1640233895 RDUGWSAHDCDKOE-UHFFFAOYSA-N 457.577 2.314 30 10 JEEE N#Cc1cc(F)c(S(=O)(=O)N2CCN(Cc3nc(-c4cccs4)no3)CC2)c(F)c1 1653505061 BBQWZCVVSWKJST-UHFFFAOYSA-N 451.480 2.454 30 10 JEEE C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)NCc2cccc(CN3CCN(C)CC3)c2)cc1 1668816318 BKYXISSEJDURHI-GOSISDBHSA-N 455.584 2.441 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@@]1(C)CCCO1)[C@@H]1CCS(=O)(=O)C1 1689984909 XWAZPMUKRUJBQN-UZUQRXQVSA-N 474.583 2.158 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H](C)Oc1ccccc1OC)[C@H]1CCS(=O)(=O)C1 1689986101 IRQCSRIHZJOKNW-ICSRJNTNSA-N 481.578 2.443 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1cccc(C(C)(C)O)c1)[C@H]1CCS(=O)(=O)C1 1689990392 NUZUNUUDERRRDD-CTNGQTDRSA-N 472.611 2.075 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cn2nc(C)cc2C)n1CCNC(=O)c1cc[nH]n1 1690092409 HIBYEFLQKWGRBT-UHFFFAOYSA-N 475.532 2.072 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCCN2C[C@H](C)C[C@@H](C)C2)CC1 1690113432 JOOGWSGNJFKSOM-PLXFJCCSSA-N 472.678 2.442 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(F)ccc3Br)n2CC2(O)CCOCC2)CC1 1690114625 AUGMJZJPQDYIPM-UHFFFAOYSA-N 478.366 2.143 30 10 JEEE C=CC[C@@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cnn(C)c1)c1ccccc1 1690445492 YGOMSHYKXDCROP-VXKWHMMOSA-N 499.641 2.341 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H]2CCC[C@@H]21 1690672402 QOFSQLKWZPDJFV-SQNIBIBYSA-N 460.579 2.268 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(C)cc3)n2CCN2CCN(C(C)=O)CC2)C1 1690711411 ACJJUOXBQCAQAS-QHCPKHFHSA-N 468.602 2.111 30 10 JEEE CC(C)[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(S(C)(=O)=O)CC1 1691567919 HIYRAEJBLNNEJK-JOCHJYFZSA-N 461.588 2.149 30 10 JEEE CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCS(=O)(=O)C2)C1 1695407983 DTBBVBRQOAGCOW-PZJWPPBQSA-N 484.626 2.384 30 10 JEEE COc1ccccc1OCc1nnc(N2CCC(CC#N)CC2)n1CCC(=O)N1CCOCC1 1697612612 CPMXVHYFOWHIJQ-UHFFFAOYSA-N 468.558 2.245 30 10 JEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1CCc1nccnc1C)[C@@H]1CCS(=O)(=O)C1 1705570657 QCIGMKKPTUTHNG-HXUWFJFHSA-N 485.013 2.490 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(=O)N1CCCCC1 1705614288 DLUMSUVQZZUKGQ-IBGZPJMESA-N 474.606 2.449 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2Cc2ccc(C[S@@](C)=O)cc2)CC1 1705649230 PYQHKZXFPHMVLR-UUWRZZSWSA-N 478.622 2.176 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H]2CC(F)(F)CO2)CC1 1705650620 VPBAGHWXMSCRAM-QGZVFWFLSA-N 464.542 2.024 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccnc(OC(F)F)c2)CC1 1705651496 YPVWCCGTAULBNX-UHFFFAOYSA-N 498.538 2.150 30 10 JEEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 1705658163 GUKXKTQKTZAYAE-KRWDZBQOSA-N 454.556 2.116 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2cc(Br)c[nH]2)n1CC1(O)CCS(=O)(=O)CC1 1705711209 DJDRUNIODXQPFH-UHFFFAOYSA-N 472.409 2.378 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(NC(=O)CCC)CC1 1705792465 UIHNSWWWSLUBKW-LJQANCHMSA-N 496.678 2.098 30 10 JEEE C=CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1CCCN(C(C)=O)C1 1705884302 LJKSJGSCWNVXIF-OAQYLSRUSA-N 482.633 2.349 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1705904914 CDXHZVRBOJEHCX-UHFFFAOYSA-N 463.586 2.407 30 10 JEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(C(=O)NC2CCCCC2)CC1 1705907724 VJJOQRGULZEADQ-UHFFFAOYSA-N 482.633 2.107 30 10 JEEE CC(=O)N1CC[C@@H](CN(C)c2nnc(COc3ccc(C#N)cc3)n2Cc2nnc(C)s2)C1 1705966361 GFFVCQGKWAUFDO-SFHVURJKSA-N 466.571 2.242 30 10 JEEE C#CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](C(=O)NC)C1 1722317730 WQFZFZQUJSGNIK-RBUKOAKNSA-N 474.606 2.352 30 10 JEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1722326403 TUOFPCBMXNRSCF-HSZRJFAPSA-N 457.600 2.063 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1722375150 LHHLCPGXCGOILP-HXUWFJFHSA-N 471.525 2.427 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccc(C(F)F)c2)CC1 1722441757 UERRSHKBLXHZKQ-UHFFFAOYSA-N 458.513 2.368 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2CCCCN2CCOCC2)CC1 1722442713 ZXJRQDWOLDJYJW-UHFFFAOYSA-N 452.603 2.033 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc3cccnc23)nnc1N(C)CCNS(C)(=O)=O 1722493956 AXCRBRWXTWXPFI-WIYYLYMNSA-N 470.599 2.460 30 10 JEEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1722607370 UYYMZZBYSRCQLH-MJGOQNOKSA-N 474.587 2.096 30 10 JEEE C=CCCOCCn1c(N2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)nnc1C(C)(C)C 1722628203 YWDNWABCRYEVHE-UHFFFAOYSA-N 460.623 2.109 30 10 JEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 1722685288 CDTSGKSIJZVXEO-IEBWSBKVSA-N 477.562 2.035 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CC[C@H](C)[C@H](OC)C1 1722697643 NPJKZXYJUXRLIE-FXAWDEMLSA-N 479.585 2.399 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Br)c2)nnc1N1CCC(C(=O)NC)CC1 1722723710 CSPIIWBHMLRXAP-UHFFFAOYSA-N 496.431 2.271 30 10 JEEE C=CCSCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCO[C@@H](C(=O)NC)C1 1722738431 JKGXALXIJYPSPG-ZWKOTPCHSA-N 494.662 2.263 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CC[S@@](=O)C(C)(C)C 1723620709 FXPKCUXDSAWSDA-AONNBLCTSA-N 472.615 2.413 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(OCC(C)C)c1 1740549264 DSRCILSZAGOCGA-RXVVDRJESA-N 475.615 2.152 30 10 JEEE C#CCCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@H](C(=O)OC)C1 1740568165 SWXKMVISQRCUJM-KRWDZBQOSA-N 458.588 2.349 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(Br)c2)n1Cc1nnnn1CC1CC1 1740632911 QYZKXXVWNZQRJJ-UHFFFAOYSA-N 451.332 2.225 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Cl)c3)n2CCc2n[nH]c(C)n2)CC1 1740703236 KOVNJUZUYQCKPB-UHFFFAOYSA-N 452.950 2.234 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](CC)Oc2cccc(F)c2)CC1 1740705887 NSRKOEJGLZIQGR-CTNGQTDRSA-N 482.560 2.192 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1740761245 VCWOCANVYQSXJP-IRLDBZIGSA-N 474.631 2.011 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(F)cc3)n2CCC(=O)N2CCOCC2)C1 1740985645 RXRITNDADWIDSK-HXUWFJFHSA-N 459.522 2.026 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(Cc2cscn2)CC1 1740988307 AAWBDQCGEQWREL-UHFFFAOYSA-N 483.623 2.196 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccnc(OCc2ccccc2)c1 1741925066 GGYIDKIXVIBSOS-GAJHUEQPSA-N 499.572 2.353 30 10 JEEE CCO[C@]1(c2nnc(N(C)[C@H](C)CC#N)n2CCn2cc(Br)cn2)CCOC1 1746645850 ALHVDPOWENAKKV-RDTXWAMCSA-N 452.357 2.328 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1Cc1ccccc1CN1CCC(O)CC1)[C@H]1CCS(=O)(=O)C1 1748817807 QPDMSKGHRMPQTR-QHCPKHFHSA-N 499.681 2.108 30 10 JEEE C#CCN(c1nnc(COc2ccccc2CC)n1Cc1cnccc1OC)[C@H]1CCS(=O)(=O)C1 1748824182 KTMLEVYZMROPEY-NRFANRHFSA-N 495.605 2.498 30 10 JEEE C#CCN(CCOC)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1748968137 BKJTYRWZXIOANW-MBSDFSHPSA-N 473.599 2.084 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccc(Cl)c3)n2C[C@@]2(O)CCN(C)C2)n1 1748970838 UZARQQRCIYFNPK-XMMPIXPASA-N 484.004 2.148 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1749117899 ADBWXTPTGJICPI-QMHWVQJVSA-N 481.541 2.026 30 10 JEEE C=C(C)COCCn1c(Cc2ccccc2C)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1749231512 TVJNKMWZZQPBPM-HXUWFJFHSA-N 464.574 2.302 30 10 JEEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](N2CCCCC2)C1 1749402990 UGRXRSPEJHEQIR-VQTJNVASSA-N 466.652 2.032 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1749531730 MSWDDWMRCIJHMX-ATGHGOICSA-N 473.537 2.373 30 10 JEEE COCC[C@@](C)(O)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCO[C@@H](C#N)C1 1749601112 CIKAMYUHBXYJIC-IFXJQAMLSA-N 468.327 2.363 30 10 JEEE C=CCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)Nc2c(C)cccc2C)CC1 1749604322 INLDAXWXVITIGV-UHFFFAOYSA-N 451.575 2.078 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC2(CCC2)C1 1749669243 ITHMRGWTOXFJDL-QGZVFWFLSA-N 460.579 2.269 30 10 JEEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 1749743710 AFCONNUUNYUKOU-HOTGVXAUSA-N 488.680 2.253 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](OC)c1ccc(Cl)cc1 1760115940 CZPFRHHDOKEBBF-IPELMVKDSA-N 482.006 2.110 30 10 JEEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1760157347 MMKSPXLWLCXXHG-NRFANRHFSA-N 466.634 2.076 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc3cccnc23)n1C[C@@H]1CC(=O)N(CCOC)C1 1760214667 XIVJLEAOTDJDDP-HXUWFJFHSA-N 456.550 2.451 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H]1CC[C@]2(CCOC2)O1 1760245283 YITLWSMWAIAKFH-NTKDMRAZSA-N 456.543 2.386 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nnc(CC)s2)CC1 1760267611 SOJSOUOVITWIEN-UHFFFAOYSA-N 460.567 2.245 30 10 JEEE C=C(Br)Cn1c(CC)nnc1N1C[C@@H](C(=O)OC)[C@H](CNC(=O)OC(C)(C)C)C1 1760308357 BLYALXQSPJATLG-ZIAGYGMSSA-N 472.384 2.499 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1760312908 GLXBVBNYOSASDT-UXHICEINSA-N 473.622 2.125 30 10 JEEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1760355816 XECBCVYVRGUGCR-UHFFFAOYSA-N 458.563 2.293 30 10 JEEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1760380691 KUODAJKGRYEYTG-DVWBAYGPSA-N 481.041 2.134 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(NC(C)=O)cc2)CC1 1760401845 DMFSYHRMWBNUIB-NRFANRHFSA-N 488.614 2.020 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1760411698 QJTSPVZGMHWYAU-AZUAARDMSA-N 471.650 2.401 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(c2ccc(F)c(OC)c2)CC1 1760523621 CUGSAZCHMQRLPU-LJQANCHMSA-N 458.538 2.296 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@](C)(O)c2cc(C)oc2C)C1 1760541987 IZHYXIHWEQPLIP-NJNPRVFISA-N 464.588 2.079 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccnc(OC(F)F)c2)C1 1760542382 GQWNPHOGPITXQO-HZPDHXFCSA-N 469.514 2.006 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1760552746 ZNKFBOAVNWLCQF-NRFANRHFSA-N 486.598 2.349 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1760554545 GXBMUDAYILKHLR-RBUKOAKNSA-N 478.018 2.371 30 10 JEEE C=CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1760566337 REZCWMAHVRSSLE-FXAWDEMLSA-N 493.655 2.475 30 10 JEEE CC(C)N1CCC[C@H](Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCO[C@@H](C#N)C2)C1 1761184871 FNMCSNNUMNLOES-ICSRJNTNSA-N 472.615 2.198 30 10 JEEE CCCCN(CC)c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CCS(=O)(=O)CC1 1765764677 GNKLGEUJCSIWKT-UHFFFAOYSA-N 461.588 2.295 30 10 JEEE COc1cc(-c2nnc(N3CCC(C#N)CC3)n2CCCN2CCOCC2)cc(OC)c1OC 1769812122 HCQNFAYGVGMGRT-UHFFFAOYSA-N 470.574 2.433 30 10 JEEE CS(=O)(=O)N1CCC[C@@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@@](F)(C#N)C1 1771360565 BCNSJWCKWTZIIM-OXQOHEQNSA-N 482.969 2.376 30 10 JEEE C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@H](N1CCN(C(=O)OC(C)(C)C)CC1)C(F)(F)F 1772665803 KNOTWOFEZAZQJG-JYJNAYRXSA-N 450.502 2.360 30 10 JEEE CCOC(=O)CN(C)C(=O)[C@@H](CCSC)NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1 1868781875 BRMXYCCOTSXGMV-MSOLQXFVSA-N 480.656 2.284 30 10 JEEE C#CCOc1cn(CCc2ccc(S(N)(=O)=O)cc2)c(CNc2ccc3nc[nH]c3c2)cc1=O 1871008665 HSUWFOCCLNKOFX-UHFFFAOYSA-N 477.546 2.239 30 10 JEEE C=CCN(CC=C)c1nc(=NCCN2CCOCC2)[nH]c(=Nc2cccc(Br)c2)[nH]1 1871550851 BHHRDXSROHLDPB-UHFFFAOYSA-N 474.407 2.144 30 10 JEEE C=CCN(CC=C)C(=O)Cc1nonc1OCC(=O)Nc1nc(C)c(C(=O)OCC(C)C)s1 1872637310 VBSNRMURJXHBSJ-UHFFFAOYSA-N 477.543 2.408 30 10 JEEE COC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)(C)C)C2)n1/N=C/c1ccccc1[N+](=O)[O-] 1874277647 BAOFOEGSDTXEFS-YVJZOELXSA-N 460.516 2.448 30 10 JEEE CCCNC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1ccc(C(=O)O)cc1 1874338829 ZFVLQNRPMNFPID-PKOLSWDWSA-N 472.571 2.201 30 10 JEEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)[C@@H]3CCCN3c3ccccn3)CC2)CC1 1889450342 WRBUGWOPRFJQDP-DEOSSOPVSA-N 453.631 2.087 30 10 JEEE CN1CCN(CC#CCOC2CCN(C(=O)c3ccc(Br)cc3[N+](=O)[O-])CC2)CC1 1890251161 URRAEFVVQGOHKC-UHFFFAOYSA-N 479.375 2.229 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2124539712 YQHXLECASIREJO-PBHICJAKSA-N 450.316 2.434 30 10 JEEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(S(N)(=O)=O)cc1Br 2181117013 MIOLKQUKPSPEFY-CQSZACIVSA-N 460.350 2.342 30 10 JEEE CC(C)(C)OC(=O)N1CC([C@H](F)CNC(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)C1 2255536973 PPCJUKQMJVZHHI-CQSZACIVSA-N 455.361 2.377 30 10 JEEE C[C@H](CNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)OC(C)(C)C 2255795196 TYBNYHMFVUFVEK-CYBMUJFWSA-N 475.442 2.117 30 10 JEEE CC(C)(C)OC(=O)N1CC(O)(CC(=O)NCc2sccc2B2OC(C)(C)C(C)(C)O2)C1 2256620369 HNFSRTQIYHUOMP-UHFFFAOYSA-N 452.382 2.035 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H]1C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)s1 2256624170 KNVNRYKHKKIUGW-DZGCQCFKSA-N 452.382 2.034 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](OCC(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C1 2256670703 IEZZKMXAVLLGOH-CYBMUJFWSA-N 453.370 2.407 30 10 JEEE CC(C)(C)OC(=O)N[C@H](C(=O)N1C[C@H]2[C@H](B3OC(C)(C)C(C)(C)O3)[C@H]2C1)[C@H](O)C(F)(F)F 2265312182 PUYNSJMTUBCYAH-ZSLBOAEBSA-N 464.290 2.354 30 10 JEEE CC(C)(C)OC(=O)NCC[C@H](O)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1F 2268713236 ZXPHIHFNDSXZLL-AWEZNQCLSA-N 456.295 2.478 30 10 JEEE Cn1cc(C(=O)NCC2CC3(CCN3C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2281961247 KMKRBZPKXXGAAE-UHFFFAOYSA-N 460.384 2.239 30 10 JEEE Cn1cc(C(=O)N2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)nc1B1OC(C)(C)C(C)(C)O1 2282053669 WQEGSIGBPJJIHU-HZPDHXFCSA-N 460.384 2.048 30 10 JEEE COC1(CCNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)CN(C(=O)OC(C)(C)C)C1 2282177729 IYGFXVGSMSLFBP-UHFFFAOYSA-N 461.368 2.137 30 10 JEEE COC[C@]1(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cn2C)CCN(C(=O)OC(C)(C)C)C1 2282181992 NPCSKQKNIXHATC-QHCPKHFHSA-N 463.384 2.080 30 10 JEEE CC(C)(C)OC(=O)NCC1(CNC(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2F)COC1 2282414405 SCBYDULVSFNEOW-UHFFFAOYSA-N 464.343 2.396 30 10 JEEE Cn1ncc(C(=O)N2CCCC3(CN(C(=O)OC(C)(C)C)C3)C2)c1B1OC(C)(C)C(C)(C)O1 2282575189 ZOQAEJCUPSOMBE-UHFFFAOYSA-N 460.384 2.192 30 10 JEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)CC2)n1 2282656155 RHNLNWAIIKOTAP-CABCVRRESA-N 463.388 2.070 30 10 JEEE CC(C)(C)OC(=O)N1CC(N(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C2CCC2)C1 2282704173 HFRDSUZTELIVJJ-UHFFFAOYSA-N 458.368 2.390 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](NS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)[C@H]2C[C@H]21 2282842562 ACDNHRDJXGXUDJ-IJEWVQPXSA-N 499.464 2.260 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(O)cc1O)C1CC1 2282970066 KEIRHUDODGFVOR-MRXNPFEDSA-N 462.352 2.430 30 10 JEEE CC(C)(C)OC(=O)N1CC(O)(C(F)(F)C(=O)NCc2sccc2B2OC(C)(C)C(C)(C)O2)C1 2283947328 YYDPYDGZTODALG-UHFFFAOYSA-N 488.362 2.281 30 10 JEEE CO[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)C1 2284047446 FXVSHYQRPIOSKL-HOCLYGCPSA-N 481.424 2.473 30 10 JEEE CN[C@H](C#Cc1ccc(Br)cc1)[C@@H](NC(=O)OC(C)(C)C)C1CS(=O)(=O)C1 2296291340 NJJWAIHQZAYMMQ-SJORKVTESA-N 457.390 2.327 30 10 JEEE COc1ccc(Cc2nnc(SCC(N)=O)n2N=Cc2ccc(N(C)C)cc2)cc1OC 2326738664 IQDZIAIJZVEECT-UHFFFAOYSA-N 454.556 2.412 30 10 JEEE CC(=O)NCc1nnc(SCC(=O)NC2CCCCC2)n1N=Cc1ccc(C(=O)O)cc1 2330770006 RQFAOGZBFYFDRZ-UHFFFAOYSA-N 458.544 2.036 30 10 JEEE CO[C@@H](CNC(=O)OC(C)(C)C)CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn1C1CC1 2365476293 CWAZKPXHMBDPBG-QGZVFWFLSA-N 463.384 2.392 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C(=O)O)N(c2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)C1 2371982261 HNDCOVZWNQQHTG-CZUORRHYSA-N 465.331 2.467 30 10 JEEE COc1ccc(CNC(=O)CCSc2nnc(N/N=C/c3cnn(C(C)C)c3)n2N)cc1 20921431 SEPKGXAGUSEVIY-FOKLQQMPSA-N 457.564 2.023 30 10 JEEE N#Cc1ccc(OC2CCC(NS(=O)(=O)c3cc4c5c(c3)CCN5C(=O)CC4)CC2)nc1 585353811 GFXMJVDLWFITBL-UHFFFAOYSA-N 452.536 2.457 30 10 JEEE C#CCN(C(=O)CSc1nnc(-c2ccco2)n1-c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1125954131 PNMUXYPBZGNPBA-QGZVFWFLSA-N 456.549 2.268 30 10 JEEE CS(=O)(=O)CC[C@H](NC(=O)c1ccccc1Cl)C(=O)NCc1ccc(C#N)c(F)c1 1161843526 HYOYDGLLUVIFJY-SFHVURJKSA-N 451.907 2.200 30 10 JEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCN(C(=O)c3ccc(O)cc3)CC2)cc1 1198244440 OGRRAXZQIRUSFI-UHFFFAOYSA-N 458.540 2.189 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H]2CCN(CC)C2)c1 1286310391 YBKVSZWDHAAOSJ-QFQXNSOFSA-N 480.613 2.328 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3noc4c3COCC4)n2CCN(C)C(C)C)c1 1286310635 WUNJDTYSNGFAED-UHFFFAOYSA-N 477.569 2.402 30 10 JEEE C#CCN(c1nnc(C2CCCC2)n1CCc1ccc(S(C)(=O)=O)cc1)[C@H]1CCS(=O)(=O)C1 1286390498 AKQZVAYLVCNWBE-FQEVSTJZSA-N 490.651 2.209 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccccc1COCCC)[C@H]1CCS(=O)(=O)C1 1286392678 JFMGIDCBDJPVDD-YADHBBJMSA-N 472.611 2.384 30 10 JEEE C#CCN(CCOC)c1nnc(Cn2ccc3ccccc32)n1CCN1CCOCC1(C)C 1286469812 ZWBUBBDSMLWMFR-UHFFFAOYSA-N 450.587 2.478 30 10 JEEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1286503163 AYCPYARQRLGCRZ-IBGZPJMESA-N 467.643 2.276 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2cccc(C)n2)n1CCS(=O)(=O)N1CCSCC1 1286573429 KYNFKIXYPLMHJL-UHFFFAOYSA-N 450.634 2.430 30 10 JEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)c2ccccc2)CC1 1286601697 OPJNVBVJEIFVSS-UHFFFAOYSA-N 452.559 2.069 30 10 JEEE C=CCC(C)(C)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCN(CCOC)C(=O)C1 1286674096 LUNOMOVVIGGCPU-UHFFFAOYSA-N 451.575 2.414 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OCCCC)c(OC)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1300290634 OCTQRYKZAVJAJZ-UZUQRXQVSA-N 476.599 2.140 30 10 JEEE C#CCN(c1nnc(C2CCN(c3ncccn3)CC2)n1CCCCC=C)[C@@H]1CCS(=O)(=O)C1 1300495040 BYMHGUVUOCHCJS-OAQYLSRUSA-N 483.642 2.435 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@](C)(O)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 1300496545 SBVORPAEMBJBSM-RFWXGWTQSA-N 464.632 2.130 30 10 JEEE C#CCN(c1nnc(COc2ccccc2OCC)n1C[C@@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1300504947 WLVKEVVAIWGSEA-UXHICEINSA-N 488.610 2.452 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1CC1CCN(C(C)=O)CC1 1300513027 QBYBYBMJGIYZHV-UHFFFAOYSA-N 457.376 2.377 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CC(=O)NCCC)CC1 1300715687 BQQBTJBMKPULOU-NRFANRHFSA-N 450.587 2.312 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2cc(C)no2)CC1 1300875742 QEHABFULOOUVQR-AZUAARDMSA-N 457.579 2.016 30 10 JEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 1301066707 TUTRIWBFCLDODF-IAGOWNOFSA-N 468.624 2.444 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCCN(CC)C(=O)C1 1301592903 GJYBWKCOSOYRLR-UHFFFAOYSA-N 475.615 2.133 30 10 JEEE C[C@@H]1CN(CCCn2c(N3CCN(c4nccnc4C#N)C[C@H]3C)nnc2C(C)(C)C)C[C@@H](C)O1 1305220879 HIPCAHDQWFJZLO-VAMGGRTRSA-N 481.649 2.452 30 10 JEEE CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)CCCO2)CC1 1305643463 HMJLTACZEZKGAJ-UQBPGWFLSA-N 465.602 2.423 30 10 JEEE CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)N(C)C[C@H](O)c2cccc(C#N)c2)cc1 1306872183 KNFFAVQUZQVZHA-QFIPXVFZSA-N 457.552 2.354 30 10 JEEE C=CCS(=O)(=O)CCNC(=O)N1CCC[C@H]([C@H]2C[C@H](NC(=O)OC(C)(C)C)CCO2)C1 1312353275 FWMKQGRTKMGAAT-RCCFBDPRSA-N 459.609 2.081 30 10 JEEE COCCN(CCC#N)c1nnc(-c2ccc(Br)s2)n1Cc1cnnn1C 1316098664 HBKXJILCCGRROB-UHFFFAOYSA-N 451.354 2.312 30 10 JEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H]1CN(CC)c2ccccc2O1 1358929537 BZBIATSAVZMSKU-MOPGFXCFSA-N 457.600 2.317 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCCOC(F)F)[C@@H]1CCS(=O)(=O)C1 1358955130 FIKPQOKPYSBOMY-GOSISDBHSA-N 495.552 2.403 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1[C@@H]1C[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1358957236 RNTQKCDEAAZJFF-AEGPPILISA-N 452.378 2.254 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1CCCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1358965570 XJKQHBVTHXIPJK-FQEVSTJZSA-N 459.591 2.121 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2Cc2cc3c(cc2OC)C[C@H](C)O3)CC1 1359030023 MKLVFMCMGAEISM-OALUTQOASA-N 469.586 2.138 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2Cc2ncnn2C(C)(C)C)CC1 1359033114 QFOWIOZSFMPQBP-UHFFFAOYSA-N 464.574 2.112 30 10 JEEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1359054767 GQBKQULZAOKMLB-OAHLLOKOSA-N 474.587 2.476 30 10 JEEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1359056206 AMMCCXPNPMBLMB-BVSLBCMMSA-N 474.675 2.265 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N(C)CCN2CCOC(C)(C)C2)nnc1[C@]1(OCC)CCOC1 1359104855 GOMJCUMIVNVGFZ-CZSZKKDXSA-N 477.650 2.458 30 10 JEEE C=C(C)COCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1359134551 ZOZYZVGFCVEDIA-INIZCTEOSA-N 469.558 2.210 30 10 JEEE C=CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1359217190 QSTFKSKMOBIYGS-FGTMMUONSA-N 476.578 2.487 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1359296074 WDSGUELVCWVAHI-KRWDZBQOSA-N 470.574 2.100 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(C(F)(F)F)c1 1359300443 BPJHGCPZKQRJDL-HNNXBMFYSA-N 471.505 2.138 30 10 JEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1359302907 XTLRWKUZKJNPEF-FQEVSTJZSA-N 463.567 2.386 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC(c3ncc(C)s3)CC2)nnc1[C@]1(OCC)CCOC1 1359305914 QNUNELBESWNGMD-QFIPXVFZSA-N 460.604 2.381 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N(C)C[C@H]1COc2ccccc2O1 1359331640 DXPTYGPTRNRBPQ-PXNSSMCTSA-N 462.572 2.397 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1359333738 IIGLZBLAJVDZMJ-UHFFFAOYSA-N 490.630 2.169 30 10 JEEE CC(C)(C)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCS(C)(=O)=O)CC1 1359549889 GCERPBVWIYCHGO-UHFFFAOYSA-N 460.604 2.084 30 10 JEEE N#Cc1ccc(N2CCC[C@H](NC(=O)CC[S@@](=O)c3ccc4c(c3)OCCO4)C2=O)cc1 1466821380 FTDMZUZGFYXSAX-PSTIOWGYSA-N 453.520 2.139 30 10 JEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc4c(c3)N(C(N)=O)CC4)CC2)cc1 1467693481 FRTJJVVUJUSVNP-UHFFFAOYSA-N 453.524 2.039 30 10 JEEE CC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCOC[C@@H]2OC)CCN1CCOC 1499680518 HMRVFOLLIPXRPG-ZLNRFVROSA-N 468.602 2.415 30 10 JEEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCN(C)c2ccccc2F)CCOC1 1502727718 CCKBZQWVLXRKML-WZONZLPQSA-N 458.538 2.325 30 10 JEEE COc1ccc(-c2nnc(N3CCC(C#N)CC3)n2CC(=O)N2CCOCC2)cc1Br 1504171552 GWACTCRBVQSXOI-UHFFFAOYSA-N 489.374 2.315 30 10 JEEE N#C[C@@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccccc2Br)C1 1505314529 FTVISNGRZCSOQG-KSSFIOAISA-N 468.352 2.433 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1OC(F)(F)F 1507539648 XCSJBBFOJBSCDU-WMLDXEAASA-N 487.504 2.016 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCCOC[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 1507629473 UHVOOAYABWETKY-RBUKOAKNSA-N 494.017 2.206 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1CCCCN1C[C@H](C)C[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1507630532 BJMQHTRGCLXJGB-NJYVYQBISA-N 485.658 2.120 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CC(C)(C)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1507631021 AZOKIDZEGVEIFX-QZTJIDSGSA-N 495.646 2.450 30 10 JEEE C#CCN(c1nnc(Cn2ccc3ccccc32)n1C[C@@H](C)COC)[C@H]1CCS(=O)(=O)C1 1507640365 QKCZGNIUBRFKFD-QUCCMNQESA-N 455.584 2.190 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H]2CCC[C@@H](O)C2)CC1 1507734989 GOBIJWDLQOERCQ-AZUAARDMSA-N 481.597 2.479 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2CC(C)(C)N2CCOCC2)CC1 1507740512 AUHILBRWIVTYGN-UHFFFAOYSA-N 498.603 2.073 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@H](c2cccc(F)c2)N(C)C)CC1 1507741683 YMZBITFEDTUZON-OAQYLSRUSA-N 456.566 2.222 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CCO)Cc1ccccc1OC 1507797877 MQLQFFGBHQCKEG-SJBKTWHCSA-N 490.626 2.169 30 10 JEEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1508047290 DYEPJAIYPAVWEE-UHFFFAOYSA-N 473.584 2.241 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCCN(C(C)=O)CC1 1508072041 DQZXMGFXAQJLPP-INIZCTEOSA-N 460.966 2.432 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C(C)(C)C)CC1 1508073357 WBCDZFVMCCDIDT-UHFFFAOYSA-N 453.591 2.370 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCCN(c2nccc(OCC)n2)CC1 1508078477 BLSRTIVSWQAUIF-UHFFFAOYSA-N 462.558 2.153 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1508139482 APGHLMPJGVLNFS-HXUWFJFHSA-N 479.647 2.349 30 10 JEEE CCN(C)C(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC[C@](C)(C#N)C1 1515322532 ATQMEPFIHPKOAZ-XMMPIXPASA-N 462.558 2.283 30 10 JEEE CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@@H](C)CN1CCCCC1 1516586177 HJRQBSCHJCNGRX-IBGZPJMESA-N 469.638 2.177 30 10 JEEE CO[C@H]1COCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1518645323 GFXGXJUDVYMNJQ-ADGBJGEGSA-N 498.628 2.326 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCN1c1cnn(C)c1 1539015090 NYGRXLOXSVBUMU-SFHLNBCPSA-N 498.632 2.447 30 10 JEEE C#CCN(C)c1nnc(-c2ccc(Br)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1539159484 XMXUFWLBRDIVRC-AWEZNQCLSA-N 452.378 2.059 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1cccc(C(C)(C)O)c1)[C@H]1CCS(=O)(=O)C1 1539219445 CJLWSPVHFZMUFQ-SFTDATJTSA-N 472.611 2.422 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccccc1CN(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1539222237 UVMQUWFLBQMCOK-PKTZIBPZSA-N 485.654 2.297 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2cccnc2)n1CCC[C@@H]1NC(=O)NC1=O 1539392930 XHOIXIYUBBVROO-FQEVSTJZSA-N 461.501 2.031 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2CCn2cc([C@@H]3CCOC3)cn2)CC1 1539468294 CNQMUGJFXKTNHY-UYAOXDASSA-N 453.591 2.158 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2Cc2cccc(C(=O)NCC)c2)CC1 1539475433 GFJQTHJJMFCZAB-UHFFFAOYSA-N 471.565 2.104 30 10 JEEE C=C(C)COCCn1c(-c2cccc(C#N)c2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1539735443 KCAPEQIHIIAFHJ-HXUWFJFHSA-N 463.542 2.176 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C(C)(C)O)c1 1540171186 WMKDFHXLNFTKPR-HXUWFJFHSA-N 475.615 2.065 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1540871509 NFJBEABYLMKVIF-QAPCUYQASA-N 480.491 2.166 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)C2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)s1 1558830297 CPCIPWVJRAZMJJ-GJZGRUSLSA-N 455.602 2.079 30 10 JEEE C=CCS(=O)(=O)CCNC(=O)N1CCC(C(=O)Nc2cccc(Br)c2)CC1 1564417015 JXGLIUFLRCYVMU-UHFFFAOYSA-N 458.378 2.410 30 10 JEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(C(=O)NCCC(N)=O)ccc1F 1584874764 XYXKJHQHRCCGHR-OAHLLOKOSA-N 456.902 2.405 30 10 JEEE C=C(Cl)C[C@H](NC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1)C(=O)OCC 1588122029 KYUXWEDCOXUWJO-MPGHIAIKSA-N 458.964 2.289 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccccc1Cl)N(C)C 1588647658 XJVWWDDVALALJG-XLIONFOSSA-N 480.034 2.223 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 1593746748 MBLZGMKZAVICRN-FQEVSTJZSA-N 479.647 2.144 30 10 JEEE C=CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1594582035 LHFXYXOQTDHEOQ-KRWDZBQOSA-N 460.604 2.219 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCN(c2cc(F)ccc2F)CC1 1595812027 KZKGGBVQGGFNKI-UHFFFAOYSA-N 488.564 2.470 30 10 JEEE C[C@H](C#N)CN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCN1CCOC[C@H]1C 1596781789 FCJWFCFMWJUZKP-IAGOWNOFSA-N 459.982 2.178 30 10 JEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC(C)(NC(=O)OC(C)(C)C)CC1 1616450646 FWCGZFOSWJMIOT-OAHLLOKOSA-N 450.561 2.131 30 10 JEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N(C)CCN2C(=O)c3ccccc3C2=O)cc1 1622886749 ROQWLVCENPVVEH-UHFFFAOYSA-N 456.524 2.253 30 10 JEEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@](C)(Cn2cnc3ccccc32)C(=O)OC)c1 1645543229 BJCFSNXZIMJROW-HSZRJFAPSA-N 453.520 2.195 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(CN2CCC(O)CC2)cc1 1649538961 ISEJYCKFEKHNNS-IBVKSMDESA-N 467.614 2.393 30 10 JEEE CC(=O)N1CCc2ccc(S(=O)(=O)N3CCN(c4cccc(F)c4C#N)CC3)cc2CC1 1660579615 CHSFTGODVHNYBW-UHFFFAOYSA-N 456.543 2.155 30 10 JEEE N#Cc1c(F)cccc1N1CCN(C(=O)NCc2ccc(N3CCCS3(=O)=O)cc2)CC1 1671403546 AJOVVWJEQKHARL-UHFFFAOYSA-N 457.531 2.269 30 10 JEEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2CCC[C@H]2c2ccccc2C(F)(F)F)CC1 1685724687 YFQNRKBDEQAWTN-WMZOPIPTSA-N 458.506 2.136 30 10 JEEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1ccnc(OCC(F)(F)F)c1 1689954102 LNQRVMFTFSTVFW-UHFFFAOYSA-N 469.431 2.375 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2nc3cccc(Cl)c3n2C)CC1 1690112407 XISBYJOKRXFFJH-QGZVFWFLSA-N 471.993 2.346 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H](CC)N2CCCC2)CC1 1690137539 CDYXSSMATKBWMI-BKMJKUGQSA-N 486.661 2.159 30 10 JEEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 1690172965 SHAAARUOGJSSDF-ICSRJNTNSA-N 481.688 2.369 30 10 JEEE C=C(Br)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC(=O)N(C)C[C@@H]1C 1690229072 MVSREWXRUIEYDH-LSDHHAIUSA-N 499.410 2.162 30 10 JEEE C=C(C)COCCn1c(-c2ccc(C)o2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1690304888 QFMGCXRDXILJJJ-UHFFFAOYSA-N 484.601 2.380 30 10 JEEE C=C(Cl)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1690351540 WQEURYJKJQCGBU-GOEBONIOSA-N 450.996 2.179 30 10 JEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)c1nccs1 1690485546 WLQKVKUBKOCCNK-CVEARBPZSA-N 454.622 2.274 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2Cc2ccn(C)n2)C1 1690684987 SVQJEBAETGHQRK-LJQANCHMSA-N 455.950 2.425 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC2(O)CCOCC2)C1 1690688455 VQLHSPKCHNXVNM-HNNXBMFYSA-N 452.353 2.359 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC(=O)N(C)[C@H](C)C1 1690715326 IYMRYYHQNDMHST-HZPDHXFCSA-N 482.006 2.339 30 10 JEEE C=CCSCCn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1690742686 YFXVVIDBWWDSJI-INIZCTEOSA-N 453.576 2.100 30 10 JEEE CC(C)(O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1691359140 HLYHROWXABVSDK-MRXNPFEDSA-N 480.491 2.395 30 10 JEEE CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)CCCS2)CC1 1695929469 CMBDLVKJKIUREF-HSZRJFAPSA-N 453.616 2.361 30 10 JEEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNC(=O)OC(C)(C)C 1696689085 FFSDHJOQDBOPKI-GOSISDBHSA-N 474.587 2.213 30 10 JEEE COCc1nc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@](C)(C(N)=O)C2)cs1 1697833167 CGIGIPHNDRJJOS-JOCHJYFZSA-N 467.555 2.082 30 10 JEEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCc1ccc(S(C)(=O)=O)cc1 1705552651 NFXVRUGVBYVFIJ-UHFFFAOYSA-N 479.610 2.168 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1CCCN1CCCO[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1705563961 ILHSZVVLQMCXJN-FCHUYYIVSA-N 485.654 2.381 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccnc(OC(F)F)c2)CC1 1705648292 PYXZBLGSSQMBJD-GOSISDBHSA-N 474.512 2.183 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](c1cccs1)N1CCOCC1 1705667675 ZVLHDAKVJLIKNU-NJNPRVFISA-N 492.671 2.015 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2ncccn2)CC1 1705695063 VBCJODPBAJVYCU-UYAOXDASSA-N 468.606 2.294 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(C(N)=O)CCOCC1 1705716911 YPEODEFKLFVRPN-SFHVURJKSA-N 492.621 2.271 30 10 JEEE C=C(Cl)Cn1c(N2CCN(c3nccnc3C#N)C[C@@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 1705760759 RFTBDFDOORKJLT-HTAPYJJXSA-N 472.981 2.448 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1705791380 UWAPIHWJKLCTTK-PMACEKPBSA-N 471.650 2.355 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC([C@@H]3CC3(F)F)CC2)nnc1[C@]1(OC(C)C)CCOC1 1705908708 UJDORFBSPNFUMF-UWJYYQICSA-N 453.534 2.493 30 10 JEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1705946470 ISSBREQAGAQPLF-HUUCEWRRSA-N 467.583 2.172 30 10 JEEE CNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](N2CCOCC2)C(F)(F)F)CC1 1711351971 FNFADOFOKJDDRS-IBGZPJMESA-N 491.518 2.042 30 10 JEEE C#CCCCn1c(Cc2c(F)cccc2F)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1722337194 XNKSDYMMQYANJT-HSZRJFAPSA-N 456.497 2.375 30 10 JEEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1722337507 CDMXLJWLLFLWLS-LJQANCHMSA-N 457.579 2.283 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCOc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1722368418 RDPCUJCYQUMGAN-QUCCMNQESA-N 476.574 2.407 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2CCNC(=O)[C@H](C)CCC)CC1 1722432520 AKSPNZZMBZWOSC-QGZVFWFLSA-N 490.450 2.354 30 10 JEEE C#CCN1CCN(c2nnc(-c3cnccn3)n2Cc2ccccc2OCC(F)(F)F)CC1 1722438189 OAUOXUSMHLBZPO-UHFFFAOYSA-N 457.460 2.480 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CC2(C(=O)N(C)C)CCCC2)CC1 1722447337 HZIMYLKYNSLYON-HXUWFJFHSA-N 470.618 2.134 30 10 JEEE C=C(Br)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(CCOC)CC1 1722484084 FYELLAQBDHYJRR-UHFFFAOYSA-N 464.364 2.393 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1722493526 ZBLOGOXQQZTZSO-ORVPSHMPSA-N 474.606 2.469 30 10 JEEE C=C(C)Cn1c(-c2cccnc2)nnc1N1C[C@@H]2[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1722522670 JWDCQGWBQAQMFD-FGTMMUONSA-N 474.587 2.043 30 10 JEEE C=CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@H](C)CS(=O)(=O)CC 1722615066 YOVXDJMDFHCBLP-MRXNPFEDSA-N 458.588 2.418 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccc(S(C)(=O)=O)cc2)C1 1722710349 HIZIIWYTEBYQQD-AUSIDOKSSA-N 476.599 2.163 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1722751761 UEZFGSSYHBDTAG-GOSISDBHSA-N 471.583 2.192 30 10 JEEE CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@H](C)N2CCCCC2)CCO1 1722841065 BGKHHFNAKHMLLG-WMZHIEFXSA-N 465.602 2.423 30 10 JEEE COc1cc(Cl)ccc1-c1nnc(N2CCC(C#N)CC2)n1CCS(=O)(=O)N(C)C 1729994740 CNTWHFOZFHQUHZ-UHFFFAOYSA-N 452.968 2.238 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CC(C)(C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 1740624213 DRDSRAIGQLMRKI-NRFANRHFSA-N 470.643 2.013 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCCC(=O)N(C)C)CC1 1740702568 SISGFFALDSQSLS-SFHVURJKSA-N 484.576 2.391 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@](C)(O)C2CC2)CC1 1740707872 UAXRXZFUUPQNOF-FHAGJXEFSA-N 457.619 2.324 30 10 JEEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1740714285 YPENWJGUFHHGEP-IBGZPJMESA-N 471.627 2.487 30 10 JEEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1740794335 XPGJDUVWNGDTPN-GOSISDBHSA-N 452.563 2.431 30 10 JEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 1740795701 AXTJHAYWDANIHR-IBGZPJMESA-N 460.623 2.372 30 10 JEEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1740850110 DGIJTGWHELHAEI-UHFFFAOYSA-N 468.606 2.436 30 10 JEEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 1740961176 NXWONILWVHRLGA-QGZVFWFLSA-N 475.540 2.471 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1740964065 GBCIFROKMZPEKB-UZUQRXQVSA-N 459.522 2.073 30 10 JEEE C=CCNC(=O)Cn1c(N2CC[C@@H]3[C@@H](COC)[C@@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740965761 SGINBKIPDCYJMY-ZWJWXYIHSA-N 474.606 2.070 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1740969522 QJSAXKXJGLFCTF-DFQSSKMNSA-N 476.599 2.033 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1CCN1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1748811487 HUVJGZUWNTVKIO-HXUWFJFHSA-N 471.627 2.312 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1Cc1nc(C(C)C)cs1)[C@H]1CCS(=O)(=O)C1 1748825395 YHUCLKBAJXASSV-ZWOKBUDYSA-N 493.655 2.257 30 10 JEEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H](c1ccccc1)N1CCOCC1 1748830522 XXGBCNBDZWCEQL-SQHAQQRYSA-N 477.609 2.465 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@](C)(OC)C1CC1 1748964016 DVSRXXOMJVDCNZ-CYFREDJKSA-N 477.606 2.488 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1749102459 MSQDDWGIXAHPIQ-ATZDWAIDSA-N 481.439 2.070 30 10 JEEE C=C(Br)Cn1c(Cn2nc(C)cc2C)nnc1N(C)[C@H](C)CS(=O)(=O)CC 1749109186 FNLSDOPYMXGILZ-OAHLLOKOSA-N 459.414 2.308 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 1749114953 JNZRUJRMMCUAMA-QFBILLFUSA-N 472.550 2.344 30 10 JEEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)Nc2ccc(C)cn2)CC1 1749170398 NJRPDOJOKOASGM-MRXNPFEDSA-N 461.592 2.023 30 10 JEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(N(C)C)c(F)c1)C1CC1 1749519226 GXPINVOTXMLXKL-HXUWFJFHSA-N 478.594 2.019 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1749659533 GLYJGYJSCJOXFM-QGZVFWFLSA-N 486.573 2.368 30 10 JEEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)Cc1ccc(C)o1 1749668691 CPZGWQFWNSJGQB-UHFFFAOYSA-N 450.547 2.292 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CC1CC(F)(F)C1 1749669067 GWTWHESPUQJPOF-MRXNPFEDSA-N 484.548 2.370 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(-n3ccnc3)c(F)c2)C1 1749696527 CSXONMXCZNTYLF-AEFFLSMTSA-N 489.577 2.043 30 10 JEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 1749756303 WIGKMFJCQHHZCU-KRWDZBQOSA-N 493.655 2.400 30 10 JEEE CC(C)[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1750584431 ICZBCVOMOFDURO-SANMLTNESA-N 489.580 2.493 30 10 JEEE C#CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(=O)NCC(F)(F)F 1760172542 SNOGCKRVCHNCDL-AWEZNQCLSA-N 458.485 2.141 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(O)CCCCC1 1760203646 LGNIFOCLVWWCOJ-IBGZPJMESA-N 457.575 2.355 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1conc1COC 1760235766 WOPAWCDGVOEODF-SFHVURJKSA-N 460.535 2.229 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CCOC[C@@H]1OC 1760253973 ZVGZEHTVSSICED-HAGHYFMRSA-N 477.606 2.186 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cc(Cl)ccc2OC)CC1 1760265377 ZSFIWFGBYFCUCN-UHFFFAOYSA-N 484.988 2.190 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@](C)(O)C2CC2)CC1 1760270825 BQUUKIRUCOCAHZ-XMMPIXPASA-N 455.534 2.123 30 10 JEEE C=C(Br)Cn1c(CNC(=O)c2cccs2)nnc1N1CCCN(C(C)=O)CC1 1760310507 IBGVCCTWMXMBIE-UHFFFAOYSA-N 467.393 2.237 30 10 JEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1760348786 MHKIXLDAGGHDKU-UHFFFAOYSA-N 456.522 2.099 30 10 JEEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](c2noc(C3CC3)n2)C1 1760366162 RHBLEEOCQMBJTF-JSGCOSHPSA-N 455.972 2.285 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)c2ccsc2)CC1 1760373963 FZJAAGOSDWTTLO-OAHLLOKOSA-N 470.020 2.393 30 10 JEEE C=C1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CCN(C)CCOC)CC1 1760388283 KVJMEPFXTNANNO-UHFFFAOYSA-N 451.575 2.410 30 10 JEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](Oc2ncccc2F)C1 1760433288 RDIRSMMWRWADTH-HOTGVXAUSA-N 452.556 2.436 30 10 JEEE C=CCN(CC=C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1(O)CCOCC1 1760493845 COJGUCBXSYIZBC-UHFFFAOYSA-N 450.543 2.395 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccnc(C(F)(F)F)c1 1760495440 NZUJRJHBWLKLKY-MRXNPFEDSA-N 486.520 2.252 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H](C)[C@H]1CC 1760517464 MWVZRBZJEYFGHW-VQIMIIECSA-N 460.604 2.122 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](NC(C)=O)C1 1760532564 YQGFOQFCAGXWKK-FQEVSTJZSA-N 452.559 2.232 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2coc(-c3cccs3)n2)C1 1760535643 URURHYFTERVPKX-HOCLYGCPSA-N 478.600 2.434 30 10 JEEE Cc1nnc(Cn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N2CCC(C#N)CC2)s1 1762495584 GEAFJGJMERVZAM-UHFFFAOYSA-N 472.600 2.144 30 10 JEEE CS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2CCCCCC[C@H]21 1771368385 CPUSCPIQVGPCAL-UYAOXDASSA-N 458.588 2.437 30 10 JEEE N#Cc1ccc(-c2nnc(N3CC[C@H](C(N)=O)C3)n2CC2CCN(CC(F)(F)F)CC2)cc1 1771531881 GXDWVFRUINGZNH-SFHVURJKSA-N 461.492 2.403 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@H](C)[C@@H](OC)C1 1772660167 TUMNIWCQORQGBJ-JXFKEZNVSA-N 462.572 2.178 30 10 JEEE C=CCNC(=O)[C@H](Cc1ccc(OC(C)=O)cc1)NC(=O)/C=C/c1ccc(C(=O)OC)cc1 1861762865 SYEHLCZAMUXTPC-UNJYKCMZSA-N 450.491 2.441 30 10 JEEE C=CCN(CC=C)C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CC(=O)N(CCc2ccc(OC)c(OC)c2)C1 1862163063 YARYBBWGUANBBU-RTWAWAEBSA-N 469.582 2.286 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H](C)O)[C@H]2c2ccc(O)c([N+](=O)[O-])c2)cc1OC 1862578431 FCKXBAXFOMGZNM-WYRIXSBYSA-N 458.423 2.277 30 10 JEEE COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](CO)NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1 1866865926 BOCRKAUBDARNED-ROUUACIJSA-N 487.538 2.057 30 10 JEEE N#Cc1cccc(C(=O)Nc2nc(N3CCc4ccccc4C3)nn2[C@H]2CCS(=O)(=O)C2)c1 1870071681 YARCPALBOZCJGI-FQEVSTJZSA-N 462.535 2.324 30 10 JEEE C=CCN=c1nc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)[nH]c(=Nc2cccc(F)c2)[nH]1 1871543847 BIUYRWSDOFLAEB-UHFFFAOYSA-N 450.478 2.431 30 10 JEEE COc1ccc(CCNC(=O)c2nonc2OCC(=O)Nc2sc3c(c2C#N)CCC3)cc1 1872707576 XQVIWFUUBCUHQG-UHFFFAOYSA-N 467.507 2.490 30 10 JEEE C=CCn1c(C(=O)N2CCN(C(C)=O)CC2)cc2c(N3CCN(Cc4ccccc4)CC3)ncnc21 1873563925 YXDXMEWREMEIAA-UHFFFAOYSA-N 487.608 2.244 30 10 JEEE C=CCSc1nnc(CCOC)n1/N=C/c1ccc(OCCN2CCOCC2)c(OC)c1 1874473344 ZULRGTFJNRCPGR-HAVVHWLPSA-N 461.588 2.347 30 10 JEEE Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CCC(=O)NCC#CCN(C)Cc1ccccc1 1890101068 VKBJXJGRCOSTHA-QFIPXVFZSA-N 456.612 2.044 30 10 JEEE CN(CC#CCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)Cc1ccccc1 1891470541 MANOERGMCDFQCX-NRFANRHFSA-N 457.571 2.478 30 10 JEEE COc1ccc(-c2ccc(=O)n([C@@H](C)C(=O)N3CCC[C@@H](Oc4nccnc4C#N)C3)n2)cc1 1891556856 NLHNNPWHDRFGID-QFBILLFUSA-N 460.494 2.212 30 10 JEEE Cc1cccc(-n2ncc3c(=O)n4c(nc32)S[C@H](CC(=O)N2CCC[C@@H]2C#CCN(C)C)C4)c1 1891633940 XLCIYSNMBVIEGQ-AZUAARDMSA-N 476.606 2.311 30 10 JEEE CO[C@H](C)[C@@H](CC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2124540661 KDAJFJALGPNACA-UKRRQHHQSA-N 450.345 2.033 30 10 JEEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)CC1 2215820586 GNIJWBMIVRYRNF-UHFFFAOYSA-N 458.411 2.289 30 10 JEEE CC(C)(C)OC(=O)NCC1(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)COC1 2255625527 SCUJCTAGDPDPNX-UHFFFAOYSA-N 452.382 2.318 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](O)CN1C(=O)c1ccsc1B1OC(C)(C)C(C)(C)O1 2255640595 LSESVVCTLGSNNA-ZIAGYGMSSA-N 452.382 2.147 30 10 JEEE CC(C)(C)OC(=O)N[C@@]12C[C@@H]1CN(S(=O)(=O)c1ccc(B3OC(C)(C)C(C)(C)O3)s1)C2 2255751183 WLDWJEFTRPIZAI-ZUOKHONESA-N 470.422 2.335 30 10 JEEE C=C(CS(=O)(=O)N1CC[C@H](C)[C@H](NC(=O)C(F)(F)F)[C@H]1C)B1OC(C)(C)C(C)(C)O1 2255799700 MMFBJXLBCZFUQO-YUTCNCBUSA-N 454.320 2.281 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1(C)C 2256679353 KLZPAEZCFDLUJA-VXGBXAGGSA-N 452.386 2.137 30 10 JEEE CC(C)(C)OC(=O)N1CC(CO)(NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)c(Cl)c2)C1 2267407223 PKBZMDNVJGIDQF-UHFFFAOYSA-N 466.771 2.351 30 10 JEEE CN(C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C 2281977929 VYTFGBWTJVAFLH-NVXWUHKLSA-N 462.400 2.485 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1 2282051963 KRVWUWWTGAFHQL-HOTGVXAUSA-N 460.384 2.109 30 10 JEEE Cc1nn(C)c(C(=O)NC2CC(F)(CNC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2282058250 QZYDNLYYMXHENY-UHFFFAOYSA-N 466.363 2.153 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@]2(C[C@@H](NC(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)o3)CO2)C1 2282197426 OJCCOZQAPZIHBD-IQMFZBJNSA-N 462.352 2.477 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2F)CCO1 2282399545 PGNZVQXCTYJLQU-OAHLLOKOSA-N 464.343 2.491 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H]1NS(=O)(=O)c1c(F)cc(F)cc1B1OC(C)(C)C(C)(C)O1 2282504097 JSVSFOGEYRFBIN-BLLLJJGKSA-N 488.362 2.456 30 10 JEEE Cc1nn(C)c(C(=O)N2C[C@@H]3C[C@H](C2)C3NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2282559439 JEVFNPOUIMREPJ-FKEKPDDDSA-N 460.384 2.013 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1CO 2282577691 IGIDTBPHPOHEPO-CABCVRRESA-N 481.424 2.098 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2CC[C@H]1CN2C(=O)OC(C)(C)C 2282582404 WCTIZLYTLKXRMU-JKSUJKDBSA-N 460.384 2.252 30 10 JEEE Cc1nn(C)c(C(=O)N(C)[C@@H](C)C2CN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2282583089 FHYSLNPLPDGJOM-HNNXBMFYSA-N 462.400 2.355 30 10 JEEE Cc1nn(C)c(C(=O)N(C)C2CCN(C(=O)OC(C)(C)C)CC2)c1B1OC(C)(C)C(C)(C)O1 2282585542 MXCHUHIZPRYTFK-UHFFFAOYSA-N 462.400 2.499 30 10 JEEE Cc1c(C(=O)N[C@H](C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282592577 FIBWTWNTTKZPSC-ZBFHGGJFSA-N 462.400 2.403 30 10 JEEE CC(C)(C)OC(=O)N1[C@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C[C@@H]2COC[C@H]21 2282637228 WGAGTEZPLVSZES-UWWQBHOKSA-N 461.368 2.068 30 10 JEEE CC(C)(C)OC(=O)NC[C@]12CC[C@@H]1CN(C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)C2 2282700149 NXXXAMPDIMBKLQ-CMJOXMDJSA-N 458.368 2.153 30 10 JEEE C[C@@H]1CCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2O)C[C@@H]1NC(=O)C(F)(F)F 2282810339 SDUHRFXFAFSNRU-DOMZBBRYSA-N 456.270 2.221 30 10 JEEE CON(C1CN(C(=O)OC(C)(C)C)C1)S(=O)(=O)Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2282844635 GVAOSDNAXUJKHW-UHFFFAOYSA-N 482.408 2.298 30 10 JEEE Cc1nc(NC(=O)[C@H]2COC[C@@H](C)N2C(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2283970010 KUADDJBKTZHEEY-CZUORRHYSA-N 462.356 2.047 30 10 JEEE C[C@H](C(=O)NCc1ccccc1B1OC(C)(C)C(C)(C)O1)N1CC(NC(=O)OC(C)(C)C)C1 2284044557 BFKUYBGHHHLZBM-MRXNPFEDSA-N 459.396 2.199 30 10 JEEE CC(C)(C)OC(=O)N[C@H](C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1)[C@H](O)C(C)(C)C 2284051400 NMDUDHPRBDDIBI-HOTGVXAUSA-N 483.440 2.359 30 10 JEEE Cc1nc(C(=O)N[C@]2(C(=O)O)CCN(Cc3ccccc3)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2284435524 OOTVIDCUBWQIEH-HSZRJFAPSA-N 471.388 2.210 30 10 JEEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1CCCN(C(=O)OC(C)(C)C)CCC1 2284617343 MGLJTLMOPOXASW-UHFFFAOYSA-N 463.388 2.024 30 10 JEEE CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1C 2285198192 ONIHLLGAIIPZBB-IRXDYDNUSA-N 461.368 2.053 30 10 JEEE COc1ccc(C(O)=C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(O)c(OC)c2)c(C)c1 2296125586 IDLMCMDFUATABP-QHCPKHFHSA-N 482.533 2.472 30 10 JEEE CN(C(=O)c1csnc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1F 2320556386 UQELXEOKAQPMHL-UONOGXRCSA-N 455.361 2.472 30 10 JEEE COc1cccc(C=Nn2c(CNC(C)=O)nnc2SCC(N)=O)c1OCc1cccc(C)c1 2330742763 NYAMIPDYJJYTBB-UHFFFAOYSA-N 482.566 2.270 30 10 JEEE COc1cc(C=Nn2c(SCCO)nnc2C(C)(C)C)ccc1OCCN1CCOCC1 2331416346 BYFGMSAEWPHQIG-UHFFFAOYSA-N 463.604 2.262 30 10 JEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)N1CC[C@@H](B2OC(C)(C)C(C)(C)O2)C1 2342471571 ODQLXCDELBTVHT-HZPDHXFCSA-N 472.413 2.105 30 10 JEEE CC(C)(C)OC(=O)N[C@]1(C(=O)N2CCc3scc(B4OC(C)(C)C(C)(C)O4)c3C2)C[C@H](O)C1 2361639966 PYDORHUXCUYQFA-GPCKLQJOSA-N 478.420 2.350 30 10 JEEE C=CCn1c(=O)c2sc(N(CC)CC)nc2n(CC(=O)Nc2ccccc2C(=O)OCC)c1=O 21655803 YFIJFTMYRALMBJ-UHFFFAOYSA-N 485.566 2.467 30 10 JEEE C=CCN1C(=O)/C(=C\c2c(NCCCN3CCOCC3)nc3ccccn3c2=O)SC1=S 33933500 GBQNZQNGOQJGOH-BMRADRMJSA-N 471.608 2.216 30 10 JEEE CCOC(=O)C1CCN(c2nc3c(c(=O)[nH]2)[C@H](c2ccc(OCC)cc2)[C@H](C#N)C(=O)N3)CC1 72444729 MFPMFWIBQGPNFV-ZWKOTPCHSA-N 465.510 2.172 30 10 JEEE COC(=O)c1[nH]c(C)c(/C(O)=C2/C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccccc2OC)c1C 102521547 XZQUHVOWEYRWOO-HWCXCKHPSA-N 455.511 2.410 30 10 JEEE N#Cc1cc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)ccc1F 488916266 QQCZQAQRPFQWNA-UHFFFAOYSA-N 494.389 2.217 30 10 JEEE C#CCN(C(=O)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1)[C@@H]1CCS(=O)(=O)C1 729332456 YYGKKUQMJFLTPE-MRXNPFEDSA-N 493.434 2.043 30 10 JEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)cc1 743298672 CXCIGWFZWNACJI-UHFFFAOYSA-N 487.626 2.445 30 10 JEEE CC#CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](C(=O)O)[C@@H](C)O 757207280 HKWDTOOQORZUCL-RTOPAQNCSA-N 450.491 2.257 30 10 JEEE COc1cc(C=NNc2nnc(SCC(=O)N3CCc4ccccc4C3)n2N)cc(OC)c1OC 1084156093 LPHFGZKORRQUEP-UHFFFAOYSA-N 497.581 2.141 30 10 JEEE COCCn1cc(C=NNc2nnc(SCC(=O)Nc3cccc4ccccc34)n2N)cn1 1084238007 OVJBONUUZPKMIP-UHFFFAOYSA-N 465.543 2.165 30 10 JEEE COc1cccc(NC(=O)CSc2nnc(NN=C(C)c3ccc4c(c3)OCO4)n2N)c1 1084238400 DXYPRYHGVISKJA-UHFFFAOYSA-N 455.500 2.296 30 10 JEEE COc1cc(NC(=O)CSc2nnc(NN=Cc3ccccc3OC)n2N)cc(OC)c1 1084417587 PRPZMWREKPKDOO-UHFFFAOYSA-N 457.516 2.195 30 10 JEEE CCN(CC)c1ccc(C=NNc2nnc(SCC(=O)NCc3ccc(OC)cc3)n2N)c(O)c1 1084510879 HNUHLLVGBWQJTI-UHFFFAOYSA-N 498.613 2.407 30 10 JEEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(NC(=O)OC(C)(C)C)c(F)c(F)c2F)C1=O 1134057679 JBHBWYAMWKFWEE-UHFFFAOYSA-N 456.377 2.366 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCNC(=O)[C@H](C)CCC 1286286573 ZMACKSQLAKMYSP-IAGOWNOFSA-N 459.620 2.249 30 10 JEEE C#CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@H](OCCOC)C1 1286322906 FBYHAOHDIOPRJR-SFHVURJKSA-N 450.543 2.237 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H](c1ccsc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1286386535 CFKLUCFTTOBXCM-WOJBJXKFSA-N 470.624 2.331 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCN1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1286388497 QEQZGVMWOGXFMY-OAQYLSRUSA-N 471.627 2.312 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C(=O)OC)CC1 1286548562 TUXMEDIHXWRERP-MJGOQNOKSA-N 454.531 2.296 30 10 JEEE C=CCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1286709412 SRNGMVVDZGZALM-UHFFFAOYSA-N 463.586 2.154 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCO[C@H](Cn2cccn2)C1 1286779550 JHSCEOUCFUOFKD-SFTDATJTSA-N 479.585 2.439 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1286780511 WZMRSYNXGVSQAI-INIZCTEOSA-N 475.391 2.362 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)N2CCOCC2)C1 1286813478 VTHXJDDFNXPJLB-DENIHFKCSA-N 452.559 2.231 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CC[C@H](Oc2ccccc2Cl)C1 1286814171 MEDDRDVDXOMXRM-INIZCTEOSA-N 482.006 2.328 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1286819751 UWWMZEBVHFXILA-QGZVFWFLSA-N 476.603 2.353 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1286820646 ORLMMDVOCAVKBD-UHFFFAOYSA-N 466.652 2.195 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCN1CCC(O)CC1 1300329681 RODPUMHRERWDHF-QRVBRYPASA-N 460.623 2.354 30 10 JEEE C#CCN(c1nnc(CN2CCCC2=O)n1CCc1ccc(F)cc1Cl)[C@@H]1CCS(=O)(=O)C1 1300501034 GRYZXXQXOZKCGH-GOSISDBHSA-N 493.992 2.062 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1cc(C)on1)[C@H]1CCS(=O)(=O)C1 1300504136 KBDKNISAVKKOLN-IPMKNSEASA-N 461.588 2.168 30 10 JEEE COc1ccccc1SCc1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(C)n(C)c1=O 1300681989 AILWIJISFTWDGO-SFHVURJKSA-N 466.567 2.363 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2Cc2ccnc(OCC(F)(F)F)c2)CC1 1300703844 UNUBTOGXMMPHDK-UHFFFAOYSA-N 471.487 2.404 30 10 JEEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN(CCN2[C@@H](C)CC[C@H]2C)CC1 1300755247 PDZUEYVABABWOL-BGYRXZFFSA-N 454.648 2.096 30 10 JEEE C=C(Br)Cn1c(N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)nnc1[C@@]1(OCC)CCOC1 1300861228 CPXIMMBCVRXDIQ-CKEIUWERSA-N 465.414 2.097 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@]1(O)CCS(=O)(=O)C1 1300924457 BQGGLJHWSUTAMF-JTSKRJEESA-N 483.635 2.302 30 10 JEEE C=CC[C@H](Cn1c(-c2cnccn2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1)c1ccccc1 1301165524 HRWZRMMVEJVSGA-OAQYLSRUSA-N 488.596 2.268 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1301424808 OSDJLVURLIMPCB-ZCNNSNEGSA-N 467.636 2.363 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCC(CC(N)=O)CC1 1301483582 RFBYKHYOJJJNEG-UHFFFAOYSA-N 479.354 2.241 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC(CNC(C)=O)CC1 1301497090 OAQJMLBEQRHETJ-UHFFFAOYSA-N 463.542 2.255 30 10 JEEE C=CCSCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1301617791 ICMVHOGICVMELX-IBGZPJMESA-N 498.653 2.355 30 10 JEEE CC(=O)NCC1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2([S@](C)=O)CCC2)CC1 1301879713 HPSPVGSMWJQVGP-YTTGMZPUSA-N 454.600 2.470 30 10 JEEE COc1ccc(CN([C@@H]2CCS(=O)(=O)C2)S(=O)(=O)c2c(F)cc(C#N)cc2F)cc1 1309046460 CWQXEEAZUQVDBX-OAHLLOKOSA-N 456.492 2.223 30 10 JEEE CSC[C@@H]1CCCN1c1nnc(COc2ccc(C#N)cc2)n1CC(=O)NCC(F)F 1316441025 DWLAVHYNDSAMJM-HNNXBMFYSA-N 450.515 2.442 30 10 JEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 1358930651 ZOSNZZCUNIZYCM-SJORKVTESA-N 451.593 2.039 30 10 JEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(=O)N(C)C1CCCCC1 1358946082 HWNCZXYMPRZUHH-UHFFFAOYSA-N 457.604 2.099 30 10 JEEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1nccnc1C 1359010655 VVMQRMNOBMCTBC-LJQANCHMSA-N 455.563 2.387 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(F)cc3Br)n2CC(=O)N(C)CC)CC1 1359032364 LXQFRQWHUXEAMP-UHFFFAOYSA-N 463.355 2.080 30 10 JEEE C=CCC(C)(C)Cn1c(N(C)C2CCN(S(C)(=O)=O)CC2)nnc1[C@@]1(OCC)CCOC1 1359191659 IOYTUQCMCIBSNU-JOCHJYFZSA-N 469.652 2.393 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1CCN1CCOC[C@H]1C 1359254970 JVAJVEFQUQIWNT-HXUWFJFHSA-N 463.586 2.299 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1359296513 LRZVLRSAJASGIO-UHFFFAOYSA-N 497.625 2.046 30 10 JEEE C=CCOc1ccc(Cn2c(C3CCC3)nnc2N2CCN(C(=O)C(=O)NC(C)C)CC2)cc1 1359307115 AUSUSMSABCOCBF-UHFFFAOYSA-N 466.586 2.332 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Br)n2CCS(=O)(=O)NC)C1 1359317585 MHONFGBDJWEELE-CQSZACIVSA-N 470.393 2.038 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCC[C@H](NC(=O)OCC)C1 1359334158 VQJUAEZTJAYGEC-FQEVSTJZSA-N 475.615 2.493 30 10 JEEE C#C[C@H](NC(=O)c1ccc(NC(=O)C[C@@H]2SC(N3CCCC3)=NC2=O)cc1)[C@H]1CCCO1 1448020055 JWZUREQOFSACTR-OTWHNJEPSA-N 454.552 2.020 30 10 JEEE N#CC1(CS(=O)(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)CCCCC1 1474816915 AQGQQSXALUFLKH-UHFFFAOYSA-N 451.614 2.285 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CC[C@H]2CCCCO2)c1 1507550668 OMOKNTMUUZAPIM-UXHICEINSA-N 450.543 2.245 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2Cc2c(CC)noc2C)c1 1507552313 OIGALGACIZCDJW-UHFFFAOYSA-N 475.553 2.364 30 10 JEEE C#CCN(C)c1nnc(-c2ccc(OCCC)c(OC)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1507610932 ICUVHDRTECBDAF-QGZVFWFLSA-N 461.588 2.093 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@@H]1CCOC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1507635827 ZQQGEONWDRTDMD-YZGWKJHDSA-N 460.575 2.307 30 10 JEEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1507671290 HFRPSGPQCXFIKY-HXUWFJFHSA-N 485.514 2.243 30 10 JEEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1CCN(CCN(C)C)CC1 1507980045 GYGUOAQAGURFGR-OAQYLSRUSA-N 491.681 2.482 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cc(C(C)(C)C)no2)C1 1508111508 ZFSVERGNUZHPFH-CABCVRRESA-N 452.581 2.003 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2CCN(CC(F)(F)F)CC2)C1 1508126072 SVYQFMAAMXMLKR-DLBZAZTESA-N 456.513 2.285 30 10 JEEE CC(C)n1nc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCC(C)(C)O)c2ccccc2c1=O 1509578297 FSRJBTFJHQHIFW-MRXNPFEDSA-N 451.531 2.126 30 10 JEEE CCC(CC)[C@@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1)N(C)C 1513296742 HACIGMNIWPPYSN-RTWAWAEBSA-N 495.694 2.107 30 10 JEEE Cn1nncc1Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@@](F)(C#N)C1 1517425302 HWUHIDIIQRTJHM-OAQYLSRUSA-N 459.530 2.011 30 10 JEEE C#CCCCn1c(CSc2ccccc2OC)nnc1N1CCN(CC(=O)N(C)C)CC1 1539139897 JKJNIOPLYUPYGV-UHFFFAOYSA-N 456.616 2.203 30 10 JEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CCOC[C@@H]1C 1539237983 PBVWLRUIEWBXAB-HKUYNNGSSA-N 454.600 2.292 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCO[C@H](C)c2ccccc2)CC1 1539451841 BXGKENOZPDADFU-IRLDBZIGSA-N 471.627 2.103 30 10 JEEE C#CCSCCn1c(COc2ccccc2F)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1539526599 NEZPLMGNCHDXBK-INIZCTEOSA-N 452.577 2.376 30 10 JEEE C=C(Br)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(CCOC)C(=O)C1 1539600816 UAQVZSQTDZJACC-UHFFFAOYSA-N 470.318 2.351 30 10 JEEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CC(C)(C)NC(=O)OC(C)(C)C 1540189036 GXDARGSAABKOGP-UHFFFAOYSA-N 450.584 2.456 30 10 JEEE C=CCn1c(N2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1540861519 VNODVVQQNGVZFR-GBXCKJPGSA-N 460.623 2.028 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1540879569 HZRGPXQFQVHZTJ-QFIPXVFZSA-N 481.645 2.246 30 10 JEEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCOC[C@H]2C)C1 1547779537 FATPXXNJQBIPGJ-NSISKUIASA-N 458.588 2.007 30 10 JEEE CN(C)C1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(OCC(N)=O)CC2)CCCC1 1552807668 GHBVVPSBDAYQFD-UHFFFAOYSA-N 481.601 2.074 30 10 JEEE COCCN(c1nnc(-c2cccc(C#N)c2)n1CC(=O)N1CCOCC1)[C@H]1CC[C@@H](C)C1 1555532532 HCWUPCJTVRWXSJ-NQIIRXRSSA-N 452.559 2.317 30 10 JEEE Cc1nc(C#N)c(N2CCC(C(=O)N3CCO[C@@H](c4ccc(S(C)(=O)=O)cc4)C3)CC2)o1 1557644761 HFDLPHHJHPHRSL-HXUWFJFHSA-N 458.540 2.075 30 10 JEEE CC(C)(C)OC(=O)[C@@H]1CC(=O)N(C2CCN(S(=O)(=O)CC3(C#N)CCCCC3)CC2)C1 1561721842 HROYHSJKDQHMND-QGZVFWFLSA-N 453.605 2.445 30 10 JEEE C#CCCCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1587749786 NJONUVJURYZTLD-UHFFFAOYSA-N 475.597 2.414 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2ccccc2Cl)C1 1587861494 MTYWJOIYBYHIGY-UXHICEINSA-N 494.017 2.256 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CC1(O)CCCCC1)[C@H]1CCS(=O)(=O)C1 1588039943 GNSYJPLPKMAQHJ-FQEVSTJZSA-N 453.568 2.139 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1ccccc1OCCN(C)C)[C@@H]1CCS(=O)(=O)C1 1588059419 NQQRGEHLXIPBNJ-OAQYLSRUSA-N 487.670 2.482 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@@H]1CCOC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1588069427 NSPWETJRDCYCHB-HBFSDRIKSA-N 476.574 2.296 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CCC(=O)NCc1ccccc1 1588174191 SESNDULAHLWVAC-UHFFFAOYSA-N 455.522 2.095 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@](C)(O)c1ccco1 1588647496 WATXLMNTIDYESZ-HOYKHHGWSA-N 489.573 2.173 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC2(CS(C)(=O)=O)CC2)CC1 1588751088 IKTVMULHSGTGDP-SFHVURJKSA-N 475.590 2.137 30 10 JEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@](C)(c2ccccc2)C1 1588985956 XSRWKGJEUXQUTI-DYESRHJHSA-N 463.629 2.007 30 10 JEEE C#CCSCCn1c(N2CCC(N3CCN(CC)C3=O)CC2)nnc1[C@@]1(OCC)CCOC1 1589125941 SGRIZJVPSPIPQY-HSZRJFAPSA-N 476.647 2.023 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1589557236 HDJQLIZOHRDWNB-PXDATVDWSA-N 481.645 2.236 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC[C@H](NC(C)=O)C1 1595500968 HTQYOVLAUOYRCF-KRWDZBQOSA-N 475.391 2.423 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1595576903 BGLREMLHPDQNCN-LJQANCHMSA-N 475.615 2.180 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)[C@H]1CCSC1 1595805759 TZSMPKIMVICCBY-YJBOKZPZSA-N 450.586 2.333 30 10 JEEE Cc1nn(C)c(N2CCN(c3nnc(-c4cccc(C#N)c4)n3C[C@@H](C)N(C)C)CC2)c1C#N 1612469759 FZJGLFYTSOJLDE-QGZVFWFLSA-N 458.574 2.007 30 10 JEEE CCOc1ncccc1Cn1c(COc2ccc(OC)cc2)nnc1N1CCO[C@H](C#N)C1 1616509494 HWUQZSJIALTUQX-HXUWFJFHSA-N 450.499 2.436 30 10 JEEE CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2N(C)CCCC2(C)C)CC1=O 1618487775 FJDMFOUSQUQXTF-HXUWFJFHSA-N 451.575 2.128 30 10 JEEE COCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1619562520 CCSWLVYQZRRCAV-APWZRJJASA-N 476.603 2.010 30 10 JEEE N#C[C@@H](c1ccccc1)N1CCN(S(=O)(=O)C2CN(C(=O)c3cccc(Cl)c3)C2)CC1 1621610106 BYFQBMWKCBDVFJ-NRFANRHFSA-N 458.971 2.377 30 10 JEEE C=CCn1c(O)nnc1S[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 1656378517 SNAFNLYREKCRMU-AWEZNQCLSA-N 451.574 2.464 30 10 JEEE C#CCOc1cc(F)ccc1NC(=O)N1CCN(C(=O)c2cccc(S(C)(=O)=O)c2)CC1 1659604483 NFCOZKWCFSWNQI-UHFFFAOYSA-N 459.499 2.231 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@](C)(O)c1ccco1)[C@H]1CCS(=O)(=O)C1 1689998090 BIEZBOSPGQBCEO-UOUMEPNKSA-N 490.626 2.324 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2CCC(=O)NC(C)C)CC1 1690148507 JTLZWHRSVFZVGQ-UHFFFAOYSA-N 472.540 2.028 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccc(C(C)(C)O)cc2)CC1 1690154214 KJRHFLMAULDXCM-OAQYLSRUSA-N 451.571 2.371 30 10 JEEE C#CCSCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1690157633 LIXFTVCWEOKKGC-APWZRJJASA-N 486.573 2.396 30 10 JEEE C=C(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1690277291 MTCZXQKNJMKHSA-MRXNPFEDSA-N 479.603 2.313 30 10 JEEE C=C(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN([C@H](C)C(=O)NCCCOC)CC1 1690278874 UAQYUUIBNCUIAS-LJQANCHMSA-N 451.575 2.056 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C)(c2ccc(C)cc2)CC1 1690670457 BUOUFBVDDSXDNB-LJQANCHMSA-N 471.627 2.349 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccc(C(C)=O)cc2F)CC1 1690670562 DZLQXJHZCYSYGN-IBGZPJMESA-N 470.549 2.143 30 10 JEEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 1690733888 PYJNXJVVDWIZGA-SUMWQHHRSA-N 485.598 2.337 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2C[C@@H]2CCCS(=O)(=O)C2)c1 1705506060 ZFVZJOIXYZYFAZ-IBGZPJMESA-N 478.578 2.221 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@]1(O)CCSC1)[C@@H]1CCS(=O)(=O)C1 1705561452 UDHBJYSHFPBLKV-AQOAWAETSA-N 494.614 2.052 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCCN(C(C)C)C1 1705580750 QPPUDWIENOIMDK-FQEVSTJZSA-N 457.582 2.385 30 10 JEEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1705590393 JWNMSRRZADIJIY-SQHAQQRYSA-N 477.609 2.008 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)c1nc(-c2ccccc2)no1 1705613343 YQIJLTOZKGTYKC-SJLPKXTDSA-N 454.556 2.493 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccccc3F)n2CC[C@@H](N2CCOCC2)C(F)(F)F)CC1 1705637083 IOADFVOIAKNUCS-HXUWFJFHSA-N 480.510 2.493 30 10 JEEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CC(=O)NC(C)(C)C 1705730675 MGQVHPOVZMFCLT-UHFFFAOYSA-N 463.604 2.292 30 10 JEEE C=CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C2CC2)C(=O)C1 1705819558 OHONHCVGTNYSDZ-SFHVURJKSA-N 460.579 2.364 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Sc1ccccc1 1705843410 DVLDYCMKZZEQGM-AEFFLSMTSA-N 451.618 2.414 30 10 JEEE C=CCNC(=O)Cn1c(N2CCN(CCN(C)Cc3ccccc3)CC2)nnc1C(C)(C)C 1705908392 AYDAZMKCAKWANP-UHFFFAOYSA-N 453.635 2.132 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCc2cc(Cl)ccc2C1 1705927982 KFTMIAWPNXSORO-UHFFFAOYSA-N 463.991 2.331 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1705934939 BJAUAQNGXDIGCD-UHFFFAOYSA-N 479.569 2.362 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](c2cccc(OC)c2)C1 1705935830 DTDIEVPJOLHALV-PZJWPPBQSA-N 476.599 2.359 30 10 JEEE CC(C)CN1CCO[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCOC[C@H]2C)C1 1706517670 HOIJLFFMYREYHH-KNQAVFIVSA-N 454.575 2.311 30 10 JEEE CNS(=O)(=O)CCn1c(-c2ccc(Br)cc2Cl)nnc1N1CC[C@](F)(C#N)C1 1711417766 CJMNAJGUEOCQTM-INIZCTEOSA-N 491.774 2.352 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCCN(C)S(=O)(=O)CC 1722290048 UUKIQHAOFSCYQD-GOSISDBHSA-N 455.588 2.260 30 10 JEEE C#CCN(CC)c1nnc(COc2ccc(C)c(C)c2)n1CCS(=O)(=O)N1CCSCC1 1722415027 IFNYTAURQHEUGY-UHFFFAOYSA-N 477.656 2.312 30 10 JEEE C#CCN(CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1ccc(C)n(C)c1=O 1722415136 NHBXNWJEONBYRU-UHFFFAOYSA-N 473.625 2.158 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCCn2ccnc21 1722426278 FWFCHBUZYHKXOG-VQTJNVASSA-N 499.616 2.447 30 10 JEEE C=C(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1722519840 NWRVJPIADWQPGE-SFHVURJKSA-N 470.549 2.404 30 10 JEEE C=CCn1c(-c2cc(Br)cn2C)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1722682463 LDILHHXRKHFQMO-UHFFFAOYSA-N 457.398 2.092 30 10 JEEE C=CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1722683751 ZACLZMLMEDXDSB-GOSISDBHSA-N 454.575 2.281 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(c2c(F)cccc2OC)CC1 1722696994 GIASAISTKYZSHG-UHFFFAOYSA-N 465.533 2.425 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1CCN(C(=O)OCC)CC1 1722703590 CNTSLCUXGRJFDS-UHFFFAOYSA-N 474.587 2.160 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCCS(C)(=O)=O)C1 1722711754 IFGGVGJHGQNJON-HXUWFJFHSA-N 456.572 2.347 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1722725647 QFSBLJUZJXJMGX-GOSISDBHSA-N 475.615 2.248 30 10 JEEE C#CCCCn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1740594447 MTSMKVOWBOUXLC-JOCHJYFZSA-N 451.571 2.313 30 10 JEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H](C1CC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1740625616 ORZBJJZURBHPIB-RTWAWAEBSA-N 476.046 2.489 30 10 JEEE C#CCN(c1nnc(CSc2ccc(Cl)cc2)n1CC(=O)NCCC)[C@@H]1CCS(=O)(=O)C1 1740629084 ZZAWNPXWCSHGIQ-QGZVFWFLSA-N 496.058 2.377 30 10 JEEE C=C(Br)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@H](CC(N)=O)C1 1740743587 AAWKRWLAZZRWOF-MRXNPFEDSA-N 489.422 2.453 30 10 JEEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 1740880698 LDSBCWPFZXKNJZ-UHFFFAOYSA-N 458.523 2.053 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1)C(C)C 1740927322 SXIZBSZJADVRPV-HULNYRCFSA-N 472.634 2.312 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@]2(O)CCSC2)C1 1740979899 GTWICORYMFVIQX-IEGUWTFLSA-N 495.646 2.236 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC(=O)N(C)[C@@H](C)C1 1740986864 JRCCDMIOCPIBNX-HKUYNNGSSA-N 475.615 2.303 30 10 JEEE C=CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1740998255 KEUCOIROSZAGGA-SFHVURJKSA-N 467.603 2.145 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1Cc1ccc(-n2ccnc2)c(F)c1 1741917043 ASELVNXBZNJDFI-OAHLLOKOSA-N 472.550 2.001 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1ccc(F)c(C)c1)[C@H]1CCS(=O)(=O)C1 1748819636 QTSGWTRNNGLXNX-FQEVSTJZSA-N 453.543 2.386 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCC2(C1)OCCO2 1748857485 ANHBANZOTLXAME-VQTJNVASSA-N 485.585 2.203 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc(C)o3)n2Cc2ccc(C)n(C)c2=O)n1 1748970509 HRQIEUULZJQGPF-UHFFFAOYSA-N 475.553 2.385 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2ccc(F)c(F)c2)C1 1749193704 LZXLDIRXMNLHQZ-RBUKOAKNSA-N 483.541 2.043 30 10 JEEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1749213264 IHHTYDIIALTQNU-HNNXBMFYSA-N 464.368 2.184 30 10 JEEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N(C)Cc1ccc(C(N)=O)cc1 1749226562 SLPDMCUYSKTNCY-UHFFFAOYSA-N 452.515 2.334 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2nc(C(C)(C)C)cs2)C1 1749698144 QRAKRJHXAJVLDD-HUUCEWRRSA-N 468.649 2.472 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1Cc1ccnc(SCC)c1)[C@H]1CCS(=O)(=O)C1 1760184029 GLROCGSZDSWDGJ-SFHVURJKSA-N 470.624 2.466 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@](C)(O)c1cc(C)oc1C)[C@H]1CCS(=O)(=O)C1 1760186310 BNTRAHNLVBXPTQ-GREBRCKQSA-N 476.599 2.264 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C(=O)N(CC)CC)cc1 1760234595 YVSXFRFRGAJLBA-HXUWFJFHSA-N 457.600 2.170 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2sccc2C)CC1 1760265208 RLROTDQFZFDRAV-UHFFFAOYSA-N 454.600 2.093 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2C[C@H]2CCC(F)(F)C2)CC1 1760266198 RYORDCHWUWAWOM-IRXDYDNUSA-N 453.534 2.403 30 10 JEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 1760272976 YQTGTCWPWOLNIM-SFHVURJKSA-N 460.648 2.258 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1CC(=O)NCCc1ccccc1 1760290985 WJYFXNGRLQLHON-JWQCQUIFSA-N 451.571 2.281 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCNS(=O)(=O)CC 1760293692 BCXIGDHJMRUNET-WZONZLPQSA-N 494.662 2.324 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N(C)[C@@H](C)CS(C)(=O)=O)nnc1[C@]1(OC(C)C)CCOC1 1760327418 GXTWDCPSZHSHLU-WEMPKCCASA-N 470.636 2.169 30 10 JEEE C=C(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1760341338 VFXSVOQROBYFMT-QGZVFWFLSA-N 451.980 2.451 30 10 JEEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CCCN2CCOCC2)CC1 1760346208 NQQCKGNGCKSIPS-HXUWFJFHSA-N 451.637 2.085 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)N(C)c2ccccc2)CC1 1760389872 VYCGCOXADVHXCY-FPOVZHCZSA-N 474.631 2.292 30 10 JEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(c2cnn(CC)c2)CC1 1760440861 RXWPUHOOBYCHCI-HXUWFJFHSA-N 477.635 2.178 30 10 JEEE C=CCCOCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1760453091 NLNSKTCFBXYAPC-IPMKNSEASA-N 486.621 2.321 30 10 JEEE C=CCn1c(COc2ccc(OC)cc2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1760512790 KFBBBXXEXHLZLQ-CVDCTZTESA-N 468.602 2.431 30 10 JEEE C=CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1760563146 IZSIIGYGRQIFHN-SFHVURJKSA-N 463.571 2.268 30 10 JEEE CCCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1765741115 CUNUMUWXRTVVQM-UHFFFAOYSA-N 487.612 2.369 30 10 JEEE COc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H]2CCCCS2(=O)=O)cc1OC 1768495474 GRYJQQSQJUZZJK-IERDGZPVSA-N 463.535 2.372 30 10 JEEE CS(=O)(=O)CCCn1c([C@H]2CCCCO2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1771354158 HQRNVWZKEIPFMX-HXUWFJFHSA-N 476.578 2.292 30 10 JEEE C=CCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 1861751698 YRTKFASDGVGRGU-NRFANRHFSA-N 491.997 2.004 30 10 JEEE C=CCN(CC=C)C(=O)[C@H](Cc1ccc(OC(C)=O)cc1)NC(=O)[C@H]1CC(=O)N(C(C)C)C1 1862187808 WVNZXVHGXBWTIC-UNMCSNQZSA-N 455.555 2.097 30 10 JEEE COc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(CCCN3CCOCC3)C2=O)cc1OC 1863160181 LNZZDEFDKBNHAX-UHFFFAOYSA-N 476.533 2.490 30 10 JEEE COc1ccc(C(=O)Nc2c(C#N)nnn2-c2cc(OC)c(OC)c(OC)c2)cc1[N+](=O)[O-] 1870160271 JNGDRVRYNPSWKH-UHFFFAOYSA-N 454.399 2.334 30 10 JEEE CCCCCCCOc1cn(Cc2ccc(S(N)(=O)=O)cc2)c(CN2CC(O)C2)cc1=O 1870412654 FXRUXCSWVUVIGF-UHFFFAOYSA-N 463.600 2.070 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NC)cn1C[C@@H](c1ccc(O)cc1)N(C)C 1870571103 HQEBFRCYWCYBIW-QFIPXVFZSA-N 454.571 2.156 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)Nc2ccc(C)cc2)cn1CCNC(C)=O 1870709709 PNLKBBRLOXAIGL-UHFFFAOYSA-N 452.555 2.484 30 10 JEEE C=CCOc1cn(CCCN2CCOCC2)c(CNc2ccc(N3CCN(C)CC3)cc2)cc1=O 1870812361 SXIHLQNYISXRNN-UHFFFAOYSA-N 481.641 2.499 30 10 JEEE C=CCn1c(C(=O)NC[C@H](C)O)cc2c(N3CCN(c4ccccc4OC)CC3)ncnc21 1873593017 BISWHRMWQKNOMU-KRWDZBQOSA-N 450.543 2.063 30 10 JEEE COCCc1nnc(SCC(=O)NCc2ccco2)n1/N=C/c1ccc(C(=O)OC)cc1 1874470713 OBQRZBAKVSOLJC-FSJBWODESA-N 457.512 2.137 30 10 JEEE CC(C)N1C(=O)CS[C@H](C(=O)N2CC[C@@H](Oc3ccc(N(C)C)nn3)C2)[C@H]1c1ccc(C#N)cc1 1891350495 IKDZHKJBVWEYIC-FOVJLYNBSA-N 494.621 2.488 30 10 JEEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](CC(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)O1 2180965445 GIJUWMRYYJYZGW-ZBFHGGJFSA-N 462.356 2.129 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)[C@H](O)C1 2255704898 NSMWTLNDANJWJT-HUUCEWRRSA-N 452.382 2.147 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H]1NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2255751127 VKNQUYHEPVUOQR-IRXDYDNUSA-N 452.382 2.320 30 10 JEEE C[C@@H]1OCCN(C(=O)OC(C)(C)C)[C@@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2256616395 BGEGZFGAQTYWBN-JSGCOSHPSA-N 453.370 2.405 30 10 JEEE COC[C@H](ONC(=O)OC(C)(C)C)C(=O)NCc1sccc1B1OC(C)(C)C(C)(C)O1 2256619524 ZUSIRMMLBKUIMZ-AWEZNQCLSA-N 456.370 2.135 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@H](C(=O)NCc2sccc2B2OC(C)(C)C(C)(C)O2)C1 2256621276 SDWIKYRHWYPUOY-HNNXBMFYSA-N 452.382 2.299 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1CC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2256627404 AGUQAGOHFWOELT-OLZOCXBDSA-N 452.386 2.281 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@@H](C(=O)NC3CC(B4OC(C)(C)C(C)(C)O4)C3)O[C@H]2C1 2265142614 HGHOKTOUPLZBLE-YOTSKQKMSA-N 452.357 2.131 30 10 JEEE C[C@H]1CCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C[C@H]1NC(=O)C(F)(F)F 2267372616 QUCJGXJOOOLXOK-NWDGAFQWSA-N 482.355 2.125 30 10 JEEE CC(C)(C)OC(=O)N[C@@]12C[C@@H]1CN(S(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1)C2 2267416619 RWWXFQISBDXHGP-IVZQSRNASA-N 464.393 2.274 30 10 JEEE CC(C)(C)OC(=O)NCC1(O)CN(C(=O)c2cc(Cl)cc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267510935 UIFJBJSDNBQLQT-UHFFFAOYSA-N 466.771 2.351 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@H](NC(=O)C(F)(F)F)C[C@H]1C 2267521199 ROZKLLBBISHBNK-PWSUYJOCSA-N 461.315 2.422 30 10 JEEE CC1(C)OB(c2ccsc2S(=O)(=O)N[C@@H](COCc2ccccc2)CC(=O)O)OC1(C)C 2269041387 TWEJVSDHJXRSLF-MRXNPFEDSA-N 481.401 2.386 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](NC(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)C(C)(C)[C@@H]21 2281923077 BDBYNDRTNIJTKN-VNQPRFMTSA-N 460.384 2.473 30 10 JEEE COc1ccc(C(=O)N2CC[C@@](C)(NC(=O)C(F)(F)F)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2281935912 GSKDAVHUKRKOST-HXUWFJFHSA-N 456.270 2.278 30 10 JEEE Cn1ncc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC3(CC3)C2)c1B1OC(C)(C)C(C)(C)O1 2282051314 HEJYVMKNAQBQDC-UHFFFAOYSA-N 460.384 2.192 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1[C@H](C)CCN1C(=O)OC(C)(C)C 2282055437 DSQVBTDYJIBVKJ-GDBMZVCRSA-N 462.400 2.403 30 10 JEEE Cc1c(C(=O)N[C@@H]2C[C@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282058432 UOKVLOQTDDJWDY-ARFHVFGLSA-N 460.384 2.155 30 10 JEEE Cc1nn(C)c(C(=O)N2C[C@@H]3C[C@H]3[C@@H]2CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2282568634 FVGXWCYWFIRCPH-XHSDSOJGSA-N 460.384 2.013 30 10 JEEE C[C@H](O)CN(CCNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1O)C(=O)OC(C)(C)C 2282823585 WEDRKYHXLVRHRA-HNNXBMFYSA-N 464.368 2.039 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1C[C@@H]2C(NC(=O)OC(C)(C)C)[C@H]2C1 2282834022 ODQJGNLPBFOBKC-IRXDYDNUSA-N 478.420 2.438 30 10 JEEE CO[C@H]1C[C@@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)c(C)n2)N(C(=O)OC(C)(C)C)C1 2283956304 QKBWLMDVGKNGTH-HOCLYGCPSA-N 462.356 2.047 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H]1C(=O)NCCc1ccccc1B1OC(C)(C)C(C)(C)O1 2283977785 UMCSCUYUUVJSNE-PKOBYXMFSA-N 460.380 2.015 30 10 JEEE Cc1sc(CCNC(=O)OC(C)(C)C)nc1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2284054336 AXTBBTBCWVVROS-UHFFFAOYSA-N 495.436 2.344 30 10 JEEE COc1ccc(C(O)=C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccncc2)cc1Cl 2296930180 DWTMDQZBNOFRHG-FQEVSTJZSA-N 457.914 2.498 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N1CCc2scc(B3OC(C)(C)C(C)(C)O3)c2C1 2336496412 GLXXVEYIVJTKRJ-AWEZNQCLSA-N 466.409 2.208 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@H](C(C)(C)NC(=O)OC(C)(C)C)C1 2362354945 XEZPRIVSHTZTKC-HNNXBMFYSA-N 462.400 2.485 30 10 JEEE COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)Nc2sc(C(=O)OC)c(C)c2C#N)cc1 9472731 DQQZCMRQYPRZEY-UHFFFAOYSA-N 495.579 2.251 30 10 JEEE COc1cc(/C=N/Nc2nc(SCC(=O)NCCc3ccc(OC)c(OC)c3)n[nH]2)ccc1O 58995236 CQPRMTDQRYVXRH-WYMPLXKRSA-N 486.554 2.433 30 10 JEEE COc1ccc([C@H]2C3=C(Nc4[nH]c5c(c(=O)c42)c(=O)n(C)c(=O)n5C)c2ccccc2C3=O)cc1 104764570 UMXZEOWNFIGWML-INIZCTEOSA-N 468.469 2.099 30 10 JEEE COc1ccccc1C(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1cccc(C)c1 254442240 QRAGHSDESWTZJW-UHFFFAOYSA-N 456.527 2.336 30 10 JEEE C=CCC[C@H](NS(=O)(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C)C(=O)OCC 1190403233 RRRKBVBMDBJJFC-SFHVURJKSA-N 458.602 2.346 30 10 JEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)[C@@H]2CC(c3c(F)cccc3F)=NO2)c1 1264809832 XCOYOMHIZFUFAV-NRFANRHFSA-N 453.445 2.331 30 10 JEEE C#CCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1286344765 CVNXAJKWTINHFA-IBGZPJMESA-N 474.583 2.160 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1CC(C)(C)c1ccccn1)[C@@H]1CCS(=O)(=O)C1 1286386774 HGEMUBQIADLLAV-GOSISDBHSA-N 452.584 2.283 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2CCC(=O)N[C@@H](C)CC)CC1 1286491536 WGWDGLXHHQKGQL-SFHVURJKSA-N 468.577 2.279 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2CCC(=O)N[C@@H](C)CC)CC1 1286493402 HAOGIWLYVGNITF-KRWDZBQOSA-N 456.616 2.201 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@]1(O)CCN(C)C1 1286524252 CUVRMDSLWFFDFP-JWQCQUIFSA-N 472.634 2.451 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1 1286542750 XEWAUBGONMPNKE-KUHUBIRLSA-N 485.379 2.326 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(S(C)(=O)=O)CC1 1286558699 QOFLGBLIFUKBCC-IERDGZPVSA-N 481.569 2.210 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1286782138 LQJRMBNAWXIWMW-MSOLQXFVSA-N 476.375 2.394 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCN(C(=O)c2ccco2)CC1 1286792104 MIEPGMNPIYZORS-UHFFFAOYSA-N 464.526 2.023 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cccnc2OCC(F)F)C1 1286799499 WUXUWPLONLXVRR-KRWDZBQOSA-N 462.501 2.383 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2CCC(F)(F)CC2)C1 1286809213 HJYUKFDABHIQHL-MSOLQXFVSA-N 489.589 2.218 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(C(=O)Cc2ccccc2C)CC1 1286816222 DAYSKIGNJJBSLY-UHFFFAOYSA-N 459.616 2.202 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCn2nc(C)nc2C1 1286818365 WJJJMAZQYRKCJP-HNNXBMFYSA-N 475.550 2.078 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2C[C@H]2CCCS(=O)(=O)C2)c1 1300333923 GFPYYRDPXNGCGV-WOJBJXKFSA-N 485.610 2.053 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@@H](CC)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1300490116 ZRJVNQJLBUTHPZ-RTWAWAEBSA-N 471.627 2.455 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CC1(CCOC)CCC1)[C@@H]1CCS(=O)(=O)C1 1300498530 LIUZSADHYSIPCY-HXUWFJFHSA-N 457.600 2.097 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1CC1([S@](C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1300503843 GHGYKKPZIZNNQE-WHUARKNTSA-N 490.651 2.012 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCc1nccnc1C 1300677146 YNMPXYMHHVGVJB-KDURUIRLSA-N 469.590 2.476 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCn2cc(C)cn2)CC1 1300716319 KUSJCGDPCBWQFE-UHFFFAOYSA-N 485.390 2.207 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2Cc2conc2COC)CC1 1300718858 GZBWSWDITJZGPN-UHFFFAOYSA-N 452.490 2.233 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2cc(F)ccc2F)CC1 1300728878 IJSUGWVIEULGAU-UHFFFAOYSA-N 467.524 2.432 30 10 JEEE C=C(C)COCCn1c(-c2ccc(Br)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1300980844 WZGCBIVVUIPJLR-UHFFFAOYSA-N 484.420 2.382 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCCO[C@@H]2C(C)C)CC1 1301124148 GJKRLXDXPFEJSF-QHAWAJNXSA-N 481.663 2.465 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1301425303 UXELONDULZCCDF-RBUKOAKNSA-N 497.662 2.466 30 10 JEEE C=CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1301470287 YZCDJONFEOODHA-UHFFFAOYSA-N 485.614 2.213 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1CCN(c2ccncc2)CC1 1301967854 HSVYKRAONMMAAF-HKUYNNGSSA-N 457.604 2.088 30 10 JEEE CO[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1)C(C)C 1315193277 AOHNEYSCRFLUEH-RTWAWAEBSA-N 472.615 2.492 30 10 JEEE C#CCCCCn1c(N2CCC(C(=O)Nc3nncs3)CC2)nnc1[C@@]1(OCC)CCOC1 1358917756 ZXIODPSDRNNRHU-JOCHJYFZSA-N 473.603 2.440 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@@]1(N(C)C)CCSC1)[C@H]1CCS(=O)(=O)C1 1358964813 HVMOTMIFSPDGJI-URXFXBBRSA-N 487.695 2.241 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNC(=O)c2occc2C)CC1 1359031694 LXKUEPKLGZZFST-UHFFFAOYSA-N 457.538 2.294 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCN(Cc2ccccc2)CC1 1359113305 FLDHPSZVXZFDPY-HSZRJFAPSA-N 486.686 2.400 30 10 JEEE C=CC1CCN(c2nnc(-c3cc(Br)cn3C)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1359174441 CXOWEKJCVBKSJM-HNNXBMFYSA-N 476.379 2.437 30 10 JEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2ccc(C)cc2)CC1 1359208234 IFRBYXPWMNTGNU-SFHVURJKSA-N 460.604 2.125 30 10 JEEE C=CCN(c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCOC[C@@H]1OC)C1CC1 1359247999 XBKRELUFUFFKLU-NQIIRXRSSA-N 475.615 2.402 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCC[C@@H]1C 1359258730 ADXOARJREVPORQ-UNMCSNQZSA-N 488.658 2.288 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1359296403 IHMQNBCUAITTMZ-XMMPIXPASA-N 484.557 2.076 30 10 JEEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1359303420 NMPURMIVIZGYEF-UHFFFAOYSA-N 478.519 2.260 30 10 JEEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1359304354 WFBLMLYLTHGORK-GOSISDBHSA-N 456.547 2.183 30 10 JEEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1359304355 WFBLMLYLTHGORK-SFHVURJKSA-N 456.547 2.183 30 10 JEEE C[C@@H](C(=O)NCc1ccc(CN2CCOCC2)cc1)N1CCN(c2ccsc2C#N)CC1 1460413644 HCBMVICTUOMJFI-IBGZPJMESA-N 453.612 2.279 30 10 JEEE COC(=O)c1cc(C(F)(F)F)cc(S(=O)(=O)N2CCN(c3cc(C#N)ccn3)CC2)c1 1462780631 BLQOKDFHCGIALD-UHFFFAOYSA-N 454.430 2.270 30 10 JEEE C#C[C@@H]1COCCN1C(=O)NC[C@H]1CCCN1Cc1ccc(I)cc1 1478524883 CFBLXLZCBGZAHA-QZTJIDSGSA-N 453.324 2.299 30 10 JEEE CC[C@@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCS(=O)(=O)CC2)C1 1497582020 HSAOGOSYGJAJLF-QFIPXVFZSA-N 473.599 2.295 30 10 JEEE CCN(C[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(C)(=O)=O)C1)CC(F)(F)F 1502148540 FACMMJCTRJXNJF-QGZVFWFLSA-N 499.563 2.076 30 10 JEEE CSC1(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)CCOCC1 1505195193 BTATZKPAFLAIHV-SFHVURJKSA-N 491.639 2.264 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2c[nH]c3ccccc23)n1CCS(=O)(=O)N1CCSCC1 1507533393 MILBKJKWFGRLHH-MRXNPFEDSA-N 458.613 2.263 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCc1ccncc1)[C@@H]1CCS(=O)(=O)C1 1507628492 WVIJXYLRSINSNX-HXUWFJFHSA-N 466.523 2.118 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1CCc1sc(C)nc1C)[C@@H]1CCS(=O)(=O)C1 1507629957 RTPCOGKATMLDAO-QGZVFWFLSA-N 456.597 2.283 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC(=O)Nc1c(C)cccc1C)[C@@H]1CCS(=O)(=O)C1 1507633397 SEBLWDKOHJMMIP-WOJBJXKFSA-N 485.610 2.054 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1CCc1ccn(C)n1)[C@@H]1CCS(=O)(=O)C1 1507640426 SETLEEAKMUSHMO-OAQYLSRUSA-N 482.610 2.077 30 10 JEEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(Oc2ccccc2)nc1 1507642149 HDGFMHRSNOQUJC-SFHVURJKSA-N 464.551 2.197 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H](c2cccc(F)c2)N(C)C)CC1 1507721176 ZKOLZODICUKJRL-WIOPSUGQSA-N 470.593 2.127 30 10 JEEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)c1ccccc1 1507752005 TWCNDZDAHUMTLF-AZUAARDMSA-N 477.656 2.217 30 10 JEEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCC(C)CC2)CC1 1507837583 SYHDDOZYTLDEDG-IOJLRTSASA-N 468.668 2.182 30 10 JEEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@H](C(=O)NC)C1 1507941356 DPUORWYWDSMYNN-GOSISDBHSA-N 460.604 2.124 30 10 JEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](O)(c2ccc(F)cc2)C1 1507968187 QSWMAPLGPMGMAY-VGSWGCGISA-N 464.563 2.010 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1508075971 CGSWZYYXYOIIAP-SFHVURJKSA-N 470.375 2.186 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CC[C@@H](C)[C@H]1C 1508144260 SOIJNIMSXAIOOF-FGZHOGPDSA-N 486.686 2.478 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@H]1CCCN1S(C)(=O)=O 1508409249 AXMOZBGJONSAKF-FUHWJXTLSA-N 468.587 2.355 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCn1ccc2ccccc21 1508423550 HQUISIZOAICWBC-GHTZIAJQSA-N 485.614 2.252 30 10 JEEE CN(C)S(=O)(=O)c1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)ccc1Cl 1515673866 FKRCZIIWLRKVBS-CQSZACIVSA-N 456.952 2.175 30 10 JEEE COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CCCC2)CCO1 1518910886 AXVHMEDJEGABNA-LJQANCHMSA-N 459.572 2.026 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(CCOC)CC2)c1 1539043650 SMHSRSFVXPPGCL-LJQANCHMSA-N 485.610 2.053 30 10 JEEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(C(=O)NCC)CCC1 1539371113 NXOFUPHWKUKBMC-GOSISDBHSA-N 474.606 2.352 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@](C)(O)c1cc(C)oc1C 1539397263 ZLQJQIBIRPWRDB-HSZRJFAPSA-N 452.515 2.129 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCc1cnn(C)c1 1539416623 QNXBQGNOWPQQNU-HXUWFJFHSA-N 487.605 2.039 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CC2([S@@](C)=O)CCC2)CC1 1539483090 RTJYGNXMIPIQTB-MGBGTMOVSA-N 471.602 2.275 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@@H]2CCCN(C(C)C)C2)CC1 1539484695 ZOWOTDISMCBLJN-OAQYLSRUSA-N 463.630 2.350 30 10 JEEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC([C@H]2CCCO2)CC1 1539573914 GAFYSEGBOZAPTC-DZGCQCFKSA-N 462.414 2.192 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](c2ccnn2C)C1 1539916219 IJXVVWWKDAQBIN-ICSRJNTNSA-N 491.662 2.331 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1C[C@@H](OC)C(C)(C)C1 1540869136 CNILFVWFIFRTHH-LJQANCHMSA-N 479.585 2.399 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1540875252 FUBQIGXIZDFWBZ-HXUWFJFHSA-N 474.993 2.114 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CC[C@H](C(N)=O)C1 1540899160 FPNKINVMPZWMIQ-GJZGRUSLSA-N 463.629 2.044 30 10 JEEE CN(C)S(=O)(=O)N1CC2(CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)C[C@H]1C(=O)NC1CC1 1548379359 BBEBSHIDTTZTJA-IBGZPJMESA-N 499.559 2.323 30 10 JEEE COCCOCC(=O)N1C[C@@H](CO)C2(CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)C1 1548402419 IEYILNGPVPKKDJ-KRWDZBQOSA-N 455.477 2.277 30 10 JEEE C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)S(=O)(=O)c1cc(Br)ccc1C#N 1561219903 BVXWRIJNXMCSRN-NSHDSACASA-N 458.359 2.350 30 10 JEEE C#CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1587823395 PJUXBGCDAQDXPJ-LJQANCHMSA-N 458.544 2.271 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1C[C@H](C)SC)[C@H]1CCS(=O)(=O)C1 1588034589 IVISNOASVRSPIX-ZFWWWQNUSA-N 486.461 2.424 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1ccccc1N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1588058749 BSSLMZSUBNJNGB-OAQYLSRUSA-N 485.654 2.378 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC1([S@@](C)=O)CC1 1588128574 PBFVCAQLVAAHDE-MGBGTMOVSA-N 462.579 2.049 30 10 JEEE C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H](O)c2cc(Cl)c3c(c2)OCCO3)cc1 1588227712 ATQPBGDFXFBXTA-QGZVFWFLSA-N 452.916 2.039 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCSCc1ccccc1F 1588386429 OWMVKSWYQZZIPK-LJQANCHMSA-N 481.619 2.143 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccccn2)n1CCN1CCCS1(=O)=O 1588482970 ZZAKFSBNHOPKMA-UHFFFAOYSA-N 454.531 2.155 30 10 JEEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC[C@@H]1CCCCO1 1588646082 GQWBQWRBBLLMMR-NRFANRHFSA-N 453.591 2.497 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1594498762 XFAWCSNXCKPGNI-WMZOPIPTSA-N 477.635 2.357 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCS(=O)(=O)C1 1595084886 NDWIOMYNKRSHDJ-OAQYLSRUSA-N 482.610 2.403 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCOC2(CCOCC2)C1 1595475777 FOWGJORWYHPRGN-QGZVFWFLSA-N 459.522 2.245 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCN2CCCS2(=O)=O)C1 1595699022 AOSYTPBKLPDIST-SFHVURJKSA-N 451.980 2.415 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H]1c1ccccc1OC 1595753917 KPMWEVCVOBKGQO-LJQANCHMSA-N 473.599 2.465 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCc2cc(OC)c(OC)c(OC)c2CC1 1595789196 OYPVGRCFEOBOTH-UHFFFAOYSA-N 476.599 2.387 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCCN(C(=O)C(C)C)CC1 1595812510 WMKBHGBJKMMGBP-UHFFFAOYSA-N 465.645 2.226 30 10 JEEE CC(C)COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(S(C)(=O)=O)CC2)CC1 1607630498 BIFGEOGETJCHLN-UHFFFAOYSA-N 486.598 2.309 30 10 JEEE CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1629719059 HFFYZKKWUJTSIF-HXUWFJFHSA-N 454.596 2.486 30 10 JEEE C#CCN(Cc1ccc(F)cc1)[C@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 1644484931 HEUGMIIMMZULEM-GOSISDBHSA-N 459.543 2.309 30 10 JEEE Cc1ccc([C@H](CNC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)N2CCOCC2)o1 1676047138 HJZVGNOTAYLDBP-SFTDATJTSA-N 451.527 2.328 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CCCN1C[C@@H](C)C[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1689993543 GOIZFNSLELDAQK-XJUOHMSHSA-N 484.670 2.259 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCO[C@H]1C(C)C)[C@H]1CCS(=O)(=O)C1 1689993979 ONBYWRQUBJZHSC-CUWPLCDZSA-N 477.656 2.322 30 10 JEEE C#CCN(CC)c1nnc(-c2cnccn2)n1C[C@@H]1C[C@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1690072751 RUSYJVLDNURAFU-LNLFQRSKSA-N 453.547 2.219 30 10 JEEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 1690275182 XTALVFHZBXYLDH-RHSMWYFYSA-N 465.555 2.004 30 10 JEEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1690518521 MUZYEANZUPQDEV-AVRDEDQJSA-N 461.588 2.156 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCOC2)n1CCN1CCN(C(C)=O)CC1 1690560237 RCKSQMCMEUJXBX-DEOSSOPVSA-N 477.613 2.400 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CCN2CCCC[C@H]2C)CC1 1690669730 NJDLVOSDBJPIOK-QUCCMNQESA-N 457.623 2.012 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)c2c(F)cccc2Cl)CC1 1690670762 IKMPYWCLIVOEKT-MRXNPFEDSA-N 490.967 2.229 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(Cl)c1 1690724048 GVGKJHQHEUUHDB-INIZCTEOSA-N 473.020 2.071 30 10 JEEE COC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ncccc2F)CC1)OC 1697754882 BYEXFUIXZGPQNT-LJQANCHMSA-N 451.506 2.339 30 10 JEEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCN(CC(=O)NC(C)C)CC1 1705525217 AXIWJAPVSCEKAQ-UHFFFAOYSA-N 476.423 2.106 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1705576600 NBRMKZKZFGLMDT-YKSBVNFPSA-N 468.579 2.150 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3CC)n2CC(C)(C)C(=O)NC)CC1 1705651456 XIQORSYKKGHEKZ-UHFFFAOYSA-N 480.613 2.158 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccccc2C(F)(F)F)CC1 1705651484 YKCUJJJYLCFSOE-UHFFFAOYSA-N 488.514 2.433 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CC[C@@H](C(F)F)N2CCOCC2)C1 1705925730 SXPWGEMLGAHPEG-QRVBRYPASA-N 455.550 2.309 30 10 JEEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC(F)(F)CO2)[C@@H](C)C1 1705998181 VRVHQFMRGRBYPU-KXBFYZLASA-N 460.485 2.210 30 10 JEEE CN(C[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCC(C)(C)O)C1)S(C)(=O)=O 1711149802 DFQNNTBMCPAAMG-GOSISDBHSA-N 460.604 2.086 30 10 JEEE COC[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCOCC2)C1 1712254186 FGVBEYFAEDNLSM-NRFANRHFSA-N 454.575 2.314 30 10 JEEE COCCN1C[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@](C)(OC)C2)CC1=O 1712468530 FKZYEQMJUHMEOI-DVECYGJZSA-N 452.559 2.317 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)N[C@@H](C)c1ccccc1 1722296474 QKJCSDWSPXOMHT-ZJOUEHCJSA-N 488.658 2.198 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCc1ccccc1C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1722359417 SRDIUUOMUBZQPJ-KRWDZBQOSA-N 497.543 2.305 30 10 JEEE C#CCN(c1nnc(CC)n1Cc1cc(OC)ccc1OC(F)F)[C@@H]1CCS(=O)(=O)C1 1722365847 GEDGQYYRJJFXJK-OAHLLOKOSA-N 454.499 2.126 30 10 JEEE C#CCN(c1nnc(CSc2ccc(C)cc2)n1C[C@]1(OC)CCOC1)[C@H]1CCS(=O)(=O)C1 1722369848 HYBIDQFXQYQXIN-WMZHIEFXSA-N 490.651 2.311 30 10 JEEE C#CCN(c1nnc(CN2CCCC2=O)n1CC(C)(C)c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1722372279 SUAHRXABARMQBV-HXUWFJFHSA-N 487.601 2.144 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCc1cc(OC)ccc1OC 1722398345 ZYCIONCVONIEBD-FQEVSTJZSA-N 470.595 2.293 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CC2=CCCOC2)CC1 1722433083 KWJUWFUOLIXNAK-UHFFFAOYSA-N 453.543 2.073 30 10 JEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](C)CNC(=O)OC(C)(C)C)CC1 1722441915 UOTWLCMFRSKKLG-SFHVURJKSA-N 470.622 2.056 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCCN2CCCCCC2=O)CC1 1722445812 XJCIGXUUCUBMCQ-UHFFFAOYSA-N 463.586 2.099 30 10 JEEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1722481246 WZHOWHRNHOCQCS-OKZBNKHCSA-N 472.428 2.458 30 10 JEEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(NS(=O)(=O)CC)CC1 1722524124 OWGYSACPZHJNIU-GOSISDBHSA-N 498.650 2.071 30 10 JEEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)CCN1CCOCC1 1722528524 HYTPDNZKDHJFTJ-UHFFFAOYSA-N 453.385 2.397 30 10 JEEE C=CCCCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1722601163 DQFPGUUOJLQRJW-UHFFFAOYSA-N 454.575 2.483 30 10 JEEE C=CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1722612810 XEMFZTGNGYYGCW-MRXNPFEDSA-N 466.546 2.460 30 10 JEEE C=CCCCn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1722614084 ANYLNXUMUTWXOY-LJQANCHMSA-N 460.604 2.246 30 10 JEEE C=CCCCn1c(COc2cccc(C)c2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1722619408 BGEQVZXAGLVWBC-UHFFFAOYSA-N 468.602 2.113 30 10 JEEE C=CCN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1CCCN1S(C)(=O)=O)C1CC1 1722644140 ODWOMAWXGKNDEZ-LJQANCHMSA-N 493.033 2.440 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)C(F)(F)F)C1CC1 1722650710 JFPPNMGUDBPGCE-AWEZNQCLSA-N 451.515 2.354 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1722661646 MSSXURILKUWXOV-FIKGOQFSSA-N 481.644 2.481 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)C[C@@H](C)C#N)n1CCc1ccc(Br)cc1 1722863013 GPUVPLQCKFKDHP-KBPBESRZSA-N 469.409 2.489 30 10 JEEE C[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](C(F)(F)F)C1)N1CCOCC1 1723855940 GJWJFNAORVGLQZ-QFBILLFUSA-N 480.491 2.217 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCSC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1740626147 JTYULLGTYUNCIB-KGLIPLIRSA-N 452.524 2.399 30 10 JEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1CCN(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1740627322 ZUEMNMSXZLYNFQ-FQEVSTJZSA-N 464.035 2.489 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H](CC)c2ccccc2)n1CC1(O)CCS(=O)(=O)CC1 1740649646 ZCBGDHRHYLYYJN-NRFANRHFSA-N 454.596 2.223 30 10 JEEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(F)cc1C(F)(F)F 1740679491 AHOZDEQPSFXKQW-ZDUSSCGKSA-N 477.484 2.181 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1OC(F)(F)F 1740686347 QVZCYSXSAILHRD-MRXNPFEDSA-N 472.489 2.213 30 10 JEEE C=C(Cl)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1740805763 WSHXKYLNPZGYAT-UHFFFAOYSA-N 459.938 2.350 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1)C(C)C 1740927327 SXIZBSZJADVRPV-UPUUWEMXSA-N 472.634 2.312 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN(C(C)=O)C1 1740937548 JAZXNOZSPNKEDO-PMACEKPBSA-N 475.615 2.267 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 1740957637 VHRGPYCFCICABV-QGZVFWFLSA-N 451.506 2.219 30 10 JEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(NC(=O)NC2CCCCC2)CC1 1740963379 JBIKHGXRCJORQM-UHFFFAOYSA-N 497.648 2.043 30 10 JEEE CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1CCCc1cnn(C)c1 1747395630 GYUBVZDQIZDQBG-KRWDZBQOSA-N 455.588 2.442 30 10 JEEE CCS(=O)(=O)NCCn1c(-c2ccccn2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1747443486 GRVQXXLIWMEQDD-UHFFFAOYSA-N 463.567 2.445 30 10 JEEE C#CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](S(C)(=O)=O)C1 1748717746 HNSMVLPOYVBBHS-ROUUACIJSA-N 481.619 2.013 30 10 JEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CCSCCCO)[C@H]1CCS(=O)(=O)C1 1748807652 APCXFUHAQVJWEV-SFHVURJKSA-N 469.032 2.341 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1CCOc1ccc(F)c(F)c1)[C@H]1CCS(=O)(=O)C1 1748818132 WDFPGZKXKBRXEI-INIZCTEOSA-N 452.527 2.461 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@@](C)(OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1748820029 XRKUYQOKDFTBBJ-HYBUGGRVSA-N 472.611 2.319 30 10 JEEE C#CCN(c1nnc(COc2ccccc2OC)n1C[C@@H]1CCC[C@H]1OC)[C@H]1CCS(=O)(=O)C1 1748825267 XDBNITAZBQRFTR-SLFFLAALSA-N 488.610 2.308 30 10 JEEE C#CCN(CC#CC)c1nnc(COc2ccc(OC)cc2)n1CC1(S(C)(=O)=O)CCC1 1748902226 DHCIKONSYVGCPK-UHFFFAOYSA-N 456.568 2.296 30 10 JEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(C(C)(C)O)cc1 1748960999 UKETYZSRYSGOFJ-UHFFFAOYSA-N 451.527 2.368 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@](C)(O)c2ccsc2)CC1 1749010145 OHJPQDLBFKPUBP-AUSIDOKSSA-N 457.600 2.455 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCCN(C(=O)C(C)C)CC1 1749114307 AAQZSTIQGONVBF-UXHICEINSA-N 458.607 2.190 30 10 JEEE C=C(Cl)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1749252740 GDTBDQTXIGZZQH-NSHDSACASA-N 463.789 2.258 30 10 JEEE COCC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[S@@](=O)C(C)(C)C)CC1 1749256463 FKJJHJAPHUUHAA-MGBGTMOVSA-N 472.615 2.095 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1749661083 XQLNKSFORUEJLG-MJGOQNOKSA-N 454.575 2.328 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1 1749663391 CQMADHWEAHXQGM-UHFFFAOYSA-N 453.934 2.191 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@H](C)[C@@H]1C 1749730690 NAIHKRIWLYMWBH-HOTGVXAUSA-N 466.633 2.074 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCO[C@@H](c2nccs2)C1 1749731744 JHIQPBYEDYMACF-HZPDHXFCSA-N 453.590 2.155 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1Cc1ccc(N(C)C)cc1C)[C@H]1CCS(=O)(=O)C1 1760183693 CVRRPBHHKSHATR-NRFANRHFSA-N 466.611 2.333 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1nnc(C)s1)[C@H]1CCS(=O)(=O)C1 1760192569 KFAAIUHDUZLYSI-YQVWRLOYSA-N 492.671 2.226 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1C[C@@H](C)N1CCN(c2ccccc2)CC1 1760249610 PAROBECFRCOCCX-PKTZIBPZSA-N 466.630 2.469 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1760272710 SLYOLZGIHOWSAE-UHFFFAOYSA-N 480.598 2.219 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C)C(C)(C)C1 1760322419 SGRWDAYYZPJZJN-YRPNKDGESA-N 481.663 2.465 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C[C@H]1CCOC1)C1CC1 1760412390 KLMRMKHDFGRWBR-IEBWSBKVSA-N 467.636 2.219 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(CC(=O)NC2CCCC2)CC1 1760523486 AAPFRDXVRZPTKS-LJQANCHMSA-N 458.607 2.140 30 10 JEEE CC(C)C(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1760858087 BIRFNYXLSKWSAZ-UXHICEINSA-N 452.559 2.364 30 10 JEEE CC(C)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N2CCCCC2)CC1=O 1761129354 BXSVZJWYMWRXMA-UHFFFAOYSA-N 493.612 2.436 30 10 JEEE Cc1nc(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCC(OCC(N)=O)CC2)cs1 1762316524 FFZIJUPYIXBATM-UHFFFAOYSA-N 481.582 2.207 30 10 JEEE CC[C@@H](C)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1)OC 1763442013 CJFRJKOYDPJEGI-UTKZUKDTSA-N 462.558 2.465 30 10 JEEE CC[C@@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CC1(N(C)C)CCOCC1 1763740944 HMRSMFYFNNHTGX-GOSISDBHSA-N 469.638 2.143 30 10 JEEE COCC1(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CC[C@](F)(C#N)C2)CCOCC1 1769325564 HFQWYRYNCVAXKL-QFIPXVFZSA-N 477.562 2.234 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)C[C@@H]1CCOC1 1772567148 KFYVNMHRISJUDK-ROUUACIJSA-N 462.595 2.168 30 10 JEEE C=CCOC(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 1859010454 WPTKBLOQOFOOAD-UHFFFAOYSA-N 478.523 2.286 30 10 JEEE CCN(CC)C(=O)COc1ccc(/C=C/C(=O)C(=O)N2CCN(C(=O)c3ccco3)CC2)cc1 1860634994 NDRVLEGZJZDDMP-FMIVXFBMSA-N 467.522 2.094 30 10 JEEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 1862754322 JGVXGKFKXNKVAX-SFHVURJKSA-N 454.395 2.217 30 10 JEEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)NCCc1ccc(S(N)(=O)=O)cc1)n2CC 1873571661 XOWJINVAEWRBPS-UHFFFAOYSA-N 468.583 2.250 30 10 JEEE CC(C)N1C(=O)CS[C@H](C(=O)N2CCC(C(=O)NC3CC3)CC2)[C@H]1c1ccc(C#N)cc1 1890192925 KOYQHTNNPPOQSY-YADHBBJMSA-N 454.596 2.469 30 10 JEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(CO)(CNC(=O)OC(C)(C)C)CC1 2082782690 MZFLGWIWYZDCQO-KRWDZBQOSA-N 453.580 2.419 30 10 JEEE 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 2223128860 YMGOCOYIDLYOCQ-ILOCAZANSA-N 453.580 2.436 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NC[C@@H]2CO[C@@H](CNC(=O)OC(C)(C)C)C2)C1 2255149305 WLDJLEOZHBPDJY-IHSWXRNOSA-N 451.564 2.339 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)C1CCC1 2256668640 DHASYGZDLJQCRP-ZDUSSCGKSA-N 452.386 2.281 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](C(=O)N1C[C@H]2[C@H](B3OC(C)(C)C(C)(C)O3)[C@H]2C1)[C@H](O)C(F)(F)F 2265312176 PUYNSJMTUBCYAH-HTOAHKCRSA-N 464.290 2.354 30 10 JEEE Cn1cc(C(=O)NC2CC3(C2)C[C@H]3NC(=O)OCc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)n1 2267126979 FDZJDYPMUBMTIP-WHEQYPTASA-N 480.374 2.297 30 10 JEEE Cc1nc(C(=O)NC[C@H]2CCCCN2C(=O)C(F)(F)F)c(B2OC(C)(C)C(C)(C)O2)s1 2267485028 CUHUDCJVFQDMOB-GFCCVEGCSA-N 461.315 2.424 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](CNC(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)CO1 2267488038 SWNLNBZLEIRQBF-UONOGXRCSA-N 467.397 2.102 30 10 JEEE CO[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)c1occc1B1OC(C)(C)C(C)(C)O1 2267488114 RMFHVRDWAAIPAU-HOTGVXAUSA-N 450.341 2.333 30 10 JEEE Cn1ncc(CNC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)c1NC(=O)OC(C)(C)C 2267548362 GBASIJGNIUFGCI-UHFFFAOYSA-N 463.369 2.453 30 10 JEEE CN(C[C@@H](O)CNC(=O)OC(C)(C)C)c1ccc([N+](=O)[O-])c(B2OC(C)(C)C(C)(C)O2)c1 2267779855 YHWGGPPVNZCCNT-HNNXBMFYSA-N 451.329 2.216 30 10 JEEE COC(=O)[C@@H](CC(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)s1)NC(=O)OC(C)(C)C 2268667078 SUVHUUQDIDPPDV-CQSZACIVSA-N 468.381 2.120 30 10 JEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCC(NC(=O)C(F)(F)F)CC1 2270587870 WCKYMCRWOXZNBW-UHFFFAOYSA-N 482.355 2.187 30 10 JEEE CN(CC(C)(C)N(C)C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2273280146 GAHYOCRZURBZNV-UHFFFAOYSA-N 450.389 2.437 30 10 JEEE Cn1nc(C(=O)N2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)cc1B1OC(C)(C)C(C)(C)O1 2281981428 NQVKQBXPRLEFMT-CVEARBPZSA-N 460.384 2.048 30 10 JEEE Cc1nn(C)c(C(=O)N(C)CCC2CN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2281990030 HUUZRIHUHMQHGA-UHFFFAOYSA-N 462.400 2.357 30 10 JEEE COCC[C@@H](CNC(=O)c1nc(C)ccc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2282034750 MHDPTHFAWKYDCA-INIZCTEOSA-N 463.384 2.349 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1C[C@@](F)(CNC(=O)OC(C)(C)C)C1 2282044463 UOFRPLMRZSVEPE-CAJLXGCNSA-N 466.363 2.092 30 10 JEEE Cc1c(C(=O)NC[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282553614 ZGWPKORLYMIHPG-QHCPKHFHSA-N 462.400 2.405 30 10 JEEE Cn1ncc(C(=O)N2C[C@@H]3CN(Cc4ccccc4)CC[C@H]3C2)c1B1OC(C)(C)C(C)(C)O1 2282558816 LKIAMTZSUOPIOQ-PMACEKPBSA-N 450.392 2.313 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N=[S@@](C)(=O)C[C@@H](C)NC(=O)OC(C)(C)C 2282581852 NTMFLTKVNRHOMR-AYIMHOFYSA-N 484.428 2.179 30 10 JEEE CC(C)(C)OC(=O)N1CC(N(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)[C@@H]2CCOC2)C1 2282636207 JTQSKGDNVBFFMN-MRXNPFEDSA-N 461.368 2.164 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CN(c3ccc(N)c(B4OC(C)(C)C(C)(C)O4)c3)C[C@@H]2[C@H]1CO 2283032257 RHLBLEVQVJCKGH-RIFZZMRRSA-N 459.396 2.232 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CC(=O)NCc2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2283943685 CMBAOPZCSPSOCF-PKOBYXMFSA-N 460.380 2.220 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCO[C@H]1C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2285181986 CLXPDJGEASMZTM-ZWKOTPCHSA-N 464.343 2.423 30 10 JEEE CCOc1ccc(Cc2nnc(SCC(N)=O)n2N=Cc2cc(OC)c(O)c(OC)c2)cc1 2328565118 AUWVGGZNIQCYFZ-UHFFFAOYSA-N 471.539 2.450 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H](CNC(=O)OC(C)(C)C)C(C)(C)C1 2362342029 PVHJALMCQUZGDH-OAHLLOKOSA-N 462.400 2.342 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H]3C[C@H]23)n1C 2362488239 UDDZTEOYTDBYNS-OWCLPIDISA-N 460.384 2.155 30 10 JEEE Nn1c(N/N=C/c2ccc(O)cc2O)nnc1SCC(=O)Nc1ccc(OC(F)(F)F)cc1 20292338 STPMTQQBYKTAOZ-LIMNOBDPSA-N 483.432 2.479 30 10 JEEE CCCCCCCCCc1cc(=O)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc12 85604404 MQILYRRBBFTJFC-PFKOEMKTSA-N 450.528 2.265 30 10 JEEE CC#CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](CC(=O)OC)C(=O)O 757197446 CRUNQKCYINIPJE-YADHBBJMSA-N 478.501 2.440 30 10 JEEE Cc1nn(CCO)c(C)c1C=NNc1nc(SCC(=O)Nc2sc3c(c2C#N)CCC3)n[nH]1 1083853521 CEAJBQVUCBNPKA-UHFFFAOYSA-N 485.599 2.209 30 10 JEEE COC(=O)c1ccc2c(c1)CN(C(=O)[C@@H](CC(C)C)/N=C1/NS(=O)(=O)c3ccccc31)C2 1136686420 CHQXGGCWOCAVSL-LJQANCHMSA-N 455.536 2.469 30 10 JEEE C#CC[C@@]1(C(=O)N2CCC(C(=O)OCC)([S@](C)=O)CC2)CCCN1C(=O)OC(C)(C)C 1158402461 JBCGDYNMFCOMHA-BGOLNKOXSA-N 454.589 2.082 30 10 JEEE C=C[C@@H]1OCC[C@H]1C(=O)NCCN1C(=O)S/C(=C/c2cc(OC)c(OC)c(OC)c2)C1=O 1264351877 PWOWVSVUWHZEJC-NLGCMCFESA-N 462.524 2.456 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@](O)(c1ccccc1)C(F)(F)F 1286299743 YMGULISBHNLMTO-QMTMVMCOSA-N 456.490 2.088 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1CCC[C@H](O)C1)[C@H]1CCS(=O)(=O)C1 1286382054 IUGDNCOQJGESGC-HOJAQTOUSA-N 488.610 2.140 30 10 JEEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1CCCN(C(C)=O)C1 1286445646 ACJYPHSFESBACZ-FQEVSTJZSA-N 450.591 2.170 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCc1csc(C)n1 1286461294 WQXRTZZCTFRILP-UHFFFAOYSA-N 459.597 2.442 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC2([S@](C)=O)CCC2)CC1 1286474190 DTZNJEMOCUTZOM-YTTGMZPUSA-N 457.600 2.019 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCCn2cccn2)CC1 1286489403 RFMIJJOELQBFAZ-UHFFFAOYSA-N 477.569 2.215 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC2(O)CCC2)CC1 1286492079 GHDVHRKXWXXHDG-UHFFFAOYSA-N 451.571 2.355 30 10 JEEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC2(CCN(C)C2=O)CC1 1286500323 QRUBABCXDZUKOZ-UHFFFAOYSA-N 487.651 2.164 30 10 JEEE C#CCSCCn1c(CCc2ccc(OC)cc2)nnc1N1CCC(N2CCNC2=O)CC1 1286507523 BBKVNRUDAQWRAV-UHFFFAOYSA-N 468.627 2.432 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H](C)CN1CCOCC1 1286517925 MYEBNXPYEZSVMZ-NTKDMRAZSA-N 471.627 2.309 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1286546851 LVIZTMUHVAEBFD-HKUYNNGSSA-N 464.592 2.023 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@]1(C)CN(C)C1=O 1286570261 RLDWNVQXHXMORS-JOCHJYFZSA-N 459.620 2.427 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCCO1 1286772381 CGQNNKCJYJJOKM-ZWKOTPCHSA-N 451.568 2.404 30 10 JEEE C=CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1286774343 JKLKRVXRNCTNGI-HXUWFJFHSA-N 487.649 2.323 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)OCCOC)nnc1N1CCc2[nH]c3ccccc3c2CC1 1286778815 FLDHGRQPLFGQEB-KRWDZBQOSA-N 452.559 2.391 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCOc2cccc(F)c2)C1 1286810790 VTPNKYRSXQBKTD-APWZRJJASA-N 450.536 2.180 30 10 JEEE CC(C)NC(=O)c1nnc(N(C)C[C@@H](C)C#N)n1Cc1ccccc1CN1CCC[C@H]1CO 1286959844 IDVYIAMLAVECDA-RXVVDRJESA-N 453.591 2.017 30 10 JEEE CC(C)NC(=O)c1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1CC1CCS(=O)(=O)CC1 1288067089 GKHCBAIGJKHLCY-UHFFFAOYSA-N 470.599 2.282 30 10 JEEE COc1ccccc1OCc1nnc(N2CCC(C#N)CC2)n1CCCN1CCC(O)CC1 1300636586 CTJSVNOVWIRVJC-UHFFFAOYSA-N 454.575 2.452 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc[nH]2)n1CCS(=O)(=O)N1CCSCC1 1300649318 UNKIDMWZMYSRNS-UHFFFAOYSA-N 488.614 2.431 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCC(=O)N[C@@H](C)CC)CC1 1300685078 FVMVHCPYBPOUQK-HNNXBMFYSA-N 462.396 2.096 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)Nc2ccccc2)CC1 1300761988 FVFGYMIBTIWZAA-LJQANCHMSA-N 487.651 2.402 30 10 JEEE C=CCCCn1c(-c2ccc(Br)s2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1301208574 YZIDSBURQYZHEI-UHFFFAOYSA-N 492.407 2.071 30 10 JEEE C=CCCOCCn1c(-c2cc(Br)cn2C)nnc1N1CCN2CCOC[C@@H]2C1 1301241072 MRFDXCQLRMUEKR-KRWDZBQOSA-N 465.396 2.160 30 10 JEEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ccnc(-n2cccn2)c1 1301278551 NPBKULKFAYSNCF-UHFFFAOYSA-N 478.582 2.447 30 10 JEEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCOC2)C[C@@H]1C 1301927381 DSMWSBSXOMLPHS-FPOVZHCZSA-N 454.575 2.312 30 10 JEEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H](C)c2cc(F)ccc2N2CCN(C)CC2)n1 1311821367 XXUVYVHUISTFSR-LJQANCHMSA-N 456.566 2.326 30 10 JEEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCC(C#N)CC3)n2CC2([S@](C)=O)CCC2)c1 1314670913 FMNHXTDFCFSDTR-YTTGMZPUSA-N 490.655 2.237 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC[C@H]1COCCO1 1358885822 RICRJCPYYWXEOJ-MSOLQXFVSA-N 450.543 2.328 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cnccc1OC 1358890131 LMQPKWQQEJYZTQ-WMZOPIPTSA-N 456.547 2.496 30 10 JEEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1358936843 ZLNVJVHLDCGPGN-IBGZPJMESA-N 482.589 2.350 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCNC(=O)c1ccc(C)c(F)c1)[C@H]1CCS(=O)(=O)C1 1358958500 PNRRUFDGDXODPP-IBGZPJMESA-N 499.568 2.351 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@@](C)(OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1358959413 IKUPDWKNUZQANW-WZONZLPQSA-N 458.584 2.396 30 10 JEEE C#CCN(c1nnc(-c2cc(-c3ccccc3)on2)n1CCOCC)[C@H]1CCS(=O)(=O)C1 1358962035 JCHVBDZNIMGOTN-SFHVURJKSA-N 455.540 2.263 30 10 JEEE C#CCN(c1nnc(COCC)n1Cc1c(C)nn(-c2ccccc2)c1C)[C@H]1CCS(=O)(=O)C1 1358967377 JFXYZYYEDZBNSX-NRFANRHFSA-N 482.610 2.292 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCn2ccnc2C1 1358979184 FPRSWWOXMXANEI-WOJBJXKFSA-N 479.585 2.118 30 10 JEEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2CCN2CCOCC2(C)C)CC1 1359038899 PAUFXYCGKQEJIF-UHFFFAOYSA-N 466.630 2.340 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](C)Cc2ccc(OC)cc2)CC1 1359040410 TYSXVETZJQSBCK-IBGZPJMESA-N 480.613 2.270 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(OCCC)cc2)CC1 1359040547 ZRXHTXBIVHGJNB-UHFFFAOYSA-N 478.597 2.317 30 10 JEEE C=C(C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1359119313 KIBDMWQAPWZEJF-UHFFFAOYSA-N 493.395 2.335 30 10 JEEE C=CCCCCn1c(-c2cnn(C)c2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1359201441 OFKORHKUZYUUFC-QFIPXVFZSA-N 456.639 2.266 30 10 JEEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)c2ccccc2)CC1 1359336480 RGOXMFPIGODOMM-UHFFFAOYSA-N 454.600 2.396 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CCN(C(=O)OC(C)(C)C)C1CC1 1360671651 HZMJSBMNKGJYQS-HNNXBMFYSA-N 481.623 2.028 30 10 JEEE N#Cc1ccncc1N1CCN(C(=O)[C@@H]2CC(=O)N(c3cccc(Br)c3)C2)CC1 1450467334 FHFMTJXPNQYCCH-MRXNPFEDSA-N 454.328 2.417 30 10 JEEE C[C@@H](CNC(=O)CNS(=O)(=O)c1cccc(C#N)c1)Oc1ccccc1Br 1472523187 HRSSFXHQPNFIFR-ZDUSSCGKSA-N 452.330 2.183 30 10 JEEE CCN(C)C(=O)Cn1c(COc2ccccc2F)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1501434218 FAUBXZJBJPXOCU-UHFFFAOYSA-N 478.532 2.068 30 10 JEEE N#C[C@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cc(Cl)ccc2OC(F)F)CCO1 1505321665 DHVVMJFESNAPKL-KBPBESRZSA-N 452.849 2.261 30 10 JEEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccccc1CN1CCC[C@H]1CO 1507617840 CIQYOJCHLKIFSS-NRFANRHFSA-N 478.622 2.344 30 10 JEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1C[C@H]1CCCN1CC)[C@@H]1CCS(=O)(=O)C1 1507633207 CIFDENQURGZHEQ-FGZHOGPDSA-N 485.654 2.183 30 10 JEEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1507657445 SSXGRGVVCIHWNK-LJQANCHMSA-N 454.575 2.120 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCCOC1 1507663155 UZSYJYJPNWBXTA-IBGZPJMESA-N 455.584 2.085 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccccc2OC)n1Cc1ccc(N2CCOCC2)nc1 1507709147 SGXJYIOREQQBJV-UHFFFAOYSA-N 462.554 2.320 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CC(C)(C)OCC)CC1 1507734852 ACAUBSGVWKJSRW-UHFFFAOYSA-N 453.543 2.455 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 1507740736 DYYJHPBDOSBXCH-IBGZPJMESA-N 488.633 2.428 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1507799019 UXNLZLKWCNDEJK-SIKLNZKXSA-N 483.573 2.045 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1507808352 QQDWIVBEXKNESC-UWVAXJGDSA-N 470.540 2.455 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCO[C@@H](c2nccs2)C1 1508095590 YNLCDSNZECOTOL-GOSISDBHSA-N 470.555 2.202 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CC[C@](O)(c2ccc(F)cc2)C1 1508142661 AUEKGJZVXFLXFN-JOCHJYFZSA-N 491.614 2.472 30 10 JEEE CC(=O)N1CCN(CCn2c([C@H]3CCCCO3)nnc2N(C)Cc2ccc(C#N)cc2)CC1 1508277860 HTPSUNQPTOERDJ-JOCHJYFZSA-N 451.575 2.192 30 10 JEEE CCS(=O)(=O)CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C#N)C1 1516815061 BFCHMVLOGYZNRR-HNNXBMFYSA-N 455.993 2.387 30 10 JEEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H](c1ccc(C)o1)N1CCOCC1 1539237399 CQEDXNRFAVQFPS-ATIYNZHBSA-N 481.597 2.366 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCCN1CCOC1=O 1539315613 PMUPJAQTSXRQDX-UHFFFAOYSA-N 487.564 2.370 30 10 JEEE C#CCN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1CCS(=O)(=O)CC1 1539340523 NWRFIQJBERQKRB-UHFFFAOYSA-N 463.991 2.146 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@](C)(O)C(C)C)CC1 1539481460 AFRCMNHQIGOCBY-RUZDIDTESA-N 453.587 2.250 30 10 JEEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](n2cncn2)C1 1539499106 DOYHIMDDBJCNQZ-GOSISDBHSA-N 471.612 2.148 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1540863020 NWEAMOIFHSDBHN-SJLPKXTDSA-N 458.538 2.164 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc4cccnc34)n2CCCNS(C)(=O)=O)C1 1540888002 IAOXVAOGNMMKPT-GOSISDBHSA-N 456.572 2.214 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](Oc2ccccc2Cl)C1 1540897936 WAPGUJNLCHNWFQ-QGZVFWFLSA-N 494.017 2.426 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2cccs2)CC1 1540902897 TWESTHRHMVIYLU-QGZVFWFLSA-N 451.618 2.161 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCC[C@@H](c3ccnn3C)C2)nnc1[C@]1(OC(C)C)CCOC1 1540908846 PBXRCEKOCBORLQ-XXBNENTESA-N 492.646 2.037 30 10 JEEE CC(=O)N1CCN(CCn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H](C(F)F)C2)CC1 1541005167 LOGLEVUFPJRWHU-HXUWFJFHSA-N 457.529 2.462 30 10 JEEE CC(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(N(C)C)CCOCC2)C1 1541051542 BZSKQXRLNRYQFL-OAQYLSRUSA-N 465.602 2.280 30 10 JEEE C[C@H](C#N)CN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCN1CCOCC1(C)C 1541112076 FDJJWTSBXIJWLE-MRXNPFEDSA-N 450.547 2.301 30 10 JEEE CC[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)C1 1546664330 HLUXGPHVVUASHU-GOSISDBHSA-N 458.588 2.391 30 10 JEEE N#CCC1CCN(c2nnc(C3CCCC3)n2CCS(=O)(=O)N2CCSCC2)CC1 1555995540 AOUNWXZJFZZJOO-UHFFFAOYSA-N 452.650 2.444 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1CC(=O)N1CCOCC1 1587579018 BTZBWQJDDQGVIZ-CQSZACIVSA-N 462.348 2.033 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1CCc1ccn(C)n1)[C@H]1CCS(=O)(=O)C1 1588040171 IWACXTGUYGYNEY-SFHVURJKSA-N 489.001 2.210 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1CCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1588069533 PZTZRMOLSKOSAM-NRFANRHFSA-N 471.627 2.196 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1588074497 NNVNWUAAYQMBCA-QYZOEREBSA-N 493.630 2.013 30 10 JEEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCc1nccnc1C 1588158570 HAPDMYHRNLFRMR-UHFFFAOYSA-N 468.609 2.057 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(N2CCC(CO)CC2)cc1 1588170716 MITDIAKTPUFJGM-UHFFFAOYSA-N 474.609 2.234 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCc1cnn(C)n1 1588258566 DGEYNMQMSYIMNO-PUZFROQSSA-N 466.590 2.273 30 10 JEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N(C)C[C@H]1CN(CC)c2ccccc2O1 1589060700 WWFAYNWPTNXHEG-ZWKOTPCHSA-N 454.600 2.319 30 10 JEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(Cc2cccc(F)c2)CC1 1589109445 ABEZUXKJOXHKQO-UHFFFAOYSA-N 456.591 2.228 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCCN1CCC(C)CC1 1589215916 IBYVDTMHXLVNIC-XUZZJYLKSA-N 492.690 2.115 30 10 JEEE C=CCOc1ccc(Cn2c([C@H]3CCOC3)nnc2N2CCC[C@@H](CNS(C)(=O)=O)C2)cc1 1595614559 XNGUEKCMTSPIHQ-PMACEKPBSA-N 475.615 2.161 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccc3F)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1595738053 KSBGVPCFQVLAMQ-KYAFNBKBSA-N 466.517 2.316 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)Cc1ncc(Cl)n1C 1595765621 FBFJPDJYSRLXRP-UHFFFAOYSA-N 479.950 2.477 30 10 JEEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C[C@@H]2CCOC2)C1 1595883981 DYODQRPVKSNBNJ-UFYCRDLUSA-N 499.703 2.173 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC2CC2)C1 1597536003 DHTUEYONIPMAAC-LJQANCHMSA-N 495.584 2.358 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCOc1ccc(Cl)cn1 1608562488 CYTHXRRSRNHOJR-UHFFFAOYSA-N 495.975 2.137 30 10 JEEE C#CCN(C(=O)N[C@H](C)c1cc2c(cc1Br)OCCO2)[C@@H]1CCS(=O)(=O)C1 1675471046 NSSJMGKGFOBZOC-CHWSQXEVSA-N 457.346 2.113 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1Cc1csc(COC)n1)[C@H]1CCS(=O)(=O)C1 1689984999 ZWKQRPBBZPBVPW-SFHVURJKSA-N 487.607 2.232 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1CCCOc1ccccc1C)[C@H]1CCS(=O)(=O)C1 1689989201 BXFOEWDMJMYBNY-PMACEKPBSA-N 458.584 2.186 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H](C)Oc1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 1689998255 GXJKILCXBGBLFH-LVCYWYKZSA-N 474.583 2.232 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@H](OC)C2CC2)CC1 1690148355 DKQUDQPMMGATLH-JOCHJYFZSA-N 451.571 2.268 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1cnn(C)c1 1690432632 HZXAVFAYKCBOTD-MOPGFXCFSA-N 477.635 2.288 30 10 JEEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1690452057 VYQDEHHNFUJOHW-SFHVURJKSA-N 473.603 2.286 30 10 JEEE C=CCNC(=O)Cn1c(N2CCCN(Cc3ccccc3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1690677249 SFLGNOGBNYOLQH-SANMLTNESA-N 482.629 2.333 30 10 JEEE CCS(=O)(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCSC2)CC1 1696492025 CSPACTWFWLAKIK-QGZVFWFLSA-N 460.629 2.478 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(CS(C)(=O)=O)cc1 1705479679 NRYNTLNPRVIAGR-JPYJTQIMSA-N 460.600 2.370 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@@H](C)Oc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1705560069 CYXBYXMUFUJBCQ-REHUZNOOSA-N 488.610 2.024 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1C[C@H]1CN(Cc2ccccc2)CCO1)[C@@H]1CCS(=O)(=O)C1 1705560412 KPETXPHGAOSVAF-FGZHOGPDSA-N 485.654 2.103 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@@H]1CCN(CC(F)(F)F)C1)[C@H]1CCS(=O)(=O)C1 1705562722 IGFBSDMVQQTABK-SJORKVTESA-N 485.532 2.357 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1705562835 LMMFOFRPPUALHS-MJGOQNOKSA-N 474.583 2.158 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H](C(C)C)N1CCOCC1 1705607317 YLOMKKCCXCFIBH-JOCHJYFZSA-N 488.658 2.012 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2CCn2cc(Br)cn2)CC1 1705644448 QYFHHIZTCDMGJM-HNNXBMFYSA-N 462.396 2.417 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCNC(=O)c1cc[nH]n1 1705716421 KSOBQAKVIQGEPZ-GOSISDBHSA-N 488.593 2.142 30 10 JEEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1705819371 KIMCGWNWVLIDIZ-SFHVURJKSA-N 458.563 2.484 30 10 JEEE C=CCn1c(Cc2ccc(F)cc2)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1705891215 JMQPQBPPIXUNRU-QRVBRYPASA-N 491.589 2.321 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1705898526 ONUXGUBRAFHSDB-VWLOTQADSA-N 485.585 2.429 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1705902455 FJSQQDQTQOQUJY-OALUTQOASA-N 498.632 2.422 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2ccc(C(C)=O)cc2F)CC1 1705908769 HAWAVVLASURTEE-HXUWFJFHSA-N 456.522 2.100 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H]1c1ccc2c(c1)OCO2 1705928728 TXICTKYOCWQAKS-KRWDZBQOSA-N 475.571 2.087 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1705930090 FBDJZYSCIAEVAG-BMGDILEWSA-N 480.518 2.272 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CCC[C@H]1c1nncn1C 1705938486 ZZQHLEHGXBLPSS-IBGZPJMESA-N 471.587 2.236 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1Cc1nccs1 1706619279 APQSRTLRFZXSBX-UHFFFAOYSA-N 454.535 2.258 30 10 JEEE CC(C)NC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1706647959 DNHITOOSPKHDGP-UHFFFAOYSA-N 481.601 2.337 30 10 JEEE CCS(=O)(=O)N(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1710884615 DWZUHEIYSCUYLX-LEWJYISDSA-N 472.615 2.351 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(Cl)c(OC)c(OC)c1 1722297207 YQPNCOHASQFIIL-ZFWWWQNUSA-N 452.964 2.357 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1722359507 NRUPNHAIMXLUJV-FQEVSTJZSA-N 458.584 2.397 30 10 JEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CC[C@@H](C)c1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1722360170 ZTFRGCVEHHGULE-CTNGQTDRSA-N 499.637 2.343 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1ccco1 1722421005 KSTNWAJLKXSNRB-FDDCHVKYSA-N 472.542 2.460 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(OC)c(OC)c2)n1Cc1nnc2n1CCCCC2 1722423581 IRVXULDEZNAARA-UHFFFAOYSA-N 465.558 2.415 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccccc2Br)n1CCN/C(O)=C1\N=CC=CC1=O 1722424417 MAFSVFAGFSMNCS-XUTLUUPISA-N 499.369 2.320 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2Cc2cccc(CS(C)(=O)=O)c2)CC1 1722444553 KQYIPMZSFYZZND-GOSISDBHSA-N 471.627 2.350 30 10 JEEE C#CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CCN(CCOC)CC1 1722452503 PRYNGBLESKZMCA-UHFFFAOYSA-N 467.437 2.181 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC[C@@H]1NC(=O)NC1=O 1722640324 DDCLZNGUAXHODT-CVEARBPZSA-N 461.567 2.003 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1722699436 IMYFZJCRJSOWJK-QFIPXVFZSA-N 486.064 2.429 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)NC)CC1 1722731323 KASMGDVGHGQOJH-UHFFFAOYSA-N 452.559 2.090 30 10 JEEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1722736945 NQJCLODDJVJHAT-QGZVFWFLSA-N 480.635 2.163 30 10 JEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1722739233 TTXLURNXJLBZMT-RBUKOAKNSA-N 479.676 2.224 30 10 JEEE CC(C)N(CCn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1)C(C)C 1723535912 HRCQVWWPOISRMD-UHFFFAOYSA-N 453.591 2.231 30 10 JEEE CO[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(Cc2cc(C)on2)CC1 1729839894 BUWYCAAZNUQSPC-SFHVURJKSA-N 451.531 2.382 30 10 JEEE COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC2(C(=O)N(C)C)CCCC2)cc1OC 1730089826 DDKSVXSJTAOHRV-SFHVURJKSA-N 468.558 2.340 30 10 JEEE COc1ccc(Cn2c(Cc3cccnc3)nnc2N2CCO[C@@H](C#N)C2)c(OC)c1OC 1730165982 BXFIBUFAVNFACO-SFHVURJKSA-N 450.499 2.067 30 10 JEEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(S(=O)(=O)CC)CC1 1740588766 GNEGHLLAXXRXCV-UHFFFAOYSA-N 468.583 2.009 30 10 JEEE C#CCN(c1nnc(-c2cc(C)nc3ccccc23)n1C[C@@](C)(O)CCOC)[C@H]1CCS(=O)(=O)C1 1740621012 ZIBDLFUDTUZOGU-DFBJGRDBSA-N 497.621 2.216 30 10 JEEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1CCSC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1740623954 AKGZCURDVHFURI-MRXNPFEDSA-N 498.556 2.396 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(F)ccc2Br)n1CCS(=O)(=O)N(C)C 1740647783 UVYNZQDWGXXGKU-UHFFFAOYSA-N 482.379 2.201 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCc2nccs2)CC1 1740689890 KADVCKVCTDLTMX-UHFFFAOYSA-N 470.002 2.316 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCCN(C)S(=O)(=O)CC)CC1 1740691566 IUWXVUGILSTZKI-UHFFFAOYSA-N 465.023 2.025 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](C(C)C)N2CCCC2)CC1 1740707020 LRGYXOUNZCNCFP-QHCPKHFHSA-N 463.630 2.350 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1740954293 HUWUXOVRSKIKOV-FQEVSTJZSA-N 459.558 2.244 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C2CC2)C1 1740959583 AILNPPASLKLVPG-CEXWTWQISA-N 474.606 2.214 30 10 JEEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN(CC)[C@@H](C)C1 1740960444 RONPYAQFZWUUPI-SFHVURJKSA-N 475.638 2.225 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1740989921 BWKASAGQSWACOQ-QGZVFWFLSA-N 491.618 2.172 30 10 JEEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2nc(O)c3ccccc3n2)CC1 1740995439 MBVKUVSJEADGIX-UHFFFAOYSA-N 496.641 2.307 30 10 JEEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)CN2CCCC2)CC1 1741055146 FHXWYYNDWMVHCU-IBGZPJMESA-N 451.575 2.129 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC[C@@H]1CCO[C@H](C)C1 1741674499 DRBAOPXBFWXPKC-RTBURBONSA-N 466.590 2.215 30 10 JEEE C#CCCCn1c(COc2cc(C)ccc2C)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1748759732 NVXCJURPZXRIPW-UHFFFAOYSA-N 478.597 2.158 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC(=O)NCCC)[C@@H]1CCS(=O)(=O)C1 1748805357 QLJWZNJNGJJOBO-SJLPKXTDSA-N 494.017 2.224 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CCS(=O)(=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1748807747 CFJPDFFMSSOTDO-FQEVSTJZSA-N 492.667 2.348 30 10 JEEE C#CCN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H]1CC(=O)N(CCOC)C1 1748926901 XYRQGGXZOJTRGN-LJQANCHMSA-N 488.633 2.347 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnccn2)n1C[C@H]1CCCS(=O)(=O)C1 1748944065 KRAWVWAUWDKCLQ-GOSISDBHSA-N 454.531 2.339 30 10 JEEE COc1ccncc1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1749120402 CODOATATGVQLJI-UHFFFAOYSA-N 478.532 2.206 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N(C)CC(=O)NC(C)C 1749658365 JWSVJKGIEXIHRU-UHFFFAOYSA-N 455.382 2.032 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC2(O)CCS(=O)(=O)CC2)C1 1749699503 AHXWEPIKALQYQA-KRWDZBQOSA-N 497.017 2.328 30 10 JEEE CC(C)CC(=O)Nc1cccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)c1 1750691920 BBSOFOUYRPVUOC-AOMKIAJQSA-N 491.593 2.363 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC[S@](=O)C(C)(C)C 1760216486 PHQMYFREFXRJQL-XIFFEERXSA-N 464.595 2.202 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1c(C)nn(-c2ccccc2)c1C 1760218800 NMTKNRXHLAWVNG-NRFANRHFSA-N 476.606 2.494 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(OC)cc2OC)n1C[C@H]1CCCCS1(=O)=O 1760245613 JPNASIBWNYFXMC-GOSISDBHSA-N 462.572 2.016 30 10 JEEE C#CCN1CCN(c2nnc(COCC)n2Cc2ccc(I)cc2)CC1 1760263959 WBMOEOLVCZMFNR-UHFFFAOYSA-N 465.339 2.223 30 10 JEEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)c1ccccc1 1760281554 OIXDLZIXVMXBLM-MJGOQNOKSA-N 463.629 2.175 30 10 JEEE C#CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1760281900 RSHDBHKLQXRABK-LPHOPBHVSA-N 462.597 2.170 30 10 JEEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1760516596 RDHRERUPMJEGMY-ZTCOLXNVSA-N 493.656 2.111 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCC(N(C)C(=O)OCC)CC1 1760525246 YWGCLWBJBCJAFY-UHFFFAOYSA-N 470.574 2.237 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@H]1CCC=CO1 1764173307 DXDWTOORPOSBIA-FQEVSTJZSA-N 464.574 2.482 30 10 JEEE COC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCS(=O)(=O)C2)C1 1767869043 HVNBWAXHCHRFLH-IEBWSBKVSA-N 457.556 2.031 30 10 JEEE COc1ccncc1Cn1c(C(=O)NC(C)C)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1770548146 GYWGXSDGXAQCPS-UHFFFAOYSA-N 488.596 2.452 30 10 JEEE C#CCN(CC#CC)c1nnc(COc2ccc(Cl)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1772516288 CNLAKIRNIYGUGP-GOSISDBHSA-N 476.002 2.255 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2nccnc2C)CC1 1772660295 QYIUFGIPQWIPEB-UHFFFAOYSA-N 489.005 2.019 30 10 JEEE C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)CCC(=O)O 1776009089 IEKLVCVEJCEIJD-VVOKHRGISA-N 492.540 2.311 30 10 JEEE CCN(C(=O)c1nc(C(=O)Nc2ccc(C#N)cc2)c2ccccn12)[C@@H]1CCS(=O)(=O)C1 1858245065 QOJAWFRSXPQNAF-QGZVFWFLSA-N 451.508 2.107 30 10 JEEE CCCC[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(CC(=O)O)C2=O)C(=O)N[C@@H](C#N)c1ccc(C)cc1 1867648561 FPOFGGYMNHIJOH-RTWAWAEBSA-N 490.516 2.345 30 10 JEEE O=C([C@@H](Cc1c[nH]c2ccccc12)N=C1NS(=O)(=O)c2ccccc21)N1CCC(CO)CC1 1869928062 ORFHEWZVQUKZMB-OAQYLSRUSA-N 466.563 2.049 30 10 JEEE C=CCN1C(=O)C(NCc2ccc(S(N)(=O)=O)cc2)=C(c2ccccc2Br)C1=O 1873069326 ZUSRSLMFSJNKOL-UHFFFAOYSA-N 476.352 2.152 30 10 JEEE CCOC(=O)c1ccc(CSc2nnc(CNC(C)=O)n2/N=C/c2ccc(O)cc2O)o1 1874433678 SGRZTBWFRXWHJW-LSFURLLWSA-N 459.484 2.270 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2124539715 YQHXLECASIREJO-YOEHRIQHSA-N 450.316 2.434 30 10 JEEE CO[C@@H](C(=O)NCc1cccc(B2OC(C)(C)C(C)(C)O2)c1)C1CN(C(=O)OC(C)(C)C)C1 2180983505 DCDCHBOQJJNAOU-LJQANCHMSA-N 460.380 2.484 30 10 JEEE CO[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2187895703 RLVAVVCBDBJOAT-HOTGVXAUSA-N 462.356 2.129 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC1(F)CN(C(=O)OC(C)(C)C)C1 2255615453 RRIJBSHNLKTXKI-UHFFFAOYSA-N 455.361 2.440 30 10 JEEE CC(C)(C)OC(=O)N[C@]1(C(=O)O)CCN(c2nccc(B3OC(C)(C)C(C)(C)O3)c2F)C1 2266056824 IKENDBILTMZDTL-OAQYLSRUSA-N 451.304 2.078 30 10 JEEE Cc1csc(C(=O)N[C@H](C)C2(O)CN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267154300 HFFSHLSLDVJFSI-CQSZACIVSA-N 466.409 2.456 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@H](NC(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)s3)[C@H]2C1 2267286791 RCBJTFXGAOQQBQ-ILXRZTDVSA-N 464.393 2.411 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)CC[C@@H]1CO 2267484233 FYWHFOMDOYGTJQ-RHSMWYFYSA-N 466.409 2.395 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2[C@H]1NC(=O)c1csc(B2OC(C)(C)C(C)(C)O2)c1 2267562000 WZJBSTPXGAGZIV-ORQFMDKSSA-N 464.393 2.458 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@H]1C[C@@H]1NC(=O)OC(C)(C)C 2267707023 JSKDKPBGGXIQQO-WBVHZDCISA-N 466.409 2.486 30 10 JEEE COC(=O)[C@@H](CCNc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F)NC(=O)OC(C)(C)C 2268995029 ZPYBPELVFNHLOW-OAHLLOKOSA-N 453.320 2.388 30 10 JEEE CC(C)(C)OC(=O)N1CCN(CCOc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)CC1 2269069442 BXTDQAVIQRFYEU-UHFFFAOYSA-N 451.348 2.451 30 10 JEEE Cn1cc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC3(CC3)C2)nc1B1OC(C)(C)C(C)(C)O1 2282551618 FEWBHPCNCWVMKO-HNNXBMFYSA-N 460.384 2.239 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H]3CCN(C(=O)OC(C)(C)C)[C@H]3C2)n1 2282600174 SQKQTIGPWORDRC-RDJZCZTQSA-N 460.384 2.284 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](CO)[C@H](NC(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2282654192 IRFSHRQFVPNFRC-QFBILLFUSA-N 460.380 2.334 30 10 JEEE COc1ccc(S(=O)(=O)N2CC[C@@H]2CNC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2282882312 JVVKTPBAUJCPMR-OAHLLOKOSA-N 482.408 2.282 30 10 JEEE CC(C)(C)OC(=O)NCC1(F)CC(CNC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2283071328 CYJRMVKEXKTLPE-UHFFFAOYSA-N 464.347 2.149 30 10 JEEE COc1ccc([C@@H]2C(=C(O)c3cccc([N+](=O)[O-])c3)C(=O)C(=O)N2CCOCCO)cc1OC 2296167156 ZKGOTAYPRYZNQW-HXUWFJFHSA-N 472.450 2.043 30 10 JEEE CN(C)CCCN1C(=O)C(=O)C(=C(O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@H]1c1ccc(F)cc1 2297747343 RLAHQDJIXHUVKT-OAQYLSRUSA-N 489.569 2.449 30 10 JEEE CCOc1cc(C=Nn2c(SCC(N)=O)nnc2[C@H]2CC(=O)N(Cc3ccccc3)C2)ccc1O 2325918401 PMQXTCGSCIJWSD-SFHVURJKSA-N 494.577 2.358 30 10 JEEE CC(C)N1C[C@H](c2nnc(SCC(N)=O)n2N=Cc2cccc(Br)c2)CC1=O 2329018194 WRNQWOPPYXLWPA-CYBMUJFWSA-N 465.377 2.225 30 10 JEEE COc1nc(OC[C@H]2CN(C(=O)OC(C)(C)C)CCO2)ccc1B1OC(C)(C)C(C)(C)O1 2339826150 UIGFDIZJCXKRFN-OAHLLOKOSA-N 450.341 2.404 30 10 JEEE Cn1cnc(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 2362356578 RTOGSYOJESMGEX-MUJYYYPQSA-N 460.384 2.380 30 10 JEEE COc1ccc(NC(=O)[C@]2(NC(=O)OC(C)(C)C)C[C@@H](O)C2)cc1B1OC(C)(C)C(C)(C)O1 2365291265 BOWWOSWXMWSVOY-GUJKFWMDSA-N 462.352 2.351 30 10 JEEE COc1cc(NC(=O)CCSc2nnc(N/N=C/c3cnn(C(C)C)c3)n2N)cc(OC)c1 20921700 AIYLDAZDJDQAPI-LSHDLFTRSA-N 473.563 2.353 30 10 JEEE C=CCOc1c(I)cc(/C=N\N=C2/NC(=O)[C@@H](CC(=O)O)S2)cc1OC 33432255 AIIJGUBQXMXVDS-DREQZYJFSA-N 489.291 2.261 30 10 JEEE CCOCCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CC)c2N2CCN(C)CC2)SC1=S 33467688 VUXFWAUGMAZLBX-RGEXLXHISA-N 489.667 2.428 30 10 JEEE COCCn1cc(/C=N/Nc2nc(SCC(=O)N[C@H]3CCCc4ccccc43)n[nH]2)cn1 59887374 XEKQWOYAUWPWJO-QPHXDFOYSA-N 454.560 2.380 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](Sc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 204864014 HKPBKBKNZZUJJN-HOCLYGCPSA-N 478.424 2.382 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)O[C@H](C(=O)N3CCC(C(=O)OC)CC3)C(C)C)cc2C1=O 876537690 ZNURUFKTSRIHMV-IBGZPJMESA-N 456.495 2.062 30 10 JEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCOC[C@H]1c1nc2ccccc2s1 1155170028 CICAMJRAOSHQDI-KSSFIOAISA-N 456.549 2.435 30 10 JEEE COC(=O)[C@@H](NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)c1cccc2ccccc12 1155490698 IFQBOIRSNYPMJK-NRFANRHFSA-N 451.504 2.299 30 10 JEEE C#CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(CC(=O)NC(C)C)CC1 1286345626 OZKJDPDOFNINGT-UHFFFAOYSA-N 454.575 2.022 30 10 JEEE C#CCN(c1nnc(-c2c[nH]c3ccccc23)n1CC(C)(C)C(=O)NCC)[C@@H]1CCS(=O)(=O)C1 1286389915 SPTZNWAOJKFUBW-QGZVFWFLSA-N 482.610 2.215 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCC1CCC(OC)CC1)[C@H]1CCS(=O)(=O)C1 1286397280 YSIWPJXYARBABB-YZDRJCRTSA-N 464.632 2.394 30 10 JEEE C#CCN(CCOC)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc2c(c1)OCCO2 1286457974 ZBYGXXKSBVCVEQ-XMMPIXPASA-N 456.543 2.224 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2CC2(C(N)=O)CCOCC2)CC1 1286474695 OUMOEYMCMREYHK-UHFFFAOYSA-N 494.640 2.407 30 10 JEEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@H]2CCCCS2(=O)=O)CC1 1286484310 IFWRNLMDJGRERK-JOCHJYFZSA-N 471.627 2.196 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(OC)cc2F)CC1 1286485114 UZRJIMSDLNMGTJ-UHFFFAOYSA-N 468.558 2.221 30 10 JEEE C#CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@H](C(=O)OC)C1 1286503565 BZKUNIOTJUPANM-HNNXBMFYSA-N 452.540 2.350 30 10 JEEE C=C(Cl)Cn1c(-c2cc(Br)cn2C)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1286623083 VHXIVAIIHYOIKN-CYBMUJFWSA-N 454.760 2.355 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC(NC(=O)C2CC2)CC1 1286791748 BKLWOAHUIKKTTH-UHFFFAOYSA-N 466.586 2.271 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(Cc2cscn2)CC1 1286791854 FJOJHPXAQCTSBF-UHFFFAOYSA-N 471.562 2.077 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)NC(CC)CC)nnc1N1CC(=O)N(C)C[C@H]1C 1286796875 PAKZJSRKOPVKOW-QGZVFWFLSA-N 454.575 2.477 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@](C)(O)C2CCCCC2)C1 1286810338 PRODZCASFOKUFB-LRXVAGHRSA-N 452.621 2.293 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H]1c1nncn1C 1286816915 NXUMTIGLEDHVMV-HNNXBMFYSA-N 462.967 2.064 30 10 JEEE CC(C)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1287216433 FGIOUOPCMAHWPN-GOSISDBHSA-N 475.594 2.020 30 10 JEEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCn2cncn2)C[C@@H]1NC(=O)OC(C)(C)C 1291217627 FOTIEIXGHXSEEK-LPHOPBHVSA-N 463.546 2.458 30 10 JEEE CCN(CC)C[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1295505635 GRSPNQOAGCJAHG-NHCUHLMSSA-N 485.658 2.266 30 10 JEEE C#CCN(C)c1nnc(-c2cc(OC)cc(OC)c2)n1CC1(NC(=O)OC(C)(C)C)COC1 1300439381 CUQMXZQNQJVPDY-UHFFFAOYSA-N 457.531 2.325 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1CCc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1300488547 SMZRETLZWOICST-IBGZPJMESA-N 453.568 2.162 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1CC(O)(CC)CC)[C@@H]1CCS(=O)(=O)C1 1300490051 YDAWWQUYBRQVAN-QGZVFWFLSA-N 476.599 2.140 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1CCCN(C)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1300495147 DKTLOCYOFDVVDV-PZJWPPBQSA-N 463.648 2.063 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@](C)(O)c1ccco1)[C@H]1CCS(=O)(=O)C1 1300498061 GJKYOHOIEHVJIM-HJPURHCSSA-N 490.532 2.275 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@](C)(O)c1ccsc1 1300517122 YEIQHWOVYCBFAK-JOCHJYFZSA-N 454.577 2.391 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC2([S@](C)=O)CC2)CC1 1300717030 VWOUQDILVJVZTG-UMSFTDKQSA-N 491.564 2.423 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC1CCN(CC)CC1 1300915537 ODVNQYIRGVPKRW-FQEVSTJZSA-N 468.668 2.135 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCSCC1 1301363472 UGOOXUMLJJLGKK-KRWDZBQOSA-N 467.686 2.483 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](C(=O)NCCCC)C1 1301493454 ZEWAFJZFFDFWJY-KRWDZBQOSA-N 459.982 2.428 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1301577692 NSJBTOMBPPQLCI-IBGZPJMESA-N 491.614 2.276 30 10 JEEE COCCN1C[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@@H]2CCSC2)CC1=O 1316119776 AGMVWDGQPUIMSA-RBUKOAKNSA-N 470.599 2.165 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCc1nc(C)c(C)s1)[C@@H]1CCS(=O)(=O)C1 1358961548 ASXZKZBMIXLOHW-MSOLQXFVSA-N 463.629 2.462 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCOC[C@@H]1CCOC1 1358979013 AGUWEEALGHDVFZ-LEWJYISDSA-N 487.601 2.103 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H](c1ccc(C)o1)N1CCOCC1 1358985752 GRFPQHWUKZQBJH-ATIYNZHBSA-N 481.597 2.368 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1nncn1CC 1358998436 FFOQEWVIVWBLII-HDICACEKSA-N 452.563 2.171 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H](F)COC)CC1 1359047560 LHJBUGSEWMFUGB-GOSISDBHSA-N 463.941 2.461 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCc1noc(CC)n1 1359066257 UGMHHGUTYAQHHM-HSZRJFAPSA-N 483.598 2.376 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(C)CC1 1359099212 LFOCFGJKZYPEFK-OTWHNJEPSA-N 467.636 2.219 30 10 JEEE C=C(Cn1c(Cc2cccnc2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1)c1ccccc1 1359139775 CZNGTDNIJVTDKA-NRFANRHFSA-N 452.584 2.495 30 10 JEEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(C)CN(C2CC2)C1=O 1359241033 CXJICQZIUVGEKQ-GAJHUEQPSA-N 460.579 2.220 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(C(N)=O)CCCC1 1359254980 KGLVLPXUSWJZOI-LJQANCHMSA-N 487.626 2.427 30 10 JEEE N#Cc1ccsc1N1CC[C@@H](N2CCC([C@@H]3OCC[C@H]3NC(=O)C(F)(F)F)CC2)C1=O 1460139392 GEWZVTIKIRPRSU-OAGGEKHMSA-N 456.490 2.273 30 10 JEEE CC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)C1)NC(=O)OC(C)(C)C 1497208543 AYSGHXDHZMFUJU-GOSISDBHSA-N 453.547 2.398 30 10 JEEE COCCN1C[C@@H](Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)[C@H](C)CC#N)CC1=O 1504901701 GOQZOJIPORBVEA-KGLIPLIRSA-N 464.368 2.269 30 10 JEEE C#CCCCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)Cc2cccc(OC)c2)CC1 1507562869 ANTTVPMTYXZLAD-OAQYLSRUSA-N 451.571 2.485 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1507624573 BOLDNMPFEGBFPB-SFHVURJKSA-N 489.598 2.105 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1cc(F)ccc1OC)[C@@H]1CCS(=O)(=O)C1 1507634104 IYQLRLAUFWANNS-HXUWFJFHSA-N 469.542 2.087 30 10 JEEE C#CCN1CCN(c2nnc(Cc3cn4ccccc4n3)n2C[C@H](C)CNC(=O)OC(C)(C)C)CC1 1507724447 PRRRDDYAQWBMGM-HXUWFJFHSA-N 492.628 2.433 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCCOCC(C)C)CC1 1507729324 GVGZTBNVLFYBAC-NRFANRHFSA-N 490.649 2.404 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H]2CCC[C@@H](O)C2)CC1 1507740368 RNJKIUIHXJQCOW-FXAWDEMLSA-N 456.616 2.151 30 10 JEEE C=C(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCCN(S(C)(=O)=O)CC1 1507832198 SHADDTWIBBKKHK-UHFFFAOYSA-N 482.651 2.440 30 10 JEEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 1507936906 KYFZIFMTMWXBQE-PMACEKPBSA-N 459.639 2.199 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1508071988 AJDIUFZBMYBLHK-WMZOPIPTSA-N 474.993 2.268 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1508076051 ZIHYKMMOTLZYGJ-XMMPIXPASA-N 471.558 2.039 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@@H](CC(N)=O)C1 1508139595 HRNBQIXECKNEJD-INIZCTEOSA-N 456.572 2.119 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1(N2CCOCC2)CC1 1509937221 AOOVALDRTRILEF-KRWDZBQOSA-N 471.993 2.465 30 10 JEEE C[C@H](CC#N)N(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc2c(c1)C(=O)NCC2 1509945264 BYWDJKVVPXWQNB-OAHLLOKOSA-N 463.567 2.342 30 10 JEEE COc1ccccc1SCc1nnc(N2CCO[C@@H](C#N)C2)n1CC1(N(C)C)CCOCC1 1518532204 IDFBQDQUHNCZBI-SFHVURJKSA-N 472.615 2.419 30 10 JEEE COCCn1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(CNC(C)=O)CC2)cn1 1519183137 HAPBISOBLSSIMG-UHFFFAOYSA-N 462.558 2.060 30 10 JEEE C#CCn1ccc(CN(CCOC)C(=O)COc2cccc(I)c2)n1 1525223831 HMZQNKNOKYXQGN-UHFFFAOYSA-N 453.280 2.175 30 10 JEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(N2CCCNC2=O)CC1 1539101928 MQKOFFNFGNJDNI-UHFFFAOYSA-N 470.599 2.146 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCc1ccccc1OC)[C@H]1CCS(=O)(=O)C1 1539221593 QIRHVOYOLXDFPJ-PZJWPPBQSA-N 458.584 2.398 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCOc1cc(C)cc(C)c1)[C@H]1CCS(=O)(=O)C1 1539229315 BLVMHHCGWVFIRJ-QFIPXVFZSA-N 496.637 2.462 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CCc1nccs1)[C@H]1CCS(=O)(=O)C1 1539229703 HIXQEGCJIJAVPR-SFHVURJKSA-N 482.591 2.055 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1Cc1cccnc1OCCOC 1539266030 LJLRVQVEAABOKP-QFIPXVFZSA-N 459.506 2.332 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1C[C@H](F)CN1Cc1cccs1 1539318333 PJECYUUMWYXVOT-BJLQDIEVSA-N 454.575 2.366 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H]1CCc2ccccc21 1539326113 RZGUNPDKLDVLTM-GGAORHGYSA-N 481.622 2.194 30 10 JEEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CCCCn2cc(Br)cn2)CC1 1539453402 JZJIPIDAWYBJGD-UHFFFAOYSA-N 483.418 2.459 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC(F)(F)CO2)CC1 1539488571 MDNYZFNJJFBVNL-FQEVSTJZSA-N 484.507 2.119 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)OCCOC)n1Cc1ccccc1S(=O)(=O)N(C)C 1539538103 CGIPBXGFGMGRFW-FDDCHVKYSA-N 475.615 2.293 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)NC(=O)OC(C)(C)C 1539556668 GGWRQFNRKKPXSY-KSFYIVLOSA-N 465.620 2.476 30 10 JEEE C=C(C)COCCn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1539759695 WQPPUJCHQFRFTF-OAQYLSRUSA-N 473.549 2.417 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(Cc2cnc(C)s2)CC1 1540869761 VVTBQJGFRXEVIA-UHFFFAOYSA-N 452.588 2.038 30 10 JEEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 1540874210 YEUDUZVRUBRUCL-JOCHJYFZSA-N 452.603 2.169 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@](C)(C(=O)NC)C1 1540875554 PMJNJECHZXOITB-NRFANRHFSA-N 481.384 2.429 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1540893548 FOSITHGAYWDZPJ-AZUAARDMSA-N 463.579 2.071 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1540896373 KWOLNAXOHZOSQX-UAFMIMERSA-N 481.663 2.402 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC(OC[C@H]2CCCCO2)CC1 1540908157 QPUSANYAXKEPIO-WOJBJXKFSA-N 468.620 2.285 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 1540908227 SEGPQACQHQUHEF-DLBZAZTESA-N 469.608 2.081 30 10 JEEE COc1ccccc1N1CC[C@H](NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1=O 1544472238 FJWLPCNAKRCPNY-YJBOKZPZSA-N 452.898 2.495 30 10 JEEE CCN1CCN([C@@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(CC)[C@H](C)C2)CC1 1547700264 HVJQNKIEENOWGN-RTWAWAEBSA-N 450.635 2.373 30 10 JEEE C#C[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(F)cc1)C1CCOCC1 1557578428 LOIVXWJJNHVTJL-GOTSBHOMSA-N 456.539 2.486 30 10 JEEE C#C[C@H](NC(=O)[C@@H]1CN(C)C(=O)CN1C(=O)OC(C)(C)C)c1ccc(Br)cc1 1583571293 WSQJHZRZFHVTII-HOTGVXAUSA-N 450.333 2.317 30 10 JEEE C#CCCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1587706622 RSEVUXNJZCIPAS-NRFANRHFSA-N 498.603 2.342 30 10 JEEE C#CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1587847366 KRIPNUFEMLFRAI-GOSISDBHSA-N 497.625 2.167 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1CCc1cccc(F)c1F)[C@H]1CCS(=O)(=O)C1 1588045203 HCFXLUJCUFBLTB-KRWDZBQOSA-N 457.506 2.488 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2ccccc2F)n1CCNS(=O)(=O)c1ccc(C)s1 1588149652 ZQGHIRVXEJXBHX-UHFFFAOYSA-N 471.583 2.429 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2CCCN2C[C@H](C)O[C@H](C)C2)CC1 1588780972 ZHBOPKQMPOJMCX-OYRHEFFESA-N 452.603 2.208 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H](C)COC)CC1 1588812197 QOSCDHFYEJZZSZ-PMACEKPBSA-N 460.623 2.430 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cn(C)c4ccccc34)n2CC[S@](=O)CC)CC1 1588913223 CTPRCQPIAVOTBQ-MGBGTMOVSA-N 466.611 2.171 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1589242485 BKKNQQOMKPBLDL-UQBPGWFLSA-N 497.669 2.204 30 10 JEEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1593758380 YGAKAIMRWRMIAE-IBGZPJMESA-N 459.558 2.233 30 10 JEEE C=C(Cl)Cn1c(C(C)C)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1593808081 OAFKIVKRTCNNMI-KFWWJZLASA-N 460.000 2.281 30 10 JEEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCOc1ccc(F)cc1 1593884172 DISQGZUJOZGONK-QGZVFWFLSA-N 473.958 2.018 30 10 JEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1oc2ccc(F)cc2c1C 1594963043 PAFVUDDSVITARA-LJQANCHMSA-N 463.535 2.475 30 10 JEEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(O)CC(OCC)C1 1594963501 UEIRGYFRIMSTIK-JQHMZKTJSA-N 451.568 2.139 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCCCC2)nc1 1595302875 FXFSDVZQHZUKRR-HXUWFJFHSA-N 474.631 2.253 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCN(C2CCCCC2)C(=O)C1 1595556337 SCZJHOGYWMGNBN-UHFFFAOYSA-N 450.587 2.461 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2nc3c(s2)C[C@H](C)CC3)C1 1595673941 LRWXFEOHVFRFSQ-BZUAXINKSA-N 480.660 2.299 30 10 JEEE C=CCSCCn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1595900712 HKMWXAHLZFCEOP-UHFFFAOYSA-N 490.605 2.089 30 10 JEEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCN(CC(F)(F)F)C2)CC1 1596249573 DHSMORWSDQRTFG-IBGZPJMESA-N 491.518 2.281 30 10 JEEE COC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(S(C)(=O)=O)CCC2)C[C@H](C)O1 1619736552 DPVLJSMQLKLAHL-QFBILLFUSA-N 459.572 2.024 30 10 JEEE C=CCC1(NC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CCCC1 1629426564 CMRFWIZANNUMBP-UHFFFAOYSA-N 451.564 2.444 30 10 JEEE C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 1666604425 RMAQZZNLLLDONT-LLVKDONJSA-N 453.336 2.030 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1cccn(CC)c1=O 1689848517 WQUGRJOXUITKLX-QGZVFWFLSA-N 457.538 2.363 30 10 JEEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1[C@@H]1C[C@H]1CCC)[C@@H]1CCS(=O)(=O)C1 1689982603 QNRWJBFSEUHRBF-JPAWQOSXSA-N 450.605 2.307 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1CCCOc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1689986588 SUHSFGPRWYBZLM-FQEVSTJZSA-N 481.578 2.445 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(-n2nc(C)cc2C)nc1 1690029456 CDDHNTSTBITVNB-UHFFFAOYSA-N 456.554 2.223 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1Cc1ccnc(OC2CCOCC2)c1 1690102737 UATFTMKMFOEJFD-FQEVSTJZSA-N 455.559 2.259 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2C[C@H](C)O[C@H](C)C2)CC1 1690115260 YWLTZDZEONJWAX-ACDBMABISA-N 471.627 2.307 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1690137753 HYDKADBXLHRYQW-UTKZUKDTSA-N 496.587 2.438 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC[C@@H]2COCCO2)CC1 1690139339 IMVJDXDXMLYDNY-HXUWFJFHSA-N 457.962 2.370 30 10 JEEE C#CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCOC[C@@H]1C 1690175382 VTFUTJXMQVWTEM-IRXDYDNUSA-N 451.593 2.178 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2ccccc2)C1 1690238002 DIJMXHFLYBTGGU-KCLUMXDGSA-N 475.615 2.447 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccsc1 1690245690 LUUYEYBVVVKRCZ-FHWLQOOXSA-N 481.644 2.290 30 10 JEEE C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1690277192 HSEAIDCGBQAZCR-UHFFFAOYSA-N 450.385 2.258 30 10 JEEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 1690301055 NXINIMQJKOJVLR-KBXCAEBGSA-N 483.557 2.011 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1690313275 PIFWFXOSZGZOBC-FDFHNCONSA-N 474.650 2.001 30 10 JEEE C=CCC(C)(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@H](C(N)=O)C1 1690422061 BXCNZRHJGOBROW-SFHVURJKSA-N 474.631 2.499 30 10 JEEE C=CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1690642552 VJKWKCLBCPZXKD-RTBURBONSA-N 487.649 2.368 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)CCc1nccs1 1690668792 JHKMZXDICHLQBZ-UHFFFAOYSA-N 478.582 2.113 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1690719989 XGPRXGSSNFQSGF-UHFFFAOYSA-N 485.566 2.115 30 10 JEEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(Cc2ccc(OC)cc2)C(=O)C1 1690742560 URDRZQUVPPUFSX-FQEVSTJZSA-N 484.626 2.396 30 10 JEEE CCCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1695442451 BIUARNDLIHLGQZ-UHFFFAOYSA-N 478.532 2.116 30 10 JEEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(C)(C)CC)[C@@H]1CCS(=O)(=O)C1 1705560823 KWGJFGXQUCJZRG-GOSISDBHSA-N 478.640 2.412 30 10 JEEE C#CCN(c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H](CC)OC)[C@@H]1CCS(=O)(=O)C1 1705567632 ZJOMZRPSBQMDPX-RTWAWAEBSA-N 468.583 2.183 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@H](C1CC1)N(C)C 1705580422 IXWTYNDBRCBNIR-QFIPXVFZSA-N 457.582 2.478 30 10 JEEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1705601517 MDBNAQJPFQZNIS-CYFREDJKSA-N 467.595 2.461 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCc2nccc(C(F)(F)F)n2)CC1 1705648727 XGJOWYJYAXJNDL-QGZVFWFLSA-N 491.518 2.189 30 10 JEEE C=C(Br)Cn1c(-c2ccc[nH]2)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1705686520 APIXFZSLLXRTFK-AWEZNQCLSA-N 458.382 2.212 30 10 JEEE C=CC[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)COC)CC1)c1ccccc1 1705795085 BWEUGBNMGIBJNA-NRFANRHFSA-N 466.586 2.169 30 10 JEEE C=CCCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1705820166 DCQZRGKIEUOTDI-UHFFFAOYSA-N 474.556 2.094 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1705898136 BQXGDHJQAAQCSV-INIZCTEOSA-N 460.966 2.214 30 10 JEEE CCO[C@]1(c2nnc(N(C)Cc3cccc(C#N)c3)n2C[C@H]2CCCS(=O)(=O)C2)CCOC1 1710427022 ICUOWWMNJGHXRK-NFBKMPQASA-N 473.599 2.263 30 10 JEEE CS(=O)(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)c2cccs2)C1 1712688678 AIHLPWUCWOPCSX-GOSISDBHSA-N 484.607 2.322 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1CCN1CCN(C(C)=O)CC1 1722283787 WXRAOUNKOXZXIO-AWEZNQCLSA-N 465.421 2.391 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Br)n1CCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1722364409 ZNASJVIFQUFEJC-KRWDZBQOSA-N 492.443 2.430 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(C(=O)NCCC)c1 1722370466 LGHVYJLZNNTELR-UHFFFAOYSA-N 455.522 2.186 30 10 JEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1(CCOC)CC1 1722376386 NHARSHFXTZBJOU-UHFFFAOYSA-N 454.600 2.436 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](C)N(C)C1CC1 1722382516 ALDMRQMQMHCKRC-AZUAARDMSA-N 456.591 2.142 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1Cc1cc2c(cc1OC(F)F)OCO2 1722429055 MRBLGHOMRVOPPL-CQSZACIVSA-N 450.442 2.246 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CCS(=O)(=O)C(C)(C)C)CC1 1722435970 TWVINFVJFJTAKR-UHFFFAOYSA-N 489.642 2.321 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(NC(=O)OC)c1 1722466607 ARBMRBGULJBHFK-YCRPNKLZSA-N 460.560 2.107 30 10 JEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1c[nH]c2ccc(F)cc12 1722640865 SVJWLGOMLFERGD-LJQANCHMSA-N 462.551 2.096 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1snnc1C 1722655702 PUGINJPIUHRNGW-OAHLLOKOSA-N 472.600 2.161 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCCOC2)n1CC(=O)N1CCOCC1 1722657308 XOMLQAQFOBCVQA-OAQYLSRUSA-N 450.543 2.095 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCCO2)n1C[C@]1(O)CCS(=O)(=O)C1 1722660102 LTOHVSIAATWRLB-DENIHFKCSA-N 464.563 2.401 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(CC2CCOCC2)CC1 1722695596 IZYVTGRJJPBFSX-UHFFFAOYSA-N 458.994 2.449 30 10 JEEE C=CCOc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CCN(CC(F)F)CC2)cc1 1722705106 VGRJPSMZTKPZSE-UHFFFAOYSA-N 460.529 2.401 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1722736809 JIUJURBMSJQAHW-QXSJWSMHSA-N 466.526 2.238 30 10 JEEE CC(C)C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1723358184 AIGUZIYRHALOSH-WMZHIEFXSA-N 473.599 2.151 30 10 JEEE CCC[C@@H](C)C(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](C#N)C1 1727930221 GBNFOLJBLYFJNM-YLJYHZDGSA-N 451.531 2.010 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(N2CCC(OC)CC2)CCCC1 1740551813 MBQLARSRPSYNDC-RTBURBONSA-N 463.648 2.062 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCN(CC)C(C)C)[C@H]1CCS(=O)(=O)C1 1740619319 NIVIVYTVIOONKI-KRWDZBQOSA-N 497.463 2.393 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC1(SC)CCN(C)CC1)[C@@H]1CCS(=O)(=O)C1 1740623014 MVECUHVKOUWJGT-LJQANCHMSA-N 488.683 2.103 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1sc(C)nc1C)[C@@H]1CCS(=O)(=O)C1 1740627072 XOFYVOGBUOPLIR-GOSISDBHSA-N 456.597 2.012 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCC(=O)N(CC)CC)CC1 1740693042 SIVQEQATTBLHIB-UHFFFAOYSA-N 476.423 2.440 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)ccc3Br)n2CCC(=O)NCCC)CC1 1740697497 GULZEQXQQUDLBG-UHFFFAOYSA-N 489.418 2.388 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2Cc2ccc3c(c2)COCC3)CC1 1740701855 DUUFPWAAVWAIEN-IBGZPJMESA-N 481.597 2.089 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2Cc2ncnn2-c2ccccc2)CC1 1740705824 MYVQDYARZWIUGP-UHFFFAOYSA-N 460.586 2.462 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@](C)(O)[C@@H](C)CC)CC1 1740708064 AQLRPKGIRWFWCH-BXKMTCNYSA-N 486.642 2.033 30 10 JEEE C#CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@]2(CCOC2)C1 1740708860 DEEICQSIVGLENQ-JOCHJYFZSA-N 476.002 2.224 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1740709170 BVOQLLHIFJXWAW-JTSKRJEESA-N 456.572 2.066 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(F)(F)C1(OC)CCOCC1 1740774760 ZYPJLZYXNOXKDM-INIZCTEOSA-N 462.563 2.414 30 10 JEEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)OCC(C)C)CC1 1740844357 YRCLDIBOASIWSY-KRWDZBQOSA-N 470.640 2.405 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC(=O)N(C)[C@@H](C)C1 1740986867 JRCCDMIOCPIBNX-PKOBYXMFSA-N 475.615 2.303 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cn(C)c3ccccc23)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1740990791 ZWWKYSBJKJNSFE-QGZVFWFLSA-N 491.639 2.051 30 10 JEEE CCN1C[C@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(OC)CCOC2)C[C@H]1C 1746382805 AMDCRJIZEBKSSE-YDIMBITNSA-N 454.575 2.453 30 10 JEEE CN(C(=O)OC(C)(C)C)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nncn2C)C1 1747521121 CHNOOSQESHOTRG-GOSISDBHSA-N 463.546 2.439 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CCc2scnc2C)c1 1748690132 MROXCAWWIRSXQG-UHFFFAOYSA-N 465.583 2.480 30 10 JEEE C#CCCCCn1c(N2CCN(C(=O)N3CCCCC3)CC2)nnc1[C@]1(OCC)CCOC1 1748730891 QRMFQJHQNRAYBZ-DEOSSOPVSA-N 458.607 2.462 30 10 JEEE C#CCN(c1nnc(COCC)n1CCC1CC(OC(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1 1748823950 GABPPADZCLEYER-XBMUEBEBSA-N 452.621 2.425 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)N1CCc2ccccc2C1 1749054265 QQNSCJDHADEBQQ-YDIMBITNSA-N 470.643 2.327 30 10 JEEE C=C(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1749183069 NBJXPQVAHOARPB-LJQANCHMSA-N 454.575 2.281 30 10 JEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1749457307 JDQHLJDIVMKHIA-CVEARBPZSA-N 466.526 2.321 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1c2ccccc2C[C@H]1C 1749575863 YIPJZVPALXHXIQ-DENIHFKCSA-N 486.642 2.241 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCC2(CC1)COC(=O)N2 1749651597 YRDVWGSOQWRCIW-QGZVFWFLSA-N 484.557 2.198 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2CCS(=O)(=O)C2)C1 1749695681 HGYAROSJADOPMC-UKRRQHHQSA-N 470.393 2.252 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCC(Cn2ccnn2)CC1 1749729090 AMQMAQNESLOQPZ-UHFFFAOYSA-N 459.551 2.193 30 10 JEEE CC(=O)N1CCN([C@@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCOC(C)C)C[C@H]2C)CC1 1749886280 YZMSBHCYNVLXFG-AUSIDOKSSA-N 465.602 2.231 30 10 JEEE C#CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1Cc1ccc(-n2cncn2)nc1 1760172246 NHQQCXAOGKMVDI-UHFFFAOYSA-N 477.573 2.486 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(F)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 1760180307 BYNCSHUTXHPAKF-JTSKRJEESA-N 496.992 2.398 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCN1CCCCCC1)[C@@H]1CCS(=O)(=O)C1 1760182053 AZNBXRXKLKNETP-LJQANCHMSA-N 477.034 2.496 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCc1nccs1)[C@H]1CCS(=O)(=O)C1 1760184760 LHPFKQIFDWNTOW-SFHVURJKSA-N 452.565 2.143 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(OCC(C)C)c1 1760233645 NIXSVFKTLWDNCP-NRFANRHFSA-N 475.615 2.154 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(O)CCCCCC1 1760247516 DOFOALYJZHVEGV-UHFFFAOYSA-N 464.570 2.363 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCc2cccs2)CC1 1760265075 NDTFLIBKWJAMHH-UHFFFAOYSA-N 463.567 2.195 30 10 JEEE C#CCSCCn1c(-c2ccccc2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1760278415 UDIXXIFWMIHQOA-FQEVSTJZSA-N 452.628 2.444 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCOC2)n1CC1(O)CCS(=O)(=O)CC1 1760480156 MWFDWVFRBBIAIE-NRFANRHFSA-N 485.610 2.176 30 10 JEEE C=CCOc1ccc(Cn2c(-c3cccnc3)nnc2N2CCN(S(C)(=O)=O)CC2)cc1 1760530811 YWANMMQRUWDPKE-UHFFFAOYSA-N 454.556 2.035 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ncccc2C#N)CC1 1760551635 MSSRHTJFPNDPCU-UHFFFAOYSA-N 488.577 2.011 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N(C)C1CCC(NC(C)=O)CC1 1760555816 OGMDIWXKDDIQLW-ACBHZAAOSA-N 453.609 2.004 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCC[C@@H](OC(C)(C)C)C2)nnc1[C@]1(OCC)CCOC1 1760558773 ZJMUKUYRVZUOFX-GCJKJVERSA-N 470.636 2.315 30 10 JEEE CN(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCNC=O)cc1 1862608930 ZIRQHLJEEXKPOU-JOCHJYFZSA-N 465.506 2.238 30 10 JEEE C=CCNC(=O)C1=C(N)Oc2c(c(CC)nn2C)[C@H]1c1cc(Br)cc(OC)c1O 1864427537 JVOVXKCQJJLMCG-CQSZACIVSA-N 463.332 2.456 30 10 JEEE C=CCn1cc(OCC(=O)Nc2sc3c(c2C#N)CCC3)c(=O)cc1CN1CCC(O)CC1 1870324451 KYTALNHIUPSRIX-UHFFFAOYSA-N 468.579 2.430 30 10 JEEE COCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1ccc(S(N)(=O)=O)cc1 1871251491 HLZUZELDFLCHBN-UHFFFAOYSA-N 468.535 2.205 30 10 JEEE C=CCn1c(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc2c(N3CCN(C(C)=O)CC3)ncnc21 1873560901 BBWPVOSOJPXYSS-UHFFFAOYSA-N 491.571 2.387 30 10 JEEE COc1ccc(N2C[C@@H](c3nnc(SCCO)n3/N=C/c3ccccc3C(=O)O)CC2=O)cc1 1874201362 YWTOLSNWYLAJQL-CBFMJHRQSA-N 481.534 2.472 30 10 JEEE COc1ccc(OCc2nnc(SCC(N)=O)n2/N=C/c2cc(OC)ccc2OC)cc1 1874292488 GFZQMLCUSLZHRH-FOKLQQMPSA-N 457.512 2.343 30 10 JEEE COC(=O)c1ccc(CSc2nnc(CNC(C)=O)n2/N=C/c2cccc(OC)c2OC)o1 1874433265 HOULEPLTYNUYKD-AUEPDCJTSA-N 473.511 2.486 30 10 JEEE CN1CCN(CC#CCOC2CCN(C(=O)c3nc4ncccc4cc3Br)CC2)CC1 1889572736 LSFNVQGHRGBBOP-UHFFFAOYSA-N 486.414 2.264 30 10 JEEE CC(C)(C)OC(=O)N[C@H](Cc1ncns1)C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 2060779145 HWVITJLZVXDHEG-ZWKOTPCHSA-N 456.572 2.210 30 10 JEEE CC(C)(C)OC(=O)N1CC(O)([C@@H](F)C(=O)N2CCC(=CB3OC(C)(C)C(C)(C)O3)CC2)C1 2124537620 ADDGMHLUDAGGOJ-INIZCTEOSA-N 454.348 2.487 30 10 JEEE CC(C)(C)OC(=O)N1CC(OCC(=O)NCc2sccc2B2OC(C)(C)C(C)(C)O2)C1 2256668669 DOTXRBSQPSAFCK-UHFFFAOYSA-N 452.382 2.299 30 10 JEEE CN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1)[C@@]1(CNC(=O)OC(C)(C)C)CCOC1 2267154773 ZORWAQZZBUEFRG-OAQYLSRUSA-N 467.397 2.198 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@](C)(CNC(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)C1 2267291729 UNCGMECPJZCASP-QFIPXVFZSA-N 450.341 2.335 30 10 JEEE Cc1cc(S(=O)(=O)NCCOCCNC(=O)OC(C)(C)C)sc1B1OC(C)(C)C(C)(C)O1 2267362646 VXYYHEYWBGCXJF-UHFFFAOYSA-N 490.453 2.175 30 10 JEEE CC1(C)OB(c2csnc2C(=O)NC[C@@]2(O)CCCN(Cc3ccccc3)C2)OC1(C)C 2267478175 UXLUJTLLTYTCRC-QHCPKHFHSA-N 457.405 2.199 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC(C)(C)CNC(=O)OC(C)(C)C)n1 2267526336 QNMUCZWZMXZJSK-UHFFFAOYSA-N 450.389 2.483 30 10 JEEE CC[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 2281978137 YMYPPUOSGRKGSM-HZPDHXFCSA-N 462.400 2.485 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)CC[C@H]2C1 2281978887 JYRZWNQDZQYWPD-XHSDSOJGSA-N 460.384 2.474 30 10 JEEE CCc1nn(C)c(C(=O)N[C@H]2C[C@@H](CNC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2281981357 YNSFILAQUCSNJC-GASCZTMLSA-N 462.400 2.315 30 10 JEEE C[C@H]1OC2(CNC(=O)OC(C)(C)C)CC1(NC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1)C2 2282026618 FKPBZUMPPTUOLZ-ZOEHTXHGSA-N 479.408 2.387 30 10 JEEE C[C@@H]1C[C@@H](CNC(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)CN(C(=O)OC(C)(C)C)C1 2282039598 XRTSXOVFLUMEOQ-CVEARBPZSA-N 462.400 2.342 30 10 JEEE Cn1cc(C(=O)N2CCC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)nc1B1OC(C)(C)C(C)(C)O1 2282050301 ACVYCOOHDGMVJU-WBVHZDCISA-N 460.384 2.191 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1O 2282136183 OPGIKBYXYPIMQI-RBUKOAKNSA-N 460.380 2.394 30 10 JEEE COC1(CCNC(=O)OC(C)(C)C)CN(C(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2282180408 SHOXORUNFKVFJV-UHFFFAOYSA-N 461.368 2.137 30 10 JEEE CC(C)(C)OC(=O)N1CC(C2(NS(=O)(=O)Cc3ncsc3B3OC(C)(C)C(C)(C)O3)CC2)C1 2282489704 FOCYZJHZZYLKNA-UHFFFAOYSA-N 499.464 2.261 30 10 JEEE Cn1nc(C(=O)N2CCC3(CN(C(=O)OC(C)(C)C)C3)C2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2282549171 GNDGMRBOJKWXQY-UHFFFAOYSA-N 480.802 2.456 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@]12C[C@@H]1CN(C(=O)OC(C)(C)C)C2 2282588729 IGJDNABRUQYNJF-CMJOXMDJSA-N 460.384 2.189 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@]23C[C@@H]2CN(C(=O)OC(C)(C)C)C3)n1 2282590225 YHARPPAJAXZYOM-IQMFZBJNSA-N 460.384 2.189 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CCN(C(=O)c3ncc(B4OC(C)(C)C(C)(C)O4)cn3)C[C@@H]2C1 2282625133 RCNXAOSCCLAUAG-JKSUJKDBSA-N 458.368 2.105 30 10 JEEE CC(C)(C)OC(=O)NC[C@@]1(C)CCCN1S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282831749 DKSSFMXSKXEZJM-JOCHJYFZSA-N 481.424 2.449 30 10 JEEE C[C@@H](c1nscc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)C1(NC(=O)OC(C)(C)C)CC(O)C1 2284050455 YHJPSCHNMOXVGL-QSLFRCLVSA-N 481.424 2.380 30 10 JEEE CCc1nc(C(=O)N(CCNC(=O)OC(C)(C)C)C[C@@H](C)O)c(B2OC(C)(C)C(C)(C)O2)s1 2285352853 IUCPOGGYGLLCQP-CQSZACIVSA-N 483.440 2.352 30 10 JEEE COc1cc(C=Nn2c(SCC(N)=O)nnc2C2CCCC2)ccc1OCCN1CCOCC1 2331051957 FSFNJDCMSZXCTG-UHFFFAOYSA-N 488.614 2.115 30 10 JEEE COc1cc(C=Nn2c(CC(C)C)nnc2SCCO)ccc1OCCN1CCOCC1 2331473935 PSMGZPDLHCELIC-UHFFFAOYSA-N 463.604 2.163 30 10 JEEE C=C(CS(=O)(=O)N[C@@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)OC1)B1OC(C)(C)C(C)(C)O1 2337256854 AQKDARLLLZKQIH-MRXNPFEDSA-N 472.413 2.262 30 10 JEEE C[C@H](C(=O)N1CC[C@H](B2OC(C)(C)C(C)(C)O2)C1)N1CCN(C(=O)OC(C)(C)C)CC1=O 2342542666 CQUFJTSITHTIKM-CVEARBPZSA-N 451.373 2.149 30 10 JEEE CC(=O)Nc1ccc(C)cc1S(=O)(=O)Nc1ccc(N2CCN(CCC#N)CC2)cc1C(=O)O 33007059 IKHHFEXULYATIK-UHFFFAOYSA-N 485.566 2.488 30 10 JEEE CCn1c(=O)sc2cc(S(=O)(=O)N3CCN(C(=O)c4ccc(C#N)cc4)CC3)ccc21 65032727 SWXPVJJQNXXNIG-UHFFFAOYSA-N 456.549 2.101 30 10 JEEE CCC[C@@H]1OC(C)=Cc2cc3c(c(O)c21)C(=O)C([C@@H]1OC[C@H](O)[C@@H](CO)O1)=C(CC(C)=O)C3=O 257560487 UYZRGLQTRZRYKC-QQERBGGWSA-N 472.490 2.374 30 10 JEEE CNC(=O)C[C@H]1S/C(=N\CCc2ccccn2)N(CCc2cc(OC)ccc2OC)C1=O 726109721 BBXXMXFEXSMGNC-HZYJKNPPSA-N 456.568 2.320 30 10 JEEE C#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1C[C@H](C(=O)O)[C@@H](OC)C1 757459884 QTWPHCRMWJOFFZ-PMVMPFDFSA-N 462.502 2.475 30 10 JEEE COC(=O)c1ccc(C=NNc2nnc(SCC(=O)Nc3sc4c(c3C#N)CCC4)n2N)cc1 1084395599 MJXDVVCXIGKIPG-UHFFFAOYSA-N 496.578 2.377 30 10 JEEE N#Cc1ccccc1OCc1cccc(C(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)c1 1126253085 GMIFZSHNVVJXCM-NRFANRHFSA-N 457.552 2.356 30 10 JEEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 1286350234 XOOZBKRGZCJDFK-ATKRNPRHSA-N 456.635 2.402 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC(C)(C)OC)[C@@H]1CCS(=O)(=O)C1 1286383001 UZIJVZXRUKFALB-LJQANCHMSA-N 473.599 2.199 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(Cc2ccc(F)cc2)CC1 1286429494 BURLWVQUYWMMKX-JOCHJYFZSA-N 499.612 2.236 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](CC=C)c1ccccc1 1286429959 DXKBJEQMHKVBSE-GOTSBHOMSA-N 481.622 2.434 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1nccn1C(F)F 1286460674 PKKZZCXQFOYTHE-UHFFFAOYSA-N 464.498 2.075 30 10 JEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1286494697 OQDMQCXLBUWHCR-UHFFFAOYSA-N 457.560 2.018 30 10 JEEE C#CCSCCn1c(COc2ccc(F)cc2)nnc1N1CCO[C@H](Cn2cccn2)C1 1286510392 QZFJCSGDPFSTQS-FQEVSTJZSA-N 456.547 2.465 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@]1(C)CN(C)C1=O 1286515979 ABZRIHKFIFFPBM-DHIUTWEWSA-N 454.962 2.332 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2c[nH]c3ccccc23)nnc1N(C)CCNS(C)(=O)=O 1286561236 MKLNDBXPXYDBFM-OXJNMPFZSA-N 458.588 2.393 30 10 JEEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](c2cccc(F)c2)C1 1286608621 SLNHWHNXPFVJRS-FPOVZHCZSA-N 493.605 2.337 30 10 JEEE C=C(C)COCCn1c(CCOc2ccccc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1286610750 AVYGZRFURLTJDV-UHFFFAOYSA-N 450.543 2.149 30 10 JEEE C=CC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1286664183 ROICLALDZWSJLN-UHFFFAOYSA-N 471.583 2.071 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC[C@@H](CC(N)=O)C1 1286819689 SHWJEGBQFXXGHU-KRWDZBQOSA-N 484.582 2.293 30 10 JEEE CCc1nnc(N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)n1CCNC(=O)C(C)C 1293097193 AKSMZFDBEOHQJH-UHFFFAOYSA-N 452.519 2.059 30 10 JEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1cnn(CC(C)C)c1C 1300440502 YTKIBXLYIGPIOJ-UHFFFAOYSA-N 469.615 2.474 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H](CC)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1300482793 HVDIICNMGCOCRA-FCHUYYIVSA-N 466.611 2.318 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCN1Cc1ccccc1 1300556583 JIIZHVVLRDYXDM-IRLDBZIGSA-N 468.627 2.016 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC2([S@@](C)=O)CC2)CC1 1300711833 IOOOQQKSXTWELH-TXULOHPCSA-N 487.601 2.434 30 10 JEEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(CNC(C)=O)CC1 1300742833 BUJVEYXYUFWZSO-UHFFFAOYSA-N 475.640 2.068 30 10 JEEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1300769287 DIRLDIFVJXUGGV-SFHVURJKSA-N 485.639 2.046 30 10 JEEE COC[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](Cn2cccn2)C1 1300984352 AEJOQVKMPOXAHK-NQIIRXRSSA-N 451.531 2.113 30 10 JEEE C=C(Cn1c(C(=O)NC(CC)CC)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O)c1ccccc1 1301004651 YURCDRKTYYLOJA-UHFFFAOYSA-N 479.585 2.431 30 10 JEEE COC[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCOC[C@H]2C)C1 1301282039 GSXZDNNTYOFNOZ-TZIWHRDSSA-N 454.575 2.312 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1ccsc1)N(C)C)C1CC1 1301327016 KTQVDEFHZGXPOO-MOPGFXCFSA-N 480.660 2.130 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1301499732 DYYSYVTZJWTSJZ-KSZLIROESA-N 460.579 2.125 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1301593996 ZTZFHTXWWXGKIN-CVDCTZTESA-N 476.599 2.151 30 10 JEEE C#CCCCn1c(Cc2cccnc2)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1358931692 JOKVTPFIJLCDKN-UHFFFAOYSA-N 464.595 2.497 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1Cc1c(CC)nn(C)c1OC 1359021194 GAHDQUFPQZXKPE-UHFFFAOYSA-N 452.515 2.113 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Br)s3)n2CCOC)CC1 1359041584 BIXUDLNZMGTADG-UHFFFAOYSA-N 452.378 2.381 30 10 JEEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1359055325 ANCIKAIQTVJLPE-CQSZACIVSA-N 470.521 2.445 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](CC(C)C)C1 1359099518 PJFPTVPKTJKCFR-CGXNFDGLSA-N 481.663 2.465 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1359189588 OWWPCUGOSVPBHI-HXUWFJFHSA-N 489.690 2.455 30 10 JEEE C=CCn1c(COc2ccc(OC)cc2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1359289832 OMAAUZUFZWNMHP-LJQANCHMSA-N 454.575 2.185 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1359293381 OMLWJLRWXQMIJF-OALUTQOASA-N 483.548 2.270 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC(n2ccc(C(F)(F)F)n2)CC1 1359333117 OJBQWWOYSUQNAD-OAHLLOKOSA-N 488.536 2.440 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H]2CC(=O)N(c3c(F)cccc3F)C2)ccc1F 1435717952 CHKMEQZQFKHTLA-CYBMUJFWSA-N 453.442 2.104 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCS(=O)(=O)N1CCSCC1 1507518426 UZIJFQOFYAGQNV-SJORKVTESA-N 481.619 2.394 30 10 JEEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1Cc1cc(C)no1)[C@@H]1CCS(=O)(=O)C1 1507640412 RYCAJYNDIMTIBC-LJQANCHMSA-N 469.567 2.445 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Sc1ccccc1 1507671700 ONJGSCLJQYAMHW-TZIWHRDSSA-N 487.651 2.255 30 10 JEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCCN(c2ccccc2C#N)CC1 1507743440 BRBNIORIINRJEJ-UHFFFAOYSA-N 451.600 2.371 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@](C)(O)c1cccc(Cl)c1 1507763377 BIKRMCQUTXOLFI-IPHXSNPTSA-N 466.007 2.442 30 10 JEEE C=CCCOCCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1507966825 CTABNXTZGBXXJR-QUCCMNQESA-N 452.563 2.489 30 10 JEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CN2C[C@H](C)O[C@H](C)C2)CC1 1507967359 KAHWAJLBGCCVDS-VWPQPMDRSA-N 495.690 2.099 30 10 JEEE C=CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCNC(=O)c1cc[nH]n1 1507978782 SLUQPCPIYCHKJB-UHFFFAOYSA-N 461.530 2.011 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 1508071375 IQUIZPZRQHFFDO-SFHVURJKSA-N 491.637 2.334 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1508136073 RLTGCCVXPXYCJQ-HSZRJFAPSA-N 476.599 2.329 30 10 JEEE CC(C)NC(=O)c1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1C[C@H]1CCCCS1(=O)=O 1509604618 CBVAYPFHGWMKHG-HXUWFJFHSA-N 470.599 2.424 30 10 JEEE C[C@H](Oc1ccccc1F)c1nnc(N2CCO[C@@H](C#N)C2)n1CCS(=O)(=O)CC1CC1 1510279706 CMZYLENCHLQBFC-RDJZCZTQSA-N 463.535 2.111 30 10 JEEE CCS(=O)(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1516771717 DRYQXEJBZITZDH-SFHVURJKSA-N 491.639 2.045 30 10 JEEE C=CCN(CCOC)C(=O)c1cccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c1 1538839745 IKLIJGVMNCXWFL-UHFFFAOYSA-N 457.596 2.468 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1Cc1cccc(CN(C)CC)c1)[C@H]1CCS(=O)(=O)C1 1539224348 FPYWOSCNFBANHK-QFIPXVFZSA-N 455.628 2.357 30 10 JEEE C#CCN(CC#CC)c1nnc(Cc2ccccn2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1539327716 DBIZVGBPZQIBMU-OAQYLSRUSA-N 455.570 2.228 30 10 JEEE C=C(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C[C@H](O)COc2ccccc2)CC1 1539714837 ZYARHGZKCCCQFY-QFIPXVFZSA-N 465.602 2.278 30 10 JEEE C=C(C)COCCn1c(-c2cccc(C)n2)nnc1N1CCN(c2nccc(OC)n2)CC1 1539742377 CLJWGICLJCXKKY-UHFFFAOYSA-N 450.547 2.366 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1539760112 VACKAWQUNBHIQG-TZIWHRDSSA-N 471.606 2.376 30 10 JEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](c2ccccc2)N2CCOCC2)CC1 1539873774 DDPWBJQKZRSELS-UGKGYDQZSA-N 488.658 2.364 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(Cn2ccnn2)CC1 1540876282 MRLYCFNNRHFKIL-UYAOXDASSA-N 456.595 2.007 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2Cc2nnn(C)n2)C1 1540887280 UDMUCIDQDIVDGJ-AWEZNQCLSA-N 475.351 2.069 30 10 JEEE CC(=O)Nc1ccc(Br)cc1NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1544869952 FGMKMJQVUBHSQS-UHFFFAOYSA-N 451.302 2.196 30 10 JEEE COCC1(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCNC(=O)C(C)C)CCOCC1 1555296675 BIRLQTUPGQFGPJ-UHFFFAOYSA-N 454.575 2.468 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCC2(CN3CCOCC3)CCCCC2)s1 1566264139 RFXYOKFWRFDFSY-UHFFFAOYSA-N 455.646 2.154 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCOC[C@@H]1CCOC1 1587638975 IHZDAIXVGPSLCO-UFYCRDLUSA-N 477.606 2.488 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CCCc2nnc(C)s2)c1 1587684597 ZWXJJHHOOSGZGM-UHFFFAOYSA-N 480.598 2.265 30 10 JEEE C#CCCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1587706623 RSEVUXNJZCIPAS-OAQYLSRUSA-N 498.603 2.342 30 10 JEEE C#CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@](C)(C(=O)NC)C1 1587770108 SSTDLXCGGHNCOQ-HOYKHHGWSA-N 474.606 2.352 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H](Cc1ccccc1)OC)[C@@H]1CCS(=O)(=O)C1 1588045537 MIXZRXDWTMAFKQ-NHCUHLMSSA-N 467.595 2.168 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1588049756 LEMVEHAPEYJYAG-SXLOBPIMSA-N 474.631 2.147 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1CCOc1ccc(F)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 1588050314 RBUOYLCCTYQYDX-HNNXBMFYSA-N 490.948 2.233 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCOc1cc(C)cc(C)c1)[C@@H]1CCS(=O)(=O)C1 1588053779 ICQCLAGOATYVPJ-LEWJYISDSA-N 472.611 2.495 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCc1cc(C(F)(F)F)ccn1)[C@H]1CCS(=O)(=O)C1 1588075106 XSDNGKSLQXCDBT-ZWKOTPCHSA-N 483.516 2.413 30 10 JEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H](C)N(C)C1CC1 1588090267 VMCIPMYFKSUDIL-KRWDZBQOSA-N 453.616 2.102 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H](C(C)C)N1CCOCC1 1588219200 OHLPBEWGLJKZRQ-HSZRJFAPSA-N 487.608 2.012 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2oc(CCC)nc2C)CC1 1588761963 CRTVPDWGLZOZIA-UHFFFAOYSA-N 482.610 2.401 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCCOc2ccc(F)cc2)CC1 1588929490 BFSQDSRWBHSEBE-IBGZPJMESA-N 455.534 2.356 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1594455570 RWYHPGMACQYSOH-SJORKVTESA-N 470.549 2.307 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(CC(F)(F)F)CC1 1595506491 BMAJMHYTSQBBHM-UHFFFAOYSA-N 475.479 2.392 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1595577410 RPBYETKQENZMKZ-FGZHOGPDSA-N 482.629 2.323 30 10 JEEE C=CCNC(=O)Cn1c(N2CCO[C@@H](c3ccc(Cl)cc3)C2)nnc1[C@@]1(OCC)CCOC1 1595603179 ZFIKNZMUXBFZCC-AUSIDOKSSA-N 475.977 2.464 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](CCc2ccccc2)C1 1595798178 NABUDJHGDLEIMZ-RTWAWAEBSA-N 460.600 2.221 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 1595811983 JEECQALUKNZMDT-UHFFFAOYSA-N 453.609 2.325 30 10 JEEE COc1cc(OC)c2c(c1Cl)O[C@]1(C(=O)C=C(NCCCN3CCOCC3)C[C@H]1C)C2=O 1615246168 QDKSWLQKPMCURB-QKFKETGDSA-N 464.946 2.476 30 10 JEEE CS(=O)(=O)Cc1ccc(Cn2c(Cc3ccccn3)nnc2N2CC[C@@](F)(C#N)C2)cc1 1620158718 GJWHYVWRFADBOW-JOCHJYFZSA-N 454.531 2.299 30 10 JEEE COc1cc(C(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)cc(NS(C)(=O)=O)c1OC 1623490641 DHFAIXISDZKLMR-IBGZPJMESA-N 458.540 2.098 30 10 JEEE C=C[C@@H]1OCC[C@H]1NC(=O)[C@H](CCSC)NS(=O)(=O)c1ccc(Br)cc1 1624338999 BXCOZLPJZCYJLC-PMPSAXMXSA-N 463.419 2.309 30 10 JEEE C#CC[C@]1(C(=O)NCc2ccc([C@]3(C)NC(=O)NC3=O)cc2)CCCN1C(=O)OC(C)(C)C 1627687978 HBMRMSHIKZUHLF-BJKOFHAPSA-N 454.527 2.150 30 10 JEEE Cn1ccnc1[C@@](O)(CCNS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)C(F)(F)F 1661733531 GGMYNJCRUCNIFO-AWEZNQCLSA-N 456.368 2.429 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCSCc1ccccc1 1690047735 XSZAIDCMWLFQNF-OAQYLSRUSA-N 487.651 2.007 30 10 JEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCCN2CCC(C)CC2)CC1 1690132112 IBCDXTDJXHQOPZ-UHFFFAOYSA-N 452.651 2.407 30 10 JEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 1690180747 LCLCWUSGFHVXPM-KRWDZBQOSA-N 475.640 2.368 30 10 JEEE C=C(Br)Cn1c(Cn2nc(C)cc2C)nnc1N1CCCN(Cc2noc(C)n2)CC1 1690232351 IDHOINPGOVFXFU-UHFFFAOYSA-N 490.410 2.452 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccnc2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1690243693 OESZFWMXDRCBCH-UYAOXDASSA-N 460.604 2.229 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)c1ncc(C)s1 1690597535 WPOZXNLRTAJDOT-WBVHZDCISA-N 466.633 2.358 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1690666288 ZENRHHJNXJBQHL-UHFFFAOYSA-N 499.616 2.285 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CCC(N2CCCC2=O)CC1 1690725076 DYLPZYXJVUFXSW-UHFFFAOYSA-N 487.626 2.070 30 10 JEEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(CCOC)CC2)C1 1695944870 BIDURPHESFSFQN-IBGZPJMESA-N 458.588 2.151 30 10 JEEE COc1ccccc1-c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCNC(=O)C(C)C 1697564650 DLIDLGXBRTUYJZ-UHFFFAOYSA-N 474.569 2.319 30 10 JEEE N#C[C@@]1(F)CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCCC(=O)NC2CC2)C1 1698482450 AXWQHMNZDIKTDX-QFIPXVFZSA-N 473.940 2.362 30 10 JEEE N#Cc1ccc(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@H]2CCCCS2(=O)=O)cc1 1698488620 GMGZPADTGIXMKW-WIYYLYMNSA-N 458.519 2.138 30 10 JEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CN2C[C@H](C)O[C@H](C)C2)CC1 1705516747 IEIUXGJETJKSGZ-VWPQPMDRSA-N 477.675 2.309 30 10 JEEE C#CCN(c1nnc(-c2cnn(-c3ccccc3)c2)n1CCCOCC)[C@@H]1CCS(=O)(=O)C1 1705565971 LBPOYYJYXIDBBN-OAQYLSRUSA-N 468.583 2.184 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cccc(N2CCOCC2)n1 1705590430 KYHSDTPONXABPT-AREMUKBSSA-N 478.597 2.062 30 10 JEEE C#CCN(CC)c1nnc(-c2cc(C)nc3ccccc23)n1CC1(O)CCS(=O)(=O)CC1 1705606423 RQKPZBDWVPOLQA-UHFFFAOYSA-N 453.568 2.201 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCN(C)C(C)C)CC1 1705639921 ZDXOUFFMVAXGNV-OAQYLSRUSA-N 473.666 2.488 30 10 JEEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(CC(=O)N(C)C)CC1 1705656132 VJAUUUMASOEEEU-UHFFFAOYSA-N 489.667 2.410 30 10 JEEE C=C(Br)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCN(CCOC)C(=O)C1 1705684857 FKMXPJFNFAARGT-UHFFFAOYSA-N 486.374 2.334 30 10 JEEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1705799863 IEOUYWVLMSHRLN-UHFFFAOYSA-N 475.557 2.102 30 10 JEEE C=CCCCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1705803124 GTAIJVRKYUFXOC-UHFFFAOYSA-N 452.559 2.237 30 10 JEEE C=CCCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1705821998 PHXNWJMGTFOGEU-CVDCTZTESA-N 468.650 2.485 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCCN(c2nc(C)ns2)CC1 1705905143 LDACYTOJVMXVCT-UHFFFAOYSA-N 470.578 2.187 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1705933814 SIICXTONABPJHA-GOSISDBHSA-N 463.604 2.436 30 10 JEEE C=CCSCCn1c(Cc2ccncc2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1705947596 QPMHDOBYNJNDCZ-UHFFFAOYSA-N 464.599 2.004 30 10 JEEE CC(C)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N(CCS(C)(=O)=O)C1CC1)N1CCOCC1 1706256743 FUSWPGXTKMKGIA-QFIPXVFZSA-N 486.642 2.187 30 10 JEEE CC(C)CO[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCN(C)C2)C1 1706530997 AAMJHUYVPRHTCD-XUZZJYLKSA-N 454.575 2.047 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CCOc1ncccc1F 1706626097 BUXNZMMVKXQIAS-HXUWFJFHSA-N 479.516 2.479 30 10 JEEE CC(C)SCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(C#N)cc1 1706714791 ALFAEHWGQKDFSR-LJQANCHMSA-N 478.644 2.261 30 10 JEEE C[C@@H]1C[C@@H](C)CN(CCCn2c(-c3cccc(C#N)c3)nnc2N(C)CC(=O)N2CCOCC2)C1 1707971934 HGFSDPFDFWCPOQ-NHCUHLMSSA-N 479.629 2.480 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1Cc1ccc(N(C)C)nc1)[C@H]1CCS(=O)(=O)C1 1722359018 HYXDFFJFQZNMMX-FQEVSTJZSA-N 480.594 2.090 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1CCN1CCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1722359207 JLFSVZNXYSKXTP-UYAOXDASSA-N 487.626 2.073 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCN(CC)CCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1722365715 DYVMVXCAYXWWOY-ROUUACIJSA-N 491.580 2.421 30 10 JEEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1722412393 ZBAYTWNCTJIYMD-LJQANCHMSA-N 492.550 2.175 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCN(C)CCOC 1722467439 BMDMNRDYGSHQCO-HSZRJFAPSA-N 459.616 2.309 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1cnn(CCOC)c1 1722468567 QCQOTFLDPYAVSM-XMMPIXPASA-N 497.625 2.079 30 10 JEEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1722536353 ULYPRLWUICBPBE-UHFFFAOYSA-N 470.622 2.460 30 10 JEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCOc2ccc(Cl)cn2)CC1 1722574599 NYXPALMZQCBNPW-AWEZNQCLSA-N 454.984 2.418 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CCN(C(=O)C(C)C)CC1 1722696676 SOCAZOANLUHGMM-UHFFFAOYSA-N 475.391 2.314 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(Nc2ccccc2Cl)CC1 1722697994 AXRNXNXWAOHDOI-INIZCTEOSA-N 493.033 2.217 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CCC(=O)NC(C)(C)C)C1 1722711772 ILKZCEIJEFLQQP-QGZVFWFLSA-N 489.646 2.324 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(N2CCC(OC)CC2)CCCC1 1740551808 MBQLARSRPSYNDC-OALUTQOASA-N 463.648 2.062 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCc2cc(OC)ccc21 1740671463 HXNCOPJOGPRKHA-DENIHFKCSA-N 487.626 2.199 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2CC(=O)NC2CCCCC2)CC1 1740703472 UNAFURXWCGODER-UHFFFAOYSA-N 478.597 2.368 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@@]3(CCOC3)C2)cc1 1740965099 DCIFDJHXVGJDDM-VGOFRKELSA-N 461.588 2.118 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(Cc2cc(C)on2)CC1 1740966581 UGTCRVXSOBAZCN-TZIWHRDSSA-N 471.606 2.118 30 10 JEEE C[C@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(C[S@@](C)=O)cc1 1741123483 DEESDZBJPWNBEU-HEJPQYQCSA-N 451.556 2.448 30 10 JEEE C#CCN(c1nnc([C@@H](C)OCCOC)n1Cc1ccc(Cl)s1)[C@H]1CCS(=O)(=O)C1 1748805509 SZBLGXPGSCOOKC-CABCVRRESA-N 473.020 2.392 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1sc(C)nc1C)[C@@H]1CCS(=O)(=O)C1 1748818782 GJCHWLGHWJUFLE-GOSISDBHSA-N 456.597 2.012 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H](C)c1nccs1)[C@@H]1CCS(=O)(=O)C1 1748819430 OMQFHHXTAAEMLE-SJLPKXTDSA-N 456.597 2.151 30 10 JEEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1CCC(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 1748820901 JDHVATOWVPLMLT-HXUWFJFHSA-N 487.626 2.015 30 10 JEEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H](C)N1CCN(CC)CC1 1748912474 DTXOAMHNYGRIQH-LJQANCHMSA-N 486.690 2.032 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCNC(=O)C2CC2)CC1 1749004100 DSKFOAOOTLKMNU-QGZVFWFLSA-N 482.560 2.049 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1CCc2ccccc21 1749158642 JWTHLCYOGRLYJC-JOCHJYFZSA-N 488.658 2.466 30 10 JEEE C=C1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CCN(C)CCOC)CC1 1749288375 UNKYCEHZPPKKMG-UHFFFAOYSA-N 461.636 2.281 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccn3C)n2Cc2ccccc2S(=O)(=O)N(C)C)C1 1749705124 GNWSTQOAFSOIOV-IBGZPJMESA-N 470.599 2.364 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCS[C@H](CC)C1 1749730853 SUNVGPMUBJDWDG-MRXNPFEDSA-N 488.639 2.125 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2CC2(CS(C)(=O)=O)CC2)c1 1760127482 AJVBNCHLPNHGNW-UHFFFAOYSA-N 492.605 2.145 30 10 JEEE C#CCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1760147682 DGPFUMZRWDWHIV-UHFFFAOYSA-N 453.515 2.432 30 10 JEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@H](C)Sc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1760179100 MGGAXGGUGIVRMW-RBUKOAKNSA-N 487.651 2.322 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(OC)c(Br)c2)n1CCC(=O)N(C)C 1760246244 UMWLHMGVGFUSKY-UHFFFAOYSA-N 464.364 2.281 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC(C)(C)N2CCOCC2)CC1 1760253046 AGFKHZGFIYDCRO-FQEVSTJZSA-N 470.593 2.423 30 10 JEEE C#CCSCCn1c(N2CCN(C3CCCCC3)C(=O)C2)nnc1[C@@]1(OCC)CCOC1 1760286893 YRFGTJWKFBHLDV-HSZRJFAPSA-N 461.632 2.278 30 10 JEEE C=C(C)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1760347129 FOIKISUKNLPHHQ-JOCHJYFZSA-N 472.659 2.232 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCOc2c(C)cccc2C)CC1 1760389169 FIRUMDNGMQQWEM-HXUWFJFHSA-N 475.615 2.463 30 10 JEEE C=CC[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1)c1ccccc1 1760417610 GDQMTHXKIZJPPO-NRDMVMEKSA-N 486.642 2.211 30 10 JEEE C=CCCOCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1760446866 FZHXBJQMIAEQHQ-INIZCTEOSA-N 492.378 2.101 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(Cn2cncn2)CC1 1760553738 YYGZSFBMXUQSMS-UHFFFAOYSA-N 476.994 2.102 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1760558612 UWMNRZRMRRUFOD-QHCPKHFHSA-N 494.589 2.371 30 10 JEEE CC(=O)NC1CCC(N(C)c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCO[C@@H]2C)CC1 1760633498 HCLURTWQLMYDLX-IADHEISVSA-N 452.559 2.240 30 10 JEEE COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2C[C@H](C)O)cc(OC)c1O 1862612204 DBWMSOLLWXMNQU-FKIZINRSSA-N 471.462 2.140 30 10 JEEE C=CCOc1ccccc1[C@@H]1C(C(=O)NCCCN2CCOCC2)=C(N)Oc2c1c(CC)nn2C 1864323038 BCHYHQPOTNJKJL-NRFANRHFSA-N 481.597 2.080 30 10 JEEE C=CCOc1ccccc1[C@H]1C(C(=O)N(CCN)C(C)=O)=C(N)Oc2c1c(CC)nn2CC 1865224671 JCGJVYOKZDFSOW-LJQANCHMSA-N 453.543 2.059 30 10 JEEE C#CCOc1cn(C[C@H]2CCCO2)c(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1=O 1870560625 DYKFPABEFPILOL-JOCHJYFZSA-N 465.550 2.086 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)COc2nonc2C(=O)NCCc2ccccc2)nc1C 1872706883 STQKJKVIHOAQGO-UHFFFAOYSA-N 471.495 2.167 30 10 JEEE Cc1nc(I)c(I)n1CC[C@@H](C#N)NC1CC1 1941557520 YSFCPCXCVOYEPT-VIFPVBQESA-N 456.069 2.435 30 10 JEEE CN(C(=O)OC(C)(C)C)[C@@H]1COC[C@@H]1C(=O)NCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2180965121 BOUNETJTHWUPMJ-RBUKOAKNSA-N 460.380 2.484 30 10 JEEE CC(C)(C)OC(=O)N[C@H](C(=O)N1CCC(B2OC(C)(C)C(C)(C)O2)CC1)C1CS(=O)(=O)C1 2231053900 OJAUPXXQKOMRFQ-INIZCTEOSA-N 472.413 2.009 30 10 JEEE CC(C)(C)OC(=O)NOCCCNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2247951701 JTMHJXOOTBWUMT-UHFFFAOYSA-N 462.399 2.172 30 10 JEEE CC(C)(C)OC(=O)NOCCCNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2255793812 CFTIVEFQJNOVSA-UHFFFAOYSA-N 476.426 2.313 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@]2(NS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2255796206 NDFGOGHPRBCPRO-XCLFUZPHSA-N 470.422 2.335 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1S(=O)(=O)NC1CN(C(=O)OC(C)(C)C)C1 2255799909 OIWPXEMGRGBLOQ-UHFFFAOYSA-N 452.382 2.192 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)s1 2255852592 GJBUUJIMGJYUKQ-HUUCEWRRSA-N 452.382 2.066 30 10 JEEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)[C@H](O)CCNC(=O)OC(C)(C)C 2256733434 NLNDPUCVTMRDEK-OAHLLOKOSA-N 454.398 2.281 30 10 JEEE CN(C)CCN(CCNC(=O)OC(C)(C)C)c1nccc(B2OC(C)(C)C(C)(C)O2)c1F 2266058923 GLPSQJKGODVSSO-UHFFFAOYSA-N 452.380 2.413 30 10 JEEE CC(C)(C)OC(=O)N1CCCN(CC(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)s2)CC1 2268639121 YGVDCBFZYPMIIX-UHFFFAOYSA-N 466.413 2.324 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C12CCC2 2268707315 UXRQZGLAKQPCAL-CHWSQXEVSA-N 464.397 2.281 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2C[C@H]3C[C@@H](C2)[C@@H](NC(=O)OC(C)(C)C)[C@H]3CO)C1 2281229030 UJLFFAHPXCLTCN-YHDDWHQXSA-N 477.602 2.273 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCN1CCN(Cc2ccccc2)CC1 2281968051 UGBIJKBGWQWFNT-UHFFFAOYSA-N 470.448 2.298 30 10 JEEE Cc1c(C(=O)N2C[C@@H]3C[C@@H]3[C@H]2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281978559 FOSDIIAXYOUXLJ-HRCADAONSA-N 460.384 2.013 30 10 JEEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@@H](F)[C@H](NC(=O)c1cc(B3OC(C)(C)C(C)(C)O3)n[nH]1)C2 2281986183 OUVZZACCCPNZHQ-YXPYIKCWSA-N 464.347 2.317 30 10 JEEE Cc1nc(C(=O)N2CCO[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)c(B2OC(C)(C)C(C)(C)O2)s1 2282021312 KNOFPLBSTLEHPT-GJZGRUSLSA-N 479.408 2.211 30 10 JEEE Cn1cc(C(=O)N[C@@]23CCC[C@@H]2CN(C(=O)OC(C)(C)C)C3)nc1B1OC(C)(C)C(C)(C)O1 2282042366 CENKAWQVMOTLKR-IQMFZBJNSA-N 460.384 2.239 30 10 JEEE CC(C)(C)OC(=O)N1[C@@H](CNC(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)COC1(C)C 2282171691 MTVBJQCGKYESKR-KRWDZBQOSA-N 461.368 2.483 30 10 JEEE CCC[C@]1(NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CCN(C(=O)OC(C)(C)C)C1 2282185266 DVEUMNSWSOHVRF-QFIPXVFZSA-N 463.388 2.024 30 10 JEEE CC(C)(C)OC(=O)NCC12CC(CNC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)c[nH]3)(CO1)C2 2282195081 IOZDHPDJWLDZAG-UHFFFAOYSA-N 461.368 2.118 30 10 JEEE CN1CCC(CNC(=O)OC(C)(C)C)(NC(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)CC1 2282201875 ZLPVCIQZMNFNMI-UHFFFAOYSA-N 463.384 2.298 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@]23CCC[C@H]2N(C(=O)OC(C)(C)C)CC3)n1 2282552844 MZXFRWNZMIMILV-MWTRTKDXSA-N 460.384 2.381 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 2282587455 MMNQOOANYXGFPE-HZPDHXFCSA-N 460.384 2.045 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@]12CC[C@H]1CN(C(=O)OC(C)(C)C)C2 2282590763 GQSTZBIIXPJVLA-WNSKOXEYSA-N 460.384 2.332 30 10 JEEE Cn1nc(C(=O)N2CCCC3(CN(C(=O)OC(C)(C)C)C3)C2)cc1B1OC(C)(C)C(C)(C)O1 2282626715 DGICEBHIKFWUAI-UHFFFAOYSA-N 460.384 2.192 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C[C@H]1CCO 2282702357 HAHDQZGOYPGTJM-LJQANCHMSA-N 460.380 2.430 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2C(CNS(=O)(=O)c3ccccc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2282846234 GVUYHYWDMWMIPF-IAGOWNOFSA-N 478.420 2.377 30 10 JEEE COC[C@H](ONC(=O)OC(C)(C)C)C(=O)N1CCc2cccc(B3OC(C)(C)C(C)(C)O3)c21 2283945453 BHFJJNKCPQNLNH-KRWDZBQOSA-N 462.352 2.346 30 10 JEEE CC(C)(C)OC(=O)N1CCN(CC(=O)NCc2ccccc2B2OC(C)(C)C(C)(C)O2)CC1 2283955609 FPILSYHOILAHMN-UHFFFAOYSA-N 459.396 2.155 30 10 JEEE CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2283957229 OTDBWACREZAZGZ-HNNXBMFYSA-N 482.408 2.428 30 10 JEEE CC(C)(C)OC(=O)N1[C@H](C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C[C@H]2OCC[C@@H]21 2283966879 XSMKAVPSEAHQAG-YESZJQIVSA-N 459.352 2.486 30 10 JEEE CCN1C(=O)[C@]2(C(=C(O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCOC)c2ccccc21 2296203776 OWISIZRLLOGWEG-RUZDIDTESA-N 464.474 2.047 30 10 JEEE COc1cc2c3c(c1)C(=NNC(=N)N)C(=O)N3C(C)(C)C=C2CN1CCN(c2ccc(F)cc2)CC1 2297710796 DCRSZLVWSDYAIH-UHFFFAOYSA-N 491.571 2.366 30 10 JEEE C[C@H](C#CC(=O)N[C@@]1(C(=O)O)CC[C@H](CNC(=O)OC(C)(C)C)C1)NC(=O)OC(C)(C)C 2318619191 IMTMWFVAIHJOTQ-GTQRCTGISA-N 453.536 2.167 30 10 JEEE COC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)(C)C)C2)n1N=Cc1ccccc1C(=O)O 2327876234 IEFOQYFPQMWCCW-CQSZACIVSA-N 459.528 2.238 30 10 JEEE CCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)[C@H](CC)n1c(N)nnc1SCC#N 40173438 JUGNXAPHSLFPBR-HNNXBMFYSA-N 454.516 2.428 30 10 JEEE C=CCN(CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1)Cc1cccc([N+](=O)[O-])c1 563829801 MZEXDXODMDHLCK-UHFFFAOYSA-N 472.567 2.257 30 10 JEEE CC(=O)c1sc(NC(=O)C[S@@](=O)CC(=O)Nc2sc3c(c2C#N)CCC3)nc1C 586344994 CHHGDCNORINKRT-LJAQVGFWSA-N 450.567 2.402 30 10 JEEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1-c1ccc2c(c1)OCCO2 619538519 CBYWZTWSMRSSCB-UHFFFAOYSA-N 461.543 2.090 30 10 JEEE C#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1C[C@@H](OC)[C@@H](C(=O)O)C1 757459877 QTWPHCRMWJOFFZ-ACIOBRDBSA-N 462.502 2.475 30 10 JEEE C#CC[C@@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 757473347 FDOZVXMZKRYVPJ-AOMKIAJQSA-N 450.491 2.259 30 10 JEEE COc1cccc(C=NNc2nnc(SCC(=O)Nc3cccc(NC(C)=O)c3)n2N)c1 1084144952 DHINUNOHDMZVPK-UHFFFAOYSA-N 454.516 2.136 30 10 JEEE COc1cc(C=NNc2nc(=Nc3ccccc3)nc(N3CCOCC3)[nH]2)cc(OC)c1OC(C)=O 1084334423 IDZRFVVXWZDRRV-UHFFFAOYSA-N 493.524 2.262 30 10 JEEE C=CC1(CC(=O)N(C)CC(=O)N2CCC[C@@H](C(=O)OCC)C2)CN(C(=O)OC(C)(C)C)C1 1142904472 BNGQRTFQSWHCPR-QGZVFWFLSA-N 451.564 2.060 30 10 JEEE C#C[C@@H](C)NC(=O)c1cccc(S(=O)(=O)N(C)c2c(C)n(C)n(-c3ccccc3)c2=O)c1 1275425454 ICOLNFUSPPBBTJ-MRXNPFEDSA-N 452.536 2.061 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1CN(CC(C)C)CCO1 1286298995 RUWNJVXUPSDJPV-IRLDBZIGSA-N 466.634 2.267 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)(C)C)n2Cc2ccc3c(c2)C(=O)NCC3)n1 1286469577 JRQAOLAIJPRPIN-UHFFFAOYSA-N 475.597 2.393 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccc(OC)c(OC(F)F)c2)CC1 1286472575 JPRUVOMZUAISID-XMMPIXPASA-N 491.539 2.344 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC2(C(N)=O)CCCC2)CC1 1286474694 OTLMEKJPVFBFJP-UHFFFAOYSA-N 456.978 2.408 30 10 JEEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1286503789 JIWSPIJDFYPRMQ-IBGZPJMESA-N 469.659 2.219 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1286559736 YHFCGOKNEKYDOZ-NZQKXSOJSA-N 498.603 2.162 30 10 JEEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](F)[C@@H](c2ccccc2)C1 1286609280 ZNOSQLNVKAPDSK-NJYVYQBISA-N 493.605 2.146 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1286667480 KHLBIUKQMCDVAV-IAGOWNOFSA-N 452.625 2.082 30 10 JEEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC[C@H](C2CCC2)C1 1286687229 HMVDADQMFRKKBR-WOJBJXKFSA-N 467.636 2.220 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CC1(C(N)=O)CCCC1 1286740409 LNYAVYBFZLWAPA-IBGZPJMESA-N 452.559 2.476 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCc2c(ccnc2N(C)C)C1 1286783802 MHSGSZBFGKXPLN-UHFFFAOYSA-N 477.569 2.288 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 1286788908 JVSUNMHNDLPTKP-SFHVURJKSA-N 494.987 2.470 30 10 JEEE CC(C)(C)OC(=O)N1CC(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@H](C(N)=O)C2)C1 1287050193 DYTPWIUKQJNTFA-IBGZPJMESA-N 495.584 2.297 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cc3ccccc3o2)n1CCNS(=O)(=O)Cc1ccon1 1300281197 BTBHVGGLGNTDFK-HNNXBMFYSA-N 454.512 2.257 30 10 JEEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1ccc(CN2CCC(O)CC2)cc1)[C@H]1CCS(=O)(=O)C1 1300485083 UDHZZZUFGUPKCH-REWPJTCUSA-N 499.681 2.423 30 10 JEEE C#CCN(c1nnc(C2CCC2)n1C[C@@H](C)CNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1300490987 DEBSFFQAGIAOOL-FUHWJXTLSA-N 465.620 2.333 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(Br)cc2)n1CCN1CCN(C(C)=O)CC1 1300563131 FBOSPOHBIHXMQJ-UHFFFAOYSA-N 483.414 2.335 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(N2CCC(OC)CC2)CCCC1 1300631145 MBXPOXXRJZHGRU-LJQANCHMSA-N 463.648 2.063 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNc1ncc(Cl)cc1Cl 1300631598 TXUAPEJSQQHILQ-CYBMUJFWSA-N 457.387 2.454 30 10 JEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CCOc1ncccc1Cl 1300664295 QHGFVHXCHCXPHB-UHFFFAOYSA-N 458.906 2.219 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)s3)n2CC2(CS(C)(=O)=O)CC2)CC1 1300690928 SUDUFNNDLQKLPP-UHFFFAOYSA-N 498.472 2.349 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CC2([S@@](C)=O)CCC2)CC1 1300691394 XAOBHNSRDLJYNJ-MGBGTMOVSA-N 471.627 2.409 30 10 JEEE C#CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCOCC 1300763797 SKEBQJNZHAVMEF-KRWDZBQOSA-N 453.609 2.426 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C(=O)COC)CC1 1300890535 HDUUOFAOGRJRTK-PXDATVDWSA-N 483.613 2.348 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCOC2)n1CC1(O)CCS(=O)(=O)CC1 1301351381 RGGKWUXSZCCXFK-SFHVURJKSA-N 464.563 2.053 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1301491219 GAPKUVKEXSVQPQ-SFTDATJTSA-N 493.656 2.182 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 1301584809 DVRAXXODLKEGTK-UHFFFAOYSA-N 497.581 2.484 30 10 JEEE C=CCNS(=O)(=O)c1cccc(C(=O)NCCC2(O)CCN(Cc3ccccc3)CC2)c1 1303094381 DCEXGHBRYMVLIL-UHFFFAOYSA-N 457.596 2.298 30 10 JEEE Cc1cc(C)nc(N2CCN(c3nnc(-c4ccc(C#N)cc4)n3CC(=O)NCC(F)(F)F)CC2)n1 1304190156 GRFWIZMFVBNBJH-UHFFFAOYSA-N 499.501 2.229 30 10 JEEE Cc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)c(O[C@@H]2CCOC2)c1 1304348069 ATQXMDXQMNBUKP-FXAWDEMLSA-N 488.614 2.153 30 10 JEEE N#Cc1cccc([C@H]2CN(C(=O)Nc3cccc(S(=O)(=O)N4CCOCC4)c3)CCO2)c1 1309979523 CPOMFBVIHHQWAQ-OAQYLSRUSA-N 456.524 2.185 30 10 JEEE CN(c1nnc(-c2cccc(C#N)c2)n1CCc1nccs1)C1CCN(S(C)(=O)=O)CC1 1314681571 DBQQZZYCBQVWGK-UHFFFAOYSA-N 471.612 2.376 30 10 JEEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1358926753 ATGAVBNRCMDPRJ-UHFFFAOYSA-N 486.646 2.282 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@@H](C)N2CCN(CC)CC2)CC1 1359032715 ACBBHUBCXZGMRT-JOCHJYFZSA-N 495.672 2.134 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@H]2CCN(CC)C2)CC1 1359047794 UAXGDIYFHPPOFU-HXUWFJFHSA-N 480.613 2.173 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2cc(F)cc(OC)c2)CC1 1359048059 CVUXVDKXRDGDFT-UGKGYDQZSA-N 485.560 2.164 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCC(=O)N2)n1CC1CCS(=O)(=O)CC1 1359275466 UYWHBGZXPIHCLP-HXUWFJFHSA-N 457.600 2.289 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cc(C)ccc2C)CC1 1359326586 DMUFFJUISXLJER-UHFFFAOYSA-N 486.642 2.058 30 10 JEEE CC(=O)N1CC[C@@H](CN(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccc(C#N)o2)C1 1359356209 IHSDEKOYNGEZSD-FDDCHVKYSA-N 456.547 2.136 30 10 JEEE CC(=O)NC[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCN2CCCO)C1 1359433157 CEZFGHVJEKPOOU-GGAORHGYSA-N 465.602 2.016 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(N2CCSCC2)CCCC1 1507688980 FYJNHYOYPPWDST-GOSISDBHSA-N 451.662 2.001 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 1507690794 WXFMDUIFAYNOJR-GOSISDBHSA-N 463.604 2.207 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCCn2cccn2)CC1 1507733405 XRTMISMAKIHROF-FQEVSTJZSA-N 468.606 2.392 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2CCCN2CCCCC2=O)CC1 1507741650 YGDWVZAFXFEHEL-UHFFFAOYSA-N 496.587 2.365 30 10 JEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(N(C)c2ccccc2)CC1 1507745944 GZMZSIYHMWBJOO-GOSISDBHSA-N 476.672 2.360 30 10 JEEE C#CCSCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1507750007 FSWOWVYJLZZUGY-IBGZPJMESA-N 456.597 2.121 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCOC[C@H]1C 1507793757 BQHMIKTYQSRTPV-QFUCXCTJSA-N 475.615 2.402 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(C(=O)N2CCCC2)CC1 1508073506 NISIDQOKMRISPM-UHFFFAOYSA-N 490.406 2.177 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1508135665 KUAGYWWEKCCEPI-LJQANCHMSA-N 473.599 2.146 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)nnc1C(C)(C)C 1508148202 GRFNXCOEEDYMKV-GOSISDBHSA-N 487.692 2.007 30 10 JEEE CC(C)C(=O)NCCn1c(Cc2cccnc2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1508819844 CKNWOCVDIGGBAT-UHFFFAOYSA-N 476.560 2.373 30 10 JEEE CO[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1)C(C)C 1517818891 GUASKWCIQSZWDL-FQEVSTJZSA-N 460.604 2.348 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCC1(O)CCOCC1 1539003782 QMFCLALSPDOAAZ-QGZVFWFLSA-N 450.543 2.064 30 10 JEEE C#CCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(N2CCOCC2)CCSC1 1539193903 MJEOJTDKLXHVBB-HSZRJFAPSA-N 452.584 2.006 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@H](OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1539218789 DEMHFYULRXAAQW-JXFKEZNVSA-N 464.538 2.199 30 10 JEEE C#CCN(c1nnc(C2CCCC2)n1CCNC(=O)c1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1539222363 VPTSOOITBXYZOB-HXUWFJFHSA-N 485.610 2.001 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2ccccn2)n1C[C@@H]1C[C@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1539272221 VJKVNRAUPJOSFE-ILWGZMRPSA-N 476.581 2.361 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(C)n2)n1CC(=O)N1CCN(c2ccccc2)CC1 1539315661 RKNHUHLRTTUNBQ-UHFFFAOYSA-N 467.577 2.460 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1nc(C(C)(C)C)cs1 1539370013 RRGDMQUVWQOTDO-INIZCTEOSA-N 480.660 2.067 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCCOCC(F)F)CC1 1539452121 LLTCCUYBDZPQGN-SFHVURJKSA-N 498.575 2.014 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N(C)C1CCC(NC(C)=O)CC1 1539490779 HYCDEROMELEUHS-UHFFFAOYSA-N 455.588 2.175 30 10 JEEE C#CCSCCn1c(N2CCN(C(=O)c3cc(C)oc3C)CC2)nnc1[C@]1(OCC)CCOC1 1539530622 KHIYBLZOANPFHN-DEOSSOPVSA-N 487.626 2.469 30 10 JEEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)O[C@H](COC)C1 1539729445 PZPBNGUUQYWSGD-HKUYNNGSSA-N 464.588 2.181 30 10 JEEE C=C(C)COCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1539736306 VUTKUGWRLIIHHW-SFHVURJKSA-N 484.557 2.028 30 10 JEEE C=C(Cl)Cn1c(N2CCN(CC(=O)N3C[C@@H](C)C[C@@H](C)C3)CC2)nnc1[C@@]1(OCC)CCOC1 1539823378 BJHJTSHBIGPNCK-YDIMBITNSA-N 495.068 2.309 30 10 JEEE C=CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCn1cc(CO)nn1 1540070729 DENAKIZBMGYHFS-KRWDZBQOSA-N 460.583 2.189 30 10 JEEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(Cc2cscn2)CC1 1540872739 ZFFBMHHAVHXKPM-UHFFFAOYSA-N 473.553 2.228 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1540874466 HORFGNTUJZXDQS-NRFANRHFSA-N 482.629 2.466 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@]2(O)CCO[C@@H]2C)C1 1540883531 AYTPMCPFWZALTJ-ZXYWRSMDSA-N 452.353 2.357 30 10 JEEE Cc1noc(C)c1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1543412444 DKPHXYPQDWDMRE-UHFFFAOYSA-N 499.597 2.242 30 10 JEEE CC1CCN(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](CNS(C)(=O)=O)C2)CC1 1544514337 ICMQWXBWOLWKPO-OAQYLSRUSA-N 485.658 2.314 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(Cc2cccnc2)n1C[C@]1(O)CCO[C@@H]1C 1555545406 DLLXBFQQXDWUJS-KBMIEXCESA-N 462.554 2.328 30 10 JEEE CO[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2C[C@H](C)O[C@H](C)C2)C1 1555784511 DJQMKAVGIKZUGQ-JQVVWYNYSA-N 454.575 2.453 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CC(C)(C)c1ccccn1)[C@H]1CCS(=O)(=O)C1 1588029608 JLVYJWMHYGVRPS-IBGZPJMESA-N 486.642 2.196 30 10 JEEE C#CCN(c1nnc(-c2cccc3cccnc23)n1CCC(=O)N[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1588044729 BJSZAKJINUPKIN-QUCCMNQESA-N 494.621 2.425 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1cn(CCCCC)nc1C)[C@@H]1CCS(=O)(=O)C1 1588074261 LMVBAYJGGQSKEK-NHCUHLMSSA-N 474.631 2.500 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)CC1 1588812484 RTVQUHCJMBWDMG-VAMGGRTRSA-N 458.607 2.183 30 10 JEEE C#CCSCCn1c(N2CC(=O)N(C)[C@H](C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1589124947 FNXAWHGGXFCECA-ZACQAIPSSA-N 462.620 2.082 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(OC)cc2)n1CCC(=O)N1CCOCC1 1589250823 CJRUWSZHEJFTJK-XMMPIXPASA-N 453.543 2.107 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCCN(C(C)=O)CC1 1589504017 GPDZBUMXYYPLAZ-IRLDBZIGSA-N 487.626 2.388 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)CC(C)C 1589545581 NVTRMTRUIWIMBD-OTWHNJEPSA-N 455.625 2.075 30 10 JEEE C=C(C)COCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCO[C@@H](CNC(C)=O)C1 1593758141 VWULVTNRLUZOKK-FQEVSTJZSA-N 452.559 2.284 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)NC(C)C)n1CC1(S(C)(=O)=O)CC1 1595085480 WEXFJCJBSFWRRX-UHFFFAOYSA-N 456.572 2.058 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCC(NC(=O)NC2CCCCC2)CC1 1595529951 NQNJDXFBGUVNAI-UHFFFAOYSA-N 454.579 2.176 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1595595726 YPQSYQIFYIVMNG-DLBZAZTESA-N 470.599 2.129 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1595772425 AGBCYJLOWMAASJ-HXUWFJFHSA-N 483.953 2.369 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1595822020 FYJXATSEFZURCA-APWZRJJASA-N 452.552 2.458 30 10 JEEE CC(C)(C)S(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ncccn2)CC1 1597693429 BXJRXDBZAQROAN-UHFFFAOYSA-N 480.598 2.147 30 10 JEEE CC(C)Cc1nnc(N2CCN(c3oc(C4CC4)nc3C#N)CC2)n1CC(=O)NCC(F)(F)F 1603668409 CVPSCALYDUKALY-UHFFFAOYSA-N 480.495 2.219 30 10 JEEE CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 1611440895 BPQOJCMWPQBFRK-IBGZPJMESA-N 458.494 2.487 30 10 JEEE C=CCNC(=O)CNC(=O)[C@@H](C)Oc1ccc(N(C)S(=O)(=O)c2ccc(C)c(C)c2)cc1 1631619225 KECMQVGYBCNJGY-GOSISDBHSA-N 459.568 2.314 30 10 JEEE CC(=O)c1cccc(S(=O)(=O)NCC(=O)N[C@H](C#N)c2ccccc2Br)c1 1646347000 SFFNAPGZSNESBM-QGZVFWFLSA-N 450.314 2.311 30 10 JEEE CCc1cnc(CCn2c(-c3ccc(C#N)cc3)nnc2N(C)CC(=O)N2CCOCC2)s1 1649604016 GQUGCROIEBXCNN-UHFFFAOYSA-N 465.583 2.373 30 10 JEEE C=CCC1(O)CCN(CC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2OC)CC1 1654837785 JJBQTHXROJBHLZ-UHFFFAOYSA-N 451.589 2.211 30 10 JEEE C#CCC1(NCC(=O)NCCN2C(=O)S/C(=C/c3ccc(OC)c(OC)c3)C2=O)CCC1 1654870637 GWHHCMNNJWLUOP-XMHGGMMESA-N 457.552 2.392 30 10 JEEE N#Cc1ccc(N2CCN(S(=O)(=O)c3cccc(C(=O)NCC(F)(F)F)c3)CC2)cc1 1656497539 DTJJXUCMGKQTIW-UHFFFAOYSA-N 452.458 2.361 30 10 JEEE CCC(CC)NC(=O)[C@@H]1CN(CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)c2ccccc2O1 1657766644 HIOFMOAYICDKAH-GMAHTHKFSA-N 455.603 2.251 30 10 JEEE C#CCN(C(=O)NCCS(=O)(=O)NC(C)C)[C@H]1CCOc2ccc(Br)cc21 1676118550 ASZXNSPHGFYAKV-INIZCTEOSA-N 458.378 2.245 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCN1CCN(Cc2ccccc2)CC1 1689825680 AYQFGSOGHPQSSX-OAQYLSRUSA-N 472.597 2.201 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C)nc2)c1 1689868516 IYFQSTQFTWOXQS-UHFFFAOYSA-N 457.538 2.322 30 10 JEEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1689875066 JCWFOWMYTAIWRD-IBGZPJMESA-N 464.574 2.311 30 10 JEEE C#CCCCCn1c(COc2ccc(F)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1689904280 PZIIINODVDQKPJ-IBGZPJMESA-N 454.506 2.272 30 10 JEEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 1689982348 KZJZPVKGKDLILK-XMSQKQJNSA-N 479.002 2.259 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1Cc1ccc(OC)nc1OC)[C@@H]1CCS(=O)(=O)C1 1689984723 UCQCYIADFHWNDP-LJQANCHMSA-N 497.577 2.041 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@](C)(O)c1cccs1)[C@H]1CCS(=O)(=O)C1 1689988493 QAQVQBDGHPUOHA-HTAPYJJXSA-N 471.608 2.244 30 10 JEEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1CC(=O)N1CCN(c2ccccc2)CC1 1690083035 YAEQOGGIPUVUQI-UHFFFAOYSA-N 491.621 2.078 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(OC)c2)n1C[C@@]1(N2CCOCC2)CCSC1 1690095602 WWYWXNHGASPIDX-DEOSSOPVSA-N 471.627 2.248 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1CCn1cc([C@@H]2CCOC2)cn1 1690097840 PYXMGRSZKWWSOV-GOSISDBHSA-N 455.950 2.480 30 10 JEEE C#CCSCCn1c(N2CCC[C@@H](NC(=O)OCC)C2)nnc1[C@@]1(OCC)CCOC1 1690186076 LIDMYKQYMMGKOT-DYESRHJHSA-N 451.593 2.012 30 10 JEEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccccc1[N+](=O)[O-] 1690219927 NRWUHPRDHOIXPV-GFCCVEGCSA-N 473.353 2.342 30 10 JEEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1690228683 CQMQRBGUSNWDLB-LBPRGKRZSA-N 485.326 2.437 30 10 JEEE C=C1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CCOCCN(C)C)CC1 1690372634 UDKZNXDJZIUCRR-UHFFFAOYSA-N 451.575 2.410 30 10 JEEE C=CCCOCCn1c(-c2ccc3ccccc3n2)nnc1N1CCO[C@H](CNC(C)=O)C1 1690504016 VPXOWZZSGPUOJX-HXUWFJFHSA-N 450.543 2.427 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1)C(C)C 1690581621 VOHMIFFICKTQMJ-BHDDXSALSA-N 471.650 2.427 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(N(C)C(=O)OCC)CC1 1690720294 FBNIVPNGLNBPMY-UHFFFAOYSA-N 486.598 2.475 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1690726912 QHAYQJNYTBYOQV-QFIPXVFZSA-N 462.620 2.097 30 10 JEEE C[C@@H]1CCCN(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2cccc(C#N)c2)C1 1693682221 FQNMFCDAUGXOJJ-WIYYLYMNSA-N 456.616 2.420 30 10 JEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCN(CC(F)(F)F)C1 1705580612 MRFOOKZOXYXVSL-KRWDZBQOSA-N 493.559 2.195 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1705590392 JWNMSRRZADIJIY-SHQCIBLASA-N 477.609 2.008 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(OCCN(C)C)cc2)CC1 1705648830 ZYOYNRFBYHGCSC-QHCPKHFHSA-N 494.640 2.127 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1705708360 BNJSDFAYHIQKIJ-CBQOVEMMSA-N 471.583 2.333 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCCN1C1CC1 1705716315 GYVSOLLXVVNQHV-UXHICEINSA-N 466.652 2.030 30 10 JEEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1705729983 DWNFRPFBMJVWJR-QGZVFWFLSA-N 457.535 2.233 30 10 JEEE C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](n2cncn2)C1)c1ccccc1 1705741176 IDWJYYNFWQPBMV-HKUYNNGSSA-N 456.576 2.035 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1705896464 NQQXAEKXWUVWEX-CABCVRRESA-N 495.447 2.228 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(c2ncccc2C#N)CC1 1705907022 XXGVHPPBZYKJGX-UHFFFAOYSA-N 486.580 2.369 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2OCC)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1705908218 KZQQROBRGSVBCM-KBMIEXCESA-N 485.585 2.332 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCN2CCCO[C@H](C)C2)C1 1705916086 YMYOTQMNNSDJHR-WOJBJXKFSA-N 469.590 2.208 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2sccc2[C@@H]1CC 1705936121 KIRVTYHFQWSXHG-WBVHZDCISA-N 484.669 2.356 30 10 JEEE CC(C)[C@@H](Cn1c(COc2ccc(F)cc2)nnc1N1CCO[C@H](C#N)C1)N1CCOCC1 1706263553 AVFKQKVGIZQCAR-NHCUHLMSSA-N 458.538 2.082 30 10 JEEE CC(C)N(C)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccccc2C#N)CC1 1706551965 FVBFRCLFMWWEMS-UHFFFAOYSA-N 450.591 2.053 30 10 JEEE CCn1cc(CN(C)c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(OC)CCOC2)cn1 1710182999 FGZJANSBESFZKU-QHCPKHFHSA-N 451.531 2.387 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1Cc1ccc(C)n(C)c1=O 1722277938 OIJTWIPPPIWKAZ-HNNXBMFYSA-N 451.527 2.484 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(COc2ccccc2)CC1 1722333707 YDGUSUMIPRXMDT-QFIPXVFZSA-N 487.626 2.320 30 10 JEEE C#CCCCn1c(N2CCN(Cc3c(C)nn(C)c3C)CC2)nnc1[C@]1(OCC)CCOC1 1722340566 CIBQRQUSRCVHBG-DEOSSOPVSA-N 455.607 2.016 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Cl)n1CCN1CCSCC1)[C@H]1CCS(=O)(=O)C1 1722364100 XHOHIUFUYPUJDU-KRWDZBQOSA-N 480.059 2.274 30 10 JEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN1CCCC(C)(C)C1 1722378668 GRKGYHWEGUSNSZ-UHFFFAOYSA-N 467.643 2.433 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccc3)n2C[C@H]2NC(=O)CC2(C)C)n1 1722428354 VECAMBCROVWCQP-OAQYLSRUSA-N 461.570 2.343 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCOC2CCCCCC2)CC1 1722446533 ZWLWQAVLDADVGH-UHFFFAOYSA-N 451.575 2.440 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(CC(=O)NCC)CC1 1722495905 IKVNVNZHHDHYHK-YADARESESA-N 498.628 2.202 30 10 JEEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@H]21 1722629546 LRKIMYDWNLIOQF-HAGHYFMRSA-N 467.636 2.219 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1722701734 BKMMPSJEQHPUNW-PZJWPPBQSA-N 455.559 2.160 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1C[C@@H](C)OC(C)(C)C1 1722727092 IFQQOXPQGAIEDX-OAHLLOKOSA-N 472.571 2.198 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(Cc2cccc(C)c2)CC1 1722729362 ZLOWBHLCGFVMGX-JOCHJYFZSA-N 473.643 2.404 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)NC(CC)CC)nnc1N1CCc2nn(C)c(=O)cc2C1 1722733212 UQRDBNRITNZSIL-UHFFFAOYSA-N 491.596 2.466 30 10 JEEE CC(C)CN1C[C@H]2CN(c3nnc(COc4ccc(C#N)cc4)n3CCC(C)(C)O)CCN2C1=O 1723446093 ALLDVFCSWRZWMG-HXUWFJFHSA-N 481.601 2.472 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCCN1CCOCC1 1740540410 ZHORXTXBDDXUPO-GOSISDBHSA-N 473.647 2.117 30 10 JEEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1740578107 XQZKKQNGRIBRLN-TZIWHRDSSA-N 497.669 2.062 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CC1(OC)CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1740615559 GWAJCDQQGZRPGT-RKRRMPDFSA-N 493.674 2.419 30 10 JEEE C#CCN(c1nnc(COCC)n1C[C@H](c1ccccc1Cl)N(C)C)[C@@H]1CCS(=O)(=O)C1 1740626784 CMIZKWLZSVXVTL-YLJYHZDGSA-N 480.034 2.398 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CCCSC)[C@@H]1CCS(=O)(=O)C1 1740628226 OPUSALZGSCVHDI-GOSISDBHSA-N 459.597 2.109 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H]1CCCN1c1cnn(C)c1 1740631921 YMQMSGYTRJIPRI-HXUWFJFHSA-N 459.554 2.438 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H]2CCOC[C@@H]2OC)CC1 1740699648 OERXLHRBYRLTCY-NQIIRXRSSA-N 459.978 2.317 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCCSC2)CC1 1740840391 XUJYYJKHHQYLJI-ZWKOTPCHSA-N 455.650 2.157 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC(O)(c2c(F)cccc2F)CC1 1740950695 DFCUZJGRWBTIAR-UHFFFAOYSA-N 490.555 2.265 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(=O)OCC(C)C)CC1 1740954900 IQQDSMNFIANDLD-UHFFFAOYSA-N 486.573 2.179 30 10 JEEE C=CCOc1ccccc1Cn1c(N2CC[C@@](C)(C(N)=O)C2)nnc1[C@]1(OCC)CCOC1 1740971688 SWHYGLHWSUSZDK-RPWUZVMVSA-N 455.559 2.245 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)Cc1c(C)nn(C)c1C 1740987529 IDTPGILWBRHFOO-UHFFFAOYSA-N 473.559 2.441 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1CC[C@H](CO)O1 1748846689 JOKRMRJWKXWVGY-SLFFLAALSA-N 457.575 2.005 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccn(Cc3ccccc3)n2)CC1 1748971216 IAWHULAZSJFUTF-UHFFFAOYSA-N 474.613 2.245 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2sc(C)nc2C)CC1 1748994433 HCWYGCLMGCERKF-UHFFFAOYSA-N 455.613 2.146 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@](C)(O)c2cc(C)oc2C)CC1 1749016559 GFCIMULAPQNAPJ-SANMLTNESA-N 476.581 2.347 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc([C@@H](C)O)cc1 1749157979 BQNZFTDMWXEVBB-XLIONFOSSA-N 463.604 2.115 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(c2cc(C)nc(C(C)C)n2)CC1 1749668932 AVMWZDXUECMYPU-IBGZPJMESA-N 468.606 2.370 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccc(F)cc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1749715146 PZFSKPWETYYLEC-VLZBMTSBSA-N 466.517 2.316 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(=O)OC)CC1 1749724630 KSUDVZSNUWKWER-UHFFFAOYSA-N 453.952 2.088 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCS(=O)(=O)C(C)(C)C 1760115762 BMSPEYHFXVVRHX-IRXDYDNUSA-N 483.635 2.258 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H](C)c1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1760185434 XCHDRHOJYBHYBF-QAPCUYQASA-N 456.572 2.319 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC1(OC)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1760186121 ANPCAOBEPFAQNJ-RTBURBONSA-N 450.605 2.148 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccc(OC)cc2)n1C[C@@]1(N2CCOCC2)CCSC1 1760210503 QXRGWWGHXUYNEY-VWLOTQADSA-N 481.622 2.146 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC1(O)CC(OCC)C1 1760216153 CIIXNSZFMLHQTO-UHFFFAOYSA-N 488.592 2.458 30 10 JEEE C#CCN(CC#CC)c1nnc(COc2ccc(Cl)cc2)n1CCN1CCN(C(C)=O)CC1 1760223392 RKNOVJYQLSSEFQ-UHFFFAOYSA-N 468.989 2.138 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(C#N)CC1 1760412702 PSFFTWJPACKJNW-KRWDZBQOSA-N 450.609 2.343 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@](C)(O)c2cc(C)oc2C)C1 1760541986 IZHYXIHWEQPLIP-JBYIUTFZSA-N 464.588 2.079 30 10 JEEE C=CCSCCn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1760560872 ICCJCWVPPHUJAH-UHFFFAOYSA-N 491.061 2.499 30 10 JEEE C[C@@]1(C#N)CCCN(c2nnc(CN3CCCC3=O)n2CCNc2nccc(C(F)(F)F)n2)C1 1761545783 IFKFDNQARJFKFE-FQEVSTJZSA-N 477.495 2.451 30 10 JEEE CNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC[C@H](O)C2)CC1 1767699088 GHDWKVFUUFQDES-ICSRJNTNSA-N 452.559 2.242 30 10 JEEE CN(C)C(=O)CC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCOC2)CC1 1768433131 ARNONEWKWOBOHX-FQEVSTJZSA-N 452.559 2.460 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N1CCC(C(=O)ON2C(=O)c3ccccc3C2=O)CC1 1772789332 SIPYEGDHKGETSK-SFHVURJKSA-N 471.510 2.379 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@H]2c2cc(OC)c(O)c(OC)c2)cc1F 1862646460 GQNTUNFDSZDRDY-FQEVSTJZSA-N 488.468 2.272 30 10 JEEE COc1ccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2CCN2CCOCC2)cc1O 1862754394 LAXGCCGXSGHNDC-OAQYLSRUSA-N 483.477 2.220 30 10 JEEE COCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1862762519 MCGQKPYXFANURG-IBGZPJMESA-N 485.405 2.499 30 10 JEEE COc1cc(C(=O)NCC(=O)Nc2c(C#N)nnn2-c2cccc(Cl)c2C)cc(OC)c1OC 1870140302 JMZBSMLZWSACJK-UHFFFAOYSA-N 484.900 2.495 30 10 JEEE COc1ccc(CCN2C[C@H](C(=O)Nc3c(C#N)nnn3-c3cccc(F)c3)CC2=O)cc1OC 1870149689 NKAXHSDBGXNPSY-MRXNPFEDSA-N 478.484 2.325 30 10 JEEE C=CCN(CC=C)c1nc(=NCCc2ccc(S(N)(=O)=O)cc2)[nH]c(=Nc2ccccc2C)[nH]1 1871484951 VWRANWKPKQVPAS-UHFFFAOYSA-N 479.610 2.248 30 10 JEEE COc1ccc(/C=N/n2c(CNC(C)=O)nnc2SCC(=O)Nc2ccccc2F)cc1O 1874431723 YXUBADNIDFOITG-YSURURNPSA-N 472.502 2.381 30 10 JEEE N#Cc1cccnc1N1CCN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc(Cl)cc2)CC1 1892215365 KJOSWQMKXUKLIN-HXUWFJFHSA-N 473.986 2.499 30 10 JEEE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 1914902776 DYXXNQLFFSDECH-FQEVSTJZSA-N 480.590 2.349 30 10 JEEE C#CCNC(=O)C[S@@](=O)C(C)(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 2019031399 KAZBSCZPBJHVNU-GMWXTNTRSA-N 482.558 2.255 30 10 JEEE CC(C)(C)OC(=O)NC1(C(N)=O)CCN(Cc2cccc(B3OC(C)(C)C(C)(C)O3)c2)CC1 2162881766 VSEYXAGWUZIMHH-UHFFFAOYSA-N 459.396 2.330 30 10 JEEE CC1(C)OB(c2nccnc2C(=O)N[C@@H]2CCCN(C(=O)OCc3ccccc3)C2)OC1(C)C 2256067645 REYAHXMYWMDQPY-GOSISDBHSA-N 466.347 2.307 30 10 JEEE Cn1cc(C(=O)N2CCC[C@@H](NC(=O)OCc3ccccc3)C2)nc1B1OC(C)(C)C(C)(C)O1 2264011132 OTGNAAMEQDTIOV-GOSISDBHSA-N 468.363 2.250 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCCC2(O)CN(C(=O)OC(C)(C)C)C2)s1 2267094230 CQXNNFXEUCYYOE-UHFFFAOYSA-N 466.409 2.457 30 10 JEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O 2267137537 NYPJVIDZRDPEEB-HZPDHXFCSA-N 466.409 2.456 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@](CO)(NC(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)C1 2267291118 LZKPVLWQXYLJID-QFIPXVFZSA-N 450.341 2.071 30 10 JEEE CCN(CCCNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)c(C)nn1C)C(=O)OC(C)(C)C 2267522439 UVLOPYPMHFNNIJ-UHFFFAOYSA-N 450.389 2.405 30 10 JEEE CC1(C)OB(c2ccc(CS(=O)(=O)N(CCC(N)=O)Cc3ccccc3)cc2)OC1(C)C 2267710203 PKJCFBZNUZANHQ-UHFFFAOYSA-N 458.389 2.193 30 10 JEEE COCCN(CCNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(=O)OC(C)(C)C 2267711136 GQTJVPMSURQNKU-UHFFFAOYSA-N 490.453 2.209 30 10 JEEE C[C@@H]1CN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)CC[C@@H]1NC(=O)C(F)(F)F 2267723154 OSJBQYBNKSFYSM-YPMHNXCESA-N 482.355 2.125 30 10 JEEE COc1ccc(C(=O)N[C@@H]2COC[C@H]2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2281937368 YXDULPFUXSXYCG-QZTJIDSGSA-N 462.352 2.016 30 10 JEEE Cc1c(C(=O)N(C)[C@H](CNC(=O)OC(C)(C)C)C2CC2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281987647 BFZRLXWXKQPQPX-MRXNPFEDSA-N 462.400 2.403 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](CO)[C@H](NC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)CC1 2282014004 NFEXLVBMEKZBNY-GOEBONIOSA-N 481.424 2.180 30 10 JEEE Cn1cc(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 2282046116 HHWXCIGKUUDBAU-XHSDSOJGSA-N 460.384 2.237 30 10 JEEE CC[C@@]1(NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CCCN(C(=O)OC(C)(C)C)C1 2282091787 ISRZTQVTKBWENE-JOCHJYFZSA-N 463.388 2.024 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(C(=O)N2C[C@H](O)C[C@@H]2CNC(=O)OC(C)(C)C)c1 2282108655 BGWFCMGMERZFRJ-RTBURBONSA-N 460.380 2.394 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)NCC1(O)CC(NC(=O)OC(C)(C)C)C1 2282131032 RAGVXHXTMSMZID-UHFFFAOYSA-N 460.380 2.442 30 10 JEEE CO[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn1C 2282190499 HRQLFARYLWPNDV-AEFFLSMTSA-N 463.384 2.079 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@]2(NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2282325441 FEJBPEDEIRMERH-RCDICMHDSA-N 482.383 2.413 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1[C@@H]2CN(S(=O)(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)c(F)c3)C[C@@H]21 2282326605 VJDKWQWLWZLOOJ-HWWDLCQESA-N 482.383 2.269 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)CC2(F)F)n1 2282529183 CCSZGQAAJDZAEB-CQSZACIVSA-N 470.326 2.094 30 10 JEEE CCn1cc(C(=O)N2CC3(CC(NC(=O)OC(C)(C)C)C3)C2)nc1B1OC(C)(C)C(C)(C)O1 2282540997 RJBCRDFKRXAIFJ-UHFFFAOYSA-N 460.384 2.332 30 10 JEEE Cn1cc(C(=O)N2C[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]3C2)nc1B1OC(C)(C)C(C)(C)O1 2282547973 UMMSPRAOMGJUIN-CVEARBPZSA-N 460.384 2.048 30 10 JEEE C[C@@H]1CCCN(C(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)[C@H]1CNC(=O)OC(C)(C)C 2282551539 KBTKHKOIQSXZCV-WBVHZDCISA-N 462.400 2.485 30 10 JEEE Cc1nn(C)c(C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@H]3C2)c1B1OC(C)(C)C(C)(C)O1 2282565420 JOPXLGKBETXHEI-PMACEKPBSA-N 450.392 2.374 30 10 JEEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)C1 2282569688 VDVBFPQNSPMCIA-HZPDHXFCSA-N 462.400 2.485 30 10 JEEE Cc1ccnc(C(=O)N2CCOC[C@@H](NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2282573010 UAPIRBMYSLOYJP-INIZCTEOSA-N 461.368 2.055 30 10 JEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2CCCCN(Cc3ccccc3)C2)n1 2282627885 KLBXVZPVMLNOLT-IBGZPJMESA-N 453.396 2.146 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCCC12CN(C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)C2 2282677031 SPAQYPRKDNPOJH-MRXNPFEDSA-N 458.368 2.295 30 10 JEEE CC1(C)OB(c2ccc(C(=O)NC[C@@H]3CCCCN3C(=O)C(F)(F)F)c(O)c2)OC1(C)C 2282811115 URMNFYGVNVWPHQ-AWEZNQCLSA-N 456.270 2.365 30 10 JEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCCCC(C)(C)NC(=O)OC(C)(C)C 2282862934 KRDPYSWHPQZWPU-UHFFFAOYSA-N 486.444 2.081 30 10 JEEE COC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2c(cccc2B2OC(C)(C)C(C)(C)O2)C1 2283943205 VXPQHDQYXWBOBC-LJQANCHMSA-N 460.380 2.410 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N1C[C@@H](C)C[C@H](NC(=O)C(F)(F)F)C1 2285209072 REBADSRVMIGWJG-WFASDCNBSA-N 455.286 2.218 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCC(NC(=O)C(F)(F)F)CC2)c1 2286121532 SHQRKWKUGLIQLI-UHFFFAOYSA-N 456.270 2.278 30 10 JEEE COc1ccc(Cl)cc1C(O)=C1C(=O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccncc1 2296623257 XROTVPXVYDFALH-HXUWFJFHSA-N 457.914 2.498 30 10 JEEE CC(C)N1C[C@@H](c2nnc(SCC(=O)Nc3nccs3)n2N=Cc2cccn2C)CC1=O 2329020364 OIDUCBDJYDOSCQ-AWEZNQCLSA-N 472.600 2.410 30 10 JEEE NC(=O)CSc1nnc(CCOc2ccccc2)n1N=Cc1cc2c(cc1[N+](=O)[O-])OCCO2 2329175758 DLFNMBMRSSTRHO-UHFFFAOYSA-N 484.494 2.039 30 10 JEEE COC(=O)c1ccc(CSc2nnc(CNC(C)=O)n2N=Cc2ccc(O)c([N+](=O)[O-])c2)o1 2330752475 XDSYDZPHRRMWKW-UHFFFAOYSA-N 474.455 2.082 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@](Oc2ncc(Cl)cc2B2OC(C)(C)C(C)(C)O2)(C(N)=O)C1 2339444827 WCIKTJJNFXLZAF-NRFANRHFSA-N 467.759 2.278 30 10 JEEE COc1nc(O[C@@H]2C[C@H](NC(=O)OC(C)(C)C)[C@H]2OC)ccc1B1OC(C)(C)C(C)(C)O1 2339834295 HLXKTPRDWOBXCG-ZMSDIMECSA-N 450.341 2.449 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2C[C@H]1C[C@H]2NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2359280778 RLOYDVZDZQAZNT-XJNFMUPTSA-N 458.368 2.197 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(C(=O)OC(C)(C)C)CC2(CC2)C1 2362335615 MNBSEXFCGNVIRU-UHFFFAOYSA-N 460.384 2.192 30 10 JEEE CN(CCC#N)S(=O)(=O)c1ccc2[nH]cc(C(=O)N(Cc3ccco3)C[C@@H]3CCCO3)c(=O)c2c1 9495528 MHIMSXMYSXXNMH-SFHVURJKSA-N 498.561 2.477 30 10 JEEE Cc1nn(CCO)c(C)c1/C=N/Nc1nc(SCC(=O)NCCc2ccccc2Cl)n[nH]1 59887886 XCHDCXBOBBDLHT-FOKLQQMPSA-N 476.994 2.161 30 10 JEEE C#CCNC(=O)c1ccc2oc(N3CCN(S(=O)(=O)c4ccccc4Cl)CC3)nc2c1 248023069 VIFREIZUQSWSAF-UHFFFAOYSA-N 458.927 2.355 30 10 JEEE COC(=O)c1ccc(COc2ccc(C=NNC(=S)NCCN3CCOCC3)cc2OC)cc1 254519655 VGZHXLRMIIEZJB-UHFFFAOYSA-N 486.594 2.191 30 10 JEEE CC(C)NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1I 725444370 WYLDQZYICRWODU-UHFFFAOYSA-N 451.135 2.277 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)NCc2ccc(Cn3ccccc3=O)cc2)ccc1F 919870651 BLFROJALUFOXBC-UHFFFAOYSA-N 455.511 2.430 30 10 JEEE C#CCN(CC(=O)Nc1ccc(S(=O)(=O)Nc2nncs2)cc1)C(=O)OC(C)(C)C 1151160994 UZUAKIVIODHBQH-UHFFFAOYSA-N 451.530 2.148 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CC(=O)N(CCOC)C1 1286305822 PSTGRVIIBGTZFK-HCXYKTFWSA-N 474.606 2.002 30 10 JEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC([C@@H](O)c2ccc(F)cc2)CC1 1286343072 UBAXRQJGIGWHEA-JXFKEZNVSA-N 463.579 2.391 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1Cc1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1286385566 XVXIDQJCUXSDMF-GOSISDBHSA-N 455.540 2.234 30 10 JEEE C#CCN(c1nnc(-c2ccccc2)n1C[C@H](c1ccco1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1286387981 JMOQMLKBHTYCHC-WOJBJXKFSA-N 453.568 2.468 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CCN1CCOC(C)(C)C1)[C@H]1CCS(=O)(=O)C1 1286388532 QTDIZZNNOGCANV-FQEVSTJZSA-N 492.045 2.336 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1c(F)cc(F)c(F)c1F)[C@@H]1CCS(=O)(=O)C1 1286395705 TZCJIVSUWUDHLI-OAHLLOKOSA-N 493.486 2.495 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CC=CCC1 1286427482 IJVFKPAFPAJFFN-OAQYLSRUSA-N 468.602 2.311 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCCN(C(C)=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1286564466 VPSYQAQFHGPHTR-DPLHUUCSSA-N 461.607 2.359 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2(C(=O)NCC)CCC2)C1 1286799246 ULCADAWHQZZPJU-KRWDZBQOSA-N 453.547 2.013 30 10 JEEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCC(C(=O)NCc2ccc(C)c(F)c2)CC1 1286818079 TVIYFDLDAXMDOU-UHFFFAOYSA-N 463.579 2.168 30 10 JEEE CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 1299261794 GJUPYXHNBJUGNQ-LJQANCHMSA-N 481.601 2.244 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@H](C)CN1CCN(CC)CC1 1300321308 KJPDKUOYHVGJLA-RTBURBONSA-N 457.648 2.001 30 10 JEEE C#CCN(c1nnc(-c2c[nH]c3ccccc23)n1C[C@](C)(O)C(C)C)[C@H]1CCS(=O)(=O)C1 1300491863 JHXPAMJATRUPNR-SBUREZEXSA-N 455.584 2.460 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2Cc2ccc(NC(=O)N(C)C)cc2)n1 1300676340 MRNXUCWFHDGSJP-UHFFFAOYSA-N 450.547 2.211 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2CC(=O)N(C)Cc2ccccc2)CC1 1300712555 UODZMOQJJPNFSW-LJQANCHMSA-N 450.587 2.416 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)CC1 1300729328 VZQJJLSGUGYAAX-KRWDZBQOSA-N 458.607 2.452 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN2CCOC[C@H]2C1 1300733046 RADTVHIJGXHTQA-HXUWFJFHSA-N 454.600 2.034 30 10 JEEE C#CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1300751271 JSBWUIACCDIYDQ-GOSISDBHSA-N 455.584 2.387 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(OC(C)C)CC1 1300876430 SRGVLAPNEUOQOV-LNLFQRSKSA-N 455.625 2.263 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1301513850 AGWQPNBNPCFPCA-UHFFFAOYSA-N 469.590 2.098 30 10 JEEE C=CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC(=O)N(C)[C@@H](C)C1 1301611125 GQDHNKVTQRGXRS-IRXDYDNUSA-N 480.635 2.173 30 10 JEEE C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)NC[C@@H](O)[C@H](C)O)ccc1Cl 1301669616 DWEAMRASAUBMII-SCLBCKFNSA-N 456.923 2.332 30 10 JEEE CC(C)COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCOC[C@H]2C)CC1 1303212223 BKMXQFHLPODNCE-HXUWFJFHSA-N 481.601 2.452 30 10 JEEE CC(C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC2CCOCC2)CC1 1303457201 GYWMQGNCGFNDND-UHFFFAOYSA-N 465.602 2.280 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1Cc1ccnc(-n2cccn2)c1 1303805651 AGZKRSOCDQFJTM-QGZVFWFLSA-N 491.581 2.025 30 10 JEEE CC1(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCC(NS(C)(=O)=O)CC2)CC1 1303982075 GIZPYGJXYZSIIV-UHFFFAOYSA-N 458.588 2.437 30 10 JEEE CS(=O)(=O)CC1(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1316341515 HPCMFDIFNDPHPT-QGZVFWFLSA-N 471.356 2.302 30 10 JEEE C#CCNC(=O)CN1CCN(C(=O)c2nn(-c3ccccc3)cc2-c2ccc(OC)c(OC)c2)CC1 1329869919 HTNMIDXWIYIPAQ-UHFFFAOYSA-N 487.560 2.064 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCN1CCSCC1 1358875254 LZUXSMXSUCWPKX-INIZCTEOSA-N 461.661 2.053 30 10 JEEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(S(=O)(=O)CC)CC1 1358926760 BKIQHCBJIARTJF-UHFFFAOYSA-N 478.644 2.055 30 10 JEEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1358928675 IBWHHCNWTHWHRV-UHFFFAOYSA-N 479.633 2.449 30 10 JEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1358933757 DEQPQVNSMAROPL-UHFFFAOYSA-N 480.642 2.356 30 10 JEEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(Cl)cc1F)[C@@H]1CCS(=O)(=O)C1 1358957209 RCHLKZRCTKDEEN-XMSQKQJNSA-N 496.992 2.398 30 10 JEEE C#CCN(c1nnc(CSc2ccccc2OC)n1C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1358967685 QBAYXISUQIRWCK-MSOLQXFVSA-N 476.624 2.385 30 10 JEEE C#CCN(CC#CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCN1CCSCC1 1358996752 QPFMEUBIIQXQOG-UHFFFAOYSA-N 491.709 2.155 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCC(C)CC2)nc1 1359009286 LZPFSCBHVIXHMV-FQEVSTJZSA-N 456.616 2.319 30 10 JEEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccc(F)c2F)CC1 1359126852 BBKZLCFELBZXCM-MRXNPFEDSA-N 484.573 2.086 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@](C)(C(=O)NC)C1 1359293909 DDWRXYAJZKVVMT-FQEVSTJZSA-N 479.354 2.111 30 10 JEEE C=CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1359339868 SYPYZKSXNAVVNU-UHFFFAOYSA-N 499.622 2.376 30 10 JEEE C=CCSCCn1c(Cc2ccccc2OC)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1359343907 FKJPSEKJGXDZTE-UHFFFAOYSA-N 486.642 2.371 30 10 JEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 1446343619 UZDZWFZIOQMXRP-PWRODBHTSA-N 454.571 2.008 30 10 JEEE CN(C)S(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCCN(C(C)(C)C)CC1 1503405968 AJUVOLPRJWRDLJ-UHFFFAOYSA-N 459.620 2.019 30 10 JEEE CNC(=O)[C@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CN(CC(C)C)CCO2)C1 1503724384 BNIXVKSEQNASPS-PXDATVDWSA-N 465.602 2.136 30 10 JEEE COc1cc(Cl)ccc1-c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H]1CCS(=O)(=O)C1 1504102241 DBLUTRDLRXLYPI-DJJJIMSYSA-N 453.927 2.484 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2CC2([S@](C)=O)CCC2)c1 1507550413 ZFWBBUNKGWWKEC-XIFFEERXSA-N 463.567 2.093 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc2c(c1)OCO2 1507654104 VTOXIURRLLHUJW-LJQANCHMSA-N 479.537 2.436 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN(CC)C1CC1 1507664633 BUXQCTAVRAHWTK-UHFFFAOYSA-N 453.616 2.185 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC[S@](=O)C(C)(C)C 1507667959 SUJBYVDZJJMSMO-YTTGMZPUSA-N 474.656 2.248 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCCN1CCOCC1 1507668286 XQQMITIOERTSCT-UHFFFAOYSA-N 487.608 2.250 30 10 JEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)c2ccc(O)cc2)CC1 1507748020 ZDTPYFWGAUSLOV-INIZCTEOSA-N 491.639 2.060 30 10 JEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(Oc2cncc(Cl)n2)CC1 1507753864 JKTFQOQMULQXHP-OAHLLOKOSA-N 461.979 2.087 30 10 JEEE C=C(Br)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC(C(N)=O)CC1 1507775007 GAJBJVVTRWKOMI-UHFFFAOYSA-N 481.782 2.472 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1508086066 KRSBFYFOYNTEJE-FQEVSTJZSA-N 484.601 2.209 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 1508145539 MRSPNZOKQDYYBY-UHFFFAOYSA-N 488.658 2.228 30 10 JEEE CNC(=O)[C@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1CC1CCN(C(=O)OC)CC1 1517465538 BFSBMPYGXKWJES-QGZVFWFLSA-N 483.573 2.025 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CCN1CCN(Cc2ccccc2)CC1 1538975609 ALLQLMLHMZNMQQ-NVQXNPDNSA-N 466.630 2.206 30 10 JEEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](CC(N)=O)C1 1539126481 WFOLPNUGVASOBT-MSOLQXFVSA-N 460.579 2.092 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CC1(CCOC)CC1)[C@@H]1CCS(=O)(=O)C1 1539212337 VBWGKFCJFFNECF-HXUWFJFHSA-N 453.568 2.260 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCC(=O)NC1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1539216195 OXMSUMFEMISKMY-HXUWFJFHSA-N 484.626 2.114 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CCc1ccc(N(C)C)cc1)[C@H]1CCS(=O)(=O)C1 1539225311 MUPHPFDLCSQGGP-QHCPKHFHSA-N 478.622 2.199 30 10 JEEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(N2CCOCC2)nc1 1539378292 WWOUMWPZHDEXRS-UHFFFAOYSA-N 465.583 2.009 30 10 JEEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1539603688 VCPIWLYBMCZMOJ-AWEZNQCLSA-N 492.407 2.074 30 10 JEEE C=C1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC2(S(C)(=O)=O)CC2)CC1 1539847140 AKNMBFYLENYWJS-KRWDZBQOSA-N 481.619 2.320 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(N2CCCCCC2)nc1 1540071927 ISCLBGDHVLNNRW-FQEVSTJZSA-N 489.646 2.057 30 10 JEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)c2ccc(OC)c(OC)c2)CC1 1540673245 VUJPCDOVWYEMJG-GOSISDBHSA-N 459.543 2.295 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCN2C(=O)CC[C@H]2C1 1540862660 GOVJIHDJNOCRMN-RDJZCZTQSA-N 458.950 2.185 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CCC(S(C)(=O)=O)CC1 1540866881 DHCLVDLSXLCAMB-UHFFFAOYSA-N 482.404 2.023 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)Cc1c(C)nn(C)c1C 1540868409 DMVROPHBKLBSMX-UHFFFAOYSA-N 459.558 2.420 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(F)c(COC)c2)C1 1540893120 XOVUDXIIBBZFFC-HKUYNNGSSA-N 464.563 2.295 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC[C@H](C(N)=O)C1 1540899444 PAUPZGBDSLKPAH-CVEARBPZSA-N 477.656 2.434 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1540903182 ACPNRLWOORQEBH-SFHVURJKSA-N 491.017 2.234 30 10 JEEE CC(C)CCOc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC(=O)NCC(F)F)cc1 1541525036 DPTCKXIHESSMTJ-GOSISDBHSA-N 462.501 2.480 30 10 JEEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N2C[C@H](O)[C@@H](CO)C2)c1 1570213272 AJFDOKLTUWTKOF-UZLBHIALSA-N 450.944 2.147 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(C(=O)N(C)C)CCCC1 1587580783 RZSIOJQEPXGPMW-KRWDZBQOSA-N 457.600 2.455 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1nc(C(F)(F)F)cs1)[C@H]1CCS(=O)(=O)C1 1588064567 KQPDUJJSPYKJPS-HNNXBMFYSA-N 496.540 2.414 30 10 JEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CC(C)(C)N2CCC[C@H](C)C2)CC1 1588865361 VQWHZKUHNIJCFS-FQEVSTJZSA-N 452.651 2.405 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCOC2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1589546847 RUKXHSDHHWCTDB-FUDKSRODSA-N 474.650 2.144 30 10 JEEE C=C(C)Cn1c(Cc2ccccc2OC)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1593649815 BYWUJKCEXIXNBV-UHFFFAOYSA-N 480.613 2.394 30 10 JEEE C=C(Cl)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(N2CCNC2=O)CC1 1593833967 HNLHDODTOSMWJS-UHFFFAOYSA-N 464.979 2.095 30 10 JEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC=C(Br)C1 1594733626 WLWPKOWUNFFTHZ-HNNXBMFYSA-N 460.398 2.066 30 10 JEEE C=CCCOCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CC[C@H](C(N)=O)C1 1594807001 AYKDOVDIRQOPFZ-KRWDZBQOSA-N 465.558 2.140 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCn2nc(C)nc2C1 1595477689 XOBFBFGMTSSITQ-KRWDZBQOSA-N 450.547 2.257 30 10 JEEE C=CCNC(=O)Cn1c(N2CCOC(C)(C)[C@@H]2C)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1595602462 KUONVWMFYDPBDN-YESZJQIVSA-N 462.595 2.355 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCc2cc(OC)c(OC)cc2CC1 1595799397 ZQUDMBQFFUAETG-FQEVSTJZSA-N 490.626 2.395 30 10 JEEE C=CCn1cc(CNC(=O)CCNS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)nn1 1638491531 BLEPJJFQYJYPFL-UHFFFAOYSA-N 451.858 2.121 30 10 JEEE C#CCN(C(=O)Nc1ccc(OCCNC(=O)OC(C)(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 1670186811 VAQUQRBVHJXJPH-QGZVFWFLSA-N 451.545 2.244 30 10 JEEE COc1ccccc1[C@H](NC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1nccn1C 1681961115 BNBWGWBZRUFHFY-IRLDBZIGSA-N 458.522 2.490 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccc(F)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 1689988534 RCEPRCAIDMCTRC-MRXNPFEDSA-N 462.938 2.146 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC[C@H]1CCOC1 1690103309 BYEFBEGOMNQIJG-RBUKOAKNSA-N 463.579 2.099 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(C(=O)N3CCCC3)n2Cc2sc(C)nc2C)n1 1690107781 CGNXFUYJLKYMLO-UHFFFAOYSA-N 482.614 2.118 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@H](C)CN2CCCCC2)CC1 1690148889 YVUAQGNWHIXFBO-OAQYLSRUSA-N 463.630 2.352 30 10 JEEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1690183217 PYCOAROMTFKQDQ-QUCCMNQESA-N 450.568 2.058 30 10 JEEE C=C(Cl)Cn1c(C)nnc1N1C[C@H](NC(=O)OC(C)(C)C)C2(CCS(=O)(=O)CC2)C1 1690330015 ATBUVRYUSQMMPL-HNNXBMFYSA-N 460.000 2.247 30 10 JEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 1690674168 RCQPQAHXFQPIBY-SFHVURJKSA-N 498.588 2.476 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CC(=O)NCC(F)(F)F)C1 1690699312 CNFFQYFPYBIQQA-WMLDXEAASA-N 467.448 2.250 30 10 JEEE CC(C)N1CCC[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@H](C(N)=O)C2)C1 1692486201 FKHYJCSEAJTSDJ-WOJBJXKFSA-N 451.575 2.161 30 10 JEEE Cc1ccc(C(C)C)c(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@]2(O)CCS(=O)(=O)C2)c1 1693021130 IEVXLEFABZDART-PKTZIBPZSA-N 491.589 2.281 30 10 JEEE CC[C@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1Cc1ccc(C)n(C)c1=O 1694115253 CMXBUCQOUXJBIZ-INIZCTEOSA-N 463.590 2.087 30 10 JEEE CS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nccc(C(F)F)n2)C1 1698297627 BHSLPUNQTRJVMG-HNNXBMFYSA-N 459.482 2.216 30 10 JEEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@H](C(C)C)N1CCOCC1 1705500364 MBILJISOTPZFSK-AZGAKELHSA-N 493.700 2.458 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@H]1CSCCS1)[C@H]1CCS(=O)(=O)C1 1705565813 WMESAYUNKJVHJH-IRXDYDNUSA-N 478.665 2.429 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C1CC1)[C@@H]1CCS(=O)(=O)C1 1705566890 RNVQSFJXPUPNRU-SJLPKXTDSA-N 463.604 2.354 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1Cc1nccn1C(F)F)[C@@H]1CCS(=O)(=O)C1 1705571034 UZPBTBLDEFLADI-QGZVFWFLSA-N 490.536 2.144 30 10 JEEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2CCCN2CCN(CC)CC2)CC1 1705642180 JODPDALSPDBIKJ-UHFFFAOYSA-N 479.673 2.257 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@@H]2CCN(CC(F)(F)F)C2)CC1 1705649175 NCARMNWUBHPFSX-QGZVFWFLSA-N 475.519 2.190 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCC[C@@H](COC)C1 1705700011 NVEIRTMCDAABLT-WTGUMLROSA-N 452.621 2.414 30 10 JEEE C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)Nc2c(C)cccc2C)CC1 1705720827 SMUICFBJPHAUDQ-UHFFFAOYSA-N 465.602 2.468 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(=O)c2ccccc2)CC1 1705737527 UDWMXEPPNJBJTA-NRFANRHFSA-N 487.626 2.125 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(CCC(C)(C)C)CC1 1705896204 FFDITMRVTRZUIW-UHFFFAOYSA-N 488.658 2.209 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1705897662 QXOKLDGEUAESFB-GJZGRUSLSA-N 498.481 2.364 30 10 JEEE C=CCOc1ccc(Cn2c(-c3cnn(C)c3)nnc2N2CCC(S(C)(=O)=O)CC2)cc1 1705909668 DMPVMLFWFZNMIU-UHFFFAOYSA-N 456.572 2.305 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCc2cc(OC)c(OC)cc2C1 1705932798 ZZXQENWWDAPAAJ-UHFFFAOYSA-N 457.556 2.454 30 10 JEEE CC(=O)Nc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N(C)Cc2ccc(C#N)cc2)cn1 1706006793 AFEYUDMUDKKMRA-UHFFFAOYSA-N 458.526 2.424 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cccc(Cn2ccnc2)c1 1708756571 DTGHRKCIGVYWTI-NRFANRHFSA-N 462.558 2.218 30 10 JEEE COCCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1712454465 GXTDDMWTXXQZTG-ZWKOTPCHSA-N 475.594 2.243 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H](C(CC)CC)N(C)C)[C@H]1CCS(=O)(=O)C1 1722359759 ATRXKQQDUUMYOC-LEWJYISDSA-N 458.632 2.333 30 10 JEEE C#CCN(c1nnc(C2CCC2)n1C[C@@H](CC)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1722369318 XOGFPASSKNYDKK-MSOLQXFVSA-N 465.620 2.476 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(C)c(Br)c2)n1Cc1cn(C2COC2)nn1 1722379417 HUOYYIVGMKLGTP-UHFFFAOYSA-N 466.343 2.300 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1CCc1ccc(OC)c(Br)c1 1722381200 KQBZHQNMZNLDKJ-KRWDZBQOSA-N 456.344 2.316 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(Br)c3)n2CCCN(C)CCOC)CC1 1722433427 UZRSSNSDVWTFRN-UHFFFAOYSA-N 475.435 2.431 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CCS(=O)(=O)CC)CC1 1722434601 RTIOKWLWSGXTRB-UHFFFAOYSA-N 480.432 2.206 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCc2nc(C(F)(F)F)cs2)CC1 1722441777 UNEPELPLIUQSDX-YJBOKZPZSA-N 484.548 2.475 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC(C)(C)SC)CC1 1722443503 KLTHUDNNMBKGCJ-HSZRJFAPSA-N 463.648 2.426 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)N(C)c1ccccc1 1722475410 UYRFOYFMWCBIEI-XZDHIHRUSA-N 486.642 2.128 30 10 JEEE C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC1CC1)C1CCC1 1722483932 FEUABDIWRRGVST-MRXNPFEDSA-N 474.425 2.289 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCC[C@H]2c2ccco2)nnc1[C@@]1(OCC)CCOC1 1722731266 IQRMDPHWIYEDIZ-LAUBAEHRSA-N 450.561 2.466 30 10 JEEE CC(C)(C)[S@@](=O)CCn1c(-c2cccc(C#N)c2)nnc1N(CCS(C)(=O)=O)C1CC1 1723018860 FKFQTAGQAADBAH-PMERELPUSA-N 463.629 2.377 30 10 JEEE Cc1ccc(OCc2nnc(N3CCN(c4cc(C#N)ccn4)CC3)n2CCCS(C)(=O)=O)cc1 1724433721 AFDRGGICWXWWMC-UHFFFAOYSA-N 495.609 2.194 30 10 JEEE CCS(=O)(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)COC)CC1 1729216585 IEFVMXBUCFQJDK-UHFFFAOYSA-N 460.604 2.397 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CCSCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1740623984 BPWHYYVFGDEENQ-MRXNPFEDSA-N 473.546 2.186 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC(C)(C)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1740626435 XLPGXDCWKKWUJN-OAQYLSRUSA-N 487.674 2.031 30 10 JEEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(NC(=O)N(C)C)cc1 1740631936 NHHFTLUIJBNZJK-DEOSSOPVSA-N 450.543 2.145 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1cnccc1OC 1740664512 SWHMROXEQLKODE-UHFFFAOYSA-N 454.556 2.107 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2CCCNC(=O)C2CCC2)CC1 1740704121 KTRPOEXJYFKYOQ-UHFFFAOYSA-N 478.597 2.226 30 10 JEEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@H](CN2CCOCC2)C1 1740714287 YPENWJGUFHHGEP-LJQANCHMSA-N 471.627 2.487 30 10 JEEE C#CCSCCn1c(Cn2ccc3ccccc32)nnc1N1CCC(OCC(N)=O)CC1 1740719349 CQISYUMZJZOROJ-UHFFFAOYSA-N 452.584 2.118 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(OCC(N)=O)CC1 1740755791 MEQSHCHPOGXEEY-KNQAVFIVSA-N 450.543 2.269 30 10 JEEE C=CC[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1)c1ccccc1 1740856350 SGVRJKCLBHAMSL-NRSPTQNISA-N 486.642 2.355 30 10 JEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1740887571 KEBMYYKPBFULJB-LEWJYISDSA-N 471.583 2.222 30 10 JEEE C=CCCOCCn1c(-c2cc(Br)cn2C)nnc1N1CCNC(=O)[C@@H]1CC 1740888965 KTCOINYWYUGPOX-HNNXBMFYSA-N 451.369 2.354 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(c2ncc(F)cn2)CC1 1740952452 FEIMQJYVIGNBQZ-INIZCTEOSA-N 484.511 2.115 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1740963684 UCBWQHHPPVBEQT-LJQANCHMSA-N 467.530 2.045 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCN(C(=O)c2c(F)cccc2F)CC1 1740992168 MPELKNYXKXXVRW-UHFFFAOYSA-N 481.569 2.318 30 10 JEEE CC(C)(Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1)c1cccc(F)c1 1741250951 CEDIJJPUPRNEJD-HXUWFJFHSA-N 490.605 2.468 30 10 JEEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(OCCN2CCCC2)cc1 1748680926 YXOBCMDCDFELBS-FQEVSTJZSA-N 450.587 2.381 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)C)n2C[C@H](C)N2CCN(CC)CC2)c1 1748691636 IBHGSVDBEOSHBM-FQEVSTJZSA-N 451.619 2.484 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCOc2ccc(F)c(Cl)c2)CC1 1749010630 UEGQCSYDCAMTSL-IBGZPJMESA-N 488.951 2.067 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1749115029 KNHBDYMXNDISBB-ZVDOUQERSA-N 458.607 2.380 30 10 JEEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1749241250 HIPADNOVJOTTRI-LEDOBFOHSA-N 460.579 2.080 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@]2(C)CN(C)C2=O)C1 1749693959 MXFURDQNOHZENS-NTKDMRAZSA-N 452.559 2.407 30 10 JEEE COCCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1CCc1cc(C(F)(F)F)ccn1 1749830009 CWRYYNVJOOQVCK-MRXNPFEDSA-N 451.453 2.252 30 10 JEEE CC(C)NC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(OC[C@H]2CCOC2)CC1 1750991894 AUAHSWAZQAVWCP-IBGZPJMESA-N 452.559 2.363 30 10 JEEE C[C@@H]1CN(C(C)(C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCNC(=O)CC2)C[C@@H](C)O1 1752268195 BLVUPJXMUPSDHE-QZTJIDSGSA-N 451.575 2.031 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1cccc(Cl)c1C)[C@H]1CCS(=O)(=O)C1 1760182168 HOOKAODDMHOWJT-KRWDZBQOSA-N 463.991 2.053 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCCN1CCN(CC)CC1 1760201572 FMENZKPJFKGDIF-UHFFFAOYSA-N 472.597 2.084 30 10 JEEE C#CCN(CC#CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCN1CC=CCC1 1760221721 HTZFWIMWCYDWDM-UHFFFAOYSA-N 471.653 2.368 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1cccc(OC)c1)N1CCCC1 1760234038 RYFLOFKYXWOARU-IFMALSPDSA-N 471.627 2.485 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2Cc2nnc(C)s2)CC1 1760267173 IELWGZCDPHBUKW-UHFFFAOYSA-N 481.582 2.136 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCCN(C)C2CCCCC2)CC1 1760269166 AROAMIFOINIIHU-OAQYLSRUSA-N 456.635 2.402 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(NC(=O)OC)c1 1760295103 NCIUXFGUAAEPOR-VGOFRKELSA-N 457.556 2.399 30 10 JEEE C=C(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1760345074 FQZFPIAXSZQIFX-UHFFFAOYSA-N 457.560 2.030 30 10 JEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H](C)N1CCCCC1)C1CC1 1760477226 TXMRZZFURULFMS-AZUAARDMSA-N 466.652 2.030 30 10 JEEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1760510208 LAHWSCLRNDEFJU-GOSISDBHSA-N 498.650 2.071 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccccc2Cl)C1 1760542562 IMUNIGZCBJOUOT-IEBWSBKVSA-N 482.006 2.094 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)OCC)CC1 1760552330 KKWKTUQCDIRTAN-UHFFFAOYSA-N 467.979 2.478 30 10 JEEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N(C)C2CCCCC2)CC1 1769922691 HXJFTSCEMJWGJQ-UHFFFAOYSA-N 495.628 2.288 30 10 JEEE CC(C)(NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 1866858407 PACJJNWLMAWDJY-SFHVURJKSA-N 489.623 2.206 30 10 JEEE C=CCN=c1nc(N2CCN(c3ncccn3)CC2)[nH]c(=Nc2ccc(Cl)c(Cl)c2)[nH]1 1871485963 WEOCNPKXQZTOFC-UHFFFAOYSA-N 458.357 2.480 30 10 JEEE CCOC(=O)c1sc(C2=C(N)N(CCN3C(=O)CSC3=O)CC2=O)nc1-c1ccccc1 1872795868 BDPXLCZGIXBWKA-UHFFFAOYSA-N 472.548 2.194 30 10 JEEE CCCNC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1ccc(OC)c(O)c1 1874338496 SDPBFJNCQOJHEL-PZLKWIMZSA-N 474.587 2.217 30 10 JEEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)[C@H]3CC(=O)N(C4CCCCC4)C3)CC2)CC1 1889423334 SFGUKXKKEJBMDB-QHCPKHFHSA-N 472.674 2.205 30 10 JEEE CN(CC(=O)N1CCC(Oc2ncccc2C#N)CC1)c1nc2c(S(C)(=O)=O)cccc2s1 1891866663 UUHBEJIJYDVQKT-UHFFFAOYSA-N 485.591 2.473 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O 2069351051 KGVLOEGDMOEFEW-IXDOHACOSA-N 454.568 2.450 30 10 JEEE Cc1nc(C)c(B2OC(C)(C)C(C)(C)O2)c(N2C[C@H]3[C@@H](C2)OCCN3Cc2ccccc2)n1 2172782127 NBEAYXJNZBPROI-LEWJYISDSA-N 450.392 2.482 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCN(CC(=O)NCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2185152010 SKKHKCPDJVSWAN-LJQANCHMSA-N 459.396 2.201 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@@H]2NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2255941367 IDPRAVWJPSOCHN-IVMMDQJWSA-N 470.422 2.333 30 10 JEEE CC[C@H](C)[C@@H](C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)N(C)C(=O)OC(C)(C)C 2256599090 UKXGYEJJAMQLAI-STQMWFEESA-N 454.402 2.479 30 10 JEEE C[C@H](NC(=O)[C@H](O)[C@@H](C)NC(=O)OC(C)(C)C)c1cscc1B1OC(C)(C)C(C)(C)O1 2256613349 ISICLTKLRUMNEN-WOSRLPQWSA-N 454.398 2.499 30 10 JEEE CC(C)(C)OC(=O)NCC1(NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)CCOCC1 2267191319 AXNVPIYDQWSNIS-UHFFFAOYSA-N 450.341 2.383 30 10 JEEE CC(C)(C)OC(=O)N=c1[nH][nH]cc1CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2267369410 WVJUUXYWDQWXQZ-UHFFFAOYSA-N 484.409 2.018 30 10 JEEE C[C@@H](CN(C)C(=O)OC(C)(C)C)N(C)S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2267722098 UIKDZDFNUQVEJW-HNNXBMFYSA-N 469.413 2.257 30 10 JEEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)[C@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C 2268627951 AKFCXSUCWVYVMQ-GDBMZVCRSA-N 466.409 2.376 30 10 JEEE CC(C)(C)OC(=O)N1[C@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C[C@H]2CCC[C@@H]21 2268636592 FMSSCHDIWBOINM-RDBSUJKOSA-N 464.397 2.376 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CC(N)=O)C(=O)Nc1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2268652737 IKRRQMQKYPYLBH-OAHLLOKOSA-N 467.759 2.346 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 2282045169 YSXQMHFWYUKDDD-QHCPKHFHSA-N 460.384 2.192 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2CN(Cc3ccccc3)C[C@]2(C)C1 2282051447 UEIUDMJWZLFIEC-KBMIEXCESA-N 450.392 2.313 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](NC(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)C[C@@]2(C)C1 2282064433 ZWSIQKJGGBFQLJ-NPGVVQFXSA-N 460.384 2.474 30 10 JEEE CN(Cc1ccccc1)[C@]1(CNC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)CCOC1 2282188530 XCFRUHNMNZVJEP-VWLOTQADSA-N 451.376 2.402 30 10 JEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282190121 OIQYISTYLPSCKR-QZTJIDSGSA-N 461.368 2.135 30 10 JEEE CC(C)(C)OC(=O)NCCOCCCNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2282345596 QCBPSWQZXSOYOP-UHFFFAOYSA-N 484.424 2.196 30 10 JEEE CC1(C)OB(c2cccc(S(=O)(=O)NC[C@H]3COCCN3Cc3ccccc3)c2)OC1(C)C 2282347210 UUMVMCCGEIPXPW-NRFANRHFSA-N 472.416 2.165 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@H](CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2282396130 VPHGFDXZJBONFL-INIZCTEOSA-N 464.343 2.491 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1 2282538829 LHRBJULTZLMBTJ-QHCPKHFHSA-N 462.400 2.486 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCCOCCCNC(=O)OC(C)(C)C)n1 2282553680 SKUXURPEYKINNA-UHFFFAOYSA-N 463.384 2.350 30 10 JEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@]1(CO)CCCN(C(=O)OC(C)(C)C)C1 2282560034 CLSBCSIFLVKNGI-QHCPKHFHSA-N 464.368 2.379 30 10 JEEE COC(=O)[C@]1(NC(=O)OC(C)(C)C)C[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2282592878 JITUBAXJWHDBDM-CAJLXGCNSA-N 480.392 2.376 30 10 JEEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CN(C(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)CCO1 2282665363 PCRCHJGXLBGFMQ-WBVHZDCISA-N 461.368 2.135 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1CN2S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282845192 OMWNOIGHSHELGY-LSDHHAIUSA-N 499.464 2.356 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)[C@@H]1C1CC1 2283069314 QVBZDBCVERMZFJ-WBVHZDCISA-N 458.368 2.294 30 10 JEEE COc1ccc(NC(=O)[C@@H](CN(C)C)NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2284069532 SUERIPLUDHSVJU-GOSISDBHSA-N 463.384 2.388 30 10 JEEE CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)c1ccoc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2289799712 BKHMIJFRBZZXCU-HNNXBMFYSA-N 466.340 2.457 30 10 JEEE COc1ccc(C(O)=C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccco2)cc1OC 2296928138 SNKZXFXJFFZFLG-OAQYLSRUSA-N 456.495 2.441 30 10 JEEE C=CCC1(N[C@]2(C(=O)O)CCOC[C@@H]2NC(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)C1 2325128169 QDAVNBWCQCJJJH-OYHNWAKOSA-N 455.552 2.279 30 10 JEEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@@H](NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)[C@H]2F 2359265685 ICGPMIAEAGDPBG-DMRZNYOFSA-N 464.347 2.317 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C12CCC2 2362460453 FFCKLPBEYOQUOJ-HUUCEWRRSA-N 460.384 2.285 30 10 JEEE Cc1cc(CNC(=O)CN2CC(NC(=O)OC(C)(C)C)C2)cc(B2OC(C)(C)C(C)(C)O2)c1 2369679324 NCUMVMAVJUFISH-UHFFFAOYSA-N 459.396 2.119 30 10 JEEE Cc1ccc(S(=O)(=O)N/N=C2\C(=O)N(CCN3C(=O)c4ccccc4C3=O)c3ccccc32)cc1 59166009 LZQIHFXDTMXXIX-ROMGYVFFSA-N 488.525 2.320 30 10 JEEE C=CCn1c(SCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)nnc1C(C)C 59911011 HUKYGUXZNYSRSR-UHFFFAOYSA-N 465.601 2.339 30 10 JEEE CO[C@@H]1[C@H](C)O[C@H](OC[C@@]23C[C@H]4[C@H](CC[C@H]4C)[C@@]4(C=O)C[C@H]2C=C(C(C)C)[C@]43C(=O)O)[C@H](O)[C@H]1O 255992032 OGGVRVMISBQNMQ-KSBVRPOOSA-N 492.609 2.409 30 10 JEEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CCC(=O)N(CCCC)[C@H]2c2ccc(OC)cc2)CC1 516388895 XWRSQMBNIXXFNK-RDGATRHJSA-N 470.614 2.221 30 10 JEEE C=CCN(C(=O)c1ccc2c(c1)S(=O)(=O)N(C1CC1)C2=O)c1nc(C(=O)OCC)cs1 749127327 CKLXLYWOMZSXKD-UHFFFAOYSA-N 461.521 2.460 30 10 JEEE C#CC[C@@H](NC(=O)[C@H](CCN(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 757565528 YJXZORXFRJHJMR-XZOQPEGZSA-N 463.534 2.438 30 10 JEEE NC(=S)N1N=C(c2ccc([N+](=O)[O-])cc2)C(=NNc2ccc(S(=O)(=O)O)c3ccccc23)C1=O 1084399757 YNTZHSPQWFWJGH-UHFFFAOYSA-N 498.502 2.253 30 10 JEEE N#CCOc1cccc(CNC(=O)CCNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)c1 1146419076 GZLJTOCGRUGRDF-UHFFFAOYSA-N 457.430 2.472 30 10 JEEE C=CC(C)(C)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2OC)CC1 1158859298 WARIDZOMOCYDGP-UHFFFAOYSA-N 457.980 2.043 30 10 JEEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccccc2C(=O)N[C@H]2CC[C@H](O)CC2)cc1 1163345400 KXBOASUOWRFEJQ-IYARVYRRSA-N 457.552 2.437 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1CC(C)(C)N1CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1286387545 SDQAOMJPEMDRQO-PMACEKPBSA-N 472.659 2.421 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1CCCOc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1286388742 BDYNPNBYTUODRA-LJQANCHMSA-N 466.567 2.139 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccc(CSC)cc1)[C@@H]1CCS(=O)(=O)C1 1286389321 HZCVZDVETFCCMV-HXUWFJFHSA-N 470.624 2.217 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2C[C@H](C)CN2CCOCC2)CC1 1286489006 BINGPLMCCITMEE-HXUWFJFHSA-N 464.614 2.188 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](c2cccnc2)C(C)C)CC1 1286490716 PSKQLGCNXSFZSO-SFTDATJTSA-N 463.586 2.030 30 10 JEEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1286499410 HFRFUZZVXNPIBY-UFRUDQCGSA-N 460.625 2.312 30 10 JEEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(Cc2cc(OC)cc(OC)c2)CC1 1286507690 BRRFCTIWVAMQMI-HXUWFJFHSA-N 471.627 2.488 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CCOCC)[C@H](CC)C1 1286546712 LGCCJLLANICJCD-BDTNDASRSA-N 474.650 2.432 30 10 JEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Oc1cccc(F)c1)C1CC1 1286736423 DZVXKOVKAVZDTG-OXQOHEQNSA-N 479.578 2.372 30 10 JEEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1286780348 NHTYERZOXGYDLJ-XXBNENTESA-N 457.600 2.137 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1286817777 XRBUIJMMBVXAFB-NRFANRHFSA-N 470.599 2.265 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(Cc1cccs1)C1CC1 1286820519 MRZGCXMJJYPGCT-HNNXBMFYSA-N 470.642 2.012 30 10 JEEE C[C@H](CC#N)N(C)c1nnc(CN2CCCC2=O)n1Cc1ccccc1CN1CCC(O)CC1 1288529343 HOIZAEMEXOIYNF-LJQANCHMSA-N 465.602 2.144 30 10 JEEE C[C@H](CC(=O)NCc1cccnc1OCC(F)(F)F)/N=C1/NS(=O)(=O)c2ccccc21 1290825969 HKLNCYJUKDBUQE-GFCCVEGCSA-N 456.446 2.156 30 10 JEEE CC[C@@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CC1(S(C)(=O)=O)CCCC1 1291599192 HBGIPVLYDKXDHQ-QGZVFWFLSA-N 488.662 2.389 30 10 JEEE Cn1cc(-c2nnc(N3CCO[C@@H](c4cccc(C#N)c4)C3)n2CCNC(=O)C(C)(C)C)cn1 1298817992 BMLICERIGXAZSW-HXUWFJFHSA-N 462.558 2.290 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2c(c1)[C@@H](C)[C@H](C)O2 1300307518 GAQPOJBQVDGBEM-IAGYGMIVSA-N 473.599 2.002 30 10 JEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C2CC2)C1 1300339980 UERNJNVPVDYXKJ-NZSAHSFTSA-N 494.662 2.431 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H](C1CCCCC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1300495364 GHNYFGUZENYZCZ-FSSWDIPSSA-N 477.675 2.309 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1Cc1ccc(CN2CCC(O)CC2)cc1)[C@@H]1CCS(=O)(=O)C1 1300495453 HUJYEFIBFBRAPJ-HSZRJFAPSA-N 499.681 2.108 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@H](C)N1CCN(CC)CC1 1300577775 BINWJUAPPQWJAZ-ZJSXRUAMSA-N 462.598 2.280 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCn1ccnn1 1300594920 CXGLDWTWKDICAK-IBGZPJMESA-N 452.563 2.495 30 10 JEEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc([S@@](C)=O)cc1 1300830553 GYTURXGFLXLUOR-PFUSGODGSA-N 490.449 2.171 30 10 JEEE C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(CC(=O)N2CCN(CC)CC2)CC1 1300927545 NRBPLHWWMWLTSN-UHFFFAOYSA-N 480.617 2.272 30 10 JEEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1300972830 QMNCPJSSMKKEEP-UHFFFAOYSA-N 457.535 2.244 30 10 JEEE C=C(Cl)Cn1c(Cc2csc(C)n2)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1301047118 BFICAVZMUXCLMJ-INIZCTEOSA-N 460.025 2.416 30 10 JEEE C=CC1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)CC1 1301107996 LGPLNOOXVHYABU-IBGZPJMESA-N 454.550 2.400 30 10 JEEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@H](NC(C)=O)C1 1301206950 MDDOURDKRJXCFC-IBGZPJMESA-N 460.604 2.267 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1301480738 DOLOWQUFAOFLKD-YLJYHZDGSA-N 485.976 2.476 30 10 JEEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 1301498233 LQSLIDXQKPBOGR-FPOVZHCZSA-N 471.650 2.055 30 10 JEEE C=CCNC(=O)Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCS(=O)CC1 1301510428 XVWNXBCNKNGGKN-UHFFFAOYSA-N 466.007 2.122 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCO[C@@H](COC)C1 1301568060 CNMKZCUPHDCJJV-GOSISDBHSA-N 471.583 2.254 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@](C)(C(=O)NC)C1 1301593569 PTUHKIFTISYXRC-QHCPKHFHSA-N 475.615 2.037 30 10 JEEE COCC[C@](C)(O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1315966670 GGGARUODUPDPRT-QHCPKHFHSA-N 451.531 2.227 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2cccc(OC)c2)CC1 1359038188 MYGNZNWJTDUAPE-UHFFFAOYSA-N 450.568 2.082 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(N(CC)CC)nc2)CC1 1359044653 LDYJXYFGGGRPAH-QFIPXVFZSA-N 479.629 2.427 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1CCN1CCOCC1(C)C 1359073355 MPXVLKKQZKTDDY-HSZRJFAPSA-N 456.616 2.373 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCCCC2)CC1 1359091856 UAQQCIIHUCSQIC-ZVDOUQERSA-N 480.679 2.324 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCS(=O)(=O)C1 1359260310 ZQYJSJJXZMETPX-QGZVFWFLSA-N 461.563 2.281 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1359292547 RUZRSGXKYZENPS-QRQCRPRQSA-N 474.949 2.405 30 10 JEEE CC(C)(C)[S@@](=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@@H](C#N)C1 1359588024 HKLAYZHIGRSYLK-CEXHIMGSSA-N 455.382 2.312 30 10 JEEE C#CCN1CCN(C(=O)CN(Cc2ccccn2)C2CCN(C(=O)OC(C)(C)C)CC2)CC1 1460306265 USLFNOVUZZPAHB-UHFFFAOYSA-N 455.603 2.061 30 10 JEEE CCCC(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2COCCO2)C1 1499924357 HWGLNWCGLPBGCR-TZIWHRDSSA-N 452.559 2.365 30 10 JEEE CN1CC[C@](O)(Cn2c(CC(C)(C)C)nnc2N2CCN(c3ccc(C#N)cc3F)CC2)C1 1503677442 ADKFZWVCQUGPOI-XMMPIXPASA-N 455.582 2.271 30 10 JEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(CC(=O)Nc2cccc(C)c2C)CC1 1507744716 VUJOJXFMGNEAOA-UHFFFAOYSA-N 497.669 2.160 30 10 JEEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(Cc2cc(OC)cc(OC)c2)CC1 1507750514 XHKIUQIQQWBCBY-UHFFFAOYSA-N 481.626 2.384 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Oc1ccccc1F 1507773506 RVZLYIPFNMYLHG-HCLVMJGWSA-N 491.589 2.210 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1507793918 CHCJSHRAIPEDOK-QRQLOZEOSA-N 461.544 2.458 30 10 JEEE C=C(C)Cn1c(Cc2csc(C)n2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1507832665 LDUYXYKHXQXFBX-NRFANRHFSA-N 459.664 2.441 30 10 JEEE C=CCCOCCn1c(-c2cccnc2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1507959613 FRGVRNFEQFMVDG-UHFFFAOYSA-N 467.618 2.457 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCOC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1508008332 NFPYMPHKYPWSSL-IRXDYDNUSA-N 451.618 2.318 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCC[C@@H](n3nc(C)cc3C)C2)nnc1[C@@]1(OCC)CCOC1 1508149712 WNUVYMLLNJPVKY-NFBKMPQASA-N 492.646 2.186 30 10 JEEE CC(=O)N1CCC[C@H](Cn2c(CC(C)C)nnc2N2CCN(c3ncccc3C#N)CC2)C1 1508214884 JSLLAGIJIOVDDB-FQEVSTJZSA-N 450.591 2.328 30 10 JEEE COCC(C)(C)CCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(C#N)C1 1518673293 AJWLADLTIZDEQT-AVRDEDQJSA-N 482.651 2.194 30 10 JEEE COCC1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H](CNS(C)(=O)=O)C2)CCC1 1518792406 ACMBQXPOEAVLNS-IBGZPJMESA-N 472.615 2.399 30 10 JEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCc1nnc(C)s1 1539179891 TWOKUJLNKPUBSZ-INIZCTEOSA-N 461.592 2.449 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CCOc1ccc(F)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1539226519 ZPGUKTXOSVABIP-GOSISDBHSA-N 487.532 2.248 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCc1scnc1C 1539246892 YRFRPOMHGHHVDQ-UHFFFAOYSA-N 468.608 2.276 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cccc(C#N)c1 1539617899 ZGIJSFSWBIDKFR-UXPWSPDFSA-N 458.588 2.378 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(F)F)CC1 1539644734 ILOGKTIUQJDHOD-UMGGQSCQSA-N 455.550 2.370 30 10 JEEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(C(N)=O)cc1 1540077441 LREULPJKTBAXBU-GOSISDBHSA-N 456.547 2.356 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1540874297 AZRBDBGYVFZSQK-SFTDATJTSA-N 455.559 2.160 30 10 JEEE C=CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCO[C@H](COC)C1 1540913994 ZTTNLXHPWYUQGJ-KRWDZBQOSA-N 470.599 2.446 30 10 JEEE CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2Cc2cc(Br)ccc2OC)CCOC1 1547918459 FNHRUAMIWNNZEX-UTKZUKDTSA-N 492.374 2.478 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2CC(F)(F)C2)c1 1587692928 MNHNNWXBDOSXQW-KRWDZBQOSA-N 477.537 2.282 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccccc1OC)[C@H]1CCS(=O)(=O)C1 1588034648 JVNGQEIRDSBICG-RDPSFJRHSA-N 488.610 2.002 30 10 JEEE C#CCN(c1nnc(-c2cnn(-c3ccccc3)c2)n1CCN(C)[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1588049413 GISDYNRRWXAJBR-NFBKMPQASA-N 495.653 2.488 30 10 JEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1CCc1noc(CC)n1)[C@H]1CCS(=O)(=O)C1 1588058805 CSVYTVRWGUCHIB-SFHVURJKSA-N 489.001 2.337 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cc(Br)cn3C)n2CC(C)(C)O)n1 1588723941 RCUVFJADTBYUCY-UHFFFAOYSA-N 490.406 2.300 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC(C)(C)C(=O)NCC)CC1 1588742595 SYCDNMTZWCJMDW-SFHVURJKSA-N 456.566 2.475 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCOCCC(C)C)CC1 1594097401 SLEGDTQNKVKBCA-IBGZPJMESA-N 455.625 2.220 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC(CO)(Cc2ccccc2)CC1 1595561739 AKACHWCCFJVHFZ-UHFFFAOYSA-N 460.582 2.388 30 10 JEEE C[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1)N(C)Cc1ccccc1 1611583596 GYXLPJDYDFZCLK-JUXOCIIHSA-N 460.579 2.143 30 10 JEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC([C@@H]2C(=O)Nc3ccccc32)CC1 1632084095 BWMOCKOOCMTXKA-BTYIYWSLSA-N 452.536 2.200 30 10 JEEE C#CCNC(=O)CN1CCN(C(=O)c2nnn(-c3ccc(C(C)(C)C)cc3)c2CCC)CC1 1634876462 QAOYFICNYFFJPB-UHFFFAOYSA-N 450.587 2.025 30 10 JEEE C#C[C@@H](NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)c1ccccc1 1639902338 FQRUOCXKCVAAJO-JOCHJYFZSA-N 453.564 2.099 30 10 JEEE C=CCc1ccc(OCC(=O)N[C@H](Cc2ccccc2)C(=O)N2CCN(C)CC2)c(OC)c1 1645145718 ZOIGHEKSWDPAHN-JOCHJYFZSA-N 451.567 2.304 30 10 JEEE C#CCOc1ccc(NC(=O)N2CCN([C@H]3CCCN(c4cc(C)nn4C)C3=O)CC2)cc1 1667082883 LMQHYGAAEGVENM-NRFANRHFSA-N 450.543 2.086 30 10 JEEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1689915360 YUWLOSWPEPNXQH-QGZVFWFLSA-N 498.447 2.490 30 10 JEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCC(=O)N1CCCCCC1 1690017806 MFDMHZBQRLRLQB-UHFFFAOYSA-N 474.613 2.318 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(C)c(Br)c2)n1CCC[C@@H]1NC(=O)NC1=O 1690038039 AIEHMGVMUJJDNL-SFHVURJKSA-N 483.370 2.467 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@](C)(O)c2ccccc2Cl)CC1 1690113896 XLBXCEBUIPLAAM-RPWUZVMVSA-N 474.005 2.247 30 10 JEEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1ccsc1 1690174431 DBCNGMSFGZGVOD-QZTJIDSGSA-N 481.669 2.380 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(NC(C)=O)CC1 1690239390 VTBOIMPVBKJYQV-SIKLNZKXSA-N 487.626 2.435 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCCCO2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1690311317 HPOMEVGISKHOAI-IBGZPJMESA-N 455.625 2.363 30 10 JEEE C=CCCCn1c(-c2ccc[nH]2)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1690478956 PFBRRZFELHUOQU-NXHRZFHOSA-N 476.603 2.366 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c(-c2cccn2C)nnc1N1CCN2C(=O)NC[C@@H]2C1)C(C)C 1690580675 CZWPJMNXKZXARS-CTNGQTDRSA-N 452.607 2.196 30 10 JEEE C=CCn1c(C2CC2)nnc1N1C[C@H](NC(=O)OC(C)(C)C)C2(CCS(=O)(=O)CC2)C1 1690640839 JXNLRXOMEXTAAI-INIZCTEOSA-N 451.593 2.250 30 10 JEEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN(c2nc(C)cs2)CC1 1690675211 SBIWGPNVIMTLTO-UHFFFAOYSA-N 481.626 2.466 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H]1c1ccccc1OC 1690723619 WXRCEIOEQYWITR-QZTJIDSGSA-N 459.572 2.180 30 10 JEEE C=CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1690748903 LEGGAAIVSMKYOD-SFHVURJKSA-N 458.563 2.400 30 10 JEEE CNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC1 1696954448 HUGMWAMCGCINQI-LJQANCHMSA-N 491.518 2.042 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1ccc([C@@H](C)O)cc1)[C@H]1CCS(=O)(=O)C1 1705566103 XRLNABHHJHKVTK-XLIONFOSSA-N 451.552 2.068 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2Cc2ccc(C(=O)NCC)cc2)CC1 1705649218 PKSWFADILMWCQB-UHFFFAOYSA-N 473.581 2.047 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC)n2Cc2ccc(C(=O)N(CC)CC)cc2)CC1 1705650704 XYQKNGTYQCWUFW-UHFFFAOYSA-N 450.587 2.337 30 10 JEEE C=C(C)COCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@]2(CCOC2)C1 1705737067 JGEYZLAYRWWCLI-YADARESESA-N 493.605 2.175 30 10 JEEE C=C(Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1)c1ccccc1 1705741091 FYFCUCLJFYECSA-NRFANRHFSA-N 479.629 2.264 30 10 JEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](CC)NC(=O)OC(C)(C)C)CC1 1705763552 XWGWOQNZZLXVEE-CVEARBPZSA-N 456.613 2.348 30 10 JEEE C=CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1705941495 LRXGDQBFLYYPHR-INIZCTEOSA-N 479.628 2.359 30 10 JEEE Cc1nc(CCn2c(-c3cccc(C#N)c3)nnc2N2CCN(S(C)(=O)=O)CC2)sc1C 1706990799 ALRVYHWDIDUNFR-UHFFFAOYSA-N 471.612 2.214 30 10 JEEE CC[C@H](C)c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CCCn1cc(CO)nn1 1708554944 DFFVLJZDQRLDLX-LAUBAEHRSA-N 450.547 2.415 30 10 JEEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2CC(F)(F)C2)CC1=O 1712492710 HFPCEILRFHCKLO-UHFFFAOYSA-N 460.485 2.069 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCOc1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 1722361466 NLSZZIYJUAGBIY-SFHVURJKSA-N 474.974 2.038 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1ccc(F)cc1F)[C@@H]1CCS(=O)(=O)C1 1722367704 XGLDLMDNUIOZBB-LJQANCHMSA-N 457.506 2.217 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCC(=O)Nc1cccc(Cl)c1C 1722390454 QWZKALMZSSZXKL-QGZVFWFLSA-N 491.017 2.342 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCNC(=O)c1cc[nH]n1 1722412415 ZMVLQNMWLPSNAA-KRWDZBQOSA-N 470.578 2.005 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCN(C(=O)NCC)CC2)nnc1[C@]1(OC(C)C)CCOC1 1722501008 NVTFRXKIVXQWRU-NMMYMHLASA-N 476.622 2.151 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cn2ccc3ccccc32)nnc1N(C)CCNS(C)(=O)=O 1722508028 ZVRUITYCZPHRHB-UGKGYDQZSA-N 472.615 2.248 30 10 JEEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1722542675 FXYAXFOXDSJWGD-CABCVRRESA-N 477.031 2.334 30 10 JEEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1722601361 UOEQSRHUHIGMGY-GOSISDBHSA-N 466.652 2.474 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCOCC1 1722659105 QDDUWYAWHFLRKG-OAQYLSRUSA-N 475.615 2.230 30 10 JEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2cccc(Br)c2C1 1722686405 ZYKKHMLFLQVUHI-QGZVFWFLSA-N 482.404 2.122 30 10 JEEE CC(=O)N1CCCN([C@@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCCCCO)C[C@H]2C)CC1 1722777007 LVWHXYZMYQIOBP-HYBUGGRVSA-N 479.629 2.358 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCN1Cc1ccccc1 1722862828 FNVPUXSBXGALLV-GGPKGHCWSA-N 459.620 2.149 30 10 JEEE CCC[C@@H](C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(CC(N)=O)CC1 1727926346 BQFAKTRQQKGUJQ-QGZVFWFLSA-N 451.575 2.461 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1C[C@H](C)N(C)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1740627264 OYVPWSRDQHSABP-ROUUACIJSA-N 467.636 2.359 30 10 JEEE C#CCN(c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(C)C)[C@@H]1CCS(=O)(=O)C1 1740627408 QHGPPGHAAYVBAO-RTBURBONSA-N 495.646 2.259 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCc1nnc(C)s1 1740630613 LEHRUEORYOPRLO-UHFFFAOYSA-N 483.623 2.061 30 10 JEEE C#CCN(CC#CC)c1nnc(COc2cc(C)ccc2C)n1CCN/C(O)=C1\N=CC=CC1=O 1740659599 XMVSXOIZQFJXJH-OCOZRVBESA-N 472.549 2.463 30 10 JEEE C#CCN(CC)c1nnc(Cc2csc(C)n2)n1CCNS(=O)(=O)c1ccc(C)s1 1740672759 SVTLHISGPULQSK-UHFFFAOYSA-N 464.642 2.442 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ccnc(N2CCCCC2)c1 1740678593 PAPRESQFMSMBAH-UHFFFAOYSA-N 451.575 2.034 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCCN2CCOCC2)CC1 1740689648 CCWHQWYONZVLJS-FQEVSTJZSA-N 456.566 2.035 30 10 JEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccc(OCC)cc2)CC1 1740716561 UEJOULHAUQQLFH-OAQYLSRUSA-N 468.627 2.317 30 10 JEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC(O)(Cc2ccc(F)cc2)CC1 1740719218 BUILIAUNRZGKEO-UHFFFAOYSA-N 471.602 2.480 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1C(C)C 1740761029 LVRDOTVIKVIJGT-FYQPLNBISA-N 467.636 2.217 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1740953284 ANIBCYOMYVSOTO-IBGZPJMESA-N 476.528 2.150 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2cccc(F)c2F)C1 1740978965 AIHCSRSOEAHPSR-SJORKVTESA-N 452.527 2.482 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2CCC(=O)N2CCOCC2)C1 1740982086 SLFSQUUAASSMMY-QGZVFWFLSA-N 461.513 2.177 30 10 JEEE CCCOc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H](C)N2CCN(CC)CC2)cc1OC 1745808429 HFQYDIZLROKGIV-IFMALSPDSA-N 497.644 2.497 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@](C)(O)c1cc(C)oc1C)[C@@H]1CCS(=O)(=O)C1 1748811074 BBKHCSNUPRHAJO-XXBNENTESA-N 469.567 2.084 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@@H]1CCO[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1748820095 ZBRCEVYPCSREKH-NLWGTHIKSA-N 460.575 2.450 30 10 JEEE COc1ccc(O[C@@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(CC#N)CC2)cc1 1748849910 CUVIOVVKEFZXII-DLBZAZTESA-N 476.603 2.494 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N1CCc2ccccc21 1748891553 ABYCSJNMCCJLJK-CTNGQTDRSA-N 451.596 2.094 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccn3C)n2CCc2ccc(OCCN(C)C)cc2)CC1 1748984473 SCSUTMPJMATVSI-UHFFFAOYSA-N 461.614 2.222 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H]2CC(=O)N(CCOC)C2)CC1 1749006629 VNXYOMCETSOPNA-GOSISDBHSA-N 499.015 2.059 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)COC)CC1 1749120363 CZUHJAMNUCXBDK-WIYYLYMNSA-N 470.530 2.130 30 10 JEEE C=C(Cl)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1749277610 ICDOOTQXVHQQAR-HOTGVXAUSA-N 481.022 2.390 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1749655960 VKXVWAXZHZKGQC-IBGZPJMESA-N 455.950 2.311 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN2CCCC[C@@H]2C1 1749740919 KPYPOFCBJYHSMZ-VAMGGRTRSA-N 465.664 2.472 30 10 JEEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)OCc2ccccc2)CC1 1760143887 WBUFDRNYLDHKEQ-UHFFFAOYSA-N 450.543 2.386 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H](c1ccc(F)cc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1760186347 BSZBUYITXUEPMC-FCEUIQTBSA-N 489.617 2.241 30 10 JEEE C#CCN(c1nnc(-c2nnc(O)c3ccccc23)n1CCCCC)[C@@H]1CCS(=O)(=O)C1 1760188788 MVLPKRKZVCBFDH-MRXNPFEDSA-N 454.556 2.411 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC(F)(F)CNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1760190248 UTFKDJKMBKDYEN-OAHLLOKOSA-N 498.556 2.060 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](c2ccccc2)N(CC)CC)CC1 1760259806 QFPKFMXVKLCHLD-XZOQPEGZSA-N 484.670 2.019 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cn(CCCCC)nc2C)CC1 1760265229 SPOYBFGJSLCXOW-UHFFFAOYSA-N 494.644 2.223 30 10 JEEE C#CCSCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1760274140 IYTNLYQQLYXVED-KRWDZBQOSA-N 485.639 2.172 30 10 JEEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2ncccc2C#N)CC1 1760284613 OXCSYRBPXBFCEA-UHFFFAOYSA-N 461.599 2.099 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCC(=O)N2)n1CCN1CCN(C)C(C)(C)C1 1760477463 BDDMUCHVLGWWTG-JOCHJYFZSA-N 481.645 2.456 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N(CCO)Cc1ccccc1 1760516244 ZGEIBRZVVIOHGU-UHFFFAOYSA-N 473.375 2.347 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCN(C2CCCCC2)C(=O)C1 1760524563 BBVPUDPKASZRFU-UHFFFAOYSA-N 454.550 2.292 30 10 JEEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 1760527079 MIAZCXONZJSZKY-INIZCTEOSA-N 487.630 2.035 30 10 JEEE CCc1ccccc1OCc1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H]1CC(=O)N(CCOC)C1 1762661298 CULRRTUDUAYFPP-UUOWRZLLSA-N 470.549 2.356 30 10 JEEE CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1764580515 CSYBMLRMZXUWSE-HOYKHHGWSA-N 468.558 2.029 30 10 JEEE CCN(C[C@H]1CCCO1)c1nnc(COc2ccc(C#N)cc2)n1CCN1CCOC[C@@H]1C 1765171989 FRLURWMCHNLAPT-SIKLNZKXSA-N 454.575 2.455 30 10 JEEE CN(CCc1cnccn1)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCS(=O)(=O)C1 1767287551 GONFFGYJUMTRBJ-GOSISDBHSA-N 451.556 2.110 30 10 JEEE COC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCC[C@@H](O)C2)CC1 1767960732 DHYCEDJHSHXKBE-RTBURBONSA-N 454.531 2.168 30 10 JEEE COCCN(CCC#N)c1nnc([C@H]2CCOC2)n1Cc1ccc(-n2nc(C)cc2C)nc1 1769844853 DXACZYNPXVYCTD-FQEVSTJZSA-N 450.547 2.394 30 10 JEEE N#C[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cc(Cl)ccc2OC(F)F)CCO1 1770747178 GQKIGBRKIFNTSD-WFASDCNBSA-N 487.916 2.212 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1772567218 XWRMQXLPJOAXGW-FQEVSTJZSA-N 453.522 2.159 30 10 JEEE COc1ccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCCN2CCOCC2)cc1O 1862593313 GIRSFCKRALHNRS-QFIPXVFZSA-N 468.506 2.407 30 10 JEEE C=CCn1c(C(=O)N2CCN(c3ccccn3)CC2)cc2c(N3CCC(CO)CC3)ncnc21 1873561377 XBSOFUQBBWNTOR-UHFFFAOYSA-N 461.570 2.183 30 10 JEEE CC(C)N1C[C@@H](c2nnc(SCCCO)n2/N=C/c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1=O 1874342086 ZDFOJCYMLWSWCK-URMYYVDKSA-N 490.542 2.039 30 10 JEEE C=CCNC(=O)c1nc(C(=O)N2CCC(Oc3ncc(Br)cn3)CC2)cs1 1889591365 HKOHTJFXUUQHPG-UHFFFAOYSA-N 452.334 2.295 30 10 JEEE COc1cc(N2CCN(C(=O)[C@H]3SCC(=O)N(C(C)C)[C@H]3c3ccc(C#N)cc3)CC2)nc(C)n1 1889715733 RBEGIWAUULTIDQ-ZEQRLZLVSA-N 494.621 2.408 30 10 JEEE COc1ccc(O[C@H](C)C(=O)N2CCC(OCC#CCN3CCN(C(C)C)CC3)CC2)cc1 1890336072 VKLUYJBVFNRQQB-JOCHJYFZSA-N 457.615 2.500 30 10 JEEE CC(C)(C)OC(=O)N[C@@]1(C(=O)N[C@@H](C(=O)O)C(C)(C)S)CCN(Cc2ccccc2)C1 2019058038 KXZAWRZTAOHDSZ-AOMKIAJQSA-N 451.589 2.434 30 10 JEEE C/N=C1\S[C@@H](CC(=O)N2CCOC[C@H]2Cc2cn([C@@H](C)c3ccc(F)cc3C)nn2)C(=O)N1C 2087926611 UFVJMXLURSCROK-UUZQZRGUSA-N 488.589 2.055 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)NCCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2180985984 WCJLBWINUQXYRH-OALUTQOASA-N 460.380 2.015 30 10 JEEE COCCN(Cc1ccccc1)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2247903295 FXVYIGVOAFRGDL-UHFFFAOYSA-N 452.407 2.421 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)NC(=O)c1nn(C)c(Cl)c1B1OC(C)(C)C(C)(C)O1 2255817203 QXTJYWGFSMFKAX-NEPJUHHUSA-N 456.780 2.404 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@H]1CCC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2256613889 KGFICRKBRZQEJR-ZDUSSCGKSA-N 452.386 2.377 30 10 JEEE CC(C)(C)OC(=O)N1CC(O)(CC(=O)NCc2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2256620004 CYBRBLIKAKAHES-UHFFFAOYSA-N 452.382 2.035 30 10 JEEE CC(C)(C)OC(=O)NC[C@H](CNC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C(F)(F)F 2267092064 LYOMDVBIFPFRLB-NSHDSACASA-N 462.278 2.142 30 10 JEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CCNC(=O)[C@@H]2C[C@H]2B2OC(C)(C)C(C)(C)O2)C1 2267097779 SCYQIYKQVVPUEQ-BZUAXINKSA-N 472.413 2.009 30 10 JEEE Cc1nc(C(=O)N(C)C[C@H](O)CN(C)C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2267167347 FDZZHZIBRHFVQY-AWEZNQCLSA-N 469.413 2.051 30 10 JEEE CC(C)(C)OC(=O)N1CC2(C[C@H](O)CN2C(=O)c2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2267170959 CUQNRZKVWNPGCO-AWEZNQCLSA-N 464.393 2.244 30 10 JEEE Cc1cc(C(=O)N=c2[nH]nc(CNC(=O)OC(C)(C)C)o2)sc1B1OC(C)(C)C(C)(C)O1 2267233464 GYVOSAJVINLOCG-UHFFFAOYSA-N 464.353 2.438 30 10 JEEE CN([C@@H]1CC[C@H]1OCc1ccccc1)S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2267465974 SMOHWYFWOIWVFF-RTBURBONSA-N 461.393 2.088 30 10 JEEE C=C(CS(=O)(=O)N1CC[C@](CNC(=O)C(F)(F)F)(C2CC2)C1)B1OC(C)(C)C(C)(C)O1 2267725062 SNIJXQVFNOZHGW-GOSISDBHSA-N 466.331 2.284 30 10 JEEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)[C@@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C 2268627952 AKFCXSUCWVYVMQ-ZBFHGGJFSA-N 466.409 2.376 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@H]2CC[C@@]1(C(=O)N=c1nc(B3OC(C)(C)C(C)(C)O3)[nH]s1)C2 2268677937 XQAXWOWJWNTHKG-RRMDADRESA-N 464.397 2.281 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@]1(C)C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2268698591 BZNPBGHMVINJPK-OAQYLSRUSA-N 467.397 2.085 30 10 JEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](COc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)[C@H]1OC 2280558406 WTVXQGXCMLLJOZ-ZHALLVOQSA-N 464.368 2.409 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@H](O)CN(C(=O)c2ccc(F)c(B3OC(C)(C)C(C)(C)O3)c2)C1 2281778007 NPBPMYXDMOZGJF-HOTGVXAUSA-N 464.343 2.225 30 10 JEEE C[C@@H](NC(=O)c1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1)C1(O)CN(C(=O)OC(C)(C)C)C1 2281792727 LORNCIFZUFTPFK-CQSZACIVSA-N 464.343 2.225 30 10 JEEE Cn1nc(C(=O)N[C@H]2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)cc1B1OC(C)(C)C(C)(C)O1 2281961761 QLZJAQDVIJBTEU-ZSHCYNCHSA-N 460.384 2.095 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C12CC2 2281973908 VMGDUVVRYOTLBO-INIZCTEOSA-N 460.384 2.474 30 10 JEEE Cc1c(C(=O)NCC[C@H]2CCN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281987994 GKDXCKXAPHSVHX-INIZCTEOSA-N 462.400 2.405 30 10 JEEE CC(C)(C)OC(=O)NCC1(CO)CCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)CC1 2282201339 RXALBHWBNALEJU-UHFFFAOYSA-N 464.368 2.318 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](CCNS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282287534 ARFITQFYARBJIV-INIZCTEOSA-N 481.424 2.306 30 10 JEEE CCc1nn(C)c(C(=O)NC[C@H]2CCCN2C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2282560828 WWPSDLYZDNMKAH-OAHLLOKOSA-N 462.400 2.411 30 10 JEEE Cn1cc(C(=O)NC2([C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)c(B2OC(C)(C)C(C)(C)O2)n1 2282577814 KBBRVFGWOJYQET-OAHLLOKOSA-N 460.384 2.239 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]1C 2282581420 HRKOVCHIAWSGDG-JKSUJKDBSA-N 462.400 2.498 30 10 JEEE CC(C)[C@@H](C)[C@H](CNC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2282611607 NIOHUKFZVCQDER-CABCVRRESA-N 465.404 2.030 30 10 JEEE Cn1nc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]3CC[C@@H]32)cc1B1OC(C)(C)C(C)(C)O1 2282618773 OJRJFULWPZBLGB-INMHGKMJSA-N 460.384 2.237 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)O)N(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)C1 2282634264 KADIQQQGPQCMLN-UONOGXRCSA-N 464.324 2.161 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@]2(CO)CCN(C(=O)OC(C)(C)C)C2)c1 2282683688 GWDMOCPGXYMHOM-XMMPIXPASA-N 460.380 2.396 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CCc2c(B3OC(C)(C)C(C)(C)O3)cccc21 2283954183 BTJKBRPDQQATBE-BEFAXECRSA-N 458.364 2.245 30 10 JEEE CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1scc(C)c1B1OC(C)(C)C(C)(C)O1 2283955030 CGCQHJQZWNOKCE-INIZCTEOSA-N 482.408 2.428 30 10 JEEE CC1(C)OB(c2ccccc2S(=O)(=O)N[C@H](COCc2ccccc2)CC(=O)O)OC1(C)C 2284396307 USKNOOLINDVTJZ-SFHVURJKSA-N 475.372 2.324 30 10 JEEE C[C@H](C(=O)N[C@@H]1CCNC[C@H]1C(=O)C=Cc1ccc([N+](=O)[O-])s1)N1C(=O)c2ccccc2C1=O 2328155891 CPGMXTFFJTXSNN-FSPWUOQZSA-N 482.518 2.018 30 10 JEEE CC(=O)NCc1nnc(SCC(=O)Nc2ccccc2C)n1N=Cc1ccc(O)cc1O 2330738716 KNBFAGDGDIJUSV-UHFFFAOYSA-N 454.512 2.247 30 10 JEEE CN(C(=O)OC(C)(C)C)[C@H]1CN(C(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)CC1(C)C 2361508123 IZESRCBDUNJBQK-INIZCTEOSA-N 462.400 2.437 30 10 JEEE CC(C)(C)OC(=O)N1CC(C(=O)Nc2ccc(C#N)c(Br)c2)(S(C)(=O)=O)C1 2379885983 KUBNYUBCADJIBB-UHFFFAOYSA-N 458.334 2.293 30 10 JEEE Cc1cc(C)nc(N/C(=N\C(=S)NCCCN2CCOCC2)NC2CC(C)(C)NC(C)(C)C2)n1 14158068 VFFORSIRIJKUOM-UHFFFAOYSA-N 490.722 2.357 30 10 JEEE C=CCNC(=O)CN1CCN(c2ccc(S(=O)(=O)N(CC)c3ccccc3)cc2[N+](=O)[O-])CC1 28623799 PAQCBOCWNJZBEV-UHFFFAOYSA-N 487.582 2.234 30 10 JEEE COc1cc(/C=C\C(=O)OCC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)ccc1OCC#N 35394757 WVKRFYKKIGCBJB-NTMALXAHSA-N 473.507 2.043 30 10 JEEE C=CCn1c(SCC(=O)Nc2nnc(SCC(N)=O)s2)nnc1-c1cccc([N+](=O)[O-])c1 59789602 RKOABJCLRXUCFT-UHFFFAOYSA-N 492.568 2.199 30 10 JEEE CCOC(=O)c1ccc(N=C2S/C(=C\C(=O)OC)C(=O)N2CCCN2CCOCC2)cc1 254572134 DQTLHBLRTAKXRH-ABENJJMGSA-N 461.540 2.205 30 10 JEEE C=CCOc1cc(NCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)ccc1-n1cnnn1 586268482 LMVXAGHWENSWSL-UHFFFAOYSA-N 453.528 2.317 30 10 JEEE C#CCN(C(=O)c1ccc(Br)cc1I)[C@H]1CCS(=O)(=O)C1 729333085 KTVHPRIQZUPDIE-NSHDSACASA-N 482.137 2.316 30 10 JEEE Cn1nccc1[C@H](NC(=O)C#CCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 757472315 WMUOGVWVRRFSKT-QHCPKHFHSA-N 458.474 2.204 30 10 JEEE C[C@H](OC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H](C)c1cc2ccccc2o1 831243284 FWVOFYIRRGZFNZ-KGLIPLIRSA-N 455.492 2.280 30 10 JEEE CCCCn1c(NN=Cc2cc(Br)ccc2OC)nc2c1c(=O)n(C)c(=O)n2C 1081159612 RRLANQNMFWWKSW-UHFFFAOYSA-N 463.336 2.451 30 10 JEEE Cc1ccc(NC(=O)CSc2nnc(NN=Cc3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2N)cc1 1084452877 KVKJFQMHCMVHMN-UHFFFAOYSA-N 471.459 2.294 30 10 JEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC=C(c2ccc3c(c2)OCCO3)CC1 1137840798 FIODHFRALMFJOV-MRXNPFEDSA-N 453.520 2.312 30 10 JEEE C#CCn1ccc(CN(CC)C(=O)NCCNS(=O)(=O)c2cccc(Cl)c2Cl)n1 1228071460 MRQJXAOCHXQFJT-UHFFFAOYSA-N 458.371 2.333 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ccc(NC(N)=O)cc1 1286298122 FWQIAYZXGHOIJT-KRWDZBQOSA-N 459.558 2.449 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OCC)CCOC3)n2C[C@H]2CCN(CC)C2)c1 1286310389 YBKVSZWDHAAOSJ-HFZDXXHNSA-N 480.613 2.328 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cnn2ccccc12 1286455466 VNDIWLBGZQAFQK-KRWDZBQOSA-N 481.557 2.363 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1C[C@H]1CN(CC(C)C)CCO1 1286460045 SWAFANANMJHXQL-LJQANCHMSA-N 493.450 2.489 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2Cc2nnc(C)s2)CC1 1286492944 RJRDYHZNZIJUPL-UHFFFAOYSA-N 465.583 2.340 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H]2CCCN2CC)CC1 1286493353 UQPWOAOPIOQQAP-NRFANRHFSA-N 468.577 2.446 30 10 JEEE C=C(C)Cn1c(N2CCN(S(=O)(=O)c3csc(C)n3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1286598824 FBRXVPOBXZSLLY-OAQYLSRUSA-N 496.659 2.171 30 10 JEEE C=C(C)COCCn1c(-c2ccc(OC)cc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1286603356 BUSKACMKBSSHSF-UHFFFAOYSA-N 454.531 2.067 30 10 JEEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1286604313 HYPOYHDIJOFMRX-HXUWFJFHSA-N 496.655 2.345 30 10 JEEE C=C(Cl)Cn1c(N2CCN3C(=O)N(C)C[C@@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1286635452 SOBHWZLDJHAYKM-OWCLPIDISA-N 465.986 2.357 30 10 JEEE CN(C)C(=O)[C@H]1CCCN1CCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@@H](C#N)C1 1297953941 AOYITPUBFVORIC-FXAWDEMLSA-N 489.983 2.409 30 10 JEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1300421791 RJJNLWFJODZZMF-JOCHJYFZSA-N 453.572 2.169 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1CCc1cccc(F)c1F)[C@H]1CCS(=O)(=O)C1 1300486741 ACLSRKSDUNJJGM-SFHVURJKSA-N 457.506 2.488 30 10 JEEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1C[C@@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1300504829 UAOXDVDOTBVSMM-XXBNENTESA-N 460.600 2.262 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1cccc(OC)c1)N1CCCC1 1300578596 NCVSLHNUZYNWTO-UPVQGACJSA-N 495.649 2.489 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(NC(=O)N(C)C)cc2)CC1 1300725310 GKSGXUQGRQTIJL-OAQYLSRUSA-N 493.612 2.280 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1300893158 XWCXSOFWWIMDKA-WIYYLYMNSA-N 494.687 2.381 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(CC(=O)NC)CC1 1300895023 LCYWYAWNCOXFPW-LGGPRVQUSA-N 461.607 2.336 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC)c(F)c1 1300915170 IQUMVFPTCWQTQM-IBGZPJMESA-N 467.567 2.209 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(Oc2ncccc2F)CC1 1300991883 XIAYIRLCAGGMOE-QGZVFWFLSA-N 479.578 2.355 30 10 JEEE C=CCCOCCn1c(N2CCO[C@]3(CCO[C@@H]3C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1301261443 DTNAMKMDHBWCKY-UEVCKROQSA-N 450.580 2.296 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C)[C@@H](O)C1)C(C)C 1301367068 KIFVLLDMRHZOOI-ANULTFPQSA-N 465.664 2.086 30 10 JEEE C=CCn1c(Cc2ccccc2OC)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1301458224 IUOBGOGEYGRDOH-QFIPXVFZSA-N 454.619 2.295 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1301483886 XONFOHTZHNNRQG-AWEZNQCLSA-N 479.379 2.112 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(S(C)(=O)=O)cc2)C1 1301568348 RUPHNHGHRMXQRE-ZJOUEHCJSA-N 476.599 2.235 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCCN(Cc2ccc(OC)cc2)C(=O)C1 1301569161 RJOHDLAXKZXXHP-UHFFFAOYSA-N 475.615 2.250 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC(C(=O)c2ccc(O)cc2)CC1 1301579564 WACUYUUWQGOMIK-UHFFFAOYSA-N 482.566 2.141 30 10 JEEE CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCc1ccc(OC)cc1 1314388117 FUVOFGAHYHNPRG-UHFFFAOYSA-N 464.574 2.306 30 10 JEEE CO[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCN2CCCO)C1 1315707166 GWMUUNNSRSLBDX-IFMALSPDSA-N 454.575 2.191 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)c1ccc2c(c1)OCCO2 1358978293 INIQXPJRCNPKMY-GOSISDBHSA-N 468.579 2.002 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC)n2Cc2cccnc2OCC(F)(F)F)CC1 1359045505 JWAXCECZVYIMDM-UHFFFAOYSA-N 450.465 2.191 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(OC)nc2)CC1 1359046142 GNMCUUFOZIVLLM-UHFFFAOYSA-N 465.583 2.052 30 10 JEEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1359052986 XEPDEPYVMJFJOU-HXUWFJFHSA-N 498.609 2.095 30 10 JEEE C#CCSCCn1c(COc2cccc(C)c2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1359061346 ZELATNYYOAYKHA-UHFFFAOYSA-N 482.654 2.276 30 10 JEEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(CC(=O)N(C)C)CC1 1359126356 NBKRHJAKVLMELF-UHFFFAOYSA-N 455.563 2.213 30 10 JEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@](O)(c2ccccc2)C(F)(F)F)CC1 1359159235 QRZSCUIBXQBZNB-KXBFYZLASA-N 473.521 2.495 30 10 JEEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1359284404 MEZABPVJZGEJTP-UHFFFAOYSA-N 470.555 2.230 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1359292314 MUEZZIPNXNVUAX-QAPCUYQASA-N 482.006 2.387 30 10 JEEE C=CCN(Cc1cccs1)S(=O)(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 1462770179 HUHXMMWQCFZRJH-UHFFFAOYSA-N 456.611 2.454 30 10 JEEE CCCCn1c(N)c(N(Cc2ccccc2)C(=O)CN2CCC[C@](C)(C#N)C2)c(O)nc1=O 1473299762 CWASSGALNMIKEW-XMMPIXPASA-N 452.559 2.490 30 10 JEEE CNC(=O)c1cc(Cl)cc(S(=O)(=O)NCc2ncc(-c3cccc(C#N)c3)[nH]2)c1OC 1475135591 DZDDICNOCMJDRO-UHFFFAOYSA-N 459.915 2.448 30 10 JEEE Cc1nnc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H](CN(C)S(C)(=O)=O)C2)s1 1492771175 BLAWYCZPJLVNAC-QGZVFWFLSA-N 486.627 2.133 30 10 JEEE CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCC(C)CC2)CC1 1502424270 DGXFZEXGHJTTPI-UHFFFAOYSA-N 478.645 2.197 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1CCN1CCN(C(C)=O)CC1 1507520783 RIMSGZCEZOIFHH-MRXNPFEDSA-N 459.392 2.330 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCC(F)(F)F)nc1 1507539200 SCJDAZVCMWMZIK-UKRRQHHQSA-N 457.478 2.023 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CC1(O)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1507627072 CLBSREWURRWWFG-HXUWFJFHSA-N 453.568 2.139 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCc1ccc(Cl)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1507631581 QTTKRBUGHMMRHX-GOSISDBHSA-N 489.001 2.210 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CCCCN1CCOCC1 1507700309 PFGLPVANUDUQGW-NRFANRHFSA-N 454.550 2.121 30 10 JEEE C#CCN1CCN(c2nnc(CSc3ccccc3OC)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1507733422 YDAVZAQQTMPYGL-LJQANCHMSA-N 489.667 2.159 30 10 JEEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1507748419 NGZXBOZWUZSTCA-KRWDZBQOSA-N 452.588 2.048 30 10 JEEE C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1C1CCC1 1507783365 CLXAYDAWIDCLTM-HZPDHXFCSA-N 474.425 2.289 30 10 JEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cc(OC)c(OC)c(OC)c2)CC1 1507880402 IFKCTNPPSDMFJM-OAHLLOKOSA-N 465.576 2.119 30 10 JEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cc(F)ccc2F)CC1 1507966635 AKJHKQBVSYVRDZ-QGZVFWFLSA-N 481.569 2.378 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCO[C@]2(CCOC2)C1 1508076069 RQZBVANATUJLIP-YADARESESA-N 455.559 2.333 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1CCC(N(C)C(C)=O)CC1 1508092400 BOESQWLUZDJHKT-UHFFFAOYSA-N 472.615 2.328 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCCN(c2ncccc2F)CC1 1508144392 PWAHQZAOCJWCQB-UHFFFAOYSA-N 485.589 2.116 30 10 JEEE C#CCCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC(S(C)(=O)=O)CC1 1539078682 DOMDXIJCUUCZLA-UHFFFAOYSA-N 498.697 2.460 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1CCC1(COC)CCCC1)[C@H]1CCS(=O)(=O)C1 1539223125 ZECXKFAHOJVKQA-OALUTQOASA-N 450.605 2.006 30 10 JEEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1C[C@@H]1CCN(CC)C1)[C@H]1CCS(=O)(=O)C1 1539231174 SLYAYRGOMAESSD-YADHBBJMSA-N 485.654 2.442 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(Br)s2)n1CC1(O)CCS(=O)(=O)CC1 1539305082 ORRILJGPVSWXOZ-UHFFFAOYSA-N 497.440 2.172 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2CCC(=O)NC2CCCCC2)CC1 1539461912 MNXCJDBHBCJTTL-UHFFFAOYSA-N 480.613 2.460 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(OC(C)(C)C)nc2)CC1 1539466805 HQRBYYWOMGZKCP-UHFFFAOYSA-N 481.601 2.003 30 10 JEEE C#CCSCCn1c(COc2cccc(C)c2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1539526847 VQEZXWLSHPMZQY-JOCHJYFZSA-N 482.654 2.275 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)CCCC 1539632901 VQKZIDPCPYXBGB-OTWHNJEPSA-N 455.625 2.219 30 10 JEEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1539706303 FYWXDFKVBLADFY-RBUKOAKNSA-N 473.578 2.474 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(COC)cc2)CC1 1539890640 RDDHSQRBNGLGQJ-OAQYLSRUSA-N 475.615 2.208 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1540862748 IHLIDRWHHJSGRV-UNMCSNQZSA-N 499.635 2.464 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(C)cc2C)C1 1540893014 VFVMUTVDIDGHJX-RTWAWAEBSA-N 475.615 2.057 30 10 JEEE C=CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(CC(C)C)C(=O)C1 1540911671 YITNMVQGDLUVEJ-UHFFFAOYSA-N 467.603 2.145 30 10 JEEE C=CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC(=O)N(C)[C@@H](C)C1 1540913198 KBHAENCMOHDWLF-INIZCTEOSA-N 467.599 2.261 30 10 JEEE CC[C@H](C)[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(NS(C)(=O)=O)CC1 1545251074 ARCMLQNZQFEXJL-AOMKIAJQSA-N 460.604 2.132 30 10 JEEE CCC1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(S(C)(=O)=O)CC2)CCOCC1 1546130805 DZXDZECVNIZXMM-UHFFFAOYSA-N 458.588 2.105 30 10 JEEE CNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(SC)CCOCC2)CC1 1554494191 ANNABGLTURYUKH-UHFFFAOYSA-N 455.588 2.190 30 10 JEEE COCCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)N1CCc2ccccc2C1 1555556570 DIQUGQBCMZBSIH-NRFANRHFSA-N 465.602 2.433 30 10 JEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC2(CC1)Cc1ccccc1C2=O 1587808222 OLJHWECJFANMQY-QGZVFWFLSA-N 455.584 2.327 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1ccccc1CN1CC[C@H](O)C1)[C@H]1CCS(=O)(=O)C1 1588059041 IAEHGBYOGDJFBQ-GOTSBHOMSA-N 499.681 2.108 30 10 JEEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1C[C@H](OC)C[C@H]1c1nnc2n1CCC2 1589304382 GOQJNXCJXDPHEI-OAGGEKHMSA-N 496.410 2.415 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1589548355 YROVWFVMWXVTLT-ZRNYENFQSA-N 493.674 2.293 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1594492333 YPZSNPVDTSGVMP-KRWDZBQOSA-N 452.625 2.082 30 10 JEEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1594692818 HFPMDYHATIHIRY-SFHVURJKSA-N 481.644 2.175 30 10 JEEE C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CCOc2cccc(OC)c2)CC1 1595314456 XNUPQXFAGYKVKH-UHFFFAOYSA-N 463.542 2.321 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H](C)CC[C@H]1C 1595497044 OISKRNYCMYYLRK-IAGOWNOFSA-N 460.604 2.122 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 1595529782 HWKVLJZIGPKBFV-KRWDZBQOSA-N 455.563 2.444 30 10 JEEE CC(C)N1CCC(O)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](CC(N)=O)C2)CC1 1608059645 BNABMIQFFGPGCH-HXUWFJFHSA-N 465.602 2.144 30 10 JEEE CC(C)NS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 1610312673 BIHOCUSUCGTWRH-RTWAWAEBSA-N 488.614 2.204 30 10 JEEE Cc1nc(C#N)c(N2CCN(C(=O)CN(CCO)Cc3ccc(Cl)c(Cl)c3)CC2)o1 1616957229 FKFNOAYRHPKDPX-UHFFFAOYSA-N 452.342 2.305 30 10 JEEE CN(CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC2(CC1)COC(=O)N2)CC(F)(F)F 1618283720 CWAUZENZHLNXIE-UHFFFAOYSA-N 493.490 2.302 30 10 JEEE C=CCn1c(S)nc2cc(C(=O)N3CC[S@@](=O)C[C@@H]3c3cnn(CC)c3)ccc2c1=O 1618580534 QXXWODDNVVGZIX-WTPASJBYSA-N 457.581 2.033 30 10 JEEE C=CCOc1ccc(/C=C\C(=O)NC2CN(S(=O)(=O)c3ccc(OC)cc3)C2)cc1OC 1637657647 FYEADYKAZZKLPB-SDQBBNPISA-N 458.536 2.471 30 10 JEEE COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(C#N)nc2)C[C@H]1c1ccc(Br)cc1 1655735004 HARPQFBDRGUCKG-DLBZAZTESA-N 450.314 2.293 30 10 JEEE C#CCCCS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 1660967812 RPIPGSTVHSVIKY-UHFFFAOYSA-N 458.911 2.408 30 10 JEEE Cc1ccc(NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)c(C)c1S(=O)(=O)NC1CC1 1667280138 GRLZXCCSSIKANK-UHFFFAOYSA-N 454.556 2.365 30 10 JEEE C#CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1689918002 NCBCRMPTOORBFN-SFHVURJKSA-N 453.547 2.303 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CCCN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1689996736 NJEGHPFUJZWNHH-QFIPXVFZSA-N 496.637 2.231 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCC(=O)N1CCCCCC1 1690043695 KMFNPXLPZXRBDX-UHFFFAOYSA-N 485.592 2.448 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(C(=O)N3CCCC3)n2Cc2cccs2)n1 1690108012 MCRWIMFOTWWNSR-UHFFFAOYSA-N 453.572 2.107 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H](C)CN2CCN(CC)CC2)CC1 1690126241 XAKIDVFMEGPTTR-JOCHJYFZSA-N 467.637 2.037 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H](c2ccccc2)N(C)C)CC1 1690154795 ZWOVHCXCYSKLOY-VXNXHJTFSA-N 494.640 2.271 30 10 JEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)c2cccs2)CC1 1690154971 BPQUCKZDXSBYGP-OAHLLOKOSA-N 481.669 2.416 30 10 JEEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1690183107 MFPZBKXFNPSHHT-DLBZAZTESA-N 461.613 2.020 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1Cc1ccc(OCCN(C)C)cc1 1690189164 VEWYPHYRAIZSMC-RUZDIDTESA-N 450.587 2.495 30 10 JEEE C=CC1CCN(c2nnc(-c3cc(Br)cn3C)n2CCNS(=O)(=O)CC)CC1 1690402627 JTRPCWRNUGSNPF-UHFFFAOYSA-N 471.425 2.388 30 10 JEEE C=CCCOCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(CC(N)=O)CC1 1690507145 DZUROEAAHMCGHP-UHFFFAOYSA-N 451.531 2.278 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@@H](C)[C@@H](F)C1 1690671589 ZOFVRLIKANBVFP-IKGGRYGDSA-N 450.559 2.489 30 10 JEEE C=CCNC(=O)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC(C(=O)NCCC)CC1 1690673988 LGQIYQKUKFHEIE-UHFFFAOYSA-N 463.586 2.395 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@@H](C)O[C@H](CC)C1 1690724102 ICEJWUXYEGIIAR-UYAOXDASSA-N 489.646 2.057 30 10 JEEE C=CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@H](C(=O)NC)C1 1690742556 UODLWVAUWBYWHC-HNNXBMFYSA-N 453.572 2.476 30 10 JEEE C=CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1690744653 RABIELYGGGVOKK-QZTJIDSGSA-N 457.666 2.199 30 10 JEEE CCN(CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](C(=O)NC)C1)CCC(F)(F)F 1695747796 CRZPCBVXGOOGQM-GOSISDBHSA-N 479.507 2.042 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1C[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1705560181 FEAZANWIDDJBOL-VNHYZAJKSA-N 452.378 2.318 30 10 JEEE C#CCN(c1nnc(COc2ccc(Br)cc2)n1CCOCC)[C@H]1CCS(=O)(=O)C1 1705568673 SOGKCBCEDPGPPJ-KRWDZBQOSA-N 497.415 2.283 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(C)o2)n1CC(=O)N1CCN(c2ccccc2)CC1 1705624004 MXCODHVTGVTKBT-UHFFFAOYSA-N 462.554 2.281 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)CC1 1705632442 QHWPYPDCPOIFBQ-GOSISDBHSA-N 475.638 2.207 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCCOC2CCOCC2)CC1 1705632590 VJJDAUUKDAKHOS-UHFFFAOYSA-N 480.613 2.488 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2Cc2nc3c(s2)C[C@@H](C)CC3)CC1 1705635035 PIBDDGCPGIOGAI-ROUUACIJSA-N 458.632 2.387 30 10 JEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](C)Oc2ccccc2OC)CC1 1705642481 VPUHKMAAVAZBPN-OAQYLSRUSA-N 463.586 2.371 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 1705900208 ULEKXDHBAHECGZ-UHFFFAOYSA-N 465.945 2.145 30 10 JEEE C=CCS(=O)(=O)CCn1c(N(C)C[C@H](C)C#N)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705938992 OTOYFPFFGRYROI-ZACQAIPSSA-N 466.608 2.245 30 10 JEEE C=CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1705942468 TULKSGGUNBXZPJ-SJORKVTESA-N 464.569 2.382 30 10 JEEE CCOc1c(OC)cc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC(C#N)CC2)cc1OC 1710497669 CIQMKCPABMUHDN-QGZVFWFLSA-N 454.531 2.433 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@]2(O)CCN(C)C2)c1 1722306811 OHSBCQHQMFRCCH-WHCXKFMVSA-N 494.640 2.320 30 10 JEEE C#CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC(C)C)[C@@H]1CCS(=O)(=O)C1 1722371965 ZSWJGXDWRMLJJK-FGTMMUONSA-N 465.620 2.332 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(Br)cc2Cl)n1CCOCCS(C)(=O)=O 1722379404 HPAFYMSFIMEFFH-UHFFFAOYSA-N 499.818 2.495 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCc2ccc(OC)cc2OC)CC1 1722440197 APYWYCMIFFMVSF-REWPJTCUSA-N 469.586 2.017 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@@H](C)Oc2ccccc2OC)CC1 1722446288 QURHEPYULVJHHX-GOSISDBHSA-N 475.553 2.177 30 10 JEEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)c1ccccc1F 1722462765 XWVTVMMBHNWKOR-APWZRJJASA-N 481.619 2.314 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](COC)C1 1722496744 ZSUKASORBRGTNN-DYXWJJEUSA-N 476.599 2.181 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCC[C@@H]2CCCCO2)CC1 1722566727 XUAIWVPZHSHLIM-RBUKOAKNSA-N 453.609 2.117 30 10 JEEE C=CCNC(=O)Cn1c(N2CCCN(CCC)C(=O)C2)nnc1C1(c2ccccc2)CCC1 1722704542 URSHVWJZJDQGCC-UHFFFAOYSA-N 450.587 2.499 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1722730366 PVEXYIADFZPRMP-UHFFFAOYSA-N 487.655 2.265 30 10 JEEE COCCN(CCC#N)c1nnc(-c2cc(F)ccc2Br)n1CC(=O)N1CCOCC1 1730759842 HINJXMZIYOLHCD-UHFFFAOYSA-N 495.353 2.072 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CCCc2c[nH]nc2C)c1 1740561307 ANGWARWFDOOIDY-UHFFFAOYSA-N 462.558 2.137 30 10 JEEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1CCc1noc(CC)n1)[C@@H]1CCS(=O)(=O)C1 1740627213 FHLNPVQAZBOWEY-LJQANCHMSA-N 498.609 2.289 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1cc(F)ccc1F)[C@H]1CCS(=O)(=O)C1 1740628586 ZAXSCABKKSDQAR-PKOBYXMFSA-N 450.511 2.473 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)Nc2ccccn2)n1C[C@@]1(O)CCO[C@@H]1C 1740675455 CMJYGRTYSBZLRF-OSPHWJPCSA-N 464.501 2.244 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](C)c2ccc(C)cc2)CC1 1740701232 ZCPZLOSBIMSXKH-IBGZPJMESA-N 450.587 2.494 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CCOc2ncccc2Cl)CC1 1740706777 CDYAXDNCSVKWTH-UHFFFAOYSA-N 479.972 2.357 30 10 JEEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1740711571 QCGNWZXBHJSHFI-SFHVURJKSA-N 465.377 2.433 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](SC)C(C)(C)C 1740731902 LDLFBYYOLZPHGE-CSODHUTKSA-N 469.677 2.381 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H](C)N1CCN(CC)CC1 1740770601 YNFIHQZKMRSTCK-HXUWFJFHSA-N 464.622 2.349 30 10 JEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(Cl)cc1OC)C1CC1 1740910779 SMDUAUZGXCHVTD-LJQANCHMSA-N 482.006 2.476 30 10 JEEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(C)[C@H](C)c1ccc([S@](C)=O)cc1 1740959357 SNIIMUWVWUBSRI-PYALWDDYSA-N 484.582 2.243 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 1740989920 BWKASAGQSWACOQ-KRWDZBQOSA-N 491.618 2.172 30 10 JEEE CCC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CCO1 1745355366 AGICCRCXRXQZAN-CTNGQTDRSA-N 488.614 2.016 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](C)N(CC)CC)c1 1748692379 GHMABXOWHDQVCZ-YLJYHZDGSA-N 451.575 2.016 30 10 JEEE C#CCN(c1nnc(C2CCC2)n1CC1CN(C(=O)OC(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1 1748814562 GNHBQPVYHJRZPQ-SFHVURJKSA-N 463.604 2.039 30 10 JEEE C#CCN(c1nnc(CSc2ccccc2OC)n1C[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1748825054 VUQFYVUSVCSUHM-MSOLQXFVSA-N 476.624 2.242 30 10 JEEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(OC)c(Br)c2)CC1 1748986695 HBQKDJPGYQVHPP-UHFFFAOYSA-N 470.375 2.253 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)ccc3Br)n2CCOC)CC1 1749003670 ROXDMWBEYPJPDO-UHFFFAOYSA-N 476.375 2.328 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC(C)(C)C(=O)NC)CC1 1749015449 WFYBGPGAHYTNLB-UHFFFAOYSA-N 471.005 2.260 30 10 JEEE C#CCSCCn1c(N(C)C[C@@H](C)C(=O)NC)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1749049236 ZVUQCFDCZPHLQE-ZACQAIPSSA-N 464.636 2.234 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)s2)n1C[C@@]1(O)CCS(=O)(=O)C1 1749058638 MUDZCLQUXIHJGM-MSOLQXFVSA-N 485.429 2.311 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1749097686 HMDNCSINRZFGLB-CABCVRRESA-N 453.385 2.126 30 10 JEEE C=C(Br)Cn1c(N2CCN3C(=O)CC[C@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1749112412 HQEUBPSMHGYYLD-KXBFYZLASA-N 454.369 2.038 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(OC)c(O)c1 1749118792 JOBDTISMDLUSMF-VPWXQRGCSA-N 479.603 2.220 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1749141940 NFQUVQIWJUPQFX-FXTUREPZSA-N 461.607 2.288 30 10 JEEE C=C(C)COCCn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1749235363 PWKJOYPZWHZKFA-UHFFFAOYSA-N 498.628 2.239 30 10 JEEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cc(F)ccc2F)CC1 1749413862 ZVNMPMJJFRGSGR-OAHLLOKOSA-N 454.547 2.459 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@H]1CCCN1S(C)(=O)=O 1749575552 TWXDTIXYBGHHRE-YLJYHZDGSA-N 459.572 2.393 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)[C@H]1CCCN(c2ccccc2)C1 1749683026 HDSFZXGEUVMILY-RRPUWOKSSA-N 468.602 2.410 30 10 JEEE CC(C)[C@@](C)(O)Cn1c(Cc2ccncc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1752280254 DAYGOWPYQBOHJB-UUOWRZLLSA-N 461.574 2.048 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@]1(C)CCCO1)[C@H]1CCS(=O)(=O)C1 1760182810 MLPRTVYXJJVWTJ-RDPSFJRHSA-N 485.610 2.343 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H]1CCN(CC)C1 1760247874 SXPVDWUBFNRDMJ-LJQANCHMSA-N 463.586 2.103 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccnc1OC1CCCC1 1760248481 AIBIPVIZRSSBCY-IBGZPJMESA-N 473.599 2.031 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H](c2cccc(OC)c2)N(C)C)CC1 1760256733 JPXWGHHLZMXVSS-IGKIAQTJSA-N 496.656 2.385 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2CCn2cc(Br)cn2)CC1 1760269378 GQFQYOCFIIGOTJ-UHFFFAOYSA-N 460.380 2.171 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CCN2CCC(C)CC2)CC1 1760271560 BZNHJYHTCXWITQ-UHFFFAOYSA-N 469.659 2.332 30 10 JEEE C=C(Br)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1760302861 RZFKSOUBPJAJPC-AWEZNQCLSA-N 488.350 2.106 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1c(C)nn(C)c1C 1760306151 CPLFOJIBHFWDSU-CQSZACIVSA-N 457.398 2.076 30 10 JEEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1760427800 IRTOMDIVPZCUDL-QGZVFWFLSA-N 475.575 2.166 30 10 JEEE C=CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC1(S(C)(=O)=O)CC1 1760461593 ZWWAPVSISDVUBQ-UHFFFAOYSA-N 456.572 2.435 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)N1CCN(CC)CC1 1760487022 HMQBXWHJZCUDFU-PMACEKPBSA-N 492.715 2.460 30 10 JEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)OCc2ccccc2)CC1 1760525835 UADPGJHEKTYBHC-UHFFFAOYSA-N 495.609 2.395 30 10 JEEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1760526460 ADOUAQGDAKYMDE-UHFFFAOYSA-N 483.642 2.205 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC[C@H](CN3CCC(C)CC3)C2)nnc1[C@]1(OCC)CCOC1 1760529101 XBNHFCXBZHOBPH-BWKNWUBXSA-N 474.650 2.181 30 10 JEEE CC(C)Cc1nnc(N2CCN(c3oc(C4CC4)nc3C#N)CC2)n1CCCC(=O)N(C)C 1761035905 DSAQSJDTFIVENI-UHFFFAOYSA-N 454.579 2.409 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCc1c(F)cccc1F 1761235494 BCFGYROXKRVZTE-MRXNPFEDSA-N 495.538 2.314 30 10 JEEE CNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@@H]2CCO[C@@H](C)C2)CC1 1767837989 FTZLIIPXIJVVKT-RBUKOAKNSA-N 467.574 2.395 30 10 JEEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@@H]1CCN(CC(F)(F)F)C1 1767942136 AUOGCUWZAAKVMT-IAGOWNOFSA-N 493.538 2.076 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 1772566419 BMUDIHPUCOHYRI-DLBZAZTESA-N 478.475 2.128 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)C[C@H]1CCOC1 1772567144 KFYVNMHRISJUDK-MSOLQXFVSA-N 462.595 2.168 30 10 JEEE N#Cc1ccccc1S(=O)(=O)N1CC[C@H](NS(=O)(=O)c2ccc(Br)s2)C1 1858336646 VFGIRKKYEOTCPB-LBPRGKRZSA-N 476.399 2.124 30 10 JEEE COCCc1nc(Nc2cccc(C#N)c2)cc(N2CCc3ccc(S(N)(=O)=O)cc3C2)n1 1868247258 YHXSHRLWQSUZCC-UHFFFAOYSA-N 464.551 2.491 30 10 JEEE CCN(CC)CCNC(=O)c1ccc(-n2nnc(C#N)c2NS(=O)(=O)c2cccs2)cc1 1870099091 NZRODYPWZZBKRK-UHFFFAOYSA-N 473.584 2.073 30 10 JEEE C[C@@H](c1ccccc1)N1C[C@H](C(=O)Nc2c(C#N)nnn2-c2ccc(N3CCN(C)CC3)cc2)CC1=O 1870149755 OWZKXOJPGAMADH-PZJWPPBQSA-N 498.591 2.439 30 10 JEEE C=CCN=c1nc(Nc2ccc(I)cc2)[nH]c(N2CCN(CC)CC2)n1 1871703764 FPRNKLVZSUKACM-UHFFFAOYSA-N 465.343 2.382 30 10 JEEE CC(=O)NCc1nnc(SCC(=O)NC2CCCCC2)n1/N=C/c1ccc(C(=O)O)cc1 1874434187 RQFAOGZBFYFDRZ-FOKLQQMPSA-N 458.544 2.036 30 10 JEEE CCOc1cc(/C=N/n2c(SCC(N)=O)nnc2[C@H]2CCCO2)cc(Br)c1O 1874444741 JRTLNNOJOUUDKP-RVQTXVGNSA-N 470.349 2.456 30 10 JEEE COc1ccc(-n2nnc3c(N4CCN(C(=O)c5ccc(C#N)c(F)c5)CC4)ncnc32)cc1 1891125989 MJVRBZFTZQSDCW-UHFFFAOYSA-N 458.457 2.192 30 10 JEEE COC[C@@](C)(CC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2124538866 OJZWMFFPXHSDBF-OAQYLSRUSA-N 450.345 2.034 30 10 JEEE C#CCO[C@H]1CCN(C(=O)c2cc(I)cc(I)c2O)C1 2145481066 MLJYYJGVJBXVBG-JTQLQIEISA-N 497.070 2.466 30 10 JEEE Cn1ncc(C(=O)NCc2cccc(B3OC(C)(C)C(C)(C)O3)c2)c1I 2178295899 GXJVVBMTQUYDMY-UHFFFAOYSA-N 467.116 2.254 30 10 JEEE CCN(CCNC(=O)OC(C)(C)C)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2255932784 GITGORPNGMJURA-UHFFFAOYSA-N 475.442 2.119 30 10 JEEE CC(C)(C)OC(=O)NCCO[C@@H]1CCN(C(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C1 2267152439 MYDJZPBUKUDEPP-CQSZACIVSA-N 467.397 2.198 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)c2ccsc2B2OC(C)(C)C(C)(C)O2)C[C@H]1CO 2267460975 MSWMCKHTMAQZJL-HOCLYGCPSA-N 466.409 2.395 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1S(=O)(=O)N(OCc1ccccc1)C1CNC1 2267461877 AUIACBAWVHEBFE-UHFFFAOYSA-N 458.389 2.389 30 10 JEEE C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CN1S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2267704960 CNKUURUXGXDADY-ZIAGYGMSSA-N 487.453 2.260 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@H](NS(=O)(=O)Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2267707492 ROSJHQJHKYYODG-IYARVYRRSA-N 466.409 2.461 30 10 JEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H](COCc1ccccc1)C(=O)O 2269029500 HOESUGGJTLHBDN-INIZCTEOSA-N 481.401 2.304 30 10 JEEE Cn1ncc(C(=O)NC[C@H]2N(C(=O)OC(C)(C)C)CCC2(C)C)c1B1OC(C)(C)C(C)(C)O1 2281814709 MWNIYFYHXDRNNE-MRXNPFEDSA-N 462.400 2.485 30 10 JEEE CCc1nn(C)c(C(=O)N[C@@H]2CCC[C@H]2NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2281992913 TVOQIEOJXDYYHT-HZPDHXFCSA-N 462.400 2.457 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H]2CN(C(=O)c3ncc(B4OC(C)(C)C(C)(C)O4)cn3)CC[C@H]21 2282030097 AJYYVCNQJRJBMT-DOTOQJQBSA-N 458.368 2.247 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)c3ncc(B4OC(C)(C)C(C)(C)O4)cc3F)C[C@@H]2C1 2282045199 UUGKEPXSGAMPOS-GASCZTMLSA-N 461.343 2.459 30 10 JEEE Cn1ncc(C(=O)N2C[C@H](NC(=O)OC(C)(C)C)CC23CCC3)c1B1OC(C)(C)C(C)(C)O1 2282565289 IAARILHQZGCYML-OAHLLOKOSA-N 460.384 2.381 30 10 JEEE CC(C)(C)OC(=O)NCC1(CNC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2Cl)COC1 2282608673 XXKFDTWGNAJNRH-UHFFFAOYSA-N 481.786 2.305 30 10 JEEE CC(C)(C)OC(=O)N1CC(N(CC2CC2)C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2282623570 GPCZXQLRUFBFQQ-UHFFFAOYSA-N 458.368 2.247 30 10 JEEE CON(C1CN(C(=O)OC(C)(C)C)C1)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2282831261 HGHGQVHZEDBTJL-UHFFFAOYSA-N 486.371 2.296 30 10 JEEE CC(C)(C)OC(=O)N1CCOCCN1S(=O)(=O)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2282845972 BOFDWVNDESBSEX-UHFFFAOYSA-N 482.408 2.300 30 10 JEEE CC1(C)OB(c2ccc(O)c(C(=O)N[C@H](COCc3ccccc3)CC(=O)O)c2)OC1(C)C 2284462885 OEZFFSAFPQJBOK-SFHVURJKSA-N 455.316 2.481 30 10 JEEE COc1ccc(C(O)=C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccccc2[N+](=O)[O-])cc1 2296125380 CRWLCJPKWAAHHN-OAQYLSRUSA-N 467.478 2.357 30 10 JEEE CCOc1c(C=Nn2c(SCC(N)=O)nnc2[C@H]2CC(=O)N(C(C)(C)C)C2)cccc1OC 2327841614 UXDINPRYAQOGHN-HNNXBMFYSA-N 474.587 2.259 30 10 JEEE COc1cccc(CCc2nnc(SCC(N)=O)n2N=Cc2cc(OC)c(O)c(OC)c2)c1 2328619399 SWUWDUXZCLSNNC-UHFFFAOYSA-N 471.539 2.254 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1[C@@H]2C[C@@H]2CN1C(=O)OC(C)(C)C 2359266439 YWQSYSYQLNBTHA-INMHGKMJSA-N 460.384 2.187 30 10 JEEE COCCSc1nnc(NC(=O)CSc2n[nH]c(N/N=C/c3ccc(O)cc3)n2)s1 21078026 QJYQEDJYBWLSJV-CAOOACKPSA-N 466.574 2.277 30 10 JEEE N#Cc1cc(C#N)c(S[C@H](C(=O)NCc2ccc(S(N)(=O)=O)cc2)c2ccccc2)nc1N 59842532 UOCDUSRIHHIWMH-IBGZPJMESA-N 478.559 2.204 30 10 JEEE C#CCn1/c(=N\C(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)sc2cc3c(cc21)OCO3 101132756 KQTZGNCABFBCNR-NOFRPNMFSA-N 475.573 2.407 30 10 JEEE COc1ccc([C@@H]2/C(=C(/O)c3cccc([N+](=O)[O-])c3)C(=O)C(=O)N2CCOCCO)cc1OC 102560515 ZKGOTAYPRYZNQW-GOBJLOIFSA-N 472.450 2.043 30 10 JEEE COc1ccc(F)cc1/C(O)=C1/C(=O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1ccncc1 102744472 WJRYOABEYJFJJB-SADKCHQCSA-N 455.486 2.373 30 10 JEEE Cc1nc2ccccn2c1/C(O)=C1/C(=O)C(=O)N(CCN2CCOCC2)[C@@H]1c1cccc([N+](=O)[O-])c1 103103615 LUGIIQWZEGSSAH-LAGVDGIJSA-N 491.504 2.305 30 10 JEEE CCOc1ccc(N2CCN(CC(=O)N3CCC[C@@H](Oc4nccnc4C#N)C3)C2=O)cc1 238860954 KQNZUKICZBUTNA-LJQANCHMSA-N 450.499 2.059 30 10 JEEE CC(=NNc1nc2c(c(=O)nc(O)n2C)n1C[C@H](O)COc1ccccc1C)c1ccccc1 254294024 OXTIBSLMMUAGAS-SFHVURJKSA-N 462.510 2.420 30 10 JEEE C=CCN(CC=C)C(=O)Cn1c(=CC(=O)C2CC2)sc(=Cc2cc(C)c(OC)c(C)c2)c1=O 518743666 IRGGYSYNLUJHQI-UHFFFAOYSA-N 466.603 2.324 30 10 JEEE CCn1cc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2Cc2cccc(CS(C)(=O)=O)c2)cn1 726108378 HFSCFFCUHLHCKK-LJQANCHMSA-N 489.623 2.248 30 10 JEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC1CCN(C(=O)CC(F)(F)F)CC1 726948591 NUVPBISDUAGHAU-INIZCTEOSA-N 488.532 2.199 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)OCC(=O)c2ccc3c(c2)NC(=O)[C@H](C)O3)ccc1F 728093433 RAVBMIGNHJSNST-LBPRGKRZSA-N 462.455 2.049 30 10 JEEE C#CCN(CC(=O)O)C(=O)[C@H](CCN(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 757557731 BSEQCBDOVLMUFM-QHCPKHFHSA-N 463.534 2.392 30 10 JEEE COc1cc(C=NNc2nc(SCC(=O)Nc3nc(C)cs3)n[nH]2)c([N+](=O)[O-])cc1O 1084187597 XVQRXPIKJUCZII-UHFFFAOYSA-N 464.489 2.369 30 10 JEEE CC(C)n1cc(C=NNc2nnc(SCCC(=O)Nc3ccccc3[N+](=O)[O-])n2N)cn1 1084268919 SECBRVNRWQZGBN-UHFFFAOYSA-N 458.508 2.244 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)Nn3c(C)c(Br)c(C)c(C#N)c3=O)cc2C1=O 1161250303 HLTNMRQOEBWHAP-UHFFFAOYSA-N 455.268 2.265 30 10 JEEE CCOC(=O)C1([S@@](C)=O)CCN(S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CC1 1211893728 BUJHKNUDRGVPSO-MUUNZHRXSA-N 452.476 2.042 30 10 JEEE C#CCOc1ccc(CNS(=O)(=O)C[C@H]2CN(C(=O)OCc3ccccc3)CCO2)cc1 1211900129 OQCOXMFRZOUAAM-JOCHJYFZSA-N 458.536 2.156 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2C[C@@H]2CCCN(C(C)=O)C2)c1 1286311569 JWQHBAXDHTUMPI-IFMALSPDSA-N 464.570 2.444 30 10 JEEE C#CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1C[C@H](C)O[C@H](COC)C1 1286337511 JXWIMRWTCFSXLZ-WMZOPIPTSA-N 460.604 2.200 30 10 JEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 1286348899 AYLQBZWOOIQSMJ-QZTJIDSGSA-N 465.620 2.335 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCCN(C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1286380261 BLWSRCGMFREFPE-HXUWFJFHSA-N 459.616 2.311 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CCCN(C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1286395693 SYHSJZOTYSDHRW-QHCPKHFHSA-N 478.622 2.417 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(Br)c2)n1Cc1ccc(C(N)=O)nc1 1286403342 IISKBJFGLDLPQY-UHFFFAOYSA-N 479.338 2.331 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC(=O)NC(C)(C)C 1286457655 BJIDRMJZYSWWKF-SFHVURJKSA-N 475.590 2.264 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 1286478394 AFIPRLZXIUFCRM-PMACEKPBSA-N 458.607 2.327 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CC2CN(C(=O)OC(C)(C)C)C2)CC1 1286489687 CFTDZIZULGOZBM-UHFFFAOYSA-N 467.574 2.106 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(O)CCOCC1 1286522329 IWTKUYPZMLPKMD-WZONZLPQSA-N 475.590 2.120 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1286545699 AKPBNIKWJJJQDI-UXHICEINSA-N 460.623 2.481 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2c(F)cccc2F)nnc1N(C)CC(=O)N1CCOCC1 1286559518 XEHFDHAOKJZUOF-GAJHUEQPSA-N 475.540 2.423 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CC(=O)N1CCOCC1 1286565254 ZPFUBJAQLFUQOL-UGESXGAOSA-N 475.634 2.473 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1286568180 XYFXCOJNFMWJGM-GJYPPUQNSA-N 481.644 2.120 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@@H](NC(C)=O)C1 1286817612 WMIIAODVMUPWDV-QGZVFWFLSA-N 482.006 2.313 30 10 JEEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(C(C)(C)C)n1CC[S@@](=O)C(C)(C)C 1291194891 GVHWSBLMEXITLJ-MWOWJKGTSA-N 458.636 2.500 30 10 JEEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CC2)C[C@H](C(F)(F)F)O1 1291278936 DZDDHQZYOLKQPL-WMLDXEAASA-N 499.515 2.462 30 10 JEEE CCCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCOCC2)CC1 1294833627 GJNFAQNHFAWGCD-UHFFFAOYSA-N 482.585 2.013 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CC(=O)N1CCOCC1 1300286295 HLGLKUPHQIKSHI-CQSZACIVSA-N 462.348 2.033 30 10 JEEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1CCC1(F)CCC1)[C@@H]1CCS(=O)(=O)C1 1300504064 JIEHLJSAMHKKIF-MRXNPFEDSA-N 479.603 2.179 30 10 JEEE C#CCN(CC#CC)c1nnc(Cc2c(F)cccc2F)n1CCN/C(O)=C1/N=CC=CC1=O 1300583641 JCQHLZHNJZWQRR-FCQUAONHSA-N 464.476 2.136 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCOc2ncccc2Cl)CC1 1300681935 FDCXSRDOKRIFJT-UHFFFAOYSA-N 459.982 2.079 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccc(F)c(COC)c2)CC1 1300685455 OJULDNYYERSKPR-RUZDIDTESA-N 471.577 2.408 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CC2(CCOC)CCC2)CC1 1300707750 IQLWWVUCYBGBTL-UHFFFAOYSA-N 456.616 2.232 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1NC(=O)CC1(C)C 1300789600 QSAAIBDNKHHKJE-YADARESESA-N 484.626 2.102 30 10 JEEE C=C(Cl)Cn1c(N2CCN(CC(=O)N[C@@H]3CCC[C@@H](C)C3)CC2)nnc1[C@@]1(OCC)CCOC1 1301060534 HLKKXIHSICLFOL-DRMXPCRNSA-N 495.068 2.500 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCC2CCC(OC)CC2)CC1 1301087156 WIVPNIWOORMSQZ-MHJFOBGBSA-N 467.636 2.363 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N(C)Cc1ccc(C#N)cc1 1301584572 BWHQFMJWLNNLFN-UHFFFAOYSA-N 468.539 2.115 30 10 JEEE C=CCSCCn1c([C@H](C)CC)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1301595295 RXAYEDSZIYCKPJ-MSOLQXFVSA-N 457.666 2.342 30 10 JEEE CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@H](C)CN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1313618470 BUNNECCGQGHMQJ-TZIWHRDSSA-N 486.642 2.474 30 10 JEEE C#CCN(c1nnc(C(C)C)n1C[C@H](c1ccc(C)cc1)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1358954962 BGBUJWQWKAAUHD-XZOQPEGZSA-N 485.654 2.410 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCN1CCCCCC1)[C@H]1CCS(=O)(=O)C1 1358959513 KKXBGPKCKLBDAM-QFIPXVFZSA-N 466.611 2.319 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H](C)N(C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1358960263 AKEZACJWQCNHNS-TZIWHRDSSA-N 464.595 2.492 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1CC(=O)Nc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1358964835 IFNNQOHJDFZTRG-LJQANCHMSA-N 487.582 2.335 30 10 JEEE C#CCN(c1nnc(COCC)n1Cc1cc(Br)ccc1OC)[C@H]1CCS(=O)(=O)C1 1358967693 QFTSUYNPHLJVFP-KRWDZBQOSA-N 497.415 2.261 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(F)ccc2Br)n1C[C@@H]1CCS(=O)(=O)C1 1358971973 PCOOGGSNNLOEJT-AWEZNQCLSA-N 465.348 2.354 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1nncn1-c1ccccc1 1358986467 XMOSIXGLKNRVIE-RUZDIDTESA-N 459.554 2.411 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccccn2)n1CCS(=O)(=O)NC(C)C 1359016041 NIQFBPQNCKVOBZ-UHFFFAOYSA-N 456.547 2.447 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCc2ccc(OC)c(OC)c2)CC1 1359038219 NRSNBHAHFHGKOU-UHFFFAOYSA-N 494.621 2.285 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2CC2(OCCOC)CCOCC2)CC1 1359044421 FTSJJLDQCVSNKS-UHFFFAOYSA-N 473.618 2.114 30 10 JEEE C=C(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(Cn2ccnn2)CC1)c1ccccc1 1359137807 BLBHKYRYLWPQJS-GOSISDBHSA-N 470.603 2.110 30 10 JEEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1359222108 YASLJCBGSDQVHC-SFHVURJKSA-N 456.547 2.292 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1C[C@@H](C)O[C@H](CC)C1 1359298739 KLCVGZHBGDAPHG-QZTJIDSGSA-N 479.585 2.371 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 1359302455 ICGKQLIUSDWMEC-UHFFFAOYSA-N 497.962 2.321 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H]1c1cccc(OC)c1 1359327119 SMRPWVWXZAUGSA-IBGZPJMESA-N 461.588 2.367 30 10 JEEE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3ccccc3Cl)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1359357455 GXYJZXUUSHNNMW-BIBRTQAFSA-N 497.987 2.430 30 10 JEEE C=CCN(CCc1ccco1)CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 1459834246 LNNHPWXRGLJIGI-UHFFFAOYSA-N 451.976 2.497 30 10 JEEE COC(=O)[C@H](NCC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)c1ccc(F)c(C)c1 1473356771 IFEPKWVEEIUHFJ-JTHBVZDNSA-N 456.493 2.486 30 10 JEEE CN(C)C(=O)CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(CS(C)(=O)=O)CC2)CC1 1503356852 AYOXMSQIGWRHEN-UHFFFAOYSA-N 484.626 2.336 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2CC2([S@](C)=O)CC2)c1 1507548641 BRGYYEYHYUBPBY-YTTGMZPUSA-N 450.568 2.251 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Cl)n1C[C@@]1(C)COCCO1)[C@H]1CCS(=O)(=O)C1 1507628867 ISALYQWCKGMNRM-KKSFZXQISA-N 464.975 2.031 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1ccc([C@H](C)O)cc1)[C@@H]1CCS(=O)(=O)C1 1507631396 OZSQLGYWFUCIPV-GHTZIAJQSA-N 465.579 2.377 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CCOCc1ccccc1)[C@H]1CCS(=O)(=O)C1 1507633043 AFFVVLAWLWTDHC-QFIPXVFZSA-N 465.579 2.107 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 1507690647 URIOZBGJBWYSRN-CADBVGFASA-N 477.631 2.143 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccnc(SC)c2)CC1 1507740090 XGEJUYRHQNMERW-LJQANCHMSA-N 454.600 2.303 30 10 JEEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1507848016 STCHWDZHXVWVHM-JTSKRJEESA-N 461.588 2.247 30 10 JEEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1507919108 LCUYZRZJJRETGB-FQEVSTJZSA-N 471.650 2.136 30 10 JEEE CN(C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1)c1ccco1 1516979036 FVOZGPKNSSCNHX-HXUWFJFHSA-N 483.598 2.184 30 10 JEEE Cn1ccnc1-c1csc(NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1 1535208936 CKRGMMITEODVAG-UHFFFAOYSA-N 456.553 2.455 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CCOCC)CCCC1 1539017006 XCEDJQNNLDHPFL-RBUKOAKNSA-N 467.636 2.056 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2CC(=O)NCc2ccco2)c1 1539045283 BNPGMRPNDRJDFE-UHFFFAOYSA-N 483.532 2.230 30 10 JEEE C#CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1539115425 BDELMCLICQHROC-MSOLQXFVSA-N 477.569 2.375 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCOC1CCCCCC1)[C@H]1CCS(=O)(=O)C1 1539229939 AIJZSWQVHCMEFK-ONTIZHBOSA-N 494.658 2.368 30 10 JEEE C#CCN(c1nnc(CCCc2ccccc2)n1C[C@@H]1CC=CCO1)[C@H]1CCS(=O)(=O)C1 1539231708 XAZRPNQQLYHCSG-VXKWHMMOSA-N 454.596 2.425 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCNC(=O)C(C)(C)C)CC1 1539429771 CRXXCXXFFBKOTC-GOSISDBHSA-N 456.566 2.475 30 10 JEEE C#CCSCCn1c(N2CCC(Cn3ccnn3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1539530879 OIABZPMRNFWIFZ-JOCHJYFZSA-N 459.620 2.193 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)CC(=O)N1CCOCC1 1539620940 ONLLIOYGTZNMDU-DNVCBOLYSA-N 493.406 2.312 30 10 JEEE C=C1CCN(c2nnc(COc3ccccc3OCC)n2CCN2CCCS2(=O)=O)CC1 1539859521 SBRCLZGDDJRPRF-UHFFFAOYSA-N 461.588 2.448 30 10 JEEE C=CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(S(C)(=O)=O)CC1 1539999568 MZYJJFMPFPCNFA-UHFFFAOYSA-N 466.633 2.218 30 10 JEEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2c(F)cc(F)cc2C1 1540019797 DGSQWTJGTVNERB-AWEZNQCLSA-N 455.531 2.322 30 10 JEEE C=CCN(CCOC)c1nnc(-c2ccc(Br)cc2)n1C[C@@]1(O)CCN(C)C1 1540192055 VSWLZAFOWQDWJN-HXUWFJFHSA-N 450.381 2.413 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CCC(S(C)(=O)=O)CC1 1540898577 OEDPQLHVXSWTPC-UHFFFAOYSA-N 473.020 2.213 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@@H](C)O[C@H](C)C1 1540900028 IZBPFONKDZKWNL-HZPDHXFCSA-N 450.561 2.177 30 10 JEEE CC(C)(C)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)C1 1541166161 FMFPXDLVTDHLMC-IBGZPJMESA-N 452.559 2.460 30 10 JEEE C[C@H]1CC(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCS(=O)(=O)CC2)C[C@H](C)O1 1543690003 CQGJYZHGYPTJFQ-IRXDYDNUSA-N 459.572 2.167 30 10 JEEE Cn1ccnc1C(=O)N1CCC([C@@H]2CN(c3ccc(C#N)c(C(F)(F)F)c3)C[C@H]2C(N)=O)CC1 1548397241 AEZWSBWHZFEVRF-ZWKOTPCHSA-N 474.487 2.401 30 10 JEEE CNS(=O)(=O)CCn1c(-c2cccc(Br)c2)nnc1N1CCC[C@](C)(C#N)C1 1554502313 IEHKKVUDAACQCQ-GOSISDBHSA-N 467.393 2.387 30 10 JEEE COCC1(Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CCO[C@H](C#N)C2)CCOCC1 1555294993 DEIRANZDPMANGP-HXUWFJFHSA-N 468.558 2.319 30 10 JEEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@@H](COC(C)C)C1 1587847249 GRIVPWDBDUBGQN-GOSISDBHSA-N 450.543 2.236 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@H]1CCCN1CC)[C@@H]1CCS(=O)(=O)C1 1588070010 VFFHHZNKSXOXAJ-WOJBJXKFSA-N 475.590 2.107 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN(C)CC(F)(F)F)CC1 1588908536 SJYRBNMFWCEUJA-UHFFFAOYSA-N 473.503 2.277 30 10 JEEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1593636368 JTBKFMHSNMQWEE-RBUKOAKNSA-N 457.579 2.339 30 10 JEEE C=C(C)Cn1c(N2CCN(c3nccc(OCC)n3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1593683119 ILFCGGOAPWODCD-QHCPKHFHSA-N 457.579 2.410 30 10 JEEE C=C(Cl)Cn1c([C@@H](C)OCCOC)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1593817336 AEWJATJNOSRFSW-HZPDHXFCSA-N 459.975 2.485 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccccc2OCC)CC1 1594241497 RZOBAMUCHPJAND-OAQYLSRUSA-N 475.615 2.460 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC2(CC1)COC(=O)N2 1595477120 RFAUFQZDMGMAQH-GOSISDBHSA-N 468.558 2.416 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC(O)(C(F)(F)F)CC1 1595490714 YEAICQVWUIJHHZ-UHFFFAOYSA-N 491.312 2.242 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(Cc2cnc(C)s2)CC1 1595577069 IEVJLFNKMLBNAG-UHFFFAOYSA-N 492.609 2.118 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 1595784527 ICNRQXPHDXFXSR-UHFFFAOYSA-N 489.001 2.376 30 10 JEEE C=CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(C)C(=O)[C@H]1C 1595877838 BKDBMYSODVVPDF-QGZVFWFLSA-N 456.620 2.038 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(c2ccc(F)cc2F)CC1 1596781342 AQMJKLMEVWAQMN-ZIAGYGMSSA-N 452.531 2.494 30 10 JEEE CCCN(CC)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1614711263 CRMTYQZPTDDSBO-UHFFFAOYSA-N 480.617 2.123 30 10 JEEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CC1(CCOC)CCC1 1616922473 APBAEDONVOVDKJ-SFHVURJKSA-N 454.579 2.398 30 10 JEEE COc1cc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(CC#N)CC2)ccc1C 1619097901 FWMNAFZZFZPELQ-OAQYLSRUSA-N 488.614 2.106 30 10 JEEE N#C[C@@]1(F)CCN(c2nnc(C(=O)Nc3ccccn3)n2CCOc2ncccc2Cl)C1 1620345594 GDXMVEIBUZVSGY-FQEVSTJZSA-N 456.869 2.495 30 10 JEEE C#CCN(C(=O)CCN1CCN(c2ccccn2)CC1)C1CCN(C(=O)OC(C)(C)C)CC1 1645455188 ZYFBKIKNMXKCOV-UHFFFAOYSA-N 455.603 2.455 30 10 JEEE COc1ccc(S(=O)(=O)N2CCC(NC(=O)N3CCC[C@@](C)(C#N)C3)CC2)cc1OC 1679169313 FGJIEFPTGXRQAE-NRFANRHFSA-N 450.561 2.192 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cn2cc(Cl)cc(Cl)c2n1 1689826970 XQOBCDKLQJGZKA-VXGBXAGGSA-N 470.386 2.349 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)c1ccc(OC)cc1 1689852556 HGCDIOHAGUNOQP-PXNSSMCTSA-N 475.615 2.055 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H]2CCCOC2)c1 1689868768 QEQYNVCZOBUTSW-NBGIEHNGSA-N 467.570 2.413 30 10 JEEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1ccc(C(=O)NCC)cc1)[C@H]1CCS(=O)(=O)C1 1689979759 GULKCNXVMJOIKH-PXNSSMCTSA-N 457.600 2.216 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1689982138 ILVLZAIYPKESLM-HXUWFJFHSA-N 457.600 2.066 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@]1(O)CCO[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1689983577 DCAOOVMSYGDXLO-IVZHQMGZSA-N 499.420 2.419 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H](C)Oc1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 1689998253 GXJKILCXBGBLFH-BBTUJRGHSA-N 474.583 2.232 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC[C@H]1CCOC1 1690103308 BYEFBEGOMNQIJG-OALUTQOASA-N 463.579 2.099 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC2(C(N)=O)CCCC2)CC1 1690111999 OGBYNXXVCARSOY-GOSISDBHSA-N 454.550 2.358 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCN2CCOC[C@@H]2C)CC1 1690152537 ONHLGLIEWWGKBF-QFIPXVFZSA-N 494.640 2.160 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCCOc2ccccc2C)CC1 1690152626 RUQDOKZJLXMHMR-UHFFFAOYSA-N 478.597 2.144 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CC[C@@H](C(N)=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1690254179 YMZRGDCWXBMIRL-APAFKAMOSA-N 474.606 2.342 30 10 JEEE C=C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@](C)(O)CCOC)CC1 1690367592 UQVQYGICHCCWDQ-JOCHJYFZSA-N 463.604 2.139 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1-n1nc(C)cc1C 1690528293 ZAUYQFWWUOVJMS-NRFANRHFSA-N 485.614 2.084 30 10 JEEE C=CCN(c1nnc(C(=O)N2CCCC2)n1CCOc1ccc(S(C)(=O)=O)cc1)C1CC1 1690536229 QSAFPVZWGXEJEC-UHFFFAOYSA-N 459.572 2.151 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(=O)NCC(F)(F)F)C1 1690689997 PKVSMJVBBNBULU-OAHLLOKOSA-N 454.409 2.313 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@H](C)O[C@@H](CC)C1 1690724100 ICEJWUXYEGIIAR-ICSRJNTNSA-N 489.646 2.057 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCC(NC(=O)C2CC2)CC1 1690725244 JQYVVGXTHRQNJJ-UHFFFAOYSA-N 471.627 2.273 30 10 JEEE Cc1ccc(S(=O)(=O)NCCn2c(Cc3ccncc3)nnc2N(C)[C@@H](C)CC#N)s1 1693157510 CHEXYAWPJYULNF-HNNXBMFYSA-N 459.601 2.351 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCCN1CCN(CC)CC1 1705481174 BAESCIFYFLBCDW-HXUWFJFHSA-N 472.659 2.224 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OCC)CCOC3)n2CC2=CCCOC2)c1 1705504015 KMERLYWYIDBYKQ-RUZDIDTESA-N 465.554 2.333 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCOC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1705563023 PDKJEDOFLUUGEO-INIZCTEOSA-N 451.980 2.435 30 10 JEEE C#CCN(c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1705564694 CFCQNYCAEDJQDW-IEBWSBKVSA-N 468.583 2.177 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1ccc(F)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1705565399 ICKAEPZZPVSYIS-IAGOWNOFSA-N 450.511 2.125 30 10 JEEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 1705584880 BSMXZMLXDUXRJB-LJQANCHMSA-N 454.575 2.120 30 10 JEEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1ccc(OC)c(Br)c1 1705630591 ZHVXSDFAWUJTNT-UHFFFAOYSA-N 476.375 2.306 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCc2ccccc2C)CC1 1705644757 AZYGUVZPBLVVKC-SANMLTNESA-N 465.598 2.447 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2cccc(C)c2)CC1 1705645031 IYUWWQWONHHITB-VWLOTQADSA-N 451.571 2.253 30 10 JEEE C=C(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1705724650 DJPSNKJWGWTESM-QGZVFWFLSA-N 464.574 2.207 30 10 JEEE C=C(C)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1705725031 GJLCKJKWUQVNCK-ROUUACIJSA-N 487.605 2.441 30 10 JEEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1705812759 LGPMCAGGDWCIAD-HXUWFJFHSA-N 469.615 2.338 30 10 JEEE CC(C)(C)[S@](=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(S(C)(=O)=O)CC1 1706187463 ATROWEPHCLWALG-SSEXGKCCSA-N 463.629 2.377 30 10 JEEE CC(C)COC(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCN(C)C2)CC1 1706519492 AUPBFXDHHOLVCO-RUZDIDTESA-N 481.601 2.188 30 10 JEEE Cc1cccc(OCc2nnc(N3CCC[C@](C)(C#N)C3)n2CC2(O)CCS(=O)(=O)CC2)c1 1707627337 GIKASTUWQABEBG-JOCHJYFZSA-N 473.599 2.235 30 10 JEEE N#C[C@@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC2CCN(CC(F)(F)F)CC2)C1 1712875737 GYPUDJNDNOMCIC-APWZRJJASA-N 492.543 2.287 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1conc1COC 1722292651 WRLANJFXZOFZRW-YJBOKZPZSA-N 460.535 2.227 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc(Cl)nc3)n2C[C@@H]2CCS(=O)(=O)C2)c1 1722305502 RIWDVVPZIKUCRV-KRWDZBQOSA-N 498.996 2.484 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CCCCNC(=O)OC(C)(C)C 1722371682 ZVHDPPZKPQBADM-UHFFFAOYSA-N 451.531 2.303 30 10 JEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(F)(F)Br 1722379240 MUBTZHRLXHMSLG-UHFFFAOYSA-N 471.331 2.299 30 10 JEEE C#CCN1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2C[C@H](OC)[C@H](C)CC)CC1 1722438275 PISYHOXFLHQFLX-KNQAVFIVSA-N 477.613 2.491 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCOCCOC 1722472561 HEKJLYZVDXFHIM-WZONZLPQSA-N 463.579 2.242 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1722694209 OHIOMYVFSFXGRD-HXUWFJFHSA-N 493.793 2.380 30 10 JEEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2ccc(F)cc2)CC1 1722702549 PJXZFVBOVMQJLX-UHFFFAOYSA-N 483.573 2.038 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2OC)nnc1N1CCOCC2(CCC2)C1 1722732264 XDQRCCVPULZCNX-UHFFFAOYSA-N 476.599 2.473 30 10 JEEE C[C@@]1(C#N)CCCN(c2nnc(Cc3ccccn3)n2CCc2ccc(S(N)(=O)=O)cc2)C1 1724010245 IBMWKCNZSQTHLO-QHCPKHFHSA-N 465.583 2.284 30 10 JEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1740573273 ASPYHODSCKJEOU-LEWJYISDSA-N 453.568 2.433 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1CCc1ccncc1)[C@H]1CCS(=O)(=O)C1 1740619792 LCFBIFVDULPHEE-FQEVSTJZSA-N 481.578 2.227 30 10 JEEE C#CCN(c1nnc(C2CCC2)n1Cc1ccnc(OC(F)F)c1)[C@H]1CCS(=O)(=O)C1 1740622783 IMCLZAJHZZCMIE-INIZCTEOSA-N 451.499 2.217 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2Cc2cccnc2OCCC)CC1 1740706835 FOLCAQLHYMXYQE-UHFFFAOYSA-N 473.581 2.462 30 10 JEEE C=CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1)C1CC1 1740908141 MGLXFXQXWRRPSD-MRXNPFEDSA-N 461.588 2.399 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CCCN(C(=O)C(C)C)CC1 1740993974 LFJVVLGICGQBLC-UHFFFAOYSA-N 493.605 2.292 30 10 JEEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2ccc3c(c2)OCCO3)CC1 1740995250 FWOYWYBCEUPVHO-UHFFFAOYSA-N 486.642 2.429 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CCn1cccn1 1740995465 MYMQMORYCXVQBS-SFHVURJKSA-N 493.634 2.284 30 10 JEEE C=CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1741002421 NBRGEQZMRLLTFZ-INIZCTEOSA-N 453.609 2.397 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CCNC(=O)c1cc[nH]n1 1748656706 WNPDWMYWWCVMNK-INIZCTEOSA-N 451.531 2.352 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2CCCC(=O)NC2CC2)c1 1748692158 SOZWGKHYYZOEQV-UHFFFAOYSA-N 459.554 2.399 30 10 JEEE C#CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@@H](C(=O)OC)C1 1748712202 FLTCUBOWXACUCU-QGZVFWFLSA-N 458.588 2.431 30 10 JEEE C#CCCCn1c(Cc2ccncc2)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1748756032 HCQPFDJZSGHGST-UHFFFAOYSA-N 464.595 2.329 30 10 JEEE C#CCCCn1c(N2CCCN(c3nc(CC)ns3)CC2)nnc1[C@@]1(OCC)CCOC1 1748764476 PMEWRNKFZDMZER-JOCHJYFZSA-N 459.620 2.474 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@H](C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 1748818468 BUHDOYQBZJQMNJ-KNQAVFIVSA-N 473.618 2.367 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(C)cc1F)[C@@H]1CCS(=O)(=O)C1 1748821691 SSONMWXBAAFDBZ-HXUWFJFHSA-N 470.574 2.262 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(Br)c2)n1CCS(=O)(=O)N(C)C 1748889424 JHGHNWPOSFGMEO-UHFFFAOYSA-N 494.415 2.071 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCc2csc(C)n2)CC1 1749003413 JEAMNDZZYHWWCS-DEOSSOPVSA-N 486.642 2.292 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2CCN2CCSCC2)CC1 1749019267 RAGHATHUUHYMNZ-UHFFFAOYSA-N 486.617 2.011 30 10 JEEE C#CCSCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@@H](COC)C1 1749023442 VJXLWCQANUXULQ-QGZVFWFLSA-N 462.645 2.386 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1nc(O)c2sccc2n1 1749229467 KVAWMQIWZMUVMH-CQSZACIVSA-N 478.600 2.120 30 10 JEEE C=C1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCCNS(C)(=O)=O)CC1 1749303879 RNPDOKDIXCZBEZ-UHFFFAOYSA-N 482.651 2.488 30 10 JEEE C=C1CCN(c2nnc(COc3ccccc3OC)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1749311502 PXIQBFZSYRYALI-SFHVURJKSA-N 461.588 2.304 30 10 JEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC(O)(c2ccccc2)CC1 1749676638 XUBNOGZBJPHBJQ-UHFFFAOYSA-N 452.584 2.424 30 10 JEEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1749677519 BOPIVCGZNLLZJT-UHFFFAOYSA-N 494.518 2.363 30 10 JEEE C=CCOc1ccc(Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCC[C@@H](C(N)=O)C2)cc1 1749687548 WFSMNUXNWUCWDV-DYXWJJEUSA-N 455.559 2.317 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2CCN(CC)C2)C1 1749695931 MBOYGBZMKYWTMK-AZUAARDMSA-N 459.616 2.472 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1749724837 NYCPUBHRZOFUJW-IBGZPJMESA-N 466.629 2.122 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCCN(C(=O)C(C)C)CC1 1749738836 YSUJOLKNBNCVKG-UHFFFAOYSA-N 451.637 2.306 30 10 JEEE N#Cc1ccc(OCc2nnc(N3CC[C@@H](C(N)=O)C3)n2CC2CCN(CC(F)(F)F)CC2)cc1 1750383847 FEIWJODTJLOKNY-GOSISDBHSA-N 491.518 2.315 30 10 JEEE C[C@@](O)(Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@H](C#N)C1)c1ccco1 1751237030 BBYXMHXTNDVDEB-VGOFRKELSA-N 470.917 2.091 30 10 JEEE C#CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H](C)CN1CCOCC1 1760171311 ACGQMPDMMKCSQH-UXHICEINSA-N 460.623 2.430 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1CCN1CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1760188578 BXJPXSXTDZRFMC-TZIWHRDSSA-N 473.618 2.367 30 10 JEEE C#CCN(CC)c1nnc(CSc2ccc(Cl)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1760238991 RZUWKHYEFURHTN-LJQANCHMSA-N 455.005 2.233 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCc2ccc(Cl)cc2)CC1 1760264860 GVHBCLIIKLZLHF-UHFFFAOYSA-N 456.978 2.278 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccc(OC)cc3)n2CCN2CCSCC2)CC1 1760271314 UCQMOJLVWFWOLC-UHFFFAOYSA-N 496.681 2.087 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(C)C)CC1 1760322586 UVHVNUJGTPPPIJ-ZCNNSNEGSA-N 451.637 2.082 30 10 JEEE C=C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1760381880 CPMKDHCHCFZGJL-IERDGZPVSA-N 450.536 2.263 30 10 JEEE C=CCCCCn1c(C(=O)NC(C)C)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1760421465 PVNFZBKMQDIZQT-TZIWHRDSSA-N 459.639 2.152 30 10 JEEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](Oc2ncccc2F)C1 1760433289 RDIRSMMWRWADTH-HZPDHXFCSA-N 452.556 2.436 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@@H](C(=O)NC)C1 1760516619 ROAORHPIMOQGFF-RTBURBONSA-N 454.575 2.300 30 10 JEEE COC(=O)N1CCC(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N(C)C[C@@H](C)C#N)CC1 1769462828 DSUYBQDNSPJLPL-INIZCTEOSA-N 474.587 2.423 30 10 JEEE N#Cc1cccc(-c2nnc(N3CCN(CC(F)(F)F)CC3)n2C[C@@]2(O)CCSC2)c1 1770735232 GEJCJGAWNCZDPO-IBGZPJMESA-N 452.506 2.369 30 10 JEEE COc1cc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2CCNC(C)=O)ccc1O 1862754505 MNVSABMZOOYPPR-LJQANCHMSA-N 455.423 2.023 30 10 JEEE C=CCN(CC=C)c1nc(NC(=O)COc2cc(F)ccc2F)n([C@@H]2CCS(=O)(=O)C2)n1 1870004653 HAYCLFDXXDPXAM-OAHLLOKOSA-N 467.498 2.112 30 10 JEEE CC(=O)Nc1ccc(-n2nnc(C#N)c2NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)cc1 1870155946 OBHMRKCUAWLWDJ-UHFFFAOYSA-N 450.371 2.475 30 10 JEEE CC(=O)N1CCN(Cc2cc(=O)c(OCc3ccc(C#N)cc3)cn2Cc2ccccn2)CC1 1870350317 ZKYVFIBVMKIHJA-UHFFFAOYSA-N 457.534 2.406 30 10 JEEE COCCc1nnc(SCC(=O)NCc2ccco2)n1/N=C/c1ccc(OC)c(OC)c1 1874470692 NDZVLAPYZYLZJB-FSJBWODESA-N 459.528 2.368 30 10 JEEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)[C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)CC1 1891212884 NPJFPYRJWFXZPV-QFIPXVFZSA-N 476.662 2.280 30 10 JEEE COCCCn1c(C(=O)N2CC(COc3cccnc3C#N)C2)cc2c(=O)n3ccccc3nc21 1891686092 NEOCNBYKXSHQPW-UHFFFAOYSA-N 472.505 2.103 30 10 JEEE Cc1ccc(C(=O)N[C@H](C)C2(O)CN(C(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 1963042283 NFPHAHVCLOZXCV-MRXNPFEDSA-N 460.380 2.394 30 10 JEEE C#CCOCCOCC[S@@](=O)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 2019053807 RSFIJJPAMXLPLK-GRMGDBHTSA-N 485.558 2.393 30 10 JEEE Cn1nc(C(=O)NC/C=C/CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2255654493 XTSYLPSWNVSBKV-MDZDMXLPSA-N 454.764 2.183 30 10 JEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NOC1CN(C(=O)OC(C)(C)C)C1 2255747264 HXNCCMNTPKMDQT-UHFFFAOYSA-N 474.410 2.185 30 10 JEEE Cc1c(B2OC(C)(C)C(C)(C)O2)csc1C(=O)N(C)C[C@H](O)CNC(=O)OC(C)(C)C 2255870950 KDAGXKMXUALFJX-CQSZACIVSA-N 454.398 2.313 30 10 JEEE CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1CNC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2267140609 RFADAEOPSZXZNX-LBPRGKRZSA-N 456.299 2.083 30 10 JEEE CS[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2267272128 XJUDWLUYALIMKZ-HZPDHXFCSA-N 463.409 2.462 30 10 JEEE CC(C)(C)OC(=O)N1CCOCCN1C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2267497815 PLCKEILRJBDHNM-UHFFFAOYSA-N 451.304 2.144 30 10 JEEE Cn1ncc(C(=O)N[C@@H](CNC(=O)OCc2ccccc2)C(F)(F)F)c1B1OC(C)(C)C(C)(C)O1 2267505638 LMJKFBWPNBNQIN-INIZCTEOSA-N 496.295 2.306 30 10 JEEE Cc1cnc(C(=O)NC[C@H]2COCCN2Cc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)c1 2281956289 WKWGRYAQPBYFQP-FQEVSTJZSA-N 451.376 2.320 30 10 JEEE Cc1nn(C)c(C(=O)N(C)C[C@H]2CCCN2C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2281990589 OXSGTGSRQOECIM-MRXNPFEDSA-N 462.400 2.499 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2C[C@@H](NC(=O)OC(C)(C)C)C23CCC3)n1 2282051157 RQNKCHKGORSGMS-HZPDHXFCSA-N 460.384 2.285 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2CCC[C@]2(NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2282178864 PUCAPCFFFNSIJL-CMJOXMDJSA-N 458.368 2.295 30 10 JEEE C[C@H]1C[C@@H](N(C)S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)nn2C)CN1Cc1ccccc1 2282343344 DPLBLZLMQVHCPW-PKOBYXMFSA-N 474.436 2.003 30 10 JEEE C[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1S(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2282346562 WVEILYOZRYACSJ-BBRMVZONSA-N 476.326 2.206 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1COCCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2F)C1 2282397142 KBEAYFUOOWOQTJ-INIZCTEOSA-N 464.343 2.491 30 10 JEEE CCCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@@](C)(CO)NC(=O)OC(C)(C)C 2282562428 ZGHKMDDBQGWIGO-QHCPKHFHSA-N 465.400 2.203 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(C)C1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 2282591319 OMJOSOUEKRYCSO-HUUCEWRRSA-N 460.384 2.140 30 10 JEEE C[C@@H]1CN(S(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CC[C@H]1NC(=O)OC(C)(C)C 2282829592 HAOPZGZPKWFUSW-CRAIPNDOSA-N 481.424 2.305 30 10 JEEE C=C(CS(=O)(=O)N1CCN([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1)B1OC(C)(C)C(C)(C)O1 2282874636 DAOQBVWBSIRDIP-GOSISDBHSA-N 485.456 2.131 30 10 JEEE CO[C@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2O)C[C@H]1NC(=O)OC(C)(C)C 2282986348 PEVREADSDNWALK-AEFFLSMTSA-N 462.352 2.056 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)NCCc2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2283950725 OCNHXUDCXRFQOF-LJQANCHMSA-N 460.380 2.280 30 10 JEEE CC(C)(C)OC(=O)N1[C@H](C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)C[C@H]2OCC[C@H]21 2283963179 IFDXXHWRZBXPQN-OWCLPIDISA-N 459.352 2.486 30 10 JEEE COc1ccc([C@H]2C(=C(O)c3cccc([N+](=O)[O-])c3)C(=O)C(=O)N2CCOCCO)cc1OC 2296167155 ZKGOTAYPRYZNQW-FQEVSTJZSA-N 472.450 2.043 30 10 JEEE COCCc1nnc(SCC(=O)NCc2ccco2)n1N=Cc1ccc(OC)c(OC)c1 2331273688 NDZVLAPYZYLZJB-UHFFFAOYSA-N 459.528 2.368 30 10 JEEE CC(C)(C)OC(=O)N1[C@H](COc2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)CCS1(=O)=O 2345675987 AQZKGCZLDKMUQX-ZDUSSCGKSA-N 472.344 2.238 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@]2(C)C1 2362356102 FMJYYRGZUGYBNR-WNSKOXEYSA-N 460.384 2.048 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)OC(C)(C)C)n1C 2362489168 FIFLGJPYRHKYQN-OAGGEKHMSA-N 460.384 2.155 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](CO)[C@H](NC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)CC1 2362565250 BSJHXAZOBABDKH-GOEBONIOSA-N 481.424 2.180 30 10 JEEE CC(C)(C)OC(=O)N1CCCN(CCN=c2cc(B3OC(C)(C)C(C)(C)O3)c(F)c[nH]2)CC1 2371998972 TXCABFOBXNHBHP-UHFFFAOYSA-N 464.391 2.297 30 10 JEEE CCOc1ccc(NC(=O)CSc2nnc(N/N=C/c3cccc([N+](=O)[O-])c3)n2N)cc1 20291814 JNLAGNQOYNZYDB-SRZZPIQSSA-N 456.488 2.476 30 10 JEEE C=CCNC(=O)CN1CCN(CC(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)CC1 23265705 IGZUOLJMSHSZCR-FQEVSTJZSA-N 463.582 2.036 30 10 JEEE C=CCc1cc(CNC(=O)C2CCN(S(=O)(=O)c3c(C)n[nH]c3C)CC2)cc(OC)c1OC 522672720 DIWJVWQRWMBXPR-UHFFFAOYSA-N 476.599 2.489 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)N3CCC(C(=O)N4CCC[C@H](C)C4)CC3)cc2C1=O 918812359 MNEXIGIFRJMAAZ-KRWDZBQOSA-N 481.549 2.123 30 10 JEEE COc1cccc(C(=O)CSc2nnc(NN=Cc3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2N)c1 1084045042 XRDGKLQAGOXDGR-UHFFFAOYSA-N 472.443 2.238 30 10 JEEE COc1ccc(OC)c(NC(=O)CSc2nnc(NN=C(C)c3ccccc3O)n2N)c1 1084229706 BACWXCUCCOHUCE-UHFFFAOYSA-N 457.516 2.282 30 10 JEEE CC(=O)Nc1cccc(NC(=O)CSc2nnc(NN=C(C)c3ccccc3O)n2N)c1 1084449435 MCEMOZNYMQRMFI-UHFFFAOYSA-N 454.516 2.223 30 10 JEEE C#C[C@H]1CCCN(C(=O)c2cc(S(=O)(=O)NC[C@H]3CCCO3)ccc2Br)C1 1163599537 UMBWQJZQSVIAMP-LSDHHAIUSA-N 455.374 2.392 30 10 JEEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc3c(c2)CC(Cl)(Cl)C3=O)n1 1189895675 AQTNJBSKARKTPL-UHFFFAOYSA-N 456.351 2.266 30 10 JEEE CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)c1ccc(C#N)cc1Cl 1259108024 FCZMWVKACHVOPZ-HNNXBMFYSA-N 457.936 2.385 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCn1cc(Br)cn1 1286283955 VTOWFXUJICITRS-AWEZNQCLSA-N 467.335 2.038 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(OCC(F)(F)F)nc1 1286297816 DNIHVOCSBFZZSH-GDBMZVCRSA-N 471.505 2.217 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCSC(CC)(CC)C1 1286351536 FEMROEPXEYSYRE-QGZVFWFLSA-N 455.650 2.136 30 10 JEEE C#CCN(c1nnc(C(C)C)n1Cc1ccc(N2CCOCC2)c(F)c1)[C@H]1CCS(=O)(=O)C1 1286386184 WDEFISKESKOSDB-IBGZPJMESA-N 475.590 2.052 30 10 JEEE C#CCN(c1nnc(C2CCC2)n1CCc1ccc(NC(C)=O)cc1)[C@H]1CCS(=O)(=O)C1 1286393164 KLKAXPVWOYAQNV-NRFANRHFSA-N 455.584 2.373 30 10 JEEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1CCOc1ncccc1F 1286433909 OYOPLILLZGEQGA-UHFFFAOYSA-N 452.515 2.346 30 10 JEEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCNc1ncc(Cl)cc1Cl 1286454431 WZTKOIWKGRUGMO-GFCCVEGCSA-N 460.391 2.162 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2ccc(Cl)s2)CC1 1286489776 BNPYMWIDMLBJSG-INIZCTEOSA-N 460.991 2.153 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2C[C@@H](C)CN2CCN(CC)CC2)CC1 1286494983 WLLLAKOUULSKJT-QFIPXVFZSA-N 483.705 2.250 30 10 JEEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1286539535 ZINRKWGWDIMXKJ-QUJCMNEKSA-N 467.368 2.241 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCC(NC(=O)COC)CC1 1286561476 NRRAINQHRIFPDT-AVRDEDQJSA-N 454.575 2.361 30 10 JEEE C=C1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCCN(C)CCOC)CC1 1286644529 BBQCPOOGWRTTQB-UHFFFAOYSA-N 451.575 2.317 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 1286784983 AOMYTQGCWRGDBQ-MRXNPFEDSA-N 454.556 2.243 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1286823069 JOAPBYZPLTXNJO-LJQANCHMSA-N 491.589 2.188 30 10 JEEE CC(C)(C)NC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCOC2)CC1 1287047560 FPIRHTVAOMJPQG-IBGZPJMESA-N 467.574 2.395 30 10 JEEE CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1295083359 FGFYLGPYZCCQEB-RHSMWYFYSA-N 466.464 2.363 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2Cc2cnn(CC(C)C)c2C)c1 1300333127 WTNCPPKLGJUINV-JOCHJYFZSA-N 488.596 2.495 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CC1CC2(CCOCC2)C1)[C@H]1CCS(=O)(=O)C1 1300479608 QHRQGELQRCFTNM-FQEVSTJZSA-N 491.658 2.030 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CC1(SC)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1300482446 FZCCTIFZUBKVFM-LJQANCHMSA-N 490.651 2.493 30 10 JEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1C[C@@H]1CCCN(C(C)=O)C1)[C@H]1CCS(=O)(=O)C1 1300482461 GEVOSWCNZXYFPM-NQIIRXRSSA-N 490.029 2.484 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H](C)Oc1ccccc1OC)[C@@H]1CCS(=O)(=O)C1 1300487689 LHTRNHYBSCYHLE-QZTJIDSGSA-N 469.567 2.376 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCC1(COC)CCCC1)[C@@H]1CCS(=O)(=O)C1 1300505140 XZJUVYXVWDLJEB-OAQYLSRUSA-N 488.658 2.363 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1nnc(CC)s1 1300606231 JLBMEXOFFCGXGI-UHFFFAOYSA-N 459.601 2.117 30 10 JEEE C#CCSCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCN(CCOC)CC1 1300742854 CGYMJISLXYSQSQ-UHFFFAOYSA-N 451.600 2.470 30 10 JEEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1ccc(C)o1 1300761237 AMZHTRJGJJAZEF-PKOBYXMFSA-N 479.628 2.220 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccccc2OC)nnc1N1CCN(CC(=O)N(C)C)CC1 1300897016 MVLKABQMWSLCOY-CPJSRVTESA-N 498.628 2.057 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1301484148 BUXIEGDPEQLYNM-KGLIPLIRSA-N 482.404 2.456 30 10 JEEE C=CCOc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCSC[C@H]2C)cc1 1301526480 NYDHFKCDNKUKIF-YLJYHZDGSA-N 493.655 2.166 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2cc(F)cc(F)c2)C1 1301539738 WEPVFOMGYCFTCK-RDTXWAMCSA-N 455.531 2.191 30 10 JEEE CC[C@@H](C)[C@](C)(O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1305323971 DRQDVMLGIAEWJO-WAIKUNEKSA-N 451.579 2.311 30 10 JEEE CN(c1nnc(-c2ccc(C#N)cc2)n1CCc1cccnc1)C1CCN(S(C)(=O)=O)CC1 1314682739 AABIWXULTYHSFD-UHFFFAOYSA-N 465.583 2.315 30 10 JEEE COCCN(C)CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@@](F)(C#N)C1 1316071013 GVYMEOMPWJEJBF-HSZRJFAPSA-N 479.601 2.413 30 10 JEEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CCc1c(C)cccc1C)[C@@H]1CCS(=O)(=O)C1 1358956244 CGOUCDZCTNIGFF-PXDATVDWSA-N 486.638 2.416 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCOCCC=C)[C@@H]1CCS(=O)(=O)C1 1358956895 MCRBABMICCFVPC-MRXNPFEDSA-N 482.404 2.255 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCOc1ncccc1Cl)[C@@H]1CCS(=O)(=O)C1 1358961572 BKOWKROPASDEGD-SJLPKXTDSA-N 479.990 2.274 30 10 JEEE C#CCN(c1nnc(CCOc2ccccc2)n1Cc1nccn1C(F)F)[C@H]1CCS(=O)(=O)C1 1358966088 HSTIUYLJVJANJG-KRWDZBQOSA-N 490.536 2.166 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)c1ccccc1F 1359010205 JXMHEBWEIOLPKJ-IBGZPJMESA-N 463.579 2.187 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CC[C@@H]2CCO[C@@H](C)C2)CC1 1359038181 MTUDSPGIQPVSJN-RBUKOAKNSA-N 456.616 2.230 30 10 JEEE C=CCn1c(N2CCN([C@@H](C)C(=O)NC3CCCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1359290691 MKRKXQAQIGOBBD-YADARESESA-N 460.623 2.074 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1359305298 ZIYOCWJKRICLNA-ROUUACIJSA-N 458.950 2.060 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N(C)Cc1nc(O)c2sccc2n1 1359332487 YRFQUJJANQNVST-HNNXBMFYSA-N 478.600 2.467 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H](NC(=O)CC)C1 1359336573 VAUWBTGSAFIAKE-QWFCFKBJSA-N 481.663 2.293 30 10 JEEE COc1ccc(NC(=O)[C@@H]2CSCN2C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)cc1 1360002072 GLDBZKNFHNBONY-UZLBHIALSA-N 450.520 2.460 30 10 JEEE CCS(=O)(=O)CCn1cc(C)c(NC(=O)NCc2cn(C)nc2-c2ccc(C#N)cc2)n1 1476510810 BPPGSVCFVZRJGN-UHFFFAOYSA-N 455.544 2.220 30 10 JEEE C#CCOc1ccc(CNC(=O)NC[C@@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)cc1 1478582864 ZFNFMNYTASANCZ-OAQYLSRUSA-N 453.514 2.355 30 10 JEEE CCOC(=O)N[C@H](CC(C)C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC#N)CC1 1502516541 DCVKAUYYPUNZKI-RTBURBONSA-N 480.635 2.471 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@@H]1CCC=CO1)[C@H]1CCS(=O)(=O)C1 1507634294 JLLOKXMOYRRXCK-PMACEKPBSA-N 456.568 2.197 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2CCCN2C[C@H](C)O[C@H](C)C2)CC1 1507733153 YIOWJZNHWALONM-SZPZYZBQSA-N 482.629 2.120 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2Cc2cc(OC)c(OC)c(OC)c2)CC1 1507737008 XUCRWONOPBRJBG-UHFFFAOYSA-N 478.553 2.313 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2C/C=C\CC)CC1 1507737890 GSODBIKMDBUZBJ-WAYWQWQTSA-N 469.615 2.170 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1507808208 XWEZXQYUYFEXBG-KPFFTGBYSA-N 480.660 2.133 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCC(C(=O)N2CCCC2)CC1 1508136341 RJJRTJZKUWIUDL-UHFFFAOYSA-N 487.626 2.393 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1508144327 CXSHFCWIISSTNA-UHFFFAOYSA-N 454.666 2.081 30 10 JEEE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3cccc(C#N)c3)n2CCCCN2CCC[C@@H]2CO)C1 1508188877 URXGMPYGEMTQCQ-LADGPHEKSA-N 479.629 2.358 30 10 JEEE COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCN(C)C(=O)OC(C)(C)C)CCO1 1518938540 BBDWRUQTQNVZAR-HXUWFJFHSA-N 486.573 2.447 30 10 JEEE C=CCOc1ccc(/C=C\C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cn2)cc1OC 1520403594 NOVLVFIRWAPOLK-UITAMQMPSA-N 459.524 2.328 30 10 JEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CCCN(C)S(=O)(=O)c1ccc(C(C)=O)cc1 1527787808 OFZYAJQZDFAOQM-UHFFFAOYSA-N 450.557 2.093 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1538985145 WXXFJVDTMZPISB-GJZGRUSLSA-N 466.405 2.447 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1539202006 DQUIYKRCOXACCX-QZTJIDSGSA-N 470.599 2.378 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@](C)(O)C1CC1)[C@H]1CCS(=O)(=O)C1 1539205310 GQCFCLYYVRRPAP-HTAPYJJXSA-N 480.537 2.334 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CCCN1C(=O)OC(C)(C)C 1539423467 ZNNDQZIUBCXBCS-ZCNNSNEGSA-N 477.606 2.488 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@]2(C)COCCO2)CC1 1539481684 DDKVHNRCQWTQIG-DEOSSOPVSA-N 471.989 2.294 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@@H](Cn2cccn2)C1 1539615958 MSZIMIHCOSIAHB-NRSPTQNISA-N 471.606 2.280 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CCc2ccccc2)nnc1N1CCN(S(C)(=O)=O)CC1 1539647033 UWVHTRJQKCHILY-IFMALSPDSA-N 459.616 2.126 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCc2ccccc2)nnc1N1CCN(S(C)(=O)=O)CC1 1539647034 UWVHTRJQKCHILY-IRLDBZIGSA-N 459.616 2.126 30 10 JEEE C=CC1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCS(=O)(=O)NC(C)C)CC1 1539878054 PZXCPEYWBSNPRF-UHFFFAOYSA-N 481.644 2.079 30 10 JEEE C=CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1540854887 LGEPBOWHGJZKOJ-QHCPKHFHSA-N 470.618 2.380 30 10 JEEE C=CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 1540855863 BXBADBLOHKDZLL-MRXNPFEDSA-N 451.535 2.458 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1540867912 LOJLSKCISQUGPF-UHFFFAOYSA-N 478.553 2.428 30 10 JEEE C[C@H](CN1CCCC1)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1541874389 FMGMPXZOJQMLRX-QUCCMNQESA-N 472.615 2.084 30 10 JEEE COC(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)OC 1565537392 XWFDREYZNGAQBP-JJOSIXCZSA-N 491.625 2.389 30 10 JEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC(C(=O)Nc2cccc(F)c2)CC1 1584279977 FHIAQSLJCFSCNU-OAHLLOKOSA-N 458.515 2.241 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3noc4c3COCC4)n2CCSC(F)(F)F)CC1 1588923818 MYNYLSNHCMELKR-UHFFFAOYSA-N 484.504 2.225 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1nccs1 1589663358 LWWDPFRXIYYNPY-INIZCTEOSA-N 454.622 2.103 30 10 JEEE C=CCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1594793166 HWWUEUSHHDBEPF-OAQYLSRUSA-N 450.543 2.237 30 10 JEEE C=CCNC(=O)Cn1c(Cn2ccc3ccccc32)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1595569970 SHTQCVVBDLRPIE-UHFFFAOYSA-N 478.601 2.213 30 10 JEEE Cc1nccn1-c1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)cc1F 1612440295 DQRMPNQVMUCSHD-HNNXBMFYSA-N 486.577 2.310 30 10 JEEE CCn1c(CN2CC[C@H](Oc3ccc(C#N)cn3)C2)nc2cc(S(=O)(=O)N(C)C)ccc21 1618233995 GJYVGJIUUOAJEM-KRWDZBQOSA-N 454.556 2.226 30 10 JEEE COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOc2ncccc2Cl)CC1 1619547999 BURGSLLOMCHDGS-UHFFFAOYSA-N 481.944 2.239 30 10 JEEE CC[C@H](NS(=O)(=O)c1ccc(C#N)c(Br)c1)c1cccc(S(N)(=O)=O)c1 1621764934 DQPFHDOHYPUSAS-INIZCTEOSA-N 458.359 2.398 30 10 JEEE CC(=O)N1C[C@@H](C(=O)NCCCc2nn(-c3ccc(C)cc3)c(N)c2C#N)Oc2ccccc21 1634947142 NXRVNZQJDAFOHR-QHCPKHFHSA-N 458.522 2.498 30 10 JEEE C=CCOCCCC(=O)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1638016007 IEIPRUAXJLCSOO-RTBURBONSA-N 450.580 2.363 30 10 JEEE C#CCNS(=O)(=O)c1ccc(C(=O)NCc2csc(NC(=O)OC(C)(C)C)n2)cc1 1646587204 OOFBVFZTEFFDOO-UHFFFAOYSA-N 450.542 2.332 30 10 JEEE C#CCCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCO[C@H](C(=O)NC)C1 1689888256 FHDYIXURROLNFT-OALUTQOASA-N 474.606 2.147 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H](c1ccco1)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1689989994 KTLMQHILTITJIK-NJYVYQBISA-N 489.642 2.475 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1Cc1ccccc1C1OCCO1)[C@H]1CCS(=O)(=O)C1 1689992793 OWDAAYCVQRNVKQ-IBGZPJMESA-N 458.584 2.197 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2c(F)cccc2F)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1690020998 DHKGDPZQQBYQRG-AVRDEDQJSA-N 487.576 2.424 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](CC)N1CCc2ccccc2C1 1690033388 WKFYCTAHYMBAIR-REWPJTCUSA-N 482.654 2.188 30 10 JEEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1(COC)CCOCC1 1690076814 BQHIMFGWCAXZCE-UHFFFAOYSA-N 453.591 2.355 30 10 JEEE C#CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC[C@H](C(=O)NC)C1 1690171016 URBBXBHDOZLBKB-KRWDZBQOSA-N 479.610 2.004 30 10 JEEE C=C(Cl)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1690341091 DWFDYIRJPBMVDU-AWEZNQCLSA-N 467.983 2.268 30 10 JEEE C=CCN(CC=C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCS(=O)(=O)NC 1690594870 IMUNWTAHWFZWNH-UHFFFAOYSA-N 468.624 2.120 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC(Nc2cccnn2)CC1 1690659158 LOQVESSCUTUICS-UHFFFAOYSA-N 489.584 2.320 30 10 JEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1690673838 GONKQQJMQLXQNX-CALCHBBNSA-N 487.630 2.239 30 10 JEEE C[C@H](C#N)CN(C)c1nnc(Cc2ccncc2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1691005592 CHZXEHCTHQZCKV-HOJAQTOUSA-N 451.554 2.206 30 10 JEEE CC(C)N1CCC(O)(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC[C@@](C)(C#N)C2)CC1 1692484289 BUBMAUNXMKHMGL-QHCPKHFHSA-N 466.590 2.291 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCN(C(C)=O)C1 1705495631 SICCSOSOAMLEHR-IHPCNDPISA-N 474.606 2.303 30 10 JEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2c(F)cccc2Cl)CC1 1705524370 KQKHXHLNPZMMLH-OAHLLOKOSA-N 496.996 2.057 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1705562836 LMMFOFRPPUALHS-PKOBYXMFSA-N 474.583 2.158 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H](C)N1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1705563586 AMTBXYIWHGXDRW-FPOVZHCZSA-N 456.616 2.087 30 10 JEEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](CC)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1705565883 KEDKXSMWVRMSCF-HOJAQTOUSA-N 455.584 2.050 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCc1c(F)cccc1F)[C@H]1CCS(=O)(=O)C1 1705567802 ZWBRYFCAFRAABJ-SJORKVTESA-N 464.538 2.320 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@@]1(C)CCCO1)[C@H]1CCS(=O)(=O)C1 1705567995 FFJWVLPQAZLSNH-HTAPYJJXSA-N 462.547 2.192 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(C#N)cc2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1705592585 MUYSMQYIIPZSRR-HSZRJFAPSA-N 457.582 2.222 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2Cc2ncccc2N(C)C)CC1 1705636177 AGGMOVVMVFNTKM-UHFFFAOYSA-N 461.570 2.227 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(C)c(OC)c1 1705674152 AVRBJXZAVGUNRA-XUZZJYLKSA-N 487.626 2.163 30 10 JEEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1705727104 GBJGANCNMTYVLS-SFHVURJKSA-N 485.658 2.415 30 10 JEEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(c2nccs2)CC1 1705731579 XLDXQCQZXHFNKQ-OAHLLOKOSA-N 454.622 2.322 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1cccc(Cn2cccn2)c1 1706878412 GBWHUKZJIDXSEV-JPYJTQIMSA-N 482.614 2.311 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1722303271 OCHUPSMKOSLBKQ-CJNGLKHVSA-N 475.347 2.066 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3OCC[C@H]3COC)n2Cc2c(C)nn(C)c2C)c1 1722305931 FKUDGMPELCTQKC-RDPSFJRHSA-N 491.596 2.457 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](CN2CCCC[C@H]2C)C1 1722332280 HPYFWTSFFGAWIS-VSKRKVRLSA-N 492.690 2.115 30 10 JEEE C#CCN(c1nnc(CC)n1Cc1ccc(I)cc1)[C@@H]1CCS(=O)(=O)C1 1722367125 LXVLSBPIZNSRCR-MRXNPFEDSA-N 484.363 2.120 30 10 JEEE C#CCN(CC#C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1Cc1cn(C2COC2)nn1 1722372872 FRTXCNZBUVHDPW-INIZCTEOSA-N 451.918 2.355 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(Cl)c2)n1CCS(=O)(=O)N1CCSCC1 1722406646 UGJAOHUYUJAPSQ-UHFFFAOYSA-N 454.021 2.437 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2CC2CCN(CCN(C)C)CC2)CC1 1722438926 HWINTAUKTRNUGY-UHFFFAOYSA-N 467.637 2.037 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CCc2ccc(OC)c(OC)c2)CC1 1722449504 UDHXYKRKILIPLS-UHFFFAOYSA-N 488.592 2.490 30 10 JEEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1722486707 BESSEJVMEFLRFR-CQSZACIVSA-N 480.392 2.015 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](CCOC)C1 1722588409 SBMLLTKNGIDHKR-ZWKOTPCHSA-N 455.625 2.076 30 10 JEEE C=CCN(C)c1nnc(-c2cn(C)c3ccccc23)n1CCNS(=O)(=O)Cc1ccon1 1722635793 AUSRZPDLPYQLQG-UHFFFAOYSA-N 455.544 2.167 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1722693926 FXBNOEOTYLQJSY-UHFFFAOYSA-N 454.453 2.044 30 10 JEEE C=CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1722743158 SHBRYPWUZMBUKQ-IBGZPJMESA-N 481.582 2.121 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)c(Br)c2)nnc1N(C)[C@@H](C)CC(N)=O 1722752143 WUKNVZXUZROLOW-AWEZNQCLSA-N 484.420 2.317 30 10 JEEE CC(C)[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1)NC(=O)OC(C)(C)C 1723121996 GOSRNFNKXIPVLP-QZTJIDSGSA-N 480.635 2.469 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)c1ccc2c(c1)OCCO2 1740671226 BJHHFJKFZCCKTF-QGZVFWFLSA-N 458.584 2.389 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1Cc1conc1COC 1740678823 JKJNVWNTBQURQC-UHFFFAOYSA-N 452.490 2.362 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1OCCC1(C)C 1740685259 DCWPQLSGIWMXSD-RBUKOAKNSA-N 477.606 2.488 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1740708863 DERYNYHMZGTJOT-OAHLLOKOSA-N 467.521 2.365 30 10 JEEE C=C(Cl)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1740822750 OMYBKYBJBUCBQR-LSDHHAIUSA-N 478.015 2.208 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CC(=O)N(C)[C@H](C)C1 1740957009 YHTZCOIJIWTIOA-QGZVFWFLSA-N 464.526 2.086 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCNC(=O)c2cccs2)C1 1740983144 BUWOOPGNULNPKC-GOSISDBHSA-N 455.588 2.413 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1740989676 UZABKTIBCADJTL-UHFFFAOYSA-N 485.589 2.418 30 10 JEEE CC(C)(C)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCCS2(=O)=O)CC1 1741205380 CBBWWLJHKSZSHP-UHFFFAOYSA-N 471.631 2.163 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1C[C@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1748638830 XDWKECWSFCTFIJ-VJANTYMQSA-N 495.584 2.408 30 10 JEEE C#CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(CC(C)C)C(=O)C1 1748711941 CTNSYZSCSBMDQM-UHFFFAOYSA-N 471.631 2.346 30 10 JEEE C#CCN(c1nnc([C@@H](C)OCCOC)n1Cc1ccc2c(c1)CCCO2)[C@@H]1CCS(=O)(=O)C1 1748805804 WKCFQSPWXJOKEQ-WIYYLYMNSA-N 488.610 2.002 30 10 JEEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1748830430 WCMHCRXMMLJYRE-NQIIRXRSSA-N 453.509 2.276 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1748857478 AKHMABWVNONUSW-SWYRRKHMSA-N 499.612 2.388 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1748863826 IGSRIDAUFNRJMU-QGZVFWFLSA-N 451.531 2.302 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1c[nH]c2c(CC)cccc12 1748930054 WQFYOELLRAHPRG-NRFANRHFSA-N 484.626 2.357 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)C)n2Cc2nnc3n2CCCCC3)n1 1748970391 BTWLTSBFKJYFPE-UHFFFAOYSA-N 451.579 2.250 30 10 JEEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CC(=O)N(C)C2CCCCC2)CC1 1748993653 HDNUSPQWGQVMTG-UHFFFAOYSA-N 455.632 2.180 30 10 JEEE C#CCSCCn1c(N2CCN(CCOC)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1749050163 XJBOJNQSCLDHGZ-KDURUIRLSA-N 478.663 2.184 30 10 JEEE C=CCC(C)(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCNC(=O)CC1 1749355346 FUWJWLDCBRENDE-UHFFFAOYSA-N 460.604 2.124 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N(C)C1CCC(NC(C)=O)CC1 1749653159 XEFGFUJYBFADHZ-UHFFFAOYSA-N 492.422 2.232 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CCC(=O)NC(C)C)C1 1749705079 GECGPFSPILHBLE-GOSISDBHSA-N 479.585 2.371 30 10 JEEE C=CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@H](NC(C)=O)C1 1749745621 BPUZAZIAYLBYTG-LJQANCHMSA-N 492.671 2.220 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H](c1ccc(F)cc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1760186348 BSZBUYITXUEPMC-HJNYFJLDSA-N 489.617 2.241 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCCNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1760188954 RRNBVOBQGBZLLD-MOPGFXCFSA-N 495.646 2.104 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1CC[C@](C)(O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1760189084 NHALHUMRGUFLPP-QPPBQGQZSA-N 465.579 2.265 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1c(C)nn(C)c1C 1760202307 ZHPPUKUFEAYIOF-UHFFFAOYSA-N 454.538 2.146 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(Br)cc2)n1Cc1cn(C2COC2)nn1 1760244893 KSNCTIUILACQGS-UHFFFAOYSA-N 472.347 2.005 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@]2(N(C)C)CCSC2)CC1 1760254842 MVVOGWDJRJLQKJ-OAQYLSRUSA-N 492.491 2.239 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2CC2CCN(C(C)=O)CC2)CC1 1760267583 RRDVMPAQCXSSAL-UHFFFAOYSA-N 478.597 2.178 30 10 JEEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1760280822 USSNBUUMZVNPLD-UHFFFAOYSA-N 498.531 2.267 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N1CCN(CC(F)(F)F)CC1 1760519497 GMGPRDZMDFYKAE-UHFFFAOYSA-N 459.476 2.480 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCSC[C@H]1C 1760521251 NOAGLYBSYWRVBQ-MRXNPFEDSA-N 467.599 2.480 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC(CC(=O)N(C)C)CC1 1760522757 DDXJUTJOLJZBJB-UHFFFAOYSA-N 476.585 2.128 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1760550736 HHPHLALRPZSLEW-YLJYHZDGSA-N 480.034 2.356 30 10 JEEE CC(C)(C)C(=O)NCCn1c(-c2cnccn2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1760712776 FNZQWNSUXMSVPH-UHFFFAOYSA-N 477.548 2.235 30 10 JEEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1-c1cnn(C)c1 1761362390 BVVPBZBJQBZDMH-AEFFLSMTSA-N 453.572 2.367 30 10 JEEE CN(C)[C@@]1(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC[C@@](C)(C#N)C2)CCSC1 1766900897 GAZNDXAHKWZFMJ-FCHUYYIVSA-N 454.604 2.493 30 10 JEEE COc1ccccc1-c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCCC(=O)N(C)C 1770407473 DBMSJBRVSQLZKG-UHFFFAOYSA-N 474.569 2.415 30 10 JEEE 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@]4(C)[C@H]3CC[C@@]21C 1848438858 OIUSIMZHVMRLJU-CPRAVMDSSA-N 478.582 2.186 30 10 JEEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1cccc([N+](=O)[O-])c1 1865723220 LBOPHYIHAPENMB-KRWDZBQOSA-N 485.541 2.164 30 10 JEEE CC[C@@](C)(NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1)C(=O)N1CCN(C(C)=O)CC1 1868794736 FRBVMXHCORCPEK-WMZHIEFXSA-N 459.616 2.000 30 10 JEEE C=CCn1cc(OCC(=O)Nc2ccc(OC)c(Cl)c2)c(=O)cc1CN1CCN(C)CC1 1870705140 FZPNVSHLMPQKAF-UHFFFAOYSA-N 460.962 2.461 30 10 JEEE CC(=O)NCc1nnc(SCc2nc(O)c3ccccc3n2)n1/N=C/c1ccc(O)c(O)c1 1874434504 IWZULANAQHUGSY-NUGSKGIGSA-N 465.495 2.149 30 10 JEEE COc1cc(OC)c(OC)cc1/C=N/n1c(CNC(C)=O)nnc1SCC(=O)OCC(C)C 1874434864 AZZKPKJTFXBJQF-NUGSKGIGSA-N 479.559 2.114 30 10 JEEE CC(C)N1C(=O)CS[C@H](C(=O)NCc2ccc(N3CCOCC3)nc2)[C@@H]1c1ccc(C#N)cc1 1892063873 YIHAGXIUIQCCEG-ZEQRLZLVSA-N 479.606 2.500 30 10 JEEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](NC(=O)OC(C)(C)C)CC[C@@H]1C(=O)O 2068508729 DUZXMMMMINUSGZ-BZUAXINKSA-N 453.536 2.262 30 10 JEEE CC(C)(C)OC(=O)NCC1(C(=O)NCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CC(O)C1 2188015413 LQNMNFOAPSQWKQ-UHFFFAOYSA-N 460.380 2.268 30 10 JEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CCOc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2241104039 FRMZZVARKIGZSC-QGZVFWFLSA-N 482.408 2.184 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC(NC(=O)OCc3ccccc3)C2)n1 2247912855 MQLBLKRCTOQRSV-UHFFFAOYSA-N 451.332 2.440 30 10 JEEE CN(CCN(C)C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)C(=O)OCc1ccccc1 2248056496 REHMZMAQVZDBNT-UHFFFAOYSA-N 454.336 2.116 30 10 JEEE CC1(C)OB(c2occc2C(=O)N[C@@H]2COCCN(C(=O)OCc3ccccc3)C2)OC1(C)C 2255702769 LDUTYRQDMZKUOL-SFHVURJKSA-N 470.331 2.346 30 10 JEEE CC1(C)OB(c2cc(S(=O)(=O)NCC(=O)NCc3ccccc3)ccc2Cl)OC1(C)C 2255795786 JJJCBKGLMCFZMQ-UHFFFAOYSA-N 464.780 2.234 30 10 JEEE Cc1nn(C)c(C(=O)N[C@@H]2CCN(C(=O)OCc3ccccc3)C2)c1B1OC(C)(C)C(C)(C)O1 2255824554 JXXDZSDMFBUQHG-GOSISDBHSA-N 468.363 2.169 30 10 JEEE C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)n1 2256621819 ZJBPWHFNERTYPH-RISCZKNCSA-N 455.748 2.247 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C1 2256736376 SVGTWRKIVXNFPQ-OLZOCXBDSA-N 453.370 2.453 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)[C@H](CO)C1 2266996425 OSHSQMGYLUDSNV-WMLDXEAASA-N 466.409 2.395 30 10 JEEE CC(C)C[C@@H](CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)NC(=O)OC(C)(C)C 2267181435 SFCGTQQELUFUMO-HNNXBMFYSA-N 450.389 2.389 30 10 JEEE CC(C)(C)OC(=O)N=S1(=O)CC2(CN(C(=O)c3ccoc3B3OC(C)(C)C(C)(C)O3)C2)C1 2267282844 HQWQIBHWSHHFID-UHFFFAOYSA-N 466.365 2.438 30 10 JEEE CN([C@H]1CC[C@@H]1OCc1ccccc1)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2267368782 NXBQOWLHZBIIEI-ROUUACIJSA-N 461.393 2.088 30 10 JEEE CN([C@H]1CC[C@@H]1OCc1ccccc1)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2267377799 IEWRYXJXLNKPSW-OALUTQOASA-N 461.393 2.088 30 10 JEEE COC[C@]1(NC(=O)c2occc2B2OC(C)(C)C(C)(C)O2)CCN(C(=O)OC(C)(C)C)C1 2267483679 WZDXXMXQZXHJRU-QFIPXVFZSA-N 450.341 2.335 30 10 JEEE Cc1cc(C(=O)N[C@@H]2COC[C@@H]2CNC(=O)OC(C)(C)C)oc1B1OC(C)(C)C(C)(C)O1 2267527897 NXSKLLPQOBAVSG-LSDHHAIUSA-N 450.341 2.157 30 10 JEEE CN(CCOCCNC(=O)OC(C)(C)C)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2267712432 WESQKCQHSQOBSJ-UHFFFAOYSA-N 490.453 2.209 30 10 JEEE C[C@@H](c1nscc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)CN(CCO)C(=O)OC(C)(C)C 2268643485 XUGUTTPSGBALBV-AWEZNQCLSA-N 469.413 2.191 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)O)N(c2nccc(B3OC(C)(C)C(C)(C)O3)c2F)C1 2280755972 ARAUXEAFZZQLAM-DZGCQCFKSA-N 465.331 2.467 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1[C@H]2C[C@@H](CN(c3cc(B4OC(C)(C)C(C)(C)O4)ccn3)C2)[C@@H]1CO 2280767810 IJTZCLUHJOPDSZ-ZTTFOMCMSA-N 459.396 2.339 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1COCCN(C(=O)c2ccc(F)c(B3OC(C)(C)C(C)(C)O3)c2)C1 2281758555 IKQMAUSGUROOJI-MRXNPFEDSA-N 464.343 2.491 30 10 JEEE CN1CCN(C(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)[C@H](CNC(=O)OC(C)(C)C)C1 2281937429 ZQTALNKESDUMFS-QGZVFWFLSA-N 459.396 2.267 30 10 JEEE Cn1nc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C23CCC3)cc1B1OC(C)(C)C(C)(C)O1 2281962934 GEJOFZUJSGQODT-MRXNPFEDSA-N 460.384 2.381 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C[C@@H]1C(F)(F)F 2281986118 ONLOMLRYFQWFFG-CYBMUJFWSA-N 474.289 2.333 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 2282005247 ORFHVEPVECRALD-BZUAXINKSA-N 460.384 2.013 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1CCC[C@H]1NC(=O)OC(C)(C)C 2282006551 WKBZYRLTKIFMIL-HZPDHXFCSA-N 462.400 2.451 30 10 JEEE C[C@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)C[C@H](C)N(C(=O)OC(C)(C)C)C1 2282044949 SQRYJKRTEKCPFF-HOTGVXAUSA-N 462.400 2.437 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N=[S@@](C)(=O)CC1CN(C(=O)OC(C)(C)C)C1 2282105847 QFTFRRVRSGLKDI-XIFFEERXSA-N 481.424 2.429 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1CO 2282107010 GETLQRNSCAJWIG-GOSISDBHSA-N 460.380 2.348 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CNC(=O)c3ncncc3B3OC(C)(C)C(C)(C)O3)C[C@@H]21 2282180124 QJLZQXDCRSCQQB-INMHGKMJSA-N 458.368 2.151 30 10 JEEE CN(CCOCCNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1)C(=O)OC(C)(C)C 2282328695 BHDQPLKYOICORZ-UHFFFAOYSA-N 484.424 2.148 30 10 JEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC[C@]1(C)CCOCc1ccccc1 2282413586 GUITVIYJNMTFPK-HSZRJFAPSA-N 475.420 2.479 30 10 JEEE C[C@@H]1C[C@H](NC(=O)C(F)(F)F)CCN1C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2282534622 VPXVHIUQORJVNK-DGCLKSJQSA-N 459.249 2.192 30 10 JEEE C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)CCN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282534961 JIHHUYBTJWPHCC-JKSUJKDBSA-N 462.400 2.485 30 10 JEEE Cn1cc(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 2282544040 RCPACQYDCUVLIP-OIISXLGYSA-N 460.384 2.237 30 10 JEEE Cn1cc(C(=O)N2C[C@@H]3CCC[C@@]3(NC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2282546148 YTSMPUQWYMBYPY-NPMXOYFQSA-N 460.384 2.239 30 10 JEEE Cc1nn(C)c(C(=O)NC[C@@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2282562101 XDABTCWGBVSTDZ-HOTGVXAUSA-N 462.400 2.451 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2C[C@](F)(CNC(=O)OC(C)(C)C)C2)n1 2282581127 CWCSFFQDEJAOMR-XLOAEROZSA-N 466.363 2.327 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@]2(COCCN2C(=O)[C@@H]2C[C@H]2B2OC(C)(C)C(C)(C)O2)C1 2282650525 NTWGTNXTGYXZSM-QZMQVMSPSA-N 466.384 2.334 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2O)c1 2282684525 RQHNXGJCMDCHGL-RTBURBONSA-N 460.380 2.394 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2CCCN(Cc3ccccc3)CCC2)n1 2282842049 RQXOPOBGOBWZJR-UHFFFAOYSA-N 474.436 2.006 30 10 JEEE C[C@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(O)cc1O)C1CN(C(=O)OC(C)(C)C)C1 2282969054 YEDRRYJUZUXRMK-ZDUSSCGKSA-N 462.352 2.382 30 10 JEEE CC1(C)OB(c2c(F)cccc2C(=O)NCCN(CC(=O)O)Cc2ccccc2)OC1(C)C 2284337132 KQGMXZUOLPOFBS-UHFFFAOYSA-N 456.323 2.442 30 10 JEEE CC(C)(C)OC(=O)N1CC(OCC(=O)NCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2285161234 BBIAXZYYXZRWKA-UHFFFAOYSA-N 464.343 2.377 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@H](C(=O)NCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2285185823 HVJCTQXLAQEFHH-SFHVURJKSA-N 464.343 2.377 30 10 JEEE Cc1nc(C(=O)N2CCOC3(CN(C(=O)OC(C)(C)C)C3)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2288586092 LYRDJKUJDJLXEU-UHFFFAOYSA-N 479.408 2.213 30 10 JEEE COC(=O)c1[nH]c(C)c(C(O)=C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(F)cc2)c1C 2296124719 QJLGWASVVJBBSL-OAQYLSRUSA-N 485.512 2.311 30 10 JEEE O=C(C=C1NCCc2cc3c(cc21)OCO3)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 2296260153 NUUOJQQMIBBTOO-UHFFFAOYSA-N 470.547 2.125 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC(F)(F)C[C@@H]2CNC(=O)OC(C)(C)C)n1 2296425636 XHERDQOXUBZOGX-CYBMUJFWSA-N 470.326 2.094 30 10 JEEE COC(=O)CSc1nnc(C(C)(C)C)n1N=Cc1ccc(OCCN2CCOCC2)c(OC)c1 2331399583 ABMYTLIVKVOHGJ-UHFFFAOYSA-N 491.614 2.443 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(CCNC(=O)OC(C)(C)C)C(C)C)n1C 2337326269 RLLHPPWDFWQDCX-UHFFFAOYSA-N 450.389 2.403 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](CN=c2cc(B3OC(C)(C)C(C)(C)O3)c(F)c[nH]2)C[C@@H]1O 2345739652 SYNXEDZZGGGPHQ-XYPHTWIQSA-N 451.348 2.018 30 10 JEEE C[C@H]1CCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)[C@H](CNC(=O)OC(C)(C)C)C1 2362357018 LCVNBCHEMGAQGH-HOTGVXAUSA-N 462.400 2.485 30 10 JEEE C=CCn1c(COC)nnc1SCC(=O)Nc1ccc(S(=O)(=O)N(CC)CC)cc1 20426146 JRNMGDCDRBJTPX-UHFFFAOYSA-N 453.590 2.372 30 10 JEEE COc1ccc(F)cc1/C(O)=C1/C(=O)C(=O)N(CCCN2CCOCC2)[C@H]1c1cccnc1 102750991 ZCZZNXYFPUZARS-AGGMBTAESA-N 455.486 2.373 30 10 JEEE COC(=O)c1ccc([C@H]2/C(=C(/O)c3c(C)[nH]c(C(=O)OC)c3C)C(=O)C(=O)N2CCN(C)C)cc1 103096408 QZFZLOLVDNWJHK-HUZQBFDWSA-N 483.521 2.188 30 10 JEEE COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1[C@H](C)c1cccs1 522627937 GDHLSYHHTSTEKE-JKSUJKDBSA-N 453.589 2.235 30 10 JEEE O=C(C#CCNC(=O)OCC1c2ccccc2-c2ccccc21)NCCn1cnc(C(=O)O)c1 757470322 GAARHAMTXPNYII-UHFFFAOYSA-N 458.474 2.240 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H](C)c2cccc(NS(C)(=O)=O)c2)ccc1F 915611847 YDVMZGQCEHJUNJ-CYBMUJFWSA-N 455.533 2.153 30 10 JEEE COc1cccc(C=NNc2nc(SCC(=O)NC3CC(C)(C)NC(C)(C)C3)n[nH]2)c1O 1084057138 YIDDGAHTCWUBLU-UHFFFAOYSA-N 461.592 2.482 30 10 JEEE COc1ccc(C=NNc2nc(SCC(=O)NCC(C)C)n[nH]2)cc1OCn1cccn1 1084175249 OJWMJIJAXQXWPF-UHFFFAOYSA-N 458.548 2.357 30 10 JEEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCN(Cc3cc(OC)cc(OC)c3)C2)cc1 1137328525 FISFLYUJKJMGRQ-IBGZPJMESA-N 459.568 2.172 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc(C)o3)n2C[C@H]2CC(=O)N(CCOC)C2)c1 1286308881 MNFQMEFACZYYIO-FQEVSTJZSA-N 490.564 2.398 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2C[C@H]2NC(=O)CC2(C)C)c1 1286311474 MQNBMZHEOBUQBY-OAQYLSRUSA-N 471.565 2.235 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccc(OCC(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 1286383805 ZLZJYQMHHBYASH-HXUWFJFHSA-N 487.626 2.126 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CC[C@@](C)(O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1286394895 XRRMDLKBOKEDNJ-WIOPSUGQSA-N 479.606 2.188 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1cccc(C(N)=O)c1 1286408217 AMEZNHFXUCHNQJ-NRFANRHFSA-N 492.580 2.001 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCCCCSC)CC1 1286474180 DKNFOWYVMALSMW-UHFFFAOYSA-N 451.604 2.209 30 10 JEEE C=C(Br)Cn1c(N2CCC[C@@H](NC(C)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1286547513 HKHBZLRVXYIUSW-VQIMIIECSA-N 456.385 2.332 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1286548943 VJUGJMIOVSEMSK-MXNKGDRCSA-N 474.650 2.335 30 10 JEEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 1286611424 KCFZQPWZTMAHLA-ICSRJNTNSA-N 467.636 2.206 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CCCOC2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1286628547 IGEXZMKZXWRASW-DBVUQKKJSA-N 451.015 2.304 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](c2ccccc2)O[C@H](C)C1 1286814102 JXIXXOIUYYWNHC-UYAOXDASSA-N 473.599 2.081 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)C1[C@H]2CCC[C@H]12 1286815181 NXMKBMNIAHAYPJ-OALUTQOASA-N 493.655 2.031 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@@H](COC)C1 1286820240 HVPBUVVGNVCOAP-GOSISDBHSA-N 497.662 2.466 30 10 JEEE C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H](O)c2cc(Cl)c3c(c2)OCCO3)c1 1294705751 WZUIGTNWRMOFDX-QGZVFWFLSA-N 452.916 2.039 30 10 JEEE COc1ccc(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@H]2CCCS(=O)(=O)C2)cc1 1300280592 GGFYFYVABHFKEQ-HRAATJIYSA-N 463.535 2.132 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H]1CC(=O)N(CCOC)C1 1300327680 DUIGOMWAWVGHLT-QYZOEREBSA-N 474.606 2.303 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CCc1nc(C)c(C)s1)[C@@H]1CCS(=O)(=O)C1 1300479582 PRZRZVXOJISXBO-GOSISDBHSA-N 492.671 2.139 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1CCOc1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 1300495712 JRJVKTUQGZWHIH-WMZOPIPTSA-N 464.975 2.141 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)c1cccc(C)c1 1300578529 LTZBFDNMXGFOAS-IFMALSPDSA-N 469.611 2.186 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC(C)(C)C(=O)NCC)CC1 1300681775 AKYVEWYHQXSYSF-SFHVURJKSA-N 456.566 2.475 30 10 JEEE C#CCN1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCCOCC(C)C)CC1 1300700051 KZORAKGZQJWTHE-UHFFFAOYSA-N 466.634 2.270 30 10 JEEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2CCCN2CCCCC2=O)CC1 1300705595 ASKTYGJYBXNHQT-UHFFFAOYSA-N 450.587 2.057 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@](C)(O)C2CC2)CC1 1300712954 ZCMGFNQOCWVINM-SANMLTNESA-N 478.597 2.274 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2CCCc2nc(C)no2)CC1 1300731632 QUSHDVQOFIZXML-UHFFFAOYSA-N 477.569 2.456 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](CC(C)C)NC(=O)OCC 1300780280 OSNHAVXTFUSCHU-CSODHUTKSA-N 468.624 2.041 30 10 JEEE C=C(Br)Cn1c(-c2ccc[nH]2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1300839445 HFSHHYCKCFZPER-UHFFFAOYSA-N 498.432 2.458 30 10 JEEE C=C(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(S(=O)(=O)N(CCC)CCC)CC1 1300950763 OKLRKVUZBCHQSR-LJQANCHMSA-N 454.641 2.237 30 10 JEEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(CC(C)C)C(=O)C1 1301207501 XAOOSOAJASLVMT-UHFFFAOYSA-N 474.631 2.466 30 10 JEEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2c(Cl)cccc2C1 1301258126 LXJZWRPEEMNJDM-FQEVSTJZSA-N 496.033 2.420 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1301586641 HRRREBSTNJZPTA-IRLDBZIGSA-N 491.633 2.156 30 10 JEEE C[C@H]1CCCN([C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(CC(=O)N(C)C)CC2)C1 1305022688 COCOIHQGRKUUCG-LEWJYISDSA-N 478.645 2.147 30 10 JEEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(C(C)(C)C)n1CCC(=O)NC(C)(C)C 1305120315 DEXKTYPAWHSBJY-INIZCTEOSA-N 453.595 2.257 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@]1(N2CCOCC2)CCSC1 1358877523 GHSWUIWQPHYDGF-JPYJTQIMSA-N 489.667 2.014 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)c(Br)c2)n1CC1(O)CC1)[C@@H]1CCS(=O)(=O)C1 1358958951 YVFGFHIEMNUTKH-MRXNPFEDSA-N 479.400 2.168 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1CCCOC1)[C@H]1CCS(=O)(=O)C1 1358959436 IUPCZWBELUIYHA-HKUYNNGSSA-N 474.583 2.016 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCN(C)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1358961887 GSRLWZMVCYMQPC-YADHBBJMSA-N 471.627 2.278 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCCC(=O)NC1CC1 1358976884 VMTCYFSPDRPJJN-UHFFFAOYSA-N 471.565 2.368 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(N2CCCCC2)nc1 1359018043 BBQVVTMFQYECJE-UHFFFAOYSA-N 474.569 2.445 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCNC(=O)OC(C)(C)C)CC1 1359028351 PDEFWUCEWJTQBS-UHFFFAOYSA-N 481.601 2.427 30 10 JEEE C#CCSCCn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1359050546 ULKSBCSHWCJISF-DZGCQCFKSA-N 463.405 2.127 30 10 JEEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1359050860 FKPYERFMMAPTRA-OAQYLSRUSA-N 485.610 2.156 30 10 JEEE C=C(Cl)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1359154146 FTKBTHALLOFNSY-LJQANCHMSA-N 481.066 2.265 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1359188709 SVADRFNNTDDGKQ-PMACEKPBSA-N 481.663 2.405 30 10 JEEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)c2ccc(C)cc2)CC1 1359221825 OOJUDUMLPVTZPB-UHFFFAOYSA-N 466.586 2.378 30 10 JEEE C=CCCOCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCO[C@H](C#N)C1 1359225693 IBLCCRIKMVEINI-GOSISDBHSA-N 463.542 2.386 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CC(F)(F)CO2)C1 1359324589 NQDZVTDDSGUUPL-LSDHHAIUSA-N 453.515 2.475 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)N3CCO[C@@H](c4ccc(S(C)(=O)=O)cc4)C3)cc2C1=O 1454010597 CNUVDOHFSFKPTG-HXUWFJFHSA-N 454.504 2.086 30 10 JEEE CC(C)(C)OC(=O)N[C@H](Cc1ccccn1)C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1465696419 GJNKZCOMNQNVGR-ZWKOTPCHSA-N 459.547 2.489 30 10 JEEE CCOC(=O)Nc1ccc(NC(=O)N(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)cc1C#N 1465970229 HXIGZQKYIBFUDF-IRXDYDNUSA-N 450.517 2.327 30 10 JEEE N#CCC1CCN(c2nnc(-c3ccccc3F)n2CCNS(=O)(=O)Cc2ccon2)CC1 1505323070 CCNKZZOPSNJJAZ-UHFFFAOYSA-N 473.534 2.322 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(Cc2csc(C)n2)n1CC1(N2CCOCC2)CC(OCC)C1 1507536820 GXISVAPNFKPYOG-WMAFBANVSA-N 458.632 2.362 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H](C)N(C)C1CC1)[C@@H]1CCS(=O)(=O)C1 1507625157 HJWJQWGMJGVFNT-YLJYHZDGSA-N 487.626 2.072 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@](C)(O)CCC(C)C)[C@H]1CCS(=O)(=O)C1 1507634017 HXSUBGQKFLQDFY-SIKLNZKXSA-N 479.672 2.448 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCN(C)[C@H]1c1cccs1 1507660198 OCSZWROGGRGEBA-QKNQBKEWSA-N 488.683 2.496 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1507783413 CPMYZZUWZHFKLK-QJPTWQEYSA-N 473.315 2.245 30 10 JEEE C=CCCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 1507945365 GHBWAOQJCFTFKV-UHFFFAOYSA-N 454.623 2.462 30 10 JEEE C=CCCOCCn1c(-c2ccc[nH]2)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1507960629 QBXSFEKPGGYYIB-NHCUHLMSSA-N 469.634 2.492 30 10 JEEE C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C(F)(F)F)c1 1509949099 CAOHDWHLLKZNTL-RHSMWYFYSA-N 486.520 2.416 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCCn1cnc2ccccc21 1513406441 BIRMQJKHIWMMOZ-GOSISDBHSA-N 450.547 2.365 30 10 JEEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H](CC)NC(=O)OC(C)(C)C 1539162530 UJBDDKGXHYFIDY-QGZVFWFLSA-N 451.535 2.294 30 10 JEEE C#CCN(c1nnc([C@H](C)OCCOC)n1CC1(C)Cc2ccccc2C1)[C@@H]1CCS(=O)(=O)C1 1539204711 CHPKPEOTZSCJEW-SIKLNZKXSA-N 486.638 2.434 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCN1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1539213347 YDOKUQDZSVUNBM-LJQANCHMSA-N 477.034 2.352 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCSCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1539223256 ZYSPOYVZVWSSHR-GJZGRUSLSA-N 466.551 2.442 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CCSC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1539225840 QLOACHUXICTMGC-OAHLLOKOSA-N 459.519 2.144 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1CC(O)(CC)CC)[C@H]1CCS(=O)(=O)C1 1539230751 QCCYADCAAJLRAG-IBGZPJMESA-N 460.600 2.343 30 10 JEEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1Cc1cc(C)no1)[C@H]1CCS(=O)(=O)C1 1539231019 SEFAZMCQDRCKEM-KRWDZBQOSA-N 475.958 2.482 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCNC(=O)c1ccco1 1539361738 CRVXQEVPIRWTIM-UHFFFAOYSA-N 459.510 2.157 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)CN1CCCC1 1539416356 MNBHLYZNWOILOW-SFTDATJTSA-N 490.649 2.404 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2Cc2ccc(F)c(F)c2)CC1 1539468996 LSJMZMSIIJOJMV-INIZCTEOSA-N 461.513 2.294 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1539630144 YYQIDNQEYOVMFD-MJGOQNOKSA-N 454.579 2.346 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N1CCC(C(=O)NCCOC)CC1 1539636461 KPAKPNPYQFJDIS-NZQKXSOJSA-N 468.602 2.224 30 10 JEEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1539714360 CZUSWOZCKZBOHA-KRWDZBQOSA-N 457.604 2.428 30 10 JEEE C=C(C)COCCn1c(C)nnc1N1C[C@H](NC(=O)OC(C)(C)C)C2(CCS(=O)(=O)CC2)C1 1539728744 DASVSJLHDYFKDL-SFHVURJKSA-N 483.635 2.088 30 10 JEEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@]2(CCc3ccccc32)C1 1539731030 WDUCEDNPHCCALX-JPYJTQIMSA-N 475.615 2.159 30 10 JEEE C=CC[C@H](Cn1c(N2CCO[C@@H](C(=O)NC)C2)nnc1[C@@]1(OCC)CCOC1)c1ccccc1 1539947339 IYMDBATUDPGRIJ-DNRQZRRGSA-N 469.586 2.241 30 10 JEEE C=CCN(c1nnc(-c2cccc(OC(F)F)c2)n1C[C@]1(O)CCS(=O)(=O)C1)C1CC1 1540099142 RQECUFOLOFECDS-HXUWFJFHSA-N 454.499 2.251 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1540865110 VWXICFLQNRMNNU-KRWDZBQOSA-N 474.512 2.440 30 10 JEEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1540869915 AOBNZNAFJZSLMK-IBGZPJMESA-N 498.632 2.422 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(Cc2csc(CC)n2)CC1 1540902842 RUQZZZRHIIOWCX-LJQANCHMSA-N 494.687 2.462 30 10 JEEE C[C@H]1OCC[C@@]1(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1545145163 CGKFOLXEZXZPNU-MZNJEOGPSA-N 452.559 2.051 30 10 JEEE CCS(=O)(=O)N(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2OCCC[C@H]2C1 1548326153 DOTWVPXLASHLEM-LEWJYISDSA-N 472.615 2.494 30 10 JEEE CN(C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCSC2)CC1)S(C)(=O)=O 1554124946 HOHRSGBALFQKOU-GOSISDBHSA-N 490.655 2.342 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(C(=O)NCC)CCC1 1587639461 LWUAJBRUEUTAKL-QZTJIDSGSA-N 474.606 2.351 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1CCCc1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 1588059260 KXVOUGDBHKTJOU-FQEVSTJZSA-N 470.574 2.001 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@]1(O)CCSC1 1588134283 VZFOCJHUHHILGP-JPYJTQIMSA-N 459.616 2.333 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCN(C2CC2)C1 1588646418 JTGUSZBMICBEGO-PZJWPPBQSA-N 488.633 2.157 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CCOc2ncccc2F)CC1 1588762505 ITQQFWCQMOPLQL-UHFFFAOYSA-N 496.543 2.339 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CC(=O)NC(C)C)CC1 1588780579 SVIVGIKPRBEOST-UHFFFAOYSA-N 454.575 2.021 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2Cc2c(C)nn(C)c2C)CC1 1588907800 GJAGAQHJLHCJGU-UHFFFAOYSA-N 491.596 2.327 30 10 JEEE C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 1589700806 ABLPWUXNSWSKTM-HNNXBMFYSA-N 455.544 2.346 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CCN(C2CCOCC2)CC1 1595516745 IDYDIMFHRHUNRR-UHFFFAOYSA-N 489.418 2.311 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C(F)(F)F)C1 1595649210 MYRGMPPMAWLGLU-YOEHRIQHSA-N 489.520 2.269 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2c(CC)nn(C)c2OC)C1 1595745550 SIOOVWWCWGEFNF-GOSISDBHSA-N 454.579 2.274 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1595812384 RKOYJOVKDQZTDD-UHFFFAOYSA-N 492.671 2.258 30 10 JEEE N#C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)c2cncc(-n3ccnn3)c2)CC1 1633103452 DDNNYJWXRWJCRO-LJQANCHMSA-N 452.316 2.447 30 10 JEEE C#CCNS(=O)(=O)N1CCN(C(=O)NCC2(c3ccc(F)cc3Cl)CCCC2)CC1 1634525543 PANOOSGJJOBLTI-UHFFFAOYSA-N 456.971 2.086 30 10 JEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cn(CC(F)(F)F)c(=O)nc1O 1635136245 NXZTWKDJNVFQPD-LLVKDONJSA-N 454.833 2.163 30 10 JEEE C=C(C)C[C@H](NS(=O)(=O)c1cc(S(C)(=O)=O)ccc1Br)C(=O)OCC 1665797170 PDVGSZKWHLHOBA-ZDUSSCGKSA-N 454.364 2.029 30 10 JEEE C=CCNC(=O)c1ccc(NC(=O)NCCNS(=O)(=O)c2ccc(F)cc2Cl)cc1 1668210311 OTGWWJJFYAMWCZ-UHFFFAOYSA-N 454.911 2.495 30 10 JEEE COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CCN(C(=O)NCC(C)(C)CCC#N)CC1 1673339906 BZGIZRMIOMAOQW-UHFFFAOYSA-N 454.549 2.029 30 10 JEEE C#CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC(CC(N)=O)CC1 1689915180 SCNPWGXVTMARTM-UHFFFAOYSA-N 457.604 2.052 30 10 JEEE C#CCCCn1c(N2CCN(CC(=O)NC(C)C)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1689940789 CULZKGWWRYVYCW-BGYRXZFFSA-N 487.649 2.109 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@H](C)c1ncc(C)s1)[C@H]1CCS(=O)(=O)C1 1689986268 MBKVMDDSXIEKPU-RDJZCZTQSA-N 458.613 2.479 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1C(F)(F)F 1690103189 ARNPVIJFOPLDFF-MRXNPFEDSA-N 456.490 2.333 30 10 JEEE C=C(Br)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)[C@H]1CCOC1 1690221272 QOBJQZNABHUHLJ-HNNXBMFYSA-N 470.393 2.329 30 10 JEEE C=CC1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC1 1690414722 HWAAZVFWOYORRU-JOCHJYFZSA-N 468.650 2.485 30 10 JEEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)N1CCN(CC)CC1 1690527925 UTASNXWVSPNODR-UXHICEINSA-N 477.654 2.235 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1690676288 VNAIZZCMRFGDOT-UHFFFAOYSA-N 496.597 2.174 30 10 JEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CC[C@H](Cc2ccc(F)cc2)C1 1690729493 OBHMJZDIOWCBNU-LJQANCHMSA-N 475.590 2.209 30 10 JEEE C=CCSCCn1c(N2C[C@H](C)[C@@H](N3CCOCC3)C2)nnc1[C@]1(OCC)CCOC1 1690750576 NAJQNXBQDOZWGD-IPJJNNNSSA-N 451.637 2.006 30 10 JEEE C#CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CCCN(C)S(=O)(=O)CC 1705547825 RVVXGAZWTDYNNF-UHFFFAOYSA-N 484.420 2.457 30 10 JEEE C#CCN(c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCS(=O)(=O)CC)[C@@H]1CCS(=O)(=O)C1 1705562646 HEIFEFNOGRMGME-HXUWFJFHSA-N 492.667 2.304 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H](C)N(C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1705567413 XUJCOGQOLBIXCX-UYAOXDASSA-N 452.584 2.425 30 10 JEEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1CCCc1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 1705568473 OGHNIKIWMJTFAE-JOCHJYFZSA-N 496.637 2.467 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(Br)s2)n1CCN/C(O)=C1\N=CC=CC1=O 1705577593 LYODHPVCWGGXMJ-HTXNQAPBSA-N 485.367 2.368 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2CCO[C@H](C)C2)CC1 1705644877 DUKCJNCILUOTJH-FHAGJXEFSA-N 473.618 2.100 30 10 JEEE C#CCSCCn1c(COc2ccccc2F)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1705666071 NICOLGRMYKDURZ-FQEVSTJZSA-N 473.574 2.190 30 10 JEEE C=C(Br)Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)CCS(=O)(=O)CC 1705684846 FAAJHNCAKVJIRG-UHFFFAOYSA-N 481.376 2.373 30 10 JEEE C=C(Br)Cn1c(N2CCN([C@@H](C)c3nc(C)no3)CC2)nnc1[C@@]1(OCC)CCOC1 1705692332 GPDLEPDGVYJBNP-MGPUTAFESA-N 496.410 2.413 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(C(=O)NC)CC1 1705697435 VEVCFHFHZKCMSY-TZIWHRDSSA-N 487.626 2.292 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1705896274 HPEFNOGKVLZPPT-LBPRGKRZSA-N 488.433 2.085 30 10 JEEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCN(CC2CCOCC2)CC1 1705906359 BHTPXKQOOXSHCF-UHFFFAOYSA-N 468.602 2.016 30 10 JEEE C=CCSCCn1c([C@H]2CCOC2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1705945284 HBBDIHUHPIHOTP-SFHVURJKSA-N 459.620 2.081 30 10 JEEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1722320723 HRHRMGVSVMHSAT-UHFFFAOYSA-N 469.615 2.411 30 10 JEEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC2(CC1)COC(=O)N2 1722325221 GORDXTQWTWQMSQ-UHFFFAOYSA-N 455.515 2.463 30 10 JEEE C#CCCCn1c(COc2ccc(C)cc2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1722340309 UFUHPXWFICSIDU-JOCHJYFZSA-N 487.626 2.210 30 10 JEEE C#CCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1(N2CCOCC2)CC(OCC)C1 1722345290 DZJYFLZGQZUQDL-UHFFFAOYSA-N 454.531 2.193 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCC(C)(C)C1CC1)[C@@H]1CCS(=O)(=O)C1 1722370316 NDESCKVGVHTSFP-SXLOBPIMSA-N 464.632 2.455 30 10 JEEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@H](CC=C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1722371769 LKTPYNBTEBFQPO-FCHUYYIVSA-N 481.622 2.387 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 1722413942 SXUVLMCTINQGDR-QZTJIDSGSA-N 465.620 2.287 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CC[C@H](CO)O1 1722417230 ADLICVCWFMGECI-VQTJNVASSA-N 464.501 2.244 30 10 JEEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc([C@H](C)O)cc1 1722424980 HGAIOZRNASVQGD-SFHVURJKSA-N 482.610 2.426 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2cnn(CC(C)C)c2C)CC1 1722448898 CBNKAKGKXSEXIM-UHFFFAOYSA-N 491.644 2.315 30 10 JEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)c2ccc(O)cc2)CC1 1722458568 NIHWCOCHIRBVRT-LJQANCHMSA-N 453.568 2.401 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)Nc2ccccn2)n1Cc1ncn(C)n1 1722654524 PGBLLFHJTVCXDD-UHFFFAOYSA-N 454.498 2.166 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1)C(C)C 1722665635 NTTOYHBUVTWVAN-PWRODBHTSA-N 457.623 2.384 30 10 JEEE CC(C)C(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCOCC2)CC1 1723066509 GCNUUCVZLYSJGY-UHFFFAOYSA-N 465.602 2.280 30 10 JEEE CO[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2C#N)CC1)C(C)(C)C 1729879324 GMDNCHLJOUEJMB-AZUAARDMSA-N 451.575 2.489 30 10 JEEE CSCc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C#N)CC2)cc1 1731085132 BBJNYBIEWNYBOT-HXUWFJFHSA-N 490.655 2.262 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CSCCS1)[C@H]1CCS(=O)(=O)C1 1740621046 SQRJVACHXMKTQZ-HOTGVXAUSA-N 484.072 2.469 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1C[C@@H]1C[C@@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1740652567 FIRWNVVCNBOCOW-GIVPXCGWSA-N 479.585 2.166 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1([S@@](C)=O)CCC1 1740655553 CXRPZUBFFJSULW-GPWHBBDMSA-N 489.642 2.351 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(C)o1 1740760064 GLAMKZBQHJPNJR-RLLQIKCJSA-N 479.603 2.130 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCS(=O)(=O)C1 1740915025 RMMLCIKIWJTPCM-URXFXBBRSA-N 485.610 2.429 30 10 JEEE C=CCNC(=O)Cn1c(N(C)[C@@H]2CCCN(c3ccccc3)C2)nnc1[C@@]1(OCC)CCOC1 1740964336 BBBADDISZREUJA-PXDATVDWSA-N 468.602 2.338 30 10 JEEE CCN(CC)C(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)CCCO2)CC1 1746047714 CKAWOVIATWOZKW-SANMLTNESA-N 495.628 2.288 30 10 JEEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCSC2)C1 1746552179 DTWMMONQXBPUSW-QUCCMNQESA-N 490.655 2.390 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(CC)(CC)NC(=O)OC(C)(C)C 1748639432 HAMNPIQKYPRBIV-CVEARBPZSA-N 470.640 2.430 30 10 JEEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccccc1CN1CC[C@H](O)C1 1748771309 KBZHQMBYRIKDGA-DHLKQENFSA-N 453.587 2.003 30 10 JEEE COc1cccc(O[C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@](C)(C#N)C2)c1 1748964799 AIBVKJFZTOTPOD-HYFFOGBASA-N 476.603 2.494 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCCCN2CCCC)CC1 1748973075 WXBUGZAJZUGGSF-NRFANRHFSA-N 464.618 2.335 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCCCN2C[C@@H](C)C[C@H](C)C2)CC1 1748977930 FMVPPLKLWFZUKW-FXSPECFOSA-N 472.678 2.444 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2Cc2conc2COC)CC1 1749006661 WNHSSQZAHVIFFO-UHFFFAOYSA-N 494.552 2.111 30 10 JEEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1749083309 NKHMAHUKZQULBA-INIZCTEOSA-N 463.384 2.473 30 10 JEEE C=C(Br)Cn1c(-c2noc3c2COCC3)nnc1N1CCC(NC(C)=O)CC1 1749097706 HSYSNEKPYQRAJH-UHFFFAOYSA-N 451.325 2.019 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N(CCO)Cc1ccccc1OC 1749127132 JXTGPLPTOHKXSD-KNKQGSTJSA-N 455.559 2.218 30 10 JEEE C=CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1749406708 MLTRSWWNQPIEHQ-OAQYLSRUSA-N 471.650 2.280 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2CCCCS2(=O)=O)C1 1749695629 GCCQDHCXVVGBIE-QUCCMNQESA-N 494.639 2.097 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2cccc(Cl)c2)C1 1749732415 WJDKRAFZQWHTGM-QZTJIDSGSA-N 479.990 2.061 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 1749736615 MJIPDRYAXSAJRA-GOSISDBHSA-N 490.630 2.216 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1749740616 WUIQMOALTFVQMZ-GOSISDBHSA-N 494.017 2.312 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1Cc1coc(-c2ccccc2)n1 1751209671 HAJBOZNUNFHHEB-HNNXBMFYSA-N 455.544 2.332 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2CC[C@H]2COCCO2)c1 1760128065 WYQXINWADKZDTB-QFIPXVFZSA-N 460.538 2.126 30 10 JEEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1760155258 UQYMKMBYYXEZCL-MSOLQXFVSA-N 481.619 2.013 30 10 JEEE C#CCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1760155269 USPIAGZZAIAJEM-NRFANRHFSA-N 473.599 2.454 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CSCCS1)[C@@H]1CCS(=O)(=O)C1 1760182274 DULGOAAUOKUFPN-MOPGFXCFSA-N 473.649 2.292 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1CCC1(O)CCC1)[C@H]1CCS(=O)(=O)C1 1760192758 XXJYZMYADAYYFF-FQEVSTJZSA-N 472.611 2.406 30 10 JEEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cscc1C(F)(F)F 1760243009 UBNTYNYLBOTGPK-LBPRGKRZSA-N 465.523 2.103 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CCCC(=O)N(CC)CC)CC1 1760268961 SOMWYLMTQGJNPJ-UHFFFAOYSA-N 465.602 2.263 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCOc2ccccc2Cl)CC1 1760269397 HAZKIBFRAFOIPJ-SFHVURJKSA-N 457.962 2.480 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](OC)[C@@H](C)CC)CC1 1760270881 DNXQQYYCEWIBFC-UWJYYQICSA-N 455.607 2.167 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 1760315443 FOCHVSBKOBTOBC-SYNHAJSKSA-N 490.586 2.340 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1760320769 XRKXKOJMTWIZNY-JTAQYXEDSA-N 485.585 2.285 30 10 JEEE C=C(C)COCCn1c(N2CC[C@@](C)(N3CCOCC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1760361575 NJLUYTQRZQLAIJ-DNQXCXABSA-N 463.623 2.212 30 10 JEEE C=C(Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOCC)CC1)c1ccccc1 1760363720 UVCLMQWRQFDTCX-OAQYLSRUSA-N 459.616 2.052 30 10 JEEE C=C(Cl)Cn1c(CSc2ccccc2OC)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1760386716 HMBOWTLODQQJSK-UHFFFAOYSA-N 491.017 2.259 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1760515847 GVTKIXSAPMPNCD-IRXDYDNUSA-N 470.549 2.354 30 10 JEEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1760522686 ASQIFHQMKIEKID-GASCZTMLSA-N 481.573 2.268 30 10 JEEE CCN(CCn1c(C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1)C(=O)OC(C)(C)C 1765223285 CDIVVRVXTXIRQO-UHFFFAOYSA-N 457.583 2.084 30 10 JEEE CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@](C)(O)c2ccsc2)CC1 1765632786 AKPTUBBHEARKFW-XMMPIXPASA-N 479.610 2.044 30 10 JEEE CCOCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1767728896 FFNYDYFKPYOVAY-XLIONFOSSA-N 490.630 2.401 30 10 JEEE CC(C)(C)OC(=O)N(CCC(=O)N[C@@H](CO)C(=O)Nc1ccccc1C#N)Cc1ccncc1 1867085479 LWTSEJCEVZTBJX-FQEVSTJZSA-N 467.526 2.196 30 10 JEEE Cc1ccc([C@@H](C#N)NC(=O)[C@H](CO)NC(=O)c2ccccc2I)cc1 1867859980 CORDIAKGHFWYNZ-SJORKVTESA-N 463.275 2.071 30 10 JEEE COc1ccc(N2C[C@H](c3nnc(SCC(N)=O)n3/N=C/c3cccc(F)c3)CC2=O)cc1 1874199598 RZJLXIKLKXOMLJ-BJOYXVINSA-N 468.514 2.406 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](O)CN1C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C 2067370045 QHDUHORGZMZDED-BBWFWOEESA-N 454.568 2.450 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)NCCc2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2183290068 XZKQEGVUHHHXCU-DEOSSOPVSA-N 460.380 2.016 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](O)CN1C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2255869768 FQPJZPVHRMYZPM-KBPBESRZSA-N 452.382 2.147 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H]1CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2255947923 GGRBZPVPVPXYEV-MRXNPFEDSA-N 452.382 2.274 30 10 JEEE CC(C)(C)OC(=O)NC1CC(O)(C(=O)NCc2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2256730330 DIZXKFCYDDEENB-UHFFFAOYSA-N 452.382 2.082 30 10 JEEE CC(C)(C)OC(=O)N[C@@]1(CNS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)CCOC1 2267368849 PAEDZVWYNVIMAW-HXUWFJFHSA-N 488.437 2.009 30 10 JEEE CC(C)(C)OC(=O)N1CC(CO)(NC(=O)c2cc(Cl)ccc2B2OC(C)(C)C(C)(C)O2)C1 2267499505 UUSMRRHFJLZQGQ-UHFFFAOYSA-N 466.771 2.351 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)C1 2267539955 UYLVAOIJPJJUTA-AWEZNQCLSA-N 467.397 2.056 30 10 JEEE CC(C)(C)OC(=O)N1CCCC[C@@H]2[C@H](C(=O)N=c3nc(B4OC(C)(C)C(C)(C)O4)[nH]s3)[C@@H]21 2268720091 PRLJUAROXJDQMF-HZSPNIEDSA-N 464.397 2.233 30 10 JEEE C=C(CS(=O)(=O)N1CCC[C@@](O)(CN(C)C(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2270851564 MKVQSVJKPBXFCT-OAQYLSRUSA-N 474.429 2.198 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1COCCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1F 2281771502 YDQUPDGJJNQCEO-INIZCTEOSA-N 464.343 2.491 30 10 JEEE CC(C)(C)OC(=O)N1CC(N(C(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)[C@@H]2CCOC2)C1 2282029427 RUDAJHQAOPIICE-CQSZACIVSA-N 479.408 2.293 30 10 JEEE CC(C)[C@@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CCN1Cc1ccccc1 2282183143 CFTVVYFITGBTKW-IBGZPJMESA-N 453.396 2.097 30 10 JEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N(Cc1ccccc1)CC1CCOCC1 2282347818 CTRTYBCEIKUXPC-UHFFFAOYSA-N 475.420 2.337 30 10 JEEE COCC1(NC(=O)c2ccc(F)cc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2282396748 DXJZRTPCVAHSRT-UHFFFAOYSA-N 464.343 2.491 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@H]2CN(C(=O)C3(B4OC(C)(C)C(C)(C)O4)CCC3)CCN2C1=O 2282485208 OSMJVOSOVXDHSL-HOTGVXAUSA-N 463.384 2.339 30 10 JEEE CC(C)(C)OC(=O)N1CC2(C1)CN(S(=O)(=O)Cc1ccccc1B1OC(C)(C)C(C)(C)O1)C2 2282499779 SDJCXMUULBKDQC-UHFFFAOYSA-N 478.420 2.368 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)c3cscc3B3OC(C)(C)C(C)(C)O3)C[C@@H]2[C@H]1CO 2282521295 YKSPWOXAHSDBGV-RLFYNMQTSA-N 478.420 2.347 30 10 JEEE Cn1cc(C(=O)NC[C@@]23CC[C@H]2CN(Cc2ccccc2)C3)nc1B1OC(C)(C)C(C)(C)O1 2282543761 LSTSIDFOILZUTE-UQBPGWFLSA-N 450.392 2.361 30 10 JEEE Cn1cc(C(=O)N2C[C@@H]3[C@@H](CC[C@H]3NC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2282552003 NPPXXWJHJQQUQO-ARFHVFGLSA-N 460.384 2.095 30 10 JEEE Cn1ncc(C(=O)NC[C@H]2CCN(C(=O)OC(C)(C)C)C2(C)C)c1B1OC(C)(C)C(C)(C)O1 2282573052 UMZOEYUFAYJPPJ-OAHLLOKOSA-N 462.400 2.485 30 10 JEEE Cn1nc(C(=O)NC[C@@H]2C[C@@H]3[C@H]2CCN3C(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2282615771 RVXQVVRTZUTRIJ-YQQAZPJKSA-N 460.384 2.095 30 10 JEEE Cn1nc(C(=O)NC[C@H]2C[C@H]3CC[C@H]2N3C(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2282626547 CHJBHGQVJSJHGY-BFYDXBDKSA-N 460.384 2.237 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(C(=O)NCCC2(O)CN(C(=O)OC(C)(C)C)C2)c1 2282683369 CDYVGLSUTVEFEU-UHFFFAOYSA-N 460.380 2.396 30 10 JEEE CC1(C)OB(c2occc2C(=O)NC2(C(=O)O)CCN(Cc3ccccc3)CC2)OC1(C)C 2284486344 UXAUCMWUDHQJDE-UHFFFAOYSA-N 454.332 2.428 30 10 JEEE CC(C)(C)OC(=O)N1CC(O)(C(F)(F)CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2288541348 BPCUKHUBPBNCCB-UHFFFAOYSA-N 488.362 2.394 30 10 JEEE COc1cc(C=Nn2c(CNC(C)=O)nnc2SCC(=O)Nc2ccccc2F)ccc1O 2330718795 KCPCWHNGSRRCSK-UHFFFAOYSA-N 472.502 2.381 30 10 JEEE CCOc1c(C=Nn2c(CNC(C)=O)nnc2SCC(=O)NCc2ccco2)cccc1OC 2330748053 WWIDCARXYCCYLO-UHFFFAOYSA-N 486.554 2.205 30 10 JEEE Cn1cc(C(=O)N2C[C@H]3C[C@H](NC(=O)OC(C)(C)C)C[C@@H]2C3)nc1B1OC(C)(C)C(C)(C)O1 2359268287 FDLXYPMNYAYXMH-JYJNAYRXSA-N 460.384 2.237 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H]3C[C@H]3[C@@H]2CNC(=O)OC(C)(C)C)n1C 2362332419 NEPTXZGJNLNDPP-XHSDSOJGSA-N 460.384 2.013 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 2362350749 WABYEUILYODZOC-HSZRJFAPSA-N 460.384 2.192 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H](F)C[C@@H]2CNC(=O)OC(C)(C)C)n1C 2362489793 LQQGGIPTXIAEBG-LSDHHAIUSA-N 466.363 2.105 30 10 JEEE CCCCCCCCO[C@@H]1O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 72400236 RNGLREVZONTJLS-AHJNKEMKSA-N 460.520 2.447 30 10 JEEE CCCCCCCCCCOC(=O)C[C@@H]1C(=O)NCCN1C(=S)NC(=O)CCC(=O)OC 100227139 LRZPYSSLLFDDHF-QGZVFWFLSA-N 471.620 2.215 30 10 JEEE COC(=O)c1ccc([C@@H]2/C(=C(/O)c3c(C)nc4ccccn34)C(=O)C(=O)N2CCN(C)C)cc1 102485359 NZHQEDISHLGBSU-DQVIVYRFSA-N 462.506 2.413 30 10 JEEE N#Cc1c(NC(=O)C[S@@](=O)CC(=O)c2ccc3c(c2)NC(=O)CO3)sc2c1CCCC2 586345810 GMRZZTITWOWAGP-HKBQPEDESA-N 457.533 2.400 30 10 JEEE C[C@H]1Oc2ccc(C(=O)C[S@@](=O)CC(=O)Nc3sc4c(c3C#N)CCC4)cc2N(C)C1=O 586353208 VTRZSTFVRMFLIC-CGRYZCQKSA-N 471.560 2.422 30 10 JEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NC[C@@H](c2ccco2)N2CCCCC2)CC1 616172370 IGMASVAVIANXCX-FQEVSTJZSA-N 471.583 2.394 30 10 JEEE CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)/C(=C(/C)NC[C@H](O)COCc3ccco3)C(=O)[C@]12C 1075950131 HYEGVHBQCURZSO-OMBVLCHESA-N 497.500 2.329 30 10 JEEE COc1cccc(C(=O)CSc2nnc(NN=Cc3cc(OC)c(OC)c(OC)c3)n2N)c1 1084533138 IHYMNWIMJYESID-UHFFFAOYSA-N 472.527 2.447 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)NCCCc2cc(N)n(-c3ccccc3)n2)ccc1F 1136885933 PTHABAMJVCOFEO-UHFFFAOYSA-N 457.531 2.421 30 10 JEEE N#Cc1cn(CCC(=O)Nc2ccc(Cl)c(-c3nnc4n3CCCCC4)c2)c(=O)nc1O 1141383692 CGPGEVOXLBVGHB-UHFFFAOYSA-N 453.890 2.488 30 10 JEEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H](CO)Cc2ccccc2C(F)(F)F)c1 1150031498 ZCUFSOFMAIROBF-HNNXBMFYSA-N 454.470 2.198 30 10 JEEE C=CCOc1ccc(CNC(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)cc1 1220744490 DVEOMCCYKVTGML-UHFFFAOYSA-N 459.568 2.413 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC[S@@](=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1286383794 ODSWGLCOSFCEBE-ZUQCGGBESA-N 493.611 2.027 30 10 JEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1C[C@@]1(O)CCSC1)[C@H]1CCS(=O)(=O)C1 1286384501 RAUNMMPQNYVMIV-PXNSSMCTSA-N 467.016 2.093 30 10 JEEE C#CCN(c1nnc(CCCc2ccccc2)n1C[C@@H]1CCN(CC)C1)[C@H]1CCS(=O)(=O)C1 1286393545 QOPBWKLADIZXSX-PKTZIBPZSA-N 469.655 2.422 30 10 JEEE C#CCN1CCN(c2nnc(-c3sc(-c4ccccc4)nc3C)n2CC(=O)NCC=C)CC1 1286472114 DZDJFEVRIVIMLA-UHFFFAOYSA-N 461.595 2.434 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(C)nc4ccccc34)n2CC(=O)NCC(F)(F)F)CC1 1286473366 RKOLDVCERCHWLQ-UHFFFAOYSA-N 471.487 2.235 30 10 JEEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](CN2CCCCC2)C1 1286540793 DNSAZHYOCCVQKQ-SJORKVTESA-N 472.453 2.401 30 10 JEEE C=C(C)Cn1c(N2CCN(CC(=O)N3CCCCCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1286599441 VDACXAWGUSJGHU-RUZDIDTESA-N 474.650 2.419 30 10 JEEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(CC)Cc1nc(O)c2ccccc2n1 1286620114 GBTNHGKHWOVLIF-CYBMUJFWSA-N 465.967 2.316 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC[C@H](O)C1 1286746386 WRQHWTDQGZOXFO-FSSWDIPSSA-N 489.642 2.355 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CCO[C@H]1C 1286758519 PHQNIBMEGFXALN-IUKKYPGJSA-N 463.579 2.305 30 10 JEEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)CCc2ccc(OC)cc2)CC1 1286778788 JGWMQMVOUJBJCP-REWPJTCUSA-N 469.586 2.478 30 10 JEEE C=CCNC(=O)Cn1c(N2CC[C@H](c3ccccc3OC)C2)nnc1[C@]1(OCC)CCOC1 1286792839 JSNMLOQKMAHFTR-UUOWRZLLSA-N 455.559 2.235 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC2(S(C)(=O)=O)CCC2)C1 1286812457 LRTBQEMYDWGPDN-MRXNPFEDSA-N 479.628 2.018 30 10 JEEE C=CCSCCn1c(Cc2csc(C)n2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1286833954 VRJRDDNKGMHYHT-UHFFFAOYSA-N 484.655 2.374 30 10 JEEE CC(C)NS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H]1CCCc2c1cnn2C 1288268038 APQQYQUMTDSKBQ-FQEVSTJZSA-N 482.614 2.392 30 10 JEEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1300381859 WOENKDRQPOPRCT-LJQANCHMSA-N 497.987 2.042 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@@H](CC)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1300490115 ZRJVNQJLBUTHPZ-NHCUHLMSSA-N 471.627 2.455 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCOc1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 1300505740 HNKLVZOXGHAQJD-ONTIZHBOSA-N 488.610 2.016 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1cn2ccsc2n1 1300516417 OCEBWFBPDQNEEX-UHFFFAOYSA-N 450.549 2.179 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(N(C)C)CCC1 1300537212 BAVQTTDZPCFNAP-LJQANCHMSA-N 456.591 2.144 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H](Cc2ccccc2)OC)CC1 1300685419 NHGUCSQOLCDFNI-OZXSUGGESA-N 467.614 2.332 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H](C(C)C)N2CCCC2)CC1 1300708685 XVGHMQPSCONJGV-FQEVSTJZSA-N 469.659 2.145 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC=CCO2)CC1 1300730929 HFEUSEGZQJBDRC-QFIPXVFZSA-N 460.538 2.040 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](OCC(C)C)C1 1300885389 PFTYHTQBCJEFGI-WTGUMLROSA-N 452.621 2.413 30 10 JEEE C=C(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](COC)C1)c1ccccc1 1301008867 CFTTYWWBKJZOIC-FPOVZHCZSA-N 475.615 2.187 30 10 JEEE C=C1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCNS(=O)(=O)CC)CC1 1301085742 PVRMJJHVWBWSSR-UHFFFAOYSA-N 482.651 2.488 30 10 JEEE C=CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1301220839 FYWHWNUWRBWLLU-IBGZPJMESA-N 459.620 2.432 30 10 JEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)C[C@@H]1COc2ccccc2O1 1301223301 QZBLVBJWQLTKFM-WIYYLYMNSA-N 491.614 2.244 30 10 JEEE C=CCn1c(-c2ccc(C)o2)nnc1N1C[C@@H]2[C@H](C1)[C@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1301437943 BEZLVGLVAZAANY-BFYDXBDKSA-N 463.560 2.159 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCC(c2nc(C)no2)CC1 1301588187 CQKOOELIMZWYEX-QGZVFWFLSA-N 450.565 2.196 30 10 JEEE CC(=O)N1CCN(CCn2c(-c3ccc(C#N)cc3)nnc2N2C[C@H](C)S[C@@H](C)C2)CC1 1301763124 CSDOSHFALOWIOR-ROUUACIJSA-N 453.616 2.311 30 10 JEEE CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCCN1CCCCCC1=O 1314388650 AIUCWRWSTSXVQR-UHFFFAOYSA-N 466.590 2.201 30 10 JEEE C#CCN(C)c1nnc(CCOc2ccccc2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1358951586 CVXAFJOULUARCQ-TZIWHRDSSA-N 457.600 2.173 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCCOC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1358962523 RGDIQEMSPYEXMO-GJZGRUSLSA-N 450.483 2.073 30 10 JEEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1C[C@H](C)COC)[C@H]1CCS(=O)(=O)C1 1358965989 GDPKWWHOPKKHJU-ICSRJNTNSA-N 460.600 2.383 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1Cc1ccc(OCC(F)(F)F)nc1)[C@H]1CCS(=O)(=O)C1 1358966420 OSWIQDHRRCZVBB-KRWDZBQOSA-N 483.516 2.242 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1CCCc1nc(C)no1)[C@H]1CCS(=O)(=O)C1 1358967394 JPSAEXVWIIXJSU-FQEVSTJZSA-N 498.609 2.425 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(C)n(C)c2=O)n1 1359027361 GTIJFRNFOZJXCP-UHFFFAOYSA-N 496.575 2.355 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H](C(CC)CC)N2CCOCC2)CC1 1359047375 DPYKNYXZOQHCQT-XZOQPEGZSA-N 486.661 2.232 30 10 JEEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCN(c2nccc(OCC)n2)CC1 1359054091 JLRXLEXCRYLIAW-UHFFFAOYSA-N 450.572 2.222 30 10 JEEE C#CCSCCn1c(N2CCN(c3ccc(F)cn3)CC2)nnc1[C@@]1(OCC)CCOC1 1359062221 ZOJJLOTWAHMOQE-JOCHJYFZSA-N 460.579 2.157 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCN(c2cccnn2)CC1 1359090712 FNHQUFXAIWPGPP-ZVDOUQERSA-N 457.579 2.100 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@](O)(c2ccccc2F)C1 1359091822 SPUCXXJIASMHKV-TVLQYADYSA-N 493.605 2.107 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1359099832 TYOWTMCWTAQNGI-ZVDOUQERSA-N 451.637 2.462 30 10 JEEE C=C(C)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1359123405 HKFHHFDVBCDFPY-NRFANRHFSA-N 451.619 2.276 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1359272532 VZXGXCKKQRLKJP-QUCCMNQESA-N 472.615 2.027 30 10 JEEE C=CCSCCn1c(-c2cccnc2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1359340179 DUGCFWFWPYFOJM-IBGZPJMESA-N 455.632 2.392 30 10 JEEE CC(C)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCCS2(=O)=O)CC1=O 1360017016 ALHHDGCBVXVVHG-HXUWFJFHSA-N 470.599 2.089 30 10 JEEE C=CC[S@](=O)(=NC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1)c1ccccc1 1472275098 GZVRFMOFPFMJSL-LOCRZWSUSA-N 452.529 2.189 30 10 JEEE COCCN(C)CCCn1c([C@H]2CCOC2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1504849679 DUTODWGPNUFBDW-FQEVSTJZSA-N 471.581 2.088 30 10 JEEE N#C[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cc(Cl)ccc2OC(F)F)CCO1 1505321670 DHVVMJFESNAPKL-ZIAGYGMSSA-N 452.849 2.261 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1507519253 GLVGRWAUIIAXRH-GJZGRUSLSA-N 466.405 2.447 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1cc(C(CC)CC)no1)[C@@H]1CCS(=O)(=O)C1 1507632617 OJGOFYXWVCECOZ-QZTJIDSGSA-N 461.588 2.349 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CCC(=O)Nc2ccccc2)CC1 1507739230 BYCPSPGAKFSOHF-UHFFFAOYSA-N 471.565 2.259 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2Cc2ccc(C#N)o2)CC1 1507742305 GQPITRKEGTXIKB-UHFFFAOYSA-N 458.522 2.356 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H]2CCN(CC)C2)CC1 1507742734 OTEHVUKYBSPHFD-HXUWFJFHSA-N 452.578 2.316 30 10 JEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1508084147 IPSJDMCRDNOLPK-MRXNPFEDSA-N 459.620 2.067 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2CCCCN2CC)c1 1539042526 HIYDQLKTJHECIU-NHCUHLMSSA-N 463.586 2.160 30 10 JEEE C#CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1539118510 ACSOQFUEVFDQPS-PMACEKPBSA-N 489.642 2.433 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1CCc1cn2ccccc2n1)[C@@H]1CCS(=O)(=O)C1 1539219996 PBBOIIGFUMSAQX-LJQANCHMSA-N 454.600 2.384 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@H](C)c1nc(C)cs1)[C@H]1CCS(=O)(=O)C1 1539224472 HKQCHJDDKGKUHY-LPHOPBHVSA-N 470.624 2.459 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2Cc2ccc(NC(N)=O)cc2)CC1 1539434693 TUIJEGBCKQSACB-UHFFFAOYSA-N 497.401 2.340 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1539620075 JAFNNGZSDGUTSG-BVSLBCMMSA-N 455.559 2.276 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1539635090 FNBTWGRFXFOKSN-GHTZIAJQSA-N 463.579 2.071 30 10 JEEE C=CCC(C)(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN2C(=O)OC[C@H]2C1 1539906542 QEHOWHVWTDQHSV-GOSISDBHSA-N 488.614 2.439 30 10 JEEE C=CC[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H](C)C(=O)NC)c1ccccc1 1539940693 UTZDSNRVCRZVDU-RLLQIKCJSA-N 459.616 2.358 30 10 JEEE C=CCCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCOC2(CCCCCC2)C1 1540020526 KOMXRFMQKPHMPB-GOSISDBHSA-N 455.625 2.411 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1540865863 VBQPRKYXOPOGAS-YJYMSZOUSA-N 482.404 2.456 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCCN(C(=O)Cc2cccc(F)c2)CC1 1540867778 HLXUEDUJFIOSMA-UHFFFAOYSA-N 479.560 2.006 30 10 JEEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1540873982 QWBVQAFBERZCRA-UHFFFAOYSA-N 490.612 2.108 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Br)c2)nnc1N1CCC[C@H](C(=O)NC)C1 1540898223 DJZPQOXLIYDKNH-INIZCTEOSA-N 496.431 2.271 30 10 JEEE CC[C@@H](C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1545691393 AMUGWFFEUYNPQM-XLIONFOSSA-N 451.575 2.474 30 10 JEEE CCOc1ccc(O[C@@H](C)c2nnc(N3CCO[C@H](C#N)C3)n2CCCC(=O)N(C)C)cc1 1547978209 GREUPAOKMOWHPS-FXAWDEMLSA-N 456.547 2.414 30 10 JEEE COc1ccc(-c2nnc(N(C)[C@H](C)CC#N)n2C[C@]2(O)CCS(=O)(=O)C2)cc1Br 1554819936 CJFBZQFKELQSAN-BFUOFWGJSA-N 498.403 2.004 30 10 JEEE C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)N[C@@H]2COC[C@H]2O)ccc1Cl 1556632040 LROPYZXGAFUEKB-QZTJIDSGSA-N 454.907 2.350 30 10 JEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1587765530 HOJPQVJWTYZGIN-XMSQKQJNSA-N 467.636 2.056 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1C[C@H](F)CN1Cc1cccs1 1588074535 OCJTZJYGPATIAQ-OALUTQOASA-N 454.575 2.261 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2ccccc2F)n1CCN1CCN(C(C)=O)CC1 1588180073 ACRYZBHIBITYHI-FQEVSTJZSA-N 466.561 2.184 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CC[C@H](OC)C(F)(F)F)CC1 1588791009 KJUUXMNWZOAQFQ-SFHVURJKSA-N 451.449 2.396 30 10 JEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(N(CC)CC)nc2)CC1 1588865417 XCBRZCDRQFBSKR-UHFFFAOYSA-N 461.618 2.184 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@H]2CCC[C@H](O)C2)CC1 1588899596 SQMVMURLHHBJPV-NQIIRXRSSA-N 451.571 2.471 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CC(C)(C)N2C[C@H](C)O[C@H](C)C2)CC1 1588930012 KZPYZUKHZXCEQU-RZUBCFFCSA-N 486.661 2.026 30 10 JEEE C=C(C)COCCn1c(N2CCN(c3ncccn3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1593769474 NVYQKJZAPDFZAM-QHCPKHFHSA-N 457.579 2.028 30 10 JEEE C=CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC(CNS(C)(=O)=O)CC1 1594720197 FOKKIKLVMSZTLM-UHFFFAOYSA-N 499.641 2.407 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C)CC1 1595100850 VTHFKUBKQJPDNO-HXUWFJFHSA-N 470.599 2.475 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccnc(C(F)(F)F)c1 1595302590 BHJVCQVCNHIZLE-OAHLLOKOSA-N 459.494 2.281 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1595648250 AMVSCWACLYSGIO-GOSISDBHSA-N 482.566 2.162 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CC(=O)N(C)[C@@H](C)C1 1595773137 RHJGJDFUURRHSV-ZDUSSCGKSA-N 455.943 2.005 30 10 JEEE CCn1cccc(Cn2c(-c3nn(C)c(=O)c4ccccc34)nnc2N(C)[C@@H](C)CC#N)c1=O 1615728095 BEFDYGRTOZYNSE-INIZCTEOSA-N 458.526 2.160 30 10 JEEE C[C@H](CN1CCN(c2ccccn2)CC1)NS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 1621816012 FGBVMXMMPCKPBT-OAHLLOKOSA-N 453.490 2.461 30 10 JEEE C#CCN(CC(=O)OC(C)(C)C)[C@H](C)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 1643726090 VMVFWJGFCICTGG-CQSZACIVSA-N 457.980 2.194 30 10 JEEE COCC[S@@](=O)Cc1cccc(NC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1 1669153142 FFPJMVPHSFORIF-GFJKYASSSA-N 454.552 2.376 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1CCCN(C)CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1689989343 DPSFAVIEKWSDTJ-INIZCTEOSA-N 463.570 2.378 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCC[C@@H]1NC(=O)NC1=O 1690096417 SDXBWJHCBVHYEU-WBVHZDCISA-N 470.599 2.206 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H]1CCCN(C(C)=O)C1 1690098364 FYALYAVHDKZUJZ-IBGZPJMESA-N 453.543 2.061 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCCOC3)n2C[C@@H]2CCC[C@H](O)C2)n1 1690109558 WBGOMKYYCPPNKO-SJBKTWHCSA-N 456.591 2.206 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1C[C@H]1C 1690560548 WFWUOKITAODZJL-QMMLZNLJSA-N 470.599 2.331 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccn3)n2CC2(NC(=O)OC(C)(C)C)COC2)C1 1690707389 VHNALGFKQISXEH-LJQANCHMSA-N 470.574 2.339 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Br)s2)nnc1N1CCn2nc(C)nc2C1 1690717881 TXEFYVVAVNYZPW-UHFFFAOYSA-N 498.432 2.290 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1690719729 RVXGPXQSOQEILI-QGZVFWFLSA-N 473.020 2.213 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCc2ccc(OC)cc2)nnc1N1CCN2CCCC[C@H]2C1 1690726456 ANPQEMJPTRGDAJ-NRFANRHFSA-N 473.643 2.347 30 10 JEEE CC(C)OC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCN(C)C2)CC1 1692636255 CXXSNECGMIGRRN-XMMPIXPASA-N 454.575 2.189 30 10 JEEE CCOc1c(OC)cc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)[C@H](C)CC#N)cc1OC 1696096167 HKKBGHQSOKXVLY-WBVHZDCISA-N 477.587 2.383 30 10 JEEE COc1ccc(OCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@](C)(C#N)C2)cc1 1697494884 BLYIERIEINVDIL-HRAATJIYSA-N 462.576 2.106 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1ccc([C@H](C)O)cc1)[C@H]1CCS(=O)(=O)C1 1705566102 XRLNABHHJHKVTK-PXNSSMCTSA-N 451.552 2.068 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccnc2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1705703934 PPZXQEWIVASMTM-VQTJNVASSA-N 460.604 2.087 30 10 JEEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1705786958 BYAQTADAQOABLU-UHFFFAOYSA-N 451.575 2.474 30 10 JEEE C=CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1705887124 PIRKRLVJEZUIOA-GOSISDBHSA-N 474.993 2.238 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1705931458 PWLZORCBUSJQAX-QGZVFWFLSA-N 490.504 2.331 30 10 JEEE CC(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCOC(C)(C)C2)C1 1706034240 BBDKFAYMYCGHBC-NRFANRHFSA-N 465.602 2.280 30 10 JEEE Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCNC(=O)c2ccco2)cc1C 1707550468 BLUCFZOYAXKLSG-LJQANCHMSA-N 450.499 2.226 30 10 JEEE CCc1cnc(CN(C)c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCN(C)C2)s1 1708964870 CERSWWHRHULFEF-HSZRJFAPSA-N 467.599 2.451 30 10 JEEE COc1ccc(Br)c(-c2nnc(N3CCO[C@H](C#N)C3)n2CCNC(=O)C(C)C)c1 1711714949 DVEDIDRXZMDXOI-OAHLLOKOSA-N 477.363 2.217 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1c(F)cc(F)c(F)c1F)[C@@H]1CCS(=O)(=O)C1 1722371507 WXFFONRUYXMAGE-MLGOLLRUSA-N 472.464 2.361 30 10 JEEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1722404479 CAQOSPJTVCNWFW-RDGATRHJSA-N 453.587 2.005 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](CC=C)c1ccccc1 1722412590 BPLAKLNLOMERNS-RTWAWAEBSA-N 457.600 2.430 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCC[C@@H](O)C1 1722426343 HCNLYNMGJKKEAF-AQNXPRMDSA-N 477.606 2.224 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCN2CCOCC2(C)C)CC1 1722432509 YAHJHHVMPMMOLD-HXUWFJFHSA-N 470.593 2.423 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCCCCCO)CC1 1722447786 PGYQODIESOGNMD-QFIPXVFZSA-N 467.570 2.309 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1722484417 IABVCJHYFJIIKB-LSDHHAIUSA-N 485.408 2.239 30 10 JEEE C=C(Br)Cn1c(COc2ccccc2OC)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1722490506 ZYQPGKJVNYQMOR-HXUWFJFHSA-N 462.348 2.491 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1722494879 SUSBUIZNGVSYAX-CTNGQTDRSA-N 471.606 2.325 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C2CCOCC2)CC1 1722519696 OUPWNGHUDLDCKW-UHFFFAOYSA-N 474.631 2.073 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1722751164 QKZNIZSPYUMHNM-JOCHJYFZSA-N 478.640 2.123 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCc1cccs1 1723612135 HSEURMOKLOOHDV-UHFFFAOYSA-N 450.572 2.314 30 10 JEEE N#Cc1ccc(OCc2nnc(N3CCS(=O)(=O)CC3)n2C[C@@H]2CCC(F)(F)C2)cc1 1731184477 BLJFJKPDFHCQKC-MRXNPFEDSA-N 451.499 2.399 30 10 JEEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1740598791 DOUBBBCIXSMTGF-QZTJIDSGSA-N 458.994 2.430 30 10 JEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1C[C@]1(OC)CCOC1)[C@H]1CCS(=O)(=O)C1 1740620817 YFEPPQFVZJJNTE-GHTZIAJQSA-N 464.975 2.031 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1CC1(O)CCCC1)[C@H]1CCS(=O)(=O)C1 1740628867 VNEUVXBQMHWHJS-IBGZPJMESA-N 458.584 2.097 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2OCC[C@H]2C)CC1 1740703267 LVTPHEWYONIJFO-RDTXWAMCSA-N 475.391 2.427 30 10 JEEE C=C(Cl)Cn1c(N2CCN(CC(=O)Nc3cc(C)on3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1740817055 TVHWYBFTXDBGPQ-QFIPXVFZSA-N 493.996 2.128 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCS[C@@H](CC)C1 1740959770 DTPXFWIUMZEPRY-IRXDYDNUSA-N 480.635 2.221 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC2(S(C)(=O)=O)CC2)C1 1740978200 PRGCLNXVOIFLOS-KRWDZBQOSA-N 462.572 2.321 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1Cc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1748802729 RWHZWVMMHRCQDX-FQEVSTJZSA-N 457.600 2.180 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1SCCc2ccccc21 1748963148 ZFMUDZRQKCQOTK-ICSRJNTNSA-N 460.625 2.297 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2cccc(Cn3cccn3)c2)CC1 1749019163 NEWGNZCWIDRVQD-UHFFFAOYSA-N 461.570 2.074 30 10 JEEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](CC2CC2)C1 1749630039 NATHSGUKBCQIJX-KZNAEPCWSA-N 465.620 2.496 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@H](C2CC2)O[C@H](C)C1 1749656056 YZQAMXBJXYIJFE-FOIQADDNSA-N 471.558 2.277 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1749659235 ZGNZNZZGVOJXFO-LPHOPBHVSA-N 489.418 2.167 30 10 JEEE C=CCOc1ccccc1Cn1c(-c2noc3c2COCC3)nnc1N(C)CCC(=O)NC 1749689142 AATJIXVCQYUCMY-UHFFFAOYSA-N 452.515 2.191 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCOCCOC 1760116773 KAGXYEUODWRXCZ-QZTJIDSGSA-N 451.568 2.098 30 10 JEEE C#CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1760135325 RHRXFFYMRCLZTH-QGZVFWFLSA-N 468.583 2.009 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(CC)s1)[C@H]1CCS(=O)(=O)C1 1760191912 BFEITQKYHRAKLL-ZWOKBUDYSA-N 478.640 2.301 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2Cc2ccoc2)CC1 1760265343 YHWRSVHRJBRVPD-UHFFFAOYSA-N 480.956 2.469 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCCc2cnn(C)n2)CC1 1760265706 HREQVULTVFXKJG-SFHVURJKSA-N 494.575 2.284 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@]2(O)CCC[C@H]2C)CC1 1760266662 IAKBZMRQQAYFED-MZNJEOGPSA-N 466.542 2.370 30 10 JEEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1760285203 ZRHJDDFPHWXFPJ-MRXNPFEDSA-N 452.506 2.135 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1760313389 NMPCZLQTDYRQTI-FHJLPGHOSA-N 479.647 2.193 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1760322903 ZAONLJMDYAXCGH-IVDHNXQLSA-N 451.637 2.080 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1760323865 HMLSUPSATQCUGO-FXAWDEMLSA-N 455.625 2.046 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1760514956 PICSTNNBCSSUDQ-RBUKOAKNSA-N 452.559 2.312 30 10 JEEE CCc1ccccc1OCc1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@]1(O)CCS(=O)(=O)C1 1762663358 FCZSHARMUVTNFI-DHIUTWEWSA-N 473.599 2.099 30 10 JEEE CN(CC(=O)N1CCOCC1)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CC[C@@H](F)C1 1767008150 CYCBJUHRIIYREB-RBUKOAKNSA-N 456.522 2.162 30 10 JEEE CCOc1ccnc(N2CCN(c3nnc(-c4cccc(C#N)c4)n3CC(C)(C)C(=O)NC)CC2)n1 1767639703 FQRNVKAGDRXADV-UHFFFAOYSA-N 489.584 2.104 30 10 JEEE COC(=O)c1ccc(NC(=O)[C@@H](CO)NC(=O)C2CCN([C@@H](C#N)c3cccs3)CC2)c(C)c1 1866868541 UYSCOZXMNPOPNB-UXHICEINSA-N 484.578 2.236 30 10 JEEE N#Cc1nnn(-c2ccc(N3CCCCC3)cc2)c1NC(=O)CN1C(=O)c2ccccc2C1=O 1870144018 KQYBYFSZGVDIAV-UHFFFAOYSA-N 455.478 2.364 30 10 JEEE C=CCN=c1nc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)[nH]c(=Nc2cccc([N+](=O)[O-])c2)[nH]1 1871517881 HNKAOHDJSCFKAK-UHFFFAOYSA-N 490.524 2.016 30 10 JEEE C=CCn1c(C(=O)NC[C@H](c2ccc(O)cc2)N(C)C)cc2c(N3CCN(C)CC3)ncnc21 1873595208 SSCZYQAJZLBLBB-JOCHJYFZSA-N 463.586 2.107 30 10 JEEE C=CCn1c(C(=O)NCCOc2ccc(OC)cc2)cc2c(N3CCN(C)CC3)ncnc21 1873595475 FDRGEKLCSJSESU-UHFFFAOYSA-N 450.543 2.187 30 10 JEEE COCCN1CC(=O)C(c2nc(C)cs2)=C1NC(=O)[C@@H](C(C)C)N1C(=O)c2ccccc2C1=O 1873710593 LOEYWKGXTFHNEV-LJQANCHMSA-N 482.562 2.088 30 10 JEEE COc1cc(OC)c(OC)cc1/C=N/n1c(SCCCO)nnc1[C@H]1CC(=O)N(C(C)C)C1 1874340498 MXEJSFCXEZSIKG-PDYUXYPTSA-N 477.587 2.385 30 10 JEEE COc1cc(/C=N/n2c(Cc3ccc(F)cc3)nnc2SCC(N)=O)cc(OC)c1OC 1874377652 HEYYKQYALAMAKD-BHGWPJFGSA-N 459.503 2.493 30 10 JEEE CC(C)(C)OC(=O)N[C@@]1(C(=O)N2CCC[C@@H](B3OC(C)(C)C(C)(C)O3)C2)CCS(=O)(=O)C1 2124543152 NWIUSIZFLLDZEY-VFNWGFHPSA-N 472.413 2.153 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1CC(NC(=O)OCc2ccccc2)C1 2255634607 AJWYALYOUBUCDH-UHFFFAOYSA-N 468.363 2.215 30 10 JEEE Cc1cc(C(=O)N[C@@H]2COC[C@H]2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2255635638 JEDPJOBVTQYUAC-HUUCEWRRSA-N 452.382 2.378 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)CCO1 2255750713 OKZBJBGTNRGGLJ-CQSZACIVSA-N 474.410 2.267 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)sc1CN(C)C(=O)[C@H](O)CNC(=O)OC(C)(C)C 2256623873 HWJZRYQIANBUNQ-CQSZACIVSA-N 454.398 2.200 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@](O)(CCNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)C1 2267277557 QPRNCNSGVBZYDU-JOCHJYFZSA-N 450.341 2.071 30 10 JEEE CC(C)(C)OC(=O)NOCCCNS(=O)(=O)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2267467251 MJZHLCQYTBINTA-UHFFFAOYSA-N 470.397 2.252 30 10 JEEE CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1nc(C)sc1B1OC(C)(C)C(C)(C)O1 2267478198 VCQVPLNHAZNQNA-KGLIPLIRSA-N 467.397 2.115 30 10 JEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N(Cc1ccccc1)C[C@H]1CCCO1 2267713437 OKWSCCVMYDPLQN-GOSISDBHSA-N 461.393 2.089 30 10 JEEE Cc1cnc(C(=O)N2C[C@H](C)C[C@@H](NC(=O)C(F)(F)F)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2281956678 BCNLDBYJQRWMKR-ZIAGYGMSSA-N 455.286 2.218 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1 2281960951 GUPMOGHMBARMGU-NVXWUHKLSA-N 460.384 2.284 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)O)N(C(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C1 2282003213 YNVONFNKRXEORG-GXTWGEPZSA-N 481.380 2.025 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H]2CC[C@H]1N2C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2282024094 WGKUJDIRVDNPIV-USXIJHARSA-N 458.368 2.294 30 10 JEEE CC(C)(C)OC(=O)N1[C@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)C[C@@H]2OCC[C@@H]21 2282057918 NBBTVAJGDHOIAZ-BPUTZDHNSA-N 479.408 2.339 30 10 JEEE Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H](O)C[C@@H](NC(=O)OC(C)(C)C)C1 2282127949 DZDVHYMESPEZCQ-SJORKVTESA-N 460.380 2.394 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](O)CN1C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2282477532 RBGFOPTXDOZBGP-CVEARBPZSA-N 464.343 2.225 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N[C@H]2CC(C)(C)[C@@H]2OCc2ccccc2)n1 2282505792 JCXBTGMHBBABFW-RBUKOAKNSA-N 475.420 2.382 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H]2OCCN(C(=O)c3occc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2282536291 AITKWOZMFNCIQR-DLBZAZTESA-N 462.352 2.429 30 10 JEEE Cn1cc(C(=O)N[C@@]23CCC[C@@H]2N(C(=O)OC(C)(C)C)CC3)nc1B1OC(C)(C)C(C)(C)O1 2282548970 CVFYNFXHJABCEO-QMHKHESXSA-N 460.384 2.381 30 10 JEEE Cc1nn(C)c(C(=O)N2C[C@@H](NC(=O)OC(C)(C)C)C[C@@H](C)C2)c1B1OC(C)(C)C(C)(C)O1 2282558055 DRGSYQSFEHHVHP-ZBFHGGJFSA-N 462.400 2.403 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)[C@@H]2CCC[C@H]21 2282624925 ORDYQGBZWBXHQQ-YESZJQIVSA-N 458.368 2.294 30 10 JEEE CC(C)(C)OC(=O)N1CCNC(=O)CCN(C(=O)[C@H]2C[C@H](B3OC(C)(C)C(C)(C)O3)C2)CC1 2282629197 ZUELNXBJTWUHAZ-QAQDUYKDSA-N 465.400 2.444 30 10 JEEE Cc1ccc(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 2282670982 NVUFJCNIXGKXEK-RBUKOAKNSA-N 460.380 2.394 30 10 JEEE C[C@H]1C[C@@H](NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)nn2C)CCN1Cc1ccccc1 2282859203 JJPSTPDPXRCXHX-HKUYNNGSSA-N 474.436 2.051 30 10 JEEE CC(C)(C)OC(=O)N[C@]12C[C@@H]1CN(C(=O)c1cc(B3OC(C)(C)C(C)(C)O3)c(O)cc1O)C2 2282913872 WQEDIFHKHZSKRG-ZLOXQWCVSA-N 460.336 2.136 30 10 JEEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@H](COCc3ccccc3)C(=O)O)c(F)c2)OC1(C)C 2284405590 MVFQTENHNKAXBK-GOSISDBHSA-N 479.335 2.073 30 10 JEEE C[C@@H](OCc1ccccc1)[C@H](NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1)C(=O)O 2284414741 JLECRVIIYUOGKC-UZLBHIALSA-N 475.372 2.323 30 10 JEEE NC(=O)CSc1nnc([C@H]2CC(=O)N(Cc3ccccc3)C2)n1N=Cc1ccc(F)cc1 2325917199 OTZMOKGBERAZTG-KRWDZBQOSA-N 452.515 2.393 30 10 JEEE Cc1nc(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)s1 2359267035 LGHAWDJDTMPRNB-VVYDWRJNSA-N 479.408 2.305 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(=NC[C@@]2(F)COCCN(C(=O)OC(C)(C)C)C2)[nH]1 2362160835 YIVRTBRDVKCKHM-QHCPKHFHSA-N 465.375 2.499 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CCOC[C@@H]2OCc2ccccc2)n1C 2362439881 HZLHUXBWEJRYTR-OALUTQOASA-N 455.364 2.132 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H](C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)n1C 2362487017 LVDRDNOQKBUBPH-GDBMZVCRSA-N 462.400 2.403 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](CNC(=O)c2csc(B3OC(C)(C)C(C)(C)O3)c2)N2CC[C@H]1C2 2368741874 GJXPYGZISROWFJ-DLBZAZTESA-N 477.436 2.471 30 10 JEEE COC(=O)C1(NC(=O)OC(C)(C)C)CC(Oc2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)C1 2371914213 XTIQAHKOBIDUEF-UHFFFAOYSA-N 466.315 2.498 30 10 JEEE C=CCn1c(=O)c(=O)n(CC(=O)NCCCN2CCN(c3cccc(C)c3)[C@@H](C)C2)c2ccccc21 33268765 JRPJHHMDESENGC-QFIPXVFZSA-N 489.620 2.375 30 10 JEEE C=CCn1c(CCc2ccc(I)cc2)nnc1SCC(=O)NCCO 59810839 FTWQSIUXJPWOKM-UHFFFAOYSA-N 472.352 2.055 30 10 JEEE Cc1ccc(-c2noc(C(=O)N3CCOCC3)n2)cc1S(=O)(=O)Nc1cccc(C#N)c1 65319033 HPONJBKAIRLOFE-UHFFFAOYSA-N 453.480 2.190 30 10 JEEE CN(C)S(=O)(=O)N1CCC(c2nn(Cc3ccc(C#N)cc3)c(=O)n2-c2cccs2)CC1 108380813 RNZBBAMNTOSPCA-UHFFFAOYSA-N 472.596 2.001 30 10 JEEE Cc1nn(-c2ccccc2)c(N2CCOCC2)c1/C=N/Nc1nnc(SCCN2CCOCC2)[nH]1 253575203 UHUILZOVCYQOLE-JJIBRWJFSA-N 497.629 2.006 30 10 JEEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1csc(-c2cccc(Br)c2)n1 730811017 XVPOLCACKZRXRP-AWEZNQCLSA-N 475.411 2.384 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)OCC3=C(C(=O)OCC)[C@H](c4ccccc4)NC(=O)N3)cc2C1=O 757738119 JBQMICSXOUGLLL-NRFANRHFSA-N 489.484 2.497 30 10 JEEE C#CCNS(=O)(=O)c1ccc(C(=O)NC2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 915602806 LOFBXANSANVKRR-UHFFFAOYSA-N 466.485 2.411 30 10 JEEE COC(=O)C1=C(C)N=c2sc(=Cc3ccccc3OCC#N)c(=O)n2[C@@H]1c1ccc(O)c(OC)c1 1082832844 ZWMDUXIPRLDWIY-JOCHJYFZSA-N 491.525 2.025 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)C(=O)[C@@]12CN(C(=O)OC(C)(C)C)C[C@@H]1CS(=O)(=O)C2 1125487695 RUYPRSJFUQUBCA-AUSIDOKSSA-N 459.568 2.355 30 10 JEEE CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)Nc2cc(C#N)cc(C)n2)c1 1129377380 ICIKQSOZDFIMIW-UHFFFAOYSA-N 457.556 2.381 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCO[C@@H](C)c1ccccc1 1286294839 FUCGTKLYIRSAHC-ZJOUEHCJSA-N 475.615 2.237 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)Oc1ccc(Cl)cc1 1286420499 QEAMROBMCUKESC-IRXDYDNUSA-N 463.991 2.472 30 10 JEEE C#CCN1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@H]2CCCN2CCCO)CC1 1286484164 JPOBFYHBEGXNOQ-JOCHJYFZSA-N 468.671 2.481 30 10 JEEE C#CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@H](CCOC)C1 1286504710 VMYCRVSRQLGMSC-QGZVFWFLSA-N 462.645 2.467 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2OC)nnc1N1CCCN(S(C)(=O)=O)CC1 1286560663 HOKBMGSOEOZOQY-NQIIRXRSSA-N 475.615 2.407 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1286563450 CVXZWYSRAIOQAA-WIYYLYMNSA-N 454.579 2.036 30 10 JEEE C=CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1286705096 PUYONYDSLZVGAB-UDIDDNNKSA-N 474.650 2.347 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1286785735 RHPBSIZQUHUEBB-HXUWFJFHSA-N 451.531 2.050 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCN(Cc2cscn2)CC1 1286816152 IYHQFSBPEBADKJ-UHFFFAOYSA-N 488.639 2.333 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@](C)(OC)CC1 1286819715 TUGFHFFCZRJZTA-NRFANRHFSA-N 465.576 2.002 30 10 JEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1C[C@H](c2ccccc2)C[C@H]1C 1286824497 ZSDHNTFUWVVGFT-UYAOXDASSA-N 457.600 2.384 30 10 JEEE CC(C)(C)NC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1287047272 DPKXHDNKDHIZPV-NRFANRHFSA-N 495.628 2.192 30 10 JEEE CC(C)[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1287152562 DWHUKVFPLGRAIA-DENIHFKCSA-N 461.588 2.149 30 10 JEEE CC(=O)c1ccc(S(=O)(=O)NCc2ccc(C(=O)NC3(C#N)CCN(C)CC3)cc2)cc1 1292879924 DFBGHIMRFNBJOB-UHFFFAOYSA-N 454.552 2.085 30 10 JEEE CCN1CCN(C[C@@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N(C)C[C@@H]2CCN(C(C)=O)C2)CC1 1296183852 HFGFUSUEIYVTLF-QPPBQGQZSA-N 492.672 2.395 30 10 JEEE CCS(=O)(=O)N(C)CCCn1c(Cc2ccc(F)cc2)nnc1N1CC[C@@](F)(C#N)C1 1297738346 FNQKVSISLRAOPL-HXUWFJFHSA-N 452.531 2.122 30 10 JEEE CN1CCN(CCn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@](F)(C#N)C2)CC1(C)C 1298902679 FGXQKDIBKAYFSF-XMMPIXPASA-N 466.565 2.197 30 10 JEEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1CC1(N2CCCC2)CCOCC1 1298968692 AVHCOOOTNPDTRR-IBGZPJMESA-N 465.602 2.280 30 10 JEEE C#CCN(c1nnc(-c2cnn(-c3ccccc3)c2)n1CCCN(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1300491331 HBJWEMRZFHUFEO-QHCPKHFHSA-N 495.653 2.488 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1CC(=O)N(C)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1300495016 BKQZIPDLVONDFT-HXUWFJFHSA-N 471.627 2.152 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccn3)n2C[C@H]2CCCN(C(C)=O)C2)n1 1300681697 YZSOMWOVSUFOHF-NRFANRHFSA-N 476.585 2.081 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCN2CCC(C)CC2)CC1 1300691083 OFFHXIWAHMTZMM-UHFFFAOYSA-N 452.603 2.449 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CC2(S(C)(=O)=O)CC2)CC1 1300691227 QGJHOWIXFHHWTK-UHFFFAOYSA-N 487.626 2.073 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2C[C@@](C)(O)CCC)CC1 1300719181 QMRCKVDEXIZFRQ-DEOSSOPVSA-N 453.543 2.191 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCNC(=O)c1cc[nH]n1 1300779765 GDMDERHKNYHMIU-HSZRJFAPSA-N 480.960 2.007 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C(C)C)N2CCCC2)CC1 1301124200 HGHKTMZZFNLKFK-SFTDATJTSA-N 480.679 2.134 30 10 JEEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1301474241 WSXCSGXBQHJRJB-ROUUACIJSA-N 460.579 2.364 30 10 JEEE C=CCOc1ccc(Cn2c(-c3cccn3C)nnc2N2CC[C@@H](S(=O)(=O)NCC)C2)cc1 1301519194 RXBNYDKFHSOMNU-HXUWFJFHSA-N 470.599 2.415 30 10 JEEE C=CCNC(=O)Cn1c(N2CCN(Cc3cccc(Cl)c3)CC2)nnc1[C@]1(OCC)CCOC1 1301519593 PTXNOTNKVBYOAI-DEOSSOPVSA-N 489.020 2.208 30 10 JEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CC[C@H](c2ccccc2)[C@H]1C 1301587215 RYVVQYDGNKGVLS-QUCCMNQESA-N 457.600 2.384 30 10 JEEE C=CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](COC)C1 1301612108 VSEBWXZTYXHVNL-QZTJIDSGSA-N 483.635 2.357 30 10 JEEE C#CCCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1358924342 SYRALDDOHCVJAD-FQEVSTJZSA-N 455.559 2.496 30 10 JEEE C#CCN(C)c1nnc(-c2cc(F)ccc2Br)n1CCC(=O)N1CCOCC1 1358941289 DKPQTFBAERMJPF-UHFFFAOYSA-N 450.312 2.165 30 10 JEEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1CC1(O)CCC1)[C@H]1CCS(=O)(=O)C1 1358967849 ULRFVZHAGVRZAF-KRWDZBQOSA-N 464.975 2.052 30 10 JEEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1Cc1ccccc1OCCN(C)C 1358976831 SMPILKKCDNEHBE-UHFFFAOYSA-N 460.538 2.067 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1359031344 YQAGZFZNPFEEKX-GOSISDBHSA-N 488.434 2.060 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H](C(C)C)N2CCOCC2)CC1 1359032946 KBEKCWQUYYGGLZ-HSZRJFAPSA-N 482.629 2.074 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CC(=O)NC2CCCCC2)CC1 1359042855 WVCYHYSIZATAAU-UHFFFAOYSA-N 452.559 2.261 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2nc3c(s2)C[C@@H](C)CC3)CC1 1359047419 GMILOXDRKDOECR-INIZCTEOSA-N 456.616 2.410 30 10 JEEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1359060300 QRFHZGNDRJNDQC-JOCHJYFZSA-N 470.691 2.111 30 10 JEEE C=C(C)COCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(CC(=O)NC)CC1 1359131036 GHSHNEKALZHVSC-UHFFFAOYSA-N 489.646 2.183 30 10 JEEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1359210244 NLCKGRLKKRCKTE-HXUWFJFHSA-N 488.658 2.320 30 10 JEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC1=CCc2ccc(OC)cc21 1359240094 FXGNELBYATXZFB-OAQYLSRUSA-N 473.599 2.272 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCS(=O)(=O)C1 1359275039 IYBJPAIBGZLKAJ-RTWAWAEBSA-N 492.667 2.240 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1359304535 AIOJSVKCKHQPRT-LJQANCHMSA-N 489.020 2.361 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1359304820 KRRMVFZEHPDPKK-QFIPXVFZSA-N 481.645 2.072 30 10 JEEE CC(=O)N(C)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCSCC2)CC1 1359351311 GCRPRAYWLBCHHQ-UHFFFAOYSA-N 453.616 2.313 30 10 JEEE CC(C)C1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(CC#N)CC2)CC1 1359667560 BHTYPSFWEQNTQT-GOSISDBHSA-N 450.609 2.177 30 10 JEEE C=CCOc1cc(OC)ccc1C(=O)N1CCN(CCNC(=O)c2ccc(OC)cc2)CC1 1443620470 QLSCFSXKGIVQBL-UHFFFAOYSA-N 453.539 2.456 30 10 JEEE C#CCNC(=O)C1CCN(C(=O)c2cccc(S(=O)(=O)Nc3ccccc3OC)c2)CC1 1448344859 BDHZNCBZVKWIIE-UHFFFAOYSA-N 455.536 2.098 30 10 JEEE C#C[C@H](CC)NC(=O)c1ccc(S(=O)(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 1448960434 FZISRSVGGDEPDV-GOSISDBHSA-N 452.536 2.427 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)Nc3n[nH]cc3C(=O)NCc3ccc(OC)cc3)cc2C1=O 1454506450 YANKMZWASQURQC-UHFFFAOYSA-N 459.462 2.383 30 10 JEEE CCS(=O)(=O)N(C)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nnc(C)s2)CC1 1503261682 CQZNOMSSAQHMKP-UHFFFAOYSA-N 486.627 2.275 30 10 JEEE COc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2Cc2ncn(C)n2)cc1Br 1504184255 GVICOBATMOLHJP-GOSISDBHSA-N 461.299 2.335 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1Cc1cnccc1OC)[C@@H]1CCS(=O)(=O)C1 1507640062 OKONTWMMARQLRC-HXUWFJFHSA-N 481.578 2.244 30 10 JEEE C=C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCc2ccc(S(N)(=O)=O)cc2)CC1 1507887219 KXZJRQUQJZHHST-UHFFFAOYSA-N 455.588 2.186 30 10 JEEE CCc1ccc([C@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)N(C)C)cc1 1513622697 HCXCKMONLIBKQG-SXWKCWPCSA-N 474.606 2.487 30 10 JEEE CCOc1ccc(O[C@@H](C)c2nnc(N3CCO[C@@H](C#N)C3)n2CCCN2CCOC2=O)cc1 1516306606 DBAJXQBZWMIWCE-PXNSSMCTSA-N 470.530 2.388 30 10 JEEE CNC(=O)[C@@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1CC1CCN(C(=O)OC)CC1 1517465537 BFSBMPYGXKWJES-KRWDZBQOSA-N 483.573 2.025 30 10 JEEE CO[C@H]1COCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1518634388 ACLHKNSYYNOZDZ-YDLSIGKMSA-N 468.602 2.414 30 10 JEEE COCC(C)(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@](F)(C#N)C1 1518674623 GDDGLTXTPWADIV-NRFANRHFSA-N 464.567 2.310 30 10 JEEE COCCn1cc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(CCC(N)=O)CC2)cn1 1519182556 AKFXTAFYMAEFFM-UHFFFAOYSA-N 462.558 2.190 30 10 JEEE N#Cc1ccc(OCc2nnc(N3CCS(=O)(=O)CC3)n2Cc2nc(C(F)(F)F)cs2)cc1 1521109788 DMJIWNDTUKFWSF-UHFFFAOYSA-N 498.512 2.487 30 10 JEEE Cc1cc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)nn1-c1cccc(C#N)c1 1524636706 GMLBNLOPLIGRBO-UHFFFAOYSA-N 451.508 2.326 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CCCn1cc(Br)cn1 1538975965 GBKKGKLUWQRRES-DNVCBOLYSA-N 451.369 2.437 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCNC(=O)C1CCC1 1539011490 BYMUDMKKQCYUES-PKOBYXMFSA-N 474.606 2.351 30 10 JEEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1539079741 ZGWCOJMOEJHQTC-KRWDZBQOSA-N 463.629 2.477 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1cccnc1OCCC)[C@H]1CCS(=O)(=O)C1 1539222859 XOMDUHXPBZGZTQ-PMACEKPBSA-N 473.599 2.379 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccc(N(C)C)c(F)c2)CC1 1539430992 QKNMFKPNRMAXHF-RUZDIDTESA-N 470.593 2.327 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC2([S@](C)=O)CC2)CC1 1539481660 CNZJRVZWEHIYFM-YTTGMZPUSA-N 474.030 2.399 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(NC(=O)C(C)C)CC1 1539613140 VWOLLZOHAVNPCQ-AZUAARDMSA-N 458.607 2.236 30 10 JEEE C=CCNC(=O)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCC[C@@H](C(N)=O)C1 1540864063 NXKJTYHHKMZZDB-QGZVFWFLSA-N 465.583 2.381 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1540899924 FGTZSXBDBASWMV-SFHVURJKSA-N 476.599 2.329 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1540903037 XFCZGQJQXFYXIV-HXUWFJFHSA-N 491.614 2.293 30 10 JEEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccsc2)C1 1547785530 BSJLKHGWZCECRM-IBGZPJMESA-N 472.596 2.357 30 10 JEEE COc1cc(OC)cc(-c2nnc(N3CCN(c4cc(C#N)ccn4)CC3)n2CC(=O)NC(C)C)c1 1554795592 GBPVIHPKVSNXPF-UHFFFAOYSA-N 490.568 2.080 30 10 JEEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CC[C@](F)(C#N)C3)n2CCc2ccc(Cl)s2)C1 1555812335 DDTKDCBNBXQALA-KSSFIOAISA-N 488.998 2.011 30 10 JEEE 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)CCC(=O)O 1565537842 VWQWXZAWFPZJDA-LDPMVWJCSA-N 462.539 2.197 30 10 JEEE C#CCN(c1nnc(-c2cccc(Br)c2)n1CC[S@@](=O)CC)[C@H]1CCS(=O)(=O)C1 1588035151 PMCMKMQZMMGLKZ-HPGBDJQBSA-N 499.456 2.103 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H](CC(C)C)NC(=O)OCC)[C@H]1CCS(=O)(=O)C1 1588050189 PLJCTIOJCRDSMC-ROUUACIJSA-N 476.603 2.061 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](CC)N1CCc2ccccc2C1 1588646107 GTKWTZZXBSQTNJ-PKTZIBPZSA-N 485.654 2.103 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCSC1 1588647311 UMFIMMLQAYKAER-MSOLQXFVSA-N 465.620 2.426 30 10 JEEE C#CCN1CCN(c2nnc(C(C)C)n2C[C@@H]2C[C@@H]3COC[C@H]3N2C(=O)OC(C)(C)C)CC1 1588741373 BRLNPNMIVFERGG-HSALFYBXSA-N 458.607 2.181 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@H]2CCCCS2(=O)=O)CC1 1588752510 SXLWLMICOIWSNS-OALUTQOASA-N 475.590 2.280 30 10 JEEE C=C(Br)Cn1c(Cc2ccsc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1589434620 OHUIEIAUBVNVEC-UHFFFAOYSA-N 481.420 2.012 30 10 JEEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)Cc1ncnn1CC(F)F 1589484170 RQKAXMQPLNZLBG-WFASDCNBSA-N 476.326 2.404 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCN(CC)C(=O)OC(C)(C)C)CC1 1594096821 IXLZCYZTECVEJC-GOSISDBHSA-N 498.650 2.024 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCSC2(C)C)CC1 1594097298 QCGXFXAGMFSCGR-SJORKVTESA-N 455.650 2.299 30 10 JEEE C=CC[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2cnn(C)c2)C(=O)C1)c1ccccc1 1594535036 PVEIWWNGODGBDN-FQEVSTJZSA-N 476.585 2.363 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(C2CCOCC2)CC1 1595476777 NIYRRBKHUBKZLQ-QFIPXVFZSA-N 452.603 2.423 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1595501539 XGEBSLZSDCYZFG-WBVHZDCISA-N 487.402 2.281 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)Cc1c(C)nn(C)c1C 1595506571 FDZRUUHEBCGHRR-UHFFFAOYSA-N 453.547 2.251 30 10 JEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1595569921 RDENZJBUUUOYOV-IBGZPJMESA-N 486.621 2.135 30 10 JEEE CCC(O)(CC)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1613662449 FMHJMYYQCSBJRU-UHFFFAOYSA-N 469.565 2.403 30 10 JEEE CCN(CC)C(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCOC[C@@H]2C)CC1 1615336533 CLWNHRJUZZSROB-FQEVSTJZSA-N 480.617 2.121 30 10 JEEE COc1cc(C)cc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(CC#N)CC2)c1 1619066170 BZXGFFSKESMALS-OAQYLSRUSA-N 488.614 2.106 30 10 JEEE C=CCNS(=O)(=O)c1cccc(C(=O)N(CC(=O)OC)Cc2cc(Cl)ccc2O)c1 1632702238 XSXFNNOJFXTYLV-UHFFFAOYSA-N 452.916 2.325 30 10 JEEE C[C@H]1CN(CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)CCN1CC(C)(C)O 1642737669 DRKODEUCLQJMMV-RBUKOAKNSA-N 457.619 2.133 30 10 JEEE N#Cc1c(F)cccc1S(=O)(=O)NCCc1ccc(S(=O)(=O)N2CCCCC2)s1 1662410131 BJZNAXHSGLXCAI-UHFFFAOYSA-N 457.574 2.454 30 10 JEEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccccc1CN1CCOCC1 1689973506 FUJBPPPYHSBMGZ-UHFFFAOYSA-N 464.595 2.220 30 10 JEEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1ccc(-n2ccnc2C)nc1)[C@@H]1CCS(=O)(=O)C1 1689979958 JQBAJAJRJDPNBZ-FXAWDEMLSA-N 467.599 2.356 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@H]1CCCOC1)[C@H]1CCS(=O)(=O)C1 1689996923 RHMXHYFILQODCH-MSOLQXFVSA-N 462.547 2.050 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H]1CCCS(=O)(=O)C1 1690039825 UHIOFJUZMKSOCM-GOSISDBHSA-N 456.568 2.250 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](CC)Oc2cccc(F)c2)CC1 1690134999 NZCGDGWBIWADOM-FQEVSTJZSA-N 484.576 2.379 30 10 JEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2cc(F)ccc2OC)CC1 1690154738 YCMZESQJZIGZJT-UHFFFAOYSA-N 486.617 2.350 30 10 JEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2F)C[C@@H]1C 1690155940 QEVORSQEWSLYJN-DLBZAZTESA-N 480.635 2.109 30 10 JEEE C#CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CC#C)CCOC 1690175395 WJYMITUAAVCSAA-GOSISDBHSA-N 463.604 2.039 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C#N)cc2)n1CCN/C(O)=C1\N=CC=CC1=O 1690212415 LEJVWTRSEGUNFF-RMPPEFSYSA-N 471.521 2.247 30 10 JEEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1690227582 CCGWDVLLGOJTAY-MRXNPFEDSA-N 476.335 2.373 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1690251486 VUDUUBGUNSHIJZ-IEZWGBDMSA-N 451.618 2.238 30 10 JEEE C=C(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1690298227 UCOZWSVABKMBOK-IRXDYDNUSA-N 485.593 2.458 30 10 JEEE C=C(Cl)Cn1c(N2CCN(C(=O)c3ccc(O)cc3)CC2)nnc1[C@@]1(OCC)CCOC1 1690358475 BINCJJCXRCBPIO-JOCHJYFZSA-N 461.950 2.351 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2csc(C)c2)CC1 1690411376 KSCGYOVPQHTSHJ-GOSISDBHSA-N 451.618 2.432 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1690433076 SFLMAJUIKFHZTO-DLBZAZTESA-N 458.650 2.186 30 10 JEEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1690449889 UBMRBEKUPVGIET-UHFFFAOYSA-N 493.659 2.146 30 10 JEEE C=CCCOCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN2CCOC[C@H]2C1 1690496935 CGGJVOBZFRJICI-OAQYLSRUSA-N 454.575 2.261 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(O)c1 1690609466 PHQQDTULSWOEEG-OAQYLSRUSA-N 487.582 2.193 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1690676315 WGFCCSDVHCJPHF-LJQANCHMSA-N 454.575 2.161 30 10 JEEE C=CCOc1ccc(Cn2c(-c3cnn(C)c3)nnc2N2CCC(N(C)S(C)(=O)=O)CC2)cc1 1690679168 MJERDFYFEKKMSZ-UHFFFAOYSA-N 485.614 2.152 30 10 JEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@H](C)c2nccs2)CC1 1690747080 SDRNCMPUQSAIQN-IAGOWNOFSA-N 482.701 2.439 30 10 JEEE CC(C)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCN2CCCO)CC1 1692423740 FUXHRXZSLWAMKK-HSZRJFAPSA-N 451.619 2.442 30 10 JEEE N#CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccnc2OCC(F)F)CC1 1698489971 FWULMYUITZXZBS-INIZCTEOSA-N 466.514 2.007 30 10 JEEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2c(F)cccc2Cl)CC1 1705533172 JSPDXRVSFRPTTF-KRWDZBQOSA-N 458.925 2.398 30 10 JEEE C#CCN(c1nnc([C@H]2COc3ccccc3O2)n1CCCOCC(F)F)[C@H]1CCS(=O)(=O)C1 1705564482 CKIBTDRKPJNAFZ-QFBILLFUSA-N 496.536 2.089 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(F)ccc2Br)n1CCCn1cc(CO)nn1 1705592002 OBWZRTAOVTZEJJ-UHFFFAOYSA-N 486.349 2.484 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCCN2C[C@@H](C)C[C@H](C)C2)CC1 1705632330 MKZWFUBKPCTXHM-SFTDATJTSA-N 457.667 2.320 30 10 JEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2cc(C)ccc2OC)CC1 1705659629 BOZIKEHYHXBMOC-FQEVSTJZSA-N 468.627 2.235 30 10 JEEE C#CCSCCn1c(COc2cccc(C)c2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1705664598 UXJUIAKRXFYFPJ-UHFFFAOYSA-N 477.656 2.392 30 10 JEEE C=C(Br)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1705679253 GZBVIIPJEDNELB-GASCZTMLSA-N 468.739 2.332 30 10 JEEE C=C(Br)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1705683677 AELMMPOTIIYEEG-UHFFFAOYSA-N 492.378 2.409 30 10 JEEE C=CCCOCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1705826583 WYHRSQQDDQGSSM-MRXNPFEDSA-N 459.938 2.059 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1705936252 MNYCFIMDRPXYBN-ZWKOTPCHSA-N 483.635 2.076 30 10 JEEE CCNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[S@](=O)C(C)(C)C)CC1 1710342757 AKUJIVTWQDCHJL-UMSFTDKQSA-N 487.630 2.127 30 10 JEEE CS(=O)(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCCS2)CC1 1712705659 ANEGVABIHPSUIC-LJQANCHMSA-N 476.628 2.096 30 10 JEEE C#CCCCCn1c(CN2CCCC2=O)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 1722318480 PAJKTNIFKKCQOE-KRWDZBQOSA-N 458.588 2.049 30 10 JEEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1722461964 WFXWJZXYGLRBRR-FQEVSTJZSA-N 453.616 2.213 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCSCC(C)C 1722474085 LATIGPSQVOYBLT-WIYYLYMNSA-N 469.677 2.382 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)Cc1ccccc1OC 1722523211 HCWVDLUKFPGLRN-PXNSSMCTSA-N 463.604 2.263 30 10 JEEE C=C(C)COCCn1c(-c2ccccc2F)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1722531209 IPDQOEYYXJRRAX-LJQANCHMSA-N 456.522 2.444 30 10 JEEE C=C(C)Cn1c(N2CCC(NS(C)(=O)=O)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1722553308 NAKPEQPLZGEPDM-WOVMCDHWSA-N 468.624 2.143 30 10 JEEE C=CCCOCCn1c(Cc2ccccn2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1722629037 KZDRAKHCHQBXSA-QPPBQGQZSA-N 481.645 2.236 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 1722679684 JFDRGNDFJFYDRU-SFHVURJKSA-N 460.579 2.435 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1722695332 ZZNGORKJFBULCZ-HOTGVXAUSA-N 456.572 2.053 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N(C)Cc1cc2c(cc1OC(F)F)OCO2 1722699542 VYFAJELQLGTRBH-CYBMUJFWSA-N 465.457 2.051 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H](c2ccccc2OC)C1 1722702034 CTVUMVYVAJEIKN-SPEDKVCISA-N 455.559 2.307 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1722702408 NQCQRNQYIVSRMF-IBGZPJMESA-N 479.566 2.374 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC(=O)NCc2ccco2)C1 1722714755 LEOSVICEGVUGJT-IBGZPJMESA-N 485.566 2.039 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2CCCN2C[C@H]1C 1722732058 UGVKIZSSOXYXDC-UYAOXDASSA-N 470.599 2.002 30 10 JEEE CCCN1CC[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(C(=O)NCC)CC2)C1 1728118550 BAZLOEIYSLAHDX-HXUWFJFHSA-N 450.591 2.400 30 10 JEEE N#Cc1ccc(OCc2nnc(N3CCN(CC(=O)N4CCCCC4)CC3)n2CC(F)(F)F)cc1 1731184627 FLHXBDIRCLNONF-UHFFFAOYSA-N 491.518 2.426 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2Cc2ccc(NC(C)=O)nc2)c1 1740565016 GOHMAROYZJMBAH-UHFFFAOYSA-N 461.526 2.273 30 10 JEEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCN(C)CC(F)(F)F 1740610316 WVEMQXLLOGJEOF-UHFFFAOYSA-N 450.513 2.406 30 10 JEEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 1740714944 ANISRMMLCIQXRX-UHFFFAOYSA-N 453.572 2.345 30 10 JEEE C=C(C)COCCn1c(-c2ccccn2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1740790791 NQAOXKRFJPFVQI-QFIPXVFZSA-N 469.634 2.164 30 10 JEEE C=C(Cl)Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1740813567 COIJPFJJCACJEZ-HNNXBMFYSA-N 459.041 2.494 30 10 JEEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCCCC2)nc1)C1CC1 1740906052 KOWNIOHMKPJBOV-KRWDZBQOSA-N 459.620 2.477 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN(C(C)=O)C1 1740937549 JAZXNOZSPNKEDO-UXHICEINSA-N 475.615 2.267 30 10 JEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C(=O)NCCCOC)CC1 1740950467 QKWDLAXEOHWSGI-IBGZPJMESA-N 492.621 2.142 30 10 JEEE C=CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1741003011 NSUHLGITYYJEEM-QAPCUYQASA-N 450.586 2.333 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1CN(CC(C)C)CCO1 1748831681 UBVRGAZFTFYHOO-QHCPKHFHSA-N 451.571 2.392 30 10 JEEE C#CCN(CC)c1nnc(CSc2ccccc2OC)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1748939041 MXCRZEADAWYNPY-QGZVFWFLSA-N 463.629 2.320 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCCNC(=O)c2occc2C)CC1 1748985028 ZPGDDLRQVQBQOV-UHFFFAOYSA-N 492.580 2.439 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@]2(O)CCCC2(C)C)CC1 1749017199 WXQYRURZARQVNK-RUZDIDTESA-N 450.587 2.171 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2ccc(N3CCCCC3)nc2)CC1 1749019154 MXOKRWVLQFBNJR-UHFFFAOYSA-N 465.602 2.214 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCNC(=O)C(C)(C)C)CC1 1749019238 QDZQTEVKOGUYSU-WOJBJXKFSA-N 486.661 2.325 30 10 JEEE C=C(Br)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC(OCC(N)=O)CC1 1749109258 GLTOOUGQLNJEQL-UHFFFAOYSA-N 478.391 2.451 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1749366624 IEZGGCNPCJIYDF-INIZCTEOSA-N 493.659 2.489 30 10 JEEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@H](C(C)(C)C)C1 1749671183 ZNAZVSOCALLPKW-IBGZPJMESA-N 468.606 2.006 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1749729558 NEQVDHFSCDSJAS-HZPDHXFCSA-N 454.980 2.439 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CC[C@]3(CCSC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1749740334 USGMZQMTCRPVQM-LEWJYISDSA-N 470.661 2.253 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1[C@H]1C[C@H](c2ccc(F)cc2)C1 1750075748 HMLCJNYYQNCLTO-LWCVALJOSA-N 476.578 2.465 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cccc(CS(C)(=O)=O)c1 1760098837 AMPVTYAQLBGAAQ-JPYJTQIMSA-N 460.600 2.370 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CCc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1760189984 NANWQFCJCOJPMW-NRFANRHFSA-N 453.543 2.272 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1ccc(NC(C)=O)cc1)[C@H]1CCS(=O)(=O)C1 1760190072 XWKCPLZUXBMDPO-SFTDATJTSA-N 471.583 2.153 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(OCC=C)cc1)[C@@H]1CCS(=O)(=O)C1 1760192391 UGPFMELCKOFKGH-JOCHJYFZSA-N 494.621 2.380 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1760198772 INPQVQMVFHTAJQ-IBGZPJMESA-N 485.610 2.095 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H](C)CN1CCOCC1 1760243621 BWJJRQASASDDHH-INIZCTEOSA-N 465.396 2.090 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCC(=O)N[C@@H](C)CC)CC1 1760259169 ZKLXWZIKPPYBKH-SFHVURJKSA-N 454.575 2.022 30 10 JEEE C#CCSCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCN(CC(=O)NCC)CC1 1760273614 ABAUYHSKTWGDIZ-UHFFFAOYSA-N 477.638 2.426 30 10 JEEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN([C@H](C)C(=O)NCCCOC)CC1 1760370706 AXELXDJYBGMRPV-MRXNPFEDSA-N 482.416 2.409 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1760523685 FQFOACZHKFWTKQ-QFIPXVFZSA-N 463.586 2.406 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC2(C(N)=O)CCOCC2)C1 1760547903 UHMJETZNYLUWFX-IPMKNSEASA-N 461.607 2.260 30 10 JEEE C=CCNC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)[C@@H]1CC(=O)N(c2ccc(C(=O)OCC)cc2)C1 1861612060 ZYGCLWLWIRWGMT-KNQAVFIVSA-N 481.524 2.385 30 10 JEEE C=CCOc1ccccc1[C@H]1C(C(=O)N2CCC[C@H](CO)C2)=C(N)Oc2c1c(CC)nn2C 1865225901 RHXSPEHOBMOPEE-OXJNMPFZSA-N 452.555 2.473 30 10 JEEE C=CCOc1ccccc1[C@@H]1C(C(=O)N(C)CCC(=O)OCC)=C(N)Oc2c1c(C)nn2C 1865227454 JQDIYYSUKVOXOR-FQEVSTJZSA-N 454.527 2.400 30 10 JEEE C=CCOc1ccccc1[C@H]1C(C(=O)NCCCCCC)=C(N)Oc2c1c(=O)n(C)c(=O)n2C 1865725551 FGDHKAYOZUJVPU-SFHVURJKSA-N 468.554 2.040 30 10 JEEE Cc1ccc(-n2nnc(C#N)c2NC(=O)CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1F 1870155593 VGWAHBBGXQKTRF-UHFFFAOYSA-N 463.385 2.120 30 10 JEEE Cc1cccc(-n2nnc(C#N)c2NC(=O)CCCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1 1870155660 YQAUPMLORVDVGB-UHFFFAOYSA-N 459.422 2.371 30 10 JEEE C=CCOc1ccccc1OCC(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)CC1 1873782228 VCOUKKGIAZVDFF-HXUWFJFHSA-N 463.534 2.354 30 10 JEEE C=CCNC(=O)c1nc(C(=O)N2CCC(Cn3cnc4cc(OC)ccc4c3=O)CC2)cs1 1891583019 NYLSZGIQMQTCQS-UHFFFAOYSA-N 467.551 2.330 30 10 JEEE Cc1cccc(-n2ncc3c(=O)n4c(nc32)S[C@@H](CC(=O)N2CC(Oc3cccnc3C#N)C2)C4)c1 1892193999 GBGJRDPVNSZTQH-SFHVURJKSA-N 499.556 2.312 30 10 JEEE CC(C)(C)OC(=O)NC[C@@]1(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CCCOC1 2180984033 SSFWKQRQDCOPAU-QFIPXVFZSA-N 462.356 2.036 30 10 JEEE C[C@@H]1CC[C@H]([C@@H](NC(=O)OC(C)(C)C)C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)O1 2180991079 JHLKHODUJIJQFL-FVQBIDKESA-N 462.356 2.175 30 10 JEEE CC(C)(C)OC(=O)N1CC(O)(CCNC(=O)c2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2255644741 CPCDXJNXLSVAKX-UHFFFAOYSA-N 452.382 2.149 30 10 JEEE CC(C)(C)OC(=O)N1CC2(C1)CN(S(=O)(=O)c1ccc(B3OC(C)(C)C(C)(C)O3)s1)C2 2255750618 MXHUDOVIEUWADI-UHFFFAOYSA-N 470.422 2.289 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](O)CN(C(=O)c2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2255802987 IDRZYDLWAHBBLN-KGLIPLIRSA-N 452.382 2.147 30 10 JEEE C=C(CS(=O)(=O)NCCO[C@H]1CCN(C(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2255955278 LJNKDUPGPPVHNU-INIZCTEOSA-N 460.402 2.119 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C[C@H]1CO 2267137723 PATOZUPNWGFTMK-GOEBONIOSA-N 466.409 2.395 30 10 JEEE CN(C[C@H]1COCCN1C(=O)OC(C)(C)C)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)o1 2267291123 LZSHGJIRGRXZLU-HNNXBMFYSA-N 450.341 2.287 30 10 JEEE CN(Cc1ccccc1)[C@]1(CNC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)CCOC1 2267548861 VROSBLXGWKTSTH-QHCPKHFHSA-N 457.405 2.463 30 10 JEEE CC(C)(C)OC(=O)NCC(=O)NCC(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccc1Cl 2268649679 FEEDDPAZOWRWRK-UHFFFAOYSA-N 467.759 2.219 30 10 JEEE CN(Cc1csc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)[C@@H]1C[C@H](O)CN1C(=O)OC(C)(C)C 2268656117 SUOUQMNJSGANAB-HOTGVXAUSA-N 466.409 2.376 30 10 JEEE C[C@@H](CCNC(=O)OC(C)(C)C)CCNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2268669935 FKSDKGBZCKKLQM-OAHLLOKOSA-N 450.389 2.390 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CO)CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(F)cc1Cl 2270444086 FWSISBNJJAQPPZ-LBPRGKRZSA-N 472.750 2.394 30 10 JEEE Cn1ncc(C(=O)N2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)c1B1OC(C)(C)C(C)(C)O1 2281824916 XTDFNNQWSOFRLH-HOTGVXAUSA-N 460.384 2.048 30 10 JEEE CN(CC1CCN(C(=O)OC(C)(C)C)CC1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2281959575 ODROQNBUIONDCQ-UHFFFAOYSA-N 462.400 2.438 30 10 JEEE CCc1nn(C)c(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H]3C[C@H]32)c1B1OC(C)(C)C(C)(C)O1 2281986886 WCNTVRVGQRASBD-CVEARBPZSA-N 460.384 2.116 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H](C)[C@H](CNC(=O)OC(C)(C)C)C2)n1 2281996185 LUEIPNIZBWFQIU-HZPDHXFCSA-N 462.400 2.435 30 10 JEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CCNC(=O)[C@H]2C[C@H](B3OC(C)(C)C(C)(C)O3)C2)C1 2282062477 YYUYBQDLERGYNB-ULQDDVLXSA-N 486.440 2.399 30 10 JEEE Cc1nc(S(=O)(=O)N(C)[C@@H]2CC[C@@H]2OCc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)n1C 2282506132 NSGJZLCROUAYNM-MOPGFXCFSA-N 475.420 2.396 30 10 JEEE CC(C)(C)OC(=O)N1CC2(CCOCCN2C(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282536377 BIVRIWLSQXVOKL-UHFFFAOYSA-N 462.352 2.431 30 10 JEEE Cn1ncc(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 2282536603 FLGQBCDGCOSMAZ-MUJYYYPQSA-N 460.384 2.380 30 10 JEEE Cc1nn(C)c(C(=O)NCC2(F)CC(NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2282585367 KXFCNISZZQRFHJ-UHFFFAOYSA-N 466.363 2.153 30 10 JEEE CCN(C(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)nn(C)c2C)C1 2282592823 IJXAVHJMPBISHC-MRXNPFEDSA-N 462.400 2.499 30 10 JEEE C[C@H]1[C@@H](C)N(C(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)C[C@@H](C)N1Cc1ccccc1 2282621604 UTIBBJCUYJVEKC-FGTMMUONSA-N 453.396 2.238 30 10 JEEE CN(C(=O)OC(C)(C)C)C1CCC(NC(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)CC1 2282624641 NEQLXOUZWKEJAT-UHFFFAOYSA-N 463.388 2.022 30 10 JEEE CC(C)(C)OC(=O)NCCN1CCC(NC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)CC1 2282629523 WWIGHDMFUQHRHL-UHFFFAOYSA-N 480.440 2.161 30 10 JEEE CCN(CC(C)(C)CNC(=O)OC(C)(C)C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282700524 QXNDUURHDWBAJV-UHFFFAOYSA-N 465.404 2.127 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1NS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282864737 KDOPCXYETIRFBA-YJBOKZPZSA-N 481.424 2.353 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H](NS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1)C(F)(F)F 2282868178 JXQLWDSJABMEFP-CQSZACIVSA-N 495.329 2.115 30 10 JEEE COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C 2283966700 YADSATWXASHARG-WBVHZDCISA-N 462.352 2.303 30 10 JEEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)C(=O)C1(CO)CN(C(=O)OC(C)(C)C)C1 2283988095 QNXZGUHCJZXKQS-UHFFFAOYSA-N 460.380 2.174 30 10 JEEE CN(CCNC(=O)OC(C)(C)C)CC(=O)N1CCc2cc(B3OC(C)(C)C(C)(C)O3)ccc21 2284069010 LESARDVVYLHKFA-UHFFFAOYSA-N 459.396 2.331 30 10 JEEE CN(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C)[C@H]1CC[C@H]1NC(=O)OCc1ccccc1 2315536895 OAVCAKUIBWQKAI-MSOLQXFVSA-N 468.363 2.249 30 10 JEEE CC(C)(C)N1C[C@@H](c2nnc(SCC(N)=O)n2N=Cc2cc(Cl)ccc2O)CC1=O 2327842801 OEWAJOAZUHFONN-LBPRGKRZSA-N 450.952 2.211 30 10 JEEE COc1ccc(OC)c(C=CC(=O)[C@@H]2CNCC[C@H]2NC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)c1 2328155837 NDWWUMPMETUQLY-NPFVIJTESA-N 491.544 2.065 30 10 JEEE COc1cccc(C=Nn2c(CNC(C)=O)nnc2SCC(=O)Nc2ccc(F)cc2)c1O 2330731441 GUXSOOYXWRUBSA-UHFFFAOYSA-N 472.502 2.381 30 10 JEEE COCc1nnc(SCC(N)=O)n1N=Cc1ccc(OC(=O)c2ccccc2)c(OC)c1 2331566133 JQXAXSJYOLBCOO-UHFFFAOYSA-N 455.496 2.112 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CN(c2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)CC[C@@H]1CO 2345744159 YEPRXSRCOFWABK-PBHICJAKSA-N 451.348 2.232 30 10 JEEE CC[C@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)CC[C@@H]1NC(=O)OC(C)(C)C 2362352233 BYDBNQMGAHCQQY-HOTGVXAUSA-N 462.400 2.485 30 10 JEEE COc1ccc(O)c(/C=N/Nc2nnc(SCC(=O)NC3CC(C)(C)NC(C)(C)C3)[nH]2)c1 20832590 JDGPSPSLWXNXSX-SSDVNMTOSA-N 461.592 2.482 30 10 JEEE CCc1nnc(CN(CC)C(=O)CSc2n[nH]c(N/N=C/c3ccc(C(=O)OC)cc3)n2)o1 20906100 KYYKAAVNTKXVNU-UFFVCSGVSA-N 472.531 2.124 30 10 JEEE C=CCn1c(=O)c(=O)n(CCC(=O)NCCN2CCN(c3cccc(Cl)c3)CC2)c2ccccc21 33272478 DAPCRJHXWBHKQW-UHFFFAOYSA-N 496.011 2.331 30 10 JEEE C=CCN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1)Cc1cccc([N+](=O)[O-])c1 557876129 IJZJACFTTMPNMO-UHFFFAOYSA-N 476.530 2.255 30 10 JEEE COC(=O)c1csc(S(=O)(=O)N2CCN(C(=O)Nc3cc(F)cc(C#N)c3)CC2)c1 1208345909 FROCCKCCYUBSJT-UHFFFAOYSA-N 452.489 2.084 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1Cc1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1286380853 DTBCKNMAVFNINT-HNNXBMFYSA-N 493.387 2.316 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2cccc(C)c2C)n1Cc1nncn1CC)[C@@H]1CCS(=O)(=O)C1 1286385964 RSEPKTFPDUYBGH-VQTJNVASSA-N 497.625 2.321 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCOC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1286392674 MPZPFONDPJSDJQ-QGZVFWFLSA-N 451.618 2.076 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(OC)c(OC)c2)CC1 1286492108 HHYIFJXYVVHZOT-UHFFFAOYSA-N 491.596 2.171 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)CC(=O)N1CCOCC1 1286546374 IVPFMHHKTWFTQM-OFNKIYASSA-N 496.612 2.423 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)C1CCC(NC(C)=O)CC1 1286549786 WNNCNOWGPUGUNB-HAMDTZRPSA-N 458.607 2.379 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1286558830 RBAAIOKJVJHVAE-AZUAARDMSA-N 460.623 2.021 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CC[C@@](O)(Cc2cccc(Cl)c2)C1 1286787580 HGPJGKVGJPDFBT-FDDCHVKYSA-N 459.978 2.312 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCO[C@@H](COC)C1 1286791761 BSRHGXWIGCPHAB-OAHLLOKOSA-N 470.357 2.318 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](c2ccnn2C)C1 1286791814 DHQLGXGLKSWFAC-LJQANCHMSA-N 460.542 2.148 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H]1c1cccc(OC)c1 1286814660 VLQOWQWRNLCIAG-HXUWFJFHSA-N 473.599 2.465 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CC[C@](C)(C(N)=O)C1 1286814699 DWBBQUHITDAPJU-NYHFZMIOSA-N 477.656 2.434 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCC(OC[C@H]2CCOC2)CC1 1286817233 RKXNRBTZGCCIHP-SFHVURJKSA-N 464.588 2.469 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1Cc1cc2c(cc1OC(F)F)OCO2)[C@@H]1CCS(=O)(=O)C1 1300497396 YUKFIFRETYZTHW-MRXNPFEDSA-N 496.536 2.482 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCO[C@@H](C)C1 1300663701 HKAXFYCVHXFBAE-ROUUACIJSA-N 450.543 2.093 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@H]2CCCN2CCCO)CC1 1300682033 DJXFNGYMDOAIBB-RBBKRZOGSA-N 470.593 2.159 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)cn2C)n1CCCS(C)(=O)=O 1300788905 QIMONUSEZJMJFQ-GOSISDBHSA-N 454.394 2.473 30 10 JEEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OC)c(Br)c1 1301272968 MIKXTAPSWNASHU-GFCCVEGCSA-N 458.382 2.330 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1301295203 VWQJGCIHZQAWLN-QZTJIDSGSA-N 482.651 2.296 30 10 JEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1c[nH]c2c(C)cccc12 1301296474 HMDWNDSGWBPPDM-LJQANCHMSA-N 458.588 2.266 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCO1 1301354995 NAMLJESCKBSXJS-UYAOXDASSA-N 479.578 2.122 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@@H](C)C[C@H]1CC 1301576786 HFABNXANORZELU-FUHWJXTLSA-N 456.576 2.146 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1301576900 IKOXRIMNITULPQ-DENIHFKCSA-N 473.643 2.265 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CC=C(C)CC1 1301586260 JJLZISVGPUACPX-UHFFFAOYSA-N 484.670 2.400 30 10 JEEE CC(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCOC[C@@H]2CCOC2)CC1 1301695850 GPAAWTNGTKQBDR-NRFANRHFSA-N 452.559 2.319 30 10 JEEE CS(=O)(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nccn2C(F)F)CC1 1302438316 FOGQFIYSXYHIDK-UHFFFAOYSA-N 461.498 2.470 30 10 JEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCCn2cc(C)nc21 1358941383 IFBFJAPYTUTJKK-LJQANCHMSA-N 467.599 2.347 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1Cc1cn(CCCCC)nc1C)[C@@H]1CCS(=O)(=O)C1 1358961349 WWGBJTVEQQTTES-HXUWFJFHSA-N 482.614 2.105 30 10 JEEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1CC[C@H]1C[C@H](F)C1)[C@@H]1CCS(=O)(=O)C1 1358966228 KCEDYSJNPDHEJE-BRWVUGGUSA-N 479.603 2.035 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1cccnc1OCC 1359002516 CCDKPLHBGIETNC-UHFFFAOYSA-N 468.583 2.497 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC2=CCCOC2)CC1 1359034781 CHMSUONKDYGFRN-OAQYLSRUSA-N 470.618 2.495 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1359041182 PEFFXLOGAGSPPI-UTKZUKDTSA-N 496.587 2.438 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2C[C@H]2CCOC[C@H]2OC)CC1 1359043464 VBBUHZMIHWJWAA-IFMALSPDSA-N 451.571 2.271 30 10 JEEE C=C(Cl)Cn1c([C@H]2CCOC2)nnc1N1C[C@@H](C(=O)OC)[C@H](CNC(=O)OC(C)(C)C)C1 1359150544 AQDDMEBNHQZEFI-ARFHVFGLSA-N 469.970 2.285 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@](F)(C#N)C1 1359294304 PWXKIJUKLLANCP-IBGZPJMESA-N 463.311 2.460 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCC[C@H](OCC)C1 1359299196 YDCYGQWABCLWKB-SFHVURJKSA-N 479.585 2.373 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2c(CC)nn(C)c2OC)C1 1359311473 BHJDKYVLNDCYOH-MRXNPFEDSA-N 466.546 2.060 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N(C)C[C@@H]1COc2ccccc2O1 1359331642 DXPTYGPTRNRBPQ-YLJYHZDGSA-N 462.572 2.397 30 10 JEEE CCOC(C)(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1502535592 DZRKHBIFWZSBRB-KRWDZBQOSA-N 483.621 2.388 30 10 JEEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCc1cnn(C)c1 1503476140 GJAJDWAQNDQDIK-FQEVSTJZSA-N 453.572 2.055 30 10 JEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2ccccc2)C[C@@H]1C 1507559086 ZYSRCAYKHFTPFX-PMACEKPBSA-N 458.632 2.403 30 10 JEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 1507590650 FTDOEJJQOUSHDR-SFHVURJKSA-N 465.620 2.335 30 10 JEEE C#CCN(c1nnc(-c2ccccc2)n1Cc1ccc(N(C)C)nc1)[C@@H]1CCS(=O)(=O)C1 1507628701 HZZJECOVANACKK-HXUWFJFHSA-N 450.568 2.081 30 10 JEEE C#CCN(c1nnc(CC2CCCC2)n1CC(=O)N(C)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1507635143 PQXKMVOGWQNZSM-OAQYLSRUSA-N 475.659 2.429 30 10 JEEE C#CCSCCn1c(N2CCc3c(ccnc3N(C)C)C2)nnc1[C@@]1(OCC)CCOC1 1507757994 FORNGNNHPIPAQR-HSZRJFAPSA-N 456.616 2.320 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC2CCCC2)nnc1N1CCCN(S(C)(=O)=O)CC1 1507804815 IAXUTFLBROECPD-TZIWHRDSSA-N 451.637 2.464 30 10 JEEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCn2c(nnc2-c2ccccc2)C1 1507835783 MAOASNFTVSCKDE-UHFFFAOYSA-N 450.547 2.288 30 10 JEEE C=C(C)COCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(NC(C)=O)CC1 1507846216 YUDRDJZPASHARX-HXUWFJFHSA-N 492.621 2.284 30 10 JEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccc(Cn3ccnc3)c2)CC1 1507883067 YYRVYNKJCDETRW-GOSISDBHSA-N 455.588 2.338 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nnc(CC)s1 1508032791 HWHINDJIVAMTQL-HNNXBMFYSA-N 462.601 2.471 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1CC1CCS(=O)(=O)CC1 1508040201 UIBYKTJRVGAHSD-HXUWFJFHSA-N 462.572 2.254 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(C(C)=O)C[C@H]1C 1508134403 DLTNSIKTQVCDJB-SJORKVTESA-N 479.578 2.215 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCN(c2ccccc2F)CC1 1508143291 GASHGCSHJVEFMU-UHFFFAOYSA-N 470.574 2.330 30 10 JEEE CC1(C)CC(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(CC#N)CC2)C1 1510300635 AVGQPNNKIXXKHC-GOSISDBHSA-N 450.609 2.177 30 10 JEEE COC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1)OC 1518729457 AAWGLXWMZKASBW-WIYYLYMNSA-N 471.558 2.164 30 10 JEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(Cc2cc(C)no2)CC1 1539101523 ABZQTSMUQZOYEP-UHFFFAOYSA-N 497.625 2.227 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)Cc1ccc(OC)cc1 1539124944 JBDMCROQPIKQCU-HXUWFJFHSA-N 461.588 2.060 30 10 JEEE C#CCN(C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1539162080 NMSHFIIGDNSKGS-ROUUACIJSA-N 467.549 2.378 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCn1cc(Cl)cn1)[C@H]1CCS(=O)(=O)C1 1539213053 UWMFMTWEISMDCO-SFHVURJKSA-N 474.974 2.131 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1539350096 ADDBWPLHCNABFV-PMACEKPBSA-N 499.616 2.154 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC2(O)CCOCC2)CC1 1539488136 IIQURFAJORFEKY-UHFFFAOYSA-N 487.988 2.018 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2cc(OC)cc(OC)c2)CC1 1539798046 AVZKNOFTZRGPQK-IBGZPJMESA-N 460.966 2.321 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCNC(=O)C1)C(C)C 1540146998 ICUZTYFVXIZZNE-HXUWFJFHSA-N 466.586 2.351 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCN2C(=O)NC[C@H]2C1 1540862626 GDYLZHMLKWMHAH-AEFFLSMTSA-N 487.992 2.204 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2([S@](C)=O)CC2)C1 1540886291 ZKBUFYCVWGNJDP-ZQHDKMAOSA-N 464.613 2.041 30 10 JEEE Cc1cccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2CCS(=O)(=O)N2CCSCC2)n1 1542619893 BKKMQPZUGXLMOX-OAQYLSRUSA-N 475.644 2.157 30 10 JEEE CCN(CC)C(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2[C@H]2C[C@H]2C)CC1 1547416839 BRHWUXBKZVIMFM-NQIIRXRSSA-N 451.575 2.300 30 10 JEEE COC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(C(N)=O)CCCC2)C1 1554522812 BDUUTRWBLHEVLT-GOSISDBHSA-N 466.542 2.164 30 10 JEEE C#CC[C@H](NC(=O)c1occc1CS(=O)(=O)c1ccc(Br)cc1)C(=O)OC 1570221694 SLHAHEYQWHYREL-HNNXBMFYSA-N 454.298 2.311 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H](N1CCOCC1)C(F)(F)F 1587632607 MXLQLQXIPDBQJP-MJGOQNOKSA-N 492.550 2.173 30 10 JEEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 1587879284 QRQVCOODGPPWDX-UHFFFAOYSA-N 460.586 2.314 30 10 JEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CCCNC(=O)OC(C)(C)C 1588162571 VVCVFCLOQRVPGB-UHFFFAOYSA-N 456.572 2.257 30 10 JEEE C#CCN(CCOC)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1COc2ccccc2O1 1588673720 YBQHWMMJMHGVLB-KRWDZBQOSA-N 467.551 2.196 30 10 JEEE C#CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1589036428 HJWPOIVSUDRGRC-UHFFFAOYSA-N 498.653 2.073 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2OC)n1CCNS(=O)(=O)Cc1ccon1 1589191895 ALQDUKLWXUQPSJ-JOCHJYFZSA-N 470.555 2.053 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC2CC2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1589559242 OXXVSODHYTZVLX-RXVVDRJESA-N 451.637 2.462 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)NCC(F)F 1595219183 RNSWISLIXQBPPF-HNNXBMFYSA-N 470.521 2.146 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](N2CCOCC2)C(F)(F)F)C1 1595745189 QWUZSGUCTCDKKB-RTBURBONSA-N 483.539 2.184 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1595776474 APTPPHBPSPLUED-SFHVURJKSA-N 457.600 2.349 30 10 JEEE C#CCN1CCC[C@@H](NC(=O)[C@@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc(F)cc2)C1 1595791033 VYKMBCDKRAHRTN-GGAORHGYSA-N 455.555 2.155 30 10 JEEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(Cc2cccnc2)n1CC(C)(C)CN(C)C 1612884874 HTCGLOSMTIDBRX-IBGZPJMESA-N 474.617 2.228 30 10 JEEE CCC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(C(N)=O)nc2)CCN1CCOC 1614442281 DXJMJVFNHFYQFU-JOCHJYFZSA-N 488.596 2.296 30 10 JEEE C#Cc1cccc(NC(=O)CNS(=O)(=O)c2cc(Br)ccc2C(=O)OC)c1 1621671946 MTTSQODGRWQJDC-UHFFFAOYSA-N 451.298 2.134 30 10 JEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1ccc(-n2cncn2)cc1 1629684169 ABJGYAKMJVXTFO-IBGZPJMESA-N 452.540 2.037 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@](C)(OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1689983024 ZDIZXWPHLCYKSX-CVDCTZTESA-N 458.584 2.396 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1CCNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1689986942 ZVWFRTGVOZNVCQ-KRWDZBQOSA-N 489.598 2.105 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ccc(OCC(C)C)cc1)[C@H]1CCS(=O)(=O)C1 1689988327 MXTFOLZDVDOSGF-FQEVSTJZSA-N 480.594 2.445 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1C[C@H](c1cccc(F)c1)N(C)C)[C@H]1CCS(=O)(=O)C1 1689993937 NZXBXXTYTMWJGY-LEWJYISDSA-N 459.591 2.299 30 10 JEEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](c1ccc(C)o1)N1CCOCC1 1690058337 UQQGNRJUOHGNLO-IBGZPJMESA-N 463.542 2.360 30 10 JEEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCN1CCN(CC)CC1 1690077928 ZVMPMJZVAVGJQR-OAQYLSRUSA-N 489.665 2.074 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccccc2C(F)(F)F)CC1 1690124905 WTAMUKBXBXMTEK-QGZVFWFLSA-N 467.517 2.003 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(CC)cc3)n2CCC2(O)CCOCC2)CC1 1690139709 YCBZCEQITYMEAI-UHFFFAOYSA-N 465.598 2.405 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCOc2ncccc2Cl)CC1 1690142787 UGNWCHRGIHNIFO-UHFFFAOYSA-N 465.945 2.433 30 10 JEEE C=C(Br)Cn1c(-c2ccc[nH]2)nnc1N1CCN(Cc2nc(COC)no2)CC1 1690225579 DKLBHFDAOKAMCJ-UHFFFAOYSA-N 463.340 2.033 30 10 JEEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1690234985 TVCABMGIACYQMX-QAETUUGQSA-N 457.369 2.295 30 10 JEEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CC[C@]2(CCOC2)O1 1690518524 MUZYEANZUPQDEV-XMSQKQJNSA-N 461.588 2.156 30 10 JEEE C=CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1690642304 HRVIWVWMZHQDGM-QGZVFWFLSA-N 482.651 2.487 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N(C)Cc1ncc(Cl)n1C 1690672393 QMUKLYQAFOVPHI-MRXNPFEDSA-N 457.922 2.116 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@H](C(=O)NC)C1 1690715384 KDPNFSOWOLRGEH-SJORKVTESA-N 479.578 2.120 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCCN(C)C(C)C)CC1 1705632352 NFQRCTDKMVENLP-UHFFFAOYSA-N 472.037 2.347 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2CCCc2cnn(C)c2)CC1 1705650691 XPQDZBLFSKRFMK-UHFFFAOYSA-N 481.551 2.479 30 10 JEEE C#CCSCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCO[C@H](C(=O)NC)C1 1705654647 OZRLRCRDLDUHAV-WBVHZDCISA-N 459.641 2.449 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1705936725 XCYNTDIALSXNGH-KKUMJFAQSA-N 452.499 2.277 30 10 JEEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CCOCC2)CC1 1705939751 LRDGUCTYFQOFRH-UHFFFAOYSA-N 457.604 2.146 30 10 JEEE COCC1(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)C[C@H]2CCN(C(C)=O)C2)CCOCC1 1712205224 AYRLABBQAWJBJF-JOCHJYFZSA-N 496.612 2.477 30 10 JEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CCc1noc(CC)n1)[C@@H]1CCS(=O)(=O)C1 1722358453 BTTUIMRMTQLSIS-QGZVFWFLSA-N 474.974 2.413 30 10 JEEE C=CCCCn1c(N2CCN(c3nccnc3C#N)C[C@H]2C)nnc1[C@@]1(OCC)CCOC1 1722622666 MIIDRIGEHXSSPW-WZONZLPQSA-N 452.563 2.273 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N(C)Cc1cc2c(cc1OC(F)F)OCO2 1722699543 VYFAJELQLGTRBH-ZDUSSCGKSA-N 465.457 2.051 30 10 JEEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCCN(C(C)C)CC2)cc1 1722703357 ZKZWKXIPMSAIEC-IBGZPJMESA-N 476.647 2.422 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC(F)(F)C2(OC)CCOCC2)C1 1722708938 GTPUGXDUWPUCDI-QGZVFWFLSA-N 469.533 2.126 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(N(C)C)CCCCC2)C1 1722718750 MNPAUCDHSTWBFU-RTBURBONSA-N 451.637 2.226 30 10 JEEE COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(C)Cc2ccccc2C1 1730762168 AVVAVWUHMZZDLK-HXUWFJFHSA-N 457.600 2.352 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1740541512 ATXACQDEYSOEED-ROUUACIJSA-N 475.615 2.480 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C)N2CCC[C@H](C)C2)c1 1740561785 BRKFZWUOKARFDH-JQVVWYNYSA-N 477.613 2.406 30 10 JEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2cccc(F)c2)CC1 1740567701 UZWSHDXVUOXQRH-SFHVURJKSA-N 462.595 2.153 30 10 JEEE C#CCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1740595156 NTIMVTSVMRXQMJ-UHFFFAOYSA-N 450.543 2.408 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCCn1nc(C)cc1C)[C@H]1CCS(=O)(=O)C1 1740620005 SLWFSKWUVSYQMO-NRFANRHFSA-N 482.610 2.484 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccccc1OC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1740626760 MZNOJLXZPHIUBC-IAGOWNOFSA-N 484.500 2.356 30 10 JEEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1C[C@H](c1cccc(OC)c1)N1CCCC1 1740641284 GJMLDLDAOMRJKJ-HSZRJFAPSA-N 460.582 2.319 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1CC1(N2CCC(OC)CC2)CCCC1 1740644574 LWUGJWSKLDUWCZ-GMAHTHKFSA-N 469.630 2.499 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1CCCN1C[C@H](C)O[C@@H](C)C1 1740681452 MGRBGQYNYZTHSN-OALUTQOASA-N 455.559 2.259 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCC(=O)N2CCOCC2)CC1 1740690033 GAXXKQBEZKAPMR-IBGZPJMESA-N 487.004 2.076 30 10 JEEE C#CCN1CCN(c2nnc(CSc3ccccc3OC)n2C[C@@H](C)CN2CCOCC2)CC1 1740700008 BXSMZRJUPOCFTA-NRFANRHFSA-N 484.670 2.303 30 10 JEEE C=C(Br)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1740735938 BQILBGMAUYYQJR-HNNXBMFYSA-N 462.352 2.139 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1740953530 IYRLRNNFNOFUHA-LJQANCHMSA-N 476.585 2.380 30 10 JEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(CO)(Cc2ccccc2)CC1 1740963445 LDOHQURCDSFFTA-UHFFFAOYSA-N 477.613 2.264 30 10 JEEE CC[C@@H](C)NC(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1743895113 HCBVFTDPSFAMHK-UYAOXDASSA-N 466.590 2.418 30 10 JEEE C#CCN(c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1748804349 FZLNORIGBCZPRT-NRFANRHFSA-N 494.621 2.068 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccc(OC(C)C)cc1)[C@H]1CCS(=O)(=O)C1 1748812090 PPPBCZLMQHVBSB-FQEVSTJZSA-N 468.583 2.141 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CCN1CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1748825346 XUWBJSDZQNBQBU-AZUAARDMSA-N 475.590 2.107 30 10 JEEE C=C(Br)Cn1c(-c2noc3c2COCC3)nnc1N1CCC(CCC(N)=O)CC1 1749098271 UTZPDPDSCYNWJX-UHFFFAOYSA-N 465.352 2.396 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1749101729 FUSLMTKNONFTIP-OAHLLOKOSA-N 462.348 2.359 30 10 JEEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@]2(CN(Cc3ccccc3)CCO2)C1 1749170281 JGXKKRGMXYXHLH-GBXCKJPGSA-N 488.658 2.336 30 10 JEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)Cc2ccccc2C)CC1 1749411683 CYKKOGOYQAVBIK-IBGZPJMESA-N 474.631 2.054 30 10 JEEE C=CCn1c(COc2ccc(Br)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1749640951 NGULNXPMMZAQQV-UHFFFAOYSA-N 463.380 2.016 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(Cc2cc(OC)cc(OC)c2)CC1 1749668901 AQZZDZNOGSBPTD-JOCHJYFZSA-N 484.601 2.161 30 10 JEEE C=CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1749745588 ANGQTAICMJJVLW-UHFFFAOYSA-N 484.626 2.144 30 10 JEEE Cc1ccc2c(CCn3c([C@@H]4CN(S(C)(=O)=O)CCO4)nnc3N(C)C[C@@H](C)C#N)c[nH]c2c1 1751590764 CSVALFHOEHDZRB-UWJYYQICSA-N 485.614 2.239 30 10 JEEE CC[C@@H](C)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1)OC 1752572227 AOIDOOCJACRYHF-UYAOXDASSA-N 466.590 2.168 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CC1(S(C)(=O)=O)CCCC1 1760115017 XLVZDFHJKFKBBY-HNNXBMFYSA-N 454.556 2.409 30 10 JEEE C#CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1760135161 LAAFQHSYVHAABJ-GOSISDBHSA-N 492.671 2.445 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCN1CCCCCC1)[C@H]1CCS(=O)(=O)C1 1760182052 AZNBXRXKLKNETP-IBGZPJMESA-N 477.034 2.496 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)ccc3Br)n2C[C@]2(O)CCSC2)CC1 1760254953 QUVVRXVDNYKQJL-OAQYLSRUSA-N 492.443 2.339 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2csc(CC)n2)CC1 1760260716 CYDAYHIGQKXZDO-UHFFFAOYSA-N 455.613 2.092 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC2C[C@H](C)O[C@@H](C)C2)CC1 1760265968 NFQGCAGDHRRMJQ-MHPIHPPYSA-N 473.618 2.100 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2CCCO[C@H]2C(C)C)CC1 1760273568 YHZQRNLHFCPCJB-MLCQCVOFSA-N 487.645 2.419 30 10 JEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)Nc2ccccc2)CC1 1760281434 SDYMVSYQGAJVFV-IBGZPJMESA-N 467.599 2.386 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1760314178 UHVJEUWKYITRTD-DLBZAZTESA-N 486.539 2.292 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(F)cc(OC)c1 1760337665 VBVFASSPKUVRAR-LJQANCHMSA-N 467.567 2.209 30 10 JEEE C=C(C)COCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(S(C)(=O)=O)CC1 1760350937 XFUWHXMYQATLPO-QGZVFWFLSA-N 467.567 2.232 30 10 JEEE C=C(Cl)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](C(=O)NC)C1 1760373841 CNRCPSDVOUYFFN-JKSUJKDBSA-N 468.986 2.301 30 10 JEEE C=CCCOCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCS(=O)(=O)CC1 1760449683 RCELKAZITDVBSP-UHFFFAOYSA-N 486.598 2.063 30 10 JEEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2ccnc(C)n2)CC1 1760452035 BUTSDNVCOMEFCU-UHFFFAOYSA-N 451.579 2.157 30 10 JEEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCCCS(C)(=O)=O 1760463932 UCZBNAIIKNYIHK-QGZVFWFLSA-N 471.624 2.424 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCN(C(=O)c2ccco2)CC1 1760552349 KXMDUBVOGBHTIB-UHFFFAOYSA-N 485.566 2.110 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@H](OCC)C1 1760553139 MFXFMVGGIOMHTJ-SFHVURJKSA-N 462.572 2.322 30 10 JEEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1768244814 CSLNDOCEQKOKDH-UHFFFAOYSA-N 474.587 2.309 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N(C)Cc1ccc(N2CCOCC2)cc1 1772566712 DZVUOGCKBQDLDK-NRFANRHFSA-N 454.575 2.295 30 10 JEEE COc1ccc(OC)c(C2=C(Nc3cccc(C#N)c3)C(=O)N(CCN3CCOCC3)C2=O)c1 1863376664 ZQJZDSBNBIMVKA-UHFFFAOYSA-N 462.506 2.100 30 10 JEEE C=CCn1cc(OCC(=O)Nc2cc(OC)c(Cl)cc2OC)c(=O)cc1CN(C)CCO 1870429419 ZBKPWQMMIMVKDB-UHFFFAOYSA-N 465.934 2.147 30 10 JEEE C=CCn1cc(OCC(=O)Nc2nc(C)c(C(C)=O)s2)c(=O)cc1CN1CCN(CC)CC1 1870585300 RCNOVPIXXNLEFU-UHFFFAOYSA-N 473.599 2.157 30 10 JEEE COc1ccc(N2C[C@H](c3nnc(SCCO)n3/N=C/c3cccc(OC)c3O)CC2=O)cc1 1874197831 CJLFACIJDAKHPT-ANDSAHIGSA-N 483.550 2.488 30 10 JEEE COc1ccc(N2C[C@H](c3nnc(S)n3/N=C/c3ccccc3S(=O)(=O)O)CC2=O)cc1 1874571168 ZINJJUHDRYRRIY-VPNURPJOSA-N 473.536 2.225 30 10 JEEE Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCC[C@H](Oc4nccnc4C#N)C3)C2)cc1 1891998549 WNUCZXWZQRAIRL-MOPGFXCFSA-N 469.567 2.127 30 10 JEEE CC(C)(C)OC(=O)NC1CC([C@H](F)C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 1907338513 AHOJREDWYFHCNA-ZALBZXLWSA-N 450.320 2.356 30 10 JEEE CC1(C)OB([C@H]2[C@@H]3CN(S(=O)(=O)CCCN4C(=O)c5ccccc5C4=O)C[C@@H]32)OC1(C)C 1978272350 JCAKXSFSJZPXIQ-PIIMJCKOSA-N 460.361 2.027 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1[C@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1(F)F 2124542942 LICIHSYHZZIOMI-QWHCGFSZSA-N 454.283 2.120 30 10 JEEE CC(C)(C)OC(=O)N1CC(CO)(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(Cl)s2)C1 2255611255 SDIBSPGIVSIZCH-UHFFFAOYSA-N 472.800 2.412 30 10 JEEE CC(C)(C)OC(=O)NC1CC(NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2255754153 ZUJFXNGKEYSJQR-UHFFFAOYSA-N 452.382 2.320 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CO)CNC(=O)c1cccc(Cl)c1B1OC(C)(C)C(C)(C)O1 2256088196 DVUWVTHCJVSJRN-ZDUSSCGKSA-N 454.760 2.255 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](O)C[C@@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2256628694 LMBURYIVVXIRGT-QWHCGFSZSA-N 453.370 2.141 30 10 JEEE CC1(C)OB(c2cnccc2C(=O)NC[C@@H]2CN(C(=O)OCc3ccccc3)CCO2)OC1(C)C 2266998121 PXFVMXDLYFUKPW-LJQANCHMSA-N 481.358 2.148 30 10 JEEE CO[C@H]1CN(C(=O)c2c(C)nsc2B2OC(C)(C)C(C)(C)O2)C[C@H]1NC(=O)OC(C)(C)C 2267125540 GNASMWKLNDWIQZ-KGLIPLIRSA-N 467.397 2.115 30 10 JEEE Cn1nc(C(=O)N=[S@](C)(=O)CCNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2267188437 LZHUPEHGAWEAPU-JGCGQSQUSA-N 490.819 2.135 30 10 JEEE Cc1nc(S(=O)(=O)NC2CC(OCc3ccccc3)C2)c(B2OC(C)(C)C(C)(C)O2)n1C 2267729577 NIAIFBHDQHXSKG-UHFFFAOYSA-N 461.393 2.054 30 10 JEEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)[C@H]1C[C@H](O)CN1C(=O)OC(C)(C)C 2268629729 AKFCXSUCWVYVMQ-GOEBONIOSA-N 466.409 2.376 30 10 JEEE Cn1cc([C@@H](NC(=O)OC(C)(C)C)C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)s2)cn1 2268647334 YSLYVVUMUKOHGG-CQSZACIVSA-N 463.369 2.380 30 10 JEEE CO[C@@H]1C[C@H](C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)N(C(=O)OC(C)(C)C)C1 2268657493 ILJNLFQDJOGXNI-ZIAGYGMSSA-N 467.397 2.083 30 10 JEEE CC(C)(C)OC(=O)N1CCC(N(CC(N)=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccn2)CC1 2280759673 UOIPAHIVAYKHLH-UHFFFAOYSA-N 460.384 2.072 30 10 JEEE Cn1ncc(C(=O)N2CCCCC23CN(C(=O)OC(C)(C)C)C3)c1B1OC(C)(C)C(C)(C)O1 2281830851 QUAMXSGOJNVIMZ-UHFFFAOYSA-N 460.384 2.335 30 10 JEEE C[C@H]1CCCN(C(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)[C@@H]1CNC(=O)OC(C)(C)C 2281981971 QLTZTYQOVNVOPQ-DOTOQJQBSA-N 462.400 2.485 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CCN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)CC[C@H]2C1 2281984673 HJGAVMNABGTBRN-HOTGVXAUSA-N 460.384 2.428 30 10 JEEE COC1(CNC(=O)c2nccc(C)c2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2281994591 RFGRJIBNJUIKJL-UHFFFAOYSA-N 461.368 2.055 30 10 JEEE CCN(C(=O)OC(C)(C)C)[C@H]1CCN(C(=O)c2c(C)nn(C)c2B2OC(C)(C)C(C)(C)O2)C1 2282004711 LGTTXOVGOFDHOZ-INIZCTEOSA-N 462.400 2.499 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)n1 2282036287 HCSWKPLJGDRRBK-MRXNPFEDSA-N 456.352 2.274 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N=[S@](C)(=O)CCCCNC(=O)OC(C)(C)C 2282045628 ZMFMWUWZHUMKTN-MGBGTMOVSA-N 484.428 2.262 30 10 JEEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1CCCCCN1C(=O)OC(C)(C)C 2282177256 YRIBHVPWGVYTLZ-OAHLLOKOSA-N 463.388 2.024 30 10 JEEE CN(CCCCCNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)Cc1ccccc1 2282351651 DJTAIFZLBYFEFB-UHFFFAOYSA-N 476.452 2.300 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)c(F)c2)CCO1 2282478024 XQNHYMSKUKKNAM-INIZCTEOSA-N 464.343 2.491 30 10 JEEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)N(C(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)C1 2282589780 SATQTGKHZKHSDX-HZPDHXFCSA-N 462.400 2.437 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@]1(CO)C(=O)NCc1ccccc1B1OC(C)(C)C(C)(C)O1 2283963294 ILKWZQPBINKLPZ-DEOSSOPVSA-N 460.380 2.364 30 10 JEEE CC1(C)OB(c2ccccc2S(=O)(=O)N[C@H](COCc2ccccc2)CC(=O)O)OC1(C)C 2284412318 USKNOOLINDVTJZ-SFHVURJKSA-N 475.372 2.324 30 10 JEEE CCCN(CCC)C(=O)CSc1nnc(CNC(C)=O)n1N=Cc1ccc(C(=O)O)cc1 2330778388 PVMWSQNJPXQPAY-UHFFFAOYSA-N 460.560 2.235 30 10 JEEE C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2scc(B3OC(C)(C)C(C)(C)O3)c2C1 2336496816 IPNQCAUAUNUQTF-CXAGYDPISA-N 466.409 2.206 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@]2(C(=O)Nc3ccc(B4OC(C)(C)C(C)(C)O4)cn3)CO[C@H]1C2 2359391077 HPBTTWQTBVAXBM-PBPSECFOSA-N 459.352 2.392 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]2C)n1C 2362337710 AJZQEEJSPBKGPL-LSDHHAIUSA-N 462.400 2.498 30 10 JEEE COc1cccc(/C=c2/s/c(=C(\C#N)C(=O)N3CCOCC3)n(-c3cccc(Cl)c3C)c2=O)c1 33528013 HEBKJERXSBHERZ-WAFZPUJNSA-N 495.988 2.231 30 10 JEEE O=C(CON=Cc1cccc([N+](=O)[O-])c1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 252457138 DFELQQIFHHBXEX-UHFFFAOYSA-N 466.903 2.132 30 10 JEEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Cc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 521724271 AFBSKODAWOBUTP-UHFFFAOYSA-N 489.550 2.382 30 10 JEEE CCOc1ccc(/C=C/C(=O)[C@@H]2C[C@@H](NC(=O)CNC(=O)c3ccccc3)CCN2)cc1OC 585828340 RQQHTUVSYXONPH-QPAUGHQASA-N 465.550 2.343 30 10 JEEE Cc1ccc(NC(=O)CSc2nnc(NN=Cc3cc([N+](=O)[O-])ccc3O)n2N)cc1C 1084174488 XZDUYZVJLUXDKR-UHFFFAOYSA-N 456.488 2.399 30 10 JEEE C#CCOc1ccccc1CNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(C(C)C)cc1 1136809882 HMUDDYFCCWFJMV-IRLDBZIGSA-N 456.564 2.262 30 10 JEEE CC#CC[C@@H](CO)NC(=O)[C@H](CCSC)NS(=O)(=O)c1ccc(Cl)c(Cl)c1 1144923183 OPIXQGCFWRRQDW-LRDDRELGSA-N 453.413 2.284 30 10 JEEE C#CCN(C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccccc1)[C@H]1CCS(=O)(=O)C1 1251359196 XGQIIRVNQVJMBA-KMDXXIMOSA-N 451.592 2.487 30 10 JEEE C=CCN1C(=O)C(=O)N(CC(=O)N2CC(C)(C)[C@@H]2C2CCN(Cc3ccccc3)CC2)C1=O 1273352170 KJMVJSCFUSNZCN-NRFANRHFSA-N 452.555 2.112 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@H]1CCCS(=O)(=O)C1 1286275756 TXRQLOYGDLJLNG-HZPDHXFCSA-N 462.572 2.254 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1(S(C)(=O)=O)CCCC1 1286289425 LGQILMUGMROAAC-QGZVFWFLSA-N 482.610 2.490 30 10 JEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(c2cc(OC)cc(OC)c2)CC1 1286344031 XXXUSCQQFVVOOH-SFHVURJKSA-N 490.630 2.036 30 10 JEEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(C)(C)SC)[C@@H]1CCS(=O)(=O)C1 1286380164 APALIWBHVJVLMB-QGZVFWFLSA-N 496.680 2.117 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H](Cc1ccccc1)OC)[C@H]1CCS(=O)(=O)C1 1286393522 LIONUHPUYIYTFZ-FSSWDIPSSA-N 472.611 2.057 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1CCCN1CCCO[C@H](C)C1 1286463965 PALMGWQTKQDSIN-LJQANCHMSA-N 455.559 2.261 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(N(C)C)cc1C 1286582124 RJGADBUASQBMHD-NRFANRHFSA-N 476.647 2.436 30 10 JEEE C=CCN(CC=C)c1nnc(-c2cc(OC)ccc2Br)n1C[C@]1(O)CCS(=O)(=O)C1 1286752902 MDXRBYGKMALPOO-HXUWFJFHSA-N 497.415 2.444 30 10 JEEE C=CCn1c(N2CCN(CC(=O)N(C)C3CCCCC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1286777747 LCWWKTNCQCQLJH-VWLOTQADSA-N 474.650 2.418 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@]2(CCC(=O)N2)C1 1286780507 WURMZIANDSBBTF-HXUWFJFHSA-N 477.338 2.008 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 1286788907 JVSUNMHNDLPTKP-GOSISDBHSA-N 494.987 2.470 30 10 JEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N(CC)Cc1nc(O)c2ccccc2n1 1286791397 YQJRGLKRAHBQRX-UHFFFAOYSA-N 475.557 2.117 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 1286820632 ONLXFNSPXFNMAL-FXAWDEMLSA-N 492.598 2.191 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCCOC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1300488196 BMTDUAHONUBOOV-SFHVURJKSA-N 462.572 2.059 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@]1(O)CCO[C@H]1C 1300578996 LLZZTWGWJCPWJS-SIBVEZHUSA-N 474.565 2.068 30 10 JEEE C#CCN1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@@H](F)COC)CC1 1300701043 ZWEVKEGWTLSOSM-LJQANCHMSA-N 464.586 2.132 30 10 JEEE C#CCN1CCN(c2nnc(CSc3ccccc3OC)n2CC2(O)CC(OCC)C2)CC1 1300709860 IYMMMXIPQRTNPF-UHFFFAOYSA-N 471.627 2.264 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1([S@@](C)=O)CC1 1300789249 CSNASBMHSYSAAH-ROTAYESASA-N 475.640 2.099 30 10 JEEE C=C(Br)Cn1c(N2CCO[C@@H](c3noc(C)n3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1300862634 BLHDPXVFKXZLGL-DNVCBOLYSA-N 483.367 2.497 30 10 JEEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(=O)c2ccccc2F)CC1 1300950726 NEVQXWOLZSEMCN-QGZVFWFLSA-N 461.563 2.248 30 10 JEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccc(C(=O)NCC)c2)CC1 1301105490 KFINZRBLMNRPNP-INIZCTEOSA-N 460.604 2.089 30 10 JEEE C=CCN(CCOC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1301414854 KFZYPZFPQZWJLI-HSZRJFAPSA-N 462.616 2.431 30 10 JEEE C=CCNC(=O)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CC[C@@H](C)[C@H](C)C1 1301510083 SQUVLAGCFYSXKS-FGZHOGPDSA-N 465.646 2.427 30 10 JEEE C=CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCNC(=O)[C@@H]1CC 1301611060 FASVIEFNTSQZOB-IRXDYDNUSA-N 480.635 2.221 30 10 JEEE C=CCSCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1301619904 ACUHESQPRVLDNH-UHFFFAOYSA-N 498.653 2.320 30 10 JEEE CO[C@@H](C)c1nc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@H](C(N)=O)C2)cs1 1315150015 GJTWEYNNCUODAV-HOCLYGCPSA-N 467.555 2.253 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)Nc3ccccn3)n2Cc2cnccc2OC)c1 1358900259 GTCVRLXXIVMNLX-UHFFFAOYSA-N 496.531 2.434 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2Cc2ncccc2N(C)C)c1 1358902618 UGZKZQJPKYJIJD-UHFFFAOYSA-N 469.553 2.244 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1cccc(C(C)(C)O)c1)[C@@H]1CCS(=O)(=O)C1 1358960817 MLTLLAICAKUQKR-HXUWFJFHSA-N 465.579 2.243 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1CC[C@H](C)N(C)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1358961370 XLURMDDMVFJOLY-RBBKRZOGSA-N 493.637 2.272 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CCc2ccccc21 1358979233 HFNBVJLBJUOOAR-AJTFRIOCSA-N 491.592 2.493 30 10 JEEE C#CCN(CC#CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCC(=O)N(C)C 1358993611 SCECJKDKHWCSQF-UHFFFAOYSA-N 456.591 2.334 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2ccc(Cl)cc2)CC1 1359044542 IPPRIIPIVZYYMW-IBGZPJMESA-N 454.962 2.091 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2Cc2nnc(C(C)(C)C)s2)CC1 1359046581 XSKNKVJUBOHBAR-UHFFFAOYSA-N 478.626 2.427 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1359090131 VHTPVHWOMQRYFJ-PXNSSMCTSA-N 485.589 2.093 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCS(=O)(=O)CC1 1359093556 PBXRVZBTTKJMQL-CJNGLKHVSA-N 470.393 2.252 30 10 JEEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(CC)Cc1nc(O)c2sccc2n1 1359143371 ZDJAUWKZWZMKSR-NSHDSACASA-N 471.996 2.378 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1359192844 PWSFZIANWVACHI-RTBURBONSA-N 467.636 2.363 30 10 JEEE C=CCCCCn1c(N2CCN3C(=O)N(CC)C(=O)[C@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1359206872 RYEBCRJOSGEEAA-JPYJTQIMSA-N 460.579 2.148 30 10 JEEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCS[C@H](CC)C1 1359293689 XHAMLFHRNHSGBF-MRXNPFEDSA-N 477.660 2.181 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](c2ccc(F)cc2)C1 1359306754 POEVJIXHLHYKQM-CUWPLCDZSA-N 459.522 2.021 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCNC(=O)C(C)(C)C 1360469529 DDLIPYXRSXRHKP-INIZCTEOSA-N 475.619 2.096 30 10 JEEE C#Cc1cccc(NC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c2ccccc2C(F)(F)F)c1 1440333928 HRPHGORWDZZXHT-MRXNPFEDSA-N 453.442 2.238 30 10 JEEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NC[C@@H]1CSCCN1Cc1ccccc1 1469772824 FPMRJNHXPIGOFV-AZUAARDMSA-N 451.600 2.186 30 10 JEEE CCCC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)N2CCOCC2)C1 1499877365 BQTXMZHDGXRQLJ-UGKGYDQZSA-N 465.602 2.423 30 10 JEEE C#CCCCCn1c(N2CCC(N3CCN(CC)C3=O)CC2)nnc1[C@@]1(OCC)CCOC1 1507573458 GLYYBMWHGOQANS-XMMPIXPASA-N 458.607 2.460 30 10 JEEE C#CCN(c1nnc([C@@H](C)OCCOC)n1Cc1ccc(C)cc1F)[C@H]1CCS(=O)(=O)C1 1507626316 NLYJNANLJYMVSB-MJGOQNOKSA-N 464.563 2.125 30 10 JEEE C#CCN(c1nnc(C2CC2)n1C[C@H](c1c(F)cccc1F)N(C)C)[C@@H]1CCS(=O)(=O)C1 1507631160 MOSSLXLMINMMGI-VQIMIIECSA-N 463.554 2.363 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCCOc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1507634550 YXSMMSGKJXNJLC-VQTJNVASSA-N 458.584 2.268 30 10 JEEE C#CCN(c1nnc(CCOc2ccccc2)n1Cc1nc(C)cs1)[C@@H]1CCS(=O)(=O)C1 1507640095 PHJJFBMEHKCVAG-GOSISDBHSA-N 471.608 2.340 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(NC(C)=O)nc1 1507653836 ROWLJYPNCOJGMG-FQEVSTJZSA-N 493.568 2.061 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@]1(C)CCCO1 1507710106 IRUMPHDGOHNQEQ-XMMPIXPASA-N 450.543 2.330 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2cnn(C)c2)n1 1507716074 GHXHVPRUAGCHLS-FGZHOGPDSA-N 480.617 2.461 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1cccc(OC)c1 1507820078 AGIVPMKTUKPKCA-SFHVURJKSA-N 461.588 2.021 30 10 JEEE C=CCCOCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1507966559 ZXJURERIIMOMDO-UHFFFAOYSA-N 489.646 2.492 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(CCOc2ccccc2)CC1 1508085466 GVWXUAHNFUOIAS-UHFFFAOYSA-N 461.570 2.152 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC2(S(C)(=O)=O)CC2)C1 1508125047 DAVSNQCJQCVLEE-FGTMMUONSA-N 495.646 2.407 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H](CC(N)=O)C1 1508134664 VCKIRUUYCUKZAM-OAHLLOKOSA-N 451.980 2.291 30 10 JEEE C[C@@]1(C#N)CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2nccc(C(F)F)n2)C1 1510289129 BVQQQVGRIZZBNJ-YJYMSZOUSA-N 451.503 2.086 30 10 JEEE CC[C@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CNC(C)=O)CC1 1513167610 ACGSGWLFZLZXBC-KRWDZBQOSA-N 451.575 2.474 30 10 JEEE CC[C@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1513168904 FVAOSIRADGZTIM-GHTZIAJQSA-N 462.558 2.223 30 10 JEEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1539078975 LFFQVAMFOOMUFK-MRXNPFEDSA-N 455.544 2.342 30 10 JEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1CCC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1539231787 YEXVAAQAGYYQRF-HXUWFJFHSA-N 472.611 2.004 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCC[C@H](O)C1 1539266647 RICJLVXDEHDDQK-UFYCRDLUSA-N 457.575 2.210 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)c1ccc(OC)cc1 1539368950 FOVXDDKKRXZIEG-FQEVSTJZSA-N 475.615 2.057 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccc(C)n2)n1CCC[C@@H]1NC(=O)NC1=O 1539389795 CLQOCBQUIABTBH-FQEVSTJZSA-N 461.501 2.416 30 10 JEEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2CC2CCN(C(=O)OC)CC2)CC1 1539454188 JEPQZVIHKZKOKN-UHFFFAOYSA-N 480.613 2.306 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2cccc(COC)c2)CC1 1539469923 VTZGZDVTILRYIE-MHZLTWQESA-N 495.624 2.479 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1539534029 KAYHLDIZENDEDH-NTKDMRAZSA-N 484.626 2.421 30 10 JEEE C=C(Cl)Cn1c(N2CC[C@H](N3CCN(C(C)C)CC3)C2)nnc1[C@@]1(OCC)CCOC1 1539821400 ZVVNTHUILWNYHZ-SIKLNZKXSA-N 453.031 2.287 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1540864045 NHGPOQKDOLTCDT-LSDHHAIUSA-N 463.380 2.211 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CCN(C[C@H]2CCCO2)CC1 1540866912 FIWRZDKPKDHAMQ-QGZVFWFLSA-N 489.418 2.311 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCN(Cc2cc(C)no2)CC1 1540904674 OLMULMHBQHXPOP-UHFFFAOYSA-N 488.589 2.227 30 10 JEEE CC(C)Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@H](C(C)C)N1CCOCC1 1541472322 FGSXSZDDGWXIEO-RBBKRZOGSA-N 481.649 2.210 30 10 JEEE CCn1cc([C@@H]2CN(c3nnc(COc4ccc(C#N)cc4)n3CC(C)(C)C(=O)NC)CCO2)cn1 1547609898 GOKAMTPJGUFDBD-NRFANRHFSA-N 492.584 2.295 30 10 JEEE CCOC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1547831294 COJVABYUSJYLNN-UHFFFAOYSA-N 495.628 2.288 30 10 JEEE COCC(=O)N1CCC2(CC1)C[C@H](C(=O)N(C)C)N(c1ccc(C#N)c(C(F)(F)F)c1)C2 1548381762 GUMPJDQGHHNOLD-GOSISDBHSA-N 452.477 2.499 30 10 JEEE C#CCCCn1c(-c2cccc(OC)c2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1587818518 YEYHJMBOBDDWDJ-UHFFFAOYSA-N 470.555 2.007 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(O)(CC)CC 1588647014 QKKRCLGTEFUHKM-GOSISDBHSA-N 465.595 2.224 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccnc(SC)c2)CC1 1588750782 FQJNCFLOBYUFHS-HSZRJFAPSA-N 456.616 2.239 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1589484495 UCSNIOMLVQSRNL-AQNXPRMDSA-N 467.636 2.014 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1589528495 GWTDXXMQSVDPPH-HKUYNNGSSA-N 456.595 2.290 30 10 JEEE C=CCC(C)(C)Cn1c(Cc2cccnc2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1594510909 DVDYUGHRBUIFLZ-UHFFFAOYSA-N 498.657 2.419 30 10 JEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1595405451 PQTNIPQGSMEWGA-FQEVSTJZSA-N 497.600 2.198 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccc3C)n2CCS(=O)(=O)N2CCSCC2)C1 1595737621 FFMKAABGTHEQFE-OAQYLSRUSA-N 491.683 2.337 30 10 JEEE C#CCN1CCC[C@@H](NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Br)C1 1595790224 JNKXDAFLCTZLCA-OAHLLOKOSA-N 454.390 2.061 30 10 JEEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)C[C@H]1CC 1595820849 AAWNPGDXPJOQCK-HZPDHXFCSA-N 451.618 2.495 30 10 JEEE Cc1nn(C)c(N2CCN(c3nnc(-c4ccccc4Cl)n3CC(=O)NC(C)C)CC2)c1C#N 1612469893 HOFLDRQCOBCATL-UHFFFAOYSA-N 481.992 2.363 30 10 JEEE CN(C)[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](C#N)C1)c1ccccc1Cl 1617642976 CBACLMOSBZGQRB-VQIMIIECSA-N 457.966 2.086 30 10 JEEE C=CCN(CC=C)[C@H](CNS(=O)(=O)c1cnn(C)c1I)C(C)C 1622032047 MECKURHVABZPRJ-CYBMUJFWSA-N 452.362 2.002 30 10 JEEE C=CCCn1cc(CN2CC[C@H]3[C@H](C2)NC(=O)N3C2CCN(C(=O)OC(C)(C)C)CC2)nn1 1665001245 ZXUJGRSTXQAJDW-PMACEKPBSA-N 459.595 2.222 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1Cc1cnn(CCOC)c1 1689848206 QLNCDQVKOWYDOD-GOSISDBHSA-N 474.569 2.414 30 10 JEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@H](SC)C1 1689892373 DHBZTEZHSQKDIP-ZWKOTPCHSA-N 455.650 2.136 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@@H](C)N(C)C1CC1)[C@@H]1CCS(=O)(=O)C1 1689983794 HSAZPJPQALLLFP-YLJYHZDGSA-N 457.600 2.063 30 10 JEEE C#CCN(c1nnc(-c2ccc(OCC)c(OC)c2)n1CCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1689984895 XQTOHHJDXCHJTH-HXUWFJFHSA-N 487.626 2.075 30 10 JEEE C#CCN(c1nnc(-c2ccccc2F)n1CC(=O)NC1CCCCC1)[C@H]1CCS(=O)(=O)C1 1689986009 GVSCHCYHWPGWJL-SFHVURJKSA-N 473.574 2.160 30 10 JEEE C#CCN(c1nnc(C2CC2)n1CCCN(C)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1689988607 SMTWYZYIHHYCTR-KRWDZBQOSA-N 451.593 2.039 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCN(C)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1689998379 KTXDDQSULVOOBO-QZTJIDSGSA-N 481.619 2.013 30 10 JEEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(OCCN(C)C)cc1 1690015197 DFNVAUNZVHZQCU-UHFFFAOYSA-N 460.538 2.067 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCN1CC=CCC1 1690043991 VNZUONUZJNNTKC-UHFFFAOYSA-N 455.566 2.400 30 10 JEEE C=CCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1690511307 WYLVCEMHGBFOCD-QHCPKHFHSA-N 452.515 2.352 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(C(N)=O)nc1 1690553881 LMQPHEDJYIZXBP-UHFFFAOYSA-N 475.553 2.258 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)N1CCOCC1 1690601878 DIOYHFUMIKCFSY-OAQYLSRUSA-N 452.603 2.470 30 10 JEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(Cc2ccccc2)C[C@@H]1C 1690674865 IKBUURQZJSSJMX-NRFANRHFSA-N 462.602 2.153 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H]2CCCOC2)nnc1N1CCCN(S(C)(=O)=O)CC1 1690683893 YKHZZFWLVVSMTF-FQEVSTJZSA-N 475.615 2.257 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H](C(=O)NC)C1 1690715382 KDPNFSOWOLRGEH-IAGOWNOFSA-N 479.578 2.120 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 1690722407 IDPVUVOLNBMXFH-LJQANCHMSA-N 475.537 2.414 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCC(c3ccnn3C)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1690732278 YICIAQYWEMFAJL-HSZRJFAPSA-N 492.646 2.037 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1cccc(N2CCCC2=O)c1 1692781606 GHBAEDBKPBSLMW-UZUQRXQVSA-N 485.614 2.193 30 10 JEEE CCN(CCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1)S(C)(=O)=O 1695738813 HEKDAAMCUWYAOS-HXUWFJFHSA-N 496.641 2.291 30 10 JEEE CCOC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)NC(C)C)C1 1696388226 DOYCERWNHWFSMI-IBGZPJMESA-N 460.604 2.397 30 10 JEEE Cn1cnnc1Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@](F)(C#N)C1 1696873391 FPFWIAANRKKUSL-BTYIYWSLSA-N 459.530 2.011 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccsc3)n2C[C@]2(O)CCOC2)c1 1705508516 XIWLFDHQLBLUIF-HSZRJFAPSA-N 451.552 2.138 30 10 JEEE C#CCCCCn1c(Cc2cccnc2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1705518710 PNDPNCKDZYWVJD-UHFFFAOYSA-N 460.586 2.447 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@@H]1CSCCS1)[C@@H]1CCS(=O)(=O)C1 1705569838 HKNAWSHMBVFFOP-RTBURBONSA-N 492.692 2.353 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](c1cccc(OC)c1)N(C)C 1705572599 HXBUSNQQUSXMNK-OAQYLSRUSA-N 457.538 2.310 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCCN2CCOCC2)CC1 1705643905 UEXOFZXFSCDFPO-FGZHOGPDSA-N 458.651 2.064 30 10 JEEE C#CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1705661835 JWAGGPNCXHPEES-QFBILLFUSA-N 462.597 2.170 30 10 JEEE C=C(Br)Cn1c(N2CC[C@]3(CCS(=O)(=O)C3)C2)nnc1[C@]1(OC(C)C)CCOC1 1705692281 FFLTZXOFFJXOHU-OALUTQOASA-N 489.436 2.242 30 10 JEEE C=C(C)Cn1c(COc2ccccc2OC)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1705729582 HCHICICFCZTHON-LJQANCHMSA-N 454.575 2.185 30 10 JEEE C=C1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CCNC(=O)C(C)C)CC1 1705764246 RYTQXJQEUCUQKY-UHFFFAOYSA-N 459.620 2.475 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cnn(C)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1705859529 BTQLVMBULRZAJR-FQEVSTJZSA-N 480.598 2.024 30 10 JEEE C=CCn1c(-c2ccccc2Br)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1705889019 BWPBRDFPSZGRSK-UHFFFAOYSA-N 461.364 2.067 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@H](O)CC2(CCCC2)C1 1705895951 XVJPLIDVOUXMGH-GOSISDBHSA-N 485.585 2.405 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1705906850 QSIRHYXMJRFQJE-UHFFFAOYSA-N 495.584 2.336 30 10 JEEE CCn1cccc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@@H](C(=O)OC)C2)c1=O 1710192197 AJCNXPBRFBCPMQ-HXUWFJFHSA-N 476.537 2.348 30 10 JEEE CCO[C@@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCCN2CCN(CC)CC2)CCOC1 1710465538 AKFPGNUZMQFLIJ-ZEQRLZLVSA-N 459.639 2.088 30 10 JEEE N#CC1CCN(c2nnc(C(=O)N3CCCC3)n2CCCS(=O)(=O)c2ccccc2)CC1 1712881758 IBIANXCETHIBFD-UHFFFAOYSA-N 456.572 2.118 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2CCN2CCSCC2)c1 1722310729 ZSGBSJLKDQQLIO-FQEVSTJZSA-N 468.627 2.277 30 10 JEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 1722332099 CVLUSTSYHJMDGV-FQEVSTJZSA-N 461.632 2.069 30 10 JEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@](C)(O)c1cc(C)oc1C 1722346050 LPZNUTGIIIQZPT-HSZRJFAPSA-N 471.583 2.382 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1Cc1ccc(N(C)C)nc1)[C@H]1CCS(=O)(=O)C1 1722364764 JHJPKNZUQLHFOQ-FQEVSTJZSA-N 482.585 2.144 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CC1(N(C)C)CCCCC1)[C@H]1CCS(=O)(=O)C1 1722369382 YNEGEFOGXLEZNS-VQTJNVASSA-N 463.648 2.411 30 10 JEEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCCN1c1cc(NC)ncn1 1722401182 OLDWHMSBOWMBTM-OAQYLSRUSA-N 472.601 2.103 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC2(O)CC(OCC)C2)CC1 1722433044 JMFWUWQBCUFARW-UHFFFAOYSA-N 461.513 2.232 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CC[C@@](C)(CC)O2)CC1 1722441564 SMGKIJBRVFAWGF-KBMIEXCESA-N 479.585 2.239 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CCCN2CCCO[C@@H](C)C2)CC1 1722446168 PVDOZJWQCNCMJK-NRFANRHFSA-N 479.629 2.115 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1722502173 RMUVTXXOEJHWER-ZDXQCDESSA-N 476.666 2.027 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)C[C@@H](C)C(=O)NC 1722507705 IWTABAVJTGJQFA-GIVPXCGWSA-N 482.633 2.252 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1722511098 YOFWWHHDHKDEEZ-NCYKPQTJSA-N 482.647 2.183 30 10 JEEE C=CC1CCN(c2nnc(CNC(=O)c3cccs3)n2CCS(=O)(=O)CC2CC2)CC1 1722580220 ZDRZNPUAAPNQME-UHFFFAOYSA-N 463.629 2.497 30 10 JEEE C=CCCOCCn1c(-c2cccc(C)n2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1722625178 OXBJHTFQUVPALQ-NRFANRHFSA-N 467.618 2.374 30 10 JEEE C=CCN(CCc1ccco1)c1nnc(CN2CCCC2=O)n1Cc1ccc(C)n(C)c1=O 1722673725 BURNWXNUCPDCCF-UHFFFAOYSA-N 450.543 2.284 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N(C)CC1CN(C(=O)OCc2ccccc2)C1 1722701912 AMXCZNGNLDSCKG-HXUWFJFHSA-N 468.558 2.137 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2OCC)nnc1N1CCC2(CCN(C)C2=O)CC1 1722706388 QJDZNJFWBDHCCM-UHFFFAOYSA-N 482.585 2.007 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCCS(=O)(=O)C2)C1 1722714293 KEMTYAHWXKDUDW-APWZRJJASA-N 461.544 2.459 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1722726759 CKVAHHJTFXWBEH-UHFFFAOYSA-N 475.615 2.136 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CC[C@H](C3CCOCC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1722732048 UCESRPKAJQHKCK-NZQKXSOJSA-N 482.647 2.172 30 10 JEEE CNC(=O)[C@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C(C)C)N2CCOCC2)C1 1729647441 FOZGETJEPYGDJI-BKMJKUGQSA-N 495.628 2.048 30 10 JEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](c2ccccc2)C1 1740573326 BBQXTNTUEMOGJT-SFTDATJTSA-N 457.600 2.408 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCC[C@H]1C 1740676808 MVMWINNWZJUUHI-QUCCMNQESA-N 459.591 2.443 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)c2cccc(F)c2)CC1 1740706123 PXFDOBMIYZNMCC-FQEVSTJZSA-N 466.561 2.312 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(C)CCCO1 1740934739 PITHFMNWMKNGNC-QPPBQGQZSA-N 489.642 2.415 30 10 JEEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(=O)N(CC)CC)CC1 1740961321 UDNSLEXWTDKDCS-UHFFFAOYSA-N 475.544 2.033 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1740992628 SDRFTJYFSMPKPM-LJQANCHMSA-N 464.636 2.186 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@H]2C[C@H]1CO2 1740992931 VYUHLEAUYPOLTI-OALUTQOASA-N 495.646 2.361 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCC(Cl)=C(Cl)C2)nnc1[C@]1(OCC)CCOC1 1740994205 OHWZJGYJWCHRQO-SFHVURJKSA-N 465.403 2.430 30 10 JEEE CC[C@H](C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC(C)(C)N1CCOCC1 1743743315 CMBKFGCCNZMQHB-IBGZPJMESA-N 452.607 2.496 30 10 JEEE CCc1ccc(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@@H](C)CC#N)cc1 1744356235 DVLBSVGWOBRJQU-PXNSSMCTSA-N 460.604 2.154 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ccccc1CN(CC)CC)[C@H]1CCS(=O)(=O)C1 1748811765 LANOUZLCUPYCOL-QFIPXVFZSA-N 493.637 2.252 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1Cc1cccnc1OC)[C@@H]1CCS(=O)(=O)C1 1748819191 MBMUOGPGKDQNAZ-GOSISDBHSA-N 457.581 2.009 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ccc(F)cn1 1748882056 KSWNEDCDFMFETQ-UHFFFAOYSA-N 466.542 2.241 30 10 JEEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1CCS(=O)(=O)c1ccccc1 1748896454 AWLKBYGOXSKOBV-UHFFFAOYSA-N 472.574 2.453 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1749019679 DDGILXHOGDSQLG-HSZRJFAPSA-N 452.584 2.373 30 10 JEEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(C(=O)NC)CC1 1749022859 IEBAMHVMNSHBPL-UHFFFAOYSA-N 451.394 2.365 30 10 JEEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN(Cc2c(CC)nn(C)c2Cl)CC1 1749032898 UDSWUJWWQKQBRD-UHFFFAOYSA-N 486.049 2.373 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H]1CN(CC)c2ccccc2O1 1749037863 HDPYFYDOTLBDKV-RTBURBONSA-N 489.667 2.270 30 10 JEEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1749039369 STQDZYLZKBAMFV-LEWJYISDSA-N 474.675 2.062 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1749655415 KFSHEKLEECOGDP-QGZVFWFLSA-N 456.547 2.359 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1CCC1 1749691120 ZBJWLDCFORJETQ-OAQYLSRUSA-N 475.615 2.460 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(Cc2cc(C)on2)CC1 1749724129 HWZDJTQZMKRFJI-UHFFFAOYSA-N 481.582 2.036 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN(c2ccccc2F)CC1 1749729818 SRNSSGWARZUFDZ-UHFFFAOYSA-N 456.547 2.407 30 10 JEEE CC(=O)NC[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCN(C(C)=O)C2)C1 1749994337 HVYOITPYHLAACH-PKTZIBPZSA-N 493.612 2.340 30 10 JEEE C#CCCCn1c(COc2ccc(F)cc2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1760158721 RHDQNVQNXKTAMG-UHFFFAOYSA-N 454.550 2.154 30 10 JEEE C#CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1CCNS(=O)(=O)CC 1760167491 RLSMKQYRBGWEKS-UHFFFAOYSA-N 460.785 2.370 30 10 JEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CCc1ccn(C)n1)[C@@H]1CCS(=O)(=O)C1 1760181067 PCONXQTVDNFJNQ-LJQANCHMSA-N 458.975 2.201 30 10 JEEE C#CCN(c1nnc(-c2ccccc2F)n1CCN1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1760183621 CGPKQSOXVJLYBH-LJQANCHMSA-N 459.591 2.443 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1Cc1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1760186345 MJVSPAJXSRBTGG-INIZCTEOSA-N 475.521 2.427 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CCN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1760191380 GIVPHODCHIOADQ-FQEVSTJZSA-N 475.590 2.109 30 10 JEEE C#CCN(c1nnc(CCCc2ccccc2)n1C[C@@H]1CCCN(C(C)=O)C1)[C@@H]1CCS(=O)(=O)C1 1760192711 XBNNGWICGNEVLD-DNQXCXABSA-N 497.665 2.339 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cccc(C)c2)n1 1760251506 BMGQCZYBNIYLFS-OAQYLSRUSA-N 482.610 2.020 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2CCN2CCC[C@H](C)C2)CC1 1760264468 PLVMHQVFLPDFBF-NRFANRHFSA-N 452.603 2.353 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C)n2C[C@@H](c2ccccc2OC)N2CCCC2)CC1 1760266416 YAYNIAHJXSGCKX-QFIPXVFZSA-N 450.587 2.398 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1760342985 SHFTUUBIEGKXOO-UHFFFAOYSA-N 498.657 2.217 30 10 JEEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1Nc1cnn([C@@H]2CC2(F)F)c1 1760526148 FZECTXLAMKLSIW-CQSZACIVSA-N 462.486 2.092 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(C2CCC(C)CC2)CC1 1760555401 FHZIZZUZPTUNDG-NYLDSWQDSA-N 465.664 2.474 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCN(c2ccccc2C)CC1 1760557098 ZZMAVHWVDVWJRJ-UHFFFAOYSA-N 466.611 2.500 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCO[C@](C)(c3ccccc3)C2)nnc1[C@@]1(OCC)CCOC1 1760558191 IQZWGWLWIKQODV-BJKOFHAPSA-N 490.626 2.283 30 10 JEEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CC1(N2CCCC2)CCOCC1 1761444254 DTWPAOMNQAOJIU-IBGZPJMESA-N 486.642 2.331 30 10 JEEE C[C@H]1CN(CCCn2c(COc3ccc(C#N)cc3)nnc2N2CCCOCC2)C[C@H](C)O1 1763207475 DQQDMKXEZIXEQW-PMACEKPBSA-N 454.575 2.455 30 10 JEEE CCN1CCN(C[C@@H](C)Cn2c(Cc3ccccc3F)nnc2N2CCO[C@H](C#N)C2)CC1 1765556636 DUHUJNUONXWUHM-TZIWHRDSSA-N 455.582 2.010 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)C[C@@H]1CCOC1 1772567149 KFYVNMHRISJUDK-ZWKOTPCHSA-N 462.595 2.168 30 10 JEEE O=C(ON1C(=O)c2ccccc2C1=O)[C@@H]1[C@H]2[C@H]3C=C[C@@H]([C@@H]4C(=O)N(Cc5ccccc5)C(=O)[C@H]43)[C@H]21 1772789208 BNZROLRRLQHSEZ-PQWGXEMDSA-N 468.465 2.220 30 10 JEEE C=CCN(CC=C)C(=O)[C@@H](CC)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 1862250828 CHCYOCRUGYACHG-LJQANCHMSA-N 469.991 2.070 30 10 JEEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1ccccc1[N+](=O)[O-] 1862630537 WGAFSBCFWHPLFP-LJQANCHMSA-N 453.407 2.038 30 10 JEEE COc1ccc(C(=O)N[C@@H](CCSC)C(=O)Nc2cccc(C#N)c2)cc1S(C)(=O)=O 1866896459 XBRYBAGKWADYCJ-KRWDZBQOSA-N 461.565 2.461 30 10 JEEE CCOC(=O)c1ccc(N2C[C@@H](C(=O)Nc3c(C#N)nnn3-c3ccc(F)cc3)CC2=O)cc1 1870150507 DYLCQQYIEKFZTO-HNNXBMFYSA-N 462.441 2.446 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)N(CC)CC)cn1CCCN1CCCC1=O 1870629326 PVJYKBZZWTWRMP-UHFFFAOYSA-N 458.603 2.282 30 10 JEEE CCOC(=O)c1sc([C@H](C#N)C(=O)CN2CCN(Cc3ccc4c(c3)OCO4)CC2)nc1C 1872797825 WHDFLIGGLWXPQQ-QGZVFWFLSA-N 470.551 2.351 30 10 JEEE CCCNC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1cccc(OC)c1O 1874338302 PJVQSCKXOKDNQH-PZLKWIMZSA-N 474.587 2.217 30 10 JEEE C=CCn1c(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc2c(NC[C@@H](C)O)ncnc21 1875228777 DKPAFZDHEMHRKF-QGZVFWFLSA-N 478.553 2.097 30 10 JEEE CC(C)N1C(=O)CS[C@H](C(=O)NCC2CCN(C(=O)N(C)C)CC2)[C@H]1c1ccc(C#N)cc1 1890799075 LYNYWKKRBQPQCU-YADHBBJMSA-N 471.627 2.462 30 10 JEEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cncc(C#N)c2)CCN1C(=O)OC(C)(C)C 1965794737 ZSJWWEUPYWNOLQ-UHFFFAOYSA-N 467.548 2.347 30 10 JEEE CC[C@H](CNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2255800567 UMMXZKSSJDOGDX-CYBMUJFWSA-N 475.442 2.165 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H]1CNS(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2255933236 LXQDDGORDLSJNJ-HNNXBMFYSA-N 452.382 2.274 30 10 JEEE C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1cc(B2OC(C)(C)C(C)(C)O2)cs1 2256629745 YOPJBGLMORWPQZ-CJNGLKHVSA-N 454.398 2.280 30 10 JEEE CCO[C@@H]1C[C@H](NC(=O)OC(C)(C)C)[C@@H]1NC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2266989790 JHAFHXHRFBUYTQ-LZWOXQAQSA-N 467.397 2.243 30 10 JEEE COc1ccc(S(=O)(=O)NC[C@@H](C)NC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2267466094 VFLBLVTXTIRPCG-CQSZACIVSA-N 470.397 2.186 30 10 JEEE CCc1nn(C)c(C(=O)NC[C@@H](C)CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267507707 SOXDHGPWVBGDHN-CQSZACIVSA-N 450.389 2.172 30 10 JEEE C[C@H](NC(=O)C1(CO)CN(C(=O)OC(C)(C)C)C1)c1cscc1B1OC(C)(C)C(C)(C)O1 2268637930 GMOKWTJKKUUWQG-AWEZNQCLSA-N 466.409 2.454 30 10 JEEE CC(C)(C)OC(=O)N1CC(O)(CC(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)c2F)C1 2268657029 DIMSXVQJSVXEIC-UHFFFAOYSA-N 450.316 2.435 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](Cc1cccs1)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2268720469 WFJLLDGQPYDYNW-ZDUSSCGKSA-N 480.421 2.395 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@H]1CNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2281790567 KQSLWDCYKJVFQQ-MRXNPFEDSA-N 464.343 2.491 30 10 JEEE Cn1cc(C(=O)N[C@H]2C[C@H](NC(=O)OC(C)(C)C)C23CCC3)c(B2OC(C)(C)C(C)(C)O2)n1 2281967498 YFPLZNKFNXYXHG-HOTGVXAUSA-N 460.384 2.285 30 10 JEEE Cn1cc(C(=O)NC[C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)c(B2OC(C)(C)C(C)(C)O2)n1 2281981827 PMGBIAADOCMMQH-MRXNPFEDSA-N 462.400 2.486 30 10 JEEE Cc1nn(C)c(C(=O)NC2CC3(C2)CN(C(=O)OC(C)(C)C)C3)c1B1OC(C)(C)C(C)(C)O1 2281988974 TYDRDQFDUQUKAH-UHFFFAOYSA-N 460.384 2.157 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@H]1CN(CCO)C(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2282012663 YWGCISSQHOJMND-HNNXBMFYSA-N 481.424 2.276 30 10 JEEE CCn1cc(C(=O)N2C[C@@H]3C[C@H]3[C@H]2CNC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2282035911 BHDOHBQYZOZZQQ-ZMSDIMECSA-N 460.384 2.187 30 10 JEEE Cc1cccc(C(=O)NC2(C(=O)O)CN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2282108412 XWKQNENIHAWFOF-UHFFFAOYSA-N 460.336 2.098 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](CNC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)CO1 2282171132 GHIVBRFLNPOGSO-HZPDHXFCSA-N 461.368 2.040 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1[C@H]2C[C@H]2CN1S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282498602 GYRUDVJCWCFEMR-OFQRWUPVSA-N 499.464 2.117 30 10 JEEE COc1ccc(S(=O)(=O)N2CC(CNC(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2282504910 WAHDOLHJFNIMOV-UHFFFAOYSA-N 482.408 2.140 30 10 JEEE Cn1cc(C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C(F)(F)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2282578568 TVCSFEXMJYANMY-CQSZACIVSA-N 470.326 2.094 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CCOC[C@H]2OCc2ccccc2)n1 2282593303 OUPZKJXPYLQMFL-WOJBJXKFSA-N 455.364 2.306 30 10 JEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(O)cc1O 2282966306 DUYUXRZUTXAKAW-BBRMVZONSA-N 462.352 2.382 30 10 JEEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)C2 2283061137 PGPMRSBRZQAJMJ-MUJYYYPQSA-N 458.368 2.436 30 10 JEEE COC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)(C)C)C2)n1N=Cc1ccccc1C(=O)O 2327876233 IEFOQYFPQMWCCW-AWEZNQCLSA-N 459.528 2.238 30 10 JEEE COc1cc(Br)cc(C=Nn2c(SCC(N)=O)nnc2-c2ccco2)c1O 2331190057 ATNYRVZVTUBFRI-UHFFFAOYSA-N 452.290 2.474 30 10 JEEE Cn1cnc(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 2362355007 FZSPRLFAFKWLNS-OWCLPIDISA-N 460.384 2.095 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)C(C)(C)C1 2362465426 QURKXVQUXBFSRS-OAHLLOKOSA-N 462.400 2.485 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](C(=O)N2CC[C@@H](B3OC(C)(C)C(C)(C)O3)C2)S(=O)(=O)C(C)(C)C1 2368345463 JFVUDNQXQYCMHK-CVEARBPZSA-N 486.440 2.494 30 10 JEEE Cc1ccsc1/C=c1\s/c(=C(/C#N)C(=O)N2CCOCC2)n(-c2c(C)cccc2C)c1=O 3248805 YZFKDEXUJMIFLX-ZAILDJOHSA-N 465.600 2.248 30 10 JEEE CCN(C)C(=O)[C@@H](C)Sc1n[nH]c(N/N=C/c2ccc(OC)c(OCn3cccn3)c2)n1 59817935 FFLUOHGTKCRGPO-STCDJXRXSA-N 458.548 2.451 30 10 JEEE Cc1nn(CCO)c(C)c1C=NNc1nc(SCCC(=O)Nc2ccc([N+](=O)[O-])cc2)n[nH]1 1083924058 OHKSJSJADLJPSZ-UHFFFAOYSA-N 473.519 2.085 30 10 JEEE N#Cc1cc(F)cc(C2(C(=O)NCc3ccccc3CS(=O)(=O)N3CCOCC3)CC2)c1 1125075035 DLCNMKCOJUVABC-UHFFFAOYSA-N 457.527 2.207 30 10 JEEE C#CCN1CCC[C@H](NC(=O)N2CCC(N3[C@H]4CC[C@H]3CN(C(=O)OC(C)(C)C)C4)CC2)C1 1248681058 ATIRBGMFLHFCJJ-BVSLBCMMSA-N 459.635 2.342 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CC3)n2C[C@H]2CCCS(=O)(=O)C2)c1 1286312731 ZDXOINVCEIGNPM-LJQANCHMSA-N 455.584 2.112 30 10 JEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H](C)c1ccc([S@](C)=O)cc1 1286338138 GYBZGMPJMCRVIC-LXLLPEIISA-N 451.618 2.237 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1Cc1cc(OC)c(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1286383618 DMEZAJBNEUKVJT-AEFFLSMTSA-N 476.599 2.492 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H](C1CCCCC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1286387675 TXQIZJJRMSXBMR-IRLDBZIGSA-N 470.643 2.477 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1C[C@@H](F)COC)[C@H]1CCS(=O)(=O)C1 1286394032 GIFNHMHPLZHMCS-MOPGFXCFSA-N 464.563 2.085 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCN1CCOC[C@H]1C 1286418614 MQYJJXXMGQTPCP-LJQANCHMSA-N 467.570 2.155 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(N2CCOCC2)c1 1286419123 NKQXNWYXEAPNAO-UHFFFAOYSA-N 469.549 2.273 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCC=CO1 1286420492 HVJODZOHEDWBMH-HXUWFJFHSA-N 453.568 2.351 30 10 JEEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(=O)N(C)Cc1ccccc1 1286442474 AVEWJKWFAPQJNJ-UHFFFAOYSA-N 479.610 2.356 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2csc3ccccc23)CC1 1286471040 GKCNGIHCIUTQCF-QGZVFWFLSA-N 472.640 2.101 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H]2CC=CCO2)CC1 1286485439 LSPHEZZQPJCKID-ZCNNSNEGSA-N 456.591 2.149 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCn2cccn2)CC1 1286486678 HJQRITWFWIELDY-UHFFFAOYSA-N 462.514 2.106 30 10 JEEE C=C(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1286588768 JIVOAZVCPVSTDS-UHFFFAOYSA-N 450.551 2.127 30 10 JEEE C=CCn1c(-c2ccc(F)cc2Br)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1286771722 KBCLJZRVAGRIFE-UHFFFAOYSA-N 493.381 2.014 30 10 JEEE C=CCOc1ccccc1Cn1c(N(C)[C@H]2CCS(=O)(=O)C2)nnc1[C@]1(OCC)CCOC1 1286798765 OCJOKWRYFLVMTC-CVDCTZTESA-N 476.599 2.167 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1286821324 HMAYDRNOUJSFKF-IBGZPJMESA-N 499.641 2.353 30 10 JEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCc2ccccc2)CC1 1286831683 IVGFJZPAIGLDDI-OAQYLSRUSA-N 475.684 2.464 30 10 JEEE CC(C)Cc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@H]1CN(CC(C)C)CCO1 1287468518 FJIVXLJAGYOQKR-JOCHJYFZSA-N 466.634 2.427 30 10 JEEE CCOc1cc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)ccc1OC 1296712701 CSLANUNOMTXYIG-OAHLLOKOSA-N 462.576 2.084 30 10 JEEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@H](C)CN1CCN(CC)CC1 1300321299 KJPDKUOYHVGJLA-MOPGFXCFSA-N 457.648 2.001 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@H](c2ccco2)N(C)C)c1 1300332199 ZUXUEXZWVCCHKG-OAQYLSRUSA-N 489.580 2.466 30 10 JEEE C#CCCCn1c(N2CCN(c3nc(CC)ns3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1300425834 YOAFZIVNIYYASW-QFIPXVFZSA-N 459.620 2.473 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccc(NC(=O)N(C)C)cc1)[C@H]1CCS(=O)(=O)C1 1300479575 PQVWEWCDNHHZES-IBGZPJMESA-N 472.615 2.344 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1CCn1cc(C)cn1)[C@@H]1CCS(=O)(=O)C1 1300484545 TWWWFRFLWVEGHX-GOSISDBHSA-N 490.536 2.378 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@@](C)(O)CCC)[C@H]1CCS(=O)(=O)C1 1300489423 NUSDBUMLGGNYKQ-SBUREZEXSA-N 476.599 2.140 30 10 JEEE C#CCN(c1nnc(COCC)n1Cc1ccc2c(c1)[C@H](C)[C@@H](C)O2)[C@H]1CCS(=O)(=O)C1 1300503776 FLZQFTSYEQMHGD-LMMKCTJWSA-N 458.584 2.374 30 10 JEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1(O)CCCCC1 1300513489 WUTDBWZTKKGZSU-UHFFFAOYSA-N 454.600 2.315 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2[nH]c(C)c(C)c2c1 1300579380 UMLFLTGITRRJQQ-QHCPKHFHSA-N 494.621 2.220 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1csc(COC)n1 1300606797 VDWXGMAQLMLBLT-UHFFFAOYSA-N 474.612 2.306 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(F)ccc2Br)n1CC(=O)NCC=C 1300657039 DUAQJQJGQABVCW-UHFFFAOYSA-N 450.312 2.235 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnn(C)c3)n2C[C@]2(O)CCCC2(C)C)n1 1300680977 IJVGOYDTZQJQIZ-XMMPIXPASA-N 466.590 2.103 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2(SC)CCC2)CC1 1300689539 YESHSGCYBCYQAP-UHFFFAOYSA-N 459.641 2.390 30 10 JEEE C#CCN1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC2=CCCOC2)CC1 1300700953 YZISAXDRVWDERN-UHFFFAOYSA-N 470.618 2.495 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(F)c(F)c2)CC1 1300707757 IUQNVHOBZCHEFT-UHFFFAOYSA-N 456.522 2.351 30 10 JEEE C=C(C)COCCn1c(-c2cnccn2)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 1300984262 ZSXLLIPGVSSXDA-INIZCTEOSA-N 457.560 2.173 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(Cc2ccccc2C)CC1 1301588876 KYAAUHYJSNXMGW-JOCHJYFZSA-N 473.643 2.404 30 10 JEEE CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCCCC2)CC1 1305643020 GCISUIIJEVOXTG-OAQYLSRUSA-N 478.645 2.339 30 10 JEEE CCOC(=O)N[C@@H](CC(C)C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C)C(=O)C1 1314027293 DSWLICJBGLWWMP-IBGZPJMESA-N 453.547 2.256 30 10 JEEE CN(C)C(=O)CC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1314627757 ALXDMLJAFFJOGY-FQEVSTJZSA-N 484.626 2.336 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1c(C)nn(C)c1C 1316089283 CNQZLOJJQXSYNC-NRFANRHFSA-N 497.625 2.104 30 10 JEEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCc2cccc(C)n2)CC1=O 1316125087 FOPQUIQCTWQFPA-UHFFFAOYSA-N 459.554 2.448 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2C[C@H]2CCCN2CCCO)c1 1358901368 IVRQKTIECYSZEF-OAQYLSRUSA-N 461.570 2.176 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CCN(C)Cc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1358964916 KAJDGYVLNHOHLJ-HSZRJFAPSA-N 496.612 2.162 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCc1nnc2n1CCCCC2 1359003362 ILLQKNQENCCYTR-UHFFFAOYSA-N 467.599 2.369 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3OCC)n2CCN2CCC[C@@H]2C)CC1 1359039694 RXGVGEPBCYHQHH-NRFANRHFSA-N 452.603 2.495 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(OC)cc2OC)CC1 1359048296 LGDWRYBPGZTZRA-REWPJTCUSA-N 497.596 2.033 30 10 JEEE C=C(Cl)Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1359154286 KNFRFFZHNPJZPD-KKSFZXQISA-N 475.041 2.271 30 10 JEEE Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1NC(=O)N(CCC#N)CCN1CCOCC1 1465277660 GRKQCMVXEJDGFF-UHFFFAOYSA-N 451.593 2.104 30 10 JEEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@H]1CCCN1C(=O)/C=C\c1ccc(C(N)=O)cc1 1467932483 MRTLWGWJSFIENB-ZKUBTYIGSA-N 451.523 2.480 30 10 JEEE C=C(CCC(=O)OC)C(=O)N1CCC(c2n[nH]c(CNC(=O)OCc3ccccc3)n2)CC1 1470361036 OFZNTGIEZADXOA-UHFFFAOYSA-N 455.515 2.447 30 10 JEEE CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCO2)CC1 1496306868 IFTMAKRKBGTHJK-GHTZIAJQSA-N 451.575 2.032 30 10 JEEE CCN(CC)C(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCCO2)CC1 1501779966 DBQYAQNUEIKQDG-JOCHJYFZSA-N 465.602 2.376 30 10 JEEE CNS(=O)(=O)c1cccc(Cn2c(-c3ccccn3)nnc2N2CCC[C@@](C)(C#N)C2)c1 1503828106 FNGFFKVZBNFPSW-QFIPXVFZSA-N 451.556 2.427 30 10 JEEE C#CCCCn1c(Cc2ccccc2OC)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1507590270 APDBXCRRDLSAGW-UHFFFAOYSA-N 477.569 2.348 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCSC1(C)C)[C@H]1CCS(=O)(=O)C1 1507638150 DRQRTHSVIFDMJS-OALUTQOASA-N 476.672 2.298 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1CC1([S@@](C)=O)CCC1)[C@H]1CCS(=O)(=O)C1 1507641217 ZQRQBUXMLBZUKQ-PSTIOWGYSA-N 490.651 2.093 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)c1ccc(F)cc1 1507689835 NETKRXFMBJTJKF-IBGZPJMESA-N 463.579 2.187 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CC(=O)NC2CCCCC2)CC1 1507740213 QDTLOPOHDGBOFT-UHFFFAOYSA-N 483.642 2.049 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(C(=O)NCCOC)CC1 1507804434 GASGZYOBGSLFJK-JTHBVZDNSA-N 485.633 2.100 30 10 JEEE C=CCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1507939628 PGSPIPBQRIRZMR-UHFFFAOYSA-N 474.512 2.440 30 10 JEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(=O)c2ccc(F)cc2)CC1 1508058781 FDOZRNZMJSHWEA-LJQANCHMSA-N 477.562 2.035 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1508077669 PWUWRBWFNCTERV-UHFFFAOYSA-N 474.631 2.060 30 10 JEEE C=CCOc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CCCN(C(C)=O)CC2)cc1 1508105322 QHRGCLABAJQRTR-UHFFFAOYSA-N 452.559 2.072 30 10 JEEE C[C@@H](N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC(F)F)CC1)C(F)(F)F 1510141840 HOZYKSKLWOENLX-CYBMUJFWSA-N 471.434 2.271 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@H](C)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1539201515 AHMJDJDXYFSXDN-HZPDHXFCSA-N 453.609 2.116 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1539365620 ONMZEPKJKLQLKP-LQTLECTNSA-N 497.600 2.379 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H]2CCCCN2CC)CC1 1539468239 CDGWVAAEPPBIRB-ATIYNZHBSA-N 486.661 2.159 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CC2CCN(C(C)=O)CC2)CC1 1539469594 CXQQNFWLIDCPJH-UHFFFAOYSA-N 452.559 2.071 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3CC)n2C[C@@H]2CCOC[C@H]2OC)CC1 1539489184 RQOPOAIVUKYILA-LADGPHEKSA-N 495.624 2.437 30 10 JEEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 1539518077 VIXCVSUJNCQLCG-IBGZPJMESA-N 486.617 2.438 30 10 JEEE C=C(Br)Cn1c(COc2ccccc2OC)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1539608195 WAJSNXQLPLCHPG-HUUCEWRRSA-N 462.348 2.489 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(N2CCN(C)C(=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1539643896 YDZTTZORDAYHGG-FTEYMNFISA-N 474.606 2.308 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)n(C)c1=O 1540129438 USBZQZODWJVELX-QFIPXVFZSA-N 492.605 2.300 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1540866160 FAHSGXBHHQXNFG-UHFFFAOYSA-N 486.983 2.486 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccccc1Cl 1541115742 DVGQFUYXZGMSDG-QAPCUYQASA-N 466.995 2.103 30 10 JEEE Cn1cc(C(=O)N2CC3(CCN(c4ccc(C#N)c(C(F)(F)F)c4)CC3)C[C@H]2C(N)=O)cn1 1548379346 AHXHMQCRWBISGO-SFHVURJKSA-N 460.460 2.297 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCSc1ccc(C)cc1 1587638430 DVBVRAHIKWKEKH-MJGOQNOKSA-N 463.629 2.170 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc2ccccc2s1 1588384729 AEHQBBNRXOUUGP-GOSISDBHSA-N 459.597 2.334 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(C)n2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1588628160 FIGMPOZYCYVDJE-PMACEKPBSA-N 466.565 2.081 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3noc4c3COCC4)n2CCCCSC)CC1 1588923871 ONNNHZJOPYTSQI-UHFFFAOYSA-N 458.588 2.115 30 10 JEEE C#CCSCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCN2C(=O)NC[C@H]2C1 1589036913 QMVSIEPJGCLAGV-HNNXBMFYSA-N 491.415 2.296 30 10 JEEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1589047980 PGYPQKYAHZVJDT-UHFFFAOYSA-N 453.572 2.217 30 10 JEEE C#CCSCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1589060193 OJFQVXNHIJFVPR-MSOLQXFVSA-N 497.687 2.382 30 10 JEEE C=C(C)COCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCc2nn(C)c(=O)cc2C1 1593696385 OUTHFGDRXYDSSB-UHFFFAOYSA-N 477.569 2.396 30 10 JEEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C(=O)NCC)CC1 1593704710 YWYDQYVJYFBGSW-UHFFFAOYSA-N 466.384 2.480 30 10 JEEE C=CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC2(CC1)COC(=O)N2)c1ccccc1 1594536353 XECALMSYAXTESC-PKOBYXMFSA-N 488.614 2.327 30 10 JEEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1594733840 YTECMTJKBLWTHV-INIZCTEOSA-N 452.650 2.150 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1595516997 MJBSAHYVQIIOFK-ROUUACIJSA-N 476.375 2.394 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1C[C@@H](C)N(C)C1CC1 1609508689 DYLDDBZSHZPRRX-DYESRHJHSA-N 451.575 2.349 30 10 JEEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)N2CCSCC2)C[C@H]1C 1612916694 FISIJYSYPQJYIY-IAGOWNOFSA-N 460.629 2.288 30 10 JEEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CN(CC(C)C)CCO2)CCO1 1619736695 HBIXQLSVHDYWIV-YADHBBJMSA-N 454.575 2.025 30 10 JEEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NCC2(CO)COC2)c1 1636853242 ZQMFIPXZXGXIGM-UHFFFAOYSA-N 450.944 2.460 30 10 JEEE C#CCCCn1c(COc2ccc(F)cc2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1689938806 WUWZMSGUYMHBQR-UHFFFAOYSA-N 488.545 2.050 30 10 JEEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCN1CCCO[C@@H](C)C1 1690072867 XGZJNBUKAVCHMG-IBGZPJMESA-N 473.647 2.199 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@H](OCC)c2ccccc2)CC1 1690142621 RNIRLWPDCPCIHG-QFIPXVFZSA-N 459.554 2.479 30 10 JEEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1690170580 NHZWBEJONKLZSZ-QZTJIDSGSA-N 465.627 2.477 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1C[C@@H]1C[C@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1690187924 AEFZJDYVYDEAQR-WSZYKNRRSA-N 486.617 2.433 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC[S@](=O)CC 1690196082 XLZMGOIWPCVGEQ-ROTAYESASA-N 462.645 2.307 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCNS(=O)(=O)Cc1ccon1 1690216813 UPTSIHJZMSMOIB-DNVFCKCGSA-N 490.630 2.296 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(NC(=O)CCC)CC1 1690236615 PBUASAGDGRKILP-GHTZIAJQSA-N 458.607 2.380 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCOC2)nnc1N1CCC(C(=O)NCCOC)CC1 1690244992 BIYUENUZLDKRSS-ACRUOGEOSA-N 461.607 2.132 30 10 JEEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCN1CCCO[C@H](C)C1 1690523468 BCJPCXNYKGRRKM-GOSISDBHSA-N 451.575 2.315 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCCOC)C1 1690699936 LNLHUYBBCCCJMS-MSOLQXFVSA-N 451.568 2.404 30 10 JEEE CCc1noc([C@@H](C)N2CCN(c3nnc(-c4cccc(C#N)c4)n3CC(C)(C)C(=O)NC)CC2)n1 1694767765 APMFKQUHDHFPSJ-QGZVFWFLSA-N 491.600 2.418 30 10 JEEE CCNC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(CC)CCOCC2)CC1 1695937658 HFJOAMBPSDBKPG-UHFFFAOYSA-N 495.628 2.194 30 10 JEEE CN1CCC[C@H]1C(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[S@](=O)C(C)(C)C)CC1 1696880656 ANURXQLPKFVGPM-PBTUJPDXSA-N 497.669 2.107 30 10 JEEE COc1ccccc1[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](C#N)C1)OC(C)C 1697545922 HANQHMXHIPLSHP-YLJYHZDGSA-N 456.547 2.320 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(C3CC3)CC2)c1 1705503807 FFZAXXIXYZWKIE-MRXNPFEDSA-N 470.599 2.135 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccsc2)c1 1705507333 YIRSVVNRTYOJAW-SFHVURJKSA-N 469.592 2.346 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccccc1OC)N1CCCC1 1705612487 HQHRTVVZFVPBEB-PZJWPPBQSA-N 471.627 2.485 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCC3(CCCCC3)O2)CC1 1705644390 OZKKRVMUEDCEOG-HXUWFJFHSA-N 470.618 2.264 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCc2ccccc2C)CC1 1705644756 AZYGUVZPBLVVKC-AREMUKBSSA-N 465.598 2.447 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCCC(=O)N(C)C)CC1 1705645068 KJSOYCMWFLJZQY-SFHVURJKSA-N 484.576 2.391 30 10 JEEE C#CCSCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CC(=O)N(C)[C@@H](C)C1 1705659364 TWDZPXOKTJAIAK-KRWDZBQOSA-N 479.610 2.269 30 10 JEEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C)(c2nc(C)no2)CC1 1705680575 CJSDVUDWTGJDKK-LBPRGKRZSA-N 488.412 2.046 30 10 JEEE C=CCN(c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(S(C)(=O)=O)CC1)C1CC1 1705854046 HSFBFEDJJIPOMR-QGZVFWFLSA-N 481.619 2.319 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc(Cc2cccnc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1705878012 HOAWMJOIGUHYJS-DEOSSOPVSA-N 467.595 2.049 30 10 JEEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(=O)c2cccc(Cl)c2)CC1 1705887070 LJWATGNOWXTDJE-OAHLLOKOSA-N 466.995 2.080 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1705895382 DYUFEKSZQGTZBY-HNNXBMFYSA-N 492.422 2.041 30 10 JEEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H](NC(=O)CCC)C1 1705904982 FCWRDZZFHXXYCY-INIZCTEOSA-N 460.529 2.334 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C)C1 1705913664 UPTBVTPDXRIPRR-YLJYHZDGSA-N 461.588 2.070 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCN(C)CC(F)(F)F 1722295434 KGFARVJPDDVQTE-INIZCTEOSA-N 450.513 2.404 30 10 JEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CC1(CS(C)(=O)=O)CC1)[C@H]1CCS(=O)(=O)C1 1722359048 ICGQZVJENDDKHR-SFHVURJKSA-N 497.042 2.050 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2Cc2nc(C)c(C)s2)CC1 1722433968 JOEGZUGMQNTPGG-UHFFFAOYSA-N 499.666 2.072 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCc2csc(C)n2)CC1 1722448880 BSDRKSSMNHABIH-UHFFFAOYSA-N 466.615 2.113 30 10 JEEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1722524158 QPMLXDWLQPOUSR-LEWJYISDSA-N 489.665 2.379 30 10 JEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1722527368 HOAKBDAOSCPJFG-UHFFFAOYSA-N 462.492 2.129 30 10 JEEE C=C(Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C(C)C)C1)c1ccccc1 1722539930 DROZMCCJHNDDLB-LEWJYISDSA-N 475.615 2.186 30 10 JEEE C=CCN(CCOC)c1nnc(-c2cnn(C)c2)n1C[C@@H]1C[C@@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1722678151 UNUBSDXORKQULQ-HOJAQTOUSA-N 487.605 2.342 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC2(CCN(C)C2=O)CC1 1722690018 CWURPUKRQNQZEX-KRWDZBQOSA-N 470.549 2.308 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc(Br)cc1 1722863018 GPUVPLQCKFKDHP-ZIAGYGMSSA-N 469.409 2.489 30 10 JEEE CN(C)[C@@]1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)CCSC1 1729326050 DKAHZFAMQZSBPU-DENIHFKCSA-N 474.656 2.267 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1([S@@](C)=O)CCC1 1740539300 SOXKWVQMACVUCC-LHEBDHONSA-N 462.645 2.306 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1(CS(C)(=O)=O)CC1 1740561891 GPWXTEXQVGOPIY-YESZJQIVSA-N 465.620 2.332 30 10 JEEE C#CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1740709723 QLHIAKNWHKJCSX-SFHVURJKSA-N 496.058 2.241 30 10 JEEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1740711568 QCGNWZXBHJSHFI-GOSISDBHSA-N 465.377 2.433 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(=O)c2cccs2)CC1 1740782077 AVANVRJAJZSFIP-KRWDZBQOSA-N 479.628 2.348 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1740963995 DQAVRXBVJWHKLJ-UUOWRZLLSA-N 455.559 2.106 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1740973647 BBYGTHGHYMQMPY-WMZOPIPTSA-N 492.598 2.187 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCSCC1 1740990132 JLXUTXXHUGJWBS-UHFFFAOYSA-N 488.639 2.390 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](C[C@@H]2CCOC2)C1 1740991932 IREOQTFYTFPHQB-SLFFLAALSA-N 452.621 2.416 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1740994838 UXKUCZUWORJYMN-VXKWHMMOSA-N 490.626 2.459 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2C[C@@H](C)CN2CCN(CC)CC2)c1 1748692744 NASKHYQPMNDWIL-JTHBVZDNSA-N 493.656 2.112 30 10 JEEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H]1CN(Cc2ccccc2)CCCO1 1748830499 XKRBRDZITKQGAK-SHQCIBLASA-N 477.609 2.294 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(Cl)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1748950126 FFOKHBFFHOXNMS-GOSISDBHSA-N 451.980 2.109 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2cccc(OC)c2OC)CC1 1748994683 MVJJUMVYVCSJCO-UHFFFAOYSA-N 480.594 2.090 30 10 JEEE C#CCSCCn1c(N2CCO[C@H]([C@H]3CCCO3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1749049202 FSLVFYNOSGJCCO-XQBPLPMBSA-N 450.605 2.069 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1CC1CCS(=O)(=O)CC1 1749056485 ZWJHOXMLYFUXSP-YADHBBJMSA-N 450.605 2.136 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1749123196 BYQWTYVPOUUOIP-ICSRJNTNSA-N 461.588 2.017 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC(C)C)C(C)C 1749131716 VACCECWHVKCYIG-ZCNNSNEGSA-N 469.652 2.463 30 10 JEEE C=CCCOCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@H](C(=O)OC)C1 1749458067 XHHGEANCNSFXAG-FQEVSTJZSA-N 469.590 2.434 30 10 JEEE C=CCN(C)c1nnc(CNC(=O)c2cccs2)n1CC1(NC(=O)OC(C)(C)C)COC1 1749499706 KERRXVHHWWQZTH-UHFFFAOYSA-N 462.576 2.186 30 10 JEEE C=CCOc1ccccc1Cn1c(N2CCN(C(=O)NCC)CC2)nnc1[C@@]1(OCC)CCOC1 1749690612 ZIZDVQNLUXDPHR-RUZDIDTESA-N 484.601 2.395 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1749736859 QUVMMSOWKQMKEN-QHCPKHFHSA-N 478.590 2.383 30 10 JEEE Cc1ccc(S(=O)(=O)NCCn2c(-c3cccn3C)nnc2N2CC[C@@](F)(C#N)C2)s1 1751580455 CTYJEEHJMFHJAK-LJQANCHMSA-N 463.564 2.074 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CC12CCC(CC1)C2)[C@@H]1CCS(=O)(=O)C1 1760183867 USNFZIIALVTCRY-ZUZNIGHFSA-N 461.632 2.404 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1CCc1ccc(SC)cc1)[C@@H]1CCS(=O)(=O)C1 1760188077 HGMYFUDCCCMIHB-GOSISDBHSA-N 468.608 2.326 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1ccccc1COC)[C@@H]1CCS(=O)(=O)C1 1760188344 KCOZIIAWKMVBCK-OAQYLSRUSA-N 465.579 2.470 30 10 JEEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1Cc1cnn(C)c1C)[C@H]1CCS(=O)(=O)C1 1760191622 KUZISTJKPZNTOL-IBGZPJMESA-N 489.001 2.227 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H](CC)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1760192085 QGKXBMJYQWWRJJ-FGZHOGPDSA-N 496.637 2.230 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1CC(C)(C)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1760193268 XJKIUSHDWNJTQI-IAGOWNOFSA-N 481.619 2.060 30 10 JEEE C#CCN1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2C[C@@](C)(O)[C@@H](C)CC)CC1 1760254554 AWWAGUGZPRAXBD-MHECFPHRSA-N 487.674 2.099 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2CCCN2CCN(CC)CC2)CC1 1760270110 KPNDEQBLRBWIHN-UHFFFAOYSA-N 495.647 2.001 30 10 JEEE C=C(C)COCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1760353207 KEHUCSKGZCJBRG-UHFFFAOYSA-N 484.557 2.076 30 10 JEEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC([C@H]2CCOC2)CC1 1760427805 ISZFIFMZZVPVLN-VQTJNVASSA-N 467.636 2.220 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1760552413 MTPSUALYVAIWBS-IERDGZPVSA-N 450.536 2.069 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCOc2ccccc2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1760557303 HGIBQJIJKLYYJQ-HYBUGGRVSA-N 490.626 2.275 30 10 JEEE C=CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1760564638 DETONYZJVXWXDI-SFHVURJKSA-N 475.619 2.496 30 10 JEEE CCCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCCN(c2ccccc2C#N)CC1 1766258595 FHTAJRYBFNEUQX-UHFFFAOYSA-N 458.570 2.378 30 10 JEEE COCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1769184914 GTEBNDBXYRKMIH-KRWDZBQOSA-N 490.605 2.190 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1772660029 JDSXQYCKZMYJPW-DYVFJYSZSA-N 483.953 2.273 30 10 JEEE C=CCOc1ccccc1[C@@H]1C(C(=O)NCCN2CCOCC2)=C(N)Oc2c1c(CCC)nn2C 1864320216 NGGOOQWLKOHMAJ-NRFANRHFSA-N 481.597 2.080 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CC[C@H]1NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2247952429 NJILLJIAALDMMA-QWHCGFSZSA-N 458.411 2.381 30 10 JEEE C[C@H](O)CN(CCNC(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2255655365 LJCIBIJZDXGHMW-AWEZNQCLSA-N 454.398 2.395 30 10 JEEE CC(C)(C)OC(=O)NOCCCNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2255754100 YZBGNPOBUSYGAD-UHFFFAOYSA-N 456.370 2.111 30 10 JEEE C=C(CS(=O)(=O)NC[C@H]1CO[C@H](CNC(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2255795191 TWWXEJYIEWGRJM-HOTGVXAUSA-N 460.402 2.023 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)[C@@H](O)C1 2255876321 BSIZGRQSMDBXDN-KBPBESRZSA-N 452.382 2.147 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2255880125 ZWKOSQCJAXMTNP-KGLIPLIRSA-N 452.382 2.005 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2ccc(Cl)c(B3OC(C)(C)C(C)(C)O3)c2)[C@H](O)C1 2266981135 GQPWEMWWLIDCSO-DLBZAZTESA-N 466.771 2.349 30 10 JEEE CCN(C[C@H](C)NC(=O)OC(C)(C)C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nn(C)c1C 2267139614 IYYUNZNTVVFSKL-AWEZNQCLSA-N 450.389 2.403 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CC(F)(F)C1 2267141735 YQFJYEXAEPOMQT-LBPRGKRZSA-N 456.299 2.083 30 10 JEEE C[C@H]1C[C@@H](NC(=O)C(F)(F)F)CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2267410093 DYLQTTVWMPODLS-NWDGAFQWSA-N 482.355 2.125 30 10 JEEE C[C@H]1CN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2267474031 NXQREPSWOWQHJV-AWEZNQCLSA-N 487.453 2.213 30 10 JEEE Cc1nc(C(=O)N2CCC[C@@H](CNC(=O)C(F)(F)F)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2267481600 RDJWZVXINGWZID-LBPRGKRZSA-N 461.315 2.281 30 10 JEEE CC(C)CN(CCNC(=O)OC(C)(C)C)C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2267504247 PVSGRVLDRXAQFF-UHFFFAOYSA-N 450.389 2.342 30 10 JEEE CO[C@H]1C[C@@H](C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)N(C(=O)OC(C)(C)C)C1 2268636905 ILJNLFQDJOGXNI-KBPBESRZSA-N 467.397 2.083 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(CCNC(=O)OC(C)(C)C)C[C@H](C)O 2269840252 TWQRKRRASUZWCZ-ZDUSSCGKSA-N 469.413 2.098 30 10 JEEE Cn1nc(C(=O)N2C[C@H](NC(=O)OC(C)(C)C)C3(CCC3)C2)cc1B1OC(C)(C)C(C)(C)O1 2281961080 IKHDSYVJBDRIFQ-INIZCTEOSA-N 460.384 2.239 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@]2(F)CCC[C@]2(NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2281991087 WDTIATZIDZKNKB-VXKWHMMOSA-N 464.347 2.320 30 10 JEEE Cc1nc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2CO)c(B2OC(C)(C)C(C)(C)O2)s1 2282016856 COZNXKLRSXXWSV-CABCVRRESA-N 481.424 2.098 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)n1 2282035081 QDYLYJOGODKDLE-HSZRJFAPSA-N 460.384 2.192 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1C[C@](F)(CNC(=O)OC(C)(C)C)C1 2282059941 PNSVPOQPSXXCSC-XLOAEROZSA-N 466.363 2.327 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1CN(S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1)C2 2282493900 WDWAYKPQCYNUIV-GJZGRUSLSA-N 499.464 2.213 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@]1(F)CCCN(C(=O)OC(C)(C)C)C1 2282536798 HPNWNOUUBFHIOQ-QFIPXVFZSA-N 466.363 2.188 30 10 JEEE Cc1nn(C)c(C(=O)N2C[C@H](C)[C@H](CNC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2282556483 IWBOZBCOJCSPDU-GOEBONIOSA-N 462.400 2.261 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H](F)C[C@@H]1CNC(=O)OC(C)(C)C 2282589499 OOMXWVLNZNFHHS-HUUCEWRRSA-N 466.363 2.105 30 10 JEEE CC(C)(C)OC(=O)NCC1CCN(S(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CC1 2282830497 VFVNGTCHUBJSQQ-UHFFFAOYSA-N 481.424 2.306 30 10 JEEE CC(C)(C)OC(=O)N=c1[nH][nH]cc1CNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282840172 DNAAJDZKCRGEAC-UHFFFAOYSA-N 498.436 2.159 30 10 JEEE CN(Cc1ccccc1B1OC(C)(C)C(C)(C)O1)C(=O)[C@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C 2283948938 TXFZWSVMUHQXKY-IEBWSBKVSA-N 460.380 2.315 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1COC[C@H]1C(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)ccc1F 2284026321 BUGACLBXYIRJTJ-AEFFLSMTSA-N 464.343 2.281 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2OCC[C@]2(C(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)C1 2296391683 JYLBMPNWVXCMQW-HJPURHCSSA-N 459.352 2.345 30 10 JEEE CCOC(=O)NC(=O)C(=CNc1ccc(NC=C(C(C)=O)C(=O)NC(=O)OCC)cc1)C(C)=O 2297454733 GMCRWAROBDQQBC-UHFFFAOYSA-N 474.470 2.002 30 10 JEEE CO[C@@H](CNC(=O)OC(C)(C)C)CNC(=O)c1c(C)nsc1B1OC(C)(C)C(C)(C)O1 2317603723 SOBRVYPXOHKKFC-CYBMUJFWSA-N 455.386 2.020 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CCS(C)(=O)=O)C(=O)N1CC[C@H](B2OC(C)(C)C(C)(C)O2)C1 2319672301 QXJYTJGEIJQFSX-LSDHHAIUSA-N 460.402 2.009 30 10 JEEE CCOc1ccccc1OCc1nnc(SCC(N)=O)n1N=Cc1cc(OC)c(O)c(OC)c1 2326821049 GEOXCDDXWCRFNP-UHFFFAOYSA-N 487.538 2.438 30 10 JEEE CON(C(=O)c1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1O)C1CN(C(=O)OC(C)(C)C)C1 2364877961 PPQVSSWOQCCTFQ-UHFFFAOYSA-N 466.315 2.453 30 10 JEEE COc1cc([C@H]2/C(=C(/O)c3ccncc3)C(=O)C(=O)N2CCCN(C)C)cc(OC)c1OC 102497862 IZCBLOXLAIIALO-LCPUNJGISA-N 455.511 2.481 30 10 JEEE CC[C@H](CCNS(=O)(=O)c1ccc(F)c(C#N)c1)NS(=O)(=O)c1ccc(F)c(C#N)c1 488885948 NSHQXUGNJGVQTD-OAHLLOKOSA-N 468.507 2.134 30 10 JEEE C=CCNC(=O)CN1CCN(C(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)CC1 512714565 UTIKMHFTQHXCJR-KRWDZBQOSA-N 467.397 2.292 30 10 JEEE CCCC(C)=NNc1nc(SCC(=O)Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)n[nH]1 1084373207 RIJUUDCDOKQJNX-UHFFFAOYSA-N 494.647 2.060 30 10 JEEE COc1ccc(CCNC(=O)CSc2n[nH]c(NN=Cc3cccc(OC)c3O)n2)cc1 1084464367 QFYWUMLTEDDYCU-UHFFFAOYSA-N 456.528 2.425 30 10 JEEE C=CCN(C(=O)[C@H]1OCC(=O)N(C)[C@@H]1c1cccnc1)[C@H](Cc1ccccc1)C(=O)OCC 1128111302 KNNCQORCUFLPCM-MZYLBHOOSA-N 451.523 2.169 30 10 JEEE CN(C)[C@H](CNC(=O)CNS(=O)(=O)c1cccc(C#N)c1)c1cccc(C(F)(F)F)c1 1161197623 CGAPBUBNXSEUQG-GOSISDBHSA-N 454.474 2.274 30 10 JEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCc3ccc(-c4cnco4)cc3)CC2)cc1 1251421098 BXCPAHWUTPQQLO-UHFFFAOYSA-N 451.508 2.429 30 10 JEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H](C)c1ccc([S@@](C)=O)cc1 1286338140 GYBZGMPJMCRVIC-ZSIWHHEXSA-N 451.618 2.237 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@](C)(O)c1cccs1)[C@H]1CCS(=O)(=O)C1 1286383289 LYDNJYJAKOZXQF-WMZHIEFXSA-N 481.603 2.413 30 10 JEEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCN(C)C(C)(C)C1 1286447744 NGTFSQMYQAWZEV-HXUWFJFHSA-N 489.665 2.072 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(CCCc2ccccc2)n1CC1(O)CCS(=O)(=O)CC1 1286527426 AYFVRHGSDKDAAJ-HSZRJFAPSA-N 456.612 2.385 30 10 JEEE C=CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1286680926 NVMBETJFTCECMI-OYRHEFFESA-N 473.666 2.399 30 10 JEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)cc1F)C1CC1 1286738133 QUXSUTUFCFYXST-GOSISDBHSA-N 453.515 2.092 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCC(=O)N1CCOCC1 1286760147 KIAODYPORLVXAH-KDURUIRLSA-N 474.606 2.476 30 10 JEEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](COCCOC)C1 1286776151 GDHDWZRKQSZVCD-ZWKOTPCHSA-N 451.568 2.262 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN(Cc2csc(C(C)(C)C)n2)CC1 1286787378 FGXRZYFKQONEAK-KRWDZBQOSA-N 473.647 2.160 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCN(C(=O)NCC)CC1 1286791791 CSEYHMGSOHSUHU-UHFFFAOYSA-N 483.617 2.308 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3ccccn3)n2Cc2ccccc2S(=O)(=O)N(C)C)C1 1286806267 ZLMNCNDPKDZODG-IBGZPJMESA-N 468.583 2.420 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 1286818675 MGSKCXJEGAAEJM-INIZCTEOSA-N 477.612 2.475 30 10 JEEE CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](c2ccnn2C)C1 1294912163 IDQBWIPQZWCFFQ-LJQANCHMSA-N 462.558 2.372 30 10 JEEE CCN1CCN(CCCn2c(COc3ccc(C#N)cc3)nnc2N2CCSCC2)CC1 1296210486 GGGWGWBBTJUBGS-UHFFFAOYSA-N 455.632 2.310 30 10 JEEE C=CCN1CC[C@@H](N(C)C(=O)CC[C@@H]2NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)C1=O 1297062532 QRDYJHKLHZJKGA-JKSUJKDBSA-N 453.326 2.444 30 10 JEEE CCS(=O)(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCOC2=O)CC1 1297638618 BNQBJFZGJIKMIN-UHFFFAOYSA-N 472.571 2.063 30 10 JEEE CNC(=O)[C@@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)CN2CCCC2)C1 1299032490 HFRABELMESLNMR-DFBJGRDBSA-N 465.602 2.423 30 10 JEEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1CCCn1cccn1)[C@H]1CCS(=O)(=O)C1 1300504490 NYGZBBZCENKDNI-NRFANRHFSA-N 482.610 2.387 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@](O)(c2ccccc2)C(F)(F)F)CC1 1300727459 YFLDBWUPVOWMFL-WZONZLPQSA-N 491.514 2.198 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCCCC2)nc1 1300780540 SKVFAUZUDUTUIN-FDDCHVKYSA-N 471.631 2.314 30 10 JEEE C=C(C)COCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCNC(=O)CC1 1300992410 YTOHSIDFXWSXLL-UHFFFAOYSA-N 465.558 2.155 30 10 JEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C)cc2N2CCOCC2)CC1 1301105681 LSHAJCWLCPETLR-LJQANCHMSA-N 488.658 2.484 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc(-c2cnccn2)n1CCS(=O)(=O)N1CCSCC1 1301346432 CDKAOQWQIQZOQA-UHFFFAOYSA-N 485.639 2.306 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1CCS(=O)(=O)CC1 1301363708 YUBAIFCNKDZCTD-QGZVFWFLSA-N 484.669 2.259 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1301506985 SQYLMQOHCMLGQW-GOSISDBHSA-N 453.522 2.461 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N(C)Cc1cccc(C#N)c1 1301585209 IKWCVQRTEIZJPL-UHFFFAOYSA-N 468.539 2.115 30 10 JEEE C#CCN(CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)Cc1ccccc1 1307752829 KKZNBNMXIDGAMP-UHFFFAOYSA-N 451.592 2.144 30 10 JEEE C#CCCCCn1c([C@H]2CCCOC2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1358912691 WOPXYXHWURBGNE-FQEVSTJZSA-N 453.591 2.356 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1cc(C2CC2)ccc1F)[C@@H]1CCS(=O)(=O)C1 1358955425 LREPJSLDTFYIQN-LJQANCHMSA-N 473.574 2.108 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1CN(C(=O)OC(C)(C)C)C1 1358971759 IBNSKEOVIMRODG-UHFFFAOYSA-N 483.594 2.288 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)CC1 1359039675 RCBSUXRHSFYAEZ-MDNUFGMLSA-N 496.631 2.435 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCC[C@@H]2CCCCO2)CC1 1359046870 JATSXDDPMLRAJF-QFIPXVFZSA-N 467.618 2.455 30 10 JEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 1359060259 PEJMWJAKVXXHCZ-LJQANCHMSA-N 459.538 2.297 30 10 JEEE C=C(Br)Cn1c(Cc2cccnc2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1359085293 ILMRSJQHLRIYFK-JXFKEZNVSA-N 488.434 2.161 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1nc(C(F)(F)F)cs1 1359121905 NRKIIEFVMAJHEH-GFCCVEGCSA-N 480.538 2.299 30 10 JEEE C=C(Cl)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1359141425 GUOYLWQVSLWZHP-QGZVFWFLSA-N 483.964 2.432 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1359192785 ODVFSZRGHGLXRA-UNMCSNQZSA-N 474.650 2.349 30 10 JEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1359302726 RKDIAQFVTZXRMI-UHFFFAOYSA-N 456.494 2.284 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCCN(C(=O)c2ccccc2)CC1 1359334254 YJHVEUADHFGETF-UHFFFAOYSA-N 494.621 2.217 30 10 JEEE C=CCSCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCNC(=O)CC1 1359341248 QEZCAEFVIXSOOY-UHFFFAOYSA-N 467.599 2.311 30 10 JEEE C=CCn1c(S)nc2cc(C(=O)N3CCCc4c(OCC(N)=O)cccc43)ccc2c1=O 1449947593 IOIZKYDYWORERQ-UHFFFAOYSA-N 450.520 2.328 30 10 JEEE C#C[C@H](NC(=O)N1CCN(CCS(=O)(=O)c2ccc(Br)cc2)CC1)C(C)C 1478758535 IHXYSJKCRPFMJZ-SFHVURJKSA-N 456.406 2.208 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1CCCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1507624831 FDUIMVZWXYPZFA-HXUWFJFHSA-N 487.626 2.075 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCC1(OC)CCC1)[C@@H]1CCS(=O)(=O)C1 1507628191 GXFKKMAAGMKYSF-HXUWFJFHSA-N 453.568 2.403 30 10 JEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1cnc(C)s1 1507642561 WXAIJAIQKSAISD-UHFFFAOYSA-N 453.597 2.433 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2OC)n1CCN/C(O)=C1/N=CC=CC1=O 1507644826 PRHCEFYLSHMNLV-XDOYNYLZSA-N 464.913 2.206 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1507657280 UXMWTGLKDRGTKS-SFHVURJKSA-N 450.543 2.190 30 10 JEEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1ccnc(OC(F)F)c1 1507684582 DRRMLAKEDMRMBS-UHFFFAOYSA-N 451.441 2.425 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2CCCN2C[C@H](C)O[C@@H](C)C2)CC1 1507724078 GCVYXYCUBCHPBD-GOTSBHOMSA-N 450.631 2.432 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2CC2(C(=O)NCC)CCC2)CC1 1507740691 PEUAADJCXVUXPG-UHFFFAOYSA-N 492.624 2.438 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[C@@](C)(O)c2ccccc2)CC1 1507903115 QZFDIPDAEPVHMW-ZJSXRUAMSA-N 489.642 2.311 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2ccc(C)cc2)C(=O)C1 1508076111 ZSBIHBCVRCBSGC-UHFFFAOYSA-N 465.945 2.457 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1508106100 UURXWEXJRINSFD-AZUAARDMSA-N 475.615 2.161 30 10 JEEE C=CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCn2nc(C)nc2C1 1508151526 XPQSWHLPNLMZCV-UHFFFAOYSA-N 488.643 2.035 30 10 JEEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCNS(C)(=O)=O 1517107200 GXQUPMLZDPXURN-RTBURBONSA-N 460.604 2.254 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ccc(OC)nc1 1538983963 ZMPSESMUBVBLET-INIZCTEOSA-N 454.556 2.105 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC1CCC(C(F)(F)F)CC1)[C@H]1CCS(=O)(=O)C1 1539201296 ZUIVSOGADIRJFC-JCYILVPMSA-N 489.564 2.412 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC)[C@@H]1CCS(=O)(=O)C1 1539220050 HKMRXHCQZGRRAU-QZTJIDSGSA-N 465.620 2.429 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCN2C[C@H](C)C[C@@H](C)C2)CC1 1539428444 RMIHYLBJOJROSQ-NHCUHLMSSA-N 464.618 2.049 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(OCCN(C)C)cc1 1539557528 WFXHQKSWKRRNEJ-SQJMNOBHSA-N 485.654 2.355 30 10 JEEE C=CC1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCCn2cc(CO)nn2)CC1 1539871251 IRAVDJRGTQWRBV-UHFFFAOYSA-N 484.992 2.438 30 10 JEEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCn1cc(Br)cn1)C1CC1 1540110040 YFJAZUMCTRSFAD-AWEZNQCLSA-N 469.409 2.384 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCCCO2)n1C[C@@]1(O)CCS(=O)(=O)C1 1540120188 PJODACBSWIBAGV-OFNKIYASSA-N 476.599 2.271 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CCC2(CCN(C)C2=O)CC1 1540863966 KXGZHWZUOWHFSJ-UHFFFAOYSA-N 487.402 2.459 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1540865072 USYOETFMACTOLM-KRWDZBQOSA-N 483.541 2.252 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(F)cc2Br)nnc1N1C[C@H](C)O[C@@H](COC)C1 1540866559 RPWYNVKHNJNBEE-DZGCQCFKSA-N 482.354 2.389 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 1540873353 VZNYFDQCXJQFPB-WMZHIEFXSA-N 482.658 2.485 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N(C)C[C@H]1CCCCO1 1540903819 HGZPHUXRAHXSAK-LJQANCHMSA-N 458.588 2.123 30 10 JEEE CC(=O)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCCCS(C)(=O)=O)CC1 1540961913 DOSZLYAWIGNQKU-UHFFFAOYSA-N 458.588 2.090 30 10 JEEE CCOCC(=O)N1CCC([C@@H]2CN(c3ccc(C#N)c(C(F)(F)F)c3)C[C@H]2C(N)=O)CC1 1548397026 DLDQQLGTILSEFX-ZWKOTPCHSA-N 452.477 2.390 30 10 JEEE CN1CCN(C(=O)C2CCN(C(=O)Nc3ccn(-c4ccc(C#N)cc4Cl)n3)CC2)CC1 1562533112 DSFVFTPUBITOIX-UHFFFAOYSA-N 455.950 2.415 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H]2C[C@H](C)S(=O)(=O)c3sccc32)ccc1F 1570051218 AUZXLWPEWVYHEC-NHYWBVRUSA-N 458.558 2.389 30 10 JEEE COc1cccc(-c2noc([C@@H](C)NC(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)n2)c1 1587255657 DQHGWTJSPBSXAM-CYBMUJFWSA-N 455.496 2.051 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(NC(=O)NC(C)C)cc1 1587639727 MSUTXGRHBBLFHW-AEFFLSMTSA-N 458.588 2.216 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCN(C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1588049821 LOPAGBXDWPMMLS-QFIPXVFZSA-N 478.622 2.407 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H](C)Oc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1588050901 XMLULQVGQGNPOF-OALUTQOASA-N 466.567 2.138 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H]1CCSC1(C)C)[C@@H]1CCS(=O)(=O)C1 1588064303 FWFXDIWIPMEGMI-RBUKOAKNSA-N 459.641 2.422 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1ccnc(OC(F)F)c1 1588124775 QPONNFSGDZEWAG-UHFFFAOYSA-N 475.459 2.310 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCO[C@H]1CCOC1 1588233581 LPDPWDYJYTWUNL-LEWJYISDSA-N 487.601 2.245 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CC2(c3ccccc3OC)CC2)CC1 1588885008 QRTJMRSMHGATQU-UHFFFAOYSA-N 478.597 2.123 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CN(CC(C)C)CCO2)CC1 1588898776 BMQAWCVYYUEGKS-XMMPIXPASA-N 489.624 2.139 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CC(C)(C)N2C[C@@H](C)O[C@H](C)C2)CC1 1588930011 KZPYZUKHZXCEQU-KCZVDYSFSA-N 486.661 2.026 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](c2nc(C)cs2)C1 1593636161 IFZLEPFIBGQOPO-IAGOWNOFSA-N 466.633 2.336 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](Cc2ccccc2)OC)CC1 1594097210 NQXUESAREYKRND-RTWAWAEBSA-N 475.615 2.025 30 10 JEEE C=CC[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)NC(C)C)CC1)c1ccccc1 1594544854 NKMCXLWXFMHGEW-FGZHOGPDSA-N 479.629 2.236 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCC[C@H](CNC(C)=O)C1 1595784500 GZVOBHCLRONRRK-LJQANCHMSA-N 484.626 2.390 30 10 JEEE CC(=O)N1CCN(CCn2c(-c3cccc(C)n3)nnc2N(C)Cc2cccc(C#N)c2)CC1 1596288419 DZYBSPKOZCCKEG-UHFFFAOYSA-N 458.570 2.321 30 10 JEEE COCCN1C(=O)c2ccc(C(=O)N3CCC[C@@H]3[C@H](C#N)c3ccccc3)cc2S1(=O)=O 1618313110 GJRFYTBLELPNJM-WOJBJXKFSA-N 453.520 2.389 30 10 JEEE C#Cc1cncc(C(=O)N2CC[C@H]3[C@H](C2)NC(=O)N3C2CCN(C(=O)OC(C)(C)C)CC2)c1 1629912112 IZDJCCZOFNGLLL-PMACEKPBSA-N 453.543 2.071 30 10 JEEE C=C(C)C[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCCO2)c1)C(=O)OCC 1633297383 PMVILWULBKVPFY-DOTOQJQBSA-N 458.964 2.425 30 10 JEEE COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)N[C@H](C)c3cccc(C#N)c3)CC2)c1 1638397222 DPXMXTXMAZJOBP-MRXNPFEDSA-N 458.540 2.353 30 10 JEEE C#C[C@@H]1COCCN1C(=O)c1cc(S(=O)(=O)NCc2ccccn2)c(Cl)cc1Cl 1638848376 NYHZKIITSQUVBL-CQSZACIVSA-N 454.335 2.341 30 10 JEEE CC(C)(C)c1ccc(S(=O)(=O)NCCC(=O)N2CCN(c3ccc(C#N)nc3)CC2)cc1 1644911817 FSRCGULMWFSIEW-UHFFFAOYSA-N 455.584 2.268 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC(c3cc(C(=O)OC)on3)CC2)ccc1F 1650799233 FEVGGRGEFRBDME-UHFFFAOYSA-N 451.476 2.084 30 10 JEEE CC(=O)N1CCC(C)(C)c2cc(S(=O)(=O)N3CCN(c4ccc(C#N)cn4)CC3)ccc21 1653731812 HFUQDVOOUHLUHA-UHFFFAOYSA-N 453.568 2.498 30 10 JEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCO[C@H](C(F)(F)F)C3)nnc12 1654349994 IIPZDHJUOYUOSY-AWEZNQCLSA-N 453.446 2.112 30 10 JEEE CCOC(=O)c1cc(S(=O)(=O)N2CCN(c3ccc(C#N)nc3)CC2)c(F)cc1Cl 1656772881 BQRZSMNISDPVDC-UHFFFAOYSA-N 452.895 2.433 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cn3nc(C)cc3C)n2CC[C@H]2COCCO2)c1 1689873236 BSDQFRBWORNIIO-QFIPXVFZSA-N 477.569 2.001 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2cccc(F)c2[C@H]1C 1689930245 NNMROGMXSDTGKO-APWZRJJASA-N 461.563 2.287 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1ccc(OC(C)C)nc1)[C@H]1CCS(=O)(=O)C1 1689985991 GPOXOMKSFFYXSZ-SFHVURJKSA-N 454.556 2.130 30 10 JEEE C#CCN(c1nnc(C2CCC2)n1CCc1ccc(OC)cc1OC)[C@H]1CCS(=O)(=O)C1 1689991074 VGJSHXOROFAKGK-IBGZPJMESA-N 458.584 2.432 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCc1c(C)noc1C 1690006677 WVUCJZMTENTEKS-UHFFFAOYSA-N 466.567 2.116 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccc(C)cc2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1690026456 AIMKOMULBVPKMK-UHFFFAOYSA-N 474.565 2.493 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(c2ccccc2)CCOCC1 1690032871 LEHNDGQATURWAQ-FQEVSTJZSA-N 469.611 2.100 30 10 JEEE C#CCN(CC)c1nnc(-c2ccc(F)cc2Br)n1CCNC(=O)c1cc[nH]n1 1690067403 ZBCUREPLDMODHB-UHFFFAOYSA-N 460.311 2.459 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(F)ccc3Br)n2Cc2ccn(C)n2)CC1 1690115224 XLNAXWQPFYIQFR-UHFFFAOYSA-N 458.339 2.384 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OC)n2Cc2cnn(CC)c2)CC1 1690152609 RMZIAADBBSWSLJ-UHFFFAOYSA-N 477.569 2.096 30 10 JEEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@H](COCC)C1 1690170892 RNMMPFRFVDLIKX-QGZVFWFLSA-N 452.584 2.421 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCCCS1(=O)=O 1690196323 GZNHNSUCWYBKCU-SIKLNZKXSA-N 476.624 2.308 30 10 JEEE C=C(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(C(=O)NCCCOC)CC1 1690284617 MJWXXKZNVCBGOG-UHFFFAOYSA-N 479.585 2.137 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2c(F)cc(F)cc2C1 1690345671 AJPXSULSWDMWJW-KRWDZBQOSA-N 473.933 2.204 30 10 JEEE C=CCN(CCOC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@]1(O)CCO[C@@H]1C 1690620027 MQWFTUDMOVRQII-IQGLISFBSA-N 482.585 2.415 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(NC(=O)N(C)C)cc2)C1 1690699485 FTYAMNAHAQDRON-UYAOXDASSA-N 488.614 2.103 30 10 JEEE CC[C@H](C)NC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(C(C)=O)CC1 1694222580 DBYAQRGSRMAACZ-SFHVURJKSA-N 467.574 2.092 30 10 JEEE CCCNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCS(=O)(=O)C2)C1 1695407980 DTBBVBRQOAGCOW-CTNGQTDRSA-N 484.626 2.384 30 10 JEEE CO[C@]1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(CC(C)C)C(=O)[C@H]2C)CCOC1 1697225300 AGWZMXQQUHJTNN-KOSHJBKYSA-N 452.559 2.315 30 10 JEEE C#CCN(c1nnc(C(C)C)n1CC1(N2CCC(OC)CC2)CCCC1)[C@@H]1CCS(=O)(=O)C1 1705562270 ZDGXEAJKQYVDOE-HXUWFJFHSA-N 477.675 2.452 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@H](C)CN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1705563740 DMQWDNRFURPLAF-WOJBJXKFSA-N 471.627 2.312 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1ccc(C[S@@](C)=O)cc1)[C@H]1CCS(=O)(=O)C1 1705564911 FNHOKZGENXGWDF-UTNVIAISSA-N 490.651 2.073 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC1(C(N)=O)CCCC1 1705581128 XQAHWLLLDQHPQH-UHFFFAOYSA-N 471.565 2.354 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ccc(OC)nc1OC 1705607232 VZZWRXXDGDXZOU-UHFFFAOYSA-N 484.582 2.115 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@H]2CCCc3cccnc32)CC1 1705645664 ZSFMDCMQVCTOCU-DENIHFKCSA-N 480.613 2.483 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CCN(C)CC(F)(F)F)CC1 1705650555 UAJQTHUKACSLJY-UHFFFAOYSA-N 483.564 2.094 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](SC)C(C)(C)C)CC1 1705651151 MAIXNNPHOHIOTK-GOSISDBHSA-N 460.648 2.144 30 10 JEEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1705660149 OEDRSWJTCLBOJB-KRWDZBQOSA-N 457.560 2.168 30 10 JEEE C=C(C)COCCn1c(-c2cccc(OC)c2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1705730086 BZFVKPVCDCZVJX-HXUWFJFHSA-N 468.558 2.313 30 10 JEEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(OC)c(OC)c2OC)CC1 1705769034 GYWPXPMMCUUDMD-KRWDZBQOSA-N 462.572 2.411 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)CC2CCCCC2)CC1 1705903624 YYHDDMNUQACILK-FQEVSTJZSA-N 458.607 2.441 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCN2CCOCC2(C)C)C1 1705919624 HNRDKJXPYVGFST-HXUWFJFHSA-N 489.642 2.241 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1705930847 XGWGOBVVYKTVGF-VDGAXYAQSA-N 491.589 2.405 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N(C)Cc1c(C)noc1C 1705937041 GSTPQKQRHULHOW-UHFFFAOYSA-N 450.590 2.476 30 10 JEEE C[C@H](Oc1ccccc1F)c1nnc(N2CCC(C#N)CC2)n1CCNC(=O)c1cc[nH]n1 1706924681 BMSXGISTQFIEDD-HNNXBMFYSA-N 452.494 2.450 30 10 JEEE CN(C)C(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1710980384 CBJHKBAMUOCDAJ-LJQANCHMSA-N 483.573 2.025 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1nc(C)cs1 1722417330 DHHBIPDZKGGVCM-OAHLLOKOSA-N 462.576 2.480 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC[C@H]2C[C@H](F)C2)CC1 1722438550 YRJKRYJIEJVELG-UFYCRDLUSA-N 476.597 2.480 30 10 JEEE C#CCN1CCN(c2nnc(CSc3ccc(C)cc3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1722442182 UKVKEPJLBVPNDM-WCWDXBQESA-N 491.621 2.160 30 10 JEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N(CCO)Cc1ccc(Br)s1 1722458990 ZNQLTJXFXSKYFW-AWEZNQCLSA-N 484.445 2.419 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1722483397 GTUSJHOTGFTTCU-JTQLQIEISA-N 460.258 2.373 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc(-c2cnn(C)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1722660539 XYFMZODSJKUPJA-KRWDZBQOSA-N 473.578 2.292 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCN1CCOCC1 1722672104 KCYICSCNEJKPGC-HXUWFJFHSA-N 476.622 2.487 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](CC)c2ccccc2)nnc1N1CCO[C@]2(CCOC2)C1 1722724293 SNLGKARELJMNAU-NZQKXSOJSA-N 460.600 2.417 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1722729936 BTWLTQYBBSYFDX-DYESRHJHSA-N 466.629 2.306 30 10 JEEE CC(C)(C)NC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1722971301 DNUVTMOEJZAZRI-NHCUHLMSSA-N 482.585 2.418 30 10 JEEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCCO[C@H](C)C2)CCO1 1726733101 AMWYIMFNIXRLRO-UXHICEINSA-N 454.575 2.455 30 10 JEEE CNC(=O)[C@@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C(C)C)N2CCOCC2)C1 1729647442 FOZGETJEPYGDJI-GJZUVCINSA-N 495.628 2.048 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccccc1OC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1740626750 MZNOJLXZPHIUBC-DLBZAZTESA-N 484.500 2.356 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2CC[C@H](C(F)F)N2CCOCC2)CC1 1740694104 YOIKNADRBOMCJJ-HXUWFJFHSA-N 474.556 2.065 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)s3)n2CC(=O)NCC(F)(F)F)CC1 1740697407 CWPYAZMTLLNNAT-UHFFFAOYSA-N 491.337 2.203 30 10 JEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2CCCN(CC(C)C)C2)CC1 1740698864 OAOPAZZUYKFGAF-HSZRJFAPSA-N 452.651 2.263 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1740753927 AUTOBQGOIBYROB-RXVVDRJESA-N 474.009 2.185 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1740778669 QIOAPKUSQQXVRY-QGZVFWFLSA-N 478.582 2.301 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H]1CCS(=O)(=O)C1 1740915027 RMMLCIKIWJTPCM-ZJSXRUAMSA-N 485.610 2.429 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(c2nc(C)cs2)CC1 1740955155 NSLAZGPKBNYQMF-UHFFFAOYSA-N 483.598 2.356 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CC[C@@](C)(C(N)=O)C2)cc1 1740964996 BWZTVTBXYVPUJK-XMMPIXPASA-N 461.526 2.240 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCN2CCOC[C@H]2C)C1 1740973887 GQUSQRDBKRJCEO-UYAOXDASSA-N 457.575 2.464 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCCC(=O)N(C)C)C1 1740980727 MGAZQBFJXOHOEY-MOPGFXCFSA-N 492.621 2.236 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccc3F)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1740982168 UGKRDWNEEJVOHJ-PKOBYXMFSA-N 463.579 2.071 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccc(C)cc1)N1CCCC1 1748639395 GGJRFTSODSLLFS-ZVDOUQERSA-N 458.632 2.492 30 10 JEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(Cc2ccc(F)cc2)CC1 1748732398 ZMIOENSLHXSJHH-GOSISDBHSA-N 462.595 2.153 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2Cc2cccn(CC)c2=O)CC1 1749010019 GCHHMOCTFXGVBN-UHFFFAOYSA-N 458.566 2.449 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C(C)(C)O)cc2)C1 1749713636 VXFDXXHTPKBQQU-QUCCMNQESA-N 460.600 2.237 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)Cc1ccccn1 1749727578 XWRMJILFYFOVON-UHFFFAOYSA-N 455.540 2.349 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCOCCOC 1760116774 KAGXYEUODWRXCZ-ROUUACIJSA-N 451.568 2.098 30 10 JEEE C#CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1760150714 RMFFWOSMUOLUQU-SFHVURJKSA-N 475.615 2.484 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCC1CC1)[C@H]1CCS(=O)(=O)C1 1760181519 WSBFORNUIMPKLU-SFHVURJKSA-N 474.583 2.398 30 10 JEEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1(N(C)C)CCCC1 1760247820 QIZUJANQIUTUAS-UHFFFAOYSA-N 473.647 2.199 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)CCCC(=O)NC 1760322857 YHOAUWWFDVIYCW-RBBKRZOGSA-N 482.633 2.396 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F 1760358557 WPAXQLBKBPXJHU-CQSZACIVSA-N 476.525 2.162 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc(Cn2nc(C)cc2C)n1CCN1CCCS1(=O)=O 1760482910 WBNMRSYWHPZRGG-UHFFFAOYSA-N 469.615 2.368 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCOCC1 1760487468 VAZSNQKVWQGHTM-SFHVURJKSA-N 465.645 2.157 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1760515969 UETNCEFKRQXLMU-PXNSSMCTSA-N 458.994 2.448 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCNC(=O)[C@H]1CC 1760518928 MFIDVHIYYFHSJK-LJQANCHMSA-N 464.526 2.134 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccc(Cl)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1760528207 VUYNCEPMLKIVEX-OAHLLOKOSA-N 470.020 2.149 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@]2(N(C)C)CCC[C@@H](C)C2)C1 1760542167 DRJKXQCFPLDSSW-URFJDIBFSA-N 465.664 2.472 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(C)[C@@H]1CCCN(Cc2ccccc2)C1 1760552109 BXFSPTRUJRKGNV-JOCHJYFZSA-N 483.642 2.380 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N(C)Cc1nc(O)c2sccc2n1 1760556585 IWJDRQQIFBIBKF-UHFFFAOYSA-N 485.595 2.211 30 10 JEEE CCCNC(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(C#N)CC1 1764549706 FGJLXVHIQTVOEF-UHFFFAOYSA-N 451.579 2.108 30 10 JEEE CN(C)CCOc1ccccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CC#N)CC1 1766931585 GUVMOXQNAUUPHX-HXUWFJFHSA-N 451.575 2.348 30 10 JEEE CN(Cc1cccc(C#N)c1)c1nnc(Cc2ccncc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1768659239 ALRVCBNQYZCNPB-OAQYLSRUSA-N 465.583 2.053 30 10 JEEE C#CCOC(=O)NS(=O)(=O)c1ccc(CNC(=O)/C=C/c2ccc(OC)c(OC)c2)cc1 1858964202 GLPPDFYHMBRBBL-XYOKQWHBSA-N 458.492 2.082 30 10 JEEE Nc1cccc(C(=O)C2=C(O)C(=O)N(CCc3cnc[nH]3)[C@H]2c2cc3c(cc2[N+](=O)[O-])OCCO3)c1 1862568012 GLKAQEMGKLQBHP-NRFANRHFSA-N 491.460 2.492 30 10 JEEE O=C(C1=C(O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1ccc(O)c([N+](=O)[O-])c1)c1cccc(O)c1 1862597488 VCDBXSCCJAYARV-OAQYLSRUSA-N 483.477 2.307 30 10 JEEE CC(=O)Nc1ccc(C)c(-n2nnc(C#N)c2NC(=O)c2ccc(NS(C)(=O)=O)cc2)c1 1870143293 GMCDMVQRMAMFTB-UHFFFAOYSA-N 453.484 2.030 30 10 JEEE COc1ccc(CCN2C[C@@H](C(=O)Nc3c(C#N)nnn3-c3cccc(C)c3)CC2=O)cc1OC 1870150096 YGNNEBJGECSWFF-SFHVURJKSA-N 474.521 2.494 30 10 JEEE C=CCn1cc(OCC(=O)Nc2cccc(Cl)c2)c(=O)cc1CN1CCN(C(C)=O)CC1 1870713468 HMZLCOZDQABEBE-UHFFFAOYSA-N 458.946 2.369 30 10 JEEE CC(C)[C@](C)(C#N)NC(=O)Cn1cnc(I)c1I 1962893135 RBNBHXGUAYXXDP-NSHDSACASA-N 472.068 2.147 30 10 JEEE C#CCNC(=O)C[S@@](=O)C(C)(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 2019026378 KAZBSCZPBJHVNU-XSJBNIOMSA-N 482.558 2.255 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@H](C(=O)NCc2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2180981250 RWUYKVNKKQJXHZ-GOSISDBHSA-N 460.380 2.486 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)S(=O)(=O)C(C)(C)C1 2197738688 FGVYWOZREYYSIE-WOJBJXKFSA-N 490.626 2.036 30 10 JEEE CC1(C)OB(c2c[nH]nc2C(=O)N2CCC[C@@H](NC(=O)OCc3ccccc3)C2)OC1(C)C 2253171396 BQEWXJQLLQMTTI-QGZVFWFLSA-N 454.336 2.240 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@H](O)CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2255703518 TZPLXSUTKOPAQZ-KBPBESRZSA-N 452.382 2.147 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](O)CN1C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2255869769 FQPJZPVHRMYZPM-KGLIPLIRSA-N 452.382 2.147 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)NCCC1(O)CN(C(=O)OC(C)(C)C)C1 2260113667 JBRPMVYXAKHGLC-INIZCTEOSA-N 454.568 2.452 30 10 JEEE Cc1sc(C(=O)N2C[C@H](O)C[C@H]2CNC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2267112610 JJZSZAZFNJKOAZ-LSDHHAIUSA-N 466.409 2.456 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H](C)CCN(C)C(=O)OC(C)(C)C 2267155748 YDHSUJZSZJXUSM-CQSZACIVSA-N 450.389 2.403 30 10 JEEE CC1(C)OB(c2csc(S(=O)(=O)N3CCN(Cc4ccccc4)[C@@H](C#N)C3)c2)OC1(C)C 2267371451 ARDLLOWIPMHVTQ-IBGZPJMESA-N 473.429 2.446 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(C)C 2267539535 RNNWPBVWWVNTPS-MRXNPFEDSA-N 450.389 2.481 30 10 JEEE Cc1sc(C(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)cc1B1OC(C)(C)C(C)(C)O1 2267549004 WNUWVWJWMOBASC-GOEBONIOSA-N 466.409 2.313 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H]1CNS(=O)(=O)Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2267710146 OLMMMERCVJTHBP-GOSISDBHSA-N 466.409 2.415 30 10 JEEE CN(Cc1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(=O)[C@@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C 2268638676 UXDLOMLVOLUELY-WBVHZDCISA-N 466.409 2.376 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H]3CC[C@]3(NC(=O)OC(C)(C)C)C2)n1 2281997197 YMFPXVKMWGTMQR-WNSKOXEYSA-N 460.384 2.332 30 10 JEEE CN1CCN(C(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)[C@H](CNC(=O)OC(C)(C)C)C1 2282186814 ZSHJIGXCEVOATD-LJQANCHMSA-N 459.396 2.267 30 10 JEEE CC(C)(C)OC(=O)NCCC1(O)CCN(C(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)CC1 2282206008 ZATKCHRMEPAROC-UHFFFAOYSA-N 464.368 2.461 30 10 JEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1cc(F)ccc1B1OC(C)(C)C(C)(C)O1 2282402282 CYZOMIHMWCDLHQ-ZWKOTPCHSA-N 464.343 2.489 30 10 JEEE Cc1nc(C(=O)N(C)C[C@H]2COCCN2C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2282512035 FVVAXQCBPQEOJO-HNNXBMFYSA-N 481.424 2.459 30 10 JEEE C[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2CN1C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282552452 KFEDALRTMQOVMS-BZUAXINKSA-N 460.384 2.047 30 10 JEEE Cc1c(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H]3CC[C@@H]32)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282555516 URXDHFJINCJUGR-HOTGVXAUSA-N 460.384 2.252 30 10 JEEE CCc1nn(C)c(C(=O)N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2282559286 IDCCWRJADDWPPC-HNNXBMFYSA-N 462.400 2.269 30 10 JEEE Cc1c(C(=O)N2CC[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282593172 MPZDYVBKJGVKCH-HOCLYGCPSA-N 462.400 2.403 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@]2(NC(=O)c3ncncc3B3OC(C)(C)C(C)(C)O3)CCC[C@H]12 2282707752 CJQCZYNUSAFRSY-HJPURHCSSA-N 458.368 2.438 30 10 JEEE CC(C)[C@@H](NC=C1C(=O)Oc2ccccc2C1=O)C(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 2297633214 IQHJGGLBCFGABZ-SAHWJRBASA-N 461.518 2.094 30 10 JEEE CC(=O)NCc1nnc(SCC(=O)NC2CCCCC2)n1N=Cc1cccc([N+](=O)[O-])c1 2330770240 HFLHXWXAJJMYPJ-UHFFFAOYSA-N 459.532 2.246 30 10 JEEE Cn1ncc(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 2359266947 FYGOGWOPQCQLOM-NXNVCVFFSA-N 460.384 2.141 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1C[C@@H]2[C@H]1CCN2C(=O)OC(C)(C)C 2359267737 ZAXPTAJMQAOENB-HRCADAONSA-N 460.384 2.155 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C(=O)O)N(C(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C1 2362496695 MZRLSPAZYPERNO-TZMCWYRMSA-N 481.380 2.025 30 10 JEEE N#CCCN(C(=O)CN1CCN(S(=O)(=O)c2ccccc2C#N)CC1)c1cccc(Cl)c1 10986286 YBFLRKFHCVEHQL-UHFFFAOYSA-N 471.970 2.465 30 10 JEEE CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)CCN1C(=O)c2ccc(Br)cc2C1=O 11075470 JOLDXCJQNFRDHN-FKIZINRSSA-N 464.316 2.421 30 10 JEEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(S(=O)(=O)NCCCC)cc2)cc1 47157291 ZUKCEYVXWZYPBA-UHFFFAOYSA-N 451.570 2.482 30 10 JEEE CN(C)c1ccc([C@H]2/C(=C(/O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN2CCOCC2)cc1 111273595 DVZREYFHHNXHPQ-MYXKAAJQSA-N 493.560 2.278 30 10 JEEE CC(=O)Oc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CCN(C)C)cc1 170108822 JVSNLMGFQKLJME-OAQYLSRUSA-N 452.463 2.481 30 10 JEEE C=CCNC(=O)CCSc1nnc(N/N=C/c2c(C)nn(-c3ccccc3)c2N2CCOCC2)[nH]1 253575849 VCLSFQUYWMAVKB-PCLIKHOPSA-N 495.613 2.366 30 10 JEEE C=CCn1c(S)nc2cc(C(=O)NCc3ccc(N4CCN(CC)CC4)nc3)ccc2c1=O 916689037 PUIHDNQVSPADLL-UHFFFAOYSA-N 464.595 2.338 30 10 JEEE CCOC(=O)c1sc(NC(=O)CSc2n[nH]c(NN=Cc3cn(C)nc3C)n2)c(C#N)c1C 1084370479 VENIHTFLKPPNAL-UHFFFAOYSA-N 487.571 2.442 30 10 JEEE C#CCN(C(=O)CNS(=O)(=O)c1ccc(CNC(C)=O)s1)[C@H]1CCCc2ccccc21 1156938014 NXGCPPDNOWGMSU-FQEVSTJZSA-N 459.593 2.202 30 10 JEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H]2CCCS(=O)(=O)[C@@]2(C(F)(F)F)C1 1181103355 JWNYTEDSHJGZEL-GLJUWKHASA-N 452.495 2.261 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@H]2CCCN2CC)CC1 1286493355 UQPWOAOPIOQQAP-OAQYLSRUSA-N 468.577 2.446 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCC(=O)N(C)C 1286518398 SZTZPVVPRQBHLW-HSZRJFAPSA-N 472.615 2.056 30 10 JEEE C=CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(C(=O)NC)CC1 1286686979 LMXJPBPNWIXISU-UHFFFAOYSA-N 453.595 2.270 30 10 JEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cc(F)cc(F)c2)CC1 1286693415 PDSSRUANNMILNQ-HNNXBMFYSA-N 454.547 2.459 30 10 JEEE C=CCN(c1nnc(-c2ccc(Br)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1)C1CC1 1286735202 QNGYPQXRPCPKCH-IBGZPJMESA-N 467.389 2.412 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC(n2c(CC)nc3ccccc32)CC1 1286781657 WPVCBXPJJMFHQR-UHFFFAOYSA-N 478.601 2.472 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1286793076 QPWWZSALVASRTF-IBGZPJMESA-N 480.573 2.218 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 1286820572 NOETWPAVPDBSDT-ICSRJNTNSA-N 481.663 2.498 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](CC)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1300482804 HVDIICNMGCOCRA-FGZHOGPDSA-N 466.611 2.318 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1300521059 RTGFJXTXTABRTP-RBBKRZOGSA-N 467.595 2.231 30 10 JEEE COc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1300658437 DVWMMJDEKIEWQX-VAMGGRTRSA-N 470.574 2.094 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnn(C)c3)n2CC(F)(F)Br)n1 1300681516 SFNDWHAGAUOSJW-UHFFFAOYSA-N 483.321 2.149 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@](C)(O)c2ccccc2Cl)CC1 1300726344 NVZRHPWWQNIARO-HOYKHHGWSA-N 471.989 2.309 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(OC(C)(C)C)nc2)C1 1301538493 IFTXMPNRQDFMPM-AEFFLSMTSA-N 478.619 2.290 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(Nc2cccc(C)c2)CC1 1301585114 HPHAEDXAAQBVAK-FQEVSTJZSA-N 472.615 2.219 30 10 JEEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2C[C@H](C)O[C@H](C)C2)C[C@@H]1C 1301890145 IEVFWDSQCMJPRH-FDFHNCONSA-N 481.645 2.473 30 10 JEEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)c2ccsc2)CC1 1314529325 CVSWCCPXDWCJPR-UHFFFAOYSA-N 484.607 2.275 30 10 JEEE CS(=O)(=O)[C@H]1CCCCN(c2nnc(COc3ccc(C#N)cc3)n2CCC2(O)CCC2)C1 1316335141 AAPNFCGTPMWVLN-FQEVSTJZSA-N 473.599 2.437 30 10 JEEE CS(=O)(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCSC2)C1 1316342416 CEGLXBPEHOIFIP-MJGOQNOKSA-N 461.613 2.495 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1(S(C)(=O)=O)CCC1 1358870402 MQWUULCWWXTXEX-HNNXBMFYSA-N 463.991 2.287 30 10 JEEE C#CCN(c1nnc(C(C)C)n1Cc1ccc(C)cc1N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1358955441 LZDCNTOOQBKYIM-OAQYLSRUSA-N 471.627 2.222 30 10 JEEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CCSc1ccccc1)[C@H]1CCS(=O)(=O)C1 1358956102 AFYUJVATLWSLCS-WMZHIEFXSA-N 490.651 2.349 30 10 JEEE C#CCN(c1nnc(-c2ccc(Br)s2)n1C[C@H](C)OC)[C@H]1CCS(=O)(=O)C1 1358958911 YHDQYHYSAXLCEA-STQMWFEESA-N 473.418 2.431 30 10 JEEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCCCS1)[C@@H]1CCS(=O)(=O)C1 1358966365 NIIXKZGHXXJUGI-SJORKVTESA-N 493.680 2.182 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccccc2OC)n1CC1(NC(=O)OC(C)(C)C)COC1 1359021980 ITZUQEZLLSTSGU-UHFFFAOYSA-N 471.558 2.333 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H](C)N1CCOCC1 1359024970 ZIGOLFHCTMIQFN-RTWAWAEBSA-N 490.649 2.199 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](CC)c2ccccc2)CC1 1359040849 HWOOZWAJQRLKNA-RBUKOAKNSA-N 486.642 2.048 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](C)c2ccc(F)cc2)CC1 1359045386 FSXJBSHMKXHDTB-PXNSSMCTSA-N 487.601 2.089 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1359118489 MNOKWVGHLLAHDR-JTSKRJEESA-N 461.588 2.156 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(CC(C)C)CC1 1359294622 ZNMPEQMOQHYNSU-UHFFFAOYSA-N 450.385 2.116 30 10 JEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1359302908 XTLRWKUZKJNPEF-HXUWFJFHSA-N 463.567 2.386 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCCO3)n2CCc2ccc(S(N)(=O)=O)cc2)C1 1359319659 COKLBCXOVOFNHI-UYAOXDASSA-N 461.588 2.191 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCC2(CCN(C)C2=O)CC1 1359330443 RRUSPBJQVATKMU-UHFFFAOYSA-N 457.600 2.303 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 1359331908 KJUGZGLVFYTYFW-MRXNPFEDSA-N 450.565 2.231 30 10 JEEE Cc1noc([C@H]2CCCN(c3nnc(-c4ccc(C#N)cc4)n3CC(=O)NCC(F)F)C2)n1 1493094462 DZQWOBFYEPIWNE-INIZCTEOSA-N 456.457 2.274 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCN(C)[C@H]1c1cccs1 1507514966 FSNFXDFMTCGCBC-LSTDLKDCSA-N 464.661 2.491 30 10 JEEE C#CCCCCn1c(-c2cnccn2)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1507560714 NGTMNRPECVVIMV-UHFFFAOYSA-N 465.583 2.191 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@H]1CC(=O)N(c2ccccc2)C1)[C@H]1CCS(=O)(=O)C1 1507621953 DBWFSOWZIWWCSC-QUCCMNQESA-N 469.611 2.255 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1CC1=CCN(C(=O)OC(C)(C)C)CC1)[C@H]1CCS(=O)(=O)C1 1507634373 KAQGUWPKKCMNQI-FQEVSTJZSA-N 489.642 2.425 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@@H](C)N(C)C1CC1)[C@H]1CCS(=O)(=O)C1 1507635562 XEWGUOJWIACVNO-UTKZUKDTSA-N 459.591 2.117 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCCN(C(C)=O)C1 1507703508 WKEKQHJMSOFOKH-OAQYLSRUSA-N 466.561 2.438 30 10 JEEE C#CCN1CCN(c2nnc(CSc3ccccc3OC)n2C[C@@]2(C)COCCO2)CC1 1507732107 CBVKBSILAGSOJF-QHCPKHFHSA-N 457.600 2.140 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2Cc2ccc(N3CCOC3=O)cc2)CC1 1507734163 SKSKPTNOYOGWAB-UHFFFAOYSA-N 450.543 2.372 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)cc2OC)n1CCCNS(=O)(=O)CC 1507762866 DBOZRURYNZFAIB-JOCHJYFZSA-N 461.588 2.284 30 10 JEEE C=CCC(C)(C)Cn1c(-c2cnccn2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1507913630 WMWCPQYFXBQIMA-UHFFFAOYSA-N 452.607 2.472 30 10 JEEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 1508087704 DIGUKKVZIIBFOQ-UHFFFAOYSA-N 469.565 2.138 30 10 JEEE C[C@H](Cn1c(-c2ccc(Br)s2)nnc1N1CCO[C@H](C#N)C1)N1CCOCC1 1510030170 FRUBDYAUTPLRAW-ZIAGYGMSSA-N 467.393 2.219 30 10 JEEE COc1cccc(C(=O)NCCn2c(C(C)C)nnc2N2CCN(c3ccc(C#N)cn3)CC2)c1 1518346741 CKUUSHGSEGEIPZ-UHFFFAOYSA-N 474.569 2.433 30 10 JEEE C#CCN(c1nnc(COc2ccccc2OC)n1CC[C@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1539230853 MAYWZNYESCKQLA-VQTJNVASSA-N 488.610 2.452 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1CC(C)(C)OC)[C@@H]1CCS(=O)(=O)C1 1539231176 SMLSWRYNXNPXFL-MRXNPFEDSA-N 450.536 2.048 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@](C)(O)c2cc(C)oc2C)CC1 1539475686 MKECERAJUNTYBW-DEOSSOPVSA-N 450.543 2.357 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](CC)NC(=O)OC(C)(C)C 1539539631 WHNQSTHEEIOUOX-GCKMJXCFSA-N 468.624 2.184 30 10 JEEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)c2ccccc2)CC1 1539606290 CKFUIJFAPXWTHC-UHFFFAOYSA-N 473.375 2.272 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1539641112 CYGQMBZNYUWJOY-UWVAXJGDSA-N 470.540 2.455 30 10 JEEE C=C(Cl)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@@H](COCCOC)C1 1539793433 DPIDRYMMGGZSFZ-MRXNPFEDSA-N 469.011 2.480 30 10 JEEE C=C1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccccc2S(=O)(=O)N(C)C)CC1 1539829813 GMDHHKJSHVGKNW-UHFFFAOYSA-N 481.582 2.380 30 10 JEEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1539952849 KTMNENGYYMDTCW-HZPDHXFCSA-N 456.613 2.348 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)CC2CCCCC2)CC1 1540870856 YNWJUSFSRHRPAL-FQEVSTJZSA-N 458.607 2.093 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cc(Cl)ccc2OC)C1 1540882203 DJFQQIJYTRYAFI-YOEHRIQHSA-N 469.995 2.380 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1540899261 ISCDSAUJJPBCAH-NVXWUHKLSA-N 498.696 2.356 30 10 JEEE CC(=O)N(C)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCO[C@@H]2CCOC2)CC1 1540928927 LDOFUCZNLBTXSJ-JOCHJYFZSA-N 452.559 2.459 30 10 JEEE CC(=O)N1CCC(Cn2c(-c3ccc(C#N)cc3)nnc2N(CCO)CCOCC(F)(F)F)CC1 1540947925 ABSQXAYPBIPWHE-UHFFFAOYSA-N 494.518 2.453 30 10 JEEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1Cc1cccnc1OCC(F)F 1546527387 DHPZTWNMSXOABQ-UHFFFAOYSA-N 471.516 2.168 30 10 JEEE CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cccnc2OCC(F)F)CC1 1554493641 HVEIXJXOMPCPJZ-UHFFFAOYSA-N 482.495 2.365 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCO[C@@H]2C(=C)C)c1 1587684512 XVOWTQCCLMSKQP-SIKLNZKXSA-N 464.570 2.454 30 10 JEEE C#CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1587702582 ZMYVHDKIMPZFRV-UHFFFAOYSA-N 493.033 2.183 30 10 JEEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](NC(=O)CC)C1 1587860978 DODUTXKRFXVLPP-MOPGFXCFSA-N 474.606 2.495 30 10 JEEE C#CCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1587883609 GVIVWXUHBRNWQN-UHFFFAOYSA-N 478.597 2.158 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCCN1CCCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1588073707 BSTIURAJHKLLFK-PWRODBHTSA-N 463.648 2.411 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@H]2NC(=O)CC2(C)C)CC1 1588741552 DTLFJHCKDUZSJL-YLJYHZDGSA-N 454.550 2.227 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1588761789 AYNJGUYXYSJUFO-HNNXBMFYSA-N 496.406 2.037 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@@H]2CC=CCO2)CC1 1588763449 XVGIGOQWJLWADS-IBGZPJMESA-N 453.543 2.071 30 10 JEEE C#CCSCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1588984396 HFMJRIRHOUFOBR-SJLPKXTDSA-N 498.588 2.456 30 10 JEEE C#CCSCCn1c(-c2ccccc2Br)nnc1N(C)CCNS(C)(=O)=O 1589043044 SROXMONCZLGYKK-UHFFFAOYSA-N 472.434 2.059 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(CCOC)C(=O)C1 1589492224 ADHZCBOJGIMJGE-BEFAXECRSA-N 493.406 2.312 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(C)(C)C)CC1 1589496762 ZMRJWTGVEKGPFJ-QRVBRYPASA-N 468.668 2.180 30 10 JEEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1595569372 GABZVJZWJSBQHM-LJQANCHMSA-N 469.586 2.148 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCN([C@H](C)c2nc(CC)no2)CC1 1595797960 KDAKJXIURQHTAX-QGZVFWFLSA-N 477.635 2.365 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1595824038 VRMJEZBNJZFHTQ-IBGZPJMESA-N 475.615 2.132 30 10 JEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1Cc2cc(Br)cnc2NC1=O 1603410402 GSNOIEROMCWRME-KGLIPLIRSA-N 451.321 2.130 30 10 JEEE COc1ccc([C@H](CO)N(C)C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 1624111738 HQGRTQJFXWWBFP-QFIPXVFZSA-N 457.552 2.160 30 10 JEEE C=C(CCC(=O)OC)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1NCC(C)C 1636900874 RWMQZZLCDKVNMD-UHFFFAOYSA-N 453.561 2.223 30 10 JEEE C#CCn1ccc(CN(CCOC)C(=O)c2ccc3c(=O)n(-c4ccccc4)c(O)nc3c2)n1 1639992332 VHVQBFBCEZPQCQ-UHFFFAOYSA-N 457.490 2.210 30 10 JEEE C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1645487160 RADKOLQTTRLMFF-HNNXBMFYSA-N 454.643 2.423 30 10 JEEE C#CCN(CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@@H]1CCc2ccccc21 1653214765 LJXRKMIDYPGEMP-HSZRJFAPSA-N 453.564 2.269 30 10 JEEE C=CCN([C@H](Cc1ccccc1)C(=O)OCC)S(=O)(=O)c1ccc2c(c1)C(=O)NCCO2 1662793624 DHYIFAYVLLRGRQ-HXUWFJFHSA-N 458.536 2.160 30 10 JEEE C#CCOc1ccccc1CNS(=O)(=O)[C@@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1OC 1667313463 OJIUVSBXFSTWFQ-FCHUYYIVSA-N 458.536 2.154 30 10 JEEE C#C[C@@H](NC(=O)N1CCC(c2nnc3n2CCN(C(=O)OC(C)(C)C)C3)CC1)[C@H]1CCCO1 1680314272 MFAGPOSFTFYSNH-QZTJIDSGSA-N 458.563 2.099 30 10 JEEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 1689902222 WXHXKTNPIRSYEJ-UHFFFAOYSA-N 450.591 2.444 30 10 JEEE C#CCN(c1nnc(-c2ccccc2)n1Cc1cccnc1OCCOC)[C@@H]1CCS(=O)(=O)C1 1689984330 NJSCXTYRXNUYGR-OAQYLSRUSA-N 481.578 2.040 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H](C)Oc1ccccc1OC)[C@H]1CCS(=O)(=O)C1 1689986102 IRQCSRIHZJOKNW-QUCCMNQESA-N 481.578 2.443 30 10 JEEE C#CCN(c1nnc(C2CCC2)n1CCOCc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1689991014 UPWBJRIUIVECGC-FQEVSTJZSA-N 458.584 2.398 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1OCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1689992648 NQNJYPWVYZAUCY-PMACEKPBSA-N 460.575 2.450 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ncccc1N(C)C 1690088525 ODNYAXGDJDQPRL-QGZVFWFLSA-N 485.589 2.177 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(C)CN(C)C1=O 1690206486 SKIFDFAZDIZQBI-GAZXMLTASA-N 472.590 2.057 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(Cc2c(F)cccc2F)n1CCS(=O)(=O)NC(C)C 1690207523 BGLDSAUFZPYOOC-OAQYLSRUSA-N 451.543 2.467 30 10 JEEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CNC(=O)c2ccccc2)C1 1690287966 BVWFVFLAGOCSPQ-ICSRJNTNSA-N 457.600 2.403 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N(C)CC1CN(C(=O)OCc2ccccc2)C1 1690667841 JUZNLAUKNOLEKZ-UHFFFAOYSA-N 463.542 2.280 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(C(=O)N2CCCC2)n1CCN1CCOCC1(C)C 1698047485 FMTBBRRAEOKKOS-UHFFFAOYSA-N 495.628 2.150 30 10 JEEE C#CCCCCn1c(N2CCN(c3ncc(F)cn3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1705521414 BFVMMVUCDICNPC-HSZRJFAPSA-N 457.554 2.378 30 10 JEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 1705532720 QIDUHGFFMCOSGU-UYAOXDASSA-N 461.632 2.069 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1csc(-c2ccco2)n1 1705629199 ZQHGSXBTGDYHGE-HNNXBMFYSA-N 461.569 2.031 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3)n2CCCn2ccnn2)CC1 1705636002 VCCZLAHPWOVTRZ-UHFFFAOYSA-N 455.364 2.145 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCNC(=O)c2cccc(OC)c2)CC1 1705636712 VCATXALFKHXZRC-UHFFFAOYSA-N 479.972 2.187 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2Cc2ccc(CN3CCC(O)CC3)cc2)CC1 1705649496 AABUVPILLNFWDP-UHFFFAOYSA-N 492.668 2.447 30 10 JEEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1705663781 DITJIZMTLGEWIC-INIZCTEOSA-N 472.640 2.131 30 10 JEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCCN(c2nccc(OCC)n2)CC1 1705729313 SFAUVILYXSPMSZ-UHFFFAOYSA-N 484.605 2.012 30 10 JEEE C=C(Cl)Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1705744604 JIKFXUICLPBGPP-OXQOHEQNSA-N 480.057 2.328 30 10 JEEE C=CC[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OC)CC1)c1ccccc1 1705797283 TVAFYGNZLXLLRG-PMACEKPBSA-N 473.599 2.429 30 10 JEEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1705812686 JAZFITOTJBLFAJ-IBGZPJMESA-N 487.586 2.431 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCO[C@@H]1C(C)(C)C 1705843922 RCZXNRPXGLYORA-SQNIBIBYSA-N 455.625 2.075 30 10 JEEE C#CCN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H](C)SC)[C@@H]1CCS(=O)(=O)C1 1722359365 SEXJCTZXKIWZLX-MAUKXSAKSA-N 496.058 2.240 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1CCOc1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 1722362975 XUDSVUPLFQXXEJ-QGZVFWFLSA-N 472.958 2.094 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCCC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1722363945 DCGVBDLUDANVJG-HXUWFJFHSA-N 477.656 2.467 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@@H](OC)C2CC2)CC1 1722433130 MFTUGSRXISHLDI-OAQYLSRUSA-N 455.559 2.151 30 10 JEEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1722460745 LOCXBBJPFIJIQG-UHFFFAOYSA-N 491.621 2.064 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(CCOC)C(=O)C1 1722491400 KUVYGCGKYYEKEK-REWPJTCUSA-N 496.612 2.423 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2OCC)n1CCC[C@@H]1NC(=O)NC1=O 1722497982 KGFPUSFVUOTPRY-BXKMTCNYSA-N 466.542 2.236 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](COc2ccccc2)C1 1722536971 JOHDJNNMIKEKFE-CTNGQTDRSA-N 476.599 2.057 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2CCN(C(=O)OC)CC2)CC1 1722580255 BYWNWEWGMDVBNI-GOSISDBHSA-N 451.593 2.061 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccco1 1722654094 IRYDOYOSCRSSAO-OAQYLSRUSA-N 487.582 2.454 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CC[C@@](C)(C(=O)NC)C1 1722693841 BPPKAWSLGYCWPL-IQMFZBJNSA-N 456.616 2.396 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1722694896 LTKWHUXFBYLMNR-UHFFFAOYSA-N 480.491 2.151 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 1722700389 HBSNIXKVWUSTBD-UHFFFAOYSA-N 455.563 2.060 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Br)cc2)nnc1N1CCN(CC2CC2)CC1 1722702054 JFXAILCVJJMAQA-UHFFFAOYSA-N 489.418 2.454 30 10 JEEE CC(=O)NC[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCN(C(C)C)CC2)C1 1722828944 GSZOGIKHXDIJKQ-JOCHJYFZSA-N 479.629 2.405 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc(Cc2cn3ccccc3n2)n1CC(=O)NCCc1ccccc1 1722868768 HGWVXURJEXQHOB-IBGZPJMESA-N 456.554 2.471 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1Cc1ccccc1CN1CC[C@H](O)C1 1740531334 JZOBANLSAAHUOI-AVRDEDQJSA-N 452.603 2.269 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1Cc1cccc(OCC(N)=O)c1 1740539503 TYUJFATVCPPTEJ-AWEZNQCLSA-N 471.359 2.416 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1CCCN(c2ccccc2)C1 1740592013 SFAGAKOGLQVMNG-FCHUYYIVSA-N 486.642 2.130 30 10 JEEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(SC)CCC1)[C@H]1CCS(=O)(=O)C1 1740617652 UYHYGHICDCVZBH-PGRDOPGGSA-N 482.672 2.231 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1CCc1nc(C(C)(C)C)cs1)[C@H]1CCS(=O)(=O)C1 1740627635 RPFWSMIXFNVVOC-IRXDYDNUSA-N 477.656 2.405 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCN(C)CC(F)(F)F 1740647386 NFRRBBYANZUBET-UHFFFAOYSA-N 496.559 2.152 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCO[C@@H]1C(C)C 1740731669 FMIAQGDVYNYMAP-XFGYDDDFSA-N 479.647 2.054 30 10 JEEE C=C(C)COCCn1c(-c2ccccn2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1740790564 JMLRDMWAAYUHKA-OFNKIYASSA-N 467.618 2.312 30 10 JEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](c2cccc(OC)c2)N(C)C)CC1 1740818892 XVWMEFIUQMCNMW-YLJYHZDGSA-N 462.620 2.356 30 10 JEEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)CC2CCCCC2)CC1 1740868167 FVYLASLAEGGTOX-GOSISDBHSA-N 466.652 2.474 30 10 JEEE C=CCN(c1nnc(C(=O)Nc2ccccn2)n1CC1(NC(=O)OC(C)(C)C)COC1)C1CC1 1740907004 PFVCRXRHVQZUMI-UHFFFAOYSA-N 469.546 2.374 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCOC2)n1CC1(C(N)=O)CCOCC1 1740914085 LDOQPEBRBKJTGH-LJQANCHMSA-N 455.559 2.265 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2[nH]c(C)cc2c1 1740941164 DDXODQPDQKSJAS-OAQYLSRUSA-N 488.614 2.088 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCN(CC2CCOCC2)CC1 1740963906 AOTSMHWPYHSBPI-UHFFFAOYSA-N 468.602 2.016 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1740963993 DQAVRXBVJWHKLJ-KOSHJBKYSA-N 455.559 2.106 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2CCS(=O)(=O)NC)C1 1740974604 OGKKHOSKNKHSPP-NVXWUHKLSA-N 465.645 2.462 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 1740992413 PJGKMMGVEDIOEN-UHFFFAOYSA-N 466.995 2.345 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1C[C@H](C)O[C@H](CC)C1 1740992983 QVVURBZKFUVWRD-PKOBYXMFSA-N 458.588 2.121 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1CC1(C)CCOCC1)[C@H]1CCS(=O)(=O)C1 1748808642 FFRDAKPUNACXKE-SFHVURJKSA-N 458.584 2.397 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@](C)(O)CCC(C)C)[C@@H]1CCS(=O)(=O)C1 1748811049 AQZTWNAPVWHJPJ-AUSIDOKSSA-N 459.616 2.462 30 10 JEEE C#CCN(c1nnc(CCCc2ccccc2)n1CCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1748821021 LJHHTLMQYVQDOQ-QFIPXVFZSA-N 466.611 2.285 30 10 JEEE C#CCN1CCN(c2nnc(CCCc3ccccc3)n2C[C@H]2CCCCS2(=O)=O)CC1 1748995013 WEQAPNZTKOECMO-JOCHJYFZSA-N 455.628 2.176 30 10 JEEE C=C(C)Cn1c(COc2ccccc2OC)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1749204839 UCUMTUCTHLVESB-HXUWFJFHSA-N 454.531 2.208 30 10 JEEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1749373764 TWZBTXLKSPYKGW-HSZRJFAPSA-N 479.629 2.351 30 10 JEEE C=CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1(CS(C)(=O)=O)CC1 1749465656 VJQYFAFJNVDGHL-UHFFFAOYSA-N 451.980 2.309 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1NC(=O)CC1(C)C 1749547368 PGVKOURADMCDRD-HKUYNNGSSA-N 475.590 2.427 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1749660556 UEAIDJXBVLHZKP-UHFFFAOYSA-N 495.584 2.192 30 10 JEEE C#CCN(C)c1nnc(Cc2ccccn2)n1C[C@@H]1C[C@@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1760175105 WCPSIBONGIISCT-HOJAQTOUSA-N 452.559 2.358 30 10 JEEE C#CCN(c1nnc(CCCc2ccccc2)n1Cc1cnn(C)c1C)[C@H]1CCS(=O)(=O)C1 1760191321 FMKPMRXYEBMNMO-QFIPXVFZSA-N 466.611 2.170 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1c(C)nn(C)c1C 1760216142 BTTUMVMCICPGNI-UHFFFAOYSA-N 464.599 2.100 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@H]2CC(F)(F)CO2)CC1 1760271427 XPSQSYAKBAJKDK-OAQYLSRUSA-N 487.551 2.462 30 10 JEEE C#CCSCCn1c(COc2cccc(C)c2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1760284765 RKUMYFSUQWWURL-GOSISDBHSA-N 480.598 2.064 30 10 JEEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)c2ccsc2)CC1 1760449654 QEBMZYIIAKDRHP-GOSISDBHSA-N 458.588 2.282 30 10 JEEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1nccc(C(F)(F)F)n1)C1CC1 1760477431 ZYAABHLZUKPNFX-ZDUSSCGKSA-N 456.494 2.387 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(CCCc3ccccc3)n2CC2(O)CCS(=O)(=O)CC2)C1 1760549440 DSGZEQGWHQHHFM-OAQYLSRUSA-N 474.627 2.174 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2C[C@H](C)O[C@H](c3ccccc3)C2)nnc1[C@@]1(OCC)CCOC1 1760558336 MJQXUKGWIWTTDJ-ZCVJKFOLSA-N 490.626 2.497 30 10 JEEE C=CCNC(=O)[C@@H](Cc1ccc(OC(C)=O)cc1)NC(=O)/C=C/c1ccc2c(c1)OCCO2 1861570142 RXURCMRVDBKPHD-FTUXVVSKSA-N 450.491 2.426 30 10 JEEE COc1cc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2CCCNC=O)cc(OC)c1O 1862742671 FUGNNNRYILHRNB-LJQANCHMSA-N 485.449 2.032 30 10 JEEE CC[C@H](NC(=O)c1ccc2c(c1)C(=O)N(CCCN(C)C)C2=O)C(=O)Nc1cccc(C#N)c1 1866610352 ROJHIEBQTWRDRM-NRFANRHFSA-N 461.522 2.253 30 10 JEEE CCOc1ccc(S(=O)(=O)Nc2c(C#N)nnn2-c2cc(OC)c(OC)c(OC)c2)cc1 1870098733 UBZKYLAIUDDWRH-UHFFFAOYSA-N 459.484 2.364 30 10 JEEE CCOc1ccc(-n2nnc(C#N)c2NC(=O)c2ccc3c(c2)C(=O)N(CCCOC)C3=O)cc1 1870142011 WFWMTZGBBDBLAI-UHFFFAOYSA-N 474.477 2.422 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)N(C)C[C@H]2CCCO2)cn1CCCn1ccnc1 1870544540 BMZCUTQCDVDIOV-HSZRJFAPSA-N 483.613 2.325 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)OCCC(C)C)cn1CCN1CCOCC1 1870580241 MDPIZAFIVNCDQL-UHFFFAOYSA-N 461.603 2.323 30 10 JEEE C=CCn1cc(OCC(=O)OCCC(C)C)c(=O)cc1CN1CCN(c2ncccn2)CC1 1870580293 OMEUQARWEBOQLA-UHFFFAOYSA-N 455.559 2.115 30 10 JEEE C=CCN=c1nc(Nc2ccc(C(=O)NCCN(CC)CC)cc2)[nH]c(N2CCC(N(C)C)CC2)n1 1871704895 LRVWTOBLTGEBGK-UHFFFAOYSA-N 495.676 2.237 30 10 JEEE COc1ccc(OCCNC(=O)Cc2nonc2OCC(=O)Nc2sc3c(c2C#N)CCC3)cc1 1872649579 FELZDGWMKFZQMO-UHFFFAOYSA-N 497.533 2.255 30 10 JEEE C=CCn1c(C(=O)NCCCN(CC)CC)cc2c(N3CCC4(CC3)OCCO4)ncnc21 1873593203 JGFFZLVDUUNVBN-UHFFFAOYSA-N 456.591 2.422 30 10 JEEE COc1ccc(CC(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)cc1Br 1889484079 IAHLYVXUPCGOLG-UHFFFAOYSA-N 478.431 2.259 30 10 JEEE Cc1cccc(-n2ncc3c(=O)n4c(nc32)S[C@@H](CC(=O)NCCN2CCC(C#N)CC2)C4)c1 1891137363 GFURKTRJCBMKOL-IBGZPJMESA-N 477.594 2.107 30 10 JEEE CN(C(=O)[C@@H]1CCCN1S(=O)(=O)c1c(Cl)cccc1Cl)C1CN(c2nccnc2C#N)C1 1892162199 YDSNCTLQVYFZAQ-KRWDZBQOSA-N 495.392 2.155 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]([C@@H](F)C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 1907373493 AHOJREDWYFHCNA-VHDGCEQUSA-N 450.320 2.356 30 10 JEEE CS(=O)(=O)c1ccc(-n2nc(/C=N/O)c(I)c2C(F)(F)F)nc1 2078975367 UHJQBGIEIALGTJ-YAXRCOADSA-N 460.175 2.102 30 10 JEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C(=O)N2CCC=C(B3OC(C)(C)C(C)(C)O3)C2)[C@H]1OC 2205490660 WKDDXTKMNDYRME-SQNIBIBYSA-N 466.384 2.426 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2247953848 WEYBZMQZBGAUNF-CQSZACIVSA-N 458.411 2.335 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCN(S(=O)(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2255750509 KWWTYGKQBUWYNH-MRXNPFEDSA-N 452.382 2.274 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H](O)CCC(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)s1 2256623363 CXJJTTGRNWMRSP-AWEZNQCLSA-N 454.398 2.329 30 10 JEEE CC(C)[C@@H](C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)[C@@H](C)NC(=O)OC(C)(C)C 2256623919 ILUORQQKAFOXDS-CHWSQXEVSA-N 454.402 2.383 30 10 JEEE C[C@H]1[C@H](CC(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)CCN1C(=O)OC(C)(C)C 2256676804 QTGDKGDPQHWNKK-STQMWFEESA-N 452.386 2.233 30 10 JEEE Cc1cc(C(=O)N2C[C@H](O)C[C@@H](NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2267150860 FVFHYXMOKWFOEK-HUUCEWRRSA-N 466.409 2.456 30 10 JEEE C[C@H](CCCN(C)C(=O)OC(C)(C)C)NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2267190409 NXZINVSIKDJACR-OAHLLOKOSA-N 450.389 2.485 30 10 JEEE Cn1ncc(CNC(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)c1NC(=O)OC(C)(C)C 2267486024 JWWNJIVECHEQGF-UHFFFAOYSA-N 463.369 2.453 30 10 JEEE CC(C)(C)OC(=O)N[C@]12CO[C@](C(=O)NCc3cc(B4OC(C)(C)C(C)(C)O4)cs3)(C1)C2 2268717215 RHZSENPKTMQZFY-HZCBDIJESA-N 464.393 2.490 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CCO)C(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)ccc1F 2268722308 YJDHVTIVFCYAIM-QGZVFWFLSA-N 452.332 2.017 30 10 JEEE CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1F 2281787057 YQQAGJYLGVRACP-MSOLQXFVSA-N 464.343 2.489 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2COCC[C@@H]2NC(=O)OC(C)(C)C)n1 2282042468 CKBQRFNZDYNRRS-DLBZAZTESA-N 461.368 2.101 30 10 JEEE CC1(C)CN(Cc2ccccc2)[C@@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CO1 2282576110 MPVQCSZKPWPXCI-SFHVURJKSA-N 454.380 2.118 30 10 JEEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@H]2CCOC[C@@H]2OCc2ccccc2)OC1(C)C 2282836655 NDPSCWVNYSTJJM-HKUYNNGSSA-N 494.444 2.236 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](O)CN1c1ccc([N+](=O)[O-])c(B2OC(C)(C)C(C)(C)O2)c1 2282932133 NGLGHWZFHLIYCS-HZPDHXFCSA-N 463.340 2.358 30 10 JEEE CC(C)(C)OC(=O)N1CC(CO)(C(=O)N2CCc3cccc(B4OC(C)(C)C(C)(C)O4)c32)C1 2283970324 FUEDEMWDDMQWKJ-UHFFFAOYSA-N 458.364 2.104 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)N1CCc2cccc(B3OC(C)(C)C(C)(C)O3)c2C1 2283976993 KQDUYDQISOZVRV-HNAYVOBHSA-N 460.380 2.145 30 10 JEEE C[C@H](NC(=O)[C@H]1C[C@@](O)(CNC(=O)OC(C)(C)C)C1)c1nscc1B1OC(C)(C)C(C)(C)O1 2283981586 NYBUQFLMMROUJI-OKHZJLECSA-N 481.424 2.285 30 10 JEEE NC(=O)CSc1nnc([C@@H]2CC(=O)N(Cc3ccccc3)C2)n1N=Cc1ccccc1F 2325918259 VEHMTPUGZRSETB-QGZVFWFLSA-N 452.515 2.393 30 10 JEEE Cc1ccc(NC(=O)[C@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2360551454 PAGXJUDVIFGWIJ-KRWDZBQOSA-N 482.408 2.171 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2[C@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)n1C 2362330727 CLFKMDYQXRAXRC-ARFHVFGLSA-N 460.384 2.013 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]3C[C@@H]32)n1C 2362483759 UDDZTEOYTDBYNS-OAGGEKHMSA-N 460.384 2.155 30 10 JEEE COc1ccc(/C=N/Nc2nnc(SCC(=O)Nc3c(F)cccc3F)n2N)cc1OC 20292830 VIVBPCPJIGHDMA-NUGSKGIGSA-N 463.470 2.464 30 10 JEEE COc1ccc(CCNC(=O)CSc2n[nH]c(N/N=C/c3ccc(O)cc3)n2)cc1OC 59015465 RIXOFIUZKQFFIC-FSJBWODESA-N 456.528 2.425 30 10 JEEE C=CCn1nc(C)c(/C=N/Nc2nnc(SCC(=O)Nc3ccc(OC)cc3C)n2N)c1C 59829900 QABFLSGWJZUHQS-FOKLQQMPSA-N 469.575 2.485 30 10 JEEE O=C(Nc1sc2c(c1C(=O)NC[C@@H]1CCCO1)CCC2)C1=C/C(=C2\C=CC=CC2=O)NN1 135693152 UEDKPCKEBZPQSK-YXNALHSASA-N 452.536 2.025 30 10 JEEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 520138452 OGYHISYRVRXNAL-UHFFFAOYSA-N 475.523 2.453 30 10 JEEE COCCCNC(=O)C(C#N)=c1sc(=Cc2cc(F)c(F)c(F)c2)c(=O)n1Cc1ccccc1 524121951 UJHWQXGDUSDKMM-UHFFFAOYSA-N 487.503 2.031 30 10 JEEE C=CCOc1cc(NCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)ccc1-n1cnnn1 586322290 ASIWXJWHRLIDAJ-UHFFFAOYSA-N 460.498 2.076 30 10 JEEE COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1-c1cc(Cl)cc(Cl)c1 610483469 BTLYVUWQFGTDII-UHFFFAOYSA-N 474.369 2.471 30 10 JEEE C=CCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2cccc3c2OCCO3)c1=O 614891063 MKFBPQJRNTVWRZ-UHFFFAOYSA-N 460.511 2.262 30 10 JEEE CC#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(CCO)CC(=O)O 757202859 VJXJQPSRIFCUTA-QFIPXVFZSA-N 450.491 2.213 30 10 JEEE C#CCNC(=O)C1CCN(C(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc2ccccc2)CC1 1270235069 ISOPNLAOEIJRIO-GHTZIAJQSA-N 457.571 2.473 30 10 JEEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1c(CC)nn(C)c1OC 1286379152 IPALFEUZFDVKCY-UHFFFAOYSA-N 476.629 2.065 30 10 JEEE C=C(C)COCCn1c(-c2ccc3ccccc3n2)nnc1N1CCN(C(=O)COC)CC1 1286603995 MGFYWEFXWQSGAD-UHFFFAOYSA-N 450.543 2.381 30 10 JEEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H]2CCCC[C@@H]2C1 1286609290 ZRCJLOHNGJNRMW-AQNXPRMDSA-N 467.636 2.220 30 10 JEEE C=CCC(C)(C)Cn1c(COc2ccccc2OCC)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1286675861 DOZMSOFLGJTOJJ-SFHVURJKSA-N 482.585 2.005 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@@](C)(C#N)C1 1286817891 ZDHKALZKBLFZKB-QFIPXVFZSA-N 457.556 2.447 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2CC)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1286823962 RTEPPHOSMWKRQW-RBUKOAKNSA-N 476.555 2.134 30 10 JEEE C=CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(C(=O)NC)CC1 1286829937 HEYPNPBDMIJGCP-UHFFFAOYSA-N 453.572 2.476 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2COCCO2)C1 1287058138 CWGNGHQCGRLXDN-OALUTQOASA-N 454.531 2.336 30 10 JEEE Cc1ccccc1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCC#N)CC1CC1 1290181696 GPPCFNRSFZNEIT-OAQYLSRUSA-N 472.615 2.292 30 10 JEEE CCOCc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1Cc1ccc(C)n(C)c1=O 1297270063 BUKCLQHIUPJGRH-UHFFFAOYSA-N 465.533 2.207 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCCC[C@H]2COC(=O)N2CCCC2)s1 1297617071 KFLXGPSGGWMSBV-INIZCTEOSA-N 455.602 2.368 30 10 JEEE CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CN(CC(C)C)CCO1 1297653187 GPQDIDUXVKEMEU-UGKGYDQZSA-N 488.658 2.433 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(=O)N[C@@H](C)CC)c1 1300307097 BNIHYBQSLMJFOX-ZWOKBUDYSA-N 457.600 2.215 30 10 JEEE C#CCCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(CC(=O)NC(C)C)CC1 1300351671 ABLMBUXDIACJQY-UHFFFAOYSA-N 452.559 2.124 30 10 JEEE C#CCCCn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1300419210 HYKXNHAMAMABOV-UHFFFAOYSA-N 466.586 2.060 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CCSC1(C)C)[C@@H]1CCS(=O)(=O)C1 1300482596 GUCNWMCLLBURSK-PWHSHALESA-N 496.699 2.477 30 10 JEEE C#CCN(c1nnc([C@@H]2COc3ccccc3O2)n1CCOCCC(C)C)[C@H]1CCS(=O)(=O)C1 1300496503 RVDHAQMBDZNJHQ-UGKGYDQZSA-N 488.610 2.480 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1Cc1nccs1)[C@H]1CCS(=O)(=O)C1 1300498327 JETACLVHRHBJLJ-AWEZNQCLSA-N 463.535 2.279 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CC12CCOCC2 1300538427 PTXDGACSGDOOQZ-WOJBJXKFSA-N 469.586 2.476 30 10 JEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@](C)(O)c2ccccc2Cl)CC1 1300706427 LUJRQDPMVXFRSQ-DEOSSOPVSA-N 468.005 2.456 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CCS(=O)(=O)C1 1300924455 BQGGLJHWSUTAMF-HTAPYJJXSA-N 483.635 2.302 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(N(C)C)cc2C)CC1 1301086002 DLUQNYVNGQHQMI-OAQYLSRUSA-N 474.631 2.190 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1301506987 SQYLMQOHCMLGQW-SFHVURJKSA-N 453.522 2.461 30 10 JEEE C=CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1301602417 PHWPYERJGQXBNX-UHFFFAOYSA-N 461.979 2.433 30 10 JEEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccnc(OCC(F)(F)F)c2)C1 1302977685 BZIVLZXNCLCFDX-KBXCAEBGSA-N 488.467 2.007 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCCN(c3ccccc3C#N)CC2)n1C[C@@]1(C)CCCO1 1303851407 DJRAELWQXJGGGN-FDDCHVKYSA-N 487.630 2.046 30 10 JEEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCCCS2)C1 1303939361 DLPZCCUSQBPGSC-SQGPQFPESA-N 468.649 2.027 30 10 JEEE C#CCOc1ccc(CNC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC)cc1 1310105550 LNWSELVSUZDYIO-UHFFFAOYSA-N 459.524 2.050 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1CCN(CCC)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1358963508 JLDQLHYQSNMIEM-RBUKOAKNSA-N 495.646 2.056 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCCCC1(F)F)[C@H]1CCS(=O)(=O)C1 1358967997 XDMNUVLGFAAPTB-VJANTYMQSA-N 486.585 2.454 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccsc1)N(CC)CC 1358978115 DICXKMCJPFEINJ-WOJBJXKFSA-N 459.641 2.398 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(F)(F)Br 1358988742 BFJNPUVIXDCMDC-UHFFFAOYSA-N 461.274 2.371 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](CC)c3ccccc3)n2CC(=O)NCC2CC2)CC1 1359040985 LDWNCAYUCPADNL-JOCHJYFZSA-N 462.598 2.312 30 10 JEEE C=C(C)COCCn1c(-c2ccccn2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1359130360 HRZUNAQKSCBZIJ-SFHVURJKSA-N 450.547 2.330 30 10 JEEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 1359342182 QWHXHUADHSIHGN-JKSUJKDBSA-N 450.609 2.499 30 10 JEEE C=CCSCCn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1359345507 ILIVIKBRDJILIO-UHFFFAOYSA-N 490.605 2.490 30 10 JEEE C#CCN(CC(=O)N1C[C@@H](NC(=O)C(F)(F)F)CC[C@H]1C(F)(F)F)C(=O)OC(C)(C)C 1453433664 FZVKUEHAINUFRN-RYUDHWBXSA-N 459.387 2.457 30 10 JEEE C#CCN1CCC(NC(=O)NCc2cccc(S(=O)(=O)NCc3cccc(F)c3)c2)CC1 1477543691 VQMVMGLMKXBYGD-UHFFFAOYSA-N 458.559 2.201 30 10 JEEE CCCS(=O)(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2([S@](C)=O)CC2)CC1 1501332435 FCYRDQLMEKLBTJ-YTTGMZPUSA-N 490.655 2.026 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2Cc2cccn(CC)c2=O)c1 1507550481 LLHZUWGSLNMFIL-OAQYLSRUSA-N 474.565 2.458 30 10 JEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(Oc2ccc(OC)cc2)CC1 1507572986 BPEYSYNCPBILDM-QGZVFWFLSA-N 461.588 2.358 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1Cc1cccc(Cl)c1C)[C@@H]1CCS(=O)(=O)C1 1507630939 JTFLQXWNCQKXTK-QGZVFWFLSA-N 456.959 2.372 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1ccc(F)cc1F)[C@@H]1CCS(=O)(=O)C1 1507631389 DBQLZISPKDPDLQ-MJGOQNOKSA-N 450.511 2.473 30 10 JEEE C#CCN(c1nnc(CC2CCCC2)n1CC(=O)N(C)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 1507635141 PQXKMVOGWQNZSM-NRFANRHFSA-N 475.659 2.429 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCOCC(F)F 1507661312 RTPQNZWGWUBWQV-UHFFFAOYSA-N 464.542 2.291 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC[C@H]1CCO[C@H](C)C1 1507710510 PLCZLVVVCNMDBP-MOPGFXCFSA-N 464.570 2.483 30 10 JEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCCN(C(=O)c2ccsc2)CC1 1507745046 ZMQMHHLJALDOQF-UHFFFAOYSA-N 460.629 2.197 30 10 JEEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H](C)[C@@H](OC)C1 1507749671 YJSVHKPIEFXDBC-PXNSSMCTSA-N 477.656 2.423 30 10 JEEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1507757534 ZHHXMBHCCNWRIM-UHFFFAOYSA-N 477.594 2.172 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1nccc(C(F)(F)F)n1 1507772675 MQCCKANRKLRAAB-AUUYWEPGSA-N 468.505 2.224 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1507791880 SYDRFFMRRMEHIB-XLIONFOSSA-N 496.678 2.038 30 10 JEEE C=C(Cl)Cn1c(N2CCN(C(=O)c3ccccn3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1507875129 NPDXYPXUACTPAH-QFIPXVFZSA-N 460.966 2.429 30 10 JEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(c2ccccc2C#N)CC1 1507942844 FQPYESSDOHKTMH-SFHVURJKSA-N 457.604 2.443 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@]2(CCC(=O)N2)C1)C(C)C 1508012178 YSFXXJGQCHWDKR-CJFMBICVSA-N 469.634 2.072 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c(-c2cnccn2)nnc1N1CCN(C(=O)OC)CC1)C(C)C 1508012402 DPIIDSUEICDGST-FQEVSTJZSA-N 454.579 2.322 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1508080410 AKSCJHXRTWBUHM-UHFFFAOYSA-N 457.579 2.390 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](COc2ccccc2)C1 1508131626 OANYCAUXQFTPKH-IBGZPJMESA-N 473.599 2.020 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H]1c1cnn(C)c1 1508144275 SSVAXQMPCOEHRQ-OAQYLSRUSA-N 481.582 2.405 30 10 JEEE Cc1noc(CCCn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N2CCC(C#N)CC2)n1 1511950404 FEKWOAASQAIOFA-UHFFFAOYSA-N 484.586 2.260 30 10 JEEE CCN1CCN([C@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2C[C@H](C)O[C@H](C)C2)CC1 1515903867 HSWBPHRNNDAFOP-NJYVYQBISA-N 467.618 2.368 30 10 JEEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@]2(C)CN(Cc3ccccc3)C[C@H]2c2ccccc2)C1=O 1538662796 DJMPIMCJVAJVAQ-HFZDXXHNSA-N 460.534 2.138 30 10 JEEE C#CCN(c1nnc(CC)n1C[C@H](CC)N1CCc2ccccc2C1)[C@H]1CCS(=O)(=O)C1 1539219367 JGVIMGXVWQUPFJ-VXKWHMMOSA-N 455.628 2.304 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cnn(CC)c1 1539325672 LNRSHMBWNRJJIZ-FQEVSTJZSA-N 467.574 2.314 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccc(C)n3)n2C[C@@H]2CCCN(C(C)=O)C2)n1 1539423675 BYLVTLKUCCJDDO-JOCHJYFZSA-N 490.612 2.390 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCOC[C@H]2CCCO2)CC1 1539474511 RXZUCWUCJMZIKB-HSZRJFAPSA-N 476.581 2.368 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@](C)(O)C2CCCCC2)CC1 1539480638 DBDUWOSSBFTTLF-NBGIEHNGSA-N 457.619 2.469 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)Oc1cccc(OC)c1 1539539099 PTFXJIRRJMNABG-DRSNIGMVSA-N 461.588 2.357 30 10 JEEE C=C(C)COCCn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1539729976 VMGQZTJRFKBSMC-UHFFFAOYSA-N 468.602 2.291 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCN(c2nc(C)cc(OCC)n2)CC1 1540867718 FJLMCOPTSYMZJJ-UHFFFAOYSA-N 480.548 2.210 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 1540867936 MTXYJFJJKSXIHF-SFHVURJKSA-N 453.591 2.061 30 10 JEEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1540873893 NGUQESVKKDOIIR-UHFFFAOYSA-N 476.629 2.038 30 10 JEEE C=CCOc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2cnn(C)c2C)cc1 1540877692 CBFYRRJADFNDPV-IBGZPJMESA-N 470.599 2.472 30 10 JEEE CC(C)(C)[S@](=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC2(CC1)CNC(=O)C2 1541233299 HUEKQMSUUHKIJF-JGCGQSQUSA-N 454.600 2.470 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1cn(C2COC2)nn1 1587679264 YZPDFYZQOGYDFO-YJBOKZPZSA-N 456.551 2.019 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1CCc1ccc(F)cc1Cl)[C@@H]1CCS(=O)(=O)C1 1588054620 OONCXSWXLUSLDR-FUHWJXTLSA-N 466.966 2.444 30 10 JEEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1Cc1ccnc(OC2CCOCC2)c1 1588159045 ORUQWNNKKLVXAU-UHFFFAOYSA-N 459.554 2.214 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCSCC2)cc1 1588386633 QMJOKDDHYDNQBZ-IBGZPJMESA-N 459.641 2.241 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2Cc2ccc(OCCN(C)C)cc2)CC1 1588913301 GTTLARPBRYHTTP-UHFFFAOYSA-N 489.624 2.238 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1c(C)nn(C)c1C 1589548204 YGIZLNHXZAFQRW-GGPKGHCWSA-N 462.620 2.148 30 10 JEEE C=C(C)COCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CCc1cnccn1 1593735288 BPASXAGZBRXEDJ-UHFFFAOYSA-N 460.542 2.254 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1595776594 BTKPUXKVDDJOPN-HNNXBMFYSA-N 473.020 2.213 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCOC[C@@H](C2CCC2)C1 1595812467 VHOZXDSABSKHCE-SFHVURJKSA-N 465.645 2.488 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)NCCc2ccccc2S(=O)(=O)CC)ccc1F 1597510028 UUXCKTOYJSHONT-UHFFFAOYSA-N 454.545 2.056 30 10 JEEE CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@@H]2CCO[C@H](C)C2)CC1 1615938450 GWWDPSNSOMLSPP-WOJBJXKFSA-N 465.602 2.280 30 10 JEEE CCn1cc([C@H]2C[S@](=O)CCN2S(=O)(=O)c2ccc(C#N)c(Br)c2)cn1 1668951460 ARWVSQKOPJSIRQ-PUAOIOHZSA-N 457.375 2.031 30 10 JEEE C#CCN(c1nnc(-c2cnn(-c3ccccc3)c2)n1CCN(C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1689988257 LRCAZMDHFZBZCZ-JOCHJYFZSA-N 481.626 2.098 30 10 JEEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN1CCC[C@@H](C)C1 1690100904 HDCHSNPJMJRIPS-LJQANCHMSA-N 473.647 2.056 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCCN2CCC(O)CC2)CC1 1690117294 BTRKMGJVUMKPSB-UHFFFAOYSA-N 460.985 2.340 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2C[C@@H]2CCCCN2CC)CC1 1690133549 LAFVPEUPKCTBDS-NRFANRHFSA-N 452.603 2.495 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H]2CCCN(C(C)C)C2)CC1 1690137655 GDOUKLOJSWPRIP-HFZDXXHNSA-N 486.661 2.016 30 10 JEEE C=CCCCCn1c(-c2cnn(C)c2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1690459192 OWJBHJBBERAUBX-SIKLNZKXSA-N 454.623 2.414 30 10 JEEE C=CCCOCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@@H](C(=O)NC)C1 1690500008 IXVYQTMDGRYVHT-GOSISDBHSA-N 489.646 2.102 30 10 JEEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1690733799 NLEIJQSPMJVWRQ-FQEVSTJZSA-N 484.674 2.449 30 10 JEEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCC(CC(=O)N2CCN(CC)CC2)CC1 1690740435 VMLYGIFJNZUFCE-UHFFFAOYSA-N 484.674 2.425 30 10 JEEE N#C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2Cc2cccc(OCC(F)(F)F)c2)CCO1 1698492106 AACPDYKTXUZVMA-QGZVFWFLSA-N 464.448 2.119 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCN(CC)C1CC1)[C@H]1CCS(=O)(=O)C1 1705562641 HCIRYIUJPLRLSU-FQEVSTJZSA-N 457.600 2.065 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccc(OC(C)(C)C)nc1)[C@@H]1CCS(=O)(=O)C1 1705564648 DLQQUFSLJSLJNU-RBUKOAKNSA-N 473.599 2.029 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCn2cc(Cl)cn2)CC1 1705644101 XVKLESPEMPHXPR-IZAXUBKRSA-N 489.024 2.354 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2CCc2ccc3c[nH]nc3c2)CC1 1705644610 WVPXIGLTIXNJPX-UHFFFAOYSA-N 490.612 2.281 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@@]2(O)CCCC2(C)C)CC1 1705650045 LMDBWNBJBWSARX-VWLOTQADSA-N 450.587 2.171 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(C(=O)NC)CC1 1705697432 VEVCFHFHZKCMSY-CTNGQTDRSA-N 487.626 2.292 30 10 JEEE C=CCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](n2cncn2)C1 1705826357 CCLBJCSGTUIWFX-IBGZPJMESA-N 471.587 2.374 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1705903768 TWALOFVIHYQXBR-JOCHJYFZSA-N 493.656 2.288 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC(NC(=O)c2ccc(C)s2)CC1 1705908945 JRNWWIGKHQDJRZ-QGZVFWFLSA-N 458.588 2.201 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1705911153 ZXPNHFAIBZUPRG-LJQANCHMSA-N 467.530 2.299 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1705930091 FBDJZYSCIAEVAG-JCGIZDLHSA-N 480.518 2.272 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCCC[C@H](COC)C1 1705937523 WSIWDXFGUCKEML-KRWDZBQOSA-N 453.634 2.488 30 10 JEEE Cc1nn(C)c(N2CCN(c3nnc(-c4ccccn4)n3CCN(C)CC(F)(F)F)CC2)c1C#N 1707807493 BOKDUGPIHHLFMR-UHFFFAOYSA-N 488.522 2.074 30 10 JEEE CN(C)C(=O)[C@H]1CCCN1CCCn1c(-c2ccccc2F)nnc1N1CC[C@@](F)(C#N)C1 1710972087 BPJWKDKNYCQWGD-AUSIDOKSSA-N 457.529 2.469 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1CCc1cccc(F)c1F)[C@@H]1CCS(=O)(=O)C1 1722362471 UVKQSYKKFJPLRB-QGZVFWFLSA-N 459.522 2.431 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CC1(OCC)CCCC1)[C@@H]1CCS(=O)(=O)C1 1722365319 DDIOHRPBIOSEDU-RBUKOAKNSA-N 450.605 2.148 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1cccc(NC(C)=O)c1)[C@@H]1CCS(=O)(=O)C1 1722368048 OYJVFUXKCJTVMQ-OAQYLSRUSA-N 478.578 2.282 30 10 JEEE C#CCN(c1nnc([C@@H]2COc3ccccc3O2)n1CCCCCOC)[C@@H]1CCS(=O)(=O)C1 1722368421 RGFWGHSJQGJVLU-NQIIRXRSSA-N 474.583 2.234 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCn1ccnc1C 1722426710 MOWIIVPCBJRLTA-HXUWFJFHSA-N 487.605 2.268 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCC(C)(F)F)CC1 1722443729 MWCQTSFOXASZAB-QFIPXVFZSA-N 453.534 2.330 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCN1CCOCC1 1722472202 ADFNGUPUQVFZLM-NBGIEHNGSA-N 488.633 2.301 30 10 JEEE C=C(Br)Cn1c(-c2cc(Br)cn2C)nnc1N1CCN2CCOC[C@@H]2C1 1722480650 SHIDPYAMMSTVIS-AWEZNQCLSA-N 486.212 2.476 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)C1CC1 1722660309 RPHWGDSWCOQTAO-REWPJTCUSA-N 493.605 2.104 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN2C(=O)OC[C@@H]2C1 1722696033 YSNICQNMKRCWGT-ZDUSSCGKSA-N 451.314 2.195 30 10 JEEE C=CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1722743159 SHBRYPWUZMBUKQ-LJQANCHMSA-N 481.582 2.121 30 10 JEEE CC(C)(C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1722878693 DPZCFVKDSZLCIC-UHFFFAOYSA-N 493.612 2.054 30 10 JEEE CO[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(c2ccccc2C#N)CC1)C(C)C 1729878088 BKJIPAVLRKANMS-TZIWHRDSSA-N 451.575 2.489 30 10 JEEE COCCN1C[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2C[C@@H](C(F)(F)F)O[C@H](C)C2)CC1=O 1730780327 CEBVIIXGCFHYAX-SUMDDJOVSA-N 492.502 2.468 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CCCC3)n2C[C@]2(O)CCN(C)C2)c1 1740564341 KBIXVNHBKBFWDE-VWLOTQADSA-N 450.587 2.134 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@H](CC(C)C)NC(=O)OCC)[C@H]1CCS(=O)(=O)C1 1740615879 MYMCTSPHKMCJJT-MSOLQXFVSA-N 467.636 2.363 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@@H]1CCCN1CC)[C@@H]1CCS(=O)(=O)C1 1740619865 LXOAFJZYUJLVTI-VQTJNVASSA-N 457.600 2.065 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@H]1CCN(CC)C1)[C@@H]1CCS(=O)(=O)C1 1740623729 AAGCIPRJSANRKV-FCHUYYIVSA-N 455.628 2.032 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2cccc(N(C)C)c2)CC1 1740708256 IUJLZQRRKMVPCC-UHFFFAOYSA-N 474.613 2.220 30 10 JEEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1740711155 IPQLVQGKLZVXIT-UHFFFAOYSA-N 497.625 2.354 30 10 JEEE C#CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 1740713263 AEANIRFJFUNAFM-INIZCTEOSA-N 464.613 2.342 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1740756901 LLUKRNNPFBRPLY-ZVDOUQERSA-N 458.607 2.294 30 10 JEEE C=C(Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](COCCOC)C1)c1ccccc1 1740801831 DGCWQKJYGQTZKF-PZJWPPBQSA-N 460.600 2.383 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@H]1c1cnn(C)c1 1740953219 YUSHOUCHPSCIMU-INIZCTEOSA-N 473.379 2.423 30 10 JEEE CC(C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@H](C(C)C)N1CCOCC1 1741369531 AKZBXDGLSFLIDY-NRFANRHFSA-N 452.607 2.352 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(CC)CC)n2Cc2cnn(C)c2)c1 1748689630 FPMMIQRJIGXHKU-UHFFFAOYSA-N 462.558 2.035 30 10 JEEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1748697783 NISZPWXOAGQRIG-UHFFFAOYSA-N 452.534 2.419 30 10 JEEE C#CCCCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1748731741 KLZDPEAJNGBDSM-HKUYNNGSSA-N 484.988 2.249 30 10 JEEE C#CCN(c1nnc([C@@H](CC)c2ccccc2)n1CCC1(O)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1748804036 CJGPUOPQHYEAQK-YADHBBJMSA-N 486.638 2.378 30 10 JEEE C#CCN(c1nnc(CC2CCCC2)n1Cc1cccc(C(=O)NCC)c1)[C@@H]1CCS(=O)(=O)C1 1748821762 VCFLAPDAPCBPLY-JOCHJYFZSA-N 483.638 2.436 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H]2CC(=O)N(CCOC)C2)CC1 1749006630 VNXYOMCETSOPNA-SFHVURJKSA-N 499.015 2.059 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2Cc2cccc(NC(=O)OC)c2)CC1 1749010608 NULHWWXUWKYUMY-UHFFFAOYSA-N 475.553 2.476 30 10 JEEE C#CCSCCn1c(COc2ccccc2OC)nnc1N1CC[C@H](N2CCCC2=O)C1 1749047843 DXGVGIAZLBRYGT-SFHVURJKSA-N 455.584 2.433 30 10 JEEE C=C(C)COCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](C(=O)OC)C1 1749228796 CWASKGCHJCXIJB-MSOLQXFVSA-N 479.578 2.179 30 10 JEEE COC[C@H](Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)C[C@H](C)C#N)OC 1749332371 AHJFMZICUKQJAB-SJORKVTESA-N 453.547 2.493 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CCC(N2CCCC2=O)CC1 1749680985 VAZUEOWAKXQVQY-UHFFFAOYSA-N 466.586 2.313 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@](C)(O)CCOC)C1 1749712150 FITTTXMYFSPANQ-KHCICDEESA-N 495.621 2.155 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1749723756 BHVZEZQXLQLVDI-GOSISDBHSA-N 473.599 2.050 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC(C)(c2nc(C)no2)CC1 1749729500 LRCAFWNOMLQYKH-UHFFFAOYSA-N 457.560 2.190 30 10 JEEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2C#N)CC1 1749744865 PRARTJRUZUQPAY-QGZVFWFLSA-N 475.644 2.006 30 10 JEEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC(C)(C)O 1752279838 AFKPJEMSSYPZSM-YQVWRLOYSA-N 468.606 2.344 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](OC)c1ccc(Cl)cc1 1760115961 CZPFRHHDOKEBBF-KFKAGJAMSA-N 482.006 2.110 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc(C)o3)n2CC2(S(C)(=O)=O)CC2)c1 1760126150 QSNWHPMMVQRNPD-UHFFFAOYSA-N 467.551 2.480 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2CCNC(=O)C(C)(C)C)c1 1760128894 VUPJKEXBVFGYQX-SFHVURJKSA-N 452.559 2.001 30 10 JEEE C#CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1760130724 OQCDIZFIFBOUKJ-UHFFFAOYSA-N 471.363 2.426 30 10 JEEE C#CCCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1760135478 XIYGWBMYAGQQTQ-MRXNPFEDSA-N 454.556 2.411 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1CC1(C)COC1)[C@H]1CCS(=O)(=O)C1 1760184344 VXTATSSVCCVGQV-INIZCTEOSA-N 464.975 2.270 30 10 JEEE C#CCN(c1nnc(-c2ccccc2F)n1CCC(=O)NC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1760185388 WNHIPDNPZWSJKW-INIZCTEOSA-N 461.563 2.016 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1CCN(C)CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1760189990 NFCHZODUJYSAFU-INIZCTEOSA-N 475.562 2.051 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1CCN(C)CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1760192296 SMCJVJBSSLDJCV-LJQANCHMSA-N 483.560 2.184 30 10 JEEE C#CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1CCOC[C@H]1C 1760243784 FDZHOVBXJOWXTO-IEBWSBKVSA-N 474.631 2.305 30 10 JEEE C#CCSCCn1c(-c2ccc(Br)cc2)nnc1N1CCS(=O)(=O)CC1 1760275664 DMNLWOGTWFBEMC-UHFFFAOYSA-N 455.403 2.309 30 10 JEEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1760313047 IANSGAPRUNXLPC-QGZVFWFLSA-N 461.364 2.464 30 10 JEEE C=C(C)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCO[C@H](CNC(C)=O)C1 1760345792 UOIOBJQLAVEZDF-RBUKOAKNSA-N 462.595 2.310 30 10 JEEE C=C(C)COCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCN(S(C)(=O)=O)CC1 1760350311 CJWLTVBDYCVWJO-UHFFFAOYSA-N 471.587 2.010 30 10 JEEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1760434403 ZJIAVEWGTKTHOU-HSZRJFAPSA-N 486.598 2.129 30 10 JEEE C=CCN(C)c1nnc(-c2ccc(Br)cc2)n1CC1(O)CCS(=O)(=O)CC1 1760457866 KGRKTAZGXIWZLJ-UHFFFAOYSA-N 455.378 2.270 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(Cc2cnc(C)s2)CC1 1760525175 WYQVOTHFJSADND-UHFFFAOYSA-N 469.590 2.397 30 10 JEEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN3CCCC[C@@H]3C2)cc1 1760529582 BXWVZMPGRVMBTK-AZUAARDMSA-N 474.631 2.176 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@]2(N(C)C)CCSC2)C1 1760549709 KXOFVCMZSZGDGO-HTAPYJJXSA-N 476.672 2.488 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1cnn(CC)c1 1760550802 JQBBFNCOPJVBGX-UHFFFAOYSA-N 482.408 2.489 30 10 JEEE CCc1nn(C)c(OC)c1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1762810254 FNJTVXKRZRGDJT-SFHVURJKSA-N 483.598 2.183 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)[C@H](C)Oc3cccnc3NC(=O)NCCN(C)C)cc21 1858807049 JOSBOHWNCJWHOI-INIZCTEOSA-N 467.526 2.326 30 10 JEEE Nc1cccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc3c(c2)OCCO3)c1 1862560349 DFEGJEAKDYBZHZ-QHCPKHFHSA-N 479.533 2.341 30 10 JEEE C=CCOc1ccccc1[C@H]1C(C(=O)NCCCNC=O)=C(N)Oc2c1c(C)nn2CC(C)C 1864318973 JUOHDJLFIFZALG-OAQYLSRUSA-N 467.570 2.359 30 10 JEEE C=CCOc1ccccc1[C@H]1C(C(=O)NCCO)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2C 1864326083 UJTZRADUJFEFKM-HXUWFJFHSA-N 476.533 2.464 30 10 JEEE N#C[C@H](c1cccs1)N1CCC(C(=O)N[C@@H](CO)C(=O)Nc2cc(Cl)ccc2O)CC1 1866868012 RNLWAWDOZGCFNA-DLBZAZTESA-N 462.959 2.500 30 10 JEEE COCCN(CCOC)C(=O)[C@@H](CCSC)NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1 1868783499 RZQFYBFXTCAJLJ-UXHICEINSA-N 496.699 2.384 30 10 JEEE N#Cc1nnn(Cc2cccc(F)c2)c1NC(=O)CN1C(=O)c2ccc(Br)cc2C1=O 1870111753 BPRYWJTVPFTAQE-UHFFFAOYSA-N 483.257 2.334 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)N(C)C[C@H]2CCCO2)cn1C[C@@H]1CCCO1 1870550171 LXMLCIHOVZQDBY-YADHBBJMSA-N 459.587 2.218 30 10 JEEE C=CCN=c1nc(N2CCN(c3ccccn3)CC2)[nH]c(=Nc2ccc(Cl)c([N+](=O)[O-])c2)[nH]1 1871575948 XUTXJFAZWTYOFJ-UHFFFAOYSA-N 467.921 2.340 30 10 JEEE C=C(Br)CS(=O)(=O)NCC1(N2CCN(C(=O)OC(C)(C)C)CC2)CCC1 1880967845 GFZRLWNCTFPKEC-UHFFFAOYSA-N 452.415 2.290 30 10 JEEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)NCc3nc(OC)nc(N4CCCC4)n3)n[nH]2)c1C 1889845209 NSWYOQLPMBTENF-UHFFFAOYSA-N 451.535 2.190 30 10 JEEE CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CCC(COc3nccnc3C#N)CC2)cc1 1892001246 GCJMTBLTXAUDNP-UHFFFAOYSA-N 457.556 2.310 30 10 JEEE C=CCNC(=O)CS(=O)(=O)CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 2019099266 YALDFQHUCGSCHI-NRFANRHFSA-N 486.546 2.085 30 10 JEEE COC[C@H](ONC(=O)OC(C)(C)C)C(=O)N(C)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2124541956 YIXAQBMPOMCLJA-KRWDZBQOSA-N 450.341 2.420 30 10 JEEE CN(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2180984235 IFCIKPCASSVQDG-LJQANCHMSA-N 461.412 2.099 30 10 JEEE CC(C)(C)OC(=O)N[C@]1(C(=O)NCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C[C@H](CO)C1 2193996092 YDOFDFFGALQLRL-SMQSCJQKSA-N 460.380 2.268 30 10 JEEE CC#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 2230883175 NQXVITVVZHDSGI-BCYZHJNNSA-N 465.591 2.273 30 10 JEEE CC(C)(C)OC(=O)NCCSCC(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2248406500 YZUNKVZVCUHLRJ-UHFFFAOYSA-N 457.427 2.316 30 10 JEEE C[C@H](O)CN(CCNC(=O)c1csc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)OC(C)(C)C 2255706989 QERSJYNSPIBRDA-AWEZNQCLSA-N 454.398 2.395 30 10 JEEE C=C(CS(=O)(=O)N[C@@H]1[C@H](NC(=O)OC(C)(C)C)C[C@H]1OCC)B1OC(C)(C)C(C)(C)O1 2255796179 MRVFNOJIVAHHSG-BZUAXINKSA-N 460.402 2.164 30 10 JEEE C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccc(B2OC(C)(C)C(C)(C)O2)s1 2256616626 CWJDFRLOQVHBMV-CJNGLKHVSA-N 454.398 2.280 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(CNC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)O)s1 2256622256 FICITOZCQJKFQF-CZUORRHYSA-N 454.398 2.246 30 10 JEEE Cc1cc(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 2267159589 JXHPSUBEVLWJON-ZBFHGGJFSA-N 466.409 2.313 30 10 JEEE Cc1nc(C(=O)N(CCO)CCCNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2267244047 DVARIAASMSYQJN-UHFFFAOYSA-N 469.413 2.100 30 10 JEEE COCC[C@H](CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)NC(=O)OC(C)(C)C 2267378175 KOYHEGZCGMDAKY-CQSZACIVSA-N 490.453 2.255 30 10 JEEE CC(C)(C)OC(=O)NC[C@@]1(O)CCCN(C(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267486105 KKWWETSQMJBFKO-QFIPXVFZSA-N 450.341 2.071 30 10 JEEE Cn1nc(C(=O)NCC2CC(NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2267494311 RIGXAQJLWGLZAA-UHFFFAOYSA-N 468.791 2.406 30 10 JEEE CC(C)(C)OC(=O)NC[C@@]1(F)CC[C@@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2268644899 NNXXISXZFRCAQW-MPBGBICISA-N 470.376 2.231 30 10 JEEE Cc1c(C(=O)N=[S@](C)(=O)C[C@H](C)NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281984073 CGAHKJMBVAHEQX-ADAWPZLVSA-N 484.428 2.179 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@@H](CNC(=O)OC(C)(C)C)C1(C)C 2282036743 MRQXADSGYLKBKO-HNNXBMFYSA-N 462.400 2.485 30 10 JEEE CN(CCN1CCN(C(=O)OC(C)(C)C)CC1)C(=O)c1occc1B1OC(C)(C)C(C)(C)O1 2282042818 JFWTWOBLLURQCN-UHFFFAOYSA-N 463.384 2.204 30 10 JEEE Cc1c(C(=O)NC2CC(CCNC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282054916 WYRYPYNJPWSFAT-UHFFFAOYSA-N 462.400 2.451 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(C)C1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 2282591318 OMJOSOUEKRYCSO-GJZGRUSLSA-N 460.384 2.140 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2SC)n1 2282601206 ZZVUTPBLOFWQMT-HZPDHXFCSA-N 480.440 2.283 30 10 JEEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C(C)(C)C1 2282683692 GXVVFGMNYBIQFT-AWEZNQCLSA-N 463.388 2.022 30 10 JEEE 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)c1 2282699613 KETNIVCJAZTJHJ-MOPGFXCFSA-N 460.380 2.394 30 10 JEEE CC(C)(C)OC(=O)NC1(CNC(=O)c2cc(F)c(B3OC(C)(C)C(C)(C)O3)cc2F)COC1 2282706959 SOGHIUNHGZBJPW-UHFFFAOYSA-N 468.306 2.288 30 10 JEEE CC(C)(C)OC(=O)NC[C@@]1(O)CCCN(C(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282710212 LLCYNSCEUXKCLQ-DEOSSOPVSA-N 460.380 2.478 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCCN(CC(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)C1 2283952920 NEVIAQIBEIHGDZ-INIZCTEOSA-N 460.384 2.308 30 10 JEEE CC(C)(C)OC(=O)NC[C@]1(O)C[C@H](C(=O)NCc2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2283960426 XUKLNDYAZPUSBW-WVQHILGCSA-N 460.380 2.268 30 10 JEEE CO[C@@H](CNC(=O)OC(C)(C)C)C(=O)N1CCc2cc(B3OC(C)(C)C(C)(C)O3)ccc2C1 2283968436 KPPQZHZSIBAHPH-IBGZPJMESA-N 460.380 2.410 30 10 JEEE CC(C)(C)OC(=O)N1C[C@]2(F)CCC[C@@]2(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2284051503 OXPSDYQROMYLQN-LEWJYISDSA-N 482.387 2.327 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)CC[C@H]1C(=O)NCc1ccccc1B1OC(C)(C)C(C)(C)O1 2284058589 OABCFIGIEBVNRH-HKUYNNGSSA-N 460.380 2.362 30 10 JEEE COc1ccc(C=NNc2nc3c(c(O)nc(=O)n3C)n2C[C@H](O)COc2ccc(C)cc2)cc1 2327754166 PGHWTNWFMCAGJG-KRWDZBQOSA-N 478.509 2.039 30 10 JEEE COC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2scc(B3OC(C)(C)C(C)(C)O3)c2C1 2336500095 WINJMUUFFVBWMV-INIZCTEOSA-N 466.409 2.472 30 10 JEEE COC[C@]1(C(=O)N2CC[C@H](B3OC(C)(C)C(C)(C)O3)C2)CN(C(=O)OC(C)(C)C)CCO1 2342564198 HIRHTIPHHUPZHL-AOMKIAJQSA-N 454.373 2.334 30 10 JEEE CCO[C@@H]1CN(C(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)C[C@H]1CNC(=O)OC(C)(C)C 2359267044 LOXRZDZLEGKNIV-GDBMZVCRSA-N 481.424 2.444 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H](NC(=O)OC(C)(C)C)C2(CCC2)C1 2362352756 FYKLLTGLRZXQKC-HNNXBMFYSA-N 460.384 2.239 30 10 JEEE C[C@H](NC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1)C1(O)CCN(C(=O)OC(C)(C)C)CC1 2362504504 CWDZEUZZCGTCJS-AWEZNQCLSA-N 481.424 2.323 30 10 JEEE CC(C)(C)OC(=O)N1CCOCCN1C(=O)c1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1O 2364887879 VHGZGPGGWINEEN-UHFFFAOYSA-N 466.315 2.455 30 10 JEEE Cc1c(C(=O)N[C@@H]2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2366854644 TWKPAAOIROHOFT-HRCADAONSA-N 460.384 2.155 30 10 JEEE Cc1cc(CN2CCN(C)C[C@H]2CNC(=O)C(F)(F)F)ccc1B1OC(C)(C)C(C)(C)O1 2369726712 GPBDQJABFDJHCV-QGZVFWFLSA-N 455.330 2.089 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)Nc3ccc(N4CCN(CC)CC4)cc3)cc2C1=O 16281279 PGDWNKCEPMEKNT-UHFFFAOYSA-N 476.533 2.406 30 10 JEEE C[C@H](OC(=O)CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O)C(=O)Nc1sc2c(c1C#N)CCC2 21947449 DZYMYCHHMAUUIW-MZFXBISCSA-N 458.540 2.479 30 10 JEEE Cc1c(C#N)c(O)nc(=O)n1-c1cc(I)cc(I)c1 705728471 IEDGEYLAUVUTPU-UHFFFAOYSA-N 479.015 2.327 30 10 JEEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccc2c(c1)CCC2 729669585 RAIIOKPVOIOODO-UHFFFAOYSA-N 469.570 2.063 30 10 JEEE C#C[C@@H](NC(=O)N1CCN(CC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1)[C@H]1CCCO1 1234626005 IQCOOWKMWKVBEG-QZTJIDSGSA-N 454.449 2.032 30 10 JEEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H](C)CN1CCN(CC)CC1 1286358958 OVGZRWNVVQPRAK-IBGZPJMESA-N 472.037 2.205 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1cccc(N(C)C)c1)[C@@H]1CCS(=O)(=O)C1 1286386589 DHKCCTCVSJPTRM-HXUWFJFHSA-N 450.568 2.081 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H](CC(C)C)NC(=O)OCC)[C@@H]1CCS(=O)(=O)C1 1286387929 WUQXHJGSNJTLNS-RTBURBONSA-N 490.630 2.071 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1Cc1ccccc1-n1ccnc1)[C@H]1CCS(=O)(=O)C1 1286395626 RZAQJZIVFVWVED-FQEVSTJZSA-N 452.584 2.337 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@]2(N(C)C)CCC[C@@H](C)C2)CC1 1286485719 VRMVNUKFGDGIOW-HXKBJWFLSA-N 458.651 2.268 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCC(NC(=O)COC)CC1 1286561478 NRRAINQHRIFPDT-GCJKJVERSA-N 454.575 2.361 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ccc(N(C)C)cc2)CC1 1286664495 XVFKJJDENXBNBX-JOCHJYFZSA-N 488.658 2.322 30 10 JEEE C=CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1286770072 PGKPJAFXFXHSQS-UHFFFAOYSA-N 459.620 2.427 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(Cl)s1 1286773022 HITAMIBJWWBKPE-HNNXBMFYSA-N 476.024 2.013 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 1286782165 MGHLJMIMCGAEGT-GOSISDBHSA-N 467.530 2.340 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1286820450 LRASGJCYWULNTE-MOPGFXCFSA-N 475.619 2.016 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C 1286967175 CIALATGWNVEFSQ-PMPSAXMXSA-N 454.597 2.031 30 10 JEEE CCN1CCN([C@@H]2CCN(c3nnc(-c4cccc(C#N)c4)n3CCS(=O)(=O)C(C)(C)C)C2)CC1 1296178567 AHRTVJXEFIXGRT-JOCHJYFZSA-N 499.685 2.246 30 10 JEEE CCO[C@]1(c2nnc(N(C)Cc3cccc(C#N)c3)n2CCC2(O)CCOCC2)CCOC1 1296538046 GAQZEFNSZDPUOV-XMMPIXPASA-N 455.559 2.370 30 10 JEEE COc1cc(-c2nnc(N(C)[C@H](C)CC#N)n2CC(=O)NCC(F)(F)F)cc(OC)c1OC 1299835997 IAOMFEOYZRYZFJ-GFCCVEGCSA-N 470.452 2.388 30 10 JEEE COc1ccc(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)C[C@H](C)C#N)cc1Br 1300141752 BWSLHPPWGCIDRG-ZIAGYGMSSA-N 499.435 2.498 30 10 JEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 1300410561 PALFIGFJUQYEOZ-VQIMIIECSA-N 474.562 2.133 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H](C)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1300483252 JVBCGFNYZBFWMV-PXNSSMCTSA-N 474.587 2.210 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1Cc1ccc(F)cn1)[C@@H]1CCS(=O)(=O)C1 1300498018 FZQWZOUNSXCOHQ-QGZVFWFLSA-N 475.496 2.356 30 10 JEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2ccc(OC)c(F)c2)CC1 1300733096 RYRGZUZDTVEYLM-UHFFFAOYSA-N 474.606 2.253 30 10 JEEE C=C(Br)Cn1c([C@H]2CCOC2)nnc1N1CCN(CC(=O)NCc2ccccc2)CC1 1300848578 GXSTVFWOVHGFQB-IBGZPJMESA-N 489.418 2.129 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccnc2)nnc1N1CCC(C(=O)NCCOC)CC1 1300881476 OICUIBCEOWZXDS-NHCUHLMSSA-N 454.575 2.300 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1300884938 NBGMEWGPUAAJDN-WTGUMLROSA-N 477.606 2.493 30 10 JEEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCN(c2nccc(OCC)n2)CC1 1300972170 HVYASJZJLCTEMZ-ICSRJNTNSA-N 457.579 2.484 30 10 JEEE C=C(Cl)Cn1c(N2CCN(CC(=O)N[C@@H]3CCC[C@@H](C)C3)CC2)nnc1[C@]1(OCC)CCOC1 1301060535 HLKKXIHSICLFOL-FPGHNAPASA-N 495.068 2.500 30 10 JEEE C=C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1301095700 MJMMQDIFFLFIKB-FCQUAONHSA-N 459.510 2.412 30 10 JEEE C=CC[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H]1CCS(=O)(=O)C1)c1ccccc1 1301165252 FOTGHXUZUFNOQT-AQNXPRMDSA-N 478.640 2.163 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1CCC(OC)CC1 1301389873 CNLFOAUPMMRFFB-SFHVURJKSA-N 451.637 2.248 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CCN(C(=O)C(C)C)CC1 1301514881 NTTTWKRDYBHOQQ-UHFFFAOYSA-N 454.575 2.026 30 10 JEEE CC(C)(C)C(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCSC2)CC1 1302000016 DTLNLWALVMFTDH-HSZRJFAPSA-N 454.600 2.379 30 10 JEEE C#CCCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(C(=O)NC)CC1 1358906521 JYSLXUPINLRGHA-UHFFFAOYSA-N 456.547 2.236 30 10 JEEE C#CCN(c1nnc(CC)n1C[C@@H]1CC2(CC2)CN1C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1358963792 OEKQBCRCVJZDKU-ROUUACIJSA-N 477.631 2.257 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc(Cl)cc3)n2Cc2cnnn2C)n1 1359027697 SPMBSOWZGGDUKA-UHFFFAOYSA-N 465.949 2.258 30 10 JEEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)CC1 1359037065 UINHEMJGTYXNTN-IBGZPJMESA-N 453.591 2.275 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Br)c3)n2CC[S@@](=O)CC)CC1 1359041973 NPTQNTGZBSPTPK-PMERELPUSA-N 492.443 2.442 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C(=O)NCCCC)CC[C@H]1C 1359056226 AVUSRVLPZUJIEP-GUDVDZBRSA-N 481.688 2.068 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1359100390 AWTVGTUTFIIMOF-IRLDBZIGSA-N 474.631 2.011 30 10 JEEE C=C(Cl)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@H](S(C)(=O)=O)C1 1359148852 FLFKYKKPZDPFJH-AWEZNQCLSA-N 462.963 2.051 30 10 JEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccs2)CC1 1359227633 GYSITAPVOLEVBW-KRWDZBQOSA-N 451.618 2.161 30 10 JEEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 1359305266 XTUKAIWQQFYYAC-UHFFFAOYSA-N 461.954 2.020 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H]2CCS(=O)(=O)C2)C1 1359317302 GIPORKLLSSLTSH-AEFFLSMTSA-N 462.572 2.178 30 10 JEEE CC(C)C[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1)N(C)C 1359771835 FDHYBTJXVQPZRK-RTWAWAEBSA-N 480.617 2.261 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CCC(Oc3cncc(Cl)n3)CC2)C1 1478402963 GVGJMIRTWXXQJU-DZGCQCFKSA-N 450.927 2.442 30 10 JEEE CC[C@H](C)[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1494868690 BLHMVFHZSQOEOE-CTIGNXTNSA-N 466.586 2.441 30 10 JEEE CS(=O)(=O)c1cccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCC(=O)N2CCCCC2)c1 1505121046 DIJCFJAQWQKCED-QFIPXVFZSA-N 474.562 2.193 30 10 JEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1507574698 BEUBYSQQXYASCR-INIZCTEOSA-N 483.516 2.267 30 10 JEEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CC(=O)NC(C)(C)C 1507588259 HYXJKIGSWAISHT-QGZVFWFLSA-N 462.595 2.351 30 10 JEEE C#CCN(c1nnc(C)n1Cc1ccc(OC(F)F)c(OCC)c1)[C@@H]1CCS(=O)(=O)C1 1507624711 CYCJNXVJMSSRTO-MRXNPFEDSA-N 454.499 2.262 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCN1CCCCCC1=O 1507652738 NFOOWXKZTYDZRH-OAQYLSRUSA-N 498.628 2.452 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCc2ccc(C)c(OC)c2)CC1 1507738768 XWPGQGMIAQPCGF-UHFFFAOYSA-N 459.554 2.261 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H]2CCCN(CC(C)C)C2)CC1 1507739726 UWPGHZQPFOPPLH-RBBKRZOGSA-N 456.635 2.116 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(OC)cc3)n2Cc2cnn(CC)c2)CC1 1507740502 NEMOWHMPROXQNK-UHFFFAOYSA-N 477.569 2.096 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2oc(CC)nc2C)CC1 1507740831 PWSWQBROGYGAIN-UHFFFAOYSA-N 464.574 2.013 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCCN(CCC)C(=O)C2)nnc1[C@@]1(OCC)CCOC1 1507808145 GMQHRGWGXZNCEW-NHCICSSKSA-N 461.607 2.360 30 10 JEEE C=CCCOCCn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1507963016 ZPZVLMQJFBUDMB-LJQANCHMSA-N 460.604 2.246 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1CC1(CCOC)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1539215873 KSJZZNSYFJBLQP-LJQANCHMSA-N 472.615 2.349 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnccn3)n2Cc2ccncc2Cl)n1 1539424083 KMODSDUHRMIKDQ-UHFFFAOYSA-N 463.933 2.315 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc4c(s3)CC[C@H](C)C4)n2CCCS(C)(=O)=O)CC1 1539437601 GBOUYBHZJKYQPK-KRWDZBQOSA-N 461.657 2.321 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccccc3F)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC1 1539440783 AKIBPRVJLKRVPC-LJQANCHMSA-N 466.483 2.103 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1539490747 HMQVMQFDVHQBIQ-UONOGXRCSA-N 454.478 2.448 30 10 JEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](Nc2ccccc2)C1 1539497015 JHDZFWPZEHCAPU-PKOBYXMFSA-N 462.645 2.336 30 10 JEEE C=C(C)COCCn1c(N2CCN(C(=O)OC)[C@@H](C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1539759647 JVGJDZWGLAGGAB-PGRDOPGGSA-N 451.568 2.188 30 10 JEEE C=C(Cl)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1539782833 DHROPGIBEOZBGR-FQEVSTJZSA-N 459.894 2.420 30 10 JEEE C=C(Cl)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](OC)[C@H](OC)C1 1539803157 FSTBARKULQKWGL-OAGGEKHMSA-N 457.959 2.189 30 10 JEEE C=CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](COC)C1 1540004890 HWPSOZHPGZJTKC-MSOLQXFVSA-N 451.568 2.404 30 10 JEEE C=CCCOCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@H](NC(C)=O)C1 1540034271 ZCDSEDNFCNYPRE-KRWDZBQOSA-N 451.531 2.292 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H]1COCCO1 1540121335 KEKJBUUYAQJITO-XUZZJYLKSA-N 453.543 2.410 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)C[C@H]1CCCCO1 1540904847 OVLCKDCYOYPFLA-XLIONFOSSA-N 462.572 2.397 30 10 JEEE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)CN2CCOCC2)C1 1540937886 HAYUMICJUHWKQM-DENIHFKCSA-N 465.602 2.090 30 10 JEEE COC1CCN(C(C)(C)Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@H](C(N)=O)C2)CC1 1555158197 BPDSQVMYIVZWHG-LJQANCHMSA-N 451.575 2.018 30 10 JEEE N#Cc1c(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H](CCC(=O)O)N[C@@]32C(=O)Nc3ccccc32)sc2c1CCCC2 1565531768 HQXWOTGBDHTKKO-DOJBHFIGSA-N 490.541 2.288 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CC1(O)CCS(=O)(=O)CC1 1587563147 YIVRUKCHBPSKAE-MJGOQNOKSA-N 460.600 2.433 30 10 JEEE C#CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1587803857 OMKHMWLVAFPPMM-IBGZPJMESA-N 458.588 2.079 30 10 JEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(N2CCc3ccccc32)CC1 1587809043 XWVPTOABVSYPPH-GOSISDBHSA-N 456.616 2.333 30 10 JEEE C#CCN(c1nnc(-c2cccc3cccnc23)n1C[C@H](C)COC)[C@H]1CCS(=O)(=O)C1 1588046056 WEAWQIPLIXQWOW-HKUYNNGSSA-N 453.568 2.403 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCC1CC(OCC)C1)[C@@H]1CCS(=O)(=O)C1 1588055773 ZAURDEIIYFYHFE-WBFXSEPVSA-N 450.605 2.004 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cccc(C(=O)NC)c1 1588139211 NOSJACRPGKYREQ-OAQYLSRUSA-N 492.580 2.067 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2([S@](C)=O)CCC2)CC1 1588898955 IWWNJOUDECCZCZ-XIFFEERXSA-N 464.595 2.084 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CCOC)[C@@H](CCC)C1 1589485002 WZQKWFMAGAMWQZ-FKBYEOEOSA-N 474.650 2.432 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1589567242 CFTZNSDCSMHVHC-SFLYRZDNSA-N 469.586 2.488 30 10 JEEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1593885157 LIVIDAMEQLXZJZ-SOUVJXGZSA-N 469.926 2.453 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1595576902 BGLREMLHPDQNCN-IBGZPJMESA-N 475.615 2.180 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2nc3c(s2)C[C@H](C)CC3)C1 1595673945 LRWXFEOHVFRFSQ-OWCLPIDISA-N 480.660 2.299 30 10 JEEE CC(C)NC(=O)c1nnc(N(C)C[C@H](C)C#N)n1Cc1ccccc1CN1CCC(O)CC1 1596781409 BDERMJILYWBBLC-GOSISDBHSA-N 453.591 2.017 30 10 JEEE CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N2CCCCCC2)CC1 1618826381 BYDGUZLKZBAMDN-UHFFFAOYSA-N 464.574 2.071 30 10 JEEE CSCc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)cc1 1620246731 FUAFHXDJGPLDHW-KUHUBIRLSA-N 452.581 2.242 30 10 JEEE N#Cc1cccc(NC(=O)C2CCN(C(=O)N[C@H]3CCCN(CC(F)(F)F)C3=O)CC2)c1 1633392405 DJHKKODMRSMBPB-KRWDZBQOSA-N 451.449 2.472 30 10 JEEE C#CCN1CCN(C(=O)CSc2nnc(N3C[C@@H](C)C[C@@H](C)C3)n2Cc2ccco2)CC1 1640822922 GIOLUSHEQQOYPW-KDURUIRLSA-N 456.616 2.271 30 10 JEEE C=CCNS(=O)(=O)c1ccc(C(=O)NCCCS(=O)(=O)c2ccc(Cl)cc2)cc1 1641762223 FWVDTYIZIPAESC-UHFFFAOYSA-N 456.973 2.398 30 10 JEEE N#Cc1ccc(CN2CC[C@@H](NS(=O)(=O)c3ccc(C#N)c(Br)c3)C2=O)cc1 1661765655 IFHMLBCIAFKBDW-GOSISDBHSA-N 459.325 2.272 30 10 JEEE C#C[C@H](NC(=O)N1CCCC[C@@H]1CNC(=O)CCNC(=O)OC(C)(C)C)C1CCOCC1 1684188836 YDLVTRYFFJQFRC-MOPGFXCFSA-N 450.580 2.010 30 10 JEEE C#CCCCn1c(N2CCN(C(=O)c3ccccn3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1689941953 YLPXQMTVMRJENB-DEOSSOPVSA-N 452.559 2.090 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@]1(C)CCCO1)[C@H]1CCS(=O)(=O)C1 1689996244 FVSDNPARIIIITA-AVRDEDQJSA-N 462.547 2.192 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@H](C)CN2CCOCC2)CC1 1690115252 YPRLFGVMPGOQEY-IBGZPJMESA-N 474.556 2.270 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2C[C@]2(O)CCSC2)CC1 1690148643 NTPFHHHBLQCRBT-XMMPIXPASA-N 453.612 2.011 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)CC1 1690154164 JMPHTMVGPVYCEW-PKOBYXMFSA-N 474.606 2.351 30 10 JEEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 1690308217 GDJWXXQMOCLAMJ-SFHVURJKSA-N 454.531 2.342 30 10 JEEE C=CCCCn1c(COc2ccccc2OC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1690493404 HGCMXTVDOSWLCA-KRWDZBQOSA-N 454.531 2.305 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c(-c2cccn2C)nnc1N1CCN2C(=O)NC[C@H]2C1)C(C)C 1690580677 CZWPJMNXKZXARS-PZJWPPBQSA-N 452.607 2.196 30 10 JEEE C[C@H](CC#N)N(C)c1nnc(-c2ccc(F)cc2Br)n1CCS(=O)(=O)N(C)C 1692655616 HPAAKKLWRKTUSQ-GFCCVEGCSA-N 473.372 2.476 30 10 JEEE CCN(CC)C(=O)CN1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCO2)CC1 1695588786 HQOYVLZSUDGWIT-QFIPXVFZSA-N 465.602 2.376 30 10 JEEE CCn1nc(-c2nnc(N(C)C[C@H](C)C#N)n2C[C@](C)(O)CCOC)c2ccccc2c1=O 1695898632 BAGXFYJMEBYVOC-WAIKUNEKSA-N 453.547 2.058 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccc(C)cc1SC)[C@@H]1CCS(=O)(=O)C1 1705565768 JZVFKLHRTZNVQD-RTBURBONSA-N 460.625 2.487 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1705606961 LZTQWMQDPDBDAC-WOJBJXKFSA-N 488.658 2.154 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2Cc2ccc(NC(C)=O)nc2)CC1 1705646388 DTVMQIKIOHEODN-UHFFFAOYSA-N 461.526 2.214 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2Cc2ccc(OCCC)nc2)CC1 1705649718 DNEDNUIFHGYZLU-UHFFFAOYSA-N 473.581 2.462 30 10 JEEE C=C(Cl)Cn1c(N2CCC[C@H](CN(C)S(C)(=O)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1705760720 QISJRYSPQSGTFT-XLIONFOSSA-N 476.043 2.179 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@H](C)C1)C(C)C 1705869256 QBBOGHRLLVUVIL-MHTWAQMVSA-N 465.664 2.492 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1705895888 WHISRMWKZHYDEX-QRQCRPRQSA-N 463.485 2.233 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1705933101 UMEYEQNKBNFDHB-HXUWFJFHSA-N 474.562 2.479 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1705933977 XVFLOWFLVAKPPH-UHFFFAOYSA-N 481.022 2.289 30 10 JEEE CC(C)CCN(CCC#N)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCC(=O)N(C)C 1706461512 CXZDUIJISHXAPL-UHFFFAOYSA-N 464.574 2.436 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@]2(O)CCN(C)C2)c1 1722306810 OHSBCQHQMFRCCH-CIXCFARBSA-N 494.640 2.320 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCCOCC1CC1)[C@@H]1CCS(=O)(=O)C1 1722360606 VLPDFQLSIBDFGI-OAQYLSRUSA-N 453.568 2.260 30 10 JEEE C#CCN(c1nnc(-c2ccccc2F)n1CCN1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1722361273 GPOJMIZMPKVCEV-RBUKOAKNSA-N 459.591 2.443 30 10 JEEE C#CCN(c1nnc([C@H]2COc3ccccc3O2)n1CCCOCC(C)C)[C@H]1CCS(=O)(=O)C1 1722364908 BPVVPPADZPQIQJ-SIKLNZKXSA-N 488.610 2.480 30 10 JEEE C#CCN(c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H](CCC)OC)[C@@H]1CCS(=O)(=O)C1 1722368931 UNXPABRBDNMJPD-IAGOWNOFSA-N 484.582 2.036 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@H]1CCOC[C@@H]1OC 1722375646 RIIKGBZUKYYUKB-UTKZUKDTSA-N 454.527 2.095 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1ccccn1 1722427722 YNKNJUZEHLEAMP-HXUWFJFHSA-N 470.574 2.310 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCC(=O)N3)n2Cc2cc(C(C)(C)C)no2)n1 1722428864 CFKDDGABQBNVAF-LJQANCHMSA-N 480.573 2.046 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H](CC)OC)CC1 1722443693 ZLEQYDLDOYBFCJ-IBGZPJMESA-N 455.559 2.353 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CC2(C(N)=O)CCCC2)CC1 1722450729 OYJKYGYCHSIKSU-UHFFFAOYSA-N 492.624 2.485 30 10 JEEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCN(c2nc(C)cc(OCC)n2)CC1 1722461667 UCRVBGDFVSKPKL-UHFFFAOYSA-N 478.626 2.454 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CC[C@]2(CCOC2)O1 1722661648 MSSXURILKUWXOV-XGHQBKJUSA-N 481.644 2.481 30 10 JEEE C=CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1722685813 NOYHSNFBBOVTJA-OAQYLSRUSA-N 454.575 2.357 30 10 JEEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCCN(c2nc(CC)ns2)CC1 1722701137 HHWNCAJTRPHKML-UHFFFAOYSA-N 458.636 2.444 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccnc(OCC(F)(F)F)c2)C1 1722715517 TVWCCBVDSIEYGK-CVEARBPZSA-N 466.464 2.395 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N(C)CC(=O)Nc1c(C)cc(C)cc1C 1722726511 CIDPSKLDEJOOKH-UHFFFAOYSA-N 483.598 2.336 30 10 JEEE CC(C)COc1cccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@H](C)C#N)c1 1723487358 DABFIYVFYHKEGZ-WIYYLYMNSA-N 490.630 2.290 30 10 JEEE CCN(c1nnc(COc2ccc(C#N)cc2)n1Cc1cnccc1OC)[C@@H]1CCS(=O)(=O)C1 1728324442 CKRHXOYVRXGYND-LJQANCHMSA-N 482.566 2.194 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1740533248 ALJSEYKBKQHJGW-LVXARBLLSA-N 481.645 2.362 30 10 JEEE C#CCCCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1740585124 ODHVXUTVDGUIPO-FQEVSTJZSA-N 496.612 2.403 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@H](CC)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1740619626 KOQZSAGRSZJKPP-RBUKOAKNSA-N 477.034 2.495 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](C)c2ccc(C)cc2)CC1 1740701233 ZCPZLOSBIMSXKH-LJQANCHMSA-N 450.587 2.494 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCOC[C@@H]2CCOC2)CC1 1740701885 RGYYRNOUYVNZHA-SFHVURJKSA-N 487.004 2.403 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCN(C)Cc2ccccc2)CC1 1740706428 XPCQNIRNBUXDME-HSZRJFAPSA-N 464.614 2.270 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCOc2ccc(OC)cc2)CC1 1740708296 KTFIXAIJYIVRLP-UHFFFAOYSA-N 491.596 2.193 30 10 JEEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(c2nccs2)CC1 1740742817 CKQYMEBKUFRYFW-CYBMUJFWSA-N 452.382 2.311 30 10 JEEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1740786696 METXJONJHDQRIB-JPYJTQIMSA-N 456.547 2.292 30 10 JEEE CO[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1)C(C)C 1748423518 DZMCSPWASYTZMU-YADHBBJMSA-N 465.602 2.231 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CC=CCC2)c1 1748691928 OUXZTCRJWQSLQK-PKOBYXMFSA-N 470.599 2.301 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@H](C)c1nccs1)[C@H]1CCS(=O)(=O)C1 1748819431 OMQFHHXTAAEMLE-WMZOPIPTSA-N 456.597 2.151 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CN(CC(C)C)CCO1 1748914199 BLBSKSQYMGGGLN-NRFANRHFSA-N 488.658 2.012 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@]1(O)CCC[C@H]1C 1748960256 FOLBWOIPQQHCLV-CJAUYULYSA-N 464.570 2.312 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@H]2CC=CCO2)CC1 1749019206 OWUKMUKYLGBGJC-OAQYLSRUSA-N 453.518 2.307 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1C(F)(F)C12CCC2 1749159145 PRKWBCDCWDFLTQ-HOTGVXAUSA-N 459.563 2.449 30 10 JEEE C=CCCOCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1749447591 IHKVWVNAJYLXSV-FQEVSTJZSA-N 490.586 2.450 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(O)CCC[C@H]1C 1749554177 PZFDJIYFVHXSLC-LZNRXBQRSA-N 495.671 2.416 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N(C)CC1COC(C)(C)OC1 1749660022 MIXHVLJLCJYXII-UHFFFAOYSA-N 459.547 2.100 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC(C(=O)c2ccc(O)cc2)CC1 1749731020 ZCCPNRWQLALGBS-UHFFFAOYSA-N 484.582 2.084 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1CC1(CCOCC)CCC1)[C@@H]1CCS(=O)(=O)C1 1760188174 MYPNQJJHCMGHBT-RBUKOAKNSA-N 450.605 2.006 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@@]1(C)CN(C)C1=O 1760245350 ABDXZDIWRCUBKP-OAQYLSRUSA-N 476.375 2.281 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCN2CCC[C@H](C)C2)CC1 1760258024 FGNUIBFFLAOHET-FQEVSTJZSA-N 452.603 2.449 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2CC[S@@](=O)CC)CC1 1760268617 MTIOQPJMXJRFOB-UMSFTDKQSA-N 480.594 2.335 30 10 JEEE C=C(Br)Cn1c(Cn2nc(C)cc2C)nnc1N1CCOC2(CCOCC2)C1 1760310347 CAPHXYGCPWFXRZ-UHFFFAOYSA-N 451.369 2.434 30 10 JEEE C=CC1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1760397842 DKILLIWZGACRHC-KNQAVFIVSA-N 467.636 2.145 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCOC[C@H]1C 1760485023 QBJCMYKCVMZUJB-UYAOXDASSA-N 477.606 2.233 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC(=C)CC1 1760557793 WJQFKXJIHFKRFQ-UHFFFAOYSA-N 484.670 2.400 30 10 JEEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)CC12CCCCC2 1760606372 FZVASDYWVBEZRI-UHFFFAOYSA-N 499.641 2.127 30 10 JEEE CC(C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(CCS(C)(=O)=O)C1CC1)N1CCOCC1 1760873249 ADLQERVQDQLREC-QFIPXVFZSA-N 486.642 2.187 30 10 JEEE CC[C@H](C)NC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C(=O)OC)C1 1762050186 BUERONIESYMHFX-FUHWJXTLSA-N 454.531 2.033 30 10 JEEE CCN1CCC[C@@H]1Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCO[C@H](C#N)C1 1765433473 HKFRRVBWZMMMHC-QZTJIDSGSA-N 456.547 2.184 30 10 JEEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H](c2ccc(F)cc2)N(C)C)CCOC1 1765921358 DHIUSSWGOFSZGO-MIZPHKNDSA-N 458.538 2.101 30 10 JEEE COc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2CCCNC=O)cc1O 1862575435 WPJZKJBHCFISSD-OAQYLSRUSA-N 470.478 2.132 30 10 JEEE COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2CCNC(C)=O)cc1 1862644792 TXEAOCWYOHHGBN-FQEVSTJZSA-N 470.453 2.335 30 10 JEEE C=CCN(CC=C)c1nc(=NC(=O)c2ccc(N3C[C@@H](C(=O)O)CC3=O)cc2)n(C(C)(C)C)[nH]1 1870000327 MLZZNYHQGVTZMJ-KRWDZBQOSA-N 466.542 2.323 30 10 JEEE Cc1ccc(S(=O)(=O)Nc2c(C#N)nnn2Cc2cc([N+](=O)[O-])cc3c2OCOC3)cc1C 1870095356 GFJWGJMSBKQMHE-UHFFFAOYSA-N 470.467 2.390 30 10 JEEE CCN(CC)CCNC(=O)c1ccc(-n2nnc(C#N)c2NC(=O)COc2ccccc2)cc1 1870147925 NBKCJFCDZMTFKZ-UHFFFAOYSA-N 461.526 2.228 30 10 JEEE CN(C)CCCn1cc(OCC(=O)Nc2sc3c(c2C#N)CCC3)c(=O)cc1CN1CCOCC1 1870324749 XXDQZKNVLBXGKU-UHFFFAOYSA-N 499.637 2.072 30 10 JEEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)N3CCN(Cc4nnnn4-c4ccccc4)CC3)n[nH]2)c1C 1891253508 LOQTXHLKSFSJSR-UHFFFAOYSA-N 486.584 2.400 30 10 JEEE CC1(C)OB([C@@H]2[C@@H]3CN(S(=O)(=O)C[C@](C)(F)CN4C(=O)c5ccccc5C4=O)C[C@@H]32)OC1(C)C 2046025335 IMHLKAUZEQGVMS-OIMFZILRSA-N 492.378 2.365 30 10 JEEE COCCN1C(=O)C(=Cc2c(C)c(C#N)c(=O)n(C)c2N2C[C@H](C)O[C@H](C)C2)SC1=S 2053510708 ORDSXEVMFWMMHP-BETUJISGSA-N 462.597 2.027 30 10 JEEE CC(C)(C)OC(=O)NCCC(CCNC(=O)OC(C)(C)C)NS(=O)(=O)N1CCC(C#N)CC1 2140765090 SKVWHVGTOGUUOB-UHFFFAOYSA-N 489.639 2.255 30 10 JEEE C#CCC[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 2230859297 QVHFDHUWDUOOKQ-LFDJNIOPSA-N 465.591 2.273 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@](O)(CNC(=O)c2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2255642840 MHKWIFQLKQMSAU-OAQYLSRUSA-N 452.382 2.149 30 10 JEEE CN(CCCNC(=O)OC(C)(C)C)C(=O)c1nn(C)c(Cl)c1B1OC(C)(C)C(C)(C)O1 2255819831 HMKUOTQGQNTBHU-UHFFFAOYSA-N 456.780 2.360 30 10 JEEE C=C(CS(=O)(=O)N1C[C@@H](OC)C[C@@H]1CNC(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2255955148 JJHUIANSOLBDHD-CVEARBPZSA-N 460.402 2.118 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@H]1CNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2255955661 RKNYZIOUZPGIHE-GJZGRUSLSA-N 472.438 2.380 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@@H]1CCC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2256613888 KGFICRKBRZQEJR-CYBMUJFWSA-N 452.386 2.377 30 10 JEEE C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1cscc1B1OC(C)(C)C(C)(C)O1 2256626177 GXGBSNAPVAJMKK-WWGRRREGSA-N 454.398 2.499 30 10 JEEE CO[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2267191677 GKYRLYTVDIUPGB-KBPBESRZSA-N 467.397 2.197 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCN(S(=O)(=O)c2ccc(F)c(B3OC(C)(C)C(C)(C)O3)c2)C1 2267472976 YOOMFVGMCVFLBP-AWEZNQCLSA-N 470.372 2.413 30 10 JEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)c1C 2267507805 UYNZOGVOUDUCPV-GJZGRUSLSA-N 466.409 2.374 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CCC[C@@H](OCc2ccccc2)C1 2267721005 NIPHTJXWLFAYKS-GOSISDBHSA-N 461.393 2.089 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2OCC[C@]2(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C1 2278894330 VJNNQUWPINEWNS-ZSEKCTLFSA-N 465.381 2.407 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)c2ccc(F)c(B3OC(C)(C)C(C)(C)O3)c2)CCO1 2281789756 FOIXEHCVLKHLHU-INIZCTEOSA-N 464.343 2.491 30 10 JEEE C[C@@H](CNC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 2281805763 CRHSWCOTPOLDIM-RCDICMHDSA-N 481.424 2.180 30 10 JEEE Cn1ncc(C(=O)N[C@H]2C[C@@H]3CC[C@H](C2)N3C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2281816740 AYODHVKOEQHCQR-PHZGNYQRSA-N 460.384 2.380 30 10 JEEE CN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1)[C@H]1CCC[C@H]1CNC(=O)OC(C)(C)C 2281959708 PQBBRJNGDANTOV-RDJZCZTQSA-N 462.400 2.485 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C(F)(F)CC1 2281993097 WLIRIIUIVPPLFP-CQSZACIVSA-N 470.326 2.474 30 10 JEEE CC(C)(C)OC(=O)N1[C@H](CNC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C[C@H]2OCC[C@@H]21 2282010197 WOXFUPUQXFNAIN-CWRNSKLLSA-N 479.408 2.339 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2[C@H]3CCC[C@H]2CN(C(=O)OC(C)(C)C)C3)n1 2282049363 YFOATSJQKWZMPW-HOTGVXAUSA-N 460.384 2.333 30 10 JEEE Cc1c(C(=O)N[C@H]2C[C@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282058433 UOKVLOQTDDJWDY-HRCADAONSA-N 460.384 2.155 30 10 JEEE CC[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282064124 VFDKNHDFOLOLAD-RDJZCZTQSA-N 462.400 2.485 30 10 JEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC[C@@H](NC(=O)C(F)(F)F)[C@@H](C)C1 2282308050 MAGSNRVFPYDQGA-WCQYABFASA-N 496.382 2.433 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1[C@H]2CCC[C@@H]1CN(C(=O)OC(C)(C)C)C2 2282485887 UXTZHDGRXVIAMU-IYBDPMFKSA-N 460.384 2.333 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(NS(=O)(=O)c2ccc(F)c(B3OC(C)(C)C(C)(C)O3)c2)C1 2282512317 RYTAYFSBGQRFRK-JLCFBVMHSA-N 482.383 2.413 30 10 JEEE CN(C(=O)c1nn(C)c(Cl)c1B1OC(C)(C)C(C)(C)O1)C1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 2282543968 MIRHFROHYBYXCB-CHWSQXEVSA-N 480.802 2.310 30 10 JEEE C[C@H]1CC[C@@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2282552581 RFXLUSMOIRUGOK-HOTGVXAUSA-N 462.400 2.485 30 10 JEEE CC(C)n1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CC(O)(CNC(=O)OC(C)(C)C)C1 2282565671 NPANWRCGPGHUEK-UHFFFAOYSA-N 463.384 2.080 30 10 JEEE Cc1cc(C(=O)N2CC[C@H](CO)[C@@H](NC(=O)OC(C)(C)C)C2)oc1B1OC(C)(C)C(C)(C)O1 2282578921 XXKLABQZJYNXTM-CVEARBPZSA-N 464.368 2.235 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)[C@@H](NC(=O)c1ncc(B3OC(C)(C)C(C)(C)O3)cn1)C2 2282628067 LKRJVQDCQSRELQ-ZOBUZTSGSA-N 458.368 2.151 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)c3csc(B4OC(C)(C)C(C)(C)O4)c3)C[C@@H]2[C@H]1CO 2282630652 LLYVMIBAOREQKU-YESZJQIVSA-N 478.420 2.347 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2C(NS(=O)(=O)Cc3cccc(B4OC(C)(C)C(C)(C)O4)c3)[C@@H]2C1 2282840678 IQAURMHLFWOUPY-QZTJIDSGSA-N 478.420 2.271 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CCC(N)=O)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2284134740 HGJAVOUCNMFTBX-MRXNPFEDSA-N 465.331 2.222 30 10 JEEE COc1ccc(C(O)=C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccnc2)cc1OC 2296102830 CCCYCHHHIHVGQS-JOCHJYFZSA-N 467.522 2.243 30 10 JEEE COCCCN1C(=O)C(=O)C(=C(O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@H]1c1ccc(O)cc1 2296776303 FHUNSXWVPIYAEE-HXUWFJFHSA-N 474.535 2.101 30 10 JEEE C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2scc(B3OC(C)(C)C(C)(C)O3)c2C1 2336496819 IPNQCAUAUNUQTF-SUMWQHHRSA-N 466.409 2.206 30 10 JEEE COc1ccc([C@@H]2c3c(nc(NCc4ccc5c(c4)OCCO5)[nH]c3=O)NC(=O)[C@H]2C#N)cc1OC 72472448 WNUCTWPZYAFNSL-YWZLYKJASA-N 489.488 2.394 30 10 JEEE C=CCOC(=O)C1=C(C)N=c2sc(=C3C(=O)N(C)c4ccccc43)c(=O)n2[C@@H]1c1ccccc1 254837908 AYGZBNNKODXJAA-OAQYLSRUSA-N 471.538 2.311 30 10 JEEE CC(C)(C)C(=O)NCCCC(=O)[C@@H](C#N)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 916948740 HNPZDSQBQYXAQY-LJQANCHMSA-N 476.599 2.451 30 10 JEEE C=CCn1c(SCC(=O)NCCC(=O)NC(N)=O)nnc1-c1ccc(Cl)cc1Cl 1137177536 QZFGUQDFCOBXSU-UHFFFAOYSA-N 457.343 2.231 30 10 JEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCO[C@@H](c3cccc(OC(F)F)c3)C2)cc1 1153146526 MXCJNTTUBUOWEL-LJQANCHMSA-N 450.463 2.413 30 10 JEEE C#CCN(c1nnc(-c2cccc(Br)c2)n1C[C@@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1286384434 QRFGLRYFQAXWTO-RHSMWYFYSA-N 467.389 2.369 30 10 JEEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1C[C@@H]1CCCS1)[C@H]1CCS(=O)(=O)C1 1286394575 JOCYRJKRZIEBRF-PXNSSMCTSA-N 476.624 2.388 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H](C)c1ncc(C)s1)[C@@H]1CCS(=O)(=O)C1 1286398680 MKRXPCOIPUMRLC-LULLPPNCSA-N 493.655 2.197 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1CCc1cccc(C(N)=O)c1 1286403131 GODWBNZCROUQDD-UHFFFAOYSA-N 451.328 2.450 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)nc2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1286424783 KNBLUUYSSMTNCU-FQEVSTJZSA-N 468.005 2.399 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)Nc2ccccn2)n1CC(=O)NCC1CC1 1286451813 BWVBRCSRLPQTOU-UHFFFAOYSA-N 461.501 2.231 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(OC)cc2OC)n1Cc1nnc2n1CCCCC2 1286463040 GCYASJQHTQZTAY-UHFFFAOYSA-N 465.558 2.415 30 10 JEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 1286493496 CPFUAIZAYKNDFD-QGZVFWFLSA-N 462.620 2.326 30 10 JEEE C=C(C)COCCn1c(COc2ccc(OC)cc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1286612625 IDKCIAUJPWXWET-GOSISDBHSA-N 456.547 2.014 30 10 JEEE C=C(C)COCCn1c(COc2ccc(OC)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1286612626 IDKCIAUJPWXWET-SFHVURJKSA-N 456.547 2.014 30 10 JEEE C=CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1286771116 XWKRUJBLAZMSMP-QGZVFWFLSA-N 456.522 2.014 30 10 JEEE CC(C)C[C@H](Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@H](C#N)C1)N(C)C 1287329074 AQLHNRHTYZMHHJ-NHCUHLMSSA-N 467.622 2.157 30 10 JEEE CC[C@@H](C)c1nnc(N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)n1CC(=O)N(C)C 1291599174 GQCKNMAOKDNGIF-OAHLLOKOSA-N 452.519 2.326 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(F)cc2Br)n1CCNS(=O)(=O)CC 1300286254 GSSVEAKPXOGASH-GFCCVEGCSA-N 458.357 2.244 30 10 JEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCN1C[C@H](C)O[C@H](C)C1 1300466666 ZQCFPYFNUGGQBR-ZCNNSNEGSA-N 476.622 2.155 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@](C)(O)c1ccsc1)[C@H]1CCS(=O)(=O)C1 1300481710 BORPQABIISJLLN-NZQKXSOJSA-N 481.603 2.413 30 10 JEEE C#CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCOCC 1300763801 SKEBQJNZHAVMEF-QGZVFWFLSA-N 453.609 2.426 30 10 JEEE C#CCSCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1300770134 ODNYJSDNOJXJRS-LJQANCHMSA-N 454.600 2.396 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@]1(O)CCN(C)C1 1300818723 CCFONAZLEJEWPT-LPQSXTOPSA-N 458.607 2.108 30 10 JEEE C=CC[C@@H](Cn1c(N2CCN(S(C)(=O)=O)CC2)nnc1[C@@]1(OCC)CCOC1)c1ccccc1 1301169044 ZMURUHOWIIZZKD-XUZZJYLKSA-N 489.642 2.372 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1CCSC1 1301531761 WQUUWPXSYYNXMN-UYAOXDASSA-N 493.655 2.166 30 10 JEEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 1301609504 KLGYMYFSAGFFPI-UXHICEINSA-N 456.616 2.004 30 10 JEEE CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(Oc2cncc(Cl)n2)CC1 1315047349 ALJQAVSTJZZUNX-UHFFFAOYSA-N 466.933 2.444 30 10 JEEE COc1ccc(Cn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N(C)[C@@H](C)CC#N)cn1 1315486049 ADIASCXOAZLMIL-INIZCTEOSA-N 469.571 2.386 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCCO3)n2CCNC(=O)C(C)C)c1 1358902089 DZXWKNVTZQDUDR-HXUWFJFHSA-N 452.559 2.348 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(Cl)cc1F)[C@@H]1CCS(=O)(=O)C1 1358957207 RCHLKZRCTKDEEN-GCJKJVERSA-N 496.992 2.398 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1CCn1cc(Cl)cn1)[C@H]1CCS(=O)(=O)C1 1358965210 QCJFHLZIUTVZJB-IBGZPJMESA-N 489.001 2.054 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1CC(C)(C)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1358966216 JYLCCFKXCQVSQE-KRWDZBQOSA-N 465.620 2.161 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1CCCc1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 1358966833 XRKPDWPDMKSZFB-OAQYLSRUSA-N 482.610 2.159 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCSC2)n1 1359027536 MYSOBELMHIVYCO-DEOSSOPVSA-N 477.594 2.167 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CC2(NC(=O)OC(C)(C)C)COC2)CC1 1359045635 OHJDBXWCUAWXHV-UHFFFAOYSA-N 488.633 2.126 30 10 JEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](CN2CCC(C)CC2)C1 1359049916 YSCWHOBEKJOKTE-WOJBJXKFSA-N 482.720 2.203 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1359090309 YOIDIODNALDPHB-MTNOOBJLSA-N 476.603 2.164 30 10 JEEE C=C(C)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CCN(CC(=O)NCCOC)CC1 1359117908 BXXQKTZFHBPICS-UHFFFAOYSA-N 463.586 2.262 30 10 JEEE C=C(C)COCCn1c(-c2ccc(OC)cc2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1359129434 BTSLLMOTRMBMNC-HXUWFJFHSA-N 468.558 2.313 30 10 JEEE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)c2ccco2)C1 1359357361 DSPRKGMIIDIGDI-IBGZPJMESA-N 461.526 2.144 30 10 JEEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(Cl)c(OCCCC)c(OCC)c2)CC1 1455116288 XCUAHLQDUVPLTG-UHFFFAOYSA-N 457.980 2.143 30 10 JEEE C#CCCCn1c([C@H](C)CC)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1507575216 RCORTLHIFMUEJU-TVFCKZIOSA-N 465.620 2.332 30 10 JEEE C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@@H]1CCCc2cccnc21)[C@@H]1CCS(=O)(=O)C1 1507624588 BWHXDEXHBZFGFD-SESVDKBCSA-N 487.626 2.144 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCN(C2CC2)C1 1507680956 PDKFWMODPRIKKJ-GOSISDBHSA-N 456.616 2.139 30 10 JEEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1Cc1ccccc1OCCN(C)C 1507686364 BBFDONRHKIWWDQ-UHFFFAOYSA-N 450.543 2.454 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2C[C@H](N2CCOCC2)C(F)(F)F)CC1 1507734713 UXLSXJLMEZZJAJ-IBGZPJMESA-N 494.518 2.075 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@@H]2CCCN(C(C)C)C2)CC1 1507737128 ZWXJVZXKRMKISR-HXUWFJFHSA-N 451.619 2.370 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCCN(C)c2ccccc2)CC1 1507738646 TVMWKMQSSPSCPI-UHFFFAOYSA-N 458.570 2.227 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H](C(=O)OC)C1 1507798976 UUIOLXBNDFONLO-HBFSDRIKSA-N 474.583 2.329 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](CN2CCCCC2)C1 1507806462 OZTSTQDIBBVNGA-BQJUDKOJSA-N 480.679 2.182 30 10 JEEE C=CCNC(=O)Cn1c(N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1508098285 OGNUAGLJIMUTCZ-HOYKHHGWSA-N 492.621 2.067 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Cl)n2CCN2CCCS2(=O)=O)C1 1508111842 JQIIYGRPVTWYKS-MRXNPFEDSA-N 451.980 2.415 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@@](C)(CC)C1 1508129309 BHAGFELQHUIFFQ-QFIPXVFZSA-N 496.033 2.468 30 10 JEEE C#C[C@@H](NC(=O)Cn1cnc2c(c(Br)nn2C)c1=O)c1ccc(Cl)cc1F 1528109932 VQMAUFBMOKPUON-GFCCVEGCSA-N 452.671 2.176 30 10 JEEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@H]1CCCCS1(=O)=O 1539026190 RIZYZIPKDFZSPR-JTHBVZDNSA-N 484.670 2.068 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCCOC[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1539210923 FJFMLEONAFRFLZ-HKUYNNGSSA-N 494.017 2.063 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1CC1(O)CC(OCC)C1)[C@@H]1CCS(=O)(=O)C1 1539211687 JZMWMYYYDOGPBK-CSZIGFGKSA-N 496.992 2.294 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@H](C)N(C)C1CC1)[C@@H]1CCS(=O)(=O)C1 1539229876 JABYFEPTLVJCBX-PZJWPPBQSA-N 471.627 2.275 30 10 JEEE C#CCN(c1nnc(COc2ccccc2OC)n1C[C@@H]1CCC=CO1)[C@@H]1CCS(=O)(=O)C1 1539230110 KGKDKXHJTMLFIX-MOPGFXCFSA-N 472.567 2.185 30 10 JEEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1C[C@@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1539273622 ZPASGOAGLPDKAM-FSSWDIPSSA-N 493.612 2.237 30 10 JEEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1539421438 SOVURVUGVVHWLF-OYRHEFFESA-N 457.623 2.114 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCCOCC(F)F)CC1 1539452120 LLTCCUYBDZPQGN-GOSISDBHSA-N 498.575 2.014 30 10 JEEE C#CCN1CCN(c2nnc(CC(C)(C)C)n2CCOc2ccc(S(C)(=O)=O)cc2)CC1 1539452322 OWBOGKOSTBVALP-UHFFFAOYSA-N 459.616 2.104 30 10 JEEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC=C(COC)CC1 1539511620 ZKAKMLGAPFNDKA-UHFFFAOYSA-N 450.568 2.341 30 10 JEEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1539612587 OCSKABPMUNPABW-MRXNPFEDSA-N 461.368 2.278 30 10 JEEE C=C(C)CN(CC)c1nnc(CCc2ccc(OC)cc2)n1CC1(O)CCS(=O)(=O)CC1 1539676272 LPHKUKZIVDAZKJ-UHFFFAOYSA-N 462.616 2.414 30 10 JEEE C=C(Cl)Cn1c(N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)nnc1[C@]1(OCC)CCOC1 1539823618 GDRONRKBGMKROC-IERDGZPVSA-N 471.986 2.413 30 10 JEEE C=CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@H]1CCS(=O)(=O)C1 1540069408 OQAPRJOZTZQVEI-INIZCTEOSA-N 456.572 2.122 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1540865934 XEEIEDWZEYIQFM-UHFFFAOYSA-N 455.607 2.144 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1540868620 LWLWUDSPIZALFO-IBGZPJMESA-N 476.585 2.126 30 10 JEEE N#C[C@@]1(F)CCN(c2nnc(COc3ccccc3F)n2C[C@H]2CCCS(=O)(=O)C2)C1 1555985981 CITUWKCZEDBMDL-QRWLVFNGSA-N 451.499 2.263 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC1(S(C)(=O)=O)CCC1 1587621246 QAIHLXLXYMYMCN-QGZVFWFLSA-N 482.610 2.490 30 10 JEEE C#CCCCCn1c(N2CCN(CC(=O)N3CCCC[C@H]3C)CC2)nnc1[C@@]1(OCC)CCOC1 1587792850 BWEOLGPSFNFKLP-ATIYNZHBSA-N 486.661 2.257 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@H](SC)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1588035837 YGWFTAUAZGPDQA-FGSXEWAUSA-N 484.688 2.335 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCCn2ccnc21 1588099539 QDBDVASJCVAEKE-FQEVSTJZSA-N 477.594 2.042 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCC(=O)N1CCCCCC1 1588200262 JLHKKQPVOPUHPU-UHFFFAOYSA-N 471.569 2.176 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1cnn2ccccc12 1588280104 GBKXDJMBAYADCD-UHFFFAOYSA-N 463.567 2.351 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1CC1CCN(c2ccncc2)CC1 1588574671 PLPFEOCVGXXCGZ-UHFFFAOYSA-N 474.569 2.323 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2Cc2ccc3c(c2)OCCCO3)CC1 1588891769 SVYATPYFPHPJPF-IBGZPJMESA-N 497.596 2.178 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1589545104 LJXXPIXOJHOBBH-MKXGPGLRSA-N 495.646 2.265 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](OC)[C@H](OC)C1 1589569496 PIGGXXMMQZXQNJ-WWNBULGVSA-N 461.588 2.101 30 10 JEEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1593636367 JTBKFMHSNMQWEE-OALUTQOASA-N 457.579 2.339 30 10 JEEE C=C(Cl)Cn1c(C(C)C)nnc1N1C[C@@H]2[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1593808082 OAFKIVKRTCNNMI-QLFBSQMISA-N 460.000 2.281 30 10 JEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCn2c(nnc2-c2ccccc2)C1 1594680172 OENJGEUVYMEDAG-INIZCTEOSA-N 456.576 2.133 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC1(O)CCOCC1 1595134140 SOPGVWOPYRRAHN-LJQANCHMSA-N 478.590 2.444 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC[C@@H](C(N)=O)C2)cc1 1595607094 ADSPNQFKLYEGBT-GOSISDBHSA-N 461.526 2.240 30 10 JEEE Cc1cc([C@](C)(O)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@](C)(C#N)C2)c(C)o1 1611902579 BCAHRDNRLPTJBB-GQWLDOHISA-N 464.592 2.136 30 10 JEEE CC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)C(C)C)CCN1CCOC 1614215032 CXQFVLJVAVDRDL-NRFANRHFSA-N 453.591 2.136 30 10 JEEE C#CCN(C(=O)c1ccnc(S(N)(=O)=O)c1)[C@@H]1CCOc2ccc(Br)cc21 1617601090 OLUWLAVQBXBRQU-OAHLLOKOSA-N 450.314 2.091 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@H](C2CCN(S(=O)(=O)c3ccc(C#N)nc3)CC2)C1 1662493753 FRVJBTAHDYZYRP-APWZRJJASA-N 450.561 2.426 30 10 JEEE C#CCN(c1nnc(-c2noc3c2COCC3)n1CCCC(C)(C)COC)[C@H]1CCS(=O)(=O)C1 1689988509 QQRFCOHULHYAKX-KRWDZBQOSA-N 491.614 2.085 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1CCN1CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1689997267 ZAFZGTKUPNYGDE-PMACEKPBSA-N 489.617 2.355 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CCNC(=O)c1cccc(C)c1 1690043584 GHZGHWNJIHKTRH-UHFFFAOYSA-N 458.522 2.207 30 10 JEEE C#CCN1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CC[C@H](OC)C(F)(F)F)CC1 1690122190 JQQROWOOVXRUEF-KRWDZBQOSA-N 475.475 2.317 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@H](C)N2CCOCC2)CC1 1690137527 BZENKIOMEDHTRF-VQTJNVASSA-N 498.603 2.244 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2nc(C)c(C)s2)CC1 1690138100 RWWCFFBGTVWEFJ-MRXNPFEDSA-N 460.604 2.090 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1690188792 PHXZUIWLLPWYQU-DYESRHJHSA-N 468.524 2.159 30 10 JEEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1690321971 PXJRPORQNSZJGM-SFTDATJTSA-N 476.622 2.323 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@H]1c1cnn(C)c1 1690659253 NZJMYENFQGFGGU-IBGZPJMESA-N 482.976 2.239 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C(C)C)C1 1690682081 DAAPUQAVUPYMIM-FXAWDEMLSA-N 463.604 2.363 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(NC(=O)N(C)C)cc2)C1 1690699484 FTYAMNAHAQDRON-QUCCMNQESA-N 488.614 2.103 30 10 JEEE CC(C)N(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1693831292 HOEAGHHLCOYNPV-YADARESESA-N 454.575 2.453 30 10 JEEE CCCNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCOC2=O)C1 1695408444 HLDPXVUZGRNJGW-FQEVSTJZSA-N 465.558 2.402 30 10 JEEE COc1ccccc1N1CC[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)C[C@@H](C)C#N)C1 1697600769 DQBMHORRGQVXJV-KSZLIROESA-N 475.619 2.019 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1ccc(C)n(C)c1=O 1705490178 DHZHYFUYBORSSX-INIZCTEOSA-N 457.538 2.188 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(CSc2ccccc2OC)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1705506388 XCPKEMIWNPPRCU-IAGOWNOFSA-N 463.629 2.318 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@](C)(O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1705565231 HIYZRERFFHYHPQ-JTAQYXEDSA-N 458.584 2.054 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1CCNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1705569574 IELVFNFWFPCDDU-HXUWFJFHSA-N 487.626 2.215 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccccc2OCC)n1CC1CCS(=O)(=O)CC1 1705587159 JQRVOHNHOZQDLD-UHFFFAOYSA-N 456.568 2.153 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@](C)(O)C2CC2)CC1 1705651219 NZOMHHYLUOMZLQ-RUZDIDTESA-N 451.571 2.292 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N(C)CC(=O)NC(C)C 1705705646 JXRVWWBJAWJHDJ-JXFKEZNVSA-N 460.604 2.212 30 10 JEEE C=C(C)COCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1705736711 AJXFFAHVHZDHCU-RXVVDRJESA-N 491.614 2.149 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCS(=O)(=O)C1 1705861612 KGEWWVNBTUFLFD-VQTJNVASSA-N 478.640 2.198 30 10 JEEE C=CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1705890156 AFNSHHFFSQVBIH-INIZCTEOSA-N 473.578 2.099 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCN2C(=O)CC[C@@H]2C1 1705906964 VWKKLSFMDVXOKH-LJQANCHMSA-N 466.586 2.402 30 10 JEEE CCn1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N2C[C@@H](C)O[C@@H](COC)C2)cn1 1710188444 FXABHBOIDVFXHY-DYESRHJHSA-N 451.531 2.234 30 10 JEEE CCOCc1nnc(N2CCCN(c3ccccc3C#N)CC2)n1C[C@@H](C)N1CCN(CC)CC1 1710721490 CVSSGUKYOFOVGJ-JOCHJYFZSA-N 480.661 2.429 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2CC[S@@](=O)CC)c1 1722307263 KSIBOOQICYTAKV-YTTGMZPUSA-N 450.568 2.089 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1(COC)CCC1)[C@H]1CCS(=O)(=O)C1 1722358454 BXAYWJRIHXLLQY-IBGZPJMESA-N 473.555 2.297 30 10 JEEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1CC1([S@](C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1722370314 BICVIPQPXKINOY-WHUARKNTSA-N 490.651 2.012 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(OC)ccc2Br)n1Cc1cn(C2COC2)nn1 1722390505 SKVJBHILBZLYLW-UHFFFAOYSA-N 496.369 2.390 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccn2C)n1Cc1ccccc1S(=O)(=O)N(C)C 1722395415 CJTHQZTYFYLWTP-UHFFFAOYSA-N 450.568 2.045 30 10 JEEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(=O)NC1CCCCC1 1722411753 OUCTZWKOQMKICQ-UHFFFAOYSA-N 450.591 2.361 30 10 JEEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1(NC(=O)OC(C)(C)C)COC1 1722411787 PUVXLPOECWYJAX-UHFFFAOYSA-N 496.616 2.205 30 10 JEEE C=CC1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2ccc(C(N)=O)nc2)CC1 1722576013 GQODDLJYONTBLN-UHFFFAOYSA-N 466.567 2.293 30 10 JEEE C=CCC(C)(C)Cn1c(N2CCN(S(C)(=O)=O)[C@@H](C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1722593365 PDTPMFQMFCUFLB-PGRDOPGGSA-N 469.652 2.391 30 10 JEEE C=CCCOCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN2CCCC[C@H]2C1 1722624186 WACVWTHBMGPOMR-NRFANRHFSA-N 488.658 2.463 30 10 JEEE C=CCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1722684683 OPFLPSRSINSLKC-UHFFFAOYSA-N 488.570 2.178 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1722693049 CAKZQTIPYARPFH-UHFFFAOYSA-N 496.612 2.493 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC2(C(=O)N(C)C)CCCC2)C1 1722711150 SEPGARDIOUPGTC-CYFREDJKSA-N 461.607 2.360 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 1722724209 QIVQPPIWDSTNCE-HZPDHXFCSA-N 452.581 2.477 30 10 JEEE CC[C@@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ncccn2)CC1 1727092295 GRFZVICLUONWJX-GOSISDBHSA-N 459.558 2.238 30 10 JEEE CCN(C)C(=O)Cn1c(-c2ccccc2C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1728259744 BTAKOLLGGVQJOZ-GOSISDBHSA-N 459.558 2.109 30 10 JEEE COc1ccc(Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CCO[C@H](C#N)C2)cn1 1730149615 IDMZOQOSSISRSY-GOSISDBHSA-N 467.917 2.042 30 10 JEEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC2(O)CCC2)C[C@H]1C 1730798526 AMQUQDUOQRZZRE-LJQANCHMSA-N 454.575 2.191 30 10 JEEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1740595349 REOTYKZKPKKXRG-UHFFFAOYSA-N 466.634 2.124 30 10 JEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(-c2nc[nH]n2)cc1 1740610864 NKKXMEUTGHNGBW-LJQANCHMSA-N 478.557 2.489 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCNC(=O)c1cccs1)[C@@H]1CCS(=O)(=O)C1 1740619603 PPLKDQRZSDUJPO-GOSISDBHSA-N 499.618 2.072 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1cc(COC(C)(C)C)on1)[C@H]1CCS(=O)(=O)C1 1740625830 QQWBTIGMVSPYQB-FQEVSTJZSA-N 498.609 2.242 30 10 JEEE C#CCN(c1nnc(COCC)n1Cc1coc(-c2ccc(C)cc2)n1)[C@H]1CCS(=O)(=O)C1 1740628117 NOLYXPHZLWQJSU-FQEVSTJZSA-N 469.567 2.453 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1CCCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1740628788 UFNDQWGCQIRVMA-LJQANCHMSA-N 475.590 2.109 30 10 JEEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(F)cc1C(F)(F)F 1740632184 YCZSFSYFTJJCAP-ZDUSSCGKSA-N 457.453 2.167 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCc2cc(OC)ccc21 1740671465 HXNCOPJOGPRKHA-SIKLNZKXSA-N 487.626 2.199 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H]1CCC[C@H](O)C1 1740683896 GTGUBGAUHZNKMN-OALUTQOASA-N 464.570 2.312 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(OC(C)C)nc2)CC1 1740699198 XRVFJVRQLMLKFV-UHFFFAOYSA-N 479.610 2.255 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2CCCN2CCCC2)CC1 1740703473 URCGZLMQLGFGJD-UHFFFAOYSA-N 450.587 2.405 30 10 JEEE C=C(Br)Cn1c(CC(C)C)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1740745255 PZGXIUKXFONUMH-QAPCUYQASA-N 453.429 2.374 30 10 JEEE C=C(C)COCCn1c(-c2ccccc2F)nnc1N1CCC(CNS(C)(=O)=O)CC1 1740790448 HTWVYNFPYRCZTA-UHFFFAOYSA-N 451.568 2.443 30 10 JEEE C=CC1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCS(=O)(=O)N2CCSCC2)CC1 1740836683 RKKWCVMUYWHNTP-JOCHJYFZSA-N 499.703 2.100 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1740986849 JGZBEQMPVFOSSA-DLBZAZTESA-N 495.577 2.435 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@H](C)O[C@@H](C)C1 1740987300 DHJDXPVMFAGQNB-HOTGVXAUSA-N 450.561 2.177 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1740989200 DWBPCXMGCWZDRF-HDICACEKSA-N 488.614 2.244 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1C[C@@H](C)OC(C)(C)C1 1740991954 IYXSSEVWKLZCMI-VQIMIIECSA-N 462.572 2.395 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1740993835 DPDHDQHZOYEIPK-UHFFFAOYSA-N 487.626 2.280 30 10 JEEE C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H](C)CN1CCOCC1 1741875960 AVJCZVAHQXNEDO-CEXWTWQISA-N 474.631 2.043 30 10 JEEE Cc1cc(C)n(-c2ccc(Cn3c([C@@H](C)NS(C)(=O)=O)nnc3N3CCC[C@](C)(C#N)C3)cn2)n1 1742668974 HFOFNKAPUIRBBT-WZONZLPQSA-N 497.629 2.264 30 10 JEEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCSC2)C1 1746552180 DTWMMONQXBPUSW-UYAOXDASSA-N 490.655 2.390 30 10 JEEE CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1CC(C)(C)N1CCOCC1 1747393764 GLZOQOYQMCEQDB-GOSISDBHSA-N 474.631 2.187 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1748651858 SGJVFCOWYHWEDE-IEBWSBKVSA-N 494.625 2.307 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2C[C@H]2CCCCS2(=O)=O)c1 1748694776 NUJABGVCJRBICG-JOCHJYFZSA-N 492.605 2.287 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2CCCN2CCC(O)CC2)c1 1748698079 QELFMUMLRJSJET-JOCHJYFZSA-N 466.586 2.033 30 10 JEEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1748724585 WNKARVIQULXSQI-LJQANCHMSA-N 456.616 2.232 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CC[S@](=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1748807888 DAQVBKDSYTYPOS-DRKIFQHWSA-N 478.640 2.128 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@](C)(O)CCC)[C@@H]1CCS(=O)(=O)C1 1748808389 KRKGNGSJEIGPFZ-WZONZLPQSA-N 476.599 2.140 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H](CC(C)C)NC(=O)OCC)[C@@H]1CCS(=O)(=O)C1 1748812119 QIMFKBUCOPFFGQ-RTBURBONSA-N 488.614 2.128 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@H](C)Oc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1748818552 CHRIGPLXDZFGIY-PZJWPPBQSA-N 465.579 2.358 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@@](C)(OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1748820028 XRKUYQOKDFTBBJ-GBXCKJPGSA-N 472.611 2.319 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](C(C)C)N1CCOCC1 1748944622 ANKCSYWAECKXAZ-FGZHOGPDSA-N 468.577 2.365 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccccc2Br)n1CC(=O)NCC(F)(F)F 1748956091 IHXAGUQUPVTMEN-UHFFFAOYSA-N 474.281 2.472 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(NC(=O)CCC)cc2)CC1 1749008541 BQMGHBUQIVMNKQ-UHFFFAOYSA-N 486.580 2.488 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccccc2Br)CC1 1749009015 FBAYEZPTLZIKFP-SFHVURJKSA-N 485.386 2.006 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C)n1C[C@]1(O)CCS(=O)(=O)C1 1749073719 WYUDELYFVLVEFM-DHIUTWEWSA-N 458.584 2.016 30 10 JEEE C=CCn1c(COc2ccccc2OC)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1749642584 SLIWUWJXIHDGGL-UHFFFAOYSA-N 454.575 2.186 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCc2c(ccnc2N(C)C)C1 1749660347 NSDGLYBXHVWXKU-UHFFFAOYSA-N 477.569 2.288 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1749729458 KDEAYSKQRVTGCL-KRWDZBQOSA-N 460.585 2.284 30 10 JEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](O)(c2ccccc2F)C1 1749754857 AQVIEVOWVYYRJL-HRAATJIYSA-N 466.604 2.336 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2Cc2cc(C)nn2C)c1 1760127903 QDYWVYDYBFDBJH-UHFFFAOYSA-N 454.538 2.410 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1CCCc1c[nH]nc1C)[C@@H]1CCS(=O)(=O)C1 1760189329 HQPVKDRCWHUVSR-OAQYLSRUSA-N 482.610 2.169 30 10 JEEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1Cc1ccoc1)[C@H]1CCS(=O)(=O)C1 1760191489 IMZHEPQCLLLBNH-SFHVURJKSA-N 456.524 2.134 30 10 JEEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)c1ccccc1 1760281552 OIXDLZIXVMXBLM-HKUYNNGSSA-N 463.629 2.175 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCCCO2)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1760306717 JYFNVYOXOMZIJZ-CVEARBPZSA-N 477.425 2.458 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC)nnc1N1CCN(C[C@@H](O)COc2ccccc2)CC1 1760322886 YTILOIMXGRBNJS-LGVFNWMJSA-N 455.603 2.384 30 10 JEEE C=C(Cl)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1760378804 XSBQECDSQYPPSH-UHFFFAOYSA-N 474.993 2.400 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CCC[C@H](NC(C)=O)C1 1760552768 AIYLKHYRUOBNIY-INIZCTEOSA-N 451.980 2.304 30 10 JEEE C[C@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1763034165 BZTNKIQVFQZAQV-DOTOQJQBSA-N 461.492 2.368 30 10 JEEE CCOCc1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1CC(=O)NCC(F)F 1767934520 GSFILNZSPUTZJP-UHFFFAOYSA-N 467.908 2.048 30 10 JEEE COc1ccccc1OC[C@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1 1768960689 BZXNBNVCYHRKBQ-HYFFOGBASA-N 477.562 2.346 30 10 JEEE C=CCC1(O)CCN(C(=O)NC[C@H]2CC3(CCN(C(=O)OC(C)(C)C)CC3)C(=O)O2)CC1 1772557299 ILNLXTAKSQUNJM-QGZVFWFLSA-N 451.564 2.432 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2ccccn2)CC1 1772660213 KPAIKQLVJFHNMA-UHFFFAOYSA-N 473.990 2.316 30 10 JEEE O=C(C1=C(O)C(=O)N(CCCN2CCOCC2)[C@H]1c1cccc(O)c1)c1ccc2c(c1)OCO2 1862626229 YDXNBNHBLQCEBQ-QFIPXVFZSA-N 466.490 2.422 30 10 JEEE CN(C)CCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CN1CCN(c2ncccn2)CC1 1870349473 OYYRERHOKDTKTO-UHFFFAOYSA-N 487.608 2.363 30 10 JEEE C=CCNC(=O)[C@@H](C)[S@](=O)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1990662154 LVQGBJLFXOQFJD-UVNKEWLGSA-N 470.547 2.418 30 10 JEEE COC[C@@H](ONC(=O)OC(C)(C)C)C(=O)NCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2124541487 TWHIVHKTVVGBMW-QGZVFWFLSA-N 450.341 2.073 30 10 JEEE Cc1nc(I)c(NC(=O)[C@H](N)CCCCC#N)c(I)n1 2178367458 KIDRUMPTLFBNOB-MRVPVSSYSA-N 499.094 2.344 30 10 JEEE CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCN1C)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2180991608 OZOGJUNZLRXMIJ-LJQANCHMSA-N 459.396 2.500 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H]1NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2247880497 GGRSVEVMRBIKAB-ZIAGYGMSSA-N 458.411 2.381 30 10 JEEE CC(C)(C)OC(=O)N1CC([S@](C)(=O)=NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2255710886 QWRNNXIARIYNAP-HKBQPEDESA-N 453.370 2.171 30 10 JEEE CC1(C)OB(c2cncc(S(=O)(=O)N[C@H]3CC[C@H]3NC(=O)OCc3ccccc3)c2)OC1(C)C 2255753814 WFZMHOPKWWFPKQ-UXHICEINSA-N 487.387 2.117 30 10 JEEE COCC[C@H](CNC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2255808705 NGOMAZZAFBCJSZ-CYBMUJFWSA-N 455.386 2.102 30 10 JEEE CO[C@@H]1C[C@@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)s2)N(C(=O)OC(C)(C)C)C1 2256621141 QVGAJWXBBWMGHG-OLZOCXBDSA-N 453.370 2.405 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)NCc1sccc1B1OC(C)(C)C(C)(C)O1 2256626812 OFKDSDQPERYKIX-ZFWWWQNUSA-N 452.382 2.034 30 10 JEEE CN(C(=O)OC(C)(C)C)[C@@H]1CCN(S(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2267473875 LQTMBRQORNPUMR-CQSZACIVSA-N 487.453 2.213 30 10 JEEE CCc1nn(C)c(C(=O)NCC(C)(C)NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267505784 NRDHGUWILUEFTB-UHFFFAOYSA-N 450.389 2.315 30 10 JEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N(CCO)CCCNC(=O)OC(C)(C)C 2267508597 HLDBNSSXHOASHC-UHFFFAOYSA-N 452.357 2.237 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H](C(=O)NCc2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2268662973 GLOJTTURCQJLKC-GDBMZVCRSA-N 466.409 2.281 30 10 JEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2C[C@H]3CC[C@H]2N(C(=O)OCc2ccccc2)C3)n1 2281954940 DWAHBBBIRULQFH-GUDVDZBRSA-N 495.389 2.034 30 10 JEEE Cc1cc(C(=O)N[C@@H]2[C@H](NC(=O)OC(C)(C)C)[C@@H]3CCO[C@H]32)oc1B1OC(C)(C)C(C)(C)O1 2281976130 XIWMVNDUGIZSBR-RKTXRCNFSA-N 462.352 2.298 30 10 JEEE Cc1nn(C)c(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H](C)[C@H]2C)c1B1OC(C)(C)C(C)(C)O1 2281977915 VSXQJXYIXHZDAL-HZPDHXFCSA-N 462.400 2.498 30 10 JEEE CCc1nn(C)c(C(=O)N[C@]23C[C@@H]2CN(Cc2ccccc2)C3)c1B1OC(C)(C)C(C)(C)O1 2281987084 XHTKFWNGQWRODG-CJAUYULYSA-N 450.392 2.286 30 10 JEEE CC(C)(C)OC(=O)N1[C@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)C[C@@H]2COC[C@@H]21 2282009199 OUCKOTNJINSOMA-YCPHGPKFSA-N 479.408 2.197 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CN(C(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)CCO1 2282061606 MYBRXXIUESPTCK-YJBOKZPZSA-N 461.368 2.135 30 10 JEEE C[C@H]1CN(S(=O)(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)CC[C@H]1NC(=O)C(F)(F)F 2282345072 NQQNYBVNOQVDPQ-XJKSGUPXSA-N 476.326 2.063 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](CCNS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282347139 TXGMNKPZYCGKQI-WOVMCDHWSA-N 481.424 2.353 30 10 JEEE CC(C)(C)OC(=O)NCc1nc(NS(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)n[nH]1 2282496430 ARDFJAGHKWPFEB-UHFFFAOYSA-N 499.424 2.132 30 10 JEEE CCc1nc(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 2282512127 GPYAKBVYAUURBZ-ZIAGYGMSSA-N 481.424 2.105 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C1 2282555158 OOZVJPMKUFHNLK-HOTGVXAUSA-N 462.400 2.485 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC1(C)C 2282582664 YRXXWBNXWUYWDO-OAHLLOKOSA-N 462.400 2.403 30 10 JEEE CCn1cc(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 2282586575 ACIQGKBDBOPZNY-CVEARBPZSA-N 466.363 2.280 30 10 JEEE Cc1c(C(=O)N2CCN(C(=O)OC(C)(C)C)CC[C@H]2C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282592465 DCHKGWKRZYANKJ-OAHLLOKOSA-N 462.400 2.499 30 10 JEEE CC(C)(C)OC(=O)NC[C@]1(F)C[C@@H](CNC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2282623258 DDKYPUHOZDNERA-XLOAEROZSA-N 464.347 2.149 30 10 JEEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1CCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2282624510 MOGWGTIKJOGZJP-CVEARBPZSA-N 462.400 2.342 30 10 JEEE Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1(CCO)CN(C(=O)OC(C)(C)C)C1 2282701244 VPRUNPWNVRBIFO-UHFFFAOYSA-N 460.380 2.396 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2283944118 JDDSEGMXTVEQNO-ZFWWWQNUSA-N 465.331 2.076 30 10 JEEE Cc1ccc(NC(=O)[C@H](CCC(N)=O)NC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2284054223 ZPJMMIHWKTTZPQ-KRWDZBQOSA-N 461.368 2.392 30 10 JEEE CC(C)(C)OC(=O)N[C@]1([C@H](O)C#CC2(S(C)(=O)=O)CCC2)CCN(Cc2ccccc2)C1 2319389002 UGJUFUUGJJSQTM-HYBUGGRVSA-N 462.612 2.487 30 10 JEEE COC(=O)c1ccc(C=Nn2c(COc3ccccc3OC)nnc2SCC(N)=O)cc1 2328261435 NEIFDGBCFHLAKH-UHFFFAOYSA-N 455.496 2.112 30 10 JEEE C=CCN(CC=C)c1nc(NC(=O)C=Cc2ccc(OC)cc2)n([C@@H]2CCS(=O)(=O)C2)n1 2331675741 HABOVMHXJDPMNO-GOSISDBHSA-N 457.556 2.477 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@](O)(CCN=c2cc(B3OC(C)(C)C(C)(C)O3)c(F)c[nH]2)C1 2345744430 BFZUBCGFFJILDC-QFIPXVFZSA-N 451.348 2.116 30 10 JEEE CN(C)c1ccc([C@@H]2c3c(nc(NCc4ccc5c(c4)OCCO5)[nH]c3=O)NC(=O)[C@H]2C#N)cc1 72472492 GKMMLDJJIJMZBO-PXNSSMCTSA-N 472.505 2.443 30 10 JEEE N#CCC(=O)NCc1cccc(NC(=O)CN2C(=O)c3ccc(Br)cc3C2=O)c1 219740987 CLLIVUIBSLOMHU-UHFFFAOYSA-N 455.268 2.214 30 10 JEEE CCOC(=O)[C@@H]1CCCN(c2nc(O)c3c(n2)NC(=O)[C@@H](C#N)[C@@H]3c2cccc(OC)c2)C1 256033586 QTJUJIYOQSLRQG-PVAVHDDUSA-N 451.483 2.194 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)N(C)CCCOc3cccc(S(C)(=O)=O)c3)cc2C1=O 489860882 RMJQNWCJBJUZCY-UHFFFAOYSA-N 456.520 2.413 30 10 JEEE COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2C)c(=O)n1Cc1ccccc1 523466809 UTYMKYZIYBIPOU-KRWDZBQOSA-N 465.550 2.060 30 10 JEEE C#CCN(C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@@H](C)C2)c1)[C@@H]1CCS(=O)(=O)C1 729331031 MDRAPQUWAPILOJ-NVXWUHKLSA-N 473.016 2.023 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)N(C)Cc2ccc(OCC(=O)OC)cc2)ccc1F 1128256845 LVULMWYHHSGKCR-UHFFFAOYSA-N 450.488 2.114 30 10 JEEE CCOc1cc(C(=O)N2CCC(C#N)(C(=O)OC)CC2)ccc1OCC(=O)N1CCCCC1 1128861176 GMXPHWPSTATJHX-UHFFFAOYSA-N 457.527 2.396 30 10 JEEE C=CC[C@H](CO)CNC(=O)c1cccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c1 1152930189 MDPIRJOMMVXGNB-NRFANRHFSA-N 457.596 2.108 30 10 JEEE C#CCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 1161273170 TYWIBZXUVKWNFL-NRFANRHFSA-N 454.508 2.495 30 10 JEEE C=CCO[C@H]1CCN(CC(=O)Nc2cc(S(=O)(=O)N3CCCCCC3)ccc2OC)C1 1168423041 CXMUJASCSHIICO-SFHVURJKSA-N 451.589 2.475 30 10 JEEE CCN(CC)S(=O)(=O)N1CCN(C(=O)Nc2cccc(Oc3ccc(C#N)cn3)c2)CC1 1215440025 FTIJAFXHMYEXNR-UHFFFAOYSA-N 458.544 2.482 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@@]2(O)CCCC2(C)C)c1 1286310001 VVMDAXJBMYLART-VWLOTQADSA-N 466.586 2.414 30 10 JEEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(CN2CCO[C@@H](C)C2)c1 1286358443 GLLCDRWZBPSJFI-IBGZPJMESA-N 459.554 2.264 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1Cc1ccc(C(C)(C)O)cc1)[C@@H]1CCS(=O)(=O)C1 1286386539 CJDYVNVWCFOBOB-HXUWFJFHSA-N 467.595 2.186 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1Cc1snnc1C)[C@H]1CCS(=O)(=O)C1 1286388500 QHSZRLQZTSGKGW-INIZCTEOSA-N 462.988 2.433 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@H](C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 1286388752 VGHQKDDSJHJQFF-KNQAVFIVSA-N 466.611 2.175 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H](C)c1ncc(C)s1)[C@H]1CCS(=O)(=O)C1 1286398681 MKRXPCOIPUMRLC-WNHJNPCNSA-N 493.655 2.197 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1CC1(NC(=O)OC(C)(C)C)COC1 1286411134 ZJSFWMOGFVNUOR-HXUWFJFHSA-N 479.537 2.157 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1Cc1ccc(-n2cncn2)nc1 1286458701 AOKRQTOULQAYER-UHFFFAOYSA-N 496.373 2.156 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCOCCCO)CC1 1286663526 NHIDBNOHDSIPGR-IBGZPJMESA-N 465.595 2.388 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCN(Cc2ccccc2)CC1 1286793553 HFMZCJLDGDWWHM-GMAHTHKFSA-N 468.602 2.017 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCC[C@H](CNC(=O)c2ccccc2)C1 1286819528 NFFTZHWKNQUAAZ-GOSISDBHSA-N 457.600 2.403 30 10 JEEE CC(C)N1CCC[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CC(=O)N2CCOCC2)C1 1287978324 CUFGVEKZUVMUHX-NRFANRHFSA-N 465.602 2.232 30 10 JEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 1300408821 CODUXGBMPWMXPF-KRWDZBQOSA-N 491.017 2.497 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CCc1csc(CC)n1)[C@@H]1CCS(=O)(=O)C1 1300497979 FNUFGYDSBBAIIO-LJQANCHMSA-N 470.624 2.152 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@](C)(O)c1ccco1 1300642654 LVQZXKWOQPUMFK-OPAMFIHVSA-N 475.546 2.168 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H](NC(=O)OC(C)(C)C)C(C)C)CC1 1300686173 YAOPOPPMEKLSMB-NLFFAJNJSA-N 490.649 2.235 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccccc3Br)n2C[C@H](C)N2CCOCC2)CC1 1300692262 BDWWWCRANOKABC-SFHVURJKSA-N 473.419 2.184 30 10 JEEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1300988597 HCYBNVQFVBBSGY-YADHBBJMSA-N 474.650 2.288 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1=CCCOC1 1301362554 FXYGNHLEOKGMNL-LJQANCHMSA-N 479.628 2.212 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 1301491255 GRRKERZPNZVBDH-UHFFFAOYSA-N 471.569 2.359 30 10 JEEE C=CCOc1ccc(Cn2c(-c3cnccn3)nnc2N2CCC[C@H](CN(C)S(C)(=O)=O)C2)cc1 1301519212 SCUZDZOPDIXDEK-HXUWFJFHSA-N 497.625 2.456 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1301520253 VUZYKRQLNQTICX-DEOSSOPVSA-N 497.625 2.367 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1301575393 FYAOGBQPNCTDOE-UHFFFAOYSA-N 495.609 2.345 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1301586969 QCWCZLOJVBRYNA-UHFFFAOYSA-N 456.494 2.203 30 10 JEEE C=CCSCCn1c([C@H]2CCCCO2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1301611327 BISHGYXATCPYNL-GOSISDBHSA-N 482.632 2.079 30 10 JEEE CCS(=O)(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1CCCN1CCCO[C@H](C)C1 1314520539 DXJSOPRQSBFFII-LJQANCHMSA-N 474.631 2.189 30 10 JEEE COCCN(C)CCCn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1316065006 FOXHFTPQVNESNR-QFIPXVFZSA-N 464.574 2.096 30 10 JEEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2sc(C)nc2C)CC1=O 1316124929 CUFWQFSFHOHUMP-UHFFFAOYSA-N 465.583 2.428 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1CC(C)(C)COCC)[C@H]1CCS(=O)(=O)C1 1358960122 XTRDQIMZCRCMRW-IBGZPJMESA-N 488.610 2.406 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)ccc3Br)n2Cc2nncn2CC)CC1 1359031662 KUFRGGLRGGYNAZ-UHFFFAOYSA-N 485.390 2.131 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1359302042 VNXMUOUXXVKNEO-OAQYLSRUSA-N 460.586 2.375 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@@H](C)c1sc(CC)nc1C 1359332181 QWDQSZRWQOAVCU-GJZGRUSLSA-N 466.633 2.355 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCCN(C(=O)C(C)C)CC1 1359333754 IPESHKLBOOWANR-UHFFFAOYSA-N 473.643 2.473 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1359333837 LQUUDBMCRHLJOB-MJGOQNOKSA-N 490.630 2.214 30 10 JEEE C#C[C@@H](NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1)c1ccc(Br)cc1 1460783712 FEZKQZGHHXACNT-OAHLLOKOSA-N 453.314 2.167 30 10 JEEE C#C[C@@H](NC(=O)NCC[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)c1ccc(F)cc1 1478893869 QMQSSKJCRQJAQH-QZTJIDSGSA-N 453.536 2.223 30 10 JEEE CC[C@H](C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCN1CCOCC1(C)C 1495733228 GZXFWGCUYCHJEW-IBGZPJMESA-N 452.607 2.496 30 10 JEEE CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(Cc2csc(C)n2)CC1 1501401092 GNRSFRIPVCVTEU-UHFFFAOYSA-N 464.599 2.382 30 10 JEEE CN(C)C(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1503366812 GDGXHKDVZKFLCW-IBGZPJMESA-N 493.593 2.197 30 10 JEEE CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](NC(=O)OC(C)(C)C)C(C)C)CCO1 1503771215 HRGRZSQSMMDBPW-WOJBJXKFSA-N 497.600 2.317 30 10 JEEE C#CCN(C)c1nnc(-c2ccc(F)cc2Br)n1CCN1CCN(C(C)=O)CC1 1507610263 JXIYXMIZTKEFRF-UHFFFAOYSA-N 463.355 2.080 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1cccc(N(C)C)c1)[C@H]1CCS(=O)(=O)C1 1507631547 FIWGGHPIMWCLJO-LEWJYISDSA-N 457.600 2.261 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCCOC(F)F)CC1 1507737940 DGRTUIGREHPLCP-IBGZPJMESA-N 475.496 2.386 30 10 JEEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1csc(CC)n1 1507775052 HGRCFBJZPOLMIC-LLVKDONJSA-N 463.427 2.452 30 10 JEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1507954991 TYARVYUYKDWBTP-JKSUJKDBSA-N 481.541 2.125 30 10 JEEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(O)CCN(C(C)C)CC1 1507982050 QPTUMSCDFGKVIQ-LJQANCHMSA-N 478.638 2.444 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC(N(CC)C(=O)OC(C)(C)C)CC1 1508081379 YLIBKQNYASSUCI-UHFFFAOYSA-N 470.578 2.263 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1coc(-c2ccc(C)cc2)n1 1539267352 YOTVYGILPZZHRU-HXUWFJFHSA-N 463.563 2.459 30 10 JEEE C#CCN(CC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H](C)CN1CCN(CC)CC1 1539360069 YLODRALOAMFGMV-FQEVSTJZSA-N 452.603 2.449 30 10 JEEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1C[C@H](c1cccc(C)c1)N1CCOCC1 1539376790 HGOSWOPZRXKMPT-JOCHJYFZSA-N 450.587 2.242 30 10 JEEE C#CCN(CCOC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC1(O)CC(OCC)C1 1539415476 DMDKXSVRIVRYIF-UHFFFAOYSA-N 491.633 2.409 30 10 JEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN([C@H](C)c2ccsc2)CC1 1539498891 YFEHUAYZSOWKOX-IAGOWNOFSA-N 482.701 2.199 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)Nc1cccc(Cl)c1 1539516764 CDFNVLLSECCRQH-HNNXBMFYSA-N 482.031 2.275 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@]2(CCCOC2)C1 1540861926 LPVKOIBAVVZMHU-XMMPIXPASA-N 452.559 2.456 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CCO[C@H](C#N)C1 1540865313 BPCGPNPCTBUDBO-CYBMUJFWSA-N 465.739 2.392 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(CC(=O)Nc2cccc(C)c2C)CC1 1540870485 ORUYOOLFDYRLHA-JOCHJYFZSA-N 495.628 2.199 30 10 JEEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(CC)[C@@H](C)C2)cc1 1540877587 ZLQYFDUSWJHCGW-ROUUACIJSA-N 462.620 2.032 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@H](C(F)F)C1 1540901565 IBMNDXYDLDPCAA-CYBMUJFWSA-N 457.503 2.088 30 10 JEEE CC(C)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCN2CCCO)[C@H](C)C1=O 1541557620 IFXQPYITTUBXKF-NFBKMPQASA-N 479.629 2.357 30 10 JEEE CCCN1CCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(N)=O)C1 1547211697 GNHFGCZMLPBYKZ-UXHICEINSA-N 451.575 2.305 30 10 JEEE CCn1cccc(Cn2c(CNC(=O)c3cccs3)nnc2N2CCC(C#N)CC2)c1=O 1547627643 GCERIKOYVABTHR-UHFFFAOYSA-N 451.556 2.239 30 10 JEEE Cn1nccc1C(=O)N1CC2(CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)C[C@@H]1C(N)=O 1548379527 DBXWSLVLWRHBMC-GOSISDBHSA-N 460.460 2.297 30 10 JEEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2CCCSC2)c1 1552880278 GGEZOCGREIETPU-WMZOPIPTSA-N 476.628 2.067 30 10 JEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C)CC(C)(C)CNC(=O)OC(C)(C)C 1587674607 GVIOBYPKRJTZCT-HNNXBMFYSA-N 452.577 2.234 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1cn(CCCC)nc1C)[C@@H]1CCS(=O)(=O)C1 1588055739 YUERHVJDOQYDKP-NHCUHLMSSA-N 474.631 2.500 30 10 JEEE C#CCN(c1nnc(COc2ccccc2OC)n1Cc1ccc(C#N)o1)[C@@H]1CCS(=O)(=O)C1 1588070344 ZBTGYIABIGEONP-QGZVFWFLSA-N 481.534 2.005 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccccc2F)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1588166523 IAUVYECGCDRJRE-PZJWPPBQSA-N 485.585 2.273 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1nccn1C(F)F 1588473772 UMKADJUJRZWHLO-CQSZACIVSA-N 481.504 2.307 30 10 JEEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@H]2NC(=O)CC2(C)C)CC1 1588864771 JXXIRRZNZMJOCP-OAQYLSRUSA-N 450.587 2.144 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)N(C)[C@H](C)c1ccccc1 1589068717 DAMLNFLXKFRKBA-QUCCMNQESA-N 489.667 2.202 30 10 JEEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 1589708622 QXZQYDQZEDDUMN-HUUCEWRRSA-N 455.606 2.065 30 10 JEEE C=C(C)COCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(N(C)C(C)=O)CC1 1593735547 KFVVKDRFJVGFOW-UHFFFAOYSA-N 479.585 2.232 30 10 JEEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N(C)CCN1CCOC(C)(C)C1 1593736020 VKOJYTFGJVOYPW-UHFFFAOYSA-N 460.579 2.146 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1595766354 PTODEXTZPRXNQK-FQEVSTJZSA-N 489.642 2.103 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CC[C@](O)(c2ccccc2F)C1 1595811955 IJVQKIXJCGQOQW-HSZRJFAPSA-N 471.558 2.102 30 10 JEEE CCS(=O)(=O)NCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC(C#N)CC1 1617383188 DPYORFHFAWMQQA-UHFFFAOYSA-N 453.572 2.481 30 10 JEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](O)CS(=O)(=O)c1cccs1 1631272336 LCZGWGBUJWVOCN-OLZOCXBDSA-N 452.982 2.035 30 10 JEEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)c1cnn(C2CCOCC2)c1 1664194365 QMTVLWKEZNWVTM-UHFFFAOYSA-N 452.577 2.258 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1689824405 ORYHKIREBANMNA-ZWKOTPCHSA-N 453.591 2.323 30 10 JEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CCN1CCOCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1689982740 SSXVYTNLFYUDEB-HXUWFJFHSA-N 492.045 2.336 30 10 JEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1C[C@H]1CCCOC1)[C@H]1CCS(=O)(=O)C1 1689993945 OBCXYPBPNYZYDK-RTWAWAEBSA-N 472.611 2.125 30 10 JEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1Cc1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1689994156 SHOTZNGZQVNVLP-HXUWFJFHSA-N 483.594 2.352 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC1 1690136377 CSQURZUUEBLGHO-FUHWJXTLSA-N 470.540 2.021 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@H](CC(C)C)N(C)C)CC1 1690148706 QMJJRJWZQVIDSH-QFIPXVFZSA-N 451.619 2.206 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccc2F)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1690249361 XJPDDSZLPDCFOW-MYJYVVNQSA-N 458.534 2.349 30 10 JEEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCC([C@H]2CCOC2)CC1 1690728992 CQIODXVEMIILLD-SFHVURJKSA-N 493.655 2.123 30 10 JEEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1692667597 HGFADOGWPYNXGL-OZOXKJRCSA-N 481.601 2.198 30 10 JEEE CC[C@H](C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC1(N(C)C)CCOCC1 1694115881 GDSHVJQGXYFDEN-IBGZPJMESA-N 452.607 2.496 30 10 JEEE CCN(CC)C(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2ccn(C)n2)CC1 1695601301 BMZCFOSMTDGEBL-UHFFFAOYSA-N 461.574 2.377 30 10 JEEE CN(CC(=O)N1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1C[C@](C)(O)c1cccs1 1696653845 FHAOIZMZPGEXDR-QHCPKHFHSA-N 466.567 2.081 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2C[C@H](C)N2CCN(CC)CC2)c1 1705504915 FWXDJSGMRBYZNN-NRFANRHFSA-N 488.640 2.366 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CCCN2CCCCC2)c1 1705505257 JZKHFONXRUYKSO-OAQYLSRUSA-N 463.586 2.161 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H](c1cccs1)N1CCOCC1 1705588145 XIOZUDWMKNRCPR-ONTIZHBOSA-N 469.611 2.210 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCCOC3)n2Cc2ccc(F)cn2)n1 1705632165 WRDWWBQJLRZLCZ-GOSISDBHSA-N 453.522 2.237 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H](C(C)C)N2CCOCC2)CC1 1705634319 RGLBIKZERSHUNJ-DEOSSOPVSA-N 482.629 2.074 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@](C)(O)CCOC)CC1 1705635854 NOBJWNABDVNKLS-LJQANCHMSA-N 468.421 2.312 30 10 JEEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1705901009 XIERINIVWYUMCN-UHFFFAOYSA-N 499.641 2.037 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1705931395 OSKRATIMJAUDPS-UZLBHIALSA-N 456.572 2.143 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC(NC(=O)c2cc(C)oc2C)CC1 1705931821 BJQIRCOFTLZOAY-UHFFFAOYSA-N 486.598 2.483 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cn2ccc3ccccc32)nnc1N1CCC[C@H](CNC(C)=O)C1 1705938116 NFPIKYXOVZVNSQ-HXUWFJFHSA-N 484.626 2.234 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@](C)(O)c2cccs2)c1 1722308872 HJFLPRMGBWAXAS-MHECFPHRSA-N 478.578 2.255 30 10 JEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2cc(OC)c(OC)c(OC)c2CC1 1722332863 POFLOHBIOSSGCQ-GOSISDBHSA-N 488.610 2.225 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@]1(C)CCO[C@H]1C1CC1)[C@@H]1CCS(=O)(=O)C1 1722358485 IEFBMHGAFDXKAK-NMMYMHLASA-N 491.658 2.028 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2COc3ccccc3O2)n1CCS(=O)(=O)CC1CC1 1722397379 PWELLUVAYJUPPF-OAQYLSRUSA-N 454.552 2.078 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H]1CCS(=O)(=O)C1 1722423895 SSSPFDBWMDLQPH-HNNXBMFYSA-N 452.964 2.128 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2CC2(SC)CCN(C)CC2)CC1 1722442698 ZKKPCCWCDPNEMO-UHFFFAOYSA-N 484.670 2.448 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2CC(=O)NCC=C)CC1 1722443424 IMNRYDWUFJLTCT-QGZVFWFLSA-N 480.638 2.399 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2CC2CN(C(=O)OC(C)(C)C)C2)CC1 1722448712 XTCUTCGNXPWLHF-UHFFFAOYSA-N 456.591 2.378 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2Cc2cn(CCCC)nc2C)CC1 1722450520 LBIAFVVYCHAVOW-OAQYLSRUSA-N 453.591 2.449 30 10 JEEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1722602634 AHBOMCCWFPQMIH-DLBZAZTESA-N 494.584 2.040 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1722725302 IRIMNUWALGUWJG-QGZVFWFLSA-N 464.563 2.459 30 10 JEEE C[C@H](CN1CCOCC1)Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1723876263 DXXMSONXGUWUIQ-GUDVDZBRSA-N 474.631 2.043 30 10 JEEE CCN(CCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](C(F)(F)F)C1)S(C)(=O)=O 1728494501 ICGVJRHCDVSAMU-QGZVFWFLSA-N 486.520 2.256 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1740616937 JFCDHBZWKUALSO-FYQPLNBISA-N 465.664 2.306 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CCNC(=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1740618762 BPYXJNCBLCAAAA-GOSISDBHSA-N 478.018 2.388 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@@H]1CSCCS1)[C@H]1CCS(=O)(=O)C1 1740626272 WLMXZHWWPIPZCC-DLBZAZTESA-N 468.695 2.406 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1CCCCN(C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1740628036 VBVPKIMLRFJSHH-RBBKRZOGSA-N 471.627 2.325 30 10 JEEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2CCCCN2CCOCC2)CC1 1740697042 PMIYBMKATFWBKT-UHFFFAOYSA-N 458.557 2.015 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CC2(CN3CCOCC3)CCCCC2)CC1 1740705691 LBKCCRNQLZVIJR-UHFFFAOYSA-N 456.635 2.089 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CO)(Cc2ccccc2)CC1 1740716902 DHPASZJFHYOIBQ-NRFANRHFSA-N 488.679 2.368 30 10 JEEE C#CCSCCn1c(Cc2ccsc2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1740721090 WULPHVHXNJAWNP-GHTZIAJQSA-N 472.684 2.286 30 10 JEEE C#CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CCN(c2ncccn2)CC1 1740724028 XJWNFWGZHRDHJV-UHFFFAOYSA-N 465.583 2.349 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1740760081 GOQKZLFQKZIKCA-LHHMISFZSA-N 456.513 2.283 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)nnc1[C@]1(OCC)CCOC1 1740964686 GROLXJVTCDKHNM-UUOWRZLLSA-N 492.621 2.068 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccn3C)n2CC2(NC(=O)OC(C)(C)C)COC2)C1 1740977436 VEKJINBYLKWIJG-KRWDZBQOSA-N 458.563 2.359 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCO[C@H](C(C)(C)C)C1 1740990758 FGJYUNZREVOBOV-SFHVURJKSA-N 486.598 2.446 30 10 JEEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1Cc1ccnc(OCC(F)(F)F)c1 1742835169 FSBINFCWQNPSSL-CQSZACIVSA-N 473.463 2.348 30 10 JEEE C#CCCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@@](C)(C(N)=O)C1 1748701608 MGNIDQOTYUNPSV-JOCHJYFZSA-N 457.604 2.052 30 10 JEEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(=O)N(C)C2CCCCC2)CC1 1748765617 NPYYWKXMAVQHFU-URXFXBBRSA-N 486.661 2.329 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1CC(=O)N(C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1748804445 HTTAJRARRSNJRP-QUCCMNQESA-N 457.600 2.077 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCc1ncc(CC)s1)[C@H]1CCS(=O)(=O)C1 1748817096 FCPULFAIEPHVCH-IRXDYDNUSA-N 463.629 2.060 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCOC3)n2CC2(O)CCCCCC2)n1 1748971058 BRLVXNCVXWAITK-HXUWFJFHSA-N 456.591 2.350 30 10 JEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cccc(OCC)n2)CC1 1749020312 OZNBNYWKLHJZJO-UHFFFAOYSA-N 469.615 2.001 30 10 JEEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1749085760 FBGALTNLMATRRS-HUUCEWRRSA-N 472.413 2.143 30 10 JEEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1749353933 DVIMCXAIOKAFOA-INIZCTEOSA-N 493.634 2.186 30 10 JEEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 1749427045 KHXYTGXNLNWKCV-QGZVFWFLSA-N 463.629 2.479 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c(-c2noc3c2COCC3)nnc1N1CC(=O)N(C)C[C@@H]1C)C(C)C 1749558138 QOFXLDYGYSZJOK-AZUAARDMSA-N 483.617 2.371 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1749658389 OYESWJVFHZJFAU-AWEZNQCLSA-N 455.943 2.053 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1749660430 OZNMHIPJBNDVGO-MZNJEOGPSA-N 471.558 2.039 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1749736926 SSPAXTYOTLZEEV-AUSIDOKSSA-N 460.600 2.162 30 10 JEEE CC[C@@H](C)[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NC(=O)COC)CC1 1752548464 GALFBJCPNQSTEE-OSPHWJPCSA-N 454.575 2.345 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CC2CCN(C3CC3)CC2)c1 1760126707 GYJZPSZXBSHDPZ-UHFFFAOYSA-N 477.613 2.347 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1CC1CN(C(=O)OC(C)(C)C)C1 1760222776 XURZXSIURKOPCN-PMACEKPBSA-N 457.575 2.332 30 10 JEEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1CC(F)(F)C1(OC)CCOCC1 1760223968 SEHWMHLYCVZWBJ-UHFFFAOYSA-N 460.529 2.434 30 10 JEEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCC(=O)Nc2cccc(Cl)c2C)CC1 1760261742 VXKOHHVZVSSFNQ-UHFFFAOYSA-N 484.004 2.146 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1760263817 PYKFZYFHGIDLDV-VXKWHMMOSA-N 499.660 2.364 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCCCC)CC1 1760268957 SNPUBUCZYVGMPX-UHFFFAOYSA-N 461.570 2.348 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC(O)(c2c(F)cccc2F)CC1 1760520802 ZZFQEDPJMQRFQZ-UHFFFAOYSA-N 454.481 2.409 30 10 JEEE CC(=O)N1CCN(CCn2c(-c3cc(Br)c[nH]3)nnc2N(CCC#N)CC2CC2)CC1 1760619923 AIVYUTGNEYDCPN-UHFFFAOYSA-N 489.422 2.330 30 10 JEEE Cc1nn(C)c(C)c1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(S(C)(=O)=O)CC1 1762389623 GFZVCLUSYIEQDF-UHFFFAOYSA-N 453.572 2.229 30 10 JEEE CNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCCO[C@H](C)C2)CC1 1769221137 BNBDORUFKIQABH-LJQANCHMSA-N 465.602 2.280 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1772660005 SITIDMCOPKBGKJ-IERDGZPVSA-N 482.006 2.369 30 10 JEEE O=C(CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)ON1C(=O)c2ccccc2C1=O 1772792077 GKMGNPMYAXXOJP-UHFFFAOYSA-N 462.789 2.392 30 10 JEEE C=CCOc1ccccc1[C@H]1C(C(=O)N(CCN)C(C)=O)=C(N)Oc2c1c(C)nn2-c1ccccn1 1865225761 ZBKHHJHSIXQCRO-JOCHJYFZSA-N 488.548 2.169 30 10 JEEE CCC[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1)C(=O)Nc1cccc(C#N)c1 1866592218 AFQZEIGGGBSFNC-QFIPXVFZSA-N 483.594 2.032 30 10 JEEE CC(=O)Nc1cccc(NC(=O)[C@H](CO)NC(=O)C2CCN([C@@H](C#N)c3cccs3)CC2)c1 1866866692 JLDNMAIDJUPQEG-PMACEKPBSA-N 469.567 2.099 30 10 JEEE O=C([C@@H](Cc1ccccc1)N=C1NS(=O)(=O)c2ccccc21)N(CCO)Cc1ccccc1 1869928069 OWCCCSRGSVWJHR-JOCHJYFZSA-N 463.559 2.358 30 10 JEEE C=CCn1cc(OCc2cc(Cl)cc3c2OCOC3)c(=O)cc1CN1CCN(CCO)CC1 1870588707 UMAXMXMKDTYPGR-UHFFFAOYSA-N 475.973 2.243 30 10 JEEE N#Cc1cccc(NC2=C(c3cc(F)c(F)cc3F)C(=O)N(CCN3CCOCC3)C2=O)c1 1873245502 JUMBFNVUYYVUAF-UHFFFAOYSA-N 456.424 2.500 30 10 JEEE C=CCN=c1nc2c(cnn2-c2ccccc2)c(Nc2ccc(S(=O)(=O)NC(C)=O)cc2)[nH]1 1873469931 ONPYETQOZYPULA-UHFFFAOYSA-N 463.523 2.404 30 10 JEEE C=CCn1c(C(=O)N2CCN(C)CC2)cc2c(N3CCN(c4ccccc4OC)CC3)ncnc21 1873562833 VOWWRAXLHBPNLU-UHFFFAOYSA-N 475.597 2.340 30 10 JEEE CC(=O)NCc1nnc(S)n1/N=C/c1cc(Br)c(O)c(Br)c1O 1874559039 RCTDULQPIGRGAT-HQYXKAPLSA-N 465.127 2.021 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H]1NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2247954112 YIADIKVBUJRPEL-CHWSQXEVSA-N 458.411 2.239 30 10 JEEE C=CCN(CC(=C)Br)S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2249457115 YKQRCDKGTSEZBS-OAHLLOKOSA-N 461.334 2.092 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C[C@@H](O)C1 2255659027 MIPQNJHVKADCSX-OAHLLOKOSA-N 452.382 2.101 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CC[S@@](=O)(=NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)C1 2255833873 IYHDNHOJBWPNBM-ICNDJQDOSA-N 471.410 2.348 30 10 JEEE CON(CCNC(=O)OC(C)(C)C)S(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2255949470 YXJGUMJMIXMECW-UHFFFAOYSA-N 456.370 2.063 30 10 JEEE COC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1nscc1B1OC(C)(C)C(C)(C)O1 2256595555 NCMGBCCNDOTCJY-GXTWGEPZSA-N 455.386 2.159 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](O)C[C@@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2256628692 LMBURYIVVXIRGT-CHWSQXEVSA-N 453.370 2.141 30 10 JEEE CN1CCN(C(=O)OC(C)(C)C)[C@@H](CNC(=O)c2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2267460417 KNIDPBHWZYQGPB-HNNXBMFYSA-N 465.425 2.328 30 10 JEEE CC(C)(C)OC(=O)N1CCC(F)(F)C[C@@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2268662596 BLMXICXACFJQRS-LLVKDONJSA-N 474.339 2.233 30 10 JEEE COc1ccc(NC(=O)[C@H](CCO)NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2268717487 XWGSHJZWUCGMIU-KRWDZBQOSA-N 450.341 2.209 30 10 JEEE Cc1c(C(=O)N[C@@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281796333 LEVGWEKGACQMIU-HZPDHXFCSA-N 462.400 2.451 30 10 JEEE Cn1ncc(C(=O)NC[C@@]23CC[C@H]2CN(Cc2ccccc2)C3)c1B1OC(C)(C)C(C)(C)O1 2281808598 QPTMNPHBYRNATL-UQBPGWFLSA-N 450.392 2.361 30 10 JEEE CC1(C)OB([C@H]2C[C@H](C(=O)N3CC(O)(C4CCN(C(=O)C(F)(F)F)CC4)C3)C2)OC1(C)C 2281953959 RJQDWOSIGNRTKW-CTYIDZIISA-N 460.302 2.233 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N=[S@@](C)(=O)CCN(C)C(=O)OC(C)(C)C 2281964974 FXTZRUDCMQAQSZ-XIFFEERXSA-N 484.428 2.307 30 10 JEEE Cn1cc(C(=O)N2CC3(CCN(C(=O)OC(C)(C)C)CC3)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2281968300 CTXWNFBWTAYRAV-UHFFFAOYSA-N 460.384 2.192 30 10 JEEE Cn1nc(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccco2)cc1B1OC(C)(C)C(C)(C)O1 2281981601 OFBROPHRJKNSKU-OAHLLOKOSA-N 460.340 2.308 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H](C)C2(O)CN(C(=O)OC(C)(C)C)C2)c1 2282122820 MNZFXWRCKLTCTF-MRXNPFEDSA-N 460.380 2.394 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](CO)[C@H](NC(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282191238 MMHJIRIRMDIZOL-IEBWSBKVSA-N 460.380 2.334 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2C(NS(=O)(=O)c3ccc(F)c(B4OC(C)(C)C(C)(C)O4)c3)[C@@H]2C1 2282499536 DJDFISGELSMHEO-HUUCEWRRSA-N 482.383 2.269 30 10 JEEE C[C@H](NC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1)C1(O)CCN(C(=O)OC(C)(C)C)CC1 2282521971 DUYQZYUIRIIKLB-AWEZNQCLSA-N 481.424 2.323 30 10 JEEE Cn1cc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CCC2(C)C)nc1B1OC(C)(C)C(C)(C)O1 2282555784 YNSQLXDJFIGQGD-INIZCTEOSA-N 462.400 2.485 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@H]1NC(=O)c1c(F)cc(B2OC(C)(C)C(C)(C)O2)cc1F 2282567292 LQTYHPYHWJDUAM-HZPDHXFCSA-N 468.306 2.286 30 10 JEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2CCN(Cc3ccccc3)C2(C)C)n1 2282620479 FVSSXSPNRBPEQQ-SFHVURJKSA-N 453.396 2.145 30 10 JEEE CC(C)(C)OC(=O)N[C@@]12CC[C@@H](CN(C(=O)c3ncc(B4OC(C)(C)C(C)(C)O4)cn3)C1)C2 2282624963 PCLKXEXFWFQSMD-IQMFZBJNSA-N 458.368 2.295 30 10 JEEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1C[C@H]2CC[C@H]1N(C(=O)OCc1ccccc1)C2 2282698939 GCSHEQIDWHCIAH-CEXWTWQISA-N 495.389 2.034 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H]1C(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)ccc1F 2283948238 KSKFXWMVPUEJEF-FUHWJXTLSA-N 464.343 2.111 30 10 JEEE Cn1nccc1[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2283980779 DLVYXDZRYFSKSU-INIZCTEOSA-N 477.396 2.058 30 10 JEEE C=CCN1C(=O)[C@]2(C(=C(O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCOC)c2ccccc21 2296173551 OFZRXVMZYOLWRA-AREMUKBSSA-N 476.485 2.213 30 10 JEEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2319391573 RXUGQNSQVVBAGS-HYBUGGRVSA-N 461.628 2.324 30 10 JEEE COc1ccc(N2C[C@@H](c3nnc(SCC(N)=O)n3N=Cc3ccc(F)cc3)CC2=O)cc1 2325880764 JOWDBUZFYCSIGO-HNNXBMFYSA-N 468.514 2.406 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](C1)[C@H](NC(=O)c1cc(B3OC(C)(C)C(C)(C)O3)n[nH]1)C2 2359267832 GWAHWRMFPJCPEA-BZUAXINKSA-N 460.384 2.474 30 10 JEEE COCCOc1ccc(Br)cc1C(=O)NC(=S)Nn1c(C)cc(C)c(C#N)c1=O 14662972 YMYXHSWLPOMQPD-UHFFFAOYSA-N 479.356 2.383 30 10 JEEE CCOCCCNC(=O)/C(C#N)=c1/s/c(=C/c2ccc(C)o2)c(=O)n1-c1ccccc1C 33625987 XNAUKBUFPXUPSS-FIXAYNGVSA-N 451.548 2.155 30 10 JEEE C=CCn1c(CN(CCN2CCOCC2)C(=S)NCC)cnc1S(=O)(=O)Cc1ccccc1 36032352 ZCGFEDIBOBMAJY-UHFFFAOYSA-N 491.683 2.072 30 10 JEEE C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Br)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO 96031263 XNZYFPXDQDPHGR-CXSFZGCWSA-N 453.373 2.321 30 10 JEEE in-vitro C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H]1COc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 204869800 VCGONEKUAJLLDH-WMZOPIPTSA-N 490.410 2.449 30 10 JEEE Cn1nccc1[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC#CC(=O)O 757474069 GUBNJGNQMBBUNU-HSZRJFAPSA-N 458.474 2.204 30 10 JEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc(N2CCCC2=O)cn1 1151537010 FBTPKPTUADELQG-KRWDZBQOSA-N 455.540 2.300 30 10 JEEE CCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)N1CC[C@@](F)(C#N)C1 1197539794 GHHZZPLTCBATFX-HXUWFJFHSA-N 453.540 2.023 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1CCNS(=O)(=O)c1ccc(C)s1 1286287617 GJUFYCORWKOFMV-AWEZNQCLSA-N 473.580 2.480 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1Cc1cnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1286387779 HZJAERWMGFUHIQ-MRXNPFEDSA-N 487.607 2.402 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC1(N2CCOCC2)CC1 1286419228 OIWNJCDUKSPQPL-UHFFFAOYSA-N 460.582 2.475 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1COCCO1 1286460304 DLTLRFLGJWPWHK-IBGZPJMESA-N 469.542 2.464 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCc2ccc(OC)c(F)c2)CC1 1286469685 JHKYMLNBXCAMHZ-UHFFFAOYSA-N 463.517 2.071 30 10 JEEE C#CCN1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(N3CCO[C@@H](C)C3)nc2)CC1 1286478318 CXOBCPNNPSCXEX-FQEVSTJZSA-N 451.619 2.290 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@]2(OC)CCOC2)CC1 1286488875 WUGRZLDZCKCBHO-DEOSSOPVSA-N 489.523 2.318 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@H](C)N2CCOCC2)CC1 1286492058 FGCCFATUGLRGLE-QFIPXVFZSA-N 494.640 2.160 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CCCN2C(=O)NC3(CCCC3)C2=O)CC1 1286493785 PYLHNILLSPSTCY-UHFFFAOYSA-N 497.644 2.087 30 10 JEEE C#CCSCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC2(CC1)COC(=O)N2 1286498873 BKQUFMOGOHXFKX-UHFFFAOYSA-N 487.582 2.416 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccc2OC)nnc1N1CCC(OCC(N)=O)CC1 1286557189 HMYIBEUXVYNDEL-DVECYGJZSA-N 469.586 2.329 30 10 JEEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1286666639 CSSPDWJCMGVPOJ-KRWDZBQOSA-N 472.619 2.084 30 10 JEEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(=O)C(C)C)CC1 1286667834 NDEYVLFFCVDMCB-KRWDZBQOSA-N 454.641 2.185 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCS(=O)(=O)NC 1286757332 LKNDTEYYZFXJGD-QGZVFWFLSA-N 468.624 2.120 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1286779856 NTCIGKQFUXTLIF-QVKFZJNVSA-N 476.375 2.394 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(Cc3csc(C)n3)n2CC2CCS(=O)(=O)CC2)C1 1286813185 XTQGFKIDVDEIAQ-SFHVURJKSA-N 451.618 2.240 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1c1ccccc1OC 1286821081 ZXNIOIHCPWMKJA-PKOBYXMFSA-N 494.639 2.131 30 10 JEEE CC(=O)Nc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2ccc(C#N)cc2)cn1 1286894409 DLVVRRGQRHKVQX-FQEVSTJZSA-N 479.566 2.090 30 10 JEEE C[C@@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCC#N)CC1CC1)c1nccs1 1288651068 DNIKHFYBLZHEEJ-DOTOQJQBSA-N 479.632 2.001 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CC1(SC)CCC1)[C@@H]1CCS(=O)(=O)C1 1300479820 SPPRZLUQIKLZAH-QGZVFWFLSA-N 467.661 2.109 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1Cc1ccc(C)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1300479854 SYMLAJVGRPHCRZ-FQEVSTJZSA-N 487.626 2.189 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@@H]1CCOC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1300498180 IGMBJFKXPKZIHG-SQNIBIBYSA-N 478.565 2.446 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1c(C)noc1C 1300538464 QRNXCJDOKLXDNN-LJQANCHMSA-N 454.531 2.312 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(F)ccc3Br)n2CC[C@@H]2COCCO2)CC1 1300689580 ZBERMJLETCFPSR-QGZVFWFLSA-N 478.366 2.407 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC2(COC)CCOCC2)CC1 1300691013 MIMNCCCVCUSACS-UHFFFAOYSA-N 469.586 2.161 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCOc2ccccc2C)CC1 1300708140 OQLXEDBWEVMCDP-UHFFFAOYSA-N 464.595 2.412 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@H](C)N(C)C)CC1 1300730925 HCRPQSPLNANYMM-HXUWFJFHSA-N 452.603 2.390 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 1300843659 DFDWULUCHQFYJD-KWCYVHTRSA-N 469.384 2.487 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)CC1 1301087222 YAEVDQGGEUPSLU-MSOLQXFVSA-N 498.650 2.023 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(N(C)C)cc2C)CC1 1301124051 FPWYMKHIFYLXAI-QFIPXVFZSA-N 488.658 2.436 30 10 JEEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](C(=O)N(C)c2ccccc2)C1 1301251679 GMWOTDWJQKBQKA-UYAOXDASSA-N 452.559 2.311 30 10 JEEE C=CCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N(CCS(C)(=O)=O)C1CC1 1301454083 ITJTWDWXRMYUHO-UHFFFAOYSA-N 456.572 2.264 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCc2ccc(OC)cc2)nnc1N1C[C@H]2CCCN2C[C@H]1C 1301585867 GCZTWGUSFCBQOE-TZIWHRDSSA-N 473.643 2.346 30 10 JEEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccc1F 1301612292 KXNSYWHYJHKHCX-GOSISDBHSA-N 469.608 2.306 30 10 JEEE C[C@H](NC(=O)[C@@H](C)N1CCC(Oc2cccc(C#N)c2)CC1)c1ccc(S(N)(=O)=O)cc1 1307462429 DYHJOIGNDCNRIT-DLBZAZTESA-N 456.568 2.315 30 10 JEEE CN(C)C(=O)Cn1c(-c2cccnc2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1314639433 CMSOJPWLGXNSJS-UHFFFAOYSA-N 450.934 2.280 30 10 JEEE C#CCN(C)c1nnc(CCOc2ccccc2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1358951584 CVXAFJOULUARCQ-FPOVZHCZSA-N 457.600 2.173 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(N(C)C)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1358966767 WLVUNISISXGTNR-HXUWFJFHSA-N 499.616 2.020 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2C[C@@H](F)COC)CC1 1359032811 DHDYFDXCWNSTRL-MRXNPFEDSA-N 466.355 2.456 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCc2c[nH]c3c(C)cccc23)CC1 1359040108 IMPSVYKVELMMHS-UHFFFAOYSA-N 475.597 2.415 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCOc2ccc(Cl)cc2)CC1 1359040298 ONRIAGVAKSNRTA-RXVVDRJESA-N 459.978 2.490 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC2([S@](C)=O)CC2)CC1 1359040794 GSHCYMCHGDPSSB-INDDNBPWSA-N 487.601 2.434 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@@H](C)CN(C)C(=O)OC(C)(C)C)CC1 1359043691 DSFQLTLRPLOCHK-SFHVURJKSA-N 496.616 2.204 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2C[C@H]2NC(=O)CC2(C)C)CC1 1359046709 CEFBNSAHAMJQFU-OAQYLSRUSA-N 478.597 2.046 30 10 JEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](CNC(=O)c2ccccc2)C1 1359131892 IFHSUAXXEDEIHQ-PZJWPPBQSA-N 466.586 2.468 30 10 JEEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1359137646 WELNUDOYGMLROY-LUVDPRQJSA-N 450.580 2.368 30 10 JEEE C=C(Cl)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(CC(=O)NCCOC)CC1 1359151968 IBXKMLKPQBFRJR-UHFFFAOYSA-N 467.401 2.159 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3F)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1359317509 KGCOLFXQYQWZTF-UMIVRTMYSA-N 452.490 2.392 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N(C)CCc1cnccn1 1359327700 IHZRKKUGQQJMTP-UHFFFAOYSA-N 494.419 2.116 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2ccc(F)cc2Cl)C1 1359332459 YGKORRCKKZPVBW-MSOLQXFVSA-N 497.980 2.200 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@]2(CC=CCC2)C1 1359333022 MMKFJFWSGUBPHG-GHTZIAJQSA-N 468.645 2.108 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1359333483 ZCPLRWUXGWVONP-RCCFBDPRSA-N 483.635 2.122 30 10 JEEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCN(c2cc(F)ccc2F)CC1 1359335210 DMIRQNQHPRAYSH-UHFFFAOYSA-N 455.531 2.020 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@H](c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCS(C)(=O)=O)C1 1359555733 BCIXBSYGTPGZOA-HRAATJIYSA-N 484.598 2.269 30 10 JEEE CC(=O)N1CCc2c(sc(NC(=O)c3cccn(CC(=O)OC(C)(C)C)c3=O)c2C#N)C1 1438002787 ZDLXBPDHNQETOO-UHFFFAOYSA-N 456.524 2.280 30 10 JEEE COc1cc(NC(=O)N2CCCN(S(=O)(=O)c3c(C)noc3C)CC2)c(F)cc1C#N 1467073345 AKGHARZTXDZXRV-UHFFFAOYSA-N 451.480 2.239 30 10 JEEE CN(C)S(=O)(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[C@@](C)(C#N)C1 1503406099 CYNVOIHEOPPYQJ-QFIPXVFZSA-N 468.587 2.152 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OCC)CCOC3)n2C[C@](C)(O)C2CC2)c1 1507549660 KGCFNJMRNNHKDE-DQEYMECFSA-N 467.570 2.147 30 10 JEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)N(C)[C@H](C)c1ccccc1 1507592234 QYSVKUACKSXYLM-UYAOXDASSA-N 457.600 2.249 30 10 JEEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1CCN(C(C)=O)CC1 1507692447 YJHCIAYNRJOUAI-HXUWFJFHSA-N 474.606 2.305 30 10 JEEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1Cc1nc2cc(OC)ccc2n1C 1507713539 NUBQSXATNLNHRK-UHFFFAOYSA-N 462.558 2.169 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1507722925 NYWNWTMDZSFLQE-LEWJYISDSA-N 469.586 2.038 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCNC(=O)[C@H](C)CCC)CC1 1507737971 DXZAXHJLGRAOPU-UYAOXDASSA-N 458.607 2.038 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1507784967 NNZYKGWGPLDSLB-OAHLLOKOSA-N 476.441 2.379 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1507793916 CHCJSHRAIPEDOK-NEWSRXKRSA-N 461.544 2.458 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1507802355 ABJJMJZGNQFRBR-UTKZUKDTSA-N 494.687 2.475 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCO[C@H](C(=O)NC)C1 1507802703 CPQDHPFNJXLYEK-JYWFKMLOSA-N 473.549 2.490 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCCS(=O)(=O)C1 1507814231 FNKNVYYHFZKJFU-QGZVFWFLSA-N 456.576 2.148 30 10 JEEE C=C(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C)[C@H](OC)C1)c1ccccc1 1507850772 BAUBSTIODCMWQG-WMQCIHAUSA-N 475.615 2.186 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1508136929 JCJHCAGLKREETA-ROUUACIJSA-N 463.991 2.447 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(Cc2csc(C)n2)CC1 1508141592 NNSCWTKWZMZBLK-IBGZPJMESA-N 480.660 2.208 30 10 JEEE N#Cc1ccc(N2CC[C@H](C(=O)N3CCCN(S(=O)(=O)c4ccccc4)CC3)C2)c(F)c1 1518273573 BMGWLLLNDRUFCD-IBGZPJMESA-N 456.543 2.447 30 10 JEEE C#CC[C@H](NC(=O)c1ccc(F)c(S(=O)(=O)N2CCN(C(C)=O)CC2)c1)c1ccccc1 1526258957 VHJITGSKVGYEGE-NRFANRHFSA-N 457.527 2.173 30 10 JEEE C#CCN1CCN(c2nnc(-c3cnccn3)n2C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 1539446011 NVUSRNZGXXXMQD-LJQANCHMSA-N 466.590 2.137 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@](C)(O)CCC(C)C)CC1 1539459425 HBLXTJOACFAQRE-HSZRJFAPSA-N 458.632 2.212 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2Cc2c(CC)nn(C)c2OC)CC1 1539461702 ITLVLWSFOXMNIM-UHFFFAOYSA-N 467.549 2.104 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCCNC(=O)OC(C)(C)C)CC1 1539481134 IGYQDWGXLGZFCF-IBGZPJMESA-N 474.606 2.053 30 10 JEEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1539519407 GFJCDBFPMBVLRE-IBGZPJMESA-N 464.599 2.028 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCNC(C)=O 1539556309 BCKRXUSKZIZZKS-FDDCHVKYSA-N 460.579 2.105 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccc2F)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1539637358 PNUJBMJOXYCKLX-JLMWRMLUSA-N 477.606 2.459 30 10 JEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1539744236 GGFJRKKMOQGYBP-LJQANCHMSA-N 455.519 2.057 30 10 JEEE C=CCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1539983013 UKULOEPGEWUZGQ-RDJZCZTQSA-N 458.950 2.185 30 10 JEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2ccccc2)C[C@H]1C 1540036037 JXDXFTUWOHPRRI-IRLDBZIGSA-N 473.643 2.484 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1cccc(Cl)c1 1540201223 QTDUGYBZBYKMKX-HRAATJIYSA-N 469.007 2.380 30 10 JEEE C=CCN(CCOC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCS(C)(=O)=O 1540201531 XBIUMEVUTDPEFP-UHFFFAOYSA-N 471.624 2.076 30 10 JEEE Cc1nnsc1Cn1c(C(=O)NC(C)C)nnc1N1CCCN(c2ccccc2C#N)CC1 1542094046 GTQFSFZLPDUEIX-UHFFFAOYSA-N 465.587 2.213 30 10 JEEE Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)CC#N)n2CCS(=O)(=O)Cc2ccccc2)n1 1543006080 GAXZJOOBJUBNFH-SFHVURJKSA-N 455.588 2.493 30 10 JEEE CCOC1CC(O)(Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)C1 1548039437 HTVQJYDEJWYSDA-QQDJVLKOSA-N 461.588 2.005 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCCC(F)(F)C1 1587638990 IQNKTINIBXNQSJ-BBWFWOEESA-N 459.563 2.285 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)CC)n2CC2(C(N)=O)CCOCC2)c1 1587684066 RVSDEDVQZNARCY-KRWDZBQOSA-N 452.559 2.130 30 10 JEEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCc2cc(OC)c(OC)c(OC)c2CC1 1587803884 PDURAFRCZAQIBT-UHFFFAOYSA-N 455.559 2.461 30 10 JEEE C#CCCCn1c(Cc2ccccn2)nnc1N1CCCN(Cc2nc([C@@H](C)OC)no2)CC1 1587868999 HOHCKHBJMGGXKS-LJQANCHMSA-N 464.574 2.480 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@H](OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1588035573 VJFPQNLDTNKRFS-WBVHZDCISA-N 482.404 2.087 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC1([S@](C)=O)CC1 1588124498 MSZRJDAVMRXBBF-XIFFEERXSA-N 462.579 2.220 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCN1CCCO[C@H](C)C1 1588128154 DZMDZIUQNSUOGN-LJQANCHMSA-N 459.554 2.168 30 10 JEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H](c1ccco1)N(C)C 1588138767 IVOCWPBVDQHWNR-OAQYLSRUSA-N 458.570 2.421 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2C[C@@H](C2CC2)N(C)C)CC1 1588913320 HEQOUILPZJZGFE-NRFANRHFSA-N 450.587 2.260 30 10 JEEE C#CCSCCn1c(-c2cn(C)c3ccccc23)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1589047762 IMAWKUXUXLSLKC-GOSISDBHSA-N 467.620 2.430 30 10 JEEE C#CCSCCn1c(N2CC(=O)N(C)[C@@H](C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1589124946 FNXAWHGGXFCECA-YESZJQIVSA-N 462.620 2.082 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)N(C)Cc1ccccc1 1589151310 WZGYOYLJWYBJAK-SFYKDHMMSA-N 458.632 2.401 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)c1c(C)noc1C 1589664263 WRKWBVVFBJDHRX-CRAIPNDOSA-N 466.608 2.422 30 10 JEEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1594813076 NWNTYRXIFNKFBG-SFHVURJKSA-N 479.578 2.025 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@H](C)[C@H](OC)C1 1595466703 MEOFPJROWXTVQJ-CRAIPNDOSA-N 460.966 2.025 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1595516995 MJBSAHYVQIIOFK-QZTJIDSGSA-N 476.375 2.394 30 10 JEEE C=CCOc1ccc(Cn2c(N3CCC(C(N)=O)CC3)nnc2[C@@]2(OCC)CCOC2)cc1 1595639854 MNLPTWQGPMPEAS-XMMPIXPASA-N 455.559 2.245 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1595773224 UZIPFOYUJDEKBE-SFHVURJKSA-N 459.576 2.497 30 10 JEEE C#CCNC(=O)CN1CCCN(C(=O)[C@H](C)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)CC1 1627015243 LTNNLKYHJPFGOP-DENIHFKCSA-N 456.587 2.172 30 10 JEEE C=CC[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1)C(=O)OCC 1632656599 VEIVNZUBDKTIKT-ZQIUZPCESA-N 458.964 2.376 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC3(CCN(C(=O)OC(C)(C)C)C3)C2)s1 1647977114 KNEWTGYZQCHZMS-UHFFFAOYSA-N 455.602 2.224 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCN(C)CCCOC 1689853457 TYIQYNXKHWNLOX-MOPGFXCFSA-N 464.611 2.013 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OCC)CCOC3)n2C[C@H]2CCCOC2)c1 1689868769 QEQYNVCZOBUTSW-NLFFAJNJSA-N 467.570 2.413 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H](CC=C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1689977905 GUNJULOREAIVEA-RTWAWAEBSA-N 469.611 2.403 30 10 JEEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCc1ccccc1C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1689987897 FABGSSHSVCIZFW-AEFFLSMTSA-N 495.527 2.117 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CC(C)(C)N1CCC(OC)CC1 1690031233 DBMWJCKNEGGUHM-UHFFFAOYSA-N 463.586 2.278 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H]1CCOC[C@H]1C 1690101260 UVTKDCJIHUDSDJ-MOPGFXCFSA-N 464.570 2.434 30 10 JEEE C=C(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1690287500 FCRRQDIWGZHDEG-SFHVURJKSA-N 487.605 2.441 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC(NC(C)C)CC1 1690661966 MSHKPVNFEJHJOJ-UHFFFAOYSA-N 464.412 2.315 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC(NC(=O)c2cc(C)oc2C)CC1 1690671023 NOEVTRVNFAINHB-SFHVURJKSA-N 470.574 2.083 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCCOCC1 1690723100 HUAPDIIAMRVRJN-UHFFFAOYSA-N 486.598 2.063 30 10 JEEE C=CCS(=O)(=O)CCn1c(N(C)C2Cc3ccccc3C2)nnc1[C@@]1(OCC)CCOC1 1690731555 LNRDIMREAHCOKY-HSZRJFAPSA-N 460.600 2.135 30 10 JEEE CC(C)(C)C(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCOC2=O)CC1 1691026449 DOGABZZPAXAIFN-UHFFFAOYSA-N 465.558 2.354 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CCc1c[nH]c2cc(F)ccc12 1692773106 BILDLHCJODWKQP-CQSZACIVSA-N 459.551 2.491 30 10 JEEE CCO[C@@]1(c2nnc(N3CCC(Oc4cccc(C#N)c4)CC3)n2CC(=O)N(C)CC)CCOC1 1696059297 DWJBNCNBCQTRFR-VWLOTQADSA-N 482.585 2.328 30 10 JEEE COCCN(CCC#N)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@]1(O)CCO[C@H]1C 1698058296 DNZRRIQVKRINEI-GAJHUEQPSA-N 451.531 2.242 30 10 JEEE N#Cc1cccc(-c2nnc(N3CCN(CC(F)(F)F)CC3)n2CCCN2CCOC2=O)c1 1698485552 HLVDBUGVEGYFAN-UHFFFAOYSA-N 463.464 2.343 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCS(=O)(=O)C(C)(C)C 1705490183 DJCKVEGSGNZRQH-MRXNPFEDSA-N 470.599 2.346 30 10 JEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C(C)=O)cc2F)CC1 1705532348 MGVOSNYNUUHGGE-LJQANCHMSA-N 473.574 2.262 30 10 JEEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1705551407 NEAOQOHVLHEDKH-JYJNAYRXSA-N 463.526 2.049 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CCOc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1705570280 NUXTYSWOHQCDJK-HXUWFJFHSA-N 469.542 2.109 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1CCCN(C(C)=O)C1 1705623254 LLXGOUOPVPDNLW-LJQANCHMSA-N 455.559 2.307 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H](C(C)C)N2CCCC2)CC1 1705633887 AYRWNZXNFFYVIL-QHCPKHFHSA-N 484.670 2.224 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H](c2ccc(F)cc2)N(C)C)CC1 1705634970 NUVDAMTVBOPLMZ-WIOPSUGQSA-N 470.593 2.127 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CCCO[C@@H]2CCOC2)CC1 1705650299 OSZCHZYPHYNTDV-JOCHJYFZSA-N 469.561 2.169 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCCN1C1CC1 1705716317 GYVSOLLXVVNQHV-WOJBJXKFSA-N 466.652 2.030 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1705722344 HAMXIJDHOLPDEW-UHFFFAOYSA-N 479.566 2.306 30 10 JEEE C=C(C)Cn1c(N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1705728781 XFMCQVSENBKZBJ-GHTZIAJQSA-N 455.625 2.003 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC(OCC(N)=O)CC1 1705740782 WPUUFRHYIIOFKV-IBGZPJMESA-N 492.621 2.414 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1705906477 GVZPGMZKTMTRTQ-IBGZPJMESA-N 454.575 2.209 30 10 JEEE C=CCOc1ccccc1Cn1c(-c2ccccn2)nnc1N1CCC(NS(C)(=O)=O)CC1 1705912794 UVAISARQJYRIKS-UHFFFAOYSA-N 468.583 2.471 30 10 JEEE CN(C)C(=O)[C@@H]1CCCN1CCCn1c(-c2ccccc2F)nnc1N1CC[C@](F)(C#N)C1 1710972088 BPJWKDKNYCQWGD-CVDCTZTESA-N 457.529 2.469 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1722287409 PIFBRWOCXLUFGS-WMQCIHAUSA-N 452.584 2.479 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2CC2(S(C)(=O)=O)CCC2)c1 1722305176 MQUDGGWBVUMDGB-UHFFFAOYSA-N 478.578 2.364 30 10 JEEE C#CCCCn1c(COc2ccccc2CC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1722339873 FPMZAPCGRAAGTE-LJQANCHMSA-N 450.543 2.306 30 10 JEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(SC)CCN(C)CC1 1722354667 IWINBPPARNYDRO-SFHVURJKSA-N 478.663 2.483 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@H](C)N1CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1722362301 SNAGKBVNUUVDFH-JBACZVJFSA-N 470.643 2.396 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1ccccc1COCC)[C@@H]1CCS(=O)(=O)C1 1722365547 FNCWOMWKISYFOB-FCHUYYIVSA-N 472.611 2.384 30 10 JEEE C#CCN(CC)c1nnc(-c2cc(Br)cn2C)n1CCc1ccc(S(N)(=O)=O)cc1 1722405576 NIEDQVQYALZOTP-UHFFFAOYSA-N 491.415 2.396 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCn2ccnc21 1722417381 FROGXFYGEFMBNW-PKOBYXMFSA-N 485.589 2.441 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(OC)nc2OC)CC1 1722442806 CWSIKGMTPIIYHO-UHFFFAOYSA-N 495.971 2.420 30 10 JEEE C#CCSCCn1c(N2CC(C)(C)O[C@]3(CCOC3)C2)nnc1[C@]1(OCC)CCOC1 1722464041 SXCUQVHPGHWCNS-YADHBBJMSA-N 450.605 2.071 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@H](C)CS(=O)(=O)CC 1722491297 JUQGIKXYQVOGNJ-AOIWGVFYSA-N 476.603 2.166 30 10 JEEE C=C(C)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1722524277 YPSYNCZJJDFDDB-KRWDZBQOSA-N 481.569 2.354 30 10 JEEE C=CCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1722684281 GGWPWFGVNXXZKE-UHFFFAOYSA-N 470.574 2.100 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCO[C@H](c2ccc(F)c(F)c2)C1 1722700463 KESCBLIRUBLFIS-FQEVSTJZSA-N 454.481 2.422 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCC[C@@H](SC)C1 1722736961 NZSYXNJOWBLAGQ-KSZLIROESA-N 458.650 2.325 30 10 JEEE CCOCc1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1C[C@@H]1CCS(=O)(=O)C1 1729066545 FXIKJMRHWRBYHO-KRWDZBQOSA-N 479.006 2.101 30 10 JEEE COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nnc(C(C)(C)C)s2)CC1 1730418332 FMPHIIKGLMYQBF-UHFFFAOYSA-N 480.598 2.309 30 10 JEEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1740581967 IENRNEGXOBTOJH-QHCPKHFHSA-N 474.583 2.399 30 10 JEEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1cccc(Br)n1 1740604868 ITJHZZKTTIVRDK-UHFFFAOYSA-N 450.304 2.196 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCCNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1740627098 OHOOEICQFITGJH-MSOLQXFVSA-N 481.619 2.061 30 10 JEEE C#CCN1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@@](C)(O)CC)CC1 1740696244 PETZCUYNWQHNIP-DEOSSOPVSA-N 460.623 2.309 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](CC)c3ccccc3)n2CCNC(=O)C2CC2)CC1 1740703301 MXSIAGNKBPGUNO-JOCHJYFZSA-N 462.598 2.312 30 10 JEEE C#CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(CC)[C@H](C)C1 1740715899 PNTXNQHMCHYUMP-QGZVFWFLSA-N 461.661 2.135 30 10 JEEE C=C(C)COCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1740787445 DCDPWIKQJLHBBK-UHFFFAOYSA-N 479.603 2.027 30 10 JEEE C=C(C)COCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC[C@H](NC(C)=O)C1 1740792023 DXYCOWYJYBLFDB-IBGZPJMESA-N 479.585 2.373 30 10 JEEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1740795511 WJQWUGIGBWGAOT-NRFANRHFSA-N 475.615 2.027 30 10 JEEE C=CC[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1)c1ccccc1 1740856349 SGVRJKCLBHAMSL-HMXCVIKNSA-N 486.642 2.355 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCN(c2ncccc2F)CC1 1740961669 HGNRDAICSFQBEH-UHFFFAOYSA-N 465.533 2.040 30 10 JEEE C=CCOc1ccccc1Cn1c(-c2cnn(C)c2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1740969741 WABOIYJPURIXTE-IBGZPJMESA-N 456.572 2.305 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](COC(C)C)C1 1740988238 XZYRJZINAACDTJ-FQEVSTJZSA-N 459.572 2.048 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2CC(C)(C)C(=O)NCC)c1 1748694582 JLQFVZPMEZTOOM-UHFFFAOYSA-N 473.581 2.482 30 10 JEEE C#CCN(c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC(=O)N(C)CC)[C@H]1CCS(=O)(=O)C1 1748808819 ODTIMXNEHXEULG-FQEVSTJZSA-N 471.627 2.348 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CC1([S@](C)=O)CCC1)[C@H]1CCS(=O)(=O)C1 1748809489 UKJRSEORAKDRPR-GEFUHLBYSA-N 474.652 2.435 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1CCCn1cc(Br)cn1)[C@@H]1CCS(=O)(=O)C1 1748817221 GRJWADCDSAEULT-QGZVFWFLSA-N 483.436 2.153 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Cl)n2CC(=O)NCc2ccco2)CC1 1749011112 VBRCSTZGTFHDNM-UHFFFAOYSA-N 480.956 2.474 30 10 JEEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](CN2CCOCC2)C1 1749114700 FTSYKYAEUDZKSU-QYZOEREBSA-N 484.439 2.459 30 10 JEEE C=CCN(CC=C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(=O)NCC(F)(F)F 1749573103 LBLSTRBGYWJULR-UHFFFAOYSA-N 461.448 2.049 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C2CCC2)CC1 1749740158 RFJFDNIBCDNYGQ-UHFFFAOYSA-N 470.599 2.004 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](OC)c1ccc(Cl)cc1 1760115962 CZPFRHHDOKEBBF-SNRMKQJTSA-N 482.006 2.110 30 10 JEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cc(Cl)ccn1 1760137212 GUZOEASZNHQHRP-GOSISDBHSA-N 466.995 2.099 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H]1CCCN1CC)[C@@H]1CCS(=O)(=O)C1 1760183564 RJVWABLEYKPHEV-FCHUYYIVSA-N 498.653 2.258 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H](OC)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1760188218 NOQXTIRCZOEDJJ-NJYVYQBISA-N 458.584 2.187 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1Cc1cccc(C(=O)N(C)C)c1 1760205274 VZWKTFVLBGQCHL-UHFFFAOYSA-N 451.534 2.340 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCCCN2CCCC)CC1 1760265222 SKDZPIIEBZAWOL-NRFANRHFSA-N 471.650 2.037 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2CC(C)(C)C(=O)NCC)CC1 1760268055 KPESWVNMUGLANO-UHFFFAOYSA-N 466.586 2.082 30 10 JEEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1760275973 PNAIGFOKAHXQFI-PMSBKCLSSA-N 489.667 2.159 30 10 JEEE C=C(Br)Cn1c(COc2ccccc2OC)nnc1N1CCS(=O)(=O)CC1 1760311899 DRLKSELUPVVNIX-UHFFFAOYSA-N 457.350 2.009 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCN(c2cnccn2)CC1 1760316735 WJGFVLVGHPTWBX-ZJOUEHCJSA-N 457.579 2.100 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(S(=O)(=O)CC)CC1 1760327145 CKZJLZILZCYWNE-QIJZPMMNSA-N 482.647 2.387 30 10 JEEE C=CCCCn1c(CC2CC2)nnc1N1C[C@@H]2[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1760443373 SQCSMHWNDIJIPL-FGTMMUONSA-N 465.620 2.323 30 10 JEEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCS(=O)(=O)c1ccccc1)C1CC1 1760476892 JMKPKKRIQQLGLQ-QGZVFWFLSA-N 464.613 2.199 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1760518495 AVXRGZGULXSEOZ-MRXNPFEDSA-N 473.375 2.129 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCC[C@H](n2cncn2)C1 1760556905 TUOFAXXJZCAPJR-FQEVSTJZSA-N 455.588 2.211 30 10 JEEE C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CC1(S(C)(=O)=O)CCC1 1760700465 GIEVKOXNISGYAN-HZPDHXFCSA-N 479.628 2.042 30 10 JEEE Cc1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)cn1 1761782738 FGITXICUIHWYCV-KRWDZBQOSA-N 451.556 2.039 30 10 JEEE COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2C[C@H](C)O[C@H](C)C2)CCO1 1770940180 DVFGKIVSIQVYAR-XQBPLPMBSA-N 454.575 2.168 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)[C@H]2CCCN(C(=O)COC)C2)c(C(=O)OCC)c1C 1860654749 ALYJPMZIROZCIQ-AWEZNQCLSA-N 452.529 2.400 30 10 JEEE COc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2CCNC(C)=O)cc1 1862569397 LVUBWTNTJVJDIZ-OAQYLSRUSA-N 454.479 2.427 30 10 JEEE O=C(C1=C(O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccccc1[N+](=O)[O-])c1cccc(O)c1 1862595071 YRVRJRXQBAHYAX-HXUWFJFHSA-N 453.451 2.211 30 10 JEEE CN1CCN(c2ccc(-n3nnc(C#N)c3NC(=O)C3CCN(C(=O)OC(C)(C)C)CC3)cc2)CC1 1870151925 RYEPTSPNZXKVHW-UHFFFAOYSA-N 494.600 2.476 30 10 JEEE C=CCn1c(C(=O)N(CCO)Cc2ccccc2)cc2c(N(CCOC)CCOC)ncnc21 1873562892 XWMOLYCUKZBUIF-UHFFFAOYSA-N 467.570 2.351 30 10 JEEE COc1cc(/C=N/n2c(CC(C)(C)C)nnc2SCC(N)=O)ccc1OCCN1CCOCC1 1874439059 HLKVWIXDGJHTJB-MFKUBSTISA-N 490.630 2.046 30 10 JEEE 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 2223101093 YMGOCOYIDLYOCQ-FPSMNIFISA-N 453.580 2.436 30 10 JEEE CC#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 2230883177 NQXVITVVZHDSGI-LFDJNIOPSA-N 465.591 2.273 30 10 JEEE CC(C)(C)OC(=O)NC1CC(O)(CNC(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2255880112 ZTXGICRUOCLVNA-UHFFFAOYSA-N 452.382 2.195 30 10 JEEE CC(C)(C)OC(=O)N1CCCC[C@@]1(C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2256619103 VRMDIQHOTUSMDY-FQEVSTJZSA-N 452.386 2.377 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)CC1(C)C 2256629665 XQTYVABYMZLRPI-GFCCVEGCSA-N 452.386 2.233 30 10 JEEE Cn1ncc(CNC(=O)OC(C)(C)C)c1NC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2267005593 NUWJDASLMXUILY-UHFFFAOYSA-N 463.369 2.453 30 10 JEEE Cc1nc(C(=O)N[C@@H]2COCC[C@H]2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2267172003 RIDCPNLHIHSICM-ZIAGYGMSSA-N 467.397 2.163 30 10 JEEE C[C@H](CCN(C)C(=O)OC(C)(C)C)N(C)C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2267525797 JNVMKVRMUXXBOI-OAHLLOKOSA-N 450.389 2.437 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1CCCCN1C(=O)C(F)(F)F 2267527248 DOCFUWJCPWFVGD-GFCCVEGCSA-N 461.315 2.424 30 10 JEEE CO[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)c1ccoc1B1OC(C)(C)C(C)(C)O1 2267551276 KLMNDVQCCZFOPE-CVEARBPZSA-N 450.341 2.333 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CC[S@@](=O)(=NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267592501 NCKWALVMEKCOBN-YPSMLTEGSA-N 465.381 2.286 30 10 JEEE Cc1cc(C(=O)NCC2(CO)CN(C(=O)OC(C)(C)C)C2)sc1B1OC(C)(C)C(C)(C)O1 2267604074 JVHOCULPKNSGCP-UHFFFAOYSA-N 466.409 2.315 30 10 JEEE Cc1cc(CN(C)C(=O)[C@H](CO)CNC(=O)OC(C)(C)C)sc1B1OC(C)(C)C(C)(C)O1 2268723362 RQMJHMOADGYBCE-HNNXBMFYSA-N 468.425 2.447 30 10 JEEE Cn1ncc(C(=O)NC[C@H](CNC(=O)OC(C)(C)C)C(F)(F)F)c1B1OC(C)(C)C(C)(C)O1 2281830249 JVMQYSFUUPMXDT-GFCCVEGCSA-N 476.305 2.152 30 10 JEEE CC(C)(C)OC(=O)N[C@@]12CCC[C@]1(F)CN(C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C2 2281926256 LMHBMMXGFRKSRB-FCHUYYIVSA-N 464.347 2.320 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C1 2281960950 GUPMOGHMBARMGU-DOTOQJQBSA-N 460.384 2.284 30 10 JEEE CCc1nn(C)c(C(=O)N2C[C@H]3C[C@@]3(NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2281986562 UNWODMKRAMVWBX-QKFKETGDSA-N 460.384 2.021 30 10 JEEE CC(C)(C)OC(=O)N1[C@H](CNC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)C[C@@H]2COC[C@@H]21 2282029657 VLXDQGFYLDZBNF-YCPHGPKFSA-N 479.408 2.197 30 10 JEEE Cn1cc(C(=O)NC[C@H]2CC(C)(C)CN2C(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2282032954 MNSBXFDULQMKQT-OAHLLOKOSA-N 462.400 2.485 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NCCN(C[C@@H](C)O)C(=O)OC(C)(C)C 2282121676 DLVBJZFCJKXPOF-MRXNPFEDSA-N 465.400 2.155 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CCO1 2282125940 DJCNYCVHAWZPGZ-KRWDZBQOSA-N 463.384 2.173 30 10 JEEE C[C@H]1CC[C@@H](CNC(=O)C(F)(F)F)N(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cn2C)C1 2282190927 KKNSHYXNGIDXTQ-ZFWWWQNUSA-N 457.302 2.244 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@@H](NC(=O)c2cc(F)ccc2B2OC(C)(C)C(C)(C)O2)C1 2282400856 JGBXLLDIAWSYPP-INIZCTEOSA-N 464.343 2.491 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2ccc(F)c(B3OC(C)(C)C(C)(C)O3)c2)C1 2282475916 VFUJYNMILUMXSE-CRAIPNDOSA-N 464.343 2.083 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](CNC(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)CO1 2282523931 FJUXYOXJHBDYCF-HZPDHXFCSA-N 461.368 2.040 30 10 JEEE CC(C)(C)OC(=O)NCCC1(O)CCN(C(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)CC1 2282534371 FLYMDUCOOSSSQM-UHFFFAOYSA-N 464.368 2.461 30 10 JEEE CC[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2282553813 UQWKAZZLQMFQAD-HZPDHXFCSA-N 462.400 2.485 30 10 JEEE Cn1cc(C(=O)N2C[C@@H]3CC[C@H](C2)C3NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2282589811 SOASHPLUFSOJHP-FKEKPDDDSA-N 460.384 2.095 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H]2CN(C(=O)c3ncc(B4OC(C)(C)C(C)(C)O4)cn3)C[C@H]2C1 2282621243 PSXSBSOKPWMGQC-JKSUJKDBSA-N 458.368 2.105 30 10 JEEE Cc1nc(S(=O)(=O)N2CCC(OCc3ccccc3)CC2)c(B2OC(C)(C)C(C)(C)O2)n1C 2282840694 OZPQMBLCYPFSPL-UHFFFAOYSA-N 475.420 2.398 30 10 JEEE COC[C@@]1(C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)CCN(C(=O)OC(C)(C)C)C1 2283957185 WMICWDHQLZJBMU-JOCHJYFZSA-N 481.424 2.332 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)OCC12CC2 2284132565 HFILRZYIZYNNSD-HNNXBMFYSA-N 479.408 2.227 30 10 JEEE C[C@H]1CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)CC2(CN(C(=O)OC(C)(C)C)C2)O1 2288575848 OXMFNQCUCBKTFP-HNNXBMFYSA-N 462.352 2.429 30 10 JEEE COC[C@H]1C[C@H](CNC(=O)OC(C)(C)C)N(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2289506185 JDRIFHGXWQFGTH-DOTOQJQBSA-N 463.384 2.316 30 10 JEEE Cn1ncc(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 2359266946 FYGOGWOPQCQLOM-DIECFANBSA-N 460.384 2.141 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N=[S@](C)(=O)CCCCNC(=O)OC(C)(C)C 2362357014 LAMXPRZAASZEFI-MGBGTMOVSA-N 484.428 2.262 30 10 JEEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@@H](CCO)COCc3ccccc3)c(F)c2)OC1(C)C 2369622161 UAEDNRLAFVMJBT-IBGZPJMESA-N 479.379 2.371 30 10 JEEE CC(C)(C)OC(=O)N1CC(C(=O)N2CCC(=CB3OC(C)(C)C(C)(C)O3)CC2)(S(C)(=O)=O)C1 2379797601 RXYDBEMHIOIPJM-UHFFFAOYSA-N 484.424 2.201 30 10 JEEE CCOc1ccc(NC(=O)CSc2nnc(N/N=C/c3ccccc3[N+](=O)[O-])n2N)cc1 59884632 MWTBUCFSYYARQJ-SRZZPIQSSA-N 456.488 2.476 30 10 JEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(-c3ccccc3)o2)c(=O)n1C[C@@H]1CCCO1 603990166 PBCGXUWIUAFXQK-IBGZPJMESA-N 461.543 2.154 30 10 JEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OCC2CC2)c(=O)n1CCc1cccnc1 609038567 ICIHURASTRCNLR-UHFFFAOYSA-N 486.597 2.142 30 10 JEEE COc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(Cc3ccccc3)c2=O)c(Cl)c1 619539276 WNOLVVWAJZDJES-UHFFFAOYSA-N 465.962 2.402 30 10 JEEE N#CC(C(=O)NCc1ccco1)=c1sc(=Cc2cnn3ccccc23)c(=O)n1Cc1ccccc1 729668513 KZBNXGLXLLLNAM-UHFFFAOYSA-N 481.537 2.018 30 10 JEEE C=CCSC1=NC(=O)C2=c3cc(Br)ccc3=N[C@@H](/C=C\c3ccc([N+](=O)[O-])o3)N2N1 1082989765 YKLHASSZWXMROG-IJVDHGTGSA-N 488.323 2.353 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1(N(C)C)CCOCC1 1286298528 KXERJSVXMZJHCV-IBGZPJMESA-N 452.607 2.021 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2C[C@@H]2NC(=O)CC2(C)C)c1 1286310053 AVINRTSOWFYFQJ-ICSRJNTNSA-N 464.570 2.143 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@@H]1CCOC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1286394399 OHMOHJUKCSALQT-SESVDKBCSA-N 472.611 2.177 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@H](C)c1nc(C)cs1)[C@@H]1CCS(=O)(=O)C1 1286394862 XIBFROWRUOIVNT-QFBILLFUSA-N 470.624 2.459 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCN(CCc2ccccc2)C1 1286448502 WNEXWGGJSIPKFA-FGZHOGPDSA-N 455.628 2.204 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCOC2)n1C[C@@H]1CC(=O)N(CCOC)C1 1286458171 LSGVVLQDIMEZSD-WOJBJXKFSA-N 455.534 2.056 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H](c2cccs2)N(C)C)CC1 1286472813 LQRHLEGZSFPBBT-WMZHIEFXSA-N 458.632 2.050 30 10 JEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](CN2CCCC[C@H]2C)C1 1286495570 AAEMBISWPUQRQK-AABGKKOBSA-N 482.720 2.346 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CCOC)[C@H](C)C1 1286562618 LPBFMIJUPYMRGU-FXTUREPZSA-N 463.623 2.140 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 1286782166 MGHLJMIMCGAEGT-SFHVURJKSA-N 467.530 2.340 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1286792248 RXSIWIHMWRYJNF-RUZDIDTESA-N 466.586 2.308 30 10 JEEE CC(C)(C)S(=O)(=O)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@@H](C#N)C1 1287081691 BPANCVYCPKWYFL-INIZCTEOSA-N 469.514 2.489 30 10 JEEE CCNC(=O)C1(Cn2c(C3CCN(c4ncccn4)CC3)nnc2N(C)[C@H](C)CC#N)CCC1 1296262853 DLRNGLPQGPFZDB-GOSISDBHSA-N 465.606 2.497 30 10 JEEE C#CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1300349190 XEKWMIZWERSPSB-UHFFFAOYSA-N 457.966 2.371 30 10 JEEE C#CCN(c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@@H]1CCCOC1)[C@H]1CCS(=O)(=O)C1 1300489603 PZGSMVWSQFYNCH-ICSRJNTNSA-N 488.610 2.406 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1CC1(C(=O)NCC)CCC1)[C@@H]1CCS(=O)(=O)C1 1300503869 GSHKUGUZNYVGAN-HXUWFJFHSA-N 499.637 2.099 30 10 JEEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1C[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1300504698 QSXXGJVFTYBFKB-SJLPKXTDSA-N 464.975 2.174 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(Cc2ccccc2)CC1 1300579610 XQQJQCDZXXKJHW-QFIPXVFZSA-N 481.622 2.097 30 10 JEEE C#CCN(CCOC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC(=O)N1CCOCC1 1300674797 GEVWHLXSXRFRFN-UHFFFAOYSA-N 469.586 2.099 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccccc3Br)n2CCCN2CCOCC2)CC1 1300692671 LBLVFWTYQFHYPV-UHFFFAOYSA-N 473.419 2.185 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC(=O)Nc2c(C)cccc2C)CC1 1300711132 SWHHQOUHMWZULJ-REWPJTCUSA-N 466.586 2.013 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1300894911 JSDNQFDLDDFIOR-TXVWBRJLSA-N 482.647 2.387 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@@H](CF)c1ccc(Br)cc1 1301497681 ANOJQGKRIDOQRR-CVEARBPZSA-N 479.354 2.441 30 10 JEEE CC(=O)N1CCCN([C@H]2CN(c3nnc(CC(C)C)n3Cc3ccc(C#N)o3)C[C@@H]2C)CC1 1301709384 USHNWFQVOMRWHB-AVRDEDQJSA-N 453.591 2.368 30 10 JEEE C[C@@H](CN1CCCC1)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cccc(C#N)c1 1303744950 FTXNOOPIHOHTAI-ROUUACIJSA-N 459.620 2.128 30 10 JEEE N#C[C@H]1CN(c2nnc(-c3cc(F)ccc3Br)n2CC2(O)CCOCC2)CCO1 1316538143 HOTJLAOHSRWGCM-AWEZNQCLSA-N 466.311 2.117 30 10 JEEE C#CCCCCn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1358914770 GLFPRAVNUPLSTC-FQEVSTJZSA-N 455.632 2.180 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1CCc1ccc(CC)cc1)[C@H]1CCS(=O)(=O)C1 1358960550 HALRBYKGERXTNM-FQEVSTJZSA-N 450.568 2.167 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1Cc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1358965133 ONXNVLCAZHUZRR-LJQANCHMSA-N 459.572 2.448 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1CCN(C(=O)OC)CC1 1358976434 DYPMPLNFIXEASO-UHFFFAOYSA-N 487.564 2.226 30 10 JEEE C#CCN(CC#CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC1(S(C)(=O)=O)CC1 1358993343 KREGEWBJRDILAV-UHFFFAOYSA-N 489.642 2.433 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnccn3)n2C[C@H]2CCO[C@@H](C)C2)n1 1359027853 YCCXJGXANBWZBE-OALUTQOASA-N 450.547 2.033 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCC(=O)NCCC)CC1 1359040072 GVFFUKJGROHVNJ-UHFFFAOYSA-N 493.612 2.029 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@@H](C(CC)CC)N(C)C)CC1 1359043921 NVFTYEMHUFEKNW-NRFANRHFSA-N 452.607 2.067 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@](C)(O)c2cccc(Cl)c2)CC1 1359044363 DHILABUEAJPDQC-KOSHJBKYSA-N 471.989 2.309 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2nccc(C(F)(F)F)n2)CC1 1359165017 FGCXMKUSRSXWBJ-CQSZACIVSA-N 456.494 2.388 30 10 JEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)cc1OCC1CC1 1359240804 XPQSNGXHHULNDI-OAQYLSRUSA-N 475.615 2.379 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1359329116 ZAZZNPVNECTDLX-SFHVURJKSA-N 479.006 2.240 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC(OC[C@@H]2CCCCO2)CC1 1359330273 MRONLGHARUOZTB-FQEVSTJZSA-N 477.631 2.439 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2[C@@H]2C[C@H]2C(C)C)c1 1507548619 UKHYUERAQGTILG-ZYSHUDEJSA-N 458.588 2.162 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1Cc1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 1507623888 YTYQLVRAHUEHDM-KRWDZBQOSA-N 484.969 2.254 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccccc2Br)n1CCC[C@@H]1NC(=O)NC1=O 1507669262 UEKCEFNOYITVGY-KRWDZBQOSA-N 469.343 2.159 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccc3F)n2C[C@@H]2NC(=O)CC2(C)C)n1 1507716838 NLJGBYRKGGJQFU-NRFANRHFSA-N 479.560 2.482 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2CCNC(=O)c2cccs2)CC1 1507732520 OHHRHBOSWAYHRO-UHFFFAOYSA-N 480.594 2.112 30 10 JEEE C#CCSCCn1c(-c2ccccc2OC)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1507748482 PDIYTFHMWPIKAH-SFHVURJKSA-N 477.656 2.428 30 10 JEEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCC(C)CC2)CC1 1507837582 SYHDDOZYTLDEDG-GPJFCIFZSA-N 468.668 2.182 30 10 JEEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ncnc3sccc23)CC1 1507958012 YVTUORPTMSLVPB-UHFFFAOYSA-N 470.603 2.340 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCS(=O)(=O)CC=C)C1 1508117631 VEVCCDPJNDPNSY-OAHLLOKOSA-N 470.393 2.418 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1 1508139462 AALFLVBEMGNPLY-IRXDYDNUSA-N 464.592 2.273 30 10 JEEE CCCn1nc(-c2nnc(N(C)C[C@H](C)C#N)n2C[C@]2(OC)CCOC2)c2ccccc2c1=O 1514983462 FNPHRTPEWFLMEU-MZNJEOGPSA-N 465.558 2.466 30 10 JEEE CCOc1ccc(O[C@@H](C)c2nnc(N(C)[C@@H](C)CC#N)n2CC2(O)CCS(=O)(=O)CC2)cc1 1516297339 IAKBGJKYVCJWLX-ROUUACIJSA-N 491.614 2.495 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1CCN1CCN(C(C)=O)CC1 1538985283 ZMFIEYQWWCKTGQ-MRXNPFEDSA-N 459.392 2.330 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1c[nH]c2c(C)cccc12 1539016326 TWOSJWWLKFVNTK-XLIONFOSSA-N 470.599 2.101 30 10 JEEE C#CCCCCn1c(N2CC[C@@H](S(C)(=O)=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1539086477 GMDSQYVDJYDKSU-FGTMMUONSA-N 465.620 2.476 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(c2ncc(C)s2)CC1 1539126541 XPNCLMWCDPTRMZ-SFHVURJKSA-N 478.644 2.173 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CCCC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1539210911 FHIBHUWGMSCYGC-FQEVSTJZSA-N 457.600 2.003 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1cccc(C(=O)N[C@@H](C)CC)c1)[C@H]1CCS(=O)(=O)C1 1539216754 WSQSYLGNZYJKMD-RXVVDRJESA-N 494.621 2.477 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@@](C)(OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1539229950 JQCUHGIWDBGNIM-AUSIDOKSSA-N 476.574 2.438 30 10 JEEE C#CCN(CC)c1nnc(-c2ccc(Br)s2)n1CCC[C@@H]1NC(=O)NC1=O 1539351253 QMVDGISLSBUSGR-NSHDSACASA-N 451.350 2.217 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1CC1CCN(C(C)=O)CC1 1539400583 HXUGWDFPHLKQJA-UHFFFAOYSA-N 463.380 2.380 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CC(=O)NCc2ccco2)CC1 1539462362 UJITXMUMPIXKDT-UHFFFAOYSA-N 462.554 2.139 30 10 JEEE C#CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1539497269 IRPLYGWMTSWMNH-IBGZPJMESA-N 468.583 2.087 30 10 JEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H]1COc2ccccc2O1 1540035986 IZKGKFFLMSNSBM-ZWKOTPCHSA-N 462.572 2.049 30 10 JEEE C=CCCOCCn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1540036079 KIMWODFIUUOBHS-ZRBLBEILSA-N 488.677 2.391 30 10 JEEE C=CCn1c(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1540861406 PLACYGSMKNTFFW-HSZRJFAPSA-N 475.615 2.157 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(C)nc3ccccc23)nnc1N(C)[C@@H](C)CC(N)=O 1540898688 REFSNKAOBGTAEZ-INIZCTEOSA-N 456.572 2.103 30 10 JEEE C=C[C@@H]1OCC[C@H]1NC(=O)C1CCN(c2ccc(S(=O)(=O)N(CC)CC)cc2[N+](=O)[O-])CC1 1544784958 UIKOJUVRCNFSKZ-NQIIRXRSSA-N 480.587 2.301 30 10 JEEE CCc1noc([C@@H](C)N2CCN(c3nnc(-c4ccc(C#N)cc4)n3CC(C)(C)O)CC2)n1 1546562332 BYAPINFQNZVGLZ-MRXNPFEDSA-N 450.547 2.416 30 10 JEEE CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1547259152 CSAPVFLHHFIRLI-IBGZPJMESA-N 478.557 2.406 30 10 JEEE CCNC(=O)[C@@H]1CN(S(C)(=O)=O)C[C@H]1C1CCN(c2ccc(C#N)c(C(F)(F)F)c2)CC1 1548397116 SNUDXBRHNJYHHU-ZWKOTPCHSA-N 472.533 2.437 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN(C)C2CCCC2)c1 1587693126 PHMYTIJJWYAGLL-HXUWFJFHSA-N 498.653 2.111 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H](CC)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1588034541 IIBLBFLFJQIELK-FPOVZHCZSA-N 486.598 2.354 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1CC1(SC)CC1)[C@@H]1CCS(=O)(=O)C1 1588064126 BEMABZJVNZCGIU-MRXNPFEDSA-N 451.643 2.156 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1c(F)cccc1F)N(C)C 1588228574 HJGSFMCBFVDVSM-PXNSSMCTSA-N 475.565 2.224 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC(C)(C)N2CCOCC2)CC1 1588733587 WIKIRLVUCIRTGG-UHFFFAOYSA-N 479.629 2.013 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCCO[C@@H]2CCOC2)CC1 1588871559 HYLCDUFBUCKVIH-OAQYLSRUSA-N 459.978 2.461 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1588907740 FJMWTROYOXOPAQ-CMJOXMDJSA-N 475.952 2.243 30 10 JEEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2c(F)cccc2Cl)CC1 1589709007 ZTLJHUPPMGJNDO-CQSZACIVSA-N 484.985 2.219 30 10 JEEE C=CCCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(CC(=O)N(C)C)CC1 1594590879 DMYLHKMZXWGOAK-UHFFFAOYSA-N 454.575 2.283 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1)C(C)C 1595165344 FWMCOEBWFGNNLJ-FSSWDIPSSA-N 483.661 2.175 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)NCC(F)F 1595219184 RNSWISLIXQBPPF-OAHLLOKOSA-N 470.521 2.146 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1595523218 RSXZKKWJGZYSHP-QGZVFWFLSA-N 454.575 2.387 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CC)Cc1c[nH]c2ccccc12 1595799391 ZPWRZDYYGLWJMK-KRWDZBQOSA-N 491.639 2.289 30 10 JEEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(-c2ccccn2)n1CCN(C)CC(F)(F)F 1612884852 HNAUIYWBTQUFQU-MRXNPFEDSA-N 486.506 2.211 30 10 JEEE CN(C)c1cccc(Oc2nnnn2[C@@H]2CO[C@@H]3[C@H](NC(=S)Nc4cccc(C#N)c4)CO[C@@H]32)c1 1616126239 FZGRAXXUBIJEMT-XRXFAXGQSA-N 492.565 2.097 30 10 JEEE COC[C@@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1619576085 GXSRGGCIKAALQZ-SFHVURJKSA-N 476.585 2.479 30 10 JEEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCCCC2)C[C@H](C)O1 1619753552 CMMOHNSFJPQBNR-UGKGYDQZSA-N 454.575 2.455 30 10 JEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCC(c2nnc(N)o2)CC1 1628298687 DSZBPUWDAIOGJW-UHFFFAOYSA-N 450.293 2.470 30 10 JEEE C=CCn1cc(CNC(=O)[C@@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc(F)cc2)nn1 1630445355 AHMZCQIJALLUTO-NRFANRHFSA-N 455.515 2.035 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(CN2CCC(O)CC2)cc1 1649538959 ISEJYCKFEKHNNS-FNZWTVRRSA-N 467.614 2.393 30 10 JEEE C#CCN([C@@H]1CCOc2ccc(Br)cc21)S(=O)(=O)CCCN1CCOCC1 1662170589 JCISPKKAYSFHOI-GOSISDBHSA-N 457.390 2.260 30 10 JEEE C#CCCCn1c(COc2ccc(C)cc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1689938565 PLHNZSSZGGHAHA-JOCHJYFZSA-N 450.587 2.322 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1CCn1cc(Cl)cn1)[C@@H]1CCS(=O)(=O)C1 1689992626 NILWLSCJESOVFQ-GOSISDBHSA-N 476.965 2.185 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1Cc1ccc2c(c1)C(=O)NCC2 1690095637 YAFIDPWPELNBPU-UHFFFAOYSA-N 497.397 2.466 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCOC(C)C)CC1 1690152271 FCXCVQFLJGNJIK-UHFFFAOYSA-N 450.543 2.120 30 10 JEEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1690182710 DWFSXLBBLSOWAV-UGKGYDQZSA-N 466.611 2.252 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](CN2CCCC[C@H]2C)C1 1690288317 RNMPOVIVMZCDBU-NJYVYQBISA-N 480.679 2.278 30 10 JEEE C=CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1690496726 WMXMERZJUORBNG-ICSRJNTNSA-N 454.579 2.209 30 10 JEEE C=CCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1690502937 KMBUFSSMGCTJPQ-UHFFFAOYSA-N 472.553 2.230 30 10 JEEE C=CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1690625932 HEJBXSYQLJVCFZ-IBGZPJMESA-N 461.588 2.363 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC(C)(C)C(=O)NC)C1 1690700187 OQISUYNRRJCLDH-QZTJIDSGSA-N 492.621 2.140 30 10 JEEE CO[C@]1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(CC(C)C)C(=O)[C@@H]2C)CCOC1 1697225302 AGWZMXQQUHJTNN-UUOWRZLLSA-N 452.559 2.315 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccc(NC(C)=O)nc1 1705481971 PSKGHLFKYBXVDE-HNNXBMFYSA-N 452.540 2.208 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1Cc1cnccc1OC)[C@H]1CCS(=O)(=O)C1 1705567986 FCVDZEMBENCZGG-SFHVURJKSA-N 485.541 2.075 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1CCN(CC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1705571222 WXLHSZFEPAMPFM-HXUWFJFHSA-N 461.607 2.365 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC(C)(C)N2CCC[C@H](C)C2)CC1 1705635361 WUGXLSYBZDYESG-SQJMNOBHSA-N 458.651 2.196 30 10 JEEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](C(=O)N(C)c2ccccc2)C1 1705811267 BSIPHRCWRKKLAB-MSOLQXFVSA-N 460.604 2.344 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1705859819 ZJKHBIZLBKHMFX-LEDOBFOHSA-N 475.615 2.419 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H]2CCCCS2(=O)=O)C1 1705926725 JQQRQTAXQKWZJI-ROUUACIJSA-N 451.618 2.382 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Br)cc2)nnc1N1CCO[C@@]2(CCOC2)C1 1705931054 CWMBDBWRQMZMRQ-FQEVSTJZSA-N 497.415 2.304 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1705931708 YAHQWGBBZAUMAP-DENIHFKCSA-N 489.642 2.102 30 10 JEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 1722332100 CVLUSTSYHJMDGV-HXUWFJFHSA-N 461.632 2.069 30 10 JEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CC(C)(C)c1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1722359295 RPAZQZCQTPABLA-HXUWFJFHSA-N 499.637 2.127 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1CCc1csc(C(C)C)n1)[C@@H]1CCS(=O)(=O)C1 1722361017 KNWORLPVZXAKGM-QGZVFWFLSA-N 471.612 2.184 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H]1N(C)CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1722362035 RGFWMXPJYWKXJW-VQTJNVASSA-N 456.616 2.087 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)(C)c1ccc2c(c1)OCO2 1722390750 UICRIRYIAYLDDA-QGZVFWFLSA-N 471.583 2.058 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1(C(N)=O)CCCC1 1722391241 YNTLOTMJQLBLDI-UHFFFAOYSA-N 466.973 2.370 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 1722413553 ODOGVCKPQCLFMQ-MSOLQXFVSA-N 477.631 2.429 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@](O)(c1ccccc1)C(F)(F)F 1722418931 IJJFDFDSTPWAOK-JOCHJYFZSA-N 488.470 2.462 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1NC(=O)CC1(C)C 1722429698 VKPGIAQGPIUZGM-RTBURBONSA-N 488.633 2.393 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1722511128 WYOWSEQWEYENEQ-QOKNQOGYSA-N 453.634 2.484 30 10 JEEE C=CCC(C)(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1722590562 GFUOHRCTSZPARD-KRWDZBQOSA-N 499.641 2.312 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1722725987 WFQSQRJIAUOECB-UHFFFAOYSA-N 477.594 2.448 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1722731897 SBRUFQQRFDDQSU-JPYJTQIMSA-N 494.589 2.371 30 10 JEEE CC(C)CC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1723360486 BPDFSUSUUUDJQZ-CYFREDJKSA-N 467.574 2.130 30 10 JEEE COC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(N2CCCCC2=O)CC1)OC 1730466609 CXXXNWYJOGZWPI-NRFANRHFSA-N 452.559 2.459 30 10 JEEE COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2CCN(C(C)=O)CC2)C[C@@H](C)O1 1730585731 DVBKFMNBUKMECS-VGOFRKELSA-N 452.559 2.315 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1Cc1ccc(F)c(F)c1)[C@H]1CCS(=O)(=O)C1 1740615753 KOGFFJLGLLHRKQ-KRWDZBQOSA-N 479.553 2.150 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC[C@@H](C(F)F)N1CCOCC1 1740633222 AEGWNUUHHZIYNZ-IBGZPJMESA-N 458.469 2.282 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H](C)CN1CCCC1 1740652549 DTBXYXRUAALFGE-HXUWFJFHSA-N 457.582 2.387 30 10 JEEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(NC(=O)C2CCC2)c1 1740661506 CXVGERSGFFJLMN-INIZCTEOSA-N 458.588 2.135 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2c(C)sc(C)c2Br)CC1 1740694722 RQUUOPCLWRQMDR-MRXNPFEDSA-N 477.432 2.474 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2C[C@@H](C)NC(=O)OC(C)(C)C)CC1 1740696091 LWKBXHBXERRLGC-NQIIRXRSSA-N 482.585 2.459 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2C[C@@H]2CCCCS2(=O)=O)CC1 1740703911 GZOVDGVRKGWBFS-SFHVURJKSA-N 473.574 2.017 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CCC(CCC(N)=O)CC1 1740956386 RERYRMSQEFHBCY-UHFFFAOYSA-N 475.391 2.492 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N(C)C1CCC(NC(C)=O)CC1 1740990266 OGZHOADKXGLIEX-UHFFFAOYSA-N 460.604 2.133 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CC[C@](O)(c2ccc(F)cc2)C1 1740991505 XYPMDIOZEVDSDG-DENIHFKCSA-N 464.563 2.358 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCS(=O)(=O)C1 1748687373 IXESQVRWBXQNKM-ZACQAIPSSA-N 451.593 2.243 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCc1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 1748802057 KMQMJOIJCKGFFM-GOSISDBHSA-N 498.996 2.448 30 10 JEEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1CCCc1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 1748820676 GVDSJUFVUXXPHV-JOCHJYFZSA-N 496.637 2.467 30 10 JEEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1CCc1ccc(OCC(F)(F)F)nc1 1748851579 HRRUBMJERFZFIO-UHFFFAOYSA-N 460.460 2.052 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(O)cc1 1748966084 ZLJWRMFBZIZRPS-HXUWFJFHSA-N 471.558 2.426 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCOc2ccccc2Cl)CC1 1748977984 HAXQLMVOUHKUCP-HSZRJFAPSA-N 459.978 2.418 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CCCNc2ccccn2)CC1 1749016742 MTSCXFSVOUQJLZ-UHFFFAOYSA-N 458.570 2.127 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCS(=O)(=O)CC1 1749119082 NAVSYCAISAQPJW-PKOBYXMFSA-N 494.017 2.078 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)=C(C)C1 1749131750 VGHBAYHIVCZKPR-AQNXPRMDSA-N 465.620 2.139 30 10 JEEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2cccc(F)c2)C1 1749212904 AUYDJPAKVYTYJB-LPHOPBHVSA-N 467.567 2.198 30 10 JEEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1749217061 YRGBHCLOOGFLBK-UXHICEINSA-N 473.599 2.189 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1749666708 QGTHELBBQPXSMB-KDURUIRLSA-N 479.585 2.448 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1749678076 VLCLZYLHJUUFAS-NRFANRHFSA-N 465.558 2.088 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCO[C@H](c2ccco2)C1 1749679737 AEHDPGIYYAXHJW-FQEVSTJZSA-N 453.499 2.339 30 10 JEEE CSC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1750228025 FLKVTSCPGJDAAU-UHFFFAOYSA-N 483.642 2.271 30 10 JEEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(-c2cnccn2)n1CCCC(F)(F)F 1752280542 FLWNDKNMSZZGIP-AWEZNQCLSA-N 458.452 2.454 30 10 JEEE C#CCCCn1c(Cc2csc(C)n2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1760155548 AXMJCAYHWHSRGX-UHFFFAOYSA-N 455.632 2.182 30 10 JEEE C#CCN(c1nnc(-c2ccc3ccccc3n2)n1C[C@H](F)COC)[C@@H]1CCS(=O)(=O)C1 1760183982 FTNMUAUMLZUKOX-ZWKOTPCHSA-N 457.531 2.105 30 10 JEEE C#CCN(c1nnc(-c2nnc(O)c3ccccc23)n1CCOC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1760187758 FXOPGJZNGFPVIC-INIZCTEOSA-N 484.582 2.036 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1760318361 NAYBRMOSWJVEDS-QUCCMNQESA-N 461.588 2.017 30 10 JEEE C=CC[C@H](Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@H]1CCS(=O)(=O)C1)c1ccccc1 1760416332 ARQCQUMSJBNCCK-UXHICEINSA-N 457.600 2.497 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H](C)N1CCCCC1)C1CC1 1760477228 TXMRZZFURULFMS-QUCCMNQESA-N 466.652 2.030 30 10 JEEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CC1CCN(c2ccncc2)CC1 1760500252 GSVRXXAFLZLQKD-UHFFFAOYSA-N 453.591 2.465 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN(c2ncccn2)CC1 1760516922 YFHVTNXLPABKSS-FQEVSTJZSA-N 476.585 2.454 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC(=O)NC2CCCCC2)C1 1760535288 OCQPARZMHLAAAH-SFHVURJKSA-N 453.547 2.156 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCCN(c2nc(C)ns2)CC1 1760548648 MHLOUUZACIWFOV-HNNXBMFYSA-N 453.638 2.269 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3ccccc3n2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1760552972 HWYUIHXJPICQIU-IBGZPJMESA-N 482.610 2.399 30 10 JEEE CC(C)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@@H]1CCCS(=O)(=O)C1 1760934924 CDFSLWQMWYTJCV-NRFANRHFSA-N 456.616 2.420 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCc1c(F)cccc1F 1761235493 BCFGYROXKRVZTE-INIZCTEOSA-N 495.538 2.314 30 10 JEEE CCc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H](C)N1CCN(CC)CC1 1764553020 DAYGVCVTCLIVRY-IFMALSPDSA-N 467.618 2.174 30 10 JEEE CCO[C@@]1(c2nnc(N3CCN(c4cc(C#N)ccn4)CC3)n2C[C@@H](C)SC)CCOC1 1765911611 DCDVRGJTPCTXBL-VGSWGCGISA-N 457.604 2.275 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1772660350 IBQZKDUZCSCLPE-UHFFFAOYSA-N 485.614 2.001 30 10 JEEE O=C(C1=C(O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1ccc2c(c1)OCCO2)c1cccc(O)c1 1862592546 FMWYUYOJGNWBQD-HSZRJFAPSA-N 480.517 2.464 30 10 JEEE Cn1nc(-c2ccccc2F)c(C#N)c1NC(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1 1865943173 FXNFOJGFTLKGAD-UHFFFAOYSA-N 453.455 2.417 30 10 JEEE C=CCNS(=O)(=O)c1ccc2nc(NC(=O)C(=O)Cc3ccccc3[N+](=O)[O-])sc2c1 1866063022 UQLBOSUSOIBMNL-UHFFFAOYSA-N 460.493 2.419 30 10 JEEE CC[C@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc(C(=O)NCCN(CC)CC)cc1 1869934207 BHQSPZMSRMVODR-FQEVSTJZSA-N 485.610 2.214 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)OC(C)C)cn1Cc1ccc(S(N)(=O)=O)cc1 1870480104 RIAHDOUUULDAFT-UHFFFAOYSA-N 489.594 2.048 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)COc2nonc2C(=O)N2C[C@@H](C)C[C@@H](C)C2)nc1C 1872679013 VUAPQMQLJBMTKS-TXEJJXNPSA-N 463.516 2.313 30 10 JEEE CC(C)N1C[C@H](C(=O)NC2=C(c3nc4ccccc4s3)C(=O)CN2C[C@H]2CCCO2)CC1=O 1873711417 SPNVTQHMCPWRIH-HZPDHXFCSA-N 468.579 2.402 30 10 JEEE COc1ccc(N2C[C@@H](c3nnc(SCC(N)=O)n3/N=C/c3cccc([N+](=O)[O-])c3)CC2=O)cc1 1874198976 BQKPEFPKGPPGQZ-OWLNGIFZSA-N 495.521 2.175 30 10 JEEE COc1cc(N2CCN(C(=O)[C@H]3SCC(=O)N(C(C)C)[C@@H]3c3ccc(C#N)cc3)CC2)ncn1 1889660877 XVAJEADMKJOLPE-PKTZIBPZSA-N 480.594 2.099 30 10 JEEE N#Cc1ccnc(OC[C@H]2CCCN(S(=O)(=O)c3ccc(N4C(=O)CCC4=O)cc3)C2)c1 1891675215 UQSVWMQCMFOWKH-KRWDZBQOSA-N 454.508 2.086 30 10 JEEE N#CCCCC[C@H](N)C(=O)Nc1c(I)ncnc1I 2121031299 WWISYIOZKWESDC-ZETCQYMHSA-N 485.067 2.036 30 10 JEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CC(=O)N2CC=C(B3OC(C)(C)C(C)(C)O3)CC2)C1 2180989824 AYAMPCDQXRYYTO-KRWDZBQOSA-N 484.424 2.201 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N[C@H]2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)C1 2255188780 BVTJAOIATHTXGH-GBXAEXGJSA-N 451.564 2.482 30 10 JEEE Cc1c(B2OC(C)(C)C(C)(C)O2)csc1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O 2255871933 PWNXYWNVSMURAV-GJZGRUSLSA-N 452.382 2.066 30 10 JEEE CO[C@H]1C[C@@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)N(C(=O)OC(C)(C)C)C1 2267145300 CQPWXMUVERLXGQ-KBPBESRZSA-N 467.397 2.197 30 10 JEEE CC(C)(C)OC(=O)NCC=CCNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2267365986 YLKJEXNIWHWUHU-UHFFFAOYSA-N 470.372 2.484 30 10 JEEE CC1(C)OB(c2nscc2C(=O)N2C[C@@H]3OCCN(Cc4ccccc4)[C@@H]3C2)OC1(C)C 2267549036 WSYQWBSRMVJNIU-MOPGFXCFSA-N 455.389 2.168 30 10 JEEE CC(C)(C)OC(=O)N1CC(F)(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2O)C1 2267808665 BMCUFOBWBXIAKW-UHFFFAOYSA-N 450.316 2.380 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](CC(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C2(CC2)C1 2274037877 VRZOYZJWVMAAFD-ZDUSSCGKSA-N 464.397 2.235 30 10 JEEE CCc1nc(C(=O)N2[C@H]3CC[C@H]2CN(C(=O)C(F)(F)F)C3)c(B2OC(C)(C)C(C)(C)O2)s1 2282017228 HXXGAPQFDPEEHA-RYUDHWBXSA-N 473.326 2.382 30 10 JEEE CC(C)(C)OC(=O)NC[C@]12CN(C(=O)c3ccoc3B3OC(C)(C)C(C)(C)O3)C[C@@H]1CCO2 2282200388 ORCBUNDHWRNMCU-WNSKOXEYSA-N 462.352 2.335 30 10 JEEE CCN(CC)CCN(Cc1ccccc1)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282329042 HEAASYPPPABSTC-UHFFFAOYSA-N 476.452 2.252 30 10 JEEE Cn1cc(C(=O)Nc2nc(CCNC(=O)OC(C)(C)C)cs2)c(B2OC(C)(C)C(C)(C)O2)n1 2282575770 HZYYRRHYQJESPB-UHFFFAOYSA-N 477.396 2.495 30 10 JEEE C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1N(C)C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2282588835 IZQFTJVHDABOCI-RDJZCZTQSA-N 462.400 2.437 30 10 JEEE Cc1c(C(=O)N2C[C@@H](C)[C@@H](CNC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282599013 NIAQVKSOELPLSK-ZBFHGGJFSA-N 462.400 2.261 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)s3)C[C@H]2[C@H]1CO 2282668803 KRSFAFROVKXEEH-ARFHVFGLSA-N 478.420 2.347 30 10 JEEE Cc1ccnc(C(=O)N[C@@H](COCc2ccccc2)CC(=O)O)c1B1OC(C)(C)C(C)(C)O1 2284470282 XMHXWSABNNRJPX-GOSISDBHSA-N 454.332 2.479 30 10 JEEE Cc1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N(Cc1ccccc1)CC1(O)CNC1 2285963656 AHGBEVXARRVICT-UHFFFAOYSA-N 454.351 2.410 30 10 JEEE Cc1nc2ccccn2c1C(O)=C1C(=O)C(=O)N(CCN2CCOCC2)[C@H]1c1cccc([N+](=O)[O-])c1 2296930275 LUGIIQWZEGSSAH-QFIPXVFZSA-N 491.504 2.305 30 10 JEEE COC(=O)c1ccc([C@H]2C(C(=O)C=Cc3ccco3)=C(O)C(=O)N2CCN2CCOCC2)cc1 2314522710 UKPLYRGFPFLCIS-QFIPXVFZSA-N 466.490 2.376 30 10 JEEE CC(C)(C)OC(=O)N[C@@]1([C@H](O)C#CC2(S(C)(=O)=O)CCC2)CCN(Cc2ccccc2)C1 2319389004 UGJUFUUGJJSQTM-YKSBVNFPSA-N 462.612 2.487 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]3C[C@@H]23)n1C 2362483757 UDDZTEOYTDBYNS-ARFHVFGLSA-N 460.384 2.155 30 10 JEEE COc1cccc(/C=N/Nc2nnc(SCC(=O)Nc3cc(OC)ccc3OC)n2N)c1 20527276 KIFGPHWNMGVYTG-SSDVNMTOSA-N 457.516 2.195 30 10 JEEE COc1cc(/C=N/Nc2nnc(SCC(=O)Nc3cc(F)ccc3F)n2N)cc(OC)c1OC 20919605 IYMZQKDWSZHVMJ-PGGKNCGUSA-N 493.496 2.473 30 10 JEEE CC(=O)Nc1ccccc1NC(=O)CCSc1nnc(NN=Cc2cnn(C(C)C)c2)n1N 1084289704 AASZGUXQZYGENA-UHFFFAOYSA-N 470.563 2.295 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H](CC)Oc1ccccc1F)[C@H]1CCS(=O)(=O)C1 1286395645 SISIZJPPNCAYPD-QYZOEREBSA-N 476.574 2.405 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1ccc(OC)cc1F)[C@@H]1CCS(=O)(=O)C1 1286396934 YYZPKXKZCRPPOB-LJQANCHMSA-N 469.542 2.087 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCc2cccc(C)n2)CC1 1286473042 HBKKIGYJLIFOPM-UHFFFAOYSA-N 478.622 2.440 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC[C@H](C)N2CCCCC2)CC1 1286487209 SQIJOZLFRQCFKN-FQEVSTJZSA-N 492.628 2.156 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1286672517 NXCRGJFRMPCMST-JTSKRJEESA-N 462.620 2.268 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(c2ncc(F)cn2)CC1 1286782697 CPVAFEAKCLBHNY-UHFFFAOYSA-N 474.903 2.296 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1Cc1cc(C)nn1C 1292115195 DZOJKVHVSZMLPD-UHFFFAOYSA-N 475.601 2.485 30 10 JEEE CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(c2cnn(C)c2)CC1 1297715107 ASDMSBPBEBPDHR-UHFFFAOYSA-N 483.598 2.281 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCN(CC)CCC)[C@@H]1CCS(=O)(=O)C1 1300482887 IJBGRVNOGNWOBA-OAQYLSRUSA-N 454.600 2.175 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@H](OC)c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1300486971 CNJRMIIWEGLNQH-FPOVZHCZSA-N 471.558 2.437 30 10 JEEE C#CCN(c1nnc(CC2CCCC2)n1CC(=O)Nc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1300501223 IAESGOIJAALJBM-FQEVSTJZSA-N 473.574 2.415 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2noc3c2COCC3)n1CC(=O)NCCC 1300647594 GIFRENWLPGUVKI-UHFFFAOYSA-N 452.490 2.311 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(OCC)cc3)n2Cc2nncn2CC)CC1 1300682865 KHEQWJFXPSYQFZ-LJQANCHMSA-N 464.574 2.232 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCc2ccc(OC)cc2OC)CC1 1300708439 SEGOHZLCHHOZQM-UHFFFAOYSA-N 494.621 2.285 30 10 JEEE COCC(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(N(C)C)CCCC2)CC1 1300910999 FJMARGCIECLRAO-UHFFFAOYSA-N 495.628 2.335 30 10 JEEE C=C(C)Cn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1300956537 AFEBIDIZSYFCCH-OYRHEFFESA-N 451.619 2.467 30 10 JEEE C=C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2cnn(CCOC)c2)CC1 1301072596 NVWSQIVFPRQWHI-UHFFFAOYSA-N 456.572 2.396 30 10 JEEE C=CCCOCCn1c([C@@H]2CCCCO2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1301251441 DPMVTNDRGRGSLI-NRFANRHFSA-N 488.633 2.053 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC(CO)CC1 1301588250 DSHWQKXPTBPEFR-IBGZPJMESA-N 497.662 2.202 30 10 JEEE Cc1ncc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCS(=O)(=O)CC2)s1 1304690687 GNVPJZUUQBGQMS-UHFFFAOYSA-N 472.596 2.158 30 10 JEEE CCN(CC)C(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2ccnn2)CC1 1313653421 AIYWUYDVEQUGPG-UHFFFAOYSA-N 462.562 2.082 30 10 JEEE CCO[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1314268297 HFQQZJCLZLWFMS-WOJBJXKFSA-N 458.588 2.246 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CC[C@@H](C(F)F)N1CCOCC1 1358896382 BYNHFWKCEPXUTL-CVEARBPZSA-N 466.558 2.084 30 10 JEEE C#CCN(c1nnc(-c2cc(F)ccc2Br)n1CC1(O)CCC1)[C@H]1CCS(=O)(=O)C1 1358957884 CBUINUSHOBQRKL-HNNXBMFYSA-N 497.390 2.388 30 10 JEEE C#CCN(c1nnc(CC)n1C[C@@H]1CC2(CC2)CN1C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1358963790 OEKQBCRCVJZDKU-MSOLQXFVSA-N 477.631 2.257 30 10 JEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1(SC)CCOCC1 1358978472 NUJOUSXWWCBUOZ-UHFFFAOYSA-N 465.627 2.437 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(C)nc3ccccc23)n1CCN1CCN(C(C)=O)CC1 1358986928 LTBJGIICOGAJGV-UHFFFAOYSA-N 469.593 2.429 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2nnc(C(C)(C)C)s2)CC1 1359030406 VQXVPPVBXQUUOP-HSZRJFAPSA-N 473.647 2.271 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(C)COCCO1 1359071157 GDAZKDVDGAVFID-GLYQVZKVSA-N 475.590 2.384 30 10 JEEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)NCc2ccc(F)cc2)CC1 1359117233 OJSVJAYTVGZKCG-MRXNPFEDSA-N 478.594 2.136 30 10 JEEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1359122423 RPXIFLMVZGSGHZ-QZTJIDSGSA-N 475.594 2.203 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1sccc1C 1359272481 UAOSMTJEUHIINR-KRWDZBQOSA-N 451.618 2.402 30 10 JEEE C=CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H]1CCOC[C@@H]1OC 1359281264 UEMZLVQKQXZFDM-LPHOPBHVSA-N 454.531 2.284 30 10 JEEE C=CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(CCOCC)[C@H](CC)C1 1359286328 JHXMOXQQUQRPQV-GOSISDBHSA-N 461.636 2.361 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(c2ccccc2OCC)CC1 1359302660 PHCLIHBTCFKPGJ-UHFFFAOYSA-N 461.570 2.291 30 10 JEEE Cc1cc(C)cc(CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@@H](C)C#N)c1 1361016670 DYILMKIQHQSXQP-AZUAARDMSA-N 460.604 2.066 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)N3CCO[C@]4(CCN(C(=O)OC(C)(C)C)C4)C3)cc2C1=O 1472466851 ONNWRPXISJMZQP-XMMPIXPASA-N 455.511 2.321 30 10 JEEE CCN(C)C(=O)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC[C@@](C)(C#N)C1 1501428651 AKMSIGGMJXTZQF-SANMLTNESA-N 478.645 2.251 30 10 JEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CC1(S(C)(=O)=O)CCC1)[C@@H]1CCS(=O)(=O)C1 1507627364 SIQCSENHJKJPIZ-GOSISDBHSA-N 497.042 2.193 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1c(C)nn(Cc2ccccc2)c1C 1507659938 IXWURCNAPRNANZ-HXUWFJFHSA-N 493.637 2.261 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CCNC(=O)C(C)(C)C)CC1 1507742688 NXVHUBMQTCHKHO-UHFFFAOYSA-N 468.577 2.136 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)NCC)CC1 1507810452 ZNSQQLJSLYXZOY-PKOBYXMFSA-N 461.611 2.029 30 10 JEEE C=C(C)COCCn1c(N2CCN(c3nc(C)cc(C)n3)CC2)nnc1[C@]1(OCC)CCOC1 1507849510 YAJRLMOQWXFINS-DEOSSOPVSA-N 471.606 2.256 30 10 JEEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(O)CCN(C(C)C)CC1 1507982044 QPTUMSCDFGKVIQ-IBGZPJMESA-N 478.638 2.444 30 10 JEEE C=CCS(=O)(=O)CCn1c(CSc2ccccc2OC)nnc1N1CCO[C@@H](C)C1 1508148439 HIEKNLFRADKASD-INIZCTEOSA-N 452.602 2.405 30 10 JEEE CCOCc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@H]1CCOC[C@@H]1OC 1516600414 AYMJFOYLAQPBNR-YADHBBJMSA-N 454.575 2.060 30 10 JEEE C#CCCCCn1c([C@H](CC)c2ccccc2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1539053786 ZYCBDULDFRMEQY-HSZRJFAPSA-N 492.624 2.131 30 10 JEEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1539155578 XKBLYVMJACBDBZ-SFHVURJKSA-N 480.594 2.086 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CCNC(=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1539211632 JNFJQPIZHHCXED-HXUWFJFHSA-N 471.627 2.297 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H](C)c1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1539221922 SOEPRSFYEZDQAF-LZQZEXGQSA-N 461.588 2.207 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccnc3)n2C[C@H]2CCCN(C(C)=O)C2)n1 1539423709 DGCOCRPDVUBPQJ-NRFANRHFSA-N 476.585 2.081 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(OC(F)F)c(OCC)c2)CC1 1539445976 MIWBSZYUWISUBE-QGZVFWFLSA-N 474.512 2.033 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCCOc2ccccc2C)CC1 1539467610 XIAZBXFBWVPDPI-UHFFFAOYSA-N 466.586 2.160 30 10 JEEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1539499072 CNGDWCORBZETSY-IBGZPJMESA-N 472.640 2.291 30 10 JEEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCOC2(CCCCC2)C1 1539579116 HMKLNAUPODOQKQ-AWEZNQCLSA-N 462.414 2.336 30 10 JEEE C=C(Br)Cn1c([C@H]2CCCCO2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1539597562 YXUUSABFSYURPA-HUUCEWRRSA-N 467.368 2.195 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2c(F)cccc2F)nnc1N(C)CCNS(C)(=O)=O 1539635180 GDNKAJRUZZIDQX-QRWLVFNGSA-N 469.558 2.114 30 10 JEEE C=CCN(c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CC[C@H](CO)O1)C1CC1 1540107879 DXZKGZDIUWYEMU-IPMKNSEASA-N 463.579 2.281 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)N1CCCCC1 1540170760 PZXJCXSBXUQEHA-IBGZPJMESA-N 466.652 2.054 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1540863058 OJOXWEACDRBNSM-PWIZWCRZSA-N 459.522 2.244 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)CCc1cnccn1 1540869413 LSUCHDSZHAALMM-UHFFFAOYSA-N 487.568 2.007 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N1CCN2CCCC[C@@H]2C1 1540898811 VPBIDNWGBSUAND-QGZVFWFLSA-N 497.463 2.321 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(Br)cc1 1540901420 CVQZBEHPDVIDKW-INIZCTEOSA-N 482.404 2.229 30 10 JEEE COc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@H]2CCCN2CCCO)cc1OC 1554849530 ATFVGQGSBBHCGP-WZONZLPQSA-N 458.538 2.251 30 10 JEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CCNC(C)=O)Cc1ccc(C)s1 1587856262 INJCEUDDRNAOEW-GOSISDBHSA-N 463.629 2.106 30 10 JEEE C#CCN(c1nnc([C@@H](CC)c2ccccc2)n1CCc1ccn(C)n1)[C@H]1CCS(=O)(=O)C1 1588035505 UKXJSPXFJBSTBT-VXKWHMMOSA-N 466.611 2.423 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@H](C(C)C)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1588049548 ICJWCIFAOHZYIN-RBBKRZOGSA-N 470.643 2.396 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(F)ccc2Br)n1CCCn1cnnn1 1588189414 ITDKZBIUKQUZPX-UHFFFAOYSA-N 457.311 2.386 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccc3F)n2C[C@]2(O)CCO[C@H]2C)n1 1588723353 LOERRXKLIJOACI-MHECFPHRSA-N 468.533 2.107 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CC2(S(C)(=O)=O)CC2)CC1 1588741448 CJTOCTKJXHHDBO-KRWDZBQOSA-N 478.018 2.404 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)cc1C 1589216712 VWXSCLIHLUBYNL-NZQKXSOJSA-N 457.600 2.268 30 10 JEEE C=C(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1593620969 KAXJIBMBPWKMND-ZWKOTPCHSA-N 479.585 2.136 30 10 JEEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1594003812 IEZXCUDYQUCNTI-RXVVDRJESA-N 481.041 2.326 30 10 JEEE C=C1CCN(c2nnc([C@H](C)OCCOC)n2C[C@H]2CCC[C@@H]2N2CCCS2(=O)=O)CC1 1594015222 YWBIWULMEIYNMX-ZCNNSNEGSA-N 467.636 2.363 30 10 JEEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(c2nccc(OC)n2)CC1 1595314302 NIXFUWXCGDYMOI-UHFFFAOYSA-N 468.949 2.173 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H](C)CC[C@H]1C 1595497043 OISKRNYCMYYLRK-DLBZAZTESA-N 460.604 2.122 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCN(c2ccc(F)cn2)CC1 1595595066 RQCZBBMNJZFPDC-UHFFFAOYSA-N 469.496 2.159 30 10 JEEE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3ccc(Cl)cc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1595978277 UQIMSLPLHLNXTL-JEBJBBSMSA-N 497.987 2.430 30 10 JEEE CC[C@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@@H]1CCOC[C@H]1OC 1613314240 HAOOBRJPXQXUIG-XKGZKEIXSA-N 456.595 2.083 30 10 JEEE CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1617317790 ICCWKECSYAGVPR-UHFFFAOYSA-N 457.535 2.045 30 10 JEEE CS(=O)(=O)c1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCC[C@@H]2CCCCO2)c1 1620150225 HVKZBBQOXVCEEI-OALUTQOASA-N 459.572 2.427 30 10 JEEE COC(=O)c1cc(OC)ccc1S(=O)(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 1621737489 HHOKXEOJFWYNNX-UHFFFAOYSA-N 457.508 2.393 30 10 JEEE C#Cc1cncc(C(=O)N2CC[C@H]3[C@@H](C2)NC(=O)N3C2CCN(C(=O)OC(C)(C)C)CC2)c1 1629912113 IZDJCCZOFNGLLL-UXHICEINSA-N 453.543 2.071 30 10 JEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@@H](CCC(C)(C)C)C(N)=O)nnc12 1638634833 WMMJWVKZCBHAQV-HNNXBMFYSA-N 456.572 2.119 30 10 JEEE C=CCn1c(S)nc2cc(C(=O)NC[C@H]3CCCN(C(=O)C(F)(F)F)C3)ccc2c1=O 1640239206 ITGZHTWLYMIVFE-GFCCVEGCSA-N 454.474 2.402 30 10 JEEE Cc1c(C#N)c(=O)n(CC(=O)Nc2ccccc2C(=O)NCc2ccccc2)c(=O)n1C1CC1 1653013569 DHPGEXBGJVKGBY-UHFFFAOYSA-N 457.490 2.094 30 10 JEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCc3nc[nH]c3[C@H]2c2ccnn2C)cc1 1673397795 AETOCFMZYIUZKD-HXUWFJFHSA-N 455.544 2.129 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCCn2ccnc21 1689835734 ROVPEYHWSKFIQB-PKOBYXMFSA-N 467.599 2.427 30 10 JEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H](C)N1CCC[C@H](C)C1 1689951087 LLVRGEUEOBJLHZ-RBUKOAKNSA-N 458.632 2.385 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H](C)COCc1ccccc1)[C@H]1CCS(=O)(=O)C1 1689988389 OBUCLDILICHPOY-CTNGQTDRSA-N 480.594 2.215 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1Cc1cccc(C(F)F)c1)[C@H]1CCS(=O)(=O)C1 1689988655 TUFNVEACTIGSIO-KRWDZBQOSA-N 458.494 2.348 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1690235847 FMRNFPVRLFADNT-ROUUACIJSA-N 462.595 2.455 30 10 JEEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CN(CC(C)C)CCO1 1690522931 PTRWEBHQEPDGDM-GOSISDBHSA-N 461.636 2.217 30 10 JEEE C=CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1690631115 NMSMVBDSKQJZJA-UHFFFAOYSA-N 480.497 2.373 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC[C@@H](Oc3ncccc3F)C2)nnc1[C@]1(OC(C)C)CCOC1 1690676748 CCODAWGSCHHPLM-KOSHJBKYSA-N 488.564 2.203 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(N2CCSCC2)CCCC1 1692662593 IBENPZORDLJSJM-ROUUACIJSA-N 466.677 2.280 30 10 JEEE CCN(CC)C(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1695587049 CPYNFVORYUJJRG-IBGZPJMESA-N 451.531 2.106 30 10 JEEE CCN(CC)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2snnc2C)CC1 1695596413 FLEMRLGSSWCXSM-UHFFFAOYSA-N 479.614 2.015 30 10 JEEE CCN1CCN(C[C@@H](C)Cn2c(C(C)C)nnc2N2CCN(c3ccc(C#N)cn3)CC2)CC1 1695893532 FDSGXNZDYHAVCI-OAQYLSRUSA-N 465.650 2.268 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccncc2Cl)c1 1705506899 LRHFNZSVVXJCMN-GOSISDBHSA-N 498.996 2.333 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCc1nc(C(F)(F)F)cs1)[C@@H]1CCS(=O)(=O)C1 1705571963 MOXGTESNEIRLDJ-ZIAGYGMSSA-N 489.545 2.474 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCN1CCCS1(=O)=O 1705576267 IOMVZPCVGDFWQV-UHFFFAOYSA-N 452.367 2.360 30 10 JEEE C#CCN1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@@H]2CCOC2)CC1 1705638985 CYDIWGKDOCJDNI-IBGZPJMESA-N 458.607 2.184 30 10 JEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2CCN(CC(F)(F)F)CC2)CC1 1705642097 GXPQZNBHTCEEOV-UHFFFAOYSA-N 478.567 2.169 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3OCC)n2Cc2ccc(C)n(C)c2=O)CC1 1705642787 HEFRYYBKHXKVBG-UHFFFAOYSA-N 476.581 2.066 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H](OC)C2CC2)CC1 1705644578 VUCWCYDTGASXNQ-OAQYLSRUSA-N 499.015 2.252 30 10 JEEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C[C@H](c1cccs1)N1CCOCC1 1705747878 XAJJRPROZURBFT-HZPDHXFCSA-N 489.067 2.212 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1C[C@H](C)O[C@H](COC)C1 1705896457 NJHYDFGBZHYHQI-STQMWFEESA-N 470.393 2.311 30 10 JEEE CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(C2CCCC2)CC1 1710897729 HIRVKJSPMDVGIF-UHFFFAOYSA-N 471.631 2.211 30 10 JEEE COCC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1712317846 CGCBPUVPBYKGOZ-QPPBQGQZSA-N 465.558 2.015 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCOC[C@H]1CCOC1 1722294450 RIFRSWTUZZIYIA-QZTJIDSGSA-N 450.543 2.093 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H](C)c1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1722365516 MKZPDIMHVOTBOX-OXQOHEQNSA-N 468.583 2.299 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1Cc1cccnc1OCC)[C@@H]1CCS(=O)(=O)C1 1722366883 SORHBYWMCWQDPM-OAQYLSRUSA-N 483.569 2.477 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(Br)cc3)n2CC2(C)COC2)CC1 1722441799 MOXNJLUVEUUDKO-UHFFFAOYSA-N 460.376 2.411 30 10 JEEE C=C(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C(C)C)C1)c1ccccc1 1722539932 DROZMCCJHNDDLB-RTWAWAEBSA-N 475.615 2.186 30 10 JEEE C=CCCOCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(CC(=O)NC)CC1 1722624534 FBZYUZVFEHHRTN-UHFFFAOYSA-N 479.585 2.137 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCC(F)(F)F 1722698920 PEZLYLHJIXYXOQ-CQSZACIVSA-N 476.500 2.277 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCNC(=O)[C@@H]2CC)nnc1C1(c2ccccc2)CCC1 1722731030 BHNKEZNAQDBXQF-IBGZPJMESA-N 457.600 2.064 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1722733194 UCTXNJJUHPWOKW-QYZOEREBSA-N 476.647 2.420 30 10 JEEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 1722739769 HZFBUMVFBFNUBL-SFHVURJKSA-N 458.588 2.449 30 10 JEEE C=CCSCCn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1722741035 YSPPHRDRLCXESZ-QZTJIDSGSA-N 455.650 2.443 30 10 JEEE CC(=O)N1CC[C@H](CN(C)c2nnc(COc3ccc(C#N)cc3)n2CC2CCOCC2)C1 1722758405 AMHWMMFLWDPGEE-OAQYLSRUSA-N 452.559 2.460 30 10 JEEE CC(=O)NCCN(Cc1ccsc1)c1nnc(-c2ccc(C#N)cc2)n1Cc1nncn1C 1722860447 FIOGQEFTJLJJDU-UHFFFAOYSA-N 461.555 2.198 30 10 JEEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCCS2(=O)=O)C[C@H](C(F)(F)F)O1 1726670058 CCPOJEOBQRHKJE-RHSMWYFYSA-N 484.504 2.008 30 10 JEEE CN(CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1)CC(F)(F)F 1729530340 FITADBQDPQTRJK-GOSISDBHSA-N 476.507 2.351 30 10 JEEE COC1(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](c3cccc(C#N)c3)C2)CCC1 1729936164 DXECUZMHWNWMJS-PXNSSMCTSA-N 488.614 2.297 30 10 JEEE COc1cc(Cl)ccc1-c1nnc(N2CC[C@@](F)(C#N)C2)n1CCN1CCN(C(C)=O)CC1 1729995325 HTOVOENOSTZWII-JOCHJYFZSA-N 475.956 2.213 30 10 JEEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(N2CCC(CO)CC2)cc1 1740558695 VAELOWDWAUOYTB-IBGZPJMESA-N 450.587 2.115 30 10 JEEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1740596530 HSVAWNQPJRANBX-FGTMMUONSA-N 461.563 2.124 30 10 JEEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC1CCN(CCN(C)C)CC1 1740609639 QTQVMJCEGQAIPR-UHFFFAOYSA-N 490.656 2.408 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CCOc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1740616441 BBTMIRZZKYCPHA-YKSBVNFPSA-N 488.610 2.024 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1ccc(OC)c(OC)c1OC)[C@H]1CCS(=O)(=O)C1 1740620911 HTKOEBWZBBTBBZ-SFHVURJKSA-N 497.577 2.041 30 10 JEEE C#CCN(c1nnc(C2CCCC2)n1C[C@H]1CCN(CC(F)(F)F)C1)[C@H]1CCS(=O)(=O)C1 1740622696 GYZKGQAEELITJR-WMZOPIPTSA-N 473.565 2.447 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@]1(O)CCO[C@H]1C 1740668890 DBOFCBGDJPQNLN-XDHUDOTRSA-N 450.543 2.235 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2CCN(C)C2CCCC2)CC1 1740700330 OPJPITVSTREMBR-UHFFFAOYSA-N 452.603 2.495 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCCN2CC)CC1 1740703644 ZRGIUIURISEXSN-OAQYLSRUSA-N 465.558 2.303 30 10 JEEE C=CCCOCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCc2c(ccnc2O)C1 1740883877 IWWNCWKGUPHRDV-UHFFFAOYSA-N 498.609 2.451 30 10 JEEE C=CCn1c(COc2ccccc2OC)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1740948802 HMVWYZZBTQMYGC-UHFFFAOYSA-N 454.575 2.186 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 1740957394 MIOMGDTXPBINHU-MRXNPFEDSA-N 470.603 2.313 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCCN(C(=O)c2ccsc2)CC1 1740958817 VNEOWUSDBSNGGW-GOSISDBHSA-N 458.588 2.236 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1740964042 FUERCKOQEJGVGH-IBGZPJMESA-N 471.949 2.124 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC2CCN(C(C)=O)CC2)C1 1740973319 VJBDIZXSWMSCMY-URXFXBBRSA-N 461.607 2.359 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cc4c(s3)CC[C@H](C)C4)n2CCS(=O)(=O)NC)C1 1740974600 OGKKHOSKNKHSPP-DOTOQJQBSA-N 465.645 2.462 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC[C@](C)(C#N)C1 1740990750 YWMIIXGCFJGOLX-XMMPIXPASA-N 495.609 2.406 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(Cl)cc2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1740993982 LIDRYMIHXDQDQM-VGSWGCGISA-N 497.017 2.496 30 10 JEEE C#CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCC[C@H](C(=O)NC)C1 1748748296 WKVRUTJMFXWJCX-SFHVURJKSA-N 461.570 2.441 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H](C)Oc1ccccc1F)[C@H]1CCS(=O)(=O)C1 1748819966 VSTFODKMBDZDED-QUCCMNQESA-N 483.569 2.497 30 10 JEEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H](c1ccccc1)N1CCOCC1 1748830519 XXGBCNBDZWCEQL-IGKIAQTJSA-N 477.609 2.465 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(C)C)n1CC1(O)CCN(C(C)C)CC1 1748939982 AWUULAHWUVADIQ-UHFFFAOYSA-N 470.593 2.431 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1Cc1c(CC)nn(C)c1OC 1748945726 YKWUPERNHQQNHV-FQEVSTJZSA-N 465.533 2.361 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2cnn(-c3ccccc3)c2)CC1 1748971196 HBWZZQORBWBXIG-UHFFFAOYSA-N 460.586 2.186 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CC2(O)CCOCC2)CC1 1748977549 IMVQQZDCKRROCC-SFHVURJKSA-N 459.978 2.368 30 10 JEEE C=CCN(C)c1nnc([C@H]2COc3ccccc3O2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1749493455 FXCHCEXVJKMCBX-GHTZIAJQSA-N 454.575 2.356 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(c2ccnc(C)n2)CC1 1749652579 PJUZNKCGJYPJRP-KRWDZBQOSA-N 480.548 2.284 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2CCOC[C@@H]2OC)C1 1749696799 FGNCTXUAURUXCF-SRYPRDQNSA-N 450.580 2.152 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC(C(=O)NC)CC1 1749724396 IPJBHDMUHOJLPJ-MRXNPFEDSA-N 479.578 2.120 30 10 JEEE C[C@H](C#N)CN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H]1CCS(=O)(=O)C1 1750075842 IDWQBMVGLFJLHY-SJORKVTESA-N 480.635 2.423 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@H]1CCCN(C(C)C)C1)[C@H]1CCS(=O)(=O)C1 1760189762 LQDKZUVJHWRFAG-UNMCSNQZSA-N 470.643 2.011 30 10 JEEE C#CCN(c1nnc(CC2CCCC2)n1CCS(=O)(=O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1760191524 IXHUXQBYQCFSFT-FQEVSTJZSA-N 490.651 2.111 30 10 JEEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1760282061 VNZXTIZGFMQEMW-OAQYLSRUSA-N 474.675 2.063 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2F)CC1 1760316229 ONBFOTTWNNNWNQ-LQWHRVPQSA-N 492.621 2.335 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 1760373774 BRJDMOVRBBCWKN-MRXNPFEDSA-N 484.409 2.435 30 10 JEEE C=C(Cl)Cn1c([C@H]2CCCOC2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1760375147 GHNWJJZNYGVHLH-MSOLQXFVSA-N 451.015 2.494 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1760514954 PICSTNNBCSSUDQ-MOPGFXCFSA-N 452.559 2.312 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(C(C)C)CC1 1760517223 GWLQLCOMMITLPU-UHFFFAOYSA-N 474.631 2.370 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Br)nnc1N1CCNC(=O)[C@@H]1CC 1760553761 ZFUXHULASRNIIK-INIZCTEOSA-N 482.404 2.023 30 10 JEEE CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1764580518 CSYBMLRMZXUWSE-UUOWRZLLSA-N 468.558 2.029 30 10 JEEE CNC(=O)CC1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(S(C)(=O)=O)CCC2)CC1 1767733411 HDOADRSIKHUYLP-UHFFFAOYSA-N 470.599 2.137 30 10 JEEE CO[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC=C(c2ccc(C#N)cc2)CC1)C1CC1 1768076903 BYIAFHLMAVWJPT-HRAATJIYSA-N 470.599 2.479 30 10 JEEE CCOc1cc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCN2CCOCC2)ccc1O 1862595594 HVCRIYBFUYRLJZ-JOCHJYFZSA-N 468.506 2.407 30 10 JEEE COC(=O)c1ccc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2CCN2CCOCC2)cc1 1862745899 UVGQCBJENSVQSM-OAQYLSRUSA-N 495.488 2.292 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)Nc2cc(OC)ccc2OC)cn1CCO 1870737997 QEZSOTGKSYPVRG-UHFFFAOYSA-N 457.527 2.049 30 10 JEEE CCOc1cc(/C=N/n2c(CNC(C)=O)nnc2SCC(=O)NC2CCCCC2)ccc1O 1874434299 YNEUOFOUUHBMCP-WYMPLXKRSA-N 474.587 2.442 30 10 JEEE CS(=O)(=O)c1ccc2nc(N3CC(C(=O)N4CC[C@H](Oc5cc(C#N)ccn5)C4)C3)sc2c1 1890981065 OUFNREFLOAZMIE-INIZCTEOSA-N 483.575 2.083 30 10 JEEE CN(CC(=O)N1CC[C@@H](Oc2cc(C#N)ccn2)C1)c1nc2c(S(C)(=O)=O)cccc2s1 1891511394 JCFRTRVVUIUZQL-OAHLLOKOSA-N 471.564 2.083 30 10 JEEE CN[C@](C#N)(CC1CC1)Cn1cnc(I)c1I 2026498071 SVMVUUFPJFBWDB-NSHDSACASA-N 456.069 2.374 30 10 JEEE CC(C)(C)OC(=O)N1CC(C[C@H](F)C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2124518872 CWSDCASNBPZLEG-HNNXBMFYSA-N 450.320 2.309 30 10 JEEE COC[C@H](ONC(=O)OC(C)(C)C)C(=O)NCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2124541486 TWHIVHKTVVGBMW-KRWDZBQOSA-N 450.341 2.073 30 10 JEEE CN(CCN(C)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2255803876 VRMIGIATZHCPMY-UHFFFAOYSA-N 475.442 2.071 30 10 JEEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)C[C@H](O)CNC(=O)OC(C)(C)C 2256615152 RTFFCOYPRZBSBA-AWEZNQCLSA-N 454.398 2.281 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)s2)O1 2256627767 CESNRMMMYUCGLB-QWHCGFSZSA-N 453.370 2.453 30 10 JEEE C[C@H]1[C@@H](NC(=O)C(F)(F)F)[C@H](C)CCN1C(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2267164170 OFUJQLSERDEIMT-MDZLAQPJSA-N 461.315 2.360 30 10 JEEE CO[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)c1ccoc1B1OC(C)(C)C(C)(C)O1 2267551277 KLMNDVQCCZFOPE-HOTGVXAUSA-N 450.341 2.333 30 10 JEEE CC1(C)OB(c2ccc(C(=O)N[C@@H]3CCOC[C@H]3NC(=O)OCc3ccccc3)nc2)OC1(C)C 2267594967 GFHBAFNQPIBUCF-TZIWHRDSSA-N 481.358 2.195 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1CNS(=O)(=O)Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2267709255 YLORIXGUZZGBMG-SJLPKXTDSA-N 466.409 2.318 30 10 JEEE Cc1nn(C)c(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2C)c1B1OC(C)(C)C(C)(C)O1 2281977317 NOJHXGIZIHNWAQ-HOCLYGCPSA-N 462.400 2.403 30 10 JEEE Cc1nn(C)c(C(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2281988520 NUSQGLSWAMSQSB-OAGGEKHMSA-N 460.384 2.155 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]1C 2282006776 YDHJTHKOHHBLTB-LSDHHAIUSA-N 462.400 2.498 30 10 JEEE CCn1cc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]3C[C@H]23)nc1B1OC(C)(C)C(C)(C)O1 2282052119 LKWPAVQNIGTIEP-BFYDXBDKSA-N 460.384 2.330 30 10 JEEE C[C@H]1CN(S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)[C@@H](C)CN1Cc1ccccc1 2282351183 XNPLIILJTICXKY-ROUUACIJSA-N 474.436 2.003 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@H](CNC(=O)c2cccc(F)c2B2OC(C)(C)C(C)(C)O2)C1 2282397782 RPQPUXZSJKCIBR-OAHLLOKOSA-N 464.343 2.491 30 10 JEEE C[C@H]1CCCN(C(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)[C@H]1CNC(=O)OC(C)(C)C 2282551538 KBTKHKOIQSXZCV-RDJZCZTQSA-N 462.400 2.485 30 10 JEEE Cc1ccnc(C(=O)N2C[C@H](C)C[C@@H](NC(=O)C(F)(F)F)C2)c1B1OC(C)(C)C(C)(C)O1 2282569920 YSAPNKPQAYBYOK-TZMCWYRMSA-N 455.286 2.218 30 10 JEEE Cn1ncc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC(C)(C)C2)c1B1OC(C)(C)C(C)(C)O1 2282573300 YIDJWDZKKQZVMU-OAHLLOKOSA-N 462.400 2.485 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(C)[C@@H](CNC(=O)OC(C)(C)C)C1CC1 2282581101 CJCYHHIOSCHYLR-INIZCTEOSA-N 462.400 2.403 30 10 JEEE CN(CCCNC(=O)OC(C)(C)C)CCCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2282610667 ZXJZPXLBTYTHOP-UHFFFAOYSA-N 482.456 2.409 30 10 JEEE COC(=O)C1(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(C)s2)CN(C(=O)OC(C)(C)C)C1 2282619041 PWOZCEPSIZIOIF-UHFFFAOYSA-N 480.392 2.248 30 10 JEEE C[C@@H]1CN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C[C@@H](C)C1NC(=O)OC(C)(C)C 2282676436 KWYURDLGIORRLE-HUUCEWRRSA-N 460.384 2.397 30 10 JEEE CC(C)(C)OC(=O)NCc1nnc(NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)o1 2282865481 UYFYRPAWDBIISE-UHFFFAOYSA-N 480.352 2.194 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CC(=O)N(Oc2ccc([N+](=O)[O-])c(B3OC(C)(C)C(C)(C)O3)c2)C1 2283009112 CEWHHOCHOVAZBJ-CYBMUJFWSA-N 463.296 2.313 30 10 JEEE Cn1ncc(C(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)c1CNC(=O)OC(C)(C)C 2283950065 HCORYQLBAKZANY-UHFFFAOYSA-N 457.340 2.391 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@H](C(=O)N[C@H]3CCC=C3B3OC(C)(C)C(C)(C)O3)O[C@H]2C1 2284120040 TXQBKPVWELXIOM-XLAORIBOSA-N 464.368 2.226 30 10 JEEE CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)C(=C(C)NCCc3nc(C)no3)C(=O)[C@@]12C 2297591310 OLLYFGPMSYKNJG-QHCPKHFHSA-N 453.451 2.092 30 10 JEEE CC1(C)OB(c2sncc2C(=O)N[C@@H]2CCOC[C@@H]2NC(=O)OCc2ccccc2)OC1(C)C 2315684418 NDYOJVZGHGFJDT-MSOLQXFVSA-N 487.387 2.256 30 10 JEEE COC1(CCN=c2cc(B3OC(C)(C)C(C)(C)O3)c(F)c[nH]2)CN(C(=O)OC(C)(C)C)C1 2345744079 XFWAVLLVVRPIBK-UHFFFAOYSA-N 451.348 2.380 30 10 JEEE Cn1cc(C(=O)NC[C@@H]2C[C@@H]3CC[C@H]2N3C(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2359277871 BDPGDUKHPZLMLH-YQQAZPJKSA-N 460.384 2.237 30 10 JEEE CC(C)(C)OC(=O)N[C@]1(C)CN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CC1(F)F 2361914857 AMEOWQGPWNBEOO-HXUWFJFHSA-N 468.310 2.150 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@]12CC[C@@H]1CN(Cc1ccccc1)C2 2362347830 KJJAUTLQEGLNAA-CLOONOSVSA-N 450.392 2.361 30 10 JEEE COc1[nH]c(=NC[C@H]2CN(C)CCN2Cc2ccccc2)ccc1B1OC(C)(C)C(C)(C)O1 2365344907 UXPONLUMCSVSKZ-FQEVSTJZSA-N 452.408 2.039 30 10 JEEE COc1ccc(CCNC(=O)CSc2n[nH]c(N/N=C/c3cnn(C(C)C)c3)n2)cc1OC 20910530 OFUQRKQSAFDIEX-AUEPDCJTSA-N 472.575 2.496 30 10 JEEE CC(=O)Nc1ccccc1NC(=O)CCSc1nnc(N/N=C/c2cccc(O)c2)n1N 20915536 YABMBNTUKGUTRD-WSDLNYQXSA-N 454.516 2.223 30 10 JEEE COc1cc(/C=N/Nc2nnc(SCC(=O)Nc3ccc(F)c(F)c3)n2N)cc(OC)c1OC 20919598 KJZHXKUJJQJBKD-PGGKNCGUSA-N 493.496 2.473 30 10 JEEE C=CCNC(=O)CN1CCN(CC(=O)N2N=C(c3cccs3)C[C@H]2c2cccs2)CC1 23265985 YWTFNFUFOOVFDJ-SFHVURJKSA-N 457.625 2.407 30 10 JEEE COc1ccc(NS(=O)(=O)c2ccc(/C(C)=N\NC(=S)NCCN3CCOCC3)cc2)cc1 34846425 HZEGHTKPQQRVOG-ULJHMMPZSA-N 491.639 2.016 30 10 JEEE COc1ccc(C(=O)/N=C(\NCCN2CCOCC2)Nc2ccc3c(c2)OCCO3)cc1OC 46135030 QUJWJAIIKQNBGQ-UHFFFAOYSA-N 470.526 2.005 30 10 JEEE CCOc1ccccc1NC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1C1CC1 729669907 VWKBIDVHDUPUAY-UHFFFAOYSA-N 471.542 2.433 30 10 JEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)[C@@H]2CC(=O)N(c3cc(F)cc(F)c3)C2)c1 749502482 NRAMAQBUZZWYEY-GOSISDBHSA-N 467.472 2.191 30 10 JEEE CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)CSc2n[nH]c(NN=Cc3cccnc3)n2)cc1 1084291069 PWNLCCDUJHPAGD-UHFFFAOYSA-N 488.599 2.453 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)NCCc2ccc(C(=O)OC)cc2OC)ccc1F 1129232194 NRMCCUWZVQHPLF-UHFFFAOYSA-N 450.488 2.058 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CCN(c3ccccc3Cl)C2=O)s1 1146855623 XYLLGGHCYFIRJM-OAHLLOKOSA-N 453.973 2.330 30 10 JEEE C#CCn1ccc(CN(CCOC)CC(=O)Nc2ccccc2I)n1 1169916978 DKPUZTUMHPBXAG-UHFFFAOYSA-N 452.296 2.208 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(O)CCN(C(C)C)CC1 1286297283 VNIDQUAKWYYHIE-PMACEKPBSA-N 490.649 2.280 30 10 JEEE C#CCCCCn1c([C@H]2CCCOC2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1286324696 PAVFPVGSDPRJTB-SFHVURJKSA-N 478.644 2.251 30 10 JEEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1286337519 KSFYJEVCWYVVAH-UHFFFAOYSA-N 469.409 2.309 30 10 JEEE C#CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)CC(=O)N1CCOCC1 1286350028 SPSBDKMOVOKQIO-UHFFFAOYSA-N 474.606 2.101 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1Cc1cccc(NC(=O)[C@@H]2CCCO2)c1)[C@H]1CCS(=O)(=O)C1 1286391349 CQKQJNVTGZDXQA-VXKWHMMOSA-N 499.637 2.269 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCc2ccccc2OC)CC1 1286485872 BETYBZWVYUPYBR-UHFFFAOYSA-N 487.564 2.143 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CSc3ccc(Cl)cc3)n2Cc2ncn(C)n2)CC1 1286494175 JZTLFBPUFZCEBQ-UHFFFAOYSA-N 485.017 2.366 30 10 JEEE C=C(C)COCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(CC)[C@@H](C)C1 1286606018 DLQADLUBKZXYAZ-SFHVURJKSA-N 461.636 2.361 30 10 JEEE C=C(Cl)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCO[C@@H](COC)C1 1286631286 GULCZDHMNRXLBW-OAQYLSRUSA-N 461.010 2.247 30 10 JEEE C=CCNC(=O)Cn1c(N2CC[C@@](O)(c3ccc(C)cc3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1286792768 HGHBXXYDOHGGSM-LOSJGSFVSA-N 469.586 2.027 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H]1c1cnn(C)c1 1286816020 DTVXHKPMINJVMX-FQEVSTJZSA-N 451.556 2.493 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1286818679 MHHKETPPMNIYJA-UHFFFAOYSA-N 467.477 2.176 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1286967167 CIALATGWNVEFSQ-BZUAXINKSA-N 454.597 2.031 30 10 JEEE CC(C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1288192663 ALYUWKPLBNVOLZ-UHFFFAOYSA-N 451.575 2.426 30 10 JEEE CCc1nc(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C(C)C)CC2)no1 1292717211 CFHIORYDDVQMQC-UHFFFAOYSA-N 450.547 2.447 30 10 JEEE CCC[C@](C)(O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(c2ccccc2C#N)CC1 1293816018 BBOUANFLCDMZHF-CYFREDJKSA-N 451.575 2.369 30 10 JEEE CCN(CC)C(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)CN2CCOCC2)CC1 1295347281 GVUGZNQKVQWHAR-OAQYLSRUSA-N 494.644 2.369 30 10 JEEE CCn1cnnc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1295959106 CHGNXNUAEYAACR-UHFFFAOYSA-N 487.490 2.371 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCc1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1300499684 WAFDIYRBIBUPCN-FQEVSTJZSA-N 471.558 2.482 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C1CC1)N(C)Cc1ccccc1 1300537200 AZXIAJRFGTWAIA-DHIUTWEWSA-N 465.623 2.164 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccccc1)N1CCCC1 1300578045 GCKFAXWLUMIVJA-XZOQPEGZSA-N 465.623 2.480 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(Cc2csc(C)n2)n1CCCN(CC)S(C)(=O)=O 1300807264 JCBJSAGRBKOPTP-HXUWFJFHSA-N 450.634 2.298 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CCN(Cc2nc(COC)no2)CC1 1300890353 UVXUMROLOKCMLL-AVRDEDQJSA-N 459.595 2.309 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1300988595 HCYBNVQFVBBSGY-FGZHOGPDSA-N 474.650 2.288 30 10 JEEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1ccco1 1301258096 LBWIMMOCROTVJP-IEBWSBKVSA-N 465.576 2.138 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CC[C@]2(CNC(=O)C2)C1)C(C)C 1301367221 LQOOFNPAVRVYBF-YKSBVNFPSA-N 452.607 2.094 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCCN(CC)C(=O)C1 1301576540 DGBLERKJKANWBM-UHFFFAOYSA-N 469.970 2.397 30 10 JEEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 1301595290 RVOUYYHJSJDHJL-UHFFFAOYSA-N 492.671 2.237 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCc3c(F)ccc(F)c3C2)nnc1[C@@]1(OCC)CCOC1 1301596089 HOUVKSIRHSRCPX-JOCHJYFZSA-N 482.553 2.372 30 10 JEEE CC(=O)NC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@](C)(O)c2cccs2)CCO1 1301910648 FENBSLGPAJVPRS-RDPSFJRHSA-N 496.593 2.039 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2cccn2C)n1C[C@H]1CCCN1S(C)(=O)=O 1316085752 GJSMTTZRQZYAAH-OAQYLSRUSA-N 497.625 2.232 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2CCC(=O)N[C@@H](C)CC)c1 1358903949 OXKHPDWKPCBFLH-FXAWDEMLSA-N 452.559 2.491 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CC1CCC(OC)CC1)[C@H]1CCS(=O)(=O)C1 1358957331 SQUSAJFJKHHRQE-VSFLDCQPSA-N 494.658 2.151 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC[C@@](C)(O)c2ccccc2)CC1 1359040447 VHAXLOZNZQOOSL-UWDQQESISA-N 453.587 2.055 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CC(=O)N(C)CC)CC1 1359042879 XJYASNKJYQJTPM-UHFFFAOYSA-N 496.612 2.185 30 10 JEEE C#CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(C(=O)OCC)CC1 1359055079 RYMYPCSVDNNKGI-UHFFFAOYSA-N 495.609 2.320 30 10 JEEE C=C(C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1359117546 FVZPPHDSNRCWGO-MRXNPFEDSA-N 456.522 2.061 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)O[C@H](C2CC2)C1 1359189671 RBCSUGMAQNZQLW-WDSOQIARSA-N 467.636 2.217 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC(NC(=O)Nc2ccc(F)cc2)CC1 1359302498 JJIFHXJENSLVCW-UHFFFAOYSA-N 492.559 2.496 30 10 JEEE CC(=O)NC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@@H]2CCCCO2)CCO1 1359452163 HJIBYJPAWGOIAI-RBBKRZOGSA-N 468.558 2.029 30 10 JEEE CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1cc2c(cc1OC(F)F)OCO2 1360206613 BURGJBIBZLESIV-FQEVSTJZSA-N 466.420 2.237 30 10 JEEE C#CCN1CCN(C(=O)c2occc2CS(=O)(=O)c2ccc(Br)cc2)CC1 1470908540 NOKZJPOWWPVBQO-UHFFFAOYSA-N 451.342 2.407 30 10 JEEE CCc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3nccnc3C#N)C[C@@H]2C)s1 1498007861 BRNJLWWSWPXUOM-INIZCTEOSA-N 479.614 2.465 30 10 JEEE CN(Cc1cscn1)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1503512099 BYFRUUJCNHWNJG-GOSISDBHSA-N 487.611 2.246 30 10 JEEE N#C[C@]1(F)CCN(c2nnc(CNC(=O)c3cccs3)n2CC(=O)Nc2ccc(F)cc2)C1 1505317402 GJIVDPLEUOXTSM-OAQYLSRUSA-N 471.493 2.489 30 10 JEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 1507557346 PWJBXBBGBJCGFL-ROUUACIJSA-N 466.652 2.071 30 10 JEEE C#CCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC(S(C)(=O)=O)CC1 1507593425 ORWDDGZAQNDNII-UHFFFAOYSA-N 484.670 2.070 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1cccc(NC(=O)[C@H]2CCCO2)c1)[C@@H]1CCS(=O)(=O)C1 1507623723 WFBLBPOGSYIZKL-NHCUHLMSSA-N 499.637 2.368 30 10 JEEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1Cc1nc(C(C)C)cs1)[C@H]1CCS(=O)(=O)C1 1507624760 DDRVXDRKSOUCKC-HTAPYJJXSA-N 493.655 2.185 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1Cc1cc(C(C)(C)C)no1)[C@H]1CCS(=O)(=O)C1 1507629258 LSMMZFZBUWYWRG-INIZCTEOSA-N 456.572 2.244 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1CCCOC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1507629774 PXZOTPIXHKGYHF-IBGZPJMESA-N 488.610 2.166 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1CCCN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1507634840 NQAJEALLOPQTHL-JOCHJYFZSA-N 485.654 2.380 30 10 JEEE C#CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1OCCC1(C)C 1507704116 PLCJOXXIFAEZCY-GOSISDBHSA-N 474.631 2.448 30 10 JEEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC[S@](=O)C(C)(C)C 1507711317 UAJBROUFXMMOSI-XIFFEERXSA-N 473.647 2.085 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCn2cncn2)CC1 1507736668 RRHAAGQNLBROJY-KRWDZBQOSA-N 482.976 2.329 30 10 JEEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCN(C)Cc2ccccc2)CC1 1507832315 YJKUQRMQXCBMDF-QFIPXVFZSA-N 472.659 2.010 30 10 JEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCCN(C(=O)Cc2cccc(F)c2)CC1 1507847137 GRZZYEGPBDDWKM-UHFFFAOYSA-N 498.603 2.414 30 10 JEEE C=C(C)COCCn1c(N2CCN3CCOC[C@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1507847966 FOUJOIGCACSPDQ-HSALFYBXSA-N 476.622 2.162 30 10 JEEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(c2nccc(OCC)n2)CC1 1508048692 VTWZDYPTQNJRHT-UHFFFAOYSA-N 469.571 2.050 30 10 JEEE C=CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1508149553 BDTGNGGCJIBFBP-UHFFFAOYSA-N 494.463 2.356 30 10 JEEE CC(=O)N1CCC(Cn2c(-c3cccc(C#N)c3)nnc2N(CCO)CCOCC(F)(F)F)CC1 1508197832 QROGDMIYVUYOBL-UHFFFAOYSA-N 494.518 2.453 30 10 JEEE CN(CCS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CSCCS1 1517352667 HNMAKXRJRUPRIZ-KRWDZBQOSA-N 467.642 2.058 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCn1cc(Br)cn1 1538976332 KORJTLXSIPRYAR-HNAYVOBHSA-N 451.369 2.436 30 10 JEEE C#CCCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1539079582 WEQNVTBFJYSCBH-UHFFFAOYSA-N 480.613 2.451 30 10 JEEE C#CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCC(NC(=O)COC)CC1 1539116381 NQHZFRIUNBOLJS-UHFFFAOYSA-N 491.596 2.381 30 10 JEEE C#CCN(c1nnc(CCOc2ccccc2)n1CC(=C)Br)[C@@H]1CCS(=O)(=O)C1 1539229584 FBKVWDLJWBHKCR-QGZVFWFLSA-N 479.400 2.435 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1Cc1ccc(F)cn1)[C@H]1CCS(=O)(=O)C1 1539229771 IBTKIHVOQFUGOO-FQEVSTJZSA-N 469.542 2.375 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(COCC(F)(F)F)c2)CC1 1539428955 YQHNUDLTOKQKDP-UHFFFAOYSA-N 490.530 2.397 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@](C)(O)c2cccs2)CC1 1539434225 DJOOLMBHNWOFQK-HSZRJFAPSA-N 485.635 2.073 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H](OC)[C@@H](C)CC)CC1 1539451967 HHTBLNJAZZOOIP-ACRUOGEOSA-N 490.649 2.403 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC2([S@](C)=O)CC2)CC1 1539466988 LAXAUMVSSDOLMZ-DHUJRADRSA-N 496.637 2.024 30 10 JEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@H]1CCCN(c2ccccc2)C1 1539497696 OEYJABHYCDDQAR-QUCCMNQESA-N 476.672 2.360 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CC[C@@](C)(C(=O)NC)C2)nnc1[C@]1(OC(C)C)CCOC1 1539642525 QTBWCMUCAYECKJ-LZFFWASXSA-N 461.607 2.262 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1539931064 GINAIBRMRFGFOF-KEWLPNKHSA-N 474.606 2.419 30 10 JEEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1c(C)nn(Cc2ccccc2)c1C 1540047252 FVVYRTOUPROIEF-KRWDZBQOSA-N 457.604 2.420 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CC(F)(F)C2(OC)CCOCC2)C1 1540881962 YDEPRIIWYOFRJV-MRXNPFEDSA-N 457.522 2.029 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@@]2(CCOC2)C1 1540897779 SAINHFQBLKHWFC-VGSWGCGISA-N 480.562 2.154 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 1540903651 DUWPCXOCIHFEEI-UHFFFAOYSA-N 468.539 2.336 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(C2CCC(C)CC2)CC1 1540903876 JIKHFCSLROOTDN-IOJLRTSASA-N 451.637 2.084 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CC1CC(F)(F)C1 1541942575 GOUJVGLSUQYQGT-AWEZNQCLSA-N 497.547 2.271 30 10 JEEE CCO[C@]1(c2nnc(N3CCN(c4ccc(C#N)cc4F)CC3)n2CCCC(=O)N(C)C)CCOC1 1547913892 AIEZRGODFCYEIG-RUZDIDTESA-N 499.591 2.136 30 10 JEEE N#Cc1ccc(N2CCC3(CC2)C[C@@H](C(N)=O)N(C(=O)c2cncnc2)C3)cc1C(F)(F)F 1548379545 DJDCFHFMVIVPBO-SFHVURJKSA-N 458.444 2.354 30 10 JEEE C#CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1587712064 LKKCKUVHCPHSQX-UHFFFAOYSA-N 474.363 2.360 30 10 JEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1CCCO[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1588059386 NARDVUGJTDLLIX-RTWAWAEBSA-N 493.029 2.345 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@](C)(O)c1cccs1)[C@H]1CCS(=O)(=O)C1 1588060121 ZYFJDMIBVVYOBQ-KKSFZXQISA-N 450.630 2.463 30 10 JEEE C#CCN(CCOC)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cn2ccc(C)cc2n1 1588581633 YXHBPFVPPSBYJH-XMMPIXPASA-N 452.559 2.409 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCC(=O)N3)n2Cc2sccc2C)n1 1588723888 QQUDWEYQTRCJJJ-GOSISDBHSA-N 453.572 2.130 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cn(C)c4ccccc34)n2C[C@](C)(O)CCOC)CC1 1588913383 JESGGTRTPDGYQL-AREMUKBSSA-N 478.597 2.190 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2C[C@@H]2CCN(CC(F)(F)F)C2)CC1 1588923970 SCRQLWICDCXIBK-MRXNPFEDSA-N 452.525 2.396 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(N(C)C)CCC2)CC1 1588961826 NJVGZDFCOCKVFK-UHFFFAOYSA-N 475.597 2.179 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)OC)CC1 1588961878 PRVGLLMDUBDTNE-UHFFFAOYSA-N 450.543 2.120 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCN(C)C(=O)OC(C)(C)C 1589150780 LASLPGVNTVYULW-IIBYNOLFSA-N 468.624 2.137 30 10 JEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccnc(OC3CCOCC3)c2)CC1 1594192813 MHOSZBQTSIHNHZ-QGZVFWFLSA-N 490.630 2.292 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2csc(CC)n2)CC1 1594241354 NMKUURMORVKMCC-KRWDZBQOSA-N 466.633 2.081 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCOC3(CCC3)C2)cc1 1595607625 JFTNLKQUQBANKE-QGZVFWFLSA-N 461.588 2.261 30 10 JEEE Cc1cc(=O)c(C(=O)N(C)CCCc2[nH]nc(N)c2C#N)nn1-c1ccccc1C(F)(F)F 1596375428 GFFZGUPTRAFFJJ-UHFFFAOYSA-N 459.432 2.442 30 10 JEEE COc1cc(OC)c2c(c1Cl)O[C@]1(C(=O)/C(=C/NCc3nc(C)no3)C(=O)C[C@@H]1C)C2=O 1615248236 CVSFOBMRIQXYSW-OMGHMDAMSA-N 461.858 2.214 30 10 JEEE CO[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2CCS(=O)(=O)CC2)C1 1619502842 DUARGLZXONFKBE-HXUWFJFHSA-N 459.572 2.169 30 10 JEEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H]2CCN(c3cc(OC)cc(OC)c3)C2=O)c1 1630768476 PZJKQIGVIXNUQR-NRFANRHFSA-N 456.520 2.036 30 10 JEEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 1638451643 BSTGQAFWYLQCKG-INIZCTEOSA-N 453.442 2.344 30 10 JEEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)c2cccc(OCc3ccccc3)c2)CC1 1686360484 IVSUCSYFCSADLN-IBGZPJMESA-N 456.568 2.121 30 10 JEEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1cccc(NC(=O)[C@H]2CCCO2)c1 1689861646 YKJNQFRMPNRZMI-FXAWDEMLSA-N 450.543 2.024 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCOc1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 1689996197 DYBNZKMVHRTZEM-OAQYLSRUSA-N 482.610 2.154 30 10 JEEE C#CCN(c1nnc(COCC)n1Cc1ccc(NC(=O)c2ccco2)cc1)[C@@H]1CCS(=O)(=O)C1 1689997162 WYGMTYHEGZQLAP-HXUWFJFHSA-N 497.577 2.335 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](C)N1CCc2ccccc2C1 1689998206 FOZWKUXIJAGHRU-HXUWFJFHSA-N 453.550 2.445 30 10 JEEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2F)n1CCNS(=O)(=O)Cc1ccon1 1690066434 GPUZDJADPQZZPI-UHFFFAOYSA-N 466.926 2.305 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2C[C@H](C)O[C@H](C)C2)CC1 1690136256 CHSWCIHXTLWIIA-REPLKXPHSA-N 479.585 2.095 30 10 JEEE C#CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC[C@@H](C(=O)NC)C1 1690171017 URBBXBHDOZLBKB-QGZVFWFLSA-N 479.610 2.004 30 10 JEEE C#CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC[C@@H](CC(N)=O)C1 1690171265 YMSKOIUAOAPEBE-KRWDZBQOSA-N 479.610 2.133 30 10 JEEE C=CCCOCCn1c(-c2ccc3ccccc3n2)nnc1N(C)CC(=O)N1CCOCC1 1690503660 JXLNCNXIDPMADV-UHFFFAOYSA-N 450.543 2.381 30 10 JEEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)CNC(=O)OC(C)(C)C)C1CC1 1690545683 WPYBYTNJBJCBOV-HZPDHXFCSA-N 453.609 2.496 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 1690658990 GJRLMWLIZBPVSI-PZJWPPBQSA-N 465.602 2.021 30 10 JEEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1690660377 GICPRGKGLPXHSU-DHIUTWEWSA-N 465.646 2.338 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(c2ncccn2)CC1 1690660825 OYNPQCROPHMHBD-KRWDZBQOSA-N 482.976 2.490 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCc1ccc(OC(F)(F)F)cc1 1692779122 BOXIURNNQBZMEJ-UGSOOPFHSA-N 490.483 2.472 30 10 JEEE N#Cc1ccc(OCc2nnc(N3CCC[C@H](CC(N)=O)C3)n2CCCN2CCCCC2=O)cc1 1698488597 GLUQQKSOQHJIBK-HXUWFJFHSA-N 479.585 2.223 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1Cc1ccccc1CN1CCOCC1)[C@H]1CCS(=O)(=O)C1 1705560944 OMZOWPMSJOOJGU-OFNKIYASSA-N 485.654 2.299 30 10 JEEE C#CCN(c1nnc(C(C)C)n1Cc1ccccc1-c1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 1705561801 WNCJLBZWCFMMAM-FQEVSTJZSA-N 452.584 2.477 30 10 JEEE C#CCN(c1nnc(Cn2ccc3ccccc32)n1CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1705568766 UWWWXQZTJMMPLW-MRXNPFEDSA-N 451.474 2.470 30 10 JEEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@](C)(O)c1ccccc1 1705628622 LTOXPAFPXFXKNK-AREMUKBSSA-N 475.597 2.446 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](CC)c2ccccc2)CC1 1705648308 QPAQRVVXJABCPB-KNQAVFIVSA-N 483.638 2.340 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H](OCC)C(C)C 1705674463 JOLKBFKWYCAXLM-XQBPLPMBSA-N 467.636 2.054 30 10 JEEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 1705806320 BFJPFRDYWJHTDS-FQEVSTJZSA-N 472.615 2.487 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1 1705931072 DSZLBRFXELYWCU-LJQANCHMSA-N 482.404 2.010 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCC(CC(=O)N(C)C)CC1 1705932329 BGLBFPWNTFQDSX-UHFFFAOYSA-N 475.615 2.249 30 10 JEEE CC[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1)OC 1708807594 BEDYIKLEFYLSJL-QFIPXVFZSA-N 465.602 2.409 30 10 JEEE COc1cc(OC)cc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC2(C(=O)N(C)C)CCCC2)c1 1711702892 AJJDERRRXOQWFR-HXUWFJFHSA-N 468.558 2.340 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccccc1CN1CCC[C@H]1CO 1722282417 YSYHHMIRPPWGFM-AMZDPNTKSA-N 467.614 2.393 30 10 JEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2ccccc2OC)CC1 1722317584 UFRZBZIUPTWYHS-NRFANRHFSA-N 471.627 2.315 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1cccnc1OCC)[C@H]1CCS(=O)(=O)C1 1722364740 AFTWMNAVOVIIIW-IBGZPJMESA-N 466.567 2.117 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1C[C@@H]1CC(=O)N(c2ccccc2)C1)[C@H]1CCS(=O)(=O)C1 1722366005 GUUYAWNNCUFJSA-CTNGQTDRSA-N 469.611 2.156 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc[nH]2)n1C[C@@H]1C[C@@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1722377939 MBIOWODCIQGAIC-WSTZPKSXSA-N 450.543 2.370 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@H](C)N2CCN(CC)CC2)CC1 1722434360 OWLVQWHDJZRUQW-FQEVSTJZSA-N 486.064 2.388 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2C[C@@H]2CCCCS2(=O)=O)CC1 1722448687 GCIRJFLYZLWJJH-QFIPXVFZSA-N 483.638 2.110 30 10 JEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](c2ccc(F)cc2)O[C@H](C)C1 1722451865 PFCKRZZOGMPCPM-JTDSTZFVSA-N 481.619 2.360 30 10 JEEE C=C(C)COCCn1c(N2CCO[C@H](c3cnn(C)c3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1722538651 SFHOZUVRPSFYDS-NZQKXSOJSA-N 460.579 2.223 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2(CCOC)CCC2)CC1 1722580644 FLANMEAVQWXHJZ-IBGZPJMESA-N 467.636 2.220 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1[C@@H]1C[C@H]1CF 1722653995 HDYRHORYJKIRSX-DFQSSKMNSA-N 479.578 2.343 30 10 JEEE C=CCN(CC=C)c1nnc(-c2cc(Br)cn2C)n1CCN1CCCS1(=O)=O 1722664769 AAWPYNIXVGXXNL-UHFFFAOYSA-N 469.409 2.260 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)ccc2C)nnc1N1CCO[C@@]2(CCOC2)C1 1722731450 LDHULOZEICISKD-QHCPKHFHSA-N 476.599 2.070 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1722749626 HNRGYEWBQAUBSB-UHFFFAOYSA-N 499.641 2.000 30 10 JEEE CC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCCO[C@@H](C)C2)CC1 1722823666 FMIRFIRQEOSGFV-IBGZPJMESA-N 465.602 2.423 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C 1722867394 GDDQPAAOUHKTOH-IXDOHACOSA-N 468.624 2.279 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C)N1CCN(c2ccccc2)CC1 1723831874 GRYYJKUNQOZKGQ-ZVDOUQERSA-N 450.591 2.178 30 10 JEEE N#C[C@H]1CN(c2nnc(-c3ccc(Br)s3)n2C[C@@H]2CCCCS2(=O)=O)CCO1 1731188482 GSFDYNDBTUCTFO-STQMWFEESA-N 486.417 2.465 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1740533249 ALJSEYKBKQHJGW-QFQXNSOFSA-N 481.645 2.362 30 10 JEEE C#CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1ccc(C(N)=O)nc1 1740608134 LTCJNFWVAHJBSZ-KRWDZBQOSA-N 453.547 2.004 30 10 JEEE C#CCN(c1nnc(-c2cc(C)nc3ccccc23)n1CCNC(=O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1740619396 NYRRNSXCDQFVKQ-LJQANCHMSA-N 494.621 2.201 30 10 JEEE C#CCN(c1nnc(-c2cc(C)nc3ccccc23)n1C[C@H](F)COC)[C@@H]1CCS(=O)(=O)C1 1740619975 RVOZRYWAYKFZLR-ZWKOTPCHSA-N 471.558 2.413 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCN1CCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1740620065 TVWIDTFZHDLFBV-UYAOXDASSA-N 457.600 2.065 30 10 JEEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1740750087 LQAAKHPMVRWDKB-SPUZQDLCSA-N 470.412 2.068 30 10 JEEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](CN2CCOCC2)C1 1740823131 YDADAVUOWZFOMV-OALUTQOASA-N 497.040 2.498 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1740990472 ATQSIQDGFQOFEM-SFHVURJKSA-N 481.022 2.496 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]1c1ccsc1 1740992162 MMQKJGLGJHPVKS-IRXDYDNUSA-N 470.642 2.184 30 10 JEEE C=CCS(=O)(=O)CCn1c(CSc2ccc(C)cc2)nnc1N1CCC[C@@H](C(N)=O)C1 1740994542 SJQADQMPBYPKRK-QGZVFWFLSA-N 463.629 2.181 30 10 JEEE CC(=O)NC[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)C(C)(C)C)C1 1741097707 GPWPTGFPKQDWPT-HXUWFJFHSA-N 481.601 2.244 30 10 JEEE CCCn1nc(-c2nnc(N(C)C[C@@H](C)C#N)n2CCS(=O)(=O)CC)c2ccccc2c1=O 1745751556 BQNFMGYQKVFXAZ-INIZCTEOSA-N 471.587 2.096 30 10 JEEE CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCO[C@@H]2C(C)C)CC1 1746511172 CPOPXVAUZFZEBE-JTHBVZDNSA-N 465.602 2.136 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@@](C)(OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1748810695 ZTHYIJRWNLTOST-MHECFPHRSA-N 488.610 2.404 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1cccs1)N(C)C 1749159822 ZLULFFQAHRSCOW-ZWKOTPCHSA-N 482.676 2.378 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCOc2ccc(OC)cc2)CC1 1749342810 PGNLKKLRIMETAP-OAQYLSRUSA-N 491.614 2.101 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cnn(C)c1C 1749531590 NLHCBYKSPOWAQX-MRXNPFEDSA-N 468.587 2.043 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCO[C@H](C(F)(F)F)C1 1749655376 JLXMBLKCANDXPY-INIZCTEOSA-N 485.463 2.041 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC(Nc2cc(OC)cc(OC)c2)CC1 1749668760 DXOYHXINKXSHHM-QGZVFWFLSA-N 470.574 2.182 30 10 JEEE CC(C)(C)S(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@@](F)(C#N)C1 1750517804 DHSKFRABJFEMCV-OAQYLSRUSA-N 463.535 2.372 30 10 JEEE CC(C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@H](N1CCOCC1)C(F)(F)F 1750644214 DPDLHDKMCVUOMX-SFHVURJKSA-N 478.523 2.258 30 10 JEEE C[C@](O)(Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1)C1CC1 1751247368 DGIRFBIXCHMYPA-ZHRRBRCNSA-N 492.502 2.395 30 10 JEEE Cc1cccc(O[C@H](C)Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@H](C)CC#N)c1 1751436543 HMDKMTPPROFBGZ-QWFCFKBJSA-N 476.603 2.125 30 10 JEEE Cc1ccc(NC(=O)c2nnc(N3CCO[C@@H](C#N)C3)n2CCCN2CCCCC2=O)cc1C 1751544337 HMNTVZSUQNIBNQ-FQEVSTJZSA-N 465.558 2.279 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@@H](C)N(C)C1CC1)[C@@H]1CCS(=O)(=O)C1 1760188570 BXFGXBPNNSKIKM-YLJYHZDGSA-N 459.591 2.117 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1760192691 WRHPRVMEMYJJPL-JOCHJYFZSA-N 466.611 2.399 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@](C)(O)c1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 1760193350 XOAMTKKGZIHILY-DKZVUGQWSA-N 479.002 2.317 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H](c2ccccc2)N(C)C)CC1 1760269311 FBVZJEUUSOYODV-FGZHOGPDSA-N 450.587 2.051 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCOCCOC 1760290562 JMAZJLLWCRDQDE-JOCHJYFZSA-N 460.604 2.202 30 10 JEEE C=C(Br)Cn1c(-c2cnccn2)nnc1N(C)CCNS(=O)(=O)c1ccc(C)cc1 1760305433 GCPWAKCBTJTLGB-UHFFFAOYSA-N 492.403 2.367 30 10 JEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2cnc(C)s2)CC1 1760348726 JTPWNXDEEMQTPT-UHFFFAOYSA-N 459.620 2.194 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1C(F)(F)F 1760464754 OFXFLEOEQWKXSJ-INIZCTEOSA-N 459.494 2.300 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(C(=O)OC)CC1 1760518039 GQDJGLZDRBZJPC-UHFFFAOYSA-N 453.330 2.443 30 10 JEEE CCOc1ccc(O[C@@H](C)c2nnc(N3CCO[C@@H](C#N)C3)n2CC2(S(C)(=O)=O)CC2)cc1 1766032974 CFNUAFNEBHJQNH-LPHOPBHVSA-N 475.571 2.123 30 10 JEEE CCO[C@]1(c2nnc(N(C)Cc3ccc(C#N)cc3)n2C[C@H](C)N2CCN(CC)CC2)CCOC1 1767388484 FLWKNGJOBPKEPY-HFZDXXHNSA-N 481.645 2.464 30 10 JEEE CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1767796445 FGALPHXKRSDXDE-UHFFFAOYSA-N 461.526 2.125 30 10 JEEE COc1ccccc1OCc1nnc(N2CCC[C@](C)(C#N)C2)n1CCS(=O)(=O)NC(C)C 1770511528 FSJRJLJCHRVUDM-JOCHJYFZSA-N 476.603 2.324 30 10 JEEE C=CCN1C(=O)C(=c2sc3nc(=O)c(-c4ccccc4)nn3c2=O)c2cc(Br)ccc21 1772719440 WGLNCAIHWXOTDC-UHFFFAOYSA-N 493.342 2.391 30 10 JEEE N#Cc1ccccc1S(=O)(=O)N1CCN(c2ccc(NS(=O)(=O)c3ccccc3)cn2)CC1 1858454096 XSLXMZQVRYVPKS-UHFFFAOYSA-N 483.575 2.265 30 10 JEEE C=CCOC(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2cncc(Br)c2)cc1 1859012097 ZLCJHEJNUTUWJB-UHFFFAOYSA-N 468.329 2.418 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)Cn2cnc3scc(C(=O)OCC)c3c2=O)nc1C 1860826309 DBEVFAQMUAKSES-UHFFFAOYSA-N 462.509 2.381 30 10 JEEE CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCNC(C)=O)ccc1O 1862611016 ZQQLYCXYIVCUPQ-JOCHJYFZSA-N 482.489 2.277 30 10 JEEE C=CCNC1=C(c2ccc(OC(C)C)cc2)C(=O)N(Cc2ccc(S(N)(=O)=O)cc2)C1=O 1863694511 SZUVUJMGAKBTJO-UHFFFAOYSA-N 455.536 2.177 30 10 JEEE C=CCOc1ccccc1[C@@H]1C(C(=O)N2CCN(C)CC2)=C(N)Oc2c1c(C(F)(F)F)nn2C 1865226416 PUVOZTXKMKEIHJ-INIZCTEOSA-N 477.487 2.472 30 10 JEEE C#CCOc1cn(CCCn2ccnc2)c(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1=O 1870561194 CIIZETOXFMCYHG-UHFFFAOYSA-N 489.576 2.194 30 10 JEEE COCCN1CC(=O)C(c2nc(C)cs2)=C1NC(=O)[C@H](CC(C)C)N1C(=O)c2ccccc2C1=O 1873710889 XWQHJUWIWPYIHZ-SFHVURJKSA-N 496.589 2.478 30 10 JEEE COC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)(C)C)C2)n1/N=C/c1ccc([N+](=O)[O-])cc1 1874278681 YWGOAPQMZBNBCL-YVJZOELXSA-N 460.516 2.448 30 10 JEEE C=C(I)C[S@@](=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)O 1883745037 VDEXTMMECFVRMB-NPMABZOXSA-N 451.282 2.454 30 10 JEEE COc1ccc([C@@H]2[C@@H](C(=O)N3CC(COc4cccnc4C#N)C3)OCC(=O)N2C(C)C)cc1 1891421384 DHWANNDTNLGHMG-RPWUZVMVSA-N 464.522 2.176 30 10 JEEE C=CCC1(C(=O)N2CC(O)(C3CCN(C(=O)C(F)(F)F)CC3)C2)CN(C(=O)OC(C)(C)C)C1 2180831753 YRPHYUGSHHZWPN-UHFFFAOYSA-N 475.508 2.174 30 10 JEEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](C)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 2222513211 NQDOCXZIQZTXLI-SAHWJRBASA-N 453.580 2.417 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2csc(B3OC(C)(C)C(C)(C)O3)c2)[C@H](O)C1 2255705831 AJKQBEYGDABACB-LSDHHAIUSA-N 452.382 2.147 30 10 JEEE Cc1sc(C(=O)N(C)C[C@H](O)CNC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2255842775 XFCJRXYINMHPNC-CQSZACIVSA-N 454.398 2.313 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)[C@@H](O)C1 2255880124 ZWKOSQCJAXMTNP-KBPBESRZSA-N 452.382 2.005 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](F)[C@@H](C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)C1 2256640111 MZJGCBBNBIIREE-KBPBESRZSA-N 455.361 2.264 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCCCONC(=O)OC(C)(C)C 2267357624 VGJOQXLMONYGKG-UHFFFAOYSA-N 470.397 2.419 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](CNC(=O)c2occc2B2OC(C)(C)C(C)(C)O2)CO1 2267496736 CWSHJLIHCHHRAS-CABCVRRESA-N 450.341 2.238 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](CO)[C@H](NC(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2267592025 JVVPFPPPLQOTLI-GDBMZVCRSA-N 466.409 2.395 30 10 JEEE Cn1[nH]c(=NC(=O)OC(C)(C)C)cc1C(=O)NCc1sccc1B1OC(C)(C)C(C)(C)O1 2268662550 AVVLJANLPLQUJH-UHFFFAOYSA-N 462.381 2.480 30 10 JEEE C[C@H](c1nscc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)C1(NC(=O)OC(C)(C)C)COC1 2268705923 HSNNDSSUUIFADD-CYBMUJFWSA-N 467.397 2.255 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@H]1C[C@H]2C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2268709266 AHBYAPZIDZTUMC-XJFOESAGSA-N 464.397 2.137 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)sc1CNC(=O)C1(O)CC(NC(=O)OC(C)(C)C)C1 2268785044 HHVCGSGXLCCUFS-UHFFFAOYSA-N 466.409 2.390 30 10 JEEE CC1(C)OB(c2sccc2CS(=O)(=O)N[C@@H](COCc2ccccc2)C(=O)O)OC1(C)C 2269025887 GDQPRULKHDXSDO-KRWDZBQOSA-N 481.401 2.137 30 10 JEEE Cn1cc(C(=O)N2C[C@H]3C[C@@H](C2)[C@H](NC(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)n1 2281967205 WHZZYSRUFFNIBV-YQQAZPJKSA-N 460.384 2.095 30 10 JEEE Cn1cc(C(=O)NCC2CC(F)(CNC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2281970171 QFDZUAZJCSSMDJ-UHFFFAOYSA-N 466.363 2.092 30 10 JEEE COCCN(C(=O)c1c(C)nsc1B1OC(C)(C)C(C)(C)O1)C1CN(C(=O)OC(C)(C)C)C1 2281971096 UGNGNAWZRJANKH-UHFFFAOYSA-N 481.424 2.459 30 10 JEEE CCN(C(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)c2c(C)nn(C)c2B2OC(C)(C)C(C)(C)O2)C1 2282004713 LGTTXOVGOFDHOZ-MRXNPFEDSA-N 462.400 2.499 30 10 JEEE COCC[C@@H](CNC(=O)c1nccc(C)c1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2282016364 XAXRXXVPPNGFGU-INIZCTEOSA-N 463.384 2.349 30 10 JEEE C[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)N(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)C1 2282038657 LFAZVCLOZOKRHT-HZPDHXFCSA-N 462.400 2.485 30 10 JEEE CCn1cc(C(=O)N(OC)[C@H]2CCN(C(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2282051457 UHQZHWIBMTXMJX-HNNXBMFYSA-N 464.372 2.215 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H]1COCCN(C(=O)OC(C)(C)C)C1 2282111109 SYGHNTOETCYCEW-KRWDZBQOSA-N 463.384 2.173 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](NC(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CCO1 2282175215 VRSWNPHEXVUZNI-MSOLQXFVSA-N 461.368 2.183 30 10 JEEE Cc1ccnc(C(=O)N2C[C@@H](C)C[C@@H](NC(=O)C(F)(F)F)C2)c1B1OC(C)(C)C(C)(C)O1 2282569917 YSAPNKPQAYBYOK-GXTWGEPZSA-N 455.286 2.218 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 2282587726 AWEPISUMEQAVFY-INIZCTEOSA-N 462.400 2.405 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C1 2282589680 QMJNGPDJUMIISZ-GASCZTMLSA-N 462.400 2.498 30 10 JEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CCC[C@H](NC(=O)OC(C)(C)C)CC2)n1 2282656156 RHNLNWAIIKOTAP-GJZGRUSLSA-N 463.388 2.070 30 10 JEEE CC(C)(C)OC(=O)N[C@]1(C(=O)O)CCN(C(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2282662489 BJUHHZRNXBBNCO-HSZRJFAPSA-N 460.336 2.180 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H](COCc2ccccc2)CC(=O)O)n1 2284338604 PWRXWOIELDQCTI-GOSISDBHSA-N 454.332 2.479 30 10 JEEE Cc1nc(C)c(C(O)=C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc([N+](=O)[O-])cc2)s1 2296079106 CRGVOEJXYIMQQG-SFHVURJKSA-N 472.523 2.422 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC(F)(F)C[C@@H]1CNC(=O)OC(C)(C)C 2296415129 CXSUDYMXMIFAEP-CYBMUJFWSA-N 470.326 2.094 30 10 JEEE COCCCN1C(=O)C(=Cc2c(C)c(C#N)c(=O)n(C)c2N2CCSCC2)SC1=S 2314435793 OKCCYNWFWFZSRR-UHFFFAOYSA-N 464.638 2.356 30 10 JEEE CC(=O)NCc1nnc(SCC(=O)NCc2ccco2)n1N=Cc1cc(Cl)ccc1O 2330748390 ISHBEKWUUAPFER-UHFFFAOYSA-N 462.919 2.157 30 10 JEEE CO[C@@H]1[C@H](OC)CN(C(=O)OC(C)(C)C)[C@H]1C(=O)N[C@@H]1CCC=C1B1OC(C)(C)C(C)(C)O1 2359390894 YIADYLKKTLVJHN-BRSBDYLESA-N 466.384 2.472 30 10 JEEE Cc1nn(C)c(C(=O)N[C@@H]2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2366857954 NQAZQHUUTWIWLA-HRCADAONSA-N 460.384 2.155 30 10 JEEE CSc1ccc(CN(C)C(=O)CN2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 15445486 YVDBTVMPKNFQAH-UHFFFAOYSA-N 458.609 2.245 30 10 JEEE COc1cccc(/C=N/Nc2nc(SCC(=O)NCc3ccc4c(c3)OCO4)n[nH]2)c1O 59016847 DMHKDLNUSGSXMN-LSFURLLWSA-N 456.484 2.102 30 10 JEEE CN(C)S(=O)(=O)N1CCC(c2nn(Cc3ccccc3C#N)c(=O)n2-c2cccs2)CC1 108402279 ANXIILSOAFCUBV-UHFFFAOYSA-N 472.596 2.001 30 10 JEEE C(=NNc1nncn1N=Cc1ccc(N2CCOCC2)cc1)c1ccc(N2CCOCC2)cc1 254344196 WBRGKJLIIPBGPM-UHFFFAOYSA-N 460.542 2.280 30 10 JEEE COc1ccc(N2NOC(=O)/C2=C\C(=NC(=O)c2ccccc2)C(=O)N2CCSCC2)cc1 585673363 CDQBVDYGXJGJDK-MKIGIDJNSA-N 466.519 2.219 30 10 JEEE CCOCCOCCOC(=O)C[S@](=O)CC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 586298580 HBGNHCBTKJVKFI-ILHIWHGASA-N 456.586 2.028 30 10 JEEE C[C@@H](C(=O)c1ccc2c(c1)NC(=O)CO2)[S@](=O)CC(=O)Nc1sc2c(c1C#N)CCC2 586299630 RJRJEMBTRDSFJG-AJHPHWTPSA-N 457.533 2.398 30 10 JEEE C#CCN(C(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1)[C@H]1CCS(=O)(=O)C1 729334216 KENVVIZDCQSOJK-HOTGVXAUSA-N 457.379 2.495 30 10 JEEE Cc1nn(C(C)C)c(C)c1C=NNc1nnc(SCCC(=O)NCc2ccc3c(c2)OCO3)n1N 1084134094 DJAIXNNSVMGCJO-UHFFFAOYSA-N 499.601 2.359 30 10 JEEE Nn1c(NN=Cc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)nnc1SCC(=O)Nc1cccc(F)c1 1084407540 KCLHBQQIJPYBBZ-UHFFFAOYSA-N 475.422 2.124 30 10 JEEE N#Cc1ccc(N2CCC(NC(=O)c3cc(S(=O)(=O)N4CCC4)ccc3Cl)CC2)nc1 1125727565 DTNCSINMTGAPHC-UHFFFAOYSA-N 459.959 2.400 30 10 JEEE C=CCN1CC[C@@H](N2CCC[C@H](c3cc(N4CCN(C(=O)OC(C)(C)C)CC4)n[nH]3)C2)C1=O 1174798329 OSPIMBVMXXNYNV-AZUAARDMSA-N 458.607 2.433 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCNC(=O)[C@H](C)CCC 1286286575 ZMACKSQLAKMYSP-SJORKVTESA-N 459.620 2.249 30 10 JEEE C#CCN(c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1286388692 UNGLVYWPVUHUNI-RTBURBONSA-N 474.583 2.158 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H](C)Oc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1286396942 XKTMEJLXMNCVMW-ZHALLVOQSA-N 462.547 2.015 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(F)ccc2Br)n1CCS(=O)(=O)NC(C)C 1286403145 HFNCFCNMKJKCCV-UHFFFAOYSA-N 482.379 2.247 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC(=O)NCc1ccco1 1286442631 HPAMASUFEUZAIV-UHFFFAOYSA-N 459.510 2.044 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccc(N(CC)CC)nc2)CC1 1286472792 LBWGLOWQGGUEFJ-AREMUKBSSA-N 481.645 2.363 30 10 JEEE C#CCN1CCN(c2nnc(-c3cnccn3)n2Cc2cccc(C(=O)N[C@@H](C)CC)c2)CC1 1286477325 XHHJSIHTSAUQED-IBGZPJMESA-N 458.570 2.067 30 10 JEEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1286498909 BSONLFNDCNOWJD-MBSDFSHPSA-N 490.651 2.489 30 10 JEEE C=C1CCN(c2nnc(COc3ccccc3OC)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1286648003 AYVZEVWVGVFRQJ-GOSISDBHSA-N 461.588 2.446 30 10 JEEE C=C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC2(OCCOC)CCOCC2)CC1 1286650483 CZFVLXUFGOPNQR-PMACEKPBSA-N 450.580 2.371 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N(C)[C@H](C)CS(=O)(=O)CC 1286781777 AEGJSYROIKGEDT-GFCCVEGCSA-N 490.449 2.331 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccccc2Br)C1 1286801021 VEGJEVIPOYXBMC-GDBMZVCRSA-N 484.420 2.480 30 10 JEEE CC(C)NC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1288233363 DWWZMNMFKKADEH-HXUWFJFHSA-N 459.558 2.237 30 10 JEEE CCC(CC)NC(=O)c1nnc(N(C)C[C@H](C)C#N)n1Cc1cccnc1N1CCOCC1 1291993405 HJYZEXDVPRCTSI-QGZVFWFLSA-N 454.579 2.072 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2CCCN2CCOCC2)c1 1300334825 VELBCHFCVKNHDD-UHFFFAOYSA-N 473.581 2.042 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCOc1ncccc1F)[C@H]1CCS(=O)(=O)C1 1300482149 DGMZRZJBGOFUOZ-SFHVURJKSA-N 485.541 2.194 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H](C)Oc1ccccc1OC)[C@@H]1CCS(=O)(=O)C1 1300499058 OXDDRLGVSYMNIK-TZIWHRDSSA-N 495.605 2.367 30 10 JEEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1Cc1cccc(CN2CCO[C@@H](C)C2)c1 1300635220 HNKNJVPBYQEZNN-FQEVSTJZSA-N 450.587 2.129 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCNC(=O)c2ccco2)CC1 1300681868 BUPGLTXHHXCZJJ-SFHVURJKSA-N 466.517 2.335 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(N(CC)CC)cc2)CC1 1300723697 ZSTBRFBDZMMUIL-JOCHJYFZSA-N 477.613 2.090 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCS(=O)(=O)CC 1300780310 PHXYZLVZQRLWJQ-OAQYLSRUSA-N 463.991 2.288 30 10 JEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1300996297 CCJKTHLTSYEVOJ-UHFFFAOYSA-N 469.546 2.228 30 10 JEEE C=CCC(C)(C)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1301141539 ORBVAVMGGJUZBH-IBGZPJMESA-N 496.612 2.492 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCN2C(=O)OC[C@H]2C1 1301492684 NBBWLXWEQDQHQN-LJQANCHMSA-N 468.558 2.313 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)NC(CC)CC)nnc2N2CCN3C(=O)N(C)C[C@H]3C2)cc1 1301520883 RYHVARKMASBZHF-FQEVSTJZSA-N 481.601 2.366 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCS(=O)(=O)CC=C)C1 1301547383 ZEEGYMMMGGWBKR-SFHVURJKSA-N 460.556 2.098 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2C[C@H](C)O[C@H](C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1301595844 BXGIFGSKZYWLAY-USTZCAOPSA-N 483.635 2.263 30 10 JEEE CC(F)(F)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1303782012 IBKUBNUSKKSOHC-IBGZPJMESA-N 494.568 2.493 30 10 JEEE C[C@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCCC1(C)C 1304909065 CYGFGAFENMDFSR-XDHUDOTRSA-N 452.559 2.337 30 10 JEEE CCCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1306682029 ADFGOYJNROTPIR-UHFFFAOYSA-N 459.620 2.067 30 10 JEEE C=CCn1c(S)nc2cc(C(=O)N3CCN(C(=O)c4cscn4)[C@@H](C)C3)ccc2c1=O 1306855358 HVKFNMIVDCUXPD-ZDUSSCGKSA-N 455.565 2.314 30 10 JEEE CCNC(=O)C1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@](F)(C#N)C2)CCC1 1313979435 FPAZVCPVDCMNQQ-HSZRJFAPSA-N 451.506 2.477 30 10 JEEE CCOCC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1314284185 FGKHMXRVTJLATH-UHFFFAOYSA-N 460.604 2.397 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(C(=O)N2CCCCC2)cc1 1358872057 NWBVGGVJXYYIHI-QZTJIDSGSA-N 472.615 2.021 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cnc(C)s2)c1 1358902253 IQIZWYXHVNNQJO-KRWDZBQOSA-N 484.607 2.050 30 10 JEEE C#CCN(c1nnc(-c2ccc(Br)s2)n1C[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1358958537 QLEMULAULUNFBN-KGLIPLIRSA-N 485.429 2.432 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCN(CCC)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1358967391 JOFVXIGATRXDSJ-RTBURBONSA-N 495.646 2.403 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1359133667 XGBQSYDJJZQECR-FQEVSTJZSA-N 454.579 2.353 30 10 JEEE C=CCCOCCn1c(-c2ccccn2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1359225395 XHNAFSPAGKNUEP-UHFFFAOYSA-N 450.547 2.366 30 10 JEEE C=CCn1c(COc2ccccc2OCC)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1359289771 JXJWOHZCKVATKH-FPOVZHCZSA-N 468.602 2.431 30 10 JEEE CC(C)(C)c1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CC(=O)N1CCOCC1 1359511796 ANBRYLHOFBMRDY-UHFFFAOYSA-N 451.575 2.023 30 10 JEEE C=CCN1CCC(NC(=O)CN2CCN(Cc3ccc(Br)cc3F)CC2)CC1 1443526566 BONHTVVMRVORMF-UHFFFAOYSA-N 453.400 2.472 30 10 JEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@@]3(CO)C[C@@H]3c3ccccc3)CC2)cc1 1468573117 CHBXDLJDQBRVQR-ISKFKSNPSA-N 453.564 2.241 30 10 JEEE Cc1nc(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCN(C(=O)NC(C)(C)C)CC2)n[nH]1 1492687472 HJFUMVPBGGAZLW-UHFFFAOYSA-N 462.562 2.116 30 10 JEEE Cc1nn(C)c(N2CCN(c3nnc(C(C)(C)C)n3Cc3c(C)nn(C)c3C)CC2)c1C#N 1492727085 HHTKITAKKXOKJT-UHFFFAOYSA-N 450.595 2.214 30 10 JEEE COCCN(C)CCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(C#N)CC1 1504849517 CHHKFTPTWGLPAK-UHFFFAOYSA-N 450.547 2.302 30 10 JEEE N#Cc1ccc(OCc2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2C[C@H]2CCCS(=O)(=O)C2)cc1 1505319707 IBQORLNNWLYMOA-SJLPKXTDSA-N 499.515 2.321 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCN(C)CCOC 1507538331 LMWZLVDQLBIOFH-RBUKOAKNSA-N 464.611 2.013 30 10 JEEE C#CCCCCn1c(N2CCO[C@@H](CNC(C)=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1507573940 KIZYJSVWRADKBX-ZCNNSNEGSA-N 474.606 2.194 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@@H](C)Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 1507629084 ZPJOLYFDALQTRL-YYDVJCTNSA-N 492.667 2.497 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H](C)N2CCC[C@H](C)C2)CC1 1507717979 KBNLRTILPNVNJE-LEWJYISDSA-N 484.670 2.224 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCCOC2)CC1 1507734148 HPLODBHFQZGVRY-KRWDZBQOSA-N 452.515 2.246 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2CCN2CCOCC2(C)C)CC1 1507743055 XQCKPJQNBQZRGQ-UHFFFAOYSA-N 478.641 2.254 30 10 JEEE C#CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(c2cccnn2)CC1 1507743999 MPGXPTHEZDKWPB-UHFFFAOYSA-N 497.028 2.345 30 10 JEEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCC2(CCN(C)C2=O)CC1 1507752580 CBCWQGBLXMUSMY-UHFFFAOYSA-N 472.640 2.085 30 10 JEEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@](O)(c2ccc(F)cc2)C1 1507778269 CTDNPPAZWGWNHT-SCLBCKFNSA-N 488.383 2.034 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CCc1ccc(O)cc1 1507831578 AFLPZVYDSPXDJO-YLJYHZDGSA-N 463.604 2.350 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1508072323 JDJUXBPFBCOIPV-SFHVURJKSA-N 455.559 2.396 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(Cc2cnc(C)s2)CC1 1508079359 SAHJRSRDQYDLPK-UHFFFAOYSA-N 462.583 2.206 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ccc(C=C)cc2)C1 1508121997 BPAUSLJPCHBRLX-FGZHOGPDSA-N 487.626 2.278 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@]1(O)CCN(C)C1 1509951842 IDIITDOCBRCCST-SBUREZEXSA-N 461.611 2.198 30 10 JEEE C#CCN(c1nnc(-c2nnc(O)c3ccccc23)n1CCCSCC)[C@@H]1CCS(=O)(=O)C1 1539215485 DCNHANBNTDGFAQ-MRXNPFEDSA-N 486.623 2.364 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccc(OC)cc1C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1539223059 ZBEZUYUXDLCGQK-SJORKVTESA-N 498.527 2.484 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1coc(-c2ccc(C)cc2)n1 1539267347 YOTVYGILPZZHRU-FQEVSTJZSA-N 463.563 2.459 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@@H](C)N(CC)C(=O)OC(C)(C)C)CC1 1539477501 OVSYTHUBBWOIND-GOSISDBHSA-N 496.616 2.346 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](c2ccc(C)cc2)N(C)C)CC1 1539477741 XIRSDGGOTIDYIP-HSZRJFAPSA-N 474.613 2.256 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2c(F)cccc2F)nnc1N(C)CCNS(C)(=O)=O 1539635177 GDNKAJRUZZIDQX-MGPUTAFESA-N 469.558 2.114 30 10 JEEE C=CC1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC(=O)N2CCOCC2)CC1 1539872103 ZTMJWELKXKVEQM-UHFFFAOYSA-N 452.559 2.408 30 10 JEEE C=CCCOCCn1c(-c2ccc(C#N)cc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1540029546 UTXNCRSQNLYSQR-UHFFFAOYSA-N 458.588 2.270 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1540865655 NUXZQQVSLWIRJJ-UHFFFAOYSA-N 451.487 2.384 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC(C)(C)OC)C1 1540885662 NGJORAJFHAJSID-GOSISDBHSA-N 463.604 2.402 30 10 JEEE CCC1(CC)CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)CCS1 1546114840 ICCSODYLKHILGD-NRFANRHFSA-N 475.640 2.478 30 10 JEEE CCC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)CC1 1546703071 FMTVYKOQOHCZNN-UHFFFAOYSA-N 458.588 2.391 30 10 JEEE COCC(C)(C)CCCn1c(CN2CCCC2=O)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1555213824 FPZKVZOXNKDQNV-IBGZPJMESA-N 495.632 2.230 30 10 JEEE C=CCCC[C@@H](NC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)OC 1558380723 FCJJNZUVKLBGID-QZTJIDSGSA-N 453.517 2.152 30 10 JEEE C#CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1587755257 WCJQKAAXGHGQDF-LJQANCHMSA-N 471.631 2.346 30 10 JEEE C#CCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1587818359 VMNKKBGHUUHBKU-UHFFFAOYSA-N 458.469 2.481 30 10 JEEE C#CCN(C)c1nnc(-c2ccc(Cl)nc2)n1CCNS(=O)(=O)c1ccc(C)s1 1587939972 LCVLZYNGRUQSHH-UHFFFAOYSA-N 450.977 2.411 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1588069485 PBBSRRCVWBQKPV-CJFMBICVSA-N 497.621 2.297 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2Cc2ccc(NC(C)=O)nc2)CC1 1588779799 DAKXWSBKKVWQDO-UHFFFAOYSA-N 475.553 2.119 30 10 JEEE C=C(C)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1593660858 VIQLOKBNSOCYFM-SFTDATJTSA-N 474.675 2.477 30 10 JEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1594812051 BRDMXZXRWUSKTR-RTBURBONSA-N 497.662 2.466 30 10 JEEE C=CCN(c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(C(N)=O)nc1)C1CC1 1595058105 AOTWMMHUWXQALY-LJQANCHMSA-N 483.573 2.284 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC=CCO1 1595133051 CCWLIBARALGESE-FPOVZHCZSA-N 491.589 2.288 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1CCOC1=O 1595134266 XYDAJERCMZDJME-GOSISDBHSA-N 477.562 2.354 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCOCC2(CCC2)C1 1595497097 PTZDZZOQSNERKP-UHFFFAOYSA-N 471.558 2.280 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@@H](N2CCCC2)C1 1595497173 SDEFVAMCOKBMPY-LJQANCHMSA-N 454.575 2.329 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCCN(c2nccc(OCC)n2)CC1 1595506919 QLMDFMHFDPFSBC-UHFFFAOYSA-N 492.584 2.161 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 1595759571 GIXDAKDECWILID-GOSISDBHSA-N 499.996 2.388 30 10 JEEE CC[C@H](C#N)Oc1cccc(CNC(=O)N(C)CCN(C)c2ccc(S(N)(=O)=O)cc2)c1 1677670961 FPGQOMZPMIDNDJ-LJQANCHMSA-N 459.572 2.293 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1CNC(=O)N1CCC[C@H]1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1681943963 XQJCDLWHYJRZTB-GBESFXJTSA-N 450.580 2.221 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CC[C@@H]2CCO[C@H](C)C2)c1 1689870475 PCQATFMDVXKWQC-QFUCXCTJSA-N 464.570 2.491 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1Cc1ccc(C)n(C)c1=O 1690092446 IVFOHYGTBGGAKJ-UHFFFAOYSA-N 462.529 2.235 30 10 JEEE C=C(Br)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCS(=O)(=O)CC1 1690218335 CNXSZZJLMOEIMN-UHFFFAOYSA-N 468.377 2.291 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccnc2)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1690243114 HKGFBYGYZCPSPD-HKBOAZHASA-N 475.615 2.351 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 1690655204 KSRPVBWKJYTLOE-IRLDBZIGSA-N 479.629 2.306 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@@H](n2cncn2)C1 1690676440 ZUQOLYRXJCTOQF-LJQANCHMSA-N 450.547 2.209 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1690723495 TYERAQXCGPOASR-UHFFFAOYSA-N 488.614 2.078 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1690729215 JHAQPBRKRXKJGD-HXUWFJFHSA-N 472.619 2.087 30 10 JEEE CC(=O)N(C)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCCN2CCOCC2)CC1 1690763669 PISYPHZQVVDVJH-UHFFFAOYSA-N 465.602 2.376 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1ccccc1F)C1CC1 1705534181 BGDJLBMLTBYIBO-FQEVSTJZSA-N 461.563 2.333 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1CCN(C)CCCC)[C@H]1CCS(=O)(=O)C1 1705562723 IICMGDWKAARZTQ-FQEVSTJZSA-N 487.626 2.075 30 10 JEEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCNC(=O)C1CCC1 1705613246 XSYWQBMAOUDBJZ-UHFFFAOYSA-N 450.591 2.218 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 1705627240 AFEVWJOHDDXWQG-UNMCSNQZSA-N 467.570 2.424 30 10 JEEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1705814172 FSVNVGCYUQOMCS-UHFFFAOYSA-N 495.609 2.135 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC(NC(=O)c2ccccc2C)CC1 1705931794 ATSZXIDNJKWEJD-UHFFFAOYSA-N 495.609 2.043 30 10 JEEE CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCn2ccnc2C)CC1 1710045818 CPHZFMMRFAHILK-UHFFFAOYSA-N 475.601 2.012 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCS(=O)(=O)NC(C)C 1722297385 ZNJCPWBXOMYJLQ-QGZVFWFLSA-N 482.651 2.178 30 10 JEEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C[C@H]2CCOC2)CC1 1722332526 MGQKMXGMULXPDX-NHCUHLMSSA-N 488.633 2.158 30 10 JEEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCC1(F)CCC1)[C@H]1CCS(=O)(=O)C1 1722360368 UCNYHYHXFPAHTB-SFHVURJKSA-N 494.614 2.258 30 10 JEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1722386664 GNJSHSMVHKWATE-MRXNPFEDSA-N 464.517 2.227 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCN1CCCS1(=O)=O 1722422175 WMCUMGDPHOMUPF-KRWDZBQOSA-N 477.656 2.253 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2CCN(C)CC(F)(F)F)CC1 1722443675 YSHXKGCIOUGRML-UHFFFAOYSA-N 478.519 2.414 30 10 JEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1c1ccc2c(c1)OCO2 1722450908 DNQULHJBHOJTBG-DOTOQJQBSA-N 477.612 2.325 30 10 JEEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1722457160 RUKKMHFOEFCSGD-UHFFFAOYSA-N 465.627 2.174 30 10 JEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 1722462679 QQMRIYFIWLHKJU-SFHVURJKSA-N 460.648 2.146 30 10 JEEE C=C(Br)Cn1c(Cn2ccc3ccccc32)nnc1N1CCN(CC(=O)NCC)CC1 1722486573 AALKHKJPXRWELZ-UHFFFAOYSA-N 486.418 2.448 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)Cc1ccccc1OC 1722523210 HCWVDLUKFPGLRN-FXAWDEMLSA-N 463.604 2.263 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1722587900 DKNRJWUZLDJRRS-RTBURBONSA-N 465.664 2.472 30 10 JEEE C=CC[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N(C)CC(=O)N1CCOCC1)c1ccccc1 1722595544 XJZNMXKREXFTNM-NRFANRHFSA-N 466.586 2.169 30 10 JEEE C=CCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1722624892 HLRHOHCOZGUPOR-UHFFFAOYSA-N 472.553 2.230 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1722700881 XYVNQOQDUQLPAV-UHFFFAOYSA-N 484.601 2.484 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(CC)[C@H](C)C1 1722723648 BJFZYADHAAYXDP-CQSZACIVSA-N 471.425 2.167 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](c2nc(C)cs2)C1 1722728172 QZCMPRRZHISDMQ-MRXNPFEDSA-N 461.617 2.428 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CCN(c2nccc(OC)n2)CC1 1722750778 OFXTWHFFPBCBHI-UHFFFAOYSA-N 497.625 2.234 30 10 JEEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCOC[C@@H]2CCCO2)[C@H](C)C1 1722781846 KFWFOZDOOCIXNM-GCJKJVERSA-N 452.559 2.459 30 10 JEEE CC(C)(C)S(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1723018113 GKUZQCQFGFRJIW-UHFFFAOYSA-N 494.625 2.070 30 10 JEEE CNC(=O)CC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)NC(C)(C)C)CC1 1729692085 FCNJXUMBIXCGGT-UHFFFAOYSA-N 451.575 2.474 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2Cc2cnn(C)c2C)c1 1740564324 JNLHCEUSTBGQHX-UHFFFAOYSA-N 454.538 2.410 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CC1(COC)CCOCC1)[C@H]1CCS(=O)(=O)C1 1740618268 FZZAAVKYCCLAFP-FQEVSTJZSA-N 488.610 2.024 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CC1([S@](C)=O)CCC1)[C@@H]1CCS(=O)(=O)C1 1740626177 SXSGDPZPBULQBU-FTDQSSOUSA-N 496.605 2.075 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(Br)cn2C)n1CC(=O)NCc1ccco1 1740646910 LKWTYOHTDUAVMW-UHFFFAOYSA-N 469.343 2.418 30 10 JEEE C#CCN(CC)c1nnc(-c2cc(OC)ccc2Br)n1Cc1cn(C2COC2)nn1 1740664352 NEQOXVXWFLHIMD-UHFFFAOYSA-N 472.347 2.387 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H]1CN(CC(C)C)CCO1 1740684221 LGJBMVXJJVROIB-LJQANCHMSA-N 479.585 2.037 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2CCCC(=O)NC2CC2)CC1 1740703660 AGBUXYDFNNNZLR-UHFFFAOYSA-N 452.534 2.109 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1740722870 HKUHCDXMWZEROO-AVRWGWEMSA-N 475.528 2.401 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)CC(=O)NC(C)C 1740755617 BKQJCBTVJQMPKV-PXNSSMCTSA-N 489.646 2.180 30 10 JEEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1740884710 KEGCUHSUCFWDAE-UHFFFAOYSA-N 452.519 2.023 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)cc1F 1740932616 RWWVIUFSFLVUNA-GOSISDBHSA-N 453.515 2.116 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCC[C@H](C(F)(F)F)C2)nnc1[C@@]1(OCC)CCOC1 1740994429 RHMHVHWSGGYLBD-MAUKXSAKSA-N 466.526 2.310 30 10 JEEE CC(C)C[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C)N(C)C 1741422402 HHLZXDLKJBFVGZ-HSALFYBXSA-N 467.622 2.135 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cnn(Cc2ccccc2)c1 1741801763 CIUYXAJFZWLHBG-FXAWDEMLSA-N 453.572 2.212 30 10 JEEE CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1747413706 DQKPAPSCEWTFHK-FQEVSTJZSA-N 452.540 2.224 30 10 JEEE CNC(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@](C)(O)c2ccco2)C1 1748188384 BGBHRLAWQTXSCM-UUOWRZLLSA-N 464.526 2.192 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C 1748672798 XVXYOXPQCPYEGX-BBWFWOEESA-N 451.593 2.038 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1CCCN1CCN(c2ccccc2)CC1 1748886622 JKHSGZJTCVWCCZ-UHFFFAOYSA-N 454.582 2.410 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@H](C)CNC(=O)OC(C)(C)C)CC1 1749011201 YPBAILMWCJULMM-GOSISDBHSA-N 483.617 2.410 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2noc3c2COCC3)n1CCc1ccc(S(N)(=O)=O)cc1 1749154153 NIHBPVVRVPVKQW-UHFFFAOYSA-N 472.571 2.298 30 10 JEEE C=C(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1749169126 PGSMTPLQLDTMHD-FQEVSTJZSA-N 453.591 2.121 30 10 JEEE C=C(Cl)Cn1c(-c2cccc(C)n2)nnc1N1CCN([C@H](C)C(=O)NCCCOC)CC1 1749265423 VCPQCLVBMDOZHB-GOSISDBHSA-N 461.998 2.064 30 10 JEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2CCN(CC(F)(F)F)CC2)CC1 1749286433 LADMCNSEEWBOLV-HNNXBMFYSA-N 464.558 2.319 30 10 JEEE C=CC1CCN(c2nnc(CCN3CCN(c4ccccc4)CC3)n2CCC(=O)NC)CC1 1749345514 KYMOKOOKKUSWJW-UHFFFAOYSA-N 451.619 2.181 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2ccncc2)n1CCN1CCN(C(C)=O)CC1 1749531703 LWRJEPQADOBKCC-UHFFFAOYSA-N 484.608 2.492 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C)N1CCN(CC)CC1 1749538832 NEZBCZKVMKZKEU-UNMCSNQZSA-N 451.619 2.448 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CCN(c2cnccn2)CC1 1749657719 BPMFZCNLUIYETM-UHFFFAOYSA-N 483.374 2.126 30 10 JEEE COCCN(CCC#N)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1CCCOC1 1749829947 BNFVRTRMSHXIAE-IBGZPJMESA-N 454.579 2.245 30 10 JEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1760130095 DYWZYOFLKZKSFP-ZDUSSCGKSA-N 471.509 2.063 30 10 JEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@@H](C)c2cccc(OC)c2)CC1 1760155192 SQJKIUVHGRNPHT-FPOVZHCZSA-N 471.627 2.485 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(N(C)c2ccccc2)CC1 1760155212 UAGUCEGXTXFWEN-QFIPXVFZSA-N 486.642 2.130 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C(C)(C)C)C1 1760322365 RKSHJOJQLGAFQT-FYQPLNBISA-N 481.663 2.465 30 10 JEEE C=C(C)Cn1c(N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)nnc1[C@]1(OCC)CCOC1 1760349188 CQBKTFWKZSULQZ-JTSKRJEESA-N 451.568 2.236 30 10 JEEE C=C(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C(=O)NCCC)C1)c1ccccc1 1760362288 GFJAIFZQVVWODH-QUCCMNQESA-N 474.631 2.344 30 10 JEEE C=C(Cn1c([C@@H](C)CC)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1)c1ccccc1 1760362558 OCWMINSYNQLGMB-IBGZPJMESA-N 466.586 2.012 30 10 JEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 1760432813 MXNOHPXFFHPMAI-JKSUJKDBSA-N 456.613 2.206 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1 1760523681 FPUHRTYJHXTNFN-SFHVURJKSA-N 472.977 2.090 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1760526026 AOMHEPAFBVLWNB-QFIPXVFZSA-N 468.602 2.077 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCCCCC1 1760551267 YWARXDMFYVIZED-UHFFFAOYSA-N 452.602 2.330 30 10 JEEE CC(=O)NC1CCC(N(C)c2nnc(-c3cccc(C#N)c3)n2CCN2CCOC[C@@H]2C)CC1 1760633474 GFBXFLGPHRCDEW-NWLLBJEDSA-N 465.602 2.421 30 10 JEEE Cc1noc(C)c1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCC#N)CCC(C)C 1762663857 FBVLAROCOARGBO-IBGZPJMESA-N 479.607 2.030 30 10 JEEE CC[C@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CC1CCN(CCN(C)C)CC1 1763740404 CJKXOZOPSHDVQT-FQEVSTJZSA-N 496.708 2.305 30 10 JEEE CN(C)c1ccc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2CCN2CCOCC2)cc1 1862559137 IKNVBFIFJUHYGE-QFIPXVFZSA-N 450.539 2.245 30 10 JEEE C=CCn1cc(OCC(=O)NCc2ccccc2Cl)c(=O)cc1CSc1nnnn1C 1870184139 JUHQWWHMGNBREH-UHFFFAOYSA-N 460.947 2.199 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)N(C)C[C@@H]2CCCO2)cn1Cc1ccncc1 1870548005 RGVKBUUIJOCNQO-QHCPKHFHSA-N 466.582 2.482 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCc2ccc(OC)cc2)cn1C[C@H](C)O 1870648540 BAABHKABLXQTDI-IBGZPJMESA-N 455.555 2.107 30 10 JEEE C=CCn1c(C(=O)N2CCN(c3ccccc3F)CC2)cc2c(N3CCN(C(C)=O)CC3)ncnc21 1873561531 ONHAWVJZQSDJNY-UHFFFAOYSA-N 491.571 2.387 30 10 JEEE C=CCn1c(C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc2c(N3CCC[C@@H](C)C3)ncnc21 1873593052 CNMNBVJWDYVYSV-MRXNPFEDSA-N 468.583 2.431 30 10 JEEE COc1cc(/C=N/n2c(CCOc3ccccc3)nnc2SCC(N)=O)cc(OC)c1O 1874344663 ZSAYBICYWACBAI-FSJBWODESA-N 457.512 2.082 30 10 JEEE N#CC1(NC(=O)Cn2cnc(I)c2I)CCCC1 1963522241 GMOQNJRLUMRODH-UHFFFAOYSA-N 470.052 2.045 30 10 JEEE COC(=O)c1cccc(S(=O)(=O)Nc2cccc(S(=O)(=O)N=C3CCCN3C)c2)c1 2040789639 BHVLCHVPXQIHKJ-UHFFFAOYSA-N 451.526 2.087 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCO[C@H](CC(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2187901397 HYYFQKRLISHWME-HOTGVXAUSA-N 462.356 2.177 30 10 JEEE CN(C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1)[C@@H]1CCN(C(=O)OCc2ccccc2)C1 2255650428 PGHFZBAQHWGIPT-GOSISDBHSA-N 468.363 2.202 30 10 JEEE COCC[C@H](CNC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2255802827 FPGQMLMGDUTBNG-CYBMUJFWSA-N 455.386 2.102 30 10 JEEE CC(C)(C)OC(=O)NCc1nnc(NC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)o1 2255843315 FSTGPUIUWVSIBF-UHFFFAOYSA-N 451.314 2.102 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@@H]1CNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2255878812 FUHHZAIINRVONN-AWEZNQCLSA-N 452.382 2.413 30 10 JEEE CC(C)C[C@H](ONC(=O)OC(C)(C)C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2256637387 UEAOXLMUPYGULV-LBPRGKRZSA-N 456.374 2.069 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)CC1 2256678014 JUVTVKPDFHAYPQ-ZDUSSCGKSA-N 452.386 2.235 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCN(c2nccc(B3OC(C)(C)C(C)(C)O3)c2F)C[C@H]1CO 2266062274 OANIGVDSSUEXJC-HOCLYGCPSA-N 451.348 2.232 30 10 JEEE CC(C)(C)OC(=O)N1CCSC[C@@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267266358 OSXMTMQEZWGNQX-INIZCTEOSA-N 463.409 2.463 30 10 JEEE C=C(CS(=O)(=O)N[C@H]1CO[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1)B1OC(C)(C)C(C)(C)O1 2267469989 DDLFODMYFPJLHP-IERDGZPVSA-N 472.413 2.262 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(Cl)cc2B2OC(C)(C)C(C)(C)O2)C1 2267508931 MTIZLCOGJXOUEC-IAGOWNOFSA-N 466.771 2.349 30 10 JEEE Cc1c(C(=O)NCCC[C@H](C)NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267527196 CWLFJFTZBDDBIZ-AWEZNQCLSA-N 450.389 2.451 30 10 JEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CCC(O)(CNC(=O)OC(C)(C)C)CC1 2281797328 TWGKZAOSVMNKNB-UHFFFAOYSA-N 464.368 2.379 30 10 JEEE Cn1ncc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC23CCC3)c1B1OC(C)(C)C(C)(C)O1 2281824135 IYUPZBUKTBBZJD-INIZCTEOSA-N 460.384 2.239 30 10 JEEE CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H]2CNC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2281932092 YGTSAHMZBQFIPM-HNNXBMFYSA-N 460.384 2.476 30 10 JEEE Cn1nc(C(=O)NCC2CC3(CCN3C(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2281960461 AAGIGAUPKMAZEY-UHFFFAOYSA-N 460.384 2.239 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@]2(CCN(C(=O)c3sncc3B3OC(C)(C)C(C)(C)O3)C2)C1 2282020629 AQAXCEBWJPQSCY-JOCHJYFZSA-N 479.408 2.294 30 10 JEEE CCc1nc(C(=O)NC[C@H]2CNCCN2Cc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)s1 2282021515 NPKWMTSLBNHXIW-GOSISDBHSA-N 470.448 2.209 30 10 JEEE Cn1nc(C(=O)NCC2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2282037707 YWQRALRKSGOOGY-ZIAGYGMSSA-N 480.802 2.215 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C23CCC3)n1 2282051159 RQNKCHKGORSGMS-JKSUJKDBSA-N 460.384 2.285 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2282325439 FEJBPEDEIRMERH-JLCFBVMHSA-N 482.383 2.413 30 10 JEEE C[C@H](CNC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1)N1CCN(C(=O)OC(C)(C)C)CC1 2282528396 RDLLCVCFAHQMBN-OAHLLOKOSA-N 480.440 2.113 30 10 JEEE C[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2CN1C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2282551194 IEJLHRLOTJWDLX-BZUAXINKSA-N 460.384 2.047 30 10 JEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)C1NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2282685934 MERDKILSBFJTBN-GJZGRUSLSA-N 460.384 2.397 30 10 JEEE COC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2c(cccc2B2OC(C)(C)C(C)(C)O2)C1 2283927035 VXPQHDQYXWBOBC-IBGZPJMESA-N 460.380 2.410 30 10 JEEE CO[C@H]1C[C@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)c(C)n2)N(C(=O)OC(C)(C)C)C1 2283948739 QKBWLMDVGKNGTH-GOEBONIOSA-N 462.356 2.047 30 10 JEEE CN(Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)[C@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C 2283951042 RXDJKCDUMMFXQG-RTBURBONSA-N 460.380 2.315 30 10 JEEE COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1NC(=O)C1(NC(=O)OC(C)(C)C)CC(O)C1 2284058313 KSXPWKBHFHGKGK-UHFFFAOYSA-N 462.352 2.351 30 10 JEEE CC(C)(C)OC(=O)N1CCOC(C)(C)[C@@H]1C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2284135177 MJAOGDRZTAQBPN-INIZCTEOSA-N 481.424 2.473 30 10 JEEE COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)N[C@H](COCc1ccccc1)C(=O)O 2284463186 SHHIFHMGUVECTC-LJQANCHMSA-N 455.316 2.394 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 2285203726 KESXOHLDAGNNCQ-KRWDZBQOSA-N 461.368 2.055 30 10 JEEE CN(CC1(O)CN(C(=O)OC(C)(C)C)C1)C(=O)c1cc(F)ccc1B1OC(C)(C)C(C)(C)O1 2287303501 YSUPPPAINBXXHX-UHFFFAOYSA-N 464.343 2.179 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2OCC[C@]2(C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C1 2296391312 HWUPVVSGGPKQIX-FPTDNZKUSA-N 479.408 2.085 30 10 JEEE COCCc1nnc(SCC(=O)NCc2ccccc2)n1N=Cc1ccc(OC)c(O)c1 2331310982 BLWFCYVOMQABOD-UHFFFAOYSA-N 455.540 2.472 30 10 JEEE CC(C)(C)OC(=O)N1CC(F)(F)[C@](C)(NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2336407993 NRTNGJJMOULUQX-LJQANCHMSA-N 456.299 2.083 30 10 JEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@]12CO[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)C2 2359263246 NBVQJPCGSKRJJQ-PXAQALGRSA-N 462.352 2.442 30 10 JEEE Cn1cc(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)CC23CC3)c(B2OC(C)(C)C(C)(C)O2)n1 2361543627 RNDBUHMNDVDHJC-OAHLLOKOSA-N 460.384 2.096 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H]3CC[C@H]32)n1C 2362333245 RPSQCYYIQVTDMX-CVEARBPZSA-N 460.384 2.252 30 10 JEEE COc1ccc(/C=N/Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)cc1OC 33958506 UZBMIMMMIMXORF-DEDYPNTBSA-N 450.473 2.079 30 10 JEEE Cc1ccc(NS(=O)(=O)CCN2C(=O)c3ccccc3C2=O)c(B2OC(C)(C)C(C)(C)O2)c1 704366497 AILZWLCVHXVYHX-UHFFFAOYSA-N 470.356 2.332 30 10 JEEE COc1ccc(C=NNc2nc(SCC(=O)NCc3ccc4c(c3)OCO4)n[nH]2)cc1OC 1084338649 BDHYSCCCYJSYSM-UHFFFAOYSA-N 470.511 2.405 30 10 JEEE C=CCN(C(=O)c1cc(S(=O)(=O)N2CCCC[C@H]2C)ccc1C)[C@@H]1CCS(=O)(=O)C1 1125953245 CNCPMKGUBNIAQK-QZTJIDSGSA-N 454.614 2.373 30 10 JEEE COC(=O)[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)c1ccc2ccccc2c1 1137751717 GLDMDNAYOFJUSV-YCRPNKLZSA-N 451.504 2.409 30 10 JEEE CN(C[C@@H]1C[C@H](F)CN1C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C(=O)OC(C)(C)C 1140604427 BXEGTGMCYHQMHU-ROUUACIJSA-N 453.536 2.279 30 10 JEEE C=CCN1CCC(NC(=O)Nc2cc(Br)ccc2N2CCN(C)C(=O)C2)CC1 1219435292 BWOWHAIFYKZSCE-UHFFFAOYSA-N 450.381 2.499 30 10 JEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(=O)c2ccc(Cl)cc2)CC1 1286341535 GSKBIHWYSIWOBJ-KRWDZBQOSA-N 493.033 2.308 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCNC(=O)OC(C)(C)C 1286408083 BEURTSJYLZTDNI-UHFFFAOYSA-N 475.553 2.272 30 10 JEEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1C[C@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1286438013 TYRFTYQGHJAJPM-KSYXXAMZSA-N 489.617 2.414 30 10 JEEE C=C(C)Cn1c(COc2ccc(OC)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1286597367 LBJZSTTYBYQOPH-NRFANRHFSA-N 454.575 2.185 30 10 JEEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1286604925 YIONTURJDPZFBB-JOCHJYFZSA-N 473.965 2.401 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccncc1 1286746484 ZBJKICPVVBUJQC-QFIPXVFZSA-N 482.610 2.441 30 10 JEEE CCOC[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2CCS(=O)(=O)CC2)C1 1297418679 DFXCSADSMUWBJM-FQEVSTJZSA-N 473.599 2.416 30 10 JEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(c2cnn(CC)c2)CC1 1300364921 OSJRYBSASVTDNJ-NRFANRHFSA-N 489.646 2.015 30 10 JEEE C#CCN(c1nnc(C2CCC2)n1CCNC(=O)c1ccc(C)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1300492859 PIKPZPUBHMICBG-LJQANCHMSA-N 473.574 2.050 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCO[C@@H]1CCCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1300506180 OKTCTWHDUSHZIE-UAFMIMERSA-N 450.605 2.352 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C1CC1)N(C)C 1300578796 PFIZIIONAJVULD-LEWJYISDSA-N 470.618 2.390 30 10 JEEE C#CCN(CC)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@H]1CCCN1S(C)(=O)=O 1300618429 FFMLCVWNCMPRDR-GOSISDBHSA-N 454.556 2.484 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1N1CCOCC1 1300914585 DYJORRJRKFWJCB-FQEVSTJZSA-N 459.616 2.468 30 10 JEEE C=C(Cl)Cn1c(N2CCN(CC(=O)N[C@@H]3CCC[C@H](C)C3)CC2)nnc1[C@]1(OCC)CCOC1 1301060537 HLKKXIHSICLFOL-NRYAXDJKSA-N 495.068 2.500 30 10 JEEE C=CCC(C)(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1301144112 WBPSVOMNTOBVND-UHFFFAOYSA-N 481.644 2.033 30 10 JEEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCNC(=O)OC(C)(C)C 1301422651 RRWVKODKIWMRAB-UHFFFAOYSA-N 483.573 2.356 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC(NC(=O)C(C)C)CC1 1301479180 VSOOSCQBQAULJV-UHFFFAOYSA-N 481.601 2.190 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1301493398 XTPQAVWOFXDJAO-RPPIVITFSA-N 485.585 2.427 30 10 JEEE C=CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1301613178 VKTYEAHRAYXMNU-PMACEKPBSA-N 462.664 2.224 30 10 JEEE N#C[C@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCc2ccccn2)CCO1 1303001478 AXHHKNAIEVUHSZ-IBGZPJMESA-N 451.918 2.228 30 10 JEEE CCc1nn(C)c(OC)c1Cn1c(CNC(=O)c2cccs2)nnc1N(C)[C@H](C)CC#N 1306050482 AVTXQSULQGPGDX-CQSZACIVSA-N 456.576 2.361 30 10 JEEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1Cc1ccc([C@@H](C)O)cc1 1314393228 BMWKKTDYJVBKEF-ZWKOTPCHSA-N 462.558 2.293 30 10 JEEE C#CCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1358906656 OQOGBDOMZIUYKW-SFHVURJKSA-N 451.487 2.130 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCO[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1358959893 RNSPNUPIHRZLTC-FBBABVLZSA-N 453.568 2.259 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1358963334 GLJCIUXMMPVMHW-DLBZAZTESA-N 464.538 2.343 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1Cc1nccn1C(F)F)[C@H]1CCS(=O)(=O)C1 1358964972 LJVFDEQENUWAJO-KRWDZBQOSA-N 478.500 2.275 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCN(c2ncccn2)CC1 1359091559 OWRRAVDADOSARP-UFYCRDLUSA-N 457.579 2.100 30 10 JEEE C=C(C)CN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC(=O)N1CCOCC1 1359106631 LEMAWOZDWGAHDA-UHFFFAOYSA-N 460.966 2.123 30 10 JEEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)CC2CCCCC2)CC1 1359226580 ILMSIEGQYBMYON-FQEVSTJZSA-N 458.607 2.441 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(COc3ccccc3CC)n2CC2(O)CCS(=O)(=O)CC2)C1 1359325322 CGBJYNOCXQAMMG-FQEVSTJZSA-N 490.626 2.141 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1359334131 UKBZIWDQGLUFQR-HZPDHXFCSA-N 452.650 2.154 30 10 JEEE C=CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H](C(=O)OC)C1 1359337944 GWSKJHQTGFMINK-QGZVFWFLSA-N 479.628 2.114 30 10 JEEE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)c2ccco2)C1 1359357362 DSPRKGMIIDIGDI-LJQANCHMSA-N 461.526 2.144 30 10 JEEE Cc1ccc(CNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)c(OC[C@H]2CCOC2)c1 1445565630 GRSFVAKWKFTECI-KRWDZBQOSA-N 457.552 2.155 30 10 JEEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2oc(CC)nc2C)C1 1502482139 DGMAULOUMGWGAQ-LJQANCHMSA-N 499.597 2.154 30 10 JEEE COc1cc(Cl)ccc1-c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CCCS(=O)(=O)C1 1504109170 HOJYQPKRTXRZGN-GDBMZVCRSA-N 465.963 2.161 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCN(C)[C@H]1c1cccs1 1507514964 FSNFXDFMTCGCBC-IMBTUZDBSA-N 464.661 2.491 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1ccccc1OC)C1CC1 1507589446 XEBIUGWVAFIXNP-OAQYLSRUSA-N 473.599 2.202 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 1507658180 FWVOQESFJBPXFC-UHFFFAOYSA-N 454.575 2.446 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccnc(-n2cccn2)c1 1507680728 LMFAHSRCSDBYEF-UHFFFAOYSA-N 461.551 2.437 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1507722141 PXHHXWNQUHCPHP-SFTDATJTSA-N 471.627 2.225 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2C[C@@H]2CCN(CC(F)(F)F)C2)CC1 1507734299 UHABWVOMGMVRFX-MRXNPFEDSA-N 454.541 2.426 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1507745008 YWAVADMLSAKSRO-KRWDZBQOSA-N 469.615 2.423 30 10 JEEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1507747144 FNHBYIWTWJJKKU-QHCPKHFHSA-N 490.651 2.489 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OCC=C)cc1 1507772457 LDVGFVZXKSZKJJ-ZJSXRUAMSA-N 485.610 2.216 30 10 JEEE C=CCNC(=O)Cn1c(N2CCO[C@@H](C(F)(F)F)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1508097827 LBZOWNYMGYQRGS-QLFBSQMISA-N 488.511 2.119 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1508106371 SXVCDSUWQLQTOY-SFHVURJKSA-N 468.558 2.404 30 10 JEEE CCN1CCN([C@@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCCO[C@H](C)C2)CC1 1515903949 ICYXKNCBFOTOOX-LEWJYISDSA-N 467.618 2.370 30 10 JEEE CN(CCc1nccs1)c1nnc(-c2ccc(C#N)cc2)n1CCC(=O)N1CCOCC1 1517278355 ABOADFHGELTFQD-UHFFFAOYSA-N 451.556 2.201 30 10 JEEE N#CCC1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCn2cc(CO)nn2)CC1 1521136479 GDAOLZAHUIWCDG-UHFFFAOYSA-N 474.367 2.340 30 10 JEEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@H](C)CN1CCOCC1 1539025408 HXMBUNJGBDELLB-ZEQRLZLVSA-N 479.673 2.069 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccccn2)n1CCNS(=O)(=O)c1ccc(C)s1 1539311373 KGVRHPBGYRNKFZ-UHFFFAOYSA-N 454.581 2.151 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCCO[C@H]2C(C)(C)C)CC1 1539466714 DTHKNLSLHNRVEX-LEWJYISDSA-N 484.645 2.321 30 10 JEEE C#CCSCCn1c(C2CCC2)nnc1N1C[C@@H]2[C@@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1539514281 PHSYECYHJPVISY-SQNIBIBYSA-N 495.671 2.039 30 10 JEEE C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 1539683500 SVKSJBSUNCJKGQ-SFHVURJKSA-N 473.603 2.332 30 10 JEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 1540004495 ADFMFFCFWUISNB-APWZRJJASA-N 495.568 2.107 30 10 JEEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)c2ccsc2)CC1 1540039803 GSTPXQJTEXMDTH-UHFFFAOYSA-N 458.588 2.017 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1540872380 MZAGDJHLJHLTNV-UHFFFAOYSA-N 456.566 2.393 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1540875648 SNQDHNCEBAGVRS-OAHLLOKOSA-N 470.471 2.371 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCC[C@H](N2CCCC2=O)C1 1540901108 SSADMTXWZXNJOR-KRWDZBQOSA-N 461.563 2.276 30 10 JEEE C=C(CCN(C)C)C(=O)N1C[C@@H]2OC(=O)N(C3CCN(C(=O)OCc4ccccc4)CC3)[C@@H]2C1 1557661189 LBXGOKUCAVXLPR-YADHBBJMSA-N 470.570 2.327 30 10 JEEE C#CCNS(=O)(=O)c1ccc(C(=O)N(C)C[C@@H](O)c2ccccc2Br)cc1 1570352801 DKXFDBPFHCELDR-GOSISDBHSA-N 451.342 2.166 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccc(C#N)c3)n2Cc2cnn(C)c2C)n1 1588722482 BRDQODQLCOONRM-UHFFFAOYSA-N 469.553 2.390 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCCN2C[C@@H](C)C[C@H](C)C2)CC1 1588865336 UEEJOPNBLVSJMT-SFTDATJTSA-N 483.686 2.393 30 10 JEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCC(=O)NC2CCCCC2)CC1 1594192506 JZQMDYDSZPKJDS-MRXNPFEDSA-N 452.625 2.130 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1595477713 XXQRFVRMNKJIOU-VQTJNVASSA-N 485.608 2.076 30 10 JEEE C[C@@H]1CN(CCCn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@@H](CC(N)=O)C2)C[C@@H](C)O1 1612994898 GRPGPVRKEOPOJV-SJBKTWHCSA-N 495.628 2.320 30 10 JEEE CCN(C)C(=O)Cn1c(-c2cccn2C)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1615095529 DLVMPCMXCAABIJ-UHFFFAOYSA-N 450.522 2.099 30 10 JEEE COC[C@H](C)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCO[C@H](C#N)C1 1619581879 GAJBHSPSCMGGHO-IAGOWNOFSA-N 451.531 2.247 30 10 JEEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCO[C@@H]3CCN(Cc4ccccc4)C[C@H]32)cc1 1640753264 HORFDKSYZOUGSC-DHIUTWEWSA-N 455.580 2.266 30 10 JEEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N2C[C@@H](O)[C@@H](CO)C2)c1 1642401935 QNEUATIAPZSPTM-OXQOHEQNSA-N 450.944 2.147 30 10 JEEE N#Cc1ccc(CN2CC[C@@H](NC(=O)N[C@H](CO)c3cccc(Br)c3)C2=O)cc1 1682021256 CPJWCFTWPNTKDN-RTBURBONSA-N 457.328 2.454 30 10 JEEE C#CCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1Cc1cccc(N2CCOCC2)n1 1689944079 KAWCPUGSHBIMCG-UHFFFAOYSA-N 459.554 2.497 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1CCc1ncc(CC)s1)[C@@H]1CCS(=O)(=O)C1 1689986043 HMSYDIPPFMVPJX-MRXNPFEDSA-N 456.597 2.228 30 10 JEEE C#CCN(c1nnc(CCOc2ccccc2)n1C[C@@H]1CCCCN1CC)[C@H]1CCS(=O)(=O)C1 1689993811 MAKHPXCJCDWYEK-VXKWHMMOSA-N 485.654 2.401 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@]1(O)CCO[C@H]1C 1690046044 VWGRMQDMGGYVFQ-WZOHSFFVSA-N 471.602 2.395 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCC[C@]2(CCOC2)O1 1690096467 ULGSAWVQCWOZTF-HYBUGGRVSA-N 488.610 2.163 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)cc1F 1690265386 NTRWDUKZDCPICT-GOSISDBHSA-N 455.531 2.340 30 10 JEEE C=C(Cl)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1690348882 FCSRUBPTWHICJZ-UHFFFAOYSA-N 463.995 2.177 30 10 JEEE C=CC1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC[S@](=O)CC)CC1 1690402859 SGSMTOZJEZVAOZ-SSEXGKCCSA-N 465.645 2.366 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1690432913 OGKFXJPDPJCPCU-MOPGFXCFSA-N 462.620 2.193 30 10 JEEE C=CCCOCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCCN(C(=O)C(C)C)CC1 1690503079 OYCBCLJJTRLTTO-UHFFFAOYSA-N 479.589 2.208 30 10 JEEE C=CCCOCCn1c(-c2ccccc2OC)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1690504010 VOHONWPDJOERRM-OAQYLSRUSA-N 455.559 2.374 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1C[C@@H]1C 1690560552 WFWUOKITAODZJL-WMQCIHAUSA-N 470.599 2.331 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H]1c1ccccc1OC 1690714646 QMUXTMUFMGMMGO-SFHVURJKSA-N 461.588 2.367 30 10 JEEE Cc1cc(C(F)(F)F)ccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1 1692957513 CRTKXAALZYFTGX-DOTOQJQBSA-N 469.489 2.285 30 10 JEEE C#CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CC(=O)NC(C)C 1705516538 DEWFQCZLPVVYQC-GOSISDBHSA-N 462.595 2.351 30 10 JEEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1705520222 MFPREPDLLLKKFD-UHFFFAOYSA-N 497.669 2.208 30 10 JEEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1705532243 JRDUPKUSUXMGSK-IFMALSPDSA-N 494.644 2.233 30 10 JEEE C#CCN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC(=C)C)[C@H]1CCS(=O)(=O)C1 1705562073 YIHADAGFKDBBFB-SFHVURJKSA-N 461.975 2.064 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2CCc2cccc(C(=O)NC)c2)CC1 1705650225 NCIIRSAEOXWYOT-UHFFFAOYSA-N 490.633 2.499 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2CC(=O)NCc2ccco2)CC1 1705651212 NSFHWURFIKMHES-UHFFFAOYSA-N 490.564 2.041 30 10 JEEE C#CCSCCn1c(-c2ccc(C)c(Br)c2)nnc1N(C)CCNS(C)(=O)=O 1705654461 JHYXUZVURKLPAI-UHFFFAOYSA-N 486.461 2.368 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1705694038 NIEKWEKVATVZAX-PMACEKPBSA-N 474.606 2.410 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(CS(C)(=O)=O)c1 1705717725 QGJTVRGDSYLTHK-LJQANCHMSA-N 466.629 2.176 30 10 JEEE C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1705721688 QKEUQPNTBYRBAD-AWEZNQCLSA-N 457.398 2.140 30 10 JEEE C=CCCOCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCO[C@H](C(=O)NC)C1 1705826701 GSOOHBIOCRCOSN-NRFANRHFSA-N 450.543 2.346 30 10 JEEE C=CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H](C)CN1CCOCC1)C1CC1 1705849989 BUKCYDVDMMCUBY-GOSISDBHSA-N 459.616 2.472 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)N2CCCC2)CC1)C(C)C 1705867567 PZHDWVOQDCELEL-YADHBBJMSA-N 498.676 2.266 30 10 JEEE C=CCn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1705888635 KDMJHMUQLQTYSC-DYESRHJHSA-N 454.575 2.137 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 1705902788 JRDJBLWUSKDPOA-OALUTQOASA-N 471.537 2.361 30 10 JEEE C=CCNC(=O)Cn1c(N2CCO[C@@H](c3ccc(F)c(F)c3)C2)nnc1[C@@]1(OCC)CCOC1 1705909094 MTENICOUAPCCGO-AUSIDOKSSA-N 477.512 2.089 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCCNC(=O)c2occc2C)C1 1705914321 LFFMAPQARDMXFZ-GOSISDBHSA-N 456.547 2.017 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CCNS(C)(=O)=O)C1 1705919323 BNUANBHTWQRMQM-INIZCTEOSA-N 484.420 2.347 30 10 JEEE CCS(=O)(=O)N(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1710884616 DWZUHEIYSCUYLX-NHCUHLMSSA-N 472.615 2.351 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1cccc(C(OC)OC)c1)[C@H]1CCS(=O)(=O)C1 1722360510 IJBVRKJDVWNORM-FQEVSTJZSA-N 481.578 2.307 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCCCS1(=O)=O 1722387555 HQSBHTKAUILMOT-OALUTQOASA-N 475.615 2.390 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@]1(C)COCCO1 1722390480 RHDNEGNUYVBVDC-QHCPKHFHSA-N 455.946 2.130 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(Cl)c1C 1722395711 AXKGFBROQOKORJ-HXUWFJFHSA-N 476.002 2.084 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2CCCN(CC(C)C)C2)CC1 1722432821 FYJCTNZICBJNLL-OZXSUGGESA-N 472.678 2.442 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2ccccc2Cl)CC1 1722448436 UPAWVKLVTWOOKC-IBGZPJMESA-N 454.962 2.091 30 10 JEEE C=C(Br)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1722479574 DWSLUGRDYQCNQN-IBGZPJMESA-N 484.402 2.468 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1722508797 UMTGDBRVCQGJLN-XCJLJZCSSA-N 471.606 2.027 30 10 JEEE C=C(C)COCCn1c(-c2ccc(OC)cc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1722530064 LQFZWEKWXHCSNF-UHFFFAOYSA-N 463.604 2.407 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCN(C)Cc2ccc(F)cc2)CC1 1722566783 YWRSQPIBLRKLFX-OAQYLSRUSA-N 492.621 2.039 30 10 JEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C(=O)N(C)c2ccccc2)C1 1722630162 WUYMHTQYPXBLNZ-VQTJNVASSA-N 487.626 2.262 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2nc(C(F)(F)F)cs2)C1 1722717754 DAZKODOBTMGGOT-OLZOCXBDSA-N 477.534 2.485 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@](C)(C(=O)NC)C1 1722751182 QSIBFXIWNYUDLY-FQEVSTJZSA-N 496.431 2.271 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCn1cc(Br)cn1 1740540289 VBEGSCJKIASVFX-CQSZACIVSA-N 477.388 2.466 30 10 JEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1 1740566648 ITXTWJJNMZVOJE-ILWGZMRPSA-N 470.643 2.260 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1Cc1cccc(C(OC)OC)c1)[C@H]1CCS(=O)(=O)C1 1740625839 IJFITLMTMPKYFK-FQEVSTJZSA-N 460.600 2.443 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1cnn(C)c1 1740686225 UVKSIJPMXVSGSM-IBGZPJMESA-N 457.579 2.260 30 10 JEEE C#CCN1CCN(c2nnc(C(C)(C)C)n2Cc2cccc(NC(=O)[C@@H]3CCCO3)c2)CC1 1740690149 NQLUHMQJPDTSOW-NRFANRHFSA-N 450.587 2.497 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCC(=O)NC)CC1 1740702090 IFNJBFVVUBJCSE-IBGZPJMESA-N 466.586 2.137 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3COc4ccccc4O3)n2C[C@@](C)(O)C(C)C)CC1 1740705353 GBKPTXAUGWLCBK-PXDATVDWSA-N 467.570 2.163 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(=O)c2cccs2)CC1 1740782079 AVANVRJAJZSFIP-QGZVFWFLSA-N 479.628 2.348 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@H]2CCC[C@@H]21 1740953799 RGLPLFYTVTZWLX-PXNSSMCTSA-N 472.615 2.267 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccnc3)n2CCc2ccc(S(N)(=O)=O)cc2)C1 1740975697 DPZTXAJXHYLSDZ-LJQANCHMSA-N 454.556 2.012 30 10 JEEE CC(C)OCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)N2CCOCC2)CC1 1741763957 HZCSATUDIMOYDW-OAQYLSRUSA-N 467.618 2.084 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1748651857 SGJVFCOWYHWEDE-HKUYNNGSSA-N 494.625 2.307 30 10 JEEE C#CCCCCn1c(Cc2csc(C)n2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1748719338 YDZUDQYGOZGRQV-JOCHJYFZSA-N 455.588 2.252 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1CC[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1748810068 RTDPOFSLDDKBHY-QZTJIDSGSA-N 474.583 2.016 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1CCCN1CCCO[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1748820014 XHQHRKGBCZEKSM-ISKFKSNPSA-N 499.681 2.305 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@H](C)N(C)C1CC1)[C@@H]1CCS(=O)(=O)C1 1748823773 BJSFSGCNNIPKDJ-FXAWDEMLSA-N 475.590 2.106 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@]2(N(C)C)CCSC2)CC1 1748978830 PQDGKMIXGRRCHD-FQEVSTJZSA-N 478.464 2.228 30 10 JEEE C#CCSCCn1c(-c2ccccc2F)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1749029269 PUSYFVYOIPIZLI-UHFFFAOYSA-N 490.586 2.091 30 10 JEEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1749038633 VHULKYILWFGBRT-OAQYLSRUSA-N 488.608 2.256 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NCC)CC1 1749120560 FVXVSZCQKQKEAL-GGAORHGYSA-N 463.586 2.056 30 10 JEEE C=CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CCCN1S(C)(=O)=O 1749506783 NQNYAFFPRVWIQC-IXDOHACOSA-N 468.624 2.095 30 10 JEEE COCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1749606011 GJRMBGHWXGFURF-OFVILXPXSA-N 466.586 2.347 30 10 JEEE C=CCOc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CCC[C@@H](CC(N)=O)C2)cc1 1749686268 SFONCEPWEYPZRN-IBGZPJMESA-N 452.559 2.105 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCCN(C(C)=O)C2)C1 1749717538 MECLCTVAQLMKDN-MOPGFXCFSA-N 472.615 2.309 30 10 JEEE Cc1nn(C)c(N2CCN(c3nnc(-c4ccc[nH]4)n3CCNC(=O)OC(C)(C)C)CC2)c1C#N 1751827356 BYAGWRZGWXWIAQ-UHFFFAOYSA-N 480.577 2.038 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@](C)(O)[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1760192225 SCDLMTWYHUTYDM-FHJLPGHOSA-N 478.590 2.420 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1760212575 XQGRNFMKZYMOLC-AREMUKBSSA-N 496.612 2.036 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CCc2ncc(CC)s2)CC1 1760271511 AFAAMIZWIFXNQT-UHFFFAOYSA-N 463.611 2.491 30 10 JEEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1760277737 RXESNCIZGISKQE-UHFFFAOYSA-N 493.641 2.370 30 10 JEEE C#CCSCCn1c(N2CCN(Cc3cnc(C)s3)CC2)nnc1[C@@]1(OCC)CCOC1 1760286399 KFSGMRGGHBUIPO-JOCHJYFZSA-N 476.672 2.384 30 10 JEEE C=C(Br)Cn1c(-c2ccccc2C)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1760304393 SVMIVDMNXRQMKI-UHFFFAOYSA-N 475.391 2.335 30 10 JEEE C=C(C)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC(NS(C)(=O)=O)CC1 1760345734 RHUJPIDZBJYQBP-KRWDZBQOSA-N 482.651 2.487 30 10 JEEE C=CCCCCn1c(-c2cccnc2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1760424812 VJLASIHPRCSUHH-UHFFFAOYSA-N 457.560 2.336 30 10 JEEE C=CCCCCn1c(Nc2cnn([C@H]3CC3(F)F)c2)nnc1[C@H]1CN(S(C)(=O)=O)CCO1 1760430884 XHTDXXAFOFXABU-CVEARBPZSA-N 471.534 2.488 30 10 JEEE C=CCCCn1c(CC2CC2)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1760443375 SQCSMHWNDIJIPL-KURKYZTESA-N 465.620 2.323 30 10 JEEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(N2CCCC2=O)CC1 1760445413 IZBNMAVXINFXAF-UHFFFAOYSA-N 453.547 2.109 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)Cc1cc(F)c(F)c(F)c1 1760530657 SIKVGNHIRIFDQT-LIRRHRJNSA-N 453.465 2.358 30 10 JEEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1760559737 SHBJMJPPNWJXTF-SFHVURJKSA-N 461.636 2.016 30 10 JEEE C[C@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(CS(C)(=O)=O)cc1 1760686922 BTMOAXQKBMGUDS-MRXNPFEDSA-N 467.555 2.114 30 10 JEEE CC(C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@]1(N(C)C)CCSC1 1760932033 HMXYGWYGGHAQNQ-HTAPYJJXSA-N 455.636 2.216 30 10 JEEE CC(C)Oc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(CC#N)CC2)cn1 1761295529 AJPUHPBGUBQUNI-MRXNPFEDSA-N 461.592 2.249 30 10 JEEE Cc1nnsc1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CCC(N)=O)CC1 1761639155 BBCADTJQLZANKY-UHFFFAOYSA-N 466.571 2.419 30 10 JEEE CCO[C@@]1(c2nnc(N(C)Cc3ccc(C#N)cc3)n2CCN2CCOC[C@@H]2C)CCOC1 1767388121 CRVIDULBXYIBCO-CYFREDJKSA-N 454.575 2.159 30 10 JEEE C=CCOc1ccccc1[C@@H]1C(C(=O)NCCCNC=O)=C(N)Oc2c1c(CCC)nn2CC 1864321528 RVHAKCGHNBMBQF-FQEVSTJZSA-N 467.570 2.367 30 10 JEEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)CCCS(=O)(=O)c3ccccc3)CC2)CC1 1890436704 NVQNMSVGBLCHOM-UHFFFAOYSA-N 489.682 2.278 30 10 JEEE CC(C)(C)OC(=O)N[C@H](C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1)[C@@H]1CCCO1 2256677043 UUNYJFQIXSEPIA-JSGCOSHPSA-N 453.370 2.453 30 10 JEEE C[C@@H](O)CN(CCNC(=O)OC(C)(C)C)C(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2257589382 FZTMYBYLZLTRJU-CQSZACIVSA-N 454.398 2.395 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N=[S@@]1(=O)CC[C@H](NC(=O)OC(C)(C)C)C1 2267268802 ZIUSRCNKCLQGDW-BBFFTDKLSA-N 467.397 2.230 30 10 JEEE CC(C)(C)OC(=O)N1CC(CCNS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2267705664 ZYBWKENGBDNUEN-UHFFFAOYSA-N 487.453 2.119 30 10 JEEE C[C@H]1C[C@H](NS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)CN1C(=O)OC(C)(C)C 2267707465 RENVGHNYZCUIQI-KBPBESRZSA-N 487.453 2.260 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@](CO)(C(=O)NCc2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2268680512 LTKZTDIDRQCJPM-QFIPXVFZSA-N 466.409 2.283 30 10 JEEE C[C@@H](NC(=O)C1(CNC(=O)OC(C)(C)C)COC1)c1nscc1B1OC(C)(C)C(C)(C)O1 2268717820 VHSAZGKCPVMKTK-CYBMUJFWSA-N 467.397 2.161 30 10 JEEE N#Cc1ccc(NS(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)c(Br)c1 2270529438 WSFSPJHLOWYASB-INIZCTEOSA-N 482.312 2.442 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C(F)(F)CC1 2281993096 WLIRIIUIVPPLFP-AWEZNQCLSA-N 470.326 2.474 30 10 JEEE CCn1cc(C(=O)N[C@]2(CF)CCN(C(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2282046084 GXHPJGPZFVWWTQ-QFIPXVFZSA-N 466.363 2.281 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CNS(=O)(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)cc3)[C@@H]2C1 2282346313 MUFDEQUKZHSIGP-LDLYASANSA-N 478.420 2.377 30 10 JEEE C[C@@H]1C[C@@H](NC(=O)C(F)(F)F)CN(S(=O)(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2282348070 GXLMDPVEQIIVJZ-ZIAGYGMSSA-N 476.326 2.063 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C2CC2)n1 2282532990 FYNCZJWUSJTYER-FUHWJXTLSA-N 460.384 2.237 30 10 JEEE CCc1nn(C)c(C(=O)NC[C@@H]2C[C@H]2CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2282561179 QOJYAKKTVGCPBD-GJZGRUSLSA-N 462.400 2.172 30 10 JEEE Cn1cc(C(=O)N2CC[C@H](C(C)(C)NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2282579694 IHUADEJRZGEYBP-HNNXBMFYSA-N 462.400 2.485 30 10 JEEE C[C@H]1OC2(CNC(=O)OC(C)(C)C)CC1(NC(=O)c1cc(B3OC(C)(C)C(C)(C)O3)sn1)C2 2282600262 UOCHJZAYPZQFIM-ZOEHTXHGSA-N 479.408 2.387 30 10 JEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@]2(C)CCCCN2C(=O)OC(C)(C)C)n1 2282623298 DMMVEJFIZLBVNG-JOCHJYFZSA-N 463.388 2.024 30 10 JEEE C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CN(C(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CCO1 2282667254 PMVUZQNOFCJJNT-CRAIPNDOSA-N 461.368 2.135 30 10 JEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)N1CCC(=CB2OC(C)(C)C(C)(C)O2)C1 2283964748 QCPZOKCNQHFKMU-QGZVFWFLSA-N 484.424 2.201 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1CC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2284058788 BDNAPKYXYQEQHK-XJKSGUPXSA-N 465.331 2.388 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H](COCc2ccccc2)CC(=O)O)n1 2284473038 PWRXWOIELDQCTI-SFHVURJKSA-N 454.332 2.479 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2285187897 KGEYYWMDXQCNSQ-WMZOPIPTSA-N 464.343 2.111 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@@H]1C 2285203909 DWQOEKNNJCSVQP-ZFWWWQNUSA-N 455.286 2.361 30 10 JEEE CC(C)(C)OC(=O)N1CC(OCCNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2315420400 MVGBTYSIQDVDCK-UHFFFAOYSA-N 452.382 2.413 30 10 JEEE CO[C@H]1[C@H](CNC(=O)[C@@H]2C[C@H]2B2OC(C)(C)C(C)(C)O2)N(C(=O)OC(C)(C)C)C[C@H]1OC 2334261274 KBBOAHXUADLZTA-UUAJXVIYSA-N 454.373 2.234 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CN(c2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)CC[C@H]1CO 2345744161 YEPRXSRCOFWABK-WMLDXEAASA-N 451.348 2.232 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2F)n1C 2362332474 NLFWLLIVMNAAOZ-GJZGRUSLSA-N 466.363 2.105 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)OC)ccc1F 108501312 KEZXSVSBRHQUDM-LJQANCHMSA-N 459.499 2.285 30 10 JEEE COc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2oc(C)c(C(C)=O)c2C#N)cc1OC 170500722 LWEIHUCHMYEJMJ-INIZCTEOSA-N 461.496 2.471 30 10 JEEE CC1(C)OB(c2ccc3c(c2)CCCN3S(=O)(=O)CCN2C(=O)c3ccccc3C2=O)OC1(C)C 712217766 MHSYTQHMGDBGLD-UHFFFAOYSA-N 496.394 2.364 30 10 JEEE CC(=O)c1cc(C(=O)[C@H](C#N)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)n(C)c1 916948301 FJCJDNVECNNMNR-IBGZPJMESA-N 456.524 2.363 30 10 JEEE N#Cc1ccc(N2CCN(C(=O)c3ccc(S(=O)(=O)N4CCCCCC4)cc3)CC2)cn1 1154219941 IBVITYFFCKKONL-UHFFFAOYSA-N 453.568 2.480 30 10 JEEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccccc2N=Nc2ccc(N(C)C)cc2)CC1 1175514963 LQQAGBRTRRUTAJ-UHFFFAOYSA-N 454.556 2.393 30 10 JEEE N#Cc1sccc1N1CCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CC1 1196082994 GESQPPRXZVAXSJ-NRFANRHFSA-N 452.559 2.290 30 10 JEEE CC(C)S(=O)(=O)Nc1ccc(S(=O)(=O)N2CC(Oc3ccc(C#N)cc3)C2)cc1F 1211461398 CFQWZDBNLONUHZ-UHFFFAOYSA-N 453.517 2.299 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H](C)CN1CCOCC1 1286275459 SEWNIKSWNYHDCI-ZWKOTPCHSA-N 458.994 2.288 30 10 JEEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1286317269 QJCDQIBEXFRQMV-IBGZPJMESA-N 470.599 2.192 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](c2ccccc2)C[C@H]1C 1286349947 RDVYKHKSPVCHET-GIVPXCGWSA-N 457.600 2.407 30 10 JEEE C#CCN(C)c1nnc(-c2ccc(F)cc2Br)n1C[C@H]1CC(=O)N(CCOC)C1 1286367806 MJNNCYGFELQUHX-AWEZNQCLSA-N 464.339 2.411 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCC(=O)N1CCCCCC1)[C@@H]1CCS(=O)(=O)C1 1286384548 RLZQIJGVBSMWET-OAQYLSRUSA-N 499.637 2.373 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1286791714 ABSUSARPDHMSJS-UHFFFAOYSA-N 486.580 2.369 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Br)c2)nnc1N1CCNC(=O)[C@H]1CC 1286814681 DRFJGVSFCAQJIV-MRXNPFEDSA-N 482.404 2.023 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](c2cccc(F)c2)C1 1286825349 PXGTXZBPKUATCZ-JBACZVJFSA-N 494.589 2.320 30 10 JEEE C=CCOC[C@@H](NC(=O)CC[C@@H]1NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O)C(=O)OC 1297029388 GNXUYZXSTZJNQC-LSDHHAIUSA-N 458.298 2.059 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2CC2CCS(=O)(=O)CC2)c1 1300332340 CFHALYHGANOSRN-UHFFFAOYSA-N 478.578 2.221 30 10 JEEE C#CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(C(=O)COC)CC1 1300408851 OCJWHUMSNFUZED-IBGZPJMESA-N 474.606 2.101 30 10 JEEE C#CCN(c1nnc(COCC)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1300504411 NIXWFDWSQAJLBS-HSALFYBXSA-N 465.664 2.198 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1([S@](C)=O)CC1 1300676055 KVAIOSUNLASRAL-FROAJHJGSA-N 465.620 2.046 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@H](COC)OC)CC1 1300718454 OYROAZANXMNMRJ-GOSISDBHSA-N 475.977 2.234 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2C[C@H](CCC)OC)CC1 1300719330 WXIQOEXWHXXNJR-IBGZPJMESA-N 453.543 2.455 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2ccc(C=C)cc2)CC1 1300726828 RQGUDVYFGCUQLX-QFIPXVFZSA-N 481.622 2.032 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc(-c2cnccn2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1301350861 BKUNVBXRFFHZFY-QGZVFWFLSA-N 471.562 2.348 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1cc(Cl)ccc1OC 1301585723 NPYFXMLHDBBBFC-MRXNPFEDSA-N 467.979 2.128 30 10 JEEE CC1CCN(CCCn2c(COc3ccc(C#N)cc3)nnc2N(C)CC(=O)N2CCOCC2)CC1 1305103246 GSWXOBGNBBYKNP-UHFFFAOYSA-N 495.628 2.146 30 10 JEEE COCC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)CN2CCCCC2)CC1 1315751512 DOCJJTPOYKTIBA-NRFANRHFSA-N 495.628 2.146 30 10 JEEE COCCN(CCC#N)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1COCCO1 1316101113 HAROTJRJUYLNAA-RTBURBONSA-N 478.594 2.174 30 10 JEEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)C(C)C)CC1 1358930041 MYPLJUWSNJKWCT-LJQANCHMSA-N 474.606 2.305 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC[S@](=O)CC)[C@H]1CCS(=O)(=O)C1 1358957628 XNLNMQPSAHTOTI-PRCJDROHSA-N 499.058 2.467 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1Cc1nccs1)[C@H]1CCS(=O)(=O)C1 1358967525 MCBWLZATJQAFNC-INIZCTEOSA-N 461.544 2.128 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(Br)cn2C)n1CCN/C(O)=C1/N=CC=CC1=O 1358986749 GPFTYUNZYHJFNQ-VZCXRCSSSA-N 496.369 2.035 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 1358991969 VHGFYXJSRBTWGI-QHCPKHFHSA-N 455.566 2.489 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cc(C)ccc2OC(F)F)CC1 1359028188 JZFWHTFJZQEGBL-UHFFFAOYSA-N 458.513 2.227 30 10 JEEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1359052546 IRDKLKNIZLDWTM-UHFFFAOYSA-N 499.637 2.404 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1C[C@H](C)CN1CCN(CC)CC1 1359064904 CHTVAYOJVKHOAR-SDUSCBPUSA-N 458.651 2.196 30 10 JEEE C=C(C)COCCn1c(Cc2ccccc2OC)nnc1N1CCC(N2CCNC2=O)CC1 1359134716 FEOHJYMEMCDOTB-UHFFFAOYSA-N 454.575 2.464 30 10 JEEE C=CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(CCOCC)[C@@H](CC)C1 1359286464 SKGQEHJVRMAQIJ-SFHVURJKSA-N 451.575 2.315 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Br)s2)nnc1N1CCNC(=O)[C@@H]1CC 1359328734 MTLZYOVIXGFWLA-LBPRGKRZSA-N 488.433 2.085 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)C1CCC(NC(C)=O)CC1 1359329331 FZEBCEOVDCWQGC-UHFFFAOYSA-N 489.598 2.158 30 10 JEEE CC(=O)NC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCCC[C@H]2C)CCO1 1359451888 BIKDXFOYWFXISS-YKSBVNFPSA-N 495.628 2.335 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1C[C@](C)(O)c1ccccc1Cl 1360671620 HIJLPWFRJUVJDJ-XOBRGWDASA-N 466.995 2.189 30 10 JEEE C#CCn1ccc(CN(CC)C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1 1459760615 YQIWVRUJICTSIY-FQEVSTJZSA-N 459.528 2.016 30 10 JEEE C#CCn1ccc(CN(CCOC)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)n1 1464898393 CPDVESULCCRREB-UHFFFAOYSA-N 459.572 2.371 30 10 JEEE CC[C@@H](C)[C@@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)C(=O)NCC(C)(C)C#N 1466792115 CCGJGYUIBWYOCX-CXAGYDPISA-N 456.996 2.401 30 10 JEEE CCCC(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2COCCO2)C1 1499924356 HWGLNWCGLPBGCR-PZJWPPBQSA-N 452.559 2.365 30 10 JEEE Cn1cc(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@H](C(=O)NCC(F)(F)F)C2)cn1 1503657072 CHULAMYKGQOXKO-QGZVFWFLSA-N 458.448 2.103 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1507518376 LOJWNDPTJZTIGX-QKLQHJQFSA-N 459.513 2.040 30 10 JEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)CC(=O)Nc1cccc(Cl)c1 1507573470 HYUOLCSZSACBRC-AWEZNQCLSA-N 452.968 2.030 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(Br)o1 1507589443 XBNQJTQIOSKGAN-OAHLLOKOSA-N 486.392 2.016 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1507664438 LLSHLXBUQKAJJS-QGZVFWFLSA-N 476.002 2.352 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1NC(=O)CC1(C)C 1507704285 WIVCXCXGRFGROH-INIZCTEOSA-N 463.380 2.047 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CCc2ccn(C)n2)CC1 1507720054 DLXWGLRUKJVGAD-UHFFFAOYSA-N 463.586 2.472 30 10 JEEE C#CCN1CCN(c2nnc(CSc3ccccc3OC)n2Cc2cc(C)nn2C)CC1 1507733303 SZLZSBCAXSXBTK-UHFFFAOYSA-N 451.600 2.424 30 10 JEEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2cc(OC)c(OC)c(OC)c2CC1 1507823640 AYAVIDSXCACGHQ-HNNXBMFYSA-N 479.603 2.095 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H]2CCC(=O)N2)CC1 1507901609 CDNSNOXFPZISLJ-MSOLQXFVSA-N 460.579 2.268 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C2CC2)C1 1508084250 KJSYUKSKNULOLG-VQTJNVASSA-N 481.601 2.306 30 10 JEEE C=CCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC(S(=O)(=O)CC)CC2)cc1 1508101036 SPSJJDVFEWNEOV-HXUWFJFHSA-N 473.599 2.246 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCS[C@H](C)[C@@H]1C 1508136523 SNOCRMHCLALWOR-JKSUJKDBSA-N 484.669 2.280 30 10 JEEE CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCN(C)C(=O)OC(C)(C)C)CCO1 1508373258 ABUCIBCHPAJZLO-HXUWFJFHSA-N 483.573 2.025 30 10 JEEE CC(C)C[C@H](Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@@](F)(C#N)C1)N(C)C 1509107915 ICNPUYQNMBWCRG-DENIHFKCSA-N 452.542 2.339 30 10 JEEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(NC(=O)[C@H]2CCCO2)c1 1509951263 GECYDKYUBQEEKM-ATZDWAIDSA-N 451.531 2.133 30 10 JEEE CCc1nnc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(C(=O)NC)CC2)s1 1513776258 DHNMDLFQARQBAA-UHFFFAOYSA-N 466.571 2.153 30 10 JEEE CN1CCN(CCn2c(N3CCN(c4cc(C#N)ccn4)CC3)nnc2C(C)(C)C)CC1(C)C 1517420065 AJVRNIUCYRUNEG-UHFFFAOYSA-N 465.650 2.195 30 10 JEEE CNS(=O)(=O)CCn1c(COc2ccc(Br)cc2)nnc1N1CCC[C@](C)(C#N)C1 1517626457 HMXVLZRICBXGCL-LJQANCHMSA-N 497.419 2.299 30 10 JEEE C=CC[C@H](Cc1ccccc1)NC(=O)c1cccc(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 1525236811 ZPMHPCRLAXJORX-JOCHJYFZSA-N 455.580 2.457 30 10 JEEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1539079742 ZGWCOJMOEJHQTC-QGZVFWFLSA-N 463.629 2.477 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CCCC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1539224289 DXTCWDODNUTGJZ-OAQYLSRUSA-N 457.600 2.097 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCOCC(F)F 1539268148 GYWJXDHIHBKHEF-QGZVFWFLSA-N 467.517 2.331 30 10 JEEE C#CCN(CC#C)c1nnc(CSc2ccc(C)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1539278744 KLLYDKGBGQINRI-LJQANCHMSA-N 457.625 2.376 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2cccc(C(F)(F)F)n2)CC1 1539470048 XNQLDUAQHILPLG-MRXNPFEDSA-N 494.518 2.430 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2C[C@H](C(C)C)N2CCOCC2)CC1 1539484605 WJXMBKOGYRTMOH-JOCHJYFZSA-N 484.670 2.253 30 10 JEEE C#CCSCCn1c(N2CCO[C@@H](Cn3cc(C)cn3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1539530605 JYJPRDAPBFALEC-NFBKMPQASA-N 474.631 2.095 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccccc2F)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1539637361 PNUJBMJOXYCKLX-LRXVAGHRSA-N 477.606 2.459 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Oc1ccc(Cl)cc1 1540072734 MVLXKAWVWGQKBA-QAPCUYQASA-N 469.995 2.354 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@@H](C(=O)OC)C1 1540865516 JNANQWWJSIXNSA-OAHLLOKOSA-N 462.348 2.399 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C)C1 1540881132 ZDTNBTLODUVLLE-WIYYLYMNSA-N 475.615 2.460 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CCNC(=O)c2cccc(OC)c2)C1 1540890693 IOROFDJEKQXHDO-TZIWHRDSSA-N 455.559 2.392 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1540905458 WLXBOCVXFATGGN-UHFFFAOYSA-N 498.609 2.037 30 10 JEEE CCNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCC[C@@H]2C)CC1 1547776009 AAESFXVUHPCMLE-IBGZPJMESA-N 466.590 2.065 30 10 JEEE CNC(=O)[C@@H]1CN(C(=O)CCOC)CC12CCN(c1ccc(C#N)c(C(F)(F)F)c1)CC2 1548375704 VAENWZIETPRVDO-SFHVURJKSA-N 452.477 2.405 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1587631756 FWUKEOCTUVHJCB-GBESFXJTSA-N 494.662 2.132 30 10 JEEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1ccc(-c2nc[nH]n2)cc1)[C@@H]1CCS(=O)(=O)C1 1588028925 ARFFXYKUTQXGOJ-QFBILLFUSA-N 453.572 2.252 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 1588029756 LPXBVHUHMNPIHG-SFHVURJKSA-N 484.969 2.254 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCc1csc(C)n1)[C@H]1CCS(=O)(=O)C1 1588040942 SNDOXTLTIKCNRY-FQEVSTJZSA-N 466.592 2.451 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccccn2)n1CCN1CCN(C(C)=O)CC1 1588550778 XSLYWSIVWCEASP-UHFFFAOYSA-N 475.572 2.207 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CC(C)(C)COC)CC1 1588762866 OJZLUGXLQIBHRX-UHFFFAOYSA-N 457.575 2.399 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2Cc2ccccc2N2CCOCC2)CC1 1588884589 GGJYIJCZNSVFLH-UHFFFAOYSA-N 450.587 2.252 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@](C)(O)c2ccccc2)CC1 1588930349 TYEPMHHBFUGINK-SQJMNOBHSA-N 451.571 2.393 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1589528496 GWTDXXMQSVDPPH-IEBWSBKVSA-N 456.595 2.290 30 10 JEEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1593696342 NTGVCETUPXPUTD-HSZRJFAPSA-N 466.546 2.004 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)C(F)(F)F 1595219495 VCHKBPBLGCGYAB-AWEZNQCLSA-N 451.515 2.378 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC(C(=O)NCCOC)CC1 1595490687 XDPNVWJTDYMLFW-UHFFFAOYSA-N 491.596 2.083 30 10 JEEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(CCC(C)(C)C)CC1 1595537021 LQYVIOUFQJVYLM-UHFFFAOYSA-N 478.601 2.454 30 10 JEEE C=CCNC(=O)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1595561875 FRBHUBPNBLATNH-SFHVURJKSA-N 470.599 2.056 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](c2cccs2)N(C)C)C1 1595722456 KHJNDDMIFTYHDC-KZNAEPCWSA-N 465.645 2.326 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCN(CCN2[C@@H](C)CC[C@H]2C)CC1 1595772963 KSXLKTWFGNIDOW-BGYRXZFFSA-N 490.674 2.442 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)Cc1ccoc1 1595789287 QKELWDAYJDUTKF-UHFFFAOYSA-N 468.539 2.022 30 10 JEEE C[C@@H]1C[C@@H](CCn2c(-c3cccc(C#N)c3)nnc2N(C)CC(=O)N2CCOCC2)CCO1 1612679716 FRGSWDRWWMEKHW-MOPGFXCFSA-N 452.559 2.317 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccnc(OCC(F)(F)F)c1 1689851562 SIYPEXJXGAKKCE-ZFWWWQNUSA-N 457.478 2.023 30 10 JEEE C#CCCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1689878695 RWHLIQIUDLYLHO-GOSISDBHSA-N 496.568 2.247 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@](C)(O)c1cccs1)[C@@H]1CCS(=O)(=O)C1 1689984455 PRJJXKUGEBWNFZ-AUSIDOKSSA-N 481.603 2.413 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1cc(C(F)(F)F)ccn1 1690033143 RGHQKUBMEUGVAB-OAHLLOKOSA-N 468.505 2.008 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCS(=O)(=O)NC 1690034658 OJGRPWNTNHZHEB-UHFFFAOYSA-N 468.608 2.389 30 10 JEEE C#CCN(CC#CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC(=O)NCCC 1690047605 VEESOAGXZIDSGY-UHFFFAOYSA-N 456.591 2.382 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H](C)N2CCC(C)CC2)CC1 1690132461 RCUMPPUQLWVDQC-FQEVSTJZSA-N 469.659 2.145 30 10 JEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)c1c(C)noc1C)C1CC1 1690545539 TXYOSMSUBGYODH-RDTXWAMCSA-N 464.592 2.174 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCCS1(=O)=O 1690565959 YSRLXBKXRHTFSV-WOJBJXKFSA-N 478.640 2.340 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1-n1cccn1 1690622646 UNOOXYYKAWYGIN-LJQANCHMSA-N 456.572 2.053 30 10 JEEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(C(=O)N(CC)CC)CC1 1690668230 XMXMOUWSGXDJQS-UHFFFAOYSA-N 478.601 2.323 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(F)c(C(F)(F)F)c1 1690669723 MZNGAZWYPVCBFV-OAHLLOKOSA-N 454.428 2.326 30 10 JEEE CC(=O)NCC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCN2CCCO)CC1 1690947392 AKEPZVDDJKTHHJ-HSZRJFAPSA-N 465.602 2.016 30 10 JEEE C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)c1cccc(F)c1 1692660500 AQRPXHCYMONHNR-VQIMIIECSA-N 478.594 2.466 30 10 JEEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1705499940 CGWWJBTZSJSKOW-DLBZAZTESA-N 479.614 2.228 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2ccccc2F)n1CCC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1705561219 RGYZRJYIVKGARE-SJORKVTESA-N 464.563 2.345 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(OC)cc(OC)c2)n1CC1CCS(=O)(=O)CC1 1705591908 LFNMHJJTDVNAQV-UHFFFAOYSA-N 456.568 2.250 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1([S@@](C)=O)CC1 1705603667 SPALFWGCIBGSDT-HMJJTBFXSA-N 459.616 2.423 30 10 JEEE C#CCN(CCOC)c1nnc([C@]2(OC(C)C)CCOC2)n1CC(F)(F)Br 1705622524 KLSADFGEYGHQPE-INIZCTEOSA-N 451.312 2.392 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2cccnc2OCCC)CC1 1705642248 MPNGOHXMXDLFCC-UHFFFAOYSA-N 479.610 2.257 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](CC)Oc2cccc(F)c2)CC1 1705643658 OESGOUJWSNUEFB-NRFANRHFSA-N 496.587 2.477 30 10 JEEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](Cn2cccn2)C1 1705725486 DKXYETZAFLZWBL-MOPGFXCFSA-N 473.578 2.265 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)c(OC)c1 1705876289 TZJFUFSWQYWUKU-HXUWFJFHSA-N 461.588 2.155 30 10 JEEE CCC[C@@H](C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCC2(CC1)COC(=O)N2 1709459829 DWTHVTVJDZUHBD-QGZVFWFLSA-N 465.558 2.448 30 10 JEEE CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(OCCN2CCCC2)CC1 1709839998 DZQDMTAUUVKBHK-UHFFFAOYSA-N 465.602 2.424 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1(OC)CCCC1)[C@@H]1CCS(=O)(=O)C1 1722360321 SWBDUKYJASQFNM-LJQANCHMSA-N 473.555 2.439 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1CCC[C@H]1OC)[C@@H]1CCS(=O)(=O)C1 1722360627 VNWFCEQITYAPRZ-LRXVAGHRSA-N 488.610 2.404 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@H](c1ccc(F)cc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1722364266 FKBAZFRRSITMKC-DHIUTWEWSA-N 496.612 2.333 30 10 JEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCc1csc(C)n1 1722379264 NERWCGJQFWUWDI-UHFFFAOYSA-N 453.597 2.319 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H](C1CC1)N(C)C 1722395105 QGKWONHIVKMRBN-FQEVSTJZSA-N 467.643 2.350 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccnc1OCC(F)(F)F 1722395994 FFKGCCZKJUICMY-QGZVFWFLSA-N 481.500 2.028 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCNC(=O)OC(C)(C)C)CC1 1722433652 DEKHAQMCIIWHDB-UHFFFAOYSA-N 470.574 2.242 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCCOc2ccccc2C)CC1 1722446477 XPYWGCACIQCZDB-UHFFFAOYSA-N 459.554 2.478 30 10 JEEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1 1722598957 DFVARYXVRJIONW-KKSFZXQISA-N 451.568 2.482 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(C)noc1C 1722659030 PBOGSHXKGXUPQD-OAQYLSRUSA-N 486.598 2.457 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N(C)C1CCC2(CC1)OCCO2 1722693572 SXOZKIWUEMDXRH-UHFFFAOYSA-N 471.558 2.386 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN(c2ccc(C)cc2)C(=O)C1 1722701037 DAUKCIMDGPFPAE-UHFFFAOYSA-N 450.568 2.394 30 10 JEEE CC[C@@H](C)N(C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1727078530 FPVRJKGZEVTSAX-XLIONFOSSA-N 468.581 2.297 30 10 JEEE CCO[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2Cc2ccc(C[S@](C)=O)cc2)CCOC1 1728794105 FSBWUXQHTODVKO-MUQQHEDISA-N 461.563 2.299 30 10 JEEE CNC(=O)[C@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)N(C)C2CC2)C1 1729647706 GHUFKVDBFFLPSS-BXKMTCNYSA-N 451.575 2.174 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CC[C@@H](C)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 1740625524 OJKSDUSZPNJQJJ-IRLDBZIGSA-N 470.643 2.155 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@]1(N(C)C)CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1740627756 SEVBRCUVFZIYHF-YOEKFXIASA-N 477.675 2.309 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCC(=O)NC(C)C 1740645609 JMLQDMDJXXCPRY-UHFFFAOYSA-N 454.962 2.239 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2Cc2cc(C)nn2C)CC1 1740694752 SNTHBKHTNIHJEK-FQEVSTJZSA-N 482.633 2.238 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H](CC)OC)CC1 1740703269 LYOJRBOZFPCKEE-LJQANCHMSA-N 455.559 2.353 30 10 JEEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@H](C(=O)NCCC)C1 1740713876 SUHQEXGSHLHDCY-IBGZPJMESA-N 479.614 2.030 30 10 JEEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1C[C@@H](C(=O)OC)[C@H](CNC(=O)OC(C)(C)C)C1 1740715923 QFFFQXWPXYJXTP-IAGOWNOFSA-N 488.614 2.390 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC(S(=O)(=O)CC)CC2)nnc1[C@@]1(OCC)CCOC1 1740767574 PQKKZZBCURTUKB-QMHWCDLVSA-N 482.647 2.315 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)CN2CCCCC2)CC1 1740839043 FPJCAUYMUVKZRD-PZJWPPBQSA-N 480.679 2.135 30 10 JEEE C=CCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1740871138 RMGZSVGSVOOOKG-QFIPXVFZSA-N 480.613 2.294 30 10 JEEE C=CCN(c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@]1(OC)CCOC1)C1CC1 1740908113 LMVONATVJKKZSD-JOCHJYFZSA-N 461.588 2.156 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(C)n(C)c1=O 1740914788 ZKNWDLDFDMXCSG-OAQYLSRUSA-N 462.554 2.486 30 10 JEEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCc2nn(C)c(=O)cc2C1 1740947040 OLJCLSAIQGJXIP-UHFFFAOYSA-N 455.563 2.235 30 10 JEEE C[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N(C)C[C@H]1CCCOC1)N1CCOCC1 1741862050 BWDXGFOZCONPNO-PZJWPPBQSA-N 454.575 2.312 30 10 JEEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1CC1(N(C)C)CCC1 1741887351 BPVYSYCTWOQBCN-QGZVFWFLSA-N 460.604 2.082 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@](C)(O)c1ccc(F)cc1 1741918776 DANULIUUYHBLQX-VFNWGFHPSA-N 464.567 2.065 30 10 JEEE CC1(C)CN(CCn2c(-c3cccc(OC(F)F)c3)nnc2N2CCO[C@H](C#N)C2)CCO1 1742006725 DFNFDZIKOXWSSN-GOSISDBHSA-N 462.501 2.386 30 10 JEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)c1nccs1 1748717632 DYZGICODCRENIE-SJORKVTESA-N 466.633 2.111 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1C[C@@](C)(O)C(C)C)[C@H]1CCS(=O)(=O)C1 1748804533 ISNMSYZHAFTCNU-OXJNMPFZSA-N 498.447 2.080 30 10 JEEE C#CCN(c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H](C)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1748811395 GCISYFROMSQPFD-REWPJTCUSA-N 495.653 2.488 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1CC1(N(C)C)CCCC1)[C@@H]1CCS(=O)(=O)C1 1748819641 QXNNBOCGLPDIBA-LJQANCHMSA-N 461.657 2.432 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1oc2ccc(F)cc2c1C 1748929753 OZZCSWKUCGWDSA-HXUWFJFHSA-N 475.546 2.313 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCC(=O)NC2CCCCC2)CC1 1749010374 QYEHEWOPLFTECS-NRFANRHFSA-N 470.618 2.325 30 10 JEEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1749024696 YRNUZRLAAYUUEU-FQEVSTJZSA-N 498.609 2.095 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2OC)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1749123116 AXXFFINRIPHGMJ-UEXGIBASSA-N 475.615 2.405 30 10 JEEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1749234896 KTIADWZKJGPMGW-OALUTQOASA-N 474.631 2.019 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@]2(N(C)C)CCC[C@H](C)C2)C1 1749696954 FXGSQMLEDMAMGW-VWNVYAMZSA-N 468.668 2.180 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(CC)s2)C1 1749713790 YQHKBKAIPAGUAT-APWZRJJASA-N 481.644 2.065 30 10 JEEE C=CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCC(NS(C)(=O)=O)CC1 1749745784 HTJXFIXRUSHOGP-UHFFFAOYSA-N 451.618 2.391 30 10 JEEE C=CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC(=O)N(C)C[C@H]1C 1749756180 UKGTZICPVREURQ-IAGOWNOFSA-N 480.635 2.173 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(Cc2ccncc2)n1C[C@H]1CCS(=O)(=O)C1 1749808374 BLYOXHVUVRXSEQ-JOCHJYFZSA-N 480.594 2.223 30 10 JEEE CC1(C)CCC[C@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(OCC(N)=O)CC1 1751286940 HGKGGGZWTLQLSN-DEOSSOPVSA-N 452.559 2.229 30 10 JEEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(N(C)C(C)=O)CC1 1760133214 XNGZPKNFBCHVPO-UHFFFAOYSA-N 486.642 2.446 30 10 JEEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1CCN(CC(F)(F)F)C1 1760175927 VHSVYNMDFFPICE-KRWDZBQOSA-N 462.524 2.406 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(=O)NCCC 1760218556 JETVYUZAVBVXCR-LJQANCHMSA-N 456.591 2.382 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCCN(C(C)=O)C1 1760243820 GOOMAIIJXHZRKJ-INIZCTEOSA-N 463.380 2.380 30 10 JEEE C=C(Br)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C)C(=O)[C@H]1C 1760308638 MXCFYEJSVBZMBR-CABCVRRESA-N 499.410 2.162 30 10 JEEE C=C(Br)Cn1c(N2C[C@H](C)[C@H](N3CCOCC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1760314046 IFHQVVMJAJLNPI-CDXJDZJCSA-N 484.439 2.384 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 1760521317 PSHCVEJVJWLIQQ-OLZOCXBDSA-N 483.520 2.391 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1760551936 XDALNSDZFBLQJR-FIKGOQFSSA-N 450.561 2.220 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCN(c2ccccc2)CC1 1760556624 KITVMJFGGBVBOQ-UHFFFAOYSA-N 452.584 2.191 30 10 JEEE CC(C)(C)[S@](=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1760804593 HOBLPQKZFPGMSZ-JGCGQSQUSA-N 452.588 2.414 30 10 JEEE CCOc1ccc(O[C@@H](C)c2nnc(N3CCO[C@H](C#N)C3)n2CC2(S(C)(=O)=O)CC2)cc1 1766032975 CFNUAFNEBHJQNH-QFBILLFUSA-N 475.571 2.123 30 10 JEEE COCc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1769353826 FSINMHUCQYVKSX-UHFFFAOYSA-N 474.569 2.204 30 10 JEEE C=CCN(CC=C)C(=O)NS(=O)(=O)c1ccc(CNC(=O)COc2cccc(OC)c2)cc1 1858656200 FVKVHWWSYGPQHN-UHFFFAOYSA-N 473.551 2.463 30 10 JEEE Nc1cccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(S(N)(=O)=O)cc3)[C@@H]2c2cccc(O)c2)c1 1862555475 WINCHNLJZBBMQJ-JOCHJYFZSA-N 493.541 2.443 30 10 JEEE COc1ccc([C@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2CCNC(C)=O)cc1 1862569396 LVUBWTNTJVJDIZ-NRFANRHFSA-N 454.479 2.427 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(O)cc2)cc1OC 1862572113 WOYZQXNBPAURST-QFIPXVFZSA-N 468.506 2.320 30 10 JEEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccc(N(C)C)cc1 1862608483 PAJNJBGALLYZNC-QFIPXVFZSA-N 465.506 2.238 30 10 JEEE C=CCOc1ccccc1[C@H]1C(C(=O)N(CCN)C(C)=O)=C(N)Oc2c1c(C)nn2CCC 1865224589 PXWNEOAMDBTTBK-HXUWFJFHSA-N 453.543 2.195 30 10 JEEE COc1ccc(CC(=O)Nc2c(C#N)nnn2Cc2cc([N+](=O)[O-])cc3c2OCOC3)cc1 1870112785 XBUPDTZOPVDIKU-UHFFFAOYSA-N 450.411 2.163 30 10 JEEE C#CCOc1cn(CCCN2CCCC2=O)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870558955 OXSHVZUWOSHNNW-UHFFFAOYSA-N 478.593 2.204 30 10 JEEE Cc1ccc(C)c(S(=O)(=O)NCc2ccc(C(=O)N(C)C3CN(c4nccnc4C#N)C3)cc2)c1 1891818294 WOJXAAJLLGOTQG-UHFFFAOYSA-N 490.589 2.404 30 10 JEEE N#C[C@H](C(=O)CCNC(=O)C=Cc1ccco1)c1nnc(N2CCOCC2)n1-c1ccccc1 2040892067 RDHZZNNVQUJAQY-HXUWFJFHSA-N 460.494 2.093 30 10 JEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](C(=O)Nc2ccc(C#N)cc2Br)C1 2197772609 HVFJMLVUOLDIIP-AWEZNQCLSA-N 458.334 2.293 30 10 JEEE C#CCC[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 2230862887 QVHFDHUWDUOOKQ-BCYZHJNNSA-N 465.591 2.273 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1sccc1B1OC(C)(C)C(C)(C)O1 2256626811 OFKDSDQPERYKIX-HIFRSBDPSA-N 452.382 2.034 30 10 JEEE Cc1cc(CNC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)O)sc1B1OC(C)(C)C(C)(C)O1 2256626867 OWQONERSJMXTAR-UKRRQHHQSA-N 454.398 2.246 30 10 JEEE CN(C[C@H](O)CNC(=O)OC(C)(C)C)C(=O)c1cccc(F)c1B1OC(C)(C)C(C)(C)O1 2266987535 BJPJDUBMDRMSJN-CQSZACIVSA-N 452.332 2.083 30 10 JEEE Cc1csc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H](O)C2)c1B1OC(C)(C)C(C)(C)O1 2267159244 HWTHWMUTWQWENB-OAHLLOKOSA-N 466.409 2.410 30 10 JEEE C[C@H](CCN(C)C(=O)OC(C)(C)C)N(C)C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2267183715 HYWZLXDJSSAFFF-OAHLLOKOSA-N 450.389 2.437 30 10 JEEE CCc1nn(C)c(C(=O)NC[C@@H](C)N(C)C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267509591 YCWSMGPWBHTMBP-CQSZACIVSA-N 450.389 2.267 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@H]2C[C@H]1C[C@H]2C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2268709261 AHBYAPZIDZTUMC-RQJABVFESA-N 464.397 2.137 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@@](Oc2nccc(B3OC(C)(C)C(C)(C)O3)c2F)(C(N)=O)C1 2280703777 AUTHFEZTMHCPSI-QFIPXVFZSA-N 465.331 2.154 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@]2(CCNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2281985686 LJKUNPIIPNQZIG-NPMXOYFQSA-N 460.384 2.476 30 10 JEEE Cc1nn(C)c(C(=O)N(C)C[C@@H]2CCCN2C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2281990588 OXSGTGSRQOECIM-INIZCTEOSA-N 462.400 2.499 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC[C@H]1CN(C)C(=O)OC(C)(C)C 2282004955 NAEYCKRLQZRQHW-INIZCTEOSA-N 462.400 2.499 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@]12CCN(C(=O)OC(C)(C)C)C[C@H]1C2 2282011747 MHYIPVDHEVYDFB-CMJOXMDJSA-N 460.384 2.157 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C1 2282051967 KRVWUWWTGAFHQL-JKSUJKDBSA-N 460.384 2.109 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCCC2(O)CN(C(=O)OC(C)(C)C)C2)c1 2282112658 GETQFNBRVCOEPM-UHFFFAOYSA-N 460.380 2.396 30 10 JEEE C[C@H]1CCCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)[C@H]1CNC(=O)OC(C)(C)C 2282533415 KZMICJJFHYEPOM-RDJZCZTQSA-N 462.400 2.485 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](CNC(=O)c2occc2B2OC(C)(C)C(C)(C)O2)OCC12CC2 2282537846 WYNIIFIBOCYTMC-OAHLLOKOSA-N 462.352 2.477 30 10 JEEE Cc1nn(C)c(C(=O)NC[C@@H]2C[C@H](C)N(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2282585867 RAMKDJJAFAAMFG-HOCLYGCPSA-N 462.400 2.403 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)n1 2282595738 YFYCIRMHCOOUQB-DOTOQJQBSA-N 460.384 2.284 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](C2CN(C(=O)c3ncc(B4OC(C)(C)C(C)(C)O4)cn3)C2)C1 2282611782 ALOVHPPMPDDEFF-HNNXBMFYSA-N 458.368 2.105 30 10 JEEE Cn1nc(C(=O)N2C[C@H]3[C@@H](NC(=O)OC(C)(C)C)CC[C@H]3C2)cc1B1OC(C)(C)C(C)(C)O1 2282626938 FMRRUSMQXQITMB-XHSDSOJGSA-N 460.384 2.095 30 10 JEEE CC1(C)OB(c2c[nH]c(C(=O)N[C@@H]3CN(Cc4ccccc4)[C@@]4(CCOC4)C3)c2)OC1(C)C 2282642048 ICYVIXNKJIQUHZ-CPJSRVTESA-N 451.376 2.477 30 10 JEEE CN(C[C@@H]1CCCN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1)C(=O)OC(C)(C)C 2283067887 GZCJKGZNBQRQJF-INIZCTEOSA-N 460.384 2.495 30 10 JEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@]1(C(=O)O)CCN(Cc2ccccc2)C1 2284433083 HTDWZZHWSFPUGC-XMMPIXPASA-N 454.332 2.346 30 10 JEEE CC(=O)NCc1nnc(SCC(=O)Nc2nccs2)n1N=Cc1ccc(N(C)C)cc1 2330749778 FJGSTCICUPDCBD-UHFFFAOYSA-N 458.573 2.050 30 10 JEEE CC#CCN(CC(=O)N1CCC(C2(O)CN(C(=O)OC(C)(C)C)C2)CC1)C(=O)OC(C)(C)C 2337800242 ZABWFVZXKKLRAR-UHFFFAOYSA-N 465.591 2.467 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@H]2C[C@](C(=O)O)(N3CCN(Cc4ccccc4)[C@@H](C#N)C3)C[C@H]21 2373495583 MSAJZBNFNRRADQ-UWHHFBIGSA-N 470.570 2.318 30 10 JEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)[C@@]23CCC(=O)N2c2ccccc2S3)CC1 14700808 GKJDOCYDXCMMAP-QFIPXVFZSA-N 468.560 2.020 30 10 JEEE CCOc1ccc(/C=N/Nc2nnc(SCC(=O)Nc3ccc4c(c3)OCCO4)n2N)cc1 20527996 GMTJYPZTZGEFAU-FSJBWODESA-N 469.527 2.339 30 10 JEEE COC(=O)c1[nH]c(C)c(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(C)o2)c1C 102541923 ZUWRZGHOROUGHD-HUZQBFDWSA-N 471.510 2.073 30 10 JEEE COC1(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CCN(C(=O)OC(C)(C)C)CC1 1138107968 GRVMQXYQAWOEKX-HZPDHXFCSA-N 452.552 2.278 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2CCOc2ncccc2F)c1 1286308489 ADOAMDOBOPEHRK-UHFFFAOYSA-N 472.484 2.404 30 10 JEEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2nc(CC)ns2)CC1 1286339349 VFUYRBMOYMYEGQ-UHFFFAOYSA-N 451.560 2.079 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)c(Br)c1 1286430484 HVOXBIQFOUFCBS-QGZVFWFLSA-N 491.411 2.463 30 10 JEEE C#CCN(CCOC)c1nnc(Cc2c(F)cccc2F)n1C[C@H]1CCCCS1(=O)=O 1286467135 RHCPUWLVFLCHDJ-MRXNPFEDSA-N 452.527 2.200 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2Cc2ccc(OC)nc2OC)CC1 1286474391 IQSLLUJDCOUHNO-UHFFFAOYSA-N 478.553 2.178 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC[C@@H](S(=O)(=O)N(C)CCOC)C2)nnc1C(C)(C)C 1286561656 FVOSVQOTVHGBSL-AQNXPRMDSA-N 483.679 2.434 30 10 JEEE C=C(C)COCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1286600630 CKDKACVOLBJOLA-UYAOXDASSA-N 452.559 2.455 30 10 JEEE C=C(C)COCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@@H](CC(N)=O)C1 1286611513 LUFQNVMPEZRKHI-IBGZPJMESA-N 468.606 2.137 30 10 JEEE C=CC1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2C[C@](C)(O)CCOC)CC1 1286660917 UVOWXTDHGAQIPT-XMMPIXPASA-N 452.559 2.382 30 10 JEEE C=CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H]1CCCCS1(=O)=O 1286722727 RCNZXHICSZQYGL-MRXNPFEDSA-N 456.572 2.264 30 10 JEEE C=CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1286769967 HXTDHSRCPSPHFL-FUHWJXTLSA-N 489.646 2.100 30 10 JEEE Cc1ccc(CN(C)c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)s1 1289636912 HQAPOYOXWCVQLJ-NRFANRHFSA-N 457.581 2.373 30 10 JEEE CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@@H](c2ccc(OC)cc2)N2CCOCC2)c1 1290393120 RAJJGETZXSZKAS-QHCPKHFHSA-N 456.564 2.296 30 10 JEEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1Cc1cccc(OCC(N)=O)c1 1300438691 SBUACXYJZOFYFZ-UHFFFAOYSA-N 457.332 2.028 30 10 JEEE C#CCN(c1nnc(C2CC2)n1CCCCNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1300493834 WHIWTTGITWPFML-QGZVFWFLSA-N 451.593 2.087 30 10 JEEE C#CCN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H](N1CCOCC1)C(F)(F)F 1300602405 DEHHOQRCGUNCIX-PXNSSMCTSA-N 459.513 2.041 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCNC(=O)OC(C)(C)C)CC1 1300689153 QHHZJFDZIQFISF-UHFFFAOYSA-N 455.519 2.133 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2CC2CCS(=O)(=O)CC2)CC1 1300718571 ACBNZSWOXBQFSU-UHFFFAOYSA-N 469.611 2.044 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2CCCCN2CCC[C@@H]2CO)CC1 1300722847 MKZWIUPXNSRCBW-JOCHJYFZSA-N 456.635 2.138 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1300881318 NSIHDJYTDFCPPM-GHTZIAJQSA-N 474.631 2.490 30 10 JEEE C=CCOc1ccc(Cn2c(-c3cccn3C)nnc2N2CCO[C@H](CNC(C)=O)C2)cc1 1301518989 OERGICAHHJUBLC-OAQYLSRUSA-N 450.543 2.238 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@](C)(C(=O)NC)C1 1301569249 UJBKTUOSSVIZCA-AOMKIAJQSA-N 479.578 2.120 30 10 JEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(CC(F)(F)F)CC1 1301611878 HSLSUMJIHXBWNR-OAHLLOKOSA-N 467.583 2.174 30 10 JEEE CCS(=O)(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CCC2)CC1 1314504110 ABBBBFGRFUNCBX-UHFFFAOYSA-N 491.639 2.188 30 10 JEEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1314529978 FXMJGKCWBWMLQB-UHFFFAOYSA-N 487.655 2.255 30 10 JEEE CN(Cc1cccc(C#N)c1)c1nnc(-c2ccccn2)n1C[C@H]1CCCN1S(C)(=O)=O 1314739584 DHIMWWIULBFBCB-LJQANCHMSA-N 451.556 2.272 30 10 JEEE COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1CC1(N2CCSCC2)CCCC1 1316097656 GJLAAAILIJVWMU-UHFFFAOYSA-N 475.663 2.242 30 10 JEEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)CC1=O 1316126274 DALCMABEYOBVQA-GOSISDBHSA-N 497.600 2.367 30 10 JEEE CSC[C@H]1CCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCS(=O)(=O)C1 1316440736 CFHKFDRHRJYZEV-QZTJIDSGSA-N 461.613 2.495 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1OCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1358958296 KZGXXKWTBYSFFX-MOPGFXCFSA-N 473.555 2.295 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H](C)CN1CCOCC1 1358989959 VSWUIIYPBNHGNF-FQEVSTJZSA-N 451.571 2.394 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(F)cc2Br)n1C[C@H]1CCC(=O)N1 1359021658 WKQTYSKXFCCBDM-CQSZACIVSA-N 450.312 2.211 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCC2CCN(CC)CC2)CC1 1359046647 AKKUKHRLKMFTRY-UHFFFAOYSA-N 480.661 2.228 30 10 JEEE C=C(Br)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCO[C@H](CNC(C)=O)C1 1359084197 AAXPCWKENGESJH-QAPCUYQASA-N 478.347 2.041 30 10 JEEE C=C(C)COCCn1c(N2CCN(C(=O)N3CCCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1359137354 NCYOSKTYPSLSBO-XMMPIXPASA-N 476.622 2.249 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@]2(OCC)CCOC2)n1C[C@@]1(C)CN(C)C1=O 1359255958 PKDOOJGXTASTQY-RPBOFIJWSA-N 464.570 2.473 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(OC)nc2ccccc12 1359281732 IEKGGEPZVOTNGW-KRWDZBQOSA-N 471.583 2.424 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(COc3ccccc3OC)n2C[C@H]2CCCS(=O)(=O)C2)C1 1359325622 JFGBYPOWORGSSX-MOPGFXCFSA-N 476.599 2.472 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1359332192 RHLPFENZDZDHPO-IAGOWNOFSA-N 450.565 2.196 30 10 JEEE C=CCSCCn1c(-c2cccnc2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1359340180 DUGCFWFWPYFOJM-LJQANCHMSA-N 455.632 2.392 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@H](c1cccc(F)c1)N(C)C 1360677756 GTDZSUPVAXAYFV-OXJNMPFZSA-N 477.610 2.460 30 10 JEEE C#CC[C@@]1(C(=O)N(C)C[C@H](O)CN(C)C(=O)OC(C)(C)C)CCCN1C(=O)OC(C)(C)C 1454444714 SZIKYCFCDNCNLX-SBUREZEXSA-N 453.580 2.466 30 10 JEEE COc1cc(OC)cc(N2CC[C@H](NC(=O)N3CCO[C@H](c4cccc(C#N)c4)C3)C2=O)c1 1469235390 FLHYNAJMRNTAKD-VXKWHMMOSA-N 450.495 2.464 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C(=O)N(CC)CC)cc1 1507538608 NYSIKNXRQXOVOO-FXAWDEMLSA-N 457.600 2.168 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1CCc1ccc(C)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1507629767 PSNYSJKGXHFPAS-HXUWFJFHSA-N 467.595 2.470 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCCCS1)[C@H]1CCS(=O)(=O)C1 1507638790 GQOVGANNNPXBHE-OALUTQOASA-N 462.645 2.052 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCOC[C@@H]1OC 1507702266 HRAIUXMMWQLJQY-FPOVZHCZSA-N 455.534 2.231 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(N(C)C)CCCC1 1507707145 SPZQJADRQRLXPK-UHFFFAOYSA-N 459.616 2.309 30 10 JEEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(Cc2cscn2)CC1 1507753398 MSMUFMKBJJLFGK-UHFFFAOYSA-N 487.680 2.415 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)N1CCC[C@H](C)C1 1508018245 BDCGHNLUKQUODT-VQTJNVASSA-N 480.679 2.300 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCN(C)C(C)(C)C1 1508032756 HIBDRPNTWUFGJZ-HXUWFJFHSA-N 490.674 2.034 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1508093821 KFDZGBPLWBGVCB-PKOBYXMFSA-N 473.599 2.265 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@](C)(C(N)=O)C1 1508133039 BZSCLAUYNLSYAA-FQEVSTJZSA-N 496.431 2.319 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1508135644 KICPKIWHPCIYOF-GOSISDBHSA-N 489.623 2.108 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CC[C@](O)(c2ccc(C)cc2)C1 1508144628 QXUJBCRMRDILAW-XMMPIXPASA-N 467.595 2.271 30 10 JEEE C=CCSCCn1c(CN2CCCC2=O)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1508164496 JBGOJZPIRHKGDQ-GOSISDBHSA-N 456.620 2.215 30 10 JEEE C#Cc1cccc(N(CC)C(=O)c2ccc(F)c(S(=O)(=O)N3CCN(C(C)=O)CC3)c2)c1 1530148825 CWYJLXSOKJTMBP-UHFFFAOYSA-N 457.527 2.327 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CCN(CC(F)(F)F)C1 1539315173 GGJFHQRHWALWBF-MRXNPFEDSA-N 462.476 2.353 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1Cc1cccc(C(=O)NCC)c1 1539315403 LMOKPKZBGIIQIF-UHFFFAOYSA-N 458.522 2.267 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1539399962 VSXOQDABQKTGCO-GOSISDBHSA-N 482.463 2.202 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc(C(C)(C)O)cc2)CC1 1539432173 YTVJFNSHALULLY-SANMLTNESA-N 467.614 2.350 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCO[C@@H](C)c2ccccc2)CC1 1539451843 BXGKENOZPDADFU-UNMCSNQZSA-N 471.627 2.103 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 1540901340 AIHODJZABWQSED-UHFFFAOYSA-N 489.623 2.289 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@]2(CC(C(=O)NC3CCN(c4ccc(C#N)cn4)CC3)=NO2)C1 1542785467 CTIOMLLPUACDBA-QHCPKHFHSA-N 454.531 2.194 30 10 JEEE N#Cc1cn(CCC(=O)NC2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)c(=O)nc1O 1543256087 IDMXMIWYZBBHON-UHFFFAOYSA-N 450.326 2.298 30 10 JEEE CCOCC(=O)N1CCC2(CC1)CN(c1ccc(C#N)c(C(F)(F)F)c1)C[C@H]2C(=O)NC 1548377538 OOKDAUYPDNWMIS-SFHVURJKSA-N 452.477 2.405 30 10 JEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCNC(=O)c1ccc(C)cc1 1587975038 KLLKEJXMAOKHCO-UHFFFAOYSA-N 465.583 2.046 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 1588030332 SMQFXJOIRRASPB-XKGZKEIXSA-N 462.547 2.363 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1cccc(OC)c1)N1CCCC1 1588139163 MRPADJGBTMFQJS-JTHBVZDNSA-N 481.622 2.099 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H](C)CN2CCCCC2)CC1 1588751379 KAFUYBLBCZCFMC-DHLKQENFSA-N 458.651 2.196 30 10 JEEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1594895712 ORXKRLJXJDABMX-GOSISDBHSA-N 482.614 2.472 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(N(C)C)CCC[C@@H](C)C1)C1CC1 1595058499 NUAXUNKGQWUHSB-QMHWCDLVSA-N 480.679 2.276 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCOC1 1595239873 VSZZSBBEYYZRPA-FCHUYYIVSA-N 489.642 2.273 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](c2ccccc2)C[C@@H]1C 1595752596 BDYHIXUMWYFDMA-ICSRJNTNSA-N 457.600 2.497 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC2(S(C)(=O)=O)CCCC2)C1 1595755140 SUKLFKSOMMOFID-OTWHNJEPSA-N 468.620 2.141 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc3cccnc23)nnc1N1CCC[C@H](NC(C)=O)C1 1595777898 UCOMKXSYFDZLPC-IBGZPJMESA-N 468.583 2.199 30 10 JEEE N#Cc1cc(F)cc(NC(=O)CCn2c(=O)oc3cc(S(=O)(=O)N4CCCC4)ccc32)c1 1596845096 CFICGSCLHVBZKR-UHFFFAOYSA-N 458.471 2.419 30 10 JEEE CC(C)c1ncc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCS(=O)(=O)CC2)cn1 1598357305 FAJMYRQIKATFLB-UHFFFAOYSA-N 495.609 2.306 30 10 JEEE Cc1cc(C)n(C[C@@H]2CN(c3nnc(COc4ccc(C#N)cc4)n3CC(C)(C)O)CCO2)n1 1612511430 DTIGVRQCBBFLSI-NRFANRHFSA-N 465.558 2.218 30 10 JEEE COc1ccc(-c2nnc(N(C)[C@H](C)CC#N)n2CCS(=O)(=O)N(C)C)cc1Br 1619161225 IDCIXRYWFHTMDT-CYBMUJFWSA-N 485.408 2.346 30 10 JEEE C=CCNC(=O)CNC(=O)CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 1631619800 YGYPFUKOPWXCIC-JYRVWZFOSA-N 454.371 2.069 30 10 JEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCS(=O)(=O)[C@H]2CCC[C@@H]21 1640748622 BQZUEMWYWOHFLE-HOCLYGCPSA-N 457.346 2.276 30 10 JEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1cnn2cc(CCNC(=O)OC(C)(C)C)cnc12 1644597061 QVJNOWZQWXHLNZ-UHFFFAOYSA-N 457.531 2.214 30 10 JEEE C#C[C@H](NC(=O)NC1CCN(C(=O)CCCN(C)C(=O)OC(C)(C)C)CC1)[C@H]1CCCO1 1681816713 XQZXSJRLMRXULM-RBUKOAKNSA-N 450.580 2.105 30 10 JEEE C=CC[C@@H](NC(=O)NCC[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)c1ccncc1 1684647945 BKPJYYRGOBHLBG-ZWKOTPCHSA-N 452.577 2.422 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCN1CCOCC1(C)C 1689832092 WORNULCKVRKMBH-KRWDZBQOSA-N 473.647 2.115 30 10 JEEE C#CCCCCn1c(-c2ccccc2Br)nnc1N(C)CCNS(C)(=O)=O 1689882512 CKFRGJDTCOHDNZ-UHFFFAOYSA-N 454.394 2.497 30 10 JEEE C#CCCCCn1c(CCOc2ccccc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1689900929 VXILUZMPGONGSQ-HXUWFJFHSA-N 450.543 2.176 30 10 JEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1689936711 AKPNGLZLWUXVPY-QGZVFWFLSA-N 480.598 2.081 30 10 JEEE C#CCCCn1c(COc2ccccc2OC)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1689939781 CFXOJCBWDAOYJC-UNMCSNQZSA-N 480.613 2.268 30 10 JEEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1nccn1C(F)F 1689972646 WREPEEQLSNQRGB-UHFFFAOYSA-N 454.529 2.352 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC1([S@@](C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1689979652 FQNOXFQGLWBALE-XTDSUOIPSA-N 494.614 2.095 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H](C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 1689982458 NOPBVUYSXRVRLL-NQIIRXRSSA-N 486.598 2.212 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H](CC)Oc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1689987858 DGUQPVMNCCGNCS-OALUTQOASA-N 484.557 2.359 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCC(C)CC2)nc1 1690033418 XAHBFLLLCBCXSU-FQEVSTJZSA-N 483.642 2.031 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](N1CCOCC1)C(F)(F)F 1690089705 KHOBDWAZTKCFNX-MOPGFXCFSA-N 494.493 2.271 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc([C@@H](C)O)cc2)CC1 1690131984 CDOZFQQBWWDDNO-GOSISDBHSA-N 464.595 2.126 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H](c2cccs2)N(C)C)CC1 1690132685 WLKKAIKGTXHBQF-SFHVURJKSA-N 483.667 2.389 30 10 JEEE C#CCSCCn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1690183969 BDCCTSCCOXDJNX-UHFFFAOYSA-N 486.617 2.107 30 10 JEEE C=C(C)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC(NS(=O)(=O)CC)CC1 1690276350 ZEAUMQPPDHCDBJ-UHFFFAOYSA-N 495.675 2.031 30 10 JEEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1CCC[C@H](C)C1 1690508840 QOMWYHXJNSVJGY-OTWHNJEPSA-N 455.625 2.219 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1690662784 DFQXBFMNKSIPMD-UHFFFAOYSA-N 466.586 2.485 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](NC(=O)CC)C1 1690678016 IJGAYLGEUVOQLO-ROUUACIJSA-N 489.621 2.147 30 10 JEEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(-c2ccccc2Cl)n1CCC(=O)N(C)C 1693745629 GUANBVDJCMDCFR-MRXNPFEDSA-N 479.976 2.454 30 10 JEEE CCc1nc(CCn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@@H](C(=O)NC)C2)cs1 1694582502 AYZUGAIOVWQACG-GOSISDBHSA-N 451.556 2.030 30 10 JEEE CCc1nn(C)c(OC)c1Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1694609578 DTGRRAKAAWYJLF-XMMPIXPASA-N 462.558 2.132 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2CC2(N(C)C)CCOCC2)c1 1705505994 XHKJCJFNBIDGHD-UHFFFAOYSA-N 461.570 2.440 30 10 JEEE C#CCCCCn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@@H](CNC(C)=O)C1 1705511293 PCINWTHLMHLPLZ-KRWDZBQOSA-N 463.380 2.191 30 10 JEEE C#CCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1705526033 CNPHSSCYLJFVFL-QGZVFWFLSA-N 458.469 2.433 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCN(CC)CCC)[C@H]1CCS(=O)(=O)C1 1705560912 LVBCIWUPIPGGIR-KRWDZBQOSA-N 497.463 2.394 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(Oc2cccc(F)c2)nc1 1705573522 IGXWYQWXSSYTQX-QGZVFWFLSA-N 482.541 2.336 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1([S@@](C)=O)CC1 1705582292 XYNYOKXTMFVGGY-ZUQCGGBESA-N 459.616 2.377 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@](C)(O)[C@H](C)CC 1705591470 QONOOQAXPPAOKL-NTKDMRAZSA-N 471.627 2.455 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@]1(C)CN(C2CC2)C1=O 1705592305 UFPRPPFFWXGRKS-AREMUKBSSA-N 477.565 2.445 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCCNC(C)=O)CC1 1705642041 DRCLIKFHXGLGBB-UHFFFAOYSA-N 452.603 2.436 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCCc3ccccc3)n2C[C@H]2CCOC[C@H]2OC)CC1 1705650604 VBBZAQOJUVYHSJ-DNQXCXABSA-N 479.625 2.471 30 10 JEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(N2CCCCC2)CC1 1705819882 WKQRWJNVCSENRM-FQEVSTJZSA-N 466.652 2.032 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(COc2ccccc2)CC1 1705894297 UHQUXCFCHZBWEU-UHFFFAOYSA-N 452.559 2.112 30 10 JEEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C(C)(C)C)CC2)cc1 1705910100 RGHMQCHCBQBDKZ-SFHVURJKSA-N 476.647 2.422 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1705933815 SIICXTONABPJHA-SFHVURJKSA-N 463.604 2.436 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1CCCCS1(=O)=O 1706159091 ATHSSMQWDIRMBM-KSZLIROESA-N 494.618 2.046 30 10 JEEE CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2nc(C(F)(F)F)cs2)CCO1 1711362657 CSOVVIAFDJOCPP-CQSZACIVSA-N 477.472 2.292 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CCOC[C@H]1OC 1722281207 UEIGGCKVZOBARA-RYQLBKOJSA-N 460.604 2.056 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCN1CCN(CC)CC1 1722293922 PEQXMECWQHOLQO-HXUWFJFHSA-N 476.629 2.160 30 10 JEEE C#CCCCn1c(COc2ccc(OC)cc2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1722340464 YOAKUTMPSZPVLO-NRFANRHFSA-N 480.613 2.412 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccc3Cl)n2C[C@]2(O)CCOC2)n1 1722427439 JFXPDPARXYDDFY-HSZRJFAPSA-N 470.961 2.233 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@]2(O)CCO[C@H]2C)CC1 1722433923 JAMQCKGXECNUPC-HRAATJIYSA-N 460.376 2.003 30 10 JEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2cc(OC)c(OC)cc2CC1 1722458864 VKUNQNNCTFATMN-SFHVURJKSA-N 455.584 2.218 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N(C)C[C@@H]2CCN(C(C)=O)C2)nnc1[C@]1(OCC)CCOC1 1722502877 UKWJUOBJMSSXDJ-XARGGIHNSA-N 461.607 2.216 30 10 JEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C(=O)N(C)c2ccccc2)C1 1722630163 WUYMHTQYPXBLNZ-WOJBJXKFSA-N 487.626 2.262 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCN2CCOC(C)(C)C2)C1 1722716487 VURIBSSAYPZOQJ-HXUWFJFHSA-N 489.642 2.241 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)c1ccccc1C 1722728966 URTIRXOYFJMVDO-ZWKOTPCHSA-N 466.629 2.287 30 10 JEEE C=CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1722740092 KGBNXIBYBMBWLW-UHFFFAOYSA-N 496.659 2.175 30 10 JEEE CC1CCN(CCCn2c(-c3cccc(C#N)c3)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)CC1 1726631554 HVONDBYDRIDCML-FQEVSTJZSA-N 485.658 2.409 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2CCn2cc(Cl)cn2)c1 1740563648 WGAGFYALFUMBLE-UHFFFAOYSA-N 461.917 2.341 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1CCc1ccc(F)c(F)c1F)[C@@H]1CCS(=O)(=O)C1 1740622856 JTXPXOLIPJKYFI-OAHLLOKOSA-N 476.484 2.022 30 10 JEEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1C[C@@H](F)COC)[C@H]1CCS(=O)(=O)C1 1740623837 BPNLYMZJZIIKPH-MOPGFXCFSA-N 464.563 2.085 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CCCN1CCCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1740625506 OGTJWWNULRLAME-IFMALSPDSA-N 470.643 2.155 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1oc2ccc(F)cc2c1C 1740656759 MLUPKVOCTPGFHK-JOCHJYFZSA-N 499.568 2.316 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCS(=O)(=O)CC 1740658788 FGHDEJAFIHMKPD-SFHVURJKSA-N 463.604 2.248 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CCCN(C(C)=O)C1 1740676622 ITCKIEOGQPESRO-PZJWPPBQSA-N 452.534 2.267 30 10 JEEE C#CCSCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[C@H](C(N)=O)C1 1740711906 SYSCLINYIOFCGN-HNNXBMFYSA-N 459.572 2.039 30 10 JEEE C#CCSCCn1c(N2CCN(S(C)(=O)=O)CC2)nnc1C1(c2ccccc2)CCC1 1740723873 VMGPAZURSNOBCX-UHFFFAOYSA-N 459.641 2.196 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](C(=O)NC)C1 1740754422 SMEAZTSTXYEEOC-DYXWJJEUSA-N 487.626 2.292 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc3ccccc3o2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1740955199 YHTXPCISNMUZBU-MJGOQNOKSA-N 480.569 2.361 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(Cl)c(F)c1 1740990894 IZMKJUFURDRESU-MRXNPFEDSA-N 455.943 2.259 30 10 JEEE C#CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(Cc2nc(COC)no2)CC1 1748730772 SCLACNAXJROUDD-UHFFFAOYSA-N 492.584 2.412 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1ccc(NC(=O)NC(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 1748812385 UVDCQFAAJBLYDW-HXUWFJFHSA-N 495.609 2.478 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@]1(O)CCSC1 1748842268 JEQFAMLZNCECTP-DEOSSOPVSA-N 462.579 2.006 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCCCS1(=O)=O 1748950988 SLPLYXWGKDCRLC-OAHLLOKOSA-N 470.393 2.089 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@@]2(C)CN(C)C2=O)CC1 1749003254 DBHDFSIORJSUCJ-HSZRJFAPSA-N 499.413 2.152 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@](C)(O)c2ccsc2)CC1 1749010148 OHJPQDLBFKPUBP-XXBNENTESA-N 457.600 2.455 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(CN2CCCC2=O)cc1 1749053821 MOCAFHKDOZEFCY-HOYKHHGWSA-N 484.626 2.051 30 10 JEEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1749199725 ZSIFGXAXYGNCIA-UHFFFAOYSA-N 451.556 2.203 30 10 JEEE C=CC1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCN2CCCS2(=O)=O)CC1 1749334315 HLKOMGZCGWNFDO-UHFFFAOYSA-N 461.588 2.400 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1cc(Br)cs1 1749650250 OYZIZOOJUIKMNA-UHFFFAOYSA-N 467.393 2.277 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCC2(CC1)CNC(=O)C2 1749657634 CVHKAHZWIMAAGX-UHFFFAOYSA-N 482.585 2.150 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[C@H](C(=O)NC)C1 1749681633 FJHSQWBLMIKRPC-HNNXBMFYSA-N 463.007 2.488 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc(N2CCCC2)cc1 1749722046 ZTTQDXDUPVXNNU-UHFFFAOYSA-N 486.642 2.352 30 10 JEEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1749743716 AFCONNUUNYUKOU-JKSUJKDBSA-N 488.680 2.253 30 10 JEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1Cc1cc(C)nn1C)[C@@H]1CCS(=O)(=O)C1 1760187839 YEFXHEMXJQNPCC-LJQANCHMSA-N 473.002 2.239 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2ccccc2F)n1CCCN1CCC[C@H]1C(=O)N(C)C 1760204175 GQOBDSBVZDPULE-QFIPXVFZSA-N 450.562 2.024 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCSCCCO 1760219530 HCUCUVUBXYQGPI-LJQANCHMSA-N 477.631 2.165 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccccc3Br)n2CC2(O)CC(OCC)C2)CC1 1760258098 GOIJEKDNCLFEEV-UHFFFAOYSA-N 474.403 2.393 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(CC)CC)n1Cc1ccccc1S(=O)(=O)N(C)C 1760287795 GWXXQYPXKZTWFR-XMMPIXPASA-N 486.642 2.487 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C(CC)CC)N(C)C)CC1 1760402153 IBYQUNOSZRPYGN-RTWAWAEBSA-N 482.695 2.380 30 10 JEEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1760450227 GQRKWVVYIBPFRP-LJQANCHMSA-N 454.579 2.005 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1760527608 CADLPYOOLJVZTN-KBMIEXCESA-N 469.586 2.496 30 10 JEEE C=CCOc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CCC(NC(C)=O)CC2)cc1 1760531024 AMFUDRKHOITHNB-UHFFFAOYSA-N 452.559 2.119 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC(C(=O)NC)CC1 1760548326 DKABVSFHXPUWKM-INIZCTEOSA-N 479.578 2.120 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H](C)CC[C@H]1C 1760550538 ATACEBRSPYWIIZ-ZWKOTPCHSA-N 495.671 2.421 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCCN(C(=O)Cc2cccc(F)c2)CC1 1760553840 JLTFQTHNWRWEMJ-UHFFFAOYSA-N 475.590 2.177 30 10 JEEE CC(C)(C)[S@@](=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](Cn2cccn2)C1 1760804499 FXDKZDGTIZZFPP-KGMZSHBCSA-N 467.599 2.466 30 10 JEEE CCNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)N(CC)CC)CC1 1767242755 FQDWWFDXTCYHIH-IBGZPJMESA-N 468.606 2.311 30 10 JEEE CN(C[C@H]1CCOC1)c1nnc(COc2ccc(C#N)cc2)n1CC1(CS(C)(=O)=O)CC1 1768813110 AHOKVDSNYHTKPZ-GOSISDBHSA-N 459.572 2.026 30 10 JEEE Cn1cc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCNc2nccc(C(F)(F)F)n2)cn1 1769002847 APTUVNSOHNYNMM-KRWDZBQOSA-N 450.404 2.041 30 10 JEEE C=CCNC(=O)[C@H](CCC)NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccc3c(c1)OCO3)C2=O 1861509224 SBHVSBBTBFLOGJ-IBGZPJMESA-N 463.490 2.412 30 10 JEEE CN(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCNC=O)cc1 1862608931 ZIRQHLJEEXKPOU-QFIPXVFZSA-N 465.506 2.238 30 10 JEEE O=C(C1=C(O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccccc1[N+](=O)[O-])c1ccc2c(c1)OCCO2 1862609374 LMRNFTLZBTYEIK-JOCHJYFZSA-N 495.488 2.277 30 10 JEEE N#Cc1nnn(Cc2ccccc2F)c1NC(=O)CN1C(=O)c2ccc(Br)cc2C1=O 1870111721 AQKGAPCLRIWXGI-UHFFFAOYSA-N 483.257 2.334 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)Nc2ccc(C)cc2)cn1CCOCCO 1870709494 LIEAPYQIPOGDLX-UHFFFAOYSA-N 455.555 2.357 30 10 JEEE C=CCn1cc(OCC(=O)NCCN(CC)CC)c(=O)cc1CNc1ccc(OC)c([N+](=O)[O-])c1 1870976458 BNKYXIFYXGZCCL-UHFFFAOYSA-N 487.557 2.400 30 10 JEEE Cc1nnc(SCC(=O)NC2CCCC2)n(/N=C/c2c(C(=O)O)[nH]c3ccccc23)c1=O 1873495009 KCBGXZYLZQQTPR-LSHDLFTRSA-N 454.512 2.159 30 10 JEEE C=CCn1c(C(=O)NC[C@H](c2ccc(O)cc2)N(C)C)cc2c(N3CCOCC3)ncnc21 1873595376 ZWWDZLCXNWVQNO-OAQYLSRUSA-N 450.543 2.192 30 10 JEEE COc1ccc(N2C[C@H](c3nnc(SCCO)n3/N=C/c3ccc(O)cc3O)CC2=O)cc1 1874197798 BCRMPACXWDXBGN-AQXNZCSYSA-N 469.523 2.185 30 10 JEEE CC(C)N1C(=O)CS[C@H](C(=O)N2CCC([C@@H]3CNC(=O)C3)CC2)[C@H]1c1ccc(C#N)cc1 1889333193 NIWVNXSYPWLLQL-PMOQBDJRSA-N 454.596 2.326 30 10 JEEE C[C@@H](C#N)OCCS(=O)(=O)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1990657104 DHUPXXWQZNEPMP-YCRPNKLZSA-N 472.519 2.322 30 10 JEEE C=CCNC(=O)[C@H](C)[S@@](=O)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1990677389 LVQGBJLFXOQFJD-XEKSQTQTSA-N 470.547 2.418 30 10 JEEE CC(C)(C)OC(=O)N1CCn2c(COc3ccc(B4OC(C)(C)C(C)(C)O4)cn3)nnc2C1 2241123451 IQNXDTXEIJNYOB-UHFFFAOYSA-N 457.340 2.302 30 10 JEEE Cn1nc(C(=O)N[C@@]2(C)CCN(C(=O)OCc3ccccc3)C2)cc1B1OC(C)(C)C(C)(C)O1 2255623669 QCRCBBFKEIZMHV-DEOSSOPVSA-N 468.363 2.250 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(CNC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)O)s1 2256616844 FICITOZCQJKFQF-CZUORRHYSA-N 454.398 2.246 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2csc(B3OC(C)(C)C(C)(C)O3)c2)[C@](C)(CO)C1 2267277841 UXPSJIFHKGBJGM-QFIPXVFZSA-N 466.409 2.491 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1NS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2267376682 ZVKPLNNJEXYHOC-IRXDYDNUSA-N 467.397 2.105 30 10 JEEE Cc1cc(C(=O)NC2(C(=O)O)CN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2267538737 NRIYHGZNODGQDL-UHFFFAOYSA-N 466.365 2.160 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CC[S@@](=O)(=NC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2267587298 VQLZNYFUUALIDA-ZZQWGBOMSA-N 465.381 2.286 30 10 JEEE CC(C)(C)OC(=O)NC1(CNS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CCC1 2267705342 XNODDYUXYSLXPG-UHFFFAOYSA-N 467.397 2.107 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCO[C@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2268634932 LUHQKRSZIQTOIB-LSDHHAIUSA-N 451.304 2.141 30 10 JEEE COC[C@@H](CC(=O)N=c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)[nH]1)NC(=O)OC(C)(C)C 2268707966 YXTHUXCBCWWFLB-CYBMUJFWSA-N 469.775 2.324 30 10 JEEE C[C@H](CCNC(=O)OC(C)(C)C)CCNC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2268710988 KJHZBCOZFUWOIG-HNNXBMFYSA-N 450.389 2.390 30 10 JEEE CC(C)(C)OC(=O)N1CC(CO)(CNC(=O)c2ccc(F)c(B3OC(C)(C)C(C)(C)O3)c2)C1 2281764783 TYTBIHHRBNMXEV-UHFFFAOYSA-N 464.343 2.084 30 10 JEEE Cc1cccc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2O)c1B1OC(C)(C)C(C)(C)O1 2282127606 ZVLJGHFTRMLWAH-QZTJIDSGSA-N 460.380 2.394 30 10 JEEE CN(C[C@@H]1COCCN1C(=O)OC(C)(C)C)C(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1 2282512373 HWVRMJSUEAXADB-MRXNPFEDSA-N 461.368 2.089 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C(F)F)n1 2282534302 FBNOTFWFPPYGCO-SJLPKXTDSA-N 460.334 2.215 30 10 JEEE CCn1cc(C(=O)N2CC(C3(NC(=O)OC(C)(C)C)CC3)C2)nc1B1OC(C)(C)C(C)(C)O1 2282536474 CRJOYRZFFZDABQ-UHFFFAOYSA-N 460.384 2.332 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C12CCC2 2282537136 MCPVUJZBPAILAB-CVEARBPZSA-N 460.384 2.285 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1C[C@@H]2[C@H]1CCN2C(=O)OC(C)(C)C 2282593705 UNXQPVNNDYTISS-USXIJHARSA-N 460.384 2.330 30 10 JEEE Cn1nc(C(=O)N2CC=CCC23CN(C(=O)OC(C)(C)C)C3)cc1B1OC(C)(C)C(C)(C)O1 2282611394 KRMPRYBLDWGKDA-UHFFFAOYSA-N 458.368 2.111 30 10 JEEE Cc1cnc(C(=O)N2CCC(CNC(=O)C(F)(F)F)CC2)c(B2OC(C)(C)C(C)(C)O2)c1 2282644516 LGNNITHJXZHPQX-UHFFFAOYSA-N 455.286 2.220 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@@H]1CCCCN(Cc2ccccc2)C1 2282849262 YSECEJTUNHFASB-LJQANCHMSA-N 474.436 2.052 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C2(CC2)C1 2283060851 OCLXIKXPGDKKSG-HNNXBMFYSA-N 458.368 2.438 30 10 JEEE CC(C)(C)OC(=O)N[C@]1(C(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)C[C@H](O)C1(C)C 2284059462 HAHHXJDNNOFOFQ-WNSKOXEYSA-N 461.368 2.374 30 10 JEEE CC(C)(C)OC(=O)NC(C)(C)[C@H](O)C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2285180096 BIYSFKQWQJXUHE-QGZVFWFLSA-N 466.359 2.405 30 10 JEEE COc1ccc(N2C[C@@H](c3nnc(S)n3N=Cc3ccccc3S(=O)(=O)O)CC2=O)cc1 2322274394 ZINJJUHDRYRRIY-AWEZNQCLSA-N 473.536 2.225 30 10 JEEE CCCNC(=O)CSc1nnc(COC)n1N=Cc1cc(Br)c(O)c(OC)c1 2331565462 DKALISXGXRSAQE-UHFFFAOYSA-N 472.365 2.402 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H](CO)C(=O)Nc1cc(F)c(B2OC(C)(C)C(C)(C)O2)c(F)c1 2341195936 KGXYPZSDVZVEPO-LBPRGKRZSA-N 456.295 2.336 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@](Oc2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)(C(=O)O)C1 2345741586 RZBGUXIRTNPPLI-OAQYLSRUSA-N 452.288 2.363 30 10 JEEE CCO[C@@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C[C@H]1CNC(=O)OC(C)(C)C 2359279113 YKCMJCWRFKUUKG-CRAIPNDOSA-N 463.384 2.316 30 10 JEEE CCO[C@@H]1CN(C(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C[C@H]1CNC(=O)OC(C)(C)C 2359279582 QMSMVTFVUJHLHR-GDBMZVCRSA-N 481.424 2.444 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H]3C[C@H](C2)CN3C(=O)OC(C)(C)C)n1C 2362494327 ORWULQLGSRSDGH-CVEARBPZSA-N 460.384 2.109 30 10 JEEE COc1[nH]c(=N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2OC)ccc1B1OC(C)(C)C(C)(C)O1 2365348298 OOTSSRXMUVNGDT-DLBZAZTESA-N 463.384 2.248 30 10 JEEE CC/C(=N\Nc1nc(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)n[nH]1)c1ccccc1 20835312 WEVWJONRKDFSDJ-XQNSMLJCSA-N 459.557 2.409 30 10 JEEE CCNS(=O)(=O)c1ccc(NC(=O)CSc2n[nH]c(N/N=C(\C)c3ccncc3)n2)cc1 21082354 BKZFTCSTSAEKBY-ZMOGYAJESA-N 474.572 2.065 30 10 JEEE C=CCC[C@H](O)CN1CCN(Cc2nc(C(=O)N3CCN(c4ccccc4)CC3)co2)CC1 34677732 ZFBJIAXPENZSSR-QFIPXVFZSA-N 453.587 2.082 30 10 JEEE CCCCCCCCO[C@@H]1O[C@H]([C@@H](COC(C)=O)OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 97975644 YQYGIWWSRQRBBQ-CSEOROSGSA-N 460.520 2.447 30 10 JEEE CC(C)(O)[C@@H]1CC(=O)[C@]2(C)[C@H](CC[C@]3(C)[C@H](c4ccoc4)OC(=O)[C@@H]4O[C@@]432)[C@@]12COC(=O)C[C@H]2O 257427066 GNNAZOFNKOMONV-BJCQXCILSA-N 488.533 2.092 30 10 JEEE NCC#Cc1cncc(S(=O)(=O)NCC2(N(Cc3ccccc3)Cc3ccccc3)COC2)c1 705645796 LFZUZTDDNFSUNK-UHFFFAOYSA-N 476.602 2.142 30 10 JEEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccccc2-n2ccc(C(=O)OCC)n2)cc1 731011710 AKKJPDJUXHBDTL-UHFFFAOYSA-N 452.492 2.213 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccnc(OC2CCOCC2)c1 1286275052 MLHOCINPJASJCQ-UUOWRZLLSA-N 455.559 2.389 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(OC)cc(OC)c2)n1Cc1cccnc1N1CCOCC1 1286404594 TXQPNXZHDOCICX-UHFFFAOYSA-N 472.549 2.315 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCN(c2ccccc2OC)C1 1286446804 HWICCAONISUCLB-RBUKOAKNSA-N 457.600 2.175 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@H]2CCOC[C@@H]2OC)CC1 1286475197 ZBEYLXNENNBYIV-OFNKIYASSA-N 469.586 2.159 30 10 JEEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CCOCC)[C@@H](CC)C1 1286530568 PKSZRFIFDCXBEP-KRWDZBQOSA-N 469.428 2.360 30 10 JEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCSC1(C)C)C1CC1 1286736164 BOHOBHCNHDHOEE-NVXWUHKLSA-N 455.650 2.298 30 10 JEEE C=CCn1c(CSc2ccc(C)cc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1286777982 QZKINVJUHCRRCR-UHFFFAOYSA-N 456.616 2.046 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC(NC(=O)C(C)C)CC1 1286778809 BHNDZZXFYCUCPX-UHFFFAOYSA-N 470.574 2.006 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N(C)Cc1cnn(C)c1 1286782517 XGJNJIJLOKTKND-UHFFFAOYSA-N 450.366 2.441 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 1286818522 JVWKUHRFYJXBEJ-QGZVFWFLSA-N 491.618 2.077 30 10 JEEE CC(=O)c1cccc(S(=O)(=O)NCCC(=O)N2CC[C@H](N(C)c3cccc(C#N)c3)C2)c1 1300018276 FNRXMUVOAQYWRN-NRFANRHFSA-N 454.552 2.167 30 10 JEEE C#CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1300357659 UEHZGRAXVLHBJV-SFHVURJKSA-N 482.610 2.492 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@H](c1cccc(F)c1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1300486962 CLQLVOHHCABDBY-IFMALSPDSA-N 484.601 2.352 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@H]1CCC=CO1)[C@@H]1CCS(=O)(=O)C1 1300499954 ZVHNATZPRKHPIH-IAGOWNOFSA-N 462.522 2.467 30 10 JEEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1Cc1csc(COC)n1 1300591761 WQBQFMZTVRCXMM-UHFFFAOYSA-N 454.581 2.384 30 10 JEEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(Cn2ccnn2)CC1 1300863765 ULOAGDCONTVFJD-IRXDYDNUSA-N 466.384 2.419 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1300881320 NSIHDJYTDFCPPM-NQIIRXRSSA-N 474.631 2.490 30 10 JEEE C=CCCOCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@]2(CCC(=O)N2)C1 1301258393 RIOZPDQKJUVGGX-HOYKHHGWSA-N 490.605 2.038 30 10 JEEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@@H]3CCCN3C[C@@H]2C)cc1 1301518011 FPHMNQFZJYBWFE-BJLQDIEVSA-N 474.631 2.174 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2Cc2nncn2C)C1 1301568758 XNLLYJQWCDJVQI-SJORKVTESA-N 458.567 2.308 30 10 JEEE CC(=O)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@](C)(O)c2ccco2)CC1 1301703318 CYHWRDKVIPYYEQ-XMMPIXPASA-N 464.526 2.288 30 10 JEEE COc1cc2c(cc1S(=O)(=O)N1CCC(Oc3cccc(C#N)c3)CC1)C(=O)NCCC2 1309165982 BDLXFTIOPAIQJQ-UHFFFAOYSA-N 455.536 2.475 30 10 JEEE CO[C@@]1(C)CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1315241324 BBQGYDAOUJKRFW-GCJKJVERSA-N 458.588 2.104 30 10 JEEE C[C@@H]1CN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c2ccccc2C(=O)N1 1357696987 IAESGCIBRNKOFZ-MRXNPFEDSA-N 452.536 2.124 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCc1nccnc1C 1358895833 RNBYRPWVLIENRC-OAQYLSRUSA-N 458.614 2.442 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CCC1(COC)CCCC1)[C@H]1CCS(=O)(=O)C1 1358965102 NXCUQSZSEGUWJV-NRFANRHFSA-N 471.627 2.488 30 10 JEEE C#CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCOC(C)C)[C@H]1CCS(=O)(=O)C1 1358967047 CFMOJZPGUPFSOB-OTWHNJEPSA-N 495.646 2.101 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1359030128 OUEPPPYYQSKRQD-VQTJNVASSA-N 487.626 2.007 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCNS(=O)(=O)CC 1359074965 YLQIDQGTLRIYAU-HTAPYJJXSA-N 480.635 2.282 30 10 JEEE C=C(Cn1c([C@@H](C)OCCOC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1)c1ccccc1 1359137776 ANEQOUKLKQUWAG-QUCCMNQESA-N 468.558 2.188 30 10 JEEE C=C(Cl)Cn1c(Cc2csc(C)n2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1359153945 YCFBHMCJJQBEEQ-UHFFFAOYSA-N 458.979 2.207 30 10 JEEE C=CCN(CC=C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@]1(O)CCS(=O)(=O)C1 1359267869 VFVUEWREPLQTKK-JOCHJYFZSA-N 454.556 2.063 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCCN(C(=O)c2ccccc2F)CC1 1359334596 KYJHJCHLQKITKM-UHFFFAOYSA-N 475.590 2.323 30 10 JEEE C=CCSCCn1c(-c2cccn2C)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1359340653 UUFUDKDKUARNMX-UHFFFAOYSA-N 452.588 2.023 30 10 JEEE Cc1cccc(O[C@@H](C)c2nnc(N3CC[C@@](F)(C#N)C3)n2CCS(=O)(=O)N(C)C)c1C 1360872855 BVFMDIHWMDWZBD-LAUBAEHRSA-N 464.567 2.368 30 10 JEEE N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@@H]2CCN(c3ccccc3C(F)(F)F)C2)cc1 1448017798 CGKJTURVJFZHIY-OAHLLOKOSA-N 452.458 2.250 30 10 JEEE C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C#N)cc2)n1CCN(C)C(=O)OC(C)(C)C 1493168522 FGKLXXUSYULVEF-MRXNPFEDSA-N 453.547 2.351 30 10 JEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1507606143 BKCHAGYFBJHZPV-MRXNPFEDSA-N 476.603 2.178 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccc(C[S@](C)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1507623054 OHUOJXZAQIXDDP-QTEAWJPNSA-N 462.641 2.129 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccc(Cl)cc1F)[C@@H]1CCS(=O)(=O)C1 1507632220 JYQRXXLPQBIUJB-DOTOQJQBSA-N 452.939 2.250 30 10 JEEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1(C)CCOCC1 1507710660 SPKLOIFNEWUYGN-UHFFFAOYSA-N 460.604 2.141 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCN2CCCO[C@@H](C)C2)CC1 1507721768 XTFQQTAJLLQRLU-FQEVSTJZSA-N 467.574 2.109 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@]2(C)COCCO2)CC1 1507721980 WEHLIAINRIEADO-OAQYLSRUSA-N 478.366 2.407 30 10 JEEE C#CCN1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(OCC(F)(F)F)cc2)CC1 1507723311 CVLTZKPSBYBARF-UHFFFAOYSA-N 457.460 2.480 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@H]2CCC(=O)N2)CC1 1507734044 GBEYHLXLQKAOBW-OAQYLSRUSA-N 462.598 2.487 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCS(=O)(=O)Cc1ccccc1 1507772375 JPYDCLBKFZJEIU-NZQKXSOJSA-N 490.651 2.177 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCN(CCOC)CC2)nnc1[C@]1(OC(C)C)CCOC1 1507811238 OWNRGCUMBWXRNV-HFMPRLQTSA-N 463.623 2.068 30 10 JEEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN([C@@H](C)c2cccc(OC)c2)CC1 1507823801 IBRUPWPHEXSVCZ-MSOLQXFVSA-N 462.620 2.356 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CC[C@@](C)(CC)O2)CC1 1507901788 GAJQVZNWYSZHNW-XQBPLPMBSA-N 467.636 2.361 30 10 JEEE C=CCN(c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1nncn1CC)C1CC1 1507993642 SNWLEODJGIVNNB-QGZVFWFLSA-N 458.567 2.401 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1CN1CCC(O)CC1 1508018945 JNHCRGYKSXUCLX-QFIPXVFZSA-N 485.654 2.364 30 10 JEEE C=CCn1c(N2C[C@H](C)[C@@H](N3CCN(C(C)=O)CC3)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1508066279 NJIBEYYHRWVXRJ-WJMWBRGCSA-N 487.649 2.224 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1508074653 RITPNCOWSMQFLE-GOSISDBHSA-N 493.395 2.382 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1508078044 SOSUDUCEJQMTRC-DEOSSOPVSA-N 495.672 2.041 30 10 JEEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCN(c2nc(C)cs2)CC1 1508094104 GCQAKYZSAFSIFG-UHFFFAOYSA-N 467.599 2.293 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCOC[C@@H]1C 1519151120 HZVUWQIKJDCZRZ-VLCRHTCISA-N 487.626 2.377 30 10 JEEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1C[C@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1539230462 MSBBNGUWYCSNQZ-VQTJNVASSA-N 459.616 2.051 30 10 JEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ccc(N(C)C)nc1 1539264956 AMMZGTTVPAAKNT-UHFFFAOYSA-N 455.570 2.034 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@@H]1CCS(=O)(=O)C1 1539400621 ITIDEWVEECTRHP-SFHVURJKSA-N 453.568 2.322 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@]2(C)COCCO2)CC1 1539437481 BNVKVBWBWDHMKJ-OAQYLSRUSA-N 460.376 2.268 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CCc2csc(CC)n2)CC1 1539484633 XCZLVXRXVARHDH-UHFFFAOYSA-N 463.611 2.491 30 10 JEEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CC(=O)NC)CC1 1539525763 BPKQBOYVWNMNTA-UHFFFAOYSA-N 452.584 2.448 30 10 JEEE C=C(Br)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1539585825 BLSBWFBZJXMTLK-INIZCTEOSA-N 486.378 2.134 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N(C)CC(=O)N1CCOCC1 1539643442 WCPNPXXSHRTHOB-JPYJTQIMSA-N 473.549 2.272 30 10 JEEE C=C(C)COCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)C1CCC(NC(C)=O)CC1 1539734985 CTJXYLDENBTBIR-UHFFFAOYSA-N 479.589 2.397 30 10 JEEE C=C(C)COCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1539742334 AZWRZYKASKUZLB-FQEVSTJZSA-N 456.572 2.347 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CCCCO3)n2CCS(=O)(=O)N2CCSCC2)CC1 1539888483 QCGXJJBWOPQZMP-SFHVURJKSA-N 455.650 2.301 30 10 JEEE C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1540861115 CBQIAIVXNGPXJE-YLJYHZDGSA-N 457.579 2.440 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1540864043 NHGPOQKDOLTCDT-GJZGRUSLSA-N 463.380 2.211 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC=C(C)C1 1540902647 NRBRLBOMIHVPDQ-UHFFFAOYSA-N 457.604 2.209 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1540904111 JCVAJAAONDHXJC-FQEVSTJZSA-N 475.590 2.200 30 10 JEEE COCCNC(=O)[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CC12CCN(C(C)=O)CC2 1548379776 ZYQXPYMZIFFQDW-IBGZPJMESA-N 452.477 2.405 30 10 JEEE N#Cc1ccccc1N1CCC(NC(=O)c2cccc(CN3CCS(=O)(=O)CC3)c2)CC1 1587600740 BUYHMLDSGNYBIT-UHFFFAOYSA-N 452.580 2.187 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2CCCC2)c1 1587683566 KRAOYAFHEVYAOK-MRXNPFEDSA-N 458.588 2.135 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCN(C)CCCC)[C@@H]1CCS(=O)(=O)C1 1588040515 NXSHPIUVKGXALE-GOSISDBHSA-N 465.023 2.352 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCc2ccccn2)cc1 1588139011 KGIRSKAGLISAEZ-NRFANRHFSA-N 475.574 2.275 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CN(CC(C)C)CCO1 1588218826 DPVVAIQVZCZGHN-OAQYLSRUSA-N 487.608 2.012 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCO[C@H](C)C1 1588595633 WYQQYYFXYVVJPX-RTBURBONSA-N 475.615 2.097 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@H]2CCC[C@@H](O)C2)CC1 1588899594 SQMVMURLHHBJPV-GHTZIAJQSA-N 451.571 2.471 30 10 JEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(CCc2ccccc2)CC1 1589110300 SFEDSOFRFZLVCV-UHFFFAOYSA-N 452.628 2.132 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1csc([C@H](C)OC)n1 1589149828 AHWWBPIVUPCDKN-BIENJYKASA-N 452.606 2.093 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCN/C(O)=C1\N=CC=CC1=O 1589171630 MPWIUNWTIDDHIA-LBMBTHBCSA-N 461.482 2.372 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccc2C)nnc1N1CCN(CC(=O)N(C)C)CC1 1589556445 CISAIVPJYUQNMB-DHLKQENFSA-N 466.630 2.369 30 10 JEEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)c2cccc(C)c2)CC1 1594807747 YOIPNPKKTSVLPO-OAQYLSRUSA-N 466.586 2.483 30 10 JEEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1595314261 KWGZHUWVPXJLSX-SJLPKXTDSA-N 474.993 2.415 30 10 JEEE CCOC(=O)c1c(NC(=O)N2CCN(c3ccc(C#N)cc3)CC2)c(C#N)cn1CCOC 1623545247 HXRKDZWZQUPRIH-UHFFFAOYSA-N 450.499 2.409 30 10 JEEE C=C[C@@H]1OCC[C@H]1NC(=O)[C@@H](CCSC)NS(=O)(=O)c1ccc(Br)cc1 1624338998 BXCOZLPJZCYJLC-OAGGEKHMSA-N 463.419 2.309 30 10 JEEE C[C@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)N1CCN([C@H](C#N)c2ccccc2)CC1 1657631791 BLHHYRANHMMCRM-XMSQKQJNSA-N 455.584 2.146 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCC2CCOCC2)c1 1689872136 PFPSECDBJBIHBJ-OAQYLSRUSA-N 499.637 2.443 30 10 JEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(OC)c(C)c1 1689893119 UQSHNECICPXPSL-NRFANRHFSA-N 475.615 2.368 30 10 JEEE C#CCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1689913473 OTXVICKKUAKVKR-LJQANCHMSA-N 482.560 2.242 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CCc1ccc(NC(C)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1689993321 AVYQGPQRFVTOQF-HSZRJFAPSA-N 492.605 2.092 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1ccc(OC)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1689993662 JDJAVBZPZRXVAG-LJQANCHMSA-N 469.542 2.087 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCOc2ncccc2F)CC1 1690115209 WXGIRMWIEVISSC-UHFFFAOYSA-N 451.462 2.222 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1CC1(N(C)C)CCOCC1 1690210891 MVCPGHSFFVSVDG-JOCHJYFZSA-N 456.616 2.373 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1690235840 FIGZWNOXNTUCTN-RTBURBONSA-N 473.622 2.125 30 10 JEEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCNC(=O)C(C)C 1690288101 IEXJAVJTJKWOJO-KRWDZBQOSA-N 450.584 2.371 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@@H](COC(C)C)C2)cc1 1690680520 UKLXVEMUSJQJCT-RTWAWAEBSA-N 455.559 2.473 30 10 JEEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1690740392 SYDRFPODCAADPH-UHFFFAOYSA-N 456.576 2.293 30 10 JEEE CCC(O)(CC)Cn1c(Cc2ccncc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1694418973 CMQVYHIANLEKDI-UHFFFAOYSA-N 463.590 2.055 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCCN(C(C)C)C1 1705576309 JNIKVPMMBNEBFY-NRFANRHFSA-N 482.654 2.389 30 10 JEEE C=C(Br)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@H](OCCOCC)C1 1705682612 GHTDBRNTDGGTPJ-SFHVURJKSA-N 489.378 2.461 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2OC)nnc1N1CCO[C@@H](CNC(C)=O)C1 1705701538 CDGASJHRSINNBT-DXIQSLLYSA-N 455.559 2.276 30 10 JEEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1705811131 RYULZQFFAMASJL-UHFFFAOYSA-N 460.604 2.035 30 10 JEEE C=CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1705887671 UHQNJFYHRRXNCI-QRVBRYPASA-N 484.582 2.129 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 1705898336 IRBITXWDMLEQOZ-UHFFFAOYSA-N 483.935 2.397 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1705912809 VDYMXWWBEVRERU-SVFBPWRDSA-N 468.602 2.388 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc(CN2CCCC2=O)n1C[C@@H](c1cccs1)N1CCOCC1 1706749737 BYCQFWVYQXDGJJ-ROUUACIJSA-N 457.604 2.274 30 10 JEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(=O)Nc1ccc(F)cc1 1722349808 BRLLJJFJVXQRTQ-UHFFFAOYSA-N 455.519 2.085 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2C[C@H](C)N(C)C2CC2)CC1 1722448737 GJPKINBPYXTUTH-SFHVURJKSA-N 452.578 2.457 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@](C)(O)c2ccc(F)cc2)CC1 1722453033 NIOIEYHTCNAIRX-NDIWIEOSSA-N 499.587 2.015 30 10 JEEE C#CCSCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC(C(=O)NC)CC1 1722453883 FTJYIKDOKZPBKG-UHFFFAOYSA-N 473.599 2.300 30 10 JEEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1722457034 NEABDYSJBNNJFE-UHFFFAOYSA-N 471.594 2.423 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(Oc2cncc(Cl)n2)CC1 1722459951 UHQXTJCCJOZBKO-OAHLLOKOSA-N 497.046 2.038 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cn2ccc3ccccc32)nnc1N(C)CCNS(C)(=O)=O 1722508025 ZVRUITYCZPHRHB-DENIHFKCSA-N 472.615 2.248 30 10 JEEE C=C(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CCN1CCOC(C)(C)C1 1722522874 JDDMIXZQEINRCG-UHFFFAOYSA-N 451.575 2.315 30 10 JEEE COCCC1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(CC(=O)NC(C)C)CC2)CC1 1730641799 AWOMZZJIVZSTJS-UHFFFAOYSA-N 465.602 2.280 30 10 JEEE COCCN(C)S(=O)(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(C)CC2)C1 1730733621 CNVLMXVTLLMKMV-HXUWFJFHSA-N 472.615 2.494 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CCCN1CCN(c2ccncc2)CC1 1740558923 VYFXJUXVAPAHRL-HXUWFJFHSA-N 492.653 2.335 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(CSc2ccccc2OC)n1C[C@H]1CCCN1S(C)(=O)=O 1740559035 JCPZWXPWXXIPSF-IAGOWNOFSA-N 463.629 2.461 30 10 JEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](c2ccccc2)C1 1740573325 BBQXTNTUEMOGJT-RTWAWAEBSA-N 457.600 2.408 30 10 JEEE C#CCN(c1nnc(-c2ccc(Br)s2)n1CC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1740618390 GUHGRGMDENSXTO-GFCCVEGCSA-N 473.418 2.167 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1ccc(OCCC)nc1)[C@@H]1CCS(=O)(=O)C1 1740625602 GWOHJHKFFIUBCK-UXHICEINSA-N 473.599 2.379 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1CCNC(=O)c1ccco1 1740633100 VLRSOAZCRXPAAB-UHFFFAOYSA-N 455.316 2.142 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cn(C)c3ccccc23)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1740637182 SRKDBWMNEWHFOF-XMMPIXPASA-N 471.609 2.452 30 10 JEEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1CC1(N(C)C)Cc2ccccc2C1 1740646493 AYLMAGAEKQPUCO-MHZLTWQESA-N 461.610 2.492 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2CCCN(C(C)C)C2)CC1 1740697372 BQYJGCWIIBXXJN-OAQYLSRUSA-N 484.670 2.224 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@](C)(O)CCOC)CC1 1740704078 JWUBYGNLGRYTNH-QHCPKHFHSA-N 459.978 2.352 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@](C)(O)C2CC2)CC1 1740707873 UAXRXZFUUPQNOF-UMEGOILYSA-N 457.619 2.324 30 10 JEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC(OC[C@H]2CCCCO2)CC1 1740719991 OJQAMKOPLNWPAQ-HXUWFJFHSA-N 461.632 2.321 30 10 JEEE C=C(Br)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1740741442 VCWUMNWVTJEUBV-QGZVFWFLSA-N 484.358 2.492 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1740955637 ARQJTQRTFPZCTQ-LJQANCHMSA-N 464.574 2.381 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1740989684 VLEPVNBGOHGKRI-HDICACEKSA-N 465.595 2.230 30 10 JEEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(n2cc(Cl)cn2)CC1 1740996490 NNJAXLGBWXECRN-AWEZNQCLSA-N 474.056 2.499 30 10 JEEE CCS(=O)(=O)N(C)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2CCOCC2)CC1 1747422073 HKJFXDJPCODGQF-UHFFFAOYSA-N 472.615 2.494 30 10 JEEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC(C)(F)F 1747730255 HINUEGMVJMRFTC-KRWDZBQOSA-N 468.530 2.164 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CCC3)n2C[C@@H]2CCCS(=O)(=O)C2)c1 1748692705 LVPVTNPGOKGBAB-SFHVURJKSA-N 455.584 2.427 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2CCCO[C@@H]2CCOC2)c1 1748697030 AIIGREJVIHKBDD-NHCUHLMSSA-N 453.543 2.381 30 10 JEEE C#CCN(C)c1nnc([C@H]2COc3ccccc3O2)n1CC1(NC(=O)OC(C)(C)C)COC1 1748789042 HDZJBSWQKAIUFJ-GOSISDBHSA-N 455.515 2.154 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CC1(CC)CCC1)[C@H]1CCS(=O)(=O)C1 1748804791 LGMUXSQXGLFGTN-AVRDEDQJSA-N 450.605 2.137 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1CCCN(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1748812138 QSVPTHWGXTWTMP-IBGZPJMESA-N 459.616 2.311 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H](C)CN1CCN(CC)CC1 1748888458 XAJICOQYBHHRQA-NRFANRHFSA-N 486.624 2.330 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](c2ccsc2)N(CC)CC)CC1 1748971443 PTUMLJUVEWDOKL-NRFANRHFSA-N 469.659 2.414 30 10 JEEE C#CCSCCn1c(N2CCO[C@H]([C@H]3CCCO3)C2)nnc1[C@]1(OC(C)C)CCOC1 1749049198 FSLVFYNOSGJCCO-DXIQSLLYSA-N 450.605 2.069 30 10 JEEE COc1ccccc1O[C@@H](C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CC#N)CC1 1749074415 GKOLBFKRLXARAA-IRXDYDNUSA-N 476.603 2.494 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC[C@H]1CCCCO1 1749159755 XXUFJUNXUXGQTL-MOPGFXCFSA-N 455.625 2.363 30 10 JEEE C=C(Cl)Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1749253464 OTFTYUOYGLIHMX-ZDUSSCGKSA-N 477.816 2.317 30 10 JEEE C=C1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1749304081 UMHWKLLTYMTYDJ-ROUUACIJSA-N 481.619 2.178 30 10 JEEE C=CCCCn1c(N2CCN(c3ccc(C(N)=O)cn3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1749439489 AEFMAMFKXCVWSJ-DEOSSOPVSA-N 469.590 2.105 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@H](C(=O)NCCC)C1 1749726708 BHPQKOTZYOFJHH-SFHVURJKSA-N 489.598 2.017 30 10 JEEE CC(C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1750644213 DPDLHDKMCVUOMX-GOSISDBHSA-N 478.523 2.258 30 10 JEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(N(C)C(=O)OCC)CC1 1760137610 LAVAGBBJRYWAPW-KRWDZBQOSA-N 451.593 2.041 30 10 JEEE C#CCN(c1nnc([C@H]2COc3ccccc3O2)n1CCCOC(F)F)[C@H]1CCS(=O)(=O)C1 1760186649 PVKJYHRDRWIJOE-MAUKXSAKSA-N 482.509 2.047 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1CC[S@](=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1760190659 TYPVHZWOKOLSPH-GTJUCTONSA-N 492.667 2.051 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1nccn1C(F)F 1760248533 BFYGDHPVZSQSTI-INIZCTEOSA-N 495.531 2.312 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2ccccc2C)CC1 1760281575 PCKORNBSLCVCLC-NRFANRHFSA-N 473.668 2.177 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCS(=O)(=O)N(C)C 1760290356 CUKZPWOVTNYHFT-JOCHJYFZSA-N 453.572 2.219 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@H](c2ccnn2C)C1 1760517430 MBUQKSPZUSWILR-KRWDZBQOSA-N 465.558 2.382 30 10 JEEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@](C)(c2ccccc2)C1 1760526380 MMVFKZNRAGEWDA-DEOSSOPVSA-N 480.594 2.324 30 10 JEEE CC1CCN(C(=O)C2CCN(c3nnc(-c4cccc(C#N)c4)n3CC(=O)N(C)C)CC2)CC1 1762941207 HDNGCKQTOZLYPZ-UHFFFAOYSA-N 463.586 2.380 30 10 JEEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(-c2ccccn2)n1CC(C)(C)CN(C)C 1763043227 AUDWASDHNDMWFV-SFHVURJKSA-N 460.590 2.305 30 10 JEEE C[C@H]1OCC[C@]1(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1763267832 BXDGCMRELGZIPI-QRQCRPRQSA-N 492.502 2.252 30 10 JEEE COC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCS(=O)(=O)C2)C1 1767869047 HVNBWAXHCHRFLH-PKOBYXMFSA-N 457.556 2.031 30 10 JEEE CO[C@H](C)c1nc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCS(=O)(=O)CC2)cs1 1769542924 HLCWCQZKMXVYGE-CQSZACIVSA-N 458.569 2.264 30 10 JEEE Cc1noc(C)c1S(=O)(=O)Nc1ccc(N2CCN(C(=O)c3cccc(C#N)c3)CC2)nc1 1858441989 KTIUSEZJBUZBCY-UHFFFAOYSA-N 466.523 2.321 30 10 JEEE CC[C@H](NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 1866875517 BWOCWEIUWJMLFC-OALUTQOASA-N 489.623 2.206 30 10 JEEE COCCCN1C(=O)c2ccc(C(=O)N[C@@H](C)C(=O)N[C@H](C#N)c3ccc(C)cc3)cc2C1=O 1867515336 QVSTYWGGWIJJJR-HRAATJIYSA-N 462.506 2.127 30 10 JEEE C=CCN(CC=C)c1nc(NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)n(C(C)(C)C)n1 1870000424 OYBQWCLJQAMXDT-UHFFFAOYSA-N 467.486 2.354 30 10 JEEE C=CCn1cc(OCC(=O)Nc2ccc(CCCC)cc2)c(=O)cc1CN(CCO)CCO 1870719318 HLVWQUDPNFRKPI-UHFFFAOYSA-N 457.571 2.181 30 10 JEEE C=CCn1cc(OCc2cc(=O)oc3ccc(C)cc23)c(=O)cc1CN1CCN(CCO)CC1 1870766487 CLHVNYGQTVKCFC-UHFFFAOYSA-N 465.550 2.138 30 10 JEEE COCCN(CCOC)S(=O)(=O)c1ccc(OCC(=O)Nc2sc3c(c2C#N)CCC3)cc1 1872720829 XBIALFCFNIGULX-UHFFFAOYSA-N 493.607 2.409 30 10 JEEE COc1ccc(OC)c(/C=N/n2c(COc3ccccc3OC)nnc2SCC(N)=O)c1 1874289433 DPSIKVXONGYTQG-FOKLQQMPSA-N 457.512 2.343 30 10 JEEE COCCc1nnc(SCC(=O)NCc2ccccc2)n1/N=C/c1cccc(OC)c1O 1874474742 QVVLPLMUKBJIPF-ZVHZXABRSA-N 455.540 2.472 30 10 JEEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)CN3C(=O)c4ccccc4S3(=O)=O)cc21 1891462276 OEMQLUASHQXLRR-UHFFFAOYSA-N 469.519 2.407 30 10 JEEE C[C@@H]1COc2c(F)c(F)cc3c(=O)c(C(=O)N4CCN(c5ncccc5C#N)CC4)cn1c23 1891646392 QEJUFBNZXHHRNH-CYBMUJFWSA-N 451.433 2.462 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CCC(N)=O)C(=O)N1CC[C@H]2C[C@]2(B2OC(C)(C)C(C)(C)O2)C1 2141243250 GCDURCWKFKOUBU-DFFLPILJSA-N 451.373 2.230 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](F)[C@H](C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)C1 2256640118 MZJGCBBNBIIREE-ZIAGYGMSSA-N 455.361 2.264 30 10 JEEE Cc1cc(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 2267159586 JXHPSUBEVLWJON-GDBMZVCRSA-N 466.409 2.313 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@](C)(NS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2267467737 FSFQZAQRHCNTAT-FQEVSTJZSA-N 487.453 2.261 30 10 JEEE CC(C)N(CCN(C)C(=O)OC(C)(C)C)C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2267503240 AIUSMZVJMJAPOA-UHFFFAOYSA-N 450.389 2.437 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@H](CCNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)C1 2267535152 SEXDBNRKJQUCES-AWEZNQCLSA-N 467.397 2.198 30 10 JEEE CN([C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2267704098 HZXBMWAFTWGUSO-GOSISDBHSA-N 477.461 2.478 30 10 JEEE CON(CCNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1F)C(=O)OC(C)(C)C 2267705823 MXSKSSJITQFQSZ-UHFFFAOYSA-N 474.360 2.202 30 10 JEEE C=C(CS(=O)(=O)N(C1CN(C(=O)OC(C)(C)C)C1)[C@@H]1CCOC1)B1OC(C)(C)C(C)(C)O1 2267723319 RPBSRKNQEPKCEP-MRXNPFEDSA-N 472.413 2.214 30 10 JEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCCC[C@@H]2CCCN2C(=O)OC(C)(C)C)n1 2281955186 IDOXRZOLIDZZAE-OAHLLOKOSA-N 463.388 2.024 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1CO 2281969481 MFCFVPNLXVOZOX-HUUCEWRRSA-N 481.424 2.098 30 10 JEEE CN(CC1CCN(C(=O)OC(C)(C)C)CC1)C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2281977480 PWRHVLGGSKIHRJ-UHFFFAOYSA-N 462.400 2.438 30 10 JEEE Cc1ccnc(C(=O)N[C@@H]2COCC[C@@H]2NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2282002607 QITCAFFWRSIIGW-JKSUJKDBSA-N 461.368 2.101 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H]3C[C@@H](C2)[C@H](NC(=O)OC(C)(C)C)C3)n1 2282048815 QQBXQYLSPPWIRT-YQQAZPJKSA-N 460.384 2.095 30 10 JEEE CC(C)(C)OC(=O)NC[C@@]1(C)CCN(S(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282297279 DUAWDZIECVKSCH-JOCHJYFZSA-N 481.424 2.306 30 10 JEEE Cc1c(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC23CC3)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282554534 FTODRYKNLJGSJV-OAHLLOKOSA-N 460.384 2.157 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2CN(C(=O)[C@H]3C[C@@H](B4OC(C)(C)C(C)(C)O4)C3)CCN2C1=O 2282646617 QFABEZCIYCAQSX-YYIAUSFCSA-N 463.384 2.195 30 10 JEEE C[C@H]1[C@@H](C)N(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)C[C@@H](C)N1Cc1ccccc1 2282699458 KGLFDWZABFKTLL-FGTMMUONSA-N 453.396 2.238 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](NC(=O)c3ncncc3B3OC(C)(C)C(C)(C)O3)CC[C@H]2C1 2282708415 MFDBNXDPIHTZMY-UXLLHSPISA-N 458.368 2.151 30 10 JEEE Cc1nc(NC(=O)[C@@H]2[C@@H](CNC(=O)OC(C)(C)C)C2(F)F)ncc1B1OC(C)(C)C(C)(C)O1 2283978055 XRLDFEGJENYKCE-OCCSQVGLSA-N 468.310 2.429 30 10 JEEE Cn1ncc(C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)c1CNC(=O)OC(C)(C)C 2283981306 KVADNYSXXNJOEH-UHFFFAOYSA-N 477.396 2.131 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](Cc1ncns1)C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2284043226 XCTNTMKONYYWPA-ZDUSSCGKSA-N 495.436 2.046 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@]1(C(=O)O)CCN(Cc2ccccc2)C1 2284474309 JJTVDGDYQGOJGP-QHCPKHFHSA-N 471.388 2.210 30 10 JEEE CCOC(=O)c1c(N=C2SC(=CC(=O)OC)C(=O)N2c2ccccc2)ncn1CC(C)=O 2297508130 VLSJHGGRZFKVGP-UHFFFAOYSA-N 456.480 2.473 30 10 JEEE CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)C(=C(C)NC[C@H](O)COCc3ccco3)C(=O)[C@@]12C 2297591214 HYEGVHBQCURZSO-HAWMADMCSA-N 497.500 2.329 30 10 JEEE COc1cc(C=Nn2c(Cc3ccc(F)cc3)nnc2SCC(N)=O)cc(OC)c1OC 2329827108 HEYYKQYALAMAKD-UHFFFAOYSA-N 459.503 2.493 30 10 JEEE COc1ccc(NC(=O)CC2(O)CN(C(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2365286475 KTTVUNJVIYZPCZ-UHFFFAOYSA-N 462.352 2.305 30 10 JEEE C=CCn1c(=O)/c(=C/c2ccccn2)s/c1=C(/C#N)C(=O)Nc1ccc(OC)c(Cl)c1 9613059 IJVSOPZWOCGMAH-XYYFMYJZSA-N 452.923 2.295 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(S(=O)(=O)c4ccc(C)c(C)c4)CC3)cc2C1=O 14847050 DNAWACWBQVSNFI-UHFFFAOYSA-N 467.547 2.232 30 10 JEEE C=CCn1nc(C)c(/C=N/Nc2nnc(SCC(=O)Nc3cccc(NC(C)=O)c3)n2N)c1C 59829836 COJWRBYYSUZBIL-FOKLQQMPSA-N 482.574 2.126 30 10 JEEE COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccccc2OC)cc1 102490771 WQKUPPYMONIKPM-RKKARLDVSA-N 452.507 2.458 30 10 JEEE COc1ccc([C@@H]2/C(=C(/O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN(C)C)c(OC)c1 102492532 GUHJFBIPZBKNSR-RKKARLDVSA-N 468.506 2.458 30 10 JEEE COc1ccc(C(C)=NNc2nc3c(c(=O)nc(O)n3C)n2C[C@H](O)COc2ccccc2)cc1 253531940 OEBSEYZMZSBSPO-KRWDZBQOSA-N 478.509 2.120 30 10 JEEE NC(=NO)c1ccc(OCCn2cnc(I)c2I)cc1 312849944 LWQHWMXNWPKAGR-UHFFFAOYSA-N 498.062 2.266 30 10 JEEE C=CCNC(=O)CN1CCN(C(=O)c2ccccc2CSc2nc3nc(C)cc(C)n3n2)CC1 512718130 JDVIUOILPJLQCW-UHFFFAOYSA-N 479.610 2.093 30 10 JEEE Cc1cccc(C)c1-n1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cnn3ccccc23)c1=O 729670963 AFMWLXULXRRIOC-UHFFFAOYSA-N 457.559 2.191 30 10 JEEE C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@@H]1CSCN1C(=O)C(C)(C)Oc1ccc(Cl)cc1 730604692 DYDABTXJCALFPR-CJNGLKHVSA-N 483.974 2.342 30 10 JEEE CC#CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1NC(=O)C[C@@H]1C(=O)O 757206001 CLRREPHXOMJIPM-NHCUHLMSSA-N 461.474 2.024 30 10 JEEE Cc1nc(C#N)c(N2CCC(C(=O)NCc3ccccc3S(=O)(=O)NC(C)(C)C)CC2)o1 1125491807 FXNAKXKFGPCXEE-UHFFFAOYSA-N 459.572 2.464 30 10 JEEE C#Cc1cccc(NC(=O)NC(=O)CN2CCN([C@H](C)C(=O)Nc3cccc(F)c3)CC2)c1 1167911515 INIZRWORRCKVSS-QGZVFWFLSA-N 451.502 2.100 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CCCN2CCCCC2=O)c1 1286308496 AINUYKGGAWYCNS-UHFFFAOYSA-N 474.569 2.137 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cn3nc(C)cc3C)n2C[C@@]2(O)CCSC2)c1 1286311828 MXOWOQALSNPHMJ-DEOSSOPVSA-N 479.610 2.064 30 10 JEEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1286357059 QANWFOIJOPSMRR-OAQYLSRUSA-N 475.597 2.275 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1(S(C)(=O)=O)CCC1 1286418375 ASSLPZVGBBOLGE-UHFFFAOYSA-N 488.013 2.292 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2CCN2CCN(C)C(C)(C)C2)CC1 1286494016 KUKPRYVFRIRRRW-UHFFFAOYSA-N 469.678 2.003 30 10 JEEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2ccc(F)cn2)CC1 1286510834 BVDNPJSMVSRXCY-UHFFFAOYSA-N 454.579 2.367 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(Br)n1 1286521658 BNLJZQJJQYBQJL-IFXJQAMLSA-N 464.389 2.378 30 10 JEEE C=C(Cl)Cn1c(N2CCN(C[C@@H]3CN(C(C)C)CCO3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1286635160 KWOXPTMBYVAGDL-ZJSXRUAMSA-N 497.084 2.302 30 10 JEEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc(OCC)n2)CC1 1286700679 QCCCJCXYZRMDSG-GOSISDBHSA-N 460.604 2.267 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCOC[C@H]1OC 1286769265 PASPRBUSYSMIMN-HSALFYBXSA-N 495.621 2.277 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H](CC(C)C)C1 1286782511 XBDXIKUHEINYKP-SFHVURJKSA-N 474.631 2.370 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1286815472 VVWLRFRRMTXDKG-QGZVFWFLSA-N 478.962 2.469 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1286816686 MMHUTICKAKYXIL-OAQYLSRUSA-N 454.600 2.285 30 10 JEEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1286822980 JSWGFGQPATXTMF-GJZGRUSLSA-N 472.662 2.150 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1300268560 RZZPSUBYCVGBSQ-HZPDHXFCSA-N 465.480 2.037 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2CC(C)(C)N2CCOCC2)c1 1300336288 CCFSPDSIKYAWOH-OAQYLSRUSA-N 466.586 2.297 30 10 JEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C2CC2)C1 1300339981 UERNJNVPVDYXKJ-YTQUADARSA-N 494.662 2.431 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1C[C@@H](c1ccc(C)cc1)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1300497383 YQADPEYZHCXTOA-ZEQRLZLVSA-N 499.681 2.485 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H](OC)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1300498574 LVDLLCJGVGDEEA-FCHUYYIVSA-N 465.579 2.278 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CCCN1S(C)(=O)=O 1300625633 JLFMVZRQSHMTJS-RBUKOAKNSA-N 494.662 2.276 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1CCC[C@H](O)C1 1300647779 ABWZNAZPCWBNKI-ICSRJNTNSA-N 459.978 2.499 30 10 JEEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1CCC[C@@H]1OC 1300666127 UMAUYQVORSIHFI-SFTDATJTSA-N 453.591 2.353 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C3(c4ccccc4)CCC3)n2CC(=O)N(C)CC)CC1 1300716496 MWFRRZYTMCRXRS-UHFFFAOYSA-N 462.598 2.192 30 10 JEEE C=C(Br)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1300859137 ZVLCJMFOKIWZON-GOSISDBHSA-N 450.341 2.079 30 10 JEEE C=C(C)COCCn1c(-c2cccc(C)n2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1300990716 GPWNQZOMTYJJHB-UHFFFAOYSA-N 467.618 2.376 30 10 JEEE C=CCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1301149609 BTOKBWOEUKKZAA-IBGZPJMESA-N 454.623 2.414 30 10 JEEE C=CCn1c(N2CCN(CC(=O)N(C)C3CCCCC3)CC2)nnc1[C@]1(OCC)CCOC1 1301474000 QHESRKHRIWNGML-DEOSSOPVSA-N 460.623 2.029 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(c2ccc(F)c(OC)c2)CC1 1301578526 CTCSOHFWTBAZJU-UHFFFAOYSA-N 474.562 2.348 30 10 JEEE CN(CC1CCC1)c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)N1CCSCC1 1314790792 BKGZGGBUDCQBQD-UHFFFAOYSA-N 460.629 2.432 30 10 JEEE CS(=O)(=O)N1CC[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N(CCC#N)CC2CC2)C1 1316351183 AMGXOYCUGAFQPF-LJQANCHMSA-N 453.572 2.228 30 10 JEEE CS[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1316385770 CHOKFKYMTLPOTN-FXAWDEMLSA-N 470.599 2.308 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@H]1CCCCS1(=O)=O 1358876666 OKVDFMFYFJDUHN-RDJZCZTQSA-N 462.572 2.396 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Br)n1C[C@H](F)COC)[C@H]1CCS(=O)(=O)C1 1358959899 RPYSJFYQDDKCTJ-GJZGRUSLSA-N 485.379 2.319 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCCn2cc(Br)cn2)CC1 1359028383 QBMGLCHCBYSZBS-UHFFFAOYSA-N 491.438 2.001 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H]2CCCO2)CC1 1359040322 PGGFQIMKGHOYQC-FQEVSTJZSA-N 484.988 2.006 30 10 JEEE C#CCSCCn1c(-c2ccc(CC)cc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1359052036 RXFVKABBDRRHDM-UHFFFAOYSA-N 468.627 2.448 30 10 JEEE C#CCSCCn1c(N2CCN(c3ccnc(C)n3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1359062048 UTDPVSHTGUNNBT-HSZRJFAPSA-N 471.631 2.110 30 10 JEEE C=C(Cl)Cn1c(N2CCC(N(CC)S(C)(=O)=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1359157107 YVCAELCDGVPCNK-HXUWFJFHSA-N 476.043 2.322 30 10 JEEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1359215819 JUQODBFQJROUKT-GOSISDBHSA-N 453.609 2.451 30 10 JEEE C=CCCOCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@]2(CCOC2)C1 1359223714 UKFIAAFBKUGQAT-HSZRJFAPSA-N 475.615 2.405 30 10 JEEE C=CCn1c(CC(C)(C)C)nnc1N1C[C@@H]2[C@@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1359287938 GXULMEJQWBMMJH-PMPSAXMXSA-N 453.609 2.179 30 10 JEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1359343030 KRDZIQSURRJDOJ-ZDUSSCGKSA-N 488.561 2.471 30 10 JEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)c1 1440615378 IFNNVXUVWBRFPH-UHFFFAOYSA-N 457.527 2.019 30 10 JEEE CC#CCS(=O)(=O)c1cccc(C(=O)N(CC)CC(=O)Nc2ccc3c(c2)OCCO3)c1 1463955756 YMBDNMPYYHVDEH-UHFFFAOYSA-N 456.520 2.356 30 10 JEEE CN(Cc1ncc(Cl)n1C)c1nnc(-c2ccc(C#N)cc2)n1CC1(C(N)=O)CCOCC1 1503513484 GERJWYNOCZRGAK-UHFFFAOYSA-N 468.949 2.122 30 10 JEEE COc1cccc(-c2nnc(N(C)[C@@H](C)CC#N)n2CCS(=O)(=O)N2CCSCC2)c1 1504329017 GNPQIRZNSSOCGV-INIZCTEOSA-N 464.617 2.071 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2[nH]c(C)c(C)c2c1 1507539317 UMSBFDSPTARXRK-YCRPNKLZSA-N 470.599 2.215 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1507626238 DPWKVIHBDOVXGA-GOSISDBHSA-N 489.598 2.105 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1cc(OC)c(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1507630641 DWTJINVTEKJSPZ-LJQANCHMSA-N 497.577 2.041 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CCN1CCCC(C)(C)C1)[C@@H]1CCS(=O)(=O)C1 1507633364 CYGQRGXUXMKLNV-OAQYLSRUSA-N 470.643 2.013 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CCCCN1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1507635672 UNSGWLNDUQKLHH-QHCPKHFHSA-N 484.670 2.403 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@]1(O)CCO[C@H]1C 1507676873 RHUOAWLJGBJBSJ-RGKFVRLKSA-N 457.575 2.052 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@](C)(O)C2CC2)CC1 1507734617 QWCIGMFSCVZYSX-OAQYLSRUSA-N 475.391 2.163 30 10 JEEE C#CCSCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)CCC(=O)NC 1507750673 BPYFXSQQPYDBDA-UHFFFAOYSA-N 464.636 2.331 30 10 JEEE C#CCSCCn1c(Cc2ccccc2C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1507754051 RRQQMSDZCHTUQT-LJQANCHMSA-N 452.584 2.016 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1507796410 AFBNSGZJFRSFSA-OFNKIYASSA-N 484.649 2.040 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CCN(C2CCOCC2)CC1 1508133823 MEKHKBIBRGEODI-UHFFFAOYSA-N 473.643 2.409 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N(CC)C[C@@H]1CCCO1 1508135837 MTWHANVZBIIVIU-SFHVURJKSA-N 462.572 2.322 30 10 JEEE C=CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1508149806 CWFKFRYDXQYSML-PKOBYXMFSA-N 475.640 2.325 30 10 JEEE CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCOC[C@@H](C2CCC2)C1 1516810857 BUCFYATZVYBCNL-FQEVSTJZSA-N 473.599 2.416 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1CCc1ccc(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1539215900 LFQHBCOXCFQUSN-FQEVSTJZSA-N 481.578 2.227 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](c2ccccc2OC)N2CCCC2)CC1 1539428681 VORVDQDCZLTSJK-JOCHJYFZSA-N 479.629 2.017 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2CCC(=O)N[C@H](C)CC)CC1 1539476028 QQUIECSHPLEELE-GOSISDBHSA-N 466.586 2.224 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CC[C@](C)(CC)O2)CC1 1539489053 QAKPJMSVKLMMQD-BWKNWUBXSA-N 467.618 2.453 30 10 JEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CC(=O)NC2CCCC2)CC1 1539515091 XJEXIVTYTPWRMW-LJQANCHMSA-N 458.632 2.261 30 10 JEEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1539526682 RKHDKAZHZMNVGS-UHFFFAOYSA-N 476.672 2.444 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccc(OCC)cc2C1 1539704664 GPZFZAWSNPRLTD-HXUWFJFHSA-N 461.588 2.149 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)c1cc(OC)cc(OC)c1 1539803203 HAEAHNFZKIISQX-KRWDZBQOSA-N 471.967 2.149 30 10 JEEE C=C1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCCN(C)S(=O)(=O)CC)CC1 1539847082 JNSCCLFLRFJMHA-UHFFFAOYSA-N 471.587 2.422 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)CN1CCOCC1 1540129825 ZWXMFNWFUCLUNH-OFNKIYASSA-N 498.653 2.213 30 10 JEEE CC(=O)N1CC[C@@H](CN(C)c2nnc(COc3ccc(C#N)cc3)n2CCN2CC=CCC2)C1 1540947654 SCHANUAKRSCRDJ-QFIPXVFZSA-N 463.586 2.295 30 10 JEEE C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCO[C@H](C#N)C2)n1CC1(S(C)(=O)=O)CC1 1541975982 DQLPYOOUSVSRTD-RHSMWYFYSA-N 465.963 2.377 30 10 JEEE Cn1cnnc1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 1554352420 GMGMXJBIVYVWRU-LJQANCHMSA-N 491.600 2.284 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 1588029755 LPXBVHUHMNPIHG-GOSISDBHSA-N 484.969 2.254 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1Cc1c(C)nn(C)c1C)[C@H]1CCS(=O)(=O)C1 1588070119 WYCAVWXQSGITOS-NRFANRHFSA-N 466.611 2.089 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(F)cn1)[C@@H]1CCS(=O)(=O)C1 1588073798 FAVHEUPAKBMWNS-VAMGGRTRSA-N 475.590 2.406 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 1588074112 JKFADLLBYAZXCB-LJQANCHMSA-N 466.586 2.377 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(CC)cc3)n2CCCC(=O)N(C)C)CC1 1588898783 BVPXEYSGRWOVOD-UHFFFAOYSA-N 450.587 2.342 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCc2ccn(C)n2)CC1 1588899887 ZHXDSVQDSHRFFS-UHFFFAOYSA-N 483.523 2.489 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(Cl)cc2F)CC1 1588923519 CALJHMFRCRIFNL-UHFFFAOYSA-N 455.925 2.485 30 10 JEEE C=C(C)COCCn1c(C(C)C)nnc1N1C[C@@H]2[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1593696374 OOJKNDOOWDXGFF-FGTMMUONSA-N 483.635 2.121 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCSCC(C)C)CC1 1594241584 VKXNTCMFKOZTSG-SFHVURJKSA-N 457.666 2.403 30 10 JEEE C=CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1594720164 FAOLRKMHVXEDTD-HNNXBMFYSA-N 457.560 2.030 30 10 JEEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)NC2CCCCC2)CC1 1594807749 YORBEAHCLDKFSA-HXUWFJFHSA-N 473.622 2.423 30 10 JEEE C=CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@H](C)C(=O)NC 1595883904 DDBZFYLOCWPVTG-DLBZAZTESA-N 482.651 2.324 30 10 JEEE C=CCn1c(S)nc2cc(C(=O)N3CCC[C@H](CNC(=O)C(F)(F)F)C3)ccc2c1=O 1641623853 GLCBFSDCOPGZGS-GFCCVEGCSA-N 454.474 2.402 30 10 JEEE C[C@H]1CN(CCCn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H](C(N)=O)C2)C[C@@H](C)O1 1649557702 GRXJNAZBEPPJHU-UEXGIBASSA-N 451.575 2.018 30 10 JEEE COc1cc(C#N)ccc1S(=O)(=O)N1CCNC(=O)[C@H]1c1ccc(OC(F)(F)F)cc1 1663354475 CKRRQLOYAMNHOH-QGZVFWFLSA-N 455.414 2.327 30 10 JEEE C=C(C)CN1CCC(NC(=O)N2CC[C@@H](N3C(=O)O[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]43)C2)CC1 1668488448 OKRUKSNFVPJZRO-AQNXPRMDSA-N 477.606 2.251 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CCN/C(O)=C1\N=CC=CC1=O 1689833484 KPMXVUHELUKBDN-XCHVRBFASA-N 458.320 2.020 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1CCn1cc(C)cn1)[C@@H]1CCS(=O)(=O)C1 1689983912 IKIAFWDXDQQCNU-GOSISDBHSA-N 489.001 2.439 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H]1CCCN(C(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1689985973 GJEHJVLPCUFIOZ-WOJBJXKFSA-N 458.632 2.031 30 10 JEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@@H](c1ccc(C)cc1)N1CCOCC1 1690053066 WWRFVEQAEQNPLL-DEOSSOPVSA-N 474.609 2.245 30 10 JEEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCc1ccc(O)cc1 1690101342 XMBKNFLXTBRDJU-UHFFFAOYSA-N 468.583 2.273 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCS(=O)(=O)C(C)(C)C 1690108105 PIYIQQCBANNPPR-QZTJIDSGSA-N 454.637 2.496 30 10 JEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2ccc(OCC)cc2C1 1690155967 QOXGXUQUAUDYBX-INIZCTEOSA-N 463.629 2.216 30 10 JEEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1690218344 CSJSKFIYMGTMDY-UHFFFAOYSA-N 486.436 2.360 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(CCOC)C(=O)C1 1690240028 AMVJULJOLJNVPV-SIKLNZKXSA-N 455.559 2.230 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc3ccccc3n2)nnc1N(C)CCNS(C)(=O)=O 1690241843 YEMWTSWWULQNIJ-NQIIRXRSSA-N 470.599 2.460 30 10 JEEE C=CC1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC[S@@](=O)CC)CC1 1690402858 SGSMTOZJEZVAOZ-PMERELPUSA-N 465.645 2.366 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 1690655470 WIICZBOUVVUDRT-SFHVURJKSA-N 468.533 2.055 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1690720150 ZQFJDWKSHNBQLN-RBUKOAKNSA-N 476.599 2.426 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCN(Cc2cc(C)on2)CC1 1690725599 VQTVDDHYUIYUSO-UHFFFAOYSA-N 484.626 2.397 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCC(=O)Nc1ccccc1 1692780217 CEYGXNMUTRVOJV-KKSFZXQISA-N 459.576 2.047 30 10 JEEE C[C@@]1(C#N)CCCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCn2ccnn2)C1 1692842219 BLRLEDIYXVVCJG-NRFANRHFSA-N 454.560 2.160 30 10 JEEE Cc1cccc(OCc2nnc(N3CCN(c4nccnc4C#N)C[C@H]3C)n2C[C@H](C)N(C)C)c1 1693224913 DFRPYPYMQJMLGI-VQTJNVASSA-N 475.601 2.492 30 10 JEEE CN(Cc1cccc(C#N)c1)c1nnc(C(=O)Nc2ccccn2)n1CCCN1CCOCC1 1696688118 HVPVWOCTPSODBJ-UHFFFAOYSA-N 460.542 2.156 30 10 JEEE N#Cc1ccc(OCc2nnc(N3CCNC(=O)C3)n2Cc2cccc(C(F)(F)F)n2)cc1 1698488300 GOEJTYHECLCAHM-UHFFFAOYSA-N 457.416 2.127 30 10 JEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc(OC)c2)CC1 1705517103 OTRHONUSCOOCCB-LJQANCHMSA-N 457.600 2.319 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@H]1CN(Cc2ccccc2)CCO1)[C@H]1CCS(=O)(=O)C1 1705560413 KPETXPHGAOSVAF-VXKWHMMOSA-N 485.654 2.103 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC1(COC)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1705565248 HMBLWHZKIDJTLK-RTBURBONSA-N 450.605 2.006 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1Cc1ccc(N(CC)CC)nc1)[C@H]1CCS(=O)(=O)C1 1705565355 UGYYXFCSYKFQNF-FQEVSTJZSA-N 481.626 2.200 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1ccc(NC(C)=O)nc1 1705580864 PJNGVDPVLAZNEI-UHFFFAOYSA-N 452.478 2.068 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@]1(OC)CCOC1 1705595682 BQAOUBNKTBNPFG-SANMLTNESA-N 474.565 2.333 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(Br)s2)n1Cc1cn(C2COC2)nn1 1705623282 MIMRRVOWTWARFW-UHFFFAOYSA-N 478.376 2.066 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H](c2cccs2)N(C)C)CC1 1705632609 WFPFEGUBGVBXJM-LJQANCHMSA-N 457.648 2.316 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(COCC(F)(F)F)cc2)CC1 1705638367 IHMHGAHTFKRXHD-LJQANCHMSA-N 476.503 2.112 30 10 JEEE C#CCN1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2C[C@@](C)(O)[C@@H](C)CC)CC1 1705638768 WHOMVWRCWQBLNA-AFMDSPMNSA-N 477.613 2.227 30 10 JEEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(=O)CCc2ccccc2)CC1 1705725541 HFBRWIQAMGYLNT-NRFANRHFSA-N 471.627 2.428 30 10 JEEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1705738227 PYZUAIIQXYRMSL-IBGZPJMESA-N 487.674 2.359 30 10 JEEE C=CCCCn1c(-c2cccn2C)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1705815890 MWXBXTOXGFLTSV-UHFFFAOYSA-N 453.591 2.190 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1705932670 XQOZTZGXVSQOBG-UHFFFAOYSA-N 483.554 2.176 30 10 JEEE CCN1CCN(C[C@@H](C)Cn2c(-c3nn(C)c(=O)c4ccccc34)nnc2N(C)C[C@@H](C)C#N)CC1 1710295443 HWBSQKPHWIZNPP-VQTJNVASSA-N 491.644 2.061 30 10 JEEE CCOC1CC(O)(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCN2C[C@H](C)O[C@H](C)C2)C1 1710603021 FZXJYQHHMWRJLQ-YGKQPQLSSA-N 468.602 2.292 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCC[C@@H]1OC)[C@H]1CCS(=O)(=O)C1 1722362807 BYFKFDVQYZLECX-ZVZYQTTQSA-N 496.431 2.478 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1C[C@@H](OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1722363414 FQWVTAINFOFUNE-FUHWJXTLSA-N 496.431 2.098 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1CC[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1722370022 KIJHDBQGXVZKAT-ZWKOTPCHSA-N 462.547 2.050 30 10 JEEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1CCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1722371511 WXLFMRLQXYODAQ-LJQANCHMSA-N 489.001 2.342 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCc2cc(C(F)(F)F)ccn2)CC1 1722432512 AIYIKMBPLCYFST-QFIPXVFZSA-N 478.519 2.342 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCOCCC=C)CC1 1722441197 NMJYFCPCDVBEFX-BGYRXZFFSA-N 458.607 2.397 30 10 JEEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1722463003 VMFQJHBJNKVJLX-JOCHJYFZSA-N 485.639 2.122 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC(NC(=O)COC)CC2)nnc1[C@]1(OC(C)C)CCOC1 1722499250 IDLPEDOFZLVRAF-WPWBMXPQSA-N 491.633 2.031 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1722693662 WLXGZLRLWWXJCJ-HNNXBMFYSA-N 478.395 2.079 30 10 JEEE CC(=O)NCC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCOC2=O)CC1 1722838079 DRKFBMNPVSNVKJ-UHFFFAOYSA-N 451.531 2.012 30 10 JEEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC2CC2)C[C@@H](C(F)(F)F)O1 1726722062 CKWRFKUTBGXAKR-KDOFPFPSSA-N 478.475 2.411 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1CC1(O)CCCC1)[C@@H]1CCS(=O)(=O)C1 1740628868 VNEUVXBQMHWHJS-LJQANCHMSA-N 458.584 2.097 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1OCCC1(C)C 1740685258 DCWPQLSGIWMXSD-OALUTQOASA-N 477.606 2.488 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](OCC(C)C)C1 1740752016 RFZCSCBFGJNSTG-RDGPPVDQSA-N 455.625 2.121 30 10 JEEE C=CCC(C)(C)Cn1c(-c2noc3c2COCC3)nnc1N1CCN(CC(=O)NC(C)C)CC1 1740847689 QQYXUWJNKRNLEV-UHFFFAOYSA-N 471.606 2.255 30 10 JEEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1740996723 QREJTSNGMDTDFY-KRWDZBQOSA-N 495.613 2.242 30 10 JEEE C[C@@H]([C@@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1CCN1CCSCC1)S(C)(=O)=O 1741139128 AUMWLJWJKLOTNG-SJORKVTESA-N 462.645 2.123 30 10 JEEE C[C@@]1(C#N)CCCN(c2nnc(-c3ccccn3)n2CCc2ccc(S(N)(=O)=O)cc2)C1 1741983383 AVJLWDUXLVYQOX-QFIPXVFZSA-N 451.556 2.360 30 10 JEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(=O)N(C)C1CCCCC1 1748770772 FLZJKDSJYKQACJ-UHFFFAOYSA-N 471.631 2.407 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCCN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1748808292 JJIZAHNQWMSWJD-QFIPXVFZSA-N 466.611 2.319 30 10 JEEE C#CCN(c1nnc(-c2cn(C)c3ccccc23)n1C[C@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1748812556 WGWUYURQXOGSDQ-GAJHUEQPSA-N 455.584 2.225 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1C[C@@H](C)N1CCN(c2ccccc2)CC1)[C@@H]1CCS(=O)(=O)C1 1748817158 GAGHHDHXHBJHPJ-ISKFKSNPSA-N 498.697 2.314 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc3cccnc23)n1CCS(=O)(=O)N1CCSCC1 1748918933 TXSWIINWQFYTLV-UHFFFAOYSA-N 470.624 2.331 30 10 JEEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@@H](C)CN2CCOCC2)CC1 1748999048 GIWXCOURLJPQIL-QFIPXVFZSA-N 466.630 2.197 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCO[C@@H]2CCCC[C@@H]2C)CC1 1749001133 JNZSZJLORYIVHH-PZJWPPBQSA-N 493.612 2.487 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(OC)c(Cl)c2)CC1 1749001458 RUCKHAVDTDKPDO-UHFFFAOYSA-N 472.977 2.092 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1749006496 PQVFTMSURVAMJV-FQEVSTJZSA-N 478.597 2.178 30 10 JEEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1749609653 YMAVWAQWUVIMTC-SFHVURJKSA-N 453.572 2.430 30 10 JEEE CS(=O)(=O)NC[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCC=CO2)C1 1750214183 HTSIBMNYZVKJRP-CTNGQTDRSA-N 486.598 2.187 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCc1nc(C)no1 1760116582 ILQSKSPICVYVHP-WBVHZDCISA-N 459.551 2.369 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1CC(=O)N(C)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 1760183961 FOGBJWYXQPAEOA-FQEVSTJZSA-N 499.637 2.372 30 10 JEEE C#CCN(c1nnc(-c2cnn(-c3ccccc3)c2)n1CC(C)(C)OC)[C@H]1CCS(=O)(=O)C1 1760188698 LUNKHNKNFLUAOY-FQEVSTJZSA-N 468.583 2.183 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCc1cc(F)cc(F)c1)[C@@H]1CCS(=O)(=O)C1 1760193461 ZUDPHLAXRXPZKR-RTBURBONSA-N 450.511 2.277 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCC[C@H]1OC 1760240249 LQQZSRWIRNAOQP-ILZDJORESA-N 463.579 2.482 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1(S(C)(=O)=O)CC1 1760253440 QFFXNHQLZCFWTL-KRWDZBQOSA-N 481.619 2.013 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H](CC)OC)CC1 1760264724 CTNVPYSFUSDMSX-HXUWFJFHSA-N 487.004 2.252 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCOc1cccc(OC)c1 1760288901 LAKCXDBMPHQNPN-VGOFRKELSA-N 461.588 2.358 30 10 JEEE C=C(Br)Cn1c(N(C)CCN2C[C@H](C)O[C@H](C)C2)nnc1[C@]1(OCC)CCOC1 1760313682 DINBWKYWTUBWBF-QKLQHJQFSA-N 472.428 2.384 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1760317258 CVJAZASJJNREJB-GMLUQMLDSA-N 471.514 2.195 30 10 JEEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(c2nc(-c3ccccn3)no2)CC1 1760341737 TWZFSNQVINRKQH-OAHLLOKOSA-N 472.575 2.293 30 10 JEEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1760431410 OXQOTVFHWFQBCW-UHFFFAOYSA-N 460.604 2.202 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(C)nc3ccccc23)nnc1N1CC[C@H](S(C)(=O)=O)C1 1760550676 GDXQZFNHMPOWSH-KRWDZBQOSA-N 489.623 2.026 30 10 JEEE CC1CCN([C@@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CC(=O)N2CCOCC2)CC1 1762948032 GUOHPUWDKMBPHJ-FQEVSTJZSA-N 465.602 2.232 30 10 JEEE CC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](C(=O)NC)C1)NC(=O)OC(C)(C)C 1764224476 AXCAXNUFJMQTKW-MOPGFXCFSA-N 483.573 2.071 30 10 JEEE COc1cccc(C2(Cn3c([C@H]4CN(S(C)(=O)=O)CCO4)nnc3N(C)[C@H](C)CC#N)CC2)c1 1768766887 FKLJECBFDNVFFJ-YLJYHZDGSA-N 488.614 2.090 30 10 JEEE Nc1cccc(C(=O)C2=C(O)C(=O)N(CCCN3CCCC3=O)[C@H]2c2ccc(O)c(O)c2)c1 1862557752 PEBWGJJOGQSFHF-NRFANRHFSA-N 451.479 2.271 30 10 JEEE O=C(NCCCCN1CCCC1)[C@H](Cc1ccccc1)N=C1NS(=O)(=O)c2ccccc21 1869932085 SYQVWLOTCXMIGT-NRFANRHFSA-N 454.596 2.329 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)COc2cn(CC=C)c(CSCCO)cc2=O)nc1C 1870226789 OEQTWPXWSMDZJP-UHFFFAOYSA-N 479.580 2.385 30 10 JEEE C=CCn1cc(OCC(=O)NC[C@H]2CCCO2)c(=O)cc1CNc1ccc(OC)c([N+](=O)[O-])c1 1870983232 OPDSXMFVARWFDK-GOSISDBHSA-N 472.498 2.237 30 10 JEEE CC(C)C[C@@H](C(=O)O)N1C(=O)c2ccc(C(=O)Nc3c(C#N)cnn3-c3ccccn3)cc2C1=O 1873681426 BTWIHNVAOJCGDK-SFHVURJKSA-N 472.461 2.487 30 10 JEEE C=CCOc1ccccc1OCC(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3F)C2)CC1 1873780916 GSUWWZFSRQBPMZ-LJQANCHMSA-N 481.524 2.493 30 10 JEEE NC(=O)CSc1nnc([C@H]2CC(=O)N(Cc3ccccc3)C2)n1/N=C/c1ccc([N+](=O)[O-])cc1 1874210215 NRCSBNHIUATKJL-PKOLSWDWSA-N 479.522 2.162 30 10 JEEE C=CCn1c(C(=O)N2CCN(C(C)=O)CC2)cc2c(NCCCCN(CC)CC)ncnc21 1875228797 FDXYZRRIVJABLP-UHFFFAOYSA-N 455.607 2.456 30 10 JEEE C=CCn1c(C(=O)N2CCN(C(C)=O)CC2)cc2c(NCCOc3ccc(OC)cc3)ncnc21 1875231461 OEPQIJDWUBBXBT-UHFFFAOYSA-N 478.553 2.421 30 10 JEEE C=CCNC(=O)c1nc(C(=O)N2CC[C@@H](COc3ccc4nnc(C(F)(F)F)n4n3)C2)cs1 1890896018 ZCGPIBQYCMGWBD-LLVKDONJSA-N 481.460 2.057 30 10 JEEE C[C@H](COCc1ccccc1)NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2247952705 POKNQGLPKADUCJ-OAHLLOKOSA-N 452.407 2.467 30 10 JEEE CC(C)(C)OC(=O)N[C@@]1(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)s2)CCCOC1 2256679214 URICLJCUNPNPRY-FQEVSTJZSA-N 453.370 2.455 30 10 JEEE CN(C[C@H]1COCCN1C(=O)OC(C)(C)C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2267157803 BJYMDJDJHWAQLA-AWEZNQCLSA-N 467.397 2.150 30 10 JEEE Cn1nc(C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C2CC2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2267184505 NCEFIFKCFKANAK-ZDUSSCGKSA-N 468.791 2.406 30 10 JEEE COCC[C@@H](CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)NC(=O)OC(C)(C)C 2267378174 KOYHEGZCGMDAKY-AWEZNQCLSA-N 490.453 2.255 30 10 JEEE CCN(CCCNS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)OC(C)(C)C 2267704484 OKIZOVDOSWYNKO-UHFFFAOYSA-N 469.413 2.306 30 10 JEEE COC[C@@H](ONC(=O)OC(C)(C)C)C(=O)N(C)Cc1sccc1B1OC(C)(C)C(C)(C)O1 2268630490 LGDXRBCDLSHQDG-OAHLLOKOSA-N 470.397 2.477 30 10 JEEE CC(C)(C)OC(=O)N[C@@]1(C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)CCCOC1 2268642450 GEWNMGLVNUOBIE-NRFANRHFSA-N 467.397 2.132 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CC(C(=O)NCc2sccc2B2OC(C)(C)C(C)(C)O2)=C[C@H]1O 2268715340 POIGCMSZKPALAU-JKSUJKDBSA-N 464.393 2.248 30 10 JEEE CC1(C)OB(c2ccc(C(=O)NC[C@]3(O)CCN(Cc4ccccc4)C3)cc2F)OC1(C)C 2281789805 GCNGCLJYAYLMSP-RUZDIDTESA-N 454.351 2.492 30 10 JEEE Cc1c(C(=O)N[C@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281796329 LEVGWEKGACQMIU-CVEARBPZSA-N 462.400 2.451 30 10 JEEE C[C@H]1CC[C@@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2281825837 BZYYGTCMNMVJIP-HOTGVXAUSA-N 462.400 2.485 30 10 JEEE CC(C)(C)OC(=O)N[C@]12CCC[C@]1(F)CN(C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C2 2281986731 VGSXVKTYGIBPHS-VXKWHMMOSA-N 464.347 2.320 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2C[C@H]2[C@H]1CNC(=O)OC(C)(C)C 2282012529 XGHXJIMDPLKUFR-ARFHVFGLSA-N 460.384 2.013 30 10 JEEE Cc1nc(C(=O)NC[C@]2(O)CCCN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2282017983 RCPSEBPHUZYUCO-JOCHJYFZSA-N 481.424 2.243 30 10 JEEE C[C@H]1CCC[C@H](CNC(=O)OC(C)(C)C)N1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282173070 DTVWPPGCHHBKFZ-LSDHHAIUSA-N 463.388 2.022 30 10 JEEE CO[C@H]1C[C@@H](CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)N(C(=O)OC(C)(C)C)C1 2282174755 RZPHPXFMYKEBEG-IRXDYDNUSA-N 461.368 2.135 30 10 JEEE CO[C@@H]1CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2F)C[C@@H]1NC(=O)OC(C)(C)C 2282407966 APPUSWZLQPVLQS-ZWKOTPCHSA-N 464.343 2.489 30 10 JEEE CC(C)(C)OC(=O)NCC1(CO)CCN(C(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)CC1 2282523772 COMIHRODGLPPFT-UHFFFAOYSA-N 481.424 2.182 30 10 JEEE CCn1cc(C(=O)NC[C@@H]2[C@H]3C[C@@H]3CN2C(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2282545556 XDIUIMKMBXPJEN-HLLBOEOZSA-N 460.384 2.187 30 10 JEEE CO[C@@H]1C[C@@H](CNC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)N(C(=O)OC(C)(C)C)C1 2282664445 CTHOVRGKEQCBLH-JKSUJKDBSA-N 461.368 2.135 30 10 JEEE Cc1cc(C(=O)N2C[C@@H](O)C[C@@H]2CNC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2282695843 UOUBQYUDXIPACR-MSOLQXFVSA-N 460.380 2.394 30 10 JEEE CO[C@@H]1CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2O)C[C@H]1NC(=O)OC(C)(C)C 2282794110 HFBWKTUADKFZDL-SJLPKXTDSA-N 462.352 2.056 30 10 JEEE CC(C)[C@H](CN(C)Cc1ccccc1)NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282853329 BIBJUSMXGYMJKP-IBGZPJMESA-N 476.452 2.154 30 10 JEEE CN([C@H]1CCCN(Cc2ccccc2)C1)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282858577 ZEKBWBHANHIROU-IBGZPJMESA-N 474.436 2.004 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@]2(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(O)cc2O)C1 2282969107 YXDDQXPTYVCLSS-ZAMGYDSWSA-N 460.336 2.136 30 10 JEEE CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2cccc(B3OC(C)(C)C(C)(C)O3)c21 2283949739 CBIBSLNKCICPTN-SFHVURJKSA-N 459.396 2.330 30 10 JEEE COCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)c(C)n1 2283958541 AQCMTJYDYOKMFG-MRXNPFEDSA-N 464.372 2.343 30 10 JEEE CC(C)C=NC(=NC(=CC=C[C@@H](O)C[C@@H](O)CC(=O)O)c1ccc(F)cc1)N(C)S(C)(=O)=O 2294821441 CVJNMHLWDLKSEL-RTBURBONSA-N 483.562 2.284 30 10 JEEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@H](CCO)COCc3ccccc3)s2)OC1(C)C 2320504743 YNTMNNZCYVWQNW-QGZVFWFLSA-N 467.418 2.293 30 10 JEEE CCOc1ccccc1OCc1nnc(SCC(N)=O)n1N=Cc1ccc(O)c(OC)c1 2326823140 LSTTYYPKHOBBFB-UHFFFAOYSA-N 457.512 2.430 30 10 JEEE COc1ccccc1CCc1nnc(SCC(N)=O)n1N=Cc1ccc2c(c1)OCCO2 2328685550 PUXXJSARZAUWHA-UHFFFAOYSA-N 453.524 2.303 30 10 JEEE Cc1nc(C(=O)N=c2[nH][nH]cc2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2352398658 VYHCQSADHAZMCU-UHFFFAOYSA-N 463.369 2.173 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)[C@@]2(CCOC2)C1 2362579472 ZQERJNZCONWBJI-FPTDNZKUSA-N 479.408 2.341 30 10 JEEE COc1nc(N2C[C@H]3[C@@H](C2)OCCN3Cc2ccccc2)ccc1B1OC(C)(C)C(C)(C)O1 2365343923 HDYPULQGPUBUPK-LEWJYISDSA-N 451.376 2.479 30 10 JEEE CCN(Cc1ccccc1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCN(CCC#N)CC2)cc1 20059779 WSWJFEICCMKCOP-UHFFFAOYSA-N 476.624 2.117 30 10 JEEE C=CCNC(=O)CN1CCN(Cc2nc(=O)c3sc(-c4ccc(OC)cc4)cc3[nH]2)CC1 27560305 KQNWBHWJGITJGS-UHFFFAOYSA-N 453.568 2.080 30 10 JEEE C=CCn1c(SCC(=O)N2CCN(Cc3nnc(CC)o3)CC2)nnc1-c1cccc([N+](=O)[O-])c1 59789417 VVKWFMVAAKZLFL-UHFFFAOYSA-N 498.569 2.421 30 10 JEEE CCOC(=O)c1[nH]c(C)c(/C(O)=C2/C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cccnc2)c1C 103105267 KBPINALLIYUHDJ-MBDQKHHZSA-N 496.564 2.347 30 10 JEEE C=CCNC(=O)[C@@H](C)Sc1nnc(N/N=C/c2c(C)nn(-c3ccccc3)c2N2CCOCC2)[nH]1 253562148 CXRJNRLCDDSJBQ-SCELWYEFSA-N 495.613 2.364 30 10 JEEE C=CCN(C(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1nc(C(=O)OCC)cs1 409835117 YRZKAUJRBGCBQF-UHFFFAOYSA-N 465.553 2.174 30 10 JEEE CNC(=O)C[C@H]1S/C(=N/CCc2ccccn2)N(CCc2cc(OC)ccc2OC)C1=O 726109726 BBXXMXFEXSMGNC-UAPGPWSHSA-N 456.568 2.320 30 10 JEEE COc1ccc(C=NNc2nnc(SCC(=O)Nc3ccc(F)cc3F)n2N)cc1OC 1084329547 ZKSILJNCDAWYHD-UHFFFAOYSA-N 463.470 2.464 30 10 JEEE C=CCN1CC[C@@H](N(C)C(=O)c2ccccc2NS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1=O 1139239441 PXRAXDYUWCOUIB-LJQANCHMSA-N 458.496 2.255 30 10 JEEE C#C[C@H](NC(=O)NCCCN1CCN(c2ncccn2)CC1)c1ccc(Br)cc1 1223116139 LADVZIKUMUJBBF-IBGZPJMESA-N 457.376 2.425 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H](C)c1ncc(C)s1)[C@H]1CCS(=O)(=O)C1 1286398678 MKRXPCOIPUMRLC-BVBHFADKSA-N 493.655 2.197 30 10 JEEE C=C(Br)Cn1c(COc2ccc(OC)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1286546640 CVWJSDUOUGSIQT-HXUWFJFHSA-N 462.348 2.491 30 10 JEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2nc3cc(OC)ccc3n2C)CC1 1286651395 CFMRJRBKSMTMPD-OAHLLOKOSA-N 473.603 2.234 30 10 JEEE C=CC1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(OCCO)c(OC)c2)CC1 1286653319 UOEMRVZWUBSOAL-UHFFFAOYSA-N 455.559 2.345 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCN(Cc2cnc(C)s2)CC1 1286816253 DPLSUPVWSVNSRZ-INIZCTEOSA-N 452.650 2.480 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@@H](C)[C@@H](C)C1 1286818263 FGSWESALKPVXNT-SJORKVTESA-N 480.660 2.321 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1286822063 GLCNJUSCJBNFGA-IUODEOHRSA-N 479.550 2.391 30 10 JEEE C=CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1286830026 IMGGFSRRERXDHL-MRXNPFEDSA-N 488.639 2.125 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(C(N)=O)CCOCC1 1286966706 BBAQPGQHBRRPRG-ROUUACIJSA-N 489.621 2.271 30 10 JEEE C[C@H]1CN(CCCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCO[C@H](C#N)C2)CCCO1 1291293975 CKNLTSFZJOPPKJ-DOIPELPJSA-N 460.623 2.426 30 10 JEEE CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H](C)CC#N)N1CCc2ccccc2C1 1292169864 BCTKJAJNTNNIDA-WAOWUJCRSA-N 473.647 2.464 30 10 JEEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 1300409580 ISGKCFLQJMOQGB-BHDDXSALSA-N 456.635 2.402 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ccccc1CN(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1300493863 WPBBRRBBQGNKRA-QFIPXVFZSA-N 493.637 2.250 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cccnc1OCCOC 1300818707 BMRNMEUZTJJIJO-MZLICYQSSA-N 455.559 2.463 30 10 JEEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(c2nc(CC)ns2)CC1 1300843107 BHNUAUCRUAKDAG-CYBMUJFWSA-N 481.424 2.268 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC(C)(C)C1 1300884357 JUSVJHWTGBBZPV-QYZOEREBSA-N 467.636 2.219 30 10 JEEE C=C(Cl)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 1301023115 CCJPKRNNCCFKNY-IBGZPJMESA-N 479.006 2.446 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1301425296 UXELONDULZCCDF-MOPGFXCFSA-N 497.662 2.466 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@@H](NC(C)=O)C1 1301484707 LAUSNWRCUJQOMD-QGZVFWFLSA-N 461.364 2.115 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1301492352 GFNICYVEGIQSKO-GOSISDBHSA-N 491.614 2.057 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC(C)(C#N)CC1 1301497087 NYTVCVRFGDVGKO-UHFFFAOYSA-N 460.542 2.107 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cnccn3)n2CCS(=O)(=O)Cc2ccccc2)C1 1301554241 DHLFTKKOGXQAHR-IBGZPJMESA-N 454.556 2.131 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1301569590 ZSDXSGVIWQEADQ-DVECYGJZSA-N 487.626 2.495 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCN(Cc2cc(C)on2)CC1 1301576592 FTQLLXXPBVQQNN-UHFFFAOYSA-N 460.560 2.066 30 10 JEEE Cc1ccc(Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CC[C@](F)(C#N)C2)c(=O)n1C 1304346860 CUCHXZXVGMYLPM-QHCPKHFHSA-N 483.935 2.359 30 10 JEEE CC[C@@H](C)[C@@](C)(O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1305323968 DRQDVMLGIAEWJO-MWTRTKDXSA-N 451.579 2.311 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCCN1CCC[C@@H]1CO 1358885927 ULUNOSVNKALKNQ-WOJBJXKFSA-N 477.613 2.370 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(N2CCSCC2)CCCCC1 1358890891 WRILGGUJRYAMMU-RTBURBONSA-N 465.689 2.390 30 10 JEEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1358930603 YPOKVGDVDJKELX-GVDBMIGSSA-N 461.519 2.114 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H](c1cccs1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1358960511 GGSZHUHPBLYMHZ-RTBURBONSA-N 470.624 2.331 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1cccc(CSC)c1)[C@@H]1CCS(=O)(=O)C1 1358964420 YVFQKINMJPPIGV-VQTJNVASSA-N 460.625 2.320 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1358966992 BDKUPJYTSNOOGZ-OBKDMQGPSA-N 450.605 2.065 30 10 JEEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1CCNC(=O)c1ccc(C)c(F)c1 1358987295 ZRWDLJKWIVBTBT-VWLOTQADSA-N 467.545 2.271 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1CCN(C(=O)OC)CC1 1358991902 SSIKKTFXNPWLJP-UHFFFAOYSA-N 497.625 2.180 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H]1CCCN(C(C)=O)C1 1358991956 UZYAQXNWILTXTB-OAQYLSRUSA-N 485.592 2.396 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCN1CCCC1 1358992014 WRIJBLJMZJETOJ-UHFFFAOYSA-N 453.616 2.187 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H](C)COC)CC1 1359042277 YZDZHLCQNKSKHV-HNNXBMFYSA-N 477.407 2.294 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3CC)n2CC2([S@](C)=O)CC2)CC1 1359047908 YGFCHQSXBDHVBQ-UMSFTDKQSA-N 483.638 2.296 30 10 JEEE C=C(C)Cn1c(CSc2ccc(C)cc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1359124494 IYLMVPRPHXCUPL-UHFFFAOYSA-N 470.643 2.436 30 10 JEEE C=C1CCN(c2nnc(-c3cc(Br)cn3C)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1359160871 HPQGKFHIKFMRLX-AWEZNQCLSA-N 462.352 2.191 30 10 JEEE C=CCCCCn1c(N2CCC(C(=O)N3CCOCC3)CC2)nnc1[C@]1(OCC)CCOC1 1359206749 ODUVUYPITJGXRB-DEOSSOPVSA-N 461.607 2.362 30 10 JEEE C=CCn1c(-c2cccc(OC)c2)nnc1N1C[C@@H]2[C@@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1359284560 XHPZQJUBAKUFBS-QYZOEREBSA-N 489.598 2.266 30 10 JEEE C=CCNC(=O)Cn1c(N2CCN(c3ccccc3F)C[C@@H]2C)nnc1[C@]1(OC(C)C)CCOC1 1359305714 LDJGPXYKHBTRIW-DFBJGRDBSA-N 486.592 2.475 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@@](C)(C#N)C1 1359333276 SJQMHFUUEMUXLA-QHCPKHFHSA-N 484.630 2.183 30 10 JEEE C[C@H]1CN(C(=O)OC(C)(C)C)CCN1CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 1459444063 GIXROHDULBGDJN-GHTZIAJQSA-N 459.566 2.476 30 10 JEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCCC[C@@H]2c2nnc(C3CCOCC3)o2)c1 1467872555 FRQBLSKKKBIIMR-LJQANCHMSA-N 458.540 2.243 30 10 JEEE COc1cc(OC)c(CCn2c(C(=O)NC(C)C)nnc2N2CC[C@](F)(C#N)C2)c(OC)c1 1504115042 ABYAEWASWQFQQI-QFIPXVFZSA-N 460.510 2.127 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC1CCS(=O)(=O)CC1 1507702438 KJLKDNHYFGKZMO-QGZVFWFLSA-N 464.563 2.468 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC[C@@H]1CCO[C@H](C)C1 1507710515 PLCZLVVVCNMDBP-RTBURBONSA-N 464.570 2.483 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCCO[C@H](C)C2)CC1 1507734176 HTMRRLGKGRHGHX-OAQYLSRUSA-N 489.624 2.283 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H]2CC(F)(F)CO2)CC1 1507734870 ASIBBFHZZMTLNZ-GOSISDBHSA-N 489.523 2.352 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2csc(CC)n2)CC1 1507740495 AOSWJUXUHVGYJR-PXNSSMCTSA-N 472.615 2.035 30 10 JEEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1507756183 LEYCQIYIBGEFJL-UHFFFAOYSA-N 481.670 2.201 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(OCCN(C)C)c1 1507773747 VYHVLNQYOGHVTQ-GBXCKJPGSA-N 471.627 2.161 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccc2F)nnc1N1CCN(S(C)(=O)=O)CC1 1507803851 JGKOMOPOBYMBQF-NQIIRXRSSA-N 463.579 2.071 30 10 JEEE C=CC1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H]2CCC(=O)N2)CC1 1507901610 CDNSNOXFPZISLJ-QZTJIDSGSA-N 460.579 2.268 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@@H](C(F)(F)F)C1 1508135894 OPOBYLWUWYNTMA-MRXNPFEDSA-N 496.519 2.300 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1C[C@H](CC)O[C@H](C)C1 1508141281 USEFCMXVIXRTGG-CVEARBPZSA-N 472.571 2.198 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(NC(=O)C2CC2)CC1 1508147877 CYRCQBBQNWAPLN-WOJBJXKFSA-N 493.674 2.293 30 10 JEEE CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cnn(CC)c2)CC1 1513187168 GOZYVVHSNFWWEI-IBGZPJMESA-N 475.601 2.118 30 10 JEEE COCC[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC(=O)N(CCOC)C2)C1 1519000480 DQGYTAKMCTZSIP-VQTJNVASSA-N 452.559 2.174 30 10 JEEE C#CCN1CCN(c2nnc(-c3nn(CCC)c(=O)c4ccccc34)n2CCCCOC)CC1 1539445989 MWFAABBJCATFQN-UHFFFAOYSA-N 463.586 2.247 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@H]2C[C@H](C)O[C@H](C)C2)CC1 1539484299 KIRURLLULFMHKP-CEQLMSFQSA-N 450.587 2.433 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)CC(=O)N1CCOCC1 1539622458 GMPJCFASWZFJMF-FXAWDEMLSA-N 460.966 2.270 30 10 JEEE C=C(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1CCOCC1)c1ccccc1 1539767012 HYHYYWYTBQIIIG-NRFANRHFSA-N 475.615 2.187 30 10 JEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 1540035966 IPPLWQQGMMZPLH-SFHVURJKSA-N 490.586 2.008 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCCO[C@H](C)C1 1540898144 AXHRBMZKVINQPP-CYBMUJFWSA-N 458.382 2.252 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc3cccnc23)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1540899899 DLWMYEVNTQQMFD-SFHVURJKSA-N 489.623 2.108 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1540904578 NZDRCYBQTKRFAW-UHFFFAOYSA-N 486.642 2.094 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1Cn1cccn1 1541115571 BJYBAKQXAWRDGQ-PXNSSMCTSA-N 453.572 2.069 30 10 JEEE COCCNC(=O)[C@@H]1CN(C(=O)NCC(C)C)CCN1c1ccc(C#N)c(C(F)(F)F)c1 1548368108 UBBMVZKBFVSIIZ-SFHVURJKSA-N 455.481 2.196 30 10 JEEE C#CCn1cc(CNC(=O)c2cccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)c2)cn1 1556465641 QDAIOZOAUDSKDW-UHFFFAOYSA-N 452.492 2.018 30 10 JEEE C#CC1CCN(C(=O)c2cc(S(=O)(=O)NC[C@H]3CCCO3)ccc2Br)CC1 1557169155 LITZEEZCZHNIKD-OAHLLOKOSA-N 455.374 2.392 30 10 JEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C(=O)OC)c2ccc(C(F)(F)F)cc2)cc1 1558663439 OVDJJOMWCFCEIX-KRWDZBQOSA-N 454.426 2.261 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@@H]3c3ccccc3)C2)s1 1566077083 STDOLFQIQKWAAG-BHIYHBOVSA-N 459.593 2.028 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)c(Br)c1 1587638479 FMWLEOHPKMDGCV-ZFWWWQNUSA-N 467.389 2.458 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1CCOCC1 1588194004 OEPBZXJUHMWVEC-UHFFFAOYSA-N 455.584 2.085 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H]2CCCS2)CC1 1588836896 NVERPNHTNVFXCZ-RTBURBONSA-N 476.647 2.237 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2C[C@@](C)(O)[C@H](C)CC)CC1 1588907830 GXEGBWWGDBPLEI-WXTAPIANSA-N 481.597 2.479 30 10 JEEE C=CCN(CC=C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H](C)N1CCN(CC)CC1 1595205551 WKWLNVHHYKNMBT-FQEVSTJZSA-N 476.629 2.396 30 10 JEEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 1595569855 PAJUEZAAWJUZFI-UNMCSNQZSA-N 485.677 2.130 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCSC[C@H]1C 1595805874 WVRMNSPUZZZPHU-QAPCUYQASA-N 450.586 2.333 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CCN(CC)[C@H](C)C1 1595831613 UQCVAPRFAFUGQL-QGZVFWFLSA-N 451.568 2.127 30 10 JEEE CCN(C)C(=O)Cn1c(-c2ccccc2OC)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1615094799 FZPZRLDYVXKUIL-UHFFFAOYSA-N 460.542 2.025 30 10 JEEE COCCn1cc(C(=O)N2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)ccc1=O 1616674772 DIODJMSQNUYYRL-LJQANCHMSA-N 459.344 2.280 30 10 JEEE CC(=O)N1CCc2c(sc(NC(=O)[C@H]3CCCN3S(=O)(=O)c3ccccc3)c2C#N)C1 1618705194 AIILQCHBDZVAPJ-GOSISDBHSA-N 458.565 2.316 30 10 JEEE COCCN(CCC#N)c1nnc([C@H]2CCCCO2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1619912608 HRASVFFRNSSMKN-IAGOWNOFSA-N 460.501 2.149 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CCCn2ccnc2C)c1 1689868484 IBUGREAAOCIGLC-UHFFFAOYSA-N 474.569 2.166 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3OCC[C@H]3COC)n2Cc2nnc(C)s2)c1 1689873862 ZUDAPMFXLZEWAU-UWJYYQICSA-N 481.582 2.267 30 10 JEEE C#CCN(c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1689982721 SNBCCIOMQGIRBS-RTWAWAEBSA-N 472.611 2.285 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CC(=C)Br)[C@H]1CCS(=O)(=O)C1 1689983501 CJRLHPQRWPISPD-INIZCTEOSA-N 465.373 2.489 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CC1(N(C)C)CCCC1)[C@H]1CCS(=O)(=O)C1 1689984898 XTBJCSVDNGFMDK-NRFANRHFSA-N 466.611 2.318 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@]1(O)CCSC1 1690101193 RLRYMGWZLZZBPK-XMMPIXPASA-N 482.610 2.019 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2CC2CCN(C(C)=O)CC2)CC1 1690113676 QFSNAEQVYNWHRR-UHFFFAOYSA-N 488.434 2.060 30 10 JEEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 1690170093 YXDAPQRTMBJFMP-UHFFFAOYSA-N 451.531 2.203 30 10 JEEE C=C(C)CN(CC)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1690255000 MUGKCEIAEQWCRY-RBUKOAKNSA-N 464.636 2.121 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2nsnc2c1 1690265380 NPXSLZVXOHFTOX-GOSISDBHSA-N 477.616 2.066 30 10 JEEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCN1CCN(c2ccccc2)CC1 1690287644 MPSLAIMHKMKUQZ-FQEVSTJZSA-N 458.632 2.015 30 10 JEEE C=CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(CCOC)[C@H](CCC)C1 1690639533 XNLAHVICHNZVBR-GOSISDBHSA-N 461.636 2.361 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1690674789 FOIHPOYLDYTIPJ-QHCPKHFHSA-N 495.672 2.381 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H](N2CCOCC2)C(F)(F)F)C1 1690714761 UHIRZFKUAMUCID-MANSERQUSA-N 489.539 2.047 30 10 JEEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(-c2ccccn2)n1CCC(=O)NC(C)(C)C 1693744815 BBNHTXSTMSIUHT-KRWDZBQOSA-N 474.573 2.022 30 10 JEEE CCN(CCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@](F)(C#N)C1)S(C)(=O)=O 1695738354 GXZDBJPNOIDEEL-NRFANRHFSA-N 480.566 2.076 30 10 JEEE N#C[C@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCc2ccc(Br)s2)CCO1 1698492824 GDTVOUPLYGZKRO-WCQYABFASA-N 451.350 2.025 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1cccc(C(=O)NCCC)c1)[C@H]1CCS(=O)(=O)C1 1705566642 PETPNIUUQQPVDH-VXKWHMMOSA-N 499.637 2.335 30 10 JEEE C#CCN(CC#CC)c1nnc(CCCc2ccccc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1705600553 COSXXPOQNRLPLC-QFIPXVFZSA-N 453.612 2.198 30 10 JEEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCC(=O)NC1CC1 1705605626 PKQOBVSBMHIBQL-UHFFFAOYSA-N 457.604 2.065 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1oc2ccc(F)cc2c1C 1705621669 KMJRWIUAJZNJAB-OAHLLOKOSA-N 463.535 2.216 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@H](C)CN2CCOCC2)CC1 1705632923 FIUYHZCPXHGPAY-SFTDATJTSA-N 470.593 2.281 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ncccc2N(C)C)CC1 1705646256 VALFGJBFANYMSJ-UHFFFAOYSA-N 478.988 2.469 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCO[C@@H]2C(=C)C)CC1 1705651430 WQNUYFRMEIHMLB-DENIHFKCSA-N 496.637 2.217 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1705709349 NUVGPSIXPDFQSK-GCJKJVERSA-N 455.559 2.464 30 10 JEEE C=C(Cl)Cn1c(Cc2cccnc2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1705756690 KTVPPCGDCXMHSL-UWJYYQICSA-N 458.010 2.395 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCc2cccc(C)n2)CC1 1705781950 KYQRQAADODWNKN-NRFANRHFSA-N 474.631 2.350 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CCn1cccn1 1705939097 RZBFTWQGKAEXNB-QZTJIDSGSA-N 450.609 2.130 30 10 JEEE CC(C)(C)C(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2CCS(=O)(=O)CC2)CC1 1706087895 HZRKUYQQIQDOAM-UHFFFAOYSA-N 484.626 2.336 30 10 JEEE Cc1ccc(S(=O)(=O)NCCn2c(Cc3ccncc3)nnc2N(C)C[C@H](C)C#N)s1 1707560568 GNRLDWZIGGIAPU-OAHLLOKOSA-N 459.601 2.208 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2C[C@H]2CCC[C@H](O)C2)c1 1722307873 XYTIKQAYTQZZQM-FPOVZHCZSA-N 464.570 2.008 30 10 JEEE C#CCCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1722312055 SMZMEBYIEOJDRA-UHFFFAOYSA-N 466.542 2.286 30 10 JEEE C#CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@@H](NC(C)=O)C1 1722327649 MPFPPHQIAZOHRN-GOSISDBHSA-N 457.604 2.065 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1C[C@@H](c1cccc(OC)c1)N(C)C)[C@H]1CCS(=O)(=O)C1 1722370677 DRUZDLQPYYQRHG-UNMCSNQZSA-N 471.627 2.169 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cc2ccccc2o1 1722397823 VLARGPACVBDUBM-JOCHJYFZSA-N 481.578 2.063 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCC(C)(F)F)CC1 1722436799 FZSYHGVTAPJQNC-KRWDZBQOSA-N 468.549 2.387 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@]2(OC)CCOC2)CC1 1722443235 PZKPBMXNGWJWDF-XMMPIXPASA-N 487.988 2.378 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC(=O)NCC2CC2)CC1 1722443533 VFALPEGUYURXBC-UHFFFAOYSA-N 454.962 2.091 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCNC(=O)[C@H]1CC 1722496576 YBKJFRMXNAWWFY-SXLOBPIMSA-N 473.599 2.045 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@H](n2cncn2)C1 1722519869 SVCMYUZTFXMROJ-GOSISDBHSA-N 456.576 2.205 30 10 JEEE C=CCCOCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1722624501 BDLAGHZXFFIGSL-UHFFFAOYSA-N 474.009 2.331 30 10 JEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2cc(OC)c(OC)cc2CC1 1722629152 GHOPPNLDFNXIIJ-HXUWFJFHSA-N 490.626 2.395 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1cc(C(F)(F)F)ccn1 1722681617 OLSJERLLXQDKNB-HNNXBMFYSA-N 473.521 2.476 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(=O)OCC)CC1 1722723875 HLLYYWMKQSPPCZ-KRWDZBQOSA-N 495.577 2.437 30 10 JEEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1722737226 XKYIMOUJKKGOIH-QFIPXVFZSA-N 457.604 2.146 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@H](C)N1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1740620226 CIKILNGFSXAJBV-SLFFLAALSA-N 458.632 2.031 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1ccc(NC(=O)N(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 1740620625 FSMGIEFAKLUNTQ-OAQYLSRUSA-N 493.593 2.109 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CC(C)(C)N1CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1740627083 XQKDCKSLHAKVLA-UNMCSNQZSA-N 484.670 2.401 30 10 JEEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1CC1=CCCOC1)[C@@H]1CCS(=O)(=O)C1 1740628946 WUFLTCKICQVPJC-LJQANCHMSA-N 476.986 2.484 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cn2cc(Cl)cc(Cl)c2n1 1740685684 KJULWGTXJGMESX-AWEZNQCLSA-N 497.408 2.269 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCn2ccnc2C)CC1 1740701291 AYXFDDPPRJGPDA-UHFFFAOYSA-N 477.569 2.133 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@H](C(C)C)N2CCCC2)CC1 1740707019 LRGYXOUNZCNCFP-HSZRJFAPSA-N 463.630 2.350 30 10 JEEE C#CCSCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@@H](CNC(C)=O)C1 1740714154 XBQIQIUYNMLUNN-INIZCTEOSA-N 451.955 2.445 30 10 JEEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1740719404 LIJGTTWRUKZQPK-UHFFFAOYSA-N 465.583 2.326 30 10 JEEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1740789262 BBWVHFIVMNIAOU-SFHVURJKSA-N 473.965 2.353 30 10 JEEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCOC)Cc1ccccc1 1740810336 BVUPZHUDNKBXMV-GOSISDBHSA-N 469.995 2.017 30 10 JEEE C=C(Cl)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H](C)CS(C)(=O)=O 1740822748 OMYBKYBJBUCBQR-HUUCEWRRSA-N 478.015 2.208 30 10 JEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](c2cccs2)N2CCOCC2)CC1 1740832690 GLPWBSXPSPWTKU-HKUYNNGSSA-N 494.687 2.426 30 10 JEEE C=CCCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1740860827 RPMQEURHYIZOQT-UHFFFAOYSA-N 484.601 2.492 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(C(=O)NCC(N)=O)cc2)C1 1740974811 ITUIEEUMPQBDSM-IBGZPJMESA-N 495.971 2.038 30 10 JEEE CCOC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1746607398 AWTDETWVPMXAAV-GOSISDBHSA-N 490.605 2.333 30 10 JEEE CN(C)S(=O)(=O)CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@](F)(C#N)C1 1747607114 FFPBQNABHWRFGA-JOCHJYFZSA-N 478.594 2.488 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(OC)nc2)c1 1748690237 PARUDDUFIMHWQH-UHFFFAOYSA-N 496.531 2.434 30 10 JEEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccnc(OC2CCOCC2)c1 1748798632 LQACKXZVMJUTEZ-UHFFFAOYSA-N 466.567 2.340 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCN(C)C1CCCC1)[C@H]1CCS(=O)(=O)C1 1748810134 ZNBLVYLITKOBLO-NRFANRHFSA-N 471.627 2.455 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCN(C)Cc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1748823835 CGCJYGBWXIHIRL-LEWJYISDSA-N 475.590 2.027 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1749003541 MRUVAJYHGHNKJY-IBGZPJMESA-N 493.568 2.078 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC2(C)CCC2)CC1 1749003882 YPUKHSOARXOTNM-UHFFFAOYSA-N 498.653 2.351 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C)=C(C)C1 1749669347 JRHFZKDONNFNMD-GOSISDBHSA-N 460.579 2.435 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN([C@H](C)c2nccs2)CC1 1749729142 BUUOTPHLEOSWBP-QGZVFWFLSA-N 473.628 2.281 30 10 JEEE CC(=O)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCOC[C@H]2CCCO2)CC1 1749839603 RAKCYRYLLQFSEZ-HSZRJFAPSA-N 482.585 2.373 30 10 JEEE N#CCC1CCN(c2nnc(CN3CCCC3=O)n2CCNC(=O)c2ccccc2F)CC1 1750389672 HFNCBYMARTYBPZ-UHFFFAOYSA-N 453.522 2.100 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3csc(C)n3)n2C[C@@]2(OC)CCOC2)c1 1760127782 MFQYCWMQPQONFK-DEOSSOPVSA-N 480.594 2.496 30 10 JEEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1760129686 VQSRHGMMSQMSBU-SFHVURJKSA-N 470.541 2.106 30 10 JEEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1760146558 POACJBPCAFZDSH-HNNXBMFYSA-N 454.394 2.473 30 10 JEEE C#CCCCn1c([C@H]2CCCCO2)nnc1N1CCN(CC(=O)NCc2ccccc2)CC1 1760161519 KVRZKRSMUYUEBW-JOCHJYFZSA-N 450.587 2.372 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@](C)(O)c1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 1760184000 FXKMARILZWSCOV-UZUQRXQVSA-N 488.013 2.471 30 10 JEEE C#CCN(c1nnc(-c2nnc(O)c3ccccc23)n1CC(C)(C)OCC)[C@H]1CCS(=O)(=O)C1 1760190206 ULIWJPTXDMNVJJ-INIZCTEOSA-N 484.582 2.036 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@@H]2CCSC2)CC1 1760255209 WBJVPZJFDOFNFO-KRWDZBQOSA-N 457.600 2.479 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2Cc2c(CC)nn(C)c2OC)CC1 1760269383 GTYJSGOGLAPWBK-UHFFFAOYSA-N 455.607 2.185 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1CC(=O)NCCc1ccccc1 1760290986 WJYFXNGRLQLHON-RPBOFIJWSA-N 451.571 2.281 30 10 JEEE C=CCC(C)(C)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(C)C(=O)C1 1760406754 KXEMBILVIIWRDA-UHFFFAOYSA-N 459.620 2.427 30 10 JEEE C=CCCOCCn1c(N2CC[C@]3(CNC(=O)C3)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1760453303 RXENSVCGRCZNAG-RHGYRFJNSA-N 474.606 2.358 30 10 JEEE CCN(CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(C(C)C)CC1)S(C)(=O)=O 1766866463 DVCWXNWXSXCCSB-UHFFFAOYSA-N 473.647 2.409 30 10 JEEE CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)N2CCCCC2)CCO1 1769240628 GELCRMTYYPPSEU-HXUWFJFHSA-N 451.575 2.032 30 10 JEEE CN(c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cn1)S(=O)(=O)c1ccccc1C#N 1858266892 OKLKOKBUJRXYGE-UHFFFAOYSA-N 486.531 2.350 30 10 JEEE CN(C)CCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1862568486 PXSVASUBUREBBB-FQEVSTJZSA-N 468.466 2.088 30 10 JEEE COc1ccccc1N1CCN(C(=O)CNC(=O)C2CCN([C@H](C#N)c3cccs3)CC2)CC1 1868782489 JKCJNSGJAOVOLQ-OAQYLSRUSA-N 481.622 2.498 30 10 JEEE O=C(NCCCCN1CCCC1)[C@H](Cc1ccc(F)cc1)N=C1NS(=O)(=O)c2ccccc21 1869934093 YSKDUGFKYCXPSP-NRFANRHFSA-N 472.586 2.468 30 10 JEEE C=CCOc1ccccc1OCC(=O)Nc1nc(N2CCC[C@H](C)C2)nn1[C@@H]1CCS(=O)(=O)C1 1869996244 XDHHMYTUEYARHV-ZWKOTPCHSA-N 489.598 2.456 30 10 JEEE C#CCOc1cn(C[C@H](c2ccc(O)cc2)N(C)C)c(CN2CCC(N(C)C)CC2)cc1=O 1870561628 VJFBJZSSHRRDEQ-XMMPIXPASA-N 452.599 2.395 30 10 JEEE CCCCCCCCCCn1cc(OCC(=O)NC)c(=O)cc1CN1CCN(CCO)CC1 1870568390 NFHMWCSUJVMBBR-UHFFFAOYSA-N 464.651 2.224 30 10 JEEE C=CCN(CC=C)c1nc(=NCCN2C(=O)CSC2=O)[nH]c(=Nc2ccc(C)cc2C)[nH]1 1871603609 INCUQISJSQYVSJ-UHFFFAOYSA-N 453.572 2.362 30 10 JEEE CC(C)N1C[C@@H](c2nnc(SCC(N)=O)n2/N=C/c2cccc(Br)c2)CC1=O 1874338735 WRNQWOPPYXLWPA-OOMAIKSQSA-N 465.377 2.225 30 10 JEEE COc1ccc(Cc2nnc(SCC(N)=O)n2/N=C/c2cc(OC)c(OC)c(OC)c2)cc1 1874350382 JMDZEUOGLDZRBY-WYMPLXKRSA-N 471.539 2.363 30 10 JEEE Cc1nn([C@H](C)CC(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)c(C)c1Cl 1889350551 STQIEBHDCCXEBN-GOSISDBHSA-N 450.027 2.363 30 10 JEEE CCN1CCN(CC#CCOC2CCN(C(=O)COc3ccc(Br)cc3)CC2)CC1 1890309019 YKPUNOCLKVZLRQ-UHFFFAOYSA-N 478.431 2.476 30 10 JEEE O=C(NCC#CCN1CCc2ccccc2C1)C1CCN(S(=O)(=O)c2ccccc2)CC1 1890614598 RPMXZXDLINOCGC-UHFFFAOYSA-N 451.592 2.265 30 10 JEEE CCCn1c(C(=O)N2CCC[C@@H](Oc3nccnc3C#N)C2)cc2c(=O)n3ccccc3nc21 1892010394 UGFAUFOHSKLPOU-MRXNPFEDSA-N 457.494 2.404 30 10 JEEE CC1(C)OB(c2ccc(CNS(=O)(=O)N3CC(OCc4ccccc4)C3)s2)OC1(C)C 2043682233 FRLMIRFEWFVAOU-UHFFFAOYSA-N 464.418 2.283 30 10 JEEE CC1(C)OB(c2scnc2CS(=O)(=O)N2CC(OCc3ccccc3)C2)OC1(C)C 2247953384 SLTCLRDNXXAMKQ-UHFFFAOYSA-N 450.391 2.173 30 10 JEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1csc(B2OC(C)(C)C(C)(C)O2)c1 2255845408 JDRRAZGELIPVIR-LSDHHAIUSA-N 452.382 2.411 30 10 JEEE CC(C)(C)OC(=O)NC1CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)c(F)c2)C1 2255933996 WQVWBKBDKALDQB-UHFFFAOYSA-N 456.345 2.023 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]1NS(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2255934224 ZFFXXQIDHCQILP-HOCLYGCPSA-N 452.382 2.177 30 10 JEEE CC(C)[C@](C)(CNC(=O)OC(C)(C)C)NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2267130081 JTWJVSWCYAICEI-QFIPXVFZSA-N 450.389 2.389 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CC1(F)F 2267147497 RZZAWHLYLWVSEX-CYBMUJFWSA-N 456.299 2.083 30 10 JEEE C[C@@H]1CN(C(=O)c2nn(C)c(Cl)c2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2267182609 AMAIPCARIUVRIX-CYBMUJFWSA-N 468.791 2.454 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@]2(NS(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2267468481 WBDRJHIENJCJLU-YCRPNKLZSA-N 484.449 2.476 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCOC[C@@H]1NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2267715370 WOGBOEWADZDYMI-KGLIPLIRSA-N 488.437 2.008 30 10 JEEE CN(Cc1sccc1B1OC(C)(C)C(C)(C)O1)C(=O)C1(O)CC(NC(=O)OC(C)(C)C)C1 2268704888 CRDMGSCAEXYJPL-UHFFFAOYSA-N 466.409 2.424 30 10 JEEE C=C(CS(=O)(=O)N(C)C[C@@]1(O)CCCN(Cc2ccccc2)C1)B1OC(C)(C)C(C)(C)O1 2270914415 KMPZRASQONBKQD-QHCPKHFHSA-N 464.437 2.463 30 10 JEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CCO[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 2281794940 AZBWHCJMTHFPIN-SJORKVTESA-N 462.352 2.348 30 10 JEEE Cc1c(C(=O)NC2CC3(C2)C[C@@H]3NC(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281803595 ZIRXTPTZYAPZEL-VZSHHBOJSA-N 460.384 2.203 30 10 JEEE Cc1cc(C(=O)NC23COC(CNC(=O)OC(C)(C)C)(C2)C3)oc1B1OC(C)(C)C(C)(C)O1 2281972122 LGIFQCOUFWZPRT-UHFFFAOYSA-N 462.352 2.443 30 10 JEEE Cc1nn(C)c(C(=O)N2C[C@@H]3CCN(C(=O)OC(C)(C)C)[C@H]3C2)c1B1OC(C)(C)C(C)(C)O1 2281983482 UZPRXOXMANUKLF-HOTGVXAUSA-N 460.384 2.109 30 10 JEEE Cc1nn(C)c(C(=O)N[C@@H]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)c1B1OC(C)(C)C(C)(C)O1 2281987236 YMXFPAQPHNSKHW-ARFHVFGLSA-N 460.384 2.013 30 10 JEEE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1N(C)C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2282030184 BSWPOPBVRPILLQ-DOTOQJQBSA-N 460.384 2.493 30 10 JEEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@@H]21 2282175029 ISVWDVQSPZSZOL-ZSYWTGECSA-N 452.364 2.228 30 10 JEEE CC(C)(C)OC(=O)N(CCO)C1CCN(C(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)CC1 2282537135 MCNGGTVDDKYWNQ-UHFFFAOYSA-N 464.368 2.413 30 10 JEEE CCc1nn(C)c(C(=O)N(C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2282559493 JLHKMBWQGASPTC-HNNXBMFYSA-N 462.400 2.363 30 10 JEEE Cc1nn(C)c(C(=O)NC[C@@H]2[C@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)c1B1OC(C)(C)C(C)(C)O1 2282573990 IOHMMGSQYSDVKS-ARFHVFGLSA-N 460.384 2.013 30 10 JEEE Cc1nn(C)c(C(=O)N2CC[C@]3(CCN3C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2282582734 AIDKCEVJZMCVDV-QHCPKHFHSA-N 460.384 2.253 30 10 JEEE C[C@@H]1CN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C[C@@H](C)N(C(=O)OC(C)(C)C)C1 2283061797 NCYMQFBLVKZTPW-HZPDHXFCSA-N 460.384 2.493 30 10 JEEE Cn1cc([C@@H](NC(=O)OC(C)(C)C)C(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)cn1 2283966577 XMORBIAPNPCDQH-QGZVFWFLSA-N 457.340 2.319 30 10 JEEE CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1nscc1B1OC(C)(C)C(C)(C)O1 2283970083 SMYUCSAXADHSTH-WFASDCNBSA-N 483.396 2.076 30 10 JEEE Cc1nc(NC(=O)[C@@](C)(NC(=O)OC(C)(C)C)C(C)(C)O)ncc1B1OC(C)(C)C(C)(C)O1 2283982504 YGOQPEZEBPRGKR-JOCHJYFZSA-N 464.372 2.077 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N1CCC(CNC(=O)C(F)(F)F)CC1 2285208979 QICNGNJUEYZEGC-UHFFFAOYSA-N 455.286 2.220 30 10 JEEE COCCc1nnc(SCC(=O)Nc2nccs2)n1N=Cc1ccc(C(=O)OC)cc1 2331273709 OONFKBYRGITMIC-UHFFFAOYSA-N 460.541 2.323 30 10 JEEE C[C@@H](NC(=O)[C@@H]1COC[C@@H]1NC(=O)OC(C)(C)C)c1nscc1B1OC(C)(C)C(C)(C)O1 2334388939 SFUCXGORGJGIFS-NFAWXSAZSA-N 467.397 2.159 30 10 JEEE CO[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2337396168 JWIXVPQFZYPLHE-GJZGRUSLSA-N 467.397 2.197 30 10 JEEE Cc1scc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2O)c1B1OC(C)(C)C(C)(C)O1 2343512402 UEXNWGBKJHCABR-HOTGVXAUSA-N 466.409 2.456 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2 2359267926 LFWUEZMLWNBURY-DJIMGWMZSA-N 460.384 2.330 30 10 JEEE CN(C)[S@@](=O)(=NC(=O)[C@@H]1C[C@@H]1B1OC(C)(C)C(C)(C)O1)N1CCN(C(=O)OC(C)(C)C)CC1 2359279082 WKYRPXOPDWKRIO-CAQYMETFSA-N 486.444 2.408 30 10 JEEE CC(C)(C)OC(=O)N1CC2(CC[C@@H](NC(=O)c3nscc3B3OC(C)(C)C(C)(C)O3)CO2)C1 2362300633 YOCGZZPGWSGKFS-CQSZACIVSA-N 479.408 2.341 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C1CC1 2362346464 SDVTVQFHUOHHQY-HOTGVXAUSA-N 460.384 2.237 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CC12CC2 2362358182 WTBDJGXFQGVIRO-HNNXBMFYSA-N 460.384 2.096 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC2=CCN(C(=O)OC(C)(C)C)CC2)n1C 2362568872 KIQOBWHGQFQWNX-UHFFFAOYSA-N 460.384 2.325 30 10 JEEE COc1ccc(CCNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1OC(F)F 510389022 LAAOPUPFSOWROG-UHFFFAOYSA-N 494.520 2.427 30 10 JEEE C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)c2cc(C)n([C@@H](C)c3ccccc3)c2C)C1=O 726042631 KPPDSCLHYYBWNG-INIZCTEOSA-N 451.479 2.417 30 10 JEEE CCCCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1Cc1cccs1 729670636 ZLNRSYPGQKIYJS-UHFFFAOYSA-N 463.588 2.087 30 10 JEEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Br)cc1C(F)(F)F 917925822 PJDUIGVCJVIIQC-NSHDSACASA-N 460.293 2.279 30 10 JEEE COc1cccc(C=NNc2nnc(SCC(=O)Nc3cc(OC)ccc3OC)n2N)c1 1084267716 KIFGPHWNMGVYTG-UHFFFAOYSA-N 457.516 2.195 30 10 JEEE N#Cc1ccc(N2CCC[C@H](NS(=O)(=O)[C@H]3CCCN(C(=O)C4CCCC4)C3)C2=O)cc1 1189125183 ACBDCHCTCJDUJW-SFTDATJTSA-N 458.584 2.154 30 10 JEEE CS(=O)(=O)N1CCN(c2ccc(NC(=O)N[C@H]3CCCc4cc(C#N)ccc43)cn2)CC1 1200203655 APOCAVAHQNQSHC-FQEVSTJZSA-N 454.556 2.234 30 10 JEEE C#CCn1ccc(CN(CCOC)S(=O)(=O)Cc2cc(OC)ccc2Br)n1 1211731907 WXHQZKJVIBXWRS-UHFFFAOYSA-N 456.362 2.266 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2CCCc2cnn(C)n2)c1 1286310775 ZGEXXOFHUZDSMX-UHFFFAOYSA-N 455.526 2.158 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccsc1Br)[C@H]1CCS(=O)(=O)C1 1286395844 SOMZEQXXFVKVHO-GJZGRUSLSA-N 485.429 2.281 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCCCN1CC 1286401661 PSZBGFICEUWFOY-NRFANRHFSA-N 468.627 2.143 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1286404208 QTYVJZMBHMVFSM-KNQAVFIVSA-N 497.621 2.239 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1(C(N)=O)CCCC1 1286415528 DETCZYJZQDAYPL-SFHVURJKSA-N 454.575 2.469 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@H](C(C)C)N2CCOCC2)CC1 1286483975 BRWLATMZFZAYDA-XMMPIXPASA-N 466.630 2.278 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(F)cc2Br)n1CCS(=O)(=O)NC 1286516625 IAECRRFERQLJMW-GOSISDBHSA-N 470.368 2.388 30 10 JEEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1286603787 KXVLELWHOONSJH-SFHVURJKSA-N 460.966 2.414 30 10 JEEE C=CCCOCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@H](NC(=O)CC)C1 1286710510 ZCCRZAMYVLYZGK-SFHVURJKSA-N 479.585 2.280 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H]1c1nncn1C 1286816920 NXUMTIGLEDHVMV-OAHLLOKOSA-N 462.967 2.064 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CC[C@@](O)(c2ccc(F)cc2)C1 1286819066 YLVYIKKLGAMKNZ-QFIPXVFZSA-N 457.531 2.178 30 10 JEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCNC(=O)c1cccc(OC)c1 1300466627 YSOKXJHNFZWMLA-FQEVSTJZSA-N 498.584 2.095 30 10 JEEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1CCC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1300504799 SQGPZBYKUIFCTR-LJQANCHMSA-N 460.600 2.262 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2ccccc2)CCC1 1300578056 GLEARBNISBZKFK-JOCHJYFZSA-N 481.622 2.196 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)COCc2ccccc2)CC1 1300711309 XJUWYGYRDIPQKI-OAQYLSRUSA-N 492.624 2.333 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCc2sc(C)nc2C)CC1 1300719620 IYSQEFDLEGRXLI-UHFFFAOYSA-N 450.572 2.017 30 10 JEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](c2ccc(OC)cc2)C1 1300733401 JUAJQLSPPGFHOC-WMZOPIPTSA-N 463.629 2.257 30 10 JEEE C=C(Br)Cn1c(N2C[C@H](C)[C@H](N3CCN(C(C)=O)CC3)C2)nnc1C(C)(C)C 1300861464 IYNLXRAAIFWCTO-WMLDXEAASA-N 453.429 2.473 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCS(=O)(=O)CC1 1300875078 MMRAJYYKCPQNJF-UZLBHIALSA-N 462.572 2.178 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)CC(=O)NC(C)C 1300885356 PBDSJYASPRMJFN-RBBKRZOGSA-N 482.633 2.394 30 10 JEEE C=C(C)Cn1c(Cc2ccccn2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1300957200 PHOSNXLHPPVNTN-OYRHEFFESA-N 451.619 2.467 30 10 JEEE C=C(Cl)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1301043715 BXZAJNULUOUYGB-YOEHRIQHSA-N 453.952 2.061 30 10 JEEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1301197140 FCXITBXTLDKNKE-HXUWFJFHSA-N 457.623 2.003 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(C)CCCO1 1301363091 OHBDWDMVQQHTGV-WIYYLYMNSA-N 481.644 2.434 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCCN(C(=O)C2CC2)CC1 1301492317 DRBMCLYNXBGFEN-UHFFFAOYSA-N 482.585 2.103 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC(O)(Cc2ccccc2F)CC1 1301506663 NRZFSJFITQKKPK-UHFFFAOYSA-N 464.545 2.279 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2nc3cccc(Cl)c3n2C)C1 1301538722 KMOXOAUKURADTC-GJZGRUSLSA-N 494.021 2.258 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1301585833 FNBSJQXUNUWWFQ-RDJZCZTQSA-N 453.609 2.181 30 10 JEEE CC(C)(CN1CCCC1)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(NS(C)(=O)=O)CC1 1302344838 DQWAZZWCOIMWBC-UHFFFAOYSA-N 485.658 2.457 30 10 JEEE CC(C)OC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCCS2(=O)=O)CC1 1303525943 BMFVIOMOVGROBS-UHFFFAOYSA-N 458.588 2.246 30 10 JEEE CC[C@H](C)[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C)OC 1305351101 DFYAJWJVSGPCKJ-GNBUJSLZSA-N 454.579 2.220 30 10 JEEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(OC)c(OC(F)F)c1 1358949334 YYMCHSUKCPJVSW-HNNXBMFYSA-N 454.499 2.102 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1CCc1csc(C(C)C)n1)[C@@H]1CCS(=O)(=O)C1 1358963785 OCXMJOZVOKDMPD-FUHWJXTLSA-N 463.629 2.231 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCc1cnn(C)c1 1358986998 OEINZIDOOMPZBB-UHFFFAOYSA-N 478.626 2.376 30 10 JEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(Cc2cc(F)ccc2OC)CC1 1359059971 GCOAEPKNJKJODB-UHFFFAOYSA-N 486.617 2.237 30 10 JEEE C=C(C)COCCn1c(COc2ccc(C)cc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1359136755 UKHWKEHZRAZNLP-UHFFFAOYSA-N 484.601 2.332 30 10 JEEE C=CCC(C)(C)Cn1c(N2CCC[C@@H](n3cnc(C(N)=O)n3)C2)nnc1[C@]1(OC(C)C)CCOC1 1359192254 AGHISRWYIHTMLJ-KOSHJBKYSA-N 486.621 2.453 30 10 JEEE C=CCN(CC=C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1(O)CCOCC1 1359267791 SAXKYKCROMJHQA-UHFFFAOYSA-N 460.604 2.267 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc(COc2ccc(F)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1359476322 BOWRLDBMOOFYDM-DOTOQJQBSA-N 450.540 2.016 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@@H](c1cccc(F)c1)N(C)C 1360692830 AFCBNFLJAUJLBD-BPXKWBHBSA-N 477.610 2.460 30 10 JEEE CCOC(=O)N[C@H](CC(C)C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](C#N)C1 1502519116 CRZNGIWQBJUYRH-SJORKVTESA-N 489.602 2.159 30 10 JEEE CN(C)C(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N(C)CC(C)(C)CN1CCOCC1 1503364106 BXEUAFUJEUKDMV-UHFFFAOYSA-N 467.618 2.480 30 10 JEEE N#C[C@H]1CN(c2nnc(Cc3ccccn3)n2CCCn2cc(Br)cn2)CCO1 1505323223 DRGWPADUKMGKED-KRWDZBQOSA-N 457.336 2.042 30 10 JEEE C#CCCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1507569924 KKAROQIOPZYPIU-QHCPKHFHSA-N 484.670 2.070 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](Oc2ccccc2)C1 1507589431 WWBVFGVVIMHEAM-SFTDATJTSA-N 473.599 2.072 30 10 JEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1507593516 RBZRHZWYXCKPOP-CTNGQTDRSA-N 497.669 2.062 30 10 JEEE C#CCCCn1c(N2CCN(CC(=O)NC3CCC(C)CC3)CC2)nnc1[C@]1(OCC)CCOC1 1507599724 SWHDNSJCBKFZNO-LUFKIMSYSA-N 486.661 2.161 30 10 JEEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccccc1CC)[C@@H]1CCS(=O)(=O)C1 1507627306 RSXHDSUQJOVOSY-ZJSXRUAMSA-N 472.611 2.168 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC(C)(C)c1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1507630744 GTMOJCYYHJQVQO-GOSISDBHSA-N 470.574 2.422 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CCC1(COC)CCCC1)[C@H]1CCS(=O)(=O)C1 1507635507 SRXSRZSRDVFKQC-NRFANRHFSA-N 471.627 2.488 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN(CCC)C(=O)OC(C)(C)C 1507672403 ZYAIXODWCATYIG-IBGZPJMESA-N 477.631 2.290 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC[C@@H](OC)C(F)(F)F)CC1 1507720206 SSIMMQCRPQUOTQ-XLIONFOSSA-N 459.513 2.041 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](C)N(CC)C(=O)OC(C)(C)C)CC1 1507737552 BQNZXOZWEKVDJG-GOSISDBHSA-N 498.632 2.290 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Oc1ccccc1F 1507773503 RVZLYIPFNMYLHG-DHJUGAMNSA-N 491.589 2.210 30 10 JEEE C=CCn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1508048666 MBMCUEMZIPEQGM-GOSISDBHSA-N 470.574 2.176 30 10 JEEE C=CCOc1ccccc1Cn1c(-c2cccn2C)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1508105030 KVWVVESVUPIOLV-UYAOXDASSA-N 451.527 2.257 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cnccn3)n2CCc2ccc(S(C)(=O)=O)cc2)C1 1508117854 OUNGRYSRFBUYTD-SFHVURJKSA-N 454.556 2.163 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 1508130404 HZVVTKXVPAEZRP-MRXNPFEDSA-N 450.561 2.073 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N1CCNC(=O)C1 1508133559 JTWWEFBXVQLENL-UHFFFAOYSA-N 475.571 2.350 30 10 JEEE Cc1ccc([C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@@H](C)CC(N)=O)N2CCOCC2)o1 1510718381 FVRFGKXFYMWWLM-LAUBAEHRSA-N 477.569 2.492 30 10 JEEE CCO[C@]1(c2nnc(N(C)Cc3cccc(C#N)c3)n2C[C@H]2CCOC[C@@H]2OC)CCOC1 1516140825 DQHLAEKLGWZINH-ZFGGDYGUSA-N 455.559 2.490 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCNC(=O)c1cc[nH]n1 1539010747 CGNQNHCSUGXBIE-SJORKVTESA-N 470.578 2.004 30 10 JEEE C#CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1539115426 BDELMCLICQHROC-QZTJIDSGSA-N 477.569 2.375 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCc1ccncc1)[C@H]1CCS(=O)(=O)C1 1539211368 IFLQDAVGCJJGCV-SFHVURJKSA-N 456.959 2.258 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCc1ccc(OC)c(OC)c1OC)[C@@H]1CCS(=O)(=O)C1 1539216750 WSEQUIJAZAIZRL-GOSISDBHSA-N 499.593 2.168 30 10 JEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCN(C(=O)OC(C)(C)C)C2CC2)CC1 1539460162 YTMUCWOIWAYQGI-UHFFFAOYSA-N 482.633 2.294 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2CC2([S@](C)=O)CCC2)CC1 1539476337 WBSMBWYNPHJHHF-YTTGMZPUSA-N 457.575 2.351 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](CC)NC(=O)OC(C)(C)C 1539539635 WHNQSTHEEIOUOX-WHSLLNHNSA-N 468.624 2.184 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 1540200755 HWBGDLCFNDYOFF-RBUKOAKNSA-N 497.662 2.466 30 10 JEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CCN2CCCC[C@H]2C)CC1 1540858186 LNUJTUDGUKBEOK-CTNGQTDRSA-N 480.679 2.278 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1540862781 JFBOLTJBUKQDRQ-OSPHWJPCSA-N 483.548 2.345 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 1540900845 JWDWBFCCTRJKOK-LJQANCHMSA-N 486.642 2.416 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1C[C@@H]1CCCN1C1CCCCC1 1541920939 HSJOOECPVJPMDM-XLIONFOSSA-N 463.652 2.425 30 10 JEEE CNC(=O)[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CC12CCN(C(=O)N1CCOCC1)CC2 1548377230 FYRJCBPAJCUODO-IBGZPJMESA-N 479.503 2.294 30 10 JEEE C=CCn1c(S)nc2cc(C(=O)N3CC[C@H](C(=O)OC)C[C@H]3[C@@H]3CCCO3)ccc2c1=O 1558481493 KNONOIDDSKTZCR-SNRMKQJTSA-N 457.552 2.444 30 10 JEEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCc1nn(C)c2ccccc12 1567760384 AKGOODJAENZLJZ-LJQANCHMSA-N 453.568 2.385 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H](C)Oc1ccccc1OC)[C@H]1CCS(=O)(=O)C1 1588054016 JVDWFNNDKMSPCL-ZCNNSNEGSA-N 488.610 2.275 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1coc(-c2cccs2)n1 1588181116 PDFOUYFFPYYTPJ-OAHLLOKOSA-N 458.569 2.116 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@H]2CCC(=O)N2)CC1 1588768575 HOOSMZKIASQDCC-QGZVFWFLSA-N 457.376 2.050 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2Cc2snnc2C)CC1 1588876538 CKUJUXMVBHIDFI-KRWDZBQOSA-N 472.619 2.314 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CC(=O)N(C)C)CC1 1588961764 LMENIODSXKRAHP-UHFFFAOYSA-N 493.395 2.218 30 10 JEEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1589134100 DWPZWHJCMKTFKM-ZCNNSNEGSA-N 459.620 2.418 30 10 JEEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](CNC(=O)c2ccccc2)C1 1589708617 QSWVCPGTVANPBC-QZTJIDSGSA-N 460.604 2.111 30 10 JEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccc(C(=O)N(C)C)c2)CC1 1594194017 UWURPNMKTRUERH-INIZCTEOSA-N 460.604 2.041 30 10 JEEE C=CCC(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1594521464 OFRSIWJDGHNYDW-UHFFFAOYSA-N 485.614 2.393 30 10 JEEE C=CCCCCn1c([C@H]2CCCCO2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1594617409 ZAFQACCUUCYIPA-LJQANCHMSA-N 477.635 2.429 30 10 JEEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@@H](COCC)C1 1595544000 DPFBNSVNGLPISS-LJQANCHMSA-N 468.606 2.007 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCC(C)=C(Br)C1 1595788561 CVWUAYPCSTYETG-UHFFFAOYSA-N 498.403 2.486 30 10 JEEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCc2ccccc2C1 1595821464 BTUJAXQYPSCIJM-UHFFFAOYSA-N 471.608 2.433 30 10 JEEE N#Cc1cccc(NC(=S)N[C@@H]2CO[C@@H]3[C@H]2OC[C@H]3n2cc(COc3ccccc3)nn2)c1 1616130067 NYZSTWBTWJLBQU-CZYKHXBRSA-N 462.535 2.423 30 10 JEEE C#CCn1ccc(CN(CCOC)C(=O)Cc2csc(NC(=O)c3cccc(O)c3)n2)n1 1634602156 XJWQLMZKXMIEAO-UHFFFAOYSA-N 453.524 2.148 30 10 JEEE C#C[C@@H](CO)NC(=O)Nc1cc(I)cc(I)c1 1670584462 XZYUQZBGVSCGRR-VIFPVBQESA-N 456.021 2.011 30 10 JEEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1689911000 XIZBBNXUYQSUJL-XMMPIXPASA-N 497.987 2.089 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCc1cccc(C)n1)[C@H]1CCS(=O)(=O)C1 1689994071 QMHDRLCBJMFKQV-FQEVSTJZSA-N 470.624 2.207 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CC[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1689997065 VFZYRRPLADAEAB-PMACEKPBSA-N 458.584 2.219 30 10 JEEE C=C(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN(CCOC)C(=O)C1 1690287712 QDHOLSZIAKJYOA-UHFFFAOYSA-N 462.595 2.264 30 10 JEEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@](C)(C(N)=O)C1 1690346007 ISSGJOYOFGJOIA-VBKZILBWSA-N 454.959 2.041 30 10 JEEE C=CCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1690467932 MVEGHTGSUSSAQC-UHFFFAOYSA-N 491.596 2.356 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCOC[C@H]1C 1690603515 COFDSZJSTDWFJJ-IRLDBZIGSA-N 473.643 2.136 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1nc2c(s1)CCCC2 1690622441 POCJUTBJQZAYFU-MRXNPFEDSA-N 465.645 2.397 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1690665438 DFQLBLSSGIQVMV-HXUWFJFHSA-N 466.586 2.483 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 1690675718 CJYZBQDWECLVCK-YLJYHZDGSA-N 495.584 2.380 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H]2CC[C@H](CO)O2)C1 1690687982 LZGFHANGTWWCMP-YESZJQIVSA-N 466.380 2.367 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1690717672 NAZOBBXGYZLAOI-MSOLQXFVSA-N 463.991 2.447 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1690719022 FVMIPCSCYRTJKI-UHFFFAOYSA-N 493.593 2.148 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(N2CCOCC2)c1 1690993294 HYCNWKUHWZVCFY-SFHVURJKSA-N 460.542 2.406 30 10 JEEE C[C@H](c1ccco1)N(C)c1nnc(COc2ccc(C#N)cc2)n1CC(=O)N1CCOCC1 1692650593 AJQRYVXUNQXIKU-QGZVFWFLSA-N 450.499 2.378 30 10 JEEE C#CCCCCn1c(N2CCN(c3ccc(C(N)=O)cc3)CC2)nnc1[C@]1(OCC)CCOC1 1705521500 CYOLQCMUHMFKIR-VWLOTQADSA-N 466.586 2.159 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1C[C@H]1CN(Cc2ccccc2)CCO1)[C@H]1CCS(=O)(=O)C1 1705560411 KPETXPHGAOSVAF-FCHUYYIVSA-N 485.654 2.103 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H](C(CC)CC)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1705565434 HMLYLSVZCRCZPQ-UNMCSNQZSA-N 488.658 2.037 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1cc(F)ccc1SC)[C@H]1CCS(=O)(=O)C1 1705566798 QCHDPDXDSKOUPH-YJBOKZPZSA-N 464.588 2.318 30 10 JEEE C#CCN(c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCC(C)C)[C@H]1CCS(=O)(=O)C1 1705566990 TUKCOEQPJDRUBA-SFHVURJKSA-N 482.610 2.255 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1oc(CC)nc1C 1705576808 QPQGMBAKZQFTKK-UHFFFAOYSA-N 466.567 2.175 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1705589859 YIOWCODIQQGSSI-QGZVFWFLSA-N 459.476 2.273 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CCc2ccc(OCC(F)(F)F)nc2)CC1 1705639795 WOPFEXBVJTXPOA-GOSISDBHSA-N 464.492 2.116 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@]2(C)CCCS2)CC1 1705650867 AWAGSUNQZKNBPI-HSZRJFAPSA-N 455.632 2.391 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC2([S@@](C)=O)CC2)CC1 1705652966 UINPDBISWPUDGV-SQQYVQODSA-N 475.659 2.074 30 10 JEEE C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1ccco1 1705689085 XXNJAQTXZFYQPS-ZBFHGGJFSA-N 486.392 2.454 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1Cn1cccn1 1705716409 KEYMQIJDPPGMOU-QFIPXVFZSA-N 499.641 2.307 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2Cc2cccc(OCC(=O)N(C)C)c2)C1 1705925275 NENDOENZVNHYKS-PZJWPPBQSA-N 455.559 2.079 30 10 JEEE CCN(CC)CCCn1c(Cc2ccncc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1710062923 CQFJGXYTKVUKCY-HXUWFJFHSA-N 474.617 2.373 30 10 JEEE COc1ccc(Br)c(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@]2(O)CCSC2)c1 1711714910 CPJRGRRSLJJDOX-KUHUBIRLSA-N 480.388 2.313 30 10 JEEE C#CCCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCS(=O)CC1 1722318177 MSZYALHYQZQJOG-UHFFFAOYSA-N 454.644 2.015 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@H]1CN(Cc2ccccc2)CCCO1)[C@@H]1CCS(=O)(=O)C1 1722358598 JLKQXXFVRSNUJE-PKTZIBPZSA-N 499.681 2.493 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1Cc1ccc(N(C)C)nc1)[C@@H]1CCS(=O)(=O)C1 1722360531 AADVDLZGMKBEGI-HXUWFJFHSA-N 480.594 2.090 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1Cc1nccc(C(F)F)n1)[C@@H]1CCS(=O)(=O)C1 1722364478 HHLHPNVOVPQXOM-QGZVFWFLSA-N 490.511 2.411 30 10 JEEE C#CCN(c1nnc(C2CCCC2)n1Cc1ccc(C(=O)NCC)cc1)[C@@H]1CCS(=O)(=O)C1 1722367232 LECFVXGWCCSJGC-OAQYLSRUSA-N 469.611 2.360 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1Cc1snnc1C)[C@@H]1CCS(=O)(=O)C1 1722370391 BSKGAIHEYIHCPK-QGZVFWFLSA-N 472.596 2.000 30 10 JEEE C=C(Br)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCNC(=O)[C@@H]1CC 1722482627 CDUVXUNQRMQPTB-AWEZNQCLSA-N 458.320 2.217 30 10 JEEE C=C(C)COCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCS(=O)(=O)CC1 1722535967 AWWOWUIWBFZJSE-UHFFFAOYSA-N 483.635 2.220 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ccc(F)c(F)c2)CC1 1722566276 ODWSGHZSBUJDBX-LJQANCHMSA-N 467.542 2.288 30 10 JEEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 1722618971 XWYFIVXHTICIDH-HXUWFJFHSA-N 457.600 2.038 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1NC(=O)CC1(C)C 1722654193 JVLIIOXMDNNKQD-QUCCMNQESA-N 487.626 2.296 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c(-c2cnn(C)c2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1)C(C)C 1722664662 FEZDUZAJOXRSHI-HMXCVIKNSA-N 452.607 2.092 30 10 JEEE C=CCOc1ccccc1Cn1c(Cc2csc(C)n2)nnc1N1CCO[C@@H](C(=O)NC)C1 1722708604 ZGFRUDUOQCCRTA-HXUWFJFHSA-N 468.583 2.198 30 10 JEEE CC(=O)N1CCN(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCC(OC(C)C)CC2)CC1 1722795013 BZAJIKOWYFQYPK-UHFFFAOYSA-N 465.602 2.375 30 10 JEEE C[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)N2CCSCC2)[C@@H]1C 1726603166 CURIWKKCMQQVAE-DLBZAZTESA-N 460.629 2.430 30 10 JEEE CO[C@@]1(Cn2c(CC(C)(C)C)nnc2N2CCN(c3nccnc3C#N)C[C@H]2C)CCOC1 1729948625 FDVXMMQYWNRVAA-UZUQRXQVSA-N 454.579 2.049 30 10 JEEE COC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1)OC 1730465827 AXCWPKDQNQLWFH-NZQKXSOJSA-N 495.628 2.001 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2ccccc2F)n1CCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1740616914 IWOYNHHAVCWALD-MOPGFXCFSA-N 475.590 2.280 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H](c1cccc(F)c1)N(C)C)[C@H]1CCS(=O)(=O)C1 1740625563 GRSRRRSRBWCKKU-BAGYTPMASA-N 489.617 2.241 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H](C)CN1CCOCC1 1740668906 DULIPGBAKJGHIP-IBGZPJMESA-N 463.586 2.103 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCO[C@@H]1CCOC1 1740677551 WSIFYISEQMTWEA-TZIWHRDSSA-N 476.574 2.155 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2CC2CCN(C3CC3)CC2)CC1 1740701019 RCLXMAGSRWEBAS-UHFFFAOYSA-N 483.661 2.037 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC2(CCCC2)C1 1740849999 AGAAZMGWLZHWBO-GOSISDBHSA-N 467.636 2.363 30 10 JEEE C=CCCOCCn1c(N2CCc3nc(O)c(C#N)cc3C2)nnc1[C@@]1(OCC)CCOC1 1740888139 KPYVJOIRCIZKQV-HSZRJFAPSA-N 454.531 2.058 30 10 JEEE C=CCN(CCc1ccco1)c1nnc(-c2ccccn2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1740936366 RETBGDDXTKJOCE-SFHVURJKSA-N 456.572 2.450 30 10 JEEE C=CCn1c(N2CC[C@@H](N3CCN(CC)CC3)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740949726 QLOZTFHHAFOZOJ-HSALFYBXSA-N 459.639 2.451 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1740951224 TYLQFMMHIKAAHX-HXUWFJFHSA-N 481.601 2.335 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CCC[C@@H](n2cncn2)C1 1740964498 PQWMKHLRORTXJV-LJQANCHMSA-N 450.547 2.155 30 10 JEEE CCn1nc(-c2nnc(N3CCC(CC#N)CC3)n2C[C@H](COC)OC)c2ccccc2c1=O 1746471209 BPHVKWWGGUUVEK-GOSISDBHSA-N 465.558 2.466 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(-n2ccnc2C)c(F)c1 1748670533 AAAUZPXRMYDJGT-QAPCUYQASA-N 456.547 2.320 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1CC1(C)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1748819205 MCUHNKVQIAIQQV-HXUWFJFHSA-N 472.611 2.321 30 10 JEEE C#CCN(c1nnc(CCOc2ccccc2)n1C[C@@H]1CCCN1CC)[C@@H]1CCS(=O)(=O)C1 1748820488 COLYQLYIUJPRQT-LEWJYISDSA-N 471.627 2.011 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCc1nnc(C)s1 1748859545 USXPADJHAKPFLK-GOSISDBHSA-N 485.614 2.452 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H](c2cccc(OC)c2)N(C)C)CC1 1748989709 BZYSPPQZQWURDF-GMAHTHKFSA-N 452.603 2.239 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1Cc2ccc(Br)cc2C1 1749650087 JABWJLHVPNRGJR-UHFFFAOYSA-N 459.348 2.099 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 1749677359 WYSUGGFEJRHGSH-OAQYLSRUSA-N 466.611 2.088 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](c2ccccc2)N2CCOCC2)C1 1749693448 IZDKNVWHJQGKRP-YADHBBJMSA-N 468.602 2.271 30 10 JEEE CC(=O)N1CCN([C@H]2CN(c3nnc(CC(C)(C)C)n3Cc3ccc(C#N)o3)C[C@@H]2C)CC1 1749884225 OVJABXDURHOXQC-UWJYYQICSA-N 453.591 2.368 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CC2(SC)CCOCC2)c1 1760126950 NABBJUULDZOTMX-UHFFFAOYSA-N 496.637 2.483 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CSCCS1)[C@@H]1CCS(=O)(=O)C1 1760182277 DULGOAAUOKUFPN-RTBURBONSA-N 473.649 2.292 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2cccnc2OCC(F)F)CC1 1760256770 KQOOMLKABLYYPY-DEOSSOPVSA-N 490.555 2.161 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CCc2nccnc2C)CC1 1760258803 SRFIRAABVPGDMZ-UHFFFAOYSA-N 461.570 2.449 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2CC(=O)NCC(F)(F)F)CC1 1760258996 WJLLDSPEERNDNE-UHFFFAOYSA-N 494.518 2.176 30 10 JEEE C=C(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1760346087 HVGXFFQYNLVYPN-HXUWFJFHSA-N 489.646 2.058 30 10 JEEE C=C(C)COCCn1c(N2CCN(C(=O)c3ccc(O)cc3)CC2)nnc1[C@]1(OCC)CCOC1 1760361556 MYORURTWODZZLM-VWLOTQADSA-N 485.585 2.191 30 10 JEEE C=C1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCCN(CC)S(C)(=O)=O)CC1 1760388724 YUTUDSRIYSMNSO-UHFFFAOYSA-N 485.614 2.020 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@H](CC)O[C@H](C)C1 1760517418 LQQUDILEYKMEQU-WBVHZDCISA-N 459.547 2.277 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCCN(CC(F)(F)F)CC1 1760527721 GSXIGWZTDHVEKQ-UHFFFAOYSA-N 470.471 2.373 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ccc(F)cn2)CC1 1760551481 GTHJLUUWBSHCJT-UHFFFAOYSA-N 481.557 2.278 30 10 JEEE C#CCN(CC#CC)c1nnc(COc2ccc(Cl)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1772516289 CNLAKIRNIYGUGP-SFHVURJKSA-N 476.002 2.255 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)COc3cccnc3NC(=O)N(C)CCC(=O)O)cc21 1858807052 JQMGLPKEAKJGDX-UHFFFAOYSA-N 468.466 2.193 30 10 JEEE C=CCOC(=O)NS(=O)(=O)c1ccc(CNC(=O)c2cncc(Br)c2)cc1 1858963677 FSJBFIKRNNWDDR-UHFFFAOYSA-N 454.302 2.375 30 10 JEEE CCCCCCCCNC(=O)[C@H]1C[C@H](O)CN1C(=O)c1ccc2c(c1)C(=O)N(CCCOC)C2=O 1861516503 JSXOIALEUVWBFN-SIKLNZKXSA-N 487.597 2.371 30 10 JEEE COC(=O)CSc1nnc([C@@H]2CC(=O)N(Cc3ccccc3)C2)n1/N=C/c1ccc(O)cc1O 1874211577 SHKYCWVYOXYBAA-SCWWFSKWSA-N 481.534 2.353 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N=c1ccc(I)n[nH]1 2060513159 UHPXYYWBOKZXCC-LLVKDONJSA-N 459.288 2.419 30 10 JEEE CC1(C)OB(c2cnsc2C(=O)NC[C@H]2CN(C(=O)OCc3ccccc3)CCO2)OC1(C)C 2255842083 MQEXIUXBEQKBSZ-KRWDZBQOSA-N 487.387 2.210 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC2(NC(=O)OC(C)(C)C)COC2)s1 2255859383 RFORXMHHJYKGPX-UHFFFAOYSA-N 452.382 2.379 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1CN2S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2255941905 KPBUFXJHNOBUFT-KBPBESRZSA-N 470.422 2.430 30 10 JEEE Cc1csc(CNC(=O)[C@]2(NC(=O)OC(C)(C)C)C[C@@H](O)C2)c1B1OC(C)(C)C(C)(C)O1 2268719430 DQIRVPJJIDNQNX-XLOAEROZSA-N 466.409 2.390 30 10 JEEE CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2269697396 GQLVBLMHVNGATG-QGZVFWFLSA-N 452.332 2.017 30 10 JEEE Cc1c(C(=O)N2CCN(C(=O)OC(C)(C)C)CC[C@H]2C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281808601 WLIMBFBSRIDIFM-OAHLLOKOSA-N 462.400 2.499 30 10 JEEE COc1cccc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@](C)(NC(=O)C(F)(F)F)C1 2282005530 NKVONRINIMBLRE-FQEVSTJZSA-N 456.270 2.278 30 10 JEEE CCc1nc(C(=O)N[C@@]2(CO)CCN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2282017431 KKIHLPRCRWADKP-QFIPXVFZSA-N 481.424 2.106 30 10 JEEE CN(CCCCCNC(=O)OC(C)(C)C)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282348108 HKMBWOIDDGDTFX-UHFFFAOYSA-N 486.444 2.035 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@]2(C[C@@H](NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)c[nH]3)CO2)C1 2282634965 SOOQBUHSGKFMEP-MWTRTKDXSA-N 461.368 2.212 30 10 JEEE COC[C@]1(NC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)CCN(C(=O)OC(C)(C)C)C1 2282664319 BDWDVGXTDJQYTO-QHCPKHFHSA-N 461.368 2.137 30 10 JEEE C[C@H]1CN(S(=O)(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)CC[C@@H]1NC(=O)C(F)(F)F 2282868565 PBWUMVZICHYHKF-ZFWWWQNUSA-N 476.326 2.063 30 10 JEEE CC(C)(C)OC(=O)NC1CCN(CC(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)CC1 2283960421 XSICHVRUGKRSTN-UHFFFAOYSA-N 480.440 2.048 30 10 JEEE C[C@]12CC[C@H]3[C@H](CC[C@]4(O)C[C@H](O)CC[C@]34C=NN3CCOCC3)[C@@]1(O)CC[C@H]2C1=CC(=O)OC1 2297639203 CERLQMOZFXRTGG-ADZLIVFDSA-N 488.625 2.017 30 10 JEEE Cc1c(C=C2SC(=S)N(C[C@@H]3CCCO3)C2=O)c(N2CCSCC2)n(C)c(=O)c1C#N 2314435843 VBCNXJVLFKVJPW-AWEZNQCLSA-N 476.649 2.499 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@H]1CN(C(=O)c1ncc(B3OC(C)(C)C(C)(C)O3)cn1)C2 2359266884 BDSVBKLJNRZFOG-BFYDXBDKSA-N 458.368 2.151 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)C1(C)C 2362325219 BUVHFNJBZNKSKT-LSDHHAIUSA-N 462.400 2.389 30 10 JEEE COc1nc(O[C@]2(CNC(=O)OC(C)(C)C)CCN(C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2365376930 XOTPJPNQLOQZLW-QHCPKHFHSA-N 463.384 2.367 30 10 JEEE COc1cc(NC(=O)CSc2n[nH]c(N/N=C/c3c(C)nn(C)c3C)n2)cc(OC)c1OC 59309860 LLNGDCYBWKENBX-ZVBGSRNCSA-N 474.547 2.358 30 10 JEEE C[C@@H](C(=O)c1ccc2c(c1)N(C)C(=O)CO2)[S@@](=O)CC(=O)Nc1sc2c(c1C#N)CCC2 586354314 YEBIKDHXBWFZRV-HHAIEFTPSA-N 471.560 2.422 30 10 JEEE N#CC(C(=O)c1cc(Cl)cc(Cl)c1)=c1sc(=Cc2ccccc2)c(=O)n1CC(N)=O 589158870 DXNVXPWNFJGSET-UHFFFAOYSA-N 458.326 2.088 30 10 JEEE C#CCNC(=O)CN1CCN(CC(=O)Nc2nc(-c3ccc(C(C)(C)C)cc3)cs2)CC1 728572858 NQXINOXDGCIOBZ-UHFFFAOYSA-N 453.612 2.413 30 10 JEEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[C@H](Oc3ccnc(CN(C)CC)c3)C2)c1 856540806 UCFOHSXEAXMKIJ-NRFANRHFSA-N 458.584 2.291 30 10 JEEE COC(=O)C1=C(C)N=c2sc(=Cc3ccccc3OCC#N)c(=O)n2[C@H]1c1ccc(O)c(OC)c1 1082832845 ZWMDUXIPRLDWIY-QFIPXVFZSA-N 491.525 2.025 30 10 JEEE Nn1c(NN=Cc2ccc(O)cc2O)nnc1SCC(=O)Nc1ccc(OC(F)(F)F)cc1 1083944756 STPMTQQBYKTAOZ-UHFFFAOYSA-N 483.432 2.479 30 10 JEEE COC(=O)c1ccc(C=NNc2nc(SCC(=O)NCc3cccc(OC)c3OC)n[nH]2)cc1 1084032769 BLXAOFZEYXFXNI-UHFFFAOYSA-N 484.538 2.463 30 10 JEEE C=CCn1c(SCC(=O)N[C@H]2CCC(=O)NC2=O)nnc1-c1ccc(Cl)cc1Cl 1137663551 FEHZDONWMASZLR-ZDUSSCGKSA-N 454.339 2.451 30 10 JEEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 1213711564 IOTDJTBNCXVPKX-UHFFFAOYSA-N 456.586 2.114 30 10 JEEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](C)N1CCN(c2ccccc2)CC1 1286359370 UTNXDXDGBQXZMO-FQEVSTJZSA-N 458.570 2.206 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccccc1CN1CCC[C@H]1CO)[C@H]1CCS(=O)(=O)C1 1286382985 BXYBAELFRILWDV-GOTSBHOMSA-N 499.681 2.207 30 10 JEEE C#CCN(c1nnc(-c2ccccc2)n1CCCC(=O)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1286387263 PJJPYGGUFQOKKR-HXUWFJFHSA-N 457.600 2.220 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CC1(C(=O)N(C)C)CCCC1)[C@H]1CCS(=O)(=O)C1 1286388851 WCKOPYRACLXKIU-NRFANRHFSA-N 494.621 2.092 30 10 JEEE C#CCN(c1nnc(-c2c[nH]c3ccccc23)n1CC(C)(C)C(=O)NCC)[C@H]1CCS(=O)(=O)C1 1286389914 SPTZNWAOJKFUBW-KRWDZBQOSA-N 482.610 2.215 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccc(NC(=O)CCC)cc1)[C@H]1CCS(=O)(=O)C1 1286394627 OYOFUIUPUSTEOS-FPOVZHCZSA-N 485.610 2.196 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCOCC1 1286555880 LSQXOBASUMRTPD-FHWLQOOXSA-N 463.579 2.404 30 10 JEEE C=C(C)COCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1286602954 GJKZBEHWUCKOMG-UHFFFAOYSA-N 489.020 2.172 30 10 JEEE CC(C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1Cc1ccc(S(C)(=O)=O)cc1 1287215708 BZJDHGBHMJBCET-UHFFFAOYSA-N 465.583 2.447 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2oc(CC)nc2C)c1 1300334222 IPZBRULUCQJKFG-SFHVURJKSA-N 496.593 2.144 30 10 JEEE C#CCCCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1300347860 GPPZBJWNUGXZDJ-UHFFFAOYSA-N 464.570 2.028 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1ccc(C)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1300498634 MFJLGPYRTCGQES-OAQYLSRUSA-N 465.579 2.256 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@H](C)N1CCN(CC)CC1 1300577774 BINWJUAPPQWJAZ-XUZZJYLKSA-N 462.598 2.280 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2C[C@@H](C)CN2CCN(CC)CC2)CC1 1300701092 GEQZBSHAGGUSNX-QHCPKHFHSA-N 463.674 2.206 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2Cc2ccc(C(=O)NCC)cc2)CC1 1300726303 JZFMNYYOOLQSAP-UHFFFAOYSA-N 485.592 2.028 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1300844756 SFSCIHZMSDOCSK-NSISKUIASA-N 495.466 2.460 30 10 JEEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1301188445 JTXNRMOGHVKKIT-CABCVRRESA-N 463.526 2.041 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CC[C@H](CN(CC)CC(F)(F)F)C1 1301490813 FDJVKPIZPQYXMW-MRXNPFEDSA-N 453.513 2.296 30 10 JEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC(C)(c2nc(C)no2)CC1 1301508935 XBAHZKRJTJERTB-UHFFFAOYSA-N 456.576 2.186 30 10 JEEE C=CCOc1ccc(Cn2c(-c3ccccn3)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)cc1 1301519904 ZLUGUTYIPOAWBT-SFHVURJKSA-N 468.583 2.423 30 10 JEEE C=CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1301612867 QHIQJGNEIFCAEA-SFHVURJKSA-N 456.620 2.332 30 10 JEEE COCC[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CC2)C1 1316001456 BDXKEWVUEJXIGA-SFHVURJKSA-N 459.572 2.169 30 10 JEEE N#Cc1cccc(-c2nnc(N3CCS(=O)(=O)CC3)n2CC2CCN(CC(F)(F)F)CC2)c1 1316530329 HOKUWZDFKMCHDX-UHFFFAOYSA-N 482.532 2.326 30 10 JEEE COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CCN(C(=O)[C@@H](CC#N)c2ccccc2)CC1 1356377670 GKCBDJVAYVONJT-SFHVURJKSA-N 459.524 2.213 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(C)CN(C2CC2)C1=O 1358889389 BFCFAYADCMRQTB-KEWLPNKHSA-N 472.590 2.055 30 10 JEEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1C[C@@H]1CCOC[C@@H]1OC)[C@H]1CCS(=O)(=O)C1 1358956219 BYWLFIUPWOUOOY-GPJHCHHRSA-N 486.638 2.498 30 10 JEEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC[S@@](=O)C(C)(C)C 1358981833 ZHPUMQIHBBASCS-UUWRZZSWSA-N 480.682 2.263 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(F)cc2C(F)(F)F)CC1 1359035560 XRQSYIUWXSIHQJ-QGZVFWFLSA-N 450.440 2.191 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2CCCNC(=O)c2cccc(O)c2)CC1 1359037556 NXFUOWGAAOGRPR-UHFFFAOYSA-N 464.595 2.211 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCC(=O)N2)n1CCN1CCN(C)C(C)(C)C1 1359277406 LFOJYOURNYIRIJ-HXUWFJFHSA-N 455.607 2.083 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@H](c2nc(C)no2)C1 1359292526 RKEWNYQSPJYMOO-KRWDZBQOSA-N 498.975 2.239 30 10 JEEE C[C@@H]1C[C@H](CCn2c(COc3ccc(C#N)cc3)nnc2N2CCN(S(C)(=O)=O)CC2)CCO1 1493302900 BZPLYWGRIXIZOR-RTBURBONSA-N 488.614 2.016 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(C(=O)N2CCCC2)n1CCN1CCSCC1 1504872576 CTXMVKVVIAHMOA-UHFFFAOYSA-N 483.642 2.088 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC1(C(N)=O)CCOCC1 1507533014 PAOBCTLAHFXVLR-KRWDZBQOSA-N 474.606 2.133 30 10 JEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)c1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1507622693 KSLDKGDSRWKXCU-TZIWHRDSSA-N 469.611 2.253 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2Cl)n1CCn1cncn1)[C@@H]1CCS(=O)(=O)C1 1507626123 DADCXIBFMPZMRJ-OAHLLOKOSA-N 480.381 2.170 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Cl)n1C[C@@]1(C)COCCO1)[C@@H]1CCS(=O)(=O)C1 1507628865 ISALYQWCKGMNRM-IERDGZPVSA-N 464.975 2.031 30 10 JEEE C#CCN(c1nnc(CCCc2ccccc2)n1CC(C)(C)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1507638848 HGPVJIKXCHRRPC-HSZRJFAPSA-N 499.681 2.191 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2cccc(C)c2C)CC1 1508071602 KRTUHMLPMBUWCO-UHFFFAOYSA-N 474.569 2.171 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCN(CC(F)(F)F)CC1 1508072272 ILYZOITYFBZHLH-UHFFFAOYSA-N 467.452 2.230 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCN(CC(C)C)CC1 1508073028 LTEFMOBFFOIHHX-UHFFFAOYSA-N 464.412 2.126 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1508142705 GCVYDSVMMBRVIP-NRFANRHFSA-N 476.647 2.330 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCO[C@@H](c3ccccc3F)C2)nnc1[C@]1(OCC)CCOC1 1508150057 ZBHIYFXEKKUCIB-OFNKIYASSA-N 494.589 2.248 30 10 JEEE CC(C)C[C@@H](Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@](F)(C#N)C1)N(C)C 1509107921 ICNPUYQNMBWCRG-UGKGYDQZSA-N 452.542 2.339 30 10 JEEE N#Cc1ccc(N2C[C@H](C(=O)NCc3cnc(N4CCOCC4)c(F)c3)CC2=O)cc1Cl 1528264387 HITOQWHMEASQSS-MRXNPFEDSA-N 457.893 2.252 30 10 JEEE C#CCCCn1c(N2CCN(C[C@H](O)c3ccccc3)CC2)nnc1[C@]1(OCC)CCOC1 1539139253 CFDFMDXGQGTSFF-DHLKQENFSA-N 453.587 2.199 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@](C)(O)c1cccs1 1539409167 QJWLFQVGRXDVGD-DEOSSOPVSA-N 478.578 2.247 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccn3C)n2Cc2cc(OC)c(OC)c(OC)c2)CC1 1539444078 FKDBCMSQWQHWLW-UHFFFAOYSA-N 450.543 2.113 30 10 JEEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2C[C@H]2CN(CC(C)C)CCO2)CC1 1539459233 AFESTUIKVLDIDW-XMMPIXPASA-N 466.630 2.278 30 10 JEEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2Cc2ccc(C)n(C)c2=O)CC1 1539459298 COVMQHDECWIRIY-UHFFFAOYSA-N 460.582 2.285 30 10 JEEE C=C(Cl)Cn1c(N2CCC(OCC(N)=O)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1539819286 AZJILQWMFOXVLE-GASCZTMLSA-N 468.986 2.272 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1539915880 FRAPCMDUGMHRPF-IBGZPJMESA-N 486.642 2.208 30 10 JEEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCNC(=O)Cc1cccc(F)c1 1540063983 HWDPXWXDGOPETE-UHFFFAOYSA-N 485.589 2.358 30 10 JEEE C=CCn1c(COc2ccc(Br)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1540860120 MKQQNXYFLLFNLB-UHFFFAOYSA-N 470.393 2.277 30 10 JEEE CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCCN2CCC[C@@H]2CO)[C@@H](C)C1 1540982534 STDFYFUEJVHJNQ-WMZHIEFXSA-N 465.602 2.111 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCC(=O)N1CCCCCC1 1541109606 ICOLSBLGKUOASU-SFHVURJKSA-N 462.562 2.309 30 10 JEEE N#Cc1cn(CCC(=O)N2CCN(c3cccc(OCc4ccccc4)c3)CC2)c(=O)nc1O 1558127953 AISBHEDXNQKUNT-UHFFFAOYSA-N 459.506 2.138 30 10 JEEE C=CCCC[C@H](NC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)OC 1558380729 FCJJNZUVKLBGID-ZWKOTPCHSA-N 453.517 2.152 30 10 JEEE Cc1ccc(C(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)cc1S(=O)(=O)N1CCOCC1 1567193941 GDVNHCWXFOUYKE-OAQYLSRUSA-N 455.536 2.101 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCC(=O)Nc1cccc(Cl)c1C 1587561093 BASZUMQPXJODIV-ZFWWWQNUSA-N 466.995 2.337 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCCCCC2)nc1 1587640391 QVBIQVSNXOFVFE-QUCCMNQESA-N 456.616 2.462 30 10 JEEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@H](CNC(=O)CCC)C1 1587831009 GZUCTEZXIMDXRC-LJQANCHMSA-N 461.574 2.467 30 10 JEEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1587861896 RCXBXWBMFKHXTF-QZTJIDSGSA-N 481.619 2.013 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1CC1(N(C)C)CCC1)[C@@H]1CCS(=O)(=O)C1 1588069510 PMCAEBURGAPERJ-OAQYLSRUSA-N 455.628 2.174 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCC(C)CC1 1588646029 GCGACEYKOIDNII-OAQYLSRUSA-N 490.649 2.404 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCOc2ncccc2F)CC1 1588733659 XSCKYAGKOYPOAW-UHFFFAOYSA-N 497.962 2.230 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2cccc(OC)c2)CC1 1588837350 QOOKSUJSAGYPMH-QFIPXVFZSA-N 496.612 2.399 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC2CCN(C(C)=O)CC2)CC1 1588876939 ORZWJMKLZBMHCI-QFIPXVFZSA-N 499.660 2.364 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[C@H]2CCCCO2)CC1 1588899175 LYBKDYVJRFLNRO-OAQYLSRUSA-N 499.637 2.274 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2C[C@H]2CC(F)(F)CO2)CC1 1588913581 NOEQVSYKJHFZLI-QGZVFWFLSA-N 459.497 2.344 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2F)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1589250688 AVOBHRABCLQQBY-VGOFRKELSA-N 461.563 2.270 30 10 JEEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1594679294 CTUXYCWOZYZNBD-MRXNPFEDSA-N 463.564 2.089 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1595648263 AQICJKZFCZMMKZ-OAQYLSRUSA-N 479.585 2.440 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2c(CC)nn(C)c2OC)C1 1595745556 SIOOVWWCWGEFNF-SFHVURJKSA-N 454.579 2.274 30 10 JEEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1ccco1 1595883973 DXASRCSENLWHKP-FUHWJXTLSA-N 467.617 2.465 30 10 JEEE CC(=O)N1CCN([C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCN(C)C(C)C)C[C@@H]2C)CC1 1596267807 MSCCXASFOZFOEN-RDPSFJRHSA-N 478.645 2.146 30 10 JEEE CCOCc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1C[C@H](C)N1CCOCC1 1616885864 AMBXQISPLBCSQN-NRFANRHFSA-N 467.618 2.119 30 10 JEEE CO[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1618946279 AMEFCCOLGILJRA-QGZVFWFLSA-N 479.541 2.459 30 10 JEEE CS(=O)(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOc2ncccc2F)CC1 1620154520 FBQBSIXAJARKCT-UHFFFAOYSA-N 470.530 2.443 30 10 JEEE C=CCc1ccc(OCC(=O)NCc2ccc(CN3CCS(=O)(=O)CC3)cc2)c(OC)c1 1627090762 BJBSXGZYLLLOJY-UHFFFAOYSA-N 458.580 2.349 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CCCOC2CCOCC2)c1 1689868582 LEIAYDHQAFCHMO-UHFFFAOYSA-N 494.596 2.156 30 10 JEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H](C)N1CCC[C@H](C)C1 1689951086 LLVRGEUEOBJLHZ-OALUTQOASA-N 458.632 2.385 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCOc1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 1689996196 DYBNZKMVHRTZEM-NRFANRHFSA-N 482.610 2.154 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(Cn2cccn2)cc1 1689999500 CIJXLSLJBBBUJP-UHFFFAOYSA-N 450.506 2.291 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(CC(=O)NCC)CC1 1690254889 KBQZQRRFZUXBJI-KKSHJYNMSA-N 488.677 2.436 30 10 JEEE C=CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1690469413 OIOBCNYICFYDFB-TXBYWVTISA-N 460.579 2.173 30 10 JEEE C=CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1690482850 BOFVRFRUWODYLB-IBGZPJMESA-N 459.620 2.432 30 10 JEEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1690643707 PPIJLMCDVOMOLG-HXUWFJFHSA-N 487.649 2.321 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(Br)c3)n2CCNS(C)(=O)=O)C1 1690687441 BLGHEJGNXWSREC-INIZCTEOSA-N 470.393 2.038 30 10 JEEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 1690733913 QNTUCWRJZMYFKE-MRXNPFEDSA-N 498.700 2.140 30 10 JEEE CCOc1c(OC)cc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)[C@H](C)CC#N)cc1OC 1696096152 HKKBGHQSOKXVLY-NVXWUHKLSA-N 477.587 2.383 30 10 JEEE CCOC1CC(O)(Cn2c([C@H](C)CC)nnc2N2CCN(c3nccnc3C#N)C[C@@H]2C)C1 1696194206 GYPXVUICKYJNIT-HAUMNHCFSA-N 454.579 2.098 30 10 JEEE CCOC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)NC(C)C)C1 1696388227 DOYCERWNHWFSMI-LJQANCHMSA-N 460.604 2.397 30 10 JEEE C[C@H]1CN(C2CCOCC2)CCN1c1nnc(COc2ccc(C#N)cc2)n1CC(C)(C)O 1698458612 ATLGQJHXPKXJTO-SFHVURJKSA-N 454.575 2.189 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2ccc(F)cc2F)CC1 1705494873 HPBHHPNFHACNQS-DNVCBOLYSA-N 479.553 2.079 30 10 JEEE C#CCCCCn1c(Cc2ccccc2OC)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1705517899 CDKPOCYSIMUXLN-QFIPXVFZSA-N 464.614 2.424 30 10 JEEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccsc1)[C@H]1CCS(=O)(=O)C1 1705562196 YSCMKDWSVUICCK-SFHVURJKSA-N 490.632 2.085 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1705633178 LEXKFNPMIUXZFX-RBUKOAKNSA-N 475.590 2.137 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2ccnc(SC)c2)CC1 1705634408 UUZLTAURDLTVHH-UHFFFAOYSA-N 482.635 2.269 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2Cc2cc(C)no2)CC1 1705644471 RKUGZZQFFFDVKP-UHFFFAOYSA-N 475.553 2.458 30 10 JEEE C=CCC(C)(C)Cn1c(-c2cnccn2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1705789583 PRWWJIYTOUJDOU-IBGZPJMESA-N 452.607 2.470 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CCN1CCOC[C@@H]1C 1705856969 MMJUPMBEUFCHNZ-RXVVDRJESA-N 454.575 2.151 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@H](C)CC1 1705896550 QHMWSEXSIKICBJ-KRWDZBQOSA-N 460.604 2.124 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1705930305 KMWCGSOVPHCTAT-QGZVFWFLSA-N 458.650 2.330 30 10 JEEE CC(=O)N(C)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2([S@](C)=O)CC2)CC1 1705957626 FLWJHBPTWCIGGU-XIFFEERXSA-N 470.599 2.087 30 10 JEEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCO[C@H](C)C2)CCN1S(C)(=O)=O 1707983989 HJULDWBRNKXVHR-YQVWRLOYSA-N 458.588 2.102 30 10 JEEE CCOCc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CCC1(O)CCOCC1 1710731114 GYMGEBBJKWWSJM-UHFFFAOYSA-N 458.538 2.084 30 10 JEEE CN(Cc1ncc(Cl)n1C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1711120237 FCCWDVRAWNAFOH-MRXNPFEDSA-N 489.005 2.122 30 10 JEEE CN(C[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCC(C)(C)O)C1)S(C)(=O)=O 1711149809 DFQNNTBMCPAAMG-SFHVURJKSA-N 460.604 2.086 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1ccc(C)n(C)c1=O 1722397248 IHEIMQNNMACYGC-UHFFFAOYSA-N 453.506 2.112 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCC1CCN(CC(F)(F)F)CC1 1722419149 POSBJPRSZWUESK-UHFFFAOYSA-N 470.540 2.265 30 10 JEEE C=C(Br)Cn1c(Cc2cccnc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1722488150 BAZFSEFHEBPFFD-GOSISDBHSA-N 452.378 2.188 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1722496213 WCXLJKWZDGHLLI-NHCUHLMSSA-N 470.599 2.270 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1CCN1CCN(C(C)=O)CC1 1722517969 QUYZKIIXWHSPCC-QFIPXVFZSA-N 454.575 2.357 30 10 JEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1 1740590085 FDKRJMHRDYCPKL-KRWDZBQOSA-N 465.620 2.477 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CCN1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 1740618563 JAHQIOUJGRRDDS-JOCHJYFZSA-N 453.612 2.396 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@@H]1CCN(CCC)C1)[C@H]1CCS(=O)(=O)C1 1740620687 HCUGVEHINNVULQ-UXHICEINSA-N 471.627 2.312 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCO[C@@H]1CCCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1740624703 KZKLVIMDJFKCKF-YUXAGFNASA-N 488.658 2.362 30 10 JEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H](C)CN1CCCC1 1740633082 USRGGRTWLIDQQL-LJQANCHMSA-N 467.643 2.351 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCOC3)n2C[C@H]2OCCC2(C)C)n1 1740689598 YLEAMINFIITAKY-PZJWPPBQSA-N 456.591 2.470 30 10 JEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)c2ccc(C)s2)CC1 1740715502 BGAZBIQYZUJUDV-KRWDZBQOSA-N 472.640 2.364 30 10 JEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CC(=O)N(c3ccccc3)C2)CC1 1740833533 RYNKLXITPDAOIX-MJGOQNOKSA-N 472.615 2.344 30 10 JEEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C)C1CC1 1740906421 OCDYHDHZCYBWRC-WBVHZDCISA-N 468.624 2.443 30 10 JEEE C=CCN(c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1n[nH]c(C)n1)C1CC1 1740911265 YQXHCKSZDIHMLR-KRWDZBQOSA-N 458.567 2.411 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c(-c2noc3c2COCC3)nnc1N1CCO[C@H](C#N)C1)C(C)C 1740927344 TZLLFZNKSYODGC-QUCCMNQESA-N 467.574 2.433 30 10 JEEE C=CCOc1ccc(Cn2c(Cc3ccccn3)nnc2N2CCO[C@@H](CNC(C)=O)C2)cc1 1740967492 IAWUDLVSIWJMGQ-QHCPKHFHSA-N 462.554 2.218 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1740990077 HXBWMSXTRVINQM-IEBWSBKVSA-N 487.582 2.441 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCOc1ccccc1Cl 1741924859 DXMAPAGSKWMEFK-FZKQIMNGSA-N 456.931 2.063 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@H](C)N(CC)CC)c1 1748692376 GHMABXOWHDQVCZ-FXAWDEMLSA-N 451.575 2.016 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CCOc1ccccc1C)[C@@H]1CCS(=O)(=O)C1 1748819599 PLCGXRNMWQBMOF-OAQYLSRUSA-N 465.579 2.278 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@H]1CCN(S(C)(=O)=O)C1 1748868164 SLGQWAFVHAFOGK-MOPGFXCFSA-N 473.574 2.302 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(C(N)=O)CC1 1749121044 KCGIAPPZOYFXMU-ICSRJNTNSA-N 473.599 2.032 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1749123197 BYQWTYVPOUUOIP-QUCCMNQESA-N 461.588 2.017 30 10 JEEE C=C(C)COCCn1c(-c2ccc[nH]2)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1749223465 UOCLVXHYUYKXAM-UHFFFAOYSA-N 451.531 2.408 30 10 JEEE C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1749250106 YOXKRPPKOLBTPK-CVEARBPZSA-N 461.954 2.045 30 10 JEEE 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 1749574481 WIGGHKGMOYYPLQ-CADBVGFASA-N 472.590 2.432 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(C(=O)OCc2ccccc2)CC1 1749729445 JUCYNFAWFJBGLP-UHFFFAOYSA-N 496.593 2.400 30 10 JEEE CC1CCN([C@@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(OCC(N)=O)CC2)CC1 1752200045 AEJVRKQRSZDEHB-IBGZPJMESA-N 465.602 2.408 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1760104973 KGTFXWNUXRXAFC-APWZRJJASA-N 489.506 2.032 30 10 JEEE C#CCN(c1nnc(C)n1Cc1cccc(OCC)c1OC(F)F)[C@@H]1CCS(=O)(=O)C1 1760180629 IJELHCMOXWUGHO-MRXNPFEDSA-N 454.499 2.262 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCc1cccc(C(=O)N(C)C)c1)[C@H]1CCS(=O)(=O)C1 1760184306 VJCYOMHCJKSEGE-NRFANRHFSA-N 495.605 2.418 30 10 JEEE C#CCN(c1nnc(CCCOc2ccc(Cl)cc2C)n1CC1(O)CC1)[C@H]1CCS(=O)(=O)C1 1760191072 AEUKDRFHJFAGNZ-IBGZPJMESA-N 493.029 2.403 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1CC(=O)NC1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1760191121 AZHGEBAAAFHFBI-OAQYLSRUSA-N 499.637 2.241 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCc1ccccc1OCC)[C@H]1CCS(=O)(=O)C1 1760192179 RRIOZJPYQQABDG-QFIPXVFZSA-N 496.637 2.408 30 10 JEEE C#CCN(CC#CC)c1nnc(COc2cc(C)ccc2C)n1CCN1CCN(C(C)=O)CC1 1760223989 TZPZKQGSYTUJOR-UHFFFAOYSA-N 462.598 2.101 30 10 JEEE C#CCN(CCOC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cccc(Br)n1 1760244518 XSHBCLARALVWEC-HXUWFJFHSA-N 464.364 2.222 30 10 JEEE C#CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(S(=O)(=O)CC)CC1 1760277310 GTFWQFIGQJGPEA-UHFFFAOYSA-N 462.597 2.444 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@H]2OCCC[C@H]2C1 1760517365 KTBNRFQJLIODSV-FUHWJXTLSA-N 471.558 2.278 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCC(CC#N)CC2)n1CCNC(=O)Cc1cccc(F)c1 1761215290 FWOLDNUIXVUSFU-UHFFFAOYSA-N 455.538 2.044 30 10 JEEE CN(C)C(=O)C1(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@H](S(C)(=O)=O)C2)CCCC1 1768424756 FCBKXFAEDWMRJI-IBGZPJMESA-N 470.599 2.089 30 10 JEEE C[S@@](=O)C1(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCO[C@H](C#N)C2)CCC1 1771368166 BNPPHPFEQLLOSO-PFUSGODGSA-N 453.366 2.066 30 10 JEEE COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCN(C)C)cc(OC)c1O 1862612979 UVUNJBWFXUPEBY-OAQYLSRUSA-N 484.505 2.321 30 10 JEEE CCC[C@@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1869930251 VSCMUOFJIFHYAH-LJQANCHMSA-N 471.539 2.151 30 10 JEEE C=CCn1cc(OCc2cc([N+](=O)[O-])cc3c2OCOC3)c(=O)cc1CN1CCC(O)CC1 1870590451 XKXAMJIGJUIBQZ-UHFFFAOYSA-N 457.483 2.345 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCCc2ccc(OC)cc2)cn1CCOC 1870643540 ZTGHWUGNFGGTKV-UHFFFAOYSA-N 469.582 2.415 30 10 JEEE C=CCNC(=O)C1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(I)cc3)C2)CC1 1872942704 DLZPMNHEWKHVEB-OAHLLOKOSA-N 481.334 2.185 30 10 JEEE C=CCn1c(C(=O)NCCN(C)C)cc2c(N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)ncnc21 1873594884 FTXHSLCVOPBKRA-UHFFFAOYSA-N 478.557 2.144 30 10 JEEE CCOc1ccc(OCc2nnc(SCC(N)=O)n2/N=C/c2ccccc2C(=O)O)cc1 1874235698 WBGQZKQCBYOFMW-FOKLQQMPSA-N 455.496 2.414 30 10 JEEE COc1ccccc1OCc1nnc(SCC(N)=O)n1/N=C/c1cccc(OC)c1OC 1874289707 SCGPUOZTCJJLIP-FOKLQQMPSA-N 457.512 2.343 30 10 JEEE CC(=O)NCc1nnc(SCC(=O)N[C@H](C)c2ccccc2)n1/N=C/c1cccc(O)c1 1874436345 WZRKFMWNIPGPHF-ZIFAQYRBSA-N 452.540 2.472 30 10 JEEE COCCn1c(C(=O)N2CCC(COc3cc(C#N)ccn3)CC2)cc2c(=O)n3ccccc3nc21 1891678638 XITOJRNBUHDXRH-UHFFFAOYSA-N 486.532 2.493 30 10 JEEE N#Cc1nc(-c2cccs2)oc1N1CCC(C(=O)N2CCN(S(=O)(=O)C3CC3)CC2)CC1 1892400751 JZZFKFCOEAZITP-UHFFFAOYSA-N 475.596 2.128 30 10 JEEE COC[C@](C)(CC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2124538865 OJZWMFFPXHSDBF-NRFANRHFSA-N 450.345 2.034 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H]1C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2124539714 YQHXLECASIREJO-WMLDXEAASA-N 450.316 2.434 30 10 JEEE CC(C)(C)OC(=O)N[C@@]1(C(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)C[C@@H](O)C1(C)C 2206615395 YHKUQFRQRFPRSY-IQMFZBJNSA-N 461.368 2.374 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]1CNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2247881331 WEDASDXXQRCJPT-OCCSQVGLSA-N 458.411 2.239 30 10 JEEE CC(C)(C)OC(=O)NC/C=C/CNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2247986110 QUOPXFRXSPRHSQ-CMDGGOBGSA-N 458.411 2.407 30 10 JEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2255623068 IVLATRFYXPCZTJ-HUUCEWRRSA-N 452.382 2.411 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1[C@@H]2CN(S(=O)(=O)c3sccc3B3OC(C)(C)C(C)(C)O3)C[C@@H]21 2255748427 CCDBYZDJFXIRST-NHAGDIPZSA-N 470.422 2.191 30 10 JEEE CN(C(=O)OC(C)(C)C)[C@@H]1COC[C@@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2256624969 ZKAGURRONBAAQV-QWHCGFSZSA-N 453.370 2.263 30 10 JEEE CN(CCNC(=O)OC(C)(C)C)CC(=O)NCc1sccc1B1OC(C)(C)C(C)(C)O1 2256676462 XKKPQCKJEKSULF-UHFFFAOYSA-N 453.414 2.120 30 10 JEEE CN(Cc1csc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)[C@H](CCO)NC(=O)OC(C)(C)C 2256677400 DABZGHPGTXCBIZ-HNNXBMFYSA-N 454.398 2.281 30 10 JEEE Cc1cc(S(=O)(=O)NOC2CN(C(=O)OC(C)(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2267356861 PEMLTWMUZZTAAL-UHFFFAOYSA-N 468.381 2.123 30 10 JEEE CC1(C)OB(c2cccnc2C(=O)N[C@H]2CCOC[C@H]2NC(=O)OCc2ccccc2)OC1(C)C 2267586406 JQVJJCKADPIIMB-VQTJNVASSA-N 481.358 2.195 30 10 JEEE Cn1cc(C(=O)N[C@@H]2CN(Cc3ccccc3)CC(F)(F)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2281973389 RUICBKOAVGROLF-KRWDZBQOSA-N 460.334 2.359 30 10 JEEE Cc1nc(C(=O)N2CC[C@H](CO)[C@@H](NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2282017640 MSGAUZZVRLRYEA-CABCVRRESA-N 481.424 2.098 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](OCCNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2282171138 GLHHQEWMTZKSQE-QGZVFWFLSA-N 461.368 2.137 30 10 JEEE C[C@@H]1CCN(Cc2ccccc2)CCN1S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282509227 IHQKWQURVJACCW-GOSISDBHSA-N 474.436 2.004 30 10 JEEE CC(C)(C)OC(=O)N1CCC2(CC1)CN(C(=O)c1ncc(B3OC(C)(C)C(C)(C)O3)cn1)C2 2282629591 XUIGNTYANIHQPR-UHFFFAOYSA-N 458.368 2.249 30 10 JEEE CC1(C)OB(c2scnc2CS(=O)(=O)N2C[C@@H]3CN(Cc4ccccc4)C[C@H]3C2)OC1(C)C 2282831382 JOQBVKJTGSQSIB-OALUTQOASA-N 489.472 2.336 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H]2CN(C(=O)c3nccnc3B3OC(C)(C)C(C)(C)O3)C[C@H]2C1 2283069741 SRHBIGRYAXJXGB-HZPDHXFCSA-N 458.368 2.105 30 10 JEEE CCN(CC)C(=O)CSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1N=Cc1ccc(O)c(O)c1 2328988702 FBUTYNLMQIBNFG-INIZCTEOSA-N 474.587 2.256 30 10 JEEE CNC(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)[C@@H]1C[C@H]1B1OC(C)(C)C(C)(C)O1 2343355809 OGBUUCMLOMMQKG-ARFHVFGLSA-N 451.373 2.053 30 10 JEEE Cc1scc(C(=O)N2C[C@@H](O)C[C@@H](NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2343504465 LUFDYNGULRNQHZ-CABCVRRESA-N 466.409 2.456 30 10 JEEE CC(C)(C)OC(=O)NC[C@]1(O)CCCN(c2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)C1 2345741952 WKFBRDIDWWKVAC-JOCHJYFZSA-N 451.348 2.376 30 10 JEEE Cn1cc(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 2359268337 INCAWYLWIROBOP-INMHGKMJSA-N 460.384 2.237 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NS(=O)(=O)c1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2359283835 LGKZNGJBRGGMBZ-DOPJRALCSA-N 482.383 2.411 30 10 JEEE CC(C)[C@@](C)(C#N)NC(=O)COC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 11243416 DZMIMWZWFUXVFQ-HXUWFJFHSA-N 455.964 2.338 30 10 JEEE COc1ccc(OC)c(NC(=S)/N=C(/Nc2nc(C)cc(C)n2)N2CCC(C(N)=O)CC2)c1 14161055 KUCNNRVQDZFSCW-UHFFFAOYSA-N 471.587 2.473 30 10 JEEE COc1ccc(CNC(=O)CSc2n[nH]c(N/N=C/c3cc(OC)c(O)cc3[N+](=O)[O-])n2)cc1 59040005 ZYDAVXLUZATBRO-LSHDLFTRSA-N 487.498 2.290 30 10 JEEE CCOc1cc(C=NNc2nc(N3CCCC3)nc(N3CCCC3)n2)ccc1OCC(=O)O 254876225 MDEJRMBINMLEEV-UHFFFAOYSA-N 455.519 2.380 30 10 JEEE Cc1ccc(C)c(-n2c(=C(C#N)C(=O)N3CCCC3)sc(=Cc3cnn4ccccc34)c2=O)c1 729668539 MJTJXSKJGQPZPB-UHFFFAOYSA-N 469.570 2.289 30 10 JEEE C=C1C[C@@H]2[C@@]3(C)C(=C(O)C(=O)[C@]2(C)[C@@]2(C(=O)OC)C(=O)[C@H](C)OC(=O)[C@]12C)C(C)(C)C(=O)C[C@@H]3O 1076498665 YGLJLBFWQLNDEJ-HLURPSMLSA-N 488.533 2.010 30 10 JEEE C=CCn1cc(C=NNc2nc(SCC(=O)N(Cc3nnc(CC)o3)C(C)C)n[nH]2)cn1 1083926481 OMHILYAFUUCVOT-UHFFFAOYSA-N 458.552 2.108 30 10 JEEE O=C(CSc1n[nH]c(NN=Cc2ccncc2)n1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 1083931010 SEHZINSWOLMEJS-UHFFFAOYSA-N 486.583 2.161 30 10 JEEE C#CCNS(=O)(=O)c1cccc(C(=O)NC2CCN(CCOc3ccc(F)cc3)CC2)c1 1136920213 MAZMKHILHKTIQZ-UHFFFAOYSA-N 459.543 2.010 30 10 JEEE C=CCNS(=O)(=O)c1ccc(C(=O)N(C[C@H](O)CC(C)(C)C)C2CCN(C)CC2)cc1 1157619281 OODCONZKPIBDRZ-HXUWFJFHSA-N 451.633 2.484 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)c1ccccc1F 1286296252 NLWYAGGDDNGZAD-QFBILLFUSA-N 463.579 2.186 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@]1(C)CCCO1)[C@H]1CCS(=O)(=O)C1 1286392434 GZZPFZUCZCYMQJ-CVDCTZTESA-N 458.584 2.073 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1286395631 SIFJJVAKDNHPQH-GUDVDZBRSA-N 495.646 2.054 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@](C)(O)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1286396577 WEGNVKZOMGPXTR-ZRCGQRJVSA-N 464.632 2.478 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1CCc1nccnc1C)[C@H]1CCS(=O)(=O)C1 1286396697 XTKVYDPDJAJLSP-NRFANRHFSA-N 464.595 2.145 30 10 JEEE C#CCN(CC#CC)c1nnc(Cc2cccnc2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1286428102 IZVJFBNPDOKXIE-NRFANRHFSA-N 455.566 2.395 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2CCc2cc(C(F)(F)F)ccn2)CC1 1286471576 MBVFKYPAUSISFV-QGZVFWFLSA-N 466.508 2.414 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@H](C)N2CCOCC2)CC1 1286474871 SMNHSJWCBNCXJV-NRFANRHFSA-N 482.629 2.217 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2CCCNC(=O)C2CCC2)CC1 1286484112 IDZCENQPCRCZQM-UHFFFAOYSA-N 450.587 2.227 30 10 JEEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1286605944 BJVYKJRWJCSFOX-QGZVFWFLSA-N 458.563 2.340 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCOC2)n1CCN1CCN(C(C)=O)CC1 1286740764 WHESWWSRPHIYAF-QFIPXVFZSA-N 468.602 2.147 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCc2nccn2C1 1286742218 HLVGABZPQIZXLC-RXVVDRJESA-N 494.625 2.412 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(C(=O)NC)CC1 1286783000 KCUULDKXLQMRDT-UHFFFAOYSA-N 452.346 2.016 30 10 JEEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 1286790079 NLIBHYZZQZEQKP-UHFFFAOYSA-N 460.941 2.288 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CC[C@@](C)(C(N)=O)C1 1286814701 DWBBQUHITDAPJU-OYHNWAKOSA-N 477.656 2.434 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@H](NC(C)=O)C1 1286817611 WMIIAODVMUPWDV-KRWDZBQOSA-N 482.006 2.313 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC(=C)CC1 1286819687 SGWMXCXOCAJTGK-UHFFFAOYSA-N 468.583 2.432 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N(C)Cc1c(C)nn(C)c1C 1286822983 QEAGWJHCLVGGJM-UHFFFAOYSA-N 482.614 2.104 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2CC)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1286823960 RTEPPHOSMWKRQW-OALUTQOASA-N 476.555 2.134 30 10 JEEE CC1CCN(CCn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CCO[C@H](C#N)C2)CC1 1291183682 BASRXFKPCPXKCM-HXUWFJFHSA-N 471.993 2.322 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1Cc1cc(C)on1 1292116837 FNNFYDWLCZGXIY-UHFFFAOYSA-N 463.546 2.135 30 10 JEEE CC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)NC)CC1)N1CCCC1 1292250400 AOSFDKLBEVVBSS-FQEVSTJZSA-N 466.590 2.065 30 10 JEEE CN(C)C(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1298000298 FKUYDCKQBPERLS-UHFFFAOYSA-N 468.924 2.419 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCNC(=O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1300481895 CFSWJZKDOORKHF-PZJWPPBQSA-N 499.637 2.188 30 10 JEEE C#CCN(c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1300483452 LRVZLZVJVFLICV-MAUKXSAKSA-N 479.400 2.371 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H](OC)c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1300486973 CNJRMIIWEGLNQH-TZIWHRDSSA-N 471.558 2.437 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1CCCc1cnn(C)n1)[C@@H]1CCS(=O)(=O)C1 1300489945 WIYXGRMNGSAOJD-QGZVFWFLSA-N 491.980 2.126 30 10 JEEE C#CCN(c1nnc(COCC)n1Cc1ccc(OC2CCCC2)nc1)[C@@H]1CCS(=O)(=O)C1 1300503847 GIKSDEQQICJSQE-LJQANCHMSA-N 473.599 2.206 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCc2cccc(OCC)c2)CC1 1300686139 XGUMCVOJWMMPMX-RUZDIDTESA-N 453.587 2.327 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2Cc2conc2COC)CC1 1300716817 RREJSAILSLIZAU-UHFFFAOYSA-N 464.526 2.102 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@H]2CCOC2)CC1 1300731771 UMYWWIBUCPSVSI-FQEVSTJZSA-N 451.571 2.476 30 10 JEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 1300733617 YJWICBCLJPEKMH-MRXNPFEDSA-N 450.609 2.228 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1300895330 PRMFEONPRNRCSZ-XUFBONQXSA-N 470.636 2.241 30 10 JEEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1301436276 YOYOBCKJBSOFIC-QGZVFWFLSA-N 462.576 2.096 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCC2 1301478440 KTAJGIYRSFNCCU-DLBZAZTESA-N 453.547 2.012 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1301493473 ZYRZYPWNMCOOPR-UHFFFAOYSA-N 470.530 2.033 30 10 JEEE CCc1nnc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2ccc(C#N)cc2)s1 1306057804 DOFPBALRUJVOLL-INIZCTEOSA-N 457.585 2.150 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCOC[C@H]1CCOC1 1358889600 DNBGMCGSOGYHTE-VQTJNVASSA-N 453.591 2.353 30 10 JEEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@H](C)CN1CCN(CC)CC1 1358947260 XHHVKGAGOQXXPS-OAQYLSRUSA-N 490.656 2.408 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)c1ccc2c(c1)OCCO2 1358978294 INIQXPJRCNPKMY-SFHVURJKSA-N 468.579 2.002 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1c[nH]c2cccc(C)c12 1358985486 ZRHZVLHSJMWDCA-GOSISDBHSA-N 452.584 2.384 30 10 JEEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2CCS(=O)(=O)C(C)(C)C)CC1 1359039214 ZWFZNYUDHQPATR-UHFFFAOYSA-N 473.643 2.442 30 10 JEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1359227751 KXZPNLZMIVZMJG-FQEVSTJZSA-N 479.647 2.002 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@H](NC(C)=O)C1 1359292229 KUUWUYRIGVUICE-ICSRJNTNSA-N 454.575 2.442 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1359295105 QEOVCRKCWUBDSB-MRXNPFEDSA-N 488.346 2.279 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@@H]1CC[C@@H](C)C1 1493436947 HQJMAWQXRCGIAI-KZNAEPCWSA-N 451.579 2.229 30 10 JEEE CN(c1nnc(-c2cccc(C#N)c2)n1CC[S@](=O)C(C)(C)C)C1CCN(S(C)(=O)=O)CC1 1503414051 CYKBMJODGWYEJH-YTTGMZPUSA-N 492.671 2.224 30 10 JEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@H](NC(=O)CCC)C1 1507577536 QWEXRTYGVBQOKV-FQEVSTJZSA-N 486.642 2.494 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCCc1nc(C)cs1)[C@@H]1CCS(=O)(=O)C1 1507633458 SOMHWHBBVWISPY-QZTJIDSGSA-N 463.629 2.197 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CC=CCO1 1507711344 UIVTXFYPMFHNGO-OALUTQOASA-N 461.563 2.018 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCSC2(C)C)CC1 1507734166 SMDVSVYQKCNJTO-SFHVURJKSA-N 458.632 2.012 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1507801931 ZEBYTTXIXTZXRT-QUCCMNQESA-N 454.579 2.300 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC(Oc2cncc(Cl)n2)CC1 1508137619 OJMFLPNNDYPBNY-UHFFFAOYSA-N 489.989 2.432 30 10 JEEE CC(C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1508998345 AARIIVYHBOOSLU-GOSISDBHSA-N 478.523 2.258 30 10 JEEE COC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2CCS(=O)(=O)CC2)C1 1517641598 GAJPVQVSBNPOMV-IBGZPJMESA-N 457.556 2.031 30 10 JEEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1539051746 GYBJKLVJNZOTGI-NTKDMRAZSA-N 487.626 2.383 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccc(Cl)cc1OC)[C@H]1CCS(=O)(=O)C1 1539222167 UDTNJBAOAWBMGI-AEFFLSMTSA-N 464.975 2.119 30 10 JEEE C#CCN(c1nnc(Cc2c[nH]c3ccccc23)n1CCCCCO)[C@@H]1CCS(=O)(=O)C1 1539224497 HMHGRHHAMILUTB-LJQANCHMSA-N 455.584 2.140 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CCNC(=O)[C@@H](C)CCC)CC1 1539470795 ZVHTUTDOJGZIPG-KRWDZBQOSA-N 454.575 2.365 30 10 JEEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCc2nc(O)c(C#N)cc2C1 1539758905 CBSITEIRMPDDGW-JXFKEZNVSA-N 454.531 2.130 30 10 JEEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cnn(CCOC)c1 1540076974 DEQCOVOGNSSHAY-GOSISDBHSA-N 461.567 2.100 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2Cl)nnc1N(C)CCC(=O)NC 1540865722 PVPFUJPDSXYPDA-UHFFFAOYSA-N 469.771 2.236 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccc(CN(C)CC)c2)C1 1540892484 MCGVLFITTTYZNZ-VXKWHMMOSA-N 473.643 2.462 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2cccc(Br)n2)C1 1540895091 LGFXCIJYIUKOEJ-MRXNPFEDSA-N 461.364 2.388 30 10 JEEE CC(C)(C)OC(=O)N1CC(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)C1 1541199757 HWFMPIVOQVCLMH-LJQANCHMSA-N 486.598 2.307 30 10 JEEE CC(C)NS(=O)(=O)CCn1c(-c2cccc(Br)c2)nnc1N1CC[C@](F)(C#N)C1 1541710162 DVUQSHXWKRIDRY-SFHVURJKSA-N 485.383 2.477 30 10 JEEE Cc1ccsc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(C#N)C1 1542110108 BQAWBXKPNWGMRD-JXFKEZNVSA-N 464.617 2.159 30 10 JEEE COc1cccc(-c2nnc(N3CCN(c4c(C#N)c(C)nn4C)CC3)n2CCCC(=O)N(C)C)c1 1555009693 GKJMUTVKZJCBIG-UHFFFAOYSA-N 491.600 2.062 30 10 JEEE C#CCN1CCN(C(=O)CSc2nnc([C@H](CC)N(C)C)n2-c2ccc(OC)cc2)CC1 1559313661 ZGIGXLUVXXRCHD-FQEVSTJZSA-N 456.616 2.158 30 10 JEEE COc1ccc(S(=O)(=O)C[C@H](C)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 1584787233 HMLZPEGZCTYKCY-HRAATJIYSA-N 455.536 2.288 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1Cc1cnn(CC)c1)[C@@H]1CCS(=O)(=O)C1 1588058683 AIDBQRZWYRYXNO-QGZVFWFLSA-N 474.537 2.039 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CC=CCO1)[C@H]1CCS(=O)(=O)C1 1588073964 GNQYIFSPXPQBEY-MTQWCTHYSA-N 462.616 2.169 30 10 JEEE Cc1nn(-c2cccc(F)c2)cc1C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1588157797 HNYSXGXZISZBGV-UHFFFAOYSA-N 453.499 2.338 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CC(=O)N(c2ccccc2)C1 1588174268 VUZRAOJMKJVONC-FQEVSTJZSA-N 467.533 2.441 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](c1cccc(OC)c1)N(C)C 1589150644 IDPMTYJEODPAER-XTQVGHSUSA-N 474.631 2.192 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccn2C)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1589513925 CPXPVDLTFNCFIE-YLJYHZDGSA-N 462.620 2.125 30 10 JEEE C=C(C)CN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCNS(C)(=O)=O 1589657958 OOCPUBFVVRGSSA-UHFFFAOYSA-N 470.640 2.344 30 10 JEEE C=C(C)COCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1593752833 QYAASTRBZGFLDX-UHFFFAOYSA-N 461.010 2.325 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1Cc2ccccc2O[C@@H](C)C1 1593884542 IAIFLSQNJOXPMU-YJBOKZPZSA-N 467.979 2.151 30 10 JEEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(OC)CC1 1594625965 JKYFYQZVQFQTRB-WIYYLYMNSA-N 455.625 2.363 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(CC3CCCC3)n2CCS(=O)(=O)N2CCSCC2)C1 1595744975 PSLWRYQEWMUOKS-IBGZPJMESA-N 469.677 2.171 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCO[C@@H](Cc2ccccc2)C1 1595812484 VTOLLVUYEOFRIR-QFIPXVFZSA-N 467.595 2.313 30 10 JEEE C=CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](C(=O)NC)C1 1595850336 KXLDYFDBQPWXHA-KRWDZBQOSA-N 463.629 2.230 30 10 JEEE C=CCSCCn1c(C2CCC2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1595879325 VWQPCLCCPJJHLZ-GOSISDBHSA-N 455.650 2.096 30 10 JEEE C[C@@H]1C[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(OCC(N)=O)CC2)CCO1 1612694229 HTLXIGSNMIMCTO-IEBWSBKVSA-N 468.558 2.015 30 10 JEEE CCN(CC)C(=O)CCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@@](F)(C#N)C1 1615316438 BFPGFLFKZJOTIU-JOCHJYFZSA-N 466.525 2.011 30 10 JEEE COCCN1C[C@@H](Cn2c(Cc3cccnc3)nnc2N(C)Cc2ccc(C#N)cc2)CC1=O 1619930077 BOLRXYGBRRETBG-QFIPXVFZSA-N 459.554 2.267 30 10 JEEE C=CCNS(=O)(=O)c1ccc(C(=O)NC2(CN3CCN(c4ccccc4)CC3)CC2)cc1 1629399991 COBHOHRJRQQXFG-UHFFFAOYSA-N 454.596 2.236 30 10 JEEE C=C(C)C[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCCO2)c1)C(=O)OCC 1633297386 PMVILWULBKVPFY-WBVHZDCISA-N 458.964 2.425 30 10 JEEE COc1cc(CC(=O)Nn2c(C)c(Br)c(C)c(C#N)c2=O)cc(OC)c1OC 1650978711 HUIVTVCCHFWWML-UHFFFAOYSA-N 450.289 2.438 30 10 JEEE C#CCN(C(=O)Nc1cc(F)c(F)cc1I)[C@H]1CCS(=O)(=O)C1 1667500965 ZYYLIRBOSSJKLF-VIFPVBQESA-N 454.236 2.224 30 10 JEEE C#CC[C@H](CCOC)NC(=O)NC1CCN(C(=O)CCCN(C)C(=O)OC(C)(C)C)CC1 1684162932 UEGQMGRRMREHQW-GOSISDBHSA-N 452.596 2.352 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccccc2)CC1 1690152752 WSXNRPGIZFNVOL-UHFFFAOYSA-N 462.579 2.284 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2Cc2ccn(C)n2)CC1 1690154679 WJNUDZHSSRWDIR-FQEVSTJZSA-N 496.616 2.098 30 10 JEEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)C[C@@H]1CCCOC1 1690159642 HWXRDOHGEHYNRJ-SFHVURJKSA-N 477.656 2.425 30 10 JEEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1690179304 UTKQINGOMUKRGU-UHFFFAOYSA-N 496.662 2.450 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1690200131 MFHSBLBAZSXYGH-UZUQRXQVSA-N 473.599 2.236 30 10 JEEE C=CCCOCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1690500512 XSVRKBZAMNBYKR-UHFFFAOYSA-N 485.545 2.020 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC2(O)CCOCC2)C1 1690684870 QCSHPLPFHUEHPI-IBGZPJMESA-N 475.977 2.184 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@@H](OCC)C1 1690723580 WFGOERNPOUAXHO-MRXNPFEDSA-N 472.571 2.200 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N(C)C1CCC(NC(C)=O)CC1 1690726905 QCQWFGMNDLRHPA-UHFFFAOYSA-N 480.660 2.118 30 10 JEEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCN1CCCC[C@@H]1CC 1696336203 DZRBGNQRCXYRGG-UXHICEINSA-N 467.622 2.456 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@](C)(O)CCOC 1705490061 BLQCNKHNVCBANB-MZNJEOGPSA-N 452.559 2.310 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1Cc1ccc(NC(C)=O)nc1)[C@@H]1CCS(=O)(=O)C1 1705569653 FMVFWMHWOOBUOJ-HXUWFJFHSA-N 496.568 2.036 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H]1CC[C@H](CO)O1 1705619249 LIIJZGAKCGPGCX-YZUZCNPQSA-N 458.534 2.249 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2CC2CN(C(=O)OC(C)(C)C)C2)CC1 1705638343 HMBOWTGTWXGVDC-UHFFFAOYSA-N 451.575 2.271 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCC[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 1705638530 NKTGTODYNCPTCL-WOJBJXKFSA-N 485.633 2.164 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCCC(=O)N(C)C)CC1 1705650865 AUJVAFKOGCDMGX-UHFFFAOYSA-N 487.004 2.345 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OC)n2C[C@H]2CCCCO2)CC1 1705651279 QJJDZRZTWVBMGD-HXUWFJFHSA-N 467.570 2.401 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccccc2F)nnc1N(C)CCS(C)(=O)=O 1705708352 BHMOCQLPACZLLH-JXFKEZNVSA-N 452.552 2.458 30 10 JEEE C=CCCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1705821997 PHXNWJMGTFOGEU-AUSIDOKSSA-N 468.650 2.485 30 10 JEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(Cn2ccnn2)CC1 1705890881 OFTHIOZGLSKQCZ-SFHVURJKSA-N 458.567 2.281 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 1705905514 XYZNDJNAIOMDDY-QGZVFWFLSA-N 455.563 2.012 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(=O)OCC)CC1 1705938575 CPVYUXWOLZFYBK-QZTJIDSGSA-N 483.635 2.076 30 10 JEEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](O)(c2ccc(C)cc2)C1 1705940195 YECMZTPUZJRWPL-UWJYYQICSA-N 465.645 2.214 30 10 JEEE CNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(N(C)C)CCCC2)CC1 1711414625 DGGAWLSJHDLHOI-UHFFFAOYSA-N 466.590 2.065 30 10 JEEE COCC1(Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3nccnc3C#N)C[C@@H]2C)CCCCC1 1712196061 APEPVPOVEYBJFK-IBGZPJMESA-N 495.632 2.390 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(Br)ccc1OC 1722281498 YZAWGTNIPZMDCQ-OLZOCXBDSA-N 470.393 2.166 30 10 JEEE C#CCN(CC#C)c1nnc(CCOc2ccccc2)n1CC1(NC(=O)OC(C)(C)C)COC1 1722385634 MUCWQSPLXLHPKI-UHFFFAOYSA-N 465.554 2.266 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@H]2NC(=O)CC2(C)C)CC1 1722434611 WPSZPSFJLHEVBS-OAHLLOKOSA-N 477.432 2.439 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CC(=O)NCCC)CC1 1722435803 PYNHJBQTPDQCOR-UHFFFAOYSA-N 454.575 2.022 30 10 JEEE C#CCSCCn1c([C@H](C)CC)nnc1N1C[C@@H]2[C@H](C1)[C@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1722451493 KAORGUUINWKSHQ-BRSBDYLESA-N 497.687 2.285 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1722726029 XEIIZPWYTWVEKT-UHFFFAOYSA-N 460.604 2.024 30 10 JEEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1722743003 MYTFCSJSUXGLDX-UHFFFAOYSA-N 480.642 2.484 30 10 JEEE CC(C)COc1cccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@@H](C)C#N)c1 1723487357 DABFIYVFYHKEGZ-RXVVDRJESA-N 490.630 2.290 30 10 JEEE CNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2(S(C)(=O)=O)CCCC2)C1 1729657684 AKYHCOQTNOADJV-LJQANCHMSA-N 470.599 2.137 30 10 JEEE COC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCN(C(C)=O)C2)C1 1729749459 CWOOYOOZYOIVFO-CTNGQTDRSA-N 450.543 2.465 30 10 JEEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1CCNC(=O)c1cc[nH]n1 1740557921 RTCHNTOKVPYJOT-AWEZNQCLSA-N 472.347 2.231 30 10 JEEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1740579304 MMTSOEHLFSMPFM-GPXNEJASSA-N 486.661 2.329 30 10 JEEE C#CCN(c1nnc(CN2CCCC2=O)n1CC(C)(C)c1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 1740624586 KCFAYTSQGRLSGU-FQEVSTJZSA-N 499.637 2.014 30 10 JEEE C#CCN1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2C[C@H](C)SC)CC1 1740695029 ARMLIQUTEVMMCA-KRWDZBQOSA-N 451.600 2.182 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2CCCc2nnc(C)s2)CC1 1740696919 LACKZUPZBZEXQU-UHFFFAOYSA-N 451.600 2.425 30 10 JEEE C=C(Br)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1740739227 WQPFRXYNNPWEJS-UKRRQHHQSA-N 466.292 2.122 30 10 JEEE C=C(Br)Cn1c(-c2ccccn2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1740741598 OAHAYKYZLFAMPJ-DNVCBOLYSA-N 474.407 2.238 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](OCC(C)C)C1 1740850426 GCEVBFBMMOPPPA-RTBURBONSA-N 469.652 2.465 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC2(S(C)(=O)=O)CCC2)C1 1740971957 ASGKATYRAFAJCN-PGRDOPGGSA-N 468.620 2.067 30 10 JEEE C=CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1741005704 ORULACKLUPEEHD-NRFANRHFSA-N 482.610 2.476 30 10 JEEE CCN1CCN(CCCn2c(-c3cccc(C#N)c3)nnc2N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)CC1 1746467196 BIJKJILSPGQEQY-WOJBJXKFSA-N 487.674 2.102 30 10 JEEE CCNC(=O)C(C)(C)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCO[C@H](C#N)C1 1746480215 HUQXYFBXMYZAMT-QGZVFWFLSA-N 456.547 2.243 30 10 JEEE C#C[C@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CC1(OCCOC)CCOCC1 1748682230 TUHILXOFAPYQRK-IBGZPJMESA-N 452.559 2.187 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1CCCn1cc(Br)cn1)[C@H]1CCS(=O)(=O)C1 1748806010 YYCITSLHIKPXHN-WBVHZDCISA-N 483.436 2.468 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1748808479 CSNOPDYCAUQBGL-GOSISDBHSA-N 473.990 2.215 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1748856235 VSXJTOSBZIAHCK-NRFANRHFSA-N 481.560 2.470 30 10 JEEE C=C(Br)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(C(=O)NCCOC)CC1 1749109343 IYBRQWGUGZQHMM-UHFFFAOYSA-N 480.411 2.027 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1749132988 GKXOHNCIFJFJHE-WIOPSUGQSA-N 481.645 2.236 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOCC2(CCC2)C1 1749368884 SKOXHUBHCHUZPI-SFHVURJKSA-N 467.636 2.220 30 10 JEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)c1sc(CC)nc1C 1749629906 KLGMFOZMCLDPJS-CABCVRRESA-N 454.622 2.322 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCN(C(=O)C(C)C)CC1 1749680519 MAKBFNUFUDKSBT-UHFFFAOYSA-N 460.966 2.117 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)C[C@@H](C)C1 1749724084 GZDPFIMEHYYZEE-IAGOWNOFSA-N 466.629 2.432 30 10 JEEE CC(C)C(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCO[C@@H]2C)C1 1750557289 CJENPQGKWOVPAE-AOUJKTHWSA-N 466.586 2.345 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H](Cc1ccccc1)OC)[C@H]1CCS(=O)(=O)C1 1760187700 DTTGZCUITYHTKZ-FCHUYYIVSA-N 465.579 2.225 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC1CCN(CCC)CC1)[C@H]1CCS(=O)(=O)C1 1760187993 MPRPWNNFZYZFIL-SFTDATJTSA-N 463.648 2.268 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H](C)COc1ccccc1OC)[C@@H]1CCS(=O)(=O)C1 1760190849 ZUVRJEDOCZEWRI-UYAOXDASSA-N 498.609 2.029 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCn1ccnn1 1760248751 DIBIEKFXKQMNBY-IBGZPJMESA-N 472.594 2.160 30 10 JEEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(C1)OCc1ccccc12 1760352872 ZOEYSBHSWNMQTN-VGSWGCGISA-N 461.588 2.117 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1760518651 YJZQFZHHKSKWKS-INIZCTEOSA-N 488.365 2.325 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(c2ccnc(C)n2)CC1 1760525136 VRUHNHDVBXJOSA-UHFFFAOYSA-N 466.977 2.250 30 10 JEEE CC(=O)N1CC[C@H](CN(C)c2nnc(COc3ccc(C#N)cc3)n2Cc2ncnn2C(C)(C)C)C1 1760586009 HDEOELWMBFZEIG-HXUWFJFHSA-N 491.600 2.428 30 10 JEEE CC(=O)N1CCN(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCC(C)=C(C)C2)CC1 1760624591 SWPWBLQJKSXLPQ-UHFFFAOYSA-N 463.586 2.439 30 10 JEEE C[C@H](C#N)CN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1760692354 DYILSTORSLDCLN-UYAOXDASSA-N 481.601 2.255 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccnc(N2CCCCC2)c1 1764187036 BKOQOVXLLUSVFU-HXUWFJFHSA-N 466.590 2.359 30 10 JEEE CN(C)CC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1766936124 CWIIOXAIXQIIGU-SFTDATJTSA-N 486.642 2.218 30 10 JEEE C=CCNC(=O)[C@H]1C[C@@H](O)CN1C(=O)c1cccn(Cc2ccc(Cl)c(Cl)c2)c1=O 1861313952 IUUWASUOYKKRSJ-RDTXWAMCSA-N 450.322 2.081 30 10 JEEE O=C(C1=C(O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccc(O)c([N+](=O)[O-])c1)c1ccc(F)cc1F 1862417343 YMNRPSZWSUJVGF-HXUWFJFHSA-N 489.431 2.489 30 10 JEEE N#Cc1cccc(C(=O)Nc2nc(N3CCN(c4ccccc4)CC3)nn2[C@H]2CCS(=O)(=O)C2)c1 1869966169 WLMPOAWQXBLFOM-NRFANRHFSA-N 491.577 2.088 30 10 JEEE C=CCN(CC=C)c1nc(NC(=O)COc2ccc(Cl)cc2)n([C@@H]2CCS(=O)(=O)C2)n1 1870004884 OVDFGDUCZVLPBE-MRXNPFEDSA-N 465.963 2.487 30 10 JEEE C=CCN(CC=C)c1nc(NC(=O)CCc2cccc(NC(C)=O)c2)n([C@H]2CCS(=O)(=O)C2)n1 1870005115 XNLYHCQJXMHYEC-FQEVSTJZSA-N 486.598 2.346 30 10 JEEE C=CCn1cc(OCC(=O)Nc2ccc(C)cc2C)c(=O)cc1CN1CCN(C(C)=O)CC1 1870335371 STACTXIPLGVSGJ-UHFFFAOYSA-N 452.555 2.333 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)OCCOCC)cn1CCCn1ccnc1 1870672868 JKVDTBISXCWZKF-UHFFFAOYSA-N 458.559 2.268 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)Nc2cc(OC)ccc2OC)cn1CCNC(C)=O 1870738196 ZFAVOEMFCCTEOQ-UHFFFAOYSA-N 498.580 2.193 30 10 JEEE COc1cc(Br)cc(/C=N/n2c(SCC(N)=O)nnc2-c2ccco2)c1O 1874465778 ATNYRVZVTUBFRI-FBCYGCLPSA-N 452.290 2.474 30 10 JEEE C=CCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NCCNC(C)=O)ncnc21 1875231083 YTPBLTXPRUWQLP-UHFFFAOYSA-N 477.569 2.136 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)N1CCC[C@@H](B2OC(C)(C)C(C)(C)O2)C1 2124533307 OGIRFRJDWNCWDW-CVEARBPZSA-N 474.429 2.399 30 10 JEEE C#CCC[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 2230859298 QVHFDHUWDUOOKQ-MTHXSQLBSA-N 465.591 2.273 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](NC(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2255803717 SKFMPPZFFXEYHW-CVEARBPZSA-N 452.382 2.147 30 10 JEEE C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1cc(B2OC(C)(C)C(C)(C)O2)cs1 2256627848 YOPJBGLMORWPQZ-BBRMVZONSA-N 454.398 2.280 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H](C)CN(C)C(=O)OC(C)(C)C 2267150487 CSKDQWPYKLKDIP-AWEZNQCLSA-N 450.389 2.261 30 10 JEEE CC(C)(C)OC(=O)NC1CC(O)(C(=O)Nc2ccc(Cl)c(B3OC(C)(C)C(C)(C)O3)n2)C1 2268711618 NFRYCUSKBLRFEW-UHFFFAOYSA-N 467.759 2.391 30 10 JEEE CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)Nc1ccc(F)c(F)c1B1OC(C)(C)C(C)(C)O1 2268712538 XGENZVAIIKIQRH-CQSZACIVSA-N 456.295 2.478 30 10 JEEE CC(C)(C)OC(=O)NC[C@@]1(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)CC12CCC2 2268721506 MBLCMHFMQZYJAJ-OAQYLSRUSA-N 464.397 2.283 30 10 JEEE C[C@H]1CN(Cc2ccccc2)C[C@@H](C)CN1C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2281952673 ZPIBOGGEFNIHLZ-MSOLQXFVSA-N 453.396 2.097 30 10 JEEE Cc1nc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H]3COC[C@@H]32)c(B2OC(C)(C)C(C)(C)O2)s1 2282520551 RFSXOVQCLXKWJS-GJZGRUSLSA-N 479.408 2.211 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@]2(F)C[C@H](NC(=O)OC(C)(C)C)C2)n1 2282589604 POGFVNCMXOPFJM-CAJLXGCNSA-N 466.363 2.327 30 10 JEEE COc1cccc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1COC[C@@H]1NC(=O)OC(C)(C)C 2282611013 FTDFZGZJWQJQNS-CVEARBPZSA-N 462.352 2.016 30 10 JEEE Cc1cc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2O)ccc1B1OC(C)(C)C(C)(C)O1 2282694495 HDNRVXRJZGAVBO-RTBURBONSA-N 460.380 2.394 30 10 JEEE CC(C)(C)OC(=O)NC[C@]12CC[C@H]1CN(C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)C2 2282700152 NXXXAMPDIMBKLQ-WNSKOXEYSA-N 458.368 2.153 30 10 JEEE C[C@@H](NS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)c1cnn(Cc2ccccc2)c1 2282842559 ABNYZOGHZQJXBQ-MRXNPFEDSA-N 471.392 2.004 30 10 JEEE CN(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2285187561 FUXMQGOFKNWMAQ-GOSISDBHSA-N 465.375 2.196 30 10 JEEE Cc1nc2ccccn2c1C(O)=C1C(=O)C(=O)N(CCCN2CCOCC2)[C@H]1c1cccnc1 2296925623 QHJJTRYDEJDSKP-QFIPXVFZSA-N 461.522 2.182 30 10 JEEE CC(C)N1C[C@@H](c2nnc(SCC(=O)NCc3ccco3)n2N=Cc2ccncc2)CC1=O 2329020375 QBLCWPJTKPAHGI-KRWDZBQOSA-N 467.555 2.281 30 10 JEEE CN(Cc1nc(NC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)n[nH]1)C(=O)OC(C)(C)C 2337401499 KOKAJZBQOKWNAB-UHFFFAOYSA-N 464.357 2.180 30 10 JEEE N#CC1CC(O)(CS(=O)(=O)c2cc(I)ccc2Br)C1 2338306103 LGXOXQBBJHVEPI-UHFFFAOYSA-N 456.099 2.492 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)[C@H]3CCN2C3)C1 2342752925 ZJPDNVAZQLHARU-SNTJIJGESA-N 462.591 2.103 30 10 JEEE CC(C)(C)OC(=O)N1CCC(Nc2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)(C(N)=O)CC1 2371995017 VXRMDMCOTRTQPU-UHFFFAOYSA-N 464.347 2.187 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)c3cc(C)n([C@@H]4CCS(=O)(=O)C4)c3C)cc2C1=O 9701625 ATTAALQALHVPRV-QGZVFWFLSA-N 484.530 2.286 30 10 JEEE N#C[C@H]1C(=O)Nc2nc(N3CCC4(CC3)OCCO4)[nH]c(=O)c2[C@@H]1c1cccc2ccccc12 72444431 BXCXTLHAZRQDGP-RTBURBONSA-N 457.490 2.490 30 10 JEEE CNC(=O)c1ccccc1C#CCNC(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 96348529 WIXWMUNUVSUDEN-MRXNPFEDSA-N 454.324 2.330 30 10 JEEE CSc1ccc(/C=c2/s/c(=C(\C#N)C(=O)N3CCN(C)CC3)n(-c3cccc(C)c3)c2=O)cc1 105752227 GEQNQFZYESZNGM-PXCYAORCSA-N 490.654 2.206 30 10 JEEE N#Cc1cnn(-c2ccccn2)c1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 170526033 VYHLRYQZDPISMM-UHFFFAOYSA-N 472.914 2.066 30 10 JEEE CCN(C(=O)CON=Cc1ccc(OC)cc1OC)c1c(N)n(Cc2ccccc2)c(O)nc1=O 254823124 VZXGLUNPCXMDDW-UHFFFAOYSA-N 481.509 2.000 30 10 JEEE C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)OCC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)O2 728095636 ORYUNSURLRHFJR-PVPMGCCUSA-N 489.484 2.297 30 10 JEEE C#CC[C@]1(C(=O)Nc2ccc(S(=O)(=O)CCO)cc2C)CCCN1C(=O)OC(C)(C)C 1156101573 DCWXIUISEKAYDT-JOCHJYFZSA-N 450.557 2.493 30 10 JEEE C#Cc1cccc(NC(=O)CNS(=O)(=O)c2ccc(NC(C)=O)c(Br)c2)c1 1185653064 AWPAMLUPCAPCQW-UHFFFAOYSA-N 450.314 2.306 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1CCCNS(C)(=O)=O 1286278262 BREFZIUBSCJSSK-ZDUSSCGKSA-N 470.393 2.113 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1Cc1cccc(CS(C)(=O)=O)c1 1286288023 FMTDNZBZNIRNKJ-HNNXBMFYSA-N 455.540 2.057 30 10 JEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@H](C)c1ccc([S@@](C)=O)cc1 1286338139 GYBZGMPJMCRVIC-PWEULYCESA-N 451.618 2.237 30 10 JEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1CCN(C2CC2)CC1 1286365839 KRCJBSOHBWWKKZ-UHFFFAOYSA-N 456.616 2.139 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H](C)c1nc(C)cs1)[C@H]1CCS(=O)(=O)C1 1286394860 XIBFROWRUOIVNT-APWZRJJASA-N 470.624 2.459 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccc(C)cc1)N1CCCC1 1286409363 KXUDANNDKSQELA-DHIUTWEWSA-N 465.623 2.399 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CC(CC)(CC)NC(=O)OC(C)(C)C)CC1 1286471637 PJQVOPKNCDBKPG-UHFFFAOYSA-N 475.638 2.255 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CCC2(COC)CCC2)CC1 1286491163 HPNPTBILXGRZGS-UHFFFAOYSA-N 450.587 2.437 30 10 JEEE C#CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1286499306 KOBPDHBVKHWKNM-QGZVFWFLSA-N 462.597 2.096 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1286545700 AKPBNIKWJJJQDI-VQTJNVASSA-N 460.623 2.481 30 10 JEEE C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1286588397 DYIPFKAKPJLLPX-QHCPKHFHSA-N 454.531 2.353 30 10 JEEE C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1286588747 IEUJGPHEONZVNK-UHFFFAOYSA-N 454.575 2.283 30 10 JEEE C=C(C)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1286592637 ODSBXLOUCNQDDF-PXNSSMCTSA-N 461.588 2.475 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(Cc2cc(C)on2)CC1 1286780648 PQTRJUNVNOLAHA-SFHVURJKSA-N 483.548 2.478 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1286814214 NJMOPHMTUJQWLK-INIZCTEOSA-N 480.541 2.398 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)CCc1nccs1 1286819500 MQZYTKSVAYMHSX-UHFFFAOYSA-N 485.595 2.330 30 10 JEEE CC(=O)N1CCN(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@H](C(C)(C)C)C2)CC1 1286888562 CHFJEVZXFOUFOD-QFIPXVFZSA-N 465.602 2.232 30 10 JEEE CC(C)(O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1287094868 BXZZGGVYZGRRNT-UHFFFAOYSA-N 465.602 2.112 30 10 JEEE C[C@@H](CN1CCOCC1)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1288704870 GKKHDQPUFZBXPL-UGKGYDQZSA-N 486.642 2.189 30 10 JEEE CC[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CC(=O)N(CCOC)C2)C1 1293498690 GDUFNAZFBVIAMC-ICSRJNTNSA-N 452.559 2.460 30 10 JEEE CC#CCCNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 1295706102 NDZDGHNLNSVWCR-OAQYLSRUSA-N 454.508 2.495 30 10 JEEE CNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCCS2)CC1 1299287697 BKJBSCDRRQZOPQ-IBGZPJMESA-N 455.588 2.476 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC2(C)CC2)c1 1300334744 RXQAJQAPHKHYDB-SFHVURJKSA-N 455.584 2.427 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCc2cccc(F)c2)CC1 1300715981 HQVZSZZWFALODF-VWLOTQADSA-N 469.561 2.278 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2CCN2CC=CCC2)CC1 1300730989 JNTFELSAVBSDLQ-UHFFFAOYSA-N 462.598 2.393 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1300873849 HTRVROLFDVHXNH-TZIWHRDSSA-N 470.599 2.316 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(CCOC)C(=O)C1 1300878023 ZHYKHKNEZIYAFL-JPYJTQIMSA-N 485.585 2.239 30 10 JEEE C=C(C)COCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1300980714 LPYITBYNVGCPGP-GBXCKJPGSA-N 477.613 2.398 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1301587599 VTODIWPNSAGMNY-INIZCTEOSA-N 496.659 2.338 30 10 JEEE C[C@]1(C#N)CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1303939542 HPBYDAPKKTUNHT-WMZHIEFXSA-N 483.598 2.140 30 10 JEEE N#Cc1ccc(-c2nnc(N3CCO[C@H](C(F)(F)F)C3)n2CC(=O)NCC(F)(F)F)cc1 1316529820 DRBQJHJFRUDUOF-ZDUSSCGKSA-N 462.354 2.263 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC(F)(F)F)CC1 1358929895 KNXBKDMKHXNSPW-MRXNPFEDSA-N 463.526 2.193 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2Cl)n1CCC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1358958182 JGNLIWYIPXBRBO-HNNXBMFYSA-N 484.409 2.357 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CCC[C@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1358964694 FENZBYJFDHLLFV-LEWJYISDSA-N 457.600 2.240 30 10 JEEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H](C)NC(=O)OC(C)(C)C)CC1 1359037415 ISSLQSLRIVXQHS-MRXNPFEDSA-N 459.620 2.302 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2CC2(S(C)(=O)=O)CCCC2)CC1 1359043198 KYFYDFMMZTXDSX-UHFFFAOYSA-N 469.611 2.268 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](c2cccnc2)C(C)C)CC1 1359047283 ZIUJUMMHXBVDLE-QFIPXVFZSA-N 477.613 2.201 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H](OC)c2ccc(F)cc2)CC1 1359048081 DRIAJJWZCGEZJC-PMVMPFDFSA-N 499.587 2.495 30 10 JEEE C=C(Cl)Cn1c(N2C[C@H](C(=O)NCCOC)CC[C@@H]2C)nnc1[C@]1(OCC)CCOC1 1359156676 MVCCFGVKDJAGBW-FVJLSDCUSA-N 455.987 2.050 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)CCCN2C 1359281534 DABRNKRMCFSOOD-FQEVSTJZSA-N 459.616 2.250 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@H](c2cccc(F)c2)C1 1359291102 DUXQFYJAUPMKJY-IBGZPJMESA-N 458.538 2.216 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1359328580 IZJLMTAQXJBJFK-RDJZCZTQSA-N 498.696 2.356 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1Cc1cnccc1OC)[C@@H]1CCS(=O)(=O)C1 1507636060 YAKHBBTUCQMTBB-GOSISDBHSA-N 457.581 2.009 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@H]1CCCN(C(C)=O)C1 1507711782 ZLNKGCOPRYUXET-SIKLNZKXSA-N 453.543 2.135 30 10 JEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 1507741047 JYKNGPLSJKXROI-QGZVFWFLSA-N 462.620 2.374 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1507742563 LRTCEABMUGYVMZ-QFIPXVFZSA-N 476.625 2.402 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1507743471 CNALGGNQCIOMEP-IBGZPJMESA-N 467.599 2.070 30 10 JEEE C#CCSCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1507750524 XSHRYCLKIWNLNZ-UHFFFAOYSA-N 499.666 2.357 30 10 JEEE C#CCSCCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1507755893 DDSQBVBXDLDQAV-LJQANCHMSA-N 493.630 2.367 30 10 JEEE C=C(Br)Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@]2(CCOC2)C1 1507789682 IGMNAFDJMNYFHJ-GOSISDBHSA-N 468.377 2.174 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C)[C@@H]1C 1508104290 LMNVWGMPTSHPHY-WFXMLNOXSA-N 475.615 2.459 30 10 JEEE C=CCN(C(=O)C1CCN(S(=O)(=O)c2ccc(C(=O)OCC)cc2)CC1)[C@@H](C)COC 1532289666 DULIXLIPVQUOGB-KRWDZBQOSA-N 452.573 2.314 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2ccsc2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1539285184 FRNHKHZYJOWFOT-PMACEKPBSA-N 457.625 2.207 30 10 JEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC(n2c(O)nc3ccccc32)CC1 1539631208 HWFZOQFMYGIZEC-OAHLLOKOSA-N 453.524 2.144 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1539645543 QYGAMMGVHQIVAY-XPNTWCBSSA-N 455.607 2.426 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CC(=O)NC2CCCC2)CC1 1539744718 UKFQPMCXBMNNKN-FQEVSTJZSA-N 458.607 2.487 30 10 JEEE C=CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@H](C(=O)NC)C1 1539982010 PYJCNEDESOWPBO-KRWDZBQOSA-N 459.620 2.475 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cnccc1OC 1540187700 UXFAVFGXUWAIMJ-KRWDZBQOSA-N 457.556 2.460 30 10 JEEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(CC(C)(C)C)n1C[C@H]1CCCN1CCCO 1544581906 BLALLTDOUAQZTJ-VQTJNVASSA-N 481.649 2.090 30 10 JEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 1587766113 ONEKMVWFZZWLAM-SJLPKXTDSA-N 474.583 2.055 30 10 JEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1CCNC(=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1588059469 ORCKIXFOEFQXIQ-LJQANCHMSA-N 492.045 2.311 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@](C)(O)C1CC1 1588185574 JKMUOKKZRNLWND-QHCPKHFHSA-N 454.600 2.171 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2Cc2cccc(C(=O)NC)c2)CC1 1588923745 LACACOXJOUWFDF-UHFFFAOYSA-N 471.565 2.022 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCNC(=O)C2CC2)CC1 1588947633 RZBXSTOFXFUVAS-UHFFFAOYSA-N 468.989 2.014 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@H](C)CN2CCOCC2)CC1 1588961542 CZOLUHAEWUKDKP-JOCHJYFZSA-N 494.640 2.100 30 10 JEEE C=C(Br)Cn1c(Cc2ccncc2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1589427309 HHBRPEYVNVZCMD-KRWDZBQOSA-N 483.436 2.280 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(C)nn1C 1595083359 BXHPWCMDSYBENU-QGZVFWFLSA-N 468.587 2.043 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@]1(C)OCCc2sccc21 1595303558 VCXRJYGBMNEWJT-KKSFZXQISA-N 466.629 2.369 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C)c(Br)c2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1595500715 CSDOKAOSQRGCKH-INIZCTEOSA-N 496.431 2.332 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)Cc2ccccn2)cc1 1595614095 NJRQFZMQCZRWHD-QFIPXVFZSA-N 498.609 2.256 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1595776586 BTJCFGJXHANZSI-KNQAVFIVSA-N 489.642 2.102 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC[C@@H](NC(=O)CC)C1 1595812024 KTPXECWKAHTRNA-LJQANCHMSA-N 484.626 2.446 30 10 JEEE C#CCN(C(=O)c1ccc(S(N)(=O)=O)c(Cl)c1)C1CCN(C(=O)OC(C)(C)C)CC1 1596146700 BDYSYPKNHJBPSY-UHFFFAOYSA-N 455.964 2.462 30 10 JEEE C=CCc1cc(CNC(=O)c2c(OC)ccc(S(N)(=O)=O)c2OC)cc(OC)c1OC 1598111001 JHKINMSGZSPXDR-UHFFFAOYSA-N 450.513 2.027 30 10 JEEE C=CC[C@]1(C(=O)NCc2ccc(S(=O)(=O)CCO)cc2)CCCN1C(=O)OC(C)(C)C 1623469339 TUGYFYMQMJNSRN-JOCHJYFZSA-N 452.573 2.415 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1Cc1cccnc1OCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1689991983 FJMHSAUIIQAIDY-QGZVFWFLSA-N 485.532 2.488 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1CCCc1c[nH]nc1C)[C@H]1CCS(=O)(=O)C1 1689993161 WXLLAHUKTSQFDR-FQEVSTJZSA-N 470.574 2.299 30 10 JEEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1C[C@@H]1OCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1689995808 AITMGZUWFVNSJM-RXVVDRJESA-N 488.610 2.308 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)c(C)c2)n1CC1(O)CCS(=O)(=O)CC1 1690212454 MIGBLEYSQQCEJC-HSZRJFAPSA-N 472.611 2.406 30 10 JEEE C=C(C)COCCn1c(-c2cc(OC)cc(OC)c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1690303449 YZIOBHQMQAMTRJ-QGZVFWFLSA-N 450.561 2.178 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)NCC(F)(F)F 1690596784 AANUFKAQNUSETO-HNNXBMFYSA-N 488.511 2.443 30 10 JEEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1690632745 NZXOPYZZWOCPBZ-SFHVURJKSA-N 460.604 2.122 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3)n2CCS(=O)(=O)N2CCSCC2)C1 1690691196 AIMXSHGGFZJQAJ-IBGZPJMESA-N 463.629 2.105 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCO[C@]2(CCOC2)C1 1690730095 VGVXYOJDVZIZEQ-HSZRJFAPSA-N 476.599 2.070 30 10 JEEE COCC(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC2CCOCC2)CC1 1697717041 DKFYQDXESKOMIJ-UHFFFAOYSA-N 482.585 2.277 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1Cc1c(CC)noc1C)[C@@H]1CCS(=O)(=O)C1 1705559994 CVLURIKEXBPLIV-LJQANCHMSA-N 464.551 2.351 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCN1CCC)[C@H]1CCS(=O)(=O)C1 1705563614 AVIMUWCLSAZPFH-VXKWHMMOSA-N 466.611 2.318 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)cc1C(F)(F)F 1705613416 ZPHBNGMSYHNXJU-KRWDZBQOSA-N 489.495 2.277 30 10 JEEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1705721211 PSXBCVFAVJYXQJ-HZPDHXFCSA-N 456.613 2.300 30 10 JEEE C=CCN(CCc1ccco1)c1nnc(-c2cccnc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1705880306 BCFUWYLWYJBQSX-GOSISDBHSA-N 456.572 2.450 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1705899566 XQTTYIFMAGSNNY-UHFFFAOYSA-N 451.575 2.282 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N(C)C[C@@H]1CCCCO1 1705900942 VAOPWHDZPVAPJI-SFHVURJKSA-N 479.585 2.373 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(C[C@@H]3CCOC3)CC2)cc1 1705910333 ZERIOYLGUQYTNT-NRFANRHFSA-N 468.602 2.188 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CC[C@H](C(=O)N(C)c2ccccc2)C1 1705932301 RMJSOJMWVNGOEQ-IBGZPJMESA-N 480.594 2.430 30 10 JEEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1Cc1ccc(C[S@](C)=O)cc1 1709136884 ARNAMIWUAFWQGT-XIFFEERXSA-N 466.615 2.008 30 10 JEEE CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1709630611 HURZRSWEKBJOGL-UHFFFAOYSA-N 460.542 2.349 30 10 JEEE CCN(CC)[C@@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1710012959 GAAPMIGZVLIPKT-REWPJTCUSA-N 499.685 2.104 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1C[C@](C)(O)CCC)[C@H]1CCS(=O)(=O)C1 1722363283 FCXOCTURUPLCAJ-OXJNMPFZSA-N 498.447 2.224 30 10 JEEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1C[C@@H]1NC(=O)CC1(C)C)[C@H]1CCS(=O)(=O)C1 1722372267 SQMJAESLIJGXOE-FPOVZHCZSA-N 499.637 2.015 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@](C)(O)[C@H](C)CC 1722394561 WTNVCUFWDOCASV-WZONZLPQSA-N 456.616 2.498 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCc2ccc(OC)c(OC)c2OC)CC1 1722447956 RJZCYQWCYAVESF-HXUWFJFHSA-N 497.596 2.016 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(OC)cc3)n2CCn2cc(Cl)cn2)CC1 1722451142 YDSKTEPTJMLMFK-UHFFFAOYSA-N 497.987 2.382 30 10 JEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](C(=O)N[C@@H](C)CCC)C1 1722452459 GVUPLZWNDUFSIR-RBUKOAKNSA-N 460.648 2.402 30 10 JEEE C#CCSCCn1c(N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)nnc1[C@@]1(OCC)CCOC1 1722464433 GEMDUKGGJXCVSX-FDDCHVKYSA-N 495.646 2.027 30 10 JEEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1722481244 WZHOWHRNHOCQCS-KSZLIROESA-N 472.428 2.458 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 1722491300 JUQGIKXYQVOGNJ-SCTDSRPQSA-N 476.603 2.166 30 10 JEEE C=C(C)Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1722521132 ASEOMIBODCRPGS-LJQANCHMSA-N 452.559 2.093 30 10 JEEE C=C(C)COCCn1c(-c2cc(F)ccc2Br)nnc1N1CCO[C@@H](C(=O)NC)C1 1722530496 GMUYUQBPOROZRH-QGZVFWFLSA-N 482.354 2.391 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1Cl 1722672329 OCEAOOPRKAEIGW-SFHVURJKSA-N 451.980 2.491 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1722694383 UHRFPTXHCWNSDP-LJQANCHMSA-N 491.600 2.077 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cccc(Cl)c2)C1 1722717953 FOVVCWMUTIJNKY-RBUKOAKNSA-N 482.006 2.094 30 10 JEEE C=CCOc1ccc(Cn2c(N3CCN(C(=O)CN4CCOCC4)CC3)nnc2C(C)(C)C)cc1 1722731349 KTEQKJXAVLTVKF-UHFFFAOYSA-N 482.629 2.170 30 10 JEEE Cc1nn(C)c(N2CCN(c3nnc(CC(C)(C)C)n3CC3([S@](C)=O)CCC3)CC2)c1C#N 1725867392 HDVDZZJUMJWABX-XIFFEERXSA-N 472.663 2.408 30 10 JEEE CCCNC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCOC[C@@H]2C)C1 1728175239 CZUWFRKCPZFNFY-RBBKRZOGSA-N 495.628 2.192 30 10 JEEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1CCc1cn[nH]c1)[C@H]1CCS(=O)(=O)C1 1740617400 QNXXISUVUYIKJF-LEWJYISDSA-N 452.584 2.413 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1CCc1nccnc1C)[C@H]1CCS(=O)(=O)C1 1740624049 DHJCUAWZVQADOI-NRFANRHFSA-N 464.595 2.031 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1CCn1cc(C)cn1)[C@@H]1CCS(=O)(=O)C1 1740627884 KUDWWUCBJMDDDH-OAQYLSRUSA-N 482.610 2.306 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1740642619 SPJRUTXLRWWYLP-LJQANCHMSA-N 461.599 2.207 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C2CC2)n1CCS(=O)(=O)N1CCSCC1 1740676369 ASRTUVGTJVWTTG-UHFFFAOYSA-N 463.604 2.313 30 10 JEEE C=C(Br)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](NC(C)=O)C1 1740738169 GCFRXIOYOVBBFJ-MRXNPFEDSA-N 482.404 2.362 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](C(=O)NC)C1 1740754424 SMEAZTSTXYEEOC-SBHAEUEKSA-N 487.626 2.292 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1740761246 VCWOCANVYQSXJP-RBBKRZOGSA-N 474.631 2.011 30 10 JEEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1740811150 MVLAUOOJBDAHTF-HNNXBMFYSA-N 466.951 2.168 30 10 JEEE C=C(Cl)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1740813255 AIELYLPVSRRFQU-VGOFRKELSA-N 484.004 2.470 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCO[C@@H]1C(C)C)C1CC1 1740910938 UVBJECTUIANSMA-YSIASYRMSA-N 467.636 2.217 30 10 JEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(C(=O)c2ccc(O)cc2)CC1 1740963168 BLOLAOGKWCOFKV-UHFFFAOYSA-N 477.569 2.247 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1740994837 UXKUCZUWORJYMN-FGZHOGPDSA-N 490.626 2.459 30 10 JEEE CC(C)(C)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1741172611 DNVOWLXGGYIJEC-NRFANRHFSA-N 485.658 2.051 30 10 JEEE CC(C)(C)Cc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CCC(=O)N1CCOCC1 1741196929 DINSGTPTIOUDKV-UHFFFAOYSA-N 483.592 2.453 30 10 JEEE Cc1nn(C)c(C)c1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1742658255 CTTOROFESJBKBV-AEFFLSMTSA-N 485.614 2.385 30 10 JEEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)c2nc(C)cs2)CCO1 1748209198 DSBCULBSNGTXQI-KDOFPFPSSA-N 451.556 2.337 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2Cc2cnn(C)c2C)c1 1748694798 ONQVDZSYSAZJMD-UHFFFAOYSA-N 454.538 2.410 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCCNC(C)=O)[C@@H]1CCS(=O)(=O)C1 1748803888 AXDIKZRSOSCXFV-PZJWPPBQSA-N 487.626 2.188 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1Cc1cnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1748809266 RAHDDUMALLXODU-QGZVFWFLSA-N 457.581 2.394 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1C[C@@H](C)O[C@H](C)C1 1748830963 BSMWTBSBPVDIDP-RTBURBONSA-N 469.611 2.472 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@]1(OC)CCOC1 1748844032 NBMXSEIRQAMOPH-CYFREDJKSA-N 457.575 2.271 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCCS(=O)(=O)C1 1748944118 LTSBTISUQRPZGT-SFHVURJKSA-N 456.547 2.282 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1748978944 URFKOLHIEBOMMJ-ROUUACIJSA-N 478.018 2.261 30 10 JEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2cccc(Cl)c2)C1 1749023896 ZFLCHGRCXGXJJI-YJBOKZPZSA-N 484.047 2.486 30 10 JEEE C#CCSCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1749039784 BDUKNKIEFXNRCS-GOSISDBHSA-N 473.002 2.361 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@@H](CN2CCOCC2)C1 1749114686 FMMAQESGBLTVOQ-ONTIZHBOSA-N 474.650 2.336 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1749175248 AYVIFAOSIQSGBP-HNNXBMFYSA-N 471.505 2.430 30 10 JEEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1749627479 OMVPIPQNJMHQFF-KRWDZBQOSA-N 482.651 2.344 30 10 JEEE C=CCSCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1749744638 MTKBLURKNNEWKI-OALUTQOASA-N 484.626 2.101 30 10 JEEE C=CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1749749093 GVAHUOFDVLCBNM-UHFFFAOYSA-N 472.615 2.046 30 10 JEEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1749755097 VUKXKPOZSZSFJL-MRXNPFEDSA-N 453.634 2.086 30 10 JEEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(-c2ccccn2)n1CC[S@@](=O)C(C)(C)C 1752280560 FQGFKLABDFOPDI-UYCLUKJHSA-N 479.614 2.264 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ncnn1C(C)(C)C 1760117760 SVFDHAYZJTZFJG-IAGOWNOFSA-N 472.594 2.439 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCCO3)n2CCNC(=O)C2CC2)c1 1760128850 UUXLGFMQXIMMPP-HXUWFJFHSA-N 450.543 2.102 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(Nc2cccc(C)c2)CC1 1760154751 HNLQDWFCDVIZPU-JOCHJYFZSA-N 486.642 2.414 30 10 JEEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCO[C@H]1c1ccc(C)cc1 1760175407 JCRFQIHAYYCNNS-FSSWDIPSSA-N 487.626 2.157 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@](C)(OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1760180490 GKJNOIZDJBMBTH-JXFKEZNVSA-N 496.431 2.478 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1CCCCSC)[C@@H]1CCS(=O)(=O)C1 1760183594 BYWMDUPLGUGCOR-GOSISDBHSA-N 476.624 2.486 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H]1C[C@H](C)O[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1760189482 UUIVCIIFTQJYFF-IVDHNXQLSA-N 450.605 2.002 30 10 JEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1CC[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1760191257 DLLKHXVYPUVBLX-SFTDATJTSA-N 472.611 2.125 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1N1CCCCC1 1760206288 VMXINVMAWFQJGE-NRFANRHFSA-N 451.596 2.292 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2Cc2nncn2CC)CC1 1760265796 JMQGPUVKOCFDIP-KRWDZBQOSA-N 480.548 2.183 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CSc3ccccc3OC)n2C[C@@]2(C)COCCO2)CC1 1760273059 HFOZGIGJBCRPPC-VWLOTQADSA-N 499.637 2.350 30 10 JEEE C=CCC(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1760415275 STFZNBYYAAHTJW-UHFFFAOYSA-N 482.614 2.459 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCO[C@H](c2cccc(OC(F)F)c2)C1 1760522208 NVIKSVDTVDMQME-WMZOPIPTSA-N 463.485 2.264 30 10 JEEE C=CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1760565210 QXBXCLUJRZWVDS-FQEVSTJZSA-N 490.674 2.379 30 10 JEEE CCCn1nc(-c2nnc(N(CCC#N)CC3CC3)n2CC(=O)N(C)C)c2ccccc2c1=O 1764493254 GWBHIMGTXVACMX-UHFFFAOYSA-N 462.558 2.283 30 10 JEEE COCC[C@](C)(O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1769566041 ARHWJPGBTYGBRD-RDGATRHJSA-N 479.585 2.377 30 10 JEEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCOc2ccc(NS(=O)(=O)c3ccccc3C#N)cc21 1858469260 JAMBIWDXFWQSTH-UHFFFAOYSA-N 473.536 2.287 30 10 JEEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1ccc2c(c1)OCCO2 1865723086 HKIVRENEMZTJOA-IBGZPJMESA-N 498.580 2.027 30 10 JEEE C=CCn1cc(OCC(=O)Nc2ccc(C)c(Cl)c2)c(=O)cc1CN1CCN(CCO)CC1 1870734711 QMNDAIHJIZMEPR-UHFFFAOYSA-N 474.989 2.124 30 10 JEEE C=CCn1c(C(=O)NCCOCCO)cc2c(N3CCN(c4ccccc4Cl)CC3)ncnc21 1873595069 NTKYGSQMJQMKJI-UHFFFAOYSA-N 484.988 2.336 30 10 JEEE N#Cc1ccnc(OC[C@@H]2CCCN(C(=O)C[C@H]3CSc4nc5c(c(=O)n43)CCC5)C2)c1 1891290559 ANPDMJIAWUEKOA-SJORKVTESA-N 451.552 2.353 30 10 JEEE N#CCCNC(=O)C[S@@](=O)CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 2019049265 SAXRPPIZILRPOM-IFXFPORBSA-N 483.546 2.147 30 10 JEEE CC(C)(C)OC(=O)NCC1(O)CCN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)CC1 2082779140 QKIXHTUHKBOVCY-MRXNPFEDSA-N 454.568 2.452 30 10 JEEE CC(C)(C)OC(=O)N1[C@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)COCC1(C)C 2180981145 QJWQAOXHYRZZRR-HNNXBMFYSA-N 462.356 2.129 30 10 JEEE CC(C)(C)OC(=O)N[C@H](Cc1cnc[nH]1)C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2206613529 XGULOOMGNSAWNI-MRXNPFEDSA-N 457.340 2.178 30 10 JEEE C=C(CS(=O)(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1SC)B1OC(C)(C)C(C)(C)O1 2247961811 ILXVCZQRLOUNNO-LSDHHAIUSA-N 462.443 2.444 30 10 JEEE CCN(C[C@H](C)NC(=O)OC(C)(C)C)C(=O)c1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C 2266990283 PLCFGPSFGJBOIL-AWEZNQCLSA-N 450.389 2.403 30 10 JEEE CC(C)(C)OC(=O)N1CCC(NC(=O)[C@H]2C[C@H](B3OC(C)(C)C(C)(C)O3)C2)(C(N)=O)CC1 2267118534 ZGVXSCGKNCMQKV-SHTZXODSSA-N 451.373 2.230 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C1)[C@@H]2NS(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2267372584 QFYVPLVTRDSQSV-BCDXTJNWSA-N 464.393 2.129 30 10 JEEE CC(C)(C)OC(=O)NC1(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)CCOCC1 2267533955 ARYDUHPAGONADI-UHFFFAOYSA-N 467.397 2.246 30 10 JEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)c1ccoc1B1OC(C)(C)C(C)(C)O1 2267551279 KLMNDVQCCZFOPE-JKSUJKDBSA-N 450.341 2.333 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@]2(NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2267714536 YAPHWSLBVLFHBU-QRQCRPRQSA-N 464.393 2.274 30 10 JEEE Cc1nc(NC(=O)[C@H]2CN(C(=O)OC(C)(C)C)CCS2)ncc1B1OC(C)(C)C(C)(C)O1 2268715480 IQNJXYTUCQYHJT-OAHLLOKOSA-N 464.397 2.375 30 10 JEEE CC(C)(C)OC(=O)N1CCN(CCCN=c2[nH]ccc(B3OC(C)(C)C(C)(C)O3)c2F)CC1 2280789851 AGJYEIOQEJYICZ-UHFFFAOYSA-N 464.391 2.297 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@H](CNC(=O)c2c(F)cccc2B2OC(C)(C)C(C)(C)O2)C1 2281773218 PMHYFHHUVOTTSA-HNNXBMFYSA-N 464.343 2.491 30 10 JEEE Cn1cc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C3(CC3)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2281974537 XNNDOBCHPYFRMP-HNNXBMFYSA-N 460.384 2.381 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@](F)(CNC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2282013406 JEHCUPRAWXDBMB-NRFANRHFSA-N 485.387 2.148 30 10 JEEE CC[C@@H]1CN(C(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)CC[C@H]1NC(=O)OC(C)(C)C 2282550541 AACDWYSLJKPUEB-HZPDHXFCSA-N 462.400 2.485 30 10 JEEE Cc1nn(C)c(C(=O)N2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)c1B1OC(C)(C)C(C)(C)O1 2282565558 LYINJHWWNPIKFT-PMACEKPBSA-N 450.392 2.374 30 10 JEEE 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]1C 2282581600 KBHXBTQAWICMIZ-HOCLYGCPSA-N 462.400 2.403 30 10 JEEE CC(C)[C@@H]1[C@@H](NC(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2282583426 JPJZZNQOBQKXNB-DLBZAZTESA-N 462.400 2.483 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2CC[C@@]2(NC(=O)OC(C)(C)C)C1 2282586696 BUZTXBLHHGUDAP-IQMFZBJNSA-N 460.384 2.157 30 10 JEEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)C1NC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2282587075 HZSKJEBZLGFPPI-HUUCEWRRSA-N 462.400 2.341 30 10 JEEE Cn1nc(C(=O)N[C@H]2C[C@H]3[C@H](C2)C[C@H]3NC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2282616232 YPMRFRAWKBNPTP-LVQVYYBASA-N 460.384 2.141 30 10 JEEE C[C@@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)C[C@@H]1CNC(=O)OC(C)(C)C 2282628842 PUKASMPEGNMIRA-CVEARBPZSA-N 462.400 2.342 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1CCc2sc(B3OC(C)(C)C(C)(C)O3)cc2C1 2283957046 NVRMSFQFAYPNFR-HZPDHXFCSA-N 478.420 2.302 30 10 JEEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](CC(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)O1 2283976380 CHVTXHITKCQOHW-HUUCEWRRSA-N 481.424 2.473 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCc2cccc(B3OC(C)(C)C(C)(C)O3)c21)C1COC1 2284017737 OQQMCJOULDUDGT-GOSISDBHSA-N 458.364 2.415 30 10 JEEE Cc1ncc(C(O)=C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccc(F)c2)c(C)n1 2296617489 UKJJTECGRYKYIQ-OAQYLSRUSA-N 454.502 2.377 30 10 JEEE COc1cc(C=NNc2cnn([C@@H]3CCS(=O)(=O)C3)c(=O)c2Cl)ccc1OC(C)C 2322614680 QKPUNHDHCNFWLI-CQSZACIVSA-N 454.936 2.498 30 10 JEEE CCOc1ccc(C=CC(=O)Nc2c(C#N)nnn2-c2ccc3c(c2)C(=O)N(C)C3=O)cc1OC 2332190636 DFKGBPWUUMSNBE-UHFFFAOYSA-N 472.461 2.424 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](NC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)CCO1 2337340717 JLWOLYDTNRHANU-KBPBESRZSA-N 467.397 2.244 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@](C)(CNC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C1 2337400295 RJECNXYRBNJTAK-OAQYLSRUSA-N 467.397 2.198 30 10 JEEE COc1nc(N(CCNC(=O)OC(C)(C)C)C[C@H](C)O)ccc1B1OC(C)(C)C(C)(C)O1 2339785140 OVRWIJKYXBTQJW-HNNXBMFYSA-N 451.373 2.101 30 10 JEEE CC(C)(C#C[C@H](NN)c1cc(I)ccc1Br)S(C)(=O)=O 2365196249 KKKVVCPFFZFAKE-LBPRGKRZSA-N 471.158 2.385 30 10 JEEE Cn1c(CCC(=O)OCc2ccc(C#N)cc2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 12046336 XHKCMUUHCKWLGC-UHFFFAOYSA-N 468.535 2.142 30 10 JEEE C=CCNC(=O)[C@@H](NC(=O)c1ccc2c(c1)OCO2)C1CCN(C(=O)c2ccccc2OC)CC1 36211669 DFEREFKGHIXNMC-QHCPKHFHSA-N 479.533 2.377 30 10 JEEE COCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccc2c(c1)OCCO2 170325459 KECKYBPVAPBYGW-NRFANRHFSA-N 453.447 2.454 30 10 JEEE N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)NCCCN2CCCS2(=O)=O)c1 608778701 UVSIRFYWVTYHGN-UHFFFAOYSA-N 472.592 2.444 30 10 JEEE CCc1ccc([C@@H](CNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)N(C)C)cc1 616172796 STBDWSQEWBKTON-JOCHJYFZSA-N 469.611 2.439 30 10 JEEE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 704379737 FHPQEDJGSBBSBG-UHFFFAOYSA-N 499.398 2.445 30 10 JEEE CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)/C(=C(/C)NCc3nnc4ccccn34)C(=O)[C@]12C 1075947578 BLCKSYSJNSXDFF-ZICVCWAASA-N 474.473 2.401 30 10 JEEE C#CCNS(=O)(=O)N1CCN(C(=O)c2nc(-c3ccccc3)oc2-c2ccccc2)CC1 1175514818 JDSVHADHBPOBMG-UHFFFAOYSA-N 450.520 2.234 30 10 JEEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCc1ccc(S(N)(=O)=O)cc1 1286381852 ONCDZAUJWFSQHP-HDICACEKSA-N 488.614 2.008 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@H](C)N(C)C1CC1)[C@H]1CCS(=O)(=O)C1 1286388417 OTGUNIFVBJFKSJ-YJBOKZPZSA-N 463.007 2.103 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCc1ccc(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1286391694 FNVBGJQKNICTEF-VQTJNVASSA-N 488.610 2.059 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCCOC(F)F)CC1 1286489136 HEVWYMYKWWGIGZ-UHFFFAOYSA-N 475.496 2.311 30 10 JEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1286493938 IEOAFJTUUVRRFL-UHFFFAOYSA-N 458.632 2.109 30 10 JEEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCCN(Cc2ccc(OC)cc2)C(=O)C1 1286503979 MQLULZVWPPIPBA-UHFFFAOYSA-N 477.594 2.349 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc(OC)cc1OC 1286518064 YIXMWHBTXXAMKR-OPAMFIHVSA-N 461.588 2.140 30 10 JEEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(O)(Cc2ccc(F)cc2)CC1 1286586103 WASBPFDEPSSEPG-INIZCTEOSA-N 451.568 2.178 30 10 JEEE C=C(C)COCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](C)C1 1286607360 GKMWXMVFOXBHGB-ROUUACIJSA-N 451.568 2.404 30 10 JEEE C=C(Cn1c(C(=O)NC(CC)CC)nnc1N1CCN2C(=O)N(C)C[C@H]2C1)c1ccccc1 1286614871 DAKKVJAZGDYYFZ-FQEVSTJZSA-N 451.575 2.466 30 10 JEEE C=CCCOCCn1c([C@H]2CCCOC2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1286712180 TYIRIHRBBBAHGQ-SFHVURJKSA-N 496.659 2.041 30 10 JEEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1300345442 WXBPCRLQBMWQEB-VQTJNVASSA-N 455.584 2.400 30 10 JEEE C#CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1300391904 VJQDNKPVUBCOOH-LJQANCHMSA-N 465.558 2.400 30 10 JEEE C#CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC(C(=O)NCC#C)CC1 1300403251 JWWLVPPOLHLNFO-UHFFFAOYSA-N 471.565 2.054 30 10 JEEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(OC)c(OC)c1Cl 1300464683 HLJWLDIERKKSBY-HNNXBMFYSA-N 452.964 2.163 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H](C)Oc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1300497432 BKBSXQRCYMLCDR-WIYYLYMNSA-N 483.569 2.497 30 10 JEEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@@H](C)Sc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1300502773 XCKGOEKSRRVNLZ-RTBURBONSA-N 487.651 2.208 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@]1(O)CCC[C@H]1C 1300575202 SSNRGARWFNGYDD-JPYJTQIMSA-N 454.600 2.252 30 10 JEEE COc1ccccc1OCc1nnc(N(C)[C@H](C)CC#N)n1C[C@H]1CCCN1S(C)(=O)=O 1300624702 ALCMYAVUPZGPHH-IAGOWNOFSA-N 462.576 2.028 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCNC(=O)c2ccco2)CC1 1300681867 BUPGLTXHHXCZJJ-GOSISDBHSA-N 466.517 2.335 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)cn2C)n1CCN1CCN(C(C)=O)CC1 1300788925 QWBCNNHSGZICRT-JOCHJYFZSA-N 488.434 2.202 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CCn1cccn1 1301500637 OFBVQEWUIHMHFL-GOSISDBHSA-N 472.594 2.028 30 10 JEEE CC(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CN(CC(C)C)CCO2)CC1 1301695659 CTWQYSYCEDFXHE-QHCPKHFHSA-N 465.602 2.232 30 10 JEEE C#CCN1CCC[C@H](NC(=O)c2ccc(OS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)cc2)C1 1303558332 XVIIUVKPYVTASM-SFHVURJKSA-N 457.508 2.498 30 10 JEEE Cc1ccc(S(=O)(=O)NCCN(C)C(=O)Nc2ccc(Br)c(C#N)n2)cc1 1311071446 BZMVACIPDAPVIY-UHFFFAOYSA-N 452.334 2.466 30 10 JEEE CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(C(=O)CC2CCCC2)CC1 1314641539 ATBDHFOJPRLIPL-UHFFFAOYSA-N 493.612 2.436 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCO[C@@H]2C(C)C)c1 1358902187 GYVQMNHSMMPCMS-GREBRCKQSA-N 464.570 2.347 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1CCc1c(F)cccc1F)[C@H]1CCS(=O)(=O)C1 1358960294 BAAACPLYLZFXTG-INIZCTEOSA-N 457.506 2.488 30 10 JEEE C#CCN(c1nnc(C2CCC2)n1CCNc1nccc(C(F)(F)F)n1)[C@H]1CCS(=O)(=O)C1 1358962446 PWBGBAHVLLCEGI-HNNXBMFYSA-N 483.520 2.093 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CCc1ccc(F)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1358964539 AULSGNCFUZUCFF-LJQANCHMSA-N 471.533 2.412 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@H](c1ccsc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1358965331 SKLGGZVVJHODFU-NHCUHLMSSA-N 484.651 2.255 30 10 JEEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(N2CCOCC2)cc1 1358970559 RHYCSLITDVDQSC-SANMLTNESA-N 463.582 2.276 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2[nH]c(C)c(C)c2c1 1359010576 UCLLPPIGQONWPX-OAQYLSRUSA-N 470.599 2.217 30 10 JEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)Cc2ccccc2C)CC1 1359132026 LASHJPZXMXYSIV-OAQYLSRUSA-N 466.586 2.022 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N(C)C[C@H](c1cccs1)N1CCOCC1 1359300329 ZGFCIZGIRQYAEY-RTBURBONSA-N 474.631 2.393 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCN(c2ccccn2)CC1 1359334101 SMZQLOZWGCIXSR-UHFFFAOYSA-N 470.574 2.330 30 10 JEEE CC(C)[C@@](C)(O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1360670240 GLSJLIUVPSDSLI-HXOBKFHXSA-N 472.615 2.461 30 10 JEEE C#CCN1CCN(C(=O)CSc2nnc(CN3CCCCC3)n2-c2ccc(F)cc2)CC1 1458753488 UHISCWZIBCMKQW-UHFFFAOYSA-N 456.591 2.262 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2CC(F)(F)Br)c1 1507552727 RTDAWGKIZKNBGT-UHFFFAOYSA-N 495.328 2.444 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CCc1ncc(CC)s1)[C@@H]1CCS(=O)(=O)C1 1507634784 MQEUCCCDFGQLPA-GOSISDBHSA-N 470.624 2.152 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@@H](OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1507639055 IYPRHBZAETZDKE-PZJWPPBQSA-N 458.584 2.217 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CC2(SC)CCN(C)CC2)CC1 1507737770 FBWIRKOCNIJCHF-UHFFFAOYSA-N 481.670 2.442 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc(C(=O)NC)cc1 1507791457 MIUWFWKUEXTFEO-NHCUHLMSSA-N 466.586 2.491 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCO[C@@]2(CCOC2)C1 1508074040 PXCNLTUFSSXGAU-FQEVSTJZSA-N 480.338 2.145 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCO[C@H](c2noc(C)n2)C1 1508074054 MCBPZEFOTNRRCN-KSSFIOAISA-N 471.493 2.129 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN([C@@H](C)c2nccs2)CC1 1508075881 BSVQTZNNHODYTD-KRWDZBQOSA-N 462.583 2.459 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CCN(c2ccnc(C)n2)CC1 1508142773 GQCPDQQCKIBRCA-UHFFFAOYSA-N 497.625 2.191 30 10 JEEE CC(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2CCN(C(C)=O)CC2)C1 1508346548 GWWQBWFAORAUHW-QFIPXVFZSA-N 463.586 2.428 30 10 JEEE COCC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)N2CCC[C@H](C)C2)CC1 1518654397 HIEBSPODGSTLCI-SFTDATJTSA-N 495.628 2.144 30 10 JEEE CSC1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H](C(N)=O)C2)CCN(C)CC1 1519922842 HYPGVWBJMPFSSU-IBGZPJMESA-N 453.616 2.346 30 10 JEEE C#CC[C@]1(C(=O)Nc2nn(CCS(=O)(=O)CC)cc2C)CCCN1C(=O)OC(C)(C)C 1524896460 YDFIQNVRAFMTAS-OAQYLSRUSA-N 452.577 2.358 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1538985147 WXXFJVDTMZPISB-LSDHHAIUSA-N 466.405 2.447 30 10 JEEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1539028888 DQVBIQWFLLEMLX-VCOUNFBDSA-N 482.610 2.391 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CCOc1ccc(F)c(F)c1)[C@H]1CCS(=O)(=O)C1 1539226520 ZPGUKTXOSVABIP-SFHVURJKSA-N 487.532 2.248 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(Cl)s1)[C@H]1CCS(=O)(=O)C1 1539230677 JZZGQXLAHQBJPX-MPGHIAIKSA-N 485.031 2.392 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1CC1(OC)CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1539231288 QQTKWNREPCEVBF-IDPGXWOASA-N 450.605 2.352 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H](OC)[C@H](C)CC)CC1 1539451968 HHTBLNJAZZOOIP-HKBOAZHASA-N 490.649 2.403 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCN2CCC(C)CC2)C1 1540892834 RVHRKTCQMMVUHR-VQTJNVASSA-N 451.637 2.084 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H]2CCOC2)C1 1540893197 YNTHNVXESWHIDE-QRVBRYPASA-N 463.579 2.404 30 10 JEEE C=CCSCCn1c(Cc2ccncc2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1540918978 BAXRWYKNQCRFNM-KNQAVFIVSA-N 469.659 2.172 30 10 JEEE CCOCC(=O)N1C[C@H](C(=O)NC)C2(CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)C1 1548375338 JQYOHPCPEGBZKG-GOSISDBHSA-N 452.477 2.405 30 10 JEEE C#CCN(C(=O)Nc1nnn(Cc2ccc(C(F)(F)F)cc2)c1C)[C@H]1CCS(=O)(=O)C1 1562791531 GCVYBPWZKAEBQC-INIZCTEOSA-N 455.462 2.308 30 10 JEEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(c2nccc(OC)n2)CC1 1587803515 DKGBJNWLOUBEAF-UHFFFAOYSA-N 494.987 2.400 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(=O)N[C@@H](C)CC)c1 1588386213 NXZUJBCRPIIXLQ-PXNSSMCTSA-N 457.600 2.216 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)Nc2ccccn2)n1CC[S@](=O)CC 1588473053 KPYQUMQWWNZQDX-JGCGQSQUSA-N 454.531 2.473 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccccc1-n1ccnc1 1588575113 YQWXGBWRVVBMAY-UHFFFAOYSA-N 456.510 2.245 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2sccc2Br)CC1 1588732820 HADZJJJOTGJUDT-UHFFFAOYSA-N 451.394 2.044 30 10 JEEE C#CCC1(O)CCN(C(=O)c2nnn([C@@H]3CCN(C(=O)OC(C)(C)C)C3)c2C(F)F)CC1 1588765210 GCGCCLKMDSTAMZ-CQSZACIVSA-N 453.490 2.388 30 10 JEEE C=CCCCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1594646089 UKDRQKZYNBFXKB-XXBNENTESA-N 468.650 2.485 30 10 JEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2ccccc2C)C1 1594732952 JTAPAWLEUDKNLG-RTWAWAEBSA-N 475.615 2.464 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC(CN2CCOCC2)CC1 1595477114 RASAOYRLTLXNBR-LJQANCHMSA-N 486.592 2.408 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1595537508 RZZOPYDFEGPPRT-CVEARBPZSA-N 472.571 2.160 30 10 JEEE Cn1cnc(Cn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N2CC[C@](F)(C#N)C2)n1 1618450289 FMMYLSGVVDKGKV-NRFANRHFSA-N 459.530 2.011 30 10 JEEE C=CCOC[C@H](NC(=O)c1cc(S(=O)(=O)Nc2cccc(F)c2)ccc1F)C(=O)OC 1634063588 LUZZLWIFEPORIU-SFHVURJKSA-N 454.451 2.240 30 10 JEEE C=CC1(CC(=O)NN2C(=O)N[C@](C)(c3cccc(OC)c3)C2=O)CN(C(=O)OC(C)(C)C)C1 1634480968 PJPLNZUPJZQQOE-JOCHJYFZSA-N 458.515 2.307 30 10 JEEE C#CC1(O)CN(C(=O)[C@H](CCCCNC(=O)OCc2ccccc2)NC(=O)OC(C)(C)C)C1 1636818209 AMVODFOQBARHOP-IBGZPJMESA-N 459.543 2.183 30 10 JEEE C=CCn1c(COc2ccc(C)cc2)nnc1S[C@@H](C)C(=O)N[C@@H]1CCS(=O)(=O)C1 1651887377 PMDMALCVRKJGOE-JKSUJKDBSA-N 450.586 2.135 30 10 JEEE C=CC[C@@H](NC(=O)N1CCN([C@H]2CCCN(c3cc(C)nn3C)C2=O)CC1)c1ccncc1 1684648378 JDGLEUFJYGXOIC-RTWAWAEBSA-N 451.575 2.264 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCCn2ccnc21 1689835731 ROVPEYHWSKFIQB-HKUYNNGSSA-N 467.599 2.427 30 10 JEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1689913710 UGROEEUUMWKNRN-KRWDZBQOSA-N 456.572 2.221 30 10 JEEE C#CCCCn1c(CC(C)(C)C)nnc1N1CCN(c2cc(N3CCOCC3)ncn2)CC1 1689932299 XDMRCIDYUXJWRV-UHFFFAOYSA-N 452.607 2.233 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1Cc1ccc(-n2ccnc2C)nc1)[C@@H]1CCS(=O)(=O)C1 1689979961 JQBAJAJRJDPNBZ-YLJYHZDGSA-N 467.599 2.356 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC(C)(C)c1cccs1)[C@@H]1CCS(=O)(=O)C1 1689987988 HEAKMFYGNRPTAU-QGZVFWFLSA-N 458.613 2.345 30 10 JEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](c2cccs2)N(C)C)CC1 1690131960 BPDHPPBNOUNKDL-HXUWFJFHSA-N 452.632 2.259 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCC(C)CC2)CC1 1690152542 OXBUJWYSQLKVSS-UHFFFAOYSA-N 489.624 2.426 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C#N)cc2)n1CCCN(CC)S(C)(=O)=O 1690212168 ANDRHYXTKKQTDG-HSZRJFAPSA-N 470.599 2.392 30 10 JEEE C=C(C)COCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@H](C(=O)OC)C1 1690299484 SYIBDXRSEDUVBJ-KRWDZBQOSA-N 461.950 2.454 30 10 JEEE C=CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(S(C)(=O)=O)CC1 1690483958 ZUJBIOJANVGUTH-GOSISDBHSA-N 482.651 2.440 30 10 JEEE C=CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1690640826 ITNKVJGTXIMMRE-ROUUACIJSA-N 479.585 2.228 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1690673124 OTYXIBNASLUWKO-UHFFFAOYSA-N 456.554 2.073 30 10 JEEE C=CCNC(=O)Cn1c(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)nnc1[C@]1(OC(C)C)CCOC1 1690678048 JHMHFZCNLQZRKL-CZSZKKDXSA-N 464.570 2.364 30 10 JEEE C=CCSCCn1c(N2CCN(C(=O)NCC)CC2)nnc1[C@]1(OC(C)C)CCOC1 1690752487 JVVZVCRARWTJLN-NRFANRHFSA-N 452.625 2.089 30 10 JEEE CCN(C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2ccn(C)n2)CC1)S(C)(=O)=O 1695570722 GJPYERQUYZCSBT-UHFFFAOYSA-N 482.614 2.043 30 10 JEEE CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)N2CCC(C)CC2)CC1 1697010954 DOHHGUUOIQUQOZ-LJQANCHMSA-N 450.591 2.399 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H](C)Oc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1705563882 HKKPQJPLOLEIFZ-UYAOXDASSA-N 451.552 2.434 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H](C)CN1CCOCC1 1705575573 PBYOHUHRXUGXHD-KRWDZBQOSA-N 459.392 2.087 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNc1ncc(Cl)cc1Cl 1705628826 QHVDFTQLGGULAO-AWEZNQCLSA-N 487.413 2.080 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2CCCNC(=O)c2occc2C)CC1 1705634457 WSNFPFFZTQXAEF-UHFFFAOYSA-N 462.554 2.430 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC(C)(C)SC)CC1 1705640209 IURZKKBVTGPFRV-SFHVURJKSA-N 478.663 2.483 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CCC(OCC(N)=O)CC1 1705698142 PZQYHQZWMPCDFZ-PGRDOPGGSA-N 455.559 2.406 30 10 JEEE C=CCCOCCn1c(-c2noc3c2COCC3)nnc1N1CCC(NC(=O)C(C)C)CC1 1705829015 FHNMVNIOBTYTKJ-UHFFFAOYSA-N 458.563 2.340 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC=C(C)C1 1705930980 ASUPVKHJIJHVNZ-UHFFFAOYSA-N 478.644 2.304 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 1705935781 CXPZEGRACAQCGT-QZTJIDSGSA-N 483.635 2.266 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1705937496 WALUGRPWBLCSTH-UHFFFAOYSA-N 458.563 2.169 30 10 JEEE CC1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(CC#N)CC2)CCCC1 1706961397 FXJBEWNVUWRDOX-SFHVURJKSA-N 450.609 2.321 30 10 JEEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCO[C@@H]2C(C)C)C1 1710345561 FVMICKMATWWJOU-NJDAHSKKSA-N 472.615 2.396 30 10 JEEE COCC(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccoc2)CC1 1712113830 HUNXMQIYMPRMJR-UHFFFAOYSA-N 450.499 2.101 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1cnn(CCOC)c1 1722293446 MZBPQZBQWFVYOQ-QGZVFWFLSA-N 460.542 2.024 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C(F)F)c1 1722296679 UDULPLLXIDNSMQ-RHSMWYFYSA-N 453.515 2.055 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2CC[S@](=O)C(C)(C)C)c1 1722307711 VJPXXIWVNHVADU-UMSFTDKQSA-N 484.626 2.004 30 10 JEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCN(CC(F)(F)F)C1 1722386663 GNJSHSMVHKWATE-INIZCTEOSA-N 464.517 2.227 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCCC(=O)N(CC)CC)CC1 1722438301 VHHJMDXRWUWHEV-QFIPXVFZSA-N 466.586 2.194 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CCCCNC(=O)OC(C)(C)C)CC1 1722438921 HQEDSPISSCCGOQ-UHFFFAOYSA-N 453.591 2.324 30 10 JEEE C=C(Br)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1722489808 WTZGAQMJMNGRTJ-MRXNPFEDSA-N 477.338 2.389 30 10 JEEE C=C1CCN(c2nnc(C(=O)NC(CC)CC)n2CCCN2CCC[C@H]2C(=O)N(C)C)CC1 1722559376 UKULTKKABCJWRE-FQEVSTJZSA-N 459.639 2.296 30 10 JEEE C=CC1CCN(c2nnc(C(=O)N3CCCC3)n2CC2(NC(=O)OC(C)(C)C)COC2)CC1 1722572862 COIAFHDIPXCGJW-UHFFFAOYSA-N 460.579 2.210 30 10 JEEE C=CCCOCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@]2(CCOC2)C1 1722629591 MHLIMAMWBOUZTP-CYFREDJKSA-N 493.605 2.175 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1722725455 LXOQZKLDCAYMOX-KRWDZBQOSA-N 457.560 2.091 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@@H]1CCCN1CC)[C@H]1CCS(=O)(=O)C1 1740618406 HARVHEQPFMMDCB-PMACEKPBSA-N 457.600 2.065 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2Cc2ccc(OC)nc2)CC1 1740707626 JTVHAJGXBJQZNK-UHFFFAOYSA-N 478.528 2.414 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C[C@@H]1COc2ccccc2O1 1740750804 FRZNTNYRZMMFLH-IKVWTGGYSA-N 491.614 2.146 30 10 JEEE C=CCOc1ccc(Cn2c(-c3cccnc3)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)cc1 1740966721 PGESJXXVBPCNOZ-SFHVURJKSA-N 468.583 2.423 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1740994820 UIJNJVCNBUPAAI-PGRDOPGGSA-N 452.621 2.386 30 10 JEEE CCS(=O)(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1CCn1cc(Br)cn1 1747404598 FXDNGYWZQQYKSQ-UHFFFAOYSA-N 492.403 2.347 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCN1CCOC(C)(C)C1 1748638750 VOLRHAJNGRHTBL-KRWDZBQOSA-N 458.994 2.430 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2)n1CCS(=O)(=O)N1CCSCC1 1748654518 JIWJCJPENAWSTG-HNNXBMFYSA-N 454.021 2.435 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2CC2(N(C)C)CCOCC2)c1 1748697807 OAAMNKMCYXQUOR-OAQYLSRUSA-N 466.586 2.297 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3OCC[C@H]3COC)n2CC2=CCCOC2)c1 1748698058 PONDMQWJTLVSGR-REWPJTCUSA-N 465.554 2.405 30 10 JEEE C#CCCCCn1c(N2CCN(c3c(C#N)c(C)nn3C)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1748731253 YFUDDOTWYDLHNL-RUZDIDTESA-N 480.617 2.362 30 10 JEEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCC(C)C)[C@H]1CCS(=O)(=O)C1 1748809278 REUVLTFBPOSPKM-SFHVURJKSA-N 464.613 2.021 30 10 JEEE C#CCN(c1nnc(C2CCCC2)n1CC(=O)Nc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1748814850 KBLGBVPCNVDWNV-LJQANCHMSA-N 459.547 2.340 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2ccccc2F)n1C[C@@]1(N2CCOCC2)CCSC1 1748848748 QBEZLYCZYGWQKC-DEOSSOPVSA-N 453.587 2.289 30 10 JEEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC(S(=O)(=O)c2ccccc2)CC1 1749032989 WWIXAYMKKNYDLL-UHFFFAOYSA-N 470.624 2.488 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1749115597 TYBVPSYDMRQPRK-XLIONFOSSA-N 480.569 2.130 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1749118475 GQAANSJHGZLISU-MANSERQUSA-N 496.678 2.001 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccc2OC)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1749133947 RWEYISCKRYFUJI-JTAQYXEDSA-N 489.642 2.377 30 10 JEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccccc2OCC)CC1 1749227007 XAPRJXHWVJALCH-HXUWFJFHSA-N 482.585 2.183 30 10 JEEE C=C1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2C[C@@](C)(O)CCOC)CC1 1749288036 KONVBLWXKXFBEA-QFIPXVFZSA-N 462.620 2.491 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CN2CCCC2=O)n1C[C@]1(OC)CCOC1 1749536443 KUQGAQLKLAUGAU-XMMPIXPASA-N 450.543 2.270 30 10 JEEE COCCN(C)S(=O)(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2CC2)C1 1749781337 DREOYWNWCUNJSF-FQEVSTJZSA-N 458.588 2.104 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@]1(O)CCN(C)C1 1750075305 CUHZWNKIMPALQL-GAJHUEQPSA-N 461.611 2.055 30 10 JEEE CS(=O)(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCCO2)C1 1750196360 BYLINYUIYNPNRT-VQTJNVASSA-N 459.572 2.311 30 10 JEEE CSc1cccc(F)c1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CC#N 1750274628 FCCHXHCUWOVVFG-RHSMWYFYSA-N 482.607 2.259 30 10 JEEE C[C@H](CN1CCCC1)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C(N)=O)CC1 1751155442 ANLLAXLJRDJPTG-GOSISDBHSA-N 451.575 2.162 30 10 JEEE Cc1ccc2c(CCn3c([C@H]4CN(S(C)(=O)=O)CCO4)nnc3N(C)C[C@H](C)C#N)c[nH]c2c1 1751590761 CSVALFHOEHDZRB-DYESRHJHSA-N 485.614 2.239 30 10 JEEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1CCCNS(C)(=O)=O 1760123067 XTGVBOKNJSRIOJ-AWEZNQCLSA-N 470.393 2.017 30 10 JEEE C#CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H](C)CN1CCOCC1 1760171312 ACGQMPDMMKCSQH-VQTJNVASSA-N 460.623 2.430 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1Cc1ccc(C)cc1C)[C@@H]1CCS(=O)(=O)C1 1760183521 QMZYKSJXHNESPC-OAQYLSRUSA-N 471.627 2.488 30 10 JEEE C#CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1760277494 MJUJEWHZGGMOCW-IBGZPJMESA-N 468.583 2.087 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1760520245 HJXLKXRAWGXPCP-HNNXBMFYSA-N 470.965 2.475 30 10 JEEE C[C@H](CC#N)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCC(=O)NC(C)(C)C 1761362282 BEEYKFUVHYZBDW-QGZVFWFLSA-N 453.595 2.495 30 10 JEEE CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2ccnc2C)CC1 1763949115 FDLNUKGXHUYZNS-HXUWFJFHSA-N 489.628 2.449 30 10 JEEE CCCNC(=O)c1cccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@@](C)(C#N)C2)c1 1766200989 HCURVMHWLGSJIC-RDPSFJRHSA-N 484.626 2.498 30 10 JEEE CCS(=O)(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2ccn(C)n2)CC1 1768207172 CNPJLNHSRCKKRD-UHFFFAOYSA-N 483.598 2.108 30 10 JEEE CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(OC(C)(C)C)nc2)CCO1 1769239639 ADLDFCUYNGTUNS-HXUWFJFHSA-N 475.553 2.389 30 10 JEEE CO[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCCCCC2=O)C[C@H]1OC 1770298000 CETLKAUUNXSQNK-OYRHEFFESA-N 452.559 2.459 30 10 JEEE C[C@H]1CN(CCN(C)c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC(F)(F)F)C[C@@H](C)O1 1771504657 CTWXCKFKVPIZTL-IYBDPMFKSA-N 479.507 2.041 30 10 JEEE C=CCN(CC=C)C(=O)[C@H]1CCCN1C(=O)[C@@H]1CC(=O)N(c2ccc(C(=O)OCC)cc2)C1 1862178918 CFZQPVVPYBIVFT-TZIWHRDSSA-N 453.539 2.408 30 10 JEEE C=CCN(CC=C)C(=O)[C@@H](CCSC)NC(=O)[C@@H]1CC(=O)N(c2ccccc2C(=O)OC)C1 1862182782 ZLHSVAKDLJJBAO-IEBWSBKVSA-N 473.595 2.265 30 10 JEEE O=C(C1=C(O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1ccc(O)c(O)c1)c1ccc2c(c1)OCO2 1862627700 QWAQPJKQQFLBOC-JOCHJYFZSA-N 482.489 2.127 30 10 JEEE C=CCOc1ccccc1[C@@H]1C(C(=O)N2CCN(c3ncccn3)CC2)=C(N)Oc2c1c(C)nn2C 1865227364 IDRUANYQABLBFX-NRFANRHFSA-N 487.564 2.127 30 10 JEEE CN1CCN(C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)C2CCN([C@@H](C#N)c3cccs3)CC2)CC1 1868782450 IWHFFKHYFUPKNK-PKTZIBPZSA-N 495.649 2.232 30 10 JEEE CC(=O)Oc1ccc(C(=O)Nc2c(C#N)nnn2Cc2cc([N+](=O)[O-])cc3c2OCOC3)cc1 1870112092 OOBOALUNFVBIOQ-UHFFFAOYSA-N 464.394 2.150 30 10 JEEE CCOC(=O)COc1cn(CCOCCO)c(CSc2nc(C)c(C)c(C)c2C#N)cc1=O 1870194115 CXPJTBUVCGSBBR-UHFFFAOYSA-N 475.567 2.283 30 10 JEEE COCCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CN1CCN(c2ncccn2)CC1 1870348637 GDEYUFRELAXONF-UHFFFAOYSA-N 474.565 2.448 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCc2ccccc2OC)cn1CCOC 1870640775 YVPZDHGPAQKENL-UHFFFAOYSA-N 455.555 2.373 30 10 JEEE C=CCn1c(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc2c(N3CCC[C@@H](C)C3)ncnc21 1873595511 GNCGTCVBABNBAE-QGZVFWFLSA-N 482.610 2.474 30 10 JEEE C=CCn1c(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc2c(N(CC)CC)ncnc21 1873595934 YOMPACHSHHROFH-UHFFFAOYSA-N 456.572 2.083 30 10 JEEE COC(=O)CSc1nnc([C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)n1/N=C/c1ccc[nH]1 1874200736 JBYICHUEMQCRQG-YTRQYYDFSA-N 454.512 2.283 30 10 JEEE N#Cc1ccnc(OC[C@@H]2CCCN(C(=O)C[C@@H]3CSc4nc5c(c(=O)n43)CCC5)C2)c1 1891290555 ANPDMJIAWUEKOA-IAGOWNOFSA-N 451.552 2.353 30 10 JEEE C=C1C[C@@H]2[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3[C@@H](O)C[C@@]2(C)[C@@]2(C(=O)OC)C(=O)[C@@](C)(O)C(=O)[C@@]12C 2112709501 GPBILLRAZPFRLM-APYYFFPVSA-N 460.567 2.414 30 10 JEEE CC(C)(C)OC(=O)NCC1CN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2247881385 XBOITCMMAGJJDU-UHFFFAOYSA-N 458.411 2.193 30 10 JEEE C=C(CS(=O)(=O)N[C@@H]1COCCN(C(=O)OCc2ccccc2)C1)B1OC(C)(C)C(C)(C)O1 2247901550 LZILOFJSGUHHMS-IBGZPJMESA-N 480.392 2.131 30 10 JEEE CN(CCOCCNC(=O)OC(C)(C)C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2255633607 DQKHJSDBSDOELQ-UHFFFAOYSA-N 455.386 2.056 30 10 JEEE CC(C)(C)OC(=O)NC[C@H](O)CNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2255939531 BOGZTSUJNFWANR-CQSZACIVSA-N 454.760 2.255 30 10 JEEE CN(CCNS(=O)(=O)c1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1)C(=O)OC(C)(C)C 2255951203 AUKJHYOUAVJACC-UHFFFAOYSA-N 458.361 2.270 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)sc1CNC(=O)C[C@@H](O)CNC(=O)OC(C)(C)C 2256680567 YWEIVOIHRCQTCO-CQSZACIVSA-N 454.398 2.248 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@@](O)(CNC(=O)c2occc2B2OC(C)(C)C(C)(C)O2)C1 2267189605 COIXVYJTAGSHGI-JOCHJYFZSA-N 450.341 2.071 30 10 JEEE CC(C)(C)OC(=O)N[C@@]12C[C@H]1CN(S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1)C2 2267466894 IRZWSCWCUKWPLK-YCRPNKLZSA-N 484.449 2.476 30 10 JEEE CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)C(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2267485555 HJAIOXMXUWNWTP-QHCPKHFHSA-N 457.405 2.151 30 10 JEEE CC[C@@H](CN(CC)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)NC(=O)OC(C)(C)C 2267496546 BHQTUHYSDNZWAE-HNNXBMFYSA-N 450.389 2.485 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1CCCCN1C(=O)C(F)(F)F 2267527249 DOCFUWJCPWFVGD-LBPRGKRZSA-N 461.315 2.424 30 10 JEEE CC(C)(C)OC(=O)NC[C@H](CO)NC(=O)c1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1Cl 2267810291 HNPWPENESNTYIV-GFCCVEGCSA-N 472.750 2.394 30 10 JEEE C[C@@H](CCNC(=O)OC(C)(C)C)CCNC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2268706968 OVKPWDIYTNXCFV-OAHLLOKOSA-N 450.389 2.390 30 10 JEEE Cc1nn(C)c(C(=O)N[C@@H]2CSCCN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2281984556 GFNXJEHDBIQMAC-HNNXBMFYSA-N 480.440 2.110 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCOC[C@H]1NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2281997320 ZVTUIASKUQCMJU-JKSUJKDBSA-N 481.786 2.446 30 10 JEEE Cn1cc(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 2282035030 PLWNNSBOYFSMII-HRCADAONSA-N 460.384 2.237 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](CO)[C@H](NC(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)CC1 2282149572 DUOIRWMEMRYJGG-GOEBONIOSA-N 481.424 2.180 30 10 JEEE Cc1c(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282554631 GSNCMAUNCBNPBZ-GDBMZVCRSA-N 462.400 2.403 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 2282587867 BRCFPBWCDVGMSW-GOEBONIOSA-N 462.400 2.403 30 10 JEEE COC[C@@]1(NC(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CCN(C(=O)OC(C)(C)C)C1 2282718088 RWFJFIHABZEWOY-HSZRJFAPSA-N 461.368 2.137 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2cc(F)c(B3OC(C)(C)C(C)(C)O3)cc2Cl)[C@H](O)C1 2282984258 QKVVOPUCMFCVDB-DLBZAZTESA-N 484.761 2.488 30 10 JEEE CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2cc(B3OC(C)(C)C(C)(C)O3)ccc21 2283979179 KKOXRQVLDREVCF-SFHVURJKSA-N 459.396 2.330 30 10 JEEE CC(C)(C)OC(=O)NC[C@H](C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1)[C@H]1CCOC1 2284062521 GOIBLLBGKNMPIR-RDJZCZTQSA-N 461.368 2.497 30 10 JEEE Cc1c(C(=O)N2C[C@H]3C[C@@]3(CNC(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2288260967 MWFFULZHTYZKAZ-IQMFZBJNSA-N 460.384 2.015 30 10 JEEE COc1cc(C=Nn2c(CNC(C)=O)nnc2SCC(=O)NC2CCCCC2)ccc1O 2330769992 PSSDMLYZZUXKMM-UHFFFAOYSA-N 460.560 2.052 30 10 JEEE CN[C@@H](C#Cc1cnn(CCOC)c1)CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1 2340529275 BGQIOXWTVXENBX-QHCPKHFHSA-N 455.603 2.496 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](CN=c2cc(B3OC(C)(C)C(C)(C)O3)c(F)c[nH]2)C[C@H]1O 2345739649 SYNXEDZZGGGPHQ-IAOVAPTHSA-N 451.348 2.018 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2[C@@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)n1 2359267352 BPYYSJWKTVJYFN-HLLBOEOZSA-N 460.384 2.187 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCC[C@@H]2CN(C)C(=O)OC(C)(C)C)n1C 2362331135 FQWDBWIVMCWZRL-MRXNPFEDSA-N 462.400 2.499 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1CCN(C(=O)OC(C)(C)C)C1(C)C 2362351508 GLCXWWSXFYBSBO-HNNXBMFYSA-N 462.400 2.485 30 10 JEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCc2ccc(C(=O)N3CCCCC3)cc2)CC1 26530698 CLURFMHXXOUBDM-UHFFFAOYSA-N 495.605 2.400 30 10 JEEE N#Cc1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3c[nH]c(C(=O)N4CCCC4)c3)C2)c1 85650983 UVZUKEUDXRBSOV-QGZVFWFLSA-N 455.540 2.162 30 10 JEEE CSCC[C@]1(C(=O)O)N[C@H](c2ccccc2C#N)[C@@H]2C(=O)N(Cc3ccc([N+](=O)[O-])o3)C(=O)[C@H]21 247551792 WDATVRZSCHKSNA-FOUBCARRSA-N 484.490 2.082 30 10 JEEE COC(=O)c1ccccc1N1C(=O)C(Sc2nc(C)cc(C)c2C#N)=C(N2CCN(C)CC2)C1=O 526696426 ZWRXGJHKWAZMJT-UHFFFAOYSA-N 491.573 2.481 30 10 JEEE C#CCN(C(=O)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1)[C@@H]1CCS(=O)(=O)C1 729331498 NXHHRTUMJDLICO-CZIOWHBQSA-N 458.561 2.362 30 10 JEEE CCC(=NNc1nc(SCC(=O)Nc2nnc(SCC(N)=O)s2)n[nH]1)c1ccccc1 1084322252 KFCOWYBGDCBCBC-UHFFFAOYSA-N 477.601 2.191 30 10 JEEE C=CCN1C(=O)C(=O)N(CC(=O)NCC(C)(C)Sc2ccc(Br)cc2)C1=O 1126522827 IEUKZGCTDRBZNN-UHFFFAOYSA-N 454.346 2.413 30 10 JEEE C=CCNS(=O)(=O)c1ccc(C(=O)NCC(=O)N2CCC(Cc3ccccc3)CC2)cc1 1148725594 QELKHQSEGBZLRR-UHFFFAOYSA-N 455.580 2.362 30 10 JEEE C=CCN1CC[C@@H](N2CCC[C@@H](c3cc(N4CCN(C(=O)OC(C)(C)C)CC4)n[nH]3)C2)C1=O 1174798549 OSPIMBVMXXNYNV-UYAOXDASSA-N 458.607 2.433 30 10 JEEE COc1ccc(OC)c2c1CN(C(=O)N[C@H]1CCCN(c3ccc(C#N)cc3)C1=O)C[C@H]2O 1234023202 FMFQAOXVCWMTEL-RBUKOAKNSA-N 450.495 2.330 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCCc1cnn(C)n1 1286287244 ADJBGTOJGXLCLV-KRWDZBQOSA-N 459.558 2.284 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)NCCc1ccccc1 1286295773 LDJNBYYLQQMEPD-PZJWPPBQSA-N 496.612 2.403 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC(=O)NCC(F)F 1286299113 SFKLBUMGFRMCJJ-AWEZNQCLSA-N 454.522 2.232 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CC(=O)N(CCOC)C1 1286305819 PSTGRVIIBGTZFK-CADBVGFASA-N 474.606 2.002 30 10 JEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)Nc2ccc(C)cn2)CC1 1286349955 RGWNAHUXTSWCBA-IBGZPJMESA-N 470.599 2.152 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@@H]1CCCN1CCC)[C@H]1CCS(=O)(=O)C1 1286385489 XSYHYFUEKMTNBQ-SFTDATJTSA-N 471.627 2.455 30 10 JEEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1Cc1c(C)coc1C)[C@@H]1CCS(=O)(=O)C1 1286392821 CIHXGPPNBCCPOA-QGZVFWFLSA-N 487.607 2.154 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCN2CCOCC2(C)C)CC1 1286472741 DZCGCOPCOJABGP-UHFFFAOYSA-N 474.556 2.413 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCCCN2C[C@@H](C)C[C@H](C)C2)CC1 1286490140 MEDXTCWXPICBRH-SFTDATJTSA-N 480.661 2.403 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1nc(C(F)(F)F)cs1 1286518052 YHGQMDADAYWNMH-MEDUHNTESA-N 462.523 2.404 30 10 JEEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1286530752 RDYWJGBLXRPPAZ-UHFFFAOYSA-N 465.396 2.404 30 10 JEEE C=C(C)COCCn1c(-c2cc(Br)cn2C)nnc1N1CCC(C(N)=O)CC1 1286604315 IADROPXEDTYAPC-UHFFFAOYSA-N 451.369 2.341 30 10 JEEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC)(CC)C1 1286609178 YAINGWHPPWGDRP-SFHVURJKSA-N 455.625 2.220 30 10 JEEE C=CCCCn1c(N2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)nnc1[C@]1(OCC)CCOC1 1286704983 LYAUSYRPUWSXKJ-OFVILXPXSA-N 474.650 2.419 30 10 JEEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 1286770813 XLJOYAKFYRZPPW-HXUWFJFHSA-N 493.655 2.365 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCCN(CC(F)(F)F)CC1 1286782900 CKIBQOVGBSCREQ-UHFFFAOYSA-N 457.888 2.370 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1Cc1cccc(CN(C)C)c1 1288152329 AZVYCWLEPCMKNB-UHFFFAOYSA-N 487.612 2.119 30 10 JEEE C#CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(CC(=O)NCC)CC1 1300409425 SALATBDQOAGKAY-HXUWFJFHSA-N 487.649 2.064 30 10 JEEE C#CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1CCN/C(O)=C1\N=CC=CC1=O 1300439812 IDVNIBTWEROZTL-CZIZESTLSA-N 485.342 2.312 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCN(C)[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1300484068 QZHSKMDRAUFXDE-WBVHZDCISA-N 497.463 2.393 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@H](C)N(C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1300498417 KCUGEEJZTQMRKO-URXFXBBRSA-N 492.649 2.411 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1C[C@H](C)Oc1ccccc1OC)[C@@H]1CCS(=O)(=O)C1 1300501675 MYLSKENPGUYAII-PKOBYXMFSA-N 458.584 2.333 30 10 JEEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1CCc1ccncc1)[C@H]1CCS(=O)(=O)C1 1300503941 HHGPAOVKVKOBSK-FQEVSTJZSA-N 481.578 2.130 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@]2(OCC)CCOC2)n1C[C@]1(C)CN(C)C1=O 1300641542 BZQTXCHZTFDUNY-ZEQRLZLVSA-N 455.534 2.187 30 10 JEEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2Cc2cccc(Br)n2)CC1 1300703271 DXKSELVZNGOMDH-UHFFFAOYSA-N 452.360 2.225 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(OC)cc3)n2Cc2nnc(CC)s2)CC1 1300730579 BDQUWLDWLJGJEH-UHFFFAOYSA-N 495.609 2.294 30 10 JEEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1ccc(C)o1 1300761229 AMZHTRJGJJAZEF-IEBWSBKVSA-N 479.628 2.220 30 10 JEEE C=C(C)COCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@]2(CCOC2)C1 1300975550 WUUCURLVZCOFKO-QHCPKHFHSA-N 475.615 2.405 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c(-c2noc3c2COCC3)nnc1N1CC(=O)N(C)[C@H](C)C1)C(C)C 1301366628 GKTNHFZSMHPHKJ-UYAOXDASSA-N 483.617 2.371 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCCN(c2ncccc2F)CC1 1301491651 MPXBBVGHOPCJBC-UHFFFAOYSA-N 460.517 2.370 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@H](C(=O)OC)C1 1301501523 YSWXFMAEKMZVJS-QZTJIDSGSA-N 490.605 2.084 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(CC(F)(F)F)CC1 1301513933 CHPUJXZABKWLMP-UHFFFAOYSA-N 477.491 2.105 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCCS(C)(=O)=O)C1 1301566791 CBXLHJHRSLOQMR-FGTMMUONSA-N 483.635 2.265 30 10 JEEE C=CCN1CC[C@@H](N(C)S(=O)(=O)c2cc(C(=O)OCC)cc(C)c2Br)C1=O 1309446024 WFSUDNQXCKSTHM-CQSZACIVSA-N 459.362 2.342 30 10 JEEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2CCN(CCN(C)C)CC2)C[C@H](C)O1 1315930403 HKQPIUJARKUPBQ-RDPSFJRHSA-N 481.645 2.330 30 10 JEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2ccc(S(=O)(=O)C3CC3)cc2)c1 1351601254 KYOUEMRZFLNTKO-UHFFFAOYSA-N 452.532 2.110 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1ccc(OC)cc1OC)[C@@H]1CCS(=O)(=O)C1 1358960661 JCCZDEQUHLHIFE-LJQANCHMSA-N 467.551 2.032 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H](C)Cc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1358963010 AHUCNZLVVVVWGS-CEWLAPEOSA-N 472.611 2.296 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1Cc1nccs1)[C@@H]1CCS(=O)(=O)C1 1358967526 MCBWLZATJQAFNC-MRXNPFEDSA-N 461.544 2.128 30 10 JEEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC1([S@](C)=O)CC1 1358977956 APOFFYUBRPGUKO-YTTGMZPUSA-N 459.616 2.377 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCN1CCCO 1359014880 AKQYEWPYFGEBET-JOCHJYFZSA-N 468.577 2.140 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2nc(C(C)(C)C)cs2)CC1 1359028988 LLVPGTRVIKUCIC-UHFFFAOYSA-N 464.599 2.483 30 10 JEEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCC(=O)Nc2cccc(Cl)c2C)CC1 1359034641 YQEYXNPXXJGLQF-UHFFFAOYSA-N 466.977 2.424 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@]2(C)CCCO2)CC1 1359040204 LTIOMQWZJLLDLG-RUZDIDTESA-N 499.015 2.396 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCCC(=O)N(C)C)CC1 1359042842 WCMNEYKMLJGKSQ-UHFFFAOYSA-N 456.978 2.433 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](C)c2ccc(F)cc2)CC1 1359044295 BLMIXLGOZGVYPR-OXQOHEQNSA-N 452.534 2.138 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2Cc2ccc(OC(C)C)nc2)CC1 1359046007 AIBUZQYNBIGEJE-UHFFFAOYSA-N 473.581 2.460 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1359101853 SSVUYVZNMGZRAL-CTVDGRRTSA-N 458.651 2.448 30 10 JEEE C=CCCOCCn1c(-c2ccc(OC)cc2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1359224428 QOYPQCWRKUOCGM-XMMPIXPASA-N 468.558 2.361 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCNC(=O)C(C)(C)C 1359282233 VHMFHECSFNKKMU-SFHVURJKSA-N 494.637 2.388 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1359296005 UELGKEYDRGNUIY-KRWDZBQOSA-N 457.966 2.038 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1359296815 VNJBBXUMELSSAK-VWLOTQADSA-N 466.586 2.389 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCN(c2nc(CC)ns2)CC1 1359304709 HAAWFBDXUPAJIK-UHFFFAOYSA-N 486.577 2.039 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCN(Cc2cnc(C)s2)CC1 1359305154 UQDAXEZELONLFW-UHFFFAOYSA-N 485.589 2.386 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CCN(C(=O)OCC)CC1 1359305293 YSRDDZJVZWNXQT-UHFFFAOYSA-N 458.588 2.460 30 10 JEEE C=CCNC(=O)Cn1c(Nc2cnn([C@H]3CC3(F)F)c2)nnc1[C@]1(OC(C)C)CCOC1 1359305819 NSIARRIYIFNSEX-KXBFYZLASA-N 451.478 2.141 30 10 JEEE C[C@H]1CN(C(=O)OC(C)(C)C)CCN1CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 1459444071 GIXROHDULBGDJN-RXVVDRJESA-N 459.566 2.476 30 10 JEEE CN(C)C(=O)CN1[C@H]2CC[C@H]1CC(NC(=O)NC1CCC(Oc3ccc(C#N)cn3)CC1)C2 1478220000 FMQADIZNFRQLPK-WWFYLNGCSA-N 454.575 2.026 30 10 JEEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1507571995 UFAAUIJJRQVBIJ-ZRBLBEILSA-N 458.651 2.410 30 10 JEEE C#CCN(c1nnc(-c2c[nH]c3ccccc23)n1CCN(C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1507630746 GVEOWXGCOZBXAZ-GOSISDBHSA-N 454.600 2.393 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1CC(C)(C)CN(C)C)[C@H]1CCS(=O)(=O)C1 1507638444 FOUFJIWRTPNJGC-FQEVSTJZSA-N 473.643 2.380 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1CCCc1nnc(C)s1)[C@H]1CCS(=O)(=O)C1 1507641061 YUZMHMOASLPVJP-FQEVSTJZSA-N 484.651 2.483 30 10 JEEE C#CCN1CCN(c2nnc(-c3cnccn3)n2C[C@@H](NC(=O)OC(C)(C)C)C(C)C)CC1 1507723383 GOJSHENURUMXIX-LJQANCHMSA-N 454.579 2.040 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC1 1507724417 OUUYZOJSPIQABT-HSZRJFAPSA-N 498.075 2.220 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](c2ccsc2)N(C)C)CC1 1507737593 CLHKVYRFMGUPLB-HXUWFJFHSA-N 466.615 2.009 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(F)cc2F)CC1 1507741594 XPHWDNAYLSKWPT-RXVVDRJESA-N 473.524 2.294 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1C[C@H]1CN(Cc2ccccc2)CCO1 1507759924 QEFGZLHYROMGFK-PXDATVDWSA-N 450.587 2.309 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccn2C)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1507801946 ZGXAHQXJHLBJBB-PXNSSMCTSA-N 462.620 2.125 30 10 JEEE C=C(C)COCCn1c(Cc2ccccc2F)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1507846820 YVPNOMHLDLRYRJ-UHFFFAOYSA-N 470.593 2.345 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCCC1 1508008302 LYDSRSOKWDOTFJ-OAQYLSRUSA-N 492.621 2.039 30 10 JEEE C=CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1508051248 RCYDOKLBWGIFDY-GOSISDBHSA-N 454.575 2.281 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H](Oc2ccccn2)C1 1508073631 OHBJRLBTMGAVBV-OAHLLOKOSA-N 472.347 2.391 30 10 JEEE C#C[C@@H](NC(=O)c1ccc2c(c1)S(=O)(=O)N(CCOC)C2=O)c1ccc(Cl)cc1F 1525070470 TYQZFCZWSPXCPR-QGZVFWFLSA-N 450.875 2.374 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)N1CCN(CC)CC1 1539015653 QKOSMCJXPZQCSV-PWRODBHTSA-N 489.665 2.070 30 10 JEEE C#CCCCn1c(COc2ccccc2OCC)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1539140207 ROVMPOGQXGRZMN-RUZDIDTESA-N 480.569 2.484 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Br)cc3)n2CCc2n[nH]c(C)n2)CC1 1539469537 BNDPEDCRNJHDFM-UHFFFAOYSA-N 497.401 2.343 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccc(OC)cc2F)CC1 1539469645 SVNFCKPPIYZNFQ-VWLOTQADSA-N 485.560 2.092 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCCCC)CC1 1539470386 NQRPODXZJRLWJB-UHFFFAOYSA-N 486.642 2.351 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CC2(N(C)C)CCCCC2)CC1 1539484261 JFLKPQUDTVUQET-UHFFFAOYSA-N 463.630 2.494 30 10 JEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](COc2ccccc2)C1 1539488566 BBLAVUFUZPMTAY-HXUWFJFHSA-N 455.584 2.165 30 10 JEEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1 1539578969 GMRDPXIIRIJHAT-ACJLOTCBSA-N 488.383 2.034 30 10 JEEE C[C@H]1CN(CCCn2c(COc3ccc(C#N)cc3)nnc2N2CCOC[C@H]2C)C[C@@H](C)O1 1545100766 CHDZMGITABVPAQ-AQNXPRMDSA-N 454.575 2.453 30 10 JEEE CCO[C@]1(c2nnc(N3CCN(c4ccc(C#N)cn4)CC3)n2CC(C)(C)COC)CCOC1 1547914564 IAJIIWUJRSGREF-XMMPIXPASA-N 469.590 2.196 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CC1(O)CCS(=O)(=O)CC1 1587563148 YIVRUKCHBPSKAE-PKOBYXMFSA-N 460.600 2.433 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@@H](CC)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1588064786 PEUVGMYZIGXXHO-WOJBJXKFSA-N 476.672 2.135 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCN1CC=CCC1)[C@H]1CCS(=O)(=O)C1 1588074144 KJJHIDCZOVDQGO-PWRODBHTSA-N 475.659 2.085 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCC(=O)N(CC)CC 1588144059 RUQDERWFVRVUSP-FQEVSTJZSA-N 486.617 2.308 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2Cc2cnccc2OC)CC1 1588899367 OSJDQGGFXUZJPV-UHFFFAOYSA-N 490.564 2.380 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C2CC2)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 1589530601 WWKVZIBUTXWDPW-WOJBJXKFSA-N 467.636 2.014 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)COC)CC1 1589567096 AHLQYIISQNYDFY-JPYJTQIMSA-N 473.549 2.272 30 10 JEEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 1594784309 WNPCODFFSOAXFU-KRWDZBQOSA-N 459.551 2.191 30 10 JEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](CC)N1CCc2ccccc2C1 1594963832 XXXQZEUIVCCHAL-FGZHOGPDSA-N 488.658 2.070 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCN(c2ncccc2F)CC1 1595772962 KRMPXJUXSGUPEF-UHFFFAOYSA-N 460.535 2.308 30 10 JEEE CN(C)[C@@]1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(CC(N)=O)CC2)CCSC1 1617651722 GFBDNPPWZIYKDU-HSZRJFAPSA-N 453.616 2.346 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2cccnc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1619899645 DLMUZYOJIXTCNX-NRFANRHFSA-N 495.609 2.146 30 10 JEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H]1COc2cc(OC)ccc2C1 1624595304 GZIPGYFSXYNODJ-LPHOPBHVSA-N 457.552 2.412 30 10 JEEE C=CCN1CCC(NC(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)CC1 1629999710 YYPORLOIXFDOET-UHFFFAOYSA-N 453.566 2.392 30 10 JEEE COc1ccc(Cn2cc(C(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)cn2)cc1OC 1635701011 HTTAEHXSNUIHGH-OAQYLSRUSA-N 459.506 2.351 30 10 JEEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NC1CCN(C(=O)c2ccccc2F)CC1 1682022565 FYZHUGGZEITJKT-INIZCTEOSA-N 451.506 2.012 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1689981784 BBGISZXWHLIBSU-SFHVURJKSA-N 470.511 2.133 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H](CC(C)C)N(C)C)[C@H]1CCS(=O)(=O)C1 1689983582 DEGOYKPOKKERAC-PMACEKPBSA-N 487.626 2.277 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1ccc(NC(C)=O)nc1 1690101373 YOPHYTQOAXKZQE-UHFFFAOYSA-N 472.509 2.082 30 10 JEEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)N(C)C2CCCCC2)CC1 1690172403 DZPRRFXZKRYAEX-NRFANRHFSA-N 488.702 2.452 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)Nc1ccccc1CC 1690175034 ORVSZHKBFSSZCF-SFHVURJKSA-N 475.640 2.184 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CC(=O)N(CCOC)C1 1690196595 QKTZYDVHHCMANW-GAJHUEQPSA-N 452.515 2.340 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1cnc2c(Cl)cnn2c1 1690256872 YMVDNSZUQVUJHT-CQSZACIVSA-N 466.999 2.230 30 10 JEEE C=C(C)COCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1690302856 MTYQCCWLMIXJRH-XLIONFOSSA-N 457.531 2.490 30 10 JEEE C=CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(CC(=O)N(C)C)CC1 1690474251 YDZVGYFBLVDMNI-UHFFFAOYSA-N 450.385 2.212 30 10 JEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1690509218 ZWRYHRWFUIHYPE-KURKYZTESA-N 483.635 2.122 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N1CCN(CC)CC1 1690565606 NSXZJVSCSAPOJL-FYYLOGMGSA-N 486.686 2.399 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2Cc2ccc(C(N)=O)nc2)C1 1690685283 ZNMDDCFGOZZGJS-LJQANCHMSA-N 495.971 2.185 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H](C2CC2)C1 1690717999 XUGYSEBJFYLMPW-LJQANCHMSA-N 493.655 2.033 30 10 JEEE CC(=O)NC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2C[C@H](C)O[C@@H](C)C2)CCO1 1690965466 DGWYRBOTEHSQLL-IUKKYPGJSA-N 482.585 2.274 30 10 JEEE C[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)CC1(C)C 1693727113 HIODWJOOUZEZJC-SFHVURJKSA-N 452.559 2.460 30 10 JEEE C#CCCCn1c(Cc2csc(C)n2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1705536171 JTBHMGMXZAOQLN-JOCHJYFZSA-N 471.675 2.278 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1ccc(F)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1705565396 ICKAEPZZPVSYIS-DLBZAZTESA-N 450.511 2.125 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)cc1O[C@H]1CCOC1 1705598147 CFDYXWHGHNTVQW-VXKWHMMOSA-N 482.606 2.168 30 10 JEEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCC2(C1)OCCO2 1705601383 HNLUHFIUFJKGHD-GOSISDBHSA-N 453.568 2.276 30 10 JEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@@H](c1ccccc1)N(C)C 1705626909 NETOMLNQWPLWNO-FQEVSTJZSA-N 450.543 2.395 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C)cc2)n1 1705632086 VKVLCVWRMADAHO-OAQYLSRUSA-N 482.610 2.020 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccc(C(C)(C)O)cc2)CC1 1705632411 PFKMSUTUHWMTED-UHFFFAOYSA-N 452.603 2.227 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2CCc2noc(CC)n2)CC1 1705650600 VMUWJYSEPVIJEH-UHFFFAOYSA-N 461.570 2.331 30 10 JEEE C=C(Cl)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1705746644 WUAAWBWUPRRZRZ-UHFFFAOYSA-N 496.797 2.059 30 10 JEEE C=CCN(C)c1nnc(-c2noc3c2COCC3)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1705841382 ZMDZBWUENCPMCW-MRXNPFEDSA-N 456.469 2.281 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1705895383 DYUFEKSZQGTZBY-OAHLLOKOSA-N 492.422 2.041 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 1705906271 YMLZNOMRVKWKSN-UHFFFAOYSA-N 455.563 2.060 30 10 JEEE CC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCS(=O)(=O)CC2)CCS1 1709327079 AEDISFPGHRETBS-GOSISDBHSA-N 461.613 2.088 30 10 JEEE CCN(C(=O)OC(C)(C)C)[C@H](C)Cn1c(CN2CCCC2=O)nnc1N1CC[C@@](F)(C#N)C1 1709897166 DCAMHSRUDAKXDP-OPAMFIHVSA-N 463.558 2.488 30 10 JEEE CCS(=O)(=O)N(C)CCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@@](C)(C#N)C1 1710887223 CFMFAOWRXQYSDJ-QHCPKHFHSA-N 484.630 2.318 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H](c1ccc(F)cc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1722364272 FKBAZFRRSITMKC-PKTZIBPZSA-N 496.612 2.333 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1C[C@H]1C 1722419975 FBYHDABBRRNGPR-KPFFTGBYSA-N 461.563 2.046 30 10 JEEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1722455866 QZSSRPVCAHTNTA-OAQYLSRUSA-N 461.595 2.055 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(O)(Cc2ccc(F)cc2)CC1 1722459239 GHLKONRDMFYPDZ-LJQANCHMSA-N 492.642 2.260 30 10 JEEE C=C(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 1722521272 KBXBOXZCJLBHJA-HXUWFJFHSA-N 458.588 2.270 30 10 JEEE C=CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1722610142 MCCOTCHRCXUPML-UHFFFAOYSA-N 490.406 2.273 30 10 JEEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCn2ccnc2C1 1722632213 LSAQUPJBIDAULV-KRWDZBQOSA-N 455.588 2.277 30 10 JEEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CCCN(C(C)=O)C1 1722633322 SHUBQLUAVFUNTK-GOSISDBHSA-N 459.620 2.427 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C2CC2)C(=O)C1 1722692102 XBEPAJGNDMQSMT-GOSISDBHSA-N 452.559 2.148 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1722731437 KUWVBZDQSSJUGD-HXUWFJFHSA-N 496.655 2.088 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC[C@@H](C(N)=O)C1 1722752203 YVCFBSXMFCBZKI-MRXNPFEDSA-N 496.431 2.319 30 10 JEEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(C(C)(C)C)n1CC1(S(C)(=O)=O)CCCC1 1726641259 CLNPCLHXULBAFY-KRWDZBQOSA-N 486.646 2.310 30 10 JEEE COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(OC)nc2OC)CC1 1729790985 CIOOCUGPHILKTC-UHFFFAOYSA-N 463.498 2.166 30 10 JEEE N#C[C@H]1CN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@H]2COCCO2)CCO1 1731186250 BGFDHWOVNOODGP-GJZGRUSLSA-N 454.314 2.308 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@@H]1CSCCS1)[C@@H]1CCS(=O)(=O)C1 1740619251 MWKQOODIPAEOTP-HZPDHXFCSA-N 452.627 2.322 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@](C)(O)c1cc(C)oc1C)[C@@H]1CCS(=O)(=O)C1 1740620185 CDHJVBNLWOTMSD-VGSWGCGISA-N 457.556 2.017 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1CC1(COC)CCC1)[C@@H]1CCS(=O)(=O)C1 1740624807 KLFSTBHLLFDTLJ-LJQANCHMSA-N 460.575 2.451 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](c2ccccc2)N2CCCC2)CC1 1740701192 XQRRMHAECXOLSA-QHCPKHFHSA-N 491.640 2.219 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCCN(c2nc(C)ns2)CC1 1740750060 LASZLXHHXAWINM-MSOLQXFVSA-N 474.635 2.274 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1740774051 KHNFVINSMHYUPH-PXNSSMCTSA-N 461.588 2.475 30 10 JEEE C=CCCOCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC(=O)N(C)C[C@H]1C 1740887345 CDKWWXQXMFFRIS-MRXNPFEDSA-N 460.966 2.121 30 10 JEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CC[C@@](O)(c2ccccc2F)C1 1740961405 BCWIRDOYGWVMMS-QFIPXVFZSA-N 456.547 2.173 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC(S(C)(=O)=O)CC1 1740964153 JHZFPDHOQJTDJL-UHFFFAOYSA-N 489.642 2.470 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CC(C)C 1740992808 UEHPAIPVBDTVAS-KRWDZBQOSA-N 471.624 2.280 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1CC(O)(CC)CC)[C@@H]1CCS(=O)(=O)C1 1748808507 DRDWVGSTMUNEKT-GOSISDBHSA-N 476.599 2.140 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Br)n1C[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1748809206 KQHHKIPCXJYKMS-JKSUJKDBSA-N 479.400 2.371 30 10 JEEE C#CCN(c1nnc(-c2ccccc2F)n1CC1([S@@](C)=O)CCC1)[C@H]1CCS(=O)(=O)C1 1748809841 PWJVIQKRXCTTRX-BEIWTESXSA-N 464.588 2.012 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)NC(CC)CC)n1CCn1cc(Br)cn1 1748875724 WGPWRMGPQKJVTN-UHFFFAOYSA-N 460.380 2.319 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1749141330 ANCSDLDUOBNESM-HVTWWXFQSA-N 463.579 2.260 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N(C)[C@H](C)CS(=O)(=O)CC 1749664017 DKEHHLWMMQVYPU-CQSZACIVSA-N 484.420 2.269 30 10 JEEE CC(=O)NC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCc2csc(C)n2)CCO1 1750021284 BAYRTIHBDOGXHS-OAQYLSRUSA-N 481.582 2.078 30 10 JEEE CC(C)N(CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@H]2C1)C(C)C 1750896055 CNWFZBZSKAMFET-HXUWFJFHSA-N 467.574 2.488 30 10 JEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1Cc1conc1COC)[C@H]1CCS(=O)(=O)C1 1760185674 BBQOWGGAFKXTFC-IBGZPJMESA-N 489.985 2.332 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1CC[C@@](C)(O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1760189086 NHALHUMRGUFLPP-XUZZJYLKSA-N 465.579 2.265 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](c1cccs1)N1CCCC1 1760209430 COEARUDIXNIWHH-OALUTQOASA-N 474.656 2.250 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCC(=O)NC(C)C 1760216108 AICDVNZRWKPCKT-UHFFFAOYSA-N 459.554 2.053 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC2(N(C)C)CCOCC2)CC1 1760257379 VFHMTVLHGBMJLT-HXUWFJFHSA-N 470.593 2.423 30 10 JEEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1760276122 TUBKIEKBKPIIPZ-UHFFFAOYSA-N 458.613 2.043 30 10 JEEE C#CCSCCn1c(-c2ccccc2F)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1760277691 FAWPQRNNCRETDQ-UHFFFAOYSA-N 456.591 2.195 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCO[C@H](C(F)(F)F)C1 1760523464 YWZVLAPOYSCRIC-KRWDZBQOSA-N 461.448 2.201 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@H]1CSCCS1 1761465753 FHUNHHNGYKNQMQ-YOEHRIQHSA-N 466.658 2.245 30 10 JEEE CNC(=O)CCN(C)c1nnc(COc2ccc(C#N)cc2)n1CC1CCN(C2CC2)CC1 1767783584 CROJUNCHHVJEMD-UHFFFAOYSA-N 451.575 2.175 30 10 JEEE COC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(C(=O)N(C)C)CCCC2)CC1 1767960691 BXPVLCXBOCAJQM-UHFFFAOYSA-N 495.584 2.266 30 10 JEEE CC(=O)NS(=O)(=O)c1ccc(NC(=O)C(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1 1860727554 UAMLMXGIZUNAFH-YCRREMRBSA-N 451.844 2.294 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1OC 1862575138 SCDCMQDYBHPDEX-FQEVSTJZSA-N 469.450 2.326 30 10 JEEE COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCO)cc(Cl)c1O 1862612315 GYIOCJNOUIVOCY-SFHVURJKSA-N 461.854 2.396 30 10 JEEE CCN(CC)CCNC(=O)c1ccc(-n2nnc(C#N)c2NC(=O)Cc2ccccc2[N+](=O)[O-])cc1 1870154872 LLAFDECJJJYVSG-UHFFFAOYSA-N 490.524 2.300 30 10 JEEE C=CCn1cc(OCC(=O)N(C)Cc2ccccc2)c(=O)cc1CN(CCOC)CCOC 1870507976 GNNVOTIDDJQBCD-UHFFFAOYSA-N 457.571 2.167 30 10 JEEE C=CCN=c1nc(Nc2ccc(N3CCCC3)cc2)[nH]c(N2CCN(c3ncccn3)CC2)n1 1871676204 NWCRBABKTPKVGF-UHFFFAOYSA-N 458.574 2.352 30 10 JEEE N#Cc1c(NC(=O)COc2nonc2CC(=O)NCc2ccc(O)cc2)sc2c1CCC2 1872649641 HVJSNCZIZCCOBL-UHFFFAOYSA-N 453.480 2.073 30 10 JEEE C=CCn1c(C(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)cc2c(N3CCC(O)CC3)ncnc21 1873672037 MKULWJCHXMLHDG-UHFFFAOYSA-N 460.494 2.057 30 10 JEEE COc1ccc(Cc2nnc(SCC(N)=O)n2/N=C/c2ccc(C(=O)O)cc2)cc1OC 1874237984 LXAGQYXUMSKJJT-FOKLQQMPSA-N 455.496 2.044 30 10 JEEE COc1cc(OC)c(OC)cc1/C=N/n1c(SCCO)nnc1[C@H]1CC(=O)N(C(C)(C)C)C1 1874279526 CIUYZJSIGQIAST-GIEPYWIESA-N 477.587 2.385 30 10 JEEE C=CCN(CC=C)C(=O)c1cc2c(NCCCN3CCOCC3)ncnc2n1CCCOC 1875221985 OOSMLKGMLWDUFE-UHFFFAOYSA-N 456.591 2.416 30 10 JEEE CN1CCN(CC#CCOC2CCN(C(=O)Cc3ccc(Br)cc3F)CC2)CC1 1889407207 UUZSRFNCYQATHM-UHFFFAOYSA-N 466.395 2.389 30 10 JEEE CC1(C)OB([C@H]2[C@@H]3CN(S(=O)(=O)C[C@@](C)(F)CN4C(=O)c5ccccc5C4=O)C[C@@H]32)OC1(C)C 2046025334 IMHLKAUZEQGVMS-JFNLIGNMSA-N 492.378 2.365 30 10 JEEE N#Cc1ccc(C(=O)Nc2c(I)ncnc2I)cn1 2121026292 KHCZCGIWHJOYEK-UHFFFAOYSA-N 477.003 2.205 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1COC[C@@H]1NC(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2255534793 LXFIGHBDTSBMBE-CJNGLKHVSA-N 452.382 2.317 30 10 JEEE CC(C)(C)OC(=O)N[C@]12C[C@H]1CN(S(=O)(=O)c1ccc(B3OC(C)(C)C(C)(C)O3)s1)C2 2255751180 WLDWJEFTRPIZAI-RBZFPXEDSA-N 470.422 2.335 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H](O)C[C@H]2CNC(=O)OC(C)(C)C)s1 2267110726 ICXPJQGFJZBQQR-LSDHHAIUSA-N 466.409 2.456 30 10 JEEE CCc1nn(C)c(C(=O)N[C@@H](C)[C@@H](C)NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267191530 DQYZKLXJKUGWPD-UONOGXRCSA-N 450.389 2.313 30 10 JEEE COCC1(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)oc2C)CN(C(=O)OC(C)(C)C)C1 2267508241 BMMBLCBSOOVQBP-UHFFFAOYSA-N 450.341 2.253 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NC2(CCOCc3ccccc3)CC2)n1 2267709938 KOBHZVJQNCZHLU-UHFFFAOYSA-N 461.393 2.137 30 10 JEEE CN(Cc1csc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)CC1(O)CN(C(=O)OC(C)(C)C)C1 2268636052 YMKLOHZOJLQYHD-UHFFFAOYSA-N 466.409 2.378 30 10 JEEE COC[C@@H](ONC(=O)OC(C)(C)C)C(=O)N(C)Cc1cc(B2OC(C)(C)C(C)(C)O2)cs1 2268638462 JCINRRUKMUVOHN-MRXNPFEDSA-N 470.397 2.477 30 10 JEEE Cc1nc(NC(=O)[C@H]2C[C@@H](F)CN2C(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2268641023 KYSVUIMPOKJASF-UKRRQHHQSA-N 450.320 2.370 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)sc1CNC(=O)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 2268716934 WEICANCHPZFQIJ-JOCHJYFZSA-N 466.409 2.344 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)O)N(C(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)C1 2282023222 LHQBPTHOZFOAHB-GXTWGEPZSA-N 481.380 2.025 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)C1(C)C 2282048781 QFRYQLIFAPCCBP-GDBMZVCRSA-N 462.400 2.389 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCCN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282179446 MUBDDSMPPPAHQM-GJZGRUSLSA-N 463.388 2.022 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1COCCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2282411759 KLBBTEMDWAJLHX-INIZCTEOSA-N 464.343 2.491 30 10 JEEE Cn1cc(C(=O)NC2C[C@@H]3CC[C@H](C2)N3C(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2282548814 ASWLETXLOLKZRM-MQVJKMGUSA-N 460.384 2.380 30 10 JEEE Cc1ccc(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 2282553553 YKLVLXAAAAUEJV-TZMCWYRMSA-N 455.286 2.218 30 10 JEEE Cn1ncc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)CC2(C)C)c1B1OC(C)(C)C(C)(C)O1 2282570098 ZSQQZVYWBLFKAS-MRXNPFEDSA-N 462.400 2.485 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 2282582168 SIQFWAIQWMSKFV-HOTGVXAUSA-N 462.400 2.451 30 10 JEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)[C@@H]1NC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2282587076 HZSKJEBZLGFPPI-QLPKVWCKSA-N 462.400 2.341 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCOC[C@@H]1NC(=O)OCc1ccccc1 2282589615 PSTYGMHZTDPMMI-PMACEKPBSA-N 498.389 2.016 30 10 JEEE Cc1nsc(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 2282590970 JLSWRKBPVOKVRW-ZNMIVQPWSA-N 481.424 2.145 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@H]2C[C@H]1CN(C(=O)c1ncc(B3OC(C)(C)C(C)(C)O3)cn1)C2 2282610760 BDSVBKLJNRZFOG-VYDXJSESSA-N 458.368 2.151 30 10 JEEE CN1CCN(C(=O)c2scc(B3OC(C)(C)C(C)(C)O3)c2Cl)[C@H](CNC(=O)C(F)(F)F)C1 2282638019 HIBWCCAOLLIDEU-LLVKDONJSA-N 495.760 2.135 30 10 JEEE CC(C)(C)OC(=O)NC1[C@H]2CC[C@H]1CN(C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)C2 2282676452 LBBNMJAGMJRAOJ-GJZGRUSLSA-N 458.368 2.151 30 10 JEEE COCC[C@@H](CNS(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1)NC(=O)OC(C)(C)C 2282828516 PLZCIKNYFYHEOT-KRWDZBQOSA-N 484.424 2.194 30 10 JEEE CC(C)(C)OC(=O)NC[C@H](NS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1)C(F)(F)F 2282868177 JXQLWDSJABMEFP-AWEZNQCLSA-N 495.329 2.115 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1Cc2cccc(B3OC(C)(C)C(C)(C)O3)c2C1 2283976053 YAAGEXZEHIZMNV-QFBILLFUSA-N 458.364 2.198 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2COC[C@]2(C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2284020449 MBOVRDHVTKNNKM-NPMXOYFQSA-N 459.352 2.203 30 10 JEEE CC(C)(C)OC(=O)NC[C@H](C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1)[C@@H]1CCOC1 2284062523 GOIBLLBGKNMPIR-WBVHZDCISA-N 461.368 2.497 30 10 JEEE COc1ccc([C@H]2C(=C(O)c3ccccc3)C(=O)C(=O)N2CCN2CCOCC2)c(OC)c1 2296133129 ZVFAYSNKVOUUCM-QFIPXVFZSA-N 452.507 2.458 30 10 JEEE Cc1scc(C(=O)NC2(C(=O)O)CN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2343494340 JLIPCFXCSBVULT-UHFFFAOYSA-N 466.365 2.160 30 10 JEEE Cn1cc(C(=O)NC[C@H]2C[C@@H]3CC[C@H]2N3C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2359278287 IXSVMYASSPPWRV-HLLBOEOZSA-N 460.384 2.237 30 10 JEEE C[C@@H]1C[C@@H](CNC(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)CCN1C(=O)OC(C)(C)C 2362357308 YEFQBMSOZAZEOM-CVEARBPZSA-N 462.400 2.485 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CN(C(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)[C@@]2(CCOC2)C1 2362579474 ZQERJNZCONWBJI-PEBXRYMYSA-N 479.408 2.341 30 10 JEEE C=CCN1C(=O)/C(=c2/sc3nc(-c4cc(OC)c(OC)c(OC)c4)nn3c2=O)c2ccccc21 1105810 QVMAUBXCWAUPCL-CZIZESTLSA-N 476.514 2.294 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)Nc3sc4c(c3C(=O)OCC)CCS(=O)(=O)C4)cc2C1=O 14709389 VJPWALONSBFROZ-UHFFFAOYSA-N 488.543 2.430 30 10 JEEE CNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC(F)(F)F)c(=O)n1Cc1ccccc1 613076341 QXBLXNTZNOGANK-UHFFFAOYSA-N 459.449 2.106 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1NS(=O)(=O)CCN1C(=O)c2ccccc2C1=O 704372883 PTYLAOICCSIHBC-UHFFFAOYSA-N 470.356 2.332 30 10 JEEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCCN(Cc2cscn2)CC1 727404472 GIECTJQATPZJDK-LJQANCHMSA-N 475.640 2.475 30 10 JEEE C#CC[C@@H](CO)NC(=O)[C@@H](CCC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 757473369 FDOZVXMZKRYVPJ-KSFYIVLOSA-N 450.491 2.259 30 10 JEEE COc1ccc(C=NNc2nnc(SCC(=O)c3ccc(OC)c(OC)c3)n2N)cc1OC 1084305980 ZYFJPIFENSQBLS-UHFFFAOYSA-N 472.527 2.447 30 10 JEEE C=CCn1nc(C)c(C=NNc2nnc(SCC(=O)Nc3ccc(OC)c(OC)c3)n2N)c1C 1084447707 CLMNIPIINQDYLO-UHFFFAOYSA-N 485.574 2.185 30 10 JEEE N#Cc1ccc(N2CCC[C@H](NS(=O)(=O)[C@@H]3CCCN(C(=O)C4CCCC4)C3)C2=O)cc1 1189125181 ACBDCHCTCJDUJW-RTWAWAEBSA-N 458.584 2.154 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1Cc1ccnc(C(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 1286386987 LQISUSMKXMDRRN-MRXNPFEDSA-N 478.500 2.372 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1Cc1ncnn1C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1286387475 RJTIQYIBTACARJ-SFHVURJKSA-N 467.599 2.275 30 10 JEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H](c1ccccc1)N1CCOCC1 1286416667 UMROHTXVISFHKA-QFIPXVFZSA-N 488.617 2.416 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1286458467 VJGIIIPMEWDBFD-RSTPCFTMSA-N 478.528 2.477 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCN(CC(=O)NCC)CC1 1286564327 GBFOTQYWPGYNHC-YADARESESA-N 486.592 2.236 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H]1CN(CC)c2ccccc2O1 1286608902 VGHMQUAJCRBRAK-WOJBJXKFSA-N 489.642 2.497 30 10 JEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2csc(C)n2)CC1 1286832684 XLWZKZXCSLHRKD-KRWDZBQOSA-N 482.701 2.187 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1CCc1ccccn1)[C@@H]1CCS(=O)(=O)C1 1300483869 ONECRMMJQCIYKY-HXUWFJFHSA-N 481.578 2.227 30 10 JEEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@H]1CCN(CCC)C1)[C@@H]1CCS(=O)(=O)C1 1300487068 FNSCTVCXFSCBTK-RBUKOAKNSA-N 459.591 2.443 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1CCCN(C)CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1300500749 CTTTVRVKXKJGJK-QGZVFWFLSA-N 489.589 2.441 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)c1nc(-c2ccccc2)no1 1300539011 WOMKGSWJNIRBAG-IEBWSBKVSA-N 464.551 2.107 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCCCSC)CC1 1300688112 ASRXPCRUYFPCFM-UHFFFAOYSA-N 476.672 2.094 30 10 JEEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H](N2CCOCC2)C(F)(F)F)CC1 1300701201 JYQZTBFLZXMHKA-FQEVSTJZSA-N 498.500 2.165 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H](c2ccc(F)cc2)N(C)C)CC1 1300725056 FMNPSXJUXIYQFV-IFMALSPDSA-N 468.577 2.190 30 10 JEEE C#CCSCCn1c(-c2ccc(Br)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1300742531 MERLYTPLVRLAGS-GOSISDBHSA-N 478.416 2.415 30 10 JEEE COCC(C)(C)CCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1300924997 FZWMOOQCBQUVQJ-LJQANCHMSA-N 470.622 2.475 30 10 JEEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cc2ccccc2[nH]1 1300990213 IWORYIAYODYQLJ-OAQYLSRUSA-N 488.614 2.321 30 10 JEEE C=C(Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)NCCCOC)CC1)c1ccccc1 1301008153 XHSMPUBZXYXPBA-NRFANRHFSA-N 466.586 2.312 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1[C@H](C)CCN1C(=O)OC(C)(C)C 1301424824 OVGRZVPMXPTLKP-GUDVDZBRSA-N 497.662 2.465 30 10 JEEE Cc1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CCNC(=O)C(C)C)n(C)n1 1304729604 BIRMWNWYOYMLMM-UHFFFAOYSA-N 450.547 2.027 30 10 JEEE CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@](C)(O)c2cccs2)CC1 1313989999 FIZUWXYPTACOND-DEOSSOPVSA-N 479.610 2.044 30 10 JEEE COCCN(CCC#N)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H]1COCCO1 1316101187 DSLFFDHCJZJRPF-MSOLQXFVSA-N 464.567 2.132 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCSc1ccccc1 1358891006 YGVOSGFYOCYJAL-MJGOQNOKSA-N 463.629 2.251 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2CC(=O)NCc2ccco2)c1 1358901427 KENDNCCTHKQWSX-UHFFFAOYSA-N 469.505 2.306 30 10 JEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCN1CCCO[C@@H](C)C1 1358949535 FZNUPMHBBHGGRL-VQTJNVASSA-N 476.622 2.157 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccc(OCCN(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 1358956016 YNBSCALYAPZJEI-HXUWFJFHSA-N 473.643 2.191 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Br)n1C[C@](C)(O)C1CC1)[C@H]1CCS(=O)(=O)C1 1358959661 NJHFHAFBHAZSGY-KKSFZXQISA-N 493.427 2.495 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C2CC2)n1 1359028476 UBFYDKXHHQQVTF-FQEVSTJZSA-N 485.589 2.404 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCCC2CCOCC2)CC1 1359042117 SADCJLVIMVWBBC-SANMLTNESA-N 487.645 2.491 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1N1CCOCC1 1359107116 CRDKCUYBNKFQPV-GOSISDBHSA-N 462.620 2.176 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)C(C)C)CC1 1359309402 QNCVQBFFQIOINK-UHFFFAOYSA-N 454.575 2.334 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCN(CC(C)C)C2)C1 1359322456 WBFXOHTZJJMUBO-NJDAHSKKSA-N 465.664 2.330 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1359327556 FDUHNUPYWKKIQL-LSDHHAIUSA-N 484.420 2.499 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@]2(CCOC2)C1 1359329344 GKXBEZZNZQLUAQ-JOCHJYFZSA-N 462.572 2.180 30 10 JEEE CN(C[C@]1(O)CCc2ccccc21)C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1469320377 FWGZCJIFVBKRQP-XMMPIXPASA-N 453.564 2.251 30 10 JEEE N#Cc1c(F)cccc1OCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 1473007262 AEXNFQNWURLZFW-UHFFFAOYSA-N 453.879 2.389 30 10 JEEE CC(=O)N1CCC(C)(C)c2cc(S(=O)(=O)N3CCN(c4cc(C#N)ccn4)CC3)ccc21 1474811870 CGKJWGIXVJTHTK-UHFFFAOYSA-N 453.568 2.498 30 10 JEEE CCNC(=O)C1(Cn2c(-c3ccc(C#N)cc3)nnc2N(CC)[C@H]2CCS(=O)(=O)C2)CCC1 1502397546 DKZVRQQFZROUIN-IBGZPJMESA-N 470.599 2.137 30 10 JEEE CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@](C)(O)c2cc(C)oc2C)CC1 1502426542 DLUKYEZPVLCWKK-AREMUKBSSA-N 491.596 2.192 30 10 JEEE COc1cc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC(CC#N)CC2)cc(OC)c1OC 1504088975 AVKBVUJQTMFEED-KRWDZBQOSA-N 454.531 2.433 30 10 JEEE C#CCN(c1nnc(COc2ccccc2CC)n1Cc1cc(C)on1)[C@@H]1CCS(=O)(=O)C1 1507639305 KEAJXANFOCOGEY-HXUWFJFHSA-N 469.567 2.391 30 10 JEEE C#CCN1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CCCOCC(C)C)CC1 1507721148 ZFMVIDPEYCCKAP-UHFFFAOYSA-N 487.674 2.365 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](CC)c3ccccc3)n2C[C@H]2COCCO2)CC1 1507735665 DQVSEBZFJVMNJH-FCHUYYIVSA-N 451.571 2.201 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@@]2(C)COCCO2)CC1 1507736115 MLGXROPTJSAOJE-CJAUYULYSA-N 485.560 2.329 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1507916865 VKYBUIXWEHHTNL-GOSISDBHSA-N 487.626 2.451 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1508077926 ROTNNFABGNPWMH-SFHVURJKSA-N 471.569 2.186 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCN(c2ccccc2OC)CC1 1508145221 YGALPESVCJJTMF-UHFFFAOYSA-N 482.610 2.200 30 10 JEEE C[C@H](CC#N)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@]1(O)CCN(C)C1 1509951841 IDIITDOCBRCCST-HXOBKFHXSA-N 461.611 2.198 30 10 JEEE COCCC1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(C(=O)COC)CC2)CCC1 1518978330 HVWUHHXQPDTHPG-UHFFFAOYSA-N 452.559 2.319 30 10 JEEE COCCN(CCC#N)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN1CCC(C)CC1 1519162839 HSNGAQDHMRAVJO-UHFFFAOYSA-N 478.601 2.290 30 10 JEEE C#CCn1ccc(CN(CCOC)C(=O)[C@H]2CS[C@@]3(c4ccc(F)cc4)CCC(=O)N23)n1 1525226580 VFAADAFVHMRIKN-NFBKMPQASA-N 456.543 2.221 30 10 JEEE C=CCn1cc(CNC(=O)[C@@H](CCS(C)(=O)=O)Cc2cccc(Br)c2)nn1 1529543400 BLZVTJOGYFECST-HNNXBMFYSA-N 455.378 2.136 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CCN1CCN(Cc2ccccc2)CC1 1538975608 ALLQLMLHMZNMQQ-GJZUVCINSA-N 466.630 2.206 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 1539447830 WWRFXFXRAHMPPW-UXHICEINSA-N 458.607 2.184 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H]2CCC[C@H](O)C2)CC1 1539462987 QTJXDHSQCWZMCD-CGXNFDGLSA-N 472.634 2.355 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@]2(O)CCSC2)CC1 1539468381 FNFIABLHABJRCU-MZNJEOGPSA-N 487.601 2.391 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCN2CCC[C@H]2C)CC1 1539470326 MMICGWGDANMYRF-GOSISDBHSA-N 465.558 2.303 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CC(C)(C)N2CCC(OC)CC2)CC1 1539475280 ALJSOSVPGULMOC-UHFFFAOYSA-N 467.618 2.128 30 10 JEEE C#CCSCCn1c(N2CC[C@H](NC(=O)OC(C)(C)C)C2)nnc1[C@]1(OCC)CCOC1 1539530334 FYVFTHVGPSNKCC-JTSKRJEESA-N 465.620 2.400 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)cn2C)n1CCS(=O)(=O)CC 1539542363 XWAKVJVBTDVHNE-GOSISDBHSA-N 454.394 2.473 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1CCC2(CC1)OCCO2 1539916197 HZUNSDOVRTVNFE-LJQANCHMSA-N 497.662 2.335 30 10 JEEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(c2nc(C)no2)CC1 1539967055 OAANVOPOEPSSBR-GOSISDBHSA-N 479.607 2.043 30 10 JEEE C=CCCCCn1c(N2CCN(C(=O)[C@H]3CCCN3C)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1539975229 PBRORVXVTHUODL-PXDATVDWSA-N 474.650 2.418 30 10 JEEE C=CCCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 1539998001 YQBJTZQOZIOOQY-CTNGQTDRSA-N 454.623 2.462 30 10 JEEE C=CCCOCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@H](C(=O)OC)C1 1540034277 ZGAJGAKCVIDKNP-KRWDZBQOSA-N 466.542 2.174 30 10 JEEE C=CCn1c(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1540861312 KYKWVVLDFXXMOD-JOCHJYFZSA-N 479.578 2.155 30 10 JEEE C=CCNC(=O)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CC(=O)N(C)[C@@H](C)C1 1540864121 PUVAEVCVSZDDQF-HNNXBMFYSA-N 465.583 2.346 30 10 JEEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1540868467 GOTKHILPSOCRGB-HNNXBMFYSA-N 489.502 2.244 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1540905455 WJMQNMITJPTUHW-GOEBONIOSA-N 459.494 2.021 30 10 JEEE CC(C)NC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cccs2)CC1 1541705514 GGBWXAFHBGIQBB-UHFFFAOYSA-N 479.610 2.485 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cn(-c3ccc(C(F)(F)F)cn3)nn2)[C@H](C#N)C1 1543734328 FYVAQQNPXKEORD-CYBMUJFWSA-N 451.409 2.266 30 10 JEEE CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)Cc1ncc(Cl)n1C 1547319848 CVYXFNPZRGSEDJ-UHFFFAOYSA-N 456.938 2.230 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1587557048 YKLKMFWBHDHHPI-ZWKOTPCHSA-N 460.542 2.052 30 10 JEEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1587798346 HWIWHXQRRXKFPQ-ZVDOUQERSA-N 469.590 2.203 30 10 JEEE C#CCN(c1nnc(C(C)C)n1Cc1cccc(NC(=O)[C@@H]2CCCO2)c1)[C@H]1CCS(=O)(=O)C1 1588030642 ZDGULOQIIVOEPH-SFTDATJTSA-N 485.610 2.194 30 10 JEEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1588035827 YAWDUFOJCMVKKB-YSIASYRMSA-N 490.651 2.412 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H](C1CCCCC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1588045997 VJWWZDLUNDBFCO-UNMCSNQZSA-N 472.659 2.421 30 10 JEEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1Cc1cccc(CN2CCO[C@H](C)C2)c1 1588158546 GTIBGHOHBRFKBO-HSZRJFAPSA-N 471.609 2.482 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cccc(CN2CCOCC2)c1 1588185757 LPXASEDKISPFEJ-HHHXNRCGSA-N 477.609 2.274 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](c2ccsc2)N(CC)CC)CC1 1588806114 HDHLDPZYNCBPRE-PMACEKPBSA-N 455.632 2.129 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccccc2C)CC1 1588885006 QQMXARLJJYFLEY-UHFFFAOYSA-N 457.538 2.248 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2Cc2ccc(N3CCN(CC)CC3)nc2)CC1 1588947694 SYPJLMUUGLYRJE-UHFFFAOYSA-N 492.672 2.028 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CCN2CCCCCC2)CC1 1588955315 VKAZISUQAJLEJI-UHFFFAOYSA-N 469.659 2.476 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2ccnc(N3CCCCC3)c2)CC1 1588969204 XFTBJRIKWWHQQM-UHFFFAOYSA-N 465.602 2.214 30 10 JEEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(=O)CC2CCCC2)CC1 1589708385 KPSPVULBHHBECO-KRWDZBQOSA-N 452.625 2.083 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CCSC1 1595239911 WRWFNVKDVHJBSH-SIKLNZKXSA-N 462.641 2.283 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCOC(C)(C)[C@H]1C 1595537527 SDSYAMARRKBONE-QGZVFWFLSA-N 479.585 2.371 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCC(Oc2ncccc2F)CC1 1595812716 ZUIPMZNLSNEKIA-UHFFFAOYSA-N 486.573 2.447 30 10 JEEE Cc1occc1CN(C)c1nnc(-c2ccc(C#N)cc2)n1CC1(O)CCS(=O)(=O)CC1 1611862211 DZUDQXLYBPZKMF-UHFFFAOYSA-N 455.540 2.294 30 10 JEEE CC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1)OC 1613623419 AIRTZQJFJWJFJF-ZEQRLZLVSA-N 481.645 2.473 30 10 JEEE CCNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCn2cc(Br)cn2)CC1 1615958923 HDWOXGSJFJRKGJ-UHFFFAOYSA-N 498.389 2.327 30 10 JEEE CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1CCCN1CCCCC1=O 1617268115 IFZXSCMMOABUDY-SFHVURJKSA-N 472.615 2.479 30 10 JEEE C=CC[C@@H](CO)CNC(=O)c1cccc(NC(=O)C[C@H]2SC(N3CCCCC3)=NC2=O)c1 1631912692 KEZNIXZZGVHLLI-VQIMIIECSA-N 458.584 2.414 30 10 JEEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C(F)F)cc1 1642048415 GTBDMPDYTPPGET-MRXNPFEDSA-N 459.515 2.478 30 10 JEEE N#Cc1cccc([C@@H]2CN(CC(=O)Nc3cccc(S(=O)(=O)N4CCCC4)c3)CCO2)c1 1642583335 BFPPETMLXTWENS-QFIPXVFZSA-N 454.552 2.355 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@H](C)CN2CCCCC2)c1 1689870551 RMUPSMKHTDQFOP-DENIHFKCSA-N 477.613 2.407 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1CCCNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1689979847 IGJJAAMCLVOYPZ-IAGOWNOFSA-N 453.609 2.333 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCNC(=O)c1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 1689984065 KQEVHHOZVYAQOH-FQEVSTJZSA-N 481.578 2.212 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@]1(O)CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1689994341 WNGKAFOZQUCSFN-PGRDOPGGSA-N 462.641 2.498 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H]2CCC[C@H](O)C2)CC1 1690110516 PGQMDKRPUQPCDR-FPOVZHCZSA-N 471.005 2.168 30 10 JEEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1690186216 MZGZYFNHYCMJKE-GUDVDZBRSA-N 483.704 2.329 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1690245264 GHHLBBYFOKSYQL-NUJGCVRESA-N 484.523 2.105 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H]1CCN(Cc2ccccc2)C1 1690288353 STNMJPUJYLPOLC-YADHBBJMSA-N 488.658 2.145 30 10 JEEE C=C(Cl)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1690334023 BNYDOQFQTFXTTP-GOSISDBHSA-N 496.977 2.237 30 10 JEEE C=CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1Cc1cn(C2COC2)nn1 1690525568 KRYQPWUPWZDGNB-UHFFFAOYSA-N 458.567 2.226 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H](C(N)=O)C1 1690729363 NDUAIJFKOVWROJ-KRWDZBQOSA-N 475.615 2.067 30 10 JEEE CC(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCCCS(C)(=O)=O)CC1 1690820037 YZIXUPVNGNCZNU-UHFFFAOYSA-N 458.588 2.090 30 10 JEEE CCN1CCN([C@@H](C)Cn2c(-c3nnc(O)c4ccccc34)nnc2N(C)C[C@H](C)C#N)CC1 1695866912 BNGFYXSNKBBRMP-MSOLQXFVSA-N 463.590 2.216 30 10 JEEE N#Cc1cccc(-c2nnc(N3CC[C@@H](C(=O)NCC(F)(F)F)C3)n2CCCN2CCOC2=O)c1 1698485885 DQIOPSHDVMZLEF-QGZVFWFLSA-N 491.474 2.164 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCC[C@H]2OC)c1 1705504113 NBWSBSOMMLDEBB-PZJWPPBQSA-N 464.570 2.385 30 10 JEEE C#CCN(c1nnc(COc2ccccc2CC)n1C[C@](C)(O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1705568858 WIFLRUZZKGTTBG-YKSBVNFPSA-N 474.627 2.453 30 10 JEEE C#CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1705629448 IZMULQQIXUHRJM-OYRHEFFESA-N 479.629 2.490 30 10 JEEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCC(C(=O)N2CCCC2)CC1 1705663830 DLIOOLPZVJZUCX-UHFFFAOYSA-N 486.667 2.475 30 10 JEEE C=C(C)COCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN2CCOC[C@@H]2C1 1705728862 AMYULEMAKHULNB-NRFANRHFSA-N 454.575 2.261 30 10 JEEE C=C(C)COCCn1c(COc2cccc(C)c2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1705739643 MIXBTPXLSUTBRJ-UHFFFAOYSA-N 468.558 2.279 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CC[C@@]2(CCOC2)O1 1705859820 ZJKHBIZLBKHMFX-NOXFTYBFSA-N 475.615 2.419 30 10 JEEE CC(=O)NCC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)CN2CCOCC2)CC1 1706044192 HVPUIXYQIJPASS-LJQANCHMSA-N 465.602 2.138 30 10 JEEE CCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1709441890 DUEQWAMSVKSNAO-OFNKIYASSA-N 472.615 2.372 30 10 JEEE CNC(=O)C(C)(C)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CCO[C@H](C#N)C1 1711286907 AILAZTOUXBFJRZ-CQSZACIVSA-N 477.363 2.217 30 10 JEEE COc1ccccc1Cc1nnc(N2CCC(CC#N)CC2)n1C[C@H]1CCCN1S(C)(=O)=O 1711975169 HVQHOAWJZFYGFJ-HXUWFJFHSA-N 472.615 2.432 30 10 JEEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCCC[C@H]2C)CC1=O 1712485484 AAOUNTYBGZNVMI-HXUWFJFHSA-N 465.602 2.376 30 10 JEEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1CCCN1C(=O)NC2(CCCC2)C1=O 1722344523 YJXXESNVXWABFC-UHFFFAOYSA-N 488.390 2.370 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H](OC)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1722360809 JXDKKLHFAWAQNZ-PZJWPPBQSA-N 451.552 2.355 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H](C)Oc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1722362028 RFTDDDSJSRNJBB-QUCCMNQESA-N 468.583 2.081 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cn4ccccc4n3)n2CCN(CC)C(C)C)CC1 1722449646 WSWKZCPAJRFTEQ-UHFFFAOYSA-N 476.629 2.213 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccc(OC)cc2OC)CC1 1722450743 PYDCBNIOJHSMPU-HXUWFJFHSA-N 453.543 2.161 30 10 JEEE C=C(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN([C@@H](C)C(=O)NCCCOC)CC1 1722525711 HHYYCXWPEUSCOI-PWRODBHTSA-N 476.666 2.436 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC(=Cc2cccc(OC)c2)CC1 1722692617 SSLOSEFZWMLWHV-UHFFFAOYSA-N 452.559 2.411 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](CNC(C)=O)C1 1722731342 KRZYWLYVKBLDJQ-IBGZPJMESA-N 454.575 2.382 30 10 JEEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1722743520 CVYADNWZDGGXFB-HAGHYFMRSA-N 451.637 2.078 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1722749638 HWFXEJBMBRRMKC-IBGZPJMESA-N 465.583 2.220 30 10 JEEE CC(C)CC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1723360487 BPDFSUSUUUDJQZ-DVECYGJZSA-N 467.574 2.130 30 10 JEEE CC(C)NC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1723650979 CJSSVIVJHYHKOU-DENIHFKCSA-N 480.617 2.315 30 10 JEEE CC(C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCC[C@H](O)C2)CC1 1723652044 FGENXUHFAJPNNO-IRLDBZIGSA-N 465.602 2.014 30 10 JEEE CCN1CCN(C[C@@H](C)Cn2c(COc3cc(C)ccc3C)nnc2N2CCO[C@@H](C#N)C2)CC1 1728632918 GWMMRKKICZZAPC-GGAORHGYSA-N 481.645 2.476 30 10 JEEE COCCC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](c3cccc(C#N)c3)C2)CC1 1730639982 AFEYOACJUCEZDO-FXAWDEMLSA-N 488.614 2.155 30 10 JEEE C#CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCNC(=O)[C@H]1CC 1740574083 JNYKVAUSAFFWPQ-MSOLQXFVSA-N 460.579 2.105 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H](OC)c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1740620573 FCLMXDUQZPBWFG-TZIWHRDSSA-N 469.542 2.494 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1CCCCNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1740621740 OPWPYQUCMDVTNW-LJQANCHMSA-N 488.614 2.272 30 10 JEEE C#CCN(c1nnc(CC)n1Cc1cccc(C(=O)N[C@@H](C)CC)c1)[C@@H]1CCS(=O)(=O)C1 1740624313 FIUHIWHOSSBJQK-FXAWDEMLSA-N 457.600 2.044 30 10 JEEE C#CCN(c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(C)C)[C@H]1CCS(=O)(=O)C1 1740627406 QHGPPGHAAYVBAO-OALUTQOASA-N 495.646 2.259 30 10 JEEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2CCCN2CCCO[C@H](C)C2)CC1 1740698272 COOWTWWFFYAYRB-HSZRJFAPSA-N 466.630 2.156 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@](C)(O)c2ccsc2)CC1 1740701030 RULTYQINRCXAEN-DEOSSOPVSA-N 486.642 2.132 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1740743519 YHGUFUGJBZWFLD-HNNXBMFYSA-N 451.369 2.119 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(-c2ccsc2)nc1 1740899558 NPDGEZYFRKEPLW-IBGZPJMESA-N 474.612 2.405 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N(C)C1CCN(C(=O)c2ccccc2)CC1 1740957807 BAWYYLIQTMUQIE-FQEVSTJZSA-N 466.586 2.215 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCOc2ccccc2)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1740993863 FFZROTYPFBXPEV-PMACEKPBSA-N 459.616 2.173 30 10 JEEE CC(C)C(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)N2CCOCC2)CC1 1741272698 HFWWDJBKOKGZOJ-HXUWFJFHSA-N 465.602 2.232 30 10 JEEE Cc1nn(C)c(N2CCN(c3nnc(C)n3Cc3cccnc3OCC(F)(F)F)CC2)c1C#N 1742668433 AFAALCITZLFFAO-UHFFFAOYSA-N 475.479 2.211 30 10 JEEE CN(CCN1CCOC(C)(C)C1)c1nnc(-c2cccc(C#N)c2)n1CC1(CS(C)(=O)=O)CC1 1747965765 BHLXJCAWEJGYHC-UHFFFAOYSA-N 486.642 2.189 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2C[C@H](C)CN2CCN(CC)CC2)c1 1748692742 NASKHYQPMNDWIL-GGAORHGYSA-N 493.656 2.112 30 10 JEEE C#CCCCCn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1748718562 KOWYPAYOXOHTOU-UHFFFAOYSA-N 457.604 2.012 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H](Cc1ccccc1)OC)[C@H]1CCS(=O)(=O)C1 1748823767 BIKCWGMZEGSAII-PWRODBHTSA-N 458.584 2.014 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)c1ccc2c(c1)OCCO2 1748892510 PUDBRHYECQCRAC-IBGZPJMESA-N 482.606 2.392 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCN1CCCO[C@@H](C)C1 1748915098 PHONDRSJWZCNAK-FQEVSTJZSA-N 488.658 2.156 30 10 JEEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC[S@](=O)C(C)(C)C 1748920464 NFBYMEOEQAKKCT-PMERELPUSA-N 450.634 2.245 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2CCCCN2CCN(CC)CC2)CC1 1748993230 RJOPLYKTOQDJKC-UHFFFAOYSA-N 467.637 2.181 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cn4ccccc4n3)n2C[C@@](C)(O)[C@@H](C)CC)CC1 1749017242 YEHHPYXFNHLRGM-AFMDSPMNSA-N 477.613 2.280 30 10 JEEE C#CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1749037779 INQWIVGYXPEFNS-UGKGYDQZSA-N 498.653 2.194 30 10 JEEE C#CCSCCn1c(N2CCC[C@@H](NC(=O)C(C)(C)C)C2)nnc1[C@@]1(OCC)CCOC1 1749048731 UXWJNDBFBSYVDX-WZONZLPQSA-N 463.648 2.428 30 10 JEEE COc1ccccc1OCc1nnc(N2CCC[C@@](C)(C#N)C2)n1CC1(C(N)=O)CCOCC1 1749091059 CRIBNQCJKPDHLO-QHCPKHFHSA-N 468.558 2.278 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1749131445 SDRDHOXDXRUZJO-GHTZIAJQSA-N 478.619 2.098 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCn1c(C)nc2ccccc21 1749158255 FFIRPTVAWPZFPY-NRFANRHFSA-N 487.630 2.372 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1749268964 KIYXCLIPNCEFJH-TYILLQQXSA-N 457.984 2.036 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CC[C@@]2(CCC(=O)N2)C1)C(C)C 1749557061 GEVSXQQWSZWPKA-RDPSFJRHSA-N 452.607 2.236 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1)C(C)C 1749557431 ISIVTZMJZLURGL-RDGPPVDQSA-N 458.563 2.042 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1749740119 QIPCZIUWIFUEBA-MRXNPFEDSA-N 478.468 2.365 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1Cc1cc(F)ccc1N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1760181783 BOAFYSITFBOYCC-NQIIRXRSSA-N 489.617 2.442 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2CCn2c(C)nc3ccccc32)CC1 1760257369 UZWQGSKRHOVEFL-IBGZPJMESA-N 451.575 2.116 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@]2(O)CCO[C@H]2C)CC1 1760267707 WVGSZMJVUPYQBP-QMHKHESXSA-N 457.962 2.104 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@H]2CCO[C@H]2C(C)C)CC1 1760272037 WQRRWIOYVHMUBK-GGAORHGYSA-N 450.587 2.291 30 10 JEEE C=C(C)Cn1c(Cc2csc(C)n2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1760350074 RHSGUAZHUSUOOQ-UHFFFAOYSA-N 471.631 2.150 30 10 JEEE C=CCN(Cc1cccs1)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCS(C)(=O)=O 1760486456 OSIBSRWMEZDNEI-UHFFFAOYSA-N 484.607 2.491 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1760518395 SZEQLSYOIZOXHP-KRWDZBQOSA-N 451.531 2.406 30 10 JEEE COC(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CCCC2)C1 1767894652 DQIVADNKZANRQS-GOSISDBHSA-N 457.556 2.173 30 10 JEEE CC[C@H](NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1)C(=O)N1CCN(c2ncccn2)CC1 1868794392 BVTVJLMWEICLFG-PMACEKPBSA-N 481.626 2.058 30 10 JEEE COc1ccc(CCN2C[C@@H](C(=O)Nc3c(C#N)nnn3-c3cccc(F)c3)CC2=O)cc1OC 1870149688 NKAXHSDBGXNPSY-INIZCTEOSA-N 478.484 2.325 30 10 JEEE C=CCOc1cn(CCCN(C)C)c(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1=O 1870385708 JHMHNRYRCOWLQA-UHFFFAOYSA-N 468.598 2.411 30 10 JEEE C=CCN=c1nc(N2CCN(c3ncccn3)CC2)[nH]c(=Nc2cc(Cl)cc(Cl)c2)[nH]1 1871539147 KLDSTDNXYMLHGV-UHFFFAOYSA-N 458.357 2.480 30 10 JEEE COc1ccc(N2C[C@H](c3nnc(SCC(N)=O)n3/N=C/c3ccccc3F)CC2=O)cc1 1874199831 YFZNINDVUJXSGH-BJOYXVINSA-N 468.514 2.406 30 10 JEEE CCOc1ccc(/C=N/n2c(SCC(N)=O)nnc2[C@@H]2CC(=O)N(C(C)C)C2)cc1OCC 1874336680 CLZOCEGRUPMUPH-JKHIYUEESA-N 474.587 2.259 30 10 JEEE Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CCC(=O)N1CCC(COc2cc(C#N)ccn2)CC1 1891391768 BWDJFYFZXSCHCO-NRFANRHFSA-N 485.610 2.376 30 10 JEEE CS(=O)(=O)c1ccc2nc(N3CC(C(=O)N4CCN(c5cccc(C#N)c5)CC4)C3)sc2c1 1892329454 UZMLKWFNUFWWDD-UHFFFAOYSA-N 481.603 2.356 30 10 JEEE CC(C)(C)OC(=O)N1CSC[C@@H]1C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2248419939 KREIJJOIPNHAAO-GFCCVEGCSA-N 455.411 2.369 30 10 JEEE C[C@@H](CCNC(=O)c1nn(C)c(Cl)c1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2255823387 UMYXWBJZOZLZEK-LBPRGKRZSA-N 456.780 2.406 30 10 JEEE Cc1cc(S(=O)(=O)N2CC(NC(=O)OC(C)(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2255931162 GYGXLURXRZQIDC-UHFFFAOYSA-N 452.382 2.192 30 10 JEEE CC(C)(C)OC(=O)N[C@@]12C[C@H]1CN(S(=O)(=O)c1cc(B3OC(C)(C)C(C)(C)O3)cs1)C2 2255948396 LORKHNGJAQLVNG-RNODOKPDSA-N 470.422 2.335 30 10 JEEE CC(C)(C)OC(=O)NC[C@H](CO)NC(=O)c1cccc(Cl)c1B1OC(C)(C)C(C)(C)O1 2256088678 KPOSEOZFHMDSLJ-CYBMUJFWSA-N 454.760 2.255 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)sc1CNC(=O)[C@H](O)[C@@H](C)NC(=O)OC(C)(C)C 2256625591 YSRXORRJACUXCH-CZUORRHYSA-N 454.398 2.246 30 10 JEEE CN1CCN(C(=O)OC(C)(C)C)C[C@H]1CNc1nccc(B2OC(C)(C)C(C)(C)O2)c1F 2266053081 XAUZWKDZAKFMCO-OAHLLOKOSA-N 450.364 2.483 30 10 JEEE CN(C[C@H](O)CNC(=O)OC(C)(C)C)C(=O)c1c(F)cccc1B1OC(C)(C)C(C)(C)O1 2266986325 IMNCPSAMKQXAHL-CQSZACIVSA-N 452.332 2.083 30 10 JEEE CN(C[C@]1(O)CCN(Cc2ccccc2)C1)C(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2267167069 ATRNLIYUKQMKBV-HSZRJFAPSA-N 457.405 2.151 30 10 JEEE CC(C)(C)OC(=O)NCC[C@H]1CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)CCO1 2267282260 AOERGCOOCGNSRF-HNNXBMFYSA-N 450.341 2.335 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](S(C)(=O)=O)[C@H](NC(=O)C2(B3OC(C)(C)C(C)(C)O3)CCC2)C1 2267505686 MCPQFNMBAJDJGR-CABCVRRESA-N 472.413 2.152 30 10 JEEE Cc1cc(C(=O)NC[C@@H]2COCCN2C(=O)OC(C)(C)C)oc1B1OC(C)(C)C(C)(C)O1 2267518249 AQAGEUAHBLECRX-OAHLLOKOSA-N 450.341 2.253 30 10 JEEE Cc1cc(C(=O)N[C@@H]2COC[C@H]2CNC(=O)OC(C)(C)C)oc1B1OC(C)(C)C(C)(C)O1 2267527896 NXSKLLPQOBAVSG-HUUCEWRRSA-N 450.341 2.157 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@](CO)(NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)C1 2267550629 CAJSVPLOWSPIHT-QFIPXVFZSA-N 450.341 2.071 30 10 JEEE N#Cc1ccc(NS(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)cc1Br 2270539114 CEIHAULVFWBQLQ-INIZCTEOSA-N 482.312 2.442 30 10 JEEE CC(C)(C)OC(=O)N1CC(F)(F)[C@@](C)(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2278163243 ASDJLZXLNAMXAQ-GOSISDBHSA-N 474.339 2.090 30 10 JEEE Cc1c(C(=O)N[C@@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281985330 IZZXBLAYMPJPGR-JKSUJKDBSA-N 462.400 2.451 30 10 JEEE CCCN(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nn(C)c1C)C1CN(C(=O)OC(C)(C)C)C1 2281990393 MNSLWXUJMMWOFE-UHFFFAOYSA-N 462.400 2.499 30 10 JEEE Cc1nn(C)c(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]3C[C@@H]23)c1B1OC(C)(C)C(C)(C)O1 2281992019 IODVCIYJOVHWLS-ARFHVFGLSA-N 460.384 2.155 30 10 JEEE CC(C)(C)OC(=O)N1[C@H](CNC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)C[C@H]2COC[C@H]21 2282014079 NQTWZTRBKFZVNH-SOUVJXGZSA-N 479.408 2.197 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@]2(C[C@H](NC(=O)c3occc3B3OC(C)(C)C(C)(C)O3)CO2)C1 2282055053 YWRKDGYGZMLHJY-NPMXOYFQSA-N 462.352 2.477 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2CCCN(C(=O)c3ncncc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2282099591 JSPPFEHRVNLGJC-WBVHZDCISA-N 458.368 2.247 30 10 JEEE C[C@H]1CC[C@@H](NC(=O)C(F)(F)F)CN1S(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2282345500 PMBYGCPSZOZRDJ-DZGCQCFKSA-N 476.326 2.206 30 10 JEEE CO[C@@H]1CN(C(=O)c2c(F)cccc2B2OC(C)(C)C(C)(C)O2)C[C@H]1NC(=O)OC(C)(C)C 2282466191 ZBFCJLNRVUPVRD-IAGOWNOFSA-N 464.343 2.489 30 10 JEEE CCn1cc(C(=O)N2C[C@H]3CC[C@H]2CN3C(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2282536479 CVHPJQFBEGHKHA-JKSUJKDBSA-N 460.384 2.426 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C2(CC2)C1 2282537001 KAVRSTJECNBYJD-HNNXBMFYSA-N 460.384 2.381 30 10 JEEE CN(CC1CCN(C(=O)OC(C)(C)C)CC1)C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2282556679 LJIDJKWLJMUNEP-UHFFFAOYSA-N 462.400 2.438 30 10 JEEE Cc1ccnc(C(=O)NCCOCCCNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2282570873 MRIYVQNODFNDQS-UHFFFAOYSA-N 463.384 2.350 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(C(=O)OC(C)(C)C)[C@@H]2CC[C@@H]21 2282582714 ZGYSFPYDXVHREF-DLBZAZTESA-N 460.384 2.426 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NCC2(CCOCc3ccccc3)CC2)n1 2282832437 PAQZQXVZGLKOKI-UHFFFAOYSA-N 475.420 2.385 30 10 JEEE CC[C@@](C)(CNC(=O)OC(C)(C)C)N(C)S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282841974 RCJDYBSDHFJWFJ-NRFANRHFSA-N 486.444 2.033 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(O)cc2O)C1 2282919118 XXMRIIKXXKXLKB-HDJSIYSDSA-N 462.352 2.430 30 10 JEEE C[C@@H]1CN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1CCNC(=O)OC(C)(C)C 2283065232 ZNZUMWQBQRCAKW-CVEARBPZSA-N 460.384 2.399 30 10 JEEE C[C@@H](NC(=O)[C@@]1(CO)CCCN1C(=O)OC(C)(C)C)c1nscc1B1OC(C)(C)C(C)(C)O1 2283963052 HYJFKHFYLCTOJQ-PEBXRYMYSA-N 481.424 2.382 30 10 JEEE COC(=O)[C@H](CS(=O)(=O)Nc1sc(C)c(C)c1C#N)NC(=O)OCc1ccccc1 2286037311 XTSHAKRMWHPXPD-INIZCTEOSA-N 451.526 2.446 30 10 JEEE COc1cc(C=Nn2c(Cc3ccc(OC)c(OC)c3)nnc2SCC(N)=O)ccc1O 2326736174 YFJNLNNCPXMNHE-UHFFFAOYSA-N 457.512 2.060 30 10 JEEE COc1ccc(C=NNc2nc3c(c(O)nc(=O)n3C)n2C[C@@H](O)COc2ccc(C)cc2)cc1 2327754167 PGHWTNWFMCAGJG-QGZVFWFLSA-N 478.509 2.039 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(C(=O)OC(C)(C)C)CCC12CC2 2362348352 PZODTOMCGGEOTI-UHFFFAOYSA-N 460.384 2.335 30 10 JEEE CCOc1ccc(/C=N/Nc2nnc(SCC(=O)Nc3ccccc3[N+](=O)[O-])n2N)cc1 20527975 RUQPTGQEWNTMQY-SRZZPIQSSA-N 456.488 2.476 30 10 JEEE CC(=NOCC(=O)OCC(=O)NC(=O)c1ccc(OC(F)F)cc1)c1ccc2c(c1)OCO2 254306752 CNXUBFFUJZQOSA-UHFFFAOYSA-N 464.377 2.257 30 10 JEEE COc1ccc(S(=O)(=O)N(CCCN2CCOCC2)Cc2cccc(C#N)c2)cc1OC 586172044 LDBLSAUTWRWEEW-UHFFFAOYSA-N 459.568 2.489 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)[C@H](C)OC(=O)c3ccc(-n4cnnn4)cc3OC)cc21 586271501 LXHHWAPTNIXTKK-AWEZNQCLSA-N 463.450 2.011 30 10 JEEE C=CCN(Cc1cccs1)C(=O)NCCN=c1ncnc2n(C)[nH]c(Br)c1-2 729625929 FBMBLVKFLCIJEP-UHFFFAOYSA-N 450.366 2.371 30 10 JEEE CN1CCC(n2c(=C(C#N)C(=O)c3ccccc3)sc(=Cc3cnn4ccccc34)c2=O)CC1 729668789 CZLXEDQUGYPCTD-UHFFFAOYSA-N 469.570 2.210 30 10 JEEE Cc1nn(C)c2sc(C(=O)N[C@H](C)C(=O)N3CCN(c4cccc(F)c4C#N)CC3)cc12 1135946658 BCCWLAALKOQNSQ-CQSZACIVSA-N 454.531 2.421 30 10 JEEE CCOC(=O)Nc1ccc(NC(=O)[C@@H]2C[C@H](O)CN2C(=O)Cc2ccccc2F)cc1C#N 1137704958 ATSVJVFLNKQPQI-PXNSSMCTSA-N 454.458 2.409 30 10 JEEE C=CCCC[C@H](NC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(C(C)=O)cc1)C(=O)OC 1155468695 YGOLOVHTBFVWAY-VQTJNVASSA-N 450.557 2.447 30 10 JEEE CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCN(CCCc2nc(-c3cccs3)no2)CC1 1185389277 FJYGFYSZEHVPHM-INIZCTEOSA-N 452.606 2.075 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccccc1CN1CCC[C@@H]1CO)[C@@H]1CCS(=O)(=O)C1 1286382984 BXYBAELFRILWDV-DHIUTWEWSA-N 499.681 2.207 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1CC(C)(C)N1CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1286387547 SDQAOMJPEMDRQO-UXHICEINSA-N 472.659 2.421 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCCCN(C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1286388642 ANMVDSWHFMYDNX-JOCHJYFZSA-N 481.626 2.222 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC[C@@H]1CCO[C@H](C)C1 1286401967 UHWMJAZVQHGLMV-WOJBJXKFSA-N 469.611 2.473 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(F)ccc2Br)n1CC(=O)NCC1CC1 1286460380 XMEWAOIFPHJUPH-UHFFFAOYSA-N 464.339 2.459 30 10 JEEE C#CCSCCn1c(N2CCN(C)C(=O)[C@H]2C)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1286513296 STCMPPXHBMZCEG-ZACQAIPSSA-N 462.620 2.082 30 10 JEEE C=C(Br)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1286537844 FCELSDQOQVCQRN-DOMZBBRYSA-N 469.409 2.354 30 10 JEEE C=C(C)COCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1286605652 RHWOAMWUXQGZRZ-UHFFFAOYSA-N 463.586 2.154 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CCCOc1cccc(S(C)(=O)=O)c1 1286627386 CMXFUHGRPUNXTH-KRWDZBQOSA-N 467.979 2.291 30 10 JEEE C=CCn1c(N2CCCN(Cc3ccc(OC)cc3)C(=O)C2)nnc1[C@]1(OCC)CCOC1 1286777869 NQBQMOIDRIMSMB-DEOSSOPVSA-N 455.559 2.364 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](c2ccccc2Br)C1 1286780827 IWMMZDZSHWTWNR-KRWDZBQOSA-N 491.390 2.059 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](CNC(=O)c2ccccc2)C1 1286788227 SIBHTFJXIQONER-CTNGQTDRSA-N 466.586 2.468 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CC(=O)NCC(F)F)C1 1286807907 HICFKJQJMIPCEJ-GOSISDBHSA-N 457.485 2.293 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](CN2CCCC[C@H]2C)C1 1286813973 GVYBDPJPHWNHPE-WOJBJXKFSA-N 480.679 2.108 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc3cccnc23)nnc1N(C)Cc1cnn(C)c1 1286817071 PEXQBGZQLVDBKL-UHFFFAOYSA-N 451.556 2.464 30 10 JEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 1286832293 JJKHOOOOBODEJY-KRWDZBQOSA-N 484.669 2.139 30 10 JEEE CC(C)CCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(N2CCOCC2)nc1 1287604972 AEQIDDSGAFLEHG-FQEVSTJZSA-N 466.590 2.275 30 10 JEEE CCC[C@H](C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CC(N)=O)CC1 1293849544 CRTCWOKTZDRZQR-KRWDZBQOSA-N 451.575 2.461 30 10 JEEE CN(Cc1ccon1)c1nnc(COc2ccc(C#N)cc2)n1CC1(CS(C)(=O)=O)CC1 1298473299 HIOPHRPCQAVNAL-UHFFFAOYSA-N 456.528 2.178 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2Cc2ccc(NC(C)=O)nc2)c1 1300334543 PCPDQRKKXVEUIR-HXUWFJFHSA-N 473.537 2.240 30 10 JEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2cccc(Cl)c2)CC1 1300384176 MXRGAKLSXQYGAG-KRWDZBQOSA-N 465.023 2.277 30 10 JEEE C#CCN(c1nnc(C2CCCC2)n1CC1(C(=O)N(C)C)CCCC1)[C@@H]1CCS(=O)(=O)C1 1300491273 FZPIBZGZZMQFCJ-LJQANCHMSA-N 461.632 2.211 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2cn(C)nc2-c2ccccc2)CC1 1300683088 WAUUQWWZWVIFKD-UHFFFAOYSA-N 474.613 2.401 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCC2(O)CCOCC2)CC1 1300716492 MUKKJTPANWAPEC-IBGZPJMESA-N 499.587 2.455 30 10 JEEE C#CCSCCn1c(Cc2ccsc2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1300767246 TYQKIXHSOQDYQL-LJQANCHMSA-N 472.684 2.430 30 10 JEEE C=C(Br)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1300823287 BKFNHZVQQNZHPP-KBPBESRZSA-N 460.336 2.081 30 10 JEEE C=C(Br)Cn1c([C@H]2COc3ccccc3O2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1300848309 CYDZWSQFFQGLSR-XJKSGUPXSA-N 469.361 2.323 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1301575990 OJDYJRLPGRKYCS-PNLZDCPESA-N 491.570 2.227 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1301587110 MNKFLCCQUOIKJE-UHFFFAOYSA-N 471.505 2.213 30 10 JEEE C=CCS(=O)(=O)CCn1c(CSc2ccc(C)cc2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1301593773 UGOFLBKYYJTYMK-JOCHJYFZSA-N 477.656 2.442 30 10 JEEE CC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1)OC 1305816881 CEHCDPMSSFTSIY-SIKLNZKXSA-N 465.602 2.375 30 10 JEEE COCC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(SC)CCN(C)CC2)CC1 1315752161 FCLNQIBEUGTKAS-UHFFFAOYSA-N 497.669 2.376 30 10 JEEE CS(=O)(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCSC2)C1 1316342415 CEGLXBPEHOIFIP-IEBWSBKVSA-N 461.613 2.495 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1CCNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1358965340 SNLDSJWXEQQAPR-FQEVSTJZSA-N 487.626 2.329 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C(F)(F)F)cc2C)CC1 1359029384 WFRLOMPNIQXTFY-MRXNPFEDSA-N 484.548 2.019 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@](C)(O)c2cccs2)CC1 1359043303 PPWWBUZWRFOWOD-QHCPKHFHSA-N 450.568 2.275 30 10 JEEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 1359054556 ZABQAVWQOZKYSQ-LJQANCHMSA-N 476.672 2.481 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](c2ccsc2)N(C)C)C1 1359322236 RZKQYYRDZLPZIO-OTWHNJEPSA-N 465.645 2.326 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)[C@H](C)CC#N 1359330856 FMIXNVLAISEZBI-MRXNPFEDSA-N 469.571 2.014 30 10 JEEE CC(C)NS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1360315066 ASBRFGOVLGIMSV-NHCUHLMSSA-N 488.614 2.297 30 10 JEEE C#CCOc1ccccc1CNC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC 1475947347 OVDJGGSADCPLRE-UHFFFAOYSA-N 459.524 2.050 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC1(O)CCS(=O)(=O)CC1 1507514946 FMCWKGTUYYIANE-HZPDHXFCSA-N 466.991 2.469 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1CCc1ccc(F)c(F)c1F)[C@@H]1CCS(=O)(=O)C1 1507631655 FTIPULFUHJXJRT-JKSUJKDBSA-N 468.501 2.069 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCC1CCN(CC)CC1)[C@H]1CCS(=O)(=O)C1 1507635472 SLILUCFGYNRYQN-NRFANRHFSA-N 490.699 2.383 30 10 JEEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1Cc1oc(CC)nc1C)[C@H]1CCS(=O)(=O)C1 1507639444 KHJALHPWPQXSOI-SFHVURJKSA-N 499.593 2.400 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](OC)C1CC1 1507672003 SPZVEGPFCQJRQY-PMACEKPBSA-N 457.575 2.474 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2CCC[C@H]2OC)CC1 1507734071 GQTVSXZQMNPBBO-IFMALSPDSA-N 499.637 2.130 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2CCC2(O)CCOCC2)CC1 1507740919 QVHIAZWJJLDXAL-UHFFFAOYSA-N 481.597 2.063 30 10 JEEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1507779382 NPHBEIVODUQRAI-ROUUACIJSA-N 471.444 2.127 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)CC)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1507802430 BWVIIAFOWFHJAJ-CGXNFDGLSA-N 481.663 2.404 30 10 JEEE C=C(Cl)Cn1c(N2CCN3C(=O)N(CC)C(=O)[C@@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1507872299 CQFHUZRPBKZEBR-XHSDSOJGSA-N 493.996 2.274 30 10 JEEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1508095736 RZVBHKORLRDFRQ-UHFFFAOYSA-N 480.613 2.431 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1508104527 JHDUBVYHEUKGCT-ZJALGTKESA-N 475.615 2.099 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN(Cc2ccccc2OC)CC1 1508138071 VVBKLLDDBAWWTG-UHFFFAOYSA-N 484.626 2.215 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)CN1C(=O)N[C@](C)(c2ccc(Br)cc2)C1=O 1538571843 JKJSIYAJTHLXMA-QKMWGZLOSA-N 450.333 2.314 30 10 JEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](c2ccccc2OC)C1 1539072905 YPBZCGMFNRZUPO-UGKGYDQZSA-N 487.626 2.417 30 10 JEEE COCCN(C)S(=O)(=O)c1ccc(N(C)C(=O)c2ccn(-c3cccc(C#N)c3)n2)cc1 1539106075 DAQDYFREYMKJOB-UHFFFAOYSA-N 453.524 2.287 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC1(CCOC)CCC1)[C@H]1CCS(=O)(=O)C1 1539215320 ACGDUTWFOKWVED-IBGZPJMESA-N 457.600 2.482 30 10 JEEE C#CCN(c1nnc(COCC)n1Cc1ccc(OC(F)F)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1539231003 NITKLIFPWJFSDK-OAHLLOKOSA-N 472.489 2.230 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H](C)N(C)c2ccccc2)CC1 1539428260 OJCJEODMMQPWTB-FQEVSTJZSA-N 451.619 2.477 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCOC(C)(C)C)CC1 1539452514 VAGQFIBYUVORFT-LJQANCHMSA-N 476.622 2.157 30 10 JEEE C#CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1539530908 PGGHOODTBIHUML-SJORKVTESA-N 483.660 2.340 30 10 JEEE C=C(C)COCCn1c([C@H]2CCCCO2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1539751920 XJPYAFPYHBLCBW-LEWJYISDSA-N 460.623 2.245 30 10 JEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(OC)c(OC(F)F)c1 1540858404 VPWKLGWCIOBBLQ-KRWDZBQOSA-N 487.529 2.043 30 10 JEEE C=CCn1c(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1540861407 PLACYGSMKNTFFW-QHCPKHFHSA-N 475.615 2.157 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1540863528 XZGHAPRLMZVRDL-PWIZWCRZSA-N 459.522 2.244 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(c2nc(CC)ns2)CC1 1540876332 NZKLMXIVBCQCCS-VQIMIIECSA-N 488.662 2.239 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2cccc(F)c2F)C1 1540883712 DAROFKYZXOXNAD-HOCLYGCPSA-N 455.531 2.191 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H](C)CN2CCOCC2)C1 1540885570 LQLXSTDEWRMSRK-CTNGQTDRSA-N 489.642 2.098 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccc(N(C)C)nc1 1541107209 GVFVSRZXLOYBJW-INIZCTEOSA-N 453.572 2.454 30 10 JEEE CC(C)C(=O)NCCn1c([C@@H]2CCOC2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1541286014 GOFPIJYWESKPKM-LJQANCHMSA-N 452.559 2.474 30 10 JEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(Cc2ccc(C(N)=O)cc2)CC1 1542923990 OBZMDWDAAXTADU-SFHVURJKSA-N 450.967 2.466 30 10 JEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C(=O)OC)c2ccc(C(F)(F)F)cc2)cc1 1558663440 OVDJJOMWCFCEIX-QGZVFWFLSA-N 454.426 2.261 30 10 JEEE CCc1ccc(O[C@H](C)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3OC)CC2)cc1 1561252016 CVCZHVMZWPAIHL-QGZVFWFLSA-N 457.552 2.430 30 10 JEEE CC#CCCCC(=O)N1CCN(c2ccc(S(=O)(=O)N(CC)CC)cc2[N+](=O)[O-])CC1 1570651527 CVVBNIRXXUEQNS-UHFFFAOYSA-N 450.561 2.468 30 10 JEEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@@H](C)CN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1588044638 AASDEOXYXMQJJJ-RBUKOAKNSA-N 459.591 2.443 30 10 JEEE C#CCN(c1nnc(-c2nnc(O)c3ccccc23)n1CCCCOCC)[C@H]1CCS(=O)(=O)C1 1588049240 CTJOCILLNUSQAR-KRWDZBQOSA-N 484.582 2.037 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H](c1cccs1)N(C)C)[C@H]1CCS(=O)(=O)C1 1588065399 YEIUDVIPBCUBSL-PMACEKPBSA-N 484.651 2.255 30 10 JEEE C#CCN(CCOC)c1nnc(COc2ccccc2F)n1C[C@H]1CCCCS1(=O)=O 1588694673 BMHAQHRDVOBSLL-QGZVFWFLSA-N 450.536 2.050 30 10 JEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](c2nc(C)cs2)C1 1588984702 JMDBFASCKWKVMU-HOTGVXAUSA-N 468.674 2.404 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(C)cc1O[C@H]1CCOC1 1589149953 BIKXXORCRAAIQL-LJFZDNNRSA-N 487.626 2.405 30 10 JEEE C=C(C)COCCn1c(COc2cccc(C)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1593764060 WHSHPPURAROQPK-FQEVSTJZSA-N 468.558 2.231 30 10 JEEE C=CCN(Cc1cccs1)c1nnc(C(=O)N2CCCC2)n1CCC(=O)N1CCOCC1 1595142349 RGBQRPPOHNCMCM-UHFFFAOYSA-N 458.588 2.017 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1CCC[C@@H](C)C1 1595302810 FHOFMLIYPWVSMN-MOPGFXCFSA-N 453.653 2.330 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)c1ccccc1Cl 1595303160 MJDWKLXROCDXHN-KKSFZXQISA-N 469.007 2.380 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CSc2ccccc21 1595303263 ORVMJDJVUBANGQ-HKUYNNGSSA-N 493.655 2.139 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1595577423 RTGWVLNXAVIOIK-RBUKOAKNSA-N 461.950 2.197 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1cc(Br)cs1 1595789407 SDBJYWUKAAUQHI-AWEZNQCLSA-N 488.433 2.290 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCC(CNC(C)=O)CC1 1595804906 HWSUHJSUGWAOOV-UHFFFAOYSA-N 459.616 2.131 30 10 JEEE Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)Nc1ccc(Oc2ccc(C#N)cn2)cc1 1597981093 AANHJTLIPGFGMH-AWEZNQCLSA-N 454.512 2.401 30 10 JEEE C[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1)Oc1ccc(Cl)cc1 1611582885 DDCTYHJFKAUXAR-RKVPGOIHSA-N 465.963 2.030 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCc1cccnc1 1613588193 AQHPJJNFLDXIFA-SFHVURJKSA-N 488.600 2.211 30 10 JEEE CCOC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C2CC2)N(C)C)CC1 1615999354 DDZCFRPPYBTPJJ-NRFANRHFSA-N 467.574 2.347 30 10 JEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H](C)CNC(=O)OC(C)(C)C 1616197839 DFVPNYJNZNGATR-HOCLYGCPSA-N 452.577 2.313 30 10 JEEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)CC1 1627015247 LTNNLKYHJPFGOP-SIKLNZKXSA-N 456.587 2.172 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(O)(Cc3ccc(F)cc3)CC2)s1 1638907728 AZVKINXVVSGRKH-UHFFFAOYSA-N 452.573 2.490 30 10 JEEE Cc1nc(SCC(=O)NC[C@@H](NS(=O)(=O)N(C)C)C2CCCC2)c(C#N)c(C)c1C 1642454334 HFDZBPTXEWDVQO-GOSISDBHSA-N 453.634 2.042 30 10 JEEE CCNC(=O)COc1ccc(CNC(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)cc1OC 1674769474 CFHLEDCXWWXMNK-QFIPXVFZSA-N 452.511 2.365 30 10 JEEE C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCN(CC(=O)Nc2ccc(Br)cc2)CC1 1683479581 KBPULESNQAREJP-YJBOKZPZSA-N 451.365 2.306 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1c[nH]c2c(CC)cccc12 1689852449 FLAODFMOLJLKQM-DYESRHJHSA-N 484.626 2.355 30 10 JEEE C#CCN(c1nnc(-c2cn(C)c3ccccc23)n1CC(C)(C)OC)[C@@H]1CCS(=O)(=O)C1 1689988714 UVUNOYCFXWNBKM-QGZVFWFLSA-N 455.584 2.489 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1Cc1cccnc1OCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1689991980 FJMHSAUIIQAIDY-KRWDZBQOSA-N 485.532 2.488 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(C)CN(C2CC2)C1=O 1690077460 PBRGKYLRYNMSIR-MHECFPHRSA-N 472.590 2.057 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@H]2CCCO2)CC1 1690124470 LZSUVJYCDCCYCN-UXHICEINSA-N 458.607 2.327 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H](C(C)C)N2CCOCC2)CC1 1690128922 MJFOTFLGOCZQOE-QHCPKHFHSA-N 454.594 2.120 30 10 JEEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1690182982 IXLUOCGXWWEDFH-HRAATJIYSA-N 461.613 2.020 30 10 JEEE C=C(Br)Cn1c(CCc2ccccc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1690232072 YFSOYEMYWOVSJW-UHFFFAOYSA-N 489.418 2.145 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCN2CCCC[C@H]2C)CC1 1690375931 XXACPYMKROPFQD-WOJBJXKFSA-N 466.652 2.032 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC(NC(=O)c2cc(C)oc2C)CC1 1690668264 YPOGMRYWDCUCCP-UHFFFAOYSA-N 463.542 2.251 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 1690675915 JLMIXWDBQDZYTG-GOSISDBHSA-N 485.520 2.383 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3nn(CCC)c(=O)c4ccccc34)n2CCC(=O)N(C)C)C1 1690696712 HRDFFQHQAOFWJO-SFHVURJKSA-N 479.585 2.325 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCc2c(ncn2-c2ccc(C)cc2)C1 1690714900 YBQHWPHOFAJIIV-UHFFFAOYSA-N 497.625 2.074 30 10 JEEE COc1cc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CC2([S@](C)=O)CC2)cc(OC)c1OC 1697251800 CKYMSMRJJUSREY-CGKQSPDFSA-N 463.535 2.324 30 10 JEEE COCCN(C)CCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@@](F)(C#N)C1 1698025537 HXEGMJYLQXNIQN-JOCHJYFZSA-N 454.510 2.004 30 10 JEEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(NC(=O)C(C)C)CC1 1705530864 XPHSXLXILPAKNQ-UHFFFAOYSA-N 471.631 2.393 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1CCCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1705563172 RWNQLCFMLVCZOJ-HXUWFJFHSA-N 498.609 2.184 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CC1(C)CCOCC1)[C@H]1CCS(=O)(=O)C1 1705563239 TWPHYNSTDZSJBX-KRWDZBQOSA-N 463.991 2.437 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1cc(F)ccc1SC)[C@H]1CCS(=O)(=O)C1 1705566797 QCHDPDXDSKOUPH-QAPCUYQASA-N 464.588 2.318 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CC1CCN(C(C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1705567815 ADGPNHDXZBBBQU-JOCHJYFZSA-N 499.637 2.051 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1CC1(OC)CCCC1)[C@H]1CCS(=O)(=O)C1 1705569337 CDRPLKOSCAGTNI-FQEVSTJZSA-N 472.611 2.463 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3CC)n2CC2(C(=O)NCC)CCC2)CC1 1705642923 MMXXYSLHGLMYDZ-UHFFFAOYSA-N 464.614 2.481 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1705700350 SCQLLZIPOPHWHS-GHTZIAJQSA-N 474.631 2.490 30 10 JEEE C=C(C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1705725030 GJLCKJKWUQVNCK-QZTJIDSGSA-N 487.605 2.441 30 10 JEEE C=CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](C(=O)OC)C1)c1ccccc1 1705795490 LAYXFSBSOCUNQW-QRQLOZEOSA-N 461.588 2.248 30 10 JEEE C=CCCOCCn1c(-c2ccccc2F)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1705827937 VZMJZCCUMMOKJF-LJQANCHMSA-N 456.522 2.444 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(Cc2cccc(F)c2)CC1 1705938843 KYGVRNRQBRCCPF-HXUWFJFHSA-N 463.579 2.192 30 10 JEEE CCOc1c(Cl)cc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)cc1OC 1710495653 BCEPYUDXGUKXPR-GOEBONIOSA-N 460.922 2.067 30 10 JEEE N#Cc1ccc(CN2CCCN(c3nnc(-c4cccnc4)n3CC(=O)NCC(F)F)CC2)cc1 1712880780 GXZLXPANWMFEFB-UHFFFAOYSA-N 480.523 2.305 30 10 JEEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1722321380 DMRGUIOFSXVPTQ-UHFFFAOYSA-N 455.563 2.305 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1CC1(S(C)(=O)=O)CCCC1 1722427247 SGSBVZCQNVPGQT-HXUWFJFHSA-N 474.583 2.234 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)Oc2ccc(OC)cc2)CC1 1722432058 RMTOXRUJERUUJB-IBGZPJMESA-N 475.553 2.157 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@]2(O)CCO[C@H]2C)CC1 1722435327 GMQMCSMHTMNCMI-UQBPGWFLSA-N 469.586 2.036 30 10 JEEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2C[C@@](O)(c2ccccc2)C(F)(F)F)CC1 1722439582 HZOKOTUSYJGFCE-HSZRJFAPSA-N 470.499 2.469 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2nc(C)cc(OCC)n2)CC1 1722493124 FYGLJWPGLBWFHL-TZIWHRDSSA-N 498.632 2.221 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1722496212 WCXLJKWZDGHLLI-LEWJYISDSA-N 470.599 2.270 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CCc2ccccc2)nnc1N1CCN(CCOC)C(=O)C1 1722504651 OGHACBLPOWUIKZ-ZJSXRUAMSA-N 453.587 2.340 30 10 JEEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)NC2CCCCC2)CC1 1722523396 RMLYVWIQNZYSKX-KRWDZBQOSA-N 464.636 2.357 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1722588451 SUJQYBMISQOMGY-IBGZPJMESA-N 487.626 2.451 30 10 JEEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1722603251 HJMCJBXWPKDMMF-TZIWHRDSSA-N 480.679 2.278 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)C1CC1 1722660306 RPHWGDSWCOQTAO-NFBKMPQASA-N 493.605 2.104 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1722693478 PKAGLXQGEOWQLE-KRWDZBQOSA-N 476.528 2.007 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(C(N)=O)cc2)C1 1722720105 GUYMERNICABQBA-GOSISDBHSA-N 466.567 2.198 30 10 JEEE CC(C)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1)NC(=O)OC(C)(C)C 1723121995 GOSRNFNKXIPVLP-MSOLQXFVSA-N 480.635 2.469 30 10 JEEE CC(C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC[C@H](O)C2)CC1 1723652046 FGENXUHFAJPNNO-UNMCSNQZSA-N 465.602 2.014 30 10 JEEE C[C@@H]1COCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](CC(N)=O)C1 1726740329 FUJNMHSVDOAINO-RLLQIKCJSA-N 452.559 2.493 30 10 JEEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCN(C(C)=O)C2)C[C@@H]1C 1730788339 FQOFCVPIFBIHKB-UGKGYDQZSA-N 465.602 2.232 30 10 JEEE CS(=O)(=O)CCn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@@](F)(C#N)C1 1731006887 DCFJXTJEOVDKEY-MRXNPFEDSA-N 460.304 2.333 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1(CS(C)(=O)=O)CC1 1740561892 GPWXTEXQVGOPIY-ZACQAIPSSA-N 465.620 2.332 30 10 JEEE C#CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1740579037 JULLIWGWKWWEOZ-OAQYLSRUSA-N 464.570 2.388 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCOCc1ccccc1)[C@H]1CCS(=O)(=O)C1 1740625200 OUXBFNZUXNJMBU-NRFANRHFSA-N 485.635 2.477 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1csc(COC)n1 1740652497 BIMVUHRSXPEEOM-UHFFFAOYSA-N 473.562 2.306 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 1740678880 VBGKJMJEKLMIHB-IBGZPJMESA-N 474.606 2.247 30 10 JEEE C#CCN(CCOC)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc2nsnc2c1 1740680166 TUBXMQVPZRSVIM-JOCHJYFZSA-N 456.572 2.458 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H]1CCCN(C(C)=O)C1 1740681793 VMRDBDNOMIOSMO-LJQANCHMSA-N 455.559 2.307 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCC(=O)N2CCOCC2)CC1 1740690035 GAXXKQBEZKAPMR-LJQANCHMSA-N 487.004 2.076 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1740756899 LLUKRNNPFBRPLY-ZJOUEHCJSA-N 458.607 2.294 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)Cc1c(C)nn(C)c1C 1740950877 LFAWIVLGGDHEFM-UHFFFAOYSA-N 464.574 2.436 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCC(C)C 1740959718 DBSHRGXIIOHSHB-QGZVFWFLSA-N 450.584 2.371 30 10 JEEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1740962981 VTMLMRMLPOOJFZ-KRWDZBQOSA-N 480.535 2.447 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](NC(=O)CCC)C1 1740988970 VMIXELAYKLFQOE-KRWDZBQOSA-N 481.022 2.479 30 10 JEEE CCN(CC)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCOC2)CC1 1746047558 HTYJKJWAWRBQOR-OAQYLSRUSA-N 465.602 2.234 30 10 JEEE CO[C@@](C)(Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1)C1CC1 1748367548 DAHVTFVEUZAHPG-JPYJTQIMSA-N 472.615 2.397 30 10 JEEE C#CCN(c1nnc([C@@H](CC)c2ccccc2)n1CCCN1CCOC1=O)[C@H]1CCS(=O)(=O)C1 1748805072 NTHWDTBDILHMRI-SFTDATJTSA-N 485.610 2.289 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@](C)(O)CCC(C)C)[C@H]1CCS(=O)(=O)C1 1748814219 BEVQBSMGRFKXIJ-CNNODRBYSA-N 452.621 2.334 30 10 JEEE C#CCN(c1nnc(CSc2ccccc2OC)n1C[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1748825135 VUQFYVUSVCSUHM-ZWKOTPCHSA-N 476.624 2.242 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC2([S@](C)=O)CC2)CC1 1748991233 UBJALXXFMVMRJG-WAUFSOIDSA-N 490.674 2.059 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@@H](COC)OC)CC1 1749003635 QEAKNGSYXGRCDX-HNNXBMFYSA-N 496.431 2.396 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2cccc(NC(C)=O)c2)CC1 1749011015 XZIYDGSVWJXGDY-OAQYLSRUSA-N 464.570 2.145 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2CC[C@@H]2CCOC2)CC1 1749019334 SIDBPGRHSINFMU-GOSISDBHSA-N 455.534 2.389 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccnc2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1749126711 GDNJDPDJJMYLHT-GMAHTHKFSA-N 467.618 2.312 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1749141332 ANCSDLDUOBNESM-WPVAHCMFSA-N 463.579 2.260 30 10 JEEE C=C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC[S@@](=O)CC)CC1 1749293430 NBDWMKQCTNWEDJ-LJAQVGFWSA-N 451.618 2.120 30 10 JEEE C=CC1CCN(c2nnc(-c3cc(Br)cn3C)n2CCS(=O)(=O)N(C)C)CC1 1749330776 NATXYTZQJUZWNZ-UHFFFAOYSA-N 471.425 2.340 30 10 JEEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)Cc2cccc(OC)c2)CC1 1749409659 YTHGZEBWSLHCQG-UHFFFAOYSA-N 454.575 2.282 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCC=C(Br)C1 1749676449 QOJMYVAWWHNPQF-UHFFFAOYSA-N 456.348 2.308 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCN(CC(F)(F)F)CC1 1749730050 YEQQRFDPZPNSLW-UHFFFAOYSA-N 461.485 2.369 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H](C(C)C)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1760186957 BKPVIUIBVRLDQJ-SFTDATJTSA-N 456.616 2.087 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3)n2CCN2CCOC[C@@H]2C)CC1 1760255084 BNBXZGJXNNVTSG-SFHVURJKSA-N 473.419 2.184 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCN2CCCC[C@@H]2CC)CC1 1760257308 TUSGKWJTNXHXJV-WIOPSUGQSA-N 458.651 2.338 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCOc2ccc(F)c(F)c2)CC1 1760271169 OHDYGXDNJQEBMP-UHFFFAOYSA-N 497.550 2.463 30 10 JEEE C=C(C)COCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1760352783 YBQNKDXSKMQHTQ-LJQANCHMSA-N 496.033 2.468 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CCCCS1(=O)=O 1760477702 IBNSNBOKWMPLHI-VQTJNVASSA-N 473.599 2.398 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H]2C[C@H]1CO2)C(C)C 1760490008 OIRRHABNSCSZKT-IVAOSVALSA-N 463.648 2.246 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C2CCCC2)CC1 1760518433 VBGOSOOEAMQXIH-UHFFFAOYSA-N 454.575 2.329 30 10 JEEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCCN(Cc2ccc(OC)cc2)C(=O)C1 1760524011 NBJNEWPVKHQFEI-UHFFFAOYSA-N 452.559 2.095 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1760526444 OKIKSCIGKGIBPH-UHFFFAOYSA-N 489.580 2.134 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1760528052 QSLJDDOSCDEDBT-GOSISDBHSA-N 467.599 2.058 30 10 JEEE CC(=O)N(C)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCC(O)CC2)CC1 1760577368 GZVOYLAPEIWWGY-UHFFFAOYSA-N 495.628 2.023 30 10 JEEE C[C@@]1(C#N)CCCN(c2nnc(C(=O)Nc3ccccn3)n2CC(=O)NCCc2ccccc2)C1 1761542068 GLYLJQJEQVIUOJ-VWLOTQADSA-N 472.553 2.414 30 10 JEEE COc1cc(OC)cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@]2(N(C)C)CCSC2)c1 1768388520 CNYZVZMEGSIPBQ-UGKGYDQZSA-N 458.588 2.128 30 10 JEEE O=C(/C=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 1860722221 TWBAHXSMZRGVJF-NYYWCZLTSA-N 453.436 2.407 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H](C)O)[C@H]2c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1F 1862647837 MCUSHCISFPUGOY-YBTHPKLGSA-N 488.424 2.473 30 10 JEEE COc1ccc(S(=O)(=O)CCC(=O)NC(C)(C)C(=O)Nc2ccccc2C#N)cc1OC 1866804760 WQOBNDNZBXVFCD-UHFFFAOYSA-N 459.524 2.273 30 10 JEEE CC(=O)Nc1ccc(C)c(-n2nnc(C#N)c2NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1 1870156215 BOARUBKRUVMGJE-UHFFFAOYSA-N 450.371 2.475 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)Nc2nnc(C)s2)cn1CCCN(C)C 1870572152 NXGYGUKVLPRRRV-UHFFFAOYSA-N 460.604 2.151 30 10 JEEE CCCCCCCCCCN=c1nc(N2CC(O)C2)[nH]c(=Nc2ccc3c(c2)C(=O)N(C)C3=O)[nH]1 1871632433 GJHPSBGERQZVRJ-UHFFFAOYSA-N 481.601 2.418 30 10 JEEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)[C@@H](C)Cn3cnc4c3CCCC4)CC2)CC1 1890113413 SWYZIWYDWLHHCF-QHCPKHFHSA-N 469.674 2.435 30 10 JEEE N#CC1CCN(CCNC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc(Br)cc2)CC1 1890577219 JYKWAHHLDPSAEQ-IBGZPJMESA-N 483.432 2.344 30 10 JEEE CC1=C(CO)C(=O)O[C@@H]([C@H](CO)[C@@H]2CC[C@H]3[C@@H]4C[C@H](O)[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1 2037504645 UCOUIXCKSZUAKU-RECCODHUSA-N 488.621 2.309 30 10 JEEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)N2CCC[C@H](C#N)C2)CCN1C(=O)OC(C)(C)C 2054400521 FQGKOWJFSKYNEB-MRXNPFEDSA-N 473.596 2.172 30 10 JEEE C#CCN(CC(=O)NC[C@@]1(O)C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C)C(=O)OC(C)(C)C 2068512907 ZBTQJWXUSOQIHO-DTVZVWBHSA-N 451.564 2.266 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](CNC(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)[C@@H](O)C1 2255709684 ZOWXBXGOGKPDGU-ZFWWWQNUSA-N 452.382 2.005 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)[C@@H](O)C1 2255876324 BSIZGRQSMDBXDN-KGLIPLIRSA-N 452.382 2.147 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NC2CCN(CCNC(=O)OC(C)(C)C)CC2)C1 2266482591 NKAFSHYVCXQZPC-UHFFFAOYSA-N 464.607 2.398 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](CO)[C@H](NC(=O)c2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2267241300 HFAONHGLYOXUAJ-GDBMZVCRSA-N 466.409 2.395 30 10 JEEE C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)CO1 2268710535 ITADUXAWEVAPFG-HIFRSBDPSA-N 467.397 2.083 30 10 JEEE CCc1nn(C)c(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H]3C[C@@H]32)c1B1OC(C)(C)C(C)(C)O1 2281986889 WCNTVRVGQRASBD-JKSUJKDBSA-N 460.384 2.116 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@]2(C[C@@H](NC(=O)c3csnc3B3OC(C)(C)C(C)(C)O3)CO2)C1 2282001350 ACGQBKCDRHPBLV-PEBXRYMYSA-N 479.408 2.341 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C 2282005404 PKUWABFTXDEAFQ-GJZGRUSLSA-N 462.400 2.449 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@H]2CCN(C(=O)c3sncc3B3OC(C)(C)C(C)(C)O3)C[C@H]21 2282020461 YSIFNAAWZMMDBZ-CVEARBPZSA-N 479.408 2.293 30 10 JEEE Cc1nn(C)c(C(=O)N[C@H]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2282057705 KNFJMBKXSVENKX-CVEARBPZSA-N 462.400 2.451 30 10 JEEE C[C@@H](CCCN(C)C(=O)OC(C)(C)C)NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282339476 VADCXOOXNRIGLQ-HNNXBMFYSA-N 486.444 2.033 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@]12CC[C@@H](CN(C(=O)OC(C)(C)C)C1)C2 2282535145 KHQHPUFOYFZSEB-IQMFZBJNSA-N 460.384 2.239 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC[C@@H]2[C@@H]1CCN2C(=O)OC(C)(C)C 2282535680 RPBKGWGXHWHOEM-SJORKVTESA-N 460.384 2.333 30 10 JEEE C[C@@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)C[C@@H]1CCNC(=O)OC(C)(C)C 2282541141 TUPVDKDDNWUHOU-CVEARBPZSA-N 462.400 2.342 30 10 JEEE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1N(C)C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282550194 VUEZBCMHTQAAEN-RDJZCZTQSA-N 462.400 2.437 30 10 JEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NCC[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 2282566427 YHNDGMQNOPXNTP-QHCPKHFHSA-N 464.368 2.379 30 10 JEEE CON(C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)C1CCN(C(=O)OC(C)(C)C)CC1 2282627914 KPSRDJPWAOHNOZ-UHFFFAOYSA-N 462.356 2.179 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@@H]1CN(CCO)C(=O)c1ccoc1B1OC(C)(C)C(C)(C)O1 2282633770 CRXXNGASNRMESO-MRXNPFEDSA-N 464.368 2.413 30 10 JEEE CC(C)(C)OC(=O)NCc1ncc(NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)cn1 2282669677 AFLUKFXSRQFMRJ-UHFFFAOYSA-N 455.324 2.448 30 10 JEEE COC[C@@H](ONC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccccc1B1OC(C)(C)C(C)(C)O1 2283966498 VOKRBQDRSHORKW-GOSISDBHSA-N 464.368 2.416 30 10 JEEE CC(C)(C)OC(=O)N[C@]12CO[C@](C(=O)Nc3ncc(B4OC(C)(C)C(C)(C)O4)cc3F)(C1)C2 2284061260 CRBAEBVULQYMRN-HZCBDIJESA-N 463.315 2.285 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)NC[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 2285205923 TYOXQIANOHHYQR-OAQYLSRUSA-N 495.385 2.457 30 10 JEEE COc1ccc(C(O)=C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccccc2OC)cc1 2296082829 WQKUPPYMONIKPM-JOCHJYFZSA-N 452.507 2.458 30 10 JEEE COCCN1C(=O)C(=O)C(=C(O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@@H]1c1ccc(C)cc1 2297743241 FHOYWTPUMNKMAH-FQEVSTJZSA-N 458.536 2.313 30 10 JEEE C=CC1(N[C@@]2(C(=O)O)C[C@@H](OC)CN(C(=O)OC(C)(C)C)C2)CN(C(=O)OC(C)(C)C)C1 2325157615 YWQVYIIGSGYPJB-QRQCRPRQSA-N 455.552 2.231 30 10 JEEE COc1ccc(C(C)=NNc2nc3c(c(O)nc(=O)n3C)n2C[C@H](O)COc2ccc(C)cc2)cc1 2327754115 YUOHGCVCCYQKPX-SFHVURJKSA-N 492.536 2.429 30 10 JEEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@@H](NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)[C@@H]2F 2359268181 YKQXAQUCTBOWKH-OJLVUWQFSA-N 464.347 2.317 30 10 JEEE COC[C@@]1(C)C[C@@H](NC(=O)OC(C)(C)C)CN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2364215859 XKHJYUSGOONWEB-WAIKUNEKSA-N 463.384 2.458 30 10 JEEE COc1cc(/C=N/Nc2nnc(SCC(=O)Nc3ccc(F)cc3F)n2N)cc([N+](=O)[O-])c1O 21326771 FPQGEDUKTZGHIK-QPJQQBGISA-N 494.440 2.069 30 10 JEEE C=CCn1nc(C)c(/C=N/Nc2nnc(SCC(=O)Nc3ccccc3[N+](=O)[O-])n2N)c1C 59829868 JJEOCBZYKFQCNR-UFFVCSGVSA-N 470.519 2.076 30 10 JEEE O=C(CCSc1nnc(N/N=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)[nH]1)NCc1ccco1 253578300 YEAFBPVLDMJBDE-DJKKODMXSA-N 460.432 2.459 30 10 JEEE Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCN(c4ncccc4C#N)CC3)C2)cc1 506085081 IISNTTCUKCOZLO-HXUWFJFHSA-N 453.568 2.011 30 10 JEEE COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1-c1ccc(Cl)cc1 590974721 FPEZREITNJFYOM-HNNXBMFYSA-N 453.951 2.207 30 10 JEEE COC(=O)c1ccc(C=NNc2nc(SCC(=O)NCc3ccccc3OC)n[nH]2)cc1 1084429450 SHEURZQMMJDOEL-UHFFFAOYSA-N 454.512 2.454 30 10 JEEE C=CCOC[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@H](C)C2)c1)C(=O)OC 1155779369 KXBLEVFPWQKCAA-WMLDXEAASA-N 458.964 2.235 30 10 JEEE COC(=O)C1=C(Cn2cc(Br)cc(C#N)c2=O)N(C)C(=O)N[C@H]1c1ccccc1 1166278182 DEOFWWVEUQRBSL-KRWDZBQOSA-N 457.284 2.306 30 10 JEEE C#CCC1(O)CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)c2)CC1 1175853747 HWBAPAMCSIEXHX-HOTGVXAUSA-N 454.976 2.128 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CCC[C@@H]1NC(=O)NC1=O 1286281163 DKBNLMJBBOQTMJ-WFASDCNBSA-N 475.347 2.162 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1286298090 FMRLEIPNFDEXFA-GHTZIAJQSA-N 490.587 2.393 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@@](C)(O)c1ccco1)[C@H]1CCS(=O)(=O)C1 1286381237 FRSLMEQGWOOYRO-FDDCHVKYSA-N 470.551 2.081 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@@H]1CCCN1CCC)[C@@H]1CCS(=O)(=O)C1 1286385486 XSYHYFUEKMTNBQ-LEWJYISDSA-N 471.627 2.455 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H](C1CCCCC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1286387674 TXQIZJJRMSXBMR-IFMALSPDSA-N 470.643 2.477 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2C[C@](C)(O)C(C)C)CC1 1286492404 KFAKDBGANOTLLI-DEOSSOPVSA-N 457.550 2.369 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@](C)(O)c2ccco2)CC1 1286494113 ZUWMHPYJQMMASJ-VWLOTQADSA-N 481.528 2.463 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(Cc2ccc(OC)cc2)C(=O)C1 1286606294 LSEFHSUBISFIIN-NRFANRHFSA-N 482.585 2.069 30 10 JEEE C=CCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC[C@H](NC(=O)CC)C1 1286776476 ABDHJAIQLBQHDJ-NRFANRHFSA-N 451.619 2.324 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(Cc1cccc(F)c1)C1CC1 1286814010 HTSKLXGMVNLFQW-UHFFFAOYSA-N 461.563 2.423 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 1286818840 QBDNIYHBSIEIPP-SFHVURJKSA-N 474.631 2.318 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCN(c2nccnc2C)CC1 1286821166 CJYMVTIADNIOIJ-UHFFFAOYSA-N 485.589 2.034 30 10 JEEE CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1294287065 FKBMRVLBLJFFOZ-UHFFFAOYSA-N 485.570 2.169 30 10 JEEE CCN(CC)[C@@H](C)Cn1c(-c2cccn2C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1295369213 AXRXMZKIWPXMAF-RBUKOAKNSA-N 462.606 2.391 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCN(C)[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1300484067 QZHSKMDRAUFXDE-RDJZCZTQSA-N 497.463 2.393 30 10 JEEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@H](CC)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1300501761 NJBBGXIVBACKRJ-PZJWPPBQSA-N 469.611 2.221 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1nccc(C(F)F)n1 1300511537 KSTOKGYJIQKFHA-UHFFFAOYSA-N 485.520 2.044 30 10 JEEE C#CCN(CC#CC)c1nnc(Cc2ccccn2)n1CCOc1ccc(S(C)(=O)=O)cc1 1300587270 QUVVJWYTXPFPOT-UHFFFAOYSA-N 463.563 2.209 30 10 JEEE C#CCN(CCOC)c1nnc(Cc2ccc(F)cc2)n1CC1(NC(=O)OC(C)(C)C)COC1 1300673394 KOJLPYSCTFCDFX-UHFFFAOYSA-N 473.549 2.388 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC[C@@H]2CCCCO2)CC1 1300716816 RQYJAEPARXBIDC-SQJMNOBHSA-N 473.618 2.244 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(N2CCCCC2)CC1 1300991382 RSMSTELZNVDFKT-IBGZPJMESA-N 451.637 2.228 30 10 JEEE C=C(C)COCCn1c([C@H]2CCCO2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1301001850 OLLLBCXCBYVUFQ-NHCUHLMSSA-N 454.575 2.071 30 10 JEEE C=CCCCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1301185800 KWFWAZBYZOKYJM-MRXNPFEDSA-N 464.592 2.128 30 10 JEEE C=CCN(C)c1nnc(CN2CCCC2=O)n1C[C@@H]1C[C@@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1301305486 ZMLZGZFXDQQBFH-SQNIBIBYSA-N 460.579 2.047 30 10 JEEE C=CCN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1CCS(=O)(=O)C1)C1CC1 1301313057 VMYXQOCTWUVSBD-MRXNPFEDSA-N 463.991 2.451 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1301490178 MJWUKLBBGOBLLG-JOCHJYFZSA-N 451.619 2.026 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N(C)C[C@@H]1CCOC1 1301493447 ZBPOHJYEXCTRKY-AWEZNQCLSA-N 464.364 2.491 30 10 JEEE CC(=O)N1CCC(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(CCC#N)CCC(C)C)CC1 1301673933 FIBUYPWTQOZBLI-FQEVSTJZSA-N 464.636 2.205 30 10 JEEE COCCN(C)S(=O)(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC(F)(F)F)C1 1316072000 FWBKZAJJMWOTCG-QGZVFWFLSA-N 486.520 2.256 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1cn2ccsc2n1 1358877196 YQZXEIAXORNFBJ-HNNXBMFYSA-N 469.596 2.411 30 10 JEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1358922961 XUPCFSRVUFVTBT-UHFFFAOYSA-N 472.615 2.346 30 10 JEEE C#CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN2CCOC[C@@H]2C1 1358928787 KSVOHWSLVKXDHA-UXHICEINSA-N 458.607 2.327 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@@H](C)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1358958023 FWGXPBRGINOGEG-UYAOXDASSA-N 459.616 2.311 30 10 JEEE C#CCN(c1nnc(CC)n1CC[C@H]1CCN(C(=O)OC(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1 1358964246 WIKCDJXZHMCXEK-MSOLQXFVSA-N 465.620 2.114 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(OC)nc1OC 1359016794 MBBLYUFOKOFOLT-LJQANCHMSA-N 464.501 2.469 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@@](C)(O)C2CC2)CC1 1359041852 KPTQFRCYLNWOBX-AREMUKBSSA-N 497.596 2.098 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1359089112 BRSKROLBFMSKNC-JSXRDJHFSA-N 460.623 2.041 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC)cc2)nnc1N(C)CC(=O)N1CCOCC1 1359094432 AYEWVAWEESTEQM-UGKGYDQZSA-N 455.559 2.230 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](c2nccs2)C1 1359294257 OZQOKABEGUJTHZ-MRXNPFEDSA-N 455.500 2.190 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCNC(=O)c2cccc(C)c2)C1 1359311621 DXHPCCCFJFVGOQ-HXUWFJFHSA-N 475.553 2.445 30 10 JEEE COC(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1OC 1459734613 BOCUOIWRKXNJDU-UHFFFAOYSA-N 457.508 2.393 30 10 JEEE C=CCN(C(=O)c1cnn([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1)[C@@H]1CCS(=O)(=O)C1 1464402649 UKKXBZVLHQQTDH-QZTJIDSGSA-N 452.577 2.270 30 10 JEEE C=C(C)CN1CCC(NC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c2ccccc2Cl)CC1 1464910208 UVVHRMUJUJESSG-LJQANCHMSA-N 456.008 2.030 30 10 JEEE C#CCN(C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1479102974 OXCGXLAUJIOMTN-PZUNEJSGSA-N 481.618 2.495 30 10 JEEE CCC[C@H](C)NC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N(C)C)C1 1500077142 AVIYJDLJWNWISD-FXAWDEMLSA-N 451.575 2.426 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](Oc2ccccc2)C1 1507589424 WWBVFGVVIMHEAM-LEWJYISDSA-N 473.599 2.072 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@@](C)(O)C(C)C)[C@H]1CCS(=O)(=O)C1 1507627033 IAANCUHITOTVLN-OXJNMPFZSA-N 451.980 2.027 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@](C)(O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1507627587 KLPPDIBNMFSMFC-VGOFRKELSA-N 479.002 2.395 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCC1CCN(CC)CC1)[C@@H]1CCS(=O)(=O)C1 1507635475 SLILUCFGYNRYQN-OAQYLSRUSA-N 490.699 2.383 30 10 JEEE C#CCN(c1nnc(COCC)n1Cc1cccc(NC(=O)C2CCC2)c1)[C@@H]1CCS(=O)(=O)C1 1507638185 PDZNNIHNISDNKR-OAQYLSRUSA-N 485.610 2.228 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2CCN2CCOCC2(C)C)CC1 1507739232 CJKTVLXRZXOIPY-UHFFFAOYSA-N 470.643 2.007 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CC(C)(C)N2CCC(OC)CC2)CC1 1507739686 UHAOMTDJMVQQEA-JOCHJYFZSA-N 486.661 2.375 30 10 JEEE C=C(Cl)Cn1c(-c2cccc3cccnc23)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1507860439 OZLRYCMCFMJQLF-UHFFFAOYSA-N 467.961 2.419 30 10 JEEE C=CCN(CCOC)c1nnc(C(=O)NC(C)C)n1C[C@@H]1C[C@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1508036844 ROWNQSDQGQJDPE-FHWLQOOXSA-N 492.621 2.080 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCc1ccccc1OC(F)F 1510187935 AZPDSFVHGSXMMK-BFUOFWGJSA-N 472.493 2.174 30 10 JEEE C[C@@H]1C[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCCN(S(C)(=O)=O)CC2)CCO1 1512012391 AVRJRDWNEXBQSS-IEBWSBKVSA-N 458.588 2.104 30 10 JEEE C[C@@H]1OCC[C@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1512577688 HKSDSFZRDBQBER-SZUKKWSHSA-N 498.584 2.087 30 10 JEEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1Cc1ccc(OCCN(C)C)cc1 1513915648 BBWXSHITIZHWEP-UHFFFAOYSA-N 477.617 2.069 30 10 JEEE N#Cc1ccc(N2CC[C@@H](C(=O)N3CCCN(S(=O)(=O)c4ccccc4)CC3)C2)c(F)c1 1518273575 BMGWLLLNDRUFCD-LJQANCHMSA-N 456.543 2.447 30 10 JEEE C=CCOc1ccc(/C=C/C(=O)N2CC(=O)NCC23CN(C(=O)OC(C)(C)C)C3)cc1OC 1534017643 FYTXHBTVRNZRKR-CSKARUKUSA-N 457.527 2.221 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1538976294 KAEWBOUJUAMVBF-ABSDTBQOSA-N 459.513 2.041 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCOc1ccc(S(C)(=O)=O)cc1 1538977054 SHPHHXMSNYFDLH-FDDCHVKYSA-N 476.599 2.259 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H](C)CN1CCCC1 1538983836 YDNJLBWAWMGDJS-RBUKOAKNSA-N 458.632 2.385 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2CCN2CCOC[C@H]2C)c1 1539039660 DYFIUEUQWUCZBZ-LJQANCHMSA-N 459.554 2.117 30 10 JEEE C#CCN(c1nnc(-c2ccccc2F)n1CCCc1c[nH]nc1C)[C@@H]1CCS(=O)(=O)C1 1539212108 RMVCMWINTNMAFZ-GOSISDBHSA-N 456.547 2.375 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1C[C@H](C)N(C)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1539225593 PIFTZOHYRUZBHK-SIKLNZKXSA-N 455.628 2.378 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2CC2CCN(C(=O)OC)CC2)CC1 1539461748 KHPVCFRVFIXWFD-UHFFFAOYSA-N 470.549 2.230 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@H]2COCCO2)CC1 1539474724 XPRVJHJTFFSVKJ-KRWDZBQOSA-N 461.925 2.119 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1539624543 UFALCJBCXPKRQT-FYYLOGMGSA-N 463.586 2.008 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N(C)CCNS(=O)(=O)c1ccc(C)cc1 1539626197 BNXGQLXVYPVTCB-KNQAVFIVSA-N 497.625 2.439 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCN(C)C(=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1539643903 YDZTTZORDAYHGG-GNBUJSLZSA-N 474.606 2.308 30 10 JEEE C=C(C)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1539708016 ZQXHIZYLSQLIMD-UHFFFAOYSA-N 478.525 2.363 30 10 JEEE C=CCN(Cc1cccs1)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1540140218 RKYXNHBQVAZPDK-KRWDZBQOSA-N 478.644 2.050 30 10 JEEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1540854726 ADLNIXDBFNXMAU-KRWDZBQOSA-N 461.588 2.156 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1540872252 HZZWKHNFSGWONQ-HXUWFJFHSA-N 464.574 2.230 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1540903299 CLVJYIORABCHJY-JPYJTQIMSA-N 478.590 2.383 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCC[C@H](c3ccnn3C)C2)nnc1[C@]1(OC(C)C)CCOC1 1540908844 PBXRCEKOCBORLQ-CVDCTZTESA-N 492.646 2.037 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1cn(C2COC2)nn1 1587679263 YZPDFYZQOGYDFO-QAPCUYQASA-N 456.551 2.019 30 10 JEEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1587818317 VBKRCORFHPCDJZ-UHFFFAOYSA-N 497.596 2.460 30 10 JEEE C#CCCCn1c(N2CCN(C(=O)Cc3cccc(OC)c3)CC2)nnc1[C@]1(OCC)CCOC1 1587894217 QFKMJGVSOOYJJC-SANMLTNESA-N 481.597 2.244 30 10 JEEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCCN1CCN(c2ccccc2)CC1 1588025340 XCCGJLPXUXBWGE-GMAHTHKFSA-N 452.603 2.284 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1C[C@@]1(C)CCCO1)[C@@H]1CCS(=O)(=O)C1 1588034052 APGDKQJCKRDWKK-OXQOHEQNSA-N 496.431 2.242 30 10 JEEE C#CCN(c1nnc(-c2cn(C)c3ccccc23)n1CCC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1588050658 UHNCFUKQWHLXDA-QGZVFWFLSA-N 455.584 2.225 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1588064646 MKEHHWNAVUEQJA-LJQANCHMSA-N 463.629 2.077 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CCNC(=O)c2cccs2)CC1 1588947464 QESUTUFEQGBMJJ-UHFFFAOYSA-N 494.596 2.465 30 10 JEEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(c2nccs2)CC1 1594566696 JPYLDFZSGQELKC-INIZCTEOSA-N 453.638 2.418 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCN1C1CCCCC1 1594963115 QKNGWKOEDMICBV-UXHICEINSA-N 466.652 2.030 30 10 JEEE C=CCn1c(N2CCN(C(=O)c3ccccc3OCC)CC2)nnc1[C@]1(OCC)CCOC1 1595453497 XWIGKGNJECYVFU-DEOSSOPVSA-N 455.559 2.477 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 1595530117 TYCMRYWTNQMOOU-SFHVURJKSA-N 465.602 2.426 30 10 JEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1595569922 RDENZJBUUUOYOV-LJQANCHMSA-N 486.621 2.135 30 10 JEEE CC(=O)N1CC[C@@H](CN(C)c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCOC2)C1 1596005532 FKECBHIZDHFWSH-SFTDATJTSA-N 452.559 2.460 30 10 JEEE C#CCN1CCCN(C(=O)Cc2csc(NC(=O)c3ccc(Br)o3)n2)CC1 1618029827 INZSLZNZABXBAO-UHFFFAOYSA-N 451.346 2.461 30 10 JEEE N#C[C@H](c1ccccc1)N1CCN(S(=O)(=O)C2CN(C(=O)c3cccc(Cl)c3)C2)CC1 1621610107 BYFQBMWKCBDVFJ-OAQYLSRUSA-N 458.971 2.377 30 10 JEEE C=CCOc1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(Cl)cc2)cc1 1627150648 MBIUKZBPGPOSGA-XLIONFOSSA-N 450.944 2.345 30 10 JEEE C=CCC[C@H](NC(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1)C(=O)OCC 1627752803 VDNRSVRTDICKLD-AWEZNQCLSA-N 454.453 2.374 30 10 JEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1cc(C)n(Cc2ccc(S(N)(=O)=O)cc2)c1C 1644595464 BNAHWUUUXCFWKJ-UHFFFAOYSA-N 459.568 2.218 30 10 JEEE C#CCCCn1c(N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1689941830 VLSIJURHBUPYSX-GJZUVCINSA-N 480.613 2.081 30 10 JEEE C=C(Br)Cn1c(Cc2ccncc2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1690230960 WMVLXEVSLYJXKL-OXJNMPFZSA-N 488.434 2.161 30 10 JEEE C=C(Br)Cn1c(Cc2ccncc2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1690230961 WMVLXEVSLYJXKL-OXQOHEQNSA-N 488.434 2.161 30 10 JEEE C=C(C)COCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1690312681 AKPZMDMRALTYSW-XLIONFOSSA-N 462.572 2.397 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2csc(CC)n2)CC1 1690375995 ZQGQZAHFVXBUFA-KRWDZBQOSA-N 466.633 2.029 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC(C(=O)c3ccc(O)cc3)CC2)nnc1[C@]1(OCC)CCOC1 1690677130 ODXWDGOFALADGI-VWLOTQADSA-N 483.569 2.037 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCN(C(=O)C(C)C)CC1 1690718059 ZROPSYLPFOUOOD-UHFFFAOYSA-N 490.586 2.149 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@@H](C(C)C)C1 1690719417 LWYMMIYSPHSNBT-GOSISDBHSA-N 456.576 2.004 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@@H]1C(C)C 1690722186 ALTOPGIQJMUVQE-GOSISDBHSA-N 480.660 2.464 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCC[C@H](S(C)(=O)=O)C2)nnc1C1(c2ccccc2)CCC1 1690731158 BIBCOXYNOPIQBS-FQEVSTJZSA-N 492.667 2.362 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCO[C@H](c3ccco3)C2)nnc1[C@]1(OC(C)C)CCOC1 1690732046 UINVROPRDPQFIG-UGKGYDQZSA-N 480.587 2.090 30 10 JEEE CCN(c1nnc(COc2ccc(C#N)cc2)n1Cc1cc(C)no1)[C@H]1CCS(=O)(=O)C1 1695567882 FAEONWABZADZQJ-KRWDZBQOSA-N 456.528 2.087 30 10 JEEE CO[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1)C(C)(C)C 1697190848 CVSKEQMBMVKLDW-LEWJYISDSA-N 470.574 2.131 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CC1(OC)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1705558677 DYSYHZKXRIKXSL-LJQANCHMSA-N 479.647 2.173 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H](C)c1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1705572385 ZOENYWBHORFGRS-QTWZMDIBSA-N 491.614 2.037 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1CCN(CC(F)(F)F)CC1 1705576570 NBIJHLDIGKNDSE-UHFFFAOYSA-N 483.502 2.268 30 10 JEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1705664566 SRGKZMDTWIIFQP-HDICACEKSA-N 474.631 2.070 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccc2C)nnc1N1CCN(S(C)(=O)=O)CC1 1705701401 GCTUYMNRPNLRMC-IRLDBZIGSA-N 459.616 2.240 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCN(CC(F)(F)F)C1 1705709602 BQHBBKROERPRRP-LSDHHAIUSA-N 452.547 2.175 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1705792078 LVRIDPLVUHNSSS-XMSQKQJNSA-N 451.637 2.084 30 10 JEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2cccc(F)c2)CC1 1705830008 IAHBNTCXTJJICT-FQEVSTJZSA-N 477.606 2.234 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCC(S(=O)(=O)CC)CC2)cc1 1705909681 FAKUNVJHHXHSLT-UHFFFAOYSA-N 475.615 2.433 30 10 JEEE Cc1cc(C)n(Cc2nnc(N3CCCN(c4ccccc4C#N)CC3)n2CCC(=O)N(C)C)n1 1707830950 FFGRUULZJAOWNI-UHFFFAOYSA-N 475.601 2.206 30 10 JEEE CC[C@H](C)c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CCCn1cc(CO)nn1 1708554946 DFFVLJZDQRLDLX-UWJYYQICSA-N 450.547 2.415 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@H]1CC(=O)N(CCOC)C1 1722294891 SVOODMJMAOYCCZ-RTBURBONSA-N 491.596 2.018 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCCCNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1722360145 DQRQLENZXXCTEE-KRWDZBQOSA-N 476.603 2.205 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@H]1CCCN(C(C)C)C1)[C@H]1CCS(=O)(=O)C1 1722364043 DLKGVJYMKWVAJI-VXKWHMMOSA-N 470.643 2.011 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(C(N)=O)nc1 1722418480 RXPQGQCNBNDDOS-RUZDIDTESA-N 478.528 2.251 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2CC(F)(F)C2(OC)CCOCC2)CC1 1722438757 APJBULSFFJEZFT-UHFFFAOYSA-N 489.567 2.464 30 10 JEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](C)N(Cc2ccccc2)CC1 1722452216 RZNOWJUCACYWEE-PMACEKPBSA-N 490.699 2.356 30 10 JEEE C#CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CCN(C)C(=O)[C@@H]1C 1722453271 XEYBLRJRAQHYEK-ZDUSSCGKSA-N 451.394 2.079 30 10 JEEE C=C(C)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1722522972 PPFKOFUNFKYSHI-QGZVFWFLSA-N 485.614 2.159 30 10 JEEE C=C(Cl)Cn1c(N2C[C@H](C)[C@H](N3CCN(C(C)=O)CC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1722556572 CHAQMRGLUQDCQO-XTQVGHSUSA-N 481.041 2.060 30 10 JEEE C=CCCOCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1722628176 SRARWLSAONQADJ-FQEVSTJZSA-N 489.646 2.058 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N(C)C1CCN(C(=O)c2ccccc2)CC1 1722726576 ACVDIDZEUKPYPF-FQEVSTJZSA-N 487.626 2.124 30 10 JEEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 1722743429 YHWDFJMUTFDFQO-UHFFFAOYSA-N 472.590 2.308 30 10 JEEE CC(=O)N1CC[C@H](CN(C)c2nnc(COc3ccc(C#N)cc3)n2CCN2CCOCC2(C)C)C1 1722759712 IAFISCFHGRCLAH-JOCHJYFZSA-N 495.628 2.144 30 10 JEEE CS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](Oc2ncccc2F)C1 1731007020 DZUHDERESPQEOI-SFHVURJKSA-N 470.530 2.443 30 10 JEEE C#CCCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1740572720 UMZQRYZPUBOCLU-UHFFFAOYSA-N 473.599 2.380 30 10 JEEE C#CCCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN2C(=O)NC[C@H]2C1 1740576557 ZSRGTSZWWQXQDU-IBGZPJMESA-N 471.606 2.410 30 10 JEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OCc2ccccc2)CC1 1740591757 QQRCQEGDXLPCIS-HXUWFJFHSA-N 471.583 2.052 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCc1ccncc1)[C@@H]1CCS(=O)(=O)C1 1740618451 HYGFROUSERLIHJ-QGZVFWFLSA-N 489.399 2.300 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@H](C)N1CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1740624017 CEHVOLXHQFZUQG-RZUBCFFCSA-N 470.643 2.011 30 10 JEEE C#CCN(c1nnc(CC2CCCC2)n1CCC(=O)NC1CCCCC1)[C@H]1CCS(=O)(=O)C1 1740626020 UWYRGASTRJMGPM-NRFANRHFSA-N 475.659 2.477 30 10 JEEE C#CCN(c1nnc(COCC)n1C[C@@H](C)N(CC)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1740627704 JLQRBWXTEBSVNO-QZTJIDSGSA-N 483.635 2.087 30 10 JEEE C#CCN(CC#C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCS(=O)(=O)N(C)C 1740632082 GTUHIENHPQDAEO-UHFFFAOYSA-N 468.608 2.341 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC)n2Cc2ccc(N3CCC(CO)CC3)cc2)CC1 1740706289 VKKZCOTVVYDPHQ-UHFFFAOYSA-N 464.614 2.063 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H]2CCOC[C@H]2OC)CC1 1740707409 AZXONHGIUUVDQL-SIKLNZKXSA-N 485.560 2.014 30 10 JEEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1740712082 WKSHZWYDVRDUFM-UHFFFAOYSA-N 478.600 2.080 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccnc2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1740757113 MZWHRTSHDYAFNW-JTHBVZDNSA-N 467.618 2.312 30 10 JEEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1740943187 WGDKSKIAKYEJGM-UHFFFAOYSA-N 472.977 2.123 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N(C)CCc1ccc(Br)cc1 1740957751 ZSYOMCIMUIMYQW-UHFFFAOYSA-N 456.348 2.479 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@](C)(O)c2ccc(F)cc2)C1 1740980822 NCDWJTPXCRZJRC-DKZVUGQWSA-N 464.563 2.008 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1 1740991610 AKZOVIZSOQYMKY-OTWHNJEPSA-N 495.646 2.219 30 10 JEEE C=CCSCCn1c(C2CC2)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1741001461 UZSOHHSKBZCTNM-ZACQAIPSSA-N 483.660 2.201 30 10 JEEE CO[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1)C1CC1 1748423753 GXIWNQMZVZQSGF-FQEVSTJZSA-N 458.588 2.102 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CCNC(=O)c1cc[nH]n1 1748656707 WNPDWMYWWCVMNK-MRXNPFEDSA-N 451.531 2.352 30 10 JEEE C#CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCCN(CCC)C(=O)C1 1748711814 AMVAVNKOEKAKEW-UHFFFAOYSA-N 471.631 2.490 30 10 JEEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1748734621 JSGOXFGWUCHXIC-UHFFFAOYSA-N 476.379 2.023 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCN1CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1748809350 LISIKPMVLMPNRF-TZIWHRDSSA-N 471.627 2.312 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(O)CCC[C@H]1C 1748858659 RHCFXHDZGCTOJE-IMWIBFENSA-N 457.575 2.210 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN1CCC[C@H](C)C1 1748886518 FTHOSIOXCHMADM-FQEVSTJZSA-N 457.582 2.387 30 10 JEEE C#CCN1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCCn2cccn2)CC1 1748989898 RJVZTAFEAVXBMM-UHFFFAOYSA-N 482.633 2.435 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC(C)(C)OC(C)(C)C1 1749118046 BPKBVSWUZZOZHK-ZACQAIPSSA-N 455.625 2.263 30 10 JEEE C=C(C)COCCn1c(N2CCc3nc(O)c(C#N)cc3C2)nnc1[C@]1(OCC)CCOC1 1749240441 ZTAZDRHANANETN-QHCPKHFHSA-N 454.531 2.058 30 10 JEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccc(N3CCCC3=O)c2)CC1 1749329597 PUYLFXYHLDFPRO-QGZVFWFLSA-N 472.615 2.466 30 10 JEEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCCN(Cc2nc([C@@H](C)OC)no2)CC1 1749409622 YEGZTAVKOCYCFY-GOSISDBHSA-N 472.594 2.283 30 10 JEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 1749412193 KUYKNFFRAHIBMF-KRWDZBQOSA-N 462.624 2.095 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1749655961 VKXVWAXZHZKGQC-LJQANCHMSA-N 455.950 2.311 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC(C(=O)Nc2ccc(C)cn2)CC1 1749670878 WGTDYXPFHQCOGV-IBGZPJMESA-N 467.574 2.033 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1749676287 LEJLVDOLGZTZJD-LJQANCHMSA-N 494.600 2.264 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccccc1CN1CCC(O)CC1 1760099216 DAWPLLOKVZNDSL-FNZWTVRRSA-N 467.614 2.393 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1760099552 IITLTWOXFGNETE-GLDPYIMESA-N 468.606 2.277 30 10 JEEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](COCCOC)C1 1760154771 HZRQFQAPADIBHT-WOJBJXKFSA-N 477.606 2.489 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@@H]1CCC[C@@H]1OC)[C@H]1CCS(=O)(=O)C1 1760180868 MHGMSSRHGXYTAZ-ZJOUEHCJSA-N 458.584 2.396 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(NC(=O)[C@H]2CCCO2)c1 1760208659 HTWMADZAZDVJOR-JOCHJYFZSA-N 474.565 2.143 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](C)SC 1760249172 ISDMNGGJDWOQIV-DLBZAZTESA-N 453.609 2.424 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2ccc(OC)nc2OC)CC1 1760255235 WLDYFSNNIWZPSU-UHFFFAOYSA-N 486.374 2.251 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC2(O)CCC2)CC1 1760260299 ZCUJVWFBFBNRAD-IBGZPJMESA-N 458.607 2.063 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2Cc2cc(C)no2)CC1 1760270998 HXFCQPDGPZRPOL-UHFFFAOYSA-N 452.490 2.307 30 10 JEEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1760284901 UVJGUEVTWVJVKS-QFIPXVFZSA-N 453.660 2.235 30 10 JEEE C=C(Br)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1760303884 BLTIWBAMWJHXIE-UHFFFAOYSA-N 484.402 2.470 30 10 JEEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C1CCC2(CC1)OCCO2 1760307427 RFCTYNDVWCRNRY-AWEZNQCLSA-N 475.409 2.211 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(Cn2cc(C)cn2)CC1 1760316172 NJIYSMLTTIHHAH-TYPHKJRUSA-N 491.662 2.291 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)CCNS(C)(=O)=O 1760321044 AYBNLLPSTGWYKJ-PXNSSMCTSA-N 468.023 2.489 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1760515972 UFAJXBZVKGKJMF-AWEZNQCLSA-N 489.378 2.488 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1760519576 IULYLDNUAJLSCP-ICSRJNTNSA-N 491.596 2.163 30 10 JEEE C=CCS(=O)(=O)CCn1c(CSc2ccc(C)cc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1760558468 PSGANIDCAXBWEY-IEBWSBKVSA-N 475.640 2.194 30 10 JEEE Cc1noc(C)c1Cn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1762659723 BBJLFJSVVRXJOX-UHFFFAOYSA-N 462.558 2.263 30 10 JEEE CCOC[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCN(C(C)=O)CC2)C1 1767991790 GFFYSLFOQKZTNE-QFIPXVFZSA-N 465.602 2.234 30 10 JEEE CN(CC(=O)N1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H](c1ccsc1)N(C)C 1768586455 GFNGINOQCYGZKV-OAQYLSRUSA-N 479.610 2.476 30 10 JEEE COCCN(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1771076598 GJEWJGDGJOFRRX-FCHUYYIVSA-N 454.575 2.169 30 10 JEEE CS(=O)(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCCCC2=O)C1 1771345482 FYLOGIKLDOBLCM-FQEVSTJZSA-N 470.599 2.233 30 10 JEEE COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2CCCNC=O)cc1 1862419087 QOEHLRLZRDJCQZ-LJQANCHMSA-N 458.417 2.466 30 10 JEEE Nc1cccc(C(=O)C2=C(O)C(=O)N(CCCN3CCCC3=O)[C@H]2c2ccc(O)c([N+](=O)[O-])c2)c1 1862563208 XXFRXWWUARMVOE-NRFANRHFSA-N 480.477 2.473 30 10 JEEE O=C(O)c1ccc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2CCN2CCOCC2)cc1 1862758011 VATUHPMQZXNAPN-FQEVSTJZSA-N 481.461 2.204 30 10 JEEE C=CCOc1ccccc1[C@H]1C(C(=O)NCCNC(C)=O)=C(N)Oc2c1c(C(F)(F)F)nn2CC 1864321851 BDQCYFPLEKDCGM-MRXNPFEDSA-N 493.486 2.434 30 10 JEEE CN1C(=O)c2ccc(NC(=O)CNC(=O)C3CCN([C@@H](C#N)c4cccs4)CC3)cc2C1=O 1868145956 MEIPRPBGMIMVIK-SFHVURJKSA-N 465.535 2.005 30 10 JEEE N#Cc1nnn(Cc2cc(Cl)cc3c2OCOC3)c1NS(=O)(=O)c1ccc2nc(O)oc2c1 1870095865 WYBRUWSXKDOBNZ-UHFFFAOYSA-N 488.869 2.366 30 10 JEEE CN(C)Cc1cc(=O)c(OCC(=O)Nc2sc3c(c2C#N)CCC3)cn1CCc1cnc[nH]1 1870324671 UUVMVZGJPSUOTD-UHFFFAOYSA-N 466.567 2.315 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)OCCOC)cn1CCCCN1CCCC1 1870479116 FQKPCTSHAQMCOS-UHFFFAOYSA-N 461.603 2.467 30 10 JEEE C=CCn1c(C(=O)N2CCN(c3ccccn3)CC2)cc2c(N3CCC4(CC3)OCCO4)ncnc21 1873560982 PSBNVNBMWKKWNR-UHFFFAOYSA-N 489.580 2.318 30 10 JEEE CC(=O)NCc1nnc(SCC(=O)N[C@@H](C)c2ccccc2)n1/N=C/c1ccc(C(=O)O)cc1 1874436157 OQFMJGCQUQSXAX-FCUAXUHVSA-N 480.550 2.464 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1COCCN(C(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2255705541 WWJFCADIXMPSRF-AWEZNQCLSA-N 452.382 2.413 30 10 JEEE CC(C)(C)OC(=O)N[C@H](C(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)cs1)C1COC1 2256639821 PZKYMUGTBIXLHG-INIZCTEOSA-N 452.382 2.203 30 10 JEEE C[C@H](O)CN(CCNC(=O)OC(C)(C)C)C(=O)c1ccsc1B1OC(C)(C)C(C)(C)O1 2257634666 YHYUAHKZODVPPQ-AWEZNQCLSA-N 454.398 2.395 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCc2csc(NC(=O)OC(C)(C)C)n2)n1 2267182344 FMYGWLCRFYZEEC-UHFFFAOYSA-N 463.369 2.453 30 10 JEEE C=C(CS(=O)(=O)N=[S@](C)(=O)N1CCN(C(=O)OC(C)(C)C)CC1)B1OC(C)(C)C(C)(C)O1 2267466605 DKENAQXRRQXYRB-HKBQPEDESA-N 493.457 2.069 30 10 JEEE C[C@H](CNS(=O)(=O)c1c(F)cc(F)cc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2267468178 TUDUECQFYMOWPT-GFCCVEGCSA-N 476.351 2.456 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H]1NS(=O)(=O)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2267470394 JWEZJRAXRXYLPX-QZTJIDSGSA-N 466.409 2.461 30 10 JEEE CN(C(=O)OC(C)(C)C)[C@@H](CC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)C(F)(F)F 2268714436 KFASWMZVYODQRF-JTQLQIEISA-N 480.318 2.386 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@H](C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)C1 2268714765 LSLNSHKQCOQOHW-HIFRSBDPSA-N 467.397 2.131 30 10 JEEE Cn1cc(C(=O)N2C[C@@H](CNC(=O)OC(C)(C)C)C(C)(C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2281972384 ZVEZIBUIDHJOKK-OAHLLOKOSA-N 462.400 2.342 30 10 JEEE C[C@H]1CN(C(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)C[C@H](C)C1NC(=O)OC(C)(C)C 2281983047 XZDLYVPJLCCHRS-GJZGRUSLSA-N 462.400 2.341 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H](C)[C@H](CNC(=O)OC(C)(C)C)C2)n1 2281996186 LUEIPNIZBWFQIU-JKSUJKDBSA-N 462.400 2.435 30 10 JEEE Cc1ccnc(C(=O)NC[C@@H]2CCCCN2C(=O)C(F)(F)F)c1B1OC(C)(C)C(C)(C)O1 2282004735 LNBGYEKKPWTWJF-AWEZNQCLSA-N 455.286 2.362 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1C[C@@H]2[C@@H]1CCN2C(=O)OC(C)(C)C 2282023761 QZWIYQRIYUMFGW-ZMSDIMECSA-N 460.384 2.095 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2CCO[C@@]2(CNC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)C1 2282067900 VRSNYGVHPSCTTG-PEBXRYMYSA-N 479.408 2.198 30 10 JEEE Cc1nc(C(=O)NC[C@H]2COCCN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2282140674 YHBFLQMKRQFLMX-OAHLLOKOSA-N 481.424 2.364 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](NS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C[C@@H](F)C1 2282291031 XZZJHIFPQFFFTA-CVEARBPZSA-N 485.387 2.007 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@]2(C[C@@H](NC(=O)c3ncsc3B3OC(C)(C)C(C)(C)O3)CO2)C1 2282515043 MGDRHAXONXBKKH-PEBXRYMYSA-N 479.408 2.341 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@@H](NC(=O)C(F)(F)F)[C@@H](C)C2)n1 2282552559 QZFRLGBAPFUDOI-SWLSCSKDSA-N 455.286 2.218 30 10 JEEE CCc1nn(C)c(C(=O)N[C@@H]2CC[C@@H]2CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2282559149 NMOJALUVTOLIES-GDBMZVCRSA-N 462.400 2.315 30 10 JEEE CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H]2CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2282576129 MTLIAXYDCBDFGS-OAHLLOKOSA-N 460.384 2.476 30 10 JEEE CN(CC1CCN(Cc2ccccc2)CC1)C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2282614177 GRMJLVARCUVHNH-UHFFFAOYSA-N 453.396 2.099 30 10 JEEE Cc1ccc(C(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)cc1B1OC(C)(C)C(C)(C)O1 2282691757 OGZOBOJXYVKQAS-HKUYNNGSSA-N 460.380 2.252 30 10 JEEE CCCC[C@H](CNC(=O)OC(C)(C)C)NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282859815 QYHQDZGWEBLWRK-OAHLLOKOSA-N 486.444 2.081 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@]2(NC(=O)c3nccnc3B3OC(C)(C)C(C)(C)O3)C[C@H]2C1 2283063045 QIKJTPMNPLKBPU-WNSKOXEYSA-N 458.368 2.295 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)N1Cc2cccc(B3OC(C)(C)C(C)(C)O3)c2C1 2283965680 YAAGEXZEHIZMNV-LPHOPBHVSA-N 458.364 2.198 30 10 JEEE CN(CCNC(=O)OC(C)(C)C)CC(=O)N(C)Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2284067192 HJSJEDUROPNFTJ-UHFFFAOYSA-N 461.412 2.401 30 10 JEEE CCOC(=O)c1[nH]c(C)c(C(O)=C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccncc2)c1C 2297060361 RANGFRBUXIXFLL-QFIPXVFZSA-N 496.564 2.347 30 10 JEEE COc1ccc(C(O)=C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(O)c(OC)c2)cc1C 2297742862 WGRYJWRVHJQWBJ-HSZRJFAPSA-N 482.533 2.472 30 10 JEEE CCCN1C(=O)[C@]2(C(=C(O)c3ccc(C)o3)C(=O)C(=O)N2CCN2CCOCC2)c2ccccc21 2297745883 DUDFWMMQNSNBQB-AREMUKBSSA-N 479.533 2.253 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC([C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 2362346031 MMSFDBKKWJBHFN-OAHLLOKOSA-N 460.384 2.048 30 10 JEEE COc1ccc(NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2365285617 WYJZLPSDZIJEQN-WBVHZDCISA-N 462.352 2.303 30 10 JEEE OCC#CC[N+]1(CC#Cc2ccc(C#CC[N+]3(CC#CCO)CCCCC3)cc2)CCCCC1 20806937 UOJPONFXPYMMBI-UHFFFAOYSA-N 458.646 2.382 30 10 JEEE CCOC(=O)c1ccc(NC(=O)C[C@H]2S/C(=N/N=C3\C(=O)Nc4ccc(C)cc43)NC2=O)cc1 38315965 ABZPHRQESNAHNQ-QGZVFWFLSA-N 479.518 2.444 30 10 JEEE Cc1nc2ccccn2c1/C(O)=C1/C(=O)C(=O)N(CCCN2CCOCC2)[C@H]1c1ccco1 103096963 XWRHAMHQTZYHIP-NNWMPZTLSA-N 450.495 2.380 30 10 JEEE CCOC(=O)[C@@H]1CCCN(c2nc(O)c3c(n2)NC(=O)[C@@H](C#N)[C@@H]3c2ccc(OC)cc2OC)C1 256032441 DVYXPJLTKWUYTH-SKDZVZGDSA-N 481.509 2.203 30 10 JEEE COc1ccc(N2CCCC2=O)cc1S(=O)(=O)N(CCCNC(C)=O)Cc1ccc(C#N)cc1 586153323 HPDIZVZYHZCRPC-UHFFFAOYSA-N 484.578 2.411 30 10 JEEE C#Cc1cccc(-n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3cc([N+](=O)[O-])ccc3Cl)c2=O)c1 726579584 JIRNEVDANFRNJD-UHFFFAOYSA-N 490.928 2.224 30 10 JEEE C#CCN(C(=O)Cc1c(C)nn(-c2ccc(C(F)(F)F)cn2)c1C)[C@@H]1CCS(=O)(=O)C1 729334229 KQWLVGSWPBNZJT-MRXNPFEDSA-N 454.474 2.094 30 10 JEEE Cc1nn(CCO)c(C)c1C=NNc1nc(SCC(=O)N[C@H]2CCCc3ccccc32)n[nH]1 1084062040 CPLPSNZJVQPTLR-IBGZPJMESA-N 468.587 2.342 30 10 JEEE CC(=NNc1nc(SCC(=O)Nc2nnc(SCC(N)=O)s2)n[nH]1)c1ccc(C)cc1 1084125611 GEPXXXYVAGWBPE-UHFFFAOYSA-N 477.601 2.109 30 10 JEEE CC(=O)Nc1cccc(NC(=O)CSc2nnc(NN=Cc3cccc([N+](=O)[O-])c3)n2N)c1 1084277775 MGZFCBILNFLAFY-UHFFFAOYSA-N 469.487 2.035 30 10 JEEE N#Cc1c(F)cccc1N1CCN(C(=O)c2ccc(-n3cc(Br)cn3)nn2)CC1 1135946624 AJELPKRDRWFIEP-UHFFFAOYSA-N 456.279 2.398 30 10 JEEE Cc1nc(S(=O)(=O)NCCC(=O)N(Cc2cccc(C(F)(F)F)c2)[C@@H](C)C#N)cn1C 1142766743 HIGMRYHUUPBDKL-ZDUSSCGKSA-N 457.478 2.357 30 10 JEEE CS(=O)(=O)N1CCN(c2ccc(NC(=O)N[C@@H]3CCCc4cc(C#N)ccc43)cn2)CC1 1200203656 APOCAVAHQNQSHC-HXUWFJFHSA-N 454.556 2.234 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H](c1cccc(OC)c1)N(C)C)[C@H]1CCS(=O)(=O)C1 1286386519 BQEKHSUGGPSTDL-JTHBVZDNSA-N 494.621 2.278 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 1286410426 SZYQCUVIVIUTIL-RBUKOAKNSA-N 487.626 2.043 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(OCC)c(OC)c2)n1Cc1ccc(C(N)=O)nc1 1286424638 FGZOQUUBGBYLFC-UHFFFAOYSA-N 458.522 2.358 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(c2ccccc2C)CCOCC1 1286466525 HRCFKSPXFUJJPK-NRFANRHFSA-N 486.638 2.323 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1286491767 ARSTYPMJJKZSRK-HXUWFJFHSA-N 496.587 2.221 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H](C)CN1CCOCC1 1286517926 MYEBNXPYEZSVMZ-YADARESESA-N 471.627 2.309 30 10 JEEE C=C(C)COCCn1c(Cc2ccccc2OC)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1286609845 RYBQDQBXIDYGIE-OAQYLSRUSA-N 489.642 2.475 30 10 JEEE C=CCC(C)(C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1286669166 XGEPQBQDUNTZJI-INIZCTEOSA-N 474.512 2.296 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2ncc(Cl)cc2Cl)CC1 1286788236 SIXXSFKCCGQCQZ-CQSZACIVSA-N 466.373 2.113 30 10 JEEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC(CCN2CCCC[C@H]2C)CC1 1286791263 XCPKSTJEKQVSEQ-HXUWFJFHSA-N 471.650 2.184 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1286792339 UZLNJJIFZRGHCR-KRWDZBQOSA-N 486.573 2.271 30 10 JEEE CC(=O)N(C)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)CN2CCOCC2)CC1 1286843832 HQOZDCYDJZLANE-FQEVSTJZSA-N 495.628 2.144 30 10 JEEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC1(C(N)=O)CCCC1 1300317174 LLPOBBDKEBPPFC-NRFANRHFSA-N 463.630 2.146 30 10 JEEE C#CCCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC(=O)N(C)C[C@@H]1C 1300342569 SKKVKWYLGMAYGA-INIZCTEOSA-N 457.604 2.017 30 10 JEEE C#CCCCn1c(N2C[C@@H]3[C@H](C2)[C@@H](NC(=O)OC(C)(C)C)CS3(=O)=O)nnc1C(C)(C)C 1300424462 IAYHFTYVAMJJGJ-IXDOHACOSA-N 465.620 2.116 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccc(COCC)cc1)[C@H]1CCS(=O)(=O)C1 1300505646 DOSKBGNEHUPZFF-LEWJYISDSA-N 458.584 2.341 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(CNC(=O)c2cccs2)n1C[C@@]1(O)CCN(C)C1 1300648524 HBAITLBGKDBDCZ-XMMPIXPASA-N 482.585 2.115 30 10 JEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(Br)o1 1300732690 CZQKGXJOMPNPOZ-GFCCVEGCSA-N 476.422 2.247 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)CCOC 1300870161 QQSHYCKFDNZJRG-ICSRJNTNSA-N 463.604 2.259 30 10 JEEE C=CCN(c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(C)CN(C)C1=O)C1CC1 1301327037 LJDNTHDKBGHRNC-GAJHUEQPSA-N 460.579 2.220 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCCS(C)(=O)=O)C1 1301566793 CBXLHJHRSLOQMR-KSZLIROESA-N 483.635 2.265 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](CN2CCCC[C@H]2C)C1 1301579811 YDMOJWFWSDMGFV-WOJBJXKFSA-N 475.663 2.370 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCS[C@H](C)[C@H]1C 1301584731 CQNWGAQFBSSYMQ-HZPDHXFCSA-N 488.639 2.123 30 10 JEEE C[C@H](CC#N)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1CCS(=O)(=O)CC1 1303627077 CUHKAWOOPDGMET-OAHLLOKOSA-N 479.006 2.425 30 10 JEEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCN(C2CC2)C1 1303781861 BMARXBKEDFTFNY-IEBWSBKVSA-N 472.615 2.082 30 10 JEEE C=CCn1c(S)nc2cc(C(=O)NC3CCN(CC(=O)OC(C)(C)C)CC3)ccc2c1=O 1306888724 PDJNJZASZVZFHL-UHFFFAOYSA-N 458.584 2.407 30 10 JEEE COCCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCN(c2ccccc2F)C1 1316100824 APOXLDLKGRBUKD-MJGOQNOKSA-N 455.538 2.261 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Cl)n1C[C@H]1NC(=O)CC1(C)C)[C@H]1CCS(=O)(=O)C1 1358959091 BINWDHXYJQAKLV-MAUKXSAKSA-N 476.002 2.140 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCN1C1CCCCC1 1358984938 KXXXGYQNVUOQEK-PZJWPPBQSA-N 460.648 2.148 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C1CC1)N(C)C 1359017267 YUNCJBZYGGSAKE-PZJWPPBQSA-N 459.591 2.299 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H](c2ccc(F)cc2)N(C)C)CC1 1359040041 GBWPEJPCMOTUPB-WWNPGLIZSA-N 470.593 2.199 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](C)c2ccc(F)cc2)CC1 1359044294 BLMIXLGOZGVYPR-OXJNMPFZSA-N 452.534 2.138 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@]2(N(C)C)CCC[C@H](C)C2)CC1 1359045031 VAIBWGDCWBAQSE-PIBDYAPNSA-N 456.635 2.258 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@](C)(O)CC)CC1 1359046921 KWHAXRZJTXSWLL-RUZDIDTESA-N 453.587 2.199 30 10 JEEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1359122159 ALHIDMOWQNPPJT-UFYCRDLUSA-N 476.622 2.320 30 10 JEEE C=C(Cn1c([C@H](C)OCCOC)nnc1N1CCN(C(=O)N2CCOCC2)CC1)c1ccccc1 1359138370 SFECESJGIDLHTG-NRFANRHFSA-N 484.601 2.290 30 10 JEEE C=CCC(C)(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@@H](C(=O)NC)C1 1359188027 DRVFDVJBSFHKJV-LJQANCHMSA-N 468.606 2.006 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N(CC)Cc1cnn(C)c1 1359293207 KFVKVJGNSFORLW-UHFFFAOYSA-N 461.368 2.108 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1359293900 CUZVSNPXAVPQTD-DYVFJYSZSA-N 499.490 2.429 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2(O)CC(OCC)C2)C1 1359314674 GDFMGUBOSYKKHR-HGCBZUSOSA-N 476.599 2.060 30 10 JEEE C=CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1359337969 HMWWBKRYJUBVNG-UHFFFAOYSA-N 494.419 2.476 30 10 JEEE C=CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1359346040 YZTPMSAHKCBZOQ-CABCVRRESA-N 462.601 2.124 30 10 JEEE CC(=O)N1CCC[C@@H](Cn2c(C(=O)NC(C)C)nnc2N2C[C@@H](C#N)[C@H](c3ccccc3)C2)C1 1359367629 PNAQWBQTDCTNNX-FCEUIQTBSA-N 463.586 2.418 30 10 JEEE C#CCN(C(=O)NCCCOc1ncc(C(F)(F)F)cc1Cl)[C@H]1CCS(=O)(=O)C1 1469683788 JGSVDAGJUVPSEY-ZDUSSCGKSA-N 453.870 2.355 30 10 JEEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccccc2Br)C1 1505314530 FTVISNGRZCSOQG-RDTXWAMCSA-N 468.352 2.433 30 10 JEEE N#Cc1ccc(-c2nnc(N3CCC(F)(F)CC3)n2CCS(=O)(=O)N2CCSCC2)cc1 1505314821 BQDYDVCDBICNOX-UHFFFAOYSA-N 482.582 2.431 30 10 JEEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1507589324 VUZKSNGQZFGKLG-UZUQRXQVSA-N 474.562 2.031 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1Cc1oc(CC)nc1C)[C@@H]1CCS(=O)(=O)C1 1507634673 LEYJOOWWWOOKTQ-QGZVFWFLSA-N 459.597 2.464 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC(C)(C)c1ccccn1)[C@@H]1CCS(=O)(=O)C1 1507637548 BPKBFOCRIRDUSK-HXUWFJFHSA-N 481.626 2.139 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CCCc1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 1507638050 CXQFFCUJGZAKLS-OAQYLSRUSA-N 482.610 2.159 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CCOc2ncccc2F)CC1 1507734814 ZBPOIYRBUZESPV-UHFFFAOYSA-N 452.490 2.425 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@H]2CCCO2)CC1 1507739854 GHBOSAZLJLYFSA-NRFANRHFSA-N 453.543 2.011 30 10 JEEE C=C(C)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(C(=O)COC)CC1 1507829534 BDWVGAXPMCXKNM-SFHVURJKSA-N 462.595 2.264 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)C1CC1 1507998449 GPRFBPSFHIAGRX-WMZHIEFXSA-N 455.584 2.405 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C)o3)n2CCS(=O)(=O)N2CCSCC2)C1 1508114328 CVBIDRQMJPSECN-QGZVFWFLSA-N 467.617 2.006 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CC(C)(C)N2CCC(OC)CC2)C1 1508128572 BRKRZWNOWLNPAQ-HXUWFJFHSA-N 460.623 2.071 30 10 JEEE C=CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1508150372 JXJXRFWPCJTYMQ-OAQYLSRUSA-N 461.613 2.127 30 10 JEEE C[C@@](O)(Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](C#N)C1)c1cccs1 1510231232 AWNYEQNNWURTIQ-IIBYNOLFSA-N 473.580 2.047 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1538985146 WXXFJVDTMZPISB-HUUCEWRRSA-N 466.405 2.447 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C(=O)N2CCCCC2)cc1 1539015711 QZZUZBNVUADTHG-NQIIRXRSSA-N 469.611 2.313 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc(Cl)nc3)n2C[C@@]2(O)CCOC2)c1 1539040470 UBJGBAFEBQMAOD-QHCPKHFHSA-N 466.929 2.201 30 10 JEEE C#CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1539044800 IJSNYUJXNKLTCL-LJQANCHMSA-N 497.987 2.138 30 10 JEEE C#CCN(c1nnc(C2CC2)n1C[C@@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1539215448 CFEBBLITFNJTPE-QXAKKESOSA-N 477.631 2.428 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1Cc1ccc(C#N)o1)[C@H]1CCS(=O)(=O)C1 1539219808 NASAIQVGAWXHJE-KRWDZBQOSA-N 453.499 2.148 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1539402454 CEMBKINRGUUWFK-OALUTQOASA-N 486.983 2.426 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCN2CCCC2)CC1 1539474722 XNWJVHPIHQAZIK-UHFFFAOYSA-N 455.994 2.445 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCCN(C)c2ccccc2F)CC1 1539477499 OQYYERVKRCGHJS-UHFFFAOYSA-N 476.560 2.367 30 10 JEEE C#CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCn1cccn1 1539516749 BOFPNOFAPASMJO-SFHVURJKSA-N 475.619 2.286 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(NC(C)=O)cc1 1539557256 OKYKWBKFJAZQBA-AUSIDOKSSA-N 455.584 2.373 30 10 JEEE C=C(C)Cn1c(COc2ccc(Br)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1539715880 JXCIMZHISVAURZ-UHFFFAOYSA-N 477.407 2.406 30 10 JEEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1539721827 IDUAQPNAUUHGGK-KGSLCBSSSA-N 474.650 2.205 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CCOC2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1539916162 HIAPXIRNDXLUOS-KRWDZBQOSA-N 464.592 2.024 30 10 JEEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1540035453 CTJWUOVNQLXDCW-MOPGFXCFSA-N 465.595 2.495 30 10 JEEE C=CCCOCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCNC(=O)CC1 1540036636 QKHNANXEDBCOEM-GOSISDBHSA-N 462.595 2.312 30 10 JEEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(OC)c(OC)c1OC 1540070918 BMKVQGBKUVQEEE-INIZCTEOSA-N 450.561 2.071 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCO[C@@H](c2ccco2)C1 1540864864 NMPSVTHCDIEYCH-HXUWFJFHSA-N 483.525 2.444 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1540866709 XOOGRDRBJWHAHS-QGZVFWFLSA-N 467.965 2.191 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(CC(=O)Nc2cccc(C)c2C)CC1 1540870486 ORUYOOLFDYRLHA-QFIPXVFZSA-N 495.628 2.199 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCN2CCN(C(C)=O)CC2)C1 1540896545 NYYJJMOGHRJQDU-BHDDXSALSA-N 474.650 2.142 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 1540900960 OKGOPSSBWLXKAN-LJQANCHMSA-N 486.642 2.416 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC[C@H](CNC(=O)c2ccccc2)C1 1540907580 BGEPFAGWUWNIRB-TZIWHRDSSA-N 487.626 2.377 30 10 JEEE CCN(CC)[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](C(=O)NC)C1 1547433002 FMKMBHSRRIVLNT-QUCCMNQESA-N 453.591 2.421 30 10 JEEE COCCN(CCC#N)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@]1(O)CCC[C@@H]1C 1555557969 IFPHXFLFMPEOTM-CYFREDJKSA-N 468.606 2.370 30 10 JEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC[C@@](O)(c4ccc(F)cc4)C3)CC2)cc1 1566938184 FIJMNEFSNZXSSQ-QHCPKHFHSA-N 457.527 2.218 30 10 JEEE Cc1nsc(N2CCN(C(=O)c3ccc(F)c(S(=O)(=O)NC(C)C)c3)CC2)c1C#N 1584061360 CHHKEHVHJBBYNE-UHFFFAOYSA-N 451.549 2.111 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1nnc(CC)s1 1587579831 KLTPSSBBHOZLMF-AWEZNQCLSA-N 459.601 2.116 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCCn1cc(Br)cn1 1587641303 YWNRZKWXCYJDKP-HUUCEWRRSA-N 469.409 2.078 30 10 JEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1587823718 WNORSGXZZCIOLL-HXUWFJFHSA-N 454.556 2.073 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CCC1(O)CCOCC1)[C@H]1CCS(=O)(=O)C1 1588040003 HHQDRCKGJBYYQN-IBGZPJMESA-N 479.002 2.157 30 10 JEEE C#CCN(c1nnc(-c2ccccc2)n1CCN(C)CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1588045239 HSBFRFCPXZPYOB-KRWDZBQOSA-N 455.506 2.066 30 10 JEEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1CCC(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 1588070315 YMTVEZMVFSQJFY-GOSISDBHSA-N 494.017 2.052 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1CCc2nccn2C1 1588079039 QISPMFQDBOATRR-IBGZPJMESA-N 461.957 2.393 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(C)s2)CC1 1588884792 NGRYXWITDSGHLW-UHFFFAOYSA-N 463.567 2.309 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)CN2CCCC2)CC1 1588961723 JYXHUAVDHKZJPC-OAQYLSRUSA-N 489.624 2.426 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1589515436 NNKYYENLAAYVGX-UPVQGACJSA-N 477.613 2.445 30 10 JEEE C=CCCOCCn1c(N2CCNC(=O)[C@H]2CC)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1594829784 QCGWBRVREFMSIR-FGTMMUONSA-N 462.595 2.356 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](CC(N)=O)C1 1595766629 UZTCFGKIVLPSHW-OAHLLOKOSA-N 451.980 2.291 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1C[C@@H]1CC1(C)C 1611704415 AOVNFJSMCGKTAN-RDJZCZTQSA-N 475.594 2.272 30 10 JEEE CC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1)OC 1613623417 AIRTZQJFJWJFJF-RPWUZVMVSA-N 481.645 2.473 30 10 JEEE CCCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1614499940 HZDAIDBYLOLZAQ-UHFFFAOYSA-N 478.645 2.293 30 10 JEEE CCO[C@@]1(c2nnc(N3CCN(c4ccc(C#N)cn4)CC3)n2C[C@H](CC(C)C)N(C)C)CCOC1 1616252026 ASKJEIWMYASFNL-NVQXNPDNSA-N 496.660 2.500 30 10 JEEE COC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCC(=O)NC2CC2)C1 1618859633 FQQLXOIWHZQUOK-GOSISDBHSA-N 466.542 2.177 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@H](OCC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)C1 1629505972 CJENEGPPLXSWDA-SJORKVTESA-N 452.552 2.374 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1CCC(=O)N1CCOCC1 1649543146 ORNFMRSYAFEWDZ-UHFFFAOYSA-N 451.531 2.245 30 10 JEEE C[C@H](NS(=O)(=O)c1ccc(C#N)c(Br)c1)[C@H](C)C(=O)Nc1ncccc1O 1656477753 HTFWZUYFOKAGOB-QWRGUYRKSA-N 453.318 2.363 30 10 JEEE N#Cc1c(Cl)cccc1S(=O)(=O)N1CCN([C@@H](C(N)=O)c2ccc(Cl)cc2)CC1 1662705166 CCMJQHFNBJCFOU-GOSISDBHSA-N 453.351 2.398 30 10 JEEE C=CCN([C@H](Cc1ccccc1)C(=O)OCC)S(=O)(=O)c1ccc2nc(O)nc(O)c2c1 1668594959 AZVCNSTUJGUHKU-LJQANCHMSA-N 457.508 2.392 30 10 JEEE C#CCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1689918192 UMBSAVDMINJAKS-UHFFFAOYSA-N 492.624 2.163 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCOc1ccccc1C)[C@@H]1CCS(=O)(=O)C1 1689989205 BXFOEWDMJMYBNY-WOJBJXKFSA-N 458.584 2.186 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCN(C)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1689990231 NBXLIYGUDTYFEO-TZIWHRDSSA-N 463.648 2.063 30 10 JEEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1CCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1689996053 DDNVWJZPYYNTOJ-OAQYLSRUSA-N 482.610 2.306 30 10 JEEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1Cc1cccc(N2CCOCC2)c1 1690052823 QWMMORMEXPDVMU-UHFFFAOYSA-N 457.582 2.488 30 10 JEEE C#CCN(CCOC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@]1(O)CCc2ccccc21 1690094261 XPZUKBFIPGBUOF-RPBOFIJWSA-N 454.571 2.239 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@]2(O)CCSC2)CC1 1690152336 HXVBUDGKBFRYMQ-QHCPKHFHSA-N 490.029 2.344 30 10 JEEE C#CCSCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1690163313 ASBFVARYLKLDRU-KRWDZBQOSA-N 458.975 2.438 30 10 JEEE C#CCSCCn1c(N2CCC[C@H](C(=O)NC3CC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1690186807 UXXXXFZFKWJHTQ-FDDCHVKYSA-N 461.632 2.180 30 10 JEEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@H]2CCCO2)CC1 1690228823 GPKPXSIYOXWIOK-JKSUJKDBSA-N 459.410 2.484 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1690251487 VUDUUBGUNSHIJZ-SUMDDJOVSA-N 451.618 2.238 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(F)(F)Br 1690265836 UZBQYCLQUMSALG-GFCCVEGCSA-N 472.356 2.001 30 10 JEEE C=C(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccn1)c1ccccc1 1690323884 CAWZJSZNWQVBLP-NRFANRHFSA-N 468.583 2.356 30 10 JEEE C=C(Cl)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1690328291 IUFZKFPVEKEAJF-HNNXBMFYSA-N 476.940 2.237 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCCN2CCC(C)CC2)CC1 1690375707 RNWHSQRWJMZPSP-NRFANRHFSA-N 480.679 2.280 30 10 JEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1690472716 UMMCDEUSGVJUGV-SFHVURJKSA-N 457.604 2.048 30 10 JEEE C=CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1690490078 ONDIPURYGJPQMN-OAQYLSRUSA-N 454.623 2.239 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCn1ccnn1 1690596934 DXDCCPXYDSTIFS-GOSISDBHSA-N 458.567 2.447 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N(C)Cc1cnccn1 1690666005 WCKRUDKMAFYPDW-UHFFFAOYSA-N 472.347 2.445 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(C(=O)CCC2CCCC2)CC1 1690667807 IVRRGNBIYPNWFY-UHFFFAOYSA-N 451.575 2.261 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 1690668307 ZMJCAUBGLRNMNZ-UHFFFAOYSA-N 453.522 2.060 30 10 JEEE Cc1ccsc1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@H](C#N)C1 1692937217 DGHJFCXQGFWJQD-KRWDZBQOSA-N 472.596 2.342 30 10 JEEE CC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1)OC 1694372422 BDIDVVQOLDINMP-QFIPXVFZSA-N 465.602 2.376 30 10 JEEE CCCNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCS(=O)(=O)C2)C1 1695407982 DTBBVBRQOAGCOW-FPOVZHCZSA-N 484.626 2.384 30 10 JEEE COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2C[C@@H](C)C[C@@H](C)C2)CC1 1697707759 HJAXIXQKKVKJPP-OYRHEFFESA-N 479.629 2.480 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@]1(C)CN(C2CC2)C1=O 1705481532 IJJBCKCGJMXCOO-OYLFLEFRSA-N 453.543 2.440 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@H]1OCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1705568596 RCSNEZXFCAYCLO-YVWKXTFCSA-N 462.547 2.048 30 10 JEEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1CC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1705568618 RNNUGPPIVKNNKT-LJQANCHMSA-N 458.584 2.016 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1Cc1cccnc1N1CCOCC1 1705578063 DSZYVAFPGAOWII-UHFFFAOYSA-N 472.549 2.315 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC2(SC)CC2)CC1 1705640391 PPSPEUSGVHUNBH-SFHVURJKSA-N 476.647 2.237 30 10 JEEE C#CCN1CCN(c2nnc(CC3CCCC3)n2Cc2ccc(OCCO)c(OC)c2)CC1 1705641867 XFRQCYXHUGZAFE-UHFFFAOYSA-N 453.587 2.194 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2CCCCN2CCOCC2)CC1 1705649512 AMQVCYKQEMTXME-UHFFFAOYSA-N 482.604 2.086 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1705650762 YXYLPJKMKUIBQB-HXUWFJFHSA-N 480.588 2.232 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2CCCCN2CCC)CC1 1705652798 NVAMLFOVCSIUGI-VABKMULXSA-N 486.661 2.232 30 10 JEEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1705732936 GOXASQGWCAQKTG-INIZCTEOSA-N 459.938 2.059 30 10 JEEE C=CCCOCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1705831897 GWWMVMPHDLVMPK-HTAPYJJXSA-N 461.588 2.247 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(C)n(C)c1=O 1705858992 DDZQPEPPUGLHDS-SFHVURJKSA-N 470.599 2.136 30 10 JEEE C=CCOc1ccc(Cn2c(-c3cccn3C)nnc2N2CCN(C(=O)C(=O)NC(C)C)CC2)cc1 1705909897 LIQZTSYSSOEHEJ-UHFFFAOYSA-N 491.596 2.070 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1705938882 LNLVOHVZFWWZEL-SPEDKVCISA-N 470.636 2.244 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(CCc2ccccc2)CC1 1705939510 YTMPGZXMPOKEGG-OAQYLSRUSA-N 459.616 2.095 30 10 JEEE C=CCSCCn1c(N2CCN(c3ncccn3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1705949723 HFTVHLGQRULNME-QFIPXVFZSA-N 459.620 2.355 30 10 JEEE CCCC(O)(CCC)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@H](C#N)C1 1709523769 CREKKYJFAIFMON-LJQANCHMSA-N 490.630 2.255 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccs2)c1 1722310366 VCOVHCQSBSALOJ-KRWDZBQOSA-N 469.592 2.346 30 10 JEEE C#CCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1722340161 OWGHTUYYFCARDQ-SFHVURJKSA-N 456.934 2.397 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1Cc1csc([C@@H](C)OC)n1)[C@H]1CCS(=O)(=O)C1 1722361683 OHCSJGJAAUFGPY-WBVHZDCISA-N 474.612 2.123 30 10 JEEE C#CCSCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCNC(=O)CC1 1722455585 VDCFSRFFLYAJBR-UHFFFAOYSA-N 464.389 2.409 30 10 JEEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1722459320 HTGZMXDAELMYNR-NRFANRHFSA-N 474.675 2.457 30 10 JEEE C#CCSCCn1c(COc2ccc(F)cc2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1722465166 FHCWCPWZDVGRMW-SFHVURJKSA-N 458.563 2.403 30 10 JEEE C=CC1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@]2(O)CCSC2)CC1 1722577026 ZRSXYWSRXPCGKQ-JOCHJYFZSA-N 477.656 2.466 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H](N2CCCCC2)C1 1722693171 FQBPASWAZODALR-MRXNPFEDSA-N 462.396 2.403 30 10 JEEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN(CC(F)(F)F)CC1 1722701077 FNLAULCNYKYMLH-UHFFFAOYSA-N 466.508 2.058 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CC)[C@H](C)C1 1722703595 CSDPTWQOMHGRNT-MSOLQXFVSA-N 461.611 2.183 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1722714080 GESWNCQJACEDEN-RTBURBONSA-N 491.614 2.168 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 1722729468 LMHPIFXJLFEOEH-UHFFFAOYSA-N 498.609 2.165 30 10 JEEE CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@H](C)N2CCCCC2)CCO1 1722841064 BGKHHFNAKHMLLG-CVDCTZTESA-N 465.602 2.423 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1CCCc1c[nH]nc1C)[C@H]1CCS(=O)(=O)C1 1740621700 OFXIFRQMQSWIRO-IBGZPJMESA-N 468.583 2.245 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1Cc1cnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1740622154 VTBZFPVXEKNYIZ-MRXNPFEDSA-N 457.581 2.394 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@H]1CCCCN1CC)[C@H]1CCS(=O)(=O)C1 1740625676 PBBNZHKFLSZYCN-YADHBBJMSA-N 485.654 2.379 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@H](C)N1CCN(CC)CC1 1740630810 MDADWYSIBZTVPQ-OAQYLSRUSA-N 456.598 2.434 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)c(OC(F)F)c1 1740656287 JWXHYRQAGLODIJ-QGZVFWFLSA-N 478.521 2.301 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(OCC)cc3)n2CC2(O)CCOCC2)CC1 1740689580 BJVKURRQDPQIEM-HXUWFJFHSA-N 469.586 2.114 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1740756303 OVAYCBPBNICKQL-NHCUHLMSSA-N 466.586 2.100 30 10 JEEE C=CC[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)COC)CC1)c1ccccc1 1740854198 DNOLEMJPJQIXBP-CTNGQTDRSA-N 466.586 2.321 30 10 JEEE C=CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)N2CCOCC2)CC1)c1ccccc1 1740855749 WZOBDDJJMIRXMR-JOCHJYFZSA-N 495.628 2.350 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC2(CCOCC2)C1 1740953403 FHNOMRJVNOHQMM-UHFFFAOYSA-N 471.558 2.280 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@@H](C(=O)NC)C1 1740988369 CAJFLZFDOGHVMX-GOSISDBHSA-N 468.583 2.057 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)[C@@H]1CCSC1 1740988463 FIKRLESPBUKUDB-MRXNPFEDSA-N 450.586 2.259 30 10 JEEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2cccc(F)c2)C1 1741983006 DFZYDLJETLTRPB-DENIHFKCSA-N 476.578 2.123 30 10 JEEE CNC(=O)[C@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCCC2)C1 1748142910 ADFIKBNADQFSRB-XMMPIXPASA-N 451.575 2.177 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2Cl)n1CC1(O)CC1)[C@@H]1CCS(=O)(=O)C1 1748808244 ITPBWCWQIHQGKP-CQSZACIVSA-N 455.367 2.404 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccc(Br)cc2)n1CCCN1CCOCC1 1748856284 XDSZXASIMMBQBG-UHFFFAOYSA-N 472.387 2.415 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCc2c(C)noc2C)CC1 1748972993 UOBXEGVMTXZHQP-UHFFFAOYSA-N 481.988 2.464 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@H]2CC[C@H](F)C2)CC1 1748979693 JGBBYWMTVGAYKD-QUCCMNQESA-N 474.606 2.089 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccc(C)cc2)nnc1N1CCN(CCOC)C(=O)C1 1749135930 JRYVOTXQACXPJD-HYBUGGRVSA-N 469.586 2.442 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)OCC(C)C)CC1 1749137241 XCSGSVBLNNPRDV-UGKGYDQZSA-N 474.606 2.296 30 10 JEEE C=CC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N2CCOCC2)CC1 1749348775 YPQLJADRFFIGPZ-UHFFFAOYSA-N 450.543 2.380 30 10 JEEE C=CCCOCCn1c(Cc2ccncc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1749459645 PWMQMOWOWABQQX-IBGZPJMESA-N 459.558 2.233 30 10 JEEE C=CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC(S(=O)(=O)CC)CC1 1749633972 SYXMNSBASUADPM-UHFFFAOYSA-N 456.572 2.264 30 10 JEEE C=CCOc1ccccc1Cn1c(N2CC[C@@H](C(N)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1749690108 RBGQUKVLAXGQAJ-NTKDMRAZSA-N 455.559 2.243 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCn2cc(Br)cn2)C1 1749711795 CMPQNEJKZUTWQM-NVXWUHKLSA-N 499.435 2.011 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1749729433 JLQRJKNLUKLNGJ-HTAPYJJXSA-N 464.563 2.459 30 10 JEEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1749752240 MXZACNFDWDIKDH-INIZCTEOSA-N 461.592 2.384 30 10 JEEE CC(=O)N1CCN(CCn2c(CC(C)(C)C)nnc2N2CCN(c3ccccc3C#N)CC2)CC1 1749888302 GOMNFVCUEHKCBA-UHFFFAOYSA-N 478.645 2.229 30 10 JEEE Cc1nccn1CCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1751809587 IDANTQKTOWVZRG-FQEVSTJZSA-N 453.572 2.425 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1760193240 XAKZWRBKIMNSDA-TZIWHRDSSA-N 458.584 2.398 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCS(=O)(=O)NC(C)C 1760234420 MZXDVUIURWZAOQ-SFHVURJKSA-N 482.651 2.180 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2CCc2ccc(OC)c(OC)c2OC)CC1 1760257962 NCBUNOQZUANPHE-UHFFFAOYSA-N 450.543 2.297 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cc(C(CC)CC)no2)CC1 1760265147 PJFAAPOFKFMUNH-UHFFFAOYSA-N 469.590 2.322 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2[C@@H]2C[C@H]2CF)CC1 1760270379 WCRTTWHFTBMYLQ-IPMKNSEASA-N 490.580 2.083 30 10 JEEE C#CCSCCn1c([C@H](C)CC)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1760275211 SDUQFGIQPNBKTM-OAHLLOKOSA-N 468.674 2.434 30 10 JEEE C=CCCOCCn1c(Cc2ccncc2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1760451978 ACMVPFAAEGUKSG-XUZZJYLKSA-N 481.645 2.236 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@@H]1COCCO1 1760480589 YZABYNSPTQJAJL-LEWJYISDSA-N 471.583 2.050 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccccc2-c2cnn(C)c2)C1 1760535406 QFEXKVJGOZFBOR-PXNSSMCTSA-N 485.614 2.118 30 10 JEEE C=CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1760561070 PDUCTOVYJXGCAG-UHFFFAOYSA-N 465.627 2.480 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCC(=O)N1CCCCC1 1760689626 ARMPTFUMVMSECS-SFHVURJKSA-N 487.630 2.194 30 10 JEEE CC(C)(C)C(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(CS(C)(=O)=O)CC2)CC1 1760707621 AJGMZAJXUDILAA-UHFFFAOYSA-N 484.626 2.336 30 10 JEEE CC(C)CCOC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1761089264 HBMSSODHEAKBRC-XMMPIXPASA-N 487.626 2.398 30 10 JEEE C[C@@H]1CN(CCCn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)CCCO1 1763198510 GISKHMFJVSKYQX-DENIHFKCSA-N 486.642 2.331 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(C)nn(-c2ccccc2)c1C 1772564529 AERFCACCSHZXMV-NRFANRHFSA-N 485.614 2.084 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCNC(C)=O)[C@@H]2c2ccc3c(c2)OCCO3)cc1F 1862644851 VBLBYCDBBWVANQ-OAQYLSRUSA-N 470.453 2.320 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(C(=O)O)cc2)cc1 1862694386 IISNLVRNWIHMTI-NRFANRHFSA-N 466.490 2.304 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)COc2cccc3c2C(=O)N(CCCN(C)C)C3=O)nc1C 1865808598 WWHDAVZPANYYCH-UHFFFAOYSA-N 486.550 2.360 30 10 JEEE CCOC(=O)c1ccc(N2C[C@@H](C(=O)Nc3c(C#N)nnn3-c3ccc4c(c3)OCO4)CC2=O)cc1 1870151356 UHQXZALGZKZDCO-HNNXBMFYSA-N 488.460 2.036 30 10 JEEE C=CCn1cc(OCC(=O)Nc2ccc(Cl)cc2)c(=O)cc1CN1CCC(C(N)=O)CC1 1870649778 LUBWFYJONLPRFG-UHFFFAOYSA-N 458.946 2.403 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)COc2nonc2CC(=O)NCc2ccccc2F)nc1C 1872649239 QBFJJUDUZUVFLG-UHFFFAOYSA-N 489.485 2.193 30 10 JEEE COc1ccc(Cc2nnc(SCC(N)=O)n2/N=C/c2cccc(OC)c2O)cc1OC 1874238066 PFXRBQWYTNBXMO-FOKLQQMPSA-N 457.512 2.060 30 10 JEEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)[C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)CC1 1891212883 NPJFPYRJWFXZPV-JOCHJYFZSA-N 476.662 2.280 30 10 JEEE CC(C)N1C(=O)CS[C@H](C(=O)N2CC[C@H](Oc3cnccn3)C2)[C@@H]1c1ccc(C#N)cc1 1891291246 TVPWAVGDPLJJAS-NYVOZVTQSA-N 451.552 2.422 30 10 JEEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@H]1C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 1892278577 SFYGVLLFBZFCPV-FQEVSTJZSA-N 458.540 2.386 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)NC1CC(B2OC(C)(C)C(C)(C)O2)C1 2060632597 CTYCWONZUMZOFJ-NRXISQOPSA-N 460.402 2.055 30 10 JEEE C#CCC[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 2230862890 QVHFDHUWDUOOKQ-LFDJNIOPSA-N 465.591 2.273 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC2CN(C(=O)OCc3ccccc3)C2)n1 2247915192 XDZUUZPKDFKJHS-UHFFFAOYSA-N 451.332 2.440 30 10 JEEE C=C(CS(=O)(=O)N=[S@@]1(=O)CC[C@H](NC(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2247960900 AFPLCERMSHTBKW-MLNJSSBLSA-N 464.415 2.269 30 10 JEEE CO[C@@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C[C@H]1NC(=O)OC(C)(C)C 2255833195 YZJKLZVLDVSDHB-HUUCEWRRSA-N 452.382 2.411 30 10 JEEE C[C@H](CCNC(=O)OC(C)(C)C)NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2255932794 GQJNTJWZDAQBSH-CYBMUJFWSA-N 475.442 2.165 30 10 JEEE CO[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)N(C(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)C1 2267005197 KZJQBKGZMRKDRR-UONOGXRCSA-N 467.397 2.197 30 10 JEEE CC1(C)OB(c2cncnc2C(=O)N2CC3(CC(NC(=O)OCc4ccccc4)C3)C2)OC1(C)C 2267270291 KNFZVTHAURFNKK-UHFFFAOYSA-N 478.358 2.307 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H]1NS(=O)(=O)Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2267473527 HGEUEHHFXCCVBQ-QZTJIDSGSA-N 466.409 2.461 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C[C@H]1CO 2267616398 SHSASPWUDZDEIJ-GJZGRUSLSA-N 466.409 2.395 30 10 JEEE C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CN1S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2267702654 JTICDRYCXRHUQQ-ZBFHGGJFSA-N 467.397 2.057 30 10 JEEE CC(C)(CCNC(=O)OC(C)(C)C)NS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2267719661 DWCVJKTWTKGBMF-UHFFFAOYSA-N 469.413 2.353 30 10 JEEE COC(=O)CN(Cc1ccccc1)S(=O)(=O)Cc1ccccc1B1OC(C)(C)C(C)(C)O1 2267724110 DRGABMMSDGMNKG-UHFFFAOYSA-N 459.373 2.491 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)O 2268645030 SABUKXQHSILTER-GUYCJALGSA-N 450.341 2.207 30 10 JEEE COc1ccc(NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)O)c(B2OC(C)(C)C(C)(C)O2)c1 2268646637 ZVUOEXWJRYHDDK-SUMWQHHRSA-N 450.341 2.207 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](CO)[C@@H](NC(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)CC1 2281823168 NXLZYMYABCREPL-WBVHZDCISA-N 464.368 2.317 30 10 JEEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@H](F)[C@H](NC(=O)c1cc(B3OC(C)(C)C(C)(C)O3)n[nH]1)C2 2281986180 OUVZZACCCPNZHQ-UICACZKSSA-N 464.347 2.317 30 10 JEEE CC1(C)OB(c2cnc(C(=O)N[C@H]3COCCN(C(=O)OCc4ccccc4)C3)c(F)c2)OC1(C)C 2282034995 PECUBIJYGSAIKY-LJQANCHMSA-N 499.348 2.287 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N=S1(=O)CCC(NC(=O)OC(C)(C)C)CC1 2282038534 JSRHLRJPGYQUAZ-UHFFFAOYSA-N 482.412 2.015 30 10 JEEE COCC[C@]1(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)CCN(C(=O)OC(C)(C)C)C1 2282193546 NDRNZRVLWAEHFQ-HSZRJFAPSA-N 463.384 2.460 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@@H]1CC(C)(C)[C@@H]1OCc1ccccc1 2282340654 IMDMTBNAJKBFFP-RTBURBONSA-N 475.420 2.382 30 10 JEEE Cc1c(C(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282551328 CLCAHAWOBXSIIS-ZBFHGGJFSA-N 462.400 2.261 30 10 JEEE Cc1c(C(=O)N2C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@H]2C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282554508 FKJLSZDJKUVWPM-HUUCEWRRSA-N 462.400 2.498 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@]2(F)CCC[C@@]2(NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2282584207 BUPMEJFFFJAVHZ-FCHUYYIVSA-N 464.347 2.320 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@](F)(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2282627799 PWOFMCQVKBHXHP-QFIPXVFZSA-N 467.347 2.019 30 10 JEEE CC(C)(C)OC(=O)N1CC2CC1(CNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1)C2 2282834632 WWSLGPMBAJWZAC-UHFFFAOYSA-N 499.464 2.261 30 10 JEEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CC1(C)C 2282867640 BNDFFDHDOSVHKC-UHFFFAOYSA-N 481.424 2.401 30 10 JEEE C[C@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2O)CC[C@H]1NC(=O)C(F)(F)F 2282971947 JKXGJDDNACVPLS-SWLSCSKDSA-N 456.270 2.221 30 10 JEEE Cn1ncc(CNC(=O)OC(C)(C)C)c1C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2283956112 PITDHYREBWIQCT-UHFFFAOYSA-N 457.340 2.391 30 10 JEEE C[C@@H](OC(C)(C)C)[C@@H](NC(=O)OC(C)(C)C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2284055825 ZWXLNMIXPNERIS-CHWSQXEVSA-N 484.428 2.295 30 10 JEEE COc1ccc(C=Nn2c(CNC(C)=O)nnc2SCC(=O)Nc2ccc(F)cc2)cc1O 2330731436 FEMBQTKPHSKDML-UHFFFAOYSA-N 472.502 2.381 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@H](C(=O)N=c3nc(B4OC(C)(C)C(C)(C)O4)[nH]s3)C[C@H]21 2334390356 VLTLRQRMOCTCEK-XJFOESAGSA-N 464.397 2.137 30 10 JEEE CC(C)(C)OC(=O)NCCO[C@H]1CCN(C(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C1 2337405181 NWCYRDUGVSKDSL-AWEZNQCLSA-N 467.397 2.198 30 10 JEEE CC(C)CN(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C)C1CN(C(=O)OC(C)(C)C)C1 2362451654 ICGBCUZMPLUTLE-UHFFFAOYSA-N 462.400 2.437 30 10 JEEE CCn1cc(C(=O)N[C@@H]2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2366675756 ZOIYDGYEYUITOE-HRCADAONSA-N 460.384 2.330 30 10 JEEE C=CCNC(=O)CN1CCN(C(=O)c2cc(Br)c(OCCC)c(OC)c2)CC1 492336536 PYKIGXMYUGRSLX-UHFFFAOYSA-N 454.365 2.307 30 10 JEEE CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)Cn1cnc2c(c(Br)nn2C)c1=O 727233572 RKBNVQLONCRSMK-AWEZNQCLSA-N 485.342 2.365 30 10 JEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)S(=O)(=O)c2ccc(C(=O)OC)cc2Cl)c1 727670644 CESREGZSNNHZHZ-UHFFFAOYSA-N 476.938 2.162 30 10 JEEE C#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC[C@@](O)(C(=O)O)C1 757344920 FCEIUTBVAYGHRM-NVQXNPDNSA-N 462.502 2.355 30 10 JEEE C#CCN(CC(=O)O)C(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@H](C)OC 757549219 KWWPYARZIFWBML-HJPURHCSSA-N 450.491 2.475 30 10 JEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)cc1 811337659 RKCYFRQAXFJJRG-UHFFFAOYSA-N 469.607 2.099 30 10 JEEE COC(=O)C1=C(Cn2cc(Br)cc(C#N)c2=O)N(C)C(=O)N[C@@H]1c1ccccc1 1166278185 DEOFWWVEUQRBSL-QGZVFWFLSA-N 457.284 2.306 30 10 JEEE CCOC(=O)c1c(NC(=O)NCCN(C)S(=O)(=O)c2cccs2)c(C#N)cn1CC 1219176361 GUPMDDOJUUDNJR-UHFFFAOYSA-N 453.546 2.060 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCN1CCCCC1=O 1286285905 ROEQQHXEWBGFKO-QGZVFWFLSA-N 457.604 2.099 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(OC(F)F)cc2)CC1 1286469932 OVDODINQOZAGBV-UHFFFAOYSA-N 467.480 2.330 30 10 JEEE C#CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1286501159 NZXIXZBZSORWDW-MRXNPFEDSA-N 484.047 2.492 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CCO[C@H](c2noc(C)n2)C1 1286782549 YGUVPOCCPOFQNM-LBPRGKRZSA-N 494.375 2.341 30 10 JEEE C=CCOc1ccc(Cn2c([C@H]3CCOC3)nnc2N2CCC(NS(=O)(=O)CC)CC2)cc1 1286795988 GUNKAFJFEMYZND-IBGZPJMESA-N 475.615 2.303 30 10 JEEE C#CCCCn1c(N2C[C@@H]3[C@H](C2)[C@H](NC(=O)OC(C)(C)C)CS3(=O)=O)nnc1C(C)(C)C 1300424460 IAYHFTYVAMJJGJ-BRWVUGGUSA-N 465.620 2.116 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1CC1(S(C)(=O)=O)CCCC1 1300537338 DZVLQYOCJPHDNR-HXUWFJFHSA-N 454.552 2.221 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(Br)c2)n1CCCS(C)(=O)=O 1300657262 JDYWSYZALFQCBD-UHFFFAOYSA-N 455.378 2.228 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCc2nnc(C)s2)CC1 1300686208 YIYYOTPWAMROLN-UHFFFAOYSA-N 461.393 2.194 30 10 JEEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N(C)CC(C)(C)CN1CCOCC1 1300839468 IASKLUXGELWDGH-UHFFFAOYSA-N 452.401 2.382 30 10 JEEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1301259781 RDPXOCDVRYZPML-ROUUACIJSA-N 462.595 2.343 30 10 JEEE C=CCNC(=O)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N(C)C[C@@H](C)C(=O)NC 1301480918 GNEMONFNEQDNMO-OAHLLOKOSA-N 467.599 2.498 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(Cc2cc(F)ccc2OC)CC1 1301499631 CUBZRYOCYJVPFJ-NRFANRHFSA-N 472.565 2.292 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N(C)C1CCC2(CC1)OCCO2 1301515664 XAZBORIQXRKVPK-UHFFFAOYSA-N 459.522 2.420 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCc2cccc(C(=O)NC)c2)C1 1301535854 PIGVRJNJCCWEPU-FQEVSTJZSA-N 475.553 2.309 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc(C(N)=O)cc2)C1 1301543844 PWXKQUGNBLPZBJ-YKSBVNFPSA-N 455.559 2.247 30 10 JEEE C=CCSCCn1c(CC2CC2)nnc1N1C[C@@H]2[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1301617636 GJUNCOFISGJVFU-FGTMMUONSA-N 497.687 2.276 30 10 JEEE C=CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2ncccn2)CC1 1301617843 JSOYVSWUKUFJRQ-UHFFFAOYSA-N 470.628 2.305 30 10 JEEE CC(C)CN1CCO[C@@H](Cn2c(C(=O)N3CCCC3)nnc2N(C)Cc2cccc(C#N)c2)C1 1303200359 ASDXAXJMNQPEKR-JOCHJYFZSA-N 465.602 2.379 30 10 JEEE COc1ccc(CCn2c(C(=O)N3CCCC3)nnc2N2CCO[C@@H](C#N)C2)cc1Br 1315457463 DKIYQVTXWGLPJQ-INIZCTEOSA-N 489.374 2.257 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1OCC(C)C 1358890746 VCOMEUUNFTYGTD-RXVVDRJESA-N 475.615 2.152 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1CCC1CCN(CC(F)(F)F)CC1 1358968266 FIOVYFFNCMRRFV-UHFFFAOYSA-N 450.509 2.251 30 10 JEEE C#CCN1CCN(c2nnc(CSc3ccccc3OC)n2CC2(N(C)C)CCOCC2)CC1 1359039677 RCFOSKAASJAKNG-UHFFFAOYSA-N 484.670 2.445 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCc2nnc(C)s2)CC1 1359040533 YYONGMBBNZUZSM-HDICACEKSA-N 486.646 2.207 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCN2CCOC[C@H]2C)CC1 1359041351 UCYZYAQBDQEWID-WOJBJXKFSA-N 498.603 2.244 30 10 JEEE C#CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@H](NC(C)=O)C1 1359055556 HNDBNLQXNKSIAK-INIZCTEOSA-N 451.556 2.065 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(N2CCCC2)CCOCC1 1359113665 NOUCVHSEVRLXKU-IBGZPJMESA-N 451.637 2.228 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@H](OC)C(C)(C)C1 1359291792 BRXTWIMRALMPEV-KRWDZBQOSA-N 460.966 2.025 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1359304870 MDSKIKBBVABWAS-UHFFFAOYSA-N 485.564 2.025 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(C)nc4ccccc34)n2CCS(=O)(=O)N(C)C)C1 1359313130 HJXKKDINQRCKNV-GOSISDBHSA-N 470.599 2.474 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCn2cncn2)C1 1359320945 YAWCCSCAFWVXBK-LJQANCHMSA-N 472.594 2.466 30 10 JEEE C=CCOc1ccccc1CNC(=O)[C@@]12CN(C(=O)OC(C)(C)C)C[C@@H]1CS(=O)(=O)C2 1360321021 BRQNXAYFZVZAFZ-VGOFRKELSA-N 450.557 2.149 30 10 JEEE C[C@@H](Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C#N)C1)N(C)C1CC1 1360530664 CXCVZLJNUVPPMS-KXBFYZLASA-N 457.966 2.073 30 10 JEEE C[C@@]1(C#N)CCCN(c2nnc(C(=O)Nc3ccccn3)n2CCCN2CCCCC2=O)C1 1360780000 DBTGAEAVPRAARO-QHCPKHFHSA-N 450.547 2.458 30 10 JEEE Cn1cc([C@@H]2CN(C(=O)[C@@H]3CC(=O)N(c4ccc(C#N)cc4)C3)C[C@H]2NC(=O)OC(C)(C)C)cn1 1452021203 BGSXWAPLRJWBIT-JRGCBEDISA-N 478.553 2.164 30 10 JEEE C#CCCCn1c(-c2cccc(OC)c2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1507578219 XWHSWEYOEUIFAB-UHFFFAOYSA-N 478.597 2.307 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1CCOC(C)C)[C@@H]1CCS(=O)(=O)C1 1507627157 RARMXSGXPLGJRW-MRXNPFEDSA-N 484.420 2.098 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CCN2CCCC(C)(C)C2)CC1 1507739397 HBVRSGNDSGTVCF-UHFFFAOYSA-N 463.630 2.352 30 10 JEEE C#CCSCCn1c(N2CCC[C@@H](Cc3noc(C)n3)C2)nnc1[C@@]1(OCC)CCOC1 1507758256 KFBMKYWKTYINRR-PGRDOPGGSA-N 460.604 2.447 30 10 JEEE C=C(C)COCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1507838045 JNQZRAUXFQCICO-GBXCKJPGSA-N 477.613 2.398 30 10 JEEE C=C(C)COCCn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1507844859 RHOWBMOCUUTDHH-RBUKOAKNSA-N 455.625 2.220 30 10 JEEE C=C(C)COCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1507845129 BALIPUQAXZNSOG-UHFFFAOYSA-N 490.555 2.314 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2sc(C)nc2C)CC1 1507884506 IWYXJHGIKYOVHX-KRWDZBQOSA-N 466.633 2.083 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ncc(CC)s2)CC1 1507902036 HLRYGHFYAJYWCE-QGZVFWFLSA-N 466.633 2.081 30 10 JEEE C=CCCCCn1c(N2CCC[C@@H](N3CCCS3(=O)=O)C2)nnc1[C@]1(OCC)CCOC1 1507937429 QAOBFAGYYVJJTO-KNQAVFIVSA-N 467.636 2.291 30 10 JEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1508058863 INUTVQHQNLTOAA-WMZOPIPTSA-N 460.579 2.268 30 10 JEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)C[C@H]1c1cccc(OC)c1 1508059277 RWVNQQMCNGRQDB-UXPWSPDFSA-N 461.588 2.393 30 10 JEEE C=CCNC(=O)Cn1c(N2CC[C@H](Oc3ccccn3)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1508097265 HAURLNYXYQUMHE-OTWHNJEPSA-N 497.600 2.404 30 10 JEEE C#CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1539104700 OONAMSWJUTZTFZ-GOSISDBHSA-N 466.586 2.165 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCc1nnc(C)s1)[C@H]1CCS(=O)(=O)C1 1539213056 VCBOVLVZNJOABV-HNNXBMFYSA-N 478.003 2.023 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1Cc1cccc(C(=O)NCCC)c1)[C@H]1CCS(=O)(=O)C1 1539219659 LVJWFDKQKPLALQ-NRFANRHFSA-N 471.627 2.291 30 10 JEEE C#CCN(c1nnc(COCC)n1C[C@@H](c1ccco1)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 1539229997 AYVOFXINZPHIDM-PMACEKPBSA-N 475.615 2.262 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCC[C@H](O)C1 1539311915 BWUMSFFYKBSFAE-OALUTQOASA-N 454.600 2.252 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1539370801 GKSNUYCBCAHJCU-KNQAVFIVSA-N 466.586 2.193 30 10 JEEE C#CCN(CCOC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@]1(O)CCSC1 1539416216 LWQKSHFZUYBNOH-QHCPKHFHSA-N 479.647 2.347 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC2(COC)CCOCC2)CC1 1539434328 IAPQCQGJKLZLFL-UHFFFAOYSA-N 469.586 2.161 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H](C)c2nccs2)CC1 1539459855 PZFPEQOMGWYUCM-MRXNPFEDSA-N 455.613 2.285 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2cc(C)cc(OC)c2)CC1 1539469929 VUFXWDJEUBGAFC-SANMLTNESA-N 481.597 2.261 30 10 JEEE C=C(Cl)Cn1c(Cc2ccncc2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1539809930 DVMKTZARQSCZRX-LAUBAEHRSA-N 458.010 2.395 30 10 JEEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)N1CCc2ccccc2C1)C1CC1 1540095592 SQJCWOLOFHKCHF-ROUUACIJSA-N 458.632 2.490 30 10 JEEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1540859904 UFTGDYIPSGHTLI-UHFFFAOYSA-N 456.494 2.351 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(c2nccc(OCC)n2)CC1 1540872549 SGIVGFPPTXQETJ-UHFFFAOYSA-N 497.003 2.340 30 10 JEEE CN(C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1)c1ccco1 1552748888 FBGYRWAMKRSHDS-RBUKOAKNSA-N 454.556 2.336 30 10 JEEE COc1ccc(CCn2c([C@H]3CCC(=O)N3)nnc2N2CCC(C#N)CC2)c(OC)c1OC 1554907382 AMYYNTKITDIHJX-QGZVFWFLSA-N 454.531 2.238 30 10 JEEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2cccc(CN3CCN(C(C)=O)CC3)c2)c1 1567700973 YLUKYCQBHSPLJH-UHFFFAOYSA-N 453.564 2.400 30 10 JEEE C#CCNC(=O)CN1CCCN(C(=O)[C@@]2(c3ccc(OCC)cc3)CC2(Cl)Cl)CC1 1585000161 PLMIDCUHYVGRMC-NRFANRHFSA-N 452.382 2.184 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2CC2=CCCCC2)c1 1587683778 NWQBQFVOOGEKAM-KRWDZBQOSA-N 470.599 2.445 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@H]2CCO[C@H]2C(=C)C)c1 1587684511 XVOWTQCCLMSKQP-KNQAVFIVSA-N 464.570 2.454 30 10 JEEE C#CCCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)CCN1CCOCC1 1587711630 CQNQZPVYXYMQDZ-UHFFFAOYSA-N 473.647 2.119 30 10 JEEE C#CCCCn1c(Cc2ccccn2)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1587868759 CAAWTLRRXKYKEL-UHFFFAOYSA-N 468.558 2.327 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC(CC)(CC)SC)[C@H]1CCS(=O)(=O)C1 1588050322 RIANASOLMWZUKT-KRWDZBQOSA-N 450.634 2.227 30 10 JEEE C#CCN(c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H](OC)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1588051160 ZWIQYNAMJVUFIL-VQIMIIECSA-N 498.609 2.282 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2cnccn2)CC1 1589484157 RMIPXAAVFJLDPC-GHTZIAJQSA-N 468.606 2.294 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCOc2ccccc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1589557827 JFJYZIVDMMXDSJ-OFNKIYASSA-N 489.642 2.353 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C[C@H]2CCOC2)C1 1593884237 GFRANYGBAJQPTI-KURKYZTESA-N 474.027 2.007 30 10 JEEE C=CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(C)=O)C[C@@H]1C)c1ccccc1 1594536305 WARNQWFETXVUOL-BBTUJRGHSA-N 474.631 2.305 30 10 JEEE C=CCCCn1c(-c2cnccn2)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1594714160 SOIIRNVXXUDXGB-UHFFFAOYSA-N 453.572 2.353 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C)C1)C(C)C 1595170856 KWXHZMRMVIRRNS-VAMGGRTRSA-N 451.637 2.104 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1595496983 MZCBBGHXDONZPV-IAGOWNOFSA-N 472.590 2.192 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 1595529877 KQFMPJAFIVBSQL-CQSZACIVSA-N 461.452 2.094 30 10 JEEE C=CCNC(=O)Cn1c(N2CC[C@@](O)(Cc3cccc(Cl)c3)C2)nnc1[C@@]1(OCC)CCOC1 1595603128 YLJCTJBAYDZGSE-DNQXCXABSA-N 490.004 2.070 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1595777043 HMYPWVKYJYRJRZ-RHSMWYFYSA-N 496.519 2.156 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1595777401 MFKNJVXBBAQSEM-HXUWFJFHSA-N 472.615 2.128 30 10 JEEE C=CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1595851285 ZPOILUVIFYKWEL-QGZVFWFLSA-N 461.613 2.079 30 10 JEEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(-c2cccn2C)n1CC(C)(C)CN(C)C 1612884614 BOGJPIVAJFZGAN-GOSISDBHSA-N 462.606 2.248 30 10 JEEE C#Cc1ccc(NC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccccc2)c(Cl)c1 1648155471 IAPCOUFOLPQZMQ-SFHVURJKSA-N 454.957 2.042 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1ccc(N2CCOC2=O)cc1)[C@H]1CCS(=O)(=O)C1 1689990449 OQZBCDLAUOZNMN-FQEVSTJZSA-N 485.610 2.498 30 10 JEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1C[C@@H]1CCC[C@@H](O)C1)[C@@H]1CCS(=O)(=O)C1 1689993682 JLISDEYUXDZLNJ-YPAWHYETSA-N 486.638 2.250 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2cc(OC)ccc2OC(F)F)CC1 1690143055 ZZHVIUORPPAYFQ-UHFFFAOYSA-N 497.506 2.359 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1690248842 QJJQTEMPAQMADA-URVUXULASA-N 495.690 2.479 30 10 JEEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1C[C@@H](C)C[C@@H]1CC 1690662336 ZNAYNANVCMCYBY-RDJZCZTQSA-N 459.620 2.474 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1690668309 ZUEDVWPLZPJJIV-GOSISDBHSA-N 455.563 2.478 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCC2Cc3ccccc3C2)C1 1690686915 VYWYBTFKBFQDNL-DYESRHJHSA-N 459.616 2.475 30 10 JEEE C=CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@@H](C(=O)NC)C1 1690742258 KZZYGZYBQVRBMT-MRXNPFEDSA-N 467.599 2.074 30 10 JEEE CC(C)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(C(N)=O)CCCC2)CC1=O 1692430558 FXVFROPKNKALRN-UHFFFAOYSA-N 479.585 2.079 30 10 JEEE CCOCc1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CCNC(=O)c1ccco1 1696318771 BEUDCVWDPXFEDK-UHFFFAOYSA-N 463.542 2.426 30 10 JEEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1ccc(OC)nc1OC 1705540545 DVTUQLVBCSNKSE-UHFFFAOYSA-N 454.918 2.391 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CCC(=O)NCCC)[C@@H]1CCS(=O)(=O)C1 1705563424 XIPYRNSDKBVPKC-HXUWFJFHSA-N 457.600 2.051 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCN(C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1705566249 LVBLTIUWYWAUJW-NHCUHLMSSA-N 457.600 2.283 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1705590253 GMLMPLPIWIVPLY-WXVAWEFUSA-N 492.624 2.450 30 10 JEEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCC2(C1)OCCO2 1705601384 HNLUHFIUFJKGHD-SFHVURJKSA-N 453.568 2.276 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1CC(C)(C)N1CCOCC1 1705622575 MJOVQPPIYUFYEY-UHFFFAOYSA-N 465.396 2.233 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2CCCN2CCCCC2=O)CC1 1705646453 FRJOPVLZOAMYRC-UHFFFAOYSA-N 478.597 2.322 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1705707876 TVHNHCZUPMAFBL-HIUFNZKISA-N 460.623 2.148 30 10 JEEE C=CCCOCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1705831899 GWWMVMPHDLVMPK-VGOFRKELSA-N 461.588 2.247 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1[C@@H]1C[C@H]1CF 1705865105 QWUGBECZIDOCAO-UHOSZYNNSA-N 467.542 2.473 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1705899626 AQDSKGMEEYNIGX-UHFFFAOYSA-N 464.961 2.437 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2CC(=O)NCC(F)(F)F)c1 1722304624 AZENGUSDDPAUAT-UHFFFAOYSA-N 471.443 2.075 30 10 JEEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccccc1N1CCOCC1 1722357132 QJGGRLJCNRXXQL-UHFFFAOYSA-N 450.568 2.224 30 10 JEEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1C[C@H]1NC(=O)CC1(C)C)[C@@H]1CCS(=O)(=O)C1 1722372269 SQMJAESLIJGXOE-TZIWHRDSSA-N 499.637 2.015 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1cn(CCCC)nc1C 1722377398 ZKHWTHWINVOPKY-UHFFFAOYSA-N 454.542 2.347 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H]1CCS(=O)(=O)C1 1722387278 IZRPQUKNIRVMOL-LJQANCHMSA-N 453.568 2.045 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2Cc2ccccc2COC)CC1 1722449235 OLXVOZQQMRLWHF-UHFFFAOYSA-N 458.566 2.424 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2COc3ccccc3O2)n1CCCN(CC)S(C)(=O)=O 1722472291 BOPIZVKEPKUEEH-NZQKXSOJSA-N 473.599 2.454 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2OC)n1C[C@@H]1CC(=O)N(CCOC)C1 1722498123 PRCSSVFNYBFFOI-KBMIEXCESA-N 467.570 2.353 30 10 JEEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1722534591 SHIURDLIPNYPSS-QHCPKHFHSA-N 453.635 2.461 30 10 JEEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1722558852 AOHDBKXUUYYPCV-HKUYNNGSSA-N 460.966 2.180 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCCN1CCOCC1 1740540412 ZHORXTXBDDXUPO-SFHVURJKSA-N 473.647 2.117 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H](c1cccc(F)c1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1740621301 LGNNFNZDADMWBG-YADHBBJMSA-N 482.585 2.409 30 10 JEEE C#CCN(CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1740661860 LAHHJMVHNNSRMV-QRWLVFNGSA-N 452.964 2.081 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)ccc3C)n2Cc2nncn2CC)CC1 1740707869 TYCNVVOVDTVUIA-UHFFFAOYSA-N 476.585 2.099 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(S(=O)(=O)CC)CC1 1740751528 LIHYEXVWAZZSTQ-XLIONFOSSA-N 488.614 2.310 30 10 JEEE C=C(C)COCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1740786681 LRPNSNMDYJFZOI-IBGZPJMESA-N 454.531 2.381 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl 1740811186 NHKRTTQKJSFLIR-ZENOOKHLSA-N 484.837 2.384 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1740850282 FCSJQMGRBXKERB-HUUCEWRRSA-N 477.553 2.287 30 10 JEEE C=CC[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)NC)CC1)c1ccccc1 1740854254 DYDPIXOSMIFAIO-VQTJNVASSA-N 472.615 2.002 30 10 JEEE C=CCCCCn1c(-c2cc(Br)cn2C)nnc1N1CCN(S(C)(=O)=O)CC1 1740858613 VWSIIGFVXFMJRS-UHFFFAOYSA-N 471.425 2.484 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(C)OCCc2sccc21 1740932243 KCZKMZLVDYKQEJ-GCJKJVERSA-N 493.655 2.339 30 10 JEEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1740961730 XPPZTQMXDVNZAM-SFHVURJKSA-N 485.539 2.168 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CC[C@@](F)(C#N)C1 1740988404 DAKAPALYDRLCAW-OAQYLSRUSA-N 463.535 2.395 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3ccccc3n2)nnc1N(C)Cc1cnn(C)c1 1740988750 OHCVWMWWWADTGJ-UHFFFAOYSA-N 451.556 2.464 30 10 JEEE C=CCSCCn1c(N2CCN(c3cccnn3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1741005056 RUVUZMFXFJFHIM-JOCHJYFZSA-N 459.620 2.355 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cccc2c1OCCCO2 1744096235 BEVRAVSWLGORTI-GOSISDBHSA-N 454.531 2.135 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(-n2ccnc2C)c(F)c1 1748670532 AAAUZPXRMYDJGT-MAUKXSAKSA-N 456.547 2.320 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H]2CC=CCO2)c1 1748691247 BFXIJPYEYPNZST-SQJMNOBHSA-N 465.554 2.332 30 10 JEEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1748764732 URDLGTQVMWAGMJ-NJDAHSKKSA-N 493.674 2.241 30 10 JEEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 1748830498 XKRBRDZITKQGAK-RPLLCQBOSA-N 477.609 2.294 30 10 JEEE C#CCN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1(N2CCOCC2)CC1 1748906623 WTJVECOPEAEFRV-UHFFFAOYSA-N 456.978 2.186 30 10 JEEE C#CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@@H](CC(N)=O)C1 1749019845 DQWUGKFNCCHTDN-KRWDZBQOSA-N 475.018 2.320 30 10 JEEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](c2cccc(C)c2)C1 1749038840 XWSRDOUQWAPXMS-NHCUHLMSSA-N 489.667 2.280 30 10 JEEE C#CCSCCn1c(N2CCN(c3ncccc3C#N)CC2)nnc1[C@]1(OC(C)C)CCOC1 1749049666 NRJFEMSRMVYRTM-DEOSSOPVSA-N 481.626 2.278 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCN1c2ccccc2C[C@@H]1C 1749053477 HXYPEGFDTIWLJA-IUKKYPGJSA-N 456.616 2.332 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1749130968 OXOGPOMPWSCZQN-MHORFTMASA-N 491.580 2.234 30 10 JEEE C=C(C)COCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1749216463 NRJJWLHVTVZICR-DEOSSOPVSA-N 471.558 2.423 30 10 JEEE C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1749250107 YOXKRPPKOLBTPK-HOTGVXAUSA-N 461.954 2.045 30 10 JEEE C=CCCCn1c(COc2ccccc2F)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1749437664 LOGSIZMACAGNIG-INIZCTEOSA-N 454.510 2.494 30 10 JEEE C=CCCOCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1749450349 CZFRJEDELJDGJC-LJQANCHMSA-N 461.588 2.363 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCN(CC)C1 1749553062 DVMNLPCAFSWAEQ-QUCCMNQESA-N 494.687 2.207 30 10 JEEE C=CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1749589908 MBGMBWJKAQRCGB-JPYJTQIMSA-N 456.547 2.292 30 10 JEEE C=CCOc1ccccc1Cn1c(N2CCC[C@H](C(N)=O)C2)nnc1[C@]1(OCC)CCOC1 1749690284 VCMUEGRTCRVOID-CYFREDJKSA-N 455.559 2.245 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(CC)s2)C1 1749713791 YQHKBKAIPAGUAT-LPHOPBHVSA-N 481.644 2.065 30 10 JEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(c2ccnn2C)CC1 1749755737 LAXSDEBVRZRKJR-KRWDZBQOSA-N 450.634 2.217 30 10 JEEE COCCN(CCC#N)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@]1(O)CCC[C@@H]1C 1749828384 ACLZXFBUBCKUBC-XDHUDOTRSA-N 465.558 2.110 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H](C1CCCCC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1760190677 UBMJFGDZAHEQRA-GOTSBHOMSA-N 484.670 2.401 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1CCCNC(=O)C1CCC1 1760217898 QHMSABORVCTNBV-UHFFFAOYSA-N 457.538 2.363 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2COc3ccccc3O2)n1CCS(=O)(=O)C(C)(C)C 1760220199 XOMCEDCYMNMARG-FQEVSTJZSA-N 456.568 2.467 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1([S@@](C)=O)CCC1 1760235270 HSUKQAOARMILBK-UJQZNKFNSA-N 465.620 2.347 30 10 JEEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@@H](Cn2cccn2)C1 1760277118 ARPGPIQSRBKSCL-LJQANCHMSA-N 468.583 2.431 30 10 JEEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N(C)Cc1nc([C@@H](C)OCC)no1 1760310371 CRTTZUHTJXESDD-CYBMUJFWSA-N 468.356 2.426 30 10 JEEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1760359700 UOGGVIXSMQPDBA-UHFFFAOYSA-N 452.563 2.260 30 10 JEEE C=CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(CCOC)C(=O)C1 1760561225 UJASHLOOJOMQHV-UHFFFAOYSA-N 469.409 2.250 30 10 JEEE CC(C)C(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1763043204 ALMNLZAPPMJFOI-GOSISDBHSA-N 465.606 2.459 30 10 JEEE CN(C)C(=O)CCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1768438480 FHCVUDTXJWAQAK-HXUWFJFHSA-N 465.558 2.017 30 10 JEEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2C[C@H](C)O[C@@H](C)C2)CCO1 1770940177 DVFGKIVSIQVYAR-IPJJNNNSSA-N 454.575 2.168 30 10 JEEE C[C@H]1CN(CCN(C)c2nnc(-c3cccc(C#N)c3)n2CCN2CCSCC2)C[C@@H](C)O1 1771504726 GRCORZREFVKEKX-BGYRXZFFSA-N 469.659 2.411 30 10 JEEE N#Cc1ccccc1S(=O)(=O)Nc1ccc(N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)nc1 1858444709 LJHBCZJMXIIHSU-UHFFFAOYSA-N 491.529 2.445 30 10 JEEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1[N+](=O)[O-] 1862754706 PYYMHCMURXUJHX-SFHVURJKSA-N 454.395 2.217 30 10 JEEE N#Cc1c(NC(=O)COc2cn(CCCO)c(CN3CCCC3)cc2=O)sc2c1CCC2 1870324555 PMPDOFPOOFZQNY-UHFFFAOYSA-N 456.568 2.266 30 10 JEEE C=CCOc1cn(CCN2C(=O)CSC2=O)c(CN(CCO)Cc2ccccc2)cc1=O 1870388030 DPLPPDFGRMAVGT-UHFFFAOYSA-N 457.552 2.103 30 10 JEEE C#CCOc1cn(Cc2ccc(S(N)(=O)=O)cc2)c(CNc2ccc(N(C)C)cc2)cc1=O 1871008025 CWALACVFTFKLRL-UHFFFAOYSA-N 466.563 2.234 30 10 JEEE COc1cc(Br)cc(/C=N/n2c(SCC(N)=O)nnc2[C@@H]2CCCO2)c1O 1874444766 KMETZDZGNZLZSP-MDIIPYEWSA-N 456.322 2.066 30 10 JEEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)Cn3nc(-c4cccs4)ccc3=O)CC2)CC1 1891101581 USRNUQMGYKUQLZ-UHFFFAOYSA-N 497.665 2.009 30 10 JEEE C#CCOCCOCC[S@](=O)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 2019053808 RSFIJJPAMXLPLK-HUBRWUETSA-N 485.558 2.393 30 10 JEEE Cc1csc([C@H](C#N)C(=O)COC(=O)C=Cc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2Cl)n1 2042447106 JDWHLWQEWGIRMS-UKRRQHHQSA-N 482.971 2.402 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)NC[C@@H]1C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C1 2060126970 CKBINWYDCCXHQG-YLFCFFPRSA-N 454.568 2.354 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2180984457 WCJLBWINUQXYRH-RTBURBONSA-N 460.380 2.015 30 10 JEEE Cc1c(B2OC(C)(C)C(C)(C)O2)csc1C(=O)NCC1(NC(=O)OC(C)(C)C)COC1 2255601653 HKIIOYOFJVDHIO-UHFFFAOYSA-N 452.382 2.379 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)CC[C@@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2256678046 KHNQJCPXOBMYHZ-CHWSQXEVSA-N 453.370 2.141 30 10 JEEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C 2256733433 NLNDPUCVTMRDEK-HNNXBMFYSA-N 454.398 2.281 30 10 JEEE CC(C)(C)OC(=O)NCCc1csc(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)n1 2267145892 JLBXPTOZRNZTPC-UHFFFAOYSA-N 463.369 2.485 30 10 JEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@]1(NC(=O)OC(C)(C)C)CCOC1 2267510427 LDAQFXUDFFCOMT-JOCHJYFZSA-N 450.341 2.301 30 10 JEEE C[C@H](NC(=O)COC1CN(C(=O)OC(C)(C)C)C1)c1nscc1B1OC(C)(C)C(C)(C)O1 2268705074 GCBNIQYPMIVNHG-ZDUSSCGKSA-N 467.397 2.255 30 10 JEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@H]1CN(C)CCN1C(=O)OC(C)(C)C 2281809405 HHCFKGYOYMYYDF-INIZCTEOSA-N 463.384 2.168 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@](F)(CNC(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)C1 2282197167 KQLFQRQSEPIFCN-QFIPXVFZSA-N 468.331 2.284 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@]1(C)CNS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282345349 GPCMWPNVEYBBJA-JOCHJYFZSA-N 481.424 2.449 30 10 JEEE CCn1cc(C(=O)N[C@@]23CC[C@H]2CN(C(=O)OC(C)(C)C)C3)nc1B1OC(C)(C)C(C)(C)O1 2282540594 LNPVDFMTIBWSQJ-NPMXOYFQSA-N 460.384 2.332 30 10 JEEE Cn1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)CCC23CC3)c(B2OC(C)(C)C(C)(C)O2)n1 2282577854 KNDPGPWWNXHJGR-UHFFFAOYSA-N 460.384 2.335 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2CN(C(=O)[C@H]3C[C@@H](B4OC(C)(C)C(C)(C)O4)C3)CCN2C1=O 2282646614 QFABEZCIYCAQSX-TWMKSMIVSA-N 463.384 2.195 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(CNS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2282834370 SUUGSRPHLNIAFE-QKKBWIMNSA-N 499.464 2.119 30 10 JEEE CC(C)(C)OC(=O)N[C@]12CCC[C@@H]1CN(C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)C2 2283070101 UWNHQBMPEVDIOF-CMJOXMDJSA-N 458.368 2.295 30 10 JEEE CN(Cc1ccccc1B1OC(C)(C)C(C)(C)O1)C(=O)[C@@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C 2283953490 TXFZWSVMUHQXKY-MJGOQNOKSA-N 460.380 2.315 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC(N(C)C(=O)OCc3ccccc3)C2)n1C 2315628811 CIFQJVFMGBZQMK-UHFFFAOYSA-N 468.363 2.121 30 10 JEEE NC(=O)CSc1nnc(Cc2ccccc2F)n1N=Cc1cc2c(cc1[N+](=O)[O-])OCCO2 2329727344 IKEDKVUNJVLTQL-UHFFFAOYSA-N 472.458 2.147 30 10 JEEE C=CCN(CC=C)c1nc(NC(=O)C=Cc2ccc(OC)cc2OC)n([C@H]2CCS(=O)(=O)C2)n1 2331675583 AWVWFXQYYBLUIJ-SFHVURJKSA-N 487.582 2.485 30 10 JEEE CCCCCCCCCCCCCC=C[C@H](O)[C@@H](CO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)N(C)C 2333278379 SJWBHOQBARABKH-URGBZLTBSA-N 489.694 2.351 30 10 JEEE CCO[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)[C@H]1NC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2337403410 OHYSQBHVZVQRHS-RBSFLKMASA-N 467.397 2.243 30 10 JEEE COc1ccc(NC(=O)[C@H](O)[C@@H](C)NC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2339735183 GDXCHDWDVPKGEE-CXAGYDPISA-N 450.341 2.207 30 10 JEEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)C1 2362356973 KLCUSSZZTNUTCW-HZPDHXFCSA-N 462.400 2.485 30 10 JEEE CC(C)(C)OC(=O)NC[C@]1(Oc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)CCCS(=O)(=O)C1 2368395375 WDHLCWKCDXIKKH-JOCHJYFZSA-N 482.408 2.232 30 10 JEEE Nn1c(N/N=C/c2c(O)ccc3ccccc23)nnc1SCC(=O)NCc1ccc2c(c1)OCO2 20916118 OYJDGZUUPYZLFW-KBKYJPHKSA-N 491.533 2.434 30 10 JEEE C=CCOC(=O)C1=C(C)N=c2s/c(=C3/C(=O)N(C)c4ccccc43)c(=O)n2[C@@H]1c1cccs1 35341539 HCANCDJJISBDSG-LFVOPCPISA-N 477.567 2.373 30 10 JEEE CCCCOC(=O)C(=O)/C(=C/NC(=S)N/N=C1\C(=O)Nc2ccccc21)C(=O)C=C(C)C 109936874 ZSKAUGMHJUSKAF-NTCAYCPXSA-N 456.524 2.139 30 10 JEEE COC(=O)c1ccc([C@@H]2C(C(=O)/C=C\c3ccco3)=C(O)C(=O)N2CCN2CCOCC2)cc1 111831429 UKPLYRGFPFLCIS-FMFFHWJCSA-N 466.490 2.376 30 10 JEEE COc1ccc(NS(=O)(=O)c2ccc(NN=C(C)CC(=O)N3CCOCC3)c([N+](=O)[O-])c2)cc1 254473169 ZWMFZFXHJIEZRF-UHFFFAOYSA-N 491.526 2.441 30 10 JEEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Br)ccc1Br 316164816 TXEMUAWXTQRGSH-LLVKDONJSA-N 471.192 2.023 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)O[C@@H](C)C(=O)N[C@@H]3CCN(Cc4ccccc4)C3)cc2C1=O 853260788 ICIBIJAVZKENQF-FXAWDEMLSA-N 461.518 2.405 30 10 JEEE COC(=O)c1ccc(C=NNc2nnc(SCCC(=O)Nc3cccc(NC(C)=O)c3)n2N)cc1 1084544593 CPPVPPAVXCJYBH-UHFFFAOYSA-N 496.553 2.304 30 10 JEEE CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)N1CCOCC1)/C(=N/OC(=O)COc1ccccc1)C2 1088736192 LBXAOFMVNXVJBC-IYLFQUNGSA-N 450.557 2.453 30 10 JEEE C#CC[C@H](NC(=O)CCC(=O)N1CCN(C2c3ccccc3-c3ccccc32)CC1)C(=O)OC 1141995047 GUUURRLSKNQECZ-QHCPKHFHSA-N 459.546 2.362 30 10 JEEE C#CC[C@H](CCOC)NC(=O)c1ccc(NC(=O)C[C@@H]2SC(N3CCCC3)=NC2=O)cc1 1149972515 VBGRBFYHLNIDNY-MJGOQNOKSA-N 456.568 2.267 30 10 JEEE Cc1cc(NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)ccc1C(=O)N(C)C 1215372672 IAHWFSNCCWYEMW-UHFFFAOYSA-N 455.540 2.107 30 10 JEEE C=CCOc1ccccc1CNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 1226925342 HINOLUXNVJMZBM-HXUWFJFHSA-N 452.559 2.346 30 10 JEEE C[C@H](CNC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)c1ccc(S(C)(=O)=O)cc1 1233850220 APZHORWJDNBHOK-HFTRVMKXSA-N 450.561 2.252 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2OC)CC1 1246895765 AZUMPBDIEJSLGH-KXBFYZLASA-N 457.980 2.346 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3noc4c3COCC4)n2C[C@H](F)COC)c1 1286308817 DQNVQOORBVDCRM-INIZCTEOSA-N 468.489 2.047 30 10 JEEE C#CCCCCn1c(Cc2csc(C)n2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1286328701 PQPGKHJTSHYFTI-UHFFFAOYSA-N 489.627 2.077 30 10 JEEE C#CCCCn1c(N2CCN(CC(=O)N3CCCC[C@H]3C)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1286359891 MKFBNDDPMDYBPU-ATIYNZHBSA-N 486.661 2.255 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1CCCS1)[C@@H]1CCS(=O)(=O)C1 1286382425 JFSQBPCLTRDJCZ-XLIONFOSSA-N 476.624 2.485 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCC2(O)CCOCC2)CC1 1286471903 OTFCCSLXWNFSPM-IBGZPJMESA-N 457.550 2.244 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1286609253 YVRVCFLZQIWJRA-QZTJIDSGSA-N 483.635 2.219 30 10 JEEE C=CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1)c1ccccc1 1286678378 VZYYZEDTVQUZNM-AFYVEPGGSA-N 488.614 2.183 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCOC2)n1CCC(=O)N1CCOCC1 1286743103 ZOQPBJPJDNMDPQ-NRFANRHFSA-N 450.543 2.095 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CCN(c2cnn(C)c2)CC1 1286817059 OQYOYRZKLVDJAW-UHFFFAOYSA-N 469.615 2.168 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 1286820633 ONLXFNSPXFNMAL-PXNSSMCTSA-N 492.598 2.191 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCO[C@H](c2ccccc2)C1 1286823079 RFLDGWAARNLOCT-NRFANRHFSA-N 453.568 2.443 30 10 JEEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 1286823294 LQFJYTALLGDFFS-GOSISDBHSA-N 498.719 2.282 30 10 JEEE Cc1cc(C)n(Cc2nnc(N3CCN(c4ccc(C#N)cc4F)CC3)n2C[C@@H](C)N(C)C)n1 1290645056 DJDVGVSOMHBCKO-LJQANCHMSA-N 465.581 2.427 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@H]2CCOC[C@H]2C)c1 1300330523 BWGVUFQIEWWTSJ-IEBWSBKVSA-N 452.559 2.145 30 10 JEEE C#CCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1300441352 LTAKKBBSPPOSCB-HKUYNNGSSA-N 458.544 2.127 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1CCNC(=O)c1ccc(C)cc1 1300541030 JSNRBXPSJUBRLL-UHFFFAOYSA-N 451.534 2.328 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CC(F)(F)CNC(=O)OC(C)(C)C 1300553768 RQIUPUYLHWQHTJ-UHFFFAOYSA-N 464.517 2.137 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CC(F)(F)CO1 1300606700 RLGTZMCBZPFQPV-INIZCTEOSA-N 453.515 2.079 30 10 JEEE C#CCN(CCOC)c1nnc(CC2CCCC2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1300674673 BYCLUJROWIWGNQ-SFTDATJTSA-N 463.648 2.301 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(O)CC(OCC)C1 1300789417 LQHTWOYAFDDOOE-PDGCRQIGSA-N 458.584 2.271 30 10 JEEE C=C(Br)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)Cc1cnn(C)c1 1300829408 BVJQLTWVGQWXNN-UHFFFAOYSA-N 494.419 2.474 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@]1(O)CCO[C@H]1C 1300904636 DERPBODJBBXABM-JTSKRJEESA-N 463.604 2.138 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1301137763 XMLNWJXJOBQBES-QZTJIDSGSA-N 481.667 2.073 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1301578406 ZZSFKDBPEHDYTI-SFHVURJKSA-N 475.615 2.296 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@](C)(C#N)C1 1301588032 ZYWYWKLXCZLYCZ-JOCHJYFZSA-N 453.572 2.247 30 10 JEEE CS[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1302565597 FJVINUFPXDTSCG-MJGOQNOKSA-N 490.655 2.485 30 10 JEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)[C@@H]2CC(c3cc(F)ccc3F)=NO2)c1 1356458030 OJIJBYFYMHUUTD-QFIPXVFZSA-N 453.445 2.331 30 10 JEEE C#C[C@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1358894849 YIHCCMXXEFNSHR-FUHWJXTLSA-N 461.492 2.238 30 10 JEEE C#CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCS(=O)(=O)CC1 1358918022 ITXKTNOKOLWZNX-KRWDZBQOSA-N 451.593 2.388 30 10 JEEE C#CCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1358934078 OWEFLUPKVSKJFH-UHFFFAOYSA-N 450.543 2.408 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1CCS(=O)(=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1358964977 LKGIOGVCSANSPY-HXUWFJFHSA-N 492.667 2.017 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1Cc1ccc(OCC(F)(F)F)nc1)[C@@H]1CCS(=O)(=O)C1 1358966421 OSWIQDHRRCZVBB-QGZVFWFLSA-N 483.516 2.242 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCN(CCC)C1 1359003081 XQAGNCAHXUUCSM-IBGZPJMESA-N 458.632 2.387 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCOC(C)(C)C 1359025452 PAJSLKISOLCVFY-GOSISDBHSA-N 465.595 2.488 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3noc4c3COCC4)n2CCCN(C(C)C)C(C)C)CC1 1359043983 PZWYRZRQVZWNHW-UHFFFAOYSA-N 497.644 2.481 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCC[C@H]2CCCCO2)CC1 1359046869 JATSXDDPMLRAJF-JOCHJYFZSA-N 467.618 2.455 30 10 JEEE C#CCSCCn1c(N2CCN(c3ccc(C(N)=O)cc3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1359061804 MQQADUAOJLOXKM-VWLOTQADSA-N 498.653 2.111 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Cl)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1359074243 WCXTUNGWIRSUMA-HTAPYJJXSA-N 456.934 2.491 30 10 JEEE C=CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C2CC2)C(=O)C1 1359199403 UOHKBVBUHLNSDV-UHFFFAOYSA-N 472.615 2.363 30 10 JEEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1359219376 OZWCUXQZLQQTOV-SFHVURJKSA-N 471.587 2.002 30 10 JEEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 1359225957 RDTDIWDRZNFFPH-UHFFFAOYSA-N 453.522 2.259 30 10 JEEE C=CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCN/C(O)=C1/N=CC=CC1=O 1359230892 IKGBWAPXHMAIGZ-ZZEZOPTASA-N 469.933 2.010 30 10 JEEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CC2CCOCC2)CC1 1359287599 NQGBCLMKOCUYQK-HXUWFJFHSA-N 476.622 2.321 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1359296595 OHIPNORLBIIAHV-OALUTQOASA-N 482.585 2.292 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1359302108 WYVKAVHVSWQOAE-UHFFFAOYSA-N 469.565 2.037 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(C(=O)OCc2ccccc2)CC1 1359302501 JLXGACNCHCLXFE-UHFFFAOYSA-N 475.553 2.025 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCCOC2)C1 1359334461 GRCXUCQAEVGTGL-QHCPKHFHSA-N 471.583 2.336 30 10 JEEE N#Cc1cn(CCC(=O)N2CCC[C@H](c3nc(-c4ccc(Cl)cc4)no3)C2)c(=O)nc1O 1442805685 AJQPSONBSRFTGM-AWEZNQCLSA-N 454.874 2.320 30 10 JEEE CCn1cc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3ccc(C#N)cc3F)CC2)cn1 1502225784 AKPFTNSGDBJRHY-UHFFFAOYSA-N 465.537 2.018 30 10 JEEE COC1CCN(C(C)(C)Cn2c(-c3cccc(C#N)c3)nnc2N2CC(=O)N(C)C[C@H]2C)CC1 1504491950 CDEQILIFVOPWGC-GOSISDBHSA-N 465.602 2.373 30 10 JEEE COC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1)OC 1504578112 AJFAHECKQJSYTD-GOSISDBHSA-N 480.491 2.373 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC[C@](C)(O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1507634141 WWFJLEWQXOQKAF-ZYKOEDHHSA-N 472.611 2.097 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCO[C@@H]1CCCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1507637101 HIAZSOVYNYMPSL-CTWRKMMKSA-N 494.658 2.224 30 10 JEEE C#CCN(c1nnc(COCC)n1Cc1ccccc1-n1nc(C)cc1C)[C@H]1CCS(=O)(=O)C1 1507639113 VWNAKYWAGGNFNJ-NRFANRHFSA-N 482.610 2.292 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CC2([S@](C)=O)CC2)CC1 1507739872 GMCABHXGNALERH-UMSFTDKQSA-N 483.638 2.351 30 10 JEEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1507753259 DJMLMELNMLUQDS-IEBWSBKVSA-N 457.604 2.284 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)OCCOC)n1C[C@@]1(N2CCOCC2)CCSC1 1507765218 QQQMEXDPKAIVME-PMOQBDJRSA-N 463.648 2.202 30 10 JEEE C=CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCN(S(C)(=O)=O)CC1 1507945893 LOOKZZBUPVHUGS-UHFFFAOYSA-N 485.614 2.113 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(OC)c(OCC)c(OC)c1 1507984119 UHDOYAUTADEFJT-MRXNPFEDSA-N 450.561 2.267 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cnn(CC)c1 1508003211 UTYVDJYTIVCREJ-NRFANRHFSA-N 485.614 2.068 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1508099417 WTQGONVSDCZMBR-DENIHFKCSA-N 496.612 2.167 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCc2cc(OC)c(OC)cc2CC1 1508138226 YPKOTFXHQCXNAD-UHFFFAOYSA-N 471.583 2.496 30 10 JEEE CN(Cc1ccc(C#N)cc1)c1nnc(CN2CCCC2=O)n1CC(C)(C)N1CCOCC1 1517106930 BJWXCUKCJNURJV-UHFFFAOYSA-N 451.575 2.019 30 10 JEEE CNS(=O)(=O)CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC(CC#N)CC1 1517627244 DYDOZJQPRMTXHJ-GOSISDBHSA-N 495.650 2.072 30 10 JEEE CO[C@@H]1CCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1518560745 BICYSJLAHPLJLE-HMXCVIKNSA-N 472.615 2.397 30 10 JEEE COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)c2nccs2)CC1 1518650114 APLUQYDFBXBATH-INIZCTEOSA-N 451.556 2.372 30 10 JEEE C[S@@](=O)C1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)CCC1 1519625800 ADOKWBSZGOOOQB-VPTFNQTCSA-N 461.613 2.131 30 10 JEEE CC(=O)N[C@H](C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C)c1cccc(Br)c1 1535349533 GJAKAINMMQPTTN-ACJLOTCBSA-N 457.332 2.025 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CC(=O)NCC1CC1)[C@H]1CCS(=O)(=O)C1 1539203724 UBEJLGHQZNDSCJ-CTNGQTDRSA-N 499.637 2.188 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2cccc(C(=O)N[C@H](C)CC)c2)CC1 1539429714 BVUNMFKRWIHOFA-JIPXPUAJSA-N 494.640 2.262 30 10 JEEE C=C(Br)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)CC(=O)N1CCOCC1 1539587468 DEWZLKYJHPRQAJ-UHFFFAOYSA-N 480.363 2.166 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(CC(=O)N(C)C)CC1 1539645240 MCWAVGOGDLLPBT-KKSHJYNMSA-N 488.677 2.388 30 10 JEEE C=CCCCn1c(N2CCN(c3nccc(OC)n3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1540021531 SUVQHIGMDCSOJS-QHCPKHFHSA-N 457.579 2.410 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(N(C)C)CCSC1 1540186575 DVJWZWOTKRDGCS-GCJKJVERSA-N 479.672 2.446 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCc2c(ccnc2O)C1 1540901270 YGRLCJSIOKFHDB-UHFFFAOYSA-N 455.540 2.218 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCN(c2cccc(C)c2)CC1 1540904259 KUTZCLJPKUEHIU-UHFFFAOYSA-N 466.611 2.500 30 10 JEEE CC(C)N1CCC(O)(Cn2c(COc3ccc(C#N)cc3)nnc2Nc2ccn(C)n2)CC1 1541620381 AATIWSLSUAXQAZ-UHFFFAOYSA-N 450.547 2.441 30 10 JEEE CC[C@H](C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1545691733 HSKFGIOPFHPLSC-IBGZPJMESA-N 493.612 2.197 30 10 JEEE Cn1ccnc1C(=O)N1CC2(CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)C[C@H]1C(N)=O 1548380211 UJIJKEGRBJMPJH-KRWDZBQOSA-N 460.460 2.297 30 10 JEEE CN(C)[C@@]1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(S(C)(=O)=O)CC2)CCSC1 1552794824 FPARWIADWSLEHF-JOCHJYFZSA-N 474.656 2.267 30 10 JEEE COC[C@H](Cn1c(CC2CCCC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C)OC 1555257883 IBGFNFHJNNZVJL-MJGOQNOKSA-N 454.579 2.049 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCN(CCc2ccccc2)C1 1587640205 QBPRCLKTHCTWRK-NNWRFLSQSA-N 455.628 2.203 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(Br)s2)n1C[C@@H]1CC(=O)N(CCOC)C1 1588105210 PMVQDSPZTJZGGQ-OAHLLOKOSA-N 476.400 2.337 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1589484702 VUDJTCIVCWPZOL-SBHAEUEKSA-N 460.623 2.482 30 10 JEEE C=CC1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@H](C)N2CCOCC2)CC1 1594202245 IQSXJPWNEISRII-IBGZPJMESA-N 488.658 2.319 30 10 JEEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1594783600 FSUUYNRHSMXYFQ-UHFFFAOYSA-N 456.522 2.099 30 10 JEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(c2nccnc2C)CC1 1595405363 LUQNYLZQYJHYQT-SFHVURJKSA-N 470.578 2.198 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCc2c(ccnc2N(C)C)C1 1595490706 XSOHXCOINRKFLF-UHFFFAOYSA-N 485.390 2.362 30 10 JEEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)C[C@H]1CC=CCC1 1595529949 NPKXDZKTXLGFQV-KRWDZBQOSA-N 457.604 2.333 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 1595760030 JXCOHNGJFGEDQH-GOSISDBHSA-N 451.637 2.477 30 10 JEEE CC(C)(Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](CC(N)=O)C1)N1CCOCC1 1597751766 GTAKZDXPBPEKMR-LJQANCHMSA-N 451.575 2.019 30 10 JEEE CC(C)C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1)N(C)C 1603190509 CTNQZVOMKPBFKH-GHTZIAJQSA-N 473.647 2.263 30 10 JEEE N#Cc1cc(Cl)ccc1S(=O)(=O)NCCC(=O)N1CCN(c2ccc(F)cc2)CC1 1621659268 DQYWJWFPYSQAIB-UHFFFAOYSA-N 450.923 2.368 30 10 JEEE CCS(=O)(=O)c1ccc(N2CCC(NS(=O)(=O)c3ccc(F)cc3C#N)CC2)cc1 1621701248 DIEJAJKJUIBHHI-UHFFFAOYSA-N 451.545 2.438 30 10 JEEE C#CCC[C@H](O)CNC(=O)c1ccc(OC)c(S(=O)(=O)NCc2ccc(Cl)cc2)c1 1639434647 QEEXWTZAHJUYAO-SFHVURJKSA-N 450.944 2.331 30 10 JEEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCn3c(Cc4ccccc4F)nnc3C2)c1 1639851916 JIMPZGAKDUYTDN-UHFFFAOYSA-N 455.515 2.128 30 10 JEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3ccccc3OC)C2)cc1 1639896135 KHGVRSOSVWRZIH-GOSISDBHSA-N 455.536 2.098 30 10 JEEE CCC(CC)CN(CCC#N)S(=O)(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 1661400726 HZWCBHMPMGEPRS-UHFFFAOYSA-N 457.618 2.357 30 10 JEEE N#Cc1ccc(N2CCN(C(=O)NCc3cccc(S(=O)(=O)C(F)(F)F)c3)CC2)nc1 1684839800 HNRKCBTZEKRIAD-UHFFFAOYSA-N 453.446 2.279 30 10 JEEE C#CCN(c1nnc([C@H]2COc3ccccc3O2)n1CC(C)(C)OCC)[C@H]1CCS(=O)(=O)C1 1689990477 PBLMEZRGIPSBJU-FXAWDEMLSA-N 474.583 2.232 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CCN(C)Cc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1689994143 RWSWEZCDUUTJAN-HSZRJFAPSA-N 496.612 2.162 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1690113355 HJFNLPVMWAMDGZ-KFHWJWAOSA-N 473.581 2.102 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(N3CCOCC3)cc2)CC1 1690137015 MJTHFLSMOACVBG-UHFFFAOYSA-N 464.614 2.426 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2CC2CCC(OC)CC2)CC1 1690152159 AJFLWYJWUZPSCT-UHFFFAOYSA-N 498.653 2.441 30 10 JEEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1690165966 PDZXWIREUFMPMQ-AUSIDOKSSA-N 477.638 2.172 30 10 JEEE C#CCSCCn1c(CCCc2ccccc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1690181304 UAKVQLVQXRITEU-UHFFFAOYSA-N 494.665 2.091 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N1CCO[C@@H](CNC(C)=O)C1 1690252543 GBEBMWQAJANZAY-MSYCTHLASA-N 473.549 2.319 30 10 JEEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(Cn2nc(C)cc2C)CC1 1690328911 QFWQTTITAOOBAK-MRXNPFEDSA-N 456.016 2.371 30 10 JEEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 1690464608 GXUHSKVKPRDUHP-QUCCMNQESA-N 499.703 2.367 30 10 JEEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCNC(=O)OC(C)(C)C 1690518269 BZDFTBOUGIOQLA-UHFFFAOYSA-N 464.592 2.342 30 10 JEEE C=CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1690640824 ITNKVJGTXIMMRE-MSOLQXFVSA-N 479.585 2.228 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC(N2CCCCC2=O)CC1 1690659019 HIUVHKJKAAZCDG-UHFFFAOYSA-N 493.612 2.431 30 10 JEEE CC(C)NC(=O)c1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1CCNC(=O)c1ccco1 1692501302 DHCDHFVKWWOHFH-UHFFFAOYSA-N 461.526 2.480 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCc1ccc(OC(F)(F)F)cc1 1692779111 BOXIURNNQBZMEJ-ACJLOTCBSA-N 490.483 2.472 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@]1(N(C)C)CCSC1)[C@@H]1CCS(=O)(=O)C1 1705562961 NQMQRWKLQCKIQY-DYESRHJHSA-N 495.074 2.058 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H](C)Oc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1705564963 GHAQRFLNTWYPMR-NSHGMRRFSA-N 476.574 2.405 30 10 JEEE C#CCN(c1nnc(COc2ccccc2OCC)n1CC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1705569009 YEJPWTOWUIXRPB-HXUWFJFHSA-N 488.610 2.309 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc(-c2cnn(C)c2)n1CCC(=O)N1CCOCC1 1705862596 PNZNHCWIBVSBFE-UHFFFAOYSA-N 453.522 2.259 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(S(C)(=O)=O)CCCC1 1705879863 NMKQUGGXPCCLBS-SFHVURJKSA-N 496.655 2.366 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@]1(O)CCN(C)C1 1705884536 QWSHVBVAMMNCJI-YADARESESA-N 478.638 2.098 30 10 JEEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1705888099 FJLJFFMGZRRPNP-HNNXBMFYSA-N 472.537 2.454 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H](C(N)=O)C1 1705938203 PZNKEGTZSYICKI-SFHVURJKSA-N 489.642 2.457 30 10 JEEE CCNC(=O)C(C)(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)C[C@H](C)C#N 1710311466 DGQLOUUMJHULOC-QGZVFWFLSA-N 453.595 2.210 30 10 JEEE CN(C)C(=O)[C@H]1CCCN1CCCn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1cnn(C)c1 1710972219 FSUPWXKAPRPXPE-JOCHJYFZSA-N 475.601 2.129 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1CC(C)(C)COC)[C@@H]1CCS(=O)(=O)C1 1722360274 SJVIRTGJSBIHAL-GOSISDBHSA-N 476.599 2.262 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccc3c(c2)CCCN3C)CC1 1722428778 AOJFOOVIKRUIFD-UHFFFAOYSA-N 463.630 2.382 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccccc2COCCC)CC1 1722430109 XGKBLNXHBGKXIG-UHFFFAOYSA-N 450.587 2.244 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@H](C)N2CCOCC2)CC1 1722434477 STZYZGKTQJEOSO-SFHVURJKSA-N 473.419 2.184 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCOc1ccc(F)cc1 1722459578 NLHUGHJIQOVMDB-INIZCTEOSA-N 452.577 2.201 30 10 JEEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](NC(=O)CC)C1 1722494718 SDSNJZQGWVUYDT-UXLLHSPISA-N 456.385 2.406 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(CCOC)[C@H](C)C1 1722507213 XGRWVNCPOIKMAM-DXIQSLLYSA-N 488.658 2.408 30 10 JEEE C=C(Cl)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@]2(CNC(=O)C2)C1 1722552325 OOCKZPWRRBQABC-VFNWGFHPSA-N 466.970 2.055 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(Cc1ccccc1)CC1CCOCC1 1722692583 RZPATRWROGIPHX-UHFFFAOYSA-N 466.586 2.250 30 10 JEEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C)c2ccccc2C1 1722732239 IYAPSWFZDSPWKZ-INIZCTEOSA-N 450.634 2.264 30 10 JEEE CC(C)OC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCC2(O)CCOCC2)CCO1 1723706575 AIJKGZYYTCBXLK-JOCHJYFZSA-N 485.585 2.291 30 10 JEEE Cc1ccc([C@H](Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@H](C#N)C2)N(C)C)cc1 1724262234 GSZFWAFRRNXEKP-UXHICEINSA-N 460.542 2.266 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCNC(=O)C(C)(C)C 1740547844 BLVHNPFLYYHOLA-IRXDYDNUSA-N 462.595 2.207 30 10 JEEE C#CCCCn1c(CCOc2ccccc2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1740594138 CEKKAKXOOCZVDU-FQEVSTJZSA-N 457.600 2.317 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1CCCOc1ccccc1C)[C@@H]1CCS(=O)(=O)C1 1740622290 BLLKOIRZRLHLDP-LJQANCHMSA-N 466.567 2.139 30 10 JEEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1C[C@@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1740626725 CEJKHJFZBOYECI-SJLPKXTDSA-N 466.007 2.087 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CCN1CCCCCC1)[C@H]1CCS(=O)(=O)C1 1740628687 SNKAACNTTUSJCZ-QFIPXVFZSA-N 496.637 2.231 30 10 JEEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCn1cc(Br)cn1 1740665702 NEDGTJOPQBUAQK-UHFFFAOYSA-N 481.362 2.430 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1740744648 CWJDJIQRLQHJDK-HUUCEWRRSA-N 459.352 2.067 30 10 JEEE CC(=O)N1CCN(CCn2c(-c3cccc(Br)c3)nnc2N(C)C[C@H](C)C#N)CC1 1741056273 FMOOOUOLJMBWGP-MRXNPFEDSA-N 474.407 2.468 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccc(OCCOC)cc1)[C@@H]1CCS(=O)(=O)C1 1748802425 PUNNQKQHIKOULJ-LJQANCHMSA-N 460.600 2.276 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1(N(C)C)CCOCC1 1748859619 XGZZGSYJBRSNBO-BGYRXZFFSA-N 470.618 2.232 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCN(CC)C1 1748881124 CLELFAAMUGSTJL-FQEVSTJZSA-N 468.627 2.000 30 10 JEEE C#CCN(CC#CC)c1nnc(COc2ccc(Cl)cc2)n1CCN1CCCS1(=O)=O 1748902427 FKWYAGGWQDAXAW-UHFFFAOYSA-N 461.975 2.009 30 10 JEEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1749044525 RKACMJXEIZYWNN-UHFFFAOYSA-N 452.588 2.034 30 10 JEEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2ncc(F)cn2)CC1 1749046594 CCBBEYVEFUFZNB-UHFFFAOYSA-N 478.557 2.351 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccn(-c2ccc(F)cc2)n1 1749054341 RYORRBAITCXCGY-GAJHUEQPSA-N 485.589 2.448 30 10 JEEE C=C(Br)Cn1c(-c2noc3c2COCC3)nnc1N1C[C@H](C)O[C@H](COC)C1 1749097981 LTOWXSBVOLFPJT-STQMWFEESA-N 454.325 2.155 30 10 JEEE C=C(C)Cn1c(Cc2ccccn2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1749196141 APKNROKNVSCSJZ-UHFFFAOYSA-N 459.601 2.116 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)c2ncc(C)s2)CC1 1749303703 NMPFVRMXHUXQCW-DOTOQJQBSA-N 466.633 2.336 30 10 JEEE C=CC1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@]2(C)CN(C)C2=O)CC1 1749342783 OQGCFRTYRXCUNP-KOSHJBKYSA-N 474.606 2.467 30 10 JEEE C=CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCC(OCC(N)=O)CC1 1749416044 TYRNHBGKMZPDDU-UHFFFAOYSA-N 451.369 2.483 30 10 JEEE C=CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)on2)n1CC(=O)N1CCOCC1 1749597569 HGIQSFCDEDOVFC-UHFFFAOYSA-N 452.515 2.098 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1749663931 BPHXTWHOQNQGJB-INIZCTEOSA-N 477.960 2.277 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 1749734533 KFYDYPQJYMEHNT-UHFFFAOYSA-N 473.643 2.359 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1760099551 IITLTWOXFGNETE-AXHZCLLHSA-N 468.606 2.277 30 10 JEEE C#CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1760135269 PCLVFXDWSQQSIR-IBGZPJMESA-N 492.605 2.105 30 10 JEEE C#CCN(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1760178774 ZWSHJFXKRMPLEC-IBGZPJMESA-N 457.538 2.467 30 10 JEEE C#CCN(c1nnc(C)n1Cc1cccc(OCC)c1OC(F)F)[C@H]1CCS(=O)(=O)C1 1760180628 IJELHCMOXWUGHO-INIZCTEOSA-N 454.499 2.262 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H](C)Oc1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1760189111 NQLPTCCXFLTCGU-QZTJIDSGSA-N 469.567 2.376 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@H]1N(C)CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1760190327 PDGBNVXJJFXFAV-NHCUHLMSSA-N 470.643 2.011 30 10 JEEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(OC)cc2OC)CC1 1760263050 LWOLTFGUAIUBOV-UHFFFAOYSA-N 452.584 2.455 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](CC)c3ccccc3)n2C[C@]2(O)CCO[C@@H]2C)CC1 1760265841 KDMKUKBWEHTGSF-KCVHQNEMSA-N 465.598 2.326 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nnc(CC)s2)CC1 1760267052 SSGRELKTVCHWJR-UHFFFAOYSA-N 460.567 2.245 30 10 JEEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H]2CCCCCC[C@H]21 1760281485 NITAZYPATVKFBA-OTWHNJEPSA-N 467.661 2.136 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCOC[C@H]1C 1760294693 DQSQIUXCKOXLFM-UMEGOILYSA-N 488.633 2.299 30 10 JEEE C=C(C)Cn1c(N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)nnc1[C@]1(OCC)CCOC1 1760349190 CQBKTFWKZSULQZ-VGSWGCGISA-N 451.568 2.236 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC1(C)C 1760501065 GBLAPMLHMZIMDH-IEBWSBKVSA-N 463.604 2.485 30 10 JEEE C=CCn1c(-c2cc(OC)ccc2Br)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1760507380 CFXSGVTZJYGIAC-ZDUSSCGKSA-N 487.362 2.434 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1760551879 VIVSQBHNAXWRKU-MOPGFXCFSA-N 459.572 2.043 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1760552999 IWYFBXWXIGJHMD-SFHVURJKSA-N 475.615 2.248 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCCO[C@@H](c3ccccc3)C2)nnc1[C@@]1(OCC)CCOC1 1760558009 CURKZTYUCGKTOS-ZJSXRUAMSA-N 490.626 2.499 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC(NC(=O)c2ccccc2)CC1 1760560125 YNTOFCZWBQGHSZ-HXUWFJFHSA-N 473.599 2.129 30 10 JEEE CC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCN2S(C)(=O)=O)CCS1 1763580936 GTDREAQMUGAMAC-QUCCMNQESA-N 490.655 2.485 30 10 JEEE CCCn1nc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@](C)(O)CCC)c2ccccc2c1=O 1766172021 HCILYQIPCIIZFS-MZNJEOGPSA-N 465.558 2.345 30 10 JEEE CCCNC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCC2(O)CCOCC2)C1 1766197828 FFIYWOQRXPAUAB-OAQYLSRUSA-N 496.612 2.403 30 10 JEEE Cc1cc([N+](=O)[O-])ccc1-n1cc(/C=N\NC(N)=S)c(-c2ccc3c(c2)N(C)C(=O)CO3)n1 1857808296 ZZOGYTGWDNGBLE-AQHIEDMUSA-N 465.495 2.278 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCNC(C)=O)[C@@H]2c2ccc(OC)c(OC)c2)cc1OC 1862579554 QTZHMTBNHGCKPA-JOCHJYFZSA-N 484.505 2.435 30 10 JEEE CN(C)CCCN1C(=O)c2ccc(C(=O)NC(C)(C)C(=O)Nc3ccc(C#N)cc3)cc2C1=O 1866610940 HTNTUYWUFGEYOF-UHFFFAOYSA-N 461.522 2.253 30 10 JEEE COc1ccc(NC(=O)[C@H](CO)NC(=O)C2CCN([C@@H](C#N)c3cccs3)CC2)c(C)c1 1866867208 NOLZXDJMSVCLGW-PMACEKPBSA-N 456.568 2.458 30 10 JEEE C=CCN=c1nc(N2CCC(C(N)=O)CC2)[nH]c(=Nc2cccc(OCc3ccccc3)c2)[nH]1 1871634440 WATRJMKMNMLMLF-UHFFFAOYSA-N 459.554 2.338 30 10 JEEE COc1cc(/C=N/n2c(C)nnc2SCC(=O)OCC(C)C)ccc1OCCN1CCOCC1 1874533002 NCXXZZPOVIEPIY-ZVHZXABRSA-N 491.614 2.480 30 10 JEEE CCN1CCN(CC#CCOC2CCN(C(=O)c3cc(-c4cccs4)nn3C)CC2)CC1 1890158860 WERPZJYFCRFMTL-UHFFFAOYSA-N 455.628 2.411 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@@](C)(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2180985604 RJYCNWCGAGWRPE-IVZQSRNASA-N 462.356 2.177 30 10 JEEE Cc1cc(S(=O)(=O)NC2CN(C(=O)OC(C)(C)C)C2)sc1B1OC(C)(C)C(C)(C)O1 2247880783 LKGUJDYKDLGOGU-UHFFFAOYSA-N 458.411 2.253 30 10 JEEE Cc1nc(I)c(I)n1CC1(C)CC(N)(C#N)C1 2251384032 LYJWSOMJRGLIHJ-UHFFFAOYSA-N 456.069 2.422 30 10 JEEE Cn1nc(C(=O)NC[C@H]2CCN2C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2255816414 FBHKVIDCQHTOLE-GFCCVEGCSA-N 454.764 2.112 30 10 JEEE CC1(C)OB(c2cc(C(=O)N3CCC(CNC(=O)OCc4ccccc4)CC3)[nH]n2)OC1(C)C 2255828931 ZKLDRFDANNYVQL-UHFFFAOYSA-N 468.363 2.488 30 10 JEEE CC1(C)OB(c2cc(C(=O)N[C@H]3CCOC[C@H]3NC(=O)OCc3ccccc3)ns2)OC1(C)C 2255833514 DYOFGRYPAPBCRN-FUHWJXTLSA-N 487.387 2.256 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@@](F)(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2267515826 URVQQTNSMWPEHQ-OAQYLSRUSA-N 452.336 2.178 30 10 JEEE C[C@@H]1CC[C@H](CNC(=O)C(F)(F)F)N(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)C1 2267535695 ZWNOMYUTFJWUTR-VXGBXAGGSA-N 461.315 2.362 30 10 JEEE COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1NC(=O)[C@@H](O)CCNC(=O)OC(C)(C)C 2268701355 OKPHFEBDAYODFG-INIZCTEOSA-N 450.341 2.209 30 10 JEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NCC1(O)CCN(C(=O)OC(C)(C)C)CC1 2281809466 ZWLCCDXSHNSWEV-UHFFFAOYSA-N 464.368 2.379 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@@]2(CCNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2281928180 KDZFXWQCMIRORP-IQMFZBJNSA-N 460.384 2.476 30 10 JEEE C[C@@H](NC(=O)OC(C)(C)C)c1n[nH]c(NC(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)n1 2282062447 YOIWEOLXSVJIJM-GFCCVEGCSA-N 458.328 2.337 30 10 JEEE C[C@@H]1CCN(S(=O)(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1NC(=O)C(F)(F)F 2282348913 RAIPIUNXSMFLRS-HIFRSBDPSA-N 476.326 2.063 30 10 JEEE CC(C)(C)OC(=O)NCCCN(CCO)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2282416903 CHXNGNUFTLJRSZ-UHFFFAOYSA-N 466.359 2.474 30 10 JEEE CN(Cc1ccccc1)[C@@H]1CCCN(S(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C1 2282494176 XOKFJNYTMBFKNP-LJQANCHMSA-N 474.436 2.004 30 10 JEEE CCn1cc(C(=O)N=[S@](C)(=O)C[C@H](C)NC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2282535893 VELQWOOBNHLPQW-RPLXOIEJSA-N 484.428 2.353 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCCO[C@H]2[C@@H]1NC(=O)c1occc1B1OC(C)(C)C(C)(C)O1 2282541470 YNUVWAXRHWJGMJ-RKTXRCNFSA-N 462.352 2.379 30 10 JEEE Cc1nn(C)c(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2F)c1B1OC(C)(C)C(C)(C)O1 2282559459 PMCFTOGVKXHNPF-GJZGRUSLSA-N 466.363 2.105 30 10 JEEE Cc1cc(C(=O)N[C@@]23CO[C@@H](C2)[C@H](NC(=O)OC(C)(C)C)C3)oc1B1OC(C)(C)C(C)(C)O1 2282576118 MSECLFBOPOIEBS-KKAKJJSRSA-N 462.352 2.442 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@@H]2NS(=O)(=O)c1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2282844975 LGKZNGJBRGGMBZ-JEBQAFNWSA-N 482.383 2.411 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C1 2283956940 UYJNAMFGDZZMAY-MOPGFXCFSA-N 458.364 2.198 30 10 JEEE CO[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2284042077 RGJUQJFDLXDZJL-HOTGVXAUSA-N 481.424 2.331 30 10 JEEE CC(C)(C)OC(=O)N1CC(OCC(=O)N2Cc3cccc(B4OC(C)(C)C(C)(C)O4)c3C2)C1 2284049165 PQHKAKNPNCIFRB-UHFFFAOYSA-N 458.364 2.464 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@@H](CC(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C1 2284125860 QHMUCZWRCNTIHJ-HNNXBMFYSA-N 481.424 2.332 30 10 JEEE COc1ccc([C@@H]2C(=C(O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN2CCOCC2)cc1 2297744189 ACDCCZUFTXDRNZ-HSZRJFAPSA-N 480.517 2.220 30 10 JEEE COC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(OC)c(B2OC(C)(C)C(C)(C)O2)c1 2339735233 GTOSNSIZRMSIRL-MRXNPFEDSA-N 450.341 2.473 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2C[C@H](C1)N(C(=O)c1ncc(B3OC(C)(C)C(C)(C)O3)cn1)C2 2359278972 LVOKKWGDOZZGRC-DJIMGWMZSA-N 458.368 2.294 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC2(CC2)C1 2362343719 JPXMHBXVNWLUME-OAHLLOKOSA-N 460.384 2.239 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C 2362464932 MHXOKNWPQZYPIM-LBPRGKRZSA-N 476.305 2.295 30 10 JEEE CO[C@H](CNC(=O)OC(C)(C)C)CNS(=O)(=O)c1ccc(C)cc1B1OC(C)(C)C(C)(C)O1 2365421201 FAIOROZPSMSELL-MRXNPFEDSA-N 484.424 2.112 30 10 JEEE COc1ccc(NC(=O)CSc2nnc(N/N=C/c3ccccc3[N+](=O)[O-])n2N)c(OC)c1 59884718 SAULHLZHKTUOPG-UFFVCSGVSA-N 472.487 2.094 30 10 JEEE C[C@H]1CN(C(=O)c2nn(C)c(=O)c3ccccc23)C(=Nc2cccc(S(=O)(=O)N(C)C)c2)S1 254392724 ZPVBOQVWMXOVFN-AWEZNQCLSA-N 485.591 2.449 30 10 JEEE O=C(N[C@H]1CCNC[C@@H]1C(=O)/C=C/c1ccc([N+](=O)[O-])s1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 585838890 MQJSXRGXBMOWLU-KNULBASVSA-N 475.439 2.463 30 10 JEEE CCOCCn1c(=C(C#N)C(=O)Nc2ccc(Cl)cc2)sc(=Cc2cnn3ccccc23)c1=O 729669380 NIRLLBXXNCZHJF-UHFFFAOYSA-N 493.976 2.389 30 10 JEEE C#CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(CCN(C)C)CC(=O)O 757399881 GZGFYWFRXAUTSL-HSZRJFAPSA-N 463.534 2.392 30 10 JEEE CC1CCC(C#N)(N(C)C(=O)[C@@H](C)OC(=O)C2=NN(c3ccc(F)cc3)[C@@H](C(N)=O)C2)CC1 913202700 AIVKSSSUZHJJPL-FKRNMINDSA-N 457.506 2.108 30 10 JEEE C=CCN1C(=O)C(=O)N(CC(=O)NCC2(c3ccc(Br)cc3Cl)CC2)C1=O 1273827729 DRULAJHLXICASS-UHFFFAOYSA-N 454.708 2.227 30 10 JEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cc(C)nc(C(C)C)n2)CC1 1286314959 ANHZDOPKZZLVRO-LJQANCHMSA-N 488.662 2.240 30 10 JEEE C#CCCCCn1c(Cc2ccncc2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1286329229 UJCUCPXZRDEEKW-UHFFFAOYSA-N 477.613 2.008 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CC1(OCC)CCCC1)[C@@H]1CCS(=O)(=O)C1 1286395990 UUXGCQHAJXASDV-HXUWFJFHSA-N 457.600 2.240 30 10 JEEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1CC(=O)NCCc1ccccc1 1286431426 XMLSQFUUUZQMMG-UHFFFAOYSA-N 465.561 2.338 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1c(C)nn(C)c1C 1286462169 FKMYSOVRYDLINY-UHFFFAOYSA-N 474.569 2.160 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2CCCN2C[C@H](C)O[C@@H](C)C2)CC1 1286494801 RLHLZNCRDLSRCB-SFTDATJTSA-N 470.662 2.476 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2C[C@H](C)CN2CCN(CC)CC2)CC1 1286494982 WLLLAKOUULSKJT-JOCHJYFZSA-N 483.705 2.250 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H]1CN(CC)c2ccccc2O1 1286608896 VGHMQUAJCRBRAK-PMACEKPBSA-N 489.642 2.497 30 10 JEEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1286611280 HQNSBHFGKIAYSF-SFHVURJKSA-N 470.574 2.307 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCOC[C@H]1OC 1286769266 PASPRBUSYSMIMN-SLFFLAALSA-N 495.621 2.277 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)CCc2ccc(OC)cc2)CC1 1286783195 NNFXOCQYZWNWKF-UHFFFAOYSA-N 492.580 2.439 30 10 JEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CC[C@](O)(c2ccc(F)cc2)C1 1286789094 AMSRTNWKYYFCTP-JOCHJYFZSA-N 456.547 2.173 30 10 JEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CC[C@@](O)(c2ccc(F)cc2)C1 1286789097 AMSRTNWKYYFCTP-QFIPXVFZSA-N 456.547 2.173 30 10 JEEE CC(=O)N1CCN(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCS[C@@H](C(C)C)C2)CC1 1286888914 BXKUVXOAIBSYSN-HSZRJFAPSA-N 497.669 2.471 30 10 JEEE C#CCCN1CCC(NC(=O)c2cccc(S(=O)(=O)Nc3ccc4c(c3)OCO4)c2)CC1 1293933959 YBCZSVNKCQGPTK-UHFFFAOYSA-N 455.536 2.434 30 10 JEEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 1300336545 IXXCQMOCIKPCRQ-UHFFFAOYSA-N 484.626 2.219 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1Cc1cc(COC(C)(C)C)on1)[C@@H]1CCS(=O)(=O)C1 1300495745 KAVVUOOPPYGFGG-GOSISDBHSA-N 463.604 2.455 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@]2(OCC)CCOC2)n1C[C@]1(C)CN(C)C1=O 1300641539 BZQTXCHZTFDUNY-BJKOFHAPSA-N 455.534 2.187 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(C(=O)N3CCCC3)n2C[C@H]2CC[C@@H](F)C2)n1 1300676356 NISQIQMZLIOUGY-RBUKOAKNSA-N 457.554 2.135 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2C[C@H](C)N(CC)CC)CC1 1300724694 BZCIHPGRBOICAK-CVDCTZTESA-N 480.613 2.487 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OC)n2Cc2snnc2C)CC1 1300731296 NEFIVZZADQWHFB-UHFFFAOYSA-N 481.582 2.040 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccccc2OC)nnc1N1CCN(C(=O)COC)CC1 1300896934 LZMHRXHQSBJXGW-YADARESESA-N 485.585 2.142 30 10 JEEE C=C(C)COCCn1c(-c2cc(Br)cn2C)nnc1N1CCN(C2CC2)C(=O)C1 1300974015 BHOOYOUTLFIOSX-UHFFFAOYSA-N 463.380 2.450 30 10 JEEE C=C(C)COCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(C(C)=O)CC1 1300975545 WRHILWMYJZSYQI-UHFFFAOYSA-N 459.547 2.232 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2nc(C)c(C)s2)CC1 1301086641 MEZJCIDIJYHYFL-KRWDZBQOSA-N 466.633 2.083 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CCOC2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1301151305 LSBIAUIBDHSCEG-SFHVURJKSA-N 457.579 2.441 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@H]1[C@H]1CCCO1 1301479106 TZVCBVZCLKJURU-RBUKOAKNSA-N 472.977 2.312 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CC[C@](O)(c2ccc(C)cc2)C1 1301587855 AKFDMCYWVZPPHS-WMZHIEFXSA-N 460.600 2.179 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC(C(=O)NC2CCCCC2)CC1 1301589172 ONVMFXCKTLIMJU-IBGZPJMESA-N 479.647 2.048 30 10 JEEE CS(=O)(=O)c1ccc(OCCn2c(-c3cnccn3)nnc2N2CCC(CC#N)CC2)cc1 1302426703 CBHLFBDNUWMKRS-UHFFFAOYSA-N 467.555 2.348 30 10 JEEE N#C[C@@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccnc(OCC(F)(F)F)c2)C1 1302977689 BZIVLZXNCLCFDX-KSSFIOAISA-N 488.467 2.007 30 10 JEEE C#CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@H](C(=O)OC)C1 1359048181 IBORIHKWFIPZBF-INIZCTEOSA-N 461.975 2.227 30 10 JEEE C=C1CCN(c2nnc(-c3cc(OC)ccc3Br)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1359161272 XDQATBFOMVVOMA-FQEVSTJZSA-N 497.415 2.422 30 10 JEEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(Nc2cc(OC)cc(OC)c2)CC1 1359287821 XXLXOYGRWWSJAW-MRXNPFEDSA-N 461.588 2.464 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 1359298736 KJTRTVZSWVCHFZ-GOSISDBHSA-N 453.591 2.329 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCC[C@H]1c1cnn(C)c1 1359304938 OHDKYJWJAGFFTB-FQEVSTJZSA-N 451.531 2.243 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)c2c(F)cccc2F)CC1 1359331421 YKXAKVASSUEUIM-UHFFFAOYSA-N 490.536 2.115 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1359332842 IGPKICWTOFHAQS-SFHVURJKSA-N 453.653 2.157 30 10 JEEE N#CCCN(C(=O)CCC(=O)Nc1ncn(CC(=O)N2CCCCCC2)n1)c1ccccc1 1434995732 DNNSERMPXOYOJC-UHFFFAOYSA-N 451.531 2.346 30 10 JEEE N#Cc1cccc(-c2nnc(N3CCC[C@@H](OCC(F)(F)F)C3)n2CCN2CCCS2(=O)=O)c1 1505313631 BXBFSDUCPZGNPQ-GOSISDBHSA-N 498.531 2.400 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCSCC)c1 1507550875 RBHYNANKALTUCL-SFHVURJKSA-N 475.640 2.380 30 10 JEEE C#CCN(c1nnc(-c2cn(C)c3ccccc23)n1C[C@@H](F)COC)[C@@H]1CCS(=O)(=O)C1 1507630605 CYQLYSLZVDKIAV-IAGOWNOFSA-N 459.547 2.048 30 10 JEEE C#CCN(c1nnc(COCC)n1C[C@@H]1CCC2(CCCCC2)O1)[C@@H]1CCS(=O)(=O)C1 1507637579 LCPKFBKTTAEZFM-MOPGFXCFSA-N 450.605 2.323 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCCS(=O)(=O)c2ccccc2)CC1 1507739656 SSVLOTIHDCSGAG-JOCHJYFZSA-N 499.637 2.350 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cn(C)c3ccccc23)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1508137731 QOHYFNOBPCAZAE-QZTJIDSGSA-N 473.599 2.278 30 10 JEEE CS(=O)(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1519521009 GAOCCDIZXKEEHS-UHFFFAOYSA-N 489.964 2.375 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc(OC)c(OC)c1Cl 1538975068 XHJATFRZQXCTQW-KBPBESRZSA-N 469.995 2.260 30 10 JEEE C#CCN(c1nnc(C(C)C)n1C[C@H]1CCCN1C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1539203812 VKPVYKQVFVLISI-MSOLQXFVSA-N 465.620 2.428 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCOC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1539229451 DFJMPAXXPSWXKY-HLAWJBBLSA-N 483.594 2.028 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCN1CCCCC1=O 1539260127 LHBWYYPPLZFSST-UHFFFAOYSA-N 471.565 2.150 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(O)CCOCC1 1539263313 FDPIJMMWBVVICQ-IBGZPJMESA-N 457.575 2.007 30 10 JEEE C#CCSCCn1c(CC2CC2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 1539524699 NESBMIBESRKBJQ-TZIWHRDSSA-N 458.676 2.414 30 10 JEEE C=C(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1539714705 UHVNDPFLRLQYSB-UHFFFAOYSA-N 454.623 2.287 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1539915878 FQWJXGHWJBNVMQ-IBGZPJMESA-N 458.607 2.393 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC2(CC1)CNC(=O)C2)C(C)C 1540152137 QCELIINFYCFYRT-PMACEKPBSA-N 469.634 2.034 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC(NC(=O)NC2CCCCC2)CC1 1540900897 MCPPZGUMGYTNOS-UHFFFAOYSA-N 489.646 2.475 30 10 JEEE CC#CCNC(=O)c1cccc(S(=O)(=O)N(C)c2c(C)n(C)n(-c3ccccc3)c2=O)c1 1546312948 OQYUZQTWHBQKQG-UHFFFAOYSA-N 452.536 2.063 30 10 JEEE COC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](N2CCCC2)C1)OC 1555260067 GMJZZHQRUXAGEB-IFMALSPDSA-N 454.575 2.455 30 10 JEEE CS[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1)C(C)(C)C 1555847712 CLPFYRBWWRPHRK-SFHVURJKSA-N 487.678 2.434 30 10 JEEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CN(Cc2ccccc2)CCCO1 1587921534 ARORMNBJPKSMPH-RDGATRHJSA-N 453.587 2.291 30 10 JEEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1588089382 KHFJLFGMMSQEEZ-TYBLODHISA-N 457.619 2.279 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(OC)ccc1OC(F)F 1588228118 BEOYJPYCCHABPU-INIZCTEOSA-N 478.521 2.301 30 10 JEEE C#CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C)C(=O)[C@@H]1C 1589126048 VYNCAZHEEZMPRU-IRXDYDNUSA-N 462.620 2.383 30 10 JEEE C=C(Cl)Cn1c([C@H]2CCCOC2)nnc1N1CCN(S(=O)(=O)N(CCC)CCC)CC1 1593878999 NKDMIIDSKYXIHV-SFHVURJKSA-N 475.059 2.413 30 10 JEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2cccs2)CC1 1595883775 BDEOPMXKJKNAAS-KRWDZBQOSA-N 467.686 2.483 30 10 JEEE N#CC[C@@H]1CCCN(C(=O)c2ccc(Br)c(S(=O)(=O)N3CCOCC3)c2)C1 1632699287 BUUWKANPBIEFQV-AWEZNQCLSA-N 456.362 2.236 30 10 JEEE C=CCC[C@H](NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(C)=O)cc1)C(=O)OCC 1635698905 PHSGLWFQGYPCHX-PMACEKPBSA-N 450.557 2.447 30 10 JEEE CC(C)(C)OC(=O)N1CCC2(CC1)CC(C(=O)N1CC[C@@H](Oc3ccc(C#N)cn3)C1)=NO2 1636786073 HXKXKDXYXJFNAG-QGZVFWFLSA-N 455.515 2.479 30 10 JEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@@H](CC)[C@@H](O)C(F)(F)F)nnc12 1638536119 RUFMVAQVWKMYET-SWLSCSKDSA-N 455.462 2.140 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@H]1CC(F)(F)CO1)[C@@H]1CCS(=O)(=O)C1 1689982341 KWHIIYCSRKGSDP-SJLPKXTDSA-N 466.510 2.005 30 10 JEEE C#CCN(c1nnc(C2CCCC2)n1CCNC(=O)c1ccc(C)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1689990611 QLJAJSNRPOLLBA-HXUWFJFHSA-N 487.601 2.440 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@@H](CC)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1689992717 OGAPSHCZLNWBAA-FGZHOGPDSA-N 485.654 2.379 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1Cc1c(F)cccc1Cl)[C@H]1CCS(=O)(=O)C1 1689998437 MAOYOXUZSSZPRS-FTRWYGJKSA-N 496.992 2.470 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1CCS(=O)(=O)CC1 1690017735 KQYXHNBURCOVLI-FQEVSTJZSA-N 489.642 2.290 30 10 JEEE C#CCN1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCCCCOC)CC1 1690124526 NOVCNFJBWZHXJX-UHFFFAOYSA-N 452.607 2.024 30 10 JEEE C=C(Br)Cn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1690224460 MRYOIJPYTHGUNP-UHFFFAOYSA-N 493.793 2.434 30 10 JEEE C=CC1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCN2CCOC[C@@H]2C)CC1 1690402732 NUNWFTLXBRSPAE-SFHVURJKSA-N 459.616 2.472 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccsc1Br 1690526643 ASHWMPNTEDWAMW-ZDUSSCGKSA-N 476.422 2.106 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CCN2CCCC[C@@H]2C)CC1 1690669728 NJDLVOSDBJPIOK-AZUAARDMSA-N 457.623 2.012 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 1690724069 HNAWIZWQDQYKDF-GOSISDBHSA-N 493.655 2.105 30 10 JEEE CC(=O)N1CCC[C@@H](Cn2c(N3CCO[C@@H](C#N)C3)nnc2[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)C1 1690813910 WBKCIUYIIQOVFZ-ZRNYENFQSA-N 487.605 2.036 30 10 JEEE CC(C)(C)c1nnc(N2CCN(c3oc(C4CC4)nc3C#N)CC2)n1CC(=O)NCC(F)(F)F 1691098848 BJCHRJSGMLNFLL-UHFFFAOYSA-N 480.495 2.318 30 10 JEEE CC(C)C(=O)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCSC2)CC1 1691407996 HIOJTVKXQPPWMT-HSZRJFAPSA-N 454.600 2.379 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cccnc1OCC(F)(F)F 1694352475 BZVQQXVNNGTSMN-INIZCTEOSA-N 481.479 2.310 30 10 JEEE COc1cc(Cl)ccc1-c1nnc(N2CCC(CC#N)CC2)n1C[C@]1(O)CCS(=O)(=O)C1 1697283011 GXHJXDZIFADCCL-OAQYLSRUSA-N 479.990 2.287 30 10 JEEE COCc1nc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC(=O)N(C)C[C@@H]2C)cs1 1697833424 DLPVJVUVJJYKME-HNNXBMFYSA-N 467.555 2.047 30 10 JEEE N#CCC1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1698491572 GQSGJXOCCDBJQD-NRFANRHFSA-N 463.991 2.202 30 10 JEEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1Cc1cc(C)nn1C)[C@@H]1CCS(=O)(=O)C1 1705568398 MXSFKJILERPSEN-HXUWFJFHSA-N 482.610 2.191 30 10 JEEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1705568838 VXOJVUHURBVFQP-SQNIBIBYSA-N 475.640 2.333 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@H]1CC=CCO1)[C@@H]1CCS(=O)(=O)C1 1705569524 DPBAEPDEJALEIT-IAGOWNOFSA-N 462.522 2.119 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1CC1(OCCOC)CCOCC1 1705575386 JCYCHCAPSYWXDF-UHFFFAOYSA-N 490.402 2.331 30 10 JEEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCC(=O)NCc1ccccc1 1705611205 TVNCPRYWYLBUQU-UHFFFAOYSA-N 479.610 2.404 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3c(C)cc(Cl)cc3C)n2Cc2nnn(C)n2)CC1 1705632816 CHZKEWAAVUPLNR-QGZVFWFLSA-N 469.981 2.015 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H]2CC=CCO2)CC1 1705652734 LJLBDIBNJZROAZ-QHAWAJNXSA-N 498.628 2.360 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccccc2C)nnc1N1CCN(S(C)(=O)=O)CC1 1705701402 GCTUYMNRPNLRMC-RBBKRZOGSA-N 459.616 2.240 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N1CCC(NS(C)(=O)=O)CC1 1705709133 LHZLNCIBDYSLPD-VGSWGCGISA-N 493.605 2.495 30 10 JEEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(CN2CCOCC2)CC1 1705739717 OLTUBCNEPITHDE-UHFFFAOYSA-N 457.623 2.281 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOC)[C@@H](CC)C1 1705792041 LFJZKCXNCCZXGK-MOPGFXCFSA-N 453.653 2.330 30 10 JEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](Oc2ncccc2F)C1 1705819162 FCOIOYGYDJMHLE-IEBWSBKVSA-N 494.593 2.159 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCN2CCN(C(C)=O)CC2)C1 1705928345 DIZKLTMCLOCSRC-QFIPXVFZSA-N 489.020 2.456 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CCOC2(CCOCC2)C1 1705933559 LHIUEFWFMABWBW-UHFFFAOYSA-N 460.600 2.494 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](c2ccnn2C)C1 1705934277 HUFNTTHJHDCLNP-GOSISDBHSA-N 455.588 2.367 30 10 JEEE COCC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCCCC2)CC1 1712108115 DMHALMFYBXYZGN-UHFFFAOYSA-N 452.559 2.243 30 10 JEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C 1722401478 ZJMDRTCBRMRUCX-LJQANCHMSA-N 456.591 2.366 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CCS(=O)(=O)Cc2ccccc2)CC1 1722446761 AUEVFEXXOINSMU-UHFFFAOYSA-N 471.627 2.057 30 10 JEEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC2(CCC2)C[C@H]1CC 1722462229 UPFNTPZEIPUPHB-MSOLQXFVSA-N 467.661 2.136 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1722468224 LMMCHGGYGAFMPG-IFXJQAMLSA-N 481.420 2.309 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N(C)Cc1ccc(C(=O)NC)cc1 1722500581 CHMIZDQUTXLNJS-NFBKMPQASA-N 466.586 2.378 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCCN(C(=O)C(C)C)CC1 1722519882 UFNMXSWMVPYYRX-UHFFFAOYSA-N 474.631 2.466 30 10 JEEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1722534036 GXIOAWLXMAHEEZ-UHFFFAOYSA-N 461.570 2.282 30 10 JEEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(CC)C[C@H]1COc2ccccc2O1 1722542563 CZINHZSSHLQKJM-CABCVRRESA-N 455.968 2.307 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2cc(F)cc(F)c2)CC1 1722566458 RUCWZVYHFZBTPW-IBGZPJMESA-N 467.542 2.288 30 10 JEEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)N(CC)CC)CC1 1722685953 NLCWSLIQFFLODP-GOSISDBHSA-N 477.610 2.356 30 10 JEEE C=CCOc1ccccc1Cn1c(-c2cnn(C)c2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1722707604 UOSMUFXZCOPCNO-UHFFFAOYSA-N 485.614 2.057 30 10 JEEE C=CCS(=O)(=O)CCn1c(CSc2ccc(C)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1722731102 DLIDXSWSUHJSHL-LJQANCHMSA-N 498.696 2.493 30 10 JEEE C=CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(C(=O)OCC)CC1 1722737698 OVZZYYNOLWLOFH-UHFFFAOYSA-N 483.598 2.390 30 10 JEEE CC(C)CCN(CCC#N)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@]1(O)CCS(=O)(=O)C1 1723419055 APZIBUWQWDIRPT-HSZRJFAPSA-N 489.598 2.032 30 10 JEEE CC(C)n1nc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCNC(=O)C(C)(C)C)c2ccccc2c1=O 1723554657 CGVSUSBRVQKJPA-KRWDZBQOSA-N 492.584 2.127 30 10 JEEE C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1)N(C)C 1723821651 CEAYLXWAMVRYRA-NRFANRHFSA-N 478.645 2.291 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1CC1CCCC1 1723951396 BVYATXISWXOJSG-KRWDZBQOSA-N 457.604 2.277 30 10 JEEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCc1cccc(OC)c1 1729068631 AIWUQLBCUIKCTO-SFHVURJKSA-N 462.558 2.443 30 10 JEEE COc1cc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCN2CCOC[C@H]2C)cc(OC)c1OC 1729969573 ATKLCJSSVMSMEE-MWTRTKDXSA-N 474.537 2.134 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H](c1cccs1)N(C)C)[C@H]1CCS(=O)(=O)C1 1740621922 QFUKOMUHGQFCAA-WMZOPIPTSA-N 458.613 2.264 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CCCc1nc(C)no1)[C@H]1CCS(=O)(=O)C1 1740623997 BUEWBXAVGVFJRT-INIZCTEOSA-N 490.536 2.098 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1740647130 OMEJHNDVHVZJCH-NFBKMPQASA-N 497.562 2.435 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccccc1OC)N1CCCC1 1740657577 SZRPKJSXLWYTED-FYYLOGMGSA-N 495.649 2.489 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H]2CN(CC(C)C)CCO2)CC1 1740690502 WCKZGXOZODVSAA-DEOSSOPVSA-N 493.656 2.259 30 10 JEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2cccc(Br)n2)CC1 1740698435 FQNQOCUKGDZTCW-UHFFFAOYSA-N 469.391 2.101 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@H]2CSCCS2)CC1 1740706990 KWWZGJGFQHKGSW-IBGZPJMESA-N 456.641 2.078 30 10 JEEE C=C(C)CN(CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@H]1CCS(=O)(=O)C1 1740775767 FHLBLVOXSWFVHK-JOCHJYFZSA-N 486.686 2.480 30 10 JEEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)OCC)CC1 1740782753 NXDGNPPYAYIYEG-KRWDZBQOSA-N 464.567 2.441 30 10 JEEE C=C(C)COCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(C)C(=O)[C@@H]1C 1740787305 AKJSQYZLNKZKTL-INIZCTEOSA-N 459.547 2.231 30 10 JEEE C=CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1Cc1ccc(C(N)=O)nc1 1740938687 KMPZPXVNWUBDPV-UHFFFAOYSA-N 474.363 2.227 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1740952981 SFDQFVVPHPUHQO-IVZQSRNASA-N 460.966 2.336 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2Cc2snnc2C)C1 1740976067 ZRMZKXGYAGGGQC-QGZVFWFLSA-N 489.627 2.185 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Br)nnc1N1C[C@H](OC)[C@H](OC)C1 1740989611 SHQPRQJNEATFFM-CALCHBBNSA-N 485.404 2.158 30 10 JEEE Cc1nn(C)c(C)c1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1742658256 CTTOROFESJBKBV-FUHWJXTLSA-N 485.614 2.385 30 10 JEEE CCC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CCO1 1745355368 AGICCRCXRXQZAN-FPOVZHCZSA-N 488.614 2.016 30 10 JEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C1CCN(Cc2ccccc2)CC1 1748732310 YDMSSZVWHHGNCK-LJQANCHMSA-N 458.632 2.403 30 10 JEEE C#CCN(c1nnc(C(C)C)n1C[C@@H](CC(C)C)NC(=O)OCC)[C@H]1CCS(=O)(=O)C1 1748801695 DPSJGXCRLCFHJL-MSOLQXFVSA-N 453.609 2.189 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCCn1cccn1)[C@@H]1CCS(=O)(=O)C1 1748804383 HBFKLXAZLRIUPW-AZUAARDMSA-N 486.573 2.471 30 10 JEEE C#CCN(c1nnc([C@@H](C)CC)n1CCN1CCc2ccccc2C1)[C@@H]1CCS(=O)(=O)C1 1748804651 JPDNVLVQWXRZMG-SIKLNZKXSA-N 455.628 2.477 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCOCC)[C@@H]1CCS(=O)(=O)C1 1748824912 TVSMBFVXWJYQEH-GUDVDZBRSA-N 452.621 2.250 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CC(O)(CC)CC)CC1 1748979053 UGCIUBHNVPQVKX-UHFFFAOYSA-N 457.575 2.277 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@@H](C)NC(=O)OC(C)(C)C)CC1 1749016614 HFCBDPRDXAHWTF-GOSISDBHSA-N 481.601 2.143 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](CC(N)=O)C1 1749135063 CHDYQPHRNJZCBI-LZJOCLMNSA-N 472.615 2.343 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(O)CCOCC1 1749147367 GHAMQPNQFPLYDG-UHFFFAOYSA-N 463.604 2.139 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)Cc1csc(CC)n1 1749667318 XYEHBPGGEVLQIR-UHFFFAOYSA-N 478.582 2.150 30 10 JEEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Cl)cc2)n1CCN/C(O)=C1\N=CC=CC1=O 1760124477 SHLIVFWTQASAOD-IWKHNONTSA-N 454.918 2.495 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2C[C@@H]2CCOC[C@@H]2OC)c1 1760128169 AJUQOBWIPRJMMD-VWPQPMDRSA-N 467.570 2.280 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1760246490 YWKPWKGVTLRHIZ-FGZHOGPDSA-N 482.610 2.107 30 10 JEEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2CC2(COC)CCOCC2)CC1 1760261533 MZRXIDWIGUYGEO-UHFFFAOYSA-N 459.541 2.346 30 10 JEEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](OCCOC)C1 1760346438 ZRUBEDWBTINEMQ-ROUUACIJSA-N 451.568 2.404 30 10 JEEE C=C1CCN(c2nnc([C@H](C)OCCOC)n2Cc2ccccc2S(=O)(=O)N(C)C)CC1 1760383068 GOBALYYSDXQPCR-SFHVURJKSA-N 463.604 2.457 30 10 JEEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1760440621 NMDMVSATHLMCGC-HNNXBMFYSA-N 463.526 2.041 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1760519241 XANNOEBPMKRBSZ-GOSISDBHSA-N 486.374 2.112 30 10 JEEE CCn1cc(CN(C)c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCS(=O)(=O)C2)cn1 1765319207 ASDSCMDYQPBBHF-GOSISDBHSA-N 469.571 2.016 30 10 JEEE CN(C)[C@@]1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@@H](CC(N)=O)C2)CCSC1 1768490808 GCXPIBAOODGIHS-YADARESESA-N 483.642 2.258 30 10 JEEE COC(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCCS2(=O)=O)C1 1769397298 BGTWIBVLXIMQJX-AZUAARDMSA-N 487.582 2.085 30 10 JEEE C=CCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CC(=O)N(CCc2ccc(OC)c(OC)c2)C1 1861590874 WTOICURSVWBGRX-VXKWHMMOSA-N 479.577 2.125 30 10 JEEE COc1cc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2CCCNC=O)ccc1O 1862756853 SJAXICYSSYWFCB-IBGZPJMESA-N 455.423 2.023 30 10 JEEE CCN(CC)CCNC(=O)c1ccc(-n2nnc(C#N)c2NC(=O)c2cccc(OC(C)=O)c2)cc1 1870136883 OLHYIJIIMLRBMM-UHFFFAOYSA-N 489.536 2.388 30 10 JEEE C=CCn1c(C(=O)NCCCOC(C)C)cc2c(N3CCN(c4ncccn4)CC3)ncnc21 1873593664 UFVASDZRGNTAJH-UHFFFAOYSA-N 464.574 2.279 30 10 JEEE C=CCn1c(C(=O)NC[C@@H](c2ccc(O)cc2)N(C)C)cc2c(N3CCN(C(C)=O)CC3)ncnc21 1873595260 VRAAVDWGHZCPDH-QHCPKHFHSA-N 491.596 2.024 30 10 JEEE COc1ccc(/C=N/n2c(Cc3ccccc3[N+](=O)[O-])nnc2SCC(N)=O)cc1OC 1874295403 ZWBPEQLISQZRFU-SSDVNMTOSA-N 456.484 2.254 30 10 JEEE CN1CCN(CC#CCOC2CCN(C(=O)c3cc(Br)ccc3F)CC2)CC1 1890041840 AGERGWMSKBXIKI-UHFFFAOYSA-N 452.368 2.460 30 10 JEEE CCN1CCN(CC#CCOC2CCN(C(=O)c3cc4cccc(OC)c4oc3=O)CC2)CC1 1890958118 NHFNXDNXPYSLGF-UHFFFAOYSA-N 467.566 2.064 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CCN(S(=O)(=O)c2cccnc2C#N)CC1 1965811821 MWRYHCCTKDJLNK-UHFFFAOYSA-N 495.602 2.432 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1CO 2060127498 JAKLAIBXFHAZBS-IXDOHACOSA-N 454.568 2.308 30 10 JEEE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@H](CNS(=O)(=O)N2CCC[C@@H](C#N)C2)C1 2140608173 WUPOXDRRXHZRDG-LEWJYISDSA-N 477.631 2.178 30 10 JEEE CC(C)(C)OC(=O)Nc1[nH]nnc1C(=O)NCCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2180985111 ZWGWOXVJJJMVAN-UHFFFAOYSA-N 457.340 2.423 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccsc2B2OC(C)(C)C(C)(C)O2)[C@@H](CO)C1 2255641040 NWKPYLZEDDMANV-CQSZACIVSA-N 452.382 2.101 30 10 JEEE Cn1nc(C(=O)NC2(C)CN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2255649714 LWYPXZYCTNNIIK-UHFFFAOYSA-N 454.764 2.112 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2255832126 HZMCJOPEKOCNMM-DZGCQCFKSA-N 452.382 2.005 30 10 JEEE CC(C)(C)OC(=O)NCC[C@H](O)C(=O)Nc1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)n1 2256671459 SPIQSBXLPCHIEH-ZDUSSCGKSA-N 455.748 2.248 30 10 JEEE Cc1sc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2CO)cc1B1OC(C)(C)C(C)(C)O1 2267117508 SOMJWYHBJKDREE-OAHLLOKOSA-N 466.409 2.410 30 10 JEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@@]1(NC(=O)OC(C)(C)C)CCOC1 2267510428 LDAQFXUDFFCOMT-QFIPXVFZSA-N 450.341 2.301 30 10 JEEE Cc1c(B2OC(C)(C)C(C)(C)O2)csc1C(=O)N1C[C@H](O)C[C@H]1CNC(=O)OC(C)(C)C 2267584528 HTGPTCYHRHNLEK-LSDHHAIUSA-N 466.409 2.456 30 10 JEEE C[C@@H](CN(C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(O)cc1O)NC(=O)OC(C)(C)C 2267803736 LKADNADXUGRIKE-ZDUSSCGKSA-N 450.341 2.382 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CO)CNC(=O)c1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1Cl 2267815551 IHPGPVMYCJNVTL-LBPRGKRZSA-N 472.750 2.394 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(C(=O)Nc3ncc(B4OC(C)(C)C(C)(C)O4)s3)CO[C@H]1C2 2268719561 GSHLVIXEUGVJLC-BHVCSQLQSA-N 465.381 2.453 30 10 JEEE CN(C(=O)OC(C)(C)C)[C@@H]1CN(C(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)CC12CC2 2281974542 XPIZBSPJNZJAPN-MRXNPFEDSA-N 460.384 2.191 30 10 JEEE Cc1cc(C(=O)N[C@H]2[C@H]3OCC[C@@H]3[C@H]2NC(=O)OC(C)(C)C)oc1B1OC(C)(C)C(C)(C)O1 2281976128 XIWMVNDUGIZSBR-DZUCGIPZSA-N 462.352 2.298 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1COC[C@@H]1NC(=O)c1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1F 2282088407 MABQUJYWZSRQKH-IRXDYDNUSA-N 468.306 2.286 30 10 JEEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCCCC[C@H](NC(=O)OC(C)(C)C)C1 2282101314 BZAOKEJSGPBRLO-HNNXBMFYSA-N 463.388 2.024 30 10 JEEE CC(C)(C)OC(=O)NCCCN1CCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)CC1 2282204649 KXSPPWMVABTBMW-UHFFFAOYSA-N 463.384 2.251 30 10 JEEE CC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282344593 CLWHFWVFCFXKJS-QGZVFWFLSA-N 481.424 2.401 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N(Cc2ccccc2)CC2CCOCC2)n1 2282495331 LAMIAXVUCDDXAC-UHFFFAOYSA-N 475.420 2.337 30 10 JEEE CC(C)(C)OC(=O)N1CCC(O)(CNC(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)CC1 2282651821 GMBHICKPQILYBB-UHFFFAOYSA-N 460.380 2.478 30 10 JEEE Cc1cc(S(=O)(=O)N2C[C@@H](C)C[C@H](NC(=O)C(F)(F)F)C2)sc1B1OC(C)(C)C(C)(C)O1 2282834292 RSAQMLHYCOKXEG-AAEUAGOBSA-N 496.382 2.433 30 10 JEEE COC[C@]1(C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)CCN(C(=O)OC(C)(C)C)C1 2283957188 WMICWDHQLZJBMU-QFIPXVFZSA-N 481.424 2.332 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](O)C[C@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2283974862 WEGBGYHNTNDSJI-ZBFHGGJFSA-N 465.331 2.219 30 10 JEEE C[C@@H]1O[C@]2(C(=O)NCc3cnc(B4OC(C)(C)C(C)(C)O4)s3)C[C@@]1(NC(=O)OC(C)(C)C)C2 2284123862 FBTKNTYSNBNMGQ-LACYOAMESA-N 479.408 2.273 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CCC(NC(=O)C(F)(F)F)CC1 2286112082 AFHMSXYXVGNMRD-UHFFFAOYSA-N 456.270 2.278 30 10 JEEE COC(=O)c1[nH]c(C)c(C(O)=C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2cccc(OC)c2)c1C 2296079339 JGFZGUNFQQFTPL-FQEVSTJZSA-N 455.511 2.410 30 10 JEEE COc1cc(C(=O)NC[C@@H](CNC(=O)OC(C)(C)C)OC)ccc1B1OC(C)(C)C(C)(C)O1 2365423176 CVDGYVGOUOTGQW-INIZCTEOSA-N 464.368 2.264 30 10 JEEE CCCCCCCCO[C@@H]1O[C@H]([C@@H](COC(C)=O)OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 97975642 YQYGIWWSRQRBBQ-ZGJYDULXSA-N 460.520 2.447 30 10 JEEE CCOc1cc([C@@H]2/C(=C(/O)c3cccc([N+](=O)[O-])c3)C(=O)C(=O)N2CCOCCO)ccc1O 103122043 YVRZAGBVNCZWMH-GOBJLOIFSA-N 472.450 2.130 30 10 JEEE COc1ccc([C@@H]2/C(=C(/O)c3ccco3)C(=O)C(=O)N2CCCN2CCOCC2)c(OC)c1 103224800 QMLZKLIPWOWJRR-SADKCHQCSA-N 456.495 2.441 30 10 JEEE N#CCC(=O)Nc1cccc(CNC(=O)CN2C(=O)c3ccc(Br)cc3C2=O)c1 219741085 UUCZTRGXXXIJDN-UHFFFAOYSA-N 455.268 2.214 30 10 JEEE C[C@@]12C=CC(=O)C=C1CC[C@H]1[C@H]2C(=O)C[C@@]2(C)[C@@H]1CC[C@@]2(O)C(=O)COC(=O)CCC(=O)O 256501502 IMWBZDUOZWSUQI-CEBYHONUSA-N 458.507 2.182 30 10 JEEE Nn1c(NN=Cc2cccc(Br)c2)nnc1SCC(=O)Nc1nccs1 1084480574 MDGYUASNTJWIOW-UHFFFAOYSA-N 453.351 2.388 30 10 JEEE CC(C)(C)OC(=O)N(CC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N)C[C@@H]1CCCO1 1265833381 DCJPEHMAUCWNED-IRXDYDNUSA-N 452.552 2.374 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCN1CCOC[C@@H]1C 1286290592 TXEOAAAGWNAJBF-OALUTQOASA-N 463.586 2.244 30 10 JEEE C#CCN(c1nnc(COCC)n1CCc1cc(C(F)(F)F)ccn1)[C@@H]1CCS(=O)(=O)C1 1286397185 RTYYZMJCRUWVJV-QGZVFWFLSA-N 471.505 2.098 30 10 JEEE C#CCN1CCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@@]2(C)CN(C)C2=O)CC1 1286483887 CHLQVZFVFUJKDP-JOCHJYFZSA-N 459.019 2.457 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@@](C)(O)c2ccsc2)CC1 1286490631 ZHVIFLCSFDWWQO-HSZRJFAPSA-N 450.568 2.275 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H]2CCC[C@H]2OC)CC1 1286493187 FHHNBANJCAAVQD-AZUAARDMSA-N 456.616 2.415 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCO[C@H](COC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1286565196 YQKOPHBPEABGFW-QTDGGUCWSA-N 450.580 2.152 30 10 JEEE C=C(C)COCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1286601544 MCOADGDFZWEJFI-HXUWFJFHSA-N 467.574 2.296 30 10 JEEE C=C(Cl)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CCN(CC(=O)NCCOC)CC1 1286621545 FPONQSYQCLAOPM-UHFFFAOYSA-N 484.004 2.439 30 10 JEEE C=C(Cl)Cn1c(-c2ccc[nH]2)nnc1N1C[C@@H]2[C@H](C1)[C@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1286624995 GGOOBVDGDYQBJN-FVQBIDKESA-N 482.994 2.152 30 10 JEEE C=CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)COC)CC1)c1ccccc1 1286678351 VMCKJYSPNJIVQP-HXUWFJFHSA-N 454.575 2.071 30 10 JEEE C=CCCCn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1286704353 RDIHNTMKTIBYCH-UHFFFAOYSA-N 470.549 2.233 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNC(=O)C(C)(C)C 1286765325 BZRFLMJDYSZBQK-KRWDZBQOSA-N 463.604 2.171 30 10 JEEE C=CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@]1(O)CCS(=O)(=O)C1 1286766072 MHFALTDKEPTPRJ-KSFYIVLOSA-N 480.656 2.320 30 10 JEEE C=CCOc1ccc(Cn2c(-c3cccnc3)nnc2N2CCC(NS(C)(=O)=O)CC2)cc1 1286795021 VGGXMPIQROCQLL-UHFFFAOYSA-N 468.583 2.471 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCc1nc2c(s1)CCCC2 1286959809 HZVHRLHULWRTGY-HUUCEWRRSA-N 465.649 2.452 30 10 JEEE CCCOc1ccc(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCO[C@H](C#N)C2)cn1 1294952502 HHQTVRQCPHJOSK-LJQANCHMSA-N 482.566 2.309 30 10 JEEE CCN(C)C(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1295073743 GUNNECFIWCMYIA-HXUWFJFHSA-N 455.538 2.335 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)COC)[C@H]1CCS(=O)(=O)C1 1300504346 MKTNGFVWAUHYMH-QYZOEREBSA-N 495.646 2.259 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN1CC 1300650818 XUQNOJRRRDZPFI-PZJWPPBQSA-N 459.591 2.443 30 10 JEEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc(C)nc1 1300663601 FQXSAQLHVLOVNY-UHFFFAOYSA-N 453.572 2.076 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ncccc1C 1300672373 ZTFMPGYYTQOIMP-HXUWFJFHSA-N 470.574 2.424 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccnc1OCC(F)(F)F 1300780507 RRBQYMHXKZYTJM-IFXJQAMLSA-N 486.520 2.265 30 10 JEEE CO[C@@H]1COCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1300855409 FPBAIQIBSVFDRK-PCCBWWKXSA-N 473.599 2.272 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1300892854 VWOJLZOBDIXQFR-RSEQLOHWSA-N 483.613 2.394 30 10 JEEE C=C(C)COCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCCO[C@H](C)C1 1300974857 NZXOEEFRCIGQRF-GOSISDBHSA-N 463.604 2.403 30 10 JEEE C=C(Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](CNC(C)=O)C1)c1ccccc1 1301010190 IRDWRAKHMRKXNC-FKBYEOEOSA-N 455.559 2.057 30 10 JEEE C=C(Cl)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1301016681 BHBJVRDZWFDLQP-GOSISDBHSA-N 492.983 2.291 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2scnc2C)CC1 1301126478 VGEIGEDLMXAUCM-QGZVFWFLSA-N 466.633 2.021 30 10 JEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1301197265 QVPYJGIDFSPTLZ-PMPSAXMXSA-N 456.613 2.204 30 10 JEEE C=CCN(CCc1ccco1)c1nnc(CN2CCCC2=O)n1CC1CCS(=O)(=O)CC1 1301412597 FGQLWSHPNHDQBO-UHFFFAOYSA-N 461.588 2.053 30 10 JEEE C=CCOc1ccc(Cn2c(-c3ccc[nH]3)nnc2N2CC[C@@H](S(=O)(=O)NCC)C2)cc1 1301518972 NWVVRHJNAKSXGW-LJQANCHMSA-N 456.572 2.404 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCC(n2cc(Cl)cn2)CC1 1301592664 BIGZVAHTWAGIQH-UHFFFAOYSA-N 493.037 2.432 30 10 JEEE COCCN(CCC#N)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@]1(O)CCO[C@H]1C 1301806302 BTAGBUDVYUFYHP-MBSDFSHPSA-N 451.531 2.037 30 10 JEEE C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)N2CCCCC2)CC1)N(C)C 1303697992 CAACUNSAHUUFPO-LJQANCHMSA-N 450.591 2.495 30 10 JEEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCOc2cccc(C(F)(F)F)n2)C1 1316531238 HZYIOJNNUUGAHH-FZKQIMNGSA-N 488.467 2.115 30 10 JEEE C#CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)OC[C@H]2C1 1358913492 OXEFCHIMWLKXIR-MSOLQXFVSA-N 474.562 2.031 30 10 JEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCOCC(F)(F)C(F)F 1358946033 FLTPLXQEPAIKFE-UHFFFAOYSA-N 462.473 2.225 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H](C)N(C)C1CC1)[C@@H]1CCS(=O)(=O)C1 1358954896 AFTDAQFGEGETMG-SIKLNZKXSA-N 498.653 2.257 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CCc1c(C)cccc1C)[C@@H]1CCS(=O)(=O)C1 1358956242 CGOUCDZCTNIGFF-BWKNWUBXSA-N 486.638 2.416 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1358956536 HFVUXVASFLCOAN-YDHSSHFGSA-N 464.632 2.383 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCCO2)n1CC(=O)N1CCN(c2ccccc2)CC1 1358993752 WCIQZRSNUNWFRL-QHCPKHFHSA-N 460.582 2.331 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2CC(F)(F)Br)CC1 1359040345 QIYPDQZGGLCEQQ-UHFFFAOYSA-N 489.365 2.150 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(CC)CC)n1C[C@@H](C)CN1CCN(CC)CC1 1359063573 XTYSNFYHRMYYHQ-NBGIEHNGSA-N 457.667 2.462 30 10 JEEE C=C(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(c2cnn(C)c2)CC1 1359117219 NKSGXQJHVDITHC-UHFFFAOYSA-N 454.966 2.498 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N(CCO)Cc1cc(Br)ccc1F 1359297601 VVYNSXRZYMEZTE-UHFFFAOYSA-N 491.365 2.486 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N(C)C[C@H](c1cccs1)N1CCOCC1 1359300326 ZGFCIZGIRQYAEY-MOPGFXCFSA-N 474.631 2.393 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN([C@@H](C)c2cccc(OC)c2)CC1 1359302808 UZXOUPBASTYFTN-FQEVSTJZSA-N 475.597 2.458 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1359304918 NSGXYUBRWFYUNG-GOSISDBHSA-N 468.537 2.348 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1359328843 PNGACZYPSDGIBI-JTSKRJEESA-N 491.570 2.228 30 10 JEEE C[C@H](C#N)CN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@]1(O)CCS(=O)(=O)C1 1359469555 HCYCIYJDJPMHDS-XIKOKIGWSA-N 458.371 2.397 30 10 JEEE CN(C)C(=O)COc1ccc(C(F)(F)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)cc1 1361283166 CDVZQLRZHOALRX-UHFFFAOYSA-N 454.437 2.396 30 10 JEEE N#Cc1ccc(N2CCN(CC(=O)NC(=O)Nc3ccc4c(c3)OCCO4)CC2)c(Cl)c1 1473429431 DQWHNFXZBBSVBM-UHFFFAOYSA-N 455.902 2.453 30 10 JEEE C#CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1507564850 YBTMVQXGOOQGJS-LJQANCHMSA-N 455.563 2.033 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H]1CCC[C@@H](O)C1)[C@@H]1CCS(=O)(=O)C1 1507623765 WYYGCUJFIVBGNZ-CEMLEFRQSA-N 499.637 2.325 30 10 JEEE C#CCN(c1nnc([C@@H]2COc3ccccc3O2)n1CCOC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1507633186 DFUGHTUYTSUIRU-XLIONFOSSA-N 474.583 2.232 30 10 JEEE C#CCN(c1nnc(COCC)n1CCCn1c(C)nc2ccccc21)[C@@H]1CCS(=O)(=O)C1 1507636561 AJXNCCXCQUBXAX-LJQANCHMSA-N 470.599 2.190 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1CC1(N2CCOCC2)CCCCC1 1507659215 NOSIXDOKNKTHHF-VXKWHMMOSA-N 455.603 2.110 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2CC2(S(C)(=O)=O)CCCC2)CC1 1507721047 LBVWXWPAGZWSOI-UHFFFAOYSA-N 457.600 2.066 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H]2COc3ccccc32)CC1 1507733978 PLXHSCBXSWCOCZ-LJQANCHMSA-N 478.597 2.339 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(OC)cc2F)CC1 1507739099 MSDVEJLIXKDOEC-LJQANCHMSA-N 455.534 2.334 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1507786767 ZDBSAIZBPITDTJ-GOSISDBHSA-N 483.455 2.461 30 10 JEEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1ccc(O)cc1 1507844350 INOVDACKLIYELL-NHCUHLMSSA-N 491.614 2.251 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](C(C)C)C1 1508090828 KDYOQKHDDPYVRI-MSOLQXFVSA-N 462.595 2.371 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](c2ccccc2Br)C1 1508090914 KMILNBUNHJVIQT-CRAIPNDOSA-N 476.375 2.425 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1508103341 BOWJGUFEBGHMFL-RBUKOAKNSA-N 452.559 2.086 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](c2cccc(F)c2)C1 1508144378 DDYZGIHMIVPAPE-PKOBYXMFSA-N 450.536 2.100 30 10 JEEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCOC2CCOCC2)[C@@H](C)C1 1508237921 ULPQJUKNDNYLRL-SFHVURJKSA-N 452.559 2.459 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2C[C@@H]2CCCN2CCCO)c1 1539043431 QNDSKOYOLYGVAV-GMAHTHKFSA-N 480.613 2.075 30 10 JEEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1539133831 MHNUDDFRMBSROK-RUZDIDTESA-N 491.640 2.373 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCN(C)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 1539221547 PSMQISOOYRFKMO-LEWJYISDSA-N 463.648 2.411 30 10 JEEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CC(=O)N(c2ccccc2)C1 1539237255 BPODGQLBMHZSRZ-LVXARBLLSA-N 461.566 2.445 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccccc3Br)n2C[C@]2(OC)CCOC2)CC1 1539441525 RZSYVVLFZGHJES-OAQYLSRUSA-N 460.376 2.268 30 10 JEEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H](CN2CCOCC2)C1 1539499058 CFTUBCXHMCGMID-GOSISDBHSA-N 456.572 2.378 30 10 JEEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1539510453 IXFVPZXVPIBIOM-UHFFFAOYSA-N 455.632 2.005 30 10 JEEE C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1539686149 IUYMBQTUHDQTBA-UHFFFAOYSA-N 485.390 2.443 30 10 JEEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1539828628 MWHRLJTWROPPFC-HRAATJIYSA-N 450.536 2.263 30 10 JEEE C=C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC2(O)CCS(=O)(=O)CC2)CC1 1539839946 HLMKSWGUGLZJAU-UHFFFAOYSA-N 462.572 2.058 30 10 JEEE C=CCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1540855129 BZCXJMMANPVUCU-MRXNPFEDSA-N 456.616 2.491 30 10 JEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2cccc(Cl)c2)C1 1540858153 JLUPYSJORZUKGL-QZTJIDSGSA-N 467.979 2.028 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N(CC)Cc1nc(O)c2sccc2n1 1540870047 DIKJIKJMTGBWRM-CQSZACIVSA-N 457.560 2.211 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCO[C@@H](c2nnc(C(C)C)o2)C1 1540872566 SRXFGAHFPALROF-LJQANCHMSA-N 481.557 2.264 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@H]1c1nncn1C 1540875064 ANCKJOMQVCVPJY-KRWDZBQOSA-N 456.938 2.283 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@]2(O)CCO[C@@H]2C)C1 1540883528 AYTPMCPFWZALTJ-MUKKUYKPSA-N 452.353 2.357 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1540902844 SAXAYMUUYOLFHR-HOIFWPIMSA-N 481.619 2.224 30 10 JEEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1(C(N)=O)CCOCC1 1541805942 ASBQTZDQZDKBRX-SJORKVTESA-N 475.594 2.371 30 10 JEEE CNC(=O)[C@H]1CN(C(=O)c2ncccn2)CC12CCN(c1ccc(C#N)c(C(F)(F)F)c1)CC2 1548375636 SCGDRTAXDXCKSQ-GOSISDBHSA-N 472.471 2.472 30 10 JEEE CC(=O)NCC(=O)N1CC2(CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)C[C@@H]1C(=O)NC1CC1 1548379842 JIKNSJLAZKZAJV-HXUWFJFHSA-N 491.514 2.179 30 10 JEEE COCCN1C[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(CC(C)C)C(=O)[C@H]2C)CC1=O 1555574722 HZMPEKILLWFMFE-TZIWHRDSSA-N 493.612 2.005 30 10 JEEE C=C(C)[C@@H](NC(=O)c1cc(S(=O)(=O)NCC(N)=O)ccc1Cl)c1ccc(F)c(F)c1 1556261545 NHQTUBNNJTXIFR-GOSISDBHSA-N 457.886 2.429 30 10 JEEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2OCC)cc1 1587037384 GDDQHWJJRRGHDS-UHFFFAOYSA-N 456.568 2.001 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(F)(F)C1(OC)CCOCC1 1587600501 ZDZFTYHZNOPOEF-MRXNPFEDSA-N 472.500 2.210 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCCCN2CC)c1 1587683207 DWUCMJAZGBSZTB-JOCHJYFZSA-N 477.613 2.445 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H](N1CCOCC1)C(F)(F)F 1588112937 CVTVGTSJZJFGAY-FQEVSTJZSA-N 477.487 2.298 30 10 JEEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC1(S(C)(=O)=O)CCC1 1588133255 BWFAERXTNUADFX-UHFFFAOYSA-N 489.642 2.433 30 10 JEEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1C[C@H](F)CN1Cc1cccs1 1588266154 MFTFESDFBPXCSR-ULQDDVLXSA-N 468.624 2.022 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCN2CCCC(C)(C)C2)CC1 1588750354 CPHMWDJDOICJKV-VWLOTQADSA-N 458.651 2.196 30 10 JEEE C#CCSCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCO[C@H](C#N)C1 1589059631 HEKXFHKNSIFQPQ-QZTJIDSGSA-N 460.604 2.488 30 10 JEEE C=C(C)COCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1593735794 RNTXZACLHUNDDY-HZPDHXFCSA-N 474.587 2.444 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)C(=O)NCC 1595101158 YWUWHKKOHYYOIH-FQEVSTJZSA-N 484.626 2.407 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CCO[C@@]2(CCOC2)C1 1595496851 ITUNGHDZGITBHB-NRFANRHFSA-N 492.374 2.014 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCn2cncn2)C1 1595720556 ACHRIHHSHSTHQQ-OALUTQOASA-N 472.594 2.466 30 10 JEEE CC(C)(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1)c1ccccc1F 1597772601 FNRMTLDYVMNQAR-PGRDOPGGSA-N 494.568 2.170 30 10 JEEE Cc1n[nH]cc1CCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1611849885 GEAFBXRPOFBYIB-UHFFFAOYSA-N 475.601 2.128 30 10 JEEE C=CCNS(=O)(=O)c1cccc(C(=O)NCc2cccc(CN3C(=O)CSC3=O)c2)c1 1623335319 UNAFJNMXJIYLBF-UHFFFAOYSA-N 459.549 2.276 30 10 JEEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C(F)(F)F)c1 1627767392 DWEIZCCMZNFLKG-AWEZNQCLSA-N 451.467 2.336 30 10 JEEE C#CCOc1ccccc1CNC(=O)CCc1nc2cc(S(N)(=O)=O)ccc2n1CCC 1641284050 SCLLXCVDIUJHQY-UHFFFAOYSA-N 454.552 2.355 30 10 JEEE Cc1ccc(N(CCC#N)C(=O)CN2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)cc1C 1641497451 CFBAWMLZDKMMMW-UHFFFAOYSA-N 455.584 2.020 30 10 JEEE CS(=O)(=O)Cc1ccc(Cl)cc1S(=O)(=O)N1CCN(c2ccccc2C#N)CC1 1661245718 DTDWIIVUFMCMNA-UHFFFAOYSA-N 453.973 2.267 30 10 JEEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](CC(C)C)c2ccccc2OCCC)CC1 1680155909 ZARUHPFVGXVNHZ-HXUWFJFHSA-N 450.605 2.357 30 10 JEEE C=CCC[C@H](NC(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)CC1)c1ccccc1 1680580880 NCFSNQCODIJGSE-ZVDOUQERSA-N 450.605 2.375 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCCn2ccnc21 1689835733 ROVPEYHWSKFIQB-MJGOQNOKSA-N 467.599 2.427 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2CC[C@@H]2CCCCO2)c1 1689873859 ZQTWJLAUHBRROU-NRFANRHFSA-N 464.570 2.416 30 10 JEEE C#CCCCn1c(N2CCN(c3nccnc3C#N)C[C@@H]2C)nnc1[C@]1(OC(C)C)CCOC1 1689941138 KSGCHYLQFGSOMT-CYFREDJKSA-N 464.574 2.109 30 10 JEEE C#CCN(C)c1nnc(-c2cccc(Br)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1689948893 JWLPIPNPUFOCEH-HTXNQAPBSA-N 455.316 2.303 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@]1(C)CN(C2CC2)C1=O 1690004840 IBOFCQQNQQZVPL-VWLOTQADSA-N 463.538 2.055 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc3ccccc3o2)n1CCNS(=O)(=O)Cc1ccon1 1690036806 BUTSQOFGNCDNDC-UHFFFAOYSA-N 478.534 2.262 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCOC2)n1C[C@@H]1C[C@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1690046750 GOANWDFXEISWQW-ANULTFPQSA-N 469.586 2.269 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC1(C)COC1 1690101396 ZFNMWMYAZAUVMH-UHFFFAOYSA-N 450.543 2.358 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CC(=O)NC(C)C)CC1 1690115794 UJPFCZOZDMEZQR-UHFFFAOYSA-N 459.392 2.296 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H](C)c2nccs2)CC1 1690137877 KTAPMPDQSZYKHE-GAJHUEQPSA-N 472.615 2.156 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](C(CC)CC)N(C)C)CC1 1690142511 PFMGWUQIBFGORO-OAQYLSRUSA-N 454.623 2.011 30 10 JEEE C=C(C)Cn1c(N2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1690297817 HNHQFUFSYHDMAB-SQJMNOBHSA-N 474.650 2.418 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cscn1 1690432716 JUUNRTZQGLUWHO-INIZCTEOSA-N 454.622 2.306 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccnc(OC2CCOCC2)c1 1690597329 QQUBGWLVTXEJOY-IBGZPJMESA-N 473.599 2.360 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1690668975 PCABNAFHZWOLRW-QAPCUYQASA-N 455.563 2.300 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](C)CNC(=O)OC(C)(C)C)C1 1690709332 FRQODIGEYMUHNH-ZWKOTPCHSA-N 462.595 2.343 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 1690715328 IZLFTMMVBCJRKK-UHFFFAOYSA-N 451.637 2.477 30 10 JEEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)c1cccc(F)c1 1692660485 AQRPXHCYMONHNR-APWZRJJASA-N 478.594 2.466 30 10 JEEE CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1695496841 HIRCOXVWEFSMSR-UHFFFAOYSA-N 453.547 2.352 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OCC)CCOC3)n2C[C@](C)(O)c2ccco2)c1 1705504392 VBPCVNKFPVXPTO-UIOOFZCWSA-N 493.564 2.487 30 10 JEEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@H](C)c1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1705568331 LGYXDZASEJXSTJ-PZJWPPBQSA-N 469.611 2.139 30 10 JEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1C[C@@H]1CCSC1)[C@H]1CCS(=O)(=O)C1 1705569223 DZUXXDHIVJIFFS-PMACEKPBSA-N 474.652 2.452 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cccnc2OCCCC)CC1 1705632497 RWNHXUGQEPGTMD-UHFFFAOYSA-N 474.569 2.303 30 10 JEEE C=C(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1705722511 QCUCGQGQSDYOKT-IBGZPJMESA-N 476.559 2.060 30 10 JEEE C=CCn1c(COc2ccc(OC)cc2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1705892704 BEIGKNPCXJUEDK-QGZVFWFLSA-N 451.531 2.449 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1705906162 VLNCGGHIWCEXIV-UHFFFAOYSA-N 463.629 2.170 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC(CN3CCCCCC3)CC2)nnc1[C@@]1(OCC)CCOC1 1705908500 QPSKODWHBVFQEL-RUZDIDTESA-N 474.650 2.325 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCC(=O)N(C)C)C1 1705916836 RMWAOUPOUOIBJS-SFHVURJKSA-N 460.966 2.121 30 10 JEEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCOC2CCOCC2)[C@H](C)C1 1705997214 HBYDPZMVMNSATE-LJQANCHMSA-N 482.585 2.371 30 10 JEEE CCCn1nc(-c2nnc(N(C)[C@@H](C)CC#N)n2CC(=O)NC(C)C)c2ccccc2c1=O 1709803390 HBYQKNXYHGIJRE-INIZCTEOSA-N 450.547 2.328 30 10 JEEE CCNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1710308389 DRMYJPROARHQSL-OAQYLSRUSA-N 465.602 2.280 30 10 JEEE C#CCCCn1c(N2CCN3C(=O)N(CC(C)C)C[C@@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1722340529 BGSYLAOGWXVYDN-RDPSFJRHSA-N 458.607 2.314 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCN(CC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1722359642 PECMQPFGOKOBJB-HXUWFJFHSA-N 459.616 2.311 30 10 JEEE C#CCN(c1nnc(C)n1CCc1ccc(OC)c(OC(F)F)c1)[C@H]1CCS(=O)(=O)C1 1722365782 PJMCJRBKHWOOOU-INIZCTEOSA-N 454.499 2.066 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CCCc1c[nH]nc1C)[C@H]1CCS(=O)(=O)C1 1722371598 XENFPFYTAKDJFD-FQEVSTJZSA-N 486.573 2.287 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCc1ccn(-c2ccc(F)cc2)n1 1722418763 BRCRLVJOOXFLQV-UHFFFAOYSA-N 465.533 2.168 30 10 JEEE C#CCSCCn1c(-c2ccc(Br)s2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1722453692 CDYBBKPYJDNJKA-CHWSQXEVSA-N 485.429 2.496 30 10 JEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(Cc2ccccc2C)CC1 1722462780 SBQASDQHGXETBS-UHFFFAOYSA-N 452.628 2.398 30 10 JEEE C=C(Br)Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1722477677 JLUUBPBMTANPOY-IRXDYDNUSA-N 490.406 2.381 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](O)CC2(CCCC2)C1 1722491482 LOOBCRJCEJYLPX-MANSERQUSA-N 467.636 2.001 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1722496214 WCXLJKWZDGHLLI-RTWAWAEBSA-N 470.599 2.270 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cccc(Cl)c2)CC1 1722566764 YRUKYAHHYVUCJC-GOSISDBHSA-N 451.980 2.469 30 10 JEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1722686146 RRRACPSVFGHULC-OALUTQOASA-N 473.578 2.183 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1722690380 JAVKEIUYIWTHRS-IPJJNNNSSA-N 486.592 2.406 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](Nc2ccccc2)C1 1722702122 DRMOOCGWPNXJQJ-DWLFOUALSA-N 454.575 2.385 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccc(S(C)(=O)=O)cc2)C1 1722710352 HIZIIWYTEBYQQD-XXBNENTESA-N 476.599 2.163 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC2(C(=O)N(C)C)CCCC2)C1 1722711152 SEPGARDIOUPGTC-DVECYGJZSA-N 461.607 2.360 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1ccc(C#N)cc1 1722726242 ZSXFTKYFRBXHDY-UHFFFAOYSA-N 465.539 2.034 30 10 JEEE C[C@H](c1nccs1)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(C)(=O)=O)CC1 1723768725 GEMYPKROMKSZKY-MRXNPFEDSA-N 471.612 2.201 30 10 JEEE CCN(C[C@H]1CCCO1)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1728470747 GLIATEVNUSUEPB-WOJBJXKFSA-N 458.588 2.246 30 10 JEEE CCOCc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CCN1CCOCC1(C)C 1729074107 AZISBHDSLVWRIS-UHFFFAOYSA-N 467.618 2.119 30 10 JEEE COCCN(CCC#N)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H]1CCCN(C(C)=O)C1 1730762543 GHQSQIIONBKIAR-GOSISDBHSA-N 478.557 2.219 30 10 JEEE C#CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1740578751 FRXALEDMXDKMBA-LJQANCHMSA-N 475.557 2.093 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1740617019 KIBGHZIETDPUFE-LNLFQRSKSA-N 462.547 2.220 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1cccc(NC(=O)OC)c1)[C@@H]1CCS(=O)(=O)C1 1740620623 FRGXVTLHBIHEBX-HXUWFJFHSA-N 480.550 2.193 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1CCC(=O)N1CCCCCC1)[C@@H]1CCS(=O)(=O)C1 1740626224 KKDLIJRBOSLZBN-LJQANCHMSA-N 463.648 2.286 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](C1CC1)N(C)C 1740686648 VMTBBJIAFHWVOQ-WOJBJXKFSA-N 476.622 2.013 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@H]2CCOC2)CC1 1740694808 UTTVTOSJILJNNZ-VQTJNVASSA-N 458.607 2.184 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(OC)cc3)n2Cc2cc(C)no2)CC1 1740707761 OREQXUXRAWTSKT-UHFFFAOYSA-N 464.526 2.176 30 10 JEEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)c2ccccc2)CC1 1740722389 DWZZEWVZBIOHRO-SFTDATJTSA-N 469.611 2.331 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1CCC(OC)CC1 1740731027 NOVULDLMQRULCO-FDDCHVKYSA-N 463.648 2.062 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2F)n1C[C@@H]1CC(=O)N(CCOC)C1 1740734923 QRRMRECJRKZBSP-HOYKHHGWSA-N 455.534 2.483 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2cscn2)CC1 1740750687 SVIAEILEVKIFOF-PKOBYXMFSA-N 459.620 2.176 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1740761287 MTELFYQUNWDXBU-XJUOHMSHSA-N 474.650 2.491 30 10 JEEE C=C(Cl)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(C(=O)NCCCOC)CC1 1740805646 SZQLDZHVHPIMQD-UHFFFAOYSA-N 496.033 2.470 30 10 JEEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCCC[C@H](COC)C1 1740959889 GTLQOQUFLNOCPZ-IBGZPJMESA-N 468.606 2.007 30 10 JEEE CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1747413749 GOVVUAAUTNLRMV-UHFFFAOYSA-N 467.599 2.292 30 10 JEEE C#CCCCCn1c(N2CCC[C@@H](n3ccc(C(=O)NC)n3)C2)nnc1[C@@]1(OCC)CCOC1 1748730665 POVHTOWMWJNRTP-NTKDMRAZSA-N 469.590 2.131 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](C)Cc2cccs2)CC1 1749015898 RFLJUMXDAXARDA-SFHVURJKSA-N 468.627 2.307 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCC[C@@H](COC)C1 1749119114 NQWCHPHLVAFJRN-MANSERQUSA-N 455.625 2.122 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc2c[nH]nc2c1 1749159789 YPNNYWIUTZOTRY-HXUWFJFHSA-N 473.603 2.132 30 10 JEEE C=C(C)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1749189984 YGKMJVLUFBLJON-ROUUACIJSA-N 482.651 2.439 30 10 JEEE C=C(C)COCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1749216853 UYCHUIWTAWLXRS-CTNGQTDRSA-N 488.658 2.461 30 10 JEEE C=CCC(C)(C)Cn1c(N2CCN3C(=O)N(CC)C(=O)[C@H]3C2)nnc1[C@]1(OCC)CCOC1 1749376906 IWIZBHBUUMNKOY-HXOBKFHXSA-N 460.579 2.005 30 10 JEEE C=CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1749411837 HAVRAGDBANLKOE-KRWDZBQOSA-N 451.980 2.451 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1nncn1CC 1749574880 HERJQMCCIWAXJG-KRWDZBQOSA-N 458.567 2.425 30 10 JEEE C=CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1749640377 SQHRNKCJYKJLSZ-NRFANRHFSA-N 475.615 2.291 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCCN(C(=O)c2ccccc2)CC1 1749731490 FNHXJCUUVNLTID-OAQYLSRUSA-N 487.626 2.125 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@]1(N2CCOCC2)CCSC1 1750078378 FYQUQZXNFSNZMV-HTAPYJJXSA-N 489.671 2.073 30 10 JEEE C#CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CC[C@H](C(F)F)N1CCOCC1 1760166130 RNXIVROCNAGVDJ-OAHLLOKOSA-N 457.323 2.461 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC1C[C@H](C)O[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1760189485 UUIVCIIFTQJYFF-RAUXBKROSA-N 450.605 2.002 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1Cc1cccc(C(F)(F)F)n1)[C@@H]1CCS(=O)(=O)C1 1760190867 VMJALZRCXZXGCN-MRXNPFEDSA-N 453.490 2.319 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H](C(C)C)N2CCCC2)CC1 1760266347 WGVOGPLQZQSCHF-NVQXNPDNSA-N 486.661 2.016 30 10 JEEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(=O)c2ccccc2C)CC1 1760366070 PMFVTRLCXOUYDT-MRXNPFEDSA-N 481.022 2.348 30 10 JEEE C=CCCOCCn1c(CNC(=O)c2cccs2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1760452659 PZGAVYSZVDUSIC-SJORKVTESA-N 458.588 2.110 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc4cccnc34)n2CCNS(=O)(=O)CC)C1 1760540181 CONPQEVIGMQINI-GOSISDBHSA-N 456.572 2.214 30 10 JEEE CC(C)(C)OC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(C(N)=O)CCOCC2)CC1 1760779117 HCTJVGZXANKSPO-UHFFFAOYSA-N 495.584 2.156 30 10 JEEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C 1762610742 DUHTUKCLTAITNO-SJORKVTESA-N 469.594 2.466 30 10 JEEE CC[C@H](C)N(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1763894128 APMZMZVDHHZIQR-REWPJTCUSA-N 478.645 2.290 30 10 JEEE CCCOc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCc2n[nH]c(C)n2)cc1OC 1764594837 HXASKPRNJXNUOR-QGZVFWFLSA-N 452.519 2.141 30 10 JEEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H]2CCC[C@@H](O)C2)c1 1766940538 AYJUIXAGUJQUBP-CDMIOBSGSA-N 476.578 2.188 30 10 JEEE COC(=O)N1CCC(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@H](NC(C)=O)C2)CC1 1767935513 DYNLDXPCNGAUHR-NRFANRHFSA-N 495.584 2.312 30 10 JEEE COc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@](C)(C#N)C2)c(OC)c1 1768671186 FJPRBNYBVOLYMG-VGOFRKELSA-N 459.572 2.376 30 10 JEEE C=CCOC(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2cc3ccccc3oc2=O)cc1 1859011963 SUPWMHWMWMABFV-UHFFFAOYSA-N 456.476 2.366 30 10 JEEE CCCC[C@@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H](c1ccc(O)cc1)N(C)C 1869933586 JMOYOKYYELGBGL-UXHICEINSA-N 458.584 2.409 30 10 JEEE C=CCn1cc(OCC(=O)Nc2ccccc2C(=O)OCC)c(=O)cc1CSc1nnnn1C 1870247187 AHLLFNQTYZXULW-UHFFFAOYSA-N 484.538 2.044 30 10 JEEE CC(=O)N1CCN(Cc2cc(=O)c(OCc3ccc(C#N)cc3)cn2Cc2cccnc2)CC1 1870349000 VTAPXZXYEPMGMC-UHFFFAOYSA-N 457.534 2.406 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)COc2nonc2CC(=O)N(CC)CCCC)nc1C 1872637296 UUKLQLSINCHTDS-UHFFFAOYSA-N 465.532 2.386 30 10 JEEE C[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)C(=O)Nc1ccc(C#N)cc1 1873864356 FYZBKTHAJMRLGI-RDJZCZTQSA-N 458.515 2.241 30 10 JEEE C=CCn1c(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc2c(NC[C@@H](C)O)ncnc21 1875230126 PRNHLKLOQHFGLF-MRXNPFEDSA-N 465.514 2.281 30 10 JEEE CC1CCN(S(=O)(=O)c2ccc(C(=O)N3CCC[C@@H](Oc4nccnc4C#N)C3)cc2)CC1 1891982396 OLPRSGCTTFLAIU-LJQANCHMSA-N 469.567 2.452 30 10 JEEE Cc1ccnc(C(N)=NO)c1-n1c(C)nc(I)c1I 2097114358 FBLZMDWBAYOWDF-UHFFFAOYSA-N 483.051 2.188 30 10 JEEE C#CCN(C(=O)C1=C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C1)C1CCN(C(=O)OC(C)(C)C)CC1 2136313641 ZHFROXASRKCGEO-MOPGFXCFSA-N 463.575 2.432 30 10 JEEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)CC1 2247951266 HITXGUAXXHQOBX-UHFFFAOYSA-N 458.411 2.289 30 10 JEEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)CC1 2247951704 JTVYGPJZWLUBGT-UHFFFAOYSA-N 458.411 2.289 30 10 JEEE CN(C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1)[C@H]1CCN(C(=O)OCc2ccccc2)C1 2255538001 DRQVOLRONNJVIY-SFHVURJKSA-N 468.363 2.202 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C[C@H](O)C1 2255539219 WNPUBYFVIADYFD-AWEZNQCLSA-N 452.382 2.101 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](O)CN(C(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2255707067 RGDPINNYOQQAGY-UONOGXRCSA-N 452.382 2.147 30 10 JEEE CC(C)(C)OC(=O)N1[C@H]2C[C@@H]1CN(S(=O)(=O)c1cc(B3OC(C)(C)C(C)(C)O3)cs1)C2 2255941912 KSWXUTQWAOPLFL-GASCZTMLSA-N 470.422 2.430 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](F)[C@H](C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C1 2256639058 GANMFMKXIDBWSR-CHWSQXEVSA-N 455.361 2.264 30 10 JEEE CC(C)(C)OC(=O)NCC1CC(F)(CNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2267095045 CGZBLYYZUISYBJ-UHFFFAOYSA-N 452.336 2.082 30 10 JEEE CN(C(=O)c1csnc1B1OC(C)(C)C(C)(C)O1)[C@@]1(CNC(=O)OC(C)(C)C)CCOC1 2267159884 SZXUQMARQNMACT-OAQYLSRUSA-N 467.397 2.198 30 10 JEEE CN(C(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1)[C@@]1(CNC(=O)OC(C)(C)C)CCOC1 2267175175 ZBDJTIUGVGGZFS-OAQYLSRUSA-N 467.397 2.198 30 10 JEEE Cc1c(B2OC(C)(C)C(C)(C)O2)csc1C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O 2267577857 VXQCJBNLWOUDIC-GDBMZVCRSA-N 466.409 2.313 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)CC[C@H]1C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)s1 2268784954 ITDQBCSCOWYNPJ-ZBFHGGJFSA-N 466.409 2.424 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@H]2CCN(C(=O)c3occc3B3OC(C)(C)C(C)(C)O3)C[C@@H]21 2282051894 KHKSZYMGCXVDLC-IRXDYDNUSA-N 462.352 2.429 30 10 JEEE CCC(CC)(CNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)NC(=O)OC(C)(C)C 2282349493 ZLAVLHDPDLYTCU-UHFFFAOYSA-N 486.444 2.081 30 10 JEEE CC1(C)OB(c2ccsc2S(=O)(=O)NC[C@]2(O)CCCN(Cc3ccccc3)C2)OC1(C)C 2282415509 IPDQCCPHXSGZNG-HSZRJFAPSA-N 492.472 2.353 30 10 JEEE Cc1nc(C(=O)N2CCO[C@@H](CN(C)C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2282512933 LUIXGKYVAYKXBH-HNNXBMFYSA-N 481.424 2.459 30 10 JEEE Cc1nc(C(=O)NC[C@@]23C[C@@H](CO2)N(C(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)s1 2282525536 LBRAIYAGUREEKF-RCDICMHDSA-N 479.408 2.259 30 10 JEEE CCn1cc(C(=O)N[C@]23CC[C@H]2CN(C(=O)OC(C)(C)C)C3)nc1B1OC(C)(C)C(C)(C)O1 2282540595 LNPVDFMTIBWSQJ-WNSKOXEYSA-N 460.384 2.332 30 10 JEEE Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1O 2282683855 JCTCGBDGEKQOKL-QZTJIDSGSA-N 460.380 2.394 30 10 JEEE CN(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)[C@H]1CN(Cc2ccccc2)C(C)(C)C1 2282698406 BQTQJMDQSKKROJ-GOSISDBHSA-N 453.396 2.239 30 10 JEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H]1CCCCN(Cc2ccccc2)C1 2282862652 GJICDPATZLBKCQ-LJQANCHMSA-N 474.436 2.052 30 10 JEEE C[C@@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2O)C[C@@H]1NC(=O)C(F)(F)F 2282979960 HQHWZAIJZILFEI-DOMZBBRYSA-N 456.270 2.221 30 10 JEEE Cc1ccnc(C(=O)N[C@@H](COCc2ccccc2)CC(=O)O)c1B1OC(C)(C)C(C)(C)O1 2284466433 XMHXWSABNNRJPX-GOSISDBHSA-N 454.332 2.479 30 10 JEEE CN(C[C@@]1(O)CCCN(C(=O)c2occc2B2OC(C)(C)C(C)(C)O2)C1)C(=O)OC(C)(C)C 2286339258 NZQJZZYAPONUTB-QHCPKHFHSA-N 464.368 2.413 30 10 JEEE CC(C)(C)OC(=O)N(CCO)CCC(=O)NCc1sccc1B1OC(C)(C)C(C)(C)O1 2319803381 NNJXEDVDSMHZKZ-UHFFFAOYSA-N 454.398 2.283 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1CNC(=O)c1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1O 2339425958 KXOGQZALIUQYPO-MLGOLLRUSA-N 450.316 2.474 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2C[C@@H](B3OC(C)(C)C(C)(C)O3)C2)[C@@H](CC(N)=O)C1 2343356436 VUOSNAKJFWRHSA-XHSDSOJGSA-N 451.373 2.182 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCCCC12CN(C(=O)OC(C)(C)C)C2 2362351944 LWKVSAXKZAIUIE-UHFFFAOYSA-N 460.384 2.335 30 10 JEEE COc1nc(N2C[C@@H]3OCCN(Cc4ccccc4)[C@@H]3C2)ccc1B1OC(C)(C)C(C)(C)O1 2365343925 HDYPULQGPUBUPK-RTWAWAEBSA-N 451.376 2.479 30 10 JEEE CC(C)(C)OC(=O)NC[C@]1(C)CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CC1(F)F 2379678559 AMPCKGSRLGJAPV-HXUWFJFHSA-N 470.326 2.331 30 10 JEEE COCCCn1c(=O)/c(=C\c2ccccc2OC(F)F)s/c1=C(/C#N)C(=O)NCc1ccccc1 12565104 OKHKSEHEGJIMOM-TVDLNIMFSA-N 499.539 2.367 30 10 JEEE COc1ccc(/C(C)=N/Nc2nc(SCC(=O)Nc3ccc4c(c3)C(=O)NC4=O)n[nH]2)cc1OC 21078815 XMXDGXQMBVMXLD-KBKYJPHKSA-N 495.521 2.272 30 10 JEEE NC(N)=NS(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccccc2OCCc2ccccc2)cc1 25778621 YYKLDLXCQYJVRR-UHFFFAOYSA-N 497.602 2.397 30 10 JEEE N#Cc1cccnc1N1CCN(C(=O)[C@@H]2CCN(c3cccc(Br)c3)C2=O)CC1 59367879 KAJARRQUIONNSC-SFHVURJKSA-N 454.328 2.417 30 10 JEEE N#C[C@@H]1C(=O)Nc2nc(N3CCC(C(N)=O)CC3)[nH]c(=O)c2[C@H]1c1cccc(Oc2ccccc2)c1 72443815 PLVXLDRQJDUECP-PMACEKPBSA-N 484.516 2.488 30 10 JEEE CCS(=O)(=O)N1CCC(c2c[nH]c3c(C(N)=O)cc(B4OC(C)(C)C(C)(C)O4)cc23)CC1 202873431 JQGPTWOSQMRKLG-UHFFFAOYSA-N 461.393 2.095 30 10 JEEE N#Cc1cc(S(=O)(=O)N2CCCN(S(=O)(=O)c3ccc(Cl)s3)CC2)ccc1F 488766793 XXBYGULAJFMKKR-UHFFFAOYSA-N 463.965 2.498 30 10 JEEE C#CCNC(=O)[C@H](C)OC(=O)c1ccc(CNS(=O)(=O)c2ccc(F)c(Cl)c2)cc1 855700042 FEVVVIOPPZDNIH-ZDUSSCGKSA-N 452.891 2.252 30 10 JEEE COc1ccc(NC(=O)CSc2nnc(NN=Cc3cccc([N+](=O)[O-])c3)n2N)cc1OC 1084613205 JNGZLFVBWWCFAY-UHFFFAOYSA-N 472.487 2.094 30 10 JEEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@](C)(C(N)=O)c2cccc(C(F)(F)F)c2)c1 1148294817 OMKVXKNKXUBDBH-IBGZPJMESA-N 455.458 2.300 30 10 JEEE N#Cc1cc(Cl)ccc1S(=O)(=O)N1CCN([C@@H](C(N)=O)c2ccc(Cl)cc2)CC1 1189079542 FJHMHEWENGEHMZ-GOSISDBHSA-N 453.351 2.398 30 10 JEEE CCN(CC)C(=O)COc1cccc(NC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)c1 1214316453 BNGMWJXQRZAGCM-KRWDZBQOSA-N 451.531 2.338 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2Cc2nnc3n2CCCCC3)c1 1286312736 ZNIRGDLBGJDSMI-UHFFFAOYSA-N 462.558 2.237 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H](C)Oc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1286396937 XKTMEJLXMNCVMW-SCTDSRPQSA-N 462.547 2.015 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(C)C)n1CCN1CCN(C)C(C)(C)C1 1286453117 WKHNRDKYMFWPCP-UHFFFAOYSA-N 469.609 2.221 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1(O)CCCC1 1286461979 AYKNLEKNUHOLLG-UHFFFAOYSA-N 450.543 2.066 30 10 JEEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCC[C@H]1OC 1286462064 CNCIEHKIYDXDMP-PKOBYXMFSA-N 460.604 2.139 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2CCCOC2)CC1 1286488327 MQLRPCOCSXRLDT-HNNXBMFYSA-N 475.391 2.428 30 10 JEEE C#CCSCCn1c(CCOc2ccccc2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1286508624 NTMYLUTXPLBERW-XMMPIXPASA-N 482.610 2.081 30 10 JEEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@@H](COC)C1 1286688953 UUEBLTXINYVYLN-RTBURBONSA-N 455.625 2.220 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](c2ccc(F)cc2Cl)C1 1286778382 BOWKWQKBVCIKFX-SFHVURJKSA-N 476.940 2.187 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)CC1COC(C)(C)OC1 1286783950 QVSFYBWUNKHNIE-UHFFFAOYSA-N 459.547 2.100 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(c2cccc(F)c2F)CC1 1286790623 VCQFXKPELKUEQS-UHFFFAOYSA-N 453.497 2.171 30 10 JEEE C=CCSCCn1c(N2CCN3CCOC[C@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1286836025 FCXZSZDSONQUIT-CEXWTWQISA-N 478.663 2.489 30 10 JEEE Cc1cc(C)n(Cc2nnc(N3CCN(c4cccc(F)c4C#N)CC3)n2CCCC(=O)N(C)C)n1 1290644960 BUQKLUTVZONQAM-UHFFFAOYSA-N 493.591 2.346 30 10 JEEE CCC(O)(CC)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1292283146 BEMORXSBESGBNO-WOJBJXKFSA-N 473.599 2.181 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@H]1CC(F)(F)CO1)[C@@H]1CCS(=O)(=O)C1 1300488566 FITMLYUCJLGHBL-NVXWUHKLSA-N 496.536 2.013 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1Cc1nc2cc(OC)ccc2n1C)[C@@H]1CCS(=O)(=O)C1 1300495722 JUTYFNKHAIBMNT-QGZVFWFLSA-N 470.599 2.047 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1ccc(N(CC)CC)nc1)[C@H]1CCS(=O)(=O)C1 1300495990 MEKIUCCIUFCOHI-SFTDATJTSA-N 486.642 2.436 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCCO2)n1Cc1cccc(CN2CCO[C@H](C)C2)c1 1300677172 ZRGDJWXMCNPUKM-NFBKMPQASA-N 453.587 2.485 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2ccc(Br)s2)CC1 1300681548 TWYWHRBTEUREKA-UHFFFAOYSA-N 477.432 2.336 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@](C)(O)C2CC2)CC1 1300700782 WKFCUOGZQWUVBV-CLOONOSVSA-N 472.634 2.309 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCCc3ccccc3)n2CC(C)(C)C(=O)NC)CC1 1300729325 VSQGMRQIWCWOBS-UHFFFAOYSA-N 464.614 2.191 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2CC2([S@@](C)=O)CCC2)CC1 1300731684 SHKXHDVGPBHJCB-UUWRZZSWSA-N 487.601 2.263 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(F)c(F)c1 1300806115 PXLCIHLWKDAYKV-DENIHFKCSA-N 479.553 2.124 30 10 JEEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CCOC)[C@H](C)C1 1300952577 YTPGVBUAJHCMCF-RTBURBONSA-N 464.611 2.320 30 10 JEEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 1301222636 BPNCVPLWLBQLLO-SFTDATJTSA-N 459.616 2.002 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1301492662 MNCYPLXQEKGCHL-QGZVFWFLSA-N 481.557 2.415 30 10 JEEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(Cc2cccc(F)c2)CC1 1301510144 UJDNKTYURAKTAJ-UHFFFAOYSA-N 497.600 2.033 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1301576910 IKOXRIMNITULPQ-UGKGYDQZSA-N 473.643 2.265 30 10 JEEE CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C[C@H](C)C#N)N1CCc2ccccc2C1 1305804504 HRLSQCRNSJVJNT-DBXWQHBBSA-N 473.647 2.321 30 10 JEEE CCN1CCN(C[C@@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCOC[C@H]2C)CC1 1313954131 AQLOPXUAMXHZIG-NHCUHLMSSA-N 467.618 2.227 30 10 JEEE CS(=O)(=O)CCn1c(COc2ccc(Br)cc2)nnc1N1CCC(C#N)CC1 1316348921 GYKIWIZGIPAGML-UHFFFAOYSA-N 468.377 2.404 30 10 JEEE C#CCCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)CC(=O)N1CCOCC1 1358912281 NLRZTQAHWWKDJS-UHFFFAOYSA-N 488.633 2.491 30 10 JEEE C#CCN(c1nnc([C@@H](C)CC)n1CC1(N2CCCC2)CCOCC1)[C@H]1CCS(=O)(=O)C1 1358957210 REXZBIPOCBSXOE-PMACEKPBSA-N 463.648 2.063 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCC(=O)Nc1ccccc1)[C@H]1CCS(=O)(=O)C1 1358961684 DBCZDGYEEKTOQO-PMACEKPBSA-N 471.583 2.175 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCN(C)Cc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1358964022 RSURASLIOUJPDG-IFMALSPDSA-N 489.617 2.070 30 10 JEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](c2ccc(F)cc2)C1 1359048891 CXKDUFAETNQZOX-NVXWUHKLSA-N 451.593 2.388 30 10 JEEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1359057722 GXXPOMAVSPRNJX-FQEVSTJZSA-N 488.564 2.280 30 10 JEEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@](C)(N2CCOCC2)C1 1359089761 OTKZCKFCFODUMY-ZWOKBUDYSA-N 470.412 2.212 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1CCCc2c1cnn2C 1359189103 ALSVKGGIKLIBLA-AZUAARDMSA-N 491.662 2.461 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@H](N2CCCC2=O)C1 1359304791 JOYKNPFLLZTXOW-KRWDZBQOSA-N 458.950 2.014 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CC2(N3CCOCC3)CCCCC2)C1 1359311543 CLSPOKVGMVBYLD-HXUWFJFHSA-N 460.623 2.233 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Br)nnc1N1CCC[C@H](C(=O)NC)C1 1359329292 DXGUZRVLZYBNMN-HNNXBMFYSA-N 496.431 2.271 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1359332560 ANDTZVHENPXYNB-SJORKVTESA-N 465.570 2.421 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1359333968 PKOAWOLFTKXXNI-LJQANCHMSA-N 490.630 2.310 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(Br)cc2)nnc1N1CC(C)(OC)C1 1359334686 NXJRCTJHVMINFA-UHFFFAOYSA-N 485.404 2.446 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@H]1CC1(C)C 1360707631 HSNMLWZFCRYORD-FXAWDEMLSA-N 471.631 2.128 30 10 JEEE CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1501401115 HHXIWBKXQWXZJH-UHFFFAOYSA-N 478.645 2.290 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN(C(=O)OC(C)(C)C)C1CC1 1507539300 UKNARSHDRDVWRV-CVEARBPZSA-N 451.593 2.038 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2C[C@@H]2CN(CC(C)C)CCO2)c1 1507551221 VQJMYHWEOPPGJS-GMAHTHKFSA-N 480.613 2.195 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1CCCOC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1507633850 JWTHBYGEDCAZTC-JOCHJYFZSA-N 486.638 2.390 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@H]1NC(=O)CC1(C)C 1507648108 JYSGTRGKWRWBDI-HXUWFJFHSA-N 471.565 2.223 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@H]1CCN(CC)C1 1507652333 HBIPUIVLNPKSFL-HXUWFJFHSA-N 457.582 2.480 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@H](c2ccco2)N(CC)CC)CC1 1507738317 NAUYKURMGWVZOQ-OAQYLSRUSA-N 476.585 2.377 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@H]2CCCN(CC(C)C)C2)CC1 1507740833 FXZZXRUEBYHEOQ-RBBKRZOGSA-N 456.635 2.463 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@H](C)N2CCOCC2)CC1 1507741174 WAZDCQSVNFNGCO-QFIPXVFZSA-N 494.640 2.160 30 10 JEEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1507747668 KLUMPIIAQRTTGH-QGZVFWFLSA-N 464.613 2.342 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1507803811 IXTJOMCHMZZIOV-XXBNENTESA-N 487.674 2.262 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1cccc(OC)c1 1507820076 AGIVPMKTUKPKCA-GOSISDBHSA-N 461.588 2.021 30 10 JEEE C=C(C)COCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1507838073 JZRJJLVIQFOWEV-UHFFFAOYSA-N 472.553 2.230 30 10 JEEE C=CCCCn1c(-c2cnn(C)c2)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1507946844 XUFUZHIPBJRFIY-UHFFFAOYSA-N 455.588 2.464 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC(C)C)n1CC1(O)CCS(=O)(=O)CC1 1507999399 MOZQUIUKSSYSIE-UHFFFAOYSA-N 457.600 2.481 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCS(=O)(=O)CC=C)C1 1508122791 GGQCHCCDFXRRFA-YLJYHZDGSA-N 460.556 2.173 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CC[C@@H](C(=O)N(C)c2ccccc2)C1 1508142766 BFWIBXHCBYHTLW-OAQYLSRUSA-N 494.621 2.354 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1Cc1nc2cccc(Cl)c2n1C 1510147592 BZSIDWCFCIHRET-STQMWFEESA-N 464.983 2.215 30 10 JEEE COc1cc(OC)cc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCS(=O)(=O)CC2CC2)c1 1518045006 CYYHKHPYPASOOM-NRFANRHFSA-N 463.535 2.229 30 10 JEEE C#CCN(CCOC)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H]1CCCS(=O)(=O)C1 1539417595 NGAWZZKJAFLGKU-SFHVURJKSA-N 450.992 2.433 30 10 JEEE C#CCSCCn1c(-c2ccccc2OC)nnc1N1CCC(CNS(C)(=O)=O)CC1 1539505778 MOHCJZMQAKICLM-UHFFFAOYSA-N 463.629 2.086 30 10 JEEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 1539517621 PZEARBIHPXMSPU-SFHVURJKSA-N 472.590 2.048 30 10 JEEE C#CCSCCn1c(N2CC[C@H](NC(=O)OC(C)(C)C)C2)nnc1[C@@]1(OCC)CCOC1 1539530333 FYVFTHVGPSNKCC-HTAPYJJXSA-N 465.620 2.400 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCCCN1CCC(C)CC1 1539538485 JHDWOGWYMALCNS-SIKLNZKXSA-N 450.653 2.393 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCOc1ccccc1 1539557389 SHYFSZNWXKFUMX-NZQKXSOJSA-N 473.599 2.072 30 10 JEEE C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1539686446 WKZFZXVXGBYIDJ-ZDUSSCGKSA-N 460.340 2.144 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1CCCN(Cc2ccccc2)C1 1539704804 IZWLGMVKMRCBCM-VXKWHMMOSA-N 488.658 2.288 30 10 JEEE C=C(C)COCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(CC(=O)N(C)C)CC1 1539735047 DUPCKQFJNKQFQJ-UHFFFAOYSA-N 479.589 2.208 30 10 JEEE C=C(C)COCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1539735707 OAKMDDLOGLWQOP-LJQANCHMSA-N 479.589 2.207 30 10 JEEE C=CCCOCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCOCC2(CC2)C1 1540029366 QDDVBEOVSRDNEI-UHFFFAOYSA-N 475.615 2.405 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1540874878 UWGPTBWKHBNFEY-XLIONFOSSA-N 466.586 2.172 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N(C)CC(=O)Nc1c(C)cccc1C 1540902269 FLWXJZPRIJRRRZ-GOSISDBHSA-N 461.588 2.075 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CCN(CC)[C@@H](C)C1 1540908965 SUHXMDXDRYYYTH-KRWDZBQOSA-N 451.568 2.127 30 10 JEEE C[C@@H]1C[C@@H](CCn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCO[C@H](C#N)C2)CCO1 1543624144 HZAASVCMEJPHOF-ZIFCJYIRSA-N 459.572 2.283 30 10 JEEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCS(C)(=O)=O)C[C@@H](C2CC2)O1 1545057997 CLFPXIWXVXDRSO-JXFKEZNVSA-N 459.572 2.167 30 10 JEEE CCO[C@H](CCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1)C(C)C 1547836271 HVQWDHKYMMELOC-OAQYLSRUSA-N 497.648 2.206 30 10 JEEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1587701765 JWECSROGYWRUJM-HXUWFJFHSA-N 462.558 2.448 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@H](C)c1nccs1)[C@H]1CCS(=O)(=O)C1 1588029635 JTBHBBQXEPTOHV-RDJZCZTQSA-N 478.644 2.083 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCCOc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1588049596 JCNMCODKNQKJAV-FQEVSTJZSA-N 468.583 2.083 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CCN1CCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1588069008 FCZBWPAVXCKESR-NHCUHLMSSA-N 471.627 2.277 30 10 JEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@](C)(O)CCC(C)C 1588125055 ZNTBKVKXCKMQTK-QHCPKHFHSA-N 456.616 2.498 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCC1(O)CCOCC1 1588128496 MOJURRHVVAMZPB-UHFFFAOYSA-N 474.565 2.069 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2cc(F)ccc2OC)CC1 1588930257 RCFLNEGIQJOHKZ-GOSISDBHSA-N 455.534 2.334 30 10 JEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@](C)(O)c2ccc(F)cc2)CC1 1594181445 LJGBSLXIOWDCTL-QVKFZJNVSA-N 451.568 2.338 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCOC[C@H]1C 1595115493 JPGRDYBOTHNEST-CTNGQTDRSA-N 459.616 2.094 30 10 JEEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1C[C@@H](C)CC[C@H]1C 1595490637 VIZIRADWWNGCKS-JKSUJKDBSA-N 459.620 2.474 30 10 JEEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1595594125 KKCDFQOEIAIPEE-QGZVFWFLSA-N 450.584 2.200 30 10 JEEE C=CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@@H](C(=O)OC)C1 1595878018 GKLAJMFGDBTADV-GOSISDBHSA-N 457.604 2.371 30 10 JEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(=O)c2ccccc2)CC1 1595883946 DQABTIZKFLXILM-FQEVSTJZSA-N 489.667 2.452 30 10 JEEE CS(=O)(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCCO2)C1 1620172417 DIKJJXWXVTWBNE-UYAOXDASSA-N 458.588 2.151 30 10 JEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(CN2CCC(C(N)=O)CC2)cc1 1626539550 HMWXXGSVWCLQDJ-OAQYLSRUSA-N 456.587 2.307 30 10 JEEE C#CC(C)(C)NC(=O)c1ccc(S(=O)(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 1629189224 BXEFQXSFULXKPA-UHFFFAOYSA-N 452.536 2.427 30 10 JEEE N#Cc1ccc(-n2ccc(NC(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)n2)c(Cl)c1 1637066598 HRRGTDYJDJDGOL-UHFFFAOYSA-N 454.899 2.465 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@@]3(C)C2)s1 1644226246 GUVBPPUYVBKUIR-YCRPNKLZSA-N 469.629 2.470 30 10 JEEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CCC2(F)F)n1 1686484713 LPVTZPJVXLXKFI-KRWDZBQOSA-N 455.506 2.319 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cccn(CC)c1=O 1689853638 WTJCTZCQNIUZPB-PKOBYXMFSA-N 470.574 2.274 30 10 JEEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1689863023 LMPQWRVCHAVIQT-GAJHUEQPSA-N 460.600 2.162 30 10 JEEE C#CCCCn1c(CCOc2ccccc2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1689935581 LNRHZPCNOLVBRC-UHFFFAOYSA-N 459.554 2.134 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC1([S@](C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1689979651 FQNOXFQGLWBALE-NNOQDNEASA-N 494.614 2.095 30 10 JEEE C#CCN(c1nnc(-c2ccccc2F)n1CC1CCN(C(=O)OC)CC1)[C@H]1CCS(=O)(=O)C1 1689986811 XOKHUKDPARKGJE-SFHVURJKSA-N 489.573 2.189 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@](C)(O)c1cccs1)[C@@H]1CCS(=O)(=O)C1 1689988496 QAQVQBDGHPUOHA-VGSWGCGISA-N 471.608 2.244 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1689989728 IBTCQUBKLDHLQA-NCYKPQTJSA-N 477.675 2.165 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(OC)ccc2Br)n1C[C@H]1COCCO1 1690096105 MTYYVRHRMJQFHS-INIZCTEOSA-N 465.348 2.218 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2CCN2CCC[C@H]2C)CC1 1690148413 FYRUDQFADCOGCJ-LJQANCHMSA-N 452.578 2.458 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCc1nccs1 1690246455 UQTIOEQLDSOKHH-RYRKJORJSA-N 451.618 2.297 30 10 JEEE CCCN1CC[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](CNS(C)(=O)=O)C2)C1 1695355500 AURPWECMGVCWKQ-SFTDATJTSA-N 485.658 2.314 30 10 JEEE CN(C)[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](C(N)=O)C1)c1ccco1 1696601622 GFGJPRMHIBESBO-AZUAARDMSA-N 463.542 2.326 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)c1 1705506649 DHWWLQWOVHLSGA-WCWDXBQESA-N 489.580 2.449 30 10 JEEE C#CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1705515172 WFSVVGUUFBZFAC-QGZVFWFLSA-N 478.644 2.055 30 10 JEEE C#CCN(c1nnc(-c2cccc(Br)c2)n1C[C@](C)(O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1705562231 ZEEQJCUPDWYHHH-NQIIRXRSSA-N 493.427 2.495 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCN(CC(F)(F)F)C1 1705589857 YIOWCODIQQGSSI-KRWDZBQOSA-N 459.476 2.273 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccnc3)n2C[C@@H](C(CC)CC)N2CCOCC2)CC1 1705637527 AZUMGKUVTSYGDQ-QHCPKHFHSA-N 451.619 2.232 30 10 JEEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1705654345 FHONSLMRBALTCO-HXUWFJFHSA-N 461.569 2.235 30 10 JEEE C=CC[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](CNC(C)=O)C1)c1ccccc1 1705795312 HETPEAKDIIVTSR-VXKWHMMOSA-N 466.586 2.215 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCO[C@@H]1C(C)C 1705876277 TURYLOXAQVEGMV-HSALFYBXSA-N 467.636 2.241 30 10 JEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N(C)C[C@@H]1CN(CC)c2ccccc2O1 1705907786 XLDIYPDMOQDGJO-HXUWFJFHSA-N 478.601 2.166 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)c2ccccc2)CC1 1705935064 FYTAAPHHLKEXGB-UHFFFAOYSA-N 459.616 2.430 30 10 JEEE CCOc1cc(Cn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@@H](C#N)C2)ccc1OC 1710505274 DBQFVCZRRADUIY-KRWDZBQOSA-N 482.566 2.454 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc(OC)c(Br)c1 1722274923 AQTLYSPUKVRORB-UONOGXRCSA-N 484.420 2.360 30 10 JEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](CN2CCC(C)CC2)C1 1722323763 HRSBZNQZSOHSDX-VQTJNVASSA-N 450.653 2.250 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCC[C@H]1OC)[C@H]1CCS(=O)(=O)C1 1722361200 FPKAJPQWVMMFIA-OKZBNKHCSA-N 463.991 2.435 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1C[C@]1(C)COCCO1)[C@H]1CCS(=O)(=O)C1 1722361216 YBGYSCOFLVMVGI-GHTZIAJQSA-N 464.975 2.031 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H](OC)C1CC1 1722389353 IFBQVEMADDJTFX-NRFANRHFSA-N 455.584 2.083 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(S(C)(=O)=O)cc1 1722390461 CWKBNYDAUJRGGG-XMMPIXPASA-N 470.595 2.233 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccccc2Cl)n1CCS(=O)(=O)N1CCSCC1 1722424395 LJNUUFQIAJYVCT-UHFFFAOYSA-N 484.047 2.063 30 10 JEEE C#CCN1CCN(c2nnc(CSc3ccccc3OC)n2CCc2n[nH]c(C)n2)CC1 1722441698 OLYJSMJTUKCVFA-UHFFFAOYSA-N 452.588 2.003 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CC[S@@](=O)C(C)(C)C)CC1 1722448236 WSMBQTHEVBLMFQ-SMWWQBHQSA-N 499.637 2.304 30 10 JEEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cccc(C#N)c1 1722477583 HZKYCJVWFDTWEM-CYBMUJFWSA-N 453.366 2.305 30 10 JEEE C=CC1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCCN2CCOCC2)CC1 1722576670 SCKUAUNVGYFRGQ-UHFFFAOYSA-N 488.658 2.320 30 10 JEEE C=CCNC(=O)Cn1c(N2CCc3ccc([N+](=O)[O-])cc3C2)nnc1[C@]1(OC(C)C)CCOC1 1722704426 SYPOKNIGSZDMPB-QHCPKHFHSA-N 470.530 2.092 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CC[C@](O)(c2cccc(F)c2)C1 1722726364 CYVDVLMDITZSBV-SIKLNZKXSA-N 464.563 2.358 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@@H](CC)C1 1722726524 CUEBNOLDJLTYLC-QGZVFWFLSA-N 480.660 2.465 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@H](CC)Oc1ccccc1F)[C@H]1CCS(=O)(=O)C1 1740621742 OQHXZGZMAABYMS-OALUTQOASA-N 486.573 2.302 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@@H]1CSCCS1)[C@@H]1CCS(=O)(=O)C1 1740627777 KMPHVVLHOPXOGU-IEBWSBKVSA-N 496.655 2.472 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCOc1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 1740629021 YTPYEIKCKPTNDW-GHTZIAJQSA-N 474.583 2.234 30 10 JEEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(NC(=O)C2CCC2)c1 1740661507 CXVGERSGFFJLMN-MRXNPFEDSA-N 458.588 2.135 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC(F)(F)F)n1 1740688242 SKPZCSLVIJLDEX-UHFFFAOYSA-N 496.515 2.394 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](c2ccccc2)N(CC)CC)CC1 1740688328 DLHYKAMUQWXURI-QFIPXVFZSA-N 451.619 2.255 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2[C@H]2C[C@@H]2C)CC1 1740706580 ZXBLKGZPSCTYCM-WDSOQIARSA-N 472.590 2.133 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC2([S@](C)=O)CC2)CC1 1740708391 NYYARGCUPWJQPZ-UMSFTDKQSA-N 483.638 2.351 30 10 JEEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1740749946 IQDGWBFVCGOQSW-OAHLLOKOSA-N 480.367 2.095 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1740761285 MTELFYQUNWDXBU-FUDKSRODSA-N 474.650 2.491 30 10 JEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2ccc(OC)c(OC)c2OC)CC1 1740818605 ONYTUIRLQSCFOU-MRXNPFEDSA-N 479.603 2.313 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](C)[C@@H](C)C1 1740960094 KYMSUBFLJUTGSR-BZSNNMDCSA-N 462.595 2.371 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(S(=O)(=O)CC)CC1 1740968993 ITZHOSQHGHYFIT-LJQANCHMSA-N 473.599 2.246 30 10 JEEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCOC[C@H]2CCOC2)[C@H](C)C1 1741055134 FGEFKFGQUJWZAR-DENIHFKCSA-N 482.585 2.229 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@H]1CCC[C@@H](O)C1 1744086496 GTODAYZBVFXHIK-PZJWPPBQSA-N 480.617 2.341 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1nccn1C(F)F 1748651027 HQCWHDJAORQMMX-CQSZACIVSA-N 463.514 2.293 30 10 JEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2ccsc2)CC1 1748699330 NWOVSDPGJBRTMB-KRWDZBQOSA-N 450.634 2.076 30 10 JEEE C#CCCCCn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1748709193 PYPKWFRBZUPMOG-UHFFFAOYSA-N 471.005 2.383 30 10 JEEE C#CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1748747944 POLGWZFLWJQUGM-GOSISDBHSA-N 482.610 2.492 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1CC1CCN(CCC(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 1748817668 NXGXDGQYDZPBMW-FCHUYYIVSA-N 477.675 2.167 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1coc(-c2ccc(C)cc2)n1 1748826712 ZEMPMVMMVRRHEA-GOSISDBHSA-N 466.567 2.167 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1c(CC)nn(C)c1OC 1748867486 HMNFACRGWVDQDB-XMMPIXPASA-N 454.575 2.134 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H]2CCOC[C@H]2C)CC1 1748972403 HZMYDAKAFLVXHO-UYAOXDASSA-N 471.005 2.289 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC[C@@H]1CCCCO1 1749159756 XXUFJUNXUXGQTL-OALUTQOASA-N 455.625 2.363 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)n(C)c1=O 1749529717 KKHDNZUCNSJLNA-NRFANRHFSA-N 497.621 2.437 30 10 JEEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1749604356 LRCYPBAYHLIHLK-SFHVURJKSA-N 486.020 2.180 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(c2cccnn2)CC1 1749726743 CSBUCNLKXSZTIM-UHFFFAOYSA-N 491.980 2.455 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCCC(C)(C)C1 1749730976 XPPRNJRLIDHWEE-UHFFFAOYSA-N 480.660 2.465 30 10 JEEE C[C@]1(C#N)CCCN(c2nnc(-c3ccccc3)n2CCS(=O)(=O)N2CCSCC2)C1 1751273009 BVCVJPRZFUMFJZ-OAQYLSRUSA-N 460.629 2.454 30 10 JEEE Cc1nnc([C@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCC(=O)NC(C)(C)C)CCO2)o1 1751864162 FDJULQLTMXJHON-GOSISDBHSA-N 464.530 2.391 30 10 JEEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1760154113 AIQCFABJUTURDG-UXHICEINSA-N 474.606 2.305 30 10 JEEE C#CCCCn1c(Cc2csc(C)n2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1760156512 IXNVVUZLQAOQQY-GOSISDBHSA-N 455.632 2.180 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1Cc1cnccc1OC)[C@@H]1CCS(=O)(=O)C1 1760183425 OXNUHQPYKWJELG-LJQANCHMSA-N 467.551 2.032 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H](OC)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1760188219 NOQXTIRCZOEDJJ-QHAWAJNXSA-N 458.584 2.187 30 10 JEEE C#CCN(c1nnc(CCCc2ccccc2)n1C[C@@](C)(O)C1CC1)[C@H]1CCS(=O)(=O)C1 1760191786 NEPPSMOPLDSVJJ-XUZZJYLKSA-N 456.612 2.241 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2CC2(N3CCOCC3)CCCCC2)n1 1760252587 PYNFDROEROWMJL-UHFFFAOYSA-N 455.607 2.104 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2CC[C@@H](N2CCOCC2)C(F)(F)F)CC1 1760260324 OKCWULKHILIUFF-HXUWFJFHSA-N 477.535 2.057 30 10 JEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 1760284558 ODODWIUBYWECAH-KRWDZBQOSA-N 462.620 2.213 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)N1CCOCC1 1760318282 FHLPUGCACJLDNJ-IRLDBZIGSA-N 450.543 2.093 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1760411852 FBNVRPFUQWVTJT-QZTJIDSGSA-N 484.630 2.159 30 10 JEEE C=CC[C@@H](Cn1c(C(C)C)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1)c1ccccc1 1760417242 ZMYQZNLNQVXKLQ-QFIPXVFZSA-N 480.613 2.269 30 10 JEEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1760507446 GNIRAILHLXSBFT-HXUWFJFHSA-N 471.587 2.176 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC(CC(=O)NC2CCCC2)CC1 1760559784 TWUHTHOBMVLACK-HXUWFJFHSA-N 479.647 2.396 30 10 JEEE Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)CC#N)n2C[C@]2(N3CCOCC3)CCSC2)n1 1762408058 GVHZOQAGESIMOE-XMSQKQJNSA-N 458.636 2.086 30 10 JEEE CCN(CC)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCN2CC)CC1 1764886738 HPLYAOFULHHCIE-HSZRJFAPSA-N 478.645 2.291 30 10 JEEE COc1cccc(-c2nnc(N3CCN(c4ccc(C#N)cn4)CC3)n2CC(=O)NC(C)C)c1 1768806149 GQWIRUCNRBEYEZ-UHFFFAOYSA-N 460.542 2.072 30 10 JEEE CCN(CC)CCCNC(=O)NS(=O)(=O)c1ccc(CNC(=O)c2cccc(C#N)c2)cc1 1858651405 RMUNEXRJJSSEMM-UHFFFAOYSA-N 471.583 2.208 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)[C@@H](C)Oc3cccnc3NC(=O)CCC(=O)O)cc21 1858752068 QEGGWOWTXWUKKX-CQSZACIVSA-N 453.451 2.447 30 10 JEEE COc1cc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCCNC=O)cc(OC)c1OC 1862601420 DSDJTPKHEQOESQ-FQEVSTJZSA-N 470.478 2.132 30 10 JEEE N#CCCN(C(=O)[C@H](OC(=O)c1ccccc1)[C@@H](OC(=O)c1ccccc1)C(=O)O)C1CC1 1866326629 AUZDLQSBULTCNH-WOJBJXKFSA-N 450.447 2.427 30 10 JEEE C=CCN(CC=C)c1nc(NC(=O)COc2ccc(OCC)cc2)n([C@@H]2CCS(=O)(=O)C2)n1 1870004641 GUPJBJMRHJVSLU-QGZVFWFLSA-N 475.571 2.232 30 10 JEEE Cc1cccc(Cn2nnc(C#N)c2NC(=O)CCCN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)c1 1870111037 UMSISYXXMYPOCG-UHFFFAOYSA-N 473.449 2.430 30 10 JEEE C=CCn1cc(OCC(=O)N(C)C[C@@H]2CCCO2)c(=O)cc1CN(CCO)Cc1ccccc1 1870547277 DDEOQAZVVNMBKG-QHCPKHFHSA-N 469.582 2.045 30 10 JEEE C=CCN=c1nc(N2CCN(c3ncccn3)CC2)[nH]c(=Nc2cccc(C(F)(F)F)c2)[nH]1 1871498534 VFTIQHQMAAFYHE-UHFFFAOYSA-N 457.464 2.192 30 10 JEEE C=CCn1c(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc2c(N(C)CCCC)ncnc21 1873595741 PKWQEAPSKSXLRU-UHFFFAOYSA-N 470.599 2.474 30 10 JEEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1(CO)CCN(C(=O)OC(C)(C)C)CC1 2067994703 GPLFWKPBPMKVRF-KRWDZBQOSA-N 453.580 2.419 30 10 JEEE CC(C)(C)OC(=O)NC1(C(N)=O)CCN(Cc2ccccc2B2OC(C)(C)C(C)(C)O2)CC1 2162879556 PDAUTPBDYDGYES-UHFFFAOYSA-N 459.396 2.330 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)OCC1(C)C 2180984204 IAUWWPQHEPYQIX-HNNXBMFYSA-N 462.356 2.129 30 10 JEEE C[C@H](C(=O)N1C[C@@H]2[C@H](C1)[C@@H]2B1OC(C)(C)C(C)(C)O1)N1CCN(C(=O)OC(C)(C)C)CC1=O 2180986937 IWDSHXYULHATFL-XLMAVXFVSA-N 463.384 2.005 30 10 JEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](C(=O)Nc2cc(Br)ccc2C#N)C1 2197773451 PFNKTNIJNQYGCT-AWEZNQCLSA-N 458.334 2.293 30 10 JEEE CC1(C)OB(/C=C/CNS(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)OC1(C)C 2245252874 ICPBMCQBIYSDPT-OGECGYFKSA-N 466.340 2.118 30 10 JEEE CN(C1CN(C(=O)OC(C)(C)C)C1)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2247880994 PCJHBBFXURPJOH-UHFFFAOYSA-N 458.411 2.287 30 10 JEEE C[C@H](O)CN(CCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(=O)OC(C)(C)C 2255614738 LRMSXMZCVBMSKI-AWEZNQCLSA-N 454.398 2.395 30 10 JEEE C[C@@H](O)CN(CCNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)OC(C)(C)C 2255700531 DTFDRHLHNKVTLQ-CQSZACIVSA-N 454.398 2.395 30 10 JEEE CC1(C)OB(c2ccc(S(=O)(=O)N3CC(NC(=O)OCc4ccccc4)C3)c(F)c2)OC1(C)C 2255932810 HDYNHFUUFUTWFE-UHFFFAOYSA-N 490.362 2.424 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)s1 2256620615 KNVNRYKHKKIUGW-HIFRSBDPSA-N 452.382 2.034 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(CN(C)C(=O)[C@@H](CO)NC(=O)OC(C)(C)C)s1 2256623113 ATYWCEXJSXBUBE-OAHLLOKOSA-N 454.398 2.200 30 10 JEEE CC(C)(C)OC(=O)N[C@@]1(CO)CCCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)C1 2267283183 LLXDWKGSYOASGS-QFIPXVFZSA-N 450.341 2.071 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@@H](NC(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)s3)[C@H]2C1 2267286793 RCBJTFXGAOQQBQ-KFWWJZLASA-N 464.393 2.411 30 10 JEEE Cc1c(C(=O)N(C)[C@@H](C)CCNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267528801 URLMDRPDCLZJBW-AWEZNQCLSA-N 450.389 2.403 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)c1F 2268648928 GBTPFAUMUFMITG-CZUORRHYSA-N 450.316 2.434 30 10 JEEE CC(C)(C)OC(=O)N[C@]1(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C[C@@H]2CCC[C@H]21 2272679891 MIZPUDLISFCBJL-OSRJUQGESA-N 464.397 2.281 30 10 JEEE Cn1ncc(C(=O)NCC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2281813372 DINSBGUSUVKMIA-MRXNPFEDSA-N 462.400 2.486 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@@H]([S@@](C)(=O)=NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2281983160 SIISQINVHDDPBH-LHRCYKKBSA-N 482.412 2.346 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H](CNC(=O)OC(C)(C)C)C[C@H]1C 2282000630 QNHASEMPCSWDSA-ZBFHGGJFSA-N 462.400 2.403 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 2282534875 XVFVULOXOLOIHP-NVXWUHKLSA-N 460.384 2.191 30 10 JEEE C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1N(C)C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2282544473 ODIHUOLFYGTUQW-DOTOQJQBSA-N 462.400 2.437 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N=[S@@](C)(=O)C2CN(C(=O)OC(C)(C)C)C2)n1 2282595393 TUGSRXVBEGVYAU-XIFFEERXSA-N 482.412 2.060 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C2(CCC2)C1 2282613114 YFZKJKWBKLRKSC-MRXNPFEDSA-N 458.368 2.295 30 10 JEEE C[C@@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(O)cc2O)C[C@H]1NC(=O)OC(C)(C)C 2282991382 FKPWBURVNJUHLT-CZUORRHYSA-N 462.352 2.382 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@](O)(CC(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C1 2284021441 YTTJCCNRUIGFDU-QFIPXVFZSA-N 481.424 2.211 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N1CCc2c(cccc2B2OC(C)(C)C(C)(C)O2)C1 2284068875 JMCKPGIROOCUKW-LJQANCHMSA-N 460.380 2.146 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N[C@H](CN(C)Cc1ccccc1)C(=O)O 2285200731 YRFPFCCGRVXCGT-LJQANCHMSA-N 453.348 2.004 30 10 JEEE Cc1cnc(C(=O)N(CCNC(=O)OC(C)(C)C)C[C@H](C)O)c(B2OC(C)(C)C(C)(C)O2)c1 2285397426 GNXCFHOIBILXDG-INIZCTEOSA-N 463.384 2.037 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2OCC[C@@]2(C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C1 2296391315 HWUPVVSGGPKQIX-RCDICMHDSA-N 479.408 2.085 30 10 JEEE COc1ccc([C@@H]2C(=C(O)c3c(C)nc4ccccn34)C(=O)C(=O)N2CCN2CCOCC2)cc1 2296926463 NRVYFVFAQZQZFQ-HSZRJFAPSA-N 476.533 2.405 30 10 JEEE Cn1c(=O)nc(O)c2c1nc(NN=Cc1cc(Br)ccc1O)n2C[C@@H](O)c1ccccc1 2327754014 NUTPIUCUABNLSB-MRXNPFEDSA-N 499.325 2.483 30 10 JEEE COc1cc(C=Nn2c(SCC(N)=O)nnc2[C@H]2CC(=O)N(C(C)C)C2)ccc1OC(C)C 2329013374 FGAYZXUSIRUNPN-INIZCTEOSA-N 474.587 2.258 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)Nc1ncccc1CNC(=O)OC(C)(C)C 2362354704 VQYSIUBMRCXXCO-UHFFFAOYSA-N 457.340 2.391 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(CC(=O)Nc4cccc(C)c4C)CC3)cc2C1=O 15026012 KCNSPWGSGUVXMD-UHFFFAOYSA-N 460.534 2.482 30 10 JEEE CCOC(=O)C1CCN(c2nc3c(c(=O)[nH]2)[C@H](c2ccc(SC)cc2)[C@@H](C#N)C(=O)N3)CC1 72444690 GLDQICPTKOLHPQ-IAGOWNOFSA-N 467.551 2.495 30 10 JEEE Cc1nc2c(C)cccn2c1/C(O)=C1/C(=O)C(=O)N(CCN2CCOCC2)[C@H]1c1cccnc1 103111056 BHSPWXDEHSAIIP-NNWMPZTLSA-N 461.522 2.100 30 10 JEEE COC(=O)c1[nH]c(C)c(/C(O)=C2/C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccco2)c1C 103112829 JEVWJBCBEYAHDT-HUZQBFDWSA-N 471.510 2.155 30 10 JEEE CC(C)[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)NCc1ccc(C#N)cc1F 609231421 UTMZKMGJZOIBGK-OAQYLSRUSA-N 461.515 2.478 30 10 JEEE C#CCN(C(=O)c1cccc(S(=O)(=O)Nc2cc(Cl)ccc2OC)c1)[C@@H]1CCS(=O)(=O)C1 729330951 JDSTUWWYBWLKEC-QGZVFWFLSA-N 496.994 2.412 30 10 JEEE C#Cc1cccc(NC(=O)CNC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c1 918343418 ZIUDSLAYVVTMCY-UHFFFAOYSA-N 459.955 2.477 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)[C@H]2CCN(c3ccccc3F)C2=O)s1 1136742921 CVLFTRXNUYIPPL-KRWDZBQOSA-N 451.545 2.158 30 10 JEEE C#CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1286322553 CIGVXCJWWPTRPF-IRXDYDNUSA-N 470.599 2.253 30 10 JEEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1286339781 YZJOVLPCVUCHPN-UHFFFAOYSA-N 459.510 2.007 30 10 JEEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1286352575 LSYRRBZSAQOYCS-IPMKNSEASA-N 472.590 2.057 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1ccc(C[S@@](C)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1286388954 DCEQWNZPKBWGJF-GSTQUKTASA-N 497.646 2.202 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1cn2ccc(C)cc2n1 1286402944 ZLUBPCIZGWRFQH-UHFFFAOYSA-N 458.547 2.426 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1286587685 RCDCVHQALYFEOD-UHFFFAOYSA-N 489.646 2.402 30 10 JEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1286711947 ROSILYROSSQMEK-IAGOWNOFSA-N 467.617 2.116 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCN(c2nc(C)c(C)s2)CC1 1286821155 BZDBDPBMLXHHOT-UHFFFAOYSA-N 452.650 2.477 30 10 JEEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1286836626 PKSMUAXNDGNQML-JLMWRMLUSA-N 462.620 2.407 30 10 JEEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CC[C@H](F)C1)[C@@H]1CCS(=O)(=O)C1 1300504626 PEFXHFRJYUJQQL-IXDOHACOSA-N 479.603 2.035 30 10 JEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](C)N1CCC[C@H](C)C1 1300527051 AIZXLQZIQOLPMQ-VQTJNVASSA-N 467.643 2.431 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1C[C@@H]1[C@H](C)CCN1C(=O)OC(C)(C)C 1300649154 LJIZPWJXUYGOPO-QZTJIDSGSA-N 462.595 2.148 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccnc3)n2Cc2ccnc(OCC(F)(F)F)c2)CC1 1300695758 IMKWFZDEEAFGIY-UHFFFAOYSA-N 457.460 2.480 30 10 JEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@](C)(O)c2ccccc2Cl)CC1 1300706428 LUJRQDPMVXFRSQ-XMMPIXPASA-N 468.005 2.456 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@@H](C)Oc2cccc(F)c2)CC1 1300719471 CAJQOBLGDKUMPO-QGZVFWFLSA-N 463.517 2.308 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2Cc2nnc3n2CCCCC3)CC1 1300725000 FIICPNUZAWUTRR-UHFFFAOYSA-N 452.607 2.199 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC)n2C[C@@H]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)CC1 1300725922 GIFGLBAEIRFBAK-SLFFLAALSA-N 470.618 2.309 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cn4ccccc4n3)n2C[C@H](CC(C)C)N(C)C)CC1 1300727044 UYZVESJOKQPZAO-QHCPKHFHSA-N 490.656 2.459 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCOCc2ccc(OC)cc2)CC1 1300733340 VGJSSOSNSYWYJE-JOCHJYFZSA-N 467.570 2.321 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1300892856 VWOJLZOBDIXQFR-VTZPFEBOSA-N 483.613 2.394 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](c2ccccc2)N(C)C)CC1 1301123377 BWKVKZNSMGLDCB-VXKWHMMOSA-N 488.658 2.316 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(C(F)(F)F)cc1 1301585691 NLSLICCAKBLVOB-MRXNPFEDSA-N 471.505 2.485 30 10 JEEE CC(=O)Nc1c[nH]nc1[C@@H]1CCCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C1 1307671711 GKJHGCRNVCQZDS-MJGOQNOKSA-N 455.588 2.018 30 10 JEEE CN(C)S(=O)(=O)c1ccccc1Cn1c(-c2cccnc2)nnc1N1CC[C@@](F)(C#N)C1 1314674072 HCMAKVBLWSUMTI-OAQYLSRUSA-N 455.519 2.081 30 10 JEEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)CN(C)C(=O)OC(C)(C)C)CCO1 1315006535 FJJNEWUICBDVIV-XLIONFOSSA-N 497.600 2.271 30 10 JEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](Cc2ccccc2)C1 1358913065 FCVWMKLJMSNUGD-FCHUYYIVSA-N 471.627 2.484 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccc(OC(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 1358964323 XIHWTERQUJBCLN-IAGOWNOFSA-N 466.510 2.058 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCCOC2)n1CCN1CCN(C(C)=O)CC1 1359017130 VEXCAHZMQKTQSD-JOCHJYFZSA-N 468.577 2.115 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CCN2CCSCC2)CC1 1359033232 UPCHEZMSLIDDFM-UHFFFAOYSA-N 470.643 2.156 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(Cn2cccn2)CC1 1359048240 JSFZYKGKAGFRPG-UHFFFAOYSA-N 450.572 2.405 30 10 JEEE C#CCSCCn1c(N2CCC(CN3CCOCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1359061744 LERXMQPJHPIXNX-XMMPIXPASA-N 477.675 2.234 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1359091489 OCLJTHLXOCFMOE-LEWJYISDSA-N 472.634 2.323 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1359100392 AWTVGTUTFIIMOF-UNMCSNQZSA-N 474.631 2.011 30 10 JEEE C=C(C)COCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(S(C)(=O)=O)CC1 1359132061 LYPXJWWKIGBWIV-UHFFFAOYSA-N 472.571 2.200 30 10 JEEE C=CCN(CC=C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(S(C)(=O)=O)CCCC1 1359269187 RUPBPULIZLADQY-UHFFFAOYSA-N 468.587 2.457 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1359294292 PORYCGPRUPVYQC-UHFFFAOYSA-N 476.585 2.332 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1359296599 OIMQHABRZSFEEF-UHFFFAOYSA-N 476.585 2.426 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 1359328436 DGPGIZWXQZQZJJ-UHFFFAOYSA-N 487.557 2.435 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1359328662 KXKIEQPMQJDBBG-UHFFFAOYSA-N 485.566 2.115 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1359332279 UIHZIEDQBIKENA-JOCHJYFZSA-N 494.706 2.115 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 1359336299 LBOKNNGWIZHEKK-DLBZAZTESA-N 469.608 2.176 30 10 JEEE C[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1)Oc1ccc(F)cc1 1360534409 FSDQTIHEEDAMBW-LSDHHAIUSA-N 450.540 2.235 30 10 JEEE C=CC[C@@H]1CCN(CC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC(C)C)C1 1460509710 CMTPBXPHXTVBKU-GOSISDBHSA-N 451.589 2.331 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(Cc3csc(CC)n3)CC2)s1 1464449353 UNBFQEYMZTUMNJ-UHFFFAOYSA-N 454.643 2.118 30 10 JEEE C#CCOc1ccc(F)cc1NC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 1465779377 GABIVMUCGKFWAW-SFHVURJKSA-N 454.506 2.255 30 10 JEEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(-c2ccc[nH]2)n1CCN(C)CC(F)(F)F 1494135520 DZKUGSXYXJWEAB-OAHLLOKOSA-N 474.495 2.144 30 10 JEEE CCOC(=O)N[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)C(=O)NC)C1 1502534279 DAQRGVVMLWAQQA-SFHVURJKSA-N 483.573 2.216 30 10 JEEE COC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1503913175 HZHMZODRKBAVJY-UHFFFAOYSA-N 495.628 2.288 30 10 JEEE C#CCN(c1nnc(C2CCCC2)n1CCNC(=O)c1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 1507631836 GQAPDZIDCBPHCK-NRFANRHFSA-N 469.611 2.301 30 10 JEEE C#CCN(c1nnc(CC2CCCC2)n1CCN(C)CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1507634115 JCOUZKNPTJVQBC-KRWDZBQOSA-N 461.554 2.132 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CC(C)(C)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1507634809 NKUOQXPBKCRTLI-OAQYLSRUSA-N 470.643 2.155 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC(=O)N(C)Cc2ccccc2)CC1 1507718596 QXAHWOJOBVOHTJ-UHFFFAOYSA-N 496.413 2.450 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(Br)cc3)n2CC(C)(C)C(=O)NC)CC1 1507725758 AJTSHGANPQIQGB-UHFFFAOYSA-N 489.418 2.147 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1507791874 SYDRFFMRRMEHIB-FXAWDEMLSA-N 496.678 2.038 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C 1507810605 XLZWKSYDJIWEHA-GWJPWWOOSA-N 450.543 2.377 30 10 JEEE C=C(Cl)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1507860215 KXZJODLBXTYAGK-GOSISDBHSA-N 474.949 2.481 30 10 JEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1 1507935874 VNNXLVDMXCFMLF-REWPJTCUSA-N 493.605 2.204 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(F)(F)F)n1 1508040255 VHIUSAWRJANOPM-CQSZACIVSA-N 459.494 2.281 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cc(F)ccc2OC)C1 1508127232 UEUJICVMOCINPU-QAPCUYQASA-N 450.536 2.158 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2OC)nnc1N1CC[C@@]2(CCCOC2)C1 1508148048 FLUDCJAFJDEHFM-QHCPKHFHSA-N 476.599 2.473 30 10 JEEE CN(C)CCOc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC#N)CC1 1517018703 GOOUYQGSHBUQRL-NRFANRHFSA-N 486.642 2.299 30 10 JEEE CNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 1517588964 HYKRWVQWFHYIPD-HXUWFJFHSA-N 450.465 2.483 30 10 JEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)COc1cccc(Br)c1C#N 1536511903 HOJVSJRBZWMCSB-GDBMZVCRSA-N 454.321 2.450 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(F)(F)C1(OC)CCOCC1 1539005141 XRKSFOJPXRFFKU-MRXNPFEDSA-N 486.523 2.481 30 10 JEEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CCc1c(OC)cc(OC)cc1OC 1539145236 HIGLNNBZZSOBKP-UHFFFAOYSA-N 450.499 2.263 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCNC(=O)[C@@H](C)CCC)[C@H]1CCS(=O)(=O)C1 1539211080 FVKRYVXPAXEHGB-WMZOPIPTSA-N 461.588 2.026 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H](C)SC)[C@H]1CCS(=O)(=O)C1 1539212550 QKLHPQIIIDOWRP-CVEARBPZSA-N 464.613 2.341 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCc1nnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1539213057 VCBOVLVZNJOABV-OAHLLOKOSA-N 478.003 2.023 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(NC(N)=O)cc1 1539267283 YHNAWELUBAYPTG-HXUWFJFHSA-N 493.568 2.198 30 10 JEEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc2c(c1)C(=O)NCC2 1539300042 RDTUVURAXFAZEO-SANMLTNESA-N 461.566 2.116 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(Cl)c2)n1CCS(=O)(=O)N1CCSCC1 1539399373 KJNZFMNJAIXVQL-UHFFFAOYSA-N 484.047 2.063 30 10 JEEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@@H]1[C@H](C)CCN1C(=O)OC(C)(C)C 1539421765 XSRXOMZNOPSYEJ-RTBURBONSA-N 474.606 2.132 30 10 JEEE C#CCSCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC(NS(C)(=O)=O)CC1 1539526264 MCPWSRPRIDIHOH-UHFFFAOYSA-N 477.656 2.358 30 10 JEEE C=C(Br)Cn1c(N2CC[C@@H]3OC(=O)O[C@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1539609609 QJZLYAQQFMSVAS-DEYYWGMASA-N 457.325 2.341 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 1539611954 FPYPEPDIKQVJGA-ZRBLBEILSA-N 482.629 2.253 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](CCc2ccccc2)C1 1539706795 TVRDRHZOQWQSFY-SFTDATJTSA-N 475.615 2.025 30 10 JEEE C=C(Cl)Cn1c(CCOc2ccccc2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1539812975 UFEWBRMIVMYSKE-IBGZPJMESA-N 458.950 2.419 30 10 JEEE C=CC[C@H](Cn1c(N2CCO[C@H](C(=O)NC)C2)nnc1[C@]1(OCC)CCOC1)c1ccccc1 1539947337 IYMDBATUDPGRIJ-CZSZKKDXSA-N 469.586 2.241 30 10 JEEE C=CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1540854181 NGOQOSUIPKJPHF-KRWDZBQOSA-N 459.620 2.474 30 10 JEEE C=CCn1c(N2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)nnc1[C@]1(OC(C)C)CCOC1 1540861521 VNODVVQQNGVZFR-RDPSFJRHSA-N 460.623 2.028 30 10 JEEE C=CCOc1ccc(Cn2c(Cc3cccnc3)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)cc1 1540879140 UJRUFMMUHDGETB-IBGZPJMESA-N 482.610 2.347 30 10 JEEE CCN(CC)C(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2[C@@H]2C[C@H]2C)CC1 1547416846 BRHWUXBKZVIMFM-WIYYLYMNSA-N 451.575 2.300 30 10 JEEE COCCNC(=O)[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CCN1C(=O)c1cccn1C 1548372703 XPAIACQKHBQUBU-IBGZPJMESA-N 463.460 2.009 30 10 JEEE COCCNC(=O)[C@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CC12CCN(C(C)=O)CC2 1548379781 ZYQXPYMZIFFQDW-LJQANCHMSA-N 452.477 2.405 30 10 JEEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)C(C)(C)C)C[C@H](C)O1 1555404781 IAWNUALCSZFWRW-PXNSSMCTSA-N 491.614 2.182 30 10 JEEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H](CO)c1ccc(F)cc1F 1585380001 DLOWLFGJNULIKM-ROUUACIJSA-N 451.495 2.268 30 10 JEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1587707106 WNWTZSNPICENKK-IKGGRYGDSA-N 468.624 2.041 30 10 JEEE C#CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1587831714 SDAOABIMSLJKQX-KRWDZBQOSA-N 461.588 2.141 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CC1(O)CCCCC1)[C@H]1CCS(=O)(=O)C1 1588035330 RTHUEHURZGQSES-INIZCTEOSA-N 496.431 2.358 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCCn1nc(C)cc1C)[C@@H]1CCS(=O)(=O)C1 1588041087 UPKNVVPDLCGCRY-JOCHJYFZSA-N 477.594 2.347 30 10 JEEE C#CCNS(=O)(=O)N1CCN(C(=O)COc2ccc(Cl)cc2C2CCCCC2)CC1 1588199555 UOXABPNBINPSGU-UHFFFAOYSA-N 453.992 2.378 30 10 JEEE C#CCN(CC)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(N2CCN(CC)CC2)nc1 1588433173 MOZDGKOCWGMPSJ-UHFFFAOYSA-N 461.618 2.184 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC[S@](=O)CC)CC1 1588961703 JMJBSNNYKNRYKY-MGBGTMOVSA-N 471.627 2.208 30 10 JEEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1589088780 IOJIIMBWVQJMEH-NRFANRHFSA-N 469.611 2.072 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1Cc1cccc(OCC(N)=O)c1 1589243196 WTUNFDNMLWIDOJ-XMMPIXPASA-N 478.578 2.174 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC=CCO1 1595133052 CCWLIBARALGESE-PZJWPPBQSA-N 491.589 2.288 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1595760809 UDZFQKOPEWEYJN-QGZVFWFLSA-N 463.652 2.065 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCNC(=O)C(C)(C)C 1611302041 DNZFPXLXBWELMX-HNNXBMFYSA-N 460.608 2.139 30 10 JEEE COC(=O)[C@H](O)C1CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccc(OC)cc2)CC1 1642341154 ICFJBQCNDJUUKR-JOCHJYFZSA-N 454.527 2.159 30 10 JEEE C#CCOCCNC(=O)NCCN1C(=O)S/C(=C\c2cccc(Br)c2)C1=O 1670940461 NIGIVARZYGFLSZ-QINSGFPZSA-N 452.330 2.434 30 10 JEEE C=CCS(=O)(=O)CCNC(=O)N1CCC(CO[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 1680909304 KMTCGBQVRSYEEQ-GOSISDBHSA-N 459.609 2.035 30 10 JEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)Cc1cnn(CC)c1 1689916259 DUUGPXOSDXQONB-UHFFFAOYSA-N 455.588 2.462 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCc1n[nH]c(C)n1 1690108158 QYXQMTSMJLROFA-KRWDZBQOSA-N 458.567 2.105 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCN2CCCC[C@@H]2CC)CC1 1690154690 WTPMFBGGZSUXGL-VABKMULXSA-N 486.661 2.232 30 10 JEEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1690170579 NHZWBEJONKLZSZ-MSOLQXFVSA-N 465.627 2.477 30 10 JEEE C#CCSCCn1c(N2CCN(c3nc(C)cs3)CC2)nnc1[C@]1(OCC)CCOC1 1690186462 QPPZWJKQLJWQCL-NRFANRHFSA-N 462.645 2.388 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(-n2nc(C)cc2C)nc1 1690190464 VXGKZVKOTWAUBL-FDDCHVKYSA-N 482.614 2.126 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2oc(CCC)nc2C)CC1 1690375263 FFOFBERILFCURN-GOSISDBHSA-N 464.592 2.065 30 10 JEEE C=CCOc1ccccc1Cn1c(-c2cccnc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1690682210 IAAITELBAUVZKP-UHFFFAOYSA-N 461.570 2.163 30 10 JEEE C=CCSCCn1c(COc2ccc(Br)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1690750258 DXPWYVSIKHQBJI-QGZVFWFLSA-N 496.431 2.490 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2CCOc2ncccc2F)c1 1705506980 NUXCKQAZGJVXEO-GOSISDBHSA-N 464.501 2.451 30 10 JEEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1705531265 DHQWAAHWAYRDKN-GOSISDBHSA-N 471.631 2.393 30 10 JEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CC[C@H](C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1705558726 GSNJWAAYEOGFGO-FPOVZHCZSA-N 469.611 2.335 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CC1(N(C)C)CCCCC1)[C@H]1CCS(=O)(=O)C1 1705564095 AAUZSGNLFLPZGE-PMACEKPBSA-N 463.648 2.063 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@H]1NC(=O)CC1(C)C 1705595967 NAQNKSAJDYNCLX-NRFANRHFSA-N 485.592 2.443 30 10 JEEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2Cc2cc(OC)ccc2OC)CC1 1705641031 NTFYUBXMYMJTPX-UHFFFAOYSA-N 452.584 2.455 30 10 JEEE C#CCN1CCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@@]2(O)CCN(C)C2)CC1 1705643513 IRVUVHIWWLCRER-JOCHJYFZSA-N 461.035 2.046 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2CCCN2C[C@H](C)O[C@H](C)C2)CC1 1705645774 DSGXGTTYSXOLOS-OYRHEFFESA-N 464.614 2.410 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CC(=O)N(C)Cc2ccccc2)CC1 1705646628 KQNGOVASJAMOTK-UHFFFAOYSA-N 474.565 2.471 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H]1CCCCS1(=O)=O 1705669135 DNDZSXVZUVGOPH-STZQEDGTSA-N 450.605 2.278 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCN([C@@H](C)c2nc(CC)no2)CC1 1705899239 MCIMGQQSRGUOOP-INIZCTEOSA-N 468.537 2.215 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)Cc2ccccc2C)CC1 1705932477 UTKPKNLPQUSKLW-UHFFFAOYSA-N 482.610 2.074 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc3cccnc23)nnc1N1CCCN(C(C)=O)CC1 1705932860 MEBAAZPZZBXYAL-UHFFFAOYSA-N 468.583 2.153 30 10 JEEE C=CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2cnccn2)CC1 1705947879 AHYGTCPGDJWPDU-UHFFFAOYSA-N 470.628 2.305 30 10 JEEE Cc1ccccc1OCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1 1707684253 GUALMQZJGBXNQY-NRFANRHFSA-N 488.614 2.129 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CCOC)CCCCC1 1722295134 JDWISTBHTNSRCY-RBUKOAKNSA-N 467.636 2.056 30 10 JEEE C#CCCCCn1c(-c2cnccn2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 1722314042 HGBYJZYNKXCDRE-NHCUHLMSSA-N 464.618 2.356 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCCOC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1722361353 HOXWOZVAFDHQSB-HXUWFJFHSA-N 488.610 2.166 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1c(F)cc(F)c(F)c1F)[C@H]1CCS(=O)(=O)C1 1722369159 ZFYYBPBUBFPRKR-STQMWFEESA-N 472.464 2.013 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCS(=O)(=O)C(C)(C)C 1722379257 NBNTZEKCYCVKSI-UHFFFAOYSA-N 450.568 2.417 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCN1CCCO[C@@H](C)C1 1722430201 APVIKWYXDSPPEW-IBGZPJMESA-N 463.586 2.152 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CSCCS2)CC1 1722441970 PBPDZHAWUZUPPO-FQEVSTJZSA-N 454.625 2.333 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1722495150 PZEHTRDJAJUYMK-QRQLOZEOSA-N 477.512 2.479 30 10 JEEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2nc(C)cc(OCC)n2)CC1 1722525570 DPKAFMCQELSDPG-ICSRJNTNSA-N 457.579 2.402 30 10 JEEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1722583861 RDGJOHHLAGEIFJ-FIKGOQFSSA-N 455.625 2.265 30 10 JEEE C=CCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 1722686854 YYIRNKAJTIPKNM-QGZVFWFLSA-N 458.588 2.489 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1722716438 VBYSJDOIQQFJNO-HZPDHXFCSA-N 499.435 2.241 30 10 JEEE CC(C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CN2CCOCC2)CC1 1723085797 GLWYOPCBSLZRKQ-UHFFFAOYSA-N 465.602 2.138 30 10 JEEE COCCC1(Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3cc(C#N)ccn3)CC2)CCC1 1730636666 COAMQOKAZLCRBJ-UHFFFAOYSA-N 466.590 2.216 30 10 JEEE C#CCCCCn1c(COc2ccccc2CC)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1740580431 XTMJOVIVFYEWMP-UHFFFAOYSA-N 478.597 2.150 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccc(Cl)cc1OC)[C@@H]1CCS(=O)(=O)C1 1740619985 BIDPANVRVKTQLZ-GOSISDBHSA-N 474.974 2.016 30 10 JEEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 1740625916 UBDFTAQSMWABHW-PMACEKPBSA-N 458.584 2.280 30 10 JEEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1Cc1snnc1C)[C@H]1CCS(=O)(=O)C1 1740628847 VLHCXQPOVXWTLV-INIZCTEOSA-N 493.014 2.345 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)c(Br)c1 1740686157 OYWANJFOMWNVHS-MRXNPFEDSA-N 497.415 2.086 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCCOCC)CC1 1740704043 IZWSXZIWJZKNRH-UHFFFAOYSA-N 453.543 2.109 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2CCCCN2CCC[C@@H]2CO)CC1 1740704451 QCAFNRWSLRKVFT-HSZRJFAPSA-N 478.641 2.456 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2Cc2nnc(C)s2)CC1 1740706773 CBWNJRLTJYVPBD-UHFFFAOYSA-N 453.547 2.182 30 10 JEEE C=C(C)COCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CC(=O)N(C)C[C@@H]1C 1740793822 YFEPQTWMCSAQQU-SFHVURJKSA-N 479.585 2.496 30 10 JEEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1740885903 QLJSKJFFIHXMPC-RTBURBONSA-N 452.563 2.142 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CN(Cc2ccccc2)CCCO1 1740899415 MJBXIBKSGWQZBI-NHCUHLMSSA-N 459.616 2.094 30 10 JEEE C=CCn1c(COc2ccc(OC)cc2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1740948780 FPVMLEKOQUEYCL-PGRDOPGGSA-N 454.575 2.041 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1740982011 RVELAFUVFHOFOB-LSJZCYCUSA-N 484.507 2.455 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCS[C@H](CC)C1 1740992410 PHZZXCCJPHTTPH-LJQANCHMSA-N 491.687 2.385 30 10 JEEE C=CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CCC(OCC(N)=O)CC1 1740996444 BZCFQSJFOJMCOU-UHFFFAOYSA-N 483.436 2.436 30 10 JEEE CCc1nnc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@H](NC(C)=O)C2)s1 1744518382 BVYYOXIZQZGHSU-KRWDZBQOSA-N 466.571 2.296 30 10 JEEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1Cc1ccc(OCC(F)(F)F)nc1 1744688668 AIRSDZIFFSBPFI-UHFFFAOYSA-N 489.506 2.465 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@]2(N(C)C)CCSC2)c1 1748690154 NGDAOOBAHUZGAO-RUZDIDTESA-N 495.653 2.008 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H](C1CC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1748802879 SOWMPBIVGRUPLA-FGZHOGPDSA-N 498.653 2.114 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1CCCOC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1748819655 RBGKXBLQYJTRHU-QGZVFWFLSA-N 486.516 2.431 30 10 JEEE C#CCN(c1nnc(COCC)n1C[C@@H](c1ccccc1)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1748823823 CABYCWIZLSSIKK-VXKWHMMOSA-N 471.627 2.278 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1CC1CN(C(=O)OC(C)(C)C)C1 1748868844 KIPACENMPDJKQX-XMMPIXPASA-N 457.575 2.260 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCCCN2C[C@@H](C)C[C@@H](C)C2)CC1 1748977933 FMVPPLKLWFZUKW-ZEVJAHDQSA-N 472.678 2.444 30 10 JEEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCCN(Cc2noc(C)n2)CC1 1749085644 CKMIWCAIRVUUMM-HNNXBMFYSA-N 484.399 2.314 30 10 JEEE C=C(C)COCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1749231079 CJZZPFLZJSWREZ-UHFFFAOYSA-N 470.593 2.345 30 10 JEEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)NCc2ccc(F)cc2)CC1 1749251557 GUVXXQHCEWZXQD-OAHLLOKOSA-N 499.012 2.313 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CCC[C@@H](n2cncn2)C1 1749664542 RDUQOMSVSWGSBN-OAHLLOKOSA-N 471.363 2.443 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(c2cccnn2)CC1 1749726821 GBEKXEPSIBBKIN-UHFFFAOYSA-N 473.990 2.316 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@@H](OC)C(C)C)c1 1760127398 YBKPTAKIEZUXCG-HXUWFJFHSA-N 452.559 2.241 30 10 JEEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1C[C@@H](C)COC)[C@H]1CCS(=O)(=O)C1 1760192529 VJHCQGXLBRYJDE-AEFFLSMTSA-N 466.991 2.420 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2Cc2cnn(C)c2C)CC1 1760270932 FYHWTRXUIREADP-UHFFFAOYSA-N 461.570 2.222 30 10 JEEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1760276153 UZKXYHQDGKGFFG-UHFFFAOYSA-N 458.613 2.091 30 10 JEEE C#CCSCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCC(NS(C)(=O)=O)CC1 1760278644 CBHCNFURLFVFOP-UHFFFAOYSA-N 472.640 2.321 30 10 JEEE C=C(C)COCCn1c([C@@H]2COc3ccccc3O2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1760357545 KTYVYEBECMQDJK-PXNSSMCTSA-N 462.572 2.397 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCC2 1760517215 GPKCGZUNFSCURF-VQTJNVASSA-N 487.626 2.435 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1760518124 JMPVYZZOXCDHOU-UHFFFAOYSA-N 484.601 2.348 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1760537989 VDVJDFYSRPWZJP-PKOBYXMFSA-N 491.614 2.025 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@](C)(c2ccccc2)C1 1760557315 HMILIXMMJDNCMU-DEOSSOPVSA-N 484.626 2.493 30 10 JEEE C=CCS(=O)(=O)CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCN(C)C(=O)[C@@H]1C 1760558139 HGMXVNHXYCJWEB-HNNXBMFYSA-N 484.047 2.492 30 10 JEEE CC(C)(C)C(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1760717560 CNDDXLFGYHLSRJ-LEWJYISDSA-N 482.585 2.275 30 10 JEEE C[C@H]1OCC[C@@]1(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(CC(=O)N(C)C)CC1 1763267792 BKOYQXNSTQUWAN-MZNJEOGPSA-N 452.559 2.051 30 10 JEEE CCCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)cc1OC 1764610297 FADYMWLVZCVFJT-VGOFRKELSA-N 477.562 2.468 30 10 JEEE CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCS(=O)(=O)C2)C1 1766183594 DYZJGPGQTKPCOS-TZIWHRDSSA-N 484.626 2.384 30 10 JEEE CCS(=O)(=O)CCN(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1ncccc1C 1766679118 HHMHKQMJBMLDKK-UHFFFAOYSA-N 454.556 2.351 30 10 JEEE C=CCN(CC=C)C(=O)[C@H](CC)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 1862250827 CHCYOCRUGYACHG-IBGZPJMESA-N 469.991 2.070 30 10 JEEE Nc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(S(N)(=O)=O)cc3)[C@H]2c2ccc(O)cc2)c1 1862555806 IPBCBTSYXLSAMW-NRFANRHFSA-N 479.514 2.400 30 10 JEEE COc1cccc(/C=N/n2c(CNC(C)=O)nnc2SCC(N)=O)c1OCc1cccc(C)c1 1874432600 NYAMIPDYJJYTBB-KBKYJPHKSA-N 482.566 2.270 30 10 JEEE CC(C)(C)OC(=O)N1CC2(C1)CN(S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)C2 2255953879 POPFOPHHWSLBTI-UHFFFAOYSA-N 470.422 2.289 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H](O)CNC(=O)c1cccc(Cl)c1B1OC(C)(C)C(C)(C)O1 2256090884 DROKMHDGUUNDFV-ZDUSSCGKSA-N 454.760 2.255 30 10 JEEE C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1csc(B2OC(C)(C)C(C)(C)O2)c1 2256621133 QTAMBWHRRGVEKJ-BBRMVZONSA-N 454.398 2.280 30 10 JEEE C=CCN(CC(=O)N1C[C@H]2CC[C@@](C(=O)O)(C1)N2C(=O)OC(C)(C)C)C(=O)OC(C)(C)C 2259066160 TWADEHFFAVXICH-QRQCRPRQSA-N 453.536 2.475 30 10 JEEE CC(C)(C)OC(=O)N[C@@]1(C)CC[C@@]1(C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2261180405 WLGGMUHIYFKJJU-PMACEKPBSA-N 452.386 2.281 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H](NC(=O)C(F)(F)F)CC[C@@H]1C 2267121960 FKMVUZLYEONSSL-JQWIXIFHSA-N 461.315 2.422 30 10 JEEE CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)C(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2267161626 DUSSUUQKVVGFIW-QHCPKHFHSA-N 457.405 2.151 30 10 JEEE COCC[C@@H](CNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2267466721 GDTINZZEPZNTES-AWEZNQCLSA-N 490.453 2.255 30 10 JEEE CC(C)(C)OC(=O)N1CCC(CO)(NC(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)CC1 2267483633 WCTXNPSEOYYULO-UHFFFAOYSA-N 450.341 2.071 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)Nc1ccc(Cl)cc1B1OC(C)(C)C(C)(C)O1 2268608161 RXTLAQVFKUAQIR-HNNXBMFYSA-N 467.759 2.346 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)C(C)(C)[C@H]2C1 2281927319 YFHCEQMZSAJSBQ-ZBFHGGJFSA-N 460.384 2.426 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2[C@H]3CCCN(C(=O)OC(C)(C)C)[C@H]32)n1 2282588132 DIXUQIUWBRNRLO-QGPMSJSTSA-N 460.384 2.330 30 10 JEEE Cn1cc(C(=O)N2C[C@@H]3CN(Cc4ccccc4)C[C@@]3(C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2282598471 LPEBWBNDEBULBC-DFBJGRDBSA-N 450.392 2.313 30 10 JEEE Cc1nc(S(=O)(=O)N(Cc2ccccc2)[C@@H](C)C(C)(C)O)c(B2OC(C)(C)C(C)(C)O2)n1C 2282872331 VBXVZYVDXAYCSP-INIZCTEOSA-N 477.436 2.378 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CC1(C)C 2283072042 LTMPMTPVBVGQBB-OAHLLOKOSA-N 460.384 2.399 30 10 JEEE COCCn1c(O)c(C(=O)CN2C(=O)C(=Cc3ccccc3)SC2=S)c(C)c(C#N)c1=O 2314625541 DSZCMCWWZQKCKI-UHFFFAOYSA-N 469.544 2.465 30 10 JEEE CCc1cccc(OC[C@H](O)Cn2c(NN=Cc3ccc(C)cc3)nc3c2c(=O)n(C)c(=O)n3C)c1 2328613687 SVPPOMASLNETJT-HXUWFJFHSA-N 490.564 2.190 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC12CCC2 2362355871 MQIIFUZECWWGFC-OAHLLOKOSA-N 460.384 2.239 30 10 JEEE CS(=O)(=O)C1(C#C[C@H](NN)c2cc(Br)ccc2I)CC1 2367842524 LASXWLMNSRDOHW-LBPRGKRZSA-N 469.142 2.139 30 10 JEEE CCN1CCN(C(=O)/C(C#N)=c2/s/c(=C/c3ccc(Cl)cc3)c(=O)n2-c2ccccc2)CC1 33482459 XGNGWXNPWRLTLS-YVTGISGXSA-N 479.005 2.220 30 10 JEEE COC(=O)c1[nH]c(C)c(/C(O)=C2/C(=O)C(=O)N(CCN(C)C)[C@H]2c2cccc([N+](=O)[O-])c2)c1C 102541058 ZDSAHPPZUNMTES-BWHWTHMTSA-N 470.482 2.310 30 10 JEEE C=CCN1[C@H](CSCC(F)(F)F)Nc2cc(Cl)c(S(N)(=O)=O)cc2S1(=O)=O 247988517 JSEFQDBDJGPCIW-GFCCVEGCSA-N 465.928 2.211 30 10 JEEE C#CCn1nc(CNC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)c2ccccc2c1=O 585170367 ANHYTHJSHFODQG-UHFFFAOYSA-N 464.547 2.134 30 10 JEEE C=CCn1nc(C)c(C=NNc2nnc(SCC(=O)Nc3c(F)cccc3F)n2N)c1C 1084332951 WIHRFZJPTVTMCU-UHFFFAOYSA-N 461.502 2.446 30 10 JEEE Cc1noc(C)c1S(=O)(=O)NC1(C(=O)N2CCC(C#N)(c3ccccn3)CC2)CCCC1 1139101761 ASVHSPDUMKGMLO-UHFFFAOYSA-N 457.556 2.362 30 10 JEEE C=CC[C@]1(C(=O)N2CCN(c3nc(N)nc(C4CC4)n3)CC2)CCCN1C(=O)OC(C)(C)C 1179383372 CUMKSKRQHYNWDM-HSZRJFAPSA-N 457.579 2.326 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CCN1CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1286392719 BWEPBPCVBRNAKI-IFMALSPDSA-N 496.637 2.087 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CC(F)(F)Br)CC1 1286476110 OJENTJQWQWARJI-UHFFFAOYSA-N 454.275 2.417 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCCN2CCC(C)CC2)CC1 1286483950 AWXXEXMWKBYTJZ-UHFFFAOYSA-N 469.659 2.147 30 10 JEEE C#CCSCCn1c(N2CCC[C@@H](N3CCCC3=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1286512676 MGSHEDCWCSHAJU-XXBNENTESA-N 461.632 2.276 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@](C)(O)CCOC 1286525649 LEEJPZUSHLSIOM-RPWUZVMVSA-N 453.591 2.232 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N(CCNC(C)=O)Cc1ccsc1 1286552710 APMUTCVDVUYOFL-SBHAEUEKSA-N 472.615 2.415 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCN(CC(=O)NCC)CC1 1286564323 GBFOTQYWPGYNHC-NTKDMRAZSA-N 486.592 2.236 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](Nc2ccccc2)C1 1286592406 CZBGLTHGDXMVJF-PMACEKPBSA-N 460.604 2.268 30 10 JEEE C=C(C)COCCn1c(N2CCN(c3ccnc(C)n3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1286614484 UEXJPBMOUDIVHY-XMMPIXPASA-N 471.606 2.336 30 10 JEEE C=CCCOCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1286707653 HWUREDYZRDXLOQ-UHFFFAOYSA-N 451.531 2.133 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CC(=O)N(C)[C@H](C)C1 1286782393 STKKSXHRTMJYKQ-GFCCVEGCSA-N 481.782 2.330 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC[C@H](C(=O)OC)C1 1286786385 DDZKEXAYKMRZLZ-KRWDZBQOSA-N 450.499 2.292 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCc1nc2c(s1)CCCC2 1286959811 HZVHRLHULWRTGY-LSDHHAIUSA-N 465.649 2.452 30 10 JEEE Cc1ncsc1CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1289184079 HFPUERWGVSNYEV-SFHVURJKSA-N 472.596 2.360 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2c(Cl)cccc2C1 1300411154 RDUAZWFBIYAJDX-IBGZPJMESA-N 463.991 2.241 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1CCN1CCCC[C@@H]1CC)[C@@H]1CCS(=O)(=O)C1 1300487939 NOAXUQKJYNBJOT-VQTJNVASSA-N 458.632 2.175 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1CCCCS1(=O)=O 1300535611 KOFUULAICBQUBO-PMACEKPBSA-N 489.642 2.433 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccccc1)N1CCCC1 1300578042 GCKFAXWLUMIVJA-DHIUTWEWSA-N 465.623 2.480 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@]2(N(C)C)CCSC2)CC1 1300715861 GQAAVOKAWOECRR-RUZDIDTESA-N 482.654 2.357 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2CCCCN2CCC[C@H]2CO)CC1 1300722848 MKZWIUPXNSRCBW-QFIPXVFZSA-N 456.635 2.138 30 10 JEEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCCN(C(=O)C(C)C)CC1 1300770558 USFIDXRZLQUQDW-UHFFFAOYSA-N 474.656 2.331 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@@H]1C 1300892760 VFWFYZSOAVWNHG-KPLVRAHFSA-N 450.543 2.377 30 10 JEEE C=C(C)COCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@]2(CCOC2)C1 1300975549 WUUCURLVZCOFKO-HSZRJFAPSA-N 475.615 2.405 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)C[C@@H](C)c1nccs1 1301484452 GYTQGBMBFIUAGP-OAHLLOKOSA-N 474.612 2.347 30 10 JEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCCN(CC(F)(F)F)CC1 1301507927 BIELIWUQHDQQCK-UHFFFAOYSA-N 457.526 2.010 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1c1ccc(C)cc1 1301569081 PFKKJCQCAGZXTG-IEBWSBKVSA-N 481.644 2.139 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1301569251 UJBKTUOSSVIZCA-OPAMFIHVSA-N 479.578 2.120 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CCN(CCOC)[C@H](C)C1 1301577132 FMORCJXIHGJNIN-QGZVFWFLSA-N 468.023 2.356 30 10 JEEE COC1(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CC(=O)N2CCOCC2)CCCCC1 1315269881 DYYVFAIUDKRPAA-UHFFFAOYSA-N 452.559 2.461 30 10 JEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(c2nccnc2C)CC1 1358922294 AHXGJGDSUMNIPQ-UHFFFAOYSA-N 494.625 2.034 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1C[C@@H](CC)OC)[C@H]1CCS(=O)(=O)C1 1358957463 UXWZEWQXJQWCOP-JKSUJKDBSA-N 484.420 2.098 30 10 JEEE C#CCN(c1nnc(-c2cccc3cccnc23)n1C[C@@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1358959693 NYEWGJJFSQIDKZ-IEBWSBKVSA-N 452.584 2.070 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1CCc1cc(C)cc(C)c1)[C@@H]1CCS(=O)(=O)C1 1358960969 PIWZCQOXBQIROQ-HXUWFJFHSA-N 450.568 2.221 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCS(=O)(=O)CC)CC1 1359042365 CTDJALAVTMMZOM-UHFFFAOYSA-N 494.017 2.008 30 10 JEEE C=C(C)Cn1c(CCOc2ccccc2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1359123395 GNDZRCNGCYDWMN-OAQYLSRUSA-N 475.615 2.107 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1359331132 OIJPYNXKGXCRQP-IBGZPJMESA-N 474.631 2.238 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1CC1(O)CCCCCC1 1360652500 FZFJPVVWCWMTBY-KRWDZBQOSA-N 460.604 2.482 30 10 JEEE CCOC(=O)N[C@H](CC(C)C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)CC#N 1502516598 FBOAPAHHLKGKGX-IXDOHACOSA-N 454.597 2.079 30 10 JEEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCSCc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1507633549 STJYLBLKEANNIX-UXHICEINSA-N 487.651 2.098 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCSCC(F)(F)F)CC1 1507734340 VQNOGVHDWQNLKH-UHFFFAOYSA-N 495.531 2.187 30 10 JEEE C=C(Br)Cn1c(CCOc2ccccc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1507790081 WDQMXGCSGSKAFT-KRWDZBQOSA-N 489.374 2.281 30 10 JEEE C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1508049841 JCIWSTIDTYBVQC-SFHVURJKSA-N 478.439 2.453 30 10 JEEE C=CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1508060935 GZLXQFMEZBAFLU-ICSRJNTNSA-N 468.606 2.006 30 10 JEEE C=CCOc1ccc(Cn2c(-c3cnccn3)nnc2N(CC)[C@@H]2CCS(=O)(=O)C2)cc1 1508100110 DPSKADRQBRTPGO-GOSISDBHSA-N 454.556 2.362 30 10 JEEE C[C@H](CN1CCCC1)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1510082375 HIVNWFBKAUODNX-CTNGQTDRSA-N 485.658 2.314 30 10 JEEE CCOC1CC(CNC(=O)COc2ccc(C#N)c(Br)c2)(N2CCOCC2)C1 1520029018 GCNBAESRSZDDQN-UHFFFAOYSA-N 452.349 2.086 30 10 JEEE C#CCCCCn1c(CCc2ccccc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1539078042 RHHPYULLBHZZSJ-UHFFFAOYSA-N 462.598 2.138 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1CCOC[C@H]1OC 1539289884 ABSRJZVDWXLKRQ-TZIWHRDSSA-N 469.973 2.376 30 10 JEEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)c1nc(-c2ccccc2)no1 1539344005 VEQOPZKZSAJLRR-CVEARBPZSA-N 457.560 2.202 30 10 JEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC(NC(=O)NC2CCCCC2)CC1 1539525932 GHXZNVHLGVXZRV-UHFFFAOYSA-N 487.674 2.368 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](NC(C)=O)C1 1539618879 BOKBCWRQWXKWSM-SJBKTWHCSA-N 487.626 2.435 30 10 JEEE CCC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1)OC 1546908466 HKGGVHAVWSKJAT-SFTDATJTSA-N 452.559 2.459 30 10 JEEE CCNC(=O)C(C)(C)Cn1c(-c2cnccn2)nnc1N1CCN(c2ccccc2C#N)CC1 1547745428 CALGFKWQTZGDGX-UHFFFAOYSA-N 459.558 2.096 30 10 JEEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1548314353 CCDBAUWQFSDRCS-CZUORRHYSA-N 457.478 2.407 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1587557039 YKLKMFWBHDHHPI-MSOLQXFVSA-N 460.542 2.052 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1c(CC)nn(C)c1OC 1587579834 KPLOPHHPLJMXPB-MRXNPFEDSA-N 485.614 2.006 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1CCc1nccs1)[C@H]1CCS(=O)(=O)C1 1588041601 YKURPSFEVAVCPP-KRWDZBQOSA-N 487.607 2.288 30 10 JEEE C#CCN(c1nnc(CCOc2ccccc2)n1CCOC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1588069642 RPSVZZXEHNENPN-LJQANCHMSA-N 460.600 2.341 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2CC[C@@H]2CCO[C@H](C)C2)CC1 1588885288 URRLTEOWQAEJIM-RTBURBONSA-N 472.634 2.368 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1594497317 FMJKYVYATRDQOO-VQTJNVASSA-N 465.664 2.331 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H](n2cncn2)C1 1595821471 BVNXGUBRBZZHTD-SFHVURJKSA-N 475.550 2.030 30 10 JEEE C#CCNC(=O)C[C@@H]1c2nc(NC(=O)OCC=C)sc2C[C@H]2[C@]1(C)CC[C@H](O)[C@@]2(C)CO 1616129922 NOESKNAJJDPGLE-IATNUCJSSA-N 461.584 2.433 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCn3c(Cc4ccccc4)nnc3C2)ccc1F 1617780492 OEYMITSYAIOWDZ-UHFFFAOYSA-N 455.515 2.128 30 10 JEEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)[C@@H]1CCC(=O)N1Cc1ccc(Br)cc1 1630764548 HRVSQAIXZJJCEM-KRWDZBQOSA-N 459.348 2.208 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@H](OCC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C1 1633661966 BPELWIPGZQOXCZ-ULQDDVLXSA-N 452.552 2.278 30 10 JEEE N#C[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)CCNS(=O)(=O)c2cccs2)CC1 1634564306 AOLLXAGHXFHUPJ-KRWDZBQOSA-N 452.989 2.479 30 10 JEEE C#CCN1CCN(C(=O)CSc2nnc(N3C[C@@H](C)C[C@H](C)C3)n2Cc2ccco2)CC1 1640822923 GIOLUSHEQQOYPW-OALUTQOASA-N 456.616 2.271 30 10 JEEE CCN(C)C(=O)OC[C@@H]1CCCCN1CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 1658552575 DFODDCYJGYZPLW-VXKWHMMOSA-N 459.566 2.477 30 10 JEEE C#CCSCCn1c(N2CCC[C@H](NC(=O)OCC)C2)nnc1[C@@]1(OCC)CCOC1 1690186091 LIDMYKQYMMGKOT-LAUBAEHRSA-N 451.593 2.012 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCNC(=O)OC(C)(C)C 1690206606 VTQCPKRIWJQSST-HRAATJIYSA-N 451.593 2.087 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCOC[C@@H](C2CCC2)C1 1690238917 PDXJDPMOSDRKKE-LMCOJAPRSA-N 467.636 2.122 30 10 JEEE C=C(C)COCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(C(=O)NC)CC1 1690311255 GLIIFTWMEIZYRJ-IBGZPJMESA-N 491.637 2.447 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(C(C)C)CC1 1690433635 YIXBLWCAQQQQAJ-LJQANCHMSA-N 468.668 2.134 30 10 JEEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1690437740 NWTQWAODLRAXQZ-UHFFFAOYSA-N 482.633 2.383 30 10 JEEE C=CCCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1690488390 OPIWTMQAFKCQHB-UHFFFAOYSA-N 457.604 2.391 30 10 JEEE C=CCCOCCn1c(-c2cc3ccccc3o2)nnc1N1CCN(CC(=O)N(C)C)CC1 1690499863 CNGGPAJZZGJQDE-UHFFFAOYSA-N 452.559 2.494 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CCC[C@H](CC(N)=O)C1 1690663480 XZVYUUQMVVWKEY-GFCCVEGCSA-N 467.393 2.163 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1690672457 SBSIDSFAESPTEP-IBGZPJMESA-N 484.557 2.150 30 10 JEEE C=CCSCCn1c(N2CCC[C@@H](S(C)(=O)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1690752755 PTTBVIGSTCKLKW-XLIONFOSSA-N 458.650 2.251 30 10 JEEE C=CCSCCn1c(N2CCC[C@@H](S(C)(=O)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1690752756 PTTBVIGSTCKLKW-YLJYHZDGSA-N 458.650 2.251 30 10 JEEE CC(=O)NC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cscc2C)CCO1 1690965543 FXHKGJRFXZZFFV-OAQYLSRUSA-N 466.567 2.488 30 10 JEEE CC(C)Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1692213274 HRGUSVDBHWIPGQ-LJQANCHMSA-N 492.550 2.333 30 10 JEEE CCn1cccc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(CC(=O)NC)CC2)c1=O 1695790392 FEUVNPFVVYTYFM-UHFFFAOYSA-N 459.554 2.399 30 10 JEEE COC(=O)N1CCC(Cn2c(CCc3ccc(OC)cc3)nnc2N2CCO[C@@H](C#N)C2)CC1 1697072977 HTLKJDRPYCRHBL-NRFANRHFSA-N 468.558 2.279 30 10 JEEE N#C[C@]1(F)CCN(c2nnc(CN3CCCC3=O)n2CCc2cc(C(F)(F)F)ccn2)C1 1698485711 BHAWZGUPGIJRHW-LJQANCHMSA-N 451.428 2.499 30 10 JEEE N#Cc1ccc(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@H]2CCCCS2(=O)=O)cc1 1698488608 GMGZPADTGIXMKW-GHTZIAJQSA-N 458.519 2.138 30 10 JEEE C#CCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1705528988 ZLSVXHLSVOKQHB-HKUYNNGSSA-N 453.543 2.455 30 10 JEEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1CCN1CCOC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1705561696 SJZDNGTYBXIWJI-AKIFATBCSA-N 485.654 2.167 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1([S@@](C)=O)CC1 1705582290 XYNYOKXTMFVGGY-HYHKQLJDSA-N 459.616 2.377 30 10 JEEE C=C(Br)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(CO)CC1 1705683738 AZELZELRXRLAQG-UHFFFAOYSA-N 484.420 2.313 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(O)CCN(C)C1 1705716589 OVYZQSOHZYQPLK-WZONZLPQSA-N 464.611 2.056 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CCC(=O)N(CC)CC)CC1 1705725841 UVHFUUFRETVHKP-HXUWFJFHSA-N 496.678 2.052 30 10 JEEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 1705729406 WVRNQGSETTYFTH-UHFFFAOYSA-N 454.575 2.033 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@H](n2cncn2)C1 1705906505 HPPQTZMPOWOUSW-IBGZPJMESA-N 450.547 2.209 30 10 JEEE C#CCN(C)c1nnc(-c2ccc(OC)cc2OC)n1CC1(N2CCOCC2)CC(OCC)C1 1722349513 QJAJXTGINYBMMF-UHFFFAOYSA-N 469.586 2.302 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CCN(C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1722365050 KELDWFNZYAMIJV-JOCHJYFZSA-N 464.595 2.027 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CCN1CCCC(C)(C)C1)[C@H]1CCS(=O)(=O)C1 1722366044 OFNLURIQPDTWPM-NRFANRHFSA-N 470.643 2.013 30 10 JEEE C#CCN(c1nnc(CC2CCCC2)n1CCC(=O)NCc1ccccc1)[C@H]1CCS(=O)(=O)C1 1722372533 YRODAXQHSGEKHY-QFIPXVFZSA-N 483.638 2.344 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H]2CCCN2CC)CC1 1722442778 BYLMLFHIXBJKDI-FQEVSTJZSA-N 480.613 2.412 30 10 JEEE C=C(Br)Cn1c(N(CC)[C@@H]2CCS(=O)(=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1722489915 VCGMFEBJLUYUOK-CRAIPNDOSA-N 477.425 2.241 30 10 JEEE C=CCCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1722600821 BLSRWBHVESINJN-MRXNPFEDSA-N 458.950 2.110 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(N(C)C(=O)OCC)CC1 1722699888 OLPMNIIVLNHLJZ-UHFFFAOYSA-N 458.538 2.367 30 10 JEEE C=CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1722733438 AOUFBCWLEKPKHG-UHFFFAOYSA-N 451.600 2.137 30 10 JEEE Cc1cccc([C@H](C)Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@H](C)C#N)c1 1724169147 DXAVPOOBWHXQKW-QWFCFKBJSA-N 460.604 2.319 30 10 JEEE CCCNC(=O)CCn1c(-c2ccccc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1728189687 CVEUQMNLGGYZIC-GOSISDBHSA-N 459.558 2.238 30 10 JEEE C#CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(C)=O)CC1 1740576129 XYTBFOSAVVWBOS-LJQANCHMSA-N 460.579 2.059 30 10 JEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1740581476 YRJMBLBCNCCZQP-INIZCTEOSA-N 476.006 2.153 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1CCSCCCO)[C@@H]1CCS(=O)(=O)C1 1740618937 DOMCNTXFHZYAAM-MRXNPFEDSA-N 487.022 2.480 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H](CC)Oc1ccccc1F)[C@H]1CCS(=O)(=O)C1 1740621743 OQHXZGZMAABYMS-RBUKOAKNSA-N 486.573 2.302 30 10 JEEE C#CCN(c1nnc(CCOc2ccccc2)n1C[C@@](C)(O)c1ccco1)[C@@H]1CCS(=O)(=O)C1 1740626018 UVRVLLKAMCSUQI-NTKDMRAZSA-N 484.578 2.027 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CCCN2CCCC2)CC1 1740697402 CNPRQUXIFMBFCY-UHFFFAOYSA-N 468.602 2.212 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2Cc2ccc(OC)cc2OC)CC1 1740703688 BBIFBYUHPZENIT-UHFFFAOYSA-N 460.538 2.371 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(OC)c(OC)c2OC)CC1 1740705671 LBLIRILHFUVFMP-FQEVSTJZSA-N 497.596 2.212 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCC2(O)CCOCC2)CC1 1740707634 KDZVXYQFWRRKSD-NHCUHLMSSA-N 487.645 2.094 30 10 JEEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1740716552 UANFABPGEQUZBE-QGZVFWFLSA-N 472.615 2.361 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2C[C@H](C)O[C@H](COC)C2)nnc1[C@@]1(OCC)CCOC1 1740768015 SPCRGYVLDREZLJ-WMZOXILCSA-N 450.580 2.152 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCOCCS(C)(=O)=O)CC1 1740839010 DOEAQERHIBZVCI-FQEVSTJZSA-N 462.572 2.254 30 10 JEEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1740843114 YCGLOXVNHBWLJM-UHFFFAOYSA-N 466.652 2.367 30 10 JEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(-c2ccsc2)nc1 1740899559 NPDGEZYFRKEPLW-LJQANCHMSA-N 474.612 2.405 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1740962261 XKVBGLSDIHTZPF-KRWDZBQOSA-N 455.563 2.012 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(OC)cc2F)C1 1740980966 NFHBYZXDKHGBKZ-AEFFLSMTSA-N 450.536 2.158 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 1740991153 PKJXFMXRBAEIDX-PZJWPPBQSA-N 475.663 2.399 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(C[S@@](C)=O)cc1 1741123485 DEESDZBJPWNBEU-MWOWJKGTSA-N 451.556 2.448 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCC(F)(F)F)nc1 1741130981 CRUFQOBMBVWRIH-UKRRQHHQSA-N 472.493 2.160 30 10 JEEE CC(C)OC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCSC2)CCO1 1741745640 CXKQQGHNTIRCHR-NZQKXSOJSA-N 473.599 2.227 30 10 JEEE CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCCO2)CC1 1743906136 HNARMCNFSRNZMG-DENIHFKCSA-N 465.602 2.423 30 10 JEEE CCOC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1746607399 AWTDETWVPMXAAV-SFHVURJKSA-N 490.605 2.333 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)(C)c1ccc(OC)c(OC)c1 1748639312 FNSSHKJNOSOCBQ-HZPDHXFCSA-N 463.604 2.341 30 10 JEEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1748763762 ADDGRXXEKHLCSO-GGUMNFRJSA-N 456.591 2.425 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CCN1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 1748808313 JNZULKWDHALHSB-HXUWFJFHSA-N 460.003 2.487 30 10 JEEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1CCNC(=O)c1cccc(C)c1 1748934615 BIHOBDFBHIJUTJ-UHFFFAOYSA-N 450.568 2.468 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1Cc1cccn(CC)c1=O 1748950802 OSKLKIBHSVIFCI-UHFFFAOYSA-N 473.375 2.362 30 10 JEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@](C)(O)c1cc(C)oc1C 1748961242 YUWLIPSOIJAQDL-QHCPKHFHSA-N 455.515 2.209 30 10 JEEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1748994461 IKQFMAPCLNNGCJ-HSZRJFAPSA-N 464.614 2.488 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2Cc2cccnc2N2CCOCC2)CC1 1749015635 ZSNKSERILXCUSU-UHFFFAOYSA-N 479.629 2.112 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1749019680 DDGILXHOGDSQLG-QHCPKHFHSA-N 452.584 2.373 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](C(=O)NC)C1 1749135035 BKKSNJMALBMKRB-UWVAXJGDSA-N 472.615 2.213 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1749650934 JRUKWQXJPYSPMY-NZSAHSFTSA-N 472.977 2.025 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2coc(-c3ccccc3)n2)C1 1749699047 YYFCWNLJKSKFLI-APWZRJJASA-N 472.571 2.373 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C(C)(C)O)cc2)C1 1749713634 VXFDXXHTPKBQQU-AZUAARDMSA-N 460.600 2.237 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1749724503 JXGHMIDFIYBCEO-QGZVFWFLSA-N 491.570 2.228 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C(F)(F)F)c1 1750075662 HESLGBUDYDUNOL-YOEHRIQHSA-N 486.520 2.274 30 10 JEEE CC(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1750828343 FROJXRALDIRAMF-UHFFFAOYSA-N 451.575 2.129 30 10 JEEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1ccc(NC(C)=O)nc1 1760176247 DEQYQNHGIICYRS-UHFFFAOYSA-N 472.597 2.114 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@]1(N(C)C)CCSC1 1760241381 YFBBSKZAYALREL-CVDCTZTESA-N 456.591 2.445 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H](C)N(C)C2CC2)CC1 1760254592 BUZUGKPULCNQLK-MRXNPFEDSA-N 460.424 2.284 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H](c2cccc(OC)c2)N(C)C)CC1 1760256735 JPXWGHHLZMXVSS-SHQCIBLASA-N 496.656 2.385 30 10 JEEE C=CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@]2(CCC(=O)N2)C1 1760440634 NOWCNGOOUIEVFC-UZUQRXQVSA-N 460.579 2.412 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@H](C2CCOCC2)C1 1760515796 ZXOUZCHQAKHKOH-IBGZPJMESA-N 487.004 2.417 30 10 JEEE C=CCOc1ccc(Cn2c([C@H]3CCCCO3)nnc2N2CCN(C(=O)C(=O)NC(C)C)CC2)cc1 1760529340 CYBHSDACNBOXGI-JOCHJYFZSA-N 496.612 2.306 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@]2(N(C)C)CCSC2)C1 1760538933 WULCEJHNSVZMAJ-BVYCBKJFSA-N 451.637 2.149 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@]2(N(C)C)CCC[C@@H](C)C2)C1 1760542165 DRJKXQCFPLDSSW-GLHSZLCASA-N 465.664 2.472 30 10 JEEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@](C)(OC)CC1 1760557806 WSRKMRUCISGUAU-NRFANRHFSA-N 481.644 2.266 30 10 JEEE C=CCOc1ccccc1[C@H]1C(C(=O)NCCN2CCOCC2)=C(N)Oc2c1c(C)nn2CCC 1864319046 LMOXKCSKOGASEM-JOCHJYFZSA-N 481.597 2.309 30 10 JEEE CCC[C@H](NC(=O)c1ccc2c(c1)C(=O)N([C@@H](C)C(=O)O)C2=O)C(=O)N[C@@H](C#N)c1ccc(C)cc1 1867490251 OQNBJXJPTREORW-JHVJFLLYSA-N 490.516 2.344 30 10 JEEE CCOC(=O)C1CCN(C(=O)[C@H](C)NC(=O)C2CCN([C@H](C#N)c3cccs3)CC2)CC1 1868782884 MKXXLCRKAZTMCS-QFBILLFUSA-N 460.600 2.331 30 10 JEEE C=CCn1c(C(=O)N2CCN(C(C)=O)CC2)cc2c(N3CCN(c4ccccc4F)CC3)ncnc21 1873562419 BVLAJEJFTSLHAS-UHFFFAOYSA-N 491.571 2.387 30 10 JEEE C=CCn1c(C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc2c(N3CCCCC3)ncnc21 1873593063 DEHOVWUOFACVAV-UHFFFAOYSA-N 454.556 2.185 30 10 JEEE C=CCn1c(C(=O)N2CCN(c3ccccc3OC)CC2)cc2c(NCCNC(C)=O)ncnc21 1875230581 GEPVQLBXFBDVKG-UHFFFAOYSA-N 477.569 2.136 30 10 JEEE CC(C)N1C(=O)CS[C@H](C(=O)N2CCN(c3cccnn3)CC2)[C@H]1c1ccc(C#N)cc1 1889488719 XHHCWTPLSQRESP-YADHBBJMSA-N 450.568 2.091 30 10 JEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C(=O)N2CCC=C(B3OC(C)(C)C(C)(C)O3)C2)[C@H]1OC 2205490658 WKDDXTKMNDYRME-KURKYZTESA-N 466.384 2.426 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]1NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2247880495 GGRSVEVMRBIKAB-KGLIPLIRSA-N 458.411 2.381 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](O)CN1C(=O)c1csc(B2OC(C)(C)C(C)(C)O2)c1 2255707877 CBSWYJGWPXRNNT-LSDHHAIUSA-N 452.382 2.147 30 10 JEEE CC(C)(C)OC(=O)N1CC2(CCN2S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2255949757 ADYNCLHPLXBVBN-UHFFFAOYSA-N 470.422 2.431 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2256619725 BEHCXSPEGLSVHN-QWHCGFSZSA-N 452.386 2.281 30 10 JEEE CC(C)(C)OC(=O)N[C@H](C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1)C1(O)CCC1 2256664968 HRDYPXKILPBBFZ-CYBMUJFWSA-N 453.370 2.189 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2C[C@@H]3CCO[C@@]3(CNC(=O)OC(C)(C)C)C2)C1 2266484493 IIOSDYOOJKNSBK-OJOCWMRFSA-N 463.575 2.435 30 10 JEEE CC(C)(C)OC(=O)NCCN(CCO)C(=O)c1cc(F)ccc1B1OC(C)(C)C(C)(C)O1 2266983956 RNZHJNDFMRKDML-UHFFFAOYSA-N 452.332 2.084 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](CNC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)CO1 2267159814 LVSUOFYNWWMVMX-ZIAGYGMSSA-N 467.397 2.102 30 10 JEEE CC(C)(C)OC(=O)NCC[C@@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)CCO1 2267195171 VEHFIEBTZAXOGA-CQSZACIVSA-N 467.397 2.198 30 10 JEEE CN([C@@H]1CCN(C(=O)OC(C)(C)C)C1)S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2267378852 OETAJLWDXRYAOB-MRXNPFEDSA-N 467.397 2.011 30 10 JEEE CC(C)(C)OC(=O)NC1(CNC(=O)c2c(F)cccc2B2OC(C)(C)C(C)(C)O2)COC1 2267445582 GJZKZDLERSHRNC-UHFFFAOYSA-N 450.316 2.148 30 10 JEEE Cc1sc(C(=O)N=c2[nH]nc(CNC(=O)OC(C)(C)C)o2)cc1B1OC(C)(C)C(C)(C)O1 2267542081 MIQJNAKBFPLSMQ-UHFFFAOYSA-N 464.353 2.438 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](NC(=O)c2c(F)cccc2B2OC(C)(C)C(C)(C)O2)C1 2281781225 GXBWKSGHGKZUCB-DLBZAZTESA-N 464.343 2.225 30 10 JEEE Cc1c(C(=O)NC[C@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281795395 DZVMCMCFWVYJPN-JKSUJKDBSA-N 462.400 2.451 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)C[C@H]2C1 2281978886 JYRZWNQDZQYWPD-JYJNAYRXSA-N 460.384 2.474 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC2[C@H]3C[C@H]2CN(Cc2ccccc2)C3)n1 2282002524 PJYQBWWQBNTMRG-OALUTQOASA-N 450.392 2.453 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@]12CC[C@@H]1CN(Cc1ccccc1)C2 2282020231 WEIFNMHHHBHVMX-KBMIEXCESA-N 450.392 2.361 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@H]2CCN(C(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)o3)C[C@H]21 2282200120 JZVGIMUXSYZPDS-HZPDHXFCSA-N 462.352 2.429 30 10 JEEE C[C@H]1CCCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)[C@@H]1CNC(=O)OC(C)(C)C 2282533413 KZMICJJFHYEPOM-DOTOQJQBSA-N 462.400 2.485 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)OC(C)(C)C1 2282636383 LQEAOQILVNJWFL-MRXNPFEDSA-N 463.384 2.458 30 10 JEEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)C(=O)C1(CNC(=O)OC(C)(C)C)COC1 2284034421 MUYAJCKXFXLUFC-UHFFFAOYSA-N 460.380 2.486 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@H]1CC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2284058787 BDNAPKYXYQEQHK-CZUORRHYSA-N 465.331 2.388 30 10 JEEE C[C@H]1O[C@]2(C(=O)NCc3ncc(B4OC(C)(C)C(C)(C)O4)s3)C[C@@]1(NC(=O)OC(C)(C)C)C2 2284123921 FGZCHVJETLDDOL-NBQKENEESA-N 479.408 2.273 30 10 JEEE CN(C[C@]1(O)CCCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1)C(=O)OC(C)(C)C 2286312580 KGTAPRQJCHRJSO-HSZRJFAPSA-N 463.384 2.148 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]1CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(O)cc1O 2287594000 JGEUSZZTZHWYCO-CZUORRHYSA-N 462.352 2.430 30 10 JEEE COCc1nnc(SCC(N)=O)n1N=Cc1cc(Br)c(OC(C)C)c(OC)c1 2331565536 NZEOPDYNFVVCJM-UHFFFAOYSA-N 472.365 2.442 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2(C)C)n1C 2362332020 LASSZOGXJHRGER-UHFFFAOYSA-N 462.400 2.499 30 10 JEEE COc1ccc(CCNC(=O)CSc2n[nH]c(N/N=C/c3cccc(OC)c3O)n2)cc1 59016878 QFYWUMLTEDDYCU-FSJBWODESA-N 456.528 2.425 30 10 JEEE Cc1c(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccncc2)cnn1-c1ccccc1 103219816 KOYQMBJSYIEBOO-UGUGFTGJSA-N 473.533 2.330 30 10 JEEE COCCN1C(=O)C(=O)/C(=C(\O)c2ccc3c(c2)OCCO3)[C@H]1c1ccc(C(=O)OC)cc1 111276800 PGCYODCIHLEOEM-GOBJLOIFSA-N 453.447 2.313 30 10 JEEE N#Cc1cc(N)c(Oc2nc[nH]c(=O)c2I)c(I)c1 164193925 DHKGQGGXUOWZLX-UHFFFAOYSA-N 480.003 2.225 30 10 JEEE C[C@H]1CCCC[C@H]1NC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1-c1ccc(C(N)=O)cc1 608828002 BZCBBEWTDGNVHY-HTAPYJJXSA-N 486.597 2.196 30 10 JEEE C[C@H]1CN(c2ccc(NC(=O)C(=O)NC3CCN(c4ccc(C#N)cn4)CC3)cc2)C[C@H](C)O1 727623369 GTEAGWGWPDRYND-ROUUACIJSA-N 462.554 2.291 30 10 JEEE C#CCN(C(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc(C)c2)c1)[C@@H]1CCS(=O)(=O)C1 729330572 GELQOLFSCLKXAA-HXUWFJFHSA-N 460.577 2.367 30 10 JEEE C#CCN(CC(=O)Nc1cnc(N2CCOCC2)c(Br)c1)C(=O)OC(C)(C)C 1155575416 VZCKDIQARFBRDG-UHFFFAOYSA-N 453.337 2.490 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@H]1CCCS(=O)(=O)C1 1286275753 TXRQLOYGDLJLNG-HOTGVXAUSA-N 462.572 2.254 30 10 JEEE C#CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(S(C)(=O)=O)CC1 1286374560 NXYDTNINCOSJCR-MRXNPFEDSA-N 451.593 2.039 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CCc1sccc1C)[C@@H]1CCS(=O)(=O)C1 1286379713 BENWIMAODAVFOB-GOSISDBHSA-N 477.656 2.436 30 10 JEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1C[C@H]1CCN(CC)C1)[C@@H]1CCS(=O)(=O)C1 1286390376 AMTWJKUWLYSWPA-FCHUYYIVSA-N 485.654 2.040 30 10 JEEE C#CCN(c1nnc(CCOc2ccccc2)n1Cc1ccc(C#N)o1)[C@@H]1CCS(=O)(=O)C1 1286394115 UUFMEPLIDRNUJW-GOSISDBHSA-N 465.535 2.039 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C)cc2)CC1 1286509574 UACSHRJQQRNODK-IBGZPJMESA-N 459.641 2.182 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1286547458 GFALKRKEOROJOK-QZTJIDSGSA-N 498.550 2.390 30 10 JEEE C=CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@]1(O)CCS(=O)(=O)C1 1286766073 MHFALTDKEPTPRJ-OPAMFIHVSA-N 480.656 2.320 30 10 JEEE C=CCOc1ccccc1Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1286799696 ZTKVZKPCPHABRY-FQEVSTJZSA-N 499.641 2.223 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CC(=O)NCC(F)F)C1 1286807909 HICFKJQJMIPCEJ-SFHVURJKSA-N 457.485 2.293 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCSC[C@H]1C 1286819160 BYJIRMZIWZSEPB-MRXNPFEDSA-N 488.639 2.217 30 10 JEEE C[C@@H]1CCCN1CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@H](C#N)C1 1291135381 AOFWEZDALOGQCE-VQIMIIECSA-N 457.966 2.075 30 10 JEEE COC(=O)[C@@H](CNC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)Cc1ccc(O)cc1 1292984366 BUAAPDWQCJQCFP-IAGOWNOFSA-N 455.898 2.418 30 10 JEEE CCC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCS(=O)(=O)C2)CCN1CCOC 1294066109 FQQREBIGOCOHEO-UNMCSNQZSA-N 486.642 2.189 30 10 JEEE CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1297709201 HMNAKFWGLIIKMP-OAQYLSRUSA-N 466.567 2.148 30 10 JEEE C#CCCCn1c(N2CCN(c3nc(C)cc(C)n3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1300425304 SKDLVIDQARGXOW-XMMPIXPASA-N 453.591 2.466 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1cc(C)cc(OC)c1)[C@H]1CCS(=O)(=O)C1 1300501217 HUZRUCLACONFTE-NRFANRHFSA-N 465.579 2.256 30 10 JEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCC(=O)N1CCCCC1 1300512147 HLBQMAAOPOGMOP-UHFFFAOYSA-N 481.626 2.022 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC[C@@H]1COCCO1 1300618616 JVTMMMGUMOHLKE-GOSISDBHSA-N 450.543 2.330 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H](c2ccsc2)N(C)C)CC1 1300684810 AHKDJDWPRSPFCZ-OFNKIYASSA-N 458.632 2.050 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(Cl)cc2F)CC1 1300710799 LOYXPGPGRITVFS-UHFFFAOYSA-N 460.941 2.223 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@@H](C)N2CCC[C@@H](C)C2)CC1 1300719981 YARWXNKKLQRICN-WOJBJXKFSA-N 451.619 2.370 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCOCC(F)(F)C(F)F)CC1 1300725849 KTLPZKGJMRKVKZ-MRXNPFEDSA-N 475.487 2.055 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H](Cc2ccccc2)OC)CC1 1300732394 MXTWOLYURDZALS-FGZHOGPDSA-N 451.571 2.353 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CCNC(=O)C(C)C 1300873415 JFHUPGXZMGUMSG-PKOBYXMFSA-N 455.563 2.115 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1300877785 ZSXGIRKWPDZPOQ-ICSRJNTNSA-N 473.622 2.124 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1300895491 ABJCFLVMYHYPND-PGRDOPGGSA-N 493.605 2.446 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 1300988805 JTGXCNBBGBHNKP-KZNAEPCWSA-N 483.635 2.122 30 10 JEEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C(C)(C)C)C1 1300991405 SLJYTJYJHFRQSW-MSOLQXFVSA-N 455.625 2.076 30 10 JEEE C=CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCN1CCC(O)CC1)C1CC1 1301317421 RQMQHKTXNUYJCH-UHFFFAOYSA-N 459.616 2.350 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1301481737 ONAGGBIWDWBUMQ-HXUWFJFHSA-N 482.610 2.278 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1301577468 JZZAVOYKGPYZIV-QGZVFWFLSA-N 463.579 2.426 30 10 JEEE CCC(CC)c1cc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)on1 1305713684 BDDUVVVJMBXRNN-YJYMSZOUSA-N 453.544 2.270 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCNC(=O)C1CCC1 1358885134 DMQFZSFTTXSIRT-INIZCTEOSA-N 457.604 2.003 30 10 JEEE C#CCCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1358912779 YLUILXAMOJUNDG-RTBURBONSA-N 471.606 2.410 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H](C)Oc1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1358960419 DPZCZWMEVNBLNZ-UYAOXDASSA-N 481.578 2.443 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ccc(N(CC)CC)cc1)[C@@H]1CCS(=O)(=O)C1 1358960779 LQRHRFOTIIATDY-OAQYLSRUSA-N 479.610 2.256 30 10 JEEE C#CCN(CCOC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1359018963 HGQXPPPLXZXSPV-QDSKXPNFSA-N 462.591 2.133 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2Cc2ccc(OC)c(OC)c2OC)CC1 1359043293 OZMNFQXXLSYDQH-UHFFFAOYSA-N 490.564 2.380 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2C[C@@H]2CCC[C@H](O)C2)CC1 1359043445 UIVPFGQIEQVEAK-QUCCMNQESA-N 451.571 2.471 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccccc2OC)CC1 1359048205 ISLGNUVHOQSKGQ-UNMCSNQZSA-N 467.570 2.025 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(S(C)(=O)=O)CC1 1359095454 OJOQHWPVKDMVHV-FUHWJXTLSA-N 466.995 2.056 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1359118637 SMJDXZDNCMGVSS-WOJBJXKFSA-N 461.588 2.156 30 10 JEEE C=CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(CCC(=O)N2)C1)c1ccccc1 1359194173 QIFOLWJDXWIWLR-GWJPWWOOSA-N 472.615 2.107 30 10 JEEE CC(=O)NCC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)CN2CCOCC2)CC1 1359444185 BFMMCBLNXPQJLY-HXUWFJFHSA-N 495.628 2.050 30 10 JEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCCCN(CC(=O)OC(C)(C)C)C1=O 1471360670 ZRGDQVVKVOYIOQ-DLBZAZTESA-N 451.564 2.132 30 10 JEEE COc1cccc(-c2nnc(N(C)[C@H](C)CC#N)n2CCS(=O)(=O)N2CCSCC2)c1 1504329025 GNPQIRZNSSOCGV-MRXNPFEDSA-N 464.617 2.071 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1507626158 NAGSFWWQCNJWCM-JKSUJKDBSA-N 482.404 2.232 30 10 JEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1C[C@H](C)CN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1507627935 UNLSBCUCRBPLFG-WIYYLYMNSA-N 492.045 2.194 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCCN1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1507634966 OTTZJCXHKDCUHL-NRFANRHFSA-N 490.699 2.383 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H](c1ccc(F)cc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1507635703 UPLBQYABESFDRO-GOTSBHOMSA-N 496.612 2.333 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(F)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1507640843 WSRDMKJMKJEWIB-GOSISDBHSA-N 474.537 2.093 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(-n2ccnc2C)c(F)c1 1507690142 QERHBJZQBRFJNO-SFHVURJKSA-N 456.547 2.321 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H]2CCOC[C@H]2OC)CC1 1507742996 UZIUXGLGBNMYCA-PGRDOPGGSA-N 487.551 2.164 30 10 JEEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCCN(C(=O)C2CC2)CC1 1507778813 HMQFXRSUWCRNPV-HNNXBMFYSA-N 456.385 2.359 30 10 JEEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1CCNS(=O)(=O)Cc1ccon1 1507974697 IQBDOZWKEUQLRH-UHFFFAOYSA-N 487.405 2.499 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCS(=O)(=O)C1 1508004181 AICFVPQEZLWGLG-IAGOWNOFSA-N 499.634 2.045 30 10 JEEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(c2ccnc(C)n2)CC1 1508042632 UVBQPFSYUQFSBF-UHFFFAOYSA-N 452.950 2.473 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](Oc2ccccn2)C1 1508073628 OHBJRLBTMGAVBV-HNNXBMFYSA-N 472.347 2.391 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN([C@H](C)c2nccs2)CC1 1508075886 BSVQTZNNHODYTD-QGZVFWFLSA-N 462.583 2.459 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2cccn(CC)c2=O)C1 1508115242 DUCXUNVNTIZQAC-FQEVSTJZSA-N 483.594 2.360 30 10 JEEE CCS(=O)(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)c2ccco2)CC1 1516771393 AIZCXGONXHADIX-UHFFFAOYSA-N 482.566 2.243 30 10 JEEE COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1cc(C#N)c2ccccc2n1 1525650184 DSSKOMOIRNGNFS-UHFFFAOYSA-N 452.492 2.388 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1CCNS(=O)(=O)CC 1539031345 ZYBKXGOSUJLNAH-CQSZACIVSA-N 470.393 2.017 30 10 JEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1cccc(C(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 1539200868 QUSMPLVDXKXIOR-SFHVURJKSA-N 495.527 2.208 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1cccc(NC(=O)OC)c1)[C@@H]1CCS(=O)(=O)C1 1539224006 BLCILRMYEOQYRJ-OAQYLSRUSA-N 494.577 2.117 30 10 JEEE C#CCN1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCN(C(C)C)C(C)C)CC1 1539446522 FIGDKTNSNYVCBT-UHFFFAOYSA-N 479.677 2.326 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2Cc2cccc(C(=O)N(C)C)c2)CC1 1539482982 QNOZMZNFFAIKCY-UHFFFAOYSA-N 450.587 2.193 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2CCN(C)C(C)C)CC1 1539488943 PBUNOGDRGIPZDF-UHFFFAOYSA-N 452.603 2.472 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)OCCOC)n1Cc1ccccc1S(=O)(=O)N(C)C 1539538104 CGIPBXGFGMGRFW-WZONZLPQSA-N 475.615 2.293 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1539916824 OHRHUQWMICSBSR-ZWKOTPCHSA-N 469.652 2.465 30 10 JEEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1540021014 ZDPJWFKBIGSNQS-UHFFFAOYSA-N 455.538 2.346 30 10 JEEE C=CCCOCCn1c(-c2noc3c2COCC3)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1540034061 VGWIBEZPFZBIJG-INIZCTEOSA-N 465.576 2.002 30 10 JEEE C=CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCN1CCCS1(=O)=O 1540071786 NGSRXFDKQPCBAY-KRWDZBQOSA-N 468.624 2.050 30 10 JEEE C=CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC1(S(C)(=O)=O)CCC1 1540084806 ZWUVDRXSVDGDHE-UHFFFAOYSA-N 472.659 2.232 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](Oc2ccccc2)C1 1540861858 JIYPPNOOGBQHQV-LJQANCHMSA-N 461.526 2.275 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H](CC)c3ccccc3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1540884019 IYFARNVXTQZLMH-TXTKFYIRSA-N 460.600 2.151 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1540897097 AFCMPBDFZYFDMM-KSFYIVLOSA-N 493.561 2.189 30 10 JEEE C=CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1540912408 XLALORYECOCQQX-OAQYLSRUSA-N 465.627 2.479 30 10 JEEE N#Cc1ccc(OCC(=O)NCC(=O)N2CCN(c3ccccc3)CC2)cc1Br 1544580366 CWNIGGJQPIQMHF-UHFFFAOYSA-N 457.328 2.165 30 10 JEEE C[C@H]1COCCN1CCn1c(N2CCN(Cc3ccc(C#N)cc3)CC2)nnc1C(C)(C)C 1545127122 DTWKNQPVKPURKS-FQEVSTJZSA-N 451.619 2.490 30 10 JEEE Cn1cnc(C(=O)N2CC3(CCN(c4ccc(C#N)c(C(F)(F)F)c4)CC3)C[C@@H]2C(N)=O)c1 1548379930 LXUIVCPBMXYBCR-GOSISDBHSA-N 460.460 2.297 30 10 JEEE N#Cc1ccc(OCc2cccc(C(=O)N3CCC(N4CCS(=O)(=O)CC4)CC3)c2)cc1 1566959842 CLLNRMZIYAALRZ-UHFFFAOYSA-N 453.564 2.472 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)o2)n1Cc1ccc(OCCN(C)C)cc1)[C@H]1CCS(=O)(=O)C1 1588041031 UFVAKGOAEAZSLK-NRFANRHFSA-N 497.621 2.462 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@](C)(O)c1ccsc1)[C@H]1CCS(=O)(=O)C1 1588049126 AOEVPHDGSOVYNK-PGRDOPGGSA-N 471.608 2.244 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1cccnc1OCCCC)[C@H]1CCS(=O)(=O)C1 1588053581 FXHLUIYYWOYJKN-RTWAWAEBSA-N 487.626 2.421 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H](C)CN1CCN(CC)CC1 1588113082 GJFHWNGEMBXFON-NRFANRHFSA-N 462.598 2.063 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCN1C[C@H](C)O[C@H](C)C1 1588280136 HBGZITITRVOEMR-KDURUIRLSA-N 459.616 2.307 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc4c(s3)CC[C@H](C)C4)n2CCS(=O)(=O)NC(C)C)CC1 1588769607 VAQFZCBUBZOXFD-SFHVURJKSA-N 490.699 2.214 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CCc2nnc3n2CCCCC3)CC1 1588885546 XFYPRQFXLVXTNS-UHFFFAOYSA-N 452.607 2.102 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CC(C)(C)COC)CC1 1588929804 HDAMVJYBCRTBDF-NRFANRHFSA-N 467.570 2.429 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1OCC 1589216627 TXBWBAUECRQIRC-NZQKXSOJSA-N 473.599 2.050 30 10 JEEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1593703735 MZCZQOAFOQFFOS-HNNXBMFYSA-N 487.424 2.146 30 10 JEEE C=CCCOCCn1c(N2CCN3CCOC[C@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1594830535 YONYYXJYFZHZPN-HSALFYBXSA-N 476.622 2.162 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCCN(C(=O)C(C)C)CC1 1595529664 CGWSLHBMYCSGGA-UHFFFAOYSA-N 476.585 2.128 30 10 JEEE COc1ccccc1-c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCC(=O)NC(C)C 1619398325 FVYWHDNYJKXYAR-GOSISDBHSA-N 489.584 2.245 30 10 JEEE N#Cc1ccc(S(=O)(=O)NCC(=O)Nc2ccc(=O)n(Cc3ccc(Cl)cc3)c2)cc1 1653354835 FLPLUBLLPOAVNW-UHFFFAOYSA-N 456.911 2.339 30 10 JEEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc(Br)c(C(C)=O)c2)n1 1663734356 SWOCWJPXYWEDNR-UHFFFAOYSA-N 454.346 2.319 30 10 JEEE C#C[C@@H](NC(=O)N1CCN(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1)c1ccccc1 1683680513 DPOGYZLZLUCRAA-HXUWFJFHSA-N 455.559 2.361 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCSC2)c1 1689868537 JNDMDOHJPJHSEX-AEFFLSMTSA-N 490.655 2.088 30 10 JEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)NCc2ccc(F)cc2)CC1 1689930675 XBUMNSJNMUGOBV-HXUWFJFHSA-N 487.601 2.266 30 10 JEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCOC[C@@H]1CCCO1 1689966133 LHTJLRIINDBOEY-RBUKOAKNSA-N 463.579 2.242 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1Cc1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1689981961 FBVBJVAAJVFMAM-GOSISDBHSA-N 485.566 2.242 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN(C(=O)OC(C)(C)C)C1CC1 1690077548 REYFATDBGOFRLA-INIZCTEOSA-N 451.593 2.039 30 10 JEEE C#CCSCCn1c(N2CCC(N3CCN(CC)C3=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1690185605 AXOOGAJKHOVARO-DEOSSOPVSA-N 490.674 2.411 30 10 JEEE C=C(Br)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1690223057 CPLAZGBJFZIKPM-CYBMUJFWSA-N 455.334 2.206 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCC(NS(C)(=O)=O)CC1 1690250752 KWFBVYPCLJYVIR-OXJNMPFZSA-N 480.660 2.133 30 10 JEEE C=C(Cl)Cn1c(N2CCC[C@H](n3ccc(C(=O)NC)n3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1690358483 BPBKENRPCUTJOJ-HTAPYJJXSA-N 477.997 2.469 30 10 JEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](c2ccc(C)o2)N2CCOCC2)CC1 1690364227 MBHKDHIOUUMKLM-RTBURBONSA-N 478.619 2.020 30 10 JEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C2CCCC2)CC1 1690508589 LONJPIUCLYZUTL-IBGZPJMESA-N 451.637 2.228 30 10 JEEE C=CCN(C)c1nnc(-c2ccc(Br)cc2)n1CCNS(=O)(=O)Cc1ccon1 1690518389 HXMMFHNSLSPIDK-UHFFFAOYSA-N 481.376 2.437 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)N1CCC[C@@H](C)C1)C1CC1 1690545649 VYDRCSDWJWWNGG-QUCCMNQESA-N 480.679 2.276 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)N1CCN(CC)CC1 1690565609 NSXZJVSCSAPOJL-JTHBVZDNSA-N 486.686 2.399 30 10 JEEE C=CCN(CCc1ccco1)c1nnc(C(=O)N2CCCC2)n1CCN1CCN(C)C(C)(C)C1 1690604326 SQNXWNOVLNJKBR-UHFFFAOYSA-N 469.634 2.368 30 10 JEEE C=CCn1c(N2CCN(Cc3c(CC)nn(C)c3Cl)CC2)nnc1[C@@]1(OCC)CCOC1 1690653567 XQFQKZSSPJDADP-JOCHJYFZSA-N 464.014 2.388 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN([C@H](C)c2nccs2)CC1 1690722304 DRSTXHGCHSFENG-MRXNPFEDSA-N 461.617 2.214 30 10 JEEE CCN(CC)[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NC(=O)COC)CC1 1695604700 AHZCNNBCHMKNPL-GOSISDBHSA-N 453.591 2.278 30 10 JEEE CN(Cc1cccc(C#N)c1)c1nnc(-c2cccn2C)n1C[C@H]1CCN(S(C)(=O)=O)C1 1696687987 FYUKJDZZJXEEHV-IBGZPJMESA-N 453.572 2.073 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2csc(C)c2)c1 1705504081 MMPVRKRNIPXWPI-INIZCTEOSA-N 486.623 2.363 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCOc1ccc(Cl)cc1 1705534966 XEPYPMGCXFTYAE-LJQANCHMSA-N 482.006 2.193 30 10 JEEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCC(=O)NC(C)(C)C 1705605255 GJCJNNRVEMCHEW-UHFFFAOYSA-N 459.620 2.311 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(Br)c2)n1CCC(=O)N1CCOCC1 1705622517 KJJAHWNWOYDXKY-UHFFFAOYSA-N 476.375 2.043 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCc2cccc(C)c2)CC1 1705644257 KFHNZDPAMSBUCO-UHFFFAOYSA-N 471.565 2.442 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCCNc2ccccn2)CC1 1705647615 HWGBYBBYTIBUSK-HXUWFJFHSA-N 451.575 2.383 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccnc(C(F)(F)F)c2)CC1 1705648771 YKGARGOEUZTKTG-KRWDZBQOSA-N 462.476 2.210 30 10 JEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](CN(CC)CC(F)(F)F)C1 1705659053 KDMLLNRJXIDDGL-JKSUJKDBSA-N 458.554 2.306 30 10 JEEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCN(c2nccc(OCC)n2)CC1 1705663181 YUGBMMXJFMDROL-UHFFFAOYSA-N 464.599 2.146 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](CC)NC(=O)OC(C)(C)C)CC1 1705769596 XEWOZMOMRLQJNO-ZWKOTPCHSA-N 498.650 2.071 30 10 JEEE C=CCNC(=O)Cn1c(N(C)Cc2nc3ccccc3s2)nnc1[C@@]1(OCC)CCOC1 1705908238 LQBSPZTVIWEKAU-JOCHJYFZSA-N 456.572 2.479 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc3c(c2)CCCO3)C1 1705917502 WYUPJWNPVTZMAX-VQIMIIECSA-N 461.588 2.043 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC(N(C)C(C)=O)CC1 1705937608 YWQAKQKWLDRRNU-UHFFFAOYSA-N 484.626 2.398 30 10 JEEE C=CCSCCn1c(-c2cccn2C)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1705942964 KEBBVXYKXZEMSY-IBGZPJMESA-N 457.648 2.336 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1csc(C)n1 1722332921 PZHNOCYOEBMMCW-MSOLQXFVSA-N 464.617 2.131 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H](CC)OC)[C@H]1CCS(=O)(=O)C1 1722370330 NETBVBZMQKHGCX-OTWHNJEPSA-N 495.646 2.402 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1CCNC(=O)c1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 1722371582 KNUODNDAMPRCJD-NRFANRHFSA-N 497.646 2.296 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCN1CCCCC1=O 1722394107 NLYRHNGOVRXXOX-UHFFFAOYSA-N 471.565 2.058 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@](O)(c2ccccc2)C(F)(F)F)CC1 1722432503 XZZRZANDUUQTOF-GCJKJVERSA-N 481.519 2.207 30 10 JEEE C=C(Br)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H](CN2CCOCC2)C1 1722487022 HUEKDPVJLIXOBH-SFHVURJKSA-N 464.412 2.207 30 10 JEEE C=C(C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1722519937 XMKDFTAOTGIYQX-UHFFFAOYSA-N 456.547 2.113 30 10 JEEE C=C(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](OCC)C1)c1ccccc1 1722539885 CFWWLSMJJWXIGM-SFTDATJTSA-N 475.615 2.330 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2c(F)cc(F)c(F)c2F)CC1 1722565845 CXTLFSKCVXOCTK-INIZCTEOSA-N 489.495 2.372 30 10 JEEE C=CCC(C)(C)Cn1c(-c2noc3c2COCC3)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1722591291 MVDZBLWMWQQJIH-UHFFFAOYSA-N 478.619 2.468 30 10 JEEE C=CC[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)NCC)CC1)c1ccccc1 1722596147 DFXJNEHDQCKQPG-SFTDATJTSA-N 486.642 2.392 30 10 JEEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1722608176 XCSZCNPVMQGYII-WOJBJXKFSA-N 459.639 2.009 30 10 JEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1722700879 XXTLRXZQAXXLMC-UHFFFAOYSA-N 476.610 2.130 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1722730244 MOGANHRYJOSUJX-QGZVFWFLSA-N 463.629 2.026 30 10 JEEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N2CCOCC2)C[C@@H](C(F)(F)F)O1 1726670555 FRKQRCOYCQUCMW-QAPCUYQASA-N 478.475 2.222 30 10 JEEE CCCn1nc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H](C)COC)c2ccccc2c1=O 1728161839 AHKVXXQHMYTXDZ-IAGOWNOFSA-N 451.531 2.076 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1740617018 KIBGHZIETDPUFE-JENIJYKNSA-N 462.547 2.220 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2N(C)CCCC2(C)C)CC1 1740693427 YAFOUPSTOATYPU-BWKNWUBXSA-N 458.651 2.194 30 10 JEEE C#CCN1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2C[C@H](OC)C(C)C)CC1 1740695344 NXNKPCHSQXMWJG-NRFANRHFSA-N 463.586 2.101 30 10 JEEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2CCCN2CCCO[C@@H](C)C2)CC1 1740698274 COOWTWWFFYAYRB-QHCPKHFHSA-N 466.630 2.156 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2Cc2ccc(OCCN(C)C)cc2)CC1 1740704920 WJLUMILZYVGOLL-UHFFFAOYSA-N 487.608 2.295 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCN2CCCC[C@@H]2C)CC1 1740708134 CWKXZNVMCTUYDA-NRFANRHFSA-N 480.661 2.370 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1740750092 LQPMRQQWAKMILR-YLJYHZDGSA-N 484.561 2.027 30 10 JEEE C=CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1740859118 GWJTXVGVSIDMQJ-IEBWSBKVSA-N 462.572 2.065 30 10 JEEE C=CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1740894673 CMXMBGVWZOPEMW-SFHVURJKSA-N 477.495 2.196 30 10 JEEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@H](OC)C(C)(C)C2)cc1 1740966401 SKTBMSPHEALGFU-LPHOPBHVSA-N 463.604 2.363 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCN(C(=O)c2ccsc2)CC1 1740987268 RHOWVZRQBOBTMK-INIZCTEOSA-N 451.618 2.416 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@](C)(O)[C@@H](C)CC)c1 1748692939 SPQBNDMGLSIFDK-TVVUZDRGSA-N 452.559 2.083 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC2CC2)n1 1748971408 OEHKMTUIWYNOKZ-OAQYLSRUSA-N 499.616 2.479 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@]2(O)CCC[C@@H]2C)CC1 1749001278 OSHREUSRTVEVMU-UVPKRVSESA-N 472.634 2.355 30 10 JEEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 1749222220 CXUKURXOZKKKHB-SFHVURJKSA-N 452.515 2.399 30 10 JEEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)c1cccs1 1749228542 BDXPUOQCSKZLNE-DLBZAZTESA-N 469.633 2.463 30 10 JEEE COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)C(C)(C)C)C[C@H](C)O1 1749576552 HDGDPWTXCYKIIC-FXAWDEMLSA-N 470.574 2.131 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1749677989 RIOIPGFRQIUPLE-SFHVURJKSA-N 475.615 2.080 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1749680777 QVMKAWZPZJNZFC-MRXNPFEDSA-N 455.494 2.374 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1749724367 INRFMCRKSSKXKE-ROUUACIJSA-N 477.631 2.482 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@@H](C)C1 1749735715 VDRDUMOGQCXREZ-GOSISDBHSA-N 459.620 2.289 30 10 JEEE N#CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCOc2ccc(F)c(F)c2)CC1 1750385197 FIBUPGDISOILNB-OAHLLOKOSA-N 451.499 2.277 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCNC(=O)C1CCC1 1760101618 TVNLUXADJRBFJM-MRXNPFEDSA-N 471.631 2.311 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1[C@H]1C[C@H](c2cccc(F)c2)C1 1760117642 RRJBNFVPCNHIDF-UHMOLFJZSA-N 461.563 2.327 30 10 JEEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 1760144184 HBISEPZKAPSJEL-UHFFFAOYSA-N 472.553 2.100 30 10 JEEE C#CCN(c1nnc(COc2ccccc2CC)n1Cc1c(C)nn(C)c1C)[C@@H]1CCS(=O)(=O)C1 1760192488 VAFWNQFIBGXRII-OAQYLSRUSA-N 496.637 2.445 30 10 JEEE C#CCN1CCN(c2nnc(Cc3cn4ccccc4n3)n2C[C@@H](CC(C)C)NC(=O)OCC)CC1 1760263322 XCLQWMLTCJWCFN-OAQYLSRUSA-N 492.628 2.433 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H]2CCN(CC)C2)CC1 1760266957 BZRODUKNMDYTSG-QGZVFWFLSA-N 455.994 2.301 30 10 JEEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(=O)c2ccccc2C)CC1 1760341579 JSJHESDWKAPLDD-QGZVFWFLSA-N 460.604 2.172 30 10 JEEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1760351936 MSRNCLMGTZMDOO-SFHVURJKSA-N 455.563 2.259 30 10 JEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCS(=O)(=O)Cc2ccccc2)CC1 1760382563 TUCBTPLYPMHFIR-GOSISDBHSA-N 481.644 2.050 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCCN(C(C)=O)CC1)C(C)C 1760490154 QTWPUQGNONLULV-JOCHJYFZSA-N 454.623 2.436 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)C[C@H]1CC=CCC1 1760517545 PSEFXHZECRELHV-SFHVURJKSA-N 472.615 2.290 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1760523476 ZMXALJZAUMCQQY-IAGOWNOFSA-N 472.594 2.110 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC(CCC(N)=O)CC1 1760528995 SVEGXHDHEYOYIK-SFHVURJKSA-N 489.621 2.134 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCC[C@H](NC(=O)OCC)C1 1760552540 RSDCVYZZWWQGEY-KRWDZBQOSA-N 477.587 2.269 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1760553357 AYMSRBJNRXGNLX-GOSISDBHSA-N 460.604 2.134 30 10 JEEE C=CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1760569039 ASZNQKABVRFHJG-QFIPXVFZSA-N 495.653 2.391 30 10 JEEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](CC(C)C)N(C)C)C1 1765671677 HNWJHXLGZHCPHA-RTWAWAEBSA-N 473.647 2.311 30 10 JEEE N#CCCN(CC1CC1)c1nnc(COc2ccccc2F)n1CC1(O)CCS(=O)(=O)CC1 1770756450 DVLLRNKWCBYGRB-UHFFFAOYSA-N 477.562 2.066 30 10 JEEE CS(=O)(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCSC2)CC1 1771362665 GZKXOGZXOPVOFQ-KRWDZBQOSA-N 460.629 2.478 30 10 JEEE CN1CCCc2cc([C@@H]3C(C(=O)c4ccc5c(c4)OCCO5)=C(O)C(=O)N3CCO)ccc21 1862611902 WJBWPVSZCKBJOH-JOCHJYFZSA-N 450.491 2.411 30 10 JEEE COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2C[C@@H](C)O)cc(OC)c1O 1862612205 DBWMSOLLWXMNQU-MPBGBICISA-N 471.462 2.140 30 10 JEEE COc1ccc(OC)c(NC(=O)[C@@H](CO)NC(=O)C2CCN([C@@H](C#N)c3cccs3)CC2)c1 1866866448 HSEDATFFQKZGCG-MOPGFXCFSA-N 472.567 2.158 30 10 JEEE CC(=O)c1ccc(NC(=O)[C@H](CO)NC(=O)C2CCN([C@H](C#N)c3cccs3)CC2)cc1 1866867042 MAEOCFHACWTXAJ-VQTJNVASSA-N 454.552 2.343 30 10 JEEE CC[C@](C)(NC(=O)c1ccc2c(c1)C(=O)N([C@H](C)C(=O)O)C2=O)C(=O)N[C@H](C#N)c1ccc(C)cc1 1867498687 VJMUTQIPBUWGNU-IXWFPJNJSA-N 490.516 2.344 30 10 JEEE N#Cc1nnn(Cc2cc([N+](=O)[O-])cc3c2OCOC3)c1NC(=O)CCOc1ccccc1 1870113135 OSRMQVZIIBILAT-UHFFFAOYSA-N 450.411 2.380 30 10 JEEE COc1cccc(-n2nnc(C#N)c2NC(=O)[C@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2)c1 1870149680 NIVNACUHCFQNDS-KRWDZBQOSA-N 490.520 2.194 30 10 JEEE C=CCN(CC=C)c1nc(=NCCCN2CCCC2=O)[nH]c(=Nc2cccc(N(C)C)c2)[nH]1 1871614873 GZUJFKAAOZRMRO-UHFFFAOYSA-N 450.591 2.128 30 10 JEEE COc1ccc(N2C[C@@H](c3nnc(SCCO)n3/N=C/c3cccc(OC)c3O)CC2=O)cc1 1874197832 CJLFACIJDAKHPT-CBFMJHRQSA-N 483.550 2.488 30 10 JEEE COc1ccc(N2C[C@H](c3nnc(SCCO)n3/N=C/c3ccc(O)c(O)c3)CC2=O)cc1 1874198394 ZMFPIOIRKCPCGQ-AQXNZCSYSA-N 469.523 2.185 30 10 JEEE CCN1CCN(CC#CCOC2CCN(C(=O)c3c(C)c4ccccc4oc3=O)CC2)CC1 1890855356 RTZFSBOXZHPOMJ-UHFFFAOYSA-N 451.567 2.364 30 10 JEEE CC1(C)OB(c2cc(NS(=O)(=O)CCCCN3C(=O)c4ccccc4C3=O)ccn2)OC1(C)C 2029308072 MNAYTNKRURVWLH-UHFFFAOYSA-N 485.371 2.199 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NC[C@@H]2CN(C(=O)OCc3ccccc3)CCO2)C1 2247555571 YBDKXGBBXPSFLQ-GTUCJRJXSA-N 471.554 2.447 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC1CN(C(=O)OCc2ccccc2)C1 2255633768 HGALKNHQTIDGJY-UHFFFAOYSA-N 468.363 2.026 30 10 JEEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)[C@@H]2C[C@H]21 2255799602 KXBAZRKKBSUZTG-HUUCEWRRSA-N 470.422 2.430 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)s1 2256620617 KNVNRYKHKKIUGW-ZFWWWQNUSA-N 452.382 2.034 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCO[C@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C1 2256736378 SVGTWRKIVXNFPQ-STQMWFEESA-N 453.370 2.453 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1CN2S(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2267379133 VNUVQOWUMDQQEW-DLBZAZTESA-N 464.393 2.368 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]1NS(=O)(=O)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2267471016 PVRKKBAJKYMHFD-WMZOPIPTSA-N 466.409 2.318 30 10 JEEE CC1(C)OB(c2cccnc2C(=O)N[C@H]2CCOC[C@@H]2NC(=O)OCc2ccccc2)OC1(C)C 2267586404 JQVJJCKADPIIMB-PMACEKPBSA-N 481.358 2.195 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1C[C@@H](F)C[C@H]1CNC(=O)OC(C)(C)C 2267599067 JOFUXSLEDJIOSD-HOTGVXAUSA-N 451.348 2.402 30 10 JEEE COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)O 2268637354 BXTCFFDWSHGTTD-CXAGYDPISA-N 450.341 2.207 30 10 JEEE CN(Cc1sccc1B1OC(C)(C)C(C)(C)O1)C(=O)[C@@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C 2268646763 LJTYJQGIFQHXDL-ZBFHGGJFSA-N 466.409 2.376 30 10 JEEE CC1(C)OB(c2cscc2S(=O)(=O)N2CCC[C@H](NC(=O)C(F)(F)F)CC2)OC1(C)C 2270596167 AEULKEXEBMZDFN-LBPRGKRZSA-N 482.355 2.269 30 10 JEEE CC(C)[C@@H]1CN(C(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)CCN1Cc1ccccc1 2281956647 ASQALWVTPIPUSF-IBGZPJMESA-N 453.396 2.097 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@]1(CO)CCCN(C(=O)OC(C)(C)C)C1 2281959556 NYVFAKPHGOCXRS-QFIPXVFZSA-N 481.424 2.243 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)[C@H](C(=O)O)C1 2282181976 NHOVTCSDXWPFEA-KRWDZBQOSA-N 460.336 2.132 30 10 JEEE CO[C@H]1CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)c(F)c2)C[C@H]1NC(=O)OC(C)(C)C 2282472924 DUDWKVUVWDXCTN-MSOLQXFVSA-N 464.343 2.489 30 10 JEEE CC(C)(C)OC(=O)N1CC(ONS(=O)(=O)c2c(F)cc(F)cc2B2OC(C)(C)C(C)(C)O2)C1 2282504067 JKIZMFBWQJFWCN-UHFFFAOYSA-N 490.334 2.093 30 10 JEEE COc1ccc(S(=O)(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2282505237 APBQZPVDUPHDHA-HNNXBMFYSA-N 482.408 2.282 30 10 JEEE Cn1cc(C(=O)N[C@]23CCC[C@H]2N(C(=O)OC(C)(C)C)CC3)nc1B1OC(C)(C)C(C)(C)O1 2282548969 CVFYNFXHJABCEO-MWTRTKDXSA-N 460.384 2.381 30 10 JEEE Cn1cc(C(=O)N2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)c(B2OC(C)(C)C(C)(C)O2)n1 2282598507 NZBYUDINYUWPON-WOJBJXKFSA-N 450.392 2.313 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](CNC(=O)c3ncncc3B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2282695898 VDVIUKJWLKPREU-OWCLPIDISA-N 458.368 2.009 30 10 JEEE CN(CCCCCCNC(=O)OC(C)(C)C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282700884 UCABVCQTPQASSU-UHFFFAOYSA-N 465.404 2.271 30 10 JEEE CN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(O)cc1O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2282991600 HXYAFZKFEUQGEQ-AWEZNQCLSA-N 462.352 2.478 30 10 JEEE Cc1nc(NC(=O)[C@H]2[C@@H](C)OCCN2C(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2283958098 VRSXGJVEMDHPET-GDBMZVCRSA-N 462.356 2.047 30 10 JEEE CC(C)(C)OC(=O)N[C@H](C(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)ccc1F)C1COC1 2283987408 XOEYZYKRLNJIOY-SFHVURJKSA-N 464.343 2.281 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N1CCc2cccc(B3OC(C)(C)C(C)(C)O3)c2C1 2284066103 PKRGTSGXBBCKTM-IBGZPJMESA-N 460.380 2.146 30 10 JEEE C[C@H](O)CN(CCNC(=O)OC(C)(C)C)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2285351236 VAIPUGPZRYGIOI-HNNXBMFYSA-N 466.359 2.473 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)[C@H](C)Oc3cccnc3NC(=O)C=CC(=O)O)cc21 2318692720 PLNLKRZXVIMGAV-AWEZNQCLSA-N 451.435 2.223 30 10 JEEE COC(=O)CSc1nnc([C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)n1N=Cc1ccccn1 2325881658 BNOXQIUZIRBZPH-OAHLLOKOSA-N 466.523 2.350 30 10 JEEE COc1cc(C=NNc2nc3c(c(O)nc(=O)n3C)n2CCCOc2ccccc2)ccc1O 2328610865 SOFJZZLLXMWLOX-UHFFFAOYSA-N 464.482 2.465 30 10 JEEE CC(C)(C)OC(=O)N1CCN(c2ccc(B3OC(C)(C)C(C)(C)O3)cc2C#N)[C@@H](C(=O)O)C1 2364928012 NXLOJBKUHDFKGH-GOSISDBHSA-N 457.336 2.368 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(C)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2F)n1C 2369674367 RPWACLZWQQQRGY-GJZGRUSLSA-N 466.363 2.057 30 10 JEEE CCn1c(=O)c(-c2noc(CCC(=O)Nc3cccc(C#N)c3)n2)nn(-c2ccc(C)cc2)c1=O 35402168 QCPTWWJYNLTGBP-UHFFFAOYSA-N 471.477 2.216 30 10 JEEE C=CCn1c(=O)c2ccc(C(=O)N[C@H](C)CC)cc2n2c(=O)n(CC(=O)Nc3ccccc3C)nc12 64581538 AJVVCHFBLFWRHH-QGZVFWFLSA-N 488.548 2.472 30 10 JEEE NS(=O)(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@H]2c2cccnc2)cc1 170356517 PMVXREHJGNZWKA-LJQANCHMSA-N 480.458 2.420 30 10 JEEE C/C(=N\Nc1nnc(SCC(=O)N2CCN(C)CC2)[nH]1)c1ccc(Br)cc1 253579245 ZJUQQYCXAVATOJ-UDWIEESQSA-N 452.382 2.269 30 10 JEEE C=CCO[C@@H]1CCN(CC(=O)Nc2cc(S(=O)(=O)N3CCCCCC3)ccc2OC)C1 1168423040 CXMUJASCSHIICO-GOSISDBHSA-N 451.589 2.475 30 10 JEEE C#CCC1(O)CCN(C(=O)[C@H](CCS(C)(=O)=O)Cc2cccc(Br)c2)CC1 1175854802 XPAHUNFJUNOPEN-QGZVFWFLSA-N 456.402 2.419 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1(S(C)(=O)=O)CCCC1 1286285086 KEWMXPNQWIMMPR-MRXNPFEDSA-N 478.644 2.054 30 10 JEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCCn2ccnc21 1286365729 IEYCOJYZDAZLCR-GOSISDBHSA-N 453.572 2.039 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1CC(C)(C)N1CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1286386721 GLXGLJXHASZHDL-UXHICEINSA-N 470.643 2.477 30 10 JEEE C#CCN(c1nnc(C2CCCC2)n1CCOCC(F)(F)C(F)F)[C@@H]1CCS(=O)(=O)C1 1286393515 LHRDNTHCGOWEDN-OAHLLOKOSA-N 466.501 2.479 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H](c1cccs1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1286395648 SCGLNYXHEMZHEC-UXHICEINSA-N 484.651 2.255 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1ccccc1OCC)[C@@H]1CCS(=O)(=O)C1 1286395673 SSVPEOKIHOQRAK-OAQYLSRUSA-N 465.579 2.338 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1Cc1sccc1C)[C@H]1CCS(=O)(=O)C1 1286398274 IBJHUYDCQJWVAY-LNLFQRSKSA-N 464.613 2.047 30 10 JEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@]2(N(C)C)CCC[C@H](C)C2)CC1 1286483984 BVPYHVJNGZHYJB-CPJSRVTESA-N 452.651 2.405 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCOCC(=C)C)CC1 1286485504 NRBXVBXROADEIT-BGYRXZFFSA-N 458.607 2.397 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2Cc2ccc(S(C)(=O)=O)cc2)CC1 1286490735 QQBPRVKWRDPXPA-UHFFFAOYSA-N 492.605 2.066 30 10 JEEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1286506905 PMMGSTPHBYZQRS-TZIWHRDSSA-N 474.675 2.455 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cc(F)cc(F)c2)CC1 1286509221 ODBFYYSGVPIEOL-INIZCTEOSA-N 481.594 2.151 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl 1286592534 KGDBRPIRMDETJO-GRDNDAEWSA-N 464.419 2.207 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccnc(OC2CCCCC2)c1 1286727567 UHJOEJMREPHESR-FQEVSTJZSA-N 490.630 2.388 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Br)cc2)nnc1N1CCC(NC(C)=O)CC1 1286791909 HAWOSWIMAVJGOE-UHFFFAOYSA-N 491.390 2.027 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1286792503 ZTAKDMVSTBMURN-NRFANRHFSA-N 465.558 2.088 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCSCC(F)(F)F)C1 1286808747 DVHNQGNLLDDFLR-UONOGXRCSA-N 454.540 2.257 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC2(CC1)COC(=O)N2 1286822482 DWOYQEFGWKVSNE-UHFFFAOYSA-N 489.598 2.154 30 10 JEEE CCCC(O)(CCC)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(C#N)C1 1294005042 AHKZFTJHFAOZQX-GHTZIAJQSA-N 482.651 2.072 30 10 JEEE CCN(C(=O)OC(C)(C)C)[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1295045774 BVMJIBZNQNFFKP-YLJYHZDGSA-N 497.600 2.413 30 10 JEEE CN(C)C(=O)[C@@H]1CCCN1CCCn1c([C@H]2CCOC2)nnc1N(C)Cc1ccc(C#N)cc1 1297954279 GMQYRSXFPFOENX-VXKWHMMOSA-N 465.602 2.233 30 10 JEEE C#CCCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)Nc2c(C)cccc2C)CC1 1300403026 FENNXIDGOYLPBF-UHFFFAOYSA-N 460.586 2.470 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1CC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1300488544 FDPYAMKTPPDUMO-HNNXBMFYSA-N 452.964 2.005 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@](C)(O)c1ccco1)[C@@H]1CCS(=O)(=O)C1 1300498063 GJKYOHOIEHVJIM-MWTRTKDXSA-N 490.532 2.275 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)N1CCN(CC)CC1 1300546998 BNQHZPGQLLURIR-YADHBBJMSA-N 483.661 2.449 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2CCN2CCSCC2)CC1 1300732124 XKCHTOSGWQVBJK-UHFFFAOYSA-N 482.654 2.180 30 10 JEEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C(C)=O)cc2F)CC1 1300928391 CDDXJDCYKKLFES-HNNXBMFYSA-N 464.567 2.133 30 10 JEEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ncnc3ccsc23)CC1 1300973270 XIPNMFRBZOQETG-UHFFFAOYSA-N 470.603 2.340 30 10 JEEE C=CCn1c(CCOc2ccccc2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1301467543 YHEHDNRLZXXPRJ-REWPJTCUSA-N 452.603 2.465 30 10 JEEE C=CCN(CC=C)C(=O)Cn1cnc(I)c1I 1307368036 CURODTUGSVDGMD-UHFFFAOYSA-N 457.053 2.293 30 10 JEEE CCN(CC)[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1)c1ccsc1 1313663542 FRNQBUXPUNCXPC-WRWLIDTKSA-N 483.639 2.475 30 10 JEEE N#Cc1c(F)cccc1N1CCN(c2nnc(C(=O)N3CCCC3)n2CC(F)(F)F)CC1 1316530087 DICLOAPCVRWNTP-UHFFFAOYSA-N 451.428 2.414 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1358896673 JNUAESJLERXEQH-WBVHZDCISA-N 468.558 2.211 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc(Cl)nc3)n2CC(=O)NCC=C)c1 1358901433 KLAHQODLHJRHDF-UHFFFAOYSA-N 463.929 2.352 30 10 JEEE C#CCCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1358904853 NCZIKTAYTKGRBZ-FUHWJXTLSA-N 470.961 2.022 30 10 JEEE C#CCCCn1c(CC(C)(C)C)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1358930493 WOVPDBRESKUOTF-KURKYZTESA-N 479.647 2.407 30 10 JEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCCO[C@H](C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1358955765 SUQLXFHDFZMNFX-IFMALSPDSA-N 499.637 2.309 30 10 JEEE C#CCN(c1nnc(C(C)C)n1CC1(N(C)C)Cc2ccccc2C1)[C@@H]1CCS(=O)(=O)C1 1358955945 XHVGUIZODKUCHU-OAQYLSRUSA-N 455.628 2.127 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2c(F)cc(F)cc2C1 1359056791 LOGFALNDVKPFTD-AWEZNQCLSA-N 452.552 2.388 30 10 JEEE C=C(Br)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@@H](OCCOC)C1 1359081894 RPCGSHFZBUKDPT-OAHLLOKOSA-N 499.435 2.389 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccn2)nnc1N1CCC(C(=O)NCCOC)CC1 1359095628 PZYFMRZZELUEHW-TZIWHRDSSA-N 454.575 2.300 30 10 JEEE C=C(C)COCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H](C)O[C@H](C)C1 1359128305 PNYUCMZXCAAUFN-HDICACEKSA-N 463.604 2.402 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1c(C)noc1C 1359189715 SPJQJVHMDUDYAG-GOSISDBHSA-N 466.608 2.455 30 10 JEEE C=CCCOCCn1c(-c2cc(Br)cn2C)nnc1N1CCN(C)C(=O)[C@@H]1C 1359222730 QJVDFUFJTAZWJN-AWEZNQCLSA-N 451.369 2.306 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1359295051 NTJLLKWDEXWVTI-KRWDZBQOSA-N 489.418 2.168 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1CCN(C(=O)c2ccco2)CC1 1359305391 BTBBALMUVYXGQW-UHFFFAOYSA-N 496.593 2.437 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3F)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1359317508 KGCOLFXQYQWZTF-JDAKFOBDSA-N 452.490 2.392 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCN(CC(C)C)C(=O)C1 1359333885 MZPGMTLHLRGJBU-UHFFFAOYSA-N 481.569 2.053 30 10 JEEE C=CC[S@@](=O)(=NC(=O)Cn1cnc2c(c(Br)nn2C)c1=O)c1ccccc1 1463270306 JDRCTDCRLABPNY-MHZLTWQESA-N 450.318 2.132 30 10 JEEE CC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cnn(C)c2C)CCN1CCOC 1499781807 IDISWKWVXSTIOR-JOCHJYFZSA-N 478.601 2.366 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1507627459 JKWQGYOCCWWEBO-HZPDHXFCSA-N 485.393 2.294 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccc(Br)cc2)n1CCCS(C)(=O)=O 1507654702 PVVGRPBKGYFIBD-UHFFFAOYSA-N 465.373 2.127 30 10 JEEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN1CCC(C)CC1 1507709881 DAEWWMKNAYJIRE-UHFFFAOYSA-N 473.647 2.056 30 10 JEEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1507753262 DJMLMELNMLUQDS-MJGOQNOKSA-N 457.604 2.284 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N1CCO[C@@H](COC(C)C)C1 1508078575 DNBCUOVAGKGAJX-LJQANCHMSA-N 450.543 2.426 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1508092412 BTAQCTGGVUVVGQ-QGZVFWFLSA-N 459.522 2.073 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1508137259 LWQJYGUSOGDTCH-RXVVDRJESA-N 477.606 2.232 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1ccc(C(N)=O)nc1 1539034555 GAUZHOMQFHGLHT-YJBOKZPZSA-N 453.547 2.350 30 10 JEEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1539051728 GISPUDLUYMRPOJ-LJQANCHMSA-N 470.555 2.421 30 10 JEEE C#CCN(c1nnc([C@@H](CC)c2ccccc2)n1Cc1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 1539206585 RRIMZFDLRSMMJL-RTWAWAEBSA-N 452.584 2.229 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1cc(C)cc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1539216955 YFCHFCIXRMNFAV-HXUWFJFHSA-N 451.552 2.332 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@@](C)(O)CCC)[C@@H]1CCS(=O)(=O)C1 1539231258 UHKVUYGTLSXJOY-XXBNENTESA-N 460.600 2.343 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1Cc1cccnc1OCCOC 1539266027 LJLRVQVEAABOKP-JOCHJYFZSA-N 459.506 2.332 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC[S@](=O)C(C)(C)C 1539416617 QMHMBJUPZGZJJS-FFZYEISDSA-N 497.662 2.220 30 10 JEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H]1CCCN(c2ccccc2)C1 1539497697 OEYJABHYCDDQAR-UYAOXDASSA-N 476.672 2.360 30 10 JEEE C=CCN(c1nnc(CN2CCCC2=O)n1CC[C@@H](N1CCOCC1)C(F)(F)F)C1CC1 1540113975 FYHDJVMLMWSARB-QGZVFWFLSA-N 456.513 2.209 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1CCOCC1 1540121230 QCHPMJQWXLCVOR-KRWDZBQOSA-N 458.588 2.379 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(C)C)C(=O)C1 1540879397 CFOYZTCYEGGYAH-UHFFFAOYSA-N 466.586 2.432 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1540898453 KRVJMIWTRNSZMF-LJQANCHMSA-N 489.642 2.244 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(COC)CC1 1540901877 SINUFRMTTAVNKT-UHFFFAOYSA-N 472.571 2.058 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCC(CN2CCOCC2)CC1 1540903950 HUQBOMOHUQSGES-UHFFFAOYSA-N 487.670 2.327 30 10 JEEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1540909834 QLECAHVGNLJNTP-JYJNAYRXSA-N 488.680 2.157 30 10 JEEE Cc1nccnc1CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(C#N)CC1 1542983795 FDNLLBDTBVVPJN-UHFFFAOYSA-N 480.598 2.277 30 10 JEEE CCc1nc(CCn2c(C(=O)NC(C)C)nnc2N2CCCN(Cc3ccc(C#N)cc3)CC2)no1 1546366176 FJYUWDPEDKXTJY-UHFFFAOYSA-N 491.600 2.188 30 10 JEEE CCOc1ccc(O[C@H](C)c2nnc(N3CCO[C@H](C#N)C3)n2CCCN2CCOCC2)cc1 1547977829 DQKWUDAVEVRFJJ-DENIHFKCSA-N 470.574 2.268 30 10 JEEE COCCN1C[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N(C)C[C@H]2CCCOC2)CC1=O 1555573920 DBRKRGYGLQOZRO-UXHICEINSA-N 452.559 2.174 30 10 JEEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCCc1cnc(SC2CCCC2)nc1 1556801342 GDFKJCBIOMZYHW-UHFFFAOYSA-N 459.597 2.299 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCn1ccnc1C 1587579565 IDYRNXHNEWAMLW-KRWDZBQOSA-N 455.588 2.249 30 10 JEEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 1587783465 QXRGIZVAGIXBSK-FQEVSTJZSA-N 476.647 2.035 30 10 JEEE C#CCCCCn1c(N2CCO[C@@H](Cn3nc(C)cc3C)C2)nnc1[C@]1(OCC)CCOC1 1587793373 LDGDJAAJKFCLRM-QPPBQGQZSA-N 456.591 2.452 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2cccc(C)c2C)n1Cc1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 1588030388 UEXWGPVQQYGFAM-TZIWHRDSSA-N 482.610 2.443 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCc2ccccn2)cc1 1588139018 KGIRSKAGLISAEZ-OAQYLSRUSA-N 475.574 2.275 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1coc(-c2cccs2)n1 1588228916 NCUPSLJOZKJRHX-MRXNPFEDSA-N 455.565 2.408 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H]2CCCS2)CC1 1588836692 NVERPNHTNVFXCZ-MOPGFXCFSA-N 476.647 2.237 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3F)n2Cc2nncn2CC)CC1 1588908655 UHWGIRGXJGCKFY-UHFFFAOYSA-N 470.940 2.363 30 10 JEEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1589109497 CMRBHUGTNSUZPZ-NRFANRHFSA-N 457.648 2.055 30 10 JEEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1C[C@H](OC)C[C@H]1c1nnc2n1CCC2 1589304383 GOQJNXCJXDPHEI-XHSDSOJGSA-N 496.410 2.415 30 10 JEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cc3c(cc2OC(F)F)OCO3)CC1 1594014515 SJBQTGPZISOMDK-CYBMUJFWSA-N 485.513 2.423 30 10 JEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@](C)(O)c2ccc(F)cc2)CC1 1594181444 LJGBSLXIOWDCTL-BTYIYWSLSA-N 451.568 2.338 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@]2(OC(C)C)CCOC2)n1CC(=O)N1CCOCC1 1595109309 WPXWTVUNFZESOD-VWLOTQADSA-N 469.586 2.370 30 10 JEEE C=CCN(CC=C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H](C)N1CCN(CC)CC1 1595205555 WKWLNVHHYKNMBT-HXUWFJFHSA-N 476.629 2.396 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)NC(=O)OC(C)(C)C 1595218003 DOSLKBSONCHEJA-QGZVFWFLSA-N 498.650 2.093 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC(CN2CCOCC2)CC1 1595476542 LMAMUPJWMGISNK-IBGZPJMESA-N 486.592 2.408 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1595523550 YGZRWMCWYGUPQB-QGZVFWFLSA-N 457.579 2.422 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCO[C@@H](C#N)C1 1595759419 FEDLEUQVTQPYLD-OALUTQOASA-N 459.572 2.365 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C)Cc2ccccc2C1 1611307709 FUMMWKMWBMKYNE-PXNSSMCTSA-N 472.615 2.154 30 10 JEEE CCc1ccc(-c2nnc(N3CCN(c4nccnc4C#N)C[C@@H]3C)n2CC(=O)NC(C)C)cc1 1613784388 CIFYGHAYEFISCD-SFHVURJKSA-N 473.585 2.409 30 10 JEEE COc1cc(OC)c2c(c1Cl)O[C@@]1(C(=O)C=C(NCCN3CCOCC3)C[C@@H]1C)C2=O 1615244432 ZZMCZOLWLVLWPL-XMHCIUCPSA-N 450.919 2.086 30 10 JEEE Cc1ccc(S(=O)(=O)N[C@H](C(=O)Nc2ccc(Br)c(C#N)c2)[C@@H](C)O)cc1 1635978800 BSRHHTXSSCGTJD-PXAZEXFGSA-N 452.330 2.296 30 10 JEEE C=CCN(C(=O)Nc1cc(Br)ccc1N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1667517210 MLKSJSCVDULPLL-HNNXBMFYSA-N 458.378 2.493 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H]1CCCN1CC)[C@H]1CCS(=O)(=O)C1 1689983495 CJBSQVASRBLVMK-UXHICEINSA-N 487.626 2.073 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CCCO[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1689983982 IROFXAYHEYZNOE-YADHBBJMSA-N 472.611 2.330 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1cccc(F)c1)N(C)C 1690047403 QBTCQALJVJUIDP-PZJWPPBQSA-N 457.575 2.085 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2Cc2ccc(C)n(C)c2=O)CC1 1690140046 JZVGHGIULNAMOK-UHFFFAOYSA-N 462.529 2.105 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(O)(c2c(F)cccc2F)CC1 1690174804 KMZSUJVSPYICPQ-MRXNPFEDSA-N 496.605 2.313 30 10 JEEE C#CCSCCn1c(COc2ccccc2OCC)nnc1N1CCN2C(=O)OC[C@H]2C1 1690185459 ZXTHJKLZUDQULW-QGZVFWFLSA-N 457.556 2.263 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCNC(=O)C1CC1 1690206626 WCHCOKZBICCFTC-HOYKHHGWSA-N 472.590 2.105 30 10 JEEE C=CC1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCN2CCC[C@H]2C(=O)N(C)C)CC1 1690414723 HWAAZVFWOYORRU-QFIPXVFZSA-N 468.650 2.485 30 10 JEEE C=CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C(=O)OC)CC1 1690454228 ZBYKNLQUOHQKNV-UHFFFAOYSA-N 476.603 2.440 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCCS1(=O)=O 1690565956 YSRLXBKXRHTFSV-PMACEKPBSA-N 478.640 2.340 30 10 JEEE C=CCN(CCc1ccco1)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(C)n(C)c1=O 1690604342 UGPIKEVVNHVWGI-UHFFFAOYSA-N 450.543 2.398 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCCN(C(=O)C2CC2)CC1 1690664339 PIWCMYSMZRMASK-UHFFFAOYSA-N 460.941 2.489 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1690676168 RQJWUOICHOLULK-RUZDIDTESA-N 468.602 2.023 30 10 JEEE COC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1)OC 1697756750 GMYYIPYISPALBT-UXHICEINSA-N 486.573 2.208 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2CCN2CCOCC2(C)C)c1 1705507783 KPJTZWHXRNHTSM-UHFFFAOYSA-N 487.608 2.431 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1CCOC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1705560458 HABBZCONSOKSTM-HBFSDRIKSA-N 488.610 2.262 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@H](C)CN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1705565963 KYIPVDXKJHXBTI-PZJWPPBQSA-N 470.643 2.397 30 10 JEEE C#CCN(c1nnc(CC)n1Cc1ccc(NC(=O)c2ccco2)cc1)[C@H]1CCS(=O)(=O)C1 1705570781 QUFMUQNRGSCBTQ-IBGZPJMESA-N 467.551 2.361 30 10 JEEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1705654323 DHKGYBIEBFQUHD-UHFFFAOYSA-N 492.627 2.470 30 10 JEEE C=C(Cl)Cn1c(N2CCN(c3nccnc3C#N)C[C@@H]2C)nnc1[C@]1(OC(C)C)CCOC1 1705760760 RFTBDFDOORKJLT-JTSKRJEESA-N 472.981 2.448 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCc2nccc(C(F)(F)F)n2)C1 1705913984 CUZLXIGRLLSPMI-AWEZNQCLSA-N 453.469 2.249 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H](n2cncn2)C1 1705931581 UMAIGVUNQWIAOS-OAHLLOKOSA-N 495.407 2.070 30 10 JEEE C=CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1705942007 DSBBKKYDUGRGSS-AEFFLSMTSA-N 477.612 2.203 30 10 JEEE C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CCC(=O)NC(C)(C)C 1706081141 BQYKVXQVVWSLNJ-JKSUJKDBSA-N 460.604 2.379 30 10 JEEE CCC[C@@H](C)C(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(C(C)=O)CC1 1709467039 FPYJBBDYRVGHKW-LJQANCHMSA-N 481.601 2.340 30 10 JEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCCCc1ccccc1)[C@H]1CCS(=O)(=O)C1 1722359102 PYHXWJVSEBJYBK-NRFANRHFSA-N 469.611 2.164 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](c1cccc(C)c1)N1CCOCC1 1722370152 HUVBFUQVLLRJQK-HSZRJFAPSA-N 483.576 2.380 30 10 JEEE C#CCN1CCN(c2nnc(CCN3CCN(c4ccccc4)CC3)n2C[C@@H](C)SC)CC1 1722442310 YHOPJFZXAQCNSZ-JOCHJYFZSA-N 467.687 2.150 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1722519704 PNHSSXCYYFVZLN-GHTZIAJQSA-N 459.616 2.472 30 10 JEEE C=C(C)COCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCN(C(=O)NC)CC1 1722532811 XAZLJYFHHPQAHK-UHFFFAOYSA-N 494.600 2.119 30 10 JEEE C=CCN(CC=C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(C)(C)C(=O)NC 1722665553 NNQQTTPUQONPRC-UHFFFAOYSA-N 459.620 2.497 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(c2ncc(F)cn2)CC1 1722702466 OKUJJYKKMBHXNN-UHFFFAOYSA-N 480.548 2.032 30 10 JEEE CS(=O)(=O)NC[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nccn2C(F)F)C1 1731014412 IBEMYJMCCNLYPQ-INIZCTEOSA-N 490.540 2.222 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H](c1ccccc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1740623448 UCTLMSXBLMFYFA-FKBYEOEOSA-N 471.627 2.449 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CCO[C@@H]1CCCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1740626491 VDSQDCCZPJMCKE-ILWGZMRPSA-N 471.627 2.486 30 10 JEEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1740647137 OMEJHNDVHVZJCH-OFNKIYASSA-N 497.562 2.435 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN1CCC[C@H]1C 1740652699 KGCQLMXNQFLCCR-LJQANCHMSA-N 453.616 2.185 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1csc(-c2ccco2)n1 1740655911 GGQYBHBLHWLLAI-MRXNPFEDSA-N 455.565 2.408 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2CC(C)(C)C(=O)NCC)CC1 1740704258 MOBGAFBPDMQCOU-UHFFFAOYSA-N 454.550 2.212 30 10 JEEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](c2ccc(F)cc2)C1 1740717024 HEYRDHMHKUREDS-QUCCMNQESA-N 493.630 2.110 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)[C@H]1CC 1740762805 GRCWZVLGKKFGRD-DWLFOUALSA-N 450.543 2.425 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccnc(C)n2)CC1 1740851006 OIAGDFCZMRXAGB-SFHVURJKSA-N 459.620 2.208 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)[C@H]1CCCc2c1cnn2C 1740953923 VYPAPBOVBYUBIK-SFHVURJKSA-N 450.503 2.403 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](CC(N)=O)C1 1740968594 LGLGZOYQSPGYCN-GOSISDBHSA-N 452.559 2.219 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCN2CCOC[C@@H]2C)C1 1740973885 GQUSQRDBKRJCEO-ICSRJNTNSA-N 457.575 2.464 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2CC(=O)N(C)CC)C1 1740974833 QACDISOALGGWKO-HNNXBMFYSA-N 451.369 2.306 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1740975594 PRXHJQQWMVWZBE-KFGJJWJMSA-N 459.510 2.124 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(OC(C)C)nc2)C1 1740981029 NLGBCHYJWAFJKQ-RTBURBONSA-N 461.588 2.192 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@](C)(O)c1ccc(F)cc1 1741929671 AFZJEGJZBYSHAX-RVHYNSKXSA-N 464.567 2.065 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(SC)cc1 1748670850 CWRQKLJSLJTHFS-LPHOPBHVSA-N 463.629 2.034 30 10 JEEE C#CCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1748739914 LJKRHSXZUDXVGQ-UHFFFAOYSA-N 473.581 2.170 30 10 JEEE C#CCCCn1c(-c2ccccc2F)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1748744156 UGSQOSKXZWJGRX-GOSISDBHSA-N 461.563 2.128 30 10 JEEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 1748747472 IGYUSMJXGCDFHL-GOSISDBHSA-N 458.925 2.398 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@]1(C)CCCO1)[C@@H]1CCS(=O)(=O)C1 1748807886 DAGJTVMSZHTWDG-WIYYLYMNSA-N 459.528 2.049 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccc(OCC(F)(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 1748817751 PSWFZAICQWDFHP-ZWKOTPCHSA-N 498.527 2.398 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1CCN1CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1748820484 CNODGKCLZGBNOS-LEWJYISDSA-N 471.627 2.277 30 10 JEEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1CCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1748821648 RZQKGXSAQKICAX-NRFANRHFSA-N 471.627 2.196 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC(=O)NCC(F)(F)F 1748869189 XWVNRWUEVBYHOR-UHFFFAOYSA-N 455.444 2.477 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H](c2cccs2)N(C)C)CC1 1748979613 GXFAVQDRLQBDJA-OAQYLSRUSA-N 498.678 2.468 30 10 JEEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1749039927 FWCFUANNDKUIHZ-UHFFFAOYSA-N 464.599 2.064 30 10 JEEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1749210328 HMVUAPKVUDBSPJ-HXUWFJFHSA-N 480.573 2.237 30 10 JEEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1749235529 SMWIKCWREMZDBA-INIZCTEOSA-N 462.576 2.139 30 10 JEEE C=CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCNC(=O)[C@@H]1CC 1749390563 GYUXTFGJPYYZOT-IBGZPJMESA-N 460.604 2.267 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1NC(=O)CC1(C)C 1749547370 PGVKOURADMCDRD-MJGOQNOKSA-N 475.590 2.427 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(NC(C)=O)nc1 1749591551 UTODLFFLNMSXKF-IBGZPJMESA-N 484.582 2.410 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[C@H](N2CCCC2=O)C1 1749651923 BWAFDBIXTLXFFZ-SJORKVTESA-N 456.522 2.061 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1749680214 HEYXEDLMLOMIHF-GAJHUEQPSA-N 459.522 2.073 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2C[C@H](C)O[C@H](C(F)(F)F)C2)nnc1[C@]1(OC(C)C)CCOC1 1749739965 ONLIYVPGWAOOCB-BXWFABGCSA-N 496.552 2.076 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1cccnc1OC 1760101316 NEXZAGLXTPAGGM-OAHLLOKOSA-N 453.572 2.456 30 10 JEEE C#CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC1(CS(C)(=O)=O)CC1 1760172796 ZRISBOWNVDMXJU-UHFFFAOYSA-N 465.620 2.287 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1CCc1c(OC)cc(OC)cc1OC)[C@H]1CCS(=O)(=O)C1 1760182356 IYUIWSBLOWRQJA-KRWDZBQOSA-N 490.626 2.471 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1CC1(SC)CCOCC1)[C@H]1CCS(=O)(=O)C1 1760184257 HZIJOEIMMJAJFM-SFHVURJKSA-N 490.651 2.493 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1nccn1C(F)F 1760203783 PUEWZNMOULDJBS-INIZCTEOSA-N 475.500 2.299 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1Br 1760210831 XNNXGGAWOGYNNJ-OAHLLOKOSA-N 464.389 2.162 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1nccs1 1760250195 XDTWVWFKMSBZID-QGZVFWFLSA-N 476.603 2.372 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@](C)(O)CC)CC1 1760267739 YBEWGWRPSWICIL-DEOSSOPVSA-N 455.559 2.089 30 10 JEEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1760284300 KPBGLYYWHACOFK-KRWDZBQOSA-N 452.588 2.205 30 10 JEEE C#CCSCCn1c(COc2ccccc2OC)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1760285659 MZGDBQAGUJHWMV-JOCHJYFZSA-N 457.556 2.263 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@]1(O)CCN(C)C1 1760330137 TZEGELLZTHYPKM-JOCHJYFZSA-N 461.636 2.016 30 10 JEEE C=CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1760509499 KVZOYQSBCNSPQY-UHFFFAOYSA-N 485.614 2.159 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@H](C)O[C@@H](CC)C1 1760517417 LQQUDILEYKMEQU-RDJZCZTQSA-N 459.547 2.277 30 10 JEEE CCO[C@@]1(c2nnc(N3CCN(c4cc(C#N)ccn4)CC3)n2C[C@H](CC(C)C)N(C)C)CCOC1 1767472364 DUEYHSFEHADSBP-NVQXNPDNSA-N 496.660 2.500 30 10 JEEE COc1cc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H](C)CN2CCOCC2)cc(OC)c1OC 1769816807 GGYSBECMOWHZFW-OSPHWJPCSA-N 488.564 2.381 30 10 JEEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccc(F)cc1F 1862606882 BTNRZFXLIIBCRR-FQEVSTJZSA-N 458.417 2.450 30 10 JEEE CCOC(=O)c1ccc(N2C[C@@H](C(=O)Nc3c(C#N)nnn3-c3ccc4nc[nH]c4c3)CC2=O)cc1 1870151261 QNYUXGSTSCBRGX-HNNXBMFYSA-N 484.476 2.184 30 10 JEEE N#Cc1c(NC(=O)COc2ccc(S(=O)(=O)N3CCC(C(N)=O)CC3)cc2)sc2c1CCC2 1872720653 NGQKZRMFDMQIEW-UHFFFAOYSA-N 488.591 2.012 30 10 JEEE COc1ccc(N2C[C@@H](c3nnc(SCCO)n3/N=C/c3ccc(C(=O)O)cc3)CC2=O)cc1 1874198169 QLVVOJPUTAGUSK-PDERCVKFSA-N 481.534 2.472 30 10 JEEE Cc1cc(CNC(=O)[C@H]2SCC(=O)N(C(C)C)[C@H]2c2ccc(C#N)cc2)nc(N(C)C)n1 1889366234 SLOCYLQHXRSGEA-SFTDATJTSA-N 452.584 2.433 30 10 JEEE Cc1nn(Cc2ccccc2)c(C)c1S(=O)(=O)N1CCC[C@H](Oc2nccnc2C#N)C1 1891809067 BHGXKQMOCSBFQU-IBGZPJMESA-N 452.540 2.442 30 10 JEEE C#CCNC(=O)C[S@@](=O)C(C)(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 2019026375 KAZBSCZPBJHVNU-GMWXTNTRSA-N 482.558 2.255 30 10 JEEE CO[C@H](C)[C@@H](CC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2124538472 KDAJFJALGPNACA-UKRRQHHQSA-N 450.345 2.033 30 10 JEEE CC1(C)OB(c2ccoc2C(=O)N[C@H]2CCOC[C@@H]2NC(=O)OCc2ccccc2)OC1(C)C 2255650495 ZSNYGIWGEGIIHQ-OALUTQOASA-N 470.331 2.393 30 10 JEEE C[C@@H](CNC(=O)OC(C)(C)C)NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2255747279 IGEVUPPASJXJPR-ZDUSSCGKSA-N 458.361 2.316 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@](C)(CO)NC(=O)OC(C)(C)C)s1 2255861176 AFORMXKGTXVVLR-OAQYLSRUSA-N 454.398 2.361 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1CCN1S(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2255950705 SDBQLTXRLMGWPY-OAHLLOKOSA-N 452.382 2.274 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](C(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)cs1)C1COC1 2256639823 PZKYMUGTBIXLHG-MRXNPFEDSA-N 452.382 2.203 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)c(Cl)c2)C1 2267402920 GOWGCXKMXKXHTE-IAGOWNOFSA-N 466.771 2.349 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](OCCNC(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)C1 2267487412 RJILTWCJFMZDHF-CQSZACIVSA-N 467.397 2.198 30 10 JEEE Cn1cc(C(=O)N[C@@H](CNC(=O)OCc2ccccc2)C(F)(F)F)c(B2OC(C)(C)C(C)(C)O2)n1 2267518205 AYDUYKMVFUUDND-INIZCTEOSA-N 496.295 2.306 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@H](CCNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)C1 2267558539 CZMYCYVLFNEBHN-OAHLLOKOSA-N 450.341 2.335 30 10 JEEE CN(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1sccc1B1OC(C)(C)C(C)(C)O1 2268642019 DAPKHDGMSLEHOS-MRXNPFEDSA-N 467.441 2.461 30 10 JEEE C[C@@H]1C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2268710439 IELMAMSQZFJMIP-MCIONIFRSA-N 466.413 2.479 30 10 JEEE CC(C)(C)OC(=O)N1CC(C2CC(C(=O)N=c3nc(B4OC(C)(C)C(C)(C)O4)[nH]s3)C2)C1 2272262108 ZUZFAUCQBHCDJK-UHFFFAOYSA-N 464.397 2.091 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1COC[C@@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2281770840 AANPCLGZWPZFJC-QAPCUYQASA-N 464.343 2.394 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@H]2CN(C(=O)[C@H]3C[C@H](B4OC(C)(C)C(C)(C)O4)C3)CCN2C1=O 2281951997 QFABEZCIYCAQSX-QAETUUGQSA-N 463.384 2.195 30 10 JEEE CC(C)(C)OC(=O)N1CC2(CCOCCN2C(=O)c2occc2B2OC(C)(C)C(C)(C)O2)C1 2282038783 MSFVGBXVQMLNDU-UHFFFAOYSA-N 462.352 2.431 30 10 JEEE CC(C)(C)OC(=O)N[C@]12C[C@H]1CN(S(=O)(=O)c1ccc(B3OC(C)(C)C(C)(C)O3)c(F)c1)C2 2282328579 ZOFZQSSBJWSWQS-FPTDNZKUSA-N 482.383 2.413 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CN(S(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C(C)(C)C1 2282353534 HYQMKIPZGGRUDY-MRXNPFEDSA-N 481.424 2.447 30 10 JEEE Cc1c(C(=O)N[C@](C)(CNC(=O)OC(C)(C)C)C2CC2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282555655 WRIAQDDAWPZAQD-HSZRJFAPSA-N 462.400 2.451 30 10 JEEE Cn1ncc(C(=O)N2[C@H]3CC[C@H]2[C@H](CNC(=O)OC(C)(C)C)C3)c1B1OC(C)(C)C(C)(C)O1 2282571290 ASRMOBDXLKEJMV-ZOBUZTSGSA-N 460.384 2.237 30 10 JEEE CC1(C)OB(c2cc(C(=O)Nc3cccc4c3CCN4C(=O)C(F)(F)F)[nH]n2)OC1(C)C 2282580586 VXEAGQFITWIHGI-UHFFFAOYSA-N 450.226 2.413 30 10 JEEE C[C@H]1CN(C(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1CCNC(=O)OC(C)(C)C 2282584056 BAXXJJKVISLEPY-HOTGVXAUSA-N 462.400 2.342 30 10 JEEE Cc1cc(C(=O)N2C[C@H](NC(=O)OC(C)(C)C)[C@@H]3COC[C@@H]32)oc1B1OC(C)(C)C(C)(C)O1 2282585975 SFTOQWDXKCNUJU-JYJNAYRXSA-N 462.352 2.251 30 10 JEEE Cc1nn(C)c(C(=O)N2[C@H]3CC[C@H]2CN(C(=O)OC(C)(C)C)C3)c1B1OC(C)(C)C(C)(C)O1 2282586306 XAPAXMRRBCJRHP-HOTGVXAUSA-N 460.384 2.252 30 10 JEEE Cc1cc(C(=O)N2C[C@@H](O)C[C@H](NC(=O)OC(C)(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2282697109 MDNLWHPJFOHXQQ-ROUUACIJSA-N 460.380 2.394 30 10 JEEE CN1CCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)[C@@H](CNC(=O)OC(C)(C)C)C1 2282699420 JWPULNASBPIEJR-IBGZPJMESA-N 459.396 2.267 30 10 JEEE C[C@@H]1C[C@H](NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)nn2C)CCN1Cc1ccccc1 2282859204 JJPSTPDPXRCXHX-IEBWSBKVSA-N 474.436 2.051 30 10 JEEE CC1(C)OB(c2ccsc2S(=O)(=O)NCC2(O)CCN(Cc3ccccc3)CC2)OC1(C)C 2282863889 ALDYMKRPEIFEIF-UHFFFAOYSA-N 492.472 2.353 30 10 JEEE COC(=O)[C@@H](CC(=O)N[C@@H](C)c1nscc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2283927062 WFCOGLGAJVSWGR-GXTWGEPZSA-N 483.396 2.076 30 10 JEEE CO[C@H]1C[C@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)N(C(=O)OC(C)(C)C)C1 2283956855 MKAYPGJWWZPRLZ-GOEBONIOSA-N 465.331 2.483 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CC(C(=O)NCc2ccccc2B2OC(C)(C)C(C)(C)O2)=C[C@@H]1O 2284055816 ZROLBVADXRPZKC-OALUTQOASA-N 458.364 2.186 30 10 JEEE Cc1c(C(=O)NC[C@H]2[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2359277939 IKXYBHLRUPHGQI-XHSDSOJGSA-N 460.384 2.013 30 10 JEEE CC(C)(C)OC(=O)N[C@]1(C)CN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CC1(F)F 2361915304 FSENPRNQLRHENU-HXUWFJFHSA-N 468.310 2.150 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2C[C@@H](C)N(C(=O)OC(C)(C)C)C2)n1C 2362323447 DUQZFNMYKBWFBH-ZBFHGGJFSA-N 462.400 2.403 30 10 JEEE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1N(C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2362352058 BEXBUDIFWVEQOY-HZPDHXFCSA-N 462.400 2.437 30 10 JEEE Cc1nn(C)c(C(=O)N(C)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2F)c1B1OC(C)(C)C(C)(C)O1 2369668827 GCTAFKAGORUTDS-GJZGRUSLSA-N 466.363 2.057 30 10 JEEE COCCn1c2c(c(=O)[nH]c1=O)[C@H](c1ccc(NC(C)=O)cc1)C1=C(N2)c2ccccc2C1=O 20059164 ZVTVYHXRYSLXAD-GOSISDBHSA-N 458.474 2.306 30 10 JEEE Nn1c(N/N=C/c2cccc3ccccc23)nnc1SCC(=O)Nc1ccc2c(c1)C(=O)NC2=O 20912600 YLNBHGLGLNUUAZ-OPEKNORGSA-N 486.517 2.206 30 10 JEEE C=CCn1cc(/C=N/Nc2nc(SCCC(=O)NCc3ccc4c(c3)OCO4)n[nH]2)cn1 59832250 CDTNSYOZKZUUCE-LSHDLFTRSA-N 454.516 2.161 30 10 JEEE COCCn1cc(/C=N/Nc2nc(SCCC(=O)Nc3ccccc3NC(C)=O)n[nH]2)cn1 59887314 OPPRJUYXZGALDF-SRZZPIQSSA-N 471.547 2.173 30 10 JEEE CNC(=O)c1ccc(Oc2ccc(S(=O)(=O)[C@]3(C(=O)NO)CCC4(CCNCC4)C3)cc2)cc1 211183418 ZUZGJCNWNOCKEB-XMMPIXPASA-N 487.578 2.410 30 10 JEEE in-vitro N#Cc1cc(CN)ccc1-n1cnc(I)c1I 302368606 CEFZNMNFSHNEOE-UHFFFAOYSA-N 450.021 2.412 30 10 JEEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2C[C@H]3CCCC[C@@H]3N2C(=O)c2ccc(F)cc2F)CC1 522367470 FWASSPYLVIJWPE-WTNAPCKOSA-N 474.552 2.185 30 10 JEEE C[C@@H]1Oc2ccc(C(=O)C[S@](=O)CC(=O)Nc3sc4c(c3C#N)CCC4)cc2N(C)C1=O 586353210 VTRZSTFVRMFLIC-HHAIEFTPSA-N 471.560 2.422 30 10 JEEE Cc1ccc(C(=NNc2nc3c(c(=O)n(C)c(=O)n3C)n2CCCc2ccccc2)C(=O)O)cc1 606351486 FRWXUJMHRHQDRN-UHFFFAOYSA-N 474.521 2.276 30 10 JEEE C[C@@H]1C[C@@H]1c1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(Cc3ccccc3)c2=O)o1 610487517 OBCZUDRXJLZLLW-XLIONFOSSA-N 475.570 2.036 30 10 JEEE CC1(C)OB(c2cccc(NS(=O)(=O)CCCN3C(=O)c4ccccc4C3=O)c2)OC1(C)C 704305909 LRZABJKZLPEIDK-UHFFFAOYSA-N 470.356 2.414 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@@H](c3nnc(S)n3CC)C2)s1 1136710764 WQTVXZCUMFJUMU-CYBMUJFWSA-N 455.631 2.061 30 10 JEEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@](C)(C(N)=O)c2cccc(C(F)(F)F)c2)c1 1187537408 GTBVZPHNUSWWJH-LJQANCHMSA-N 455.458 2.300 30 10 JEEE C#CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1286337420 HIIKDMGRDBEZQB-IBGZPJMESA-N 471.631 2.265 30 10 JEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2nc(CC)ns2)CC1 1286357049 XRVDAOXUMXPXHF-UHFFFAOYSA-N 470.628 2.424 30 10 JEEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@H]1CCOC[C@H]1OC 1286369405 OQJFKUCJJUZATF-YLJYHZDGSA-N 450.543 2.186 30 10 JEEE C#CCN(C)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1C[C@@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1286379166 IWUQCUCEJHDVSK-AABGKKOBSA-N 469.590 2.234 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1nc(C)c(C)s1)[C@H]1CCS(=O)(=O)C1 1286396045 UYCKANGEKMRTOL-SFHVURJKSA-N 456.597 2.012 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@H]2CC(=O)N(CCOC)C2)CC1 1286471199 HMVQAUVBXZDUCS-GOTSBHOMSA-N 494.640 2.285 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCOC3)n2C[C@H]2N(C)CCCC2(C)C)n1 1286471644 PWNPFCJPJGCAMD-RBBKRZOGSA-N 469.634 2.385 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H](C)N(CC)C(=O)OC(C)(C)C)CC1 1286472861 LZGGCUGGOARTEH-CJFMBICVSA-N 490.649 2.331 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@H]2CCOC[C@@H]2OC)CC1 1286472889 WRIXHUHIQDCUGN-JQVVWYNYSA-N 457.550 2.364 30 10 JEEE C=C(Br)Cn1c(N2CCS(=O)(=O)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1286548305 NNWSQKSQBZJEPV-OKILXGFUSA-N 490.424 2.192 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C(=O)OC)CC1 1286548563 TUXMEDIHXWRERP-PKOBYXMFSA-N 454.531 2.296 30 10 JEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 1286606698 YONWVOONGFAAGQ-LJQANCHMSA-N 458.538 2.296 30 10 JEEE C=CCn1c(CCOc2ccccc2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1286776622 MXANIKUOXWGMNT-QHCPKHFHSA-N 454.619 2.317 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2ccc(F)cc2)CC1 1286824750 HYORXNBAFRAIPW-RXVVDRJESA-N 493.605 2.069 30 10 JEEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(OCCN3CCN(C)CC3)cc2)cc1 1294063781 CZRLBBKGDWMNIE-UHFFFAOYSA-N 458.584 2.029 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1oc(CC)nc1C)[C@@H]1CCS(=O)(=O)C1 1300492612 NWOLDCRIWBVOMU-QGZVFWFLSA-N 454.556 2.182 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1Cc1cccc(CN2CCO[C@@H](C)C2)c1)[C@@H]1CCS(=O)(=O)C1 1300495019 BMZYACBZBYYETF-XUZZJYLKSA-N 499.681 2.372 30 10 JEEE C#CCN(c1nnc(CN2CCCC2=O)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1)[C@@H]1CCS(=O)(=O)C1 1300500737 CPSPJMFRVCTGEP-BRWVUGGUSA-N 487.548 2.321 30 10 JEEE C#CCN(c1nnc(Cn2ccc3ccccc32)n1CCN(C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1300502451 USBRLLIPWMTYRH-OAQYLSRUSA-N 468.627 2.248 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1Cc1ccc(C)n(C)c1=O 1300657034 DQPJIFKOGDIGES-UHFFFAOYSA-N 457.538 2.477 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCS(=O)(=O)CC)CC1 1300684263 YSOYIJKZRBORRP-QGZVFWFLSA-N 466.007 2.261 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2CC2([S@](C)=O)CCC2)CC1 1300731683 SHKXHDVGPBHJCB-UMSFTDKQSA-N 487.601 2.263 30 10 JEEE C=C(Br)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1300823288 BKFNHZVQQNZHPP-KGLIPLIRSA-N 460.336 2.081 30 10 JEEE C=C(Br)Cn1c(N2CC[C@@H]3NC(=O)OC[C@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1300863255 MJPQQCZUCXTKOS-ZRGWGRIASA-N 470.368 2.162 30 10 JEEE C=CCN(CCOC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1301414855 KFZYPZFPQZWJLI-QHCPKHFHSA-N 462.616 2.431 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1301489949 HXBMCHXZCFGBLH-CALCHBBNSA-N 477.009 2.455 30 10 JEEE CC(C)CO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1303225142 BHXSBNZFYATJKQ-FPOVZHCZSA-N 472.615 2.350 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@H](c1cccs1)N(C)C 1303402003 CQTOTGPRDYLTRO-IBGZPJMESA-N 493.641 2.374 30 10 JEEE Cc1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCCC[C@H](S(C)(=O)=O)C2)n(C)n1 1304729687 FNZXOYSKJWYGKU-NRFANRHFSA-N 483.598 2.223 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCNC(=O)C1CCC1 1358885135 DMQFZSFTTXSIRT-MRXNPFEDSA-N 457.604 2.003 30 10 JEEE C#CCCCCn1c(Cc2ccccn2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1358914167 KEILJKPBSRQTHF-DEOSSOPVSA-N 465.646 2.299 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1Cc1ccc(C)nc1)[C@H]1CCS(=O)(=O)C1 1358958114 HWDVPMSEZJYICG-FQEVSTJZSA-N 451.552 2.332 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OC)c(Br)c1 1358984986 MGEVMURLFJNKTR-OAHLLOKOSA-N 494.415 2.171 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1C[C@H](C)N1CCN(c2ccccc2)CC1 1358991723 MKUUKUXPOAHJAI-QFIPXVFZSA-N 454.582 2.409 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCN(CCC)C1 1359003082 XQAGNCAHXUUCSM-LJQANCHMSA-N 458.632 2.387 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C/C=C\CC)CC1 1359041888 LMGNSNOTMULEDF-SREVYHEPSA-N 455.584 2.281 30 10 JEEE C=C(Br)Cn1c(C2CCC2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1359082409 HWWLBGZXNQWMKD-RDTXWAMCSA-N 451.413 2.443 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1359090130 VHTPVHWOMQRYFJ-FXAWDEMLSA-N 485.589 2.093 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)NC)CC1 1359103359 NIWYYIKWSDMJQY-DYESRHJHSA-N 458.538 2.439 30 10 JEEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](N2CCCC2=O)C1 1359122492 XOQLTEDGQUDDEW-QZTJIDSGSA-N 460.579 2.364 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCNC(=O)c2ccc(C)cc2)CC1 1359178762 AXWLWCFCOKBMPO-HXUWFJFHSA-N 457.600 2.321 30 10 JEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1359202796 BUKOHASPXHPSNQ-MSOLQXFVSA-N 498.650 2.071 30 10 JEEE C=CCCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1359205755 JMIBOVZZZOTDDQ-QGZVFWFLSA-N 458.950 2.014 30 10 JEEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1359219375 OZWCUXQZLQQTOV-GOSISDBHSA-N 471.587 2.002 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CC(F)(F)CO1 1359255578 DBYXNXHLHZNIRN-CRAIPNDOSA-N 480.541 2.377 30 10 JEEE C=CCn1c(-c2cc(F)ccc2Br)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1359284562 XOJJGOBUAOHILA-UHFFFAOYSA-N 493.381 2.014 30 10 JEEE C=CCOc1ccccc1Cn1c(C(C)C)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1359308869 AYLNCGNXUHWFTH-UHFFFAOYSA-N 466.586 2.286 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCN2CCCS2(=O)=O)C1 1359313479 MSRYGLDVVFHLJT-QZTJIDSGSA-N 479.578 2.374 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1359327570 FKJRDXMVGXFMMY-TYCQWZJGSA-N 476.599 2.424 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1359332194 RHLPFENZDZDHPO-SJORKVTESA-N 450.565 2.196 30 10 JEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1442352706 KTSNFLHRZWYNKR-PMPSAXMXSA-N 450.985 2.217 30 10 JEEE C#CCN(C(=O)N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O)[C@@H]1CCS(=O)(=O)C1 1470077798 ZKESBSCHAMRMMB-ZBFHGGJFSA-N 458.367 2.321 30 10 JEEE CC[C@@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCNC(=O)C(C)(C)C 1495773523 HYJYPBSTGGHUEG-SJORKVTESA-N 453.595 2.331 30 10 JEEE CO[C@H]1CCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccccc2C#N)CC1 1504469206 CUXNLFAOYZMTFQ-FPOVZHCZSA-N 451.575 2.430 30 10 JEEE C#CCN(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@@]1(O)CCS(=O)(=O)C1 1507608199 GOQWZTYBFKVAJH-NRFANRHFSA-N 460.556 2.432 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1CC1=CCCOC1)[C@H]1CCS(=O)(=O)C1 1507639283 KCESYVOSOPUMFZ-FQEVSTJZSA-N 456.568 2.139 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C(F)(F)F)cc2)CC1 1507731618 NHRCZKWQTSRQAQ-QGZVFWFLSA-N 467.517 2.003 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCCN(S(C)(=O)=O)CC1 1507802368 AEUDCYQCHFAMDR-XLIONFOSSA-N 480.660 2.087 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1507844833 QXRBIIBLLQGUEL-CQSZACIVSA-N 486.520 2.144 30 10 JEEE C=CCCOCCn1c(-c2cccn2C)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1507960184 MLTVPZFKSJPFKX-UHFFFAOYSA-N 455.607 2.011 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCOC2)n1CC1(O)CCS(=O)(=O)CC1 1508008651 QLIMUHTWKZFZSN-KRWDZBQOSA-N 466.629 2.366 30 10 JEEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)C1CCC(NC(C)=O)CC1 1508048561 TYTAMLDWTHYVGG-UHFFFAOYSA-N 460.604 2.265 30 10 JEEE C=CCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1508051980 NYVWOSNJLAPDOJ-IBGZPJMESA-N 454.531 2.305 30 10 JEEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 1508062135 PUHMMXAMGLNOBL-UHFFFAOYSA-N 486.623 2.357 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CCN(CC(F)(F)F)CC1 1508149278 TUELKITUQOHLPC-UHFFFAOYSA-N 491.511 2.281 30 10 JEEE CC(=O)N1CCC(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(CO)CC2)CC1 1508202222 GKILSHSQHGCIJW-UHFFFAOYSA-N 452.559 2.196 30 10 JEEE C[C@@H](CN1CCOCC1)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCOC(C)(C)C1 1510103926 FXVVPVFWKOFRLE-IBGZPJMESA-N 454.575 2.312 30 10 JEEE CCOC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N2CCOCC2)C1 1516631283 FTRKLTSJYQIOGB-HXUWFJFHSA-N 452.559 2.319 30 10 JEEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1539051744 GYBJKLVJNZOTGI-CYFREDJKSA-N 487.626 2.383 30 10 JEEE C#CCN(c1nnc(CCOc2ccccc2)n1C[C@@H]1CSCCS1)[C@H]1CCS(=O)(=O)C1 1539230137 KQYIYVKXQQILIQ-AZUAARDMSA-N 492.692 2.375 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(Br)s2)n1CCS(=O)(=O)CC 1539399524 NYBPJNUWDUNWIQ-UHFFFAOYSA-N 461.407 2.290 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC2(C(N)=O)CCCC2)CC1 1539489999 QFPVPYYBWZVNII-WOJBJXKFSA-N 484.645 2.208 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H](CC)OC)CC1 1539490133 RZTHROTYDMDRES-HSALFYBXSA-N 488.633 2.440 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1cc(C)cc(C)c1 1539556743 HSKDJWQKJVEEMS-ZJSXRUAMSA-N 487.626 2.299 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(Cn2nc(C)cc2C)n1C[C@@H](N1CCOCC1)C(F)(F)F 1539562717 BOPVHCUXIBCXOM-WIYYLYMNSA-N 465.524 2.395 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1539635093 FNBTWGRFXFOKSN-WIYYLYMNSA-N 463.579 2.071 30 10 JEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1539810670 CTYJUJVUEJACDK-ZWKOTPCHSA-N 450.967 2.393 30 10 JEEE C=CCn1c(-c2cc(F)ccc2Br)nnc1N1CCN(CC(=O)NCC)CC1 1540854558 POEGHBZARXXEJQ-UHFFFAOYSA-N 451.344 2.291 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CCO[C@@H](C#N)C1 1540865314 BPCGPNPCTBUDBO-ZDUSSCGKSA-N 465.739 2.392 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCN(CC(F)(F)F)C2)C1 1540881528 LQTDYRNBTSBSOT-IRXDYDNUSA-N 456.513 2.180 30 10 JEEE C=CC[C@H](C)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2OC)CC1 1543657423 YYCJIPSAYCCBQS-HNNXBMFYSA-N 457.980 2.043 30 10 JEEE CN(C)CC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](Cn2cccn2)C1 1552860988 FBNZUPPOEKIZRC-QFIPXVFZSA-N 478.601 2.418 30 10 JEEE COc1cc(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)C[C@H](C)C#N)ccc1Cl 1554748315 FHVUMQKQONRKJQ-ZIAGYGMSSA-N 454.984 2.389 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCC(=O)Nc1cccc(Cl)c1C 1587561092 BASZUMQPXJODIV-UKRRQHHQSA-N 466.995 2.337 30 10 JEEE C#CCCCn1c(CCc2ccccc2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1587872705 QPKYETYQHYNRNL-JOCHJYFZSA-N 471.627 2.108 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1ccccc1OC)[C@H]1CCS(=O)(=O)C1 1588049482 HBCGNQLYKZKCIM-IBGZPJMESA-N 451.552 2.332 30 10 JEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1Cc1cc(C)on1)[C@H]1CCS(=O)(=O)C1 1588059180 JSXHCPRROBMBMB-IBGZPJMESA-N 459.959 2.494 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(C(=O)N3CCCC3)n2Cc2ccc(F)c(F)c2)n1 1588697484 SRFQFZMYFPPCMO-UHFFFAOYSA-N 483.523 2.323 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCCN2CCCO[C@H](C)C2)CC1 1588780747 WFXHCGGFJAIGJE-OAQYLSRUSA-N 482.629 2.218 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2CC2(S(C)(=O)=O)CCCC2)CC1 1588871577 INHRIBNLRZZIGC-UHFFFAOYSA-N 475.590 2.109 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@](C)(O)CCOC 1589216186 LJOJXWWKKNPEJL-GLYQVZKVSA-N 477.606 2.366 30 10 JEEE C=C(C)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1593666700 RBQPDTCRYLQATO-UHFFFAOYSA-N 479.589 2.200 30 10 JEEE C=C(C)COCCn1c(C(C)C)nnc1N1C[C@@H]2[C@@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1593696377 OOJKNDOOWDXGFF-SQNIBIBYSA-N 483.635 2.121 30 10 JEEE C=C(C)COCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](CC(N)=O)C1 1593747393 VQLZADQKEPMPAD-MOPGFXCFSA-N 492.621 2.271 30 10 JEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2CN(C(=O)OC(C)(C)C)C2)CC1 1594192454 IMKIQABQNROJRU-HNNXBMFYSA-N 468.624 2.158 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCN(Cc2cnc(C)s2)CC1 1595555813 HWMXBXSDMWSFSW-UHFFFAOYSA-N 481.626 2.267 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)Cc1cnn(C)c1C 1595761294 ZLXFDNSPAAPZEG-UHFFFAOYSA-N 485.614 2.426 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1595777985 UIORMNSPHAPENS-JKSUJKDBSA-N 452.920 2.313 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)N1CCN(CC)CC1 1690087367 VFSOJUBKLPXUHT-OAQYLSRUSA-N 481.620 2.319 30 10 JEEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2Cc2conc2COC)CC1 1690132297 NWOQWXJUJASWFQ-UHFFFAOYSA-N 450.543 2.412 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2Cc2ccc(OC(C)C)nc2)CC1 1690150619 OIFCWRWYVOSGOP-UHFFFAOYSA-N 473.581 2.460 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCc2nc(C)c(C)s2)CC1 1690153811 BQADUFFNBURLDP-FPOVZHCZSA-N 486.642 2.284 30 10 JEEE C#CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1690155118 GDCYCXVFXAFCLK-SJORKVTESA-N 475.958 2.342 30 10 JEEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCO[C@H](C(F)(F)F)C1 1690163611 LIYDYNBTBMGAJN-INIZCTEOSA-N 464.477 2.055 30 10 JEEE C=C(Br)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1690224116 BRHXXXLEWXCBMU-UHFFFAOYSA-N 472.391 2.372 30 10 JEEE C=C(C)COCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(CC(C)C)CC1 1690306030 MMGVPDSURVZYQW-UHFFFAOYSA-N 451.579 2.292 30 10 JEEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cc(C)cs1 1690313408 SPJPLGFWEFRLCS-SFHVURJKSA-N 469.633 2.210 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC(C)(C)C(=O)NC)C1 1690700188 OQISUYNRRJCLDH-ROUUACIJSA-N 492.621 2.140 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1690723065 GJMKFSUEGIGFTA-HXUWFJFHSA-N 484.630 2.374 30 10 JEEE N#CCC1CCN(c2nnc(-c3ccccn3)n2CCNS(=O)(=O)c2ccccc2)CC1 1698491583 GWYSIQJFLYYIAO-UHFFFAOYSA-N 451.556 2.449 30 10 JEEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1705510384 YPWGOLPKUKAFIJ-SJORKVTESA-N 466.629 2.410 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCN1CCC)[C@@H]1CCS(=O)(=O)C1 1705563613 AVIMUWCLSAZPFH-FCHUYYIVSA-N 466.611 2.318 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CCCCN1CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1705569237 FGLIBDRNSNMXPL-GMAHTHKFSA-N 484.670 2.403 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)(C)N1CCc2ccccc2C1 1705589824 WFUOTEHCXJEVDK-HXUWFJFHSA-N 482.654 2.188 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCCc1cnn(C)n1 1705595637 ACSJWKJXEFVHAU-UHFFFAOYSA-N 483.580 2.289 30 10 JEEE C=CCCOCCn1c(-c2cccc(C)n2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1705829315 NHDIFVFYDQKHKM-IBGZPJMESA-N 453.547 2.008 30 10 JEEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CCN1CCc2sccc2C1)C1CC1 1705849753 VGVLNRWIADRBLN-HNNXBMFYSA-N 450.634 2.163 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@@H](OCC)C1 1705895314 BKSGYIUEIVGYOU-OAHLLOKOSA-N 451.369 2.354 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@H]2C[C@H]1CO2 1705902405 DGTIKBMOURHEKR-SQNIBIBYSA-N 460.579 2.062 30 10 JEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1705946974 WLAFBWLWJIWJHO-CQSZACIVSA-N 466.551 2.447 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)c1ccccc1Cl 1706074708 COTSABYVCJWALK-SXGZJXTBSA-N 451.980 2.337 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2Br)n1CCCNS(=O)(=O)CC 1722287245 LEFWKXMUVZDAOC-CQSZACIVSA-N 454.394 2.495 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(OC)nc1 1722295775 MDSPBQFGHWEFSO-FUHWJXTLSA-N 456.547 2.496 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CCC(=O)N2CCCCCC2)c1 1722309031 ISXXSTJEYMYTFM-OAQYLSRUSA-N 491.596 2.078 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1722362365 ANYLGTOSYGTWSC-MRXNPFEDSA-N 482.404 2.089 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCSC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1722367723 NVMHCJMORPJTCH-KGLIPLIRSA-N 452.524 2.052 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@H](CC)OC)[C@@H]1CCS(=O)(=O)C1 1722369563 AYNUHOSLQCJNNH-SJORKVTESA-N 450.536 2.048 30 10 JEEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H](C)N1CCN(CC)CC1 1722398888 DSBDPDCSUHKUHJ-JOCHJYFZSA-N 458.614 2.006 30 10 JEEE C#CCN(CCOC)c1nnc(COc2cc(C)ccc2C)n1CC1CCS(=O)(=O)CC1 1722426665 FTALPXRLHFGNPD-UHFFFAOYSA-N 460.600 2.385 30 10 JEEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1722453739 AUJIIRUUCOXFMW-HXUWFJFHSA-N 498.653 2.072 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1722475620 WHGRZRNDNWNGEK-DRSNIGMVSA-N 465.620 2.428 30 10 JEEE C=C(C)Cn1c([C@@H]2CCCCO2)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1722522513 TZZVIHRNSZBDIF-BDXSIMOUSA-N 481.619 2.222 30 10 JEEE C=CCN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CCS(=O)(=O)C1)C1CC1 1722654537 ZFYFHXRHTJDYKH-HTAPYJJXSA-N 481.619 2.055 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)NCc1ccco1 1722656904 LHFFNIUXKGHFDZ-HXUWFJFHSA-N 494.577 2.154 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCN(C(=O)OC)CC1 1722695437 COTIQDBHHXWBEA-UHFFFAOYSA-N 481.326 2.037 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1722730669 ZJPXLQGAZRWQHM-AUSIDOKSSA-N 476.599 2.151 30 10 JEEE C#CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC(N(C)C(C)=O)CC1 1740582966 JPXAPZHOSPVVRN-UHFFFAOYSA-N 471.631 2.407 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCCOC3)n2C[C@H]2CCO[C@@H](C)C2)n1 1740688492 GDYPUDXACAYMOD-PCCBWWKXSA-N 456.591 2.470 30 10 JEEE C=CCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCN(C(=O)OCC)CC1 1740948292 KQERXHVQHVVLFG-UHFFFAOYSA-N 453.591 2.107 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1740963888 AGIHCWFNTXFJHM-QQMNAOGKSA-N 459.522 2.071 30 10 JEEE CC(C)NC(=O)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)[C@@H](C)CC#N 1741700037 FRHWDAFLNBLXDI-INIZCTEOSA-N 450.547 2.499 30 10 JEEE C[C@@H](CN1CCOCC1)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1ccc(C#N)cc1 1741874754 AXGMFYWZMWLYQP-IBGZPJMESA-N 474.569 2.402 30 10 JEEE CCc1nc(CCn2c(-c3cccc(C#N)c3)nnc2N2CCN(CCOC)[C@H](C)C2)no1 1744464054 FUTSTJVIAAFTQC-QGZVFWFLSA-N 450.547 2.162 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CC[C@](C)(O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1748818722 DZQTUGQFJGJJMV-RDGATRHJSA-N 479.606 2.188 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(OCC)c(OC)c2)n1CCC(=O)N1CCOCC1 1748889395 IFIXPWBSJAXVIS-UHFFFAOYSA-N 465.554 2.064 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H]2CCN(CC)C2)CC1 1749006027 GGNIFKACAZOVLI-LJQANCHMSA-N 480.613 2.270 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC(C)C)C(C)C 1749131713 VACCECWHVKCYIG-AABGKKOBSA-N 469.652 2.463 30 10 JEEE C=CC[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCC(NS(C)(=O)=O)CC1)c1ccccc1 1749385144 NTEKWDSQLPFGJP-HXUWFJFHSA-N 486.642 2.278 30 10 JEEE C=CCCCn1c(C)nnc1N1C[C@H](NC(=O)OC(C)(C)C)C2(CCS(=O)(=O)CC2)C1 1749414599 DGKNQSMTPBELQH-KRWDZBQOSA-N 453.609 2.461 30 10 JEEE C=CCn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)Cc2cccc(OC)c2)CC1 1749604411 SFRDZAYBUFZMNL-UHFFFAOYSA-N 454.575 2.282 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1749655155 DNMPMNOUNOGCLL-MFKMUULPSA-N 477.285 2.494 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)c2ccsc2)CC1 1749656009 XCWMRJDUPSOYBY-UHFFFAOYSA-N 481.538 2.179 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC(O)(c2c(F)cccc2F)CC1 1749735218 PRHHKSFUCWTAHQ-MRXNPFEDSA-N 482.553 2.149 30 10 JEEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2nc(C)cc(OCC)n2)CC1 1760144075 CDOVZNVUQBWJDB-UHFFFAOYSA-N 475.557 2.163 30 10 JEEE C#CCN(c1nnc(CC)n1C[C@@H](C)Cc1ccc(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1760186073 KADDFVXBSVLYIM-PKOBYXMFSA-N 460.600 2.363 30 10 JEEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1CCCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1760188843 DJMCSSIDKFOZJY-KRWDZBQOSA-N 480.516 2.486 30 10 JEEE C#CCN(c1nnc(C2CCC2)n1Cc1cccc(NC(=O)OC)c1)[C@@H]1CCS(=O)(=O)C1 1760190320 ZSAWIJDKMMSGNS-LJQANCHMSA-N 457.556 2.399 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CN(CC(C)C)CCO1 1760240928 IJXNKPUXFIRQFS-FCHUYYIVSA-N 468.577 2.365 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@H]2CCO[C@@H]2C(C)C)CC1 1760272036 WQRRWIOYVHMUBK-FYYLOGMGSA-N 450.587 2.291 30 10 JEEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1760301705 HRGRUGWCIAYPDX-GJZGRUSLSA-N 484.399 2.485 30 10 JEEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CCOC)[C@@H](CC)C1 1760314398 WBGYFUKKJFKXRO-BZSNNMDCSA-N 472.428 2.458 30 10 JEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 1760510078 FPSPGDMRZCOJSV-LLVKDONJSA-N 477.431 2.118 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@@H](C)O[C@H](CC)C1 1760517416 LQQUDILEYKMEQU-NVXWUHKLSA-N 459.547 2.277 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1760527607 CADLPYOOLJVZTN-DFBJGRDBSA-N 469.586 2.496 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC[C@@H]2COCCO2)C1 1760535216 NBOIWKPBFDXHOD-WOJBJXKFSA-N 475.977 2.448 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@@H](C(=O)OC)C1 1760548283 CINFYXSRRXWWGG-JKSUJKDBSA-N 466.535 2.157 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 1760552165 FCYOGLPNAZBKFN-UHFFFAOYSA-N 456.528 2.355 30 10 JEEE CCC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCc2n[nH]c(C)n2)CCN1CCOC 1763957163 GXAMKRAENLBILM-NRFANRHFSA-N 463.590 2.423 30 10 JEEE CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCOC[C@H]2OC)CCN1CCOC 1765246213 DVKJACYBSZMPHA-DNVJHFABSA-N 468.602 2.415 30 10 JEEE CCNC(=O)C1(Cn2c(-c3cccc(C#N)c3)nnc2N2C[C@H](C)O[C@H](COC)C2)CCC1 1765608793 FKRLSRIZJKUBAA-PXNSSMCTSA-N 452.559 2.363 30 10 JEEE CCN(CC)CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(F)(F)F)CC1 1766652275 DESUHMOIFLFSSC-UHFFFAOYSA-N 479.507 2.281 30 10 JEEE COc1cc2cc(C#N)c(SCC(=O)N3CCN(c4ncccn4)CC3)nc2cc1OC 1858203254 XHCWQBNTJBXXII-UHFFFAOYSA-N 450.524 2.355 30 10 JEEE CC[C@@H](C)[C@@H](NC(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2cccc(C#N)c2)cc1)C(=O)O 1858977730 RUYFNHBYKFIFJW-FOIQADDNSA-N 486.550 2.018 30 10 JEEE C=CCNC(=O)[C@@H](Cc1ccc(OC(C)=O)cc1)NC(=O)c1ccc2c(c1)C(=O)N(C(C)C)C2=O 1861508470 PFGJYEJOGAUHIB-JOCHJYFZSA-N 477.517 2.260 30 10 JEEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1862685452 WXFCZCXXNVWDAB-FQEVSTJZSA-N 485.424 2.220 30 10 JEEE COC(=O)c1ccc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2CCCNC=O)cc1 1862755618 FLKWMEYWRDRMQK-IBGZPJMESA-N 467.434 2.096 30 10 JEEE COCCN(CCOC)C(=O)[C@H](CCSC)NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1 1868783498 RZQFYBFXTCAJLJ-PMACEKPBSA-N 496.699 2.384 30 10 JEEE C=CCN(CC=C)C(=O)[C@H](Cc1ccc(OC(C)=O)cc1)NC(=O)c1cc(C)cc(S(N)(=O)=O)c1 1869036041 ITPUELGJCKMQEC-QHCPKHFHSA-N 499.589 2.109 30 10 JEEE C#CCOc1cn(C[C@@H](O)c2ccc(Cl)cc2)c(CN2CCN(c3ncccn3)CC2)cc1=O 1870563641 JTBGSMUSZRASBE-HSZRJFAPSA-N 479.968 2.360 30 10 JEEE C=CCn1cc(OCC(=O)N2CCOCC2)c(=O)cc1CNc1ccc(CC)c([N+](=O)[O-])c1 1871034680 ZJSYTNNCRNBOFX-UHFFFAOYSA-N 456.499 2.355 30 10 JEEE C=CCn1c(C(=O)Nc2ccc([S@](=N)(=O)O)cc2)cc2c(NCCNC(C)=O)ncnc21 1873633912 LFCIGNOOHYNHIM-UHFFFAOYSA-N 457.516 2.296 30 10 JEEE CC[C@H](C#N)N1CCN(C(=O)[C@H](CC(=O)OCc2ccccc2)NC(=O)OC(C)(C)C)CC1 2124624203 SYQJCJWAJYDOSZ-UXHICEINSA-N 458.559 2.460 30 10 JEEE CC(C)(C)OC(=O)NC[C@H](O)CNC(=O)c1ccc(Cl)cc1B1OC(C)(C)C(C)(C)O1 2255543465 JIYLYBLLYYAVSF-CQSZACIVSA-N 454.760 2.255 30 10 JEEE COCCN(CCNC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2255650827 FMULBGKTUIBFEP-UHFFFAOYSA-N 455.386 2.056 30 10 JEEE Cc1ccc(S(=O)(=O)N[C@@H](C)CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2255745195 PGFMYPLSZFCCHZ-HNNXBMFYSA-N 454.398 2.486 30 10 JEEE Cc1cc(CNC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)O)sc1B1OC(C)(C)C(C)(C)O1 2256626868 OWQONERSJMXTAR-ZFWWWQNUSA-N 454.398 2.246 30 10 JEEE CN(Cc1csc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)[C@H](CO)CNC(=O)OC(C)(C)C 2256676475 XSEPVEQGFBNRDS-HNNXBMFYSA-N 454.398 2.139 30 10 JEEE CC(C)(C)OC(=O)N1CCC(F)(CNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CC1 2267142760 YQCRSTALIXDZNE-UHFFFAOYSA-N 452.336 2.178 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCc1csc(NC(=O)OC(C)(C)C)n1 2267183198 DQERNDAKXAOPLP-UHFFFAOYSA-N 463.369 2.453 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H]1CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2267352295 JRXXMIYRNMRGQJ-AWEZNQCLSA-N 470.372 2.413 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2267454321 TYDXDKLQXNWUNW-DLBZAZTESA-N 450.316 2.147 30 10 JEEE CCCN(CCNC(=O)OC(C)(C)C)C(=O)c1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C 2267493291 HTKRFUMGLFXBPH-UHFFFAOYSA-N 450.389 2.405 30 10 JEEE C=C(CS(=O)(=O)N1CCC[C@H]2CC[C@]21CNC(=O)C(F)(F)F)B1OC(C)(C)C(C)(C)O1 2267722158 IQWMUNHLINNQBW-KSSFIOAISA-N 466.331 2.427 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@H](C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)O1 2268711528 MKYCGCMHHYHCFN-UONOGXRCSA-N 467.397 2.131 30 10 JEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CCNc2cccc(B3OC(C)(C)C(C)(C)O3)n2)C1 2281490355 SLMMUMDZJODPLY-INIZCTEOSA-N 481.424 2.217 30 10 JEEE Cn1nc(C(=O)N2C[C@H]3CN(C(=O)OC(C)(C)C)CC[C@H]3C2)cc1B1OC(C)(C)C(C)(C)O1 2281961521 NKKXLIGVNBRUEZ-JKSUJKDBSA-N 460.384 2.048 30 10 JEEE Cc1cccc(C(=O)N2C[C@H](O)C[C@@H]2CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2282124479 JJQWMZKWXWSCDK-IAGOWNOFSA-N 460.380 2.394 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O 2282135151 ALACLTQJRDWLLP-QFBILLFUSA-N 460.380 2.252 30 10 JEEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H](NC(=O)OC(C)(C)C)CCC1(C)C 2282189702 BUHNAVNVLPTKIN-CQSZACIVSA-N 463.388 2.022 30 10 JEEE C=C(CS(=O)(=O)N1CC[C@H](N2CCN(Cc3ccccc3)CC2)C1)B1OC(C)(C)C(C)(C)O1 2282417039 DYEDLJPMBOHFON-QFIPXVFZSA-N 475.464 2.396 30 10 JEEE CC1(C)OB(c2scnc2CS(=O)(=O)N2C[C@H]3CCN(Cc4ccccc4)[C@H]3C2)OC1(C)C 2282493025 RGYWCERGFQMIIR-QUCCMNQESA-N 489.472 2.478 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@@H](CNC(=O)OC(C)(C)C)C2(C)C)n1 2282549386 JQWKRKHSYNLTMY-HNNXBMFYSA-N 462.400 2.485 30 10 JEEE Cn1cc(C(=O)N2CCC[C@H]3[C@H]2CCN3C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2282577190 BDFHMESZWMNVDA-DLBZAZTESA-N 460.384 2.333 30 10 JEEE Cc1c(C(=O)N[C@]23CCN(C(=O)OC(C)(C)C)C[C@@H]2C3)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282581922 OVECYKLDPFJOCU-WNSKOXEYSA-N 460.384 2.157 30 10 JEEE Cc1nn(C)c(C(=O)N2C[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)c1B1OC(C)(C)C(C)(C)O1 2282583153 GCFHRSTUYOROAW-BGYRXZFFSA-N 450.392 2.232 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(C)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 2282589452 NYLFPDSYFNLMTJ-MRXNPFEDSA-N 462.400 2.357 30 10 JEEE C[C@H]1CN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C[C@@H](C)CN1C(=O)OC(C)(C)C 2282624495 MMYWFIWNUMWMAZ-CVEARBPZSA-N 460.384 2.493 30 10 JEEE Cn1nc(C(=O)N2C[C@H]3C[C@@H](CN(C(=O)OC(C)(C)C)C3)C2)cc1B1OC(C)(C)C(C)(C)O1 2282629702 ZCFMFFKAPAZEAG-HZPDHXFCSA-N 460.384 2.048 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@]2(C[C@H](NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)c[nH]3)CO2)C1 2282634966 SOOQBUHSGKFMEP-QMHKHESXSA-N 461.368 2.212 30 10 JEEE CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)NCCN2C(=O)[C@H]1C[C@@H]1B1OC(C)(C)C(C)(C)O1 2282637038 UBMZQODLARPCCV-HOTGVXAUSA-N 463.384 2.197 30 10 JEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CCCN(C(=O)OC(C)(C)C)C2(C)C)n1 2282659615 NRWHAXOSEJAUMK-AWEZNQCLSA-N 463.388 2.022 30 10 JEEE CO[C@H]1C[C@H](C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)CN(C(=O)OC(C)(C)C)C1 2283937629 WSDUAPVLNKZXRY-GJZGRUSLSA-N 481.424 2.331 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCCN(CC(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C1 2283952994 NZSKUDXDNBTXRB-OAHLLOKOSA-N 480.440 2.048 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@H]1C(=O)N1Cc2cccc(B3OC(C)(C)C(C)(C)O3)c2C1 2283969862 KFDJSGKUKCVYSK-IEBWSBKVSA-N 458.364 2.368 30 10 JEEE C=CCN(CC(=C)B1OC(C)(C)C(C)(C)O1)C(=O)[C@]1(NC(=O)OC(C)(C)C)CCS(=O)(=O)C1 2284065122 CVIOEOQVBNHVDI-QFIPXVFZSA-N 484.424 2.271 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N[C@H]1COCCN(C(=O)OCc2ccccc2)C1 2285206963 RLLTUVLDWDFWDC-OAQYLSRUSA-N 495.385 2.457 30 10 JEEE COC(=O)[C@@H](CS(=O)(=O)Nc1ccc(Cl)c(C#N)c1)NC(=O)OCc1ccccc1 2286037754 CUEXKLRKPJWZDS-QGZVFWFLSA-N 451.888 2.421 30 10 JEEE CCCOc1c(C=NNc2cnn([C@@H]3CCS(=O)(=O)C3)c(=O)c2Cl)cccc1OC 2322614660 MCZKQBVSMJMLHG-CQSZACIVSA-N 454.936 2.500 30 10 JEEE CCOc1ccc(C=CC(=O)[C@H]2C[C@@H](NC(=O)CN3C(=O)c4ccccc4C3=O)CCN2)cc1 2328074866 SQDOYNVERGJHRM-PGRDOPGGSA-N 461.518 2.201 30 10 JEEE COCC1(Oc2ccc(B3OC(C)(C)C(C)(C)O3)c(OC)n2)CN(C(=O)OC(C)(C)C)C1 2339824723 OKRPEFBZQCZAQV-UHFFFAOYSA-N 450.341 2.404 30 10 JEEE CN(C(=O)OC(C)(C)C)[C@@H]1CN(C(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CC1(C)C 2361506527 OITIJURMKXREEJ-MRXNPFEDSA-N 462.400 2.437 30 10 JEEE Cc1ccc(C/N=C(\Nc2ccc(C(=O)O)cc2)N2CCN(CC(=O)N3CCOCC3)CC2)cc1 21047199 CMAGAKWKUXOGSI-UHFFFAOYSA-N 479.581 2.138 30 10 JEEE CCCCCCCOc1ccc(C(=O)NC(=S)N2CCNC(=O)[C@H]2CC(=O)OCCOC)cc1 100172318 VWCSLHMEHHLYFD-HXUWFJFHSA-N 493.626 2.431 30 10 JEEE CCOc1ccc([C@H]2/C(=C(/O)c3ccco3)C(=O)C(=O)N2CCN2CCOCC2)cc1OC 102529104 MJXSLKFHXXXKGB-AGGMBTAESA-N 456.495 2.441 30 10 JEEE CC(C)(C1=N[C@@](C)(C(=O)O)CS1)[C@H](O)[C@@H]1CS[C@H]([C@H]2CS/C(=C3\C=CC=CC3=O)N2)N1 136507500 CARQCAHMXWHUIE-PSJLMKLSSA-N 481.665 2.005 30 10 JEEE C=CCOC[C@H](O)CN1CCO[C@@H](CN(CCOC)C(=O)c2cccc(C(F)(F)F)c2)C1 169678735 KTZZLROBJVRCLU-WOJBJXKFSA-N 460.493 2.058 30 10 JEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)c(F)c2)c(=O)n1-c1ccccc1C#N 519288476 HAQKSWXOBOCLHO-UHFFFAOYSA-N 464.909 2.368 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)C[S@](=O)CC(=O)Nc3cc([N+](=O)[O-])ccc3C)cc21 586311929 CHQUPFLGLDDBJG-XIFFEERXSA-N 471.491 2.385 30 10 JEEE CCCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccc(C#N)c(Cl)c1 729672634 ZGBKXYZCBBBULY-UHFFFAOYSA-N 488.960 2.101 30 10 JEEE C=CCn1cc(C=NNc2nnc(SCC(=O)Nc3ccccc3Br)n2N)cn1 1084318565 KPONPQHWYIPHCD-UHFFFAOYSA-N 476.364 2.314 30 10 JEEE NCCSCC/N=C(/Nc1ccc2c(c1)OCO2)N1CCC2(CC1)C(=O)NCN2c1ccccc1 1088709963 JAIHZSPKMSSMHI-UHFFFAOYSA-N 496.637 2.304 30 10 JEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2ccc(F)cc2F)C1 1286349964 RLUKUMMRTFJPJZ-BEFAXECRSA-N 450.511 2.450 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1CCC[C@@H](O)C1)[C@H]1CCS(=O)(=O)C1 1286388347 NQTYKIKYMIZBBK-YZGWKJHDSA-N 488.610 2.140 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H](Cc1ccccc1)OC)[C@@H]1CCS(=O)(=O)C1 1286393526 LIONUHPUYIYTFZ-YPAWHYETSA-N 472.611 2.057 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H](C)N1CCN(CC)CC1 1286426328 RRVLEYBGIDIMJQ-HXUWFJFHSA-N 472.597 2.083 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nnc(C)s1 1286457853 FEWJORDSFFLJHU-MRXNPFEDSA-N 460.560 2.167 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@@H](COC)OC)CC1 1286473952 WQGRDVVYHQOWEL-INIZCTEOSA-N 466.355 2.263 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2CC2(COC)CCOCC2)CC1 1286492613 NNCQBXVOXYFPCW-UHFFFAOYSA-N 499.587 2.405 30 10 JEEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1286511038 FVAREKVPLPGCTO-RTWAWAEBSA-N 457.648 2.053 30 10 JEEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1286603996 MHLFAIBNASGDKO-UHFFFAOYSA-N 475.981 2.160 30 10 JEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCN(Cc2csc(C)n2)CC1 1286611028 FUOOEYZLSXDVSW-UHFFFAOYSA-N 459.620 2.080 30 10 JEEE C=C(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C)c1ccccc1 1286616644 AOGAVFMUYHEDEI-SJBKTWHCSA-N 488.658 2.243 30 10 JEEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)c2cccc(F)c2)CC1 1286709700 BJEASPHYELCSOH-HXUWFJFHSA-N 470.549 2.314 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CCN(C2CCOCC2)CC1 1286779851 NRUMIZJMICZPGX-UHFFFAOYSA-N 489.418 2.311 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H]2COCCO2)C1 1286798577 LMSNVDRSTDQSLK-RTBURBONSA-N 461.950 2.058 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 1286824169 VTFHOALCMVAWFU-NRFANRHFSA-N 486.646 2.395 30 10 JEEE CC[C@H](C)N(C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2C#N)CC1 1291773044 DXISHRZIGFCVEZ-FPOVZHCZSA-N 485.658 2.109 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H](c1ccc(F)cc1)N(C)C 1292133184 GHVYFBUVAPKJHZ-VQTJNVASSA-N 457.554 2.367 30 10 JEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(c2cnn(CC)c2)CC1 1300364923 OSJRYBSASVTDNJ-OAQYLSRUSA-N 489.646 2.015 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1CCc1ccccn1)[C@@H]1CCS(=O)(=O)C1 1300489609 QCFZJZIZGGKRMA-HXUWFJFHSA-N 481.578 2.227 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1cnn(CC(C)C)c1C)[C@H]1CCS(=O)(=O)C1 1300498567 LUBHEPCLIXNHBS-QFIPXVFZSA-N 481.626 2.100 30 10 JEEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1cn2cc(Cl)cc(Cl)c2n1 1300545557 RSUXEYSXVOIUPQ-UHFFFAOYSA-N 456.337 2.476 30 10 JEEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCc1cccc(C(N)=O)c1 1300602976 MFFQOICDFVNBRO-UHFFFAOYSA-N 479.610 2.348 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(N(C)C)nc1 1300672097 VTQXDDBHWDSTIM-HXUWFJFHSA-N 499.616 2.182 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2CCc2cccc(C(=O)NC)c2)CC1 1300711373 AMRMIASTPNDFRA-GOSISDBHSA-N 450.587 2.360 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4ccccc4n3)n2CC(=O)NCC(F)(F)F)CC1 1300719243 SXSNUJGHIPXSTM-UHFFFAOYSA-N 499.497 2.138 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CCC(NS(C)(=O)=O)CC1 1300869137 JWMOALKPKXTVAU-WIYYLYMNSA-N 475.615 2.453 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1301480605 BJHSUDINXVFIDX-SFHVURJKSA-N 490.543 2.453 30 10 JEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1 1301508780 URWBINCBXPFBRS-QFIPXVFZSA-N 456.547 2.173 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(F)cc3Br)n2CCNS(C)(=O)=O)C1 1301546561 TVPWFGSSVOKLMH-AWEZNQCLSA-N 488.383 2.177 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@H]2CCC(=O)N2)C1 1301558238 UKLOSDYSBNJOJP-RTBURBONSA-N 474.606 2.453 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CC=C(C(F)(F)F)CC1 1301568830 YJENCWMJWLTZTB-UHFFFAOYSA-N 470.477 2.225 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@@](C)(OC)C1 1301587327 YPHQKLXONHVPGB-JOCHJYFZSA-N 472.571 2.200 30 10 JEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 1301611753 HBXNGEGUZDTKHZ-IRXDYDNUSA-N 485.676 2.450 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccc(N2CCC(CO)CC2)cc1)[C@@H]1CCS(=O)(=O)C1 1358956070 ZLQHNVXPLZNYPN-HSZRJFAPSA-N 499.681 2.459 30 10 JEEE C#CCN(c1nnc([C@@H](C)OCCOC)n1Cc1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 1358956768 KMTDSPFCDYBNIS-APWZRJJASA-N 466.991 2.331 30 10 JEEE C#CCN(c1nnc(-c2sc(N3CCOCC3)nc2C)n1C/C=C\CC)[C@@H]1CCS(=O)(=O)C1 1358957229 RIYKBICGFMZLJD-HPFMTEOYSA-N 490.655 2.140 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2cccc(Cl)c2)n1Cc1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 1358957617 XDZMUYJWRLTWDH-LPHOPBHVSA-N 489.001 2.480 30 10 JEEE C#CCN(c1nnc(-c2cccc3cccnc23)n1C[C@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1358959692 NYEWGJJFSQIDKZ-HKUYNNGSSA-N 452.584 2.070 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@]1(N(C)C)CCSC1)[C@@H]1CCS(=O)(=O)C1 1358964815 HVMOTMIFSPDGJI-ZJSXRUAMSA-N 487.695 2.241 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CC(=O)NCC(F)F)CC1 1359031046 OJJSFPIJBUJTAV-UHFFFAOYSA-N 481.551 2.489 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC(O)(CC)CC)CC1 1359040449 VHTSREUYJQBVFZ-KDURUIRLSA-N 460.623 2.355 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCC(OC)CC1 1359114085 XFFGANJEOKZENO-CTWPCTMYSA-N 455.625 2.219 30 10 JEEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1359125832 VJGYTVHJMKYJKQ-URVUXULASA-N 460.623 2.101 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCO[C@H](C)C1)C(C)C 1359266342 YSYRTDUFNNCEFB-NJDAHSKKSA-N 465.664 2.494 30 10 JEEE C=CCN(CC=C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCN1CCN(C(C)=O)CC1 1359270262 IWRRCAFYGYJCJK-UHFFFAOYSA-N 490.612 2.017 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CCO[C@]2(CCOC2)C1 1359293741 YLYRDSLHZHLELD-HXUWFJFHSA-N 462.348 2.006 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)c2ccc(C)cc2)CC1 1359299718 MBYSJINCHQUNTR-HXUWFJFHSA-N 452.559 2.093 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 1359330415 QVVSAACXXAFQAJ-DOTOQJQBSA-N 464.592 2.223 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H]1CCS(=O)(=O)C1 1507533167 PWHDHYWDODKFTJ-SJORKVTESA-N 465.620 2.285 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2CC2([S@@](C)=O)CC2)c1 1507548639 BRGYYEYHYUBPBY-JGCGQSQUSA-N 450.568 2.251 30 10 JEEE C#CCCCn1c(N2CCN(C(=O)Cc3ccccc3F)CC2)nnc1[C@@]1(OCC)CCOC1 1507598653 GVIQJEYMKVUUQX-RUZDIDTESA-N 469.561 2.374 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCc2ccc(-n3cccn3)cc2)CC1 1507715843 IZHIZXMDHROSOK-UHFFFAOYSA-N 474.613 2.380 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCCCO3)n2Cc2ccc(C)n(C)c2=O)n1 1507716856 NQXHCOPQGIUSKM-QFIPXVFZSA-N 479.585 2.058 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1507717692 FUVOBUUHBMALLT-KRWDZBQOSA-N 479.553 2.127 30 10 JEEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2CC(=O)NC2CCCCC2)CC1 1507728349 QZIRXNXKURQFFQ-UHFFFAOYSA-N 450.587 2.104 30 10 JEEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@H]2CCCCS2(=O)=O)CC1 1507728435 YLNXVFPKVKMHTL-OAQYLSRUSA-N 471.627 2.196 30 10 JEEE C=C(Br)Cn1c(-c2ccc(Cl)nc2)nnc1N(C)CC(=O)N1CCOCC1 1507780604 TZDTYNAZJKEBNM-UHFFFAOYSA-N 455.744 2.197 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccccc2OC)nnc1N1CCC(NS(C)(=O)=O)CC1 1507808629 YSQNPYQNDIGKED-WMZHIEFXSA-N 489.642 2.377 30 10 JEEE C=CCCOCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1507958663 AQILNJVVAHHLFB-GOSISDBHSA-N 462.572 2.322 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(F)cc1C 1508018262 BHEJDHPUOUTKOG-FQEVSTJZSA-N 463.579 2.480 30 10 JEEE C=CCn1c(-c2ccc(F)cc2Br)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1508051628 WQPVVKOATBHHDG-UHFFFAOYSA-N 479.354 2.206 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCO[C@@H](c2nnc(C(C)C)o2)C1 1508095003 RJAKOVJYYOADSO-GOSISDBHSA-N 485.520 2.383 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCCN(c3nc(CC)ns3)CC2)nnc1C(C)(C)C 1508149018 NHNXEJAPRLUELS-UHFFFAOYSA-N 467.665 2.307 30 10 JEEE CC(=O)N1CCN(CCn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N(CCC#N)CC2CC2)CC1 1508273907 CWQSUSHQXBBEHR-UHFFFAOYSA-N 492.628 2.441 30 10 JEEE C[C@@H]1SCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCN(S(C)(=O)=O)C2)[C@H]1C 1512584299 AOHUJIBSQRCLHK-BQFCYCMXSA-N 460.629 2.428 30 10 JEEE CCN(CC)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cc(CO)nn2)CC1 1515546859 BJQMUNAQLJHZOM-UHFFFAOYSA-N 463.590 2.301 30 10 JEEE CSc1cc(Cn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N2CCO[C@@H](C#N)C2)ccn1 1520051291 DCQWPBGUHJKVLQ-SFHVURJKSA-N 499.622 2.089 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCOc1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 1539215483 DCFGWKNCNKXXLA-SFHVURJKSA-N 474.974 2.038 30 10 JEEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(C)cc1N1CCOCC1 1539273613 ZGOIMBOVVHVXDG-UHFFFAOYSA-N 457.582 2.406 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1CCCCS1(=O)=O 1539306299 GCJZDJGPESYOIG-IBGZPJMESA-N 456.568 2.393 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC1(S(C)(=O)=O)CC1 1539315835 WBQHAUMGEJXUDX-UHFFFAOYSA-N 492.605 2.105 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2OCC[C@H]2COC)n1CC1(S(C)(=O)=O)CC1 1539392299 OTSCJKLHZYYDNT-ICSRJNTNSA-N 476.574 2.358 30 10 JEEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@H]2CN(CC(C)C)CCO2)CC1 1539459232 AFESTUIKVLDIDW-DEOSSOPVSA-N 466.630 2.278 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@H]2CCOC[C@@H]2OC)CC1 1539463217 XOTZSYBJXHTDPV-ACRUOGEOSA-N 488.633 2.157 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2c(C)cccc2C)CC1 1539481259 JNCLYMGEKONJCJ-OAQYLSRUSA-N 483.638 2.006 30 10 JEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 1539512610 DHLUHDHGEVTIOB-KRWDZBQOSA-N 488.017 2.499 30 10 JEEE C=CC[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H](C)C(=O)NC)c1ccccc1 1539940694 UTZDSNRVCRZVDU-SXLOBPIMSA-N 459.616 2.358 30 10 JEEE C=CCN(c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCN1CCOCC1(C)C)C1CC1 1540098813 IWZBPPGEMKPXOO-UHFFFAOYSA-N 488.658 2.461 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1540871510 NFJBEABYLMKVIF-YJBOKZPZSA-N 480.491 2.166 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCN2CCSCC2)C1 1540886163 WWCOTQFXNNFFHI-LJQANCHMSA-N 477.656 2.179 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1540907010 JFESMXVXSBZAGZ-PMACEKPBSA-N 459.616 2.439 30 10 JEEE C=CCO[C@H]1CCN(C(=O)CS[C@@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)C1 1546131677 IQTQZPYTTSYGJL-HKUYNNGSSA-N 458.584 2.348 30 10 JEEE CNC(=O)[C@H]1CN(S(=O)(=O)c2cccc(F)c2)CCN1c1ccc(C#N)c(C(F)(F)F)c1 1548367645 BZXBOQBFCDVGDY-GOSISDBHSA-N 470.448 2.342 30 10 JEEE C#CCNC(=O)C1CCN(C(=O)Cc2sc(N3CCOCC3)nc2-c2ccccc2)CC1 1556346755 JAIIXEYKMKNEBZ-UHFFFAOYSA-N 452.580 2.177 30 10 JEEE C#CCSCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1 1565831015 XAHKJKYNHJLMGB-LBPRGKRZSA-N 451.433 2.394 30 10 JEEE N#Cc1ccncc1N1CCN(C(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1 1569814473 AJHMABLWRIBVBP-UHFFFAOYSA-N 453.568 2.019 30 10 JEEE COc1ccc(S(=O)(=O)C[C@H](C)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 1584787236 HMLZPEGZCTYKCY-KKSFZXQISA-N 455.536 2.288 30 10 JEEE C#CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1587754356 BIHGVMZFGVNGRE-KRWDZBQOSA-N 468.583 2.102 30 10 JEEE C#CCN(c1nnc(C2CC2)n1C[C@H]1CCCN1C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1588049634 KBBJDRVVOVJXFS-MSOLQXFVSA-N 463.604 2.182 30 10 JEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCCCN1CC 1588124405 KSWTUPMUEGQPEG-LJQANCHMSA-N 453.616 2.185 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@H]1CCOC[C@H]1OC 1588628701 NHWCQPWYXVEOIX-SIKLNZKXSA-N 494.596 2.373 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H](c2ccccc2)N(C)C)CC1 1588733382 RDWWGOCAGFXPAJ-QFIPXVFZSA-N 451.619 2.255 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@H](C)c2nccs2)CC1 1588762882 OWFKPQQUTQAVBB-GOSISDBHSA-N 499.666 2.211 30 10 JEEE C#CCSCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1588984394 HFMJRIRHOUFOBR-FUHWJXTLSA-N 498.588 2.456 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1589581716 VXXJOFURRUIAIZ-BHIYHBOVSA-N 453.609 2.019 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2cccc(OC)c2)C1 1593746517 HNMXBRLFVHEPGM-TZIWHRDSSA-N 476.599 2.359 30 10 JEEE C=CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1594582811 UTKFGBFOQSERDR-ICSRJNTNSA-N 472.615 2.267 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1595701201 XVEGPQAREDMITP-FUHWJXTLSA-N 462.572 2.178 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCN(C[C@H]2CCOC2)CC1 1595777215 JXDBWCAZCRCIKW-HXUWFJFHSA-N 459.616 2.013 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1595785195 UHFQWNOGRAZBEU-QHCPKHFHSA-N 486.598 2.040 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCC(O)(c2ccccc2)CC1 1595811791 AUTFLECOFZITTF-UHFFFAOYSA-N 467.595 2.353 30 10 JEEE CC(C)NC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCCCC2)CC1 1610169746 AVNPWAMOQXVWQH-UHFFFAOYSA-N 495.628 2.071 30 10 JEEE CCC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(c3ccc(C#N)cn3)CC2)CCCC1 1613734511 IBISGYHAEFSPMU-SFHVURJKSA-N 486.646 2.452 30 10 JEEE CN(C)C(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](Oc2ccccn2)C1 1617606194 HNKHVQSQXQHWGU-FQEVSTJZSA-N 461.526 2.260 30 10 JEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(Cn2nc(C)cc2C)CC1 1689875205 MNLRSIOEGBYZKQ-IBGZPJMESA-N 461.636 2.422 30 10 JEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(Cn2nc(C)cc2C)CC1 1689875206 MNLRSIOEGBYZKQ-LJQANCHMSA-N 461.636 2.422 30 10 JEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1CN(C(=O)OC(C)(C)C)C1 1689951025 JVAZBNXISRJVBV-UHFFFAOYSA-N 488.614 2.132 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1Cc1nncn1-c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1689980553 UKQFMGYDKFNSCU-IEBWSBKVSA-N 453.572 2.047 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@](C)(O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1689980897 ZBIFHQUMVVBRRI-XKDCRVNJSA-N 476.574 2.345 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H](c1ccsc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1689986684 VGGICSVSDBRVNV-AZUAARDMSA-N 470.624 2.331 30 10 JEEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1CCc1nccnc1C)[C@@H]1CCS(=O)(=O)C1 1689997244 YRPOIRRFWYWJNG-OAQYLSRUSA-N 494.621 2.442 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccccc2F)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1690099024 ZSXBGZSLDSWJPG-RXVVDRJESA-N 475.590 2.374 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC1([S@](C)=O)CC1 1690100973 JXTCEFITZYKQPL-UMSFTDKQSA-N 482.610 2.233 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2CCN(C)CC(F)(F)F)CC1 1690133796 UKULPFDVKPWDBZ-UHFFFAOYSA-N 466.508 2.115 30 10 JEEE C#CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(CC(F)F)CC1 1690170679 OOLPWZYHTQUVLG-UHFFFAOYSA-N 487.580 2.428 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@H](C(N)=O)C1 1690237422 YPSLCWKMJHXGMB-GGPKGHCWSA-N 452.559 2.440 30 10 JEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1690309776 KJYQNGRJGDXVAF-OAHLLOKOSA-N 451.453 2.193 30 10 JEEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cc(C)cs1 1690313407 SPJPLGFWEFRLCS-GOSISDBHSA-N 469.633 2.210 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C)no1 1690577730 LWFVSXMCDLZTFA-SFHVURJKSA-N 478.600 2.210 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(CCN2[C@H](C)CC[C@H]2C)CC1 1690724118 IJQXTVJYCSVLOP-VSKRKVRLSA-N 494.706 2.115 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1690725522 SWQIGSDZLNQJFW-CTNGQTDRSA-N 460.600 2.484 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cn2ccc3ccccc32)nnc1N1CCC[C@H](NC(=O)CC)C1 1690726500 CDAXEUAQTMGSTK-FQEVSTJZSA-N 484.626 2.377 30 10 JEEE C[C@@H]1CCCN1CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(C#N)CC1 1693689980 DLODQHXMTRNFBG-GOSISDBHSA-N 471.631 2.420 30 10 JEEE CCCS(=O)(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C2CC2)N(C)C)CC1 1695476578 CPXBUHXMPFEMTD-JOCHJYFZSA-N 485.658 2.455 30 10 JEEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccccc1CN1CCC(O)CC1 1705546309 HQZTXCSOJFQITD-RUZDIDTESA-N 453.587 2.005 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCCCN1CCCC)[C@H]1CCS(=O)(=O)C1 1705567100 TZSHACXQXRTQOH-VSKRKVRLSA-N 477.675 2.453 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)CC1 1705637070 IDXXDKIVKFUVTQ-SFTDATJTSA-N 461.614 2.460 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(C)cc2F)CC1 1705644671 YWNHDMPTPYNMCX-UHFFFAOYSA-N 475.528 2.387 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCCCCCO)CC1 1705648244 TVHZAAHZOYTGMP-UHFFFAOYSA-N 477.569 2.112 30 10 JEEE C#CCSCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC(NS(C)(=O)=O)CC1 1705655357 LJIOYMXIOYJXDL-UHFFFAOYSA-N 485.639 2.220 30 10 JEEE C=C(Br)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCNC(=O)[C@H]1CC 1705688799 UYXXFNQLZWPPHL-CABCVRRESA-N 499.410 2.210 30 10 JEEE C=C(Br)Cn1c(COc2cccc(C)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1705691382 FEVAOGCDMBGCMO-UHFFFAOYSA-N 470.393 2.156 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2ncccn2)CC1 1705695057 VBCJODPBAJVYCU-AZUAARDMSA-N 468.606 2.294 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1CCCN(c2ccccc2)C1 1705725638 LQBIFTPDJCJEDL-NHCUHLMSSA-N 474.631 2.292 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H]1CCN(Cc2ccccc2)C1 1705736834 DPLRIRTVBNZORE-YADHBBJMSA-N 473.643 2.484 30 10 JEEE C=CCN(CC=C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CCS(=O)(=O)C1 1705870741 WVFHPKQOJCTSFO-KRWDZBQOSA-N 478.644 2.160 30 10 JEEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@@H](c2nccs2)C1 1705905206 NNTLBCCWTUHQOO-QGZVFWFLSA-N 460.510 2.484 30 10 JEEE CC(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)c2cccs2)CC1 1706032799 ASOOHEQFSGFDLS-UHFFFAOYSA-N 493.593 2.325 30 10 JEEE CC(C)C[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1)N(C)C 1706369185 BRCBKRPOYJSMBA-CTNGQTDRSA-N 474.631 2.328 30 10 JEEE CN(C)C(=O)[C@@H]1CCCN1CCCn1c(-c2ccccc2F)nnc1N1CC[C@@](F)(C#N)C1 1710972089 BPJWKDKNYCQWGD-WMZHIEFXSA-N 457.529 2.469 30 10 JEEE CN(C)C(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1710976667 BZAJIONQQABMKK-UHFFFAOYSA-N 478.601 2.413 30 10 JEEE COCC[C@@](C)(O)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCO[C@H](C#N)C1 1712320048 CGIBDLYHKPJGPK-FOIQADDNSA-N 480.363 2.232 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H](C)c1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1722359775 AWFVPZMLGAUNTR-QUCCMNQESA-N 450.568 2.474 30 10 JEEE C#CCN(c1nnc([C@@H](C)OCCOC)n1Cc1nc(C(C)(C)C)cs1)[C@H]1CCS(=O)(=O)C1 1722363683 HDMZKALDBGLQSI-SJORKVTESA-N 495.671 2.431 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCO[C@@H]1C(=C)C)[C@@H]1CCS(=O)(=O)C1 1722370256 BBCXARJFWNSOPW-YZUZCNPQSA-N 495.605 2.337 30 10 JEEE C#CCSCCn1c([C@H](C)CC)nnc1N1C[C@@H]2[C@@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1722451492 KAORGUUINWKSHQ-BDXSIMOUSA-N 497.687 2.285 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cnn(CCOC)c1 1722472453 DYWUQXPCDYUINM-CJFMBICVSA-N 499.616 2.470 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1722537373 NILYFYDQSKEQKH-MOPGFXCFSA-N 453.609 2.117 30 10 JEEE C=CCn1c(N2CCN([C@@H](C)C(=O)N3CCCC3)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1722691066 PHFJBRZGNUORSI-SLFFLAALSA-N 487.649 2.368 30 10 JEEE C=CCSCCn1c(Cc2ccccn2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1722741165 BOWAVJURALMFLP-UHFFFAOYSA-N 497.669 2.123 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1Cc1cccnc1OCC(F)(F)F 1723910826 GEAIQMQHLBZRRY-CHWSQXEVSA-N 475.497 2.011 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC1(N2CCOCC2)CCCCC1 1723940712 CLRZHTHRSYZYCA-KNQAVFIVSA-N 493.678 2.053 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCC(C)CC2)nc1 1740533602 SCQNNSOWAMXTGQ-ROUUACIJSA-N 459.620 2.026 30 10 JEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1740581605 BWMGFEQBQYIWRZ-IBGZPJMESA-N 464.613 2.166 30 10 JEEE C#CCCCn1c(COc2ccc(OC)cc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1740596085 RXAFMEIAIFBVCS-JOCHJYFZSA-N 466.586 2.022 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1Cc1nnc(C(C)(C)C)s1)[C@@H]1CCS(=O)(=O)C1 1740619896 ARKNIOKPWSXKBK-OAHLLOKOSA-N 473.628 2.108 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCCCN1CCC)[C@@H]1CCS(=O)(=O)C1 1740625106 NYNNFYLZDPNPOT-FCHUYYIVSA-N 487.674 2.031 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@@H](CC)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1740628980 XWXKYPKWAVHIOH-UXHICEINSA-N 489.617 2.497 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCOC[C@@H]1CCOC1 1740671857 QCVLYXJNHYVLBH-PMACEKPBSA-N 477.606 2.489 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2ccc(OC(C)(C)C)nc2)CC1 1740690306 INOXZTFNMKPQTH-LJQANCHMSA-N 456.591 2.378 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@H]2CN(CC(C)C)CCO2)CC1 1740691747 CARSRBOBTWVSIF-QHCPKHFHSA-N 452.603 2.066 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCOCc2ccccc2)CC1 1740692934 ROIBGAOFLCSMIM-VWLOTQADSA-N 453.587 2.291 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(C)nc4ccccc34)n2CCN(C)CCOC)CC1 1740702865 AMXUONPDMHUIQK-UHFFFAOYSA-N 489.624 2.346 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2C[C@H]2CCCCS2(=O)=O)CC1 1740703910 GZOVDGVRKGWBFS-GOSISDBHSA-N 473.574 2.017 30 10 JEEE C#CCSCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1740708898 FBOHXAXMYGKZRD-INIZCTEOSA-N 467.592 2.005 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cnccn2)n1CCOc1ccc(S(C)(=O)=O)cc1 1740729575 HSFUECXOXIXWHN-JOCHJYFZSA-N 452.540 2.210 30 10 JEEE C=CCN(c1nnc(Cc2c(F)cccc2F)n1CC1(O)CCS(=O)(=O)CC1)C1CC1 1740912224 WIYDWXVJSYTERK-UHFFFAOYSA-N 452.527 2.242 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)c2ccsc2)CC1 1740961740 YDAXUWWWNDMVRU-UHFFFAOYSA-N 468.558 2.334 30 10 JEEE Cc1ccc(C(=O)NCCn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[C@@](C)(C#N)C2)cc1F 1742152350 BWOHOYYQVPVEHO-MBSDFSHPSA-N 453.522 2.237 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OCC)CCOC3)n2C[C@@H]2CC=CCO2)c1 1748691242 BFXIJPYEYPNZST-OFVILXPXSA-N 465.554 2.332 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC1(O)CCOCC1 1748886638 JYOJKWANZNBNNE-UHFFFAOYSA-N 474.565 2.069 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](c2c(F)cccc2F)N(C)C)CC1 1748973241 YZPYJRYJHMGMIM-FQEVSTJZSA-N 494.550 2.262 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccccc2COC)CC1 1748978878 RFICJMFZGJHIGP-VWLOTQADSA-N 453.587 2.269 30 10 JEEE C#CCN1CCN(c2nnc(-c3cnccn3)n2C[C@H](c2c(F)cccc2F)N(C)C)CC1 1748986558 BWWNRORFPHGBJR-HXUWFJFHSA-N 452.513 2.071 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCc2nc(C(F)(F)F)cs2)CC1 1749009299 ODHZPQRKRIJTCG-UHFFFAOYSA-N 490.515 2.419 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2CC(C)(C)SC)CC1 1749015556 GWWHWGJFSHGNJA-UHFFFAOYSA-N 474.656 2.377 30 10 JEEE C=C(Br)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1749105383 FKULWUGMCCYCME-OAHLLOKOSA-N 454.756 2.382 30 10 JEEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(Cn2cncn2)CC1 1749115531 SAGNQRFVDDGORD-IRXDYDNUSA-N 466.384 2.419 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(OC)c(O)c1 1749118791 JOBDTISMDLUSMF-SYNHAJSKSA-N 479.603 2.220 30 10 JEEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 1749606117 JZOKYVBRRBNZIC-VPSFDDGASA-N 468.624 2.441 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H]1CSC 1749668935 GQJKLGOZWKBZIB-SJORKVTESA-N 480.635 2.221 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1749669401 KEVKFTCAGOZQCD-FGTMMUONSA-N 462.595 2.214 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3Br)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1749703892 QZLIMQJCZUDQDT-MGPUTAFESA-N 497.415 2.039 30 10 JEEE C=CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H](C)CC(N)=O 1749755691 JXUASGOQGPGFJS-HZPDHXFCSA-N 468.624 2.206 30 10 JEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1749756293 WCJFTAWLEHVQNR-KRWDZBQOSA-N 467.661 2.081 30 10 JEEE COCCN(C)S(=O)(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2CC2)C1 1749781338 DREOYWNWCUNJSF-HXUWFJFHSA-N 458.588 2.104 30 10 JEEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](c2ccco2)N(C)C)CC1=O 1749878262 DROGDEOKMCXVSZ-HXUWFJFHSA-N 463.542 2.008 30 10 JEEE Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)CC#N)n2CCCN2CCN(c3ccncc3)CC2)n1 1751832410 HSWCTYOSCUEUGL-OAQYLSRUSA-N 476.633 2.485 30 10 JEEE C#CCCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1760134059 YJSZZXYEZJRHLS-GOSISDBHSA-N 459.572 2.038 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H](OC)C(C)C)[C@H]1CCS(=O)(=O)C1 1760183376 BCATUPWLQIORDF-LAUBAEHRSA-N 476.599 2.260 30 10 JEEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1C[C@H](C)COC)[C@@H]1CCS(=O)(=O)C1 1760192531 VJHCQGXLBRYJDE-FUHWJXTLSA-N 466.991 2.420 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1760209822 IDDGPJBEOZJZEL-MOPGFXCFSA-N 473.574 2.302 30 10 JEEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](c2cccc(F)c2)C1 1760280654 GZALZMBRGCKFFN-ICSRJNTNSA-N 493.630 2.110 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(OC)c(OC)c1OC 1760295244 QZFYWSFMORDBMB-MHECFPHRSA-N 488.610 2.441 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1c(C)cccc1C 1760296021 XTXZVWBGEAFLTN-XUZZJYLKSA-N 471.627 2.463 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccccc2Cl)CC1 1760389044 ATCJTFDTNSRUKI-GOSISDBHSA-N 451.980 2.469 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CC1CCS(=O)(=O)CC1 1760477986 QUYIUXPNLODFRN-FQEVSTJZSA-N 473.599 2.255 30 10 JEEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(C(=O)N(C)C)CCCC1 1760503714 OBSNMPCOVMEREJ-UHFFFAOYSA-N 493.612 2.479 30 10 JEEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC(CC)CC1 1760516011 UYDRZMSCRJWHBJ-UHFFFAOYSA-N 459.620 2.475 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)Cc1nccs1 1760553979 NTQVENXQFUEPLT-UHFFFAOYSA-N 471.568 2.288 30 10 JEEE CCN1CCN(C[C@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](C(=O)OC)C2)CC1 1767144384 GRGJFZXDRYAREK-REWPJTCUSA-N 479.629 2.480 30 10 JEEE Cc1c(C(=O)NCCCN2CCOCC2)oc2c1C(=NNS(=O)(=O)c1ccccc1)CCC2 1772747563 NAHHEWKFOMQAAA-UHFFFAOYSA-N 474.583 2.059 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCO)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1OC 1862578101 HSRDQNMTXCCYSC-HXUWFJFHSA-N 473.478 2.300 30 10 JEEE C=CCN(CC=C)C(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)CCc1nn2c(C)nnc2s1 1868899011 ZTPTYUORGNHJHP-GOSISDBHSA-N 454.556 2.061 30 10 JEEE CCN(CC)c1ccc(-n2nnc(C#N)c2NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 1870155342 IEKODHOLJCKFHS-UHFFFAOYSA-N 488.464 2.128 30 10 JEEE CC(=O)Nc1ccc(C)c(-n2nnc(C#N)c2NC(=O)CN2C(=O)COc3ccc(Cl)cc32)c1 1870159941 BQANBHDZOYNPQQ-UHFFFAOYSA-N 479.884 2.423 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCCN2C(=O)c3ccccc3C2=O)cn1C[C@@H](C)O 1870378232 PEWYGOZIWJKJLS-GOSISDBHSA-N 451.523 2.078 30 10 JEEE C=CCn1cc(OCC(=O)NCCc2ccc(OC)cc2)c(=O)cc1CN1C[C@H](C)O[C@H](C)C1 1870643684 XDDJPOXWWNCGQX-BGYRXZFFSA-N 469.582 2.390 30 10 JEEE C[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)C(=O)Nc1ccc(C#N)cc1 1873864355 FYZBKTHAJMRLGI-DOTOQJQBSA-N 458.515 2.241 30 10 JEEE COc1ccccc1OCC#CCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 1890829598 CLOKGHZZZOBEDM-GOSISDBHSA-N 460.527 2.434 30 10 JEEE CC(C)(C)OC(=O)NC[C@@]1(CO)COCCN1Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2162867270 GKTHSTRKMUNADI-XMMPIXPASA-N 462.396 2.074 30 10 JEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1 2180984900 LQRZAMAUOFQIAQ-KRWDZBQOSA-N 484.424 2.201 30 10 JEEE CC(C)(C)OC(=O)NCCCOCCNC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2255533243 SABJUBKOXYPAOR-UHFFFAOYSA-N 455.386 2.104 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@](C)(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C1 2256621146 QXHZEMCPVHQUCU-FQEVSTJZSA-N 453.370 2.407 30 10 JEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1C[C@H](O)C[C@@H](NC(=O)OC(C)(C)C)C1 2267127888 LZJBZRLWWXQATD-HUUCEWRRSA-N 466.409 2.456 30 10 JEEE C[C@H]1CCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C[C@H]1NC(=O)C(F)(F)F 2267412476 NMGDJIGDMMOLHY-WCQYABFASA-N 482.355 2.125 30 10 JEEE Cn1nc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H]3C[C@H]32)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2267501790 CVCLFRZXTFODDW-OLZOCXBDSA-N 466.775 2.207 30 10 JEEE CC(C)(C)OC(=O)NCC[C@H]1CN(C(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)CCO1 2267540097 VJUNDXZLYZQXDJ-AWEZNQCLSA-N 467.397 2.198 30 10 JEEE CC(C)(C)OC(=O)N[C@]1(C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)CCCOC1 2268718827 UYQVZCODQVWRCT-OAQYLSRUSA-N 467.397 2.132 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CC(C(=O)NCc2cc(B3OC(C)(C)C(C)(C)O3)cs2)=C[C@H]1O 2268719115 YPLQYIIFUAABQZ-DLBZAZTESA-N 464.393 2.248 30 10 JEEE COC(=O)[C@]1(Oc2nccc(B3OC(C)(C)C(C)(C)O3)c2F)CCN(C(=O)OC(C)(C)C)C1 2280703937 WNGHKVRVUKLOCQ-QFIPXVFZSA-N 466.315 2.451 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](O)CN1C(=O)c1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2281778981 AUIQENIQQSNZET-JKSUJKDBSA-N 464.343 2.225 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2CN(C(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)C[C@H]21 2281926175 KXWXHCTVROQGJB-DJIMGWMZSA-N 460.384 2.474 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2C[C@@](F)(CNC(=O)OC(C)(C)C)C2)n1 2281995475 CWCSFFQDEJAOMR-CAJLXGCNSA-N 466.363 2.327 30 10 JEEE Cn1cc(C(=O)NC[C@@H]2C[C@H]3CC[C@H]2N3C(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2282037887 BDPGDUKHPZLMLH-ZMSDIMECSA-N 460.384 2.237 30 10 JEEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1 2282177538 HGSDWQBMZAZOOP-UHFFFAOYSA-N 457.340 2.391 30 10 JEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCc1c[nH][nH]c1=NC(=O)OC(C)(C)C 2282308080 MNQYCKMASNFRTR-UHFFFAOYSA-N 498.436 2.326 30 10 JEEE CC(C)(C)OC(=O)N1CCC2(C1)CN(S(=O)(=O)c1cncc(B3OC(C)(C)C(C)(C)O3)c1)C2 2282345073 FPPJTSUTAXWYRY-UHFFFAOYSA-N 479.408 2.012 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@](CO)(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2F)C1 2282401890 XZINQFLEXJFUPG-QHCPKHFHSA-N 464.343 2.227 30 10 JEEE CO[C@@H]1CN(C(=O)c2c(F)cccc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1NC(=O)OC(C)(C)C 2282466189 ZBFCJLNRVUPVRD-DLBZAZTESA-N 464.343 2.489 30 10 JEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1CO 2282558917 FXPIOCVUWKJLRL-WBVHZDCISA-N 464.368 2.235 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)[C@H]2CCC[C@@H]21 2282624922 ORDYQGBZWBXHQQ-IKGGRYGDSA-N 458.368 2.294 30 10 JEEE COCC1(NC(=O)OC(C)(C)C)CC(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cn2C)C1 2282684908 XPXBVIUQOJSVIV-UHFFFAOYSA-N 463.384 2.126 30 10 JEEE Cc1cc(C(=O)N=c2[nH]nc(CCNC(=O)OC(C)(C)C)o2)sc1B1OC(C)(C)C(C)(C)O1 2282696091 YFJOXIVEMLVDLX-UHFFFAOYSA-N 478.380 2.480 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@]2(NS(=O)(=O)c3cncc(B4OC(C)(C)C(C)(C)O4)c3)C[C@@H]2C1 2282832471 PPMHRRQKTMNHSF-QRQCRPRQSA-N 479.408 2.059 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H](COCc1ccccc1)C(=O)O 2284395124 IAFBSHMNVCRDGC-IBGZPJMESA-N 475.372 2.243 30 10 JEEE CN[C@@H](C#Cc1ccc(Br)cc1)[C@H](NC(=O)OC(C)(C)C)C1CS(=O)(=O)C1 2296291337 NJJWAIHQZAYMMQ-DLBZAZTESA-N 457.390 2.327 30 10 JEEE COCCOCC(=O)N1C[C@@H](C(N)=O)[C@@H](C2CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)C1 2297649784 COKWJQKFVCOFJB-RTBURBONSA-N 482.503 2.016 30 10 JEEE CC(=O)O[C@H]1[C@H](c2ccc(=O)oc2)[C@@]2(C)CC[C@H]3[C@@H](CC[C@@]4(O)C[C@@H](O)CC[C@]34C=O)[C@@]23O[C@@H]13 2333324417 RDQNOOHJEOAAIW-QDAWMDAESA-N 472.534 2.094 30 10 JEEE Cn1cnc(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 2362351831 KHLHUPREESQUOF-OWCLPIDISA-N 460.384 2.095 30 10 JEEE C[C@@H]1CN(C(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)CC2(CN(C(=O)OC(C)(C)C)C2)O1 2362502356 CVSWKJSIUADRHG-CQSZACIVSA-N 479.408 2.293 30 10 JEEE CC(C)(C)OC(=O)NC[C@@]1(Oc2cccc(B3OC(C)(C)C(C)(C)O3)n2)CCCS(=O)(=O)C1 2368395692 ZYEYLXYOSLRANU-QFIPXVFZSA-N 482.408 2.232 30 10 JEEE Cc1c(C(=O)N(C)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2F)nn(C)c1B1OC(C)(C)C(C)(C)O1 2369671017 XOBLIDGNEKNGMW-GJZGRUSLSA-N 466.363 2.057 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)Nc3ccc(CN4CCOCC4)cc3)cc2C1=O 16281282 GTBVLGXIGZBBPK-UHFFFAOYSA-N 463.490 2.096 30 10 JEEE CCCCCCCCCCOC(=O)C[C@H]1C(=O)NCCN1C(=S)NC(=O)/C=C/C(=O)OCC 100227154 MASZHXHKWAGJDY-HHNLSAEISA-N 483.631 2.381 30 10 JEEE COc1ccc(C(C)=NNc2nc3c(c(=O)nc(O)n3C)n2C[C@@H](O)COc2ccccc2)cc1 253531941 OEBSEYZMZSBSPO-QGZVFWFLSA-N 478.509 2.120 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)N3CCN([C@H](C)C(=O)Nc4cccc(F)c4)CC3)cc2C1=O 510178930 AIAZUENZUKUDEF-MRXNPFEDSA-N 464.497 2.393 30 10 JEEE COc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(Cc3ccccc3)c2=O)c(Cl)c1OC 561064570 LNHULBZADMZGJI-UHFFFAOYSA-N 495.988 2.410 30 10 JEEE C=CCNC(=O)CN1CCN(C(=O)CCCCc2ccc(I)cc2)CC1 609023448 LCUFPMJATMRJTP-UHFFFAOYSA-N 469.367 2.450 30 10 JEEE C=CCNC(=O)CN1CCN(C(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)CC1 914445584 YYTJCZMNPGLPGH-VKAVYKQESA-N 478.665 2.176 30 10 JEEE C=CCOc1ccc(C(=O)N2CCN(S(=O)(=O)c3cc(S(C)(=O)=O)ccc3C)CC2)cc1 917382411 QUJHLCAWXDUZHJ-UHFFFAOYSA-N 478.592 2.110 30 10 JEEE C#CCN(C(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1)[C@H]1CCS(=O)(=O)C1 918754984 ORHLSRKHNUNKPN-INIZCTEOSA-N 468.503 2.028 30 10 JEEE COc1ccc(C=NNc2nnc(SCC(=O)Nc3cc(OC)ccc3OC)n2N)cc1 1084032841 DWFFFDIDOYPCTA-UHFFFAOYSA-N 457.516 2.195 30 10 JEEE C#C[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Br)C1CCOCC1 1131257258 NLYFWGHNOHQRKV-GOSISDBHSA-N 455.374 2.392 30 10 JEEE C=CCn1c(S)nc2cc(C(=O)N[C@@H]3CCN(c4ccccc4OC)C3=O)ccc2c1=O 1137511953 RRFSFPOPQVYOBO-MRXNPFEDSA-N 450.520 2.415 30 10 JEEE C=C[C@@H]1OCCC[C@H]1NCC(=O)NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S 1194497878 VFHTVYPLMJXNGM-PPDJXAKQSA-N 475.592 2.056 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1CCNC(=O)c1cc[nH]n1 1286278421 CSJAHHZIFCEKRI-ZDUSSCGKSA-N 472.347 2.327 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1CCN(Cc2cccs2)CC1 1286420133 MCBZSRIADWLTCL-IBGZPJMESA-N 488.683 2.325 30 10 JEEE C#CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(CC(=O)N(C)C)CC1 1286501421 XIQFKFUNOGKZDT-UHFFFAOYSA-N 477.034 2.184 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(CN(C)C)c1 1286582289 VTUGEWQZCDQLGM-OAQYLSRUSA-N 476.647 2.123 30 10 JEEE C=CCCOCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@@]2(CCOC2)C1 1286705876 GHTSDTFEPQJWBJ-QHCPKHFHSA-N 475.977 2.450 30 10 JEEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1cccc(S(=O)(=O)NC)c1 1286723992 CCUXLNFLXNTUMO-UHFFFAOYSA-N 482.614 2.031 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC(NC(=O)c2ccc(C)s2)CC1 1286789468 SPHZFXFGYOZYCR-UHFFFAOYSA-N 479.610 2.335 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCC(O)(C(F)(F)F)CC1 1286792251 RYLIMYXDNCJNPI-UHFFFAOYSA-N 457.428 2.192 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@H](OC)C1 1286815608 XPIAPQUDSROKMJ-KRWDZBQOSA-N 450.561 2.178 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCOc1ccc(F)c(Cl)c1 1288825127 AYZVPGOTXREVGJ-KZULUSFZSA-N 474.921 2.202 30 10 JEEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(C(C)(C)C)n1CC[S@@](=O)C(C)(C)C 1291194889 GVHWSBLMEXITLJ-HEJPQYQCSA-N 458.636 2.500 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@]1(N(C)C)CCSC1 1300306953 ATXBOPNQGWKMFA-MBSDFSHPSA-N 454.648 2.347 30 10 JEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN([C@@H](C)c2cccc(OC)c2)CC1 1300383856 ILFOHIIVSZXPRK-MOPGFXCFSA-N 474.631 2.194 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1Cc1ncn(-c2ccccc2)n1)[C@H]1CCS(=O)(=O)C1 1300481924 CGYXKLIKODXZIW-MJGOQNOKSA-N 453.572 2.047 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCNC(=O)c2ccco2)CC1 1300707251 CGDJDYGOLQQSQQ-UHFFFAOYSA-N 468.945 2.289 30 10 JEEE COCC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1301439195 FTTSHLZKRWQILH-YDIMBITNSA-N 456.591 2.150 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CC[C@](C)(C(N)=O)C1 1301490029 JOUXKPSXTBNRKC-DEOSSOPVSA-N 464.526 2.121 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CC(C)(C)C 1301502419 HRDNZHFLRXBTJW-INIZCTEOSA-N 450.584 2.371 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)Cc2ccoc2)cc1 1301525076 GFAZKQBLHVXLFJ-NRFANRHFSA-N 487.582 2.454 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCC(=O)N(C)C)C1 1301566741 BTQFNAGPMNSHPO-KSZLIROESA-N 462.595 2.308 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@@](F)(C#N)C1 1301589804 XNXSXEXFMOQDDE-JOCHJYFZSA-N 496.609 2.435 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCN(Cc3ccc(C#N)cc3)CC2)nnc1C(C)(C)C 1301595880 CXXYHTDIUHOCTE-UHFFFAOYSA-N 456.616 2.370 30 10 JEEE CC(C)Cc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CCS(=O)(=O)NC(C)C 1302948920 DBODEPYKKOJDCS-UHFFFAOYSA-N 477.610 2.142 30 10 JEEE Cc1cc(C)n(CCCn2c(-c3cccc(C#N)c3)nnc2N(C)CC(=O)N2CCOCC2)n1 1304770443 CZOUUXZEOCITLF-UHFFFAOYSA-N 462.558 2.015 30 10 JEEE C#CCNS(=O)(=O)N1CCN(Cc2c(F)ccc(C(F)(F)F)c2Br)CC1 1308914296 MZDJIRCWKMZMLC-UHFFFAOYSA-N 458.275 2.192 30 10 JEEE CCS(=O)(=O)N(C)CCCn1c(CC2CC2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1314542511 IAEIRLGHQQTNIU-NRFANRHFSA-N 472.615 2.352 30 10 JEEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC[S@@](=O)C(C)(C)C)CCO1 1315949205 ARJCRYVEBKBAGF-PSTIOWGYSA-N 461.588 2.128 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1Cc1nc(C2CC2)cs1)[C@@H]1CCS(=O)(=O)C1 1358954979 BQIKLGHWCMUOJV-QGZVFWFLSA-N 490.655 2.205 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CC1(CCOC)CC1)[C@@H]1CCS(=O)(=O)C1 1358959395 IDDHZPFJLIRETK-LJQANCHMSA-N 458.584 2.397 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCc1ccc(OC)c(F)c1)[C@H]1CCS(=O)(=O)C1 1358963887 POONCSNHLHIRCA-OALUTQOASA-N 476.574 2.189 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCCCN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1358967119 DSSJWBOXWFEPGY-NHCUHLMSSA-N 463.648 2.413 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CCOCc2ccccc2)CC1 1359046064 CNMDYVRLINPPLZ-UHFFFAOYSA-N 458.566 2.447 30 10 JEEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)Cc2cccc(OC)c2)CC1 1359056263 BMDHZYPLBQVGQT-OAQYLSRUSA-N 483.638 2.438 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ncccc2F)CC1 1359089497 KERXJGUCYRRZCG-HKUYNNGSSA-N 457.554 2.258 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](OC)c2ccc(F)cc2)CC1 1359165280 LYPHWXKDGKJSBS-PMACEKPBSA-N 479.578 2.294 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(NC(=O)c3ccoc3C)CC2)s1 1443017230 LXCCQGJCQXLHOB-UHFFFAOYSA-N 451.570 2.077 30 10 JEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1nc([C@@H](C)SCC)no1 1507590234 CNMNKKCSEUQCGK-HUUCEWRRSA-N 452.606 2.427 30 10 JEEE C#CCCCn1c(COc2ccccc2F)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1507595931 ZDWJFWXJBZEBBL-KNQAVFIVSA-N 468.577 2.398 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H](C)c1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 1507622674 KKZFQIBXCVEYMA-AZUAARDMSA-N 457.600 2.155 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H](C)N(C)C1CC1)[C@H]1CCS(=O)(=O)C1 1507625156 HJWJQWGMJGVFNT-XLIONFOSSA-N 487.626 2.072 30 10 JEEE C#CCN(c1nnc(COCC)n1Cc1ccc(OC(F)(F)F)cc1)[C@H]1CCS(=O)(=O)C1 1507639290 XFAKUCSAMVJTFF-INIZCTEOSA-N 472.489 2.388 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2CCC(=O)N[C@@H](C)CC)CC1 1507734264 KHTQCHAYLVYWEH-SFHVURJKSA-N 466.586 2.224 30 10 JEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(Oc2cncc(Cl)n2)CC1 1507753861 JKTFQOQMULQXHP-HNNXBMFYSA-N 461.979 2.087 30 10 JEEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1507774838 OOINOECORRACEY-UHFFFAOYSA-N 467.328 2.271 30 10 JEEE C=C(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1507828822 MPIVDLQAORKEOP-UHFFFAOYSA-N 475.479 2.392 30 10 JEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(F)c(OC)c2)CC1 1507968528 UWFVNTVTBPZCEW-SFHVURJKSA-N 493.605 2.247 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CCCN1S(C)(=O)=O 1507980935 ZGUIPQXINMGSKU-QZTJIDSGSA-N 482.651 2.439 30 10 JEEE C=CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1508050864 LNKCIURAXWHTEP-UHFFFAOYSA-N 461.452 2.002 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@]2(O)CCO[C@H]2C)C1 1508118637 SNPROXKECCLUMQ-NVTAWBTOSA-N 474.558 2.292 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@H](C(F)(F)F)C1 1508135892 OPOBYLWUWYNTMA-INIZCTEOSA-N 496.519 2.300 30 10 JEEE COc1cc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCN2CCCCC2=O)cc(OC)c1OC 1517976143 DJULERMIMGMFBS-GOSISDBHSA-N 484.557 2.102 30 10 JEEE COc1ncccc1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1518548294 HDFOKBMKGXJRQT-FQEVSTJZSA-N 482.566 2.194 30 10 JEEE C=CCS(=O)(=O)CCNC(=O)c1cc(Br)cc(I)c1 1519773127 RZQGBYPUSIRFKH-UHFFFAOYSA-N 458.115 2.384 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1Cc1ccc(N2CCN(CC)CC2)nc1 1538962290 GGUZNNXDTOFZBL-IBGZPJMESA-N 466.634 2.240 30 10 JEEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1ccc(OCC(F)(F)F)nc1 1539161496 FURXJPLVVXIYSN-UHFFFAOYSA-N 469.431 2.375 30 10 JEEE C#CCN(c1nnc(COc2ccccc2CC)n1C[C@@H]1CCCOC1)[C@H]1CCS(=O)(=O)C1 1539229837 ITDYBWNFBFRRKH-FPOVZHCZSA-N 472.611 2.473 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1CCC(=O)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1539230691 OYRIAGSIGCSTGW-OAQYLSRUSA-N 499.637 2.195 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCC(=O)N[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1539231249 QDTVSLJNLBPGGG-QEUVDIPISA-N 493.674 2.128 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCN1CCOCC1(C)C 1539315078 CWFVTIXOGZBGOI-UHFFFAOYSA-N 487.608 2.249 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3)n2CCNC(=O)c2ccco2)CC1 1539438340 VQGUXMRZOWAVDN-UHFFFAOYSA-N 483.370 2.486 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H](C(C)C)N2CCOCC2)CC1 1539482366 LVHQKNJBULEWIN-DEOSSOPVSA-N 496.631 2.331 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1539490425 CNDOLOKHQLJOPV-UHFFFAOYSA-N 495.531 2.187 30 10 JEEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1539507001 PPIXLUWQARSOQJ-SJORKVTESA-N 457.556 2.263 30 10 JEEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2cccc(F)c2[C@H]1C 1539517975 USQMPGFIBRQKOK-VQIMIIECSA-N 493.630 2.240 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@]1(C)OCCc2sccc21 1539538108 CGSCTLFUZMJDGV-RVHYNSKXSA-N 463.629 2.430 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCN1CCC(O)CC1 1539658844 CQAOVLQDRLXFNZ-UHFFFAOYSA-N 451.579 2.170 30 10 JEEE C=CCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1539986255 WTNVUAPXGHHAEJ-OAQYLSRUSA-N 470.599 2.414 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1540872534 RVPUVXIRFYPKSK-UHFFFAOYSA-N 456.554 2.073 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1540899085 CLTWYMQTRRMWJG-SFHVURJKSA-N 480.034 2.358 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccsc1Br 1541105011 DGNYMOBHHOVPJV-MNOVXSKESA-N 461.411 2.356 30 10 JEEE CC(C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@]2(CCO[C@H]2C)C1 1544721538 BYOAJKLDIZKEKR-NXMSCROESA-N 452.559 2.362 30 10 JEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1cccc(Cl)c1C)[C@@H]1CCS(=O)(=O)C1 1588024778 LHNUXCONTCCQJG-GOSISDBHSA-N 476.002 2.151 30 10 JEEE C#CCN(c1nnc(-c2cc(C)nc3ccccc23)n1CCOCC)[C@H]1CCS(=O)(=O)C1 1588034207 BOBHFZKUQDTSDT-SFHVURJKSA-N 453.568 2.465 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1cc(OC)c(OCC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1588049982 OSFDOTVDECKZGV-GOSISDBHSA-N 499.593 2.364 30 10 JEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2CCN(Cc3ccccc3)[C@H]21 1588983807 CDLKXMNVBOBLMY-VCOUNFBDSA-N 488.683 2.313 30 10 JEEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H]1c1nncn1C 1589006439 DZUXXULEVKZRJO-SFHVURJKSA-N 471.612 2.185 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC(C)C)nc1 1589663128 ILVHROMYXIUGCJ-LJQANCHMSA-N 478.619 2.244 30 10 JEEE C=CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1594582813 UTKFGBFOQSERDR-UYAOXDASSA-N 472.615 2.267 30 10 JEEE C=CCN(CCOC)c1nnc(-c2cn(C)c3ccccc23)n1C[C@H]1CCN(S(C)(=O)=O)C1 1595291131 NRRARBSUGATDJM-SFHVURJKSA-N 472.615 2.357 30 10 JEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](Cc2ccc(C#N)cc2)C1 1595405241 GIFFUFHUVYVVAU-LEWJYISDSA-N 470.599 2.128 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N(C)C[C@H]1CCCOC1 1595765530 BUYAQYIEXNLSJQ-CQSZACIVSA-N 472.409 2.499 30 10 JEEE C=CCc1cc(C(=O)N[C@H]2CC(=O)N(C3CN(C(=O)OC(C)(C)C)C3)C2)cc(OC)c1OC 1603241994 DPKSQJDFXSMKBJ-KRWDZBQOSA-N 459.543 2.382 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1CCS(C)(=O)=O 1613561235 APVGBZAIDTXYMF-UHFFFAOYSA-N 488.614 2.161 30 10 JEEE CCCC1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)CCC1 1614425928 FBZYICXYEBREOO-OXQOHEQNSA-N 454.572 2.023 30 10 JEEE CCOCc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CCCC(=O)NC1CC1 1616910045 ATMDQMQMTFCAOE-UHFFFAOYSA-N 455.538 2.211 30 10 JEEE COc1cc(OC)cc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC(=O)N(C)C2CCCCC2)c1 1619135416 HWWNVTWKOPDYJR-OAQYLSRUSA-N 468.558 2.482 30 10 JEEE COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(F)ccc1SC 1619912551 GMAQHFXGJJTRJZ-OAHLLOKOSA-N 467.592 2.456 30 10 JEEE C#C[C@@H](NC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1F 1631538395 PRAGGJYKNMHFKH-OAHLLOKOSA-N 454.867 2.339 30 10 JEEE C#CCN(C(=O)CC1(O)CN(C(=O)OC(C)(C)C)C1)C1CCN(C(=O)OC(C)(C)C)CC1 1634818282 PAPRUSGLVKLBRH-UHFFFAOYSA-N 451.564 2.220 30 10 JEEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1[C@@H]1C[C@H]1C(C)C)[C@@H]1CCS(=O)(=O)C1 1689982442 NGSDNFWOWZODCD-YZGWKJHDSA-N 476.624 2.192 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1Cc1ncccc1N(C)C)[C@H]1CCS(=O)(=O)C1 1689985927 FKZAEKQQKITSQJ-SFHVURJKSA-N 480.594 2.090 30 10 JEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1C[C@@H]1CCCOC1)[C@@H]1CCS(=O)(=O)C1 1689993943 OBCXYPBPNYZYDK-LEWJYISDSA-N 472.611 2.125 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@@]2(O)CCO[C@H]2C)CC1 1690113238 DODCASNKFUOOEQ-KKSFZXQISA-N 460.376 2.003 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@@]2(OC)CCOC2)CC1 1690137807 JGUJYTGIKZAKSB-CJAUYULYSA-N 485.560 2.329 30 10 JEEE C#CCSCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1690181403 XGRKPOVERJMNHD-GOSISDBHSA-N 472.640 2.235 30 10 JEEE C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C)C(C)(C)C1 1690228703 CYKIHAMCTWXSBA-HIFRSBDPSA-N 476.441 2.392 30 10 JEEE C=C(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1690287499 FCRRQDIWGZHDEG-GOSISDBHSA-N 487.605 2.441 30 10 JEEE C=CCCOCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1690508140 BRSNOCKGADGVIN-XLIONFOSSA-N 462.572 2.397 30 10 JEEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1690605739 VPULAUTXFYESHX-HSZRJFAPSA-N 467.551 2.194 30 10 JEEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1690632577 DBVBCCFHYQWTOW-UHFFFAOYSA-N 482.566 2.076 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](OCC(C)C)C1 1690672059 GNSPPCWFOYLRMO-RBUKOAKNSA-N 492.621 2.140 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCN(Cc2cc(C)on2)CC1 1690675939 KHZLDJRDDAJFCF-UHFFFAOYSA-N 479.585 2.395 30 10 JEEE C=CCOc1ccccc1Cn1c(-c2cnccn2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1690682381 MXXWMFAYMAOMQQ-UHFFFAOYSA-N 483.598 2.208 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1690725269 KIYDFJRUZCHWRJ-OAQYLSRUSA-N 488.589 2.019 30 10 JEEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2Cc2ccc(OCC(F)(F)F)nc2)CCOC1 1696083743 ARQHBGKJHYPWNA-OXQOHEQNSA-N 482.463 2.043 30 10 JEEE COc1cc(OC)cc(-c2nnc(N3CCC(CC#N)CC3)n2CC2(O)CCS(=O)(=O)CC2)c1 1697304311 HJCGKCUCYJQRLA-UHFFFAOYSA-N 489.598 2.032 30 10 JEEE COCC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cscc2C)CC1 1697712278 IDNAKICQIDUATO-UHFFFAOYSA-N 466.567 2.442 30 10 JEEE COCCN(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1698032561 BEUJCFPZTHXHSY-CPJSRVTESA-N 484.601 2.081 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccc(C)n3)n2C[C@@](C)(O)CCOC)c1 1705504914 FVSVRGLNZXDSMY-VWLOTQADSA-N 462.554 2.492 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CCc1sc(C)nc1C)[C@@H]1CCS(=O)(=O)C1 1705569198 DMFSWKZLAWIHKC-LJQANCHMSA-N 470.624 2.207 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1CC[C@H](C(F)F)N1CCOCC1 1705583083 PROOCTWUZADYEZ-NQIIRXRSSA-N 471.508 2.219 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H](c2ccco2)N(C)C)CC1 1705645476 VGDGSUKNYFAMIE-RLWLMLJZSA-N 498.628 2.180 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2csc(N3CCOCC3)n2)n1CCCNC(=O)C(C)C 1705672009 HGULDMJGBOHWHK-HSZRJFAPSA-N 471.631 2.393 30 10 JEEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@H](c2nnc(C(C)C)o2)C1 1705888201 KIXSPAXOLYTTBS-GOSISDBHSA-N 487.586 2.466 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCC(OCC(N)=O)CC1 1705896637 SQPLFBYGPXDBLC-UHFFFAOYSA-N 472.615 2.048 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2cccn2C)n1CC1(O)CCOCC1 1712442588 CEQLGOYOENHREJ-UHFFFAOYSA-N 450.543 2.350 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccn(-c2ccc(F)cc2)n1 1722295762 MBZIYMDJKRIJBE-IRXDYDNUSA-N 456.547 2.206 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCCO3)n2CC2(S(C)(=O)=O)CC2)c1 1722310403 VLIGXTQXGPEVDH-LJQANCHMSA-N 471.583 2.153 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1CCCc1nnc(C)s1)[C@H]1CCS(=O)(=O)C1 1722370215 APNGKFWERBXUCL-KRWDZBQOSA-N 476.653 2.350 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccnc(OCC(F)(F)F)c2)CC1 1722440797 KEMWZYRZQGRQOX-ICSRJNTNSA-N 494.518 2.142 30 10 JEEE C#CCSCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[C@@H](C(N)=O)C1 1722453986 GKUIKPXAKWVEGB-CQSZACIVSA-N 464.389 2.394 30 10 JEEE C=CCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1722623519 HLSIDPDCYWWAES-FQEVSTJZSA-N 470.599 2.118 30 10 JEEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](F)[C@@H](c2ccccc2)C1 1722628690 AJGSFEPXFQMFQB-NJDAHSKKSA-N 493.605 2.146 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1722695267 YGWJUEZGAUWOAX-UAVUOLJFSA-N 471.558 2.037 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC(CCN2CCCC[C@@H]2C)CC1 1722698320 YNWFAONGCMBOMD-IBGZPJMESA-N 454.623 2.462 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCSC[C@H]2C)cc1 1722703303 YWJCXPCHRPZWPW-HZPDHXFCSA-N 451.618 2.443 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC(CC#N)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1722703873 KASSLSDMCZINFN-HDICACEKSA-N 457.579 2.481 30 10 JEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2nccs2)C1 1722738420 JEOIBRZJHQJHBP-CABCVRRESA-N 455.631 2.134 30 10 JEEE CC(=O)NC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCCC2(C)C)CCO1 1722847406 BIGZSVNEFGYVQY-SQJMNOBHSA-N 482.585 2.011 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CC1(S(C)(=O)=O)CCC1 1727208255 CRYJXEBHRXACED-HXUWFJFHSA-N 450.609 2.294 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCc1ccccn1)[C@H]1CCS(=O)(=O)C1 1740619288 NHZHIRABQWHZDS-FQEVSTJZSA-N 466.523 2.118 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CC1([S@](C)=O)CCC1)[C@H]1CCS(=O)(=O)C1 1740626271 SXSGDPZPBULQBU-KNTRGWTASA-N 496.605 2.075 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](c2ccccc2)N(CC)CC)CC1 1740688327 DLHYKAMUQWXURI-JOCHJYFZSA-N 451.619 2.255 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N(C)CCS(C)(=O)=O 1740753892 OYBLTNGOLCSKAP-UZLBHIALSA-N 464.588 2.424 30 10 JEEE C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CCN2[C@@H](C)CC[C@@H]2C)CC1 1740777618 RAKGJPYSXXJAOR-PMACEKPBSA-N 452.607 2.496 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](c2cccs2)N(C)C)CC1 1740840355 WPTTXLBAYOYUGK-MOPGFXCFSA-N 494.687 2.378 30 10 JEEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 1740943636 CCJBMMVAKVSCSM-UHFFFAOYSA-N 457.516 2.481 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1740951610 JHPQEEZXSMRKGV-GOSISDBHSA-N 485.564 2.197 30 10 JEEE C=CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1740997316 YICWJVKZBSLHTK-WMZOPIPTSA-N 475.018 2.496 30 10 JEEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCOC[C@@H]2CCOC2)[C@H](C)C1 1741055135 FGEFKFGQUJWZAR-KNQAVFIVSA-N 482.585 2.229 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC1(c2ccc(F)cc2)CC1 1741922101 FHCKFTUQBIYPJB-VBKZILBWSA-N 450.515 2.201 30 10 JEEE CCOc1ccc(-c2nnc(N(C)C[C@@H](C)C#N)n2CCC(=O)N2CCOCC2)cc1OC 1746778956 FRDVZHOVDUNFEN-KRWDZBQOSA-N 456.547 2.197 30 10 JEEE CO[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(c2ccccc2C#N)CC1)C(C)C 1748415486 AMJCUZKAMMFZQD-NQIIRXRSSA-N 489.646 2.148 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1CC1(O)CCS(=O)(=O)CC1 1748655219 SZVCGEGZNZWNIP-OAHLLOKOSA-N 481.416 2.414 30 10 JEEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)N(C)C2CCCCC2)CC1 1748713810 TZIZZQDPYRXRAR-UHFFFAOYSA-N 466.634 2.395 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CC1(COC)CCC1)[C@@H]1CCS(=O)(=O)C1 1748808690 GAYXROPNQFWZML-LJQANCHMSA-N 458.584 2.397 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CCn1cc(Cl)cn1)[C@H]1CCS(=O)(=O)C1 1748824217 LKXUWAFIYUEIGJ-IBGZPJMESA-N 489.001 2.342 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC2(O)CCC2)CC1 1749003241 CFGBINYGUWZWFN-UHFFFAOYSA-N 459.497 2.427 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCOc2ccc(F)c(F)c2)CC1 1749009440 IZEIEDYYAOTSIZ-GOSISDBHSA-N 473.524 2.495 30 10 JEEE C#CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](C)O[C@@H](COC)C1 1749037983 LXKQQMZWMQLBHH-OTWHNJEPSA-N 495.646 2.193 30 10 JEEE C#CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)CCn1cccn1 1749038599 LNGQVHLGCYJHSK-UHFFFAOYSA-N 451.604 2.151 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@]1(C)COCCO1 1749147711 PFKIRZKIWUCWCG-QFIPXVFZSA-N 463.604 2.403 30 10 JEEE CC(C)(C)Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC1(CS(C)(=O)=O)CC1 1750473341 BHJWDGZDIPEVDD-UHFFFAOYSA-N 471.631 2.285 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2CCOCCN(C)C)CC1 1760256549 ZCHLUZNZFHXXNL-LJQANCHMSA-N 456.660 2.465 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCO[C@@H]1C(C)C 1760337390 PNLPTZPUZYDTKV-GBESFXJTSA-N 455.625 2.075 30 10 JEEE C=C(C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1760345790 UOIOBJQLAVEZDF-MOPGFXCFSA-N 462.595 2.310 30 10 JEEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](COC)C1 1760374110 IMULRKRIRBIJQI-CVEARBPZSA-N 457.959 2.191 30 10 JEEE C=C(Cl)Cn1c(COc2ccccc2OC)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1760380221 WBUMTZGFVHDUSU-IBGZPJMESA-N 474.949 2.385 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CCO[C@H](Cn2cccn2)C1 1760519242 XANNOEBPMKRBSZ-SFHVURJKSA-N 486.374 2.112 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1760524930 OBHUIUAQYRBNOX-INIZCTEOSA-N 466.508 2.253 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC2(O)CCN(C(C)C)CC2)C1 1760538794 WKJWCVQECALCQP-SQJMNOBHSA-N 477.650 2.335 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CC[C@@H](C(=O)OC)C1 1760554041 PJAJSQIRNJNMBK-QGZVFWFLSA-N 471.539 2.200 30 10 JEEE CCNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1767171299 BAJRNPQJLUOPAA-LJQANCHMSA-N 463.586 2.474 30 10 JEEE C#CCOC(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2cccc(Br)c2)cc1 1859009210 FNPRFRSOZJWILC-UHFFFAOYSA-N 465.325 2.470 30 10 JEEE COc1cc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2CCO)cc(OC)c1OC 1862762172 COLBHFXVICXUPB-SFHVURJKSA-N 458.423 2.191 30 10 JEEE CC(=O)Nc1ccc(-n2nnc(C#N)c2NC(=O)c2ccc3c(c2)C(=O)N(C(C)C)C3=O)cc1 1870143044 SOZNQMFEVGQALN-UHFFFAOYSA-N 457.450 2.354 30 10 JEEE CCOc1cccc(/C=N/n2c(CNC(C)=O)nnc2SCC(=O)NCc2ccco2)c1 1874433725 VCHPGKYVEIZJIF-BHGWPJFGSA-N 456.528 2.197 30 10 JEEE CCN1CCN(CC#CCOC2CCN(C(=O)C3(c4ccccc4OC)CCOCC3)CC2)CC1 1890343204 WDERZGDDMWXGSI-UHFFFAOYSA-N 483.653 2.392 30 10 JEEE COC[C@@]1(C(=O)N2CC=C(B3OC(C)(C)C(C)(C)O3)CC2)CN(C(=O)OC(C)(C)C)CCO1 2180984745 LAGZIUFPQJOIBB-HSZRJFAPSA-N 466.384 2.429 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CO)CNC(=O)c1cccc(Cl)c1B1OC(C)(C)C(C)(C)O1 2256093480 DVUWVTHCJVSJRN-ZDUSSCGKSA-N 454.760 2.255 30 10 JEEE C=C(CN(C)C(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](O)C(F)(F)F)B1OC(C)(C)C(C)(C)O1 2256677550 FQCGYEHESBLIBW-OLZOCXBDSA-N 452.279 2.449 30 10 JEEE Cc1cc(CNC(=O)[C@H](CO)CNC(=O)OC(C)(C)C)sc1B1OC(C)(C)C(C)(C)O1 2256678414 NBPUXAMYMCSVCN-AWEZNQCLSA-N 454.398 2.105 30 10 JEEE CC(C)(C)OC(=O)NC12COC(C(=O)Nc3ncc(B4OC(C)(C)C(C)(C)O4)s3)(C1)C2 2256678985 ILUYKQTZQOYGJN-UHFFFAOYSA-N 451.354 2.207 30 10 JEEE Cc1c(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2266990730 VWICIEIHRZOQAI-OAHLLOKOSA-N 450.389 2.307 30 10 JEEE Cc1sc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2O)cc1B1OC(C)(C)C(C)(C)O1 2267113148 PTOAVHYOLGJOLL-HOTGVXAUSA-N 466.409 2.456 30 10 JEEE Cc1nn(C)c(C(=O)N2C[C@H]3C[C@H]2[C@@H]3NC(=O)OCc2ccccc2)c1B1OC(C)(C)C(C)(C)O1 2267134714 SZUFGORANJHCHH-WSTZPKSXSA-N 480.374 2.167 30 10 JEEE Cc1cc(C(=O)N[C@]2(CO)CCN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2267149273 KICLARZQVDHTCH-JOCHJYFZSA-N 466.409 2.457 30 10 JEEE CC(C)C[C@@H](CNC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2267184926 YLHGVAXKSIIXNN-HNNXBMFYSA-N 450.389 2.389 30 10 JEEE CC1(C)OB(c2csc(S(=O)(=O)NCC3CCN(C(=O)C(F)(F)F)CC3)c2)OC1(C)C 2267369218 TYVMCDZHQIEXOP-UHFFFAOYSA-N 482.355 2.127 30 10 JEEE C[C@@H]1CCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C[C@@H]1NC(=O)C(F)(F)F 2267412477 NMGDJIGDMMOLHY-YPMHNXCESA-N 482.355 2.125 30 10 JEEE CC(C)(C)OC(=O)N[C@@]1(CNS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)CCOC1 2267715800 CRNIWYBUDTWKTK-HXUWFJFHSA-N 488.437 2.009 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@@]1(CO)C(=O)NCc1sccc1B1OC(C)(C)C(C)(C)O1 2268639993 SXPOGFZVHLWVIW-JOCHJYFZSA-N 466.409 2.426 30 10 JEEE CC(C)(C)OC(=O)N1CCCC[C@@H]2[C@H](C(=O)N=c3nc(B4OC(C)(C)C(C)(C)O4)[nH]s3)[C@H]21 2268720094 PRLJUAROXJDQMF-RDBSUJKOSA-N 464.397 2.233 30 10 JEEE CC(C)(C)OC(=O)N[C@]1(C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)c2F)C[C@H](O)C1 2268722999 MCWUMUYFSQMPHZ-NHPVSCMHSA-N 450.316 2.482 30 10 JEEE Cn1ncc(C(=O)N[C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)c1B1OC(C)(C)C(C)(C)O1 2281813478 CZQFEEMYEZYCGF-CEWLAPEOSA-N 450.392 2.360 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)C[C@]12CCOC2 2281822290 JNRUUDBRVBCSPF-MWTRTKDXSA-N 462.352 2.477 30 10 JEEE Cn1ncc(C(=O)N2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)c1B1OC(C)(C)C(C)(C)O1 2281824919 XTDFNNQWSOFRLH-JKSUJKDBSA-N 460.384 2.048 30 10 JEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CCCCC[C@H]2NC(=O)OC(C)(C)C)n1 2281951245 HINXASALAUBLIJ-HUUCEWRRSA-N 463.388 2.070 30 10 JEEE CC1(C)OB(c2cnc(C(=O)NCc3ccc(NC(=O)C(F)(F)F)cc3)nc2)OC1(C)C 2282026339 YMKJIFBGMMXINR-UHFFFAOYSA-N 450.226 2.207 30 10 JEEE Cn1ncc(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 2282035868 APWPAPUFAAMUDF-VYDXJSESSA-N 460.384 2.095 30 10 JEEE CN(CCOCCNC(=O)OC(C)(C)C)C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2282052619 PEWSCOLLWIBNTJ-UHFFFAOYSA-N 467.347 2.133 30 10 JEEE Cn1cc(C(=O)N2C[C@@H]3CCC[C@H](C2)N3C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2282055985 LRPKQVCSYZCHKZ-IYBDPMFKSA-N 460.384 2.333 30 10 JEEE Cc1nn(C)c(C(=O)N[C@H]2C[C@@](F)(CNC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2282056348 QZYDNLYYMXHENY-CAJLXGCNSA-N 466.363 2.153 30 10 JEEE Cc1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H](O)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2282103808 SRYHRUKXCUTQAX-KRWDZBQOSA-N 460.380 2.348 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@]2(NS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282352927 COOFSKQJJASSQT-QRQCRPRQSA-N 479.408 2.059 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C3(CC3)C2)n1 2282543410 OOLUJQFZUKBRJB-HNNXBMFYSA-N 460.384 2.381 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCCN1C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2282614598 JUHABZZWFHEWSN-LSDHHAIUSA-N 463.388 2.022 30 10 JEEE CC(C)[C@H](CN(C)Cc1ccccc1)NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282868964 VOZWVBZFJYHOIC-FQEVSTJZSA-N 476.452 2.154 30 10 JEEE C[C@H]1CN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1CCNC(=O)OC(C)(C)C 2283065233 ZNZUMWQBQRCAKW-HOTGVXAUSA-N 460.384 2.399 30 10 JEEE C[C@H](OCc1ccccc1)[C@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1O)C(=O)O 2284476488 LMWLLUVJGWYWHQ-YWZLYKJASA-N 455.316 2.480 30 10 JEEE Cc1cc(C)c(C)c(S(=O)(=O)N=C2C=C3N(CCO)CCO[C@]3(O)c3ccccc32)c1C 2293308496 NCQREQTZXWVHTB-XMMPIXPASA-N 456.564 2.465 30 10 JEEE COc1ccc(NC(=O)[C@H](CNC(=O)OC(C)(C)C)OC)cc1B1OC(C)(C)C(C)(C)O1 2339735148 FTSAXTYNHRPWBV-KRWDZBQOSA-N 450.341 2.473 30 10 JEEE COC(=O)c1ccc(/C=N/Nc2nnc(SCC(=O)NC3C4CC5CC(C4)CC3C5)n2N)cc1 20913277 KKMLWFCTCJITSJ-OPEKNORGSA-N 483.598 2.258 30 10 JEEE CCOc1cc(/C=N/Nc2nnc(SCC(=O)Nc3cccc([N+](=O)[O-])c3)n2N)ccc1O 21326639 FMDRLOWSGUTFKD-UFFVCSGVSA-N 472.487 2.181 30 10 JEEE CCc1nnc(NC(=O)CSc2n[nH]c(N/N=C/c3cc(OC)c(O)cc3[N+](=O)[O-])n2)s1 59040081 BSBGQGPTMHCZLC-UBKPWBPPSA-N 479.504 2.018 30 10 JEEE CCc1nnc(CNC(=O)CSc2n[nH]c(N/N=C(\C)c3ccc(OC)c(OC)c3)n2)o1 59879304 ZOEWETMEOIDTSQ-SSDVNMTOSA-N 460.520 2.012 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CCCCN1c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 215692412 CPSRLOMYQNJJOU-FUHWJXTLSA-N 489.426 2.164 30 10 JEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NC[C@@H](c2cccs2)N2CCCC2)CC1 514564541 LAGKTHFHJNTSME-IBGZPJMESA-N 473.624 2.473 30 10 JEEE COc1cccc(/C=C/C(=O)[C@@H]2CNCC[C@@H]2NC(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)c1 585830823 GQCZNELOYRHJGF-HXRQLVFQSA-N 461.518 2.057 30 10 JEEE CC1CCC(C#N)(N(C)C(=O)[C@@H](C)OC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 824796352 GYNVSTUVKDLXCW-FRIYVGAWSA-N 477.583 2.184 30 10 JEEE C=CCCC[C@H](NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(C)=O)cc1)C(=O)OC 1155468692 YGOLOVHTBFVWAY-PMACEKPBSA-N 450.557 2.447 30 10 JEEE C=C[C@@H]1OCC[C@H]1NC(=O)N(C)Cc1cccc(Br)c1OCCS(C)(=O)=O 1228508087 MHEGLEUUEPUEGV-CVEARBPZSA-N 461.378 2.357 30 10 JEEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1286337975 ZYGBHBDUKAEMNF-KRWDZBQOSA-N 461.364 2.277 30 10 JEEE C#CCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCN(C(=O)COC)CC1 1286339447 MCFQSSJFGADYLA-UHFFFAOYSA-N 476.375 2.425 30 10 JEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2ccc(F)cc2F)C1 1286349966 RLUKUMMRTFJPJZ-HNAYVOBHSA-N 450.511 2.450 30 10 JEEE C#CCCCn1c(Cc2ccccc2OC)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1286351408 QOPWLLIDWNWEDT-OAQYLSRUSA-N 450.543 2.058 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CC1(C)COC1)[C@@H]1CCS(=O)(=O)C1 1286387494 FOMOCSQYHNFPPV-LJQANCHMSA-N 488.610 2.404 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@H](C)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1286387958 XEOVOPNZXCWNJO-OALUTQOASA-N 459.616 2.311 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(Br)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1286401401 MIHGAFAOFANSLE-INIZCTEOSA-N 476.400 2.062 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccc(C)cc1)N1CCCC1 1286409390 KXUDANNDKSQELA-PKTZIBPZSA-N 465.623 2.399 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1c(C)nn(C)c1C 1286427304 BVZBARMKKGYZIT-OAQYLSRUSA-N 481.601 2.448 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1sc(C)nc1C 1286459738 HENVJIWGVVSFQW-UHFFFAOYSA-N 488.639 2.403 30 10 JEEE C#CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1286467334 VFXCJSVYHGJLNA-GOSISDBHSA-N 475.519 2.487 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccccc2OC(F)F)CC1 1286494451 UBTCKXUMFBISGB-SFHVURJKSA-N 459.497 2.398 30 10 JEEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(c2cnccn2)CC1 1286592603 MXBHSHWPUBAPOC-GOSISDBHSA-N 470.578 2.279 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1286785734 RHPBSIZQUHUEBB-FQEVSTJZSA-N 451.531 2.050 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(Cc2cc(C)on2)CC1 1286792494 ZPMLJQJGYNMGKK-UHFFFAOYSA-N 479.585 2.395 30 10 JEEE C=CCNC(=O)Cn1c(N2CCO[C@@H](c3cccc(OC)c3)C2)nnc1[C@]1(OC(C)C)CCOC1 1286794172 YQJRECZIGJFWIZ-BWKNWUBXSA-N 485.585 2.207 30 10 JEEE C[C@H]1C[C@@H](C)CN(CCCn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@@H](C#N)C2)C1 1291014672 GQVYCCBDJRYFNO-OTWHNJEPSA-N 471.631 2.366 30 10 JEEE CCCN1CCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1294744732 BMCPWYPKDXKXSM-IRLDBZIGSA-N 485.658 2.457 30 10 JEEE CCN(c1nnc(COc2ccc(C#N)cc2)n1CCc1ccncc1)[C@@H]1CCS(=O)(=O)C1 1295249921 HRSYORSNMFLPPS-HXUWFJFHSA-N 466.567 2.380 30 10 JEEE C#CCn1ccc(CN(CCOC)C(=O)c2ccnc(Cl)c2I)n1 1297349436 BJNBIWVVXOPJIO-UHFFFAOYSA-N 458.687 2.458 30 10 JEEE CO[C@H](C)c1nc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(S(C)(=O)=O)CC2)cs1 1299518681 BAQSESYGVCMXHO-OAHLLOKOSA-N 487.611 2.111 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)Nc2ccccn2)n1CC(=O)N(C)CC 1301340917 LYILYCUSIBBFGL-UHFFFAOYSA-N 458.526 2.468 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccncc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1301355135 QHCYAYJYMCMBEP-QHCPKHFHSA-N 471.558 2.145 30 10 JEEE C=CCn1c(COc2ccccc2OC)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1301472817 QHXKDPSGHGHEPF-OAQYLSRUSA-N 470.618 2.283 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1301501449 XFWDMNXXVYFAFI-QZTJIDSGSA-N 462.595 2.168 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1301506729 PXECFOOCVGSODW-SFHVURJKSA-N 458.538 2.414 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@H](C)CC[C@H]1C 1301586366 RUAWPZFKKOVLIF-IAGOWNOFSA-N 470.599 2.418 30 10 JEEE C=CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](C(N)=O)C1 1301611216 JOQVVZAQFGMEFE-DLBZAZTESA-N 480.635 2.207 30 10 JEEE CC[C@@H](C)NC(=O)c1cccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)c1 1305622640 HCTXGRYBXKKHPD-SJORKVTESA-N 487.630 2.205 30 10 JEEE CC(C)(C)OC(=O)NC1(CNC(=O)N2CCO[C@H](C#N)C2)CCN(Cc2ccccc2)CC1 1312850700 CZPSZNBAMSHDGA-HXUWFJFHSA-N 457.575 2.480 30 10 JEEE CCOC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCC[C@H]2C)CC1 1314022845 DKDYVRVLQUQSSU-LJQANCHMSA-N 467.574 2.492 30 10 JEEE CCS(=O)(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCCO2)CC1 1314547173 HDFFNGOKQUXEBM-NRFANRHFSA-N 488.614 2.206 30 10 JEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1OCC(C)C)[C@@H]1CCS(=O)(=O)C1 1358955813 UMUXSZHFBPHYNW-OAQYLSRUSA-N 499.637 2.224 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCS(=O)(=O)C(C)(C)C 1358976634 LPYOUEDRAZEELF-UHFFFAOYSA-N 494.621 2.351 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(Br)c[nH]2)n1CC(=O)NCC(F)(F)F 1358986827 INSCXUYJTNCTQB-UHFFFAOYSA-N 457.254 2.177 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCOC2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1358993234 IRUBIBMOMRCFBN-MOPGFXCFSA-N 453.509 2.288 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(C)C)n1CCS(=O)(=O)C(C)(C)C 1359015568 XVHIWJPASLXPJX-UHFFFAOYSA-N 463.579 2.409 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@](C)(O)c2cc(C)oc2C)CC1 1359044849 PWUYZHAQAIEUKT-CPJSRVTESA-N 469.586 2.255 30 10 JEEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1 1359121979 QHZFFXLOYDVPMH-KRWDZBQOSA-N 463.991 2.372 30 10 JEEE C=C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCNS(=O)(=O)c2ccccc2)CC1 1359160474 VYOFDYDNUGQSKI-JOCHJYFZSA-N 461.588 2.065 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)c2ccccn2)CC1 1359178965 HZELBQSTTQGOLY-LJQANCHMSA-N 474.631 2.386 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCSCC1)C(C)C 1359265669 KCLNAWTWTWUISP-RBUKOAKNSA-N 453.678 2.432 30 10 JEEE C=CCOc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CCCN(CCC)C(=O)C2)cc1 1359308311 KNQHRRKMWSJICW-UHFFFAOYSA-N 466.586 2.462 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1359329591 ODMJIXHHXRCWCZ-ROUUACIJSA-N 475.615 2.236 30 10 JEEE CC(C)[C@](C)(O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1360670242 GLSJLIUVPSDSLI-UZUQRXQVSA-N 472.615 2.461 30 10 JEEE Cn1cnc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@H](OCC(F)(F)F)C2)n1 1503671014 AAZYPEWDYGKVJO-KRWDZBQOSA-N 476.463 2.453 30 10 JEEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1507570750 VAXOOGNTWCOPBW-UHFFFAOYSA-N 484.626 2.148 30 10 JEEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)Cc1ccc(C(N)=O)cc1 1507582744 JGZBUFWIWLHBDQ-UHFFFAOYSA-N 465.583 2.387 30 10 JEEE C#CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@H]1CCS(=O)(=O)C1 1507611919 SQHNROKWUDYRBK-CYBMUJFWSA-N 453.362 2.220 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2C[C@H](C)CN2CCOCC2)CC1 1507740171 JLZWINSTEWJOST-JOCHJYFZSA-N 494.640 2.100 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2(CCOC)CCC2)CC1 1507741356 ZYYVAUHEIBUUKB-UHFFFAOYSA-N 467.618 2.312 30 10 JEEE C#CCSCCn1c(-c2ccccc2F)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1507748001 LKRXDIXGPQSETP-JOCHJYFZSA-N 456.547 2.265 30 10 JEEE C#CCSCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@H](C(N)=O)C1 1507756191 YJPOFRPIMHUOCR-ZWKOTPCHSA-N 476.647 2.461 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N(C)CCS(=O)(=O)CC 1507806525 SNLWJPIIMHFCHS-VQIMIIECSA-N 453.634 2.486 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC[C@@H](Oc3ccccc3)C2)nnc1[C@]1(OCC)CCOC1 1508096984 FFLJVRXXDCYBOH-YKSBVNFPSA-N 455.559 2.280 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1508106754 WKCNLFJZRHHIKE-QZTJIDSGSA-N 475.615 2.385 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H]1c1nncn1C 1508143299 GCASDVPNQJBISC-GOSISDBHSA-N 459.551 2.079 30 10 JEEE CC(C)(C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(Cn2cncn2)CC1 1508464412 FRDSPOZABNOTNX-UHFFFAOYSA-N 461.574 2.487 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCc1ccc(N(C)C)cc1)[C@H]1CCS(=O)(=O)C1 1539220464 JONIUDDLTAAVDY-IRLDBZIGSA-N 471.627 2.108 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1CC(C)(C)OC)[C@H]1CCS(=O)(=O)C1 1539231175 SMLSWRYNXNPXFL-INIZCTEOSA-N 450.536 2.048 30 10 JEEE C#CCN(CC)c1nnc(COc2ccc(Br)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1539377779 MLOSGHYCTHERSU-MRXNPFEDSA-N 496.431 2.361 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC)n2C[C@@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)CC1 1539483520 ZTZKMLTXNRYSPH-IEBWSBKVSA-N 458.607 2.452 30 10 JEEE C=C(C)COCCn1c([C@H]2CCCO2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1539760266 ZVVGEZRZIRYUDA-PZJWPPBQSA-N 460.623 2.292 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1539917570 FPHKWLLDCQMSJZ-FPOVZHCZSA-N 465.602 2.180 30 10 JEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(OC(C)(C)C)CC1 1540006653 VKMCUZWTCJZWRL-SFHVURJKSA-N 455.625 2.361 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCS(=O)(=O)C1 1540147098 NHIITWPQJNWUQP-IRXDYDNUSA-N 484.669 2.259 30 10 JEEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@]1(O)CCN(C)C1 1540182070 IBEFGXWPWMSUGT-DEOSSOPVSA-N 485.610 2.243 30 10 JEEE C=CCNC(=O)Cn1c(N2CCN(Cc3ccccc3)C[C@H]2C)nnc1[C@]1(OC(C)C)CCOC1 1540876165 JBWNVDOUQUNAMQ-RLWLMLJZSA-N 482.629 2.332 30 10 JEEE C=CCOc1ccccc1Cn1c(-c2ccccn2)nnc1N1CCN(CC(=O)NCC)CC1 1540879618 JTFVDOFRPQTJFA-UHFFFAOYSA-N 461.570 2.211 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1540900852 KDGZVSAGZBRWSU-KRWDZBQOSA-N 478.619 2.330 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC(c2ccc(O)cc2)CC1 1540901515 GGDSRCHSJVQUKR-UHFFFAOYSA-N 454.556 2.426 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCOC[C@H](C3CCC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1540908959 SPRGZAUFXGTSSO-NFBKMPQASA-N 482.647 2.172 30 10 JEEE CC(C)NS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 1541710141 DELGTIZUUCKSDN-UXHICEINSA-N 458.588 2.292 30 10 JEEE CCNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCC[C@H]2C)CC1 1547776012 AAESFXVUHPCMLE-LJQANCHMSA-N 466.590 2.065 30 10 JEEE CS(=O)(=O)c1cccc(-c2nnc(N3CCC(C#N)CC3)n2CCCN2CCCCC2=O)c1 1555792241 AODAFVOWQBSYNE-UHFFFAOYSA-N 470.599 2.491 30 10 JEEE CSCc1cccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)c1 1555889630 CVURCAXHILZCKX-AUUYWEPGSA-N 452.581 2.242 30 10 JEEE CC(C)(CC#N)CNC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c1ccccc1Br 1556957468 BDWNBOVOPCBDDJ-OAHLLOKOSA-N 458.378 2.038 30 10 JEEE C#C[C@H](NS(=O)(=O)c1cc2c(cc1Br)n(C)c(=O)n2C)c1ccc(F)cc1 1561590147 DOZWCIMISYOCCX-AWEZNQCLSA-N 452.305 2.431 30 10 JEEE C#CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1587702071 NHKODNUUURIJFY-UHFFFAOYSA-N 497.987 2.186 30 10 JEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 1587766111 ONEKMVWFZZWLAM-AEFFLSMTSA-N 474.583 2.055 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1CCN(CC)CCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1588049980 ORXOUEABLNJJGF-GOSISDBHSA-N 484.548 2.241 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccn3C)n2C[C@H]2CCOC[C@H]2C)n1 1588722996 IUHQCBSFTCIASJ-WOJBJXKFSA-N 451.575 2.439 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC2(C)COC2)CC1 1588961804 MTFOYHLKOBGRGR-UHFFFAOYSA-N 451.571 2.476 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@H](F)COC)CC1 1588962076 STGPQPGNNHAFRE-HXUWFJFHSA-N 457.550 2.424 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](c2ccnn2C)C1 1588975994 OPDSMBNJUAVOQS-QGZVFWFLSA-N 450.572 2.409 30 10 JEEE C=C(Cl)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1593826930 SUKZYGNLXKZOLV-OAHLLOKOSA-N 490.948 2.196 30 10 JEEE C=CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1594775672 WHELUXGKGDTNIR-RTBURBONSA-N 458.607 2.090 30 10 JEEE C=CCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1594788082 GMEOTSRJDCZERR-ROUUACIJSA-N 462.528 2.055 30 10 JEEE C=CCCOCCn1c(-c2noc3c2COCC3)nnc1N(C)C1CCC(NC(C)=O)CC1 1594806986 ASPLYCJBNTXGDE-UHFFFAOYSA-N 458.563 2.482 30 10 JEEE C=CCn1c(COc2ccccc2OCC)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1595446937 BAGDCNCMGAZPHN-IBGZPJMESA-N 454.575 2.185 30 10 JEEE C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCN(CC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 1636324854 XZFQEHPMMOXLTM-YJBOKZPZSA-N 456.465 2.442 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)N2CC[C@H](c3ncc(C(=O)OC)s3)C2)ccc1F 1636395682 XYQREWAYZKRHJL-ZDUSSCGKSA-N 453.517 2.163 30 10 JEEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC2(O)CCCCCC2)c1 1649667471 GMSDGKCRPBKDQQ-IBGZPJMESA-N 488.614 2.009 30 10 JEEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(S(=O)(=O)c2ccccc2)CC1 1689887312 XATXJQLYPRGECE-HXUWFJFHSA-N 455.584 2.475 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1CC[C@@H](SCC)C1 1689929714 CPFLSWCAKMPDFP-KURKYZTESA-N 455.650 2.135 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CCCC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1689983885 IHFVSEZFWDQLDZ-SFHVURJKSA-N 463.991 2.094 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1Cc1cccc(NC(=O)OC)c1)[C@H]1CCS(=O)(=O)C1 1689993017 SXGFOBLVYGNTIM-IBGZPJMESA-N 459.572 2.330 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1CC(C)(C)OCC)[C@H]1CCS(=O)(=O)C1 1689996887 QGXXYGJYVBVVRS-KRWDZBQOSA-N 464.563 2.438 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)N2CCCC2)n1CC1(N(C)C)CCOCC1 1690087340 UCHFPPJOSGFIQK-UHFFFAOYSA-N 468.577 2.404 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCN(S(C)(=O)=O)C1 1690092418 HPNPTGUHUDEGHB-NRFANRHFSA-N 499.616 2.200 30 10 JEEE C#CCN1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2C[C@H](OC)C(C)(C)C)CC1 1690122044 CWJVGJHJUZKPLC-FQEVSTJZSA-N 463.586 2.008 30 10 JEEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 1690172964 SHAAARUOGJSSDF-AZUAARDMSA-N 481.688 2.369 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(OC)c(OCC)c(OC)c1 1690190422 UHCOIPLIIQLNTO-WAIKUNEKSA-N 491.614 2.345 30 10 JEEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1690470797 LOVPJAPRGGSDDA-NRFANRHFSA-N 482.633 2.123 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 1690722702 SFIFGHQPBZSBSX-KRWDZBQOSA-N 476.603 2.292 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1690724810 WWZYFMNXLKQRCT-OAQYLSRUSA-N 488.589 2.458 30 10 JEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC(N(C)c2ccccc2)CC1 1690728890 ADJSRKKEOPIJKC-UHFFFAOYSA-N 486.642 2.107 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2OC)nnc1N1CCS[C@@H](C)C1 1690729535 PFESEWJAGONITC-INIZCTEOSA-N 452.602 2.408 30 10 JEEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](C)C[C@H](C)C1 1690729824 STYQCMIAXJPUDV-HOTGVXAUSA-N 451.618 2.353 30 10 JEEE CCn1nc(-c2nnc(N(C)C[C@H](C)C#N)n2C[C@@](C)(O)CCOC)c2ccccc2c1=O 1695898629 BAGXFYJMEBYVOC-MWTRTKDXSA-N 453.547 2.058 30 10 JEEE C#CCN(c1nnc(COc2ccccc2CC)n1Cc1cccnc1OC)[C@H]1CCS(=O)(=O)C1 1705568693 SWKMBFAHGUJDBU-NRFANRHFSA-N 495.605 2.498 30 10 JEEE C#CCN(CC#CC)c1nnc(Cc2ccccn2)n1Cc1ccccc1S(=O)(=O)N(C)C 1705599638 SNPKHXYDSLXGRN-UHFFFAOYSA-N 462.579 2.025 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc4cccnc34)n2CC(=O)NCC(F)(F)F)CC1 1705646113 RMKQTQJAXLQVOA-UHFFFAOYSA-N 499.497 2.138 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCNC(=O)C(C)C 1705674595 MRTBCHRFKHVIPM-HOYKHHGWSA-N 474.606 2.351 30 10 JEEE C=C(C)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1705723241 HCWKOFYKFBMLHS-UHFFFAOYSA-N 470.393 2.374 30 10 JEEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1705725434 AGMZFBCONUNVFZ-VQTJNVASSA-N 476.622 2.464 30 10 JEEE C=CCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC[C@@H](C(N)=O)C1 1705822132 UMXCTFYBLDXLRX-OAQYLSRUSA-N 451.619 2.311 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1CCC2(CCN(C)C2=O)CC1 1705908008 FIDYSDKLMZGHBA-UHFFFAOYSA-N 484.626 2.330 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](CC)c2ccccc2)nnc1N1CCCN(CC)C(=O)C1 1705930817 WNZIJWBTRWSXBW-FQEVSTJZSA-N 459.616 2.479 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1705938000 KOJKZWMPPBJSFP-AUSIDOKSSA-N 476.599 2.151 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1705939462 XRALINXQNYQHDH-DLBZAZTESA-N 469.608 2.176 30 10 JEEE CC(C)Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCNC(=O)c1ccccc1F 1706421815 CSMRBLTWFREREW-SFHVURJKSA-N 491.575 2.422 30 10 JEEE CC(C)CN1CCO[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)C1 1706516785 GUWLTGWPRBWROL-KNKQGSTJSA-N 488.658 2.431 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OCC)CCOC3)n2C[C@H]2OCC[C@H]2C)c1 1722305945 WUBFBPAEZRNFMR-IOZGHAEBSA-N 467.570 2.411 30 10 JEEE C#CCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1722339967 IJIHMBJJEGBTLJ-LJQANCHMSA-N 462.558 2.419 30 10 JEEE C#CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1CCCNS(=O)(=O)CC 1722346690 VTDUJOSBERTSIX-UHFFFAOYSA-N 470.393 2.115 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H](C)c1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1722359097 PXZHFAGLMGGANX-AZUAARDMSA-N 457.600 2.155 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1cccc(Br)n1)[C@H]1CCS(=O)(=O)C1 1722362665 VUBDJXXPGQAXRZ-INIZCTEOSA-N 487.383 2.173 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@H]1N(C)CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1722363987 DHQDEBIFCYSZFZ-LEWJYISDSA-N 470.643 2.011 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCC(C)C)CC1 1722443179 DMVZQZFONVVWNB-UHFFFAOYSA-N 457.600 2.361 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2C[C@@](C)(O)CCC)CC1 1722446485 XUMAPWXNRWGEGZ-VWLOTQADSA-N 477.569 2.111 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@H]2CCO[C@H]2C(C)C)CC1 1722448594 FBXPUZPVHPXLON-GGAORHGYSA-N 450.587 2.291 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2Cc2ccc(N(C)C)nc2)CC1 1722449120 MUHNTKYUWCOAFL-UHFFFAOYSA-N 475.572 2.483 30 10 JEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](C(=O)N[C@H](C)CCC)C1 1722452461 GVUPLZWNDUFSIR-RTBURBONSA-N 460.648 2.402 30 10 JEEE C=CCCOCCn1c(-c2ccccc2OC)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1722626733 OYODBBMUOUKZMY-HXUWFJFHSA-N 468.558 2.313 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1722730243 MOGANHRYJOSUJX-KRWDZBQOSA-N 463.629 2.026 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)CCC2CCCC2)CC1 1722736962 OAKUQXNMRBCZEJ-HXUWFJFHSA-N 479.647 2.349 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](CC)N2CCCC2)c1 1740564188 DRCAXMPSDWXVPH-IRLDBZIGSA-N 498.653 2.111 30 10 JEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1740573274 ASPYHODSCKJEOU-NHCUHLMSSA-N 453.568 2.433 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCCOC1CCCCC1)[C@H]1CCS(=O)(=O)C1 1740620987 JJTKOFCCLMKDLW-IBGZPJMESA-N 460.604 2.045 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCc1nc2c(s1)CCCC2 1740640923 ZHZDVROGPFWOFN-QGZVFWFLSA-N 457.625 2.221 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2Cc2cccn(CC)c2=O)CC1 1740703237 KQZBKTACCPRVRV-UHFFFAOYSA-N 474.565 2.149 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C(=O)NCC)cc2)C1 1740971319 WAPGZUOGVUVLLZ-FQEVSTJZSA-N 452.559 2.093 30 10 JEEE C=CCSCCn1c([C@H]2CCOC2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1741003485 VWAUSPYRQIDZLH-VQTJNVASSA-N 456.616 2.050 30 10 JEEE CC(=O)NC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)CCCS2)CCO1 1741110836 HBHZCIOLMBEDJA-REWPJTCUSA-N 470.599 2.356 30 10 JEEE CC[C@H](C)NC(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1743893500 AIOCUZNGGOTLJM-UGKGYDQZSA-N 492.628 2.118 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CCc1ccc(OC)cc1OC)[C@H]1CCS(=O)(=O)C1 1748820004 WYZZGDBNEILTIP-NRFANRHFSA-N 495.605 2.151 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H]2CCCCS2)CC1 1749001521 VLRFKWYITKJSQP-IBGZPJMESA-N 460.648 2.448 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@]2(C)COCCO2)CC1 1749019587 ZVGNHNSWKQGNIZ-SANMLTNESA-N 481.597 2.245 30 10 JEEE C=C(Br)Cn1c(Cn2nc(C)cc2C)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 1749109185 FNLSDOPYMXGILZ-HNNXBMFYSA-N 459.414 2.308 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 1749114954 JNZRUJRMMCUAMA-VQIMIIECSA-N 472.550 2.344 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1749121081 KIEGQQPVVRNOFO-FKBYEOEOSA-N 450.543 2.139 30 10 JEEE C=CCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1749447820 OJUMDVYYTOKBEU-UHFFFAOYSA-N 463.586 2.154 30 10 JEEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC(NC(=O)COC)CC1 1749627140 FUDVWQVLHUAEBE-UHFFFAOYSA-N 462.595 2.310 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N(C)[C@H]1CCCc2c1cnn2C 1749680773 QRMLXHPQTDHXLB-SFHVURJKSA-N 465.558 2.415 30 10 JEEE C=CCNC(=O)Cn1c(N2CCO[C@H](C(C)C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1749681455 BMWJNKCAQLLCGN-KSZLIROESA-N 462.595 2.212 30 10 JEEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)N2CCOCC2)C[C@H]1C 1749873233 DBRBDVCXUUMYBX-HXUWFJFHSA-N 467.618 2.084 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1SCCc2ccccc21 1760118104 YBJRWAPEELVNMR-FFZOFVMBSA-N 475.640 2.100 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1cccs1)C[C@@H]1CCCO1 1760154172 BCXQRCLBLXTDKY-ICSRJNTNSA-N 493.655 2.272 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCCN1CC)[C@H]1CCS(=O)(=O)C1 1760183293 NZPTWXNWXNVCJV-YADHBBJMSA-N 466.611 2.318 30 10 JEEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1C[C@@H]1CCO[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1760191568 JQGLGEKHPHHQFO-XUVXKRRUSA-N 488.610 2.308 30 10 JEEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCCNc2ccc(C(F)(F)F)cn2)CC1 1760260509 VLZWXEDWGZTACD-UHFFFAOYSA-N 473.507 2.350 30 10 JEEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1760285119 XUQXDVZQLHCTJG-UHFFFAOYSA-N 479.591 2.171 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCS(=O)CC1 1760313063 IHNWTTZKVYSILU-MJGOQNOKSA-N 478.018 2.411 30 10 JEEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCS(=O)(=O)CC 1760346155 KLUVMEVQYHCILB-INIZCTEOSA-N 457.597 2.034 30 10 JEEE C=CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1760423447 ZWSZSYUREMKJFW-GOSISDBHSA-N 458.588 2.261 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1760551366 CINHAGGVROHLNG-LJQANCHMSA-N 494.017 2.027 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1760552412 MTPSUALYVAIWBS-HRAATJIYSA-N 450.536 2.069 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCCN(CC)C(=O)C1 1760554520 GJCHJZZNUOYWMR-UHFFFAOYSA-N 466.007 2.182 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@H]1CC[C@H](F)C1 1761498318 DGQYPCNGDVGXEO-YYWHXJBOSA-N 489.621 2.220 30 10 JEEE CN(C)C(=O)[C@H]1CCCN1CCCn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@H](C#N)C1 1768426902 AZGFNSKVGKQGCU-WOJBJXKFSA-N 471.993 2.270 30 10 JEEE CN(CCc1cnccn1)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCCS1(=O)=O 1768858717 HLHSZIXGRFPRTQ-OAQYLSRUSA-N 481.582 2.165 30 10 JEEE Cc1cc(=NC(=O)NS(=O)(=O)c2ccc(CCNC(=O)c3cccc(C#N)c3)cc2)cc[nH]1 1859002708 LPCXVPGORYLPBK-UHFFFAOYSA-N 463.519 2.167 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCNC(C)=O)[C@H]2c2cc(OC)c(O)c(OC)c2)cc1F 1862645862 RYFRIVDPUGJOPZ-FQEVSTJZSA-N 488.468 2.272 30 10 JEEE COc1cc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2CCNC(C)=O)ccc1O 1862754504 MNVSABMZOOYPPR-IBGZPJMESA-N 455.423 2.023 30 10 JEEE C=CCNS(=O)(=O)c1ccc2nc(NC(=O)C(C)(C)N3C(=O)c4cccnc4C3=O)sc2c1 1866241277 WPPFVBUYTMHYPR-UHFFFAOYSA-N 485.547 2.169 30 10 JEEE CN1C(=O)c2ccc(-n3nnc(C#N)c3NC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2C1=O 1870154881 LVEMJDHAJVSEPJ-UHFFFAOYSA-N 451.786 2.179 30 10 JEEE CCc1ccc(-n2nnc(C#N)c2NC(=O)CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 1870155573 UGOVBCUAWVVNIE-UHFFFAOYSA-N 459.422 2.234 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCCOc2ccc(OC)cc2)cn1CCOCCO 1870459911 RMFWBSZNFCYHIZ-UHFFFAOYSA-N 458.555 2.498 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)N2CCOCC2)cn1CCOc1ccc(OC)cc1 1870582625 LEDCYCFVWVMPRB-UHFFFAOYSA-N 497.592 2.348 30 10 JEEE C=CCN(CC=C)c1nc(=NCCOC)nc(Nc2ccc(C(=O)NCCN(CC)CC)cc2)[nH]1 1871704642 AWICUDHNRIPMCP-UHFFFAOYSA-N 482.633 2.345 30 10 JEEE C=CCn1c(C(=O)NCCCN2CCOCC2)cc2c(N3CCN(c4ccccc4)CC3)ncnc21 1873594575 XMSQCGXVUULBGW-UHFFFAOYSA-N 489.624 2.396 30 10 JEEE CC(=O)NCc1nnc(SCC(=O)NC2CCCCC2)n1/N=C/c1ccc(N(C)C)cc1 1874433951 GEUFXAZMQFCIDX-ZMOGYAJESA-N 457.604 2.403 30 10 JEEE Cc1cccc(-n2ncc3c(=O)n4c(nc32)S[C@H](CC(=O)NCC#CCN2CCCCC2)C4)c1 1891195369 KLBBLFCBLJVAHT-HXUWFJFHSA-N 476.606 2.361 30 10 JEEE CC1(C)OB(c2scnc2CS(=O)(=O)NCCCOCc2ccccc2)OC1(C)C 2247954445 YWBSSPCVJKNKNF-UHFFFAOYSA-N 452.407 2.469 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2C[C@H](OC)C[C@H]2CNC(=O)OC(C)(C)C)C1 2255160894 UHVWPXAGUDXYPE-GBXAEXGJSA-N 451.564 2.434 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](O)CN(C(=O)c2csc(B3OC(C)(C)C(C)(C)O3)c2)C1 2255705958 BWBSBEBIEKTARX-CABCVRRESA-N 452.382 2.147 30 10 JEEE CC(C)(C)OC(=O)N1CC([C@H](F)CNC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2255813235 QYVCZZDEHXRHQZ-CYBMUJFWSA-N 455.361 2.377 30 10 JEEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)N(C)Cc1ccc(B2OC(C)(C)C(C)(C)O2)s1 2256625443 WVZARKOCHVBSBG-CZUORRHYSA-N 454.398 2.280 30 10 JEEE C=CCN(CC(=C)Br)S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC 2258169130 MJHTXPJSQWPOEL-INIZCTEOSA-N 475.361 2.181 30 10 JEEE CC(C)(C)OC(=O)NCCO[C@@H]1CCN(C(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267003474 POJHEJJGVPAOFN-MRXNPFEDSA-N 450.341 2.335 30 10 JEEE CC(C)[C@](C)(CNC(=O)OC(C)(C)C)NC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2267190864 UTGKDQQIYPLOES-QFIPXVFZSA-N 450.389 2.389 30 10 JEEE Cc1c(C(=O)N[C@H](C)C(C)(C)NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267517412 SPQIPJVMRPQPBV-CQSZACIVSA-N 450.389 2.449 30 10 JEEE Cc1cc(C(=O)NC2(CCO)CN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2267531898 XBZFNLWZIPJYSJ-UHFFFAOYSA-N 466.409 2.457 30 10 JEEE CC(C)(C)OC(=O)NC[C@H](CO)NC(=O)c1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1Cl 2267809110 HNPWPENESNTYIV-GFCCVEGCSA-N 472.750 2.394 30 10 JEEE Cc1cc(CNC(=O)[C@H]2C[C@H](O)CN2C(=O)OC(C)(C)C)sc1B1OC(C)(C)C(C)(C)O1 2268630081 FYVWXLAULHAHMD-GOEBONIOSA-N 466.409 2.342 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2CCC[C@@]2(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2268637759 FOJLPAYZUAQNQR-LRTDBIEQSA-N 464.397 2.235 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](O)CN(C(=O)c2ccc(F)c(B3OC(C)(C)C(C)(C)O3)c2)C1 2281778008 NPBPMYXDMOZGJF-HZPDHXFCSA-N 464.343 2.225 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)C[C@@]12CCOC2 2281822294 JNRUUDBRVBCSPF-WAIKUNEKSA-N 462.352 2.477 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 2282003396 BHNHMIGSVMFGDV-HZPDHXFCSA-N 462.400 2.451 30 10 JEEE C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCCN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282179448 MUBDDSMPPPAHQM-HUUCEWRRSA-N 463.388 2.022 30 10 JEEE CN(Cc1nc(NS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)n[nH]1)C(=O)OC(C)(C)C 2282333726 RXPUKYQRNCGOFQ-UHFFFAOYSA-N 499.424 2.333 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NC[C@@H]2CCCCN2Cc2ccccc2)n1 2282408512 ISUKRRREYCEAOI-IBGZPJMESA-N 474.436 2.052 30 10 JEEE Cn1ncc(C(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccco2)c1B1OC(C)(C)C(C)(C)O1 2282572543 MVMYJONJHZIXAZ-HNNXBMFYSA-N 460.340 2.308 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@@H](CO)[C@@H](NC(=O)OC(C)(C)C)C1 2282595714 XXNNXLIUIWGEDF-GJZGRUSLSA-N 481.424 2.098 30 10 JEEE Cn1nc(C(=O)N[C@H]2CCCC23CN(C(=O)OC(C)(C)C)C3)cc1B1OC(C)(C)C(C)(C)O1 2282612505 UEQHFKAINHTPGK-INIZCTEOSA-N 460.384 2.239 30 10 JEEE C[C@H](CNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)o1)N1CCN(C(=O)OC(C)(C)C)CC1 2282623321 OINBSAPDCMVRTE-MRXNPFEDSA-N 463.384 2.250 30 10 JEEE CC(C)(C)OC(=O)N1CC2(CC2)C[C@H]1CNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2282707991 GQZSOGFSGXEEHP-HNNXBMFYSA-N 458.368 2.295 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCOC[C@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1O 2282989379 FCRWFWWYRKNMHF-IAGOWNOFSA-N 462.352 2.103 30 10 JEEE C[C@@H](c1cc(B2OC(C)(C)C(C)(C)O2)cs1)N(C)C(=O)[C@@H](CC(N)=O)NC(=O)OC(C)(C)C 2283934550 ZMYQLLWGPMYEDK-DZGCQCFKSA-N 481.424 2.335 30 10 JEEE CC(C)(C)OC(=O)N1CC2(CC[C@@H](C(=O)Nc3ccnc(B4OC(C)(C)C(C)(C)O4)c3)O2)C1 2284052828 HQEZZVOQRLMMKT-INIZCTEOSA-N 459.352 2.488 30 10 JEEE Cn1nc(C(=O)N2CCC[C@H](NC(=O)C(F)(F)F)CC2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2286119409 DMBFMFQNPBEMLO-NSHDSACASA-N 478.708 2.046 30 10 JEEE COc1ccc(C=Nn2c(SCC(N)=O)nnc2[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1OC 2325917332 GMGJTVIVOJRSQE-SFHVURJKSA-N 494.577 2.271 30 10 JEEE COc1ccc(Cc2nnc(SCC(N)=O)n2N=Cc2ccc([N+](=O)[O-])cc2)cc1OC 2326736204 JYOKIJMIMJBKEB-UHFFFAOYSA-N 456.484 2.254 30 10 JEEE CCc1nn(C)c(C(=O)N[C@H]2[C@@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)c1B1OC(C)(C)C(C)(C)O1 2359277399 NSQPIINQKZCRHG-UNEWFSDZSA-N 460.384 2.019 30 10 JEEE Cn1cc(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 2359277555 BYDLTAKVKKLCAK-DLTWYDFYSA-N 460.384 2.141 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2C[C@H]1C[C@@H]2NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2359280777 RLOYDVZDZQAZNT-OTRWWLKZSA-N 458.368 2.197 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(CCNC(=O)OC(C)(C)C)CC(F)F)n1C 2362341346 SDAUNSRACUIGMJ-UHFFFAOYSA-N 472.342 2.260 30 10 JEEE CC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nc(C)n1C 2362493786 SLWUJMZIPWCUKT-INIZCTEOSA-N 462.400 2.499 30 10 JEEE C=CCn1c(=O)c2ccc(C(=O)NC(C)C)cc2n2c(=O)n(CC(=O)Nc3ccccc3Cl)nc12 64581517 XEIUCCQMJHRMMA-UHFFFAOYSA-N 494.939 2.427 30 10 JEEE NS(=O)(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@H]2c2ccncc2)cc1 170359101 DVOKAZVKDUYTLS-HXUWFJFHSA-N 479.470 2.241 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)Nc3cccc(S(=O)(=O)N4CCCN(C)CC4)c3)cc2C1=O 590544795 XQONQZLYYBIACN-UHFFFAOYSA-N 482.562 2.047 30 10 JEEE O=C1c2ccccc2C(=O)N1CCN1C(=O)C(=NNS(=O)(=O)c2ccccc2)c2ccccc21 1084228193 BAZYYBNUPRSJJD-UHFFFAOYSA-N 474.498 2.012 30 10 JEEE COc1ccccc1NC(=O)CSc1nnc(NN=Cc2cc(OC)c(OC)c(OC)c2)n1N 1084353148 DEWAVIIDDLFQPT-UHFFFAOYSA-N 487.542 2.203 30 10 JEEE Cn1cc([C@@H]2CN(C(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC23CCOCC3)cn1 1233850789 DIFIXCMBRPBKRX-NEWSRXKRSA-N 458.563 2.085 30 10 JEEE COC(=O)N1CCC(CNC(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)CC1 1248524747 GOJKPMFNAUBYBU-UHFFFAOYSA-N 451.531 2.258 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(CC)CC)n2C[C@@H]2CCOC2)c1 1286310133 XAZBTBWNZKNCST-SFHVURJKSA-N 452.559 2.289 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CCn1cc(C)cn1)[C@@H]1CCS(=O)(=O)C1 1286388499 QGXJHBDYGTYRJZ-OAQYLSRUSA-N 452.584 2.339 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@@H](CC)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1286393269 QKHMINYMGGXGJG-UXHICEINSA-N 461.657 2.432 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1c(F)cccc1F)N(C)C 1286448407 ULYVAEPHRRHVOD-YJBOKZPZSA-N 451.543 2.221 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2CCCN2C[C@H](C)O[C@@H](C)C2)CC1 1286478973 MUMROMLGCIBKSV-SFTDATJTSA-N 454.594 2.263 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CCOc2ccc3c(c2)OCO3)CC1 1286491323 NDPSQTSATRJSPN-UHFFFAOYSA-N 453.543 2.250 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)CCCNC(=O)C1CCC1 1286546934 CDOJHCZBDLPFLF-PMACEKPBSA-N 458.607 2.238 30 10 JEEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2cccc(OC)c2)C1 1286620567 OPVTVZQSDGESNY-PBHICJAKSA-N 455.968 2.227 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1286784064 VQYWZQSHVUNVFN-UHFFFAOYSA-N 487.052 2.291 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1286784090 WFCLIJNKOALGFM-GOSISDBHSA-N 468.583 2.199 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCN(C)C(=O)[C@H]1C 1286792275 SUXCBDIUSYOPPO-CYBMUJFWSA-N 467.357 2.133 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2cnn(C)c2C)C1 1286808923 FLSSGOXPJFCVFX-VQTJNVASSA-N 487.605 2.458 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC(CNC(C)=O)CC1 1286818719 NBLAQBHOIQKLEG-UHFFFAOYSA-N 497.625 2.084 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)c2ccc(C)cc2)CC1 1286824646 GGGBMMBVVVMVAT-HXUWFJFHSA-N 473.599 2.001 30 10 JEEE Cc1nn(C)c(N2CCN(c3nnc(C)n3CCCN(C)c3ccccc3F)CC2)c1C#N 1290576140 AUOUYFXVKLNVRC-UHFFFAOYSA-N 451.554 2.492 30 10 JEEE CCN(CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCO[C@@H](C#N)C1)C(C)C 1295844946 GXPSGLVVKUBOBH-SFHVURJKSA-N 464.574 2.134 30 10 JEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2Cl)CC1 1300383925 JUFGRKSQKXZEBN-MRXNPFEDSA-N 450.996 2.282 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCSC1(C)C)[C@H]1CCS(=O)(=O)C1 1300479949 VZQFCKZMRNGYNB-IRXDYDNUSA-N 488.639 2.084 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CC1([S@](C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1300488032 AFQSHRQOKYXPLF-QTEAWJPNSA-N 460.625 2.045 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCC(F)(F)C1)[C@H]1CCS(=O)(=O)C1 1300504956 WQJKFHIZFQGCLG-MSOLQXFVSA-N 466.558 2.202 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1300529498 LDBHPZRFCCWVTA-XMMPIXPASA-N 484.608 2.146 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCCOC(C)C)CC1 1300682225 IGNDIOBOALBDSV-UHFFFAOYSA-N 458.994 2.432 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2CC[S@@](=O)C(C)(C)C)CC1 1300710161 UYHWGRBQWKTZHF-JGCGQSQUSA-N 459.616 2.168 30 10 JEEE C=C(Br)Cn1c(N2CCO[C@@H](c3noc(C)n3)C2)nnc1[C@]1(OC(C)C)CCOC1 1300862633 BLHDPXVFKXZLGL-BEFAXECRSA-N 483.367 2.497 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccn2C)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1300880618 JGTNCFKEMQWCFI-NFBKMPQASA-N 469.634 2.255 30 10 JEEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 1301016890 CLSAXMKUSZBWHI-CQSZACIVSA-N 477.031 2.382 30 10 JEEE C=C(Cl)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 1301025118 VAPWPRINZUXPHO-UHFFFAOYSA-N 498.993 2.483 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCCO[C@H]2C(C)C)CC1 1301124145 GJKRLXDXPFEJSF-HKBOAZHASA-N 481.663 2.465 30 10 JEEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)c2ccccc2)CC1 1301251767 HXFQJBUDYFYULG-FQEVSTJZSA-N 452.559 2.221 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1301515366 TVLJDNARZXZONQ-NRFANRHFSA-N 495.367 2.497 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCCN(C(C)=O)CC1 1301577869 UBMFDJLJQVVZNP-UHFFFAOYSA-N 491.614 2.012 30 10 JEEE C=CCSCCn1c(-c2cccnc2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1301605891 CLJHSMRUOQPNII-GHTZIAJQSA-N 455.632 2.248 30 10 JEEE CC1CCN(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2cccc(C#N)c2)CC1 1305106485 DUNJQJUPMCJLHF-NRFANRHFSA-N 456.616 2.420 30 10 JEEE CCSc1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCO[C@H](C(=O)NC)C2)ccn1 1314588278 GWULTIJKDFJANG-FQEVSTJZSA-N 493.593 2.235 30 10 JEEE COC(=O)N1CCC(Cn2c(C(C)C)nnc2N2CCN(c3c(C#N)c(C)nn3C)CC2)CC1 1315114433 GCKZYYXKSGDZNB-UHFFFAOYSA-N 469.594 2.120 30 10 JEEE C#CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCN(CC(=O)NCC)CC1 1358924283 REARREGDYKQHCS-UHFFFAOYSA-N 489.418 2.388 30 10 JEEE C#CCCCn1c(COc2ccccc2OC)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1358935005 SQDIQENUPDIYIJ-DEOSSOPVSA-N 466.542 2.094 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccnc(OC(F)F)c1 1358983945 CAICZXONCAHXAL-UHFFFAOYSA-N 451.437 2.433 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@]1(OC)CCOC1 1359007829 XHZUWBJOPKXPFA-DEOSSOPVSA-N 450.543 2.330 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C1CC1)N(C)C 1359017266 YUNCJBZYGGSAKE-FPOVZHCZSA-N 459.591 2.299 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2cc3c(cc2OC)C[C@H](C)O3)CC1 1359030024 MKLVFMCMGAEISM-RBUKOAKNSA-N 469.586 2.138 30 10 JEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC=C(c2ccc(O)cc2)CC1 1359049919 YVDCIHQVJFAYOR-INIZCTEOSA-N 461.613 2.254 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1359096413 BIRXHCYDVKDMMK-FXAWDEMLSA-N 475.619 2.015 30 10 JEEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(Cc2ccsc2)CC1 1359202757 BDDVQIDLTQZFIJ-HXUWFJFHSA-N 494.687 2.351 30 10 JEEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(CC2CCCCC2)CC1 1359304519 ZSPFMLSYTYTFMS-UHFFFAOYSA-N 485.658 2.274 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC(=O)NCC(F)F)C1 1359314519 CEZCSTBMKGWIHA-LBPRGKRZSA-N 459.295 2.198 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N(C)Cc1ccc(OC)c(F)c1 1359330936 HHYQEOQCUGSHKL-UHFFFAOYSA-N 491.545 2.391 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CCN(c2ncccc2C#N)CC1 1359334685 NWUJCCYJBMLQGT-UHFFFAOYSA-N 491.621 2.257 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@H]1CCN(S(C)(=O)=O)C1 1359466733 GSZVSHHHEHZJDR-ZACQAIPSSA-N 464.567 2.435 30 10 JEEE C=CCN1CC[C@@H](N(C)C(=O)c2cn(CCC#N)nc2-c2ccc(OC)c([N+](=O)[O-])c2)C1=O 1448516139 JDVVGTFTYLYFPK-QGZVFWFLSA-N 452.471 2.239 30 10 JEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1 1449146688 HTQRSDZHLJWSHC-OAHLLOKOSA-N 456.499 2.306 30 10 JEEE C=CCN1CCC(NC(=O)NC[C@@H]2CC3(CCN(C(=O)OC(C)(C)C)CC3)C(=O)O2)CC1 1468647406 PXJUTXZPPGOGPM-SFHVURJKSA-N 450.580 2.269 30 10 JEEE Cc1cc(CN2CCN(c3nnc(-c4cccc(C#N)c4)n3CCCC(=O)N(C)C)CC2)on1 1493156195 FSXCHVJTXQLHJB-UHFFFAOYSA-N 462.558 2.304 30 10 JEEE C[C@H]1CCCN1CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](CC(N)=O)C1 1493853161 FWVRJDKVIQCJIK-AZUAARDMSA-N 451.575 2.305 30 10 JEEE CCCN(C)C[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1500711630 HUCVPENBCNWUIX-UXHICEINSA-N 456.616 2.420 30 10 JEEE CCOC[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)C1 1503143685 AODAREORPMPFMM-FQEVSTJZSA-N 488.614 2.017 30 10 JEEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1507544622 ZBGKEEYFHNPEJC-IBGZPJMESA-N 492.653 2.313 30 10 JEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 1507557340 PWJBXBBGBJCGFL-MSOLQXFVSA-N 466.652 2.071 30 10 JEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(Oc2ccc(OC)cc2)CC1 1507572985 BPEYSYNCPBILDM-KRWDZBQOSA-N 461.588 2.358 30 10 JEEE C#CCN(C)c1nnc(-c2ccc(OCCC)c(OC)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1507610931 ICUVHDRTECBDAF-KRWDZBQOSA-N 461.588 2.093 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H](CC)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1507629524 NDYVDRNOPAFTBM-ROUUACIJSA-N 488.614 2.270 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1cc(C(CC)CC)no1)[C@H]1CCS(=O)(=O)C1 1507632616 OJGOFYXWVCECOZ-MSOLQXFVSA-N 461.588 2.349 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(OC)c2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1507644658 LHCWVQOPDUCXOZ-IFMALSPDSA-N 467.595 2.231 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(OC)c2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1507645424 ZTSABYBJKIOXSJ-UHFFFAOYSA-N 460.538 2.281 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H](C)N2CCC[C@H](C)C2)CC1 1507736736 SMRMIMHYEITVAA-WOVHNISZSA-N 486.661 2.016 30 10 JEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCCN(Cc2ccc(OC)cc2)C(=O)C1 1507744436 RUSUXJJQYHKGEM-UHFFFAOYSA-N 484.626 2.030 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1507915329 BLURKWQRYOXECQ-QZTJIDSGSA-N 489.646 2.180 30 10 JEEE C=CCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1507941425 GWDPMEFQAKVNML-OAQYLSRUSA-N 470.599 2.414 30 10 JEEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(Cc2ccccc2)CC1 1509951517 HDLSPSSZCAHHAG-QUCCMNQESA-N 472.615 2.372 30 10 JEEE COc1ccc(OCc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H]2CCCN2CCCO)cc1 1518329685 HATBTOZOGMSRTK-JPYJTQIMSA-N 458.538 2.154 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1cccc(C(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 1539222290 VCROMMCFXOXGGA-FUHWJXTLSA-N 468.501 2.476 30 10 JEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1CCOC[C@H]1C 1539237984 PBVWLRUIEWBXAB-IEBWSBKVSA-N 454.600 2.292 30 10 JEEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1CCc1ccc2c(c1)OCCO2 1539299351 IGQGBXQJNMTZNF-VWLOTQADSA-N 450.539 2.407 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H]1CCC(=O)N1 1539384214 AECOSRCSOTZNLM-HYBUGGRVSA-N 455.534 2.376 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCCCO2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1539413949 PJICRZFOJMMXNL-MSOLQXFVSA-N 459.513 2.259 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(C(=O)N3CCCC3)n2Cc2ccc(F)c(C)c2)n1 1539422604 FWNSPXKVTMNISQ-UHFFFAOYSA-N 479.560 2.493 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCCN2C[C@@H](C)C[C@@H](C)C2)CC1 1539431522 UXULWCYDKWMCNF-OTNCWRBYSA-N 458.651 2.053 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2occc2C)CC1 1539452400 RWJTXDYBLOLLEL-LJQANCHMSA-N 470.574 2.291 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCOc2ccc(Cl)cn2)CC1 1539488942 FEUZIDXNNAKJQX-GOSISDBHSA-N 458.950 2.223 30 10 JEEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCCO[C@H](C)C1 1539499167 GMRHDTXMSIIUFZ-QGZVFWFLSA-N 463.629 2.177 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C[C@H]2CCOC2)C1 1539751042 GKOKVPAVXDOOBW-VAMGGRTRSA-N 452.621 2.416 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)c1nc(C)cs1 1540170819 REDQFRSUFAKOFY-DOTOQJQBSA-N 466.633 2.358 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 1540865445 HCDRLXWMOUSSIB-FQEVSTJZSA-N 450.543 2.004 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCCN(C(C)C)CC1 1540899948 FXPNEXPWCBRBBP-UHFFFAOYSA-N 475.615 2.238 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1540902817 RGNLPRHYZGJBAU-QZTJIDSGSA-N 483.635 2.219 30 10 JEEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2c(F)cc(F)cc2C1 1540916647 DJNGLSHLYGJYNV-LJQANCHMSA-N 499.609 2.371 30 10 JEEE CC(C)(C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1541136855 BWRCIRNDFSSDOH-NRFANRHFSA-N 465.602 2.280 30 10 JEEE CCOC[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(C(N)=O)CCOCC2)C1 1548210048 GDSLUQVEMMJJNU-FQEVSTJZSA-N 482.585 2.264 30 10 JEEE Cn1ccnc1C(=O)N1C[C@@H](C(N)=O)C2(CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)C1 1548375500 OHZJVFKNRKLQPC-KRWDZBQOSA-N 460.460 2.155 30 10 JEEE CN(CC(=O)N1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1CC1(N(C)C)CCCCC1 1554124445 CGVHXZADORCKRV-UHFFFAOYSA-N 465.602 2.376 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc(F)c(N3C(=O)CCC3=O)c2)s1 1556533543 JHUGUKSIQQXIFZ-UHFFFAOYSA-N 451.501 2.186 30 10 JEEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCc4c(cccc4S(=O)(=O)NC)C3)n[nH]2)c1C 1556575165 JKRLFVFPBMLBQF-UHFFFAOYSA-N 454.556 2.183 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](c2ccccc2C)C1 1587860809 BTOPNPBLOVDQHM-FPOVZHCZSA-N 457.600 2.327 30 10 JEEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1CCc1ccn(C)n1)[C@H]1CCS(=O)(=O)C1 1588035502 UKXJSPXFJBSTBT-FCHUYYIVSA-N 466.611 2.423 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1Cc1nccn1C(F)F)[C@H]1CCS(=O)(=O)C1 1588059735 TZKDUDGHHNZGFD-SFHVURJKSA-N 474.537 2.444 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(c2ccccc2C)CCOCC1 1588140455 XWPQUWOWPIBQTD-OAQYLSRUSA-N 466.607 2.310 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C 1588229088 QYCFTBVSSWPQOV-MOPGFXCFSA-N 477.631 2.146 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1595477476 VMWNJCUORIEWAV-FPOVZHCZSA-N 485.608 2.076 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2nc(C(F)(F)F)cs2)C1 1595675028 WQMGBMHGXOBXCT-CHWSQXEVSA-N 494.565 2.388 30 10 JEEE C#CCCCCn1c(N2CCC(NC(=O)c3cc(C)on3)CC2)nnc1[C@@]1(OCC)CCOC1 1689906644 QDKRPTCXGVDMIJ-XMMPIXPASA-N 470.574 2.429 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H](C)COCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1689989150 BKAAFXDZVFJGEA-KSEOMHKRSA-N 472.611 2.262 30 10 JEEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1ccnc(OCc2ccccc2)c1 1690025535 VFQVDWYPUPJBCF-UHFFFAOYSA-N 454.534 2.496 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC[C@H]1CCOC1 1690034767 QVWZHNIQQHANFV-IBGZPJMESA-N 454.600 2.436 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(OCC(C)C)c2)CC1 1690109237 LHGCTUXPEZJXAR-UHFFFAOYSA-N 450.587 2.352 30 10 JEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC([C@@H](O)c2ccc(F)cc2)CC1 1690155461 KFNRNRHRZGTKOT-JXFKEZNVSA-N 495.646 2.344 30 10 JEEE C#CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1690185796 HCWVIOYZWWGNOY-KSZLIROESA-N 474.631 2.431 30 10 JEEE C=C(Br)Cn1c(N2CCN3C(=O)N(CC(C)C)C[C@H]3C2)nnc1[C@]1(OCC)CCOC1 1690234547 IAHXMQLDMJFYKB-UTKZUKDTSA-N 497.438 2.421 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC(CC(=O)NC)CC2)nnc1[C@]1(OCC)CCOC1 1690252947 KQWVHJAXTXYHRU-IZIIKQMZSA-N 461.607 2.264 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(OC)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1690253555 ROLWUQDLUXXVEN-NLFFAJNJSA-N 498.628 2.057 30 10 JEEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1690319829 ZWTWBDIDGQNJBH-NRFANRHFSA-N 470.622 2.315 30 10 JEEE C=C(Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1)c1ccccc1 1690324023 GGGLWWAJUBTROV-UHFFFAOYSA-N 480.613 2.088 30 10 JEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1cnn(C)c1 1690465211 VMDCVLFBADQTIO-MOPGFXCFSA-N 463.608 2.042 30 10 JEEE C=CCn1c(N2CCN(C(=O)COc3ccc(F)cc3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1690653178 GQUWNEFSRYKTJZ-XMMPIXPASA-N 473.549 2.371 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C)Oc2ccccc2OC)C1 1690699893 KOXFFEXZPWFZCM-IPMKNSEASA-N 476.599 2.438 30 10 JEEE C=CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1690744235 KKDVCNAQDUGOLZ-SFHVURJKSA-N 457.604 2.259 30 10 JEEE CC(C)C(=O)NCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1691521443 AGHHBZXHZPDALH-SFHVURJKSA-N 491.575 2.157 30 10 JEEE CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCc1ccn(-c2ccc(F)cc2)n1 1692521983 GPYAOWIKMASZGK-QFIPXVFZSA-N 454.485 2.426 30 10 JEEE CN(Cc1cccc(C#N)c1)c1nnc(-c2cccn2C)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1696687996 FYUKJDZZJXEEHV-LJQANCHMSA-N 453.572 2.073 30 10 JEEE CN1CCC[C@H]1C(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[S@@](=O)C(C)(C)C)CC1 1696880655 ANURXQLPKFVGPM-AAKBJARWSA-N 497.669 2.107 30 10 JEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1CCOCC(F)F)[C@@H]1CCS(=O)(=O)C1 1705569274 AJRGZHSETJIZON-QGZVFWFLSA-N 472.945 2.431 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H]2CCOC[C@@H]2C)CC1 1705635176 SNMZVBVMSOYIRJ-IRXDYDNUSA-N 461.408 2.474 30 10 JEEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCc2nc(C(F)(F)F)cs2)CC1 1705637693 INUHEUAQNPBVNC-UHFFFAOYSA-N 450.494 2.152 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@H](CNC(C)=O)C1 1705698659 WXSOHLACOBWDTP-WDYCEAGBSA-N 493.406 2.358 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCN(C(=O)C(C)C)CC2)nnc1[C@@]1(OCC)CCOC1 1705707530 MVUGLOPXTOGICL-JXALWOEJSA-N 461.607 2.216 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCCN(C(=O)C2CC2)CC1 1705722427 KQNYSUVNYGADQN-UHFFFAOYSA-N 472.615 2.220 30 10 JEEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1705814366 MWVXLLUCJJCNOB-AZUAARDMSA-N 472.615 2.219 30 10 JEEE C=CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1CC[C@H]1COCCO1 1705881640 WMWHZLHKYJNTDK-INIZCTEOSA-N 454.369 2.490 30 10 JEEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2ccc(Br)cc2)C1 1705887101 OGYQQQQVBDZGKE-XJKSGUPXSA-N 470.393 2.415 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1705932033 IPIFRTAVWPWHJY-QGZVFWFLSA-N 460.604 2.072 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CCC(C)(F)F 1706885736 DINNXPWZEHUXND-AWEZNQCLSA-N 485.536 2.271 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1CCn1cc(Br)cn1)[C@H]1CCS(=O)(=O)C1 1722369281 ZZNUBHZKMMJHJB-INIZCTEOSA-N 483.436 2.153 30 10 JEEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCN(C)[C@H]1c1cccs1 1722373511 OFQDYTBLDURTIJ-CMKODMSKSA-N 474.656 2.106 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1c(C)nn(-c2ccccc2)c1C 1722429499 RTQNYIFCCDPWLX-HXUWFJFHSA-N 482.610 2.117 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCS(=O)(=O)NC(C)C)CC1 1722431285 NQECDDHCCSGLQX-GOSISDBHSA-N 495.049 2.155 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)c2c(C)noc2C)CC1 1722440254 BIVWVFZOHDTTFI-INIZCTEOSA-N 490.568 2.300 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H](c2cccc(F)c2)N(C)C)CC1 1722441108 PCSOVQRVYAIYKP-OAQYLSRUSA-N 495.628 2.467 30 10 JEEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2F)n1CC1(O)CCS(=O)(=O)CC1 1722678543 SQPADHSDLSVAIJ-UHFFFAOYSA-N 472.970 2.316 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H]1c1ccc(O)cc1 1722724772 FUIXSLNTERXBBB-IBGZPJMESA-N 459.572 2.162 30 10 JEEE C[C@]1(C#N)CCCN(c2nnc(Cc3ccccn3)n2CCc2ccc(S(N)(=O)=O)cc2)C1 1724010241 IBMWKCNZSQTHLO-HSZRJFAPSA-N 465.583 2.284 30 10 JEEE CCN(c1nnc(-c2cccc(C#N)c2)n1CCCc1nc(C)no1)[C@@H]1CCS(=O)(=O)C1 1728297338 GFRGHOITTZMIKO-GOSISDBHSA-N 455.544 2.154 30 10 JEEE CN(Cc1cccc(C#N)c1)c1nnc(CN2CCCC2=O)n1CCNC(=O)c1cccs1 1729409358 GHPJRLZNPVIVLT-UHFFFAOYSA-N 463.567 2.400 30 10 JEEE CNC(=O)[C@@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C(C)C)N2CCOCC2)C1 1729647443 FOZGETJEPYGDJI-NVQXNPDNSA-N 495.628 2.048 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1C[C@]1(C)COCCO1)[C@@H]1CCS(=O)(=O)C1 1740620171 OKZUHJWODMLCPW-VGOFRKELSA-N 495.001 2.039 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H](c1ccccc1)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1740622861 JZXBRZDMIWYFQE-FYYLOGMGSA-N 493.637 2.445 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](c1cccs1)N(C)C 1740724542 FPTHUAGEBKMQRH-JXXFODFXSA-N 450.634 2.245 30 10 JEEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(c2cc(OC)cc(OC)c2)CC1 1740778707 BDDKNMBPWZTKFZ-QGZVFWFLSA-N 478.619 2.198 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 1740956357 PTNZWVJYCBNFEJ-SFHVURJKSA-N 467.530 2.340 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccc(C(F)(F)F)n2)C1 1740982484 UZSPQGSWEBLJMZ-HOCLYGCPSA-N 471.505 2.424 30 10 JEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1c1ccc2c(c1)OCCO2 1748732358 YTDDTUJSXZXOMA-FUHWJXTLSA-N 459.572 2.414 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1Cc1c(CC)nn(C)c1CC)[C@H]1CCS(=O)(=O)C1 1748808005 GAISNGUULJJZCV-IBGZPJMESA-N 496.637 2.487 30 10 JEEE C#CCN(c1nnc(COc2ccccc2OCC)n1C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 1748824360 OQFUYFRIWXIAOO-OALUTQOASA-N 474.583 2.062 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](OC)c1ccc(Cl)cc1 1748864436 XBHUHZKFLBMPGC-APWZRJJASA-N 463.991 2.392 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1CC1CCN(CCN(C)C)CC1 1749056175 UUFOZVSGZKAWJA-JWQCQUIFSA-N 458.651 2.196 30 10 JEEE C=C(Br)Cn1c(-c2ccccc2OC)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1749098501 BSJUHUANNSAWKA-CQSZACIVSA-N 487.362 2.394 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 1749226983 WLCDLLILMQXUNW-RCZSKKKRSA-N 470.622 2.075 30 10 JEEE C=CCC(C)(C)Cn1c(CC2CC2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1749373129 FEYZVZQDTZFPAR-UHFFFAOYSA-N 461.636 2.386 30 10 JEEE COC[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](N2CCOCC2)C(F)(F)F)C1 1749533271 FPDHAFSMTDNYGN-QUCCMNQESA-N 494.518 2.465 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCC(NC(C)=O)CC1 1749657819 GQHFRPOECJMGLX-UHFFFAOYSA-N 479.354 2.254 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H]2CCCCO2)nnc1N1CCN(S(C)(=O)=O)CC1 1749690848 VQYDUMKJJUPGNI-HXUWFJFHSA-N 461.588 2.214 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCN2CCCC[C@@H]2C)C1 1749713661 WHYONRQYCQELKG-XUVXKRRUSA-N 451.637 2.226 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1749729716 PJRYFQJRVOMMNG-GOSISDBHSA-N 470.599 2.357 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N(C)C1CCC(NC(C)=O)CC1 1749735806 AKZXJZXHNVWGOC-UHFFFAOYSA-N 477.606 2.492 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCc2ccc(OC)cc2)nnc1N1CCOC2(CCOCC2)C1 1749737949 AYJQEDUCZOHBTB-UHFFFAOYSA-N 490.626 2.059 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1cccc(C)c1)N1CCOCC1 1760117524 PYIZABQZFKTGEN-NNWRFLSQSA-N 471.627 2.020 30 10 JEEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(N(C)C(C)=O)CC1 1760152375 KJSLJPWCNAMPOG-UHFFFAOYSA-N 457.604 2.099 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H]1C[C@H](C)O[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1760189486 UUIVCIIFTQJYFF-USYVTKNRSA-N 450.605 2.002 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1oc2ccccc2c1C 1760232910 FQFSCMSGHKRHBB-HXUWFJFHSA-N 457.556 2.173 30 10 JEEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1CCOC[C@H]1C 1760249780 SXWNWDJEURVBAA-CTNGQTDRSA-N 453.591 2.211 30 10 JEEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1760277480 LXJUERGARMUUFB-INIZCTEOSA-N 491.547 2.360 30 10 JEEE C#CCSCCn1c(-c2ccccc2OC)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1760277881 HXYKJEIYPYFLLE-GOSISDBHSA-N 475.640 2.324 30 10 JEEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1760346366 VMQOFMGHYIUVSN-ZACQAIPSSA-N 471.624 2.420 30 10 JEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCC[C@@]3(CCOC3)O2)CC1 1760397692 ZRMIVTFGOQGQDI-MDKPJZGXSA-N 453.609 2.019 30 10 JEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC2(CCCCC2)O1 1760464196 BRJZLKGKKHKIIS-ZWKOTPCHSA-N 453.609 2.115 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cnn(C)c2)n1CC1(S(C)(=O)=O)CC1 1760477629 GIFGUPNHXQGTFC-UHFFFAOYSA-N 456.572 2.457 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(c2ncccc2F)CC1 1760514909 OFPRUCDDPWTTNK-UHFFFAOYSA-N 492.559 2.310 30 10 JEEE C[C@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CSCCS1 1763038643 DWWQVECACZKHOM-MAUKXSAKSA-N 458.613 2.244 30 10 JEEE COCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1771120376 CGMFGUNLWYGGHG-NRFANRHFSA-N 451.531 2.094 30 10 JEEE N#C[C@H]1CN(c2nnc(COc3ccc(Cl)cc3Cl)n2CC2(C(N)=O)CCOCC2)CCO1 1771538536 DQFNJTYIUHLKDA-HNNXBMFYSA-N 495.367 2.175 30 10 JEEE C=CCN(CC=C)c1nc(NC(=O)c2ccc(OC)c(OC)c2)n([C@H]2CCS(=O)(=O)C2)n1 1870002885 YJJSRYCMEYNIKM-INIZCTEOSA-N 461.544 2.086 30 10 JEEE COc1ccc(N2C[C@H](C(=O)Nc3c(C#N)nnn3-c3cc(OC)c(OC)c(OC)c3)CC2=O)cc1 1870159647 RCLRISQLDKZOGR-CQSZACIVSA-N 492.492 2.165 30 10 JEEE CCn1cc(OCC(=O)Nc2sc3c(c2C#N)CCC3)c(=O)cc1CN1CCN(C)CC1 1870324505 NFCDOOUOVDWAHK-UHFFFAOYSA-N 455.584 2.055 30 10 JEEE C=CCn1cc(OCC(=O)Nc2ccc(OC)cc2OC)c(=O)cc1CN1CCC2(CC1)OCCO2 1870391179 CXACJYLYYVPXTL-UHFFFAOYSA-N 499.564 2.408 30 10 JEEE C=CCn1c(C(=O)NCCc2ccc(OC)c(OC)c2)cc2c(N3CCN(C(C)=O)CC3)ncnc21 1873591055 BVHMZAYZWBOQHX-UHFFFAOYSA-N 492.580 2.276 30 10 JEEE N#Cc1ccnc(O[C@H]2CCN(C(=O)[C@H]3CCCCN3S(=O)(=O)c3cccc([N+](=O)[O-])c3)C2)c1 1891674426 MNLHRILEPMFOBB-AZUAARDMSA-N 485.522 2.085 30 10 JEEE CC(C)(C)OC(=O)NC1CC(NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2247882463 PACUMLSODQQFJG-UHFFFAOYSA-N 458.411 2.381 30 10 JEEE CCn1cc(C(=O)N2CCN(C(=O)OCc3ccccc3)CC2)nc1B1OC(C)(C)C(C)(C)O1 2255815337 MGQPPZSPRATKJG-UHFFFAOYSA-N 468.363 2.297 30 10 JEEE CC1(C)OB(c2cnsc2C(=O)NC[C@@H]2CN(C(=O)OCc3ccccc3)CCO2)OC1(C)C 2255842084 MQEXIUXBEQKBSZ-QGZVFWFLSA-N 487.387 2.210 30 10 JEEE COCC(CNC(=O)OC(C)(C)C)(COC)Oc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2265983454 RDIOYZBPQQSNNZ-UHFFFAOYSA-N 452.357 2.316 30 10 JEEE CN(Cc1ccccc1)[C@@]1(CNC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)CCOC1 2267162774 RQXQGUJXDHKOOS-HSZRJFAPSA-N 457.405 2.463 30 10 JEEE Cn1nc(C(=O)NC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2267183999 JZHCTPFGBHRPHT-ZDUSSCGKSA-N 468.791 2.360 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)CC[C@@H]1CO 2267526578 UTDSFMBYNWDJDE-GDBMZVCRSA-N 466.409 2.395 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](CNC(=O)c2csc(B3OC(C)(C)C(C)(C)O3)c2)C[C@H]1O 2267562068 XTLCWRMFAFJREK-NUEKZKHPSA-N 466.409 2.441 30 10 JEEE Cc1cc(S(=O)(=O)N(OCc2ccccc2)C2CNC2)ccc1B1OC(C)(C)C(C)(C)O1 2267705454 YEILPMGGPHIACA-UHFFFAOYSA-N 458.389 2.389 30 10 JEEE COC(=O)[C@@H](CC(=O)NCc1sccc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2268607574 FHAAEWITNLYXMY-CQSZACIVSA-N 468.381 2.120 30 10 JEEE C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@@H](C)c1nscc1B1OC(C)(C)C(C)(C)O1 2268639369 OCCTZVXGJPJKKN-HEHGZKQESA-N 469.413 2.236 30 10 JEEE CO[C@@H](C)[C@H](CC(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1)NC(=O)OC(C)(C)C 2268650695 QVVQUHWTQOASSF-ZFWWWQNUSA-N 469.413 2.377 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@](CO)(NC(=O)c2ccc(F)cc2B2OC(C)(C)C(C)(C)O2)C1 2281791101 NMQQZIVPICGZCH-HSZRJFAPSA-N 464.343 2.227 30 10 JEEE CCc1nn(C)c(C(=O)N[C@]23C[C@@H]2CN(C(=O)OC(C)(C)C)C3)c1B1OC(C)(C)C(C)(C)O1 2281990232 KGSTYRCZIJEBJU-FATZIPQQSA-N 460.384 2.021 30 10 JEEE CC(C)(C)OC(=O)N1CCC(F)(CNC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CC1 2282023354 MQLXDMXMNWUVKL-UHFFFAOYSA-N 464.347 2.245 30 10 JEEE Cn1nc(C(=O)N[C@@H]2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2282038546 JXQOSPUFEDWFEZ-HZSPNIEDSA-N 480.802 2.358 30 10 JEEE CC1(C)OB(c2c[nH]c(C(=O)NCCC3(O)CCN(Cc4ccccc4)CC3)c2)OC1(C)C 2282063980 SXTOXEJOLNGWLK-UHFFFAOYSA-N 453.392 2.461 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H](F)C[C@@H]2CNC(=O)OC(C)(C)C)n1 2282066333 IIIZKEJETFISMG-HUUCEWRRSA-N 466.363 2.280 30 10 JEEE CC[C@](C)(CNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)N(C)Cc1ccccc1 2282329216 JRQIFWKQUFIDPH-HSZRJFAPSA-N 476.452 2.298 30 10 JEEE C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1N(C)C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2282567967 VNNZCRMDRFWJOA-RDJZCZTQSA-N 462.400 2.437 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1CC2(C1)C[C@@H]2NC(=O)OC(C)(C)C 2282588071 CXCKOICSEOZIPL-LTIDEOFWSA-N 460.384 2.378 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@H]1CN(CCO)C(=O)c1ccoc1B1OC(C)(C)C(C)(C)O1 2282633769 CRXXNGASNRMESO-INIZCTEOSA-N 464.368 2.413 30 10 JEEE CC(C)(C)OC(=O)N1CCN([S@](C)(=O)=NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)CC1 2282641208 XQTVUHSWLLPMJD-MGBGTMOVSA-N 482.412 2.020 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N(Cc1ccccc1)[C@@H]1COC(C)(C)C1 2282849216 XUZNUOVNSXIIIU-SFHVURJKSA-N 475.420 2.478 30 10 JEEE C[C@H]1CN(Cc2ccccc2)CCCN1S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282854993 YEFZOTHPXVDVLN-SFHVURJKSA-N 474.436 2.004 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)c3nccnc3B3OC(C)(C)C(C)(C)O3)C[C@]2(C)C1 2283070078 UPLWIQXXUKZHHE-NPMXOYFQSA-N 458.368 2.105 30 10 JEEE CC(C)(C)OC(=O)N(CCO)CC(=O)N1CCc2cccc(B3OC(C)(C)C(C)(C)O3)c2C1 2283970089 SPZBXVSZKRUWEI-UHFFFAOYSA-N 460.380 2.100 30 10 JEEE C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2c(cccc2B2OC(C)(C)C(C)(C)O2)C1 2283974314 UNUSOFHFIYAOPP-BEFAXECRSA-N 460.380 2.145 30 10 JEEE CC(C)(C)OC(=O)NC1(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)CC(C(F)(F)F)C1 2283990048 XFSNXCSWSLGSFT-UHFFFAOYSA-N 492.329 2.434 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@H]2[C@H](C(=O)Nc3ncc(B4OC(C)(C)C(C)(C)O4)cc3F)[C@H]21 2284039078 WXJZZLYCXQPONV-BZUAXINKSA-N 463.315 2.093 30 10 JEEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@@H](COCc3ccccc3)C(=O)O)cc2F)OC1(C)C 2284411121 GKJXURZSMDWFIW-IBGZPJMESA-N 479.335 2.073 30 10 JEEE CN(C(=O)c1nscc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1F 2320550460 DGXWLDSZVUDGDN-UONOGXRCSA-N 455.361 2.472 30 10 JEEE COc1ccc(Cc2nnc(SCC(N)=O)n2N=Cc2cccc(OC)c2O)cc1OC 2326738681 PFXRBQWYTNBXMO-UHFFFAOYSA-N 457.512 2.060 30 10 JEEE CCCNC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1N=Cc1ccc(C(=O)O)cc1 2329013093 ZFVLQNRPMNFPID-KRWDZBQOSA-N 472.571 2.201 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)n1C 2362333500 UDTDLSHDKDLYEQ-ZBFHGGJFSA-N 462.400 2.403 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C(F)(F)C1 2362355627 AXAHMWSGPYHZGE-CYBMUJFWSA-N 470.326 2.094 30 10 JEEE CC#CCN(CC(=O)O)C(=O)c1cc(I)cc(I)c1O 2362981479 OBOFIACOUYQBCD-UHFFFAOYSA-N 499.042 2.152 30 10 JEEE COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)NC[C@@H](CNC(=O)OC(C)(C)C)OC 2365477644 OZYUCAFBJVUSAP-INIZCTEOSA-N 464.368 2.264 30 10 JEEE COC(=O)C1(NC(=O)c2csc(C)c2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2369516538 MVIIAVIGGWFOQC-UHFFFAOYSA-N 480.392 2.248 30 10 JEEE Cc1cc(C)nc(N/C(=N\C(=S)NC2CCCC2)NCCc2ccc(S(N)(=O)=O)cc2)n1 14157919 XENLITRHBQKQBJ-UHFFFAOYSA-N 475.644 2.158 30 10 JEEE COc1ccc(NC(=O)CSc2nnc(N/N=C/c3ccc(OC)c(OC)c3)n2N)cc1 20292724 CHMAXBZGZCYPDS-SSDVNMTOSA-N 457.516 2.195 30 10 JEEE Cc1nn(CCO)c(C)c1/C=N/Nc1nnc(SCC(=O)Nc2cccc3ccccc23)n1N 59914396 MVBDQRSOUBJEFO-WYMPLXKRSA-N 479.570 2.128 30 10 JEEE COc1cc([C@H]2c3c(nc(N4CCC(C)CC4)[nH]c3=O)NC(=O)[C@@H]2C#N)cc(OC)c1OC 72445357 FDNBIQVAHZKBMJ-RHSMWYFYSA-N 453.499 2.256 30 10 JEEE CCOC(=O)[C@@H]1CCCN(C2=NC(O)=C3C(=NC(=O)[C@H](C#N)[C@@H]3c3c[nH]c4ccccc34)N2)C1 72445761 PTOUMTNWGZCRJZ-DDUZABMNSA-N 460.494 2.334 30 10 JEEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(-c3ccc4c(c3)OCCO4)sc2C(=O)OCC)C1=O 508770371 OEKJTYGRGNYYKX-UHFFFAOYSA-N 499.501 2.278 30 10 JEEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(Br)cc2OC(F)(F)F)C1=O 1128698461 GVORPWMGQPTAOS-UHFFFAOYSA-N 450.167 2.263 30 10 JEEE COc1ccc(OC)c2c1CN(C(=O)N[C@@H]1CCCN(c3ccc(C#N)cc3)C1=O)C[C@@H]2O 1234023167 FMFQAOXVCWMTEL-MOPGFXCFSA-N 450.495 2.330 30 10 JEEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cc(OC)c(OCC)c(OC)c1 1286358972 PAHFIRVUUFBTAK-UHFFFAOYSA-N 450.499 2.459 30 10 JEEE C#CCN(c1nnc(CC)n1C[C@@H](c1ccccc1OC)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1286393917 MAWQQIFFRQGMCN-FPOVZHCZSA-N 471.627 2.313 30 10 JEEE C#CCN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC(=O)NCc1ccco1 1286451823 CDDOTWKDAGTVKM-CALCHBBNSA-N 456.547 2.418 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccnc(OC3CCCCC3)c2)CC1 1286470186 URUDFRGCEXVBCY-UHFFFAOYSA-N 465.602 2.326 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CCS(C)(=O)=O 1286614494 UNDVWNNZQDFXCH-KRWDZBQOSA-N 471.624 2.424 30 10 JEEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC=C(C(C)(C)C)CC1 1286711865 QBVBWWFSWFQSSB-LJQANCHMSA-N 467.636 2.386 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H](OC)C(C)(C)C1 1286780656 YBDSMEAHPSATPX-OAHLLOKOSA-N 451.369 2.210 30 10 JEEE CC(C)NC(=O)CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCO[C@@H](C#N)C1 1288199295 AQOGUORHARVDMV-ROUUACIJSA-N 475.594 2.036 30 10 JEEE Cc1noc(C2CCN(c3nnc(-c4cccc(C#N)c4)n3CCCS(C)(=O)=O)CC2)n1 1290948115 DRNNZNMWWIDHEV-UHFFFAOYSA-N 455.544 2.327 30 10 JEEE CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCc2nc(C)no2)CC1 1291832677 HTTUARBWZKXCHP-GOSISDBHSA-N 491.600 2.178 30 10 JEEE CCS(=O)(=O)NCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC(C#N)CC1 1297784344 AEBOITJPOLFUCK-GOSISDBHSA-N 495.650 2.072 30 10 JEEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1300381857 WOENKDRQPOPRCT-IBGZPJMESA-N 497.987 2.042 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@@H](C)c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1300485067 WJCCTPXIAJSGFO-ZHRMCQFGSA-N 490.601 2.500 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)Oc2cccc(OC)c2)CC1 1300683000 UUWMKUYXQDZMOB-IBGZPJMESA-N 475.553 2.157 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2CCNC(=O)C(C)(C)C)CC1 1300730920 GYTGLMZVHYLPQM-UHFFFAOYSA-N 484.576 2.124 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(Br)cc3)n2CC(C)(C)O)CC1 1300731633 QWGPXMJMPIZPTD-UHFFFAOYSA-N 490.402 2.356 30 10 JEEE C#CCSCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(CC#C)CC1 1300743018 DXMSWCRMRRRZAO-UHFFFAOYSA-N 455.584 2.093 30 10 JEEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1300983826 QKGWYKNOELQSAG-UHFFFAOYSA-N 454.623 2.323 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCN2C(=O)OC[C@]2(C)C1)C(C)C 1301368282 ZWWAPSLQUFKRSE-YKSBVNFPSA-N 468.606 2.408 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCS[C@@H](C)[C@H]1C 1301584729 CQNWGAQFBSSYMQ-CVEARBPZSA-N 488.639 2.123 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(c2cc(C)ccc2C)CC1 1301588644 IFBSXKXYBMQUFC-HXUWFJFHSA-N 459.616 2.326 30 10 JEEE CC(=O)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCN(C(C)C)CC2)CC1 1301695624 BOCNIZTZRPRVHE-UHFFFAOYSA-N 465.602 2.111 30 10 JEEE CC1(C)C[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1303952238 GUIMAEMPGDGXHF-QGZVFWFLSA-N 458.588 2.293 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC1(C)COC1)[C@H]1CCS(=O)(=O)C1 1358956588 IATBFSNDQMLDOB-AEFFLSMTSA-N 462.547 2.220 30 10 JEEE C#CCN(CC#CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@H]1CCOC[C@H]1OC 1358996547 IVVLINDEJLOZBK-AOYPEHQESA-N 490.652 2.157 30 10 JEEE C#CCSCCn1c(CCc2ccccc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1359059955 FYAVDGPBIWAYSR-QFIPXVFZSA-N 466.655 2.173 30 10 JEEE C#CCSCCn1c(N2CCC(N(C)C(=O)OCC)CC2)nnc1[C@@]1(OCC)CCOC1 1359061535 FRMKWXLUVULWFY-JOCHJYFZSA-N 465.620 2.354 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC(NC(=O)c2ccc(C)s2)CC1 1359299329 BWSKVEKDWGQTDG-KRWDZBQOSA-N 472.615 2.243 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCNC(=O)CC1 1359335060 YXIBHYHNFLGKGR-UHFFFAOYSA-N 475.615 2.216 30 10 JEEE CC(=O)N1CC[C@H](CN(C)c2nnc(COc3ccc(C#N)cc3)n2CC2([S@@](C)=O)CCC2)C1 1359362949 HXNJBHNUAPOALG-NMWVFERUSA-N 484.626 2.335 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2nc(C)n(C)c2C(=O)NCCCC)ccc1F 1435890831 RGPPEHXSCVOLKV-UHFFFAOYSA-N 451.524 2.114 30 10 JEEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N2C[C@H](O)[C@@H](CO)C2)ccc1Cl 1468867204 LNYYFAYNBPDBPM-APWZRJJASA-N 450.944 2.147 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)Cc2nc3cc(S(=O)(=O)N(C)C)ccc3n2CC)c1 1473112077 ZHNIPOPZFXHYEA-UHFFFAOYSA-N 453.568 2.358 30 10 JEEE Cc1ccc(NC(=O)Nc2cccc3c2CCN(S(=O)(=O)N2CCO[C@H](C#N)C2)C3)cc1 1474932075 BQNIBFWCLFBXCK-LJQANCHMSA-N 455.540 2.466 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCN(C)[C@@H]1c1cccs1 1507514963 FSNFXDFMTCGCBC-DWRORGKVSA-N 464.661 2.491 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCc1csc(C)n1)[C@H]1CCS(=O)(=O)C1 1507630370 XRVPMNLNECBSRG-FQEVSTJZSA-N 466.592 2.451 30 10 JEEE C#CCN(c1nnc(C2CCCC2)n1CCn1cc(Br)cn1)[C@@H]1CCS(=O)(=O)C1 1507632397 KSIWLCITNLHEKD-QGZVFWFLSA-N 481.420 2.222 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1Cc1cccc(N2CCCC2=O)c1)[C@H]1CCS(=O)(=O)C1 1507635280 VQGDHTBOXPICFY-NRFANRHFSA-N 469.611 2.278 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2CCCN2CCCO[C@@H](C)C2)CC1 1507720089 DQKLDWVUSYYMMY-NRFANRHFSA-N 452.603 2.210 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@H](C)N2CCc3ccccc3C2)CC1 1507720148 SBGCFJVIIWSPJP-FCHUYYIVSA-N 466.630 2.204 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CCN(C)c2ccccc2)CC1 1507740755 YNTIXQBBTWILKZ-UHFFFAOYSA-N 457.582 2.366 30 10 JEEE C#CCSCCn1c(Cc2ccsc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1507754276 AMPSKTVPPIXHQJ-UHFFFAOYSA-N 453.659 2.157 30 10 JEEE C=CCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1508062683 JXINMKALFFAGIS-QFIPXVFZSA-N 472.659 2.232 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2C[C@@H](COC)O[C@H](C)C2)cc1 1508101113 UDXMMNJFCWECPN-QFUCXCTJSA-N 476.599 2.033 30 10 JEEE CC(=O)N1CCC[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N(C)C[C@H]2CCN(C(C)=O)C2)C1 1508197353 GGNSFSHSURKATO-XZOQPEGZSA-N 493.612 2.292 30 10 JEEE C[C@@H]1OCC[C@@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1512577680 HKSDSFZRDBQBER-APJQNUAFSA-N 498.584 2.087 30 10 JEEE CCCS(=O)(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCn2cc(C)cn2)CC1 1515233799 GCFKDWUIGHSCGW-UHFFFAOYSA-N 482.614 2.320 30 10 JEEE C[S@@](=O)C1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)CCC1 1519625801 ADOKWBSZGOOOQB-YVGXBJCXSA-N 461.613 2.131 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2CC(=O)NC2CCCCC2)c1 1539042543 HSYJMSSICICCRE-LJQANCHMSA-N 464.570 2.287 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@]1(C)COCCO1 1539300509 BZISRQSACIMPRL-DEOSSOPVSA-N 454.527 2.239 30 10 JEEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCCN1CCOCC1 1539346995 NNBQHAGRQNDDLR-UHFFFAOYSA-N 473.647 2.119 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H](C)N1CCOCC1 1539385099 WUKRQCXESFWZEY-NBGIEHNGSA-N 471.577 2.430 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(Br)cc3)n2CCN2CCCC2)CC1 1539459807 OMNDLTZGLZVTQP-UHFFFAOYSA-N 473.419 2.471 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCN(CC)S(C)(=O)=O 1539540745 SOSBUFJIUMLJQH-JOCHJYFZSA-N 493.655 2.012 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)N3CCC([C@@H]4OCC[C@H]4NC(=O)C(F)(F)F)CC3)cc2C1=O 1540124108 JPVPPOPJJBLABH-MSOLQXFVSA-N 479.455 2.157 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@H]2C[C@H]1CO2 1540864867 NNXGSNXINSGWMM-ZFWWWQNUSA-N 462.348 2.386 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCO[C@@H]1C(C)(C)C 1541115947 HJKGWTSROZIYBA-YRXWBPOGSA-N 482.651 2.048 30 10 JEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC(C(=O)NCc3ccc(C)cc3)CC2)c1 1545134100 BWZFFGMVOFTMCM-UHFFFAOYSA-N 453.564 2.075 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCOC[C@H]2C[C@H](O)c2cccs2)ccc1F 1545707330 KJETUSNWGMLFEJ-WBVHZDCISA-N 454.545 2.316 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@H]2COc3ccccc32)CC1 1588890574 CBNXNNBZJCIIPU-QUCCMNQESA-N 467.570 2.144 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(Cl)cc2F)CC1 1588961689 IYIKMKNVBWDWLT-UHFFFAOYSA-N 472.952 2.207 30 10 JEEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(N2CCNC2=O)CC1 1588994751 ZZEIIIDJLITXKH-UHFFFAOYSA-N 478.420 2.396 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1594492334 YPZSNPVDTSGVMP-QGZVFWFLSA-N 452.625 2.082 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1595758884 COHOYJJETGSWSV-JCGIZDLHSA-N 468.963 2.234 30 10 JEEE COC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CCN2[C@@H](C)CC[C@@H]2C)CC1)OC 1619598082 FPHVNOOONLJKQQ-HFMPRLQTSA-N 481.645 2.473 30 10 JEEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCN(CC(=O)N4CCCCCC4)CC3)n[nH]2)c1C 1624534349 KMMFLMBHGHJQJK-UHFFFAOYSA-N 453.591 2.236 30 10 JEEE C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cnc2c(Br)csc2c1 1661546171 YSIYQVNNWOLOCN-SNVBAGLBSA-N 451.389 2.423 30 10 JEEE C=CCS(=O)(=O)CCNC(=O)N1CCC([C@H]2OCCC[C@H]2NC(=O)OC(C)(C)C)CC1 1670882453 ORSOIPHRHABFQR-QZTJIDSGSA-N 459.609 2.081 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1CCCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1689991749 BWYXHVBKCGVKQN-JOCHJYFZSA-N 455.628 2.290 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1Cc1nnc(CC)s1)[C@H]1CCS(=O)(=O)C1 1689993835 MJHUIHRMIPHCKV-HNNXBMFYSA-N 462.626 2.019 30 10 JEEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(C)CN(C2CC2)C1=O 1690077458 PBRGKYLRYNMSIR-HOYKHHGWSA-N 472.590 2.057 30 10 JEEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCN1c1cnn(C)c1 1690077589 RVYTZANMCYBWGO-TZIWHRDSSA-N 498.632 2.449 30 10 JEEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1690165874 MGIXSTIPBIKEFP-UHFFFAOYSA-N 464.595 2.258 30 10 JEEE C#CCSCCn1c(-c2cccn2C)nnc1N(C)C1CCN(CCn2cccn2)CC1 1690168165 YWEVXZWOHWFDOO-UHFFFAOYSA-N 452.632 2.447 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc2c(cc1OC(F)F)OCO2 1690527668 QYHYZMXNHXJKPZ-GFCCVEGCSA-N 456.471 2.181 30 10 JEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccnc(SCC)c1)C1CC1 1690545399 QELVBHCFVDEBPY-GOSISDBHSA-N 478.644 2.321 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(O)CC(OCC)C1 1690571564 AZWKGNJLNAQCGJ-HGCBZUSOSA-N 478.590 2.442 30 10 JEEE C=CCn1c(CCc2ccccc2)nnc1N1C[C@@H]2[C@@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1690646758 KADORTBVNDIEAL-AABGKKOBSA-N 487.626 2.376 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN([C@@H](C)c2nccs2)CC1 1690668801 JWKVMWOAZJHHSK-KRWDZBQOSA-N 452.588 2.290 30 10 JEEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1690670108 ZBRSKXZUOZDLPI-AWEZNQCLSA-N 491.474 2.444 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H]2CCC[C@@H]21 1690672399 QOFSQLKWZPDJFV-BZSNNMDCSA-N 460.579 2.268 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CC(=O)N(c3ccccc3)C2)C1 1690684354 DOOOMQPNMOJKRG-ICSRJNTNSA-N 452.559 2.251 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1690717675 NAZOBBXGYZLAOI-ZWKOTPCHSA-N 463.991 2.447 30 10 JEEE CC(C)CN1CCC[C@H](Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3ccc(C#N)cn3)CC2)C1 1692417083 GBSIZQRZDDWGBC-QFIPXVFZSA-N 493.660 2.378 30 10 JEEE CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCN(C(C)C)C2)CC1 1697010968 FADQBNCCSRVHRJ-FQEVSTJZSA-N 450.591 2.399 30 10 JEEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@](C)(O)c2cccs2)CCN1S(C)(=O)=O 1698453539 ADUJRJHHUSNWED-KSFYIVLOSA-N 486.623 2.256 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CC[C@H](OC)C(F)(F)F)c1 1705505137 JLGKSPRBTYRIDB-SJORKVTESA-N 478.475 2.253 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2CCNC(=O)c2ccco2)c1 1705506072 ZKEKWXKURANNGW-UHFFFAOYSA-N 457.494 2.352 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@](C)(O)CCC)[C@H]1CCS(=O)(=O)C1 1705559735 FGOKPECBKXRDCQ-GBXCKJPGSA-N 487.626 2.325 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1CCOC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1705562449 CKGBEQGDLLEXRG-HOJAQTOUSA-N 488.610 2.262 30 10 JEEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1705655364 LPJKHOAHEDQCKR-QUCCMNQESA-N 488.683 2.235 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](O)(c2ccc(F)cc2)C1 1705736782 CHRSJKLJJHGUAU-VGOFRKELSA-N 464.563 2.010 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(=O)c2ccccc2)CC1 1705737528 UDWMXEPPNJBJTA-OAQYLSRUSA-N 487.626 2.125 30 10 JEEE C=C(Cl)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1705758279 PBEGXNSYHLOFJC-LJQANCHMSA-N 475.041 2.462 30 10 JEEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1705822460 FUOFFDPTKFRDIA-LJQANCHMSA-N 485.658 2.369 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC(C)(COC)CC1 1705894792 LORWGVBTIQJKNU-UHFFFAOYSA-N 474.993 2.417 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1nc(O)c2sccc2n1 1705899135 IXUHNOGJRUROKB-UHFFFAOYSA-N 460.523 2.466 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1705908273 MJRLYSDARPSBGZ-UHFFFAOYSA-N 486.001 2.182 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2CC(=O)N(CCOC)C2)C1 1705917648 XDFCRZDAZKWKCD-WBVHZDCISA-N 493.406 2.312 30 10 JEEE CC(C)COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(C(N)=O)CCOCC2)CC1 1706521944 IBIVAVLAZUVISH-UHFFFAOYSA-N 495.584 2.013 30 10 JEEE CC(C)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCN(C)C(C)(C)C2)CC1 1706576029 FFIYBQSFFQOUOC-UHFFFAOYSA-N 480.661 2.285 30 10 JEEE CCO[C@@H]1C[C@@H](N(C)c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)C1(C)C 1710597644 DYIDOBIMOJKDLN-NHCUHLMSSA-N 482.585 2.227 30 10 JEEE CN(C)C(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)Cc1cccc(C#N)c1 1710981703 FELVQDUPTXURIQ-UHFFFAOYSA-N 473.585 2.438 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cccc(CN2CCOCC2)c1 1722282545 ZEDDKBDHNPDNDG-CJFMBICVSA-N 453.587 2.269 30 10 JEEE C#CCCCCn1c(N2CCN(C(=O)c3ccccn3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1722321823 BZKGAPRDNMXQCF-RUZDIDTESA-N 466.586 2.480 30 10 JEEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1722325042 DOBPYVMCHGSYAC-UHFFFAOYSA-N 488.434 2.204 30 10 JEEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cccc(CN2CCOCC2)c1 1722345426 ZEFATLCOOSEVEZ-VWLOTQADSA-N 453.587 2.269 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCCN1CCCCCC1=O)[C@@H]1CCS(=O)(=O)C1 1722358867 GMZWMVLOWBLANT-JOCHJYFZSA-N 494.621 2.236 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@H](C)c1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1722365514 MKZPDIMHVOTBOX-OXJNMPFZSA-N 468.583 2.299 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C 1722418900 HIHAYFYKBMLRMB-SFHVURJKSA-N 483.573 2.411 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CCOCC)[C@@H](CC)C1 1722508924 UVQJERMJDFSSJS-AQCRLBJHSA-N 460.623 2.148 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCN(Cc2cscn2)CC1 1722700066 VAUJBVWPYRHLHJ-UHFFFAOYSA-N 451.600 2.258 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](c2ccccc2OC)C1 1722725185 LMVGEUUXFKTYDH-SFHVURJKSA-N 473.599 2.117 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(C(C)=O)C[C@@H]1C 1722727223 JPCYXSLDPNKHSU-KRWDZBQOSA-N 470.599 2.095 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)C[C@@H]1c1cccc(OC)c1 1722728143 UMLAHKDOPCUMHM-LSTHTHJFSA-N 473.599 2.426 30 10 JEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC(Nc2cccc(C)c2)CC1 1722730196 LBZXEYQXDYXFMK-UHFFFAOYSA-N 486.642 2.391 30 10 JEEE CCN(CC)[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1728369958 BEYUAQNIGJEURX-DSKINZAPSA-N 467.574 2.394 30 10 JEEE CN(C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2cccnc2)CC1)S(C)(=O)=O 1729389092 BYHQPBFCVANZIL-UHFFFAOYSA-N 465.583 2.315 30 10 JEEE CN(CCc1cnccn1)c1nnc(COc2ccc(C#N)cc2)n1CC1(N(C)C)CCOCC1 1729504960 FVEBTQBLUQIDTR-UHFFFAOYSA-N 476.585 2.308 30 10 JEEE Cn1ncc(CCCn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCC(CC#N)CC2)n1 1729603377 HEWGFXXXNYVBRS-UHFFFAOYSA-N 468.587 2.240 30 10 JEEE C#CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](NC(C)=O)C1 1740575117 QFRQNMUPNKBQTR-WOJBJXKFSA-N 474.606 2.495 30 10 JEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CCC(=O)NCCC)[C@@H]1CCS(=O)(=O)C1 1740618024 AWLYRMVKNQTFCE-GOSISDBHSA-N 463.991 2.142 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCCCC1(F)F)[C@@H]1CCS(=O)(=O)C1 1740618714 KBHLXTUBPNPZPP-UEXGIBASSA-N 486.585 2.382 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1cccc(-n2cncn2)c1)[C@@H]1CCS(=O)(=O)C1 1740627814 SOFPURLHRDGLRS-HXUWFJFHSA-N 467.599 2.122 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCCCN2CCC[C@H](C)C2)CC1 1740692680 ODAKQTPXXCYLJM-DHLKQENFSA-N 458.651 2.198 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCCN(CCC)C(=O)C1 1740778973 YWAQZNKCAJMHOS-UHFFFAOYSA-N 460.604 2.220 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2csc(C)n2)CC1 1740838957 COTRQYPPYKTODV-SFHVURJKSA-N 466.633 2.021 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCCO1 1740937635 KZCUFGAPDWKMCD-PMACEKPBSA-N 479.603 2.008 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](C[C@H]2CCOC2)C1 1740991933 IREOQTFYTFPHQB-VAMGGRTRSA-N 452.621 2.416 30 10 JEEE CCNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1746480965 AIARIBBRUZEOSM-IBGZPJMESA-N 451.575 2.284 30 10 JEEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1748703609 UPSWGXCWEHNADV-LEWJYISDSA-N 484.626 2.246 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1CCS(=O)(=O)C1 1748926912 YCKHWGSZOSNVJF-ZWKOTPCHSA-N 465.620 2.287 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCNC(=O)OC(C)(C)C 1748941085 WVWUJPDLIJBGHK-MRXNPFEDSA-N 494.593 2.192 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@]1(O)CCC[C@@H]1C 1748960254 FOLBWOIPQQHCLV-AVRWGWEMSA-N 464.570 2.312 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(-n2cccn2)cc1 1749159234 QTKURPHQMKHVLQ-OAQYLSRUSA-N 485.614 2.247 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1c1cccc(F)c1 1749734971 PADKSUTUOAQPDH-IEBWSBKVSA-N 482.603 2.262 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(OCC)cc1)[C@H]1CCS(=O)(=O)C1 1760181054 OXPVMHQBRWZKDI-RDPSFJRHSA-N 488.610 2.004 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CCCN1CCC(O)CC1)[C@@H]1CCS(=O)(=O)C1 1760183026 LLMQRQNBHZBPMI-HXUWFJFHSA-N 492.045 2.072 30 10 JEEE C#CCN(c1nnc(C(C)C)n1Cc1ccccc1OCCN(C)C)[C@@H]1CCS(=O)(=O)C1 1760183509 QKUBBEADBXYYKH-HXUWFJFHSA-N 459.616 2.017 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1ccc(C(C)(C)O)cc1)[C@@H]1CCS(=O)(=O)C1 1760189919 ROUAIIOGXWEASI-LJQANCHMSA-N 453.568 2.176 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC(=O)NCC(F)(F)F 1760239035 UMCZMLXNHMEZAW-AWEZNQCLSA-N 458.485 2.488 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CC(C)(C)COC)CC1 1760267516 OXQWMLZNLIIJPY-UHFFFAOYSA-N 467.570 2.355 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCC2(O)CCC2)CC1 1760273486 WGWYJWNIRSVJAR-WOJBJXKFSA-N 457.619 2.468 30 10 JEEE C=C(Br)Cn1c(-c2cccc(C)n2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1760305872 UWGLZDRXFRMJMI-HNNXBMFYSA-N 460.336 2.030 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1760335761 QJMDSCUGPOHNDI-JTJHWIPRSA-N 469.590 2.084 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1760412974 VNHRVPZPJZLEAF-OALUTQOASA-N 478.663 2.365 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCCN(C(C)=O)CC1 1760548594 LJZNDGLLODVKSX-KRWDZBQOSA-N 479.578 2.217 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1760551443 FWRCHGRHERAXSD-HXUWFJFHSA-N 476.647 2.052 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC(OC[C@@H]2CCCCO2)CC1 1760552497 QAZLBQRHGFRDGI-IBGZPJMESA-N 463.604 2.429 30 10 JEEE CC(=O)N1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2ccc(C#N)o2)[C@@H](C)C1 1760614078 JEBMGPBKRUWLQP-OXJNMPFZSA-N 499.572 2.156 30 10 JEEE C[C@H](CC#N)N(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(N2CCOCC2)nc1 1761363093 BVBGJMQDHAYARO-QGZVFWFLSA-N 480.598 2.288 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@H]1CCCS1 1764173361 FFAFBXQKNLKKEL-GOSISDBHSA-N 485.662 2.332 30 10 JEEE COc1ccc([C@H](C)CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)cc1 1768425238 AGDZOURPWJKGFT-YVWKXTFCSA-N 459.572 2.111 30 10 JEEE COc1ccc2nc(N3CCN(C(=O)c4ccc(S(=O)(=O)N(C)C)cc4)CC3)c(C#N)cc2c1 1857959760 QUPPBRGEKQBADO-UHFFFAOYSA-N 479.562 2.328 30 10 JEEE C[C@@H](NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1)C(=O)N1CCN(c2ccccn2)CC1 1868782518 JTUHJCMWNZZBSX-QUCCMNQESA-N 466.611 2.273 30 10 JEEE CCC[C@H](NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(=O)N1CCN(C(C)=O)CC1 1868783704 UHPTZKURKRBNNF-VQTJNVASSA-N 459.616 2.000 30 10 JEEE COCCN(CCOC)C(=O)[C@H](CSCc1ccccc1)N=C1NS(=O)(=O)c2ccccc21 1869928453 YXNJHPJDRGUDKQ-FQEVSTJZSA-N 491.635 2.149 30 10 JEEE C=CCn1cc(OCCN2C(=O)c3ccccc3C2=O)c(=O)cc1CN(CCO)CCCC 1870378444 YBABBQXLWZEZHM-UHFFFAOYSA-N 453.539 2.304 30 10 JEEE C=CCn1cc(OCC(=O)N[C@@H](C)c2ccccc2)c(=O)cc1CN(CCOC)CCOC 1870414898 PHUMXJRWDCMSSK-FQEVSTJZSA-N 457.571 2.385 30 10 JEEE C=CCN(CC=C)c1nc(=NCCN2CCOCC2)[nH]c(=Nc2cccc(C(F)(F)F)c2)[nH]1 1871498459 UCNHNUBLCMSALS-UHFFFAOYSA-N 463.508 2.400 30 10 JEEE Cc1nnc(SCC(=O)NC2CCCCC2)n(/N=C/c2cn(CC(=O)O)c3ccccc23)c1=O 1873494887 HMJWAUHDSUBFDX-BHGWPJFGSA-N 482.566 2.409 30 10 JEEE CC(C)N1C(=O)CS[C@H](C(=O)NC2CCN(C(=O)N(C)C)CC2)[C@@H]1c1ccc(C#N)cc1 1890743839 UILGBPRLVLOWEM-SFTDATJTSA-N 457.600 2.214 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)NCCn1cc(I)cn1 1962866903 ALNGXMTZSDQMNO-ZDUSSCGKSA-N 461.304 2.191 30 10 JEEE CC(C)(C)OC(=O)N1CC(CNS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2247985813 MVGSABAPXXXQPM-UHFFFAOYSA-N 458.411 2.193 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CC[S@@](=O)(=NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2255853858 VJJIIKAOQXHIRY-YSVRNHBLSA-N 453.370 2.219 30 10 JEEE CN(C[C@@H](O)CN(C)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)OC(C)(C)C 2255877096 HNESWKOKCAQITA-AWEZNQCLSA-N 454.398 2.347 30 10 JEEE Cc1cc(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 2267159588 JXHPSUBEVLWJON-HOCLYGCPSA-N 466.409 2.313 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](NC(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)CCO1 2267561322 NYCVBETXPGNKJA-HUUCEWRRSA-N 450.341 2.381 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CCO)C(=O)Nc1ccc(F)c(F)c1B1OC(C)(C)C(C)(C)O1 2268722928 KUUSNSFIMBEEAA-CQSZACIVSA-N 456.295 2.478 30 10 JEEE CCOC(=O)CN(Cc1ccccc1)S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2269015466 INBVWRJATPGSTP-UHFFFAOYSA-N 460.361 2.135 30 10 JEEE CCc1nn(C)c(C(=O)N[C@@]23C[C@@H]2CN(Cc2ccccc2)C3)c1B1OC(C)(C)C(C)(C)O1 2281987085 XHTKFWNGQWRODG-IQGLISFBSA-N 450.392 2.286 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)NCCC1(O)CN(C(=O)OC(C)(C)C)C1 2282139472 VXTUYPOGLBVYMI-UHFFFAOYSA-N 460.380 2.396 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(NS(=O)(=O)Cc2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2282500698 ZWFMUPBPOZDQFB-UZUQRXQVSA-N 478.420 2.415 30 10 JEEE CO[C@](C)(CNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1)COCc1ccccc1 2282507118 BWWSCSLYVTYKBQ-JOCHJYFZSA-N 496.460 2.484 30 10 JEEE Cn1nc(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2282546292 UYZULLCEURHFTI-QGZVFWFLSA-N 469.782 2.223 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(CCNC(=O)OC(C)(C)C)CC(F)F 2282590740 GEKAJHUWJZETMT-UHFFFAOYSA-N 472.342 2.434 30 10 JEEE Cn1nc(C(=O)N2CC[C@H]3CN(Cc4ccccc4)C[C@@H]3C2)cc1B1OC(C)(C)C(C)(C)O1 2282602967 ZSUXSBSGQYGOIN-VQTJNVASSA-N 450.392 2.313 30 10 JEEE CC(C)(C)OC(=O)N1CC(O)([C@H](F)C(=O)Nc2nc(B3OC(C)(C)C(C)(C)O3)ccc2Cl)C1 2284063865 USVBAUCPJSLSHK-CQSZACIVSA-N 485.749 2.293 30 10 JEEE C[C@@H](NC(=O)[C@@H](CCC(N)=O)NC(=O)OC(C)(C)C)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2284135425 PLWQWLYMRNCIOH-UKRRQHHQSA-N 481.424 2.383 30 10 JEEE COc1ccc(C=C2Oc3cc(OCC(=O)N[C@@H](CCC(=O)O)C(=O)O)ccc3C2=O)cc1OC 2297475417 AHZYDVINWDSKSH-INIZCTEOSA-N 485.445 2.133 30 10 JEEE O=C(N[C@H]1CCNC[C@H]1C(=O)C=Cc1ccc([N+](=O)[O-])cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 2328198344 VSUISZQAVPAPCJ-MOPGFXCFSA-N 469.410 2.402 30 10 JEEE COC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2scc(B3OC(C)(C)C(C)(C)O3)c2C1 2336495477 WINJMUUFFVBWMV-MRXNPFEDSA-N 466.409 2.472 30 10 JEEE CC(C)(C)OC(=O)N[C@@]1(C)CN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CC1(F)F 2336777262 ZCSWOUCNESTZDU-IBGZPJMESA-N 456.299 2.083 30 10 JEEE Cn1cc(C(=O)N[C@H]2C[C@@H]3C[C@H]2C[C@@H]3NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2359268174 YHVKODSHECTFAI-OTRWWLKZSA-N 460.384 2.141 30 10 JEEE Cn1cc(C(=O)NC[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2359278288 IXSVMYASSPPWRV-UXLLHSPISA-N 460.384 2.237 30 10 JEEE CC(C)(C)OC(=O)NC1CC(O)(C(=O)N2CCc3scc(B4OC(C)(C)C(C)(C)O4)c3C2)C1 2361640497 IMGUPMSNXFLGSV-UHFFFAOYSA-N 478.420 2.350 30 10 JEEE Cn1nc(Br)c(Br)c1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2364058828 PGFQREPYEFOMFH-UHFFFAOYSA-N 486.961 2.287 30 10 JEEE CC(C)(C)OC(=O)N(CCO)CCC(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)ccc1F 2368512438 CYTBEGODRCRJCZ-UHFFFAOYSA-N 466.359 2.361 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](COc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 204868626 TUIWYGNDGTXLIT-IRXDYDNUSA-N 490.410 2.306 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1COc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 204869007 OZSTWINYGOMVIU-RDJZCZTQSA-N 476.383 2.059 30 10 JEEE C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CCCN(c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 204870563 PJBGJMSMWLRYBS-SJORKVTESA-N 489.426 2.022 30 10 JEEE CC(=NN)c1ccc2c(c1)OCCOCCOc1ccc(C(C)=NN)cc1OCCOCCO2 254792276 ZDKBPVCPQVDTIR-UHFFFAOYSA-N 472.542 2.314 30 10 JEEE CC(=O)O[C@H](C)[C@](C)(O)C(=O)O[C@@H]1CC[C@]2(C)CC(=O)C(C(C)(C)O)=C[C@H]2[C@@]1(C)OC(C)=O 257371521 SJHSSSTUOYMEHM-VBJIAXNRSA-N 468.543 2.009 30 10 JEEE N#Cc1nccnc1OC1CCC(NC(=O)CN2CCN(c3ccc(F)c(F)c3)C2=O)CC1 585356067 VEGRBFRGZJFKSO-UHFFFAOYSA-N 456.453 2.375 30 10 JEEE COc1ccc(N2NOC(=O)/C2=C\C(=NC(=O)c2ccccc2)C(=O)NCc2cccnc2)cc1 585673811 UTAZAUYQRLQJOB-BNQOWTKUSA-N 471.473 2.355 30 10 JEEE C#CCN(C(=O)Cc1ccc(NC(=O)c2ccc(Br)o2)cc1)[C@@H]1CCS(=O)(=O)C1 729334098 IZPYTHHIFCPOFN-MRXNPFEDSA-N 479.352 2.486 30 10 JEEE C#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCn1cc(C(=O)O)nn1 757362225 YIPPIOZUNWHAMX-NRFANRHFSA-N 473.489 2.023 30 10 JEEE Cc1nn(-c2ccccc2)c(N2CCOCC2)c1C=NNc1nc(SCC(=O)NCC(C)C)n[nH]1 1084055624 PMNNUHDVAJSFKM-UHFFFAOYSA-N 497.629 2.446 30 10 JEEE C=CCNC(=O)CNC(=O)[C@@H](NC(=O)OC(C)(C)C)c1cc(Br)ccc1OC 1137841010 NZMYIXXAIALSQS-INIZCTEOSA-N 456.337 2.442 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CC[C@H](OC)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1286384476 RAHZPDCVYRZJGE-MSOLQXFVSA-N 481.500 2.411 30 10 JEEE C#CCN(c1nnc(COCC)n1Cc1cc(Br)cs1)[C@H]1CCS(=O)(=O)C1 1286396491 PYIRSLCKKKEHSN-AWEZNQCLSA-N 473.418 2.314 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1c(C)nn(-c2ccccc2)c1C 1286409798 OYJCDFCETJCQMW-FQEVSTJZSA-N 462.579 2.104 30 10 JEEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CC[C@H](N2CCOCC2)C(F)(F)F)CC1 1286481622 HSBIRRGZRGMVDH-IBGZPJMESA-N 497.591 2.042 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCCCN2C[C@@H](C)C[C@@H](C)C2)CC1 1286493455 VPUISIQYUOMVDM-SZPZYZBQSA-N 497.688 2.124 30 10 JEEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(N(C)C(C)=O)CC1 1286604464 LDRWGUGKSQYEMP-UHFFFAOYSA-N 475.615 2.388 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1286781241 PRPFSUMRXHTYEW-AZUAARDMSA-N 451.575 2.122 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N(C)CC(=O)NC(C)(C)C 1286782612 ZZDOEJOTZMOKNI-UHFFFAOYSA-N 463.380 2.361 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1286791728 APSSONXOBULFKR-UHFFFAOYSA-N 492.971 2.406 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCO[C@@H](C#N)C1 1286815400 UCQQLYFWOIVURO-RDJZCZTQSA-N 461.613 2.461 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@H](C)C[C@@H](C)C1 1286815542 ATCRAXPDJZCQCL-IAGOWNOFSA-N 456.576 2.004 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCC[C@H](NC(=O)CC)C1 1286821408 KCKXFIJRXVKXJG-SFHVURJKSA-N 463.579 2.104 30 10 JEEE CC(C)CN1CCO[C@@H](Cn2c(C(C)C)nnc2N2CCN(c3ccc(C#N)cn3)CC2)C1 1287787309 GBKUOCKKWDKNJA-OAQYLSRUSA-N 452.607 2.352 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2CC2CCN(C(C)=O)CC2)c1 1300336567 JTDBOPBTQONBKU-JOCHJYFZSA-N 464.570 2.444 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3OCC[C@H]3COC)n2Cc2cc(C)on2)c1 1300336995 RQRSUANQSNYBKU-AVRDEDQJSA-N 464.526 2.403 30 10 JEEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)c2c(F)cccc2F)CC1 1300337210 WCSOCCDYAGSSPY-UHFFFAOYSA-N 458.513 2.460 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](c2cccc(F)c2)C1 1300412098 XZTKEQNLTREOBZ-ICSRJNTNSA-N 461.563 2.157 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CC1([S@](C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1300488028 AFQSHRQOKYXPLF-ADSBAMQRSA-N 460.625 2.045 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1C[C@@H]1CN(CC(C)C)CCO1)[C@H]1CCS(=O)(=O)C1 1300488857 HDEQHDFJKZNPCD-ZEQRLZLVSA-N 499.681 2.491 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@](C)(O)CCC)[C@H]1CCS(=O)(=O)C1 1300489421 NUSDBUMLGGNYKQ-GAJHUEQPSA-N 476.599 2.140 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCc1cc(C)ccc1OC)[C@H]1CCS(=O)(=O)C1 1300497335 YIDRIKSOJMKLNO-SFTDATJTSA-N 472.611 2.359 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)c1ccccc1F 1300578148 ICTHOPMIVMEZCK-NRFANRHFSA-N 487.601 2.191 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2nc(C)c(C)s2)CC1 1300732776 PCHRNFPSHPIQSV-ICSRJNTNSA-N 472.615 2.090 30 10 JEEE C#CCSCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(CC(=O)N(C)C)CC1 1300755386 RNRFKRZVPUBHJN-UHFFFAOYSA-N 465.627 2.013 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCOCC1CCOCC1 1300805822 JABIYVFDHAGYGH-DENIHFKCSA-N 450.605 2.006 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCCCO2)nnc1N1CCC(NS(C)(=O)=O)CC1 1300883504 BUFLVDZTBKKMJR-WDSOQIARSA-N 453.609 2.019 30 10 JEEE CC(C)(C)C(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2(C(N)=O)CCOCC2)C1 1302005256 DPMSTJVUXFCSEI-FQEVSTJZSA-N 493.612 2.230 30 10 JEEE C#CC1(O)CN(C(=O)[C@H](NC(=O)OC(C)(C)C)c2ccccc2I)C1 1304607175 VMKFDVABIZFFLX-CQSZACIVSA-N 456.280 2.064 30 10 JEEE C#CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCC(NS(C)(=O)=O)CC1 1358927172 PJKABSJWOVSWOA-UHFFFAOYSA-N 497.625 2.167 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@@H]1CCN(CC)C1)[C@@H]1CCS(=O)(=O)C1 1358966037 GVHWRIYQYOFLBZ-NHCUHLMSSA-N 471.627 2.134 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@]1(N2CCOCC2)CCSC1 1358974297 YDDKZIVPFHXOQY-VWLOTQADSA-N 481.622 2.243 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCOC2CCCCCC2)CC1 1359046713 CLVUOYZTWDEMCH-UHFFFAOYSA-N 470.618 2.106 30 10 JEEE C=C(C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1359123785 NHOKVZOLFINXQU-UHFFFAOYSA-N 466.586 2.321 30 10 JEEE C=CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC[C@H](C(N)=O)C1 1359341228 PPIOTPFVPYIXKQ-INIZCTEOSA-N 467.599 2.296 30 10 JEEE C#CC[C@@H](NC(=O)N1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1)c1ccccc1 1469447745 FCBREEZGCHVYRT-HXUWFJFHSA-N 457.552 2.484 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1CCS(=O)(=O)CC1 1507514826 UDJNNBUWSPUTLJ-OAHLLOKOSA-N 463.991 2.144 30 10 JEEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1CC1(CN2CCOCC2)CCCCC1 1507642499 VXRMUMDFRAQTMO-SANMLTNESA-N 469.630 2.286 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(Br)cc2)n1Cc1ccc(C(N)=O)nc1 1507707606 YCKAPKXDWHPFEE-UHFFFAOYSA-N 469.343 2.336 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1Cc1ccc(C(=O)N2CCCCC2)cc1 1507709958 GZUUPYMZZZPSFI-UHFFFAOYSA-N 459.554 2.496 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCCOC3)n2C[C@@H]2CCOC[C@H]2C)n1 1507715769 CMKIOVSXXJAUMJ-QHAWAJNXSA-N 456.591 2.327 30 10 JEEE C=C(Cn1c(Cc2ccncc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1)c1ccccc1 1507851077 FEFQISLPIHBDPT-IBGZPJMESA-N 452.584 2.447 30 10 JEEE C=C(Cn1c(C(=O)NC(C)C)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1)c1ccccc1 1507853498 DUZXYYXRCINDEE-HXUWFJFHSA-N 467.618 2.166 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCO[C@@H]2C(C)C)C1 1508113798 IDQXBIFSYOLAEU-INDMIFKZSA-N 455.625 2.121 30 10 JEEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cccnc2OCC)C1 1516022347 FIWVLCOCFJXHGJ-HXUWFJFHSA-N 481.582 2.177 30 10 JEEE COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCn2cc(Cl)cn2)CCO1 1518939294 CTRQPQKZLAIZPV-LJQANCHMSA-N 457.922 2.130 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2cc(C(=O)OC)cc(OC)c2OC)ccc1F 1524126521 KZLBCUSBJUOGHF-UHFFFAOYSA-N 452.460 2.346 30 10 JEEE C#CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1539049601 QVHXNIKNSHXMRM-INIZCTEOSA-N 464.389 2.466 30 10 JEEE C#CCCCCn1c(-c2cccc(C)n2)nnc1N1CCN(Cc2nc(COC)no2)CC1 1539067394 DVJSZTKVFDAIGG-UHFFFAOYSA-N 450.547 2.304 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCNC(=O)c1cccs1 1539362357 YECWVQFHFZRABO-UHFFFAOYSA-N 461.551 2.143 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC(=O)N2CCCCC2)CC1 1539470176 LDHZIWBLEXWAHY-UHFFFAOYSA-N 493.568 2.222 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC2(N(C)C)CCC2)CC1 1539474784 YOOCHBBJTCOPTJ-UHFFFAOYSA-N 480.613 2.412 30 10 JEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC2(CC1)Cc1ccccc1C2=O 1539498869 XOXLHGWPGLUBMR-KRWDZBQOSA-N 487.651 2.280 30 10 JEEE C#CCSCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCN(C(=O)NCC)CC1 1539513617 PTZMNUIMNMTWOP-UHFFFAOYSA-N 464.599 2.349 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CC)C[C@@H]1COc2ccccc2O1 1539751522 OSBKPNSLJRRSOP-RBUKOAKNSA-N 476.599 2.439 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1539917865 XXAQKMPSCOAWNK-HRCADAONSA-N 495.568 2.369 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1540868086 RHUMBZIKOJKUKL-UHFFFAOYSA-N 486.020 2.035 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CCOC2(CCOCC2)C1 1540875439 LWIDMMCAENHZBF-UHFFFAOYSA-N 455.559 2.108 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2c[nH]c3ccccc23)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1540904722 PLMIRCNJNDMDJI-LJQANCHMSA-N 484.626 2.256 30 10 JEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2C[C@@H](F)C[C@H]2CN(C)C(=O)OC(C)(C)C)cc1 1556581897 AUIDMOMLGPDCQV-IRXDYDNUSA-N 453.536 2.018 30 10 JEEE CCN(CCC#N)S(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCCc1ccc(F)cc1 1561137084 ARHWKILJTGQVKC-JOCHJYFZSA-N 458.559 2.392 30 10 JEEE C#CCN(c1nnc(C(C)C)n1C[C@H](C)N1CCc2ccccc2C1)[C@@H]1CCS(=O)(=O)C1 1588030351 SWQILVXDRUPYBJ-SIKLNZKXSA-N 455.628 2.475 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCSc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1588030592 XXSHLJJKSPGJBB-SFHVURJKSA-N 475.640 2.144 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@](C)(O)c1ccco1)[C@H]1CCS(=O)(=O)C1 1588059072 IVEQMLCKXNYBOR-RDPSFJRHSA-N 468.579 2.305 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCOC[C@H]1C 1588473687 RKLYTZAFTBKVTP-ZIFCJYIRSA-N 463.579 2.340 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC[C@@]1(O)C[C@H]2CC[C@H]1C2 1588595578 WMAGCZJMZRNPMI-VAXXYWNWSA-N 472.611 2.376 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CC2(O)CCN(C(C)C)CC2)CC1 1588790857 FOVUOEHMABRZRU-UHFFFAOYSA-N 496.656 2.343 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCc2ncc(CC)s2)CC1 1588930544 YSZLKXKAZAOJMH-GOSISDBHSA-N 456.616 2.400 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@@H]2CCOC[C@@H]2OC)CC1 1588961874 POPDMXGRYYTJRS-UPVQGACJSA-N 495.624 2.491 30 10 JEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2ccc(F)cc2F)C1 1588983984 DZOUWHFSCBCBOT-KBXCAEBGSA-N 485.582 2.111 30 10 JEEE C=CC[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCS(C)(=O)=O)c1ccccc1 1594545533 UIISSKNCTCNKDI-RBUKOAKNSA-N 466.629 2.021 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1595506732 KZLTVNPZNFJJQH-UHFFFAOYSA-N 496.612 2.493 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 1595555805 HOMQITJTNNIYDY-SFHVURJKSA-N 469.521 2.395 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)CC(=O)NC(C)(C)C)cc1 1595613326 CEAYLZNTNGITSP-GOSISDBHSA-N 475.615 2.144 30 10 JEEE C[C@H]1C[C@@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@@H]2O)[C@@H](C)C(=O)O[C@@H]([C@@H](C)O)[C@@H](C)C=CC1=O 1615671701 UEIVQYHYALXCBD-LMQABCNXSA-N 469.619 2.164 30 10 JEEE biogenic C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)Cc1cc(C(=O)OCC)no1 1622564728 MAOLZOYVIDUIBD-UHFFFAOYSA-N 455.533 2.016 30 10 JEEE C#CCN(C(=O)Nc1ccnn1Cc1ccc(OC(F)(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 1624047862 LGIOSMSUIWANTN-OAHLLOKOSA-N 456.446 2.484 30 10 JEEE C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCNC(=O)[C@H]1c1ccc(I)cc1 1681288606 FDAHKTGWUDKKAK-OWCLPIDISA-N 455.296 2.207 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(N2CCOCC2)c(F)c1 1689830472 AICWRIDRZVBTKM-UUOWRZLLSA-N 457.550 2.412 30 10 JEEE C#CCCCn1c(N2CCC(C(=O)Nc3nncs3)CC2)nnc1[C@]1(OCC)CCOC1 1689940709 AXLQKIGJHPETBT-NRFANRHFSA-N 459.576 2.050 30 10 JEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1C[C@@H]1CCOC[C@H]1OC)[C@H]1CCS(=O)(=O)C1 1689982432 NCTTXSRKZWPXBS-YSIASYRMSA-N 479.002 2.277 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1CCN(CC)CCC)[C@@H]1CCS(=O)(=O)C1 1689984881 XJVDQJZRFXGPDW-HXUWFJFHSA-N 487.626 2.075 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1CCOc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1689986631 UFNSKBULDCHWOS-SFHVURJKSA-N 457.531 2.128 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1Cc1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1689993714 KDVCDQQJXGQNRW-LJQANCHMSA-N 471.608 2.317 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[C@@H]1CCOc2ccccc21 1690032444 BLKHBYMKALNBTA-RBUKOAKNSA-N 455.584 2.308 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccn3C)n2CCCS(=O)(=O)Cc2ccccc2)CC1 1690120519 XONPZWUHLPFXJD-UHFFFAOYSA-N 466.611 2.044 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@H]2NC(=O)CC2(C)C)CC1 1690137751 HYDKADBXLHRYQW-DYESRHJHSA-N 496.587 2.438 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CC2(C(=O)NCC)CCC2)CC1 1690139305 GYLDWQBTTLOXGR-UHFFFAOYSA-N 452.559 2.119 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@](C)(O)c1ccccc1Cl 1690190092 KWQOQBBQSRCUOZ-RVHYNSKXSA-N 466.007 2.442 30 10 JEEE C=C(C)COCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1690306537 WYLQSDSEKLPMML-JOCHJYFZSA-N 498.628 2.298 30 10 JEEE C=C(Cl)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCN(C)C(=O)[C@@H]1C 1690350174 ADQXVTAHVRNEIT-IBGZPJMESA-N 458.010 2.062 30 10 JEEE C=CC[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](S(C)(=O)=O)C1)c1ccccc1 1690444542 JDDRQURAJVNXSM-HSALFYBXSA-N 478.640 2.163 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC(C(=O)NC)CC1 1690660985 SCWCHAOHYIEQNK-SFHVURJKSA-N 454.575 2.300 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CCN(c2ccccn2)CC1 1690676020 NAALOZCKTROCEJ-UHFFFAOYSA-N 461.570 2.443 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N(C)Cc1ccc2c(c1)OCCO2 1690722780 VGTQWHPPALIAON-UHFFFAOYSA-N 457.556 2.292 30 10 JEEE CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1nnc2n1CCCCC2 1696460687 CZWNCGXKZRPSKV-QGZVFWFLSA-N 482.614 2.442 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1CCN(C(C)=O)CC1 1705591384 OMZKWMSVTDXTNC-UHFFFAOYSA-N 467.595 2.070 30 10 JEEE C#CCN(CC#CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC1([S@](C)=O)CC1 1705600580 FABFLUZLIULVJG-UMSFTDKQSA-N 478.666 2.017 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3COc4ccccc4O3)n2CC(C)(C)O)n1 1705631989 UJNAXPYHIFGHQQ-OAQYLSRUSA-N 466.542 2.044 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCc2nc(C)no2)CC1 1705645846 HJOXGNBCXGCWLO-UHFFFAOYSA-N 458.526 2.107 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](OC)c1ccccc1 1705717663 PCMLPEWRTVXDRJ-UXHICEINSA-N 463.604 2.401 30 10 JEEE C=C(Cn1c(COCC)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1)c1ccccc1 1705743640 DOMSJOSPNSHBBZ-NRFANRHFSA-N 475.615 2.159 30 10 JEEE C=CCOc1ccccc1Cn1c(-c2cccn2C)nnc1N1CCN(C(=O)COC)CC1 1705912654 PUCJGLNVYGOCBY-UHFFFAOYSA-N 450.543 2.192 30 10 JEEE CC[C@@H](C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1)OC 1708364723 DENNZOSKHVFHFE-NQIIRXRSSA-N 453.591 2.088 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1CCc1ccc(NC(C)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1722359781 BARLKYKZSVTFLU-JOCHJYFZSA-N 478.578 2.168 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CC(F)(F)CO1)[C@@H]1CCS(=O)(=O)C1 1722371338 VKLFECKWPPONCO-BRSBDYLESA-N 486.585 2.248 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCN1CCN(C(C)=O)CC1 1722475822 WZDBQZIZRUKRGR-YZIHRLCOSA-N 499.660 2.205 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1722506760 WFCBHWINESWQMF-XCJLJZCSSA-N 464.636 2.379 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H](C)N1CCCCC1 1722516636 CBLMHIAROZZUDY-WOJBJXKFSA-N 468.668 2.278 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 1722698419 YQBAESGQSWXZGU-INIZCTEOSA-N 468.587 2.369 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1722705837 ISJGWUCWOYOMMP-CEYNDMKZSA-N 469.586 2.494 30 10 JEEE Cc1cc(C)n(Cc2nnc(N(C)C[C@H](C)C#N)n2Cc2ccccc2CN2CC[C@@H](O)C2)n1 1725928074 GVJDKEJJWNZBBA-WZONZLPQSA-N 462.602 2.351 30 10 JEEE CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2nnc(C)s2)CC1 1727101136 BMXHFFPXNULGRO-QGZVFWFLSA-N 493.641 2.256 30 10 JEEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(N(C)C)CCSC2)C[C@@H](C)O1 1730608637 DWQWXXJHRUJJMR-UTSGNWPNSA-N 486.642 2.406 30 10 JEEE COCCN1C[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2C[C@H](C)O[C@@H](C(F)(F)F)C2)CC1=O 1730780326 CEBVIIXGCFHYAX-KVSKMBFKSA-N 492.502 2.468 30 10 JEEE C#CCCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1740571472 ZQJBHNGRVPLSJX-UHFFFAOYSA-N 461.588 2.238 30 10 JEEE C#CCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1740594298 HYFUUTFHIVLYRT-LADGPHEKSA-N 466.630 2.296 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@@H](c1ccco1)N(C)C)[C@H]1CCS(=O)(=O)C1 1740619597 PNTUDAKSNHVMHG-ROUUACIJSA-N 457.556 2.369 30 10 JEEE C#CCN(c1nnc([C@@H]2COc3ccccc3O2)n1CCN(CC)CCC)[C@H]1CCS(=O)(=O)C1 1740628726 ZVKPYVQVJLLPNJ-UGKGYDQZSA-N 487.626 2.149 30 10 JEEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(NC(=O)C(C)C)CC1 1740716140 SJHXNALLONVDMS-UHFFFAOYSA-N 493.637 2.299 30 10 JEEE C=C(Cl)Cn1c(N2CCN(c3nccc(OCC)n3)CC2)nnc1[C@@]1(OCC)CCOC1 1740816317 CASFFKFGYOLWKJ-OAQYLSRUSA-N 463.970 2.198 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN(C(C)=O)C1 1740937550 JAZXNOZSPNKEDO-VQTJNVASSA-N 475.615 2.267 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1740951703 LRJHHRQBZUZDOK-SNRMKQJTSA-N 456.522 2.107 30 10 JEEE C=CCOc1ccccc1Cn1c(-c2cnccn2)nnc1N1CCC(S(C)(=O)=O)CC1 1740968446 BGEJKCLXZRHWBI-UHFFFAOYSA-N 454.556 2.362 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](Oc2ccccc2)C1 1740990388 SQQBXFUPERNVAY-HXUWFJFHSA-N 456.572 2.327 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@H]1CC 1740990438 UVGYPFDHRNYNEI-MRXNPFEDSA-N 456.572 2.172 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)(C)c1ccc(OC)c(OC)c1 1748639313 FNSSHKJNOSOCBQ-JKSUJKDBSA-N 463.604 2.341 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](c1ccc(C)cc1)N1CCCC1 1748639392 GGJRFTSODSLLFS-IRFCIJBXSA-N 458.632 2.492 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2CC2(O)CCCCC2)c1 1748694781 NZJFXVHVJJOQTQ-UHFFFAOYSA-N 464.570 2.152 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1CC1(N(C)C)Cc2ccccc2C1)[C@H]1CCS(=O)(=O)C1 1748802486 QJHGZHUHNHDTLP-NRFANRHFSA-N 469.655 2.302 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2Cc2cc(F)ccc2F)CC1 1749004031 CSQOMPCNFRRLPI-INIZCTEOSA-N 461.513 2.294 30 10 JEEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(CCCO)CC1 1749027022 VFULSDDFVVBBQT-UHFFFAOYSA-N 452.588 2.276 30 10 JEEE C#CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1749037778 INQWIVGYXPEFNS-SIKLNZKXSA-N 498.653 2.194 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C)o2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1749120888 IMBATRWRQBCSGT-KNQAVFIVSA-N 456.591 2.474 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(C(=O)NC)cc1 1749129904 HZXLNRPWLUHDOJ-HBMCJLEFSA-N 487.626 2.157 30 10 JEEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1749630610 SOWDJKRRPCCBOO-QGZVFWFLSA-N 473.578 2.051 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](C)C[C@@H](C)C1 1749724082 GZDPFIMEHYYZEE-CALCHBBNSA-N 466.629 2.432 30 10 JEEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](CC(C)C)N(C)C)CC1=O 1749873118 AGGDVEXYGYTMOH-NRFANRHFSA-N 453.591 2.088 30 10 JEEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2ccc(OCC(F)(F)F)nc2)C1 1750379837 IAIODBQHKQYMBI-IFXJQAMLSA-N 467.427 2.250 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCS(=O)(=O)C(C)(C)C 1760115763 BMSPEYHFXVVRHX-SJORKVTESA-N 483.635 2.258 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCCO3)n2CCNC(=O)C2CC2)c1 1760128849 UUXLGFMQXIMMPP-FQEVSTJZSA-N 450.543 2.102 30 10 JEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCN1CCCO[C@@H](C)C1 1760164845 BHJRMRKXMQNZNE-SFHVURJKSA-N 473.647 2.117 30 10 JEEE C#CCN(c1nnc(-c2ccc3ccccc3n2)n1CCC(=O)N[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1760185020 NTHHPTYIILYLHH-AZUAARDMSA-N 494.621 2.425 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1ccc(C)cc1OC)[C@@H]1CCS(=O)(=O)C1 1760185227 SPAYDAWSCYQPTA-LJQANCHMSA-N 451.552 2.332 30 10 JEEE C#CCN(c1nnc([C@H]2COc3ccccc3O2)n1CCOCCCC)[C@H]1CCS(=O)(=O)C1 1760187858 YLEFIDNSIVYBEO-GHTZIAJQSA-N 474.583 2.234 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCOc1ccc(F)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 1760188208 NLVPVHVGVLHJPF-CVEARBPZSA-N 482.965 2.280 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN1CCC[C@H](C)C1 1760240242 LMUQITVDCQWPJN-RBUKOAKNSA-N 476.622 2.399 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC2(COC)CCOCC2)CC1 1760256665 RNHKPDKWXCSISO-UHFFFAOYSA-N 469.586 2.161 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccn2C)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1760320926 ZNTIZUXFLNFQKB-NZQKXSOJSA-N 469.634 2.255 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCC(C)C 1760321990 MOZBPUMFFXLCCF-QYZOEREBSA-N 455.625 2.075 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(N2CCCC2)nc1 1760336887 KSQQXRQKSPGWIG-FQEVSTJZSA-N 489.646 2.057 30 10 JEEE C=CCOc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CCN(C(=O)OCC)CC2)cc1 1760531260 IUDYMQDIBXIOLG-UHFFFAOYSA-N 468.558 2.292 30 10 JEEE CCC[C@](C)(O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1765458122 HQHOUJOGIOCNMC-DEOSSOPVSA-N 463.590 2.284 30 10 JEEE CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1CC1([S@@](C)=O)CCC1 1766646912 CNMKTYIFLOPANU-XHDOVSQSSA-N 463.629 2.377 30 10 JEEE COCC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2sccc2C)CC1 1769150325 BWXRSYBROIZYFX-UHFFFAOYSA-N 466.567 2.442 30 10 JEEE COc1cc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCCC(=O)NC2CC2)cc(OC)c1OC 1769816593 BILBOJHLCDXWQE-QHCPKHFHSA-N 472.521 2.472 30 10 JEEE COC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1)OC 1770761122 GYOQCRMAORQQHF-RTWAWAEBSA-N 462.558 2.373 30 10 JEEE COCCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(N2CCOCC2)CCSC1 1771073741 FCBUHEDMNQBTQV-QHCPKHFHSA-N 472.615 2.019 30 10 JEEE N#Cc1c(NC(=O)COc2cccnc2NC(=O)N2CCC(C(N)=O)CC2)sc2c1CCC2 1858789386 ZOXFTMHNCKNFBK-UHFFFAOYSA-N 468.539 2.250 30 10 JEEE C=CCOc1ccccc1[C@@H]1C(C(=O)N(CCN)C(C)=O)=C(N)Oc2c1c(C)nn2-c1ccccn1 1865225763 ZBKHHJHSIXQCRO-QFIPXVFZSA-N 488.548 2.169 30 10 JEEE CC[C@@](C)(NC(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1)C(=O)Nc1ccc(C#N)cc1 1866593711 KGWGJGLLMLFTJW-XMMPIXPASA-N 483.594 2.032 30 10 JEEE COc1cccc(Cn2nnc(C#N)c2NC(=O)[C@H](C(C)C)N2C(=O)c3ccccc3C2=O)c1 1870107284 BOTMQIOAOMIGOS-FQEVSTJZSA-N 458.478 2.466 30 10 JEEE C=CCn1cc(OCC(=O)N=c2nc3nc(C)cc(C)n3[nH]2)c(=O)cc1CN(CC)CCCC 1870428849 QDZPVQSPPGLBQE-UHFFFAOYSA-N 467.574 2.150 30 10 JEEE COc1ccc2[nH]c(C(=O)O)c(/C=N/n3cnnc3SCC(=O)NCc3ccco3)c2c1 1873504795 LYHQXLCSEYPAJC-NUGSKGIGSA-N 454.468 2.350 30 10 JEEE CCOc1ccc(/C=N/Nc2cnn([C@@H]3CCS(=O)(=O)C3)c(=O)c2Cl)cc1OCC 1873529124 NMRZSUSKCGBYNZ-YVJZOELXSA-N 454.936 2.500 30 10 JEEE C=CCn1c(C(=O)N2CCC3(CC2)OCCO3)cc2c(N3CCC(N(C)C)CC3)ncnc21 1873562365 ZMOCYBJARTZXER-UHFFFAOYSA-N 454.575 2.127 30 10 JEEE COc1ccccc1C1(C(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)CCOCC1 1889499601 XQFZZRONIDYTNW-UHFFFAOYSA-N 469.626 2.002 30 10 JEEE CC(C)N1C(=O)CS[C@@H](C(=O)N2CCC(N3CCN(C)C3=O)CC2)[C@@H]1c1ccc(C#N)cc1 1889950228 VPELJNQEXBORNP-FCHUYYIVSA-N 469.611 2.310 30 10 JEEE C=C(CN(C)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O)B1OC(C)(C)C(C)(C)O1 2000539585 BATSXXPUMQONKN-JOCHJYFZSA-N 480.367 2.460 30 10 JEEE CC1(C)OB(c2ccc(CNS(=O)(=O)CCCCN3C(=O)c4ccccc4C3=O)cc2)OC1(C)C 2089784844 OYFMQRWCMUIXIV-UHFFFAOYSA-N 498.410 2.482 30 10 JEEE C#CCC[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 2230859295 QVHFDHUWDUOOKQ-BCYZHJNNSA-N 465.591 2.273 30 10 JEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](COc2ncccc2B2OC(C)(C)C(C)(C)O2)[C@H]1OC 2241093372 QONUWFYTMKWHMU-RCCFBDPRSA-N 464.368 2.409 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2C[C@@H](NC(=O)OCc3ccccc3)C2)n1 2255635195 FMQIKVIAYHYBQA-HDICACEKSA-N 468.363 2.389 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)[C@H](CO)C1 2255707949 CZOUKQYTVHHYNM-AWEZNQCLSA-N 452.382 2.101 30 10 JEEE CC(C)(C)OC(=O)NC[C@H](CO)NC(=O)c1cccc(Cl)c1B1OC(C)(C)C(C)(C)O1 2256093715 KPOSEOZFHMDSLJ-CYBMUJFWSA-N 454.760 2.255 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)sc1CNC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)O 2256620257 GOCMKQKKXMDMDP-BBRMVZONSA-N 454.398 2.246 30 10 JEEE C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1sccc1B1OC(C)(C)C(C)(C)O1 2256622975 OCYILFOSFSSXNN-CZUORRHYSA-N 454.398 2.280 30 10 JEEE C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1cc(B2OC(C)(C)C(C)(C)O2)cs1 2256627851 YOPJBGLMORWPQZ-XJKSGUPXSA-N 454.398 2.280 30 10 JEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2256639781 PQVRSZFKLCHPNO-QWHCGFSZSA-N 452.386 2.091 30 10 JEEE CN(C[C@@H]1CCN1C(=O)OC(C)(C)C)C(=O)c1nn(C)c(Cl)c1B1OC(C)(C)C(C)(C)O1 2267501559 ZQKYNPRAMNFFCK-ZDUSSCGKSA-N 468.791 2.454 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCC(C)(C)NC(=O)OC(C)(C)C 2267517441 TYCJQDITFGLYIH-UHFFFAOYSA-N 450.389 2.451 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2csc(B3OC(C)(C)C(C)(C)O3)c2)C[C@H]1CCO 2267560554 FCOAVHROLFRNPX-MRXNPFEDSA-N 466.409 2.491 30 10 JEEE C[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2267720371 AOHYLXIFCSDQRW-AAEUAGOBSA-N 482.355 2.267 30 10 JEEE CC1(C)OB(c2cncc(S(=O)(=O)N(Cc3ccccc3)[C@H](CO)C3CC3)c2)OC1(C)C 2267721083 OBBQHEHQMAOGNE-OAQYLSRUSA-N 458.389 2.343 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1COCCN1C(=O)c1cc(F)ccc1B1OC(C)(C)C(C)(C)O1 2281780631 YJBPNUXLLJJBLJ-INIZCTEOSA-N 464.343 2.491 30 10 JEEE Cn1cc(C(=O)NC[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2282041657 ZPOWWJSBYFWRCU-GFCCVEGCSA-N 476.305 2.295 30 10 JEEE CC(C)[C@H](C)[C@@H](CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)NC(=O)OC(C)(C)C 2282178811 IVVOERYWXHIAQK-LSDHHAIUSA-N 465.404 2.030 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC[C@@H](NC(=O)OC(C)(C)C)C(F)(F)F)n1 2282539184 QCKGXYITKAHKGU-CYBMUJFWSA-N 476.305 2.295 30 10 JEEE Cn1cc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)CC2(C)C)nc1B1OC(C)(C)C(C)(C)O1 2282549176 GQCLZFLJCXUVFN-MRXNPFEDSA-N 462.400 2.485 30 10 JEEE C=CC1(NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)c(CC)nn2C)CN(C(=O)OC(C)(C)C)C1 2282562600 SHWVSUNZJCGNFS-UHFFFAOYSA-N 460.384 2.187 30 10 JEEE CC(C)(C)OC(=O)N1CC2(CC2)C[C@@H]1CNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2282707992 GQZSOGFSGXEEHP-OAHLLOKOSA-N 458.368 2.295 30 10 JEEE COC[C@@H](ONC(=O)OC(C)(C)C)C(=O)N1CCc2sc(B3OC(C)(C)C(C)(C)O3)cc2C1 2283986568 FORNSULMMBVULU-OAHLLOKOSA-N 482.408 2.403 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H](COCc1ccccc1)C(=O)O 2284354310 PUXOXKARROLPDM-LJQANCHMSA-N 455.316 2.394 30 10 JEEE CC1(C)OB(c2ccc(S(=O)(=O)N3CC(COCc4ccccc4)(C(=O)O)C3)s2)OC1(C)C 2284402608 OIZAFQDZHVQCOP-UHFFFAOYSA-N 493.412 2.339 30 10 JEEE CC(C)(C)OC(=O)N1CCC(Oc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)(C(N)=O)CC1 2284465046 MSCRJLZLOIRMOP-UHFFFAOYSA-N 465.331 2.154 30 10 JEEE CN(C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1)[C@H]1CN(C(=O)OC(C)(C)C)CC1(C)C 2289941355 VCUYCVVFSYJVGM-INIZCTEOSA-N 462.400 2.437 30 10 JEEE COC(=O)c1ccc(C=C2Oc3c(CN4CCN(CCO)CC4)c(O)cc(C)c3C2=O)cc1 2293031506 WWCFLLMNAQUGBR-UHFFFAOYSA-N 452.507 2.213 30 10 JEEE COC(=O)c1[nH]c(C)c(C(O)=C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2cccc([N+](=O)[O-])c2)c1C 2296136298 ZDSAHPPZUNMTES-IBGZPJMESA-N 470.482 2.310 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2OCC[C@@]2(C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2296392049 MSGJPQXYHOATFO-QMHKHESXSA-N 459.352 2.345 30 10 JEEE COC(=O)c1ccc([C@H]2C(=C(O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN(C)C)cc1 2296552191 VUECJBMJNZXFTI-NRFANRHFSA-N 466.490 2.228 30 10 JEEE CN(CC(C)(C)CNC(=O)OC(C)(C)C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2337203556 ZJUWMUVLNAWQIR-UHFFFAOYSA-N 450.389 2.342 30 10 JEEE 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)ncn1C 2362350673 UYZYVJSUWBCOMJ-OWCLPIDISA-N 460.384 2.047 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)OC(C)(C)C)n1C 2362485734 FIFLGJPYRHKYQN-OAGGEKHMSA-N 460.384 2.155 30 10 JEEE COc1nc(O[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2N(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2365378754 BPDCSPXRSQDIGQ-IAGOWNOFSA-N 463.384 2.318 30 10 JEEE Cc1nn(CCO)c(C)c1/C=N/Nc1nnc(SCC(=O)Nc2cccc(Cl)c2Cl)n1N 59914535 CRHWUWKTCFJISK-GZIVZEMBSA-N 498.400 2.281 30 10 JEEE COc1cccc([C@@H]2c3c(nc(NCc4ccc5c(c4)OCCO5)[nH]c3=O)NC(=O)[C@@H]2C#N)c1O 72472570 UBVHHIWBRHKAEH-KDOFPFPSSA-N 475.461 2.091 30 10 JEEE Cc1cc(C)c(C(N)=NO)c(-n2cnc(I)c2I)n1 311411392 AYFSUWRLQKXOIY-UHFFFAOYSA-N 483.051 2.188 30 10 JEEE C[C@H](C(=O)c1ccc2c(c1)NC(=O)CO2)[S@@](=O)CC(=O)Nc1sc2c(c1C#N)CCC2 586299633 RJRJEMBTRDSFJG-PCQWEPPDSA-N 457.533 2.398 30 10 JEEE N#Cc1c(NC(=O)C[S@](=O)CC(=O)c2ccc3c(c2)NC(=O)CO3)sc2c1CCCC2 586346009 GMRZZTITWOWAGP-WJOKGBTCSA-N 457.533 2.400 30 10 JEEE N#Cc1ccccc1CN1C(=O)CN(CN2CCN(C(=O)COc3ccc(Cl)cc3)CC2)C1=O 726585918 BNDCZUZXTLOHAM-UHFFFAOYSA-N 481.940 2.157 30 10 JEEE CC(C)(C)C(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CCc1cccnc1 729673058 RXRWWABRXVNYGQ-UHFFFAOYSA-N 457.559 2.313 30 10 JEEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)c1cc(S(N)(=O)=O)ccc1Cl 856257146 HBTYQJZXKCEJEC-ZDUSSCGKSA-N 465.915 2.488 30 10 JEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2c(C)nn(C3CCOCC3)c2C)c1 1125489405 RAVOBNHIBQKMMJ-UHFFFAOYSA-N 450.539 2.338 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(N(C)C)CCOCC1 1286294723 FPFHGSCJMBANAW-OALUTQOASA-N 476.622 2.155 30 10 JEEE C#CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CCC(=O)N1CCOCC1 1286366637 AOHLQRQBXFYUEJ-UHFFFAOYSA-N 462.348 2.035 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1Cc1cccnc1OC)[C@H]1CCS(=O)(=O)C1 1286387424 DSMZBMUBRQDWBK-IBGZPJMESA-N 467.551 2.032 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1CC(C)(C)N1CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1286387552 SDQAOMJPEMDRQO-WOJBJXKFSA-N 472.659 2.421 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1CCc1ncc(CC)s1)[C@@H]1CCS(=O)(=O)C1 1286387901 WINFSUVGNUDRSM-QGZVFWFLSA-N 456.597 2.228 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCN(C)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1286388494 QBFTWWQWJMUNKD-FQEVSTJZSA-N 498.609 2.310 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CCNC(=O)C(C)(C)C)CC1 1286474635 OECBQLOZEXEBNP-UHFFFAOYSA-N 468.602 2.270 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2CCN2CCOC(C)(C)C2)CC1 1286489477 UVDVTBFHDFADET-UHFFFAOYSA-N 480.613 2.030 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2cccc(OC)c2)C1 1286509625 UZVBCCRXJLZNOM-QUCCMNQESA-N 476.624 2.133 30 10 JEEE C=C(C)Cn1c(COc2ccccc2OCC)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1286598466 LJNULZBZTODNJF-QGZVFWFLSA-N 466.546 2.364 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2(OC)CCCCC2)CC1 1286645262 AFHOOMLBAAZKNZ-GOSISDBHSA-N 453.609 2.117 30 10 JEEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 1286706824 ULHDYNQZNUZNAS-UHFFFAOYSA-N 472.615 2.439 30 10 JEEE C=CCCOCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1286712006 WKZIROSURORDOZ-HXUWFJFHSA-N 456.572 2.347 30 10 JEEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1(S(C)(=O)=O)CCCC1 1286722136 PWIZEWOBCUYFPO-UHFFFAOYSA-N 466.633 2.218 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1286793201 AFRQUBDFHHREQH-MQSCRBSSSA-N 487.693 2.104 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1286794132 XQSGQDKNQYDQRQ-LXZJYRNTSA-N 492.621 2.044 30 10 JEEE CN(C[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCO2)C1)S(C)(=O)=O 1298547692 GWOTWJSVGAHUGO-AZUAARDMSA-N 458.588 2.104 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1CCN(Cc2cccs2)CC1 1300270559 DAAGIULNJOYPPT-SJORKVTESA-N 464.661 2.320 30 10 JEEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 1300421447 GYHWUEJBXRBIKG-LJQANCHMSA-N 453.522 2.353 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1ccc(OCCC)nc1)[C@H]1CCS(=O)(=O)C1 1300502408 TWFGGCFAHKTKMB-NRFANRHFSA-N 480.594 2.123 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(=O)NC1CCCCC1 1300559779 ZVHGIUIFKXMKJK-UHFFFAOYSA-N 495.653 2.458 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2CCN2CCC(C)CC2)CC1 1300709778 FSVUXAIJAZFIKL-UHFFFAOYSA-N 452.603 2.353 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1301509443 HIHVWCUNFMULLV-HXUWFJFHSA-N 466.586 2.367 30 10 JEEE CCN(CC)C(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cc(C)nn2C)CC1 1313654017 GZMCGDKZKMGRRA-UHFFFAOYSA-N 461.574 2.491 30 10 JEEE CCn1cnnc1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CC(=O)N(C)C)CC1 1313854456 DNSVPKFJRWVAPP-UHFFFAOYSA-N 477.573 2.083 30 10 JEEE CN(Cc1ncnn1CC(F)F)c1nnc(-c2cccc(C#N)c2)n1CCc1ccn(C)n1 1314776797 BUJUJBIWSSYZDA-UHFFFAOYSA-N 452.473 2.286 30 10 JEEE C#CCN(c1nnc(COc2cc(C)ccc2C(C)C)n1CC1(O)CC1)[C@H]1CCS(=O)(=O)C1 1358965746 AJPAYLDQSGHUIH-IBGZPJMESA-N 472.611 2.441 30 10 JEEE C#CCN(c1nnc(COc2ccccc2OC)n1Cc1ccc(C)nc1)[C@H]1CCS(=O)(=O)C1 1358967945 WBMXONCFFLAXKI-FQEVSTJZSA-N 481.578 2.244 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CC(=O)N1CCOCC1 1358970896 ZXWQFWZFKJGDGC-UHFFFAOYSA-N 456.550 2.284 30 10 JEEE C#CCSCCn1c(COc2ccc(F)cc2)nnc1N1CCC(N2CCNC2=O)CC1 1359060697 FOQNRTKTHNVWRN-UHFFFAOYSA-N 458.563 2.357 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc2c(cc1OC(F)F)OCO2 1359064070 KMJAKTQOIRASMT-LRTDBIEQSA-N 497.524 2.259 30 10 JEEE C=CCN(CC=C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCOC[C@@H]1OC 1359270133 CPGWOSZLRYZDBH-HKUYNNGSSA-N 460.604 2.468 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCN2CCCS2(=O)=O)C1 1359313914 TUAYKPRGKDSULF-FXAWDEMLSA-N 479.578 2.374 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@@]2(O)CCOC2)C1 1359320046 KWXSXWWXUMPPDJ-CYFREDJKSA-N 477.606 2.325 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H](CC)C1 1359328372 BEGOYOBTQBVTHG-QGZVFWFLSA-N 481.644 2.033 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1359329269 DIBOHNNTEQSOMK-UHFFFAOYSA-N 450.524 2.081 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 1359332885 JOTAGBIRYULIAO-UHFFFAOYSA-N 469.970 2.196 30 10 JEEE CC1CCN(CCCn2c(-c3ccc(C#N)cc3)nnc2N2CCC(OCC(N)=O)CC2)CC1 1494053963 AKKHUADWRYEHAA-UHFFFAOYSA-N 465.602 2.409 30 10 JEEE CC[C@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@H]1CCCN1CCCO 1495771516 APKGVFVHKSFLII-XUVXKRRUSA-N 467.622 2.015 30 10 JEEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(C(=O)N(C)C)CCCC2)CCO1 1504712160 ICCNBMYQKSWOGM-FQEVSTJZSA-N 452.559 2.317 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(SC)c(OC)c1 1507588037 DZNUALPNHBOCQZ-IBGZPJMESA-N 493.655 2.391 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H](c1ccco1)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1507631325 OBKMCFKLFJVKMX-AZUAARDMSA-N 483.598 2.038 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccn3C)n2CC(F)(F)CNC(=O)OC(C)(C)C)CC1 1507725343 TYWFCHFHARVJDY-UHFFFAOYSA-N 463.533 2.199 30 10 JEEE C#CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1507751073 DDCATTUTHZRERY-HUUCEWRRSA-N 474.612 2.218 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(COC(C)(C)C)on1 1507765675 UJGNODKJEJENBP-QVKFZJNVSA-N 464.592 2.232 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1507792482 YQQYXRBKTIPMPT-LAUBAEHRSA-N 470.549 2.390 30 10 JEEE C=C(C)COCCn1c([C@H]2CCCCO2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1507844785 PKQFIZPHIGXXSB-LJQANCHMSA-N 473.578 2.170 30 10 JEEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1507910264 LLKXFQFNPHXARP-RBUKOAKNSA-N 460.623 2.484 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCCC[C@H](SCC)C1 1508131901 RZEUAYXNNPLXNJ-KRWDZBQOSA-N 455.650 2.227 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1508139646 ICJAJWGIVVNWHJ-UHFFFAOYSA-N 489.671 2.253 30 10 JEEE C#CCN(C)c1nnc(-c2ccc(Br)s2)n1CCN/C(O)=C1\N=CC=CC1=O 1539158580 DOXIKUNKAWXGLU-BMRADRMJSA-N 461.345 2.365 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@H](OC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1539204698 CABKIBHGGNZDOA-WBVHZDCISA-N 484.420 2.333 30 10 JEEE C#CCN(c1nnc(-c2cc3c(s2)CCCCC3)n1CCCNC(C)=O)[C@@H]1CCS(=O)(=O)C1 1539211899 LSISLZOXRDDWIE-LJQANCHMSA-N 489.667 2.428 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCNC(=O)C1CC1 1539416947 WBEXMAXRKYXUJG-LJQANCHMSA-N 474.606 2.005 30 10 JEEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H]2CCN(CC(F)(F)F)C2)CC1 1539454654 WUEPRXFCLUFQIZ-KRWDZBQOSA-N 467.565 2.273 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@]2(C)COCCO2)CC1 1539481688 DDKVHNRCQWTQIG-XMMPIXPASA-N 471.989 2.294 30 10 JEEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCN([C@@H](C)c2nc(CC)no2)CC1 1539513622 PWZVAWDASVKWHK-KRWDZBQOSA-N 454.604 2.479 30 10 JEEE C=C(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1539704642 GIBZAVKORUCYCC-FPOVZHCZSA-N 482.633 2.396 30 10 JEEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1CCc2ccccc21 1540037104 BGPOOACKZSUBKX-NHCUHLMSSA-N 475.615 2.327 30 10 JEEE C=CCn1c(-c2ccc(Br)cc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1540855240 IUSNEVUOMCSXNE-UHFFFAOYSA-N 461.364 2.067 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@H](COC)C1 1540864509 BVGTXZHHYVLEOY-AWEZNQCLSA-N 464.364 2.491 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N(C)[C@H]1CCOC1 1540866642 VFZWTLKWZRMFEF-AWEZNQCLSA-N 450.337 2.244 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1 1540872994 IUTHJCXGRZQADI-UHFFFAOYSA-N 479.972 2.182 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1540874507 IRSVGCIYJPHCDU-VWLOTQADSA-N 479.585 2.262 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CC[C@@H](C(=O)N(C)c2ccccc2)C1 1540901302 ZMGYOPVVYZVJTB-GOSISDBHSA-N 468.583 2.363 30 10 JEEE CC(=O)N[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)NC(C)(C)C)C1 1541039845 IAILGIAKGJHKJC-IBGZPJMESA-N 467.574 2.138 30 10 JEEE CC(C)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)CCS1 1541401616 FDMGAYIVVOSGGR-IBGZPJMESA-N 478.644 2.198 30 10 JEEE CC(C)Cc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@@H]1CCS(=O)(=O)C1 1541474686 CPHXUSWZUVXTKK-NRFANRHFSA-N 456.616 2.105 30 10 JEEE CC#CCS(=O)(=O)c1cccc(C(=O)NCc2cccc(OCCN3CCOCC3)c2)c1 1542348503 IFINLNUYIGHVQU-UHFFFAOYSA-N 456.564 2.125 30 10 JEEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2c(C)noc2C)C1 1547779502 DZZXUBLYSRKYHX-IBGZPJMESA-N 469.571 2.182 30 10 JEEE N#Cc1cccc(-c2nnc(N3CCC(O)(C(F)(F)F)CC3)n2C[C@H]2CCS(=O)(=O)C2)c1 1555986988 FPCMMZBAGUHHOB-OAHLLOKOSA-N 469.489 2.145 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC[C@@H](C(F)F)N1CCOCC1 1587621181 PKEFPOVWQBBQPW-APWZRJJASA-N 485.539 2.006 30 10 JEEE C#CCN(c1nnc(-c2ccc(Br)cc2)n1CCCOC)[C@H]1CCS(=O)(=O)C1 1588039810 FNXQTWHDOCGIOD-KRWDZBQOSA-N 467.389 2.371 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@H](OC)C(C)C)[C@H]1CCS(=O)(=O)C1 1588069452 OHNAWYGQGUVQLN-FPOVZHCZSA-N 460.600 2.463 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(OC)ccc2Br)n1CCCn1cc(CO)nn1 1588194016 OIEWNIBVEGYYAK-UHFFFAOYSA-N 498.385 2.353 30 10 JEEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](c1cccs1)N1CCCC1 1588265502 BTHANNJUPWWMAP-IAGOWNOFSA-N 450.634 2.246 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1589484497 UCSNIOMLVQSRNL-ZCNNSNEGSA-N 467.636 2.014 30 10 JEEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2ncccc2C#N)CC1 1593763992 TWJDNGWNYSVQHE-UHFFFAOYSA-N 461.574 2.326 30 10 JEEE C=C1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCCN(CC)S(C)(=O)=O)CC1 1594083799 XTNSWBZWGAQBSN-UHFFFAOYSA-N 471.587 2.422 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1595555610 FBZQBXVCMDDQLI-HXUWFJFHSA-N 467.549 2.029 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC[C@@](C)(C#N)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1595602557 NLDVCEVIGIWSTR-MFEFFIJZSA-N 457.579 2.481 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1595812512 WOPXSKJRWJOQAE-UHFFFAOYSA-N 490.655 2.458 30 10 JEEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1595838303 ONJCZPJOXXKLSH-UHFFFAOYSA-N 470.599 2.101 30 10 JEEE C=CCSCCn1c([C@@H]2CCCOC2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1595878348 NVHUALWMRRPRLQ-TYPHKJRUSA-N 462.664 2.080 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1Cc1nccc(C(F)F)n1 1611664354 CHMFGYLYPGZUGW-CYBMUJFWSA-N 476.513 2.172 30 10 JEEE CCCCn1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCO[C@@H](C(=O)NC)C2)c(C)n1 1614533833 FSSJBAFJULQESK-JOCHJYFZSA-N 492.584 2.033 30 10 JEEE CO[C@]1(C)CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1619021829 CUQFZANMWWNIAA-JOCHJYFZSA-N 473.599 2.152 30 10 JEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1C 1627002082 BWOLAFZKXCJTCT-INIZCTEOSA-N 457.980 2.350 30 10 JEEE C=C(C)C[C@@H](CO)NC(=O)C1CCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)CC1 1636699099 BDBPNTLVVNVUIU-HNNXBMFYSA-N 450.479 2.429 30 10 JEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@H](CCC(C)(C)C)C(N)=O)nnc12 1638634834 WMMJWVKZCBHAQV-OAHLLOKOSA-N 456.572 2.119 30 10 JEEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN2CCC(N3CCNC3=O)CC2)cc1 1653187773 BYYDBBUCBQHYMS-UHFFFAOYSA-N 450.543 2.403 30 10 JEEE N#CC1(CS(=O)(=O)N2CCC([C@@H]3OCC[C@H]3NC(=O)C(F)(F)F)CC2)CCCCC1 1655323994 HHNFUTDZXFODOY-CVEARBPZSA-N 451.511 2.338 30 10 JEEE C#CC[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)c1ccccc1 1679192269 USJOGOFNWUAGAL-FQEVSTJZSA-N 455.536 2.238 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)N2C[C@@H]3Oc4c(F)ccc(F)c4O[C@@H]3C2)C1 1679943963 FGTLFFIDFHFXNS-CAPXZKIUSA-N 450.442 2.257 30 10 JEEE C#CCOc1ccc(CNC(=O)N2CCN(S(=O)(=O)c3ccc(C(C)=O)cc3)CC2)cc1 1681326253 YPYUILCXJJCSNX-UHFFFAOYSA-N 455.536 2.117 30 10 JEEE C#CCCCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1689876870 KURXCLKVOOZGPU-OAQYLSRUSA-N 491.600 2.174 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCN1CC=CCC1)[C@H]1CCS(=O)(=O)C1 1689978449 VYBSQLUPDPQXGA-QFIPXVFZSA-N 496.637 2.036 30 10 JEEE C#CCN(c1nnc(COCC)n1Cc1cccnc1OC1CCCC1)[C@H]1CCS(=O)(=O)C1 1689996605 KNJDBHSKPCHRIS-IBGZPJMESA-N 473.599 2.206 30 10 JEEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1690672484 SZTGDVZTNSEOFQ-UHFFFAOYSA-N 485.539 2.376 30 10 JEEE C=CCOc1ccc(Cn2c([C@H]3CCCOC3)nnc2N2CCC(OCC(N)=O)CC2)cc1 1690680567 VVHCXZSZUXTCFM-IBGZPJMESA-N 455.559 2.256 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1c1ccc(OC)cc1 1690724884 YDDQGPOCVITIAJ-AZUAARDMSA-N 494.639 2.131 30 10 JEEE CC1(C)CN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCS(=O)(=O)CC2)CCS1 1692866917 HYEDTLJKRWXMOA-UHFFFAOYSA-N 461.613 2.088 30 10 JEEE C[C@H]1CC[C@@H](C)CN1c1nnc(COc2ccc(C#N)cc2)n1CCNS(=O)(=O)Cc1ccon1 1693602436 DJPMSQBHLQEPQE-MSOLQXFVSA-N 499.597 2.461 30 10 JEEE COc1ccc(OC)c(CCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@@H](C)C#N)c1 1697473279 DWCVBFNTMWXQFB-FUHWJXTLSA-N 461.588 2.426 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OCC)CCOC3)n2C[C@@](C)(O)c2ccco2)c1 1705504390 VBPCVNKFPVXPTO-FTJBHMTQSA-N 493.564 2.487 30 10 JEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 1705532715 QIDUHGFFMCOSGU-ICSRJNTNSA-N 461.632 2.069 30 10 JEEE C#CCN(c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@](C)(O)C(C)C)[C@H]1CCS(=O)(=O)C1 1705565031 FPKAVZQAXAAFEM-XUZZJYLKSA-N 482.610 2.165 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1cc(COC(C)(C)C)on1)[C@H]1CCS(=O)(=O)C1 1705565498 VFXJBKWJLLJHKA-IBGZPJMESA-N 484.582 2.318 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1705707206 GZPYJWZOFVYXDE-MQSCRBSSSA-N 474.650 2.491 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1CCCC[C@H]1C 1705716758 UUOYVIRKFHYYMW-UXHICEINSA-N 468.668 2.278 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2c(F)ccc(F)c2C1 1705725808 SQPJXAGOAKRWDS-SFHVURJKSA-N 453.515 2.028 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@@H](C)c2nccs2)CC1 1705736884 FONYKDHRSHASPC-ROUUACIJSA-N 480.660 2.113 30 10 JEEE C=CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 1705889275 FDTNWUOFGXZFKA-OAQYLSRUSA-N 485.614 2.194 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCN2C(=O)CC[C@H]2C1 1705906963 VWKKLSFMDVXOKH-IBGZPJMESA-N 466.586 2.402 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2(S(C)(=O)=O)CCCC2)C1 1705914043 FGDPIOGMLVRNFZ-QGZVFWFLSA-N 474.587 2.064 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1705937340 QRCAWNVCWIPYOF-NJNPRVFISA-N 452.621 2.384 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@H](c1ccc(C)cc1)N1CCOCC1 1722274666 VSGOCNUARPCQBW-RBBKRZOGSA-N 450.587 2.354 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@H](C)CN2CCCC2)c1 1722306014 NVZDRXRPDRJQOE-LJQANCHMSA-N 465.602 2.204 30 10 JEEE C#CCCCn1c(-c2cccc(OC)c2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1722325074 DGZHLYAPPKUOIV-HXUWFJFHSA-N 450.587 2.500 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2Cc2ccc(OC)nc2OC)CC1 1722441040 ILYHIJCVSRLKIQ-UHFFFAOYSA-N 466.517 2.212 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2CC(C)(C)N2CCOCC2)CC1 1722443710 ZYVIQRXNYFOXFA-UHFFFAOYSA-N 480.613 2.030 30 10 JEEE C=C(Br)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(C)C(=O)[C@H]1C 1722483515 HHKAJWVYKBQPBJ-GFCCVEGCSA-N 458.320 2.169 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC1(O)CCOCC1 1722658514 JCRKWIDMDNFAQC-FQEVSTJZSA-N 460.600 2.304 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1722727900 PGXQZFWBUASDOM-FQEVSTJZSA-N 497.625 2.084 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCOc2ccccc2)nnc1N1CCO[C@H](C(F)(F)F)C1 1722730544 VURDAUCQUGXDST-KRWDZBQOSA-N 474.505 2.268 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1cc(OC)c(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1740622545 ZJQYVWBVMONKLE-GOSISDBHSA-N 497.577 2.041 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CCSCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1740623983 BPWHYYVFGDEENQ-INIZCTEOSA-N 473.546 2.186 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1Cc1c(CC)nn(C)c1OC 1740638288 IZSSKKNOVMQBMT-UHFFFAOYSA-N 498.591 2.491 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1Cc1ccccc1OCCN(C)C 1740653221 FCIQPBPTYPIITJ-UHFFFAOYSA-N 474.565 2.457 30 10 JEEE C#CCSCCn1c(N2CCN(C(=O)c3ccccc3)CC2)nnc1[C@@]1(OCC)CCOC1 1740723807 UJNBHKTZSMSPEJ-XMMPIXPASA-N 469.611 2.259 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC(c2cnn(C)c2)CC1 1740954501 AQWWJEIQHSTNQK-UHFFFAOYSA-N 465.558 2.382 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC(NC(=O)c2ccsc2)CC1 1740956510 TZNBEVDSYNXROX-UHFFFAOYSA-N 451.556 2.103 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCCN(c2nc(C)ns2)CC1 1740962567 HQLVDUDCHQOIRF-UHFFFAOYSA-N 458.617 2.109 30 10 JEEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1740962982 VTMLMRMLPOOJFZ-QGZVFWFLSA-N 480.535 2.447 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1740990854 HQZPWJHLCFTCIN-UHFFFAOYSA-N 462.620 2.464 30 10 JEEE CC(C)OC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCN2CCCO)CCO1 1741753383 CMQXDPLGCGQISA-DHIUTWEWSA-N 468.602 2.294 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCC(=O)NC1CC1 1748673384 GNZUZESURQWDJU-FUHWJXTLSA-N 460.579 2.103 30 10 JEEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC1(S(C)(=O)=O)CCC1 1748680680 WCSQYFHWCYALGB-NRFANRHFSA-N 484.670 2.068 30 10 JEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1748760325 ZVEHQCBAZBDTBB-INIZCTEOSA-N 468.587 2.258 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@](C)(O)c1ccco1)[C@H]1CCS(=O)(=O)C1 1748808729 GRFJQRRSXBPLDG-SBUREZEXSA-N 470.551 2.081 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cn(C)c3ccccc23)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1748883175 VMHQELYEYBAZRA-LJQANCHMSA-N 464.595 2.181 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC1 1748999215 MBOONOUQLULBSU-HXUWFJFHSA-N 496.509 2.015 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2cc(F)cc(F)c2)CC1 1749001551 WHNWIUJNSLRNGY-UHFFFAOYSA-N 470.524 2.001 30 10 JEEE C#CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(CC)[C@H](C)C1 1749038924 MZBKJFPAZAHXKD-LJQANCHMSA-N 454.648 2.349 30 10 JEEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1749039694 ZEZJYXKVYMJRFW-QGZVFWFLSA-N 453.568 2.271 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)cc2)n1CCS(=O)(=O)N1CCSCC1 1749060474 QVDYNLLUMPYZAM-JOCHJYFZSA-N 475.640 2.324 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)N1CCC(C)CC1 1749158338 HJUJPCWINBXVOR-PMACEKPBSA-N 468.668 2.134 30 10 JEEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 1749222160 AKLZVOYINISKBW-IRLDBZIGSA-N 484.649 2.088 30 10 JEEE C=CCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1749352822 XHYMCKGPPDNCER-QGZVFWFLSA-N 454.641 2.126 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1749740365 VCPNHSWCAVKCCC-CTNGQTDRSA-N 487.626 2.037 30 10 JEEE CC(=O)NC[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCN(C(C)=O)C2)C1 1749994330 HVYOITPYHLAACH-DHIUTWEWSA-N 493.612 2.340 30 10 JEEE C[C@H](C#N)CN(C)c1nnc(Cc2cccnc2)n1CCOc1ccc(S(C)(=O)=O)cc1 1750076792 BELNRTDRWHDIGE-QGZVFWFLSA-N 454.556 2.342 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1nc2c(s1)CCCC2 1760117286 NRFSRAGMCPDRBZ-FUHWJXTLSA-N 492.671 2.037 30 10 JEEE C#CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1760137241 HJLIKRNRRUECIS-FQEVSTJZSA-N 471.631 2.269 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@@](C)(O)c1ccco1)[C@@H]1CCS(=O)(=O)C1 1760185053 OMQFCCDUDRLVNK-WZONZLPQSA-N 454.552 2.381 30 10 JEEE C#CCN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCS(=O)(=O)CC 1760233610 MRFVVMWDJMCUHH-UHFFFAOYSA-N 453.609 2.287 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@]2(C)OCCc3sccc32)CC1 1760273085 HUVUVDHHHRHLCK-QHCPKHFHSA-N 457.600 2.330 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1760312941 GVYTVJBTPHBCSG-UHOSZYNNSA-N 467.636 2.191 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1c(C)nn(C)c1C 1760478414 GVWUURZGLMMJGB-QGZVFWFLSA-N 482.614 2.351 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)c1c(C)noc1C 1760495692 URONNZMFGJCSNS-YJBOKZPZSA-N 464.592 2.198 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1760519450 DNCTXBIREUJEPH-OSPHWJPCSA-N 471.558 2.039 30 10 JEEE C=CCOc1ccccc1Cn1c(-c2cccn2C)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1760532471 WERCHEXNSBCTOA-UHFFFAOYSA-N 491.596 2.070 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC(CN2C[C@H](C)O[C@H](C)C2)CC1 1760552618 VBGLCVPUKXDRPS-BGYRXZFFSA-N 490.674 2.210 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc3cccnc23)nnc1N1CCC[C@H](CNC(C)=O)C1 1760552927 GKTWEIZPUZRZOA-LJQANCHMSA-N 482.610 2.447 30 10 JEEE Cc1ccc(OCc2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@@]2(O)CCS(=O)(=O)C2)cc1C 1761831849 AMDRGBGKGXRITP-PKTZIBPZSA-N 473.599 2.154 30 10 JEEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C 1762610739 DUHTUKCLTAITNO-DLBZAZTESA-N 469.594 2.466 30 10 JEEE CN(C)C(=O)CCCn1c(-c2cc(F)ccc2Br)nnc1N1CCO[C@H](C#N)C1 1768435458 DCURVGVPOIGHAF-CQSZACIVSA-N 465.327 2.444 30 10 JEEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCCCO2)n1CCS(=O)(=O)N1CCSCC1 1768633380 FVLSENGGYIYXBU-FQEVSTJZSA-N 490.655 2.406 30 10 JEEE CS(=O)(=O)NCCn1c(-c2cccc(Br)c2)nnc1N1CCC(CC#N)CC1 1771367897 BKPAJDADUNKMMQ-UHFFFAOYSA-N 467.393 2.387 30 10 JEEE C=CCOC(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 1859011464 GIWAVVIJHVNRPR-UHFFFAOYSA-N 478.439 2.076 30 10 JEEE O=C(C1=C(O)C(=O)N(CCN2CCOCC2)[C@H]1c1cccc(O)c1)c1ccc2c(c1)OCO2 1862625616 KSPVFGHQLFMSIM-NRFANRHFSA-N 452.463 2.031 30 10 JEEE COc1cc([C@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2CCNC(C)=O)cc(OC)c1OC 1862741924 CYYUFXZGLOAYFA-FQEVSTJZSA-N 499.476 2.335 30 10 JEEE C=CCOc1cn(CCN2C(=O)CSC2=O)c(CN2CCN(c3ccccc3OC)CC2)cc1=O 1870388425 WFZLJKZVRKJGFN-UHFFFAOYSA-N 498.605 2.439 30 10 JEEE C#CCOc1cn(Cc2ccc(S(N)(=O)=O)cc2)c(CNc2cc(NC(C)=O)ccc2C)cc1=O 1871008186 LBDQEDXBLGJCPM-UHFFFAOYSA-N 494.573 2.435 30 10 JEEE COC(=O)c1ccccc1N1C[C@@H](C(=O)NC2CCN(Cc3ccc(C#N)cc3)CC2)CC1=O 1873723976 BNYFYJDFESGLKU-FQEVSTJZSA-N 460.534 2.479 30 10 JEEE CC(C)N1C(=O)CS[C@H](C(=O)N2CCN(c3ccncn3)CC2)[C@@H]1c1ccc(C#N)cc1 1889496364 FGNXQWJMXKTYQO-VXKWHMMOSA-N 450.568 2.091 30 10 JEEE Cc1nc(I)c(I)n1C[C@](C)(C#N)NC1CC1 1941556143 KTPUTFDPFJZDJW-NSHDSACASA-N 456.069 2.435 30 10 JEEE CN(CC(C)(C)C)[C@H]1C[C@H]2C(=O)NC3(CCN(Cc4cccc(C#N)c4)CC3)CC(=O)N2C1 2080409063 WQGUTJAZQQFDBE-VXKWHMMOSA-N 451.615 2.360 30 10 JEEE C#CCn1ncc(NC[C@@H]2CN(C(=O)OCc3ccccc3)CCO2)c(Br)c1=O 2106127145 OHJFIIFHZGBOTR-MRXNPFEDSA-N 461.316 2.089 30 10 JEEE CN[C@@](C#N)(Cn1cnc(I)c1I)C1CCOCC1 2142972547 BNEWMFHZRCDXJP-LBPRGKRZSA-N 486.095 2.001 30 10 JEEE CC1(C)OB(c2ccc(C(=O)NC[C@H]3CN(C(=O)OCc4ccccc4)CCO3)o2)OC1(C)C 2255708862 OPSALUBBVLDQRS-SFHVURJKSA-N 470.331 2.346 30 10 JEEE CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)[C@@H]1C[C@@H]1B1OC(C)(C)C(C)(C)O1 2267098145 WMPNNOPVHKENDY-PMPSAXMXSA-N 452.357 2.480 30 10 JEEE CC(C)[C@@H](CCNC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1)NC(=O)OC(C)(C)C 2267188431 LYOUXUFZQZUOMO-OAHLLOKOSA-N 450.389 2.389 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC[C@H](C)N(C)C(=O)OC(C)(C)C 2267523685 FZIKGACXUDBOBY-AWEZNQCLSA-N 450.389 2.403 30 10 JEEE C[C@H]1COC[C@@H](C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)N1C(=O)OC(C)(C)C 2268646477 JVZJORGTYAAJED-KBPBESRZSA-N 467.397 2.083 30 10 JEEE C[C@@H](OCc1ccccc1)[C@H](NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)O 2269032161 LUHBAIIPNUNHHI-KDOFPFPSSA-N 481.401 2.384 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@](CO)(NC(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2F)C1 2281765602 YSNADHHMDNQSCD-HSZRJFAPSA-N 464.343 2.227 30 10 JEEE Cn1ncc(C(=O)NC[C@]23CC[C@@H]2CN(Cc2ccccc2)C3)c1B1OC(C)(C)C(C)(C)O1 2281808591 QPTMNPHBYRNATL-CLOONOSVSA-N 450.392 2.361 30 10 JEEE CC(C)(C)OC(=O)NC[C@@]12CC[C@@H](CN(C(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)C1)C2 2281923639 IUOVQFYGOPPRCD-CMJOXMDJSA-N 460.384 2.476 30 10 JEEE COc1ccc(C(=O)N[C@H]2COC[C@@H]2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2281937369 YXDULPFUXSXYCG-ROUUACIJSA-N 462.352 2.016 30 10 JEEE Cn1cc(C(=O)N[C@@H]2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)c(B2OC(C)(C)C(C)(C)O2)n1 2281980079 IDRDKTMEUMLGFX-ZMSDIMECSA-N 460.384 2.095 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CCOC[C@H]1CNC(=O)OC(C)(C)C 2282109870 HXHLGOJWXVCIDZ-QGZVFWFLSA-N 463.384 2.173 30 10 JEEE Cc1cc(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)ccc1B1OC(C)(C)C(C)(C)O1 2282114293 YWHFODBOOAMROG-IEBWSBKVSA-N 460.380 2.252 30 10 JEEE CN(CCCNC(=O)OC(C)(C)C)CCCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2282199922 IXUXOACRWFQABS-UHFFFAOYSA-N 464.416 2.280 30 10 JEEE CC1(C)OB(c2ccc(S(=O)(=O)NCC3(O)CCN(Cc4ccccc4)CC3)s2)OC1(C)C 2282328714 BRDBMKROBKQHBG-UHFFFAOYSA-N 492.472 2.353 30 10 JEEE C[C@H]1C[C@@H](NC(=O)C(F)(F)F)CN(S(=O)(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2282348069 GXLMDPVEQIIVJZ-UONOGXRCSA-N 476.326 2.063 30 10 JEEE CC(C)(C)OC(=O)N1CC(O)(CCNC(=O)c2cccc(F)c2B2OC(C)(C)C(C)(C)O2)C1 2282406549 LPJGWYRZZWWDDR-UHFFFAOYSA-N 464.343 2.227 30 10 JEEE C=C(CS(=O)(=O)N1CC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1)B1OC(C)(C)C(C)(C)O1 2282504043 JCPGNIKQAIRUFW-GOSISDBHSA-N 485.456 2.131 30 10 JEEE C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1N(C)C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2282567965 VNNZCRMDRFWJOA-DOTOQJQBSA-N 462.400 2.437 30 10 JEEE Cn1ncc(C(=O)NC[C@@H]2CCN(C(=O)OC(C)(C)C)C23CC3)c1B1OC(C)(C)C(C)(C)O1 2282568709 GXCOCIADKFWIPV-HNNXBMFYSA-N 460.384 2.239 30 10 JEEE Cc1c(C(=O)N2[C@H](C)CN(C(=O)OC(C)(C)C)C[C@H]2C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282592455 CXKRCLZICJZRSV-HUUCEWRRSA-N 462.400 2.498 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C[C@H]1C(F)F 2282623722 HSUXFCSVNZXSME-KGLIPLIRSA-N 468.310 2.006 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1CO 2282658261 VHPSNWMPSCHQPK-APWZRJJASA-N 460.380 2.334 30 10 JEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H]1C[C@H](OCc2ccccc2)C1(C)C 2282865541 VSKBSEFBGBUIPZ-MSOLQXFVSA-N 475.420 2.382 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](NS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)[C@@H]2C[C@@H]21 2282868813 SRVSQYFSKDJDOS-BZSNNMDCSA-N 479.408 2.057 30 10 JEEE CC(C)(C)OC(=O)Nc1cncc(CNC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)c1 2283058838 ZMTDNHBWHXVDRJ-UHFFFAOYSA-N 455.324 2.448 30 10 JEEE CC(C)(C)OC(=O)N1CC(=O)NC[C@H]1C(=O)Nc1ccc(Cl)cc1B1OC(C)(C)C(C)(C)O1 2283985511 JWSFJNSDJNTILT-INIZCTEOSA-N 479.770 2.313 30 10 JEEE COC[C@H](ONC(=O)OC(C)(C)C)C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)c(C)c1 2289463313 JQALNARESIQUJL-SFHVURJKSA-N 464.368 2.382 30 10 JEEE CC1(C)C[C@@H]1[C@](N)(C#N)Cn1cnc(I)c1I 2302248389 ATUITWBXPBTAEM-CPCISQLKSA-N 456.069 2.359 30 10 JEEE CN[C@](C#N)(Cn1cnc(I)c1I)[C@@H]1C[C@H]1C 2307809892 WJJOMHFJFHJLCF-SOCHQFKDSA-N 456.069 2.230 30 10 JEEE C=CCN(CC=C)c1nc(NC(=O)C=Cc2ccc(OC)c(OC)c2)n([C@H]2CCS(=O)(=O)C2)n1 2331675577 ATUPWKMWDQGNQW-SFHVURJKSA-N 487.582 2.485 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCCC(C)(C)NC(=O)OC(C)(C)C)n1C 2337327753 JAFKUYSVFFULHR-UHFFFAOYSA-N 450.389 2.451 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@H](C(=O)N3CC[C@@H](B4OC(C)(C)C(C)(C)O4)C3)O[C@H]2C1 2342470064 JXRMHHRKXJRRPM-LTIDMASMSA-N 452.357 2.084 30 10 JEEE Cn1cc(C(=O)N[C@H]2C[C@@H]3C[C@H]2C[C@@H]3NC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2359277929 HEEDOEIUMLLYBE-VGWMRTNUSA-N 460.384 2.141 30 10 JEEE CN(C)c1ccc(C/N=C(\O)CN2C(=O)COc3ccc(S(=O)(=O)N4CCCC4)cc32)cc1 9116829 CYQSIKNYTUMMFG-UHFFFAOYSA-N 472.567 2.419 30 10 JEEE COCCN/C(=N\C(=S)Nc1cc(C(=O)OC)cc(C(=O)OC)c1)Nc1nc(C)cc(C)n1 14158563 GWQSJIKUFUZMMK-UHFFFAOYSA-N 474.543 2.068 30 10 JEEE N#C[C@H](c1ccccc1)N1CCN(C(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 16150213 LUFURVNHQDIAGW-HSZRJFAPSA-N 452.580 2.496 30 10 JEEE C/C(=N\Nc1nc(SCCC(=O)Nc2ccc(S(N)(=O)=O)cc2)n[nH]1)c1cccs1 20835914 NLSSTTMWSHFMRN-SRZZPIQSSA-N 465.586 2.471 30 10 JEEE C=CCn1c(=NC(=O)c2cccc(S(C)(=O)=O)c2)sc2cc(S(C)(=O)=O)ccc21 254626902 JZOQXSQRSNVGKS-UHFFFAOYSA-N 450.563 2.437 30 10 JEEE CC#CC[C@H](NC(=O)[C@@H](CN(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 757211745 OESJPWCOBGLLMC-XZOQPEGZSA-N 463.534 2.438 30 10 JEEE C#CCN(CC(=O)O)C(=O)[C@@H](CCN(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 757557730 BSEQCBDOVLMUFM-HSZRJFAPSA-N 463.534 2.392 30 10 JEEE C[C@H](OC(=O)CNS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H](C)c1cc2ccccc2o1 853721655 HXNYZKUCZOBQQJ-GJZGRUSLSA-N 455.492 2.392 30 10 JEEE CCOc1ccc(NC(=O)CSc2nnc(NN=Cc3cc(OC)ccc3O)n2N)cc1 1083909586 HONVOUOYXATNGU-UHFFFAOYSA-N 457.516 2.282 30 10 JEEE COc1cccc(CNC(=O)CSc2n[nH]c(NN=Cc3cc([N+](=O)[O-])ccc3O)n2)c1OC 1084531760 CMDMTVOIGMGJHW-UHFFFAOYSA-N 487.498 2.290 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCN1CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1286387605 GQNBYZHRMBLYTJ-WMZOPIPTSA-N 463.007 2.105 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CCCN(C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1286395692 SYHSJZOTYSDHRW-HSZRJFAPSA-N 478.622 2.417 30 10 JEEE C#CCN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CC(=O)N1CCN(c2ccccc2)CC1 1286437022 FCIRXNRBGUDPII-SANMLTNESA-N 480.613 2.127 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)Oc1ccc(Cl)cc1 1286447481 KRKVCPKAKJPWKI-LPHOPBHVSA-N 482.006 2.191 30 10 JEEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2Cc2ncccc2N(C)C)CC1 1286483203 BTILYWISZBCZIG-UHFFFAOYSA-N 459.598 2.336 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C/C=C\CC)CC1 1286486899 IAAHZEMOBWIJPW-FPLPWBNLSA-N 484.626 2.127 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CCN(C)C(=O)OC(C)(C)C)CC1 1286495230 XJSRPERVWLIODW-UHFFFAOYSA-N 481.601 2.097 30 10 JEEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C2CCC2)CC1 1286500821 ZUXQVCOLDHPWTL-UHFFFAOYSA-N 488.683 2.236 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C(=O)COC)CC1 1286551071 GKOCOHQTSTWZHC-WZONZLPQSA-N 485.585 2.239 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2CCC(OC)CC2)CC1 1286663069 FVZDNTSWMRUCFA-MHJFOBGBSA-N 467.636 2.219 30 10 JEEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCCN(C(=O)CCc2ccccc2)CC1 1286791582 WUJGFWRTOUHAFL-UHFFFAOYSA-N 452.603 2.450 30 10 JEEE C=CCOc1ccc(Cn2c(-c3ccc[nH]3)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)cc1 1286795025 VKZYRZWBSUWJNR-KRWDZBQOSA-N 456.572 2.356 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1 1286822190 AFUJBNXFZGSCLO-XMMPIXPASA-N 489.642 2.457 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)C[C@@H](C)C#N)n1CCCc1nc2c(s1)CCCC2 1286959807 HZVHRLHULWRTGY-GJZGRUSLSA-N 465.649 2.452 30 10 JEEE C[C@H]1C[C@@H](C)CN(CCCn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@H](C#N)C2)C1 1291011042 DVPWOUPYDLIYBR-CEXWTWQISA-N 452.563 2.022 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCOC[C@H]1CCOC1 1300298688 GMJNKQDQEYWGDS-QZTJIDSGSA-N 460.604 2.139 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1Cc1nc2cc(OC)ccc2n1C)[C@H]1CCS(=O)(=O)C1 1300485443 WKOJCJWZCYFYBT-SJORKVTESA-N 470.599 2.362 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1Cc1ccc(OC(C)(C)C)nc1)[C@@H]1CCS(=O)(=O)C1 1300500751 CUQNJDCCETXYON-LJQANCHMSA-N 457.600 2.478 30 10 JEEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1C[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1300504697 QSXXGJVFTYBFKB-FUHWJXTLSA-N 464.975 2.174 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccccc3Br)n2C[C@@]2(O)CCO[C@H]2C)CC1 1300692784 MVAGNQKXVZVYBZ-KKSFZXQISA-N 460.376 2.003 30 10 JEEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1300741322 SOFFQYXNAGNIHW-AWEZNQCLSA-N 472.434 2.416 30 10 JEEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(Cc2cscn2)CC1 1300770265 QWRMEPYDYYIWFO-UHFFFAOYSA-N 456.645 2.285 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](CC(C)C)NC(=O)OCC 1300780281 OSNHAVXTFUSCHU-LLGFUMIMSA-N 468.624 2.041 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1300884294 IYYZWHOWYOSNCB-CTNGQTDRSA-N 460.623 2.422 30 10 JEEE C=CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1301434438 RFDFHZDZAINSNS-UHFFFAOYSA-N 495.675 2.031 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CCN(C(=O)OCC)CC1 1301483263 MNAYBSNMAJVTRQ-UHFFFAOYSA-N 463.542 2.382 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1301518693 JFHBMHNDSBCFDB-KRWDZBQOSA-N 493.655 2.285 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccc(Br)n2)C1 1301555299 AXAQOCACIAGHSR-HOCLYGCPSA-N 482.404 2.167 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1301576713 ADOMWPAZVIBIST-HNNXBMFYSA-N 458.510 2.014 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCC(O)(C(F)(F)F)CC1 1301588767 IYPXPWVLDIKDEB-CQSZACIVSA-N 452.499 2.014 30 10 JEEE Cc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)c(O[C@H]2CCOC2)c1 1304348073 ATQXMDXQMNBUKP-XLIONFOSSA-N 488.614 2.153 30 10 JEEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1313491706 IBUQQUMIFDPWIF-LJQANCHMSA-N 451.575 2.332 30 10 JEEE CCNC(=O)C(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1313971755 ACFGYGCRPPXNGU-NRFANRHFSA-N 495.628 2.050 30 10 JEEE COc1cc2c(cc1Cn1c([C@@H]3CCS(=O)(=O)C3)nnc1N(C)C[C@H](C)C#N)O[C@H](C)C2 1315359395 FHYZLTACALQUCN-BZUAXINKSA-N 459.572 2.156 30 10 JEEE C#CCOc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C(=O)OCC)cc3)CC2)cc1 1350012425 ITYIDHWSMFZKRC-UHFFFAOYSA-N 456.520 2.022 30 10 JEEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)Nc2c(C)cccc2C)CC1 1358928137 UDZYFWQCTFZSOE-HXUWFJFHSA-N 463.586 2.020 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1Cc1conc1COC)[C@H]1CCS(=O)(=O)C1 1358957891 CEHAMXUBGOOYTO-SFHVURJKSA-N 475.958 2.408 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1ccc(F)c(COC)c1)[C@H]1CCS(=O)(=O)C1 1358964944 KMMWETFNUHDZPX-NRFANRHFSA-N 483.569 2.224 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1cccc(COC)c1)[C@H]1CCS(=O)(=O)C1 1358965085 NMKZKORGSOQQSV-QFIPXVFZSA-N 465.579 2.085 30 10 JEEE C#CCN(CC#CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@H]1CCOC[C@@H]1OC 1358996546 IVVLINDEJLOZBK-AHWVRZQESA-N 490.652 2.157 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCCN(CC)CC)CC1 1359036202 QDJSLSOMCAPKMD-NRFANRHFSA-N 489.665 2.074 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](C)Oc2ccc(F)cc2)CC1 1359044247 AMSGDEZACMWILI-IEBWSBKVSA-N 455.534 2.354 30 10 JEEE C#CCSCCn1c(N2C[C@@H](O)[C@H](CC(=O)OC)C2)nnc1C1(c2ccccc2)CCC1 1359062694 PWKBSRMRQDUTOJ-UYAOXDASSA-N 454.596 2.475 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)CC[C@H]1C 1359098640 DGFBEKSBWWRQEW-MDMHHNQBSA-N 467.636 2.217 30 10 JEEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(=O)C(C)C)CC1 1359128544 XJUJBADJDWPWSP-UHFFFAOYSA-N 475.615 2.246 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3OC)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1359317924 TUHLJAWDWMEDTQ-MSOLQXFVSA-N 461.588 2.159 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1359334164 VSYSLAVPDLRZET-UHFFFAOYSA-N 473.643 2.473 30 10 JEEE COc1ccc(NC(=O)[C@@H]2CSCN2C(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)cc1 1360002069 GLDBZKNFHNBONY-JXFKEZNVSA-N 450.520 2.460 30 10 JEEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1CCc1nccs1 1360622234 FPSWNFJRLHFVPK-OAHLLOKOSA-N 460.585 2.297 30 10 JEEE C=CCN1CC[C@H](N(C)S(=O)(=O)c2cc(Br)c(C)c(C(=O)OCC)c2)C1=O 1463603688 FFUDKERSQZQMJY-INIZCTEOSA-N 459.362 2.342 30 10 JEEE C#CCN(C[C@@H](O)Cn1c(-c2ccccc2)noc1=O)C1CCN(C(=O)OC(C)(C)C)CC1 1473796103 CMASRVSLPRMQEW-HXUWFJFHSA-N 456.543 2.199 30 10 JEEE CN(C)[C@]1(Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CCO[C@H](C#N)C2)CCSC1 1503385117 BXWATRPAJNCKOT-GCJKJVERSA-N 490.033 2.028 30 10 JEEE C#CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)CC[C@@H]2C1 1507566941 JLTPETVZZVZGAR-MOPGFXCFSA-N 472.590 2.201 30 10 JEEE C#CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCS(=O)(=O)CC1CC1 1507618939 DZFKOWSVSCFYBI-KRWDZBQOSA-N 451.593 2.244 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Cl)n1C[C@H]1CCCN(C(C)=O)C1)[C@H]1CCS(=O)(=O)C1 1507628746 IDSFPNTWOJXGBM-OALUTQOASA-N 490.029 2.484 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1ccc(OC)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1507634718 LRKVPYQOAFFSBX-LJQANCHMSA-N 469.542 2.087 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC2CCCC2)nnc1N1CCCN(S(C)(=O)=O)CC1 1507804812 IAXUTFLBROECPD-FPOVZHCZSA-N 451.637 2.464 30 10 JEEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@H]21 1507844194 DSYUSDCQHHDPMQ-HAGHYFMRSA-N 467.636 2.219 30 10 JEEE C=C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCOCCS(C)(=O)=O)CC1 1507878405 WQFPNLNEPYCUET-UHFFFAOYSA-N 458.382 2.253 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C)no1 1508003050 RLTDAOHGTVMMRZ-HXUWFJFHSA-N 472.571 2.148 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(N2CCCCC2=O)CC1 1508071914 GBJCYJWMOBOLTN-UHFFFAOYSA-N 490.406 2.319 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN2CCOC[C@@H]2C1 1508075011 UFOZDGYOBQAFHL-HNNXBMFYSA-N 451.358 2.075 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCOCC1 1508135605 KATVOVHHAUVWAZ-UHFFFAOYSA-N 471.377 2.154 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccccc1C(F)(F)F 1508139747 JFKYMGMQVYDHLT-MRXNPFEDSA-N 471.505 2.485 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2CC)nnc1N1CCO[C@@]2(CCOC2)C1 1508148455 HSXQBYIKAUTCSL-QHCPKHFHSA-N 476.599 2.016 30 10 JEEE N#CCC1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1521143108 DGORRNAQFDAVRQ-HXUWFJFHSA-N 467.954 2.417 30 10 JEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](OCCC)CC1 1539072329 PKJLXXXHWRUYPW-WOJBJXKFSA-N 467.636 2.200 30 10 JEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1cccc(C(=O)NC)c1 1539179566 PXPFWGMMBNZGGA-FQEVSTJZSA-N 482.585 2.258 30 10 JEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CC(C)(C)c1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1539201292 ZTMXAVUFRHAEIY-HXUWFJFHSA-N 487.601 2.258 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(F)cc2Br)n1CCOCCS(C)(=O)=O 1539306276 FOKLSJVGZMCMPR-UHFFFAOYSA-N 497.390 2.371 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C 1539423464 ZNNDQZIUBCXBCS-UFYCRDLUSA-N 477.606 2.488 30 10 JEEE C#CCN1CCN(c2nnc(CSc3ccccc3OC)n2CCNC(=O)C(C)C)CC1 1539462372 DYOKHQDZUFBVMK-UHFFFAOYSA-N 456.616 2.106 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2Cc2ccc(CS(C)(=O)=O)cc2)CC1 1539468937 KHFZWGSNJPBLEZ-SFHVURJKSA-N 471.627 2.350 30 10 JEEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCN1CCCCC1=O 1540053502 HFWFWBDPGQEXGM-UHFFFAOYSA-N 460.604 2.220 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)Nc2ccccn2)n1Cc1nncn1C 1540122093 ZDVBPHGBDRWHJW-UHFFFAOYSA-N 454.498 2.166 30 10 JEEE C=CCn1c(-c2ccccc2F)nnc1N1C[C@@H]2[C@@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1540856590 NFTMAJNVBAXSNK-NJAFHUGGSA-N 477.562 2.397 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC(=O)N(C)C2CCCCC2)C1 1540882378 HNZMGAUQCVQKBO-IBGZPJMESA-N 467.574 2.498 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@@](C)(O)CCC(C)C)c1 1587692212 AFLMVOJGHNHZMQ-NLFFAJNJSA-N 466.586 2.473 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1588030330 SMQFXJOIRRASPB-ILZDJORESA-N 462.547 2.363 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCS(=O)(=O)CC 1588379154 ZTGKBRHMDSCRTO-KRWDZBQOSA-N 453.609 2.287 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H](c2ccccc2)N(C)C)CC1 1588733379 RDWWGOCAGFXPAJ-JOCHJYFZSA-N 451.619 2.255 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccn2C)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1589513924 CPXPVDLTFNCFIE-XLIONFOSSA-N 462.620 2.125 30 10 JEEE C=C1CCN(c2nnc(CSc3ccccc3OC)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1594134015 IPOTUWDONIMXIC-NRFANRHFSA-N 464.613 2.285 30 10 JEEE C=CCC(C)(C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1594504599 YHYPXNDYFHGJAH-GOSISDBHSA-N 456.978 2.272 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCC(Nc2cccnn2)CC1 1595593388 CHUSWQWGFXDPHJ-UHFFFAOYSA-N 466.521 2.169 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc3ccccc3o2)nnc1N1CCC[C@H](C(=O)NC)C1 1595766526 RITHAPJLHWUITR-KRWDZBQOSA-N 457.556 2.255 30 10 JEEE C=CCn1c(S)nc2cc(C(=O)N3CCC[C@@](O)(C4(C(=O)OC)CCC4)C3)ccc2c1=O 1597952073 SBAQASSUNFPJGS-QHCPKHFHSA-N 457.552 2.182 30 10 JEEE Cc1nc(N2CCOCC2)sc1-c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCNC(=O)C(C)C 1611847633 ATGHAEJNJIVGNQ-QHCPKHFHSA-N 486.646 2.449 30 10 JEEE CSCc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)cc1 1620246730 FUAFHXDJGPLDHW-IFXJQAMLSA-N 452.581 2.242 30 10 JEEE C#CCN(C(=O)NCc1ccc(Oc2c(OC)cccc2OC)nc1)[C@@H]1CCS(=O)(=O)C1 1675411589 RKQVVRIHOLZEFC-QGZVFWFLSA-N 459.524 2.223 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(c2ccccc2)CC1 1689930556 UTMQLKRHLSOERT-OAQYLSRUSA-N 457.600 2.408 30 10 JEEE C#CCN(CCOC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1Cc1nnc2n1CCC2 1690102894 XCUMUYUQDXPNPW-UHFFFAOYSA-N 484.605 2.065 30 10 JEEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(O)(C(F)(F)F)CC1 1690170801 QSACZYIZLIMVSW-UHFFFAOYSA-N 492.527 2.452 30 10 JEEE C#CCSCCn1c(N2CCC[C@H](S(C)(=O)=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1690186010 KAOMQLOBHJDUSF-KSZLIROESA-N 497.687 2.429 30 10 JEEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1690294405 BTFJEXQUWYUMGX-CYBMUJFWSA-N 456.494 2.351 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCN(c2nc(C)cc(OCC)n2)CC1 1690666767 GAIRMZGGUCUDSS-UHFFFAOYSA-N 462.558 2.071 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCN2CCCC2)C1 1690700424 SAYYEHHTPVNILF-VQTJNVASSA-N 476.622 2.464 30 10 JEEE COc1cc(Cl)ccc1-c1nnc(N2CCC(CC#N)CC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1697283010 GXHJXDZIFADCCL-NRFANRHFSA-N 479.990 2.287 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccnc1OCC(F)(F)F 1705495306 OCMXUJDGYVVDIT-UKRRQHHQSA-N 457.478 2.023 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H](C)Oc1ccccc1)[C@H]1CCS(=O)(=O)C1 1705563881 HKKPQJPLOLEIFZ-QUCCMNQESA-N 451.552 2.434 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@H]1CSCCS1)[C@H]1CCS(=O)(=O)C1 1705570329 OVKIMMXAGRCHCV-IRXDYDNUSA-N 483.710 2.109 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2Cc2csc(COC)n2)CC1 1705642798 HNPUYUIIOYVDTQ-UHFFFAOYSA-N 456.547 2.403 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2C[C@H]2CN(CC(C)C)CCO2)CC1 1705649121 KXSRQUCTFZNCIG-JOCHJYFZSA-N 494.640 2.276 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2Cc2ncccc2N(C)C)CC1 1705651230 OMMRJCAOKCBTRB-UHFFFAOYSA-N 491.571 2.471 30 10 JEEE C=CCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1705787461 TVJXUPZCGNLJIH-QUCCMNQESA-N 459.639 2.007 30 10 JEEE Cc1ccc(-c2nc(Cn3c([C@@H]4CN(S(C)(=O)=O)CCO4)nnc3N(C)C[C@H](C)C#N)co2)cc1 1707340225 BDLXMPDFGONYJS-XLIONFOSSA-N 499.597 2.219 30 10 JEEE CCn1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)cn1 1710188479 GYAONDLKYZAGAR-FQEVSTJZSA-N 469.571 2.007 30 10 JEEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](Cn2cccn2)C1 1722333244 UGKYWBUNZGDGML-UXHICEINSA-N 485.589 2.102 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@](C)(O)c1cc(C)oc1C)[C@H]1CCS(=O)(=O)C1 1722359941 BLQNXUGJNBQOTE-CYFREDJKSA-N 483.594 2.393 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1ccc(OCCC)nc1)[C@@H]1CCS(=O)(=O)C1 1722360116 DAZXRGPPWPMQMJ-LJQANCHMSA-N 466.567 2.199 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCc1nc(C(C)(C)C)cs1)[C@@H]1CCS(=O)(=O)C1 1722361429 NBCYBOHXQMMMLX-QGZVFWFLSA-N 487.655 2.302 30 10 JEEE C#CCN(c1nnc(CC2CCCC2)n1CCNC(=O)c1cccs1)[C@H]1CCS(=O)(=O)C1 1722371993 NQRGBJXIJMDOCN-SFHVURJKSA-N 475.640 2.129 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(C#N)c2)n1CCNS(=O)(=O)c1ccc(C)s1 1722379229 YGZAYSPQKVNCLU-UHFFFAOYSA-N 464.576 2.238 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCOCc2ccccc2)CC1 1722448643 WTCKSGGCFDVFFS-JOCHJYFZSA-N 451.571 2.355 30 10 JEEE C=CCCCn1c(-c2cccn2C)nnc1N1C[C@@H]2[C@@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1722613794 PZDJKLFRHNDTPF-AOIWGVFYSA-N 490.630 2.376 30 10 JEEE C=CCCOCCn1c(N2CCOC3(CCOCC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1722626445 DURWVNXTYWBAFE-HSZRJFAPSA-N 450.580 2.297 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2Cc2cnccc2OC)c1 1740561648 AFYYDSTUMUCVJJ-UHFFFAOYSA-N 454.494 2.243 30 10 JEEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@H]1CC(F)(F)CO1)[C@@H]1CCS(=O)(=O)C1 1740619961 BAJOTXOALQHJSV-HUUCEWRRSA-N 454.474 2.135 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H](c1c(F)cccc1F)N(C)C)[C@H]1CCS(=O)(=O)C1 1740621776 PADFGTWJOBFBLX-OXJNMPFZSA-N 488.564 2.481 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(OCC(F)(F)F)cc2)CC1 1740689271 UFOSESAUBHHXGM-UHFFFAOYSA-N 476.503 2.259 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc(C[S@@](C)=O)cc2)CC1 1740692278 ICAAOMSJYIUWBZ-WNSROMTISA-N 485.654 2.001 30 10 JEEE C#CCN1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(NC(=O)NC(C)C)cc2)CC1 1740695482 SNQWHBDTOIEOPZ-UHFFFAOYSA-N 459.558 2.069 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCn2cc(Cl)cn2)CC1 1740699371 CZRPPYOHUZTQGP-UHFFFAOYSA-N 450.934 2.034 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCCC(=O)N(C)C)CC1 1740708347 MGRCZMNNQXICLT-UHFFFAOYSA-N 480.613 2.308 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1740750170 NHOVSBSLRNEERK-FHWLQOOXSA-N 460.579 2.210 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)CCC1CCOCC1 1740752649 YVVHIIVYZKDBJX-QRQLOZEOSA-N 455.625 2.122 30 10 JEEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)CCc1cnccn1 1740960023 JDVSKYIDQNZMHX-UHFFFAOYSA-N 484.605 2.164 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@H](OC)C1 1740989101 ZYFZPHFWUMWADM-KRWDZBQOSA-N 450.561 2.178 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCN([C@H](C)c2nc(CC)no2)CC1 1740989451 NFGOAEDUCQLODW-GOSISDBHSA-N 485.614 2.375 30 10 JEEE CC(C)NC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCSC2)CC1 1741705278 AAMWLWONWUHWEL-HXUWFJFHSA-N 483.642 2.128 30 10 JEEE CCO[C@]1(c2nnc(N3CCCN(c4ccccc4C#N)CC3)n2CCNC(=O)C(C)C)CCOC1 1746724424 GQVDDMANDRGBDG-AREMUKBSSA-N 495.628 2.291 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCNC(=O)c1cccc(OC)c1 1748665061 MWRUBAQSCYYSOR-QGZVFWFLSA-N 495.609 2.135 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCO[C@@H]1CCCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1748817412 KJTMIPXPNSFUHE-MXEMCNAFSA-N 464.632 2.394 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCN1CCN(C)C(C)(C)C1 1748888938 BPYYLRSBEJEHOI-UHFFFAOYSA-N 462.598 2.205 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(Br)cc3)n2CCCc2cnn(C)n2)CC1 1748998839 BOFVUWABXPJCSM-UHFFFAOYSA-N 499.417 2.136 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CCc2ccc3c(c2)OCCO3)CC1 1749015162 UNDXFBTWNPOBDG-UHFFFAOYSA-N 451.571 2.456 30 10 JEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 1749033509 HKZOFYABLJLPFF-SFHVURJKSA-N 473.002 2.098 30 10 JEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccc(C)cc2)CC1 1749427348 PWTCMTAKTCCOAD-NRFANRHFSA-N 474.631 2.212 30 10 JEEE C=CCN(CC=C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H](N1CCOCC1)C(F)(F)F 1749565958 UETSXUYXZVSQGF-IBGZPJMESA-N 489.506 2.362 30 10 JEEE C=CCn1c(COc2ccccc2OCC)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1749642570 RDSUMVXCXJNYAP-HSZRJFAPSA-N 454.531 2.256 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(C(F)(F)F)CC1 1749655107 CWNKFACECQNOQJ-UHFFFAOYSA-N 471.505 2.430 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1749655739 QQADFCPLJULFQB-OAQYLSRUSA-N 481.557 2.059 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC(C(=O)Nc3ccccc3)CC2)nnc1[C@]1(OCC)CCOC1 1749682212 PLVPEUUKHVYBOV-VWLOTQADSA-N 482.585 2.088 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN([C@@H](C)c2nccs2)CC1 1749732495 XJPSCUADPGACFU-ZWKOTPCHSA-N 480.660 2.113 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCN1CCSCC1 1750075552 FXKBKHGNOWZPNC-SFHVURJKSA-N 455.636 2.097 30 10 JEEE CC(C)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1750673019 ADIXSIFIEZSMPN-QHCPKHFHSA-N 473.599 2.151 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2C[C@@]2(OC)CCOC2)c1 1760127639 HBTZLDATNRCJRO-VWLOTQADSA-N 460.538 2.126 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1Cc1cccn(CC)c1=O)[C@@H]1CCS(=O)(=O)C1 1760182040 AXLFGQOYXLLSEY-JOCHJYFZSA-N 479.606 2.364 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CC[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1760186845 REPBMLNPTRHVOU-IRXDYDNUSA-N 464.538 2.200 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc(NC(C)=O)cc1 1760288704 IPTLABAFVURNES-OPAMFIHVSA-N 458.588 2.082 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCNC(=O)CC1 1760516761 UYHBDNIYJSGMGB-MRXNPFEDSA-N 460.966 2.317 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1760548306 CRUKSXMNIGMFHG-OFNKIYASSA-N 492.667 2.436 30 10 JEEE CC[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCCN(c2ccccc2C#N)CC1)OC 1764274261 CHEVPJWXOIODAY-FQEVSTJZSA-N 451.575 2.414 30 10 JEEE CS(=O)(=O)N1CC[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(CCCO)CC2)C1 1770342377 BWIGZFFAZMGZPX-HXUWFJFHSA-N 472.615 2.087 30 10 JEEE COc1ccc(/C=C2/SC(=S)N(CC(=O)c3c(C)c(C#N)c(=O)n(C)c3O)C2=O)cc1 1772743142 UHMSLKPTFMUUNH-LZYBPNLTSA-N 455.517 2.364 30 10 JEEE COc1cc(OC)cc(-n2cc(/C=N\NC(N)=S)c(-c3ccc4c(c3)CC(=O)N4C)n2)c1 1857807514 MRNIFVJKCVDXPZ-MYKKPKGFSA-N 450.524 2.243 30 10 JEEE C=CCNC(=O)NS(=O)(=O)c1ccc(CCNC(=O)CCc2ccc(OC)c(OC)c2)cc1 1858973925 NQDNQQZMWIGWLT-UHFFFAOYSA-N 475.567 2.169 30 10 JEEE C=CCN(CC=C)c1nc(NC(=O)CCc2cccc(OC)c2)n([C@@H]2CCS(=O)(=O)C2)n1 1870004836 NGZGSAWAMRKMQD-GOSISDBHSA-N 459.572 2.396 30 10 JEEE COc1ccc(-n2nnc(C#N)c2NC(=O)CCCN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)c(C)c1 1870155359 JCBMVXCUAHEDEA-UHFFFAOYSA-N 489.448 2.379 30 10 JEEE COC(=O)c1cccc2c1c(/C=N/n1c(SCC(=O)NC3CCCC3)nnc(C)c1=O)cn2C 1873495570 VVDQIMUVEBQMCC-BHGWPJFGSA-N 482.566 2.258 30 10 JEEE C[C@H](C(=O)O)N1C(=O)c2ccc(C(=O)Nc3c(C#N)cnn3-c3cc(F)cc(F)c3)cc2C1=O 1873684956 SDGIQUIZUVEEIR-SNVBAGLBSA-N 465.372 2.344 30 10 JEEE C=CCOc1ccccc1OCc1nnc2sc(CCNC(=O)c3cnc(C)cn3)nn12 1874787214 HUXJVHAQBCSSRH-UHFFFAOYSA-N 451.512 2.401 30 10 JEEE COCC#CCS(=O)(=O)CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1990708753 XLBSFWJFSILPRQ-QFIPXVFZSA-N 471.531 2.433 30 10 JEEE CC1(C)OB(c2c[nH]nc2C(=O)N2CC3(CC(NC(=O)OCc4ccccc4)C3)C2)OC1(C)C 2255631942 GPXQEVWBQBTIGO-UHFFFAOYSA-N 466.347 2.240 30 10 JEEE C=C(CS(=O)(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1OC)B1OC(C)(C)C(C)(C)O1 2255795922 ZJSZDIQIEANLGX-HOTGVXAUSA-N 460.402 2.118 30 10 JEEE CC(C)(C)OC(=O)N1[C@H]2C[C@H]1CN(S(=O)(=O)c1ccc(B3OC(C)(C)C(C)(C)O3)s1)C2 2255942137 MGYBMBFIMOKQDK-KBPBESRZSA-N 470.422 2.430 30 10 JEEE CC(C)(C)OC(=O)NC/C=C\CNS(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2256451409 KEGBXYKTHJVPRV-HJWRWDBZSA-N 452.382 2.345 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]1C(=O)NCc1sccc1B1OC(C)(C)C(C)(C)O1 2256621737 YNCRPFCMBOBJMO-ZBFHGGJFSA-N 452.382 2.346 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)CC[C@@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2256678048 KHNQJCPXOBMYHZ-QWHCGFSZSA-N 453.370 2.141 30 10 JEEE CN(Cc1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(=O)[C@H](CCO)NC(=O)OC(C)(C)C 2256682269 XEQOOCHGSJMANF-INIZCTEOSA-N 454.398 2.281 30 10 JEEE CC1(C)OB(c2ccc(S(=O)(=O)N3CC4(CN(Cc5ccccc5)C4)C3)cc2)OC1(C)C 2267371171 WOGPAEVLDDEUQU-UHFFFAOYSA-N 454.401 2.492 30 10 JEEE Cn1nc(C(=O)N[C@]23C[C@H]2CN(Cc2ccccc2)C3)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2267502994 WJYMTLMYDQIADB-HJPURHCSSA-N 456.783 2.377 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H]1C(=O)Nc1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2268632323 IXNJFJDBVTXAIN-WMLDXEAASA-N 450.316 2.434 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2268645101 SUYRIXJLVIHCFG-RHSMWYFYSA-N 450.316 2.434 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2COC[C@]2(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C1 2268678864 ANWSUJJJAKRGPU-LRTDBIEQSA-N 465.381 2.264 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CC(C(=O)NCc2ccc(B3OC(C)(C)C(C)(C)O3)s2)=C[C@@H]1O 2268716364 UKQRIPJRBNNDAA-HOTGVXAUSA-N 464.393 2.248 30 10 JEEE COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1NC(=O)[C@H](CCO)NC(=O)OC(C)(C)C 2268721776 PYFLPQCIRUILFU-INIZCTEOSA-N 450.341 2.209 30 10 JEEE Cn1ncc(C(=O)NC[C@@]23CC[C@@H]2CN(Cc2ccccc2)C3)c1B1OC(C)(C)C(C)(C)O1 2281808595 QPTMNPHBYRNATL-KBMIEXCESA-N 450.392 2.361 30 10 JEEE COc1cc(C(=O)NC2(CNC(=O)OC(C)(C)C)COC2)ccc1B1OC(C)(C)C(C)(C)O1 2281980968 XCMTZVNATVSHSP-UHFFFAOYSA-N 462.352 2.018 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2282005249 ORFHVEPVECRALD-HRCADAONSA-N 460.384 2.013 30 10 JEEE CC(C)(C)OC(=O)NC1CCN(CCNC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)CC1 2282029727 WIYOYWMGPXDKMN-UHFFFAOYSA-N 480.440 2.161 30 10 JEEE Cn1cc(C(=O)N[C@H]2CCCC23CN(C(=O)OC(C)(C)C)C3)nc1B1OC(C)(C)C(C)(C)O1 2282043484 NULAXMQOIKNBOG-INIZCTEOSA-N 460.384 2.239 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2F)CCO1 2282324422 OXMHEFKPFCBKKB-OAHLLOKOSA-N 486.371 2.344 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@@H]1CNC(=O)c1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2282476469 BROHSMHEBWFJDZ-INIZCTEOSA-N 464.343 2.491 30 10 JEEE Cn1nc(C(=O)N2CC([C@H]3CCN(C(=O)OC(C)(C)C)C3)C2)cc1B1OC(C)(C)C(C)(C)O1 2282615286 XUDFDYLKWWJEOH-HNNXBMFYSA-N 460.384 2.048 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)c3csc(B4OC(C)(C)C(C)(C)O4)c3)C[C@H]2[C@@H]1CO 2282630649 LLYVMIBAOREQKU-BBWFWOEESA-N 478.420 2.347 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CN(c3ncc(B4OC(C)(C)C(C)(C)O4)cc3F)C[C@@H]2[C@@H]1CO 2284350128 IQZBTJUWRLBFNQ-ZVZYQTTQSA-N 463.359 2.184 30 10 JEEE CN[C@H](C#Cc1cccc(Br)c1)[C@@]1(NC(=O)OC(C)(C)C)CCS(=O)(=O)C1 2296220520 YVROELDZESVXIR-VQIMIIECSA-N 457.390 2.471 30 10 JEEE COC(=O)c1[nH]c(C)c(C(O)=C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(C)o2)c1C 2296923836 BMCOOMNDETWFBF-OAQYLSRUSA-N 485.537 2.464 30 10 JEEE CC(=O)Nc1ccc(S(=O)(=O)N=C2C(=O)c3ccccc3C(O)=C2N2CCN(C)CC2)cc1 2297747963 QLZMHCOYHLZLCR-UHFFFAOYSA-N 468.535 2.145 30 10 JEEE COC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1N=Cc1cc(OC)c(OC)cc1OC 2329035034 AXLFXGVWSWGUPG-OAHLLOKOSA-N 491.570 2.176 30 10 JEEE Cn1cc(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 2359278112 WTSWSUJYVVZUDW-NXNVCVFFSA-N 460.384 2.141 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@]2(C(=O)Nc3cccc(B4OC(C)(C)C(C)(C)O4)n3)CO[C@H]1C2 2359391140 JSPBEZZSSMGNJF-XAPDGSRCSA-N 459.352 2.392 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H](CNC(=O)OC(C)(C)C)C(F)(F)F)n1C 2362341137 RDNFVUUYYDRWQU-GFCCVEGCSA-N 476.305 2.213 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(CC1CC1)C1CN(C(=O)OC(C)(C)C)C1 2362357292 XWIORMBGCFSANU-UHFFFAOYSA-N 460.384 2.191 30 10 JEEE COCC1(CN=c2ccc(B3OC(C)(C)C(C)(C)O3)c(OC)[nH]2)CN(C(=O)OC(C)(C)C)C1 2365348272 OEBKIWSKRPJWBI-UHFFFAOYSA-N 463.384 2.107 30 10 JEEE NC(=O)CSc1nnc(NC(=O)CSc2n[nH]c(N/N=C/c3ccc(Cl)cc3)n2)s1 20833565 MOYFJYDCZJHDAL-BLLMUTORSA-N 483.992 2.064 30 10 JEEE COCCSc1nnc(NC(=O)CSc2n[nH]c(N/N=C/c3cccc(OC)c3O)n2)s1 21079780 JGLLTVXMVBQOQM-QGMBQPNBSA-N 496.600 2.286 30 10 JEEE COc1ccc(/C=N/Nc2nnc(SCC(=O)Nc3ccc(C(C)=O)cc3)n2N)cc1O 21316831 KDDPMHKNLMFTDO-LSHDLFTRSA-N 455.500 2.086 30 10 JEEE CCCn1c(N2CCOCC2)c(/C=C2/SC(=S)N(CCCC(=O)O)C2=O)c(C)c(C#N)c1=O 39769710 FERGDMVHNQOAIE-SFQUDFHCSA-N 490.607 2.341 30 10 JEEE CC1(C)Cc2cccc(OCC#CCNC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)c2O1 90733344 AOAFINLTKPSIDU-UHFFFAOYSA-N 484.574 2.233 30 10 JEEE BrC(/C=C/c1ccccc1)=NNc1nc(N2CCOCC2)nc(N2CCOCC2)n1 252625153 QEJRAQJWLWLEOF-ZMYGXAHFSA-N 474.363 2.379 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)N3CCN([C@@H](C)C(=O)Nc4cccc(F)c4)CC3)cc2C1=O 510178929 AIAZUENZUKUDEF-INIZCTEOSA-N 464.497 2.393 30 10 JEEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(Br)cc2C(F)(F)F)CC1 614603811 PTBLFFWWDDRZRI-UHFFFAOYSA-N 470.311 2.076 30 10 JEEE C#Cc1cccc(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3cc(OC)c4c(c3)OCO4)c2=O)c1 726580770 XSMULFZEVICWKB-UHFFFAOYSA-N 484.533 2.490 30 10 JEEE C=CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCNC(=O)[C@@H]1CC(=O)O 757248826 KYXLYWZQYNPNFR-YADHBBJMSA-N 477.517 2.272 30 10 JEEE C#CCCCn1c(CCOc2ccccc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1286355697 XBZRACAZWXETAF-UHFFFAOYSA-N 450.587 2.057 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCc1n[nH]c(C)n1)[C@H]1CCS(=O)(=O)C1 1286383671 DOUHMKMNHVBZQM-QUCCMNQESA-N 497.625 2.331 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1CC[C@H](C)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1286386632 FBFSLOAQXGUGCB-VQTJNVASSA-N 458.632 2.175 30 10 JEEE C#CCN(c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H](OC)[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1286389745 PSZFIKZTZWRWNW-ZWOKBUDYSA-N 498.609 2.282 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CCCN2C[C@H](C)O[C@H](C)C2)CC1 1286492756 AAMPZTACYHHTQY-KDURUIRLSA-N 499.685 2.099 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1286568113 XPGWXQXLRQWIMF-UEXGIBASSA-N 460.579 2.097 30 10 JEEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1286779847 LBGPMPOXMOBYEG-FYYLOGMGSA-N 493.656 2.255 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1286783645 XSPMBCYIBXPBGX-JKSUJKDBSA-N 492.983 2.407 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CCC[C@H]1c1nncn1C 1286791840 DYROCXTWBODEIW-SFHVURJKSA-N 450.547 2.192 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCOC(C)(C)C1 1286817437 VINYNEWEDMBOAC-UHFFFAOYSA-N 450.561 2.178 30 10 JEEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCO[C@@H]2C)CCN1CC(F)(F)F 1291223463 HLPRHLCHIMNIQC-ZOCZFRKYSA-N 464.492 2.429 30 10 JEEE CCN1CCN([C@H]2CCN(c3nnc(-c4cccc(C#N)c4)n3CCS(=O)(=O)C(C)(C)C)C2)CC1 1296178570 AHRTVJXEFIXGRT-QFIPXVFZSA-N 499.685 2.246 30 10 JEEE CN(C)S(=O)(=O)c1ccccc1Cn1c(-c2cccn2C)nnc1N1CC[C@](F)(C#N)C1 1298096449 ADXJUCBCLDFBGM-NRFANRHFSA-N 457.535 2.024 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2C[C@@H]2CCCS(=O)(=O)C2)c1 1300333922 GFPYYRDPXNGCGV-VQTJNVASSA-N 485.610 2.053 30 10 JEEE C#CCN(C)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1300430141 IANBAJYJNJKGRA-QZTJIDSGSA-N 461.588 2.168 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1CCc1ccccn1)[C@H]1CCS(=O)(=O)C1 1300489608 QCFZJZIZGGKRMA-FQEVSTJZSA-N 481.578 2.227 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H]1CCCCN1CCC)[C@@H]1CCS(=O)(=O)C1 1300500772 DAISTKALOHDGCS-FCHUYYIVSA-N 470.643 2.155 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@]1(C)CCCS1)[C@H]1CCS(=O)(=O)C1 1300502440 UQIWJCNBLONVRG-GHTZIAJQSA-N 462.645 2.052 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1(O)CCOCC1 1300595805 QUEHXIPFJFDBIB-IBGZPJMESA-N 457.575 2.355 30 10 JEEE C=CC1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC(C)(C)C(=O)NC)CC1 1301111792 FLNZCPITVKBRRO-UHFFFAOYSA-N 474.631 2.370 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1301151304 LSBIAUIBDHSCEG-GOSISDBHSA-N 457.579 2.441 30 10 JEEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC(C)=C(C)C1 1301481376 KYHFBSJQUIBSIR-UHFFFAOYSA-N 457.604 2.395 30 10 JEEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CCN2[C@@H](C)CC[C@@H]2C)CC1 1301609658 MPXLWKNSDISYIH-UFYCRDLUSA-N 461.680 2.143 30 10 JEEE CNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1314933782 HXTVAVWDRCNWNF-KRWDZBQOSA-N 451.575 2.282 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CCc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1358957486 VETFDTJSWNUYQV-QPPBQGQZSA-N 472.611 2.108 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1cc(C)no1)[C@@H]1CCS(=O)(=O)C1 1358967348 IYFFUSIFFBEUGX-BHIYHBOVSA-N 461.588 2.168 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H](C)N2CCc3ccccc32)CC1 1359028501 UXFFSDLGWPSRCF-HXUWFJFHSA-N 463.630 2.403 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H](C)c2c(C)noc2C)CC1 1359029811 ICTRLZKWWHPIBM-HOYKHHGWSA-N 456.591 2.482 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2[C@H]2C[C@H](c3ccccc3C)C2)CC1 1359030547 YHNWXVYIMAIWBN-UFYCRDLUSA-N 456.616 2.071 30 10 JEEE C#CCN1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(N3CCN(CC)CC3)nc2)CC1 1359036030 KVYKWSNVNSISIX-UHFFFAOYSA-N 464.662 2.207 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccccc2OCC(C)C)CC1 1359036390 VNUCKHYTNALFAM-OAQYLSRUSA-N 471.627 2.019 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C)n2C[C@@H]2CC3(CC3)CN2C(=O)OC(C)(C)C)CC1 1359040887 IURPGJAMHCAJBX-IBGZPJMESA-N 456.591 2.342 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2Cc2csc([C@H](C)OC)n2)CC1 1359046145 GRCSJEYUZFVTHR-KRWDZBQOSA-N 479.610 2.442 30 10 JEEE C=C(C)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1359117997 IECNCVNFSGFMFA-GOSISDBHSA-N 459.620 2.427 30 10 JEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cc3c(cc2OC)C[C@@H](C)O3)CC1 1359159119 NRNAMFNVIRDKCM-CVEARBPZSA-N 461.588 2.425 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1359305306 ZSDVJNSMVLCQLL-UHFFFAOYSA-N 481.601 2.196 30 10 JEEE N#Cc1ccc(N2CCN(C(=O)[C@H]3COCCN3C(=O)OCc3ccccc3)CC2)c(F)c1 1434983703 BWJHYMDUSGOCJE-JOCHJYFZSA-N 452.486 2.384 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2C[C@H](C)CN2CCCC2)c1 1507549799 PBQJPBKDQGXTFY-LJQANCHMSA-N 460.586 2.467 30 10 JEEE C#CCCCn1c(N2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)nnc1[C@]1(OCC)CCOC1 1507599215 LUUXJMQAZZVRCB-OFNKIYASSA-N 479.647 2.174 30 10 JEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H]1CC=CCO1)[C@H]1CCS(=O)(=O)C1 1507634642 OKXYGDRPMKPVDW-PMACEKPBSA-N 460.987 2.494 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@H]1CC[C@]2(CCOC2)O1 1507643711 QOQMQXPFDGFAQZ-UQBPGWFLSA-N 466.538 2.382 30 10 JEEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1CCC1CCN(CC(F)(F)F)CC1 1507656297 FOUXAGAJEPRXCI-UHFFFAOYSA-N 450.509 2.138 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CC(C)(C)CN(C)C)CC1 1507738503 QFISNECZUXFTNL-UHFFFAOYSA-N 490.612 2.148 30 10 JEEE C=C(Br)Cn1c(N2CCC[C@@H](C(=O)NC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1507792667 JKGFFRLCVKSSLC-DNVCBOLYSA-N 456.385 2.190 30 10 JEEE C=C(Cl)Cn1c(COc2ccc(OC)cc2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1507871819 ADFCKWYNLPXHTK-UHFFFAOYSA-N 460.966 2.019 30 10 JEEE C=CCCCn1c(N2CCC(OCC(N)=O)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1507954442 SLRZYPLFGGVMLH-CALCHBBNSA-N 462.595 2.486 30 10 JEEE C=CCCOCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCCN(C(=O)C(C)C)CC1 1507961496 AAMXFKPXUXGOHO-UHFFFAOYSA-N 493.612 2.479 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCN(Cc2csc(C)n2)CC1 1508084671 AAKDBGKIJMXLED-UHFFFAOYSA-N 469.590 2.397 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(Cn2cncn2)CC1 1508086300 MXYCIZLGGLUNHO-UHFFFAOYSA-N 454.966 2.333 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1CCc2ccccc2CC1 1508131676 OTDAICQELPZMMA-UHFFFAOYSA-N 459.616 2.403 30 10 JEEE CC(C)CCN(CCC#N)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1509296714 CEFXKKHTWZBCQH-QFIPXVFZSA-N 456.572 2.133 30 10 JEEE CNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1517433263 AFYYXXRFHVFPGD-SFHVURJKSA-N 465.602 2.278 30 10 JEEE C#Cc1cccc(NC(=O)CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)c1 1526133876 QIIBZVGEXZIYBE-HNNXBMFYSA-N 451.957 2.291 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCOCC(F)F 1539268147 GYWJXDHIHBKHEF-KRWDZBQOSA-N 467.517 2.331 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCN(C)[C@H](C)CC 1539268275 LNUFBRVUGIIUEH-UXHICEINSA-N 458.607 2.390 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCOCC1CCOCC1 1539361889 IDSAZYRPOMUPBG-UHFFFAOYSA-N 464.570 2.485 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccc(OC)cc3)n2Cc2nnc(CC)s2)CC1 1539484660 XYMHNHKWGUMTCD-UHFFFAOYSA-N 493.637 2.500 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCOc1cccc(C(F)(F)F)n1 1539538327 FVFAQEIPHYTKRO-IFXJQAMLSA-N 486.520 2.373 30 10 JEEE C=CCn1nc(C)c(-c2cc(C(=O)NCCN3CCN(C(=O)OC(C)(C)C)CC3)n[nH]2)c1C 1540838614 HJDHAQKDBIFSNF-UHFFFAOYSA-N 457.579 2.359 30 10 JEEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1C[C@@H](C)C[C@@H](C)C1 1540863863 HMOSOTXLGFEAOS-IYBDPMFKSA-N 459.620 2.331 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCc2c(ccnc2O)C1 1540875777 XUKDFKZOTFKDHH-UHFFFAOYSA-N 454.918 2.476 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1540900506 YBDSDYZRZMTYRC-HSZRJFAPSA-N 497.669 2.022 30 10 JEEE COc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CC2(C(=O)N(C)C)CCCC2)cc1 1554978743 FBNCTWDCFKYLAW-FQEVSTJZSA-N 468.558 2.243 30 10 JEEE CCOc1ccc(S(=O)(=O)N2CCN(C(=O)NCC3(C#N)CCC3)CC2)cc1OCC 1564947100 CTASCQSHUSVUJA-UHFFFAOYSA-N 450.561 2.194 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1CCCN1C[C@H](C)O[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1588045438 KTIUFRHMXDBTCU-BDTNDASRSA-N 485.654 2.380 30 10 JEEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1CCc1cccs1)[C@H]1CCS(=O)(=O)C1 1588068979 DILRTENEEHZFDV-INIZCTEOSA-N 489.648 2.201 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1588069066 GPCPQVMZAWSSOA-QFIPXVFZSA-N 466.611 2.318 30 10 JEEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1CCC(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 1588070122 WYQITHXUFXIPIM-HXUWFJFHSA-N 487.626 2.015 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](C)COC)[C@H]1CCS(=O)(=O)C1 1588073603 AQXAKFDTDKIROP-INDMIFKZSA-N 452.621 2.106 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(CN2CCC(O)CC2)cc1 1588078617 JAXWKICWPTZJJW-UHFFFAOYSA-N 483.576 2.003 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(C(N)=O)CCCC1 1588400122 WVFLNUJPEKXSHH-KRWDZBQOSA-N 460.579 2.092 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@](C)(O)c2ccc(F)cc2)CC1 1588864822 KIONIZIDMLPRPC-XMMPIXPASA-N 482.585 2.072 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](C)N(C)Cc2ccccc2)CC1 1588923865 OLVIZMPLEYQJBX-HXUWFJFHSA-N 474.613 2.165 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1CCC(C(=O)NCCOC)CC1 1589557404 HTLVXHGKVZUXRW-GGAORHGYSA-N 468.602 2.224 30 10 JEEE C=C(Cl)Cn1c(N2C[C@H](C(=O)NCCOC)CC[C@H]2C)nnc1[C@]1(OC(C)C)CCOC1 1593932323 HBIRFAAUEIKGGM-HMFYCAOWSA-N 470.014 2.439 30 10 JEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCCn2cc(Br)cn2)CC1 1594013111 CGAZUUXEEFOJCX-OAHLLOKOSA-N 486.440 2.484 30 10 JEEE C=C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCC(=O)NC(C)C)CC1 1594036622 VURQVKHSEPLOOC-UHFFFAOYSA-N 460.604 2.267 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)cc1OC 1595218834 OQDAJFMJGJWZSG-HXUWFJFHSA-N 461.588 2.155 30 10 JEEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 1595461189 OSSWRMWYNMRGBP-XWUOBKMESA-N 460.623 2.005 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCc2cc(F)cc(F)c2C1 1595466156 FPNNVJLHTRJACL-UHFFFAOYSA-N 453.453 2.069 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CC(=O)N(C)[C@H](C)C1 1595517107 PPKRKMCAGWJFMR-GOSISDBHSA-N 454.575 2.339 30 10 JEEE C[C@H]1OCC[C@@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1613025694 GKAUFCQDPVAHNM-IVZQSRNASA-N 492.502 2.252 30 10 JEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2nc(N)nc(C3CC3)n2)CC1 1636272529 QXVBIYKTAFKSRR-AWEZNQCLSA-N 451.959 2.016 30 10 JEEE C#CC[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)NC[C@H]3CCCO3)ccc2Br)C1 1642245254 BWGCHVNPIBEWCP-HUUCEWRRSA-N 455.374 2.392 30 10 JEEE Cn1ccnc1[C@@](O)(CCNS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1)C(F)(F)F 1660430055 HESHADWKILPBNR-AWEZNQCLSA-N 456.368 2.429 30 10 JEEE C=CCN(C(=O)Nc1ccc(-n2ccc(C(=O)OCC)n2)c(F)c1)[C@H]1CCS(=O)(=O)C1 1672334597 UGBQGISXDSUWSY-HNNXBMFYSA-N 450.492 2.395 30 10 JEEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1689878706 SCKXZWXHDXDXLT-VXKWHMMOSA-N 487.626 2.383 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1Cc1ccc(C[S@](C)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1689980065 LDGBSMCABOKMRX-LRDXPATISA-N 462.641 2.345 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H]1OCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1689983565 DBBYMAKJZYGHAE-GHTZIAJQSA-N 488.610 2.404 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1Cc1nnc(CC)s1)[C@@H]1CCS(=O)(=O)C1 1689993836 MJHUIHRMIPHCKV-OAHLLOKOSA-N 462.626 2.019 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1CCCN1C[C@H](C)O[C@H](C)C1 1690103999 KBDGJRWMDCTCEB-ZRCGQRJVSA-N 469.586 2.376 30 10 JEEE C#CCSCCn1c(N2C[C@@H]3CCC(=O)N[C@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1690185871 IDHHBFWKLYGRNF-FJIDUMEYSA-N 474.631 2.130 30 10 JEEE C=CCN(CCOC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@]1(C)CN(C)C1=O 1690620230 UZRWOSMSDJVJRD-RUZDIDTESA-N 479.585 2.353 30 10 JEEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCC([C@@H]2CCOC2)CC1 1690728991 CQIODXVEMIILLD-GOSISDBHSA-N 493.655 2.123 30 10 JEEE C=CCS(=O)(=O)CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1690730110 WGSQPYMJHDVODD-INIZCTEOSA-N 498.030 2.465 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 1690731264 FYMUZMSKXDWNLF-QZTJIDSGSA-N 483.635 2.472 30 10 JEEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C(C)C)C1 1690747099 SOMCBSQWENEVQY-ZWKOTPCHSA-N 457.666 2.403 30 10 JEEE CCN1C[C@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2CC2CCS(=O)(=O)CC2)C[C@@H]1C 1695813202 FENOFZHJZISCBY-OALUTQOASA-N 486.642 2.472 30 10 JEEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCCC(C)(C)C2)C1 1695945508 DLZYZUKKNATXEL-NRFANRHFSA-N 485.658 2.457 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OCC(C)C)cc1 1705495553 RMKGMMHPRCCDOH-NQIIRXRSSA-N 475.615 2.152 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OCC)CCOC3)n2Cc2ccc(C#N)o2)c1 1705504518 YMOVYSOXDLZIEW-VWLOTQADSA-N 474.521 2.499 30 10 JEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ncnc3ccsc23)CC1 1705509506 HCWHIDYVSCCPRC-INIZCTEOSA-N 488.643 2.023 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(c2ccsc2)CC1 1705534509 JYPYWTBESGUXMA-IBGZPJMESA-N 463.629 2.470 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1Cc1cnn(C)c1C)[C@@H]1CCS(=O)(=O)C1 1705568520 OXWVMKJRPSYSSP-OAQYLSRUSA-N 482.610 2.191 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1CCCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1705570568 OOSIYCKBZGHBPC-HXUWFJFHSA-N 470.574 2.230 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1CCO[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1705570800 RBSZXJOHVAJYGE-YFVAEKQCSA-N 460.575 2.450 30 10 JEEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(NC(=O)c2ccco2)cc1 1705604631 PZJQJLDAAKNLPZ-MRXNPFEDSA-N 470.555 2.241 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(F)ccc3Br)n2CCc2n[nH]c(C)n2)CC1 1705634226 NXSQDBWBIGMHEV-UHFFFAOYSA-N 473.354 2.271 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCC2CCN(CC)CC2)CC1 1705635453 ZATNKCPLKGQDKN-VWLOTQADSA-N 458.651 2.196 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3nn(CCC)c(=O)c4ccccc34)n2CCC)CC1 1705647537 HSHUKFNVHYTJJR-UHFFFAOYSA-N 461.570 2.441 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCC2(COC)CCCC2)CC1 1705648404 VROKGXPQCQHSRQ-UHFFFAOYSA-N 451.575 2.298 30 10 JEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC2(CC1)C(F)(F)C21CC1 1705651812 IHYKCXWAFZWJIM-CQSZACIVSA-N 459.588 2.270 30 10 JEEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](c2ccccc2)[C@H]1C 1705661602 GEGIVMSDJPQAMV-NRSPTQNISA-N 489.667 2.360 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(OCC(N)=O)CC1 1705694622 DBKGBQLHKBJLKY-KNQAVFIVSA-N 450.543 2.269 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CC3)n2CCCN2CCC[C@H]2C(=O)N(C)C)c1 1722310364 VCEBOTICDXQCTQ-QFIPXVFZSA-N 477.613 2.154 30 10 JEEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCC(NC(=O)NC2CCCCC2)CC1 1722337950 CJRJVNMNPSSCJR-UHFFFAOYSA-N 455.607 2.415 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCCN1C[C@@H](C)C[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1722361851 QLKUEJRZAKVWDH-ZCNNSNEGSA-N 458.632 2.268 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1[C@H]1C[C@H](c2ccccc2F)C1 1722397093 MXUXZMPYGBKRLE-WOIUINJBSA-N 485.585 2.332 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@@H]2CCO[C@@H]2C(C)C)CC1 1722448611 FBXPUZPVHPXLON-JTHBVZDNSA-N 450.587 2.291 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCCN(CC)C(=O)C1 1722500589 CIGMLODACPURJK-UTKZUKDTSA-N 472.615 2.309 30 10 JEEE C=CC[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)NCC)CC1)c1ccccc1 1722595501 WXXYVITWEAPEOT-UXHICEINSA-N 451.575 2.441 30 10 JEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1722603249 HJMCJBXWPKDMMF-FPOVZHCZSA-N 480.679 2.278 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc(-c2cnccn2)n1C[C@H]1CCCN1S(C)(=O)=O 1722660548 YIYLBIRBZKHPPF-GOSISDBHSA-N 471.562 2.491 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](C)N1CCOCC1 1722672745 YBKRVDKNVLQNQI-VQTJNVASSA-N 476.622 2.486 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N(C)Cc1cnn(-c2ccccc2)n1 1722728859 ZAULLSWTKUDBMP-FQEVSTJZSA-N 471.587 2.338 30 10 JEEE CCNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCCCC2=O)CC1 1728672466 FZGVJACZYHAVHD-UHFFFAOYSA-N 464.574 2.071 30 10 JEEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@@](C)(O)CCC(C)C 1729068736 BITYSTXCRCCQAK-JPYJTQIMSA-N 456.595 2.379 30 10 JEEE C#CCCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1740566134 PEKIXBZFGFBXIA-UHFFFAOYSA-N 466.542 2.286 30 10 JEEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1C[C@@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1740626719 CEJKHJFZBOYECI-AEFFLSMTSA-N 466.007 2.087 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2ccc(Cl)s2)CC1 1740706161 RYRYBLSVGHJQGW-MRXNPFEDSA-N 496.058 2.104 30 10 JEEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1740749725 DBERBJJKBAYCGQ-IAGOWNOFSA-N 467.412 2.171 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1740753877 OWJOYOYCNUJGEM-HFSMHLIXSA-N 475.615 2.405 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2cccc(C)c2)nnc1N1CCN(CC(=O)NCC)CC1 1740762786 GLAIJPWRSUHSBQ-PXDATVDWSA-N 482.629 2.405 30 10 JEEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1740865798 VTCMKYLSBHNEAK-VQTJNVASSA-N 451.637 2.085 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 1740962508 FZLGIXDOGACWOP-CTNGQTDRSA-N 499.685 2.050 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1740964823 VKPMNJUDAQRUCK-HNNXBMFYSA-N 470.471 2.371 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCN(C(=O)OCC)CC2)cc1 1740967538 JRNKWHLZVKRWMG-LJQANCHMSA-N 489.598 2.072 30 10 JEEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1748752477 XWWTUXQJCIMMDH-YDIMBITNSA-N 475.590 2.384 30 10 JEEE C#CCCCn1c(COc2cccc(C)c2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1748759358 HRWYBWPXFMEQEB-UHFFFAOYSA-N 497.625 2.132 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1CC(C)(C)c1cccs1)[C@@H]1CCS(=O)(=O)C1 1748811217 DFDGIMWIHGODEK-MRXNPFEDSA-N 456.597 2.401 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1CCn1c(C)nc2ccccc21)[C@H]1CCS(=O)(=O)C1 1748816990 BWPBCHGWTMEJJM-IBGZPJMESA-N 454.600 2.462 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1748831380 MWHWKWIVPSPMDC-GOSISDBHSA-N 462.432 2.189 30 10 JEEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccccc1CN1CCOCC1 1748907588 WZBVWWMMTKOKTM-UHFFFAOYSA-N 459.554 2.265 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccco1)N1CCCCC1 1748962430 HTPZUQNLOLOQOP-PMACEKPBSA-N 475.615 2.086 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)s3)n2Cc2cnn(CCOC)c2)CC1 1748979600 GQBWFJZSHRHFRL-UHFFFAOYSA-N 490.431 2.416 30 10 JEEE C#CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1749020196 NTHJBOHUCZYVNM-SFHVURJKSA-N 496.058 2.241 30 10 JEEE C#CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1749029196 NMICKFHFUXRTNP-QGZVFWFLSA-N 491.639 2.148 30 10 JEEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@H](OCC=C)C1 1749032785 PRPBSJAEFVQKMC-KRWDZBQOSA-N 450.568 2.340 30 10 JEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N(C)CC(=O)N(C)[C@H](C)c1ccccc1 1749033218 BARYTXGDXBKAQG-IEBWSBKVSA-N 454.600 2.251 30 10 JEEE C=C(C)COCCn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1749216111 JLMAHWCOZBOEPD-UHFFFAOYSA-N 470.574 2.121 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2nccc(OCC)n2)CC1 1749364787 XEWDFZPFQFVWRA-KRWDZBQOSA-N 454.579 2.347 30 10 JEEE C=CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCO[C@@H](C(=O)NC)C1 1749426386 ARKMOOOJJMSFRX-GOSISDBHSA-N 462.595 2.310 30 10 JEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1cccs1)C[C@H]1CCCO1 1749630312 QNJTVYYMGNHERG-AEFFLSMTSA-N 467.617 2.044 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC(Cn2ccnn2)CC1 1749658061 KUNWTCVMNLWRFZ-UHFFFAOYSA-N 470.965 2.417 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@@H](NC(C)=O)C1 1749724522 KREDYFABVROVOE-GOSISDBHSA-N 496.431 2.413 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@H](COC)C1 1749730420 DACPOEYXLAQBLL-SFHVURJKSA-N 456.572 2.204 30 10 JEEE C=CCSCCn1c(-c2ccccn2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1749751314 PZPOXROIYGSLMM-UHFFFAOYSA-N 455.632 2.394 30 10 JEEE C#CCCCn1c(N2CCN(C(=O)NCC)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1760159348 DMSBWPQQAZPHSY-HDICACEKSA-N 459.595 2.314 30 10 JEEE C#CCN(c1nnc(-c2cn(C)c3ccccc23)n1C[C@H](CC)OC)[C@@H]1CCS(=O)(=O)C1 1760186786 AROABUZFJXKSIE-MSOLQXFVSA-N 455.584 2.489 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1CCc1ccc(F)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1760187234 CEZMJCMFGJHKNZ-QGZVFWFLSA-N 459.522 2.431 30 10 JEEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCN1CCCO[C@H](C)C1 1760218532 IUWFYPOJNFDRDC-HSZRJFAPSA-N 490.656 2.416 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1C[C@H](C)O[C@@H](C)C1 1760247522 DTKMQMGPZHQFFL-ROUUACIJSA-N 464.570 2.482 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N1CCN(CC(=O)N(C)C)CC1 1760325063 OVMOWUGFOWFAIA-DVECYGJZSA-N 486.592 2.188 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1ccsc1)N(C)C 1760337011 LQUBGOMZQLEZMC-RBUKOAKNSA-N 482.676 2.378 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1760416704 KYRPVFAGGQGESV-KSZLIROESA-N 472.594 2.136 30 10 JEEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 1760465119 XIQFXURLLVDQNZ-IRXDYDNUSA-N 453.609 2.450 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(c2nccnc2C)CC1 1760525066 SEBMLKZPKGOJTG-UHFFFAOYSA-N 466.977 2.250 30 10 JEEE C=CCOc1ccccc1Cn1c(N2CCC[C@@H](C(N)=O)C2)nnc1[C@]1(OCC)CCOC1 1760534291 VCMUEGRTCRVOID-DVECYGJZSA-N 455.559 2.245 30 10 JEEE CN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 1768455987 CNCVNKMDQSXOQP-NZQKXSOJSA-N 475.601 2.158 30 10 JEEE COC1CCN(C(C)(C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCS(=O)CC2)CC1 1770617053 AQDSHUVZOOIKCO-UHFFFAOYSA-N 486.642 2.187 30 10 JEEE C[C@H]1CCc2c(sc(NC(=O)COc3cccnc3NC(=O)N=c3nc[nH][nH]3)c2C#N)C1 1858838465 NVRSNDRPDFNTEE-NSHDSACASA-N 452.500 2.341 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)C(=O)N[C@@H](C(=O)O)[C@@H](C)CC)c(C(=O)OCC)c1C 1860760696 CXFGEFVFGNFTKM-GXFFZTMASA-N 454.501 2.130 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCO)[C@@H]2c2ccc(O)c([N+](=O)[O-])c2)cc1OC 1862580197 ZESGKCMNBWVRFG-LJQANCHMSA-N 458.423 2.278 30 10 JEEE C=CCOc1ccccc1[C@@H]1C(C(=O)NCCNC(C)=O)=C(N)Oc2c1c(C)nn2CC(C)C 1864319382 SVBKSAWTJGCZJU-NRFANRHFSA-N 467.570 2.359 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)COc3cccc4c3C(=O)N(CCCN(C)C)C4=O)cc21 1865808467 RCRNGWHBIBPZQS-UHFFFAOYSA-N 477.517 2.407 30 10 JEEE CCOC(=O)c1ccc(NC(=O)[C@@H](CO)NC(=O)C2CCN([C@@H](C#N)c3cccs3)CC2)cc1 1866867761 RDLLYVITBPHBPY-UXHICEINSA-N 484.578 2.317 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)COc2cn(C[C@@H]3CCCO3)c(CN(C)C)cc2=O)nc1C 1870323179 KMVRAFKGQCDDGL-KRWDZBQOSA-N 490.582 2.214 30 10 JEEE COc1ccc(N2C[C@H](c3nnc(SCC(N)=O)n3/N=C/c3ccc(F)cc3)CC2=O)cc1 1874199244 JOWDBUZFYCSIGO-BJOYXVINSA-N 468.514 2.406 30 10 JEEE CC(=O)NCc1nnc(SCC(=O)NCc2ccccc2)n1/N=C/c1cccc([N+](=O)[O-])c1 1874436130 NROYQGBIPCAGQA-WYMPLXKRSA-N 467.511 2.113 30 10 JEEE CCN1CCN(CC#CCOC2CCN(C(=O)[C@@H](C)n3nc(-c4ccccc4)ccc3=O)CC2)CC1 1890504218 DZJDEKHVDNQMNE-HSZRJFAPSA-N 491.636 2.120 30 10 JEEE COc1ccc(-c2cc(=O)n(CC(=O)N3CCC(N(C)c4cc(C#N)ccn4)CC3)cn2)cc1 1891324053 OYRBBDCJPJLNPA-UHFFFAOYSA-N 458.522 2.313 30 10 JEEE COc1ccc([C@@H]2[C@H](C(=O)N3CC(Oc4cccnc4C#N)C3)SCC(=O)N2C2CC2)cc1 1891435324 BYUKFBLLIRYSSG-DHIUTWEWSA-N 464.547 2.399 30 10 JEEE CC(C)N1C(=O)CS[C@H](C(=O)N2CC[C@@H](Oc3cnsn3)C2)[C@H]1c1ccc(C#N)cc1 1892155270 UROMYZFGDMBIQL-AHRSYUTCSA-N 457.581 2.483 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O 2060127618 KGVLOEGDMOEFEW-BRWVUGGUSA-N 454.568 2.450 30 10 JEEE CC(C)(C)OC(=O)N1CC(O)(C(F)(F)C(=O)N2C[C@H]3C(B4OC(C)(C)C(C)(C)O4)[C@@H]3C2)C1 2124538504 KNJFDJJLHCXMHI-CHWSQXEVSA-N 458.311 2.154 30 10 JEEE C=C[C@@]1(CO)COCCN1C(=O)c1ccc(I)c(Br)c1 2199871499 YZWJZSGOBQLZFI-CQSZACIVSA-N 452.086 2.443 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H]1CNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2255794853 CGABMJNILOPCPZ-HNNXBMFYSA-N 472.438 2.476 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC2CC(NC(=O)OCc3ccccc3)C2)n1 2255830391 FMQIKVIAYHYBQA-UHFFFAOYSA-N 468.363 2.389 30 10 JEEE CO[C@H]1C[C@H](CNC(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)N(C(=O)OC(C)(C)C)C1 2267009800 QLSIJMAZMQATED-CVEARBPZSA-N 450.341 2.333 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](NC(=O)c2cc(Cl)cc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267014490 ZJCJLCUSWAJAPJ-IRXDYDNUSA-N 466.771 2.349 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)[C@H]2C[C@@H](B3OC(C)(C)C(C)(C)O3)C2)[C@H](S(C)(=O)=O)C1 2267116418 OGFAEHUSWGDGJH-XUWVNRHRSA-N 472.413 2.008 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@@H](NS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267376004 PMADTHDVKGDCQE-MRXNPFEDSA-N 467.397 2.059 30 10 JEEE CC(C)(C)OC(=O)NC1(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2F)COC1 2267413436 BBGAGBJSIUXNCK-UHFFFAOYSA-N 450.316 2.148 30 10 JEEE CN(C[C@@H](O)COCc1ccccc1)C(=O)c1nn(C)c(Cl)c1B1OC(C)(C)C(C)(C)O1 2267501485 YMTPDRIFIRCAPS-MRXNPFEDSA-N 463.771 2.022 30 10 JEEE C[C@H](CN(C)C(=O)OC(C)(C)C)NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(O)cc1O 2267806772 BGHSNMMVXOMLMN-CYBMUJFWSA-N 450.341 2.382 30 10 JEEE COC[C@H](ONC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1nscc1B1OC(C)(C)C(C)(C)O1 2268631314 WSHZSOUCNSVFHI-JSGCOSHPSA-N 471.385 2.091 30 10 JEEE CN1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)cs1 2268639534 QGOVAMGJDWYABG-KRWDZBQOSA-N 465.425 2.215 30 10 JEEE COC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1 2281797020 ZGIQURIDOHCPAR-MRXNPFEDSA-N 461.368 2.089 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)C2(B3OC(C)(C)C(C)(C)O3)CCC2)[C@H]2CS(=O)(=O)C[C@H]21 2281801076 PZARFJDFXPIZDU-JKSUJKDBSA-N 484.424 2.248 30 10 JEEE COCC[C@@H](CNC(=O)c1ncc(C)cc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2281953497 LGVWAHDPLBWJDD-INIZCTEOSA-N 463.384 2.349 30 10 JEEE Cn1cc(C(=O)N[C@@H]2[C@@H]3CCCCN(C(=O)OC(C)(C)C)[C@@H]32)c(B2OC(C)(C)C(C)(C)O2)n1 2281980699 KJQDZGMOPFVQPS-UAGQMJEPSA-N 460.384 2.237 30 10 JEEE CC(C)(C)OC(=O)N1CC([C@H]2CCCN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)C2)C1 2281990511 NYZTYNYLLKEREH-HNNXBMFYSA-N 460.384 2.428 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@]2(CNC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2282172334 VNTOSAVMNWEJCT-CMJOXMDJSA-N 458.368 2.153 30 10 JEEE CN(C[C@]1(O)CCN(Cc2ccccc2)C1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn1C 2282186348 SYTUPHSHYUKYJC-RUZDIDTESA-N 453.392 2.033 30 10 JEEE 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)c[nH]1 2282200898 PCEIBSQGFZGLGJ-DZOHQFGASA-N 461.368 2.114 30 10 JEEE CC(C)(C)OC(=O)NC1[C@H]2CN(S(=O)(=O)Cc3cccc(B4OC(C)(C)C(C)(C)O4)c3)C[C@H]12 2282496741 GTJJEDRXXOUQQM-ROUUACIJSA-N 478.420 2.271 30 10 JEEE CCc1nc(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 2282512126 GPYAKBVYAUURBZ-UONOGXRCSA-N 481.424 2.105 30 10 JEEE Cn1cc(C(=O)N2CCCC[C@@H](CNC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2282553256 WMDRURHNISAKTI-INIZCTEOSA-N 462.400 2.486 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@]12CC[C@@H]1CN(C(=O)OC(C)(C)C)C2 2282590760 GQSTZBIIXPJVLA-CMJOXMDJSA-N 460.384 2.332 30 10 JEEE Cc1c(C(=O)N2CC[C@@H](C)N(C(=O)OC(C)(C)C)CC2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282600361 XEKKVCQBBQRUBA-OAHLLOKOSA-N 462.400 2.499 30 10 JEEE C[C@@H]1CC[C@H](NC(=O)C(F)(F)F)CN1C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1O 2282816147 IREIJVYVXWJDMC-OCCSQVGLSA-N 456.270 2.363 30 10 JEEE C[C@@H](c1nscc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)C1(CO)CN(C(=O)OC(C)(C)C)C1 2283955298 KXHJLJDFUFXGRF-AWEZNQCLSA-N 481.424 2.191 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1CCO[C@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2283956484 KTOLJCQMNSODSS-XJKSGUPXSA-N 465.331 2.388 30 10 JEEE CC(C)(C)OC(=O)NCCn1cc(C(=O)Nc2ccccc2B2OC(C)(C)C(C)(C)O2)nn1 2283968696 MRJROCBVDBARPC-UHFFFAOYSA-N 457.340 2.354 30 10 JEEE CC(C)(C)OC(=O)NCC12CC(C(=O)Nc3ccc(B4OC(C)(C)C(C)(C)O4)cn3)(CO1)C2 2284015880 SXECJOAGZNDEJG-UHFFFAOYSA-N 459.352 2.393 30 10 JEEE COc1ccc(C(=O)N2CCC(NC(=O)C(F)(F)F)CC2)cc1B1OC(C)(C)C(C)(C)O1 2286116677 QOQJFZNZMVNTDP-UHFFFAOYSA-N 456.270 2.278 30 10 JEEE CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2289799743 BTLWPYFKCLHAEI-AWEZNQCLSA-N 483.396 2.320 30 10 JEEE COC(=O)c1[nH]c(C)c(C(O)=C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccccc2)c1C 2296114075 KYKDIYZJYHOSMQ-NRFANRHFSA-N 467.522 2.172 30 10 JEEE C=CCN1C(=O)[C@]2(C(=C(O)c3ccc(C)o3)C(=O)C(=O)N2CCN2CCOCC2)c2ccccc21 2297743099 BUQRHKMMXOCAPK-AREMUKBSSA-N 477.517 2.029 30 10 JEEE COc1cc(Br)cc(C=Nn2c(SCC(N)=O)nnc2[C@@H]2CCCO2)c1O 2330939138 KMETZDZGNZLZSP-NSHDSACASA-N 456.322 2.066 30 10 JEEE Cn1ncc(C(=O)N[C@H]2C[C@@H]3C[C@H]2C[C@H]3NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2359263568 XFAGOFYAQGKXJR-NXNVCVFFSA-N 460.384 2.141 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@]12CO[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)C2 2359268274 DGFFYLRUXPQNJH-VVYDWRJNSA-N 479.408 2.305 30 10 JEEE Cn1cnc(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 2362332512 PDGLSNZZIVWEBP-OWCLPIDISA-N 460.384 2.237 30 10 JEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccnc3ccccc23)c(=O)n1Cc1ccccc1 517511579 VXXRKHHWEQBURE-UHFFFAOYSA-N 452.539 2.312 30 10 JEEE C=CCn1c(-c2ccncc2)nn(CN2CCN(c3ccccc3S(=O)(=O)NC)CC2)c1=S 727825748 XWBTWQUFQFBJCQ-UHFFFAOYSA-N 485.639 2.350 30 10 JEEE C#CCN(C(=O)C1CCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1)[C@@H]1CCS(=O)(=O)C1 729332257 XBDCXSIPXUGFDG-HXUWFJFHSA-N 480.652 2.034 30 10 JEEE C#CCN(CC(=O)O)C(=O)[C@](C)(COC)NC(=O)OCC1c2ccccc2-c2ccccc21 757447786 KODGOLUVSIUIRA-VWLOTQADSA-N 450.491 2.477 30 10 JEEE CN1CCN(C(=O)CSc2n[nH]c(NN=Cc3ccc(COc4ccc(F)cc4)o3)n2)CC1 1084003635 XPZHDIYBJRKUCX-UHFFFAOYSA-N 473.534 2.428 30 10 JEEE C=CCn1c(S)nnc1Cc1csc(NC(=O)CN2C(=O)c3ccc(C)cc3C2=O)n1 1136554272 XGSUVONAWWUNOU-UHFFFAOYSA-N 454.537 2.343 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCO[C@@H](C)c1ccccc1 1286294835 FUCGTKLYIRSAHC-IRFCIJBXSA-N 475.615 2.237 30 10 JEEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1286315604 YASQYSOFDFKHTG-UHFFFAOYSA-N 479.570 2.436 30 10 JEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1cccnc1OCC 1286413287 IJAWEIXIIXFIFJ-UHFFFAOYSA-N 456.554 2.367 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCCN2CCC(C)CC2)CC1 1286488933 YOJLBMOSOWJVCO-SANMLTNESA-N 486.661 2.018 30 10 JEEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(C(C)C)CC1 1286504859 QPOQXUPQGCOISY-UHFFFAOYSA-N 451.600 2.089 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2cc(OC)c(C)cc2C1 1286509963 ZEKIOJUEFYUKCF-SFHVURJKSA-N 460.625 2.426 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccc2F)nnc1N1CCO[C@H](CNC(C)=O)C1 1286558365 OAJCSQVBKPARJK-VIZSFHNOSA-N 457.550 2.331 30 10 JEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(-c3nc[nH]n3)cc2)CC1 1286652039 ROXNRAPYAWYYAE-HNNXBMFYSA-N 456.576 2.124 30 10 JEEE C=CCn1c(-c2ccc(Br)s2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1286772017 GDZRJHZALPAPFO-UHFFFAOYSA-N 451.394 2.356 30 10 JEEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC(CCN2CCCC[C@@H]2C)CC1 1286791262 XCPKSTJEKQVSEQ-FQEVSTJZSA-N 471.650 2.184 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1286792484 ZLNLTOLAYXFIDZ-LEWJYISDSA-N 455.559 2.106 30 10 JEEE C=CCOc1ccc(Cn2c([C@H]3CCCOC3)nnc2N2CCO[C@@H](CNC(C)=O)C2)cc1 1286796088 IOBOMHAKMXVTCI-UNMCSNQZSA-N 455.559 2.127 30 10 JEEE Cc1cnn(CCn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CCO[C@@H](C#N)C2)c1 1290286873 DMKUSLCUAJEWQT-ROUUACIJSA-N 456.551 2.284 30 10 JEEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC1(N(C)C)CCOCC1 1300456187 XINVSUHCZLWZND-UHFFFAOYSA-N 463.586 2.416 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1CCOc1ncccc1F)[C@H]1CCS(=O)(=O)C1 1300498164 HYNLMUOXVKRKKI-SFHVURJKSA-N 487.532 2.248 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@@H]1CCC=CO1)[C@H]1CCS(=O)(=O)C1 1300499956 ZVHNATZPRKHPIH-IRXDYDNUSA-N 462.522 2.467 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2cccc(CN(C)CC)c2)CC1 1300685105 GJSIALNKTZRUEZ-SANMLTNESA-N 466.630 2.185 30 10 JEEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2CC2(S(C)(=O)=O)CCCC2)CC1 1300707189 WZNQYMCCHJYMJQ-UHFFFAOYSA-N 455.628 2.176 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC1 1300729255 SFLDMLNHUUGFHI-HXUWFJFHSA-N 496.578 2.240 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2CCCn2cccn2)CC1 1300732180 YMGYLFXLQFXDDO-UHFFFAOYSA-N 461.570 2.418 30 10 JEEE C#CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1300733760 NMGOZPYEPBYOOS-PKOBYXMFSA-N 487.029 2.285 30 10 JEEE C#CCSCCn1c(-c2ccccc2F)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1300754029 FZNYTJPPHDVASF-SFHVURJKSA-N 493.630 2.081 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 1300877723 ZDQSCDYQGVKTPJ-PMACEKPBSA-N 469.652 2.260 30 10 JEEE C[C@H]1CCCN([C@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCS(=O)(=O)CC2)C1 1305027811 ASXPWZNGJPUCOA-RBUKOAKNSA-N 472.615 2.084 30 10 JEEE CCOC(=O)c1c(NC(=O)NCc2cccc(C(=O)NCCN(C)C)c2)c(C#N)cn1CC 1310892646 FCHZJEYIBRXNFJ-UHFFFAOYSA-N 454.531 2.169 30 10 JEEE CCN1CCN(C[C@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCn2cccn2)CC1 1313948054 BMAHWKNJHSPIIG-NRFANRHFSA-N 461.618 2.423 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2CC2CCN(C(C)=O)CC2)c1 1358901976 BTTPYEMAWOQFQN-NRFANRHFSA-N 464.570 2.097 30 10 JEEE C#CCCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1358904854 NCZIKTAYTKGRBZ-SJLPKXTDSA-N 470.961 2.022 30 10 JEEE C#CCCCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1358915164 ULXORKGNBRLHCC-QGZVFWFLSA-N 450.634 2.203 30 10 JEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(c2ccccn2)CC1 1358922967 YIAANFHWIFQCOR-UHFFFAOYSA-N 450.568 2.484 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1(c2ccccc2)CC1 1358929858 JLSASQZYBZEMMD-HXUWFJFHSA-N 457.600 2.192 30 10 JEEE C#CCN(c1nnc(-c2ccccc2F)n1Cc1cccnc1OCCOC)[C@H]1CCS(=O)(=O)C1 1358959910 RZYPIHZVJXGXSX-IBGZPJMESA-N 499.568 2.179 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@](C)(O)[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1358966137 IODYPUSVTSGFGR-NRYAXDJKSA-N 485.610 2.153 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCCCCO)[C@@H]1CCS(=O)(=O)C1 1358967611 NXBACTOTNPFMTM-VAMGGRTRSA-N 466.648 2.376 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](C)CN1CCCC1 1358979367 KMUNNJXKVLRSGQ-RTWAWAEBSA-N 470.618 2.391 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccc3Cl)n2C[C@H]2COCCO2)n1 1359027348 GDPSXXCTUKYBRO-IBGZPJMESA-N 470.961 2.497 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1359121892 MXYVETFAIXDMER-HXUWFJFHSA-N 456.572 2.228 30 10 JEEE C=CCNC(=O)Cn1c(N(C)C[C@@H]2CCCCO2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1359305631 JBMJMPLEZWKRCG-KSZLIROESA-N 462.595 2.356 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](CC)c2ccccc2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1359327947 OXTOWSJJRABPMB-CVDCTZTESA-N 473.599 2.452 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCCN(Cc2ccccc2)CC1 1359334443 FYSPGGNDSOKTRL-UHFFFAOYSA-N 497.669 2.453 30 10 JEEE C=CCN1CC[C@H](N(C)C(=O)Nc2cc(I)cc(C(=O)OC)c2)C1=O 1476353907 NGCPUVUFQRZZRA-AWEZNQCLSA-N 457.268 2.328 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1Cc1cn(C2COC2)nn1 1507523196 JHXLGVCJRGWDQZ-INIZCTEOSA-N 451.531 2.410 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCO[C@@H]2C(C)C)c1 1507550550 MOFHGRFKPVTAOU-MIZPHKNDSA-N 499.637 2.298 30 10 JEEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccccc1CN1CCC[C@@H]1CO 1507617842 CIQYOJCHLKIFSS-OAQYLSRUSA-N 478.622 2.344 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCc1ccc(CC)cc1)[C@H]1CCS(=O)(=O)C1 1507622836 MGUHGTVRKBZTQB-NRFANRHFSA-N 492.605 2.357 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H](CC(C)C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1507628364 WJGAXBPJBVRUGY-NHCUHLMSSA-N 488.614 2.456 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@@](C)(O)CCC)[C@@H]1CCS(=O)(=O)C1 1507638087 DITLBMQBFSBNNH-GCJKJVERSA-N 464.563 2.174 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(C)(C)CN1CCCC1 1507710856 WOISEYQPYHXTES-UHFFFAOYSA-N 477.613 2.400 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(Br)c3)n2CCN2CCOC[C@@H]2C)CC1 1507718578 QPRPJRLFKSGJDC-SFHVURJKSA-N 473.419 2.184 30 10 JEEE C#CCN1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCOCC(F)(F)C(F)F)CC1 1507723246 ALRVMTDFRGLKAW-UHFFFAOYSA-N 493.465 2.266 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H](C)N(C)C2CC2)CC1 1507734922 CXMXCAIRUXXMBI-SFHVURJKSA-N 480.613 2.411 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2CCOCC2)CC1 1507741214 XNKLTMYZDSDVES-UHFFFAOYSA-N 462.554 2.121 30 10 JEEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1507835948 RQCRLPKFHAAXQX-ZJOUEHCJSA-N 460.623 2.148 30 10 JEEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](c2ccc(OC)cc2)C1 1507868228 GCUNQZOLAGWVGC-IEBWSBKVSA-N 482.006 2.366 30 10 JEEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1507925269 CRSCNBWOSSFLCE-SFHVURJKSA-N 466.652 2.474 30 10 JEEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1507927243 ZOOUXDWMWDMJRT-INIZCTEOSA-N 469.681 2.248 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CC[C@H](N(C)Cc2ccccc2)C1 1508140978 ROMGNDLAOHYDNP-FQEVSTJZSA-N 467.599 2.047 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1508149223 QTCMWVYRJSYYEG-XUVXKRRUSA-N 495.690 2.491 30 10 JEEE CSc1cc(Cn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N2CCO[C@H](C#N)C2)ccn1 1520051290 DCQWPBGUHJKVLQ-GOSISDBHSA-N 499.622 2.089 30 10 JEEE N#Cc1ccc(OCc2nnc(N3CCC[C@@H](C(N)=O)C3)n2CCC(=O)N2CCCCCC2)cc1 1521101613 FHOALVYTUBYNDE-HXUWFJFHSA-N 479.585 2.223 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1539645474 OJXLJUNRTFIKGU-RLLQIKCJSA-N 467.636 2.361 30 10 JEEE C=CC[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(S(C)(=O)=O)CC1)c1ccccc1 1539939603 JFVJZCMNEVIRHX-MJGOQNOKSA-N 495.671 2.262 30 10 JEEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1539966158 FXORZUGTXHRMRH-MSOLQXFVSA-N 483.635 2.266 30 10 JEEE C=CCN(CC=C)c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)N1CCSCC1 1540158418 GTXIWFUEZFQPGN-UHFFFAOYSA-N 458.613 2.374 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(Cc2ccc(OCC)cc2)CC1 1540867714 FBVYDXGRMQRORV-UHFFFAOYSA-N 463.586 2.307 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCO[C@H](c2ccc(Br)cc2)C1 1540868820 STADFWDWLYVEJP-SFHVURJKSA-N 484.358 2.378 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1540872058 AUBHPGPLTOLVPP-UHFFFAOYSA-N 480.529 2.126 30 10 JEEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2cccc(C)c2)CC1 1540874290 ATBOJUBFXOGOKV-UHFFFAOYSA-N 479.610 2.207 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CC)CCC 1540905993 YCLISEBZJXCGAP-QGZVFWFLSA-N 471.624 2.424 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1540908950 SKJYJYULNCYMAJ-VQTJNVASSA-N 497.017 2.496 30 10 JEEE N#Cc1ccc(-c2nnc(N3CCCN(CC(F)(F)F)CC3)n2CC(=O)NCC2CC2)cc1 1555988596 IEIJSXVZIORQRZ-UHFFFAOYSA-N 461.492 2.417 30 10 JEEE C=CCn1c(S)nc2cc(C(=O)Nc3ccc(F)c(N4C(=O)CNC4=O)c3)ccc2c1=O 1558970324 RZDRSGDJBKSUOI-UHFFFAOYSA-N 453.455 2.319 30 10 JEEE CCCC[C@@H](NC(=O)[C@@H](C)NC(=O)C(C)(C)C)C(=O)N1CCN(c2ccc(C#N)cc2)CC1 1586110774 BHHPLGRNIWEWAZ-WIYYLYMNSA-N 455.603 2.433 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1C[C@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1587569303 WOYUCCFGFVIQKE-UDYZQQPESA-N 489.617 2.413 30 10 JEEE C#CCN(c1nnc(-c2ccc(Br)s2)n1CCc1cn[nH]c1)[C@@H]1CCS(=O)(=O)C1 1588040343 LRRDDSAOVFNUJV-CQSZACIVSA-N 495.428 2.362 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccc(N(CC)CC)cc1)[C@H]1CCS(=O)(=O)C1 1588054985 QWNZVFWBHXTGRO-IRLDBZIGSA-N 471.627 2.303 30 10 JEEE C#CCN(c1nnc(COc2ccccc2OC)n1CC1(SC)CC1)[C@@H]1CCS(=O)(=O)C1 1588069112 HMQRHLBTYYYXTJ-QGZVFWFLSA-N 476.624 2.388 30 10 JEEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2CC2(O)CCN(C(C)C)CC2)CC1 1588857358 MSWDNSZIROCDKS-UHFFFAOYSA-N 450.631 2.054 30 10 JEEE C=CCCCCn1c(Cc2ccccc2C)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1594635734 ZDLJFINKULNLRY-UHFFFAOYSA-N 478.601 2.000 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C2CC2)C1 1595797152 FBMWEUQAXYVPJG-CEXWTWQISA-N 495.646 2.122 30 10 JEEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1595838520 VNTDCWDFQPPKMC-SFHVURJKSA-N 468.587 2.255 30 10 JEEE CCc1ccccc1OCc1nnc(N2CCC(CC#N)CC2)n1C[C@]1(O)CCS(=O)(=O)C1 1613820196 BUCJOTQUQNXXRP-HSZRJFAPSA-N 473.599 2.099 30 10 JEEE CCN(CC)C(=O)CN1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)COC)CC1 1615325137 AUBRJYQSYWJIDE-HXUWFJFHSA-N 467.618 2.480 30 10 JEEE CCn1nc(-c2nnc(N(C)C[C@@H](C)C#N)n2CC2CCS(=O)(=O)CC2)c2ccccc2c1=O 1615898184 DJHIDWIEDDNDAS-INIZCTEOSA-N 483.598 2.096 30 10 JEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc([C@@]2(C)NC(=O)NC2=O)c1 1626461432 ARPAOYYVPSWWMY-YCRPNKLZSA-N 450.923 2.393 30 10 JEEE COc1ccc(OC)c([C@H](O)[C@H](C)NC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1 1634918150 AYIMJHMVOPQLSX-ZAOYMGCJSA-N 452.511 2.098 30 10 JEEE N#Cc1ccc(OCC(=O)N2CCC(S(=O)(=O)N3CCCC3)CC2)cc1Br 1635097514 FPZLKIMRJUJHLY-UHFFFAOYSA-N 456.362 2.116 30 10 JEEE C#CCC[C@@H](O)CNC(=O)c1cc(O)nc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc12 1648736988 KAIUJTBRPZGCKF-MRXNPFEDSA-N 457.483 2.384 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CSCCS2)c1 1689870178 DUTPGROSOFQPSB-MSOLQXFVSA-N 470.624 2.134 30 10 JEEE C#CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCO[C@H](CNC(C)=O)C1 1689928120 HKNPEWAVGXTGSR-VQTJNVASSA-N 474.606 2.147 30 10 JEEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1CCCC1)[C@@H]1CCS(=O)(=O)C1 1689982522 PDMRPMNZVAOSNT-LJQANCHMSA-N 476.624 2.166 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](C)Oc2ccc(Cl)cc2)CC1 1690124977 XXOPTSUDEREPIQ-ROUUACIJSA-N 478.018 2.056 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CCOC)[C@H](CC)C1 1690235592 BHIBQOWUTHTDQO-NJYVYQBISA-N 460.623 2.042 30 10 JEEE C=C(C)COCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1690315614 HIEDPSTYOYZJKG-QFIPXVFZSA-N 470.593 2.344 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1690665929 UFCKZWBXDAEAOQ-JKSUJKDBSA-N 492.330 2.133 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(C(=O)C(C)C)CC1 1690717358 CUCOHKJRECYVKU-UHFFFAOYSA-N 497.568 2.452 30 10 JEEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 1705522898 HHFOQXMVVUKSFE-UHFFFAOYSA-N 492.628 2.156 30 10 JEEE C#CCCCn1c(N2CCN(CCN3[C@@H](C)CC[C@H]3C)CC2)nnc1[C@@]1(OCC)CCOC1 1705539634 XMWNEURUWGJBCB-OTNCWRBYSA-N 458.651 2.338 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H]1CCCN(CC(C)C)C1)[C@H]1CCS(=O)(=O)C1 1705564821 QLJFYKVYPLPWHA-UNMCSNQZSA-N 470.643 2.335 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1cn(CCCCC)nc1C)[C@H]1CCS(=O)(=O)C1 1705567315 WIYRYJVIJYILHW-NRFANRHFSA-N 484.630 2.049 30 10 JEEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1cccc(CO)c1 1705598383 IGILBNCHRFOVMD-UHFFFAOYSA-N 455.566 2.456 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H](c2ccc(F)cc2)N(C)C)CC1 1705634969 NUVDAMTVBOPLMZ-RDGATRHJSA-N 470.593 2.127 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1705708402 BVFXGXLDDZXBLE-SFLYRZDNSA-N 480.569 2.051 30 10 JEEE C=C(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](c2cnn(C)c2)C1)c1ccccc1 1705741137 HBQOYYCFWHOUCX-IEBWSBKVSA-N 455.588 2.329 30 10 JEEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1705814094 CTQWTTAEOPWMMJ-GHTZIAJQSA-N 459.616 2.472 30 10 JEEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(F)(F)F)CC1 1705825390 SAWJEGOBEILECC-UHFFFAOYSA-N 453.469 2.202 30 10 JEEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CC[C@H](Oc2ccccc2Cl)C1 1705907852 ZSRRLENIBNKHIX-INIZCTEOSA-N 458.950 2.014 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCN2C[C@@H](C)C[C@@H](C)C2)C1 1705926181 ZJDHJQCGUBIPCK-JSXRDJHFSA-N 465.664 2.330 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](C(C)C)N2CCOCC2)C1 1705929361 PHQYPMKKTCMQQY-FCHUYYIVSA-N 457.623 2.278 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CC[C@H](CN2CCOCC2)C1 1705933024 REHUTMQMUPTBLC-HXUWFJFHSA-N 459.616 2.013 30 10 JEEE CC[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1)OC 1708807593 BEDYIKLEFYLSJL-JOCHJYFZSA-N 465.602 2.409 30 10 JEEE CC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)OC)CC1)N1CCCC1 1708807816 BIFRYYRGQOIVEN-HXUWFJFHSA-N 467.574 2.492 30 10 JEEE CCc1cnc(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCO[C@H](CNC(C)=O)C2)s1 1708960484 HLLZIDFQLOLBCW-HXUWFJFHSA-N 495.609 2.332 30 10 JEEE CCN(CC)C(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)CC2CC2)CC1 1710002806 GZHVVXBVYOTUFH-UHFFFAOYSA-N 499.641 2.225 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1CCNC(=O)c1cccs1)[C@@H]1CCS(=O)(=O)C1 1722361659 IPVBYVVSLKKGBD-GOSISDBHSA-N 483.619 2.372 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1ccc2c(c1)OCCO2)[C@H]1CCS(=O)(=O)C1 1722368265 QJKQYEIYZLWSLZ-SFHVURJKSA-N 458.584 2.313 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H]1CCCO[C@H]1C(C)C)[C@@H]1CCS(=O)(=O)C1 1722369743 FTMSYDIWWPUIFM-NMLBUPMWSA-N 450.605 2.208 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CC1(C)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1722372433 WPVTXADJSSGGMO-HXUWFJFHSA-N 483.594 2.172 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1CCCN1CCN(CC)CC1 1722375344 BIUNWXMCCHSYNJ-UHFFFAOYSA-N 458.408 2.136 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCC1CCN(CC(F)(F)F)CC1 1722390592 SEGMCRCHZNIYEW-QGZVFWFLSA-N 488.580 2.016 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCC2(C1)OCCO2 1722406833 WPTCFVYVHDWHPB-GOSISDBHSA-N 473.599 2.198 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc4cccnc34)n2C[C@@](C)(O)CCOC)CC1 1722445417 PTBHPDUJYXZVEE-SANMLTNESA-N 476.581 2.247 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccc(OC)cc3)n2CC2(O)CCCC2)CC1 1722448940 DLZXUOFVGKDRSU-UHFFFAOYSA-N 465.598 2.343 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@H]1CCS(=O)(=O)C1 1722468238 LURIVROLLKOOBU-QMHKHESXSA-N 474.583 2.398 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)Cc1ccccc1OC 1722523212 HCWVDLUKFPGLRN-XLIONFOSSA-N 463.604 2.263 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2cccn2C)n1C[C@@]1(O)CCO[C@H]1C 1730749794 CBSPAIOCBMPKIT-UUOWRZLLSA-N 450.543 2.348 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H]1CCCc2cc(OC)ccc21)[C@H]1CCS(=O)(=O)C1 1740616358 ZSWTUAHHMBKBKP-UXHICEINSA-N 499.637 2.172 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@H](C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 1740620708 XCYDLSOTPKFOPA-CTNGQTDRSA-N 471.627 2.312 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H]1CCCO[C@H]1C(C)C)[C@H]1CCS(=O)(=O)C1 1740621749 OSLYQHJYHSABLY-ZJOUEHCJSA-N 459.616 2.362 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@](C)(O)c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1740623065 NKSFCKJKHWNVAY-SXWKCWPCSA-N 476.574 2.193 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCCN1CCc2ccccc2C1 1740679144 ZUUFBWZUPQBWBZ-UHFFFAOYSA-N 450.587 2.049 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H]2CCCCN2CCC)CC1 1740702834 ABIWCFAUNVGCEI-GJZUVCINSA-N 486.661 2.161 30 10 JEEE C=C(Br)Cn1c(CCc2ccccc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1740747281 CVKTVSQQZVHGQP-QGZVFWFLSA-N 473.375 2.445 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C)nnc1N1CCN(S(=O)(=O)N(CCC)CCC)CC1 1740754571 UNBMKZSWGZMOQS-UXHICEINSA-N 454.641 2.057 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 1740957536 RFOPUVUWBMJHBV-UHFFFAOYSA-N 455.563 2.383 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1740974666 HFNQKDGNUANAEQ-YGCDDZCOSA-N 469.933 2.301 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1740987374 FOIQQQZVDYXILN-YZZKKUAISA-N 471.583 2.190 30 10 JEEE CC(=O)NC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)CCCS2)CCO1 1741110835 HBHZCIOLMBEDJA-OFNKIYASSA-N 470.599 2.356 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3csc(C)n3)n2C[C@H](C)N2CCOCC2)c1 1748694752 NCMUNQSSTWGLPE-SFHVURJKSA-N 493.637 2.411 30 10 JEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCC2(C1)OCCO2 1748789929 QMLOECLBVOOSFY-MSOLQXFVSA-N 461.563 2.199 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1ccc(C[S@@](C)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1748818164 WSWLPZPOWJWVKC-PLTNMMHCSA-N 476.668 2.420 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC[S@@](=O)C(C)(C)C 1748882449 SIGTYLGCHCPOBD-JGCGQSQUSA-N 489.667 2.206 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2Cc2ncnn2C(C)(C)C)CC1 1749000541 XFLFWZXMSKWESF-UHFFFAOYSA-N 452.538 2.146 30 10 JEEE C=C(C)CN(CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@H]1CCC(=O)N1 1749166257 YPEFJMRACFJWAK-OAQYLSRUSA-N 451.619 2.324 30 10 JEEE C=C(C)COCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1749216470 NXDVOEZCDGYEKL-UHFFFAOYSA-N 458.588 2.270 30 10 JEEE C=CCCOCCn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1749461792 IWFHMAPKLJPXRN-YPAWHYETSA-N 474.650 2.349 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CCS(=O)(=O)C1 1749600951 SYZHMUNQZYGYRX-KURKYZTESA-N 483.635 2.122 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@@H](C(=O)OC)C1 1749656060 ZCYULDIZODECDB-GFCCVEGCSA-N 466.311 2.148 30 10 JEEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(Oc2cccnc2)c(F)c1 1760162826 HPSBLLBIXZBTFM-HNNXBMFYSA-N 458.519 2.332 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CC1(C(=O)N(C)C)CCCC1)[C@@H]1CCS(=O)(=O)C1 1760184020 SKDJVWSTADVTSO-OAQYLSRUSA-N 494.621 2.092 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCOc1ncccc1Cl)[C@H]1CCS(=O)(=O)C1 1760188416 KOKHJIGMQBFATC-HNNXBMFYSA-N 460.947 2.027 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H](OC)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1760190668 TZWWEVQKEAZTAG-FCHUYYIVSA-N 465.579 2.278 30 10 JEEE C#CCN(c1nnc(CC2CCCC2)n1CCn1cc(Cl)cn1)[C@H]1CCS(=O)(=O)C1 1760192851 YLGAZBZJNFKJIA-SFHVURJKSA-N 450.996 2.188 30 10 JEEE C#CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC(C)(C)OC)[C@@H]1CCS(=O)(=O)C1 1760193477 ZZSUJJCJEOTHCJ-FGTMMUONSA-N 495.646 2.101 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2Cc2ccnc(C(F)(F)F)c2)CC1 1760266063 OXZUZIVECLIJEG-INIZCTEOSA-N 494.518 2.430 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H](C2CC2)N(C)C)CC1 1760266952 BYKGFLWOZURHEV-NRFANRHFSA-N 480.613 2.268 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2CC2([S@@](C)=O)CCC2)CC1 1760266962 CCMSXSRKWQUJFU-MGBGTMOVSA-N 469.611 2.221 30 10 JEEE C=C(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1760341298 QWIMDRNDFUMFBT-KRWDZBQOSA-N 486.020 2.227 30 10 JEEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cc(Cl)ccn1 1760374045 HMGBGYPWPGJODW-OAHLLOKOSA-N 461.375 2.048 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1760518930 MJAGZGFMQXRLHK-FQEVSTJZSA-N 493.656 2.379 30 10 JEEE COc1ccccc1-c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCCC(=O)N(C)C 1770407586 HQPXLNUKTYJKAL-SFHVURJKSA-N 489.584 2.199 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)COc3cccnc3NC(=O)N(CCOC)CCOC)cc21 1858829478 MJTONXKPZYEEOI-UHFFFAOYSA-N 498.536 2.381 30 10 JEEE CCCCN(CCO)C(=O)[C@H](Cc1c[nH]c2ccccc12)N=C1NS(=O)(=O)c2ccccc21 1869928416 WRWUGUPMLJIHOE-NRFANRHFSA-N 468.579 2.439 30 10 JEEE Cc1cc(-n2nnc(C#N)c2NC(=O)CN2C(=O)c3ccccc3C2=O)ccc1Br 1870143953 IUDSOQDQJXJXOI-UHFFFAOYSA-N 465.267 2.445 30 10 JEEE C=CCOc1cn(CCCO)c(CNc2ccc(C(=O)NCCN(CC)CC)cc2)cc1=O 1870811438 ZMFMZZUNQCKKFF-UHFFFAOYSA-N 456.587 2.479 30 10 JEEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)NCCCN1CCOCC1)n2CCCOC 1873589807 YVZZMIWVCXQGHV-UHFFFAOYSA-N 456.591 2.098 30 10 JEEE C=CCn1c(C(=O)NCCN2CCOCC2)cc2c(N3CCN(c4ccccc4)CC3)ncnc21 1873594338 QZVAHQBXCWUUMD-UHFFFAOYSA-N 475.597 2.006 30 10 JEEE C=CCn1c(C(=O)Nc2ccc(OC)cc2C)cc2c(N3CCN(CCO)CC3)ncnc21 1873661418 QUWUDWCQGIHFOT-UHFFFAOYSA-N 450.543 2.301 30 10 JEEE Cc1cc(N2CCN(C(=O)[C@H]3SCC(=O)N(C(C)C)[C@H]3c3ccc(C#N)cc3)CC2)ncn1 1889547118 UJPVCCSEUZIFFH-GOTSBHOMSA-N 464.595 2.399 30 10 JEEE CC(C)N1C(=O)CS[C@H](C(=O)N2CC(Cn3nc4c(cc3=O)CCC4)C2)[C@H]1c1ccc(C#N)cc1 1889648350 ZBKYIYIBNJNQGF-RPBOFIJWSA-N 491.617 2.156 30 10 JEEE COc1cccc(S(=O)(=O)NCc2ccc(C(=O)N3CCC[C@@H]3C#CCN(C)C)cc2)c1 1891596503 MWUBAGKTXWOJHR-NRFANRHFSA-N 455.580 2.343 30 10 JEEE Cc1nc(I)c(NC(=O)[C@@H](C#N)C2CC2)c(I)n1 2058132088 HBJWZYNHQSZELP-ZETCQYMHSA-N 468.036 2.483 30 10 JEEE CC(C)(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 2230873954 QJYUGNNJCOFTML-VUHPKUFZSA-N 465.591 2.273 30 10 JEEE CN(C(=O)OC(C)(C)C)C1CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2247953526 VHHHQPYXIAIZQV-UHFFFAOYSA-N 458.411 2.287 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2256619723 BEHCXSPEGLSVHN-CHWSQXEVSA-N 452.386 2.281 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@]2(NS(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2267468480 WBDRJHIENJCJLU-VFNWGFHPSA-N 484.449 2.476 30 10 JEEE CN1CCN(C(=O)OC(C)(C)C)[C@@H](CNC(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2267482190 ZVKSCGCLDJSULF-HNNXBMFYSA-N 465.425 2.328 30 10 JEEE CN([C@@H]1CCN(C(=O)OC(C)(C)C)C1)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2267707319 OPAJDCYWNFELCU-CQSZACIVSA-N 487.453 2.213 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CNS(=O)(=O)c3cc(B4OC(C)(C)C(C)(C)O4)cs3)[C@@H]2C1 2267710782 AZNYVDDRRKXOJV-MUJYYYPQSA-N 484.449 2.439 30 10 JEEE C[C@@H](CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(O)cc1O)N(C)C(=O)OC(C)(C)C 2267801977 MHDMHAHQKHVNGO-ZDUSSCGKSA-N 450.341 2.382 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(CNC(=O)[C@]2(NC(=O)OC(C)(C)C)C[C@@H](O)C2)s1 2268710032 GKMOWQYHISSLMX-XLOAEROZSA-N 466.409 2.390 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N1CCc2sc(B3OC(C)(C)C(C)(C)O3)cc2C1 2268722707 GJMGOAFESNLECE-OAHLLOKOSA-N 466.409 2.208 30 10 JEEE CC(C)(C)OC(=O)N1[C@H](CNC(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)C[C@H]2OCC[C@H]21 2281831541 CXTHFPVJBNZXCF-GVDBMIGSSA-N 462.352 2.476 30 10 JEEE CN(CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)C(=O)[C@H]1C[C@H](B2OC(C)(C)C(C)(C)O2)C1 2281952173 SSBSOPQOULDWNA-QAQDUYKDSA-N 465.400 2.397 30 10 JEEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCCN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282179438 MUBDDSMPPPAHQM-CABCVRRESA-N 463.388 2.022 30 10 JEEE CC[C@@](C)(CNC(=O)OC(C)(C)C)N(C)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282329720 QMFVEPDPTKAZPX-NRFANRHFSA-N 486.444 2.033 30 10 JEEE CC[C@@H]1[C@@H](NS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CCN1C(=O)OC(C)(C)C 2282347947 FMCVPPHEJXWMAS-ZWKOTPCHSA-N 481.424 2.447 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NN1CCN(C(=O)OC(C)(C)C)CC1 2282550941 GKMUWPZPMKJLME-UHFFFAOYSA-N 461.368 2.192 30 10 JEEE COC(=O)[C@@H](CCNC(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2282647771 GHOQYHSDTQBQNM-QGZVFWFLSA-N 462.352 2.172 30 10 JEEE CC(C)(C)OC(=O)NC1(C(=O)N2CCc3cc(B4OC(C)(C)C(C)(C)O4)ccc3C2)COC1 2284055201 PMZCRTPEYINRIW-UHFFFAOYSA-N 458.364 2.164 30 10 JEEE CC(C)(C)OC(=O)N1CCC(N2CC(C(=O)NCCC#CB3OC(C)(C)C(C)(C)O3)C2)CC1 2287041070 YFIXQSWELQOINW-UHFFFAOYSA-N 461.412 2.459 30 10 JEEE COc1ccc(CNC(=O)N2CC(NC(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2296180174 JQDROGZBQLKLKR-UHFFFAOYSA-N 461.368 2.413 30 10 JEEE CC(C)(C)OC(=O)NCCN(Cc1ccccc1)C[C@H](O)C#CC1(S(C)(=O)=O)CCC1 2302956237 XCBOWOBNSSUIOM-HXUWFJFHSA-N 450.601 2.345 30 10 JEEE CCOc1ccc(OCc2nnc(SCC(N)=O)n2N=Cc2cccc(OC)c2O)cc1 2326652520 IHNRZPFLXHQCKF-UHFFFAOYSA-N 457.512 2.430 30 10 JEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2337396170 JWIXVPQFZYPLHE-LSDHHAIUSA-N 467.397 2.197 30 10 JEEE CC(C)(C)OC(=O)N1C[C@](C(=O)O)(N2CCN(Cc3ccccc3)[C@H](C#N)C2)C[C@@]12CCOC2 2373502846 CDSVTCQLRNTJGN-NIJXNBFTSA-N 470.570 2.320 30 10 JEEE COc1ccc(CCNC(=O)Cc2ccc(/N=C3\N[C@H]4CS(=O)(=O)C[C@H]4S3)cc2)cc1OC 20354769 NYRXQCITAVANOY-GHTZIAJQSA-N 489.619 2.095 30 10 JEEE COc1ccc(F)cc1/C(O)=C1/C(=O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1cccnc1 102750994 ZCZZNXYFPUZARS-SADKCHQCSA-N 455.486 2.373 30 10 JEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Nc2ccc3c(c2)CCCC(=O)N3)CC1 491411078 XEYRYGJRLAHSKG-UHFFFAOYSA-N 453.524 2.371 30 10 JEEE C#CCn1ccc(CN(CC)C(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)cc2)n1 1197085356 ZAHIQJYZTDJIFT-HDICACEKSA-N 459.572 2.368 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCOC(C)(C)C1 1286295195 HVLPUDZLMYLDJJ-RTBURBONSA-N 476.622 2.155 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCCN(CC(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1286386921 JWGIEMHIBWIXMJ-WOJBJXKFSA-N 458.632 2.268 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@H](c1ccc(F)cc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1286387686 UCRZPSHFMQUAKJ-RBBKRZOGSA-N 484.601 2.352 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H](C)Oc1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1286393124 KDDFGEKCVQQJIO-XUVXKRRUSA-N 488.610 2.275 30 10 JEEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1CCCNc1ccc(C(F)(F)F)cn1 1286416558 SMYGYKYFSWIOPO-UHFFFAOYSA-N 459.476 2.389 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ncn(C)n1 1286455055 RGQGCKVUECBPFR-QHCPKHFHSA-N 453.522 2.274 30 10 JEEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(C(F)(F)F)c1 1286457824 WWFWQUHXJVSVAN-AWEZNQCLSA-N 459.494 2.041 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccc3C)n2C[C@@]2(O)CCO[C@H]2C)n1 1286471367 LPQPOLYCGVKPRN-CPJSRVTESA-N 464.570 2.276 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2CC(C)(C)O)CC1 1286489007 BMUTTZURHHHVSI-UHFFFAOYSA-N 490.402 2.453 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2cn(C)nc2-c2ccccc2)CC1 1286492421 KXLCUOJVZJWKQW-UHFFFAOYSA-N 461.570 2.229 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1286563447 CVXZWYSRAIOQAA-RXVVDRJESA-N 454.579 2.036 30 10 JEEE C=CC1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCCn2cnnn2)CC1 1286652378 XAEAJIKJRTUZJP-UHFFFAOYSA-N 455.954 2.341 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1286779148 FMQLCXCBBBMACN-OAHLLOKOSA-N 494.394 2.063 30 10 JEEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCS[C@H](CC)C1 1286788125 QLOYCUMLKFEZHB-GOSISDBHSA-N 456.620 2.086 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccc3C)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1286808780 XSOWDZWUQZLGMF-TZIWHRDSSA-N 459.616 2.240 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1286816421 KRIUJKTXCFHPHD-SFHVURJKSA-N 492.005 2.005 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCC(Nc2cccnn2)CC1 1286821361 IODBMARVUZTLSP-UHFFFAOYSA-N 485.589 2.480 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCCN(C3CCCC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1286824528 DMOOJHRBUBOYGO-DEOSSOPVSA-N 495.690 2.374 30 10 JEEE CC(C)[C@@H]1CCCN1c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CCS(=O)(=O)CC1 1287248648 FEZINKXYELZIOT-FQEVSTJZSA-N 473.599 2.293 30 10 JEEE CC(C)NS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@H](C2CC2)C1 1288268026 AJMBPLAMDLUJBF-JXFKEZNVSA-N 458.588 2.148 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C2CC2)ccc1F 1300307867 JIQQIQDMKLGRQQ-QRWLVFNGSA-N 461.563 2.134 30 10 JEEE C#CCN(CC#C)c1nnc([C@H](C)OCCOC)n1C[C@@H]1C[C@@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1300512214 OQLRWBZBJMXNAA-JSXRDJHFSA-N 487.601 2.099 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2Cc2cc(OC)c(OC)c(OC)c2)CC1 1300695865 NETSXJUQNCYANJ-UHFFFAOYSA-N 462.554 2.478 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccccc2OCC)CC1 1300707881 LMAHLVNMIBUSPP-UHFFFAOYSA-N 464.595 2.472 30 10 JEEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(c2ccccn2)CC1 1300743617 VZJVELWTQWWFIN-UHFFFAOYSA-N 482.635 2.437 30 10 JEEE C=CCC(C)(C)Cn1c(Cc2ccncc2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1301154367 QRTVYPHGDVMCNF-OAQYLSRUSA-N 488.658 2.497 30 10 JEEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1301429329 WRQIJZXFSGGZAN-UHFFFAOYSA-N 486.020 2.182 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(Nc2cccnn2)CC1 1301576571 FAKGMDWIUXSZOQ-UHFFFAOYSA-N 489.005 2.465 30 10 JEEE CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C[C@H](C)O1 1306409035 HAQKMWCYPGOTKE-XKGZKEIXSA-N 458.588 2.102 30 10 JEEE CCCC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCc2cnn(C)n2)CC1 1306508082 AUJSETKZVMOIDK-UHFFFAOYSA-N 461.574 2.463 30 10 JEEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C(F)(F)F)cc1C 1358948921 OWKVYWFLYZNXTB-QGZVFWFLSA-N 471.505 2.056 30 10 JEEE C#CCN(C)c1nnc(COc2cc(C)cc(C)c2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1358952301 FRYIOCZFAAVJSE-QFIPXVFZSA-N 452.603 2.486 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H]1CCC[C@@H](O)C1)[C@H]1CCS(=O)(=O)C1 1358959316 GLAVHSLYFJGUJG-CEXWTWQISA-N 488.610 2.140 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1Cc1cccc(COC)c1)[C@@H]1CCS(=O)(=O)C1 1358965217 QFMGXFAHWNCPPY-OAQYLSRUSA-N 485.635 2.455 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2ccccn2)n1Cc1ccc(CN2CCC(O)CC2)cc1 1358980466 WAJGUKIVGBTZQS-UHFFFAOYSA-N 454.578 2.342 30 10 JEEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)c1ccc2c(c1)OCCO2 1359000373 TXNRXKPAEADTSR-INIZCTEOSA-N 461.588 2.097 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCS(=O)(=O)C1 1359014546 MUAUWEGNOQFRPA-IRXDYDNUSA-N 451.593 2.244 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CCN(CC)C(=O)OC(C)(C)C)CC1 1359046573 XIUWJZVCCABFEM-UHFFFAOYSA-N 495.628 2.487 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2Cc2cnccc2OC)CC1 1359047112 RDTWTLZGYCOWKY-UHFFFAOYSA-N 474.565 2.317 30 10 JEEE C=CCCCCn1c(-c2ccccn2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1359200695 NUFHTHTVBWXYRG-IBGZPJMESA-N 460.604 2.327 30 10 JEEE C=CCN(c1nnc(-c2ccc(OC)cc2OC)n1CC1(O)CCS(=O)(=O)CC1)C1CC1 1359248095 AHJVWQFPSNMVAE-UHFFFAOYSA-N 462.572 2.057 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCN(CC(C)C)C1)C1CC1 1359251444 LNEVGZFZZDQNPZ-CTNGQTDRSA-N 480.679 2.134 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1359328951 TWXDLCDBPVLPBR-GOSISDBHSA-N 475.615 2.248 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1359334501 IGNWJPNNLRQUHS-OALUTQOASA-N 472.615 2.248 30 10 JEEE C=CCn1cc(C(=O)NC[C@H]2CCCN2Cc2ccc(I)cc2)nn1 1459546894 JOEAZKGEKPRXPE-MRXNPFEDSA-N 451.312 2.463 30 10 JEEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@@H]1CCCN1C(=O)/C=C\c1ccc(C(N)=O)cc1 1467932481 MRTLWGWJSFIENB-MQHMHSRESA-N 451.523 2.480 30 10 JEEE COC[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1504677554 ICQFHWFHQKJZQB-UYAOXDASSA-N 458.588 2.104 30 10 JEEE C#CCN(c1nnc(C2CC2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1507631919 UYYTZRZSUAWXSX-RDJZCZTQSA-N 451.593 2.038 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@H](c1ccco1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1507632633 OOTCRTLPALOEHX-GGPKGHCWSA-N 461.588 2.042 30 10 JEEE C#CCN(c1nnc(CSc2ccc(C)cc2)n1CC[S@@](=O)CC)[C@@H]1CCS(=O)(=O)C1 1507638409 QMBDPIPLZGHVOM-JJCDCTGGSA-N 480.681 2.274 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1Cc1ccc(S(C)(=O)=O)cc1 1507655791 BGQZIZWKCGGBRK-UHFFFAOYSA-N 458.547 2.041 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCN(C2CC2)C1 1507662215 FTRIXLVUBNUYLG-LJQANCHMSA-N 451.596 2.296 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(Br)s2)n1CCC[C@@H]1NC(=O)NC1=O 1507664366 QHLVATNTWKXLNK-ZDUSSCGKSA-N 475.372 2.220 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC[S@@](=O)C(C)(C)C)CC1 1507722645 CUEZUGFCDCDNTK-JGCGQSQUSA-N 459.616 2.265 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@]1(O)CCN(C)C1 1507769003 ZWVYPPTXEMCRCN-QTLGCAHFSA-N 472.634 2.451 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1508135331 HZERFOFVXRNDJW-HTZLVSCSSA-N 476.599 2.160 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCO[C@H](C(F)(F)F)C1 1508141670 XEEDBYIYAGPXGE-SFHVURJKSA-N 496.515 2.499 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCC[C@@H](C(F)F)C2)nnc1[C@@]1(OC(C)C)CCOC1 1508149758 WYGWRBJGYAIZSX-OXQOHEQNSA-N 462.563 2.401 30 10 JEEE CC(C)C(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCOCC2)CC1 1508758065 GDCATRYNVKJFMN-UHFFFAOYSA-N 452.559 2.053 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2Cc2nnc(CC)s2)c1 1539042010 BFEUULAZIGRAOX-MRXNPFEDSA-N 451.556 2.300 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CCC(F)(F)C1)[C@@H]1CCS(=O)(=O)C1 1539202996 MLBXUVUWCREKQW-NVXWUHKLSA-N 471.574 2.259 30 10 JEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1CCC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1539218815 DPRWJFUSHOJFAM-GOSISDBHSA-N 450.992 2.310 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1ccc(C)cc1F)[C@@H]1CCS(=O)(=O)C1 1539226496 ZGGSIDZQFHKJFQ-HXUWFJFHSA-N 453.543 2.386 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCc2nccn2C1 1539385027 UOJLBKFHXGIKOF-MJGOQNOKSA-N 485.589 2.126 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCCO[C@@H]2C(C)C)CC1 1539466734 FIZGGHANCFMEPA-RBBKRZOGSA-N 493.612 2.342 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2cccc(OCCN(C)C)c2)CC1 1539480723 DVHUYPDUFXJYBI-DEOSSOPVSA-N 494.640 2.474 30 10 JEEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1539520514 SAMBQTFDROGDPQ-HXUWFJFHSA-N 481.670 2.200 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccccc2OC)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1539643722 XMAYJWNWCWYDTP-ZVVFGRKBSA-N 486.569 2.207 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1CCCN(Cc2ccccc2)C1 1539704798 IZWLGMVKMRCBCM-FCHUYYIVSA-N 488.658 2.288 30 10 JEEE C=CCCOCCn1c([C@H]2CCCCO2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1540036018 JPNVARHLIXRZBL-LEWJYISDSA-N 460.623 2.245 30 10 JEEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CC1(N2CCOCC2)CCCCC1 1540189391 RGCDSLCADCYHES-UHFFFAOYSA-N 460.623 2.188 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](c2ccc(C)o2)N2CCOCC2)C1 1540881541 LZAMJLHBOANSPT-VQTJNVASSA-N 472.590 2.173 30 10 JEEE CC[C@@H](C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](CNC(C)=O)C1 1545691394 AMUGWFFEUYNPQM-YLJYHZDGSA-N 451.575 2.474 30 10 JEEE CCCn1nc(-c2nnc(N(C)[C@@H](C)CC#N)n2CC(=O)NCC(F)(F)F)c2ccccc2c1=O 1547212504 BKQAHCDCWKBURU-AWEZNQCLSA-N 490.490 2.482 30 10 JEEE C#CCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1587719185 VFGSZSQDGQMQDA-JOCHJYFZSA-N 482.610 2.251 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@H]1CCCN(CC(C)C)C1)[C@H]1CCS(=O)(=O)C1 1588045202 HBMQDLHQVVQTSR-SFTDATJTSA-N 472.659 2.278 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2CC2(S(C)(=O)=O)CC2)CC1 1588742779 UXHZJTHJZPGQSG-IBGZPJMESA-N 487.626 2.149 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2OC)n1CCS(=O)(=O)N(C)C 1589177522 JYONAAKMPWLXTB-HXUWFJFHSA-N 451.980 2.491 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1589482444 JXCSCHJGOSKOOA-HOJAQTOUSA-N 457.579 2.192 30 10 JEEE C=C(Cl)Cn1c(COc2cc(C)ccc2C)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1593914077 AECQGOREBZRDOV-UHFFFAOYSA-N 472.977 2.154 30 10 JEEE C=CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)CC[C@H]2C1 1594733356 RNFHVSGTEWOGCG-ZWKOTPCHSA-N 460.579 2.364 30 10 JEEE C=CCOc1ccccc1Cn1c(-c2cccn2C)nnc1N1CCO[C@@H](CNC(C)=O)C1 1595648931 JRRLGDJSSQPPKB-FQEVSTJZSA-N 450.543 2.238 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C2CCC1(C)CC2 1595766821 YDSDVBKWWVBTRV-UHFFFAOYSA-N 493.655 2.318 30 10 JEEE C[C@@H](CC(=O)NCc1nccn1CCc1ccccc1)/N=C1/NS(=O)(=O)c2ccccc21 1630906076 FURUZIZHSQTTCL-KRWDZBQOSA-N 451.552 2.259 30 10 JEEE C=CCN(C)CCN(CC)C(=O)CN1C(=O)N[C@@](C)(c2ccc(Br)cc2)C1=O 1634640342 BTGGOLGVYGKWJG-FQEVSTJZSA-N 451.365 2.182 30 10 JEEE C#CCn1cc(CNC(=O)[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)[C@@H](C)O)cn1 1635750044 WYCQEFBXWURHHF-OSPHWJPCSA-N 458.518 2.421 30 10 JEEE COc1ccc(C(=O)N2CCN(S(=O)(=O)c3cccc(C)c3C#N)CC2)c(OC)c1OC 1654439031 DPZQZYRUQHFCTI-UHFFFAOYSA-N 459.524 2.039 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OCC)CCOC3)n2C[C@@H]2CCCOC2)c1 1689868767 QEQYNVCZOBUTSW-CPJSRVTESA-N 467.570 2.413 30 10 JEEE C#CCN(C)c1nnc(-c2ccc(OC)cc2OC)n1CCCN1C(=O)NC2(CCCC2)C1=O 1689955910 YJSAXOTWZNVTJC-UHFFFAOYSA-N 466.542 2.286 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CCc1ccc2c(c1)CCO2)[C@H]1CCS(=O)(=O)C1 1689978323 SGTVDZBSWQSEHJ-NRFANRHFSA-N 499.637 2.001 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccc(OC(F)(F)F)cc1)[C@H]1CCS(=O)(=O)C1 1689991330 ZTHHUPKVEPFMQA-IRXDYDNUSA-N 484.500 2.356 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCSC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1689997311 ZUVGGOADEBVDQB-HNNXBMFYSA-N 476.550 2.019 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2Cc2ncccc2N(C)C)CC1 1690114647 BUEMUNYJSQMJBQ-UHFFFAOYSA-N 491.596 2.235 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1CCNC(=O)Cc1cccc(F)c1 1690195565 MITHSNJFYJMQFS-JWQCQUIFSA-N 469.561 2.420 30 10 JEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@](C)(O)c2cc(C)oc2C)CC1 1690397045 UICFGDADRUQMOI-BTYIYWSLSA-N 451.593 2.408 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1690675299 VREAAEZAYXGTPV-IBGZPJMESA-N 494.600 2.351 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N(C)[C@@H](C)c1cccc(N2CCOC2=O)c1 1690722490 LFPAMULIVBQMSV-KRWDZBQOSA-N 497.581 2.490 30 10 JEEE Cc1nc(N2CCOCC2)sc1-c1nnc(N(C)C[C@@H](C)C#N)n1CC1([S@](C)=O)CCC1 1692911451 CLGXNPAMQCMARI-ZZQXMTQJSA-N 477.660 2.444 30 10 JEEE C#CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CC(=O)NC(C)C 1705516539 DEWFQCZLPVVYQC-SFHVURJKSA-N 462.595 2.351 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CC(C)(C)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 1705564688 DSRHWHIHDOJIHI-PMACEKPBSA-N 463.648 2.063 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H](N1CCOCC1)C(F)(F)F 1705575385 JCYBMQDUWFKDTA-QGZVFWFLSA-N 499.335 2.382 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3)n2CCC2(O)CCOCC2)CC1 1705635957 SNIQKMJHFWJQFJ-UHFFFAOYSA-N 474.403 2.394 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCNC(=O)OC(C)(C)C)CC1 1705648147 OQGQAGKTWGEYEN-GOSISDBHSA-N 460.579 2.010 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCc1cccs1 1705700190 PUVIHEJRWGVMPL-RLLQIKCJSA-N 495.671 2.333 30 10 JEEE C=C(C)COCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1705732200 QZHNCJTXOLFQDC-OAQYLSRUSA-N 470.599 2.414 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1ccco1 1705868235 GPDRZOPSQBREJD-INIZCTEOSA-N 475.596 2.457 30 10 JEEE C=CCN(CC=C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@]1(O)CCOC1 1705873313 DINYBJGQWAQKAZ-DEOSSOPVSA-N 450.543 2.395 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1705896688 VDFGMGOUKLTYKU-UHFFFAOYSA-N 480.529 2.083 30 10 JEEE C=CCOc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCCN(CCC)C(=O)C2)cc1 1705911183 APVFJFXQVAPNEH-FQEVSTJZSA-N 487.626 2.242 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](c2cccc(OC)c2)C1 1705935831 DTDIEVPJOLHALV-TZIWHRDSSA-N 476.599 2.359 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 1705938748 IKXLPAKKEFVXPX-VQIMIIECSA-N 482.628 2.331 30 10 JEEE CC(=O)N1CCC(Cn2c(CC(C)C)nnc2N2CCN(c3nccnc3C#N)C[C@@H]2C)CC1 1705968949 GFOGEEUYBQVQKQ-SFHVURJKSA-N 465.606 2.112 30 10 JEEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CC(F)(F)CO2)[C@H](C)C1 1705998179 VRVHQFMRGRBYPU-DNVCBOLYSA-N 460.485 2.210 30 10 JEEE CCO[C@@]1(c2nnc(N(C)Cc3ccc(C#N)cc3)n2CCCN2CCOCC2)CCOC1 1710427312 BQVPPVGCFZHOCB-DEOSSOPVSA-N 454.575 2.161 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2C[C@@H]2CCCCS2(=O)=O)c1 1722304848 JOXJRNBDXHXSRJ-IBGZPJMESA-N 466.567 2.297 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCCO3)n2CC[C@H]2COCCO2)c1 1722308968 IDDQJVDQZCPFRE-SFTDATJTSA-N 453.543 2.381 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(OC)c(OCC)c(OC)c1 1722397170 OGFMHTJOGSIBRM-IBGZPJMESA-N 486.594 2.107 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1nnc(CC)s1 1722417548 LCYFSEPNVWAZBW-CQSZACIVSA-N 477.591 2.129 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CCn2cc(Br)cn2)CC1 1722447815 QKVKFCOPFXKLRX-UHFFFAOYSA-N 476.423 2.492 30 10 JEEE C#CCSCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(=O)COC)CC1 1722450907 DKSGNTWDMWGNFT-QGZVFWFLSA-N 461.563 2.219 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H](C(C)C)N2CCCC2)CC1 1722453045 NNJCDBVHJLXAMY-ZRBLBEILSA-N 486.661 2.088 30 10 JEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](c2cccc(OC)c2)C1 1722453471 UFUGIJFDJDUTSC-HXUWFJFHSA-N 455.584 2.467 30 10 JEEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1722457607 HFDLOTRAQSSEFQ-UHFFFAOYSA-N 450.547 2.382 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2(CCOC)CCC2)CC1 1722580647 FLANMEAVQWXHJZ-LJQANCHMSA-N 467.636 2.220 30 10 JEEE C=CCSCCn1c(Cc2ccccc2F)nnc1N1CCC(NS(C)(=O)=O)CC1 1722741159 BKPNSSZSBINRJQ-UHFFFAOYSA-N 453.609 2.445 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1722750845 PPVZCGQVTLRGHV-KRWDZBQOSA-N 498.696 2.500 30 10 JEEE COC(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@](C)(O)c2ccco2)C1 1729777130 BFFCBIHCICVLRF-HXOBKFHXSA-N 451.483 2.229 30 10 JEEE COC(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@](C)(O)c2ccco2)C1 1729777132 BFFCBIHCICVLRF-UZUQRXQVSA-N 451.483 2.229 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CC(C)(C)N2C[C@@H](C)O[C@H](C)C2)CC1 1740704226 KCYYFTLYNMZNEG-WOJBJXKFSA-N 479.629 2.194 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2Cc2cc(C)nn2C)CC1 1740707764 OYVGWNMCEUSUDK-UHFFFAOYSA-N 465.533 2.052 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1740710570 ZQEYQAJTBKSZTB-PKOBYXMFSA-N 452.584 2.228 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C1CCCCC1)N(C)C 1740732299 YKZIYQCOOTUCLK-ZFGGDYGUSA-N 492.690 2.114 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(OCC(N)=O)CC1 1740752950 CYEXTIQXPHNQGK-DYESRHJHSA-N 470.530 2.305 30 10 JEEE C=CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)NC[C@H]2C1 1740863029 MDSPCMITVQEMKD-ROUUACIJSA-N 475.594 2.157 30 10 JEEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1740996209 IVZAWKFTATVLSI-INIZCTEOSA-N 493.634 2.145 30 10 JEEE CC(C)CN1CCO[C@H](Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)Cc2ccc(C#N)cc2)C1 1741571506 FSJHPRPSRIEJJF-SFTDATJTSA-N 451.575 2.094 30 10 JEEE CCCOc1ccc(-c2nnc(N3CCC(C#N)CC3)n2C[C@]2(O)CCS(=O)(=O)C2)cc1OC 1745804933 FOPACPOZIQZPPT-HSZRJFAPSA-N 489.598 2.032 30 10 JEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@@H](C)c2nccs2)CC1 1748718787 SDKPYYGCQFZOSW-ROUUACIJSA-N 462.645 2.323 30 10 JEEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[C@H](C(F)F)N1CCOCC1 1748802305 BSSLASPJINHUMZ-FGTMMUONSA-N 482.576 2.474 30 10 JEEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1ccc(N2CCCC2)nc1)[C@H]1CCS(=O)(=O)C1 1748805190 PQLYHAFIIXPXAC-ICSRJNTNSA-N 456.616 2.462 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1Cc1cnn(CCOC)c1 1748841898 BLBSQGXIMJYYIB-UHFFFAOYSA-N 484.564 2.200 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OCC(C)C)cc1 1748929390 ISZULIRDZAVGGW-NRFANRHFSA-N 475.615 2.154 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H]2CCCCN2CCCC)CC1 1748979262 WVQYLZXGNGFKTD-RDGATRHJSA-N 458.651 2.340 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCC(=O)NC(C)C)CC1 1749006485 PBPALWWTHPDSIA-UHFFFAOYSA-N 487.004 2.488 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@H](c2ccccc2)N(C)C)CC1 1749008522 AUZQQYMAHHHKSH-JOCHJYFZSA-N 458.570 2.004 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2Cc2ccc([C@H](C)O)cc2)CC1 1749017066 UZCSXFKAAXYYEI-IBGZPJMESA-N 458.566 2.331 30 10 JEEE C#CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1749045199 XRRSJNNHGMPAHN-UHFFFAOYSA-N 480.642 2.467 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1749135877 JCHFCTDMGZXJKO-HSJYVMOXSA-N 481.553 2.070 30 10 JEEE C=CC1CCN(c2nnc(CCN3CCN(c4ccccc4)CC3)n2CC(=O)N(C)C)CC1 1749345643 PATSLZHBENCTLE-UHFFFAOYSA-N 451.619 2.133 30 10 JEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC(F)(F)F)cc1 1749489506 WUCZJEYQMJLUKS-MRXNPFEDSA-N 475.493 2.180 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C)no1 1749546878 GACZFKNKTCDDRJ-HXUWFJFHSA-N 490.561 2.287 30 10 JEEE C=CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1749616318 YKOCFNTTXFYVEE-HNNXBMFYSA-N 458.950 2.185 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1749650019 HDZFAELXBPQFMC-ICSRJNTNSA-N 452.559 2.455 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1749664638 VESQKSCRAKPEJG-UHFFFAOYSA-N 470.471 2.278 30 10 JEEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)Cc1cccc(C#N)c1 1749666616 NXWFMLVBFOZKFJ-UHFFFAOYSA-N 478.582 2.048 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](c2nc(C(C)C)cs2)C1 1749670217 OVNHLWULANARHV-CVEARBPZSA-N 457.604 2.495 30 10 JEEE C#CCCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1760134060 YJSZZXYEZJRHLS-SFHVURJKSA-N 459.572 2.038 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H](C)CN1CCOCC1 1760216194 DPWPYFZBWACWEU-LJQANCHMSA-N 459.554 2.025 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3)n2CC[S@](=O)CC)CC1 1760256511 YKTLVCQDKKZBKF-HHHXNRCGSA-N 450.406 2.231 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCOCCC=C)CC1 1760268103 CIFIEEONACXHBK-UHFFFAOYSA-N 475.553 2.152 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@H](N2CCCCC2)C1 1760514526 IKFCYKIBDYVJAG-FQEVSTJZSA-N 486.020 2.228 30 10 JEEE CC[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1)OC 1762365983 DAYSYZZWPOFQHO-QZTJIDSGSA-N 493.033 2.457 30 10 JEEE CCC[C@H](C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(S(C)(=O)=O)CC1 1765471315 FSINAHSWHXXTDG-KRWDZBQOSA-N 472.615 2.383 30 10 JEEE CN(Cc1cccc(C#N)c1)c1nnc(Cc2ccncc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1768659238 ALRVCBNQYZCNPB-NRFANRHFSA-N 465.583 2.053 30 10 JEEE COc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@](C)(C#N)C2)c(OC)c1OC 1770199551 GGGQJWIONFDAMA-QRQCRPRQSA-N 492.602 2.092 30 10 JEEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)C(C)(C)C)C[C@@H]1C 1771137432 AYEPSMLTQYXFDP-SFHVURJKSA-N 474.631 2.187 30 10 JEEE O=C(NCc1ccc(O)cc1)[C@@H](Cc1ccc(F)cc1)N=C1NS(=O)(=O)c2ccccc21 1869934050 XGHSJTGVUYJQLD-HXUWFJFHSA-N 453.495 2.498 30 10 JEEE N#Cc1nnn(-c2cccc(C(F)(F)F)c2)c1NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1870155329 HQNLIRDJBFTHSC-UHFFFAOYSA-N 485.338 2.301 30 10 JEEE CCCCOCCCNC(=O)Cc1nonc1OCC(=O)Nc1sc2c(c1C#N)CCC2 1872649809 PGNQTYFFEQIABN-UHFFFAOYSA-N 461.544 2.374 30 10 JEEE CC(C)N1C(=O)CS[C@H](C(=O)N2CCN(c3ccnc(N(C)C)n3)CC2)[C@@H]1c1ccc(C#N)cc1 1889638143 MNPZMWHMFWGOBE-GOTSBHOMSA-N 493.637 2.157 30 10 JEEE CC1=C(B2OC(C)(C)C(C)(C)O2)CN(C(=O)[C@@H](CCC(N)=O)NC(=O)OC(C)(C)C)CC1 2141247480 IMFIRJDVMNVRTI-MRXNPFEDSA-N 451.373 2.325 30 10 JEEE CC(C)(C)OC(=O)NCC1(O)CC(C(=O)NCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2185152252 VHKRFNZUKGDESV-UHFFFAOYSA-N 460.380 2.268 30 10 JEEE Cc1sc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)cc1B1OC(C)(C)C(C)(C)O1 2255608498 MHMPLOXOHKUCMO-LSDHHAIUSA-N 452.382 2.066 30 10 JEEE CC(C)(C)OC(=O)NCCNS(=O)(=O)c1c(F)cc(F)cc1B1OC(C)(C)C(C)(C)O1 2255795031 RMMQPQCFGHESTH-UHFFFAOYSA-N 462.324 2.067 30 10 JEEE CC(C)(C)OC(=O)N1CC(O)(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(Cl)s2)C1 2255842425 RIPXSIOUCXSTIT-UHFFFAOYSA-N 472.800 2.412 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)[C@@H](O)C1 2255878640 BSIZGRQSMDBXDN-KBPBESRZSA-N 452.382 2.147 30 10 JEEE CC(C)(C)OC(=O)N1CC([C@@H](F)C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C1 2256624021 TZAUPBNZCOGAPA-OAHLLOKOSA-N 455.361 2.264 30 10 JEEE CN(C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2256682450 ZKXCYBKBIPIBCC-CYBMUJFWSA-N 454.402 2.226 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)[C@H](CO)C1 2267126326 LAYOKCJWMMQAKY-GOEBONIOSA-N 466.409 2.395 30 10 JEEE C=C(CS(=O)(=O)NCCN1CCC(NC(=O)OC(C)(C)C)CC1)B1OC(C)(C)C(C)(C)O1 2267470821 OUMOFCIRSCORHS-UHFFFAOYSA-N 473.445 2.083 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2C[C@H]1[C@H]2NC(=O)OCc1ccccc1 2267523963 IZJGPSQKNKLBCY-HOJAQTOUSA-N 480.374 2.342 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CO)CNC(=O)c1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1Cl 2267809176 IHPGPVMYCJNVTL-LBPRGKRZSA-N 472.750 2.394 30 10 JEEE CC(C)(C)OC(=O)N(CC(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1)[C@@H]1CCOC1 2272568888 KDOQVNBAHIDATP-CQSZACIVSA-N 467.397 2.085 30 10 JEEE Cc1c(C(=O)N[C@@H]2C[C@@H](F)CN(C(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281794696 KDYYSXKNSRAGCL-HUUCEWRRSA-N 466.363 2.105 30 10 JEEE Cc1c(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C23CC3)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281978358 BTCKDYNQQAGLDW-HNNXBMFYSA-N 460.384 2.300 30 10 JEEE Cc1cc(C(=O)NCC[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)oc1B1OC(C)(C)C(C)(C)O1 2281980067 IDAYQVVKNJTXEU-HSZRJFAPSA-N 464.368 2.379 30 10 JEEE Cc1c(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@H]2C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281984684 DSHWYTQJBAVOAI-CABCVRRESA-N 462.400 2.498 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@H](C(C)(C)NC(=O)OC(C)(C)C)C1 2282021779 BSCXYEIROXRRIL-HNNXBMFYSA-N 462.400 2.485 30 10 JEEE COCC1(NC(=O)OC(C)(C)C)CC(NC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2282173116 FHNSQIKNVPWBOM-UHFFFAOYSA-N 461.368 2.183 30 10 JEEE CC[C@@H]1CC[C@@H](NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CN1C(=O)OC(C)(C)C 2282173619 AHFZGZBYLIIEKA-HUUCEWRRSA-N 463.388 2.022 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@]2(NS(=O)(=O)Cc2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2282500697 ZWFMUPBPOZDQFB-GAJHUEQPSA-N 478.420 2.415 30 10 JEEE CCn1cc(C(=O)NC[C@H](NC(=O)OC(C)(C)C)C(F)(F)F)nc1B1OC(C)(C)C(C)(C)O1 2282539568 WINHYBYKGNRXRQ-ZDUSSCGKSA-N 476.305 2.388 30 10 JEEE CC1(C)OB(c2ccc(C(=O)NC[C@@H]3COCCN3Cc3ccccc3)c(O)c2)OC1(C)C 2282883100 VVKHXSWLKIWCRO-HXUWFJFHSA-N 452.360 2.322 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CC1(F)F 2283066866 BXLLUFDBPNNYCP-CYBMUJFWSA-N 468.310 2.150 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](O)C[C@H]1C(=O)NCc1ccccc1B1OC(C)(C)C(C)(C)O1 2283985991 NVHPVSFPUWLBKP-MJGOQNOKSA-N 460.380 2.362 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)N2Cc3cccc(B4OC(C)(C)C(C)(C)O4)c3C2)C1 2284046075 VMHMPEKLRAPLNM-DEOSSOPVSA-N 458.364 2.200 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H](CO)C(=O)N1CCCc2cc(B3OC(C)(C)C(C)(C)O3)ccc21 2284047358 HXZIQWVCDJAFJY-KRWDZBQOSA-N 460.380 2.398 30 10 JEEE Cn1nc(C(=O)N2C[C@H]3C[C@]3(CNC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2288253380 WSJLYQBPMXXWKN-DMZKTXOQSA-N 480.802 2.360 30 10 JEEE CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2289801084 WNSJVPDPEJCWJO-AWEZNQCLSA-N 483.396 2.320 30 10 JEEE Cc1ccc(CNC(=O)[C@H](NC(=O)OC(C)(C)C)C2COC2)cc1B1OC(C)(C)C(C)(C)O1 2296178886 TWDJOXSZWYHWGW-LJQANCHMSA-N 460.380 2.450 30 10 JEEE O=C(N[C@@H]1CCNC[C@@H]1C(=O)C=Cc1ccc([N+](=O)[O-])cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 2328198346 VSUISZQAVPAPCJ-RBUKOAKNSA-N 469.410 2.402 30 10 JEEE COCCc1nnc(SCC(=O)OC)n1N=Cc1cc(Br)cc(OC)c1O 2331293535 WFTAVDFLKAKYAY-UHFFFAOYSA-N 459.322 2.091 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](OCCNC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C1 2337394850 RHDRJZKYADJRHB-CQSZACIVSA-N 467.397 2.198 30 10 JEEE CC1(C)OB(c2cccc(S(=O)(=O)N[C@@H](CCO)COCc3ccccc3)c2)OC1(C)C 2343583074 IYADLVRWXAARCN-FQEVSTJZSA-N 461.389 2.232 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1[C@@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2 2359278779 FDSOOTHOOQHTJF-HLLBOEOZSA-N 460.384 2.187 30 10 JEEE CC(C)(C)OC(=O)N1CCn2[nH]c(=NC(=O)c3cnsc3B3OC(C)(C)C(C)(C)O3)cc2C1 2362576039 CAJKVYFYEZSSTK-UHFFFAOYSA-N 475.380 2.064 30 10 JEEE O=C(c1ccc(/N=C2/N[C@@H]3CS(=O)(=O)C[C@@H]3S2)cc1)N1CCN(c2ccccc2)CC1 2686735 NOAGRCLNIVSRSG-UXHICEINSA-N 456.593 2.139 30 10 JEEE CCOC(=O)[C@@H]1C(c2ccc(C#N)cc2)[C@@H](C(=O)OCC)[C@@](O)(C(F)(F)F)N[C@@]1(O)C(F)(F)F 13467582 XJBOQDHLLNCDHU-BXTCMNFTSA-N 498.376 2.105 30 10 JEEE COc1ccc(CNC(=O)CSc2n[nH]c(N/N=C/c3cccc(OC)c3O)n2)cc1OC 59016813 VNAWYOIDLROVKP-FOKLQQMPSA-N 472.527 2.391 30 10 JEEE C=CCN1C(=O)C(=c2sc3n(c2=O)[C@H](c2ccccc2)C(C(=O)OC)=C(C)N=3)c2ccccc21 254490873 HQKDEWMNPISEGR-OAQYLSRUSA-N 471.538 2.311 30 10 JEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(OC)c2OC)c(=O)n1-c1ccccc1C 603800044 QHIHGWWLIZKHSU-UHFFFAOYSA-N 491.569 2.039 30 10 JEEE C#CCNC(=O)CN1CCN(C(=O)c2ccc(COc3ccc4c(C)cc(=O)oc4c3)cc2)CC1 728534478 MSBBEAJIODVUBU-UHFFFAOYSA-N 473.529 2.188 30 10 JEEE C/C=C/C[C@H](C)[C@H](OC(C)=O)[C@H](C=O)N(C)C(=O)[C@H](NC(=O)[C@@H](CC(C)C)NC)C(C)C 1083142265 JAUFAMFQTMVIEO-UFKITERLSA-N 453.624 2.321 30 10 JEEE C=CCN(C(=O)c1cc2c(=O)n(C)c(=O)n(C)c2s1)[C@@H](Cc1ccccc1)C(=O)OCC 1128003306 LDHNPKNIVLJPCP-KRWDZBQOSA-N 455.536 2.101 30 10 JEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCc2ccccc2CN2CC[C@@H](O)C2)cc1 1214687092 MTSPCTXIGKFKCF-OAQYLSRUSA-N 458.584 2.381 30 10 JEEE C#CCn1ccc(CN(CC)C(=O)N[C@@H]2CC3(CN(C(=O)OC(C)(C)C)C3)n3ccnc32)n1 1251324017 FHXHEOZYZYTSTC-GOSISDBHSA-N 453.547 2.335 30 10 JEEE C#CCCCn1c(Cc2ccccc2C)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1286350454 DZQSZYVZBBRURP-UHFFFAOYSA-N 481.626 2.144 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(OC)c(OC(F)F)c1 1286431685 QLTJDKZNWMCSLZ-GOSISDBHSA-N 492.548 2.496 30 10 JEEE C=C(Br)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(C)=O)CC1 1286540516 BKFQMNLQOIFFCU-MRXNPFEDSA-N 499.410 2.164 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC2(CC1)OC(=O)NC21CCC1 1286668755 UQBKYFOWCSLHMA-MRXNPFEDSA-N 480.635 2.492 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CCC2(CC1)CNC(=O)C2 1286779663 LEZADUYBGFHUGW-UHFFFAOYSA-N 473.375 2.116 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1286782716 DCWKPBXFMCHDDN-CYBMUJFWSA-N 458.371 2.177 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CC[C@](O)(Cc2cccc(Cl)c2)C1 1286788789 GHBFMIDBUGJPGP-DEOSSOPVSA-N 466.973 2.403 30 10 JEEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1 1286792884 KSYOMGZGVAYGNR-INIZCTEOSA-N 450.584 2.246 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@H](S(C)(=O)=O)C1 1286816197 CQNNEXWZJHBDJH-OALUTQOASA-N 496.655 2.259 30 10 JEEE CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nccs2)CC1 1291832248 GAGGTZOQUJSTPW-KRWDZBQOSA-N 464.599 2.358 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1CCCN1CCOCC1)[C@H]1CCS(=O)(=O)C1 1300488883 HPLQWGSUDYZFJL-SFHVURJKSA-N 496.008 2.087 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@H](C)Oc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1300497431 BKBSXQRCYMLCDR-RXVVDRJESA-N 483.569 2.497 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1cccc(C)c1)N1CCOCC1 1300630882 IPDXJIPSXJVHCI-YADHBBJMSA-N 471.627 2.022 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2Cc2nnc(CC)s2)CC1 1300682084 HDDRQDIAXGWJNB-UHFFFAOYSA-N 485.017 2.079 30 10 JEEE CO[C@@H]1COCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1300855411 FPBAIQIBSVFDRK-QHAWAJNXSA-N 473.599 2.272 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1300887731 GIDCZJXVELCQMO-IFMALSPDSA-N 459.616 2.474 30 10 JEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(COC(C)(C)C)on1)C1CC1 1301327420 RVYSWFMAIZNKMK-LJQANCHMSA-N 494.618 2.117 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(C)nc(N2CCCC2)c1 1301425173 TYRVBXXPIZPJJS-FQEVSTJZSA-N 474.631 2.171 30 10 JEEE C=CCS(=O)(=O)CCNC(=O)NCCN1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O 1312353033 AYABQKSYACFEBV-NTCAYCPXSA-N 457.961 2.276 30 10 JEEE COC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1)OC 1315792937 HFFDFLDXLXJPRX-NHCUHLMSSA-N 452.559 2.221 30 10 JEEE C#Cc1cccc(NC(=O)CNC(=O)Cc2nc(-c3ccc(S(C)(=O)=O)cc3)cs2)c1 1351038384 IFHMPLONRIIBEW-UHFFFAOYSA-N 453.545 2.492 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC1(CS(C)(=O)=O)CC1 1358876982 USVLZJHMTJNKTP-HNNXBMFYSA-N 462.572 2.254 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(C)CN(C2CC2)C1=O 1358889391 BFCFAYADCMRQTB-READRUSDSA-N 472.590 2.055 30 10 JEEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1CCC1(O)CCC1)[C@H]1CCS(=O)(=O)C1 1358966472 PQDNWDMACHOCNF-FQEVSTJZSA-N 472.611 2.406 30 10 JEEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(-n2ccnc2C)nc1 1358970500 PTTDPEQDRMPQNQ-RUZDIDTESA-N 459.554 2.329 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2CC(C)(C)C(=O)NC)CC1 1359046015 ANIDFEXSBWJMIL-UHFFFAOYSA-N 475.597 2.088 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](CCc2ccccc2)C1 1359056364 DFYWJQDJJRAUMW-LEWJYISDSA-N 474.652 2.385 30 10 JEEE C#CCSCCn1c(N2CCC(N3CCCCC3=O)CC2)nnc1[C@@]1(OCC)CCOC1 1359061725 KTVLMCUKSGPROX-HSZRJFAPSA-N 461.632 2.278 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cn2ccc(C)cc2n1 1359113936 UBIUSKRQUINRRK-IBGZPJMESA-N 473.603 2.018 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 1359133015 KFIFMVPOGKWILK-CTNGQTDRSA-N 493.674 2.248 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CCCS(=O)(=O)C1 1359254658 YXNFHLFJZUUWKH-UYAOXDASSA-N 473.599 2.255 30 10 JEEE C=CCn1c(N2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1359290844 RZHLJHGYVSHZQS-KNQAVFIVSA-N 467.636 2.336 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCN(CC2CCOCC2)CC1 1359330404 QLKPLPKPZQAFIO-UHFFFAOYSA-N 473.643 2.403 30 10 JEEE COC(=O)[C@@H]1CN(S(=O)(=O)c2cccnc2C#N)C[C@H]1c1ccc(Br)cc1 1463927362 GAZOIGKEVGRDCE-LSDHHAIUSA-N 450.314 2.293 30 10 JEEE C=C(CC(C)C)C(=O)N(C)CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 1463943331 VYOBAGANIMDJII-UHFFFAOYSA-N 457.980 2.360 30 10 JEEE CNC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1cc(Br)c(C#N)cc1F 1475421694 BMODVPCGYAXZBT-INIZCTEOSA-N 452.305 2.321 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)cc2OC)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1507524552 VJLFVMKMVUQIEH-GHTZIAJQSA-N 468.602 2.363 30 10 JEEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1Cc1cccc(OCC(=O)N(C)C)c1 1507543147 OHJPUGSXJDGJLT-KRWDZBQOSA-N 480.594 2.243 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2CCC(=O)NC(C)(C)C)c1 1507550386 JZHDTKXPIBAUMQ-GOSISDBHSA-N 452.559 2.143 30 10 JEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC[S@](=O)C(C)(C)C 1507617479 UQLZFOIGUVSJRQ-MKTHODDLSA-N 453.609 2.203 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCc1ccc(N(C)C)cc1)[C@H]1CCS(=O)(=O)C1 1507632163 JLPITYLHTIODAP-FCHUYYIVSA-N 471.627 2.455 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC1(O)CCCCCC1)[C@@H]1CCS(=O)(=O)C1 1507632325 ZDAIWSNECTUHLI-LJQANCHMSA-N 457.600 2.361 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1ccc(C)cc1OC)[C@@H]1CCS(=O)(=O)C1 1507636053 XXYHHJIYRNMREH-OAQYLSRUSA-N 465.579 2.256 30 10 JEEE C#CCN(c1nnc(CCOc2ccccc2)n1Cc1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1507638102 DKSWPILTOWKKPP-LJQANCHMSA-N 469.567 2.179 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCOC[C@H]1OC 1507701527 JQGSIYFSRULKKO-SFHLNBCPSA-N 476.574 2.011 30 10 JEEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CC(=O)N(c2ccccc2)C1 1507713679 SNNRQKGQUIVHCK-NRFANRHFSA-N 461.570 2.279 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2cccc(CN(C)CC)c2)CC1 1507739389 PMHBTEUCPONXQX-HSZRJFAPSA-N 464.614 2.248 30 10 JEEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1507914228 IYAQCVFOAGDWHP-INIZCTEOSA-N 469.656 2.121 30 10 JEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(c2ncccc2F)CC1 1507967051 GNGGAVPFPAWEEL-SFHVURJKSA-N 478.594 2.024 30 10 JEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1508163586 VVJAJRSLEMAAMB-MRXNPFEDSA-N 484.717 2.103 30 10 JEEE CC[C@H](C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1Cc1cccc(S(=O)(=O)NC)c1 1513013546 AJNCQEZHBLLXSR-SFHVURJKSA-N 494.625 2.341 30 10 JEEE CCCn1nc(-c2nnc(N(C)[C@@H](C)CC#N)n2C[C@H]2COCCO2)c2ccccc2c1=O 1514983106 BGYUCSHQKOPEPX-IRXDYDNUSA-N 451.531 2.219 30 10 JEEE CCNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ncccc2C)CC1 1516015710 ICHFLRNVCBGJQI-UHFFFAOYSA-N 460.542 2.332 30 10 JEEE CS(=O)(=O)C1(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC(CC#N)CC2)CCCC1 1519502789 BGMUYKNZZUVDSA-UHFFFAOYSA-N 471.587 2.413 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1539029378 IBKQFCJIIZNFOC-WBVHZDCISA-N 484.548 2.381 30 10 JEEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2c(CC)nn(C)c2Cl)CC1 1539084711 BPJGRCNRMRHZNH-UHFFFAOYSA-N 473.025 2.199 30 10 JEEE C#CCN(c1nnc(-c2ccccc2F)n1Cc1nnc(CC)s1)[C@H]1CCS(=O)(=O)C1 1539210926 ICHFDIHVOOWFRK-AWEZNQCLSA-N 460.560 2.173 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCN(C)CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1539213400 ZIBBNWSQOZHDCV-OAHLLOKOSA-N 490.939 2.114 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1Cc1ccc(OC)nc1)[C@@H]1CCS(=O)(=O)C1 1539218699 CEJSOHOIQZIBHD-LJQANCHMSA-N 469.542 2.087 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H](C)N1CCN(CC)CC1 1539301180 LXBUWDORQXQWTE-NRFANRHFSA-N 464.614 2.451 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@](C)(O)c2ccc(F)cc2)CC1 1539430324 ILYKGZAZKNVEES-DQEYMECFSA-N 471.577 2.121 30 10 JEEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CC(=O)Nc2ccc(F)cc2)CC1 1539453625 NJSVJZLPTJYJRL-UHFFFAOYSA-N 453.547 2.167 30 10 JEEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](OC(C)C)c2ccccc2OC)CC1 1539459767 NNTWHZGNSOSMAG-QHCPKHFHSA-N 480.613 2.331 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCc2n[nH]c(C)n2)CC1 1539469684 UGWHXGRWAUGMBJ-INIZCTEOSA-N 480.548 2.192 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](c2ccccc2)C2CC2)CC1 1539470217 ZJOZBKZEVLLBMI-PGRDOPGGSA-N 498.653 2.048 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C(C)(C)C)C1 1539916821 OHRHUQWMICSBSR-MSOLQXFVSA-N 469.652 2.465 30 10 JEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 1540007249 ZUDOFHDEJRXZMK-MSOLQXFVSA-N 498.650 2.023 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1nnc2n1CCCCC2 1541106756 BGJPEMOTPLUFEI-INIZCTEOSA-N 468.587 2.311 30 10 JEEE N#Cc1cn(CC(=O)N2CCCC[C@@H]2C(=O)Nc2cc(Cl)ccc2Cl)c(=O)nc1O 1542725691 AJFOMSYBGJWSQE-OAHLLOKOSA-N 450.282 2.147 30 10 JEEE CC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C(N)=O)C1)NC(=O)OC(C)(C)C 1545968247 BAVSFULIWQYQHA-QZTJIDSGSA-N 453.547 2.432 30 10 JEEE CCOC(=O)[C@H](Cc1ccccc1)N(C)C(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 1567867178 BFVDYKKKCOQMAY-LPHOPBHVSA-N 457.552 2.137 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@]1(O)CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1588034815 MBZFVLZPGUXOLW-XXBNENTESA-N 487.582 2.421 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2Cl)n1CC1(O)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1588041149 VIONRFOUXPFVCQ-MRXNPFEDSA-N 499.420 2.420 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCCCCC2)nc1 1588139865 SAJZEZISGOOGLR-NRFANRHFSA-N 466.611 2.077 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC(=O)NCc2ccco2)CC1 1588763342 VJONOUSFRDIWAO-UHFFFAOYSA-N 470.480 2.211 30 10 JEEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1593757544 HXLOELPGYOCPIC-IBGZPJMESA-N 480.660 2.231 30 10 JEEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1593884716 JTCRGYOUSUVYRC-CVEARBPZSA-N 490.026 2.352 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CCSC1 1595161551 DNNDNABRSSQNAP-DNVCBOLYSA-N 454.643 2.302 30 10 JEEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 1595871767 YJTCFERFSNAFMR-GOSISDBHSA-N 477.660 2.485 30 10 JEEE C=CCn1cc(CNC(=O)C2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)nn1 1598174551 PKMSPDCNACYMFG-UHFFFAOYSA-N 458.371 2.488 30 10 JEEE COC(=O)c1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)c(OC(F)F)c1 1616337956 ADCYERFQGRGFLA-NSHDSACASA-N 453.423 2.252 30 10 JEEE CCS(=O)(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCOCC2(C)C)CC1 1617249411 BBBJQTMGOQNFIK-UHFFFAOYSA-N 486.642 2.331 30 10 JEEE C#CC[C@@H](NC(=O)Cc1cc(Br)cc(I)c1)C(=O)OC 1626187916 LYTHPGLUOMAMKT-GFCCVEGCSA-N 450.070 2.277 30 10 JEEE C#CC[C@@H](NC(=O)C1(NC(=O)NCc2cccc(Br)c2)CCCC1)C(=O)OC 1629616965 CGTMKFRSXNUAOQ-MRXNPFEDSA-N 450.333 2.242 30 10 JEEE C#CCn1cc(CNC(=O)c2ccccc2NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cn1 1634631991 WUAKOYMLSNYLBL-UHFFFAOYSA-N 453.480 2.464 30 10 JEEE C#CCC1(O)CCN(C(=O)[C@@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc(C)cc2)CC1 1643512410 BZRCBUZIQSRXNO-QHCPKHFHSA-N 452.576 2.487 30 10 JEEE N#Cc1cc(F)c(S(=O)(=O)N2CC[C@H](C(=O)NCC(F)(F)F)C2)cc1Br 1655059298 HTCVCSMPNLADFM-QMMMGPOBSA-N 458.231 2.149 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1nccc(C(F)F)n1 1689846393 IWKYTWNFWVLCJH-ZDUSSCGKSA-N 460.514 2.472 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2C[C@@]2(O)CCSC2)c1 1689871682 BPJSNVXNTNQNKQ-DEOSSOPVSA-N 462.579 2.188 30 10 JEEE C#CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(NC(C)=O)CC1 1689885631 PEUNRYAWGXECIN-UHFFFAOYSA-N 457.604 2.147 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@@H]1CCOC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1689982093 HQUFMSPIWXKUEA-HOJAQTOUSA-N 458.584 2.253 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H](C)CNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1689989634 HLILLBHCLDNIKL-OTWHNJEPSA-N 495.646 2.307 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2Cc2cccc(C(=O)N(C)C)c2)CC1 1690143824 CRVCYYPBNPMVNH-UHFFFAOYSA-N 485.592 2.364 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C(C)(C)C)C1 1690238688 MNAMIVJEKNWZAS-MLHJIOFPSA-N 455.625 2.121 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)CC(=O)N1CCOCC1 1690241820 XYXLUTQZTSBIEW-WMZHIEFXSA-N 485.585 2.239 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2([S@@](C)=O)CCC2)C1 1690689677 JTNFHZINGBVAQF-WTPASJBYSA-N 478.640 2.431 30 10 JEEE C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCO[C@H](C#N)C2)n1CCS(=O)(=O)C(C)(C)C 1692818248 AHFDZGRFLGJCQV-CRAIPNDOSA-N 465.551 2.499 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H](C)N(C)C1CC1)[C@H]1CCS(=O)(=O)C1 1705562775 KCOGNLPVXVYMNW-MJGOQNOKSA-N 487.626 2.072 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCCc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1705572031 PBTGNKZDWJPYQH-VWPQPMDRSA-N 490.601 2.401 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1705647000 WKLLVDGDHGHYQU-IBGZPJMESA-N 468.989 2.479 30 10 JEEE C=C(C)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1705727607 PVILJJLZUSUNGP-UHFFFAOYSA-N 492.371 2.075 30 10 JEEE C=CCC(C)(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(C(=O)COC)CC1 1705790928 JSTBJAOMXIPIIY-UHFFFAOYSA-N 465.558 2.491 30 10 JEEE C=CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H]1CCCN1CCCO 1705840955 IZGCBKHRYWRLKE-GOSISDBHSA-N 451.575 2.144 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1705898117 BHFWZHIIXBHUMX-HXUWFJFHSA-N 451.531 2.050 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC2(CCC2)C1 1705931534 SIQAVMBHCHLUDY-UHFFFAOYSA-N 464.613 2.330 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C2CCC2)CC1 1705935142 ILYIEYHIBUUIKA-UHFFFAOYSA-N 465.570 2.422 30 10 JEEE CC(C)[C@H](Cn1c(COc2ccc(F)cc2)nnc1N1CCO[C@H](C#N)C1)N1CCOCC1 1706263554 AVFKQKVGIZQCAR-RTWAWAEBSA-N 458.538 2.082 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1C[C@@H](c1ccccc1)N1CCCC1 1706863913 DECKQPYTHDEAHD-NQIIRXRSSA-N 471.631 2.465 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC1(c2ccc(F)cc2F)CC1 1706870531 DMWFFRKORHZANL-RNODOKPDSA-N 468.505 2.340 30 10 JEEE COCC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2C[C@H](C)O[C@@H](C)C2)CC1 1712108129 DYPUYTMANZTUNW-PMACEKPBSA-N 495.628 2.047 30 10 JEEE C#CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1722335767 GGGAQQCPRKFWQO-UHFFFAOYSA-N 483.598 2.258 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@](C)(O)c1cc(C)oc1C)[C@@H]1CCS(=O)(=O)C1 1722359947 BLQNXUGJNBQOTE-NTKDMRAZSA-N 483.594 2.393 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1722391709 SHYPNTLLDMMHQQ-AZUAARDMSA-N 473.574 2.444 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCn2ccnc21 1722426279 FWFCHBUZYHKXOG-WOJBJXKFSA-N 499.616 2.447 30 10 JEEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(=O)N(C)C1CCCCC1 1722428253 DCCLIYZKIWIDCH-UHFFFAOYSA-N 494.644 2.329 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2(C(=O)NCC)CCC2)CC1 1722444522 ZXTQILQIMIIYOL-UHFFFAOYSA-N 493.568 2.126 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2CC(F)(F)C2(OC)CCOCC2)CC1 1722448418 UISLVWGKQMXDEV-UHFFFAOYSA-N 465.545 2.342 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC(NC(=O)CCC)CC1 1722689743 YNDLIJODBSWXHX-UHFFFAOYSA-N 492.422 2.233 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)CC1CCCC1 1722693028 BQUKKFWNEPOXEV-UHFFFAOYSA-N 460.604 2.124 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC([C@@H](O)c2ccc(F)cc2)CC1 1722697114 FXNVEWHGDCILAJ-NRFANRHFSA-N 453.522 2.070 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC(NC(=O)c3ccccc3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1722704151 OYPMSYCCEBXNDL-SANMLTNESA-N 496.612 2.020 30 10 JEEE CO[C@]1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(CC(C)C)C(=O)[C@@H]2C)CCOC1 1729943061 CKQPSFIYXNJPNZ-UUOWRZLLSA-N 452.559 2.315 30 10 JEEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1C[C@H](c1cccc(C)c1)N1CCOCC1 1740557039 HNJRKRKJPHQFGG-RBBKRZOGSA-N 450.587 2.240 30 10 JEEE C#CCCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(C(C)=O)C[C@H]1C 1740567554 LHGZAWXYXUYIRE-QGZVFWFLSA-N 471.631 2.407 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@@]1(C)CCCS1)[C@@H]1CCS(=O)(=O)C1 1740615633 IEGOEYNORVUFJY-DYESRHJHSA-N 467.661 2.109 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1CCCCCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1740620909 HSRFIYSUNJTSFW-HXUWFJFHSA-N 458.632 2.176 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@H]2CCN(CC)C2)CC1 1740704506 RBMOJJNHFYWKDP-IBGZPJMESA-N 450.587 2.261 30 10 JEEE C#CCSCCn1c(-c2cccnc2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1740715092 RFIJBVSXJZAFIK-NRFANRHFSA-N 461.595 2.055 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(c2nccs2)CC1 1740717284 NUNRFFWEKGSDSA-MRXNPFEDSA-N 451.643 2.387 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccc2OC)nnc1N1CCO[C@@H](CNC(C)=O)C1 1740758835 CLCFOKSRGPBCNK-HFMPRLQTSA-N 469.586 2.200 30 10 JEEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCCN(c2nccc(OCC)n2)CC1 1740948656 VDCURYVQELWMJK-UHFFFAOYSA-N 468.587 2.361 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1740951644 KETZVIKYJXTHMI-BAGYTPMASA-N 482.629 2.494 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 1740960025 JFSOJCPKTMTCDL-FUHWJXTLSA-N 463.485 2.264 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC2(S(C)(=O)=O)CCC2)C1 1740971958 ASGKATYRAFAJCN-XMSQKQJNSA-N 468.620 2.067 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC(O)(c2ccccc2Cl)CC1 1740990333 REFHISMUXUIEQK-UHFFFAOYSA-N 491.017 2.421 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCCN(C(=O)c2ccccc2)CC1 1740991583 ZYELLEIQVNGAJP-NRFANRHFSA-N 487.626 2.473 30 10 JEEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1740995624 RSPTTZHJJLJGGP-IBGZPJMESA-N 489.690 2.003 30 10 JEEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCCN2CCC[C@H]2CO)[C@@H](C)C1 1741055932 VBKCTGXDIUSLBG-REWPJTCUSA-N 495.628 2.023 30 10 JEEE CCOCc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1C[C@@H]1CCOC[C@@H]1OC 1747174656 GVZZESMIUBMDRN-GOTSBHOMSA-N 468.602 2.450 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCNC(=O)c1cccc(OC)c1 1748665059 MWRUBAQSCYYSOR-KRWDZBQOSA-N 495.609 2.135 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(=O)N[C@@H](C)CC 1748672921 BLXGDGNWMPBAFP-OKZBNKHCSA-N 462.595 2.349 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3csc(N4CCOCC4)n3)n2CC(C)(C)O)c1 1748693068 XCWBLTNXBZZQFL-UHFFFAOYSA-N 495.609 2.065 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1nc(C)c(C)s1)[C@@H]1CCS(=O)(=O)C1 1748804312 FQRTUXOVAIQXNV-GCJKJVERSA-N 493.655 2.067 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1CCc1ccc(Cl)s1)[C@@H]1CCS(=O)(=O)C1 1748812625 YHHBFWFUOFQUFU-CQSZACIVSA-N 462.988 2.319 30 10 JEEE COc1cccc([C@@H](Cn2c(Cn3nc(C)cc3C)nnc2N2CCO[C@H](C#N)C2)N(C)C)c1 1748898047 DWDVWFWOEOWTCZ-FGZHOGPDSA-N 464.574 2.180 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H]2NC(=O)CC2(C)C)CC1 1749015406 VHVBQGASFGAEFY-HXUWFJFHSA-N 484.551 2.028 30 10 JEEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1749115235 OBSSERFZGZLHHB-OAHLLOKOSA-N 464.368 2.472 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CCOC)C(=O)C1 1749122482 WNVCPXZDXZMAIL-UNMCSNQZSA-N 450.543 2.093 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCS(=O)(=O)C1 1749529475 DQZSHWQGLLJTJA-HXUWFJFHSA-N 468.583 2.013 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(c2ccnc(C)n2)CC1 1749651321 SGANKCSPBZMKMC-KRWDZBQOSA-N 480.548 2.284 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1749695541 DPOKKICLBHARCI-FXAWDEMLSA-N 497.415 2.039 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@@H](NC(C)=O)C1 1749725454 UZBDLFPLQJRHFM-GOSISDBHSA-N 451.980 2.304 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN([C@H](C)c2nccs2)CC1 1749741182 SBYDVKYULMZRKF-IAGOWNOFSA-N 466.633 2.070 30 10 JEEE COCCN(CCC#N)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@]1(O)CCC[C@H]1C 1749828383 ACLZXFBUBCKUBC-OSPHWJPCSA-N 465.558 2.110 30 10 JEEE CC(C)[C@](C)(O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1750579804 DUJWTCZXDMVSJX-PXDATVDWSA-N 465.602 2.220 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1CCCOC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1760186289 LTAZFVKRZIBRHO-SFHVURJKSA-N 452.621 2.079 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1Cc1nnc(C(C)(C)C)s1)[C@@H]1CCS(=O)(=O)C1 1760187669 XRLCSDMVNDRZEZ-OAHLLOKOSA-N 450.634 2.301 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1760272334 HCSSLYKYNSBIEU-UHFFFAOYSA-N 497.669 2.160 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1760294937 JXDGBVIDCKFGHC-FZONSQQESA-N 463.648 2.060 30 10 JEEE C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1760344184 CDTTUPWZJJVOGT-LJQANCHMSA-N 491.614 2.169 30 10 JEEE C=CC1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@]2(O)CCO[C@@H]2C)CC1 1760398768 LTSKJFTXYFTRIR-UZUQRXQVSA-N 475.615 2.138 30 10 JEEE C=CCN(c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCS(C)(=O)=O)C1CC1 1760472864 FXRGGILDDBDUEI-UHFFFAOYSA-N 456.572 2.264 30 10 JEEE CN(C(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC#N)CC1)C1CCCCC1 1768417703 GKRVZRYTIRDWMB-SFHVURJKSA-N 462.620 2.101 30 10 JEEE CN(c1nnc(-c2ccc(C#N)cc2)n1CCC(=O)N1CCCCCC1)[C@H]1CCS(=O)(=O)C1 1768539503 ICOMSSFCJVHDNT-FQEVSTJZSA-N 470.599 2.233 30 10 JEEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(O)c(O)c2)ccc1F 1862503324 VPCWICNYPBVROW-NRFANRHFSA-N 456.470 2.456 30 10 JEEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccccc1[N+](=O)[O-] 1862609904 XVHZRZBHGWDDEZ-FQEVSTJZSA-N 467.434 2.080 30 10 JEEE COc1ccc(C(=O)N[C@H](CCSC)C(=O)Nc2ccc(C#N)cc2)cc1S(C)(=O)=O 1866893507 YDHDKWLEBPYOBS-QGZVFWFLSA-N 461.565 2.461 30 10 JEEE CC[C@H](NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(=O)N1CCC2(CC1)OCCO2 1868796872 YFJQVYQIFLGBJP-RBUKOAKNSA-N 460.600 2.285 30 10 JEEE C=CCN(CC=C)C(=O)[C@@H](Cc1ccc(OC(C)=O)cc1)NC(=O)CCc1nn2c(C)nnc2s1 1868898897 GSCLSGOFXNWQPC-HXUWFJFHSA-N 496.593 2.280 30 10 JEEE C=CCOc1ccccc1OCC(=O)Nc1nc(N(CCO)CCO)nn1-c1ccccc1Cl 1869954318 NFVAREHGSABDSB-UHFFFAOYSA-N 487.944 2.294 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)N(CCC)CCC)cn1CCN1CCOCC1 1870460701 KDXMYSIYFUIVPP-UHFFFAOYSA-N 474.646 2.382 30 10 JEEE C#CCOc1cn(Cc2ccc(S(N)(=O)=O)cc2)c(CN(CC)CCc2ccncc2)cc1=O 1870560427 VPTMSZMIMYVGNG-UHFFFAOYSA-N 480.590 2.016 30 10 JEEE CCc1sc(C2=C(N)N(CCN3CCOCC3)CC2=O)nc1-c1ccc(OC)c(OC)c1 1873528196 LCMJRFMEVDQHQQ-UHFFFAOYSA-N 458.584 2.234 30 10 JEEE COc1cc(/C=N/n2cnnc2SCC(=O)OCC(C)C)ccc1OCCN1CCOCC1 1874539856 AWGXPAIOVUSSMZ-ZMOGYAJESA-N 477.587 2.171 30 10 JEEE Cc1cccc(-n2ncc3c(=O)n4c(nc32)S[C@@H](CC(=O)N2CCC[C@H]2C#CCN(C)C)C4)c1 1891633942 XLCIYSNMBVIEGQ-QUCCMNQESA-N 476.606 2.311 30 10 JEEE Cc1sc(C)c(S(=O)(=O)NCCNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2247906125 XZNQXGCUMQTMKX-UHFFFAOYSA-N 460.427 2.467 30 10 JEEE CON(C(=O)c1nc(C)sc1B1OC(C)(C)C(C)(C)O1)C1CN(C(=O)OC(C)(C)C)C1 2255640862 MLWPCWVANZTBLF-UHFFFAOYSA-N 453.370 2.374 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1[C@@H]2CN(S(=O)(=O)c3cc(B4OC(C)(C)C(C)(C)O4)cs3)C[C@@H]21 2255751498 BMEBPPIXZFWUPO-FOLVSLTJSA-N 470.422 2.191 30 10 JEEE CO[C@H](CNC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1nscc1B1OC(C)(C)C(C)(C)O1 2256623141 BDOYREQXNQBFNZ-TZMCWYRMSA-N 455.386 2.159 30 10 JEEE C[C@H](NC(=O)N1CC(NC(=O)OC(C)(C)C)C1)c1nscc1B1OC(C)(C)C(C)(C)O1 2256626718 NHZLIMRMQDRKHH-LBPRGKRZSA-N 452.386 2.422 30 10 JEEE CC(C)(C)OC(=O)N[C@]1(C(=O)NCc2ccc(B3OC(C)(C)C(C)(C)O3)s2)C[C@H](O)C1 2256675752 JFAZUUJHIBHZPJ-IPVJXJPOSA-N 452.382 2.082 30 10 JEEE CC(C)C[C@H](CNC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2267014473 ZDQBXGHRUPLXLF-OAHLLOKOSA-N 450.389 2.389 30 10 JEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2CCC(C)(C)N2C(=O)OC(C)(C)C)n1 2281953213 HTBHCWVVADTOFN-AWEZNQCLSA-N 463.388 2.022 30 10 JEEE CC(C)(C)OC(=O)N[C@@]12CCC[C@@]1(F)CN(C(=O)c1cc(B3OC(C)(C)C(C)(C)O3)n[nH]1)C2 2281989160 WHRDOXKLQIAQPE-FGZHOGPDSA-N 464.347 2.320 30 10 JEEE CC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282064123 VFDKNHDFOLOLAD-NVXWUHKLSA-N 462.400 2.485 30 10 JEEE CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1CNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2282182723 WQFDSYGPNVAJLS-IBGZPJMESA-N 459.396 2.267 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)OCC12CC2 2282195715 QFNUTBRJWNKSLU-OAHLLOKOSA-N 462.352 2.477 30 10 JEEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)[C@@H]2CC[C@@H]21 2282497140 MBZARGOVRXVRPS-JKSUJKDBSA-N 499.464 2.356 30 10 JEEE Cc1c(C(=O)N[C@@]23CCN(C(=O)OC(C)(C)C)C[C@H]2C3)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282581920 OVECYKLDPFJOCU-IQMFZBJNSA-N 460.384 2.157 30 10 JEEE CC(C)(C)OC(=O)N1CCC(Nc2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)(C(N)=O)CC1 2282998348 SUHQAFKDGBJUOO-UHFFFAOYSA-N 460.384 2.235 30 10 JEEE CC(C)(C)OC(=O)NCC12CC(C(=O)NCc3ncc(B4OC(C)(C)C(C)(C)O4)s3)(CO1)C2 2283925893 GIKSPKSYMHEIAU-UHFFFAOYSA-N 479.408 2.132 30 10 JEEE Cc1nc(NC(=O)c2conc2CNC(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2283969958 KOZRNVPCCLWHHB-UHFFFAOYSA-N 459.312 2.349 30 10 JEEE C[C@H](NC(=O)[C@@]1(CO)CCN(C(=O)OC(C)(C)C)C1)c1nscc1B1OC(C)(C)C(C)(C)O1 2284019464 YSFOIEBFHXEILL-FPTDNZKUSA-N 481.424 2.239 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2285182474 KGEYYWMDXQCNSQ-AEFFLSMTSA-N 464.343 2.111 30 10 JEEE 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 2312598508 YMGOCOYIDLYOCQ-IGKNDFSCSA-N 453.580 2.436 30 10 JEEE CN(CC1(O)CN(C(=O)OC(C)(C)C)C1)c1ncc(Cl)cc1B1OC(C)(C)C(C)(C)O1 2317224706 SGXICFPQRMMEOA-UHFFFAOYSA-N 453.776 2.452 30 10 JEEE CO[C@@H]1[C@H](OC)CN(C(=O)OC(C)(C)C)[C@H]1C(=O)N[C@H]1CCC=C1B1OC(C)(C)C(C)(C)O1 2359390895 YIADYLKKTLVJHN-BSDSXHPESA-N 466.384 2.472 30 10 JEEE COc1cc(NC(=O)CSc2nnc(N/N=C/c3ccc([N+](=O)[O-])cc3)n2N)cc(OC)c1 20292050 DACUHAWXMKRCIY-UFFVCSGVSA-N 472.487 2.094 30 10 JEEE C=CCNC(=O)[C@H]1CCCN1C(=O)c1ccc(NS(=O)(=O)c2ccc(OC)c(OC)c2)cc1 21712966 JNIBFFJZEPXOCA-LJQANCHMSA-N 473.551 2.411 30 10 JEEE COC(=O)c1[nH]c(C)c(/C(O)=C2/C(=O)C(=O)N(CCN(C)C)[C@@H]2c2cccc(OC)c2OC)c1C 102507904 OSTXKLNZRCWPBJ-HWCXCKHPSA-N 485.537 2.419 30 10 JEEE CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 523236250 HKALGAUIQZDGCJ-NRFANRHFSA-N 463.538 2.348 30 10 JEEE C=CCN(C(=O)c1cc(S(=O)(=O)N2CCCC[C@H]2C)ccc1C)[C@H]1CCS(=O)(=O)C1 1125953243 CNCPMKGUBNIAQK-MSOLQXFVSA-N 454.614 2.373 30 10 JEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC(Nc3cccc(C(=O)OC)c3)CC2)cc1 1150023603 YVXDLFCFCHVCMM-UHFFFAOYSA-N 455.536 2.101 30 10 JEEE COc1ncc(NC(=O)c2cc(S(=O)(=O)NC3CC3)ccc2Br)cc1C#N 1177479952 CLKFIRDVQXNWEA-UHFFFAOYSA-N 451.302 2.417 30 10 JEEE C=CCN(C(=O)[C@H](Cc1cccc(OC)c1)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1264995621 NFRJPPFUOAAJJM-HKUYNNGSSA-N 452.573 2.333 30 10 JEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@H](C)c1ccc([S@](C)=O)cc1 1286338137 GYBZGMPJMCRVIC-AJXXGZDZSA-N 451.618 2.237 30 10 JEEE C#CCN(c1nnc([C@@H](C)OCCOC)n1Cc1ccc(Cl)cc1F)[C@H]1CCS(=O)(=O)C1 1286383708 DRHYTFDFEWXQNY-QAPCUYQASA-N 484.981 2.470 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC1CCN(CCC)CC1)[C@H]1CCS(=O)(=O)C1 1286389562 MKDMYHNERBGYRW-NRFANRHFSA-N 470.643 2.397 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@](C)(O)[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1286398387 XYFACOCGSRGVQE-PNCHPQGNSA-N 478.590 2.420 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC(=O)NC2CCCCC2)CC1 1286473891 ZANXVEVGNADXQN-UHFFFAOYSA-N 474.407 2.240 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H](C)N(CC)C(=O)OC(C)(C)C)CC1 1286492471 GITWHSLCVKOZMA-QUCCMNQESA-N 488.633 2.393 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1286548945 VJUGJMIOVSEMSK-WKDRNLAYSA-N 474.650 2.335 30 10 JEEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 1286700291 GSKJWNSWANVXGZ-UFYCRDLUSA-N 457.623 2.012 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1286784929 YQFLCDXCNIFIEX-UHFFFAOYSA-N 468.443 2.490 30 10 JEEE C[C@@H]1CCCN(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCC(NS(C)(=O)=O)CC2)C1 1291127442 GHZXVXXJTVLBSG-GOSISDBHSA-N 471.631 2.067 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2C[C@H]3CC[C@H]2C3)c1 1300330773 DAGYDPGBAILCJO-FRYIKTPZSA-N 484.626 2.381 30 10 JEEE C#CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1300339691 RAYOWSHGADSMRZ-UHFFFAOYSA-N 493.033 2.137 30 10 JEEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 1300358456 VOCQLNSYFRCDSN-FQEVSTJZSA-N 459.620 2.313 30 10 JEEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 1300409582 ISGKCFLQJMOQGB-VSKRKVRLSA-N 456.635 2.402 30 10 JEEE C#CCSCCn1c(N2C[C@H](CC)[C@H](N3CCOCC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1300776954 PKJSHVGYQDVDTG-IMSXRSKXSA-N 477.675 2.232 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(OC)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1300876007 PFLMHGQHRFEANT-PZJWPPBQSA-N 475.615 2.407 30 10 JEEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(=O)NC2CCCCC2)CC1 1300928683 LOYRWEFIEOVNIB-INIZCTEOSA-N 467.640 2.065 30 10 JEEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1301189044 QPOBQWSWUPEHNP-HXUWFJFHSA-N 492.690 2.107 30 10 JEEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1301459144 RTWBNOMVWGLRPX-YESZJQIVSA-N 453.609 2.496 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1301585908 GZFRAKCMLUTMQT-LJQANCHMSA-N 490.630 2.310 30 10 JEEE CCC[C@H](Cn1c(Cc2cccnc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C)OC 1306588838 BFDRXKPHSQDOFJ-UYAOXDASSA-N 461.574 2.456 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CCc3c(cccc3N3CCOC3=O)C2)C1 1312467928 DAZXJCGESICKKE-FUHWJXTLSA-N 455.515 2.470 30 10 JEEE CCN(CC)[C@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1313721434 BGQADSYHFDQRSX-HXUWFJFHSA-N 466.634 2.194 30 10 JEEE CN1CC[C@](O)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](NC(=O)C(C)(C)C)C2)C1 1314922599 FXICMYDGOVFNLY-CJFMBICVSA-N 465.602 2.014 30 10 JEEE C#CCN(c1nnc(CSc2ccc(C)cc2)n1CCNC(=O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1358967967 WMAFWNRKTQUTIH-LJQANCHMSA-N 487.651 2.032 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(c2ccccc2C)CCOCC1 1358984702 DTDXRRZAQVWMDF-NRFANRHFSA-N 483.638 2.408 30 10 JEEE C#CCN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1359006616 BXEUBTOWTUNVRH-LNVKXUELSA-N 456.510 2.117 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2Cc2ccc(N(C)C)c(F)c2)CC1 1359046380 PIFASJJAYFIFPO-UHFFFAOYSA-N 475.572 2.483 30 10 JEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2cccc(Cl)c2)CC1 1359049757 VRVFNLURGDGAHK-KRWDZBQOSA-N 497.090 2.230 30 10 JEEE C#CCSCCn1c(CC(C)(C)C)nnc1N1CCN(c2ncnc3c2cnn3C)CC1 1359057477 ABFNBBUPPJTJNK-UHFFFAOYSA-N 453.620 2.236 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ncccc2F)CC1 1359089498 KERXJGUCYRRZCG-IEBWSBKVSA-N 457.554 2.258 30 10 JEEE C=CCCCCn1c(CC)nnc1N1C[C@@H]2[C@@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1359204349 LUCSKIOJDHOJMP-IKGGRYGDSA-N 453.609 2.323 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(Cc2ccccc2)C[C@@H]1C 1359331943 KWSWLLCNYZUUKT-UNMCSNQZSA-N 473.643 2.484 30 10 JEEE CC(C)NS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N(C)Cc1cccc(C#N)c1 1360315743 HPVUBUBCAGTNTR-UHFFFAOYSA-N 453.572 2.100 30 10 JEEE CC(C)(C)OC(=O)N1CCC(O)(CC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC1 1465696725 OUSGWPLUKMLQNU-MRXNPFEDSA-N 452.552 2.110 30 10 JEEE C[C@H]1C[C@H](NC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c2ccsc2S1(=O)=O 1470032417 HTKDVIONDXDSEM-VHSSKADRSA-N 458.565 2.327 30 10 JEEE COCC[S@](=O)Cc1cccc(NC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c1 1476161686 FZWPZUZROXHEKY-YSZKKOMBSA-N 450.561 2.462 30 10 JEEE CCN(CCCn1c(-c2ccccc2OC)nnc1N1CC[C@@](F)(C#N)C1)S(C)(=O)=O 1502180079 BFWVRSLEZWQNEX-HXUWFJFHSA-N 450.540 2.067 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1cc(C)ccc1OC(F)F)[C@H]1CCS(=O)(=O)C1 1507630611 DAHHPOVONLHLSP-SFHVURJKSA-N 490.536 2.263 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CCOc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1507635480 SLVRAIOAWLALBT-NRFANRHFSA-N 465.579 2.278 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@]2(OCC)CCOC2)n1CCN1CCOC[C@H]1C 1507700752 UZTNOJARIQDQLQ-CJFMBICVSA-N 471.577 2.430 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@](C)(O)c2ccco2)CC1 1507734594 POGJOUUBCSHLGK-XMMPIXPASA-N 478.509 2.320 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCCc3ccccc3)n2C[C@@]2(O)CCSC2)CC1 1507740777 PKYCWNMTCKOFAC-VWLOTQADSA-N 467.639 2.287 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CCN1CCOCC1 1507795284 HPMWOMKMIVRHJO-IFMALSPDSA-N 489.642 2.098 30 10 JEEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1507934455 GDVLNBDBHMTVGC-VQTJNVASSA-N 462.620 2.255 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(OCC(F)(F)F)c1 1507982543 NCVDDKIFDQPTBL-KRWDZBQOSA-N 489.520 2.223 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)SC 1507997988 APKKUNBVTZMTDX-FXAWDEMLSA-N 490.655 2.427 30 10 JEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(=O)c2ccc(F)cc2)CC1 1508058779 FDOZRNZMJSHWEA-IBGZPJMESA-N 477.562 2.035 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1508078998 MGATZSSBINUMMV-UHFFFAOYSA-N 466.586 2.485 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(Cc2ccccc2OC)CC1 1508139722 DEFLOUWPEGUYTB-UHFFFAOYSA-N 459.616 2.477 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(c2cnccn2)CC1 1508145336 LYGJGXNYHUGXDC-UHFFFAOYSA-N 488.017 2.240 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCn1ccc2ccccc21 1508423556 HQUISIZOAICWBC-RXVVDRJESA-N 485.614 2.252 30 10 JEEE CCS(=O)(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)NC(C)C)CC1 1516771617 CWUGEKUMJIKKJK-UHFFFAOYSA-N 458.588 2.135 30 10 JEEE N#Cc1cccc([C@@H]2CN(c3nnc(-c4cccnc4)n3CC(=O)NCC(F)F)CCO2)c1 1521082426 GJNUGKYUDVERNJ-SFHVURJKSA-N 453.453 2.171 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1CCOC1CCCCCC1)[C@@H]1CCS(=O)(=O)C1 1539216670 VKOLMPACXJHYHH-GOSISDBHSA-N 458.588 2.101 30 10 JEEE C#CCN(c1nnc(-c2cn(C)c3ccccc23)n1C[C@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1539216795 XHQIKWFWDFJLDV-ZWKOTPCHSA-N 454.600 2.014 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H]2CCC=CO2)CC1 1539427740 IOJONUBTDAALIY-FQEVSTJZSA-N 454.962 2.309 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccccc3Br)n2Cc2nncn2CC)CC1 1539441005 HVGCJULLBQGUGJ-UHFFFAOYSA-N 455.364 2.123 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2Cc2cccc(C(=O)NCCC)c2)CC1 1539476322 VSPWWDOFMNEMFN-UHFFFAOYSA-N 473.581 2.427 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCNC(C)=O 1539556310 BCKRXUSKZIZZKS-WZONZLPQSA-N 460.579 2.105 30 10 JEEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1539606235 AFKMRSJPDFSSKF-UHFFFAOYSA-N 483.308 2.332 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc3ccccc3o2)nnc1N1CCN(CCOC)CC1 1540899287 JHDQGQYFJNKPNA-UHFFFAOYSA-N 459.572 2.061 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCN(Cc2cccs2)CC1 1540903653 DVTKJWXDHCRQAB-UHFFFAOYSA-N 472.640 2.248 30 10 JEEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 1540920580 ZMBFAQCTTMODHF-INIZCTEOSA-N 461.592 2.404 30 10 JEEE CCCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)cc1OC 1547271770 FWRWEWWNYVQXHT-INIZCTEOSA-N 476.603 2.474 30 10 JEEE CCO[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCN(C)S(=O)(=O)CC)C1 1548049205 GUIKPPKJOYDULV-HXUWFJFHSA-N 460.604 2.494 30 10 JEEE CNC(=O)[C@H]1CN(S(=O)(=O)c2ccc(F)cc2F)CCN1c1ccc(C#N)c(C(F)(F)F)c1 1548367722 JIFAYOYIBDPIFE-QGZVFWFLSA-N 488.438 2.481 30 10 JEEE CNC(=O)[C@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCC[C@H]2C)C1 1554404932 ALGPWLJEPGTNQS-HOYKHHGWSA-N 451.575 2.175 30 10 JEEE C#CCOc1ccc(CNC(=O)[C@H]2C[C@H](O)CN2S(=O)(=O)c2ccc(C(C)C)cc2)cc1 1556660599 UKCGGLRLPUIPEV-NZQKXSOJSA-N 456.564 2.262 30 10 JEEE COc1ccc(C[C@](C)(CO)NC(=O)CCc2c(C)nc3c(C#N)cnn3c2C)cc1OC 1558239405 HLFIXGIOFKGMFR-XMMPIXPASA-N 451.527 2.278 30 10 JEEE C#CCCCn1c(N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)nnc1[C@]1(OC(C)C)CCOC1 1587893560 FXVRFJLETBUMOO-DVECYGJZSA-N 477.606 2.462 30 10 JEEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H](c1cccc(C)c1)N1CCOCC1 1587921937 NEPKOKFFQIQGSE-RCZVLFRGSA-N 453.587 2.382 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H](c1c(F)cccc1F)N(C)C)[C@@H]1CCS(=O)(=O)C1 1588073754 DBTUBKDUCMGXLN-NSISKUIASA-N 493.580 2.337 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CCOC[C@H]1OC 1588186547 YTLLVOMYVCZZGM-VQTJNVASSA-N 484.626 2.061 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OCCC)c(OC)c2)n1CCNS(C)(=O)=O 1589185928 MMZRQIQAKGVEGY-JOCHJYFZSA-N 461.588 2.284 30 10 JEEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1593636562 OASHEUGLINAXSG-JTSKRJEESA-N 481.619 2.178 30 10 JEEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1594679191 ARPNGAVJHFRAGJ-QGZVFWFLSA-N 452.625 2.083 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1595766875 ZRICTBHPIHMRRS-MJGOQNOKSA-N 461.544 2.459 30 10 JEEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccc1 1595884490 MCDPMSCHQZMWDW-SFHVURJKSA-N 451.618 2.167 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1596813308 HXQYLXOXDQPAOY-IRXDYDNUSA-N 469.571 2.477 30 10 JEEE Cc1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CCN2CCOC(C)(C)C2)n(C)n1 1612469563 HTSSVCUYJLNNIR-UHFFFAOYSA-N 478.601 2.366 30 10 JEEE CCS(=O)(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCOC2)CC1 1617261107 AYXRYRBEVCCASL-SFHVURJKSA-N 459.572 2.169 30 10 JEEE C#CCNC(=O)CN1CCCN(C(=O)c2nnn(-c3cccc(C(C)C)c3)c2CCC)CC1 1627015142 KKFRBHHUGCRVMH-UHFFFAOYSA-N 450.587 2.241 30 10 JEEE C=CCn1c(S)nc2cc(C(=O)NCC3CCN(C(=O)C(F)(F)F)CC3)ccc2c1=O 1627918041 HOIVLSRZGJRDEB-UHFFFAOYSA-N 454.474 2.402 30 10 JEEE C#CCN1CCN(C(=O)CN[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2cccc(F)c2)CC1 1654190878 LSOFNJOPIKCJPK-FGZHOGPDSA-N 458.578 2.286 30 10 JEEE N#Cc1ccc(S(=O)(=O)N2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)c(Cl)c1 1660487539 CFKARQISFWNXCW-UHFFFAOYSA-N 457.936 2.436 30 10 JEEE C=CCn1ncc2ccc(NC(=O)N[C@@H](C)C(=O)Nc3cccc(S(=O)(=O)NC)c3)cc21 1664929752 URLMUJZPUPEFPQ-AWEZNQCLSA-N 456.528 2.279 30 10 JEEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@H]1CCCN1CCCO 1689961039 JIFXBAOJEVHIMH-LJQANCHMSA-N 463.586 2.152 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@]1(N(C)C)CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1689993041 UQQQMTNWTSWHJV-LFAGZIFBSA-N 484.670 2.401 30 10 JEEE C#CCN(c1nnc(CC2CCCC2)n1CCc1cccc(C(=O)NC)c1)[C@@H]1CCS(=O)(=O)C1 1689993323 AXHGUHTVDMTRHB-JOCHJYFZSA-N 483.638 2.240 30 10 JEEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cc2c(cc1OC)C[C@@H](C)O2 1690003400 MGKPLFLWRFRWTQ-IQGLISFBSA-N 450.539 2.383 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1nc(C(F)(F)F)cs1 1690033202 SHAIJEAYCMOCPK-CYBMUJFWSA-N 474.534 2.069 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C)s2)n1 1690109045 DUXNMOWMHZSDJA-GOSISDBHSA-N 488.639 2.081 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(C)(C)c2ccccc2F)CC1 1690124026 DEAQKMONCYYPCQ-GOSISDBHSA-N 459.591 2.052 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)CCC 1690245564 JXTCYPWDABLZKD-NMLBUPMWSA-N 469.652 2.465 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC2CCCC2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1690250588 JFKCVEDUHNODNC-DSKINZAPSA-N 451.637 2.462 30 10 JEEE C=C(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1690273331 QMKZWICTMVIDDV-SFHVURJKSA-N 459.639 2.342 30 10 JEEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2F)C[C@H]1C 1690301101 PBFRACYVTIIBNB-QZTJIDSGSA-N 480.610 2.335 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccccc2OCC)CC1 1690375613 PDDXLXDDKKLHIN-FQEVSTJZSA-N 461.588 2.214 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](NC(=O)CC)C1 1690682528 RDUHKVUGEUXLAY-OALUTQOASA-N 452.559 2.337 30 10 JEEE CCn1cc(C2CCN(c3nnc(COc4ccc(C#N)cc4)n3CC(=O)N(C)C)CC2)cn1 1695774753 DEFVHUIHZXXSFT-UHFFFAOYSA-N 462.558 2.417 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@H]1OCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1705568595 RCSNEZXFCAYCLO-IMFGXOCKSA-N 462.547 2.048 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1Cc1ccc(N(C)C)nc1)[C@H]1CCS(=O)(=O)C1 1705569276 ARTJRKIXBDZELR-QFIPXVFZSA-N 478.622 2.313 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H](C)CN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1705569628 IUISXTXXMQLVHN-RBBKRZOGSA-N 470.643 2.013 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2cn3ccccc3n2)nnc1N(C)CCCS(C)(=O)=O 1705706391 TVAMIESMZAOIQP-XMSQKQJNSA-N 472.615 2.369 30 10 JEEE C=C(Cl)Cn1c([C@H]2CCOC2)nnc1N1CCC(C(=O)NCCCN2CCCC2)CC1 1705753697 HIFRDEQKVOHNGY-IBGZPJMESA-N 451.015 2.353 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@]1(O)CCO[C@H]1C 1705886098 SCHYAAYMLVLVIU-OVCNXMPXSA-N 465.595 2.228 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)CCS(C)(=O)=O 1705931208 JCPIPUSYPPXBNI-HNNXBMFYSA-N 486.685 2.213 30 10 JEEE CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)C[C@@H]1C 1710277259 AWIRJMBQXZFRQE-NZQKXSOJSA-N 478.645 2.290 30 10 JEEE CNC(=O)[C@@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1cn2ccsc2n1 1711312768 HZCROOXZMMRKEM-HNNXBMFYSA-N 464.555 2.305 30 10 JEEE COC[C@H]1CCCCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)C1 1712234032 DBNBZWILADLXNW-IBGZPJMESA-N 458.588 2.105 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)Cc1c(F)cccc1F 1722333285 VCJHMZMCPCYAME-IBGZPJMESA-N 467.542 2.329 30 10 JEEE C#CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC1(O)CCS(=O)(=O)CC1 1722354803 ARRRMEUNLCQKGZ-UHFFFAOYSA-N 460.600 2.164 30 10 JEEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@@H](C(C)C)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1722362716 OCGOQWRNANRWTQ-KNQAVFIVSA-N 489.617 2.068 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1722363071 QNQFLBKBOPSFMM-FQEVSTJZSA-N 457.600 2.066 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H]1CCCO[C@@H]1C(C)C)[C@@H]1CCS(=O)(=O)C1 1722369742 FTMSYDIWWPUIFM-MTQWCTHYSA-N 450.605 2.208 30 10 JEEE C#CCN(c1nnc(COCC)n1C[C@@](C)(O)c1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 1722371223 UXGVWDZEZYNBGK-WIYYLYMNSA-N 466.991 2.002 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CC(=O)Nc2c(C)cccc2C)CC1 1722430168 ZNDMQQPZKQMJOQ-UHFFFAOYSA-N 465.602 2.207 30 10 JEEE C=CCCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1722613652 LOASFKHLGLKBSH-BGYRXZFFSA-N 454.623 2.271 30 10 JEEE C=CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1722614842 VMFGBSZSJZZXKN-INIZCTEOSA-N 456.572 2.172 30 10 JEEE C=CCCOCCn1c(N2CC[C@H](S(C)(=O)=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1722628139 WZLBUGRMXYWKTH-KSZLIROESA-N 483.635 2.265 30 10 JEEE C=CCN(CC=C)c1nnc(Cc2c[nH]c3ccccc23)n1CC1(O)CCS(=O)(=O)CC1 1722675861 UASRXKBZHMITQB-UHFFFAOYSA-N 455.584 2.468 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1722699110 BPUVPEJDMAJKAO-HXUWFJFHSA-N 486.020 2.407 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H](C(=O)NC)C1 1722706083 MLQQKFVMMZYWEH-GOSISDBHSA-N 468.602 2.419 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 1722726284 BAXXVWYPJYVIEU-NRFANRHFSA-N 493.674 2.248 30 10 JEEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](c2cccs2)N(C)C)CCO1 1729679449 HTJBKGSXIFVDTK-MOPGFXCFSA-N 465.583 2.132 30 10 JEEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1Cc1ccc(C)n(C)c1=O 1740610120 YTUZFZMJMCQUSB-UHFFFAOYSA-N 457.538 2.190 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1ccc(OCC)cc1)[C@@H]1CCS(=O)(=O)C1 1740620639 GBEXKXQYVOWBPD-HXUWFJFHSA-N 451.552 2.414 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1CCc1csc(CC)n1)[C@H]1CCS(=O)(=O)C1 1740622297 WXJHYVPONBFVMQ-SFHVURJKSA-N 456.597 2.228 30 10 JEEE C#CCN(c1nnc(-c2noc3c2COCC3)n1CC[C@@H](OCC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1740623490 VFIJILPYJIOMCO-IEBWSBKVSA-N 491.614 2.084 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)SC)CC1 1740707899 UTLHXOIFWDUYJF-QGZVFWFLSA-N 452.584 2.446 30 10 JEEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1740817888 XHHDMNVTBAFMJD-WMZOPIPTSA-N 463.970 2.188 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 1740956903 UYWRMHNMYQCYSD-ZDUSSCGKSA-N 457.959 2.299 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N(C)Cc1cnn(-c2ccccc2)n1 1740989662 URXJAABLNYIABX-UHFFFAOYSA-N 464.555 2.158 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCOC2(CCOCC2)C1 1740993147 UABHLSPAQBJOTK-UHFFFAOYSA-N 460.600 2.164 30 10 JEEE C=CCSCCn1c(Cc2ccncc2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1741004404 ZSOAVWXXNMRXBB-UHFFFAOYSA-N 464.599 2.004 30 10 JEEE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3ccc(C#N)cc3)n2CCN2CCN(C)C(C)(C)C2)C1 1741015898 DFHNPQOIMFUZRU-JOCHJYFZSA-N 478.645 2.147 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc(-c2cc(F)ccc2Br)n1CCNS(C)(=O)=O 1741797999 CHMPLBQVQFLEIY-NSHDSACASA-N 459.345 2.134 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2CCN2CCC[C@H](C)C2)c1 1748694827 PZBYFCGWSGCRJF-FQEVSTJZSA-N 477.613 2.189 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CCC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1748809686 VTJYHCGSPKMOGI-FQEVSTJZSA-N 457.600 2.049 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1Cc1cc(F)cc(OC)c1)[C@H]1CCS(=O)(=O)C1 1748812075 PGLCSHFCBUQMST-SFHVURJKSA-N 457.531 2.106 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CC1(O)CCCCC1)[C@H]1CCS(=O)(=O)C1 1748824021 HLDBOGALAWEGIV-FQEVSTJZSA-N 472.611 2.487 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@](C)(OC)C2CC2)CC1 1749003655 QVOVHWDPXTXAKG-VWLOTQADSA-N 499.637 2.130 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2cc(OC)c(OC)cc2CC1 1749039576 WUDYORKMSISQFM-IBGZPJMESA-N 490.651 2.169 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1749073035 DCOUBRLCXCSCMQ-WMZHIEFXSA-N 468.583 2.002 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccc2OC)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1749133948 RWEYISCKRYFUJI-MZKRTTBSSA-N 489.642 2.377 30 10 JEEE C=C(C)COCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(CC(=O)N(C)C)CC1 1749218789 XBJDOWRNQPXCLW-UHFFFAOYSA-N 477.009 2.410 30 10 JEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(NC(=O)N(C)C)cc2)CC1 1749287142 XMYLWXFRCOTFSA-MRXNPFEDSA-N 461.592 2.187 30 10 JEEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(C1)OCc1ccccc12 1749445651 UQOZQLDRFDXMKH-JTSKRJEESA-N 461.588 2.117 30 10 JEEE C=CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCN([C@@H](C)C(=O)NCCCOC)CC1 1749624295 BYCRLMBWYNBPPS-IBGZPJMESA-N 465.602 2.286 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1749666669 PKOHUTYASMIOIV-GOSISDBHSA-N 484.582 2.306 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CCC(C)(C)O)C1 1749696942 FSSQBAZLORSCPT-QGZVFWFLSA-N 462.620 2.489 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(COc3cc(C)ccc3C)n2CCN2CCN(C(C)=O)CC2)C1 1749717646 NVUXGRCZHIYVKK-QHCPKHFHSA-N 482.629 2.419 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCC 1749734010 CVNQDLKAACJMBJ-MRXNPFEDSA-N 457.597 2.034 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C)[C@H](OC)C1 1749739401 BGVDCSGQWBACSO-YLJYHZDGSA-N 459.572 2.191 30 10 JEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2c(F)cccc2F)CC1 1760137596 KXMBANKIPDYQOS-QGZVFWFLSA-N 491.564 2.224 30 10 JEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@@H](C)c2cccc(OC)c2)CC1 1760155193 SQJKIUVHGRNPHT-PZJWPPBQSA-N 471.627 2.485 30 10 JEEE C#CCCCn1c(CCCc2ccccc2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1760157214 IMAPYWMBNDFIEO-QHCPKHFHSA-N 485.654 2.498 30 10 JEEE C#CCN(c1nnc(C2CCCC2)n1CCCOCC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1760187131 IAJISDMPQVDBIV-NRFANRHFSA-N 464.632 2.396 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCc1ncc(CC)s1)[C@H]1CCS(=O)(=O)C1 1760192843 YFYSFYINLZWFSV-SFHVURJKSA-N 487.655 2.028 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@]1(O)CCO[C@H]1C 1760232777 LDGUBGFIXFPQBL-XDHUDOTRSA-N 450.543 2.064 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC2(COC)CCC2)CC1 1760262475 YWKXORQKPGMIAY-FQEVSTJZSA-N 488.633 2.158 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(OC)cc2OC)CC1 1760271069 KPJOAZLJIKETCH-UHFFFAOYSA-N 491.596 2.171 30 10 JEEE C=C(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1760346276 QOKNVTABGIQWNL-UHFFFAOYSA-N 481.649 2.019 30 10 JEEE C=C(C)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCN(C(=O)NCC)CC1 1760347147 GKEORHKYTGOTED-UHFFFAOYSA-N 466.634 2.070 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1760556838 RKCSBTYIZPHHPF-OALUTQOASA-N 461.632 2.397 30 10 JEEE CCN(c1nnc(-c2ccc(C#N)cc2)n1CC1CCN(C(C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1764756475 AOAQDCVZLCNFJO-OAQYLSRUSA-N 470.599 2.089 30 10 JEEE COc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)c(C(F)(F)F)c1 1770199295 CDDBWRJPMDEKRN-XIKOKIGWSA-N 490.483 2.406 30 10 JEEE N#Cc1ccccc1NC(=O)NS(=O)(=O)c1ccc(CNC(=O)CNC(=O)c2ccccc2)cc1 1858669409 CZMORHZPVBSRQK-UHFFFAOYSA-N 491.529 2.115 30 10 JEEE COc1ccc([C@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2CCNC(C)=O)cc1O 1862575530 YYBBRCLAMWUCNW-NRFANRHFSA-N 470.478 2.132 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCNC(C)=O)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1F 1862642734 ORTLIAXAOFASNU-IBGZPJMESA-N 457.414 2.457 30 10 JEEE O=C(C1=C(O)C(=O)N(CCN2CCOCC2)[C@@H]1c1cccc(O)c1)c1cccc([N+](=O)[O-])c1 1862736439 YDFPUIKNSYBMHT-HXUWFJFHSA-N 453.451 2.211 30 10 JEEE C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1c(C#N)nnn1-c1ccc2c(c1)C(=O)N(C)C2=O 1870146109 DLFWJVOHPFBKDB-NSHDSACASA-N 450.842 2.424 30 10 JEEE CCOc1ccc(Cc2nnc(SCC(N)=O)n2/N=C/c2ccc3c(c2)OCCO3)cc1 1874302572 FYRNRQNGPOGCBT-ZMOGYAJESA-N 453.524 2.498 30 10 JEEE COC(=O)c1ccc(CSc2nnc(CNC(C)=O)n2/N=C/c2ccc(OC)c(O)c2)o1 1874432866 BAHMMRXNVNOKNZ-LSFURLLWSA-N 459.484 2.183 30 10 JEEE CCCN(CCC)C(=O)COc1ccc(/C=N/n2cnnc2SCC(=O)OC)cc1OC 1874539037 KKFVJKCBRDNNBW-FSJBWODESA-N 463.560 2.461 30 10 JEEE C=CCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NCCCO)ncnc21 1875228890 KAXSAUSOWAXKTB-UHFFFAOYSA-N 450.543 2.383 30 10 JEEE N#Cc1cncc(C2=CCN(C(=O)CNS(=O)(=O)c3ccc(Br)cc3)CC2)c1 1891512901 WKIYPKOASNRDHE-UHFFFAOYSA-N 461.341 2.310 30 10 JEEE CNC1(C#N)CC(Cn2c(C)nc(I)c2I)C1 2002485431 RRBQJONCOYWULP-UHFFFAOYSA-N 456.069 2.293 30 10 JEEE CC(C)(C)OC(=O)NC[C@@]1(CO)COCCN1Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2162868093 NATBTDCLIWHLBR-XMMPIXPASA-N 462.396 2.074 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H](CC(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2187901398 HYYFQKRLISHWME-HZPDHXFCSA-N 462.356 2.177 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@H](O)CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2255611488 UPLSYDNLHZXFCC-GJZGRUSLSA-N 452.382 2.147 30 10 JEEE C[C@H](CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1F)NC(=O)OC(C)(C)C 2255747222 HFMWGRDZGUKCKF-CYBMUJFWSA-N 458.361 2.316 30 10 JEEE CCCSC[C@@H](NC(=O)OC(C)(C)C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2256597780 JXXGRMMGIPUPJU-GFCCVEGCSA-N 472.442 2.234 30 10 JEEE C=C1CC(NC(=O)OC(C)(C)C)(C(=O)NCC(F)(F)C2(O)CN(C(=O)OC(C)(C)C)C2)C1 2260119797 QNKRRAZUPWIJCV-UHFFFAOYSA-N 461.506 2.333 30 10 JEEE Cc1nc(C(=O)N2CC[C@H](NC(=O)C(F)(F)F)[C@H](C)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2267169052 VYOMHTOUFOGICB-PWSUYJOCSA-N 461.315 2.280 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)[C@H]1CN(C(=O)c2occc2B2OC(C)(C)C(C)(C)O2)CCO1 2267181937 ZNCOUZGKIVBPET-GOEBONIOSA-N 450.341 2.333 30 10 JEEE C[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2267366213 CICBMLWZBKNCQL-DGCLKSJQSA-N 482.355 2.267 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCOC[C@@H]1NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2267417354 BZFPGSVYGKIAPZ-GJZGRUSLSA-N 488.437 2.008 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H](NS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2267473549 HPICFVZJWJDBRV-UONOGXRCSA-N 487.453 2.308 30 10 JEEE Cn1nc(C(=O)N2CC3(CCN3C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2267502332 MBASZWMSZIPKBU-UHFFFAOYSA-N 466.775 2.208 30 10 JEEE Cn1ncc(C(=O)NCc2csc(NC(=O)OC(C)(C)C)n2)c1B1OC(C)(C)C(C)(C)O1 2267513686 QEQYTAURADJANQ-UHFFFAOYSA-N 463.369 2.453 30 10 JEEE CC(C)(C)OC(=O)N1CC(F)(F)C[C@@]1(C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2268676388 JYYDKMRBLBHNOS-SFHVURJKSA-N 474.339 2.233 30 10 JEEE C[C@H](NC(=O)[C@H](O)C(C)(C)NC(=O)OC(C)(C)C)c1nscc1B1OC(C)(C)C(C)(C)O1 2268686673 FUFGLASFARCWCP-WFASDCNBSA-N 469.413 2.284 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 2282043081 LMYODCFBRNMVPN-INIZCTEOSA-N 462.400 2.486 30 10 JEEE Cn1cc(C(=O)N2CCC[C@@H]3[C@@H]2CCN3C(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2282062978 GGVWTBAUWVAIMS-SJORKVTESA-N 460.384 2.333 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@]12CC[C@H]1CN(C(=O)OC(C)(C)C)C2 2282483651 AVBSUTKNUOYJJM-WNSKOXEYSA-N 460.384 2.096 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1 2282528978 ZIEZAMKWCUDYFJ-WOJBJXKFSA-N 450.392 2.313 30 10 JEEE CCc1nn(C)c(C(=O)N[C@H]2C[C@@H](C)N(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2282560180 TUYAUDSZMTUKEC-CABCVRRESA-N 462.400 2.409 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1(C2CN(C(=O)OC(C)(C)C)C2)CC1 2282587618 OGWWQNQNQHAAJA-UHFFFAOYSA-N 460.384 2.157 30 10 JEEE C[C@H]1OC2(CNC(=O)OC(C)(C)C)CC1(NC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1)C2 2282604743 XWLYQWVDVBEFSX-ZOEHTXHGSA-N 479.408 2.387 30 10 JEEE CCCC[C@H](CNC(=O)OC(C)(C)C)NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282856103 NTBANNXOJPCZNW-OAHLLOKOSA-N 486.444 2.081 30 10 JEEE CC1(C)OB(c2ccc(O)c(C(=O)N[C@@H](COCc3ccccc3)CC(=O)O)c2)OC1(C)C 2284466230 OEZFFSAFPQJBOK-GOSISDBHSA-N 455.316 2.481 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)Nc1cc(F)c(B2OC(C)(C)C(C)(C)O2)c(F)c1 2341178674 QZMXMYWFUDCPPP-ZDUSSCGKSA-N 456.295 2.478 30 10 JEEE Cc1ccc(NC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)c(F)c1B1OC(C)(C)C(C)(C)O1 2381154386 LCJRZNMIDOVAPF-AWEZNQCLSA-N 465.331 2.141 30 10 JEEE CCOC(=O)C1=C(C)NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1cc(OC)c(O)c([N+](=O)[O-])c1 20351053 IRBCUSYAIJAGSZ-MENVHETRSA-N 474.466 2.485 30 10 JEEE COc1cc(/C=N/Nc2nnc(SCC(=O)OC3CCCCC3)n2N)cc(OC)c1OC 20919945 NAMXBSYXHFJIJQ-SSDVNMTOSA-N 464.548 2.432 30 10 JEEE COc1ccc([C@H]2/C(=C(/O)c3ccco3)C(=O)C(=O)N2CCCN2CCOCC2)c(OC)c1 103224803 QMLZKLIPWOWJRR-AGGMBTAESA-N 456.495 2.441 30 10 JEEE Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H](C)OC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 853670930 ALZLJFKTSZKIGI-QGZVFWFLSA-N 495.561 2.488 30 10 JEEE COc1ccc(CCNC(=O)CSc2n[nH]c(NN=Cc3cccc(O)c3)n2)cc1OC 1084194669 DWHADPSZAYULFR-UHFFFAOYSA-N 456.528 2.425 30 10 JEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)CCNC(=O)c2cc3ccccc3[nH]2)c1 1125418767 MFHBAHAYUQGORE-UHFFFAOYSA-N 458.518 2.161 30 10 JEEE COc1ccc(C(=O)N2CCN(c3ccc(C#N)cc3)CC2)cc1S(=O)(=O)N1CCCC1 1132310517 HAXPNIXHWCJGRM-UHFFFAOYSA-N 454.552 2.314 30 10 JEEE N#C[C@H]1CN(C(=O)CCc2ccc(S(=O)(=O)NC3CC3)cc2)CCN1Cc1ccccc1 1136758722 HCPUJTJLWFVNDU-QFIPXVFZSA-N 452.580 2.296 30 10 JEEE N#Cc1cccc(OCc2cccc(C(=O)N3CCN(S(=O)(=O)c4cc[nH]n4)CC3)c2)c1 1154230980 AKMJCLJVYLQYLB-UHFFFAOYSA-N 451.508 2.007 30 10 JEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)C[C@H](C)n2cc(Br)cn2)c1 1264809539 KMVRLZTUFWGLPI-INIZCTEOSA-N 459.344 2.470 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1ccccc1Cl)N(C)C 1286296702 RDHZYOKKTSTTEO-DBVUQKKJSA-N 495.049 2.025 30 10 JEEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CC[C@H]1C[C@H](F)C1)[C@@H]1CCS(=O)(=O)C1 1286380245 BKMPLEXGVXZTND-JPAWQOSXSA-N 468.595 2.084 30 10 JEEE C#CCN(c1nnc(-c2cn(C)c3ccccc23)n1C[C@](C)(O)C(C)C)[C@H]1CCS(=O)(=O)C1 1286390057 VXGNQNGGTKJVAC-UUOWRZLLSA-N 469.611 2.471 30 10 JEEE C#CCN(c1nnc(CC)n1C[C@H](c1ccccc1OC)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1286393918 MAWQQIFFRQGMCN-PZJWPPBQSA-N 471.627 2.313 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC[C@H](OC)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1286397388 YZVKPZNMDPUIBS-PMPSAXMXSA-N 464.510 2.114 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1CCCc1nc(C)no1 1286459211 JLWKZQAMAOMVKA-UHFFFAOYSA-N 462.352 2.456 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2[C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 1286480370 MOGBOWFGDKKZHV-BRWVUGGUSA-N 459.538 2.229 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccnc(SCC)c2)CC1 1286490111 LNUVQKTVWIWROT-UHFFFAOYSA-N 464.599 2.200 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@H](C)Oc2cccc(C)c2)CC1 1286490527 XGQVCBJCJADXEO-IBGZPJMESA-N 459.554 2.477 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2CCCn2cccn2)CC1 1286491037 BUFCTRHWMKEMOX-UHFFFAOYSA-N 467.524 2.400 30 10 JEEE C#CCSCCn1c(N2CCO[C@H](c3cnn(CC)c3)C2)nnc1[C@]1(OC(C)C)CCOC1 1286513493 WGKNNXIOPSOYLN-REWPJTCUSA-N 474.631 2.479 30 10 JEEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CC[C@H](CN2CCOCC2)C1 1286535640 JPKQEVZCQNJDAF-DLBZAZTESA-N 458.401 2.069 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2ccc(Cl)s2)C1 1286592470 GVPQYKXLAVZVCZ-HUUCEWRRSA-N 488.035 2.480 30 10 JEEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 1286709918 IFMCBFSMAHGUGC-QGZVFWFLSA-N 455.519 2.057 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1)C(C)C 1286752454 ZRWYHMLAIRXGHD-SFTDATJTSA-N 487.649 2.490 30 10 JEEE C=CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCCN(C(C)=O)C1 1286768324 YVLCLNKBUAWMEX-LJQANCHMSA-N 489.646 2.136 30 10 JEEE C=CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1286769712 NCRGVTDZBOTRTL-UHFFFAOYSA-N 484.601 2.291 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)OCCOC)nnc1N1CCC[C@@]2(C1)OCc1ccccc12 1286780195 MYJVKINWINYMEK-KOSHJBKYSA-N 455.559 2.330 30 10 JEEE C=CCOc1ccc(Cn2c([C@H]3CCCOC3)nnc2N2CC[C@H](S(=O)(=O)NCC)C2)cc1 1286797560 XENVXLHRWHKQGW-FPOVZHCZSA-N 475.615 2.303 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccc3c(c2)C(=O)NCC3)C1 1286798655 MXMUOMFPKUAFRZ-FQEVSTJZSA-N 466.586 2.312 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCNc2nccc(C(F)(F)F)n2)C1 1286799337 UWCBUJDVIOIQEI-OAHLLOKOSA-N 480.495 2.216 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC(=O)N2CCOCC2)C1 1286807045 ZUUUPSLDXRYMPW-QGZVFWFLSA-N 461.950 2.247 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1286820593 NXJORHGHYFWLHG-HNNXBMFYSA-N 464.510 2.468 30 10 JEEE C=CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)C(C)C)CC1 1286835037 PRJYGIQEUALKTR-UHFFFAOYSA-N 462.645 2.493 30 10 JEEE C[C@H](CC#N)N(C)c1nnc(Cc2ccncc2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1288528990 DXQUVTMOZHCLNP-HOJAQTOUSA-N 451.554 2.348 30 10 JEEE CN(C)CCOc1ccc(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)cc1Cl 1293311642 DXYGBLMCUCAQQU-UHFFFAOYSA-N 450.948 2.348 30 10 JEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCO[C@@H](c3ccc(OC(F)F)cc3)C2)cc1 1295951066 GPUQTMQWGYBMJV-LJQANCHMSA-N 450.463 2.413 30 10 JEEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC2(CC1)COC(=O)N2 1300411057 CPLXIBZODNBQGU-KRWDZBQOSA-N 474.562 2.079 30 10 JEEE C#CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1CCCCS1(=O)=O 1300458097 MVDDAICCVASJIQ-MSOLQXFVSA-N 465.620 2.429 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCC(=O)N1CCCCCC1)[C@@H]1CCS(=O)(=O)C1 1300493133 QTNAZTSWHCVSFY-HXUWFJFHSA-N 484.626 2.068 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@](C)(O)c1cc(C)oc1C)[C@H]1CCS(=O)(=O)C1 1300498119 HCVFYAIGWKXLLB-GBXCKJPGSA-N 483.594 2.008 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@@H]1CCC[C@H]1OC)[C@H]1CCS(=O)(=O)C1 1300504274 KYCVGUFNUYKQBM-CMKODMSKSA-N 476.574 2.438 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C2CC2)ccc1F 1300630855 HUXRRYPWGOSUAR-HXUWFJFHSA-N 461.563 2.135 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](CC=C)c2ccccc2)CC1 1300700720 UYDNFCXQTJPSII-VXKWHMMOSA-N 453.612 2.295 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC[C@H]2CCCCO2)CC1 1300716813 RQYJAEPARXBIDC-BWKNWUBXSA-N 473.618 2.244 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2cccc(NC(=O)OC)c2)CC1 1300727446 XXOPXFFLIPTDBZ-HXUWFJFHSA-N 480.569 2.365 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(n2cc(Cl)cn2)CC1 1300761960 FIZXTTRTJVHJFT-OAHLLOKOSA-N 469.036 2.238 30 10 JEEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1300769768 KOPBNJNDEDNQDE-NRFANRHFSA-N 498.701 2.029 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(O)CCSC1 1300805744 HWFASPFQGAORPS-ZQMYSKGWSA-N 477.631 2.447 30 10 JEEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1300844585 PWFIQGWCVHCHSN-SFHVURJKSA-N 481.439 2.215 30 10 JEEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1301248942 MRLHWKRMMZKHFW-SFHVURJKSA-N 461.567 2.001 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1301492683 NBBWLXWEQDQHQN-IBGZPJMESA-N 468.558 2.313 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C)(COC)CC1 1301502755 OVQHFAQUIOKDIN-GOSISDBHSA-N 492.621 2.142 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(OC)CCC(C)CC2)C1 1301538885 LUHNJNNRWSFIRX-KQNFGGRRSA-N 455.625 2.265 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2ccc(OC)cc2OC)C1 1301558289 UYBDKDIZBLQDJY-AZUAARDMSA-N 476.599 2.221 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1301585788 ODZFGPWLLIBQNL-UHFFFAOYSA-N 461.588 2.319 30 10 JEEE C=CCS(=O)(=O)CCn1c(CSc2ccc(C)cc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1301593660 SDJXDSKPTRRUTO-GOSISDBHSA-N 490.655 2.036 30 10 JEEE CCC(CC)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1)N(C)C 1305702533 BYADISAAPDTIER-LEWJYISDSA-N 453.591 2.134 30 10 JEEE CCCc1c(NC(=O)NC2CCN(CCS(C)(=O)=O)CC2)cnn1-c1cccc(C#N)c1 1310576199 HKZCAMUBTZZPGZ-UHFFFAOYSA-N 458.588 2.327 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCOC1 1316089176 BCIQTDBNWJGHJU-NHCUHLMSSA-N 473.599 2.131 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1358894866 YPUDADPFQJTHSR-MJGOQNOKSA-N 459.529 2.458 30 10 JEEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1358921842 LEAWELVESPILIG-INIZCTEOSA-N 484.420 2.479 30 10 JEEE C#CCCCn1c(-c2cc(OC)ccc2Br)nnc1N(C)CCNS(C)(=O)=O 1358922652 MGBAHNYIABNZJB-UHFFFAOYSA-N 470.393 2.115 30 10 JEEE C#CCN(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCS(=O)(=O)N1CCSCC1 1358939444 WVKRJSULALRWMI-INIZCTEOSA-N 467.592 2.005 30 10 JEEE C#CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1CCN1CCCS1(=O)=O 1358942159 LDHQQBFFLDNRFD-UHFFFAOYSA-N 472.796 2.466 30 10 JEEE C#CCN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCCC=C)[C@@H]1CCS(=O)(=O)C1 1358955787 TYWWRPDLZZROEB-LJQANCHMSA-N 476.002 2.454 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@@H]1CCOC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1358959565 LNRPTCGSJFGQKP-FHWLQOOXSA-N 458.584 2.253 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1cc(C)nn1C 1358987247 YFCAEOISLRBUMP-UHFFFAOYSA-N 464.599 2.100 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1nnc2n1CCC2 1358999016 ZZSYGSNCRXIEGB-SFHVURJKSA-N 464.574 2.399 30 10 JEEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1nc2cc(Cl)ccc2s1 1359019145 LIXRUGMFDPTFJX-ZDUSSCGKSA-N 483.019 2.286 30 10 JEEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CCS(=O)(=O)Cc2ccccc2)CC1 1359037815 YERAVMNZIXPELW-UHFFFAOYSA-N 484.651 2.004 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 1359047859 WCGCGDIJYNUVJZ-LJQANCHMSA-N 474.606 2.180 30 10 JEEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1359077660 IGULCYKLONSFQW-HUUCEWRRSA-N 465.414 2.314 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCOC2)nnc1N(C)CCNS(=O)(=O)c1ccc(C)cc1 1359099767 STCXWKQFULTPLL-URVUXULASA-N 489.642 2.486 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1359301881 OKSUISSBLXNORM-OAQYLSRUSA-N 450.587 2.222 30 10 JEEE CC(=O)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCCN2CCC[C@H]2CO)CC1 1359378288 ITLMHJIFNBILNW-QHCPKHFHSA-N 495.628 2.024 30 10 JEEE C=CCN(C(=O)c1cc(S(=O)(=O)CC)ccc1Br)[C@H]1CCS(=O)(=O)C1 1360055227 PHQKBDVDLHEYIH-LBPRGKRZSA-N 450.376 2.058 30 10 JEEE C[C@@H](Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@H](C#N)C1)N(C)C1CC1 1360530663 CXCVZLJNUVPPMS-HNAYVOBHSA-N 457.966 2.073 30 10 JEEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](c2ccccc2)c2cc3ccccc3o2)CC1 1467818968 AQMCPDAHVADELA-JOCHJYFZSA-N 452.536 2.317 30 10 JEEE CCCN1CC[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(S(C)(=O)=O)CC2)C1 1500954054 CBUHTNJGWODHAJ-FQEVSTJZSA-N 486.642 2.474 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCN1CCN(C)C(C)(C)C1 1507520602 PWDUQWMIPDRIIK-GOSISDBHSA-N 486.690 2.031 30 10 JEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCNC(=O)c1cccs1 1507604525 KIPPPKAPYYIFIR-UHFFFAOYSA-N 471.612 2.108 30 10 JEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCOc1ncccc1Cl 1507606312 HQRMJCWAIWZJRC-UHFFFAOYSA-N 474.974 2.392 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1CCCOc1ccccc1)[C@H]1CCS(=O)(=O)C1 1507627766 FYFIRTIEBLARMP-IBGZPJMESA-N 451.552 2.436 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccc(N(C)C)c(F)c2)CC1 1507735727 FYUVPNYHAUKYHY-SANMLTNESA-N 498.603 2.149 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCCCCN2CCCCC2)CC1 1507738607 SEFMRPUAESMHTA-UHFFFAOYSA-N 464.618 2.357 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2cccc(OC)c2)CC1 1508142492 TURQBADQZISKDS-NRFANRHFSA-N 475.615 2.456 30 10 JEEE CC(=O)NC[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCOC2=O)C1 1508355519 BPRDYYKZRCZZDG-IBGZPJMESA-N 451.531 2.012 30 10 JEEE CC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CCO1 1514138416 HNZVICOTOTXTKR-FCHUYYIVSA-N 465.602 2.375 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC1(OC)CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1539219174 BJERJBPMNAUUDP-IDPGXWOASA-N 450.605 2.004 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1Cc1cccnc1OC)[C@@H]1CCS(=O)(=O)C1 1539231383 VDUDXWFDYVQDQF-GOSISDBHSA-N 485.541 2.075 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1cccnc1N1CCOCC1 1539245205 BAKPOVCFJLYUOQ-UHFFFAOYSA-N 457.494 2.206 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCN(C)C2CCCCC2)CC1 1539430735 MXRFWPOSPQQQKH-RUZDIDTESA-N 458.651 2.338 30 10 JEEE C#CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1539507149 RLWWRSIDNYHBTB-CVEARBPZSA-N 464.613 2.341 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCn1cc(Br)cn1 1539556911 JZODQJGIWMOAIP-DNVCBOLYSA-N 481.420 2.222 30 10 JEEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(F)(F)C2(OC)CCOCC2)CC1 1539848424 OHBPIZQFXIHMBB-INIZCTEOSA-N 460.547 2.168 30 10 JEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN(C)C1CCCCC1)C1CC1 1540109452 QEAUBHNDUOJMED-HXUWFJFHSA-N 466.652 2.030 30 10 JEEE C=CCn1c(COc2ccc(Br)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1540860104 KMGJPQYLIWLQCQ-INIZCTEOSA-N 475.347 2.278 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCN(C(C)=O)CC1 1540875157 CNFIUKSMXZIPHH-UHFFFAOYSA-N 467.357 2.135 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCC(S(C)(=O)=O)CC2)cc1 1540877434 UUCOCJYEGDEMSI-UHFFFAOYSA-N 461.588 2.043 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cn2ccc3ccccc32)nnc1N1CCN(CC)[C@@H](C)C1 1540906962 IBLGPJVLMWENCB-IBGZPJMESA-N 456.616 2.412 30 10 JEEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC=C(C(F)(F)F)CC1 1540917249 QSGHKXCLMWFJDU-HNNXBMFYSA-N 481.566 2.229 30 10 JEEE C=CCSCCn1c(Cc2ccsc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1540919735 VPORBZWULLGNOS-UHFFFAOYSA-N 462.645 2.023 30 10 JEEE CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCCN2CCC[C@H]2CO)[C@@H](C)C1 1540982533 STDFYFUEJVHJNQ-CVDCTZTESA-N 465.602 2.111 30 10 JEEE C[C@H](CN(C)c1nnc(-c2ccc(C#N)cc2)n1CC1(O)CCS(=O)(=O)CC1)c1nccs1 1541827954 FPBLEDYKAXYJHI-MRXNPFEDSA-N 486.623 2.453 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](c2ccccc2C)C1 1587860808 BTOPNPBLOVDQHM-CTNGQTDRSA-N 457.600 2.327 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(Br)s2)n1CCOCCS(C)(=O)=O 1588198130 HPWPDWMSFJNBHZ-UHFFFAOYSA-N 485.429 2.293 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC(CN2CCOCC2)CC1 1595476544 LMAMUPJWMGISNK-LJQANCHMSA-N 486.592 2.408 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCN(c2nc(C)cc(OCC)n2)CC1 1595517311 XHEUSVYXGODQIE-UHFFFAOYSA-N 476.585 2.379 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCO[C@H](C#N)C1 1595759421 FEDLEUQVTQPYLD-RTBURBONSA-N 459.572 2.365 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F 1595798806 SXOVNTFNLQZDRQ-CQSZACIVSA-N 476.525 2.162 30 10 JEEE CO[C@@H]1COCC[C@@H]1Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCO[C@@H](C#N)C1 1619540934 DNKBELIERIDAHJ-HSALFYBXSA-N 490.605 2.173 30 10 JEEE C#C[C@H](NC(=O)c1cn(CC)c2cc(N3CCN(C)CC3)c(Cl)cc2c1=O)[C@H]1CCCO1 1633398032 UDECRASIRXOPKM-SIKLNZKXSA-N 456.974 2.337 30 10 JEEE C=CCCC[C@H](NC(=O)c1cc(S(N)(=O)=O)cc(Br)c1Cl)C(=O)OC 1644822441 DRRCMPTWVHBTJE-LBPRGKRZSA-N 453.742 2.378 30 10 JEEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCOc1ccccc1C(C)C)[C@H]1CCS(=O)(=O)C1 1689987882 DTGFYZWEOMBUCS-ICSRJNTNSA-N 485.610 2.058 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ccccc1Br)[C@H]1CCS(=O)(=O)C1 1689988967 ZQTPFAMRAWMJFS-INIZCTEOSA-N 487.383 2.173 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCOc1c(C)cccc1C)[C@@H]1CCS(=O)(=O)C1 1689989609 HGTBVJVIBBDFKO-LEWJYISDSA-N 472.611 2.495 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1Cc1ccc(N(C)C)nc1)[C@@H]1CCS(=O)(=O)C1 1689993709 JYKJWGKEVLMXMF-JOCHJYFZSA-N 478.622 2.199 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1CC1CCN(CCN(C)C)CC1 1690020050 XUEMJCZXSGGUIP-DEOSSOPVSA-N 462.598 2.137 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C)ccc1OC(F)F 1690076810 BNSQYCPUSLUGPF-SFHVURJKSA-N 483.541 2.029 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@@H](C)CN2CCOCC2)CC1 1690112025 OPPVWJYLRJKMCV-LEWJYISDSA-N 470.593 2.281 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2CC[C@@H](F)C2)CC1 1690137568 CVUCXYGLAZZOPU-FPGHNAPASA-N 461.582 2.423 30 10 JEEE C#CCSCCn1c(-c2ccc(Br)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1690161814 QUXQETWBCMQDGZ-INIZCTEOSA-N 461.389 2.288 30 10 JEEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2ccnc(C)n2)CC1 1690182966 IPHDKWPCBKJBJK-UHFFFAOYSA-N 482.639 2.061 30 10 JEEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1690218272 APVXXPMBUJBRCQ-UHFFFAOYSA-N 483.396 2.032 30 10 JEEE C=CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1690642549 VJKWKCLBCPZXKD-MOPGFXCFSA-N 487.649 2.368 30 10 JEEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCc2cc(OC)c(OC)cc2C1 1690675347 XUMLRSJXDNKIGX-UHFFFAOYSA-N 496.593 2.152 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2CCNS(=O)(=O)c2ccc(C)s2)C1 1690700017 MOHAZIIAZWOICG-ZWKOTPCHSA-N 481.644 2.302 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](C(C)C)C1 1690729512 OMEJQNKBHGFVGZ-FQEVSTJZSA-N 459.572 2.191 30 10 JEEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCNC(=O)C2CCC2)[C@H](C)C1 1690859556 QXMUUHQVPKWECV-GOSISDBHSA-N 479.585 2.092 30 10 JEEE CC(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1692353223 FUJPNPNHVUFSRL-OAQYLSRUSA-N 472.615 2.494 30 10 JEEE CC(C)NC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(NC(=O)C2CC2)CC1 1692597835 HABUCMDSXQFDTA-UHFFFAOYSA-N 479.585 2.138 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccnc1OCC(F)(F)F 1705495307 OCMXUJDGYVVDIT-ZFWWWQNUSA-N 457.478 2.023 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@H](CC)N2CCCC2)c1 1705503690 BUDZPTOHFVGYLB-QFIPXVFZSA-N 477.613 2.445 30 10 JEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCCN(C(C)C)C1 1705544761 CQRLAQZHASOOSU-LJQANCHMSA-N 458.632 2.385 30 10 JEEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H](C)CNC(=O)OC(C)(C)C 1705547325 DMYAFXLYWOVXFF-MRXNPFEDSA-N 451.535 2.151 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1cccnc1OCC(F)F)[C@@H]1CCS(=O)(=O)C1 1705566901 RSVQJHFOVIMYOS-QZTJIDSGSA-N 495.552 2.234 30 10 JEEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccnc(OC2CCOCC2)c1 1705574876 QERPRQAHHTVQMI-SANMLTNESA-N 479.581 2.393 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1cc(Br)ccc1F 1705588708 IWASCJBGVSRILK-OAHLLOKOSA-N 496.406 2.496 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC(C)(C)SC)CC1 1705640208 IURZKKBVTGPFRV-GOSISDBHSA-N 478.663 2.483 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCCOCC2CCOCC2)CC1 1705648702 WVXSYHFINYVJFY-JOCHJYFZSA-N 473.618 2.319 30 10 JEEE C=CCCCCn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1705807861 QRMCOLJJAJVOCA-UHFFFAOYSA-N 480.613 2.041 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1705933376 FGJFKOQMSKAMHY-MSOLQXFVSA-N 477.631 2.482 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(Cl)c(F)c1 1705936138 KOXLCDFTSWJFQB-HNNXBMFYSA-N 491.010 2.210 30 10 JEEE CN(Cc1ccc(C#N)cc1)c1nnc(CNC(=O)c2cccs2)n1CCCN1CCOCC1 1711073687 DBDXSUJZPXILRZ-UHFFFAOYSA-N 479.610 2.500 30 10 JEEE C#CCCCCn1c(CN2CCCC2=O)nnc1N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 1722317164 CSTWLTVCZOFHDT-GBXCKJPGSA-N 466.634 2.457 30 10 JEEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)c2ccccc2OCC)CC1 1722321622 INLCNUQQOCSYHT-UHFFFAOYSA-N 452.559 2.191 30 10 JEEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(CC)(CC)NC(=O)OC(C)(C)C 1722351992 MUGRNESPOGNRGG-INIZCTEOSA-N 453.609 2.333 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1CCOc1ncccc1F)[C@@H]1CCS(=O)(=O)C1 1722361679 IXBXYIDVAFWYML-GOSISDBHSA-N 469.542 2.493 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(C(N)=O)cc1 1722398287 ZFRUYMWCRVJEFG-OAQYLSRUSA-N 492.580 2.197 30 10 JEEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2CCNC(=O)OC(C)(C)C)CC1 1722442662 YABSQPSCRPTBCM-UHFFFAOYSA-N 454.575 2.445 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CCc2ccc(OC)cc2OC)CC1 1722449292 PGAXZRNZEDWLHS-UHFFFAOYSA-N 488.592 2.490 30 10 JEEE C#CCSCCn1c([C@H](C)CC)nnc1N1C[C@@H]2[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1722451495 KAORGUUINWKSHQ-ZJPYXAASSA-N 497.687 2.285 30 10 JEEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1722462396 NVOIEIASKYSJEH-QGZVFWFLSA-N 474.656 2.329 30 10 JEEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1722683530 TXWXCAKIKLMOIH-UHFFFAOYSA-N 485.614 2.308 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(c2cccc(O)c2)CC1 1722693176 FVWNZNHUKWRLJX-UHFFFAOYSA-N 486.374 2.370 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCN(C(C)=O)C[C@@H]1C 1722694405 UVAFTFCQHJWVJU-CVEARBPZSA-N 456.616 2.491 30 10 JEEE C=CCOc1ccccc1Cn1c(Cc2csc(C)n2)nnc1N1CCO[C@H](C(=O)NC)C1 1722708603 ZGFRUDUOQCCRTA-FQEVSTJZSA-N 468.583 2.198 30 10 JEEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)c2ncc(C)s2)CCO1 1729679697 BHBQUEJXSPTNST-KSSFIOAISA-N 451.556 2.337 30 10 JEEE COC(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@](C)(O)c2ccco2)C1 1729777129 BFFCBIHCICVLRF-GAJHUEQPSA-N 451.483 2.229 30 10 JEEE N#C[C@@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCCN2CCCCC2)CCO1 1731185970 HVHDJMLTXGDKFY-HXUWFJFHSA-N 471.993 2.466 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(CN2CCC(O)CC2)cc1 1740531069 DVPIWZKNRXLNNB-LJQANCHMSA-N 473.581 2.388 30 10 JEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1740567101 NVMAEDSMFZVYOH-KRWDZBQOSA-N 473.578 2.029 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1Cc1ccccc1CN1CCC[C@@H]1CO)[C@@H]1CCS(=O)(=O)C1 1740617834 XWMAKXOHSKNUAJ-AGILITTLSA-N 499.681 2.423 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(CN2CCO[C@H](C)C2)c1 1740644515 JOHUUXMRZLJPGW-JOCHJYFZSA-N 474.609 2.246 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@H](C)N2CCN(CC)CC2)CC1 1740690878 PLQMUEPPLVRXTR-FCHUYYIVSA-N 483.636 2.338 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3)n2CC2([S@](C)=O)CC2)CC1 1740698969 XLYZKXFVTONCKF-NDEPHWFRSA-N 462.417 2.374 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2Cc2ccc(NC(=O)N(C)C)cc2)CC1 1740704975 ZLFLZGRKCKMYHF-UHFFFAOYSA-N 488.596 2.391 30 10 JEEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1740712169 YYMJZWFVBDIVOK-WOJBJXKFSA-N 489.667 2.425 30 10 JEEE C=CC1CCN(c2nnc(-c3cc(Br)cn3C)n2CCN2CCCS2(=O)=O)CC1 1740837331 ZUYSJGGGDUJMBC-UHFFFAOYSA-N 483.436 2.484 30 10 JEEE C=CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)OC[C@]2(C)C1)c1ccccc1 1740854720 ROZKBFVVWVTDBR-BOCKYXSRSA-N 488.614 2.279 30 10 JEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1740868404 KHWSAIXVFXHGNB-HNNXBMFYSA-N 454.000 2.230 30 10 JEEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1740962519 GEZNVHWGJZFQJF-DFBJGRDBSA-N 466.586 2.469 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CC[C@@H](COC)C1 1740987448 TVEMEFPCRGSCDQ-QGZVFWFLSA-N 456.572 2.409 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1740992566 JFFMGFMKUZYKAT-XMMPIXPASA-N 484.626 2.264 30 10 JEEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(n2cc(Cl)cn2)CC1 1740996491 NNJAXLGBWXECRN-CQSZACIVSA-N 474.056 2.499 30 10 JEEE C#CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CC(=O)NCC)CC1 1748729775 AJKIAFAHMLCGFP-FQEVSTJZSA-N 487.649 2.412 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1cc(OC)c(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1748801802 GYQNROQLDMJXDG-QGZVFWFLSA-N 476.599 2.276 30 10 JEEE C#CCN(c1nnc([C@@H](CC)c2ccccc2)n1CCC1(O)CCOCC1)[C@H]1CCS(=O)(=O)C1 1748804034 CJGPUOPQHYEAQK-VXKWHMMOSA-N 486.638 2.378 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](c1ccccc1)N1CCOCC1 1748874957 GDJKEMZOLRODFZ-HSZRJFAPSA-N 483.576 2.462 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2Cc2cnccc2OC)CC1 1748978866 QUYFLCLBPMYCDJ-UHFFFAOYSA-N 470.375 2.253 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC(C)(C)OC(C)(C)C1 1749118043 BPKBVSWUZZOZHK-BBWFWOEESA-N 455.625 2.263 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1749363848 JFKFEHGAPKRFIS-SESVDKBCSA-N 471.650 2.210 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@H](CC)C2)cc1 1749686071 PFUKAEOSWIACLY-NQIIRXRSSA-N 475.615 2.460 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCS(=O)(=O)Cc1ccccc1 1760114029 FBDKVNFUONSPOK-INIZCTEOSA-N 455.540 2.079 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2C[C@H](C)N2CCOCC2)c1 1760126014 OYQSAQJGXPOLQQ-IBGZPJMESA-N 459.554 2.117 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OCC)CCOC3)n2CC(C)(C)OC)c1 1760126339 VOCPNCVVZMIJDE-DEOSSOPVSA-N 455.559 2.411 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CCOc2ncccc2Cl)c1 1760128358 GGNVUQSWKORHDU-IBGZPJMESA-N 493.955 2.413 30 10 JEEE C#CCN(c1nnc(C(C)C)n1C[C@@](O)(c1ccccc1)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1760182288 HVTXSLGXYOFLNE-FXAWDEMLSA-N 470.517 2.478 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CC1(SC)CCOCC1)[C@H]1CCS(=O)(=O)C1 1760185158 QUARTZVGJACRIC-FQEVSTJZSA-N 485.635 2.356 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1CC(C)(C)N1CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1760190529 XKEVGWCRMSSQOC-TZIWHRDSSA-N 470.643 2.477 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H](C)N1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1760190869 VNDWXRHKQWIMGY-IRLDBZIGSA-N 470.643 2.011 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@]2(O)CCC[C@H]2C)CC1 1760267700 WUWZUJHOOKQCOV-DWXRJYCRSA-N 481.597 2.479 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1760270963 GTOLWLVEHCEPII-FQEVSTJZSA-N 499.015 2.391 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2Cc2ncnn2C(C)(C)C)CC1 1760271665 GBPLBERMWNCWOA-UHFFFAOYSA-N 452.607 2.371 30 10 JEEE C#CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1760277220 DLPKZYDPBYPWTR-QGZVFWFLSA-N 462.597 2.096 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)c1c(C)noc1C 1760295020 LPOKFKSJNOBJMR-QXATTWAWSA-N 476.603 2.012 30 10 JEEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1760313337 MKLVOBZRSCLOMZ-QGZVFWFLSA-N 469.428 2.419 30 10 JEEE C=CCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2nccn3cnnc23)[C@@H](C)C1 1760407937 VEGXCDCVGJIOIP-KRWDZBQOSA-N 466.594 2.171 30 10 JEEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 1760506989 YIHGZQKVSDNGOK-UONOGXRCSA-N 454.622 2.406 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)COC)CC1 1760533480 RKFHIZWEIDYZPK-OAQYLSRUSA-N 455.559 2.428 30 10 JEEE CCC[C@@H](C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1765470456 BFCZBYBTEHVJKR-YLJYHZDGSA-N 472.615 2.383 30 10 JEEE CC(C)(C)OC(=O)N1CCc2c(ncn2CC(=O)ON2C(=O)c3ccccc3C2=O)C12CCOCC2 1772794307 GXXAHPNOPZMZBL-UHFFFAOYSA-N 496.520 2.436 30 10 JEEE N#Cc1ccccc1S(=O)(=O)Nc1ccc(NC(=O)C2CCN(C(=O)C(F)(F)F)CC2)nc1 1858293227 QDGMBIXSAGMQJG-UHFFFAOYSA-N 481.456 2.493 30 10 JEEE CCCC[C@H](NC(=O)c1ccc2c(c1)C(=O)N(CC(=O)O)C2=O)C(=O)N[C@H](C#N)c1ccc(C)cc1 1867648559 FPOFGGYMNHIJOH-LEWJYISDSA-N 490.516 2.345 30 10 JEEE C=CCn1c(C(=O)NCCN(C)C)cc2c(N3CCN(c4ccccc4OC)CC3)ncnc21 1873595367 ZSOLTNZHVWGPKG-UHFFFAOYSA-N 463.586 2.244 30 10 JEEE CC(C)(C)N1C[C@@H](c2nnc(SCCCO)n2/N=C/c2ccc(O)c([N+](=O)[O-])c2)CC1=O 1874276758 AWFAJWAYDZTFPE-FVUPAENESA-N 462.532 2.363 30 10 JEEE CCN1CCN(CC#CCOC2CCN(C(=O)[C@@H](C)Oc3ccc(C)cc3OC)CC2)CC1 1890335784 HMZLAKBTFQKBBE-JOCHJYFZSA-N 457.615 2.419 30 10 JEEE C#CCN(CC(=O)N[C@@]1(C(=O)O)CC[C@H](CNC(=O)OC(C)(C)C)C1)C(=O)OC(C)(C)C 2059565599 BWPFSASXFGZSPP-NYHFZMIOSA-N 453.536 2.121 30 10 JEEE Cc1ccnc(C(=O)N2CC(NC(=O)OCc3ccccc3)C2)c1B1OC(C)(C)C(C)(C)O1 2247833993 PFNOVZNKVUOPPT-UHFFFAOYSA-N 451.332 2.440 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2255832730 QKSLAXWWMHCMSQ-OAHLLOKOSA-N 452.382 2.413 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@H]1NC(=O)c1c(F)cccc1B1OC(C)(C)C(C)(C)O1 2267447637 MKEQWTIJDKKYOB-HZPDHXFCSA-N 450.316 2.147 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@H](CNC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2267485930 HZNTXHJOUKIOBE-CQSZACIVSA-N 467.397 2.056 30 10 JEEE C[C@H]1CC[C@@H](NC(=O)C(F)(F)F)CN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2267717336 BIXILNLJUCZDPU-WCQYABFASA-N 482.355 2.267 30 10 JEEE CN(Cc1sccc1B1OC(C)(C)C(C)(C)O1)C(=O)[C@@H]1C[C@H](O)CN1C(=O)OC(C)(C)C 2268643750 LJTYJQGIFQHXDL-HOCLYGCPSA-N 466.409 2.376 30 10 JEEE Cc1c(C(=O)N2C[C@@H]3CCN(C(=O)OC(C)(C)C)[C@H]3C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281801978 IISAKIRDOVAWIY-HOTGVXAUSA-N 460.384 2.109 30 10 JEEE Cn1ncc(C(=O)N2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)c1B1OC(C)(C)C(C)(C)O1 2281810383 OOMOVJKXSJVHNJ-WOJBJXKFSA-N 450.392 2.313 30 10 JEEE COc1ccc(C(=O)N[C@H]2COC[C@@H]2NC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2281818180 XFQNVVAUIMDTBF-IRXDYDNUSA-N 462.352 2.016 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CN(C(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)[C@]2(CCOC2)C1 2281829352 XJEMBMATGVSHAU-WAIKUNEKSA-N 462.352 2.477 30 10 JEEE CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H]2NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2282025113 KNSRLEHUQPDVAI-MRXNPFEDSA-N 458.368 2.295 30 10 JEEE C[C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)N(C(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)C1 2282033920 AOPIXSVGEPUZTE-CVEARBPZSA-N 462.400 2.485 30 10 JEEE C[C@@H](NC(=O)OC(C)(C)C)C1CCN(C(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CC1 2282034980 OYXLLBDJOUEPMC-OAHLLOKOSA-N 462.400 2.485 30 10 JEEE CCn1cc(C(=O)N2C[C@H]3CC[C@]3(NC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2282039076 QERWLSCFSWCVKO-CMJOXMDJSA-N 460.384 2.332 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)Nc1ncccc1CNC(=O)OC(C)(C)C 2282040864 OOKIRDIVKDXTEU-UHFFFAOYSA-N 457.340 2.391 30 10 JEEE C[C@@H]1CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CC[C@@H]1NC(=O)C(F)(F)F 2282343879 IDKIQJVFHQHDNL-CJNGLKHVSA-N 476.326 2.063 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](O)CN1C(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1F 2282397958 UXUVQZAJKZRNNR-CABCVRRESA-N 464.343 2.225 30 10 JEEE CC(C)(C)OC(=O)N1CC(N(C2CC2)S(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2282500671 ZRDCNPAUPVNQIV-UHFFFAOYSA-N 499.464 2.356 30 10 JEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CCN(C(=O)OC(C)(C)C)[C@H]2COC[C@@H]21 2282558760 KUTFKWOFECKFOL-IRXDYDNUSA-N 462.352 2.348 30 10 JEEE CCc1nn(C)c(C(=O)N[C@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2282560127 MCJDOHXHTRWIBE-GJZGRUSLSA-N 462.400 2.457 30 10 JEEE CC(C)N(CCCNS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2282837004 AMJOZQLJKYVUPY-UHFFFAOYSA-N 486.444 2.033 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CN(c3ccc(N)c(B4OC(C)(C)C(C)(C)O4)c3)C[C@H]2[C@@H]1CO 2283032258 RHLBLEVQVJCKGH-VPWXQRGCSA-N 459.396 2.232 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@H]2C[C@H]1CN(C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)C2 2283063661 XAMDMBLBNLWBIK-PMPSAXMXSA-N 458.368 2.151 30 10 JEEE CC(C)(C)OC(=O)N1CC(O)(CC(=O)N2CCc3cccc(B4OC(C)(C)C(C)(C)O4)c32)C1 2283964632 TZDCSIBEBJQNRY-UHFFFAOYSA-N 458.364 2.247 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCN(CC(=O)NCc2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2283975407 YKBBHYCJOWGWPJ-SFHVURJKSA-N 459.396 2.201 30 10 JEEE C[C@H](OC(C)(C)C)[C@@H](NC(=O)OC(C)(C)C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2284055826 ZWXLNMIXPNERIS-QWHCGFSZSA-N 484.428 2.295 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)O)N(c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2284355513 CVBJYWJGPOTOOC-GOEBONIOSA-N 465.331 2.467 30 10 JEEE COc1ccc(N2C[C@@H](c3nnc(SCCO)n3N=Cc3ccc(C(=O)O)cc3)CC2=O)cc1 2325882754 QLVVOJPUTAGUSK-KRWDZBQOSA-N 481.534 2.472 30 10 JEEE COc1ccc(OCCCc2nnc(SCC(N)=O)n2N=Cc2ccc(O)c([N+](=O)[O-])c2)cc1 2326251996 BYKSXNXZFMSSRI-UHFFFAOYSA-N 486.510 2.372 30 10 JEEE COc1nc(OC[C@@H]2COC[C@H]2NC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2339826117 SAVYZTLVWXZDDI-GOEBONIOSA-N 450.341 2.308 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CC12CC2 2361527414 MZTGGNQADCRMLM-HNNXBMFYSA-N 460.384 2.096 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C12CCC2 2362460451 FFCKLPBEYOQUOJ-CABCVRRESA-N 460.384 2.285 30 10 JEEE C[C@H](NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 2362462089 SBEHHLRVNGSYCL-JKSUJKDBSA-N 462.400 2.485 30 10 JEEE CC(C)(C)OC(=O)N1[C@H](CNC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C[C@@H]2OCC[C@@H]21 2362570443 YJIFHXXGUUJGOM-BPUTZDHNSA-N 479.408 2.339 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@](Oc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C#N)(C(N)=O)C1 2364705430 ZNXGBUDIMSEUFA-QHCPKHFHSA-N 457.336 2.101 30 10 JEEE CS(=O)(=O)C1(C#C[C@@H](NN)c2ccc(I)c(Br)c2)CC1 2367848615 WRPCDUMBGAIJCL-GFCCVEGCSA-N 469.142 2.139 30 10 JEEE COc1cccc2c(C)cc(-n3ncc(C#N)c3NC(=O)[C@H]3CC(=O)N(CCCN(C)C)C3)nc12 170574605 ZIEPVPIIODYUTN-KRWDZBQOSA-N 475.553 2.348 30 10 JEEE C[C@H](OC(=O)CNS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1ccccc1Br 853720546 BPEYECNOKIOURI-LBPRGKRZSA-N 466.313 2.169 30 10 JEEE C#CCN(C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1)[C@@H]1CCS(=O)(=O)C1 918754916 JJWUYUIPOYVMCA-QGZVFWFLSA-N 473.016 2.167 30 10 JEEE COc1cccc(NC(=O)CSc2nnc(NN=Cc3cc(OC)c(OC)c(OC)c3)n2N)c1 1083957440 KNLHOZJHEHAUCP-UHFFFAOYSA-N 487.542 2.203 30 10 JEEE C=CCOC[C@@H](NC(=O)CSCc1nc(O)c2c3c(sc2n1)CCCC3)C(=O)OC 1139175976 OZNPSFFPNGBYPB-CYBMUJFWSA-N 451.570 2.369 30 10 JEEE COc1ccc(OC)c2c1CN(C(=O)N[C@@H]1CCCN(c3ccc(C#N)cc3)C1=O)C[C@H]2O 1234023203 FMFQAOXVCWMTEL-RTBURBONSA-N 450.495 2.330 30 10 JEEE C#CCN(C(=O)NCc1cccc(OCC(=O)NC)c1)C1CCN(C(=O)OC(C)(C)C)CC1 1248521441 OIDGHIJTPQJMFK-UHFFFAOYSA-N 458.559 2.356 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CCCc2cccnc21)[C@H]1CCS(=O)(=O)C1 1286381621 NTBGUSKBBYIAPW-FPOVZHCZSA-N 498.653 2.338 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1286383077 CQIJAMAXYCXNBO-WMZOPIPTSA-N 494.017 2.223 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1286394275 IAWYRMCZTZMUSC-TZIWHRDSSA-N 458.584 2.280 30 10 JEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](C)CN(C)C(=O)OC(C)(C)C)CC1 1286484828 PUJXZYLIJDLBQD-IBGZPJMESA-N 484.649 2.398 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H](C)CN2CCCCC2)CC1 1286488836 VPPADVINQLTIPF-QFQXNSOFSA-N 486.661 2.018 30 10 JEEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCNC(=O)c1cccc(OC)c1 1286722530 ZAFPSMYALBFGPC-UHFFFAOYSA-N 483.598 2.299 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1NC(=O)CC1(C)C 1286741243 FALRVJMHDXGAGH-VQTJNVASSA-N 482.610 2.159 30 10 JEEE C[C@H]1CN(CCCn2c(-c3cccc(C#N)c3)nnc2N2CCC(CC(N)=O)CC2)C[C@H](C)O1 1291289331 IECVVMWABBDBEY-OALUTQOASA-N 465.602 2.408 30 10 JEEE CC[C@@H](C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC1(CS(C)(=O)=O)CC1 1291604889 GGNWGSXZTADMBN-QGZVFWFLSA-N 457.604 2.210 30 10 JEEE C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 1291831321 BDFJAVDXMDHCFN-MRXNPFEDSA-N 453.524 2.371 30 10 JEEE C=CC[C@H](CO)CNC(=O)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 1295808798 NCCRFYZQYHOGEC-LBPRGKRZSA-N 451.408 2.212 30 10 JEEE C#CCCCn1c(COc2ccc(OC)cc2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1300422452 OJTHMDWNWVQUQV-LJQANCHMSA-N 473.599 2.283 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1cc(C(CC)CC)no1)[C@@H]1CCS(=O)(=O)C1 1300488585 SXGAOTCXZMBVAM-GOSISDBHSA-N 471.587 2.245 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H](C)COC)[C@H]1CCS(=O)(=O)C1 1300504343 MKTNGFVWAUHYMH-FHWLQOOXSA-N 495.646 2.259 30 10 JEEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)(C)N1CCc2ccccc2C1 1300603155 XMTINWRLSIVMCZ-GOSISDBHSA-N 458.632 2.185 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@]2(OCC)CCOC2)n1CC1(O)CCOCC1 1300643634 UACGOXQNQYJPIJ-DEOSSOPVSA-N 458.534 2.251 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(F)ccc3Br)n2CC[C@H]2COCCO2)CC1 1300689579 ZBERMJLETCFPSR-KRWDZBQOSA-N 478.366 2.407 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2Cc2ccc(CS(C)(=O)=O)cc2)CC1 1300724714 CINHHWLVPQTQQN-UHFFFAOYSA-N 471.627 2.035 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cn4ccccc4n3)n2CCOCC(=C)C)CC1 1300728888 ISPCRMBCIYAQCO-UHFFFAOYSA-N 461.570 2.075 30 10 JEEE C#CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(S(C)(=O)=O)CC1 1300746539 TXCQJSBOEWTUAD-UHFFFAOYSA-N 470.020 2.055 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CCSC1 1300805740 HWFASPFQGAORPS-JJEOQYAHSA-N 477.631 2.447 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCN(c2ccc(F)cn2)CC1 1301578321 XCFDTOADRMPPHX-UHFFFAOYSA-N 456.547 2.407 30 10 JEEE C=CCS(=O)(=O)CCn1c(Nc2cnn([C@H]3CC3(F)F)c2)nnc1C(=O)Nc1ccccn1 1301596445 PEYLRTABPXPPPH-AWEZNQCLSA-N 478.485 2.046 30 10 JEEE CN(C)[C@]1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)CCSC1 1314651759 AKBKGMHCYVOPJX-UGKGYDQZSA-N 474.656 2.267 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@]1(O)CCO[C@@H]1C 1358885099 CUUBMDWZOIAJPA-SRGWNRLKSA-N 450.543 2.063 30 10 JEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 1358912309 OFFAZRNNTNEPGL-LJQANCHMSA-N 469.611 2.007 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1CCCc1cccc(C)n1)[C@@H]1CCS(=O)(=O)C1 1358960557 HESRVFGCOAYKJZ-OAQYLSRUSA-N 450.568 2.303 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCc1ccc(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1358961990 ICIRSMQAWHJXQJ-PZJWPPBQSA-N 488.610 2.406 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1CC1(SC)CCOCC1)[C@H]1CCS(=O)(=O)C1 1358965021 MHPGJADSMDTXLB-SFHVURJKSA-N 480.681 2.469 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(NC(=O)C2CCCC2)c1 1358978095 CWFXZZLQOCQKTR-OAQYLSRUSA-N 479.606 2.430 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2C[C@@]2(OC)CCOC2)CC1 1359033204 TZFWLGNALIDLRV-QFIPXVFZSA-N 490.402 2.277 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCOc2ccccc2)CC1 1359035966 JQANNYCBUOJUNK-QFIPXVFZSA-N 496.612 2.421 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CN2CCCCCC2)CC1 1359121658 AYHWVURZHJIOQV-OAQYLSRUSA-N 480.679 2.280 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1359187830 YUBABAJANGFKFB-LJQANCHMSA-N 451.575 2.257 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N(C)CCNC(=O)C(C)C 1359294140 LNIZBHUVBRIZQT-UHFFFAOYSA-N 481.370 2.357 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]1c1ccccc1C 1359333007 MDRLHPBSKLDLBA-QUCCMNQESA-N 478.640 2.431 30 10 JEEE C=CCOc1ccc(CNC(=O)c2ccc(S(=O)(=O)N3CCN(C(C)=O)CC3)cc2)cc1 1436196219 ZVPBITGLNIQUGL-UHFFFAOYSA-N 457.552 2.034 30 10 JEEE C#CC[C@H]1CCCN(C(=O)c2ccc(Br)c(S(=O)(=O)N3CCOCC3)c2)C1 1461141639 STPHLLMSDCDXLG-HNNXBMFYSA-N 455.374 2.346 30 10 JEEE C=CCN(C)CCN(CC)C(=O)[C@]1(C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CCO1 1467728393 IJOZAVRMKTZKKL-QHCPKHFHSA-N 455.596 2.301 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCc1ccc(S(C)(=O)=O)cc1 1507515307 XEOWDMXMARNLIQ-INIZCTEOSA-N 452.540 2.030 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2C[C@H]2CCCCS2(=O)=O)c1 1507548757 CSDRXMOCDWXGCX-HXUWFJFHSA-N 478.578 2.364 30 10 JEEE C#CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1507572079 WULCEOAWGGGLTQ-CEXWTWQISA-N 456.591 2.473 30 10 JEEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1507605165 RFTQGSKCVMCVJU-CYFREDJKSA-N 454.575 2.057 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1CCc1nnc2n1CCCCC2 1507654503 IWQIUPZSWFUCKR-UHFFFAOYSA-N 454.538 2.362 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(SCC)c1 1507690618 UNPUMUFOZKGKDI-IBGZPJMESA-N 463.629 2.231 30 10 JEEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1507748280 JSXUASHXLANOKJ-IBGZPJMESA-N 452.005 2.375 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1CCS(=O)(=O)C(C)(C)C 1507770901 ZIBRBNMXIRDMGJ-OAQYLSRUSA-N 463.629 2.475 30 10 JEEE C=C(Br)Cn1c(N2CC[C@](C)(C(=O)NC)C2)nnc1[C@]1(OC(C)C)CCOC1 1507791846 AUWYPUNGETZUKZ-OALUTQOASA-N 456.385 2.190 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCN(CC(F)F)CC2)nnc1[C@@]1(OCC)CCOC1 1507811417 QUIOUWAXPMKLNL-LQBOVUBWSA-N 455.550 2.299 30 10 JEEE C=CCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1507942935 XSUGTUFFKKFJSO-KRWDZBQOSA-N 461.588 2.448 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 1508076859 IBZBRJXEUQMAHR-UHFFFAOYSA-N 452.490 2.250 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2C[C@H](C)[C@@H](N3CCOCC3)C2)cc1 1508096056 AQUUPWUSGHJYIP-UGKGYDQZSA-N 468.602 2.186 30 10 JEEE CC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1)N1CCCC1 1513439457 DCRQWAZBDKGSTE-OAQYLSRUSA-N 471.631 2.209 30 10 JEEE C=C(Cl)C[C@H](NC(=O)c1ccc(N2CCN(C(C)=O)CC2)c([N+](=O)[O-])c1)C(=O)OCC 1535344548 CARUZUPUECNMFV-INIZCTEOSA-N 452.895 2.067 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H](C)OC)c1 1539039731 FYVYLPSKUXYBEM-UUOWRZLLSA-N 455.559 2.410 30 10 JEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](c2noc(C3CC3)n2)C1 1539052737 ISHBSDVXARVMTC-DOTOQJQBSA-N 461.592 2.336 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@](C)(O)c1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 1539215623 HEJSOXLMXYNMRD-KSFYIVLOSA-N 473.986 2.461 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2ccccc2OCC)CC1 1539467368 RXDUAAADSNJIJL-UHFFFAOYSA-N 478.597 2.121 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCN3CCN(c4ccccc4)CC3)n2CC(=C)C)CC1 1539488037 FHEYRKUOZUSPFR-UHFFFAOYSA-N 475.641 2.185 30 10 JEEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1Cc2ccccc2[C@H]1C 1539518449 ZVUNPHTYPIKSQP-APWZRJJASA-N 461.613 2.059 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)CC(C)(C)C1 1539631706 MXEDSOKYHUJYNT-YRPNKDGESA-N 481.663 2.465 30 10 JEEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C(C)C)C1 1539751390 MJEUWCGRJMLAJM-MOPGFXCFSA-N 455.625 2.076 30 10 JEEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1539966165 FXORZUGTXHRMRH-ZWKOTPCHSA-N 483.635 2.266 30 10 JEEE C=CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1540000125 ZWBXBCOBYRSGOU-SFHVURJKSA-N 499.641 2.266 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(C)COCCO1 1540121211 PULMVLLWZSFFLI-XXBNENTESA-N 476.599 2.187 30 10 JEEE COc1ccc(CN(C)C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)cc1OC(F)F 1540607184 BCGGROWBSJXLJE-CYBMUJFWSA-N 453.467 2.494 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(N(CC)C(=O)OC(C)(C)C)CC1 1540861902 KXFQQMGUIOLKBY-UHFFFAOYSA-N 489.621 2.042 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1540869175 DVJDGGBAMKJWLC-KRWDZBQOSA-N 455.563 2.396 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(C)cc3)n2CCC(=O)N2CCOCC2)C1 1540896532 NVCTWSMWZZRGTP-OAQYLSRUSA-N 455.559 2.196 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1540900389 UAMSLJYOWJNWAJ-INIZCTEOSA-N 482.006 2.369 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(C(=O)C(C)C)CC1 1540901734 NNXMQMMGXMOYIQ-UHFFFAOYSA-N 484.626 2.342 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1540905160 UDQBYGKIXORKOJ-UHFFFAOYSA-N 486.642 2.094 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1ccc2c(c1)OCCO2 1540906881 FQXHMOKHNHGBII-UHFFFAOYSA-N 486.598 2.148 30 10 JEEE CC(C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCCN1CCCO[C@@H](C)C1 1545091306 DYSFOGOQPODPMT-UXHICEINSA-N 467.622 2.279 30 10 JEEE CCS(=O)(=O)N(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1548325978 AHVINVSBYFSCDD-OAQYLSRUSA-N 499.641 2.080 30 10 JEEE CN(C)C(=O)[C@H]1CC2(CCN(S(=O)(=O)N(C)C)CC2)CN1c1ccc(C#N)c(C(F)(F)F)c1 1548382004 RYSXLYUODRJVNT-GOSISDBHSA-N 487.548 2.133 30 10 JEEE CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(CCOC)CCCC2)CCO1 1554451430 GZLIQPAKKAAHRE-OAQYLSRUSA-N 482.585 2.277 30 10 JEEE CCOC(=O)c1c(NC(=O)N2CCN(CC(=O)N3CCCCCC3)CC2)c(C#N)cn1CC 1562960081 AKVSKPLSLPBMBL-UHFFFAOYSA-N 458.563 2.108 30 10 JEEE C#CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](Cn2cccn2)C1 1587769438 HGFGWCTWWYLEEW-RTWAWAEBSA-N 499.616 2.492 30 10 JEEE C#CCCCn1c(N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1587893563 FXVRFJLETBUMOO-NTKDMRAZSA-N 477.606 2.462 30 10 JEEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(N2CCOC2=O)cc1 1588011664 HWABKSISMGMEJC-UHFFFAOYSA-N 450.524 2.344 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1cc(OC)c(OCC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1588049983 OSFDOTVDECKZGV-SFHVURJKSA-N 499.593 2.364 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1C[C@H](c1cccc(C)c1)N1CCOCC1 1588171010 QSEUUJIYYXGGFC-XMMPIXPASA-N 474.609 2.359 30 10 JEEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(N2CCOCC2)nc1 1588185138 CDKMBPSZSGTMJM-SANMLTNESA-N 478.597 2.062 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(Br)c3)n2CCC2(O)CCOCC2)CC1 1588762578 LQBCRHVDWDYQNY-UHFFFAOYSA-N 474.403 2.394 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2C[C@@H]2CN(Cc3ccccc3)CCO2)CC1 1588885625 XXNCZTBZWXQQMS-QHCPKHFHSA-N 478.641 2.442 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCC2CCN(CC)CC2)CC1 1588930029 LLZNHNILDOIMJS-JOCHJYFZSA-N 456.635 2.260 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)CN2CCCC2)CC1 1588961722 JYXHUAVDHKZJPC-NRFANRHFSA-N 489.624 2.426 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ncc(CC)s2)CC1 1588962338 ZRIKRTGEJXMMJL-UHFFFAOYSA-N 497.650 2.303 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(Cn2cc(C)cn2)CC1 1593746410 DKHQQQZCPVVBIO-HXUWFJFHSA-N 462.620 2.194 30 10 JEEE C=C(Cl)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC(=O)N(C)C[C@@H]1C 1593884789 KINAWGAISSFZJG-LSDHHAIUSA-N 454.959 2.006 30 10 JEEE C=CCC(C)(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)CCN1CCOCC1 1594472794 ISFOQZMOHXTSHW-UHFFFAOYSA-N 451.579 2.292 30 10 JEEE C=CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)CC[C@H]2C1 1594733355 RNFHVSGTEWOGCG-ROUUACIJSA-N 460.579 2.364 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN(c2nccnc2C)CC1 1595517505 ZRRNOZWIDJMQQB-UHFFFAOYSA-N 492.584 2.080 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1595555581 CYTRMHRJIOSWJA-UHFFFAOYSA-N 483.636 2.305 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CC[C@](C)(N3CCOCC3)C2)cc1 1595607588 HUBMOWDLKKCEPO-VWLOTQADSA-N 468.602 2.330 30 10 JEEE COc1cc(N=C2N[C@@H]3[C@H](O)[C@H](O)C[C@@H](C(=O)N(C)Cc4ccccc4)[C@H]3S2)cc(OC)c1 1614399298 FFVCFUPHXIKICE-ZGJYDULXSA-N 471.579 2.165 30 10 JEEE CCOCc1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@H](C)N1CCN(CC)CC1 1616915549 AFPHOPFGYAGIAA-NRFANRHFSA-N 466.634 2.039 30 10 JEEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCN(C)Cc1ccc(F)cc1 1616922467 AKQFBRSOPBSTGI-IBGZPJMESA-N 493.591 2.462 30 10 JEEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[S@](=O)C(C)(C)C 1617869568 CITZZYAYNYDAPD-PBYQXAPXSA-N 463.629 2.235 30 10 JEEE C=CCCCS(=O)(=O)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1622237145 NOLNNLXXLRCFEY-QZTJIDSGSA-N 456.609 2.150 30 10 JEEE C#C[C@H]1COCCN1C(=O)c1cc(S(=O)(=O)NCc2ccccn2)c(Cl)cc1Cl 1638848375 NYHZKIITSQUVBL-AWEZNQCLSA-N 454.335 2.341 30 10 JEEE Cn1cc(CNC(=O)NC2CCN(S(=O)(=O)C(C)(C)C)CC2)c(-c2ccc(C#N)cc2)n1 1686076899 GAMOYXRKPQSNCE-UHFFFAOYSA-N 458.588 2.351 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(SCC)c1 1689853359 ROZFZLJPBMPNFB-QFBILLFUSA-N 463.629 2.229 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1Cc1c(F)cccc1SC)[C@@H]1CCS(=O)(=O)C1 1689988852 XKQWJIQHAMQQRX-OAHLLOKOSA-N 472.571 2.271 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1689998541 OYNHUPILKXJTAC-YSTOQKLRSA-N 464.632 2.248 30 10 JEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc(Cl)nc1 1690013437 OHXWSJOGQGPRII-UHFFFAOYSA-N 453.959 2.408 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[C@H]1CCOc2ccccc21 1690032442 BLKHBYMKALNBTA-MOPGFXCFSA-N 455.584 2.308 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCNC(=O)OC(C)(C)C 1690101049 MKXWBVVOSQHSDI-UHFFFAOYSA-N 495.584 2.286 30 10 JEEE C#CCN1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2Cc2cnn(C)c2C)CC1 1690124891 WNLJPIZVXYFMKC-UHFFFAOYSA-N 482.633 2.238 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2C[C@H](C)N2CCN(CC)CC2)CC1 1690140134 MVOCJNOCSLNXRJ-QFIPXVFZSA-N 477.657 2.245 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2cccc(C(C)(C)O)c2)CC1 1690152270 FAYQHJHWJBNMQB-UHFFFAOYSA-N 489.624 2.381 30 10 JEEE C#CCSCCn1c(Cc2ccccn2)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 1690177454 WGEPNKNARMEDAM-KRWDZBQOSA-N 470.624 2.475 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCNC(=O)c1ccco1 1690196392 ISSTXXSERYJRIS-XMMPIXPASA-N 496.593 2.211 30 10 JEEE C=CCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1690419504 UPAIUXTZXIHIQZ-IBGZPJMESA-N 459.639 2.152 30 10 JEEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1690473897 KSZRCDBMGZOLRJ-XLIONFOSSA-N 472.615 2.124 30 10 JEEE C=CCCOCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CC(=O)N(C)C[C@@H]1C 1690507135 DWHNTOAVBHUZOY-SFHVURJKSA-N 479.585 2.325 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1C[C@H](C)OC(C)(C)C1 1690668901 MZZPJYFISSNXIN-KRWDZBQOSA-N 479.585 2.371 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1690731252 FPDAGYKSSZJFGP-SOAMZJECSA-N 479.647 2.045 30 10 JEEE C=CCSCCn1c(N2C[C@H](C)[C@H](N3CCOCC3)C2)nnc1[C@]1(OCC)CCOC1 1690750578 NAJQNXBQDOZWGD-JQVVWYNYSA-N 451.637 2.006 30 10 JEEE CN(C)[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1)C1CC1 1696600961 AIIXRLWXFHRKSV-YADHBBJMSA-N 486.642 2.472 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(I)cc1 1705494513 BCGKCRIKZVBYRN-ZFWWWQNUSA-N 484.363 2.291 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@H](C)Oc1ccccc1)[C@H]1CCS(=O)(=O)C1 1705560073 CYXBYXMUFUJBCQ-SKPFHBQLSA-N 488.610 2.024 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CC1CCC(F)(F)CC1)[C@@H]1CCS(=O)(=O)C1 1705561465 QLFYQAIYAVKRMC-NQIIRXRSSA-N 486.585 2.382 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CC[S@@](=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1705567898 BVWKRZAAWIPTSQ-ZUQCGGBESA-N 496.630 2.170 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1csc(-c2ccccc2)n1 1705574176 WZLVLAWDVDTIIX-QGZVFWFLSA-N 468.608 2.327 30 10 JEEE C#CCSCCn1c(-c2cc(Br)cn2C)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1705655063 BYGUNZJHAFBZTJ-HNNXBMFYSA-N 486.461 2.426 30 10 JEEE C=CCCOCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN2C(=O)OC[C@H]2C1 1705826787 JVPRLVHLTCYSDO-CQSZACIVSA-N 451.325 2.269 30 10 JEEE CN(C)CC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1711009692 FSNMKTDFTSEXMD-PMACEKPBSA-N 451.575 2.267 30 10 JEEE COCC[C@@](C)(O)Cn1c(-c2cccc(Br)c2)nnc1N1CCO[C@H](C#N)C1 1712317207 DTPGVSWCFFTWFX-VQIMIIECSA-N 450.337 2.224 30 10 JEEE N#Cc1cccc(-c2nnc(N3CCS(=O)(=O)CC3)n2CCOc2ncccc2Cl)c1 1712878552 HKOUQNMXIIRXKS-UHFFFAOYSA-N 458.931 2.179 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1C[C@H]1CCN(S(C)(=O)=O)C1 1722276198 GEQTWJCEQUDEPM-CABCVRRESA-N 496.431 2.456 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2CC2([S@@](C)=O)CC2)c1 1722306823 FVBGDBYMMZPLPY-MGBGTMOVSA-N 462.579 2.231 30 10 JEEE C#CCN(c1nnc(-c2cccc(Br)c2)n1CCOCC)[C@@H]1CCS(=O)(=O)C1 1722364696 MEMLNUIBLBEXQG-QGZVFWFLSA-N 467.389 2.371 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CC2(CN3CCOCC3)CCCCC2)CC1 1722429625 PGSKJUKGEBJHFE-UHFFFAOYSA-N 499.704 2.234 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3CC)n2Cc2cnn(C)c2C)CC1 1722450280 BUHAUVLJVJCKES-UHFFFAOYSA-N 475.597 2.476 30 10 JEEE C#CCSCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN2CCOC[C@H]2C1 1722459587 NPDAHAUBQXMDHX-VQTJNVASSA-N 490.674 2.280 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccsc2)n1CCS(=O)(=O)N1CCSCC1 1722474277 JPNZQEVRFPLAFS-HXUWFJFHSA-N 465.670 2.301 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccc(OCC)c1 1722475614 WCUYIILGPFAAPL-XUZZJYLKSA-N 487.626 2.245 30 10 JEEE C=C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1722563329 XIKGPDKQYAGEPT-UHFFFAOYSA-N 462.572 2.058 30 10 JEEE C=CC[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](S(C)(=O)=O)C1)c1ccccc1 1722595049 SQGCNXZZLLPNCY-PMACEKPBSA-N 457.600 2.497 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1722691204 OZNVDTGJUXJUDB-RDTXWAMCSA-N 471.493 2.129 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1c1ccccc1C 1722724048 LTNYVNGYIJXAFD-HKUYNNGSSA-N 481.644 2.139 30 10 JEEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@]2(CCc3ccccc32)C1 1722731674 BQHVTDOBFVAAPO-VGSWGCGISA-N 477.656 2.486 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H](c1ccccc1)N1CCCC1 1723933230 DMUPTAQTBXHNPA-KPLVRAHFSA-N 475.594 2.167 30 10 JEEE Cc1cccc([C@H](C)Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@@H](C)C#N)c1 1724169146 DXAVPOOBWHXQKW-NSHGMRRFSA-N 460.604 2.319 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CCC[C@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1740617591 UBBGKPHNDPFTMH-LGVFNWMJSA-N 494.658 2.295 30 10 JEEE C#CCN(c1nnc(C2CCCC2)n1CCCS(=O)(=O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1740623012 MUYJSVVTBKDVLA-HXUWFJFHSA-N 490.651 2.426 30 10 JEEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H](C)CN1CCN(CC)CC1 1740670306 OJVNNZLCQJLOJL-QFIPXVFZSA-N 479.677 2.185 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CC[C@@]2(CCOC2)O1 1740680967 UMVMCIQSUVXQED-UZLBHIALSA-N 464.364 2.460 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](c2ccc(C)cc2)N(C)C)CC1 1740689647 GBWLSPRPVGDCEH-JOCHJYFZSA-N 472.597 2.292 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@H]2CCCCO2)CC1 1740697415 DCZFVGWEEXXLED-LJQANCHMSA-N 455.559 2.295 30 10 JEEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(c2ncccn2)CC1 1740712160 YSQJHHGCGSNTFB-UHFFFAOYSA-N 450.528 2.336 30 10 JEEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1740744054 LIRROXFGMAAASW-INIZCTEOSA-N 453.385 2.419 30 10 JEEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCN(c2nccc(OC)n2)CC1 1740952592 IWUZPDHRRQDFQI-HXUWFJFHSA-N 476.585 2.247 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@H](C(=O)OC)C1 1740987310 RVIYUEZUDWVTEC-JKSUJKDBSA-N 466.535 2.157 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C2CCCCC2)CC1 1740995015 XKUGDIWRULNGDD-UHFFFAOYSA-N 475.663 2.195 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1C[C@@H]1CCN(CCc2ccccc2)C1 1741917432 FHEASJJLSWLOMV-DENIHFKCSA-N 485.658 2.193 30 10 JEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1ccc(S(C)(=O)=O)cc1 1748772493 WRNXLTATDVMEFJ-UHFFFAOYSA-N 486.623 2.068 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1cc(Cl)ccc1OC)[C@H]1CCS(=O)(=O)C1 1748817815 QWPZEIJNPZYXNG-YJBOKZPZSA-N 464.975 2.119 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC[C@@H]2COCCO2)CC1 1749005369 VPPFVXJYRJISMR-AZUAARDMSA-N 485.560 2.329 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2CC2(OCCOC)CCOCC2)CC1 1749010628 OIHWFLZKEQWDDM-UHFFFAOYSA-N 495.624 2.432 30 10 JEEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1749031979 PYPXORAPRYISLX-GOSISDBHSA-N 455.632 2.209 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CC(F)(F)CO1 1749591263 OZTJZIUEBLZWTN-WBVHZDCISA-N 456.515 2.433 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@](C)(OC)C1 1749727235 QOMFXHWGMXADFG-QFIPXVFZSA-N 462.572 2.322 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1749727458 VBCHKTNBOKQCPS-FQEVSTJZSA-N 470.599 2.159 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)C1CCCCC1 1749727463 VEUCZDXRWWMLNQ-UHFFFAOYSA-N 456.576 2.291 30 10 JEEE C=CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@H](C(=O)NC)C1 1749745764 GZTFUUCDBHJODV-SFHVURJKSA-N 492.671 2.077 30 10 JEEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(F)c(F)c1 1749755507 ICAXONADFXWJSQ-GOSISDBHSA-N 487.598 2.445 30 10 JEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1749755876 NGMOZTOILGYWRT-SFHVURJKSA-N 490.630 2.437 30 10 JEEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)c(Br)c1 1760175380 IQSXTODUCLOOQW-AWEZNQCLSA-N 453.362 2.069 30 10 JEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1CCC(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 1760186283 LSKMGNOKUMNQFN-LJQANCHMSA-N 478.018 2.064 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@H](C)N(C)C1CC1)[C@@H]1CCS(=O)(=O)C1 1760188567 BXFGXBPNNSKIKM-FXAWDEMLSA-N 459.591 2.117 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC[S@@](=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1760192983 QJNKQBKNEDDIKF-TXVPWZFVSA-N 498.715 2.371 30 10 JEEE C=C(C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC(NS(C)(=O)=O)CC1 1760345735 RHUJPIDZBJYQBP-QGZVFWFLSA-N 482.651 2.487 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1760518041 GVDISBAUJNMPDW-UHFFFAOYSA-N 475.022 2.299 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 1760526324 KYIAGCGCJYWQMB-UHFFFAOYSA-N 480.529 2.414 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCNc2nccc(C(F)(F)F)n2)C1 1760545665 ZCOWHPQAXLEPGE-HNNXBMFYSA-N 463.468 2.381 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Br)cc2)nnc1N1CCC(C(N)=O)CC1 1760551744 QFDCORDCZPQVKD-UHFFFAOYSA-N 482.404 2.010 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2c[nH]c3ccccc23)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1760553523 DUGLYNZVNHMSAH-HOTGVXAUSA-N 479.628 2.285 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC(S(C)(=O)=O)CC1 1760553911 LSXGMPURCYGRGT-UHFFFAOYSA-N 477.612 2.041 30 10 JEEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1760560569 YRNUUXUCIHLJMH-KRWDZBQOSA-N 484.692 2.036 30 10 JEEE C=CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1760563087 GJNCAGVJVVNEAP-INIZCTEOSA-N 481.644 2.352 30 10 JEEE CC(C)Cc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@H](C(C)C)N1CCOCC1 1761035797 DNQRVIDIWDLPNG-JOCHJYFZSA-N 466.634 2.427 30 10 JEEE C#CCOC(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(Br)o2)cc1 1859010933 HGSMQGSFSSOLOD-UHFFFAOYSA-N 455.286 2.063 30 10 JEEE O=C(C1=C(O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccccc1C(=O)O)c1cccc([N+](=O)[O-])c1 1862740938 XYYABQFEPLWNJX-FQEVSTJZSA-N 481.461 2.204 30 10 JEEE CN(C)CCCNC(=O)[C@@H](CSCc1ccccc1)N=C1NS(=O)(=O)c2ccccc21 1869931886 KXFOHAWADNSAQZ-LJQANCHMSA-N 460.625 2.095 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1CO 2060127499 JAKLAIBXFHAZBS-YESZJQIVSA-N 454.568 2.308 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CC(=O)NCc2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2180980808 MRXHXVKPYRNXIK-MJGOQNOKSA-N 460.380 2.220 30 10 JEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)NCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2180983954 SGTDTXPBCQZUQK-RBUKOAKNSA-N 460.380 2.484 30 10 JEEE CC(C)(C)OC(=O)NCc1cn(CC(=O)N2CC[C@H]3C[C@@]3(B3OC(C)(C)C(C)(C)O3)C2)nn1 2194120294 IQMXYUJCNLGUJG-OYHNWAKOSA-N 461.372 2.388 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2C[C@@H](OC)C[C@@H]2CNC(=O)OC(C)(C)C)C1 2255160897 UHVWPXAGUDXYPE-YOPALGQTSA-N 451.564 2.434 30 10 JEEE CN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1)[C@H]1CCN(C(=O)OCc2ccccc2)C1 2255613800 FMZKRUFWXMCSAN-SFHVURJKSA-N 468.363 2.202 30 10 JEEE CC(C)(C)OC(=O)N1CC([S@@](C)(=O)=NC(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)C1 2255657676 SKHLCLFFJZWEDS-WJOKGBTCSA-N 454.354 2.436 30 10 JEEE CC(C)C[C@@H](CNC(=O)OC(C)(C)C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2256628611 KJNYLMOAVHDJOM-ZDUSSCGKSA-N 454.402 2.385 30 10 JEEE CC(C)(C)OC(=O)NCCCC[S@@](C)(=O)=NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2267098450 ZINLITAYZNLJEQ-JGCGQSQUSA-N 470.401 2.252 30 10 JEEE Cc1nc(C(=O)N2CCOC[C@@H]2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2267162771 RQILPORPYDFHEP-AWEZNQCLSA-N 467.397 2.116 30 10 JEEE CC(C)(C)OC(=O)N1CC(ONS(=O)(=O)c2ccc(Cl)c(B3OC(C)(C)C(C)(C)O3)c2)C1 2267467615 FJYBUFYLKVCYMF-UHFFFAOYSA-N 488.799 2.468 30 10 JEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](CNC(=O)[C@@H]2C[C@@H]2B2OC(C)(C)C(C)(C)O2)[C@H]1OC 2267563028 KBBOAHXUADLZTA-ZHCJQAHYSA-N 454.373 2.234 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)[C@H]1C[C@@H]2C[C@@H]2C1 2268709440 BMHYEFLKERUVIM-XJFOESAGSA-N 464.397 2.137 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)[C@@H]1C1CC1 2282013027 DGHGKGYOZDKSEY-SJORKVTESA-N 458.368 2.294 30 10 JEEE CCc1nc(C(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)CCO2)c(B2OC(C)(C)C(C)(C)O2)s1 2282030109 ANIJBHPHXGFUKZ-AWEZNQCLSA-N 481.424 2.370 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C 2282050730 CYUKHLJXCGVDIG-GOEBONIOSA-N 462.400 2.389 30 10 JEEE CC1(C)OB(c2cccc(F)c2C(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)OC1(C)C 2282143260 MSIYZTLGDIRRFC-VWLOTQADSA-N 454.351 2.492 30 10 JEEE CN(C[C@H]1CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)CCO1)C(=O)OC(C)(C)C 2282191152 VBSGECZOVQJEAS-KRWDZBQOSA-N 461.368 2.089 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@]12COCCN(C(=O)C1(B3OC(C)(C)C(C)(C)O3)CC1)C2 2282555166 OQEQJLNJFQRLLB-QFIPXVFZSA-N 466.384 2.478 30 10 JEEE Cn1cc(C(=O)N2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@@]3(C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2282578958 YMMSGKNNPQYLRC-NPMXOYFQSA-N 460.384 2.048 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1[C@@H]2CCCN(C(=O)OC(C)(C)C)[C@H]21 2282586587 AGQHNZPAUCEHJC-USXIJHARSA-N 460.384 2.155 30 10 JEEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1CCC(C)(C)N1C(=O)OC(C)(C)C 2282681244 VTIVCFBXYWHCJS-AWEZNQCLSA-N 463.388 2.022 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@](F)(CNC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2283057523 VCPWRFRIPIBLLL-XLOAEROZSA-N 464.347 2.149 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](OCC(=O)N=c2ccc(Cl)c(B3OC(C)(C)C(C)(C)O3)[nH]2)C1 2284050268 YJUPJARQPVIKLS-AWEZNQCLSA-N 481.786 2.421 30 10 JEEE CN(CC1(O)CN(C(=O)OC(C)(C)C)C1)C(=O)c1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2287296609 GELJPKKUPOTTSH-UHFFFAOYSA-N 464.343 2.179 30 10 JEEE CCCn1c(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 2314460003 RBNQZKRGWGZTFG-BETUJISGSA-N 490.607 2.338 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CS(C)(=O)=O)C(=O)N1CCC(=CB2OC(C)(C)C(C)(C)O2)CC1 2335515735 ROVTYLDIWGVURK-MRXNPFEDSA-N 472.413 2.105 30 10 JEEE Cc1scc(C(=O)N2C[C@@H](O)C[C@H](NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2343504466 LUFDYNGULRNQHZ-GJZGRUSLSA-N 466.409 2.456 30 10 JEEE CN1CCN(C(=O)OC(C)(C)C)[C@H](COc2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)C1 2345677936 PITWRIJPONZAGN-HNNXBMFYSA-N 451.348 2.450 30 10 JEEE Cn1cc(C(=O)N[C@@]2(C)CN(C(=O)OC(C)(C)C)CC2(F)F)c(B2OC(C)(C)C(C)(C)O2)n1 2361541910 ALOZGJXHAGGZDC-FQEVSTJZSA-N 470.326 2.094 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)NCc3ccccc3CS(=O)(=O)NC(C)C)cc2C1=O 10707380 NQHRWWCWBXMJBL-UHFFFAOYSA-N 455.536 2.226 30 10 JEEE CCOC(=O)c1[nH]c(C)c(/C(O)=C2/C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccncc2)c1C 103227698 RANGFRBUXIXFLL-LAGVDGIJSA-N 496.564 2.347 30 10 JEEE COC(=O)c1cc(NC(=O)COC(=O)/C=C\c2ccc(OCC#N)c(OC)c2)cc(C(=O)OC)c1 104318702 FQVASLBGKROBRR-ALCCZGGFSA-N 482.445 2.366 30 10 JEEE C=CCOc1ccc(NCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1-n1cnnn1 586267503 DSGMPCBUNGSLDY-UHFFFAOYSA-N 453.528 2.317 30 10 JEEE C[C@H](c1cccs1)n1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cnn3ccccc23)c1=O 729672503 QSGUWBYTSXLUKD-MRXNPFEDSA-N 475.599 2.354 30 10 JEEE O=C(O)CCC(=NNc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])c1cccs1 888083989 BUBNUMYVLKLFQN-UHFFFAOYSA-N 468.513 2.358 30 10 JEEE C#C[C@@H](NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)C(C)(C)C 1129738994 OOOKTMSOLYIKJJ-GOSISDBHSA-N 453.992 2.117 30 10 JEEE C=CCNC(=O)c1ccccc1NC(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCO2 1141302551 JHRSVIQKYLRCDM-UHFFFAOYSA-N 459.524 2.071 30 10 JEEE C=CCCC[C@@H](NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(C)=O)cc1)C(=O)OC 1155468694 YGOLOVHTBFVWAY-UXHICEINSA-N 450.557 2.447 30 10 JEEE CCC(CC)CN(CCC#N)CC(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 1167558002 CBJZSCKSZXWUNE-UHFFFAOYSA-N 456.559 2.450 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@H](C)c1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1286394424 JAZQWYIFGQVTPA-FOIQADDNSA-N 485.614 2.175 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccccc1Cl)N(C)C 1286409989 QEYZHWBSMBBFHI-PXNSSMCTSA-N 460.003 2.209 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC2CCN(C(C)=O)CC2)CC1 1286470188 URVMOXWAJDFHFX-UHFFFAOYSA-N 477.613 2.161 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCOCC(F)(F)C(F)F)CC1 1286490524 XGBLPGCILZIHGK-UHFFFAOYSA-N 456.444 2.156 30 10 JEEE C=C(Br)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1286531319 XATSEPXOGGAEFP-ZBFHGGJFSA-N 493.793 2.485 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1286628275 DMWBIWDRWJZJEZ-ZIFCJYIRSA-N 451.015 2.161 30 10 JEEE C=CCCOCCn1c(Cc2csc(C)n2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1286713045 SNIGBPRBMPUBOX-GCJKJVERSA-N 487.674 2.215 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1286823310 UHXUQUXBEGWKEU-HXUWFJFHSA-N 490.655 2.250 30 10 JEEE CCCn1nc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCCC(=O)N(C)C)c2ccccc2c1=O 1294766591 CYRVQMPRECZWBL-DEOSSOPVSA-N 480.548 2.375 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1CCN1CCN(C(C)=O)CC1 1300284456 SFUMEVBENHIMKK-INIZCTEOSA-N 489.418 2.338 30 10 JEEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CC1(C)C)[C@H]1CCS(=O)(=O)C1 1300484854 UWRBCSGSDFQGLO-ROUUACIJSA-N 476.624 2.021 30 10 JEEE C#CCN(CC#C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1300513559 YXVYUESDWSIJNI-LEWJYISDSA-N 469.611 2.389 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)Cc1cccs1 1300631614 UFMLOENMCXRXQA-SJLPKXTDSA-N 451.618 2.011 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)ccc3Br)n2CCc2ccn(C)n2)CC1 1300688992 OGKWBXWAKUCLSX-UHFFFAOYSA-N 484.402 2.448 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H](CC(C)C)N(C)C)CC1 1300708619 WUKGUSZOJNYAOK-LJQANCHMSA-N 457.648 2.001 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](C)Oc2ccccc2C)CC1 1300719528 DZJLAXOGFRTFLC-LJQANCHMSA-N 461.570 2.420 30 10 JEEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1300745121 FZCJCGVDQARSJI-GOSISDBHSA-N 474.034 2.103 30 10 JEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@H](C)c2cccc(OC)c2)CC1 1300756916 WJEWKHJVUDOCHZ-WIYYLYMNSA-N 468.627 2.487 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(CO)CC1 1300867960 ALGYIGUQYWYAMT-UNMCSNQZSA-N 489.642 2.385 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](OCC(C)C)C1 1300885387 PFTYHTQBCJEFGI-WCIQWLHISA-N 452.621 2.413 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1300891721 MLMQNQRUNGXPQB-JTAQYXEDSA-N 472.634 2.370 30 10 JEEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2cc(F)ccc2OC)CC1 1301016619 ADGCQCQAVVTEGW-OAHLLOKOSA-N 487.001 2.111 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1301492264 CIUIXKKRMJXDNP-KRWDZBQOSA-N 486.573 2.322 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1301569491 XKEMIPOEWLTSJQ-QFBILLFUSA-N 450.609 2.111 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCS(=O)(=O)CC1 1301576751 ZRTRAFJUCWKQLR-UHFFFAOYSA-N 466.629 2.078 30 10 JEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2ccccc2Cl)C1 1301593895 XCGXYFXLUBPPBV-IBGZPJMESA-N 494.017 2.233 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCc2cc(OC)c(OC)cc2CC1 1301596657 VEQPEHZDXMWDJL-LJQANCHMSA-N 476.599 2.353 30 10 JEEE COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N2CCCCCC2)CC1 1315117742 FRXMHFVNDFWCRB-UHFFFAOYSA-N 465.558 2.498 30 10 JEEE COc1ccc(Cn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N2CCC(C#N)CC2)cn1 1315486085 BGKCLDKOYTUVNY-UHFFFAOYSA-N 481.582 2.387 30 10 JEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2ccc(=O)n(-c3cccc(F)c3)c2)c1 1355984085 NCYCQYBDLCFAQO-UHFFFAOYSA-N 459.477 2.464 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1ccc(OCCC)nc1)[C@H]1CCS(=O)(=O)C1 1358965264 RBGHOEKVELVKOO-NRFANRHFSA-N 480.594 2.123 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCN(C)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1358966478 PTLRUSUXDKHPSL-JOCHJYFZSA-N 487.674 2.031 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@H]1CCOC[C@H]1OC 1358976537 HSVNPNPRHJSCKG-SIKLNZKXSA-N 474.565 2.360 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCC[C@@H](C)C1 1359025126 DKZBZQWQUXEMCA-RTWAWAEBSA-N 490.649 2.404 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2cccnc2OCC)CC1 1359041692 FNCOOWYWIBTIPX-SANMLTNESA-N 496.612 2.127 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C(=O)NCCCC)CC[C@@H]1C 1359056225 AVUSRVLPZUJIEP-GBESFXJTSA-N 481.688 2.068 30 10 JEEE C=C(Br)Cn1c(Cc2ccccn2)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1359085391 MHJQPPJVDIULEY-KRWDZBQOSA-N 484.420 2.203 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1359099674 RJGKGQQBDSNOBQ-KNQAVFIVSA-N 491.662 2.011 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1359118383 GFJJIJACQZMHEF-LJQANCHMSA-N 486.642 2.058 30 10 JEEE C=CCCCn1c(N2CCN(C(=O)COC)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1359221349 YOOSRCTVWQPCJE-HDICACEKSA-N 462.595 2.310 30 10 JEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)c1ccccc1Cl)C1CC1 1359251679 RWZIMEHCEMUTLY-DENIHFKCSA-N 496.033 2.327 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)c1ccccc1Cl)C1CC1 1359251682 RWZIMEHCEMUTLY-UGKGYDQZSA-N 496.033 2.327 30 10 JEEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)Cc1cccc(C#N)c1 1359293086 GLGDNGHNXLXLQR-UHFFFAOYSA-N 492.609 2.357 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCC(N2CCCC2=O)CC1 1359303815 BQXPQKWYFWVLGB-UHFFFAOYSA-N 466.586 2.367 30 10 JEEE C=CCOc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CCC(S(C)(=O)=O)CC2)cc1 1359308168 GEMYRWPMTHIGRB-UHFFFAOYSA-N 473.599 2.027 30 10 JEEE C=CCOc1ccccc1Cn1c(-c2cnn(C)c2)nnc1N1CCC(NC(=O)COC)CC1 1359309983 IXPJPDIHQMSTDG-UHFFFAOYSA-N 465.558 2.023 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1359330966 IIQQLIMTQFZCRR-IBGZPJMESA-N 470.603 2.299 30 10 JEEE C=C(C)CN1CCC(NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c2ccccc2Cl)CC1 1464910203 UVVHRMUJUJESSG-IBGZPJMESA-N 456.008 2.030 30 10 JEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NC[C@H]3CCCN3C3CCCCC3)CC2)cc1 1478537010 BTYRRMJUTHIPTO-OAQYLSRUSA-N 459.616 2.371 30 10 JEEE C#CCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1507577554 RBMYOJBVBJCDLA-UHFFFAOYSA-N 458.526 2.287 30 10 JEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1nccn1C(F)F 1507617702 YQXGPCFOWMVSSZ-CQSZACIVSA-N 451.478 2.296 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CCCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1507639156 JOSVYVCBIJYUMW-HXUWFJFHSA-N 475.590 2.109 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccc3Cl)n2Cc2cnnn2C)n1 1507715952 DYJRUYRCZRWZEY-UHFFFAOYSA-N 465.949 2.258 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCOCC(F)F)CC1 1507734170 SOSDENDNEZIRRB-UHFFFAOYSA-N 488.539 2.395 30 10 JEEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCN(c2ccnc(C)n2)CC1 1507779588 PJOABNLYDSLJQS-HNNXBMFYSA-N 466.384 2.336 30 10 JEEE C=C(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1507832154 PMOQMSIHCRKTQK-LJQANCHMSA-N 459.620 2.432 30 10 JEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(-c3n[nH]c(C)n3)cc2)CC1 1507880346 HOQUMKNBELCBTO-OAHLLOKOSA-N 456.576 2.187 30 10 JEEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1507941655 IDFBBEADGAPELH-NRFANRHFSA-N 486.642 2.058 30 10 JEEE C=CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1508042766 WSYQRIPGDVPRGS-HXUWFJFHSA-N 465.602 2.466 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCc2cnn(C)c2)C1 1508119633 XIWLXUVMCPEBRZ-HXUWFJFHSA-N 470.599 2.496 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3ccccc3n2)nnc1N(C)CC(=O)NC(C)C 1508135242 GMKMUAAQXZAERA-UHFFFAOYSA-N 456.572 2.055 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 1508137584 NXQYVTJQLKTQDP-UHFFFAOYSA-N 488.639 2.217 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCO[C@@H](c3ccccc3F)C2)nnc1[C@@]1(OCC)CCOC1 1508150052 ZBHIYFXEKKUCIB-NFBKMPQASA-N 494.589 2.248 30 10 JEEE CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)C(C)C)C1 1515010122 HBPBWMIVCHYRIM-HXUWFJFHSA-N 451.575 2.332 30 10 JEEE CCS(=O)(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1CCNC(=O)OC(C)(C)C 1516793276 DUXTYQLYAOMXGD-UHFFFAOYSA-N 462.576 2.212 30 10 JEEE COc1cc(-c2nnc(N(C)[C@@H](C)CC#N)n2CC(=O)N2CCOCC2)ccc1OC(C)C 1517957678 HVWQEYPKLDNKRL-KRWDZBQOSA-N 456.547 2.338 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CCS(=O)(=O)C1 1539015159 SZJDCFRBMSNSHG-KSZLIROESA-N 465.620 2.285 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)c1nc(-c2ccccc2)no1 1539015434 QESBOGOJYUKSNL-SOLBZPMBSA-N 454.556 2.492 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCCO3)n2CC2([S@@](C)=O)CC2)c1 1539044207 ZKHIJHPVGTZXMP-PSTIOWGYSA-N 455.584 2.487 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1Cc1ccc(C#N)o1)[C@@H]1CCS(=O)(=O)C1 1539213328 XWLNFVMONPAKND-QGZVFWFLSA-N 451.508 2.093 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC1(CCOC)CCC1)[C@@H]1CCS(=O)(=O)C1 1539215322 ACGDUTWFOKWVED-LJQANCHMSA-N 457.600 2.482 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCN1CCOC(C)(C)C1 1539423046 QAODWUADBSFFHE-BGYRXZFFSA-N 490.649 2.246 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2cn(CCCC)nc2C)CC1 1539429701 BUUAHAYXZLOQJH-XMMPIXPASA-N 455.607 2.039 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC(C)(C)c2ccccn2)CC1 1539429921 FCDNGWSLBZNWGW-VWLOTQADSA-N 452.603 2.447 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3c(C)cc(Cl)cc3C)n2CCS(C)(=O)=O)CC1 1539431300 QZFJCVJTKDPXRB-GOSISDBHSA-N 480.034 2.488 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@]2(O)CCO[C@H]2C)CC1 1539470645 UKTMTFJGBNYTAG-FYSMJZIKSA-N 489.523 2.052 30 10 JEEE C#CCSCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1539497124 KKCNZMPOBIPRCI-OXQOHEQNSA-N 461.563 2.265 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(O)(c2ccccc2)CC1 1539751406 MQNQTURDULAFFN-IBGZPJMESA-N 460.600 2.261 30 10 JEEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(C)(C)OC(C)(C)C1 1539968084 WNMFDGAIUQOVIG-QGZVFWFLSA-N 455.625 2.361 30 10 JEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC(=O)Nc1cc(Cl)ccc1Cl 1540352254 FXTFWOMJKGSDMK-NSHDSACASA-N 455.323 2.287 30 10 JEEE C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1540854642 VRZPHTNQDSGXPI-UHFFFAOYSA-N 457.398 2.472 30 10 JEEE C=CC1(CC(=O)N[C@@H](CC(C)C)C(=O)N2CC[C@@H](N(C)C)C2)CN(C(=O)OC(C)(C)C)C1 1556828618 XDTJJJQYMWKMEA-MOPGFXCFSA-N 450.624 2.493 30 10 JEEE C=C(C)C[C@H](NC(C)=O)C(=O)NC1CCN(C(=O)CCCN(C)C(=O)OC(C)(C)C)CC1 1557682695 PXGGMAMTMQZMJD-IBGZPJMESA-N 452.596 2.212 30 10 JEEE C#CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](Cn2cccn2)C1 1587769439 HGFGWCTWWYLEEW-SFTDATJTSA-N 499.616 2.492 30 10 JEEE C#CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@H](COC)C1 1589053612 RFHAIYMODVRQDQ-KRWDZBQOSA-N 462.645 2.467 30 10 JEEE C=C(Br)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(NC(C)=O)CC1 1589403639 AQQYKIUCVUVBQO-UHFFFAOYSA-N 489.422 2.466 30 10 JEEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)[C@H](C)CS(=O)(=O)CC 1589484074 QYWLGBWUAYMORU-ILXRZTDVSA-N 465.414 2.170 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1589559459 RSOXLQYZGQWIHI-KNQAVFIVSA-N 474.631 2.153 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCc2c(ccnc2O)C1 1589731204 CEWWLFSMBJSVDE-UHFFFAOYSA-N 454.556 2.435 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCN2C(=O)NC[C@H]2C1)C(C)C 1595170787 JULRDFADDKNJBS-QHAWAJNXSA-N 457.623 2.085 30 10 JEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC(c2ncc(C(F)(F)F)[nH]2)CC1 1597561154 HWIABXIOPCONNT-GFCCVEGCSA-N 455.462 2.373 30 10 JEEE CC(C)COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCOC[C@@H]2C)CC1 1607630857 FLACTXKAFXHFHX-FQEVSTJZSA-N 481.601 2.452 30 10 JEEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCOC[C@@H]2c2noc(-c3ccccc3)n2)c1 1611436843 UGLYVNYZZFEMAA-LJQANCHMSA-N 454.508 2.415 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1ccc(N2CCCC2)nc1 1611696247 DUFKFLBBIFSGLS-JTSKRJEESA-N 472.619 2.062 30 10 JEEE CCS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H]1C1CCC1 1617399330 GIAOWUZEDNVFGA-FQEVSTJZSA-N 458.588 2.437 30 10 JEEE Cc1ccc(C(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1S(=O)(=O)NC1CCCC1 1623849570 CXRIHENOFUOHHY-UHFFFAOYSA-N 453.568 2.445 30 10 JEEE C=CC[C@@H](CO)CNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1 1624243372 NLROTPCYWWRCRD-OLZOCXBDSA-N 451.408 2.212 30 10 JEEE COc1ccc(CNC(C)=O)cc1S(=O)(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 1668046881 FLQWFXQNJBWPIV-UHFFFAOYSA-N 458.540 2.266 30 10 JEEE N#Cc1ccc(S(=O)(=O)N2CCC(CNC(=O)C(F)(F)F)CC2)cc1Br 1668940088 BOVFMWZUDJVJEK-UHFFFAOYSA-N 454.268 2.400 30 10 JEEE C#CCn1ccc(CN(CCOC)C(=O)NCc2ccc(N3CCN(CC)CC3)c(F)c2)n1 1678384796 IWIQCYCSXZDAEN-UHFFFAOYSA-N 456.566 2.156 30 10 JEEE C#CCCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1689893335 XPQGSGJFFYFBAU-YLJYHZDGSA-N 459.572 2.112 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1689982314 KPDJDEYOULVEOX-KKSFZXQISA-N 468.526 2.334 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC1(O)CCS(=O)(=O)CC1 1690026819 MJOCIJUALZYTJP-UHFFFAOYSA-N 484.622 2.167 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cccnc1OC 1690077771 WIUYTGYMGFQPEZ-SFHVURJKSA-N 456.547 2.498 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1Cc1ccc(C)cc1O[C@@H]1CCOC1 1690099825 MVOHDPBCXNVSIC-OAQYLSRUSA-N 450.543 2.289 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCN2CCOC[C@H]2C)CC1 1690111740 ITJBMLDKKCONPB-WOJBJXKFSA-N 456.566 2.033 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCCN2CCN(CC)CC2)CC1 1690114629 BBKTWXSNOLAVKZ-UHFFFAOYSA-N 487.599 2.329 30 10 JEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1690154796 ZXXZXZZBPTZJBS-UHFFFAOYSA-N 455.563 2.120 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(CCOC)C(=O)C1 1690238966 PWLSPEHRGNVXMB-MBSDFSHPSA-N 485.585 2.239 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1690251746 YRTDIVQAWOGWII-NQIIRXRSSA-N 474.606 2.439 30 10 JEEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1690299178 IOEKBTVRQIVVSO-OAQYLSRUSA-N 482.633 2.123 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC2(CC1)CNC(=O)C2 1690661210 WXIQZKZGOMZMFC-LJQANCHMSA-N 466.586 2.444 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1690678193 OAQAONCXVJHXOQ-QKNQBKEWSA-N 474.650 2.488 30 10 JEEE Cc1nnsc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1692935551 AEYVXEVZQZKRGW-AWEZNQCLSA-N 472.600 2.137 30 10 JEEE CN(C)C(=O)CCCn1c(CN2CCCC2=O)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1696582466 DKJLJXYORJQFDG-UHFFFAOYSA-N 479.585 2.188 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H]1CC(=O)N(CCOC)C1 1705602175 KSWUMOBQYUVBQY-SFTDATJTSA-N 498.628 2.308 30 10 JEEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1C(F)(F)F 1705621928 SHSUJLNFNARFHY-AWEZNQCLSA-N 459.494 2.041 30 10 JEEE C=C(C)COCCn1c(-c2cccnc2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1705734546 SLLYPCSXGZHOTI-REWPJTCUSA-N 467.618 2.312 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ccccc2Cl)CC1 1705894682 HHIHCLIJYURVPV-UHFFFAOYSA-N 480.960 2.208 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(C(=O)OCc2ccccc2)CC1 1705900064 OSSHXNGRDNYHIT-UHFFFAOYSA-N 461.526 2.101 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H]2CCC[C@H]21 1705931551 SOTTZXJYMQZIBN-YLJYHZDGSA-N 493.655 2.175 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCN1CCN(C(C)=O)CC1 1722297004 XBCVGJHEFLTOOX-IBGZPJMESA-N 487.649 2.015 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCCc2ccccc21)[C@@H]1CCS(=O)(=O)C1 1722357759 ABPVJWRPAFZSSQ-VQTJNVASSA-N 469.611 2.163 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1cccnc1OCCC)[C@@H]1CCS(=O)(=O)C1 1722364174 DXIAPQUJXZZKHR-OAQYLSRUSA-N 480.594 2.123 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@H](C1CCCCC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1722367157 UYJNIAITSQVHKA-DHIUTWEWSA-N 484.670 2.401 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CC1(N(C)C)CCC1)[C@H]1CCS(=O)(=O)C1 1722370954 SUTNSALQWUQENT-FQEVSTJZSA-N 471.627 2.277 30 10 JEEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1Cc1nnc(C)s1)[C@H]1CCS(=O)(=O)C1 1722372283 SVFTYUMTKFDLRD-SFHVURJKSA-N 486.623 2.309 30 10 JEEE C#CCN(CCOC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1Cc1ccn(C)n1 1722429620 UCSVADOZIBBYOG-UHFFFAOYSA-N 457.579 2.260 30 10 JEEE C#CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(CCC(N)=O)CC1 1722458954 YMBHWEWNCRAOKJ-UHFFFAOYSA-N 465.583 2.442 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C[C@H]2CCOC2)CC1 1722495690 YKLRPELUCJTIKE-URVUXULASA-N 474.650 2.336 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCOc2cccc(C)c2)CC1 1722566703 XFQOAERIZPXWPG-FQEVSTJZSA-N 461.588 2.155 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2cccc(F)c2F)CC1 1722692884 ZYAKTRRERDGKTD-UHFFFAOYSA-N 475.544 2.104 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC)[C@@H](C)C1 1722730919 HMKUHAYWIDHRGD-ROUUACIJSA-N 462.620 2.032 30 10 JEEE CC(C)C[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1723358186 AIGUZIYRHALOSH-XXBNENTESA-N 473.599 2.151 30 10 JEEE C[C@H](CC#N)N(C)c1nnc(C(=O)N2CCCC2)n1CCCN1CCN(c2ccccc2)CC1 1723768563 DPZQTEXOBIBPKU-OAQYLSRUSA-N 464.618 2.465 30 10 JEEE CCC(CC)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)CC1)N(C)C 1727164011 FNHDJSPSVZEJNF-NRFANRHFSA-N 473.647 2.265 30 10 JEEE CCCn1nc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H](C)COC)c2ccccc2c1=O 1728161840 AHKVXXQHMYTXDZ-IRXDYDNUSA-N 451.531 2.076 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC[C@H]1CCc2ccccc21)[C@H]1CCS(=O)(=O)C1 1740616332 YZXLBNUPZBCTIS-UXHICEINSA-N 469.611 2.163 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1CCCN(C)CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1740622140 VKFUSYNWZUZUSA-QGZVFWFLSA-N 499.559 2.465 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@]1(O)CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1740628729 SQPOMZAEIWBOHX-YBZAYSDLSA-N 478.659 2.375 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC2CCCC2)nc1 1740640317 KLLHTCKKFQXRER-IBGZPJMESA-N 453.568 2.018 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCc2c(F)cccc2F)CC1 1740704902 VXBOMIPCWRHMST-UHFFFAOYSA-N 453.497 2.165 30 10 JEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1740709266 DJRYBNOAKMFGGJ-QGZVFWFLSA-N 462.620 2.326 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(N(CC)CC)nc2)CC1 1740824766 BPMOAJMOXXBNEJ-HXUWFJFHSA-N 489.646 2.057 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC[C@H](c3ccnn3C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740966569 ZXNWNLNBBWQEEU-GBESFXJTSA-N 498.632 2.469 30 10 JEEE C=CCSCCn1c(C2CCCC2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1741001038 JLIISTPYYHBNIH-LJQANCHMSA-N 469.677 2.486 30 10 JEEE CC(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)OC(C)(C)C)CC1 1741033704 FZDKRMKWDVNUGJ-UHFFFAOYSA-N 453.547 2.400 30 10 JEEE C[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1)Oc1ccccc1F 1741854404 GBQAPHMQJIROJW-STXHMFSFSA-N 451.499 2.229 30 10 JEEE C[C@@H]1SCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(C(N)=O)CCOCC2)[C@H]1C 1743396187 AABUDYXYQAUHLI-IRXDYDNUSA-N 470.599 2.341 30 10 JEEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1748771314 KBZHQMBYRIKDGA-RDGATRHJSA-N 453.587 2.003 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1Cc1c(CC)nn(C)c1CC)[C@@H]1CCS(=O)(=O)C1 1748808208 BGMULWPYHZLDHX-LJQANCHMSA-N 496.637 2.487 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H]1CCO[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1748808907 IPIWHJYHPYELEO-GUDVDZBRSA-N 488.610 2.404 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC(=C)Br)[C@H]1CCS(=O)(=O)C1 1748811442 HAAPBIRPMVJSFB-HNNXBMFYSA-N 450.362 2.184 30 10 JEEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CN(Cc2ccccc2)CCCO1 1748830500 XKRBRDZITKQGAK-SQHAQQRYSA-N 477.609 2.294 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1c(CC)nn(C)c1CC 1748876392 DGIIBCLBEJNQEC-UHFFFAOYSA-N 468.569 2.290 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccco1)N1CCCCC1 1748962432 HTPZUQNLOLOQOP-VQTJNVASSA-N 475.615 2.086 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)c2ccc(F)cc2)CC1 1749010312 PLEOEKGFPMOGME-FQEVSTJZSA-N 466.561 2.312 30 10 JEEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1749024568 VILJAMMBXGJESN-UHFFFAOYSA-N 492.565 2.040 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCNC(=O)CC1 1749119317 PZYRYBCBXXYJRM-XLIONFOSSA-N 472.977 2.169 30 10 JEEE C=C(C)Cn1c(-c2ccccn2)nnc1N1C[C@@H]2[C@H](C1)[C@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1749186322 GVRCUGOMWFOKDI-KBAYOESNSA-N 474.587 2.043 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(O)CCC[C@@H]1C 1749554175 PZFDJIYFVHXSLC-JLMWRMLUSA-N 495.671 2.416 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCN2CCN(C(C)=O)CC2)C1 1749693295 HWZNUGDPXWZCIS-QHCPKHFHSA-N 495.628 2.093 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCS[C@@H](C(C)C)C1 1749721658 QHMFNEAWSRWBTR-MRXNPFEDSA-N 464.617 2.104 30 10 JEEE CC1(C)CCC[C@@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(OCC(N)=O)CC1 1751286941 HGKGGGZWTLQLSN-XMMPIXPASA-N 452.559 2.229 30 10 JEEE C#CCN(c1nnc(-c2ccc(Br)cc2)n1C[C@@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1760183064 LRLPYVXCNLUGRA-CRAIPNDOSA-N 480.432 2.284 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H](c1ccsc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1760190546 RWFYCGKBQQWVIG-SFTDATJTSA-N 484.651 2.255 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@@H]1CCOC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1760191066 ADLJOKFOCBUULD-PCCBWWKXSA-N 472.611 2.465 30 10 JEEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@H]1CCCN1CC 1760206724 JQKFOZWDRGUHCG-VWLOTQADSA-N 459.642 2.200 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1 1760209812 IBBHOGSBEVZQHT-AQNXPRMDSA-N 462.664 2.108 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2CCCO[C@@H]2C(C)C)CC1 1760273566 YHZQRNLHFCPCJB-GPJHCHHRSA-N 487.645 2.419 30 10 JEEE C#CCSCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(C)C(=O)[C@H]1C 1760281235 PGIBOZJAZMIWQQ-QZTJIDSGSA-N 476.647 2.426 30 10 JEEE C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)C[C@@H](C)C1 1760306457 HOYJFTMUYSWJBM-GUTXKFCHSA-N 462.414 2.002 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1760319164 LAUURXYUIPXTJZ-SFTDATJTSA-N 470.599 2.270 30 10 JEEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)c2ccco2)CC1 1760359314 FKJLYZXJFCXBSF-UHFFFAOYSA-N 453.547 2.288 30 10 JEEE CC(C)CCOC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1761089262 HBMSSODHEAKBRC-DEOSSOPVSA-N 487.626 2.398 30 10 JEEE CC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)C(=O)NC)CCN1CCOC 1763490337 GOFDASHXRUQXSM-HXUWFJFHSA-N 453.591 2.136 30 10 JEEE CCOCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1767728895 FFNYDYFKPYOVAY-PXNSSMCTSA-N 490.630 2.401 30 10 JEEE C=CCN(CC=C)C(=O)[C@@H]1CSCN1C(=O)[C@H]1CC(=O)N(CCc2ccc(OC)c(OC)c2)C1 1862162603 QTZZWASUXQEREW-PMACEKPBSA-N 487.622 2.197 30 10 JEEE Cc1ccc([C@H](C#N)NC(=O)CNC(=O)c2ccc3c(c2)C(=O)N(Cc2ccccn2)C3=O)cc1 1867466067 AGFIHILXIVQRFB-QFIPXVFZSA-N 467.485 2.297 30 10 JEEE CCCC[C@@H](NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(=O)N1CCN(C(C)=O)CC1 1868795219 JUTAGXSSEUJNPY-NHCUHLMSSA-N 473.643 2.390 30 10 JEEE COc1cc(C(=O)NCC(=O)Nc2c(C#N)nnn2-c2cc(Cl)ccc2C)cc(OC)c1OC 1870140117 AFHZERHULGRNKU-UHFFFAOYSA-N 484.900 2.495 30 10 JEEE COc1ccc(CCN2C[C@H](C(=O)Nc3c(C#N)nnn3-c3ccccc3C)CC2=O)cc1OC 1870150082 YAOCKMFBAHOCMC-GOSISDBHSA-N 474.521 2.494 30 10 JEEE C=CCn1cc(OCC(=O)OCCOc2ccccc2)c(=O)cc1CN1CCN(C(=O)OCC)CC1 1870328665 JUGLBDSQDCLALL-UHFFFAOYSA-N 499.564 2.309 30 10 JEEE C=CCn1cc(OCC(=O)NC(C)C)c(=O)cc1CNc1ccc(N2CCN(C)CC2)cc1 1870944520 JNWCPVUITXJTBY-UHFFFAOYSA-N 453.587 2.302 30 10 JEEE O=C1C[C@@H](c2nnc(S)n2/N=C/c2cc([N+](=O)[O-])c(O)cc2O)CN1Cc1ccccc1 1874569503 AAPYZBYIIVPCMR-SCDDIDHTSA-N 454.468 2.285 30 10 JEEE CC(C)N1C(=O)CS[C@H](C(=O)N2CCN(c3ccc(N(C)C)nn3)CC2)[C@H]1c1ccc(C#N)cc1 1889627017 HOQOOZPZOBIDFI-RPWUZVMVSA-N 493.637 2.157 30 10 JEEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)CCc3ccc4c(c3)OCO4)CC2)CC1 1891023435 AVOXTLDIBGRTAR-UHFFFAOYSA-N 455.599 2.385 30 10 JEEE CN(C1CN(c2ccc3nnc(-c4cccc(F)c4)n3n2)C1)S(=O)(=O)c1ccccc1C#N 1891356631 OKNYWLMZBVXYJA-UHFFFAOYSA-N 463.498 2.311 30 10 JEEE CC(C)N1C(=O)CS[C@H](C(=O)N2CCN(c3cnsn3)CC2)[C@H]1c1ccc(C#N)cc1 1892102212 FKFJBCVBEXPVDR-UXHICEINSA-N 456.597 2.152 30 10 JEEE CCCCn1c(=O)nc(O)c2c1nc(COC(=O)C=Cc1ccc(OCC#N)c(OC)c1)n2C 2042447714 RMHLKFNXNNAGJY-UHFFFAOYSA-N 467.482 2.303 30 10 JEEE CC(C)(C)OC(=O)N1CC(O)(C(F)(F)C(=O)N2C[C@@H]3C(B4OC(C)(C)C(C)(C)O4)[C@H]3C2)C1 2124538505 KNJFDJJLHCXMHI-STQMWFEESA-N 458.311 2.154 30 10 JEEE CN(CCNC(=O)OC(C)(C)C)S(=O)(=O)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2255933310 NFQPUHLFITVNOK-UHFFFAOYSA-N 454.398 2.272 30 10 JEEE Cn1cc(C(=O)N2CC3(CC(NC(=O)OCc4ccccc4)C3)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2267126592 BRWYMHWWASGBSP-UHFFFAOYSA-N 480.374 2.250 30 10 JEEE CC(C)(C)OC(=O)NCC[C@H]1CN(C(=O)c2occc2B2OC(C)(C)C(C)(C)O2)CCO1 2267488000 FWKPIJNOZPKNPM-HNNXBMFYSA-N 450.341 2.335 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H](CNC(=O)OCc2ccccc2)C(F)(F)F)n1 2267504233 PLDJZNUVFARTED-MRXNPFEDSA-N 496.295 2.306 30 10 JEEE C[C@H]1CN(S(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CCN1Cc1ccccc1 2267703528 XPWQTEVECKYNFS-SFHVURJKSA-N 457.405 2.276 30 10 JEEE C[C@@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)(C)O)c1nscc1B1OC(C)(C)C(C)(C)O1 2268716140 MHNZLDBZNDNEAF-DOMZBBRYSA-N 469.413 2.284 30 10 JEEE C[C@@H](NC(=O)C1(O)CC(NC(=O)OC(C)(C)C)C1)c1nscc1B1OC(C)(C)C(C)(C)O1 2268786415 OTGXSINKIDJDKY-UGQOVCNZSA-N 467.397 2.038 30 10 JEEE COC1(CNC(=O)c2c(F)cccc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2281757007 BUEJKWZLPCAAGH-UHFFFAOYSA-N 464.343 2.491 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)C2CC(B3OC(C)(C)C(C)(C)O3)C2)[C@H]2CS(=O)(=O)C[C@@H]21 2281928007 IAFQZFULIWJURN-GQGLESIBSA-N 484.424 2.104 30 10 JEEE C[C@@H](NC(=O)c1ccc(F)cc1B1OC(C)(C)C(C)(C)O1)C1(O)CN(C(=O)OC(C)(C)C)C1 2282399781 SKGFLHYLAAKCNG-CQSZACIVSA-N 464.343 2.225 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC23CCC3)n1 2282530011 OEEKNIQYELRBTD-MRXNPFEDSA-N 460.384 2.239 30 10 JEEE Cn1cc(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 2282544035 RCPACQYDCUVLIP-DJIMGWMZSA-N 460.384 2.237 30 10 JEEE C[C@@H]1CCN(C(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)[C@@H](CNC(=O)OC(C)(C)C)C1 2282569317 PQDWTZXTBBRFNK-HZPDHXFCSA-N 462.400 2.485 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1S(=O)(=O)N(C)C[C@@H](O)COCc1ccccc1 2282839230 AUAGSVUXBIGNQB-OAQYLSRUSA-N 475.416 2.492 30 10 JEEE C[C@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2O)CC[C@@H]1NC(=O)C(F)(F)F 2282971948 JKXGJDDNACVPLS-WFASDCNBSA-N 456.270 2.221 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)sc1CNC(=O)[C@@H](F)C1(O)CN(C(=O)OC(C)(C)C)C1 2284061185 BMWBOCPRNUUCID-MRXNPFEDSA-N 484.399 2.292 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@@]1(C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2284118429 KJUCGWYFOFRCDH-QFIPXVFZSA-N 465.331 2.484 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2285182477 KGEYYWMDXQCNSQ-WMZOPIPTSA-N 464.343 2.111 30 10 JEEE COc1ccc(C(=O)N2CCC(NC(=O)C(F)(F)F)CC2)c(B2OC(C)(C)C(C)(C)O2)c1 2286118536 ZFVSEZIXXVCMQF-UHFFFAOYSA-N 456.270 2.278 30 10 JEEE COc1ccc(F)cc1C(O)=C1C(=O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1ccncc1 2296612508 WJRYOABEYJFJJB-OAQYLSRUSA-N 455.486 2.373 30 10 JEEE COc1cccc(C=Nn2c(SCC(N)=O)nnc2[C@@H]2CC(=O)N(Cc3ccccc3)C2)c1 2325917931 BYYIFNJEIUMVEZ-GOSISDBHSA-N 464.551 2.262 30 10 JEEE COc1ccc(Cc2nnc(SCC(N)=O)n2N=Cc2ccccc2C(=O)O)cc1OC 2326736280 LQIOYXYMKYMHSQ-UHFFFAOYSA-N 455.496 2.044 30 10 JEEE COc1ccc(OC)c(C=Nn2c(Cc3ccccc3[N+](=O)[O-])nnc2SCC(N)=O)c1 2328468714 UEBNTXRNLFQJNE-UHFFFAOYSA-N 456.484 2.254 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)CCCO1 2337402019 RSWWWDHPWHQKQO-AWEZNQCLSA-N 467.397 2.198 30 10 JEEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)Nc1cc(F)c(B2OC(C)(C)C(C)(C)O2)c(F)c1 2341210813 OCFUNQMIYWEZPE-BDJLRTHQSA-N 456.295 2.477 30 10 JEEE CC(=O)Nc1cccc(NC(=O)CCSc2n[nH]c(N/N=C/c3c(C)nn(CCO)c3C)n2)c1 59888104 GGPYVALRHKLIMX-WSDLNYQXSA-N 485.574 2.136 30 10 JEEE O=C(C[C@H]1CSc2nc3c(c(=O)n21)CCC3)NCC#Cc1ccc(N2CCCCC2=O)cc1 96349208 WGXWGSYOXJHFGH-IBGZPJMESA-N 462.575 2.454 30 10 JEEE COc1cc(/C=N/NS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc([N+](=O)[O-])c1OC(C)C 169907739 OMHAETSDQSDGEY-DJKKODMXSA-N 450.429 2.138 30 10 JEEE N#Cc1ccccc1[C@@H]1N[C@](CC(=O)O)(C(=O)O)[C@@H]2C(=O)N(Cc3cccc4ccccc34)C(=O)[C@@H]12 247664315 VKESMFWZROAEQM-GGLGADRISA-N 483.480 2.455 30 10 JEEE COCc1nnc(NC(=O)C[S@@](=O)CC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)s1 586299309 LJDKHPNJUICCFG-ZJPIPACBSA-N 467.598 2.068 30 10 JEEE C[C@H]1CCc2c(sc(NC(=O)C[S@](=O)CC(=O)Nc3ccccc3C(N)=O)c2C#N)C1 586341557 BSLAKCZBJCJFSM-ZDUYTPDQSA-N 458.565 2.169 30 10 JEEE COc1ccc(NC(=O)C(=O)NCc2ccc(C#N)cc2F)cc1S(=O)(=O)N1CCCCC1 609256953 NPKNEDPMNXOLQL-UHFFFAOYSA-N 474.514 2.135 30 10 JEEE C#C[C@H](NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)C(C)(C)C 1129738995 OOOKTMSOLYIKJJ-SFHVURJKSA-N 453.992 2.117 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2c(F)cccc2SC)CC1 1286485590 QWLFHHPTSXTWFD-UHFFFAOYSA-N 472.590 2.291 30 10 JEEE C#CCSCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCN(C)C(=O)C1 1286501101 MJUBCXVUGBKITO-UHFFFAOYSA-N 464.389 2.361 30 10 JEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1286503963 HCNYBDPBEDMEKI-SJORKVTESA-N 462.620 2.289 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)CCS(C)(=O)=O 1286550130 ZITLGYCFXSIVMX-IEBWSBKVSA-N 496.033 2.324 30 10 JEEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1286692379 DWIUKAVRAJZWTL-IBGZPJMESA-N 487.630 2.202 30 10 JEEE C=CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCCN(S(C)(=O)=O)CC1 1286694534 FFVAWWCZKVFNLR-UHFFFAOYSA-N 471.425 2.484 30 10 JEEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 1286705686 CNBSRBGNXSIKJF-QGZVFWFLSA-N 459.551 2.191 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1286779850 LBGPMPOXMOBYEG-GGAORHGYSA-N 493.656 2.255 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@H](N2CCCC2=O)C1 1286783253 IGGTZNLDAFYKRF-HNNXBMFYSA-N 491.365 2.350 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCN(c2cccc(OC)c2)CC1 1286821164 CEWUSJRWAOFWRI-UHFFFAOYSA-N 482.610 2.200 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1286823150 KZPMEZRWCZJWRL-QIDMFYOTSA-N 460.600 2.364 30 10 JEEE C[C@H](C#N)CN(C)c1nnc(COc2ccc(Br)cc2)n1C[C@]1(O)CCN(C)C1 1286969311 FTLLNPUVPARKCH-QRWLVFNGSA-N 463.380 2.282 30 10 JEEE C=CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(OC)c(-n3nnnc3C3CC3)c2)c1 1294742429 SPUSQSWRBVGXTC-UHFFFAOYSA-N 454.512 2.265 30 10 JEEE CNC(=O)[C@@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[S@](=O)C(C)(C)C)C1 1299031957 CNAYMKCKGCFJQM-WYOOIXGGSA-N 472.615 2.238 30 10 JEEE COc1cc(OC)cc(-c2nnc(N3CCC(C#N)CC3)n2CCS(=O)(=O)NC(C)C)c1 1299935570 FNHPHMNIUZQZGD-UHFFFAOYSA-N 462.576 2.030 30 10 JEEE C#CCN(c1nnc(-c2c[nH]c3ccccc23)n1C[C@@](C)(O)C(C)C)[C@H]1CCS(=O)(=O)C1 1300491859 JHXPAMJATRUPNR-GAJHUEQPSA-N 455.584 2.460 30 10 JEEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCN1C[C@H](C)O[C@H](C)C1 1300618511 HKUABRYRYSYJLX-KDURUIRLSA-N 473.647 2.197 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCN(C2CC2)C1 1300642600 LKTQLCURMRBEHC-HKUYNNGSSA-N 474.606 2.152 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2cn(CCCC)nc2C)CC1 1300688199 CIDZZAYMUFFFQO-UHFFFAOYSA-N 495.653 2.457 30 10 JEEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 1300763851 XUYZLYYOXSLPFF-VXKWHMMOSA-N 455.628 2.394 30 10 JEEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccccc2F)CC1 1301187923 DZKSKPYIDYZTDN-OAQYLSRUSA-N 492.621 2.433 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCOC[C@H]1C 1301411287 XFCFQHWKPYGGAP-DYXWJJEUSA-N 493.630 2.112 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1301482449 WHZFSICNBOBLSU-RBUKOAKNSA-N 451.531 2.392 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1301490164 LVTVVTSAJIVPPY-ZDUSSCGKSA-N 450.902 2.317 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1301515689 XVJRQTSGVLQPKN-UHFFFAOYSA-N 472.553 2.061 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1C[C@@H](C)CC[C@H]1C 1301579438 RTFVPAIHRGGEAI-DLBZAZTESA-N 480.660 2.464 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@H](C(F)F)C1 1301585225 ISRXWDZYVYADTD-HNNXBMFYSA-N 492.552 2.274 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCN(c3nccc(C(C)C)n3)CC2)nnc1C(C)(C)C 1301596149 IZYXGEGDYYBWGH-UHFFFAOYSA-N 461.636 2.416 30 10 JEEE CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C[C@@H](C)C#N)N1CCc2ccccc2C1 1305804501 HRLSQCRNSJVJNT-BBTUJRGHSA-N 473.647 2.321 30 10 JEEE CCS(=O)(=O)NCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CC[C@@](F)(C#N)C1 1314553918 DVZCMYQXBXWQDW-JOCHJYFZSA-N 488.545 2.498 30 10 JEEE CS(=O)(=O)[C@@H]1CCCCN(c2nnc(COc3ccc(C#N)cc3)n2CCC2(O)CCC2)C1 1316335142 AAPNFCGTPMWVLN-HXUWFJFHSA-N 473.599 2.437 30 10 JEEE CCOC(=O)c1c(NC(=O)[C@@H]2CCCN(C(=O)c3ccncc3)C2)c(C#N)cn1CCOC 1354104553 GQUUBBWANNDYBG-QGZVFWFLSA-N 453.499 2.069 30 10 JEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2ccc(OC)cc2OCCOC)c1 1357766689 GKYAFEAHHIESPF-UHFFFAOYSA-N 452.507 2.207 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1CC1(O)CCS(=O)(=O)CC1 1358896469 DYFOXFREDSNVRD-OAHLLOKOSA-N 497.415 2.017 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@]2(O)CCSC2)c1 1358901140 ALSZRWUIWGXBJZ-LOSJGSFVSA-N 499.637 2.243 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2CC(=O)NC2CCCCC2)c1 1358902664 VYHNVRZKSIHVIO-UHFFFAOYSA-N 472.553 2.240 30 10 JEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1C[C@@H]1CC(F)(F)CO1)[C@@H]1CCS(=O)(=O)C1 1358966836 XSICYSUEPGQOTD-QUCCMNQESA-N 494.564 2.123 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(F)cc2Br)n1CC(=O)NCC(F)F 1358973917 KHIFHFGELHRNPE-UHFFFAOYSA-N 454.250 2.301 30 10 JEEE C#CCN(CC#CC)c1nnc(Cc2cccnc2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1358995873 JFIIAJDUYKZSMS-NRFANRHFSA-N 455.570 2.228 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2CCNC(=O)c2ccco2)CC1 1359043165 JPZBSDOMPNCMDZ-UHFFFAOYSA-N 460.538 2.242 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2COc3ccccc3O2)nnc1N(C)CCS(C)(=O)=O 1359099126 KFUGKXZCCVOKAL-VDGAXYAQSA-N 462.572 2.253 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[C@@H](N2CCOCC2)C(F)(F)F)CC1 1359178366 PMEVAGOHXJOYQS-DLBZAZTESA-N 456.513 2.285 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CCCCS1(=O)=O 1359257071 YHEAFJDCAMZEKG-VQTJNVASSA-N 468.583 2.261 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1359293383 OMLWJLRWXQMIJF-RTBURBONSA-N 483.548 2.270 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1359303986 HNBHVMNLPQAGAC-DVECYGJZSA-N 455.559 2.160 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(Br)c3)n2CCS(=O)(=O)NC)C1 1359312736 ADPWQFPTSYHKGE-INIZCTEOSA-N 470.393 2.038 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N(C)CCc1ccccc1F 1359330836 FALUALMJDFDIGK-UHFFFAOYSA-N 475.546 2.425 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC[C@H](C)C1 1359335062 YYUZHYKIYZGLMC-QFIPXVFZSA-N 486.686 2.480 30 10 JEEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCOc2ccc(Cl)cn2)C1 1360784541 HAGQJOGMMASQNH-MGPUTAFESA-N 464.979 2.438 30 10 JEEE CC[C@H](C)N(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1496187307 FTGLWSXGGNUHEP-NZQKXSOJSA-N 495.628 2.287 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC[C@H](C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1507623125 OVLDEJUAFXNMJM-AZUAARDMSA-N 457.600 2.237 30 10 JEEE C#CCN(c1nnc(C)n1C[C@@H](c1ccccc1OC)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1507625984 MDZOPYYHUJUHCR-CTNGQTDRSA-N 457.600 2.059 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccc(Cl)cc1F)[C@@H]1CCS(=O)(=O)C1 1507632224 JYQRXXLPQBIUJB-NVXWUHKLSA-N 452.939 2.250 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@@H](C)N2CCC[C@@H](C)C2)CC1 1507740638 WDPJWOLNQHDOQH-NHCUHLMSSA-N 463.630 2.350 30 10 JEEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1507782360 BZZJDMDQPUUXCA-UHFFFAOYSA-N 471.363 2.013 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1507800506 VYVCPKPTPAXIKR-GGPKGHCWSA-N 467.636 2.014 30 10 JEEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1507965953 SRJLTXZOMZYMOV-HYBUGGRVSA-N 498.676 2.111 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(N2CCCNC2=O)CC1 1508075051 VMTIMHAAAACGKA-UHFFFAOYSA-N 457.966 2.285 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1508097657 JIKLUZBMPBNFFL-KCZVDYSFSA-N 485.633 2.218 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1508126360 HQYNBVXMTMHSTC-FXAWDEMLSA-N 462.572 2.082 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1 1508139460 AALFLVBEMGNPLY-DLBZAZTESA-N 464.592 2.273 30 10 JEEE C=CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1508168722 YLUOTGSONQDBTF-UHFFFAOYSA-N 497.625 2.222 30 10 JEEE CC(C)c1nc(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@@H](C)C#N)cs1 1508423249 FWPVOSMUCSWYEN-RDJZCZTQSA-N 481.648 2.029 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCCN(c3ccccc3C#N)CC2)n1Cc1ccc(F)cn1 1510206496 DGVDJNHVQKOUME-KRWDZBQOSA-N 498.588 2.059 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1CCc1ccncc1)[C@H]1CCS(=O)(=O)C1 1539211466 MFTCYOBKAPGDII-IBGZPJMESA-N 451.552 2.218 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@](C)(O)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 1539225804 PWQQVUZQPZXKLN-URXFXBBRSA-N 471.627 2.222 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCS(=O)(=O)CC)CC1 1539436492 UOHMEAMEQRNNRS-UHFFFAOYSA-N 456.399 2.442 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)CC(=O)N1CCOCC1 1539620939 ONLLIOYGTZNMDU-BEFAXECRSA-N 493.406 2.312 30 10 JEEE C=C(Cl)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(N(C)C(C)=O)CC1 1539793431 DOZUCPPSGXNLSQ-UHFFFAOYSA-N 455.950 2.392 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1540899124 DUWOTYHLUOREHU-HSZRJFAPSA-N 486.686 2.325 30 10 JEEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)CN2CCCC2)C1 1547779401 CCAZCHXGWDPCKS-GHTZIAJQSA-N 471.631 2.067 30 10 JEEE COc1ccccc1Cc1nnc(N2CCO[C@@H](C#N)C2)n1CCN(C)C(=O)OC(C)(C)C 1555077895 GMSKYMKCGRUWPO-SFHVURJKSA-N 456.547 2.473 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(Cc2cccnc2)n1C[C@@]1(O)CCO[C@H]1C 1555545404 DLLXBFQQXDWUJS-DFBJGRDBSA-N 462.554 2.328 30 10 JEEE CN(C)C(=O)c1ccc(OC2CCN(S(=O)(=O)c3c(F)cc(C#N)cc3F)CC2)nc1 1561900662 BMDSXMLUCZZIJR-UHFFFAOYSA-N 450.467 2.165 30 10 JEEE C#CC[C@@H](COC)NC(=O)c1cccc(NC(=O)C[C@H]2SC(N3CCCCC3)=NC2=O)c1 1586385352 DRIKRBYRWMSXLI-RBUKOAKNSA-N 456.568 2.267 30 10 JEEE C#CCCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1587835666 XIFQZXQLNFXXQS-LJQANCHMSA-N 456.568 2.393 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCSc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1588030591 XXSHLJJKSPGJBB-GOSISDBHSA-N 475.640 2.144 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1CCCN1C[C@@H](C)C[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1588045078 GRDVZHBHCYAOLZ-QHAWAJNXSA-N 470.643 2.335 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCc1scnc1C)[C@H]1CCS(=O)(=O)C1 1588045550 MNADPAQSQMEWAM-IBGZPJMESA-N 466.592 2.451 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CCN1CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1588069007 FCZBWPAVXCKESR-LEWJYISDSA-N 471.627 2.277 30 10 JEEE C#CCN(c1nnc(CSc2ccccc2OC)n1C[C@@](C)(O)C1CC1)[C@H]1CCS(=O)(=O)C1 1588074964 UXYIBBSIZKLKFS-FDDCHVKYSA-N 490.651 2.367 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H](CC)OC)CC1 1588892127 XTGLSZZNEAEWAS-MRXNPFEDSA-N 463.380 2.427 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC(=O)NC(C)(C)C)CC1 1588898773 BKVIGQBBJRHJRG-UHFFFAOYSA-N 481.557 2.124 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccc(C)cc2)nnc1N1CCN(C(=O)COC)CC1 1589568483 JYMAZHBQSYZRLP-HYBUGGRVSA-N 469.586 2.442 30 10 JEEE C=C(C)CN(CC)c1nnc(Cc2cn3ccccc3n2)n1CCN/C(O)=C1/N=CC=CC1=O 1589675517 DXJUQOXSPCVFGQ-FCQUAONHSA-N 460.542 2.445 30 10 JEEE C=CCCOCCn1c(-c2nnc(O)c3ccccc23)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1594807444 OXAVKCYQNSZQRB-MRXNPFEDSA-N 472.571 2.200 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1595475120 ADMYZSQCJMOBTA-APWZRJJASA-N 453.522 2.036 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1595778368 YNDQEUKIMMJNKG-UHFFFAOYSA-N 493.593 2.148 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(COc2ccccc2)CC1 1595788552 CJUFZRDGZQKDTP-HXUWFJFHSA-N 473.599 2.125 30 10 JEEE CO[C@H](C)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1618946795 GXFDCPKRWNTGJN-DLBZAZTESA-N 466.521 2.408 30 10 JEEE CO[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1)C(C)C 1618976691 GVOGIKLLXLRVIQ-ICSRJNTNSA-N 460.604 2.253 30 10 JEEE COc1ccc(CCn2c(Cc3cccnc3)nnc2N2CCO[C@H](C#N)C2)c(OC)c1OC 1619252253 DUFVWKPZLHRGDT-LJQANCHMSA-N 464.526 2.261 30 10 JEEE N#Cc1c[nH]nc1NC(=O)c1cccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c1 1643356552 HSDKGOXUSIGTSH-UHFFFAOYSA-N 450.524 2.040 30 10 JEEE CC(C)(C)OC(=O)N1CCN(CCNC(=O)Nc2ccc(Br)c(C#N)n2)CC1 1679661200 GBDXRLRWINVPHP-UHFFFAOYSA-N 453.341 2.390 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(F)cc2Br)n1CCN1CCCS1(=O)=O 1689840249 WEOUVYVABPHXRZ-CYBMUJFWSA-N 470.368 2.340 30 10 JEEE C#CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(C(=O)C(C)C)CC1 1689885816 WSHNKPVAOSGHDD-UHFFFAOYSA-N 471.631 2.346 30 10 JEEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(N2CCOCC2)c(F)c1 1689947911 OJRAWNCCHJLJCW-DEOSSOPVSA-N 457.550 2.412 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1CCCS(=O)(=O)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1689980616 VHYFETZZMJNCPZ-FQEVSTJZSA-N 492.667 2.207 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1ccc(OC)nc1 1690043987 VLNDHQGDXURWSN-UHFFFAOYSA-N 453.506 2.107 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2C[C@H](OC)C(C)C)CC1 1690140293 UBYQLYGAZOWELH-NRFANRHFSA-N 453.543 2.311 30 10 JEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](F)[C@@H](c2ccccc2)C1 1690154958 BNQYSVBGARIBOQ-CGTJXYLNSA-N 451.593 2.197 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)NCCC 1690206688 XJHFRFKWYYRMCV-UZUQRXQVSA-N 460.579 2.105 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1cnn(C)c1 1690432633 HZXAVFAYKCBOTD-OALUTQOASA-N 477.635 2.288 30 10 JEEE C=CC[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](C(=O)NC)C1)c1ccccc1 1690442457 TUQFIBWAVXNZNP-UXHICEINSA-N 475.553 2.237 30 10 JEEE C=CCNC(=O)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1690674208 SOTJUPYWCMVLTJ-UHFFFAOYSA-N 478.601 2.283 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(C)n3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)C1 1690696437 BYPFBMGYXADJKA-IFMALSPDSA-N 467.618 2.373 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCc2c(ccnc2O)C1 1690717981 XFPOEPBLOUFGPD-UHFFFAOYSA-N 493.387 2.300 30 10 JEEE CC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCN2S(C)(=O)=O)C[C@H](C)O1 1694930808 DZTYPNVMGFFPKT-DBVUQKKJSA-N 458.588 2.244 30 10 JEEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN(C)[C@@H](C)CC)C1 1695945215 CXUJAZGTTFSTJQ-FXAWDEMLSA-N 459.620 2.065 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2Cc2snnc2C)c1 1705506774 IFOPSEUGHASTOE-KRWDZBQOSA-N 451.556 2.437 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2CC2CCS(=O)(=O)CC2)c1 1705508129 PVGXYBGJYTUTQR-UHFFFAOYSA-N 492.605 2.145 30 10 JEEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1705531266 DHQWAAHWAYRDKN-SFHVURJKSA-N 471.631 2.393 30 10 JEEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N1CCC(CC(=O)N2CCN(CC)CC2)CC1 1705533521 YGOZYBQGCWEUJW-JOCHJYFZSA-N 456.635 2.356 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1OCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1705563129 RCGSWRIMMNFYIB-PMACEKPBSA-N 453.568 2.259 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)(C)C)n2CCN2CCN(C)C(C)(C)C2)n1 1705631262 YOUAQFQTDAEANJ-UHFFFAOYSA-N 470.666 2.084 30 10 JEEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 1705660617 ZVOPQQDSMYUZNU-FQEVSTJZSA-N 489.667 2.440 30 10 JEEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1705664385 NLFPXPPDZSGEIU-UHFFFAOYSA-N 458.636 2.136 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1705668942 XLMIPVNKCFXLNE-HVETUWLQSA-N 462.547 2.099 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)nnc1[C@@]1(OCC)CCOC1 1705708274 AJESCYIRCBMJPK-FHRFECMSSA-N 470.636 2.169 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2CCCO2)n1CC(=O)N1CCN(c2ccccc2)CC1 1705886148 WDIUGLZDANGUFL-OAQYLSRUSA-N 454.575 2.117 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(c2nccnc2C)CC1 1705898106 BABBRSPSTXCZID-UHFFFAOYSA-N 470.940 2.465 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCCN(c2nccc(OCC)n2)CC1 1705905178 MRMXFRSBWFEUDC-UHFFFAOYSA-N 490.612 2.385 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1705908985 ZEVKONKXDKCICO-GOSISDBHSA-N 463.629 2.194 30 10 JEEE CCCNC(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@@](C)(C#N)C1 1709833230 HCFMYJLNBLOWCS-DEOSSOPVSA-N 465.606 2.498 30 10 JEEE COCC(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCO[C@@H](C)C2)CC1 1712113671 CJAVZCGIHCEUKJ-AZUAARDMSA-N 482.585 2.275 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCCN2CCCCC2=O)CC1 1722436011 VIHPKFCHQYDCMH-UHFFFAOYSA-N 466.586 2.120 30 10 JEEE C#CCN1CCN(c2nnc(CSc3ccccc3OC)n2CCN2CCOC[C@@H]2C)CC1 1722440539 BAIYHKWFXBWESI-FQEVSTJZSA-N 470.643 2.055 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2c(C)noc2C)CC1 1722441737 TYYUSIOMRHISPV-KDURUIRLSA-N 469.590 2.457 30 10 JEEE C=C(Br)Cn1c(Cc2cccnc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1722488151 BAZFSEFHEBPFFD-SFHVURJKSA-N 452.378 2.188 30 10 JEEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccc(F)cc2C1 1722553900 AWXXTWCWDUEXNL-QGZVFWFLSA-N 455.943 2.065 30 10 JEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](O)(c2ccc(C)cc2)C1 1722603974 RFKVVAXVJLNEGN-XUZZJYLKSA-N 489.642 2.374 30 10 JEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1722618656 UJJGNKJFVFFOEV-LAUBAEHRSA-N 455.625 2.219 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c(-c2cnccn2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1)C(C)C 1722664481 ALQTZTARUFZDMC-XUZZJYLKSA-N 485.658 2.449 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1722695265 YGWJUEZGAUWOAX-OBWXTZQISA-N 471.558 2.037 30 10 JEEE C=CCOc1ccccc1Cn1c(-c2cccc(C)n2)nnc1N1CCN(S(C)(=O)=O)CC1 1722706906 AMXORLUVIDTGCG-UHFFFAOYSA-N 468.583 2.343 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(C)cc2N2CCOCC2)C1 1722708907 FZSDYAGZZYPVES-NRFANRHFSA-N 468.602 2.391 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC(c2ccc(O)cc2)CC1 1722724587 ANWNUTYDXSNBAR-UHFFFAOYSA-N 461.588 2.107 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](c2ccccc2Cl)C1 1722724947 JQRDAJGZWIWNAH-IBGZPJMESA-N 494.017 2.346 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCOC(C)(C)C1 1722725462 OVVHJUITNGWHGQ-UHFFFAOYSA-N 482.006 2.078 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H](OC)C(C)C)[C@H]1CCS(=O)(=O)C1 1740619167 MNDGPNDVRRLAIC-GHTZIAJQSA-N 476.599 2.260 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1cccc(C(OC)OC)c1)[C@@H]1CCS(=O)(=O)C1 1740627099 YBRKJGDCXZPLRV-JOCHJYFZSA-N 495.605 2.230 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H](C)CNC(=O)OC(C)(C)C 1740635372 NHASYJFYEYWRCB-SFHVURJKSA-N 475.557 2.154 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(OC)ccc2Br)n1CCC(=O)N(C)C 1740680870 QLRMFKJAKHZWNG-UHFFFAOYSA-N 464.364 2.281 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(Br)cc3)n2CC2([S@](C)=O)CC2)CC1 1740699478 IQEAIQCJFMNKCW-PMERELPUSA-N 492.443 2.286 30 10 JEEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2Cc2ccc(OC)nc2OC)CC1 1740699840 WAJKUHATWUKIQA-UHFFFAOYSA-N 462.554 2.381 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2coc(-c3cccs3)n2)CC1 1740700879 LZACMPFKKRUTAX-UHFFFAOYSA-N 481.582 2.147 30 10 JEEE C#CCSCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1740708899 FBOHXAXMYGKZRD-MRXNPFEDSA-N 467.592 2.005 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(CCc2ccc(OC)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1740733323 JUDFQBCIXZVYJH-GBXCKJPGSA-N 471.627 2.346 30 10 JEEE CCNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1746479484 AGNABPPIBJLUMB-BXKMTCNYSA-N 452.559 2.363 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Cl)n1C[C@H]1CCCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 1748808672 FUQLCPLKSJXGNQ-SJORKVTESA-N 497.042 2.050 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1CCN(C)CCCC)[C@H]1CCS(=O)(=O)C1 1748809397 MLGXZMIFGCAQRE-IBGZPJMESA-N 473.599 2.032 30 10 JEEE C#CCN(c1nnc(-c2ccccc2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1748809932 RBJJZZDZJWWOBB-ONTIZHBOSA-N 485.654 2.460 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2c(C)cccc2C)CC1 1749001266 OMJXSPFDFGZWQL-UHFFFAOYSA-N 462.598 2.339 30 10 JEEE C#CCSCCn1c(COc2ccccc2F)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1749047461 WVQLBEZZRPRKAM-UHFFFAOYSA-N 481.619 2.223 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1749097687 HMDNCSINRZFGLB-GJZGRUSLSA-N 453.385 2.126 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@H](c2noc(C)n2)C1 1749114642 DSYDABMPDVGJNP-NEWSRXKRSA-N 473.578 2.447 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)C1CCN(CCn2cccn2)CC1 1749116071 ZLEQNXJKBJEFGA-RBBKRZOGSA-N 484.649 2.195 30 10 JEEE C=CC[C@@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCOCC1)c1ccccc1 1749385363 QDMURDAJDFXUMB-SFTDATJTSA-N 475.615 2.198 30 10 JEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(Oc2ncccc2F)CC1 1749426746 GRXSCRQMFWWGHH-LJQANCHMSA-N 494.593 2.159 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CN2CCCC2=O)n1Cc1ccc(C(N)=O)nc1 1749536169 CHINNVMGOZOZGC-UHFFFAOYSA-N 470.537 2.007 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1nc(O)c2sccc2n1 1749659037 RUWWSXBWHUFCMK-UHFFFAOYSA-N 460.523 2.466 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(C)[C@H]1CCCN(c2ccccc2)C1 1749730605 KFHCQHDLDIADCD-NRFANRHFSA-N 469.615 2.385 30 10 JEEE CS(=O)(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC2CCOCC2)C1 1750197335 FILCNDAJSFHLHJ-FQEVSTJZSA-N 459.572 2.169 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ncnn1C(C)(C)C 1760117762 SVFDHAYZJTZFJG-SJORKVTESA-N 472.594 2.439 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)Oc1ccc(Cl)cc1 1760118096 XYHBLAGLTAOOSG-TXPKVOOTSA-N 482.006 2.190 30 10 JEEE C#CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@@H](C(=O)NC)C1 1760137237 HGCBJYQYBGNHDH-HXUWFJFHSA-N 450.591 2.218 30 10 JEEE C#CCN(c1nnc(-c2ccc3ccccc3n2)n1C[C@@H](F)COC)[C@@H]1CCS(=O)(=O)C1 1760183980 FTNMUAUMLZUKOX-QZTJIDSGSA-N 457.531 2.105 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1CCOc1cc(C)cc(C)c1)[C@H]1CCS(=O)(=O)C1 1760187330 CVYUPBSTQUMXSY-IBGZPJMESA-N 466.567 2.058 30 10 JEEE C#CCN(c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@H](F)COC)[C@@H]1CCS(=O)(=O)C1 1760188457 LCOAEJDJGXOYDA-ZWKOTPCHSA-N 473.530 2.211 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@@H](OC)C(C)C)[C@H]1CCS(=O)(=O)C1 1760189384 IINPAHQTFCLSFB-PZJWPPBQSA-N 460.600 2.175 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)c1ccc2c(c1)OCO2 1760219031 SKVOSYYZXQXCMM-SFHVURJKSA-N 468.579 2.350 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H](C)N(C)C2CC2)CC1 1760263884 SPKUZZMMCCMEIR-SLFFLAALSA-N 471.650 2.287 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CSc3ccccc3OC)n2CC(C)(C)C(=O)NC)CC1 1760273276 NKEGLVZULKDVLZ-UHFFFAOYSA-N 498.653 2.317 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCN(C(C)(C)C)CC1 1760515459 OMRMMUKMNBQHPH-UHFFFAOYSA-N 464.412 2.269 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ccc(F)c(OC)c2)CC1 1760523620 CUGSAZCHMQRLPU-IBGZPJMESA-N 458.538 2.296 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 1760525888 VNNONNMZMYCVEU-SFHVURJKSA-N 494.600 2.170 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 1760525920 WQCZXYWAZGOCSD-UHFFFAOYSA-N 494.987 2.470 30 10 JEEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N(C)C[C@@H]1CCCO[C@H]1c1ccccc1 1760527433 WWWSWVSFCMFSSV-RDPSFJRHSA-N 466.586 2.307 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN([C@H](C)c2nccs2)CC1 1760556094 UROJNLWTCUSPTJ-MRXNPFEDSA-N 450.634 2.486 30 10 JEEE CCS(=O)(=O)N(C)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cnn(C)c2C)CC1 1766694498 APGUMEQGBHREEL-UHFFFAOYSA-N 482.614 2.157 30 10 JEEE CN(C[C@H]1CCCOC1)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1767235564 GFACSVCLIBPEOF-WOJBJXKFSA-N 488.614 2.016 30 10 JEEE CO[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ccc(C#N)cn2)CC1)C(C)C 1768069737 GQYONNQHPZQHQW-IBGZPJMESA-N 475.557 2.190 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2cccn2C)n1CC1(C(N)=O)CCOCC1 1771100133 HGFILPUKXZLPJY-UHFFFAOYSA-N 477.569 2.090 30 10 JEEE COc1ccc(NC(=O)C[C@@H]2SC(=NN=Cc3ccc(OC)c(OC)c3C(=O)O)NC2=O)cc1 1772727303 JVUGAYSOMMGLBQ-INIZCTEOSA-N 486.506 2.361 30 10 JEEE O=C(/C=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 1860722246 UWVNKMVIOXLCKG-FPYGCLRLSA-N 479.898 2.490 30 10 JEEE COc1cc(-n2nnc(C#N)c2NC(=O)c2ccc3c(c2)C(=O)N(C(C)C)C3=O)cc(OC)c1OC 1870143160 ZVKPNRKVCSLJGL-UHFFFAOYSA-N 490.476 2.421 30 10 JEEE C=CCn1cc(OCC(=O)Nc2cccc(OC)c2)c(=O)cc1CN(CCOC)CCOC 1870651536 CNUWDWNPNCFUMG-UHFFFAOYSA-N 459.543 2.155 30 10 JEEE C=CCN(CC=C)c1nc(=NCc2ccc(S(N)(=O)=O)cc2)[nH]c(=Nc2ccccc2C)[nH]1 1871480469 WTEJLOIBEKYDSR-UHFFFAOYSA-N 465.583 2.205 30 10 JEEE C=CCN(CC=C)c1nc(=NCc2ccc(S(N)(=O)=O)cc2)[nH]c(=Nc2cccc(F)c2)[nH]1 1871545058 CHYYWAAXYQDVJH-UHFFFAOYSA-N 469.546 2.036 30 10 JEEE C=CCN(CC=C)c1nc(=NC[C@H](C)O)nc(Nc2ccc(C(=O)NCCN(CC)CC)cc2)[nH]1 1871704627 AAICRDQJGIODJX-IBGZPJMESA-N 482.633 2.080 30 10 JEEE COc1cc(/C=N/n2c(COc3ccccc3)nnc2SCC(N)=O)cc(OC)c1OC 1874383175 CSLQZBPRUZMLSH-FOKLQQMPSA-N 457.512 2.343 30 10 JEEE COCCc1nnc(SCC(=O)NCc2ccccc2)n1/N=C/c1ccc(OC)c(O)c1 1874474401 BLWFCYVOMQABOD-ZVHZXABRSA-N 455.540 2.472 30 10 JEEE N#C[C@@H]1CN(S(=O)(=O)c2cc(CO)ccc2Br)CCN1Cc1ccccc1 2157779627 JVHMCNHYUMJHQL-QGZVFWFLSA-N 450.358 2.340 30 10 JEEE Cc1c(B2OC(C)(C)C(C)(C)O2)csc1C(=O)NC1(CNC(=O)OC(C)(C)C)COC1 2255596416 WUYUHSNGQVIDJC-UHFFFAOYSA-N 452.382 2.379 30 10 JEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O 2255826531 QFJKUPGUZVSHEN-LSDHHAIUSA-N 452.382 2.066 30 10 JEEE C[C@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)O)c1cscc1B1OC(C)(C)C(C)(C)O1 2256617112 GXGBSNAPVAJMKK-WOSRLPQWSA-N 454.398 2.499 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(CNC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)O)s1 2256620126 FICITOZCQJKFQF-BBRMVZONSA-N 454.398 2.246 30 10 JEEE CC(C)[C@H](CCNC(=O)OC(C)(C)C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2256639798 KYJGOWORTTYWRC-ZDUSSCGKSA-N 454.402 2.385 30 10 JEEE CS[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2267272129 XJUDWLUYALIMKZ-JKSUJKDBSA-N 463.409 2.462 30 10 JEEE CC(C)(C)OC(=O)N[C@](C)(CO)CNC(=O)c1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2267452517 GVMKZYDGDVTIGT-QFIPXVFZSA-N 452.332 2.130 30 10 JEEE CC1(C)OB(c2ccc(CS(=O)(=O)N(OCc3ccccc3)C3CNC3)cc2)OC1(C)C 2267462437 CSRFKDJPTRTLCG-UHFFFAOYSA-N 458.389 2.221 30 10 JEEE CC(C)(C)OC(=O)N1CC(CCO)(CNC(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2267584729 LABQOEUMAZVCBE-UHFFFAOYSA-N 466.409 2.397 30 10 JEEE C[C@@H](NC(=O)c1c[nH][nH]c1=NC(=O)OC(C)(C)C)c1nscc1B1OC(C)(C)C(C)(C)O1 2268613449 UGBFMEZMNFJJHT-LLVKDONJSA-N 463.369 2.425 30 10 JEEE C[C@H]1OCCN(C(=O)OC(C)(C)C)[C@@H]1C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2268634688 JKTJXKUKXITBJA-HIFRSBDPSA-N 467.397 2.083 30 10 JEEE Cc1nc(NC(=O)[C@@H]2CSCCN2C(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2268636141 ZQLAZNBKCOOUKD-HNNXBMFYSA-N 464.397 2.375 30 10 JEEE COc1ccc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)O)c(B2OC(C)(C)C(C)(C)O2)c1 2268656701 ZVUOEXWJRYHDDK-GUYCJALGSA-N 450.341 2.207 30 10 JEEE CC1=C(B2OC(C)(C)C(C)(C)O2)CCN(C(=O)[C@H](F)C2(O)CN(C(=O)OC(C)(C)C)C2)C1 2268720362 UFYGZBLWGVOLJN-INIZCTEOSA-N 454.348 2.487 30 10 JEEE Cn1cc(C(=O)N[C@@H]2C[C@H]3C[C@H]2CN(C(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)n1 2281958008 CNYMYRFMMPHGPY-HLLBOEOZSA-N 460.384 2.095 30 10 JEEE Cc1c(C(=O)N2CCCN(C(=O)OC(C)(C)C)C[C@@H]2C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281980383 BDNUCNXYIJPYTO-HNNXBMFYSA-N 462.400 2.499 30 10 JEEE CN(C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1F)C1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 2282034296 GFNGLWHCJACGOA-HUUCEWRRSA-N 461.343 2.457 30 10 JEEE C[C@H]1C[C@H](NC(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CCN(C(=O)OC(C)(C)C)C1 2282034745 MFSPBLCLYSCBRA-JKSUJKDBSA-N 462.400 2.485 30 10 JEEE Cc1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O 2285953617 XKGCTJCIKIXUBE-ZWKOTPCHSA-N 464.343 2.143 30 10 JEEE C[C@@H]1CN(C(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)CC2(CN(C(=O)OC(C)(C)C)C2)O1 2288586900 WKBIVGSYXRHRFP-CQSZACIVSA-N 479.408 2.293 30 10 JEEE CCOc1ccc(C=Nn2c(CNC(C)=O)nnc2SCC(=O)Nc2nccs2)cc1 2330747907 JJBFYANKSZPEBE-UHFFFAOYSA-N 459.557 2.382 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(=NCc2c(I)cnn2C)[nH]1 2337019915 IWMWFNUSCSPUPA-UHFFFAOYSA-N 454.121 2.061 30 10 JEEE CC[C@@](C)(CNC(=O)OC(C)(C)C)N(C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2337204267 IXIAAUFGQCVVMA-QFIPXVFZSA-N 450.389 2.485 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)n1C 2362479974 CLFKMDYQXRAXRC-XHSDSOJGSA-N 460.384 2.013 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)n1C 2362494742 RHZMHYLTYYDRSF-QHCPKHFHSA-N 462.400 2.405 30 10 JEEE COCCn1cc(/C=N/Nc2nnc(SCC(=O)C3C4CC5CC(C4)CC3C5)n2N)cn1 59914029 ULLLOJTYVNQPNQ-NUGSKGIGSA-N 458.592 2.014 30 10 JEEE COc1ccc(F)cc1/C(O)=C1/C(=O)C(=O)N(CCCN2CCOCC2)[C@H]1c1ccncc1 102744469 WJRYOABEYJFJJB-AGGMBTAESA-N 455.486 2.373 30 10 JEEE N#Cc1nccnc1O[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(c3cccc(Br)c3)C2)C1 219935648 WZCXWKWTUDFYNI-XJKSGUPXSA-N 456.300 2.144 30 10 JEEE CC1CCC(C#N)(N(C)C(=O)[C@H](C)OC(=O)[C@H]2C[C@H](O)CN2C(=O)c2ccc(F)cc2)CC1 725950381 DIIDEKCXEISYHI-FNKGHPTESA-N 459.518 2.264 30 10 JEEE Cc1ccc(F)c(-n2c(=C(C#N)C(=O)N3CCCC3)sc(=Cc3cnn4ccccc34)c2=O)c1 729668613 BALRBVHNFAIBAY-UHFFFAOYSA-N 473.533 2.120 30 10 JEEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)CN1C(=O)N[C@](C)(c2cc(C)ccc2OC)C1=O 1140471789 PVVOISDGMMMJPO-XMMPIXPASA-N 455.511 2.461 30 10 JEEE Cn1c(=O)oc2cc(NC(=O)C3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)c(F)cc21 1275262492 GAZULIAYDXCANK-UHFFFAOYSA-N 458.471 2.182 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(N(C)C)CCOCC1 1286294722 FPFHGSCJMBANAW-MOPGFXCFSA-N 476.622 2.155 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1286298097 FMRLEIPNFDEXFA-WIYYLYMNSA-N 490.587 2.393 30 10 JEEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1286350056 TVEYBMANLJYPIY-OAQYLSRUSA-N 457.600 2.238 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCN(C)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1286388495 QBFTWWQWJMUNKD-HXUWFJFHSA-N 498.609 2.310 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1CCNC(=O)c1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1286391293 DPFUJXNCTPBMOU-FQEVSTJZSA-N 471.627 2.232 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@H]2CCOC[C@H]2OC)CC1 1286472887 WRIXHUHIQDCUGN-CNNODRBYSA-N 457.550 2.364 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1286547375 OKVRJHRZRVOBMC-ZCNNSNEGSA-N 456.595 2.447 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1286558277 MMDNDFVZZRLZBJ-YKSBVNFPSA-N 470.593 2.199 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)Oc2cccc(OC)c2)CC1 1286646610 TWGUBTFXBGZSFS-WIYYLYMNSA-N 491.614 2.244 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@H](c2ccco2)C1 1286783810 MSBKLEZBTZBPFF-FQEVSTJZSA-N 453.499 2.435 30 10 JEEE C=CCNC(=O)CNC(=O)c1cc(S(=O)(=O)N(C)c2ccc(OC)cc2)ccc1Cl 1295643134 DQIYVWVIBRBOHB-UHFFFAOYSA-N 451.932 2.206 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H](c1ccccc1)C1CC1)[C@@H]1CCS(=O)(=O)C1 1300479346 MCTDEVQGYWKVJV-RTWAWAEBSA-N 469.611 2.237 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1CCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1300489285 LKSYCWFLNCQIFA-SFHVURJKSA-N 478.018 2.330 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CCCN1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1300501310 JFDLSLPMBIEOLB-JOCHJYFZSA-N 470.643 2.013 30 10 JEEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCc2cc(OC)ccc21 1300509761 UNMGOVPFEKGKPS-HKUYNNGSSA-N 455.584 2.090 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Br)c3)n2CC(=O)N(C)CC)CC1 1300715865 GRGRBVVZIZGXEW-UHFFFAOYSA-N 487.402 2.152 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2CC[C@@](C)(CC)O2)CC1 1300731701 GVUPGXBHUJTORM-AIFLQVKLSA-N 473.618 2.316 30 10 JEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 1301458939 LAKFTCBUJMZXGV-NNWRFLSQSA-N 488.658 2.286 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCc2cccc(C(=O)NC)c2)C1 1301535857 PIGVRJNJCCWEPU-HXUWFJFHSA-N 475.553 2.309 30 10 JEEE CC(C)NS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N(C)Cc1cccc(C#N)c1 1303471082 AYRCRMJSBVGSIW-UHFFFAOYSA-N 453.572 2.100 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(OCC(F)(F)F)nc1 1303639951 HJKOLADKFCUMLO-GOEBONIOSA-N 486.520 2.497 30 10 JEEE CCCNC(=O)CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)[C@@H](C)CC#N 1313480744 DBNWLLYFVXPNOI-INIZCTEOSA-N 450.547 2.330 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)Nc3ccccn3)n2CCN2CCC[C@@H]2C)c1 1358900554 MWJCHYLYIRVBAE-IBGZPJMESA-N 486.580 2.466 30 10 JEEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1358922174 WEMDOHQWFHVNAK-AWEZNQCLSA-N 469.409 2.215 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1CC(=C)Br)[C@@H]1CCS(=O)(=O)C1 1358965041 MTTWNUMDPBOGFI-OAHLLOKOSA-N 470.418 2.169 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCN(CCC)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1358967390 JOFVXIGATRXDSJ-RBUKOAKNSA-N 495.646 2.403 30 10 JEEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC(C)(C)N1CCC(OC)CC1 1358970279 KNFWHLMBHGBGHD-RUZDIDTESA-N 457.619 2.281 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2ccc(CC)cc2)CC1 1359040375 RMSOXDQYDYUQGK-UHFFFAOYSA-N 462.598 2.285 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2cccc(C(F)(F)F)n2)CC1 1359044476 HCUZBCOTUWZZBC-INIZCTEOSA-N 462.476 2.210 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccnc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1359097283 NFXVHJAJQCKNMW-AZUAARDMSA-N 460.604 2.182 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1359098266 ZICGYQMBFLFTJM-NSHGMRRFSA-N 460.579 2.125 30 10 JEEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](CN2CCOCC2)C1 1359122262 ICIGNZLUQPJVPQ-WOJBJXKFSA-N 476.622 2.321 30 10 JEEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1359151247 PVYQIFQMKITBPM-NSHDSACASA-N 462.885 2.304 30 10 JEEE C=CCCOCCn1c(N2C[C@H](C)O[C@@]3(CCOC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1359229638 PGYGHOMSKVDQCZ-AJSBUHFISA-N 450.580 2.296 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1359297026 BTDIRIJVFXURPB-HXUWFJFHSA-N 475.347 2.041 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 1359302492 JGYPOLPWUGTIOO-HXUWFJFHSA-N 474.569 2.125 30 10 JEEE C[C@H](CC#N)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1360466553 FTZPTARRRGKRDE-WIYYLYMNSA-N 474.569 2.279 30 10 JEEE CC(C)C[C@@](C)(CNC(=O)OC(C)(C)C)NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1435241655 DSLKRLIGRPNFFA-NRFANRHFSA-N 452.577 2.171 30 10 JEEE C#CCn1ccc(CN(CC)C(=O)c2ccc(OC)c(S(=O)(=O)Cc3cc(C)no3)c2)n1 1459759423 PUBLIIZJQRMUCZ-UHFFFAOYSA-N 456.524 2.458 30 10 JEEE C=CCC[C@H](NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)OCC 1468125691 OHHQLEWAKVFXMV-ROUUACIJSA-N 453.517 2.152 30 10 JEEE CCN1CCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1502282749 DZVGSTRCXPXRTO-OAQYLSRUSA-N 471.631 2.161 30 10 JEEE CCOc1ccc(O[C@H](C)c2nnc(N(C)C[C@H](C)C#N)n2CC(=O)N2CCOCC2)cc1 1502850785 GZNNAFVTODFBHI-QZTJIDSGSA-N 456.547 2.271 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H]2CCCCO2)CC1 1507716599 RZTKXPGGVDIJQV-FQEVSTJZSA-N 456.978 2.186 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCCN2CCCCC2=O)CC1 1507721475 PHPRBDHZXQWZSS-UHFFFAOYSA-N 466.586 2.120 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1507791035 GXUSTLFYJRXZKR-PZJWPPBQSA-N 482.585 2.066 30 10 JEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nc(C(F)(F)F)cs1)C1CC1 1507992729 IDGMYZDJWVLCAR-CYBMUJFWSA-N 492.549 2.289 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC1(O)CCOCC1 1507995562 ABTNZTOAJQZGRX-HXUWFJFHSA-N 490.626 2.313 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1508132003 TVXGLBMJPUWKPY-FUHWJXTLSA-N 494.017 2.483 30 10 JEEE CN(C)[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C(N)=O)C1)c1ccsc1 1516989073 BTGUXAOUGXLOQT-XLIONFOSSA-N 465.583 2.405 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C(F)(F)F)cc1C 1539014536 MAXQMCWCGZNVRS-QAPCUYQASA-N 485.532 2.444 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccc(C)cc1)N1CCOCC1 1539016833 VSQSEMBOVZQZBV-KSEOMHKRSA-N 471.627 2.020 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@H](C)Oc1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1539212312 UPSAHWULUYWXGC-RBUKOAKNSA-N 483.594 2.386 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccnc2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1539311589 SCNLCZFJAWJQPG-UHFFFAOYSA-N 454.582 2.388 30 10 JEEE C#CCN1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CCN(C)[C@@H](C)CC)CC1 1539445737 DFKAYPIFEYUNNV-FQEVSTJZSA-N 476.629 2.160 30 10 JEEE C#CCN1CCN(c2nnc(CCN3CCN(c4ccccc4)CC3)n2CCCSC)CC1 1539453626 AZLSZABLEGXYEK-UHFFFAOYSA-N 467.687 2.151 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2CC[C@H]2CCOC2)CC1 1539482738 OZNJKXRCVUGTIR-IBGZPJMESA-N 451.571 2.270 30 10 JEEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCC(CC(=O)N2CCN(CC)CC2)CC1 1539506826 YMBHNHIMVVPVSN-UHFFFAOYSA-N 481.670 2.477 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(CCOC)C(=O)C1 1539622666 IASSPDPIDBBXNC-AUSIDOKSSA-N 485.585 2.239 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCCCO2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1539751923 XJPYAFPYHBLCBW-SFTDATJTSA-N 460.623 2.245 30 10 JEEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@]2(CCOC2)C1 1539803818 NZGILZFPCGPXPO-HRAATJIYSA-N 469.970 2.335 30 10 JEEE C=C(Cl)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1539809854 AVJHXDLJSDKXLB-QGZVFWFLSA-N 478.022 2.377 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(NC(C)=O)CC1 1540863041 OAYFFPOWPZHISX-HNNXBMFYSA-N 460.966 2.479 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccco1 1540880626 MFCSICKQEUJMKJ-NRFANRHFSA-N 487.582 2.454 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc(Cc2cn3ccccc3n2)n1CC1(S(C)(=O)=O)CCCC1 1541117193 ATPKKVKZHSQKIF-KRWDZBQOSA-N 455.588 2.470 30 10 JEEE CC(C)NC(=O)c1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1C[C@@]1(O)CCSC1 1541649267 BKADXNODKSJEBN-QHCPKHFHSA-N 452.584 2.450 30 10 JEEE C#CC[C@@H](CCOC)NC(=O)N(CC)[C@H](C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1565156387 IQGDLBUIBWTYKX-MOPGFXCFSA-N 452.596 2.304 30 10 JEEE C#CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1587769066 AWPICYYVAZDLQH-UUOWRZLLSA-N 488.589 2.421 30 10 JEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCN1CCCCCC1=O 1587988785 BHNJGZLIBJZSQW-LJQANCHMSA-N 474.606 2.449 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)N1CCOCC1 1588457981 BBRKTVRXZDMBRV-LJQANCHMSA-N 454.550 2.014 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCC[C@@H]1OC 1588647318 UMKOKBSXJRGNEJ-UFYCRDLUSA-N 477.606 2.488 30 10 JEEE C#CCSCCn1c(-c2ccc(Br)s2)nnc1N1CCN(S(C)(=O)=O)CC1 1589008378 VBDHIJCARLMZEN-UHFFFAOYSA-N 490.474 2.217 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(N(CC)CC)CC1 1589493114 FZCQJPAGIBUNRY-GGPKGHCWSA-N 468.668 2.180 30 10 JEEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2ccccc2OCC)CC1 1593806635 CTZYIGQYTPYYGY-INIZCTEOSA-N 497.021 2.002 30 10 JEEE C=CCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1594788083 GMEOTSRJDCZERR-ZWKOTPCHSA-N 462.528 2.055 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1595772959 KPJLNOCVBRHLBG-HXUWFJFHSA-N 484.626 2.406 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1595776835 GIKKBGNNIYFFHZ-UHFFFAOYSA-N 475.615 2.249 30 10 JEEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(c2ccccc2C#N)CC1 1595845791 ZXZJFBDLPAPAPY-GOSISDBHSA-N 489.671 2.396 30 10 JEEE C=CCSCCn1c(-c2cccc(C)n2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1595871036 DANSRXIMRWFYPE-UHFFFAOYSA-N 455.632 2.312 30 10 JEEE CC(=O)N1CC[C@H](CN(C)c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCOC2)C1 1596005530 FKECBHIZDHFWSH-NHCUHLMSSA-N 452.559 2.460 30 10 JEEE CC(C)[C@H](CCN(C)C(=O)CNS(=O)(=O)c1cccc(C#N)c1)NC(=O)OC(C)(C)C 1610971184 GBSSUVKVECPSJV-SFHVURJKSA-N 452.577 2.234 30 10 JEEE C[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1)Oc1ccc(Cl)cc1 1611582886 DDCTYHJFKAUXAR-RVKKMQEKSA-N 465.963 2.030 30 10 JEEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCCCC2)C[C@@H](C)O1 1619753549 CMMOHNSFJPQBNR-KNQAVFIVSA-N 454.575 2.455 30 10 JEEE C=CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(CN3CCN(C(C)=O)CC3)cc2)c1 1624058291 AFLTUVJFVUGDAX-UHFFFAOYSA-N 456.568 2.067 30 10 JEEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCCCC[C@H]2c2noc(-c3ccc(F)cc3)n2)C1=O 1632521546 IDRHCHSUWLMDHF-INIZCTEOSA-N 455.446 2.296 30 10 JEEE CC[C@@H](C#N)Oc1cc(CNC(=O)[C@@H]2CCCCN2C(=O)c2ccc(O)nn2)ccc1OC 1633486054 ACHNSFWKUFDCPS-WMZOPIPTSA-N 453.499 2.183 30 10 JEEE C#CCN(C)CCCNC(=O)N(CCN1CCOCC1)Cc1sccc1Br 1635733472 MQFBLJDJZUBIOH-UHFFFAOYSA-N 457.438 2.310 30 10 JEEE COC(=O)[C@@H](O)C1CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccc(OC)cc2)CC1 1642341155 ICFJBQCNDJUUKR-QFIPXVFZSA-N 454.527 2.159 30 10 JEEE CC(C)(C)OC(=O)[C@@H]1CCCN1S(=O)(=O)NC1CCC(Oc2ncccc2C#N)CC1 1661502577 AFEJEHZRMQIBRQ-ABHNRTSZSA-N 450.561 2.284 30 10 JEEE C#CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1689918001 NCBCRMPTOORBFN-GOSISDBHSA-N 453.547 2.303 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCOC3)n2CC(F)(F)Br)n1 1690108961 ARQRWRXHAHAIEE-AWEZNQCLSA-N 473.322 2.252 30 10 JEEE C#CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1690184452 ILYKKQDIFXGUAR-FXAWDEMLSA-N 455.584 2.289 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C)N(Cc2ccccc2)CC1 1690288173 LFALDDSCCOEUBM-RBBKRZOGSA-N 488.658 2.288 30 10 JEEE C=C(Cl)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1690351542 WQEURYJKJQCGBU-ZBFHGGJFSA-N 450.996 2.179 30 10 JEEE CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)N(C)C)CC12CCCCC2 1690841964 GHMZXLZXHHPHPU-UHFFFAOYSA-N 499.641 2.080 30 10 JEEE CCN1C[C@H](C)N(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)NC(C)C)C[C@H]1C 1695802471 AAQNNIFBLMXPNI-MSOLQXFVSA-N 459.620 2.063 30 10 JEEE CO[C@@H]1COCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(C#N)CC1 1697697745 BZERAWXBBKVROF-UYAOXDASSA-N 459.572 2.140 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCc1nc(C(F)(F)F)cs1)[C@H]1CCS(=O)(=O)C1 1705564582 CPGWETUBYOAPDE-KGLIPLIRSA-N 489.545 2.127 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1Cc1cccnc1OCC(F)(F)F 1705587786 IVKNUWBVRLOHIY-UHFFFAOYSA-N 460.460 2.361 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@](O)(c1ccccc1)C(F)(F)F 1705621105 RNYBYGAKCPYSFU-OAQYLSRUSA-N 465.476 2.050 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCN(C)C(C)C)CC1 1705643928 VPINAVFJCOSCBS-FQEVSTJZSA-N 459.639 2.446 30 10 JEEE C=C(Br)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NC(=O)COC)CC1 1705683797 DQICUKQGWFVHFZ-UHFFFAOYSA-N 459.348 2.457 30 10 JEEE C=C(C)Cn1c(CSc2ccccc2OC)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1705729610 JFBHBDMKPNADDZ-UHFFFAOYSA-N 484.626 2.426 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1CC[C@H](SCC)C1 1705754647 CJKIANPTTGLBDD-PMPSAXMXSA-N 464.057 2.474 30 10 JEEE C=CCOc1ccccc1Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H](C(N)=O)C1 1705916152 ZPVWKUGEGHUMMJ-KRWDZBQOSA-N 466.567 2.194 30 10 JEEE CC(C)(C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1706092359 HFBHSKFZTPGIQX-QGZVFWFLSA-N 491.518 2.484 30 10 JEEE COc1ccc(-c2nnc(N(C)[C@@H](C)CC#N)n2CCN2CCCS2(=O)=O)cc1Br 1711727555 AVCSVUJQBFMWSQ-AWEZNQCLSA-N 497.419 2.490 30 10 JEEE CS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(OC2CCCC2)CC1 1712711154 CAHPNALRXHARRJ-UHFFFAOYSA-N 458.588 2.294 30 10 JEEE C#CCN(c1nnc(-c2ccccc2)n1CC(F)(F)C1(OC)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1722362757 OPFGBAPVTVTAMM-LJQANCHMSA-N 494.564 2.403 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1ccccc1)C1CC1 1722414096 VNXOHMXEWVLXMW-SFTDATJTSA-N 457.600 2.264 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCCC(=O)N(CC)CC)CC1 1722438300 VHHJMDXRWUWHEV-JOCHJYFZSA-N 466.586 2.194 30 10 JEEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@H]2CCOC[C@@H]2OC)CC1 1722440284 HPJZTPYWEGNBAL-GGAORHGYSA-N 453.587 2.281 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2C[C@H](N2CCOCC2)C(F)(F)F)CC1 1722440850 FQOZFKDTBHVDBT-FQEVSTJZSA-N 496.509 2.015 30 10 JEEE C#CCSCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(CC(=O)NCC)CC1 1722454635 FQEMJIPBRBCHHT-UHFFFAOYSA-N 465.627 2.061 30 10 JEEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1722481827 LPQVZPUEBMVMAP-UHFFFAOYSA-N 470.331 2.320 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1722496789 NDQQHBIVHYEORX-IEBWSBKVSA-N 481.022 2.446 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(CCOC)[C@H](C)C1 1722507216 XGRWVNCPOIKMAM-KNKQGSTJSA-N 488.658 2.408 30 10 JEEE C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2c(CC)nn(C)c2Cl)CC1 1722518462 KRWHSDYOKKAJNM-UHFFFAOYSA-N 461.014 2.362 30 10 JEEE C=C(C)COCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1722536278 MGJQBCWTEHXDAK-HSZRJFAPSA-N 452.515 2.352 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)[C@H](C)CS(C)(=O)=O 1722694376 UGEIITMCXIGTJD-LSDHHAIUSA-N 465.645 2.303 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1722707450 PNKYGHZIHGDWHJ-FPOVZHCZSA-N 487.626 2.098 30 10 JEEE N#C[C@H]1CN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@H]2CCCN2CCCO)CCO1 1731185657 AZBDHTIBNGASFG-MJGOQNOKSA-N 462.501 2.122 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1ccc(N2CCOCC2)nc1 1740558534 WJXSQLVOCTXVHG-LJQANCHMSA-N 457.538 2.467 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCN(CC)C2)c1 1740561867 JQPABZXNXQNHFJ-FQEVSTJZSA-N 486.580 2.323 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2CCS(=O)(=O)CC2CC2)c1 1740564085 AKBRBIYONDSMMS-FQEVSTJZSA-N 485.610 2.053 30 10 JEEE C#CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H]1CCCS(=O)(=O)C1 1740610215 USGTVVLAEHYLMF-KRWDZBQOSA-N 465.620 2.287 30 10 JEEE C#CCN(c1nnc(C2CCCC2)n1CCNC(=O)Cc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1740623541 WJRHYWFSADFKTG-NRFANRHFSA-N 487.601 2.060 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@H]1CSCCS1)[C@@H]1CCS(=O)(=O)C1 1740627778 KMPHVVLHOPXOGU-MJGOQNOKSA-N 496.655 2.472 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCOc1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1740629022 YTPYEIKCKPTNDW-WIYYLYMNSA-N 474.583 2.234 30 10 JEEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1740718791 BOQOHMSGLXGFIS-UHFFFAOYSA-N 452.588 2.034 30 10 JEEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1740722726 IPROUZYIORMZGE-PQTWGXLHSA-N 450.605 2.141 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1740850283 FCSJQMGRBXKERB-LSDHHAIUSA-N 477.553 2.287 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](c2ccc(F)cc2Cl)C1 1740957694 XQYRSJBPQUFKAN-GOSISDBHSA-N 459.913 2.351 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2CCCN(C(C)=O)C2)C1 1740973787 DLAZTXVEJFUXLW-TZIWHRDSSA-N 487.626 2.388 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCN(C(C)=O)CC1 1740988933 UJTRHMOKTHYWTB-UHFFFAOYSA-N 491.614 2.010 30 10 JEEE CC(C)(C)S(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1741241210 GPQMOQCOHZIMJU-UHFFFAOYSA-N 468.587 2.080 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC[C@H]1CCO[C@@H](C)C1 1741674497 DRBAOPXBFWXPKC-OALUTQOASA-N 466.590 2.215 30 10 JEEE CC[C@@H](C)N(C)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@](F)(C#N)C1 1743857848 FIDMOGVMWJXFPJ-VGSWGCGISA-N 477.610 2.368 30 10 JEEE CCNC(=O)C(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1746484937 BRNIPSGUNKOPAO-UXHICEINSA-N 452.559 2.394 30 10 JEEE CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1747413707 DQKPAPSCEWTFHK-HXUWFJFHSA-N 452.540 2.224 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1Cc1ccc(C(N)=O)nc1 1748667829 AROYXZANBHRNSM-MRXNPFEDSA-N 467.574 2.393 30 10 JEEE COc1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(CC(N)=O)CC2)c(OC)n1 1748796664 DGWODXCGBOXNGB-UHFFFAOYSA-N 461.526 2.369 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCC(=O)N1CCCCCC1 1748842183 GBYVOPSBSHVBTJ-UHFFFAOYSA-N 471.565 2.058 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCc1cnn(C)n1 1748846564 IXVUOVCEIOYQFN-LJQANCHMSA-N 466.590 2.227 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1cc(C(F)(F)F)ccn1 1748892247 LYCDKVGZCBJEGY-MRXNPFEDSA-N 465.501 2.300 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@@H](CC)NC(=O)OC(C)(C)C)CC1 1749019122 LVJYNHHOUSIZTC-GOSISDBHSA-N 462.595 2.084 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cc(F)ccc2F)CC1 1749039025 OGMKSQXDQGDOSG-MRXNPFEDSA-N 481.594 2.151 30 10 JEEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCN(CCCOCC(F)(F)F)CC1 1749083391 GAZFZNTZZOCURP-UHFFFAOYSA-N 497.360 2.416 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC(CCC(N)=O)CC2)nnc1[C@@]1(OCC)CCOC1 1749139173 BWONEZMQTACNIQ-NHCICSSKSA-N 461.607 2.393 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1749175602 KFJLXRSCLPCBAL-FQEVSTJZSA-N 485.614 2.182 30 10 JEEE COC[C@H](Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC[C@@](C)(C#N)C1)OC 1749344072 FJILPMGLPGEKFB-OZXSUGGESA-N 481.645 2.434 30 10 JEEE C=CCCOCCn1c(Cc2ccc(F)cc2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1749457109 GAUDIFVAOMYCQD-OAQYLSRUSA-N 470.549 2.367 30 10 JEEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1cccnc1N1CCOCC1 1749471869 UZKJVAQSBXDPDG-UHFFFAOYSA-N 468.583 2.251 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1749653276 ZZIMPCABSAEKSC-QFBILLFUSA-N 489.418 2.167 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 1749666127 HRUDCPKXOUEZQG-NRSPTQNISA-N 465.602 2.021 30 10 JEEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1749676973 JSYMBJOUPIUWPY-KRWDZBQOSA-N 466.508 2.275 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCC(C)=C(Br)C2)nnc1[C@@]1(OCC)CCOC1 1749739500 DGWZSVWCZZBDLG-LJQANCHMSA-N 489.436 2.410 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCSC2)c1 1760127199 TVWBAOXARAPMDI-SFHVURJKSA-N 452.584 2.323 30 10 JEEE C#CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1760135320 RGPCVNVINNTOPA-MSOLQXFVSA-N 460.604 2.282 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1ccc(F)c(COC)c1)[C@H]1CCS(=O)(=O)C1 1760189466 PIYQEKLOXWSWTH-FQEVSTJZSA-N 469.542 2.301 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1cnn(CC)c1)[C@@H]1CCS(=O)(=O)C1 1760193462 ZVBLTFLYSSJFQK-VAMGGRTRSA-N 474.631 2.088 30 10 JEEE C#CCN(CC)c1nnc(-c2ccccc2Br)n1CCCNS(=O)(=O)CC 1760230998 RLAQKNPAOPZLRF-UHFFFAOYSA-N 454.394 2.497 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2CC[C@@H](C(F)F)N2CCOCC2)CC1 1760254963 RAKKQTWPBTUUEN-NRFANRHFSA-N 474.556 2.065 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2cccc(OCC)c2)CC1 1760262004 XVZHBODYKOPHBF-UHFFFAOYSA-N 464.595 2.472 30 10 JEEE C=C(Cl)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1760368285 WUJVTPXKODNZJS-UHFFFAOYSA-N 482.919 2.472 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ccc(OC)cc2)CC1 1760401815 CHAQIRGLZBGUEQ-NRFANRHFSA-N 475.615 2.265 30 10 JEEE C=CCC(C)(C)Cn1c(CSc2ccccc2OC)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1760415977 QIWIBNDAYCEEQV-KRWDZBQOSA-N 484.626 2.328 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCOC2)n1CC1(O)CCS(=O)(=O)CC1 1760484996 PLXJTHCQAWKOHR-IBGZPJMESA-N 478.590 2.444 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCCN(c2cc(OC)cc(OC)c2)CC1 1760520189 FJPXNXWJSSQDLK-UHFFFAOYSA-N 477.569 2.376 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1760521601 YEQSGBWLZCQWSE-INIZCTEOSA-N 465.514 2.179 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCO[C@H](C(F)(F)F)C1 1760556489 FQQQAMVWKRCZRZ-AWEZNQCLSA-N 450.508 2.299 30 10 JEEE CC(=O)N1CCCN([C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3C[C@H](C)N(C)C)C[C@H]2C)CC1 1760601436 BKIWRCDBXBSGQP-JXALWOEJSA-N 478.645 2.146 30 10 JEEE CCc1nsc(N2CCCN(c3nnc(-c4cccc(C#N)c4)n3CCC(=O)N(C)C)CC2)n1 1764985174 GHJQXLZAMDQFDV-UHFFFAOYSA-N 479.614 2.426 30 10 JEEE CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1CC1([S@@](C)=O)CCC1 1766646906 CNMKTYIFLOPANU-BEIWTESXSA-N 463.629 2.377 30 10 JEEE N#C[C@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2cc(Br)ccc2F)CCO1 1771537052 GUBZWZOCHYZRIO-HOCLYGCPSA-N 463.311 2.102 30 10 JEEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1862746904 FRBTURPGVYWSBX-NSPYISDASA-N 485.405 2.233 30 10 JEEE C=CCN(CC=C)C(=O)[C@H](Cc1ccc(OC(C)=O)cc1)NC(=O)CC[C@@H]1CCS(=O)(=O)C1 1868813083 BXIDWKYMEBOVOU-IRLDBZIGSA-N 476.595 2.055 30 10 JEEE O=C(NC[C@@H]1CCCO1)[C@H](CSCc1ccccc1)N=C1NS(=O)(=O)c2ccccc21 1869931840 JIYMYTFWAYVZOH-HKUYNNGSSA-N 459.593 2.322 30 10 JEEE CC(=O)N1CCN(Cc2cc(=O)c(OCc3ccc(C#N)cc3)cn2CCCCCO)CC1 1870350178 UABYPGDGTUXQLL-UHFFFAOYSA-N 452.555 2.126 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)COc2nonc2C(=O)Nc2cccc(OC)c2)nc1C 1872691636 JTRABISAARZYJQ-UHFFFAOYSA-N 473.467 2.456 30 10 JEEE CCc1nc([C@H](C#N)C(=O)CN2CCN(Cc3ccc4c(c3)OCO4)CC2)sc1C(=O)OC 1872796114 MDLCEUGHLLBHTC-MRXNPFEDSA-N 470.551 2.215 30 10 JEEE CCN1CCN(CC#CCOC2CCN(C(=O)c3coc(NC(=O)c4cccs4)n3)CC2)CC1 1891246599 UMNKQFFVQSWAEO-UHFFFAOYSA-N 485.610 2.251 30 10 JEEE Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCC[C@H](Oc4nccnc4C#N)C3)C2)cc1 1891998550 WNUCZXWZQRAIRL-OALUTQOASA-N 469.567 2.127 30 10 JEEE CCO[C@H](CNC(=O)OC(C)(C)C)CC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2124523706 JNWGAXYZDRDGFL-HNNXBMFYSA-N 450.345 2.034 30 10 JEEE C#CCOCCOCCNC(=O)c1cc(Br)ccc1I 2189859548 FULZLYIOGXAKRI-UHFFFAOYSA-N 452.086 2.450 30 10 JEEE CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[C@H]2C[C@@]2(B2OC(C)(C)C(C)(C)O2)C1)C1CS(=O)(=O)C1 2197504467 IOIJZBHDWFYGOH-PONJGIIJSA-N 484.424 2.009 30 10 JEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](C(=O)N2CCC(=CB3OC(C)(C)C(C)(C)O3)CC2)C1 2197801974 OTQSBVPAELFMAL-QGZVFWFLSA-N 484.424 2.201 30 10 JEEE Cc1csc(C(=O)N(C)C[C@@H](O)CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2255638577 LEMLDQAGFGXDDN-AWEZNQCLSA-N 454.398 2.313 30 10 JEEE Cc1cc(C(=O)NC2(CNC(=O)OC(C)(C)C)COC2)c(B2OC(C)(C)C(C)(C)O2)s1 2255835797 QLCYIAWLZIZDHM-UHFFFAOYSA-N 452.382 2.379 30 10 JEEE CN(C(=O)OCc1ccccc1)C1CN(S(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2255931188 HHJDDUCQIZZBDP-UHFFFAOYSA-N 487.387 2.022 30 10 JEEE CC(C)(C)OC(=O)NC/C=C\CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2256451627 MFMLHPYMFJTPMS-HJWRWDBZSA-N 452.382 2.345 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 2267120172 GMONFVXYNCXKME-CQSZACIVSA-N 467.397 2.116 30 10 JEEE CC1(C)OB(c2csnc2C(=O)N2C[C@H]3CC[C@H]2[C@H](NC(=O)C(F)(F)F)C3)OC1(C)C 2267487370 QYZQEZFSZXMMJJ-UHTWSYAYSA-N 459.299 2.114 30 10 JEEE C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(F)c(F)c1B1OC(C)(C)C(C)(C)O1 2268634771 KIZSYJIXJNMPDC-ZBEGNZNMSA-N 456.295 2.477 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CC[C@H]1CNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2271977488 XVAJKTOPJUCHNQ-KBPBESRZSA-N 487.453 2.165 30 10 JEEE Cc1c(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H](C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281799797 ZYBAPRYVVWLZGA-OAHLLOKOSA-N 462.400 2.357 30 10 JEEE Cc1c(C(=O)NCCCC2CN(C(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281805294 XCOPBEWHJHXSLS-UHFFFAOYSA-N 462.400 2.405 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]3C[C@H]2[C@H]1[C@H]3NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2281991223 XLVGTJUESQSZGE-FEZYCPBGSA-N 458.368 2.083 30 10 JEEE 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]1F 2282005046 NKXSENMZBUOOKE-HUUCEWRRSA-N 466.363 2.105 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2C[C@@H]2[C@@H]1CNC(=O)OC(C)(C)C 2282012531 XGHXJIMDPLKUFR-JYJNAYRXSA-N 460.384 2.013 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)C[C@@]12CCOC2 2282061375 KGLIIJGIKBGPCH-JLCFBVMHSA-N 479.408 2.341 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](CO)[C@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)CC1 2282198423 AZFZGMNPUFCFOD-HZPDHXFCSA-N 464.368 2.317 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2F)C[C@H](O)C1 2282400867 JJQRPQDRMLZUNS-INIZCTEOSA-N 464.343 2.179 30 10 JEEE C[C@@H](CC1CN(C(=O)OC(C)(C)C)C1)NS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282423476 PENSZHAMVJHEOZ-HNNXBMFYSA-N 481.424 2.305 30 10 JEEE Cn1ncc(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 2282483642 ARCAWHHTGIWZFR-ZOBUZTSGSA-N 460.384 2.095 30 10 JEEE Cn1nc(C(=O)N[C@H]2C[C@H]3C[C@H]2C[C@@H]3NC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2282621398 RIZIOVGQHQOFSY-FZKCQIBNSA-N 460.384 2.141 30 10 JEEE CC(C)(C)OC(=O)NCCN1CCC(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)CC1 2282637685 BTFWJDZWGAUMGS-UHFFFAOYSA-N 462.400 2.033 30 10 JEEE CC(C)(C)OC(=O)N1CCC(F)(CNC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)CC1 2282647746 FURJJWPYZFIQDV-UHFFFAOYSA-N 464.347 2.245 30 10 JEEE C[C@H]1CCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2O)C[C@@H]1NC(=O)C(F)(F)F 2282810342 SDUHRFXFAFSNRU-WFASDCNBSA-N 456.270 2.221 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2C[C@H](NC(=O)c3nccnc3B3OC(C)(C)C(C)(C)O3)C[C@H]21 2283068320 LFJKQTYBCWCDJH-CAOSSQGBSA-N 458.368 2.197 30 10 JEEE CCN(C(=O)OC(C)(C)C)[C@H]1COC[C@H]1C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2283961977 GOTSNBDBNABQQZ-CABCVRRESA-N 481.424 2.331 30 10 JEEE CCn1cc(C(=O)N2C[C@@H]3C[C@@]3(CNC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2288253553 YOQLYVGFMHRSOH-NPMXOYFQSA-N 460.384 2.189 30 10 JEEE COc1ccc(N=c2[nH]c3nonc3[nH]c2=NN=Cc2cc(OC)c(OC)c(OC)c2)cc1 2297507242 RALWYVHCORXTGP-UHFFFAOYSA-N 451.443 2.081 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N=c2[nH][nH]cc2C2CN(C(=O)OC(C)(C)C)C2)C1 2352399143 AQFWTAJCRKHCMZ-UHFFFAOYSA-N 459.547 2.411 30 10 JEEE CC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)CSc2n[nH]c(N/N=C/c3cccnc3)n2)cc1 21038566 QPKDRKGTASJZGA-LVCXCXRVSA-N 488.599 2.453 30 10 JEEE N#Cc1ccccc1CO[C@]1(C(=O)NC2CC2)C[C@H](OCc2ccccc2F)[C@H](O)[C@H](O)C1 37421816 FHSGLMDZHAMTAG-QENXHYHDSA-N 454.498 2.332 30 10 JEEE Cn1c(=O)c2c(nc(NN=C(C(=O)O)c3ccccc3)n2C/C=C\c2ccccc2)n(C)c1=O 606351500 MDOVKAOSVUNNHC-JCMSXBTOSA-N 458.478 2.048 30 10 JEEE CC1(C)OB(c2ccccc2NS(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)OC1(C)C 704306033 MZQMPMLZVGPSKF-UHFFFAOYSA-N 470.356 2.414 30 10 JEEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1cccc(C(F)(F)F)c1 729671899 RGMPMSKIOCPUMB-UHFFFAOYSA-N 495.486 2.347 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)nc2)ccc1F 915605187 KBYBJYXBXRUQNP-HZPDHXFCSA-N 462.547 2.229 30 10 JEEE COc1ccc(C=NNc2nnc(SCC(=O)Nc3cccc(NC(C)=O)c3)n2N)cc1 1084001864 PDQBJUDKQAILBY-UHFFFAOYSA-N 454.516 2.136 30 10 JEEE COc1ccc(CNC(=O)CSc2nnc(NN=Cc3c[nH]c4ccccc34)n2N)cc1 1084103853 RXCSJUYLQQNONL-UHFFFAOYSA-N 450.528 2.336 30 10 JEEE C#CCN1CCC(NC(=O)[C@@H](CCSC)NS(=O)(=O)c2ccc3ccccc3c2)CC1 1155873494 OKYYUQRQNZLCTJ-JOCHJYFZSA-N 459.637 2.454 30 10 JEEE C#CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1286360672 ILFDXEATPTVNFA-HOTGVXAUSA-N 451.980 2.422 30 10 JEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1ccc(N(CC)CC)cc1)[C@@H]1CCS(=O)(=O)C1 1286383652 YOKVAZXARDFCJE-JOCHJYFZSA-N 498.653 2.035 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CCOc1ncccc1Cl)[C@H]1CCS(=O)(=O)C1 1286393073 JKRDFYNUQFHWAR-SFHVURJKSA-N 486.985 2.018 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H](C)Oc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1286396935 XKTMEJLXMNCVMW-LMMKCTJWSA-N 462.547 2.015 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1cccc(CO)c1)[C@@H]1CCS(=O)(=O)C1 1286398164 HDPCSVMUVFVDQD-YPAWHYETSA-N 486.638 2.364 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CC1(c2ccc(F)cc2)CCOCC1 1286460582 GVPVTKBLYXOYHZ-UHFFFAOYSA-N 469.561 2.488 30 10 JEEE C#CCN(CCOC)c1nnc(Cc2ccncc2)n1C[C@@H]1C[C@@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1286466967 OVBLWLBIZUJBJQ-BHIFYINESA-N 496.612 2.374 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2CCCS(=O)(=O)c2ccccc2)CC1 1286479357 GWQWKSXOWLVGLK-NRFANRHFSA-N 457.600 2.139 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1286549748 GVIQCKDTIRTQCV-UPVQGACJSA-N 477.613 2.445 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccc2OC)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1286559273 VRSYMNUSAYOBDW-NOXFTYBFSA-N 489.642 2.329 30 10 JEEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](CCN2CCCC2=O)c2ccccc21 1286768960 IWEZWKJOGHDXQJ-DLBZAZTESA-N 458.588 2.322 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 1286782162 MCCVIPXTKHJOJT-SFHVURJKSA-N 462.514 2.203 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[C@H](NC(=O)CC)C2)cc1 1286797035 QILKHFHGPOMKLP-ICSRJNTNSA-N 452.559 2.337 30 10 JEEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCc2ccccc2CC1 1286822779 HKPBUDFTHWJINA-UHFFFAOYSA-N 485.635 2.476 30 10 JEEE CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nccs2)CC1 1291832249 GAGGTZOQUJSTPW-QGZVFWFLSA-N 464.599 2.358 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2Cc2ccc(NC(C)=O)nc2)c1 1300334542 PCPDQRKKXVEUIR-FQEVSTJZSA-N 473.537 2.240 30 10 JEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(F)(F)F)CC1 1300365547 YTCKRFKTCHRKOM-INIZCTEOSA-N 463.526 2.193 30 10 JEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(=O)Nc2ccccc2)CC1 1300380736 HGFAPSDLSOUVRF-QGZVFWFLSA-N 473.603 2.092 30 10 JEEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1300412197 YVMYYZBWPNRBDW-FQEVSTJZSA-N 450.591 2.170 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1cccc(C(C)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 1300479248 KFKTZVKKTPFXFB-GOSISDBHSA-N 479.553 2.203 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(Br)c2)n1CCCNS(=O)(=O)CC 1300602415 DJVDRXXDTHGROR-UHFFFAOYSA-N 454.394 2.497 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CCC(=O)Nc1cccc(Cl)c1C 1300666369 XWXZJXUZWAWPNY-GOSISDBHSA-N 458.950 2.306 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2(COC)CCOCC2)CC1 1300689544 YGFLUBFCMUBEOL-UHFFFAOYSA-N 454.531 2.052 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCc2cn[nH]c2)CC1 1300726829 RTEIEPSDHXGXGQ-UHFFFAOYSA-N 451.962 2.454 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CCS(=O)(=O)CC 1300870202 RAYAJKRMTIOWTK-QUCCMNQESA-N 496.655 2.201 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCN(CCOC)CC1 1301485176 SNAIAIKLMYETGH-KRWDZBQOSA-N 458.632 2.202 30 10 JEEE C[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)[C@@H](c1ccccc1)N(C)C 1312656790 DBMTWJHXASRYHK-AVRDEDQJSA-N 455.584 2.266 30 10 JEEE CCN(CC)[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@](F)(C#N)C1)c1ccsc1 1313663541 FRNQBUXPUNCXPC-VPWXQRGCSA-N 483.639 2.475 30 10 JEEE CCN1CCN(C[C@@H](C)Cn2c(CC(C)C)nnc2N2CCN(c3ccc(C#N)cn3)CC2)CC1 1313955132 FUENXJZLUAOXLD-JOCHJYFZSA-N 479.677 2.343 30 10 JEEE CN(C)[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](C#N)C1)c1c(F)cccc1F 1314646952 HTEIVQZTBNJOTL-QAPCUYQASA-N 482.495 2.235 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3csc(C)n3)n2CC[S@@](=O)CC)c1 1358903511 ZMAZDQKDGFJGPN-YTTGMZPUSA-N 470.624 2.459 30 10 JEEE C#CCN(c1nnc(C(C)C)n1C[C@H]1CC(=O)N(c2ccccc2)C1)[C@@H]1CCS(=O)(=O)C1 1358955622 PVVPRWZTPTZRDG-AZUAARDMSA-N 455.584 2.081 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccccc1COCC)[C@H]1CCS(=O)(=O)C1 1358967143 FAHBKSTXKSFUTH-LEWJYISDSA-N 458.584 2.341 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@H](C1CC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1358967206 GAAKKFHVSLIOOV-RBBKRZOGSA-N 471.627 2.132 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H](C)N(C)C)CC1 1359034966 HTVUEYAMWFEBSO-PMACEKPBSA-N 459.639 2.098 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H](OC)c2ccccc2)CC1 1359038502 YPAXYIRDSKTUCV-FQEVSTJZSA-N 464.595 2.413 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCNC(=O)c2ccc(C)cc2)CC1 1359044500 HRSAUPSENIEMOB-JOCHJYFZSA-N 478.597 2.224 30 10 JEEE C=C1CCN(c2nnc(CCN3CCN(c4ccccc4)CC3)n2C[C@H](COC)OC)CC1 1359167360 CTJSPEJGIKDLLF-HSZRJFAPSA-N 454.619 2.461 30 10 JEEE C=CCCCCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(CC(=O)N(C)C)CC1 1359205241 QTTKBYDFZCWFLD-UHFFFAOYSA-N 450.591 2.083 30 10 JEEE C=CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(CCOCC)[C@@H](CC)C1 1359286329 JHXMOXQQUQRPQV-SFHVURJKSA-N 461.636 2.361 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@H]1c1cnn(C)c1 1359296831 VUTJPUVRQSCALH-IBGZPJMESA-N 451.531 2.340 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC(CO)CC1 1359332426 XJZREGQKVRWQNQ-UHFFFAOYSA-N 497.662 2.202 30 10 JEEE C=CCS(=O)(=O)CCNC(=O)[C@@H]1CCCN1C(=O)OCc1ccc(Br)cc1 1435647957 OLALTXZPMKSOJG-INIZCTEOSA-N 459.362 2.267 30 10 JEEE C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@@H](N1CCN(C(=O)OC(C)(C)C)CC1)C(F)(F)F 1436016241 AHIUYTGZLANYAE-HZPDHXFCSA-N 450.502 2.057 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)N3C[C@@H]4CCCS(=O)(=O)[C@@]4(C(F)(F)F)C3)cc2C1=O 1463445225 KZTHLIUQYAWHCH-DJJJIMSYSA-N 456.442 2.050 30 10 JEEE C#CCNC(=O)C1CCN(C(=O)Nc2ccc(Oc3ccnc(C(=O)NC)c3)c(F)c2)CC1 1476704805 JXAWQPJMFQIATD-UHFFFAOYSA-N 453.474 2.366 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@H]1CC(=O)N(c2ccccc2)C1)[C@@H]1CCS(=O)(=O)C1 1507621955 DBWFSOWZIWWCSC-UYAOXDASSA-N 469.611 2.255 30 10 JEEE C#CCN(c1nnc(-c2ccccc2)n1CC1CN(C(=O)OC(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1 1507627567 DUISIXMCSOXALD-FQEVSTJZSA-N 485.610 2.439 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1CCCOC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1507629775 PXZOTPIXHKGYHF-LJQANCHMSA-N 488.610 2.166 30 10 JEEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@@H](C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1507632934 QVZUIPCVFMJCKL-HMXCVIKNSA-N 490.651 2.001 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@H]1CC[C@@]2(CCOC2)O1 1507643704 QOQMQXPFDGFAQZ-CLOONOSVSA-N 466.538 2.382 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1([S@@](C)=O)CC1 1507666369 AWHXXEGGRGQOCU-MGBGTMOVSA-N 462.579 2.049 30 10 JEEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc(C(=O)NCC)cc1 1507687111 KMLZQUXVOTXHOL-UHFFFAOYSA-N 479.610 2.496 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCn2ccnc2C)CC1 1507733253 RATQXQIASCVSJW-BGYRXZFFSA-N 468.606 2.009 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CCCCN2CCN(CC)CC2)CC1 1507734468 NNQGVDZEOUBGIS-UHFFFAOYSA-N 481.645 2.230 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1507804969 LODOEMRDZBOPKA-HDAAZOAOSA-N 480.679 2.180 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@](C)(CC)C1 1508071055 ALKCELRBMWZAFM-JOCHJYFZSA-N 460.604 2.124 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CCN2CCOC(C)(C)C2)C1 1508132337 TWKFQHHYVZXARF-GOSISDBHSA-N 474.631 2.162 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCCN(Cc2ccccc2)CC1 1508138932 ARCVQVPQUAOXBG-UHFFFAOYSA-N 467.599 2.048 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCN(c3ccccc3C)CC2)nnc1[C@@]1(OCC)CCOC1 1508149461 VMUPVOZJBKEBDN-XMMPIXPASA-N 489.642 2.166 30 10 JEEE C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1ncccc1N(C)C 1508434327 CBQKQLRGTXHIMN-ZWKOTPCHSA-N 497.625 2.496 30 10 JEEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOc1cccc(C(F)(F)F)n1 1509950244 DXYITHOMTOTAJW-ZIAGYGMSSA-N 472.493 2.411 30 10 JEEE Cn1cc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2Cc2ccc(CS(C)(=O)=O)cc2)cn1 1517368361 CIHQVBFPMHFXRN-JOCHJYFZSA-N 453.572 2.402 30 10 JEEE C=CCN1C(=O)C(=O)N(CC(=O)N2[C@H](C)CN(c3ccc(C(F)(F)F)cc3)C[C@H]2C)C1=O 1527651539 DYFMYADJAMGJDA-ZIAGYGMSSA-N 452.433 2.108 30 10 JEEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1CCN(CCN(C)C)CC1 1539146119 YPQODOLOLGZFDE-UHFFFAOYSA-N 472.037 2.205 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCSC(C)C)CC1 1539434239 DWRDCPOWMOCDJS-UHFFFAOYSA-N 476.672 2.092 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2C[C@H]2CN(CC(C)C)CCO2)CC1 1539453157 FLQQPHKPLUHYQQ-JOCHJYFZSA-N 454.594 2.120 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2cc(C)cc(OC)c2)CC1 1539469926 VUFXWDJEUBGAFC-AREMUKBSSA-N 481.597 2.261 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](c2ccccc2)C2CC2)CC1 1539470215 ZJOZBKZEVLLBMI-AVRDEDQJSA-N 498.653 2.048 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)CC1 1539476069 RSHIRHFDHAQEMT-KRWDZBQOSA-N 469.590 2.494 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2CCSC2(C)C)CC1 1539489815 OHIGWRYOIRGEHR-ZCNNSNEGSA-N 475.659 2.500 30 10 JEEE C#CCSCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCNC(=O)[C@H]1CC 1539509910 APDWFZBYAIAJNT-LJQANCHMSA-N 479.610 2.146 30 10 JEEE C#CCSCCn1c(N2CCO[C@@H](Cn3cc(C)cn3)C2)nnc1[C@]1(OC(C)C)CCOC1 1539530607 JYJPRDAPBFALEC-OFNKIYASSA-N 474.631 2.095 30 10 JEEE C#CCSCCn1c(N2CCc3nn(C)c(=O)cc3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1539530624 KJEDELZXTMYKIQ-MAEOIBBWSA-N 499.641 2.072 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(Cn2nc(C)cc2C)n1CC1CCN(CCN(C)C)CC1 1539563801 PVLCBRXMKFEGDQ-RUZDIDTESA-N 452.651 2.405 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CC[C@H](CO)O1 1539651376 FDNBSXPRISZYRX-ZWKOTPCHSA-N 462.620 2.489 30 10 JEEE C=C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1539828629 MWHRLJTWROPPFC-IERDGZPVSA-N 450.536 2.263 30 10 JEEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1540054728 VMCDRYGSVPDZGQ-QGZVFWFLSA-N 473.521 2.234 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1540867491 XUXPPHLXMCCIBW-SFHVURJKSA-N 491.614 2.058 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 1540868267 YKTSFCLWPVQDNF-SFHVURJKSA-N 466.521 2.125 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2C[C@H](C)O[C@@H](COC)C2)cc1 1540877553 ZAJDERWZEYPNOX-GHTZIAJQSA-N 455.559 2.367 30 10 JEEE CC(=O)NC1CCC(N(C)c2nnc(COc3ccc(C#N)cc3)n2CCCC(=O)N(C)C)CC1 1541026905 BJUVVGRTGSITLC-UHFFFAOYSA-N 481.601 2.481 30 10 JEEE COCCNC(=O)[C@@H]1CN(C(=O)c2cccnc2)CCN1c1ccc(C#N)c(C(F)(F)F)c1 1548368128 WRITUYWCMRLWDI-IBGZPJMESA-N 461.444 2.066 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCCN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1588034040 ANUZXOOUUZLTOG-NRFANRHFSA-N 471.627 2.456 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CC(C)(C)N2CCC[C@@H](C)C2)CC1 1588930574 ZGPXVMWIBJAPGA-TZIWHRDSSA-N 456.635 2.258 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCNC(=O)C1 1589459710 CGDAARFGSOHRHC-ZDUSSCGKSA-N 455.357 2.195 30 10 JEEE C=C(Br)Cn1c(N(C)CCCS(C)(=O)=O)nnc1[C@@]1(OC(C)C)CCOC1 1589459938 HMYRTJPDJCKWDY-QGZVFWFLSA-N 465.414 2.098 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CCN1CCOC(C)(C)C1 1589483199 NHRTWOAMGQJAJL-CTNGQTDRSA-N 483.617 2.454 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(C)nn1C 1595075981 QDDWFXOHTIJRDL-LJQANCHMSA-N 470.599 2.472 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(CN2CCC(O)CC2)cc1 1595212354 OMJXLDKHSGJNHX-QFIPXVFZSA-N 450.587 2.413 30 10 JEEE C=CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1595366540 DYUHBOXNYNXPSQ-UHFFFAOYSA-N 454.575 2.283 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CC[C@]3(CCS(=O)(=O)C3)C2)cc1 1595608596 UOYCNTIVRFJDBY-QHCPKHFHSA-N 473.599 2.044 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(N(C)C(C)=O)CC1 1595658572 GZGKASUITNJGBC-FQEVSTJZSA-N 452.559 2.289 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](CC)c2ccccc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1595758628 AZGCDHIIXGTKGF-RBUKOAKNSA-N 466.629 2.044 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1ccccc1C 1595760462 MYTAHGKRVPYBTJ-UHFFFAOYSA-N 454.556 2.471 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCCN(C(C)=O)CC1 1595772940 KBMSSKOAFGQCBS-UHFFFAOYSA-N 469.970 2.397 30 10 JEEE Cc1cnn(CCn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N2CCC(C#N)CC2)c1 1612341830 AENJSHHPKIRIEN-UHFFFAOYSA-N 468.587 2.141 30 10 JEEE COc1cc(OC)cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC(=O)N(C)C2CCCCC2)c1 1619135415 HWWNVTWKOPDYJR-NRFANRHFSA-N 468.558 2.482 30 10 JEEE CN1C(=O)c2cccc3c(S(=O)(=O)N[C@@H]4CN(C(=O)OC(C)(C)C)C[C@@H]4C#N)ccc1c23 1654905449 HLEMKMTUMJXGGH-XJKSGUPXSA-N 456.524 2.467 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2CCNC(=O)C(C)(C)C)c1 1689872128 PAYISQZYNAAZHE-UHFFFAOYSA-N 473.581 2.482 30 10 JEEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1689941399 OWDIYHPKYDXLSW-MSOLQXFVSA-N 457.579 2.320 30 10 JEEE C#CCN(C)c1nnc(-c2cccc(Br)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1689948894 JWLPIPNPUFOCEH-ZPHPHTNESA-N 455.316 2.303 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1CC1(COC)CCC1)[C@H]1CCS(=O)(=O)C1 1689984412 OUVNPPYROHUAQZ-SFHVURJKSA-N 488.610 2.406 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@]2(O)CCO[C@H]2C)CC1 1690113235 DODCASNKFUOOEQ-HRAATJIYSA-N 460.376 2.003 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCN2CCOCC2(C)C)CC1 1690132336 OMFPLXAPPJHECG-UHFFFAOYSA-N 466.630 2.340 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCCSCC(C)C)CC1 1690135363 UVXYRDRMFCMIMH-UHFFFAOYSA-N 460.648 2.259 30 10 JEEE C#CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@H](C)[C@H](OC)C1 1690170048 XOPQWOIVXKPEPG-FUHWJXTLSA-N 462.645 2.466 30 10 JEEE C=C(C)CN(CC)c1nnc(Cn2nc(C)cc2C)n1CCc1ccc(S(N)(=O)=O)cc1 1690269607 AXHXLHZZGURFBA-UHFFFAOYSA-N 457.604 2.432 30 10 JEEE C=CC[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCCN(S(C)(=O)=O)CC1)c1ccccc1 1690447894 ZJNIZRIJVWZWPO-OAQYLSRUSA-N 486.642 2.232 30 10 JEEE C=CCn1c(CCOc2ccccc2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1690648056 BWMYIFDCNJWXHD-UHFFFAOYSA-N 466.586 2.026 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@]2(C)OCCc3sccc32)C1 1690686191 KOTPQLHVFZMUAH-GCKMJXCFSA-N 481.644 2.219 30 10 JEEE CC(C)(C)S(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC2(CC1)COC(=O)N2 1691317674 BUPFBOUACVUPJB-UHFFFAOYSA-N 472.571 2.109 30 10 JEEE CCN1CCN(C[C@@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H](C(=O)OC)C2)CC1 1695896548 FNNUOVVHQNUAGG-OFNKIYASSA-N 479.629 2.480 30 10 JEEE CN(CC(=O)N1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1C[C@](C)(O)c1ccsc1 1696653870 GAYYBCBPPGSIAD-QHCPKHFHSA-N 466.567 2.081 30 10 JEEE CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)N2CCC(C)CC2)CC1 1697010953 DOHHGUUOIQUQOZ-IBGZPJMESA-N 450.591 2.399 30 10 JEEE CNS(=O)(=O)CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@](F)(C#N)C1 1697020255 DJZZKDSYHHFBGK-UZLBHIALSA-N 450.540 2.026 30 10 JEEE COc1cccc(Cl)c1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](C#N)C1 1697537859 BCNJCRUUPHALLA-AWEZNQCLSA-N 453.890 2.364 30 10 JEEE COCCN(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(N2CCCC2=O)CC1 1698023908 FFXSGUGVHYHOFL-UHFFFAOYSA-N 465.602 2.376 30 10 JEEE CS(=O)(=O)NC[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCn2cc(Cl)cn2)C1 1698315112 CYEAMYLDSSDFBR-KRWDZBQOSA-N 489.005 2.132 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CC(C)(C)CN(C)C)[C@H]1CCS(=O)(=O)C1 1705563073 QFHWMUIFZCBHFT-FQEVSTJZSA-N 454.600 2.031 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1CCc1nnc(C)s1)[C@H]1CCS(=O)(=O)C1 1705568252 JUJSPBMLSAPYSJ-SFHVURJKSA-N 486.623 2.195 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccccc1N1CCOCC1 1705588813 FNEAERVNEPWCBQ-UHFFFAOYSA-N 469.549 2.273 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2CC[C@H](C(F)F)N2CCOCC2)CC1 1705640847 IEIIFVYBTKYAER-JOCHJYFZSA-N 472.584 2.289 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2csc(C)c2)CC1 1705652676 IMYGFJFXVKSDRH-PMACEKPBSA-N 457.600 2.386 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1705709868 SJUSDGRZRJTHKR-YJRNTSOCSA-N 474.650 2.175 30 10 JEEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 1705721210 PSXBCVFAVJYXQJ-HOTGVXAUSA-N 456.613 2.300 30 10 JEEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCNC(=O)c1cccs1 1705837125 QEOAGTIKWGCRQN-UHFFFAOYSA-N 474.612 2.309 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC(=O)N(C)CC 1705885433 RLUVVVOYGXWDIU-KRWDZBQOSA-N 450.584 2.467 30 10 JEEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)COc2ccc(F)cc2)CC1 1705893974 JNJVYVQGLWOASH-UWJYYQICSA-N 459.522 2.055 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@H](C)[C@@H](OC)C1 1705895586 LSXDTQDJMAKBEH-BBRMVZONSA-N 451.369 2.210 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCOC(C)(C)[C@H]1C 1705930431 MZNYYQHVZIVLCC-MRXNPFEDSA-N 496.033 2.466 30 10 JEEE CCCCN(C)CCn1c(Cc2cccnc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1709608764 CRGKKUCPAGCDMP-HXUWFJFHSA-N 474.617 2.373 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1Cc1cccc(OCCN(C)C)c1 1722289818 AYMWMMKUBIADAL-QGZVFWFLSA-N 450.543 2.452 30 10 JEEE C#CCN(c1nnc(CC)n1Cc1ccc(I)cc1)[C@H]1CCS(=O)(=O)C1 1722367117 LXVLSBPIZNSRCR-INIZCTEOSA-N 484.363 2.120 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1722370182 AEFSHBVDZWQLHE-MOPGFXCFSA-N 479.647 2.407 30 10 JEEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1Cc1ncn(-c2ccccc2)n1 1722401088 KTTFUMUPDJOVLR-UHFFFAOYSA-N 470.562 2.362 30 10 JEEE C=C(C)Cn1c(-c2cnn(C)c2)nnc1N1C[C@@H](C(=O)OC)[C@H](CNC(=O)OC(C)(C)C)C1 1722522113 WXDFCFXCBVSMLU-NVXWUHKLSA-N 459.551 2.005 30 10 JEEE C=C(C)COCCn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1722530330 CVDDQRRABYGJPG-JOCHJYFZSA-N 468.602 2.289 30 10 JEEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1722598518 JKBJBZSLUYWYHA-UHFFFAOYSA-N 457.623 2.005 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1722693020 BKHUUAZHIWFQRA-MRXNPFEDSA-N 455.437 2.032 30 10 JEEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2F)CC1 1722731630 AXJRMFPVOOHGEJ-INIZCTEOSA-N 468.624 2.273 30 10 JEEE CC(C)(C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](CN2CCOCC2)C1 1722879353 HBJCQAOFFHPWCQ-HXUWFJFHSA-N 465.602 2.138 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1c(Cl)cccc1OC)[C@H]1CCS(=O)(=O)C1 1740626216 KKBRQJKLOHKKBT-HOTGVXAUSA-N 464.975 2.119 30 10 JEEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cccc(CN2CCO[C@@H](C)C2)c1 1740631526 JZBBKFXQJSKIKE-WXVAWEFUSA-N 477.609 2.272 30 10 JEEE C#CCN(CC#C)c1nnc(-c2c[nH]c3ccccc23)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1740637687 AXUIBXLTLMJVSB-HSZRJFAPSA-N 457.582 2.442 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C3(c4ccccc4)CCC3)n2CC[S@](=O)CC)CC1 1740703549 WTWFHYPYOSOENL-MGBGTMOVSA-N 467.639 2.483 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccc(OC)cc3)n2CCNC(=O)C(C)(C)C)CC1 1740708101 BMHHKEYPUUSNMP-UHFFFAOYSA-N 494.640 2.200 30 10 JEEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC2(CC1)COC(=O)N2 1740713090 DUNKFARHNZVDFM-UHFFFAOYSA-N 457.556 2.408 30 10 JEEE C#CCSCCn1c(N2CC(C)(C)O[C@@]3(CCOC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1740722113 DVFHSAMOCHZTKV-XZOQPEGZSA-N 464.632 2.459 30 10 JEEE C=CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CCS(=O)(=O)N1CCSCC1 1740893657 RJXOCVRYDRYJCK-UHFFFAOYSA-N 475.438 2.037 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCO[C@@H](c2ccc(F)c(F)c2)C1 1740961846 KFZYDRUGFHQPAX-HXUWFJFHSA-N 454.481 2.422 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1740987367 FOIQQQZVDYXILN-BSRJHKFKSA-N 471.583 2.190 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1C[C@H](C)O[C@H](COC)C1 1740990076 HXBWMSXTRVINQM-HKUYNNGSSA-N 487.582 2.441 30 10 JEEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1741000694 DPCKELOULOGLPR-IXDOHACOSA-N 462.620 2.452 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCc1scnc1C)[C@H]1CCS(=O)(=O)C1 1748808268 JDQANVKOQBDHQI-SFHVURJKSA-N 486.579 2.488 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCCc1nnc(C)s1)[C@H]1CCS(=O)(=O)C1 1748808323 JRIBHWTYKGCJAU-INIZCTEOSA-N 460.585 2.266 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCCN(CC)CC)[C@H]1CCS(=O)(=O)C1 1748810045 RJQKIISBUCKWNL-NRFANRHFSA-N 454.600 2.175 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC(=O)NCc1ccco1 1748858479 BQUXEKHBTDFOJO-HDICACEKSA-N 466.542 2.031 30 10 JEEE C#CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@@H]1CCOC1 1749038610 UULAUKLKNJUKNX-ZWKOTPCHSA-N 465.620 2.426 30 10 JEEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](c2cccc(C)c2)C1 1749038843 XWSRDOUQWAPXMS-RTWAWAEBSA-N 489.667 2.280 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)COC)CC1 1749120361 CZUHJAMNUCXBDK-NQIIRXRSSA-N 470.530 2.130 30 10 JEEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1749195545 RFGOAAFBVOGOCT-OPAMFIHVSA-N 462.551 2.194 30 10 JEEE C=C(Cl)Cn1c(-c2cccc(C)n2)nnc1N1CCN([C@@H](C)C(=O)NCCCOC)CC1 1749265424 VCPQCLVBMDOZHB-SFHVURJKSA-N 461.998 2.064 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1749353934 DVIMCXAIOKAFOA-MRXNPFEDSA-N 493.634 2.186 30 10 JEEE C=CCC(C)(C)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1749355665 MYPXSONQVBDUBY-UHFFFAOYSA-N 496.612 2.063 30 10 JEEE C=CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](NC(C)=O)C1)c1ccccc1 1749382459 MJUIWGLZZRXRTD-UIFIKXQLSA-N 474.631 2.353 30 10 JEEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 1749606116 JZOKYVBRRBNZIC-PMRDEQMMSA-N 468.624 2.441 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H](COC)C1 1749725215 PJYNFIVQGKFDBO-CQSZACIVSA-N 472.409 2.120 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCCN(c2nc(CC)ns2)CC1 1749731797 KOZIIQGEVKHASZ-UHFFFAOYSA-N 465.649 2.277 30 10 JEEE C#CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(C(=O)C(C)C)CC1 1760146524 OSJHBYYHMUHKQH-UHFFFAOYSA-N 471.631 2.265 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@](C)(O)c1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 1760193353 XOAMTKKGZIHILY-ZWDAVXSWSA-N 479.002 2.317 30 10 JEEE C#CCSCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN2C(=O)OC[C@H]2C1 1760280066 HOHNRRZSUXYHGA-QZTJIDSGSA-N 490.630 2.400 30 10 JEEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1760285405 FJWFYLKHPBSCLO-UHFFFAOYSA-N 487.589 2.453 30 10 JEEE C=CCN(CC=C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H]1CC[C@H](CO)O1 1760494441 NURUDEFXKVRJAY-ZWKOTPCHSA-N 450.543 2.393 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1 1760520771 ZCLVYYICUMXCSI-UHFFFAOYSA-N 457.579 2.469 30 10 JEEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 1760521868 FZHAGEPWWJBDLR-PGRDOPGGSA-N 456.639 2.422 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN3CCCC[C@H]3C2)cc1 1760529584 BXWVZMPGRVMBTK-QUCCMNQESA-N 474.631 2.176 30 10 JEEE CCCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2([S@](C)=O)CC2)CC1 1764525624 DTQNRKPKSKVRBF-YTTGMZPUSA-N 454.600 2.470 30 10 JEEE CCC[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1)OC 1765573716 DRYISUCOOIYPRX-FCHUYYIVSA-N 486.642 2.189 30 10 JEEE CC(C)C[C@H](C(=O)N[C@@H]1CCN(S(=O)(=O)c2ccccc2C#N)C1)N1C(=O)c2ccccc2C1=O 1858334196 DPJWQYTUCYUCLB-WIYYLYMNSA-N 494.573 2.148 30 10 JEEE CCCC[C@@H](NC(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2cccc(C#N)c2)cc1)C(=O)O 1858976943 CWRWAAMFOWBNFH-HXUWFJFHSA-N 486.550 2.162 30 10 JEEE CC(C)OCCCNC(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2cccc(C#N)c2)cc1 1858977728 RUCDVDWWNSVNQN-UHFFFAOYSA-N 472.567 2.334 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1 1862697527 MCELYEOSCZXWAO-OAQYLSRUSA-N 484.505 2.435 30 10 JEEE COc1cc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2CCCNC=O)cc(OC)c1OC 1862762841 SXVYQAALIJJPJU-FQEVSTJZSA-N 499.476 2.335 30 10 JEEE C=CCn1cc(OCC(=O)Nc2ccccn2)c(=O)cc1CN1CCN(c2ccccn2)CC1 1870499191 GEKUDTPVDXVAGP-UHFFFAOYSA-N 460.538 2.164 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)N(C)C[C@@H]2CCCO2)cn1CCCCCO 1870548765 CAYZURXAFZNRPF-QFIPXVFZSA-N 461.603 2.201 30 10 JEEE C=CCOc1ccccc1/C=N/n1c(SCC(N)=O)nnc1[C@@H]1CC(=O)N(C(C)(C)C)C1 1874274345 QQUWPDCKJFUCIE-UPVZUOOXSA-N 456.572 2.417 30 10 JEEE CC(C)N1C(=O)CS[C@H](C(=O)N2CC[C@H](Oc3cccnn3)C2)[C@@H]1c1ccc(C#N)cc1 1891255384 PCDRPMCSROUHQA-NYVOZVTQSA-N 451.552 2.422 30 10 JEEE CC(C)([C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)[S@](=O)CC(=O)NCC#N 2019031218 UHBZSNCCFKAGKE-JTMIDMFHSA-N 483.546 2.145 30 10 JEEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](NC(=O)OC(C)(C)C)CC[C@H]1C(=O)O 2068508731 DUZXMMMMINUSGZ-JYJNAYRXSA-N 453.536 2.262 30 10 JEEE CC(C)(C)OC(=O)NC1(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CC(F)(F)C1 2124537565 ZMYKYUUOBRIMBP-UHFFFAOYSA-N 454.283 2.407 30 10 JEEE C[C@@H](CNC(=O)C#CC(C)(C)NC(=O)OC(C)(C)C)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 2222518468 CCVAVFVQZPZAOH-QMHKHESXSA-N 453.580 2.417 30 10 JEEE CC1(C)OB(c2n[nH]cc2C(=O)N[C@@]2(C)CCN(C(=O)OCc3ccccc3)C2)OC1(C)C 2247918581 PYMNIHDOBPYQAA-QHCPKHFHSA-N 454.336 2.240 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2255540359 MAFWQFWLKJGPJZ-CZUORRHYSA-N 452.382 2.005 30 10 JEEE Cc1nn(C)c(C(=O)N(C)CCN(C)C(=O)OCc2ccccc2)c1B1OC(C)(C)C(C)(C)O1 2255632440 NBMNHXBXZRENGN-UHFFFAOYSA-N 470.379 2.368 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@](O)(CNC(=O)c2csc(B3OC(C)(C)C(C)(C)O3)c2)C1 2255712828 RXEOEEPCRGBGDZ-NRFANRHFSA-N 452.382 2.149 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@H]2NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2255954176 UJZAIOGXQWWIFF-INWMFGNUSA-N 470.422 2.333 30 10 JEEE C=C(CS(=O)(=O)NC[C@H]1C[C@@H](OC)CN1C(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2255955970 WPLDTFFJBOSTNX-HZPDHXFCSA-N 460.402 2.118 30 10 JEEE CO[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)N(C(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)C1 2267005198 KZJQBKGZMRKDRR-ZIAGYGMSSA-N 467.397 2.197 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]1C 2267190054 JFFMGWQRNUNIDR-NWDGAFQWSA-N 461.315 2.422 30 10 JEEE CC1(C)OB(c2csc(S(=O)(=O)NC[C@@H]3CN(Cc4ccccc4)CCO3)c2)OC1(C)C 2267372514 PKIQPDHHKYFYKE-LJQANCHMSA-N 478.445 2.227 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCc1cnc(NC(=O)OC(C)(C)C)s1 2267491381 CIZQXRVMBXZEAP-UHFFFAOYSA-N 463.369 2.453 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)[C@H](C(=O)N=c1nc(B3OC(C)(C)C(C)(C)O3)[nH]s1)C2 2268677094 QHIFKMMMTWNYMC-MELADBBJSA-N 464.397 2.091 30 10 JEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](CNc2cccc(B3OC(C)(C)C(C)(C)O3)n2)[C@H]1OC 2281493236 OWLYOXXLOIUWFU-FRQCXROJSA-N 463.384 2.442 30 10 JEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)n1 2281953700 NSYXRUCQCJYBQR-YQQQUEKLSA-N 451.380 2.040 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](O)CN1C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2281995744 HAPBPAQKSLLVLW-GJZGRUSLSA-N 481.786 2.134 30 10 JEEE CC(C)(C)OC(=O)N1[C@H](CNC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C[C@H]2COC[C@H]21 2281999540 FRHQWGXLPFNBDR-OFQRWUPVSA-N 479.408 2.197 30 10 JEEE Cc1ccnc(C(=O)N2CCOC[C@@H]2CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2282010531 YKUWZSSADKBFQT-INIZCTEOSA-N 461.368 2.055 30 10 JEEE CCn1cc(C(=O)N2C[C@@H](F)C[C@H]2CNC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2282043697 KXKSHKWYUOSDDT-GJZGRUSLSA-N 466.363 2.280 30 10 JEEE Cc1ccc(C(=O)N[C@H](C)C2(O)CN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2282114325 YYFUBPCOSHWVGF-MRXNPFEDSA-N 460.380 2.394 30 10 JEEE Cc1nc(C(=O)N(C)C[C@]2(O)CCN(Cc3ccccc3)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2282134898 WSQGSQRWKWBRQP-XMMPIXPASA-N 471.432 2.460 30 10 JEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H]1CC(C)(C)[C@@H]1OCc1ccccc1 2282335485 QCUZFBZPMWOTSJ-FXAWDEMLSA-N 475.420 2.382 30 10 JEEE C=CCC1(NS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2282500367 XIEPCEOHYYKKKY-UHFFFAOYSA-N 499.464 2.427 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](CNC(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)CO1 2282523929 FJUXYOXJHBDYCF-CVEARBPZSA-N 461.368 2.040 30 10 JEEE Cn1ncc(C(=O)N[C@H]2CC23CCN(C(=O)OC(C)(C)C)CC3)c1B1OC(C)(C)C(C)(C)O1 2282569485 SCWFDGOVRYVVLL-INIZCTEOSA-N 460.384 2.239 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(F)(F)F 2282587685 OXGFDOFCYPCFBS-GFCCVEGCSA-N 476.305 2.213 30 10 JEEE Cc1c(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282596900 DLIREFRSBVRWDK-GDBMZVCRSA-N 462.400 2.261 30 10 JEEE CC(C)(C)OC(=O)NCC1(CO)CCN(C(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)CC1 2282607990 OYMNEPQMTBHCMT-UHFFFAOYSA-N 481.424 2.182 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CC[C@@H](OCCNC(=O)OC(C)(C)C)C1 2282684069 LXUQZMSBBILTTQ-QGZVFWFLSA-N 463.384 2.080 30 10 JEEE CC1(C)OB(c2csc(S(=O)(=O)N3C[C@H]4CC[C@H]3[C@H](NC(=O)C(F)(F)F)C4)c2)OC1(C)C 2282851662 FHRLAOBMPDRLKF-YUTCNCBUSA-N 494.366 2.267 30 10 JEEE C[C@@H]1C[C@@H](NC(=O)C(F)(F)F)CCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1O 2282977595 DCJPDGXBFAJDCD-OCCSQVGLSA-N 456.270 2.363 30 10 JEEE COc1cccc(C=C2Oc3cc(OCC(=O)N[C@@H](CCC(=O)O)C(=O)O)ccc3C2=O)c1 2297475446 QFTOEUGHNWGSEK-KRWDZBQOSA-N 455.419 2.124 30 10 JEEE COc1cc(C=C2Oc3cc(OCC(=O)N[C@@H](C)C(=O)O)ccc3C2=O)cc(OC)c1OC 2297475669 MYIUGIUSZUYLNF-LBPRGKRZSA-N 457.435 2.297 30 10 JEEE COC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)(C)C)C2)n1N=Cc1cccc(OC)c1O 2327880727 ILORXKTXHVHNOX-AWEZNQCLSA-N 461.544 2.254 30 10 JEEE CC(C)(C)OC(=O)N1CCN(CC(=O)N2CC[C@](C)(B3OC(C)(C)C(C)(C)O3)C2)C(=O)C1 2342471429 RKVQJMOXSFJBOI-QFIPXVFZSA-N 451.373 2.151 30 10 JEEE C[C@@H](NC(=O)C1=C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C1)c1nscc1B1OC(C)(C)C(C)(C)O1 2359391347 WBLVRJASUXNCIV-UHOFOFEASA-N 479.408 2.204 30 10 JEEE CN(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C)[C@H]1CN(C(=O)OC(C)(C)C)CC1(C)C 2362343812 KRCXLNLOHHQCBC-HNNXBMFYSA-N 462.400 2.437 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(C)C2CCN(C(=O)OC(C)(C)C)CC2)n1C 2362488672 ZLSWPPJARGFDJU-UHFFFAOYSA-N 462.400 2.499 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)[C@H]2CCC[C@H]21 2367686608 HXVLRIYLGKYWTJ-DLBZAZTESA-N 458.368 2.390 30 10 JEEE COc1ccc(/C(C)=N/Nc2nc(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)n[nH]2)cc1 20836032 ZICCTSWGEWLUPI-FSJBWODESA-N 475.556 2.028 30 10 JEEE CO[C@H]1O[C@H](COS(=O)(=O)c2ccc(C)cc2)[C@@H](OC(C)=O)[C@@H]2OC(c3ccccc3)=N[C@H]12 32107255 BOYDSGVAFVWMGZ-RRPPUSTOSA-N 475.519 2.218 30 10 JEEE CCC[C@@H]1OC(C)=Cc2cc3c(c(O)c21)C(=O)C([C@@H]1OC[C@@H](O)[C@H](CO)O1)=C(CC(C)=O)C3=O 33753529 UYZRGLQTRZRYKC-HCSKMRSTSA-N 472.490 2.374 30 10 JEEE biogenic,in-vitro CNC(=O)c1ccccc1C#CCNC(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 96348530 WIXWMUNUVSUDEN-INIZCTEOSA-N 454.324 2.330 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)NCc3ccccc3S(=O)(=O)NC(C)(C)C)cc2C1=O 518889444 JYGRBFXVIVCDAA-UHFFFAOYSA-N 455.536 2.475 30 10 JEEE CC#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@@](O)(C(=O)O)C1 757198409 FNZPLGUOFLLCTQ-NVQXNPDNSA-N 462.502 2.355 30 10 JEEE COCCn1cc(C=NNc2nc(SCCC(=O)Nc3cccc(NC(C)=O)c3)n[nH]2)cn1 1084438738 AHFVWUHHEWCWNN-UHFFFAOYSA-N 471.547 2.173 30 10 JEEE COC(=O)c1ccc(C=NNc2nnc(SCC(=O)N[C@@H](C)c3ccccc3)n2N)cc1 1084443181 PNXFMPSFCIVBMN-AWEZNQCLSA-N 453.528 2.194 30 10 JEEE CCc1ccc(-n2ccc(=O)c(C(=O)N=C3C=CC(=[S@](=O)(O)N4C[C@@H](C)O[C@H](C)C4)C=C3)n2)cc1 1086820811 VRSNGEZHJFOLLP-QZTJIDSGSA-N 496.589 2.456 30 10 JEEE C=CC1(CC(=O)N(C)CC(=O)N2CCC[C@H](C(=O)OCC)C2)CN(C(=O)OC(C)(C)C)C1 1142904471 BNGQRTFQSWHCPR-KRWDZBQOSA-N 451.564 2.060 30 10 JEEE N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCc3cc(Br)cc(F)c3C2)c1 1161091792 FYFZOHJRKHIQCM-UHFFFAOYSA-N 452.305 2.323 30 10 JEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)[C@H]2CC(c3c(F)cccc3F)=NO2)c1 1264809833 XCOYOMHIZFUFAV-OAQYLSRUSA-N 453.445 2.331 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1cccc(CN(C)C)c1)[C@H]1CCS(=O)(=O)C1 1286388296 ZTUXYWQAXHNVBC-FQEVSTJZSA-N 452.584 2.010 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1Cc1ccc(NC(C)=O)nc1 1286402794 DPVFDUQPKUMSEF-UHFFFAOYSA-N 474.521 2.445 30 10 JEEE C#CCN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1CC1(NC(=O)OC(C)(C)C)COC1 1286443265 DFSJSUYBQSCRKG-UHFFFAOYSA-N 479.541 2.347 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCCn2ccnc21 1286460149 KUNPQFGFCRCQLD-LJQANCHMSA-N 468.583 2.209 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCCN(C)c2ccccc2)CC1 1286472578 JQMGLOLYMFKTKE-RUZDIDTESA-N 452.603 2.212 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCOc2c(C)cccc2C)CC1 1286473588 UJAWBGCVGOSBGD-VWLOTQADSA-N 453.587 2.381 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCN(C)C(C)C)CC1 1286489458 TZTOYKZBNLSWCE-UHFFFAOYSA-N 468.602 2.268 30 10 JEEE C=C(Br)Cn1c(N2CCN(c3cccnn3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1286546768 ACFRJTGDHFMWCO-HXUWFJFHSA-N 478.395 2.344 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@]2(C)[C@@H](C1)C2(Cl)Cl 1286592535 KGDBRPIRMDETJO-JJRVBVJISA-N 464.419 2.207 30 10 JEEE C=C1CCN(c2nnc(-c3nn(CCC)c(=O)c4ccccc34)n2CCNS(=O)(=O)CC)CC1 1286644934 OCIKECXJOFTJKM-UHFFFAOYSA-N 485.614 2.161 30 10 JEEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@@H](OCC(C)C)C1 1286786686 WWBWATRMDDFCBH-MRXNPFEDSA-N 451.531 2.147 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCN(C(C)=O)CC1 1286815256 PUIIJVRRMKDBPY-MRXNPFEDSA-N 477.656 2.401 30 10 JEEE CC(C)NC(=O)c1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1C[C@H]1CCS(=O)(=O)C1 1288079143 IBLFKBZWLLCVPH-GOSISDBHSA-N 468.583 2.016 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@H]1CSCCS1)[C@H]1CCS(=O)(=O)C1 1300503896 HAUUVOPUFFGSLL-IRXDYDNUSA-N 496.655 2.472 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2CCCCN2CCC[C@H]2CO)CC1 1300701374 QINGECXTWRUPKK-QFIPXVFZSA-N 454.594 2.000 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1300877580 YRIQDMOYYWEVDL-GIVPXCGWSA-N 488.633 2.005 30 10 JEEE C=CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](OC)[C@H](OC)C1 1301223245 PRDPUGCHRBTHLD-KURKYZTESA-N 451.568 2.403 30 10 JEEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2cccc(Br)c2)C1 1301429186 IXMHLYUGJQAXRM-BBRMVZONSA-N 470.393 2.415 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CCN(c2ccnc(C)n2)CC1 1301492039 VTWYEHLXDOGIIV-UHFFFAOYSA-N 497.401 2.435 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC[C@](C)(C#N)C1 1301497123 PAQVUANJXHDKHI-XMMPIXPASA-N 460.542 2.107 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 1301513847 ABNMQLMGFZHYEP-UHFFFAOYSA-N 484.492 2.245 30 10 JEEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1301594538 GNNWBZCJAXRUSM-UHFFFAOYSA-N 463.696 2.330 30 10 JEEE C[C@@](NCC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)(C(N)=O)c1cccc(Cl)c1 1307546103 FTETVQFEVAIYDW-REWPJTCUSA-N 457.937 2.178 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1sccc1Br)[C@H]1CCS(=O)(=O)C1 1358963644 LQRXGJSYORWUDI-KBPBESRZSA-N 485.429 2.281 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1c(Cl)c(C(F)(F)F)nn1C 1358968549 PYZXQNULKCDUGB-UHFFFAOYSA-N 476.850 2.452 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCc1c[nH]c2ccccc12 1358985380 XKXLMWWDHUOGTM-SFHVURJKSA-N 452.584 2.465 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@](C)(O)CC)CC1 1359042506 JFTZHCCNDFMVCA-DEOSSOPVSA-N 455.559 2.089 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccc2F)nnc1N1CCN(CC(=O)NCC)CC1 1359094495 BTHDREUBGFOOBQ-PGRDOPGGSA-N 456.566 2.324 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2OC)nnc1N1CCC(NS(C)(=O)=O)CC1 1359094603 CSUKJHRMAWZVKU-UTKZUKDTSA-N 475.615 2.453 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(=O)NCC(F)(F)F 1359110767 ALLAQLUFNIKOBN-UHFFFAOYSA-N 473.525 2.319 30 10 JEEE C=C(C)COCCn1c(N2CCO[C@@](C)(c3cnn(C)c3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1359137365 NKURAEHMWPBAMG-DNQXCXABSA-N 474.606 2.397 30 10 JEEE C=CCn1c(N2CCN([C@H](C)C(=O)NC3CCCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1359290690 MKRKXQAQIGOBBD-NTKDMRAZSA-N 460.623 2.074 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2c[nH]c3ccccc23)nnc1N1C[C@@H](COC)O[C@H](C)C1 1359330876 FZKBXULDFNTVJV-SJORKVTESA-N 459.572 2.267 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2ccc(F)cc2Cl)C1 1359332462 YGKORRCKKZPVBW-ZWKOTPCHSA-N 497.980 2.200 30 10 JEEE CCN(CC)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2c(C)noc2C)CC1 1501780209 GVWPKFKRUAVUGU-UHFFFAOYSA-N 476.585 2.460 30 10 JEEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1507558026 PJBIGRHJPQXTHA-HXUWFJFHSA-N 499.597 2.268 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1Cc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1507623732 WGVULFYWUXXRBY-GOSISDBHSA-N 461.563 2.011 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCCCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1507630623 DJKHRKSHHBKWDW-HXUWFJFHSA-N 467.599 2.261 30 10 JEEE C#CCN(c1nnc(-c2cn(C)c3ccccc23)n1CCNC(=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1507632370 ZRCIQFBUHTXFDC-GOSISDBHSA-N 496.637 2.226 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1cn(C2COC2)nn1 1507699693 IJXIDAZGHBRTKZ-SFHVURJKSA-N 456.551 2.021 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCOC[C@H]1OC 1507702268 HRAIUXMMWQLJQY-PZJWPPBQSA-N 455.534 2.231 30 10 JEEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1CCN(C(=O)OC)CC1 1507710438 GLPVZNFVIRBEMJ-UHFFFAOYSA-N 496.616 2.017 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@H]1CCCS(=O)(=O)C1 1507711015 YAKFKHMGSACVDX-IBGZPJMESA-N 468.583 2.042 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2CCN(CC)C2CC2)CC1 1507735345 TVIYADYRMOMPDA-UHFFFAOYSA-N 450.587 2.404 30 10 JEEE C=CC[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1)c1ccccc1 1507928588 KSWVGWXENSFUAD-VIZSFHNOSA-N 488.589 2.413 30 10 JEEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCC1(O)CCOCC1 1507982267 RVNPHDQBQLROEO-QGZVFWFLSA-N 451.568 2.140 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1508075607 XNPWUKVYHDKFAU-SFHVURJKSA-N 455.559 2.396 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCN(C(=O)C(C)C)CC1 1508087277 OKUNFCSNELEFAB-UHFFFAOYSA-N 463.542 2.207 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(Cc2ccsc2)CC1 1508142554 UALSALJYAZILCY-LJQANCHMSA-N 465.645 2.157 30 10 JEEE CC(=O)N[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCc2cnn(C)c2)C1 1508326070 AOWHJYMPYBXJPY-OAQYLSRUSA-N 462.558 2.200 30 10 JEEE CCNC(=O)C(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1515962994 DSVHIQDPURSLJK-IBGZPJMESA-N 484.626 2.383 30 10 JEEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccnc(-n2cccn2)c1 1517449536 DFXPHVWFUJORHK-KRWDZBQOSA-N 455.526 2.264 30 10 JEEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(SC)CCN(C)CC1 1539172213 VLYGJRFDXLPNJF-UHFFFAOYSA-N 451.600 2.089 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCC[C@@H](O)C1 1539311916 BWUMSFFYKBSFAE-RBUKOAKNSA-N 454.600 2.252 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCC(=O)N[C@H](C)CC 1539312632 WPGAPHFZRZOPLG-GOSISDBHSA-N 469.615 2.006 30 10 JEEE C#CCN1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(I)cc2)CC1 1539446089 QCXGQUDEMWNNRJ-UHFFFAOYSA-N 485.333 2.143 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2C[C@]2(O)CCOC2)CC1 1539468728 HVTVWSVQVBKGCE-FQRUVTKNSA-N 481.597 2.152 30 10 JEEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1539533991 XAONNJTWNQDXEG-KZNAEPCWSA-N 469.677 2.081 30 10 JEEE C=C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1539828630 MWHRLJTWROPPFC-IIBYNOLFSA-N 450.536 2.263 30 10 JEEE C=CCN(CCOC)c1nnc(-c2ccccc2Br)n1CCN1CCCS1(=O)=O 1540193911 DXNOQMUZZAPEEI-UHFFFAOYSA-N 484.420 2.382 30 10 JEEE C=CCNC(=O)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCC[C@H](C(N)=O)C1 1540864062 NXKJTYHHKMZZDB-KRWDZBQOSA-N 465.583 2.381 30 10 JEEE CC(C)(C)c1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCNC(=O)C2CC2)cc1 1541143337 GXATYRHGMHLNDU-HXUWFJFHSA-N 452.559 2.410 30 10 JEEE CNC(=O)[C@@H]1CN(C(=O)c2ccnn2C)CC12CCN(c1ccc(C#N)c(C(F)(F)F)c1)CC2 1548375283 GYGOTXSEQKPHPC-SFHVURJKSA-N 474.487 2.415 30 10 JEEE COCC(=O)N1C[C@@H](C(=O)N(C)C)C2(CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)C1 1548377323 YRNQPEGIISYKMI-SFHVURJKSA-N 452.477 2.357 30 10 JEEE CNS(=O)(=O)CCn1c(-c2cccc(Br)c2)nnc1N1CCC[C@@](C)(C#N)C1 1554502314 IEHKKVUDAACQCQ-SFHVURJKSA-N 467.393 2.387 30 10 JEEE C#CCN1CCN(C(=O)CN2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2ccccc2OC)CC1 1559782248 JBOIVQQHJSWAGC-OAQYLSRUSA-N 456.587 2.066 30 10 JEEE CCN(C[C@H](C)C#N)S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 1561143737 BGMYAKRCTBWCHA-KGLIPLIRSA-N 458.382 2.221 30 10 JEEE N#Cc1c(Br)cccc1S(=O)(=O)NCc1ccccc1CN1CC[C@@H](O)C1 1561461409 AHRKRGGDIQIVQF-MRXNPFEDSA-N 450.358 2.366 30 10 JEEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(CS(C)(=O)=O)cc1 1587667855 NYNWVTMSLWZGDS-INIZCTEOSA-N 471.608 2.320 30 10 JEEE C=C(Cl)C[C@H](NC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1)C(=O)OCC 1588122028 KYUXWEDCOXUWJO-DAYGRLMNSA-N 458.964 2.289 30 10 JEEE C=CC1CCN(c2nnc(Cc3c(F)cccc3F)n2CC2(O)CCS(=O)(=O)CC2)CC1 1594241461 QZKAOBQXANSSAV-UHFFFAOYSA-N 466.554 2.489 30 10 JEEE C=CCCOCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](OC)C1 1594813139 PDGMBXMRVNAKSF-ROUUACIJSA-N 451.568 2.404 30 10 JEEE CC(=O)N1CCC[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N(CCO)CCOCC(F)(F)F)C1 1596049841 DXPTVHMFEVAFIV-LJQANCHMSA-N 494.518 2.453 30 10 JEEE CCC[C@@H](Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@](F)(C#N)C1)OC 1614396675 ICCJCZVZNAEIGN-LAUBAEHRSA-N 464.567 2.452 30 10 JEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc4c(c3)CCN4C(N)=O)CC2)cc1 1630653763 AZDLKOBWKPRKHD-UHFFFAOYSA-N 453.524 2.039 30 10 JEEE C=CCNS(=O)(=O)c1cccc(C(=O)N(C)[C@@H]2CS(=O)(=O)c3ccc(Cl)cc32)c1 1631234440 PECKBUHCTVJXTR-QGZVFWFLSA-N 454.957 2.405 30 10 JEEE COC(=O)[C@H](c1cccc(C#N)c1)N1CCN(C(=O)c2ccc(OC)c(OC)c2OC)CC1 1652651873 AFFLRWPKCADNJD-FQEVSTJZSA-N 453.495 2.256 30 10 JEEE C=CCCC[C@H](C)NC(=O)N1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)CC1 1680750958 UAQNHEJUIZAUMR-KRWDZBQOSA-N 457.618 2.159 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ccc(OC)nc1OC 1689835333 KJHJRANBLWJVRG-INIZCTEOSA-N 484.582 2.114 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1CCN(C(C)=O)CC1 1689852824 LDNBUHXMDQQXKM-PXNSSMCTSA-N 474.606 2.303 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CCc1cccnc1)[C@H]1CCS(=O)(=O)C1 1689992581 MGCKTQMGHQPNHI-SFHVURJKSA-N 471.533 2.412 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(C(=O)N(C)C)CCCC2)CC1 1690140469 ZXRXBUZDNGNNQN-UHFFFAOYSA-N 487.608 2.431 30 10 JEEE C#CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(C(C)C)CC1 1690169553 GJLYQUNUMBRJDQ-UHFFFAOYSA-N 461.661 2.135 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CCOC)[C@H](CC)C1 1690235590 BHIBQOWUTHTDQO-HBMCJLEFSA-N 460.623 2.042 30 10 JEEE C=C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CC(=O)N(CCOC)C2)CC1 1690382434 OICDPVHEMDYPCT-FQEVSTJZSA-N 450.543 2.380 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)c1ncc(C)s1 1690597534 WPOZXNLRTAJDOT-RDJZCZTQSA-N 466.633 2.358 30 10 JEEE C=CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(CCOC)[C@H](CCC)C1 1690640965 XCWWHNLTYFRIOU-GOSISDBHSA-N 451.575 2.315 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC2(CCOCC2)C1 1690717861 SIYSMVBBUAHSAT-UHFFFAOYSA-N 461.544 2.461 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(CC(=O)N(C)C)CC1 1690719238 IQINAHQMKHMBPV-UHFFFAOYSA-N 481.022 2.289 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCCO[C@H](C)C1 1690719299 KFGRVOBOIRTBOP-MRXNPFEDSA-N 450.561 2.178 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@H]2COc3ccccc3O2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1691003369 GKLCZUCGNKKZDC-WOIUINJBSA-N 481.601 2.329 30 10 JEEE CC(C)(C)OC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(C)(=O)=O)CC1 1691240671 GQCXITCXJSHNTF-UHFFFAOYSA-N 474.587 2.355 30 10 JEEE CCCN(CC)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1695314372 GCHFBMMWBFYCSD-LEWJYISDSA-N 451.575 2.411 30 10 JEEE CO[C@@H]1COCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(C#N)CC1 1697697742 BZERAWXBBKVROF-AZUAARDMSA-N 459.572 2.140 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1CCN(C)CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1705571226 WYAMEYOWALWLHQ-LJQANCHMSA-N 483.560 2.298 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1CN1CCCCC1 1705583154 RNBPNQPZFCCJLK-QHCPKHFHSA-N 465.623 2.287 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccccn1 1705619381 OXVYTIONJMBZPI-QGZVFWFLSA-N 456.547 2.305 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(OCC)cc2)CC1 1705642379 RPQVCELUGHPHQD-UHFFFAOYSA-N 464.595 2.472 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(Cl)c(OC)c2)CC1 1705643577 LAIZOIJWEWZRKG-RXVVDRJESA-N 459.978 2.468 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2CC2CCN(C(=O)OC)CC2)CC1 1705645998 NBHXGQYWCZCLKT-UHFFFAOYSA-N 464.570 2.389 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2C[C@H](c2ccc(C)o2)N2CCOCC2)CC1 1705648010 NJOFTKAQOFJJNN-JOCHJYFZSA-N 482.629 2.417 30 10 JEEE C#CCSCCn1c(N2CC[C@H](S(C)(=O)=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705665617 YXYAHJAXNXXOBG-BBWFWOEESA-N 483.660 2.039 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(NC(=O)N(C)C)cc1 1705711078 ZQYMFXKXNUBISP-INIZCTEOSA-N 463.608 2.433 30 10 JEEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2ccc(F)cc2)C1 1705731621 YXNFXEBZQYJZBB-QFBILLFUSA-N 467.567 2.198 30 10 JEEE C=CC[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1)c1ccccc1 1705798681 YTPUAXKPVXXBOL-PZJWPPBQSA-N 486.642 2.231 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)Nc2ccccn2)n1CCC(=O)N(C)C 1705857165 ANHOBRKQAYIORW-UHFFFAOYSA-N 458.526 2.468 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@@H](NC(C)=O)C1 1705934300 IFTWKGORVQBIKW-QGZVFWFLSA-N 456.572 2.132 30 10 JEEE CC(C)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1706505236 BIVGIRUTWQINKK-OAQYLSRUSA-N 471.631 2.019 30 10 JEEE Cc1cc([C@@](C)(O)Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(CC(=O)N(C)C)CC2)c(C)o1 1707043399 AAUKJLVZJPKUBZ-SANMLTNESA-N 491.596 2.145 30 10 JEEE CC[C@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1708618003 HWJRADCRFPHBEL-RBUKOAKNSA-N 498.595 2.498 30 10 JEEE CCCn1nc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@](C)(O)CCOC)c2ccccc2c1=O 1709805753 GZZQVVBHRRGSEK-DNQXCXABSA-N 483.548 2.294 30 10 JEEE CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1CC1CCN(C(C)=O)CC1 1710856822 FQCOPDLZHQRASY-QGZVFWFLSA-N 472.615 2.335 30 10 JEEE COc1cc(Cl)ccc1-c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CCCN1CCCO 1711681312 CEHPQUGQESGIST-ZWKOTPCHSA-N 460.966 2.183 30 10 JEEE O=C(Cn1c(-c2ccccc2F)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1)NCC(F)(F)F 1712904336 FTOOXBGDDFORFJ-LLVKDONJSA-N 496.387 2.268 30 10 JEEE C#CCN(c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC(=O)NCC(F)F)[C@H]1CCS(=O)(=O)C1 1722358397 BEIDAINFRFZJSS-SFHVURJKSA-N 493.580 2.251 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccc(-c2n[nH]c(C)n2)cc1)[C@H]1CCS(=O)(=O)C1 1722359892 WZDZKYPFGSRPQE-IBGZPJMESA-N 467.599 2.344 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(Br)s2)n1CC1(S(C)(=O)=O)CC1 1722420196 HXACKXFIEWJKBU-UHFFFAOYSA-N 473.418 2.432 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCC(=O)NC)CC1 1722444736 NHDLAEXYENYTPA-MRXNPFEDSA-N 472.977 2.173 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2CCN2CCN(C)C(C)(C)C2)CC1 1722448986 KBBONOFNWHLHIR-UHFFFAOYSA-N 491.684 2.169 30 10 JEEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1722460639 YVRUDZGCCDNKSW-NHCUHLMSSA-N 468.627 2.235 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2OC)nnc1N1CCN(CC(=O)N(C)C)CC1 1722497305 UGSBTWSFWBTPKK-XXBNENTESA-N 468.602 2.145 30 10 JEEE C=CCCCn1c(COc2ccccc2CC)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1722620135 CVQWVIRNPRTNNR-UHFFFAOYSA-N 466.586 2.313 30 10 JEEE C=CCCCn1c(N2CCN([C@H](C)C(=O)N3CCCC3)CC2)nnc1[C@]1(OCC)CCOC1 1722623630 WNHYGUVIPAYAMX-YKSBVNFPSA-N 460.623 2.029 30 10 JEEE C=CCN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@H]1CC(=O)N(CCOC)C1 1722633930 ZFOUHIVAMXFWLW-AWEZNQCLSA-N 451.369 2.163 30 10 JEEE C=CCN(CC=C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCC(=O)N1CCOCC1 1722669527 VFWFLXSQEFJPQG-UHFFFAOYSA-N 477.569 2.102 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCN(c2cccc(F)c2F)CC1 1722729598 QNPHIPIPOWZMNU-UHFFFAOYSA-N 488.564 2.470 30 10 JEEE C=CCSCCn1c(Cc2csc(C)n2)nnc1N1CCC(NS(C)(=O)=O)CC1 1722742191 KYOWZMSEJVIEGC-UHFFFAOYSA-N 456.663 2.071 30 10 JEEE CC(=O)N1CCN(CCn2c([C@@H](C)Oc3ccccc3F)nnc2N2CC[C@@](F)(C#N)C2)CC1 1722795241 FNUVQGLZINAFFQ-UZUQRXQVSA-N 473.528 2.163 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CC[S@](=O)C(C)(C)C 1723620710 FXPKCUXDSAWSDA-ASPBEGMCSA-N 472.615 2.413 30 10 JEEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(C(C)(C)C)n1CC1(S(C)(=O)=O)CCCC1 1726641269 CLNPCLHXULBAFY-QGZVFWFLSA-N 486.646 2.310 30 10 JEEE COC(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCOc2ncccc2F)C1 1729777077 AGJBDUFYNJAGHV-QGZVFWFLSA-N 466.473 2.341 30 10 JEEE COC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)c2ccco2)CC1)OC 1730467100 FDJMTGNLTATYNU-IBGZPJMESA-N 450.499 2.034 30 10 JEEE COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2CCN(C(C)=O)CC2)C[C@@H](C)O1 1730608663 DXDIMDKUKMCPAD-WZONZLPQSA-N 482.585 2.227 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1cccc(S(=O)(=O)NC)c1 1740537287 SVSVOMYLRMOIBM-CYBMUJFWSA-N 477.388 2.450 30 10 JEEE C#CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC(C(=O)NCCOC)CC1 1740588738 FKOWTMOONXLHAA-UHFFFAOYSA-N 491.596 2.067 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1CCOCc1ccccc1)[C@H]1CCS(=O)(=O)C1 1740622025 SHAPPCXFANOUGT-NRFANRHFSA-N 451.552 2.184 30 10 JEEE C#CCN(c1nnc(CCOc2ccccc2)n1CCN1CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1740625998 UUVKMHOMURNYJS-RTWAWAEBSA-N 471.627 2.011 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1ccccc1COC)[C@@H]1CCS(=O)(=O)C1 1740626891 WUKALCSWOLSRSV-JOCHJYFZSA-N 465.579 2.085 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CCN1CCCCCC1)[C@@H]1CCS(=O)(=O)C1 1740627349 GONRGAFREZSMFW-OAQYLSRUSA-N 489.617 2.499 30 10 JEEE C#CCN(c1nnc(COCC)n1CCc1nc2c(s1)CCCC2)[C@@H]1CCS(=O)(=O)C1 1740628141 NYEQMKXGCSEUMO-MRXNPFEDSA-N 463.629 2.019 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(OCC(N)=O)CC1 1740752952 CYEXTIQXPHNQGK-UTKZUKDTSA-N 470.530 2.305 30 10 JEEE C=C(C)Cn1c(Cc2csc(C)n2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1740784504 WARPBZSOIWBVEC-UHFFFAOYSA-N 479.657 2.486 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N(C)Cc1cc(OC)ccc1Br 1740960645 WYDVWBJKWGRKSA-AWEZNQCLSA-N 464.364 2.492 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(c2ccc(F)c(OC)c2)CC1 1740990623 XRZWPTLAGKCRRZ-UHFFFAOYSA-N 486.573 2.415 30 10 JEEE CC(C)C[C@@H](Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCO[C@H](C#N)C1)N(C)C 1741423823 ACWPYCMBIFBKME-LOSJGSFVSA-N 494.688 2.348 30 10 JEEE Cc1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N(C)Cc2ccc(C#N)cc2)c(=O)n1C 1742221625 CMBWCXXMZVQJLK-UHFFFAOYSA-N 468.521 2.489 30 10 JEEE Cc1nn(C)c(C)c1CN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCS(=O)(=O)C1 1742653338 GIPRQGSXJXZTMO-IBGZPJMESA-N 483.598 2.150 30 10 JEEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1nc(C)c(C)s1)[C@@H]1CCS(=O)(=O)C1 1748804314 FQRTUXOVAIQXNV-XMSQKQJNSA-N 493.655 2.067 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCC1CCN(CC)CC1)[C@H]1CCS(=O)(=O)C1 1748816311 YTXCIRIFEBKOMG-NRFANRHFSA-N 470.643 2.397 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2CC[C@H](C(F)F)N2CCOCC2)CC1 1748993382 WSZLZSQBXVLFNS-OAQYLSRUSA-N 476.547 2.119 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@]2(C)CN(C)C2=O)CC1 1748999500 YOWJRQQGNGCSPJ-QFIPXVFZSA-N 477.396 2.397 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1749141938 NFQUVQIWJUPQFX-AANPDWTMSA-N 461.607 2.288 30 10 JEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(N3CCCCC3)nc2)CC1 1749286877 UFFVSTXDGLFPNL-GOSISDBHSA-N 459.620 2.478 30 10 JEEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 1749412195 KUYKNFFRAHIBMF-QGZVFWFLSA-N 462.624 2.095 30 10 JEEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1749415943 WOUOHHOJPKFXIJ-XMMPIXPASA-N 488.658 2.463 30 10 JEEE C=CCN(CC=C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H]1CCS(=O)(=O)C1 1749572780 CCBUHPOBXMBBSS-QGZVFWFLSA-N 468.583 2.288 30 10 JEEE C=CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1749633514 DMDQLXCJENLJEM-QGZVFWFLSA-N 459.620 2.413 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCN(CC2CCOCC2)CC1 1749678150 XPVWEAUQEWWVRR-UHFFFAOYSA-N 482.629 2.325 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccnc(C(F)(F)F)c2)C1 1749711722 BLSHAPRQRZHPJF-CVEARBPZSA-N 471.505 2.424 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 1749736616 MJIPDRYAXSAJRA-SFHVURJKSA-N 490.630 2.216 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCN1CCCO[C@@H](C)C1 1760112017 ZAZCPIDEOUHWOS-MOPGFXCFSA-N 463.586 2.151 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OCC)CCOC3)n2CC2([S@@](C)=O)CCC2)c1 1760124837 BMXPXMJYEGIPPM-XKWLHOGNSA-N 499.637 2.288 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2CC2(O)CC(OCC)C2)c1 1760125989 ORRFDDKZZJJXNB-UHFFFAOYSA-N 460.538 2.326 30 10 JEEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC(=O)NCCc1ccccc1 1760178926 GLGNUNUBQBRGTO-BGYRXZFFSA-N 466.586 2.477 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCN(C)C1CCCC1)[C@@H]1CCS(=O)(=O)C1 1760185518 YRBJEASKKIBOIN-JOCHJYFZSA-N 466.611 2.318 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(OCC=C)cc1)[C@H]1CCS(=O)(=O)C1 1760192397 UGPFMELCKOFKGH-QFIPXVFZSA-N 494.621 2.380 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1CC[S@](=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1760193071 SHUHLYDCSCGUMR-IQVDJAOASA-N 496.630 2.170 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1760193449 ZUCYQYISBWIQLJ-UAFMIMERSA-N 464.632 2.393 30 10 JEEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1760286021 YXAQOVJAOKUZLJ-UXHICEINSA-N 450.568 2.343 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCCCC2)C(=O)C1 1760406589 HUXQOKXRJRSWDK-QGZVFWFLSA-N 466.652 2.472 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)CCc1nccs1 1760553066 KNIAXDMZJWDWFY-UHFFFAOYSA-N 475.596 2.453 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 1760557228 DYFCSZPBDRDTFO-LAUBAEHRSA-N 471.583 2.333 30 10 JEEE CC(C)(C)C(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1760717707 HMZQJTXWTBWBDR-NRFANRHFSA-N 495.628 2.050 30 10 JEEE Cc1nn(C)c(N2CCN(c3nnc(CC4CCCC4)n3CCNC(=O)C(C)C)CC2)c1C#N 1762402698 GWPZAVJIAHURIB-UHFFFAOYSA-N 467.622 2.023 30 10 JEEE CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(Cn2cccn2)CC1 1766261960 BSCRPKXLNDYABS-UHFFFAOYSA-N 462.558 2.368 30 10 JEEE CCN1CCN([C@@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(CNC(C)=O)CC2)CC1 1767099754 HKLRUHZNSDQSCU-FQEVSTJZSA-N 478.645 2.195 30 10 JEEE CN(C)C(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1768444848 GXGJVPFEDDEEIE-UHFFFAOYSA-N 477.491 2.190 30 10 JEEE COc1ccc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2CCCNC=O)cc1O 1862755472 ZZDKJCJAICCHBJ-IBGZPJMESA-N 455.423 2.023 30 10 JEEE N#Cc1nnn(Cc2ccc(Cl)cc2)c1NC(=O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1870110619 AAVBDGPDTZMFMK-UHFFFAOYSA-N 479.840 2.384 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)COc2nonc2CC(=O)N2CCCCCC2)nc1C 1872637400 WZHJZRWXDJXKCB-UHFFFAOYSA-N 463.516 2.140 30 10 JEEE O=c1c(Br)c(N/N=C/c2ccc(O)c(Cl)c2)cnn1[C@@H]1CCS(=O)(=O)C1 1873526874 AYCRFWFMOCGFFA-KNSSQWPOSA-N 461.725 2.170 30 10 JEEE C#CCOC1CCN(C(=O)C[C@@H]2Cn3c(nc4c(cnn4-c4cccc(C)c4)c3=O)S2)CC1 1891726625 SVISKLADGYLFMC-LJQANCHMSA-N 463.563 2.396 30 10 JEEE COC1CCN(C2CN(C(=O)[C@@H]3SCC(=O)N(C(C)C)[C@@H]3c3ccc(C#N)cc3)C2)CC1 1892046554 RMSGPCIPAPYRIP-DHIUTWEWSA-N 456.612 2.273 30 10 JEEE CSCC[C@H](NS(=O)(=O)C=Cc1ccccc1)C(=O)ON1C(=O)c2ccccc2C1=O 2059571287 XAWDCNUWNSREHO-SFHVURJKSA-N 460.533 2.453 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)NC1(CO)CCN(C(=O)OC(C)(C)C)CC1 2069744537 QSDMSIWRGLLPML-INIZCTEOSA-N 454.568 2.452 30 10 JEEE C=CCN(CCC(=O)N1C[C@@H]2CN(C(=O)OC(C)(C)C)[C@H](CO)[C@H]2C1)C(=O)OC(C)(C)C 2220102099 HQTRAOPAXXRXIO-FGTMMUONSA-N 453.580 2.486 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCN(C(=O)OCc2ccccc2)C1 2255614308 ITSJVKSPFLTPGW-GOSISDBHSA-N 468.363 2.343 30 10 JEEE CC1(C)OB(c2cc(C(=O)NC3CC4(C3)C[C@@H]4NC(=O)OCc3ccccc3)[nH]n2)OC1(C)C 2255829900 XCXIRQGJPSLSPT-YBBVMAFNSA-N 466.347 2.286 30 10 JEEE CC1(C)OB(c2cc(F)cc(F)c2S(=O)(=O)N(CCN)Cc2ccccc2)OC1(C)C 2255952027 NUONJWWTFNLKQV-UHFFFAOYSA-N 452.332 2.414 30 10 JEEE Cc1cc(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)sc1B1OC(C)(C)C(C)(C)O1 2267235268 HZTLJTJLOFFMAB-CABCVRRESA-N 466.409 2.313 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1COCCN(C(=O)OC(C)(C)C)C1 2267528462 FEEJOHYTRFSTNO-CQSZACIVSA-N 467.397 2.116 30 10 JEEE CC1(C)OB(c2csc(S(=O)(=O)NC[C@H]3CCCCN3C(=O)C(F)(F)F)c2)OC1(C)C 2267716841 UAMFMCJJFSGWPA-CYBMUJFWSA-N 482.355 2.269 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@]12COCCN(C(=O)[C@@H]1C[C@H]1B1OC(C)(C)C(C)(C)O1)C2 2281928311 LKRBRPJHUIKZMT-QZMQVMSPSA-N 466.384 2.334 30 10 JEEE Cn1nc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC(C)(C)C2)cc1B1OC(C)(C)C(C)(C)O1 2281963207 JAIOZRKKPCDTJK-UHFFFAOYSA-N 462.400 2.438 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H](NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)C[C@@]2(C)C1 2281977828 UWXRXUXCWINSOX-AQKDONEWSA-N 460.384 2.474 30 10 JEEE Cc1nn(C)c(C(=O)N2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)c1B1OC(C)(C)C(C)(C)O1 2281983076 RHGJGKLGXZSYQJ-HZPDHXFCSA-N 460.384 2.109 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@@H]([S@](C)(=O)=NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2281983157 SIISQINVHDDPBH-GSLRCMBYSA-N 482.412 2.346 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1 2281999498 FMUWFLXZQNNYEY-HSZRJFAPSA-N 462.400 2.405 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C2(CNC(=O)C3(B4OC(C)(C)C(C)(C)O4)CC3)COC2)CC1 2282042266 BNRMIEXEUZXJMR-UHFFFAOYSA-N 465.400 2.051 30 10 JEEE Cn1cc(C(=O)N2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@]3(C)C2)nc1B1OC(C)(C)C(C)(C)O1 2282062687 BUAVAKKEARTXAV-IQMFZBJNSA-N 460.384 2.048 30 10 JEEE Cc1c(C(=O)N2C[C@H]3CC[C@H]2[C@@H]3NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282595142 PKTJSEYIJMCPKL-HLLBOEOZSA-N 460.384 2.155 30 10 JEEE C[C@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(O)cc2O)C[C@@H]1NC(=O)OC(C)(C)C 2282991380 FKPWBURVNJUHLT-BBRMVZONSA-N 462.352 2.382 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](NC(=O)c3nccnc3B3OC(C)(C)C(C)(C)O3)CC[C@H]2C1 2283062090 RCHKEQKXRDKJQX-XHSDSOJGSA-N 458.368 2.151 30 10 JEEE COC(=O)[C@@H](CC(=O)Nc1nc(B2OC(C)(C)C(C)(C)O2)ccc1Cl)NC(=O)OC(C)(C)C 2283929300 JPPNNBORCSSKCR-CYBMUJFWSA-N 483.758 2.429 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@@](O)(CC(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)C1 2283976408 CRYHXEIYMUUVAI-HSZRJFAPSA-N 461.368 2.471 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCc2ccc(B3OC(C)(C)C(C)(C)O3)cc21)C1COC1 2284018739 WKBQLDVECHXEAI-LJQANCHMSA-N 458.364 2.415 30 10 JEEE CC(C)(C)OC(=O)NCC1(C(=O)N2CCc3cccc(B4OC(C)(C)C(C)(C)O4)c32)COC1 2284031974 CTPPEQHJRCUQFO-UHFFFAOYSA-N 458.364 2.416 30 10 JEEE CC(C)(C)OC(=O)N1CC2(CC[C@H](C(=O)Nc3ccc(B4OC(C)(C)C(C)(C)O4)cn3)O2)C1 2284051883 BEMVURHOCOBSPM-MRXNPFEDSA-N 459.352 2.488 30 10 JEEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)C(=O)C1(NC(=O)OC(C)(C)C)CC(O)C1 2284059136 RIHYZFUYKXQAJA-UHFFFAOYSA-N 460.380 2.362 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N1CCOC[C@H](NC(=O)OC(C)(C)C)C1 2285215502 VNCJTIJCVCHHAI-QGZVFWFLSA-N 461.368 2.055 30 10 JEEE COC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)(C)C)C2)n1N=Cc1ccc(OC)c(O)c1 2327879823 LKYUYFULYKQHQI-AWEZNQCLSA-N 461.544 2.254 30 10 JEEE COc1cc(C=Nn2c(CNC(C)=O)nnc2SCCO)ccc1OCc1ccccc1 2330794511 GOWDHESPEGZKJG-UHFFFAOYSA-N 455.540 2.468 30 10 JEEE COCC[C@H](CN=c1ccc(B2OC(C)(C)C(C)(C)O2)c(OC)[nH]1)NC(=O)OC(C)(C)C 2339787403 ZREPRHWUJBZUOP-OAHLLOKOSA-N 451.373 2.153 30 10 JEEE CC(C)(C)OC(=O)N1CC(CO)(C(=O)N2CCc3scc(B4OC(C)(C)C(C)(C)O4)c3C2)C1 2361633317 TYJCLLBKNITYJC-UHFFFAOYSA-N 478.420 2.161 30 10 JEEE COc1ccc(N2CCN(C(=O)c3cccc(/N=C4\N[C@H]5CS(=O)(=O)C[C@H]5S4)c3)CC2)cc1 9860386 OEVZNZBTROSDML-LEWJYISDSA-N 486.619 2.147 30 10 JEEE Cn1c(O)nc(=O)c2c1nc(NN=C/C=C\c1ccccc1)n2C[C@H](O)COc1ccccc1 254862371 ROSYVEXWZIQEIQ-FYBJUNQESA-N 460.494 2.387 30 10 JEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2occc2CS(=O)(=O)c2ccccc2)CC1 494569835 LFHLRNUXEPBMLS-UHFFFAOYSA-N 499.570 2.272 30 10 JEEE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 704295647 RHNRDZABAIQXIX-UHFFFAOYSA-N 499.398 2.445 30 10 JEEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CCSc1ccccc1 729669617 ADXTVONHUVPTMO-UHFFFAOYSA-N 487.610 2.131 30 10 JEEE CNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CCc1ccc(Cl)cc1Cl 729672221 CLNMOTIMLYIBQQ-UHFFFAOYSA-N 498.395 2.356 30 10 JEEE CCOc1ccc(C=NNc2nnc(SCC(=O)NCc3ccc(OC)cc3)n2N)cc1 1083967935 XJMSKBVVNLQVDE-UHFFFAOYSA-N 455.544 2.254 30 10 JEEE COC(=O)c1ccc(C=NNc2nc(SCC(=O)NCc3cc(OC)cc(OC)c3)n[nH]2)cc1 1084188339 SLFXMNQLFIUZEW-UHFFFAOYSA-N 484.538 2.463 30 10 JEEE CCc1nnc(NC(=O)CSc2n[nH]c(NN=Cc3cc(OC)c(O)cc3[N+](=O)[O-])n2)s1 1084289706 BSBGQGPTMHCZLC-UHFFFAOYSA-N 479.504 2.018 30 10 JEEE C#CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1286340248 WFARFEYVRAENJC-DEOSSOPVSA-N 466.542 2.190 30 10 JEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2nccnc2C)CC1 1286356080 KCCNHNMBFAZBGI-UHFFFAOYSA-N 450.572 2.108 30 10 JEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1286356247 MOTVRHPILIJOBJ-QFIPXVFZSA-N 491.621 2.032 30 10 JEEE C#CCN(c1nnc(C(C)C)n1CCCN1CCN(c2ccccc2)CC1)[C@H]1CCS(=O)(=O)C1 1286386075 UCHKSYDNACJUHV-QHCPKHFHSA-N 484.670 2.241 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H](C(C)C)N1CCOCC1 1286404299 PMMFCKZKTKNOTC-LJQANCHMSA-N 459.392 2.465 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2C[C@H]2CC(=O)N(CCOC)C2)CC1 1286471201 HMVQAUVBXZDUCS-PKTZIBPZSA-N 494.640 2.285 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCOC3)n2C[C@@H]2N(C)CCCC2(C)C)n1 1286471643 PWNPFCJPJGCAMD-IRLDBZIGSA-N 469.634 2.385 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2CCCN2C[C@H](C)O[C@H](C)C2)CC1 1286484095 HMAHDUOIEHLKQQ-OYRHEFFESA-N 470.593 2.251 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2CC[C@H](F)C2)CC1 1286487856 PYMODUVFSQMJLL-PXNSSMCTSA-N 487.601 2.453 30 10 JEEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(N2CCOCC2)CC(OCC)C1 1286719181 XEQFLGLXTDPAEW-UHFFFAOYSA-N 489.642 2.241 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1286780443 TZDUXZATCRLODP-AWEZNQCLSA-N 494.394 2.441 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(-n3ccnc3C)nc2)C1 1286797850 COGOQFAZXCHJAC-LJQANCHMSA-N 450.547 2.135 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCOc2cccc(F)c2)C1 1286810791 VTPNKYRSXQBKTD-LPHOPBHVSA-N 450.536 2.180 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN([C@H](C)c2cccc(OC)c2)CC1 1286820029 CEEGGABWPVOYLX-CTNGQTDRSA-N 489.642 2.275 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1286820167 GHOCWVOTDJRXFD-QGZVFWFLSA-N 469.608 2.178 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)c(C)c2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1286824202 XDXOHHDWBQIFLH-LEWJYISDSA-N 487.626 2.322 30 10 JEEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCCN(Cc2ccc(OC)cc2)C(=O)C1 1300382612 WYYXJUQNGLJLFW-UHFFFAOYSA-N 452.559 2.077 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1(C(=O)NCC)CCC1 1300654908 KRUSQQSOWIWCHY-UHFFFAOYSA-N 453.543 2.109 30 10 JEEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1CCC[C@@H]1OC 1300666125 UMAUYQVORSIHFI-RTWAWAEBSA-N 453.591 2.353 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2C[C@@]2(O)CCN(C)C2)CC1 1300690839 KECCSUUKPZWDQA-AREMUKBSSA-N 466.630 2.192 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2CCS(=O)(=O)C(C)(C)C)CC1 1300729420 ZEFTZCPDCNGWHT-UHFFFAOYSA-N 485.654 2.242 30 10 JEEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1300741378 VIYQXCMXTKZJBA-OAHLLOKOSA-N 482.429 2.029 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)C(F)(F)F)CC1 1301087230 YDDOABNHNVAPDI-AWEZNQCLSA-N 451.515 2.356 30 10 JEEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ncccc2F)CC1 1301174654 RZNIFBYFNHJVLH-MRXNPFEDSA-N 451.572 2.105 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1sc(C)nc1C)C1CC1 1301327766 WUKRPFMREPXECV-KRWDZBQOSA-N 466.633 2.082 30 10 JEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1301509030 ZMDZQOTWJTVAFC-UHFFFAOYSA-N 471.631 2.165 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H]2CCCCO2)nnc1N1CCN(CC(=O)NCC)CC1 1301529110 IRADEMUKVXCPJX-JOCHJYFZSA-N 468.602 2.391 30 10 JEEE CC(=O)N1CCN([C@@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3C[C@@](C)(O)C(C)C)C[C@H]2C)CC1 1301765291 MBGUNALELIHACY-GVCORALISA-N 479.629 2.213 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@H](C)N(C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1358964581 BRZKCIBELROGMS-URXFXBBRSA-N 492.649 2.411 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCOc1cccc(OC)c1 1358994438 NHLZXMSSKURZOX-IBGZPJMESA-N 456.568 2.121 30 10 JEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2cc(F)ccc2OC)CC1 1359055327 AQIVEQQKPICMDR-IBGZPJMESA-N 472.590 2.066 30 10 JEEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1359135123 SEDOABASBGHPET-UHFFFAOYSA-N 461.574 2.097 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1coc(-c2ccc(C)cc2)n1 1359240394 MZKJOCAQDZAVBV-IBGZPJMESA-N 472.571 2.245 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1359296113 XGJGMLSWYRJTBA-XMMPIXPASA-N 484.557 2.074 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(Cc3cccnc3)n2C[C@@H](N2CCOCC2)C(F)(F)F)C1 1359322835 CMNOOTBLLZAJPR-RTBURBONSA-N 466.508 2.308 30 10 JEEE C=CC[S@](=O)(=NC(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@H]1CCS(=O)(=O)C1)c1ccccc1 1456899083 WGAJFVFHWPBZBX-WEWWZAEFSA-N 452.598 2.336 30 10 JEEE CCOC(=O)c1cc2n(n1)C[C@H](C)N(C(=O)N[C@@H]1CCCN(c3ccc(C#N)cc3)C1=O)C2 1469762191 FFNCFTZACCHMLA-HNAYVOBHSA-N 450.499 2.041 30 10 JEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H](c1ccc(F)cc1F)c1nccn1C 1472277241 IAAADTYBQPNMJA-DJJJIMSYSA-N 459.478 2.143 30 10 JEEE CCCC(O)(CCC)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1500155735 CKYNCYIGPSMYTE-UHFFFAOYSA-N 460.604 2.230 30 10 JEEE COCC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1504547834 HXOCBKCVZMBNMP-UHFFFAOYSA-N 474.569 2.310 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CCNC(=O)c1ccco1)[C@@H]1CCS(=O)(=O)C1 1507626583 GKPCJKDHTRXGIZ-GOSISDBHSA-N 487.969 2.248 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1c(C)nn(Cc2ccccc2)c1C 1507710368 FTBPLNHGCWHZFU-QFIPXVFZSA-N 496.637 2.176 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCc2c(ccnc2N(C)C)C1 1507743588 GQQUOEZIJKYSAB-UHFFFAOYSA-N 462.583 2.316 30 10 JEEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 1507750335 QTNJRGGRFDGWQN-UHFFFAOYSA-N 451.556 2.402 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@](C)(O)c1cccc(Cl)c1 1507763379 BIKRMCQUTXOLFI-LPTQZCDUSA-N 466.007 2.442 30 10 JEEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1507779783 RHDCCBVBWQYNOY-QWHCGFSZSA-N 484.317 2.416 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1507843840 VXFMWFLHGWATGI-KSZLIROESA-N 460.579 2.125 30 10 JEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 1507954990 TYARVYUYKDWBTP-HZPDHXFCSA-N 481.541 2.125 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCCO1 1508003308 XVMWLNXIVZNSEH-NHCUHLMSSA-N 475.615 2.373 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1508136071 PGTCMIKFFZCZQD-IBGZPJMESA-N 492.609 2.231 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1508142685 UPZKYAJEGUEBMV-IBGZPJMESA-N 488.589 2.110 30 10 JEEE C=CCSCCn1c(CCOc2ccccc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1508163979 HFOHYIDXTTYGGR-UHFFFAOYSA-N 486.642 2.393 30 10 JEEE Cc1ccc(OCCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@@](C)(C#N)C2)cc1 1511024390 AVZDTCASCIQVLZ-REWPJTCUSA-N 488.614 2.129 30 10 JEEE CCOCc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1C[C@H](C)CN1CCOCC1 1516586018 DUCLEHMOWYSNON-LJQANCHMSA-N 471.581 2.120 30 10 JEEE CS(=O)(=O)C1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](CC(N)=O)C2)CCCC1 1519503059 FGXKJMQFMQEDCI-SFHVURJKSA-N 470.599 2.266 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1CC(=O)N1CCOCC1 1538974215 UFGHLUPMGIKOIY-CYBMUJFWSA-N 450.312 2.163 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H](OCC)C1CCCC1 1539013125 HZHMCMBJEVOQBN-IHPCNDPISA-N 467.636 2.054 30 10 JEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 1539072660 TXWGVEUFZTYTOC-RCCFBDPRSA-N 465.620 2.333 30 10 JEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(=O)c2cccc(C)c2)CC1 1539126553 YDVVIMPVRJPZSX-NRFANRHFSA-N 469.611 2.255 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccc(OCCC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1539215555 FIFNMSJDRDTOBL-HXUWFJFHSA-N 498.609 2.151 30 10 JEEE C#CCN(c1nnc(CCCc2ccccc2)n1CCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1539229636 FSKNYIBQKSGUBR-JOCHJYFZSA-N 455.628 2.176 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(C(=O)N2CCCCC2)cc1 1539231834 XOMLGDJYQUTMEN-UHFFFAOYSA-N 458.566 2.261 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCC[C@H]1CCCN1C(=O)OC(C)(C)C 1539238543 AHJZVWSHCNVAGT-RTBURBONSA-N 492.646 2.141 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCC(C(F)(F)F)CC1 1539369992 QXWVWVLZIZNXNM-OFLPRAFFSA-N 477.553 2.439 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ncnn1C(C)(C)C 1539389754 CBFJVZLRHWFYCS-SFHVURJKSA-N 450.522 2.403 30 10 JEEE C#CCN(CCOC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1COc2ccccc2O1 1539401016 PQOYMAKIXWMFCQ-CYFREDJKSA-N 456.543 2.245 30 10 JEEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2CCNC(=O)[C@H](C)CCC)CC1 1539452628 WHIZQGWNRFMUCA-GOSISDBHSA-N 458.557 2.455 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C(=O)NCCC)CC1 1539490244 ABFNKUSNORWMGS-UHFFFAOYSA-N 455.588 2.034 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](COc2ccccc2)C1 1539518032 VFRNHURMUKYTIT-OALUTQOASA-N 460.625 2.452 30 10 JEEE C=C1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC2(S(C)(=O)=O)CC2)CC1 1539847144 AKNMBFYLENYWJS-QGZVFWFLSA-N 481.619 2.320 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1540862529 CYAAUXLWYBDCRL-AEFFLSMTSA-N 458.538 2.164 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1540867105 KVRBZCHGFVKYOI-CTNGQTDRSA-N 466.586 2.387 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC(C(=O)NCc2ccc(C)cc2)CC1 1540872975 IGBJRZKLGBVWJU-UHFFFAOYSA-N 487.608 2.407 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)Cc1ccccn1 1540902639 NLNDGGJDKPRIKL-UHFFFAOYSA-N 482.614 2.084 30 10 JEEE CC(C)C(=O)NCCn1c(-c2ccccc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1541284384 BHIRVMFWKZKTLF-SFHVURJKSA-N 459.558 2.094 30 10 JEEE COCCOCC(=O)N1C[C@@H](C(=O)N(C)C)C2(CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)C1 1548376700 FYZYCJOBXZLRRN-FQEVSTJZSA-N 496.530 2.373 30 10 JEEE COCC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CC[C@H](F)C2)CC1 1555204439 DJSZJKHEMIPIBA-OALUTQOASA-N 456.522 2.162 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCn1cc([C@@H]2CCOC2)cn1 1587579589 IILZBQNCCBEZAP-AZUAARDMSA-N 497.625 2.054 30 10 JEEE C#CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@](C)(C(=O)NC)C1 1587770111 SSTDLXCGGHNCOQ-UUOWRZLLSA-N 474.606 2.352 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1csc([C@H](C)OC)n1)[C@H]1CCS(=O)(=O)C1 1588045912 TVTHMHSFSVAQGV-RDJZCZTQSA-N 472.596 2.179 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@](C)(O)c1ccco1)[C@H]1CCS(=O)(=O)C1 1588059282 LCWXOAVVGKEJNW-CYFREDJKSA-N 484.578 2.005 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(OC)c2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1588595453 UZIJLVWMBYYOOE-IFMALSPDSA-N 487.626 2.244 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](C)c2ccc(C)cc2)CC1 1588930513 YEJCCHCEAWQNKQ-KNQAVFIVSA-N 483.638 2.258 30 10 JEEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)CCc1cccs1 1593884164 DEKGTAQKZXIWJK-MRXNPFEDSA-N 460.025 2.494 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N(C)Cc1cnc(C(C)C)nc1 1595562093 NMQLFEKTORENJJ-UHFFFAOYSA-N 459.558 2.369 30 10 JEEE COc1cc(OC)cc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H]2CCCN2CCCO)c1 1619130458 CFMARNGUSMBADZ-MBSDFSHPSA-N 458.538 2.251 30 10 JEEE C=CCC[C@H](NC(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1)c1ccc(C(F)(F)F)cc1 1636925556 GLOWLYFZFNDCJA-AWEZNQCLSA-N 459.446 2.499 30 10 JEEE COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)N[C@@H](C)c3cccc(C#N)c3)CC2)c1 1638397221 DPXMXTXMAZJOBP-INIZCTEOSA-N 458.540 2.353 30 10 JEEE C#CCN(C(=O)CS[C@@H](C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O)C1CSC1 1641188467 HBMBOFYKADNMIP-INIZCTEOSA-N 458.609 2.122 30 10 JEEE C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCN(Cc2nnnn2-c2ccccc2)CC1 1644859091 UDPRZXJAGHYGEZ-IBGZPJMESA-N 451.600 2.445 30 10 JEEE CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCN(C(=O)[C@@H](C)Oc2ccc(C)cc2Cl)CC1 1661763833 CVXMFLXIYINXQA-DLBZAZTESA-N 456.996 2.286 30 10 JEEE CC(=O)N1CC[C@@H](C)c2ccc(S(=O)(=O)N3CCN(c4nccnc4C#N)C[C@H]3C)cc21 1662841054 GITSLPVSWHQZAO-HZPDHXFCSA-N 454.556 2.108 30 10 JEEE N#Cc1cc(S(=O)(=O)N2CCC(Oc3ccnc(C(N)=O)c3)CC2)ccc1C(F)(F)F 1668306259 DICFONNFSWYMFA-UHFFFAOYSA-N 454.430 2.303 30 10 JEEE C#CCN(C(=O)Nc1ccc2c(c1)N(C(=O)Cc1ccccc1)CC2)[C@@H]1CCS(=O)(=O)C1 1670250543 SQWMJMJANRDDSC-OAQYLSRUSA-N 451.548 2.473 30 10 JEEE C#CC[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)c1ccccc1 1679192270 USJOGOFNWUAGAL-HXUWFJFHSA-N 455.536 2.238 30 10 JEEE C#CCCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1689901280 HSRLDKQDFZJWQF-UHFFFAOYSA-N 478.597 2.205 30 10 JEEE C#CCN(c1nnc(CCOc2ccccc2)n1CCc1ccncc1)[C@H]1CCS(=O)(=O)C1 1689994007 PDGSRGOTJKDDSS-NRFANRHFSA-N 465.579 2.164 30 10 JEEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCc1nccnc1C 1690047662 WLJACOLHNUVFSH-UHFFFAOYSA-N 455.570 2.256 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1[C@H](C)CCN1C(=O)OC(C)(C)C 1690092645 PKQPCTPONQFENZ-RTBURBONSA-N 474.606 2.246 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1OCC[C@H]1C 1690103299 BTWWFDYOSADUOD-GUDVDZBRSA-N 463.579 2.098 30 10 JEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 1690310102 UBMJSHNWIFWYIC-RTBURBONSA-N 467.574 2.380 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 1690655432 UWQIPEXBBLRKSO-GOSISDBHSA-N 476.940 2.187 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC[C@H](Oc2ccccc2)C1 1690722173 AFEINRVVXWOBTE-IBGZPJMESA-N 454.556 2.384 30 10 JEEE C=CCSCCn1c(-c2cccn2C)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1690738810 ZIMXYFAMHOGJNY-UHFFFAOYSA-N 457.648 2.337 30 10 JEEE CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@H]1CCN(CCc2ccccc2)C1 1692521557 FJIIFXOEERYGSR-GBXCKJPGSA-N 453.566 2.423 30 10 JEEE CCCNC(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2nncn2CC)C1 1695412406 CKMKSXRPTFZVMC-IBGZPJMESA-N 477.573 2.131 30 10 JEEE COCC1(Cn2c(C(C)C)nnc2N2CCN(c3nccnc3C#N)C[C@@H]2C)CCOCC1 1697801810 GDNSIUHBAZLOPO-SFHVURJKSA-N 454.579 2.221 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1Cc1cnn(C)c1C)[C@H]1CCS(=O)(=O)C1 1705568519 OXWVMKJRPSYSSP-NRFANRHFSA-N 482.610 2.191 30 10 JEEE C#CCN(CC#CC)c1nnc(COc2ccccc2CC)n1C[C@H]1CCN(S(C)(=O)=O)C1 1705602522 YOCJHIZKHUTQPG-FQEVSTJZSA-N 469.611 2.164 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1Cc1ccc(C(N)=O)nc1 1705611278 WSZHLAXFACPCTI-UHFFFAOYSA-N 470.537 2.238 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2cccc(C)c2)CC1 1705645030 IYUWWQWONHHITB-RUZDIDTESA-N 451.571 2.253 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCc2cn[nH]c2)CC1 1705646989 VYGQCADYRMBOQM-UHFFFAOYSA-N 469.496 2.478 30 10 JEEE C=C(C)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1705725619 LHJRCLWLFQFXND-OAQYLSRUSA-N 454.575 2.357 30 10 JEEE C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1705744430 CRWYOSRNNUKOIF-UHFFFAOYSA-N 470.921 2.373 30 10 JEEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1C[C@H](C)CC(C)(C)C1 1705900764 OKBSAZFBUFAGJJ-MRXNPFEDSA-N 459.620 2.413 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2CC(=O)N(CCOC)C2)C1 1705917647 XDFCRZDAZKWKCD-RDJZCZTQSA-N 493.406 2.312 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2(C(=O)NCC)CCC2)C1 1705919647 HYAMGJHOPUBMHL-IBGZPJMESA-N 487.626 2.436 30 10 JEEE CC(C)NC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1706644547 CHDPPSDAYAHZLI-UHFFFAOYSA-N 478.645 2.336 30 10 JEEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CCc1c(F)cccc1F)[C@H]1CCS(=O)(=O)C1 1722364589 LYKDWZSDROWUIL-GAJHUEQPSA-N 494.564 2.078 30 10 JEEE C#CCN(c1nnc(COc2ccc(Cl)cc2Cl)n1CCOC)[C@@H]1CCS(=O)(=O)C1 1722371848 ZBGJXEBITVPXKS-OAHLLOKOSA-N 473.382 2.437 30 10 JEEE C#CCN(c1nnc(CN2CCCC2=O)n1CC(C)(C)c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1722372278 SUAHRXABARMQBV-FQEVSTJZSA-N 487.601 2.144 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(SC)CCOCC1 1722375897 UEOZQHZIMYEEJY-UHFFFAOYSA-N 458.609 2.334 30 10 JEEE C#CCN(CC#C)c1nnc(CCc2ccc(OC)cc2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1722385130 AMYFDOHPAHOBAX-LADGPHEKSA-N 495.649 2.349 30 10 JEEE C#CCN(CCOC)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@@H]1CCCCS1(=O)=O 1722425998 UPTYQANHJMQKCP-IBGZPJMESA-N 455.584 2.404 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2CC2(N3CCSCC3)CCCC2)n1 1722427813 OFTAZXJEPWZNEN-UHFFFAOYSA-N 457.648 2.431 30 10 JEEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](C(=O)NCCCC)C1 1722485177 QRDLZMYTXQKVHN-HUUCEWRRSA-N 453.385 2.271 30 10 JEEE C=C(C)COCCn1c(-c2cccc(Br)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1722528876 LMTCMJLFTAVUHR-KRWDZBQOSA-N 464.364 2.252 30 10 JEEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](COCc2ccccc2)C1 1722553871 ALEVEQQTNZJTKV-WOJBJXKFSA-N 496.033 2.407 30 10 JEEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CCSCC 1722555182 KAHPITOXQQEVCZ-LSDHHAIUSA-N 452.046 2.331 30 10 JEEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1722607095 MLVVZJWDCHWQGT-IBGZPJMESA-N 493.655 2.319 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(OC)CCOC1 1722654546 PRLJCOFVUAPEBL-XXBNENTESA-N 476.599 2.187 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)NCc1ccco1 1722664314 WGRCHEZUOFVMTQ-MRXNPFEDSA-N 475.596 2.344 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c(-c2cnccn2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1)C(C)C 1722664479 ALQTZTARUFZDMC-QPPBQGQZSA-N 485.658 2.449 30 10 JEEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCCN(c2nc(C)ns2)CC1 1722700081 VXZCORDGKCNFCE-UHFFFAOYSA-N 488.568 2.326 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](CN2CCC(C)CC2)C1 1722702517 LYUNYGLUJBHYHX-GIWBLDEGSA-N 474.650 2.253 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC(=O)N(C)C[C@H]1C 1722724250 RGJMOBOTYCIJLC-IEBWSBKVSA-N 475.615 2.303 30 10 JEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)c2ccccc2)CC1 1722730440 RNUHMJACQGRGTE-UHFFFAOYSA-N 485.610 2.101 30 10 JEEE CC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCN(C(C)=O)CC2)CCS1 1727832348 BLZQEQPNRRAWPC-QFIPXVFZSA-N 483.642 2.225 30 10 JEEE CN(C)CCOc1cccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@@](C)(C#N)C2)c1 1729337836 FHDQOULJDHLTBW-RDPSFJRHSA-N 486.642 2.299 30 10 JEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](CC)C1 1740580648 FIVZBDHEYWNKOC-RCCFBDPRSA-N 482.651 2.431 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1cccc(C(F)F)c1)[C@@H]1CCS(=O)(=O)C1 1740615379 CLSQARCVQLPRJT-QGZVFWFLSA-N 465.526 2.029 30 10 JEEE C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@H]1CCOc2ccccc21)[C@@H]1CCS(=O)(=O)C1 1740616756 GMGWWXNSPJZSQB-XUVXKRRUSA-N 488.610 2.195 30 10 JEEE C#CCN(c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1740618054 BJXCWEITMAJZJC-FQEVSTJZSA-N 471.627 2.394 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CCCn1cccn1)[C@H]1CCS(=O)(=O)C1 1740620512 WYGWTJGVKDYPCE-NRFANRHFSA-N 452.584 2.421 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H]1CCCCN1CCCC)[C@@H]1CCS(=O)(=O)C1 1740628799 UOILQWWHMBAVGJ-PWRODBHTSA-N 463.648 2.411 30 10 JEEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccccc1CN1CCC(O)CC1 1740632758 WPXGWKOSKFHGJV-NDEPHWFRSA-N 491.636 2.397 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCc2cccc(OCC)c2)CC1 1740690223 PYIGOKQJGJCHBU-UHFFFAOYSA-N 459.554 2.322 30 10 JEEE CC[C@@H](C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCc1ccc(S(N)(=O)=O)cc1 1743748069 BNNWWRITURIUKH-GOSISDBHSA-N 494.625 2.275 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OCCC)c(OC)c2)n1Cc1cn(C2COC2)nn1 1748658297 PMSBGMSUNFKDIU-MRXNPFEDSA-N 451.531 2.412 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2CCN(C)CC(F)(F)F)c1 1748692672 LADXNFHZNSZQFO-QGZVFWFLSA-N 464.492 2.332 30 10 JEEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1748703612 UPSWGXCWEHNADV-SFTDATJTSA-N 484.626 2.246 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1c(F)cccc1OC(F)F)[C@@H]1CCS(=O)(=O)C1 1748811431 GSDOALPKXZNVEA-OAHLLOKOSA-N 494.499 2.094 30 10 JEEE C#CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H](C)SC 1748949648 GYKCXMCAMMDWBW-HNNXBMFYSA-N 450.634 2.384 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CC2(C(N)=O)CCOCC2)CC1 1748978919 TYZMMTCWPORDKI-OAQYLSRUSA-N 480.613 2.072 30 10 JEEE C#CCN1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CCCSCC)CC1 1748986846 JIURBQOBBGWUIR-UHFFFAOYSA-N 461.661 2.137 30 10 JEEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCc2cc(Br)ccc2F)CC1 1748994419 GNOKPBQXFSRBJH-UHFFFAOYSA-N 489.393 2.300 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2CCN(C)C(=O)OC(C)(C)C)CC1 1748999173 LFMPKFKXIVTTIY-UHFFFAOYSA-N 484.601 2.488 30 10 JEEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1749044174 OKVRTUSAQSEHLO-MRXNPFEDSA-N 455.613 2.363 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1749376831 GLSSGWYFAUMLGM-PXNSSMCTSA-N 457.579 2.191 30 10 JEEE C=CCN(CC=C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@]1(O)CCO[C@H]1C 1749573568 PJVBPKAWOKTFHC-XDHUDOTRSA-N 450.543 2.393 30 10 JEEE C=CCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1749617897 YBKMXFSYDYFGAU-OAGGEKHMSA-N 495.005 2.306 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1749655057 BTNZYQFHJIALSV-SFHVURJKSA-N 484.601 2.396 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCC(Cn2cccn2)CC1 1749680868 UDFUOERMAUQPQZ-UHFFFAOYSA-N 453.522 2.412 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1749723943 DVENHDFMRQZTDP-UHFFFAOYSA-N 482.610 2.399 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCSC2(CCOCC2)C1 1749731508 FYLLWSWTYGCJSW-KRWDZBQOSA-N 456.634 2.223 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1CCN(C)C(=O)OC(C)(C)C 1751191651 GOFYYEXDYDLHEL-MRXNPFEDSA-N 491.618 2.263 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H](C)Oc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1760183456 BKZNPSHKUFBHSP-RBUKOAKNSA-N 451.552 2.434 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1Cc1ncc(CC)s1)[C@H]1CCS(=O)(=O)C1 1760191012 ZGKUQRIWHPOUHY-INIZCTEOSA-N 476.653 2.328 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@@H]1CCOC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1760191065 ADLJOKFOCBUULD-HKBOAZHASA-N 472.611 2.465 30 10 JEEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(N2CCC(CO)CC2)cc1 1760196985 URTIXIYAXPFYFP-MHZLTWQESA-N 477.609 2.260 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CC(=O)NCC2CC2)CC1 1760253839 KKGUOGSFQQVQBR-HXUWFJFHSA-N 450.587 2.316 30 10 JEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CN(Cc3ccccc3)CCCO2)CC1 1760382390 PEDMBKYORLEPFT-RBBKRZOGSA-N 488.658 2.336 30 10 JEEE C=C1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CCS(=O)(=O)NC(C)C)CC1 1760388075 DTUFXZVKXQDPQU-UHFFFAOYSA-N 485.614 2.159 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)Oc2ccc(F)cc2)CC1 1760389429 KKNXRXFHSFEGOC-FXAWDEMLSA-N 479.578 2.374 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C2CCCC2)CC1 1760517312 JFORRKVWTYAYLJ-UHFFFAOYSA-N 454.575 2.329 30 10 JEEE CCN(C)C(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1764684547 IDPQNKCHEDFJBB-UHFFFAOYSA-N 481.992 2.317 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3ccccc3n2)nnc1N1CCN(CCOC)[C@@H](C)C1 1772660484 JZUKZOSWPAHODA-IBGZPJMESA-N 484.626 2.251 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@@H]2c2ccc(OC)c(O)c2)cc1C 1862404685 VTZAHCOJGSQOCK-OAQYLSRUSA-N 454.479 2.432 30 10 JEEE COc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2CCNC(C)=O)cc1O 1862575531 YYBBRCLAMWUCNW-OAQYLSRUSA-N 470.478 2.132 30 10 JEEE CCN(CC)CCNC(=O)c1ccc(-n2nnc(C#N)c2NS(=O)(=O)c2ccccc2)cc1 1870097971 HBFIRFXMQTWIKW-UHFFFAOYSA-N 467.555 2.011 30 10 JEEE N#Cc1nnn(Cc2cccc(F)c2)c1NC(=O)CCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1870111056 VWQPDGNCBCBBKP-UHFFFAOYSA-N 477.412 2.260 30 10 JEEE CC(=O)NCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CN(CCO)Cc1ccccc1 1870349978 LDDHPLMEZIMNPQ-UHFFFAOYSA-N 474.561 2.430 30 10 JEEE C=CCn1cc(OCC(=O)Nc2cc(Cl)ccc2Cl)c(=O)cc1CN1CCN(CCO)CC1 1870728100 YETWXDBABUHHOY-UHFFFAOYSA-N 495.407 2.469 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)OCCCC)cn1CCN1C(=O)CSC1=O 1870763636 KKMPHLIXXBVOCZ-UHFFFAOYSA-N 477.583 2.440 30 10 JEEE C=CCn1cc(OCC(=O)N(CCC)CCC)c(=O)cc1CNc1ccc(S(N)(=O)=O)cc1 1870887063 QOJBXIKKIDOJOI-UHFFFAOYSA-N 476.599 2.321 30 10 JEEE C=CCN(CC=C)c1nc(=NCCCCN(CC)CC)nc(Nc2ccc(S(N)(=O)=O)cc2)[nH]1 1871509571 URSAHAMPUHGCSU-UHFFFAOYSA-N 488.662 2.397 30 10 JEEE CCCOc1c(/C=N/n2c(SCC(N)=O)nnc2[C@H]2CC(=O)N(C(C)C)C2)cccc1OC 1874337944 LUFYSCKAKZSMKV-PZLKWIMZSA-N 474.587 2.259 30 10 JEEE N#Cc1ccc(OC2CCN(C(=O)c3c4c(nn3[C@@H]3CCS(=O)(=O)C3)CCC4)CC2)cc1 1890837283 PVPQUNKDNCYTMZ-QGZVFWFLSA-N 454.552 2.287 30 10 JEEE C=C(Br)CS(=O)(=O)N1CC[C@@H](N2CCC(NC(=O)OC(C)(C)C)CC2)C1 2118137014 YYFYZUJOWTUEII-OAHLLOKOSA-N 452.415 2.288 30 10 JEEE CC(C)(C)OC(=O)NCc1cn(CC(=O)N2CC[C@H]3C[C@]3(B3OC(C)(C)C(C)(C)O3)C2)nn1 2194120293 IQMXYUJCNLGUJG-NYHFZMIOSA-N 461.372 2.388 30 10 JEEE CC(C)(C)OC(=O)N[C@H](C(=O)Nc1ccc(C#N)cc1Br)C1CS(=O)(=O)C1 2197522933 IJHOJDVOOUTJGC-AWEZNQCLSA-N 458.334 2.197 30 10 JEEE CC(C)(C)OC(=O)N1CCN(CC2CN(c3ccc(B4OC(C)(C)C(C)(C)O4)cn3)C2)CC1 2241092135 BRVZUQIZEZSQCB-UHFFFAOYSA-N 458.412 2.370 30 10 JEEE CC1(C)OB(c2cncnc2C(=O)N[C@@H]2CCCN(C(=O)OCc3ccccc3)C2)OC1(C)C 2255871805 ZEROGIXCSGTHKZ-GOSISDBHSA-N 466.347 2.307 30 10 JEEE CON(CCNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1)C(=O)OC(C)(C)C 2255949955 DXWBZCWUNVKMLR-UHFFFAOYSA-N 456.370 2.063 30 10 JEEE CC(C)[C@H](C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)[C@H](C)NC(=O)OC(C)(C)C 2256623922 ILUORQQKAFOXDS-STQMWFEESA-N 454.402 2.383 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)[C@H]1CN(C(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)CCO1 2267015581 QEKLKFZRNKUZSL-GOEBONIOSA-N 450.341 2.333 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@@](CO)(NC(=O)c2occc2B2OC(C)(C)C(C)(C)O2)C1 2267178666 FUKIGLGOGIWQJW-JOCHJYFZSA-N 450.341 2.071 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1CCN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2267363828 OYNAYFNKPCEUKE-AWEZNQCLSA-N 470.372 2.413 30 10 JEEE COC[C@H](ONC(=O)OC(C)(C)C)C(=O)N(C)Cc1cc(B2OC(C)(C)C(C)(C)O2)cs1 2268638460 JCINRRUKMUVOHN-INIZCTEOSA-N 470.397 2.477 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2268647642 PWAVBTQYMDPOLP-IGQOVBAYSA-N 464.397 2.137 30 10 JEEE C[C@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)C[C@@]1(C)CNC(=O)OC(C)(C)C 2281979373 CVFWKFQEVLSNGC-NPMXOYFQSA-N 462.400 2.342 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)C(C)(C)[C@@H]21 2281981892 JYSYVKAEZPYWCZ-KBRIMQKVSA-N 460.384 2.473 30 10 JEEE Cc1ccc(C(=O)N[C@@H](C)C2(O)CN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2282114323 YYFUBPCOSHWVGF-INIZCTEOSA-N 460.380 2.394 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O 2282125629 ZJHWPPXOWIJVAU-RTBURBONSA-N 460.380 2.394 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)CC1(F)F 2282514390 CCVAPCSBPCXIDT-AWEZNQCLSA-N 470.326 2.094 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCCO[C@H]2[C@@H]1NC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2282525914 NRTRTIANPICADW-LBRJOISOSA-N 479.408 2.243 30 10 JEEE CC(C)(C)OC(=O)N1CCCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CC(F)(F)C1 2282583809 OQBQWNJVOZHRJU-UHFFFAOYSA-N 470.326 2.427 30 10 JEEE CC(C)(C)OC(=O)NCC1(CO)CCN(C(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)CC1 2282628518 OKZIRNFMXKVFCT-UHFFFAOYSA-N 481.424 2.182 30 10 JEEE COC[C@]1(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)CCCN1C(=O)OC(C)(C)C 2282644244 BSCVKYAMALUCJS-HSZRJFAPSA-N 463.384 2.460 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2OCCN(C(=O)c3cccc(B4OC(C)(C)C(C)(C)O4)c3)[C@H]2C1 2282664687 GRUSKWNMIVUXFC-OALUTQOASA-N 458.364 2.446 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CC[C@H](C)[C@H](NC(=O)C(F)(F)F)C1 2282690003 PAXNUFDFPLXKMX-DZGCQCFKSA-N 457.302 2.336 30 10 JEEE CC(C)(C)OC(=O)N1CCCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(O)cc2O)CC1 2282914321 YMUVQZAKQGTSNL-UHFFFAOYSA-N 462.352 2.480 30 10 JEEE CCN(C(=O)OC(C)(C)C)[C@@H]1COC[C@@H]1C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2283961987 GOTSNBDBNABQQZ-LSDHHAIUSA-N 481.424 2.331 30 10 JEEE CC(C)(C)OC(=O)N1[C@H](C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)C[C@@H]2OCC[C@H]21 2283966137 UAPMLLAWELLZFU-PMPSAXMXSA-N 479.408 2.225 30 10 JEEE CC(C)(C)OC(=O)N1CC(n2cc(C(=O)Nc3ncc(B4OC(C)(C)C(C)(C)O4)s3)nn2)C1 2283979965 UXJKTKNSEBQUFP-UHFFFAOYSA-N 476.368 2.078 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2C[C@]2(CNC(=O)OC(C)(C)C)C1 2288262099 DYSYFILMJHLBON-CMJOXMDJSA-N 460.384 2.015 30 10 JEEE Cc1nn(C)c(C)c1C(O)=C1C(=O)C(=O)N(CCCN2CCOCC2)[C@H]1c1ccccc1F 2296611978 DGFHVRHQTPNOCV-NRFANRHFSA-N 456.518 2.320 30 10 JEEE C#CCOC(=O)NS(=O)(=O)c1ccc(CNC(=O)C=Cc2cc(OC)ccc2OC)cc1 2330276043 DDDXRHGVEOSXOO-UHFFFAOYSA-N 458.492 2.082 30 10 JEEE CCCN(CCC)C(=O)CSc1nnc(CNC(C)=O)n1N=Cc1ccc(O)c([N+](=O)[O-])c1 2330777989 BCRJNROCUYLLNJ-UHFFFAOYSA-N 477.547 2.151 30 10 JEEE CC(C)(C)OC(=O)N1CCCO[C@H](CN=c2cc(B3OC(C)(C)C(C)(C)O3)c(F)c[nH]2)C1 2345724090 HIZDEIFJCXSOLT-OAHLLOKOSA-N 451.348 2.380 30 10 JEEE CC(C)(C)OC(=O)N[C@]1(C)CN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)CC1(F)F 2361915864 KVXFHVYJADGCFZ-HXUWFJFHSA-N 468.310 2.150 30 10 JEEE Cn1cnc(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 2362351830 KHLHUPREESQUOF-JYJNAYRXSA-N 460.384 2.095 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@H]2C[C@@H](NC(=O)c3sncc3B3OC(C)(C)C(C)(C)O3)C[C@H]21 2368864275 IREVXSJQJXOYER-NUEKZKHPSA-N 479.408 2.339 30 10 JEEE C=CCc1cc(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)cc(OC)c1OC 10025675 RCWBWARYFWPVBU-UHFFFAOYSA-N 466.581 2.445 30 10 JEEE COc1ccc(/C=N/Nc2nnc(SCC(=O)Nc3ccccc3[N+](=O)[O-])n2N)cc1OC 20292756 QTRUFGVMLJWXGR-UFFVCSGVSA-N 472.487 2.094 30 10 JEEE CC(C)n1cc(/C=N/Nc2nnc(SCCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2N)cn1 20921323 YZQOJQPPZHEJEG-AWQFTUOYSA-N 458.508 2.244 30 10 JEEE CN(C)S(=O)(=O)c1ccc2c3c(cccc13)C(=O)N(OS(=O)(=O)c1ccccc1)C2=O 48524115 AFNBVDWISXIBDT-UHFFFAOYSA-N 460.489 2.007 30 10 JEEE C=CCOCC1CCN(C(=O)c2ccc(S(=O)(=O)N3CCN(C(=O)OCC)CC3)cc2)CC1 49445399 ATOKEJAAHSYUJM-UHFFFAOYSA-N 479.599 2.204 30 10 JEEE Cc1ccc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(CCCN3CCOCC3)c2=O)s1 254756727 CZIKHGNHORZISX-UHFFFAOYSA-N 459.637 2.120 30 10 JEEE CCN(CC)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)NCc3ccc(C#N)cc3F)CC2=O)cc1 609228956 NWXPNCWCMSKOAO-SFHVURJKSA-N 472.542 2.397 30 10 JEEE COCCOc1ccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(Cc3ccccc3)c2=O)cc1 609333595 RDFHZBSXTWFWBE-UHFFFAOYSA-N 491.613 2.259 30 10 JEEE COc1ccccc1C(=O)N[C@H](CCSC)C(=O)N1CCN(c2cnccc2C#N)CC1 1160050640 DRXRYPVNAXMBEH-LJQANCHMSA-N 453.568 2.162 30 10 JEEE C=CCn1c(SC[C@@H](O)C(C)C)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 1188291805 MAQOMHVMGROOPL-GOSISDBHSA-N 452.602 2.261 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@](C)(O)c1ccco1)[C@@H]1CCS(=O)(=O)C1 1286381239 FRSLMEQGWOOYRO-JPYJTQIMSA-N 470.551 2.081 30 10 JEEE C#CCN(c1nnc(-c2ccccc2)n1C[C@H]1CCN(CC(F)(F)F)C1)[C@H]1CCS(=O)(=O)C1 1286386874 IVOCCCLDSZENJA-HKUYNNGSSA-N 481.544 2.456 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1CCCn1nc(C)cc1C)[C@@H]1CCS(=O)(=O)C1 1286392916 ICVNWDUQRYPXID-JOCHJYFZSA-N 496.637 2.408 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1Cc1nnc(CC)s1)[C@H]1CCS(=O)(=O)C1 1286395735 MYFNRGDHXSRMDC-HNNXBMFYSA-N 490.586 2.085 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCCN1CCOC1=O 1286419308 RNLCWCRYFSWSFJ-UHFFFAOYSA-N 468.945 2.167 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1c(F)cccc1F)N(C)C 1286448406 ULYVAEPHRRHVOD-QAPCUYQASA-N 451.543 2.221 30 10 JEEE C#CCN1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CCCCOCC)CC1 1286479136 KJENOVJDRZMEGW-UHFFFAOYSA-N 463.586 2.247 30 10 JEEE C#CCN1CCN(c2nnc(CC3CCCC3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)CC1 1286483335 HDPJPQLOQWQPRP-OAQYLSRUSA-N 452.578 2.249 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@](C)(O)CCC)CC1 1286489032 CJFZBKQIWKEVMS-VWLOTQADSA-N 469.586 2.479 30 10 JEEE C#CCSCCn1c(Cc2ccc(F)cc2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1286506680 ZLPISZSCPGWZBA-XXBNENTESA-N 484.645 2.363 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C)(COC)CC1 1286554169 GXHBSTMOMDFHIT-QYZOEREBSA-N 452.621 2.414 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1286778890 BLXQJBHQBNLTGE-XLIONFOSSA-N 490.555 2.396 30 10 JEEE C=CCNC(=O)Cn1c(N2CCO[C@](C)(c3ccccc3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1286793996 RUWVBBPKAWLYMX-LOSJGSFVSA-N 469.586 2.373 30 10 JEEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 1286824100 UBGFEGWDXJEJBY-UHFFFAOYSA-N 460.579 2.323 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CCC(=O)NC(C)C 1292116920 HBHYBNXWRZVTRB-UHFFFAOYSA-N 498.607 2.449 30 10 JEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](CC)[C@H]2CN(Cc3ccccc3)CCO2)cc1 1294531420 YMALSVNGYYXZRZ-DHIUTWEWSA-N 455.580 2.008 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CCN(C)[C@H](C)CC)c1 1300332270 BCCDOLHNZSRXTA-YLJYHZDGSA-N 451.575 2.016 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCOC[C@@H]1OC 1300658194 YTHZZBHUALQHPV-YOEHRIQHSA-N 452.353 2.173 30 10 JEEE C#CCSCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@](C)(C(N)=O)C1 1300760484 CGJZWUOWXMAWFH-QHCPKHFHSA-N 476.647 2.461 30 10 JEEE C=C(C)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1300964251 SJLWKUMWDVXWNA-UHFFFAOYSA-N 466.586 2.321 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(O)(C(F)(F)F)CC1 1301137633 UDBWUCXCVTYCDA-CYBMUJFWSA-N 453.531 2.384 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1301481325 KBDJOFPNSKJJDA-HKARXFIJSA-N 459.522 2.244 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CCC(CC(N)=O)CC1 1301485588 YTHQPPGGPMSZKV-UHFFFAOYSA-N 491.390 2.110 30 10 JEEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1301508976 XVCLOWCBJSANDF-UHFFFAOYSA-N 486.642 2.132 30 10 JEEE COCCN(CCC#N)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@]1(O)CCO[C@H]1C 1301806300 BTAGBUDVYUFYHP-FDDCHVKYSA-N 451.531 2.037 30 10 JEEE CC(C)(O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1302359848 HMCLXZWQYJDXDF-NRFANRHFSA-N 468.602 2.438 30 10 JEEE C=CCOc1cccnc1C(=O)N1CC[C@@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 1302896659 ABYQFBQSARLSAX-NUJGCVRESA-N 458.515 2.301 30 10 JEEE CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@](F)(C#N)C1)Oc1ccccc1F 1305804556 HWWXWIABLLUEAU-SXGZJXTBSA-N 468.530 2.327 30 10 JEEE CCNC(=O)C1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@](F)(C#N)C2)CCC1 1313979436 FPAZVCPVDCMNQQ-QHCPKHFHSA-N 451.506 2.477 30 10 JEEE CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)c2ncc(C)s2)CCO1 1315015510 IEOFXYBXCDDOAA-BEFAXECRSA-N 481.582 2.249 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCN(CCC)C1)[C@@H]1CCS(=O)(=O)C1 1358958234 JXFUAQUQBODOFY-GHTZIAJQSA-N 486.598 2.212 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCCCN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1358964394 YKRDKUIOEBHGQI-RTWAWAEBSA-N 463.648 2.065 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2Cc2ncn(C)n2)CC1 1359042573 LSEDWGMDHJGDPE-UHFFFAOYSA-N 473.368 2.395 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2Cc2ncnn2C(C)(C)C)CC1 1359047959 ZSUGMYAFJOQJLS-UHFFFAOYSA-N 494.575 2.357 30 10 JEEE C=CCC(C)(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@](C)(C(N)=O)C1 1359184333 LLPPABKXQJASJH-QHCPKHFHSA-N 474.631 2.499 30 10 JEEE C=CCC(C)(C)Cn1c(-c2ccc(Br)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1359184710 XQQGOLOWWASHJH-KRWDZBQOSA-N 487.402 2.457 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1359291768 BJEJNRWLUZJCHC-OYHNWAKOSA-N 458.950 2.233 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N(C)Cc1ccccc1N1CCOCC1 1359299994 QXNLDBLMDREHBH-OAQYLSRUSA-N 454.575 2.295 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1359306589 LFBWCDARJDLXIO-WIYYLYMNSA-N 498.588 2.129 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCCN(c2nc(C)ns2)CC1 1359333446 YKKWBMRKIOMJIV-UHFFFAOYSA-N 467.665 2.344 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCCN1C[C@H](C)C[C@@H](C)C1 1493265065 HDAVMSZNIQWODB-NHCUHLMSSA-N 493.660 2.378 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3csc(C)n3)n2CC(=O)NC(C)C)c1 1507551255 BTEUVZQWDOKUCO-UHFFFAOYSA-N 465.583 2.215 30 10 JEEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCc1cnc2c(Cl)cnn2c1 1507606803 XSEOMBBDURYMOG-UHFFFAOYSA-N 469.958 2.357 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCc1ccncc1)[C@@H]1CCS(=O)(=O)C1 1507621476 AWXFELFRAODEOD-JOCHJYFZSA-N 492.605 2.412 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H](C)Oc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1507630600 CYBZLAJSGXSWPV-MSOLQXFVSA-N 469.567 2.376 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CCc1ccc(OC)c(F)c1)[C@H]1CCS(=O)(=O)C1 1507635448 SIRPXMUFLMAWJC-FQEVSTJZSA-N 483.569 2.281 30 10 JEEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1CC(C)(C)COCC)[C@H]1CCS(=O)(=O)C1 1507635920 WGYIAYBIPYTYDR-FQEVSTJZSA-N 484.626 2.206 30 10 JEEE C#CCN1CCN(c2nnc(C(C)(C)C)n2Cc2ccccc2CN2CCC(O)CC2)CC1 1507716402 QIJXISKVXQRWCH-UHFFFAOYSA-N 450.631 2.336 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(COCC(F)(F)F)cc2)CC1 1507716636 SKSMVYIBBJHLQQ-UHFFFAOYSA-N 478.519 2.299 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@H](C)N(CC)CC)CC1 1507729615 IZGBMOYSNMDVHS-RTWAWAEBSA-N 489.665 2.072 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H](C)N(C)C2CC2)CC1 1507734921 CXMXCAIRUXXMBI-GOSISDBHSA-N 480.613 2.411 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2c(F)cc(F)cc2C1 1507831627 BSNITBKWIVVXOV-SFHVURJKSA-N 453.515 2.028 30 10 JEEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)Nc2cccc(C)c2C)CC1 1507831851 GSINSKVTRCOLQY-HXUWFJFHSA-N 486.642 2.134 30 10 JEEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1507847157 HBZVTEJMXIZDPO-UHFFFAOYSA-N 467.622 2.178 30 10 JEEE C=CCCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1507925532 DXWMSCBSHUBTJH-UHFFFAOYSA-N 468.558 2.203 30 10 JEEE C=CCN(c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1([S@@](C)=O)CC1)C1CC1 1507989369 ZLTYQNIJEIIICP-SSEXGKCCSA-N 463.629 2.261 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1508135819 MNGAUBQXDPIXLK-SFHVURJKSA-N 493.033 2.337 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1508136422 GHDXXNZZXJPJRK-JPYJTQIMSA-N 476.599 2.329 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1508136829 VTEGALOCFUUDBW-ROUUACIJSA-N 477.631 2.482 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2CC)nnc1N1CCC2(CC1)COC(=O)N2 1508149157 OPNKQKFXBXIKJW-UHFFFAOYSA-N 489.598 2.099 30 10 JEEE CS[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1519807110 CGMBOMNMBCCWOV-SJLPKXTDSA-N 478.644 2.246 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1538974160 SLQQRPRPYFHTRK-CRAIPNDOSA-N 476.423 2.436 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC(=O)NCC(F)F 1539002266 BSFCAMLERUYJNS-AWEZNQCLSA-N 457.485 2.075 30 10 JEEE C#CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CCCN(CC)S(C)(=O)=O 1539162500 UBLSWMHJKMSZKE-UHFFFAOYSA-N 484.420 2.457 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@](O)(c1ccccc1)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1539216188 OVTSAPJAEVFZQV-DYESRHJHSA-N 493.511 2.350 30 10 JEEE C#CCN(c1nnc(COCC)n1C[C@H]1SCCc2ccccc21)[C@@H]1CCS(=O)(=O)C1 1539230201 CYESURDRHUCGPQ-UYAOXDASSA-N 460.625 2.472 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCOC2)n1CCS(=O)(=O)NC(C)C 1539392967 YBEORZKDJYZBQO-IBGZPJMESA-N 463.579 2.279 30 10 JEEE C#CCN(CCOC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1COc2ccccc2O1 1539401017 PQOYMAKIXWMFCQ-DVECYGJZSA-N 456.543 2.245 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCN1CCSCC1 1539409256 UHAQSLXWEBGDGC-UHFFFAOYSA-N 495.653 2.371 30 10 JEEE C#CCSCCn1c(N2CCC(C(=O)N3CCCC3)CC2)nnc1[C@]1(OCC)CCOC1 1539530572 IYTKXRMLQNZMFD-QHCPKHFHSA-N 461.632 2.135 30 10 JEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(CS(=O)(=O)NC(C)C)cc1 1539682684 PJAFAPZVKQNWAR-IBGZPJMESA-N 451.589 2.437 30 10 JEEE C=C(C)COCCn1c(-c2cc(Br)cn2C)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1539730692 RZRYGQRBHKTUER-OAHLLOKOSA-N 472.409 2.262 30 10 JEEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1539742941 PHKVYDSOMVNKOU-UHFFFAOYSA-N 453.469 2.223 30 10 JEEE C=CCCCCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1539973737 CFHRLYSBTATTQS-RBBKRZOGSA-N 471.650 2.136 30 10 JEEE C=CCN(Cc1cccs1)c1nnc(Cc2ccncc2)n1CC1(O)CCS(=O)(=O)CC1 1540146789 JMOINJIOSSFFNI-UHFFFAOYSA-N 473.624 2.458 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 1540902786 QGESFEZLUFKJIM-ROUUACIJSA-N 497.980 2.200 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCN(C)C(C)C 1545918110 GSPWOHGDZCVUPJ-UHFFFAOYSA-N 467.622 2.130 30 10 JEEE CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1547259153 CSAPVFLHHFIRLI-LJQANCHMSA-N 478.557 2.406 30 10 JEEE CCN(CC)C(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(OC)CCOC2)CC1 1547417441 CHSBTCINSROFEB-XMMPIXPASA-N 467.574 2.206 30 10 JEEE COC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)CN2CCOCC2)CC1 1554527263 FSOYYPNCTMKMJR-GOSISDBHSA-N 452.559 2.174 30 10 JEEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)C(C)(C)C)C[C@@H](C)O1 1555404786 IAWNUALCSZFWRW-XLIONFOSSA-N 491.614 2.182 30 10 JEEE C#C[C@@H](NC(=O)N1CCN(c2nccn3cnnc23)[C@H](C)C1)c1ccc(Br)cc1 1565000124 TVCYUCRTNAEXJI-RHSMWYFYSA-N 454.332 2.481 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccc(N(CC)CC)cc1)[C@H]1CCS(=O)(=O)C1 1588054987 QWNZVFWBHXTGRO-UNMCSNQZSA-N 471.627 2.303 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CCOC)CC1 1588908282 MZZUOCMWHIVHKC-UHFFFAOYSA-N 455.559 2.353 30 10 JEEE C=C(Br)Cn1c(-c2ccccc2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1589357766 HKVYTCANBGSNMV-GOSISDBHSA-N 496.431 2.485 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1589484097 RBALMAKLWJWLJN-LNLFQRSKSA-N 462.595 2.455 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N(C)CCN1CCOCC1 1589568531 KHCGSFGECFHSEU-RXVVDRJESA-N 474.631 2.019 30 10 JEEE C=CCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1594788232 HTUFKDLGILGCEU-LJQANCHMSA-N 473.599 2.142 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1595517323 XJNUJSPXQBQFKB-QGZVFWFLSA-N 468.558 2.107 30 10 JEEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1595529917 MMYJRJSOFXQIFZ-GOSISDBHSA-N 463.586 2.432 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCOc1ccc(F)c(Cl)c1 1596788696 BPZKLBJWJOOSCJ-CHWSQXEVSA-N 458.947 2.356 30 10 JEEE CN(C)[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](C#N)C1)c1ccccc1Cl 1617642974 CBACLMOSBZGQRB-QFBILLFUSA-N 457.966 2.086 30 10 JEEE COC(=O)C1(C#N)CCN(C(=O)c2cccc(S(=O)(=O)Nc3ccccc3OC)c2)CC1 1635342460 FTWZNMYJGIWJNT-UHFFFAOYSA-N 457.508 2.415 30 10 JEEE C#C[C@@H](NC(=O)c1c(OC)ccc(S(N)(=O)=O)c1OC)c1ccc(Br)cc1 1637663075 MGXHCWOXPVSAAR-CYBMUJFWSA-N 453.314 2.218 30 10 JEEE C#Cc1cccc(NC(=O)CNC(=O)Nc2cnc(N3CCOCC3)c(Br)c2)c1 1670688801 CXAWCHGJGNGAHZ-UHFFFAOYSA-N 458.316 2.422 30 10 JEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 1690052601 MGTDNNVLABQYLG-PCCBWWKXSA-N 480.613 2.366 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCc2cccc(OC)c2)CC1 1690137286 SNLIYFSFGRGAOO-UHFFFAOYSA-N 487.564 2.143 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CCc2cccc(C(=O)N(C)C)c2)CC1 1690150859 YADITUZUYWMNAF-UHFFFAOYSA-N 499.619 2.174 30 10 JEEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1690451294 CMCHVJPSILYCIM-CTNGQTDRSA-N 480.617 2.271 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCC(=O)N2)n1CC1(O)CCN(C(C)C)CC1 1690607326 KHJMMEYNXLTWQE-FQEVSTJZSA-N 456.591 2.293 30 10 JEEE CC(C)CC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(c3ccc(C#N)cn3)CC2)CC1 1692057454 ADAWJZWGWIHWSP-SFHVURJKSA-N 486.646 2.308 30 10 JEEE Cc1ccc(CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(CC#N)CC2)cc1 1693077567 BYFPLIKAGLAWSQ-OAQYLSRUSA-N 472.615 2.292 30 10 JEEE CCCNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1695429555 CFVNLANENPRJKL-HXUWFJFHSA-N 497.600 2.463 30 10 JEEE COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCn2cc(Br)cn2)CCO1 1697888296 CPKZLOHDAMHEFL-GOSISDBHSA-N 472.347 2.328 30 10 JEEE C#CCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1705537122 VJNYSOUVSQCPQG-XMMPIXPASA-N 498.697 2.460 30 10 JEEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CCc1ccc(S(C)(=O)=O)cc1 1705590082 BCJBRCMYZMQHKS-VWLOTQADSA-N 484.622 2.428 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ncnn1C(C)(C)C 1705597593 KYUPRNKCDGNQID-IBGZPJMESA-N 496.616 2.444 30 10 JEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1705830348 NJHDGMWNBFMTFX-RBUKOAKNSA-N 451.637 2.084 30 10 JEEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC(C(=O)N2CCCC2)CC1 1705907561 QHKTXCWRXVKXQE-UHFFFAOYSA-N 480.613 2.213 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1705930093 FBDJZYSCIAEVAG-WBAXXEDZSA-N 480.518 2.272 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](CC)c2ccccc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1705930321 KUNWLCKQTIGXSL-CVDCTZTESA-N 457.600 2.280 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)Nc3ccccn3)n2CCN(C)C(C)C)c1 1722305102 CUOYZTAQXZMLOE-UHFFFAOYSA-N 474.569 2.322 30 10 JEEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1722306603 LTGXEPMFPJIEEL-FQEVSTJZSA-N 451.575 2.278 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1CCN(C)[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1722362774 OQJJIJVZMFGWQD-QUCCMNQESA-N 487.626 2.073 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@H]1N(C)CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1722363989 DHQDEBIFCYSZFZ-NHCUHLMSSA-N 470.643 2.011 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1CC(=O)N(C)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1722364943 JPMSXHLVLCBQJQ-HXUWFJFHSA-N 489.667 2.348 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC(C)(C)N1CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1722368587 SEDNPVVZCQRHPX-HBMCJLEFSA-N 477.675 2.309 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@@H]1CCCN1CC)[C@@H]1CCS(=O)(=O)C1 1722371780 LNCYJSKSTSDYFI-LEWJYISDSA-N 471.627 2.277 30 10 JEEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1Cc1cccc(OCC(=O)N(C)C)c1 1722401413 WWAUEJDAJQANCK-UHFFFAOYSA-N 473.581 2.118 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1722501907 HALNAHIMTMIVRE-RXVVDRJESA-N 473.622 2.012 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(C)C)CC1 1722506261 DSCKTGIBEVKUBT-HKBOAZHASA-N 481.663 2.465 30 10 JEEE C=CCCOCCn1c(Cc2ccc(F)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1722630099 VNMNQWJOVFPUJV-IBGZPJMESA-N 456.522 2.073 30 10 JEEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@H](c2nccs2)C1 1722683248 IIJTXFIKIFJOBU-QGZVFWFLSA-N 460.585 2.416 30 10 JEEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 1722737602 LZNFRUUJNOJVBI-UHFFFAOYSA-N 466.615 2.359 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N(C)C(=O)OCC)CC1 1722751180 QNYGQWFKBRSRDS-UHFFFAOYSA-N 486.598 2.475 30 10 JEEE CC(=O)N1CCN([C@H]2CN(c3nnc(COc4ccc(C#N)cc4)n3CCOC(C)C)C[C@@H]2C)CC1 1722798548 LRHXOBDZNBLSCB-RDPSFJRHSA-N 495.628 2.143 30 10 JEEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCS(C)(=O)=O 1723778311 GACBVUNAXKCFMO-CVEARBPZSA-N 454.597 2.176 30 10 JEEE CCN1CCN([C@@H](C)Cn2c(-c3ccc(OC(C)C)c(OC)c3)nnc2N2CCO[C@@H](C#N)C2)CC1 1728600942 ANAMXRJRJTTXKP-UNMCSNQZSA-N 497.644 2.496 30 10 JEEE CNC(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2nccn2C(F)F)C1 1729666421 HETBRUAQKUGMCE-INIZCTEOSA-N 470.484 2.331 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CCc1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 1740624019 CGKFUSQFRMSABX-NRFANRHFSA-N 465.579 2.142 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCc1nccnc1C 1740653041 XGOFZMSSFPYHEM-UHFFFAOYSA-N 462.583 2.042 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CC12CCOCC2 1740664351 NBHGZSSPPQDOJC-LJQANCHMSA-N 457.600 2.472 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C)n2C[C@@H]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)CC1 1740702915 BATXFDNEECCQRF-SLFFLAALSA-N 456.591 2.055 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCCOC[C@@H]2CCCO2)CC1 1740706646 YXGQJRGMLGKHQN-LEWJYISDSA-N 459.591 2.071 30 10 JEEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1ccccc1 1740717693 YWFPHXXISSNUIA-PMACEKPBSA-N 475.640 2.319 30 10 JEEE C#CCSCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1740721607 OABKLQIGXHDAGW-IBGZPJMESA-N 494.625 2.372 30 10 JEEE C=C(C)COCCn1c([C@H](CC)c2ccccc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1740788859 YLZKTAAYNGIUOY-JOCHJYFZSA-N 480.613 2.340 30 10 JEEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1740842837 NHZZWKGBYIMZSV-UHFFFAOYSA-N 466.652 2.415 30 10 JEEE C=CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@]1(O)CCSC1 1740940993 ZDQMKBYTDZIFRY-HSZRJFAPSA-N 470.599 2.182 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCO[C@@](C)(c2ccccc2)C1 1740989916 BVFHKEUAHGCMQJ-JOCHJYFZSA-N 454.556 2.088 30 10 JEEE C#CCCCCn1c(-c2cccc(OC)c2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1748703378 OMNBSQWPFOXUBL-JOCHJYFZSA-N 487.626 2.388 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H]2CCOC[C@H]2C)CC1 1748972402 HZMYDAKAFLVXHO-QUCCMNQESA-N 471.005 2.289 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCCSC)CC1 1748989875 RAMSQRQREDWWEC-GOSISDBHSA-N 464.636 2.095 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H]1CCO[C@@H](C)C1 1749158309 GRWBYBFVTWXCCH-FHWLQOOXSA-N 455.625 2.219 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 1749228566 BJWNYYDNXNMCQP-RBUKOAKNSA-N 481.663 2.152 30 10 JEEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2csc(CC)n2)CC1 1749268807 HMLYIBQQXMFNNW-HNNXBMFYSA-N 471.052 2.274 30 10 JEEE C=CCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1749447309 BKRHDBAQIYBYBI-XMMPIXPASA-N 463.542 2.224 30 10 JEEE C=CCN(CCOC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H]1CCC(=O)N1 1749599683 ISSCDXUYTZXMFS-GOSISDBHSA-N 462.595 2.310 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CC(C)(C)CN2CCCC2)c1 1760128603 NHANNOBAWFXJCB-OAQYLSRUSA-N 477.613 2.407 30 10 JEEE C#CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)[C@H](C)CS(=O)(=O)CC 1760146390 KXXGFGOVNKUXHW-MRXNPFEDSA-N 480.660 2.219 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCO[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1760181046 OWYWWAZTPXVFTO-UXLLHSPISA-N 496.431 2.478 30 10 JEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1Cc1conc1COC)[C@@H]1CCS(=O)(=O)C1 1760185675 BBQOWGGAFKXTFC-LJQANCHMSA-N 489.985 2.332 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@]1(O)CCc2ccccc21)[C@@H]1CCS(=O)(=O)C1 1760185730 CCSAYPKCQRMVPD-NTKDMRAZSA-N 456.612 2.327 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H](OC)c1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 1760189140 OAZRUKPJSVTXCU-AZUAARDMSA-N 486.985 2.403 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@H]1CC=CCO1)[C@@H]1CCS(=O)(=O)C1 1760192704 WXPAXRUMECDLLW-TZIWHRDSSA-N 456.568 2.137 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(=O)NCCC 1760249905 UZHBGZIITIRCKT-GOSISDBHSA-N 462.595 2.005 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)Oc2ccc(F)cc2)CC1 1760265039 LTTXBKSUMPAXSC-SFHVURJKSA-N 482.560 2.087 30 10 JEEE C#CCSCCn1c(COc2ccccc2OC)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1760285660 MZGDBQAGUJHWMV-QFIPXVFZSA-N 457.556 2.263 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1760317259 CVJAZASJJNREJB-VGUOSERISA-N 471.514 2.195 30 10 JEEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](C(=O)NC)C1 1760373839 CNRCPSDVOUYFFN-HOTGVXAUSA-N 468.986 2.301 30 10 JEEE C=CCC(C)(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1760408685 QTAMQZBNBZVCQH-SFHVURJKSA-N 456.576 2.146 30 10 JEEE C=CCNC(=O)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCCN(C(=O)C(C)C)CC1 1760525712 OFFUSQQJBYCMEB-UHFFFAOYSA-N 463.586 2.347 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(c2ncc(F)cn2)CC1 1760526803 UBVMNIWTBPIAQS-UHFFFAOYSA-N 480.548 2.032 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCS[C@H](CC)C1 1760556896 SUMKDSNJKYQUMS-GOSISDBHSA-N 460.629 2.449 30 10 JEEE CN(CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CCC#N)CC1CC1)C(=O)OC(C)(C)C 1768922963 IFDWMMHSDDUWCQ-QGZVFWFLSA-N 466.608 2.177 30 10 JEEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCO[C@H]2C(C)C)CCO1 1769239781 BRLARFCNYGPFRX-ACRUOGEOSA-N 452.559 2.219 30 10 JEEE CC(=O)N[C@H](C)CNC(=O)Nc1ncccc1OCC(=O)Nc1sc2c(c1C#N)CCC2 1858789380 ZGOJBGAXGFNLRC-GFCCVEGCSA-N 456.528 2.167 30 10 JEEE N#C[C@@H](c1cccs1)N1CCC(C(=O)N[C@H](CO)C(=O)Nc2ccc3c[nH]nc3c2)CC1 1866866780 KQFQXMLOWXTQFP-MOPGFXCFSA-N 452.540 2.017 30 10 JEEE C[C@H](O)Cn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CN1CCN(c2ccccn2)CC1 1870349633 VUXNFLZTLXEWSJ-FQEVSTJZSA-N 459.550 2.397 30 10 JEEE C=CCN(CC=C)c1nc(=NCCN2C(=O)CSC2=O)[nH]c(=Nc2cccc(C)c2C)[nH]1 1871592621 ZFNZBVXHTIVMKP-UHFFFAOYSA-N 453.572 2.362 30 10 JEEE CC(C)N1C(=O)CS[C@H](C(=O)NCc2cccnc2N2CCOCC2)[C@@H]1c1ccc(C#N)cc1 1889390451 WYHLBSSUQFOHAE-GOTSBHOMSA-N 479.606 2.500 30 10 JEEE Cc1cncnc1N1CCN(C(=O)[C@H]2SCC(=O)N(C(C)C)[C@H]2c2ccc(C#N)cc2)CC1 1889546941 FDPIAUWENJRRMP-VXKWHMMOSA-N 464.595 2.399 30 10 JEEE COc1ccc(F)cc1S(=O)(=O)N1CCC(OCC#CCN2CCN(C(C)C)CC2)CC1 1889703529 NXBJYOMMORTLQB-UHFFFAOYSA-N 467.607 2.033 30 10 JEEE N#Cc1nccnc1O[C@@H]1CCCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccc(Cl)c2)C1 1892008812 QXTVYFXFFUOBSD-VQIMIIECSA-N 475.958 2.225 30 10 JEEE N#Cc1nc(-c2cccs2)oc1N1CCC(C(=O)N2CC[C@@H](C(=O)N3CCOCC3)C2)CC1 1892020236 DSZIALSEBCQDIV-QGZVFWFLSA-N 469.567 2.198 30 10 JEEE C[C@H](NS(=O)(=O)CCN1C(=O)c2ccccc2C1=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2013660670 UPTQYEWEYPZYNH-AWEZNQCLSA-N 490.412 2.324 30 10 JEEE CS[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2086010552 GZXXDSBTJSYJOO-GXTWGEPZSA-N 452.386 2.359 30 10 JEEE CC(C)(C)OC(=O)N1CCC(C(=O)O)(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)CC1 2120491322 KKZKNMWEHSPIEE-LJQANCHMSA-N 456.543 2.325 30 10 JEEE C[C@@H](O)CN(Cc1ccccc1)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2247902335 UXHFAUTYULYACN-OAHLLOKOSA-N 452.407 2.155 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2CCO[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)C1 2255196239 BHQCHJOTSUGZSP-LPNSBIIDSA-N 451.564 2.434 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CC[S@@](=O)(=NC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)C1 2255642376 FBPSYPBAVDZRGS-VEWZGRNOSA-N 471.410 2.348 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](O)CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2255703520 TZPLXSUTKOPAQZ-UONOGXRCSA-N 452.382 2.147 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]1NS(=O)(=O)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2255801163 ZHIZYCXYGRJYQN-IRXDYDNUSA-N 452.382 2.071 30 10 JEEE COC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2267176314 YPGJDCREGTXZBN-CQSZACIVSA-N 467.397 2.150 30 10 JEEE C[C@H](CCN(C)C(=O)OC(C)(C)C)N(C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2267499143 ZUOPXXFEKPROBC-OAHLLOKOSA-N 450.389 2.437 30 10 JEEE CC(C)(C)OC(=O)N1CC(N(C(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)[C@@H]2CCOC2)C1 2281825999 XVNKRIPJTLXGSP-MRXNPFEDSA-N 462.352 2.429 30 10 JEEE C[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)N(C(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)C1 2281960983 HFROEPIPMYIXGD-JKSUJKDBSA-N 462.400 2.485 30 10 JEEE CC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1c(C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282005056 NORJRXIZMVOHJR-MRXNPFEDSA-N 462.400 2.499 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2282017068 GDSIQHSHQGYBOA-OSYLJGHBSA-N 458.368 2.436 30 10 JEEE Cn1cc(C(=O)N2CC3(CCC[C@@H]3NC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2282034537 JKIGPEABLRRQKZ-INIZCTEOSA-N 460.384 2.239 30 10 JEEE 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)cnn1C 2282044818 WMAFXQUKEYCJDF-PMPSAXMXSA-N 460.384 2.047 30 10 JEEE CC(C)(C)OC(=O)N1CCC(CO)(NC(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)CC1 2282056842 YCBBRXCPQMSIAY-UHFFFAOYSA-N 460.380 2.478 30 10 JEEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@H]21 2282175028 ISVWDVQSPZSZOL-WJFTUGDTSA-N 452.364 2.228 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)[C@@H]2COC[C@@H]21 2282186305 SGHHPDOBQGBMFJ-MOPGFXCFSA-N 458.364 2.446 30 10 JEEE 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)cnn1C 2282534830 XMHCBQHYPFUTLJ-WBVHZDCISA-N 462.400 2.437 30 10 JEEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1N(C)C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282550193 VUEZBCMHTQAAEN-NVXWUHKLSA-N 462.400 2.437 30 10 JEEE Cn1nc(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)c1Cl 2282550646 BOILBHANAQXVEN-CHWSQXEVSA-N 486.781 2.450 30 10 JEEE Cc1ccnc(C(=O)N2CC[C@H](NC(=O)C(F)(F)F)C[C@@H]2C)c1B1OC(C)(C)C(C)(C)O1 2282567641 QPVQYFBUAHOCGW-KBPBESRZSA-N 455.286 2.361 30 10 JEEE Cn1cc(C(=O)NC[C@@]23CC[C@H]2CN(Cc2ccccc2)C3)c(B2OC(C)(C)C(C)(C)O2)n1 2282585911 RIRWDXXJJPLHDD-UQBPGWFLSA-N 450.392 2.361 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)[C@]2(CCOC2)C1 2282617199 IKPIZNRQJCFXQK-RCDICMHDSA-N 479.408 2.341 30 10 JEEE CC(C)(C)OC(=O)NCC1(CO)CCN(C(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)CC1 2282624802 ZFCSZUNRQZCHAV-UHFFFAOYSA-N 464.368 2.318 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)s3)C[C@@H]2[C@H]1CO 2282668804 KRSFAFROVKXEEH-HRCADAONSA-N 478.420 2.347 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@H]1CCN1C(=O)OC(C)(C)C 2282870774 XLDPRCAQYIFNSU-MRXNPFEDSA-N 482.408 2.282 30 10 JEEE CC(C)(C)OC(=O)NCc1cn(CCNC(=O)c2ccsc2B2OC(C)(C)C(C)(C)O2)nn1 2287193758 RFSRFIUETLNUDD-UHFFFAOYSA-N 477.396 2.094 30 10 JEEE COc1ccc(N2C[C@@H](c3nnc(SCCO)n3N=Cc3ccc(O)c(O)c3)CC2=O)cc1 2325882465 ZMFPIOIRKCPCGQ-HNNXBMFYSA-N 469.523 2.185 30 10 JEEE COc1cc(C=Nn2c(CNC(C)=O)nnc2SCCO)cc(Br)c1OC(C)C 2330794585 UBAKFHKJOZVFIC-UHFFFAOYSA-N 486.392 2.439 30 10 JEEE Cc1scc(C(=O)NC[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2343495375 XILKOCPIFSNZCG-JOCHJYFZSA-N 466.409 2.457 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H]3C[C@@H]3[C@@H]2CNC(=O)OC(C)(C)C)n1C 2362332418 NEPTXZGJNLNDPP-JYJNAYRXSA-N 460.384 2.013 30 10 JEEE COc1ccc(NC(=O)[C@H]2C[C@@H](O)CN2C(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2365287275 WYJZLPSDZIJEQN-NVXWUHKLSA-N 462.352 2.303 30 10 JEEE Nn1c(N/N=C/c2cc(Br)ccc2O)nnc1SCC(=O)Nc1nccs1 21319398 ZSWKCKQZMXWSCN-NGYBGAFCSA-N 469.350 2.093 30 10 JEEE Cn1cc(S(=O)(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cc1C(=O)N1CCCC1 33275161 BZJBLGZTXAIQCR-UHFFFAOYSA-N 469.567 2.172 30 10 JEEE Cn1c(=O)oc2cc(S(=O)(=O)/N=C3\C=C(SCC(=O)O)C(=O)c4ccccc43)ccc21 95811806 SXBMHNDXJFBFIJ-KGENOOAVSA-N 458.473 2.208 30 10 JEEE C=CCN1C(=O)/C(=N\NC(=S)Nc2ccccc2C)c2cc(S(=O)(=O)N3CCOCC3)ccc21 100527254 YYSLOERUPJIPTG-DAFNUICNSA-N 499.618 2.239 30 10 JEEE O=C1C(=O)N(CCN2CCOCC2)[C@H](c2cccs2)/C1=C(\O)c1ccc2c(c1)OCCO2 135645611 WQUYADVEEXECIR-YDJIHCHBSA-N 456.520 2.273 30 10 JEEE COc1cc(Cn2cnc(I)c2I)ccc1C(N)=NO 312800287 GYRLEQDIGZETAW-UHFFFAOYSA-N 498.062 2.244 30 10 JEEE C=CCc1cc([N+](=O)[O-])ccc1OCC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 513582863 CHKDANGRWSVKAR-UHFFFAOYSA-N 491.522 2.370 30 10 JEEE CCOc1ccc(OCC)c(-n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3ccccc3)c2=O)c1 608883471 BFROXUMCMLGNPV-UHFFFAOYSA-N 475.570 2.478 30 10 JEEE COc1ccc(C=NNc2nc(SCCC(=O)Nc3ccc(S(N)(=O)=O)cc3)n[nH]2)cc1 1084171900 BIGQELVQUTVWOY-UHFFFAOYSA-N 475.556 2.028 30 10 JEEE COC(=O)c1ccc2c(c1)CN(C(=O)C1CCN(S(=O)(=O)c3ccc(C#N)cc3)CC1)C2 1125902653 GCFJFTGCWMTBGW-UHFFFAOYSA-N 453.520 2.288 30 10 JEEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1c[nH]c(C(=O)N2CCCC2)c1 1138054552 CBWFZVTWTICSPJ-QGZVFWFLSA-N 457.556 2.487 30 10 JEEE C[C@@H]1CN(c2ccc(CNS(=O)(=O)c3cc(Br)cc(C#N)c3)cn2)CCO1 1185372913 BVKKRECPJVZHDP-CYBMUJFWSA-N 451.346 2.419 30 10 JEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(=O)CC2CCCC2)CC1 1286314270 MSIJXTJDDNCZIU-IBGZPJMESA-N 478.663 2.311 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Br)n1C[C@@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1286386643 FDLJWKKAXKJBBZ-YWZLYKJASA-N 481.416 2.495 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(OCC(F)(F)F)c1 1286419924 ICVRIUKZWFRPTO-INIZCTEOSA-N 483.516 2.341 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCN2CCC[C@H](C)C2)CC1 1286486689 AKFQLSLSGWZEOA-LVXARBLLSA-N 486.661 2.016 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2(OCC)CCCC2)CC1 1286487587 WTLUBNFZMKWIKD-UHFFFAOYSA-N 479.585 2.241 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H](C)c2nccs2)CC1 1286492062 FOIGDPAYWPMTLN-MRXNPFEDSA-N 497.650 2.496 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CCN2CCCC[C@@H]2CC)CC1 1286493143 FFLOJZNZYGKWOT-QHCPKHFHSA-N 463.630 2.494 30 10 JEEE C#CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@H](COC)C1 1286496445 RKIRSSPLDTYKBR-SFHVURJKSA-N 463.991 2.080 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](Nc2ccccc2)C1 1286592409 CZBGLTHGDXMVJF-WOJBJXKFSA-N 460.604 2.268 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)Oc2cccc(OC)c2)CC1 1286646606 TWGUBTFXBGZSFS-NQIIRXRSSA-N 491.614 2.244 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCOC2=O)cc1 1286757464 OTWOLKWUVFXGML-GOSISDBHSA-N 457.556 2.364 30 10 JEEE C=CCn1c(-c2cc(OC)ccc2Br)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1286770742 VJJTVRAXWOYSEP-ZDUSSCGKSA-N 470.393 2.372 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCNC(=O)C(C)C)C1 1286809572 JQTAEAMAUAEJHZ-FQEVSTJZSA-N 468.606 2.006 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2CCN2CCOC(C)(C)C2)c1 1300332573 JHAZDRBYXHTVBX-UHFFFAOYSA-N 475.597 2.451 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1CC1(C)COC1)[C@H]1CCS(=O)(=O)C1 1300482028 CWPDDZLANXUDBX-IRXDYDNUSA-N 462.547 2.220 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1CCCCNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1300486824 BUZRIVFUHFFHNO-GOSISDBHSA-N 488.614 2.272 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)N1CCc2ccccc2C1 1300649036 JWMJOUNVMSPDLP-HXUWFJFHSA-N 450.587 2.047 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCC(C(=O)NCCCOC)CC1 1300879758 FQDHTNOQTTVRRL-CTNGQTDRSA-N 469.590 2.085 30 10 JEEE C=CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)COc2ccc(F)cc2)CC1 1301467181 NGNBDKKUGZFUDO-UHFFFAOYSA-N 453.522 2.192 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CC(=O)N(C)[C@H](C)C2)nnc1C1(c2ccccc2)CCC1 1301593960 YYXILHDKSUQRRJ-GOSISDBHSA-N 457.600 2.016 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2cnccn2)n1CCN1CCSCC1 1301773625 FZGMNSNJFOUFNL-UHFFFAOYSA-N 464.599 2.309 30 10 JEEE N#Cc1ccc(N2CCN(CC(=O)N3CCN([C@@H](C#N)c4cccs4)CC3)CC2)c(F)c1 1307448931 FKKFPMFHPYIZAV-NRFANRHFSA-N 452.559 2.290 30 10 JEEE CCOC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCOCC2)C1 1314029187 BZNNJVYVXFBQCP-NRFANRHFSA-N 467.574 2.254 30 10 JEEE COC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1)OC 1315792939 HFFDFLDXLXJPRX-SFTDATJTSA-N 452.559 2.221 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2Cc2csc(COC)n2)c1 1358902167 GNXJTXQCBXJDKV-UHFFFAOYSA-N 476.566 2.386 30 10 JEEE C#CCN(c1nnc([C@@H](C)CC)n1CC1(N2CCCC2)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1358957212 REXZBIPOCBSXOE-VQTJNVASSA-N 463.648 2.063 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1CCN1CCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1358967893 VDKMBWZHUCYKEJ-RTBURBONSA-N 475.590 2.107 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCCCS1(=O)=O 1358986665 CSKMLBLUOQZLTD-MRXNPFEDSA-N 464.389 2.466 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2noc3c2COCC3)n1CCS(=O)(=O)CC 1359016731 LBVYDSUWPMJXGE-UHFFFAOYSA-N 473.530 2.219 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCCN(CC)CC)CC1 1359036203 QDJSLSOMCAPKMD-OAQYLSRUSA-N 489.665 2.074 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](CC)c2ccccc2)CC1 1359040848 HWOOZWAJQRLKNA-OALUTQOASA-N 486.642 2.048 30 10 JEEE C#CCSCCn1c([C@@H](C)OCCOC)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1359049197 KFDALOTYCRQUNG-QGZVFWFLSA-N 466.677 2.372 30 10 JEEE C#CCSCCn1c(-c2cccc(Cl)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1359050148 HYIZQXJNZPFTTR-HNNXBMFYSA-N 454.021 2.435 30 10 JEEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC(C)C)C1CCCC1 1359057456 ZOHROYMOLXTSRR-LJQANCHMSA-N 469.677 2.382 30 10 JEEE C#CCSCCn1c(Cc2ccsc2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1359059219 FRLDSBMCUMOYFR-GOSISDBHSA-N 458.613 2.063 30 10 JEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(Cn2cc(C)cn2)CC1 1359227534 DKJYFGDKNWIDDP-HXUWFJFHSA-N 462.620 2.194 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCC[C@@H]1C 1359258729 ADXOARJREVPORQ-RBBKRZOGSA-N 488.658 2.288 30 10 JEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(CN2CCOCC2)CC1 1359287436 DDNCQNLYYFENCO-FQEVSTJZSA-N 476.622 2.321 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 1359297540 TZFXCSOHOCSYAA-IRLDBZIGSA-N 493.656 2.373 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)c2ccc(C)cc2)CC1 1359298723 KAJZCPVBUZYLED-UHFFFAOYSA-N 459.554 2.222 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@](C)(O)c2ccccc2Cl)C1 1359313499 NKBFHGFSBUCFDN-MRUHUIDDSA-N 484.022 2.231 30 10 JEEE CC(=O)N1CCN([C@@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCN(C)C(C)C)C[C@@H]2C)CC1 1359399175 LLTHAYHKHSQFIZ-GBXCKJPGSA-N 478.645 2.146 30 10 JEEE COc1ccccc1SCc1nnc(N2CCC(C#N)CC2)n1CC(=O)N1CCOCC1 1504445540 DKFWBSIQPSSPIE-UHFFFAOYSA-N 456.572 2.178 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1507549388 ZTVCTSUHXWXQRY-VFSLUADLSA-N 454.575 2.128 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2C[C@](C)(O)CCC)c1 1507551177 BQFYTBYWTBFALI-XMMPIXPASA-N 452.559 2.008 30 10 JEEE C#CCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1507580235 XBKYYMGNGAWYQM-UHFFFAOYSA-N 459.572 2.385 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccnc(OC(F)F)c1)[C@H]1CCS(=O)(=O)C1 1507623020 OCXBQNYBYZUEIK-HNNXBMFYSA-N 453.515 2.247 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2CC2CN(C(=O)OC(C)(C)C)C2)CC1 1507732811 SYMOMFUSGRQNAC-UHFFFAOYSA-N 496.612 2.488 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2CC2(S(C)(=O)=O)CCCC2)CC1 1507740344 QPRCZQDGOSBUKU-UHFFFAOYSA-N 489.667 2.254 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@](C)(C(=O)NC)C1 1507743682 IOWMSKPLDRBFHA-QHCPKHFHSA-N 454.600 2.476 30 10 JEEE C=C(C)COCCn1c([C@H](C)CC)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1507835969 SCBKTRMGLAITIZ-GOSISDBHSA-N 460.623 2.325 30 10 JEEE C=C1CCN(c2nnc(-c3nn(CCC)c(=O)c4ccccc34)n2CCS(C)(=O)=O)CC1 1507882250 DRQHCDLWRZXTFT-UHFFFAOYSA-N 456.572 2.266 30 10 JEEE C=CCCOCCn1c(N2CCN(C(=O)N3CCCCC3)CC2)nnc1[C@@]1(OCC)CCOC1 1507966350 QGVBONRQNAQIDG-XMMPIXPASA-N 476.622 2.251 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(CSC)c1 1507979879 CNYKBMOCNODKCO-SFHVURJKSA-N 451.618 2.145 30 10 JEEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1508095492 QCCPJJKCPNTCBL-VWLOTQADSA-N 463.586 2.241 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC(C)(C)N2CCOCC2)C1 1508129764 FEWZEDWNLAUHSF-SFHVURJKSA-N 474.631 2.162 30 10 JEEE CCO[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CC(=O)N(CCOC)C2)C1 1516405622 GPBWRJMOIYHBJW-PZJWPPBQSA-N 452.559 2.317 30 10 JEEE C=CCN1CC[C@H](N(C)C(=O)c2ccc(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)C1=O 1519603834 WMDNWMGCKNPHAZ-IBGZPJMESA-N 459.480 2.221 30 10 JEEE C#CCN(c1nnc(-c2ccccc2F)n1CCNC(=O)[C@H](C)CCC)[C@H]1CCS(=O)(=O)C1 1539212757 XUGXHAUJTIFSSH-MSOLQXFVSA-N 475.590 2.263 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1cccc(C(C)(C)O)c1)[C@@H]1CCS(=O)(=O)C1 1539219441 CJLWSPVHFZMUFQ-NHCUHLMSSA-N 472.611 2.422 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCO[C@@H](C)c2ccccc2)CC1 1539451842 BXGKENOZPDADFU-RBBKRZOGSA-N 471.627 2.103 30 10 JEEE C=C(C)COCCn1c(-c2cc(Br)cn2C)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1539730691 RZRYGQRBHKTUER-HNNXBMFYSA-N 472.409 2.262 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(OC(C)C)nc2)CC1 1539889984 GCYRPUWAUQVVGP-FQEVSTJZSA-N 490.630 2.244 30 10 JEEE C=CCCOCCn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1540029147 NESLNUDKSWTVHP-IBGZPJMESA-N 479.603 2.070 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1540863700 BYQKOYYIUZUGHK-AWEZNQCLSA-N 480.367 2.053 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(N(CC)CC)CC1 1540867160 MQYFSGCIAWATCG-UHFFFAOYSA-N 454.575 2.329 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CC[C@@](O)(c2ccccc2F)C1 1540902325 HFRKNSBHDTXDME-KNQAVFIVSA-N 464.563 2.358 30 10 JEEE C=CCSCCn1c(N2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)nnc1C(C)(C)C 1540922646 UVYUUGMIFJUGFU-UHFFFAOYSA-N 467.665 2.048 30 10 JEEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(Cc2ccc(F)cc2)n1CC(C)(C)O 1544582059 FIWLAXZEOHRARU-MRXNPFEDSA-N 450.522 2.156 30 10 JEEE CCS(=O)(=O)N(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)OC(C)(C)C1 1548326105 COKJYSFXXZUDEH-KRWDZBQOSA-N 460.604 2.492 30 10 JEEE Cn1ccc(C(=O)N2C[C@H](C(N)=O)C3(CCN(c4ccc(C#N)c(C(F)(F)F)c4)CC3)C2)n1 1548375363 JHWAGDQOXLQONS-QGZVFWFLSA-N 460.460 2.155 30 10 JEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCO[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)c1 1566256630 PNJCDPRYBDIMJC-LPHOPBHVSA-N 450.557 2.238 30 10 JEEE C#CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1587831016 HJOZQVQBIPDBQF-UHFFFAOYSA-N 461.588 2.236 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@@H]1CCC[C@@H](O)C1)[C@@H]1CCS(=O)(=O)C1 1588035816 XZUGFTMRJINFHC-MISYRCLQSA-N 458.584 2.132 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@H]1CCSC1(C)C)[C@@H]1CCS(=O)(=O)C1 1588064304 FWFXDIWIPMEGMI-RTBURBONSA-N 459.641 2.422 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1CC[S@](=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1588069264 KQWCUYILFWYWKE-GTJUCTONSA-N 492.667 2.339 30 10 JEEE C#CCN(c1nnc(CN2CCCC2=O)n1CCCSc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1588070332 YWJJRWYSGSMQQY-LJQANCHMSA-N 487.651 2.210 30 10 JEEE C#CCN(CC#CC)c1nnc(COc2ccc(Cl)cc2Cl)n1CC(=O)N1CCOCC1 1588254532 YNHYBTJMSMZDEB-UHFFFAOYSA-N 476.364 2.486 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2Cc2ccc(CS(C)(=O)=O)cc2)CC1 1588929939 JGXFZUGBZITISS-JOCHJYFZSA-N 499.637 2.078 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)CC1 1588955413 WWTWHDIPPZOFTA-IBGZPJMESA-N 495.628 2.485 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 1589484633 USUZTMDHSZUDDJ-NZQKXSOJSA-N 495.628 2.158 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2csc(CC)n2)CC1 1593746643 KHYHWEYAYSFQKS-SFHVURJKSA-N 494.687 2.114 30 10 JEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCCn2cc(Br)cn2)CC1 1594013107 CGAZUUXEEFOJCX-HNNXBMFYSA-N 486.440 2.484 30 10 JEEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C)C(C)(C)C1 1594812594 HTACWGPMAQJUHO-QZTJIDSGSA-N 455.625 2.076 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1595109398 YRUHOMKPQJQRJF-BJKOFHAPSA-N 490.626 2.061 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@H](C)c1ccc([S@@](C)=O)cc1 1595466130 FHURVWCPYOZECM-JTJFVBHCSA-N 481.582 2.162 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(C(=O)c2cccc(Cl)c2)CC1 1595523375 VTBSVZULMZULPQ-UHFFFAOYSA-N 465.945 2.258 30 10 JEEE C=CCNC(=O)Cn1c(N2CCN(C(=O)CCc3ccc(OC)cc3)CC2)nnc1C(C)(C)C 1595603052 WLYQWPVFCFCDML-UHFFFAOYSA-N 468.602 2.168 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)OC1CCCC1 1595805445 PCKBIVBUDRUIDL-GOSISDBHSA-N 499.634 2.498 30 10 JEEE C#CCN(C(=O)c1ccc(C[C@H]2CC(=O)NC2=O)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 1596141767 JFLXTWSDTJCVCF-IBGZPJMESA-N 453.539 2.367 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)C[C@@H](C)C#N)n1Cc1nc2cccc(Cl)c2n1C 1596782185 GTJUHVGGXYTQKN-STQMWFEESA-N 464.983 2.073 30 10 JEEE C[C@H](CC(=O)N[C@@H](c1ccc(F)cc1)c1nccn1C)/N=C1/NS(=O)(=O)c2ccccc21 1629177672 FZGSXPMNPLNCIU-VLIAUNLRSA-N 455.515 2.282 30 10 JEEE C=CC[C@]1(C(=O)N[C@@H]2CCCN(CCN3CCOCC3)C2)CCCN1C(=O)OC(C)(C)C 1650978250 VBFOBBYHQAHFAF-HYBUGGRVSA-N 450.624 2.245 30 10 JEEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)n1 1655207569 SFKWVAKUWYNISH-UHFFFAOYSA-N 457.306 2.024 30 10 JEEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 1657641126 JPEOSRJUGVYEOY-SUMDDJOVSA-N 455.602 2.408 30 10 JEEE C#CCN(C(=O)Nc1ccc(C)c(Oc2ccnc(C(=O)NC)c2)c1)[C@H]1CCS(=O)(=O)C1 1675051215 WBPWIBDGMBNTRI-KRWDZBQOSA-N 456.524 2.196 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(N2CCOCC2)CC(OCC)C1 1689831966 UXAFOEYHUDSHGC-MMQDLKIISA-N 475.634 2.047 30 10 JEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2cccc(OC)c2)C1 1689876994 OCLNUNUEZCVTSY-XLIONFOSSA-N 461.588 2.278 30 10 JEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1nncn1-c1ccccc1 1689966282 OIFUZUGEPNTHBB-LJQANCHMSA-N 478.557 2.285 30 10 JEEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(OCC(F)(F)F)nc1 1690003320 KNRYBZNGXKWJPO-NRFANRHFSA-N 463.460 2.387 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1Cc1cccc(OCCN(C)C)c1 1690043566 FPXWQJVLODRZOU-UHFFFAOYSA-N 474.565 2.457 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCN1c1cnn(C)c1 1690077588 RVYTZANMCYBWGO-CTNGQTDRSA-N 498.632 2.449 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@]1(N(C)C)CCSC1 1690101117 ORKOWWBHXCIPHI-VWLOTQADSA-N 495.653 2.198 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCN2CCOC[C@@H]2C)CC1 1690138327 YUBFJSVYFMNDNQ-PMACEKPBSA-N 498.603 2.244 30 10 JEEE C=C(Cl)Cn1c(-c2cccnc2)nnc1N1C[C@@H]2[C@H](C1)[C@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1690340117 FWVFIOZNEFDTOJ-BRWVUGGUSA-N 495.005 2.219 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(C)c(OC)c2)CC1 1690411245 IOLKRSICFGQZQF-OAQYLSRUSA-N 475.615 2.379 30 10 JEEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1690497270 LNGPFMVUGMTKTN-UHFFFAOYSA-N 458.607 2.336 30 10 JEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C2CCCC2)CC1 1690508590 LONJPIUCLYZUTL-LJQANCHMSA-N 451.637 2.228 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(F)cc3)n2CC2(C(N)=O)CCOCC2)C1 1690712115 NYWLDGLSVUEVRR-LJQANCHMSA-N 459.522 2.060 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCc2c(cccc2OC)C1 1690731255 FQOQDEISBXTHBQ-RXVVDRJESA-N 476.599 2.174 30 10 JEEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2[C@H](CCCN2C2CC2)C1 1690733518 GUASYTFYCJFGKG-YQVWRLOYSA-N 468.693 2.261 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C2CC2)N(C)C)c1 1705504326 SSBIXROWQYNNFD-NRFANRHFSA-N 486.580 2.322 30 10 JEEE C#CCCCCn1c(N2CCN([C@@H](C)C(=O)N3CCCC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1705522105 VRHOIDPLZZSQDI-NVQXNPDNSA-N 486.661 2.255 30 10 JEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1705526666 NTPQQZLNERLZAB-HOTGVXAUSA-N 452.602 2.020 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1CC1(SC)CCN(C)CC1)[C@H]1CCS(=O)(=O)C1 1705567794 ZVGNYTCIQGYOMM-SFHVURJKSA-N 467.705 2.321 30 10 JEEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1Cc1cccc(CS(C)(=O)=O)c1 1705611522 GXSGEOREWGTHHL-UHFFFAOYSA-N 455.540 2.058 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCCCS1(=O)=O 1705621375 YMKVFAUHCSZYEN-FQEVSTJZSA-N 473.574 2.147 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2C[C@H](C)N(CC)CC)CC1 1705645706 BDFQESMBOGIYFA-IBGZPJMESA-N 480.613 2.412 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C[S@@](C)=O)cc1 1705674506 KOKOHGMGNOUQJG-LZBSYVEOSA-N 460.625 2.099 30 10 JEEE C=C(Br)Cn1c(-c2cnccn2)nnc1N1CCC(C(=O)NCCCOCC)CC1 1705684792 CMVMZVQZMLPUCF-UHFFFAOYSA-N 478.395 2.403 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1705697377 UUDHMDALUBCTGE-IFMALSPDSA-N 496.612 2.108 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2(N(C)C)CCCCC2)CC1 1705781516 BKIYIMXMIIJWOF-FQEVSTJZSA-N 480.679 2.278 30 10 JEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2cc(F)cc(F)c2)CC1 1705819093 DCIGWRUYDRUHMW-FQEVSTJZSA-N 496.584 2.182 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)CC 1705864670 JDPCCJMAKLKMOU-DENIHFKCSA-N 481.594 2.104 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCO[C@@H]1C(C)C 1705876278 TURYLOXAQVEGMV-SLFFLAALSA-N 467.636 2.241 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCOC3)n2Cc2cccc(OCC(=O)N(C)C)c2)C1 1705925273 NENDOENZVNHYKS-CTNGQTDRSA-N 455.559 2.079 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1705930239 JHXHAWJRTKMGJT-INIZCTEOSA-N 463.564 2.022 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@H](C)[C@@H](OC)C1 1705931304 MACADJVAJHTVRW-JXFKEZNVSA-N 464.588 2.424 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1705933346 CXXAAXMRQIBBLM-JXFKEZNVSA-N 498.024 2.495 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1Cc1nccc(C(F)F)n1 1706621851 FMAZXQHNWLODLM-UHFFFAOYSA-N 495.538 2.386 30 10 JEEE CCO[C@@H]1C[C@H](N(C)c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)N(C)C)C1(C)C 1710588045 CTTJAOFZYXYJNH-RBUKOAKNSA-N 460.604 2.348 30 10 JEEE COc1ccc([C@H](C)CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@H](C)C#N)cc1 1711721027 CMFRYKHACXLBKF-DBXWQHBBSA-N 490.630 2.409 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OCC)CCOC3)n2CCc2nnc(C)s2)c1 1722304669 CCYVDYNDYVNWKW-DEOSSOPVSA-N 495.609 2.389 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1CCN1CCOCC1(C)C 1722376601 VGZAOXDZDPPBIP-UHFFFAOYSA-N 459.392 2.230 30 10 JEEE C#CCN(CC)c1nnc(-c2ccc(F)cc2Br)n1CCCn1cc(CO)nn1 1722407948 WKDDJGMYHDPTCU-UHFFFAOYSA-N 462.327 2.480 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@@H]1CCS(=O)(=O)C1 1722423765 OACBKTOCDUQLNR-HNNXBMFYSA-N 497.415 2.237 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C)Oc2ccc(OC)cc2)CC1 1722432060 RMTOXRUJERUUJB-LJQANCHMSA-N 475.553 2.157 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@@](O)(c2ccccc2)C(F)(F)F)CC1 1722432505 XZZRZANDUUQTOF-XMSQKQJNSA-N 481.519 2.207 30 10 JEEE C=CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1722616985 FSDSYYVJQIHQCK-UHFFFAOYSA-N 488.662 2.279 30 10 JEEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCN1CCC(O)CC1 1722640140 JNWUBOWNCLPKSO-IBGZPJMESA-N 464.611 2.056 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCc2cc(OC)c(C)cc2C1 1722726766 FFKFRQHPZVYNJB-UHFFFAOYSA-N 456.572 2.159 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1722732268 XEZQXZZFVVAMFC-RBUKOAKNSA-N 476.555 2.189 30 10 JEEE CN(Cc1nc(O)c2sccc2n1)c1nnc(-c2ccc(C#N)cc2)n1CCS(C)(=O)=O 1729441728 FAJVMVINMHJXFV-UHFFFAOYSA-N 469.552 2.208 30 10 JEEE CN(C[C@H]1CCOC1)c1nnc(COc2ccc(C#N)cc2)n1CCN1CCOCC1(C)C 1729486237 HPISZKWRXFLFNP-HXUWFJFHSA-N 454.575 2.312 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CC[C@@H](C)C2)c1 1740562570 PCYRQAHXGAJFNF-AOIWGVFYSA-N 472.615 2.381 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H](c1ccccc1)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1740622864 JZXBRZDMIWYFQE-JTHBVZDNSA-N 493.637 2.445 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2Cc2c(CC)nn(C)c2OC)CC1 1740693377 ZUDOKBLKKQZQRP-UHFFFAOYSA-N 479.585 2.070 30 10 JEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1c1ccc2c(c1)OCCO2 1740708814 CFYWEFQKWUFFSM-SJLPKXTDSA-N 491.639 2.367 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1740757256 NTFWUTWWNRAPBP-BJLQDIEVSA-N 462.620 2.362 30 10 JEEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)Cc1ccoc1C 1740959576 AEGJMLIMQUHCCO-UHFFFAOYSA-N 450.547 2.292 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCN(C2CC2)C(=O)C1 1740965003 KPVZMZIMJRUJOT-UHFFFAOYSA-N 460.991 2.337 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC(c2ccccc2CO)CC1 1740990091 IHCOVTZHEUVHEW-UHFFFAOYSA-N 470.599 2.156 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCN2CCCC[C@@H]2C1 1740992958 PWEYVMIDXGMDGF-QGZVFWFLSA-N 465.570 2.422 30 10 JEEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1740996724 QREJTSNGMDTDFY-QGZVFWFLSA-N 495.613 2.242 30 10 JEEE C=CCSCCn1c(N2CCO[C@@](C)(c3cnn(C)c3)C2)nnc1[C@]1(OCC)CCOC1 1741004789 MHJFPOWPUJNMHJ-YADHBBJMSA-N 462.620 2.335 30 10 JEEE CCN1C[C@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(OC)CCOC2)C[C@@H]1C 1746382802 AMDCRJIZEBKSSE-AXHZCLLHSA-N 454.575 2.453 30 10 JEEE CO[C@@]1(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCN2C[C@H](C)O[C@H](C)C2)CCOC1 1748495016 ASPFWLBIZRPZMW-YDIMBITNSA-N 454.575 2.168 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2C[C@@]2(C)COCCO2)c1 1748694708 LWEGBTNTEKNSRZ-VWLOTQADSA-N 460.538 2.126 30 10 JEEE C#CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC(NS(C)(=O)=O)CC1 1748730500 MICMCOLLAKNLSB-UHFFFAOYSA-N 458.588 2.079 30 10 JEEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1CCN(CCN(C)C)CC1 1748784140 CLRRIULFZQZRJT-UHFFFAOYSA-N 476.629 2.018 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC1(Cc2ccccc2)CC1)[C@@H]1CCS(=O)(=O)C1 1748801521 BPQAABSRMUWUBI-HXUWFJFHSA-N 469.611 2.066 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1c(F)cc(F)c(F)c1F)[C@@H]1CCS(=O)(=O)C1 1748818430 BKNNTTYFEUYXMX-OAHLLOKOSA-N 493.486 2.495 30 10 JEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1c(C)nn(C)c1C 1748828736 KDVNERAHVZDXBR-UHFFFAOYSA-N 464.599 2.018 30 10 JEEE C#CCN(CC#CC)c1nnc(Cc2ccncc2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1748896453 AVSAXNNRJDPKOC-UHFFFAOYSA-N 468.609 2.312 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@]1(O)CCC[C@@H]1C 1748960255 FOLBWOIPQQHCLV-BVZFJXPGSA-N 464.570 2.312 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CCN(C(=O)OC(C)(C)C)C2CC2)CC1 1748993616 FOJRRVNPZHUMLU-UHFFFAOYSA-N 465.602 2.419 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@](C)(O)CC)CC1 1749001728 ZXWGNQJGXDGRLT-VWLOTQADSA-N 466.586 2.274 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2sc(C)nc2C)CC1 1749003460 KPLPXMSAWNXCKT-HSZRJFAPSA-N 472.615 2.018 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2C[C@]2(N(C)C)CCSC2)CC1 1749010907 SBHFMXNYQKCKPT-RUZDIDTESA-N 482.654 2.357 30 10 JEEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CCOC)[C@@H](C)C1 1749114608 DLACDNMDKMELFJ-ULQDDVLXSA-N 458.401 2.068 30 10 JEEE C=C(Cl)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1749277614 IDRWLBOISNCRRY-UHFFFAOYSA-N 454.966 2.318 30 10 JEEE C=CCCOCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](C(N)=O)C1 1749457115 ODTYBYWOIKLJQL-ROUUACIJSA-N 462.595 2.297 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1-c1cnn(C)c1 1749574742 DHRQTFFCKWJAHU-JOCHJYFZSA-N 497.625 2.238 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCC([C@@H]3CCOC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1749739352 AVRPLBKRVRCBMO-OFNKIYASSA-N 482.647 2.172 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1CCN(C)C(=O)OC(C)(C)C 1751191645 GOFYYEXDYDLHEL-INIZCTEOSA-N 491.618 2.263 30 10 JEEE C#CCN(c1nnc(CC)n1CCc1ccc(OC)c(OC)c1Cl)[C@H]1CCS(=O)(=O)C1 1760186531 OICZYLPBZUHRRC-INIZCTEOSA-N 466.991 2.381 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCC(=O)NC(C)C 1760216285 HUCSHJNREIDUNK-UHFFFAOYSA-N 473.581 2.443 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCc1csc(C)n1 1760247652 JXDAGBPCQMEGGF-UHFFFAOYSA-N 463.567 2.286 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1760256065 KZLVXJAPIAEYID-INIZCTEOSA-N 465.982 2.318 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCc2cn[nH]c2)CC1 1760264696 CLNKLROZPCNIOG-UHFFFAOYSA-N 474.569 2.079 30 10 JEEE C=C(C)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1760342813 NKZOXXWZAGEPKK-UHFFFAOYSA-N 471.587 2.083 30 10 JEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCSCC(F)(F)F)C1CC1 1760476673 CELHNGQWMQTDMP-CQSZACIVSA-N 469.555 2.061 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCN(CCC(C)(C)C)CC1 1760553894 LDUJWVCFZSTBMG-UHFFFAOYSA-N 492.646 2.165 30 10 JEEE CC(C)OC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNS(=O)(=O)Cc2ccon2)CC1 1761299349 COBSDMSTYNVEOQ-UHFFFAOYSA-N 499.597 2.318 30 10 JEEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccc2c(c1)OCCO2 1862745239 DTWZRTWIWRQTMQ-HXUWFJFHSA-N 467.434 2.080 30 10 JEEE COc1ccc(N2CCN(C(=O)[C@@H](CC(C)C)N=C3NS(=O)(=O)c4ccccc43)CC2)cc1 1869930406 ZVLMZZFEWNKILH-OAQYLSRUSA-N 470.595 2.497 30 10 JEEE CCN(CC)CCNC(=O)c1ccc(-n2nnc(C#N)c2NC(=O)c2ccc(OC(C)=O)cc2)cc1 1870153576 AKFGPVPBXQFRQZ-UHFFFAOYSA-N 489.536 2.388 30 10 JEEE COc1cccc(-n2nnc(C#N)c2NC(=O)CN2C(=O)c3ccc(Br)cc3C2=O)c1 1870155372 JVMDZKZSJFBBHJ-UHFFFAOYSA-N 481.266 2.145 30 10 JEEE CC(=O)N1CCN(Cc2cc(=O)c(OCc3ccc(C#N)cc3)cn2Cc2ccncc2)CC1 1870348384 WFBRLPHMDLLONP-UHFFFAOYSA-N 457.534 2.406 30 10 JEEE C=CCn1cc(OCC(=O)NCc2ccccc2)c(=O)cc1CN1CCC2(CC1)OCCO2 1870395135 GLZYZCCJZHCBFE-UHFFFAOYSA-N 453.539 2.068 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)N[C@@H](C)c2ccccc2)cn1CCNC(C)=O 1870412372 OFKLMLDUTUASDT-FQEVSTJZSA-N 466.582 2.415 30 10 JEEE COCCN1CC(=O)C(c2nc3ccccc3s2)=C1NC(=O)c1ccc(NS(C)(=O)=O)cc1 1873711424 SWWLIAZLWGHDSK-UHFFFAOYSA-N 486.575 2.298 30 10 JEEE COc1ccccc1OCC#CCNC(=O)[C@@H]1SCC(=O)N(C2CC2)[C@@H]1c1cccnc1 1889466272 QVPXRHLMBMJZSH-DHIUTWEWSA-N 451.548 2.436 30 10 JEEE N#Cc1ccnc(O[C@H]2CCN(C(=O)[C@@H]3CCCN3S(=O)(=O)c3cccc(Cl)c3)C2)c1 1890194244 KWNHWTBDLUFRHT-HKUYNNGSSA-N 460.943 2.440 30 10 JEEE CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2180969809 ZLIRDQTUWXJRGZ-QGZVFWFLSA-N 462.352 2.405 30 10 JEEE COC1(CNC(=O)OC(C)(C)C)CC(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2180970777 RHDOMGFRVAODRY-UHFFFAOYSA-N 462.356 2.034 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCOC[C@H]1NC(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2255538508 LRSQMCNAXJISQT-HZPDHXFCSA-N 452.382 2.459 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](NC(=O)c2scc(B3OC(C)(C)C(C)(C)O3)c2Cl)C1 2255600924 UWBUUDOYPZYQOP-OLZOCXBDSA-N 472.800 2.411 30 10 JEEE CC1(C)OB(c2ccc(S(=O)(=O)NC3[C@H]4CN(Cc5ccccc5)C[C@H]34)s2)OC1(C)C 2255754417 ZCWLSXBEEDNRFA-IRXDYDNUSA-N 460.430 2.456 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2255933300 MYEPTYRSQIMVRC-OAHLLOKOSA-N 472.438 2.476 30 10 JEEE CC1(C)OB(c2ccsc2S(=O)(=O)N[C@H]2[C@@H]3CN(Cc4ccccc4)C[C@@H]32)OC1(C)C 2255949101 SYDLABSZDLWMFC-DZFIZOCASA-N 460.430 2.456 30 10 JEEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC(F)(F)C1(O)CN(C(=O)OC(C)(C)C)C1 2260065591 LYOZQRKXTYAOEV-CQSZACIVSA-N 461.506 2.026 30 10 JEEE Cc1sc(C(=O)NC[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2267112983 OEZSIUBKTQRZGU-JOCHJYFZSA-N 466.409 2.457 30 10 JEEE Cc1nc(C(=O)N2C[C@@H](NC(=O)C(F)(F)F)CC[C@H]2C)c(B2OC(C)(C)C(C)(C)O2)s1 2267175179 ZCMLVPMAVSTYJL-PWSUYJOCSA-N 461.315 2.422 30 10 JEEE CO[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)N(C(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)C1 2267284066 XFEZHOHAKSYRIV-HUUCEWRRSA-N 450.341 2.333 30 10 JEEE CC(C)(C)OC(=O)NC1(CNC(=O)c2occc2B2OC(C)(C)C(C)(C)O2)CCOCC1 2267491032 WYSFMOIOFSCLHW-UHFFFAOYSA-N 450.341 2.383 30 10 JEEE CC(C)(C)OC(=O)N1CCN(CCNC(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)CC1 2267586574 MBXNYMTVYZCTRC-UHFFFAOYSA-N 465.425 2.330 30 10 JEEE CN(C(C)(C)CNC(=O)OC(C)(C)C)S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2267702734 LAUGYABZWDPIFF-UHFFFAOYSA-N 469.413 2.305 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2[C@H](NS(=O)(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)cc3)[C@H]2C1 2267716521 OHJYOKLRMQKIGW-PIIMJCKOSA-N 464.393 2.129 30 10 JEEE CN(Cc1sccc1B1OC(C)(C)C(C)(C)O1)C(=O)CC1(O)CN(C(=O)OC(C)(C)C)C1 2268638591 JKIIULBFTDDSNY-UHFFFAOYSA-N 466.409 2.378 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC12CC2 2281963975 RMYZSYOPWGZLAN-INIZCTEOSA-N 460.384 2.332 30 10 JEEE C=CCC1(NC(=O)c2nn(CC)cc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2282001332 ZUMGARVVBRQFQC-UHFFFAOYSA-N 460.384 2.498 30 10 JEEE Cn1cc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C2CC2)c(B2OC(C)(C)C(C)(C)O2)n1 2282066738 LEIZMZSVLPKNNA-DLBZAZTESA-N 460.384 2.237 30 10 JEEE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282303687 ZPGFXMOGWMDFDX-QAPCUYQASA-N 481.424 2.305 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@H]2C1 2282594010 YLGRDSRIKQXSMP-PMACEKPBSA-N 450.392 2.374 30 10 JEEE CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1O 2282978217 KMDGCTGSXWUJPW-AEFFLSMTSA-N 462.352 2.056 30 10 JEEE C[C@H](NC(=O)[C@H](CCN(C)C)NC(=O)OC(C)(C)C)c1nscc1B1OC(C)(C)C(C)(C)O1 2284054430 CEPPHRNKNMVMGX-HOCLYGCPSA-N 482.456 2.465 30 10 JEEE CC1(C)OB(c2cc(F)ccc2S(=O)(=O)N[C@@H](COCc2ccccc2)C(=O)O)OC1(C)C 2284395116 HYINVDYYJDIDFL-SFHVURJKSA-N 479.335 2.073 30 10 JEEE C[C@@H](OCc1ccccc1)[C@@H](NC(=O)c1nn(C)c(Cl)c1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284429422 FHFOEBBQRHECEX-CZUORRHYSA-N 477.754 2.161 30 10 JEEE COc1cc(C=Nn2c(SCCO)nnc2[C@H]2CC(=O)N(Cc3ccccc3)C2)cc(OC)c1O 2325924503 PBZMZIXNFHZUFL-SFHVURJKSA-N 497.577 2.484 30 10 JEEE CC(=O)NCc1nnc(SCC(=O)N[C@H](C)c2ccccc2)n1N=Cc1ccccc1C(=O)O 2330792495 RWNWKSFEORLEMB-OAHLLOKOSA-N 480.550 2.464 30 10 JEEE COc1nc(O[C@]2(CNC(=O)OC(C)(C)C)CCOC2)ccc1B1OC(C)(C)C(C)(C)O1 2339823472 IBLQJRZHFSGEJQ-QFIPXVFZSA-N 450.341 2.452 30 10 JEEE CC(C)(C)OC(=O)N[C@@]1(C(=O)N2CC[C@](C)(B3OC(C)(C)C(C)(C)O3)C2)CCS(=O)(=O)C1 2342479989 MKSRXNZCCAQUKW-SFTDATJTSA-N 472.413 2.153 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2S(C)(=O)=O)n1 2362154329 RPMTWBVYXNYHIM-SJORKVTESA-N 481.424 2.134 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C2)n1C 2362331357 HBHQQMNIXIBEIW-GJZGRUSLSA-N 462.400 2.498 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H]3CCN(C(=O)OC(C)(C)C)[C@H]3C2)n1C 2362333224 RLISUGMQABARQX-HOTGVXAUSA-N 460.384 2.109 30 10 JEEE C[C@@H](CN=c1cc(B2OC(C)(C)C(C)(C)O2)c(F)c[nH]1)N1CCN(C(=O)OC(C)(C)C)CC1 2371998702 QEIABJMTQDOSNL-INIZCTEOSA-N 464.391 2.295 30 10 JEEE C#CCOC[C@@H](O)CN(CCOC)CC(=O)N1CCc2sccc2[C@H]1COc1cccc(F)c1 105004626 XSAWIFCLLBFUCS-NZQKXSOJSA-N 490.597 2.351 30 10 JEEE C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](Oc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 204866468 LFONKNQWQAEQDU-WBVHZDCISA-N 476.383 2.059 30 10 JEEE CCn1cc(-n2c(=C(C#N)C(=O)CC(C)(C)C)sc(=Cc3cnn4ccccc34)c2=O)cn1 729672311 HYFLUOZQKRMPAB-UHFFFAOYSA-N 460.563 2.271 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)N(CC(=O)OC)Cc2ccc(F)c(F)c2)ccc1F 730971200 SVSWPFCUHRNGBU-UHFFFAOYSA-N 456.442 2.384 30 10 JEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)ccc2OC)c(=O)n1-c1ccccc1C#N 917799761 SKMSRICELOYIFS-UHFFFAOYSA-N 476.945 2.238 30 10 JEEE C=CCn1c(S)nnc1Cc1csc(NC(=O)[C@]2(O)CCN(Cc3ccccc3)C2)n1 1143259322 IFUJMQQLZQGARR-NRFANRHFSA-N 456.597 2.376 30 10 JEEE C=CCN(CC=C)[C@H](CNC(=O)[C@@]12CN(C(=O)OC(C)(C)C)C[C@@H]1CS(=O)(=O)C2)C(C)C 1144204829 XQPKXVOWHNQYAP-DNVFCKCGSA-N 469.648 2.083 30 10 JEEE CC(=O)c1ccc(S(=O)(=O)NCCC(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)cc1 1154042448 HZODLHAAUFOJHP-UHFFFAOYSA-N 455.471 2.393 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(OCC(F)(F)F)nc1 1286297832 DNIHVOCSBFZZSH-GOEBONIOSA-N 471.505 2.217 30 10 JEEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CCNC(=O)c1cccc(C)c1 1286303868 SZVPSVKBOSZMIL-KRWDZBQOSA-N 450.568 2.466 30 10 JEEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1286349153 FKIGLRQZXWCCOF-UHFFFAOYSA-N 479.633 2.496 30 10 JEEE C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@H]1C[C@H]2CC[C@H]1C2)[C@@H]1CCS(=O)(=O)C1 1286384258 HAGYSJULOSHUKS-WKWVNEEDSA-N 450.605 2.065 30 10 JEEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1C[C@H](C)N1CCN(c2ccccc2)CC1 1286400993 MHIWHAXEECCADL-HOFKKMOUSA-N 476.625 2.214 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)c1cccc(F)c1 1286431616 QDNYSPNHOSHGFL-NRFANRHFSA-N 487.601 2.191 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@@H](C)N2CCOCC2)CC1 1286474872 SMNHSJWCBNCXJV-OAQYLSRUSA-N 482.629 2.217 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CC(C)(C)c2ccccn2)CC1 1286492410 KKVWSCCROBMSAQ-UHFFFAOYSA-N 474.613 2.478 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CCNC(=O)OC(C)(C)C)CC1 1286495118 WWUTUAIWWDGBDS-UHFFFAOYSA-N 487.630 2.124 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1scnc1C 1286546240 HUNDNOBCWWRPRV-INMHGKMJSA-N 454.622 2.271 30 10 JEEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1 1286619477 AYDVSHCZYMUAEG-YTQUADARSA-N 465.023 2.209 30 10 JEEE C=CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1286690799 WDIZRRFBMNRJCC-SNJCGAMXSA-N 474.650 2.347 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 1286789943 MBEIJXDCHIXVJZ-UHFFFAOYSA-N 497.962 2.321 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@]2(OC)CCOC2)c1 1300332163 YTMGEMNXHDZXSA-UIOOFZCWSA-N 497.596 2.180 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC)n2CC2(N3CCOCC3)CC(OCC)C2)c1 1300334253 JIPJNEJUDOIBLT-UHFFFAOYSA-N 480.613 2.167 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1Cc1cnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1300483992 QGEVOGSMYRRVJI-QGZVFWFLSA-N 487.607 2.402 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1C[C@](C)(O)CCOC)[C@H]1CCS(=O)(=O)C1 1300489038 IGHSAQBUEBXLIW-GHTZIAJQSA-N 466.991 2.013 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCc1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 1300490711 CADVKDQZIKZZCW-SFHVURJKSA-N 458.975 2.201 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1300504351 MMBNPHGEVDDNDV-CTNGQTDRSA-N 458.584 2.361 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCN(C)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 1300506630 WSVPIQFSHDSBIK-LEWJYISDSA-N 463.648 2.411 30 10 JEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCC(=O)N1CCCCCC1 1300527942 MTXJMIJYMZJFKR-UHFFFAOYSA-N 481.626 2.104 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2OC)n1CCC[C@@H]1NC(=O)NC1=O 1300564589 FUECBHWRCQHOSD-KRWDZBQOSA-N 454.918 2.058 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccccc3Br)n2C[C@]2(O)CCO[C@@H]2C)CC1 1300692783 MVAGNQKXVZVYBZ-IIBYNOLFSA-N 460.376 2.003 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2C[C@](C)(O)CCC)CC1 1300719182 QMRCKVDEXIZFRQ-XMMPIXPASA-N 453.543 2.191 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CCc2nnc3n2CCCCC3)CC1 1300726825 RNEZRTGJUCQCLZ-UHFFFAOYSA-N 452.607 2.003 30 10 JEEE C#CCSCCn1c(Cc2ccccc2C)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1300765224 BRYHAINVLMRAPP-LJQANCHMSA-N 461.657 2.309 30 10 JEEE C=CCCOCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCN(CC)C(=O)C1 1301258418 RWNUWJWGXFHFCU-IBGZPJMESA-N 492.621 2.238 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(Cc2cc(C)on2)CC1 1301503219 WIQPSDJWAHDLHX-UHFFFAOYSA-N 469.977 2.443 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(C)nc4ccccc34)n2CCNS(C)(=O)=O)C1 1301543574 MPCFXAFMCGTKTF-QGZVFWFLSA-N 456.572 2.132 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2CCNC(=O)c2cc[nH]n2)C1 1301556345 HTYWUPIDNAXRTQ-OAHLLOKOSA-N 457.485 2.082 30 10 JEEE Cc1nn(C)c(C)c1CN(C)c1nnc(COc2ccc(C#N)cc2)n1CCC(=O)N(C)C 1304721339 FQWJHWCWBSSTLH-UHFFFAOYSA-N 450.547 2.194 30 10 JEEE CCC(O)(CC)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(c2ccccc2C#N)CC1 1305851666 DRZUZAHAJKDPGG-HXUWFJFHSA-N 486.642 2.320 30 10 JEEE C=C(C)CN1CCC(NC(=O)c2ccc(OC)c(S(=O)(=O)NCc3ccccn3)c2)CC1 1306540702 SSBLVMWWPILQEB-UHFFFAOYSA-N 458.584 2.339 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1cnn(-c2ccccc2)c1)[C@H]1CCS(=O)(=O)C1 1358955022 CGGNMYMFRHIUGI-FQEVSTJZSA-N 452.584 2.436 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CC(C)(C)OC)[C@@H]1CCS(=O)(=O)C1 1358967236 GKLPKQWGNGFGHX-QGZVFWFLSA-N 450.536 2.048 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1CCNC(=O)c1ccc(C)c(F)c1 1358987294 ZRWDLJKWIVBTBT-RUZDIDTESA-N 467.545 2.271 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCCS(C)(=O)=O 1358991539 FGTSDKXHHRCUBL-UHFFFAOYSA-N 480.594 2.134 30 10 JEEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1cccc(F)c1 1359058255 XHVFMEGXEUWVDP-UXHICEINSA-N 493.630 2.458 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCSC1(C)C 1359070832 WGJUERGOKFRIKA-XGHQBKJUSA-N 467.661 2.135 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@H](C(C)C)C1 1359098831 GVEUALBBPFIPKD-FYQPLNBISA-N 499.703 2.170 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N(C)CCN2CCOC(C)(C)C2)nnc1[C@]1(OCC)CCOC1 1359104858 GOMJCUMIVNVGFZ-WATLYSKOSA-N 477.650 2.458 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(Cl)c(OC)c2)CC1 1359165511 QQGJQFSOPRMHSB-LJQANCHMSA-N 482.006 2.478 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@]2(OCC)CCOC2)n1C[C@]1(O)CCN(C)C1 1359259883 LHUYSTTVDXKNLR-ZEQRLZLVSA-N 459.566 2.329 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1359291766 BJEJNRWLUZJCHC-IVZQSRNASA-N 458.950 2.233 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2ncccc2F)CC1 1359295715 LPWAPDXAINMLKU-UHFFFAOYSA-N 456.913 2.156 30 10 JEEE CC(C)CCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1C[C@]1(N2CCOCC2)CCSC1 1359929438 GGJXNIIVPCVZKS-AUSIDOKSSA-N 475.663 2.203 30 10 JEEE CC(C)(C)OC(=O)[C@H]1CC(=O)N(C2CCN(S(=O)(=O)c3ccc(C#N)c(F)c3)CC2)C1 1464023208 FNIODMFXAOAASJ-HNNXBMFYSA-N 451.520 2.041 30 10 JEEE C=C(C)C[C@@H](NS(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1OC)C(=O)OC 1464253739 CYHAFQNTIIVOEJ-LLVKDONJSA-N 451.295 2.460 30 10 JEEE C#CCn1ccc(CN(CC)C(=O)NC2CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)n1 1477858905 CTHDUEYNLSGGSX-UHFFFAOYSA-N 453.543 2.370 30 10 JEEE CCS(=O)(=O)N(C)CCCn1c(COc2ccc(F)cc2)nnc1N1CC[C@@](F)(C#N)C1 1503266894 CSSOIRGEBIOFKS-HXUWFJFHSA-N 468.530 2.110 30 10 JEEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CCc1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 1507627256 RNMMRFVQBGSCJY-XUZZJYLKSA-N 472.611 2.108 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1CCN(C)Cc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1507634521 NXHPXXVQHRVXJI-OAQYLSRUSA-N 461.607 2.374 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1CCCCNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1507635709 UQFHZWZUVRMAQN-GOSISDBHSA-N 465.620 2.162 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCc1sccc1C)[C@H]1CCS(=O)(=O)C1 1507637062 GQYPQJQZFZZQCE-BJLQDIEVSA-N 478.640 2.241 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1Cc1cc(C)nn1C 1507647900 IFPICMUYYLDQFZ-UHFFFAOYSA-N 454.538 2.399 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccccn2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1507701080 WVADWKCSVKAXJZ-IBGZPJMESA-N 468.558 2.401 30 10 JEEE C#CCN1CCN(c2nnc(CCCc3ccccc3)n2C[C@H](C)CN2CCOCC2)CC1 1507727397 IORWCZBLPKMGCE-HSZRJFAPSA-N 450.631 2.177 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)CC1 1507736729 QRKUZZBXTZKZBS-OALUTQOASA-N 467.618 2.127 30 10 JEEE C=C1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2CCS(=O)(=O)NC)CC1 1507879661 UZNQPVWDFOEDIQ-UHFFFAOYSA-N 470.393 2.422 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](c2ccc(OC)cc2)C1 1508070674 BBVMXRNAIVPFRJ-GOSISDBHSA-N 461.526 2.230 30 10 JEEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccccc1CN1CCC[C@H]1CO 1539153480 DZAOZIFHKLZGIH-WIOPSUGQSA-N 453.587 2.005 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1CCNC(=O)c1ccco1 1539315417 LWSZTVWFNFGIOJ-UHFFFAOYSA-N 455.478 2.080 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2CC2CCN(C(C)=O)CC2)CC1 1539481447 AAXCQJBGZKBXGK-UHFFFAOYSA-N 476.625 2.402 30 10 JEEE C#CCSCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1539518310 XNMDWZCTLTXFHW-GOSISDBHSA-N 497.687 2.382 30 10 JEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(O)(c2ccccc2)CC1 1539966976 NNVQCXAUPPDEKB-NRFANRHFSA-N 489.642 2.455 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1540865601 LVHWIOSHZUFLTA-FQEVSTJZSA-N 499.593 2.433 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1540876149 IWYFLASHJCOAGY-HOYKHHGWSA-N 492.621 2.114 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1540900904 MNCIWCDNJMRKLB-UHFFFAOYSA-N 497.625 2.288 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1540907546 AGFMBRZPYVYCID-OAHLLOKOSA-N 472.493 2.102 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CC=C(C(F)(F)F)CC2)nnc1[C@]1(OCC)CCOC1 1540908522 ILRARKCLEJRKQJ-SFHVURJKSA-N 464.510 2.230 30 10 JEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCCN1CCN(c2ncccn2)CC1 1542525398 NETHIFZGEFLLQZ-QGZVFWFLSA-N 452.987 2.141 30 10 JEEE C=CCn1cc2ccc(NC(=O)[C@@]34CN(C(=O)OC(C)(C)C)C[C@@H]3CS(=O)(=O)C4)cc2n1 1585161790 QVSVKCNWUHSANS-OPAMFIHVSA-N 460.556 2.443 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2CCC2(O)CCOCC2)c1 1587689975 VPVMNJRURDIWMR-UHFFFAOYSA-N 460.538 2.328 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC)n2CC[C@H](C(F)F)N2CCOCC2)c1 1587693965 YNTJZWZZKGONJM-LJQANCHMSA-N 460.529 2.253 30 10 JEEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccccc1OC)[C@@H]1CCS(=O)(=O)C1 1588034647 JVNGQEIRDSBICG-HYBUGGRVSA-N 488.610 2.002 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1CCc1ccccc1OCC)[C@@H]1CCS(=O)(=O)C1 1588049963 OJWGXEZHACRGNA-LJQANCHMSA-N 466.567 2.003 30 10 JEEE C#CCN(c1nnc([C@H]2COc3ccccc3O2)n1CCOCC(=C)C)[C@H]1CCS(=O)(=O)C1 1588059426 NYRGWCXQCXUARI-GHTZIAJQSA-N 472.567 2.010 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1ccnc(SC)c1)[C@H]1CCS(=O)(=O)C1 1588065435 YQCWKWMCXPOTCN-IBGZPJMESA-N 468.608 2.056 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(F)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 1588075066 WRCKFGKQCRKIEB-ZWOKBUDYSA-N 496.992 2.470 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCOCCS(C)(=O)=O 1588099390 LYWSIJGCGPOWRO-KRWDZBQOSA-N 460.625 2.265 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccn2C)n1C[C@H](c1ccc(C)o1)N1CCOCC1 1588620165 OILOKUWQLQCWGY-OAQYLSRUSA-N 452.559 2.345 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)N2C[C@H](C)C[C@@H](C)C2)CC1 1588724344 XBXXRQGZGUEVHG-NHCUHLMSSA-N 455.651 2.026 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc(Cl)nc2)CC1 1588892180 YXTOWUXJCHFMAL-DEOSSOPVSA-N 487.004 2.381 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OC)n2C[C@H]2CCC[C@@H](O)C2)CC1 1588968371 KEWMDQUWGWFQFT-PZJWPPBQSA-N 481.597 2.383 30 10 JEEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1589005892 ADPYZJMDKVOFFG-UHFFFAOYSA-N 497.625 2.354 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](Cc2ccccc2)OC)CC1 1594097211 NQXUESAREYKRND-SFTDATJTSA-N 475.615 2.025 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCCS1(=O)=O 1595133418 GMHQJZJZRATWFA-MOPGFXCFSA-N 496.630 2.479 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)OC 1595161600 FPGXZGBWZJWJFI-QGZVFWFLSA-N 469.633 2.290 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 1595496815 ICQDQVLVGBXPNQ-SFHVURJKSA-N 467.530 2.340 30 10 JEEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1595837828 FYORJLVRUJKIIZ-UHFFFAOYSA-N 452.588 2.027 30 10 JEEE CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](CC(C)C)N(C)C)CCO1 1596641074 CDURBQCNRYXOBT-FCHUYYIVSA-N 453.591 2.134 30 10 JEEE C[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1ncnn1CC(F)F)N1CCOCC1 1611498813 HGIHZLORGCBWHL-INIZCTEOSA-N 471.516 2.030 30 10 JEEE CCN1CCN(C[C@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@H](OC)C2)CC1 1615884663 DUVMUNMNBSTGSB-REWPJTCUSA-N 467.618 2.227 30 10 JEEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCC[C@H](NC(=O)c3cc4ccccc4o3)C2)CC1 1616059044 FWRXRWBIBMMCMA-SFTDATJTSA-N 451.571 2.319 30 10 JEEE C#C[C@@H](NC(=O)CCc1nc2c(c(O)nc(=O)n2CCCC)n1CC(C)C)C1CCOCC1 1618321616 HAENYBYYOQRWCU-GOSISDBHSA-N 457.575 2.232 30 10 JEEE C=CCOC[C@@H](NC(=O)c1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1C)C(=O)OC 1626205203 ZDURLERORFHDLZ-LJQANCHMSA-N 450.488 2.409 30 10 JEEE CC(C)[C@@H](CCN(C)C(=O)CNS(=O)(=O)c1ccc(C#N)cc1)NC(=O)OC(C)(C)C 1628972507 CSCZVDLLLSQBFV-GOSISDBHSA-N 452.577 2.234 30 10 JEEE C[C@@H](NC(=O)N1CCN(c2cnccc2C#N)CC1)c1cc(F)ccc1N1CCN(C)CC1 1630827618 GRKTYMOOYUGACX-GOSISDBHSA-N 451.550 2.437 30 10 JEEE C=C(CCC(=O)OC)C(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 1636458109 XJYDUDSLQKOYLT-ROUUACIJSA-N 451.564 2.250 30 10 JEEE C#CCn1ccc(CN(CCOC)C(=O)NCC(=O)N2CCC(Cc3ccccc3)CC2)n1 1679920904 YBMZLCDFDKFLTB-UHFFFAOYSA-N 451.571 2.156 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1cn(CCCC)nc1C)[C@H]1CCS(=O)(=O)C1 1689998513 ODLLKOWPKVYUPT-VQTJNVASSA-N 460.604 2.110 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1OC(F)(F)F 1690077256 LMMDBXLLFFTIBC-QGZVFWFLSA-N 487.504 2.017 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1c(F)cccc1OC(F)F 1690103911 JEIWEEVVCBZYFI-AWEZNQCLSA-N 472.489 2.055 30 10 JEEE C#CCN(CCOC)c1nnc(Cc2c(F)cccc2F)n1CCN1CCN(C)C(C)(C)C1 1690105167 VWUIIFARIFCDDD-UHFFFAOYSA-N 460.573 2.259 30 10 JEEE C#CCN1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCCOC(C)C)CC1 1690124399 KMMCUWBKISMXRM-UHFFFAOYSA-N 452.607 2.022 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)CCNS(C)(=O)=O 1690237806 AVPXUZPBTAUNGT-RXVVDRJESA-N 485.614 2.302 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2noc3c2COCC3)nnc1N(C)CCNC(=O)C(C)C 1690245776 MXBQYKAXPJIEGV-JXFKEZNVSA-N 458.563 2.195 30 10 JEEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 1690327945 BGKZPQMIQFTQFX-NHYWBVRUSA-N 459.922 2.171 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1C[C@@H]2OCO[C@@H]2C1 1690676026 NDTHLNJZJNZYCX-IYBDPMFKSA-N 454.314 2.028 30 10 JEEE Cc1nc(N2CCOCC2)sc1-c1nnc(N(C)C[C@H](C)C#N)n1CC1([S@@](C)=O)CCC1 1692911449 CLGXNPAMQCMARI-IBADJEFMSA-N 477.660 2.444 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCc1ccc(C=C)cc1)[C@@H]1CCS(=O)(=O)C1 1705561293 SDQNJRSGMKFWRM-OAQYLSRUSA-N 490.589 2.438 30 10 JEEE C#CCN(c1nnc([C@@H](C)OCCOC)n1CC12CCC(CC1)C2)[C@@H]1CCS(=O)(=O)C1 1705561666 VSGIJVDLHVROIC-CTDOOQEKSA-N 450.605 2.209 30 10 JEEE C#CCN(c1nnc(C2CCC2)n1Cc1cccc(OCCN(C)C)c1)[C@H]1CCS(=O)(=O)C1 1705564113 AFIQODHCAHKRJI-NRFANRHFSA-N 471.627 2.161 30 10 JEEE C#CCN(c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC=C)[C@H]1CCS(=O)(=O)C1 1705566050 LRCYHVYMESZOMS-KRWDZBQOSA-N 466.567 2.049 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1Cc1ccc(OC)nc1)[C@@H]1CCS(=O)(=O)C1 1705568249 JRTHNNPYNDHFFW-GOSISDBHSA-N 485.541 2.075 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCc1c(C)cccc1C)[C@@H]1CCS(=O)(=O)C1 1705571930 LOMVHTCOQSCYSB-XJUOHMSHSA-N 486.638 2.488 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1([S@](C)=O)CCC1 1705595602 YIRFODLWWFRGAV-YTTGMZPUSA-N 472.640 2.002 30 10 JEEE C#CCN(CCOC)c1nnc(COc2cc(C)ccc2C)n1C[C@H]1CCCS(=O)(=O)C1 1705630487 VAIFXTRPUJFKGL-HXUWFJFHSA-N 460.600 2.385 30 10 JEEE C#CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1705661318 YPOWJDBEKNISPR-UHFFFAOYSA-N 465.620 2.235 30 10 JEEE C=C(C)COCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCn2nc(C)nc2C1 1705731547 WSRATFYEMMPJIU-UHFFFAOYSA-N 470.965 2.374 30 10 JEEE C=C(C)COCCn1c(CC2CCCC2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1705738467 YSFWOLPUPCFZLI-NRFANRHFSA-N 481.663 2.234 30 10 JEEE C=CCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1705787459 TVJXUPZCGNLJIH-AZUAARDMSA-N 459.639 2.007 30 10 JEEE C=CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1705814477 QHMLTWZAUKBBLQ-INIZCTEOSA-N 473.375 2.129 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Br)s3)n2CCNS(C)(=O)=O)C1 1705919579 HBBNBOSGMNSSCI-GFCCVEGCSA-N 476.422 2.100 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(OC(C)(C)C)CC1 1705930089 DZGHPHBVRFDLSV-UHFFFAOYSA-N 476.603 2.310 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](CC)C1 1705931425 PGWNBDUYSYUYER-MRXNPFEDSA-N 452.602 2.186 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1705938417 XTHFOBJHCRXODE-LJQANCHMSA-N 496.655 2.088 30 10 JEEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2ccccc2)C1 1705939660 IYMMWJTVKARUOM-SJLPKXTDSA-N 451.618 2.385 30 10 JEEE CCO[C@@]1(c2nnc(N(C)Cc3cccc(C#N)c3)n2C[C@H]2CCCS(=O)(=O)C2)CCOC1 1710427024 ICUOWWMNJGHXRK-OFNKIYASSA-N 473.599 2.263 30 10 JEEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1CCCCC1=O 1711085454 HYZPNEPDKMDZMA-HXUWFJFHSA-N 470.599 2.091 30 10 JEEE CN(CCN1CCOCC1)c1nnc(COc2ccc(C#N)cc2)n1Cc1ccc(F)cn1 1711221574 BXWQRZKHFZKJCB-UHFFFAOYSA-N 451.506 2.080 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccccc1CN1CCOCC1 1722284329 MJDUVYPYJKRWLO-IBGZPJMESA-N 459.554 2.264 30 10 JEEE C#CCN(c1nnc(C2(c3ccccc3)CCC2)n1C[C@@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1722366717 SHVBYBSULWQUFF-TZIWHRDSSA-N 455.628 2.325 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@](C)(O)[C@H](C)CC 1722446549 CZBRSOJVEFFSPX-MZNJEOGPSA-N 452.559 2.075 30 10 JEEE C=C(Br)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2nccnc2C)CC1 1722477069 AKNVLHFYXAPETQ-UHFFFAOYSA-N 484.362 2.259 30 10 JEEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1722527280 FGKPAPQDCWFKKW-UHFFFAOYSA-N 491.552 2.186 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1722733192 UCTXNJJUHPWOKW-QRVBRYPASA-N 476.647 2.420 30 10 JEEE C=CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@](C)(C(=O)NC)C1 1722738012 ZDGQELJUINKVHS-HSZRJFAPSA-N 467.599 2.074 30 10 JEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC2(CCCCCC2)C1 1740574782 NIHWDMUUWUCKED-FQEVSTJZSA-N 479.647 2.344 30 10 JEEE C#CCN(c1nnc(CC)n1Cc1cccc(C(=O)N[C@@H](C)CC)c1)[C@H]1CCS(=O)(=O)C1 1740624317 FIUHIWHOSSBJQK-PXNSSMCTSA-N 457.600 2.044 30 10 JEEE C#CCN(c1nnc(COc2ccccc2OC)n1C[C@@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1740628086 NBQKQWXSKSRUMF-OALUTQOASA-N 474.583 2.062 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)CCS(C)(=O)=O 1740756267 GOIATDLTHHIUTB-KXBFYZLASA-N 472.571 2.056 30 10 JEEE C=CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@H](S(C)(=O)=O)C1 1740871161 SDEJGYXOURYISM-INIZCTEOSA-N 466.633 2.136 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCO[C@](C)(CC)C1 1740993137 YUCONETYSBDXNS-DENIHFKCSA-N 462.572 2.397 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCn2ccnc2C1 1748651744 PSCVYIYNPOJFJX-ZWKOTPCHSA-N 467.599 2.112 30 10 JEEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2c(F)cccc2F)CC1 1748710330 MQZFKHZTMCRDSV-GOSISDBHSA-N 456.497 2.273 30 10 JEEE C#CCCCCn1c(N2CCN(c3c(C#N)c(C)nn3C)CC2)nnc1[C@]1(OC(C)C)CCOC1 1748731254 YFUDDOTWYDLHNL-VWLOTQADSA-N 480.617 2.362 30 10 JEEE C#CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1748735625 SEURDWJMXCEMJZ-KRWDZBQOSA-N 451.531 2.056 30 10 JEEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](F)c1ccc(Br)cc1 1748766034 CXIMEINQNFORDG-WFASDCNBSA-N 458.357 2.431 30 10 JEEE C#CCN(c1nnc(CC2CCCC2)n1Cc1ncccc1N(C)C)[C@@H]1CCS(=O)(=O)C1 1748820365 AIWBRGYSWLHDGL-LJQANCHMSA-N 456.616 2.147 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CCc2c(OC)cc(OC)cc2OC)CC1 1748993487 ZIDVCZFVOLPXMZ-UHFFFAOYSA-N 476.581 2.288 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)[C@@H](C)CCC)CC1 1749011121 VMPQOWDCBUDAGK-IBGZPJMESA-N 475.597 2.335 30 10 JEEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1749268505 BWTJJRMGFLNZIU-IBGZPJMESA-N 460.991 2.127 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1749660425 OYEBLMHEMWRXRU-UHFFFAOYSA-N 484.557 2.281 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cn2ccc3ccccc32)nnc1N1CCC(CC(=O)NC)CC1 1749738706 VNEJHJQISYADRX-UHFFFAOYSA-N 484.626 2.234 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC1CCS(=O)(=O)CC1 1760111295 LJAKNWBTOZVEIR-QGZVFWFLSA-N 482.610 2.348 30 10 JEEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(OCC)cc1)[C@@H]1CCS(=O)(=O)C1 1760181053 OXPVMHQBRWZKDI-HYBUGGRVSA-N 488.610 2.004 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CC1(O)CC(OCC)C1)[C@@H]1CCS(=O)(=O)C1 1760183777 RFHOVYNIEUKTBH-UZGSZPBKSA-N 472.611 2.064 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCCS1(=O)=O 1760235275 IBLYTFOJOBUICY-MSOLQXFVSA-N 481.619 2.013 30 10 JEEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CN(CC(C)C)CCO1 1760235732 VVRPEXUMHIAWIR-LEWJYISDSA-N 490.649 2.403 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3)n2CCC(=O)NCCC)CC1 1760256305 UPXRHLQKXNBGGM-UHFFFAOYSA-N 459.392 2.379 30 10 JEEE C=C(Br)Cn1c(C(=O)NC(CC)CC)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1760299772 HGPGVOKAWTXCIL-CABCVRRESA-N 453.385 2.353 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1760326382 WOKFRSNCYRYLJL-UGKGYDQZSA-N 474.631 2.153 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1-c1cnn(C)c1 1760336595 CZGZDMFKYDPLJV-QFIPXVFZSA-N 499.641 2.462 30 10 JEEE C=C(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1760344843 LSWTXTCTGWEUOZ-CQSZACIVSA-N 485.536 2.319 30 10 JEEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC2(CCC2)C[C@H]1CC 1760358246 SXPOIFZNWULWFF-MOPGFXCFSA-N 467.636 2.363 30 10 JEEE C=CC1CCN(c2nnc(Cc3csc(C)n3)n2CCS(=O)(=O)N2CCSCC2)CC1 1760404492 FJBKPOCMPAURPU-UHFFFAOYSA-N 482.701 2.415 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1760412975 VNHRVPZPJZLEAF-RBUKOAKNSA-N 478.663 2.365 30 10 JEEE C=CCC(C)(C)Cn1c(CCOc2ccccc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1760415270 SPDCUWFHIUGFFS-UHFFFAOYSA-N 480.613 2.429 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2nccc(C(F)(F)F)n2)C1 1760542934 OOYMORRVMSTKQO-KGLIPLIRSA-N 451.453 2.062 30 10 JEEE CCN(CCC1CC1)c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CCS(=O)(=O)CC1 1765208097 DDNJMKGTTNOXQM-UHFFFAOYSA-N 473.599 2.295 30 10 JEEE N#C[C@@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCN2CCCCC2)CCO1 1770746470 HAFZWBQVDUIDDQ-LJQANCHMSA-N 457.966 2.076 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C2CCC2)CC1 1772660114 JYYBJUVYFRMBAD-UHFFFAOYSA-N 475.615 2.238 30 10 JEEE C=CCN(CC=C)c1nc(=NCc2ccc(S(N)(=O)=O)cc2)[nH]c(=Nc2ccc(C)c(F)c2)[nH]1 1871581249 YXNLIAHZRKJVJA-UHFFFAOYSA-N 483.573 2.344 30 10 JEEE CC(C)N1C[C@H](c2nnc(SCC(N)=O)n2/N=C/c2ccc(C(F)(F)F)cc2)CC1=O 1874338551 UKWGRMAGEUUQCF-JJSXDFKCSA-N 454.478 2.481 30 10 JEEE CC(C)N(CC#CCNC(=O)[C@H]1CCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1)C(C)C 1891490656 MJGSLMSNFQSITI-OAQYLSRUSA-N 464.588 2.376 30 10 JEEE Cc1cccc(-n2ncc3c(=O)n4c(nc32)S[C@H](CC(=O)N2CCC[C@H]2C#CCN(C)C)C4)c1 1891633943 XLCIYSNMBVIEGQ-UYAOXDASSA-N 476.606 2.311 30 10 JEEE Cc1cc(S(=O)(=O)NC2CN(C(=O)OC(C)(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2255747688 PKACWVGKRIVFKF-UHFFFAOYSA-N 452.382 2.192 30 10 JEEE CN(CCNC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2255799342 GUPUBHBHDAEJCB-UHFFFAOYSA-N 458.361 2.270 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]1CNS(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2255950154 IFTDKCQYRMCXCP-GOEBONIOSA-N 452.382 2.177 30 10 JEEE CC(C)(C)OC(=O)N1CC(C)(OCC(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C1 2256620984 PBFFBJPEEMSADD-UHFFFAOYSA-N 453.370 2.407 30 10 JEEE C=C(CN(C)C(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)C(F)(F)F)B1OC(C)(C)C(C)(C)O1 2256677552 FQCGYEHESBLIBW-QWHCGFSZSA-N 452.279 2.449 30 10 JEEE CC1(C)OB(c2cc(C(=O)NC3(CN)CCN(Cc4ccccc4)CC3)ns2)OC1(C)C 2267150600 UTIZMNHSLGIMEL-UHFFFAOYSA-N 456.421 2.166 30 10 JEEE CN(Cc1nc(NC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)n[nH]1)C(=O)OC(C)(C)C 2267154526 XVDLYBWSJDWWHX-UHFFFAOYSA-N 464.357 2.180 30 10 JEEE CC(C)(C)OC(=O)N1CC(O)(CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)c(Cl)c2)C1 2267239445 RVNUJEFRYASGKC-UHFFFAOYSA-N 466.771 2.351 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2267364066 TWYAKHXJAUTSOA-OAHLLOKOSA-N 470.372 2.413 30 10 JEEE CC1(C)OB(c2ccc(S(=O)(=O)NCC3CCN(C(=O)C(F)(F)F)CC3)s2)OC1(C)C 2267379702 UBICXCNAUDBUAH-UHFFFAOYSA-N 482.355 2.127 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](NS(=O)(=O)Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2267464985 SUULZZNZNNWMGM-GOSISDBHSA-N 466.409 2.415 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1CCN1S(=O)(=O)Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2267469011 ZRBXUCUMFKDWCY-SFHVURJKSA-N 466.409 2.415 30 10 JEEE CC(C)(C)OC(=O)NCCCNS(=O)(=O)c1c(F)cc(F)cc1B1OC(C)(C)C(C)(C)O1 2267470743 NJJPZKMOXMBGMS-UHFFFAOYSA-N 476.351 2.457 30 10 JEEE CC(C)[C@H]1[C@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)CCN1C(=O)OC(C)(C)C 2268718112 ORQYRRQKCFADSQ-KGLIPLIRSA-N 466.413 2.479 30 10 JEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)N(C(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)C1 2281829384 XUHOYVSIKJQUQD-JKSUJKDBSA-N 462.400 2.437 30 10 JEEE Cn1cc(C(=O)N[C@]23CCC[C@@H]2N(C(=O)OC(C)(C)C)CC3)c(B2OC(C)(C)C(C)(C)O2)n1 2281965783 LRJKIYOOESBHTL-HJPURHCSSA-N 460.384 2.381 30 10 JEEE CC(C)(C)OC(=O)N1CC(O)(CCNC(=O)c2ccc(F)cc2B2OC(C)(C)C(C)(C)O2)C1 2282398699 DKFPUVSAZQGSSQ-UHFFFAOYSA-N 464.343 2.227 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](NS(=O)(=O)Cc3ncsc3B3OC(C)(C)C(C)(C)O3)[C@H]1C2 2282506950 ZSKFIHQNKQHGNG-SQWLQELKSA-N 499.464 2.260 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 2282537156 MHUOEXKDLHGXFU-HNNXBMFYSA-N 460.384 2.239 30 10 JEEE CCc1nn(C)c(C(=O)N2CCC23CN(C(=O)OC(C)(C)C)C3)c1B1OC(C)(C)C(C)(C)O1 2282562049 WQKXZNFAIOVDOR-UHFFFAOYSA-N 460.384 2.117 30 10 JEEE CC(C)(C)OC(=O)N1CCN(NC(=O)c2c(F)cc(B3OC(C)(C)C(C)(C)O3)cc2F)CC1 2282567302 LUUZAZPAUUHFJO-UHFFFAOYSA-N 467.322 2.462 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@]2(CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)C1 2282627341 MMDQPXCKARAFJM-NPMXOYFQSA-N 462.352 2.335 30 10 JEEE CC(C)(C)OC(=O)NC[C@]12CN(C(=O)c3csnc3B3OC(C)(C)C(C)(C)O3)C[C@@H]1CCO2 2282629096 RUPIYVHUMFWCNH-FPTDNZKUSA-N 479.408 2.198 30 10 JEEE C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1N(C)C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2283059167 CGSPBNUOKNBPNV-JKSUJKDBSA-N 460.384 2.493 30 10 JEEE Cc1nn(C)c(C)c1C(O)=C1C(=O)C(=O)N(CCCN2CCOCC2)[C@H]1c1cccc(F)c1 2296618203 HNHYBKGYMOGONO-NRFANRHFSA-N 456.518 2.320 30 10 JEEE COCCN1C(=O)C(=O)C(=C(O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@H]1c1ccc(C)cc1 2297743242 FHOYWTPUMNKMAH-HXUWFJFHSA-N 458.536 2.313 30 10 JEEE COc1ccc(CNC(=O)CSc2n[nH]c(=NN=C(C)C=Cc3ccccc3)n2N)cc1 2313707840 AKNYDERAUGKDDA-UHFFFAOYSA-N 451.556 2.332 30 10 JEEE CCOC(=O)[C@@H]1CCCN(c2c(C=C3SC(=S)N(C)C3=O)c(C)c(C#N)c(=O)n2C)C1 2314457699 VLBBUSQTIGUBSC-CYBMUJFWSA-N 460.581 2.176 30 10 JEEE CN(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C)[C@H]1CC[C@@H]1NC(=O)OCc1ccccc1 2315536897 OAVCAKUIBWQKAI-ROUUACIJSA-N 468.363 2.249 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@H]2NS(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2334275368 RQANFKHVLSKXMZ-ZVZYQTTQSA-N 464.393 2.272 30 10 JEEE COc1[nH]c(=N[C@H]2COCCN(C(=O)OCc3ccccc3)C2)ccc1B1OC(C)(C)C(C)(C)O1 2339787993 JAZRUIIVAAHWCZ-LJQANCHMSA-N 483.374 2.261 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](C1)[C@H](NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C2 2359268200 ZAXVJPKNAAYHRZ-BFYDXBDKSA-N 460.384 2.474 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2CN(Cc3ccccc3)CC[C@H]2C1 2362344739 WDPQEPNSEZVFBW-PMACEKPBSA-N 450.392 2.313 30 10 JEEE C=C1C[C@@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@@H]2O)C[C@@H]2CC[C@@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@H]3[C@@]12C 616590088 NEROJAIFUVJKBJ-KVOFNRGISA-N 478.582 2.042 30 10 JEEE CC(C)CCCN1C(=O)[C@@H](CC(=O)NC2CC2)S/C1=N/Cc1ccc(S(N)(=O)=O)cc1 726403937 PADCPMWKCGMIEL-QCLNCQLRSA-N 466.629 2.239 30 10 JEEE COc1cc(NC(=O)CSc2n[nH]c(NN=Cc3c(C)nn(C)c3C)n2)cc(OC)c1OC 1084087031 LLNGDCYBWKENBX-UHFFFAOYSA-N 474.547 2.358 30 10 JEEE C#CC[C@H](NC(=O)c1cn(C)nc1[C@H]1CCCN(C(=O)OCc2ccccc2)C1)C(=O)OC 1161364395 CFMBNCZTLVPGIM-ICSRJNTNSA-N 452.511 2.231 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC[C@@H](C)N(C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1286392695 JKEFMZALVBVSGE-MZYLBHOOSA-N 485.654 2.319 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C2CCN(c3ncccn3)CC2)n1CC(=O)NCC(F)(F)F 1286526324 QGIYUPSQFZGHKU-OAQYLSRUSA-N 476.507 2.123 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](O)(c2cccc(F)c2)C1 1286542744 XEWAUBGONMPNKE-AUUYWEPGSA-N 485.379 2.326 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(C(=O)NC)cc1 1286556435 PFPATXQOMNCFCK-ZVDOUQERSA-N 452.559 2.206 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H]3CCCOC3)nnc2N2CC[C@@H](S(=O)(=O)NCC)C2)cc1 1286797564 XENVXLHRWHKQGW-TZIWHRDSSA-N 475.615 2.303 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC)[C@@H](C)C1 1286798108 BTMNLMXKWVHDDV-ICSRJNTNSA-N 459.616 2.324 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2cnn(C)c2C)C1 1286808919 FLSSGOXPJFCVFX-PMACEKPBSA-N 487.605 2.458 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC2(S(C)(=O)=O)CCC2)C1 1286812455 LRTBQEMYDWGPDN-INIZCTEOSA-N 479.628 2.018 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCc2c(ccnc2O)C1 1286814938 IIZQEVKMZTVWBP-UHFFFAOYSA-N 485.566 2.226 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCCN(Cc3ccc(OC)cc3)C(=O)C2)nnc1C(C)(C)C 1286825501 RITRTPRAZOHGSC-UHFFFAOYSA-N 489.642 2.424 30 10 JEEE C[C@H]1COCCN1c1nnc(COc2ccc(C#N)cc2)n1CCNC(=O)c1cccs1 1291305293 AEXGKBKBHKKLFL-INIZCTEOSA-N 452.540 2.445 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCOC[C@@H]2C[C@@H](O)c2ccccc2)s1 1294563096 IBEINBDMKZOUGC-PKOBYXMFSA-N 450.582 2.106 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H](c1ccccc1)C1CC1)[C@H]1CCS(=O)(=O)C1 1300479344 MCTDEVQGYWKVJV-LEWJYISDSA-N 469.611 2.237 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCCCCN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1300496119 OEUREMZRMPADPT-VXKWHMMOSA-N 477.675 2.455 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1CC1(C(=O)N(C)C)CCCC1)[C@H]1CCS(=O)(=O)C1 1300499793 XCXOEHGJYOBBPU-QFIPXVFZSA-N 497.665 2.453 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C(F)(F)F)cc1C 1300538554 RTTCLSKEAYYIMO-LJQANCHMSA-N 495.527 2.059 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1(C(=O)NCC)CCC1 1300553350 DXABEBDVMYTPJY-KDURUIRLSA-N 468.602 2.428 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)(C)C)n1CCNS(=O)(=O)Cc1ccon1 1300644257 YVBLKESJDDFHBX-UHFFFAOYSA-N 474.562 2.462 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)Cc2ccc(OC)cc2)CC1 1300681405 OGKQKGDYJZXTKC-FQEVSTJZSA-N 450.587 2.157 30 10 JEEE C#CCSCCn1c(COc2cc(C)cc(C)c2)nnc1N(C)CC(=O)N1CCOCC1 1300770792 ZEBQKQXJHVCBIT-UHFFFAOYSA-N 457.600 2.135 30 10 JEEE C=CCCOCCn1c(-c2cccc(C)n2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1301249724 XVWYPRDJUQYPRJ-CVDCTZTESA-N 467.618 2.230 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1301515408 UTVFLDINDPJVEQ-HXUWFJFHSA-N 485.976 2.223 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)N2C[C@H](C)O[C@H](C)C2)C1 1301535545 LUUXCGDXFDWNGN-ZCNNSNEGSA-N 460.623 2.183 30 10 JEEE COCCN(CCC#N)c1nnc(-c2cc(F)ccc2Br)n1CCS(C)(=O)=O 1301802879 GLOXQXDLXSQUJE-UHFFFAOYSA-N 474.356 2.258 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H](C1CC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1358956276 CTRDDAGXLNCEKC-AEFFLSMTSA-N 495.447 2.003 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@](C)(O)c1cc(C)oc1C 1358976824 SDOLKPSBPYWOIC-SANMLTNESA-N 470.533 2.382 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCOC[C@H]1C 1358987910 XBYUCOISBSETOQ-CTNGQTDRSA-N 469.611 2.331 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(OC)cc3)n2Cc2snnc2C)CC1 1359047442 HHLVQUXJBUSKCB-UHFFFAOYSA-N 481.582 2.040 30 10 JEEE C#CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCCN(S(C)(=O)=O)CC1 1359051645 FXEDGICOXLVGQJ-UHFFFAOYSA-N 484.047 2.445 30 10 JEEE C#CCSCCn1c(COc2ccccc2F)nnc1N1CCO[C@@H](Cn2cccn2)C1 1359062013 TWRUSXLLHWNETG-GOSISDBHSA-N 456.547 2.465 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCS(=O)(=O)CC1 1359093555 PBXRVZBTTKJMQL-BBRMVZONSA-N 470.393 2.252 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)NC)CC1 1359103362 NIWYYIKWSDMJQY-UWJYYQICSA-N 458.538 2.439 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1359104329 AHKGKVMGVBOURJ-DFQSSKMNSA-N 467.636 2.409 30 10 JEEE C=CCC(C)(C)Cn1c(Cc2ccccc2OC)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1359190145 GQQMKXNXDYFOOK-UHFFFAOYSA-N 480.613 2.407 30 10 JEEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(c2cc(OC)cc(OC)c2)CC1 1359287828 YDNLZNSUFZBZKB-QGZVFWFLSA-N 461.588 2.100 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Br)c3)n2CCS(=O)(=O)NC)C1 1359312737 ADPWQFPTSYHKGE-MRXNPFEDSA-N 470.393 2.038 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCC(=O)N[C@H](C)CC)C1 1359318337 BTGCUNYVAVVRFC-QZTJIDSGSA-N 479.585 2.278 30 10 JEEE C#CCOCCN(C)C(=O)c1cccc(NC(=O)C[C@H]2SC(N3CCCCC3)=NC2=O)c1 1457392894 FGBBOHUZDBVABB-LJQANCHMSA-N 456.568 2.221 30 10 JEEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N2C[C@@H](O)C[C@@H](O)C2)c1 1465710207 BTPIGCUXSMSDLV-CALCHBBNSA-N 450.944 2.289 30 10 JEEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1 1467785631 FCYKRBRKXGTHFF-SWLSCSKDSA-N 452.305 2.299 30 10 JEEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccc(C)cc2O[C@H](C)CC(C)C)CC1 1469391972 UAZZMDGNWOPHMF-LJQANCHMSA-N 450.605 2.103 30 10 JEEE CCn1nc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H](CC(C)C)N(C)C)c2ccccc2c1=O 1502366366 FUYSOVRGNHWBIS-RTBURBONSA-N 478.601 2.380 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)ccc2Br)n1CCOCC)[C@H]1CCS(=O)(=O)C1 1507625164 HMRBUELNNLFQPY-HNNXBMFYSA-N 497.415 2.379 30 10 JEEE C#CCN(c1nnc(COc2cc(C)ccc2C(C)C)n1CCC(=O)NC)[C@H]1CCS(=O)(=O)C1 1507640569 TVMBVJSKVQAEQD-IBGZPJMESA-N 487.626 2.052 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(OCC)c(OC)c2)n1Cc1cn(C2COC2)nn1 1507668695 LJDBMMOHFOKAPH-UHFFFAOYSA-N 461.526 2.026 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CC(=O)NCC=C)CC1 1507734596 PQIANCDCTUAJPU-UHFFFAOYSA-N 499.413 2.284 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCc2nccs2)CC1 1507740135 IUGUDZXDMHHJRL-UHFFFAOYSA-N 466.615 2.195 30 10 JEEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1csc(CC)n1 1507775053 HGRCFBJZPOLMIC-NSHDSACASA-N 463.427 2.452 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1507804060 JPQHCRCNPNQABU-DSKINZAPSA-N 459.978 2.455 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](NC(=O)CC)C1 1507810095 ZGUXOKPWPAEEEC-GVMRPCBKSA-N 461.607 2.478 30 10 JEEE C=C(C)Cn1c(N2CCC[C@H](n3ccc(C(=O)NC)n3)C2)nnc1[C@]1(OC(C)C)CCOC1 1507835225 QHSVPBRYROVLQG-MBSDFSHPSA-N 457.579 2.292 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCCCO2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1507844898 RUPFKFLWEZXIKN-WWNPGLIZSA-N 474.650 2.491 30 10 JEEE C=CCCCCn1c(N2CCC[C@H](N3CCCS3(=O)=O)C2)nnc1[C@]1(OCC)CCOC1 1507937432 QAOBFAGYYVJJTO-UGKGYDQZSA-N 467.636 2.291 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cnn(C)c1C 1508000770 ZSRRGCLBGFBWLA-FQEVSTJZSA-N 465.583 2.335 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1508073063 LXIWWCDRMCZUGB-OAHLLOKOSA-N 478.395 2.223 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCN2CCOC[C@H]2C)C1 1508110759 UTJZXGCSEGCICP-WIYYLYMNSA-N 489.020 2.364 30 10 JEEE CCOC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(OC)CCOC2)C1 1516056248 BXONDZWEHZMSFS-XXBNENTESA-N 454.531 2.337 30 10 JEEE CNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 1517588963 HYKRWVQWFHYIPD-FQEVSTJZSA-N 450.465 2.483 30 10 JEEE CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cc(C#N)cc(N(C)C)c1 1530065836 APTLRJXMKSGBEB-UHFFFAOYSA-N 458.540 2.296 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2ccccc2F)n1CCCC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1539204999 DRJABECQSUCYQV-MSOLQXFVSA-N 491.589 2.052 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1cccnc1OCCC)[C@H]1CCS(=O)(=O)C1 1539222861 XOMDUHXPBZGZTQ-VQTJNVASSA-N 473.599 2.379 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(F)ccc2Br)n1CCCS(C)(=O)=O 1539242357 SGFRWGJECZFGRA-UHFFFAOYSA-N 453.337 2.354 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc2c(cc1OC)C[C@H](C)O2 1539323149 DDHVBHPYOCXGLZ-ROUUACIJSA-N 468.579 2.023 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2Cc2cnc(C)s2)CC1 1539484092 BRGLWAUETLWBNH-UHFFFAOYSA-N 455.613 2.413 30 10 JEEE C=CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C(=O)NC)C1)c1ccccc1 1539939584 ISOYCQDXGBJQQV-SXLOBPIMSA-N 474.631 2.211 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CCC[C@H](C(=O)OC)C1 1540864003 MKRVKSMYJIRPPA-HNNXBMFYSA-N 462.348 2.399 30 10 JEEE C=CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1540908182 RAJDMJNGIJNRBA-GOSISDBHSA-N 455.588 2.280 30 10 JEEE C#CCN1CCC[C@H](NC(=O)[C@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc(C)cc2)C1 1558329194 MLTCCJPTPUFUSD-LADGPHEKSA-N 451.592 2.324 30 10 JEEE Cc1cc(NC(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)n([C@@H]2CCS(=O)(=O)C2)n1 1562112870 CNZGRNAVIGYOCJ-LXPRWKDFSA-N 458.544 2.330 30 10 JEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccccc1CS(=O)(=O)NC(C)C 1583937911 VGLJZZNXZWTKTN-IBGZPJMESA-N 451.589 2.437 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H](OC)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1588044974 DQHJHRXXCLGRNP-NQIIRXRSSA-N 488.610 2.404 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1C[C@@H](c1ccccc1)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1588058941 FXUYPZMBEBOZEI-GOTSBHOMSA-N 485.654 2.177 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CC1CCN(CCC)CC1)[C@@H]1CCS(=O)(=O)C1 1588065463 YYGMKCXZYAHCAS-JOCHJYFZSA-N 470.643 2.013 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCN(C)CCOC)CC1 1588908317 ONGGQJSGKAKZLR-UHFFFAOYSA-N 458.994 2.143 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3noc4c3COCC4)n2C[C@H](OC)C(C)(C)C)CC1 1588923540 CTPVWWDUZAJTJG-IBGZPJMESA-N 470.574 2.033 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCc2ccc(F)cc2)CC1 1588961554 DFAFEVYZLAKWJG-UHFFFAOYSA-N 463.561 2.487 30 10 JEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 1588969164 WDVLYTSGDKBRAU-IBGZPJMESA-N 472.659 2.355 30 10 JEEE C=C(C)COCCn1c(-c2ccc[nH]2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1593730478 XWCSVUMQJKWMAY-OAQYLSRUSA-N 457.623 2.097 30 10 JEEE C=C(C)COCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCCN(S(C)(=O)=O)CC1 1593735877 SLFDSHGLFCBSGB-UHFFFAOYSA-N 458.588 2.491 30 10 JEEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C)C(C)(C)C1 1594812597 HTACWGPMAQJUHO-ZWKOTPCHSA-N 455.625 2.076 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1 1595522319 BSAADJHRFICIAA-HKUYNNGSSA-N 467.574 2.478 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CC(F)(F)CNC(=O)OC(C)(C)C)C1 1595664599 HPIRGIBAVIDSGP-OAHLLOKOSA-N 472.537 2.358 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2nc3c(s2)C[C@@H](C)CC3)C1 1595673943 LRWXFEOHVFRFSQ-HRCADAONSA-N 480.660 2.299 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N(C)C1CCC(NC(C)=O)CC1 1595812090 MWTKICVSGLPHEX-UHFFFAOYSA-N 451.637 2.495 30 10 JEEE CN(C)c1ccc(C(=O)N[C@@H]2CO[C@@H]3[C@H](Nc4nccc(-c5cccc(C#N)c5)n4)CO[C@H]23)cc1 1616133374 SAEHIBYGDQRYCM-MOUTVQLLSA-N 470.533 2.458 30 10 JEEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)CC1=O 1619937278 FNMNHSINEOUBNG-SFHVURJKSA-N 497.600 2.367 30 10 JEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1CCCN(C(=O)OC(C)(C)C)[C@@H]1C 1626829334 GMIHLEHUJBMSOD-IIDMSEBBSA-N 450.561 2.129 30 10 JEEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(C(=O)OC)cc2OCC(F)F)cc1 1633286469 CVZZSGODSQODIN-UHFFFAOYSA-N 452.435 2.281 30 10 JEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@](C)(CO)c1cccc(C(F)(F)F)c1 1640840701 CKIYHGOXNFSIIU-ORAYPTAESA-N 455.458 2.268 30 10 JEEE C=CC1CCN(CC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC(C)C)CC1 1653378286 BJTOPRPEPXZBEZ-UHFFFAOYSA-N 451.589 2.331 30 10 JEEE C#CCNC(=O)C1CCN(S(=O)(=O)c2cccc(COCC(F)(F)C(F)F)c2)CC1 1668808320 WADLBCNVTZKHDW-UHFFFAOYSA-N 450.454 2.254 30 10 JEEE C#CCOc1ccc(CNC(=O)Nc2cccc(S(=O)(=O)N3CCCN(C)CC3)c2)cc1 1674233760 GJNQDYPFYAKDIJ-UHFFFAOYSA-N 456.568 2.347 30 10 JEEE CC[C@@H](C#N)Oc1cccc(CNC(=O)N(C)CCN(C)c2ccc(S(N)(=O)=O)cc2)c1 1677670954 FPGQOMZPMIDNDJ-IBGZPJMESA-N 459.572 2.293 30 10 JEEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1689915359 YUWLOSWPEPNXQH-KRWDZBQOSA-N 498.447 2.490 30 10 JEEE C#CCN(c1nnc([C@@H](C)CC)n1CCCNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1689979848 IGJJAAMCLVOYPZ-IRXDYDNUSA-N 453.609 2.333 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@H](C)CN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1689992352 JWGSDLQSVDTGLF-IFMALSPDSA-N 485.654 2.236 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1CCN(CC)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1689992701 NXPGZJLGGWKVBM-SFHVURJKSA-N 467.636 2.360 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CCN(C)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1689993431 DJYLWOCLEOBZOJ-JOCHJYFZSA-N 470.643 2.155 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCC1(O)CCC1)[C@H]1CCS(=O)(=O)C1 1689998634 RTVVFSFUTQQCFR-IPMKNSEASA-N 464.632 2.129 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1CCc1cnc2c(Cl)cnn2c1 1690030288 RDRSWAKRGVDMJT-HKUYNNGSSA-N 453.934 2.014 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(OCC(N)=O)CC1 1690241612 VBYILWIKPIRSFH-SBUREZEXSA-N 485.585 2.414 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1690242898 DVHYZJLJJBEACG-QUCCMNQESA-N 456.595 2.244 30 10 JEEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 1690308216 GDJWXXQMOCLAMJ-GOSISDBHSA-N 454.531 2.342 30 10 JEEE C=C(Cl)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCN(CC)C(=O)C1 1690346391 SDTIFLHQNWCSLT-MRXNPFEDSA-N 468.986 2.398 30 10 JEEE CC(=O)N1CCC[C@H](Cn2c(-c3cc(Br)cn3C)nnc2N2CCO[C@H](C#N)C2)C1 1690804619 SLKUTAZWPCOMOL-DOTOQJQBSA-N 476.379 2.033 30 10 JEEE COCCN1C[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCO[C@@H](C(C)(C)C)C2)CC1=O 1698077795 DNCQBYLJXNMQTC-IFMALSPDSA-N 496.612 2.475 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1CCNS(=O)(=O)CC 1705479980 MYROJABKJOSFLB-LBPRGKRZSA-N 458.357 2.244 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1CCNC(=O)c1cccs1)[C@@H]1CCS(=O)(=O)C1 1705563994 JCXFYONCLWGRTL-QGZVFWFLSA-N 499.618 2.072 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(C)c(Br)c2)n1CCN1CCN(C(C)=O)CC1 1705577499 HTNFFWPQEWQVMO-UHFFFAOYSA-N 483.414 2.253 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[S@@](=O)C(C)(C)C 1705619493 SCAYETKRCLRBIR-RKXCMPKHSA-N 483.635 2.214 30 10 JEEE C=C(C)COCCn1c(-c2cccnc2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1705734545 SLLYPCSXGZHOTI-OFNKIYASSA-N 467.618 2.312 30 10 JEEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 1705824811 AWLPJBWXPWQHKR-GOSISDBHSA-N 471.558 2.178 30 10 JEEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCCS(=O)(=O)C1 1705844238 XYXFHXYETJUJBD-IRXDYDNUSA-N 469.608 2.034 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1705929063 ZAJYHQDURHWZSB-JOCHJYFZSA-N 469.652 2.439 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1705937122 JLGVHOFQYQJRHV-UHFFFAOYSA-N 486.642 2.094 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1cccc(OCCN(C)C)c1 1706877485 AVNGFNCTTCQICL-JPYJTQIMSA-N 489.646 2.007 30 10 JEEE Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@H](C(C)C)N2CCOCC2)cc1 1707550640 DEQWZXUBZFXRKY-FGZHOGPDSA-N 454.575 2.251 30 10 JEEE Cc1cccc(C)c1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1707573845 FVFOCDOALVWTES-OAQYLSRUSA-N 472.615 2.211 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@H]1CCO[C@@H](C)C1 1708751302 FNZPDHPKPQGBOE-HKUYNNGSSA-N 497.648 2.252 30 10 JEEE CCc1nnc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(NS(=O)(=O)CC)CC2)s1 1709018184 CRKKURBMPGNWNN-UHFFFAOYSA-N 486.627 2.187 30 10 JEEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC[C@H]2CCCCO2)CCN1S(C)(=O)=O 1712845760 CJNNWFQQLXWFDL-FXAWDEMLSA-N 458.588 2.246 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@@H](C)N1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1722364635 ISUFOLWRTIMIMR-NQIIRXRSSA-N 490.699 2.381 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC(C)(C)N1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1722368605 SEDNPVVZCQRHPX-PWRODBHTSA-N 477.675 2.309 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1CC1(C(=O)N(C)C)CCCC1 1722423464 DEEPRQOZUNVJMB-UHFFFAOYSA-N 453.543 2.408 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CCCNC(=O)c2cccc(O)c2)CC1 1722448191 VLGHPXUKSQZZNF-UHFFFAOYSA-N 480.613 2.358 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CCCN2C[C@H](C)O[C@H](C)C2)CC1 1722449257 OUHJZIUTTBNKMD-OYRHEFFESA-N 496.631 2.473 30 10 JEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1c1ccc2c(c1)OCO2 1722450910 DNQULHJBHOJTBG-RDJZCZTQSA-N 477.612 2.325 30 10 JEEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2ccc(F)c(F)c2)C1 1722528898 LUPRYUQDQYQGQJ-KXBFYZLASA-N 485.557 2.337 30 10 JEEE C=C(C)COCCn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1722530331 CVDDQRRABYGJPG-QFIPXVFZSA-N 468.602 2.289 30 10 JEEE C=C(C)COCCn1c(N2CCCN(C(=O)C3CC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1722538774 WBUQLNYSBRPESQ-DEOSSOPVSA-N 461.607 2.360 30 10 JEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccccc2Cn2cccn2)CC1 1722560361 XUIGQCPIFXCYAZ-GOSISDBHSA-N 455.588 2.338 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)c1cc2ccccc2o1 1722698678 KEMGEYBERWUVES-NVXWUHKLSA-N 457.556 2.426 30 10 JEEE C=CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(NC(=O)COC)CC1 1722740145 LBOYYVDDRJDHCS-UHFFFAOYSA-N 483.598 2.245 30 10 JEEE Cc1cc(Cn2c(C(=O)NC(C)C)nnc2N2CCCN(Cc3ccc(C#N)cc3)CC2)on1 1726438796 IBDLPXXAXQGKSX-UHFFFAOYSA-N 462.558 2.345 30 10 JEEE CCc1nc(CCn2c(-c3cccc(C#N)c3)nnc2N(CC)[C@@H]2CCS(=O)(=O)C2)no1 1727457664 BIOYGGJTVQNEMR-QGZVFWFLSA-N 455.544 2.018 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2CC(C)(C)C(=O)NC)c1 1740563855 ZFIACOCXDWOHMP-SFHVURJKSA-N 452.559 2.001 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(Cl)c1 1740589911 CJWYFFSYOOCHJY-GOSISDBHSA-N 451.980 2.314 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@@H](C)c1nc(C)cs1)[C@@H]1CCS(=O)(=O)C1 1740616522 CDAVDSDUNZFBSI-CDMIOBSGSA-N 493.655 2.126 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CC(C)(C)CN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1740624214 DRDSRAIGQLMRKI-OAQYLSRUSA-N 470.643 2.013 30 10 JEEE C#CCN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CC(=O)N(CCOC)C1 1740675765 HYCSGHRVUFQWCT-QRVBRYPASA-N 474.606 2.003 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCn2ccnc2C1 1740677285 HXPXZQDSMSUXMM-PKOBYXMFSA-N 485.589 2.126 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(OC)ccc2Br)n1C[C@]1(C)CN(C)C1=O 1740680704 LXIJYCKDLAQSDC-NRFANRHFSA-N 476.375 2.281 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCC(C)C)CC1 1740705120 BDHWFYAPIZWRSO-UHFFFAOYSA-N 464.618 2.464 30 10 JEEE C=C(Br)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1740738002 CNQOETDYKJQVJV-OAHLLOKOSA-N 490.318 2.235 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2ccsc2)CC1 1740751313 ITVMQZFVOHAHTH-SXLOBPIMSA-N 494.687 2.253 30 10 JEEE C=C(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1740781982 QJNYXYYNWYNQIM-CQSZACIVSA-N 475.475 2.273 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2cccc(Cl)c2)CC1 1740792612 JOWOVFICHTWFEK-IBGZPJMESA-N 472.977 2.438 30 10 JEEE C=CCN(c1nnc(-c2cccc(C#N)c2)n1CCS(=O)(=O)N1CCSCC1)C1CC1 1740909084 WXVSKFCYZNYAPZ-UHFFFAOYSA-N 458.613 2.350 30 10 JEEE C=CCOc1ccccc1Cn1c(Cc2ccncc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1740970952 FVMLIZUBXPIFNA-UHFFFAOYSA-N 482.610 2.349 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)CC2CCCCC2)CC1 1740995199 DEDGIIUBQFPYMA-HXUWFJFHSA-N 479.647 2.349 30 10 JEEE CNC(=O)[C@@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2C[C@H](C)O[C@H](C)C2)C1 1748131338 HKHQESRBIWBNIE-CEYNDMKZSA-N 465.602 2.278 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(OCc2ccccc2)CC1 1748751440 HNVYKDZBFQSZQL-QFIPXVFZSA-N 487.626 2.210 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCCN(C)CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1748815871 UREJKUXPNOJNFQ-KRWDZBQOSA-N 484.548 2.159 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@H]1CC(F)(F)CO1)[C@H]1CCS(=O)(=O)C1 1748820915 JEZUTNLQGRFOOE-PKOBYXMFSA-N 480.537 2.216 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1Cc1nc(C(C)C)cs1)[C@@H]1CCS(=O)(=O)C1 1748825394 YHUCLKBAJXASSV-QKLQHJQFSA-N 493.655 2.257 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@](C)(O)C(C)C)CC1 1748972654 MXSGTKIKLFENLV-QHCPKHFHSA-N 458.994 2.024 30 10 JEEE C=C(Br)Cn1c(COc2ccc(OC)cc2)nnc1N1CCN(C(C)=O)CC1 1749110030 DAYSBQKAHQJDNJ-UHFFFAOYSA-N 450.337 2.443 30 10 JEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1749210642 KULQNRQXEZLXSK-LJQANCHMSA-N 454.579 2.002 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CCN(c2cnccn2)CC1 1749652685 QXMZLQNAFIOLMO-UHFFFAOYSA-N 483.374 2.126 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C(=O)N2CCCC2)CC1 1749658693 VBPURTIKSQWZEF-UHFFFAOYSA-N 475.956 2.378 30 10 JEEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1749663480 GRUQJFYXYVEQQX-RTBURBONSA-N 493.612 2.107 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC2(S(C)(=O)=O)CCCC2)C1 1749698606 UUGQIECEGFMQPQ-GCJKJVERSA-N 468.620 2.069 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1749724923 MERZUSBKAKGAEI-NUJGCVRESA-N 493.561 2.093 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCC(NC(=O)c2ccccc2C)CC1 1749731261 ACMNDWZMONWSIO-UHFFFAOYSA-N 457.600 2.464 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2C[C@H](C)O[C@@H](C(F)(F)F)C2)nnc1[C@@]1(OC(C)C)CCOC1 1749739967 ONLIYVPGWAOOCB-FRQCXROJSA-N 496.552 2.076 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(Cc2ccccc2OC)CC1 1749740410 DJXZWKYPAZLDEB-OAQYLSRUSA-N 475.615 2.061 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1C[C@@H]1CCOC[C@H]1C 1750965183 GSLIRNHLQGUXGH-MJGOQNOKSA-N 469.565 2.426 30 10 JEEE C#CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1760153503 SSWOPQZRZXFREA-UHFFFAOYSA-N 483.598 2.306 30 10 JEEE C#CCN(c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCCC)[C@@H]1CCS(=O)(=O)C1 1760184919 ZCMCEMQTXHTXJB-LJQANCHMSA-N 493.655 2.012 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCCN(C)CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1760186515 CXRXWSHAXWHDRP-IRXDYDNUSA-N 477.553 2.031 30 10 JEEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1CCN(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1760192856 YRVSLPILSKFGEK-IBGZPJMESA-N 480.034 2.477 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCc2cc(OC)ccc21 1760210861 YCZYCBAULQTIRS-ICSRJNTNSA-N 469.611 2.480 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccccn2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1760241838 LOGDTERMULFHLP-HXUWFJFHSA-N 482.585 2.324 30 10 JEEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC(C)(C)N2CCOCC2)CC1 1760261324 OFWPNTJMWGFCPF-UHFFFAOYSA-N 466.630 2.340 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CCc2cn[nH]c2)CC1 1760267147 HISULGGOAPUVKJ-UHFFFAOYSA-N 477.569 2.284 30 10 JEEE C=C(C)COCCn1c(Cc2ccc(F)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1760357916 KMKFNEVWKPKQHN-UHFFFAOYSA-N 451.568 2.119 30 10 JEEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C)C(C)(C)C1 1760358615 XKHRPMRSOKEQSY-MSOLQXFVSA-N 455.625 2.076 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCS(=O)(=O)NC)CC1 1760401182 BTGLDJMEMHIFCY-SFHVURJKSA-N 482.651 2.344 30 10 JEEE C=CCCOCCn1c(-c2cc(Br)cn2C)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1760447924 SHMJGQZBGYAIKW-GDBMZVCRSA-N 463.380 2.354 30 10 JEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(OC(F)F)c1 1760510349 SUNILFFWYRBMBP-INIZCTEOSA-N 457.503 2.035 30 10 JEEE CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1766688594 FQBFCNAOBUOFJN-WOJBJXKFSA-N 459.572 2.404 30 10 JEEE CO[C@]1(Cn2c(COc3ccc(Br)cc3)nnc2N2CCO[C@H](C#N)C2)CCOC1 1769780567 AYNZHORUSRXGSA-XLIONFOSSA-N 478.347 2.154 30 10 JEEE N#Cc1ccc(COc2cn(Cc3cccnc3)c(CN3CCC(C(N)=O)CC3)cc2=O)cc1 1870348895 QNGCNGGCWFMBAH-UHFFFAOYSA-N 457.534 2.440 30 10 JEEE C=CCn1cc(OCC(=O)NCCCO)c(=O)cc1CNc1cccc(Br)c1 1871260175 CDUNFEDSPFJMHX-UHFFFAOYSA-N 450.333 2.286 30 10 JEEE C=CCn1c(C(=O)NC[C@H](c2ccc(O)cc2)N(C)C)cc2c(N3CCC(O)CC3)ncnc21 1873595386 AMPOYIMQEVSOOJ-JOCHJYFZSA-N 464.570 2.317 30 10 JEEE CN1CCN(CC#CCOC2CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)CC1 1890448250 QUPOOKATUJURSN-UHFFFAOYSA-N 460.427 2.414 30 10 JEEE COc1ccccc1OCC#CCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 1890829599 CLOKGHZZZOBEDM-SFHVURJKSA-N 460.527 2.434 30 10 JEEE CC(C)(C)OC(=O)NC/C=C\CNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2248288562 QUOPXFRXSPRHSQ-HJWRWDBZSA-N 458.411 2.407 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@](C)(CO)NC(=O)OC(C)(C)C)s1 2255861175 AFORMXKGTXVVLR-NRFANRHFSA-N 454.398 2.361 30 10 JEEE CCCN(CCNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)c(C)nn1C)C(=O)OC(C)(C)C 2267146984 QYMNDVJYBURYOS-UHFFFAOYSA-N 450.389 2.405 30 10 JEEE CC(C)(C)OC(=O)N1CC(CO)(NC(=O)c2cc(Cl)cc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267513078 LBWQZVIXQOPHPR-UHFFFAOYSA-N 466.771 2.351 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CN(C(=O)c2csc(B3OC(C)(C)C(C)(C)O3)c2)CC[C@@H]1CO 2267552975 KOOQTIIYEITKDP-ZBFHGGJFSA-N 466.409 2.395 30 10 JEEE CC1(C)OB(c2cncc(C(=O)N[C@@H]3CCOC[C@H]3NC(=O)OCc3ccccc3)c2)OC1(C)C 2267587963 FFTIXDLJGHYVGB-NHCUHLMSSA-N 481.358 2.195 30 10 JEEE CS[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2267598085 YXGGYDLVXBOXKM-IAGOWNOFSA-N 463.409 2.462 30 10 JEEE Cn1ncc(C(=O)N2CC=CCC23CN(C(=O)OC(C)(C)C)C3)c1B1OC(C)(C)C(C)(C)O1 2281829606 AOFPHTCPAIZXBY-UHFFFAOYSA-N 458.368 2.111 30 10 JEEE CC1(C)CN(Cc2ccccc2)[C@@H](CNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CO1 2281923098 BLYBGVWMVJTOKB-SFHVURJKSA-N 454.380 2.118 30 10 JEEE Cc1nn(C)c(C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C(F)(F)F)c1B1OC(C)(C)C(C)(C)O1 2281976385 AVHGKHVUUDYDNV-LBPRGKRZSA-N 476.305 2.213 30 10 JEEE Cc1nn(C)c(C(=O)N2[C@@H](C)CN(C(=O)OC(C)(C)C)C[C@H]2C)c1B1OC(C)(C)C(C)(C)O1 2281977208 MDXXMDKKJDCALJ-GASCZTMLSA-N 462.400 2.498 30 10 JEEE Cn1nc(C(=O)N2CCC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)cc1B1OC(C)(C)C(C)(C)O1 2281981564 ODXFWGDWCNQEGS-NVXWUHKLSA-N 460.384 2.191 30 10 JEEE Cc1c(C(=O)NC[C@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281990519 OCCVQAWPUWIZBY-JKSUJKDBSA-N 462.400 2.451 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H]1CCCN2C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2282031363 RCDJWMSXJHRQFP-IAGOWNOFSA-N 458.368 2.390 30 10 JEEE CCn1cc(C(=O)N[C@H]2C[C@H]3C[C@H]2CN3C(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2282541544 ZOIYDGYEYUITOE-XHSDSOJGSA-N 460.384 2.330 30 10 JEEE Cc1c(C(=O)NCCCOCCOCc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282589138 KYESSQGAMAAEGY-UHFFFAOYSA-N 457.380 2.381 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H](NC(=O)OC(C)(C)C)[C@H]2COC[C@H]21 2282592357 BTIOMFVTEQGRNE-QLFBSQMISA-N 479.408 2.115 30 10 JEEE Cn1ncc(CNC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)c1NC(=O)OC(C)(C)C 2282669581 VWMBVWSOHKPCJT-UHFFFAOYSA-N 457.340 2.391 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@]12CCN(S(=O)(=O)c1cncc(B3OC(C)(C)C(C)(C)O3)c1)C2 2282830090 PATDOPJBQKRCFU-QFIPXVFZSA-N 479.408 2.155 30 10 JEEE CC(C)(C)OC(=O)NC[C@H](C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1)[C@H]1CCOC1 2284041824 QALXPFZDPZXNLS-GJZGRUSLSA-N 481.424 2.236 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H](CN(C)Cc1ccccc1)C(=O)O 2284475191 UDCZOIUWWMIRPU-IBGZPJMESA-N 455.364 2.122 30 10 JEEE Cc1ccc([C@H]2C(=C(O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN2CCOCC2)o1 2297745877 DPNGPUSRVSFSSW-NRFANRHFSA-N 454.479 2.113 30 10 JEEE COc1cc(C=Nn2c(CCCOc3ccccc3)nnc2SCC(N)=O)cc(OC)c1O 2328727676 GNQPPZAVOXZMGJ-UHFFFAOYSA-N 471.539 2.472 30 10 JEEE CN(Cc1ccccc1)[C@@]1(CNC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)CCOC1 2337334945 SJMPMZPGPFEEPU-HSZRJFAPSA-N 457.405 2.463 30 10 JEEE CN(C(=O)OC(C)(C)C)[C@@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)CC12CC2 2362352318 ORPIGEOBCXPJHO-OAHLLOKOSA-N 460.384 2.191 30 10 JEEE COC(=O)c1ccc([C@@H]2/C(=C(/O)c3sc(C)nc3C)C(=O)C(=O)N2CCN2CCOCC2)cc1 103225070 FVOOWKFFTOMOPT-LAFOYAEKSA-N 485.562 2.300 30 10 JEEE COc1ccc([C@@H]2/C(=C(/O)c3ccccc3)C(=O)C(=O)N2CCN2CCOCC2)cc1OC 109286194 IOPKYFGPDBBFST-RKKARLDVSA-N 452.507 2.458 30 10 JEEE C=CCNC(=O)c1cccc(S(=O)(=O)NC2CCN(C(=O)c3ccc(OC)cc3OC)CC2)c1 515751940 GJEHYEPGXHXMEP-UHFFFAOYSA-N 487.578 2.203 30 10 JEEE CC(C)(O)CC[C@H](O)[C@@](C)(O)[C@@H]1CC[C@]2(O)C3=C/C(=N\O)[C@H]4C[C@H](O)[C@H](O)C[C@@]4(C)[C@@H]3CC[C@@]12C 1074744261 CBQFTGKSOCYQEV-KDHHOJOZSA-N 495.657 2.115 30 10 JEEE CC(=NNc1nc(SCC(=O)NCc2nnc(C(C)C)o2)n[nH]1)c1ccc([N+](=O)[O-])cc1 1084443968 PQGLDKHLBOBTSY-UHFFFAOYSA-N 459.492 2.464 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCN1CCOC[C@@H]1C 1286290589 TXEOAAAGWNAJBF-MOPGFXCFSA-N 463.586 2.244 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cn3nc(C)cc3C)n2CCc2ccn(C)n2)c1 1286312654 XSALPLRBMXSYQM-UHFFFAOYSA-N 471.569 2.172 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCCN1c1cnn(C)c1 1286421976 STPGDLFGKSDOOL-OAQYLSRUSA-N 491.621 2.214 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@@H]2CC=CCO2)CC1 1286488238 LRPSOAUGLQUMAA-FQEVSTJZSA-N 495.580 2.282 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@]2(N(C)C)CCSC2)CC1 1286489207 JUNKFQQABIMYKJ-HSZRJFAPSA-N 488.061 2.397 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCCN(CC(F)(F)F)CC1 1286548300 SKENKTOCNYZESE-SJORKVTESA-N 458.529 2.472 30 10 JEEE C=C(Cl)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC(NS(C)(=O)=O)CC1 1286622899 SWHVKJBHTITHDF-UHFFFAOYSA-N 477.816 2.317 30 10 JEEE C=CC1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)CC1 1286665030 PGHZAARWKZINOQ-IBGZPJMESA-N 454.550 2.286 30 10 JEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1286789550 HTSVIRMBPYKDCJ-SFHVURJKSA-N 469.619 2.061 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC(N2CCCC2=O)CC1 1286792414 WZJMBPSUUWTGMH-UHFFFAOYSA-N 472.977 2.404 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2(C(=O)NCC)CCC2)C1 1286799249 ULCADAWHQZZPJU-QGZVFWFLSA-N 453.547 2.013 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1286818641 LOHZWUFQQCWJEM-UHFFFAOYSA-N 460.604 2.103 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCc1cccc(C(=O)N(C)C)c1 1288124050 AEVBJZXIAOUMBZ-DEOSSOPVSA-N 451.575 2.491 30 10 JEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CCC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1300483944 PPKWMYXASNRJGS-SFHVURJKSA-N 463.991 2.140 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CC1(N(C)C)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1300489592 PSEGBVXAPJCRTH-JOCHJYFZSA-N 485.654 2.245 30 10 JEEE C#CCN(c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1300489803 SKYRWFJHQCHOMC-HXUWFJFHSA-N 482.614 2.374 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCO[C@@H]1CCCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1300506178 OKTCTWHDUSHZIE-IYWMVGAKSA-N 450.605 2.352 30 10 JEEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](c2ccsc2)N(CC)CC)CC1 1300705891 DOOQOYFPTUGJNI-OAQYLSRUSA-N 469.659 2.300 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCCCCCO)CC1 1300719348 XQBKVYWASVLVDN-UHFFFAOYSA-N 453.543 2.192 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(OC)cc3)n2CCN2CCCCC2)CC1 1300730528 ABKKUJPCVBKXHG-UHFFFAOYSA-N 480.613 2.317 30 10 JEEE C#CCSCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1300743052 GIQQTJJQEZOHME-QGZVFWFLSA-N 456.597 2.325 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1CCNc1nccc(C(F)(F)F)n1 1300779252 SNRUCSKGKKFYAJ-LJQANCHMSA-N 450.469 2.329 30 10 JEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 1301066708 TUTRIWBFCLDODF-IRXDYDNUSA-N 468.624 2.444 30 10 JEEE C=CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CC1CCN(C(C)=O)CC1 1301422641 RIIKACNDRSOKIM-UHFFFAOYSA-N 465.558 2.491 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1301503310 YPJGMZZUSAGKIF-WIYYLYMNSA-N 482.585 2.081 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N(C)C1CCC(NC(C)=O)CC1 1301514101 FBVCJASKINIQMR-UHFFFAOYSA-N 458.538 2.182 30 10 JEEE CC[C@H](C)[C@](C)(O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1305323969 DRQDVMLGIAEWJO-QMHKHESXSA-N 451.579 2.311 30 10 JEEE CCC(CC)c1cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)on1 1305713681 BDDUVVVJMBXRNN-DJJJIMSYSA-N 453.544 2.270 30 10 JEEE CCC(O)(CC)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(c2ccccc2C#N)CC1 1305851665 DRZUZAHAJKDPGG-FQEVSTJZSA-N 486.642 2.320 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@H]2CCOC[C@@H]2OC)CC1 1359031285 WOKVURCFBNFLGP-QUCCMNQESA-N 461.513 2.353 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@]2(O)CCSC2)CC1 1359047956 ZNHNBVOOKPEQIQ-IECBHUPTSA-N 475.659 2.031 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cc(OC)ccc2OC)CC1 1359178957 HSUJYJVMZDVDAG-NRFANRHFSA-N 491.614 2.079 30 10 JEEE C=CCn1c(COc2ccc(Br)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1359289405 CHOQFHHUWRQBPD-CZUORRHYSA-N 451.321 2.166 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(F)F)CC1 1359310514 YFZPNGXGZXUURO-SFHVURJKSA-N 481.569 2.180 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCN2CCCS2(=O)=O)C1 1359313917 TUAYKPRGKDSULF-YLJYHZDGSA-N 479.578 2.374 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1C[C@@H](C)C[C@H](C)C1 1359330913 GXFRDCZCIUTQLK-IRXDYDNUSA-N 480.660 2.321 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CC[C@](O)(c2ccccc2F)C1 1359334259 YNQJWYGGMCXGQD-HSZRJFAPSA-N 471.558 2.102 30 10 JEEE CC(C)(C)NC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(S(C)(=O)=O)CCC2)CC1 1359552798 BUYWUHZQPWBFEW-UHFFFAOYSA-N 499.641 2.414 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccccc1-c1cnn(C)c1 1497085043 CQVOVVNCLNUMPN-HXUWFJFHSA-N 462.558 2.374 30 10 JEEE CN(C)C(=O)CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1503362401 BBYBZZVKSFFZTD-IBGZPJMESA-N 470.599 2.089 30 10 JEEE C#CCCCCn1c(-c2ccc(C)o2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1507555555 BPXWSPZTARNCCP-UHFFFAOYSA-N 458.544 2.290 30 10 JEEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(COC(C)(C)C)c1)[C@H]1CCS(=O)(=O)C1 1507631787 GFEVMOFNPQWJQA-SFTDATJTSA-N 499.637 2.219 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](C)Oc2ccc(C)cc2)CC1 1507739382 ATMFKWGUOXKWQE-HXUWFJFHSA-N 478.597 2.142 30 10 JEEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(c2ccnc(C)n2)CC1 1507748923 QVXIMNNTLJGIRU-UHFFFAOYSA-N 497.650 2.140 30 10 JEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C(F)(F)F)C1 1507955147 VPLQEEFKMVQUCR-LSDHHAIUSA-N 451.515 2.356 30 10 JEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccc1C(F)(F)F 1508059237 RKYCKMBMDCYUEM-MRXNPFEDSA-N 459.494 2.452 30 10 JEEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1508061809 YEGMLUPESWXIEW-UHFFFAOYSA-N 482.651 2.344 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC[C@H](CNC(C)=O)C1 1508136569 TWHSFVGUAAGSMC-LJQANCHMSA-N 497.625 2.289 30 10 JEEE CCOC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(OC)CCOC2)C1 1516056246 BXONDZWEHZMSFS-CVDCTZTESA-N 454.531 2.337 30 10 JEEE CCOc1ccc(O[C@H](C)c2nnc(N(C)[C@@H](C)CC#N)n2CC2(O)CCS(=O)(=O)CC2)cc1 1516297341 IAKBGJKYVCJWLX-ZWKOTPCHSA-N 491.614 2.495 30 10 JEEE Cn1cc(-c2nnc(N3CCC(CC#N)CC3)n2CCNC(=O)Cc2cccc(F)c2)cn1 1517369932 GDJOCJOGCRYPTK-UHFFFAOYSA-N 450.522 2.307 30 10 JEEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cc(F)ccc1F)[C@H]1CCS(=O)(=O)C1 1539206184 MZDUBPFNRHKFLT-WMZHIEFXSA-N 494.564 2.272 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1Cc1cccc(C(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 1539215602 GUIQBTBQCLDJTC-KRWDZBQOSA-N 476.484 2.429 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2CC[S@@](=O)C(C)(C)C)CC1 1539434282 GZGBNYSJFLFCSL-GDLZYMKVSA-N 481.464 2.349 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2CCOc2ncccc2F)CC1 1539461367 FAURXDFTNAAJPF-UHFFFAOYSA-N 466.517 2.234 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cnn(-c2ccccc2)c1 1539670040 WOCOHIMJVQCDRS-NRFANRHFSA-N 485.614 2.247 30 10 JEEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1539965963 CNDLXDKHNOUHAY-SFTDATJTSA-N 464.680 2.141 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCSC(C)(C)C1 1540869395 LFRGCOZKKBSUBX-UHFFFAOYSA-N 467.599 2.309 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(Nc2cccnn2)CC1 1540900397 UJMCDHRJAQVYQA-UHFFFAOYSA-N 478.582 2.288 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1540901170 VGILDPWADIYHNY-UHFFFAOYSA-N 487.605 2.131 30 10 JEEE CNC(=O)[C@H]1CN(C(=O)c2cnccn2)CC12CCN(c1ccc(C#N)c(C(F)(F)F)c1)CC2 1548375205 CYESTCQRCSWSPP-GOSISDBHSA-N 472.471 2.472 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@](C)(O)c1ccsc1)[C@H]1CCS(=O)(=O)C1 1588045477 LOZKNGGRHIXSLY-NZQKXSOJSA-N 481.603 2.413 30 10 JEEE C#CCN(c1nnc(COCC)n1CCc1ccc(F)c(F)c1F)[C@H]1CCS(=O)(=O)C1 1588074762 RBFLAKCJSZWVST-HNNXBMFYSA-N 456.490 2.101 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1nnc(C)s1 1588575162 ZIYLGTJTCQCSOU-UHFFFAOYSA-N 459.963 2.156 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1ccc(C)n(C)c1=O 1588695302 GYDNPZNKLSTVQE-FQEVSTJZSA-N 484.601 2.492 30 10 JEEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2CCn2cc(Br)cn2)CC1 1588865320 SXMKJVDTNXHLJX-UHFFFAOYSA-N 484.402 2.314 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](OC)c2ccc(Cl)cc2)CC1 1588923981 SOTGOMUCOSNVFD-UXHICEINSA-N 484.988 2.236 30 10 JEEE C=CCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1594788081 GMEOTSRJDCZERR-QZTJIDSGSA-N 462.528 2.055 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCO1 1595162117 WPNIFBYFROCLRG-AEFFLSMTSA-N 467.617 2.044 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 1595522330 BWYCRBXBMOEDGK-KRWDZBQOSA-N 455.563 2.478 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1595593383 CCDRMRTZVALYAQ-QGZVFWFLSA-N 453.522 2.101 30 10 JEEE C=CCNC(=O)Cn1c(N2CCO[C@H](c3ccc(Cl)cc3)C2)nnc1[C@]1(OCC)CCOC1 1595603181 ZFIKNZMUXBFZCC-CVDCTZTESA-N 475.977 2.464 30 10 JEEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 1595878109 INOOYAYIZZGCMI-IBGZPJMESA-N 487.605 2.048 30 10 JEEE C=CCSCCn1c([C@H]2CCOC2)nnc1N1CCC(CC(=O)N2CCN(CC)CC2)CC1 1595884793 SXNXZBOQPISUDW-NRFANRHFSA-N 476.691 2.472 30 10 JEEE C#CCN(C(=O)c1cnn(CC(=O)NC2CCCC2)c1)C1CCN(C(=O)OC(C)(C)C)CC1 1634818003 LONPYFXNYZMVKA-UHFFFAOYSA-N 457.575 2.417 30 10 JEEE C#CCN(Cc1ccc(F)cc1)[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 1644484932 HEUGMIIMMZULEM-SFHVURJKSA-N 459.543 2.309 30 10 JEEE C#CCOc1cccc(Cl)c1CNC[C@@H]1CCn2ncc(C(=O)N3CCN(C)CC3)c2C1 1657860903 RADDGJZQITUEJX-GOSISDBHSA-N 455.990 2.288 30 10 JEEE C#C[C@H](NC(=O)N1CCCN(S(=O)(=O)c2cccc3cnccc23)CC1)C1CCOCC1 1682888996 XHOAQXDOOIJPAY-NRFANRHFSA-N 456.568 2.069 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccc(C)n3)n2CC2(O)CCOCC2)c1 1689870687 WQAWIKCSSWUMJM-UHFFFAOYSA-N 460.538 2.246 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cn3nc(C)cc3C)n2C[C@H](F)COC)c1 1689873647 QRKSWOKWAPAVIJ-IBGZPJMESA-N 453.522 2.180 30 10 JEEE C#CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1689910376 FJKFXIVUEPFCPI-LJQANCHMSA-N 472.615 2.326 30 10 JEEE C#CCN(C)c1nnc(COc2ccccc2OC)n1C[C@@]1(N2CCOCC2)CCSC1 1689975456 XMXMAOXUIWSRSL-QHCPKHFHSA-N 457.600 2.143 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1CCc1ccc(Br)s1)[C@H]1CCS(=O)(=O)C1 1689990856 SQXLRGCAGGEKGC-GJZGRUSLSA-N 499.456 2.475 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCCO2)n1Cc1ccccc1S(=O)(=O)N(C)C 1690045995 VAJKTRJVUVYPEU-FQEVSTJZSA-N 455.584 2.281 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCSCc1ccccc1 1690077502 PYWREOULELPJFD-LJQANCHMSA-N 463.629 2.004 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C 1690077596 RYMLBZKRHAZQMC-DLBZAZTESA-N 453.609 2.189 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC[S@@](=O)C(C)(C)C)CC1 1690117524 KLMMFMIXKJKNCM-JGCGQSQUSA-N 459.616 2.265 30 10 JEEE C#CCN1CCN(c2nnc(CSc3ccccc3OC)n2C[C@H]2CCOC[C@H]2OC)CC1 1690135428 WNSMKTDHGNEPOE-TZIWHRDSSA-N 471.627 2.386 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](c2c(F)cccc2F)N(C)C)CC1 1690146518 POWUXXJEKYCSFX-NQIIRXRSSA-N 486.567 2.329 30 10 JEEE C=CCN(CCc1ccco1)c1nnc(-c2cccn2C)n1CCN1CCN(C(C)=O)CC1 1690607111 DGCQVAUEZUVFAF-UHFFFAOYSA-N 451.575 2.276 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1690665707 MYGIYCGJHXMQAJ-LJQANCHMSA-N 492.584 2.160 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCc2n[nH]c(C)n2)C1 1690684383 DZOUIOCGVZJUQE-SFHVURJKSA-N 470.965 2.312 30 10 JEEE COc1ccc(OCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@](C)(C#N)C2)cc1 1697494886 BLYIERIEINVDIL-IIBYNOLFSA-N 462.576 2.106 30 10 JEEE COC[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCS(=O)(=O)C2)C1 1697879301 AYPMKLACQZSKMJ-OALUTQOASA-N 459.572 2.026 30 10 JEEE COCCN(CCC#N)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@H]1CCS(=O)(=O)C1 1698058300 DOFNTHRVJXBMFI-KRWDZBQOSA-N 469.571 2.136 30 10 JEEE C#CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1705529197 HHKMAMYICFQWRI-HXUWFJFHSA-N 453.543 2.203 30 10 JEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOc2ccccc2Cl)CC1 1705532861 RTBQWKKTSQLZSX-IBGZPJMESA-N 492.045 2.448 30 10 JEEE C#CCCCn1c(N2CCN(CCN3[C@@H](C)CC[C@H]3C)CC2)nnc1[C@]1(OCC)CCOC1 1705539633 XMWNEURUWGJBCB-FBLLAGFSSA-N 458.651 2.338 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC[C@@H](C)N(C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1705567353 XBVQTHLOXPLPAG-OFNKIYASSA-N 495.653 2.216 30 10 JEEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 1705658503 RKWFSDBMXUMZHZ-UHFFFAOYSA-N 453.547 2.147 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C(CC)CC)N1CCOCC1 1705675030 VOEMLDDPESRTBG-ZFGGDYGUSA-N 477.675 2.309 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2cc(C)on2)CC1 1705694786 TTXGBGKETTWIIR-QUCCMNQESA-N 457.579 2.016 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC(NC(=O)C(C)C)CC1 1705705437 HTJUBTBFKHNAOH-XMSQKQJNSA-N 458.607 2.123 30 10 JEEE C=C(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCO[C@H](CNC(C)=O)C1 1705725058 HMTGUGPQEKGHLA-LJQANCHMSA-N 462.595 2.310 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1705895471 HYECPMKOBHMAFD-GUYCJALGSA-N 469.464 2.421 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(CC2CCOCC2)CC1 1705895961 YCQWMGPRHABLTR-UHFFFAOYSA-N 490.555 2.397 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(OC)c(O)c2)C1 1705914365 MPRXKCBLOPQHGT-QGZVFWFLSA-N 450.499 2.469 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCN(CC2CCOCC2)CC1 1705933021 RCSQLZPAAOWAGN-UHFFFAOYSA-N 489.642 2.103 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1705933045 SEACVOSCEWAEFE-LJQANCHMSA-N 488.589 2.404 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](c2cccc(OC)c2)C1 1705935828 DTDIEVPJOLHALV-CTNGQTDRSA-N 476.599 2.359 30 10 JEEE CCO[C@H]1C[C@@H](N(C)c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)C1(C)C 1710597645 DYIDOBIMOJKDLN-RTWAWAEBSA-N 482.585 2.227 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCCCN(C)C)cc1 1722293909 FABSZMRMYSGLLX-QUCCMNQESA-N 459.616 2.017 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccc(C(F)(F)F)cc1)[C@H]1CCS(=O)(=O)C1 1722360247 FOWFPGYLBRKGDI-SFHVURJKSA-N 478.500 2.372 30 10 JEEE C#CCN(c1nnc(COc2cc(C)ccc2C(C)C)n1CCn1cncn1)[C@@H]1CCS(=O)(=O)C1 1722372459 WYYSVUDQLULFAS-HXUWFJFHSA-N 497.625 2.207 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cc(Cl)c(OCC)c(OC)c2)CC1 1722429440 MDLGRODMBLTQFV-UHFFFAOYSA-N 474.993 2.281 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccccc2COC)CC1 1722440578 KGUKGMXBNVDZMU-UHFFFAOYSA-N 464.595 2.220 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC[C@@H]1CCCCO1 1722446589 FBZLPEIIXFLLCX-SFHVURJKSA-N 450.543 2.237 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(N(CC)CC)nc2)CC1 1722448694 XLGRWRUJEROYQT-NRFANRHFSA-N 465.602 2.037 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1Cc1cc(C)on1 1722449953 WFUXJJKDGRMFGW-UHFFFAOYSA-N 461.526 2.496 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccn2C)nnc1N1CCC(CNS(C)(=O)=O)CC1 1722509839 ZDWHSYAVHZEXLV-AZUAARDMSA-N 462.620 2.030 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC)cc1F 1722517068 GKOBHOKURKUTAQ-IBGZPJMESA-N 467.567 2.209 30 10 JEEE C=C(C)Cn1c(COc2ccc(Br)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1722524616 HEAWFOWKVJMSET-MRXNPFEDSA-N 450.337 2.147 30 10 JEEE C=CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](S(C)(=O)=O)C1)c1ccccc1 1722593904 CGBODXJWSPDSKQ-MISYRCLQSA-N 495.671 2.262 30 10 JEEE C=CC[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1)c1ccccc1 1722595081 UANGXMIWGMEDSD-AQNXPRMDSA-N 472.615 2.107 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCS(=O)(=O)C1 1722661146 UZEXIOGNMSOZMW-KRWDZBQOSA-N 461.563 2.167 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(F)c(F)c1F 1722672144 KXJOQJZLZLJJHZ-KRWDZBQOSA-N 485.532 2.449 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN2CCCC[C@H]2C1 1722704477 UKPPVFKTHYSEFU-OALUTQOASA-N 473.622 2.327 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CCCN(C(C)C)CC1 1722728991 CSXFWXFHEXLPSS-UHFFFAOYSA-N 461.632 2.399 30 10 JEEE CC(=O)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)N(C)C2CC2)CC1 1722774559 CDNNLKQWTYXAIA-SFHVURJKSA-N 451.575 2.270 30 10 JEEE CS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(n2cc(Cl)cn2)CC1 1731017829 AEORIKNCMSXYTO-UHFFFAOYSA-N 474.978 2.057 30 10 JEEE C#CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1740578791 GLLSGWOBFYHANZ-UHFFFAOYSA-N 463.542 2.081 30 10 JEEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1C[C@H](C)N1CCN(c2ccccc2)CC1 1740601053 WDIHZACCXYLHTC-OFVILXPXSA-N 452.603 2.210 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1Cc1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1740628506 QOBHCVLMLQCEEB-QGZVFWFLSA-N 473.530 2.276 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H]2CC=CCO2)CC1 1740701278 ASLAXXCUILUJGX-HXUWFJFHSA-N 465.554 2.273 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCCCOCC)CC1 1740703654 AEHDTRJBWFIGMG-UHFFFAOYSA-N 467.570 2.499 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2Cc2ncnn2C(C)(C)C)CC1 1740708410 OLQFDUWWOGHMGR-UHFFFAOYSA-N 474.613 2.424 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CCOC)[C@@H](C)C1 1740750454 CBJNQLGCNANZRA-ZJOUEHCJSA-N 469.590 2.064 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1OCC(C)C 1740899818 JLRQPMDTYZLLRX-FQEVSTJZSA-N 463.604 2.316 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2CCNS(C)(=O)=O)C1 1740974917 QCQGGWUNYZFONK-NVXWUHKLSA-N 465.645 2.462 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(=C)CC1 1740991613 AMWDTSPFNNMBCJ-UHFFFAOYSA-N 457.604 2.209 30 10 JEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1741003511 WCRFCOAWACQRDP-GOSISDBHSA-N 480.660 2.026 30 10 JEEE Cc1nn(C)c(N2CCN(c3nnc(CC(C)(C)C)n3CC3([S@@](C)=O)CC3)CC2)c1C#N 1742668618 DNDXHHUXUHYVEU-JGCGQSQUSA-N 458.636 2.018 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C 1748672365 SPZAPWZPLYYXNE-ULQDDVLXSA-N 453.609 2.141 30 10 JEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCO[C@@H](c2ccccc2)C1 1748717673 FVEZMXRWOXUZEZ-FGZHOGPDSA-N 487.626 2.383 30 10 JEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCc1cccs1 1748718116 OLVFDENZDVCWEO-SFHVURJKSA-N 451.618 2.155 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC(C)(C)C(=O)NC 1748843083 ZYGQJMRNQDQAGR-UHFFFAOYSA-N 459.554 2.081 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2ccc(OCC)c(OCC)c2)CC1 1748989648 AETKYBLNMNYMIT-HXUWFJFHSA-N 466.586 2.025 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CCN2CCCC[C@@H]2CC)CC1 1749017061 USUFVRHKOJNCQU-QHCPKHFHSA-N 463.630 2.494 30 10 JEEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1749039370 STQDZYLZKBAMFV-NHCUHLMSSA-N 474.675 2.062 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2cccc(C)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1749136008 KGMVGBBVBKMZFX-SQJMNOBHSA-N 482.629 2.357 30 10 JEEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CN2C[C@H](C)O[C@H](C)C2)CC1 1749193281 FHVDVBCZTXNLMI-NSHGMRRFSA-N 451.637 2.082 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)OC 1749546844 FUCYPMUCPKLLTJ-LJQANCHMSA-N 481.594 2.368 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCC(=O)N2)n1CCN/C(O)=C1\N=CC=CC1=O 1749554802 ZRQQGGNMLXKECT-YGCDDZCOSA-N 467.555 2.010 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2ccccc2Cl)CC1 1749682984 FWIDPSMBXIEOLV-UWJYYQICSA-N 474.993 2.284 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCCC1(C)C 1749724315 JTQRAWGBEZKPPY-UHFFFAOYSA-N 481.644 2.175 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 1749730620 KVGSYVVCNWHPRL-SFHVURJKSA-N 483.598 2.433 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CC[C@](O)(c2ccc(F)cc2)C1 1749732078 OWBLGQWVDYTZOC-VGOFRKELSA-N 464.563 2.010 30 10 JEEE C=CCSCCn1c(-c2noc3c2COCC3)nnc1N(C)CCN1CCOC(C)(C)C1 1749752596 VVGZLUCBZNKOQC-UHFFFAOYSA-N 462.620 2.472 30 10 JEEE C=CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(C(=O)OC)CC1 1749756320 WNDWZVZOUGVHTC-UHFFFAOYSA-N 472.619 2.260 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@H]1CC(=O)N(CCOC)C1 1760111764 SRJIKTNJFFYMPF-OALUTQOASA-N 491.596 2.189 30 10 JEEE C#CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1760144306 LADITXRJLCCWDH-FQEVSTJZSA-N 477.569 2.327 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1cccc(N2CCOCC2)c1)[C@@H]1CCS(=O)(=O)C1 1760182493 JNIXDMLJWACAQS-OAQYLSRUSA-N 471.627 2.087 30 10 JEEE C#CCN(c1nnc(C(C)C)n1Cc1ccccc1CN1CCC[C@@H]1CO)[C@H]1CCS(=O)(=O)C1 1760184103 VIHLPQXSZJAMGD-PKTZIBPZSA-N 485.654 2.033 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1Cc1cnccc1OC)[C@@H]1CCS(=O)(=O)C1 1760190681 UBTZPBWNEMIOBY-LJQANCHMSA-N 469.542 2.087 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1sccc1Br 1760205597 FTGCQGHXBFDPOL-CYBMUJFWSA-N 453.387 2.125 30 10 JEEE C=CC1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1760404557 CSSITVBQWMJNMY-HSZRJFAPSA-N 460.600 2.426 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CCN2CCOC[C@H]2C1 1760519207 WDSKYTNJAFZHBD-OAHLLOKOSA-N 495.809 2.184 30 10 JEEE C=CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1 1760560240 ZKWFTBCRYYJHEL-OAQYLSRUSA-N 463.007 2.482 30 10 JEEE CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)N(C)C2CC2)CC1 1762053802 BZUQRPPDMBOPFC-PMACEKPBSA-N 478.645 2.336 30 10 JEEE CCCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)NC(C)C)CC1 1764525429 CSGMNHJSRWSSEJ-UHFFFAOYSA-N 451.575 2.474 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2ccccn2)n1C[C@@H]1CCS(=O)(=O)C1 1769818959 GOPXSPYNGILUAL-FQEVSTJZSA-N 466.567 2.299 30 10 JEEE N#C[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCc2cc(Br)ccc2F)CCO1 1771537050 GUBZWZOCHYZRIO-GDBMZVCRSA-N 463.311 2.102 30 10 JEEE N#Cc1ccccc1S(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc3c(c2)OCO3)cn1 1858288036 OUZYMPMKBGWUTQ-UHFFFAOYSA-N 458.477 2.284 30 10 JEEE O=C(O)c1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCN2CCOCC2)cc1 1862677642 FBPJFMNLPOXCDP-FQEVSTJZSA-N 454.454 2.434 30 10 JEEE COc1cc(NC(=O)[C@H](CO)NC(=O)C2CCN([C@H](C#N)c3cccs3)CC2)cc(OC)c1 1866868566 VEBFBPJAELWYST-VQTJNVASSA-N 472.567 2.158 30 10 JEEE COCCN(CCOC)C(=O)C(C)(C)NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1 1868774527 KCZBUMKHURQYOJ-GOSISDBHSA-N 450.605 2.041 30 10 JEEE COc1ccc(Cn2cc(OCc3ccc(C#N)cc3)c(=O)cc2CN2CCN(CCO)CC2)cc1 1870350683 QRCKQVGZGOFCQG-UHFFFAOYSA-N 488.588 2.466 30 10 JEEE C=CCn1cc(OCC(=O)Nc2ccccc2Cl)c(=O)cc1CN1CCN(C(C)=O)CC1 1870716238 HLGBSSFXOLPQOP-UHFFFAOYSA-N 458.946 2.369 30 10 JEEE C=CCn1cc(OCC(=O)NC[C@H]2CCCO2)c(=O)cc1CNc1cc(OC)c(OC)c(OC)c1 1870983831 YFAQTYHKAXJHAW-LJQANCHMSA-N 487.553 2.346 30 10 JEEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)Cc3ccc4c(c3)OCCO4)CC2)CC1 1889484742 MRFABRYFFCOXBU-UHFFFAOYSA-N 455.599 2.037 30 10 JEEE CC(C)(C)OC(=O)NCC1(C(=O)NCc2cccc(B3OC(C)(C)C(C)(C)O3)c2)CC(O)C1 2188013772 DTQRMRCIVBFOFY-UHFFFAOYSA-N 460.380 2.268 30 10 JEEE CN(CC1CN(C(=O)OCc2ccccc2)C1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2255609422 HIMIRANZTSTZRA-UHFFFAOYSA-N 468.363 2.060 30 10 JEEE CN(C[C@@H](O)COCc1ccccc1)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2255750026 CUFMTAZIBKNBTG-QGZVFWFLSA-N 467.418 2.246 30 10 JEEE C=C(CS(=O)(=O)Nc1n[nH]c(CN(C)C(=O)OC(C)(C)C)n1)B1OC(C)(C)C(C)(C)O1 2255802924 HHLQVNLCIONING-UHFFFAOYSA-N 457.362 2.101 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1C[C@@H](NC(=O)OCc2ccccc2)C1 2255837787 VLYLCOCOORBGLQ-HDICACEKSA-N 468.363 2.389 30 10 JEEE CN(C[C@H](O)COCc1ccccc1)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2255942135 MGPNNDRUKDVQTB-SFHVURJKSA-N 467.418 2.246 30 10 JEEE CC(C)(C)OC(=O)NO[C@H](C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1)C1CC1 2256617181 HTOMGPHUSCVGAY-HNNXBMFYSA-N 453.370 2.293 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@@](F)(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2265762616 LQDRZYRYKNKCPR-NRFANRHFSA-N 450.320 2.454 30 10 JEEE Cc1cc(C(=O)N[C@H]2COCC[C@@H]2NC(=O)OC(C)(C)C)oc1B1OC(C)(C)C(C)(C)O1 2267127546 JWJGNWOXMGRDJV-GJZGRUSLSA-N 450.341 2.299 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H](CNC(=O)OC(C)(C)C)C(C)C 2267128437 QUZKSPHEURSKNF-MRXNPFEDSA-N 450.389 2.481 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C[C@H]1CO 2267593299 KBNFAVWYWSKKPL-HOCLYGCPSA-N 466.409 2.395 30 10 JEEE Cc1cc(S(=O)(=O)N[C@H]2C[C@@H]2CNC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2267703883 DJPULMQWCAOFPT-QAPCUYQASA-N 466.409 2.486 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@H]2[C@@H](C(=O)NCc3cc(B4OC(C)(C)C(C)(C)O4)cs3)[C@H]21 2268707418 SKOAZUMXNCMFEJ-GVDBMIGSSA-N 464.393 2.298 30 10 JEEE Cc1c(C(=O)NCC[C@H]2CCN(C(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281810245 MTHZOTXYCVFEOW-INIZCTEOSA-N 462.400 2.405 30 10 JEEE Cn1ncc(C(=O)NC[C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)c1B1OC(C)(C)C(C)(C)O1 2281827558 XCYUZXHMKSLOJT-MRXNPFEDSA-N 462.400 2.486 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]3C[C@H]2[C@H]1[C@H]3NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2281990862 SJAKGJCRIDMKPA-NNXQTKTDSA-N 458.368 2.083 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@]1(O)CCCN(Cc2ccccc2)C1 2282184563 VDSHCTPMLBXCIJ-RUZDIDTESA-N 453.392 2.081 30 10 JEEE CC(C)(C)OC(=O)NC[C@](C)(NS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1)C1CC1 2282352512 PDFZUCOHAXAWPQ-QFIPXVFZSA-N 481.424 2.353 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)c(F)c2)[C@@H](O)C1 2282480033 AJNFVBNRGUXMMA-ROUUACIJSA-N 464.343 2.225 30 10 JEEE Cn1ncc(C(=O)NCc2cncc(NC(=O)OC(C)(C)C)c2)c1B1OC(C)(C)C(C)(C)O1 2282525703 RQCBGMDAJPNJRA-UHFFFAOYSA-N 457.340 2.391 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H](NC(=O)OC(C)(C)C)CC(F)(F)C2)n1 2282532157 SWLQTMDUDMSMLJ-CYBMUJFWSA-N 470.326 2.094 30 10 JEEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)CCO1 2282678524 NMWDKVUQQJURKM-QAPCUYQASA-N 461.368 2.135 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)[C@H]2CC[C@@H]21 2282696785 ILBSUDWMYMRSKA-PVAVHDDUSA-N 458.368 2.294 30 10 JEEE C[C@H]1CN(Cc2ccccc2)CCCN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282857240 FJICZYWWPWMFCJ-SFHVURJKSA-N 474.436 2.004 30 10 JEEE C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2scc(B3OC(C)(C)C(C)(C)O3)c2C1 2336501107 IPNQCAUAUNUQTF-DYVFJYSZSA-N 466.409 2.206 30 10 JEEE Cn1nc(C(=O)N2CCC3CC2(CNC(=O)OC(C)(C)C)C3)cc1B1OC(C)(C)C(C)(C)O1 2366055613 BKJALRVBNWNCCO-UHFFFAOYSA-N 460.384 2.239 30 10 JEEE COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(C)o2)cc1OC 102511654 UWCSZXCRMMPZKK-AGGMBTAESA-N 456.495 2.359 30 10 JEEE C#CCNC(=O)c1ccc2oc(N3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)nc2c1 248018641 UBFCCLYUQIQOPH-UHFFFAOYSA-N 458.927 2.355 30 10 JEEE C=CCc1cc([N+](=O)[O-])ccc1OCC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 513632463 CWBSSRPQFPXVFF-UHFFFAOYSA-N 475.523 2.039 30 10 JEEE C=CCNC(=O)CN1CCN(C(=O)c2ccccc2SCc2occc2C(=O)OC)CC1 517751694 GMXCUZGTKBWWOW-UHFFFAOYSA-N 457.552 2.419 30 10 JEEE Cc1oc(NC(=O)[C@H](C)N2CCC(N(CC(F)(F)F)S(C)(=O)=O)CC2)c(C#N)c1C 1167420117 AGYOXAOOZDQELZ-LBPRGKRZSA-N 450.483 2.383 30 10 JEEE C=CCn1c(S)nc2cc(C(=O)N[C@@H](C)[C@H](C)C(=O)Nc3ncccc3O)ccc2c1=O 1183400427 BFADRABSEHRKKS-STQMWFEESA-N 453.524 2.365 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@H](c1cccc(C)c1)N1CCOCC1 1286269779 HWRDZPHNKZCBOH-RBBKRZOGSA-N 450.587 2.354 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCCN1CCN(CC)CC1 1286288100 GFVNERHAAZITPU-IBGZPJMESA-N 462.602 2.470 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@H]1CCS(=O)(=O)C1 1286289947 NGLLIYUNGOHEAM-SJORKVTESA-N 468.583 2.129 30 10 JEEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1286300543 BBELLFWOEIPWRD-HOTGVXAUSA-N 496.431 2.359 30 10 JEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1C[C@H]1CCN(CC)C1)[C@H]1CCS(=O)(=O)C1 1286390381 AMTWJKUWLYSWPA-VXKWHMMOSA-N 485.654 2.040 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1CCCCn1cc(Br)cn1)[C@H]1CCS(=O)(=O)C1 1286392182 LCPBFVHWOYODBL-SFHVURJKSA-N 495.447 2.297 30 10 JEEE C#CCN(CCOC)c1nnc(Cc2ccc(Cl)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1286467638 ZVAKHXSPIFZNJE-LJQANCHMSA-N 466.007 2.032 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCCCO2)CC1 1286486414 FAESWCYNJRJCSE-FQEVSTJZSA-N 452.515 2.388 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC2(OCC)CCCC2)CC1 1286487654 HFWLNOQICTWUPW-RUZDIDTESA-N 473.618 2.245 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2C[C@]2(N(C)C)CCSC2)CC1 1286494663 QAIZHTRGTMBWPD-AREMUKBSSA-N 496.681 2.303 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1286546604 KCCSFPHOGLAOGP-SJORKVTESA-N 488.618 2.104 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[C@H](OCC)C(C)C)CC1 1286663258 JRMUASVWGDQJBC-PMACEKPBSA-N 469.652 2.465 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCOCC1)C(C)C 1286751012 KXAGSRDLWPPWGN-VQTJNVASSA-N 451.637 2.106 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1286783603 WHWJPUWTZLXGJH-IBGZPJMESA-N 485.566 2.043 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Br)cc2)nnc1N1CCC[C@@H](NC(C)=O)C1 1286792046 KWXUBCDODZHWOE-QGZVFWFLSA-N 491.390 2.027 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C)c2nc(C)cs2)C1 1286800725 PTESPTDVHUYHIA-CWRNSKLLSA-N 454.622 2.238 30 10 JEEE CCN1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)CC1=O 1297321320 FIWSRKBLKSKQLJ-KSEOMHKRSA-N 458.006 2.382 30 10 JEEE C#CCCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC(NS(C)(=O)=O)CC1 1300345123 PHGKVQBZXIMJRV-UHFFFAOYSA-N 461.588 2.284 30 10 JEEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1300391149 HPOKDNMHASJWOK-IBGZPJMESA-N 483.569 2.212 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1CCCNC(=O)C1CCC1)[C@@H]1CCS(=O)(=O)C1 1300487135 GWSHSDFYZKHZIL-HXUWFJFHSA-N 469.611 2.187 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1C[C@@H](C)Oc1ccccc1OC)[C@@H]1CCS(=O)(=O)C1 1300501673 MYLSKENPGUYAII-IEBWSBKVSA-N 458.584 2.333 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(F)cc2Br)n1CCS(=O)(=O)CC 1300521479 XTSIMBOWWKARKG-UHFFFAOYSA-N 453.337 2.354 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1(C(=O)NCC)CCC1 1300579134 NJRDGQVTIHDJEF-UHFFFAOYSA-N 485.592 2.444 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCc1c[nH]nc1C 1300606184 IKPXPULEBLRLFM-UHFFFAOYSA-N 455.588 2.319 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(C)o2)n1C[C@@]1(O)CCS(=O)(=O)C1 1300644192 YNRSXXHQYFOVOR-QFIPXVFZSA-N 458.515 2.175 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CC(C)(C)N2C[C@@H](C)C[C@H](C)C2)CC1 1300729084 MIPPHVRHRJIBEA-SFTDATJTSA-N 497.688 2.123 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CCNC(=O)C(C)C 1300873413 JFHUPGXZMGUMSG-MJGOQNOKSA-N 455.563 2.115 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)NCC)CC1 1300890903 IQPIGWMSSFGSJZ-FXAWDEMLSA-N 487.630 2.102 30 10 JEEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(c2ccccc2CO)CC1 1301043707 BXEKYUMXQIPEPR-HXUWFJFHSA-N 496.033 2.240 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCN(CCOC)CC1 1301485177 SNAIAIKLMYETGH-QGZVFWFLSA-N 458.632 2.202 30 10 JEEE CC(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1303171489 FEZXZPFPOCDDCY-NRFANRHFSA-N 451.575 2.128 30 10 JEEE N#Cc1cc(S(=O)(=O)N2CCN(Cc3cccc(F)c3)C(=O)C2)ccc1Br 1309200688 GKRMCZNVFLCSNB-UHFFFAOYSA-N 452.305 2.493 30 10 JEEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCCC2(C)C)CCN1S(C)(=O)=O 1316494620 CYTVLCYAEHACIJ-GAJHUEQPSA-N 472.615 2.228 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2C[C@]2(O)CCSC2)c1 1358903360 UESLLTMGNMSARB-XMMPIXPASA-N 462.579 2.188 30 10 JEEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@H]1CN(CC(C)C)CCO1 1358952088 XLVMAXCONQRJRL-VWLOTQADSA-N 479.673 2.069 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1Cc1cccnc1OC)[C@H]1CCS(=O)(=O)C1 1358967185 FTBIVQCUYOYFLX-IBGZPJMESA-N 485.541 2.075 30 10 JEEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1ccc(C)nc1 1358981549 OHWBYNRAULFSGY-UHFFFAOYSA-N 453.594 2.467 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2Cc2ccc(OC)cc2F)CC1 1359043199 KZWHLMKFHTXEPL-UHFFFAOYSA-N 450.518 2.445 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCS(=O)(=O)CC=C)CC1 1359045278 BPHCEFLZQGBJTG-UHFFFAOYSA-N 490.029 2.089 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccccc2Cl)CC1 1359046943 LRDOYPNZFZYSID-UHFFFAOYSA-N 454.962 2.068 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)cc1F 1359070451 MXHSMHARCJSNPK-DENIHFKCSA-N 461.563 2.099 30 10 JEEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1359077437 CHVVVJYJGQHCOI-MSOLQXFVSA-N 499.454 2.044 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1359096415 BIRXHCYDVKDMMK-XLIONFOSSA-N 475.619 2.015 30 10 JEEE C=C(C)COCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](C(=O)NC)C1 1359133162 MMUWKSHSDHJJER-OALUTQOASA-N 492.621 2.142 30 10 JEEE C=C(Cn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)NCCOC)CC1)c1ccccc1 1359140156 QFYGKUHKNXBFDZ-UHFFFAOYSA-N 466.586 2.093 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)NC1CCCCC1 1359277217 FSDUGYYYUDVBRL-GOSISDBHSA-N 475.615 2.457 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1359293049 FMGZHYREQBZOSG-KRWDZBQOSA-N 463.542 2.381 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCN(c2ncccc2F)CC1 1359329336 GCSJGSRVDFGQPR-UHFFFAOYSA-N 486.573 2.415 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCCN(Cc2ccccc2)CC1 1359332610 BTPIIFAJNILGRD-OAQYLSRUSA-N 459.616 2.095 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCN(Cc2cccc(C)c2)CC1 1359334253 YJFGPOBZKOPTDT-UHFFFAOYSA-N 480.638 2.495 30 10 JEEE CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](C)N2CCN(c3ccccc3C#N)CC2)cc1 1459409821 CIWCRQSXAAPMIP-SFHVURJKSA-N 455.584 2.394 30 10 JEEE C=CCOc1ccc(/C=C/C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)OC(C)(C)C)cc1OC 1460851859 ZAEAPRBEFHIEJA-SYJIQKIWSA-N 451.541 2.241 30 10 JEEE C#CC1(O)CCN(C(=O)Nc2ccc(OC)c(S(=O)(=O)Nc3ccc(OC)cc3)c2)CC1 1466682545 XYJGEOYIKLFLMB-UHFFFAOYSA-N 459.524 2.497 30 10 JEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@H](c2ccc(S(C)(=O)=O)cc2)C1 1470457677 XDKUYHNMTGEDRY-RTBURBONSA-N 450.557 2.297 30 10 JEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](CN2CCCCCC2)C1 1507574256 MHKJXBNBRMCGEM-PMACEKPBSA-N 450.653 2.394 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](c2nc(C)cs2)C1 1507588204 HIVFHFUOHQLVGT-ZWKOTPCHSA-N 478.644 2.173 30 10 JEEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1CC(C)(C)COCC)[C@@H]1CCS(=O)(=O)C1 1507635923 WGYIAYBIPYTYDR-HXUWFJFHSA-N 484.626 2.206 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccc(C)n(C)c1=O 1507714683 SIFVHZKIXSPSKO-BGYRXZFFSA-N 484.601 2.190 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CC(C)(C)N2CCC(OC)CC2)CC1 1507739687 UHAOMTDJMVQQEA-QFIPXVFZSA-N 486.661 2.375 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC2(CCCCCC2)C1 1507830729 VFNMWEVFBPHTFH-GOSISDBHSA-N 453.609 2.117 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](C)N2CCc3ccccc3C2)C1 1508109775 NYXMGLRDYYFYLW-NNMXDRDESA-N 488.658 2.116 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@H]1C 1508132571 ZUIRLYOEJFZKDW-OAHLLOKOSA-N 451.980 2.451 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1508144313 PJDSYSWEPWRJGI-SFHVURJKSA-N 490.630 2.310 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2OC)nnc1N1CC[C@]2(CCCOC2)C1 1508148047 FLUDCJAFJDEHFM-HSZRJFAPSA-N 476.599 2.473 30 10 JEEE C#CCCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1539124852 SSTVJTHGANMYIB-UHFFFAOYSA-N 490.536 2.201 30 10 JEEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cn2cc(Cl)cc(Cl)c2n1 1539180063 VZSVQKFGNSSYBQ-GFCCVEGCSA-N 453.355 2.252 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1CC1(N(C)C)CCC1)[C@H]1CCS(=O)(=O)C1 1539231714 XEDVPSMLHVOXRA-SFHVURJKSA-N 475.590 2.107 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(F)cc2Br)n1CCC(=O)N(C)C 1539405551 CVCOCQNINVXMRO-UHFFFAOYSA-N 452.328 2.411 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@](C)(O)CC)CC1 1539470498 RTGATLHBCFBJPH-FQEVSTJZSA-N 463.380 2.163 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CCN(C)Cc2ccccc2)CC1 1539484159 FBBLAGKYYYTKOA-UHFFFAOYSA-N 471.609 2.362 30 10 JEEE C=C(C)Cn1c(COc2ccc(OC)cc2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1539717745 WBDGUTZTMCSQDP-FQEVSTJZSA-N 454.531 2.208 30 10 JEEE C=C(Cl)Cn1c([C@H](C)OCCOC)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1539779433 XBYWHPJTOIZHDD-OALUTQOASA-N 469.030 2.278 30 10 JEEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)CC[C@H]2C1 1539804521 XXPHDYXMSJBULM-HOTGVXAUSA-N 466.970 2.150 30 10 JEEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 1540913113 IQTAIXLKBVDCAM-PZJWPPBQSA-N 486.690 2.415 30 10 JEEE CNC(=O)CCn1c(-c2cccc(Br)c2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1554478988 FVNXMJIRHDFUHO-UHFFFAOYSA-N 495.385 2.437 30 10 JEEE N#Cc1c(Cl)cccc1S(=O)(=O)NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1 1561204887 AXFJFYVYPPGJQN-UHFFFAOYSA-N 453.351 2.492 30 10 JEEE CN(C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1)c1ccc(C#N)nc1 1586484516 BGWGUQAZAFHVRB-UHFFFAOYSA-N 456.524 2.178 30 10 JEEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(=O)N(C)C2CCCCC2)CC1 1587879271 QPMYESPAEBSKAV-UHFFFAOYSA-N 480.661 2.466 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1588050862 WKYTXZYQHULMJD-VAMGGRTRSA-N 485.658 2.118 30 10 JEEE C#CCN(c1nnc(CSc2ccccc2OC)n1C[C@@](C)(O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1588074970 UXYIBBSIZKLKFS-WZONZLPQSA-N 490.651 2.367 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1588128367 IYYKNJDUXZLMSX-LJQANCHMSA-N 499.497 2.320 30 10 JEEE C=CCC(C)(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(CCOC)C(=O)C1 1594461721 WTEYFYIMNTXCNV-UHFFFAOYSA-N 475.615 2.246 30 10 JEEE C=CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1(N(C)C)CCOCC1 1595282345 FKXPJSVQJXCLAE-UHFFFAOYSA-N 457.575 2.466 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCN(C(=O)NCC)CC1 1595500793 FLKYPPSUHTZGLO-UHFFFAOYSA-N 490.406 2.170 30 10 JEEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1595529918 MMYJRJSOFXQIFZ-SFHVURJKSA-N 463.586 2.432 30 10 JEEE CC(=O)N1CCN(CCn2c(-c3ccc(Cl)nc3)nnc2N(CCC#N)CC2CC2)CC1 1596282045 AFSRTSHYDZAENZ-UHFFFAOYSA-N 456.982 2.288 30 10 JEEE COc1ccccc1-c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCC(=O)NC(C)C 1619398331 FVYWHDNYJKXYAR-SFHVURJKSA-N 489.584 2.245 30 10 JEEE C#C[C@@H](CO)NC(=O)Nc1ccc(N2CCCC2)c(S(=O)(=O)Nc2ccccc2OC)c1 1622730231 GRKRFEMYVXOSCK-INIZCTEOSA-N 458.540 2.212 30 10 JEEE C=CC[S@](=O)(=NC(=O)Cn1cc(S(=O)(=O)N(CC)CC)ccc1=O)c1ccccc1 1627430109 MMRFJWYPDVBDIA-GDLZYMKVSA-N 451.570 2.119 30 10 JEEE C=C(Cl)C[C@H](NS(=O)(=O)c1ccc(NS(=O)(=O)C(C)C)c(F)c1)C(=O)OCC 1663611369 QSOUGUWKWVFNIY-HNNXBMFYSA-N 456.945 2.328 30 10 JEEE C=CCCn1cc(CN2CC[C@@H]3[C@H](C2)NC(=O)N3C2CCN(C(=O)OC(C)(C)C)CC2)nn1 1665001247 ZXUJGRSTXQAJDW-VQTJNVASSA-N 459.595 2.222 30 10 JEEE C#CCN(C(=O)NCc1cc(Br)ccc1OC(F)F)[C@@H]1CCS(=O)(=O)C1 1668110940 BJOMVGBFSKPPPV-CYBMUJFWSA-N 451.289 2.382 30 10 JEEE C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CN(Cc3ccccc3)CC[C@H]2CO)cc1 1676356090 CGNGGZBEEHZURN-ZWCUEREDSA-N 456.568 2.377 30 10 JEEE C#CC[C@H](COC)NC(=O)N1CC[C@@H](c2ccc(OC)c(F)c2)[C@@H](NC(=O)C(F)(F)F)C1 1683130659 MOFOOKXNTGQDRA-VYDXJSESSA-N 459.440 2.419 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(N2CCOCC2)CC(OCC)C1 1689831967 UXAFOEYHUDSHGC-RZYTXNSXSA-N 475.634 2.047 30 10 JEEE C#CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(C(=O)NCC)CC1 1689886642 BJNTVPKLUKRMFH-UHFFFAOYSA-N 476.585 2.330 30 10 JEEE C#CCN(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1CCN1CCCS1(=O)=O 1689972555 TTWVCGDKHCBDBC-UHFFFAOYSA-N 466.007 2.356 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1CCn1cc(C)cn1)[C@H]1CCS(=O)(=O)C1 1689983917 IKIAFWDXDQQCNU-SFHVURJKSA-N 489.001 2.439 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H](C)c2nccs2)CC1 1690137878 KTAPMPDQSZYKHE-HXOBKFHXSA-N 472.615 2.156 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CC(F)(F)CNC(=O)OC(C)(C)C)CC1 1690150560 MIEIOBDDUHZICF-UHFFFAOYSA-N 480.560 2.356 30 10 JEEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1690643526 FHDXGQWRHBJQMP-INIZCTEOSA-N 468.624 2.049 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1690665898 SVLLAQJJEKENKM-UHFFFAOYSA-N 461.954 2.353 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1C[C@@H](OC)C(C)(C)C1 1690724184 JROBIBCWSPKMKX-RBUKOAKNSA-N 462.572 2.253 30 10 JEEE CC(C)CN1CCC[C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3ccc(C#N)cn3)CC2)C1 1692417082 GBSIZQRZDDWGBC-JOCHJYFZSA-N 493.660 2.378 30 10 JEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1705527272 YKBRDSDWONTFAW-JXQFQVJHSA-N 487.626 2.382 30 10 JEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 1705532207 IRBWCVABPMLWHE-RTBURBONSA-N 470.599 2.152 30 10 JEEE C#CCN(c1nnc(-c2cccc(Br)c2)n1C[C@@H](F)COC)[C@H]1CCS(=O)(=O)C1 1705561982 WOQJOMNNHSPNJI-SJORKVTESA-N 485.379 2.319 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@@H](CC(C)C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1705569384 GNWQYIVAENTZAH-WOJBJXKFSA-N 478.688 2.237 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1ccnc(C(F)(F)F)c1 1705576832 QYHCPYAFCDXLMO-UHFFFAOYSA-N 463.427 2.456 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(=O)N(C)C1CCCCC1 1705606726 DIUVIGWOWOHGAV-UHFFFAOYSA-N 486.642 2.446 30 10 JEEE C#CCN(CCOC)c1nnc(Cc2c(F)cccc2F)n1CC1(O)CCN(C(C)C)CC1 1705629546 LTPMBJLZBGUFIJ-UHFFFAOYSA-N 461.557 2.468 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC2(CC)CCOCC2)CC1 1705645204 NUGUETDXGLGRER-RUZDIDTESA-N 473.618 2.103 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@H]2CCN(CC(F)(F)F)C2)CC1 1705649137 LRVGYHBTJBCANY-KRWDZBQOSA-N 475.519 2.190 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2cc3c(cc2OC(F)F)OCO3)CC1 1705653074 XZQFIHVJLJZWHK-UHFFFAOYSA-N 491.495 2.159 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCCOc1ccccc1C 1705725512 FHXYAISSSAPTAI-HXUWFJFHSA-N 463.604 2.401 30 10 JEEE C=C(C)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1C[C@H](C)O[C@H](COC)C1 1705727899 HMHXAEUOMWLGFZ-GMAHTHKFSA-N 454.619 2.459 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1705898828 YYXYVEGTNOQAIE-BVZFJXPGSA-N 485.585 2.429 30 10 JEEE C[C@H](CC#N)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCn1cc(Cl)cn1 1706748328 HSTAILMOZFMSSP-CQSZACIVSA-N 451.922 2.480 30 10 JEEE C#CCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(CC(=O)NC2CC2)CC1 1722326935 IJYPMRDHLLGOPN-GOSISDBHSA-N 454.550 2.371 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1CCOCC(F)(F)C(F)F)[C@@H]1CCS(=O)(=O)C1 1722358901 NKGVHRNKBFOUCV-CYBMUJFWSA-N 454.490 2.119 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H](C)Oc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1722362029 RFTDDDSJSRNJBB-UYAOXDASSA-N 468.583 2.081 30 10 JEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1Cc1ccc(F)cn1)[C@@H]1CCS(=O)(=O)C1 1722372049 OLOOEZYUJJBXIK-OAQYLSRUSA-N 483.569 2.281 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(CN2CCCCC2)cc1 1722389945 NYCBEZWMFYWJMY-OAQYLSRUSA-N 482.654 2.385 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1C[C@H](C)N1CCN(c2ccccc2)CC1 1722424900 DLUKBVCXYOGQAH-NRFANRHFSA-N 460.586 2.032 30 10 JEEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 1722527318 GGNQBRGGSIKCIB-KRWDZBQOSA-N 459.547 2.080 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](Oc2ncccc2F)C1 1722536328 DGQDIRRBDUXDSJ-ZWKOTPCHSA-N 479.578 2.355 30 10 JEEE C=CCCOCCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1722622461 NEGWXWRJXLLQIN-OAHLLOKOSA-N 472.409 2.262 30 10 JEEE C=CCN(Cc1cccs1)c1nnc(-c2cccn2C)n1CC1(O)CCS(=O)(=O)CC1 1722662225 FGUCAPJJFOXECE-UHFFFAOYSA-N 461.613 2.477 30 10 JEEE CC(C)CN1CCO[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@@H](CC(N)=O)C2)C1 1723475021 DLKYLCKMGMBOMO-GMAHTHKFSA-N 495.628 2.177 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1CC1CCCC1 1723951397 BVYATXISWXOJSG-QGZVFWFLSA-N 457.604 2.277 30 10 JEEE CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(Cc2csc(C)n2)CC1 1728198155 CYLZGSHXLWDMPP-UHFFFAOYSA-N 464.599 2.430 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C)s2)c1 1740562458 NLPBGCDPWPSLKA-MRXNPFEDSA-N 486.623 2.363 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2CC(C)(C)N2CCOCC2)c1 1740563186 QVRIANVZCFPFPD-UHFFFAOYSA-N 461.570 2.440 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CCC[C@@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1740617589 UBBGKPHNDPFTMH-HFMPRLQTSA-N 494.658 2.295 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCc1nc(C(C)(C)C)cs1)[C@@H]1CCS(=O)(=O)C1 1740627634 RPFWSMIXFNVVOC-IAGOWNOFSA-N 477.656 2.405 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@H]1CCCCN1CC)[C@@H]1CCS(=O)(=O)C1 1740628430 QIFWQZHWOKLMRU-WOJBJXKFSA-N 489.617 2.497 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1nccc(C(F)F)n1 1740684115 KCUFRKCDQUKLCS-UHFFFAOYSA-N 480.479 2.054 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(NC(C)=O)nc2)CC1 1740706124 RLSSDQUHHSUATH-UHFFFAOYSA-N 451.575 2.234 30 10 JEEE C=CCC(C)(C)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCN(C(=O)COC)CC1 1740849641 QKUSKYDCNGIQLE-UHFFFAOYSA-N 451.575 2.414 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@H](CN(CC)CC)C1 1740955587 YXORQQLXRYZOCK-GOSISDBHSA-N 454.575 2.187 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1740962197 VQSIHKHIRMEKQM-ROUUACIJSA-N 469.590 2.306 30 10 JEEE Cc1noc(CCCn2c(-c3cccc(C#N)c3)nnc2N2CCC(S(C)(=O)=O)CC2)n1 1742893758 AKTFUBHPNXRZHS-UHFFFAOYSA-N 455.544 2.154 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CCN(C)C2CCCC2)c1 1748693024 VTBSJBKQARMDFX-NRFANRHFSA-N 463.586 2.160 30 10 JEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1748735575 RDBZXPMJWHOKCA-BGYRXZFFSA-N 488.658 2.154 30 10 JEEE C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@H]1CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1748804179 DZRZDRHSRCMGID-OTWHNJEPSA-N 452.621 2.455 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCN1CCC[C@@H]1C 1748868673 DEYYLGYZXIFTCL-IBGZPJMESA-N 467.643 2.494 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CN(CC(C)C)CCO1 1748914200 BLBSKSQYMGGGLN-OAQYLSRUSA-N 488.658 2.012 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCOCC(F)(F)C(F)F)CC1 1748990531 YFRDMNWXSDPLAP-SFHVURJKSA-N 483.466 2.463 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(COCC)cc2)CC1 1749001512 UXWPFTGPIWLBHI-GOTSBHOMSA-N 453.587 2.342 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1749129745 HQMZWJXPPKJJLA-HBFSDRIKSA-N 467.636 2.014 30 10 JEEE C=CCCOCCn1c(Cc2cccnc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1749459941 WOFTVAQILHRXQK-UHFFFAOYSA-N 461.574 2.097 30 10 JEEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)Cc1ccoc1C 1749652105 IEYSRXFOTCMGAU-UHFFFAOYSA-N 471.587 2.387 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1749681075 WLAOKQOTJJLUCM-HXUWFJFHSA-N 476.585 2.363 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1749726740 CNSXTHASIADWFS-UHFFFAOYSA-N 480.550 2.089 30 10 JEEE C=CCSCCn1c(Cc2csc(C)n2)nnc1N1CCCN(S(C)(=O)=O)CC1 1749762561 YDLWOWQEXAMPGW-UHFFFAOYSA-N 456.663 2.025 30 10 JEEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1760129664 VEHXLGUHZQKFEN-PMACEKPBSA-N 451.575 2.276 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCSCc1ccccc1)[C@H]1CCS(=O)(=O)C1 1760188641 LFWNKWVPVPUETO-FQEVSTJZSA-N 470.624 2.239 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1Cc1ncccc1C)[C@H]1CCS(=O)(=O)C1 1760191322 FNNQTSKMTIIISY-FQEVSTJZSA-N 476.562 2.107 30 10 JEEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cccc(NC(=O)[C@H]2CCCO2)c1 1760197060 WAUREXRXLVNZPQ-ATIYNZHBSA-N 477.565 2.169 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H](C)N1CCN(CC)CC1 1760214454 PQSXJOVRSKUUNK-NRFANRHFSA-N 462.598 2.205 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccncc2Cl)CC1 1760266400 XNJUVSFQKIPVFL-XMMPIXPASA-N 487.004 2.381 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@H](c2ccccc2)N(C)C)CC1 1760273169 KGTIKXMHRZFSCW-FGZHOGPDSA-N 450.587 2.398 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(C(=O)N(CC)CC)CC1 1760515881 HOMVRQQWWKTWPM-GOSISDBHSA-N 487.580 2.443 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1760518276 OKHLQMUVDJSISX-OBWXTZQISA-N 471.558 2.037 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CN(Cc3ccccc3)CCO2)C1 1760533028 AHEFJQWRNXDONW-FCHUYYIVSA-N 468.602 2.099 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](CC)c2ccccc2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1760550578 BWUKJXGMXQLQNY-PCCBWWKXSA-N 471.627 2.478 30 10 JEEE CC(C)C(=O)NC[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCO[C@@H]2C)C1 1760843243 AHSMSCRKVUDTLD-BNIKKZEQSA-N 496.612 2.257 30 10 JEEE CC(C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCOc1ncccc1F 1760933255 DPCSUDULGHOGTC-MRXNPFEDSA-N 451.510 2.391 30 10 JEEE CC(C)CCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N(C)C)nc1 1761077595 CUMNQFIWAWXGGD-LJQANCHMSA-N 459.620 2.456 30 10 JEEE Cc1ccc(SCCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@](F)(C#N)C2)cc1 1761881844 DWUJHBINCMDBCY-RXVVDRJESA-N 494.618 2.154 30 10 JEEE N#C[C@@]1(F)CCN(c2nnc(COc3ccccc3F)n2CCS(=O)(=O)CC2CC2)C1 1771530228 FLAJXBNKKRWVPT-FQEVSTJZSA-N 451.499 2.263 30 10 JEEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1cccc([N+](=O)[O-])c1 1862609850 WNZVDQXSKRMHDF-FQEVSTJZSA-N 467.434 2.080 30 10 JEEE C=CCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccc(OCCCCCC)c(OC)c1 1865721799 BOIFMHNETZCFGT-LJQANCHMSA-N 498.580 2.049 30 10 JEEE CN(C)c1cccc(NC(=O)[C@@H](CO)NC(=O)C2CCN([C@H](C#N)c3cccs3)CC2)c1 1866866791 KQWLRPRCQHUROQ-WOJBJXKFSA-N 455.584 2.207 30 10 JEEE COc1ccc(CCN2C[C@H](C(=O)Nc3c(C#N)nnn3Cc3ccc(F)cc3)CC2=O)cc1OC 1870109565 YPCATNYKGJKXHK-GOSISDBHSA-N 492.511 2.384 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)Nc2ccccn2)cn1CCCN1CCCC1=O 1870497885 BXOFIWUZMASTIT-UHFFFAOYSA-N 479.581 2.447 30 10 JEEE COc1ccc(N2C[C@@H](c3nnc(SCC(N)=O)n3/N=C/c3ccccc3[N+](=O)[O-])CC2=O)cc1 1874199064 DNNIBONTOPZAGC-OWLNGIFZSA-N 495.521 2.175 30 10 JEEE CC(C)N1C(=O)CS[C@@H](C(=O)N2CCC(C(=O)NC3CC3)CC2)[C@H]1c1ccc(C#N)cc1 1890192923 KOYQHTNNPPOQSY-FGZHOGPDSA-N 454.596 2.469 30 10 JEEE C#CCN(CC#C)C(=O)c1cc(I)cc(I)c1O 1924393504 MVBBRNALFHAASR-UHFFFAOYSA-N 465.028 2.310 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CCC(N)=O)C(=O)N1CCC(=CB2OC(C)(C)C(C)(C)O2)CC1 2141246911 DNGLKFCIWYEHPW-MRXNPFEDSA-N 451.373 2.325 30 10 JEEE Cn1nc(C(=O)N[C@H]2CC[C@H]2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2255648493 CLYOKFQDJGSEIN-NWDGAFQWSA-N 454.764 2.158 30 10 JEEE C=C(CS(=O)(=O)NC1CC(COC)(NC(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2255801598 OIUIYIFYNNRNSC-UHFFFAOYSA-N 460.402 2.166 30 10 JEEE C=C(CS(=O)(=O)Nc1cnn(CCNC(=O)OC(C)(C)C)c1)B1OC(C)(C)C(C)(C)O1 2255955541 PMGNZIHWRNUGNA-UHFFFAOYSA-N 456.374 2.337 30 10 JEEE CC(C)(C)OC(=O)N[C@](C)(C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1)C(C)(C)O 2256614544 OGCDATXLIMZNSZ-HXUWFJFHSA-N 455.386 2.435 30 10 JEEE C[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2256628953 OPKVGGSTIWRECF-ZENOOKHLSA-N 454.398 2.499 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)CC1 2256637376 UCVSGKYMHYABOQ-UHFFFAOYSA-N 452.386 2.205 30 10 JEEE C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)CCO1 2267157940 DKYYBZQHSHKOIX-UKRRQHHQSA-N 467.397 2.197 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1COC[C@@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2267454325 TYDXDKLQXNWUNW-IRXDYDNUSA-N 450.316 2.147 30 10 JEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N(CCC(C)(C)O)Cc1ccccc1 2267717463 DLNBHSNJWMWPCP-UHFFFAOYSA-N 463.409 2.071 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CC(C(=O)N=c3nc(B4OC(C)(C)C(C)(C)O4)[nH]s3)C[C@H]2C1 2268681020 YQSPVKGWDMDTMR-KBPBESRZSA-N 464.397 2.091 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 2281980751 KOVZNFNMZBZJCE-QFIPXVFZSA-N 481.424 2.243 30 10 JEEE Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1CO 2282116998 LNJCMLAPVLOXHX-QGZVFWFLSA-N 460.380 2.348 30 10 JEEE C[C@H]1CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)nn2C)[C@@H](C)CN1Cc1ccccc1 2282343572 QJLGJISJGDFMSB-ROUUACIJSA-N 474.436 2.003 30 10 JEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2282396199 WMGUCSKXQOMVNX-QZTJIDSGSA-N 464.343 2.489 30 10 JEEE Cc1nc(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)s1 2282524127 ANJKHYKLQLPKDO-KKUMJFAQSA-N 479.408 2.115 30 10 JEEE C[C@@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)C[C@@]1(C)CNC(=O)OC(C)(C)C 2282532683 ASXAVUWLYDZPLN-IQMFZBJNSA-N 462.400 2.342 30 10 JEEE CC1(C)OB(c2cc(C(=O)N3CC[C@](CNC(=O)C(F)(F)F)(C4CC4)C3)ns2)OC1(C)C 2282599120 QXCAGFPOIGYBFK-LJQANCHMSA-N 473.326 2.363 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)N2Cc3ccc(B4OC(C)(C)C(C)(C)O4)cc3C2)C1 2284044994 HUYXFIVGUAJTFO-DEOSSOPVSA-N 458.364 2.200 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@@]2(C(=O)NCc3cnc(B4OC(C)(C)C(C)(C)O4)s3)CO[C@H]1C2 2284133980 XPPMIYZHMGGJPZ-DFFLPILJSA-N 479.408 2.131 30 10 JEEE Cc1cnc(C(=O)N[C@@H](C(=O)O)[C@@H](C)OCc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)c1 2284468678 DSQLKQYMWLLGMM-VQIMIIECSA-N 454.332 2.478 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)n1C 2362575648 XGNYQVTVTLKPRO-INIZCTEOSA-N 462.400 2.357 30 10 JEEE COc1ccc(/C=N/Nc2nnc(SCC(=O)NCc3ccc(F)cc3)n2N)cc1OC 20292816 MUTCFRCTKHAERO-BHGWPJFGSA-N 459.507 2.003 30 10 JEEE COc1cc(NC(=O)CSc2nnc(N/N=C/c3ccc(N(C)C)cc3)n2N)cc(OC)c1 20527631 WSRJSJLJJSSLJA-FSJBWODESA-N 470.559 2.252 30 10 JEEE COC(=O)[C@]1(N2CCOCC2)/C(=C(\O)c2ccc(Cl)cc2)C(=O)C(=O)N1c1ccccc1 102501295 OBSCKFPKXBTPHG-HYFYUXENSA-N 456.882 2.427 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@H]1CCCN(c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 215690212 KSYCKQKPHZMJKU-WMZOPIPTSA-N 489.426 2.116 30 10 JEEE CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 523236251 HKALGAUIQZDGCJ-OAQYLSRUSA-N 463.538 2.348 30 10 JEEE C=CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCNC(=O)[C@H]1CC(=O)O 757248822 KYXLYWZQYNPNFR-FGZHOGPDSA-N 477.517 2.272 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)NCCCCN2C(=O)c3ccccc3C2=O)ccc1F 1126164305 WQESBMUWYYJEHH-UHFFFAOYSA-N 459.499 2.096 30 10 JEEE N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCc3c(F)cc(Br)cc3C2)c1 1160980545 DNTNBMPKXTXACI-UHFFFAOYSA-N 452.305 2.323 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1CC[S@@](=O)CC)[C@@H]1CCS(=O)(=O)C1 1286388334 NNLODLVXHXJWQD-JTBPQFFMSA-N 485.031 2.002 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1CCC[C@@H](O)C1)[C@@H]1CCS(=O)(=O)C1 1286388345 NQTYKIKYMIZBBK-MISYRCLQSA-N 488.610 2.140 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCOc1ncccc1Cl 1286405015 YNYCNCQHZLUSBF-UHFFFAOYSA-N 459.901 2.121 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@@H]2CC(=O)N(CCOC)C2)CC1 1286471203 HMVQAUVBXZDUCS-XZOQPEGZSA-N 494.640 2.285 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H](C)N(C)C2CC2)CC1 1286489161 IATFAKQJGUHLES-MRXNPFEDSA-N 455.994 2.442 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CCN2CCCC[C@H]2CC)CC1 1286493139 FFLOJZNZYGKWOT-HSZRJFAPSA-N 463.630 2.494 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1286563148 CDGCKLCDMYZIGK-UWJYYQICSA-N 479.578 2.059 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)C[C@H]1c1cccc(OC)c1 1286786993 ABWIBDSLUWKVAI-POAQFYNOSA-N 473.599 2.079 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC(O)(c3ccccc3Cl)CC2)nnc1[C@@]1(OCC)CCOC1 1286793616 ZNCDBIUNAAJYCB-XMMPIXPASA-N 490.004 2.374 30 10 JEEE C#CCNC(=O)CN1CCCN(C(=O)c2nn(-c3ccc(Cl)c(F)c3)c3c2CCC3)CC1 1292889899 OGFMJXZARPKFTK-UHFFFAOYSA-N 457.937 2.051 30 10 JEEE CCCn1nc(-c2nnc(N(C)[C@H](C)CC#N)n2CCCS(C)(=O)=O)c2ccccc2c1=O 1294763793 GAIXSXJTBRFWIQ-MRXNPFEDSA-N 471.587 2.238 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCNC(=O)c1cccc(C)c1 1300299911 UVEGFKKTGWUUKI-GOSISDBHSA-N 479.610 2.435 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(OC)CCCC2)c1 1300334532 OTRVEGNFXKMDNH-IBGZPJMESA-N 485.610 2.196 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1cccc(Br)n1)[C@H]1CCS(=O)(=O)C1 1300487225 IFWGJKLXYYQLJF-HNNXBMFYSA-N 475.372 2.106 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccccc1)N1CCCC1 1300578043 GCKFAXWLUMIVJA-GOTSBHOMSA-N 465.623 2.480 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2C[C@H](C(CC)CC)N2CCOCC2)CC1 1300698589 VTOHUWFDCNWQOH-DHIUTWEWSA-N 458.651 2.412 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cc(C3CC3)ccc2F)CC1 1300710877 ORIZWEQAQWYDTE-UHFFFAOYSA-N 466.561 2.447 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](c2ccc(C)cc2)N(C)C)CC1 1300710969 QVVWPNDTYKDZPZ-QHCPKHFHSA-N 491.640 2.091 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2CC2(SC)CCOCC2)CC1 1300711297 WYJVVJANGGVPNA-UHFFFAOYSA-N 490.674 2.075 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2CCS(=O)(=O)c2ccccc2)CC1 1300728842 HBIYTJYGTVVPAG-UHFFFAOYSA-N 497.646 2.370 30 10 JEEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCOC[C@H](C2CCC2)C1 1300830601 HIGVSRZGUFVSEL-DZGCQCFKSA-N 462.414 2.050 30 10 JEEE C=CCC(C)(C)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCO[C@@H](C(=O)NC)C1 1301138757 FFGOUMZEUINRRJ-QGZVFWFLSA-N 489.646 2.100 30 10 JEEE C=CCN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1301305168 QSRWRGJQVPDTCF-OAHLLOKOSA-N 458.510 2.155 30 10 JEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)Oc1ccccc1)C1CC1 1301327864 ZIANDMNMXLFXHF-FXAWDEMLSA-N 461.588 2.233 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1301342569 XYOPLDPGTZCQSW-FQEVSTJZSA-N 495.609 2.400 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@]2(C)CN(C)C2=O)C1 1301566628 AFXDAICFANEKKB-ZBLHWPFVSA-N 474.606 2.308 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1301588769 JDHZZAYQUKKATL-HOTGVXAUSA-N 465.542 2.193 30 10 JEEE CC(=O)N(C)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2snnc2C)CC1 1301643243 CPNCDDZMLRJYDS-UHFFFAOYSA-N 466.571 2.384 30 10 JEEE N#C[C@H]1CN(c2nnc(CSc3ccc(Cl)cc3)n2CCC(=O)N2CCOCC2)CCO1 1303008874 BSBIYHIWEPDPDS-KRWDZBQOSA-N 476.990 2.201 30 10 JEEE C[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)[C@H](c1ccccc1)N(C)C 1312656794 DBMTWJHXASRYHK-PGRDOPGGSA-N 455.584 2.266 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1358888146 HXMSSFIJMVGLAT-QNWGQDPCSA-N 497.600 2.377 30 10 JEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@H](COC(C)C)C1 1358923009 ZDSMQMDXBHXWEU-HXUWFJFHSA-N 475.615 2.239 30 10 JEEE C#CCN(c1nnc(-c2ccccc2)n1CCOCC(F)(F)C(F)F)[C@@H]1CCS(=O)(=O)C1 1358959169 CXNVYWIVWJDZHS-MRXNPFEDSA-N 474.480 2.489 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1cc(C)cc(OC)c1)[C@H]1CCS(=O)(=O)C1 1358965612 YEQVZDZHVXLWKJ-NRFANRHFSA-N 465.579 2.256 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1C[C@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1358978284 IJGJQDPYMNYJIW-ANULTFPQSA-N 469.586 2.269 30 10 JEEE C#CCN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1359001551 XJQPGKNPNTWCRB-DEOSSOPVSA-N 472.590 2.033 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(N(CC)CC)cc2)CC1 1359040276 NZTCOLOCWQEAAL-UHFFFAOYSA-N 491.640 2.374 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 1359056885 NEMSLDITTMARHB-QGZVFWFLSA-N 497.687 2.382 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNc1nccc(C(F)(F)F)n1 1359069931 BTBVZESQLXBLLX-IFXJQAMLSA-N 483.520 2.093 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cnn(-c2ccccc2)c1 1359271894 GIRXQHZBIDMHPO-NRFANRHFSA-N 483.598 2.023 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)Cc2ccco2)cc1 1359308670 VKFPHDBAJPXGCL-NRFANRHFSA-N 487.582 2.454 30 10 JEEE CC(=O)N1CCN([C@@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CC(C)(C)CN(C)C)C[C@@H]2C)CC1 1359399487 RCHLSLUEHAWVLR-GBXCKJPGSA-N 492.672 2.393 30 10 JEEE CCS(=O)(=O)Nc1ccc(S(=O)(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)cc1F 1463451314 CPHGCULZDJTKLN-LJQANCHMSA-N 453.517 2.221 30 10 JEEE CN(C)C(=O)CC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2([S@](C)=O)CC2)CC1 1503359740 IBWLTWMPVYFIQZ-UMSFTDKQSA-N 484.626 2.335 30 10 JEEE COc1cccc(-c2nnc(N3CCC(CC#N)CC3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)c1 1504333870 DTFCATRQMIETIB-GOSISDBHSA-N 458.588 2.365 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(-n2cccn2)cc1 1507668827 DECQXNAQLHSZAT-NRFANRHFSA-N 462.579 2.072 30 10 JEEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](O)(c2ccc(F)cc2)C1 1507778264 CTDNPPAZWGWNHT-ACJLOTCBSA-N 488.383 2.034 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2F)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1507794239 HAGZMGJGTXCDBI-NQIIRXRSSA-N 484.576 2.239 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@@H](CN2CCOCC2)C1 1508072078 DWOYNBRHJZRRBM-VXKWHMMOSA-N 482.629 2.496 30 10 JEEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1508095730 RRDMRBAHTIRBDV-UHFFFAOYSA-N 474.613 2.489 30 10 JEEE CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(c2ncccc2F)CC1 1515313094 FJHCXYUTFZCPOD-UHFFFAOYSA-N 492.559 2.458 30 10 JEEE CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)N=c1cc[nH]cc1C#N)n2CC 1537478898 FSLNLKJCVPKTRZ-UHFFFAOYSA-N 454.556 2.347 30 10 JEEE C#CCCCn1c(-c2ccccn2)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1539111455 VREUVELEBXNRKM-UHFFFAOYSA-N 454.531 2.404 30 10 JEEE C#CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCN1CCN(C)C(C)(C)C1 1539177005 XPILATQRNLNEIX-FQEVSTJZSA-N 473.666 2.488 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCc1ccc(NC(C)=O)cc1)[C@H]1CCS(=O)(=O)C1 1539220035 HDEQMQYOPMHENU-FCHUYYIVSA-N 485.610 2.348 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@H]1CCN(CC)C1)[C@@H]1CCS(=O)(=O)C1 1539220899 WHPITLBKWYBWBA-RBBKRZOGSA-N 455.628 2.146 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@]1(C)CN(C)C1=O 1539324698 XKRYVQUTEZIJCU-KBMIEXCESA-N 468.602 2.334 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CCC[C@H]1CCCN1C(=O)OC(C)(C)C 1539412973 FZEAYLSTWAGALY-MOPGFXCFSA-N 474.606 2.495 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Cl)c3)n2CCCN2CCC(O)CC2)CC1 1539469509 BFCDMAUTUPIWDG-UHFFFAOYSA-N 485.032 2.411 30 10 JEEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N(C)CCN1CCN(c2ccccc2)CC1 1539513400 NZQASJDPSNBBPI-UHFFFAOYSA-N 464.643 2.303 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccn2C)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1539627369 JMRLRTJVDGMQTP-SBHAEUEKSA-N 477.631 2.295 30 10 JEEE C=C(C)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1539716283 VBURUWYIKGLLSN-UHFFFAOYSA-N 468.602 2.031 30 10 JEEE C=CC[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(OCC(N)=O)CC1)c1ccccc1 1539947217 HWEPXWWSTDTOTG-PMACEKPBSA-N 487.626 2.011 30 10 JEEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](c2ccc(F)cc2)C1 1540038340 ZTSKCLYSJAXIOM-PZJWPPBQSA-N 493.605 2.337 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCN(Cc2nc(O)c3ccccc3n2)CC1 1540862702 HHZAYDXLHBAKKT-QGZVFWFLSA-N 464.574 2.065 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1540864658 HLISAIDACNTYLO-IVZQSRNASA-N 463.485 2.233 30 10 JEEE C=CCOc1ccccc1Cn1c(CN2CCCC2=O)nnc1N1CCC(S(C)(=O)=O)CC1 1540881367 HHMNKXYOSCFPBV-UHFFFAOYSA-N 473.599 2.027 30 10 JEEE Cc1cc(C(=O)N2CCN(c3ccc(C#N)c(C(F)(F)F)c3)C[C@@H]2C(=O)NC2CC2)n(C)n1 1548371079 LVFRIJWKBBNQDL-LJQANCHMSA-N 460.460 2.229 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1C[C@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1587569301 WOYUCCFGFVIQKE-NWDJMSLTSA-N 489.617 2.413 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1Cc1ccn(C)n1)[C@H]1CCS(=O)(=O)C1 1588030298 SFIWLMVWNTVXFL-ICSRJNTNSA-N 498.609 2.225 30 10 JEEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CC(F)(F)CO1 1588398518 GHUPNJLTGCAHFK-JKSUJKDBSA-N 455.506 2.470 30 10 JEEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1589027128 LHIYAHUDHGBQIY-INIZCTEOSA-N 474.034 2.149 30 10 JEEE C=CC1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1594430226 KKQRCNVGZFZCHH-HSZRJFAPSA-N 460.600 2.426 30 10 JEEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(Cc2cccs2)CC1 1594626279 LSWBBHAAKDFOIJ-HXUWFJFHSA-N 494.687 2.351 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCOC[C@H]1OC 1595116891 WVCODDBFHKUZGD-PWRODBHTSA-N 460.600 2.424 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(C(N)=O)CCOCC1 1595219117 PYBFGKCFOLGNDW-SFHVURJKSA-N 490.605 2.047 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N1CCO[C@H](CNC(C)=O)C1 1595500663 AVIUINSKKGURIY-LJQANCHMSA-N 498.584 2.456 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@H](C)CC1 1595765453 AZPYKHNRVKBYNN-SFHVURJKSA-N 495.671 2.423 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Br)cc2)nnc1N1CCCN(C(C)=O)CC1 1595773051 OANQDOBVPDGFQB-UHFFFAOYSA-N 496.431 2.367 30 10 JEEE C[C@H](CC#N)N(C)c1nnc(CNC(=O)c2cccs2)n1CCN1CCN(C)C(C)(C)C1 1611319002 AQKHATKGUUUZDH-QGZVFWFLSA-N 458.636 2.034 30 10 JEEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1Cc1ccc(C[S@](C)=O)cc1 1614028412 CNEQRCCONSNBNV-JSRFKQPZSA-N 464.599 2.144 30 10 JEEE C#C[C@@H](NC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1F 1630533616 MQDLCNPVABMYCB-QGZVFWFLSA-N 454.867 2.339 30 10 JEEE CN(C)C(=O)C[C@@H](NCC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)c1ccccc1 1643120234 GMRCULDYLICVSV-PKTZIBPZSA-N 451.546 2.344 30 10 JEEE CCn1cc([C@H]2C[S@](=O)CCN2S(=O)(=O)c2cccc(Br)c2C#N)cn1 1663117603 FVIQLMNBASMQGI-SGANQWHYSA-N 457.375 2.031 30 10 JEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC2CCN([C@@H]3CCCC[C@@H]3O)CC2)cc1 1673392444 FCVQPKYSLSCZAG-RTWAWAEBSA-N 450.605 2.383 30 10 JEEE CC[C@H](C#N)Oc1cccc(CNC(=O)NC[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)c1 1678974942 AQUQRIROBJJTTJ-RTBURBONSA-N 452.511 2.491 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H](c1cccc(F)c1)N(C)C)[C@H]1CCS(=O)(=O)C1 1689986783 XARHZYDCSWSDCE-FPOVZHCZSA-N 470.574 2.342 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1nccc(C(F)F)n1 1690064100 ZXFNMUKLQRHSCO-UHFFFAOYSA-N 475.525 2.431 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H](C)CN1CCCC1 1690101099 ODAOZMMNNUYDKV-LJQANCHMSA-N 463.586 2.010 30 10 JEEE C=C(Cl)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@](C)(C(N)=O)C1 1690346008 ISSGJOYOFGJOIA-VLIAUNLRSA-N 454.959 2.041 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2ccco2)CC1 1690432928 OQGYCDCUKSZGKV-QGZVFWFLSA-N 461.588 2.338 30 10 JEEE C=CCCCn1c(N2CCN(CC(=O)N3CCCCC3)CC2)nnc1[C@@]1(OCC)CCOC1 1690496736 WWPUFFBRZMXETL-XMMPIXPASA-N 460.623 2.031 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1-n1cccn1 1690622645 UNOOXYYKAWYGIN-IBGZPJMESA-N 456.572 2.053 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1690660444 HSVQWHLLKPWEFZ-IRXDYDNUSA-N 498.563 2.434 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@@H](c2ccnn2C)C1 1690662259 WSTDNRAELVMIOG-OAHLLOKOSA-N 487.406 2.466 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1692660066 BSYNTKDMRKQSKN-DLBZAZTESA-N 455.588 2.370 30 10 JEEE C[C@@H](CN1CCCCC1)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1 1692733953 FBXHPBHDBNITAU-FQEVSTJZSA-N 465.602 2.234 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@@H]1CCOC[C@H]1C 1694347508 HHBUDXNEWHDHCU-MJGOQNOKSA-N 497.648 2.109 30 10 JEEE CCc1nn(C)c(OC)c1Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@](C)(C(=O)NC)C1 1694609576 DTGRRAKAAWYJLF-DEOSSOPVSA-N 462.558 2.132 30 10 JEEE CCOC[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCS(=O)(=O)C2)C1 1696385315 IFKLFRNXEOWOFX-PMACEKPBSA-N 473.599 2.416 30 10 JEEE N#Cc1ccc(OCc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H]2CCCCS2(=O)=O)cc1 1698488619 GMGZPADTGIXMKW-RXVVDRJESA-N 458.519 2.138 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@](C)(O)c2ccsc2)c1 1705505581 QLSLEIJDWOZEML-CYFREDJKSA-N 478.578 2.255 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCN2CCOC[C@@H]2C)CC1 1705633753 XPOGJZXKMDKXOP-VQTJNVASSA-N 456.566 2.033 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2(SC)CC2)CC1 1705646431 FKMRNNODINFING-UHFFFAOYSA-N 487.651 2.210 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCc2nc(C)no2)CC1 1705650930 CYTHAZVNFAFCLT-UHFFFAOYSA-N 488.552 2.019 30 10 JEEE C#CCSCCn1c(N2CCN(Cc3ccc(C#N)cc3)CC2)nnc1[C@@]1(OCC)CCOC1 1705665521 WKBJQVRJWBKKTQ-RUZDIDTESA-N 480.638 2.490 30 10 JEEE C=CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1705816600 MESRXHWVJSGZDW-MRXNPFEDSA-N 466.633 2.218 30 10 JEEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 1705825344 RAMQHYGIZVEKQS-LJQANCHMSA-N 460.623 2.484 30 10 JEEE C=CCn1c(CCCc2ccccc2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1705892546 OIHGJBCCEAWPDD-UHFFFAOYSA-N 469.615 2.192 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1705908673 SYLUNHBTJQRPLA-HKARXFIJSA-N 459.522 2.071 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CC[C@](O)(c2ccc(F)cc2)C1 1705935652 YROAHBHCGXLSON-HSZRJFAPSA-N 471.558 2.102 30 10 JEEE CC(=O)N1CCCN([C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCC(C)(C)O)C[C@@H]2C)CC1 1705982229 CMKDCUXADCEGJW-WMZHIEFXSA-N 479.629 2.357 30 10 JEEE CC(=O)NCC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN(C)C(C)C)CC1 1706045384 AAUAMHWFPQRRKU-UHFFFAOYSA-N 453.591 2.421 30 10 JEEE Cc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)C[C@H](C)C#N)c(O[C@H]2CCOC2)c1 1707492302 GUMZMUYQJFSCLT-AOIWGVFYSA-N 476.603 2.009 30 10 JEEE CC[C@@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCN1CCN(C)C(C)(C)C1 1708531648 FPXAHJOHKFHHMW-WOJBJXKFSA-N 480.665 2.194 30 10 JEEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1722318658 QQBZKLPVVJNVOW-OALUTQOASA-N 456.616 2.230 30 10 JEEE C#CCCCn1c(N2CC[C@@H]3NC(=O)OC[C@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1722340650 DNWBMSZLYLUWFE-BDXSIMOUSA-N 458.563 2.397 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1cn(CCCC)nc1C)[C@H]1CCS(=O)(=O)C1 1722360206 FBUOMNXWQPHTOF-NRFANRHFSA-N 467.599 2.320 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCc1scnc1C)[C@@H]1CCS(=O)(=O)C1 1722367443 WHCGSBDODIOZLN-QGZVFWFLSA-N 476.653 2.268 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1722484409 VQADKGURTCOYRO-MSOLQXFVSA-N 453.429 2.295 30 10 JEEE C=C(C)COCCn1c(-c2ccc(CC)cc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1722527957 DLRGKGAFRPRWNK-UHFFFAOYSA-N 468.602 2.273 30 10 JEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1722536647 YCCSNQMSJNHXKG-NRFANRHFSA-N 450.543 2.443 30 10 JEEE C=CCCCCn1c(-c2cnccn2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1722602869 KOQUXOVMXHEJIY-UHFFFAOYSA-N 466.590 2.032 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(C)(C)N2CCCCC2)C1 1722718103 HCEMDZANGGPKML-RBUKOAKNSA-N 451.637 2.226 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1722729700 USJADWVOULRWPG-NRFANRHFSA-N 499.058 2.138 30 10 JEEE C=CCSCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCO[C@@H](C#N)C1 1722742997 MVPPXBCEGLASBI-QFIPXVFZSA-N 467.643 2.291 30 10 JEEE CC[C@@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1Cc1cccn(CC)c1=O 1727002752 HINLPWVCFROEDU-QGZVFWFLSA-N 463.590 2.262 30 10 JEEE COCCN(C)CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@](F)(C#N)C1 1730732881 ANNSJGVQEWIBPG-JPYJTQIMSA-N 479.601 2.413 30 10 JEEE N#Cc1cccc(-c2nnc(N3CCC(OCC(N)=O)CC3)n2CCC(=O)N2CCCCCC2)c1 1731178611 COESDSMWHRLUSD-UHFFFAOYSA-N 479.585 2.080 30 10 JEEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCSCC)[C@H]1CCS(=O)(=O)C1 1740620401 WFXNYNKYFVNPTJ-SFHVURJKSA-N 496.680 2.119 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCOCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1740622902 KOTLYPOLUIISKH-OAQYLSRUSA-N 465.579 2.492 30 10 JEEE C#CCN(c1nnc(C2CC2)n1Cc1ccc(NC(=O)NC(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 1740623140 OZCFFGNYKAUIAN-HXUWFJFHSA-N 470.599 2.360 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCC(=O)NC(C)C)CC1 1740694686 QRXMEVXAESCMIZ-FQEVSTJZSA-N 487.649 2.063 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2CC2(O)CC2)CC1 1740704350 OPARWBSXNNWRHK-UHFFFAOYSA-N 467.570 2.233 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CCS(=O)(=O)C(C)(C)C)CC1 1740706399 WSEZDHLBVDTZPH-UHFFFAOYSA-N 451.637 2.046 30 10 JEEE C=C(C)COCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1740787725 IIQFIOUAFRERQS-INIZCTEOSA-N 459.547 2.231 30 10 JEEE C=CCCCCn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1740858859 AIMMUROGAZOSNZ-UHFFFAOYSA-N 487.004 2.462 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)Nc1c(C)cccc1C 1740941199 FDHJUAQYOGUUFV-GOSISDBHSA-N 461.588 2.075 30 10 JEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(SC)c(OC)c1 1740946672 GBNZQVLCEOZGOF-KRWDZBQOSA-N 467.617 2.164 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@H](n2cncn2)C1 1740985557 IMGUZSNYCNEGIQ-FQEVSTJZSA-N 498.613 2.181 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H]2CCS(=O)(=O)C2)C1 1740985835 ULDATNCTWUBZID-INDMIFKZSA-N 452.621 2.413 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1740987966 PKDIBLUWWNYTES-QHCPKHFHSA-N 497.669 2.022 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 1748671178 GRGBQLZSFIZXKD-JJXSEGSLSA-N 463.526 2.363 30 10 JEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(F)c(OC)c2)CC1 1748751683 KDFUMLPTQDAYQF-KRWDZBQOSA-N 461.563 2.068 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(C)cc1F)[C@H]1CCS(=O)(=O)C1 1748804757 KONKJPKBOOVBGT-RDPSFJRHSA-N 490.601 2.441 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(C)CCC1)[C@H]1CCS(=O)(=O)C1 1748806155 ZXJBFQLBBFGOJS-AVRDEDQJSA-N 450.605 2.136 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1Cc1ccoc1)[C@@H]1CCS(=O)(=O)C1 1748808658 FOMDTCZVNUQCDT-QGZVFWFLSA-N 456.524 2.230 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCCN1CCCCCC1=O)[C@H]1CCS(=O)(=O)C1 1748808714 GNHNFTQTAYZJJQ-QFIPXVFZSA-N 494.621 2.236 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2ccc(OCC)c(OCC)c2)CC1 1748989647 AETKYBLNMNYMIT-FQEVSTJZSA-N 466.586 2.025 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2CCCN2C[C@@H](C)O[C@H](C)C2)CC1 1749010277 KJINEBPQTBPEHC-NHCUHLMSSA-N 494.640 2.419 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H]1CN(CC)c2ccccc2O1 1749037862 HDPYFYDOTLBDKV-RBUKOAKNSA-N 489.667 2.270 30 10 JEEE C=C(C)COCCn1c(-c2ccccc2F)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1749220481 JBBURYXLBMHYRO-HSZRJFAPSA-N 456.522 2.491 30 10 JEEE C=C(Cl)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(CCS(C)(=O)=O)C1CC1 1749252429 ATRPJCFNJCBRAY-UHFFFAOYSA-N 487.051 2.313 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCN2C[C@@H](C)C[C@H](C)C2)CC1 1749303811 PSCFQUHDSPRJPX-ACRUOGEOSA-N 480.679 2.135 30 10 JEEE C=CCCCn1c(N2CCC([C@@H]3NC(=O)N(C)C3=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1749440346 YLHWSRDFXCGYRR-FDDCHVKYSA-N 460.579 2.052 30 10 JEEE C=CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1749589909 MBGMBWJKAQRCGB-MBSDFSHPSA-N 456.547 2.292 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1749657697 BCQCLMMSTRFWBJ-RHSMWYFYSA-N 464.364 2.250 30 10 JEEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCc2c(ccnc2N(C)C)C1 1749676819 FOWOMJMYFRWWMZ-UHFFFAOYSA-N 461.570 2.226 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCC(c2ccnn2C)CC1 1749680199 GMGDHXWLRIRXJQ-UHFFFAOYSA-N 465.558 2.285 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1749680215 HEYXEDLMLOMIHF-HXOBKFHXSA-N 459.522 2.073 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCNC(=O)CC1 1749723980 FFCIZOSBCLBTSH-UHFFFAOYSA-N 486.623 2.304 30 10 JEEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(Cl)=C(Cl)C1 1749756034 QRKNYYLPIZZXAH-HNNXBMFYSA-N 482.459 2.430 30 10 JEEE C#CCCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1760129826 AHTWCLVEADJTJJ-SFHVURJKSA-N 482.560 2.288 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@](C)(O)CCC)[C@H]1CCS(=O)(=O)C1 1760182420 FQHJPTBXOAURIH-GHTZIAJQSA-N 461.544 2.031 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1CCC(=O)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1760191974 OSDGJWUKUYQHPC-JOCHJYFZSA-N 483.638 2.093 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@]2(O)CCSC2)CC1 1760267401 KMUHZSGZWZMUKJ-HSZRJFAPSA-N 490.029 2.441 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@H](C(N)=O)C1 1760313146 KCVBBZIZRGTEKM-LMMKCTJWSA-N 472.977 2.154 30 10 JEEE C=CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccnn2)CC1)c1ccccc1 1760417914 KJAWAWKLXJGEOW-TZIWHRDSSA-N 496.641 2.365 30 10 JEEE C=CC[C@@H](Cn1c(CC)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1)c1ccccc1 1760420127 JLJGRPGOYBATNO-NRFANRHFSA-N 450.587 2.471 30 10 JEEE C=CCCOCCn1c(CNC(=O)c2cccs2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1760452657 PZGAVYSZVDUSIC-IAGOWNOFSA-N 458.588 2.110 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](C(F)F)C1 1760517503 OFUVMRNFSLXBRT-OAHLLOKOSA-N 453.515 2.132 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1760537985 VDVJDFYSRPWZJP-IEBWSBKVSA-N 491.614 2.025 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H](C)CC[C@@H]1C 1760550537 ATACEBRSPYWIIZ-ROUUACIJSA-N 495.671 2.421 30 10 JEEE CC(C)CCN(CCC#N)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(O)CCCC1(C)C 1761077644 DXKFVLDNRTUKKM-AUSIDOKSSA-N 496.678 2.318 30 10 JEEE CCN(CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1)C(=O)OC(C)(C)C 1766883491 FFSLIPDFFBERTJ-NRFANRHFSA-N 497.600 2.415 30 10 JEEE COCC1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCCS2(=O)=O)CC1 1769300151 DOXTZXZHWIBKPZ-UHFFFAOYSA-N 458.588 2.105 30 10 JEEE CSc1cccc(F)c1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1 1771425748 DHXAIMXTYIZYFF-KPZWWZAWSA-N 456.544 2.240 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc3cccnc23)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1772660391 RJEHUPKJWDJTJC-DLBZAZTESA-N 491.639 2.352 30 10 JEEE C=CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 1861751699 YRTKFASDGVGRGU-OAQYLSRUSA-N 491.997 2.004 30 10 JEEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCCO)[C@@H]2c2cc3c(cc2[N+](=O)[O-])OCCO3)c1 1862708855 GKQLXAYKMUUYHI-HXUWFJFHSA-N 470.434 2.335 30 10 JEEE C=CCn1cc(OCC(=O)Nc2c(C)cccc2CC)c(=O)cc1CN1CCN(CCO)CC1 1870403636 QTFBIMQNSUSJPC-UHFFFAOYSA-N 468.598 2.033 30 10 JEEE C=CCn1cc(OCC(=O)N=c2nc3nc(C)cc(C)n3[nH]2)c(=O)cc1CNc1ccc2nc[nH]c2c1 1870853450 ZJROVFWWSQFBCH-UHFFFAOYSA-N 499.535 2.017 30 10 JEEE CN1C[C@@H](C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)N(C(=O)OC(C)(C)C)CC1=O 2180980484 JDGCJYYSPPRATF-KRWDZBQOSA-N 459.352 2.002 30 10 JEEE C=CCC1(C(=O)N2C[C@@H]3CN(C(=O)OC(C)(C)C)[C@H](CO)[C@H]3C2)CN(C(=O)OC(C)(C)C)C1 2227325120 MPKROUKQRCFSDQ-FGTMMUONSA-N 465.591 2.486 30 10 JEEE CC(C)(C)OC(=O)NC/C=C\CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2248285790 AXLOAWPRBDLCDL-HJWRWDBZSA-N 458.411 2.407 30 10 JEEE CC(C)(C)OC(=O)NC1CN(S(=O)(=O)Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2255942945 PGQACONDLZPJNI-UHFFFAOYSA-N 452.382 2.025 30 10 JEEE CC(C)(C)OC(=O)N1CC(O)(CC(=O)NCc2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2256627761 CDLMGBQJYAHROX-UHFFFAOYSA-N 452.382 2.035 30 10 JEEE COC[C@@]1(NC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)CCN(C(=O)OC(C)(C)C)C1 2267164578 UDRUJCBHEJAYDN-OAQYLSRUSA-N 467.397 2.198 30 10 JEEE CON(C1CN(C(=O)OC(C)(C)C)C1)S(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2267378831 NXORRZHVFCKQPP-UHFFFAOYSA-N 468.381 2.157 30 10 JEEE C[C@H]1[C@H](NS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2267468740 MHAQIGPDUCXNOY-UONOGXRCSA-N 487.453 2.260 30 10 JEEE CC(C)(C)OC(=O)N1CC(CNS(=O)(=O)Cc2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267472599 SLNWRRNTBQAPOR-UHFFFAOYSA-N 466.409 2.272 30 10 JEEE CS[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1 2267486211 JXZNQHIXTGYESC-IRXDYDNUSA-N 463.409 2.462 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@@](CO)(NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)C1 2267550628 CAJSVPLOWSPIHT-JOCHJYFZSA-N 450.341 2.071 30 10 JEEE CN1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)s1 2268652443 UKCXBFGQDBVUAR-INIZCTEOSA-N 465.425 2.215 30 10 JEEE Cn1ncc(C(=O)N2CCC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)c1B1OC(C)(C)C(C)(C)O1 2281824671 WJPMRTVTAPNCGA-WBVHZDCISA-N 460.384 2.191 30 10 JEEE CC(C)(C)OC(=O)N1[C@H](CNC(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)C[C@@H]2OCC[C@H]21 2281831539 CXTHFPVJBNZXCF-BBWFWOEESA-N 462.352 2.476 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 2281980747 KOVZNFNMZBZJCE-JOCHJYFZSA-N 481.424 2.243 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@]2(F)CCC[C@]2(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2281983184 SKVWADJNWZLUNL-VXKWHMMOSA-N 464.347 2.320 30 10 JEEE Cc1nn(C)c(C(=O)NC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2281986106 OHJUVSSQSPODJT-MRXNPFEDSA-N 462.400 2.405 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C(F)(F)CC1 2281988426 MFULURLHTQMJSF-CQSZACIVSA-N 470.326 2.474 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)OC(C)(C)C 2282006867 ZAXPTAJMQAOENB-OAGGEKHMSA-N 460.384 2.155 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2COCCN(C(=O)OCc3ccccc3)C2)n1 2282047382 XOVHENCMTHYCGE-HXUWFJFHSA-N 495.385 2.457 30 10 JEEE Cn1ncc(C(=O)N[C@H]2CC[C@H]3CC[C@H]2N3C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2282540662 MXSVHTNTGPBALL-BHYGNILZSA-N 460.384 2.380 30 10 JEEE Cn1cc(C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C2)nc1B1OC(C)(C)C(C)(C)O1 2282552229 PEUDMEKOJCYNLK-MRXNPFEDSA-N 462.400 2.485 30 10 JEEE Cc1nn(C)c(C(=O)N[C@@]23CC[C@@H]2CN(C(=O)OC(C)(C)C)C3)c1B1OC(C)(C)C(C)(C)O1 2282564165 QGMSYPMWFGNWBK-IQMFZBJNSA-N 460.384 2.157 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)[C@H]2CC[C@H]21 2282612846 ICQIYIWFUQVZAF-IXDOHACOSA-N 458.368 2.294 30 10 JEEE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1N(C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2282621463 RZCJRPXYJKFCLR-DOTOQJQBSA-N 462.400 2.437 30 10 JEEE C[C@H]1CN(Cc2ccccc2)C[C@@H](C)[C@@H]1NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282683150 ZDEDORBEFBXGLX-DZFIZOCASA-N 453.396 2.001 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C[C@H]1C(F)F 2282685910 LWBQBIYYAPODSC-OCCSQVGLSA-N 468.310 2.006 30 10 JEEE C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCN(S(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282829437 DYCAGURSRXCLLG-CVEARBPZSA-N 481.424 2.305 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N1CCc2cccc(B3OC(C)(C)C(C)(C)O3)c2C1 2283950045 GUUVIGHBNOQJNB-KRWDZBQOSA-N 460.380 2.146 30 10 JEEE C[C@H](c1cc(B2OC(C)(C)C(C)(C)O2)cs1)N(C)C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C 2283980396 ZMYQLLWGPMYEDK-HIFRSBDPSA-N 481.424 2.335 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)c(C)n2)C1 2284068321 CDQXCQDOLOBIQM-UHFFFAOYSA-N 456.352 2.329 30 10 JEEE CC1(C)OB(c2cnc(NC3(C(N)=O)CCN(Cc4ccccc4)CC3)c(F)c2)OC1(C)C 2284370749 ZTHVTXYGWUVQAH-UHFFFAOYSA-N 454.355 2.452 30 10 JEEE COC(=O)[C@H](CS(=O)(=O)Nc1ccc(C#N)c(Cl)c1)NC(=O)OCc1ccccc1 2286013277 WMDSENWASKRLHY-KRWDZBQOSA-N 451.888 2.421 30 10 JEEE CCOc1ccc([C@H]2C(=C(O)c3cccc([N+](=O)[O-])c3)C(=O)C(=O)N2CCOCCO)cc1 2296946484 BNBQXUAONRDKEX-FQEVSTJZSA-N 456.451 2.424 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2312857506 IDPRAVWJPSOCHN-DUVNUKRYSA-N 470.422 2.333 30 10 JEEE CC(C)(C)OC(=O)N(CCO)CCC(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)cs1 2319807045 VXDKNNUHRGFSNH-UHFFFAOYSA-N 454.398 2.283 30 10 JEEE CCCOC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1N=Cc1ccc(O)c(O)c1 2329056426 APGXQVRLWCOWMW-OAHLLOKOSA-N 461.544 2.341 30 10 JEEE COC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2scc(B3OC(C)(C)C(C)(C)O3)c2C1 2336500096 WINJMUUFFVBWMV-MRXNPFEDSA-N 466.409 2.472 30 10 JEEE CN(CCNC(=O)OC(C)(C)C)CC(=O)N1CCc2scc(B3OC(C)(C)C(C)(C)O3)c2C1 2361645287 FJPAIHQMZZRZFT-UHFFFAOYSA-N 479.452 2.389 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)n1C 2362341119 QYXXMLKTUWCDIZ-GDBMZVCRSA-N 462.400 2.261 30 10 JEEE CC(C)n1cc(/C=N/Nc2nnc(SCC(=O)NCCc3ccccc3Cl)n2N)cn1 20920783 LQNYODODPANXKN-NUGSKGIGSA-N 461.983 2.320 30 10 JEEE CC(C)n1cc(/C=N/Nc2nnc(SCCC(=O)Nc3ccc4c(c3)OCO4)n2N)cn1 20921407 RTTBYPYDFVUKDX-ODCIPOBUSA-N 457.520 2.065 30 10 JEEE CN1CCN(CCCNC(=O)c2cccc(N3CC(=O)C(c4nc5ccccc5s4)=C3N)c2)CC1 64838389 JVZBIXALDWUVNW-UHFFFAOYSA-N 490.633 2.380 30 10 JEEE C#CCN(C(=O)c1cc(S(=O)(=O)N2c3ccccc3C[C@H]2C)ccc1F)[C@H]1CCS(=O)(=O)C1 729333577 ZGOLTHKGOKCZSE-AEFFLSMTSA-N 490.578 2.228 30 10 JEEE C=CCN1C(=O)C(=O)N(CC(=O)NCc2cccc(Oc3cc(OC)cc(OC)c3)c2)C1=O 1128876404 VJFDPWIGTWBQEX-UHFFFAOYSA-N 453.451 2.089 30 10 JEEE C#CCCCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)COc2ccc(F)cc2)CC1 1286321721 UGAZUGVMIMYFFP-UHFFFAOYSA-N 463.517 2.405 30 10 JEEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1Cc1cccnc1N1CCOCC1 1286365591 ZGHOCZUJMKPPER-UHFFFAOYSA-N 478.553 2.320 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC[S@@](=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1286383792 ODSWGLCOSFCEBE-HYHKQLJDSA-N 493.611 2.027 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCc1ccc(F)c(F)c1)[C@H]1CCS(=O)(=O)C1 1286399001 WEIANPJLBNXTRN-WFXMLNOXSA-N 494.564 2.150 30 10 JEEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1Cc1cc(F)ccc1N1CCOCC1 1286415920 NEGFCOSLMRRPEO-UHFFFAOYSA-N 461.545 2.237 30 10 JEEE C#CCSCCn1c(CCOc2ccccc2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1286509007 SFGIXOAYOPBEPC-XUZZJYLKSA-N 496.681 2.255 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1286561306 AZFGEDGZWJMBOA-GHTZIAJQSA-N 458.607 2.076 30 10 JEEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(O)(C(F)(F)F)CC1 1286705908 GVJPORSKSUFGNP-UHFFFAOYSA-N 454.453 2.412 30 10 JEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc(F)c2F)CC1 1286711892 QOSFBESBFKWDIH-KRWDZBQOSA-N 481.569 2.378 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2cc(C)cc(C)c2)C1 1286809236 HMZDTPKTILYYSQ-YADHBBJMSA-N 489.642 2.252 30 10 JEEE CC[C@H]1CCCCN1CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1293362657 FWSVATNFOHXORM-GOTSBHOMSA-N 465.602 2.423 30 10 JEEE C[C@H](Cc1cc(Br)ccc1F)NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1295171845 AXIHNNRKBCQFGX-GFCCVEGCSA-N 454.321 2.486 30 10 JEEE CCS(=O)(=O)N(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](C(C)C)C1 1297729522 HMVGSYWNTIYSIM-HXUWFJFHSA-N 460.604 2.350 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1(C(N)=O)CCOCC1 1300329690 RQTKKVNBNBQUKE-SJORKVTESA-N 460.579 2.090 30 10 JEEE C#CCCCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1300353698 YHZZRLAJBLGMRC-UHFFFAOYSA-N 497.625 2.310 30 10 JEEE C#CCN(c1nnc(-c2cccc3cccnc23)n1CCC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1300489417 NSRIITQDTJXARK-SFHVURJKSA-N 453.568 2.281 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1ccc(F)c(COC)c1)[C@@H]1CCS(=O)(=O)C1 1300498945 OGUCJXCNIAMQKJ-OAQYLSRUSA-N 483.569 2.224 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1Cc1cccc(N2CCOCC2)n1 1300548133 GYCYFJLJEYGRFJ-UHFFFAOYSA-N 467.533 2.081 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4ccccc4n3)n2CCN(C)CCOC)CC1 1300718789 FEVOIONHTRLWRE-UHFFFAOYSA-N 475.597 2.037 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(OCC(N)=O)CC1 1300875337 MXMNPJJWCWQYQH-OXQOHEQNSA-N 460.966 2.445 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCN(C(C)C)C1 1300915652 PPEUMTPTGBWPPU-VQTJNVASSA-N 468.668 2.134 30 10 JEEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](OCCC)CC1 1301043869 FCSHMWRECQOHIC-DLBZAZTESA-N 462.016 2.149 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1301342570 XYOPLDPGTZCQSW-HXUWFJFHSA-N 495.609 2.400 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(Cl)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1301593957 YWMBLELRUQQMFE-RTBURBONSA-N 494.017 2.359 30 10 JEEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cccc(OCC)n2)CC1 1301609207 FJMWNVAZNRAFHU-QGZVFWFLSA-N 457.604 2.269 30 10 JEEE C[C@@H](CC(N)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1ccc(N2CCCC2)nc1 1303652207 HBFJXZVNSFZMQI-SFHVURJKSA-N 474.569 2.472 30 10 JEEE CCOC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCC[C@@H]2C)CC1 1314022843 DKDYVRVLQUQSSU-IBGZPJMESA-N 467.574 2.492 30 10 JEEE CCOc1ccc(O[C@H](C)c2nnc(N3CC[C@@](F)(C#N)C3)n2CCN2CCCS2(=O)=O)cc1 1314194965 DOGHHCCTGBKNLA-VGOFRKELSA-N 492.577 2.294 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2CCc2c(C)noc2C)c1 1358903186 NSVJPAMPVMSGMJ-UHFFFAOYSA-N 475.553 2.304 30 10 JEEE C#CCCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN(C(=O)COC)CC1 1358912830 ZJTLYABAEBOHGU-UHFFFAOYSA-N 488.633 2.491 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1CC1([S@](C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1358956559 HRWJWNUWBPRXRI-DLKQWWBSSA-N 494.614 2.095 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@H](C(C)C)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1358959558 LKFNDFGCQAZVPJ-FYYLOGMGSA-N 485.654 2.237 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCc1nc(C)no1 1359016687 JVMNNEMYEVIBSQ-SFHVURJKSA-N 472.546 2.283 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccnc3)n2C[C@H]2CC(F)(F)CO2)n1 1359027835 XPXMWHWPFFBBEO-LJQANCHMSA-N 457.485 2.247 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1359099829 TYOWTMCWTAQNGI-DYXWJJEUSA-N 451.637 2.462 30 10 JEEE C=C(Cl)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](C(=O)OC)C1 1359152421 WNFPMVJAHYVTET-HUUCEWRRSA-N 455.943 2.338 30 10 JEEE C=CCC(C)(C)Cn1c(C)nnc1N1C[C@@H]2[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1359183612 PMECCMRZHNLKGB-IXDOHACOSA-N 453.609 2.315 30 10 JEEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1359226725 LICLOLLXQAOGQZ-FQEVSTJZSA-N 475.615 2.194 30 10 JEEE C=CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1CCCNS(C)(=O)=O 1359233880 UQJVAPGNCIXXEN-UHFFFAOYSA-N 458.382 2.278 30 10 JEEE C=CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1C[C@@]1(C)CN(C)C1=O 1359279142 UXJWKBZFYJWJPF-LJQANCHMSA-N 451.369 2.163 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC(Cn2nc(C)cc2C)CC1 1359331216 RDCWZRZJVOOOCB-UHFFFAOYSA-N 470.603 2.066 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(CC)[C@H](C)C1 1359336195 IAAYHXRYKSDKJT-GUDVDZBRSA-N 453.653 2.328 30 10 JEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)NCCCN(CC)CC)CC1 1443479695 KFHVUTRSPZYGBJ-HXUWFJFHSA-N 450.624 2.380 30 10 JEEE CN(CCc1cccs1)c1nnc(COc2ccc(C#N)cc2)n1CC(=O)N1CCOCC1 1503577000 BHIYICNIXYNXJR-UHFFFAOYSA-N 466.567 2.328 30 10 JEEE CO[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1)C(C)(C)C 1504001501 CVFWQIXEFSLYRK-PXNSSMCTSA-N 490.630 2.260 30 10 JEEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(N(C)C(=O)OCC)CC1 1507580401 CCAURKGUTBDRSW-UHFFFAOYSA-N 463.546 2.391 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCOc1ncccc1Cl)[C@@H]1CCS(=O)(=O)C1 1507630583 CPYAAWITCZKJIN-QGZVFWFLSA-N 486.985 2.403 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H](C(C)C)N1CCOCC1 1507712372 FUZDPJHXRAMTTJ-OAQYLSRUSA-N 479.585 2.037 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)s3)n2CCN(C)CCOC)CC1 1507720587 LWNMIZDCOLZXDF-UHFFFAOYSA-N 467.437 2.103 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCO[C@@H](C(=O)NC)C1 1507802705 CPQDHPFNJXLYEK-NLEAXPPASA-N 473.549 2.490 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2c[nH]c3ccccc23)nnc1N(C)CCNS(C)(=O)=O 1507810251 WQQDROUUIGCEIR-JTSKRJEESA-N 472.615 2.317 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c(-c2cnccn2)nnc1N1CCc2nn(C)c(=O)cc2C1)C(C)C 1508013539 OYHGUJKDCRFKEO-QFIPXVFZSA-N 475.601 2.090 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(F)cc1C 1508018263 BHEJDHPUOUTKOG-HXUWFJFHSA-N 463.579 2.480 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CCN2CCCC[C@H]2C1 1508144261 OPZSXYUIYPSBAC-FQEVSTJZSA-N 459.616 2.153 30 10 JEEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1508155909 SQFYICZQCSZIKL-KRWDZBQOSA-N 463.608 2.328 30 10 JEEE N#Cc1ccc(C2=CCN(c3nnc([C@H]4CCC(=O)N4)n3CC(=O)NCC(F)(F)F)CC2)cc1 1521082282 FDELCUROLWNLNQ-QGZVFWFLSA-N 473.459 2.073 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1CC[C@@H](C)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 1539216026 MUKUZPYKBBUVPE-CTNGQTDRSA-N 456.616 2.231 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CC1(COC)CCOCC1 1539390058 HKPXCTHDVKHFFK-FQEVSTJZSA-N 455.534 2.451 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCSc2ccc(C)cc2)CC1 1539451955 GSQVQWONEIUELD-LJQANCHMSA-N 459.641 2.036 30 10 JEEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1539533051 JRVOZOYDYGNKMR-FGTMMUONSA-N 474.631 2.036 30 10 JEEE C=C(C)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1539709732 GNZVYIBFBMAUSO-UHFFFAOYSA-N 457.604 2.343 30 10 JEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](c2ccc(C)cc2)N2CCOCC2)CC1 1539829158 UQCKTHMTYMIESJ-UNMCSNQZSA-N 488.658 2.427 30 10 JEEE C=CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC(C(=O)NCCC)CC1 1540854053 CMTOTVCLSQWUBW-UHFFFAOYSA-N 459.620 2.475 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CCC2(CC1)CNC(=O)C2 1540865782 SAIUDYDEMJIRCJ-UHFFFAOYSA-N 479.404 2.178 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1540874958 XDINFAYZYLILRM-UHFFFAOYSA-N 492.628 2.222 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@H](N2CCCC2=O)C1 1540897222 DKHPXWZQJRZBBZ-MJGOQNOKSA-N 491.589 2.359 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](CC)c2ccccc2)nnc1N1CCN2C(=O)CC[C@H]2C1 1540898138 AWXSETDLAKXXEO-VQTJNVASSA-N 457.600 2.232 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 1540903002 VYLWACNOWKUDTD-KZNAEPCWSA-N 483.635 2.122 30 10 JEEE C=CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@H](OC)[C@H](OC)C1 1540917515 YLRFBSGTAMCVPV-KDURUIRLSA-N 459.620 2.221 30 10 JEEE CC(=O)N1CC[C@@H](CN(C)c2nnc(COc3ccc(C#N)cc3)n2CCc2nccnc2C)C1 1540946528 DGNGUATYNDDHRP-NRFANRHFSA-N 474.569 2.375 30 10 JEEE CC[C@@H](C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1545691734 HSKFGIOPFHPLSC-LJQANCHMSA-N 493.612 2.197 30 10 JEEE CCS(=O)(=O)CCn1c(N2CCN(c3oc(C4CC4)nc3C#N)CC2)nnc1C(C)(C)C 1548323200 IDPLVKAOCLWZOG-UHFFFAOYSA-N 461.592 2.074 30 10 JEEE N#C[C@]1(F)CCN(c2nnc(COc3ccc(Cl)cc3)n2CC2(C(N)=O)CCOCC2)C1 1555986284 HHFXKHLWWDKNFX-OAQYLSRUSA-N 462.913 2.235 30 10 JEEE CS(=O)(=O)c1cccc2c1CCCN2CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 1559643521 BQAMQDTYWDBWKF-LJQANCHMSA-N 458.609 2.313 30 10 JEEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](N2CCCC2=O)C1 1587861031 GDMUSESZXKLVLV-RBUKOAKNSA-N 472.590 2.201 30 10 JEEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 1588034995 OCWOPNPKEKUWCL-GBXCKJPGSA-N 488.610 2.002 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1cn(CCCCC)nc1C)[C@H]1CCS(=O)(=O)C1 1588053985 JKQNSLPWFBVAQE-CTNGQTDRSA-N 474.631 2.152 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1ccccc1OCCN(C)C)[C@H]1CCS(=O)(=O)C1 1588059418 NQQRGEHLXIPBNJ-NRFANRHFSA-N 487.670 2.482 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCOC[C@H]1CCCO1 1588144145 VFRKJURNWNENFS-NHCUHLMSSA-N 487.601 2.245 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](CC=C)c2ccccc2)CC1 1588742969 WGQRZHXFQVNVIE-PZJWPPBQSA-N 456.616 2.003 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2sccc2C)CC1 1588884601 GNNXKHCRVGBPDP-UHFFFAOYSA-N 463.567 2.309 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)cn3C)n2CCC(C)(C)O)CC1 1588891881 UULBEJAMEGGEPD-UHFFFAOYSA-N 477.407 2.173 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CCCN2CCCO[C@@H](C)C2)CC1 1588946317 BEVLUNNOSWTOBN-FQEVSTJZSA-N 458.651 2.333 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2CCN2CCCCC2)CC1 1588947902 YETUKVFGUKEHDS-UHFFFAOYSA-N 452.578 2.460 30 10 JEEE C#CCSCCn1c(-c2ccccc2OC)nnc1N1CCN(c2nccc(OC)n2)CC1 1589042893 QYPZETTUAAHDQD-UHFFFAOYSA-N 465.583 2.445 30 10 JEEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1593711901 LTAGBZPRCAYBLK-HXUWFJFHSA-N 486.598 2.043 30 10 JEEE C=CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(C(=O)NC)CC1 1594608712 VMVZKRFHBSNFRX-UHFFFAOYSA-N 464.574 2.493 30 10 JEEE C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1594615621 KUTNTAHLKZTGMV-HXUWFJFHSA-N 457.623 2.156 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCCS(=O)(=O)C1 1595084876 NDWIOMYNKRSHDJ-NRFANRHFSA-N 482.610 2.403 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc3ccccc3o2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1595497353 YVHFOMGUHCITGI-QGZVFWFLSA-N 457.556 2.397 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1595594210 MDGPZZSCPUJWMG-GOSISDBHSA-N 484.626 2.472 30 10 JEEE C=CCNC(=O)Cn1c(N2CC[C@H](Cc3cnn(C)c3)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1595602819 RTWCSCODWCFYCC-RLLQIKCJSA-N 498.632 2.154 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(C)nc3ccccc23)nnc1N(C)[C@H](C)CS(C)(=O)=O 1595766862 ZICLXEVXQFGIAW-QGZVFWFLSA-N 491.639 2.272 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCCN(C(=O)c2ccccc2)CC1 1595811922 GYRXYZVIACZRRO-UHFFFAOYSA-N 494.621 2.217 30 10 JEEE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3ccc(Cl)cc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1595978276 UQIMSLPLHLNXTL-IJCFDHGGSA-N 497.987 2.430 30 10 JEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](CC(=O)OCC)c2ccc(F)cc2F)c1 1596335775 BGQFAUWSBYWEPN-LJQANCHMSA-N 450.463 2.301 30 10 JEEE N#C[C@@H]1CN(C(=O)[C@H]2CS[C@@H](Cc3ccccc3F)C(=O)N2)CCN1Cc1ccccc1 1617184300 DZGXGTIOIVNJGF-FCEUIQTBSA-N 452.555 2.205 30 10 JEEE N#Cc1ccc(N2C[C@@H](C(=O)NCCN3Cc4ccccc4OCC3=O)CC2=O)cc1Cl 1625834170 HRDXEGVXVWMZJJ-KRWDZBQOSA-N 452.898 2.102 30 10 JEEE C#CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCOCC)[C@@H]1CCS(=O)(=O)C1 1689998398 LIRZNVAMQTWBKA-CEXWTWQISA-N 495.646 2.102 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(COC(C)(C)C)c1 1690000050 QGLHUGSPRXHHDA-GOSISDBHSA-N 457.600 2.325 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc(Br)s1 1690032545 DMAISGKMLXLNBM-CQSZACIVSA-N 484.445 2.418 30 10 JEEE C#CCN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1690061067 QGMOZBWOXPHGSJ-GHTZIAJQSA-N 473.540 2.431 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1CCN(C(=O)OC)CC1 1690098740 SYGOPRKRJXNIMB-UHFFFAOYSA-N 469.542 2.281 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccc2F)nnc1N(C)CC(=O)N1CCOCC1 1690248189 LJXYRCJMPVSLDJ-CVDCTZTESA-N 457.550 2.284 30 10 JEEE C=C(C)CN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1(C(N)=O)CCOCC1 1690265444 PAIHYYGJYKQHJR-UHFFFAOYSA-N 468.606 2.137 30 10 JEEE C=C(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN([C@@H](C)C(=O)NCCCOC)CC1 1690278873 UAQYUUIBNCUIAS-IBGZPJMESA-N 451.575 2.056 30 10 JEEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1690674116 PGGVGBDROGMAGZ-MHPIHPPYSA-N 469.586 2.147 30 10 JEEE C[C@@H]1CN(CCCn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H](CC(N)=O)C2)CCCO1 1693836111 FECPQONVTSZAPV-TZIWHRDSSA-N 465.602 2.409 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CC2CCN(CCC)CC2)c1 1705506008 XNBQNMYBGTUUGD-JOCHJYFZSA-N 477.613 2.407 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CCC1(C)CC1)[C@@H]1CCS(=O)(=O)C1 1705560553 IAYCNDPCPAFNTH-GCJKJVERSA-N 450.605 2.136 30 10 JEEE C#CCN(c1nnc(C(C)C)n1C[C@@H](c1cccc(C)c1)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1705561702 VXRGXSBPCAPYRV-GOTSBHOMSA-N 485.654 2.410 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1CCCN1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1705564699 PFYDURAKBJKXLB-HXUWFJFHSA-N 458.632 2.032 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1cccc(OC)c1OC)[C@H]1CCS(=O)(=O)C1 1705565141 SPAOPHIQNDAMQX-IBGZPJMESA-N 467.551 2.032 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1ccncc1)[C@@H]1CCS(=O)(=O)C1 1705572345 YFHXFPHFVPTHEL-NJDAHSKKSA-N 471.627 2.461 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2F)n1CCN/C(O)=C1/N=CC=CC1=O 1705576743 OSVBSPKJPDYGGC-VZCXRCSSSA-N 452.877 2.337 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCO[C@H]2CCCC[C@H]2C)CC1 1705643470 HKVYBZUPAPHIHM-CTNGQTDRSA-N 470.618 2.075 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H]2CCCCO2)CC1 1705647038 XYBZILXKNWIHNG-HXUWFJFHSA-N 467.570 2.497 30 10 JEEE C#CCSCCn1c(COc2ccc(C)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1705666006 KPQJHDKAHGMANR-LJQANCHMSA-N 468.583 2.005 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(-c2n[nH]c(C)n2)cc1 1705710889 TUBSVEINJNZTPD-HNNXBMFYSA-N 458.592 2.433 30 10 JEEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 1705907135 BBKGCMSYIMDVJB-CQSZACIVSA-N 486.520 2.120 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC[C@@H](Nc2ccccc2)C1 1705931969 GYFFBYHSBACDEZ-LJQANCHMSA-N 453.572 2.417 30 10 JEEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)S[C@H](C)C1 1705937702 BXIBQRSERFEZRP-GASCZTMLSA-N 469.658 2.201 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1CCN1CCN(C(C)=O)CC1 1722277300 MCROQZFWJPVBKE-WOJBJXKFSA-N 468.602 2.439 30 10 JEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCn1c(O)nc2ccccc21 1722354887 LQRLNAJOEQORFZ-LJQANCHMSA-N 481.557 2.411 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H](c1cccc(OC)c1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1722362109 SESVEPGLQLXCAT-DENIHFKCSA-N 482.610 2.211 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](c2ccco2)N(C)C)CC1 1722448886 BXAXSYXWGQGWFV-OAQYLSRUSA-N 478.601 2.001 30 10 JEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1nc(C(F)(F)F)cs1 1722452589 UVVLOXDGMQDCSX-NSHDSACASA-N 482.579 2.366 30 10 JEEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(CC2CCOCC2)CC1 1722479485 JDHZVGDSHPZBJK-QGZVFWFLSA-N 472.428 2.459 30 10 JEEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1722580087 GWZYNSCFFPOGPX-GOSISDBHSA-N 463.590 2.493 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](CCOC)C1 1722588406 SBMLLTKNGIDHKR-MSOLQXFVSA-N 455.625 2.076 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1722696313 IPGRLPGWUNPFIM-UHFFFAOYSA-N 456.547 2.313 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](CC)c2ccccc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1722724020 KXWQSWDFEBYFAL-HKBOAZHASA-N 471.627 2.383 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](CN2CCCCCC2)C1 1722727784 LFRSBSIOTJXNGL-NHCUHLMSSA-N 465.664 2.475 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1722729710 UXSKJQACKPXBHO-JOCHJYFZSA-N 484.626 2.188 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Br)cc2)nnc1N(C)[C@@H](C)CC(N)=O 1722752099 WMIPYYVJYPFHSI-ZDUSSCGKSA-N 470.393 2.009 30 10 JEEE CNC(=O)CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2CCN(CCN(C)C)CC2)CC1 1729691150 GICVDMHVSLSKDE-UHFFFAOYSA-N 492.672 2.443 30 10 JEEE CS(=O)(=O)C1(Cn2c(-c3cccc(Br)c3)nnc2N2CCO[C@H](C#N)C2)CCC1 1730992402 CVCQVZSEEXOZCS-MRXNPFEDSA-N 480.388 2.404 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](OC)[C@H](C)CC)c1 1740562878 NRZMPQIQLKKAIU-LSTHTHJFSA-N 452.559 2.347 30 10 JEEE C#CCN(c1nnc(C)n1C[C@H](c1cccc(OC)c1)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1740617458 RJYDAFHXDRDRAS-RBBKRZOGSA-N 457.600 2.059 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@@H]1CCN(CC)C1)[C@H]1CCS(=O)(=O)C1 1740623732 AAGCIPRJSANRKV-YADHBBJMSA-N 455.628 2.032 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1csc([C@@H](C)OC)n1)[C@H]1CCS(=O)(=O)C1 1740626847 WOKOTDKDQGWCTO-APWZRJJASA-N 486.623 2.103 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2C[C@H](c2ccccc2)N2CCOCC2)CC1 1740702169 IVTIFGNDANDDRB-HSZRJFAPSA-N 464.614 2.441 30 10 JEEE C#CCSCCn1c(-c2cccc3cccnc23)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1740714051 PVUJINWYAUESFI-KRWDZBQOSA-N 470.624 2.330 30 10 JEEE C#CCSCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CC[C@H](OC)C1 1740719790 LLWVMEKLEDKRCL-QFIPXVFZSA-N 454.644 2.234 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCCN(C)Cc1ccccc1 1740726253 ZYANCGOGTXUEIA-WMZHIEFXSA-N 458.632 2.403 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1740751632 MYYCQXXLISTJCU-ZJOUEHCJSA-N 467.574 2.259 30 10 JEEE C=C1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1740819644 YCBMITSDECOKJR-UHFFFAOYSA-N 492.598 2.067 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1740951258 DTXICMAEYNQBLZ-HXUWFJFHSA-N 495.628 2.139 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N(C)C1CCN(C(=O)c2ccccc2)CC1 1740961873 LBXCKEAUVHFMTO-UHFFFAOYSA-N 473.581 2.307 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](c2ccc(F)cc2)N(C)C)C1 1740980050 GZSCMGBOVQILOK-CEWLAPEOSA-N 477.606 2.404 30 10 JEEE C=CCSCCn1c(N2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)nnc1C(C)(C)C 1741004747 LHVTWGJMMRZDNZ-UHFFFAOYSA-N 462.664 2.435 30 10 JEEE C=CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(CC(=O)NCC)CC1 1741006985 UMNGPDUGWVFBKI-UYAOXDASSA-N 464.680 2.374 30 10 JEEE CCc1nn(C)c(CC)c1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1744508603 HIEYVKRIPAALHE-GOSISDBHSA-N 497.625 2.259 30 10 JEEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2c(CC)nn(C)c2Cl)CC1 1748697366 GIFABDDXHWFOOH-UHFFFAOYSA-N 475.041 2.491 30 10 JEEE C#CCCCn1c(N2CCN([C@@H](C)C(=O)NC3CCCC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1748764770 VNUCCSOQZDCADN-LVXARBLLSA-N 486.661 2.301 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1Cc1ccoc1)[C@H]1CCS(=O)(=O)C1 1748808657 FOMDTCZVNUQCDT-KRWDZBQOSA-N 456.524 2.230 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCN1CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1748810157 ZQQUCIIPDHKAHS-CTNGQTDRSA-N 471.627 2.312 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCN(C(C)C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1748816374 ZMNIDJUUDSHVOL-WOJBJXKFSA-N 451.637 2.265 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1Cc1ccc(COC)cc1)[C@H]1CCS(=O)(=O)C1 1748818873 HKVBQQJSSGHKNK-NRFANRHFSA-N 485.635 2.455 30 10 JEEE C#CCN(c1nnc(COCC)n1CCC1=CCc2ccc(OC)cc21)[C@@H]1CCS(=O)(=O)C1 1748824245 MIJLTQZCUHQENS-HXUWFJFHSA-N 470.595 2.480 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1cccc(Br)n1 1748836526 YUMLZGUDRUYIPJ-UHFFFAOYSA-N 474.326 2.199 30 10 JEEE C#CCN(CC#CC)c1nnc(COc2ccc(Br)cc2)n1C[C@]1(O)CCN(C)C1 1748902886 MNIKGYLXIYZPEQ-QFIPXVFZSA-N 472.387 2.149 30 10 JEEE C=C(Cn1c(-c2cnn(C)c2)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1)c1ccccc1 1749244198 HNFBSERGQDTLMO-OAQYLSRUSA-N 470.599 2.422 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC(F)(F)F)cc1 1749489505 WUCZJEYQMJLUKS-INIZCTEOSA-N 475.493 2.180 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(Cc2ccccc2OC)CC1 1749735455 TTZGRZMNHJNAKS-OAQYLSRUSA-N 489.642 2.104 30 10 JEEE C[C@H](Oc1ccccc1F)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1751270550 AQFNAKUFKDVUFV-IRFCIJBXSA-N 499.591 2.229 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2c(C)coc2C)c1 1760128608 NJFLYCOFAUBQPL-LJQANCHMSA-N 481.578 2.495 30 10 JEEE C#CCN(c1nnc(-c2ccc(Br)cc2)n1C[C@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1760183065 LRLPYVXCNLUGRA-MAUKXSAKSA-N 480.432 2.284 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@H](OC)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1760190671 TZWWEVQKEAZTAG-YADHBBJMSA-N 465.579 2.278 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 1760193472 GKJZJSMDWTVUMP-QHCPKHFHSA-N 483.576 2.289 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2nccc(C(F)F)n2)CC1 1760264400 LZSBXIJHVRODNB-UHFFFAOYSA-N 464.480 2.260 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CC(=O)NCCC)CC1 1760264419 MYZZTLWYOVIWIN-UHFFFAOYSA-N 465.385 2.445 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N1CCN(C(=O)NC)CC1 1760323395 CPGPNCAIGNRRRB-DYESRHJHSA-N 458.538 2.439 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)NCCC)CC1 1760323805 GPZIBQGQMIVRQI-DENIHFKCSA-N 458.607 2.124 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](OCC)C1 1760412647 PBVZHOFFTTXOJQ-ROUUACIJSA-N 455.625 2.219 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1 1760520182 FEYFXHDUWNPWKA-UHFFFAOYSA-N 467.961 2.202 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCN(c3cccc([N+](=O)[O-])c3)CC2)nnc1C(C)(C)C 1760558338 MLLQVCMZSYYFCY-UHFFFAOYSA-N 462.576 2.411 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1764127128 BMZHJFOIBKRQCD-BXKMTCNYSA-N 484.580 2.307 30 10 JEEE CS(=O)(=O)NC[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(F)cn2)C1 1771364162 BMCLVFZNNQVGFX-SFHVURJKSA-N 499.572 2.077 30 10 JEEE CCn1cc(OCC(=O)Nc2sc3c(c2C#N)CCC3)c(=O)cc1CN(CCOC)CCOC 1870324272 CMPPNMVOKGRPJI-UHFFFAOYSA-N 488.610 2.402 30 10 JEEE CN(C)C1CCN(Cc2cc(=O)c(OCc3ccc(C#N)cc3)cn2CCN2CCOCC2)CC1 1870347962 BUJMVRHNYQGBLW-UHFFFAOYSA-N 479.625 2.157 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)Nc2ccc3c(c2)OCO3)cn1CCN(C)C 1870433155 IZFRJAGNNJPNIU-UHFFFAOYSA-N 468.554 2.330 30 10 JEEE C=CCn1cc(OCC(=O)Nc2ccc3c(c2)OCO3)c(=O)cc1CN1CCC(N(C)C)CC1 1870434252 FVJFXDAIRHUIHJ-UHFFFAOYSA-N 468.554 2.307 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)N(C)C[C@H]2CCCO2)cn1CCN(CC)CC 1870550322 QMFHATMFUNDLQR-HSZRJFAPSA-N 474.646 2.380 30 10 JEEE Cc1cc(S(=O)(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)ccc1Br 1889659596 NHKILLRLWAULRR-UHFFFAOYSA-N 484.460 2.178 30 10 JEEE COc1ccc([C@H]2[C@H](C(=O)N3CCN(c4ncccc4C#N)CC3)SCC(=O)N2C2CC2)cc1 1892138382 LAMFGTOLJSXMBF-XZOQPEGZSA-N 477.590 2.458 30 10 JEEE C#CCN(C(=O)[C@H](F)C1(O)CN(C(=O)OC(C)(C)C)C1)C1CCN(C(=O)OC(C)(C)C)CC1 2136185511 JFRAQZLBOIKFFC-KRWDZBQOSA-N 469.554 2.168 30 10 JEEE CN(C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)[C@H]1CC[C@@H]1NC(=O)OCc1ccccc1 2247804893 NBFYGZULDMLBKU-ROUUACIJSA-N 454.336 2.238 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@H]1CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2247880730 KMHHRRWKQGKGBG-STQMWFEESA-N 458.411 2.239 30 10 JEEE Cn1nc(C(=O)N2CCC(NC(=O)OCc3ccccc3)CC2)cc1B1OC(C)(C)C(C)(C)O1 2255657814 USPQQFYDDLZFEC-UHFFFAOYSA-N 468.363 2.250 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H]1NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2255752258 HPXUJHYFMXWVNT-WMLDXEAASA-N 452.382 2.177 30 10 JEEE CC(C)(C)OC(=O)NCCONS(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2255801250 ZNAAJKAFUKULIH-UHFFFAOYSA-N 476.788 2.374 30 10 JEEE CC(C)(C)OC(=O)N1CC(NS(=O)(=O)Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2255932483 CISALOLDJMDNJJ-UHFFFAOYSA-N 452.382 2.025 30 10 JEEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)N(C)Cc1cc(B2OC(C)(C)C(C)(C)O2)cs1 2256613921 KOMRCFRHISBLOW-CZUORRHYSA-N 454.398 2.280 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CC1CCC1)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2256679454 WSBARXMZQILMSW-ZDUSSCGKSA-N 452.386 2.281 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCCN(OC)C(=O)OC(C)(C)C 2267122535 MHUQSTAEYIQYLC-UHFFFAOYSA-N 452.361 2.121 30 10 JEEE CC(C)(C)OC(=O)NCC1CN(S(=O)(=O)Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2267472187 ZHRXPZDWDPHUSY-UHFFFAOYSA-N 466.409 2.272 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H](NC(=O)OC(C)(C)C)C(C)C 2267529439 LPXGFNOMQYXWHU-HNNXBMFYSA-N 450.389 2.307 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@](CO)(NC(=O)c2ccc(F)cc2B2OC(C)(C)C(C)(C)O2)C1 2281791105 NMQQZIVPICGZCH-QHCPKHFHSA-N 464.343 2.227 30 10 JEEE Cn1cc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]3CC[C@H]23)c(B2OC(C)(C)C(C)(C)O2)n1 2281971839 KXCNXICYJLASMA-DJIMGWMZSA-N 460.384 2.237 30 10 JEEE Cc1nn(C)c(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]3C[C@H]23)c1B1OC(C)(C)C(C)(C)O1 2281992020 IODVCIYJOVHWLS-BZUAXINKSA-N 460.384 2.155 30 10 JEEE Cn1cc(C(=O)N2[C@H]3CCC[C@H]2CN(C(=O)OC(C)(C)C)C3)nc1B1OC(C)(C)C(C)(C)O1 2282047413 YAUZTWSJVZNBKL-HOTGVXAUSA-N 460.384 2.333 30 10 JEEE CCn1cc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]3C[C@@H]32)nc1B1OC(C)(C)C(C)(C)O1 2282052120 LKWPAVQNIGTIEP-INMHGKMJSA-N 460.384 2.330 30 10 JEEE CC(C)(C)OC(=O)N[C@]12C[C@H]1CN(S(=O)(=O)Cc1ccccc1B1OC(C)(C)C(C)(C)O1)C2 2282507681 LDVJLBRGBRRCSF-SBUREZEXSA-N 478.420 2.415 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@]12CCCN(C(=O)OC(C)(C)C)C[C@@H]1C2 2282536180 YZOGDYLVRYKIFM-WNSKOXEYSA-N 460.384 2.239 30 10 JEEE Cn1cc(C(=O)NCC[C@@H](NC(=O)OC(C)(C)C)C(F)(F)F)c(B2OC(C)(C)C(C)(C)O2)n1 2282577415 DVQSPMUWTRYRLD-CYBMUJFWSA-N 476.305 2.295 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2CCO[C@@]2(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)C1 2282608128 QLCPJKBDDDNDBM-PEBXRYMYSA-N 479.408 2.198 30 10 JEEE CC(C)(C)OC(=O)N(CCO)[C@H]1CCCN(C(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)C1 2282618559 NASJQGVDMLWIRF-HNNXBMFYSA-N 481.424 2.276 30 10 JEEE CC1(C)OB(c2cc(F)c(C(=O)N3C[C@H]4C[C@H]3CN4C(=O)C(F)(F)F)cc2F)OC1(C)C 2282709613 YLXYCERIBCJVSX-WDEREUQCSA-N 460.208 2.252 30 10 JEEE CN(Cc1csc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)CN1CC(CNC(=O)OC(C)(C)C)C1 2283954258 CLIVUZVMDUTRDQ-UHFFFAOYSA-N 479.452 2.462 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1CC(=O)N=c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)[nH]1 2284059873 JJSKBJCFQKROID-DZGCQCFKSA-N 481.786 2.324 30 10 JEEE CC(C)(C)OC(=O)NCCOCC(=O)N1CCc2scc(B3OC(C)(C)C(C)(C)O3)c2C1 2336496534 BFSUQCKUUHXCPI-UHFFFAOYSA-N 466.409 2.473 30 10 JEEE Cc1c(C(=O)N2C[C@@H]3CC[C@H]2[C@H]3NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2359279071 PKTJSEYIJMCPKL-ZOBUZTSGSA-N 460.384 2.155 30 10 JEEE C[C@@H]1C[C@@H](CNC(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)CN(C(=O)OC(C)(C)C)C1 2362348118 NHFJTKJLPCKPBV-CVEARBPZSA-N 462.400 2.342 30 10 JEEE Cn1cnc(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 2362348281 PDGLSNZZIVWEBP-OAGGEKHMSA-N 460.384 2.237 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 2362352902 HKBJKOKLHYXCMK-HNNXBMFYSA-N 460.384 2.239 30 10 JEEE COC(=O)C1(Nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C#N)CN(C(=O)OC(C)(C)C)C1 2364943448 PWZZQNLQBXHCTI-UHFFFAOYSA-N 457.336 2.432 30 10 JEEE C=C(C)CN1C(=O)COc2cc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)ccc21 12234007 QPNYNYBJNPMQNN-UHFFFAOYSA-N 471.535 2.261 30 10 JEEE CC#CC[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 757486936 SJJCLFYBBOCUPW-ZHRRBRCNSA-N 450.491 2.259 30 10 JEEE C=CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC(=O)N(C)C[C@@H]1C(=O)O 757526002 KKXNWDHCQLVVGX-FGZHOGPDSA-N 477.517 2.224 30 10 JEEE C=CCNC(=O)CN1CCN(C(=O)/C=C\c2ccc(OCc3c(C)noc3C)c(OC)c2)CC1 758661054 XMADUBLCFCUCRS-CLFYSBASSA-N 468.554 2.339 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@](C)(O)[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1286391801 JFJJYSCINIRUTE-BLIXFSHQSA-N 450.630 2.354 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1Cc1cccc(Br)n1)[C@H]1CCS(=O)(=O)C1 1286392084 KRCKGRYEMPJDAZ-INIZCTEOSA-N 464.389 2.063 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1CCC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1286396731 YRRLEZCVXMZLRR-FQEVSTJZSA-N 460.575 2.451 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](OC)C(C)C 1286468139 ZLSLJTCCKXZWJU-MOPGFXCFSA-N 465.595 2.344 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2nc(C(C)C)cs2)CC1 1286469890 NUBQOARSBBUZAL-UHFFFAOYSA-N 450.572 2.309 30 10 JEEE C#CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1286499720 KCMXGBYEZKRXMP-LJQANCHMSA-N 479.404 2.443 30 10 JEEE C=C(Br)Cn1c(C2CCC2)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 1286537494 DKKSULBCUQADML-UHFFFAOYSA-N 476.441 2.331 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1286784647 OUUGQNKQBZGFBC-UHFFFAOYSA-N 466.571 2.262 30 10 JEEE CC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCCS2(=O)=O)CCO1 1293636250 BKLBUOHCHDWNMP-ICSRJNTNSA-N 459.572 2.311 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCN1CCCO[C@@H](C)C1 1300307536 GCWGBLUCDJNLTI-SFTDATJTSA-N 466.634 2.411 30 10 JEEE C#CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC[C@H](C(=O)NC)C1 1300356750 FJEVWERBJWBTKN-SFHVURJKSA-N 461.570 2.441 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H](C)COC)[C@H]1CCS(=O)(=O)C1 1300484660 UMGFVJQYTFIPOD-WBVHZDCISA-N 468.526 2.456 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H](c1cccc(F)c1)N(C)C)[C@H]1CCS(=O)(=O)C1 1300487953 NQBKPYXWPKREFE-UNMCSNQZSA-N 482.585 2.409 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccc(F)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 1300496537 SBPNAJJQWVSPCU-HZPDHXFCSA-N 452.939 2.250 30 10 JEEE C#CCN(c1nnc(CC)n1Cc1ccc(OC)c(OC(F)F)c1)[C@@H]1CCS(=O)(=O)C1 1300497377 AWUCZGACWGFRPD-OAHLLOKOSA-N 454.499 2.126 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H](C)c1ccc(OC)cc1 1300578072 GWKVBYRDURKNER-NZQKXSOJSA-N 499.637 2.276 30 10 JEEE C=C(Br)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(CC(=O)NCCOC)CC1 1300830090 PCMWZQKLWGDAKK-UHFFFAOYSA-N 497.825 2.392 30 10 JEEE C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC(C)(C)C1 1300848677 HLPASQMAEJDDQT-CQSZACIVSA-N 462.414 2.146 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccnc1OC 1301348545 CRRIYUZDMGLUNL-NRFANRHFSA-N 498.609 2.256 30 10 JEEE C=CCS(=O)(=O)CCn1c(CSc2ccc(Cl)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C 1301593643 RTXLGKJLYPCJPJ-HNNXBMFYSA-N 484.047 2.492 30 10 JEEE CC(C)n1nc(-c2nnc(N(C)[C@@H](C)CC#N)n2CCN2CCCS2(=O)=O)c2ccccc2c1=O 1303635378 FDVWWUWVCMLAII-KRWDZBQOSA-N 498.613 2.010 30 10 JEEE CC[C@@H](C)NC(=O)c1cccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@@H](C#N)C2)c1 1305622735 IDTTVDRTUMZMCK-XLIONFOSSA-N 488.552 2.231 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CC1(S(C)(=O)=O)CCC1)[C@@H]1CCS(=O)(=O)C1 1358958906 YETLLVRSUIEIJI-GOSISDBHSA-N 497.042 2.193 30 10 JEEE C#CCN(c1nnc(CSc2ccccc2OC)n1C[C@@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1358967407 JUOQXSOGQXOMSM-JTSKRJEESA-N 478.640 2.367 30 10 JEEE C#CCN(CC)c1nnc(-c2ccc(Br)cc2)n1CCOCCS(C)(=O)=O 1359003649 SCWMHNXIHLLEOV-UHFFFAOYSA-N 455.378 2.228 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cc(Br)ccc1OC 1359023164 BSYKNUXWVQXTAT-INIZCTEOSA-N 462.348 2.135 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCNC(=O)C(C)(C)C)CC1 1359029654 DKCUQJPTJCYSTB-SFHVURJKSA-N 456.566 2.475 30 10 JEEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CC2(C(=O)N(C)C)CCCC2)CC1 1359037285 CYESWPGTPDSYIX-UHFFFAOYSA-N 455.632 2.038 30 10 JEEE C[C@@H](CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1)N1CCCCC1 1360508453 CDVYSFPLGIQKTP-FPOVZHCZSA-N 493.678 2.006 30 10 JEEE C=CCSCCNC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1 1458836357 YPXKJEPODWQFFM-UHFFFAOYSA-N 453.630 2.347 30 10 JEEE C=CCOc1ccc(Br)cc1NC(=O)NCCNS(=O)(=O)Cc1ccon1 1466816660 KCDLAECXEQRXFJ-UHFFFAOYSA-N 459.322 2.243 30 10 JEEE N#CCC1(O)CN(C(=O)c2cccc(S(=O)(=O)Nc3ccc(Br)cc3)c2)C1 1467235580 HDBUNZCAINMQPP-UHFFFAOYSA-N 450.314 2.350 30 10 JEEE CN(CCNS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(C)OCCc2sccc21 1503621546 GWDNGZOTPJZKDV-QFIPXVFZSA-N 486.623 2.352 30 10 JEEE CO[C@@H]1CCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccccc2C#N)CC1 1504469208 CUXNLFAOYZMTFQ-PZJWPPBQSA-N 451.575 2.430 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@@H](OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1507639056 IYPRHBZAETZDKE-TZIWHRDSSA-N 458.584 2.217 30 10 JEEE C#CCN(c1nnc(Cn2ccc3ccccc32)n1C[C@H](C)COC)[C@@H]1CCS(=O)(=O)C1 1507640363 QKCZGNIUBRFKFD-AZUAARDMSA-N 455.584 2.190 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCN(c2ccccc2OC)C1 1507669396 LMUNVZLHWVROEJ-SFTDATJTSA-N 481.622 2.178 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCN1CCCO[C@@H](C)C1 1507708783 NHWPOIKMJVUWOY-FQEVSTJZSA-N 469.586 2.303 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2Cc2ccc(N(C)C)nc2)CC1 1507717766 INMKRKVDQUVIIO-UHFFFAOYSA-N 491.596 2.235 30 10 JEEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1507751062 CYDCZSCJZGCFAO-GOSISDBHSA-N 455.632 2.052 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1507802694 COSNSDWKRBUMMS-JYWFKMLOSA-N 473.549 2.490 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC(C(=O)OC)CC1 1508090647 OXNFVEHHLUAWLC-GOSISDBHSA-N 490.605 2.084 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(C(=O)C(C)C)CC1 1508144547 UTMKQKROHPPVJY-UHFFFAOYSA-N 489.642 2.379 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CCNS(=O)(=O)c1ccc(C)s1 1539023344 UIKSYXFQPQBUSC-MRXNPFEDSA-N 483.623 2.323 30 10 JEEE C#CCCCn1c(COc2ccccc2F)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1539139704 MRBWWPSXYBBUFR-UHFFFAOYSA-N 463.517 2.230 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CC=CCO1)[C@@H]1CCS(=O)(=O)C1 1539206647 TXFSVHYDVKHYIS-CVEARBPZSA-N 480.388 2.008 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCCOC1CCCC1)[C@H]1CCS(=O)(=O)C1 1539220535 KJVHSPRGPMZABJ-AZUAARDMSA-N 450.605 2.496 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1Cc1ccc(N(C)C)nc1)[C@@H]1CCS(=O)(=O)C1 1539231743 XPCSESFHSNMEGR-HXUWFJFHSA-N 498.584 2.132 30 10 JEEE C#CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1539505692 CQERQRAFAPPTFZ-UYAOXDASSA-N 499.637 2.450 30 10 JEEE C=C(Cl)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@]2(CCC(=O)N2)C1 1539803713 MFVZHHCLXJWWLA-QVKFZJNVSA-N 466.970 2.198 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCNC(=O)c2cccc(C)c2)CC1 1539890032 HLGJJQPXLKZHMB-HXUWFJFHSA-N 457.600 2.321 30 10 JEEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2nccc(OC)n2)CC1 1540014050 ZGTDYVRRRHFCLU-UHFFFAOYSA-N 468.587 2.361 30 10 JEEE C[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(S(C)(=O)=O)CC1)N(C)C1CC1 1541865012 HGORSBKWVHUCEK-QGZVFWFLSA-N 472.615 2.225 30 10 JEEE CCc1nn(C)c(OC)c1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(C)C)C(=O)C1 1546394302 AYRNTWUJJYRXQG-UHFFFAOYSA-N 476.585 2.474 30 10 JEEE CCNC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(C)s2)CC1 1547767604 BKKQCGWJMWSGGB-UHFFFAOYSA-N 479.610 2.405 30 10 JEEE CCOCC(=O)N1CCC2(CC1)CN(c1ccc(C#N)c(C(F)(F)F)c1)C[C@H]2C(=O)NCCOC 1548379733 YQJUWQJUDZLBAR-FQEVSTJZSA-N 496.530 2.421 30 10 JEEE C#C[C@H](C)N(C)c1nnc(Cc2ccccc2OC)n1CCCN1CCC[C@H]1C(=O)N(C)C 1587650399 BMLGEXKWUSCDOO-FPOVZHCZSA-N 452.603 2.278 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@H](CC)OC)[C@H]1CCS(=O)(=O)C1 1588040203 JIOLRSSNLOQHSI-IRXDYDNUSA-N 462.572 2.014 30 10 JEEE C#CCN(c1nnc(CCCc2ccccc2)n1CC1([S@@](C)=O)CCC1)[C@@H]1CCS(=O)(=O)C1 1588069362 MFSUYJMPHUSACD-XFSFLGPDSA-N 488.679 2.381 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1588604161 CPUPCMJPWNDEAT-MOPGFXCFSA-N 493.033 2.284 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCN1CCC[C@H](C)C1 1588628398 IAKMHXBAMKGWAR-FQEVSTJZSA-N 477.613 2.493 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1589484096 RBALMAKLWJWLJN-JENIJYKNSA-N 462.595 2.455 30 10 JEEE C=C(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1593621521 SWFXODMOXVJZFS-UHFFFAOYSA-N 485.614 2.111 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@]1(C)CN(C)C1=O 1595307563 CVQJZAYXWKXWRV-SBUREZEXSA-N 462.595 2.467 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 1595516757 IGUJLADZQBVJJB-UHFFFAOYSA-N 484.557 2.470 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1595523534 XOOVDQIJCANEBJ-IRXDYDNUSA-N 455.563 2.382 30 10 JEEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)Cc1ccccc1F 1595529654 CBYRIENTCNLTMA-UHFFFAOYSA-N 471.562 2.316 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCN2CCCS2(=O)=O)C1 1595688400 IKRSCKDAUJHECH-GOSISDBHSA-N 483.541 2.363 30 10 JEEE CCn1nc(-c2nnc(N(C)C[C@H](C)C#N)n2CC2CCS(=O)(=O)CC2)c2ccccc2c1=O 1615898185 DJHIDWIEDDNDAS-MRXNPFEDSA-N 483.598 2.096 30 10 JEEE C=CCN(C(=O)c1cnn2c1C[C@@H](CNC(C)=O)CC2)[C@H](Cc1ccccc1)C(=O)OCC 1625220129 FGNIKYRZBWVTFA-NZQKXSOJSA-N 452.555 2.384 30 10 JEEE C=CCN1CC[C@@H](N(C)C(=O)[C@H](CC(=O)OCc2ccccc2)NC(=O)OC(C)(C)C)C1=O 1635209355 CIWBYYLXOSWKSX-RBUKOAKNSA-N 459.543 2.259 30 10 JEEE CC#CCNC(=O)Nc1ccc(N2CCOCC2)c(S(=O)(=O)Nc2ccccc2OC)c1 1657622015 FKOAPINWNRIQDI-UHFFFAOYSA-N 458.540 2.477 30 10 JEEE C#C[C@H](NS(=O)(=O)c1cc2c(cc1OC)NC(=O)CO2)c1ccc(Br)cc1 1663549310 XOMZKHLQKRFAPL-ZDUSSCGKSA-N 451.298 2.441 30 10 JEEE C#C[C@H](NC(=O)N1CCN(c2nc(N)nc(C3CC3)n2)CC1)c1ccc(Br)cc1 1682357288 WMKKUOLBWWNDDZ-INIZCTEOSA-N 456.348 2.300 30 10 JEEE CN(CCN1CCN(c2ccccc2)CC1)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1686055054 GLFRTHABFIGILZ-PZJWPPBQSA-N 456.591 2.209 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCS(=O)(=O)CC1CC1 1689866885 MJFAUWXVPCJDBO-RYQLBKOJSA-N 465.620 2.332 30 10 JEEE C#CCCCn1c(-c2ccc(OC)cc2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1689921113 UVCRDCGEAZLNIN-CVDCTZTESA-N 450.587 2.356 30 10 JEEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@H](C(C)C)N1CCOCC1 1689972693 YDQAKTIGIWDQIG-RUZDIDTESA-N 479.673 2.069 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)N(C)C1CCCCC1 1690020123 ZDVJBQMOKFPNCD-NRFANRHFSA-N 498.628 2.450 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1c(CC)nn(C)c1OC 1690044004 VUAFQGQLTAKJNJ-UHFFFAOYSA-N 470.537 2.410 30 10 JEEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)CCCS(C)(=O)=O 1690159599 GMFBDJDXBKUQEL-UHFFFAOYSA-N 460.423 2.273 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cc(Br)cn2C)nnc1N1CCNC(=O)CC1 1690239099 RFCSXLXQBDAZCG-RDTXWAMCSA-N 463.380 2.354 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCn1cnc2ccccc21 1690264696 ARERBXVPTFVWJK-OAQYLSRUSA-N 487.630 2.453 30 10 JEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(c2ccccc2CO)CC1 1690485356 QIWWOQIPZIUEAD-QFIPXVFZSA-N 489.642 2.454 30 10 JEEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1690508950 SWWRJOJLWVSLHZ-YPAWHYETSA-N 474.650 2.001 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC[C@H](C[C@@H]3CCOC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1690677335 UXTUIPRVLSXJMY-JXALWOEJSA-N 461.607 2.264 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)c2cccs2)C1 1690700768 XOGZZWXOGZIIBQ-MSOLQXFVSA-N 495.671 2.432 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@H]2COc3ccccc3O2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1691003370 GKLCZUCGNKKZDC-XQBPLPMBSA-N 481.601 2.329 30 10 JEEE CC(C)NS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@@](C)(C#N)C1 1692571732 FEUCTWSZDSEAMA-NRFANRHFSA-N 460.560 2.132 30 10 JEEE CCc1nc(CCn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@H](C(=O)NC)C2)cs1 1694582504 AYZUGAIOVWQACG-SFHVURJKSA-N 451.556 2.030 30 10 JEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CC1(SC)CCN(C)CC1 1705585119 LGJZNZQKOZQOQN-UHFFFAOYSA-N 456.641 2.170 30 10 JEEE C#CCN(CC#CC)c1nnc(Cc2c[nH]c3ccccc23)n1CCS(=O)(=O)NC(C)C 1705600085 LMLVDJSVPZUGDI-UHFFFAOYSA-N 452.584 2.141 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1([S@](C)=O)CC1 1705603668 SPALFWGCIBGSDT-OKJTYZQLSA-N 459.616 2.423 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CC12CCOCC2 1705619305 MVWNFNIBNWAQEY-IEBWSBKVSA-N 475.590 2.484 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1(S(C)(=O)=O)CCCC1 1705623286 MNZRNMHNLXRKBV-UHFFFAOYSA-N 461.544 2.297 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1705634881 LCTDKENHSKXWEL-RBUKOAKNSA-N 460.376 2.003 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2cccc(C(C)(C)O)c2)CC1 1705634902 LVYDRLYVVQLBIX-SANMLTNESA-N 467.614 2.350 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2C[C@H](C)N(CC)CC)CC1 1705646042 OYNXDEGNYMKFAV-SFHVURJKSA-N 466.586 2.370 30 10 JEEE C=C(C)COCCn1c(-c2cccnc2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1705734830 ZLTUYWRVOIRSAF-QHCPKHFHSA-N 469.634 2.164 30 10 JEEE C=CCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 1705891357 YUAXXARVYXQRSU-LJQANCHMSA-N 451.568 2.071 30 10 JEEE CC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)C(=O)NC)CCN1CCOC 1709335179 HKZDUMLBNAXJFC-FQEVSTJZSA-N 453.591 2.136 30 10 JEEE C#CCCCn1c(N2Cc3c(OC)ccc(OC)c3[C@H](O)C2)nnc1[C@@]1(OCC)CCOC1 1722338209 GOVHSEZFIPDVPH-HOYKHHGWSA-N 456.543 2.414 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCCC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1722363943 DCGVBDLUDANVJG-FQEVSTJZSA-N 477.656 2.467 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1Cc1ncccc1C)[C@H]1CCS(=O)(=O)C1 1722364595 LYVPQYRLQIDYPL-INIZCTEOSA-N 489.399 2.414 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC1(OCC)CCCC1)[C@@H]1CCS(=O)(=O)C1 1722365321 DDIOHRPBIOSEDU-RTBURBONSA-N 450.605 2.148 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc[nH]2)n1C[C@@H]1C[C@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1722377936 MBIOWODCIQGAIC-BJLQDIEVSA-N 450.543 2.370 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1CCS(=O)(=O)CC1 1722392017 CRBUDAGGMFIKLA-UHFFFAOYSA-N 454.552 2.004 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)cn3C)n2Cc2cc(C)nn2C)CC1 1722444316 WNQYCPTVXRXAAV-UHFFFAOYSA-N 499.417 2.102 30 10 JEEE C#CCSCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1722450581 ABKPVHMFZKJQBN-IRXDYDNUSA-N 481.619 2.394 30 10 JEEE C=CCSCCn1c(N2CCCC[C@@H](S(C)(=O)=O)C2)nnc1[C@@]1(OCC)CCOC1 1722739410 IMUSTMRXGYNOPH-YLJYHZDGSA-N 458.650 2.253 30 10 JEEE C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC1Cc2ccccc2C1 1723778163 DTZZQCGKUQGSJZ-DYESRHJHSA-N 472.615 2.154 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CC1(N2CCOCC2)CCCCC1 1723940711 CLRZHTHRSYZYCA-DENIHFKCSA-N 493.678 2.053 30 10 JEEE C#CCCCn1c(-c2ccc(Br)s2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1740583278 XXVHQNKRULMSTK-UHFFFAOYSA-N 493.431 2.356 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCOCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1740625201 OUXBFNZUXNJMBU-OAQYLSRUSA-N 485.635 2.477 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1C[C@H]1CCS(=O)(=O)C1 1740630540 CFHVAVQPNGHUOO-RTBURBONSA-N 456.568 2.324 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(OCC(N)=O)CC1 1740755892 MEQSHCHPOGXEEY-SIKLNZKXSA-N 450.543 2.269 30 10 JEEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(=O)c2ccc(Cl)cc2)CC1 1740778912 GYIYMDWSZUYTON-MRXNPFEDSA-N 481.022 2.470 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1740953875 UHXSRPARFAWQPY-LJQANCHMSA-N 462.558 2.151 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCCN(C(C)=O)CC1 1740954945 JPHZJIWKJPTSSH-UHFFFAOYSA-N 470.574 2.102 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(Cc3cccnc3)n2Cc2cccc(S(=O)(=O)NC)c2)C1 1740979620 BAHYGAFADGVMDI-FQEVSTJZSA-N 468.583 2.002 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccc3F)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1740982162 UGKRDWNEEJVOHJ-HKUYNNGSSA-N 463.579 2.071 30 10 JEEE CC(C)(C)OC(=O)N(CCn1c(Cc2ccccn2)nnc1N1CCO[C@H](C#N)C1)C1CC1 1741210937 AJZPCGRKLJYIGC-LJQANCHMSA-N 453.547 2.392 30 10 JEEE CC(C)C(=O)NCCn1c(Cc2ccccn2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1741296380 HOEWWTPXCMTNRU-UHFFFAOYSA-N 472.597 2.230 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC(C)(C)C(C)C 1741675513 BQKQDRCMRJYNTR-QGZVFWFLSA-N 453.595 2.475 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCC(=O)NC1CC1 1748673386 GNZUZESURQWDJU-WMZOPIPTSA-N 460.579 2.103 30 10 JEEE COc1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CC[C@@](F)(C#N)C2)c(OC)c1 1748782529 DGRBQMSXFHQWDV-JOCHJYFZSA-N 451.462 2.433 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1[C@H]1C[C@H](c2ccc(F)cc2)C1)[C@H]1CCS(=O)(=O)C1 1748801926 JZMQXKOYZZPZGW-IHPCNDPISA-N 473.574 2.301 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H](C)SC)[C@@H]1CCS(=O)(=O)C1 1748808680 FYJBCGJHXYNOKC-NVXWUHKLSA-N 462.597 2.095 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@](C)(O)CC)CC1 1748989701 BGHITURREOUHJF-YADARESESA-N 460.623 2.309 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](CC(C)C)NC(=O)OCC)CC1 1749010823 XNFOYCMGQFMTQL-NHCUHLMSSA-N 488.633 2.299 30 10 JEEE C=C(Br)Cn1c(N2CCN3C(=O)CC[C@@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1749112410 HQEUBPSMHGYYLD-DNVCBOLYSA-N 454.369 2.038 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2nc(CC)ns2)CC1 1749115508 RUEARYPFHKBUDL-AEFFLSMTSA-N 474.635 2.138 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(CN(C)C(C)C)CC1 1749118359 FVHIXZWVKMYDJD-GIVPXCGWSA-N 482.695 2.426 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccc(F)c1 1749159065 NZXPJIZWWBMEAD-LJQANCHMSA-N 451.568 2.395 30 10 JEEE C=C(C)COCCn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1749219821 UHHFXALPNQXNAG-KRWDZBQOSA-N 450.561 2.178 30 10 JEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(F)(F)CNC(=O)OC(C)(C)C)CC1 1749329510 NXEOHJOANORGRG-CQSZACIVSA-N 492.593 2.451 30 10 JEEE C=CCCOCCn1c(Cc2ccncc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1749459646 PWMQMOWOWABQQX-LJQANCHMSA-N 459.558 2.233 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCNC(=O)OC(C)(C)C)C1 1749699066 YZMRYXMEIVDVNP-VGSWGCGISA-N 451.568 2.236 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2CC[C@H](N2CCOCC2)C(F)(F)F)C1 1749707115 USFVMPBWIUQIKW-ROUUACIJSA-N 469.512 2.113 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC[C@@H](C(N)=O)C1 1749724969 PAUPZGBDSLKPAH-JKSUJKDBSA-N 477.656 2.434 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1cnn(C)c1 1749741216 UCEYDOXNIJFHAY-QZTJIDSGSA-N 450.609 2.167 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H]1CCS(=O)(=O)C1 1750075841 IDWQBMVGLFJLHY-IRXDYDNUSA-N 480.635 2.423 30 10 JEEE CC(C)NS(=O)(=O)CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@H](C)CC#N 1751004737 IFMPCTDIMKPUJN-QZTJIDSGSA-N 497.666 2.459 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2CCCc2nnc(C)s2)c1 1760128056 WNMDXEWVDMRORD-UHFFFAOYSA-N 492.609 2.249 30 10 JEEE C#CCCCCn1c(N2CCN(c3nc(CC)ns3)CC2)nnc1[C@]1(OCC)CCOC1 1760142440 CEYGOJYZMURIKS-QFIPXVFZSA-N 459.620 2.474 30 10 JEEE C#CCCCn1c(N2CCN(C(=O)c3ccccc3O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1760160080 YNTXEVOGKXRGRG-RUZDIDTESA-N 467.570 2.400 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCc1cccc(C)n1)[C@H]1CCS(=O)(=O)C1 1760182189 BRJIWKFUVJGEFH-QFIPXVFZSA-N 460.563 2.390 30 10 JEEE C#CCN(c1nnc(CC2CCCC2)n1CCCN1CCCCCC1=O)[C@@H]1CCS(=O)(=O)C1 1760191557 JMLMNNHSWBTHQJ-OAQYLSRUSA-N 475.659 2.430 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCOCC2)CC1 1760412953 VDMKLFSPEOVLDP-SFHVURJKSA-N 451.637 2.084 30 10 JEEE C=CCN(Cc1cccs1)c1nnc(Cn2nc(C)cc2C)n1CCN1CCCS1(=O)=O 1760488403 UKIJWDGIAABVEO-UHFFFAOYSA-N 475.644 2.429 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2OC)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1760558458 PNNCTPJZVDRYQY-MOPGFXCFSA-N 475.615 2.139 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@@H]1CCCS(=O)(=O)C1 1762235688 AIIYLXRIYYTQCZ-KRWDZBQOSA-N 450.609 2.151 30 10 JEEE CCOc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCN2CCSCC2)cc1OC 1765992388 AJXCQCLUYRODKC-GOSISDBHSA-N 458.588 2.130 30 10 JEEE COc1cc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H](C)CN2CCOCC2)cc(OC)c1OC 1769816808 GGYSBECMOWHZFW-XDHUDOTRSA-N 488.564 2.381 30 10 JEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1ccccc1)N1CCCC1 1772564413 XJOLTMZXZQVHPK-NHCUHLMSSA-N 474.631 2.070 30 10 JEEE CCCCCCCCNC(=O)[C@@H]1C[C@H](O)CN1C(=O)[C@@H]1CC(=O)N(c2ccccc2C(=O)OC)C1 1861606413 FLSASXWEZUYSCE-DXIQSLLYSA-N 487.597 2.265 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCNC(C)=O)[C@H]2c2ccc(OC)c(O)c2)cc1C 1862403802 FHCFKVMPUHMEBF-NRFANRHFSA-N 454.479 2.432 30 10 JEEE C=CCN1C(=O)C(NCc2ccc(S(N)(=O)=O)cc2)=C(c2ccc(OCCC)cc2)C1=O 1863683589 VDUYDNYVNHGWGD-UHFFFAOYSA-N 455.536 2.179 30 10 JEEE Cc1ccc([C@@H](C#N)NC(=O)CNC(=O)c2ccc3c(c2)C(=O)N([C@@H](CC(C)C)C(=O)O)C3=O)cc1 1867462219 UVMFQKYKOFKFPQ-RTWAWAEBSA-N 490.516 2.201 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)N(C)Cc2ccccc2)cn1CCOCCO 1870507020 MXZZXVKXFYQCFG-UHFFFAOYSA-N 469.582 2.069 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)N(C)C[C@H]2CCCO2)cn1Cc1ccccn1 1870550670 UDQXHCUBJGELAF-HSZRJFAPSA-N 466.582 2.482 30 10 JEEE C=CCn1cc(OCC(=O)N2CCOCC2)c(=O)cc1CN1CCN(C/C=C/c2ccccc2)CC1 1870581935 KGTSTSOCUSYWTL-RMKNXTFCSA-N 492.620 2.103 30 10 JEEE C=CCn1c(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc2c(N3CCC(C(N)=O)CC3)ncnc21 1873562740 QNXVNGLPYBGFSO-UHFFFAOYSA-N 491.571 2.421 30 10 JEEE CCOc1cc(/C=N/n2c(SCC(N)=O)nnc2C2CC2)ccc1OCC(=O)N(CC)CC 1874518636 CLUZUPQKOVILFC-WYMPLXKRSA-N 474.587 2.261 30 10 JEEE N#Cc1nccnc1OCC1CCN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2ccccc2)CC1 1892000859 NJMVGBOEQVVKLO-OAQYLSRUSA-N 469.567 2.209 30 10 JEEE CC[C@@H](C#N)S(=O)(=O)Nc1c(I)nc(C)nc1I 2058135306 SOBMXBKYSAEYGH-LURJTMIESA-N 492.080 2.038 30 10 JEEE C#CCN(C(=O)C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O)C1CCN(C(=O)OC(C)(C)C)CC1 2136179752 LYMAWDAUDNLDCX-HKUYNNGSSA-N 465.591 2.466 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@H]1C(=O)NCCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2180969514 XHNOAPMEXKHIOB-RTBURBONSA-N 460.380 2.184 30 10 JEEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(S(N)(=O)=O)cc1Br 2181110224 MIOLKQUKPSPEFY-AWEZNQCLSA-N 460.350 2.342 30 10 JEEE CC(C)(C)OC(=O)NC[C@]12CO[C@](C(=O)Nc3cc(B4OC(C)(C)C(C)(C)O4)ccn3)(C1)C2 2207229713 BKRKXOYYCAMADG-ZRZAMGCNSA-N 459.352 2.393 30 10 JEEE CC1(C)OB(c2cnsc2C(=O)NCC2CN(C(=O)OCc3ccccc3)C2)OC1(C)C 2243422982 PLCNGULEQJPPGX-UHFFFAOYSA-N 457.361 2.441 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1COCCN(C(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2255705542 WWJFCADIXMPSRF-CQSZACIVSA-N 452.382 2.413 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@H](O)CN(C(=O)c2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2255802986 IDRZYDLWAHBBLN-KBPBESRZSA-N 452.382 2.147 30 10 JEEE CC(C)(C)OC(=O)NCCONS(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2255931346 JPDZMTQEJWXSHL-UHFFFAOYSA-N 476.788 2.374 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](OCCNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)C1 2267151149 HITDSBOHXAJZST-CQSZACIVSA-N 467.397 2.198 30 10 JEEE Cn1nc(C(=O)N2CCCN(C(=O)OC(C)(C)C)CC2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2267500344 HOZZPWOKXRVWGQ-UHFFFAOYSA-N 468.791 2.456 30 10 JEEE CO[C@H](C)[C@@H](CC(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1)NC(=O)OC(C)(C)C 2268650373 IQMNMTGWYRPMSA-ZIAGYGMSSA-N 469.413 2.377 30 10 JEEE C[C@H](C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1)N1CCN(C(=O)OC(C)(C)C)CC1 2268655448 LWFLCDHZIALVLP-CQSZACIVSA-N 466.413 2.322 30 10 JEEE CC(C)(C)OC(=O)N[C@H](C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1)[C@@H](O)C(F)(F)F 2268719108 YOFFOLSDXLDPSK-WDEREUQCSA-N 481.302 2.197 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@]1(F)C[C@@H](NC(=O)OC(C)(C)C)C1 2281965193 IEGQVPRGQNJTJC-XLOAEROZSA-N 466.363 2.327 30 10 JEEE Cn1nc(C(=O)N[C@H]2CN(Cc3ccccc3)CC(F)(F)C2)cc1B1OC(C)(C)C(C)(C)O1 2281970931 GCKTUBIVALCXRH-QGZVFWFLSA-N 460.334 2.359 30 10 JEEE CC1(C)OB(c2nscc2C(=O)N2C[C@H](CNC(=O)C(F)(F)F)C3(CCC3)C2)OC1(C)C 2282004744 LNLJOCPUBOUBJX-LBPRGKRZSA-N 473.326 2.363 30 10 JEEE CCc1nc(C(=O)N(CCO)CCCNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2282027556 RVGKOWXKSWLZCK-UHFFFAOYSA-N 483.440 2.354 30 10 JEEE CC(C)(C)OC(=O)Nc1cc(CNC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)ccn1 2282029587 URLQZTWPNUXDHB-UHFFFAOYSA-N 455.324 2.448 30 10 JEEE Cn1cc(C(=O)N2CC[C@@H](C(C)(C)NC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2282040408 JAKARWUQZJBMGA-OAHLLOKOSA-N 462.400 2.485 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)NC1(C(=O)O)CN(C(=O)OC(C)(C)C)C1 2282131932 XKCJDALURQRZDT-UHFFFAOYSA-N 460.336 2.098 30 10 JEEE C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282354446 QOIWDMKIXHJILS-HOTGVXAUSA-N 481.424 2.305 30 10 JEEE CCn1cc(C(=O)N=[S@@](C)(=O)C2CN(C(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2282537262 NQPQROVTUYWADQ-XIFFEERXSA-N 482.412 2.060 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](CO)[C@H](NC(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)CC1 2282634009 GYMJOLAIZNIHIR-NVXWUHKLSA-N 464.368 2.317 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@]2(COCCN2C(=O)[C@H]2C[C@H]2B2OC(C)(C)C(C)(C)O2)C1 2282650523 NTWGTNXTGYXZSM-MFEFFIJZSA-N 466.384 2.334 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1S(=O)(=O)NN1CCN(C(=O)OC(C)(C)C)CC1 2282839423 CYZOYEDRUZBEFS-UHFFFAOYSA-N 481.424 2.040 30 10 JEEE COC(=O)[C@H](CC(=O)NCc1ccccc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2283944917 UGBVDMHXOCGILY-KRWDZBQOSA-N 462.352 2.058 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CCC(N)=O)C(=O)Nc1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2284121788 GHLWEFAXBVFIAW-MRXNPFEDSA-N 465.331 2.222 30 10 JEEE COc1ccc(C(C)=NNc2nc3c(c(O)nc(=O)n3C)n2C[C@@H](O)COc2ccc(C)cc2)cc1 2327754114 YUOHGCVCCYQKPX-GOSISDBHSA-N 492.536 2.429 30 10 JEEE CO[C@H]1[C@H](CNC(=O)[C@@H]2C[C@@H]2B2OC(C)(C)C(C)(C)O2)N(C(=O)OC(C)(C)C)C[C@H]1OC 2334262343 KBBOAHXUADLZTA-HMDCTGQHSA-N 454.373 2.234 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC1CC2(C1)CN(C(=O)OC(C)(C)C)C2 2362345185 AVPOUOCTMVKFQF-UHFFFAOYSA-N 460.384 2.096 30 10 JEEE CC[C@H](NCC(CO)(CO)NC(=O)OC(C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2363838179 HKNXTKKETABANN-IBGZPJMESA-N 464.412 2.275 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)n1C 2366856300 HPJILYNPIWWDIB-HRCADAONSA-N 460.384 2.155 30 10 JEEE O=C(NCC#Cc1ccc(N2CCNC2=O)cc1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 96351080 LNSKOYPWUNTFEJ-UHFFFAOYSA-N 466.563 2.172 30 10 JEEE C#CCN(C(=O)c1ccc(NS(=O)(=O)/C=C\c2ccccc2)cc1)[C@@H]1CCS(=O)(=O)C1 729331503 NXHHRTUMJDLICO-MJGOQDMVSA-N 458.561 2.362 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)O[C@H](C)C(=O)N[C@H]3CCN(Cc4ccccc4)C3)cc2C1=O 853260790 ICIBIJAVZKENQF-XLIONFOSSA-N 461.518 2.405 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCS(=O)(=O)CC=C 1286445536 MUMDXNQLNSBONA-GOSISDBHSA-N 465.620 2.453 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC)n2Cc2ccc(C)cc2O[C@H]2CCOC2)CC1 1286491236 JPQBQDJRDJYACR-NRFANRHFSA-N 451.571 2.331 30 10 JEEE C#CCSCCn1c(-c2ccc(Br)s2)nnc1N1CCO[C@H](C(=O)NC)C1 1286499722 UZFDBGAKYVUUKZ-LBPRGKRZSA-N 470.418 2.087 30 10 JEEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1286499959 QUXLVJMTGXVLHZ-UHFFFAOYSA-N 493.655 2.189 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1CN1CC[C@H](O)C1 1286582318 WMKCTGRRWFFOMD-VXKWHMMOSA-N 473.643 2.198 30 10 JEEE C=C(C)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1286594777 NVCBUMNQPCMCNZ-JOCHJYFZSA-N 452.603 2.391 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCSC(F)(F)F)C1CC1 1286738597 XSRGRVKBLFRMHX-ZDUSSCGKSA-N 455.528 2.019 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC[C@H](O)C1 1286746385 WRQHWTDQGZOXFO-FKBYEOEOSA-N 489.642 2.355 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 1286783852 NWCQXFRXZNACSZ-SFHVURJKSA-N 467.530 2.340 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@H]2CCCS(=O)(=O)C2)C1 1286807023 IPCFXJPGYOCBML-ICSRJNTNSA-N 460.600 2.484 30 10 JEEE CC(C)NC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1288208405 CGJDICRXSVOVAB-RUZDIDTESA-N 492.584 2.129 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(NC(=O)C2CCC2)c1 1300308789 QDLPMWKISPAQJH-VQIMIIECSA-N 455.584 2.425 30 10 JEEE C=C(C)COCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(C(C)=O)C[C@@H]1C 1300992428 ZCEXRNRFWWXMPF-SFHVURJKSA-N 479.585 2.325 30 10 JEEE C=CCCOCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(NS(C)(=O)=O)CC1 1301262065 QJHIJCAEESNZBI-RTBURBONSA-N 469.652 2.307 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1301506993 SRCZRGZOLSTBEV-HXUWFJFHSA-N 452.538 2.360 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCO[C@H](c3ccccc3)C2)nnc1[C@@]1(OCC)CCOC1 1301596139 ISUVREGEMMRWLJ-NZQKXSOJSA-N 476.599 2.109 30 10 JEEE C[C@H](CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(C#N)C1)N1CCCCC1 1303666864 FUINBOJKWUXNFK-ZRCGQRJVSA-N 493.678 2.006 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCCn1cc(Br)cn1 1303848410 HUMBIMCGJIEXQR-KSSFIOAISA-N 499.439 2.068 30 10 JEEE C=CCN1CCC(NC(=O)N2C[C@H]3C[C@H](NC(=O)OC(C)(C)C)C[C@@]3(C(=O)OC)C2)CC1 1311894179 UNKBDQZDSQLGND-WLENULPWSA-N 450.580 2.125 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCC(=O)N2)n1CCC(=O)N1CCCCC1 1316085549 BGGKAVWSLXUDQS-OAQYLSRUSA-N 479.585 2.156 30 10 JEEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1Cc1c(CC)nn(C)c1OC 1358941414 JKSSDRCKSXNDSV-UHFFFAOYSA-N 454.531 2.393 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCO[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1358959895 RNSPNUPIHRZLTC-YFVAEKQCSA-N 453.568 2.259 30 10 JEEE C#CCN(CCOC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1359018964 HGQXPPPLXZXSPV-ZTCOLXNVSA-N 462.591 2.133 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCCCCC1 1359098688 DULUCQHLKCNNBF-AQNXPRMDSA-N 467.636 2.363 30 10 JEEE C=CCCCCn1c(-c2cnn(C)c2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1359201440 OFKORHKUZYUUFC-JOCHJYFZSA-N 456.639 2.266 30 10 JEEE C=CCNC(=O)Cn1c(N2CCN(c3ccccc3F)C[C@@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 1359305716 LDJGPXYKHBTRIW-UQBPGWFLSA-N 486.592 2.475 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCCC[C@H](C)C1 1359331336 VVFIGNDDERXXFI-KRWDZBQOSA-N 480.660 2.465 30 10 JEEE C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)NCCN2CCN(c3ccc(F)cc3)CC2)cc1 1466172921 HVRAUNRCAQBLDT-KRWDZBQOSA-N 459.547 2.455 30 10 JEEE CCc1nnc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(CCOC)[C@@H](C)C2)s1 1498552005 HKMWLIQTRKRPGC-INIZCTEOSA-N 452.588 2.436 30 10 JEEE CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1Cc1nnc2n1CCCCC2 1503237085 GITPCFVSFPCTCF-QGZVFWFLSA-N 482.614 2.442 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2Cc2ccc(OC)nc2)c1 1507549646 JYYCTLFCFVLYJG-UHFFFAOYSA-N 454.494 2.243 30 10 JEEE C#CCCCCn1c(Cc2cccnc2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1507565603 CZZHOCHGTLBGDI-XMMPIXPASA-N 465.646 2.299 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1cccc(N(C)C)c1)[C@@H]1CCS(=O)(=O)C1 1507631551 FIWGGHPIMWCLJO-RTWAWAEBSA-N 457.600 2.261 30 10 JEEE C#CCN(c1nnc(C2CCC2)n1Cc1ccc(OC)c(OC)c1OC)[C@H]1CCS(=O)(=O)C1 1507632453 LNUHPAHJWSBPKE-SFHVURJKSA-N 474.583 2.246 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C)cc2C)n1 1507717504 VLJRWTKUVXJNLF-JOCHJYFZSA-N 496.637 2.328 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCC(=O)NC(C)C)CC1 1507742465 INEBSWKSMNZCGT-UHFFFAOYSA-N 471.005 2.403 30 10 JEEE C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(F)c1 1507784007 FZZIFRMKYRMSGO-MRXNPFEDSA-N 488.383 2.295 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H](C(=O)OC)C1 1507798969 UUIOLXBNDFONLO-BJLQDIEVSA-N 474.583 2.329 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1507808214 XWEZXQYUYFEXBG-QRFRQXIXSA-N 480.660 2.133 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2OC)CC1 1507844363 IQLSIKOLSWKGDD-IBGZPJMESA-N 475.615 2.108 30 10 JEEE C=CCCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1507926853 VGLXFZBULFWTGM-FUHWJXTLSA-N 456.522 2.061 30 10 JEEE C=CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC(NS(C)(=O)=O)CC1 1507938686 BJAKTWHZCXJXEN-UHFFFAOYSA-N 495.675 2.031 30 10 JEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)N1CCc2ccccc2C1 1507984455 XEQMUKJWEANXNR-OAQYLSRUSA-N 488.658 2.070 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCN(C)C(=O)C1 1508143964 QFKYIQGZTRQVAV-UHFFFAOYSA-N 475.615 2.168 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1508144083 NMOMEUWGMYXRET-SFHVURJKSA-N 484.619 2.012 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@H]1CCOC1 1508148795 KHHNSGPJZQDMPI-MSOLQXFVSA-N 483.635 2.424 30 10 JEEE CCN(CC)C(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(C)n(C)c2=O)CC1 1515490811 CUHRWLTWSPIPMB-UHFFFAOYSA-N 488.596 2.456 30 10 JEEE CO[C@@H]1COCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1518645330 GFXGXJUDVYMNJQ-JXKFMYIUSA-N 498.628 2.326 30 10 JEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN([C@H](C)c2nccs2)CC1 1539053209 NAXKBUVKPMEMIA-DLBZAZTESA-N 465.649 2.032 30 10 JEEE C#CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1539097144 DLUXOGZESJRAAF-NRFANRHFSA-N 453.543 2.203 30 10 JEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1539132603 OGKVHCJGKPXMFO-RBUKOAKNSA-N 456.616 2.230 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H](OC)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1539216499 SYBSZGKIABPCTJ-NHCUHLMSSA-N 451.552 2.355 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H](OC)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1539231184 SPTLAFTYNHSRRW-TZIWHRDSSA-N 485.610 2.417 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(Br)s2)n1C[C@]1(O)CCO[C@@H]1C 1539400065 ZDWFBWSBSVFAEY-FZKQIMNGSA-N 455.378 2.395 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(Br)s2)n1C[C@]1(O)CCO[C@H]1C 1539400066 ZDWFBWSBSVFAEY-SCLBCKFNSA-N 455.378 2.395 30 10 JEEE C#CCN1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC2(C(N)=O)CCCC2)CC1 1539446365 BULHXLZCFDOSNV-UHFFFAOYSA-N 499.660 2.194 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2cccc(C(C)(C)O)c2)CC1 1539459524 IEAGTDQIZDTUNF-UHFFFAOYSA-N 478.622 2.301 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](c2ccco2)N2CCCCC2)CC1 1539467806 ZPQWBXVEYWJIQB-OAQYLSRUSA-N 495.628 2.202 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(OC2CCCC2)CC1 1539517350 MJQZBPAIJJPQGK-QGZVFWFLSA-N 452.646 2.475 30 10 JEEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 1540871918 XFJBUGVJJCPNIH-UHFFFAOYSA-N 464.530 2.225 30 10 JEEE C=CCNC(=O)Cn1c(N2CCO[C@H](c3cccc(F)c3)C2)nnc1[C@]1(OC(C)C)CCOC1 1540876503 TWRLHWOFFWYZGK-RDPSFJRHSA-N 473.549 2.338 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1540901207 WMKVDIKCZVFUHB-SJORKVTESA-N 478.619 2.234 30 10 JEEE CC(C)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCN2CCCO)[C@H](C)C1=O 1541557622 IFXQPYITTUBXKF-OFNKIYASSA-N 479.629 2.357 30 10 JEEE COc1cc(Cl)ccc1-c1nnc(N2CC[C@](F)(C#N)C2)n1CC1(C(N)=O)CCOCC1 1554767358 ANIVZHLGOBBRKW-NRFANRHFSA-N 462.913 2.331 30 10 JEEE COc1cc(NC(=O)N2CCN(S(=O)(=O)N(C)C3CCCCC3)CC2)c(F)cc1C#N 1563098843 FPJNEHYZCMRELG-UHFFFAOYSA-N 453.540 2.365 30 10 JEEE C[C@H](CC(=O)N(C)CCCN(C)C(=O)OC(C)(C)C)/N=C1/NS(=O)(=O)c2ccccc21 1570373591 DDMMHXZHQZGDIB-OAHLLOKOSA-N 452.577 2.219 30 10 JEEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N(C)C1CCN(CCn2cccn2)CC1 1587803954 QNNINNSTDRCPKC-UHFFFAOYSA-N 461.574 2.136 30 10 JEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C[C@H]1CN(CC)c2ccccc2O1 1587807279 AFIVQCSBGGSRFM-MSOLQXFVSA-N 460.604 2.025 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1Cc1nccs1)[C@@H]1CCS(=O)(=O)C1 1588069140 HYCVIVKTIFPIOB-QGZVFWFLSA-N 457.581 2.297 30 10 JEEE C=C(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1593625237 NNBUTEYLBQXNJP-UHFFFAOYSA-N 471.587 2.468 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCN(C)c2ccccc2)CC1 1594240854 BBRFKIWYQIINLY-NRFANRHFSA-N 474.631 2.150 30 10 JEEE C=CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1594608703 VGLDWKDXZHNWDN-SFHVURJKSA-N 499.641 2.314 30 10 JEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1594813163 PQJKFBQBTDBGGF-CQSZACIVSA-N 474.509 2.008 30 10 JEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 1595562434 YXAFGEQDVTZXIB-IBGZPJMESA-N 472.537 2.466 30 10 JEEE C=CCOc1ccc(Cn2c([C@H]3CCOC3)nnc2N(C)C2CCN(S(C)(=O)=O)CC2)cc1 1595614517 WEGAFIOUTZMGQE-IBGZPJMESA-N 475.615 2.255 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C(F)(F)F)C1 1595649206 MYRGMPPMAWLGLU-PBHICJAKSA-N 489.520 2.269 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cccc(C(F)F)c2)C1 1595730045 SKYREBQPNMVZCD-RBUKOAKNSA-N 497.568 2.378 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[C@@H](OC)C1 1595789164 OGESMJKIZGWNRP-HXUWFJFHSA-N 456.572 2.347 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N(C)Cc1nc(O)c2ccccc2n1 1595799081 XBOVTXGWURKYSU-INIZCTEOSA-N 472.571 2.058 30 10 JEEE CNC(=O)[C@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN(C)CC(F)(F)F)C1 1618595443 GOXUTWCHPVXIAF-OAQYLSRUSA-N 479.507 2.185 30 10 JEEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2([S@](C)=O)CCC2)C[C@@H]1C 1619938932 HTHFRCINHQKHPF-UPTQXZAWSA-N 456.616 2.275 30 10 JEEE C=CCCC[C@H](NC(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1)C(=O)OC 1634884388 IIMWVVXJIIOJBD-AWEZNQCLSA-N 454.453 2.374 30 10 JEEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2cc(F)cc(CNC(=O)C(F)(F)F)c2)cc1 1634978580 GIITYCDJIDJYSI-UHFFFAOYSA-N 457.405 2.168 30 10 JEEE C#Cc1cccc(NC(=O)NC(=O)CN2CCn3c(Cc4cccc(F)c4F)nnc3C2)c1 1644013104 CQNMJALBADERRD-UHFFFAOYSA-N 450.449 2.292 30 10 JEEE C#C[C@H](NC(=O)N1CCN(S(=O)(=O)N(CC)CC)CC1)c1ccc(Br)cc1 1683512240 IIYNDNILLOWHCQ-KRWDZBQOSA-N 457.394 2.037 30 10 JEEE C=CCS(=O)(=O)CCNC(=O)N1CCC([C@@H]2C[C@@H](NC(=O)OC(C)(C)C)CCO2)CC1 1685844302 OHDVPORRUNOQLO-ROUUACIJSA-N 459.609 2.081 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CC2(COC)CCOCC2)c1 1689870105 BQQGBPPSABGZKA-UHFFFAOYSA-N 477.569 2.178 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3csc(C)n3)n2CC(=O)NCC2CC2)c1 1689871903 IPUGYNZQSDKZHZ-UHFFFAOYSA-N 477.594 2.216 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@H](c1cccc(OC)c1)N(C)C)[C@H]1CCS(=O)(=O)C1 1689985769 AYTOHQWRMFWNEE-NZQKXSOJSA-N 496.637 2.222 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H]1CCCO[C@@H]1C(C)C)[C@H]1CCS(=O)(=O)C1 1689986084 IKRUVCCSBJWSKV-IRFCIJBXSA-N 457.600 2.418 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1CCCNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1689993621 INHHNJSUCRVXGW-GOSISDBHSA-N 493.655 2.472 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CCC1CCC(OC)CC1)[C@H]1CCS(=O)(=O)C1 1689994005 PCSZWDAGGPJQEZ-IRQNMHNUSA-N 471.627 2.486 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1689998105 BLRRKQWOAFIDSW-QRVBRYPASA-N 493.630 2.156 30 10 JEEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1690182985 IXLUOCGXWWEDFH-KKSFZXQISA-N 461.613 2.020 30 10 JEEE C=C(C)COCCn1c(-c2cccc(OC)c2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1690302886 NEZFPRNBCVWZAR-UHFFFAOYSA-N 468.602 2.291 30 10 JEEE C=CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H](C)CN1CCOCC1 1690523608 HNDPTZZMSRMCGR-GOSISDBHSA-N 451.575 2.265 30 10 JEEE CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1695442443 BFISEJQIXGSGOO-MRXNPFEDSA-N 479.507 2.328 30 10 JEEE CCNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](CNC(C)=O)C1 1695912147 DBQGNZVBBFTNHK-LJQANCHMSA-N 451.575 2.332 30 10 JEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(n2cc(Cl)cn2)CC1 1705510742 XPDIWKRXAMGIPV-OAHLLOKOSA-N 454.000 2.383 30 10 JEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CC[C@@H](C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1705558728 GSNJWAAYEOGFGO-TZIWHRDSSA-N 469.611 2.335 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1CCOc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1705564563 PENTUXWULRINQN-LJQANCHMSA-N 451.552 2.354 30 10 JEEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@@H](C)c1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1705568332 LGYXDZASEJXSTJ-TZIWHRDSSA-N 469.611 2.139 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1c(CC)nn(C)c1OC 1705591774 XLEDTEUYIKUTSH-UHFFFAOYSA-N 480.594 2.164 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CCCS(=O)(=O)Cc1ccccc1 1705595991 NWSBKIXLNGGJGG-UHFFFAOYSA-N 493.589 2.474 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(Br)cc3)n2C[C@]2(C)COCCO2)CC1 1705642373 RMUJVWUGBOKBKA-JOCHJYFZSA-N 490.402 2.180 30 10 JEEE C=C(Br)Cn1c(-c2ccccc2F)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1705683346 DZBPASHFNBFDNM-ZDUSSCGKSA-N 458.357 2.463 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CNC(=O)CCC)C1 1705699892 MWMASOCLKAYZOB-HIUFNZKISA-N 493.674 2.294 30 10 JEEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(N2CCCCC2=O)CC1 1705800026 MLRVZJDPLGHAPN-KRWDZBQOSA-N 452.625 2.226 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCS(=O)(=O)C1 1705861610 KGEWWVNBTUFLFD-PMACEKPBSA-N 478.640 2.198 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O)C(C)C 1705869403 UEIQBYRYAREKAU-VQTJNVASSA-N 485.633 2.001 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2c(c1)OC(C)(C)O2 1705875607 ADXCZXWDKCRBOI-HXUWFJFHSA-N 489.598 2.345 30 10 JEEE C=CCn1c(N2C[C@@H](C(=O)OC)[C@H](CNC(=O)OC(C)(C)C)C2)nnc1[C@]1(OC(C)C)CCOC1 1705893281 AOPSKORMQIKZNC-GGUMNFRJSA-N 493.605 2.255 30 10 JEEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@](C)(O)c2cc(C)oc2C)C1 1710345181 BVAXKBKDOFWSCM-YKSBVNFPSA-N 498.609 2.452 30 10 JEEE CNC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC[S@@](=O)C(C)(C)C)C1 1711347699 FCNPDWKOFPYTGN-PIJWYQRNSA-N 472.615 2.238 30 10 JEEE COCC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCC[C@H](O)C2)CC1 1712108041 AIQNSDCJIOMCAL-NQIIRXRSSA-N 452.559 2.099 30 10 JEEE C#CCCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCN(CCOC)C(=O)C1 1722315200 WVLKWOSPANNXJX-UHFFFAOYSA-N 491.596 2.334 30 10 JEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2c(F)cccc2OC)CC1 1722333522 WWLSMERXZUXCED-KRWDZBQOSA-N 461.563 2.068 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 1722368148 ZCDAUINPUBNYES-MZKRTTBSSA-N 462.616 2.302 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2CCCN(CC(C)C)C2)CC1 1722434417 QZPFMZUGZGDMTH-JOCHJYFZSA-N 498.697 2.472 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@H]2CCSC2)CC1 1722436766 FGHJIONPKFJWLG-RBUKOAKNSA-N 476.647 2.095 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2C[C@@H]2CN(CC(C)C)CCO2)CC1 1722448092 RKJIMMLFPBTRAH-QFIPXVFZSA-N 456.635 2.258 30 10 JEEE C=C(C)COCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1722527424 IVRLYRBZJYGGGP-UHFFFAOYSA-N 492.584 2.327 30 10 JEEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@]2(CCc3ccccc32)C1 1722622251 KLGTXZSQLSLBCI-FDDCHVKYSA-N 475.615 2.159 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1722701732 BKMMPSJEQHPUNW-CTNGQTDRSA-N 455.559 2.160 30 10 JEEE CC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](N2CCOCC2)C(F)(F)F)C1 1722813959 HQZSWJAJMJQWED-UXHICEINSA-N 491.518 2.185 30 10 JEEE CCC[C@H](C)C(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](C#N)C1 1727930218 GBNFOLJBLYFJNM-FXAWDEMLSA-N 451.531 2.010 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1740541511 ATXACQDEYSOEED-QZTJIDSGSA-N 475.615 2.480 30 10 JEEE C#CCN(C)c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1C[C@@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1740598628 YBVDPHAXNZHJQW-NEWSRXKRSA-N 474.606 2.290 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1740616939 JFCDHBZWKUALSO-ZRNYENFQSA-N 465.664 2.306 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@@H]1CCO[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1740618784 CDNRKHUYUWQDDE-GGPKGHCWSA-N 458.584 2.396 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1Cc1nccc(C(F)F)n1)[C@H]1CCS(=O)(=O)C1 1740622349 XRYQZRMQGWZKEF-HNNXBMFYSA-N 488.520 2.356 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CCC(=O)N1CCOCC1 1740635763 QUIHMRSZTBMEAS-UHFFFAOYSA-N 465.554 2.063 30 10 JEEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCSCC1 1740671555 JWFISJNQBLSIDX-GOSISDBHSA-N 464.636 2.095 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(COc4ccccc4)o3)n2CC(=O)NCCC)CC1 1740691463 DYGXEGJWWQGBLQ-UHFFFAOYSA-N 462.554 2.399 30 10 JEEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@H](OC)C(C)(C)C1 1740716422 YDXYIJMHZINCDS-SFHVURJKSA-N 452.584 2.420 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cnn(-c2ccccc2)c1 1740774528 UQYADAMWSRSSAB-QFIPXVFZSA-N 499.641 2.442 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl 1740811183 NHKRTTQKJSFLIR-HEHGZKQESA-N 484.837 2.384 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC(C)(C)O 1740923706 SGSWQVUGMJIZIN-QGZVFWFLSA-N 469.633 2.026 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(C)OCCc2sccc21 1740932245 KCZKMZLVDYKQEJ-XMSQKQJNSA-N 493.655 2.339 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(C)CCCO1 1740934740 PITHFMNWMKNGNC-URXFXBBRSA-N 489.642 2.415 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@H](NC(=O)CC)C1 1740964916 XLUFYLIHEHCEND-IBGZPJMESA-N 454.575 2.271 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1740987237 CVZYYKNDZKRLSO-SFHVURJKSA-N 476.599 2.329 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)ccc2C)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1740993528 DOMXTAZNLKTMLY-HYBUGGRVSA-N 490.626 2.459 30 10 JEEE CC(C)CCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNC(=O)OC(C)(C)C 1741517360 AZMCDMYAYVZJEE-KRWDZBQOSA-N 468.624 2.471 30 10 JEEE C[C@H]1C[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(NS(C)(=O)=O)CC2)CCO1 1742962089 GUYLGAWQVNCARR-PKOBYXMFSA-N 488.614 2.062 30 10 JEEE CC[C@@H](C)[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1743479622 IFZZLUITLCQEJM-CLOONOSVSA-N 467.618 2.260 30 10 JEEE CCOc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(C)n(C)c1=O 1746888828 HEZOJWBJHJKAMS-LJQANCHMSA-N 464.526 2.040 30 10 JEEE C#CCN(c1nnc(COc2ccccc2OCC)n1C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1748824359 OQFUYFRIWXIAOO-MOPGFXCFSA-N 474.583 2.062 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@H](C)N1CCOCC1 1748961255 ZEXCJIVADZJFEK-IBGZPJMESA-N 450.543 2.407 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCOc2ccccc2Cl)CC1 1748977985 HAXQLMVOUHKUCP-QHCPKHFHSA-N 459.978 2.418 30 10 JEEE C#CCSCCn1c(N2CCN(Cc3cscn3)CC2)nnc1[C@]1(OCC)CCOC1 1749050309 YJXKLJHNJLZQQK-NRFANRHFSA-N 462.645 2.075 30 10 JEEE N#Cc1cccc(-c2nnc(N3CCC(CNC(=O)C(F)(F)F)CC3)n2CC(=O)NCC(F)F)c1 1750380942 CSSVJMGBEZFQIT-UHFFFAOYSA-N 499.444 2.093 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCS(C)(=O)=O)C1 1750497596 AXNUOYKYNPGAPE-GOSISDBHSA-N 474.587 2.355 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCN1CCOC(C)(C)C1 1751094122 DRDSZYURIQAPTD-IBGZPJMESA-N 467.622 2.301 30 10 JEEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC(F)(F)F)C[C@@]2(CCCOC2)O1 1752318278 HIXVXDOXJHIZDQ-YCRPNKLZSA-N 478.475 2.270 30 10 JEEE C#CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1760144172 GTKDPWCKKLFBTO-UHFFFAOYSA-N 479.585 2.135 30 10 JEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCNC(=O)OC(C)(C)C 1760170396 ASYCNVKIBPBFEO-UHFFFAOYSA-N 461.592 2.222 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1Cc1ccc(OC(C)C)nc1)[C@H]1CCS(=O)(=O)C1 1760185394 WOZBSLRUVUQDMR-IBGZPJMESA-N 468.583 2.141 30 10 JEEE C#CCN(c1nnc(CCCOc2ccc(Cl)cc2C)n1CC1(O)CC1)[C@@H]1CCS(=O)(=O)C1 1760191073 AEUKDRFHJFAGNZ-LJQANCHMSA-N 493.029 2.403 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1CC1(NC(=O)OC(C)(C)C)COC1 1760205361 ZIIURTGOGBRQLH-UHFFFAOYSA-N 456.572 2.000 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC1=CCc2ccc(OC)cc21 1760205984 ONNZMHYXBPHQTK-FQEVSTJZSA-N 450.564 2.291 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCCCO2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1760248787 QKTJCGBLQNEIGO-RTBURBONSA-N 454.579 2.106 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC2CCN(CC(F)(F)F)CC2)CC1 1760263507 DLEOECANOQECCI-PMACEKPBSA-N 484.567 2.032 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2(CC)CCOCC2)CC1 1760270972 GXMYALRNNHUDLI-UHFFFAOYSA-N 467.618 2.312 30 10 JEEE C#CCSCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN2C(=O)OC[C@H]2C1 1760280069 HOHNRRZSUXYHGA-ZWKOTPCHSA-N 490.630 2.400 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(F)cc2)n1C[C@H]1CC(=O)N(CCOC)C1 1760297755 HIPXRLMWZPGILF-MHECFPHRSA-N 455.534 2.483 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C1CCC2(CC1)OCCO2 1760307428 RFCTYNDVWCRNRY-CQSZACIVSA-N 475.409 2.211 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)NC)CC1 1760326339 WDVOMKRXARMOMX-DENIHFKCSA-N 465.558 2.171 30 10 JEEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1760350370 FSPVXHZQYQSYRY-MRXNPFEDSA-N 492.378 2.101 30 10 JEEE C=CCn1c([C@H]2CCCO2)nnc1N1C[C@H](NC(=O)OC(C)(C)C)C2(CCS(=O)(=O)CC2)C1 1760513879 IGRAHERKQLTAMO-SJORKVTESA-N 481.619 2.224 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CC(=O)N(C)[C@H](C)C1 1760550966 OWLXIMWQOYSUDD-JKSUJKDBSA-N 477.656 2.399 30 10 JEEE CO[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1)C(C)C 1768131625 GCKIGGILHKGMDW-FGZHOGPDSA-N 482.585 2.227 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1772659913 UQTAHJCHYVCXHQ-OAHLLOKOSA-N 499.424 2.409 30 10 JEEE COc1ccc(N2CCCC2=O)cc1S(=O)(=O)N1CCN(C(=O)Nc2cccc(C#N)c2)CC1 1858626035 UZZZGUVIRRMDKJ-UHFFFAOYSA-N 483.550 2.232 30 10 JEEE Cn1c([C@H](C#N)C(=O)CN2CCN(c3nnc(Cc4cccs4)c(O)n3)CC2)nc2ccccc21 1859428237 QJUIAKRGRWIRLM-QGZVFWFLSA-N 488.577 2.115 30 10 JEEE C=C(C)Cn1nc(C)c(CCC(=O)NCCNC(=O)[C@@H]2CC(=O)N(c3cccc(OC)c3)C2)c1C 1860322722 CDJVBVSLKHJIDV-HXUWFJFHSA-N 481.597 2.303 30 10 JEEE CCOc1cc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2CCNC(C)=O)ccc1O 1862745501 KIAQLHBDYUFXRH-HXUWFJFHSA-N 469.450 2.414 30 10 JEEE Cc1nc(CNC(=O)OC(C)(C)C)sc1C(=O)N[C@@H](CO)C(=O)Nc1cccc(C#N)c1 1867083488 NNRJMIWKXDRRNW-HNNXBMFYSA-N 459.528 2.077 30 10 JEEE C=CCN(CC=C)c1nc(=NCCc2ccc(S(N)(=O)=O)cc2)nc(Nc2ccc(O)cc2)[nH]1 1871721042 WBLJPKPTJMNUCK-UHFFFAOYSA-N 481.582 2.223 30 10 JEEE COc1cc(N2CCN(C(=O)[C@@H]3SCC(=O)N(C(C)C)[C@H]3c3ccc(C#N)cc3)CC2)ncn1 1889660878 XVAJEADMKJOLPE-XZOQPEGZSA-N 480.594 2.099 30 10 JEEE COc1cc(N2CCN(C(=O)[C@@H]3SCC(=O)N(C(C)C)[C@@H]3c3ccc(C#N)cc3)CC2=O)ccn1 1891391574 LMWCWJDGWPGQDU-DNQXCXABSA-N 493.589 2.231 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2180982316 FLHVOTFTCXIISM-KRWDZBQOSA-N 482.408 2.252 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]1CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2247880729 KMHHRRWKQGKGBG-QWHCGFSZSA-N 458.411 2.239 30 10 JEEE CC(C)(C)OC(=O)NCC=CCNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2247951726 KBRFCZYSYBKDNI-UHFFFAOYSA-N 458.411 2.407 30 10 JEEE CC[C@@H](CNC(=O)OC(C)(C)C)NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2255795286 UNNFMQZJFVIORR-ZDUSSCGKSA-N 475.442 2.165 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCN(C[C@@H](C)O)C(=O)OC(C)(C)C 2267126432 ATVNQRQNFLJTQS-CYBMUJFWSA-N 469.413 2.098 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1COC[C@H]1NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2267151635 ZGRMDVIAOQTURK-CABCVRRESA-N 467.759 2.056 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CC[C@H]1NS(=O)(=O)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2267470396 JWEZJRAXRXYLPX-ZWKOTPCHSA-N 466.409 2.461 30 10 JEEE CC(C)(C)OC(=O)NCC=CCNS(=O)(=O)Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2267470577 MSSOSLJQNIRKTF-UHFFFAOYSA-N 466.409 2.486 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2268647643 PWAVBTQYMDPOLP-XDQVBPFNSA-N 464.397 2.137 30 10 JEEE COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1NC(=O)[C@@H](CNC(=O)OC(C)(C)C)OC 2268669449 CWEQWPTXBHNXCL-QGZVFWFLSA-N 450.341 2.473 30 10 JEEE C[C@@H]1C[C@@H](CNC(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2281970218 DSLTZTAOLGAUQZ-CVEARBPZSA-N 462.400 2.342 30 10 JEEE Cn1cc(C(=O)N[C@@H]2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)c(B2OC(C)(C)C(C)(C)O2)n1 2281980078 IDRDKTMEUMLGFX-YQQAZPJKSA-N 460.384 2.095 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCOC[C@H]1OCc1ccccc1 2282014245 OTZKAGUPMMROPM-VQTJNVASSA-N 455.364 2.306 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@]2(CNC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2282016105 TUCWSNNLNYGMCQ-RCDICMHDSA-N 479.408 2.198 30 10 JEEE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1N(C)C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2282051117 GCRLNQVFWUSWRI-DOTOQJQBSA-N 462.400 2.437 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](NC(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CCO1 2282175216 VRSWNPHEXVUZNI-QZTJIDSGSA-N 461.368 2.183 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@@H]1CNC(=O)c1cccc(F)c1B1OC(C)(C)C(C)(C)O1 2282405868 CCJZQQSSZXVVNP-HNNXBMFYSA-N 464.343 2.491 30 10 JEEE Cc1c(C(=O)N2C[C@H]3C[C@H]2CN(C(=O)OC(C)(C)C)C3)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282557937 BZGFAUMAKFVARQ-HOTGVXAUSA-N 460.384 2.109 30 10 JEEE Cc1c(C(=O)N(C)[C@H](C)C2CN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282594066 ZKQYDAOOHHVAQN-CQSZACIVSA-N 462.400 2.355 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2[C@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)n1 2282596464 BPYYSJWKTVJYFN-ZMSDIMECSA-N 460.384 2.187 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(C(=O)N2C[C@@H](NC(=O)OC(C)(C)C)C[C@@H](O)C2)c1 2282681111 UYKXNMLNKNTKNV-RBUKOAKNSA-N 460.380 2.394 30 10 JEEE CC1(C)OB(c2cc(C(=O)N3C[C@H]4C[C@H]3CN4Cc3ccccc3)c(O)cc2O)OC1(C)C 2282987782 IWGWTDLJRBIASC-MSOLQXFVSA-N 450.344 2.496 30 10 JEEE C[C@H]1OCCN(C(=O)OC(C)(C)C)[C@@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2283956241 JKFSOQNCXZZZQE-CJNGLKHVSA-N 465.331 2.483 30 10 JEEE CN(Cc1ccccc1B1OC(C)(C)C(C)(C)O1)C(=O)CN1CC(NC(=O)OC(C)(C)C)C1 2283986281 PUINVDYKJKLYEO-UHFFFAOYSA-N 459.396 2.153 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@](O)(CC(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2284017208 FBLSYODJVDVLFP-JOCHJYFZSA-N 465.331 2.220 30 10 JEEE CC(C)(C)OC(=O)NCc1cn(CCNC(=O)c2csc(B3OC(C)(C)C(C)(C)O3)c2)nn1 2287194376 UEXLLKMJXJGHIY-UHFFFAOYSA-N 477.396 2.094 30 10 JEEE CN(C(=O)c1sncc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1F 2320556578 XDWLHJRTBLLRFL-UONOGXRCSA-N 455.361 2.472 30 10 JEEE Cc1nnc(SCC(=O)NCc2ccco2)n1N=Cc1cc2c(cc1[N+](=O)[O-])OCCO2 2321134666 NDMJJOCRRSMDHM-UHFFFAOYSA-N 458.456 2.150 30 10 JEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CCNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2362346568 TZFGGTCHSPHNIM-JKSUJKDBSA-N 462.400 2.342 30 10 JEEE COc1ccc(C(=O)/C=C2\N=c3ccc(C(=O)NCc4ccc(F)cc4)cc3=NC2=O)cc1OC 211041591 ZNNDYEQFLYISID-BKUYFWCQSA-N 473.460 2.319 30 10 JEEE Cc1nn(C)c(C)c1NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1 726315893 PNTWGAIJAWTXMB-XIEYBQDHSA-N 460.560 2.207 30 10 JEEE COC(=O)c1ccccc1NC(=O)CSc1n[nH]c(NN=Cc2cc(OC)ccc2O)n1 1083865896 IQHFZUBAODYMFU-UHFFFAOYSA-N 456.484 2.482 30 10 JEEE CC(=NNc1nc(SCC(=O)Nc2ccc3c(c2)C(=O)NC3=O)n[nH]1)c1ccc(F)cc1 1084471220 XWGZQNLRQDTAHQ-UHFFFAOYSA-N 453.459 2.394 30 10 JEEE C=CCc1cc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)Cc2ccccc2F)cc(OC)c1OC 1136460636 JDWYIVDSTWCBJM-CTNGQTDRSA-N 456.514 2.392 30 10 JEEE C#C[C@H]1COCCN1C(=O)c1cc(O)nc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc12 1142007981 KRDFFHVMLYXIJE-INIZCTEOSA-N 455.467 2.355 30 10 JEEE COc1cc(N2C[C@H](C(=O)Nc3ncc4c(c3C#N)COCC4)CC2=O)cc(OC)c1OC 1276480525 BEUFDZHQHMRXLA-CQSZACIVSA-N 452.467 2.043 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CCn1cc(C)cn1)[C@H]1CCS(=O)(=O)C1 1286388498 QGXJHBDYGTYRJZ-NRFANRHFSA-N 452.584 2.339 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(NC(=O)NC(C)C)cc1 1286431611 QAKKWNGOFCOVAP-FQEVSTJZSA-N 482.610 2.221 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CC(C)(C)N1CCc2ccccc2C1 1286465283 LEXFQJSJEXAHCP-OAQYLSRUSA-N 450.587 2.152 30 10 JEEE C=CCn1c(COc2ccc(OC)cc2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1286777265 PGVXGQWDLGLCHK-HSZRJFAPSA-N 470.618 2.283 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1286783789 LPJHQFOXZODPDE-VWLOTQADSA-N 495.584 2.140 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N(C)C[C@H](c1cccs1)N1CCOCC1 1286785183 GXMSMWGQAAHGMS-GOSISDBHSA-N 455.588 2.147 30 10 JEEE C[C@@]1(C#N)CCCN(c2nnc(CNC(=O)c3cccs3)n2CCN2CCSCC2)C1 1288981611 GCMRTDOKBXZMHJ-NRFANRHFSA-N 459.645 2.448 30 10 JEEE C#CCNC(=O)C1CCN(C(=O)CCSCc2nc(O)c3c4c(sc3n2)CCC4)CC1 1296946752 KOUVULUPHIXDQA-UHFFFAOYSA-N 458.609 2.497 30 10 JEEE CN(C)CCN1CCC(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)Cc2cnn(C)c2)CC1 1298078987 DAGXDQWIIAIKSP-UHFFFAOYSA-N 461.618 2.460 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1CC1CN(C(=O)OC(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1300483995 NOHWIRHIIRQJHQ-SJLPKXTDSA-N 465.620 2.285 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@H](C)Oc1ccccc1OC)[C@@H]1CCS(=O)(=O)C1 1300499055 OXDDRLGVSYMNIK-PZJWPPBQSA-N 495.605 2.367 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2csc(C)n2)n1CC(=O)N1CCOCC1 1300649383 LTPYHNJCMCGNNX-UHFFFAOYSA-N 468.558 2.272 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccc3)n2C[C@@H]2CCCS(=O)(=O)C2)n1 1300680469 CMHUHMKJPKQEFV-FQEVSTJZSA-N 482.610 2.253 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCc2cccc(OCC)c2)CC1 1300686142 XGUMCVOJWMMPMX-VWLOTQADSA-N 453.587 2.327 30 10 JEEE C=C(Br)Cn1c(N2CCN(C(=O)[C@@H]3CCCO3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1300862711 CNAQIUKVUZWXEN-UWJYYQICSA-N 498.422 2.055 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@@H]1C[C@@H](OCC)C12CCC2 1301478441 KTAJGIYRSFNCCU-IAGOWNOFSA-N 453.547 2.012 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC(=O)N(C)[C@H](C)C1 1301577356 NGRJGHSCZPCGHR-QGZVFWFLSA-N 491.614 2.009 30 10 JEEE N#CC1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC(=O)NCC2CC2)CC1 1302999635 BTVOBTSGNLMDBI-UHFFFAOYSA-N 455.950 2.128 30 10 JEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cccnc1OCCOC 1358949954 SUUUFPIXKLKSIW-IBGZPJMESA-N 486.573 2.124 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H](C)N(C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1358960780 LSGOVALFLHQTKX-CTNGQTDRSA-N 466.611 2.435 30 10 JEEE C#CCN(c1nnc(COc2ccccc2CC)n1C[C@@H]1CCN(CC)C1)[C@H]1CCS(=O)(=O)C1 1358967824 TUNWXONMFRWKDM-IRLDBZIGSA-N 485.654 2.388 30 10 JEEE C#CCN(CC#C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCN1CCN(C(C)=O)CC1 1358969692 URIBGOZETASDST-IBGZPJMESA-N 468.989 2.308 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(Br)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1358972472 GAEVDHVOUCJPPC-GOSISDBHSA-N 476.400 2.204 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(N2CCOC2=O)cc1 1358983931 BHACTUHPSIHJFJ-UHFFFAOYSA-N 469.505 2.393 30 10 JEEE C#CCN(CCOC)c1nnc(Cc2ccccc2F)n1C[C@H](N1CCOCC1)C(F)(F)F 1359025103 CYYLQKTZIOCLEP-IBGZPJMESA-N 469.483 2.357 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(C3CCCC3)n2C[C@H]2NC(=O)CC2(C)C)n1 1359028382 QBJAOCVBQBOHCB-HXUWFJFHSA-N 453.591 2.333 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2Cc2ccc(OCCN(C)C)cc2)CC1 1359043591 AGSKBPRYNYYMOY-UHFFFAOYSA-N 475.597 2.228 30 10 JEEE C#CCSCCn1c(N2CCN(c3ccc(C(N)=O)cc3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1359061803 MQQADUAOJLOXKM-RUZDIDTESA-N 498.653 2.111 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Br)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1359064858 BMSYUZVDGAIJRJ-WOJBJXKFSA-N 479.400 2.249 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2c(c1)CCCN2C 1359113992 VKMPQNRPTBPQJU-JOCHJYFZSA-N 488.658 2.444 30 10 JEEE C=CCOc1ccc(Cn2c(Cc3csc(C)n3)nnc2N2CCS(=O)(=O)CC2)cc1 1359308559 RNFFPGXEZHNQKI-UHFFFAOYSA-N 459.597 2.482 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc3cccnc23)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1359329551 MPJOSPAQXZFSOJ-IBGZPJMESA-N 482.610 2.399 30 10 JEEE C=CCN1CC[C@@H](N(C)C(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)C1=O 1467531490 GYFMWZKBXVYUFM-LJQANCHMSA-N 458.496 2.255 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OC)c(Br)c1 1507514972 FTYHFIHVOLQQKJ-OLZOCXBDSA-N 470.393 2.166 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cn4ccccc4n3)n2CCC(=O)N(C)C)c1 1507552294 NRVCYJLECGWREX-UHFFFAOYSA-N 484.564 2.051 30 10 JEEE C#CCCCn1c(COc2ccc(Br)cc2)nnc1N1CCS(=O)(=O)CC1 1507596033 ZSIWNOHBVSGCSI-UHFFFAOYSA-N 453.362 2.268 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCOc1ccccc1)[C@H]1CCS(=O)(=O)C1 1507634549 YXSMMSGKJXNJLC-UXHICEINSA-N 458.584 2.268 30 10 JEEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1C[C@]1(O)CCSC1)[C@@H]1CCS(=O)(=O)C1 1507639608 LHDUUHQUYWGSTQ-DYESRHJHSA-N 497.042 2.005 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCC(=O)N(C)C 1507711307 SZRZFOWWBLVFKJ-IBGZPJMESA-N 476.622 2.347 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1c(C)cccc1C 1507772714 MUMFDIPCMPNHTH-GBXCKJPGSA-N 487.626 2.299 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1507824544 CGPFBZZWGGZHTF-SFHVURJKSA-N 452.602 2.328 30 10 JEEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1507835845 NUOHAPCWRVYUSB-UHFFFAOYSA-N 482.589 2.246 30 10 JEEE C=C(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@H](C)C1)c1ccccc1 1507851177 HIXUDHXIQWLHQP-MJGOQNOKSA-N 463.629 2.266 30 10 JEEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 1507936907 KYFZIFMTMWXBQE-UXHICEINSA-N 459.639 2.199 30 10 JEEE C=CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1507943042 WAZJDYSOFYYWFH-HSZRJFAPSA-N 454.579 2.311 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1508070582 AJPWZTJISFNTJG-FQEVSTJZSA-N 493.612 2.192 30 10 JEEE C=CCOc1ccccc1Cn1c(C)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1508107068 YDXQBSIVZFYHDC-HSZRJFAPSA-N 454.619 2.431 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1508131979 STETYYJSJVWISZ-UHFFFAOYSA-N 498.609 2.034 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(c2cccc(OC)c2)CC1 1508142494 TURQBADQZISKDS-OAQYLSRUSA-N 475.615 2.456 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cn2ccc3ccccc32)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1508144871 YQKZXBLEVUHIJA-FQEVSTJZSA-N 484.626 2.187 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1508145279 ZBZHPCMDYXIJLO-GOSISDBHSA-N 474.612 2.208 30 10 JEEE CC(C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1509711265 AUEXVCDDMOFLJO-OAQYLSRUSA-N 465.602 2.280 30 10 JEEE C[C@]1(C#N)CCCN(c2nnc(-c3cnccn3)n2CCOc2ccc(S(C)(=O)=O)cc2)C1 1510283740 DCFDVMPFRPDXRD-JOCHJYFZSA-N 467.555 2.348 30 10 JEEE CCc1nc(C)c(Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CCO[C@@H](C#N)C2)o1 1513719616 GBFVBBSFESCVLZ-KRWDZBQOSA-N 469.933 2.497 30 10 JEEE CO[C@H](Cn1c(-c2cccn2C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1)C(C)C 1517822491 GTKLJIHUHLHVBQ-HXUWFJFHSA-N 451.579 2.195 30 10 JEEE COc1cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCN2CCCCC2=O)cc(OC)c1OC 1517976146 DJULERMIMGMFBS-SFHVURJKSA-N 484.557 2.102 30 10 JEEE C#CCN(c1nnc(-c2ccccc2F)n1Cc1c(CC)nn(C)c1OC)[C@H]1CCS(=O)(=O)C1 1539212805 YAKRGAGMANWDIS-INIZCTEOSA-N 486.573 2.064 30 10 JEEE C#CCN(c1nnc(COc2ccc(Br)cc2)n1CC=C)[C@H]1CCS(=O)(=O)C1 1539231301 UVJTYKHHRZGIJI-INIZCTEOSA-N 465.373 2.432 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H](C)N1CCN(CC)CC1 1539263868 QDZOLENLQBQZFO-XZOQPEGZSA-N 497.688 2.491 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CC(F)(F)Br)CC1 1539489790 XTBWZFOOMNMUOC-UHFFFAOYSA-N 484.349 2.093 30 10 JEEE C#CCSCCn1c(CCOc2ccccc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1539524741 NPJHMDKHXGYCLO-QFIPXVFZSA-N 460.625 2.281 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N(C)CCS(C)(=O)=O 1539621763 BUHAHHGJTHLOGP-JXFKEZNVSA-N 464.588 2.424 30 10 JEEE C=C(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1539704656 GIBZAVKORUCYCC-TZIWHRDSSA-N 482.633 2.396 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC(=O)NC(C)C 1540147266 OJYPQRAQXJYQEF-MRXNPFEDSA-N 451.618 2.349 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](CC)C1 1540871641 QBZYOAPIZHECMS-KZNAEPCWSA-N 462.595 2.214 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC(N(C)C(C)=O)CC1 1540874875 UTZZVZIXIOHSAC-UHFFFAOYSA-N 454.575 2.223 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN(Cc2cccs2)CC1 1540900905 MNOBEBLJVXPUJG-UHFFFAOYSA-N 460.629 2.268 30 10 JEEE CCN(CCn1c(C(=O)NC(C)C)nnc1N1CCN(c2cccc(F)c2C#N)CC1)C(C)C 1547577306 DEPKPUJDCDBTNJ-UHFFFAOYSA-N 470.597 2.484 30 10 JEEE CCn1cc(C(=O)N2CCN(c3ccc(C#N)c(C(F)(F)F)c3)C[C@@H]2C(=O)NC2CC2)cn1 1548369624 XDBWDXYZSNGMOX-LJQANCHMSA-N 460.460 2.403 30 10 JEEE COc1ccc(CCn2c([C@@H]3CCC(=O)N3)nnc2N2CCC(C#N)CC2)c(OC)c1OC 1554907381 AMYYNTKITDIHJX-KRWDZBQOSA-N 454.531 2.238 30 10 JEEE CC(C)Oc1ccc([C@H](CNC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)N(C)C)cc1 1569887370 HLKGUZFFKBVRQP-JTSKRJEESA-N 458.584 2.431 30 10 JEEE C#CCCCCn1c(N2CCC[C@H](N3CCCS3(=O)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1587792840 BQNWQNILMDTWDV-REWPJTCUSA-N 479.647 2.127 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1ccc(F)c(C)c1)[C@@H]1CCS(=O)(=O)C1 1588065452 YTIKMOLYLUKQTJ-HXUWFJFHSA-N 453.543 2.386 30 10 JEEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1589088629 CHBGXPUDCVLBRL-QFIPXVFZSA-N 460.625 2.259 30 10 JEEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)NCc2ccc(C)cc2)CC1 1589708873 XYROVSSYLDYRHS-GOSISDBHSA-N 474.631 2.306 30 10 JEEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](C(N)=O)C1 1593884138 CSIIANGWEPONCA-CABCVRRESA-N 454.959 2.041 30 10 JEEE C=CCNC(=O)Cn1c(Cn2ccc3ccccc32)nnc1N1CCC(C(=O)NCCC)CC1 1595569127 AGSLRKDIUJVKIZ-UHFFFAOYSA-N 463.586 2.326 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1CCC[C@H](N2CCCC2=O)C1 1595594212 MDGPZZSCPUJWMG-SFHVURJKSA-N 484.626 2.472 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1595648549 FGAVMCCIYBWKFB-CMKODMSKSA-N 474.631 2.174 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCC[C@@H]2NC(=O)NC2=O)C1 1595699090 BMGGZEOAVHKHEB-WBVHZDCISA-N 474.949 2.377 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCCN(c2ccccc2)CC1 1595788538 CBDMFFDROKNXAL-UHFFFAOYSA-N 453.572 2.053 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 1595788540 CBMDAJNVALHWLB-LJQANCHMSA-N 499.593 2.320 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2ccc(F)cc2)CC1 1595821018 AHUXTRQUUOXGQJ-UHFFFAOYSA-N 487.605 2.206 30 10 JEEE CC(=O)N1CC[C@H](CN(C)c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCOC2)C1 1596005531 FKECBHIZDHFWSH-RTWAWAEBSA-N 452.559 2.460 30 10 JEEE CC(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C2CC2)N(C)C)CC1 1596513846 GSZFQBBTSJNKES-QFIPXVFZSA-N 451.575 2.174 30 10 JEEE CC(C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1597825605 HRXZUBXGMQBVIF-UHFFFAOYSA-N 465.602 2.159 30 10 JEEE CCOC(=O)[C@H]1S/C(=N/C(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)N(C)[C@@H]1C 1613976236 KQGGMYQLSKHFGJ-GEBZCHDISA-N 467.613 2.277 30 10 JEEE CC#CCS(=O)(=O)c1cccc(C(=O)NCc2cccc(C(=O)NC[C@@H]3CCCO3)c2)c1 1626870017 PZQKMODKRQHDAL-NRFANRHFSA-N 454.548 2.322 30 10 JEEE C#CC[C@H](CO)NC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Oc1ccccc1 1657715727 RRBYTZDXHFZXRX-QGZVFWFLSA-N 459.524 2.006 30 10 JEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCCc2nc(C(=O)OCC)cs2)cc1 1658320216 HPMSVDHJCMMGQZ-UHFFFAOYSA-N 452.558 2.491 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1689851264 OCDDDQYSIFXXDM-QZTJIDSGSA-N 494.662 2.132 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccc(C)n3)n2CCS(=O)(=O)CC)c1 1689870410 MYAKEWWMMWIPBU-UHFFFAOYSA-N 466.567 2.139 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCCO3)n2C[C@@]2(C)CN(C)C2=O)c1 1689872434 YMZLLZKSCSRYHN-YADARESESA-N 450.543 2.054 30 10 JEEE C#CCCCn1c(Cc2ccccc2OC)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1689933283 HUFNZMMOZRIONN-OAQYLSRUSA-N 450.587 2.034 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@H]1CCCN(C(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1689985972 GJEHJVLPCUFIOZ-VQTJNVASSA-N 458.632 2.031 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CCCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1689991589 ADERTRKIDWNKNY-GOSISDBHSA-N 477.581 2.260 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1CC(C)(C)SC)[C@@H]1CCS(=O)(=O)C1 1689993906 NGKVGEUPKDYLGD-MRXNPFEDSA-N 453.659 2.402 30 10 JEEE C#CCN(CC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H](N1CCOCC1)C(F)(F)F 1690068006 TWGCBKZLSGACSL-IBGZPJMESA-N 465.476 2.439 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2CC[C@H](N2CCOCC2)C(F)(F)F)CC1 1690114847 JCRQYVOTPJAENY-NRFANRHFSA-N 492.546 2.362 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc4c(s3)CC[C@H](C)C4)n2CCOCCCO)CC1 1690139689 XOLWHNRZGLPASK-SFHVURJKSA-N 485.654 2.496 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2CCN(C)CC(F)(F)F)CC1 1690148788 VDWABMXBMIOVMC-UHFFFAOYSA-N 480.510 2.468 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(C)c(OC)c2)CC1 1690154610 UNPWOCFTWLIMDH-GMAHTHKFSA-N 481.597 2.333 30 10 JEEE C#CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CCN(C(=O)OC)CC1 1690157518 IWXCWOBIOGUXOL-UHFFFAOYSA-N 467.393 2.301 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1csc(C(C)C)n1 1690206001 DVAJUVXGHPFVNN-PGRDOPGGSA-N 492.671 2.426 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C)N(Cc2ccccc2)CC1 1690288174 LFALDDSCCOEUBM-UNMCSNQZSA-N 488.658 2.288 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1690664440 SRYYSUHUGRZVAK-OAQYLSRUSA-N 465.602 2.392 30 10 JEEE C=CCOc1ccc(Cn2c(CNC(=O)c3cccs3)nnc2N2CC[C@H](C(N)=O)C2)cc1 1690681321 NAUPCFNWMUGPGQ-KRWDZBQOSA-N 466.567 2.194 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2nc(C3CC3)cs2)C1 1690686705 SCVXGIMHUPFDEP-UKRRQHHQSA-N 452.606 2.052 30 10 JEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1690744639 QWEGRFXYLMLFFV-HXUWFJFHSA-N 496.747 2.094 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1690992901 BKNNMSFSIMNOCT-FPOVZHCZSA-N 451.575 2.011 30 10 JEEE Cc1ccccc1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(C#N)C1 1693266881 FHIMTRYUZOQAOF-NFBKMPQASA-N 472.615 2.292 30 10 JEEE C#CCCCn1c(N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)nnc1[C@]1(OCC)CCOC1 1705539190 LQDZQCKPXVBBKN-VWLOTQADSA-N 484.576 2.243 30 10 JEEE C#CCN(c1nnc(-c2ccccc2)n1CCC(=O)N1CCCCCC1)[C@@H]1CCS(=O)(=O)C1 1705563758 DUODCDJBVQPZJL-OAQYLSRUSA-N 469.611 2.365 30 10 JEEE C#CCN(c1nnc(Cn2ccc3ccccc32)n1CCC(=O)N[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1705568023 FWMNFKZIZZVRJU-CTNGQTDRSA-N 496.637 2.213 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2CC[S@@](=O)C(C)(C)C)CC1 1705646577 INZILMFDFASSAA-MGBGTMOVSA-N 471.627 2.467 30 10 JEEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(N2CCNC2=O)CC1 1705814375 NBRNRUULIRLIFX-UHFFFAOYSA-N 458.588 2.309 30 10 JEEE C=CCN(CC=C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@]1(O)CCOC1 1705873314 DINYBJGQWAQKAZ-XMMPIXPASA-N 450.543 2.395 30 10 JEEE C=CCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1705888505 BRBCELYHFBJDDT-CQSZACIVSA-N 470.393 2.420 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCN([C@H](C)c2nc(CC)no2)CC1 1705896823 ZGFQSSKZSKQVKW-QGZVFWFLSA-N 480.573 2.085 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCCN(c2nccc(OCC)n2)CC1 1705898495 NPRTUHDZSNCIKZ-UHFFFAOYSA-N 497.991 2.201 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)CC2CCCCC2)CC1 1705903625 YYHDDMNUQACILK-HXUWFJFHSA-N 458.607 2.441 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC(=O)NCCC)C1 1705927935 JBEJDZFLYXBATI-FGTMMUONSA-N 462.595 2.356 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1705931479 QUTDMQJSWNFMEJ-UHFFFAOYSA-N 493.593 2.148 30 10 JEEE CC(=O)NCC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1706044197 HVXUDEMAONQTJM-QFIPXVFZSA-N 463.586 2.428 30 10 JEEE C[C@H](C#N)CN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1706069930 FKZANCQPWUEYLA-HZPDHXFCSA-N 474.495 2.401 30 10 JEEE C[C@H]1CN(C(C)(C)Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCN2CCOCC2)C[C@@H](C)O1 1708144840 GXYFURKBPDZBIC-OYRHEFFESA-N 481.645 2.473 30 10 JEEE CC[C@H](C)[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1708339167 BGSRFJFXMWJIJV-HFJWLAOPSA-N 488.596 2.434 30 10 JEEE CCOc1ccccc1OCc1nnc(N2CC[C@@](F)(C#N)C2)n1CCN1CCOC[C@@H]1C 1710564858 HPJXVBZIVFJFDW-FDDCHVKYSA-N 458.538 2.418 30 10 JEEE COC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCSC2(CCOCC2)C1)OC 1712160917 GSUSCIOUWLEVNM-FQEVSTJZSA-N 473.599 2.493 30 10 JEEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC[C@@H]2CCCCO2)CCN1S(C)(=O)=O 1712845761 CJNNWFQQLXWFDL-PXNSSMCTSA-N 458.588 2.246 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@](C)(OC)C2CC2)c1 1722306416 RRUVRZFRXJWVSS-VWLOTQADSA-N 464.570 2.385 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2CC2(O)CC(OCC)C2)c1 1722310658 YJTFYPVSNZFKAG-PEJQNEDZSA-N 467.570 2.158 30 10 JEEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 1722317098 BQEZZRUCEUWIEN-UHFFFAOYSA-N 481.576 2.104 30 10 JEEE C#CCN(c1nnc([C@@H](C)CC)n1CCOc1ccc2c(c1)OCO2)[C@@H]1CCS(=O)(=O)C1 1722363858 HQKNPTCSMFBLIZ-DLBZAZTESA-N 460.556 2.226 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1CCc1ccc(NC(C)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1722368705 VBKGYTVFBIFVJX-OAQYLSRUSA-N 457.600 2.304 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCn1ccc2ccccc21 1722389566 JQAHUIHXGFFIAD-LJQANCHMSA-N 452.584 2.396 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCc2ccccc21 1722413780 RKMUSMGNSRUGGL-PZJWPPBQSA-N 457.600 2.191 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2CC2(N3CCOCC3)CCCCC2)CC1 1722444820 ORWLBWFOVVBWOI-UHFFFAOYSA-N 456.635 2.402 30 10 JEEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 1722618860 WAECKBZVGZVOCB-JKSUJKDBSA-N 450.565 2.231 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCC(O)CC1 1722659910 HBOVHAKTBDUCSZ-FQEVSTJZSA-N 491.633 2.359 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(C)=O)C[C@H]1C)C(C)C 1722664483 AMQWMCTWBAIBKI-DENIHFKCSA-N 454.623 2.434 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(CC2CCOCC2)CC1 1722688562 GBNGZUVQOCDYRZ-IBGZPJMESA-N 486.592 2.408 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)C1 1722708921 GLEGZZWSSIWDJM-IRXDYDNUSA-N 450.584 2.453 30 10 JEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2nccs2)C1 1722738423 JEOIBRZJHQJHBP-LSDHHAIUSA-N 455.631 2.134 30 10 JEEE CCN(C)C(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1728262930 BDIYVDRDDALINW-UHFFFAOYSA-N 462.533 2.080 30 10 JEEE CN(C)S(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](C[C@@H]2CCOC2)C1 1729342226 DIJZNXCYNSIHLF-PMACEKPBSA-N 472.615 2.351 30 10 JEEE CO[C@@H](C)Cn1c(Cc2ccccc2F)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1729834799 CCQGAMCKZHBGGL-INIZCTEOSA-N 452.538 2.283 30 10 JEEE CSC1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)CCOCC1 1731060246 FHTDRLWLYYCNBX-GOSISDBHSA-N 461.613 2.352 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1cccc(Br)n1)[C@@H]1CCS(=O)(=O)C1 1740615487 FQDDITWMCDGQPA-OAHLLOKOSA-N 466.405 2.408 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1CCc1ccccc1OCC)[C@@H]1CCS(=O)(=O)C1 1740626200 KFOSCDHJXFRIBU-VQTJNVASSA-N 458.584 2.050 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCn2ccnc2C1 1740677284 HXPXZQDSMSUXMM-MJGOQNOKSA-N 485.589 2.126 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(OC)c(OC(F)F)c2)CC1 1740690178 OTNRQTSPJAPDGJ-UHFFFAOYSA-N 497.506 2.339 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2CCCNC(=O)C2CCC2)CC1 1740704296 NFFFXTZXEXCUCO-UHFFFAOYSA-N 478.597 2.226 30 10 JEEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)c1ccccc1C 1740717246 NCRMHVGFZXYSAY-AZUAARDMSA-N 477.656 2.483 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(Cn2nc(C)cc2C)n1CCCN1CCC[C@H]1C(=O)N(C)C 1740734076 QESUKKAQIJFXPB-SQJMNOBHSA-N 466.634 2.075 30 10 JEEE C=C1CCN(c2nnc(COc3cccc(C)c3)n2CCNS(=O)(=O)Cc2ccon2)CC1 1740827869 NFROTZBQCQRNNH-UHFFFAOYSA-N 472.571 2.430 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](Cc2ccc(F)cc2)C1 1740951068 BTJVZWTWQQEDQJ-SFHVURJKSA-N 463.517 2.436 30 10 JEEE CC(=O)N1CCN(c2nnc(-c3ccccc3Cl)n2CCN/C(O)=C2/N=CC=CC2=O)[C@@H](C)C1 1741046366 IOXMNWQNENEJGE-FOVZNYCQSA-N 483.960 2.182 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CCCc2nnc(C)s2)c1 1748692030 BMSMBBKZNGCOCN-SFHVURJKSA-N 478.582 2.078 30 10 JEEE C#CCN(c1nnc(C2CCCC2)n1CCCOC[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1748814259 BXBINDUNJANLDT-QUCCMNQESA-N 450.605 2.006 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@H](c1cccs1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1748819955 VKNSPYLUKBDUST-WOJBJXKFSA-N 484.651 2.255 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(Br)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1748913112 PQKXWKZZIHKQDM-HNNXBMFYSA-N 466.405 2.449 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2C[C@H]2CCCCO2)CC1 1749015882 QRDHTUNZKCYKPX-JOCHJYFZSA-N 451.571 2.435 30 10 JEEE C=C(Br)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN2C(=O)OC[C@H]2C1 1749083289 CTELGPOMESCJNG-OAHLLOKOSA-N 495.765 2.411 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCO[C@H](COC(C)C)C1 1749656029 XXSVXCTVKQUZSB-IBGZPJMESA-N 465.558 2.268 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC2(C(N)=O)CCOCC2)C1 1749695452 BYXOCDHMDMFVLH-SFHVURJKSA-N 471.558 2.026 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)c2ccccc2)CC1 1749731863 MNECGQHZVVROAT-FQEVSTJZSA-N 473.599 2.083 30 10 JEEE COCCN(Cc1ccco1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1749816281 HOFSEBOPQMXVQR-LJQANCHMSA-N 484.582 2.344 30 10 JEEE COCCN(CCC#N)c1nnc(-c2cc(Br)c[nH]2)n1CCN1CCSCC1 1749824244 CBTQJNMHQBTZHR-UHFFFAOYSA-N 468.425 2.451 30 10 JEEE C[C@H]1OCC[C@@]12CN(c1nnc(-c3ccc(C#N)cc3)n1CCS(=O)(=O)C(C)(C)C)CCO2 1752445570 GYIALFLNTMVCCN-UZUQRXQVSA-N 473.599 2.414 30 10 JEEE CC[C@H](C)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1)OC 1752572224 AOIDOOCJACRYHF-AZUAARDMSA-N 466.590 2.168 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1CCN(CCN(C)C)CC1 1760103002 WNIQUJZLMTUULN-LJQANCHMSA-N 472.659 2.080 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCSC2)c1 1760127198 TVWBAOXARAPMDI-GOSISDBHSA-N 452.584 2.323 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H](OC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1760183374 BCATUPWLQIORDF-DYESRHJHSA-N 476.599 2.260 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@H](C)N(C)C1CC1)[C@H]1CCS(=O)(=O)C1 1760188568 BXFGXBPNNSKIKM-PXNSSMCTSA-N 459.591 2.117 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@@](C)(O)c1ccco1)[C@H]1CCS(=O)(=O)C1 1760192059 QARJEEHERQJOEH-GBXCKJPGSA-N 468.579 2.191 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H](C(C)C)N1CCOCC1 1760202297 ZFISAUHFPKXSME-QHCPKHFHSA-N 487.608 2.105 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCN2CCC[C@@H](C)C2)CC1 1760258025 FGNUIBFFLAOHET-HXUWFJFHSA-N 452.603 2.449 30 10 JEEE C#CCSCCn1c(COc2ccc(Cl)cc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1760286026 YYRKQFMGZGRUDU-UHFFFAOYSA-N 489.001 2.398 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1760338206 ZPPNWERXPXTDMT-IRXDYDNUSA-N 479.569 2.236 30 10 JEEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CCC(N2CCCNC2=O)CC1 1760360368 ZTLCIKSSOBMMCU-UHFFFAOYSA-N 487.630 2.246 30 10 JEEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1760433165 ANQQDPTXTVNCMX-PMACEKPBSA-N 472.615 2.409 30 10 JEEE C=CCCCn1c(-c2noc3c2COCC3)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1760437923 SRMVNEAUVWEQJD-SJORKVTESA-N 458.563 2.340 30 10 JEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(c2cnn(CC)c2)CC1 1760440860 RXWPUHOOBYCHCI-FQEVSTJZSA-N 477.635 2.178 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1760517109 COCWWSQYQFPWAR-GJZGRUSLSA-N 480.294 2.263 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1760526025 AOMHEPAFBVLWNB-JOCHJYFZSA-N 468.602 2.077 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 1760558059 DYDUSJUFQLZTJY-HXUWFJFHSA-N 479.647 2.205 30 10 JEEE CN(CCc1cnccn1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCS(=O)(=O)C1 1767287553 GONFFGYJUMTRBJ-SFHVURJKSA-N 451.556 2.110 30 10 JEEE COc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)c(C(F)(F)F)c1 1770199289 CDDBWRJPMDEKRN-KPZWWZAWSA-N 490.483 2.406 30 10 JEEE CC(C)[C@H](NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1)C(=O)N1CCN(c2ncccn2)CC1 1868782570 KIMCQOBBAPIQFD-UNMCSNQZSA-N 495.653 2.304 30 10 JEEE COCCCN1C(=O)c2ccc(C(=O)Nc3c(C#N)nnn3Cc3ccccc3F)cc2C1=O 1870107047 PWSXIUZBFSCPMH-UHFFFAOYSA-N 462.441 2.222 30 10 JEEE CCN(CC)CCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CSc1nnnn1C 1870233216 YWHAFBSCMMCNEQ-UHFFFAOYSA-N 453.572 2.457 30 10 JEEE Cc1nc(SCc2cc(=O)c(OCCO)cn2CCN2C(=O)CSC2=O)c(C#N)c(C)c1C 1870240442 SFVJEPPRCWDTQX-UHFFFAOYSA-N 488.591 2.399 30 10 JEEE CCN(CCO)Cc1cc(=O)c(OCc2ccc(C#N)cc2)cn1CCCN1CCCC1=O 1870347775 SQBWEBXPUUDEHB-UHFFFAOYSA-N 452.555 2.126 30 10 JEEE C=CCN=c1nc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)[nH]c(=Nc2ccc3nc[nH]c3c2)[nH]1 1871625945 MHDJVKTXJAXHAZ-UHFFFAOYSA-N 472.513 2.168 30 10 JEEE C=CCn1c(C(=O)N2CCN(C)CC2)cc2c(NC[C@H](c3ccc(O)cc3)N(C)C)ncnc21 1875231168 CDWFYFYQZXORIQ-JOCHJYFZSA-N 463.586 2.425 30 10 JEEE O=C(NCC#CCN1CCc2ccccc2C1)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 1891430269 BRFLTTWEWBPZLK-DEOSSOPVSA-N 451.592 2.408 30 10 JEEE COc1ccc(OC)c(-c2ccc(=O)n(CC(=O)N3CCC(N(C)c4cc(C#N)ccn4)CC3)n2)c1 1891478200 JZTZOXBYDCWYAT-UHFFFAOYSA-N 488.548 2.322 30 10 JEEE C#CCOC1CCN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc(NC(=O)OC)cc2)CC1 1892159430 MTQHYQACHOERJO-FQEVSTJZSA-N 463.556 2.049 30 10 JEEE CN(C(=O)[C@H](CCC(N)=O)NC(=O)OC(C)(C)C)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2206157922 NXGBIOGKDYHRST-KRWDZBQOSA-N 461.368 2.107 30 10 JEEE C=CCC1(C(=O)NCCn2cnc(I)c2)CN(C(=O)OC(C)(C)C)C1 2221429118 UXVOKAXNRKUXGB-UHFFFAOYSA-N 460.316 2.417 30 10 JEEE CN(CCCNC(=O)OC(C)(C)C)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2255803845 VGZIIMIFZQWMMP-UHFFFAOYSA-N 475.442 2.119 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CNC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)CC(F)(F)F 2267092245 MYGORZNFJLEDLB-LLVKDONJSA-N 462.278 2.284 30 10 JEEE Cc1nc(C(=O)NCC2CCN(C(=O)C(F)(F)F)CC2)c(B2OC(C)(C)C(C)(C)O2)s1 2267167418 GARQKVFBPVVWAZ-UHFFFAOYSA-N 461.315 2.281 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2ccsc2B2OC(C)(C)C(C)(C)O2)CC[C@@H]1CO 2267167455 GOCYAZNSRDRKTE-GDBMZVCRSA-N 466.409 2.395 30 10 JEEE CCc1nn(C)c(C(=O)N[C@@H](C)[C@H](C)NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267191528 DQYZKLXJKUGWPD-KBPBESRZSA-N 450.389 2.313 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@H](CNC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C1 2267545365 IGUGFEYEUZNWPD-CQSZACIVSA-N 467.397 2.056 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)C2CC(B3OC(C)(C)C(C)(C)O3)C2)[C@H](S(C)(=O)=O)C1 2267579144 OGFAEHUSWGDGJH-QDIHITRGSA-N 472.413 2.008 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)c1F 2268642651 GBTPFAUMUFMITG-BBRMVZONSA-N 450.316 2.434 30 10 JEEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)[C@H]1C[C@H](O)CN1C(=O)OC(C)(C)C 2268649079 AKFCXSUCWVYVMQ-GOEBONIOSA-N 466.409 2.376 30 10 JEEE COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1NC(=O)[C@H](CO)CNC(=O)OC(C)(C)C 2268716731 PJIWLAMEWUXTFX-AWEZNQCLSA-N 450.341 2.066 30 10 JEEE COc1cc(C(=O)NCCOCCNC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2281984352 DOYVZGDXOXRWAD-UHFFFAOYSA-N 464.368 2.266 30 10 JEEE Cc1nn(C)c(C(=O)N2CCN(C(=O)OC(C)(C)C)CC23CC3)c1B1OC(C)(C)C(C)(C)O1 2281986817 UAKLPLSOUOZHIL-UHFFFAOYSA-N 460.384 2.253 30 10 JEEE CC1(C)OB(c2scnc2C(=O)N2C[C@@H](CNC(=O)C(F)(F)F)C3(CCC3)C2)OC1(C)C 2282019043 GGQNWFPNCAGUIK-GFCCVEGCSA-N 473.326 2.363 30 10 JEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1CCNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282043239 MGHKOFKCNBJJTM-HOTGVXAUSA-N 462.400 2.342 30 10 JEEE Cc1cccc(C(=O)NCC2(CO)CN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2282114599 FUIMHHFBGPJOQG-UHFFFAOYSA-N 460.380 2.253 30 10 JEEE CN(CCOCCNS(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2282343239 PBYMSBJVFLDOHM-UHFFFAOYSA-N 484.424 2.148 30 10 JEEE C[C@H]1C[C@@H](NS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CN(C(=O)OC(C)(C)C)C1 2282348120 HPZNBUMTPMOPPN-DOTOQJQBSA-N 481.424 2.305 30 10 JEEE Cc1nc(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)s1 2282519085 ITJKKRSTRFKIIY-KQTLUZQSSA-N 479.408 2.161 30 10 JEEE Cc1c(C(=O)N2C[C@@H]3C[C@H]3[C@@H]2CNC(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282543856 CVJPFXOIZCTJOI-XHSDSOJGSA-N 460.384 2.013 30 10 JEEE Cc1c(C(=O)N2C[C@@H](NC(=O)OC(C)(C)C)C[C@@H](C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282554605 GNQDHFIRDITSLF-ZBFHGGJFSA-N 462.400 2.403 30 10 JEEE Cn1nc(C(=O)NC[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2282629437 VUVHAZVCBXCSTC-GFCCVEGCSA-N 476.305 2.295 30 10 JEEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCCCC[C@@H]1NC(=O)OC(C)(C)C 2282701758 ZBYCAGNLKJJMJH-CABCVRRESA-N 463.388 2.070 30 10 JEEE CC(C)(C)OC(=O)N1CCC12CN(C(=O)c1cc(B3OC(C)(C)C(C)(C)O3)c(O)cc1O)C2 2282973183 ZEHBLLSGIZBNBU-UHFFFAOYSA-N 460.336 2.232 30 10 JEEE COc1ccc(C(O)=C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(OC)cc2)cc1 2297739672 LFXCSCLVTRYACO-QFIPXVFZSA-N 452.507 2.458 30 10 JEEE COCCCN1C(=O)C(=O)C(=C(O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@@H]1c1ccccc1 2297743239 FEWPBISSCVKAHX-FQEVSTJZSA-N 458.536 2.395 30 10 JEEE COc1nc(OC[C@@]2(NC(=O)OC(C)(C)C)CCOC2)ccc1B1OC(C)(C)C(C)(C)O1 2339830724 AKJFPMDNXGQQIT-JOCHJYFZSA-N 450.341 2.452 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCCC[C@H](CNC(=O)OC(C)(C)C)C1 2362354322 SJVGIQQSMJDNLO-MRXNPFEDSA-N 462.400 2.486 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2C)n1C 2362487916 RBJCZHFWXWKHDG-HOCLYGCPSA-N 462.400 2.403 30 10 JEEE COc1ccc(/C=c2\s/c(=C(/C#N)c3nnc4n3CCCCC4)n(-c3ccccc3)c2=O)cc1O 12633074 LUYOWZQMLZWPOU-SKGUDZDDSA-N 485.569 2.482 30 10 JEEE Cc1cc(C)c(C)c(S(=O)(=O)/N=C2\C=C3N(CCO)CCO[C@@]3(O)c3ccccc32)c1C 13149261 NCQREQTZXWVHTB-UZSVZKDMSA-N 456.564 2.465 30 10 JEEE C=CCc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc(OC)c1OC 18227497 OMAPNLSVBZIJBK-UHFFFAOYSA-N 475.523 2.487 30 10 JEEE CCOc1ccc(/C=N/Nc2nc3c(c(=O)[nH]c(=O)n3C)n2C[C@H](O)COc2ccc(C)cc2)cc1 33574878 QVVQUVGNEKZMFY-NPSPNJCMSA-N 492.536 2.016 30 10 JEEE C=CCN1C(=O)N[C@@H](c2ccccc2C(F)(F)F)C2=C1CN(CCC(=O)N1CCOCC1)C2=O 35972019 ZQWKGUVKNZURDS-FQEVSTJZSA-N 478.471 2.303 30 10 JEEE CCOC(=O)c1c(C)oc(NC(=O)[C@H](CC)n2c(N)nnc2SCC#N)c1C(=O)OCC 40173526 HUWMFLXOROMVBF-NSHDSACASA-N 464.504 2.321 30 10 JEEE COc1ccc(OC)c([C@@H]2/C(=C(/O)c3ccc(C)o3)C(=O)C(=O)N2CCN2CCOCC2)c1 102501328 HHDORSPJXPBZFC-SADKCHQCSA-N 456.495 2.359 30 10 JEEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(-c3ccc4c(c3)OCO4)sc2C(=O)OCC)C1=O 508798383 ZUYXKSZMXSGLGV-UHFFFAOYSA-N 485.474 2.236 30 10 JEEE O=C1ONN(c2ccccc2)/C1=C\C(=NC(=O)c1ccccc1)C(=O)N1CCN(c2ccccn2)CC1 585673331 AVNYNNBRMMYESM-WJCUDSCGSA-N 496.527 2.379 30 10 JEEE COc1cc(NC(=O)CSc2nnc(NN=Cc3ccccc3[N+](=O)[O-])n2N)cc(OC)c1 1084522512 JSYRSQDTJKWGMD-UHFFFAOYSA-N 472.487 2.094 30 10 JEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCCN([C@H](C)c3ccc(F)cc3)C2=O)cc1 1159323847 DRMKXWXVXQPKCZ-IERDGZPVSA-N 457.527 2.219 30 10 JEEE N#Cc1ccncc1N1CCN(CC(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)CC1 1170700021 GVKILYJEGYWZMV-UHFFFAOYSA-N 456.432 2.313 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCOC[C@H]1CCCO1 1286286545 ZAZQBHLNFCOLRK-ZWKOTPCHSA-N 460.604 2.282 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CCNC(=O)c1cccc(C)c1 1286303873 SZVPSVKBOSZMIL-QGZVFWFLSA-N 450.568 2.466 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1Cc1cccn(CC)c1=O 1286401010 MPOVGPDAQCLOIR-UHFFFAOYSA-N 453.344 2.349 30 10 JEEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1C[C@@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1286453329 ZFJUEXHAPQQJTM-LUYSREMJSA-N 489.617 2.486 30 10 JEEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1ccsc1Br 1286468585 BSQINYJYTUNVOZ-UHFFFAOYSA-N 452.378 2.359 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@]2(OC)CCOC2)CC1 1286475228 ZTMAVESMTLUGNW-OAQYLSRUSA-N 478.366 2.407 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCc2noc(CC)n2)CC1 1286489570 XXRRKDBKMPSTLL-UHFFFAOYSA-N 493.568 2.116 30 10 JEEE C=C(C)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1286592636 ODSBXLOUCNQDDF-FXAWDEMLSA-N 461.588 2.475 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 1286611425 KCFZQPWZTMAHLA-QUCCMNQESA-N 467.636 2.206 30 10 JEEE C=CC[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1)c1ccccc1 1286678889 GLRYGGJOINJSNC-TZIWHRDSSA-N 486.642 2.449 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCOC[C@H]1OC 1286766384 QJRQBRCLECZKLQ-NLWGTHIKSA-N 464.588 2.060 30 10 JEEE C=CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC(C(N)=O)CC1 1286822342 CYYPSWDYQILBHB-UHFFFAOYSA-N 463.007 2.482 30 10 JEEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CC[S@@](=O)C(C)(C)C 1288724943 GJSGQZJSMXUNAA-MHTXLSKPSA-N 451.618 2.233 30 10 JEEE CCCC(=O)N[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCOC[C@@H]2C)C1 1293758669 ARIWRDITBDVODD-UNMCSNQZSA-N 495.628 2.335 30 10 JEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)NC2CCCCC2)CC1 1300339552 OSLCEFYBGWOFDV-SFHVURJKSA-N 478.663 2.357 30 10 JEEE C#CCCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1300394651 UXJBDNDRRCPZLW-GOSISDBHSA-N 478.557 2.298 30 10 JEEE C#CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(C(=O)COC)CC1 1300408853 OCJWHUMSNFUZED-LJQANCHMSA-N 474.606 2.101 30 10 JEEE C#CCN(c1nnc([C@H]2COc3ccccc3O2)n1CCOCCC(C)C)[C@@H]1CCS(=O)(=O)C1 1300496496 RVDHAQMBDZNJHQ-DENIHFKCSA-N 488.610 2.480 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1Cc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1300501356 KDBSZVMSUYWSRD-IBGZPJMESA-N 459.572 2.448 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1CCN1CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1300502257 ROPWUTSDOUZZHV-IRLDBZIGSA-N 455.628 2.174 30 10 JEEE C#CCN(c1nnc(COc2ccccc2OCC)n1C[C@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1300504949 WLVKEVVAIWGSEA-WOJBJXKFSA-N 488.610 2.452 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@](C)(O)CCC)[C@H]1CCS(=O)(=O)C1 1300505318 ZMGHGTDPYQBRKH-RTXPOLOASA-N 466.648 2.375 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C 1300651020 YYXWPNCSQFABDZ-SFHVURJKSA-N 462.595 2.103 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccn2C)n1C[C@@H]1C[C@@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1300663953 JRDLDYCTAPRDQK-DYXWJJEUSA-N 484.601 2.394 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2CC[C@@H](C(F)F)N2CCOCC2)CC1 1300701498 VVZDFUDQOQKIJT-NRFANRHFSA-N 476.547 2.119 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H]2COCCO2)C1 1301543007 HCYRICXMGOVVPW-CVEARBPZSA-N 452.353 2.243 30 10 JEEE N#Cc1ccc(OCc2nnc(N3CC[C@H](N4CCCCC4)C3)n2CC(=O)NCC(F)(F)F)cc1 1302993745 GGDZVXIFXMUSNJ-SFHVURJKSA-N 491.518 2.472 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N[C@@H]2CCc3ncc(Br)n3C2)C1 1312468059 BCLAUJJVYWUROJ-YNEHKIRRSA-N 453.341 2.019 30 10 JEEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(Cc2cscn2)CC1 1313491410 FYCYWABSZQFFQQ-UHFFFAOYSA-N 450.572 2.122 30 10 JEEE CCNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(F)cn2)CC1 1313998575 CTKZFFFBJLBCKN-UHFFFAOYSA-N 464.505 2.163 30 10 JEEE CN(C)[C@@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](C#N)C1)c1cccs1 1314647734 DATHXBINCRMVSY-MJGOQNOKSA-N 486.623 2.442 30 10 JEEE COCCN(C)S(=O)(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC(F)(F)F)C1 1316071999 FWBKZAJJMWOTCG-KRWDZBQOSA-N 486.520 2.256 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCN1CCCCC1=O 1358891439 GPKYLYMJUSNOTL-RTBURBONSA-N 474.606 2.447 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCOc1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 1358963565 KFEZRENQMLGIAZ-WOJBJXKFSA-N 458.584 2.186 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1CC12CC(NC(=O)OC(C)(C)C)(C1)C2 1358984195 LYAMSUZLKCBHSZ-UHFFFAOYSA-N 454.575 2.327 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2OCC)n1CC1(O)CCS(=O)(=O)CC1 1359073894 IUHJHHYTDYBJQM-HSZRJFAPSA-N 488.610 2.188 30 10 JEEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](c2ccnn2C)C1 1359084434 HLRUFQQDFCWRFF-GJZGRUSLSA-N 469.409 2.206 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1359092888 HILKIMSFZUOIHY-JBACZVJFSA-N 475.615 2.453 30 10 JEEE C=CC[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](C)(C(N)=O)C1)c1ccccc1 1359195603 PBPDUQTWPQMPIM-DNVFCKCGSA-N 457.600 2.242 30 10 JEEE C=CCCOCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1359224024 DFXWVMLNIGGSMB-YKSBVNFPSA-N 477.613 2.398 30 10 JEEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(=O)N1CCOCC1 1359276107 RZLWPANIVFAIPG-UHFFFAOYSA-N 499.593 2.036 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCN(c2cnccn2)CC1 1359294850 HCQYUGLJBFEXMY-UHFFFAOYSA-N 497.401 2.435 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Br)c2)nnc1N1CCC[C@H](NC(C)=O)C1 1359327656 HKXWFSRVHBDAIF-SFHVURJKSA-N 496.431 2.413 30 10 JEEE CC(=O)N1CCN(CCn2c(N3CCCN(Cc4ccc(C#N)cc4)CC3)nnc2C(C)(C)C)CC1 1359402511 CMDXAJIBKPECQE-UHFFFAOYSA-N 492.672 2.324 30 10 JEEE CC(C)N1CCN(c2cccc(NC(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)c2)CC1 1447319379 GLKUFMGBUMQIRD-UHFFFAOYSA-N 455.584 2.284 30 10 JEEE C#CCn1ccc(CN(CCOC)CC(=O)NC2(c3ccc4c(c3)OCCO4)CCCC2)n1 1460053309 SKXCAXYSQXIHIA-UHFFFAOYSA-N 452.555 2.322 30 10 JEEE C#C[C@H](NC(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)C1CCOCC1 1477568501 RCIIAZCEBVEJLC-NRFANRHFSA-N 452.534 2.170 30 10 JEEE N#Cc1ccc(CN2CC[C@@H](NC(=O)N3CCC(CCCN4CCOCC4)CC3)C2=O)cc1 1478567383 HPMMGZOCZBTRDX-HSZRJFAPSA-N 453.587 2.193 30 10 JEEE C[C@H]1CN(C(C)(C)Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@H](S(C)(=O)=O)C2)C[C@@H](C)O1 1494093644 BYWSADRHPPXNTK-UEXGIBASSA-N 486.642 2.328 30 10 JEEE CC[C@H](C)[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1494868701 BLHMVFHZSQOEOE-HMHJJOSWSA-N 466.586 2.441 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OC)c(Br)c1 1507514969 FTYHFIHVOLQQKJ-CHWSQXEVSA-N 470.393 2.166 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1Cc1cnn(CC)c1)[C@H]1CCS(=O)(=O)C1 1507623926 ZEGURQKVYVYXPD-XLIONFOSSA-N 486.573 2.449 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@H](c1ccccc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1507633774 GZYJFPKCLCAEDG-DHIUTWEWSA-N 478.622 2.194 30 10 JEEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1CC1(S(C)(=O)=O)CCCC1 1507671285 HFDLNKXNLORYGO-UHFFFAOYSA-N 464.595 2.337 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(NC(C)=O)nc1 1507701172 YFGYTXSSXDHWKA-HXUWFJFHSA-N 461.501 2.410 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(-n2nc(C)cc2C)nc1 1507703516 XKSGMSKYGCFAAN-UHFFFAOYSA-N 485.552 2.257 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCOC1 1507711122 OFMBEGKIJGBSCW-RTBURBONSA-N 463.579 2.099 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@@]2(O)CCSC2)CC1 1507720416 KRNPRSAZDCPGDF-SFHVURJKSA-N 468.446 2.392 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2C[C@@]2(N(C)C)CCSC2)CC1 1507740567 VGBOVTJUZRNDCA-QHCPKHFHSA-N 472.684 2.334 30 10 JEEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)c1cccs1 1507752142 VUPANKKLQJHSRU-HZPDHXFCSA-N 469.658 2.236 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(COC)cc1 1507821165 VPFIIQBBKZHVMC-FQEVSTJZSA-N 463.604 2.208 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)N2CCCCC2)CC1 1507883926 BOHHNGOHNJLFOF-IBGZPJMESA-N 466.652 2.032 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@H](C)OC(C)(C)C1 1508140530 IUTYUMFTSZBQIJ-SFHVURJKSA-N 489.646 2.057 30 10 JEEE CCN1CCCC[C@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@H](C#N)C1 1515858642 ALFPARXOOPIEDH-VQTJNVASSA-N 471.993 2.465 30 10 JEEE COc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1CCC(=O)NC1CCCCC1 1518518313 GHKSCGWUHCHLOC-IBGZPJMESA-N 468.558 2.433 30 10 JEEE CS[C@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1519744214 HVZLDTOPEVEKIS-YLJYHZDGSA-N 490.655 2.199 30 10 JEEE C#CCCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1539053649 WZDPWJLSRJUKEV-SFHVURJKSA-N 482.560 2.288 30 10 JEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1539072908 YQJGBMWSGKOFOM-IRXDYDNUSA-N 451.593 2.087 30 10 JEEE C#CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1539109225 LJYWSHRSBDJELY-UHFFFAOYSA-N 466.586 2.120 30 10 JEEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@H](C)N1CCN(CC)CC1 1539154689 KCNLSNCKTRCMBH-GOSISDBHSA-N 456.591 2.066 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1Cc1ncccc1C)[C@@H]1CCS(=O)(=O)C1 1539211376 IFRHXDWARLNDQR-LJQANCHMSA-N 481.578 2.341 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1ccc(OC)cc1OC)[C@H]1CCS(=O)(=O)C1 1539220436 JIUKDAWYNPUHKP-ICSRJNTNSA-N 474.583 2.212 30 10 JEEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC(=O)NCc1ccco1 1539263479 JCQSAZRCSOSZTA-UHFFFAOYSA-N 480.569 2.375 30 10 JEEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1Cc1cc(F)ccc1N1CCOCC1 1539298749 AFPFAYKXJHYVAO-SANMLTNESA-N 481.572 2.417 30 10 JEEE C#CCSCCn1c(-c2cn(C)c3ccccc23)nnc1N(C)CC(=O)N1CCOCC1 1539512983 JVPKZSPCAKRZSR-UHFFFAOYSA-N 452.584 2.098 30 10 JEEE C=C(C)COCCn1c(COc2ccccc2OC)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1539758042 AWYWOZXEWMJRNU-MOPGFXCFSA-N 455.559 2.421 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)Oc2ccccc2)CC1 1539890766 SOTAVUDVCZJANF-RXVVDRJESA-N 475.615 2.481 30 10 JEEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N1CCN(c2ccccc2)CC1 1540072522 LWJKFXCCOBXDBW-UXHICEINSA-N 458.632 2.013 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1540869522 PCQSBBIWRNCHJA-RBUKOAKNSA-N 492.628 2.286 30 10 JEEE C=CCNC(=O)Cn1c(N(C)Cc2nc(C(F)(F)F)cs2)nnc1[C@@]1(OCC)CCOC1 1540875966 CXBUBANDECAKDD-GOSISDBHSA-N 474.509 2.344 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1540879779 OEVPZJNPEIZSTD-HOYKHHGWSA-N 455.559 2.414 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC([C@@H](O)c2ccc(F)cc2)CC1 1540901986 WZGALKIMSOEIEU-NRFANRHFSA-N 488.589 2.369 30 10 JEEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1CC1(C)CCOCC1 1541893750 AWFWDARMPBNCBW-QGZVFWFLSA-N 461.588 2.415 30 10 JEEE CN(C)C(=O)[C@H]1CN(S(C)(=O)=O)CC12CCN(c1ccc(C#N)c(C(F)(F)F)c1)CC2 1548376574 BBNACHJWRKENKV-QGZVFWFLSA-N 458.506 2.143 30 10 JEEE C[C@@H](C[C@@H](C)NC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21)NC(=O)OC(C)(C)C 1557179788 BUSWPBMUTVHCSR-QLFBSQMISA-N 452.577 2.312 30 10 JEEE CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCC(=O)N1CCN(c2ccc(C#N)cc2)CC1 1557721986 CAZCCTPDSKJSRJ-OAQYLSRUSA-N 457.575 2.262 30 10 JEEE N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)CNS(=O)(=O)c2cccc(F)c2)CC1 1568490099 DLEKGVUTKBXDLZ-LJQANCHMSA-N 450.923 2.166 30 10 JEEE C#Cc1ccc(CNC(=O)[C@H]2CC(=O)N(c3ccc(S(=O)(=O)N(CC)CC)cc3)C2)cc1 1583382149 KYITZBSQSKFZIV-FQEVSTJZSA-N 453.564 2.368 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(c2ccc(F)cc2)CCOCC1 1587561726 HLSWZKVWKHMDHD-DLBZAZTESA-N 463.579 2.234 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccc(OC)nc1OC 1587581282 ZGNTXDRLNLWNEH-HNNXBMFYSA-N 455.540 2.267 30 10 JEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)c2ccc(O)cc2)CC1 1587857303 YFBFKYGZJXALAG-LJQANCHMSA-N 456.568 2.399 30 10 JEEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(F)cc2C(F)(F)F)CC1 1588864754 JRIWBDACXAYLSS-UHFFFAOYSA-N 464.467 2.362 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCOCc2ccccc2)CC1 1588865621 YHNXRXRLRZSWIL-UHFFFAOYSA-N 464.595 2.242 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H]2N(C)CCCC2(C)C)CC1 1588890964 JTFCNNONHDMOHE-HFZDXXHNSA-N 486.661 2.016 30 10 JEEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](n2cncn2)C1 1589483504 OWPOXEZWGBCWHA-XHSDSOJGSA-N 452.357 2.344 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccc(F)cc2)nnc1N(C)CC(=O)N1CCOCC1 1589546167 PRZBDAVLVJKFEU-CVDCTZTESA-N 457.550 2.284 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCO[C@@H]1C(C)C 1589664301 XPAFEFSGTNHZES-HSALFYBXSA-N 469.652 2.465 30 10 JEEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(=O)Nc2ccc(F)cc2)CC1 1589708114 BCRAVEOXBJGMSV-OAHLLOKOSA-N 479.582 2.394 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(CCOC)[C@@H](CC)C1 1589731561 QOLJOZJUOWXTGV-FQEVSTJZSA-N 476.647 2.319 30 10 JEEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1Cc2ccccc2O[C@H](C)C1 1593884532 IAIFLSQNJOXPMU-CRAIPNDOSA-N 467.979 2.151 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCO1 1595162119 WPNIFBYFROCLRG-SJLPKXTDSA-N 467.617 2.044 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(O)(Cc2cccc(C)c2)CC1 1595466709 MFPJKGOTISGZJR-UHFFFAOYSA-N 489.580 2.110 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1595477073 QIXMSNMDQFVXOQ-RRQGHBQHSA-N 461.906 2.488 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H](C)C(C)(C)C1 1595497090 PNOCWAISQYGKDP-KRWDZBQOSA-N 474.631 2.370 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](c2cccc(OC)c2)N(C)C)C1 1595714389 NPAVBCDKGQVLIC-HKBOAZHASA-N 454.575 2.322 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](CC)c2ccccc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1595759560 GIKVFNYGLVWLNN-PMACEKPBSA-N 480.656 2.434 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H]1c1nncn1C 1595805092 KXFBMZPAMRVPNX-GOSISDBHSA-N 477.541 2.218 30 10 JEEE C=CCSCCn1c([C@H]2CCCOC2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1595877938 DKJUXYWVLJKALS-FQEVSTJZSA-N 490.674 2.032 30 10 JEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)CC(=O)Nc1ccc(N2CCOCC2)cc1 1596488077 QTHNMORHPZWAJT-FQEVSTJZSA-N 458.559 2.227 30 10 JEEE C[C@H](C#N)CN(C)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1596813307 HXQYLXOXDQPAOY-IAGOWNOFSA-N 469.571 2.477 30 10 JEEE C#CCN(CC(=O)N1CCC(OC2CN(C(=O)OC(C)(C)C)C2)CC1)C(=O)OC(C)(C)C 1598484152 XBENTAYQVORAEL-UHFFFAOYSA-N 451.564 2.484 30 10 JEEE Cc1ccc(C)c(OCc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H]2CCCN2S(C)(=O)=O)c1 1611998775 CHBXADCQARQNGH-GCJKJVERSA-N 476.578 2.340 30 10 JEEE COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCCN1S(=O)(=O)c1c(C)cc(F)cc1C#N 1622112045 CUZFVYPYMKOXGG-INIZCTEOSA-N 455.508 2.179 30 10 JEEE Cc1cc(Br)cc(C)c1N1CCC[C@H](NS(=O)(=O)N2CCO[C@H](C#N)C2)C1 1622112927 GANNCHXHALXTPT-DLBZAZTESA-N 457.394 2.094 30 10 JEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@@]1(Cc2ccc(F)cc2)CCC[C@@H]1O 1625204472 CCTNHFGGQRUNFE-YROCYRMSSA-N 459.543 2.254 30 10 JEEE C#CCCN1CCN(C(=O)c2cc(S(=O)(=O)N3CCc4ccccc43)ccc2OC)CC1 1626206966 LVHZVAVBBSZLLX-UHFFFAOYSA-N 453.564 2.228 30 10 JEEE N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)C2=NN(c3ccccc3)[C@@H](C(N)=O)C2)CC1 1626676822 HEEPEDBIGOHYNQ-NHCUHLMSSA-N 450.930 2.169 30 10 JEEE C#CCC1(O)CCN(C(=O)c2cccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)c2)CC1 1636661098 ZUXLPXHZQVQKRR-UHFFFAOYSA-N 456.520 2.249 30 10 JEEE C=CCOC[C@@H](NC(=O)c1cc(S(=O)(=O)Nc2ccccc2F)ccc1C)C(=O)OC 1639555483 LWIQVYGQUUIOOC-LJQANCHMSA-N 450.488 2.409 30 10 JEEE C#CCn1ccc(CN(CCOC)C(=O)NC[C@H](c2ccccc2Cl)N2CCOCC2)n1 1675978480 VNTRVGRKWUKFGP-JOCHJYFZSA-N 459.978 2.401 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3csc(C)n3)n2CCc2n[nH]c(C)n2)c1 1689872169 QGRIZUNUQJJJLQ-UHFFFAOYSA-N 475.582 2.359 30 10 JEEE C#CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@H](CNC(C)=O)C1 1689915066 ORQFZUPPPOEMPX-LJQANCHMSA-N 471.631 2.313 30 10 JEEE C#CCN(c1nnc(-c2cc(C)nc3ccccc23)n1C[C@@H](C)OC)[C@H]1CCS(=O)(=O)C1 1689982183 JDMJWFWZQNFCLA-MSOLQXFVSA-N 453.568 2.463 30 10 JEEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1cnc(C)s1 1690104367 UVHMDLADAXVQJP-UHFFFAOYSA-N 452.588 2.351 30 10 JEEE C#CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1690171236 XLLDPAAYSHINHI-KRWDZBQOSA-N 465.583 2.265 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(F)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1690212582 OYWGNLVHABMPLX-HTAPYJJXSA-N 461.563 2.270 30 10 JEEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H](c1cccs1)N1CCOCC1 1690287671 OQUFQNWUOKEMSJ-ROUUACIJSA-N 465.645 2.328 30 10 JEEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](CC(C)C)C1 1690313330 QMBAIFHUHAQPOU-RTBURBONSA-N 455.625 2.076 30 10 JEEE C=C(C)COCCn1c(CCc2ccccc2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1690316487 GYQVDDVACLJDBA-RUZDIDTESA-N 466.586 2.471 30 10 JEEE C=CCCOCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1690497090 HDRMTBOIJSQGDE-QHCPKHFHSA-N 472.977 2.171 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CCC(=O)N1 1690561484 RORSBDKZLBAFEO-VWPQPMDRSA-N 450.543 2.345 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCC(=O)N2)n1CCN/C(O)=C1/N=CC=CC1=O 1690570046 UGWFJWIPEVHVMP-NKWDDMGQSA-N 479.516 2.087 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCN(C(C)=O)C[C@@H]1C 1690715062 BTWSOKMISXACHF-SFHVURJKSA-N 482.610 2.460 30 10 JEEE CC[C@H](C)NC(=O)c1cccc(Cn2c(Cn3nc(C)cc3C)nnc2N2CCO[C@H](C#N)C2)c1 1694263150 DGDIZUOHFCBYAS-HTAPYJJXSA-N 476.585 2.445 30 10 JEEE CCOC(=O)N[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCOC2=O)C1 1695973634 FAIPOMYJRYCZAX-LJQANCHMSA-N 497.556 2.286 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCc1nc(C(F)(F)F)cs1)[C@@H]1CCS(=O)(=O)C1 1705564584 CPGWETUBYOAPDE-ZIAGYGMSSA-N 489.545 2.127 30 10 JEEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(C(C)(F)F)cc1)[C@H]1CCS(=O)(=O)C1 1705566972 SUSGASNFNGKABD-ZWKOTPCHSA-N 477.537 2.016 30 10 JEEE C#CCN(c1nnc(COCC)n1CCOc1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 1705572228 UTJDXEFRAQUPDC-INIZCTEOSA-N 452.964 2.174 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N(CC)CCS(C)(=O)=O 1705895930 XIPAEOJEPACAGB-UHFFFAOYSA-N 488.383 2.020 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCN(C(=O)c3c(F)cccc3F)CC2)nnc1C(C)(C)C 1705938585 CZOYJWLXBMXQDE-UHFFFAOYSA-N 481.569 2.417 30 10 JEEE C#CCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1722324172 MBPUXUFIWYFANQ-MRXNPFEDSA-N 454.506 2.491 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1ccc(OCCOC)cc1)[C@@H]1CCS(=O)(=O)C1 1722368054 PAYBADHTNBORSU-IFMALSPDSA-N 488.610 2.220 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1Cc1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1722370233 AVGXGWKMXPEOPS-FQEVSTJZSA-N 453.568 2.343 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCN1CCCS1(=O)=O 1722373484 NWYLJLZTLHUDJE-HXUWFJFHSA-N 455.584 2.143 30 10 JEEE C#CCN1CCN(c2nnc(CCCOc3ccc(Cl)cc3C)n2C[C@@]2(C)CN(C)C2=O)CC1 1722442010 VTOVQIWTOHRCNR-RUZDIDTESA-N 485.032 2.485 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)N(C)c1ccccc1 1722475409 UYRFOYFMWCBIEI-NHCICSSKSA-N 486.642 2.128 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C[C@H]2CCOC2)CC1 1722495689 YKLRPELUCJTIKE-SJBKTWHCSA-N 474.650 2.336 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(C)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1722500669 COWGYYYZKLRFLN-SIKLNZKXSA-N 475.615 2.228 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(c2nccnc2C)CC1 1722519405 FGVNHQRCMWVRED-UHFFFAOYSA-N 453.572 2.350 30 10 JEEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cc(F)ccc2F)CC1 1722529604 XIRLHZLVSAVCSS-INIZCTEOSA-N 484.573 2.086 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)c2ccsc2)CC1 1722705861 JHUUMXVTDCIPAC-UHFFFAOYSA-N 484.557 2.322 30 10 JEEE C=CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCNC(=O)[C@H]1CC 1722737474 IAWGPUFGVDBQRO-GOSISDBHSA-N 467.599 2.309 30 10 JEEE N#Cc1ccc(-c2nnc(N3CCO[C@@H](c4nccs4)C3)n2CC(=O)NCC(F)F)cc1 1731184164 BWEIZJUBFBHMFP-OAHLLOKOSA-N 459.482 2.232 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1coc(-c2ccc(C)cc2)n1 1740554395 YXVDTZBKSBSAFH-YLJYHZDGSA-N 484.582 2.081 30 10 JEEE C#CCN(C)c1nnc(COc2cccc(C)c2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1740613272 AIPDLNRUUSVEIJ-CTNGQTDRSA-N 457.600 2.439 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1CCCN1C[C@H](C)C[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1740621786 PCUJXNHASJCNRS-NJDAHSKKSA-N 472.659 2.278 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCC(C)CC2)cc1 1740631097 PCRZFDKKEJNAKJ-HXUWFJFHSA-N 468.627 2.246 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCc1ccn(C)n1 1740639660 WNSRDQFXWZIFJI-LJQANCHMSA-N 451.575 2.442 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(Br)s2)n1CC1(C(N)=O)CCOCC1 1740682467 WKANYBJYMKOOTD-UHFFFAOYSA-N 482.404 2.137 30 10 JEEE C#CCN1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CC(C)(C)SC)CC1 1740695376 OPZICTYBTBGGPH-UHFFFAOYSA-N 461.661 2.135 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CSc3ccc(C)cc3)n2Cc2nncn2C)CC1 1740707531 GDPXNQGFRVBOJR-UHFFFAOYSA-N 464.599 2.021 30 10 JEEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 1740715368 XYCMEQQDHDAYTF-RTWAWAEBSA-N 483.686 2.467 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(S(=O)(=O)CC)CC1 1740751526 LIHYEXVWAZZSTQ-FXAWDEMLSA-N 488.614 2.310 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1740850175 CXDSZCMXGBTVHM-SFHVURJKSA-N 477.635 2.186 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C 1740941997 YEXVHNBQTTXWEC-UFYCRDLUSA-N 499.678 2.091 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1740956430 RRWVGJICJLZAKM-UHFFFAOYSA-N 466.586 2.485 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1Cc2cccc(Br)c2C1 1740991337 UHICCWZGDWMLFB-MRXNPFEDSA-N 480.388 2.113 30 10 JEEE Cc1nn(C)c(C)c1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1742658257 CTTOROFESJBKBV-SJLPKXTDSA-N 485.614 2.385 30 10 JEEE CCO[C@@H](CCn1c(CN2CCCC2=O)nnc1N1CCN(c2cc(C#N)ccn2)CC1)C(C)C 1746639113 HLQOPRRMDZZVEW-NRFANRHFSA-N 480.617 2.445 30 10 JEEE C#CCCCn1c(-c2ccc(Br)s2)nnc1N1CCN(CC(=O)NCCOC)CC1 1748740828 YRCWDKRXKDCLRH-UHFFFAOYSA-N 495.447 2.067 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1CCc1ccn(C)n1)[C@H]1CCS(=O)(=O)C1 1748810515 XJISGXZODUHNPC-KRWDZBQOSA-N 476.965 2.341 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1Cc1sccc1Br)[C@@H]1CCS(=O)(=O)C1 1748811103 BSDWEDHEXSMKBE-CYBMUJFWSA-N 493.412 2.234 30 10 JEEE C#CCN(CC#CC)c1nnc(Cc2csc(C)n2)n1C[C@@H](C)CN1CCN(CC)CC1 1748897148 VCNDXKYBPSTLFY-FQEVSTJZSA-N 453.660 2.370 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H](CCC)OC)CC1 1748972050 AROCHIIWYAOAJI-FQEVSTJZSA-N 458.994 2.432 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2nccnc2C)CC1 1749011081 UBJLOVOBDSSUDT-UHFFFAOYSA-N 454.538 2.124 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)C[C@H](C)C(=O)NC 1749120491 FAESPAQSUOCEHU-HQRMLTQVSA-N 475.615 2.148 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1749130969 OXOGPOMPWSCZQN-MLHJIOFPSA-N 491.580 2.234 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCOC2)n1C[C@]1(O)CCS(=O)(=O)C1 1749546556 AISPQROIPHRAGJ-XMSQKQJNSA-N 464.563 2.053 30 10 JEEE C=CCN(CC=C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(O)CC(OCC)C1 1749573312 NZPKLIYHIVZGJK-UHFFFAOYSA-N 450.543 2.300 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCN2C(=O)OC[C@H]2C1 1749680205 GWPKZLGTWRFLAA-CQSZACIVSA-N 481.340 2.107 30 10 JEEE C=CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(OCC(N)=O)CC1 1749756167 UCPXJROZIJLOJS-IBGZPJMESA-N 459.572 2.181 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1(N(C)C)CCC1 1760211136 BWXJVUUFDBVQSP-UHFFFAOYSA-N 467.643 2.494 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCCOC(C)C)CC1 1760267376 JPMZJJIJIGPHST-UHFFFAOYSA-N 453.543 2.455 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Cl)n2CC(=O)NCC2CC2)CC1 1760268912 ZRSJHEWTXHFWKP-UHFFFAOYSA-N 454.962 2.091 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](c2ccccc2)N(C)C)CC1 1760269313 FBVZJEUUSOYODV-YADHBBJMSA-N 450.587 2.051 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 1760315442 FOCHVSBKOBTOBC-MDYRTPRTSA-N 490.586 2.340 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCOC2(CCCC2)C1 1760315995 KYHHKJCUSHQYIB-BZSNNMDCSA-N 453.609 2.019 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(CN2CCOCC2)c1 1760338180 ZLDBTLMVPRNXIE-QFIPXVFZSA-N 473.643 2.463 30 10 JEEE C=C(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1760344835 LDVCIVQPTZSFIX-HDICACEKSA-N 461.636 2.360 30 10 JEEE C=CCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(c2nccnc2C)CC1 1760446630 XXLSHLNVEPPVCL-UHFFFAOYSA-N 497.625 2.366 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCCOC2)n1CC1(O)CCS(=O)(=O)CC1 1760480157 MWFDWVFRBBIAIE-OAQYLSRUSA-N 485.610 2.176 30 10 JEEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCC(Nc2cc(OCC)ncn2)CC1 1760522283 PWJRPDGNJLBMEM-UHFFFAOYSA-N 456.595 2.439 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)C1CCC(NC(C)=O)CC1 1760528985 SNXLRNGNPPPHEP-SDVBZNEUSA-N 460.623 2.382 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCC(=O)NC(C)C)C1 1760539752 VDHSVECTODECCP-SFHVURJKSA-N 461.588 2.045 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCO[C@@H](c2nnc(C(C)C)o2)C1 1760549033 VFVGQSKTOHEHLO-JKSUJKDBSA-N 452.581 2.477 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@H](OC)C(C)C 1762292649 AFESFHBKAYCNOR-PXNSSMCTSA-N 483.621 2.244 30 10 JEEE CC[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1)OC 1762365984 DAYSYZZWPOFQHO-ROUUACIJSA-N 493.033 2.457 30 10 JEEE CCO[C@@]1(c2nnc(N3CCN(c4cc(C#N)ccn4)CC3)n2C[C@@H](CC(C)C)N(C)C)CCOC1 1767472362 DUEYHSFEHADSBP-GJZUVCINSA-N 496.660 2.500 30 10 JEEE COc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@@](C)(C#N)C2)c(OC)c1 1768671188 FJPRBNYBVOLYMG-VGSWGCGISA-N 459.572 2.376 30 10 JEEE COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1cc(F)cc(F)c1 1769844717 CDOIQHKSRJDOQI-INIZCTEOSA-N 453.515 2.068 30 10 JEEE COc1ccccc1OCc1nnc(N2CC[C@](F)(C#N)C2)n1CCN1CCOCC1(C)C 1770509191 GZCMHSYUIXVKGG-QHCPKHFHSA-N 458.538 2.418 30 10 JEEE COC(=O)c1ccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCCN2CCOCC2)cc1 1862592651 HQWXDGTWXBSHQH-QFIPXVFZSA-N 480.517 2.479 30 10 JEEE COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CCO)cc(Br)c1O 1862636849 PTNKHMICRFVCIX-QGZVFWFLSA-N 492.278 2.463 30 10 JEEE COC(=O)c1ccc(C(=O)OC)c(NC(=O)CNC(=O)C2CCN([C@@H](C#N)c3cccs3)CC2)c1 1868146054 PJZDBXGMWKZRGO-IBGZPJMESA-N 498.561 2.353 30 10 JEEE N#Cc1ccccc1NC(=O)CNC(=O)C[C@H](c1cccc(Br)c1)c1nn[nH]n1 1868164166 AMYBAIIPKINXRK-OAHLLOKOSA-N 454.288 2.111 30 10 JEEE C=CCN(CC=C)c1nc(=NCCN2C(=O)CSC2=O)nc(Nc2ccc3n[nH]cc3c2)[nH]1 1871630453 QKCXQQRCOPZOCD-UHFFFAOYSA-N 465.543 2.199 30 10 JEEE C=CCOc1ccccc1OCC(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)CC1 1873782020 PAORFRBCUFTRJH-HXUWFJFHSA-N 493.560 2.363 30 10 JEEE COc1cc(/C=N/n2c(SCCO)nnc2[C@H]2CC(=O)N(C(C)(C)C)C2)cc(OC)c1OC 1874280743 ZKMCROIVVRZDIG-GIEPYWIESA-N 477.587 2.385 30 10 JEEE COc1ccc(OC)c(CC(=O)N2CCC(OCC#CCN3CCN(C(C)C)CC3)CC2)c1 1890335802 IGQUMJKWIOUVOI-UHFFFAOYSA-N 457.615 2.283 30 10 JEEE N#C[C@@H]1CN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)CCN1Cc1ccccc1 1914922946 SIAMEPREAXSGFT-HXUWFJFHSA-N 466.563 2.103 30 10 JEEE CC(C)NS(=O)(=O)c1ccc(C(=O)Nc2cccc(S(=O)(=O)N=C3CCCN3C)c2)cc1 2040787943 QVLOKGLHCFURCH-UHFFFAOYSA-N 478.596 2.438 30 10 JEEE CC(C)(C#CC(=O)N1CCC(CO)(CNC(=O)OC(C)(C)C)CC1)NC(=O)OC(C)(C)C 2082778705 KTAOQWGZLUNMFY-UHFFFAOYSA-N 453.580 2.419 30 10 JEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](C(=O)N2CC[C@H]3C[C@@]3(B3OC(C)(C)C(C)(C)O3)C2)C1 2197801849 OGNUHXRHSYYFLZ-PONJGIIJSA-N 484.424 2.105 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2255808596 LVRZBILGKTUUER-UKRRQHHQSA-N 452.382 2.005 30 10 JEEE CC(C)(C)OC(=O)N1CCSC[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2255852758 IIYHDJMGZMMPMC-OAHLLOKOSA-N 451.398 2.396 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2256623180 BNZCGKIQIVDQIY-STQMWFEESA-N 452.386 2.139 30 10 JEEE CC(C)(C)OC(=O)N1CC([C@H](F)C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)C1 2256623511 QZUGQFSRGZWROQ-AWEZNQCLSA-N 455.361 2.264 30 10 JEEE CN(C)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1Oc1nccc(B2OC(C)(C)C(C)(C)O2)c1F 2265996938 CGRZZWOIYJKORJ-HOTGVXAUSA-N 451.348 2.448 30 10 JEEE CCO[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)[C@H]1NC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2267172085 SOYXVTMEAVPERV-RBSFLKMASA-N 467.397 2.243 30 10 JEEE CN1CCN(C(=O)OC(C)(C)C)[C@H](CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2267217337 GEYWTFBNEVJQOV-OAHLLOKOSA-N 465.425 2.328 30 10 JEEE COC(=O)[C@H](CCNC(=O)c1csc(B2OC(C)(C)C(C)(C)O2)c1)NC(=O)OC(C)(C)C 2267281460 VDNWXMPGZINDBZ-AWEZNQCLSA-N 468.381 2.234 30 10 JEEE CN(Cc1ccccc1)[C@@]1(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)CCOC1 2267537316 HKBGGOMAHOWVGS-HSZRJFAPSA-N 457.405 2.463 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H](C(=O)NCc2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2268662977 GLOJTTURCQJLKC-HOCLYGCPSA-N 466.409 2.281 30 10 JEEE CC(C)(C)OC(=O)N(CC(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1)[C@H]1CCOC1 2272568887 KDOQVNBAHIDATP-AWEZNQCLSA-N 467.397 2.085 30 10 JEEE C[C@@H](NC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 2281974783 ZDPWKJICHLJWJE-CVEARBPZSA-N 462.400 2.485 30 10 JEEE Cc1c(C(=O)N=[S@](C)(=O)C[C@@H](C)NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281984072 CGAHKJMBVAHEQX-AADXJYSNSA-N 484.428 2.179 30 10 JEEE CCc1nn(C)c(C(=O)NCC2(NC(=O)OC(C)(C)C)CCC2)c1B1OC(C)(C)C(C)(C)O1 2281991495 AXBHQDYIYUCBTO-UHFFFAOYSA-N 462.400 2.459 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](CO)[C@H](NC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)CC1 2282009185 OOIOUJKZAYXFOG-GOEBONIOSA-N 481.424 2.180 30 10 JEEE CC1(C)OB(c2cnc(C(=O)N[C@@H]3CN(Cc4ccccc4)CC(F)(F)C3)nc2)OC1(C)C 2282020602 AJILGIFMNGSVEA-SFHVURJKSA-N 458.318 2.415 30 10 JEEE COCC[C@@H](CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1F)NC(=O)OC(C)(C)C 2282041487 XQSPYNHNTXWBOC-HNNXBMFYSA-N 467.347 2.180 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1C[C@H](C)N(C(=O)OC(C)(C)C)C1 2282067634 QYPRUKQLIMPELL-HOCLYGCPSA-N 462.400 2.403 30 10 JEEE COCCN(CCNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1)C(=O)OC(C)(C)C 2282338992 VIOJDAWLZCKCJF-UHFFFAOYSA-N 484.424 2.148 30 10 JEEE C[C@H]1C[C@@H](NC(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)CCN(C(=O)OC(C)(C)C)C1 2282588886 JHOMHYROUPMZFL-HOTGVXAUSA-N 462.400 2.485 30 10 JEEE CC(C)(C)OC(=O)N1CCC([C@@H](F)CNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CC1 2282599329 RXBJAUFLYWGFMA-INIZCTEOSA-N 466.363 2.424 30 10 JEEE CCn1ncc(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 2282607961 OMJOSOUEKRYCSO-SCAQPMJSSA-N 460.384 2.140 30 10 JEEE Cc1cnc(C(=O)Nc2nnc(CNC(=O)OC(C)(C)C)o2)c(B2OC(C)(C)C(C)(C)O2)c1 2282658669 ZUYVOIGOMVJIIJ-UHFFFAOYSA-N 459.312 2.349 30 10 JEEE C[C@@H]1CN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C[C@]1(C)CNC(=O)OC(C)(C)C 2282706818 RCCQZYBLZCQUMY-CMJOXMDJSA-N 460.384 2.399 30 10 JEEE CCN(C(=O)OC(C)(C)C)[C@H]1COC[C@@H]1C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2283961981 GOTSNBDBNABQQZ-GJZGRUSLSA-N 481.424 2.331 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1NC(=O)[C@H]1COC[C@@H]1NC(=O)OC(C)(C)C 2283964715 PYFJJVYMERFSHV-RDJZCZTQSA-N 462.352 2.473 30 10 JEEE Cn1cc([C@@H](NC(=O)OC(C)(C)C)C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)cn1 2283966501 XDPKVWMXNKMMNP-OAHLLOKOSA-N 477.396 2.058 30 10 JEEE CC(C)(C)OC(=O)N[C@]1(C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C[C@@H](O)C1(C)C 2284051776 SNCANBSCHABMJK-DMZKTXOQSA-N 481.424 2.113 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)NCCc2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2284065072 CHPHFSPMTAXSCQ-DEOSSOPVSA-N 460.380 2.016 30 10 JEEE CO[C@@H]1CN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2C)C[C@@H]1NC(=O)OC(C)(C)C 2285198635 PIPRHGAHSIPSSE-DLBZAZTESA-N 461.368 2.053 30 10 JEEE COC[C@H]1C[C@H](CNC(=O)OC(C)(C)C)N(C(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2289504860 BNOQKYVHMPYHFF-LSDHHAIUSA-N 481.424 2.444 30 10 JEEE COC[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)N(C(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C1 2289594214 AVCBHBDSGMVXGZ-HUUCEWRRSA-N 481.424 2.444 30 10 JEEE CCOCCCN1C(=O)C(=Cc2c(C)c(C#N)c(=O)n(C)c2N2CCN(CC)CC2)SC1=S 2297463910 BWRGIVHEKBJOCW-UHFFFAOYSA-N 489.667 2.335 30 10 JEEE C[C@@H]1CCN(C(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)[C@H](C)[C@H]1NC(=O)C(F)(F)F 2337329600 DTFYAGAEHFESDI-WZRBSPASSA-N 461.315 2.360 30 10 JEEE COc1cc(/C=N/Nc2nnc(SCC(=O)Nc3ccccc3Cl)n2N)cc([N+](=O)[O-])c1O 21326733 JDDHOFQNXBJBMY-ODCIPOBUSA-N 492.905 2.445 30 10 JEEE COc1ccc(CCn2c(N/N=C(\C)c3ccc([N+](=O)[O-])cc3)nc3c2c(=O)[nH]c(=O)n3C)cc1 33736717 GKSQNCOYKZAFSW-VULFUBBASA-N 477.481 2.419 30 10 JEEE C=CCN1C(=O)/C(=c2\sc3nc(-c4cccnc4)nn3c2=O)c2cc(Br)ccc21 34983591 XRPOWXHLCSSMEK-NXVVXOECSA-N 466.320 2.426 30 10 JEEE C=CCNC(=O)c1cn(CCC)nc1S(=O)(=O)N1CCN(c2ccc(Cl)cc2)CC1 65152197 ROLOGJZUAPPKAS-UHFFFAOYSA-N 451.980 2.373 30 10 JEEE COc1ccc(C(=O)/C(C#N)=c2\s/c(=C\c3cc(Cl)c4c(c3)OCO4)c(=O)n2C)cc1 102699185 UXLJJFFWRKCUQQ-WTLOJBDJSA-N 454.891 2.223 30 10 JEEE Cc1ccccc1NC(=O)CSc1nnc(N/N=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1N 253570329 NLMSCBVEAWAXGN-AWQFTUOYSA-N 471.459 2.294 30 10 JEEE N#CC(C(=O)Nc1ccccn1)=c1sc(=Cc2ccccc2)c(=O)n1CCc1ccccn1 523859072 BPURCGBAAHTJSR-UHFFFAOYSA-N 453.527 2.084 30 10 JEEE C=CCn1c(S)nc2cc(C(=O)N[C@H]3CC(=O)N(c4cccc(OC)c4)C3)ccc2c1=O 725902996 AFSWAHROESSVRI-HNNXBMFYSA-N 450.520 2.415 30 10 JEEE COc1ccc(-n2c(=C(C#N)C(=O)c3ccccc3F)sc(=Cc3cnn4ccccc34)c2=O)cn1 729672551 UGQBMLUCBGVITO-UHFFFAOYSA-N 497.511 2.475 30 10 JEEE C#CCN(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1CCN1CCN(C(C)=O)CC1 1286368690 XPOWQCFJUIXWNX-UHFFFAOYSA-N 462.554 2.351 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1CC[C@@H](C)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 1286386631 FBFSLOAQXGUGCB-UXHICEINSA-N 458.632 2.175 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1CC(C)(C)N1CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1286386720 GLXGLJXHASZHDL-PMACEKPBSA-N 470.643 2.477 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@](C)(O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1286391110 GBTASSCEQVYXHC-REWPJTCUSA-N 485.635 2.168 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H]1CCSC1(C)C)[C@H]1CCS(=O)(=O)C1 1286391302 HBSQIJOGEYLXGZ-OALUTQOASA-N 459.641 2.422 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCSC1)[C@@H]1CCS(=O)(=O)C1 1286398172 WJCCAYPOAAJOHB-VQTJNVASSA-N 485.635 2.499 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1CC(=O)N1CCN(c2ccccc2)CC1 1286411417 SLICNVBNXONXAZ-UHFFFAOYSA-N 473.606 2.055 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@H]2COCCO2)CC1 1286474416 JCYIYROPWOQZBQ-INIZCTEOSA-N 464.339 2.017 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2oc(CC)nc2C)CC1 1286480381 MXKWYMFRLRUCCW-LJQANCHMSA-N 499.616 2.249 30 10 JEEE C#CCSCCn1c(COc2ccc(F)cc2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1286510394 RCPSGKBUZKYZQK-KRWDZBQOSA-N 452.577 2.376 30 10 JEEE C=C(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(CC(=O)Nc2c(C)cccc2C)CC1 1286583181 MOVTXRLVAMWLPY-UHFFFAOYSA-N 453.591 2.370 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1286611690 NXIPLVRIVKTPAD-RTBURBONSA-N 457.579 2.162 30 10 JEEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1286628772 GDBVPSHTMREIKQ-INIZCTEOSA-N 467.954 2.034 30 10 JEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cc(COC(C)(C)C)on2)CC1 1286638115 UYSJGANVOAXWNE-HNNXBMFYSA-N 452.581 2.396 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2sc(C)nc2C)CC1 1286663090 GIECYADYVBTJKC-GOSISDBHSA-N 480.660 2.329 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1CCOCC1 1286764110 GIAJKLLASKUROA-LJQANCHMSA-N 477.631 2.119 30 10 JEEE C=CCn1c(C(C)C)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)C2(CCS(=O)(=O)CC2)C1 1286768901 BCGVVJSVNWWILI-MRXNPFEDSA-N 453.609 2.496 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1286815269 QEQYSLZQEYRYAC-CJNGLKHVSA-N 472.409 2.498 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCN(C(C)=O)C[C@H]2C)nnc1C1(c2ccccc2)CCC1 1286824630 FZRGLPMMNBBTNQ-LJQANCHMSA-N 471.627 2.406 30 10 JEEE CCN(CC)C(=O)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC2(CC1)COC(=O)N2 1295322409 FWLUZKBOVQLMPV-UHFFFAOYSA-N 495.584 2.456 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2OCCC2(C)C)c1 1300334728 RPNRIRLAKYWKLY-QUCCMNQESA-N 485.610 2.052 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H]1C[C@H]1C)[C@H]1CCS(=O)(=O)C1 1300479330 LUXLQUOWRDMAEP-HBFSDRIKSA-N 455.584 2.430 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(OC)c2)n1Cc1ccc(-n2cncn2)nc1 1300569464 LXFBISFQYCOIDY-UHFFFAOYSA-N 468.521 2.449 30 10 JEEE C#CCN(CC#CC)c1nnc(COc2ccc(Cl)cc2)n1Cc1cn(C2COC2)nn1 1300591335 NWEDAKFZWTUFRN-UHFFFAOYSA-N 451.918 2.185 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](C)Oc2cccc(C)c2)CC1 1300710767 KOMJZKPPFOZDMO-LJQANCHMSA-N 466.586 2.158 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 1300988265 AHPOPIKDLBUCLF-HNAYVOBHSA-N 480.553 2.303 30 10 JEEE C=CCCCCn1c(-c2cccnc2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1301182602 JYPCLJMKNXGWDR-FQEVSTJZSA-N 460.604 2.327 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1([S@@](C)=O)CC1 1301339254 KJJGPQNGAVJTSS-QPHCHLROSA-N 473.624 2.156 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1CCOC1=O 1301348465 AWRAHTDYJUDRMD-LJQANCHMSA-N 459.572 2.215 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1301530996 CGHLSABFRQZNKL-FPOVZHCZSA-N 487.626 2.146 30 10 JEEE CCN(CCn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1)C1CC1 1313804208 CSNQSQAGGJTTGY-OAQYLSRUSA-N 451.575 2.350 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CC(F)(F)CO1 1358877189 YMNBCTVIHQFOGQ-ZBFHGGJFSA-N 453.515 2.078 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(Cc2ccccc2)CC1 1358890849 WIBSGASUQNGWLN-ICSRJNTNSA-N 457.600 2.092 30 10 JEEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1358906863 WBRIVNXOPPXZIG-HSZRJFAPSA-N 486.598 2.030 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1CCCCN1CCC[C@H]1CO 1358971213 LYCADSRXRVQTKY-IBGZPJMESA-N 473.419 2.356 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCNC(=O)c1ccco1 1358983291 BZQTVJCACOLGAA-SFHVURJKSA-N 466.542 2.446 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCc1nnc(C)s1 1358992032 XBYVKJPJYKYJLD-UHFFFAOYSA-N 472.578 2.448 30 10 JEEE C=CCC(C)(C)Cn1c(-c2noc3c2COCC3)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1359187848 ZGKFEAHTQLPLFQ-HNNXBMFYSA-N 464.592 2.078 30 10 JEEE C=CC[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC[C@@H]1C)c1ccccc1 1359195488 NKJVIHWRGYFEIB-CEWLAPEOSA-N 475.615 2.196 30 10 JEEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCn1cc([C@@H]2CCOC2)cn1 1359233427 DRDQBOKJDAWCJM-GOSISDBHSA-N 456.572 2.371 30 10 JEEE C=CCS(=O)(=O)CCNC(=O)c1nnn(Cc2cccc(Br)c2)c1CCC 1435647908 OBBNWJHPLAJPQH-UHFFFAOYSA-N 455.378 2.372 30 10 JEEE C#CCN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1)C(=O)OC(C)(C)C 1441029542 LYQVBQHRURCBKX-UHFFFAOYSA-N 455.964 2.043 30 10 JEEE Cc1cccc([C@H](NCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C(=O)OC(C)(C)C)c1 1460867466 AHFVWGDUFILBGD-NRFANRHFSA-N 453.543 2.484 30 10 JEEE C#CCNC(=O)c1ccccc1NC(=O)c1cc(Br)cc(S(N)(=O)=O)c1C 1464643622 XQEZPLCUHXGRKA-UHFFFAOYSA-N 450.314 2.020 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1CCCC[C@@H]1NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1465230883 BSBIGULXPVOKAL-AEFFLSMTSA-N 450.561 2.036 30 10 JEEE C=CCc1cc(CNS(=O)(=O)c2ccc(S(=O)(=O)NC)c(C)c2)cc(OC)c1OC 1474892602 GPAPDEXPGCXHJO-UHFFFAOYSA-N 454.570 2.127 30 10 JEEE CCN(C(=O)OC(C)(C)C)[C@H](C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1 1501375509 DSVBWXKNZLFLCC-HZPDHXFCSA-N 483.639 2.274 30 10 JEEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](NC(=O)OC(C)(C)C)C(C)C)CCO1 1503771209 HRGRZSQSMMDBPW-PMACEKPBSA-N 497.600 2.317 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OCC)CCOC3)n2C[C@@H]2CCCN2CC)c1 1507548845 DCQGMFRYHZIZAY-NVQXNPDNSA-N 480.613 2.471 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CC[C@@H]2CCCCO2)c1 1507550667 OMOKNTMUUZAPIM-PMACEKPBSA-N 450.543 2.245 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1Cc1nc(C)cs1)[C@@H]1CCS(=O)(=O)C1 1507626574 AUGZDLJIULYNSR-GOSISDBHSA-N 452.565 2.257 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccc(C(F)(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 1507632052 IPEOEQLPWLTUQH-SJLPKXTDSA-N 468.501 2.476 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(Br)cn2C)n1CC1CCS(=O)(=O)CC1 1507662872 XQULIBWAHJFUEP-UHFFFAOYSA-N 478.416 2.334 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccco1)N(CC)CC 1507669726 QMUUBGXORIZZKH-VQTJNVASSA-N 457.600 2.319 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@]1(O)CCOC1 1508041275 LBMXLCKMVQQTER-FDDCHVKYSA-N 465.595 2.183 30 10 JEEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCCN(c2nc(C)ns2)CC1 1508091506 LZZDGIIYWSLJHX-UHFFFAOYSA-N 482.614 2.344 30 10 JEEE CC(C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@@H](N1CCOCC1)C(F)(F)F 1508999447 BDZUPLLAJIBIIN-FUHWJXTLSA-N 493.538 2.041 30 10 JEEE CCOC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1516084579 BJBIJYVSYUWIRD-UHFFFAOYSA-N 460.604 2.492 30 10 JEEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(N2CCOCC2)CCSC1 1539029591 KJIOKFMZTROTEN-YADARESESA-N 466.611 2.395 30 10 JEEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CN(Cc2ccccc2)CCO1 1539153701 IYCLWXDOHNCEIQ-RDGATRHJSA-N 453.587 2.289 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@](C)(O)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 1539212592 VZVUAUBGQTZNGV-WMZHIEFXSA-N 459.616 2.242 30 10 JEEE C=CCCOCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCN(S(C)(=O)=O)CC1 1540034038 UNWOETKAOKUIJF-UHFFFAOYSA-N 472.571 2.274 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1-n1ccnc1 1540169279 BREQIJHGNLIBOW-NRFANRHFSA-N 483.598 2.023 30 10 JEEE C=CCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1540856166 XEXXRDGDQSSQOE-UHFFFAOYSA-N 463.380 2.112 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N(C)Cc1c(C)nn(C)c1C 1540871551 NZQPEBTUKKDFKX-HXUWFJFHSA-N 451.531 2.080 30 10 JEEE C=CCNC(=O)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1540873351 VYYSTBKJIOEDLJ-OAHLLOKOSA-N 489.502 2.157 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1540875186 DCXOPFOEPRYHDC-OAQYLSRUSA-N 463.007 2.488 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2CC2(C(N)=O)CCOCC2)C1 1540892286 JDLMFRQDTVWIBO-INIZCTEOSA-N 461.513 2.211 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@H](CC)C1 1540898491 MDQGMDPWPLDSOK-OAHLLOKOSA-N 472.409 2.262 30 10 JEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)c3ccc(C)c(OC)c3)CC2)c1 1542066589 FTFRMHXBOXGTFY-UHFFFAOYSA-N 454.548 2.399 30 10 JEEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCS(C)(=O)=O)C[C@H](C2CC2)O1 1545058002 CLFPXIWXVXDRSO-OXQOHEQNSA-N 459.572 2.167 30 10 JEEE C=CC[C@]1(C(=O)N2CCN(C[C@H]3CCCS3(=O)=O)CC2)CCCN1C(=O)OC(C)(C)C 1557805143 IRZFKOHXZIVPAF-XMSQKQJNSA-N 455.621 2.054 30 10 JEEE C#CCN1CCN(C(=O)CSc2nnc([C@@H](CC)N(C)C)n2-c2ccc(OC)cc2)CC1 1559313662 ZGIGXLUVXXRCHD-HXUWFJFHSA-N 456.616 2.158 30 10 JEEE C#CCN(c1nnc(Cn2ccc3ccccc32)n1CCCCCO)[C@@H]1CCS(=O)(=O)C1 1588068848 AQFWEUJMVUVTTC-HXUWFJFHSA-N 455.584 2.070 30 10 JEEE C=C(C)COCCn1c(-c2cccc(C)n2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1593735282 BGQVEQAEACVMFL-OAQYLSRUSA-N 467.618 2.374 30 10 JEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 1594813357 RFLOBCSSFHKQNG-QZTJIDSGSA-N 483.635 2.124 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C2CCC2)CC1 1595466209 GFSLPGPKLWZJBY-UHFFFAOYSA-N 451.575 2.124 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1595496569 AFMATADKEPIYMB-LJQANCHMSA-N 464.574 2.381 30 10 JEEE C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCCC(=O)NC1CC1 1596866575 HBLJXBWMLGSHKF-JKSUJKDBSA-N 458.588 2.133 30 10 JEEE CC(C)N(C)CC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCN(C)C2)CC1 1607881533 GVOUIJGFAQVLPM-AREMUKBSSA-N 481.645 2.352 30 10 JEEE C#Cc1ccc(NC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccc(Cl)cc2)cc1 1640257700 AXDYCZOLTUYZMR-GOSISDBHSA-N 454.957 2.042 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCCO[C@@H]1C1CCN(S(=O)(=O)c2cncc(C#N)c2)CC1 1655557385 DWZXYLXCMQZHBN-RBUKOAKNSA-N 450.561 2.426 30 10 JEEE C#CCNS(=O)(=O)N1CCN(Cc2c(C(C)(C)C)nn(-c3ccccc3)c2Cl)CC1 1660573895 BAFWHYGCHILGRI-UHFFFAOYSA-N 450.008 2.408 30 10 JEEE CCOC(=O)C1CCN(S(=O)(=O)N2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)CC1 1668971316 ARDGYTKDVBMSQT-LJQANCHMSA-N 454.980 2.042 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2cccc(C)c2C)n1Cc1ccn(C)n1)[C@H]1CCS(=O)(=O)C1 1689979440 BETDAYSWXCKFCG-CTNGQTDRSA-N 482.610 2.443 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(NC(C)=O)nc1)[C@@H]1CCS(=O)(=O)C1 1689984445 PKCUYGDPTYYQPQ-GOSISDBHSA-N 499.984 2.022 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1ccc(C)cc1OC)[C@@H]1CCS(=O)(=O)C1 1689994178 SNVQYEFXNFDJOX-OAQYLSRUSA-N 465.579 2.256 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc3ccccc3n2)n1CCN/C(O)=C1/N=CC=CC1=O 1690098278 CIUUQXXNRQKTCT-GYHWCHFESA-N 471.521 2.106 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2CC[C@H](F)C2)CC1 1690137570 CVUCXYGLAZZOPU-WWEVIYMKSA-N 461.582 2.423 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCCc3ccccc3)n2C[C@@]2(C)COCCO2)CC1 1690150372 FEBCIMCFPSWWIY-SANMLTNESA-N 465.598 2.225 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1690250998 NVZHNHBYKJSEAI-QNIAMRLHSA-N 498.676 2.158 30 10 JEEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCS(=O)(=O)C(C)(C)C 1690516191 AZWWSHUBTDNMNE-UHFFFAOYSA-N 468.649 2.382 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 1690674138 QGOXNRKJFCNQBV-LJQANCHMSA-N 492.628 2.196 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Br)n2CCS(=O)(=O)N(C)C)C1 1690691348 BXFPKPVDDXXDSJ-OAHLLOKOSA-N 484.420 2.380 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCc2n[nH]c(C)n2)C1 1690700724 WQAMSAKQBGTYLG-MSOLQXFVSA-N 488.593 2.037 30 10 JEEE CC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCOC2=O)CCN1CCOC 1694929931 DGFDHXZUBJYMSZ-NRFANRHFSA-N 467.574 2.206 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCSC1(C)C)[C@@H]1CCS(=O)(=O)C1 1705561098 NGZHOQLDDNQROD-SVMVAKDDSA-N 482.672 2.089 30 10 JEEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1705667016 HXPXURSPUGJCGE-PMACEKPBSA-N 471.631 2.102 30 10 JEEE C=C(C)CN(CC)c1nnc(C(=O)NC(C)C)n1Cc1ccc(N2CCN(CC)CC2)nc1 1705707749 QQJYQSYZEWGRHA-UHFFFAOYSA-N 454.623 2.404 30 10 JEEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2nc(O)c(C#N)cc2C1 1705786222 JAJBYRCMHDOEJX-AWEZNQCLSA-N 459.576 2.026 30 10 JEEE C=CCN(CC=C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN1CCN(C)C(C)(C)C1 1705871326 GGZYBPPBRBMMKF-UHFFFAOYSA-N 462.606 2.125 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1705906624 KULGUNXOFLBUON-LJQANCHMSA-N 469.586 2.496 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1(C(N)=O)CCCC1 1706747844 CUAVOBRQCPQGGT-HNNXBMFYSA-N 458.592 2.022 30 10 JEEE COCC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC(F)(F)C2)CC1 1712106768 DXKBLSMZARTJMG-SFHVURJKSA-N 474.512 2.459 30 10 JEEE C#CCCCn1c(N2CCN([C@H](C)c3nc(C)no3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1722341439 XZMHUQJYIUYKGO-JPYJTQIMSA-N 457.579 2.307 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1CC1CCN(CCC)CC1)[C@@H]1CCS(=O)(=O)C1 1722363930 CWTNYKFYDAPHMG-OAQYLSRUSA-N 490.699 2.383 30 10 JEEE C#CCN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCS(=O)(=O)CC=C 1722411728 OFFYKURBLZJEEA-UHFFFAOYSA-N 465.620 2.453 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1Cc1ccccc1CN1CCOCC1 1722428498 GMZUOFJTXRYRRH-QHCPKHFHSA-N 453.587 2.486 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(COc4ccccc4)o3)n2CC(=O)N(C)C)CC1 1722443305 QVMKLBAUVWLRNQ-UHFFFAOYSA-N 490.564 2.171 30 10 JEEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C(=O)NCCCC)CC[C@@H]1C 1722543036 KQEAMHQENQHGJW-JYJNAYRXSA-N 461.032 2.162 30 10 JEEE C=CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)OC)CC1)c1ccccc1 1722594216 HSCGAMKSEVDCLW-IEBWSBKVSA-N 476.603 2.137 30 10 JEEE C=CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(S(C)(=O)=O)CC1)C1CC1 1722645446 MYIBYBAEPZTXOJ-UHFFFAOYSA-N 450.586 2.081 30 10 JEEE C=CCNC(=O)Cn1c(N[C@H](C)[C@H](OC)c2ccccc2Cl)nnc1[C@H]1CCS(=O)(=O)C1 1722704489 UNZXUMZBFYMJEG-VCBZYWHSSA-N 482.006 2.324 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@@H](C)[C@H]1C 1722729327 YZIJOKQMUNYKGK-QZTJIDSGSA-N 459.620 2.288 30 10 JEEE CC(C)[C@@H]1OCCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1723245862 BSTHWWAIMIHHCX-SFTDATJTSA-N 472.615 2.350 30 10 JEEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H]1CCCCO1 1729396261 BFZAFXAPSWBXIC-NHCUHLMSSA-N 488.614 2.078 30 10 JEEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCCC[C@@H]2C)CCO1 1729679657 AMYHTNKPELJRPB-RXVVDRJESA-N 451.575 2.032 30 10 JEEE COc1cc(OC)c(CCn2c(C(=O)N3CCCC3)nnc2N2CC[C@@](F)(C#N)C2)c(OC)c1 1730007693 CWPXYFXCOHVNSN-HSZRJFAPSA-N 472.521 2.225 30 10 JEEE C#CCN(c1nnc(-c2ccc(Br)s2)n1CCOC)[C@H]1CCS(=O)(=O)C1 1740618867 KZZUHESXXKLITD-LBPRGKRZSA-N 459.391 2.042 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCc1cc(C)ccc1OC)[C@@H]1CCS(=O)(=O)C1 1740623843 BQKVWEYWAAFZTE-JOCHJYFZSA-N 496.637 2.326 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H]1CCC[C@@H](O)C1 1740683897 GTGUBGAUHZNKMN-RBUKOAKNSA-N 464.570 2.312 30 10 JEEE C=C(Cl)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)NCCCN2CCCC2)CC1 1740800019 DBDPYBQLRMTCDW-UHFFFAOYSA-N 478.041 2.085 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 1740962036 PVFSMBGILIRFLL-UHFFFAOYSA-N 479.972 2.068 30 10 JEEE C=CCNC(=O)Cn1c(N2CCc3cc(OC)c(OC)cc3CC2)nnc1[C@]1(OC(C)C)CCOC1 1740966052 VORSEPLCFJNFSJ-SANMLTNESA-N 499.612 2.243 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1740987240 DALAXKFZFNRHKA-KRWDZBQOSA-N 461.588 2.385 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCc2c(ccnc2O)C1 1740988790 PNADQTZAKFFOQE-UHFFFAOYSA-N 485.566 2.226 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 1740991809 FFWZKXIHFQZYQS-INIZCTEOSA-N 452.581 2.162 30 10 JEEE CCOc1c(OC)cc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@@](F)(C#N)C2)cc1OC 1746757697 BHEDEEPSNNEYRB-IVZQSRNASA-N 458.494 2.135 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCN1CCCO[C@H](C)C1 1748651224 JZDIDKCGGJQVCA-RBUKOAKNSA-N 459.616 2.307 30 10 JEEE C#CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCNS(=O)(=O)Cc1ccon1 1748775695 QWUNFWCLNWKLTH-UHFFFAOYSA-N 474.612 2.453 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1CCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1748810169 ZTYYATFYOOHWSB-SFHVURJKSA-N 490.536 2.378 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCC[C@@H]1NC(=O)NC1=O 1748868400 VZOGSMZAUQLADW-UXHICEINSA-N 462.554 2.486 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCSC1 1748941101 XDZATYNTMCSSAQ-NVXWUHKLSA-N 451.593 2.420 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@H](COC)OC)CC1 1749006881 ZRTXLOVERZUMGE-QGZVFWFLSA-N 463.941 2.365 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@H](c2noc(C)n2)C1 1749114645 DSYDABMPDVGJNP-WDSOQIARSA-N 473.578 2.447 30 10 JEEE C=C1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCS(=O)(=O)N(C)C)CC1 1749304208 XIFNLSHXOPHNAC-UHFFFAOYSA-N 482.651 2.440 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@H](CN(CC)CC)C1 1749668805 FIPUVZLZDAOQMJ-NQIIRXRSSA-N 454.575 2.261 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)c2ccsc2)CC1 1749724793 NABZHTSIFXEYIK-UHFFFAOYSA-N 475.596 2.471 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@@](C)(O)c1ccsc1)[C@H]1CCS(=O)(=O)C1 1760190338 PFWJYSCOEGCUDF-GHTZIAJQSA-N 491.664 2.230 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@@](C)(O)c1ccsc1)[C@@H]1CCS(=O)(=O)C1 1760190350 PFWJYSCOEGCUDF-WIYYLYMNSA-N 491.664 2.230 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1760214343 KORPJJUOSXEXHT-JOCHJYFZSA-N 490.608 2.122 30 10 JEEE C#CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC[C@H](NC(C)=O)C1 1760279774 JSFQCTQOLRQGTO-SFHVURJKSA-N 479.610 2.146 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CC)Cc1nc(O)c2sccc2n1 1760281645 PHTUHZQOFAYBNS-AWEZNQCLSA-N 492.652 2.283 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1760289034 GMZYPDATSSBGHE-HRAATJIYSA-N 458.544 2.127 30 10 JEEE C=C(Br)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(=O)COC)CC1 1760308474 GLBPVWZMFWFPIJ-UHFFFAOYSA-N 470.318 2.351 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 1760524691 GIPFNDHYORUKBV-GOSISDBHSA-N 469.521 2.395 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(N(C)C)c(F)c2)C1 1760543631 QLEAKNKRAJJGPA-MSOLQXFVSA-N 463.579 2.215 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)c(C)c2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1760557825 XDSNNPVWXKYXGA-YKSBVNFPSA-N 490.626 2.459 30 10 JEEE CC[C@H](C)NC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C(=O)OC)C1 1762050188 BUERONIESYMHFX-WMZOPIPTSA-N 454.531 2.033 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)[C@@H](C)Oc3cccnc3NC(=O)NC[C@@H](C)NC(C)=O)cc21 1858806808 GCHKUMSVMPYAJN-HZPDHXFCSA-N 495.536 2.289 30 10 JEEE O=C(C1=C(O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccc(O)c(O)c1)c1c(F)cc(F)cc1F 1862458152 HCSHISGSPOFGIK-FQEVSTJZSA-N 478.423 2.426 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCO)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1F 1862647669 IUODEQJFGHTHTF-LJQANCHMSA-N 461.442 2.431 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2cc(OC)c(O)c(OC)c2)cc1 1862696588 STRIUVZCJUJJSO-QFIPXVFZSA-N 498.532 2.329 30 10 JEEE O=C([C@@H](Cc1c[nH]c2ccccc12)N=C1NS(=O)(=O)c2ccccc21)N1CCC2(CC1)OCCO2 1869927974 KDQJNKNSEHHZLG-OAQYLSRUSA-N 494.573 2.183 30 10 JEEE COc1cc(C(=O)Nc2c(C#N)nnn2-c2cccc(NC(C)=O)c2)c([N+](=O)[O-])cc1OC 1870156835 FBOYJAFBCGRWRN-UHFFFAOYSA-N 451.399 2.275 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCc2ccccc2OC)cn1CCCO 1870641363 DQAALLCZKKTCSR-UHFFFAOYSA-N 455.555 2.109 30 10 JEEE C=CCN(CC=C)c1nc(=NCCCCN2CCCC2)[nH]c(=Nc2ccc3c(c2)C(=O)N(C)C3=O)[nH]1 1871632417 FTDPLRQORKDRQD-UHFFFAOYSA-N 490.612 2.151 30 10 JEEE CN1CCN(CC#CCOC2CCN(C(=O)c3ccc(F)c(Br)c3)CC2)CC1 1890041910 DDZHTKIRFVHTQI-UHFFFAOYSA-N 452.368 2.460 30 10 JEEE Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCC[C@@H](Oc4nccnc4C#N)C3)C2)cc1 1891998551 WNUCZXWZQRAIRL-RBUKOAKNSA-N 469.567 2.127 30 10 JEEE CC1=C(CO)C(=O)O[C@H]([C@H](CO)[C@@H]2CC[C@H]3[C@@H]4C[C@H](O)[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1 2037504643 UCOUIXCKSZUAKU-AYHWXQLGSA-N 488.621 2.309 30 10 JEEE CC(C)(C)OC(=O)N1CCN(CC2CN(c3ncccc3B3OC(C)(C)C(C)(C)O3)C2)CC1 2241124137 PSNRRYUYIWPRIQ-UHFFFAOYSA-N 458.412 2.370 30 10 JEEE CC1(C)OB(c2c[nH]nc2C(=O)N[C@@]2(C)CCN(C(=O)OCc3ccccc3)C2)OC1(C)C 2247823563 PRFIEDLESAJOLL-QHCPKHFHSA-N 454.336 2.240 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2255540360 MAFWQFWLKJGPJZ-XJKSGUPXSA-N 452.382 2.005 30 10 JEEE Cc1csc(CNC(=O)[C@H](CCO)NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2256677004 UGTURFLWDFWTNG-AWEZNQCLSA-N 454.398 2.248 30 10 JEEE CC(C)(C)OC(=O)N1CC(CCO)(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2267127508 JMPOFPWRSFHQBN-UHFFFAOYSA-N 466.409 2.397 30 10 JEEE CC(C)(C)OC(=O)NCCc1nc(=NC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)s[nH]1 2267149049 HPXWHXCEQMZXED-UHFFFAOYSA-N 481.409 2.035 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1 2267176781 FHJQRRYNEXRSEQ-IBGZPJMESA-N 482.390 2.498 30 10 JEEE CCON(CCNC(=O)OC(C)(C)C)S(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2267371357 YZIQSADSWHWRSO-UHFFFAOYSA-N 470.397 2.453 30 10 JEEE Cc1csc(C(=O)NC[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267536762 DXSAMFSGKOOKGL-QFIPXVFZSA-N 466.409 2.457 30 10 JEEE CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)cs1 2268635102 NLJFCNHOMJQXPS-HNNXBMFYSA-N 468.381 2.120 30 10 JEEE CO[C@H]1C[C@@H](C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)N(C(=O)OC(C)(C)C)C1 2268640739 JHFYFLZECITPER-ZFWWWQNUSA-N 467.397 2.083 30 10 JEEE Cn1nc(C(=O)N2CC[C@@H]3CCN(C(=O)OC(C)(C)C)[C@H]3C2)cc1B1OC(C)(C)C(C)(C)O1 2281960738 DQJNBPPVCCTUGG-WBVHZDCISA-N 460.384 2.191 30 10 JEEE CC(C)(C)OC(=O)NCCN1CCC(NC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)CC1 2282015833 PGYUZNYEQJAJPO-UHFFFAOYSA-N 480.440 2.161 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1(C)C 2282022443 TZLNAWQVTPTIHF-HOCLYGCPSA-N 460.384 2.445 30 10 JEEE COCC[C@@]1(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)CCN(C(=O)OC(C)(C)C)C1 2282193547 NDRNZRVLWAEHFQ-QHCPKHFHSA-N 463.384 2.460 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@H]1CC(C)(C)[C@H]1OCc1ccccc1 2282340652 IMDMTBNAJKBFFP-OALUTQOASA-N 475.420 2.382 30 10 JEEE C[C@@H]1CCN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C[C@H]1NC(=O)C(F)(F)F 2282496446 AXLXFRBOEOLMAS-TZMCWYRMSA-N 496.382 2.266 30 10 JEEE Cc1nc(S(=O)(=O)N(C)[C@H]2CC[C@H]2OCc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)n1C 2282506134 NSGJZLCROUAYNM-RBUKOAKNSA-N 475.420 2.396 30 10 JEEE Cn1ncc(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 2282534413 FYGOGWOPQCQLOM-HDEZJCGLSA-N 460.384 2.141 30 10 JEEE Cn1cc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)CC2(F)F)nc1B1OC(C)(C)C(C)(C)O1 2282550735 CPFFDESFJAWOIM-CQSZACIVSA-N 470.326 2.094 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2CCCCN(C(=O)OC(C)(C)C)C2)n1 2282552221 PDKNKXYYEKTSMD-INIZCTEOSA-N 462.400 2.486 30 10 JEEE CCc1nn(C)c(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)C2CC2)c1B1OC(C)(C)C(C)(C)O1 2282558225 HBWTXGCKACWECJ-MRXNPFEDSA-N 462.400 2.315 30 10 JEEE Cc1c(C(=O)NCCC2CC(NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282592892 JPUQENLSUNRBQV-UHFFFAOYSA-N 462.400 2.451 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(O)cc2O)C1 2282991819 KSMDWLLFPLDXRQ-CQSZACIVSA-N 462.352 2.384 30 10 JEEE COC[C@@]1(C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)CCN(C(=O)OC(C)(C)C)C1 2283957438 YEHMIAFDQIONEH-JOCHJYFZSA-N 481.424 2.332 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2[C@H](C1)OC[C@@H]2C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2284018499 OSROCEAVAWATBT-PMPSAXMXSA-N 459.352 2.201 30 10 JEEE CC1(C)OB(c2ccc(F)cc2C(=O)NCCN(CC(=O)O)Cc2ccccc2)OC1(C)C 2284471201 MNFZGZNWYJMFKD-UHFFFAOYSA-N 456.323 2.442 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H]3C[C@]3(CNC(=O)OC(C)(C)C)C2)n1 2288261572 UASQBMXMACUQDV-WNSKOXEYSA-N 460.384 2.189 30 10 JEEE C[C@@H]1CN(C(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)CC2(CN(C(=O)OC(C)(C)C)C2)O1 2288585618 GULUCZPTUQLBAL-OAHLLOKOSA-N 462.352 2.429 30 10 JEEE CCOc1ccc(C=Nn2c(SCC(N)=O)nnc2[C@@H]2CC(=O)N(C(C)C)C2)cc1OCC 2329013243 CLZOCEGRUPMUPH-MRXNPFEDSA-N 474.587 2.259 30 10 JEEE Cn1cnc(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 2362332509 PDGLSNZZIVWEBP-BZUAXINKSA-N 460.384 2.237 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C2)n1C 2362491824 HRCHMPYFHYSEHK-OAHLLOKOSA-N 462.400 2.403 30 10 JEEE O=C(O)CN1C(=O)/C(=C2/SC(=S)N(/N=C/c3cc([N+](=O)[O-])ccc3O)C2=O)c2ccccc21 2194509 IRLQCQHMGXKKFO-XQXVUASXSA-N 484.471 2.337 30 10 JEEE C#CCn1/c(=N/C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)sc2cc(C(=O)OC)ccc21 10187072 ZZQAMVHUDFTILH-XGNMISCSSA-N 489.600 2.465 30 10 JEEE COc1cc(C(=O)NCC(=O)O[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)cc(OC)c1OC 23400901 FRWMYRVFQKNRAA-LBPRGKRZSA-N 487.534 2.434 30 10 JEEE CCN1CCN(c2c(/C=C3\SC(=S)N(CCOC)C3=O)c(C)c(C#N)c(=O)n2CC)CC1 33479018 BIYPJNKHAXHIFA-AQTBWJFISA-N 475.640 2.038 30 10 JEEE CCC[C@H]1OC(C)=Cc2cc3c(c(O)c21)C(=O)C([C@@H]1OC[C@@H](O)[C@H](CO)O1)=C(CC(C)=O)C3=O 33753528 UYZRGLQTRZRYKC-FFUKXMTKSA-N 472.490 2.374 30 10 JEEE in-vitro CCN(CC)c1ccc(N2C(=NC(=O)CCCC(=O)O)S[C@H]3CS(=O)(=O)C[C@H]32)cc1 254901578 IPVLSJAUJHLJEC-SJORKVTESA-N 453.586 2.389 30 10 JEEE N#Cc1ccccc1S(=O)(=O)N1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2F)CC1 488918197 LQSXPIODDXIKPJ-UHFFFAOYSA-N 477.461 2.411 30 10 JEEE C#Cc1cccc(-n2c(=C(C#N)C(=O)C(C)C)sc(=Cc3cnn(-c4ccccc4)n3)c2=O)c1 726579689 BKUUVEGFNHNXGY-UHFFFAOYSA-N 465.538 2.189 30 10 JEEE Cc1cccc(-n2c(=C(C#N)C(=O)NCc3ccco3)sc(=Cc3cnn4ccccc34)c2=O)c1 729668666 OIWJZAIYLGKNHJ-UHFFFAOYSA-N 481.537 2.268 30 10 JEEE COc1ccc(C=NNc2nc(SCC(=O)NCc3ccco3)n[nH]2)cc1OCn1cccn1 1084349063 AWJOOCPJQRWHLH-UHFFFAOYSA-N 482.526 2.494 30 10 JEEE COc1ccc(O)c(C=NNc2nc(SCC(=O)NCc3cccc(OC)c3OC)n[nH]2)c1 1084406875 RVBIQUWFPDVJJZ-UHFFFAOYSA-N 472.527 2.391 30 10 JEEE COc1cc(C=NNc2nnc(SCC(=O)Nc3ccc(C)c(C)c3)n2N)cc([N+](=O)[O-])c1O 1084480674 ZPHGOFRFMPXYNL-UHFFFAOYSA-N 486.514 2.408 30 10 JEEE C#CCN(CC1CC1)C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1 1151196035 QRCNKBDRKDILLC-UHFFFAOYSA-N 459.612 2.295 30 10 JEEE C#CCN(c1nnc(C2CCC2)n1Cc1ccc(NC(=O)N(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 1286388958 DCLIBFBWACVVOF-HXUWFJFHSA-N 470.599 2.314 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1Cc1ccccc1Cn1cccn1)[C@H]1CCS(=O)(=O)C1 1286395665 SFMRRRCUYUEFFD-QFIPXVFZSA-N 466.611 2.396 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1CC1(NC(=O)OC(C)(C)C)COC1 1286414938 CKNQBCVTUMIZMB-UHFFFAOYSA-N 476.537 2.095 30 10 JEEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCCNc2ccc(C(F)(F)F)cn2)CC1 1286483484 NAFXIEASMZEKPA-UHFFFAOYSA-N 490.534 2.072 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC2(S(C)(=O)=O)CC2)CC1 1286487604 OXWNPVXKDRJVLT-UHFFFAOYSA-N 476.002 2.142 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCc2noc(CC)n2)CC1 1286493593 DZJPVYIPTYYASM-WIYYLYMNSA-N 483.617 2.351 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN1CCc2sccc2C1 1286519171 SIIZKRRGOZFPNS-IIBYNOLFSA-N 462.645 2.000 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2nc(C)cs2)CC1 1286548497 SUXGMWHLSXMQFV-MSOLQXFVSA-N 459.620 2.489 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1286672136 HJXVSOXTYBSXEM-RTWAWAEBSA-N 478.707 2.387 30 10 JEEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(Br)n1)C1CC1 1286732807 ZGCGFEJWCFLGNS-GFCCVEGCSA-N 455.382 2.249 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N(C)Cc1nc(O)c2ccccc2n1 1286820514 MQEMYGKRLXGBNR-SFHVURJKSA-N 472.571 2.406 30 10 JEEE C=CCSCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1286834171 BYHJJDPMAGKRBH-ZWKOTPCHSA-N 476.672 2.346 30 10 JEEE C=CCSCCn1c(N2CCN3CCOC[C@@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1286836026 FCXZSZDSONQUIT-OTWHNJEPSA-N 478.663 2.489 30 10 JEEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCn2cncn2)C[C@@H]1NC(=O)OC(C)(C)C 1291217626 FOTIEIXGHXSEEK-APWZRJJASA-N 463.546 2.458 30 10 JEEE CC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)NC)CC1)N1CCCC1 1292250401 AOSFDKLBEVVBSS-HXUWFJFHSA-N 466.590 2.065 30 10 JEEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2CC(F)(F)C2)C1 1296328357 BVCFGXBLAXWROQ-QGZVFWFLSA-N 450.515 2.380 30 10 JEEE CCOc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1CCNC(=O)c1cccs1 1296882769 HPHIUTHYQNYEMS-KRWDZBQOSA-N 482.566 2.476 30 10 JEEE CCS(=O)(=O)CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)C[C@@H](C)C#N 1297705650 FQOGFIYXHCRTGI-INIZCTEOSA-N 468.624 2.423 30 10 JEEE CO[C@@]1(C)CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC(F)(F)F)C1 1299770645 CFZMHFJGPAPKDS-FQEVSTJZSA-N 466.464 2.413 30 10 JEEE COc1ccc(CCn2c(-c3cnccn3)nnc2N2CCO[C@@H](C#N)C2)c(Cl)c1OC 1300146364 FWYRZADPEWSKJT-HNNXBMFYSA-N 455.906 2.377 30 10 JEEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCSC(C)C)[C@H]1CCS(=O)(=O)C1 1300481591 AXFSZPPWUXYDGV-SFHVURJKSA-N 496.680 2.117 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCc1nc(C)no1)[C@H]1CCS(=O)(=O)C1 1300504108 JUWGCZPMLQDGEL-NLWGTHIKSA-N 490.630 2.148 30 10 JEEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(C[S@@](C)=O)cc1 1300512718 SIFSJIYZJDJQNQ-GPNASLBKSA-N 454.596 2.318 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1300570058 XIYYSKFCGCWGIR-RUZDIDTESA-N 484.622 2.383 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@]1(O)CCO[C@@H]1C 1300665452 JOSRSSBPCQVPIU-KHCICDEESA-N 477.606 2.019 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(F)cc3Br)n2CC(=O)NC(C)C)CC1 1300691122 OXMTZUCYCNANHK-UHFFFAOYSA-N 463.355 2.127 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2CCCN(CC(C)C)C2)CC1 1300710804 LYKQRMGKRPRLHQ-VJBWXMMDSA-N 458.651 2.125 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CC2(C(N)=O)CCCC2)CC1 1300727394 ZJWJMGNSOLWSRX-UHFFFAOYSA-N 466.561 2.020 30 10 JEEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1300766547 FVZHQMPBSFEYAG-GOSISDBHSA-N 487.699 2.133 30 10 JEEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1300767171 SGBZSCYDMWRNFQ-UHFFFAOYSA-N 478.626 2.010 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CCCC(=O)NC 1300882495 VEGLEEVFFYEUCO-HTAPYJJXSA-N 479.585 2.136 30 10 JEEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1300950337 AFFGQSMPXGRFMN-NRFANRHFSA-N 454.600 2.340 30 10 JEEE C=C(Cl)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1301016682 BHBJVRDZWFDLQP-SFHVURJKSA-N 492.983 2.291 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1301496558 COVZPWZWVQLIHL-UHFFFAOYSA-N 452.950 2.326 30 10 JEEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN(C2CCC2)CC1 1301501488 YATDHIBQUZCWJK-UHFFFAOYSA-N 487.649 2.369 30 10 JEEE CC(=O)NC1CCC(N(C)c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC2CC2)CC1 1301807043 BSJXUUWEUJVGGH-UHFFFAOYSA-N 479.585 2.138 30 10 JEEE N#Cc1ccc(OCc2nnc(N3CCC([C@H]4CCOC4)CC3)n2CC(=O)NCC(F)F)cc1 1302993571 DVYDVQVLOMXXAL-SFHVURJKSA-N 474.512 2.363 30 10 JEEE Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 1309448411 GOGGOBFPRVJATR-UHFFFAOYSA-N 453.973 2.435 30 10 JEEE CCS(=O)(=O)NCCn1c(CC2CCCC2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1314556274 GIXOTYAREGRBDS-NRFANRHFSA-N 472.615 2.400 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@](C)(O)[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1358958875 XTTSCVGERPBZLC-YJLYGGOZSA-N 490.626 2.386 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@H](C)Oc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1358966459 PJJZNRZTBWCEEA-NHCUHLMSSA-N 482.610 2.234 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H]1CCCN1C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1358967727 QRWFZIJCGPTJFW-CEXWTWQISA-N 493.630 2.156 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(C)o2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1359020921 UXNUXCLVODZCBJ-GOSISDBHSA-N 450.547 2.433 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCC(F)(F)C2)n1 1359027314 DXSKCHVCPKQEMF-GOSISDBHSA-N 475.544 2.432 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 1359030506 XLMKGZIZCXAFLI-UXHICEINSA-N 476.622 2.157 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C3(c4ccccc4)CCC3)n2CCC(=O)N(C)C)CC1 1359041885 LKBSDNCNBHLNFT-UHFFFAOYSA-N 462.598 2.192 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)COC)CC1 1359093248 LJSKJICJGLFFEZ-KNQAVFIVSA-N 455.559 2.230 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccc2C)nnc1N1CCO[C@H](CNC(C)=O)C1 1359100493 CIPAPMGCEVHYIF-AKFKNWHVSA-N 453.587 2.500 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1nc(C(F)(F)F)cs1 1359121906 NRKIIEFVMAJHEH-LBPRGKRZSA-N 480.538 2.299 30 10 JEEE C=CC1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2C[C@H](F)CN2Cc2nccn2C)CC1 1359172762 HCGZIDAGFDSGKA-OALUTQOASA-N 458.586 2.165 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)c1ccccc1Cl)C1CC1 1359251681 RWZIMEHCEMUTLY-SIKLNZKXSA-N 496.033 2.327 30 10 JEEE CCc1nn(CC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)c(=O)c(C#N)c1CC 1458938282 CORPOJJKGUCAJF-UHFFFAOYSA-N 457.556 2.053 30 10 JEEE CC(C)N(C)S(=O)(=O)c1ccc(CNC(=O)N2CCN(c3ccc(C#N)nc3)CC2)cc1 1468208461 HUJQCDWIIHDTHH-UHFFFAOYSA-N 456.572 2.014 30 10 JEEE CCO[C@@]1(c2nnc(N3CCCN(c4ccccc4C#N)CC3)n2CCCC(=O)N(C)C)CCOC1 1502707534 DEVVDKXRMQKVGO-SANMLTNESA-N 495.628 2.387 30 10 JEEE CN(CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1)C1CCCCC1 1503597203 AUSQRNAUNLTTBE-LAUBAEHRSA-N 452.600 2.277 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1507514569 OKKWDVUOFQLHOM-AEFFLSMTSA-N 453.595 2.155 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H]1CCN(CC)C1)[C@@H]1CCS(=O)(=O)C1 1507622612 KEHMWRWKSXJPCQ-RBBKRZOGSA-N 498.653 2.116 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@@H](C)Cc1cccs1)[C@H]1CCS(=O)(=O)C1 1507629081 ZPJOLYFDALQTRL-YDHSSHFGSA-N 492.667 2.497 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1cccnc1OCCC)[C@@H]1CCS(=O)(=O)C1 1507636069 YCCQFUSHTCSDRB-OAQYLSRUSA-N 480.594 2.123 30 10 JEEE C#CCSCCn1c(C2CCC2)nnc1N1CCN(CC(=O)NCc2ccccc2)CC1 1507755296 SZJGSVUMEDXAMI-UHFFFAOYSA-N 452.628 2.350 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1507793924 CHCJSHRAIPEDOK-WDSOQIARSA-N 461.544 2.458 30 10 JEEE C=CCCOCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCOC[C@@H]1C 1507964304 ALOPKDRNLICODB-ROUUACIJSA-N 451.568 2.404 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@H]1C[C@@H](OCC)C1(C)C 1508083874 DIKHWJBJVKGHJY-RBUKOAKNSA-N 451.575 2.459 30 10 JEEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1508156432 XKRSEFWQGXGZKS-UHFFFAOYSA-N 450.572 2.080 30 10 JEEE Cc1nc(N2CCOCC2)sc1-c1nnc(N(C)[C@H](C)CC#N)n1CCCC(=O)NC1CC1 1510424874 CGSXGOHCVDULRV-OAHLLOKOSA-N 472.619 2.344 30 10 JEEE C#CCCCn1c(N2CCN(C(=O)c3ccc(O)cc3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1539139146 BYPYULMKGSOJBD-VWLOTQADSA-N 467.570 2.400 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1CC1(N(C)C)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1539211426 LOMMLJHRMHFMEC-LJQANCHMSA-N 456.616 2.231 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](c2ccco2)N2CCCCC2)CC1 1539467803 ZPQWBXVEYWJIQB-NRFANRHFSA-N 495.628 2.202 30 10 JEEE C#CCSCCn1c(-c2ccc(C)o2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1539499647 NQYWUCYXKALRAB-YLJYHZDGSA-N 456.616 2.202 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1539801418 AEGVJAQWFFPYLY-RTBURBONSA-N 451.015 2.448 30 10 JEEE CC(=O)N1CCN([C@@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCCOC(F)F)C[C@@H]2C)CC1 1541000913 HZEUPEYEFDZUDC-LAUBAEHRSA-N 487.555 2.435 30 10 JEEE CCOc1ncccc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1548009769 AASRZONTJRJEMD-OAQYLSRUSA-N 461.526 2.000 30 10 JEEE COCCCNC(=O)N1CCN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@@H]1C(=O)NC1CC1 1548369483 IXABVOFYIDSPAR-GOSISDBHSA-N 453.465 2.092 30 10 JEEE Cc1ccn(CC(=O)N2CC3(CCN(c4ccc(C#N)c(C(F)(F)F)c4)CC3)C[C@@H]2C(N)=O)n1 1548379753 HPJFDVFVFFYZPJ-LJQANCHMSA-N 474.487 2.455 30 10 JEEE CN(C)C(=O)[C@@H]1CN(S(C)(=O)=O)C[C@H]1C1CCN(c2ccc(C#N)c(C(F)(F)F)c2)CC1 1548397109 RITKOOVBRKFEKI-ZWKOTPCHSA-N 472.533 2.389 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCC(=O)Nc1cccc(Cl)c1C 1587561091 BASZUMQPXJODIV-HIFRSBDPSA-N 466.995 2.337 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1Cc1ccc(-c2nc[nH]n2)cc1)[C@@H]1CCS(=O)(=O)C1 1588028926 ARFFXYKUTQXGOJ-VQIMIIECSA-N 453.572 2.252 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H](CC)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1588044865 CDTXSKJPQIBQNF-RBUKOAKNSA-N 488.614 2.270 30 10 JEEE C#CCN(c1nnc(CN2CCCC2=O)n1CC(C)(C)c1cccs1)[C@H]1CCS(=O)(=O)C1 1588069709 SRUJDSUBOFCISR-KRWDZBQOSA-N 475.640 2.067 30 10 JEEE C#CCSCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1589110260 RYMSBZFNHZILBG-UHFFFAOYSA-N 470.643 2.051 30 10 JEEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1594522143 XUBKHSXMLMASJY-UHFFFAOYSA-N 466.652 2.253 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 1595555888 KJAPEXFVQVNMJN-LJQANCHMSA-N 481.557 2.264 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@@](C)(C(N)=O)C1 1595760125 KTPKDNKHVZMNNA-WZONZLPQSA-N 475.615 2.337 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](c2nc(C)no2)C1 1595773346 YKEBFJJURYXFEH-IBGZPJMESA-N 467.555 2.493 30 10 JEEE CC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCCO[C@H](C)C2)C1 1596421123 GWVIMIBUHGOIRQ-XXBNENTESA-N 465.602 2.423 30 10 JEEE CC(C)N1CCC(O)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](CC(N)=O)C2)CC1 1608059644 BNABMIQFFGPGCH-FQEVSTJZSA-N 465.602 2.144 30 10 JEEE C=CCCC(=O)[C@@H]1CCCN1C(=O)C[C@@H]1CS(=O)(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 1628637511 SGCOFSOAELGEJU-VXIBKDFQSA-N 454.589 2.183 30 10 JEEE C[C@H](NC(=O)N1CCN(c2cnccc2C#N)CC1)c1cc(F)ccc1N1CCN(C)CC1 1630827626 GRKTYMOOYUGACX-SFHVURJKSA-N 451.550 2.437 30 10 JEEE C=CC1(CC(=O)N[C@@H](Cc2ccccc2)C(=O)NCCN(C)C)CN(C(=O)OC(C)(C)C)C1 1636425688 WOZOLKQMSZDMOR-FQEVSTJZSA-N 458.603 2.205 30 10 JEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NN1C(=O)c2ccc(Br)cc2C1=O 1640127749 OHKRDZBMLKIBEZ-AWEZNQCLSA-N 450.289 2.383 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2ccccc2)CCC1 1689852656 IQJBNUGNOUSXOQ-UYAOXDASSA-N 457.600 2.191 30 10 JEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2ccc(F)c(F)c2)C1 1689929708 CMBRQLUSTPIVLS-APWZRJJASA-N 450.511 2.450 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1689993854 MQHXLIXJRSMNER-IEBWSBKVSA-N 479.647 2.360 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1cccnc1OC1CCCC1 1690092342 FBWHNYLQYDWVRO-UHFFFAOYSA-N 452.559 2.365 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H]1CCOC[C@@H]1OC 1690099628 FXBOHXSTYLCDPS-KNQAVFIVSA-N 450.543 2.268 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2CCCCN2CCOCC2)CC1 1690139853 BYIAWEUHNKVYQO-UHFFFAOYSA-N 450.587 2.023 30 10 JEEE C=C(Cl)Cn1c(N2CCC(CC(=O)N3CCN(CC)CC3)CC2)nnc1[C@@]1(OCC)CCOC1 1690358498 BXQYHCKMLRRHAM-XMMPIXPASA-N 495.068 2.453 30 10 JEEE C=CCC(C)(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(CCOC)CC1 1690424111 DHLGVRYRZACIGQ-UHFFFAOYSA-N 451.579 2.292 30 10 JEEE C=CCCCCn1c(-c2cnn(C)c2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1690459190 OWJBHJBBERAUBX-DENIHFKCSA-N 454.623 2.414 30 10 JEEE C=CCN(C)c1nnc(-c2ccccc2Br)n1CC1(O)CCS(=O)(=O)CC1 1690520878 HIHDOHFZSVVYOZ-UHFFFAOYSA-N 455.378 2.270 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1690660802 OOKLOTYSFSGLEK-YGKZAACZSA-N 459.522 2.244 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1690663382 VANDIXNIKLFYSX-MLGOLLRUSA-N 493.793 2.378 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCN(c2ccc(F)cn2)CC1 1690673074 NLCCTNFBPICCCE-UHFFFAOYSA-N 465.533 2.040 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCC(C)(C)C)C1 1690700442 SGORCNDPZWYNOQ-ROUUACIJSA-N 455.625 2.219 30 10 JEEE C[C@@](O)(Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1)c1ccccc1Cl 1692810254 BBRVGYVPHVDRQV-IIBYNOLFSA-N 463.991 2.481 30 10 JEEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC(C)(C)O1 1693783617 HVYCSZHSQYPHSB-SJLPKXTDSA-N 458.588 2.102 30 10 JEEE CCOC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2([S@](C)=O)CC2)C1 1695976989 DDBYHMGTNIDLMC-UPTQXZAWSA-N 456.572 2.443 30 10 JEEE CCOc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CC2(S(C)(=O)=O)CC2)cc1OC 1696116809 HSPNJRVAADJZQQ-FQEVSTJZSA-N 463.535 2.372 30 10 JEEE C#CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(CCOC)[C@H](C)C1 1705531712 TZFNJLBKSCJZFB-LJQANCHMSA-N 463.586 2.245 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1CCC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1705562895 MGMWWTVGBGLPBJ-INIZCTEOSA-N 466.991 2.395 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1nc(C(F)(F)F)cs1)[C@@H]1CCS(=O)(=O)C1 1705564900 FJNBTSXVQCZZHP-ZIAGYGMSSA-N 489.545 2.322 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1CC(=O)N1CCOCC1 1705589779 WAMNSXOEZNQEOX-FQEVSTJZSA-N 465.554 2.139 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCc1ccc(S(C)(=O)=O)cc1 1705590081 BCJBRCMYZMQHKS-RUZDIDTESA-N 484.622 2.428 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNc1ncc(Cl)cc1Cl 1705628827 QHVDFTQLGGULAO-CQSZACIVSA-N 487.413 2.080 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN1CCOC(C)(C)C1 1705670378 RLBJKASYUACSIQ-XMMPIXPASA-N 471.627 2.452 30 10 JEEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(F)c(OC)c2)CC1 1705747131 GJJUDJVFWCSUND-CQSZACIVSA-N 472.974 2.115 30 10 JEEE C=C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCN2CCOC[C@H]2C)CC1 1705764768 MQEVQDHTXFNIAP-LJQANCHMSA-N 474.631 2.073 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1705898614 RGQACNVKLJHDDG-GJZGRUSLSA-N 480.294 2.263 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@H](C)O[C@H](C)C1 1705928129 LTFNJWPJHPWCMU-HDICACEKSA-N 461.588 2.362 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1705932284 AMSPGLPZPANBJZ-UHFFFAOYSA-N 460.604 2.176 30 10 JEEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1705939607 HLRISDYRZQAOSW-INIZCTEOSA-N 493.634 2.145 30 10 JEEE N#Cc1ccc(-c2nnc(N3CCC(Cn4cccn4)CC3)n2CC(=O)NCC(F)F)cc1 1712878458 FMARFXPPDHGFHN-UHFFFAOYSA-N 454.485 2.311 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2CCCOC2)c1 1722307485 XBNCCLVMVKPBFT-QTEQDKRBSA-N 467.570 2.485 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H](C)CNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1722360049 CLDLNPBLKSUKLY-ZWKOTPCHSA-N 490.630 2.071 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1ccc(F)c(F)c1)[C@H]1CCS(=O)(=O)C1 1722365307 DBHUEIJQDOQQAM-QFBILLFUSA-N 450.511 2.473 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2Cc2cccc(Br)n2)CC1 1722448629 WNAAZCRHUPCBHE-KRWDZBQOSA-N 487.402 2.344 30 10 JEEE C#CCSCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)[C@H](C)CC(N)=O 1722459431 KBVBFVGZJVYOHF-MRXNPFEDSA-N 464.636 2.459 30 10 JEEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2ccc(F)cn2)CC1 1722462846 SQLQSTUBEUHWIC-UHFFFAOYSA-N 485.614 2.497 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccc(OCC)c1 1722475615 WCUYIILGPFAAPL-ZJSXRUAMSA-N 487.626 2.245 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C)cc2)CC1 1722537345 MYOPVNMHSNICBD-FQEVSTJZSA-N 459.616 2.408 30 10 JEEE C=CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1722614475 OPAOIBJWNAKRGL-INIZCTEOSA-N 456.572 2.264 30 10 JEEE CCN1CCN([C@H](C)Cn2c(-c3ccc4c(c3)OCCO4)nnc2N(C)C[C@@H](C)C#N)CC1 1728602964 HGOBANLYBXZSFV-RBUKOAKNSA-N 453.591 2.338 30 10 JEEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1CCNc1nccc(C(F)(F)F)n1 1740612872 LIOPNVDRONLLCZ-UHFFFAOYSA-N 464.477 2.260 30 10 JEEE C#CCN(C)c1nnc(COc2ccc(OC)cc2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1740614328 NHWWACFLASSWKW-SFHVURJKSA-N 462.558 2.436 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC[C@H]1CCc2ccccc21)[C@@H]1CCS(=O)(=O)C1 1740616334 YZXLBNUPZBCTIS-WOJBJXKFSA-N 469.611 2.163 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(OC)nc1)[C@@H]1CCS(=O)(=O)C1 1740621594 XMIMEGPWPDLGRT-QGZVFWFLSA-N 472.958 2.072 30 10 JEEE C#CCN(c1nnc(C2CCCC2)n1Cc1ccc(OC)nc1OC)[C@@H]1CCS(=O)(=O)C1 1740623235 QGLPGOKNMWQXOD-GOSISDBHSA-N 459.572 2.023 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1CC(F)(F)Br)[C@H]1CCS(=O)(=O)C1 1740625808 QAHREWAJEUNYEI-ZDUSSCGKSA-N 494.387 2.248 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(Br)s1 1740640325 KSUNRBDMTKEYIK-CQSZACIVSA-N 467.414 2.320 30 10 JEEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1740679759 JHIUDOMTQPQAAF-JYJNAYRXSA-N 465.542 2.343 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccn3)n2C[C@@H]2CC(F)(F)CO2)n1 1740689121 PDSCKBINPFRUGY-SFHVURJKSA-N 457.485 2.247 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2CCCN2CCCO[C@@H](C)C2)CC1 1740697254 XNLCILFIDRLTDB-QHCPKHFHSA-N 450.631 2.433 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2=CCCOC2)CC1 1740703077 FQOGPQUXBPRREX-UHFFFAOYSA-N 450.499 2.166 30 10 JEEE C=CCNC(=O)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1740962338 ATLJGJDCYBFTGD-GOSISDBHSA-N 463.586 2.395 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1740966586 UJJMAGIOVVJJSB-BFYDXBDKSA-N 486.539 2.004 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccn3C)n2Cc2cccc(S(=O)(=O)NC)c2)C1 1740976216 HSGPEASNLPTFND-GOSISDBHSA-N 456.572 2.021 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCc2ccc(OC)cc2)nnc1N1CCO[C@H](C(F)(F)F)C1 1740993645 BDCMGEQWJCACOJ-SFHVURJKSA-N 488.532 2.440 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1coc(-c2ccccc2)n1 1741924706 DBEHRUATXNYQMF-VLIAUNLRSA-N 459.507 2.034 30 10 JEEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nncn2C)C[C@@H]1NC(=O)OC(C)(C)C 1743243599 CLTICNZYNZBXMK-QAPCUYQASA-N 463.546 2.343 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@@H](OC)C(C)C 1744084322 AYKNGRZRMNEIAA-HXUWFJFHSA-N 485.637 2.108 30 10 JEEE CCN(CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1)CCC(F)(F)F 1746317149 GSWDTRJNZXHMHU-GOSISDBHSA-N 476.507 2.305 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccccc1CN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1748801719 DXSQNUDCXLODRK-JOCHJYFZSA-N 485.654 2.083 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@H](C)COC)[C@H]1CCS(=O)(=O)C1 1748805131 OVEDXBIFMCDTIJ-AOIWGVFYSA-N 464.563 2.466 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@](C)(O)CCC(C)C)[C@@H]1CCS(=O)(=O)C1 1748814220 BEVQBSMGRFKXIJ-DXIQSLLYSA-N 452.621 2.334 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1CCN(Cc2cccs2)CC1 1748845847 BHUHUCWTVGMWDC-FQEVSTJZSA-N 471.652 2.227 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@H]1CCS(=O)(=O)C1 1748960380 JJBJGHYNOXVXCR-QGZVFWFLSA-N 455.540 2.121 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@]1(O)CCN(C)C1 1749536375 JCKLJFOOZGMHTR-HWBMXIPRSA-N 466.586 2.133 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)C[C@H]1CCCOC1 1749730407 CHYSUAGAUZGSKN-MRXNPFEDSA-N 472.571 2.058 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1749730434 DQKZISFVISZCLM-UHFFFAOYSA-N 471.543 2.109 30 10 JEEE C#CCCCCn1c(Cc2cccnc2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1760140194 FGJASVGQMSSHPK-ZJSXRUAMSA-N 463.630 2.446 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@](C)(OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1760180195 AATYSTYPRAGFMZ-DVECYGJZSA-N 488.610 2.404 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@](C)(O)c1ccsc1)[C@@H]1CCS(=O)(=O)C1 1760190348 PFWJYSCOEGCUDF-NQIIRXRSSA-N 491.664 2.230 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1CCN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1760191791 NHSOBMCBBVBFQA-OAQYLSRUSA-N 471.627 2.278 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1760200107 UNGKMCWRJDDTCT-FCHUYYIVSA-N 462.579 2.094 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@]2(O)CCC[C@@H]2C)CC1 1760254664 FOIOOBUGWIFMNQ-AVRWGWEMSA-N 469.586 2.277 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@H]2CCOC[C@H]2OC)CC1 1760271267 RZOVHUGHWFKTOH-ISKFKSNPSA-N 495.624 2.089 30 10 JEEE C=CC[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(OCC(N)=O)CC1)c1ccccc1 1760418116 MUWZECVOTMOGEG-ICSRJNTNSA-N 452.559 2.060 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](CNC(C)=O)C1 1760532974 KQHOBUSORWWOCO-QUCCMNQESA-N 452.559 2.195 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@H]1CCC[C@@H](O)C1 1761236298 CLMOUXRECMENBY-FCHUYYIVSA-N 465.602 2.161 30 10 JEEE CCc1ccccc1OCc1nnc(N2CC[C@](F)(C#N)C2)n1CCS(=O)(=O)NC(C)C 1762661199 ATBGNQZJMPZANX-NRFANRHFSA-N 464.567 2.189 30 10 JEEE CCC[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1763751820 DYSANBQGCFKEIR-YADARESESA-N 467.574 2.320 30 10 JEEE COCCN(C)CCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@](C)(C#N)C1 1771074831 HEOAIROXMLWUBQ-HSZRJFAPSA-N 474.631 2.447 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)COc3cccnc3NC(=O)N[C@@H](CC)C(=O)O)cc21 1858806903 GITJYBOMBVFNLF-HNNXBMFYSA-N 468.466 2.239 30 10 JEEE O=C(C1=C(O)C(=O)N(CCCO)[C@H]1c1ccc2c(c1)OCCO2)c1ccc2c(c1)OCCO2 1862610292 HHVCSLRMFYKWEU-NRFANRHFSA-N 453.447 2.190 30 10 JEEE C=CCn1cc(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c(=O)cc1CN1CCC2(CC1)OCCO2 1870397684 OPKIRZXGOVBFML-UHFFFAOYSA-N 484.509 2.299 30 10 JEEE C=CCn1cc(OCC(=O)NCc2ccccc2Cl)c(=O)cc1CN1CCC(C(N)=O)CC1 1870653792 WHZWNYPMZXMYKQ-UHFFFAOYSA-N 472.973 2.080 30 10 JEEE C=CCN(CC=C)c1nc(=NCCO)nc(Nc2ccc(I)cc2)[nH]1 1871705577 CBAALWUMWRJNKN-UHFFFAOYSA-N 452.300 2.224 30 10 JEEE CN(C)CC#C[C@H]1CCCN1C(=O)[C@H]1CCCN1S(=O)(=O)c1cccc(C(F)(F)F)c1 1890984199 HQWJRJPGHKWPIE-PKOBYXMFSA-N 457.518 2.415 30 10 JEEE N#Cc1ccnc(OC[C@H]2CCCN(C(=O)CNS(=O)(=O)c3ccc(Br)cc3)C2)c1 1892034623 GTRBDYHMUIGFAU-INIZCTEOSA-N 493.383 2.312 30 10 JEEE CC(C)CS(=O)(=O)C1CN(C(=O)[C@H]2SCC(=O)N(C(C)C)[C@H]2c2ccc(C#N)cc2)C1 1892106697 JZTOYPOGHBHJKA-SFTDATJTSA-N 463.625 2.233 30 10 JEEE CC(C)(C)OC(=O)N[C@H](C(=O)NCc1cccc(B2OC(C)(C)C(C)(C)O2)c1)C1(O)CCC1 2188009230 KMBRMAKUXVZLOI-GOSISDBHSA-N 460.380 2.410 30 10 JEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC1(CO)CN(C(=O)OC(C)(C)C)C1 2255826840 DMPPGOYBUMPGNF-UHFFFAOYSA-N 452.382 2.067 30 10 JEEE Cc1nn(C)c(C(=O)N[C@@H]2CC[C@@H]2NC(=O)OCc2ccccc2)c1B1OC(C)(C)C(C)(C)O1 2255827715 LSPINTUERZFNTG-MSOLQXFVSA-N 468.363 2.215 30 10 JEEE CC(C)(C)OC(=O)NCCCCNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2255933126 LDRLAGZZYQMXQN-UHFFFAOYSA-N 475.442 2.167 30 10 JEEE C=C(CS(=O)(=O)NC[C@@H]1C[C@H](OC)CN1C(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2255955969 WPLDTFFJBOSTNX-HOTGVXAUSA-N 460.402 2.118 30 10 JEEE CN(Cc1csc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C 2256670154 AVMNUHKQFDZKGA-HNNXBMFYSA-N 454.398 2.281 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)sc1CNC(=O)[C@@H](CO)CNC(=O)OC(C)(C)C 2256674024 HHGYKAPMMYVSOW-CQSZACIVSA-N 454.398 2.105 30 10 JEEE C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CN(C(=O)c2occc2B2OC(C)(C)C(C)(C)O2)CCO1 2267181936 ZNCOUZGKIVBPET-GDBMZVCRSA-N 450.341 2.333 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(CNC(=O)C2(CO)CN(C(=O)OC(C)(C)C)C2)s1 2268641073 LNSZXTKYDBIWOM-UHFFFAOYSA-N 466.409 2.201 30 10 JEEE C[C@H](C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)s1)N1CC(NC(=O)OC(C)(C)C)C1 2268716586 FTCVZMQPHXWOFG-CQSZACIVSA-N 465.425 2.261 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)CC[C@@H]1C(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)cs1 2268717651 MKMIOMFZRFXHGQ-DOTOQJQBSA-N 466.409 2.424 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H](NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)C[C@H]2C1 2281978885 JYRZWNQDZQYWPD-HRCADAONSA-N 460.384 2.474 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H]2OCCN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)sn3)[C@@H]2C1 2281993830 GZLNRYMMCDYDKV-HZPDHXFCSA-N 479.408 2.293 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CC(F)(F)C1 2282022686 VMAAZHRNNBNUIK-AWEZNQCLSA-N 468.310 2.150 30 10 JEEE COCC[C@H](CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1F)NC(=O)OC(C)(C)C 2282041488 XQSPYNHNTXWBOC-OAHLLOKOSA-N 467.347 2.180 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CNS(=O)(=O)c3ccccc3B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2282345381 GVUYHYWDMWMIPF-OSYLJGHBSA-N 478.420 2.377 30 10 JEEE Cn1cc(C(=O)N2CC[C@@H](C3CN(C(=O)OC(C)(C)C)C3)C2)nc1B1OC(C)(C)C(C)(C)O1 2282553219 WHHNEFINHFDKPF-OAHLLOKOSA-N 460.384 2.048 30 10 JEEE Cn1nc(C(=O)N2CC[C@]23C[C@@H](CNC(=O)OC(C)(C)C)C3)cc1B1OC(C)(C)C(C)(C)O1 2282618226 LKQSVGBGUAEPOH-CWSKOGRWSA-N 460.384 2.239 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1C[C@H](NC(=O)OC(C)(C)C)[C@@H](OC)C1 2282667253 PMVBLEIINWUJOZ-WMZOPIPTSA-N 463.384 2.171 30 10 JEEE COc1cc(CNC(=O)[C@H](CNC(=O)OC(C)(C)C)OC)ccc1B1OC(C)(C)C(C)(C)O1 2289459094 IYRHBFSXOSHIEN-SFHVURJKSA-N 464.368 2.150 30 10 JEEE CC(C)(C)OC(=O)N1CCN(c2ncc(Cl)cc2B2OC(C)(C)C(C)(C)O2)[C@H](CO)C1 2317238183 UVLDEESIOUFJJP-HNNXBMFYSA-N 453.776 2.452 30 10 JEEE Cc1ccc(C=NNc2nc3c(c(O)nc(=O)n3C)n2C[C@H](O)COc2ccc(C)cc2)cc1 2327754179 SLZBLIHINBGSOV-SFHVURJKSA-N 462.510 2.338 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N=[S@@](C)(=O)CCCCNC(=O)OC(C)(C)C 2362357015 LAMXPRZAASZEFI-XIFFEERXSA-N 484.428 2.262 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)NCCOC1CN(C(=O)OC(C)(C)C)C1 2362411460 GNPXEBNSNJUMKN-UHFFFAOYSA-N 461.368 2.055 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)[C@@H]2CCC[C@@H]21 2367687282 QDWNVFATYRZHNF-CVEARBPZSA-N 458.368 2.390 30 10 JEEE N#C[C@H]1C(=O)Nc2nc(N3CCC(C(N)=O)CC3)[nH]c(=O)c2[C@H]1c1cccc(Oc2ccccc2)c1 72443813 PLVXLDRQJDUECP-UXHICEINSA-N 484.516 2.488 30 10 JEEE COCCOc1ccc(Br)cc1C(=O)NC(=S)N1CCN(CCC#N)CC1 100435700 JEPVFYQKYNDDPK-UHFFFAOYSA-N 455.378 2.020 30 10 JEEE Cc1cc(C)c(C#N)c(SC2=C(N3CCN(CCO)CC3)C(=O)N(c3ccc(F)cc3)C2=O)n1 526694558 OSGKLDNCZLEHKQ-UHFFFAOYSA-N 481.553 2.196 30 10 JEEE C#CCN(C(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1)[C@@H]1CCS(=O)(=O)C1 729330713 DBCFRFQLFSCXNO-HXUWFJFHSA-N 460.577 2.083 30 10 JEEE C#CCN(C)CCCNC(=O)[C@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 757400392 OOVTUXAOZYWSBU-QHCPKHFHSA-N 463.534 2.440 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2ccsc2)c1 1286309259 PPMWIPDMYBLGKV-MRXNPFEDSA-N 486.623 2.249 30 10 JEEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](CNC(C)=O)C1 1286351185 BMJLNHFRANWTNJ-VQTJNVASSA-N 474.606 2.352 30 10 JEEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(F)cc1F)[C@H]1CCS(=O)(=O)C1 1286380227 BIAWPNNVHSPYCH-WMZHIEFXSA-N 494.564 2.272 30 10 JEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1ccc(N(CC)CC)cc1)[C@H]1CCS(=O)(=O)C1 1286383654 YOKVAZXARDFCJE-QFIPXVFZSA-N 498.653 2.035 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1C[C@H](CC)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1286393592 QVXAYFHXPDIQBM-ZWKOTPCHSA-N 465.620 2.161 30 10 JEEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1CCC1(C)CC1)[C@H]1CCS(=O)(=O)C1 1286397967 VSYSBRUTBHTWKQ-INIZCTEOSA-N 461.613 2.087 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCc2ccccc2OC)CC1 1286473425 SEYSBJIZJUQGGB-VWLOTQADSA-N 453.587 2.325 30 10 JEEE C#CCN1CCN(c2nnc(-c3nn(CCC)c(=O)c4ccccc34)n2CC(C)(C)OC)CC1 1286480511 YKQGNXINRMIHIZ-UHFFFAOYSA-N 463.586 2.245 30 10 JEEE C#CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1286499637 NKSCSAVQYAWQAW-LSDHHAIUSA-N 450.586 2.298 30 10 JEEE C=C(C)COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1286603948 CKLSSNPDQCZCKP-SFHVURJKSA-N 455.519 2.486 30 10 JEEE C=CCC(C)(C)Cn1c(N2CCN(c3ncccc3C(N)=O)CC2)nnc1[C@]1(OCC)CCOC1 1286676151 IGKKQLHJELLOKH-VWLOTQADSA-N 483.617 2.353 30 10 JEEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCN(c2ncccc2C#N)CC1 1286792271 SQBJUTJOBOTJLH-UHFFFAOYSA-N 472.553 2.061 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CC[C@H](OCc2ccccc2)C1 1286818480 JEMXZMRIKMTSND-FQEVSTJZSA-N 456.572 2.075 30 10 JEEE CCC[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1293833654 FPQJUBBCJWCSAG-XMSQKQJNSA-N 461.588 2.293 30 10 JEEE CCC[C@@H](C)C(=O)NCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1293861613 FLXRYNDCSMLFOJ-XLIONFOSSA-N 496.591 2.119 30 10 JEEE CCCn1nc(-c2nnc(N(C)[C@H](C)CC#N)n2C[C@@H]2COCCO2)c2ccccc2c1=O 1294763144 BGYUCSHQKOPEPX-IAGOWNOFSA-N 451.531 2.219 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](Cc2ccc(C#N)cc2)C1 1300411510 SRPINLAWJNAKBB-GOTSBHOMSA-N 496.637 2.355 30 10 JEEE C#CCN(c1nnc(COc2ccccc2OC)n1CC1(C)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1300504841 UKMVYMXESMHAAV-LJQANCHMSA-N 488.610 2.309 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)(C)c1cccc(OC)c1 1300556063 BJHCROWJYPVUGK-GOSISDBHSA-N 457.600 2.338 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC1(S(C)(=O)=O)CC1 1300619423 XOOGTFHKNSEICW-UHFFFAOYSA-N 468.583 2.102 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccccc2F)nnc1N1CCN(CCOC)C(=O)C1 1300898075 WBKLMNQXDZNVNH-FDDCHVKYSA-N 473.549 2.272 30 10 JEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2cccc(F)c2)C1 1301223167 OHKFPINAAZIYLU-PMACEKPBSA-N 479.578 2.294 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC(c2cnn(C)c2)CC1 1301483560 QTOYNNMRHZYZAT-UHFFFAOYSA-N 495.584 2.391 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 1301586890 VFXRHINNBYYLBL-IEBWSBKVSA-N 489.573 2.068 30 10 JEEE C=CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1301602679 URHUMKWBMVFJQH-INIZCTEOSA-N 481.644 2.352 30 10 JEEE CCc1cnc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)s1 1305994472 DFHSUELIKOVRHE-NRFANRHFSA-N 472.596 2.022 30 10 JEEE C#CCN(C)c1nnc(-c2cc(C)nc3ccccc23)n1CCS(=O)(=O)N1CCSCC1 1358941015 VJVQQZIHLHKYSK-UHFFFAOYSA-N 470.624 2.250 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1359028132 ICVINXSPAYISGG-JOCHJYFZSA-N 477.613 2.161 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H](OCC)c2ccccc2)CC1 1359031302 XDWKNQDRTLGKNV-DHLKQENFSA-N 453.587 2.463 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@]2(O)CCO[C@@H]2C)CC1 1359045593 MXXAJZYUVCDZEF-MZNJEOGPSA-N 471.989 2.028 30 10 JEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C)C1CC1 1359251845 XBVXEYWHJVAVQM-FUHWJXTLSA-N 498.650 2.021 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1)C(C)C 1359265377 DRMAPZHJJMEQKB-ZJSXRUAMSA-N 487.674 2.392 30 10 JEEE C=CCn1c(CC(C)(C)C)nnc1N1C[C@@H]2[C@H](C1)[C@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1359287935 GXULMEJQWBMMJH-BZUAXINKSA-N 453.609 2.179 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N(C)CCN1CCOC(C)(C)C1 1359295734 MBKZXJORNOAWKF-UHFFFAOYSA-N 477.009 2.456 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CCC)Cc1ccc(F)cc1F 1359301081 RFFFRIKHPOHTKI-MRXNPFEDSA-N 467.542 2.177 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@](C)(C#N)C1 1359330922 HCXPHIKDYLZLDS-JOCHJYFZSA-N 467.555 2.325 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 1359333967 PKOAWOLFTKXXNI-IBGZPJMESA-N 490.630 2.310 30 10 JEEE CC(C)CCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1C[C@@]1(N2CCOCC2)CCSC1 1359929441 GGJXNIIVPCVZKS-XXBNENTESA-N 475.663 2.203 30 10 JEEE C#C[C@H](NC(=O)N1CCN(c2ncnc3c2cnn3C)CC1)c1ccc(Br)cc1 1470662583 GKPNSRAKBOSFHV-KRWDZBQOSA-N 454.332 2.332 30 10 JEEE CCc1nc(CN(C)c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)N(C)C)cs1 1498385502 DBSNDYJZPRNBAH-UHFFFAOYSA-N 459.601 2.363 30 10 JEEE CN(C)S(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](OCC2CC2)C1 1503406194 DPLOPFMAYIRTHJ-HXUWFJFHSA-N 458.588 2.104 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@@H]1CCO[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1507634528 KVGNAOJEROTTMD-ZVDOUQERSA-N 472.611 2.319 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](c1ccccc1)N1CCCC1 1507660719 YJELNLNRMDHAEI-IFMALSPDSA-N 468.627 2.188 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H](C)N1CCN(CC)CC1 1507665337 VVSFEZQOVKLDGE-OAQYLSRUSA-N 464.614 2.451 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCS(=O)(=O)CC2CC2)CC1 1507721715 LLEHKQHOTGPWEF-SFHVURJKSA-N 475.590 2.137 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCOC2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1507796958 JZFGNJKHJULIIE-ONUIULTDSA-N 461.607 2.131 30 10 JEEE C=C(Cl)Cn1c([C@H]2CCCO2)nnc1N1C[C@@H]2[C@@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1507875094 ZMSUSAADYCGMGR-QXSJWSMHSA-N 488.010 2.009 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1507914079 HYDAQLAMTWSELC-GOSISDBHSA-N 492.694 2.163 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC(CC(=O)NC)CC1 1508076680 VCTIDAVTYUAQOD-MRXNPFEDSA-N 458.538 2.212 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(OC)c(OC)c2OC)C1 1508126261 UBLSZAUFAGYIAA-DLBZAZTESA-N 457.531 2.085 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCN(C(C)=O)CC2)nnc1C1(c2ccccc2)CCC1 1508148095 FZLFUEJCZFVBMK-UHFFFAOYSA-N 457.600 2.017 30 10 JEEE C=CCSCCn1c(-c2ccccn2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1508153695 OXWQIZUNOSIQTB-NRFANRHFSA-N 471.675 2.491 30 10 JEEE Cc1cnn(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCCC[C@H](S(C)(=O)=O)C2)c1 1511418691 HHHUIDDMCVJZDX-NRFANRHFSA-N 483.598 2.337 30 10 JEEE CCO[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN(C)S(=O)(=O)CC)C1 1516404629 ALAPGGYISQQGNV-FQEVSTJZSA-N 460.604 2.494 30 10 JEEE CO[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1)C(C)(C)C 1517795608 GLJDVAATHYZYIW-IBGZPJMESA-N 466.590 2.168 30 10 JEEE C#CCCCn1c(CCOc2ccccc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1539132444 KYIOKOOCAOWZFK-JOCHJYFZSA-N 450.587 2.056 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2C[C@](C)(O)C(C)C)CC1 1539481462 AFRCMNHQIGOCBY-VWLOTQADSA-N 453.587 2.250 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CCOc2ccc(Cl)cn2)CC1 1539484371 MUPIPIXSTUVYRX-UHFFFAOYSA-N 479.972 2.357 30 10 JEEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1539743181 YDIWQBIDSITCLO-UHFFFAOYSA-N 456.639 2.266 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@](C)(O)c2ccccc2Cl)CC1 1539849506 XSWDARQMAVHUSL-SIKLNZKXSA-N 496.033 2.329 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCc2nccs2)CC1 1539890880 VBSFOZIKCDPGBF-QGZVFWFLSA-N 466.633 2.103 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(c2ccc(C)cc2)C(=O)C1 1540864310 VYRWMGPKUVLWJW-UHFFFAOYSA-N 498.385 2.500 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 1540901749 NTDARNSYHYMPAI-GOSISDBHSA-N 462.551 2.296 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCC(C(=O)NC)CC2)nnc1C1(c2ccccc2)CCC1 1540908399 GFEDAZBXMJLQTH-UHFFFAOYSA-N 471.627 2.311 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc(Br)s2)n1CC1(O)CCS(=O)(=O)CC1 1541106926 CXCQMJQZZPHTOJ-LBPRGKRZSA-N 488.433 2.305 30 10 JEEE CCN(C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2cccn2)CC1)S(C)(=O)=O 1547389703 ASPFBPGYSNSLJJ-UHFFFAOYSA-N 482.614 2.354 30 10 JEEE CN(C[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCCO2)C1)S(C)(=O)=O 1554228770 GADAHJFGUOXMEB-PZJWPPBQSA-N 472.615 2.494 30 10 JEEE CO[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1554607302 FSLAEVWGLFIWHK-LJQANCHMSA-N 462.558 2.497 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2CC2(O)CCN(C(C)C)CC2)c1 1587693380 RWAHUQJLKYNAAI-NRFANRHFSA-N 480.613 2.074 30 10 JEEE C#CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1587835160 NQWVLPZKZUESMS-GOSISDBHSA-N 466.586 2.165 30 10 JEEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1cccc(OC)c1)N1CCCC1 1587989732 NWTIEQNIVHRMAW-TZIWHRDSSA-N 457.600 2.095 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2cccc(C(F)(F)F)n2)CC1 1588864636 IECVKIJQQNYXQK-UHFFFAOYSA-N 489.527 2.487 30 10 JEEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1588864763 JXXIRRZNZMJOCP-NRFANRHFSA-N 450.587 2.144 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccnc2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1589516320 ZJFZNXUYOOFFAB-GIVPXCGWSA-N 474.631 2.429 30 10 JEEE C=CCC(C)(C)Cn1c(N2CCN(C(=O)C(=O)NC(C)C)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1594529084 PQJCZZTYYVEYML-RUZDIDTESA-N 490.649 2.094 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCc2c(ccnc2O)C1 1595805774 UNYVJQZNHHXSEJ-UHFFFAOYSA-N 453.568 2.441 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC(C(=O)Nc2ccc(C)cn2)CC1 1595831947 ZWRLDFPSSNSFPS-LJQANCHMSA-N 488.614 2.289 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@H](c1ccsc1)N(C)C 1611683851 AQSSUTUNPFBPGG-CRAIPNDOSA-N 465.649 2.383 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@H](OC)C(C)C 1613585517 IFAWUIOGZHNQDC-FQEVSTJZSA-N 468.606 2.461 30 10 JEEE CCOC(=O)[C@H]1S/C(=N/C(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)N(C)[C@H]1C 1613895718 JIULWLRYRVTVIP-SRZAMNOZSA-N 459.615 2.030 30 10 JEEE CN(C)C(=O)COc1cccc(Cn2c(-c3cnccn3)nnc2N2CCC(CC#N)CC2)c1 1617624980 IBXOFKSSUIFYKR-UHFFFAOYSA-N 460.542 2.380 30 10 JEEE CO[C@@H]1COCC[C@@H]1Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCO[C@H](C#N)C1 1619540936 DNKBELIERIDAHJ-VAMGGRTRSA-N 490.605 2.173 30 10 JEEE CS(=O)(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CSCCS2)CC1 1620171428 ARCRBFCQVCOGKF-SFHVURJKSA-N 478.669 2.183 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)s1 1631380984 RUFGFHNNFUQYAX-UHFFFAOYSA-N 453.561 2.251 30 10 JEEE C#CCn1cc(CNC(=O)[C@@H](CCS(C)(=O)=O)Cc2cccc(Br)c2)cn1 1634635497 HSTLXUMFZUOTCH-KRWDZBQOSA-N 452.374 2.189 30 10 JEEE N#Cc1ccc(Br)cc1S(=O)(=O)N1CCN(C(=O)c2ccccc2O)CC1 1661749172 DBOQQMOEEYOSPB-UHFFFAOYSA-N 450.314 2.173 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccc3ccccc3n2)n1CCS(=O)(=O)N1CCSCC1 1689841501 HSHNQWVBCULJFQ-KRWDZBQOSA-N 470.624 2.330 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](c2nc(CC)cs2)C1 1689930326 PHUKTMNMDUFMID-IEBWSBKVSA-N 492.671 2.427 30 10 JEEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1ccc(N2CCOCC2)cc1)[C@@H]1CCS(=O)(=O)C1 1689980032 KMMFTRYRPVOTSS-SIKLNZKXSA-N 471.627 2.303 30 10 JEEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CCCc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1689982957 XTWGNNQDQNEEAP-XUZZJYLKSA-N 490.601 2.329 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCCCN1CC)[C@@H]1CCS(=O)(=O)C1 1689983429 BKXBMZPGRWOQCH-RBUKOAKNSA-N 477.034 2.495 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H](C)Oc1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1689998254 GXJKILCXBGBLFH-DBXWQHBBSA-N 474.583 2.232 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCOc1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 1689998671 SOQDJYOWTOABMP-QFBILLFUSA-N 464.975 2.489 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2ccccc2F)n1CCN1CCCS1(=O)=O 1690032411 AWCUYQROEMYERZ-GOSISDBHSA-N 459.547 2.056 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCSCC(C)C)CC1 1690117601 OCAHKWHIKJDKDA-UHFFFAOYSA-N 451.604 2.065 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2Cc2cc(C)on2)CC1 1690124847 VRIMWKZLQSMFDE-LJQANCHMSA-N 469.590 2.493 30 10 JEEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1690228251 RCVGFEOAMNBAMC-KRWDZBQOSA-N 492.422 2.461 30 10 JEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@](C)(O)c2cc(C)oc2C)CC1 1690397047 UICFGDADRUQMOI-VFNWGFHPSA-N 451.593 2.408 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C)N1CCN(CC)CC1 1690559423 FUVDIHGUIDFJMK-OFNKIYASSA-N 476.629 2.319 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1690667713 FGFGELRSZLBTIO-SJLPKXTDSA-N 455.563 2.382 30 10 JEEE C=CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC(=O)N(C)C[C@@H]1C 1690741944 BQOAHWNSGUDIIF-INIZCTEOSA-N 467.599 2.261 30 10 JEEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 1690742318 MOARGDSGQIQJDI-IBGZPJMESA-N 472.590 2.179 30 10 JEEE CO[C@@](C)(Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1)C1CC1 1697097981 FJEVWNTUKCEWNM-QHCPKHFHSA-N 472.615 2.492 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1705494556 BXPUIKDZNBOKAH-JQVVWYNYSA-N 466.586 2.191 30 10 JEEE C#CCN(c1nnc(-c2cccc(Br)c2)n1Cc1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 1705561575 RKSIYEXLURHDDM-GOSISDBHSA-N 489.399 2.116 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H](C)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1705563176 RXIGMHMLWFSWED-WIYYLYMNSA-N 454.600 2.174 30 10 JEEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCN(C)[C@H]1c1cccs1 1705604574 OVTSDGKJTVZOHP-YQVWRLOYSA-N 464.661 2.492 30 10 JEEE C=C(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(=O)CCC)CC1)c1ccccc1 1705741055 FEMFHJORBDCWEG-GOSISDBHSA-N 474.631 2.487 30 10 JEEE C=CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1705890358 LOLGXKUROAAERW-IAGOWNOFSA-N 485.593 2.111 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(C[C@H]2CCOC2)CC1 1705898643 SBVKGTYDKLLWMS-QGZVFWFLSA-N 474.993 2.068 30 10 JEEE C=CCNC(=O)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1705906276 YTZMDUVIBMDOMX-GOSISDBHSA-N 465.558 2.367 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC[C@@H](n3nc(C)cc3C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1705909125 NXYLLWGMWDOCMK-HYBUGGRVSA-N 471.606 2.276 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](C)O[C@@H](C)C1 1705931203 IWMVTSZCWPIJRQ-STQMWFEESA-N 458.382 2.250 30 10 JEEE CCOc1ccccc1OCc1nnc(N2CC[C@](F)(C#N)C2)n1CCN1CCOC[C@@H]1C 1710564860 HPJXVBZIVFJFDW-MBSDFSHPSA-N 458.538 2.418 30 10 JEEE CN(c1nnc(-c2cccc(C#N)c2)n1CC(=O)NCC(F)F)[C@@H]1CCCc2c1cnn2C 1711027893 FBNXZDDUVQSONZ-QGZVFWFLSA-N 454.485 2.445 30 10 JEEE COc1ccc(OC(F)F)c(Cn2c(C)nnc2N2CCN(c3c(C#N)c(C)nn3C)CC2)c1 1711867357 HUBKEICKTDHJPU-UHFFFAOYSA-N 472.500 2.485 30 10 JEEE COCC(C)(C)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCO[C@@H](C#N)C1 1712125247 AFYGYIRYEAUOJH-QFIPXVFZSA-N 467.618 2.044 30 10 JEEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)CN2CCCC2)CC1=O 1712476770 AMEDNWLIBKIPNT-UHFFFAOYSA-N 465.602 2.234 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)N[C@H](C)c1ccccc1 1722296473 QKJCSDWSPXOMHT-QKNQBKEWSA-N 488.658 2.198 30 10 JEEE C#CCCCCn1c(N2CCN3C(=O)NC[C@@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1722322342 JUHNNPIHCODCMQ-FGTMMUONSA-N 457.579 2.066 30 10 JEEE C#CCN(c1nnc(-c2ccccc2F)n1CCC(=O)N[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1722361080 FJQUFXOCHVLAHD-SJORKVTESA-N 461.563 2.016 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccoc1 1722422364 RAHKFRFVPTYRJQ-HXUWFJFHSA-N 473.530 2.031 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cc(C)no1 1722426190 BZZITLWHHYTXGB-GOSISDBHSA-N 460.535 2.017 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2cccc(N(C)C)c2)CC1 1722440467 JNIQHTMPCLLJCW-UHFFFAOYSA-N 463.611 2.139 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(NC(N)=O)cc2)CC1 1722448180 VFDROVZIAUPEDF-UHFFFAOYSA-N 451.575 2.371 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)CCC(=O)NC 1722496728 ZMRRLNIOLVDJTL-MJGOQNOKSA-N 489.646 2.100 30 10 JEEE C=CCN(c1nnc(COc2ccc(Br)cc2)n1C[C@]1(O)CCS(=O)(=O)C1)C1CC1 1722653484 DSCBXHNUSHHXRO-HXUWFJFHSA-N 497.415 2.324 30 10 JEEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1722701303 MFZNDAROFPOPPV-UHFFFAOYSA-N 450.543 2.045 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(Br)cc2)nnc1N(C)[C@@H]1CCOC1 1722731465 LRMBALSNJRGTPX-MRXNPFEDSA-N 485.404 2.446 30 10 JEEE COC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1729806944 DSSHFNLMKQXZLV-UHFFFAOYSA-N 493.612 2.182 30 10 JEEE CO[C@@]1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(CC(C)C)C(=O)[C@H]2C)CCOC1 1729943056 CKQPSFIYXNJPNZ-HOYKHHGWSA-N 452.559 2.315 30 10 JEEE COCCN(C)CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@](F)(C#N)C1 1730732880 ANNSJGVQEWIBPG-FDDCHVKYSA-N 479.601 2.413 30 10 JEEE N#C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2Cc2sccc2Br)CCO1 1731186905 HSFZQLPYHWCIQT-GFCCVEGCSA-N 451.350 2.002 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCc1cccc(C(=O)NC)c1 1740546130 FZWVNEVLAGREMM-KRWDZBQOSA-N 479.610 2.298 30 10 JEEE C#CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CCOC)CC1 1740575918 WPBIIMCAWUQDID-HXUWFJFHSA-N 476.622 2.158 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1740621779 PAVXEWVAGDBQNM-DLBZAZTESA-N 476.603 2.155 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCc1ccc(C)cc1C)[C@H]1CCS(=O)(=O)C1 1740621861 PJUMXNLBVQMQPN-NRFANRHFSA-N 452.584 2.165 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(SC)CCN(C)CC1 1740629894 AEOSGOXXKXQILE-UHFFFAOYSA-N 471.652 2.249 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccc(C)c(C)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1740644164 VQGUEDZKRFLHNI-VHXPQNKSSA-N 458.522 2.073 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCN2CCCCCC2)CC1 1740703376 QEFRYMVUUVSPFS-AREMUKBSSA-N 486.661 2.161 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1740709327 FGHOIAPYPDYLON-GOSISDBHSA-N 469.615 2.280 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)CC1CCC1 1740762704 VUIQNVBUEUDUEO-AABGKKOBSA-N 467.636 2.219 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2cccc(C)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1740763553 MOTJASRUOHPYHR-UGKGYDQZSA-N 475.615 2.228 30 10 JEEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1740795126 OMXGAJWYIWCECW-ROUUACIJSA-N 451.568 2.105 30 10 JEEE C=CCCCCn1c(-c2cnccn2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1740861620 SIQXNXFERYWRCI-SIKLNZKXSA-N 452.607 2.470 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 1740959418 UYAIAUHMXSDEFB-UHFFFAOYSA-N 455.563 2.444 30 10 JEEE Cc1noc(C)c1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1742882032 CTWMWLQVGDWGAM-UHFFFAOYSA-N 469.571 2.330 30 10 JEEE CCC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1745165086 BGZGTUMXSWFAND-VWLOTQADSA-N 467.618 2.358 30 10 JEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1748784210 FMUQJGLIAJOTNY-ROUUACIJSA-N 473.647 2.195 30 10 JEEE C#CCN(C)c1nnc(Cc2cccnc2)n1C[C@@H]1C[C@@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1748794178 XYZGGMLRYCPFID-AABGKKOBSA-N 452.559 2.358 30 10 JEEE C#CCN(c1nnc(-c2cc3ccccc3o2)n1CCC(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 1748807965 FFSGVYVTWYEZQS-GOSISDBHSA-N 469.567 2.233 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1748822102 XQDWMFZWAPLGEH-RBUKOAKNSA-N 477.631 2.257 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CSc3ccccc3OC)n2CC(=O)NC(C)C)CC1 1749018897 HVBTXZUEBCUFBE-UHFFFAOYSA-N 484.626 2.069 30 10 JEEE C=C(Br)Cn1c(Cc2c(F)cccc2F)nnc1N(C)CCNS(C)(=O)=O 1749103910 GXCWKTQOSRXGIW-UHFFFAOYSA-N 464.336 2.041 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccnc2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1749126710 GDNJDPDJJMYLHT-GGAORHGYSA-N 467.618 2.312 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCS(=O)CC1 1749129079 AKRBSCNTWVZEDR-FHWLQOOXSA-N 495.646 2.136 30 10 JEEE C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1CCN(CCCOCC(F)(F)F)CC1 1749275534 FVCOJNIATGMNNO-UHFFFAOYSA-N 464.920 2.244 30 10 JEEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ccc(N(C)C)nc1 1749471880 VCHMGDICUBUTSK-UHFFFAOYSA-N 455.588 2.327 30 10 JEEE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3cccc(C#N)c3)n2CC2(S(C)(=O)=O)CCC2)C1 1749790436 HSLKKHGJUBFYTF-IBGZPJMESA-N 470.599 2.089 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(F)cc2Br)n1CCCNS(C)(=O)=O 1760105496 QQFQZIAHOFAXFE-LBPRGKRZSA-N 458.357 2.244 30 10 JEEE C#CCN(c1nnc(-c2nnc(O)c3ccccc23)n1CC(CC)(CC)OC)[C@@H]1CCS(=O)(=O)C1 1760188352 KEFPVSHZFOKQOP-QGZVFWFLSA-N 498.609 2.426 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H](OC)c1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 1760189142 OAZRUKPJSVTXCU-QUCCMNQESA-N 486.985 2.403 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1Cc1cccc(C(=O)N[C@H](C)CC)c1)[C@H]1CCS(=O)(=O)C1 1760189276 HAVDTIBWPSSLJF-GCJKJVERSA-N 483.638 2.434 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@@]2(O)CCC[C@H]2C)CC1 1760254666 FOIOOBUGWIFMNQ-CJAUYULYSA-N 469.586 2.277 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCCC(F)(F)C2)CC1 1760261139 HHXNMYCSPGVIIE-MSOLQXFVSA-N 455.575 2.151 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2OCC)CC1 1760281304 MCFOLJQOPBNMDZ-IBGZPJMESA-N 489.667 2.272 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc(NC(C)=O)cc1 1760288703 IPTLABAFVURNES-KSFYIVLOSA-N 458.588 2.082 30 10 JEEE C=C(Br)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C)C(=O)[C@H]1C 1760308640 MXCFYEJSVBZMBR-HUUCEWRRSA-N 499.410 2.162 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)CCS(C)(=O)=O 1760319327 MHALFHCNNLUHBC-YLJYHZDGSA-N 464.588 2.424 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(CC2CCOCC2)CC1 1760342433 AZSHYZXKDHTPAJ-UHFFFAOYSA-N 459.616 2.473 30 10 JEEE C=C(Cl)Cn1c(-c2cnccn2)nnc1N1CCC(C(=O)NCCCN2CCCC2)CC1 1760372478 LCMFURWMEPHWHG-UHFFFAOYSA-N 458.998 2.306 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOC(C)C)CC1 1760411722 CDPVUYPUOMCKHG-IBGZPJMESA-N 453.653 2.330 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)Nc2ccccn2)n1CCS(C)(=O)=O 1760478225 ABBHZNIWKZEPLI-UHFFFAOYSA-N 465.539 2.034 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@@H](C(=O)OC)C1 1760557595 QNDIWGCXHJINAV-LJQANCHMSA-N 476.599 2.464 30 10 JEEE C=CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1760563293 MQVJEEKDCHIVNF-UHFFFAOYSA-N 493.655 2.496 30 10 JEEE CC(C)N(C)C(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1761158862 ALZSCUIZLCQAGI-BCHFMIIMSA-N 496.612 2.352 30 10 JEEE CN(C)CCN1CCC(Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)Cc2ccc(C#N)cc2)CC1 1766927869 GQZSWGWBZUBYII-QFIPXVFZSA-N 464.618 2.011 30 10 JEEE N#Cc1cccc(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)NCc3cccnc3)cc2)c1 1858976935 CGUHYXYFQAYFSZ-UHFFFAOYSA-N 463.519 2.114 30 10 JEEE C=CCOC(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2cc(OC)ccc2[N+](=O)[O-])cc1 1859013038 MYIJPKGXPGJCHH-UHFFFAOYSA-N 463.468 2.177 30 10 JEEE C=CCNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1ccc2nc(-c3ccc(OC)cc3OC)[nH]c2c1 1861419528 QRDCKIMKIGUICT-QRWLVFNGSA-N 450.495 2.125 30 10 JEEE C=CCOc1ccccc1[C@@H]1C(C(=O)NCCNC(C)=O)=C(N)Oc2c1c(CCC)nn2CC 1864320942 DLWRNKUESKMRPX-FQEVSTJZSA-N 467.570 2.367 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)OC(C)C)cn1CCN1C(=O)CSC1=O 1870481433 HUJLXRUGZVHNOR-UHFFFAOYSA-N 463.556 2.048 30 10 JEEE COC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)(C)C)C2)n1/N=C/c1ccc(O)c(OC)c1 1874277892 FTOQQMYSGRVGDA-GGPGUOJZSA-N 461.544 2.254 30 10 JEEE COc1cc(/C=N/n2c(CNC(C)=O)nnc2SCC(=O)Nc2ccc(F)cc2)ccc1O 1874432322 ZLCWWAFHPBDNLH-YSURURNPSA-N 472.502 2.381 30 10 JEEE Cc1nc(I)c(I)n1C[C@@](C)(C#N)NC1CC1 1941556142 KTPUTFDPFJZDJW-LLVKDONJSA-N 456.069 2.435 30 10 JEEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](C)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 2222515827 NQDOCXZIQZTXLI-HKARXFIJSA-N 453.580 2.417 30 10 JEEE CN(C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1)[C@H]1CCN(C(=O)OCc2ccccc2)C1 2255650432 PGHFZBAQHWGIPT-SFHVURJKSA-N 468.363 2.202 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(NS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2255796205 NDFGOGHPRBCPRO-RBZFPXEDSA-N 470.422 2.335 30 10 JEEE C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1cc(B2OC(C)(C)C(C)(C)O2)cs1 2256627850 YOPJBGLMORWPQZ-CZUORRHYSA-N 454.398 2.280 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1)[C@H]1CCCO1 2256677045 UUNYJFQIXSEPIA-TZMCWYRMSA-N 453.370 2.453 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@H](NC(=O)c3cscc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2266997017 KMCYRSRLGOISIY-COXVUDFISA-N 464.393 2.411 30 10 JEEE CC(C)(C)OC(=O)NCC1(F)CC(CNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2267092029 LUABDJAFQAOAHA-UHFFFAOYSA-N 452.336 2.082 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H]1NS(=O)(=O)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2267471014 PVRKKBAJKYMHFD-FUHWJXTLSA-N 466.409 2.318 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2Cl)CO1 2267472285 NXAFFBLNCKZLEF-CQSZACIVSA-N 488.799 2.468 30 10 JEEE Cc1c(C(=O)N(C)[C@H](C)CCNC(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2267515315 MKGRNUWMPYFMMI-CQSZACIVSA-N 450.389 2.403 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](NC(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)CCO1 2267561320 NYCVBETXPGNKJA-CABCVRRESA-N 450.341 2.381 30 10 JEEE CC(C)(C)OC(=O)N1CCNC(=O)CCN(C(=O)[C@H]2C[C@@H]2B2OC(C)(C)C(C)(C)O2)CC1 2267565922 UKIWIRFIMFRULT-HOTGVXAUSA-N 451.373 2.054 30 10 JEEE CC(C)(C)OC(=O)N[C@@](C)(C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1)C(C)(C)O 2268630043 FPKXRLNEXRLBKI-NRFANRHFSA-N 469.413 2.113 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@@H](COc3ccc(B4OC(C)(C)C(C)(C)O4)cn3)O[C@H]2C1 2279898304 SVMHYJXLQWDJMD-BZSNNMDCSA-N 462.352 2.163 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2CC[C@@H](N3CCN(C(=O)OC(C)(C)C)CC3)C2)C1 2281224014 UFMCJJQCARRKPR-FAFRJYIDSA-N 476.618 2.447 30 10 JEEE CC1(C)OB(c2ccc(F)c(C(=O)NC[C@@H]3CNCCN3Cc3ccccc3)c2)OC1(C)C 2281782659 ZMYAEEMHWAAISS-FQEVSTJZSA-N 453.367 2.329 30 10 JEEE Cn1ncc(C(=O)N[C@]23CCC[C@@H]2N(C(=O)OC(C)(C)C)CC3)c1B1OC(C)(C)C(C)(C)O1 2281817391 LHZKTEZOACSCOY-HJPURHCSSA-N 460.384 2.381 30 10 JEEE Cc1cnc(C(=O)N2CC[C@H](C)[C@@H](NC(=O)C(F)(F)F)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2281949180 GMLNJAZGJMZUPC-ZFWWWQNUSA-N 455.286 2.218 30 10 JEEE CC(C)(C)OC(=O)NCC1CC([S@](C)(=O)=NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2281979909 RAUTVTQFOVNFAQ-ICZALSQNSA-N 482.412 2.250 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@H]1CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282011408 ISTOFMUNNHFHMR-OAHLLOKOSA-N 481.786 2.400 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2CC[C@@](NC(=O)OC(C)(C)C)(C2)C1 2282042555 CXTLICUASWVKPF-NPMXOYFQSA-N 460.384 2.239 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H](O)C1 2282139010 RNFKAXFOOXBJGZ-GOSISDBHSA-N 460.380 2.348 30 10 JEEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)[C@@H]2CC[C@H]21 2282299831 XAPQJXOSZUIJRZ-QZTJIDSGSA-N 479.408 2.153 30 10 JEEE CC(C)(C)OC(=O)N1CC2(C1)CN(S(=O)(=O)c1ccc(B3OC(C)(C)C(C)(C)O3)c(F)c1)C2 2282319882 AJMWPSSFVLWMIP-UHFFFAOYSA-N 482.383 2.366 30 10 JEEE CCc1nc(C(=O)NC[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2282524570 DSHOLFHGZLOBRV-QFIPXVFZSA-N 481.424 2.106 30 10 JEEE Cn1nc(C(=O)NC[C@@H]2COCCN2Cc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2282549227 HKJAOWWICCRFCQ-QGZVFWFLSA-N 474.798 2.004 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@@]3(CCN3C(=O)OC(C)(C)C)C2)n1 2282594888 MFDKXOYFTOCXTJ-HSZRJFAPSA-N 460.384 2.428 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H]3CCN(C(=O)OC(C)(C)C)[C@@H]3C2)n1 2282600169 SQKQTIGPWORDRC-DOTOQJQBSA-N 460.384 2.284 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CN(C(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)[C@@]2(CCOC2)C1 2282617198 IKPIZNRQJCFXQK-PEBXRYMYSA-N 479.408 2.341 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@]2(COCCN2C(=O)[C@@H]2C[C@@H]2B2OC(C)(C)C(C)(C)O2)C1 2282650522 NTWGTNXTGYXZSM-DGGJZMOXSA-N 466.384 2.334 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@H]1CCNS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282864428 FYZZBPGONYNHMW-KRWDZBQOSA-N 481.424 2.449 30 10 JEEE CC(C)(C)OC(=O)N1CCn2ncc(C(=O)NCc3cnc(B4OC(C)(C)C(C)(C)O4)s3)c21 2284055586 VVUUQPLRHMIGDG-UHFFFAOYSA-N 475.380 2.324 30 10 JEEE CN(Cc1ccccc1)C[C@H](NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Cl)C(=O)O 2284434223 WPZLQDYQQUVOCM-SFHVURJKSA-N 473.766 2.349 30 10 JEEE COC(=O)[C@@H](CS(=O)(=O)Nc1ccc(Cl)cc1C#N)NC(=O)OCc1ccccc1 2286030684 DIRJYJOXMYKCKE-QGZVFWFLSA-N 451.888 2.421 30 10 JEEE CC(C)(C)OC(=O)N(CC(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1)C[C@H]1CCCO1 2288087745 HMNHIMRTFQCMLT-OAHLLOKOSA-N 481.424 2.475 30 10 JEEE Cc1nc2ccccn2c1C(O)=C1C(=O)C(=O)N(CCCN2CCOCC2)[C@H]1c1ccco1 2296927194 XWRHAMHQTZYHIP-NRFANRHFSA-N 450.495 2.380 30 10 JEEE CCCOc1c(Br)cc(C=Nn2c(CCOC)nnc2SCC(N)=O)cc1OC 2331265936 GDSYJVOVXPUOJT-UHFFFAOYSA-N 486.392 2.487 30 10 JEEE CO[C@@H](CNC(=O)OC(C)(C)C)C(=O)N1CCc2scc(B3OC(C)(C)C(C)(C)O3)c2C1 2336502665 ZJYOVPARQPKMLH-INIZCTEOSA-N 466.409 2.472 30 10 JEEE Cn1cc(C(=O)N[C@H]2C[C@@H]3C[C@H](NC(=O)OC(C)(C)C)[C@@H]3C2)c(B2OC(C)(C)C(C)(C)O2)n1 2359278215 CWXVKONFZVAYES-DLTWYDFYSA-N 460.384 2.141 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C(F)(F)C1 2362355628 AXAHMWSGPYHZGE-ZDUSSCGKSA-N 470.326 2.094 30 10 JEEE C=CCn1c(=O)c2ccc(C(=O)N[C@@H](C)CC)cc2n2c(=O)n(CC(=O)Nc3cccc(C)c3)nc12 64581541 BYUFZKBFEVSGNY-KRWDZBQOSA-N 488.548 2.472 30 10 JEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cc3c(cc2OC)C[C@H](C)O3)c(=O)n1-c1ccccc1C 514328431 ZODZVGNWEVIYIC-KRWDZBQOSA-N 487.581 2.345 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)C[S@@](=O)CC(=O)Nc3ccc(OC)cc3OC)cc21 586336799 QJQZZODHKXHGPG-MGBGTMOVSA-N 472.519 2.185 30 10 JEEE CC#CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1C[C@@H](O)C[C@H]1C(=O)O 757205763 BATMYCMNSMMZIS-FNVCAUGXSA-N 462.502 2.354 30 10 JEEE CCOc1cc(C=NNc2nnc(SCC(=O)Nc3ccc(OC)c(OC)c3)n2N)ccc1O 1084025816 OLKVGCOZGPLPHQ-UHFFFAOYSA-N 487.542 2.290 30 10 JEEE COc1ccc(NC(=O)CSc2nnc(NN=Cc3ccc(N(C)C)cc3)n2N)cc1OC 1084137203 CGOSXBUJLBKUPC-UHFFFAOYSA-N 470.559 2.252 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1CCOCCS(C)(=O)=O 1286278545 DPWAAQSPDUPRQR-CQSZACIVSA-N 485.404 2.235 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2C[C@@H]2NC(=O)CC2(C)C)c1 1286310054 AVINRTSOWFYFQJ-QUCCMNQESA-N 464.570 2.143 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)N2CCC[C@H](C)C2)CC1 1286663692 OZNCRLHMXMNNSM-ZJOUEHCJSA-N 480.679 2.134 30 10 JEEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1286665890 FLLXILJCXQTIRG-UHFFFAOYSA-N 475.619 2.436 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCc2cc(OC)c(OC)c(OC)c2CC1 1286788764 FTVNOMGQQHPZTH-UHFFFAOYSA-N 492.580 2.197 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1286816649 KNHZBQMFKQXUKK-GJZGRUSLSA-N 475.036 2.457 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1286823111 JVOIKDGMCIRFEL-MAUKXSAKSA-N 499.515 2.486 30 10 JEEE C#CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1CCCCS1(=O)=O 1300458099 MVDDAICCVASJIQ-ROUUACIJSA-N 465.620 2.429 30 10 JEEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cscc1C)[C@@H]1CCS(=O)(=O)C1 1300481829 BWXWOGUJZLWQKP-DENIHFKCSA-N 478.640 2.364 30 10 JEEE C#CCN(c1nnc([C@@H]2COc3ccccc3O2)n1CC(=C)Br)[C@H]1CCS(=O)(=O)C1 1300496438 RICDXZPLJRXPEL-YJBOKZPZSA-N 493.383 2.326 30 10 JEEE C#CCN(c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCC(C)C)[C@H]1CCS(=O)(=O)C1 1300502754 WRKVIKUQXUCDAM-DEOSSOPVSA-N 498.697 2.316 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(C)n(C)c1=O 1300642030 MYUQGBFILCNYPV-UHFFFAOYSA-N 462.529 2.348 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CCN2[C@H](C)CC[C@H]2C)CC1 1300733523 KVEDZFURGJSXLY-NHCUHLMSSA-N 496.685 2.287 30 10 JEEE C#CCSCCn1c(CC2CCCC2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1300768689 VSOIMFDMUOCEGA-UGKGYDQZSA-N 458.676 2.366 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(Cn2nc(C)cc2C)n1CC1(NC(=O)OC(C)(C)C)COC1 1300813363 GWLNLLYLVOQANK-HSZRJFAPSA-N 469.590 2.426 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1300897803 VLDZJHMMOWSCMX-HFMPRLQTSA-N 474.650 2.319 30 10 JEEE C=CC1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC(=O)N2CCOCC2)CC1 1301135426 KIZLJSDYLUFVEP-KDURUIRLSA-N 474.606 2.310 30 10 JEEE C=CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1CCN1CCOC[C@H]1C 1301417067 NVAMBVDDRUTBTF-OAHLLOKOSA-N 453.385 2.395 30 10 JEEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1301509365 GOACZVGPFDUREX-UHFFFAOYSA-N 494.518 2.363 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1301515374 UCBLVUJSEUESLA-UHFFFAOYSA-N 486.573 2.225 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cc(OC)c(OC)c(OC)c2)C1 1301558707 YAJKJRQHRLBDBQ-MSOLQXFVSA-N 492.598 2.036 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(C)(C)CC1 1301576480 VPDOVAPYEOGSQC-UHFFFAOYSA-N 495.671 2.423 30 10 JEEE C=CCSCCn1c(-c2ccccn2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1301604662 YKTUYJULPGJWFN-WIYYLYMNSA-N 455.632 2.248 30 10 JEEE CS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](OCC2CC2)C1 1302468036 BZSDVGRDBKFUCS-FQEVSTJZSA-N 459.572 2.169 30 10 JEEE CC(C)N(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1303270727 GOCRFPYENPRJAM-UHFFFAOYSA-N 450.591 2.495 30 10 JEEE CC(C)OCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCOC2)CC1 1303572311 CNIATEMYQJEOBC-NRFANRHFSA-N 454.575 2.312 30 10 JEEE N#Cc1ccc(OC2CN(C(=O)NCC(=O)N3CCN(c4ccc(Cl)cc4)CC3)C2)cc1 1311822818 BQROJDINRXTHTR-UHFFFAOYSA-N 453.930 2.333 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 1312467658 AMEIHHISXULSLJ-YTQUADARSA-N 452.515 2.112 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC1(O)CCN(C(C)C)CC1 1358971785 ITKKWCPGFBLOFQ-UHFFFAOYSA-N 481.597 2.279 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCN(C)C(=O)OC(C)(C)C)CC1 1359032863 GQEGKVPPTHJFTG-UHFFFAOYSA-N 482.585 2.338 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 1359036009 KHSYJHGELYPXFL-PMACEKPBSA-N 458.607 2.184 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCSCC(F)(F)F)CC1 1359041765 HWQXWMNXGWPVNB-FQEVSTJZSA-N 489.564 2.192 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2CCCN2CCCCC2=O)CC1 1359046083 DHBWWMKFVOSJHL-UHFFFAOYSA-N 480.588 2.376 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(Cn2nc(C)cc2C)n1CCc1ccc(S(N)(=O)=O)cc1 1359073611 YBPTUTVMMWFUOH-HSZRJFAPSA-N 467.599 2.022 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C)C(=O)C1 1359089164 CMUJLJLOALRBGL-RXVVDRJESA-N 452.559 2.407 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccccc2F)nnc1N1CCC(OCC(N)=O)CC1 1359105173 KUFNYLUYPAYLHJ-SBUREZEXSA-N 473.549 2.448 30 10 JEEE C=C1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2cccc(S(=O)(=O)NC)c2)CC1 1359158532 WACUTRXXNNNJQD-UHFFFAOYSA-N 460.604 2.309 30 10 JEEE C=CCC(C)(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(CCOC)C(=O)C1 1359187789 XGUGXXZZNIZSGI-UHFFFAOYSA-N 465.558 2.491 30 10 JEEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C)cc2)C(=O)C1 1359198349 ONEPLWALYRXNRL-GOSISDBHSA-N 460.604 2.406 30 10 JEEE CC#CC[C@H](CO)NC(=O)NC[C@@H]1CCCN1Cc1ccc(I)cc1 1469956277 MVDLGSSRLKYTPA-MSOLQXFVSA-N 455.340 2.329 30 10 JEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@H](c2ccc(S(C)(=O)=O)cc2)C1 1470457675 XDKUYHNMTGEDRY-OALUTQOASA-N 450.557 2.297 30 10 JEEE Cn1ccc(CCn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CCO[C@@H](C#N)C2)n1 1503662275 AOCSOIICNLUSEB-MJGOQNOKSA-N 470.578 2.098 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CC3)n2CC2CCS(=O)(=O)CC2)c1 1507551383 CXSUURSDEIROHN-UHFFFAOYSA-N 455.584 2.112 30 10 JEEE C#CCCCCn1c(COc2ccccc2OC)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1507570502 FHMTWFBODSCMPV-VWLOTQADSA-N 480.569 2.484 30 10 JEEE C#CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1507572232 COBYBWARZUQZBQ-SFHVURJKSA-N 458.588 2.031 30 10 JEEE C#CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCN(CC)S(C)(=O)=O 1507612849 WSCBOHSKHZHEFB-GOSISDBHSA-N 482.651 2.134 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CCC1(F)CCC1)[C@H]1CCS(=O)(=O)C1 1507622034 FGXSPBZRUGBOLN-KRWDZBQOSA-N 453.584 2.106 30 10 JEEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1507754142 SSAOZJRXWBIHDA-QHCPKHFHSA-N 488.564 2.328 30 10 JEEE C#CCSCCn1c(N2CCc3c(ccnc3N(C)C)C2)nnc1[C@]1(OCC)CCOC1 1507757995 FORNGNNHPIPAQR-QHCPKHFHSA-N 456.616 2.320 30 10 JEEE C=C(Br)Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@]2(CCOC2)C1 1507789683 IGMNAFDJMNYFHJ-SFHVURJKSA-N 468.377 2.174 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1507791032 GXUSTLFYJRXZKR-CTNGQTDRSA-N 482.585 2.066 30 10 JEEE C=C(C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1507829788 LJFQYLJCXSETTD-QGZVFWFLSA-N 487.605 2.489 30 10 JEEE C=C(C)COCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1507847805 KZVGCTQBQWQMKL-JOCHJYFZSA-N 493.568 2.088 30 10 JEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(c2nccs2)CC1 1507954839 QKWFJDYYWNUAKM-KRWDZBQOSA-N 466.633 2.418 30 10 JEEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2c(F)cc(F)cc2C1 1507965857 WHGKXGDZQKUZEG-FQEVSTJZSA-N 497.568 2.045 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc(C(=O)Nc2ccccn2)n1CC(=O)N1CCOCC1 1508021274 QZLZKGSUHYMQFW-UHFFFAOYSA-N 475.553 2.019 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1C[C@H](C)O[C@H](COC)C1 1508073614 OFFNMWYWMRRKSE-ROUUACIJSA-N 450.543 2.344 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C)o3)n2CCS(=O)(=O)N2CCSCC2)C1 1508114326 CVBIDRQMJPSECN-KRWDZBQOSA-N 467.617 2.006 30 10 JEEE CCO[C@]1(c2nnc(N(C)Cc3cccc(C#N)c3)n2C[C@H]2CCOC[C@H]2OC)CCOC1 1516140823 DQHLAEKLGWZINH-PQNGQFLHSA-N 455.559 2.490 30 10 JEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)COc2ccc(Br)cn2)c1 1528413016 WZQRJRJFGOWLSD-UHFFFAOYSA-N 458.312 2.096 30 10 JEEE C#C[C@@H](NC(=O)Cn1cc(S(=O)(=O)N(CC)CC)ccc1=O)c1ccc(Cl)cc1F 1528522619 COCWCTVBWIJUFJ-GOSISDBHSA-N 453.923 2.162 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1CCc1cn[nH]c1)[C@@H]1CCS(=O)(=O)C1 1539213190 WSQAUUACJVJXDK-QGZVFWFLSA-N 474.974 2.200 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1CCNc1nccc(C(F)(F)F)n1 1539300207 SFYGCDWDXNAZAA-OAQYLSRUSA-N 477.491 2.314 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CC(C)(C)CN(C)C)CC1 1539434540 MISLJSNALFHUMD-UHFFFAOYSA-N 470.618 2.314 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c(-c2cnccn2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1)C(C)C 1540151657 KDZBLYKNOZAING-URVUXULASA-N 464.618 2.396 30 10 JEEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cc(OC)ccc1Br 1540853683 JBKMSLVDTKGULG-GFCCVEGCSA-N 458.382 2.482 30 10 JEEE C=CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(S(=O)(=O)N(CCC)CCC)CC1 1540856410 VZINTYVUEGOQMH-UHFFFAOYSA-N 476.603 2.349 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1540863012 NQILJTACCRLWKI-LEWJYISDSA-N 499.635 2.464 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC(c3ccccc3CO)CC2)nnc1[C@]1(OC(C)C)CCOC1 1540876520 UJERBIOTBIDQMF-SANMLTNESA-N 483.613 2.497 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@H]2CC=CCO2)C1 1540885262 FDYQXDSSYKBIID-VQTJNVASSA-N 473.599 2.322 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCN(C)C(=O)OC(C)(C)C)C1 1540892941 UNJMSFKWDCGCHY-QZTJIDSGSA-N 483.635 2.219 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 1540902784 QGESFEZLUFKJIM-MSOLQXFVSA-N 497.980 2.200 30 10 JEEE CCc1nc(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)no1 1546368785 AGOJVLVYGYRSQG-QGZVFWFLSA-N 455.544 2.018 30 10 JEEE COCCNC(=O)[C@H]1CN(C(=O)c2cccn2C)CCN1c1ccc(C#N)c(C(F)(F)F)c1 1548368095 SBPCKGIUVKGMFK-LJQANCHMSA-N 463.460 2.009 30 10 JEEE CN(Cc1cccc(C#N)c1)c1nnc(CNC(=O)c2cccs2)n1CC(=O)NCC1CC1 1554164970 DTGAGULCIJDEPV-UHFFFAOYSA-N 463.567 2.304 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1CCCOCC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1588059031 HWORGUCSQHWYIM-HXUWFJFHSA-N 466.648 2.327 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(Sc2ccccc2)CC1 1588386456 PDZUMWJBTYVNJQ-IBGZPJMESA-N 475.640 2.395 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccnc(OCC(F)(F)F)c2)CC1 1588811432 IYCQNVPEZAETPY-SFHVURJKSA-N 464.492 2.312 30 10 JEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2csc(CC)n2)CC1 1588968014 DYGKSZUWJOFMBL-UHFFFAOYSA-N 473.672 2.222 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)c1c(C)noc1C 1589664264 WRKWBVVFBJDHRX-MAUKXSAKSA-N 466.608 2.422 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@]1(O)CCOC1 1595083742 FQJIDXZJDMXSIG-BJKOFHAPSA-N 453.543 2.146 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@@H](C)c1ccc([S@@](C)=O)cc1 1595466126 FHURVWCPYOZECM-JCYUZIAUSA-N 481.582 2.162 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Br)c2)nnc1N1CCC(CC(N)=O)CC1 1595766859 ZFNLYFHXZCWDET-UHFFFAOYSA-N 496.431 2.400 30 10 JEEE Cc1ccc(C)c(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@H]2CCCN2S(C)(=O)=O)c1 1611998776 CHBXADCQARQNGH-XMSQKQJNSA-N 476.578 2.340 30 10 JEEE CCOC(=O)N[C@H](CC(C)C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCNC(=O)CC1 1616002221 BXFSHNVJRKDJCV-LJQANCHMSA-N 453.547 2.304 30 10 JEEE CCN1CCN(C(=O)CC2CCN(C(=O)CCCC(=O)Nc3ccccc3C#N)CC2)CC1 1628995832 FCDRFOOPQCSYQG-UHFFFAOYSA-N 453.587 2.460 30 10 JEEE CCc1nnc(NC(=O)[C@@H](C)[C@@H](C)NC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)s1 1630999408 FCMSOJWPUQKFIU-UONOGXRCSA-N 456.576 2.298 30 10 JEEE CN(CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)C[C@@H](O)COCc1ccccc1 1644613830 FLWBUXXKGISYCX-RPWUZVMVSA-N 454.546 2.044 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCNC(=O)c1cccc(OC)c1 1649539280 ZKYWWSJKENQDEL-UUOWRZLLSA-N 455.559 2.215 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(Br)c2)n1CCC(=O)N1CCOCC1 1690003618 SGXLLEOIFPZQEE-UHFFFAOYSA-N 456.344 2.029 30 10 JEEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H](c1ccc(C)o1)N1CCOCC1 1690086940 DVSIJPMHYXHSEO-VWPQPMDRSA-N 457.575 2.437 30 10 JEEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2CCn2cc(Br)cn2)CC1 1690130481 HCYRFZWQROHWBR-UHFFFAOYSA-N 498.429 2.486 30 10 JEEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2CCCN2CCCCC2=O)CC1 1690132482 ROCZHXYWWYYWFP-UHFFFAOYSA-N 450.587 2.323 30 10 JEEE C#CCSCCn1c(N2CCC[C@@H](S(C)(=O)=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1690186009 KAOMQLOBHJDUSF-FGTMMUONSA-N 497.687 2.429 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C)cc2)nnc1N(C)CC(=O)N1CCOCC1 1690252140 AGSRAKOCGGRDBF-YKSBVNFPSA-N 469.586 2.442 30 10 JEEE C=C(Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)COC)CC1)c1ccccc1 1690325885 LEXQVCDPEIQDSR-UNMCSNQZSA-N 455.559 2.011 30 10 JEEE C=CC[C@H](Cn1c(CC)nnc1N1CCN(C(=O)CN2CCOCC2)CC1)c1ccccc1 1690444440 HEYPXZGURISZQY-JOCHJYFZSA-N 452.603 2.181 30 10 JEEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1690655513 YNYOWPHTYKJXCS-MJGOQNOKSA-N 473.622 2.325 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCN(c2ccnc(C)n2)CC1 1690676101 PWDIMSKIDGLQRN-UHFFFAOYSA-N 476.585 2.201 30 10 JEEE COc1ccc(OCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@](C)(C#N)C2)cc1 1697494885 BLYIERIEINVDIL-IERDGZPVSA-N 462.576 2.106 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CC[C@H](OC)C(F)(F)F)c1 1705505136 JLGKSPRBTYRIDB-IRXDYDNUSA-N 478.475 2.253 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CN2CCCCCC2)CC1 1705534608 MLHMPWUXXKASEQ-QFIPXVFZSA-N 492.690 2.117 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCCNc1ccccn1)[C@@H]1CCS(=O)(=O)C1 1705564193 AXIFVAGJPNUUPG-RTBURBONSA-N 458.588 2.044 30 10 JEEE C#CCN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1(CS(C)(=O)=O)CC1 1705602879 IIENYLXXJNFLLP-UHFFFAOYSA-N 463.991 2.146 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNC(=O)OC(C)(C)C 1705620517 WDINJQAWWFHEIW-GOSISDBHSA-N 491.589 2.484 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCc2ncc(CC)s2)CC1 1705635020 PCRCYQGGJGXVON-HSZRJFAPSA-N 458.632 2.336 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1705695771 ZFEYQANVHGLWRG-RBAQFSTRSA-N 458.607 2.425 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CC[C@]2(CCOC2)O1 1705859818 ZJKHBIZLBKHMFX-JXHRLWIKSA-N 475.615 2.419 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CN2CCCC2=O)n1CC1([S@](C)=O)CC1 1705860316 GNIGXKVAUFFUQZ-YTTGMZPUSA-N 452.584 2.376 30 10 JEEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCCN(S(C)(=O)=O)CC1 1705894318 VELHYLYZCQMZQS-INIZCTEOSA-N 454.597 2.008 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1705934229 FVGMBUYSLIOTOW-UHFFFAOYSA-N 486.642 2.478 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 1705934928 BDXJATISWLOHAJ-IAGOWNOFSA-N 455.625 2.427 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N(CC)Cc1nc(O)c2sccc2n1 1705938495 AFGKSEIGWUVSBY-OAHLLOKOSA-N 478.600 2.467 30 10 JEEE C=CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCNC(=O)[C@@H]1CC 1705939350 CWVKNECDMQWPEO-KRWDZBQOSA-N 463.007 2.496 30 10 JEEE CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@@H](C(F)F)N2CCOCC2)[C@H](C)C1 1705990380 SYJODZSAELQNMT-UTKZUKDTSA-N 487.555 2.230 30 10 JEEE CC(C)(C)OC(=O)NCC(F)(F)Cn1c([C@H]2CCCCO2)nnc1N1CCO[C@H](C#N)C1 1706165374 IEXFDUNLFBRLMB-HUUCEWRRSA-N 456.494 2.408 30 10 JEEE C=C(C)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCN(C(=O)OC)CC1 1722523632 CZXYVLOEVGLESI-UHFFFAOYSA-N 453.591 2.107 30 10 JEEE C=CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1722607869 MBULBYPINXFHNL-ZCNNSNEGSA-N 467.636 2.363 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCO[C@H](c2ccccc2)C1 1722702125 DSRPWYTYCUEHBE-ONTIZHBOSA-N 455.559 2.272 30 10 JEEE CCN(CCCn1c(C2CC2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1)S(C)(=O)=O 1728494839 BZINLNMWDHLBER-UHFFFAOYSA-N 485.658 2.411 30 10 JEEE CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)c2ncc(C)s2)CCO1 1729679695 BHBQUEJXSPTNST-KBXCAEBGSA-N 451.556 2.337 30 10 JEEE C#CCCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)CC(=O)NC(C)C 1740568362 VVBUKUHRECCETJ-UHFFFAOYSA-N 459.620 2.311 30 10 JEEE C#CCN(c1nnc(-c2cc(C)nc3ccccc23)n1C[C@@H](F)COC)[C@@H]1CCS(=O)(=O)C1 1740619971 RVOZRYWAYKFZLR-QZTJIDSGSA-N 471.558 2.413 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1Cc1c(CC)nn(C)c1CC)[C@H]1CCS(=O)(=O)C1 1740621966 QZAGKSQALOFHOU-SFHVURJKSA-N 496.637 2.487 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H](C)CN1CCOCC1 1740653649 STCGQDUCTYSXIP-NRFANRHFSA-N 487.608 2.106 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1cnn(-c2ccccc2)c1 1740655627 DXANDAMKLPBLMH-OAQYLSRUSA-N 462.579 2.072 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCS(=O)(=O)C1 1740676270 XYFWWKVIWYLKLT-GOSISDBHSA-N 482.541 2.139 30 10 JEEE C#CCN1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCOCCC(C)C)CC1 1740695746 CCLCBLZDJKYNLA-UHFFFAOYSA-N 466.634 2.270 30 10 JEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2ccc(Cl)cc2C1 1740710018 UNIKJSMBOJBRNE-CQSZACIVSA-N 454.021 2.471 30 10 JEEE C#CCSCCn1c(-c2cccnc2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1740715412 YMQROQKUEZOYSV-UHFFFAOYSA-N 450.616 2.379 30 10 JEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](c2cccs2)N2CCOCC2)CC1 1740832693 GLPWBSXPSPWTKU-PKOBYXMFSA-N 494.687 2.426 30 10 JEEE C=CCCCn1c(C(C)C)nnc1N1C[C@@H]2[C@@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1740868171 FYMXTBAAEBTNGK-IKGGRYGDSA-N 453.609 2.494 30 10 JEEE C=CCCOCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1740885149 ZJJFWDLGTZJXDM-UHFFFAOYSA-N 493.612 2.479 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1740955390 SWGGRMUIOSZYQL-IBGZPJMESA-N 482.585 2.246 30 10 JEEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1740962349 BBKZVYJVGMUNFM-UHFFFAOYSA-N 457.667 2.308 30 10 JEEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1740962622 JQTLIIXYMOHMPA-SIBVEZHUSA-N 496.612 2.478 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC(=O)N2CCOCC2)C1 1740983425 IKVRZYIVMPCZST-HXUWFJFHSA-N 455.559 2.114 30 10 JEEE Cc1ccc(C(=O)NCCn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[C@](C)(C#N)C2)cc1F 1742152348 BWOHOYYQVPVEHO-FDDCHVKYSA-N 453.522 2.237 30 10 JEEE COc1cc(Cn2c(CC(C)C)nnc2N2CCN(c3ccc(C#N)cn3)CC2)ccc1OCCO 1748542554 FAMZFYWGPVVMDK-UHFFFAOYSA-N 491.596 2.498 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCN1CCCCCC1=O 1748665186 OOOJUWBMNINIOW-SFHVURJKSA-N 461.570 2.443 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@@]2(N(C)C)CCSC2)c1 1748690155 NGDAOOBAHUZGAO-VWLOTQADSA-N 495.653 2.008 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1cnn(Cc2ccccc2)c1)[C@H]1CCS(=O)(=O)C1 1748803316 XEDFXAVOIWPRJB-NRFANRHFSA-N 466.611 2.495 30 10 JEEE C#CCN(c1nnc(COCC)n1CC(C)(C)c1ccc2c(c1)OCCO2)[C@@H]1CCS(=O)(=O)C1 1748823978 GNOVCLGPZGPSEL-LJQANCHMSA-N 488.610 2.190 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCC2(C1)OCCO2 1748857486 ANHBANZOTLXAME-WOJBJXKFSA-N 485.585 2.203 30 10 JEEE C#CCN(CC#CC)c1nnc(Cn2ccc3ccccc32)n1C[C@H]1CC(=O)N(CCOC)C1 1748901434 XKLLMHCOADBIEA-NRFANRHFSA-N 458.566 2.239 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCn2ccnc2C1 1748915031 NOPWMHAHHDYTSR-GOSISDBHSA-N 467.599 2.114 30 10 JEEE C#CCN1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CC(=C)Br)CC1 1748988743 AARVHZSWBZZKOK-UHFFFAOYSA-N 471.407 2.116 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCCCn2ccnc2C)CC1 1749010336 QHQJGKIICTUCQK-OAQYLSRUSA-N 453.591 2.471 30 10 JEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 1749020388 RBUOKPIJBMOANM-SFHVURJKSA-N 460.648 2.258 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCC2(CCN(C)C2=O)CC1 1749677508 BERZOKIHEJJGDZ-UHFFFAOYSA-N 466.586 2.225 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2(CCC)CCC2)C1 1749712906 NAKVZRVCDLHIJZ-RBUKOAKNSA-N 467.636 2.363 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(CNC(C)=O)CC1 1749741162 RGHVNUDYMVVTKW-WOJBJXKFSA-N 481.663 2.150 30 10 JEEE Cc1cc([C@@](C)(O)Cn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@@H](C#N)C2)c(C)o1 1751386764 HINMKIDTKIKPKE-AOMKIAJQSA-N 470.555 2.116 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1CC(=O)N(CCOC)C1 1760113055 PJRDLCMEBOZCIR-XUVXKRRUSA-N 488.633 2.345 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H]1CCCN(C(C)C)C1)[C@H]1CCS(=O)(=O)C1 1760189759 LQDKZUVJHWRFAG-IRLDBZIGSA-N 470.643 2.011 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccnc(SCC)c1)[C@H]1CCS(=O)(=O)C1 1760193360 XRCHKQJDBVZLJQ-ZWKOTPCHSA-N 461.613 2.312 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCCN2C[C@@H](C)C[C@H](C)C2)CC1 1760251722 GWIFWBHZOAAQFZ-VXKWHMMOSA-N 478.645 2.439 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCCCCO)CC1 1760259530 MZBCCBDDZHAFHE-HXUWFJFHSA-N 460.623 2.310 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(F)cc2)CC1 1760271159 NZDMNRIUUGLXPZ-UHFFFAOYSA-N 480.569 2.423 30 10 JEEE C#CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@H](C(=O)OC)C1 1760274797 TZIZSBSGOYDXDG-ZDUSSCGKSA-N 452.378 2.412 30 10 JEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1760432394 IXUJVNQJHCIVOW-KRWDZBQOSA-N 452.625 2.083 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1760518279 OKHLQMUVDJSISX-WOGXIUBCSA-N 471.558 2.037 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC(NC(=O)c2ccccc2C)CC1 1760524714 GZLPEQVDAJZMDC-UHFFFAOYSA-N 473.581 2.273 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@H](C)O[C@@H](C)C1 1760548228 BIXJAWGBUPTTLB-HOTGVXAUSA-N 482.006 2.076 30 10 JEEE CC(=O)N[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C2CC2)N(C)C)C1 1760643914 GXCYRPZPQVTSGW-RBBKRZOGSA-N 451.575 2.174 30 10 JEEE C[C@@H]1CCCN(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCC(S(C)(=O)=O)CC2)C1 1762920257 FQKYQABERKEDOG-LJQANCHMSA-N 486.642 2.474 30 10 JEEE CCc1nnc(N2CCN(c3oc(C4CC4)nc3C#N)CC2)n1CCN(C)CC(F)(F)F 1763095579 HDKBGEKFOZDICP-UHFFFAOYSA-N 452.485 2.398 30 10 JEEE CCCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1766204404 BJMZSBAKENSFGL-OSPHWJPCSA-N 452.559 2.099 30 10 JEEE COC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1767984593 BHYSAZFCZNEWKC-HXUWFJFHSA-N 495.628 2.287 30 10 JEEE COCCC1(Cn2c(-c3cccc(C#N)c3)nnc2N(C)C2CCN(S(C)(=O)=O)CC2)CC1 1770992383 DBCWOAJGJOANOS-UHFFFAOYSA-N 472.615 2.494 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1772659909 UQTAHJCHYVCXHQ-HNNXBMFYSA-N 499.424 2.409 30 10 JEEE C=CCNC(=O)NS(=O)(=O)c1ccc(CNC(=O)CCc2ccc(OC)c(OC)c2)cc1 1858643848 LBBRUHMBRJVCED-UHFFFAOYSA-N 461.540 2.127 30 10 JEEE COc1ccc(S(=O)(=O)CCC(=O)NC(C)(C)C(=O)Nc2ccc(C#N)cc2)cc1OC 1866804258 ISADRKQNJLBNFU-UHFFFAOYSA-N 459.524 2.273 30 10 JEEE C=CCN(CC=C)c1nc(NC(=O)COc2ccc(Cl)cc2)n([C@H]2CCS(=O)(=O)C2)n1 1870004883 OVDFGDUCZVLPBE-INIZCTEOSA-N 465.963 2.487 30 10 JEEE CCCCCCCOc1cn(CCCN2CCCC2=O)c(CN2CCN(CCO)CC2)cc1=O 1870408946 DULISDUKAKKLRF-UHFFFAOYSA-N 476.662 2.320 30 10 JEEE C=CCN=c1nc(Nc2ccc(N3CCN(C)CC3)cc2)[nH]c(N2CCN(c3ccccn3)CC2)n1 1871656958 KFPPGMJPCMMOMQ-UHFFFAOYSA-N 486.628 2.108 30 10 JEEE C=CCn1c(C(=O)NCCOC)cc2c(N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)ncnc21 1873591052 BTFKDNURJZGOHN-UHFFFAOYSA-N 465.514 2.228 30 10 JEEE COc1ccc2sc(N3CC(C(=O)N4CCC[C@@H](Oc5nccnc5C#N)C4)C3)nc2c1 1891600210 RXYQJYBLQWHYEA-MRXNPFEDSA-N 450.524 2.473 30 10 JEEE CC(C)(C)OC(=O)N[C@]1(C(=O)Nc2ccc(Br)c(C#N)c2)CCS(=O)(=O)C1 2180867118 RHEPONMWMLTSBJ-QGZVFWFLSA-N 458.334 2.341 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)NCCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2183288638 DXIBNIBTZVOQLR-XMMPIXPASA-N 460.380 2.016 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCOC[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2255620782 FDLGPLUHYGUHQX-GJZGRUSLSA-N 452.382 2.459 30 10 JEEE COCC[C@H](CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1)NC(=O)OC(C)(C)C 2255639580 PSVLIFIASWGMQA-CYBMUJFWSA-N 455.386 2.102 30 10 JEEE C=C(CS(=O)(=O)N1CC(CCNC(=O)OC(C)(C)C)(OC)C1)B1OC(C)(C)C(C)(C)O1 2255953963 QWRNFMULIIAFLF-UHFFFAOYSA-N 460.402 2.119 30 10 JEEE C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)n1 2256619495 ZJBPWHFNERTYPH-RISCZKNCSA-N 455.748 2.247 30 10 JEEE CC(C)(C)OC(=O)NO[C@H](C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1)C1CC1 2256619526 ZVEFIZLLQALYFJ-AWEZNQCLSA-N 453.370 2.293 30 10 JEEE CN(Cc1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(=O)C[C@H](O)CNC(=O)OC(C)(C)C 2256623792 SQEOJIVVHLHHFV-HNNXBMFYSA-N 454.398 2.281 30 10 JEEE Cc1cc(CNC(=O)[C@H](CCO)NC(=O)OC(C)(C)C)sc1B1OC(C)(C)C(C)(C)O1 2256680245 TVBYVRAFBPAPDT-HNNXBMFYSA-N 454.398 2.248 30 10 JEEE CC(C)(C)OC(=O)NC1(CNC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)CCOCC1 2267150161 BDWIIROXGNCZES-UHFFFAOYSA-N 467.397 2.246 30 10 JEEE CC(C)(C)OC(=O)NCCn1cc(NC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)cn1 2267162587 BJQVPFPKHPVZQE-UHFFFAOYSA-N 463.369 2.416 30 10 JEEE CO[C@@H]1C[C@@H](CNC(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)N(C(=O)OC(C)(C)C)C1 2267288053 YFROSAMHOBMFIN-LSDHHAIUSA-N 450.341 2.333 30 10 JEEE C=C(CN(C)C(=O)[C@H](C)N1CCN(C(=O)OC(C)(C)C)CC1=O)B1OC(C)(C)C(C)(C)O1 2268641442 BDCWIKIAGHJCHF-INIZCTEOSA-N 451.373 2.100 30 10 JEEE C[C@H]1COC[C@H](C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)N1C(=O)OC(C)(C)C 2268648364 YHPIMFVAUFZDEJ-DZGCQCFKSA-N 467.397 2.083 30 10 JEEE CC(C)(C)OC(=O)N[C@]1(CO)CCCN(c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2269008576 VKTSUYIECZZFFO-JOCHJYFZSA-N 451.348 2.376 30 10 JEEE Cc1c(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]3C[C@@H]23)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281798659 KUFGXZXDINBHSV-ARFHVFGLSA-N 460.384 2.155 30 10 JEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@@]12C[C@@H](CO1)N(C(=O)OC(C)(C)C)C2 2281799943 BXTBVRXUWUFTJZ-NPMXOYFQSA-N 462.352 2.395 30 10 JEEE CN(C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCC[C@H]1CNC(=O)OC(C)(C)C 2281977928 VYTFGBWTJVAFLH-DOTOQJQBSA-N 462.400 2.485 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](CNC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)CO1 2282171130 GHIVBRFLNPOGSO-CVEARBPZSA-N 461.368 2.040 30 10 JEEE Cc1nc(C(=O)N2CCOCC23CN(C(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)s1 2282518236 FDCDKGAYMPMHKM-UHFFFAOYSA-N 479.408 2.213 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)n1 2282552237 IMQFXYFCLTWZLH-HUUCEWRRSA-N 460.384 2.095 30 10 JEEE Cn1ncc(C(=O)NCc2ccc(NC(=O)OC(C)(C)C)nc2)c1B1OC(C)(C)C(C)(C)O1 2282570760 LIGJIVQCXCDVQF-UHFFFAOYSA-N 457.340 2.391 30 10 JEEE Cc1nn(C)c(C(=O)NCC2(C)CC(NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2282586122 UYSZOZHMUNFOJE-UHFFFAOYSA-N 462.400 2.451 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCCC12CN(C(=O)c1ncc(B3OC(C)(C)C(C)(C)O3)cn1)C2 2282623892 IRELKFYSVLYGQS-MRXNPFEDSA-N 458.368 2.295 30 10 JEEE Cn1nc(C(=O)NCC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2282628246 MLBYGFLYFFRCIO-INIZCTEOSA-N 462.400 2.486 30 10 JEEE CC(C)(C)OC(=O)N1CC(CCO)(CNC(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282685101 AFJNHBQCBXVXOY-UHFFFAOYSA-N 460.380 2.335 30 10 JEEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1C[C@H]2CC[C@H]1N(C(=O)OCc1ccccc1)C2 2282698942 GCSHEQIDWHCIAH-GUDVDZBRSA-N 495.389 2.034 30 10 JEEE CC(C)(C)OC(=O)NC1[C@H]2CC[C@H]1CN(C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)C2 2283058934 CBKVAFLMJJWVTH-GJZGRUSLSA-N 458.368 2.151 30 10 JEEE Cc1csc(CN(C)C(=O)[C@@H](CC(N)=O)NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2283951529 XQDUZDBQDHBTET-CQSZACIVSA-N 481.424 2.083 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)CO1 2283969566 JFPAPBNBDMMWAC-ZFWWWQNUSA-N 465.331 2.388 30 10 JEEE Cc1ccnc(C(=O)NCCN(CC(=O)O)Cc2ccccc2)c1B1OC(C)(C)C(C)(C)O1 2284468173 NAMYNOAONGSVIO-UHFFFAOYSA-N 453.348 2.006 30 10 JEEE C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)NCCc1c(F)cccc1B1OC(C)(C)C(C)(C)O1 2289659219 WVLFXUCDBGLPTM-KDOFPFPSSA-N 466.359 2.058 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1[C@H]2CC[C@H]1CC(NC(=O)OC(C)(C)C)C2 2362357826 RTOGSYOJESMGEX-HOTGVXAUSA-N 460.384 2.380 30 10 JEEE CC1(C)OB(c2sncc2C(=O)NC[C@@]23CN(Cc4ccccc4)C[C@H]2CCO3)OC1(C)C 2362576722 MWEYLRYZEMYEDQ-HOYKHHGWSA-N 469.416 2.463 30 10 JEEE CC(C)(C)OC(=O)NCCN1CCC(C(=O)O)(N2CCN(Cc3ccccc3)[C@@H](C#N)C2)CC1 2378980968 NWTMZDXAQDKECY-NRFANRHFSA-N 471.602 2.140 30 10 JEEE O=C(CSc1n[nH]c(NN=C2CCCCC2)n1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 20836398 AIDBGQJJTIBPQX-UHFFFAOYSA-N 493.615 2.288 30 10 JEEE CCNS(=O)(=O)c1ccc(NC(=O)CSc2n[nH]c(N/N=C(\C)c3ccccn3)n2)cc1 21082634 RGGPROHJWPNPFQ-ZMOGYAJESA-N 474.572 2.065 30 10 JEEE COc1cc2c(cc1OC)CN(C(=O)CSc1n[nH]c(N/N=C/c3ccc(O)cc3O)n1)CC2 58994312 OQGXIZLVSPZFET-AUEPDCJTSA-N 484.538 2.356 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](COc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 204868605 TUIWYGNDGTXLIT-DLBZAZTESA-N 490.410 2.306 30 10 JEEE COc1ccc(N2CCCC2=O)cc1S(=O)(=O)N1CCC(NC(=O)c2cccc(C#N)c2)CC1 586103090 CKURWQRVXWHVJV-UHFFFAOYSA-N 482.562 2.277 30 10 JEEE COCCn1cc(C=NNc2nc(SCCC(=O)Nc3ccccc3NC(C)=O)n[nH]2)cn1 1084014683 OPPRJUYXZGALDF-UHFFFAOYSA-N 471.547 2.173 30 10 JEEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1286353524 YGABRSXCKONPDP-SLFFLAALSA-N 475.590 2.384 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1CC1(S(C)(=O)=O)CCCC1 1286463220 BRKKROSXMJTNQG-UHFFFAOYSA-N 460.556 2.117 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H](CC)N2CCCC2)CC1 1286469478 GTYQJKYTRDMSCA-QFIPXVFZSA-N 484.048 2.491 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccccc2OC)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1286559268 VRSYMNUSAYOBDW-JXHRLWIKSA-N 489.642 2.329 30 10 JEEE C=C(C)COCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@H](C(N)=O)C1 1286601491 LBIXHPNEFRBCSL-KRWDZBQOSA-N 460.966 2.156 30 10 JEEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC([C@H]2CC2(F)F)CC1 1286608276 PDAQZYGAIWIBPR-QZTJIDSGSA-N 489.589 2.075 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1286789801 WXHMPYHFLVGMOZ-UHFFFAOYSA-N 454.550 2.292 30 10 JEEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1286824775 IOARLZJYUIALDH-UHFFFAOYSA-N 474.553 2.328 30 10 JEEE CO[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2ccc(C#N)cn2)CC1)C(C)C 1299714164 FNZIDBBPXVDDMV-OAQYLSRUSA-N 463.590 2.404 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)COC)c1 1300331310 ILIBESSAFBZCLM-KRWDZBQOSA-N 461.526 2.264 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCc1cccc(OCCC)c1)[C@@H]1CCS(=O)(=O)C1 1300491999 KSSLHCZGPVYHTN-OAQYLSRUSA-N 482.610 2.337 30 10 JEEE C#CCN(c1nnc(COc2cc(C)ccc2C(C)C)n1Cc1ncn(C)n1)[C@H]1CCS(=O)(=O)C1 1300505338 ZYPLPTHGSCPRCV-IBGZPJMESA-N 497.625 2.092 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2F)n1CCCN(CC)S(C)(=O)=O 1300519707 ABWMPEPKOYAIDI-UHFFFAOYSA-N 451.955 2.482 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CC2CN(C(=O)OC(C)(C)C)C2)CC1 1300719469 CAHGCHKBAFMCMJ-UHFFFAOYSA-N 479.585 2.173 30 10 JEEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@@H](OCCOC)C1 1300756985 YKSOVBYTNNNCQK-GOSISDBHSA-N 482.610 2.190 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCOC2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1300885756 SKLOGLQIEREHJP-BJLQDIEVSA-N 467.636 2.061 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1300894910 JSDNQFDLDDFIOR-SYAJIYQZSA-N 482.647 2.387 30 10 JEEE CC(=O)c1ccc(S(=O)(=O)NCCC(=O)NC2(c3cccc(C#N)c3)CCOCC2)cc1 1300989153 HNHPFXLPZWALNQ-UHFFFAOYSA-N 455.536 2.251 30 10 JEEE C=C(C)COCCn1c(Cc2ccccc2OC)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1300994602 XHTGZUFLWOFRHS-VWLOTQADSA-N 482.585 2.285 30 10 JEEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)NC2CCCCC2)CC1 1301251462 DSTYBUMXOSNSIQ-HXUWFJFHSA-N 458.607 2.487 30 10 JEEE COC[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCS(=O)(=O)C2)C1 1301281392 ANPHFPOYSIZTHL-RBUKOAKNSA-N 459.572 2.026 30 10 JEEE COC[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCOC[C@@H]2C)C1 1301282038 GSXZDNNTYOFNOZ-PZJWPPBQSA-N 454.575 2.312 30 10 JEEE C=CCN(CC=C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCCCS1(=O)=O 1301379844 VSPNBQRVWSCQQD-LJQANCHMSA-N 454.560 2.067 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1301492270 COKKUPOAZZZPTO-NYHFZMIOSA-N 473.965 2.399 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCCN(C(C)=O)CC1 1301575296 DGPXFMCPMLMXMT-UHFFFAOYSA-N 483.541 2.206 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Br)s2)nnc1N1CCO[C@H](C#N)C1 1301576711 ZAVDNRFXNUEACA-GFCCVEGCSA-N 472.390 2.099 30 10 JEEE COCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1301822007 AGBHPSMNYYGVNH-UHFFFAOYSA-N 472.500 2.433 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@@H]1CCOC[C@@H]1C 1303407546 GFBJFSTZYZFDSO-UGKGYDQZSA-N 465.602 2.283 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCSCc1ccccc1)[C@H]1CCS(=O)(=O)C1 1358963807 OITVCJHEFWLXIY-UXHICEINSA-N 460.625 2.342 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCCO[C@@H]2C(C)C)CC1 1359038079 JTXHXUJBPXIXPT-SIKLNZKXSA-N 470.643 2.476 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2CC2(O)CCCC2)CC1 1359045490 JJIKVCAVKZPKTG-UHFFFAOYSA-N 457.525 2.418 30 10 JEEE C=C(Cl)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(Cc2nc(COC)no2)CC1 1359145102 FXZWLDGDRMUOKB-UHFFFAOYSA-N 454.922 2.421 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[C@H](N2CCOCC2)C(F)(F)F)CC1 1359178368 PMEVAGOHXJOYQS-IRXDYDNUSA-N 456.513 2.285 30 10 JEEE C=CCC(C)(C)Cn1c(C)nnc1N1C[C@@H]2[C@@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1359183611 PMECCMRZHNLKGB-IKGGRYGDSA-N 453.609 2.315 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1359294299 PUMTUFCUOMFIKO-HOTGVXAUSA-N 492.330 2.133 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCn2c(C)nc3ccccc32)C1 1359313393 LGPHEORFWCJTSO-WMZOPIPTSA-N 473.603 2.028 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1c1ccccc1C 1359333005 MDRLHPBSKLDLBA-AZUAARDMSA-N 478.640 2.431 30 10 JEEE C=CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@]2(CCC(=O)N2)C1 1359342926 HXZUARIYWCZFKB-GAJHUEQPSA-N 492.646 2.365 30 10 JEEE Cc1ccc(C#N)cc1S(=O)(=O)N1CCN([C@@H]2CCCN(Cc3ccccc3)C2=O)CC1 1463697002 FYDXTUGVBWWMFC-JOCHJYFZSA-N 452.580 2.364 30 10 JEEE C=CCCO[C@H](C)C(=O)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1469000957 BIONCANDGVUCRP-NZSAHSFTSA-N 450.580 2.362 30 10 JEEE N#C[C@H]1CN(c2nnc(-c3cc(F)ccc3Br)n2CCS(=O)(=O)CC2CC2)CCO1 1505321063 FLYORGNIIPWEQH-HNNXBMFYSA-N 498.378 2.400 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1507517097 GARNGQFAZFWYIZ-AZXNSQLWSA-N 473.597 2.123 30 10 JEEE C#CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1507564527 RLSIACREWJWNAK-ZWKOTPCHSA-N 483.635 2.259 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1Cc1cc(C)cc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1507621767 CDFKKVIWEAMTLW-HXUWFJFHSA-N 487.626 2.189 30 10 JEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1CC1(O)CC(OCC)C1)[C@@H]1CCS(=O)(=O)C1 1507632904 BLUKZWWCWASDME-RZFJCUDFSA-N 493.029 2.079 30 10 JEEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(NC(=O)[C@H]2CCCO2)c1 1507675866 GPCMHXVDRIYSMX-HXUWFJFHSA-N 450.543 2.139 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccnc2)n1CCN1CCN(C(C)=O)CC1 1507700560 RGBKIJVIXRWRMM-UHFFFAOYSA-N 461.545 2.283 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CC=CCO1 1507711346 UIVTXFYPMFHNGO-RBUKOAKNSA-N 461.563 2.018 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCCOC2)CC1 1507734150 HPLODBHFQZGVRY-QGZVFWFLSA-N 452.515 2.246 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC(C)(C)C(=O)NCC)CC1 1507734980 GJXNZOARVJYKCG-UHFFFAOYSA-N 471.993 2.122 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CCN(CC)C(=O)OC(C)(C)C)CC1 1507741564 WVELPYQOMZYJDL-UHFFFAOYSA-N 462.595 2.037 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2F)nnc1N1CCN(CC(=O)N(C)C)CC1 1507797682 SJNACLIMGZFWRY-AVRDEDQJSA-N 456.566 2.276 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(Cl)=C(Cl)C1 1507869861 ZMFAWNTUIROUAZ-ZDUSSCGKSA-N 456.783 2.263 30 10 JEEE C=C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2cccc(S(=O)(=O)NC)c2)CC1 1507890190 KAJMDVSLHTWJNI-ICSRJNTNSA-N 461.588 2.115 30 10 JEEE C=CCCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCO[C@@H](C(=O)NC)C1 1507930380 BCHIMQRPDRPETP-HXUWFJFHSA-N 479.585 2.373 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c(-c2cnccn2)nnc1N1CC[C@]2(CNC(=O)C2)C1)C(C)C 1508015045 ZWYBZBWLKITWMW-YKSBVNFPSA-N 450.591 2.150 30 10 JEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1508086549 ZXXBZWHPJGKTKO-UHFFFAOYSA-N 480.573 2.273 30 10 JEEE C=CCNC(=O)Cn1c(N2CC[C@H](C)[C@H](OC)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1508097694 JXUZVKFOQMVCPU-WNRNVDISSA-N 462.595 2.212 30 10 JEEE C=CCOc1ccc(Cn2c(N3CC[C@@](C)(C(N)=O)C3)nnc2[C@]2(OCC)CCOC2)cc1 1508104771 NHHQHXORVYBFSQ-RPWUZVMVSA-N 455.559 2.245 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1CC[C@]1(O)C[C@H]2CC[C@H]1C2 1510153137 COTHERYYEAMPGH-LLPLAXKASA-N 472.615 2.338 30 10 JEEE C=CCOc1ccccc1CN(C(=O)CN1CCC(=O)NC1=O)c1ccc2c(c1)OCCO2 1522211588 DORWUMUIESDZKG-UHFFFAOYSA-N 451.479 2.498 30 10 JEEE C#C[C@H]1CC[C@H](NC(=O)CCC(=O)N2CCN(S(=O)(=O)c3cc(C)ccc3C)CC2)CC1 1537356738 MHWYBUHBUIXDHH-MEMLXQNLSA-N 459.612 2.225 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3OCC[C@H]3COC)n2CCc2cn[nH]c2)c1 1539046313 QVZQDRPUPKQEKJ-UGKGYDQZSA-N 463.542 2.024 30 10 JEEE C#CCN(c1nnc(C(C)C)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1539203814 VKPVYKQVFVLISI-ROUUACIJSA-N 465.620 2.428 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CC(C)(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1539205638 JDQJOEXDDGNRPC-AVRDEDQJSA-N 452.621 2.239 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1Cc1ccc(OC)nc1)[C@@H]1CCS(=O)(=O)C1 1539210277 AWDGPWJGKGNLGU-LJQANCHMSA-N 467.551 2.032 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1Cc1ncccc1C)[C@H]1CCS(=O)(=O)C1 1539211370 IFRHXDWARLNDQR-IBGZPJMESA-N 481.578 2.341 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1CCCOC[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 1539219989 PAUGLARIWADQCQ-OALUTQOASA-N 452.621 2.079 30 10 JEEE C#CCN(c1nnc(Cn2ccc3ccccc32)n1CC(O)(CC)CC)[C@@H]1CCS(=O)(=O)C1 1539229217 AKMHFOJEMINPAA-HXUWFJFHSA-N 469.611 2.459 30 10 JEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](C)Oc2cccc(OC)c2)CC1 1539460159 YNGNLMCIFNXFRS-OAQYLSRUSA-N 463.586 2.371 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CC[C@@H](C(F)F)N2CCOCC2)CC1 1539480499 AKQXLBYYWNZLLH-IBGZPJMESA-N 480.604 2.189 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC(C)C)CC1 1539483104 ZFVPAMJNZRGUOW-IBGZPJMESA-N 474.606 2.208 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1539489008 PLNBVTLDSYSFCG-JOCHJYFZSA-N 492.624 2.390 30 10 JEEE C#CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1539507461 XCVCEKMVPUDSMV-FQEVSTJZSA-N 482.654 2.453 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](N(C)Cc2ccccc2)C1 1539518297 XHLJIUNSPGDYOT-NHCUHLMSSA-N 473.668 2.257 30 10 JEEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2ccnc(C)n2)CC1 1539759260 ZTDLGBPISUNCQY-UHFFFAOYSA-N 451.579 2.157 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCCS(=O)(=O)C1 1540122121 PRFXMMUQADGQHU-PMACEKPBSA-N 468.583 2.118 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCCO[C@@H](C)C1 1540870473 OEJZINXADVQTBU-ROUUACIJSA-N 462.595 2.310 30 10 JEEE Cc1cc(C)n(CC(=O)N2C[C@H]3CN(c4ccc(C#N)c(C(F)(F)F)c4)CC[C@@]3(CO)C2)c(=O)n1 1548366397 NCVSVKHCYXHJLU-JPYJTQIMSA-N 489.498 2.098 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCCc1ccc(OCCN2CCN(C(C)=O)CC2)cc1 1563911265 YZXHMOYBIZCFIP-ISKFKSNPSA-N 458.603 2.052 30 10 JEEE C#CCCCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1587865466 PHHBUOZZPCNDSG-OAHLLOKOSA-N 454.485 2.092 30 10 JEEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1CCCCSC)[C@@H]1CCS(=O)(=O)C1 1588065394 YDMGYWCERARZMW-LJQANCHMSA-N 472.640 2.287 30 10 JEEE C#CCN(c1nnc(CCOc2ccccc2)n1C[C@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1588070104 WPUWLHHZMIPCSO-TZIWHRDSSA-N 458.584 2.095 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1cnn(CCOC)c1 1588133552 IIKFMZCRNOLGFT-NRFANRHFSA-N 481.601 2.357 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CC2CCC(OC)CC2)CC1 1588955187 QBCCUPZMEABBHO-UHFFFAOYSA-N 450.587 2.435 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCCc2ccccc2)nnc1N1CCO[C@H](C(=O)NC)C1 1589556163 AOPNVMUFQSNCBN-GIWBLDEGSA-N 453.587 2.386 30 10 JEEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1593736037 VSGRYIZTEGMGBG-UHFFFAOYSA-N 483.598 2.147 30 10 JEEE C=C(Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC=C(COC)CC1)c1ccccc1 1593789408 MLADPIVBCOZAQZ-OAQYLSRUSA-N 473.599 2.107 30 10 JEEE C=C(Cl)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)CCS(=O)(=O)CC 1593807054 HSNNTGQANJXCEV-UHFFFAOYSA-N 460.387 2.485 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)Nc2ccccn2)n1CCS(C)(=O)=O 1595119890 JEHHOJVADQZCFK-UHFFFAOYSA-N 458.519 2.302 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1595602706 PBYRWJRNFDTIGB-CUXKYVRBSA-N 474.650 2.046 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2nc(C(F)(F)F)cs2)C1 1595675030 WQMGBMHGXOBXCT-QWHCGFSZSA-N 494.565 2.388 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc3ccccc3o2)nnc1N1CCC[C@@H](C(=O)NC)C1 1595766527 RITHAPJLHWUITR-QGZVFWFLSA-N 457.556 2.255 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1595766622 UWXQLLSGHJNKNE-LJQANCHMSA-N 496.655 2.201 30 10 JEEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(F)cc2)CC1 1595844621 FOJPGLDXWLKCGN-MRXNPFEDSA-N 468.624 2.273 30 10 JEEE CC(=O)N1CCC[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N(CCO)CCOCC(F)(F)F)C1 1596049837 DXPTVHMFEVAFIV-IBGZPJMESA-N 494.518 2.453 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1CCN(C(C)=O)CC1 1689852823 LDNBUHXMDQQXKM-FXAWDEMLSA-N 474.606 2.303 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1ccc(OC(C)C)nc1)[C@H]1CCS(=O)(=O)C1 1689989331 DHMLXLIBWMSIQG-PMACEKPBSA-N 473.599 2.377 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1Cc1ccc(OC)nc1)[C@@H]1CCS(=O)(=O)C1 1689996830 PLKXRPWBJVMZQM-LJQANCHMSA-N 485.541 2.075 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[C@H]2CCO[C@@H](C)C2)CC1 1690114602 ABOJSYPARVKALH-PMACEKPBSA-N 471.627 2.309 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCN2C[C@H](C)O[C@@H](C)C2)CC1 1690135191 QYLADJLYKDDAFN-MYDTUXCISA-N 472.678 2.451 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2sc(C)nc2C)CC1 1690137335 VKOULAFCBPOWNR-UHFFFAOYSA-N 471.631 2.284 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCO[C@@H]2CCOC2)CC1 1690140185 PQNCMERCCFPNCB-LJQANCHMSA-N 472.977 2.155 30 10 JEEE C=CCOc1ccc(Cn2c(N3CCN(C(=O)C(=O)NC(C)C)CC3)nnc2C(C)(C)C)cc1 1690681556 TWBNEZJJALCPEO-UHFFFAOYSA-N 468.602 2.362 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccn2)CC1 1690682627 UNOZCJZMEWZVCW-IBGZPJMESA-N 497.625 2.223 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCN(CC(C)C)C(=O)C1 1690725568 UULZXEKTOAZHKU-UHFFFAOYSA-N 459.616 2.083 30 10 JEEE C#CCCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1705508300 MGAWMUMKSVMPRX-UHFFFAOYSA-N 465.606 2.240 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1705583509 ZTEULBQDMGLVCK-BZSNNMDCSA-N 487.548 2.053 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCS(C)(=O)=O 1705716486 MNMPPNPYWKNQMZ-KRWDZBQOSA-N 471.624 2.424 30 10 JEEE C=C(Cl)Cn1c(N2CCCN(CC(=O)N(CC)CC)CC2)nnc1[C@]1(OC(C)C)CCOC1 1705761081 ZRGDGZBMMOSNLO-QHCPKHFHSA-N 483.057 2.452 30 10 JEEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ccc(F)cn2)CC1 1705825525 WCRDRJMKVSCDBH-UHFFFAOYSA-N 466.521 2.379 30 10 JEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCN(C(=O)C2CC2)CC1 1705891005 UUOMYMLLXGSDPF-SFHVURJKSA-N 460.579 2.221 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCN2CCOCC2(C)C)C1 1705916784 NKIVFIUGXDYPNO-YKSBVNFPSA-N 463.623 2.211 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@@H](C(C)C)C1 1705934636 RSKSTMJPMFGPMI-QGZVFWFLSA-N 480.660 2.321 30 10 JEEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2sc(C)nc2C)C1 1710345218 CVJQWHVUEGHNJD-GOSISDBHSA-N 471.612 2.456 30 10 JEEE CN(CCN1CCOC(C)(C)C1)c1nnc(COc2ccc(C#N)cc2)n1CCC(C)(C)O 1711219426 AHJDHVONDNAOFZ-UHFFFAOYSA-N 456.591 2.437 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1CCN(C)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1722359692 ACNMUZWIGKXANX-OAQYLSRUSA-N 466.611 2.042 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1CCOc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1722360269 FTGXCEDXPWKUGH-GOSISDBHSA-N 455.515 2.185 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCCCN1CCC)[C@H]1CCS(=O)(=O)C1 1722366200 HGONKKMTGGYWRD-HKBOAZHASA-N 463.648 2.063 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1NC(=O)CC1(C)C 1722390192 PBVXLLPXRQSJOB-IBGZPJMESA-N 466.973 2.239 30 10 JEEE C=CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1722608239 ZHEQLPITDVRTIP-SFHVURJKSA-N 452.625 2.167 30 10 JEEE CCNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cnccn2)CC1 1728645322 IFHCCZZKLZKYTB-UHFFFAOYSA-N 459.558 2.096 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1C[C@H](c1cccc(C)c1)N1CCOCC1 1740557037 HNJRKRKJPHQFGG-IFMALSPDSA-N 450.587 2.240 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OCC)CCOC3)n2Cc2cc(C)nn2C)c1 1740561362 CXRLYYROYMBXLO-RUZDIDTESA-N 477.569 2.077 30 10 JEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1C[C@@]1(OC)CCOC1)[C@H]1CCS(=O)(=O)C1 1740620821 YFEPPQFVZJJNTE-RXVVDRJESA-N 464.975 2.031 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@H]1CCSC1)[C@@H]1CCS(=O)(=O)C1 1740625999 QZPPBHULDCTZOB-IEBWSBKVSA-N 460.625 2.257 30 10 JEEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1CCc1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 1740626738 YRTOBUFYPBAENZ-HXUWFJFHSA-N 497.646 2.447 30 10 JEEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CCCN1C(=O)OC(C)(C)C 1740632603 MMRJRIWADPIIMD-DVECYGJZSA-N 457.575 2.403 30 10 JEEE C#CCSCCn1c(COc2ccccc2OC)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1740722324 GQZPIASVOYUJHE-OAQYLSRUSA-N 485.610 2.060 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCN1CCOC1=O 1740731984 NQBLFQQTLUQGJC-MHECFPHRSA-N 488.589 2.421 30 10 JEEE C=CC[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)NCC)CC1)c1ccccc1 1740853347 BKKQBVONADUPEN-QUCCMNQESA-N 489.646 2.100 30 10 JEEE C=CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1740871141 RNXZHRBTGUSXMO-UHFFFAOYSA-N 462.396 2.403 30 10 JEEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1740962969 VGCGDVBEIRHASF-UHFFFAOYSA-N 497.669 2.378 30 10 JEEE C[C@@H]1CN(C(C)(C)Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(CCC#N)CC2CC2)C[C@@H](C)O1 1743196670 BXPWWCKJFPGYBN-GGPKGHCWSA-N 478.663 2.198 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@]1(N(C)C)CCSC1 1748666175 ZOESNWSDBFEVRZ-IIBYNOLFSA-N 461.661 2.133 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1748817355 JMXSQTWICALLMQ-SLFFLAALSA-N 479.691 2.381 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1Cc1ccn(Cc2ccccc2)n1)[C@@H]1CCS(=O)(=O)C1 1748818140 WHDAZTMEHWYDST-JOCHJYFZSA-N 466.611 2.396 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1Cc1nc(C)cs1)[C@@H]1CCS(=O)(=O)C1 1748818820 HCIUFACBLBAHSO-GOSISDBHSA-N 471.608 2.317 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1CCOc1ccc(F)c(F)c1)[C@H]1CCS(=O)(=O)C1 1748820622 GFWLKBNCUNDJGZ-INIZCTEOSA-N 450.511 2.215 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CC1(N2CCSCC2)CCCCC1 1748959966 BYENUEJTFPYKQP-IBGZPJMESA-N 460.648 2.067 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2CCC(=O)N2CCCCC2)CC1 1748999388 SUNPMTIJWXWQIU-UHFFFAOYSA-N 466.586 2.024 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC(C(=O)Nc2ccccc2)CC1 1749676569 VJJWEDGEOLXFMG-UHFFFAOYSA-N 459.554 2.421 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(Cc2cc(C)no2)CC1 1749683031 HHMFODRNYPQQEO-TZIWHRDSSA-N 471.606 2.118 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCO[C@H](c2ccc(F)c(F)c2)C1 1749734149 FJEHGVKITRMASA-LPHOPBHVSA-N 468.526 2.239 30 10 JEEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(F)c(F)c1 1749755508 ICAXONADFXWJSQ-SFHVURJKSA-N 487.598 2.445 30 10 JEEE CC(C)CN1C[C@@H]2CN(c3nnc(COc4ccc(C#N)cc4)n3C[C@@H](C)N(C)C)CCN2C1=O 1750829451 AWHIKBFZRINHBL-CTNGQTDRSA-N 480.617 2.261 30 10 JEEE CC(C)N1CCC[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCCN(S(C)(=O)=O)CC2)C1 1750898328 HDLQEHPSTBKFGI-OAQYLSRUSA-N 485.658 2.409 30 10 JEEE Cc1ccc(CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@H](C)CC#N)c(C)c1 1751502429 DSOGLVFIMMIEFS-UYAOXDASSA-N 460.604 2.209 30 10 JEEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1760129667 VEHXLGUHZQKFEN-WOJBJXKFSA-N 451.575 2.276 30 10 JEEE C#CCN(c1nnc(COCC)n1C[C@H]1CCCN1C1CCCCC1)[C@H]1CCS(=O)(=O)C1 1760191861 AOXGPHZDLHKHTF-RTWAWAEBSA-N 463.648 2.238 30 10 JEEE C#CCSCCn1c(Cc2ccsc2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1760283263 HPPZTUYHODWROZ-UHFFFAOYSA-N 472.684 2.431 30 10 JEEE C=C(C)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(CC(=O)NCC)CC1 1760345607 JJYPUBWLNMDHAA-IBGZPJMESA-N 475.638 2.227 30 10 JEEE C=CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1760421291 JZPGMLZXYKASTN-SFHVURJKSA-N 460.966 2.169 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1760519952 VSJLRJVYPWKVFA-GOSISDBHSA-N 482.585 2.007 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(CC(F)F)CC1 1760548477 HNGIKNUHLAZQGO-UHFFFAOYSA-N 496.584 2.135 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3ccccc3n2)nnc1N1CC[C@@H](C(=O)OC)C1 1760552917 GHTZCMUVTALTNZ-QGZVFWFLSA-N 455.540 2.093 30 10 JEEE COC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(N(C)C)CCOCC2)CC1 1767897066 ANMCIGUTXZBBIW-UHFFFAOYSA-N 452.559 2.317 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2ccccn2)n1C[C@H]1CCS(=O)(=O)C1 1769818960 GOPXSPYNGILUAL-HXUWFJFHSA-N 466.567 2.299 30 10 JEEE N#Cc1ccccc1S(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc3c(c2)OCO3)nc1 1858293329 XIVIWABEKLTQPA-UHFFFAOYSA-N 458.477 2.284 30 10 JEEE COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2C[C@@H](C)O)cc(OC)c1OC 1862612085 APGXHXARRBLUST-LRTDBIEQSA-N 485.489 2.443 30 10 JEEE C=CCOc1ccccc1[C@@H]1C(C(=O)NCCN2CCOCC2)=C(N)Oc2c1c(CC)nn2CC 1864327746 XTFRCCKFASQVIQ-NRFANRHFSA-N 481.597 2.173 30 10 JEEE C=CCOc1ccccc1[C@H]1C(C(=O)N[C@@H](C)c2ccccc2)=C(N)Oc2c1c(=O)n(C)c(=O)n2C 1865726080 IYJQENZQEANBIT-JXFKEZNVSA-N 488.544 2.221 30 10 JEEE C=CCN(CC=C)c1nc(NC(=O)/C=C\c2ccc3c(c2)OCCO3)n([C@H]2CCS(=O)(=O)C2)n1 1870002044 ALLOVNARRSLGLO-POZKEBTKSA-N 485.566 2.239 30 10 JEEE COc1ccc(N2C[C@@H](c3nnc(SCCO)n3/N=C/c3ccc(O)c(OC)c3)CC2=O)cc1 1874198000 JUKOUIALQFUFFA-CBFMJHRQSA-N 483.550 2.488 30 10 JEEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@H]1C(=O)N1CCC[C@@H](COc2cc(C#N)ccn2)C1 1892001475 RDIOHIDWYPTHCZ-MOPGFXCFSA-N 473.555 2.029 30 10 JEEE CC1(C)OB([C@@H]2[C@@H]3CN(S(=O)(=O)CCCN4C(=O)c5ccccc5C4=O)C[C@@H]32)OC1(C)C 1978281208 JCAKXSFSJZPXIQ-BCDXTJNWSA-N 460.361 2.027 30 10 JEEE C=C(I)CN=[S@@](=O)(N(C)C)N1CCN(C(=O)OC(C)(C)C)CC1 1992152624 HEIUZAJXAIGXFD-HSZRJFAPSA-N 458.366 2.347 30 10 JEEE [N-]=[N+]=NCCOCCOCCN(CCCOCCOCCS)CCOCCOCCN=[N+]=[N-] 2049382521 YWIFHUFWDHKWSF-UHFFFAOYSA-N 493.631 2.329 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](C(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)OCC12CC2 2206629673 UCTVTOJJGNPGEY-INIZCTEOSA-N 459.352 2.488 30 10 JEEE C#CC(CO)(CO)NC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C)CC 2245469298 BRHLZSNHIBOHSZ-SBUREZEXSA-N 450.535 2.413 30 10 JEEE CN(C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCN(C(=O)OCc2ccccc2)C1 2255538000 DRQVOLRONNJVIY-GOSISDBHSA-N 468.363 2.202 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](O)CN1C(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2255538430 KQDCYPKTNZIVPC-UONOGXRCSA-N 452.382 2.147 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H](O)CNC(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2255638712 BJSFRWOHVYPXCZ-ZDUSSCGKSA-N 454.760 2.255 30 10 JEEE CO[C@@H]1CN(C(=O)c2csc(B3OC(C)(C)C(C)(C)O3)c2)C[C@@H]1NC(=O)OC(C)(C)C 2255844706 ASKHSUCSEWIYBT-LSDHHAIUSA-N 452.382 2.411 30 10 JEEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)[C@@H]2C[C@H]21 2255947897 FQIFEGZBPRHTRP-HUUCEWRRSA-N 470.422 2.430 30 10 JEEE CC(C)(C)OC(=O)N1[C@@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)CCC1(C)C 2256620681 LFVFWTUXVHYADY-GFCCVEGCSA-N 452.386 2.376 30 10 JEEE CC(C)(C)OC(=O)NCC1(O)CC(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C1 2256623428 DWPFOXOQSFHTAS-UHFFFAOYSA-N 453.370 2.047 30 10 JEEE CCC[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)c(C)nn1C 2267145879 JFWDLBDSXFGMBX-OAHLLOKOSA-N 450.389 2.451 30 10 JEEE CCN(C(=O)OC(C)(C)C)C1CN(C(=O)c2nn(C)c(Cl)c2B2OC(C)(C)C(C)(C)O2)C1 2267180593 GNHHWTMNHOEFBD-UHFFFAOYSA-N 468.791 2.454 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)Nc1ccc(Cl)cc1B1OC(C)(C)C(C)(C)O1 2268633399 RXTLAQVFKUAQIR-HNNXBMFYSA-N 467.759 2.346 30 10 JEEE COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1NC(=O)[C@H](O)CCNC(=O)OC(C)(C)C 2268701356 OKPHFEBDAYODFG-MRXNPFEDSA-N 450.341 2.209 30 10 JEEE C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)CO1 2268715487 ITADUXAWEVAPFG-HIFRSBDPSA-N 467.397 2.083 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@](C)(NC(=O)C(F)(F)F)C2)c1 2281817597 ONWVNUDQEZTLSK-FQEVSTJZSA-N 456.270 2.278 30 10 JEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC2(NC(=O)OC(C)(C)C)CCCCC2)n1 2281951653 MCQHLTLQPYQTPX-UHFFFAOYSA-N 463.388 2.072 30 10 JEEE CCn1ncc(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 2281966321 OMJOSOUEKRYCSO-QLPKVWCKSA-N 460.384 2.140 30 10 JEEE CCc1nn(C)c(C(=O)NCC2(N(C)C(=O)OC(C)(C)C)CC2)c1B1OC(C)(C)C(C)(C)O1 2281986011 NNJJQFDVICUGJC-UHFFFAOYSA-N 462.400 2.411 30 10 JEEE CCc1nc(C(=O)NC2(CCO)CN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2282031516 TUASFCJKVKDCHG-UHFFFAOYSA-N 481.424 2.106 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(C)C[C@@H]1CNC(=O)OC(C)(C)C 2282057565 IVWUXAKMVXGZFJ-HNNXBMFYSA-N 480.440 2.032 30 10 JEEE Cn1cc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C2CC2)c(B2OC(C)(C)C(C)(C)O2)n1 2282066740 LEIZMZSVLPKNNA-IRXDYDNUSA-N 460.384 2.237 30 10 JEEE CC1(C)OB(c2cccc(S(=O)(=O)NC[C@H]3CCCN(C(=O)C(F)(F)F)C3)c2)OC1(C)C 2282345161 NXMUPJYLMHJZSR-CQSZACIVSA-N 476.326 2.065 30 10 JEEE CN(C[C@@H](O)CN(C)C(=O)c1cccc(F)c1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2282397144 KBZOQYKAASMEOP-HNNXBMFYSA-N 466.359 2.425 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@]2(NS(=O)(=O)c2ccc(F)cc2B2OC(C)(C)C(C)(C)O2)C1 2282508548 XUGHFBQBPJPPEH-RCDICMHDSA-N 482.383 2.413 30 10 JEEE Cn1nc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)[C@@H]3CCC[C@@H]23)cc1B1OC(C)(C)C(C)(C)O1 2282614962 LRVDTEMKIAJEBL-USXIJHARSA-N 460.384 2.237 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1CC[C@@H]2NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2282628459 NQJVHJSKVVNGLT-OIISXLGYSA-N 458.368 2.294 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2OCCN(C(=O)c3ccccc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2282648620 QGZWPTAZQRXVPW-OALUTQOASA-N 458.364 2.446 30 10 JEEE CC[C@](C)(CNC(=O)OC(C)(C)C)N(C)S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282841976 RCJDYBSDHFJWFJ-OAQYLSRUSA-N 486.444 2.033 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1CCC[C@H]1NS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282864734 KDOPCXYETIRFBA-CRAIPNDOSA-N 481.424 2.353 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CCO)C(=O)NCCc1c(F)cccc1B1OC(C)(C)C(C)(C)O1 2289666007 SGCYZVWYUMMBGH-GOSISDBHSA-N 466.359 2.059 30 10 JEEE CN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1)[C@H]1CN(C(=O)OC(C)(C)C)CC1(C)C 2289957117 NWTAMRZCSIRJQE-INIZCTEOSA-N 462.400 2.437 30 10 JEEE COC(=O)c1[nH]c(C)c(C(O)=C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2cccc(OC)c2OC)c1C 2296103091 OSTXKLNZRCWPBJ-FQEVSTJZSA-N 485.537 2.419 30 10 JEEE COc1[nH]c(=NCC2CN(C(=O)OCc3ccccc3)C2)ccc1B1OC(C)(C)C(C)(C)O1 2301564058 FEDLSGONTMVCEP-UHFFFAOYSA-N 453.348 2.492 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H](NC(=O)OC(C)(C)C)C(C)(C)C)n1 2336901561 JLFBMMVRISDBHF-HNNXBMFYSA-N 450.389 2.389 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)n1C 2362333497 UDTDLSHDKDLYEQ-GDBMZVCRSA-N 462.400 2.403 30 10 JEEE Cc1cccc(C)c1-n1c(=O)/c(=C/c2ccccc2Br)s/c1=C(/C#N)C(N)=O 3281291 GELCWFWQVZCKQH-DEOMVRDJSA-N 454.349 2.267 30 10 JEEE Cc1c(C)c(S(=O)(=O)N/C(=N\CCO)NC(=O)OC(C)(C)C)c(C)c2c1OC(C)(C)C2 104840762 UXYSKCWSCQXVLZ-UHFFFAOYSA-N 455.577 2.477 30 10 JEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCCN(c3ccc(C(F)(F)F)cn3)CC2)c1 105314292 KVBUQMGSKVRRNL-UHFFFAOYSA-N 466.485 2.364 30 10 JEEE C=CCOC(=O)C1=C(C)N=c2sc(=Cc3ccco3)c(=O)n2[C@H]1c1ccc(OC(C)=O)cc1 254758381 LEISFVWGZRXPRG-NRFANRHFSA-N 464.499 2.483 30 10 JEEE CN1C(=O)COc2ccc(C(=O)C[S@](=O)CC(=O)Nc3sc4c(c3C#N)CCC4)cc21 586300408 VQOMKEQDBRIIMG-HKBQPEDESA-N 457.533 2.034 30 10 JEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CN1C(=O)N[C@](C)(c2ccc(F)c(Cl)c2)C1=O 1130625802 DQNMRVBACIKUQL-OAQYLSRUSA-N 451.882 2.050 30 10 JEEE C=CCn1c(S)nc2cc(C(=O)NCc3ccccc3CN3CC[C@H](O)C3)ccc2c1=O 1154063243 RWQZMBSNBDVTPW-IBGZPJMESA-N 450.564 2.368 30 10 JEEE CCn1cc([C@H]2C[S@@](=O)CCN2C(=O)COc2ccc(C#N)c(Br)c2)cn1 1156440511 HEGJYSJVNHCGEQ-CRYYWNKWSA-N 451.346 2.248 30 10 JEEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccccc2-c2cc(F)c(F)c(F)c2)CC1 1215629225 AUZBXMRPNXTNTL-UHFFFAOYSA-N 452.458 2.388 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1286276685 YJUNVXWEFQCQKC-FPOVZHCZSA-N 459.554 2.284 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC[C@H](C(F)F)N1CCOCC1 1286285887 RGEFGFYQZVJQSP-FUHWJXTLSA-N 495.600 2.052 30 10 JEEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC2CCCC2)cc1 1286376813 OBNMOHWQCXPVRR-NRFANRHFSA-N 473.599 2.050 30 10 JEEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1CC1(CC)CCC1)[C@@H]1CCS(=O)(=O)C1 1286392311 BHENGXCNDOTCFE-QGZVFWFLSA-N 475.640 2.477 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@](C)(O)c1cc(C)oc1C 1286400581 CLNRBTLVDABQIF-VWLOTQADSA-N 495.605 2.386 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1ccn(C)n1 1286464641 CVIPGCDBVZHHAB-SFHVURJKSA-N 457.579 2.260 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CC2(S(C)(=O)=O)CC2)CC1 1286488158 LPXIIKPYBPDPPG-NRFANRHFSA-N 483.638 2.363 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1286779853 LBGPMPOXMOBYEG-GMAHTHKFSA-N 493.656 2.255 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](NC(=O)CCC)C1 1286814582 CSWCQIPGMLHBDW-FQEVSTJZSA-N 470.599 2.303 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(CC)CC1CC1 1286819622 QAZDJUBMLHFYAD-UHFFFAOYSA-N 456.572 2.029 30 10 JEEE CNC(=O)CCCN(C)c1nnc(-c2cccc(C#N)c2)n1CCCN1CCCO[C@@H](C)C1 1299185873 CCKYGHXGQPAEFF-IBGZPJMESA-N 453.591 2.280 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1Cc1ccc(C)nc1)[C@@H]1CCS(=O)(=O)C1 1300488516 RXLULYKBUCQVCQ-LJQANCHMSA-N 451.552 2.332 30 10 JEEE C#CCN(c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H](OC)C(C)C)[C@H]1CCS(=O)(=O)C1 1300493158 RQHRBESKJGXPII-VXKWHMMOSA-N 482.610 2.429 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1CC(C)(C)CN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1300500842 DYCYYTJHCRLLBK-HXUWFJFHSA-N 490.699 2.383 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2c(CC)noc2C)CC1 1300716170 JUGDWNHSEBPBAG-VWLOTQADSA-N 484.601 2.192 30 10 JEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N(C)Cc1ccc(N2CCOCC2)cc1 1300731071 BACPEMYTHBLYPS-UHFFFAOYSA-N 456.616 2.256 30 10 JEEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1300745872 OBZHUGLTRHDABN-WMLDXEAASA-N 478.504 2.443 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccoc1C 1300885025 NNXWFIZSFAJJSC-ZCNNSNEGSA-N 479.603 2.130 30 10 JEEE C=CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(CC(=O)N2CCc3ccccc32)CC1 1301170064 MZCRRIUQOKSTKJ-UHFFFAOYSA-N 479.629 2.484 30 10 JEEE C=CCCCCn1c(-c2ccccc2OC)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1301178406 KMDOLSHZRNYNEQ-UHFFFAOYSA-N 468.602 2.291 30 10 JEEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1301260283 YROAVCSPXLJHOA-QHCPKHFHSA-N 454.579 2.218 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCOCC2)c(F)c1 1301390907 PHOFAXXUBIWMOJ-IBGZPJMESA-N 475.590 2.383 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N(C)C[C@H](c1cccs1)N1CCOCC1 1301491043 LCQZOFFVOSIKNE-LJQANCHMSA-N 467.599 2.214 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1301568023 BRVNLJSRHMYNLN-QGZVFWFLSA-N 461.588 2.060 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2CCCC[C@H]2C1 1301593011 HOPHZMGLHQGDRL-FQEVSTJZSA-N 470.599 2.004 30 10 JEEE C=CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1301612428 MACSVIDLOJYIHL-QZTJIDSGSA-N 459.620 2.489 30 10 JEEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)c(OC)c2)cc1 1305781729 MKDVFFMTBYFRLP-AWEZNQCLSA-N 452.554 2.054 30 10 JEEE COc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2cccc(C#N)c2)cn1 1315496804 HXFZGXQAWYCYNM-LJQANCHMSA-N 452.540 2.140 30 10 JEEE CS(=O)(=O)c1cccc(-c2nnc(N3CCC(C#N)CC3)n2C[C@H]2CCCCS2(=O)=O)c1 1316335086 GQFHZOYINRIELL-LJQANCHMSA-N 477.612 2.056 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CC2(SC)CCOCC2)c1 1358900893 VISVKIXRNXZZJA-UHFFFAOYSA-N 484.626 2.385 30 10 JEEE C#CCCCCn1c(N2C[C@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)nnc1[C@]1(OCC)CCOC1 1358917374 OYLKDZFJDVTHIW-SYVJQLTCSA-N 486.661 2.113 30 10 JEEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(Sc2ccccc2)CC1 1358948869 NQJZJMYZWZXWOJ-GOSISDBHSA-N 461.613 2.005 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccsc1)N(CC)CC 1358978114 DICXKMCJPFEINJ-VQTJNVASSA-N 459.641 2.398 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCCCO2)n1CCN1CCN(C(C)=O)CC1 1359016914 PKMYEZBKCZFWOS-QHCPKHFHSA-N 468.577 2.463 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccn3C)n2Cc2c(C)nn(C)c2C)n1 1359027524 MQBXJELNPALQPH-UHFFFAOYSA-N 461.574 2.165 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2C[C@H](C)CN2CCN(CC)CC2)CC1 1359041000 LKAMKIWLFQWUHH-NHCUHLMSSA-N 457.667 2.031 30 10 JEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N(C)[C@@H]1CCN(Cc2ccccc2)C1 1359060102 KGZJVVKZKBSUPM-OAQYLSRUSA-N 452.628 2.478 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CCN(CC(=O)NCC)CC1 1359092767 FZFZAHYIYKIOAN-NFBKMPQASA-N 468.602 2.193 30 10 JEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1359227733 KIADCSLFUWXWAC-HXUWFJFHSA-N 479.647 2.002 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCC[C@H]1C 1359258727 ADXOARJREVPORQ-IFMALSPDSA-N 488.658 2.288 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC[C@@H](c2noc(C(C)C)n2)C1 1359302619 NTAICLIMSSFCIN-GOSISDBHSA-N 450.547 2.457 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCN(C)C(=O)[C@@H]2C)cc1 1359306273 AMPSLZPMOUBUTI-KRWDZBQOSA-N 461.526 2.205 30 10 JEEE C=CCOc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CCC(CC(N)=O)CC2)cc1 1359308238 IDKONIWKKUCMTB-UHFFFAOYSA-N 452.559 2.105 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)C1CC1 1359309724 CBHMLTXVPURUGC-FQEVSTJZSA-N 461.588 2.213 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCN2CCCS2(=O)=O)C1 1359313915 TUAYKPRGKDSULF-PXNSSMCTSA-N 479.578 2.374 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3Br)n2CCS(=O)(=O)NC)C1 1359317584 MHONFGBDJWEELE-AWEZNQCLSA-N 470.393 2.038 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2N(C)CCCC2(C)C)C1 1359322453 VXZOFSHMNQEYKD-IPMKNSEASA-N 451.637 2.082 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2ccc(F)cn2)CC1 1359329616 OUSVMYZWYZNHMP-UHFFFAOYSA-N 491.980 2.455 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1359330732 BFESEHNRCBHZGS-UHFFFAOYSA-N 498.609 2.422 30 10 JEEE CC(C)OCCS(=O)(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccco2)CC1 1360412807 BCXGKYRGGMCRKU-UHFFFAOYSA-N 484.582 2.335 30 10 JEEE COc1cccc(CN(C[C@H]2CCCO2)C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)c1 1442297516 HHUCLGZRPOCSJC-DYESRHJHSA-N 457.552 2.441 30 10 JEEE C=CCN(C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1)[C@H](C)COC 1461524206 UKOOZSVEBCMJDR-QGZVFWFLSA-N 452.573 2.298 30 10 JEEE C#CCNC(=O)C1CCN(C(=O)N[C@@H](c2cc(OC)c(OC)c(OC)c2)C(F)(F)F)CC1 1466237747 YSRHVLPLYMRKKJ-SFHVURJKSA-N 457.449 2.487 30 10 JEEE Cc1cccc(CCCn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N2CCO[C@@H](C#N)C2)n1 1492524935 CIIKHKCTMDNEDZ-NRFANRHFSA-N 495.609 2.260 30 10 JEEE CN(CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1)C1CCCCC1 1503597192 AUSQRNAUNLTTBE-DYESRHJHSA-N 452.600 2.277 30 10 JEEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN([C@H](C)c2nc(CC)no2)CC1 1507593765 VGDNWLLITFMJAQ-LJQANCHMSA-N 451.579 2.382 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H](C)N1CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1507629953 RONRQHKTHVLWFF-ZJOUEHCJSA-N 456.616 2.087 30 10 JEEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1ncccc1C 1507656310 FXKUQJZDKRVHPS-UHFFFAOYSA-N 453.594 2.467 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2C[C@]2(O)CCO[C@H]2C)CC1 1507723178 YPCPIJZHZBIVSZ-UQBPGWFLSA-N 469.586 2.038 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N2CCCCC2)CC1 1507734205 IQHGTSPFBNZFIO-UHFFFAOYSA-N 473.581 2.185 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCc2ccn(C)n2)CC1 1507737160 ZDBQSMCHIJGSQA-SFHVURJKSA-N 479.560 2.499 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC[C@H](C)N2CCCCC2)CC1 1507741039 JWKCBOYWZAJUQD-PMVMPFDFSA-N 486.661 2.232 30 10 JEEE C#CCSCCn1c(Cc2ccccc2F)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1507756700 QFLOZSQAWUCZKO-HXUWFJFHSA-N 470.574 2.141 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](O)(c2ccc(C)cc2)C1 1507806035 NWFXLTKEYZLZLV-ORVPSHMPSA-N 489.642 2.276 30 10 JEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](C)N2CCc3ccccc3C2)CC1 1507880810 JYLHTQRSVPJQPE-RBUKOAKNSA-N 458.632 2.492 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCOC1 1508037918 FYBSLMSNNAOZBY-QZTJIDSGSA-N 451.568 2.262 30 10 JEEE C=CCSCCn1c(-c2cccnc2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1508154047 SOEQXFFBBIZUDX-QFIPXVFZSA-N 471.675 2.491 30 10 JEEE COC(=O)N1CCC(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(CO)CC2)CC1 1517698740 AEDINGCSLLNJRS-UHFFFAOYSA-N 468.558 2.416 30 10 JEEE COCC(C)(C)CCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(C#N)C1 1518673296 AJWLADLTIZDEQT-XMSQKQJNSA-N 482.651 2.194 30 10 JEEE CS(=O)(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCCC2)C1 1519507931 DZIIVLVNZJLMEI-LJQANCHMSA-N 459.572 2.047 30 10 JEEE N#Cc1ccccc1COc1cccc(C(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)c1 1531641106 HKPKXSFMHXOOCY-QFIPXVFZSA-N 457.552 2.356 30 10 JEEE C#CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CC#C)CC1 1539070941 HKUBMDKWJDDBIO-FQEVSTJZSA-N 456.591 2.145 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1cc(C(C)(C)C)no1)[C@@H]1CCS(=O)(=O)C1 1539220455 JMOZEHMXKVSMIQ-IAGOWNOFSA-N 461.588 2.133 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H]1CN(CC(C)C)CCO1 1539299381 ITZFYYZGXKLNEB-RCZVLFRGSA-N 457.619 2.138 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2CCO[C@H]2C(=C)C)CC1 1539468919 JZAVSXDFHSEKRM-MCEYFSPLSA-N 485.629 2.266 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCNC(=O)c2cccc(C)c2)CC1 1539480568 CCHMANKYDPFHFG-JOCHJYFZSA-N 478.597 2.224 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H]2CCCN2CC)CC1 1539481813 GFHYILVNINWRJX-QFIPXVFZSA-N 452.578 2.458 30 10 JEEE C=C(C)COCCn1c(N2CCO[C@H]([C@H]3CCCO3)C2)nnc1[C@]1(OC(C)C)CCOC1 1539760042 SDLXNYBSQJXROL-QTEQDKRBSA-N 450.580 2.296 30 10 JEEE C=CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1)c1ccccc1 1539931918 SNFYEOPKCQOEHE-VAMGGRTRSA-N 455.559 2.136 30 10 JEEE C=CCN(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@@]1(O)CCS(=O)(=O)C1 1540057752 GPRZOSXRQCWWGE-QFIPXVFZSA-N 458.540 2.289 30 10 JEEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2ccccc2Br)C1 1540853729 LGPRLTVCEIYGTK-CZUORRHYSA-N 470.393 2.415 30 10 JEEE C=CCn1c(N2CCC[C@@H](N3CCCS3(=O)=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1540860669 GLFGJQSBNDLMRE-FGTMMUONSA-N 480.635 2.239 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CC[C@@](C)(C(N)=O)C1 1540863899 IVOUXRMHOXTZNX-RUZDIDTESA-N 461.570 2.357 30 10 JEEE C=CCNC(=O)Cn1c(N2CCO[C@@H](c3ccccc3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1540876571 VNKBUSYIFUPTRX-HYBUGGRVSA-N 455.559 2.199 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCO[C@@H](c2cccc(F)c2)C1 1540901335 ADDAIJDAGWZKHU-LJQANCHMSA-N 458.519 2.053 30 10 JEEE CC(C)(C)C(=O)NCCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1541137775 DDXOAOXRNXPIIF-IBGZPJMESA-N 466.590 2.275 30 10 JEEE CCS(=O)(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1CCCN1C[C@H](C)O[C@H](C)C1 1548307661 CZDZHIOKSRSUHM-KDURUIRLSA-N 474.631 2.187 30 10 JEEE CNC(=O)[C@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(NC(C)=O)nc2)C1 1554398696 AVDPJUHCEGFAHF-XMMPIXPASA-N 458.526 2.181 30 10 JEEE COc1ccccc1SCc1nnc(N2CCO[C@H](C#N)C2)n1CCCN1CCC(O)CC1 1555117172 AWZGEYDNHGEHND-LJQANCHMSA-N 472.615 2.155 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H](C)CS(=O)(=O)c2ccc(C)cc2)ccc1F 1585478921 NAAWOHLPHFJKOJ-OAHLLOKOSA-N 454.545 2.191 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC1(S(C)(=O)=O)CC1 1588174192 SGTVYHQGTPXYCI-UHFFFAOYSA-N 453.568 2.187 30 10 JEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@@H](c1cccs1)N(C)C 1588629078 WVBWHVPYLCOPFE-KRWDZBQOSA-N 456.572 2.456 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CC2C[C@H](C)O[C@@H](C)C2)CC1 1588954115 ACAUKUYONHOMCF-OALUTQOASA-N 450.587 2.433 30 10 JEEE C#CCSCCn1c(Cc2ccccc2F)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1589088775 IJGIHCXEMYALPP-KRWDZBQOSA-N 465.620 2.140 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccc2OC)nnc1N(C)CC(=O)N1CCOCC1 1589516295 ZBZZIUBDGUCMES-XMSQKQJNSA-N 455.559 2.230 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCN(C(C)=O)C[C@@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 1589577222 ATRUWRNLBFBQRG-KKMBPYAXSA-N 461.607 2.357 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)O[C@@H](c2ccsc2)C1 1593635894 BWCLMUUSIQLTJD-JQHSSLGASA-N 467.617 2.215 30 10 JEEE C=CCC(C)(C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1594504600 YHYPXNDYFHGJAH-SFHVURJKSA-N 456.978 2.272 30 10 JEEE C=CCn1c(-c2ccccc2Cl)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1595377115 DEOOCTNXHSHHAI-UHFFFAOYSA-N 461.979 2.337 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(c2ncccn2)CC1 1595506526 CHLUGZPYUGAION-UHFFFAOYSA-N 468.949 2.026 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCc2cc(OC)c(OC)cc2CC1 1595543919 BNOVINILSKSUIF-IBGZPJMESA-N 455.559 2.444 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC(=O)N(C)C[C@H]1C 1595760743 RVIDLHCNNLMKSR-HZPDHXFCSA-N 482.006 2.339 30 10 JEEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC2(CCCCC2)C1 1595885031 YZPUIZSFDSAKSL-GOSISDBHSA-N 485.676 2.070 30 10 JEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCNS(=O)(=O)c1ccc(C)s1 1596961535 IUCFGIRBHMAJLE-CYBMUJFWSA-N 451.998 2.487 30 10 JEEE CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)N2CCC(C)CC2)CC1 1615937762 GQNRBNZUQJGBIV-OAQYLSRUSA-N 478.645 2.195 30 10 JEEE C#CCN1CCC[C@@H](NC(=O)c2cc(S(=O)(=O)N3CCc4ccccc43)ccc2OC)C1 1638074139 AXIYPQVFOCOEDJ-LJQANCHMSA-N 453.564 2.274 30 10 JEEE C=CCn1c(O)nnc1SCC(=O)Nc1sc2c(c1C(=O)NCCOC)CCCC2 1641002496 BAFWDBMHQQPOGW-UHFFFAOYSA-N 451.574 2.217 30 10 JEEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCC(CC#N)CC3)n2CC2(C(N)=O)CCCC2)c1 1649662297 CWFMKHHGMMKOSE-UHFFFAOYSA-N 499.641 2.371 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N1CCC[C@H]1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1681943961 XQJCDLWHYJRZTB-CEXWTWQISA-N 450.580 2.221 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cc(Cl)ccc1OC 1689930236 NFTMFLQHLUMEGT-LJQANCHMSA-N 482.006 2.323 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1CCn1cc(C)cn1)[C@H]1CCS(=O)(=O)C1 1689992584 MNEKGTLONGLTQD-NRFANRHFSA-N 452.584 2.009 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCC(=O)NCCC 1690013539 SRGNCGWMYBVBRI-UHFFFAOYSA-N 459.554 2.225 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCNC(=O)OC(C)(C)C 1690206607 VTQCPKRIWJQSST-IIBYNOLFSA-N 451.593 2.087 30 10 JEEE C=C(C)COCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC(=O)N(C)C[C@H]1C 1690299359 PBIOGBWLQCPBDS-MRXNPFEDSA-N 460.966 2.121 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC1(O)CCC1 1690578050 QKTXFAXEHAYOIR-GOSISDBHSA-N 481.644 2.170 30 10 JEEE CC(C)C(=O)NCCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H](C(C)C)N1CCOCC1 1691496528 CLAFWITWQNHSKI-JOCHJYFZSA-N 467.618 2.382 30 10 JEEE C[C@@H]1CCC[C@@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CC(N)=O)CC1 1693644441 ATZPLGNCXUCZOH-MZNJEOGPSA-N 452.559 2.372 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1CCN1CCCS1(=O)=O 1705480397 RFZCWTZZBHFLSM-AWEZNQCLSA-N 452.378 2.201 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1Cc1c(CC)noc1C)[C@H]1CCS(=O)(=O)C1 1705559993 CVLURIKEXBPLIV-IBGZPJMESA-N 464.551 2.351 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CCC1=CCCCC1)[C@@H]1CCS(=O)(=O)C1 1705560510 HSKVIOBRPPRRHM-OFNKIYASSA-N 462.616 2.447 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1CCCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1705562289 ZVXFZVNPRNRKEP-FQEVSTJZSA-N 498.609 2.184 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1CC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1705569103 ZKKUUKFKJBARIH-FQEVSTJZSA-N 458.584 2.219 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1CCCNC(=O)c1cccc(O)c1)[C@H]1CCS(=O)(=O)C1 1705570429 NGYQWIJALMZURC-IBGZPJMESA-N 487.626 2.019 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@@H]1CCCN1CC)[C@H]1CCS(=O)(=O)C1 1705571327 YPRXSTVRDAWTNC-VXKWHMMOSA-N 455.628 2.174 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CCN(CC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1705571431 ZGRATZILSNNCRJ-GOSISDBHSA-N 477.581 2.258 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CCCc2cnn(C)n2)CC1 1705636750 WNPCJPFNHGHROG-UHFFFAOYSA-N 478.601 2.257 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CC[S@@](=O)C(C)(C)C)CC1 1705640201 IOVQKUBTVQMGBT-MQFAKOPTSA-N 457.600 2.093 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](C)CN2CCCCC2)CC1 1705651309 RPWJLNRNEVBUAD-HXUWFJFHSA-N 480.661 2.228 30 10 JEEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1705662928 QKRITBMXULEWOF-UHFFFAOYSA-N 490.637 2.484 30 10 JEEE C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1705721689 QKEUQPNTBYRBAD-CQSZACIVSA-N 457.398 2.140 30 10 JEEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1705786091 GBPKUYLXKTTWOW-INIZCTEOSA-N 454.641 2.185 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc(Br)s1 1705894268 SHOJRIIOKBLHEX-UHFFFAOYSA-N 467.393 2.277 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCOc2ccc(OC)cc2)C1 1705925463 PPZFUSOLKZPBIY-XLIONFOSSA-N 462.572 2.049 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCN(Cc3nc(C)c(C)o3)CC2)nnc1C(C)(C)C 1705939071 REBJTWMOPZMMFT-UHFFFAOYSA-N 450.609 2.103 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2Cc2cnc(C)s2)c1 1722306140 OLQQAMWYHJJSIY-UHFFFAOYSA-N 451.556 2.286 30 10 JEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 1722308312 KHBBTXSMTWPNRC-RTBURBONSA-N 478.663 2.167 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCCn2ccnc21 1722390180 PIYGQBPYXAMOAF-NRFANRHFSA-N 491.621 2.432 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccccc2Br)CC1 1722441798 UTRWNNCXPLJMCE-UHFFFAOYSA-N 499.413 2.291 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCc2ccccc2OCC)CC1 1722448248 WZGIZYDXEULDPE-NRFANRHFSA-N 451.571 2.389 30 10 JEEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1722532878 ZFMXVJZTKWPFHS-AWEZNQCLSA-N 484.479 2.103 30 10 JEEE C=CC1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC(=O)N(C)CC)CC1 1722581697 KWQIWYDJOLKDSO-GOSISDBHSA-N 462.595 2.467 30 10 JEEE C=CCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1722684786 WIPGVCJJXAEYRK-UHFFFAOYSA-N 496.612 2.479 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(c2ccccc2)CC1 1722728318 PQINFBKFAAIZQJ-FQEVSTJZSA-N 478.640 2.165 30 10 JEEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCN(c2ccccc2F)C[C@@H]1C 1722731049 BXXUIZXHBNIAJM-KRWDZBQOSA-N 451.568 2.270 30 10 JEEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 1722737000 PJQIGTIZJSIEBY-UHFFFAOYSA-N 460.579 2.437 30 10 JEEE CCOC1CC(O)(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(C(=O)NC(C)(C)C)CC2)C1 1728934512 CUIHJKNJKWCPTN-UHFFFAOYSA-N 481.601 2.377 30 10 JEEE COCC1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(CC(N)=O)CC2)CCOCC1 1730509595 DEGRUKNKKRGRDC-UHFFFAOYSA-N 452.559 2.352 30 10 JEEE N#C[C@@]1(F)CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2CCCN2CCCO)C1 1731179206 BBTJRDZHSBREFN-BEFAXECRSA-N 466.359 2.324 30 10 JEEE C#CCN(C)c1nnc(Cc2c(F)cccc2F)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1740611709 PMAHKUUCPJUCLG-JXFKEZNVSA-N 463.554 2.421 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1cc(OC)c(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1740622546 ZJQYVWBVMONKLE-SFHVURJKSA-N 497.577 2.041 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1CCOc1ccc2c(c1)OCO2)[C@H]1CCS(=O)(=O)C1 1740626767 NAJXCKNGUBWXGD-KRWDZBQOSA-N 474.583 2.301 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H](C)N(CC)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1740627639 RPSVFTRGRARYHN-QRVBRYPASA-N 495.646 2.054 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C)cc2)C(=O)C1 1740744536 BZNQDEDUDUKUMF-MRXNPFEDSA-N 494.415 2.250 30 10 JEEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1740843254 CJLPWPPZQIZJFM-GOSISDBHSA-N 467.574 2.355 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccc(C)n2)n1CCNS(C)(=O)=O 1740915049 SHXHIDYQSIBOTK-UHFFFAOYSA-N 451.556 2.262 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1740989036 YCCFLKNPJDNGGQ-TZIWHRDSSA-N 459.616 2.093 30 10 JEEE CCC[C@H](C)C(=O)NCCn1c(C2CCC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1745200283 DKVJDAMTAGZKBP-KRWDZBQOSA-N 467.622 2.338 30 10 JEEE CCN(C)C(=O)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC(CC#N)CC1 1745892263 BQTNNQUCZSHJEE-UHFFFAOYSA-N 478.645 2.251 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1CCC(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 1748808696 GEKRNLZTCFMPLM-QGZVFWFLSA-N 494.017 2.149 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1ccc(OC)cc1F)[C@H]1CCS(=O)(=O)C1 1748819120 KZLHZXPDZDZWRM-IBGZPJMESA-N 469.542 2.087 30 10 JEEE C#CCN(c1nnc(CCOc2ccccc2)n1C[C@@H]1CCOC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1748820552 DQZGTTBLVFXTEA-ACRUOGEOSA-N 472.611 2.199 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@@]1(O)CCS(=O)(=O)C1 1748882452 SKENXYKSSGOWJM-HXOBKFHXSA-N 472.636 2.144 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCO[C@H]1CCOC1 1748887106 TXQKPQSERANUGN-FQEVSTJZSA-N 474.565 2.333 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccc(C)n3)n2C[C@H]2NC(=O)CC2(C)C)n1 1748971613 WWVURDRHEDQLGF-OAQYLSRUSA-N 476.585 2.046 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCCN(CC)CC)CC1 1749014966 QJJWFSZJGPNKIH-QHCPKHFHSA-N 480.613 2.488 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2Cc2cccc(COC)c2)CC1 1749017255 YUNIJZRWDBOSIJ-UHFFFAOYSA-N 458.566 2.424 30 10 JEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N(CC)Cc1nc(O)c2ccccc2n1 1749033923 RHQLZPNBPVVLQL-QGZVFWFLSA-N 451.556 2.271 30 10 JEEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCc2c(ccnc2N(C)C)C1 1749048883 DESJERIPKYYHTD-ICSRJNTNSA-N 456.616 2.392 30 10 JEEE C=C(Br)Cn1c(CNC(=O)c2cccs2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1749109200 FVZXFLOBQGWQNS-CHWSQXEVSA-N 490.449 2.436 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)OCC(C)C)CC1 1749137238 XCSGSVBLNNPRDV-KNQAVFIVSA-N 474.606 2.296 30 10 JEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1nc(C)c(C)s1)C1CC1 1749519681 PNQPWFYLHACCPU-QGZVFWFLSA-N 466.633 2.082 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCCN(C(C)(C)C)CC1 1749661103 YNIMIIRTCFOCRF-UHFFFAOYSA-N 454.575 2.329 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(CCOc2ccccc2Cl)CC1 1749669071 GZJJLHNZKACJNM-LJQANCHMSA-N 489.020 2.329 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCNC(=O)c2ccc(C)c(F)c2)C1 1749694194 PQBQFXDAUZDKFJ-LJQANCHMSA-N 470.549 2.173 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCc2cc(OC)c(OC)cc2C1 1749729259 FOIAFCFWTAHKBR-UHFFFAOYSA-N 471.583 2.464 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCC(CC(=O)N(C)C)CC1 1749738870 ZMHGWGLIPYVOJK-UHFFFAOYSA-N 451.637 2.306 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2Cc2oc(CC)nc2C)c1 1760128741 RGCJGOXRFHQOFS-GOSISDBHSA-N 461.526 2.193 30 10 JEEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(CC(F)F)CC1 1760132375 HYVKFMCTQRFVDN-UHFFFAOYSA-N 480.585 2.386 30 10 JEEE C#CCCCn1c(COc2ccccc2OCC)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1760158856 UIFUUPGNVMYWOT-UHFFFAOYSA-N 463.542 2.256 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCN(C)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1760186211 BLRPSICVMFBOSZ-MSOLQXFVSA-N 481.619 2.013 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](CC)NC(=O)OC(C)(C)C 1760193730 OEIHIXJDFVDSAK-QGZVFWFLSA-N 451.531 2.302 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2c(C)oc3ccccc23)CC1 1760264968 IRRDKWAXOIUCRM-UHFFFAOYSA-N 462.554 2.485 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2C[C@]2(C)CN(C)C2=O)CC1 1760265629 GDUPVZHVPXTBGY-HRFSGMKKSA-N 492.624 2.479 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CC(C)(C)N2C[C@@H](C)O[C@H](C)C2)CC1 1760271784 LTSTWLQMOLGAJQ-RTBURBONSA-N 456.635 2.084 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCS(=O)(=O)CC 1760333598 BBBBKFCKCLRFKV-UHFFFAOYSA-N 454.622 2.075 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1C[C@@]1(OC)CCOC1 1760478944 YERKXWJPSYMXRT-DEOSSOPVSA-N 450.543 2.384 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CCS(=O)CC1 1760519108 RTXAGAWVRWLNEK-UHFFFAOYSA-N 472.796 2.232 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 1760522207 NVIKSVDTVDMQME-SJLPKXTDSA-N 463.485 2.264 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccsc3)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1760546612 RQSZKQFWEQVXSX-QZTJIDSGSA-N 451.618 2.136 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@H](C#N)C1 1760557759 VTXIARXFYWAIOG-HXUWFJFHSA-N 473.599 2.484 30 10 JEEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2cc(CO)nn2)CCN1CC(F)(F)F 1763081450 HIRILCFYHAMBNC-INIZCTEOSA-N 489.506 2.064 30 10 JEEE CCCNC(=O)CCn1c(Cc2ccccc2F)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1764550868 GHEBNBZNUHONRI-UHFFFAOYSA-N 493.591 2.165 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@H]2c2ccc(O)c([N+](=O)[O-])c2)cc1OC 1862580126 YEJIZBPSDNUBOQ-FQEVSTJZSA-N 485.449 2.032 30 10 JEEE CC[C@H](NC(=O)c1ccc2c(c1)C(=O)N(CCCN(C)C)C2=O)C(=O)Nc1ccc(C#N)cc1 1866610036 JUFUCZFYLFOKIJ-NRFANRHFSA-N 461.522 2.253 30 10 JEEE COc1ccc(CCN2C[C@@H](C(=O)Nc3c(C#N)nnn3-c3ccccc3C)CC2=O)cc1OC 1870150083 YAOCKMFBAHOCMC-SFHVURJKSA-N 474.521 2.494 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)Nc2ccc3c(c2)OCO3)cn1CCCO 1870433516 HCYUBNPGYRBLOI-UHFFFAOYSA-N 455.511 2.151 30 10 JEEE C=CCn1c(C(=O)N(C)CCO)cc2c(N3CCN(c4ccccc4OC)CC3)ncnc21 1873562721 PRWWBAXQRYOWPY-UHFFFAOYSA-N 450.543 2.017 30 10 JEEE COC(=O)c1ccc(/C=N/n2c(COc3ccccc3OC)nnc2SCC(N)=O)cc1 1874289612 NEIFDGBCFHLAKH-FOKLQQMPSA-N 455.496 2.112 30 10 JEEE N#Cc1cccnc1OCC1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)CC1 1891499543 MPOUELQHKRIBOM-LJQANCHMSA-N 462.506 2.395 30 10 JEEE CCN1CCN(c2c(C=C3SC(=S)N(C[C@H]4CCCO4)C3=O)c(C)c(C#N)c(=O)n2C)CC1 2053515867 NKVDEUXWGMDXJC-MRXNPFEDSA-N 487.651 2.088 30 10 JEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](C(=O)N2CC[C@@H]3C[C@]3(B3OC(C)(C)C(C)(C)O3)C2)C1 2197801850 OGNUHXRHSYYFLZ-VVBPWWLESA-N 484.424 2.105 30 10 JEEE CN(C(=O)OC(C)(C)C)C1CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2247951553 ITPUAJXNOKDCLL-UHFFFAOYSA-N 458.411 2.287 30 10 JEEE CN(C[C@@H](O)CN(C)C(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2255802862 GEEVUZRAVAZQFR-AWEZNQCLSA-N 454.398 2.347 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)[C@H](C)NC(=O)c1nn(C)c(Cl)c1B1OC(C)(C)C(C)(C)O1 2255817205 QXTJYWGFSMFKAX-RYUDHWBXSA-N 456.780 2.404 30 10 JEEE Cc1cc(C(=O)NC[C@@](C)(CO)NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2255838900 NFDNOBRGHKFTGB-NRFANRHFSA-N 454.398 2.361 30 10 JEEE Cc1c(B2OC(C)(C)C(C)(C)O2)csc1C(=O)N[C@H]1COC[C@H]1NC(=O)OC(C)(C)C 2255871949 PZVOZRUDRRYBMQ-LSDHHAIUSA-N 452.382 2.378 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@@](CO)(NC(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267014774 DLGBMXVMORQYCD-JOCHJYFZSA-N 450.341 2.071 30 10 JEEE CCO[C@@H]1C[C@H](NC(=O)OC(C)(C)C)[C@@H]1NC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2267172087 SOYXVTMEAVPERV-ZNMIVQPWSA-N 467.397 2.243 30 10 JEEE CC(C)(C)OC(=O)N1CC2(C1)CN(S(=O)(=O)c1ccc(B3OC(C)(C)C(C)(C)O3)cc1)C2 2267372067 IWBFLEPWTPSEBI-UHFFFAOYSA-N 464.393 2.227 30 10 JEEE C=C(CS(=O)(=O)N1CCC[C@@H](N(CCO)C(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2267464143 MGZDZBQESSXZMT-QGZVFWFLSA-N 474.429 2.198 30 10 JEEE CN(C1CN(C(=O)OC(C)(C)C)C1)S(=O)(=O)Cc1ccccc1B1OC(C)(C)C(C)(C)O1 2267467120 AAFUYFWFAPYNRS-UHFFFAOYSA-N 466.409 2.367 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@@](F)(CNC(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)C1 2281810485 PWMLDJWDOAJHQQ-OAQYLSRUSA-N 485.387 2.148 30 10 JEEE CC(C)(C)OC(=O)N1CCN(CCNC(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)CC1 2281944897 QNBWLOJAURFBLI-UHFFFAOYSA-N 459.396 2.268 30 10 JEEE Cn1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC(C)(C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2281962595 AYGAZAUMVMKYKK-UHFFFAOYSA-N 462.400 2.438 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H]([S@](C)(=O)=NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2282013532 AQDXQPLCQIJDFG-YHOYWCJOSA-N 480.396 2.023 30 10 JEEE C[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2CN1C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2282030160 BFNYLUKNCMQBRQ-BFYDXBDKSA-N 458.368 2.103 30 10 JEEE Cc1c(C(=O)NC[C@]2(F)C[C@@H](NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282061931 QYYZPHHKPLYTOS-XLOAEROZSA-N 466.363 2.153 30 10 JEEE CC[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282064122 VFDKNHDFOLOLAD-DOTOQJQBSA-N 462.400 2.485 30 10 JEEE Cc1ccc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2O)cc1B1OC(C)(C)C(C)(C)O1 2282132753 TZTVOIPVAAOEGI-RBUKOAKNSA-N 460.380 2.394 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CCCO1 2282182110 ORUKOZRDYOZXPS-GOSISDBHSA-N 461.368 2.137 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](NS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C2(CC2)C1 2282348701 OHPAMLYYUIKOBZ-QGZVFWFLSA-N 479.408 2.059 30 10 JEEE CN(CCCNC(=O)OC(C)(C)C)CCCNC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2282512848 LEFHILMAUDELOO-UHFFFAOYSA-N 482.456 2.409 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 2282534066 QTFYORVTAFDNBQ-UXHICEINSA-N 450.392 2.313 30 10 JEEE CN(C[C@]1(O)CCN(Cc2ccccc2)C1)C(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1 2282534602 HGDMIZYMNPRIJS-RUZDIDTESA-N 451.376 2.090 30 10 JEEE Cn1ncc(C(=O)N[C@@H]2C[C@@H](CNC(=O)OC(C)(C)C)C2(C)C)c1B1OC(C)(C)C(C)(C)O1 2282558022 DIIMURKQQDTQTA-GOEBONIOSA-N 462.400 2.389 30 10 JEEE Cn1ncc(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)C(C)(C)C2)c1B1OC(C)(C)C(C)(C)O1 2282558535 CLRJZLUXRHZUDE-OAHLLOKOSA-N 462.400 2.485 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C[C@@H]1C(F)F 2282623721 HSUXFCSVNZXSME-KBPBESRZSA-N 468.310 2.006 30 10 JEEE CC(C)(C)OC(=O)NCC[C@@H]1CCN(S(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282826151 PHERAWLELWOFGF-MRXNPFEDSA-N 481.424 2.306 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@H]1CNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1O 2282884476 OOHWGJZIDUCUEV-MRXNPFEDSA-N 462.352 2.057 30 10 JEEE C[C@H]1CN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C[C@@H](C)N(C(=O)OC(C)(C)C)C1 2283061799 NCYMQFBLVKZTPW-JKSUJKDBSA-N 460.384 2.493 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCc2sc(B3OC(C)(C)C(C)(C)O3)cc2C1)C1COC1 2283992058 WOJHGZZDDXRFKF-GOSISDBHSA-N 478.420 2.472 30 10 JEEE C[C@@H](NC(=O)C1(CNC(=O)OC(C)(C)C)CC(O)C1)c1nscc1B1OC(C)(C)C(C)(C)O1 2284068255 BEHYKXPVVJFEBB-JSBZPRQMSA-N 481.424 2.285 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@@]1(CO)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2284068969 KRCORTFPJKWWSW-JOCHJYFZSA-N 465.331 2.220 30 10 JEEE Cc1ccnc(C(=O)N2CCC[C@H](NC(=O)C(F)(F)F)CC2)c1B1OC(C)(C)C(C)(C)O1 2286121737 UCDXYKBSPLGYKW-AWEZNQCLSA-N 455.286 2.362 30 10 JEEE CCN(CC)c1ccc(C=Nn2c(SCC(N)=O)nnc2[C@@H]2CC(=O)N(C(C)C)C2)cc1 2329012579 KNOPNIGMCSCFQF-QGZVFWFLSA-N 457.604 2.308 30 10 JEEE COC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)Oc1cc(B2OC(C)(C)C(C)(C)O2)c(F)cn1 2345740784 IINOEEBMJVFTBX-BLLLJJGKSA-N 454.304 2.354 30 10 JEEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)[C@H]2F 2359265688 ICGPMIAEAGDPBG-SYAUCNOPSA-N 464.347 2.317 30 10 JEEE Cn1nc(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)CC23CC3)cc1B1OC(C)(C)C(C)(C)O1 2361528830 ZQEUJYBFAKQFKT-OAHLLOKOSA-N 460.384 2.096 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 2362347858 KPKRBLDSYZXTHH-RUZDIDTESA-N 450.392 2.458 30 10 JEEE Cc1nn(CCO)c(C)c1/C=N/Nc1nc(SCCC(=O)Nc2ccccc2[N+](=O)[O-])n[nH]1 59888141 JBXAGCBDLUVJLZ-RGVLZGJSSA-N 473.519 2.085 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CC1 204865252 OMTAEKPLEBCLHF-HNNXBMFYSA-N 475.399 2.092 30 10 JEEE C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](N(C)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 204866335 YTIOHAGRLOMMEZ-AEFFLSMTSA-N 489.426 2.116 30 10 JEEE O=c1nc(N2CCOCC2)ccn1C(N=C(c1ccccc1)N1CCOCC1)=C(Cl)Cl 252467606 VJRBKSSZOJVTOS-UHFFFAOYSA-N 464.353 2.420 30 10 JEEE CCc1nnc(NC(=O)C[S@](=O)CC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)s1 586347656 KHNCKVIURRJONW-XGCHSQQGSA-N 451.599 2.484 30 10 JEEE N#C[C@@H](C(=O)CCNC(=O)Cc1ccccc1)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 916947751 AYVQZXQWMCMLEE-QFIPXVFZSA-N 496.589 2.258 30 10 JEEE COc1ccc(Cl)cc1NC(=O)CSc1nnc(NN=Cc2cc([N+](=O)[O-])ccc2O)n1N 1084344541 KKJDYGWIEFHQIS-UHFFFAOYSA-N 492.905 2.445 30 10 JEEE C#C[C@H](NCC(=O)NCCN1C(=O)S/C(=C/c2ccc(OCC)cc2)C1=O)[C@H]1CCCO1 1193594609 XNASDIDJYWTMCF-BKZAGJQCSA-N 457.552 2.008 30 10 JEEE C#Cc1ccc(CNC(=O)N2CCN(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)CC2)cc1 1228655410 JWIWQADOGHBFPB-UHFFFAOYSA-N 455.559 2.168 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1cccc(OCC(N)=O)c1 1286274313 LHXNPEJSQGFKHV-ZDUSSCGKSA-N 457.332 2.406 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@]1(N(C)C)CCSC1 1286279816 QDSMWQRHLWPZDB-JTSKRJEESA-N 476.672 2.091 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@](C)(O)c1ccco1)[C@H]1CCS(=O)(=O)C1 1286389006 XIAVWKRKYWVIMN-MBSDFSHPSA-N 470.551 2.081 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCN1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1286389590 MWNVWOQWPRFOKE-AZUAARDMSA-N 456.616 2.007 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@](C)(O)c2cc(C)oc2C)CC1 1286469782 LEAPRPJRGPBKPS-XMMPIXPASA-N 456.591 2.069 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H](c2cccs2)N(C)C)CC1 1286472810 LQRHLEGZSFPBBT-AUSIDOKSSA-N 458.632 2.050 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H]2CCOC2)CC1 1286486828 PZPKWGFYUQKFOX-LJQANCHMSA-N 464.570 2.150 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2Cc2ncccc2N(C)C)CC1 1286494408 NYMIYMFTVZQEGX-UHFFFAOYSA-N 487.608 2.375 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(CNC(C)=O)CC1 1286563309 JBIFPMNGWXIWKA-JTHBVZDNSA-N 455.607 2.473 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(Oc2cncc(Cl)n2)CC1 1286607884 LFIIGKZVRMENQU-INIZCTEOSA-N 497.021 2.264 30 10 JEEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1286683443 QXGIMEWJRLCVFQ-GOSISDBHSA-N 466.546 2.048 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1286757039 DLFGGCOKPIRFBD-CEXWTWQISA-N 451.637 2.246 30 10 JEEE CC(C)OCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1288392876 FCVKZPMBGDGZDP-UHFFFAOYSA-N 495.609 2.367 30 10 JEEE CC[C@H](C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCc1ccc(S(N)(=O)=O)cc1 1291605281 IENSQAOYNOXJEM-SFHVURJKSA-N 494.625 2.275 30 10 JEEE COc1ccc(CCc2nnc(N3CCN(c4c(C#N)c(C)nn4C)CC3)n2C[C@@H](C)N(C)C)cc1 1300126471 GGEXLWCCGVRXFB-LJQANCHMSA-N 491.644 2.262 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCSC2)c1 1300334431 LYFRCKFXAYNEPI-MOPGFXCFSA-N 487.651 2.380 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCc1sc(C)nc1C)[C@H]1CCS(=O)(=O)C1 1300496609 SLXKBHOLNPYECA-ROUUACIJSA-N 463.629 2.462 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1300539044 WWXYWSIUXVBNBS-WOJBJXKFSA-N 475.471 2.127 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@]1(O)CCC[C@H]1C 1300575206 SSNRGARWFNGYDD-WZONZLPQSA-N 454.600 2.252 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2CCC=CO2)CC1 1300718389 MIZZYGQRYWPESR-FQEVSTJZSA-N 483.594 2.007 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CC(C)(C)OC)CC1 1300726870 SGRWABDCHOCXRZ-HXUWFJFHSA-N 453.543 2.181 30 10 JEEE C=C(C)COCCn1c(-c2cccc3cccnc23)nnc1N1CCN(S(C)(=O)=O)CC1 1300980928 PNEVIOBFIRFUMJ-UHFFFAOYSA-N 456.572 2.168 30 10 JEEE C=CC1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCCC(=O)N(C)C)CC1 1301112171 MFGQIXONFHRNSY-UHFFFAOYSA-N 474.631 2.466 30 10 JEEE C=CCCCn1c(-c2noc3c2COCC3)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1301217047 XNOXPFLZURPSDG-QGZVFWFLSA-N 457.579 2.009 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1[C@@H]1C[C@H]1CF 1301339743 RRMWFGVWCZEQID-ZCNNSNEGSA-N 474.562 2.206 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1301492581 KKTYNWOWBBNUGN-IBGZPJMESA-N 480.573 2.314 30 10 JEEE C=CCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC(N(C)C(C)=O)CC2)cc1 1301527079 TYDHFEUGYJABJX-OAQYLSRUSA-N 452.559 2.289 30 10 JEEE CC(C)[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1301980359 BOCUCLXYVYNWAM-FQRUVTKNSA-N 479.629 2.357 30 10 JEEE C[C@H](CC(N)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1ccc(N2CCCC2)nc1 1303652205 HBFJXZVNSFZMQI-GOSISDBHSA-N 474.569 2.472 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCc1ccc(F)cc1)C1CC1 1358929808 IGFBQRYNRGDUNE-NRFANRHFSA-N 475.590 2.375 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1CC(C)(C)COCC)[C@@H]1CCS(=O)(=O)C1 1358960123 XTRDQIMZCRCMRW-LJQANCHMSA-N 488.610 2.406 30 10 JEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1358982241 PCMRKDCTNZXRJR-MRXNPFEDSA-N 456.572 2.256 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CC2(N3CCCC3)CCOCC2)CC1 1359039993 DQPOEHYURPYVBQ-UHFFFAOYSA-N 456.635 2.186 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H]2CCCOC2)CC1 1359042670 PELZXYWXOJGVPK-GOSISDBHSA-N 467.570 2.355 30 10 JEEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(S(=O)(=O)CC)CC1 1359051434 WITPMERBUUTCRW-UHFFFAOYSA-N 496.680 2.119 30 10 JEEE C#CCSCCn1c(COc2ccc(Cl)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1359060655 CUZZWAVQWJFRNQ-INIZCTEOSA-N 484.047 2.347 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1359102035 VQUBFAGXPJLBEU-SPEDKVCISA-N 472.615 2.367 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(S(C)(=O)=O)CC1 1359103422 OAFPSPBVFJXWBP-UZLBHIALSA-N 493.655 2.264 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1N1CCOCC1 1359107117 CRDKCUYBNKFQPV-SFHVURJKSA-N 462.620 2.176 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1359187117 CDBQCNLSIWMTJH-KRWDZBQOSA-N 454.535 2.461 30 10 JEEE C=CCCOCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(CC(N)=O)CC1 1359227718 JOYBLFXDJMSRTP-LJQANCHMSA-N 492.621 2.271 30 10 JEEE C=CCn1c(C(=O)NC(CC)CC)nnc1N1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 1359283155 WQWYGKDHVTUSET-NRFANRHFSA-N 465.602 2.310 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N(CC)Cc1cnn(C)c1 1359327958 PACVOOSADVEYSW-UHFFFAOYSA-N 496.435 2.407 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CC[C@](O)(Cc2cccc(Cl)c2)C1 1359332794 HDVPSFOVXDHCSP-GCJKJVERSA-N 481.018 2.220 30 10 JEEE C#CCCOc1ccc(C(=O)Oc2ccc(C(=O)N3CCN(S(C)(=O)=O)CC3)cc2)cc1 1456411965 SUHYRUZANLSXSM-UHFFFAOYSA-N 456.520 2.025 30 10 JEEE C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 1459723729 WIYCHVRVULPFEO-QGZVFWFLSA-N 458.609 2.418 30 10 JEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](COC)c2cccc(Br)c2)cc1 1471306908 IVCHLDSXRBJIAW-SFHVURJKSA-N 451.342 2.478 30 10 JEEE CCN(CC)C(=O)CCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@](F)(C#N)C1 1501755573 AZVMAVNMXCJAPS-DEOSSOPVSA-N 480.548 2.283 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1CCCN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1507634842 NQAJEALLOPQTHL-QFIPXVFZSA-N 485.654 2.380 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCOc1c(C)cccc1C)[C@H]1CCS(=O)(=O)C1 1507639598 ZZPPZIXLLJTIMR-VQTJNVASSA-N 458.584 2.452 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCN(C(C)C)CC2)CC1 1507734826 ZLKCDMHZEXCJOX-UHFFFAOYSA-N 489.624 2.018 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CC[C@H](OC)C(F)(F)F)CC1 1507740367 RNHGHRYYEXAXSV-SFHVURJKSA-N 464.492 2.197 30 10 JEEE C#CCSCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1507754930 QHDARYFBQUJKMA-QZTJIDSGSA-N 497.687 2.382 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N(C)CC(C)(C)CN1CCOCC1 1507801904 YWGCBZMWCLPSFP-TZIWHRDSSA-N 457.623 2.454 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cccc(CN(C)C)c2)CC1 1507901986 HFYLIRXSXCFCEU-QFIPXVFZSA-N 488.658 2.123 30 10 JEEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@@H](C)[C@@H]1CC 1508073027 LQLMWAPTCGLCHR-WBVHZDCISA-N 459.620 2.474 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](c2ccc(Br)cc2)C1 1508080855 RWENSOHVLZQKSR-GOSISDBHSA-N 486.374 2.321 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1508135012 CRIABXPOTAVCBM-GOSISDBHSA-N 489.598 2.016 30 10 JEEE C=CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1508162960 SPGBTFVUHYXFLC-UZUQRXQVSA-N 492.646 2.222 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(C(C)C)CC2)c1 1539038472 PKLVYBDTLJZAQM-QGZVFWFLSA-N 472.615 2.381 30 10 JEEE C#CCCCn1c(N2CC[C@@]3(CCS(=O)(=O)C3)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1539139293 CSWOTLXUFVUTKH-IEGUWTFLSA-N 477.631 2.477 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCOc1ccc(F)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1539216649 UUANJRTZUVCQTK-OAHLLOKOSA-N 461.494 2.257 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(CC)cc3)n2CC[C@H]2COCCO2)CC1 1539469474 ASPUXHOSKUUGPA-QFIPXVFZSA-N 451.571 2.279 30 10 JEEE C#CCSCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCO[C@H](C#N)C1 1539516861 FMUQGKZKCVBARI-GOSISDBHSA-N 460.604 2.488 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(CCc2ccc(OC)cc2)n1CCN1CCCS1(=O)=O 1539563145 HNOSGOUXLSWZGD-HSZRJFAPSA-N 457.600 2.100 30 10 JEEE C=C(C)COCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1539734933 GXMXFJMDKIJWPU-UHFFFAOYSA-N 474.993 2.364 30 10 JEEE C=C(C)COCCn1c(-c2cccc(C#N)c2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1539735440 KCAPEQIHIIAFHJ-FQEVSTJZSA-N 463.542 2.176 30 10 JEEE C=C(C)COCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1539736457 YLMUDFGUUOJRJC-QFIPXVFZSA-N 463.586 2.152 30 10 JEEE C=CCn1c(-c2ccccc2)nnc1N1C[C@@H]2[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1540856259 GBORATIMNKHQGC-FGTMMUONSA-N 459.572 2.258 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1540875727 WGKPJSFIKVFUDL-UHFFFAOYSA-N 498.481 2.193 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C(C)C)CC1 1540897352 HKHOSKAXVGCLPB-UHFFFAOYSA-N 474.631 2.278 30 10 JEEE Cc1cccc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCS(=O)(=O)N2CCSCC2)n1 1542619892 BKKMQPZUGXLMOX-NRFANRHFSA-N 475.644 2.157 30 10 JEEE N#Cc1ccc(N2C[C@@H](C(N)=O)[C@H](C3CCN(C(=O)c4cn[nH]c4)CC3)C2)cc1C(F)(F)F 1548397047 HIABACBWGNYPBO-ZWKOTPCHSA-N 460.460 2.390 30 10 JEEE CO[C@@]1(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCC[C@](C)(C#N)C2)CCOC1 1554713604 HWEYXLBTYLEZBY-FGZHOGPDSA-N 459.572 2.284 30 10 JEEE C=CCN(CC(=O)Nc1nc(-c2ccc(OC)cc2OC)cs1)[C@H]1CCS(=O)(=O)C1 1559607323 ILEDLZNFEDONQM-AWEZNQCLSA-N 451.570 2.441 30 10 JEEE C#CC1(O)CCN(C(=O)[C@@H](Cc2cccc(Br)c2)[C@H]2CCS(=O)(=O)C2)CC1 1585305081 KJZBUJLAVRHHKX-WMZOPIPTSA-N 454.386 2.029 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@H](C)SC)[C@H]1CCS(=O)(=O)C1 1588034779 LUSATGVFYFRMJT-JSGCOSHPSA-N 472.434 2.414 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@](C)(O)c1ccsc1)[C@@H]1CCS(=O)(=O)C1 1588049127 AOEVPHDGSOVYNK-XMSQKQJNSA-N 471.608 2.244 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1CCC(=O)N1CCCCC1 1588219584 WEYUZGQOKGXVBY-UHFFFAOYSA-N 457.538 2.459 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1Cc1cc(C)nn1C 1588628441 INQSFCWOTLJYED-UHFFFAOYSA-N 474.569 2.412 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CSc3ccc(C)cc3)n2Cc2cnnn2C)CC1 1588968559 NEWFZEIIHZRGTD-UHFFFAOYSA-N 464.599 2.021 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 1595500719 CTKIODPHPOXYSF-GOSISDBHSA-N 463.586 2.496 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCCN(C(=O)c2cccc(F)c2)CC1 1595561788 BWVCUYUDTWJDJA-UHFFFAOYSA-N 477.544 2.058 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC[C@H](N3CCCC3)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1595602270 IOLRGRMVPDBPHX-ZCNNSNEGSA-N 487.649 2.416 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cccc(C(F)F)c2)C1 1595730046 SKYREBQPNMVZCD-RTBURBONSA-N 497.568 2.378 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@H](C)S[C@@H](C)C1 1595799343 YZMMTVVHLPUCKS-ROUUACIJSA-N 491.687 2.383 30 10 JEEE C=CCSCCn1c(C)nnc1N1C[C@H](NC(=O)OC(C)(C)C)C2(CCS(=O)(=O)CC2)C1 1595845023 LYQXCIOZWJSFPV-KRWDZBQOSA-N 485.676 2.414 30 10 JEEE COCCN1C(=O)c2ccc(C(=O)N3CCC[C@H]3[C@@H](C#N)c3ccccc3)cc2S1(=O)=O 1618313107 GJRFYTBLELPNJM-PMACEKPBSA-N 453.520 2.389 30 10 JEEE Cc1nn(C)c2sc(C(=O)N[C@@H](C)C(=O)N3CCN(c4ccc(C#N)cc4F)CC3)cc12 1632031212 GKGNWLVZJSEEMJ-AWEZNQCLSA-N 454.531 2.421 30 10 JEEE Cc1cc(NS(=O)(=O)c2cccc(C(=O)N3CC[C@H](Oc4ccc(C#N)cn4)C3)c2)no1 1654618386 FPMJSXOQAAXTID-KRWDZBQOSA-N 453.480 2.344 30 10 JEEE C#C[C@H](NC(=O)NC[C@@H](O)CS(=O)(=O)c1cccs1)c1ccc(Br)cc1 1683508355 QWVLNNCXZMVIFU-CABCVRRESA-N 457.371 2.319 30 10 JEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1C[C@@H]1CCOC[C@@H]1OC)[C@H]1CCS(=O)(=O)C1 1689982430 NCTTXSRKZWPXBS-IHPCNDPISA-N 479.002 2.277 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1Cc1ncnn1C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1689992152 ICPDXNDSOWWFDJ-SFHVURJKSA-N 485.589 2.030 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2NC(=O)CC2(C)C)n1 1690109388 PRTJEYMMGYTEIF-JOCHJYFZSA-N 486.580 2.214 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@@H](c2ccsc2)N(C)C)CC1 1690142553 QFDWELNKPPWZJJ-FQEVSTJZSA-N 464.599 2.065 30 10 JEEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1ccsc1 1690174432 DBCNGMSFGZGVOD-ROUUACIJSA-N 481.669 2.380 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1csc(C(C)C)n1 1690206002 DVAJUVXGHPFVNN-XMSQKQJNSA-N 492.671 2.426 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2cccc(O)c2)CC1 1690237031 UTOSTFBXVSSRIT-RXVVDRJESA-N 454.575 2.430 30 10 JEEE C=C1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCNS(C)(=O)=O)CC1 1690374607 WXEHHSATSASBOH-KRWDZBQOSA-N 468.624 2.098 30 10 JEEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1690632731 NSZSNLLVUZAGGE-LJQANCHMSA-N 486.642 2.058 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC(Cn2cc(C)cn2)CC1 1690720289 DZUNRHHZYIDNPC-UHFFFAOYSA-N 455.588 2.362 30 10 JEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CC[C@@H](Cc2ccc(F)cc2)C1 1690729492 OBHMJZDIOWCBNU-IBGZPJMESA-N 475.590 2.209 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OCC(C)C)cc1 1705495554 RMKGMMHPRCCDOH-RXVVDRJESA-N 475.615 2.152 30 10 JEEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1705509932 PUQUONHZLJNNIG-JOCHJYFZSA-N 497.625 2.310 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2nc3c(s2)C[C@@H](C)CC3)CC1 1705635036 PIBDDGCPGIOGAI-ZWKOTPCHSA-N 458.632 2.387 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1705735284 NBIUDQHUZWNZTO-HXUWFJFHSA-N 471.606 2.145 30 10 JEEE C=CCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1705892610 RTFYUOKGMFUIKY-WOJBJXKFSA-N 460.648 2.087 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@@H](N2CCCC2)C1 1705894686 HJWLPZSUBROHPU-HXUWFJFHSA-N 486.020 2.228 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CCC(CCC(N)=O)CC1 1705896219 FVDPMGWUYDVJMA-UHFFFAOYSA-N 475.391 2.492 30 10 JEEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 1705939486 FIRVNLXYVCJIMG-UHFFFAOYSA-N 474.606 2.366 30 10 JEEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1709842658 GVACBJBKYFFOFE-UHFFFAOYSA-N 459.558 2.076 30 10 JEEE CCOc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC2(O)CCN(C(C)C)CC2)cc1OC 1710519720 BQKVFHBEOKMWKF-HXUWFJFHSA-N 484.601 2.316 30 10 JEEE CCOC1CC(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)C1 1710578662 DWNHWEWVBVYZHS-OCDPCBSRSA-N 472.615 2.492 30 10 JEEE CN(C)C(=O)COc1cccc(Cn2c([C@H]3CCCCO3)nnc2N2CC[C@@](F)(C#N)C2)c1 1710991122 GPNQJGODBIHBOU-AUSIDOKSSA-N 456.522 2.477 30 10 JEEE COCC[C@@](C)(O)Cn1c(-c2cccc(Br)c2)nnc1N1CCO[C@@H](C#N)C1 1712317206 DTPGVSWCFFTWFX-QFBILLFUSA-N 450.337 2.224 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CCCC2CCOCC2)c1 1722308914 HVCBQXYUWGUABC-NRFANRHFSA-N 464.570 2.492 30 10 JEEE C#CCCCn1c(N(C)CCCS(C)(=O)=O)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1722339813 XUOQQBOTEVGFSU-CALCHBBNSA-N 453.609 2.333 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1c(CC)nn(C)c1CC)[C@@H]1CCS(=O)(=O)C1 1722366697 JRCDOONDWBIWMB-QGZVFWFLSA-N 460.648 2.400 30 10 JEEE C#CCN(c1nnc(C2CCC2)n1CC(C)(C)N1CCC(OC)CC1)[C@H]1CCS(=O)(=O)C1 1722369073 VGPMYULLFRJMLV-IBGZPJMESA-N 463.648 2.062 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(OC(F)F)c2)n1Cc1cn(C2COC2)nn1 1722389355 IGSUZJLZIDLWPK-UHFFFAOYSA-N 453.453 2.221 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@H](C)CN2CCCCC2)CC1 1722448761 HCRGRZIJIBUAME-OAQYLSRUSA-N 463.630 2.352 30 10 JEEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 1722523153 DDGZXWDFAVFYPD-QZTJIDSGSA-N 458.588 2.315 30 10 JEEE C=CCC(C)(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CC(=O)N1CCOCC1 1722585369 XZCHGXJCNHZWOV-UHFFFAOYSA-N 475.615 2.246 30 10 JEEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(c2cnn(C)c2)CC1 1722603833 OEYZOILPWLOUFC-HXUWFJFHSA-N 477.635 2.085 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](CN2CCCCC2)C1 1722701792 DSISFFKOKABCSA-NRFANRHFSA-N 463.586 2.343 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2C[C@@](C)(O)CCOC)C1 1722713919 KBBRRDYNEUPACJ-MWTRTKDXSA-N 454.531 2.163 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Br)s3)n2CCNS(=O)(=O)CC)C1 1722716781 YHOPHGLJDGIEGF-CYBMUJFWSA-N 490.449 2.490 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 1722726285 BAXXVWYPJYVIEU-OAQYLSRUSA-N 493.674 2.248 30 10 JEEE CC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C(C)C)N2CCOCC2)C1 1722813197 BKLNNJMWNYLCAO-DHIUTWEWSA-N 465.602 2.278 30 10 JEEE CC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](N2CCOCC2)C(F)(F)F)C1 1722813958 HQZSWJAJMJQWED-PMACEKPBSA-N 491.518 2.185 30 10 JEEE C[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)OC(C)(C)C1)N1CCOCC1 1726722323 HCWVFNPCPHPGED-RBUKOAKNSA-N 454.575 2.453 30 10 JEEE N#CCC1CCN(c2nnc(CNC(=O)c3cccs3)n2CC(=O)NCC(F)(F)F)CC1 1731188977 HCPNMPKJGPOTRT-UHFFFAOYSA-N 469.493 2.078 30 10 JEEE C#CCN(CC)c1nnc(-c2ccccc2Br)n1C[C@H]1CCN(S(C)(=O)=O)C1 1740666269 JCVAPQSBLVGOTC-HNNXBMFYSA-N 466.405 2.449 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2CC2(O)CCOCC2)CC1 1740689576 BJVKURRQDPQIEM-FQEVSTJZSA-N 469.586 2.114 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H](C)N(C)c2ccccc2)CC1 1740693465 ZALUIYVQCSKNLC-SQJMNOBHSA-N 452.603 2.210 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCCn2cnnn2)CC1 1740701955 GDPWOHBUNNYWEJ-HXUWFJFHSA-N 491.600 2.078 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2CCCOC[C@@H]2CCCO2)CC1 1740703976 HNJJSWRXYKXHSN-QFIPXVFZSA-N 451.571 2.497 30 10 JEEE C#CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(NC(C)=O)CC1 1740717346 PXKPTSQHNFTZCI-LJQANCHMSA-N 492.646 2.058 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1740779464 HPLZWGHNQHDIED-QFIPXVFZSA-N 456.572 2.410 30 10 JEEE C=C(C)Cn1c(N2CCN(C(=O)CN3CCCC3)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740786028 NBCPVJCWQYOVFA-BGYRXZFFSA-N 487.649 2.369 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccc[nH]2)n1C[C@]1(O)CCS(=O)(=O)C1 1740915704 PPTLFCLVXCEZOT-JOCHJYFZSA-N 457.556 2.024 30 10 JEEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1741005629 MAFXDORHBQMKSK-OAQYLSRUSA-N 486.690 2.192 30 10 JEEE CC(C)(C)OC(=O)N1CC(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(CC#N)CC2)C1 1741211016 CZXZNVDQBABWOH-GOSISDBHSA-N 478.619 2.177 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC2(COC)CCC2)c1 1748692797 OQVGNFOOXRSIAF-FQEVSTJZSA-N 499.637 2.443 30 10 JEEE C#CCCCn1c(-c2ccccc2F)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1748744157 UGSQOSKXZWJGRX-SFHVURJKSA-N 461.563 2.128 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1CC1CCN(CC(F)(F)F)CC1)[C@H]1CCS(=O)(=O)C1 1748817541 LYZMBPLHYCSMPQ-SFHVURJKSA-N 475.581 2.378 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@@H]1CCC[C@H](O)C1)[C@H]1CCS(=O)(=O)C1 1748818484 BWPVHUVEQFCCHG-SQNIBIBYSA-N 478.565 2.325 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CC[C@@](C)(O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1748818721 DZQTUGQFJGJJMV-RCZVLFRGSA-N 479.606 2.188 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(Br)s2)n1C[C@H]1CCCN1S(C)(=O)=O 1748833350 PASMQOWLHAAJSV-CQSZACIVSA-N 482.429 2.266 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](C)Oc2cccc(F)c2)CC1 1749010746 WKQXKFLIGULINC-IEBWSBKVSA-N 455.534 2.354 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)CCc1nccs1 1749119088 NCQUXBYBAVXVLQ-UXLLHSPISA-N 454.622 2.005 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@]2(CCOC2)C1)C(C)C 1749557983 QABMAPRTCCVYRL-IMSXRSKXSA-N 477.675 2.496 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCc2cc(NC(=O)OC(C)(C)C)ccc2C1 1749669388 HQHJGSSWNFCDBN-LJQANCHMSA-N 495.584 2.441 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCC[C@@H](c2ccnn2C)C1 1749680329 JFXAXICKKGAKAC-GOSISDBHSA-N 465.558 2.285 30 10 JEEE CC(C)(C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1750113780 DPJIOJRYDWBMIG-IBGZPJMESA-N 472.615 2.383 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CN(CC(C)C)CCO1 1760111423 MNHGULHWUIKBRF-RBUKOAKNSA-N 463.586 2.007 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCSCc1ccccc1 1760117136 MWPZAMCSZJWQPU-IEBWSBKVSA-N 463.629 2.002 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1(CCOC)CC1)[C@H]1CCS(=O)(=O)C1 1760183418 OXHKGBDIOWHHRE-IBGZPJMESA-N 473.555 2.297 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1Cc1ccc(CN2CCCC2=O)cc1)[C@@H]1CCS(=O)(=O)C1 1760188051 ZQBUEGMHCPNJGG-JOCHJYFZSA-N 483.638 2.274 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC(F)(F)Br)[C@H]1CCS(=O)(=O)C1 1760188430 PDHGJPSDDCMUDA-STQMWFEESA-N 467.336 2.134 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(N2CCSCC2)CCCCC1 1760206421 ZBDYGLVMANTNTC-HXUWFJFHSA-N 475.684 2.005 30 10 JEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CCc1ccc(OC)c(F)c1 1760249196 WQHKMAXDHAHIAL-UHFFFAOYSA-N 455.490 2.482 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@H](C(C)C)N2CCOCC2)CC1 1760258221 IUBTURXGEDMMAY-HSZRJFAPSA-N 496.656 2.464 30 10 JEEE C#CCSCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1760279896 BACGBBCKDIUZPM-KRWDZBQOSA-N 476.647 2.426 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)N1CCOCC1 1760318283 FHLPUGCACJLDNJ-RBBKRZOGSA-N 450.543 2.093 30 10 JEEE C=CCCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1760439877 WWOAETNVTPYAOG-UHFFFAOYSA-N 458.513 2.041 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1760525000 QDPSEGAHVVTATD-GOSISDBHSA-N 466.007 2.228 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCN(C)C(=O)C1 1760551491 HDBCGNZQUZYVDM-HNNXBMFYSA-N 463.629 2.011 30 10 JEEE CCCS(=O)(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCO2)CC1 1764647915 CQPOLRCMXMLSLS-FQEVSTJZSA-N 458.588 2.294 30 10 JEEE CCC[C@](C)(O)Cn1c(Cc2cccnc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1765458423 DAMUOXQREPLPKV-UUOWRZLLSA-N 461.574 2.192 30 10 JEEE CN(CC(=O)N1CCOCC1)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CC[C@H](F)C1 1767008149 CYCBJUHRIIYREB-OALUTQOASA-N 456.522 2.162 30 10 JEEE CCOC[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCN(C(C)=O)CC2)C1 1767991789 GFFYSLFOQKZTNE-JOCHJYFZSA-N 465.602 2.234 30 10 JEEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(N(C)C)cc1 1862738557 DMWGOWHWODSFSZ-HXUWFJFHSA-N 452.467 2.375 30 10 JEEE CC(=O)c1cccc(NC(=O)[C@H](CO)NC(=O)C2CCN([C@@H](C#N)c3cccs3)CC2)c1 1866868004 RKHWIMPKVBHTJP-PMACEKPBSA-N 454.552 2.343 30 10 JEEE C=CCN(CC=C)C(=O)[C@@H](CCSC)NC(=O)CCS(=O)(=O)c1ccc(OC)c(OC)c1 1868738407 KBYCCODSKWSQMY-GOSISDBHSA-N 484.640 2.306 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)Nc2cccc(C)c2)cn1CCOCCO 1870731431 WNINOTFTAHEPIV-UHFFFAOYSA-N 455.555 2.357 30 10 JEEE C=CCn1cc(OCC(=O)Nc2ccccc2OC)c(=O)cc1CN1CCN(c2ncccn2)CC1 1870747527 JFESFSFOAJDUGV-UHFFFAOYSA-N 490.564 2.173 30 10 JEEE CC(C)C[C@@H](C(=O)Nc1c(C#N)cnn1-c1ccccn1)N1C(=O)c2ccc(C(=O)O)cc2C1=O 1873681406 ARJSTNVNUCUTSB-SFHVURJKSA-N 472.461 2.487 30 10 JEEE CCCOC(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1cc(Br)ccc1O 1874435469 ISUNHRGHGKXHFG-DNTJNYDQSA-N 470.349 2.310 30 10 JEEE CC(C)(C)OC(=O)N1CC([C@@H](F)CNC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C1 2255843718 KSHVLKCYZPSQQU-AWEZNQCLSA-N 455.361 2.377 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2C(NS(=O)(=O)c3cscc3B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2255954048 RZHFPQUEMPTUSU-CHWSQXEVSA-N 470.422 2.191 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](CC(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2256618547 RDCFDGCADDBANE-CHWSQXEVSA-N 452.386 2.281 30 10 JEEE CO[C@H]1C[C@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)s2)N(C(=O)OC(C)(C)C)C1 2256625021 QVGAJWXBBWMGHG-QWHCGFSZSA-N 453.370 2.405 30 10 JEEE CC(C)(C)OC(=O)N1CC2(C[C@@H](O)CN2C(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2266993872 NOLGDRFMEZYXKF-CQSZACIVSA-N 464.393 2.244 30 10 JEEE CC(C)(C)OC(=O)N1CCC(N(CC(N)=O)C(=O)[C@@H]2C[C@@H]2B2OC(C)(C)C(C)(C)O2)CC1 2267097737 RQDVIUOEXLRJQE-CVEARBPZSA-N 451.373 2.182 30 10 JEEE CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)o1 2267130816 SQLUGVWTMZEQOC-ZBFHGGJFSA-N 450.341 2.251 30 10 JEEE C=C(CS(=O)(=O)NC[C@@]12CN(C(=O)OC(C)(C)C)C[C@@H]1CCO2)B1OC(C)(C)C(C)(C)O1 2267471134 QIUFKGNIKATHPV-HRAATJIYSA-N 472.413 2.119 30 10 JEEE CC(C)(C)OC(=O)N1CC2(C[C@@H](O)CN2C(=O)c2csc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267561138 LUFOBUJRSXJAQZ-OAHLLOKOSA-N 464.393 2.244 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)c1F 2268636656 GBTPFAUMUFMITG-CJNGLKHVSA-N 450.316 2.434 30 10 JEEE C[C@@H](O)CN(CCNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1F)C(=O)OC(C)(C)C 2281771466 XQEICOLODXADEG-OAHLLOKOSA-N 466.359 2.473 30 10 JEEE Cn1ncc(C(=O)N2C[C@H]3CC[C@]3(CNC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2281809985 YNCPIMJFIYNHDZ-CMJOXMDJSA-N 460.384 2.096 30 10 JEEE CC[C@H]1CN(C(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)CC[C@H]1NC(=O)OC(C)(C)C 2281821804 GSUZHLVBMLDOMD-DOTOQJQBSA-N 462.400 2.485 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1C[C@@H]2[C@@H]1CCN2C(=O)OC(C)(C)C 2282006865 ZAXPTAJMQAOENB-BZUAXINKSA-N 460.384 2.155 30 10 JEEE CCn1cc(C(=O)N[C@@H]2CCOC[C@@H]2NC(=O)OCc2ccccc2)nc1B1OC(C)(C)C(C)(C)O1 2282042411 GUWZOUPWCPBLMT-QUCCMNQESA-N 498.389 2.016 30 10 JEEE CN1CCC(CNC(=O)OC(C)(C)C)(NC(=O)c2occc2B2OC(C)(C)C(C)(C)O2)CC1 2282048048 GVFSTZDYMRBIPX-UHFFFAOYSA-N 463.384 2.298 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H](F)C[C@H]2CNC(=O)OC(C)(C)C)n1 2282066330 IIIZKEJETFISMG-CABCVRRESA-N 466.363 2.280 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1O 2282136181 OPGIKBYXYPIMQI-MOPGFXCFSA-N 460.380 2.394 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2282176350 SBPLJDJFLVBFLD-PHZGNYQRSA-N 458.368 2.436 30 10 JEEE CC(C)(C)OC(=O)NC[C@]12CN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)c[nH]3)C[C@@H]1CCO2 2282203237 BMGHJKZYUHFKJW-WNSKOXEYSA-N 461.368 2.070 30 10 JEEE CC(C)(C)OC(=O)NCCCOCCNS(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2282339075 ROLVRPJCWMXESF-UHFFFAOYSA-N 484.424 2.196 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)c(F)c2)C1 2282477917 WQOUQJSUNWOEKK-QZTJIDSGSA-N 464.343 2.225 30 10 JEEE CN(C[C@]1(O)CCN(Cc2ccccc2)C1)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282491691 MDJYELBNJBBWTB-HSZRJFAPSA-N 492.472 2.305 30 10 JEEE CC(C)(C)OC(=O)NC[C@@]12CN(C(=O)c3nscc3B3OC(C)(C)C(C)(C)O3)C[C@H]1CCO2 2282525839 NFHHWNAZCOWXQO-JLCFBVMHSA-N 479.408 2.198 30 10 JEEE COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)N[C@H]1COC[C@@H]1NC(=O)OC(C)(C)C 2282527530 DQCJSHHKXXUQOR-IRXDYDNUSA-N 462.352 2.016 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H]3CC[C@@]3(CNC(=O)OC(C)(C)C)C2)n1 2282533459 LNZVVJPSKINYLN-NPMXOYFQSA-N 460.384 2.096 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H](NC(=O)C(F)(F)F)CC[C@@H]2C)n1 2282552859 NDPZUHKUQXMCMM-UONOGXRCSA-N 455.286 2.361 30 10 JEEE Cn1cc(C(=O)N2CC[C@]3(CCN(Cc4ccccc4)C3)C2)nc1B1OC(C)(C)C(C)(C)O1 2282553115 PBVMBGSYJIDIHS-VWLOTQADSA-N 450.392 2.458 30 10 JEEE Cn1cc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC3(CC3)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2282575955 KQRUZPFAYOQDKO-HNNXBMFYSA-N 460.384 2.239 30 10 JEEE C[C@H]1CCN(C(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)C[C@H]1CNC(=O)OC(C)(C)C 2282578542 SPHLOVMYRQLZCP-JKSUJKDBSA-N 462.400 2.342 30 10 JEEE Cc1nn(C)c(C(=O)NC[C@]2(F)C[C@@H](NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2282585368 KXFCNISZZQRFHJ-XLOAEROZSA-N 466.363 2.153 30 10 JEEE CC(C)(C)OC(=O)N[C@@]12CCC[C@H]1CN(C(=O)c1ncc(B3OC(C)(C)C(C)(C)O3)cn1)C2 2282611822 AXQQBKSJGQKOBO-NPMXOYFQSA-N 458.368 2.295 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCCO[C@@H]2[C@@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)o1 2282631834 CATHOIMJZIGDPV-LIRZEXBASA-N 462.352 2.379 30 10 JEEE Cc1cnc(C(=O)N2CC[C@@H](NC(=O)C(F)(F)F)[C@@H](C)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2282644806 NWALNMZIOWUVAE-DZGCQCFKSA-N 455.286 2.218 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2O)C1 2282987491 DSVDUFQFXXYUBS-MRXNPFEDSA-N 462.352 2.057 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@H](C1)N2C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2283070623 XJEIOULLUXJXJH-IYBDPMFKSA-N 458.368 2.390 30 10 JEEE COC(=O)[C@@H](CC(=O)N(C)Cc1sccc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2283936704 PCJCBASFIQAZHR-OAHLLOKOSA-N 482.408 2.462 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@](O)(CC(=O)NCc2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2284021097 UIJWEXSFILDKKH-XMMPIXPASA-N 460.380 2.364 30 10 JEEE C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)OC(C)(C)C)c1cscc1B1OC(C)(C)C(C)(C)O1 2284037099 CMVQVCNDXBGOBY-BBRMVZONSA-N 481.424 2.383 30 10 JEEE CC1(C)OB(c2ccc(C(=O)N[C@@H](COCc3ccccc3)CC(=O)O)c(O)c2)OC1(C)C 2284472958 OHMBOOLHBLKVOG-GOSISDBHSA-N 455.316 2.481 30 10 JEEE CC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=NOCC(=O)N[C@H](CO)C(=O)O)CC[C@]4(C)[C@H]3CC[C@@]21C 2297639503 XPPSOAUERBQGOO-WPATUNQDSA-N 490.597 2.204 30 10 JEEE COc1ccc(N2C[C@@H](c3nnc(SCCO)n3N=Cc3ccccc3C(=O)O)CC2=O)cc1 2325882279 YWTOLSNWYLAJQL-INIZCTEOSA-N 481.534 2.472 30 10 JEEE CNC(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)[C@@H]1C[C@@H]1B1OC(C)(C)C(C)(C)O1 2343355810 OGBUUCMLOMMQKG-XHSDSOJGSA-N 451.373 2.053 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)n1C 2362336686 SPUJSXQENNBINV-CVEARBPZSA-N 462.400 2.451 30 10 JEEE CC[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2362348236 ONMJOPXOMCQIJL-HZPDHXFCSA-N 462.400 2.485 30 10 JEEE CC(C)(C)OC(=O)N1CC2(CC[C@H](NC(=O)c3csnc3B3OC(C)(C)C(C)(C)O3)CO2)C1 2362416230 MVDJVVVQSJNUKD-AWEZNQCLSA-N 479.408 2.341 30 10 JEEE CC(C)(C)OC(=O)N1CC2(C1)OCCC[C@@]2(C(=O)O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 2373523735 CQIUJYVKFYTCKL-NLFFAJNJSA-N 470.570 2.320 30 10 JEEE C/C(=N\Nc1nc(SCC(=O)Nc2nnc(SCC(N)=O)s2)n[nH]1)c1ccc(C)cc1 20837937 GEPXXXYVAGWBPE-UFFVCSGVSA-N 477.601 2.109 30 10 JEEE CCCCCC(=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 27639696 NTQOBLPQKXJXCZ-RKESYOIOSA-N 480.554 2.227 30 10 JEEE endogenous,in-man O=C1c2ccccc2C(=O)N1CCN1C(=O)/C(=N/NS(=O)(=O)Cc2ccccc2)c2ccccc21 59151950 ASGWFPSNUDDAFH-XTCLZLMSSA-N 488.525 2.153 30 10 JEEE C/C(=N\Nc1nc(SCCC(=O)Nc2ccc3c(c2)C(=O)NC3=O)n[nH]1)c1ccccc1O 59830657 UNKVGQOIHBNHKR-OPEKNORGSA-N 465.495 2.351 30 10 JEEE C=CCn1c(SCCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)nnc1C1CC1 59911816 LBUZAIYKZCTUGG-UHFFFAOYSA-N 477.612 2.483 30 10 JEEE COc1ccc([C@H]2/C(=C(/O)c3c(C)nc4ccccn34)C(=O)C(=O)N2CCN2CCOCC2)cc1 103095814 NRVYFVFAQZQZFQ-HHUUSFLGSA-N 476.533 2.405 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(Oc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CC1 204865292 RPPXWUURWFEKMY-HNNXBMFYSA-N 476.383 2.059 30 10 JEEE COc1ccc(NS(=O)(=O)c2ccc(C(C)=NNC(=S)NCCN3CCOCC3)cc2)cc1 254738117 HZEGHTKPQQRVOG-UHFFFAOYSA-N 491.639 2.016 30 10 JEEE CCN(CC)c1ccc([C@@H]2N(C(=O)C[N+](=O)NOC)[C@H](C)CN2S(=O)(=O)c2ccccc2)cc1 585088901 JCFXYESUQQUFOP-JPYJTQIMSA-N 490.606 2.298 30 10 JEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N=c3nc(-c4ccccc4)[nH]o3)nnc12 588760955 UPXAAJYAWYSXKU-UHFFFAOYSA-N 459.491 2.433 30 10 JEEE CC(=NNc1ccc(Br)cn1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 729819504 MMIUPIQNOIYYCG-UHFFFAOYSA-N 461.363 2.406 30 10 JEEE C#CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCN(CC(=O)O)CC1 757273241 HZOQHOKIHLNDHH-HSZRJFAPSA-N 461.518 2.146 30 10 JEEE N#CCCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@H](O)C(=O)O 757401129 NLALPIABDKDHFO-RTWAWAEBSA-N 451.479 2.149 30 10 JEEE C#CCN(c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H](OC)[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1286389744 PSZFIKZTZWRWNW-UWVAXJGDSA-N 498.609 2.282 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@](C)(O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1286391104 GBTASSCEQVYXHC-OFNKIYASSA-N 485.635 2.168 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H](c2ccsc2)N(C)C)CC1 1286472785 KVUYXUSDFNCILZ-QPPBQGQZSA-N 472.659 2.438 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCS(=O)(=O)c2ccccc2)CC1 1286474838 RACIRVJVHIRFFC-UHFFFAOYSA-N 470.986 2.223 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCCN(CC(F)(F)F)CC1 1286548298 SKENKTOCNYZESE-IRXDYDNUSA-N 458.529 2.472 30 10 JEEE C=C(C)Cn1c(Cc2ccsc2)nnc1N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 1286594559 BGAOWTAKRBZLLY-GOSISDBHSA-N 453.634 2.383 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@@H](COC)C1 1286672705 QCLQLIDUSGREFO-RTBURBONSA-N 469.652 2.466 30 10 JEEE C=CCCCn1c(N2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)nnc1[C@@]1(OCC)CCOC1 1286704985 LYAUSYRPUWSXKJ-SQJMNOBHSA-N 474.650 2.419 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC(CC(=O)NC2CCCC2)CC1 1286818210 DOQJHMXYLKWLOK-UHFFFAOYSA-N 487.630 2.001 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1286824017 UATHPHKPQHSUBN-XMMPIXPASA-N 489.642 2.067 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCCC[C@@H]2COC(=O)N2CCCC2)s1 1297617073 KFLXGPSGGWMSBV-MRXNPFEDSA-N 455.602 2.368 30 10 JEEE C#CCCCCn1c(N2CC[C@@H](N3CCN(C(C)C)CC3)C2)nnc1[C@]1(OCC)CCOC1 1300375752 BWPZJFIXLLQWDS-RDGATRHJSA-N 458.651 2.338 30 10 JEEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1nc2cc(OC)ccc2n1C)[C@@H]1CCS(=O)(=O)C1 1300485440 WKOJCJWZCYFYBT-DLBZAZTESA-N 470.599 2.362 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H](C)N1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1300499072 PDMYZMOVHGEURY-IRLDBZIGSA-N 470.643 2.011 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](C(=O)OC)C1 1300877250 WXYUKRBKYZZYTA-AOIWGVFYSA-N 454.531 2.296 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1300884939 NBGMEWGPUAAJDN-ZRNYENFQSA-N 477.606 2.493 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC[C@@H](c3nc(C)cs3)C2)nnc1[C@]1(OCC)CCOC1 1301520468 XNLSASVUWQTBEN-VGSWGCGISA-N 460.604 2.381 30 10 JEEE CCC[C@@H](Cn1c(N2CCN(c3ccc(C#N)cn3)CC2)nnc1[C@]1(OCC)CCOC1)OC 1306591436 DIFKVJDKJQAEIL-RDPSFJRHSA-N 469.590 2.339 30 10 JEEE C[C@@H](NC(=O)[C@@H](C)N1CCC(Oc2cccc(C#N)c2)CC1)c1ccc(S(N)(=O)=O)cc1 1307462430 DYHJOIGNDCNRIT-IAGOWNOFSA-N 456.568 2.315 30 10 JEEE CN(CCc1nccs1)c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CCOCC1 1314836692 CQNDJLCANJUTPH-UHFFFAOYSA-N 454.556 2.406 30 10 JEEE CO[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCCO[C@H](C)C2)C[C@H]1OC 1316328919 BICSHBHEESZGDC-QIJUGHKUSA-N 454.575 2.168 30 10 JEEE N#C[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CC(=O)NCCc2ccccc2)CCO1 1316535180 FHZPWNPLYYAHGS-QGZVFWFLSA-N 484.358 2.123 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC1CCS(=O)(=O)CC1 1358876929 TWZMWARFVSYIOD-OAHLLOKOSA-N 462.572 2.254 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCS(=O)(=O)N1CCSCC1 1358886481 DZSSIUQZSSCAHH-QGZVFWFLSA-N 486.623 2.437 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCN(CC)C(C)C)[C@H]1CCS(=O)(=O)C1 1358958150 IOGCOPZKGHFGEB-NRFANRHFSA-N 454.600 2.174 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@]1(O)CCSC1)[C@@H]1CCS(=O)(=O)C1 1358958857 XIJJUJKSHXHIJD-IERDGZPVSA-N 497.042 2.102 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@H](OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1358966494 QCJPSSFUWOVJRC-CTNGQTDRSA-N 458.584 2.217 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCN(CCC)C1 1358971597 BAQYLOMHWBYLOU-HXUWFJFHSA-N 468.627 2.000 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cc(C)ccc2OC(F)F)CC1 1359044822 PJBHHPSRDKVCST-SFHVURJKSA-N 486.523 2.153 30 10 JEEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1359075698 CFBIVFZZAWEWEN-OAHLLOKOSA-N 451.369 2.014 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2cc(Br)cn2C)n1CC1(O)CCS(=O)(=O)CC1 1359108462 PDCROZWPTFFZHH-UHFFFAOYSA-N 486.436 2.388 30 10 JEEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCN1CCN(C)C(C)(C)C1 1359232674 APJJWSNPTOEFHL-UHFFFAOYSA-N 474.679 2.195 30 10 JEEE C=CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCN1CCN(C(C)=O)CC1)C1CC1 1359254104 FMJHYXPYBUZJJM-BGYRXZFFSA-N 487.649 2.368 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1359328866 QDIBZUWCHRYHOL-CABCVRRESA-N 475.036 2.457 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCc3sccc3C2)nnc1[C@@]1(OCC)CCOC1 1359335306 HQTPGAOYMVJCJR-HXUWFJFHSA-N 452.602 2.155 30 10 JEEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(c3ccccc3C(=O)OC(C)(C)C)CC2)C1=O 1467267795 WTGIBNMNHJNAPK-UHFFFAOYSA-N 455.511 2.325 30 10 JEEE CC[C@H](C)N(C)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@H](C#N)C1 1496114335 AWEDAKZAKQLZEP-QFBILLFUSA-N 459.982 2.321 30 10 JEEE COCCN1C[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(CCCO)CC2)CC1=O 1504901395 FTKLHFJIYPHXNQ-NRFANRHFSA-N 466.586 2.301 30 10 JEEE C#CCCCCn1c([C@H]2CCOC2)nnc1N1CCN(CC(=O)N(C)C2CCCCC2)CC1 1507563162 CUJUJQXCQITNKZ-NRFANRHFSA-N 456.635 2.499 30 10 JEEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1507594012 BKTLQGFVAFRDMM-UHFFFAOYSA-N 456.572 2.050 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@H](CC)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1507634259 YDENPEIWYHXVLX-OTWHNJEPSA-N 495.646 2.450 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H](c1ccc(F)cc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1507635705 UPLBQYABESFDRO-PKTZIBPZSA-N 496.612 2.333 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1nc(C(C)(C)C)cs1 1507659870 HFRGMTNVCBZTHP-INIZCTEOSA-N 462.645 2.348 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@]1(N(C)C)CCSC1 1507664548 ARGYGBCVNYTERZ-HSZRJFAPSA-N 485.683 2.138 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@](C)(O)C2CC2)CC1 1507734616 QWCIGMFSCVZYSX-NRFANRHFSA-N 475.391 2.163 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@]2(C)CN(C)C2=O)CC1 1507741308 PRBVBLCAPAAIEP-VWLOTQADSA-N 480.638 2.323 30 10 JEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2c(F)cc(F)cc2C1 1507745390 BHOCITBJXPAFMN-CYBMUJFWSA-N 455.556 2.096 30 10 JEEE C#CCSCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1507748674 SWUVSDPZYAUWBR-QGZVFWFLSA-N 494.415 2.034 30 10 JEEE C#CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N(C)[C@H](C)CS(=O)(=O)CC 1507752219 WWEJVBQJIVTVAN-VQIMIIECSA-N 464.613 2.416 30 10 JEEE C=CCC(C)(C)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1507911192 DEINRNWOHYNEAP-UHFFFAOYSA-N 482.585 2.449 30 10 JEEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCOC2=O)cc1)C1CC1 1507987617 IAMXWNQXSICPGR-HNNXBMFYSA-N 460.560 2.048 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1508135020 CXRFMIQBKFZDEM-INIZCTEOSA-N 476.006 2.397 30 10 JEEE C[C@H]1C[C@@H](C)CN(C(C)(C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)[C@H](C)CC#N)C1 1511978097 FPQFPGVZXQPWHZ-XMTFNYHQSA-N 453.657 2.383 30 10 JEEE CCC[C@@H](C)C(=O)NCCn1c(C(C)C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1514270545 CNHFKHMSDSBOMO-QGZVFWFLSA-N 455.611 2.194 30 10 JEEE CCN1CCN(S(=O)(=O)c2cccc(NC(=O)[C@@H](C#N)Cc3ccc(C#N)cc3)c2)CC1 1522921893 FIXPNSGRIGPTDV-HXUWFJFHSA-N 451.552 2.205 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1[C@@H]1C[C@H]1CF)[C@H]1CCS(=O)(=O)C1 1539203182 NZWYXMIYZVZRLV-YTQUADARSA-N 459.547 2.304 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1Cc1ncccc1C)[C@H]1CCS(=O)(=O)C1 1539204480 AIRKVNATNUDKNO-IBGZPJMESA-N 481.578 2.341 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CC(O)(CCC)CCC)[C@H]1CCS(=O)(=O)C1 1539219004 AZUZLWCQQATOOE-RBUKOAKNSA-N 452.621 2.478 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CCc1c(F)cccc1F)[C@@H]1CCS(=O)(=O)C1 1539226059 UCTWHEJZQYMKRW-GOSISDBHSA-N 471.533 2.412 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCOCC)[C@H]1CCS(=O)(=O)C1 1539230174 CDZFNSXZYKOAHZ-ROUUACIJSA-N 481.619 2.013 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCC(=O)N1CCCCC1 1539315875 XPFSXMGVLNPNJW-UHFFFAOYSA-N 471.565 2.058 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H]2CCCN2CC)CC1 1539470684 VQIUWJBRQHWYGY-NRFANRHFSA-N 480.613 2.412 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](NC(C)=O)C1 1539618878 BOKBCWRQWXKWSM-ONTIZHBOSA-N 487.626 2.435 30 10 JEEE C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)N(C)C2CCCCC2)CC1 1539682094 HYDLEAXHOBAZIP-UHFFFAOYSA-N 457.623 2.003 30 10 JEEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cc(C)nc(C(C)C)n2)CC1 1539683205 DWPHYRIGIDQJEA-KRWDZBQOSA-N 462.624 2.013 30 10 JEEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCCN(c2nccs2)CC1 1540874022 SBLPOFLUXIPBIP-UHFFFAOYSA-N 467.599 2.375 30 10 JEEE C=CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1540913621 PGDKAGJTZCJRMK-CQSZACIVSA-N 460.585 2.136 30 10 JEEE C=CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(C)=O)CC1 1540917248 QRVDEQMALYPUSS-SFHVURJKSA-N 480.635 2.174 30 10 JEEE CNC(=O)C(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(Cc2cscn2)CC1 1554377515 DLUHZDOAULNTFH-UHFFFAOYSA-N 494.625 2.280 30 10 JEEE CO[C@@]1(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCN2C[C@H](C)O[C@H](C)C2)CCOC1 1554713538 FZOPSRFMWQQMTP-YDIMBITNSA-N 454.575 2.168 30 10 JEEE COc1cc(OC)c(CCn2c(-c3ccccn3)nnc2N2CCO[C@@H](C#N)C2)c(OC)c1 1554782784 CPRMUKQVDDCUHK-KRWDZBQOSA-N 450.499 2.337 30 10 JEEE C#CCCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1587765895 MQZNLOOBWPXJDM-NRFANRHFSA-N 473.599 2.454 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1CCc1nccs1)[C@H]1CCS(=O)(=O)C1 1588034636 JRXJMTKQOHGWPV-KRWDZBQOSA-N 487.607 2.288 30 10 JEEE C#CCN(c1nnc(-c2ccc3ccccc3n2)n1C[C@@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1588045916 TWDWRGHGNLFREB-MBSDFSHPSA-N 453.568 2.281 30 10 JEEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H]1CCCN1S(C)(=O)=O 1588288715 JGYLDGFHNHYRJP-MRXNPFEDSA-N 451.980 2.491 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1588612932 MYKQHDUEAJLWFN-OAQYLSRUSA-N 471.569 2.403 30 10 JEEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1589053577 QULRCJDRYKBCKK-QFIPXVFZSA-N 483.686 2.246 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](OC)[C@H](OC)C1 1589569495 PIGGXXMMQZXQNJ-PDOICOKGSA-N 461.588 2.101 30 10 JEEE C=C(C)Cn1c(-c2ccc(Br)s2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1589742676 VXCDMUKLTRZCOM-UHFFFAOYSA-N 495.447 2.326 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCn2nc(C)nc2C1 1595500850 GMHFVULMORGMOF-UHFFFAOYSA-N 471.363 2.238 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC[C@H](COCC)C1 1595536837 GYGACRHVWWONMF-SFHVURJKSA-N 479.585 2.230 30 10 JEEE Cc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CC1(O)CCN(C(C)C)CC1 1612590769 FYTUKCAGLDBNKQ-UHFFFAOYSA-N 451.619 2.406 30 10 JEEE CCO[C@]1(c2nnc(N3CCC(Oc4cccc(C#N)c4)CC3)n2CC(=O)NC(C)C)CCOC1 1616212954 BVAXIOSWAXYTNQ-RUZDIDTESA-N 482.585 2.374 30 10 JEEE C=C(C)CN1CCC(NC(=O)c2sccc2S(=O)(=O)N2CCCC[C@@H]2CCO)CC1 1627251872 XPSGOFNWTJMLCD-GOSISDBHSA-N 455.646 2.444 30 10 JEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCS(=O)(=O)[C@@H]2CCC[C@@H]21 1640748621 BQZUEMWYWOHFLE-GOEBONIOSA-N 457.346 2.276 30 10 JEEE CC(=O)c1cccc(C#N)c1OCC(=O)N1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1 1644183653 LEJVSEBOSUTEHH-UHFFFAOYSA-N 455.536 2.290 30 10 JEEE C=CCN(CCC#N)CC(=O)NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S 1645844853 OWBMUCJRWKNSBK-LDADJPATSA-N 458.565 2.134 30 10 JEEE CCOC(=O)C1CCN(S(=O)(=O)N2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)CC1 1668971315 ARDGYTKDVBMSQT-IBGZPJMESA-N 454.980 2.042 30 10 JEEE C=C[C@@H]1OCC[C@H]1NC(=O)NCCN1C(=O)S/C(=C\c2cc(OC)c(OC)c(OC)c2)C1=O 1672798832 REOLBBSQKBULCU-HXPPYDANSA-N 477.539 2.391 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCNC(=O)Cc1cccc(F)c1 1689830479 AIJZPQRCZGBRRM-MHECFPHRSA-N 457.550 2.275 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@@H](C)N(C)C1CC1)[C@@H]1CCS(=O)(=O)C1 1689982014 GDUGZMDRHRSFSW-YLJYHZDGSA-N 457.600 2.063 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1C[C@@H](c1ccc(C)cc1)N1CCOCC1 1690030502 WGYUIOACUUIULU-QHCPKHFHSA-N 462.598 2.261 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2noc3c2COCC3)n1CC(=O)NC(C)C 1690089871 PHFOOZHXRFPWSD-UHFFFAOYSA-N 452.490 2.309 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1OCC[C@H]1C 1690103298 BTWWFDYOSADUOD-CEXWTWQISA-N 463.579 2.098 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 1690113681 QHWKRWJGPFZWOD-NLFFAJNJSA-N 488.633 2.085 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCCCN2CCC(C)CC2)CC1 1690146849 ZDULNSLDCBGYIU-QFIPXVFZSA-N 456.635 2.260 30 10 JEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 1690309982 PQIWZKJLSZBEMQ-LJQANCHMSA-N 456.547 2.122 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1690430778 TUEDMVBMGPNNBI-DLBZAZTESA-N 454.579 2.229 30 10 JEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC2CCCCC2)CC1 1690484626 AJDIGPYHMVHLHS-OAQYLSRUSA-N 480.679 2.280 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N(C)C[C@H]1COc2ccccc2O1 1690724721 VFIWIDHSZIEXTH-ROUUACIJSA-N 462.572 2.049 30 10 JEEE CC(=O)N(C)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2NC(=O)CC2(C)C)CC1 1690778566 BVIFNSHUWDGUQE-OAQYLSRUSA-N 479.585 2.091 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCS(=O)(=O)C(C)(C)C 1705490182 DJCKVEGSGNZRQH-INIZCTEOSA-N 470.599 2.346 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CN2CCCCCC2)CC1 1705534607 MLHMPWUXXKASEQ-JOCHJYFZSA-N 492.690 2.117 30 10 JEEE C#CCN1CCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@]2(O)CCN(C)C2)CC1 1705643514 IRVUVHIWWLCRER-QFIPXVFZSA-N 461.035 2.046 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2C[C@H](C(CC)CC)N2CCOCC2)CC1 1705647195 CETIXYFKHFSJFC-JOCHJYFZSA-N 456.635 2.258 30 10 JEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N(CCO)Cc1ccc(F)c(Br)c1 1705659480 XZMPABYMEREKOQ-KRWDZBQOSA-N 496.406 2.496 30 10 JEEE C#CCSCCn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1705665668 ADVRAESJLMWOPO-OAQYLSRUSA-N 486.617 2.105 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccnc(OCC2CC2)c1 1705668790 TXHOKGAERWGCSW-KSFYIVLOSA-N 458.588 2.113 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCCCN2CCCC2)CC1 1705781596 DCOUZDHGZPLWGR-NRFANRHFSA-N 480.679 2.280 30 10 JEEE C=CCN(CCOC)c1nnc(-c2cn(C)c3ccccc23)n1CCN1CCCS1(=O)=O 1705883281 CCMOOBTWHQUKMR-UHFFFAOYSA-N 458.588 2.111 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1705898408 KQVGQQPREWHYBA-FPOVZHCZSA-N 498.628 2.200 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCO[C@@H](c2nccs2)C1 1705906820 PYMWCOFNSPUHDI-QGZVFWFLSA-N 458.519 2.333 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1705921109 LRWUYGQGJDDIGW-IEBWSBKVSA-N 491.614 2.168 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(COc3ccccc3F)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1705928051 AHTWGIIRENPHMG-MSOLQXFVSA-N 479.578 2.059 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCC[C@@H](n3cc(C)cn3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1705939427 XGDQOWIDDOELMO-NFBKMPQASA-N 492.646 2.266 30 10 JEEE C=CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CCOC)CC1 1705946688 OAQRYVYYULEJLB-IBGZPJMESA-N 496.678 2.274 30 10 JEEE CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCN(C(=O)OC(C)(C)C)C2CC2)CCO1 1711360113 BVOBUHSRRKJUDP-HXUWFJFHSA-N 495.584 2.167 30 10 JEEE COc1ccc([C@H](C)CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@@H](C)C#N)cc1 1711721029 CMFRYKHACXLBKF-UEXGIBASSA-N 490.630 2.409 30 10 JEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)CC2CCCCC2)CC1 1722333331 VMVLXYJROBTWJR-FQEVSTJZSA-N 461.632 2.213 30 10 JEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCN1CCCCCC1=O 1722350223 QFNVEMWSOZRUAL-UHFFFAOYSA-N 457.604 2.100 30 10 JEEE C#CCN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1[C@@H]1C[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1722359273 RGUXQQDAVPPKJE-ZTFGCOKTSA-N 461.975 2.069 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ccccc1COCCC)[C@@H]1CCS(=O)(=O)C1 1722361140 LMUXKTFBTPBBOX-OAQYLSRUSA-N 480.594 2.337 30 10 JEEE C#CCN(CC#CC)c1nnc(Cc2csc(C)n2)n1C[C@@]1(N2CCOCC2)CCSC1 1722400118 ZZULJZILAVMWBH-QHCPKHFHSA-N 470.668 2.305 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCN(C)CC(F)(F)F 1722406459 PNGUPNLEKFWZOO-UHFFFAOYSA-N 472.537 2.149 30 10 JEEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1722533981 FGKHZLMXBATVEG-JOCHJYFZSA-N 481.645 2.380 30 10 JEEE C=C(C)COCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(S(C)(=O)=O)CC1 1722534403 MGXYVGFXCFMSQY-UHFFFAOYSA-N 458.588 2.111 30 10 JEEE C=CC1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2cnnn2C)CC1 1722583877 VTTZMNIVRBZIKM-GOSISDBHSA-N 458.567 2.166 30 10 JEEE C=CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)[C@H](C)CS(C)(=O)=O 1722609431 CCDFRBAHSZRXCW-OAHLLOKOSA-N 468.649 2.382 30 10 JEEE C=CCCOCCn1c(CC(C)C)nnc1N1C[C@@H]2[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1722629757 NXHCVLCPVIDZCK-CEXWTWQISA-N 497.662 2.196 30 10 JEEE C=CCNC(=O)Cn1c(N[C@H](C)[C@@H](OC)c2ccccc2Cl)nnc1[C@H]1CCS(=O)(=O)C1 1722704534 UNZXUMZBFYMJEG-ZRGWGRIASA-N 482.006 2.324 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCN(Cc2cc(C)on2)CC1 1722726072 YPDMCIJGCLDBQQ-UHFFFAOYSA-N 456.572 2.165 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1722729817 XZSYEYUADCTNJR-GOSISDBHSA-N 487.047 2.137 30 10 JEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2ccc(CC)cc2)C1 1722730629 XUABWDULDFTPKK-NRFANRHFSA-N 487.626 2.142 30 10 JEEE CCC[C@](C)(O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1727893862 AQNIPDXCJROOKT-DEOSSOPVSA-N 469.565 2.403 30 10 JEEE COCCN1C[C@H](Cn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N2CCO[C@@H](C#N)C2)CC1=O 1730776141 FUBXWERKKPVEGK-NJYVYQBISA-N 482.585 2.259 30 10 JEEE C#CCN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1ccoc1)[C@H]1CCS(=O)(=O)C1 1740615803 LJXOHWVLQCVWHV-IBGZPJMESA-N 487.969 2.130 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccc(C(C)(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 1740615825 LYFOTKCMXXQPJI-GOSISDBHSA-N 479.553 2.203 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCc1c[nH]c2c(CC)cccc12)[C@@H]1CCS(=O)(=O)C1 1740616043 QTIGMEWATIXYHQ-HXUWFJFHSA-N 496.637 2.329 30 10 JEEE C#CCN(c1nnc(-c2ccccc2F)n1Cc1ccc(OC)nc1OC)[C@H]1CCS(=O)(=O)C1 1740621755 OWRXXNBOGXHPDG-KRWDZBQOSA-N 485.541 2.171 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@@](C)(O)c1ccco1)[C@H]1CCS(=O)(=O)C1 1740627735 KGIJXAXYWZGHKB-FDDCHVKYSA-N 488.541 2.124 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(CN(CC)CC)cc1 1740640420 MWGFHDUSKPWLKJ-QFIPXVFZSA-N 453.612 2.143 30 10 JEEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1(N(C)C)CCCC1 1740685422 NFBWDSRUXJPPIZ-UHFFFAOYSA-N 466.634 2.413 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2ccncc2Cl)CC1 1740702622 UGTDOAZLCHNRHO-MRXNPFEDSA-N 460.966 2.065 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCN(C)C(=O)OC(C)(C)C)CC1 1740706633 YJSGXEGHUHFGFJ-LJQANCHMSA-N 474.606 2.352 30 10 JEEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 1740880323 FDFKMRSVRPULED-QZTJIDSGSA-N 462.595 2.456 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCOC2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1)C(C)C 1740926832 LOSMUXHBGIMHOH-IMSXRSKXSA-N 477.675 2.496 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cc(-c3ccccc3)no2)C1 1740972637 KSSVNNGFDKIPIM-SJLPKXTDSA-N 472.571 2.373 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1Cc2ccccc2O[C@@H](C)C1 1740985964 OQJXRYPKKUXUTI-KRWDZBQOSA-N 482.566 2.314 30 10 JEEE C=CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1740997468 TYXZRDSXESUFPC-KRWDZBQOSA-N 468.587 2.405 30 10 JEEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCCN2CCC[C@@H]2CO)[C@H](C)C1 1741055929 VBKCTGXDIUSLBG-NFBKMPQASA-N 495.628 2.023 30 10 JEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(F)c(OC)c2)CC1 1748700124 XQCHZQGXRNNROW-QGZVFWFLSA-N 478.594 2.166 30 10 JEEE C#CCN(c1nnc(CC2CCCC2)n1CC(=O)NC1CCCCC1)[C@H]1CCS(=O)(=O)C1 1748821109 LTKKUMDSDHMDKX-FQEVSTJZSA-N 461.632 2.086 30 10 JEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1CCN(CC(F)(F)F)C1 1748845945 CHYJAIQXGFPKIU-IBGZPJMESA-N 486.546 2.409 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cn2nc(C)cc2C)n1CC1(O)CCOCC1 1748946492 IBAMWFHTFHDVCY-UHFFFAOYSA-N 452.534 2.460 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](OC)C1CC1 1748965140 PPSPUNWAUYIHLL-MOPGFXCFSA-N 463.579 2.098 30 10 JEEE C#CCN(CCOC)c1nnc(CNC(=O)c2cccs2)n1C[C@@]1(O)CCc2ccccc21 1748968284 FLMUNEWBBZVYGV-DEOSSOPVSA-N 465.579 2.190 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2Cc2ccnc(OC(F)F)c2)CC1 1749008941 JNBHUHQBSXMXKD-UHFFFAOYSA-N 455.469 2.284 30 10 JEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 1749033508 HKZOFYABLJLPFF-GOSISDBHSA-N 473.002 2.098 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCN(C)Cc2ccccc2)CC1 1749343260 YUMGNTRXNPXICH-QFIPXVFZSA-N 488.658 2.145 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(OC)CCOC1 1749554184 QGEXXTOBLZKOKH-UZLBHIALSA-N 452.602 2.240 30 10 JEEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN1CCC[C@H]1C 1749597913 PYIXCGUODSVQAY-GOSISDBHSA-N 451.575 2.315 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(c2nc(C)cs2)CC1 1749656017 XMKYCVXNWJBBTO-UHFFFAOYSA-N 483.598 2.356 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1749658903 XUSXFUZZRZJCOI-ZIAGYGMSSA-N 469.995 2.167 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC(=O)Nc2ccc(F)cc2)C1 1749693994 NMEOGDKCRPUHKB-SFHVURJKSA-N 465.489 2.485 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1749736929 SSPAXTYOTLZEEV-XXBNENTESA-N 460.600 2.162 30 10 JEEE CC(C)NC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1750994982 FLTATWRVCBLEAQ-LJQANCHMSA-N 493.593 2.244 30 10 JEEE Cc1csc([C@H](C)Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(CCC#N)CC2CC2)n1 1751739242 DLLBOFBXHWAVMR-CRAIPNDOSA-N 493.659 2.310 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cn(C)c3ccccc23)n1C[C@@H](C)CN1CCOCC1 1760247995 XJXWVDWUIYWJDD-FQEVSTJZSA-N 450.587 2.491 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C)cc2C)n1 1760251525 BTLDOQLMVLDZEU-JOCHJYFZSA-N 461.570 2.377 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(F)cc3Br)n2CCNC(=O)C2CC2)CC1 1760256402 OWUMKTPQQWAXEQ-UHFFFAOYSA-N 475.366 2.128 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C(C)C)N2CCOCC2)CC1 1760267143 HETBWHFWMZUPQQ-DEOSSOPVSA-N 489.624 2.139 30 10 JEEE C#CCSCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@](C)(C(N)=O)C1 1760281688 WBLASSYFOBTSBD-UZUQRXQVSA-N 476.647 2.461 30 10 JEEE C=C(Cl)Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)COc2ccc(F)cc2)CC1 1760372349 GJDLZHDOEGJTNT-UHFFFAOYSA-N 459.913 2.298 30 10 JEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)CC2CCCCC2)CC1 1760450765 RSWBTWVDVJXZLD-NRFANRHFSA-N 493.674 2.392 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](CC)Oc1ccccc1F 1760465153 XYSRWWLTNXEYDO-LPHOPBHVSA-N 467.567 2.230 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1760528053 QSLJDDOSCDEDBT-SFHVURJKSA-N 467.599 2.058 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCC([C@H]2CCOC2)CC1 1760528173 UMHMULUBIAUVJJ-IBGZPJMESA-N 455.559 2.421 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1760555715 LHDFUCIXPQQROR-NHCUHLMSSA-N 471.583 2.222 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1760558143 HGVSGDWAXLJMAH-WNRNVDISSA-N 490.692 2.055 30 10 JEEE CCO[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2Cc2cccc(CN3CCOCC3)c2)CCOC1 1765817587 HYGKEDJOZFCEBY-NLFFAJNJSA-N 468.602 2.407 30 10 JEEE COCC(C)(C)Cn1c(Cc2cccnc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1770714932 CCMZRADITPNIBP-SFHVURJKSA-N 461.574 2.313 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(c2cnn(C)c2)CC1 1772659852 FTPHBRVNXBKKPZ-UHFFFAOYSA-N 476.006 2.259 30 10 JEEE N#Cc1ccc(NC(=O)c2ccc(N3CCN(C(=O)c4cnccn4)CC3)c([N+](=O)[O-])c2)cc1 1860877217 ZXLVJROLRJLBHX-UHFFFAOYSA-N 457.450 2.471 30 10 JEEE O=C(C1=C(O)C(=O)N(CCO)[C@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccc(F)cc1F 1862424391 YTTKVEHBUXARDY-SFHVURJKSA-N 462.361 2.215 30 10 JEEE COc1cc([C@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2CCN2CCOCC2)ccc1O 1862574669 MIKICSJKLOYFQN-QHCPKHFHSA-N 498.532 2.329 30 10 JEEE CCCCCCCCn1cc(OCC(=O)N(C)C[C@H]2CCCO2)c(=O)cc1CN(CCO)CCO 1870547008 BGXKZFHGOUOAKE-HSZRJFAPSA-N 495.661 2.012 30 10 JEEE COc1ccc(N2C[C@H](c3nnc(SCCO)n3/N=C/c3ccc(C(=O)O)cc3)CC2=O)cc1 1874198170 QLVVOJPUTAGUSK-ZRWQFTNJSA-N 481.534 2.472 30 10 JEEE CC(C)(C)OC(=O)NC1(C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2F)CC(O)C1 1879107724 VKDPISHVICNSDZ-UHFFFAOYSA-N 450.316 2.482 30 10 JEEE Cn1nccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2206619605 JJSRZCJXVLASEL-QGZVFWFLSA-N 457.340 2.319 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H]1C[C@@H]1NC(=O)OC(C)(C)C 2255933870 UYCDMBXISKYKKX-HOTGVXAUSA-N 452.382 2.238 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1sccc1B1OC(C)(C)C(C)(C)O1 2256622984 OFKDSDQPERYKIX-HIFRSBDPSA-N 452.382 2.034 30 10 JEEE CC(C)(C)OC(=O)N1CCC(NC(=O)C2(B3OC(C)(C)C(C)(C)O3)CCC2)(C(N)=O)CC1 2266994614 XFIPMQFDEKJQRQ-UHFFFAOYSA-N 451.373 2.374 30 10 JEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)oc1C 2267005972 PTZQGWRSZDVMGH-JKSUJKDBSA-N 450.341 2.251 30 10 JEEE CN(C[C@H]1COCCN1C(=O)OC(C)(C)C)C(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2267173398 KKCAQYJODNFYMK-AWEZNQCLSA-N 467.397 2.150 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1CNS(=O)(=O)c1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2267471391 SHPPNYGJLWIIID-CZUORRHYSA-N 470.372 2.316 30 10 JEEE CN(C[C@@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)CCO1)C(=O)OC(C)(C)C 2267541132 ZLQVZHUKIZEALB-CQSZACIVSA-N 467.397 2.150 30 10 JEEE CN1CCN(C(=O)c2csc(B3OC(C)(C)C(C)(C)O3)c2)[C@@H](CNC(=O)OC(C)(C)C)C1 2267561805 UORFLEMNFUVHPK-INIZCTEOSA-N 465.425 2.328 30 10 JEEE C[C@H](NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1)C1CN(C(=O)OC(C)(C)C)C1 2267709281 YXYDGQGHOBZRDO-ZDUSSCGKSA-N 487.453 2.117 30 10 JEEE C=CC1(NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CN(C(=O)OC(C)(C)C)C1 2267713440 OLXVSHGTZLVLAM-UHFFFAOYSA-N 464.393 2.440 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2268647641 PWAVBTQYMDPOLP-FQUUOJAGSA-N 464.397 2.137 30 10 JEEE Cc1sc(CNC(=O)[C@H](CO)CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1C 2268714284 ILGXMVXYLXUFRC-HNNXBMFYSA-N 468.425 2.414 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CCO)C(=O)Nc1ccc(F)c(F)c1B1OC(C)(C)C(C)(C)O1 2268721405 KUUSNSFIMBEEAA-CQSZACIVSA-N 456.295 2.478 30 10 JEEE CC(C)(C)OC(=O)NC1(CNC(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)CCOCC1 2281805720 CFXCLEQGGUFVEQ-UHFFFAOYSA-N 461.368 2.185 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@@H]1CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282011407 ISTOFMUNNHFHMR-HNNXBMFYSA-N 481.786 2.400 30 10 JEEE CO[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)N(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cn2C)C1 2282106321 WMWRIVHUVXOUTN-IRXDYDNUSA-N 463.384 2.079 30 10 JEEE Cc1ccc(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 2282112324 AMLBTAYAVYZEOT-OALUTQOASA-N 460.380 2.394 30 10 JEEE CC(C)(C)OC(=O)NC[C@]12CN(C(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)o3)C[C@H]1CCO2 2282200716 OIZRIQCZQROXHP-CMJOXMDJSA-N 462.352 2.335 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C(F)F)n1 2282534301 FBNOTFWFPPYGCO-FUHWJXTLSA-N 460.334 2.215 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H]3[C@@H](NC(=O)OC(C)(C)C)CC[C@H]3C2)n1 2282553887 VOFGHSRPVSRGDG-UXLLHSPISA-N 460.384 2.095 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(CCNC(=O)OC(C)(C)C)CC(F)F 2282588384 ULAUKXFGIMGJCX-UHFFFAOYSA-N 472.342 2.260 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@](C)(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2282633644 BBJIWKNRJNMRFJ-HSZRJFAPSA-N 463.384 2.317 30 10 JEEE Cc1ccc(S(=O)(=O)NN2CCN(C(=O)OC(C)(C)C)CC2)c(B2OC(C)(C)C(C)(C)O2)c1 2282827604 AQNCKSQGBMYRCZ-UHFFFAOYSA-N 481.424 2.040 30 10 JEEE CC[C@H](CN(CC)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C)NC(=O)OC(C)(C)C 2282856128 OATAFZYOVVFGJC-OAHLLOKOSA-N 486.444 2.033 30 10 JEEE C[C@@H]1CCN(Cc2ccccc2)CCN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282856802 YLHVKLRUJGHUNK-GOSISDBHSA-N 474.436 2.004 30 10 JEEE CN([C@@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21)S(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2282857180 DPXAWEUKIMFVOR-REPLKXPHSA-N 478.420 2.472 30 10 JEEE Cc1nc(NC(=O)[C@@H]2COC[C@@H](C)N2C(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2283970007 KUADDJBKTZHEEY-CJNGLKHVSA-N 462.356 2.047 30 10 JEEE CC(C)(C)OC(=O)N1CC2(CC[C@H](C(=O)NCc3cnc(B4OC(C)(C)C(C)(C)O4)s3)O2)C1 2284051991 BVDZGNJTSPVYNK-OAHLLOKOSA-N 479.408 2.227 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CCC(N)=O)C(=O)Nc1nc(B2OC(C)(C)C(C)(C)O2)ccc1Cl 2284053726 SCIHIRIAEZCEFB-ZDUSSCGKSA-N 482.774 2.132 30 10 JEEE C[C@H](OCc1ccccc1)[C@@H](NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1)C(=O)O 2284409455 JLECRVIIYUOGKC-OXJNMPFZSA-N 475.372 2.323 30 10 JEEE COc1ccc(OC[C@H](O)Cn2c(NN=Cc3ccccc3Cl)nc3c2c(O)nc(=O)n3C)cc1 2327751587 MTPNYNQMXOMJSW-OAHLLOKOSA-N 498.927 2.384 30 10 JEEE CCCNC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1N=Cc1ccccc1[N+](=O)[O-] 2329012012 NTCRRPUYQFZISC-INIZCTEOSA-N 473.559 2.411 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)n1C 2362495579 YMNLQOMTMJUPMI-MRXNPFEDSA-N 462.400 2.405 30 10 JEEE CC(C)(C)OC(=O)N1CC2(C[C@H](O)CN2c2ccc(B3OC(C)(C)C(C)(C)O3)cc2C#N)C1 2364745973 RGWFFXHDYPEFSA-SFHVURJKSA-N 455.364 2.418 30 10 JEEE COc1ccc(NC(=O)[C@H](NC(=O)OC(C)(C)C)C2COC2)cc1B1OC(C)(C)C(C)(C)O1 2365287820 FMNVIKYBPUZRDM-GOSISDBHSA-N 462.352 2.473 30 10 JEEE COc1ccc(CNC(=O)CSc2nnc(N/N=C/c3c[nH]c4ccccc34)n2N)cc1 20527843 RXCSJUYLQQNONL-BRJLIKDPSA-N 450.528 2.336 30 10 JEEE Nn1c(N/N=C/c2c[nH]c3ccccc23)nnc1SCC(=O)Nc1ccc2c(c1)OCCO2 20527851 AUKMHYSGKDDXJS-BHGWPJFGSA-N 464.511 2.421 30 10 JEEE C=CCn1c(C)c(CCC(=O)N2CCN(C(=O)OCC)CC2)c(=O)n2nc(-c3ccccc3)nc12 21349731 RIJZPXSSOPTDSN-UHFFFAOYSA-N 478.553 2.286 30 10 JEEE C=CCSc1nnc(NC(=O)CSc2n[nH]c(N/N=C/c3cnn(CC)c3)n2)s1 59312016 ITUDMVJKPIMOTR-OMCISZLKSA-N 450.579 2.328 30 10 JEEE COc1ccc(/C=N/Nc2nc(SCC(=O)NCC(C)C)n[nH]2)cc1OCn1cccn1 59817905 OJWMJIJAXQXWPF-SSDVNMTOSA-N 458.548 2.357 30 10 JEEE CCOC(=O)[C@@H]1CCCN(c2nc(O)c3c(n2)NC(=O)[C@H](C#N)[C@H]3c2cc([N+](=O)[O-])ccc2F)C1 256034171 WQAOWETVEGVWPK-DJSGYFEHSA-N 484.444 2.233 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)CNc2ccc(OCC=C)c(-n3cnnn3)c2)nc1C 586269903 YTNCLUHHZRSDNM-UHFFFAOYSA-N 455.500 2.385 30 10 JEEE COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1-c1ccc(Cl)cc1 590974722 FPEZREITNJFYOM-OAHLLOKOSA-N 453.951 2.207 30 10 JEEE CCCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1cccc(Cl)c1 729668527 LTYOFVRXRJQZFL-UHFFFAOYSA-N 463.950 2.229 30 10 JEEE O=C(NCC#CC(=O)N1C[C@@H]2CCO[C@]2(C(=O)O)C1)OCC1c2ccccc2-c2ccccc21 757470308 FTMCEEDQZVTEAM-MRDQGFSESA-N 460.486 2.231 30 10 JEEE CC(=NNc1nc(SCC(=O)N2CCN(C)CC2)n[nH]1)c1ccc(Br)cc1 1084336635 ZJUQQYCXAVATOJ-UHFFFAOYSA-N 452.382 2.269 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(C(N)=O)cc1 1286296709 RDRXHGCFWBCWPS-VQIMIIECSA-N 468.558 2.192 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@H](C)CN2CCCC2)c1 1286310205 XSIFPGPTACJWTC-HXUWFJFHSA-N 477.613 2.302 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2Cc2cnn(CCOC)c2)c1 1286310232 RRAFAVQUOCMCSZ-UHFFFAOYSA-N 470.537 2.288 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCOCCCC)[C@H]1CCS(=O)(=O)C1 1286384841 UCLAOXFYVRAUOY-INIZCTEOSA-N 484.420 2.479 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1cc(F)cc(OC)c1)[C@H]1CCS(=O)(=O)C1 1286392708 JSLKYTYKXKKYSX-ICSRJNTNSA-N 462.547 2.342 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Oc1ccc(Cl)cc1 1286447491 KRKVCPKAKJPWKI-VQIMIIECSA-N 482.006 2.191 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(Br)cc3)n2CCc2n[nH]c(C)n2)CC1 1286485312 YMKFCBVTBXOGKU-UHFFFAOYSA-N 485.390 2.044 30 10 JEEE C#CCSCCn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1286505558 DXQCAJYMEJLMIW-UHFFFAOYSA-N 466.655 2.288 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)cn2C)n1CCN1CCCS1(=O)=O 1286515316 GWOSJOXVMKEXOC-LJQANCHMSA-N 481.420 2.074 30 10 JEEE C=C(Br)Cn1c([C@H]2CCCCO2)nnc1N1CCN([C@H](C)C(=O)NCCCOC)CC1 1286539544 ZJADHUVCDDCNNL-QZTJIDSGSA-N 499.454 2.092 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCO[C@H](COC)C2)nnc1[C@]1(OC(C)C)CCOC1 1286565195 YQKOPHBPEABGFW-NVJIOZQYSA-N 450.580 2.152 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1C[C@@H](COC)O[C@H](C)C1 1286784809 UOOITWNMRFYADG-CABCVRRESA-N 464.364 2.250 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCS[C@H](CC)C1 1286786521 FYMHHWRUFCOSDR-MRXNPFEDSA-N 467.599 2.309 30 10 JEEE C=CCOc1ccccc1Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H](C(=O)OC)C1 1286798490 IHBHYHMRBRZZKZ-IBGZPJMESA-N 453.543 2.403 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@](C)(O)CC)C1 1286805906 VGXXGQPLWQHSFK-PGRDOPGGSA-N 463.604 2.138 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCN2C(=O)OC(C)(C)C)C1 1286810438 RFUJSAPATDNBNE-GUDVDZBRSA-N 495.646 2.361 30 10 JEEE CC(=O)N(C)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)N2CCOCC2)CC1 1286840563 HKGSIZNLZSVOGX-UHFFFAOYSA-N 465.602 2.375 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1C[C@]1(O)CCC[C@H]1C 1288152906 HKVPAXJIOFGLFF-MZNJEOGPSA-N 469.565 2.305 30 10 JEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(F)(F)F)CC1 1300365548 YTCKRFKTCHRKOM-MRXNPFEDSA-N 463.526 2.193 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1CCCO[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1300486799 BGYJOUOJVOPPMH-WOJBJXKFSA-N 458.584 2.076 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCSc1nccs1)[C@H]1CCS(=O)(=O)C1 1300496744 UPSPEJMEVMNDLX-CVEARBPZSA-N 467.642 2.048 30 10 JEEE C#CCN(c1nnc(CC2CCCC2)n1CC1CCN(C(=O)OC)CC1)[C@@H]1CCS(=O)(=O)C1 1300502815 YATWLCCPSVXBTB-HXUWFJFHSA-N 477.631 2.116 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H](C)CN1CCN(CC)CC1 1300561441 RIJIAXSPPPJUEZ-JOCHJYFZSA-N 496.681 2.085 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2cccc(C(=O)N[C@H](C)CC)c2)CC1 1300710866 OHKVFYLVYWEUFF-QDSKXPNFSA-N 494.640 2.334 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1300716966 VPGNDYZWEPFQRH-FQEVSTJZSA-N 478.597 2.178 30 10 JEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC(CCCN2CCOCC2)CC1 1300733175 SVEVBFIKZBOIFV-UHFFFAOYSA-N 474.675 2.209 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCc2ccccc2C1 1300915791 QGBMDCZKFDDPNR-JOCHJYFZSA-N 488.658 2.072 30 10 JEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2ccc(Cl)cc2)C1 1301458076 NDGGFVRCBLLNND-ZWKOTPCHSA-N 467.979 2.028 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(CCOc2ccccc2Cl)CC1 1301491535 SIECNXIFAHRNSL-UHFFFAOYSA-N 481.988 2.497 30 10 JEEE CC(C)NC(=O)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCO[C@@H](C#N)C1 1303453006 AYWPHQHOAUHWEF-AWEZNQCLSA-N 453.330 2.417 30 10 JEEE CCCn1nc(-c2nnc(N(C)[C@H](C)CC#N)n2CCS(=O)(=O)CC)c2ccccc2c1=O 1313452361 HACLYVHKUUOSLM-MRXNPFEDSA-N 471.587 2.238 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@]1(O)CCS(=O)(=O)C1 1358896415 CSAVOPJQLVKOHC-WZONZLPQSA-N 460.600 2.296 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1cc(C2CC2)ccc1F)[C@H]1CCS(=O)(=O)C1 1358955424 LREPJSLDTFYIQN-IBGZPJMESA-N 473.574 2.108 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CCc1ccc(OC)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1358964781 HKVHHQGWGYEQEH-HXUWFJFHSA-N 483.569 2.281 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCCCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1358965498 WKKNPKGKEITJQW-FQEVSTJZSA-N 487.655 2.246 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@H]1CCOC[C@@H]1OC 1358976536 HSVNPNPRHJSCKG-KNQAVFIVSA-N 474.565 2.360 30 10 JEEE C#CCN(CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@H]1CCCCS1(=O)=O 1359012617 SWVUEWUEELKIAE-QHCPKHFHSA-N 484.670 2.070 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2Cc2cnccc2OC)CC1 1359042635 ODGQBZQJFOROHW-UHFFFAOYSA-N 460.538 2.371 30 10 JEEE C#CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(CNC(C)=O)CC1 1359052331 BBGHWJGFKYOCQQ-UHFFFAOYSA-N 455.584 2.435 30 10 JEEE C#CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(S(C)(=O)=O)CC1 1359052756 OQVIJMGBVDDSKS-UHFFFAOYSA-N 462.597 2.096 30 10 JEEE C#CCSCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(C(C)=O)CC1 1359056621 ILCMELOKYPKRGT-IBGZPJMESA-N 476.647 2.428 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1359092796 GKYVIKGQAUYWBC-OHVLKYKYSA-N 486.569 2.304 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCS(=O)(=O)NC)CC1 1359165299 MELDBDYQYIOMIU-QGZVFWFLSA-N 468.624 2.098 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1359304213 QHCBHVUCSQVMRO-HXUWFJFHSA-N 475.557 2.081 30 10 JEEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCCN(C(=O)C(C)C)CC1 1359304246 RPOHNGIXCHQNET-UHFFFAOYSA-N 454.575 2.162 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N(C)[C@@H]1CCCN(c2ccccc2)C1 1359327018 POZJRULZCXBXHT-HXUWFJFHSA-N 474.631 2.122 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)c(Br)c2)nnc1N(C)CCC(=O)NC 1359328424 CZLKTQDFIJDQED-UHFFFAOYSA-N 484.420 2.189 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1359334270 YZKLZNKIFMQVSO-IBGZPJMESA-N 477.606 2.350 30 10 JEEE CN(CCO)S(=O)(=O)c1ccc(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)cc1 1446668370 CABDADLDEQNSCY-UHFFFAOYSA-N 459.915 2.262 30 10 JEEE C=CCC1(O)CCN(C(=O)c2cccc(S(=O)(=O)NCc3ccc4c(c3)OCO4)c2)CC1 1471935943 NKUZNTCPEAIDAL-UHFFFAOYSA-N 458.536 2.437 30 10 JEEE C#C[C@H](NS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)cc1)C1CCOCC1 1475514723 KPQFIERXRDPQSL-FIKGOQFSSA-N 454.614 2.060 30 10 JEEE CCCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCO[C@H]2C)CC1 1501141966 CHJLCDYSLZFNMD-AVRWGWEMSA-N 482.585 2.011 30 10 JEEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CCc1ccc(F)cc1C)[C@@H]1CCS(=O)(=O)C1 1507628593 XRVBJUCOQTUIPG-ZJSXRUAMSA-N 490.601 2.247 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1cc(C(C)(C)C)no1)[C@H]1CCS(=O)(=O)C1 1507633597 UDSLMZNCSZDEMS-FUHWJXTLSA-N 461.588 2.480 30 10 JEEE C#CCN1CCN(c2nnc(CSc3ccccc3OC)n2C[C@]2(C)COCCO2)CC1 1507732103 CBVKBSILAGSOJF-HSZRJFAPSA-N 457.600 2.140 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCC(=O)NC 1507799348 RJLOZGJPEUMSJM-BJLQDIEVSA-N 492.621 2.140 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](COC)C1 1508091005 QZYSYIWCCJTMCX-MSOLQXFVSA-N 462.595 2.168 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCC(C(=O)N2CCCC2)CC1 1508143190 FPTNELNTTNDODY-UHFFFAOYSA-N 477.656 2.370 30 10 JEEE C=C(C)Cn1c(SCC(=O)NC[C@H]2CCC[C@@]23NC(=O)N(C)C3=O)nnc1-c1ccco1 1524726187 YECVNISTCNARBL-SPLOXXLWSA-N 458.544 2.043 30 10 JEEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cn(-c2ccccc2Br)nn1 1533848277 AUKIVZLTVABRMU-CYBMUJFWSA-N 453.304 2.042 30 10 JEEE C#CCCCn1c(CCc2ccc(OC)cc2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1539133771 KBKNJTWDNCLIEA-LJQANCHMSA-N 462.558 2.017 30 10 JEEE C#CCCCn1c(COc2ccccc2OC)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1539139751 OMBAMHBJVXALSK-FQEVSTJZSA-N 466.586 2.022 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCCc1nnc(C)s1)[C@H]1CCS(=O)(=O)C1 1539207184 ZRNASUOVTYAZHG-SFHVURJKSA-N 486.623 2.373 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(OC(F)F)cc2)CC1 1539467188 OJLJWMSPOVEVJO-UHFFFAOYSA-N 486.523 2.130 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCCn2cccn2)CC1 1539474263 MKJBWJJHOPEMGI-UHFFFAOYSA-N 477.569 2.215 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2c(C)cccc2C)CC1 1539481258 JNCLYMGEKONJCJ-NRFANRHFSA-N 483.638 2.006 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@H](OCC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 1556457272 AQLWMJBGQRZJCJ-VQTJNVASSA-N 456.543 2.191 30 10 JEEE CC(C)(C)OC(=O)N1CCCO[C@@H](CNC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)C1 1564745708 CHPWOQGSWSDRJC-NRFANRHFSA-N 457.575 2.411 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCS(=O)(=O)CC 1587621086 OCQHEEIYLQFURU-INIZCTEOSA-N 456.572 2.129 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1588030291 SCGICSXAZZANMQ-NJDAHSKKSA-N 488.610 2.077 30 10 JEEE C#CCN(c1nnc(CC2CCCC2)n1CCCNC(=O)c1occc1C)[C@@H]1CCS(=O)(=O)C1 1588064498 JDFOZVNTRXEDOB-HXUWFJFHSA-N 487.626 2.359 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)c2ccccc2)CC1 1593741518 QYPWSFZKPYVFJZ-FQEVSTJZSA-N 452.559 2.174 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)NCCCOC(C)C)CC1 1593885220 MEHLWWLZCXZTNU-GOSISDBHSA-N 488.054 2.080 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1595778075 VSAAJNWIWKGWPV-CQSZACIVSA-N 489.495 2.190 30 10 JEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CN2C[C@H](C)O[C@H](C)C2)CC1 1595884455 LTQUQXSLZSNEQK-SVFBPWRDSA-N 497.731 2.425 30 10 JEEE COc1ccc(C(=O)Nc2ccccc2-n2cnc(C#N)n2)cc1S(=O)(=O)N1CCCC1 1596366855 BMACBYPXIKGAIK-UHFFFAOYSA-N 452.496 2.184 30 10 JEEE CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2([S@@](C)=O)CC2)CCN1CCOC 1614222424 BIQQCTZUTJBASB-QTYPKTMWSA-N 456.616 2.275 30 10 JEEE Cn1cc([C@@H]2CCCN2c2nnc(COc3ccc(C#N)cc3)n2CCCS(C)(=O)=O)cn1 1618397813 DJUZNLODFCPRDP-FQEVSTJZSA-N 469.571 2.238 30 10 JEEE CNC(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2nccnc2C)C1 1618653461 FINQYDXTJUNAJY-IBGZPJMESA-N 460.542 2.032 30 10 JEEE N#Cc1ccc(S(=O)(=O)N2CCC([C@@H]3OCC[C@H]3NC(=O)C(F)(F)F)CC2)c(Cl)c1 1622133023 IBDRYAMRDZKEAP-ZBFHGGJFSA-N 465.881 2.448 30 10 JEEE C=CCOC[C@H](NC(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1)C(=O)OC 1635158468 BNHHMGUUQZQWCI-KRWDZBQOSA-N 453.333 2.162 30 10 JEEE CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)N2CC(Nc3cccc(C#N)c3)C2)cc1 1641580689 VHHQVDKDYWJCLN-UHFFFAOYSA-N 454.552 2.484 30 10 JEEE C=CCc1ccc(OCC(=O)N[C@H]2CC(=O)N(C3CN(C(=O)OC(C)(C)C)C3)C2)c(OC)c1 1646407862 DUDDCWIJUYSSRY-KRWDZBQOSA-N 459.543 2.139 30 10 JEEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC(n3cnc4ccccc4c3=O)CC2)cc1 1648903748 SRYARWXGNCEXCQ-UHFFFAOYSA-N 452.536 2.338 30 10 JEEE CCOC(=O)c1c(NC(=O)N2CCN(C(=O)c3ccsc3)CC2)c(C#N)cn1CCOC 1660530021 GPCKDHLHHDBJEL-UHFFFAOYSA-N 459.528 2.234 30 10 JEEE C=CCN(C(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1)[C@H]1CCS(=O)(=O)C1 1672634844 MSPYJEJPVCEQPM-WMZOPIPTSA-N 455.602 2.314 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CC1(CCOCC)CCC1)[C@@H]1CCS(=O)(=O)C1 1689991192 XXNKDOMMLRMVQP-VQTJNVASSA-N 464.632 2.396 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCC[C@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1689996770 NZLSMYQRDQHAMW-NHCUHLMSSA-N 474.631 2.116 30 10 JEEE C#CCN(CCOC)c1nnc(-c2c[nH]c3ccccc23)n1CCN/C(O)=C1/N=CC=CC1=O 1690101083 NQULYALHVURYJU-LNVKXUELSA-N 459.510 2.039 30 10 JEEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(-n2nc(C)cc2C)nc1 1690106159 MECNPNNIZRBGNF-UHFFFAOYSA-N 473.585 2.472 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC(C)(C)N2CCCCC2)CC1 1690113710 RJSWFKXNMGJCHS-VWLOTQADSA-N 458.651 2.338 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1690115406 FHGZTRGTDRTBEV-IBGZPJMESA-N 455.628 2.433 30 10 JEEE C#CCN1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2C[C@H](CCC)OC)CC1 1690122499 SRAYQVVXDBEPGS-IBGZPJMESA-N 463.586 2.245 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CC(C)(C)OC)CC1 1690137915 LPTMTTJQGKNTAI-UHFFFAOYSA-N 485.585 2.362 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCCn2ccnn2)CC1 1690152809 YKLWUJBPVITKHM-UHFFFAOYSA-N 482.976 2.158 30 10 JEEE C#CCSCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC(NC(C)=O)CC1 1690158044 WCMBIGLIXZXMRI-UHFFFAOYSA-N 489.671 2.018 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1690243149 HQNLRGWXRHGVJS-IHPCNDPISA-N 487.605 2.390 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)Nc2ccc(C)cn2)CC1 1690345825 DLACGCWDZFOBSO-QGZVFWFLSA-N 479.006 2.491 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@H](C)c1cc2ccccc2o1 1690659646 ZAVOZJZNRYCHEI-LSDHHAIUSA-N 460.560 2.134 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC(C(=O)NCc2ccc(C)c(F)c2)CC1 1690670399 AWCLQVYWKJTQOQ-NRFANRHFSA-N 498.603 2.455 30 10 JEEE C=CCNC(=O)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CC[C@@H](CC)C1 1690675059 OOIIMNPCLBYCMS-OAQYLSRUSA-N 451.619 2.181 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1CCC(=O)N1CCOCC1 1705482257 VYRRQOCVYUJWDF-HNNXBMFYSA-N 476.375 2.423 30 10 JEEE C#CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN2C(=O)CC[C@H]2C1 1705508105 JPOBKXJKQHAXHU-IBGZPJMESA-N 454.962 2.476 30 10 JEEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1705525571 NJONUTNQOXGGPB-GOSISDBHSA-N 475.391 2.287 30 10 JEEE C#CCN(c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1705563019 OWUISAHSSIANNX-MBSDFSHPSA-N 476.599 2.140 30 10 JEEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCCCS(C)(=O)=O 1705614291 DPOWXVNSAHNCJS-GOSISDBHSA-N 483.635 2.261 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H](C)Oc2cccc(OC)c2)CC1 1705643313 ARPWTPINCGPWOZ-QTEQDKRBSA-N 469.586 2.233 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2C[C@@](C)(O)C(C)C)CC1 1705650377 PTPXULABBMSDGE-RUZDIDTESA-N 453.587 2.272 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCOC(F)(F)F)CC1 1705651216 NWXMVMOCTWRESN-UHFFFAOYSA-N 467.496 2.032 30 10 JEEE C#CCSCCn1c(COc2ccccc2F)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1705665994 KFRAKWMMDFFFGG-SFHVURJKSA-N 493.630 2.367 30 10 JEEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)N2CCCC2)CC1 1705890952 RJHOLOGQIWZSLD-GOSISDBHSA-N 475.594 2.110 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(=O)C(C)C)CC1 1705897775 UAKSCZIZHXECON-QGZVFWFLSA-N 458.538 2.164 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2CC(=O)N(CCOC)C2)C1 1705917646 XDFCRZDAZKWKCD-NVXWUHKLSA-N 493.406 2.312 30 10 JEEE CC(C)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2ccn(C)n2)CC1=O 1706514723 FWOAARNSWLEPAS-UHFFFAOYSA-N 462.558 2.010 30 10 JEEE CCCNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1709829006 AQMZMNPMUNKLTA-OAQYLSRUSA-N 478.601 2.315 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1Cc1nnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1722363916 CPMZQUSTCAIISA-GOSISDBHSA-N 456.597 2.012 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@H]1CCN(CCC)C1)[C@@H]1CCS(=O)(=O)C1 1722364009 DKNLFMKVHDVHLH-RBBKRZOGSA-N 485.654 2.236 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCN(CC)CCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1722365712 DYVMVXCAYXWWOY-QZTJIDSGSA-N 491.580 2.421 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC(C)(C)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1722369089 VMRYLFXBIQSSRN-UXHICEINSA-N 463.648 2.411 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CSCCS1 1722380527 OUILTRSLIGESLF-INIZCTEOSA-N 450.593 2.113 30 10 JEEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCn1cc(Br)cn1 1722410068 PXELAKXNGLYOPS-UHFFFAOYSA-N 491.419 2.357 30 10 JEEE C=CCCCn1c(-c2cccn2C)nnc1N1C[C@@H]2[C@H](C1)[C@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1722613796 PZDJKLFRHNDTPF-ZHALLVOQSA-N 490.630 2.376 30 10 JEEE C=CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CCOC)CC1 1722616316 OYPGPULMRXKOCM-LJQANCHMSA-N 464.611 2.321 30 10 JEEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1722638113 NFHBYCYVLBMWPW-QZTJIDSGSA-N 461.636 2.360 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cnccn2)n1Cc1ccc(C(N)=O)nc1 1722652867 OSCJUFRJXJFQOF-UHFFFAOYSA-N 456.510 2.479 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C)CN(C)C(=O)OC(C)(C)C)C1 1722719044 PVSVTPGNCQGCFK-IPMKNSEASA-N 497.662 2.465 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(Cc2ccccc2)C[C@@H]1C 1722730212 LQTJMQVCSFPPFC-QFIPXVFZSA-N 497.669 2.451 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@]1(O)CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1740618985 FDYKUHGWHCKRKZ-HYBUGGRVSA-N 467.595 2.385 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1CC1(O)CCN(C(C)C)CC1 1740632777 ONHKCGWHIGZDEP-UHFFFAOYSA-N 459.392 2.344 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCN1CCCS1(=O)=O 1740680393 ZWZMKQHSJNWRKM-UHFFFAOYSA-N 496.637 2.474 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2(CCOC)CCCC2)CC1 1740690607 XZDJSPLFYALJRR-UHFFFAOYSA-N 451.575 2.278 30 10 JEEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@H](C)N2CCN(CC)CC2)CC1 1740699771 SSJUHTFNOSBTOM-XMMPIXPASA-N 479.673 2.255 30 10 JEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 1740793635 UYWFXXOIQKHOOD-LJQANCHMSA-N 472.977 2.324 30 10 JEEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1740796330 VFXBIGUHDYJDCS-YKSBVNFPSA-N 498.676 2.111 30 10 JEEE C=CC1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCS(=O)(=O)CC)CC1 1740840162 TYBPPCPFDVGSAE-UHFFFAOYSA-N 459.620 2.289 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCNS(=O)(=O)c1ccc(C)s1 1748641383 GHIMSXFWWPNFJQ-IERDGZPVSA-N 481.644 2.125 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(C)n2)n1CC(=O)N1CCN(c2ccccc2)CC1 1748959201 OZTXJPCMKQFCAU-UHFFFAOYSA-N 473.581 2.083 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1c(C)noc1C 1749119334 QDSNGPZROWSDOV-ZVZYQTTQSA-N 452.581 2.111 30 10 JEEE C=C(Cl)Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1749264623 AWHSYDJLOCZKHG-KRWDZBQOSA-N 466.995 2.032 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cnc(C)s1 1749590968 KEITUSSACVEZCG-IBGZPJMESA-N 492.627 2.252 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](c2ccccc2OC)C1 1749650754 GTLYDOWONGQUCX-KRWDZBQOSA-N 461.526 2.230 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1749677309 VNNBZUOFMVRGIV-UHFFFAOYSA-N 459.645 2.236 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@](C)(c2ccccc2)C1 1749721481 LBCGQYWVYCBHDD-XMMPIXPASA-N 496.593 2.278 30 10 JEEE Cc1cccc(C(=O)NCCn2c(CNC(=O)c3cccs3)nnc2N2CC[C@@](F)(C#N)C2)c1 1751593065 FZXROOQTNCUIAT-HSZRJFAPSA-N 481.557 2.450 30 10 JEEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1C[C@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1760179715 XQQUVZPWEVZOEY-HVTWWXFQSA-N 475.590 2.096 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(F)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 1760180309 BYNCSHUTXHPAKF-VGSWGCGISA-N 496.992 2.398 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1CC1(O)CCCCC1)[C@H]1CCS(=O)(=O)C1 1760185459 XNTIGOYWVORWHQ-SFHVURJKSA-N 488.610 2.284 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1CCc1ccc(Cl)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1760187933 MBYXTDRVWYABOH-ZWKOTPCHSA-N 479.002 2.313 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCNC(=O)c1ccccc1F 1760211598 KFQASWNBTRULCR-RUZDIDTESA-N 467.545 2.351 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(OCC(C)C)c1 1760233646 NIXSVFKTLWDNCP-OAQYLSRUSA-N 475.615 2.154 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cnccc1OC 1760249693 QPPUWQYLUQCMNF-LJQANCHMSA-N 486.573 2.124 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCCC(F)(F)C2)CC1 1760261141 HHXNMYCSPGVIIE-ROUUACIJSA-N 455.575 2.151 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCCN(C)C(=O)OC(C)(C)C)CC1 1760265329 XINKTCVZCSWOFX-PMACEKPBSA-N 476.622 2.014 30 10 JEEE C=C(Br)Cn1c(N2C[C@H](CC)[C@@H](N3CCOCC3)C2)nnc1[C@@]1(OCC)CCOC1 1760313925 HSOTYCKIWDJECD-BBTUJRGHSA-N 484.439 2.386 30 10 JEEE C=CCCCCn1c(COc2ccc(C)cc2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1760429600 JUEGESOIQBMFDS-UHFFFAOYSA-N 496.612 2.029 30 10 JEEE C=CCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1760508794 MACGAGXIVKEQDQ-AWEZNQCLSA-N 487.362 2.434 30 10 JEEE C=CCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCC(C(=O)NCCOC)CC1 1760509552 OGKYEINEQXAJOW-UHFFFAOYSA-N 479.585 2.401 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@@H](C)[C@H]1CC 1760553918 LVSRKDDQNLLOJR-SJLPKXTDSA-N 480.660 2.464 30 10 JEEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccc(C)cc2)CC1 1760565435 XEQVTIJMYOUTMW-LJQANCHMSA-N 454.600 2.419 30 10 JEEE CO[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1)C(C)(C)C 1768083944 HFCNHPFGNWMJFY-LJQANCHMSA-N 460.604 2.350 30 10 JEEE COc1ccc(CCn2c(C(=O)NC(C)C)nnc2N2CCN(c3cc(C#N)ccn3)CC2)cc1F 1768596718 HRYNJDNVIFZWDH-UHFFFAOYSA-N 492.559 2.400 30 10 JEEE CN(Cc1cccc(C#N)c1)c1nnc(-c2cnn(C)c2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1768659709 HOILERTZURYQPU-LJQANCHMSA-N 474.491 2.450 30 10 JEEE O=C(O)CCOCCOCCC(=O)NCCC(=O)N1Cc2ccccc2C#Cc2ccccc21 1857792064 QUADKMWDSMAPKF-UHFFFAOYSA-N 464.518 2.337 30 10 JEEE C=CCOc1ccccc1[C@H]1C(C(=O)N2CCN(C(C)=O)CC2)=C(N)Oc2c1c(CCC)nn2C 1865223695 CCQRUGLJPIBUFX-OAQYLSRUSA-N 479.581 2.323 30 10 JEEE C=CCOc1ccccc1[C@@H]1C(C(=O)N2CC(O)C2)=C(N)Oc2c1c(C(F)(F)F)nn2CC 1865224791 CDDXUZQCLFRHCO-HNNXBMFYSA-N 464.444 2.384 30 10 JEEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1cccc([N+](=O)[O-])c1 1865723221 LBOPHYIHAPENMB-QGZVFWFLSA-N 485.541 2.164 30 10 JEEE Cc1nnc2sc(CCC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)Nc3ccc(C#N)cc3)nn12 1867041537 DAXVAEJLWYEWTB-IBGZPJMESA-N 475.534 2.370 30 10 JEEE COc1cccc(N2CCN(C(=O)CNC(=O)C3CCN([C@H](C#N)c4cccs4)CC3)CC2)c1 1868782326 HCKADCAWUSDBDA-JOCHJYFZSA-N 481.622 2.498 30 10 JEEE C#CCOc1cn(CCCN2CCOCC2)c(CN2CCN(c3ccc(F)cc3)CC2)cc1=O 1870560139 IYTCGXVWFQYNOX-UHFFFAOYSA-N 468.573 2.044 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)Nc2nc(C)c(C(C)=O)s2)cn1C[C@@H](C)O 1870587020 YMECVXKSXXQQGU-OAHLLOKOSA-N 474.583 2.388 30 10 JEEE C=CCn1cc(OCC(=O)Nc2ccc(OC)cc2)c(=O)cc1CN1CCC2(CC1)OCCO2 1870740098 NLGLAGNJHZPJHN-UHFFFAOYSA-N 469.538 2.399 30 10 JEEE C=CCN(CC=C)c1nc(=NCCCN2CCOCC2)[nH]c(=Nc2cc(NC(C)=O)ccc2C)[nH]1 1871623313 ZYBDBERPJRHREA-UHFFFAOYSA-N 480.617 2.038 30 10 JEEE CCN(CC)CCCCNC(=O)c1nonc1OCC(=O)Nc1sc2c(c1C#N)CCC2 1872707566 XHYZLOHQUTXWOY-UHFFFAOYSA-N 460.560 2.361 30 10 JEEE Cc1ccc(Cc2nnc(SCC(N)=O)n2/N=C/c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 1874387791 FRNSDXZSMRUAQT-FOKLQQMPSA-N 468.495 2.316 30 10 JEEE COc1ccc(S(=O)(=O)N2CCC(OCC#CCN3CCN(C(C)C)CC3)CC2)cc1C 1889739140 INPVVTPKGGNFAA-UHFFFAOYSA-N 463.644 2.203 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2180983332 OTJKDEXAKYQQMS-KRWDZBQOSA-N 482.408 2.252 30 10 JEEE C#CCN(C(=O)C(F)(F)C1(O)CN(C(=O)OC(C)(C)C)C1)C1CCN(C(=O)OC(C)(C)C)CC1 2200883376 JONWANFNCUZDJG-UHFFFAOYSA-N 487.544 2.465 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ccsc2B2OC(C)(C)C(C)(C)O2)[C@@H](O)C1 2255641029 NUYORTNYFSIEBT-GJZGRUSLSA-N 452.382 2.147 30 10 JEEE CO[C@H]1CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C[C@@H]1NC(=O)OC(C)(C)C 2255706492 JWIGRGBAOHKPOK-KBPBESRZSA-N 452.382 2.411 30 10 JEEE C[C@H](CNC(=O)OC(C)(C)C)NS(=O)(=O)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2255799555 KHPBWZXFYVRMQW-OAHLLOKOSA-N 454.398 2.318 30 10 JEEE C[C@@H](CNS(=O)(=O)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)NC(=O)OC(C)(C)C 2255800299 RKFDVSCVRHBOHT-HNNXBMFYSA-N 454.398 2.318 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2C(NS(=O)(=O)c3sccc3B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2255947959 HCYLENLEGAZAFW-CHWSQXEVSA-N 470.422 2.191 30 10 JEEE CC(C)[C@](C)(CNC(=O)OC(C)(C)C)NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2267182572 AIUZYRLSKCOJQW-QFIPXVFZSA-N 450.389 2.389 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)CO1 2267289741 UIVSSISRFZPLPW-GJZGRUSLSA-N 450.341 2.238 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@]2(NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2267379416 YAPHWSLBVLFHBU-OYHNWAKOSA-N 464.393 2.274 30 10 JEEE CC1(C)OB(c2cscc2S(=O)(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)OC1(C)C 2267723390 SLSDFGBKBDQNKL-GOSISDBHSA-N 473.429 2.446 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@H](CC(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)C1 2268646601 UQHVTSXCQCZOBL-AWEZNQCLSA-N 467.397 2.085 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)N(C)[C@H](C)c1nscc1B1OC(C)(C)C(C)(C)O1 2268651933 CMLFGGPPSNOWPN-WOSRLPQWSA-N 469.413 2.236 30 10 JEEE CC(C)(C)OC(=O)NC[C@H](CO)C(=O)Nc1ccc(F)c(F)c1B1OC(C)(C)C(C)(C)O1 2268711407 NJJKREIISDWWSC-GFCCVEGCSA-N 456.295 2.336 30 10 JEEE CC(C)(C)OC(=O)NCCN1CCN(C(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)CC1 2281935945 HCKGBPJXXDMFPQ-UHFFFAOYSA-N 459.396 2.268 30 10 JEEE CC(C)(C)OC(=O)N1CCC(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)(C(F)F)CC1 2281987522 ZMYXRFUDJWDIPN-UHFFFAOYSA-N 470.326 2.474 30 10 JEEE Cn1cc(C(=O)N[C@]23CCC[C@@H]2CN(C(=O)OC(C)(C)C)C3)nc1B1OC(C)(C)C(C)(C)O1 2282042365 CENKAWQVMOTLKR-CMJOXMDJSA-N 460.384 2.239 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C1 2282045670 ZZDAPNYWKSFEDZ-HOTGVXAUSA-N 460.384 2.048 30 10 JEEE Cc1nn(C)c(C(=O)N[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2282057706 KNFJMBKXSVENKX-HOTGVXAUSA-N 462.400 2.451 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@](F)(CNC(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282533337 JYFHDNNNSNUFTA-QFIPXVFZSA-N 468.331 2.284 30 10 JEEE Cn1cc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C23CCC3)nc1B1OC(C)(C)C(C)(C)O1 2282551577 FBOOPFZPMCOJQU-INIZCTEOSA-N 460.384 2.381 30 10 JEEE Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O 2282684281 ORDDRLMWBAJVNX-ZWKOTPCHSA-N 460.380 2.394 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C[C@@H]1CCO 2282702356 HAHDQZGOYPGTJM-IBGZPJMESA-N 460.380 2.430 30 10 JEEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)N2CC[C@](C)(NC(=O)C(F)(F)F)C2)OC1(C)C 2282841886 YNRDNOKVFURGNY-SFHVURJKSA-N 496.744 2.471 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CCC(N)=O)C(=O)Nc1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2284121787 GHLWEFAXBVFIAW-INIZCTEOSA-N 465.331 2.222 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1S(=O)(=O)N[C@@H](COCc1ccccc1)C(=O)O 2284401652 JGQBZIVJFRXVHP-IBGZPJMESA-N 475.372 2.243 30 10 JEEE COc1ccc(Cc2nnc(SCC(N)=O)n2N=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 2329258404 AWHDMFRSNMCYOQ-UHFFFAOYSA-N 484.494 2.017 30 10 JEEE COc1[nH]c(=N[C@@H]2CCOC[C@@H]2NC(=O)OCc2ccccc2)ccc1B1OC(C)(C)C(C)(C)O1 2339788087 KECVZBFJKIWWBR-UXHICEINSA-N 483.374 2.307 30 10 JEEE Cn1ncc(C(=O)N[C@@H]2C[C@@H]3C[C@H]2C[C@H]3NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2359263571 XFAGOFYAQGKXJR-XJNFMUPTSA-N 460.384 2.141 30 10 JEEE COc1cccc(C(=O)CSc2nnc(N/N=C/c3cc(OC)c(O)c([N+](=O)[O-])c3)n2N)c1 21326830 KIDFRQZXGFVULB-ZVBGSRNCSA-N 473.471 2.044 30 10 JEEE CCCn1c(N2CCN(CC)CC2)c(/C=C2/SC(=S)N(CCOC)C2=O)c(C)c(C#N)c1=O 33812556 DSZNKPHCFUYRPI-XMHGGMMESA-N 489.667 2.428 30 10 JEEE COc1ccc(-c2ncc(C#N)c(=O)n2CC(=O)Nc2cc(OC)c(OC)c(OC)c2)cc1 65118292 AOWUGCQCHLOMEZ-UHFFFAOYSA-N 450.451 2.455 30 10 JEEE COc1cccc([C@H]2/C(=C(/O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN(C)C)c1OC 102544150 ZIHVLBXTEVEXGF-AGGMBTAESA-N 468.506 2.458 30 10 JEEE C[C@H]1C[C@@H]2[C@H]3CC[C@@](O)(C(=O)COC(=O)CCC(=O)O)[C@@]3(C)C[C@H](O)[C@H]2[C@@]2(C)C=CC(=O)C=C12 263599003 IMBXEJJVJRTNOW-CBGOXBBHSA-N 474.550 2.219 30 10 JEEE C#CCN(C(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S)[C@@H]1CCS(=O)(=O)C1 729332718 VWEUWPFWFKEKTB-RGHBXIHOSA-N 468.647 2.378 30 10 JEEE C#CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@](C)(O)CC(=O)O 757308961 ZISBVTOQCRTLHB-PXDATVDWSA-N 450.491 2.259 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1C[C@@H](CCC)OC)[C@H]1CCS(=O)(=O)C1 1286380815 DNPQEWDGTKFKJU-DLBZAZTESA-N 498.447 2.488 30 10 JEEE C#CCN(c1nnc(-c2ccccc2F)n1CCC(=O)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 1286387919 WPJVKFBRZCABQI-SFHVURJKSA-N 473.574 2.114 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1cc(Cl)c(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1286390570 AXSAUIJAMBKPSM-IRXDYDNUSA-N 495.001 2.128 30 10 JEEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1cccc(C(C)(F)F)c1)[C@H]1CCS(=O)(=O)C1 1286392644 MLQRTSLYAKCGMW-IBGZPJMESA-N 491.564 2.187 30 10 JEEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cccc(C(=O)NC)c1 1286445844 BZOILTRDLSVSSL-HXUWFJFHSA-N 482.585 2.454 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@](C)(O)c1ccsc1 1286459140 ARARVGJKPAXINT-JOCHJYFZSA-N 474.608 2.404 30 10 JEEE C#CCN1CCN(c2nnc(-c3cnccn3)n2Cc2cccc(C(=O)N[C@H](C)CC)c2)CC1 1286477326 XHHJSIHTSAUQED-LJQANCHMSA-N 458.570 2.067 30 10 JEEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CCCS(=O)(=O)c2ccccc2)CC1 1286481646 IOLFFHZPWXRHJG-UHFFFAOYSA-N 484.651 2.253 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2CC2(COC)CCOCC2)CC1 1286484037 GGACCPYMSQVGGA-UHFFFAOYSA-N 457.550 2.195 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CC[C@H](C)N2CCCCC2)CC1 1286493024 SJAOQCDCOJMERQ-NRFANRHFSA-N 480.661 2.370 30 10 JEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccccc1N1CCOCC1 1286493778 GNTGHBRCJNOLMS-UHFFFAOYSA-N 468.627 2.354 30 10 JEEE C=C(C)COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1286603301 RDLPGZQCSULPLD-UHFFFAOYSA-N 466.502 2.033 30 10 JEEE C=CCC(C)(C)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1286668216 POHPBWJHTGBUNW-SFHVURJKSA-N 482.585 2.102 30 10 JEEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1286674971 KOOXMGXDZZIYJD-SFHVURJKSA-N 468.606 2.400 30 10 JEEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN([C@@H](C)c2nc(CC)no2)CC1 1286825569 SSBJFWRELNFPDO-KRWDZBQOSA-N 474.635 2.262 30 10 JEEE CCCOc1ccc(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCO[C@@H](C#N)C2)cn1 1294952498 HHQTVRQCPHJOSK-IBGZPJMESA-N 482.566 2.309 30 10 JEEE CO[C@H](Cc1ccccc1)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1299587899 DYEDNINAPMJXNK-JOCHJYFZSA-N 488.596 2.267 30 10 JEEE C#CCN(c1nnc(C2CCCC2)n1CCCOC[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1300495074 CKGYQVDRPWFDAN-UXHICEINSA-N 450.605 2.148 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN1C1CCCCC1 1300578334 LEZXIZHODICXSH-UNMCSNQZSA-N 457.644 2.440 30 10 JEEE C#CCN(CC#CC)c1nnc(COCC)n1C[C@@H]1C[C@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1300595568 MZUAYOLVKQERSI-SLFFLAALSA-N 457.575 2.302 30 10 JEEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1301482451 WHZFSICNBOBLSU-RTBURBONSA-N 451.531 2.392 30 10 JEEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCO[C@@H]2C(C)C)CC1=O 1301886826 CCNRYUHNLQNCBU-RBBKRZOGSA-N 452.559 2.173 30 10 JEEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CCNC(=O)OC(C)(C)C 1303770992 HIOMABPALQRQQW-OAHLLOKOSA-N 462.576 2.211 30 10 JEEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCCCS2)C1 1303939358 DLPZCCUSQBPGSC-ABSDTBQOSA-N 468.649 2.027 30 10 JEEE CC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(C(N)=O)CCCC2)CCN1CCOC 1306408308 AGGRAXKDHJRYNT-NRFANRHFSA-N 465.602 2.409 30 10 JEEE CN(c1nnc(-c2ccc(C#N)cc2)n1CCOc1ncccc1F)C1CCN(S(C)(=O)=O)CC1 1314683272 IFUGPACLBPWACL-UHFFFAOYSA-N 499.572 2.290 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCCN(C)S(=O)(=O)CC 1358870941 XGIXXMOJZSASPK-SFHVURJKSA-N 460.604 2.277 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1CC[C@H](N1CCOCC1)C(F)(F)F 1358897050 SAFSQISMWGVJPV-AEFFLSMTSA-N 453.513 2.251 30 10 JEEE C#CCCCn1c(-c2ccc3ccccc3n2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1358924569 AZMWYKGLRHVGRC-UHFFFAOYSA-N 459.554 2.080 30 10 JEEE C#CCN(c1nnc([C@@H](C)CC)n1CCNC(=O)c1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1358957661 YAWSJZNCBRDIMW-ICSRJNTNSA-N 457.600 2.157 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2Cl)n1CCOCCCO)[C@H]1CCS(=O)(=O)C1 1358958514 PZZOSFUHTUWJHP-INIZCTEOSA-N 487.409 2.278 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@H]1CCN(CC(F)(F)F)C1)[C@H]1CCS(=O)(=O)C1 1358962784 WZCGUNBVZLHYDM-BZSNNMDCSA-N 489.564 2.031 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1sccc1Br)[C@@H]1CCS(=O)(=O)C1 1358963646 LQRXGJSYORWUDI-UONOGXRCSA-N 485.429 2.281 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CCc1nccnc1C)[C@H]1CCS(=O)(=O)C1 1358967833 UCYCOTYSAISNTN-FQEVSTJZSA-N 480.594 2.133 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(CS(C)(=O)=O)CC1 1358977810 WZIKPHZMWSSIJJ-IBGZPJMESA-N 489.642 2.290 30 10 JEEE C#CCN(CC)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CC1(O)CCS(=O)(=O)CC1 1359005153 XKHPOLZSSMQKFZ-UHFFFAOYSA-N 476.599 2.140 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCC(=O)NC(C)(C)C)CC1 1359030868 JCHUZWAYPXEIDV-UHFFFAOYSA-N 462.396 2.096 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(OC)cc3)n2Cc2ccc(OC)nc2)CC1 1359047591 MPJBTVVVXIGBHW-UHFFFAOYSA-N 490.564 2.283 30 10 JEEE C#CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1359050056 DZOBGFKXSWAZAU-LJQANCHMSA-N 498.472 2.428 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1359304980 PQQYGKOYIOSIBZ-HXUWFJFHSA-N 468.602 2.469 30 10 JEEE COCCN(Cc1ccco1)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCS(=O)(=O)C1 1504878248 FYCFQPSKVYYXCT-GOSISDBHSA-N 455.540 2.497 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCN(C2CC2)C1 1507522883 YNNMWSOODBTOES-QZTJIDSGSA-N 456.616 2.138 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccc(C)n3)n2Cc2ccc(C(N)=O)nc2)c1 1507549851 QVSBVYKOPPYTHN-UHFFFAOYSA-N 480.532 2.247 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1c(F)cccc1SC)[C@@H]1CCS(=O)(=O)C1 1507634466 YTROSCJEOHUALW-HZPDHXFCSA-N 464.588 2.318 30 10 JEEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1Cc1oc(CC)nc1C)[C@@H]1CCS(=O)(=O)C1 1507639440 KHJALHPWPQXSOI-GOSISDBHSA-N 499.593 2.400 30 10 JEEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccnc(OCC(F)(F)F)c1 1507642678 YPCZQYBURIATLS-NRFANRHFSA-N 463.460 2.387 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCN(C)C(=O)OC(C)(C)C 1507644784 OFOHVPINRYOKDP-UHFFFAOYSA-N 475.557 2.251 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccnc(OCc2ccccc2)c1 1507652809 JGNLEXFUTXEYMD-JOCHJYFZSA-N 475.574 2.275 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCOC(C)C)CC1 1507734768 XKZUDFOJRFVVEV-UHFFFAOYSA-N 455.559 2.353 30 10 JEEE C#CCSCCn1c(-c2ccccc2F)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1507748002 LKRXDIXGPQSETP-QFIPXVFZSA-N 456.547 2.265 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 1507750897 HGCHHCZNXGHKCD-RTBURBONSA-N 462.645 2.201 30 10 JEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CC[C@@H](N(C)Cc2ccccc2)C1 1507752788 FUYBRTPQBZTCJT-OAQYLSRUSA-N 452.628 2.478 30 10 JEEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)OCC(C)C)CC1 1507760308 WYZYDTPYNCUEJQ-OALUTQOASA-N 465.620 2.283 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)NCC)CC1 1508109546 SXOPFMFHJWPGQR-UNMCSNQZSA-N 484.601 2.467 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C)N2CCC[C@H](C)C2)C1 1508121788 AEGKKHWVDNJRGT-VNTMZGSJSA-N 451.637 2.082 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1508125524 PIIAHZATYDXJCH-SJORKVTESA-N 481.569 2.352 30 10 JEEE COc1ccc(Br)cc1Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](C#N)C1 1518075347 BEITYZVIUOMHDF-MRXNPFEDSA-N 458.320 2.227 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1CC(C)(C)SC)[C@H]1CCS(=O)(=O)C1 1539212648 WVRJVCZRCVTFDF-INIZCTEOSA-N 462.597 2.442 30 10 JEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1C[C@H]1CCC=CO1)[C@@H]1CCS(=O)(=O)C1 1539224461 HIYXDFXKOZESFK-IFMALSPDSA-N 470.595 2.391 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1CC[C@](C)(O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1539230687 KASHTUDSDDCXSM-MZKRTTBSSA-N 458.584 2.054 30 10 JEEE C#CCSCCn1c(COc2ccccc2F)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1539526458 KFLYVPGYPCQXMU-UHFFFAOYSA-N 486.617 2.107 30 10 JEEE C=C(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1539684883 LAIGYMZBMZVXIA-SFHVURJKSA-N 470.549 2.404 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](CCc2ccccc2)C1 1539706793 TVRDRHZOQWQSFY-RTWAWAEBSA-N 475.615 2.025 30 10 JEEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cc(C)ccc1F 1539751975 YFNTURNKOYGCSC-FQEVSTJZSA-N 481.594 2.288 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1cccc(Cl)c1 1540201225 QTDUGYBZBYKMKX-IIBYNOLFSA-N 469.007 2.380 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCc1ccc2c[nH]nc2c1 1541934934 HLLYUXTZEIIRTB-BTYIYWSLSA-N 456.576 2.137 30 10 JEEE Cc1cccc(-c2nnc(N3CCN(c4ccc(C#N)cn4)CC3)n2CCC(=O)NC(C)C)n1 1542628387 GQKRJVPRYVFGAC-UHFFFAOYSA-N 459.558 2.157 30 10 JEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(CNC(=O)c2cnn(C)c2)CC1 1544721049 HXJYRMBCBGTQIJ-QGZVFWFLSA-N 453.971 2.424 30 10 JEEE COc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H]2CCCN2CCCO)cc1OC 1554849528 ATFVGQGSBBHCGP-JPYJTQIMSA-N 458.538 2.251 30 10 JEEE C#CC1(O)CCN(C(=O)[C@H](Cc2cccc(Br)c2)[C@@H]2CCS(=O)(=O)C2)CC1 1585305080 KJZBUJLAVRHHKX-SJLPKXTDSA-N 454.386 2.029 30 10 JEEE C[C@](NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)(C(N)=O)c1cccc(C(F)(F)F)c1 1587063736 DKVIHDKLNULMIR-LJQANCHMSA-N 453.442 2.009 30 10 JEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(O)(c2c(F)cccc2F)CC1 1587707299 ZGKMTLZLMKHWIN-MRXNPFEDSA-N 481.569 2.458 30 10 JEEE C#CCCCn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1587808472 SEZZSENKSWGVJC-GOSISDBHSA-N 461.588 2.312 30 10 JEEE C#CCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1587813515 OXNVRYKGTRLWQJ-QHCPKHFHSA-N 464.614 2.214 30 10 JEEE C#CCN(c1nnc(CSc2ccc(C)cc2)n1CCCNC(C)=O)[C@@H]1CCS(=O)(=O)C1 1588073831 FLVHPHCEYNDSRM-LJQANCHMSA-N 475.640 2.032 30 10 JEEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1588673013 KLZMVBMKBWMUBL-IBGZPJMESA-N 474.606 2.134 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCN2CCC[C@@H](C)C2)CC1 1588762524 IXRLHVWGXNBUFI-HXUWFJFHSA-N 452.603 2.449 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(C)cc2OCC)CC1 1588961832 NMKCVZKOBCMSJY-UHFFFAOYSA-N 478.597 2.122 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(c2ccnn2C)CC1 1588974792 BMDWYVLYEWALDS-UHFFFAOYSA-N 450.572 2.409 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(Cl)c(OC)c1 1589216819 YCANNRMBDDJPDD-SIKLNZKXSA-N 494.017 2.313 30 10 JEEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1595334839 HQOXWZWTDPIVQF-UHFFFAOYSA-N 487.630 2.108 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1 1595555862 JROHLYSVAAFEOE-UHFFFAOYSA-N 469.590 2.450 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccc3cccnc23)C1 1595674179 NNOGPZQGFPUXFS-LPHOPBHVSA-N 456.572 2.266 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCCN(c2ccccc2C#N)CC1 1595784466 GMGOSCZRSAKVCK-UHFFFAOYSA-N 479.610 2.473 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1595797803 IOANIBLHHBUAPE-UHFFFAOYSA-N 475.575 2.166 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H]2CN(CC(=O)N3CCN([C@H](C#N)c4ccc(F)cc4)CC3)[C@@H]2C1 1654805869 GIUYIBQVLLQRHX-CEMLEFRQSA-N 471.577 2.476 30 10 JEEE COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)c1OC 1669479197 DOPLHKFCJIBBFR-AWEZNQCLSA-N 451.888 2.244 30 10 JEEE C#CCN1CCC[C@@H](NC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)C1 1687593388 OYBWLXWVNVTUEN-OAHLLOKOSA-N 459.399 2.107 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2C[C@H](C)CN2CCOCC2)c1 1689872236 SCIZUCMOQFBIMQ-IFMALSPDSA-N 480.613 2.197 30 10 JEEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCCCN1CCOCC1 1689961160 NKFKXEDOBKXXSR-UHFFFAOYSA-N 463.586 2.247 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)Oc1cccc(OC)c1 1690047372 PMQIMILVGATSBZ-MOPGFXCFSA-N 456.568 2.119 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1CCCN(C(C)=O)C1 1690098059 UCUIRFSPJMSEBO-LJQANCHMSA-N 455.559 2.307 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCC2CCC(OC)CC2)CC1 1690135159 PPHWSKNQBJNJBM-UHFFFAOYSA-N 470.618 2.075 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2Cc2ccc(C[S@@](C)=O)cc2)CC1 1690142043 GREKATHZYNSSJZ-UUWRZZSWSA-N 476.606 2.233 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C(C)(F)F)cc2)CC1 1690143965 HUHZSTPIFGPLOS-LJQANCHMSA-N 470.524 2.355 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2C[C@]2(N(C)C)CCSC2)CC1 1690148315 CFYQPJAYOGGCID-RUZDIDTESA-N 484.645 2.411 30 10 JEEE C#CCSCCn1c(Cc2ccccc2F)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1690176804 APPVRQVOMAMOSF-LJQANCHMSA-N 477.631 2.379 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCC(=O)NC(C)(C)C 1690196203 BEQDTTHODUGGLF-XMMPIXPASA-N 486.642 2.492 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(NC(=O)CCC)CC1 1690236617 PBUASAGDGRKILP-RXVVDRJESA-N 458.607 2.380 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC([C@H]2CCOC2)CC1 1690236820 RNNCXFDEAPQKRH-RNQOJCNYSA-N 467.636 2.122 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CO)(Cc2ccccc2)CC1 1690288218 NBCSOPIADGTTRJ-NRFANRHFSA-N 489.642 2.009 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cc(F)cc(OC)c2)CC1 1690411425 LZXLUXPNNDEUIS-HXUWFJFHSA-N 479.578 2.209 30 10 JEEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1690627619 NKVOSXYODCLDQB-UHFFFAOYSA-N 482.976 2.481 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@@H]1c1nncn1C 1690675799 FREJQYKXVFUAHU-GOSISDBHSA-N 450.547 2.246 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H]2CCS(=O)(=O)C2)C1 1690684181 AGRGUZLHRPUSKG-IEBWSBKVSA-N 494.017 2.078 30 10 JEEE CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCCC(C)(C)C2)CC1 1695929877 BAIXRTSGZGMCJO-UHFFFAOYSA-N 478.645 2.197 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1Cc1c(CC)nn(C)c1OC)[C@H]1CCS(=O)(=O)C1 1705564022 JLRCALOYQHBGMU-SFHVURJKSA-N 482.610 2.233 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1Cc1ccc(CS(C)(=O)=O)cc1 1705586308 DMWOVPUVLVPIEV-UHFFFAOYSA-N 453.593 2.300 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CC[C@@H]2CCO[C@H](C)C2)CC1 1705650280 OBSZRVZQODUGNC-WOJBJXKFSA-N 450.587 2.435 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@H]2CSCCS2)CC1 1705650545 ULHUGIZYEBRMAW-IBGZPJMESA-N 456.641 2.078 30 10 JEEE C#CCSCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@H](C(=O)OC)C1 1705656350 ZMBCGGUQBNTLSM-HNNXBMFYSA-N 460.556 2.337 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H]1c1ccc(OC)cc1 1705928580 RPQZXBBXWCFYPK-HXUWFJFHSA-N 473.599 2.465 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1[C@H]1C[C@H](c2ccccc2C)C1 1722296980 WVVYACKJEFHFQG-VNYTWHDVSA-N 457.600 2.496 30 10 JEEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN([C@H](C)c2nc(C(C)C)no2)CC1 1722321449 FUAIANMTIBGPQJ-GOSISDBHSA-N 454.579 2.317 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1CCOc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1722360271 FTGXCEDXPWKUGH-SFHVURJKSA-N 455.515 2.185 30 10 JEEE C#CCN(c1nnc(-c2nnc(O)c3ccccc23)n1CCCOCC(C)C)[C@@H]1CCS(=O)(=O)C1 1722366682 JAMFRPWEYXPOES-GOSISDBHSA-N 498.609 2.283 30 10 JEEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCc1ccc2c(c1)OCCO2 1722372742 AKZFNBLERDDJKB-RUZDIDTESA-N 450.539 2.405 30 10 JEEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cccnc1N1CCOCC1 1722391498 OHJOFLMJEBIJMV-SANMLTNESA-N 478.597 2.062 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(-n2ccnc2)c(F)c1 1722419026 LLZQQOXUPXCYTP-UHFFFAOYSA-N 474.500 2.385 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCC2(COC)CCCC2)CC1 1722441731 TUWKTQFRXZTXLE-UHFFFAOYSA-N 493.612 2.488 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CCc2ccn(C)n2)CC1 1722443118 NUDVWPOBJYCUBN-UHFFFAOYSA-N 491.596 2.294 30 10 JEEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2cccc(F)c2[C@@H]1C 1722537853 RWWAZYRDFAAXOD-PXNSSMCTSA-N 493.605 2.467 30 10 JEEE CC(=O)N1CCCN(c2nnc(CCCc3ccccc3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1722775053 XALHSBOVEWVYSN-OCOZRVBESA-N 491.596 2.038 30 10 JEEE CCN(CCn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)N1CCOCC1)C(=O)OC(C)(C)C 1728504182 HCRGVPBRUINHIG-UHFFFAOYSA-N 497.600 2.369 30 10 JEEE C#CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1740569522 FODYUSMMGCJSOQ-UHFFFAOYSA-N 461.574 2.419 30 10 JEEE C#CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1740570151 BHLBKBPGSUPEFO-GOSISDBHSA-N 482.610 2.492 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1CCC(=O)NCCC)[C@@H]1CCS(=O)(=O)C1 1740619915 MVNHWLNBSTZTIK-QGZVFWFLSA-N 494.017 2.150 30 10 JEEE C#CCN(c1nnc(CC)n1Cc1ccccc1-n1nc(C)cc1C)[C@H]1CCS(=O)(=O)C1 1740626064 RRTHBUOLZUHSTG-FQEVSTJZSA-N 452.584 2.318 30 10 JEEE C#CCN1CCN(c2nnc(-c3sc4ccccc4c3Cl)n2CCNS(C)(=O)=O)CC1 1740692842 PRNUTJRZROJMEM-UHFFFAOYSA-N 479.031 2.118 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2cc(COC(C)(C)C)on2)CC1 1740705659 KUQXHXOUNJPOJH-LJQANCHMSA-N 484.601 2.489 30 10 JEEE C=C(Cl)Cn1c(COc2ccccc2CC)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1740815016 KYTBYCWBVLGFKU-UHFFFAOYSA-N 472.977 2.099 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N1CCOCC1 1740923566 PEXYFDYFZTYNRN-MSOLQXFVSA-N 465.645 2.155 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCOC2(CCOCC2)C1)C(C)C 1740927644 WDCZJLGYZARFHK-LEWJYISDSA-N 472.634 2.314 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1740961825 JXIAHZBTHIQZPQ-IBGZPJMESA-N 452.538 2.360 30 10 JEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N(C)CC(=O)Nc1cccc(Cl)c1 1740963612 QPMHXUMIPCFMRE-UHFFFAOYSA-N 470.965 2.170 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC2(S(C)(=O)=O)CCC2)C1 1740971955 ASGKATYRAFAJCN-AVRDEDQJSA-N 468.620 2.067 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1740973283 URRCIOLWGBMZBE-YOSAUDMPSA-N 490.626 2.366 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(CCc3ccccc3)n2CCN2CCN(C(C)=O)CC2)C1 1740983123 BNUQAEJEVUZMCB-QHCPKHFHSA-N 452.603 2.009 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H]1CCCO[C@H]1C(C)C)[C@H]1CCS(=O)(=O)C1 1748819328 NCQKMLWCDUJXPS-FUDKSRODSA-N 471.627 2.342 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1[C@H]1C[C@H](c2cccc(F)c2)C1 1748891655 CMZODAJERRDVKM-BVSLBCMMSA-N 485.585 2.332 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnn(C)c2)n1C[C@H]1CCCS(=O)(=O)C1 1748944117 LTSBTISUQRPZGT-GOSISDBHSA-N 456.547 2.282 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2cccc(C(=O)N(C)C)c2)CC1 1749009946 MZVZKHGVMGIHJR-QFIPXVFZSA-N 478.597 2.236 30 10 JEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(S(=O)(=O)c2ccccc2)CC1 1749033595 JNSLGSXPHOBRTL-LJQANCHMSA-N 473.624 2.038 30 10 JEEE C=C(Br)Cn1c(-c2noc3c2COCC3)nnc1N1C[C@H](C)O[C@@H](COC)C1 1749097979 LTOWXSBVOLFPJT-QWHCGFSZSA-N 454.325 2.155 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)COC)CC1 1749135264 DCGKAJHJDCCRAJ-YKSBVNFPSA-N 480.569 2.005 30 10 JEEE C=CCN(C)c1nnc(COc2cc(C)ccc2C)n1CCS(=O)(=O)N1CCSCC1 1749499833 OZZIWUGVXBMACJ-UHFFFAOYSA-N 465.645 2.475 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC(F)(F)CO1 1749537504 ISVOKPBYFFCZGB-RBUKOAKNSA-N 497.568 2.228 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(CC)s2)C1 1749713793 YQHKBKAIPAGUAT-VQIMIIECSA-N 481.644 2.065 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC(C)(C)c1cccs1)[C@@H]1CCS(=O)(=O)C1 1760179282 PDJVDNZRNSJFLJ-MRXNPFEDSA-N 463.629 2.082 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCCOC[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 1760185126 QDTNJMRTBYWJTL-VXKWHMMOSA-N 483.594 2.029 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)s3)n2CC2([S@@](C)=O)CC2)CC1 1760255444 IVEJDWYYFVUDBP-HHHXNRCGSA-N 468.446 2.435 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccncc1Cl 1760337305 PKSKPZTZGSJCOI-QGZVFWFLSA-N 454.984 2.110 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(S(C)(=O)=O)CC1 1760518668 YRHQEFIVELTZHC-UHFFFAOYSA-N 455.943 2.053 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCc2ccc(Cl)nc2C1 1760548842 QYXXNJWALTZQBA-UHFFFAOYSA-N 487.973 2.137 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCC(C(=O)N2CCCC2)CC1 1760550701 GNZNYCUWNWUIGR-UHFFFAOYSA-N 487.626 2.393 30 10 JEEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC([C@H]2CC2(F)F)CC1 1760566672 ZTQUPBIBMDWQCP-IAGOWNOFSA-N 491.630 2.402 30 10 JEEE CCC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(C(N)=O)nc2)CCO1 1763979156 GEHRVWWIJDGART-HXUWFJFHSA-N 461.526 2.276 30 10 JEEE CS(=O)(=O)C1(Cn2c(-c3ccc(Br)s3)nnc2N2CCO[C@H](C#N)C2)CC1 1771341648 DCOHOFMSLGHLDB-LLVKDONJSA-N 472.390 2.075 30 10 JEEE CS(=O)(=O)NCCCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccccc1C#N 1860903151 YMABJDZBVYLAMB-NRFANRHFSA-N 467.551 2.035 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@H]2c2ccc(O)c([N+](=O)[O-])c2)cc1C 1862406844 ZDEDHCQCKPGAHR-FQEVSTJZSA-N 469.450 2.332 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H](C)O)[C@@H]2c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1F 1862647836 MCUSHCISFPUGOY-PRWKNARSSA-N 488.424 2.473 30 10 JEEE O=C(C1=C(O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 1862754133 DSMGRNHEJZJHOK-FQEVSTJZSA-N 482.449 2.414 30 10 JEEE C=CCN(CC=C)C(=O)[C@H](CCSC)NC(=O)c1ccc2c(c1)C(=O)N(CCCN(C)C)C2=O 1868610525 FDZCAAVTYLXVSH-NRFANRHFSA-N 486.638 2.286 30 10 JEEE C=CCn1cc(OCc2cc([N+](=O)[O-])cc3c2OCOC3)c(=O)cc1CSc1nnnn1C 1870311367 SPVPKTGZPFKFHI-UHFFFAOYSA-N 472.483 2.204 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCCCN2C(=O)c3ccccc3C2=O)cn1C[C@H](C)O 1870375994 UYCFUYZARPZEEZ-IBGZPJMESA-N 465.550 2.468 30 10 JEEE C=CCn1c(C(=O)NC[C@@H](c2ccc(O)cc2)N(C)C)cc2c(N3CCC(C(N)=O)CC3)ncnc21 1873595749 PPVHGOQYGPVAPZ-QFIPXVFZSA-N 491.596 2.057 30 10 JEEE COc1cc(/C=N/n2c(Cc3ccccc3[N+](=O)[O-])nnc2SCCO)cc(OC)c1O 1874298237 QAUSGLDTKPBTBX-CIAFOILYSA-N 459.484 2.467 30 10 JEEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)C[C@@H]3COc4ccccc4O3)CC2)CC1 1889484768 OCICSEPBUXAKHK-HSZRJFAPSA-N 455.599 2.254 30 10 JEEE COc1cc(Br)c(C(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)cc1OC 1889535608 GWEDDTFTKKRTNC-UHFFFAOYSA-N 494.430 2.338 30 10 JEEE N#C[C@@H]1CN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)CCN1Cc1ccccc1 1914916598 AXMNIQZDKAZQSV-OAQYLSRUSA-N 480.590 2.493 30 10 JEEE CC1(C)OB(c2cnc(NS(=O)(=O)c3ccc(I)cc3)nc2)OC1(C)C 2158589897 INCPIXYPDAETAN-UHFFFAOYSA-N 487.128 2.181 30 10 JEEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)O)sc2Br)[C@@H](C#N)C1 2162597439 CZJNKTHKELIAFG-VIFPVBQESA-N 480.362 2.342 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)NCCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2180987991 WCJLBWINUQXYRH-OALUTQOASA-N 460.380 2.015 30 10 JEEE CO[C@H]1[C@H](COc2ncccc2B2OC(C)(C)C(C)(C)O2)N(C(=O)OC(C)(C)C)C[C@H]1OC 2241093369 QONUWFYTMKWHMU-KSZLIROESA-N 464.368 2.409 30 10 JEEE CC1(C)OB(c2csnc2C(=O)N[C@@H]2CCOC[C@@H]2NC(=O)OCc2ccccc2)OC1(C)C 2255540852 STYDMVIIQFZPDL-MSOLQXFVSA-N 487.387 2.256 30 10 JEEE CC1(NC(=O)OC(C)(C)C)CN(S(=O)(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2255754316 XUVMQUCELRNRBV-UHFFFAOYSA-N 452.382 2.274 30 10 JEEE C=C(CS(=O)(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1OC)B1OC(C)(C)C(C)(C)O1 2255795923 ZJSZDIQIEANLGX-HZPDHXFCSA-N 460.402 2.118 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2255949838 BOTARFKMASVTSY-MRXNPFEDSA-N 452.382 2.274 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@]1(C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2256629470 VHEFUEFHGBBWRZ-ODXCJYRJSA-N 453.370 2.311 30 10 JEEE COC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2267172281 ADYYUFACQGZAJU-CQSZACIVSA-N 467.397 2.150 30 10 JEEE Cc1nc(S(=O)(=O)N[C@@H]2CC[C@@H]2OCc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)n1C 2267467705 PYQSCZRNRLGLAI-MSOLQXFVSA-N 461.393 2.054 30 10 JEEE CC(C)(C)OC(=O)N1CCN(CC(=O)NCc2cc(B3OC(C)(C)C(C)(C)O3)cs2)CC1 2268634525 IRIHFCRPJVMBNT-UHFFFAOYSA-N 465.425 2.216 30 10 JEEE COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)O 2268654621 BXTCFFDWSHGTTD-GUYCJALGSA-N 450.341 2.207 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)Nc2ccc(Cl)c(B3OC(C)(C)C(C)(C)O3)n2)C1 2268786771 RRFNPMCTWICWAE-OAQYLSRUSA-N 467.759 2.345 30 10 JEEE COc1ccc(C(=O)NCCOCCNC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2281824546 LRLGBASBALWMJW-UHFFFAOYSA-N 464.368 2.266 30 10 JEEE Cn1ncc(C(=O)N2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)c1B1OC(C)(C)C(C)(C)O1 2281824917 XTDFNNQWSOFRLH-HZPDHXFCSA-N 460.384 2.048 30 10 JEEE Cc1ccnc(C(=O)NCc2c[nH][nH]c2=NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2282016537 ZAYMAUQSFWBJKO-UHFFFAOYSA-N 457.340 2.111 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N=[S@@](C)(=O)CCCCNC(=O)OC(C)(C)C)n1 2282039659 YMKKQUKIUXYAGO-XIFFEERXSA-N 484.428 2.262 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)n1 2282045328 VOSLCMBOXBHADE-INIZCTEOSA-N 461.368 2.055 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H](C)CC1CN(C(=O)OC(C)(C)C)C1 2282056411 RQMAVJHFSSAKGU-CQSZACIVSA-N 462.400 2.403 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)C[C@]12CCOC2 2282061376 KGLIIJGIKBGPCH-PEBXRYMYSA-N 479.408 2.341 30 10 JEEE CC(C)(C)OC(=O)NC[C@]1(F)C[C@@H](CNC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2282180586 VJLPUKZGTYPICL-XLOAEROZSA-N 464.347 2.149 30 10 JEEE CN1CCN(C(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)[C@@H](CNC(=O)OC(C)(C)C)C1 2282186813 ZSHJIGXCEVOATD-IBGZPJMESA-N 459.396 2.267 30 10 JEEE Cc1nc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2CO)c(B2OC(C)(C)C(C)(C)O2)s1 2282511801 DMOLODIYTMYRII-GJZGRUSLSA-N 481.424 2.098 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](OC)C1 2282667252 PMVBLEIINWUJOZ-SJLPKXTDSA-N 463.384 2.171 30 10 JEEE C[C@@H]1C[C@@H](NC(=O)C(F)(F)F)CN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2282842705 BPUYNBTYMBEQIM-TZMCWYRMSA-N 496.382 2.266 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2COC[C@@]2(C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)C1 2283915427 DMKDIYAVMSGREN-WNSKOXEYSA-N 459.352 2.203 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)CC[C@@H]1C(=O)NCc1ccccc1B1OC(C)(C)C(C)(C)O1 2284058590 OABCFIGIEBVNRH-IEBWSBKVSA-N 460.380 2.362 30 10 JEEE CC(C)(C)OC(=O)N1CCOCC[C@@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2285272481 WNACYMVQDPKYHG-MRXNPFEDSA-N 465.331 2.484 30 10 JEEE COc1ccc(C=Nn2c(CNC(C)=O)nnc2SCC(=O)NC2CCCCC2)cc1OC 2330769947 GLYGBJHQCGJLDF-UHFFFAOYSA-N 474.587 2.355 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]1NC(=O)c1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1O 2339416147 SFQBTJKMROAUGO-LRDDRELGSA-N 450.316 2.474 30 10 JEEE COCC1(NC(=O)OC(C)(C)C)CC(C(=O)O)(N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C1 2347122069 FMPWXFJVVZOLRL-HLJPNSHOSA-N 458.559 2.223 30 10 JEEE COc1nc(N2CCO[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)ccc1B1OC(C)(C)C(C)(C)O1 2365343957 HRHRSPCIMHRISZ-IRXDYDNUSA-N 461.368 2.214 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@H]2C[C@H](NC(=O)c3occc3B3OC(C)(C)C(C)(C)O3)C[C@H]21 2369088381 JEHOPGKSBUJMNV-DJIMGWMZSA-N 462.352 2.476 30 10 JEEE Nn1c(N/N=C/c2ccc(O)cc2O)nnc1SCC(=O)Nc1nc2ccccc2s1 20292368 BNPKPAAAWWXQJC-DNTJNYDQSA-N 456.513 2.190 30 10 JEEE COc1ccc(/C=N/Nc2nnc(SCC(=O)N[C@@H](C)c3ccccc3)n2N)cc1OC 20292835 UWKGTTLAJUPNIQ-XMTZNVEYSA-N 455.544 2.425 30 10 JEEE COc1ccccc1/C=N/Nc1nc(SCCC(=O)Nc2ccc(S(N)(=O)=O)cc2)n[nH]1 20834699 SLHJITVUERDWBN-CIAFOILYSA-N 475.556 2.028 30 10 JEEE C=CCn1c(=O)c2sc(N3CCCCC3)nc2n(CC(=O)NCc2ccc(C)cc2)c1=O 21655693 XLXGWZLXPVXILL-UHFFFAOYSA-N 453.568 2.421 30 10 JEEE COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccnc2)cc1Cl 102483355 XRQKHIIAPBMXKO-LCPUNJGISA-N 457.914 2.498 30 10 JEEE NS(=O)(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2cccnc2)cc1 170356418 IEXOUGDEGJMTOO-OAQYLSRUSA-N 493.497 2.283 30 10 JEEE C#CCN(C(=O)c1ccc2c(=O)n(CCc3ccccc3)c(S)nc2c1)[C@H]1CCS(=O)(=O)C1 729332504 PAKMUTADZSILAG-IBGZPJMESA-N 481.599 2.190 30 10 JEEE CC(C)CC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CC(C)(C)CN(C)C 729672430 OAMSTPYIQFCKHO-UHFFFAOYSA-N 465.623 2.264 30 10 JEEE CCCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1[C@H](C)c1cccs1 729672475 PXFRIRSQMLIXKF-OAHLLOKOSA-N 463.588 2.258 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CC1(C)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1286380335 BSKKEACURNEOAG-LJQANCHMSA-N 458.584 2.397 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1cccc(C(C)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 1286390155 XXMPVJPOPGLJAQ-LJQANCHMSA-N 474.537 2.465 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CCc1ccc(OC)cc1OC)[C@H]1CCS(=O)(=O)C1 1286390810 FJMKEUZVVLABNJ-NRFANRHFSA-N 495.605 2.151 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CC[C@@H]1CCO[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1286394884 XQKPXLUXEGVHTH-NRSPTQNISA-N 457.600 2.096 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1286424954 ROVKTZNKRYDZSH-SFTDATJTSA-N 487.612 2.272 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@@]2(OC)CCOC2)CC1 1286475225 ZTMAVESMTLUGNW-NRFANRHFSA-N 478.366 2.407 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCn1cc(CO)nn1 1286529925 DEJZGVUCMZZZIA-NXMSCROESA-N 484.605 2.215 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1C(F)(F)C12CCC2 1286758420 NAOZLOQNFICHDP-HOTGVXAUSA-N 457.547 2.225 30 10 JEEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1286776268 NTNWZQBIEGGKPJ-LSDHHAIUSA-N 488.511 2.277 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCSC2(CCOCC2)C1 1286782831 AOFXULRDSKDPFV-UHFFFAOYSA-N 473.599 2.367 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(C)C)C(=O)C1 1286795729 LRQFYOFRPUIRRI-LJQANCHMSA-N 452.559 2.147 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@H]2CCCS(=O)(=O)C2)C1 1286807021 IPCFXJPGYOCBML-AZUAARDMSA-N 460.600 2.484 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](Cc2ccccc2)OC)C1 1286809425 IZARTHZNTMTIBO-NJDAHSKKSA-N 460.600 2.219 30 10 JEEE C=CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(OCC(N)=O)CC1 1286825455 LBVRWESXSWBJER-UHFFFAOYSA-N 469.409 2.426 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](c2cccc(F)c2)C1 1300412101 XZTKEQNLTREOBZ-UYAOXDASSA-N 461.563 2.157 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CCN1CCOCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1300489147 JKTQUROPSZUHFU-HXUWFJFHSA-N 492.045 2.336 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCCn1nc(C)cc1C)[C@H]1CCS(=O)(=O)C1 1300489412 NOMJGEROUOTZKC-IBGZPJMESA-N 456.572 2.377 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1Cc1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1300498450 KJRLLNWAOILZBO-FQEVSTJZSA-N 453.568 2.457 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1ccc(C)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1300498633 MFJLGPYRTCGQES-NRFANRHFSA-N 465.579 2.256 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@](C)(O)c1cccs1 1300528575 ZWRWIAMNJOQYQB-DEOSSOPVSA-N 458.547 2.234 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(N2CCOCC2)CCSC1 1300572240 SDXMLRPVEYEHOM-VWLOTQADSA-N 460.607 2.488 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C 1300578804 PKQPRHKAMDKIDY-XUVXKRRUSA-N 489.642 2.289 30 10 JEEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1(N(C)C)CCOCC1 1300602416 DNVXGKFKDXSBFG-UHFFFAOYSA-N 473.647 2.117 30 10 JEEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(S(C)(=O)=O)CCCC1 1300631190 NCDHKSSHBRHERG-GOSISDBHSA-N 495.646 2.403 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCCO3)n2Cc2cnn(C)c2C)n1 1300680950 HEBFAGPFMUGXRQ-OAQYLSRUSA-N 452.563 2.093 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@](C)(O)C2CC2)CC1 1300716712 PKAZMPRPGASWTJ-VWLOTQADSA-N 467.570 2.089 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1CC(=O)N(CCOC)C1 1300778888 IOVLPQDILRMCDC-UQBPGWFLSA-N 499.015 2.349 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCC(N2CCNC2=O)CC1 1300874693 NJSXIGUQSTYRFT-PXNSSMCTSA-N 473.622 2.172 30 10 JEEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(Cc2cc(C)on2)CC1 1300972793 PZCVJECHNGCNPA-UHFFFAOYSA-N 466.546 2.137 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 1300990596 LOHAWWVXMZEEFL-GOSISDBHSA-N 493.655 2.105 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCCS(=O)(=O)C1 1301334329 ICOGRUNDFIUFBE-IBGZPJMESA-N 475.615 2.442 30 10 JEEE COCC[C@](C)(O)Cn1c(CCc2ccccc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1301458187 CTFVPLKQCSGFCW-SANMLTNESA-N 475.597 2.444 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1301480733 DOLOWQUFAOFLKD-FXAWDEMLSA-N 485.976 2.476 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1301482446 WHZFSICNBOBLSU-OALUTQOASA-N 451.531 2.392 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1301515371 UAWBHMNLDFBJNO-KRWDZBQOSA-N 458.538 2.039 30 10 JEEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@H](C)[C@H](OC)C2)cc1 1301518449 JGMAALSXRRDPEW-ABSDTBQOSA-N 463.604 2.363 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCN(c2ccc(F)cn2)CC1 1301586920 PPWFPWPBCRDSCE-UHFFFAOYSA-N 491.618 2.095 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ncccc1N(C)C 1301956091 DRKHYCODZAUMTD-INIZCTEOSA-N 453.572 2.454 30 10 JEEE N#Cc1ccc(OCc2nnc(N3CCC4(CCOCC4)C3)n2CC(=O)NCC(F)(F)F)cc1 1302993567 DVKVLIARKSPKQG-UHFFFAOYSA-N 478.475 2.414 30 10 JEEE CN(CCCO)C1CCN(CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)CC1 1307468855 DIIODXILIGQOQQ-HXUWFJFHSA-N 457.619 2.135 30 10 JEEE CSC[C@H]1CCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCS(=O)(=O)C1 1316440738 CFHKFDRHRJYZEV-ZWKOTPCHSA-N 461.613 2.495 30 10 JEEE C#CCCCn1c(-c2cc(F)ccc2Br)nnc1N1CCO[C@@H](C(=O)NC)C1 1358922237 XUOJGDRFWWLSRY-MRXNPFEDSA-N 450.312 2.211 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1CCc2nccn2C1 1359018156 GPEHLIFWGGSITL-IBGZPJMESA-N 481.988 2.407 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(OC)cc1C(F)(F)F 1359023316 GXLQLWJBPIUFFG-KRWDZBQOSA-N 451.449 2.391 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H](C)N1CCOCC1 1359024969 ZIGOLFHCTMIQFN-NHCUHLMSSA-N 490.649 2.199 30 10 JEEE C#CCSCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1359048811 BUVUXERUQUWBJU-NRFANRHFSA-N 480.638 2.114 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCC(=O)N[C@@H](C)CC 1359065925 HRJOTJQRJKXWAJ-MHECFPHRSA-N 486.642 2.492 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1359187211 FVOMEEHBHKQNSO-LJQANCHMSA-N 459.639 2.212 30 10 JEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1359203085 ICMLWUDAYFVOHT-OALUTQOASA-N 467.636 2.099 30 10 JEEE C=CCN(CC=C)c1nnc(-c2cc(Br)cn2C)n1CCC(=O)N1CCOCC1 1359267543 JZPZNZWYGIBMAS-UHFFFAOYSA-N 463.380 2.473 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1359305078 SGZLKRGCZBVGAN-LJQANCHMSA-N 475.615 2.125 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1ccc(N2CCCCC2)nc1 1360693361 HKFRLVANLYCRKG-JPYJTQIMSA-N 486.646 2.452 30 10 JEEE C#CCSCCNC(=O)c1cc(Br)cn(CCNC(=O)OC(C)(C)C)c1=O 1444387595 PGTZKRNIBSHWOQ-UHFFFAOYSA-N 458.378 2.232 30 10 JEEE Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)N1CCN(c2ccc(C#N)nc2)CC1 1455475856 HEEIAQGMGRMTGG-UHFFFAOYSA-N 458.448 2.308 30 10 JEEE C=CCn1c(SCC(=O)Nc2ccc(=O)n(CC(N)=O)c2)nnc1-c1ccc(Cl)cc1 1461383070 XULNAIJLIWGHAA-UHFFFAOYSA-N 458.931 2.162 30 10 JEEE C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@@H](CNC(=O)OC(C)(C)C)c3ccccc32)C1=O 1462570606 VRWSGCNLHUUKMJ-HNNXBMFYSA-N 456.499 2.008 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H](C)CN1CCOCC1 1507531884 DUFDKQHQRYIJIG-RTBURBONSA-N 463.586 2.101 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(N(C)C)cc1 1507820599 IIMJZBUSQCGQHU-NRFANRHFSA-N 476.647 2.322 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1507825001 KUPYKSMVEJDYFC-LJQANCHMSA-N 488.658 2.461 30 10 JEEE C=C(C)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1507830513 CYTJJMNFMYPADI-OAQYLSRUSA-N 454.575 2.357 30 10 JEEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 1507835567 FRDWDSJRCMHBBC-IHPCNDPISA-N 467.636 2.409 30 10 JEEE C=CCCOCCn1c([C@H]2CCCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1507966821 CTABNXTZGBXXJR-AZUAARDMSA-N 452.563 2.489 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cnn(CC)c1 1508003212 UTYVDJYTIVCREJ-OAQYLSRUSA-N 485.614 2.068 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCN(Cc3nc(O)c4ccccc4n3)CC2)nnc1C(C)(C)C 1508149285 TZQJXNHOGSGSDE-UHFFFAOYSA-N 499.641 2.147 30 10 JEEE CN(C)C(=O)CCCn1c(Cc2ccccc2F)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1516956551 GEGAZIMVPJQCOX-UHFFFAOYSA-N 476.560 2.470 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCN1c1cnn(C)c1 1539015088 NYGRXLOXSVBUMU-QKNQBKEWSA-N 498.632 2.447 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3noc4c3COCC4)n2C[C@@H](CC)OC)c1 1539039421 CGCMBUSOYMDLOT-GOSISDBHSA-N 464.526 2.487 30 10 JEEE C#CCCCCn1c(-c2noc3c2COCC3)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1539067437 GKAGYAAUNPSZQM-ZWKOTPCHSA-N 470.574 2.177 30 10 JEEE C#CCCCn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1539109834 WEARVXDGKRFOJX-UHFFFAOYSA-N 494.596 2.083 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@H]1CCC(F)(F)C1)[C@H]1CCS(=O)(=O)C1 1539202998 MLBXUVUWCREKQW-RDJZCZTQSA-N 471.574 2.259 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCc1ccncc1)[C@@H]1CCS(=O)(=O)C1 1539211366 IFLQDAVGCJJGCV-GOSISDBHSA-N 456.959 2.258 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@H](c1cccc(F)c1)N(C)C)[C@H]1CCS(=O)(=O)C1 1539226510 ZLYQBHSXXSRJCE-XZOQPEGZSA-N 496.612 2.333 30 10 JEEE C#CCN(CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@H]1CCOC[C@@H]1OC 1539377201 MRENHMIRVICMAM-UPVQGACJSA-N 466.630 2.154 30 10 JEEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2CCCN2C[C@H](C)O[C@@H](C)C2)CC1 1539454197 JFAWAOFVXGLQQF-GOTSBHOMSA-N 480.657 2.326 30 10 JEEE C#CCSCCn1c(CC2CC2)nnc1N1C[C@@H](C(=O)OC)[C@H](CNC(=O)OC(C)(C)C)C1 1539524403 BOUCDRPJYDJZGY-QZTJIDSGSA-N 477.631 2.347 30 10 JEEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 1539606271 BUVRBXCZCIVVBP-HNNXBMFYSA-N 492.374 2.380 30 10 JEEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(c2ccc(OC)cc2)CC1 1539776408 ZBJUKXWHAMLQTG-MRXNPFEDSA-N 469.011 2.366 30 10 JEEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1539902292 DFBNATIOXKXGSY-IRXDYDNUSA-N 455.625 2.265 30 10 JEEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2cscn2)CC1 1539966062 DUSRTHPOUJIEMX-QGZVFWFLSA-N 450.634 2.315 30 10 JEEE C=CCN(c1nnc(CN2CCCC2=O)n1CC[C@H](N1CCOCC1)C(F)(F)F)C1CC1 1540113973 FYHDJVMLMWSARB-KRWDZBQOSA-N 456.513 2.209 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Br)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1540900205 NZPGNVFRAQNGEX-HOTGVXAUSA-N 497.371 2.423 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(c2ncccn2)CC1 1540904107 KRLHSLFAEDDJOQ-UHFFFAOYSA-N 488.017 2.240 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCC[C@H](c3ccnn3C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1540908845 PBXRCEKOCBORLQ-WMZHIEFXSA-N 492.646 2.037 30 10 JEEE CC(C)N(C)C(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N(C)C)CC1 1541597293 GFGDOHUDRNQFHA-UHFFFAOYSA-N 481.601 2.290 30 10 JEEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1CN1CCCC1=O 1541803083 CAFVACOKCZHCDR-XLIONFOSSA-N 470.599 2.089 30 10 JEEE N#C[C@]1(F)CCN(c2nnc(CN3CCCC3=O)n2Cc2ccnc(OCC(F)(F)F)c2)C1 1555985915 BRLUIOANIBQAQF-LJQANCHMSA-N 467.427 2.227 30 10 JEEE C#CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CC[C@H](S(C)(=O)=O)C1 1587847626 PCSVAPPRVXYYGH-KRWDZBQOSA-N 468.583 2.102 30 10 JEEE C=CCNC(=O)Nc1ccc(NC(=O)[C@](C)(NC(C)=O)c2ccc(S(C)(=O)=O)cc2)cc1 1587964972 TUNAYZIOXORRCK-JOCHJYFZSA-N 458.540 2.388 30 10 JEEE C#CCN(c1nnc(-c2ccc(Br)s2)n1CCc1cn[nH]c1)[C@H]1CCS(=O)(=O)C1 1588040342 LRRDDSAOVFNUJV-AWEZNQCLSA-N 495.428 2.362 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCc1ccccc1OCC)[C@@H]1CCS(=O)(=O)C1 1588055258 ULQOFTAMVQCLFQ-LEWJYISDSA-N 472.611 2.440 30 10 JEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1588125014 YNTIEHJHPNSGPC-PMACEKPBSA-N 497.669 2.199 30 10 JEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CCc2ccccc2)CC1 1588969270 ZKCVJHGSOMZKIJ-UHFFFAOYSA-N 452.628 2.245 30 10 JEEE C#CCSCCn1c(-c2ccccc2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1589037335 XWWQEFHCQFDBDR-UGKGYDQZSA-N 452.628 2.300 30 10 JEEE C#CCn1ccc(CN(CCOC)C(=O)CN2C(=O)NC3(CCC(C(C)(C)C)CC3)C2=O)n1 1618760109 YMWXKRMNHXUYPA-UHFFFAOYSA-N 457.575 2.018 30 10 JEEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1 1631044809 ADLKTNBXDWFDIR-UHFFFAOYSA-N 458.462 2.481 30 10 JEEE C=CCC1(O)CN(C(=O)c2cccc(S(=O)(=O)N3CCN(c4ccc(F)cc4)CC3)c2)C1 1634492292 MIBWCPDUPJTISU-UHFFFAOYSA-N 459.543 2.100 30 10 JEEE C#CCN(C(=O)c1cc(S(=O)(=O)N(C)C)c(C)o1)C1CCN(C(=O)OC(C)(C)C)CC1 1649385164 MQBRGRWJZBDWAW-UHFFFAOYSA-N 453.561 2.313 30 10 JEEE CCOC(=O)c1cc(S(=O)(=O)N2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)cn1C 1663136288 HLCDDXRVBXDZPM-LJQANCHMSA-N 450.948 2.426 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1Cc1ncccc1N(C)C)[C@@H]1CCS(=O)(=O)C1 1689985926 FKZAEKQQKITSQJ-GOSISDBHSA-N 480.594 2.090 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2c(F)cccc2F)n1C[C@]1(N2CCOCC2)CCSC1 1690021079 HTYLFRDHMGSRDA-XMMPIXPASA-N 471.577 2.428 30 10 JEEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2CC2(NC(=O)OC(C)(C)C)COC2)CC1 1690132096 HICPDLWZNOLWIU-UHFFFAOYSA-N 496.612 2.214 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1690432601 HKRQTYPUWHVDTL-IBGZPJMESA-N 469.615 2.376 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1690660801 OOKLOTYSFSGLEK-QQMNAOGKSA-N 459.522 2.244 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(Cc2csc(C)n2)CC1 1690665523 GZWLFPZACZUNIS-UHFFFAOYSA-N 497.625 2.352 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(=O)c2ccco2)CC1 1690677958 GITGECXMTYXEGM-YLJYHZDGSA-N 470.574 2.054 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1ccc(C(=O)NC)cc1 1690678534 ZJJRFZJMWOUYND-TZIWHRDSSA-N 468.602 2.495 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCc2c(F)cc(F)cc2C1 1690714525 NYMGRXZUHHAUAT-UHFFFAOYSA-N 488.520 2.367 30 10 JEEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 1690733885 PYJNXJVVDWIZGA-CXAGYDPISA-N 485.598 2.337 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@H]1CC1(C)C 1692793382 GUVIDBHZTSOKEM-FUHWJXTLSA-N 457.604 2.133 30 10 JEEE CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1697000624 GDQDAAYXOSULGL-UHFFFAOYSA-N 450.934 2.328 30 10 JEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(C(=O)NCC)cc1 1705551409 NELKBPYOAUCFIY-FQEVSTJZSA-N 482.585 2.454 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3COc4ccccc4O3)n2CC(C)(C)O)n1 1705631988 UJNAXPYHIFGHQQ-NRFANRHFSA-N 466.542 2.044 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)Cc2ccc(OC)cc2)CC1 1705643452 GXZVHNYBNYWOIJ-HXUWFJFHSA-N 492.624 2.367 30 10 JEEE C=CCCCn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1705817484 LIYVHWAJOAKVSZ-RBUKOAKNSA-N 453.609 2.117 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1705902006 CISQMTLJUJWGAU-UHFFFAOYSA-N 461.570 2.348 30 10 JEEE CC(C)CO[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCN(C)C2)C1 1706530996 AAMJHUYVPRHTCD-URXFXBBRSA-N 454.575 2.047 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1cccc(OC)c1)N1CCCC1 1722296272 OREFHSSISIZIDL-CZTZKLFOSA-N 471.627 2.484 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2C[C@@H]2CCCN2CCCO)c1 1722305070 MCLRXMCRHWLKDN-QHCPKHFHSA-N 473.581 2.243 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CCCNC(=O)OC(C)(C)C)c1 1722310052 RTNBKUDBQHYYGJ-IBGZPJMESA-N 495.584 2.200 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCCO3)n2C[C@@H]2CCCS(=O)(=O)C2)c1 1722310389 VINRAVWRORHZDS-FPOVZHCZSA-N 485.610 2.401 30 10 JEEE C#CCN(c1nnc(C2CCC2)n1Cc1cccc(Br)n1)[C@@H]1CCS(=O)(=O)C1 1722368375 QRUVPVPDPZNZGC-MRXNPFEDSA-N 464.389 2.378 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2CC(=O)N(C)CC)CC1 1722446190 QLRLXIIKHNCFDU-UHFFFAOYSA-N 475.553 2.044 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H](C)N1CCCCC1 1722516623 CBLMHIAROZZUDY-PMACEKPBSA-N 468.668 2.278 30 10 JEEE C=C(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1722523496 WEHMGYFBZPCBAB-UHFFFAOYSA-N 487.649 2.369 30 10 JEEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 1722620569 SIFHTOLLEDRYAZ-RTWAWAEBSA-N 471.650 2.184 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC(Oc2ccc(OC)cc2)CC1 1722697100 FUPWQXLFDJSITJ-UHFFFAOYSA-N 451.531 2.037 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC(C(=O)NCc2ccc(C)cc2)CC1 1722702468 KWSHRCXICYMHMX-OAQYLSRUSA-N 466.586 2.273 30 10 JEEE CC(C)C[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2C#N)CC1)N(C)C 1723254521 CHTXOFBYUHGMIF-SFTDATJTSA-N 464.618 2.404 30 10 JEEE C#CCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(Cc2nc(COC)no2)CC1 1740568626 JYBGPJMOBVQAMP-UHFFFAOYSA-N 460.542 2.472 30 10 JEEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1C[C@@H](F)COC)[C@@H]1CCS(=O)(=O)C1 1740623840 BPNLYMZJZIIKPH-RTBURBONSA-N 464.563 2.085 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccc(C)cc1OCC)[C@H]1CCS(=O)(=O)C1 1740626605 MHYSKOGGISGMFK-PMACEKPBSA-N 458.584 2.164 30 10 JEEE C#CCN(c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(C)C)[C@@H]1CCS(=O)(=O)C1 1740627405 QHGPPGHAAYVBAO-MOPGFXCFSA-N 495.646 2.259 30 10 JEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCc2c(OC)cc(OC)cc2OC)CC1 1740698445 GFJYOQSTSVAMDH-UHFFFAOYSA-N 493.612 2.163 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 1740749607 AFMLBFXLLYMIQW-GMAHTHKFSA-N 480.613 2.289 30 10 JEEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(CCOc2cccc(OC)c2)CC1 1740783829 WXOASNXDSWTVEG-UHFFFAOYSA-N 454.575 2.186 30 10 JEEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1740795535 WXVZQXKEZOHPDV-SFHVURJKSA-N 496.659 2.041 30 10 JEEE C=C(Cl)Cn1c(N2CCN(c3cnn(C)c3)C(=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740817065 UDNXNXVYRBIUHA-IYBDPMFKSA-N 490.996 2.388 30 10 JEEE C=CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1)c1ccccc1 1740854088 LAAOGQHWCUGANP-WOJBJXKFSA-N 451.575 2.332 30 10 JEEE C=CCCCCn1c(Cc2ccccc2OC)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1740864000 CXXPZKMYQSNBQE-UHFFFAOYSA-N 466.586 2.161 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc(CN2CCCC2=O)n1CC(=O)NCC(F)(F)F 1740917837 GSKFLYIEIAMAKS-UHFFFAOYSA-N 450.465 2.272 30 10 JEEE C=CCN(CC=C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@]1(O)CCS(=O)(=O)C1 1740932220 JKXGWNHBJZMXRX-HSZRJFAPSA-N 495.646 2.121 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1740955184 YBZABSWLXAOURD-RDJZCZTQSA-N 477.656 2.447 30 10 JEEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@]3(CCOC3)C2)cc1 1740965097 DCIFDJHXVGJDDM-JTSKRJEESA-N 461.588 2.118 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1C[C@H]1CCN(CCc2ccccc2)C1 1741917433 FHEASJJLSWLOMV-KNQAVFIVSA-N 485.658 2.193 30 10 JEEE C[C@](O)(Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C(N)=O)CC1)c1cccs1 1741954387 GYZFSVGDSZPDML-QHCPKHFHSA-N 466.567 2.400 30 10 JEEE C#CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1748803312 RMAIVMSXUBQQJZ-ZGXWSNOMSA-N 463.648 2.470 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCCn1cccn1)[C@H]1CCS(=O)(=O)C1 1748804384 HBFKLXAZLRIUPW-ICSRJNTNSA-N 486.573 2.471 30 10 JEEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CCc1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 1748804468 IDQGSBXNCZXREX-WIOPSUGQSA-N 486.638 2.497 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1Cc1ccccc1N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1748805279 PWYZAHURCQHEBX-TZIWHRDSSA-N 471.627 2.303 30 10 JEEE C#CCN(c1nnc(C2CCC2)n1CCCn1cc(Br)cn1)[C@H]1CCS(=O)(=O)C1 1748814623 HPYJIZHGWAAOGA-KRWDZBQOSA-N 481.420 2.222 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1cc(Cl)ccc1OC)[C@H]1CCS(=O)(=O)C1 1748824222 LPYIKEHVDTVMRZ-PKOBYXMFSA-N 464.975 2.467 30 10 JEEE C#CCN(c1nnc(COc2ccccc2OC)n1CCc1cccc(C)n1)[C@@H]1CCS(=O)(=O)C1 1748825345 XUEIZYFBVKENSU-OAQYLSRUSA-N 495.605 2.439 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCN2CCC[C@H]2C)CC1 1749001560 WQFCRCTZEKMCTP-NJYVYQBISA-N 471.650 2.288 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1749003723 SZWNAXSKOFUOOM-VQTJNVASSA-N 489.523 2.052 30 10 JEEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1749027456 ZSVGLVCRSASXKE-KRWDZBQOSA-N 473.990 2.127 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1c(OC)cc(OC)cc1OC 1749066493 KHIITMUGTFMIKE-BXKMTCNYSA-N 488.610 2.441 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2ccc(OC)cc2)CCC1 1749488861 NVOOIFCPKQABAB-FQEVSTJZSA-N 475.615 2.364 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN([C@@H](C)c2nccs2)CC1 1749732493 XJPSCUADPGACFU-ROUUACIJSA-N 480.660 2.113 30 10 JEEE CC1(C)CC(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(CCC#N)CC2CC2)C1 1751286009 GQZSUGSUSGBZLH-SFHVURJKSA-N 450.609 2.177 30 10 JEEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1CCNC(=O)OC(C)(C)C 1760224128 YHDIAAGWXKGENL-UHFFFAOYSA-N 456.572 2.257 30 10 JEEE C#CCN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cccnc1N1CCOCC1 1760227443 FIKJTVDYDIMEHY-DEOSSOPVSA-N 454.575 2.058 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2cccnc2OCCC)CC1 1760271494 ZOFHBXIKNAGWKM-UHFFFAOYSA-N 490.612 2.338 30 10 JEEE C=CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1760422345 FXJLKSNRBUSCFI-SFHVURJKSA-N 481.644 2.175 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccccn2)n1CCS(=O)(=O)N(C)C 1760479550 SPDGGWAYDOHNRH-UHFFFAOYSA-N 451.556 2.296 30 10 JEEE C=CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCC[C@@H](O)C1 1760502639 HGOFVGYBOIFKCU-QZTJIDSGSA-N 462.620 2.428 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(CCOC)[C@H]1CC[C@@H](C)C1 1760521225 NBXZRQOTRDSYAW-MSOLQXFVSA-N 479.585 2.136 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2CC2(O)CCOCC2)C1 1760537318 MXSNITIMKDQWCK-MRXNPFEDSA-N 466.380 2.369 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@H]2CC(F)(F)CO2)C1 1760539908 XRNAVUGOCALESD-QZTJIDSGSA-N 497.568 2.401 30 10 JEEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 1760564215 SJWGRHJPKAAPCP-UXHICEINSA-N 484.674 2.471 30 10 JEEE CCN1C[C@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCOCC2)C[C@@H]1C 1765394816 DCIWOMQDKJKKTJ-SFTDATJTSA-N 467.618 2.370 30 10 JEEE CN(C)c1ccc(Cn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N2CC[C@@](F)(C#N)C2)cn1 1766909342 ATGSUXSUWPHEMX-HSZRJFAPSA-N 498.588 2.147 30 10 JEEE N#C[C@H]1CN(c2nnc(-c3ccc(Br)cc3Cl)n2CCn2cncn2)CCO1 1770746285 BVWLDEWTUAVDPP-ZDUSSCGKSA-N 463.727 2.381 30 10 JEEE C=CCOc1ccccc1OCC(=O)NCCc1ccc(S(=O)(=O)N2CCN(CC)CC2)cc1 1859555171 AMBAKFVKJAUUEK-UHFFFAOYSA-N 487.622 2.315 30 10 JEEE COC(=O)c1ccc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2CCCN2CCOCC2)cc1 1862563317 AJXKPVNBDVJEKB-QFIPXVFZSA-N 479.533 2.356 30 10 JEEE COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2C[C@@H](C)O)cc1 1862574922 VIORCQBQQWNPEO-XCLFUZPHSA-N 455.463 2.450 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)Nc2ccc3c(c2)OCO3)cn1CCOC 1870434739 ZUCQXUYXLQKTIG-UHFFFAOYSA-N 455.511 2.415 30 10 JEEE CC(C)N1C(=O)CS[C@H](C(=O)N2CC[C@@H](Oc3cnccn3)C2)[C@H]1c1ccc(C#N)cc1 1891291247 TVPWAVGDPLJJAS-QIJUGHKUSA-N 451.552 2.422 30 10 JEEE Cc1nc(I)c(I)n1-c1nccc(C#N)c1N 1941546453 SOCQXTMFKKHJNS-UHFFFAOYSA-N 451.009 2.239 30 10 JEEE CC(C)(C)OC(=O)N1CCSC[C@@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2060623208 JRXQOAHZOMVANT-CQSZACIVSA-N 450.370 2.067 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)NCCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2180981670 WCJLBWINUQXYRH-MOPGFXCFSA-N 460.380 2.015 30 10 JEEE CO[C@H]1[C@@H](C(=O)N2C[C@H]3C(B4OC(C)(C)C(C)(C)O4)[C@@H]3C2)N(C(=O)OC(C)(C)C)C[C@H]1OC 2205488395 LHPFRGWAYBJNJN-IFCWYPFCSA-N 466.384 2.186 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2247952931 QINIJYKEHTXFNA-TZMCWYRMSA-N 458.411 2.239 30 10 JEEE C=CCC1(NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](O)C(F)(F)F)CN(C(=O)OC(C)(C)C)C1 2254213936 VAPNDPJTELACEJ-STQMWFEESA-N 467.485 2.485 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC2(CO)CN(C(=O)OC(C)(C)C)C2)s1 2255859961 XBDMYNXDIAHJEH-UHFFFAOYSA-N 452.382 2.067 30 10 JEEE CC(C)(C)OC(=O)N(CC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1)[C@@H]1CCOC1 2259868502 MVDCQNGVPAWQHR-CYBMUJFWSA-N 453.370 2.407 30 10 JEEE CC(C)(C)OC(=O)N1CC(CO)(NC(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2Cl)C1 2267012088 OXWFDUWNNXTAFR-UHFFFAOYSA-N 466.771 2.351 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]1NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2267365873 WZSIYGZRCBMTIF-BBRMVZONSA-N 470.372 2.316 30 10 JEEE CC(C)(C)OC(=O)N1CC=C[C@H](NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2267712579 GHHOSCGRHUSHDR-KRWDZBQOSA-N 464.393 2.440 30 10 JEEE CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)s1 2268638793 KFSKXRJZDRRMFC-OAHLLOKOSA-N 468.381 2.120 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@](F)(CNC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2282018469 XIVQFBBIBRIKPH-CAJLXGCNSA-N 464.347 2.149 30 10 JEEE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1N(C)C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2282030186 BSWPOPBVRPILLQ-RDJZCZTQSA-N 460.384 2.493 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)n1 2282045329 VOSLCMBOXBHADE-MRXNPFEDSA-N 461.368 2.055 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2F)CCO1 2282399544 PGNZVQXCTYJLQU-HNNXBMFYSA-N 464.343 2.491 30 10 JEEE C[C@H]1CC[C@H](NC(=O)C(F)(F)F)CN1C(=O)c1nn(C)c(Cl)c1B1OC(C)(C)C(C)(C)O1 2282547283 ZHXAKUNALWBGRK-QWRGUYRKSA-N 478.708 2.044 30 10 JEEE Cn1ncc(C(=O)NCC2(F)CC(CNC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2282567928 VABSOTNKGVTVSE-UHFFFAOYSA-N 466.363 2.092 30 10 JEEE CC(C)(C)OC(=O)NCCO[C@@H]1CCN(C(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282668762 JSBMUDAYJBEOCK-GOSISDBHSA-N 461.368 2.137 30 10 JEEE C[C@H](NC(=O)C1=C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C1)c1nscc1B1OC(C)(C)C(C)(C)O1 2284046125 WBLVRJASUXNCIV-VBNZEHGJSA-N 479.408 2.204 30 10 JEEE COc1ccc(OCCCc2nnc(SCC(N)=O)n2N=Cc2ccc(C(=O)O)cc2)cc1 2326250361 YXTOXLQKQUHMKF-UHFFFAOYSA-N 469.523 2.456 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CS(C)(=O)=O)C(=O)Nc1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2360641943 DGAPQIJKLZYFJJ-INIZCTEOSA-N 486.371 2.001 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(C)[C@@H](CNC(=O)OC(C)(C)C)C2CC2)n1C 2362482090 AVUCBAZZXATTLX-INIZCTEOSA-N 462.400 2.403 30 10 JEEE CCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)[C@@H](CC)n1c(N)nnc1SCC#N 40173439 JUGNXAPHSLFPBR-OAHLLOKOSA-N 454.516 2.428 30 10 JEEE COCCNC(=O)C[C@@H]1S/C(=N/N=Cc2ccc(OCc3ccccc3)c(OC)c2)NC1=O 245285833 YWMJPNUTUFPVCE-FQEVSTJZSA-N 470.551 2.348 30 10 JEEE COc1ccc(C=NN=C2NC(=O)[C@@H](CC(=O)Nc3ccccc3)S2)c(C(=O)O)c1OC 252514498 CQVCIBLDOOBUFU-OAHLLOKOSA-N 456.480 2.352 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)C[S@@](=O)CCCN3C(=O)c4ccccc4C3=O)cc21 586307157 GAIGZVSNSVPCTN-XIFFEERXSA-N 466.515 2.216 30 10 JEEE C#CCN(CC(=O)O)C(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C)OC 757529859 KWWPYARZIFWBML-MWTRTKDXSA-N 450.491 2.475 30 10 JEEE COc1cc(CNC(=O)CSc2n[nH]c(NN=Cc3ccc(O)c(OC)c3)n2)cc(OC)c1 1084008141 AZNWEYKJJNPOQY-UHFFFAOYSA-N 472.527 2.391 30 10 JEEE COC(=O)c1ccc(C=NNc2nnc(SCc3nc4ccc([N+](=O)[O-])cc4[nH]3)n2N)cc1 1084052490 LYWGOKRYTWBDII-UHFFFAOYSA-N 467.471 2.301 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1CCc1nc(C(F)(F)F)cs1)[C@@H]1CCS(=O)(=O)C1 1286388867 CLKGUKZSHPWHTI-CYBMUJFWSA-N 497.528 2.080 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CCCOc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1286393130 OVJSVEMOWPQDKL-OAQYLSRUSA-N 465.579 2.360 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1286538312 OMFULTRLMDEMNF-OAHLLOKOSA-N 476.441 2.331 30 10 JEEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCCOc1cccc(S(C)(=O)=O)c1 1286593751 RHVUVBDYUGOFFY-QGZVFWFLSA-N 482.628 2.065 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCN(C(C)C)CC1 1286823884 ZRLOIVPOBJHNIJ-UHFFFAOYSA-N 456.616 2.481 30 10 JEEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](CC(C)C)C1 1286832330 RVJWXRGODSZQOU-QZTJIDSGSA-N 457.666 2.403 30 10 JEEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1300412198 YVMYYZBWPNRBDW-HXUWFJFHSA-N 450.591 2.170 30 10 JEEE C#CCCCn1c(COc2ccc(C)cc2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1300422663 VQZPBFVBPCNLCQ-HXUWFJFHSA-N 450.587 2.368 30 10 JEEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 1300428787 NXRWPQZWMBWPRC-PWRODBHTSA-N 495.690 2.487 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1cc(F)ccc1OC)[C@H]1CCS(=O)(=O)C1 1300488379 RHTXWPXCERBPAN-IBGZPJMESA-N 455.515 2.163 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1CC[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1300504609 OSQPVFDAEHGFFZ-WOJBJXKFSA-N 458.584 2.219 30 10 JEEE C#CCN(CC#CC)c1nnc(COc2ccc(C)c(C)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1300591181 MUGYGPJNNQAVFU-OAQYLSRUSA-N 469.611 2.218 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCc2c[nH]c3cc(C)ccc23)CC1 1300710882 OTSPNROLARQIPQ-UHFFFAOYSA-N 475.597 2.415 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2Cc2cnn(CC)c2)CC1 1300731427 PMNGKGVUUVEKJA-UHFFFAOYSA-N 465.533 2.227 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1CCNC(=O)Cc1cccc(F)c1 1300778934 KQRUEPNXRMXVGH-XMMPIXPASA-N 452.534 2.004 30 10 JEEE C=C(C)Cn1c(N2CCN([C@@H](C)C(=O)NC3CCCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1300970044 IUDTUBNABIBEKD-NBGIEHNGSA-N 474.650 2.464 30 10 JEEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1300999553 DPBUCXGIMGTRJZ-QFIPXVFZSA-N 468.606 2.451 30 10 JEEE C=CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](Cn2cccn2)C1 1301602361 YWVYIPRDPRYUSN-IBGZPJMESA-N 488.639 2.370 30 10 JEEE CS(=O)(=O)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCOC2(CCCC2)C1 1302459160 BSVROCIPEZLIGK-UHFFFAOYSA-N 459.572 2.313 30 10 JEEE CNS(=O)(=O)c1cccc(Cn2c(Cn3nc(C)cc3C)nnc2N2CCC[C@@](C)(C#N)C2)c1 1315063592 IFVJKBCWXFVABZ-QHCPKHFHSA-N 482.614 2.226 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(N2CCSCC2)CCCCC1 1358890890 WRILGGUJRYAMMU-RBUKOAKNSA-N 465.689 2.390 30 10 JEEE C#C[C@H](C)N(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1C[C@@]1(O)CCS(=O)(=O)C1 1358895679 OHMULUYKOSHTLI-JTSKRJEESA-N 481.018 2.259 30 10 JEEE C#CCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1358921187 QOSONDZYEPJBEF-SFHVURJKSA-N 470.549 2.144 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@@H]1CCOC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1358959566 LNRPTCGSJFGQKP-GBESFXJTSA-N 458.584 2.253 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1Cc1c(CC)noc1C)[C@H]1CCS(=O)(=O)C1 1358965140 OPJXKLSJAMYTQN-KRWDZBQOSA-N 474.612 2.168 30 10 JEEE C#CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1CC1)[C@@H]1CCS(=O)(=O)C1 1358968048 YHJRJELYSAAACM-FGTMMUONSA-N 463.604 2.086 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@@]1(O)CCO[C@@H]1C 1358974003 NHIVFQDHITXAHT-VFNWGFHPSA-N 459.344 2.329 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C(C)(F)F)cc1 1359024420 MOKVTNYJQXDWKL-QGZVFWFLSA-N 452.527 2.426 30 10 JEEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(C(=O)NCCOC)CC1 1359052459 GAQVCHWZOPWIPC-UHFFFAOYSA-N 463.007 2.339 30 10 JEEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1359081597 HQGIVEJCSNRQOA-UHFFFAOYSA-N 460.384 2.033 30 10 JEEE C=CCC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1359190849 FXOFPHRROUCOFK-GOSISDBHSA-N 454.579 2.215 30 10 JEEE C=CCCCCn1c(CN2CCCC2=O)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1359205641 FDSCPEXPAQZOPN-UHFFFAOYSA-N 455.563 2.452 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1cccc(C)c1)C1CC1 1359251237 GGLUBBXKOMFBFW-FQEVSTJZSA-N 461.588 2.153 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(Cc2cc(C)no2)CC1 1359329258 CXHBALDCELDAEX-UHFFFAOYSA-N 481.582 2.036 30 10 JEEE CC(=O)N1CC[C@H](CN(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccc(C#N)o2)C1 1359356212 IHSDEKOYNGEZSD-WZONZLPQSA-N 456.547 2.136 30 10 JEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCCC2)c1 1466375001 SXMYRIPJODYFNO-UHFFFAOYSA-N 451.545 2.289 30 10 JEEE C=CCCO[C@H](C)C(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1469000958 BIONCANDGVUCRP-QRQLOZEOSA-N 450.580 2.362 30 10 JEEE CCn1cc(C2CCN(c3nnc(-c4cccc(C#N)c4)n3CCS(C)(=O)=O)CC2)cn1 1502216692 DJADSZSLMYOLET-UHFFFAOYSA-N 453.572 2.462 30 10 JEEE COCCc1noc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)C(C)(C)C)n1 1504774052 AHRIXSVTFGILSM-UHFFFAOYSA-N 466.546 2.187 30 10 JEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(NC(=O)CCC)CC1 1507577544 QZGSXCCPQWLKNE-UHFFFAOYSA-N 486.642 2.494 30 10 JEEE C#CCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1507587873 BFUQHLAYSCROIT-WIYYLYMNSA-N 473.599 2.312 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H]2OCCC2(C)C)CC1 1507737099 YCKVKWPGYLLNLN-CJFMBICVSA-N 473.618 2.100 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2C[C@@H]2CCOC[C@H]2OC)CC1 1507742821 QZDVXEAABXBBNW-XZOQPEGZSA-N 465.598 2.195 30 10 JEEE C=C(Br)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1507776982 BRJIPKSOLXZVFO-MRXNPFEDSA-N 471.377 2.494 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCC(OCC(N)=O)CC1 1507811337 PWLSKSYTIKGFMX-HXOBKFHXSA-N 473.549 2.448 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C2CCCC2)CC1 1507845154 XHNQYGQJBLLCPA-IBGZPJMESA-N 451.637 2.228 30 10 JEEE C=CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1507941621 HLOKFWDIRZDSJE-UHFFFAOYSA-N 470.574 2.102 30 10 JEEE C=CCCOCCn1c(N2CC(=O)N(C)[C@H](C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1507966343 QFPSHOOZEIKLQS-KURKYZTESA-N 462.595 2.308 30 10 JEEE C=CCn1c(N2CCC([C@]3(C)NC(=O)NC3=O)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1508066399 QBZSVONRWNVCHE-UIMAMFOWSA-N 473.578 2.049 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCC[C@H](CC(N)=O)C1 1508074993 VBFGEZIOCOOMHZ-CYBMUJFWSA-N 479.354 2.241 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1508090582 IBVIYSZTVHXONG-HSZRJFAPSA-N 495.672 2.381 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1508136163 PWIZTNCDMXIUTI-UHFFFAOYSA-N 470.599 2.112 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2cccs2)CC1 1508143479 LSBKHPIUOPGKPZ-UHFFFAOYSA-N 475.644 2.129 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)nnc1C(C)(C)C 1508148205 GRFNXCOEEDYMKV-SFHVURJKSA-N 487.692 2.007 30 10 JEEE CC(C)N(C)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1509510032 DEPBUGJMUYRSEW-NRFANRHFSA-N 474.631 2.472 30 10 JEEE CC(C)N(C)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1509510035 DEPBUGJMUYRSEW-OAQYLSRUSA-N 474.631 2.472 30 10 JEEE CC[C@H](C)NC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)C)CC1 1513199585 BOBWPVODWKOJNH-IBGZPJMESA-N 453.591 2.421 30 10 JEEE COC1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CCCC2)C1 1517909605 CCCCTCLYHONAMJ-UHFFFAOYSA-N 459.572 2.311 30 10 JEEE C=CC1CCN(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1 1538074138 YMNSXQFOZCXCNM-UHFFFAOYSA-N 453.992 2.378 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cn3nc(C)cc3C)n2CCCN2CCOC2=O)c1 1539046028 KXFHVONIMBZGLX-UHFFFAOYSA-N 490.568 2.038 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1cccc(C(=O)NCC)c1)[C@H]1CCS(=O)(=O)C1 1539202365 HJEZTZQLNVFRBO-IBGZPJMESA-N 457.600 2.000 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCN(CC)C1 1539266449 QTUHRHHPYZHSGE-PMACEKPBSA-N 456.591 2.001 30 10 JEEE C#CCN1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCCCCSC)CC1 1539445987 MTJQVNCBYFDXGV-UHFFFAOYSA-N 465.627 2.481 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCN(c2ncccc2F)CC1 1540868091 RMLWYKXFYVEADE-UHFFFAOYSA-N 451.506 2.117 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(c2cccc(OCC)n2)CC1 1540872148 DQOYMYFOLGRFPG-UHFFFAOYSA-N 479.560 2.431 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@@H](C(=O)OC)C1 1540901496 FVRSQWASBLKNEV-MRXNPFEDSA-N 457.556 2.417 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCNC(=O)c1cccs1 1587620455 FJXOOYJVGULOSW-OAHLLOKOSA-N 461.551 2.141 30 10 JEEE C#CCN(C)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1CCN1CCN(C(C)=O)CC1 1587915065 BWULUVXZSATADA-LJQANCHMSA-N 454.575 2.050 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@]2(O)CCO[C@H]2C)CC1 1588907742 FJMWTROYOXOPAQ-NPMXOYFQSA-N 475.952 2.243 30 10 JEEE C=C(Br)Cn1c(-c2cccnc2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1589367429 UUEVARIDBZGBFI-HNNXBMFYSA-N 460.336 2.015 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCN(C(C)=O)C[C@H]2C)nnc1[C@]1(OC(C)C)CCOC1 1589577220 ATRUWRNLBFBQRG-HWXYTADMSA-N 461.607 2.357 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC[C@@H](C2CCC2)C1 1594497378 GJPIGMWPDIYOMM-PMACEKPBSA-N 481.663 2.466 30 10 JEEE C=CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@H](C)C(=O)NC 1594732424 CLRMRRKUVFIPIO-IRXDYDNUSA-N 450.584 2.371 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1595594303 MXBGLZKIEKOAIE-UHFFFAOYSA-N 498.481 2.193 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@H]1CCCCO1 1608584147 FCLHIAVPWGVIMI-OAQYLSRUSA-N 451.575 2.179 30 10 JEEE Cc1cccc([C@H](Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)C[C@@H](C)C#N)N2CCOCC2)c1 1612173297 FPBUXABKOFDETO-JBACZVJFSA-N 451.575 2.207 30 10 JEEE N#Cc1ccc(-c2nnc(N3CCNC(=O)C3)n2Cc2ccc(OCC(F)(F)F)nc2)cc1 1620350284 HCRZLCRWPMJZJU-UHFFFAOYSA-N 457.416 2.137 30 10 JEEE C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@H]2CC(=O)N(C(C)(C)C)[C@@H]2c2cnn(C)c2)c1 1629308559 DEBZJJMTXCGAGE-UTKZUKDTSA-N 473.599 2.003 30 10 JEEE CC[C@H](C#N)Oc1cc(CNC(=O)[C@@H]2CCCCN2C(=O)c2ccc(O)nn2)ccc1OC 1633486051 ACHNSFWKUFDCPS-AEFFLSMTSA-N 453.499 2.183 30 10 JEEE C#Cc1ccc(NC(=O)CCN2CCN(c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])CC2)cc1 1657692824 WGQIDDXHUFOCJK-UHFFFAOYSA-N 456.524 2.130 30 10 JEEE C=CCCc1ccc(S(=O)(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)cc1 1661419068 LGEBOYPHEBYBBX-FQEVSTJZSA-N 457.600 2.379 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2CC2CCN(C(=O)OC)CC2)c1 1689870445 OETZHOUNYRQPBB-UHFFFAOYSA-N 488.552 2.270 30 10 JEEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H](c1ccccc1)N1CCOCC1 1689947940 OVNNLKVLRBNELK-WIOPSUGQSA-N 453.587 2.462 30 10 JEEE C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@@H]1CCSC1(C)C)[C@@H]1CCS(=O)(=O)C1 1689979836 ICKISMUJJPNTJC-OKZBNKHCSA-N 470.661 2.161 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1ccc(N(C)C)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1689994298 VUCXVECYLPWZRH-HXUWFJFHSA-N 482.585 2.144 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(CC)cc3)n2CCCc2cnn(C)n2)CC1 1690139681 XFCKGDMVHFIWPL-UHFFFAOYSA-N 460.586 2.235 30 10 JEEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1690163373 CKXRMFYUAMJMJK-QGZVFWFLSA-N 476.050 2.397 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CC[C@H](C(N)=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1690254181 YMZRGDCWXBMIRL-LFDJNIOPSA-N 474.606 2.342 30 10 JEEE C=C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC(=O)NCC(F)(F)F)CC1 1690367408 NMYMPUPUURKUOF-UHFFFAOYSA-N 486.520 2.030 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1690526826 DYAMFCRDTKTGRQ-IAGOWNOFSA-N 453.609 2.450 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1690726505 CFVMVCUQRQRVKK-GOSISDBHSA-N 458.650 2.015 30 10 JEEE C=CCSCCn1c(-c2cccc(C)n2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1690742367 OBJAFDHCVHPNQQ-SFHVURJKSA-N 455.632 2.357 30 10 JEEE CC(C)(C)C(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1691036424 GVZBEXFYAIJBOZ-LJQANCHMSA-N 479.585 2.092 30 10 JEEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(Cc2cnc(C)s2)CC1 1696476236 CUAIUPWITASIDH-UHFFFAOYSA-N 485.639 2.339 30 10 JEEE CCS(=O)(=O)N(C)CCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@H](C)CC#N 1696487921 GKYCJMPJAQOPCA-CYBMUJFWSA-N 472.413 2.446 30 10 JEEE N#Cc1ccc(OCc2nnc(N3CCC(OCC(N)=O)CC3)n2CCSC(F)(F)F)cc1 1698488229 ACHIRRRRUOLMDN-UHFFFAOYSA-N 484.504 2.452 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccsc3)n2C[C@@]2(O)CCOC2)c1 1705508517 XIWLFDHQLBLUIF-QHCPKHFHSA-N 451.552 2.138 30 10 JEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)c2ccccc2C)CC1 1705532988 SVFRYHWBBMYKHE-IBGZPJMESA-N 469.611 2.301 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1c(CC)noc1C)[C@@H]1CCS(=O)(=O)C1 1705564419 BDZWCRSRTDDDHU-QGZVFWFLSA-N 454.556 2.182 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1CCCN1C[C@H](C)O[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1705571451 ZKWQYDZQGYTIEX-AOHZBQACSA-N 499.681 2.189 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@@H](c2ccco2)N(C)C)CC1 1705650167 NIRNXZZUSPBCAC-NRFANRHFSA-N 461.570 2.126 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1705902663 KWNHGZUADPVGEY-FQEVSTJZSA-N 458.010 2.117 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1705935054 FPNUDPCOSKWMCX-GOEBONIOSA-N 459.494 2.021 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(c2cnn(C)c2)CC1 1705935197 JOFUDDHOHMFDQY-UHFFFAOYSA-N 490.033 2.183 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2C[C@H](C)S[C@@H](C)C2)nnc1[C@]1(OC(C)C)CCOC1 1705939566 ZSOLMOZAZGXWON-ZWOKBUDYSA-N 458.650 2.250 30 10 JEEE CCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1709441903 FBISQIZMJAXJDA-VWLOTQADSA-N 474.569 2.188 30 10 JEEE COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1 1712453929 DGYRUVJZRVIHCR-ZCNNSNEGSA-N 480.679 2.303 30 10 JEEE COCCN1C[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@H](C)C2)CC1=O 1712472724 FZAMNTVAIZRLSK-ICSRJNTNSA-N 452.559 2.460 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1([S@](C)=O)CCC1 1722294879 IDUVCJXUWFOSNT-DLKQWWBSSA-N 465.620 2.346 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2C[C@@H](C)CN2CCOCC2)c1 1722307334 VDPULZKCEGIQKD-SIKLNZKXSA-N 466.586 2.154 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1722363072 QNQFLBKBOPSFMM-HXUWFJFHSA-N 457.600 2.066 30 10 JEEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1C[C@H]1NC(=O)CC1(C)C)[C@H]1CCS(=O)(=O)C1 1722372268 SQMJAESLIJGXOE-PZJWPPBQSA-N 499.637 2.015 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CC[C@@]2(CCOC2)O1 1722391121 ZXWGPWDTYHVYKZ-YKSBVNFPSA-N 468.579 2.150 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1nnc(CC)s1 1722417547 LCYFSEPNVWAZBW-AWEZNQCLSA-N 477.591 2.129 30 10 JEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCOc2ccc(Cl)cn2)CC1 1722441358 QJRYKYIWNPNOMS-UHFFFAOYSA-N 454.966 2.022 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2CC2(COC)CCOCC2)CC1 1722441852 NQMJTDNICIUNSR-UHFFFAOYSA-N 469.586 2.064 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2C[C@H]2CN(CC(C)C)CCO2)CC1 1722447978 SJHUCNGNIHJUAT-OAQYLSRUSA-N 458.651 2.189 30 10 JEEE C#CCSCCn1c(-c2c[nH]c3ccccc23)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1722458144 WKVYYNNPZVMHBQ-INIZCTEOSA-N 458.613 2.311 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCN(C(=O)OC)[C@@H](C)C2)nnc1[C@]1(OCC)CCOC1 1722503727 XPYGCPFFOBBELB-KGYLXKDPSA-N 463.579 2.188 30 10 JEEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1722604309 XOGDJDDKUGTWFZ-GOSISDBHSA-N 473.599 2.205 30 10 JEEE C=CCN(c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCS(=O)(=O)NC(C)C)C1CC1 1722650770 KRHYYOOYPOENBG-SFHVURJKSA-N 498.650 2.069 30 10 JEEE CC(=O)N1CCCN([C@@H]2CN(c3nnc(C(C)(C)C)n3Cc3ccc(C#N)o3)C[C@H]2C)CC1 1722776083 XUQZQZHRJQRLQV-DYESRHJHSA-N 453.591 2.467 30 10 JEEE CCCOc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCN2CCC(O)CC2)cc1OC 1728216415 BFPIABVZCSXTTE-NRFANRHFSA-N 484.601 2.318 30 10 JEEE C#CCCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(C(C)=O)C[C@@H]1C 1740567553 LHGZAWXYXUYIRE-KRWDZBQOSA-N 471.631 2.407 30 10 JEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(c2ncccc2F)CC1 1740574013 IVZIIWJSHGHDMD-GOSISDBHSA-N 460.579 2.235 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCc1ccn(C)n1 1740653166 CCOYDRNCRHIGTM-UHFFFAOYSA-N 454.538 2.114 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 1740657783 YJBRAJGSIYDZHC-HXUWFJFHSA-N 487.626 2.210 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cn2cc(Cl)cc(Cl)c2n1 1740685685 KJULWGTXJGMESX-CQSZACIVSA-N 497.408 2.269 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC2(O)CC(OCC)C2)CC1 1740701968 SYQIRSDFTNDBBN-UHFFFAOYSA-N 471.989 2.494 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCN(C)C(C)C)CC1 1740702972 CIFASGUUPDGYQU-UHFFFAOYSA-N 453.547 2.159 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(F)c(Cl)c2)CC1 1740708535 SMWSCIFHSBTAEV-UHFFFAOYSA-N 472.952 2.207 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)CC1CCC1 1740762707 VUIQNVBUEUDUEO-ZCNNSNEGSA-N 467.636 2.219 30 10 JEEE C=C(C)COCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(NC(=O)COC)CC1 1740789484 FIIOEYNUPCKRKP-UHFFFAOYSA-N 471.558 2.040 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[C@@H](C)N2CCCCC2)CC1 1740824942 GFNBEPSNPXGPQE-WOJBJXKFSA-N 466.652 2.032 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2(OCC)CCCC2)CC1 1740839759 OEPYCTIHXOGCRW-LJQANCHMSA-N 467.636 2.363 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(C)CCCO1 1740934741 PITHFMNWMKNGNC-XUZZJYLKSA-N 489.642 2.415 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1740952884 QAWWZTLTPYVLKF-UXHICEINSA-N 451.575 2.163 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@]2(CCOC2)C1 1740985143 CJVMEPLZNMDQQV-QFIPXVFZSA-N 494.017 2.079 30 10 JEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 1741002380 HYPLNVFDNHPDOO-GVDBMIGSSA-N 485.676 2.449 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCN1CCOC(C)(C)C1 1748638751 VOLRHAJNGRHTBL-QGZVFWFLSA-N 458.994 2.430 30 10 JEEE C#CCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1748702759 CHFORFBUAUNIFK-HXUWFJFHSA-N 452.515 2.484 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1CCC(=O)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1748810112 SDJRIROMMYMVPG-HXUWFJFHSA-N 469.611 2.283 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCN1CCCCC1=O 1748882396 QKUWXXHCAPCVRC-UHFFFAOYSA-N 496.637 2.061 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCCN(C)C2CCCCC2)CC1 1748978888 RTNZPSPHIZBTGO-VWLOTQADSA-N 458.651 2.340 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(N(C)C)nc2)CC1 1749006268 LNICDHSFOAWANV-UHFFFAOYSA-N 478.988 2.469 30 10 JEEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1749043929 LXFKBOSPUZCLDN-UHFFFAOYSA-N 461.599 2.099 30 10 JEEE C=C(Br)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H](CNC(C)=O)C1 1749090544 PTPXCJDNIFTWKU-MRXNPFEDSA-N 465.308 2.103 30 10 JEEE C=C(C)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1749184147 IRAVTANPJGNQNV-GOSISDBHSA-N 462.572 2.322 30 10 JEEE C=C(C)Cn1c(COc2ccccc2OC)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1749204837 UCUMTUCTHLVESB-FQEVSTJZSA-N 454.531 2.208 30 10 JEEE C=CCCCn1c(C2CC2)nnc1N1C[C@@H]2[C@H](C1)[C@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1749424211 DSCJOAKDFMSLTP-BRWVUGGUSA-N 451.593 2.248 30 10 JEEE C=CCCOCCn1c(-c2ccccc2OC)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1749452086 NMBZRSNTLUZCLE-DEOSSOPVSA-N 468.558 2.361 30 10 JEEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@H]([C@@H]3CCOC3)C2)cc1 1749683458 UFPHASQVZHYQFG-YSIASYRMSA-N 475.615 2.364 30 10 JEEE C=CCOc1ccccc1Cn1c(N2CC(=O)N(C)[C@H](C)C2)nnc1[C@]1(OCC)CCOC1 1749689881 OCYBZOMIZKJWAD-KOSHJBKYSA-N 455.559 2.210 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cc(OC)nc3ccccc23)C1 1749698288 SPGCWOSTHNFTAL-FUHWJXTLSA-N 486.598 2.275 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCNC(=O)c2ccccc2F)C1 1749717910 QTIBEXIBRRDXCJ-LJQANCHMSA-N 467.549 2.490 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCN(c2ncc(F)cn2)CC1 1749729121 BLYSXFQTCYISSQ-UHFFFAOYSA-N 471.562 2.110 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1749737190 ZAYKGPCTJVJFSV-UHFFFAOYSA-N 495.584 2.202 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)CC1 1760256076 SDVXTTGOWOYHDF-SFTDATJTSA-N 461.614 2.460 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCc2cccc(C)n2)CC1 1760260964 FINRQHLREMDISX-QFIPXVFZSA-N 495.628 2.288 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@](C)(O)CCC(C)C)CC1 1760272110 ZFKRYJJCLCYZRL-RUZDIDTESA-N 452.603 2.417 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2OCC)n1CCN1CCN(C(C)=O)CC1 1760298100 VWJRDVRWBSYPPG-AREMUKBSSA-N 480.613 2.412 30 10 JEEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCCN(c2nc(C)ns2)CC1 1760507681 XQUBUXQDNGWEAZ-UHFFFAOYSA-N 459.601 2.411 30 10 JEEE CC(C)N(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1761162007 DKWWEVDXNCQMDU-UHFFFAOYSA-N 459.620 2.019 30 10 JEEE Cc1ccc(NC(=O)c2nnc(N3CCO[C@H](C#N)C3)n2Cc2ncnn2C(C)(C)C)cc1C 1761808857 GSZNRVMUBPGADL-GOSISDBHSA-N 463.546 2.271 30 10 JEEE C[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCN2S(C)(=O)=O)[C@H]1C 1763005952 HCDKKXGPEYZJJR-JENIJYKNSA-N 458.588 2.387 30 10 JEEE CCN1CCN([C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCCC[C@@H](S(C)(=O)=O)C2)CC1 1765496875 CGWDOUQIGMGWLE-NFBKMPQASA-N 499.685 2.246 30 10 JEEE N#C[C@H]1CN(c2nnc(-c3ccc(Br)cc3Cl)n2CC(=O)NCC(F)F)CCO1 1770746592 HPEZECNDPLYPTR-NSHDSACASA-N 489.708 2.471 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@H]2c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 1862697894 VAUPTOCIWIGLIC-NRFANRHFSA-N 497.460 2.089 30 10 JEEE C[C@H](NC(=O)C[C@H](c1cccc(Br)c1)c1nn[nH]n1)C(=O)Nc1cccc(C#N)c1 1867246520 GHAVWMMCUNCZBW-YVEFUNNKSA-N 468.315 2.499 30 10 JEEE CCOC(=O)C1CCN(C(=O)[C@H](C)NC(=O)C2CCN([C@@H](C#N)c3cccs3)CC2)CC1 1868782883 MKXXLCRKAZTMCS-LPHOPBHVSA-N 460.600 2.331 30 10 JEEE CC(C)[C@@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc(N2CCN(C)CC2)cc1 1869928527 NYATZVBLWNTHSC-OAQYLSRUSA-N 455.584 2.140 30 10 JEEE CN1CCN(CC#CCOC2CCN(C(=O)c3cnc(Cl)c(Br)c3)CC2)CC1 1891049372 CHRMQXWIYGIMDD-UHFFFAOYSA-N 469.811 2.370 30 10 JEEE CC(C)([C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)S(=O)(=O)CC#CCO 1990653013 IGYWDYVLMFNSBQ-NRFANRHFSA-N 471.531 2.167 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1CO 2060127885 NQIOJQFTJKLDQY-BRWVUGGUSA-N 454.568 2.308 30 10 JEEE CC1(C)OB(c2ccc(S(=O)(=O)NCCNC(=O)OCc3ccccc3)cc2F)OC1(C)C 2247875969 GTQVPWIFZYGXLR-UHFFFAOYSA-N 478.351 2.330 30 10 JEEE C[C@@H](CN(C)C(=O)OC(C)(C)C)NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2255799089 BRYZEXLANJGQCZ-ZDUSSCGKSA-N 475.442 2.117 30 10 JEEE C[C@@H](C[S@](C)(=O)=NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1)NC(=O)OC(C)(C)C 2255863404 NPVMCSZFZFXEDG-FYKVGYICSA-N 455.386 2.465 30 10 JEEE CC(C)(C)OC(=O)N1CC([C@H](F)C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C1 2256624020 TZAUPBNZCOGAPA-HNNXBMFYSA-N 455.361 2.264 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)sc1CNC(=O)[C@H](CO)CNC(=O)OC(C)(C)C 2256674023 HHGYKAPMMYVSOW-AWEZNQCLSA-N 454.398 2.105 30 10 JEEE CC1(C)OB(c2csnc2C(=O)NC[C@]2(O)CCCN(Cc3ccccc3)C2)OC1(C)C 2267478174 UXLUJTLLTYTCRC-HSZRJFAPSA-N 457.405 2.199 30 10 JEEE Cc1sc(C(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)cc1B1OC(C)(C)C(C)(C)O1 2267549006 WNUWVWJWMOBASC-HOCLYGCPSA-N 466.409 2.313 30 10 JEEE C=C(CS(=O)(=O)N1CC[C@H]2COC[C@@H](C1)N2Cc1ccccc1)B1OC(C)(C)C(C)(C)O1 2267724072 DDWWVHROFCTFHY-LEWJYISDSA-N 462.421 2.479 30 10 JEEE COc1ccc(NC(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2268712870 XQSLVJMIZLAKPB-KRWDZBQOSA-N 450.341 2.209 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CC(C(=O)NCc2sccc2B2OC(C)(C)C(C)(C)O2)=C[C@@H]1O 2268715335 POIGCMSZKPALAU-CVEARBPZSA-N 464.393 2.248 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@@H](COc3cc(B4OC(C)(C)C(C)(C)O4)ccn3)O[C@H]2C1 2280704809 ZUXMZELBOJPVIE-BZSNNMDCSA-N 462.352 2.163 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@H]1CNC(=O)c1c(F)cccc1B1OC(C)(C)C(C)(C)O1 2281763944 VONLWNIRYSTZAW-OAHLLOKOSA-N 464.343 2.491 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1COC[C@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2281791529 ZCVJFRUBQWYIQF-KBXCAEBGSA-N 464.343 2.394 30 10 JEEE Cc1cnc(C(=O)N(C)CCOCCNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2281951143 GKLJESPADKUZEQ-UHFFFAOYSA-N 463.384 2.303 30 10 JEEE Cc1nn(C)c(C(=O)N(C)[C@@H](CNC(=O)OC(C)(C)C)C2CC2)c1B1OC(C)(C)C(C)(C)O1 2281990573 OWMWLZKGBMSTOA-INIZCTEOSA-N 462.400 2.403 30 10 JEEE CC1(C)OB(c2nscc2C(=O)NC[C@]23CN(Cc4ccccc4)C[C@H]2CCO3)OC1(C)C 2282006532 VTERNJDGZQCJOP-KOSHJBKYSA-N 469.416 2.463 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC[C@H](CCNC(=O)OC(C)(C)C)C1 2282042445 HEVZTKJJVMIGQM-MRXNPFEDSA-N 462.400 2.486 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C 2282052665 BOKNGDMVCDOAIZ-OAHLLOKOSA-N 480.440 2.032 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](NS(=O)(=O)Cc3ncsc3B3OC(C)(C)C(C)(C)O3)C[C@@H]21 2282493085 RNFQCLUSSMMPIT-YCPHGPKFSA-N 499.464 2.260 30 10 JEEE CC1(C)OB(c2ccccc2S(=O)(=O)NC[C@@H]2CCCN(C(=O)C(F)(F)F)C2)OC1(C)C 2282846316 IAEBULJDOXIFAW-AWEZNQCLSA-N 476.326 2.065 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCOC[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1O 2282989381 FCRWFWWYRKNMHF-SJORKVTESA-N 462.352 2.103 30 10 JEEE CC(C)(C)OC(=O)N1CC(CO)(NC(=O)c2cc(F)c(B3OC(C)(C)C(C)(C)O3)cc2Cl)C1 2282989977 MCSORZLRIWZPAQ-UHFFFAOYSA-N 484.761 2.490 30 10 JEEE C[C@H]1CN(C(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)CC2(CN(C(=O)OC(C)(C)C)C2)O1 2288574305 KDPYCIADHKZPFN-HNNXBMFYSA-N 462.352 2.429 30 10 JEEE Cn1nc(C(=O)N2CC(F)(F)C[C@@H]2CNC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2296412863 FIPBGPMQCAIZJL-CYBMUJFWSA-N 470.326 2.094 30 10 JEEE COc1ccc(C=Nn2c(SCCO)nnc2[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1O 2325924921 FOBJAENCZQBOFO-GOSISDBHSA-N 467.551 2.475 30 10 JEEE CC(=O)NCc1nnc(SCC(=O)Nc2ccccc2F)n1N=Cc1ccc(O)c(O)c1 2330721876 KZJFFAYZYIDYCU-UHFFFAOYSA-N 458.475 2.078 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C 2362350229 POVDCZYXBWUXCE-CVEARBPZSA-N 460.384 2.333 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H]3C[C@H](C2)C3NC(=O)OC(C)(C)C)n1C 2362493629 RWYTUBRFNSZOMX-XYPWUTKMSA-N 460.384 2.013 30 10 JEEE CCOc1ccccc1NC(=O)CSc1nnc(N/N=C/c2cccc(OC)c2O)n1N 21318942 QNQXMOMATXRVHO-SSDVNMTOSA-N 457.516 2.282 30 10 JEEE COc1cc(/C=N\Nc2nc3c(c(=O)[nH]c(=O)n3C)n2CC(C)C)cc(Br)c1O 48555419 UTQAEIZPZWDWKD-SCDVKCJHSA-N 465.308 2.002 30 10 JEEE COc1ccc(/C=N/Nc2nc(S[C@@H](C)C(=O)NC3CC3)n[nH]2)cc1OCn1cccn1 59817922 QUQISGFXZQYEQZ-PUFAJPFRSA-N 456.532 2.252 30 10 JEEE N#C[C@H]1C(=O)Nc2nc(N3CCC(C(N)=O)CC3)[nH]c(=O)c2[C@@H]1c1cccc(Oc2ccccc2)c1 72443814 PLVXLDRQJDUECP-WOJBJXKFSA-N 484.516 2.488 30 10 JEEE CCCCCCCCCCOC(=O)C[C@H]1C(=O)NCCN1C(=O)CCC(=O)OCCOC 100226701 LJUBXBNSHDAEIB-IBGZPJMESA-N 456.580 2.357 30 10 JEEE O=C1C(=O)N(CCN2CCOCC2)[C@H](c2ccccc2)/C1=C(\O)c1ccc2c(c1)OCCO2 103916884 SYRGHROFPKMAQY-HOGKFDNTSA-N 450.491 2.212 30 10 JEEE CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(F)c(C)c3)c(=O)n2Cc2ccccc2)CC1 517921503 NNAKVTFXYQGXAK-UHFFFAOYSA-N 490.604 2.073 30 10 JEEE COc1ccccc1N1C(=O)C(Sc2nc(C)cc(C)c2C#N)=C(N2CCN(CCO)CC2)C1=O 526695410 OMASEPDCENSNEI-UHFFFAOYSA-N 493.589 2.066 30 10 JEEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(NS(=O)(=O)/C=C\c3ccccc3)cc2)CC1 762222232 MHJFYHSNKFQGRP-PDGQHHTCSA-N 468.579 2.159 30 10 JEEE Cc1c(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cnn1CCO[C@@H]1CCCCO1 1139811032 BVWPUCRGVRYDCR-FCHUYYIVSA-N 451.527 2.137 30 10 JEEE C=CCc1cc(C(=O)N2CCOC[C@@]2(CO)CNC(=O)OC(C)(C)C)cc(OC)c1OC 1167024543 OFIMHMGCLYYDGL-QHCPKHFHSA-N 450.532 2.161 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCN2C[C@@H](C)C[C@H](C)C2)CC1 1286473468 LVSKDYKKSLAHAQ-VXKWHMMOSA-N 498.697 2.472 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2CC(C)(C)N2CCC(OC)CC2)CC1 1286479937 QSPGJGCJBJPHRU-UHFFFAOYSA-N 451.619 2.293 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2C[C@@](C)(O)c2ccco2)CC1 1286484233 KCUBWWDRGOWHRP-XMMPIXPASA-N 451.527 2.122 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(N(CC)CC)nc2)CC1 1286485280 IBNYOXJHEHNFBW-GMAHTHKFSA-N 467.618 2.047 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CCc2nccc(C(F)(F)F)n2)CC1 1286494362 MGZIBINHLKEPPF-UHFFFAOYSA-N 498.513 2.281 30 10 JEEE C=C(Cl)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(CCOCC)CC1 1286622387 GKTSIPCJGPVDPR-UHFFFAOYSA-N 483.038 2.106 30 10 JEEE C=C(Cl)Cn1c(-c2cccc(C)n2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1286626712 GUTAWRLPVQFHFH-UHFFFAOYSA-N 471.993 2.341 30 10 JEEE C=CCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1286667371 QSGZISXALKJFNM-QGZVFWFLSA-N 452.625 2.023 30 10 JEEE C=CCNC(=O)Cn1c(N2CCN(c3ccccc3F)C[C@@H]2C)nnc1[C@@]1(OCC)CCOC1 1286793621 ICKLPCLEJYPSIC-MHECFPHRSA-N 472.565 2.087 30 10 JEEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1286824251 WBABVHXDYYQCNN-UHFFFAOYSA-N 462.539 2.380 30 10 JEEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1286829497 DLMLXHGBVVIVTE-PMPSAXMXSA-N 450.609 2.498 30 10 JEEE CC(C)(C)OC(=O)N1CCC(c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H]2COCCO2)CC1 1287049870 AOYBMEPMFFYWBU-VGSWGCGISA-N 464.542 2.250 30 10 JEEE CCN1CCCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1296094793 FUJWWFCPLXAYNR-FPOVZHCZSA-N 472.615 2.226 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2cccc(C(F)(F)F)n2)CC1 1300719712 MZIBNNQYAJJKFS-UHFFFAOYSA-N 470.459 2.163 30 10 JEEE C#CCSCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(CC(=O)N(C)C)CC1 1300741470 XRYYQKXUHXHMCK-GOSISDBHSA-N 474.606 2.134 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@]1(O)CCN(C)C1 1300818722 CCFONAZLEJEWPT-GRJZNYKUSA-N 458.607 2.108 30 10 JEEE C=C(Br)Cn1c(N2CC[C@@H](NC(=O)NC3CC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1300861189 BKFYAKALXLNNCU-UZLBHIALSA-N 483.411 2.268 30 10 JEEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1301135447 KTYVBFCEKDSIDU-IRLDBZIGSA-N 485.677 2.495 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1301482786 BXHQZCQSUGATMG-UHFFFAOYSA-N 480.491 2.151 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc(Cc2cccnc2)n1CC(=O)N1CCN(c2ccccc2)CC1 1301973195 CCAPXOVLCSKRLW-FQEVSTJZSA-N 458.570 2.209 30 10 JEEE C[C@@]1(C#N)CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1303939543 HPBYDAPKKTUNHT-XXBNENTESA-N 483.598 2.140 30 10 JEEE Cc1c(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(CC(C)C)C(=O)C2)cnn1C 1304122001 CNGOCQMGVBGMAG-UHFFFAOYSA-N 462.558 2.124 30 10 JEEE C[C@@H]1C[C@@H](CCn2c(-c3ccc(C#N)cc3)nnc2N2CCN(S(C)(=O)=O)CC2)CCO1 1304930127 HVYPXMRIDYZEAE-MSOLQXFVSA-N 458.588 2.104 30 10 JEEE C#CCCCn1c(-c2cc(F)ccc2Br)nnc1N1CCO[C@H](C(=O)NC)C1 1358922236 XUOJGDRFWWLSRY-INIZCTEOSA-N 450.312 2.211 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cscc2C)n1 1359028596 XMYAINCYVFKZBC-SFHVURJKSA-N 488.639 2.081 30 10 JEEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1359053501 PFZZPDZGABLOKU-UHFFFAOYSA-N 472.640 2.433 30 10 JEEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1359135773 NXLNADQGNJELLC-UHFFFAOYSA-N 470.622 2.459 30 10 JEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(=O)Cc2cccc(F)c2)CC1 1359208054 DTYDILXZIJDTPW-SFHVURJKSA-N 492.621 2.275 30 10 JEEE C=CCCOCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1359224203 JMTWHRUXCNZDKT-QGZVFWFLSA-N 456.547 2.111 30 10 JEEE C=CCn1c(-c2ccccc2OC)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1359286012 LQXJVCJCWYBPRU-UHFFFAOYSA-N 452.559 2.080 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1359297148 HFEQAUDFSPTGBT-BGYRXZFFSA-N 497.619 2.013 30 10 JEEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N(C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 1359303158 FXNWQJRMSXPEEK-UNMCSNQZSA-N 479.629 2.192 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1359309902 HCGPXSCFMIKTJE-AZUAARDMSA-N 452.559 2.147 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1359329983 BKFMLOJNRFCUCM-QGZVFWFLSA-N 462.620 2.016 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCN(CC)[C@@H](C)C1 1359330914 GXLVPONASZGWKY-IBGZPJMESA-N 469.615 2.262 30 10 JEEE C#CCN(C(=O)c1ccc(S(N)(=O)=O)nc1)[C@@H]1CCOc2ccc(Br)cc21 1444125721 UQPYZWRIZUMCRY-OAHLLOKOSA-N 450.314 2.091 30 10 JEEE CCN1C[C@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CC(=O)N(CCOC)C2)C[C@H]1C 1502249185 IAKCSOWJOYSLQF-DYXWJJEUSA-N 465.602 2.231 30 10 JEEE Cn1nccc1C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC(F)F)CC1 1503688032 FCMVIUQBWUKIEN-UHFFFAOYSA-N 454.485 2.316 30 10 JEEE CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCc2sccc2C)CCO1 1503781371 HGFGVVCMYVHZQG-LJQANCHMSA-N 466.567 2.293 30 10 JEEE COCC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2sc(C)nc2C)CC1 1504536658 GKEHJWFFULWCKT-UHFFFAOYSA-N 495.609 2.340 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC1(N2CCOCC2)CC1 1507520134 ASVGRHVDENBDKG-QGZVFWFLSA-N 455.559 2.294 30 10 JEEE C#C[C@H](C)N(C)c1nnc(Cc2csc(C)n2)n1CC(=O)N1CCN(c2ccccc2)CC1 1507537280 KUMUIHZWEJTPQH-SFHVURJKSA-N 463.611 2.441 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@]1(C)CCCO1)[C@H]1CCS(=O)(=O)C1 1507640824 WPORUVGBLFCXNS-CVDCTZTESA-N 458.584 2.361 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC[C@H]1COCCO1 1507650329 IAUYHYKKSOQUST-UXHICEINSA-N 457.575 2.271 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCNC(=O)c1cccs1 1507663272 VNXGVPPRFLUJSV-UHFFFAOYSA-N 481.603 2.303 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCOC(C)(C)C)CC1 1507735331 SHYAAGXGDCUPHJ-UHFFFAOYSA-N 467.570 2.497 30 10 JEEE C#CCSCCn1c(-c2ccc3ccccc3n2)nnc1N1CCN(CCOC)C(=O)C1 1507749088 VZSPIASCXAYCPN-UHFFFAOYSA-N 450.568 2.155 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCc2ccc(OC)cc2)CC1 1507885061 QPGCRGCGXFLOSG-OAQYLSRUSA-N 475.615 2.409 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCOC1 1508009204 WILOFMUOMFFIHY-NQIIRXRSSA-N 493.605 2.369 30 10 JEEE COCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1519114944 GGPFMRCEHIFLOF-UHFFFAOYSA-N 475.601 2.128 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CCc1ccc(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1539224593 ILMRQSSWYKUIDS-NRFANRHFSA-N 495.605 2.151 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H](c2cccc(F)c2)N(C)C)CC1 1539427985 LEVSFPZEFXXWDT-JOCHJYFZSA-N 469.609 2.394 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2C[C@H]2CCSC2(C)C)CC1 1539469773 VBZOJTPKMFBBFE-PKOBYXMFSA-N 463.648 2.500 30 10 JEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC2(CC1)Cc1ccccc1C2=O 1539498870 XOXLHGWPGLUBMR-QGZVFWFLSA-N 487.651 2.280 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(C)cc1C 1539557274 PFBCPPFAUGOGHG-XUZZJYLKSA-N 471.627 2.463 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@]1(OC)CCOC1 1539656531 WNXYYFHVATVYAW-QFIPXVFZSA-N 463.604 2.403 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2c(c1)OCCCO2 1539669435 QNBGZNSEBOOTIU-OAQYLSRUSA-N 491.614 2.223 30 10 JEEE C=C(C)COCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)CC(=O)NC(C)(C)C 1539743199 YJMIYKKRQYPORI-UHFFFAOYSA-N 477.635 2.182 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 1539751593 PXUKMBINKZJRNQ-IEBWSBKVSA-N 496.655 2.374 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@H](C(=O)NCCC)C1 1540861923 LPJOTXNDYJOHAV-IBGZPJMESA-N 481.601 2.192 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(C)cc3)n2CCC(=O)N2CCOCC2)C1 1540896531 NVCTWSMWZZRGTP-NRFANRHFSA-N 455.559 2.196 30 10 JEEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 1540898829 WGQKZVNNHPWCRI-HNNXBMFYSA-N 452.968 2.091 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1Cc1c(F)cccc1N1CCCC1 1541907812 FMDWAEAWZWHYSU-HOTGVXAUSA-N 463.583 2.414 30 10 JEEE C[C@@]1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(CC#N)CC2)CCCS1 1542017938 CALCAPAOYRNBBZ-XLIONFOSSA-N 468.649 2.027 30 10 JEEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cccnc1-n1cc(Br)cn1 1544571255 DENLIFVQLUJOHE-ZDUSSCGKSA-N 453.304 2.042 30 10 JEEE CCOC1CC(O)(Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)C1 1548039434 HTVQJYDEJWYSDA-MNQWZGEISA-N 461.588 2.005 30 10 JEEE COCCC(=O)N1CCC([C@@H]2CN(c3ccc(C#N)c(C(F)(F)F)c3)C[C@H]2C(N)=O)CC1 1548397153 YZMPBOXVKXFBTE-ZWKOTPCHSA-N 452.477 2.390 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2CC(=O)NCc2ccco2)c1 1587696803 AZBSNSXAKMEOMK-UHFFFAOYSA-N 483.532 2.230 30 10 JEEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 1587879462 VKVMDKALVNFXEC-NRFANRHFSA-N 473.647 2.384 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC(CC)(CC)SC)[C@@H]1CCS(=O)(=O)C1 1588050323 RIANASOLMWZUKT-QGZVFWFLSA-N 450.634 2.227 30 10 JEEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1CC1(O)CCC1)[C@H]1CCS(=O)(=O)C1 1588069515 PQTUKPWZCPXEHD-IBGZPJMESA-N 458.584 2.016 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CCc1cccc(C(=O)NC)c1 1588218896 HIEMUKJROVPNNG-UHFFFAOYSA-N 458.522 2.071 30 10 JEEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1588673014 KLZMVBMKBWMUBL-LJQANCHMSA-N 474.606 2.134 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2CCn2cc(Br)cn2)CC1 1588856747 BDZISDVHOLBSPI-UHFFFAOYSA-N 460.405 2.345 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@H]2CCOC[C@H]2OC)CC1 1588871526 GMFIUZRQKUXCGQ-FYYLOGMGSA-N 453.587 2.281 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2cccnc2OCC(F)F)CC1 1588929479 AQPHLFGFNDEOQV-LJQANCHMSA-N 488.539 2.225 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2CCCc2cnn(C)c2)CC1 1588961555 DFJMOSGKOSOEPL-UHFFFAOYSA-N 479.560 2.328 30 10 JEEE C#CCSCCn1c(N2C[C@@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)nnc1[C@]1(OCC)CCOC1 1589126284 ZRYBSGZUPAGDKX-RTFZILSDSA-N 477.631 2.400 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2cccc(C)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1589569287 OLKRPWROFGACKK-VCOUNFBDSA-N 455.559 2.098 30 10 JEEE C=CCCOCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(CC(=O)N(C)C)CC1 1594802510 ATYHCRSOZBBDBS-UHFFFAOYSA-N 465.602 2.240 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1595576933 CISVHDXPZRBIHR-LJQANCHMSA-N 489.642 2.470 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCN(C(C)C)C2)C1 1595722990 PQGLIOQINUJFRD-HSALFYBXSA-N 451.637 2.082 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)c1cc(F)ccc1F 1595796740 BXCBDZWLPMVLOB-HUUCEWRRSA-N 488.582 2.257 30 10 JEEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C(F)(F)F)C1 1595884646 PKXWLNIEVULMKV-GJZGRUSLSA-N 483.582 2.309 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1Cc1ccc(OCC2CC2)nc1 1611683849 AODJOTZOQKJEIS-INIZCTEOSA-N 473.603 2.250 30 10 JEEE CCOc1ccc(O[C@H](C)c2nnc(N3CCO[C@H](C#N)C3)n2CCC(=O)NC(C)C)cc1 1616416280 FILIBZUWNGGSLF-YLJYHZDGSA-N 456.547 2.460 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)s1 1624459684 QXCZPCCVEITLFI-MRXNPFEDSA-N 453.630 2.252 30 10 JEEE C#CCN(CC(=O)NCCc1ccc(S(=O)(=O)N(CC)CC)s1)C(=O)OC(C)(C)C 1627393577 YYKVBGGWRIIBHU-UHFFFAOYSA-N 457.618 2.308 30 10 JEEE C=CCN(CCc1ccco1)C(=O)NCC[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1687572794 YQCXTJVNJPFUMV-GOSISDBHSA-N 455.577 2.444 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CC2(C(=O)N(C)C)CCCC2)c1 1689868999 XZVYOWQVJACADU-UHFFFAOYSA-N 493.612 2.121 30 10 JEEE C#CCN(c1nnc(Cn2ccc3ccccc32)n1CC(C)(C)OC)[C@@H]1CCS(=O)(=O)C1 1689993668 JFUPAQOYKIJTJT-LJQANCHMSA-N 455.584 2.333 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1CCN1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1689994098 QZBUMKYSCGRECA-QHCPKHFHSA-N 469.655 2.422 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCCc2ccnc(C(C)(C)C)n2)CC1 1690146400 MWCPJXSSZGEBLT-FQEVSTJZSA-N 479.629 2.468 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@@](C)(O)c2ccsc2)CC1 1690148394 FTQARYIAGRHIAM-XMMPIXPASA-N 464.595 2.199 30 10 JEEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)COc2ccc(F)cc2)CC1 1690174932 MJXYWGMFEISFMY-SFHVURJKSA-N 473.574 2.015 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](c1c(F)cccc1F)N(C)C 1690189773 BLCLDNOUJHABJD-YBOAYWMSSA-N 480.585 2.462 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1CCNC(=O)Cc1cccc(F)c1 1690216328 NLKRGQWMYNHZCS-KIVTUJJHSA-N 469.561 2.492 30 10 JEEE C=CCN(C)c1nnc(COc2ccc(Br)cc2)n1CCN1CCN(C(C)=O)CC1 1690533379 GOHHACZIHYEZKX-UHFFFAOYSA-N 477.407 2.406 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCc2cc(OCC)c(OCC)cc2C1 1690668992 PQHBGGCPRSUFDP-UHFFFAOYSA-N 465.558 2.341 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1690714358 KUCHTXNDWDZDLL-PWRODBHTSA-N 487.626 2.467 30 10 JEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N(C)Cc1c(F)cccc1Cl 1690729542 PKPMPYPHLVLUFD-UHFFFAOYSA-N 469.970 2.430 30 10 JEEE CC(C)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC(F)(F)F)CCO1 1692013773 DIBKNVSHTZFWTJ-KRWDZBQOSA-N 466.464 2.268 30 10 JEEE CC(C)N(C)CCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@](F)(C#N)C1 1692467927 AYSUYLICTRHAFV-HSZRJFAPSA-N 452.538 2.364 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cccnc1OCC(F)(F)F 1694352476 BZVQQXVNNGTSMN-MRXNPFEDSA-N 481.479 2.310 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@H]2CCCCN2CC)c1 1705503778 DRGGQCAAZCCMSW-OAQYLSRUSA-N 465.602 2.347 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@]1(N(C)C)CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1705566865 REYCQCGZYQSPJT-YYDVJCTNSA-N 458.632 2.410 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1CCS(=O)(=O)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1705570408 MXUCOYGCYKGTSE-HXUWFJFHSA-N 492.667 2.108 30 10 JEEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(NC(=O)c2ccco2)cc1 1705604630 PZJQJLDAAKNLPZ-INIZCTEOSA-N 470.555 2.241 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCCN2CCCCC2)CC1 1705645672 ZVQWELKAAPMLBD-AREMUKBSSA-N 486.661 2.161 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](SC)C(C)(C)C)CC1 1705651152 MAIXNNPHOHIOTK-SFHVURJKSA-N 460.648 2.144 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)Oc1ccccc1OC 1705666681 GVXPEPFNRDABAM-DRSNIGMVSA-N 461.588 2.357 30 10 JEEE C=C(C)Cn1c(COc2ccc(OC)cc2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1705727453 GBNWVQHAWRUQIB-UHFFFAOYSA-N 463.542 2.262 30 10 JEEE C=C(C)COCCn1c(COc2ccc(Br)cc2)nnc1N1CCNC(=O)C1 1705739544 KHBCFFIJNUTOCQ-UHFFFAOYSA-N 450.337 2.149 30 10 JEEE C=CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1705808798 VPUBAGMQQIRSRG-GOSISDBHSA-N 452.567 2.028 30 10 JEEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCN(C(=O)c2ccccc2OCC)CC1 1705901490 NCSAVNSPDFPPST-UHFFFAOYSA-N 452.559 2.209 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 1705936335 ORXLKLPDDISKKP-HXUWFJFHSA-N 479.647 2.144 30 10 JEEE CC(=O)NC1CCC(N(C)c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCSC2)CC1 1706017400 HIWOWRGBJYZXAJ-ZSHKSDETSA-N 484.626 2.480 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCOc1ncccc1F 1722393477 CPDQWEGSIKKVCZ-UHFFFAOYSA-N 481.557 2.314 30 10 JEEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 1722462125 YISVVEKOKXCIGD-UHFFFAOYSA-N 495.697 2.447 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccc(F)cc2C1 1722553898 AWXXTWCWDUEXNL-KRWDZBQOSA-N 455.943 2.065 30 10 JEEE C=CCC(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1722590005 UAJVKDSXTPFDSI-OAHLLOKOSA-N 451.618 2.495 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCC(=O)N2)n1CC1CCS(=O)(=O)CC1 1722660331 SMRGDSWRTMTRMX-IBGZPJMESA-N 461.563 2.386 30 10 JEEE C=CCOc1ccc(Cn2c(CN3CCCC3=O)nnc2N2C[C@@H](C)O[C@@H](COC)C2)cc1 1722704343 GUEOSGBWIOPWCE-WIYYLYMNSA-N 455.559 2.254 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1722704375 RVZFVVUYXZLYFP-IBGZPJMESA-N 483.598 2.193 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(Cc3csc(C)n3)n2CCN2CCN(C)C(C)(C)C2)C1 1722720077 GGKPAKBQQNYCEH-FQEVSTJZSA-N 459.664 2.441 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1722727097 LPHPGMBOCWDJEC-MRXNPFEDSA-N 493.552 2.015 30 10 JEEE CC(C)(Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@@H](C#N)C1)N1CCOCC1 1723026913 ADDIUZPOCQBCRT-SFHVURJKSA-N 462.501 2.386 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCOc1ccc(F)c(F)c1 1723941357 GFFPLFKVKPLAIP-XOBRGWDASA-N 468.530 2.376 30 10 JEEE CNC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)OC(C)(C)C)C1 1729666671 IDQAOMGUKVGFCJ-GOSISDBHSA-N 483.573 2.216 30 10 JEEE CNC(=O)CCCN(C)c1nnc(-c2ccc(C#N)cc2)n1CCCN1C[C@H](C)O[C@H](C)C1 1729698120 BWOCVFUDCGJNQX-KDURUIRLSA-N 453.591 2.278 30 10 JEEE COCC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC[C@@H](C)C2)CC1 1730420367 FGKSACZMOODFTN-UYAOXDASSA-N 452.559 2.460 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCOC[C@H]1CCCO1 1740547237 QVPMWGGNDCWBNX-QZTJIDSGSA-N 450.543 2.236 30 10 JEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](Oc2ccccc2)C1 1740574853 OGFKXMSJIWMMSL-FCHUYYIVSA-N 487.626 2.462 30 10 JEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 1740581438 XXUYUFRGDXEJED-INIZCTEOSA-N 468.624 2.043 30 10 JEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCNC(=O)c1ccc(C)cc1 1740602093 PUKVOKWPWHPPIF-UHFFFAOYSA-N 479.610 2.354 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1C[C@H]1CN(Cc2ccccc2)CCO1)[C@H]1CCS(=O)(=O)C1 1740617370 QBWFOPIKVPVHEN-AKIFATBCSA-N 485.654 2.319 30 10 JEEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 1740619741 RDRXJDNODHUMHY-AZUAARDMSA-N 488.635 2.332 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCc1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1740625717 HSQNVEVWQGCMQM-VQTJNVASSA-N 458.584 2.050 30 10 JEEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C 1740632606 MMRJRIWADPIIMD-YADARESESA-N 457.575 2.403 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCCS(=O)(=O)C1 1740675942 LNKFPNOJMFIJDH-IBGZPJMESA-N 473.574 2.118 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccccc2OC(F)(F)F)CC1 1740688295 CWRIURPBXYIMOD-UHFFFAOYSA-N 450.465 2.118 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2Cc2ccc(OCCC)nc2)CC1 1740706839 FRXMYMOAYWOSKU-UHFFFAOYSA-N 473.581 2.462 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCCS(C)(=O)=O 1740734253 WPLFBYAXBFONFW-RUZDIDTESA-N 484.670 2.070 30 10 JEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(CN3CCCC3=O)cc2)CC1 1740832321 BZEANMKJJMVICG-SFHVURJKSA-N 486.642 2.461 30 10 JEEE C=CCOc1ccc(Cn2c(-c3noc4c3COCC4)nnc2N(C)CCC(=O)NC)cc1 1740966455 MEXMTHDPYVIFRU-UHFFFAOYSA-N 452.515 2.191 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(C(=O)OCC)CC1 1740986959 LTIVQJCWUDXBSB-KRWDZBQOSA-N 495.577 2.437 30 10 JEEE Cc1nnc([C@@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCNC(=O)C(C)(C)C)CCO2)o1 1742728240 DMJQFIVXLGUJMS-SFHVURJKSA-N 464.530 2.248 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCN(CC)CCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1748811445 HAMYOIFVNHPPPS-MRXNPFEDSA-N 472.537 2.174 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1CCN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1748821357 QCHSJOGABZJCMA-QFIPXVFZSA-N 455.628 2.176 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1(O)CCCCC1 1748886236 BLUITDBACYZOFI-UHFFFAOYSA-N 454.600 2.396 30 10 JEEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2CCN2CCOC(C)(C)C2)CC1 1748992908 JZTVCNNUSURDSQ-UHFFFAOYSA-N 458.557 2.013 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2Cc2ccc3c(n2)CCCC3)CC1 1749005275 UMFGVYGTSMYURR-IBGZPJMESA-N 480.613 2.290 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 1749097546 CNHWPABJBONPTB-INIZCTEOSA-N 477.338 2.126 30 10 JEEE C=C(Cl)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1749277609 ICDOOTQXVHQQAR-CVEARBPZSA-N 481.022 2.390 30 10 JEEE C=C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCc2ccc(S(N)(=O)=O)cc2)CC1 1749292642 TUEHIJBAXHXZCU-HSZRJFAPSA-N 475.615 2.365 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@H]1CCCS(=O)(=O)C1 1749599369 CVVSVQNEHQOVFH-FXAWDEMLSA-N 462.572 2.254 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC[C@@H]1C 1749738359 KNHPQWYIPZGFPD-NRFANRHFSA-N 472.659 2.232 30 10 JEEE C#CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1cnn(CCOC)c1 1760172124 MWYROXLZZUOCJC-LJQANCHMSA-N 457.579 2.353 30 10 JEEE C#CCN(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1760178775 ZWSHJFXKRMPLEC-LJQANCHMSA-N 457.538 2.467 30 10 JEEE C#CCN(c1nnc(COCC)n1CC1CCN(Cc2ccccc2)CC1)[C@@H]1CCS(=O)(=O)C1 1760192406 IOIZHQQZAQUKKJ-HSZRJFAPSA-N 485.654 2.354 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1CCCS(=O)(=O)C1 1760209095 VAALLGXDBBBWKQ-IBGZPJMESA-N 488.013 2.149 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H](C(CC)CC)N2CCOCC2)CC1 1760259709 PDSKEQPDFAYFKN-XZOQPEGZSA-N 458.651 2.064 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2Cc2ccc(OC)nc2OC)CC1 1760268005 JTKDIFGSQPSCNN-UHFFFAOYSA-N 490.564 2.380 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](OCC)C1 1760412646 PBVZHOFFTTXOJQ-QZTJIDSGSA-N 455.625 2.219 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(CS(C)(=O)=O)CC1 1760485221 WPBJKEQXYMHYOA-SFHVURJKSA-N 496.630 2.337 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCO[C@H](COC)C1 1760517287 INBCPUJSDQWQQB-AWEZNQCLSA-N 468.327 2.001 30 10 JEEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H](C)[C@@H](C)C1 1760557775 WCYHAONCXJJDNV-HOTGVXAUSA-N 451.618 2.353 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCO[C@@](C)(c3ccccc3)C2)nnc1[C@@]1(OCC)CCOC1 1760558192 IQZWGWLWIKQODV-DNQXCXABSA-N 490.626 2.283 30 10 JEEE CCCN(CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1)C(=O)OC(C)(C)C 1764362873 DJXNTWIDKDSERA-KKSFZXQISA-N 484.598 2.269 30 10 JEEE CN(c1nnc(COc2ccc(C#N)cc2)n1CC1(C)CCOCC1)[C@H]1CCS(=O)(=O)C1 1766993869 DMSYHROKNSWBBX-SFHVURJKSA-N 459.572 2.169 30 10 JEEE COC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N2CCCCC2)CC1 1769499633 GKOVHBLEKCRTBV-UHFFFAOYSA-N 481.557 2.020 30 10 JEEE COc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1770518167 FRWVMGPMLUMYRL-IAGOWNOFSA-N 480.491 2.479 30 10 JEEE COc1ccc(C=NN=C2NC(=O)[C@@H](CC(=O)Nc3ccc(F)cc3)S2)c(C(=O)O)c1OC 1772727566 RLLSFSLWWAFAET-OAHLLOKOSA-N 474.470 2.491 30 10 JEEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@H]2c2cc(OC)c(OC)c(OC)c2)c1 1862709520 YATSJNQCQLZUEO-NRFANRHFSA-N 484.505 2.435 30 10 JEEE COc1cc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2C[C@@H](C)O)cc(OC)c1O 1862761327 IQOATQJNDKIFDW-ADLMAVQZSA-N 458.423 2.277 30 10 JEEE Cc1c([N+](=O)[O-])cc(C(=O)Nc2c(C#N)nnn2Cc2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] 1870112910 DTSOWOUOSUAMFH-UHFFFAOYSA-N 452.343 2.483 30 10 JEEE COCCc1nnc(SCC(=O)NCc2ccco2)n1/N=C/c1ccc2c(c1)OCCO2 1874471045 KPWVVCKQWBWKCA-FSJBWODESA-N 457.512 2.122 30 10 JEEE CNc1ncc(Br)cc1S(=O)(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 1914863362 QNDGPJDYBYXJAM-INIZCTEOSA-N 450.362 2.284 30 10 JEEE C=C(Br)CS(=O)(=O)N1CCN([C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 2118088065 QLIJGXHCUOLBNL-HNNXBMFYSA-N 452.415 2.242 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CC[S@@](=O)(=NC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C1 2255637612 FDGCOPJCUAUPGZ-ICNDJQDOSA-N 471.410 2.348 30 10 JEEE CO[C@@H]1CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C[C@H]1NC(=O)OC(C)(C)C 2255706495 JWIGRGBAOHKPOK-ZIAGYGMSSA-N 452.382 2.411 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H](CO)NC(=O)c1cc(Cl)cc(B2OC(C)(C)C(C)(C)O2)c1 2255828183 CCDNHHLZDLTBSL-INIZCTEOSA-N 454.760 2.255 30 10 JEEE Cc1nn(C)c(C(=O)N(C)[C@H](C)CCNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267523226 YMADDKGHXPEARX-CQSZACIVSA-N 450.389 2.403 30 10 JEEE CC1(C)OB(c2csc(S(=O)(=O)NC[C@@H]3CCCCN3C(=O)C(F)(F)F)c2)OC1(C)C 2267716842 UAMFMCJJFSGWPA-ZDUSSCGKSA-N 482.355 2.269 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](CC(=O)NCc2cc(B3OC(C)(C)C(C)(C)O3)cs2)[C@@H](O)C1 2268629418 WGFNGWRXJMWCOH-YOEHRIQHSA-N 466.409 2.281 30 10 JEEE CN(C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)C1CCN(C(=O)OC(C)(C)C)CC1 2268678826 AIZYPQHSZBHXDN-UHFFFAOYSA-N 467.401 2.122 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](CNC(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1O 2281935021 URDSWKDGNPYWCP-LZQZEXGQSA-N 460.380 2.380 30 10 JEEE Cn1nc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC23CCC3)cc1B1OC(C)(C)C(C)(C)O1 2281975207 JOEYQBIFEQTHMK-INIZCTEOSA-N 460.384 2.239 30 10 JEEE C[C@H]1CN(C(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C[C@@H](C)N(C(=O)OC(C)(C)C)C1 2282035007 PGNLESINGDHAOK-JKSUJKDBSA-N 462.400 2.437 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C 2282050732 CYUKHLJXCGVDIG-ZBFHGGJFSA-N 462.400 2.389 30 10 JEEE CC(C)(C)OC(=O)NCC1CC2(CCN2C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2282057246 DSMYUDHLUNHILC-UHFFFAOYSA-N 458.368 2.295 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)n1 2282064356 YRXGVPFSZTUJOQ-HOTGVXAUSA-N 460.384 2.045 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H]([S@@](C)(=O)=NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2282189379 JMJULSQRLZDVQC-RPLXOIEJSA-N 480.396 2.023 30 10 JEEE C[C@H]1CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CC[C@H]1NC(=O)C(F)(F)F 2282343881 IDKIQJVFHQHDNL-XJKSGUPXSA-N 476.326 2.063 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](OCCNC(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)C1 2282520344 QGLHYBTWCDXZIV-MRXNPFEDSA-N 461.368 2.137 30 10 JEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CCN(C)C[C@@H]1CNC(=O)OC(C)(C)C 2282558600 CZERGHACQOJLNS-INIZCTEOSA-N 463.384 2.168 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CCCN(C(=O)c3ncc(B4OC(C)(C)C(C)(C)O4)cn3)[C@H]2C1 2282623833 HTPWBPWTWGYDPH-RDJZCZTQSA-N 458.368 2.247 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2CC(NC(=O)c3ncc(B4OC(C)(C)C(C)(C)O4)cn3)C[C@@H]2C1 2282627689 JKAFVKZUQRBCCU-HUUCEWRRSA-N 458.368 2.151 30 10 JEEE CN(C)CCCN(CCNC(=O)OC(C)(C)C)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)o1 2282631748 AUUOFRBJGMBLFU-UHFFFAOYSA-N 465.400 2.497 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@H](NC(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)cc3)[C@H]2C1 2282665905 DLMWFLAFNDXHDE-QYZOEREBSA-N 458.364 2.350 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C12CCC2 2283072034 LTBLSIHEDLUMCC-HNNXBMFYSA-N 458.368 2.438 30 10 JEEE CC1(C)OB(c2ccc(F)c(C(=O)NCCN(CC(=O)O)Cc3ccccc3)c2)OC1(C)C 2284471068 KFGHBKWOJICCFO-UHFFFAOYSA-N 456.323 2.442 30 10 JEEE CN(CC1(O)CN(C(=O)OC(C)(C)C)C1)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2287302103 SNMSTVLPLFVCNU-UHFFFAOYSA-N 464.343 2.179 30 10 JEEE COc1c(Br)cc(C=Nn2c(S)nncc2=O)c(OC)c1Br 2323022704 YTGIBMBAEFTMID-UHFFFAOYSA-N 450.112 2.351 30 10 JEEE C=CC1(NC2(C(=O)O)CCN(CCNC(=O)OC(C)(C)C)CC2)CN(C(=O)OC(C)(C)C)C1 2350976786 QZQXASHMJWJZNW-UHFFFAOYSA-N 468.595 2.195 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(C(=O)OC(C)(C)C)CC12CCC2 2362350472 SDSOPKNIEUDWFP-UHFFFAOYSA-N 460.384 2.335 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC(F)(F)[C@@](C)(NC(=O)OC(C)(C)C)C1 2362355606 ARQRSPKCJCEHMS-FQEVSTJZSA-N 470.326 2.094 30 10 JEEE CC(=O)OC[C@@H](OC(C)=O)[C@@H](OC(C)=O)C1=NN(c2ccccc2)C(=O)/C1=N/Nc1ccccc1 101570609 ZTIAHQDUMNWAFM-NQVOJHDFSA-N 480.477 2.284 30 10 JEEE CCOC(=O)[C@@H]1CCCN(c2nc(O)c3c(n2)NC(=O)[C@@H](C#N)[C@@H]3c2ccccc2[N+](=O)[O-])C1 256033871 SOEKZXPVLVXNAN-INWMFGNUSA-N 466.454 2.094 30 10 JEEE CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(C)c2)c(=O)n1Cc1ccccc1 517153542 HGEKHNFZJOGHSF-UHFFFAOYSA-N 479.577 2.452 30 10 JEEE Cc1ccc(NC(=O)C(=O)NCc2ccc(C#N)cc2F)cc1S(=O)(=O)N1CCCCC1 609256669 BXXAEUGQLSUDAP-UHFFFAOYSA-N 458.515 2.435 30 10 JEEE C=CCn1c(S)nc2cc(C(=O)N[C@@H]3CC(=O)N(c4cccc(OC)c4)C3)ccc2c1=O 725902998 AFSWAHROESSVRI-OAHLLOKOSA-N 450.520 2.415 30 10 JEEE CSCCCn1c(=C(C#N)C(=O)Nc2ccccc2)sc(=Cc2cnn3ccccc23)c1=O 729669905 VVCWXFLCJHNEDA-UHFFFAOYSA-N 475.599 2.452 30 10 JEEE CC#CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@](O)(C(=O)O)C1 757198399 FNZPLGUOFLLCTQ-ATIYNZHBSA-N 462.502 2.355 30 10 JEEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCCN2C(=O)/C=C\c2ccc(Cl)cc2)CC1 919682859 RGLXPLOYKYHBBD-OMCJBDSBSA-N 458.990 2.181 30 10 JEEE COc1cc(C=NNc2nnc(SCC(=O)c3ccc4c(c3)OCO4)n2N)cc(OC)c1OC 1084169128 HKZHVFIQVGNHLP-UHFFFAOYSA-N 486.510 2.167 30 10 JEEE CCOC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 1127911344 CKWMDSVMKDADPO-RBBKRZOGSA-N 459.506 2.368 30 10 JEEE C=CCn1cc(CNC(=O)[C@@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc(C)cc2)nn1 1129930740 RFPNXOMJRWYDJD-QFIPXVFZSA-N 451.552 2.205 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2nc(Cc3ccccc3F)no2)s1 1177607649 QKEAANJNQAOTLB-UHFFFAOYSA-N 450.517 2.184 30 10 JEEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CC1(N2CCCC2)CCOCC1 1286303105 PLCMVKQMDZAGRA-SFHVURJKSA-N 456.616 2.373 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OCC)CCOC3)n2Cc2ccc(OC)nc2)c1 1286307858 BQWKXHYENBQCRS-SANMLTNESA-N 490.564 2.438 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC(=O)N(C)C)c1 1286312230 SIOZVXQVOHDFTL-DENIHFKCSA-N 466.586 2.341 30 10 JEEE C#CCCCCn1c(C(=O)NC(CC)CC)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1286313863 GCXDQSHTNMGOBL-UHFFFAOYSA-N 458.607 2.075 30 10 JEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCC(C)CC2)CC1 1286318184 SOYCDSRKXGZRRB-GPJFCIFZSA-N 450.653 2.393 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Cl)n1CCCO[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1286386906 JLKMZSPSOCRZCG-MSOLQXFVSA-N 479.002 2.421 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H](Cc1ccccc1)OC)[C@@H]1CCS(=O)(=O)C1 1286387689 UDACRYVIXUIYIW-NHCUHLMSSA-N 465.579 2.225 30 10 JEEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1Cc1cc(COC(C)(C)C)on1 1286407349 IRSQWQZRQWYSRM-UHFFFAOYSA-N 450.499 2.430 30 10 JEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1Cc1cc(F)ccc1N1CCOCC1 1286416553 SKRXAYJMXGWBIY-UHFFFAOYSA-N 492.580 2.366 30 10 JEEE C#CCN1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CC(C)(C)COCC)CC1 1286476877 HXCPEAAZUXUECS-UHFFFAOYSA-N 473.647 2.056 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC2=CCCOC2)CC1 1286486264 KHCPCYXGIPVJPR-UHFFFAOYSA-N 496.999 2.174 30 10 JEEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1286510954 DSDCIVIRTHXSPB-HXUWFJFHSA-N 457.648 2.495 30 10 JEEE C#CCSCCn1c(N2CCC(C(=O)NCC(F)(F)F)CC2)nnc1[C@@]1(OCC)CCOC1 1286513506 WLGIWYPDQQNVNV-HXUWFJFHSA-N 489.564 2.192 30 10 JEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 1286601578 MQUWPFFSFMTYNR-UHFFFAOYSA-N 458.607 2.478 30 10 JEEE C=CCCOCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1286707376 CQCHKHAJVKBKMO-OAQYLSRUSA-N 461.544 2.461 30 10 JEEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCC[C@H](OCCOC)C1 1286785264 HVDLVXWANBOLIX-SFHVURJKSA-N 452.559 2.371 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1286820563 NGQSNPCWDOSCSQ-JOCHJYFZSA-N 484.626 2.314 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1Cc1ccc(F)c(F)c1 1288158044 FRWUGSPZBBQBES-OAHLLOKOSA-N 481.511 2.120 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC1(O)CCN(C(C)C)CC1 1300317179 LPSOHJNQDHQZKW-XMMPIXPASA-N 493.700 2.336 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)c1ccccc1F 1300578149 ICTHOPMIVMEZCK-OAQYLSRUSA-N 487.601 2.191 30 10 JEEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1C[C@@H](c1ccc(C)cc1)N1CCOCC1 1300635157 FPBBEDGTUSJAEX-QFIPXVFZSA-N 450.587 2.242 30 10 JEEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC([C@@H]2CCCO2)CC1 1301187790 BXWBMLHDVKLBKD-VQTJNVASSA-N 467.636 2.363 30 10 JEEE C=CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1301433481 RPROFLMMLUAPHX-INIZCTEOSA-N 460.966 2.431 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1301482079 RZHUPEANFQAEIU-UEXGIBASSA-N 482.585 2.081 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2ccc(C(N)=O)nc2)C1 1301543205 IZAPQAQSDIVTLR-HNNXBMFYSA-N 472.347 2.359 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2cccc(NC(=O)OC)c2)C1 1301565457 CKQDMXUTOQPGCI-LJQANCHMSA-N 454.531 2.408 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1301577197 LGTYSOUGQWXXPY-LJQANCHMSA-N 460.560 2.242 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1301577272 MLIRBPJEODYCOG-GOSISDBHSA-N 477.587 2.269 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CCN1CC=CCC1)[C@H]1CCS(=O)(=O)C1 1358965339 SNLCVQCFWGWJRO-SFHVURJKSA-N 475.565 2.036 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@H](F)COC)CC1 1359035330 QWEPKTLHNARQCP-RBUKOAKNSA-N 464.586 2.132 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccc(C)cc2OC)CC1 1359042041 PLWSTSPDSBPOBW-AREMUKBSSA-N 481.597 2.261 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CC(F)(F)F)CC1 1359044061 TVIZWKBUTBYGSS-UHFFFAOYSA-N 487.486 2.203 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2Cc2cccc(C(=O)NCC)c2)CC1 1359046187 HRSABHGWOXPWPE-UHFFFAOYSA-N 485.592 2.028 30 10 JEEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1359054755 GGDXHQJMAUOKOT-UHFFFAOYSA-N 456.664 2.040 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C(=O)N(C)c2ccccc2)C1 1359150605 BWVVYAUYWMNPRP-IAGOWNOFSA-N 463.991 2.422 30 10 JEEE C=CCCOCCn1c(N2C[C@H](C)O[C@]3(CCOC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1359229641 PGYGHOMSKVDQCZ-WWPVKYPJSA-N 450.580 2.296 30 10 JEEE C=CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(C(=O)C(C)C)CC1 1359341049 KFZHXOLLMRVBEN-UHFFFAOYSA-N 481.626 2.416 30 10 JEEE C#CCN(C(=O)N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O)[C@@H]1CCS(=O)(=O)C1 1470077795 ZKESBSCHAMRMMB-GDBMZVCRSA-N 458.367 2.321 30 10 JEEE CNC(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCOc2ncccc2F)C1 1503760210 FFALLCIQTXVCML-SFHVURJKSA-N 479.516 2.304 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCCOC[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1507629474 UHVOOAYABWETKY-RTBURBONSA-N 494.017 2.206 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1ccc(OC)cc1F)[C@H]1CCS(=O)(=O)C1 1507632677 OZYLKXPYBUFRDI-PXNSSMCTSA-N 462.547 2.342 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1Cc1ccc(N2CCOC2=O)cc1)[C@@H]1CCS(=O)(=O)C1 1507632825 AVNHAQVTHSQMMM-HXUWFJFHSA-N 471.583 2.108 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(C)C)n1C[C@H](N1CCOCC1)C(F)(F)F 1507699357 GFCFQHDXCZTGKI-IBGZPJMESA-N 496.509 2.458 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(OCC)cc3)n2CC(=O)N(C)CC)CC1 1507720898 GOIVIHIDZPMFDT-LJQANCHMSA-N 454.575 2.050 30 10 JEEE C=CCN(C)c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1507971014 HSBJRVUGGFWPBC-FUHWJXTLSA-N 452.625 2.023 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1508106052 RHONNUGHICUUPT-RUZDIDTESA-N 468.602 2.330 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC2(O)CCS(=O)(=O)CC2)C1 1508128775 OVNKUEROAJFHCL-IBGZPJMESA-N 497.017 2.232 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Br)nnc1N1CCN(CCOC)CC1 1508135019 CVGWZAFWYQHJKQ-UHFFFAOYSA-N 498.447 2.077 30 10 JEEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCO[C@H]2C(C)C)CC1 1508256978 AHIWTCNUHQOEJW-OFNKIYASSA-N 452.559 2.458 30 10 JEEE Cc1cc(C(=O)NC2CCN(c3nnc(-c4cccc(C#N)c4)n3CCCC(=O)N(C)C)CC2)no1 1510536853 CXEYNKYZKQXABR-UHFFFAOYSA-N 490.568 2.380 30 10 JEEE CCC(O)(CC)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1513525408 FEIXKNPTKWLKQS-UHFFFAOYSA-N 463.590 2.284 30 10 JEEE CN(CCn1c(Cc2cccnc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1)CC(F)(F)F 1517315543 FZIPRPYIAPYAIE-UHFFFAOYSA-N 485.518 2.351 30 10 JEEE C#CCCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)[C@H](C)CS(C)(=O)=O 1539049575 PSMKKROTFOSKCQ-MRXNPFEDSA-N 480.660 2.219 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)Cc1ccc(OC)cc1 1539124942 JBDMCROQPIKQCU-FQEVSTJZSA-N 461.588 2.060 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1C[C@@]1(O)CCSC1)[C@H]1CCS(=O)(=O)C1 1539210770 DNQUHYOOPJLZKX-YWZLYKJASA-N 485.006 2.232 30 10 JEEE C=CCN(C)c1nnc(CSc2ccccc2OC)n1C[C@H]1CCN(S(C)(=O)=O)C1 1540088509 LXCREHCIWFQSLD-INIZCTEOSA-N 451.618 2.483 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCN2C(=O)NC[C@@H]2C1 1540862627 GDYLZHMLKWMHAH-FUHWJXTLSA-N 487.992 2.204 30 10 JEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H]1CCC[C@H]([S@](=O)CC)C1 1545184586 GATAZICBBJSHRV-RMRXCLTESA-N 453.630 2.480 30 10 JEEE CCS(=O)(=O)N(C)CCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)C[C@@H](C)C#N 1548325391 ASHVDHBFZATVJI-ZDUSSCGKSA-N 472.413 2.303 30 10 JEEE CNC(=O)[C@@H]1CN(S(=O)(=O)c2cccc(F)c2)CCN1c1ccc(C#N)c(C(F)(F)F)c1 1548367646 BZXBOQBFCDVGDY-SFHVURJKSA-N 470.448 2.342 30 10 JEEE CNC(=O)N1C[C@@H](C(=O)NCCOC)C2(CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)C1 1548376063 ITWZTAWUNIVJKE-SFHVURJKSA-N 467.492 2.197 30 10 JEEE COC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1554570702 GNTKJTMYEIQSRY-KRWDZBQOSA-N 451.575 2.031 30 10 JEEE COCCN1C[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(CC(C)C)C(=O)[C@@H]2C)CC1=O 1555574718 HZMPEKILLWFMFE-FPOVZHCZSA-N 493.612 2.005 30 10 JEEE C=CCCc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)[C@H]3CS(=O)(=O)C[C@H]32)cc1 1561985118 GNNKELQNQVCPNG-RBUKOAKNSA-N 470.613 2.212 30 10 JEEE C#CCCCn1c(Cc2ccccc2F)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1587865882 ZMAWIJWWYKIRPT-XXBNENTESA-N 452.578 2.410 30 10 JEEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CCCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1588034501 HGTLCYSLEIXCHR-ZJSXRUAMSA-N 472.611 2.190 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@](C)(O)C2CC2)CC1 1588907262 ACHDSQKCWCXYOQ-VWLOTQADSA-N 467.570 2.089 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2ccc(Cl)nc2C1 1589492687 CNIAFEBQYNICMB-OGWOLHLISA-N 481.022 2.481 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)CC)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1589492994 FDTREAHNWHREOE-NSHGMRRFSA-N 478.619 2.413 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1589527964 BZICTTVZDKVEHU-DYXWJJEUSA-N 474.631 2.395 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC2CC2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1589559241 OXXVSODHYTZVLX-NQIIRXRSSA-N 451.637 2.462 30 10 JEEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1593741235 KXHLKAYTKTUKKK-ZRBLBEILSA-N 488.677 2.391 30 10 JEEE C=C(C)COCCn1c(COc2ccc(Br)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1593763508 MLHUUHVRPWMHIX-SFHVURJKSA-N 494.390 2.164 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1NC(=O)CC1(C)C 1595076067 SAHMASPOQABDKN-OALUTQOASA-N 452.559 2.345 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N(C)Cc1c(C)nn(C)c1C 1595496857 IXGDJXWDLZASQX-UHFFFAOYSA-N 453.547 2.251 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](N2CCOCC2)C(F)(F)F)C1 1595745187 QWUZSGUCTCDKKB-OALUTQOASA-N 483.539 2.184 30 10 JEEE C=CCS(=O)(=O)CCn1c(CSc2ccccc2OC)nnc1N1CC[C@@H](C)[C@@H](O)C1 1595831361 PQQXWJAARCGRQF-SJORKVTESA-N 466.629 2.387 30 10 JEEE CC(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCC[C@@H](O)C2)CC1 1596513776 DGBBTHNZJYKESJ-TZIWHRDSSA-N 452.559 2.385 30 10 JEEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N(C)CC(=O)N1CCC[C@H](C(=O)OCC)C1 1606617231 XFVLUNQICQYDQX-SFHVURJKSA-N 454.527 2.311 30 10 JEEE CCCOc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H](C)CN2CCOCC2)cc1OC 1615006144 FVFACCZJVJCLEY-CTNGQTDRSA-N 484.601 2.440 30 10 JEEE N#Cc1cc(CN2CCOCC2)cn(Cc2nc(-c3cccc(Br)c3)no2)c1=O 1651996504 BZFMHOONVMUFLZ-UHFFFAOYSA-N 456.300 2.413 30 10 JEEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(-c3nc4cc(C)ccc4o3)cc2)CC1 1674441819 MRNVOBZZMKEODG-UHFFFAOYSA-N 453.524 2.420 30 10 JEEE C=CCN(CCc1ccccc1)C(=O)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 1681825227 PWYSMFPJOMKDAD-UHFFFAOYSA-N 457.552 2.271 30 10 JEEE C#CCN(c1nnc(-c2cnn(-c3ccccc3)c2)n1CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1689988068 INIOQEDVICQDTJ-QGZVFWFLSA-N 464.473 2.320 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H](C)N(C)c2ccccc2)CC1 1690135233 SFUMXGCJDJNTOF-GIWBLDEGSA-N 452.603 2.282 30 10 JEEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1690316057 UZLHXHIEAVRKOJ-FQEVSTJZSA-N 464.574 2.254 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(c2nccc(OC)n2)CC1 1690663908 HZRQIIMLBHAXBU-UHFFFAOYSA-N 468.949 2.026 30 10 JEEE CC(C)NC(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1692550137 BXDIKXWRDYBVJF-KRWDZBQOSA-N 455.538 2.034 30 10 JEEE CCc1nn(C)c(OC)c1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1694608935 AZBLNMUMUWLWMU-GOSISDBHSA-N 483.598 2.183 30 10 JEEE CCO[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2Cc2cccnc2OCC(F)F)CCOC1 1696050534 BOQMHVJJMAVRCH-LEWJYISDSA-N 466.464 2.459 30 10 JEEE COCCN(C)CCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@](F)(C#N)C1 1698025538 HXEGMJYLQXNIQN-QFIPXVFZSA-N 454.510 2.004 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2sccc2c1 1705494877 HPPGRBGHVDKETM-MAUKXSAKSA-N 459.597 2.332 30 10 JEEE C#CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H](C)N1CCN(CC)CC1 1705558060 JCRAGROTVLFZOB-PMACEKPBSA-N 459.639 2.446 30 10 JEEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1CC1([S@](C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1705560204 IKPPTIILPAOKQO-SQDCYFTFSA-N 474.652 2.358 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1CC(F)(F)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1705565874 JUFIZBAEDYWHTD-QGZVFWFLSA-N 458.494 2.154 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@]1(O)CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1705569651 FLYJKBFEQRRKQW-WCAVRKLYSA-N 460.575 2.186 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2ccccn2)n1CCN1CCN(Cc2ccccc2)CC1 1705584346 HKYPQSATSPGPNO-UHFFFAOYSA-N 453.594 2.155 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1CCc1nnc2n1CCCCC2 1705603746 UNUBOLRPXWHFCX-UGKGYDQZSA-N 451.575 2.026 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@H]2CCOC[C@H]2OC)CC1 1705651415 WHEXQVFEGVPCQT-ISKFKSNPSA-N 495.624 2.491 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCC(C)(C)C)CC1 1705661504 CWEQTCQUNLBFDQ-GOSISDBHSA-N 453.678 2.105 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](O)(Cc2cccc(Cl)c2)C1 1705662312 VZVUNNUUVGEZSS-AVRDEDQJSA-N 495.070 2.384 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)Cc1ccc(C(=O)NC)cc1 1705693555 HXTHHSJUCYPBGR-VQTJNVASSA-N 454.575 2.394 30 10 JEEE C=C(C)COCCn1c(N2CCO[C@]3(CCO[C@H]3C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1705740306 HPMAITLFJAALCT-WWPVKYPJSA-N 450.580 2.296 30 10 JEEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1705787648 YTOVCWWPPMTNDY-UHFFFAOYSA-N 482.633 2.496 30 10 JEEE C=CCN(CCc1ccco1)c1nnc(C(=O)N2CCCC2)n1CC(C)(C)N1CCOCC1 1705877787 DJMIVZCFDVACGP-UHFFFAOYSA-N 456.591 2.453 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(CC(=O)NC(C)C)CC1 1705902078 FTMZECGJXQHHMX-UHFFFAOYSA-N 494.427 2.201 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1705908154 JUUPBISPIUKFLH-UHFFFAOYSA-N 486.580 2.315 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1705939031 QEQYKPFDIYULML-UXHICEINSA-N 457.556 2.180 30 10 JEEE CC(C)OCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCOC2=O)CC1 1706710207 CUKGJJGJVUKWSE-UHFFFAOYSA-N 467.574 2.206 30 10 JEEE CCNC(=O)C(C)(C)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCO[C@@H](C#N)C1 1710311446 CVBGEXUPTQAPNE-ROUUACIJSA-N 489.621 2.284 30 10 JEEE CNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2C[C@H](C)O[C@@H](C)C2)CC1 1711351121 HPPZXCNAYAMZSY-OALUTQOASA-N 465.602 2.278 30 10 JEEE COC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1711491069 FPWFROKYPOHPQF-LJQANCHMSA-N 488.614 2.158 30 10 JEEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1722417754 RQKSOWYXLVFFGL-VABKMULXSA-N 453.587 2.363 30 10 JEEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(OC)cc2C(F)(F)F)CC1 1722440169 FGFAEFRBQKWJAP-UHFFFAOYSA-N 476.503 2.231 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2Cc2cnccc2OC)CC1 1722450405 HHGPJRGCOWLGPT-UHFFFAOYSA-N 478.528 2.414 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1722490568 ASABCMOFLTZBMX-LNLFQRSKSA-N 469.546 2.184 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1722494252 ODPSBMDPMLYMIA-IKGGRYGDSA-N 458.529 2.470 30 10 JEEE C=C(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](OCC)C1)c1ccccc1 1722539884 CFWWLSMJJWXIGM-RTWAWAEBSA-N 475.615 2.330 30 10 JEEE C=CCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1722581303 SFNWMTUGEFCOFQ-FPOVZHCZSA-N 473.666 2.398 30 10 JEEE C=CC[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](OC)C1)c1ccccc1 1722598085 ZHRFTNPXDAORNV-NJDAHSKKSA-N 475.615 2.196 30 10 JEEE C=CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1722682643 YUXXGKKJLZRHCE-QGZVFWFLSA-N 459.620 2.426 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(OCC(C)C)c1 1740549262 DSRCILSZAGOCGA-NQIIRXRSSA-N 475.615 2.152 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCC[C@@H]2OC)c1 1740563223 RHNLZZWWIHRGOE-IHPCNDPISA-N 450.543 2.101 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1CCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1740616915 IWOYNHHAVCWALD-OALUTQOASA-N 475.590 2.280 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1740617102 MAFLCCKWQXDMMV-SJLPKXTDSA-N 464.563 2.345 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1Cc1cccnc1-n1cccn1)[C@@H]1CCS(=O)(=O)C1 1740617725 WKHQKBLSQGJZIV-IEBWSBKVSA-N 453.572 2.047 30 10 JEEE C#CCN(CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@H]1NC(=O)CC1(C)C 1740674134 VSPPMOPGTSNVHX-QFIPXVFZSA-N 463.630 2.017 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2Cc2ccc(C#N)o2)CC1 1740689858 JHKQQFAOWBWNIL-UHFFFAOYSA-N 463.929 2.130 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1740710567 ZQEYQAJTBKSZTB-HKUYNNGSSA-N 452.584 2.228 30 10 JEEE C=C(C)COCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1740788479 VFJCSMSHQMXHCS-WIYYLYMNSA-N 466.542 2.288 30 10 JEEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1740857059 BLHZYRHJGWKNHD-UHFFFAOYSA-N 457.623 2.005 30 10 JEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1740887156 DKIBICYNKJBNIT-ROUUACIJSA-N 483.635 2.219 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc(C(=O)N2CCCC2)n1CC(=O)NCC(F)(F)F 1740917066 FVQIZBMULQVXFE-UHFFFAOYSA-N 450.465 2.385 30 10 JEEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC(O)(C(F)(F)F)CC1 1740961333 UGJXSWNONWJYOX-UHFFFAOYSA-N 459.419 2.343 30 10 JEEE C=CCOc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)CC2CC2)cc1 1740967928 UTIYFEUCZFAEHF-HXUWFJFHSA-N 461.588 2.070 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC2CCN(C(C)=O)CC2)C1 1740973321 VJBDIZXSWMSCMY-ZJSXRUAMSA-N 461.607 2.359 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1740993064 YAWXQODPLQBIHL-MOPGFXCFSA-N 451.637 2.084 30 10 JEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(c2cnn(C)c2)CC1 1741002697 KVQJEDXOJJLAMU-QGZVFWFLSA-N 450.634 2.217 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1Cc1nccs1)[C@@H]1CCS(=O)(=O)C1 1748802242 NZNYOJNINCDGOQ-GOSISDBHSA-N 484.607 2.279 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCOC1CCCCCC1)[C@H]1CCS(=O)(=O)C1 1748824337 OGLNFOZEUHTONO-AZUAARDMSA-N 450.605 2.496 30 10 JEEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1cccc(C(=O)NC)c1 1748913514 WMJMFGSGKQPZPF-UHFFFAOYSA-N 479.610 2.414 30 10 JEEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC[S@@](=O)C(C)(C)C 1748920467 NFBYMEOEQAKKCT-SSEXGKCCSA-N 450.634 2.245 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CCC(=O)N1CCCCC1 1748960660 MFSYQXXZUHIUNG-UHFFFAOYSA-N 463.542 2.083 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCc2cc(OC)c(OC)cc2CC1 1749676626 XMJNCKMSPKBQEC-UHFFFAOYSA-N 462.554 2.189 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCC(O)(C(F)(F)F)CC1 1749679877 CQXATRSKUJDDDY-UHFFFAOYSA-N 457.428 2.192 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@@H](CCOC)C1 1749734423 IXRXYRLHAYLJKZ-FXAWDEMLSA-N 462.572 2.254 30 10 JEEE C#CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC(S(=O)(=O)CC)CC1 1760152154 FPVYXTOWXKEZHI-UHFFFAOYSA-N 482.610 2.492 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@H](c1ccsc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1760190542 RWFYCGKBQQWVIG-LEWJYISDSA-N 484.651 2.255 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)N2C[C@H](C)O[C@H](C)C2)CC1 1760256074 SDVXTTGOWOYHDF-OYRHEFFESA-N 461.614 2.460 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC(=C)Br)CC1 1760266106 PYWQCIYWIJYEAB-OAQYLSRUSA-N 480.407 2.193 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1[C@@H]1CCCO1 1760316139 MTBKURIIZNJVQY-PJVZLEMVSA-N 453.609 2.017 30 10 JEEE C=CCC(C)(C)Cn1c(-c2ccccc2C)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1760410300 ZTNVRXBPOGAHEF-UHFFFAOYSA-N 480.613 2.363 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCN(C(=O)c2ccsc2)CC1 1760528303 YPRDCTNIFCRVKD-UHFFFAOYSA-N 496.593 2.192 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@@](C)(O)c1ccsc1 1761466133 HSGTVMAKPLGDSD-QVKFZJNVSA-N 474.612 2.366 30 10 JEEE N#CCCN(CC1CC1)c1nnc(CN2CCCC2=O)n1CCn1cc(Br)cn1 1771543358 CNFITSCKFJFWLS-UHFFFAOYSA-N 461.368 2.190 30 10 JEEE N#Cc1ccccc1S(=O)(=O)N1CC[C@@H](NS(=O)(=O)c2ccc(Br)cc2)C1 1858335420 LWVFIUXYXGNHBW-OAHLLOKOSA-N 470.370 2.062 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)[C@H](C)Oc3cccnc3NC(=O)/C=C/C(=O)O)cc21 1858752042 PLNLKRZXVIMGAV-VFNNOXKTSA-N 451.435 2.223 30 10 JEEE CC[C@](C)(NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1)C(=O)N(CCOC)CCOC 1868795149 JHJBSBAPPGBTOZ-CVDCTZTESA-N 464.632 2.431 30 10 JEEE CN1C(=O)c2ccc(-n3nnc(C#N)c3NC(=O)CNC(=O)c3ccc(C(C)(C)C)cc3)cc2C1=O 1870140240 GNMSLKAUTFSSBR-UHFFFAOYSA-N 485.504 2.031 30 10 JEEE Cc1ccc(-n2nnc(C#N)c2NC(=O)CN2C(=O)c3ccc(Br)cc3C2=O)cc1 1870155628 XFCNXVUULAVFSP-UHFFFAOYSA-N 465.267 2.445 30 10 JEEE C=CCn1cc(OCC(=O)NCCN(CC)CC)c(=O)cc1CNc1ccc2[nH]ncc2c1 1870975891 OVAKJLCNCHWEDN-UHFFFAOYSA-N 452.559 2.360 30 10 JEEE C=CCN(CC=C)c1nc(=NCCc2cnc[nH]2)[nH]c(=Nc2cc(OC)c(OC)c(OC)c2)[nH]1 1871565775 CBIHXSCVWWXXDL-UHFFFAOYSA-N 466.546 2.041 30 10 JEEE O=c1c(Cl)c(N/N=C/c2cc(Br)ccc2O)cnn1[C@@H]1CCS(=O)(=O)C1 1873528528 BCHATEMADSCINN-FISSAEAXSA-N 461.725 2.170 30 10 JEEE O=C(O)c1ccccc1/C=N/n1c(SCCO)nnc1[C@H]1CC(=O)N(Cc2ccccc2)C1 1874208557 IPVGABDZFBFTGZ-VQXFCIMOSA-N 465.535 2.459 30 10 JEEE N#CC1CC(O)(CS(=O)(=O)CC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)C1 2074762934 NCAXNHDYCYUMDR-PMBLGMBLSA-N 498.557 2.448 30 10 JEEE CC(C)(C)OC(=O)N[C@H](C[C@H]1CCCO1)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2180981060 PSQBIYYUJPTNBF-HZPDHXFCSA-N 462.356 2.177 30 10 JEEE C[C@@H](O)CN(CCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(=O)OC(C)(C)C 2255614739 LRMSXMZCVBMSKI-CQSZACIVSA-N 454.398 2.395 30 10 JEEE C=C(CS(=O)(=O)N[C@@H]1CCO[C@H](CNC(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2255801382 LWIYLSRGIGYNGH-CVEARBPZSA-N 460.402 2.166 30 10 JEEE CC(C)(C)OC(=O)NCC1(CNC(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)COC1 2255810418 BYCGRWMWMGLOGG-UHFFFAOYSA-N 452.382 2.318 30 10 JEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)CCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2267125041 QYQFPXSUYKRCNI-UHFFFAOYSA-N 486.421 2.070 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)[C@@H](CO)C1 2267126325 LAYOKCJWMMQAKY-GDBMZVCRSA-N 466.409 2.395 30 10 JEEE Cc1csc(C(=O)N[C@@]2(CO)CCN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267158465 CICGTPYWXLNHTK-QFIPXVFZSA-N 466.409 2.457 30 10 JEEE CC(C)(C)OC(=O)N[C@]1(C(=O)O)CCN(C(=O)c2csc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267286843 RCQMIIZDMHOKIZ-OAQYLSRUSA-N 466.365 2.241 30 10 JEEE COCCN(CCNC(=O)c1nc(C)sc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2267477127 HTXODDYDRQIACE-UHFFFAOYSA-N 469.413 2.364 30 10 JEEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)[C@H]2C[C@H]21 2267711983 AYRZOMJYZPEJMR-MSOLQXFVSA-N 464.393 2.368 30 10 JEEE CC1(NC(=O)OC(C)(C)C)CN(S(=O)(=O)Cc2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2267720682 NJNBVGRTMXKPLD-UHFFFAOYSA-N 466.409 2.415 30 10 JEEE CC(C)(C)OC(=O)NC1[C@H]2CN(S(=O)(=O)Cc3ccsc3B3OC(C)(C)C(C)(C)O3)C[C@H]12 2267726496 OFMKKIXWYLXCSS-GJZGRUSLSA-N 484.449 2.332 30 10 JEEE CO[C@@H]1C[C@@H](C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)N(C(=O)OC(C)(C)C)C1 2268636906 ILJNLFQDJOGXNI-KGLIPLIRSA-N 467.397 2.083 30 10 JEEE C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(F)c(F)c1B1OC(C)(C)C(C)(C)O1 2268638803 KIZSYJIXJNMPDC-BDJLRTHQSA-N 456.295 2.477 30 10 JEEE CN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1)[C@@H]1CCC[C@H]1CNC(=O)OC(C)(C)C 2281959706 PQBBRJNGDANTOV-DOTOQJQBSA-N 462.400 2.485 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2CN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)C[C@@H]21 2281987413 ZJIYCABEBHJZOI-OWCLPIDISA-N 460.384 2.474 30 10 JEEE Cn1cc(C(=O)N2C[C@@H]3CCC[C@H](C2)N3C(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2282038039 CWNBSVGXKWCSDU-IYBDPMFKSA-N 460.384 2.333 30 10 JEEE CC(C)(C)OC(=O)NCCCN1CCN(C(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)CC1 2282526242 VWGFBFFMSVHCOM-UHFFFAOYSA-N 480.440 2.115 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@]2(C[C@H](NC(=O)c3nscc3B3OC(C)(C)C(C)(C)O3)CO2)C1 2282528956 ZGKZKMGGEBHTQE-FPTDNZKUSA-N 479.408 2.341 30 10 JEEE Cn1ncc(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 2282534411 FYGOGWOPQCQLOM-FSDCSDTHSA-N 460.384 2.141 30 10 JEEE CCn1cc(C(=O)NC[C@@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)nc1B1OC(C)(C)C(C)(C)O1 2282540984 RGVPSMPFSRQYIY-NPMXOYFQSA-N 460.384 2.189 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@@H](NC(=O)C(F)(F)F)[C@H](C)C2)n1 2282552558 QZFRLGBAPFUDOI-IUODEOHRSA-N 455.286 2.218 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)n1 2282553936 WKCHNPYWNVJAMD-ZDUSSCGKSA-N 470.326 2.094 30 10 JEEE CCc1nn(C)c(C(=O)N[C@@H]2[C@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)c1B1OC(C)(C)C(C)(C)O1 2282559200 NSQPIINQKZCRHG-YSVLISHTSA-N 460.384 2.019 30 10 JEEE Cn1nc(C(=O)N[C@@H]2C[C@H]3C[C@H]2C[C@@H]3NC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2282621399 RIZIOVGQHQOFSY-JJXSEGSLSA-N 460.384 2.141 30 10 JEEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)C1NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2282685935 MERDKILSBFJTBN-HUUCEWRRSA-N 460.384 2.397 30 10 JEEE CC1(C)OB(c2ccc(C(=O)NC[C@]3(O)CCN(Cc4ccccc4)C3)c(O)c2)OC1(C)C 2282804585 ZRADXFYYRAIXHK-RUZDIDTESA-N 452.360 2.058 30 10 JEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1O 2282884575 PSUANRCDIQZVJG-SJLPKXTDSA-N 462.352 2.056 30 10 JEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)[C@@H]1NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2283061599 QEIIYJYYBBRZJW-ZSHCYNCHSA-N 460.384 2.397 30 10 JEEE CC(C)(C)OC(=O)NCc1cn(CCNCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)nn1 2287083416 JSAFYJKSTFLGQD-UHFFFAOYSA-N 457.384 2.392 30 10 JEEE CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)NCCc1c(F)cccc1B1OC(C)(C)C(C)(C)O1 2289650966 MGSBDTIDWXMMAS-GOSISDBHSA-N 466.359 2.059 30 10 JEEE CN(C)CCN1C(=O)C(=O)C(=C(O)c2ccc3c(c2)OCCO3)[C@H]1c1cccc([N+](=O)[O-])c1 2296593731 UHTXMHCZYGRZMU-HXUWFJFHSA-N 453.451 2.349 30 10 JEEE CCN(CC)C(=O)COc1ccc(C=CC(=O)C(=O)Nc2ccc(N3CCOCC3)nc2)cc1 2325565351 DWTPXAJKJFIRGC-UHFFFAOYSA-N 466.538 2.386 30 10 JEEE CCOc1ccc(OCc2nnc(SCC(N)=O)n2N=Cc2ccc(O)c([N+](=O)[O-])c2)cc1 2326660303 JVVUADBSFDRDQB-UHFFFAOYSA-N 472.483 2.329 30 10 JEEE CC(C)(C)OC(=O)N1CC(OCCNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2O)C1 2362200542 AKHOMBYGHSOKLD-UHFFFAOYSA-N 462.352 2.057 30 10 JEEE C=CCNC(=O)Cn1c(=O)/c(=C/c2ccccn2)s/c1=C\C(=O)c1ccc(C(C)(C)C)cc1 18985800 ZBNVRVUZDDWDRP-XTEBFAGPSA-N 461.587 2.397 30 10 JEEE C[C@H]1Oc2ccc(C(=O)C[S@](=O)CC(=O)Nc3sc4c(c3C#N)CCC4)cc2NC1=O 586348495 MRCOHRKZRSGLGH-PCQWEPPDSA-N 457.533 2.398 30 10 JEEE C#CCN(C(=O)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1)[C@H]1CCS(=O)(=O)C1 729330675 HKLPKRPARQJNEN-SFHVURJKSA-N 466.968 2.403 30 10 JEEE C=CCc1cccc(C=NNc2nc(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)n[nH]2)c1O 1084486091 NSUNUWAFLWCVFE-UHFFFAOYSA-N 487.567 2.063 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc(OC)c(N3CCOC3=O)c2)s1 1136972632 UIKLHENOYVFPJD-UHFFFAOYSA-N 451.526 2.359 30 10 JEEE C#CCn1cc(CNC(=O)[C@@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc(F)cc2)cn1 1139860749 HFZQUXKOZHKYRL-QFIPXVFZSA-N 452.511 2.087 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1CC[C@@H](C)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1286386633 FBFSLOAQXGUGCB-WOJBJXKFSA-N 458.632 2.175 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc(Cl)nc3)n2C[C@@]2(O)CCO[C@@H]2C)n1 1286472526 YWIDSOLGMGKWJW-HXOBKFHXSA-N 485.976 2.016 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCCO[C@@H]2C(C)(C)C)CC1 1286490310 KIOZXVSMFODRMS-DYXWJJEUSA-N 470.618 2.036 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1286496296 PLXOGFAVSBFXCL-LJQANCHMSA-N 480.598 2.011 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)C1CCC(NC(C)=O)CC1 1286549790 WNNCNOWGPUGUNB-WCHWRFHJSA-N 458.607 2.379 30 10 JEEE C=C(C)COCCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1286607509 HPVJJOQNYARJSF-NRFANRHFSA-N 491.614 2.244 30 10 JEEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1286705620 BGBIWTDPOAPCMI-QHCPKHFHSA-N 456.547 2.292 30 10 JEEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1N1CCOCC1 1286765304 BINOIKJUSSONGJ-UHFFFAOYSA-N 454.575 2.038 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1286782033 IKXTZBHCMDNLAT-HXUWFJFHSA-N 457.542 2.014 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCC(CNC(C)=O)CC2)cc1 1286793460 FGGXXDMWXNULTA-UHFFFAOYSA-N 454.575 2.382 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC(C)(c2nc(C)no2)CC1 1286819037 XEYPAFASPBAQBJ-UHFFFAOYSA-N 459.576 2.134 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCc3ccccc3C2)nnc1[C@@]1(OC(C)C)CCOC1 1286825628 UJUUYLMFMXVWBM-HSZRJFAPSA-N 460.600 2.482 30 10 JEEE C=CC1(CC(=O)N2CCN(C)C[C@@H]2CNC(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)C1 1294574143 XEENQCLYOCPGOC-KRWDZBQOSA-N 452.596 2.467 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H](c1ccc(C)o1)N1CCOCC1 1300329711 RYJLPKKOHPHFNZ-KHHDVDEJSA-N 457.575 2.435 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2Cc2c(CC)nn(C)c2OC)c1 1300332576 JKISKESLEJGRQF-UHFFFAOYSA-N 485.552 2.144 30 10 JEEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCC(=O)NC(C)(C)C 1300472149 ZRROXQSBGJQKRY-UHFFFAOYSA-N 451.619 2.017 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1cccc(N2CCOCC2)n1 1300511368 IGKSWCJFUWKIOW-UHFFFAOYSA-N 480.370 2.388 30 10 JEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1Cc1ccccc1CN1CCCC1=O 1300591455 QELFLEANXRWZIZ-UHFFFAOYSA-N 458.566 2.034 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2CC2C[C@H](C)O[C@@H](C)C2)CC1 1300716792 RDNPFQQLPBRHHW-FHWLQOOXSA-N 461.607 2.172 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C(C)C)N2CCCC2)CC1 1301124198 HGHKTMZZFNLKFK-NHCUHLMSSA-N 480.679 2.134 30 10 JEEE C=CCCOCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1301252148 KTNYOFVBGHFXNK-RTBURBONSA-N 489.621 2.199 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)Cc1ccon1 1301497157 PZQITLGZHJLOEC-UHFFFAOYSA-N 462.514 2.163 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](C2CC2)C1 1301502829 PZQFDPRROBHATC-MSOLQXFVSA-N 460.579 2.125 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC(C(=O)Nc2ccc(C)cn2)CC1 1301507155 YLUHKBIQPQDEBR-UHFFFAOYSA-N 474.569 2.125 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccccc2CC)C1 1301556899 KEKCDONOJFUTBF-LEWJYISDSA-N 475.615 2.003 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)Cc1cnccn1 1301576097 RZLMVZMZVLHGPK-UHFFFAOYSA-N 464.555 2.362 30 10 JEEE CC(C)CC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1303006925 HPAADPJLJRFCLG-FDDCHVKYSA-N 474.631 2.474 30 10 JEEE C[C@]1(C#N)CCCN(c2nnc(Cc3ccccc3F)n2CC2(O)CCS(=O)(=O)CC2)C1 1303939439 FLPJLAMQTALXNN-OAQYLSRUSA-N 461.563 2.078 30 10 JEEE CCN(c1nnc(COc2ccc(C#N)cc2)n1CCCn1cccn1)[C@H]1CCS(=O)(=O)C1 1313618428 ALOVKQJCAVWXBT-IBGZPJMESA-N 469.571 2.029 30 10 JEEE CN(C)[C@@]1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)CCSC1 1314651750 AKBKGMHCYVOPJX-DENIHFKCSA-N 474.656 2.267 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](OC)C(C)(C)C)c1 1358902226 HVZZJWYCHNRKNW-AZUAARDMSA-N 487.626 2.298 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@](C)(O)C(C)C)[C@H]1CCS(=O)(=O)C1 1358967875 UUWBIPODYCBGQX-CVDCTZTESA-N 460.600 2.199 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@]1(N2CCOCC2)CCSC1 1358974296 YDDKZIVPFHXOQY-RUZDIDTESA-N 481.622 2.243 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1Cc1c(Cl)c(C(F)(F)F)nn1C 1358984527 ZMSVQOKTWNSBKW-UHFFFAOYSA-N 455.872 2.333 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@](C)(O)c2cc(C)oc2C)CC1 1359040451 VKEJYAJBJGGTEW-AREMUKBSSA-N 498.628 2.280 30 10 JEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1359055564 HXCQNCVPFXMBIV-OAQYLSRUSA-N 463.611 2.180 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@@H](C(C)C)C1 1359098833 GVEUALBBPFIPKD-WTGUMLROSA-N 499.703 2.170 30 10 JEEE C=C(C)COCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](OC)C1 1359132782 FHPXEPAUWLLZCP-ZWKOTPCHSA-N 451.568 2.404 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N(C)Cc1ccccn1 1359298854 NRPYFRDDAAZMPR-UHFFFAOYSA-N 472.553 2.399 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cnccn3)n2CC[C@H](N2CCOCC2)C(F)(F)F)C1 1359319199 UYLXXWITBUAISH-WMZOPIPTSA-N 467.496 2.170 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1359327652 HJISTKOGQXTKEB-GOSISDBHSA-N 480.034 2.358 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1C[C@H](C)C[C@@H](C)C1 1359330912 GXFRDCZCIUTQLK-IAGOWNOFSA-N 480.660 2.321 30 10 JEEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2OCC)c1 1444906887 QNDGFBPNAPVVRO-UHFFFAOYSA-N 456.568 2.001 30 10 JEEE C=CCNS(=O)(=O)c1ccc(C(=O)NN2Cc3ccc(Br)cc3C2=O)cc1 1470236749 KVCQIVYDKUJNMM-UHFFFAOYSA-N 450.314 2.214 30 10 JEEE Cc1csc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(CC(=O)NC(C)C)CC2)n1 1492649484 FGPMCOWWRXVJEX-UHFFFAOYSA-N 464.599 2.277 30 10 JEEE CCc1nnc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(CCOC)[C@H](C)C2)s1 1498552010 HKMWLIQTRKRPGC-MRXNPFEDSA-N 452.588 2.436 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1507549382 ZTVCTSUHXWXQRY-RQIDZSJNSA-N 454.575 2.128 30 10 JEEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(NC(=O)C2CCCC2)c1 1507616317 ISWIKDFZWVYYCP-LJQANCHMSA-N 455.584 2.427 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(OC)c2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1507663064 QZFVZJUFTLIEQQ-HSZRJFAPSA-N 462.598 2.359 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CCNC(=O)c1ccco1 1507701208 ZPSUVIJXGFADNQ-SFHVURJKSA-N 450.474 2.031 30 10 JEEE C#CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1507745234 UZSNGENXCQYYFG-GOSISDBHSA-N 477.656 2.428 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1507796391 AEYUQEAPTITSQO-BJLQDIEVSA-N 460.604 2.100 30 10 JEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(C)(C)N2C[C@@H](C)O[C@H](C)C2)CC1 1507896524 KITKVHDWGXEUTP-KURKYZTESA-N 468.668 2.179 30 10 JEEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1507925268 CRSCNBWOSSFLCE-GOSISDBHSA-N 466.652 2.474 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)OC 1508002311 DOSFTSUWGORHBS-LJQANCHMSA-N 463.604 2.229 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 1508136411 FZMUGMMEOYZHBZ-UHFFFAOYSA-N 485.570 2.119 30 10 JEEE CC(C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCC(=O)NCc1ccccc1 1508999346 AKAKCWJPHBFZBK-IBGZPJMESA-N 473.585 2.485 30 10 JEEE C[C@H]1C[C@H](C)CN(C(=O)CN2CCN(c3nnc(-c4cccc(C#N)c4)n3CC(C)(C)O)CC2)C1 1511976931 AJQUSAMZOGYTPL-PMACEKPBSA-N 479.629 2.214 30 10 JEEE COc1ccc(Br)c(-c2nnc(N3CCO[C@H](C#N)C3)n2CCC(=O)NC(C)C)c1 1518069869 AFJUGEDRJFPZJU-OAHLLOKOSA-N 477.363 2.360 30 10 JEEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1539051727 GISPUDLUYMRPOJ-IBGZPJMESA-N 470.555 2.421 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1CCNc1nccc(C(F)(F)F)n1)[C@@H]1CCS(=O)(=O)C1 1539201993 DMXJVGZRMAEVLU-HUUCEWRRSA-N 485.536 2.339 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1CC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1539204137 ZCJHKCMXMDVYJZ-ROUUACIJSA-N 476.599 2.214 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC[C@@H](C)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1539230666 OSCRRMZMVRXZDA-IFMALSPDSA-N 487.674 2.031 30 10 JEEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(c2ccccc2OC)CCC1 1539238806 CJBZWHQNIKZRSU-SFHVURJKSA-N 455.584 2.092 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CC(F)(F)CO1 1539325260 DXQPRBLQNLZJJN-QZTJIDSGSA-N 479.528 2.474 30 10 JEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(=O)c2ccccc2F)CC1 1539983109 VLMFNLNXOOGJCH-KRWDZBQOSA-N 478.594 2.346 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)N1CCN(c2ccccc2)CC1 1540072524 LWJKFXCCOBXDBW-VQTJNVASSA-N 458.632 2.013 30 10 JEEE C=CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1540856874 CZZWKOSRHWZJEG-HDICACEKSA-N 451.575 2.406 30 10 JEEE C=CCNC(=O)Cn1c(N2CCN(c3ccc(C)cc3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1540876007 FGHVEESNZYJCDA-VWLOTQADSA-N 468.602 2.256 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@H](CNC(C)=O)C2)cc1 1540876894 FKIAURFKZASAAL-HXUWFJFHSA-N 454.575 2.382 30 10 JEEE C=CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)CC(=O)N1CCOCC1 1540909464 HXKDRJUGZFJJAP-UHFFFAOYSA-N 469.409 2.250 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCc1ccc2c[nH]nc2c1 1541934937 HLLYUXTZEIIRTB-YCRPNKLZSA-N 456.576 2.137 30 10 JEEE CC(=O)NCC(=O)N1CC2(CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)C[C@H]1C(=O)NC1CC1 1548379840 JIKNSJLAZKZAJV-FQEVSTJZSA-N 491.514 2.179 30 10 JEEE C#CCCCCn1c(-c2ccccc2F)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1587746046 HQXVKMWZVAOMGE-UHFFFAOYSA-N 452.534 2.159 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1CCOc1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 1588055457 VYSMQTVIGCVSSJ-WMZOPIPTSA-N 464.975 2.141 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H]1CCCS(=O)(=O)C1 1588079271 UYICYQNZQBWKAA-IBGZPJMESA-N 453.568 2.045 30 10 JEEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2nccc(OCC)n2)CC1 1593741902 ZUZOLULPWKANHW-IBGZPJMESA-N 457.579 2.280 30 10 JEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN([C@@H](C)c2nccs2)CC1 1594679790 JEXHMIFOOVNUSE-HOTGVXAUSA-N 453.638 2.194 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@H](C(F)(F)F)C1 1595490768 ZPIBIJUSOHPLIP-LBPRGKRZSA-N 463.258 2.105 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCC(N2CCCNC2=O)CC1 1595516193 AVOADFYJICPNMQ-UHFFFAOYSA-N 457.966 2.285 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1595648260 AQICJKZFCZMMKZ-NRFANRHFSA-N 479.585 2.440 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@]2(O)CCN(C)C2)C1 1595720829 BYBHEUCWXLQCHU-NLFFAJNJSA-N 490.649 2.241 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](CC)c2ccccc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1595759564 GIKVFNYGLVWLNN-UXHICEINSA-N 480.656 2.434 30 10 JEEE CN(Cc1ncnn1CC(F)F)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCCS1(=O)=O 1618025528 GSTLBTXNIRPQLJ-KRWDZBQOSA-N 490.540 2.277 30 10 JEEE N#CCCn1ccc(NC(=O)c2cccc(S(=O)(=O)NCc3ccc4c(c3)OCO4)c2)n1 1618198614 AQXHANAXPJSBMC-UHFFFAOYSA-N 453.480 2.256 30 10 JEEE C=CCC[C@@H](NC(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1)C(=O)OCC 1627752889 VDNRSVRTDICKLD-CQSZACIVSA-N 454.453 2.374 30 10 JEEE N#Cc1cc(S(=O)(=O)N2CCN(C(=O)c3cccc(O)c3)CC2)ccc1Br 1660419493 FYTUVYKDEGCGKL-UHFFFAOYSA-N 450.314 2.173 30 10 JEEE C#CCN([C@@H]1CCOc2ccc(Br)cc21)S(=O)(=O)N=[S@](C)(=O)N(C)C 1661574811 RYKNLWCXUMNSPT-SHACYNPGSA-N 450.380 2.027 30 10 JEEE CCOC(=O)c1c(NC(=O)N(C)CC(=O)Nc2ccc3c(c2)OCCO3)c(C#N)cn1CC 1672918743 HXNBWXDLAZXJCJ-UHFFFAOYSA-N 455.471 2.430 30 10 JEEE CCNC(=O)COc1ccc(CNC(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)cc1OC 1674769472 CFHLEDCXWWXMNK-JOCHJYFZSA-N 452.511 2.365 30 10 JEEE C#C[C@H](NC(=O)NC[C@H](O)CS(=O)(=O)c1cccs1)c1ccc(Br)cc1 1683508356 QWVLNNCXZMVIFU-GJZGRUSLSA-N 457.371 2.319 30 10 JEEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@H](CNC(C)=O)C1 1689929603 AASVDMFNOFDANJ-HXUWFJFHSA-N 450.591 2.218 30 10 JEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1689936937 JFCLTQATQGJGTD-UHFFFAOYSA-N 464.599 2.416 30 10 JEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CC(C)(C)c1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1689978023 JZTATESTGIXXSN-GOSISDBHSA-N 487.601 2.258 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@@H](C)CN1CCN(CC)CC1)[C@H]1CCS(=O)(=O)C1 1689986458 QLDZKKBPXDABSB-GMAHTHKFSA-N 498.697 2.154 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(C)nc3ccccc23)n1CCOCCS(C)(=O)=O 1690034211 AKLAOILLKJWLIX-UHFFFAOYSA-N 465.579 2.326 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCOC[C@@H]1CCCO1 1690043541 DZNQQYJJSHREHB-FQEVSTJZSA-N 474.565 2.241 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCOC3)n2CC2CN(C(=O)OC(C)(C)C)C2)n1 1690109052 FADXDKGCGKQJOJ-FQEVSTJZSA-N 499.616 2.132 30 10 JEEE C=C(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1690294523 JWYDIVWXCMAMOZ-UHFFFAOYSA-N 491.596 2.245 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 1690313297 PRNNZJPEQUMQLG-QZTJIDSGSA-N 483.635 2.124 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@H]2OCC[C@H]2COC)n1CC1(O)CCS(=O)(=O)CC1 1690581649 VTRJIGMTRJQMQO-HKUYNNGSSA-N 496.655 2.196 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 1690655203 KSRPVBWKJYTLOE-IFMALSPDSA-N 479.629 2.306 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@H](CC(N)=O)C1 1690663081 LNAUVMBZGNOMFY-CQSZACIVSA-N 461.364 2.102 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@H](n2cncn2)C1 1690676439 ZUQOLYRXJCTOQF-IBGZPJMESA-N 450.547 2.209 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCn2cncn2)C1 1690714031 CKLXZCWYZRELHF-KSZLIROESA-N 458.567 2.122 30 10 JEEE CCCN1CC[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](CNS(C)(=O)=O)C2)C1 1695355496 AURPWECMGVCWKQ-NHCUHLMSSA-N 485.658 2.314 30 10 JEEE COC(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C(C)C)N2CCOCC2)C1 1697044471 CZVPICWSVXYZJB-SFTDATJTSA-N 452.559 2.173 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1[C@@H]1CCC[C@H](C(F)(F)F)C1)[C@@H]1CCS(=O)(=O)C1 1705558900 LJIOYWNDMRWDSA-ARFHVFGLSA-N 475.537 2.337 30 10 JEEE C#CCN(c1nnc(C2CCC2)n1Cc1cccc(OCCN(C)C)c1)[C@@H]1CCS(=O)(=O)C1 1705564115 AFIQODHCAHKRJI-OAQYLSRUSA-N 471.627 2.161 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@@H]1CCN(CC)C1)[C@H]1CCS(=O)(=O)C1 1705571097 VVILDZZIOXCSMX-MSOLQXFVSA-N 477.581 2.116 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCc1cccc(OCC)c1)[C@H]1CCS(=O)(=O)C1 1705572340 YBOUADRPURPYTP-PZJWPPBQSA-N 458.584 2.398 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCN(CC)C1 1705597650 MYEOPSFAEJZMDN-NHCUHLMSSA-N 470.618 2.391 30 10 JEEE C=C(Br)Cn1c(N2CC[C@@]3(CCS(=O)(=O)C3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1705692283 FFLTZXOFFJXOHU-RTBURBONSA-N 489.436 2.242 30 10 JEEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)C1CCCCC1 1705737433 QTXUUGWSTVNFBP-LJQANCHMSA-N 455.625 2.363 30 10 JEEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1705738878 NKVUFHLRCOPDPZ-GOSISDBHSA-N 452.563 2.431 30 10 JEEE C=CCCCn1c(N(C)C2CCN(S(C)(=O)=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1705823643 QXKXMKCHKWFZBR-OAQYLSRUSA-N 455.625 2.145 30 10 JEEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 1705829057 GAENIBYJXNRQHT-RTBURBONSA-N 471.537 2.361 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCc2nn(C)c(=O)cc2C1)C(C)C 1705869544 XSSORVSNCMGEGN-SIKLNZKXSA-N 467.618 2.137 30 10 JEEE C=CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1705885707 FOPAUGIAMHKROA-HSZRJFAPSA-N 451.531 2.148 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1705898298 HNQJTDGWLQTDMV-GUYCJALGSA-N 469.464 2.421 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(c2ncccn2)CC1 1705938212 QFRFQEOIXMVSHN-UHFFFAOYSA-N 497.625 2.191 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](c2cccc(F)c2)C1 1705938474 ZQCRJQOGNMJGQT-NRFANRHFSA-N 488.589 2.458 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCOC3(CCCCC3)C2)nnc1[C@@]1(OCC)CCOC1 1705938925 NHJKUYLPKWSFQR-JOCHJYFZSA-N 468.620 2.071 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1CCN1CCCC1 1706863671 AFOJZGCKYSOGJW-SFHVURJKSA-N 469.615 2.149 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2CCN2CCOC[C@H]2C)c1 1722306657 DCVGHFLDKGETHT-HXUWFJFHSA-N 473.581 2.041 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CCc2ccncc2)c1 1722306856 WFOOUCIMHIRNQK-UHFFFAOYSA-N 457.538 2.208 30 10 JEEE C#CCCCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1722319548 NQGBNPANGIQEFZ-FQEVSTJZSA-N 492.671 2.068 30 10 JEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@](C)(O)c1cc(C)oc1C 1722346069 LPZNUTGIIIQZPT-QHCPKHFHSA-N 471.583 2.382 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@H](c1ccc(F)cc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1722364273 FKBAZFRRSITMKC-XZOQPEGZSA-N 496.612 2.333 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H]1NC(=O)CC1(C)C 1722387994 NEVLPMYIFHDWGE-ROUUACIJSA-N 454.575 2.338 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCc2ccc(OC)cc2OC)CC1 1722432916 IXNSAQVYQNYXSF-SANMLTNESA-N 483.613 2.334 30 10 JEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2c(Cl)c(C(F)(F)F)nn2C)CC1 1722440001 ALUKASQONPGKPI-UHFFFAOYSA-N 495.941 2.349 30 10 JEEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1CCN(Cc2cccs2)CC1 1722631742 VOEGIMMKYXRXPU-INIZCTEOSA-N 452.650 2.484 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1CCN1CCOCC1(C)C 1722656986 NGHQAOKRMHNDID-OAQYLSRUSA-N 463.586 2.404 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1cccc(C#N)c1 1722726174 XUYQAJLLMKKFJC-UHFFFAOYSA-N 465.539 2.034 30 10 JEEE CC(C)NC(=O)Cn1c(CCc2ccccc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1723650372 CFFIVKLQMZEJIP-UHFFFAOYSA-N 458.570 2.181 30 10 JEEE CCC1(Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3c(C#N)c(C)nn3C)CC2)CCC1 1727342419 AZXRXXFIWRKEOY-UHFFFAOYSA-N 453.595 2.237 30 10 JEEE CCOC(C)(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCO[C@@H](C#N)C1 1728727057 HFFGNFLQTUQOCO-INIZCTEOSA-N 451.531 2.219 30 10 JEEE CNC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2nccn2C(F)F)C1 1729666422 HETBRUAQKUGMCE-MRXNPFEDSA-N 470.484 2.331 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2CCCC(=O)NC2CC2)c1 1740562626 MCLSZWGMOJGUKO-IBGZPJMESA-N 464.570 2.287 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccc(-n2cccn2)cc1)[C@H]1CCS(=O)(=O)C1 1740615372 CDPSPYMXKNMQHR-FQEVSTJZSA-N 452.584 2.436 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CCCc1nc(C)no1)[C@@H]1CCS(=O)(=O)C1 1740623998 BUEWBXAVGVFJRT-MRXNPFEDSA-N 490.536 2.098 30 10 JEEE C#CCN(c1nnc(CCCc2ccccc2)n1Cc1c(C)nn(C)c1C)[C@@H]1CCS(=O)(=O)C1 1740626782 YUPWOQCNHIMOFL-JOCHJYFZSA-N 480.638 2.479 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCNC(=O)C2CC2)CC1 1740701667 OEPQSMOIIKISPS-UHFFFAOYSA-N 454.962 2.091 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2CCNC(=O)[C@H](C)CCC)CC1 1740704065 JJVWYLRJQOUULW-LJQANCHMSA-N 450.587 2.463 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@](C)(O)[C@H](C)CC)CC1 1740707229 UTOKCPBSVDGXBG-WAIKUNEKSA-N 458.632 2.397 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)CC(=O)NC(C)C 1740755618 BKQJCBTVJQMPKV-XLIONFOSSA-N 489.646 2.180 30 10 JEEE C=C(C)COCCn1c(COc2ccc(F)cc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1740797514 QLXAIDLNBBRWET-UHFFFAOYSA-N 472.521 2.110 30 10 JEEE C=CCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1740843149 ZGCGIFMUFHAWLY-QGZVFWFLSA-N 451.579 2.395 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2cccc(C(=O)NC)c2)C1 1740972812 NCURYLSIPKJCHP-YKSBVNFPSA-N 455.559 2.119 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCCn2cc(Br)cn2)C1 1740979250 IFRYEDKTDASXNB-IAGOWNOFSA-N 478.395 2.450 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1740986789 HEXAESPHYYVFHA-FUHIMQAGSA-N 491.589 2.215 30 10 JEEE C=CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1741003271 QKLXMFIMNAOREZ-LPHOPBHVSA-N 479.628 2.228 30 10 JEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1741003386 SXHHUNGIOBFYSU-HXUWFJFHSA-N 496.747 2.094 30 10 JEEE CC(C)(O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1741256487 HQFIJKPMKSSNOS-UHFFFAOYSA-N 471.363 2.400 30 10 JEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2cc(COC(C)(C)C)on2)CC1 1748994429 GRQLZRRXQFXSSZ-UHFFFAOYSA-N 466.590 2.246 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(CCSC2)C1 1749118626 HPWOFIKWFQSIPF-PDOICOKGSA-N 455.650 2.203 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCN(CC)C1 1749538435 VZFDHGDPTDTIRT-FGZHOGPDSA-N 488.658 2.145 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC2(S(C)(=O)=O)CCCC2)C1 1749698608 UUGQIECEGFMQPQ-XMSQKQJNSA-N 468.620 2.069 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CC1(N(C)C)CCC1 1750962412 HYDNZTDARRFTPG-UHFFFAOYSA-N 464.618 2.489 30 10 JEEE Cc1nnc([C@@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCC(=O)NC(C)(C)C)CCO2)o1 1751864163 FDJULQLTMXJHON-SFHVURJKSA-N 464.530 2.391 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccccc1CN1CCC[C@H]1CO 1760096364 KOLOYCKHPJDZTJ-KNQAVFIVSA-N 473.581 2.388 30 10 JEEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1ncnn1CC(F)F 1760154821 JUBPVWZVTBWLFG-INIZCTEOSA-N 494.547 2.493 30 10 JEEE C#CCN(c1nnc(-c2ccc3ccccc3n2)n1C[C@@H](F)COC)[C@H]1CCS(=O)(=O)C1 1760183979 FTNMUAUMLZUKOX-MSOLQXFVSA-N 457.531 2.105 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC1(O)CCCCCC1)[C@@H]1CCS(=O)(=O)C1 1760186415 CMCIKRUAJFSBLH-MOPGFXCFSA-N 450.605 2.232 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCOc1ccc(Cl)cn1)[C@@H]1CCS(=O)(=O)C1 1760186815 GRAMVMWFQMJMKS-MSOLQXFVSA-N 479.990 2.274 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccc(OC)c(OC(F)F)c1)[C@H]1CCS(=O)(=O)C1 1760187718 LNESGVFQVOZMBM-IRXDYDNUSA-N 496.536 2.067 30 10 JEEE C#CCN(c1nnc([C@@H]2COc3ccccc3O2)n1CCOCCCC)[C@@H]1CCS(=O)(=O)C1 1760187859 YLEFIDNSIVYBEO-NQIIRXRSSA-N 474.583 2.234 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCc1cc(F)cc(F)c1)[C@@H]1CCS(=O)(=O)C1 1760192336 HVDQFCUQQZGYAP-WMQCIHAUSA-N 494.564 2.150 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CN(CC(C)C)CCO1 1760216223 GBKXPEYPPMTUNM-OAQYLSRUSA-N 497.669 2.058 30 10 JEEE C#CCN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCN1CCC(O)CC1 1760238639 DJSPVIWDZVAVMA-KDURUIRLSA-N 460.623 2.355 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H]2N(C)CCCC2(C)C)CC1 1760269770 OIQZQLYLVAINAE-LEWJYISDSA-N 456.635 2.258 30 10 JEEE C#CCSCCn1c(N2CCN(CC(F)(F)F)[C@H](C)C2)nnc1[C@@]1(OCC)CCOC1 1760286820 WDMMEEPVOFPXPT-VQIMIIECSA-N 461.554 2.369 30 10 JEEE C=C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1760381881 CPMKDHCHCFZGJL-IIBYNOLFSA-N 450.536 2.263 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1760412054 HMNPBRCDQAHEOD-QZTJIDSGSA-N 451.637 2.476 30 10 JEEE C=CC[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1)c1ccccc1 1760417611 GDQMTHXKIZJPPO-PBASOCQRSA-N 486.642 2.211 30 10 JEEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1760440844 RNUCIZVMLJLLCT-QYWGDWMGSA-N 451.593 2.250 30 10 JEEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1760526391 MTNZRHUYJNXTLE-UHFFFAOYSA-N 472.553 2.061 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@]2(N(C)C)CCSC2)C1 1760538934 WULCEJHNSVZMAJ-COPCDDAFSA-N 451.637 2.149 30 10 JEEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCC(F)(F)F)nc1 1761362500 COKCKSBZWCWKOW-HIFRSBDPSA-N 472.493 2.303 30 10 JEEE CCCN(CC)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1765990659 GPXHBKQJXANRTG-UHFFFAOYSA-N 476.585 2.117 30 10 JEEE CNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCn2cc(Cl)cn2)CC1 1767699067 FKNNRXJZFIFQPO-UHFFFAOYSA-N 468.949 2.241 30 10 JEEE CN(C)CCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1862603139 RQRRYTCWTHNXCZ-HXUWFJFHSA-N 469.450 2.212 30 10 JEEE COc1ccc(OC)c(NC(=O)[C@H](CO)NC(=O)C2CCN([C@@H](C#N)c3cccs3)CC2)c1 1866866449 HSEDATFFQKZGCG-OALUTQOASA-N 472.567 2.158 30 10 JEEE N#C[C@H](c1cccs1)N1CCC(C(=O)N[C@H](CO)C(=O)Nc2cc(Cl)ccc2O)CC1 1866868013 RNLWAWDOZGCFNA-IAGOWNOFSA-N 462.959 2.500 30 10 JEEE C[C@H](c1ccccc1)N1C[C@H](C(=O)Nc2c(C#N)nnn2-c2ccc(N3CCN(C)CC3)cc2)CC1=O 1870149756 OWZKXOJPGAMADH-TZIWHRDSSA-N 498.591 2.439 30 10 JEEE C=CCn1cc(OCC(=O)OCCOc2ccccc2)c(=O)cc1CN1CCN(CC)CC1 1870328624 HWCDXPMRVJDGLA-UHFFFAOYSA-N 455.555 2.173 30 10 JEEE COc1ccc(/C=N/n2c(COc3ccccc3OC)nnc2SCC(N)=O)cc1OC 1874289794 XCLAFAPKBISWBS-FOKLQQMPSA-N 457.512 2.343 30 10 JEEE CC1(C)OB([C@@H]2[C@@H]3CN(S(=O)(=O)C[C@@](C)(F)CN4C(=O)c5ccccc5C4=O)C[C@@H]32)OC1(C)C 2046025333 IMHLKAUZEQGVMS-FXKZBUDASA-N 492.378 2.365 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1CCC[C@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2256623177 BNZCGKIQIVDQIY-CHWSQXEVSA-N 452.386 2.139 30 10 JEEE CCn1cc(C(=O)N[C@H](CNC(=O)OC(C)(C)C)C(C)C)nc1B1OC(C)(C)C(C)(C)O1 2267184424 MOFILCRRCMCOIB-OAHLLOKOSA-N 450.389 2.481 30 10 JEEE CN([C@@H]1CC[C@H]1OCc1ccccc1)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2267368781 NXBQOWLHZBIIEI-QZTJIDSGSA-N 461.393 2.088 30 10 JEEE C[C@@H]1C[C@@H](NC(=O)C(F)(F)F)CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2267717919 LDOUWGBBAVACJD-DGCLKSJQSA-N 482.355 2.125 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2F)[C@H](O)C1 2281761089 BHYGVUGTEKMKDL-ZWKOTPCHSA-N 464.343 2.225 30 10 JEEE CC1(C)OB(c2c(F)cccc2C(=O)NC[C@H]2CNCCN2Cc2ccccc2)OC1(C)C 2281786656 WNGPAJOYHZJCKI-LJQANCHMSA-N 453.367 2.329 30 10 JEEE Cn1nc(C(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccco2)cc1B1OC(C)(C)C(C)(C)O1 2281981600 OFBROPHRJKNSKU-HNNXBMFYSA-N 460.340 2.308 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC(CCNC(=O)OC(C)(C)C)CC1 2282044863 XADJIIMZDDZTSV-UHFFFAOYSA-N 462.400 2.486 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CN(Cc2ccccc2)CC(F)(F)C1 2282048956 SARNOMWZHOFNMT-QGZVFWFLSA-N 460.334 2.359 30 10 JEEE CN(C)CCCN(CCNC(=O)OC(C)(C)C)C(=O)c1occc1B1OC(C)(C)C(C)(C)O1 2282051045 QZAIXEBZDMWOPY-UHFFFAOYSA-N 465.400 2.497 30 10 JEEE C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)CCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2282052722 CAZOTKDAKJJWBM-CVEARBPZSA-N 462.400 2.485 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C2CC2)n1 2282532989 FYNCZJWUSJTYER-AEFFLSMTSA-N 460.384 2.237 30 10 JEEE Cc1c(C(=O)NC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282545023 PQCPIKNHBWKFFE-INIZCTEOSA-N 462.400 2.405 30 10 JEEE Cc1nn(C)c(C(=O)N2C[C@H](F)C[C@@H]2CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2282573028 UDUZCASOTGLILY-HUUCEWRRSA-N 466.363 2.105 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C12CC2 2282588001 CKDBHRUEWJRZKI-HNNXBMFYSA-N 460.384 2.300 30 10 JEEE C[C@@H]1CCC[C@@H](CNC(=O)OC(C)(C)C)N1C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2282616764 BIUPQBQADODDLE-CABCVRRESA-N 463.388 2.022 30 10 JEEE CC(C)(C)OC(=O)N[C@@]1(CO)CCCN(C(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282664268 AOCDBZHJVSRYMJ-DEOSSOPVSA-N 460.380 2.478 30 10 JEEE Cc1ccc(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 2282679614 BYCHARQRFWHURB-LPHOPBHVSA-N 460.380 2.252 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]2[C@@H]1CNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282832425 OVLJFRJDXISWET-LZWOXQAQSA-N 499.464 2.117 30 10 JEEE Cc1cc(S(=O)(=O)N2CC[C@@H](C)[C@H](NC(=O)C(F)(F)F)C2)sc1B1OC(C)(C)C(C)(C)O1 2282840877 KCUYZXSHFDGURX-DGCLKSJQSA-N 496.382 2.433 30 10 JEEE CC(C)(C)OC(=O)NCCn1cc(C(=O)NCc2ccc(B3OC(C)(C)C(C)(C)O3)s2)nn1 2283967292 AZFVIIBDCZIMDH-UHFFFAOYSA-N 477.396 2.094 30 10 JEEE CCO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2283969749 QXJDPCDSBWIBER-HUUCEWRRSA-N 481.424 2.331 30 10 JEEE C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(F)c(B2OC(C)(C)C(C)(C)O2)c(F)c1 2341180169 XWLNLJRYLAGXBF-BDJLRTHQSA-N 456.295 2.477 30 10 JEEE C=CCn1c(COC)nnc1SCC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)CC)cc1 20426149 HWOHVAYPINATJH-AWEZNQCLSA-N 453.590 2.418 30 10 JEEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)n1c(=O)oc2cc(S(=O)(=O)N(C)C)ccc21 502701029 GMTNSYNCTMSBNF-OAHLLOKOSA-N 472.523 2.361 30 10 JEEE C=CCCCNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2OC)CC1 1156734792 HZRWZNLJUAVVDS-UHFFFAOYSA-N 457.980 2.044 30 10 JEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 1286325559 YZLDPELWPJFUMV-QUCCMNQESA-N 463.648 2.361 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCCN(CC(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1286395065 QQZVMTYWPITYPO-BHDDXSALSA-N 477.675 2.167 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1286404822 XLEYRKBXECYBKF-LEWJYISDSA-N 497.621 2.239 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H](C(C)C)N2CCOCC2)CC1 1286474105 AMEDCZLMAYTLAZ-HXUWFJFHSA-N 458.010 2.106 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCOCCCC)CC1 1286489027 CEXAWHGBFUKEBT-UHFFFAOYSA-N 453.543 2.456 30 10 JEEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1286508145 OGEKEGNNEORCMO-OAQYLSRUSA-N 457.629 2.486 30 10 JEEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCSC2(CCOCC2)C1 1286514708 NDYMJXQJQMNSRM-ROUUACIJSA-N 452.646 2.471 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CCC(C)(C)C)CC1 1286549514 XSPASYRZOBWNBA-ZCNNSNEGSA-N 482.695 2.428 30 10 JEEE C=CCC(C)(C)Cn1c(COc2ccccc2OCC)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1286675858 DOZMSOFLGJTOJJ-GOSISDBHSA-N 482.585 2.005 30 10 JEEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(-n2nc(C)cc2C)nc1)C1CC1 1286732525 VLQQYKGVGCTUIV-KRWDZBQOSA-N 470.603 2.289 30 10 JEEE CC(=O)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCNC(=O)C2CCC2)CC1 1286867985 FQDZVIOOFOPALU-UHFFFAOYSA-N 479.585 2.094 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc(Cc2cn3ccccc3n2)n1CCNS(=O)(=O)c1ccccc1 1286967441 GWAIATIRWYBDJW-SFHVURJKSA-N 478.582 2.091 30 10 JEEE CC[C@H](C)c1nnc(N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)n1CC(=O)N(C)C 1291599173 GQCKNMAOKDNGIF-HNNXBMFYSA-N 452.519 2.326 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2cc(F)ccc2N2CCOCC2)s1 1293682778 SJEKHSTXFNBFGR-UHFFFAOYSA-N 453.561 2.047 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCO[C@H]1C(=C)C)[C@H]1CCS(=O)(=O)C1 1300489935 WFMNZAIVHYFMNW-FKBYEOEOSA-N 465.579 2.425 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)c1nc(-c2ccccc2)no1 1300557226 RDCVHTKZIFHWJR-MSOLQXFVSA-N 481.582 2.205 30 10 JEEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1300618516 HKUABRYRYSYJLX-RTBURBONSA-N 473.647 2.197 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCN2CCc3ccccc3C2)CC1 1300683273 YVVQPAGRNMCLKO-UHFFFAOYSA-N 463.630 2.010 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2CC2(N(C)C)CCCC2)CC1 1300731773 USBGKVLBUXFMMA-UHFFFAOYSA-N 497.669 2.110 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCc1cccc([N+](=O)[O-])c1 1300763077 MXWPCEQGTCUFOB-QGZVFWFLSA-N 463.585 2.134 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccn2C)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1300880625 JGTNCFKEMQWCFI-REWPJTCUSA-N 469.634 2.255 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1300891171 JTKPRBOGOCCQLT-GJZUVCINSA-N 496.656 2.263 30 10 JEEE C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)CCc2ccc(OC)cc2)CC1 1300925837 GJLFLTXLPXHWGR-UHFFFAOYSA-N 466.586 2.380 30 10 JEEE C=CCCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1301186235 UUQNDTONAGCFPC-INIZCTEOSA-N 471.587 2.468 30 10 JEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](c2ccnn2C)C1 1301187943 FNZZMRUOUHRKIF-ICSRJNTNSA-N 477.635 2.085 30 10 JEEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CC(F)(F)CO1 1301422740 VNQLFTVKIGJGPR-OAHLLOKOSA-N 460.485 2.255 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N(C)CC1CCOCC1 1301575168 CNQNWSPIGUSFCJ-UHFFFAOYSA-N 472.409 2.499 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCC(OC(C)C)CC1 1301592873 FSVBCUKIOTVWLD-UHFFFAOYSA-N 450.609 2.134 30 10 JEEE CSC1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(CCC#N)CC2CC2)CCC1 1302611226 FTYOQDDNNWZHRM-QGZVFWFLSA-N 468.649 2.027 30 10 JEEE CC(C)n1nc(-c2nnc(N3CCC(C#N)CC3)n2CCS(C)(=O)=O)c2ccccc2c1=O 1303317925 FJCXKAGLEHCJEV-UHFFFAOYSA-N 469.571 2.020 30 10 JEEE C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)[C@H](c1ccccc1)N(C)C 1312656796 DBMTWJHXASRYHK-XMSQKQJNSA-N 455.584 2.266 30 10 JEEE CO[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1315155734 IFBDGACJRKOXBY-MRXNPFEDSA-N 461.526 2.393 30 10 JEEE CS(=O)(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC[C@@H]2CCCCO2)CC1 1316354053 DQAAXGNLOYIKNL-FQEVSTJZSA-N 458.588 2.248 30 10 JEEE C#CCCCn1c(N2CCN([C@@H](C)c3nc(CC)no3)CC2)nnc1[C@]1(OCC)CCOC1 1358936471 OJWIHECZZHVBIH-MBSDFSHPSA-N 457.579 2.172 30 10 JEEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C)[C@@H]1CCS(=O)(=O)C1 1358961718 DLGCSCKMWUBOKX-NCXUSEDFSA-N 491.658 2.086 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@@H]1CCC[C@H](O)C1)[C@H]1CCS(=O)(=O)C1 1358967886 VBBDEFUTSRGWCS-HOJAQTOUSA-N 476.574 2.174 30 10 JEEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCc1cccc(C(N)=O)c1 1358992998 CHHKZPXIBQNJCR-UHFFFAOYSA-N 482.592 2.257 30 10 JEEE C#CCN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(CS(C)(=O)=O)cc1 1359001072 LHYVXNLQHFZZFT-HSZRJFAPSA-N 460.600 2.371 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@@H](C)N2CCOCC2)CC1 1359031460 CJGOCUHUOYZDBO-LJQANCHMSA-N 487.446 2.492 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCCn2ccnn2)CC1 1359041178 OZPQPHQULBIFSL-SFHVURJKSA-N 480.548 2.205 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2Cc2ccc(C(=O)NCC)cc2)CC1 1359044829 POPURQMUCIHTKS-JOCHJYFZSA-N 478.597 2.284 30 10 JEEE C=C(Br)Cn1c(-c2ccccc2OC)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1359081180 RQEDKGIPBCWDLN-UHFFFAOYSA-N 475.347 2.383 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCOC2)n1CCS(=O)(=O)N1CCSCC1 1359264080 UDIZUALITWPSBV-QGZVFWFLSA-N 483.685 2.415 30 10 JEEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1Cc1ccc(C(C)(C)O)cc1 1503108108 CJXIFRQTEIRMHO-GOSISDBHSA-N 476.585 2.467 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1cc(C(C)(C)C)no1)[C@@H]1CCS(=O)(=O)C1 1507633600 UDSLMZNCSZDEMS-SJLPKXTDSA-N 461.588 2.480 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1CC1(C(=O)NCC)CCC1 1507643939 WWSICYPSUPKCEF-UHFFFAOYSA-N 457.376 2.425 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1CC=CCO1 1507660826 DWDZCNOYLVBVPH-LJQANCHMSA-N 452.584 2.355 30 10 JEEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](c2ccccc2Cl)N(C)C)CC1 1507727213 OTNIQXQQWRKKHL-OAQYLSRUSA-N 470.021 2.112 30 10 JEEE C=CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)COC)CC1 1507933677 AGMNGICNOLHMNC-LJQANCHMSA-N 492.621 2.238 30 10 JEEE C=CCCOCCn1c(CNC(=O)c2cccs2)nnc1N1CCOC2(CCOCC2)C1 1507964547 CBNZYDWJJKLINL-UHFFFAOYSA-N 461.588 2.248 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCS(=O)(=O)C1 1507997752 XLEJCWZXJLHOTK-FQEVSTJZSA-N 491.577 2.424 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCOC(C)(C)C1 1507998977 KDSBJULRWVRSSX-JOCHJYFZSA-N 498.653 2.355 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1508145388 ZYSMFYCJHJWTHR-CQSZACIVSA-N 465.523 2.002 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCc2cc(F)cc(F)c2C1 1508146709 BFXZZKGWGLRBPZ-JXFKEZNVSA-N 482.553 2.444 30 10 JEEE C=CCSCCn1c(-c2cccnc2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1508154045 SOEQXFFBBIZUDX-JOCHJYFZSA-N 471.675 2.491 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccn(-c2ccc(F)cc2)n1 1508421625 BXJHVWIPZXMDOH-DLBZAZTESA-N 471.562 2.344 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@H]2OCCC2(C)C)c1 1539038445 PDKSBILVEBOAIO-HXUWFJFHSA-N 464.570 2.385 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2C[C@H](C)CN2CCOCC2)c1 1539040539 VYJWNQIIHQDKCH-LJQANCHMSA-N 461.570 2.298 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccc(OC(C)C)nc2)CC1 1539429003 YZONNLUFBAGYEL-UHFFFAOYSA-N 453.591 2.182 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1539490769 HUXJJBIDWFPVPD-SFHVURJKSA-N 461.613 2.137 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1539491699 RZLNJIWSAALHEI-UHFFFAOYSA-N 471.587 2.206 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCCn1cc(CO)nn1 1539533750 GUZUKYZDCCZUCN-XMMPIXPASA-N 462.558 2.313 30 10 JEEE C=C(Br)Cn1c(N2CC[C@@H]3OC(=O)O[C@@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1539609611 QJZLYAQQFMSVAS-IYOUNJFTSA-N 457.325 2.341 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@H](CNC(C)=O)C1 1539624990 XQOFAJVFFYSLPL-NOXFTYBFSA-N 485.585 2.285 30 10 JEEE C=C(C)COCCn1c(-c2ccccc2OC)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1539743799 RWOYRAJMMSRLQL-UHFFFAOYSA-N 454.531 2.067 30 10 JEEE CC(C)CN1CCC[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCS(=O)(=O)CC2)C1 1541552796 FHHIKSGNIPOLKY-FQEVSTJZSA-N 456.616 2.420 30 10 JEEE CN(C)[C@@]1(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC(CC#N)CC2)CCSC1 1552794910 FYDIXXWXKZXHMB-JOCHJYFZSA-N 454.604 2.493 30 10 JEEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC1CCN(CC(F)F)CC1 1556850991 CGDVYFHKIXTAIP-QGZVFWFLSA-N 456.559 2.233 30 10 JEEE CS(=O)(=O)Nc1cccc(C(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)c1 1557389357 DTSLJTGMRPBKHF-UHFFFAOYSA-N 450.524 2.282 30 10 JEEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N2C[C@H](O)C[C@H]2CO)c1 1567861844 IODDHAZLWBRXDB-DLBZAZTESA-N 450.944 2.289 30 10 JEEE CCC(CC)(CNC(=O)OC(C)(C)C)NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 1586225119 GJUYJNFHQQKTEO-OAHLLOKOSA-N 452.577 2.425 30 10 JEEE C#CCCCCn1c(Cc2csc(C)n2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1587777660 MMFMSIFLQMQUIQ-UHFFFAOYSA-N 450.634 2.203 30 10 JEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccc1N1CCOCC1 1587856592 NNOUVKWNCQDLHH-HXUWFJFHSA-N 457.600 2.067 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(C)(C)C(=O)NC 1589216782 XCTJLMRKLIGKGN-MZNJEOGPSA-N 474.606 2.351 30 10 JEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccc(C(=O)N(C)C)c2)CC1 1594194018 UWURPNMKTRUERH-MRXNPFEDSA-N 460.604 2.041 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(N(C)C)CCC[C@H](C)C1)C1CC1 1595058498 NUAXUNKGQWUHSB-LEDOBFOHSA-N 480.679 2.276 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(C)COCCO1 1595303367 RIKUXLGHMNYJEN-WZONZLPQSA-N 481.594 2.031 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCCOCC1 1595798409 PCHDZALVXBFRSP-UHFFFAOYSA-N 483.635 2.220 30 10 JEEE C=CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(C)C(=O)[C@@H]1C 1595877837 BKDBMYSODVVPDF-KRWDZBQOSA-N 456.620 2.038 30 10 JEEE CC(C)CN1CCC[C@H](Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCO[C@@H](C#N)C2)C1 1607447913 BZCUZHDINSDFGU-FPOVZHCZSA-N 486.642 2.445 30 10 JEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCn3c(Cc4ccccc4F)nnc3C2)c1 1628522250 FVIWQSMRGTULPR-UHFFFAOYSA-N 452.511 2.461 30 10 JEEE C#CCn1ccc(CN(CCOC)C(=O)NCc2cc(OC)c(O)cc2Br)n1 1636691197 QQFSGRCBSDSVFJ-UHFFFAOYSA-N 451.321 2.351 30 10 JEEE CCCCn1c(N)c(N(CC)C(=O)CN2CC=C(c3ccc(C#N)cc3)CC2)c(O)nc1=O 1645153490 FIZMUAPQTPIXNT-UHFFFAOYSA-N 450.543 2.345 30 10 JEEE COc1cc(NC(=O)CNS(=O)(=O)c2cc(Br)ccc2C#N)cc(OC)c1 1654444910 BVSRVGOOYCQAER-UHFFFAOYSA-N 454.302 2.255 30 10 JEEE COC(=O)[C@@H]1CN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C[C@@H]1c1ccccc1 1654649321 DBOOITUKQRFPST-NJYVYQBISA-N 452.580 2.346 30 10 JEEE C=C(C)C[C@H](NS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)cc1)C(=O)OC 1656406671 XLQZKXQDFKTZPO-BXWFABGCSA-N 458.602 2.139 30 10 JEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](C)N(Cc2ccccc2)CC1 1689912804 AZTVUFHOMVENDN-PMACEKPBSA-N 458.632 2.403 30 10 JEEE C#CCN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1[C@@H]1C[C@H]1CF)[C@H]1CCS(=O)(=O)C1 1689980765 XBIQSGCLTVUBBH-RYQLBKOJSA-N 479.965 2.019 30 10 JEEE C#CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1[C@@H]1C[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1689998215 FWSJCOYITDBTCK-UYTYNIKBSA-N 463.604 2.256 30 10 JEEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1C[C@H](c1cccs1)N1CCOCC1 1690003820 YZDZYDLLEKIDCI-YKSBVNFPSA-N 469.611 2.138 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccccc1Cl)N(C)C 1690032692 HFBAMESFBBLQEF-PXNSSMCTSA-N 477.034 2.308 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(O)CCN(C(C)C)CC1 1690034374 FTTHKFWRGVCBMP-RUZDIDTESA-N 457.619 2.017 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(C)CN(C2CC2)C1=O 1690077461 PBRGKYLRYNMSIR-UUOWRZLLSA-N 472.590 2.057 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H](c2ccsc2)N(C)C)CC1 1690110476 NUGWPGOEVXFZTN-FQEVSTJZSA-N 457.648 2.316 30 10 JEEE C#CCN1CCN(c2nnc(CSc3ccccc3OC)n2C[C@@H]2CCCCS2(=O)=O)CC1 1690135225 SFOOJYSNOOXSGQ-IBGZPJMESA-N 489.667 2.302 30 10 JEEE C#CCSCCn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1690163948 WWGZWDJPABUTFX-QGZVFWFLSA-N 454.021 2.483 30 10 JEEE C#CCSCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCN(C(C)=O)C[C@H]1C 1690181262 RXMMDWIEEJBWNK-JOCHJYFZSA-N 495.697 2.066 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1690237894 BUBHGOOCYDJHTO-YHELAOLJSA-N 460.579 2.295 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 1690288348 STAIMLDCCHXENB-GOSISDBHSA-N 498.650 2.023 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCN(C)C(C)(C)C1 1690577774 MLQISKHQOXXLSW-IBGZPJMESA-N 492.715 2.460 30 10 JEEE C=CCNC(=O)Cn1c(Nc2cnn([C@@H]3CC3(F)F)c2)nnc1-c1cccc(S(C)(=O)=O)c1 1690678287 QWQFOPUABCVUJD-MRXNPFEDSA-N 477.497 2.171 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2OC)nnc1N1CCN2CCCC[C@@H]2C1 1690730174 ZICVUYMNWCQBPI-LJQANCHMSA-N 475.615 2.141 30 10 JEEE CC(C)N(CCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C)C(C)C 1693745627 GSVJJDTZHWLLGL-WOJBJXKFSA-N 494.648 2.115 30 10 JEEE CCO[C@@]1(c2nnc(N3CCN(c4ccccc4C#N)CC3)n2CCC(=O)N[C@@H](C)CC)CCOC1 1696079166 BQGGQECQBKUABU-FNZWTVRRSA-N 495.628 2.433 30 10 JEEE CCOC1CC(O)(Cn2c([C@@H](C)CC)nnc2N2CCN(c3nccnc3C#N)C[C@@H]2C)C1 1696194213 GYPXVUICKYJNIT-JMAUMYITSA-N 454.579 2.098 30 10 JEEE CN(C)C(=O)COc1cccc(Cn2c(Cc3cccnc3)nnc2N2CC[C@](F)(C#N)C2)c1 1696594173 HQIYQOAXNXJTHM-DEOSSOPVSA-N 463.517 2.221 30 10 JEEE C#CCCCCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1705512938 USPFHPDPXQVKDT-UHFFFAOYSA-N 459.572 2.338 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H]1CC[C@@](C)(CC)O1)[C@@H]1CCS(=O)(=O)C1 1705568944 AZKSVFCHTUYRII-ZRCGQRJVSA-N 457.600 2.238 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@@](C)(O)c1ccco1)[C@@H]1CCS(=O)(=O)C1 1705570398 MVUJFOGKNZLOKC-WZONZLPQSA-N 472.542 2.135 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CCCN1CCCO 1705581408 ATVAQWNJCJZDCO-FGZHOGPDSA-N 484.645 2.312 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(C(=O)N3CCCC3)n2Cc2cscc2C)n1 1705630912 LMTHEVOJJRUCDJ-UHFFFAOYSA-N 467.599 2.415 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C2CCCCC2)N(C)C)CC1 1705632037 GGKRYUNQLAQYFN-NRFANRHFSA-N 464.618 2.191 30 10 JEEE C=C(Br)Cn1c(N(C)CCNC(=O)C(C)C)nnc1[C@@]1(OC(C)C)CCOC1 1705690872 KBMFQYTVBMAUBJ-LJQANCHMSA-N 458.401 2.436 30 10 JEEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)Cc2ccccc2C)CC1 1705819915 WZKOJKPQJNKFMS-NRFANRHFSA-N 471.627 2.346 30 10 JEEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1nc(O)c2sccc2n1 1705825375 RVJSOCJLJKFMOP-UHFFFAOYSA-N 457.560 2.454 30 10 JEEE C=CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(S(C)(=O)=O)CCC1)C1CC1 1705850362 QRYJYUMLHHYINB-UHFFFAOYSA-N 464.613 2.471 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](c2ccc(F)cc2)O[C@H](C)C1 1705908676 GSIXIDWELBDMJR-BUBGKSFDSA-N 473.549 2.410 30 10 JEEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 1705938172 PFVUZSHGNNARSW-UHFFFAOYSA-N 499.996 2.170 30 10 JEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](CN2CCCCC2)C1 1705946617 MLGYZHKTFDSHHP-RBUKOAKNSA-N 453.678 2.412 30 10 JEEE C=CCSCCn1c(N2CCN(C(=O)NC)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705949747 HVZNLOUZRRTXHL-CALCHBBNSA-N 479.651 2.429 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccn(-c2ccc(F)cc2)n1 1722295763 MBZIYMDJKRIJBE-SJORKVTESA-N 456.547 2.206 30 10 JEEE C#CCN(c1nnc(C(C)C)n1Cc1ccc(C)cc1OCCOC)[C@H]1CCS(=O)(=O)C1 1722358513 IYOVAXOTTSSKQQ-FQEVSTJZSA-N 460.600 2.410 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1722392138 IBZAJSHAPSGJIH-XZOQPEGZSA-N 476.606 2.484 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(SC)CCN(C)CC1 1722406053 JYYHYTPWHZDEDF-UHFFFAOYSA-N 490.699 2.482 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2C[C@]2(N(C)C)CCSC2)CC1 1722444763 FMBQZQPUEYXMPS-XMMPIXPASA-N 470.618 2.487 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2CC2(C(=O)NCC)CCC2)CC1 1722445045 JWADJOHLRJODDW-UHFFFAOYSA-N 466.561 2.356 30 10 JEEE C=CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1722685812 NOYHSNFBBOVTJA-NRFANRHFSA-N 454.575 2.357 30 10 JEEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(C)(COC)CC1 1722697877 SMPXMFIMNXUACS-UHFFFAOYSA-N 451.531 2.149 30 10 JEEE C=CCNC(=O)Cn1c(Cn2ccc3ccccc32)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1722702570 PXPBRAHXYWRCFV-HXUWFJFHSA-N 463.586 2.326 30 10 JEEE Cc1cscc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(C#N)C1 1725141286 BEKODRURVGSGTJ-FXAWDEMLSA-N 464.617 2.159 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCC)[C@H]1CCS(=O)(=O)C1 1740627193 FFZMASYPXUBGMB-IRXDYDNUSA-N 451.593 2.387 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1740627481 QSVLDIYFOLEKKY-NMLBUPMWSA-N 464.632 2.250 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(C[S@@](C)=O)cc1 1740646630 GPJCZLZKZCKROY-GPNASLBKSA-N 454.596 2.320 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(F)ccc2Br)n1C[C@@H]1CCS(=O)(=O)C1 1740680422 BDMYUIOIINSJGB-AWEZNQCLSA-N 485.379 2.367 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@]1(O)CCSC1 1740683649 CAKDQWDXRPHSQI-DEOSSOPVSA-N 482.610 2.190 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H](C)N1CCC[C@H](C)C1 1740683684 CMNLQOLKTRCDLS-VQTJNVASSA-N 477.613 2.398 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCC[C@@H]2C)n1 1740688824 KGWPOPSCWOBYLX-XUVXKRRUSA-N 474.631 2.099 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3)n2CC2([S@@](C)=O)CC2)CC1 1740698967 XLYZKXFVTONCKF-MUUNZHRXSA-N 462.417 2.374 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H]2CCN(CC)C2)CC1 1740701092 UGQSQDNMAZZJKW-NJYVYQBISA-N 471.650 2.146 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCc2scnc2C)CC1 1740703409 RJEQTBSDUJXUGN-DEOSSOPVSA-N 486.642 2.292 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2Cc2cccc(NC(C)=O)c2)CC1 1740704146 IQDJTUGCRGCUEB-UHFFFAOYSA-N 457.538 2.313 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@@H]2CCOC2)CC1 1740704288 NBTNXZVWNRUAPV-SFHVURJKSA-N 467.570 2.355 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CCn2cc(Br)cn2)CC1 1740705505 IQMLAYXQEGXEGC-UHFFFAOYSA-N 497.401 2.274 30 10 JEEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(c2cc(OC)cc(OC)c2)CC1 1740778706 BDDKNMBPWZTKFZ-KRWDZBQOSA-N 478.619 2.198 30 10 JEEE C=CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1)c1ccccc1 1740855089 UDDXUDLEDIBTIT-WZGPROSRSA-N 475.571 2.362 30 10 JEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(c2nnc3n2CCCC3)CC1 1740868142 FKWMQAYUESAWIQ-INIZCTEOSA-N 462.624 2.166 30 10 JEEE C=CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCS(=O)(=O)CC1 1740874817 IDYRTSSTBSFGMA-UHFFFAOYSA-N 456.572 2.266 30 10 JEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccc(F)cc2)CC1 1740876179 FBARGHREJNERGK-HXUWFJFHSA-N 478.594 2.043 30 10 JEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCc1ccc(Br)cc1 1740946565 AACVDVDLTPVBJE-KRWDZBQOSA-N 484.420 2.238 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1740955920 IPXLTXPGKRLCDB-NRFANRHFSA-N 479.629 2.079 30 10 JEEE C=CCS(=O)(=O)CCn1c(CSc2ccc(C)cc2)nnc1N1CCN(C(=O)NCC)CC1 1740994196 OGXPCJBBCMBHEE-UHFFFAOYSA-N 492.671 2.331 30 10 JEEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1741003120 OWYKHKWHDQSART-NRSPTQNISA-N 462.664 2.080 30 10 JEEE CC(=O)N1CCN(c2nnc(-c3cccc(Cl)c3)n2CCN/C(O)=C2/N=CC=CC2=O)[C@H](C)C1 1741044070 YHUHQWLTHKMWHZ-BQHWHHKNSA-N 483.960 2.182 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1Cc1ccc(N(C)C)nc1)[C@H]1CCS(=O)(=O)C1 1748820078 YRKIBPYYCJQSEI-NRFANRHFSA-N 494.621 2.014 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCSCc2ccccc2F)CC1 1748990561 YPHAFCJTUSIYCY-IBGZPJMESA-N 477.631 2.008 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCC(=O)N[C@@H](C)CC 1749064784 JWXXSSUELOWCLJ-SSOJOUAXSA-N 461.570 2.489 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H]1COc2ccccc2O1 1749229285 IRBFHKUTQBQPIT-ROUUACIJSA-N 462.572 2.049 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1749663894 BHNPDKPKEWHPMP-SFHVURJKSA-N 470.574 2.286 30 10 JEEE N#Cc1ccc(-c2nnc(N3CCN(CC(F)(F)F)CC3)n2C[C@@]2(O)CCSC2)cc1 1750382075 AXTUUCBVBWQELO-IBGZPJMESA-N 452.506 2.369 30 10 JEEE C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(O)(C(F)(F)F)CC1)N1CCOCC1 1751122391 HILODAVGBCQWJR-MRXNPFEDSA-N 464.492 2.431 30 10 JEEE CC[C@@H](C)[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NC(=O)COC)CC1 1752548463 GALFBJCPNQSTEE-MZNJEOGPSA-N 454.575 2.345 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1760099554 IITLTWOXFGNETE-XLNZFTOWSA-N 468.606 2.277 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2Cc2csc([C@H](C)OC)n2)c1 1760128616 NRYZNJJBCUCMJB-HNAYVOBHSA-N 493.593 2.498 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1CCOCC(F)(F)C(F)F)[C@@H]1CCS(=O)(=O)C1 1760186571 OVYLIBQTZPNKIL-CQSZACIVSA-N 468.517 2.410 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1CC1(N(C)C)CCCC1)[C@@H]1CCS(=O)(=O)C1 1760189981 MXTSOAGECFBLFU-OAQYLSRUSA-N 485.654 2.379 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1CCc1ccc(S(C)(=O)=O)cc1 1760211488 INLTWRSYUXYSAR-XMMPIXPASA-N 470.595 2.039 30 10 JEEE C#CCN(CC#CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1Cc1nncn1C 1760219142 WEIDNOGUAXHWDG-UHFFFAOYSA-N 452.563 2.032 30 10 JEEE C#CCN(CC#CC)c1nnc(Cc2ccncc2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1760221182 MQHZPDHVUAMPNT-NRFANRHFSA-N 455.566 2.395 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CCc2ccc(OC)c(OC)c2OC)CC1 1760259327 KOABECVFTFJXAC-HXUWFJFHSA-N 469.586 2.196 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(C)c(OC)c2)CC1 1760265197 RFNOYFGCHRVGOU-UHFFFAOYSA-N 487.564 2.257 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H](CC(C)C)NC(=O)OCC)CC1 1760273057 GZNNLENXWKFBSO-WOJBJXKFSA-N 474.606 2.256 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N(CC)CCS(C)(=O)=O 1760324141 IUZCLSFQRPGFKL-QFBILLFUSA-N 453.634 2.486 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC(C(=O)NCCCOC)CC1 1760336117 VCJVNXBPSYYZBG-FPOVZHCZSA-N 471.606 2.029 30 10 JEEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 1760373912 DWRXWSWTRZMINF-YJBOKZPZSA-N 470.039 2.408 30 10 JEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](CN2CCC(C)CC2)C1 1760527017 XFKIPVNHUDPOJO-QFIPXVFZSA-N 468.650 2.390 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(c2ncccc2F)CC1 1760528165 UGDSSACSPWERJZ-UHFFFAOYSA-N 469.496 2.159 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1760553025 JMNXDPVGZRWADX-HXUWFJFHSA-N 467.599 2.441 30 10 JEEE CN(C)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1)C1CCCCC1 1766893817 HLRGLYRYNBOAAY-WAOWUJCRSA-N 452.600 2.133 30 10 JEEE CN(C[C@@H]1CCOC1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCS(=O)(=O)C1 1767247815 DHZMKRPWVKBWCX-OALUTQOASA-N 459.572 2.026 30 10 JEEE CO[C@@H](C)c1nc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCS(=O)(=O)CC2)cs1 1769542921 HLCWCQZKMXVYGE-AWEZNQCLSA-N 458.569 2.264 30 10 JEEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1cc(C)ccc1O 1865722991 FKZJHUWVUCRCDT-SFHVURJKSA-N 470.570 2.269 30 10 JEEE CCCc1nc(Nc2ccc(C#N)cc2)cc(N2CCN(C(=O)CCN3CCOCC3)CC2)n1 1868401272 UUVBSMPSZLJRLR-UHFFFAOYSA-N 463.586 2.415 30 10 JEEE Cc1ccc(Cn2nnc(C#N)c2NC(=O)CCCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 1870111076 XBDRFWGHVJPMHL-UHFFFAOYSA-N 473.449 2.430 30 10 JEEE CC(=O)Nc1cccc(CCC(=O)Nc2c(C#N)nnn2-c2ccc(N3CCN(C)CC3)cc2)c1 1870155151 YCPXQHPXRCVZFA-UHFFFAOYSA-N 472.553 2.420 30 10 JEEE C=CCn1cc(OCC(=O)Nc2ccc(C(=O)OCC)cc2)c(=O)cc1CN1CCC(O)CC1 1870705665 LYPJSCKXRRTMHX-UHFFFAOYSA-N 469.538 2.185 30 10 JEEE CCOc1ccccc1OCc1nnc(SCC(N)=O)n1/N=C/c1cc(OC)c(O)c(OC)c1 1874240408 GEOXCDDXWCRFNP-BHGWPJFGSA-N 487.538 2.438 30 10 JEEE CC(C)(C)OC(=O)N1CC(O)([C@H](F)C(=O)N2CC[C@H]3C[C@@]3(B3OC(C)(C)C(C)(C)O3)C2)C1 1879729895 HGYFEGGZZZALKK-PDSXEYIOSA-N 454.348 2.391 30 10 JEEE CC(C)N1C(=O)CS[C@@H](C(=O)Nc2cnc(N3CCOCC3)nc2)[C@H]1c1ccc(C#N)cc1 1889379029 COWCABVTSSLMIG-NHCUHLMSSA-N 466.567 2.217 30 10 JEEE COc1ccc(CC(=O)N2CCC(OCC#CCN3CCN(C(C)C)CC3)CC2)c(OC)c1 1890335160 HHEYSJKFBHXFPD-UHFFFAOYSA-N 457.615 2.283 30 10 JEEE CC(C)(C)OC(=O)N1CC(O)([C@H](F)C(=O)N2CCC(=CB3OC(C)(C)C(C)(C)O3)CC2)C1 2124537621 ADDGMHLUDAGGOJ-MRXNPFEDSA-N 454.348 2.487 30 10 JEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CC(=O)NC2CC(B3OC(C)(C)C(C)(C)O3)C2)C1 2124542154 AILRRYNHTDOOSX-UYSNPLJNSA-N 472.413 2.152 30 10 JEEE C=CCC1(C(=O)N2C[C@@H]3CN(C(=O)OC(C)(C)C)[C@@H](CO)[C@H]3C2)CN(C(=O)OC(C)(C)C)C1 2227325123 MPKROUKQRCFSDQ-SQNIBIBYSA-N 465.591 2.486 30 10 JEEE C=CCC1(NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C(F)(F)F)CN(C(=O)OC(C)(C)C)C1 2254213933 VAPNDPJTELACEJ-CHWSQXEVSA-N 467.485 2.485 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)[C@H](O)C1 2255876326 BSIZGRQSMDBXDN-UONOGXRCSA-N 452.382 2.147 30 10 JEEE C[C@@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)N(C)Cc1ccc(B2OC(C)(C)C(C)(C)O2)s1 2256625442 WVZARKOCHVBSBG-CJNGLKHVSA-N 454.398 2.280 30 10 JEEE CN(CC1(O)CN(C(=O)OC(C)(C)C)C1)C(=O)c1ccsc1B1OC(C)(C)C(C)(C)O1 2259116711 UMJWAAVDADKRPE-UHFFFAOYSA-N 452.382 2.101 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](CNC(=O)c2ccsc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1O 2267162875 SLSFQSDHMJAZCB-BMFZPTHFSA-N 466.409 2.441 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](OCCNC(=O)c2occc2B2OC(C)(C)C(C)(C)O2)C1 2267499004 XYXYGHYDWSTCNG-OAHLLOKOSA-N 450.341 2.335 30 10 JEEE CN(CCN(C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(O)cc1O)C(=O)OC(C)(C)C 2267804198 RZOAMVMNFSAEBX-UHFFFAOYSA-N 450.341 2.336 30 10 JEEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H](C2)[C@@H]1CC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2268640298 VUVUCIGLIDRATR-IHRRRGAJSA-N 464.397 2.376 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H](C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)O1 2268649982 HCLNPDLIFIIEDO-ZFWWWQNUSA-N 467.397 2.131 30 10 JEEE CC(C)(C)OC(=O)NC1(C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)c(F)c2F)COC1 2268705787 HLNNMYOAOVJITP-UHFFFAOYSA-N 454.279 2.496 30 10 JEEE COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1NC(=O)[C@@H](O)CCNC(=O)OC(C)(C)C 2268706931 OKPHFEBDAYODFG-INIZCTEOSA-N 450.341 2.209 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)CC[C@@H]1C(=O)NCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2279285973 NBMQVIMNBXBIFO-RTBURBONSA-N 460.380 2.362 30 10 JEEE CC(C)(C)OC(=O)NC1CC(O)(CNC(=O)c2ccc(F)cc2B2OC(C)(C)C(C)(C)O2)C1 2281783668 NTCHYVUVBQFEDI-UHFFFAOYSA-N 464.343 2.273 30 10 JEEE CC1(C)OB(c2cc(C(=O)N3C[C@H](CNC(=O)C(F)(F)F)C4(CCC4)C3)ns2)OC1(C)C 2281991627 CRZYTAPUYWKIRP-LBPRGKRZSA-N 473.326 2.363 30 10 JEEE C[C@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1nn(C)c(Cl)c1B1OC(C)(C)C(C)(C)O1 2282036644 LQQRBKXOVYEHJW-WDEREUQCSA-N 478.708 2.044 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1COCCN1C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282608935 BDHQKGQVOSVFHH-HNNXBMFYSA-N 481.786 2.400 30 10 JEEE CC1(C)OB(c2cccnc2C(=O)N2C[C@H]3CC[C@H]2[C@@H](NC(=O)C(F)(F)F)C3)OC1(C)C 2282670507 IMHGVSPGGYSERM-QEJZJMRPSA-N 453.270 2.052 30 10 JEEE CCO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2283968821 NCHDCHAKPSQPIS-HOTGVXAUSA-N 481.424 2.331 30 10 JEEE C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2cc(B3OC(C)(C)C(C)(C)O3)ccc2C1 2283970987 IAVKYORWGWGCCR-DNVCBOLYSA-N 460.380 2.145 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2285187895 KGEYYWMDXQCNSQ-AEFFLSMTSA-N 464.343 2.111 30 10 JEEE CC(C)N1C[C@H](c2nnc(SCC(=O)NCc3ccco3)n2N=Cc2ccc[nH]2)CC1=O 2329018168 RQWDLFYUHNUNLK-OAHLLOKOSA-N 455.544 2.214 30 10 JEEE Cn1ncc(C(=O)N[C@H]2C[C@@H]3C[C@@H](NC(=O)OC(C)(C)C)[C@@H]3C2)c1B1OC(C)(C)C(C)(C)O1 2359277790 SUYCFPJSVISDKB-JYYAWHABSA-N 460.384 2.141 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(=NCC(F)(F)C2(O)CN(C(=O)OC(C)(C)C)C2)[nH]1 2362160118 OCRNGYIDCHAPBE-UHFFFAOYSA-N 469.338 2.140 30 10 JEEE C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1N(C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2362352054 BEXBUDIFWVEQOY-HOTGVXAUSA-N 462.400 2.437 30 10 JEEE C[C@@H](CN=c1cc(B2OC(C)(C)C(C)(C)O2)c(F)c[nH]1)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 2372001074 ROCXTUJAFOGUNP-WNSKOXEYSA-N 465.375 2.362 30 10 JEEE CN[C@H](C#Cc1ccc(Br)cc1)C1(S(C)(=O)=O)CN(C(=O)OC(C)(C)C)C1 2379817207 QNKOBWNPDUOWSE-MRXNPFEDSA-N 457.390 2.423 30 10 JEEE COc1cc(NC(=O)CSc2n[nH]c(N/N=C/c3cn(C)nc3C)n2)cc(OC)c1OC 20424029 POXKVNPXKPCQAZ-DNTJNYDQSA-N 460.520 2.049 30 10 JEEE NS(=O)(=O)c1ccc(NC(=O)CSc2n[nH]c(N/N=C/c3c(O)ccc4ccccc34)n2)cc1 20907779 HLWBVTMGTNAHPC-FOKLQQMPSA-N 497.562 2.488 30 10 JEEE CC(C)n1cc(/C=N/Nc2nnc(SCCC(=O)Nc3cccc(N4CCCC4=O)c3)n2N)cn1 20921377 KQVUNCWUYRLUOD-WYMPLXKRSA-N 496.601 2.463 30 10 JEEE COc1ccc(OC)c([C@H]2c3c(nc(NCc4ccc5c(c4)OCCO5)[nH]c3=O)NC(=O)[C@H]2C#N)c1 72472409 SOVHZBNNALWSEV-OXJNMPFZSA-N 489.488 2.394 30 10 JEEE C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 204866652 VQDFMFQAGBJNBR-NVXWUHKLSA-N 475.399 2.092 30 10 JEEE N#CCC(=O)N1CCC(CNC(=O)[C@@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)CC1 219528381 MJNPKNURBFOYAL-JOCHJYFZSA-N 458.518 2.162 30 10 JEEE CCOc1ccc(/C=C/C(=O)[C@@H]2C[C@@H](NC(=O)CN3C(=O)c4ccccc4C3=O)CCN2)cc1OC 585823973 CRPRBIYMTGIVLO-VEZSVDACSA-N 491.544 2.209 30 10 JEEE CCCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccc(OC(C)C)cc1 729672470 PUIOPLNPACZULA-UHFFFAOYSA-N 487.585 2.363 30 10 JEEE NS(=O)(=O)c1ccc(NC(=O)CSc2n[nH]c(NN=C/C=C/c3ccccc3)n2)cc1 1084394825 KXLLPCPLEVVRMN-KGSLMKHMSA-N 457.541 2.294 30 10 JEEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2cc(F)c(Cl)cc2N2CCOCC2)cc1 1141741636 AIXNOTZCKHBYIR-UHFFFAOYSA-N 451.907 2.480 30 10 JEEE C#C[C@H](C)NC(=O)c1cccc(S(=O)(=O)N(C)c2c(C)n(C)n(-c3ccccc3)c2=O)c1 1275425435 ICOLNFUSPPBBTJ-INIZCTEOSA-N 452.536 2.061 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1CN(CC(C)C)CCO1 1286298994 RUWNJVXUPSDJPV-IFMALSPDSA-N 466.634 2.267 30 10 JEEE C#CCCCCn1c(-c2cccn2C)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1286319918 ZKVSPXMDKFDVNW-JOCHJYFZSA-N 453.635 2.318 30 10 JEEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)Nc2ccccc2CC)CC1 1286335174 GHVUTMMMCPKFHZ-UHFFFAOYSA-N 477.613 2.251 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCc1ccnc(C(C)(C)C)n1 1286419754 DUJDPMIVTDCLET-GOSISDBHSA-N 471.631 2.072 30 10 JEEE C#CCSCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN2CCOC[C@H]2C1 1286499470 LXSGTTNDGBHMBJ-LJQANCHMSA-N 457.600 2.240 30 10 JEEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1286500967 IOSACUHLYFSLMB-MSOLQXFVSA-N 451.604 2.206 30 10 JEEE C=C(Cn1c([C@H](C)OCCOC)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1)c1ccccc1 1286615138 GWXXWEQUMUTSMJ-RXVVDRJESA-N 482.585 2.482 30 10 JEEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 1286683204 LWDPRXIKOUTHHS-KRWDZBQOSA-N 478.594 2.346 30 10 JEEE C=CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1286831508 HEBVGMHKQZTTLD-BZSNNMDCSA-N 492.646 2.221 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](C)c2ccccc2NS(C)(=O)=O)s1 1290944121 XVIJPGAGVQOVJH-ZDUSSCGKSA-N 457.599 2.004 30 10 JEEE CCN1CCCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1296094795 FUJWWFCPLXAYNR-TZIWHRDSSA-N 472.615 2.226 30 10 JEEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1300345142 PWLSOEVXLKJHBS-INIZCTEOSA-N 452.602 2.021 30 10 JEEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)CC(C)(C)CN1CCOCC1 1300403308 HMWREVLNKNELOV-UHFFFAOYSA-N 487.674 2.446 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1CCCN(C)c1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1300491326 HAROFXPUGNLVQY-GOSISDBHSA-N 483.573 2.027 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CC12CCOCC2 1300538420 PTXDGACSGDOOQZ-PMACEKPBSA-N 469.586 2.476 30 10 JEEE C#CCN(CC)c1nnc(-c2ccc(Br)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1300606290 KZIOASKSNCIFLV-HNNXBMFYSA-N 466.405 2.449 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@H]2CCCN2CCCO)CC1 1300689371 URGUNJZZSYNOAD-OAQYLSRUSA-N 487.446 2.310 30 10 JEEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN(CCN2[C@@H](C)CC[C@@H]2C)CC1 1300755248 PDZUEYVABABWOL-PMACEKPBSA-N 454.648 2.096 30 10 JEEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](c2ccc(F)cc2)C1 1300991586 VJTMKMFHLIQYIB-FPOVZHCZSA-N 493.605 2.337 30 10 JEEE C=CCC(C)(C)Cn1c(-c2ccccc2F)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1301146191 VGRNPGFACWYVEO-UHFFFAOYSA-N 453.526 2.022 30 10 JEEE C[C@H](C#N)CN(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccccc1CN1CC[C@H](O)C1 1301970588 HNDXRNSKKJVVHE-NQIIRXRSSA-N 493.637 2.480 30 10 JEEE CN(C)[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](C#N)C1)c1c(F)cccc1F 1314646951 HTEIVQZTBNJOTL-MAUKXSAKSA-N 482.495 2.235 30 10 JEEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOc1ncccc1F 1314728658 BXSMZMDLUQLDBW-SFHVURJKSA-N 470.530 2.301 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1358896671 JNUAESJLERXEQH-NVXWUHKLSA-N 468.558 2.211 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCC[C@@H]2C)c1 1358901408 JPBPITDKUDXMHZ-LNLFQRSKSA-N 472.615 2.381 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1CC1(CCOCC)CCCC1)[C@@H]1CCS(=O)(=O)C1 1358961403 YENKKAZGFVWJGE-LJQANCHMSA-N 472.615 2.349 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@@H](C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 1358968067 YRXITMVSXYFGGB-FPOVZHCZSA-N 489.617 2.355 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CC2(S(C)(=O)=O)CCCC2)CC1 1359042355 BZFHURYZRSLUDN-UHFFFAOYSA-N 473.599 2.170 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2C[C@H]2CC(F)(F)CO2)CC1 1359047744 RLTQKTJXRGRCBK-QGZVFWFLSA-N 477.487 2.386 30 10 JEEE C#CCSCCn1c(-c2cc(Br)cn2C)nnc1N(C)CCN1CCOCC1 1359050001 BYBSSYNFKFBJEA-UHFFFAOYSA-N 467.437 2.181 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1359095694 QSOSWHIVRKXOSU-NQIIRXRSSA-N 491.614 2.025 30 10 JEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccccc2F)CC1 1359215459 BXJCLHBROPMGSF-FQEVSTJZSA-N 478.594 2.043 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(c2nccnc2C)CC1 1359295903 QNLIRFNEJHELLA-UHFFFAOYSA-N 482.976 2.334 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1359329237 CLWSIQWDWDSVHD-IBGZPJMESA-N 475.615 2.296 30 10 JEEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1359336601 VUQIFRVIYGPLKF-SFHVURJKSA-N 484.630 2.427 30 10 JEEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@]2(C)Cc2ccc(OC(F)(F)F)cc2)C1=O 1437469573 CQQKLHHICUSZMP-FQEVSTJZSA-N 453.417 2.486 30 10 JEEE C#CCCCCn1c(CC(C)C)nnc1N1C[C@@H]2[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1507568946 VANNQMRPHNNLJR-CEXWTWQISA-N 479.647 2.407 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CCSC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1507622040 FIHGNTMBEROTHZ-AWEZNQCLSA-N 481.566 2.076 30 10 JEEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@H](C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1507632938 QVZUIPCVFMJCKL-TYPHKJRUSA-N 490.651 2.001 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1c(F)cccc1SC)[C@@H]1CCS(=O)(=O)C1 1507634469 YTROSCJEOHUALW-JKSUJKDBSA-N 464.588 2.318 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1CN1CCCC1=O 1507658509 CIVNMNVELHKIJE-UHFFFAOYSA-N 458.566 2.148 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1507723175 YPCPIJZHZBIVSZ-CLOONOSVSA-N 469.586 2.038 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 1507750894 HGCHHCZNXGHKCD-MOPGFXCFSA-N 462.645 2.201 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCc2ccc(OC)cc2)CC1 1507885060 QPGCRGCGXFLOSG-NRFANRHFSA-N 475.615 2.409 30 10 JEEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 1507936909 KYFZIFMTMWXBQE-WOJBJXKFSA-N 459.639 2.199 30 10 JEEE C=CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CCN1CCSCC1 1508041996 XTUUOOHRVUXPSH-UHFFFAOYSA-N 455.588 2.282 30 10 JEEE C=CCn1c(-c2ccc(OC)cc2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1508051194 QEEUWMUFMFHNMI-UHFFFAOYSA-N 452.559 2.080 30 10 JEEE C=CCNC(=O)Cn1c(N(C)C[C@H]2CCN(C(C)=O)C2)nnc1C1(c2ccccc2)CCC1 1508098665 QHRLRNAFAVDMNL-HXUWFJFHSA-N 450.587 2.355 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2nncn2C)C1 1508125801 FZDQQHYOSIDTHK-BBWFWOEESA-N 458.567 2.007 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@@H](N2CCCC2=O)C1 1508132320 WXQXMUJQKAZUDH-ZWKOTPCHSA-N 491.589 2.359 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@](O)(c2ccc(C)cc2)C1 1508143126 JMKPHNAYELHVDI-XMMPIXPASA-N 484.626 2.147 30 10 JEEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCN(CC(F)(F)F)C2)CC1 1519206077 HSGDIMAPYNIXQK-IBGZPJMESA-N 477.535 2.469 30 10 JEEE C#CCOc1ccc(CNC(=O)CCc2nc3cc(S(=O)(=O)N(C)C)ccc3n2C)cc1 1526379825 HUGKPFQQBBWZTI-UHFFFAOYSA-N 454.552 2.085 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCCO3)n2CCN2CCOC[C@@H]2C)c1 1539043369 PMBAEPHXXSJEEP-SIKLNZKXSA-N 466.586 2.297 30 10 JEEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCCn1cc(Br)cn1 1539153679 IHLZZTYINZSPBS-IBGZPJMESA-N 451.369 2.437 30 10 JEEE C#CCN(c1nnc(CC)n1CC(C)(C)c1ccc(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1539218935 GBXCTJXZCKHSPT-SFHVURJKSA-N 460.600 2.462 30 10 JEEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1CCCN1C[C@H](C)O[C@@H](C)C1 1539334263 YLXKBSYRJNAUQI-PMACEKPBSA-N 468.627 2.232 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@H]2CC(F)(F)CO2)CC1 1539489252 SRUDQSGQILSVDM-FQEVSTJZSA-N 489.523 2.256 30 10 JEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 1539509951 BCMMUIRISXYROF-MAUKXSAKSA-N 461.613 2.197 30 10 JEEE C=C(Br)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1539587413 COKSJPPXTGEJCA-UHFFFAOYSA-N 475.391 2.263 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2ccccc2CC1 1539616602 ROJHDUIECAGEQV-QMMLZNLJSA-N 459.616 2.475 30 10 JEEE C=C(C)Cn1c(-c2noc3c2COCC3)nnc1N1CCN(S(=O)(=O)N(CCC)CCC)CC1 1539699759 DXWXEZJPERCBKG-UHFFFAOYSA-N 493.634 2.071 30 10 JEEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccccc2[C@H]1C 1539751170 HSRDMBWYHRIXST-NQIIRXRSSA-N 475.615 2.327 30 10 JEEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cc(C)ccc1F 1539751976 YFNTURNKOYGCSC-HXUWFJFHSA-N 481.594 2.288 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N1CC[C@H](C(N)=O)C1 1540865799 SKHRVAMFVOSFQG-HNNXBMFYSA-N 454.531 2.427 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCN(C(C)C)CC2)cc1 1540878500 YSBGPOIXWPGXSX-HXUWFJFHSA-N 459.616 2.324 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCN2CCC(C)CC2)C1 1540892832 RVHRKTCQMMVUHR-PMACEKPBSA-N 451.637 2.084 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(Br)cc3)n2C[C@]2(O)CCN(C)C2)C1 1540895149 MFSPPVKZMLGULJ-UGKGYDQZSA-N 492.418 2.468 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](OC)C1 1540909005 UYILIFHMBXCVEW-SJORKVTESA-N 469.608 2.176 30 10 JEEE CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(OC(C)C)nc2)CCO1 1541071991 CZOXJYDIOFMEII-QFIPXVFZSA-N 475.553 2.389 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1cnn2ccccc12 1541106943 CZPAUYAGDAFDQI-KRWDZBQOSA-N 478.582 2.487 30 10 JEEE CNC(=O)[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CCN1C(=O)CCn1nc(C)cc1C 1548369128 AGTAHWLHJCFBRV-IBGZPJMESA-N 462.476 2.244 30 10 JEEE C#CCn1cc(CNC(=O)C2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)cn1 1556465368 DQGGFLJLFSXOJB-UHFFFAOYSA-N 454.474 2.252 30 10 JEEE C#CCN1CCC[C@H](NC(=O)[C@@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc(C)cc2)C1 1558329195 MLTCCJPTPUFUSD-UPVQGACJSA-N 451.592 2.324 30 10 JEEE C#CCN(c1nnc([C@H](C)OCCOC)n1Cc1ccc(C)s1)[C@@H]1CCS(=O)(=O)C1 1588034782 LVINVSLKKLRSKX-DLBZAZTESA-N 452.602 2.047 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1Cc1c(CC)noc1C)[C@@H]1CCS(=O)(=O)C1 1588035492 UKQJSQYVKYVPIC-GOSISDBHSA-N 499.593 2.496 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1CCc1cccc(F)c1F)[C@@H]1CCS(=O)(=O)C1 1588045204 HCFXLUJCUFBLTB-QGZVFWFLSA-N 457.506 2.488 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1588068956 CQRAKVSZIVEXBD-MRXNPFEDSA-N 458.510 2.109 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(OCC(F)(F)F)nc1 1588170639 LGWQOQANXHJXQF-UHFFFAOYSA-N 460.460 2.361 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCN2CCC[C@@H]2C)CC1 1588908350 PVLCXUNADRHUDX-IBGZPJMESA-N 480.613 2.412 30 10 JEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@](C)(c2ccccc2)C1 1588985961 XSRWKGJEUXQUTI-LAUBAEHRSA-N 463.629 2.007 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(NS(=O)(=O)CC)CC1 1589570438 VEJORIVUQGRWAZ-KNQAVFIVSA-N 491.662 2.029 30 10 JEEE C=CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1595367025 WLLFQQMJIZUAGA-UHFFFAOYSA-N 454.575 2.283 30 10 JEEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C(F)(F)F)C1 1595884647 PKXWLNIEVULMKV-HUUCEWRRSA-N 483.582 2.309 30 10 JEEE CCn1nc(-c2nnc(N(C)[C@@H](C)CC#N)n2CC(C)(C)C(=O)NC)c2ccccc2c1=O 1615895894 IBESDHXSSYOULQ-HNNXBMFYSA-N 450.547 2.185 30 10 JEEE COC(=O)c1cc(NC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc(C(=O)OC)c1 1622916386 CCKZPLAOBKDQRO-LJQANCHMSA-N 450.451 2.449 30 10 JEEE C=CCN1C(=O)C(=O)N(CC(=O)NCC[C@H]2CN(C(=O)OC(C)(C)C)c3ccccc32)C1=O 1643590309 SPNPPGSEBYTKPF-HNNXBMFYSA-N 456.499 2.008 30 10 JEEE N#Cc1cc(S(=O)(=O)N2CCN(C(=O)c3ccccc3O)CC2)ccc1Br 1667499704 CBPCUXYMZCDXFP-UHFFFAOYSA-N 450.314 2.173 30 10 JEEE COC(=O)c1ccc(CCNC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)c(OC)c1 1682658375 HEYRPVFCPWMBGH-UHFFFAOYSA-N 453.499 2.293 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1nccc(C(F)F)n1 1689846392 IWKYTWNFWVLCJH-CYBMUJFWSA-N 460.514 2.472 30 10 JEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cc(F)cc(F)c2)CC1 1689877338 WRLSVLJRZFAYJQ-MRXNPFEDSA-N 466.558 2.297 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1CCN(C)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1689991038 UVVYLJDJIMGUGV-KRWDZBQOSA-N 467.636 2.360 30 10 JEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCC(=O)NC1CCCCC1 1690003420 MZPQOTQWWBATEH-UHFFFAOYSA-N 495.653 2.458 30 10 JEEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCC(=O)N1CCCCC1 1690072702 QEEJIFBXTYFLNE-UHFFFAOYSA-N 457.604 2.100 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2cc(OC)c(OC)c(OC)c2)CC1 1690113736 SLSVUMPQHPUMJI-AREMUKBSSA-N 499.612 2.148 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2Cc2ccc(C[S@](C)=O)cc2)CC1 1690142730 SNISPMNSYYHHEG-UMSFTDKQSA-N 476.606 2.233 30 10 JEEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1690167171 CVNCBOGMQXWTCN-UHFFFAOYSA-N 464.599 2.086 30 10 JEEE C=C(Cl)Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1690330972 PKQBLYRLNWFOAA-BXUZGUMPSA-N 458.744 2.159 30 10 JEEE C=CC1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(C(N)=O)nc2)CC1 1690414702 HCXJYFNBFFCRLX-UHFFFAOYSA-N 451.556 2.214 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCSCC1 1690723637 XLTZZCCWBIWFFW-UHFFFAOYSA-N 488.639 2.219 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1690723990 FTUCFCVDGIACPK-CQSZACIVSA-N 474.509 2.008 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1690726644 HHJXWERTXJXHIL-KRWDZBQOSA-N 475.644 2.037 30 10 JEEE COCCN(CCC#N)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1ccc(F)cn1 1698060267 ALOQUJVYJRMELF-UHFFFAOYSA-N 462.489 2.141 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccsc2)c1 1705507332 YIRSVVNRTYOJAW-GOSISDBHSA-N 469.592 2.346 30 10 JEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(c2ccccc2)CC1 1705516411 AOJXHSIUVQOLPW-JOCHJYFZSA-N 486.642 2.131 30 10 JEEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1705520361 RLEZULUAFYZUJK-SFHVURJKSA-N 490.655 2.077 30 10 JEEE C#CCCCn1c(N2CCN(CCN3[C@H](C)CC[C@H]3C)CC2)nnc1[C@]1(OCC)CCOC1 1705539635 XMWNEURUWGJBCB-RQTOMXEWSA-N 458.651 2.338 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC(=O)NCCC)CC1 1705642519 WNYJYUMBWJZJSH-UHFFFAOYSA-N 452.603 2.436 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[C@@H](C)c2ccc(OC)cc2)CC1 1705648274 VAUUAISNCVWQST-XMSQKQJNSA-N 478.597 2.397 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(c2cccc(OC)c2)CC1 1705934173 DAJSAIPKJAJLSO-HXUWFJFHSA-N 473.599 2.223 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1c1ccc(CC)o1 1705936035 IKFUNSZJTACHDK-FUHWJXTLSA-N 482.628 2.278 30 10 JEEE CN(Cc1cccc(C#N)c1)c1nnc(Cc2cccnc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1711085435 HLDGCIZXCFEUOU-NRFANRHFSA-N 465.583 2.053 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1722362363 ANYLGTOSYGTWSC-INIZCTEOSA-N 482.404 2.089 30 10 JEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1CCN1CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1722371081 GVXVFTDPDPOSRM-UNMCSNQZSA-N 485.654 2.183 30 10 JEEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1CCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1722371508 WXLFMRLQXYODAQ-IBGZPJMESA-N 489.001 2.342 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC2(O)CC(OCC)C2)CC1 1722432244 XMSAWHBIBVRIBR-JNDNBTNTSA-N 457.550 2.242 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H](C)N(CC)C(=O)OC(C)(C)C)CC1 1722440758 IOUYKIHHLOPCEH-HKBOAZHASA-N 490.649 2.403 30 10 JEEE C=CCC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1722589387 RAKIDJICRVGZQQ-NRFANRHFSA-N 468.650 2.485 30 10 JEEE C=CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(CNC(C)=O)CC1 1722734537 DVWADKGKYVXASK-UHFFFAOYSA-N 467.603 2.193 30 10 JEEE COc1cccc(Cl)c1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1 1730247313 AMALIEFPKIQOAO-ZDUSSCGKSA-N 452.968 2.339 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCC[C@H]2OC)c1 1740564468 OFDQURKBYZREMA-QKNQBKEWSA-N 485.610 2.052 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1cccc(C(=O)NCC)c1)[C@@H]1CCS(=O)(=O)C1 1740622680 GNNMSAYETHWAFU-OAQYLSRUSA-N 492.605 2.073 30 10 JEEE C#CCN(c1nnc(C2CCCC2)n1CCCN1CCCO[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1740623713 ZOAINQWQMSHNMS-PZJWPPBQSA-N 463.648 2.063 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1C[C@@H](C)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1740628608 ZCDWKNIPEXQIGM-KZNAEPCWSA-N 481.619 2.060 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccncc2)n1CCC[C@@H]1NC(=O)NC1=O 1740679345 VILDSHHIPQRNCI-FQEVSTJZSA-N 461.501 2.031 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1OCCC1(C)C 1740685257 DCWPQLSGIWMXSD-MOPGFXCFSA-N 477.606 2.488 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2C[C@]2(C)CN(C)C2=O)CC1 1740690379 IXJZTDHZARUUPP-HXOBKFHXSA-N 456.978 2.305 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1740716879 CNDDTSHGANHVHE-JOCHJYFZSA-N 498.678 2.131 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(NC(=O)N(C)C)cc1 1740730783 IEERMXHHJMQVCQ-FDDCHVKYSA-N 470.599 2.314 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1740766330 HEYYIZAUKLNOJT-WWNPGLIZSA-N 468.602 2.144 30 10 JEEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1740843752 PGLIWKVNELUEKR-SFHVURJKSA-N 476.651 2.224 30 10 JEEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1740857483 ODUBHZXTZJOIPE-HXUWFJFHSA-N 471.650 2.440 30 10 JEEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 1740891027 OZOASZNYSCCKBH-JKSUJKDBSA-N 468.624 2.300 30 10 JEEE C=CCN(c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@]1(OC)CCOC1)C1CC1 1740908114 LMVONATVJKKZSD-QFIPXVFZSA-N 461.588 2.156 30 10 JEEE C=CCNC(=O)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1740952468 FNUJYSPYQMRWPQ-KRWDZBQOSA-N 486.623 2.303 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@H](OCCC)CC1 1740956759 PKILCAIDSVIGAE-FQEVSTJZSA-N 465.562 2.009 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCc2ccccc2F)C1 1740982930 YOLSOAWIPNCLMC-CTNGQTDRSA-N 493.605 2.164 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1(NC(=O)OC(C)(C)C)COC1 1748672367 SRLVRAQQYZPOGR-GOSISDBHSA-N 496.616 2.204 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCOc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1748818159 WQTDASBUIRXNLN-UXHICEINSA-N 458.584 2.186 30 10 JEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1Cc1ccc(NC(=O)NC(C)C)cc1 1748900317 DLKMRSGEKQUKSA-UHFFFAOYSA-N 461.570 2.442 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC1(S(C)(=O)=O)CCC1 1748922606 FHCRKWIHWYWUPX-UHFFFAOYSA-N 482.610 2.492 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCCN2CCCCC2)CC1 1748973036 VNEBPKPMTFMMIK-UHFFFAOYSA-N 484.048 2.493 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccn2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1749127719 ORLYFXMVHSVXQD-OFNKIYASSA-N 467.618 2.312 30 10 JEEE CC(C)CN1C[C@H]2CN(c3nnc(COc4ccc(C#N)cc4)n3C[C@H](C)N(C)C)CCN2C1=O 1750829453 AWHIKBFZRINHBL-PZJWPPBQSA-N 480.617 2.261 30 10 JEEE C#CCCCn1c(-c2cccn2C)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1760151955 SLBUKFAAVIFFHB-NHCUHLMSSA-N 451.619 2.324 30 10 JEEE C#CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CC[C@@H](C(F)F)N1CCOCC1 1760166129 RNXIVROCNAGVDJ-HNNXBMFYSA-N 457.323 2.461 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1C(F)(F)C12CCC2)[C@@H]1CCS(=O)(=O)C1 1760184413 XAEJWAFGUHMBGA-SJORKVTESA-N 483.585 2.259 30 10 JEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1Cc1cnccc1OC)[C@H]1CCS(=O)(=O)C1 1760192552 VPVHFRIWNUZENR-NRFANRHFSA-N 495.605 2.151 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)c(Br)c1 1760232906 FKSOEOJUHPISNP-OAHLLOKOSA-N 467.389 2.459 30 10 JEEE C=CCN(CC=C)c1nnc(-c2cc(Br)cn2C)n1CC1(O)CCS(=O)(=O)CC1 1760490845 LDQKKEDZCVAIQD-UHFFFAOYSA-N 484.420 2.164 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1760550733 HHPHLALRPZSLEW-FXAWDEMLSA-N 480.034 2.356 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc3ccccc3o2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1760551646 NGMHCZZGIWBYTJ-OAHLLOKOSA-N 466.585 2.161 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2ccc(Br)cc2C1 1760555453 GDPNXURHKFFEDK-KRWDZBQOSA-N 494.415 2.155 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ccc(F)c(OC)c2)CC1 1760556115 VIYCQZIHTJCVIQ-GOSISDBHSA-N 493.605 2.247 30 10 JEEE CC(C)(C)OC(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1760790844 GXTQFJZLJJGPQM-FQEVSTJZSA-N 481.601 2.500 30 10 JEEE CO[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)CC2CC2)C1 1769067736 FTNINDJFSKSIQL-HXUWFJFHSA-N 459.572 2.169 30 10 JEEE CC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc(NS(=O)(=O)c4ccccc4C#N)cn3)ccc21 1858293296 VBUXXLLIYZMBBG-UHFFFAOYSA-N 497.558 2.464 30 10 JEEE C=C(C)Cc1c(C)nn(CCC(=O)NCCNC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)c1C 1860304934 FSWLZWKTJZISAG-QFIPXVFZSA-N 465.598 2.290 30 10 JEEE O=C(/C=C/c1cccc([N+](=O)[O-])c1)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 1860727476 PDYYKMUOOYBAMT-QPJJXVBHSA-N 479.898 2.490 30 10 JEEE C=CCN(CC=C)C(=O)[C@@H]1CCCN1C(=O)[C@H]1CC(=O)N(c2ccc(C(=O)OCC)cc2)C1 1862178916 CFZQPVVPYBIVFT-FPOVZHCZSA-N 453.539 2.408 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(OC)c(O)c2)cc1 1862692027 BNNQIUTXUSDHRQ-QFIPXVFZSA-N 468.506 2.320 30 10 JEEE O=C(C1=C(O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccc2c(c1)OCCO2)c1cccc([N+](=O)[O-])c1 1862745188 CQNBKQZIPIPKBD-JOCHJYFZSA-N 495.488 2.277 30 10 JEEE O=C(C1=C(O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccc2c(c1)OCCO2)c1ccc([N+](=O)[O-])cc1 1862756745 QZLWBKDVYDGWSO-JOCHJYFZSA-N 495.488 2.277 30 10 JEEE COc1cccc(-n2nnc(C#N)c2NC(=O)CCCN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)c1 1870155654 YIGCRFWCELKHNM-UHFFFAOYSA-N 475.421 2.071 30 10 JEEE CN1C(=O)c2ccc(-n3nnc(C#N)c3NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2C1=O 1870156309 GQXXDYNDROJUIJ-UHFFFAOYSA-N 451.786 2.179 30 10 JEEE N#Cc1ccc(COc2cn(CCCn3ccnc3)c(CN3CCC(C(N)=O)CC3)cc2=O)cc1 1870350570 MGCFZFXFKBUDNL-UHFFFAOYSA-N 474.565 2.283 30 10 JEEE C=CCn1cc(OCC(=O)NC[C@@H]2CCCO2)c(=O)cc1CN1CCN(c2ccccc2OC)CC1 1870542617 XJHDAGVIHRIFJG-QFIPXVFZSA-N 496.608 2.039 30 10 JEEE C#CCOc1cn(CCc2ccc(S(N)(=O)=O)cc2)c(CN2CCc3ccccc3C2)cc1=O 1870561376 KMTJBOINUQYQMU-UHFFFAOYSA-N 477.586 2.309 30 10 JEEE C=CCn1c(C(=O)N2CCN(c3ncccn3)CC2)cc2c(NCc3ccccn3)ncnc21 1875230783 NRTNESUQDNIEED-UHFFFAOYSA-N 455.526 2.377 30 10 JEEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)[C@H]3CCCN3c3ccccn3)CC2)CC1 1889450343 WRBUGWOPRFJQDP-XMMPIXPASA-N 453.631 2.087 30 10 JEEE CC(C)(C)OC(=O)NCCC[C@H](NC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)C(=O)O 2059770194 PZHAMYGCPDPBRU-CABCVRRESA-N 456.540 2.448 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C2C[C@H]3[C@@H](C2)C13C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2185037484 GSJNPHRNTDIFAE-IOVHEIBLSA-N 456.352 2.264 30 10 JEEE 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 2223126556 WKPHLDOSCOQUCD-DFEOGRTESA-N 453.580 2.390 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H](C)CNC(=O)OC(C)(C)C 2255745148 OGMLTPPUKQFPMX-OAHLLOKOSA-N 454.398 2.486 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2255808594 LVRZBILGKTUUER-DZGCQCFKSA-N 452.382 2.005 30 10 JEEE Cc1csc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)c1B1OC(C)(C)C(C)(C)O1 2255836907 HALKKARAMBAUIP-KBPBESRZSA-N 452.382 2.066 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCN(S(=O)(=O)c2ccc(F)cc2B2OC(C)(C)C(C)(C)O2)C1 2267468706 XTUNINDUAZCSFQ-HNNXBMFYSA-N 470.372 2.413 30 10 JEEE C=C(CS(=O)(=O)N[C@H]1CN(C(=O)OC(C)(C)C)[C@@]2(CCOC2)C1)B1OC(C)(C)C(C)(C)O1 2267469523 WZKMYWRXQNXNQA-IERDGZPVSA-N 472.413 2.262 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2[C@H](NS(=O)(=O)Cc3ccsc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2267472735 VCBLRPGZMYQTLC-ZSHCYNCHSA-N 484.449 2.332 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1[C@H](C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C1(F)F 2268641687 BYISDPCVOGTPEJ-SMDDNHRTSA-N 473.351 2.465 30 10 JEEE CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N1CCc2sc(B3OC(C)(C)C(C)(C)O3)cc2C1 2268789912 DRKWCYUGEHHJTB-OAHLLOKOSA-N 466.409 2.208 30 10 JEEE Cn1ncc(C(=O)N[C@@]23CCC[C@@H]2CN(C(=O)OC(C)(C)C)C3)c1B1OC(C)(C)C(C)(C)O1 2281813919 HAFVVIHQKVIPCW-IQMFZBJNSA-N 460.384 2.239 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@]12CCN(C(=O)OC(C)(C)C)C[C@@H]1C2 2282011750 MHYIPVDHEVYDFB-WNSKOXEYSA-N 460.384 2.157 30 10 JEEE Cn1cc(C(=O)NC[C@H]2C[C@H]3CC[C@H]2N3C(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2282037886 BDPGDUKHPZLMLH-BFYDXBDKSA-N 460.384 2.237 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2COCC[C@@H]2NC(=O)OC(C)(C)C)n1 2282042471 CKBQRFNZDYNRRS-IRXDYDNUSA-N 461.368 2.101 30 10 JEEE CC1(C)OB(c2ccsc2S(=O)(=O)NC[C@@]2(O)CCCN(Cc3ccccc3)C2)OC1(C)C 2282415510 IPDQCCPHXSGZNG-QHCPKHFHSA-N 492.472 2.353 30 10 JEEE CC(C)(C)OC(=O)N[C@]12CC[C@H]1CN(S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1)C2 2282501447 XDQSTAQYOWGYBI-QKKBWIMNSA-N 499.464 2.261 30 10 JEEE CN(C[C@H]1COCCN1C(=O)OC(C)(C)C)C(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1 2282512371 HWVRMJSUEAXADB-INIZCTEOSA-N 461.368 2.089 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CN(C(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)[C@]2(CCOC2)C1 2282517190 QOCXQYUZXUKCOX-JLCFBVMHSA-N 479.408 2.341 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H]2OCCN(C(=O)c3nscc3B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2282529336 FDDMNQNZSULTSN-CVEARBPZSA-N 479.408 2.293 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C2(CC2)C1 2282537002 KAVRSTJECNBYJD-OAHLLOKOSA-N 460.384 2.381 30 10 JEEE Cn1ncc(C(=O)N2C[C@@H]3CCC[C@H](C2)N3C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2282558463 IUCMQWGJBGNITB-IYBDPMFKSA-N 460.384 2.333 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CN(S(=O)(=O)Cc3cccc(B4OC(C)(C)C(C)(C)O4)c3)C[C@@H]21 2282843024 GTJJEDRXXOUQQM-REPLKXPHSA-N 478.420 2.271 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@]2(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(O)cc2O)C1 2282969108 YXDDQXPTYVCLSS-ZLOXQWCVSA-N 460.336 2.136 30 10 JEEE CO[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2283926574 PVWWZZSNMMDVKN-HOTGVXAUSA-N 481.424 2.331 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCOC[C@H]1CC(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2283975959 WROXKIPCLWNXBS-ZBFHGGJFSA-N 481.424 2.378 30 10 JEEE COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1NC(=O)C1(CNC(=O)OC(C)(C)C)COC1 2284059648 HVOSHHCXUKIOSR-UHFFFAOYSA-N 462.352 2.474 30 10 JEEE Cc1cc(CNC(=O)[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2289565238 FSXOTIYEVXHSKH-DEOSSOPVSA-N 460.380 2.282 30 10 JEEE COCCn1cc(C#C[C@@H](O)[C@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)cn1 2340457704 MMYOIKYXYQWQBE-RDGATRHJSA-N 454.571 2.411 30 10 JEEE CN(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2scc(B3OC(C)(C)C(C)(C)O3)c2C1 2361632426 IAUSMVBHLGIPCY-QGZVFWFLSA-N 479.452 2.387 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](CN=c2cc(B3OC(C)(C)C(C)(C)O3)c(F)c[nH]2)N2CC[C@H]1C2 2372001585 YFZNYLKVKUMQRZ-HOTGVXAUSA-N 462.375 2.047 30 10 JEEE COCCSc1nnc(NC(=O)CSc2n[nH]c(N/N=C(\C)c3ccccn3)n2)s1 21082656 CJHRATZCOOGPGL-KEBDBYFISA-N 465.590 2.357 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)O[C@H](C)C(=O)N3CCN(c4ccccc4O)CC3)cc2C1=O 22067464 QPAZOAAWKJEJHR-MRXNPFEDSA-N 463.490 2.068 30 10 JEEE COC1=C[C@@H](C)[C@@H]2C[C@H]3OC(=O)C[C@H]4[C@](C)(O)[C@H](OC)[C@@H](OC(C)=O)[C@H]([C@@]2(C)C1=O)[C@@]34C 31502568 ISYHXQAQWVPQKA-SNPVAWBPSA-N 450.528 2.027 30 10 JEEE in-vitro COc1cc2c(cc1OC)CN(C(=O)CSc1n[nH]c(N/N=C/c3ccncc3)n1)CC2 59311073 FLQYKJAQXKTRSW-FOKLQQMPSA-N 453.528 2.340 30 10 JEEE COc1ccc(NC(=O)CSc2nnc(NN=C(C)c3ccccc3O)n2N)c(OC)c1 1084249521 SFQLZAYUZXOYBS-UHFFFAOYSA-N 457.516 2.282 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCC1(O)CCOCC1 1286290019 OFFDAMBITVDUFV-GOSISDBHSA-N 464.570 2.455 30 10 JEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2c(C)cccc2C1 1286324850 SJTHJPUZYQLZEK-NRFANRHFSA-N 457.600 2.286 30 10 JEEE C#CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1286360675 ILFDXEATPTVNFA-JKSUJKDBSA-N 451.980 2.422 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1CCCN1CCN(c2ccncc2)CC1)[C@H]1CCS(=O)(=O)C1 1286386273 XUFIWMREZRBLBY-GGAORHGYSA-N 499.685 2.026 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCCN(C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1286387167 BBNAUGUYNWSJRC-HXUWFJFHSA-N 459.616 2.311 30 10 JEEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1CC1CCN(CCN(C)C)CC1 1286429029 CEYVNUQXDPYBGS-UHFFFAOYSA-N 472.641 2.253 30 10 JEEE C#CCN1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@@H](C)COC)CC1 1286479212 GFJIQIRYLZKXIP-LJQANCHMSA-N 460.623 2.430 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(N(C)C)cc1C 1286521921 FKYOMWUQBORRIX-XUZZJYLKSA-N 486.642 2.026 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1286568731 XYWPQGMJEGLDCO-LQWHRVPQSA-N 457.579 2.193 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCCCN2CCCC)CC1 1286647095 ZATYTROBUOIEKU-LEWJYISDSA-N 480.679 2.422 30 10 JEEE C=CC1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC1 1286653359 VNRVUQFHUWVEAF-QGZVFWFLSA-N 456.513 2.180 30 10 JEEE C=CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCO[C@@H](C(=O)NC)C1 1286700047 XPLDJRIDJQWXDX-ZWKOTPCHSA-N 462.595 2.310 30 10 JEEE Cc1nn(C)c(N2CCN(c3nnc(CC(C)C)n3CCN3CCC[C@@H](C)C3)CC2)c1C#N 1290576455 FNPXZMUSUGMPMV-LJQANCHMSA-N 453.639 2.449 30 10 JEEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1C[C@@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1300431654 JQCYRVYJQPWZIT-LFALDJFMSA-N 475.590 2.024 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@@](C)(O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1300482503 GIUOFZUCLQFXQE-WMZHIEFXSA-N 454.552 2.381 30 10 JEEE C#CCN(c1nnc([C@H](C)OCCOC)n1Cc1csc(C)c1)[C@H]1CCS(=O)(=O)C1 1300485138 UMOHACRSLJXUEW-WMZOPIPTSA-N 452.602 2.047 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@H](OC)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1300498580 LVDLLCJGVGDEEA-YADHBBJMSA-N 465.579 2.278 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CCOC(C)C)[C@H]1CCS(=O)(=O)C1 1300499858 YLVNHRVZXCZAHZ-INIZCTEOSA-N 452.527 2.199 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cn2nc(C)cc2C)n1CCCS(C)(=O)=O 1300649644 OEMLKTJIZPXOJY-UHFFFAOYSA-N 458.563 2.353 30 10 JEEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1(O)CCCCC1 1300666396 YERNLRBFGBFMRO-UHFFFAOYSA-N 453.591 2.233 30 10 JEEE C=C(C)CN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1CCS(=O)(=O)C1 1300914613 FOIAMDVLEPAHOA-SFHVURJKSA-N 459.620 2.289 30 10 JEEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1300960756 KCOVDXAVMPGFEO-IAGOWNOFSA-N 460.604 2.213 30 10 JEEE C=C(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1300963885 LZQQLLVEYIDEQA-WMZHIEFXSA-N 463.586 2.294 30 10 JEEE C#CC1(O)CCN(C(=O)c2cn(CC)c3cc(N4CCN(C)CC4)c(Cl)cc3c2=O)CC1 1301219134 DWQDHJUFBVBOGJ-UHFFFAOYSA-N 456.974 2.027 30 10 JEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1ccsc1)N(C)C)C1CC1 1301327019 KTQVDEFHZGXPOO-RTBURBONSA-N 480.660 2.130 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCC2(CC1)CNC(=O)C2 1301492809 OGOIYGAHMNWXOH-UHFFFAOYSA-N 491.365 2.255 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 1301520311 DSRGTTGNUSJZLJ-BJLQDIEVSA-N 492.621 2.140 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCC(NC(C)=O)CC1 1301577328 NALJBRKIANAVCE-UHFFFAOYSA-N 451.980 2.304 30 10 JEEE C[C@H]1N(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CCOC1(C)C 1305240136 FOWXHQVJIGHOCB-SJLPKXTDSA-N 458.588 2.102 30 10 JEEE CCN(CC)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)NC(C)C)CC1 1313695573 BUMNRKGOORHGQJ-UHFFFAOYSA-N 473.647 2.455 30 10 JEEE CCOc1ncccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(C#N)cc1 1314230196 GTSSYUXKSAVLMS-MRXNPFEDSA-N 469.571 2.238 30 10 JEEE CCOc1ccc(NC(=O)c2ncc(C#N)cc2Cl)cc1S(=O)(=O)N1CCOCC1 1349316734 CLNXDNDHWSRVOT-UHFFFAOYSA-N 450.904 2.279 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@](C)(O)c1ccsc1)[C@H]1CCS(=O)(=O)C1 1358963781 OAGDBLRPEFGUIF-UWJYYQICSA-N 450.630 2.463 30 10 JEEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CCCn1cc(Br)cn1 1358976846 TYXBLSHXPPGKQY-UHFFFAOYSA-N 470.331 2.128 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccc(C)cc2)n1C[C@]1(N2CCOCC2)CCSC1 1358983001 RRTDEECDKSSFME-RUZDIDTESA-N 465.623 2.446 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCS(C)(=O)=O 1358993636 SLVNAWRSFXXZTC-LJQANCHMSA-N 477.631 2.290 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(CC)CCOCC1 1359021162 DVOBUJXZGYFHIS-UHFFFAOYSA-N 450.547 2.214 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2Cc2ccc(NC(C)=O)nc2)CC1 1359041779 ILOTWAYDMQZJJO-UHFFFAOYSA-N 487.564 2.321 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1359118491 MNOKWVGHLLAHDR-VGSWGCGISA-N 461.588 2.156 30 10 JEEE C=CCCCCn1c(N2C[C@H](C)[C@@H](N3CCN(C(C)=O)CC3)C2)nnc1[C@]1(OCC)CCOC1 1359206878 SAGCERFIYFGHRX-XTJBDQBJSA-N 474.650 2.275 30 10 JEEE C=CCCOCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1359222733 QNUVVHZWOCAIBB-SFHVURJKSA-N 493.406 2.456 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1359293901 CUZVSNPXAVPQTD-GUYCJALGSA-N 499.490 2.429 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(C(F)(F)F)c1 1359300444 BPJHGCPZKQRJDL-OAHLLOKOSA-N 471.505 2.138 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@]2(N(C)C)CCSC2)C1 1359326863 LNDZNCJHFLKYIV-OZIGNCPNSA-N 451.637 2.221 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1359329747 SMDKOCDUQZNXOG-UHFFFAOYSA-N 499.666 2.421 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CCN2CCCC[C@@H]2C)CC1 1359331810 IMLWFYZOXWOBHW-FPOVZHCZSA-N 492.690 2.311 30 10 JEEE CC(C)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1360144231 BZJRNLZIIWPVNB-HXUWFJFHSA-N 471.631 2.019 30 10 JEEE C=CCn1c(SCC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)NC)nnc1-c1ccc(Cl)cc1 1455324184 VBTQKIDCLPDZEO-INIZCTEOSA-N 459.963 2.073 30 10 JEEE CC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCO2)CCN1CCOC 1499780487 BFULIZZPTKHRCT-IFMALSPDSA-N 454.575 2.455 30 10 JEEE CCOC[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)C1 1503143689 AODAREORPMPFMM-HXUWFJFHSA-N 488.614 2.017 30 10 JEEE CNC(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)N(C)C2CC2)C1 1503760939 IBXUWSLTLIRMSJ-MJGOQNOKSA-N 451.575 2.174 30 10 JEEE COCC[C@@](C)(O)Cn1c(C(=O)N2CCCC2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1504747167 AQXFPAABUXSTIM-XMMPIXPASA-N 452.559 2.342 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2[nH]c(C)c(C)c2c1 1507539316 UMSBFDSPTARXRK-VFNWGFHPSA-N 470.599 2.215 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2CC(C)(C)N2CCOCC2)c1 1507549934 BZSMLGCHPRZYPS-OAQYLSRUSA-N 480.613 2.339 30 10 JEEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCN1CCCCC1=O 1507690616 UJIBCFQMTRUTLL-UHFFFAOYSA-N 450.591 2.314 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCC(=O)N[C@H](C)CC)CC1 1507735148 LZGABEMBZTWYKW-MRXNPFEDSA-N 471.993 2.264 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H]2CCCOC2)CC1 1507735401 VHXOQMFWQLFRLH-GOSISDBHSA-N 467.570 2.355 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cnn(-c3ccccc3)c2)n1CCNS(=O)(=O)CC 1507765230 KJENZKNXASYESD-JOCHJYFZSA-N 453.572 2.062 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H](C(N)=O)C1 1507798770 UGGQILJDLVXLQS-CPUCHLNUSA-N 463.380 2.339 30 10 JEEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2ccc(F)c(F)c2)C1 1507852699 CEGWNIDNOJBGKU-LRDDRELGSA-N 461.922 2.497 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[C@](C)(O)c2ccccc2)CC1 1507903101 QZFDIPDAEPVHMW-QPPBQGQZSA-N 489.642 2.311 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N(C)C1CCC2(CC1)OCCO2 1508079233 PTLPOUXXDJICHM-UHFFFAOYSA-N 471.558 2.386 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1508081964 QSHVAUCSTZRNDD-WNSKOXEYSA-N 456.522 2.490 30 10 JEEE CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)N2CCN(CC)CC2)CCN1CCOC 1514137179 DLKIBXWCEZWJAP-RCZVLFRGSA-N 494.688 2.390 30 10 JEEE N#Cc1ccc(-c2nnc(N3CCC(O)(C(F)(F)F)CC3)n2C[C@H]2CCS(=O)(=O)C2)cc1 1521089466 FBACHBIBSINQOA-OAHLLOKOSA-N 469.489 2.145 30 10 JEEE C=CCn1cc(CNC(=O)c2ccc(Br)c(S(=O)(=O)NC(C)(C)C)c2)nn1 1536910258 DVLNTTUHMGCYQC-UHFFFAOYSA-N 456.366 2.233 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](c1cccs1)N1CCCC1 1538974517 SWXYMGGMMWQVQK-ULQDDVLXSA-N 450.634 2.245 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1c(CC)nn(C)c1OC 1539014827 SJWWKBWXIRBWHR-KRWDZBQOSA-N 463.590 2.263 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2C[C@H]2CCO[C@H](C)C2)c1 1539046057 LUCLORYKTKFJDY-QUCCMNQESA-N 464.570 2.272 30 10 JEEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCC(NC(=O)COC)CC1 1539095301 BSESEMSZFKCLPC-UHFFFAOYSA-N 463.380 2.191 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC1CCC(F)(F)CC1)[C@H]1CCS(=O)(=O)C1 1539215991 MOHJPWMMMFRQKG-KRWDZBQOSA-N 452.531 2.131 30 10 JEEE C#CCN(c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@H](C)OC)[C@H]1CCS(=O)(=O)C1 1539216178 ORSYBXVYLJQNSI-AEFFLSMTSA-N 455.540 2.262 30 10 JEEE C#CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC[C@H]1CCOC1 1539401293 ZJVUQKNHRBKKTC-SFHVURJKSA-N 460.604 2.059 30 10 JEEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2C[C@H](C)CN2CCN(CC)CC2)CC1 1539454494 QFCDZLCASHFVJD-XMMPIXPASA-N 463.674 2.092 30 10 JEEE C#CCSCCn1c(-c2cc(Br)cn2C)nnc1N(C)CC(=O)NC(C)C 1539498630 YBVQFYQORQYDQD-UHFFFAOYSA-N 453.410 2.373 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1540865698 PDDSKPTUTNURSC-GOSISDBHSA-N 486.374 2.321 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1540872251 HZZWKHNFSGWONQ-FQEVSTJZSA-N 464.574 2.230 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(C)=O)C[C@H]1C 1540897823 SXLOTAGAYYDGMZ-SJORKVTESA-N 479.578 2.215 30 10 JEEE CCS(=O)(=O)N(C)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCOC2)C1 1548329732 GTOUPELWDASFRF-HSZRJFAPSA-N 488.614 2.017 30 10 JEEE N#CCCN(CC1CC1)c1nnc(-c2ccccn2)n1CCc1ccc(S(N)(=O)=O)cc1 1555995401 GXHZGHPGHKSPPG-UHFFFAOYSA-N 451.556 2.360 30 10 JEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(CCN(C)Cc3ccccc3)CC2)c1 1565638785 KXCZNMKRGTULMF-UHFFFAOYSA-N 453.608 2.373 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2C[C@@H]2CCCS(=O)(=O)C2)c1 1587689239 DVJKXQCSGPPDQN-IBGZPJMESA-N 478.578 2.221 30 10 JEEE C=CC[C@]1(C(=O)NCCCN2CCN(c3ncccn3)CC2)CCCN1C(=O)OC(C)(C)C 1588049753 GJPVPTUPYTXKPW-XMMPIXPASA-N 458.607 2.451 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1588074030 HOJCYOGKPNRASN-IYWMVGAKSA-N 464.632 2.250 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@H](C)N(C)C2CC2)CC1 1588908302 NTYISYMARNRIBN-GOSISDBHSA-N 450.587 2.402 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccc2OC)nnc1N(C)CC(=O)N1CCOCC1 1589516294 ZBZZIUBDGUCMES-PGRDOPGGSA-N 455.559 2.230 30 10 JEEE C=C(C)CN(CC)c1nnc(Cc2cccnc2)n1CCS(=O)(=O)N1CCSCC1 1589669336 QRKJUXSQSNGZBX-UHFFFAOYSA-N 450.634 2.045 30 10 JEEE C=C(C)COCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1593763214 DMARCLGHBLKFPH-FQEVSTJZSA-N 459.572 2.335 30 10 JEEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccccc2)CC1 1594626595 NFNXMDARBIPHRG-OAQYLSRUSA-N 474.631 2.294 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2cccs2)CC1 1595576877 AHRNPKISSKGRKM-UHFFFAOYSA-N 463.567 2.419 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1595593845 JDWMXZQYGCEWMI-IBGZPJMESA-N 480.573 2.218 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1595602713 PBYRWJRNFDTIGB-XWSHUIEDSA-N 474.650 2.046 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](C)[C@@H](OC)C1 1595648799 INQPWLWTPSQUDP-ZWOKBUDYSA-N 463.604 2.363 30 10 JEEE CC[C@H](C)[C@](C)(O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2C#N)CC1 1613112653 HWWSXCHMUHRLNX-WVMBUTMQSA-N 451.575 2.225 30 10 JEEE C#C[C@]1(O)CC[C@@H]2[C@H]3CCC4=C/C(=N/OCC(=O)N[C@H](CC(N)=O)C(=O)O)CC[C@]4(C)[C@@H]3CC[C@@]21C 1614466805 DADOOOYPFQVZKE-SVGXXELGSA-N 499.608 2.131 30 10 JEEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccc(OCCN3CCNC3=O)cc2C)c1 1634855581 WKGVOIBBRBKWAP-UHFFFAOYSA-N 455.536 2.448 30 10 JEEE C#CCn1cc(CNC(=O)c2ccc(CNS(=O)(=O)c3ccc(C(C)=O)cc3)cc2)cn1 1635749903 VNJBIMILRQXHOC-UHFFFAOYSA-N 450.520 2.127 30 10 JEEE C#CCN1CCC(NC(=O)[C@H](CCS(C)(=O)=O)Cc2cccc(Br)c2)CC1 1645782132 XZDFCOZZHMDTMJ-QGZVFWFLSA-N 455.418 2.256 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCCO3)n2CCS(=O)(=O)CC=C)c1 1689872243 SEOLKCQWOQRSJB-HXUWFJFHSA-N 471.583 2.177 30 10 JEEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCN(CC)C(=O)C1 1689931875 KVIHOAUNLZMELC-GOSISDBHSA-N 460.579 2.059 30 10 JEEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1689932380 ZESRLLFLMYMWBT-VQTJNVASSA-N 485.589 2.311 30 10 JEEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CCCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1689981849 CGAVJXNYBWOMBR-QFBILLFUSA-N 478.537 2.288 30 10 JEEE C#CCN(c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCCC)[C@H]1CCS(=O)(=O)C1 1689987727 BHRVDVXVCHWGQD-KRWDZBQOSA-N 468.583 2.009 30 10 JEEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(N2CCOC2=O)cc1 1690003354 LDXOMLZLLPGZSC-VWLOTQADSA-N 463.538 2.396 30 10 JEEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2cc(C)ccc2OC)CC1 1690288373 VMWKRYKVCITABU-IBGZPJMESA-N 459.616 2.396 30 10 JEEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1690319685 VOGIUJRROPABDG-HSZRJFAPSA-N 470.666 2.337 30 10 JEEE C=C(Cl)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1690350346 HAIYDJANTVBPNB-HXUWFJFHSA-N 479.050 2.019 30 10 JEEE C=C(Cl)Cn1c(N2CCC(CNC(=O)c3cnn(C)c3)CC2)nnc1[C@@]1(OCC)CCOC1 1690358561 DRZPIQXXBDPYRF-JOCHJYFZSA-N 477.997 2.063 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](CN2CCCC[C@H]2C)C1 1690659596 XPRZJQGUBUZWMQ-UXHICEINSA-N 480.617 2.318 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1C[C@H](OC)C(C)(C)C1 1690724183 JROBIBCWSPKMKX-OALUTQOASA-N 462.572 2.253 30 10 JEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](Oc2ccccc2)C1 1690729581 RLKKGGPFVDSIQS-FQEVSTJZSA-N 473.599 2.049 30 10 JEEE CO[C@H]1COCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CCC(N)=O)CC1 1697702257 CUIWQWDRMIOSNS-IRLDBZIGSA-N 482.585 2.262 30 10 JEEE C#CCCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CCNS(C)(=O)=O 1705515993 RPOWHDOCRPIHDU-GOSISDBHSA-N 482.651 2.182 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CCSC1)[C@@H]1CCS(=O)(=O)C1 1705559758 BAXADVMTBQVPIZ-GOEBONIOSA-N 498.472 2.426 30 10 JEEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1cccc(CS(C)(=O)=O)c1)[C@@H]1CCS(=O)(=O)C1 1705562014 XMZWKHXRZLKELJ-FXAWDEMLSA-N 478.640 2.011 30 10 JEEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@@](C)(O)c1ccco1)[C@H]1CCS(=O)(=O)C1 1705565738 VTUQWRIRKLMXJK-KSFYIVLOSA-N 458.515 2.212 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1([S@@](C)=O)CCC1)[C@@H]1CCS(=O)(=O)C1 1705571566 BDPHEQSHIXEOPT-TXVPWZFVSA-N 496.699 2.125 30 10 JEEE C#CCN1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2C[C@@](C)(O)[C@H](C)CC)CC1 1705638770 WHOMVWRCWQBLNA-NIYFSFCBSA-N 477.613 2.227 30 10 JEEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H]2CCCN2C[C@H]1C 1705655365 LPJKHOAHEDQCKR-UYAOXDASSA-N 488.683 2.235 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CCO)Cc1ccccc1 1705699891 MUQDAYWXEPFUQS-NJYVYQBISA-N 460.600 2.160 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccccc2F)nnc1N1CCCN(S(C)(=O)=O)CC1 1705703676 VYCPFGFQTMIVCD-SIKLNZKXSA-N 477.606 2.461 30 10 JEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCCN(c2ncccc2F)CC1 1705739412 FRJCUDDXCBLAFY-UHFFFAOYSA-N 457.554 2.244 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1705932868 MHZDEAQOWHHFLL-INIZCTEOSA-N 485.532 2.359 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCCN(C(C)=O)CC1 1705936946 CIJIYWMGWSAJRT-UHFFFAOYSA-N 470.599 2.010 30 10 JEEE CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCN2CC)CC1 1710045881 FLWKECIMUALZIB-QHCPKHFHSA-N 478.645 2.291 30 10 JEEE CCn1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N2C[C@H](C)O[C@H](COC)C2)cn1 1710188447 FXABHBOIDVFXHY-UWJYYQICSA-N 451.531 2.234 30 10 JEEE C#CCCCn1c(CCc2ccccc2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1722338273 GQNTUQZSXDVSOW-UHFFFAOYSA-N 468.583 2.117 30 10 JEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1722346188 OQTSTACNDRXWMR-RTBURBONSA-N 488.658 2.153 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1ccc(C)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1722366616 JEXMMIAEKOMKFW-WOJBJXKFSA-N 458.584 2.164 30 10 JEEE C#CCN(c1nnc(C2CC2)n1Cc1c(Cl)c(C(F)(F)F)nn1C)[C@H]1CCS(=O)(=O)C1 1722368531 RQLBAQJNPQWEFH-LBPRGKRZSA-N 476.912 2.236 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CCCCn1cc(Br)cn1 1722387043 DWTDXFWPGPMSEV-UHFFFAOYSA-N 472.391 2.416 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@](C)(O)c2cccc(Cl)c2)CC1 1722431163 GPFWKGYAWASTQY-XMMPIXPASA-N 479.972 2.242 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCC[C@@H]2C(F)(F)F)CC1 1722432195 WMDUGRJQSJRPAU-IKGGRYGDSA-N 476.569 2.012 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCCN(C(C)=O)CC1 1722694625 CCOZVQPEGOIXDV-UHFFFAOYSA-N 470.574 2.103 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](CC)c2ccccc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1722724390 VQVVBOOBSWZRCQ-WMZHIEFXSA-N 457.600 2.137 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCC(c2cnn(CC)c2)CC1 1722729266 HNIABRNDAZJMHW-UHFFFAOYSA-N 469.615 2.465 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1722729958 CMJGGRZQMGDBCN-HXUWFJFHSA-N 462.620 2.022 30 10 JEEE C=CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCCN(CC)C(=O)C1 1722737824 SHGFUIPJWMMRSW-UHFFFAOYSA-N 467.599 2.170 30 10 JEEE CC(C)(Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1)NC(=O)OC(C)(C)C 1723027002 CWDKNXCVEBHFPL-SFHVURJKSA-N 480.573 2.334 30 10 JEEE CCN(CCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](C(F)(F)F)C1)S(C)(=O)=O 1728494500 ICGVJRHCDVSAMU-KRWDZBQOSA-N 486.520 2.256 30 10 JEEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1740595593 WDZPSLNCZWQHHD-UHFFFAOYSA-N 466.634 2.078 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@H](C)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1740626967 XFJCCDJKYRYTGR-AZUAARDMSA-N 461.607 2.365 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@]1(C)COCCO1 1740638275 IQETZGRURHXWQX-VWLOTQADSA-N 460.538 2.114 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@]1(O)CCN(C)C1 1740681833 DIZDMBRAAQKDFM-OAQYLSRUSA-N 462.392 2.169 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(OCC(C)C)cc2)CC1 1740695810 DVNYWJNRNBJFPU-NRFANRHFSA-N 471.627 2.019 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C)(c2nc(C)no2)CC1 1740795184 PDQDBHPQRYNKGD-QGZVFWFLSA-N 464.592 2.022 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](c2cccs2)N(C)C)CC1 1740840358 WPTTXLBAYOYUGK-RTBURBONSA-N 494.687 2.378 30 10 JEEE C=CCC(C)(C)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1740844271 GNVSMRPOYGUORI-UHFFFAOYSA-N 466.586 2.483 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)[C@H]1CC[C@@H](SCC)C1 1740956500 MIVVCSSFNRKOAL-RBUKOAKNSA-N 467.603 2.333 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC2(CCC2)C1 1740987242 DFBQDOKGNXUSCU-UHFFFAOYSA-N 493.655 2.177 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1Cc1ccnc(SC)c1)[C@H]1CCS(=O)(=O)C1 1748812574 XAYCVFKWXUNMHI-KRWDZBQOSA-N 456.597 2.076 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1CCCN1CCCO[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1748820731 IATXHKINLCYUHB-VWNXMTODSA-N 499.681 2.191 30 10 JEEE COc1ccc(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@@H](C)CS(C)(=O)=O)cn1 1748826383 ACFSOUFFBWKNAX-INIZCTEOSA-N 470.555 2.050 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2Cc2cc(C)no2)CC1 1749006493 POQQYBRHBWXBOO-UHFFFAOYSA-N 464.526 2.273 30 10 JEEE C=C(C)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1749187841 QHDBLCSTLWIDAX-SFHVURJKSA-N 455.588 2.473 30 10 JEEE C=CCN(CC=C)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@]1(O)CCS(=O)(=O)C1 1749560372 LVKUVTDENGISRD-HRAATJIYSA-N 450.536 2.285 30 10 JEEE C=CCN(CCOC)c1nnc(-c2cnccn2)n1C[C@@H]1C[C@@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1749597887 PFENYKVFBQBZHJ-HBFSDRIKSA-N 485.589 2.398 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCCN(CC(F)(F)F)CC1 1749679744 AGIOCXHQSUSCSM-UHFFFAOYSA-N 482.507 2.242 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H](NC(C)=O)C1 1749725455 UZBDLFPLQJRHFM-SFHVURJKSA-N 451.980 2.304 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CCNC(=O)Cc1cccc(F)c1 1760119403 ZMWGUSLEZINURD-GOSISDBHSA-N 459.529 2.473 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@](C)(O)[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1760192230 SCDLMTWYHUTYDM-LTMIRXACSA-N 478.590 2.420 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2Cc2ccc(N(C)C)nc2)CC1 1760273391 RKROEXNEYNTGFF-UHFFFAOYSA-N 491.571 2.471 30 10 JEEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1760276000 QITSZMMEOIVMKC-SFHVURJKSA-N 490.651 2.489 30 10 JEEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 1760341644 NHHRBHMXGWSHQE-OAHLLOKOSA-N 456.613 2.300 30 10 JEEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1760346365 VMQOFMGHYIUVSN-ULQDDVLXSA-N 471.624 2.420 30 10 JEEE C=CCCCCn1c(Nc2cnn([C@@H]3CC3(F)F)c2)nnc1[C@@H]1CN(S(C)(=O)=O)CCO1 1760430887 XHTDXXAFOFXABU-JKSUJKDBSA-N 471.534 2.488 30 10 JEEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 1760440692 OOVXWHFWPKRRCT-CVEARBPZSA-N 450.565 2.231 30 10 JEEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)c2ccccc2F)CC1 1760449168 CGQBELNEWNQRAQ-HXUWFJFHSA-N 470.549 2.314 30 10 JEEE C=CCCOCCn1c(N2CCN(C(=O)N3CCCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1760452357 AHYASMSSAFOXFX-XMMPIXPASA-N 476.622 2.249 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C)on1 1760484804 LAWCLFBJGVZQKB-FQEVSTJZSA-N 490.561 2.287 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)N1CCN(CC)CC1 1760487024 HMQBXWHJZCUDFU-VQTJNVASSA-N 492.715 2.460 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCOC(C)(C)[C@H]1C 1760515766 ZDQPNPZZNQLJQT-OAHLLOKOSA-N 460.966 2.167 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(c3ccccc3)CCOCC2)C1 1760535802 XILNSUZUBHACDC-TZIWHRDSSA-N 489.642 2.418 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCS[C@@H](C)[C@H]1C 1760555531 HUDKFZXSFIQFBV-MSOLQXFVSA-N 491.687 2.383 30 10 JEEE CC(=O)N1CCN(CCn2c(Cc3ccc(Cl)cc3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1760621876 DIJONMVPUFJEHP-JOCHJYFZSA-N 459.957 2.128 30 10 JEEE Cc1nc(CN2CCN(c3nnc(-c4ccc(C#N)cc4)n3CC(=O)NC(C)C)CC2)cs1 1762322868 HNUREOCSPHCHRB-UHFFFAOYSA-N 464.599 2.429 30 10 JEEE CN(CCn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)CC1)C(=O)OC(C)(C)C 1767370073 FADOBZNGHNRPOG-UHFFFAOYSA-N 474.587 2.164 30 10 JEEE CO[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1)C(C)C 1769631641 GZHOSBNVLMROOK-OAQYLSRUSA-N 499.597 2.128 30 10 JEEE COC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)C(C)(C)C)C[C@@H](C)O1 1770942725 AQRAOKUUXMBNCI-VQIMIIECSA-N 461.588 2.270 30 10 JEEE CSC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)CCC1 1771416253 GRFBJQHTVVACCA-KRWDZBQOSA-N 490.655 2.485 30 10 JEEE CCOc1cc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2CCNC(C)=O)ccc1O 1862759658 WNWCQILQEMLXKK-HXUWFJFHSA-N 469.450 2.414 30 10 JEEE C=CCn1cc(OCc2cnnn2Cc2ccccc2)c(=O)cc1CSc1nnnn1C 1870263065 NLHUENPZKDWBBJ-UHFFFAOYSA-N 450.528 2.069 30 10 JEEE COCCN(CCOC)Cc1cc(=O)c(OCc2ccc(C#N)cc2)cn1CCCN1CCOCC1 1870349611 UXCVVRKFVHTOKR-UHFFFAOYSA-N 498.624 2.116 30 10 JEEE COc1cc(Br)cc(/C=N/Nc2cnn([C@H]3CCS(=O)(=O)C3)c(=O)c2Cl)c1O 1873529085 MMWGOYSXHZDPSJ-GBCOYWTISA-N 491.751 2.179 30 10 JEEE N#Cc1cnn(-c2cc(F)cc(F)c2)c1NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1873684745 NKNZLWNPYPZXPR-UHFFFAOYSA-N 452.333 2.165 30 10 JEEE CC(C)N1C(=O)CS[C@H](C(=O)N2[C@H]3CC[C@H]2CC2(C3)CN(C)C(=O)CO2)[C@@H]1c1ccc(C#N)cc1 1889540776 NHICPRWGGHZRKW-TZYAJKAJSA-N 496.633 2.333 30 10 JEEE CC(=O)Nc1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)NCC#CCN(C)Cc2ccccc2)cc1 1891612885 DMHDXPFWIANNOI-VWLOTQADSA-N 496.633 2.440 30 10 JEEE C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC(O)(C2CCN(C(=O)C(F)(F)F)CC2)C1 2124145811 KKQIQLNRZJUDLE-HNNXBMFYSA-N 463.497 2.220 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2CCC[C@@](CO)(NC(=O)OC(C)(C)C)C2)C1 2255148806 RMOJXEHKSJGZGF-AVBDTAHFSA-N 451.564 2.171 30 10 JEEE CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2255811425 RLYVZNCOVYVSRM-CVEARBPZSA-N 452.382 2.411 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)C(F)(F)F 2256617886 MWCAJEFAUZZPNY-VIFPVBQESA-N 466.291 2.043 30 10 JEEE CCO[C@@H]1C[C@H](NC(=O)OC(C)(C)C)[C@@H]1NC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2267153430 BOQMUPKDOLYHOL-ZNMIVQPWSA-N 467.397 2.243 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](NC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)CCO1 2267162040 KKEHWHVKIDBQNJ-ZIAGYGMSSA-N 467.397 2.244 30 10 JEEE CC(C)(C)OC(=O)N1[C@H]2C[C@@H]1CN(S(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1)C2 2267417317 DRPRWHGRAFETPK-IYBDPMFKSA-N 464.393 2.368 30 10 JEEE C[C@H](CN(C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(O)cc1O)NC(=O)OC(C)(C)C 2267803735 LKADNADXUGRIKE-CYBMUJFWSA-N 450.341 2.382 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)c1nc(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)co1 2268668698 ICVAYFHNFIHKDA-JTQLQIEISA-N 465.341 2.085 30 10 JEEE CN(CCNC(=O)OC(C)(C)C)CC(=O)N(C)Cc1csc(B2OC(C)(C)C(C)(C)O2)c1 2268724196 ITRAXYBWEKEIJW-UHFFFAOYSA-N 467.441 2.462 30 10 JEEE C=C(CN(C)C(=O)[C@@H]1[C@@H](OC)[C@H](OC)CN1C(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2268798641 IXZOALHPVMXLEC-IKGGRYGDSA-N 454.373 2.282 30 10 JEEE Cc1nn(C)c(C(=O)N[C@H]2C[C@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)c1B1OC(C)(C)C(C)(C)O1 2281984525 CWCBGRZBLPRIRW-HRCADAONSA-N 460.384 2.155 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCN(C(=O)OC(C)(C)C)CCC23CC3)n1 2282041544 YHZAGBOOWYTKGM-UHFFFAOYSA-N 460.384 2.335 30 10 JEEE Cn1ncc(C(=O)N2[C@H]3CCC[C@H]2CN(C(=O)OC(C)(C)C)C3)c1B1OC(C)(C)C(C)(C)O1 2282055501 FNKNAUAZYUTDBT-HOTGVXAUSA-N 460.384 2.333 30 10 JEEE Cc1nn(C)c(C(=O)N=[S@@](C)(=O)CCN(C)C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2282056685 VXHYWEYTBDMFHS-XIFFEERXSA-N 484.428 2.133 30 10 JEEE COCCN(C(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1)C1CN(C(=O)OC(C)(C)C)C1 2282173192 GHDYSVUEXIPAQM-UHFFFAOYSA-N 461.368 2.089 30 10 JEEE CC[C@@]1(NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CCCN(C(=O)OCc2ccccc2)C1 2282176847 WNNQOINSPMKADU-RUZDIDTESA-N 497.405 2.426 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C23CCC3)n1 2282529541 ICFCPWVYROLFON-MRXNPFEDSA-N 460.384 2.381 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2CCC[C@H](C1)N2C(=O)OC(C)(C)C 2282529618 IYYWLVLOINMQNW-IYBDPMFKSA-N 460.384 2.333 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC2(CCC[C@@H]2NC(=O)OC(C)(C)C)C1 2282533304 JMHTWOITBIGEFV-INIZCTEOSA-N 460.384 2.239 30 10 JEEE COc1cc(C(=O)N2CC[C@@](C)(NC(=O)C(F)(F)F)C2)ccc1B1OC(C)(C)C(C)(C)O1 2282568176 YUDVTAUNUCYKOR-HXUWFJFHSA-N 456.270 2.278 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 2282581772 MMNQOOANYXGFPE-PHZGNYQRSA-N 460.384 2.045 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(C1COC1)C1CN(C(=O)OC(C)(C)C)C1 2282597848 JCDSAPJLSQJTDY-UHFFFAOYSA-N 479.408 2.211 30 10 JEEE Cn1nc(C(=O)NC2([C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)cc1B1OC(C)(C)C(C)(C)O1 2282628258 MNIRSDLUSDZUMX-HNNXBMFYSA-N 460.384 2.239 30 10 JEEE CN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1)C1(CNC(=O)OC(C)(C)C)CCOCC1 2282645139 HJSZECTVOMCRSB-UHFFFAOYSA-N 463.384 2.460 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2O)C1 2282987490 DSVDUFQFXXYUBS-INIZCTEOSA-N 462.352 2.057 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](Nc2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)[C@@H](S(C)(=O)=O)C1 2283031056 CMIIGVXUICPFTG-ROUUACIJSA-N 481.424 2.012 30 10 JEEE C=C(CN(C)C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC(C)(C)S1(=O)=O)B1OC(C)(C)C(C)(C)O1 2284123473 BHAAWDDUWFFDCH-INIZCTEOSA-N 486.440 2.445 30 10 JEEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@@H](COCc3ccccc3)C(=O)O)c(F)c2)OC1(C)C 2284402323 MVFQTENHNKAXBK-SFHVURJKSA-N 479.335 2.073 30 10 JEEE CC(C)(C)OC(=O)N1CC(OCCNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2362400508 LDTOWYSMKUESJD-UHFFFAOYSA-N 464.343 2.491 30 10 JEEE COCCCN1C(=O)C(=O)/C(=C(\O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@H]1c1ccc(O)cc1 102911056 FHUNSXWVPIYAEE-GOBJLOIFSA-N 474.535 2.101 30 10 JEEE C=CCNC(=O)CN1CCN(C(=O)c2cccn2C2CCN(C(=O)OC(C)(C)C)CC2)CC1 110382327 LMJXHGFBQSYZCU-UHFFFAOYSA-N 459.591 2.120 30 10 JEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(SC)c(OC)c2)c(=O)n1-c1ccccc1C#N 410014829 ZPGNZGCTZQRUCB-UHFFFAOYSA-N 488.594 2.306 30 10 JEEE CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2OC)S/C1=N/Cc1ccc(S(N)(=O)=O)cc1 726402319 FFIAOBOIJSJPLM-QCLNCQLRSA-N 476.580 2.191 30 10 JEEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)CCn1c(=O)nc(O)c2ccccc21 918919150 DBNQCVBTHKVIGW-INIZCTEOSA-N 464.478 2.379 30 10 JEEE CN(C)CCNS(=O)(=O)c1cccc(NC(=O)c2ccc(Br)cc2C#N)c1 1153949891 HKOSKJSDMATUBZ-UHFFFAOYSA-N 451.346 2.413 30 10 JEEE C#CCN1CCC[C@H](NC(=O)N2CC[C@@H](c3cccc(F)c3)[C@@H](NC(=O)C(F)(F)F)C2)C1 1248682572 YSPDXSABYKFVCA-FHWLQOOXSA-N 454.468 2.469 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](c1ccc(C)o1)N1CCOCC1 1286271011 PUYVHWAQGSGTLE-HKUYNNGSSA-N 463.542 2.358 30 10 JEEE C#CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1286314751 HANDFSCKTXGSLL-HNNXBMFYSA-N 486.378 2.371 30 10 JEEE C#CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1286338127 GQVDWXCWTKSBJO-RUZDIDTESA-N 477.569 2.375 30 10 JEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCn2ccnc21 1286377086 RQZHRUAACGJHRW-QZTJIDSGSA-N 455.563 2.430 30 10 JEEE C#CCN(c1nnc(-c2ccc(Br)s2)n1Cc1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 1286384363 QHFNIWSGXOPAAU-CQSZACIVSA-N 495.428 2.178 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCO3)n1CC1(S(C)(=O)=O)CCCC1 1286422737 AJIRWIDNEZIERM-UHFFFAOYSA-N 454.552 2.494 30 10 JEEE C#CCSCCn1c(N2CCC[C@H](Cn3nc(C)nc3C)C2)nnc1[C@@]1(OCC)CCOC1 1286512721 NJJVVMJMMJWACN-NZQKXSOJSA-N 473.647 2.422 30 10 JEEE C#CCSCCn1c(N2CCN(C)C(=O)[C@@H]2C)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1286513294 STCMPPXHBMZCEG-YESZJQIVSA-N 462.620 2.082 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(OC)c2)nnc1N(C)CC(=O)N1CCOCC1 1286554205 SWKQZQBXUXATKQ-KNQAVFIVSA-N 455.559 2.230 30 10 JEEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(CC(F)(F)F)CC1 1286682706 BYVXHIIOENHKHN-HNNXBMFYSA-N 452.547 2.319 30 10 JEEE C=CCCOCCn1c(Cc2csc(C)n2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1286713044 SNIGBPRBMPUBOX-AVRDEDQJSA-N 487.674 2.215 30 10 JEEE C=CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1CCC[C@@H]1NC(=O)NC1=O 1286718587 OUMSDFCVAMLBHY-HNNXBMFYSA-N 463.336 2.327 30 10 JEEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)CCCOC 1286788274 SZOMZWLDYGZPES-UHFFFAOYSA-N 450.584 2.168 30 10 JEEE C=CCNC(=O)Cn1c(N2CCN(c3cccc(C)c3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1286793899 PLXXOKJDVJEECU-RUZDIDTESA-N 468.602 2.256 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@](C)(O)CC)C1 1286805904 VGXXGQPLWQHSFK-AVRDEDQJSA-N 463.604 2.138 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](Oc2ccccc2)C1 1286814854 XILHHAQPIOOIEK-IBGZPJMESA-N 461.588 2.065 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1286820594 NXJORHGHYFWLHG-OAHLLOKOSA-N 464.510 2.468 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1286822066 GLCNJUSCJBNFGA-WFASDCNBSA-N 479.550 2.391 30 10 JEEE CC(C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1287100989 ADAOHQSKDHCLEO-UHFFFAOYSA-N 458.526 2.093 30 10 JEEE COc1cc(Cl)ccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@](F)(C#N)C1 1299910854 GBZLTNGPPPHOFQ-SGTLLEGYSA-N 456.931 2.041 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC[C@H](C(F)F)N1CCOCC1 1300284644 UFWNKVKOOMCCQW-QFBILLFUSA-N 481.569 2.163 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1C[C@@](C)(O)CCOC)[C@H]1CCS(=O)(=O)C1 1300489040 IGHSAQBUEBXLIW-RXVVDRJESA-N 466.991 2.013 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCSc1nccs1)[C@@H]1CCS(=O)(=O)C1 1300496748 UPSPEJMEVMNDLX-HZPDHXFCSA-N 467.642 2.048 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@H](C1CCCCC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1300497442 BOGMWGKGUOVTGS-XZOQPEGZSA-N 484.670 2.401 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCn2cccn2)CC1 1300732784 PGNIYJICEMODEL-NHCUHLMSSA-N 467.618 2.449 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1301588216 DDYYSSPUNJVWKD-GBESFXJTSA-N 495.646 2.076 30 10 JEEE C#CCN(c1nnc(C(C)C)n1C[C@@H](c1ccc(C)cc1)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1358954961 BGBUJWQWKAAUHD-PKTZIBPZSA-N 485.654 2.410 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Cl)n1Cc1ccc(C)n(C)c1=O)[C@@H]1CCS(=O)(=O)C1 1358959234 FEHADADMRKVFMZ-GOSISDBHSA-N 485.997 2.281 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2CCc2noc(CC)n2)CC1 1359045377 FIPDVCWKQTUEOY-UHFFFAOYSA-N 483.523 2.301 30 10 JEEE C#CCSCCn1c(COc2ccccc2OCC)nnc1N1CCN2CCOC[C@H]2C1 1359061848 NRHOQBZUNRCSGO-LJQANCHMSA-N 457.600 2.143 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1359294432 TUXZOAAQAVPOJW-IRXDYDNUSA-N 460.485 2.096 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1359294737 COAQFTKDAONAIC-QWHCGFSZSA-N 479.404 2.128 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCN(CC(F)F)CC1 1359305169 VDRIGYCJMNIYLS-UHFFFAOYSA-N 454.909 2.200 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(C(=O)OC)[C@@H](C)C2)cc1 1359306540 JXWRJPHINSYMKF-KRWDZBQOSA-N 456.547 2.306 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](CN2CCCCCC2)C1 1359327288 XQBDQLAPHINNOY-NRFANRHFSA-N 492.690 2.207 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1360562689 CKYNLFZVUCNZKN-ARFHVFGLSA-N 454.597 2.174 30 10 JEEE C#CCN(C(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1)[C@@H]1CCCc2ccccc21 1456264970 DMXVZJRLUOMLEO-PGRDOPGGSA-N 451.548 2.226 30 10 JEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCC(=O)OCc3ccccc3)CC2)cc1 1465799651 GCVLOBCRPSMEJM-UHFFFAOYSA-N 455.536 2.209 30 10 JEEE N#Cc1ccc(S(=O)(=O)NC[C@@H](O)CN2CCc3ccccc3C2)cc1Br 1475322458 FSZYJRNGLHYLIL-QGZVFWFLSA-N 450.358 2.018 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CCNC(=O)c1cccc(OC)c1 1507538713 WIDALRWUDJOSJU-GOSISDBHSA-N 457.538 2.413 30 10 JEEE C#CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1CCS(=O)(=O)CC1 1507612450 UPIPYJZKRLVNBC-SFHVURJKSA-N 465.620 2.287 30 10 JEEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1507624879 FIDAKLMKMHNTJM-NZQKXSOJSA-N 476.574 2.133 30 10 JEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CCCNC(=O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1507624929 FLSCUWZSWUGKKZ-LJQANCHMSA-N 478.018 2.388 30 10 JEEE C#CCN(c1nnc(CSc2ccc(C)cc2)n1C[C@@H](F)COC)[C@@H]1CCS(=O)(=O)C1 1507638517 RSRSNBBWGPDTQD-QZTJIDSGSA-N 466.604 2.490 30 10 JEEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1CCNC(=O)c1cccc(C)c1 1507673286 SWOAGOQTZKQALS-UHFFFAOYSA-N 474.590 2.471 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc[nH]2)n1C[C@@H]1C[C@@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1507708256 FTKYWWOVNSXMSQ-WSTZPKSXSA-N 470.574 2.384 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@H]2OCCC2(C)C)CC1 1507730877 XIFYDLAERBANNO-PMACEKPBSA-N 488.633 2.157 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@@H](C)Oc2cccc(OC)c2)CC1 1507738632 STHRSIMHIKZTDT-GOSISDBHSA-N 475.553 2.177 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(C(=O)NCCOC)CC1 1507804431 GASGZYOBGSLFJK-GMAHTHKFSA-N 485.633 2.100 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CN2CCCC2=O)n1CC1(O)CCOCC1 1507998546 GZRAUQMIYQYHTO-UHFFFAOYSA-N 450.543 2.006 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nnc(CC)s1 1508032795 HWHINDJIVAMTQL-OAHLLOKOSA-N 462.601 2.471 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](COc2ccccc2)C1 1508131628 OANYCAUXQFTPKH-LJQANCHMSA-N 473.599 2.020 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCO[C@H](c2cccc(F)c2)C1 1508144369 DDYZGIHMIVPAPE-HKUYNNGSSA-N 450.536 2.100 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H](c1ccccc1Cl)N(C)C 1510187902 AOWLWUSZGYMQOE-VHFSOBRXSA-N 484.001 2.287 30 10 JEEE CCC[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(S(C)(=O)=O)CC1 1514266790 BKXIHTJRULTAOO-JOCHJYFZSA-N 461.588 2.293 30 10 JEEE CCOCc1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@H](N1CCOCC1)C(F)(F)F 1516588572 FRPMBTUMIJODFK-FQEVSTJZSA-N 493.534 2.276 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC(C)(C)N1CCOCC1 1539025679 LBSVLUCWLXQGNA-HSZRJFAPSA-N 479.673 2.212 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2C[C@H]2NC(=O)CC2(C)C)c1 1539039665 DYTWMLCHZHBFDE-HXUWFJFHSA-N 457.538 2.311 30 10 JEEE C#CCCCCn1c(CCc2ccc(OC)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1539077848 KXDYTUBTVNFMFQ-IBGZPJMESA-N 459.616 2.346 30 10 JEEE C#CCN(C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@]1(N2CCOCC2)CCSC1 1539161529 HKQUKLYFKMMCNZ-QHCPKHFHSA-N 457.600 2.240 30 10 JEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1Cc1snnc1C)[C@@H]1CCS(=O)(=O)C1 1539206646 TUAHZDMPKDBLFS-MRXNPFEDSA-N 462.988 2.433 30 10 JEEE C#CCN(c1nnc(C2CC2)n1C[C@@H](c1cccc(OC)c1)N(C)C)[C@H]1CCS(=O)(=O)C1 1539216197 OYORQSDCVKUDEJ-FPOVZHCZSA-N 457.600 2.094 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccc(C)n3)n2Cc2ccc(C)n(C)c2=O)n1 1539424510 RTCQWKDVBQCKBV-UHFFFAOYSA-N 486.580 2.187 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2C[C@H]2CCN(CC)C2)CC1 1539481822 GQHSCMFASBRRMW-IBGZPJMESA-N 452.578 2.316 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1nc2cccc(Cl)c2n1C 1539538796 NFFQSNCQQWZQGX-LHSJRXKWSA-N 476.006 2.469 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccnc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1539628430 PVFMTEWHSHXYDJ-AZUAARDMSA-N 460.604 2.182 30 10 JEEE C=CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC(=O)N1CCOCC1 1540070934 GFAOZMOLAKVRGJ-SFHVURJKSA-N 462.595 2.264 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCOC(C)(C)C1 1540186588 FASUQWIPWJGNDA-LJQANCHMSA-N 477.631 2.119 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(O)(Cc2ccccc2F)CC1 1540877551 YZJXANAZIAQEEQ-UGKGYDQZSA-N 487.576 2.017 30 10 JEEE CCNC(=O)[C@@H]1CN(C(=O)CNC(C)=O)C[C@H]1C1CCN(c2ccc(C#N)c(C(F)(F)F)c2)CC1 1548397013 BYTYCRIBPPOFOW-VQTJNVASSA-N 493.530 2.140 30 10 JEEE C#C[C@@H](NC(=O)[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C(C)C)C1CCOCC1 1557579009 NHAIEUARCMQJCS-MSOLQXFVSA-N 457.390 2.297 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CCC(C)(C)C1CC1)[C@H]1CCS(=O)(=O)C1 1588035359 SMALGXXSQQFMLA-CVDCTZTESA-N 464.632 2.383 30 10 JEEE C#CCN(c1nnc(CC2CCCC2)n1CC[S@@](=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1588064638 MJPUMTDVFFWKOW-LDLUVENISA-N 454.662 2.185 30 10 JEEE C#CCSCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCN(C(=O)OC)CC1 1589048149 VUCCBNJQIXEPDN-UHFFFAOYSA-N 451.556 2.386 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1589557238 HDJQLIZOHRDWNB-SQJMNOBHSA-N 481.645 2.236 30 10 JEEE C=C(C)COCCn1c(C(C)C)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1593696375 OOJKNDOOWDXGFF-KURKYZTESA-N 483.635 2.121 30 10 JEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCCCC2)CC1 1594813798 YWVLZJVGKYZKGS-LJQANCHMSA-N 451.637 2.228 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(c2nccs2)CC1 1595467471 VLMDCCOJHYIKNX-UHFFFAOYSA-N 452.544 2.068 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(Cc3cn4ccccc4n3)n2CCNC(=O)C(C)(C)C)C1 1595739310 YPUADTJOSDWORG-IBGZPJMESA-N 451.575 2.460 30 10 JEEE C#CCN(C(=O)c1ccnc(S(N)(=O)=O)c1)[C@H]1CCOc2ccc(Br)cc21 1617601088 OLUWLAVQBXBRQU-HNNXBMFYSA-N 450.314 2.091 30 10 JEEE C=CCn1c(S)nnc1-c1sc(NC(=O)[C@H](NC(=O)C2CCCC2)[C@H](C)O)nc1C 1628356773 DDUXRVHLCCXSSZ-WCQYABFASA-N 450.590 2.179 30 10 JEEE C#CCN(C(=O)c1cc(Br)cc(Br)c1N)[C@@H]1CCS(=O)(=O)C1 1630830554 QMFWYHBVDKLYTA-SNVBAGLBSA-N 450.152 2.056 30 10 JEEE C=CCn1c(COc2ccc(C)cc2)nnc1S[C@H](C)C(=O)N[C@H]1CCS(=O)(=O)C1 1651887374 PMDMALCVRKJGOE-CVEARBPZSA-N 450.586 2.135 30 10 JEEE C#Cc1cccc(CNC(=O)NC2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)c1 1679170954 YEZGVNPDKMVCDP-UHFFFAOYSA-N 457.552 2.338 30 10 JEEE C#CCN(C)c1nnc(Cc2ccccc2OC)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1689969269 QWKGBNGGOIIPRW-PMACEKPBSA-N 457.600 2.151 30 10 JEEE C#CCN(CC#C)c1nnc(CSc2ccc(C)cc2)n1CCN/C(O)=C1\N=CC=CC1=O 1690028424 VRBLFMHPYSNBDN-GHVJWSGMSA-N 460.563 2.478 30 10 JEEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](CC(C)C)C1 1690313327 QMBAIFHUHAQPOU-MOPGFXCFSA-N 455.625 2.076 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1690662201 UJXPGIWLIQKTOG-CQSZACIVSA-N 478.395 2.081 30 10 JEEE C=CCOc1ccccc1Cn1c(Cc2cccnc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1690683310 HCEDAAYLSWBNEL-QFIPXVFZSA-N 462.554 2.218 30 10 JEEE CCOC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCS(=O)(=O)CC2)CCCC1 1696094525 ACDVPBHVPMVWCB-UHFFFAOYSA-N 459.572 2.313 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](c2nc(C)c(C)s2)C1 1705535087 ZYVZCBKODAACKY-MOPGFXCFSA-N 492.671 2.482 30 10 JEEE C#CCN(CC)c1nnc([C@H](C)OCCOC)n1C[C@@H]1C[C@@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1705605004 YUWLDUGFZCHYLA-YRPNKDGESA-N 477.606 2.486 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C(F)(F)F)cc1C 1705612790 PCVWTSXBVZSPKB-SFHVURJKSA-N 485.532 2.446 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cnc(C)s1 1705619318 MZECXMHJIYRZJT-CQSZACIVSA-N 462.576 2.480 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2CCNc2nccc(C(F)(F)F)n2)CC1 1705638280 FKWPTOQPEIPKKO-UHFFFAOYSA-N 471.491 2.325 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2Cc2ccc(NC(C)=O)nc2)CC1 1705649378 VSSRDXXPBKQCQW-UHFFFAOYSA-N 475.528 2.452 30 10 JEEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](O)(c2ccc(C)cc2)C1 1705680425 AOAIUVHPJXPFAE-KXBFYZLASA-N 484.420 2.203 30 10 JEEE C=C(C)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1705724431 NHPQDNOBPLOHOE-MRXNPFEDSA-N 456.572 2.264 30 10 JEEE C=C(C)COCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1705736229 OHFQBTMVQZZVNJ-SFHVURJKSA-N 465.558 2.491 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Br)c2)nnc1N(C)C[C@@H](C)C(=O)NC 1705931134 GSULNEUWLJUMSC-CQSZACIVSA-N 484.420 2.127 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H]2CCC[C@@H]21 1705931550 SOTTZXJYMQZIBN-XLIONFOSSA-N 493.655 2.175 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1705932501 FLJCUCWXWXEXNO-IBGZPJMESA-N 497.625 2.450 30 10 JEEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(Cl)c2c(c1)OCCO2 1706746499 BOOUKEIOVQMLLC-UKRRQHHQSA-N 465.963 2.391 30 10 JEEE CCN1CCN(C[C@@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(CCOC)[C@@H](C)C2)CC1 1710292455 COOYLYMRDBTQAA-PKTZIBPZSA-N 494.688 2.247 30 10 JEEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCO[C@H]2CCCC[C@H]2C)CCO1 1711362834 GROQMUBYGCMVDJ-QMMLZNLJSA-N 452.559 2.363 30 10 JEEE C#CCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1722320654 GATZUWRQBYOYBG-SFHVURJKSA-N 456.572 2.002 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1C[C@H]1CCCN(C(C)=O)C1)[C@H]1CCS(=O)(=O)C1 1722358838 GJMAFGLRUDVFCQ-RXVVDRJESA-N 490.029 2.484 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC(=O)Nc1c(C)cccc1C)[C@H]1CCS(=O)(=O)C1 1722359800 BGPMWJXIUOQTKC-SFHVURJKSA-N 466.567 2.155 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H](OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1722360481 UPDYLWUORFUVTP-WIYYLYMNSA-N 474.583 2.014 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1722364604 LZZXXOHBRQFFGC-SQNIBIBYSA-N 463.579 2.134 30 10 JEEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(N2CCCCC2=O)CC1 1722483912 FEDYUSFCFKTWIU-HNNXBMFYSA-N 486.436 2.070 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1nnc2n1CCCCC2 1722655951 NMILLBSEFHSYTB-SFHVURJKSA-N 484.630 2.447 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCCO2)n1C[C@]1(O)CCS(=O)(=O)C1 1722660104 LTOHVSIAATWRLB-SIKLNZKXSA-N 464.563 2.401 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(Cc2csc(CC)n2)CC1 1722694330 SLAOQPDWLBZCKZ-UHFFFAOYSA-N 476.610 2.460 30 10 JEEE CNC(=O)CCN(C)c1nnc(COc2ccc(C#N)cc2)n1CC1CN(C(=O)OC(C)(C)C)C1 1729712417 AIIYPYHRYNKFHD-UHFFFAOYSA-N 483.573 2.168 30 10 JEEE COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2scnc2C)CC1 1730417597 AJRZRZYQEGMGDR-UHFFFAOYSA-N 451.556 2.119 30 10 JEEE COCC[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1730624503 DXBAURBHIOKWAC-SQJMNOBHSA-N 481.601 2.186 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1740620383 WESLDJIVKSCFTH-LLVKDONJSA-N 466.283 2.225 30 10 JEEE C#CCN(c1nnc(CC2CCCC2)n1CCCN1CCCO[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1740625944 UGGSYMHQRVDXKY-IFMALSPDSA-N 477.675 2.138 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CCc1ccc(N(C)C)cc1)[C@H]1CCS(=O)(=O)C1 1740626905 WWUZYPIGKKIEOE-QHCPKHFHSA-N 478.622 2.199 30 10 JEEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CC1(O)CCS(=O)(=O)CC1 1740662187 PPBCNVZQQWDXSM-IBGZPJMESA-N 460.600 2.434 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2Cc2ccc(N(C)C)nc2)CC1 1740706715 AFONVDIDPSBGFE-UHFFFAOYSA-N 475.572 2.483 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1740763099 YQRMYLFZLLGBAJ-DYXWJJEUSA-N 481.663 2.404 30 10 JEEE C=CCCCCn1c(N2CCC([C@@H]3NC(=O)N(C)C3=O)CC2)nnc1[C@]1(OCC)CCOC1 1740866906 RCUJVTWUMYWKSI-MBSDFSHPSA-N 460.579 2.053 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(Cc2ccc(OC)c(F)c2)CC1 1740961335 ACGWCLMCPSUYPG-UHFFFAOYSA-N 479.560 2.036 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1740964062 GBCIFROKMZPEKB-GAJHUEQPSA-N 459.522 2.073 30 10 JEEE C=CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1740997313 YICWJVKZBSLHTK-AEFFLSMTSA-N 475.018 2.496 30 10 JEEE CCN1C[C@H](C)N(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C[C@H]1C 1746374920 DKJBMUXOHOCWCD-HBFSDRIKSA-N 471.631 2.017 30 10 JEEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1749043965 NDQYJTDTYBFBRC-UHFFFAOYSA-N 465.583 2.326 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@H]1CCCOC1)[C@@H]1CCS(=O)(=O)C1 1760185917 HABFFGAYCCVJIA-IAGOWNOFSA-N 464.538 2.200 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1CC(C)(C)N1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1760190527 XKEVGWCRMSSQOC-PZJWPPBQSA-N 470.643 2.477 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@](C)(O)c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1760190573 XOULKEIRWWFTFM-OFNKIYASSA-N 469.542 2.014 30 10 JEEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1CCSC(C)C)[C@H]1CCS(=O)(=O)C1 1760190626 SMKMCEBCQJLKNX-IBGZPJMESA-N 472.640 2.285 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1CCS(=O)(=O)Cc1ccccc1 1760205034 MRIUKJDKLDTECQ-UHFFFAOYSA-N 453.593 2.322 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(Br)c[nH]2)n1CCN/C(O)=C1/N=CC=CC1=O 1760211733 LRQKWAGEOIJXJR-ZZEZOPTASA-N 482.342 2.025 30 10 JEEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1CC(F)(F)CO1 1760219145 WGYRHCHJUYNYRC-LJQANCHMSA-N 455.513 2.339 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2Cc2nccc(C(F)F)n2)CC1 1760271957 STIBOCNHOMMERL-UHFFFAOYSA-N 466.496 2.006 30 10 JEEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1760275888 MHDAWEMMGYEYNY-RTBURBONSA-N 490.699 2.481 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CCSC 1760322277 QENLVMTZQXVGOX-RDGPPVDQSA-N 487.692 2.170 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1760360556 GEMZMWIBAIGUAM-MOPGFXCFSA-N 489.621 2.499 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1CC(=O)NCc1ccco1 1760479671 WVOMZEPDTKXCTP-FQEVSTJZSA-N 459.510 2.203 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1760519430 CTBQAKHXKXQZCJ-UHFFFAOYSA-N 456.432 2.354 30 10 JEEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCOC2(CCCCC2)C1 1760557205 DHWQTUVOCCNAQU-UHFFFAOYSA-N 493.655 2.410 30 10 JEEE CC[C@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1Cc1cccn(CC)c1=O 1761884149 FYNWYDGXLGMWPH-ROUUACIJSA-N 461.574 2.398 30 10 JEEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(-c2ccccc2Cl)n1CC(=O)N(C)C 1763043626 HBABAZATHYWLBT-OAHLLOKOSA-N 465.949 2.063 30 10 JEEE N#C[C@@]1(F)CCN(c2nnc(COc3ccccc3F)n2C[C@@H]2CCCCS2(=O)=O)C1 1771530233 FNTJLYULTDERJZ-YWZLYKJASA-N 451.499 2.405 30 10 JEEE CSCC[C@H](NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(=O)N1CCC[C@H](CO)C1 1868784478 XMPXFYNIZGQHSL-YSIASYRMSA-N 478.684 2.494 30 10 JEEE C=CCn1c(C(=O)NCCCOC)cc2c(N3CCN(Cc4ccc5c(c4)OCO5)CC3)ncnc21 1873593760 HZFICXZPXPKVII-UHFFFAOYSA-N 492.580 2.435 30 10 JEEE COc1ccc(OC)c(-c2ccc(=O)n(CC(=O)NCC#CCN3CCc4ccccc4C3)n2)c1 1891226376 FTTLTUKVRAKBGB-UHFFFAOYSA-N 472.545 2.105 30 10 JEEE COc1ccc([C@H]2[C@H](C(=O)N3CC(Oc4cccnc4C#N)C3)SCC(=O)N2C2CC2)cc1 1891435327 BYUKFBLLIRYSSG-XZOQPEGZSA-N 464.547 2.399 30 10 JEEE CC1(C)OB([C@]23C[C@H]2CCN(S(=O)(=O)CCN2C(=O)c4ccccc4C2=O)C3)OC1(C)C 1896955445 STEMQOSPTPZGQE-QRQCRPRQSA-N 460.361 2.171 30 10 JEEE CCNC1(C#N)CC(Cn2cnc(I)c2I)C1 2002486098 VOQZEVKNFZYKLO-UHFFFAOYSA-N 456.069 2.374 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CCC(N)=O)C(=O)N1CC[C@@H]2C[C@@]2(B2OC(C)(C)C(C)(C)O2)C1 2141247183 GCDURCWKFKOUBU-DOQJBMMISA-N 451.373 2.230 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2CO)C1 2255161971 ZSVGODGXCKAXOG-LLUXXFGUSA-N 451.564 2.027 30 10 JEEE CC(C)(C)OC(=O)NCC1(C(=O)NCc2sccc2B2OC(C)(C)C(C)(C)O2)COC1 2256677196 BIYUETPYJUNABO-UHFFFAOYSA-N 452.382 2.205 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@]2(NS(=O)(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2267375510 IIUFCGRFGDDMEI-OYHNWAKOSA-N 464.393 2.274 30 10 JEEE CC1(C)OB(c2cscc2S(=O)(=O)N2CCC[C@@H](CNC(=O)C(F)(F)F)C2)OC1(C)C 2267471830 KJXUQUBKQGBAIZ-LBPRGKRZSA-N 482.355 2.127 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H]1CCOC[C@H]1NC(=O)OCc1ccccc1 2267601623 YTGWQWYJWYFKPN-WOJBJXKFSA-N 483.374 2.138 30 10 JEEE C[C@H]1[C@H](NC(=O)C(F)(F)F)CCCN1S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2267720373 AOHYLXIFCSDQRW-WCQYABFASA-N 482.355 2.267 30 10 JEEE Cc1c(C(=O)NC[C@]2(F)C[C@@H](NC(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281796376 VPZFSVKLVNXQFI-XLOAEROZSA-N 466.363 2.153 30 10 JEEE CC1(C)OB(c2cc(C(=O)N(Cc3ccccc3)CC3(O)CNC3)n(C3CC3)c2)OC1(C)C 2281816929 FDLWUAYGMWPWAB-UHFFFAOYSA-N 451.376 2.099 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@@H]1CN(CCO)C(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2282028189 AJCDYPRXKDMFDW-OAHLLOKOSA-N 481.424 2.276 30 10 JEEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1N(C)C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2282030187 BSWPOPBVRPILLQ-WBVHZDCISA-N 460.384 2.493 30 10 JEEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCC(C)(C)N(C(=O)OC(C)(C)C)C1 2282185217 DFLSVTQYIMBFIE-AWEZNQCLSA-N 463.388 2.022 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H]2[C@H]1CCCN2C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2282188353 UTKKDNLVQKXPCC-SJORKVTESA-N 458.368 2.390 30 10 JEEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)N(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2282188948 CWQNSUPNOMNWSF-HZPDHXFCSA-N 460.384 2.493 30 10 JEEE CCn1cc(C(=O)N=[S@@](C)(=O)C[C@H](C)NC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2282535894 VELQWOOBNHLPQW-UUBFPDNSSA-N 484.428 2.353 30 10 JEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C 2282557366 UTWGMMDIIYERKQ-INIZCTEOSA-N 463.384 2.168 30 10 JEEE Cc1cc(C(=O)N=c2[nH]nc(CCNC(=O)OC(C)(C)C)o2)oc1B1OC(C)(C)C(C)(C)O1 2282575994 LDRGIARDTSIVJL-UHFFFAOYSA-N 462.312 2.012 30 10 JEEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CN(Cc2ccccc2)C2(CCC2)C1 2282681999 JCGYQFWUBHGPGA-GOSISDBHSA-N 451.380 2.041 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](CNC(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)C[C@@H]1O 2282715753 KYEFSMUSJUAFKF-IPELMVKDSA-N 460.380 2.380 30 10 JEEE Cc1nc(NC(=O)[C@H]2CC[C@@H](CNC(=O)OC(C)(C)C)O2)ncc1B1OC(C)(C)C(C)(C)O1 2283955382 LMVKDTHNJMKZKR-GOEBONIOSA-N 462.356 2.095 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1NC(=O)[C@@H]1C[C@H](O)CN1C(=O)OC(C)(C)C 2283975291 XWFUIXJROKHIEN-RDJZCZTQSA-N 462.352 2.303 30 10 JEEE CC(C)(C)OC(=O)NC[C@]12CO[C@](C(=O)Nc3ccc(B4OC(C)(C)C(C)(C)O4)cn3)(C1)C2 2284046661 DKEMTCJNWCQBBG-ZRZAMGCNSA-N 459.352 2.393 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H](COCc2ccccc2)C(=O)O)c1 2284460820 GUKKKJPBPICCLY-HXUWFJFHSA-N 455.316 2.394 30 10 JEEE CCN(CC)C(=O)COc1ccc(C=CC(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])cn3)CC2)cc1 2323178081 FTROPQMJJBWDDX-UHFFFAOYSA-N 495.536 2.168 30 10 JEEE NC(=O)CSc1nnc(CCc2cccs2)n1N=Cc1cc2c(cc1[N+](=O)[O-])OCCO2 2329652970 OWNAILMRSCGXCT-UHFFFAOYSA-N 474.524 2.264 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H](CNC(=O)OC(C)(C)C)C[C@@H]2C)n1C 2362335219 INNOPIGIXORWGV-GOEBONIOSA-N 462.400 2.403 30 10 JEEE Cc1nc(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)n1C 2362338190 CJADJTTVCBJKQE-HUUCEWRRSA-N 466.363 2.105 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@@H]2CN(Cc3ccccc3)C[C@H]2C1 2362356727 SXNFDLLJPYRYNI-UXHICEINSA-N 450.392 2.313 30 10 JEEE CCN(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nc(C)n1C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2362492371 BGYRRYPOSKFXGQ-INIZCTEOSA-N 462.400 2.499 30 10 JEEE COc1nc(O[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2N(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2365372293 BPDCSPXRSQDIGQ-DLBZAZTESA-N 463.384 2.318 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CN(c3cc(B4OC(C)(C)C(C)(C)O4)c(F)cn3)C[C@H]2[C@H]1CO 2372001627 YYUYKTBYAHUUME-HDMKZQKVSA-N 463.359 2.184 30 10 JEEE COC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OCC#N)c(=O)n2[C@H]1c1ccc(O)c(OC)c1 2113591 ZWMDUXIPRLDWIY-WLJFKGHSSA-N 491.525 2.025 30 10 JEEE COc1ccc(/C=N/Nc2nnc(SCC(=O)Nc3cc(OC)ccc3OC)n2N)cc1 20293023 DWFFFDIDOYPCTA-SSDVNMTOSA-N 457.516 2.195 30 10 JEEE N#Cc1c(NC(=O)CSc2nnc(N/N=C/c3cccc(O)c3)n2N)sc2c1CCC2 20914700 IUGRTKIKPZBGCQ-LSFURLLWSA-N 454.541 2.296 30 10 JEEE CCOc1cc(/C=N/NC(=S)NCCN2CCOCC2)cc(Br)c1OCC 169884319 VYLVLEIWJGBXSM-FYJGNVAPSA-N 459.410 2.377 30 10 JEEE N#Cc1cc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)ccc1F 728577732 VUEGYONWGCGPRE-UHFFFAOYSA-N 477.461 2.411 30 10 JEEE C#CCN(CC(=O)O)C(=O)[C@@H]1OCC[C@@H]1CNC(=O)OCC1c2ccccc2-c2ccccc21 757480618 RQGFQERKKMSHFG-MZNJEOGPSA-N 462.502 2.477 30 10 JEEE C=CCn1c(S)nnc1Cc1csc(NC(=O)[C@@]2(O)CCN(Cc3ccccc3)C2)n1 1143259324 IFUJMQQLZQGARR-OAQYLSRUSA-N 456.597 2.376 30 10 JEEE C#CCCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC(=O)N(C)[C@H](C)C1 1286319193 XPCGMWJGUDECTL-MRXNPFEDSA-N 457.604 2.017 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2CCCC(=O)NC2CC2)CC1 1286491189 IJVRTGJEGCAERL-UHFFFAOYSA-N 484.551 2.172 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)CC(=O)N1CCOCC1 1286546375 IVPFMHHKTWFTQM-REWPJTCUSA-N 496.612 2.423 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCOC2CCCC2)CC1 1286662935 BVGNHWGSASJONP-HXUWFJFHSA-N 467.636 2.363 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCCOC2)n1CCN1CCCS1(=O)=O 1286763075 SLVIUERYVSYHIR-OAQYLSRUSA-N 459.616 2.443 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCN(Cc2cscn2)CC1 1286821623 QSRPXPNDQHCIHU-UHFFFAOYSA-N 490.630 2.388 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCC(O)(C(F)(F)F)CC1 1286822978 QBIZRPLHDMONIN-UHFFFAOYSA-N 464.535 2.425 30 10 JEEE CCC(CC)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1)N(C)C 1291951503 FZUNKEVSDVFIAJ-JOCHJYFZSA-N 493.660 2.474 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCOC[C@H]1CCOC1 1300298690 GMJNKQDQEYWGDS-ZWKOTPCHSA-N 460.604 2.139 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCN1CCCO[C@@H](C)C1 1300307535 GCWGBLUCDJNLTI-RTWAWAEBSA-N 466.634 2.411 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H](CCC)OC)[C@H]1CCS(=O)(=O)C1 1300489704 QWYDLKZWVKJDAH-ROUUACIJSA-N 460.556 2.116 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1Cc1nccc(C(F)F)n1)[C@H]1CCS(=O)(=O)C1 1300499492 SRNCYFWHSCFTJH-INIZCTEOSA-N 490.511 2.411 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCOc1ncccc1F 1300516391 NALFQMDBNYOCBQ-UHFFFAOYSA-N 453.499 2.035 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccnc1OCC(F)(F)F 1300780506 RRBQYMHXKZYTJM-AUUYWEPGSA-N 486.520 2.265 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CCCC(=O)NC 1300882496 VEGLEEVFFYEUCO-JTSKRJEESA-N 479.585 2.136 30 10 JEEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(=O)c2ccc(F)cc2)CC1 1300928718 MUDYYUOYEVMEPG-OAHLLOKOSA-N 464.567 2.002 30 10 JEEE C=CCCCCn1c(-c2cc(F)ccc2Br)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1301175958 MFOKURHQQBEGNX-OAHLLOKOSA-N 491.365 2.350 30 10 JEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC[C@H]1CCCCO1)C1CC1 1301326575 CISRXTOSZKSUMJ-RTBURBONSA-N 453.609 2.115 30 10 JEEE CC(=O)N1CCC[C@H](Cn2c(-c3csc(N4CCOCC4)n3)nnc2N(C)C[C@H](C)C#N)C1 1301680946 GVDUCVDKXIUIIK-AEFFLSMTSA-N 472.619 2.093 30 10 JEEE CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1313557080 BWYKGBZECFRXOC-OAQYLSRUSA-N 491.600 2.332 30 10 JEEE CNC(=O)c1cccc(Cn2c(CNC(=O)c3cccs3)nnc2N2CCC(C#N)CC2)c1 1314981608 HYSSWXLEEPDQCJ-UHFFFAOYSA-N 463.567 2.417 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1CCOC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1358964849 IKQUCWVMBNMSAC-SLYNCCJLSA-N 460.575 2.307 30 10 JEEE C#CCN(c1nnc(CC2CCCC2)n1CCCNC(=O)c1cccc(O)c1)[C@@H]1CCS(=O)(=O)C1 1358966079 HNFRBXXGHDMYKW-OAQYLSRUSA-N 499.637 2.163 30 10 JEEE C#CCN(CC#C)c1nnc(CSc2ccccc2OC)n1CC1CCS(=O)(=O)CC1 1358983352 DXLBNHNUZURTHZ-UHFFFAOYSA-N 458.609 2.477 30 10 JEEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@]1(O)CCCC1(C)C 1359024202 HHMQNDXCIBNYNN-RUZDIDTESA-N 467.618 2.479 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCCO3)n2C[C@H]2CC(F)(F)CO2)n1 1359028240 LYAKZFSGVYEFHH-RTBURBONSA-N 464.517 2.427 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@](C)(O)CCC)CC1 1359029096 OMIRVVULBNJDJM-HSZRJFAPSA-N 458.994 2.168 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2ccc(COCCOC)cc2)CC1 1359035030 JALDMQNOWXLSKM-QHCPKHFHSA-N 453.587 2.486 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCC(=O)NCCC)CC1 1359043729 GFAKLOBBKNGYFI-UHFFFAOYSA-N 488.596 2.013 30 10 JEEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 1359125372 AMUUDXUGHGHXKP-SRUXOGRHSA-N 474.650 2.395 30 10 JEEE C=CC1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H](C)N2CCOCC2)CC1 1359175540 PZHYJBQQAPUURX-GOSISDBHSA-N 459.616 2.472 30 10 JEEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCNC(=O)c1ccco1 1359233264 XOSPBGKEBDDRBY-UHFFFAOYSA-N 457.560 2.192 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)c1cccc(OC)c1 1359240454 OTHJCZDQAKDTGY-IBGZPJMESA-N 463.604 2.220 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1359334024 QVAYTKPYJWFGHB-GOSISDBHSA-N 478.590 2.383 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccc(N2CCOCC2)nc1 1359468209 HASZRFWRGWCXKZ-SFHVURJKSA-N 495.609 2.224 30 10 JEEE CC(C)C(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC2CCOCC2)CC1 1359642760 CCWGRLSDYAXWPL-UHFFFAOYSA-N 495.628 2.050 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2ccc(F)cc2)CC1 1360475756 DJNSIZBNUQZZTB-LPHOPBHVSA-N 476.578 2.220 30 10 JEEE C#C[C@@H](CC)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 1467771650 TZIIMJCBAZBDFQ-HRAATJIYSA-N 454.508 2.494 30 10 JEEE C[C@H]1COC(C)(C)CN1c1nnc(COc2ccc(C#N)cc2)n1CCCc1cnn(C)n1 1505292038 BJKBNDQSXQKCKN-KRWDZBQOSA-N 450.547 2.494 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H](C)N(C)C)c1 1507549615 JDWWYXLUBUMNTK-CLOONOSVSA-N 468.602 2.325 30 10 JEEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCOc1ncccc1F 1507615893 CIKPXUUUJUSIAR-QGZVFWFLSA-N 460.510 2.269 30 10 JEEE C#CCN(c1nnc([C@@H](C)CC)n1CCc1ccc2c(c1)OCCO2)[C@@H]1CCS(=O)(=O)C1 1507623217 PQYNWCXGQFZQLE-PKOBYXMFSA-N 458.584 2.432 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H]1CCSC1)[C@@H]1CCS(=O)(=O)C1 1507628058 MVOVAQNUOGISDU-SJLPKXTDSA-N 476.624 2.342 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H](c1ccccc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1507633776 GZYJFPKCLCAEDG-PKTZIBPZSA-N 478.622 2.194 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1Cc1cccc(N2CCOCC2)n1 1507636306 BRKNVVCMSBOKCT-UHFFFAOYSA-N 483.576 2.500 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CC[C@H](F)C1)[C@H]1CCS(=O)(=O)C1 1507641081 YXZIOFOGIDYPAD-AABGKKOBSA-N 471.558 2.494 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2CCC(=O)NC)CC1 1507720850 NARBOFWAPOKXRP-UHFFFAOYSA-N 465.783 2.252 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(C(=O)N(CC)CC)cc2)CC1 1507732567 WODCRHNGKDARQH-JOCHJYFZSA-N 450.587 2.068 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2CCNC(=O)C(C)C)CC1 1507739442 HVQFGZVYZNOEKZ-UHFFFAOYSA-N 475.597 2.088 30 10 JEEE C=C(Br)Cn1c(-c2cc(Br)cn2C)nnc1N1CCN(C(=O)NC)CC1 1507778274 CVKHBZPPJIQFEQ-UHFFFAOYSA-N 487.200 2.416 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(OCCN2CCCC2)CC1 1507792550 ZYEWRZUFZCDHFT-IRLDBZIGSA-N 474.650 2.479 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(NC(=O)CC(C)C)c1 1507983793 SBZHSXYMYLBKEN-FQEVSTJZSA-N 490.630 2.266 30 10 JEEE C=CCN(c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1NC(=O)CC1(C)C)C1CC1 1507988879 SQQRTNCQDNIJME-LJQANCHMSA-N 472.615 2.265 30 10 JEEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(CC(F)(F)F)CC1 1508047871 KDIMFBKHKWAJKN-UHFFFAOYSA-N 458.510 2.066 30 10 JEEE CC(C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1508812290 BMFVBBCGFGRXPC-OAQYLSRUSA-N 473.585 2.484 30 10 JEEE COc1ccc(CCn2c(Cc3ccccn3)nnc2N2CCO[C@@H](C#N)C2)c(OC)c1OC 1518229774 HCXUSRUAFGGYDO-IBGZPJMESA-N 464.526 2.261 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1ccc(F)cn1)[C@H]1CCS(=O)(=O)C1 1539206693 UYXZGKYRZFLMSO-IBGZPJMESA-N 470.486 2.062 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H](C(=O)NCCC)C1 1539647051 VCLKBXBWBPSNGB-IPJJNNNSSA-N 458.607 2.124 30 10 JEEE C=CC[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(N)=O)CC1)c1ccccc1 1539948160 OOAMPAPVHQAFDW-PMACEKPBSA-N 457.600 2.242 30 10 JEEE C=CCN(c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCOC[C@@H]1C)C1CC1 1540108041 GRVLFJWCFXTGJS-AZUAARDMSA-N 476.622 2.462 30 10 JEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(Nc2cccc(C)c2)CC1 1540858409 VUPHJXZAEOSVIP-HXUWFJFHSA-N 460.604 2.186 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1540862782 JFBOLTJBUKQDRQ-XDHUDOTRSA-N 483.548 2.345 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H]2COCCO2)C1 1540883935 HCYRICXMGOVVPW-JKSUJKDBSA-N 452.353 2.243 30 10 JEEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 1540898830 WGQKZVNNHPWCRI-OAHLLOKOSA-N 452.968 2.091 30 10 JEEE CCC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1)OC 1546908464 HKGGVHAVWSKJAT-NHCUHLMSSA-N 452.559 2.459 30 10 JEEE N#Cc1ccc(N2CCC3(CC2)C[C@H](C(N)=O)N(C(=O)Cn2cccn2)C3)cc1C(F)(F)F 1548379512 DAJYEEJOIBIPBD-GOSISDBHSA-N 460.460 2.147 30 10 JEEE COCC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1555421076 GQHZHCGPSAOIRD-PXDATVDWSA-N 468.602 2.153 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CCCN(C(=O)c3cccc(F)c3)CC2)C1 1564530671 HCLOJUIAYSKMJV-PKOBYXMFSA-N 459.522 2.442 30 10 JEEE C=CCNS(=O)(=O)c1cccc(C(=O)NCc2nc3cc(Br)cnc3[nH]2)c1 1565740941 PDWKEAUJVQBOBQ-UHFFFAOYSA-N 450.318 2.115 30 10 JEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCn1cc(Br)cn1 1588138451 CYMRMALFDHWHHN-UHFFFAOYSA-N 494.401 2.184 30 10 JEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N(C)Cc1nc(O)c2sccc2n1 1589109529 DQEAKAUVPMOLRJ-UHFFFAOYSA-N 457.585 2.114 30 10 JEEE C#CCNS(=O)(=O)c1cccc(C(=O)NCc2ccc(Br)cc2[N+](=O)[O-])c1 1589276806 GLAZCAKZTNPJGQ-UHFFFAOYSA-N 452.286 2.199 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1589567571 FEYNYKANOZTPMK-XAISMOLKSA-N 488.677 2.422 30 10 JEEE C=CC[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O)c1ccccc1 1594536972 ZUVXYLZOZSXNFW-IBGZPJMESA-N 479.585 2.297 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C)CC1 1595100849 VTHFKUBKQJPDNO-FQEVSTJZSA-N 470.599 2.475 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1595496773 GSSCWJMKANYNDC-UHFFFAOYSA-N 466.586 2.485 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC(=O)N(C)Cc2ccccc2)C1 1595674229 ODFMPOHQQSKORC-HXUWFJFHSA-N 475.553 2.365 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC(Oc2ccc(F)cc2F)CC1 1595758726 CDGZIDRMKZUGNF-UHFFFAOYSA-N 497.568 2.343 30 10 JEEE CCS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H]1C1CCC1 1617399338 GIAOWUZEDNVFGA-HXUWFJFHSA-N 458.588 2.437 30 10 JEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@H](CC)[C@H](O)C(F)(F)F)nnc12 1638536117 RUFMVAQVWKMYET-DOMZBBRYSA-N 455.462 2.140 30 10 JEEE C#CCOc1cccc(Cl)c1CNC[C@H]1CCn2ncc(C(=O)N3CCN(C)CC3)c2C1 1657860904 RADDGJZQITUEJX-SFHVURJKSA-N 455.990 2.288 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CCCO[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1689983979 IROFXAYHEYZNOE-FCHUYYIVSA-N 472.611 2.330 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@H](C)Oc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1689992479 LFENGZUBAPNYIF-FPOVZHCZSA-N 495.605 2.367 30 10 JEEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCn1cc(Cl)cn1 1690047438 QVJPXXUSLWLFTR-UHFFFAOYSA-N 463.977 2.465 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCc2cccc(C(=O)NC)c2)CC1 1690117865 YHJQSUPEBIBIKU-UHFFFAOYSA-N 463.973 2.351 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCOc2cccc(C)c2)CC1 1690152187 BCTYPPZLFVHPJA-UHFFFAOYSA-N 475.597 2.493 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2c(cccc2OC)C1 1690237116 VPGGSXMCYTXEHL-MMOPVJDHSA-N 475.615 2.441 30 10 JEEE C=CCCOCCn1c(-c2ccccn2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1690503914 RSYMWTOXQGQWAO-OFNKIYASSA-N 467.618 2.312 30 10 JEEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 1690511156 REOJNMQJUYMQRN-GOSISDBHSA-N 462.595 2.439 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCN(CC(F)F)CC1 1690669115 UXXWSVMKTOABHO-UHFFFAOYSA-N 457.485 2.289 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1690717896 URNVKKGUHILVTL-GOSISDBHSA-N 477.587 2.269 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@@](C)(O)c2ccsc2)c1 1705505583 QLSLEIJDWOZEML-NTKDMRAZSA-N 478.578 2.255 30 10 JEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(O)(Cc2ccccc2F)CC1 1705531956 BFSUTHJGBCMVDW-LJQANCHMSA-N 460.575 2.307 30 10 JEEE C#CCN(c1nnc(C(C)C)n1Cc1ccccc1-c1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 1705561802 WNCJLBZWCFMMAM-HXUWFJFHSA-N 452.584 2.477 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(Br)s2)n1CCN/C(O)=C1/N=CC=CC1=O 1705577594 LYODHPVCWGGXMJ-ZPHPHTNESA-N 485.367 2.368 30 10 JEEE C#CCN(CC)c1nnc(Cc2csc(C)n2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1705615928 NEOWVQVLPMDVBY-IEBWSBKVSA-N 462.645 2.298 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@@H](C)CN2CCOCC2)CC1 1705632920 FIUYHZCPXHGPAY-LEWJYISDSA-N 470.593 2.281 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2ccc(N(C)C)nc2)CC1 1705646676 NHGOVLNHVUSNSN-UHFFFAOYSA-N 488.552 2.328 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cccnc2OCCOC)CC1 1705647049 YJRHLSLGWFKOTP-UHFFFAOYSA-N 499.575 2.251 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2Cc2conc2COC)CC1 1705650971 FIUPKFGOUJKCLG-UHFFFAOYSA-N 482.516 2.145 30 10 JEEE C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1705723576 CTKHLMAGVIYXDS-UHFFFAOYSA-N 456.547 2.113 30 10 JEEE C=C(Cl)Cn1c(COCC)nnc1N1C[C@@H](C(=O)OC)[C@H](CNC(=O)OC(C)(C)C)C1 1705758696 AHGLYNYELACUAT-HUUCEWRRSA-N 457.959 2.317 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC(c3cnn(CC)c3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1705907991 DSJZFCKYURVBJU-XMMPIXPASA-N 471.606 2.221 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCN(c2cccc(F)c2F)CC1 1705937330 QMECCPHWFWDOBN-UHFFFAOYSA-N 488.564 2.470 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1705937764 DHGVSJUDOKEHEF-QAPCUYQASA-N 454.980 2.318 30 10 JEEE COCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)c2ccsc2)CC1 1712463313 HQCSSFJNUSFFPD-UHFFFAOYSA-N 452.540 2.399 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccn(-c2ccc(F)cc2)n1 1722295760 MBZIYMDJKRIJBE-DLBZAZTESA-N 456.547 2.206 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2Cc2ncnn2C(C)(C)C)c1 1722307679 UDXZCCHAUAKFME-UHFFFAOYSA-N 450.547 2.266 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H](c1cccnc1)C(C)C)[C@@H]1CCS(=O)(=O)C1 1722362019 QXGVGLUYUXBWDO-UXHICEINSA-N 465.583 2.197 30 10 JEEE C#CCN(c1nnc(-c2cn(C)c3ccccc23)n1CCC(=O)NC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1722362762 WEUIZNKXUYHKQK-SFHVURJKSA-N 496.637 2.368 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CCc1ccc(NC(C)=O)cc1)[C@H]1CCS(=O)(=O)C1 1722365289 MERNDGSBDIYPKD-QHCPKHFHSA-N 492.605 2.092 30 10 JEEE C=C(C)COCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1722529974 JHPZKSXQTRKRLT-RBUKOAKNSA-N 451.579 2.432 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N(C)Cc1cc2c(cc1OC(F)F)OCO2 1722702135 FJWHDVOHAKVUHT-CQSZACIVSA-N 465.457 2.398 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C[S@](C)=O)cc2)C1 1722708967 HFYOQOHSODKYMT-CGKQSPDFSA-N 457.600 2.222 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccnc3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)C1 1722712704 YCPMFUIPNNFCSL-NHCUHLMSSA-N 453.591 2.064 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2c(F)cccc2F)C1 1722717351 ADLSYNASCFSHNB-CVEARBPZSA-N 452.527 2.482 30 10 JEEE CCCNC(=O)CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC(C#N)CC1 1728190542 GAWRTIULEJDDHN-UHFFFAOYSA-N 462.558 2.331 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1CCn1cc(Br)cn1)[C@@H]1CCS(=O)(=O)C1 1740617756 WXUWPPRONWVBBS-GDBMZVCRSA-N 469.409 2.078 30 10 JEEE C#CCN(c1nnc(-c2ccccc2F)n1CCCN1C[C@H](C)O[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1740620888 HEUJWJYXTNCZQT-UFYCRDLUSA-N 489.617 2.210 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1ccc(F)c(COC)c1)[C@@H]1CCS(=O)(=O)C1 1740627338 PPARKVTZRJETNC-UYAOXDASSA-N 476.574 2.133 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1conc1COC 1740653408 LOMYVJLTJAWANX-UHFFFAOYSA-N 471.521 2.321 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2cccnc2OC)CC1 1740700826 JKLNJNWPBWQRDZ-BGYRXZFFSA-N 481.601 2.256 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CCC(=O)N(C)C)CC1 1740701332 CSCZDCKFINIZFN-UHFFFAOYSA-N 496.612 2.185 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC[C@@H]2COCCO2)CC1 1740702247 KGKKIOMHYFDLQM-PGRDOPGGSA-N 485.560 2.329 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)CCNS(C)(=O)=O 1740751789 OOUZDSKOJDZYOJ-UYAOXDASSA-N 490.630 2.114 30 10 JEEE C=C(C)Cn1c(COc2ccc(OC)cc2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1740785740 YLGQQBYWMVYCHZ-HSZRJFAPSA-N 454.531 2.256 30 10 JEEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 1740880818 OFTDCRBJDYMXAG-UHFFFAOYSA-N 469.546 2.342 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2ccccc2F)C[C@@H]1C 1740966648 VIQDBRAPGROOAX-SPEDKVCISA-N 472.565 2.159 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3ccccc3n2)nnc1N1CCC(C(=O)OC)CC1 1740988868 RUXXPAVOPMVPHW-UHFFFAOYSA-N 469.567 2.484 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CC[C@@H](N(C)Cc2ccccc2)C1 1740993089 YELHJKGGZIWIBE-LEWJYISDSA-N 459.616 2.094 30 10 JEEE C=CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1741005862 UFPOJJHTEYDZGM-SFHVURJKSA-N 453.572 2.204 30 10 JEEE COc1c(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@@H](C)CC#N)oc2ccccc12 1748506996 FUFJNHMAPPKZAH-HNAYVOBHSA-N 488.570 2.152 30 10 JEEE C#CCCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(NS(=O)(=O)CC)CC1 1748708828 HSXYPOZQVRDDSO-UHFFFAOYSA-N 473.599 2.428 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCc1nccs1)[C@@H]1CCS(=O)(=O)C1 1748809861 WUONMAYZZINNPW-QGZVFWFLSA-N 472.552 2.179 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCCOc2ccccc2C)CC1 1749008802 GGGWFXUMYRJGCX-UHFFFAOYSA-N 461.570 2.422 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCC2(CCN(C)C2=O)CC1 1749119562 UGWIHLCCJZLDAW-AQNXPRMDSA-N 461.607 2.432 30 10 JEEE COCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(c2ccccc2C#N)CC1 1749280010 CPSBXCLZXJXPGT-IBGZPJMESA-N 451.575 2.490 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1749660052 NCKHBABFLNPJQD-GUYCJALGSA-N 467.448 2.175 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1749680216 HEYXEDLMLOMIHF-SBUREZEXSA-N 459.522 2.073 30 10 JEEE C#CCCCn1c(-c2cccc(C)n2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1760152771 YRHNUKWLWZBHJC-QFIPXVFZSA-N 451.619 2.293 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCC[C@H]1OC)[C@@H]1CCS(=O)(=O)C1 1760191698 LUSBJOHSNFPDSX-TUNNFDKTSA-N 483.594 2.171 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1CC[C@@H](C(F)F)N1CCOCC1 1760196075 OEHVIHPUZWOKHO-KRWDZBQOSA-N 481.345 2.465 30 10 JEEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCN([C@H](C)c2nc(CC)no2)CC1 1760284535 OIICFAQRUVYDMO-GOSISDBHSA-N 466.615 2.459 30 10 JEEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1760306702 JUWAEENFNIWNHD-NSHDSACASA-N 495.325 2.324 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cc(F)cc(OC)c2)C1 1760542074 CRGIHYHWWIXPSZ-WMZOPIPTSA-N 450.536 2.158 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCO[C@@H](c2nnc(C(C)C)o2)C1 1760549032 VFVGQSKTOHEHLO-HZPDHXFCSA-N 452.581 2.477 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCC(CN2CCOCC2)CC1 1760551272 ZGUSZDTVBKOUTB-UHFFFAOYSA-N 489.642 2.103 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCOC(C)(C)[C@H]1C 1760554598 HXWGYOXHFXZCDJ-VQIMIIECSA-N 462.572 2.395 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCC(C#N)CC2)n1Cc1ccccc1S(=O)(=O)N(C)C 1764108425 IFBIQECTLXYQPE-UHFFFAOYSA-N 487.630 2.235 30 10 JEEE CCN(c1nnc(COc2ccc(C#N)cc2)n1CC1([S@@](C)=O)CCC1)[C@H]1CCS(=O)(=O)C1 1764823326 HCPYLBSZBAHEMV-HYHKQLJDSA-N 491.639 2.043 30 10 JEEE CCN(CCn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1)C(C)C 1765220565 HBCARNYDQWTQPO-UHFFFAOYSA-N 478.645 2.438 30 10 JEEE CO[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1)C(C)C 1768075375 CWBILWZKALHWAZ-NSISKUIASA-N 476.603 2.009 30 10 JEEE COc1ccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCN2CCOCC2)cc1OC 1862596822 PUEJYXCXPCJVBX-JOCHJYFZSA-N 468.506 2.320 30 10 JEEE CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1ccc2c(c1)OCCO2 1862630731 ASWQCAOGHLWBFQ-OAQYLSRUSA-N 452.463 2.326 30 10 JEEE C=CCNC(=O)C1=C(N)Oc2c(c(CC)nn2-c2ccccn2)[C@@H]1c1ccc(O)c([N+](=O)[O-])c1 1864953435 KBAYUZMJGNMFON-SFHVURJKSA-N 462.466 2.440 30 10 JEEE N#Cc1nnn(Cc2ccc(F)cc2)c1NC(=O)CN1C(=O)c2ccc(Br)cc2C1=O 1870112015 MAAVGRULDOSKGE-UHFFFAOYSA-N 483.257 2.334 30 10 JEEE C=CCn1cc(OCC(=O)N(C)C2CCCCC2)c(=O)cc1CN1CCN(c2ncccn2)CC1 1870505351 UOCFUGJABDFWJF-UHFFFAOYSA-N 480.613 2.316 30 10 JEEE C#CCOc1cn(CCCCCCO)c(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1=O 1870562710 SCUIFMUWDSRTRX-UHFFFAOYSA-N 481.593 2.460 30 10 JEEE CN(C)c1ccc(/C=N/n2c(SCC(N)=O)nnc2[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1 1874210225 NVDPEPQTFBJSFG-JMJNUIHMSA-N 477.594 2.320 30 10 JEEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)c3cncc(N4CCCC4)c3)CC2)CC1 1889484126 KHFNGMUOZKMPEM-UHFFFAOYSA-N 453.631 2.332 30 10 JEEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)[C@H](C)Oc3ccc4c(c3)OCO4)CC2)CC1 1891096570 OVIJOJXTINDHCD-NRFANRHFSA-N 471.598 2.220 30 10 JEEE COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)N2CC=C(c3cncc(C#N)c3)CC2)cc1 1892025643 CCGNSPZGJRRWFC-UHFFFAOYSA-N 484.578 2.166 30 10 JEEE CC(C)(C)OC(=O)N1CCS(=O)(=NC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)CC1 2255639375 SNSPGNFUUZFOAF-UHFFFAOYSA-N 471.410 2.301 30 10 JEEE CC1(C)OB(c2ccoc2C(=O)N[C@H]2COCCN(C(=O)OCc3ccccc3)C2)OC1(C)C 2255813984 SUDZDTHXOZPZNW-GOSISDBHSA-N 470.331 2.346 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCO[C@@H]1C(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)cs1 2256615644 WDFINJFHNZPTFW-HOTGVXAUSA-N 452.382 2.346 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2256619724 BEHCXSPEGLSVHN-OLZOCXBDSA-N 452.386 2.281 30 10 JEEE CC1(C)OB(c2csnc2C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)OC1(C)C 2266991885 LZUANHSOGFBAAE-SFHVURJKSA-N 457.405 2.463 30 10 JEEE COC[C@]1(NC(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)CCN(C(=O)OC(C)(C)C)C1 2266996932 AMDZCWRUKIVUQI-NRFANRHFSA-N 467.397 2.198 30 10 JEEE CC(C)(C)OC(=O)NCCN1CCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)CC1 2267287790 WQABRHCNDWCSOR-UHFFFAOYSA-N 465.425 2.330 30 10 JEEE C[C@@H]1CN(Cc2ccccc2)C[C@H]1NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2267473485 GSJZYXJUOZFKTI-SJLPKXTDSA-N 477.461 2.382 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1S(=O)(=O)N(CCC(N)=O)Cc1ccccc1 2267705949 ORXWPXGGNWLNLC-UHFFFAOYSA-N 458.389 2.361 30 10 JEEE C[C@H]1C[C@H](NC(=O)C(F)(F)F)CN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2267730307 XWLVUWWPDUPYQH-RYUDHWBXSA-N 482.355 2.125 30 10 JEEE C[C@H]1CC[C@@H](CNC(=O)OC(C)(C)C)N(C(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)C1 2281960981 HFROEPIPMYIXGD-HOTGVXAUSA-N 462.400 2.485 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2CN(Cc3ccccc3)C[C@@H]2C1 2282021674 OIQRJJVJPARDQM-WOJBJXKFSA-N 450.392 2.406 30 10 JEEE Cn1cc(C(=O)N2C[C@H]3CCN(Cc4ccccc4)C[C@H]3C2)nc1B1OC(C)(C)C(C)(C)O1 2282044923 SMKHGFZVAMRWIB-UXHICEINSA-N 450.392 2.313 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@]1(F)C[C@H](NC(=O)OC(C)(C)C)C1 2282607109 IEGQVPRGQNJTJC-CAJLXGCNSA-N 466.363 2.327 30 10 JEEE C[C@@H](CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 2282614404 IKMQPQSPSFAMOB-NPMXOYFQSA-N 463.384 2.052 30 10 JEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2282624515 MOGWGTIKJOGZJP-JKSUJKDBSA-N 462.400 2.342 30 10 JEEE Cc1cccc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2O)c1B1OC(C)(C)C(C)(C)O1 2282688835 ZVLJGHFTRMLWAH-ZWKOTPCHSA-N 460.380 2.394 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCc2csc(CNC(=O)OC(C)(C)C)n2)n1 2286746044 FKSLIIWFBRZJPL-UHFFFAOYSA-N 477.396 2.131 30 10 JEEE C[C@H]1CN(C(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)CC2(CN(C(=O)OC(C)(C)C)C2)O1 2288586899 WKBIVGSYXRHRFP-AWEZNQCLSA-N 479.408 2.293 30 10 JEEE CC(C)(C)OC(=O)N1CC(OCCNC(=O)c2c(F)cccc2B2OC(C)(C)C(C)(C)O2)C1 2362400583 LVMKOXAOPZXILA-UHFFFAOYSA-N 464.343 2.491 30 10 JEEE CCn1c(CCC(=O)N[C@H](C#N)c2ccccc2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 9219570 JNIXFYJEEZEYDL-OAQYLSRUSA-N 481.578 2.391 30 10 JEEE COc1ccc(Cl)cc1NC(=O)CSc1nnc(N/N=C/c2ccc(O)cc2O)n1N 20292354 LJKUNOSRANKALU-ODCIPOBUSA-N 463.907 2.242 30 10 JEEE CCOC(=O)C1CCN(C(=O)c2ccc(NC(=O)Cn3c(C)cc(C)c(C#N)c3=O)cc2)CC1 21354771 QYBSAULPLRYDTQ-UHFFFAOYSA-N 464.522 2.391 30 10 JEEE CC(=O)Nc1cccc(NC(=O)CSc2nnc(N/N=C/c3ccccc3[N+](=O)[O-])n2N)c1 59884627 LUTYBBPNYZPUKV-UFFVCSGVSA-N 469.487 2.035 30 10 JEEE COc1cccc([C@@H]2/C(=C(/O)c3c(C)nc4ccccn34)C(=O)C(=O)N2CCN2CCOCC2)c1 108302508 TVRRBOZUBSPVQZ-KXNAUXDSSA-N 476.533 2.405 30 10 JEEE CCCCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1cc(C)ccc1F 729668841 FOGCJQZJCXJXSR-UHFFFAOYSA-N 475.549 2.414 30 10 JEEE C#CCNS(=O)(=O)c1ccc(C(=O)NC2CCN(C(=O)c3ccc(OCC)cc3)CC2)cc1 811335843 SYSIXTJFMQSPHS-UHFFFAOYSA-N 469.563 2.031 30 10 JEEE C=CCn1c(CCN2CCCCC2)nn(CN2CCN(c3nccc(OC)n3)CC2)c1=S 919945309 AQANBIZSZALECZ-UHFFFAOYSA-N 458.636 2.207 30 10 JEEE COc1ccc(C(=O)N2CCN(C(=O)Nc3ccc(S(=O)(=O)[C@@H](C)C#N)cc3)CC2)cc1 1203384459 IEVHKKNPQPQDCL-INIZCTEOSA-N 456.524 2.371 30 10 JEEE Cc1nn(C)c(N2CCN(C(=O)NC[C@@]3(C)CCCN(C(=O)OC(C)(C)C)C3)CC2)c1C#N 1230778320 HTIOVUIDIZKEIK-HSZRJFAPSA-N 459.595 2.469 30 10 JEEE C#CCCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1286319109 VWGLOUUQDBACJB-UHFFFAOYSA-N 466.586 2.468 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(SC)CCOCC1 1286424706 IDVIAXLSVKJLST-UHFFFAOYSA-N 462.583 2.296 30 10 JEEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1Cc1ncnn1C(C)(C)C 1286433570 HNSCRAXVXFZQBY-UHFFFAOYSA-N 450.572 2.127 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@H](C)CN2CCOCC2)CC1 1286483936 ASIDIQKCOICDAY-OAQYLSRUSA-N 466.630 2.197 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2CCC(=O)NC(C)(C)C)CC1 1286491238 JPSJEVHTXNBHST-UHFFFAOYSA-N 464.614 2.448 30 10 JEEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCN(CCN2[C@@H](C)CC[C@@H]2C)CC1 1286606797 AVQKQKFUPHFCAJ-SFTDATJTSA-N 456.639 2.266 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 1286784982 AOMYTQGCWRGDBQ-INIZCTEOSA-N 454.556 2.243 30 10 JEEE C=CCOc1ccccc1Cn1c(-c2noc3c2COCC3)nnc1N(C)[C@H](C)CC(N)=O 1286795606 KIEVOFIPOKEPNN-OAHLLOKOSA-N 452.515 2.319 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(Cc2ccccc2)C[C@H]1C 1286820395 KWSWLLCNYZUUKT-IFMALSPDSA-N 473.643 2.484 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2OCC[C@H]2C)c1 1300336581 KECBIERRIKMPQN-DYJCROTPSA-N 467.570 2.483 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2CCc2ccccn2)c1 1300336722 MQCGKDARQMWCKZ-UHFFFAOYSA-N 457.538 2.094 30 10 JEEE C#CCCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1300362810 AGSXFTKFDGKTMV-RXVVDRJESA-N 473.599 2.360 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1ccc(OCC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1300495575 INVCLMFAXOCPJC-WOJBJXKFSA-N 488.610 2.254 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1cc(C)cc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1300501218 HUZRUCLACONFTE-OAQYLSRUSA-N 465.579 2.256 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OC)cc1C(F)(F)F 1300509751 UECLDYDXIUSUJO-CQSZACIVSA-N 469.489 2.037 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(c2ccccc2OC)CCC1 1300556682 LNUIUAVEYXGZRT-LJQANCHMSA-N 469.611 2.482 30 10 JEEE C=C(Br)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(C(=O)NCCCOC)CC1 1300857842 ZYKYZIAALHZQGG-UHFFFAOYSA-N 494.438 2.417 30 10 JEEE C=CC1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CC(=O)N(CCOC)C2)CC1 1301129818 CITKSWGGVSNJCD-GOSISDBHSA-N 472.615 2.167 30 10 JEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CCC(C)(C)C)CC1 1301222962 JZLRHDKIDINBNU-IBGZPJMESA-N 468.668 2.135 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(OC2CCCC2)CC1 1301478034 GYDRRDODZKICKN-UHFFFAOYSA-N 453.547 2.156 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1301568797 KFKWGLRJFNBNJD-YLJYHZDGSA-N 488.589 2.335 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N(C)C[C@@H]1COc2ccccc2O1 1301592911 GMJYHMNWUIERMO-LJQANCHMSA-N 486.598 2.017 30 10 JEEE CCOc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCC(=O)NC2CC2)cc1OC 1314178691 FRVBVISEOWPEHF-GOSISDBHSA-N 454.531 2.140 30 10 JEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2cc(OC)c(C)cc2C1 1358913037 DIMDBBFXCYYSQJ-QFIPXVFZSA-N 487.626 2.294 30 10 JEEE C#CCCCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1358924147 NMPJPPSXJWRGIH-FXAWDEMLSA-N 455.994 2.396 30 10 JEEE C#CCN(c1nnc(C(C)C)n1Cc1ccc(N2CCOC2=O)cc1)[C@@H]1CCS(=O)(=O)C1 1358955967 XQKRMUWGBOZOHF-LJQANCHMSA-N 457.556 2.033 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1CCCCN1CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1358960361 CQNMHBVVEHFLMF-IRLDBZIGSA-N 470.643 2.479 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1cnn(CC(C)C)c1C)[C@@H]1CCS(=O)(=O)C1 1358961271 VMWZXJVJNLLRDG-OAQYLSRUSA-N 481.626 2.484 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC(=O)NCc2ccco2)CC1 1359039659 QMCPCKPIJNBLEU-FQEVSTJZSA-N 497.600 2.015 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC2([S@@](C)=O)CC2)CC1 1359040795 GSHCYMCHGDPSSB-TXULOHPCSA-N 487.601 2.434 30 10 JEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](CN2CCC(C)CC2)C1 1359049915 YSCWHOBEKJOKTE-VQTJNVASSA-N 482.720 2.203 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](CN(CC)CC(F)(F)F)C1 1359056513 GPRLAOZCZRTNGU-SJORKVTESA-N 493.621 2.257 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCC(=O)N(C)C 1359065360 OYAUIYQMFCFTNX-HSZRJFAPSA-N 471.631 2.407 30 10 JEEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C(=O)OCC)CC1 1359209990 GLULDGMNDVGEIY-UHFFFAOYSA-N 476.603 2.440 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC(NC(C)C)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1359305965 RSHOPEKOFCFPNW-IZAXUBKRSA-N 475.638 2.318 30 10 JEEE C#CCn1ccc(CN(CCOC)C(=O)Cc2ccc(S(=O)(=O)CC(F)(F)F)cc2)n1 1448853503 BKIQDDNJWCJWAB-UHFFFAOYSA-N 457.474 2.070 30 10 JEEE C#CCn1cc(CNC(=O)CSc2nc3ccccc3nc2N2C[C@H](C)O[C@H](C)C2)cn1 1467725978 YLPFXKTXWLJIMW-CALCHBBNSA-N 450.568 2.482 30 10 JEEE CCn1nc(-c2nnc(N3CCC(CC#N)CC3)n2CCS(=O)(=O)CC)c2ccccc2c1=O 1502364090 AQAHMDNBOSYJTC-UHFFFAOYSA-N 483.598 2.240 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1CCC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1507629244 LPPZJAJNBJOWSY-LJQANCHMSA-N 458.584 2.397 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1(CS(C)(=O)=O)CC1 1507658983 SYEPQNMEPIMJND-UHFFFAOYSA-N 488.013 2.149 30 10 JEEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CCO[C@@H](Cn2cccn2)C1 1507756747 QSFGFSXBGNFYCQ-HXUWFJFHSA-N 452.584 2.346 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Br)cc2)n1Cc1nnn(C)n1 1507770003 OPXIVFABNTWEKC-LJQANCHMSA-N 457.336 2.184 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)NCC1CC1 1507773945 YVJPOIKIJGKZJS-HOYKHHGWSA-N 472.590 2.105 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c(-c2cnccn2)nnc1N1CC[C@@]2(CNC(=O)C2)C1)C(C)C 1508015039 ZWYBZBWLKITWMW-HYBUGGRVSA-N 450.591 2.150 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@]1(C)COCCO1 1508042002 QRWPGTUZPYPXMX-IEGUWTFLSA-N 465.595 2.493 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](C(C)C)C1 1508090833 KDYOQKHDDPYVRI-QZTJIDSGSA-N 462.595 2.371 30 10 JEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CN2CCCCCC2)CC1 1539094152 LYANTIQQTUAEAI-IBGZPJMESA-N 450.653 2.394 30 10 JEEE C#CCN(c1nnc(COCC)n1CC[C@H]1CCN(C(=O)OC(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1 1539231703 VNDRWWFYSDFABZ-MOPGFXCFSA-N 495.646 2.088 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OC(F)(F)F)cc1 1539296285 NYWQQXNDGISLDU-HNNXBMFYSA-N 469.489 2.298 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@]1(C)COCCO1 1539300511 BZISRQSACIMPRL-XMMPIXPASA-N 454.527 2.239 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccc(NC(C)=O)nc1 1539350396 KGVOMTKZGMCADU-UHFFFAOYSA-N 452.540 2.210 30 10 JEEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN1CCCC(C)(C)C1 1539409157 QDVPVCJELBYWTC-UHFFFAOYSA-N 487.674 2.446 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1539622863 YHFATFQNCCXKEQ-WEYGHZABSA-N 487.626 2.387 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](N2CCCC2)C1 1540903395 CRNURPFBYZWAKK-LJQANCHMSA-N 464.661 2.299 30 10 JEEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1540919591 DHPFEWOTWAYODG-IBGZPJMESA-N 479.676 2.063 30 10 JEEE CCCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCCN(c2ccccc2C#N)CC1 1547259168 DEUPJVXDQQHRJV-UHFFFAOYSA-N 475.601 2.254 30 10 JEEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(N(C)C)CCCC2)C1 1547780020 HOIVEMYPYAQRKX-FQEVSTJZSA-N 471.631 2.209 30 10 JEEE CN(C)[C@]1(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC(CC#N)CC2)CCSC1 1552794914 FYDIXXWXKZXHMB-QFIPXVFZSA-N 454.604 2.493 30 10 JEEE CS(=O)(=O)c1cccc(-c2nnc(N(CCC#N)CC3CC3)n2CC2(S(C)(=O)=O)CC2)c1 1555792232 ADBLENAPDJBTRQ-UHFFFAOYSA-N 477.612 2.056 30 10 JEEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1CC1(C(N)=O)CCCC1)[C@H]1CCS(=O)(=O)C1 1588069569 QPJMUPHXNGGXEY-FQEVSTJZSA-N 499.637 2.146 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCN(C2CC2)C1 1588646416 JTGUSZBMICBEGO-CTNGQTDRSA-N 488.633 2.157 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1coc(-c2ccc(C)cc2)n1 1588646749 MGZVDXVZWOZHJM-LJQANCHMSA-N 469.567 2.278 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC1 1588848498 IDAXUNIPCGTUQB-HXUWFJFHSA-N 480.510 2.026 30 10 JEEE C#CCN1CCN(c2nnc(CSc3ccc(C)cc3)n2CCS(=O)(=O)CC=C)CC1 1588876758 HVJJQPYZLZUSQN-UHFFFAOYSA-N 459.641 2.235 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(C)cc1O[C@@H]1CCOC1 1589149952 BIKXXORCRAAIQL-DRMXPCRNSA-N 487.626 2.405 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](C2CCOCC2)C1 1589493492 HOSSESSIYMHOEU-MDNKFWRPSA-N 467.636 2.122 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1593741560 SADRXXWQEPXRCH-QFIPXVFZSA-N 463.586 2.406 30 10 JEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](OCCC)CC1 1594733253 POQVLVXQPUBDNL-OALUTQOASA-N 455.625 2.363 30 10 JEEE C=CCN(c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(C(=O)NCC(N)=O)cc1)C1CC1 1595037966 NARBWNALHSNLOH-UHFFFAOYSA-N 465.945 2.412 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1595593332 AOWCVIAFFIIUKE-INIZCTEOSA-N 482.507 2.241 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@@H]1CCOC1 1595798560 QMAPFONEOBUMGZ-ZWKOTPCHSA-N 483.635 2.219 30 10 JEEE C[C@H](CC#N)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCNC(=O)C(C)(C)C 1611302043 DNZFPXLXBWELMX-OAHLLOKOSA-N 460.608 2.139 30 10 JEEE CCN1CCN([C@H](C)Cn2c(CC(C)(C)C)nnc2N2CCN(c3cc(C#N)ccn3)CC2)CC1 1615842850 IBGKSAPFXXSZIV-OAQYLSRUSA-N 479.677 2.486 30 10 JEEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H](c2c(F)cccc2F)N(C)C)CCOC1 1616260585 DKWJOZRGQISCNW-BVZALQNUSA-N 476.528 2.240 30 10 JEEE CNS(=O)(=O)c1cccc(Cn2c(Cc3cccnc3)nnc2N2CCC[C@@](C)(C#N)C2)c1 1618838813 HNXJOIFANWFIEV-QHCPKHFHSA-N 465.583 2.350 30 10 JEEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@H](C)N2CCCCC2)CC1=O 1619938926 HREVAURXYUQPIB-FQEVSTJZSA-N 465.602 2.376 30 10 JEEE CS(=O)(=O)c1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCC[C@@H]2CCCCO2)c1 1620150226 HVKZBBQOXVCEEI-RBUKOAKNSA-N 459.572 2.427 30 10 JEEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc3cc(Br)ccc3c2)CC1 1623205205 WKVIYSGPNIIZJX-UHFFFAOYSA-N 451.346 2.219 30 10 JEEE COC(=O)C1(C#N)CCN(C(=O)C2(NS(=O)(=O)c3cccc(F)c3)CCCCC2)CC1 1627412315 HAYCCWCXQMNUNX-UHFFFAOYSA-N 451.520 2.112 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CC(=O)N(C)[C@@H]2c2ccc(F)c(F)c2)s1 1638530981 UXJVYVGMNIDLNX-OXJNMPFZSA-N 469.535 2.121 30 10 JEEE C=C1CCC(CNC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C/c2ccccc2)CC1 1644303099 ZWEHRLLBIBBKIA-IZLCOFNUSA-N 454.614 2.243 30 10 JEEE CCN(CC)S(=O)(=O)c1ccc(CNC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1 1675874421 GZBCTLCZAKKRJS-LJQANCHMSA-N 457.556 2.347 30 10 JEEE C#C[C@H](NC(=O)NC1CCN(S(=O)(=O)C2CCOCC2)CC1)c1ccc(Cl)cc1F 1677811959 BXBFTFHNVGXQBV-IBGZPJMESA-N 457.955 2.426 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccnc(OCC(F)(F)F)c1 1689851560 SIYPEXJXGAKKCE-HIFRSBDPSA-N 457.478 2.023 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1[C@@H]1C[C@H]1CCC)[C@@H]1CCS(=O)(=O)C1 1689982606 QNRWJBFSEUHRBF-YXTQBTIXSA-N 450.605 2.307 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@](C)(O)[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1689992384 KHJVMUQOKXDPKV-LLBVYWAGSA-N 462.591 2.432 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@]1(O)CCO[C@@H]1C 1690046042 VWGRMQDMGGYVFQ-FHAGJXEFSA-N 471.602 2.395 30 10 JEEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2CCC(=O)N2CCCCC2)CC1 1690130152 ARTOCWMFCISNNI-UHFFFAOYSA-N 450.587 2.057 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2c(Cl)cccc2OC)CC1 1690134683 BFEPJXYKKLLVMJ-UHFFFAOYSA-N 472.977 2.092 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCOc2ccccc2)CC1 1690375608 OZARHKGRKGIPHQ-HXUWFJFHSA-N 461.588 2.237 30 10 JEEE C=CCN(c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CCO[C@@H]1C)C1CC1 1690545021 HXCPWSGJPHSHBB-WLENULPWSA-N 463.579 2.281 30 10 JEEE CCN1CCN(CCCn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@H](COC(C)C)C2)CC1 1695897949 CAKSMKSCSYXQSP-DEOSSOPVSA-N 481.645 2.475 30 10 JEEE CN(C)C(=O)[C@H]1CCCN1CCCn1c(-c2cccn2C)nnc1N1CCC[C@](C)(C#N)C1 1696577791 BLOZNFFCLDASQH-HYBUGGRVSA-N 452.607 2.356 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](CC)N1CCc2ccccc2C1 1705477101 JGIVKECPBDNGGW-BBTUJRGHSA-N 458.632 2.183 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@@]1(N(C)C)CCSC1)[C@@H]1CCS(=O)(=O)C1 1705562963 NQMQRWKLQCKIQY-UTKZUKDTSA-N 495.074 2.058 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1CC(C)(C)C(=O)NC)[C@H]1CCS(=O)(=O)C1 1705563221 STBBTKSMDZDNOL-HNNXBMFYSA-N 481.981 2.137 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCCN(C(C)C)C1 1705580793 QPPUDWIENOIMDK-HXUWFJFHSA-N 457.582 2.385 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CSCCS1 1705623477 SWRMHWYVFGAGAI-SFHVURJKSA-N 495.696 2.130 30 10 JEEE C#CCN1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2Cc2cc(C)nn2C)CC1 1705639462 OXBRHPQWGPJLBD-UHFFFAOYSA-N 482.633 2.238 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCc2nc(C(C)(C)C)cs2)CC1 1705644025 FRKRHPPDOWRPNM-UHFFFAOYSA-N 485.658 2.379 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1705650758 YXYLPJKMKUIBQB-FQEVSTJZSA-N 480.588 2.232 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1705700863 ZJOFWDPJTLAWCT-OTWHNJEPSA-N 495.646 2.219 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1705795519 LXCSIJPLKDRZEK-ACRUOGEOSA-N 474.650 2.347 30 10 JEEE C=CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1705801607 LCPZQIZORDOSQF-KRWDZBQOSA-N 452.602 2.328 30 10 JEEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 1705829056 GAENIBYJXNRQHT-RBUKOAKNSA-N 471.537 2.361 30 10 JEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(Oc2ccc(F)cc2F)CC1 1705890711 DJBVBQNRAISKQP-LJQANCHMSA-N 483.541 2.123 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCN(c2nc(CC)ns2)CC1 1705907016 XPDXMKKRDNQSDT-UHFFFAOYSA-N 482.614 2.208 30 10 JEEE C=CCNC(=O)Cn1c(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1705908645 GDXIXNCZZHZARZ-MHECFPHRSA-N 492.621 2.067 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCN2CCOCC2(C)C)C1 1705916781 NKIVFIUGXDYPNO-GBXCKJPGSA-N 463.623 2.211 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1705930240 JHXHAWJRTKMGJT-MRXNPFEDSA-N 463.564 2.022 30 10 JEEE CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ccccc2C#N)CC1 1710876476 ACJYPXOVLXTRCX-FQEVSTJZSA-N 458.588 2.153 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@H](C)Oc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1722362027 RFTDDDSJSRNJBB-ICSRJNTNSA-N 468.583 2.081 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1ccc(COCC)cc1)[C@@H]1CCS(=O)(=O)C1 1722363738 BNRKXNQAZFPAED-HSZRJFAPSA-N 479.606 2.475 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCCN1CCCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1722372273 SQXJTRYHOIVVGJ-UNMCSNQZSA-N 487.674 2.031 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1SCCc2ccccc21 1722389385 GFNYOQBITVFIIE-YLJYHZDGSA-N 457.625 2.382 30 10 JEEE C=C(Br)Cn1c(Cc2ccsc2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1722486682 AYECHTFHFMYTKW-AWEZNQCLSA-N 477.392 2.371 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2)nnc1N1CCC(OCC(N)=O)CC1 1722497263 UASVMCBMCMDARH-GCJKJVERSA-N 455.559 2.406 30 10 JEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F 1722527649 QAUNWECWAXQSJU-UHFFFAOYSA-N 455.485 2.496 30 10 JEEE C=CCN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@]1(O)CCS(=O)(=O)C1)C1CC1 1722654539 ZFYFHXRHTJDYKH-JTSKRJEESA-N 481.619 2.055 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](N2CCCCC2)C1 1722693170 FQBPASWAZODALR-INIZCTEOSA-N 462.396 2.403 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1722723952 JPXVMTQHXGQXGE-JCGIZDLHSA-N 480.518 2.272 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1722724787 GAMSEUAWYPIXLI-HXUWFJFHSA-N 466.696 2.387 30 10 JEEE CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2nnc(C)s2)CC1 1727101135 BMXHFFPXNULGRO-KRWDZBQOSA-N 493.641 2.256 30 10 JEEE N#C[C@@H]1CN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@H]2CCCN2CCCO)CCO1 1731185656 AZBDHTIBNGASFG-IEBWSBKVSA-N 462.501 2.122 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2C[C@H]2CC[C@]3(CCOC3)O2)c1 1740565131 KECHGZXCLMFVTH-HYBUGGRVSA-N 453.543 2.209 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCN(C)C(C)C 1740640916 ZDFNLGSAGBCREG-HXUWFJFHSA-N 458.607 2.390 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC(=O)NC2CCCCC2)CC1 1740700702 ZMELVOSFZWAOES-IFMALSPDSA-N 456.635 2.401 30 10 JEEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCCN(C(=O)C(C)C)CC1 1740711490 NVHCEJKNKFDUIC-UHFFFAOYSA-N 489.667 2.410 30 10 JEEE C#CCSCCn1c(-c2ccccc2F)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1740714551 BUZNUTFOOVZGOF-UHFFFAOYSA-N 465.558 2.271 30 10 JEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C(C)=O)cc2F)CC1 1740716327 PXOSLXZZAAEOHK-LJQANCHMSA-N 470.574 2.264 30 10 JEEE C=C(C)COCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(CC(F)F)CC1 1740795047 MQPUJCZCFVOYPB-UHFFFAOYSA-N 476.576 2.432 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@@H](CNC(=O)CCC)C1 1740954949 JTBIFGOIIWKFDC-SFHVURJKSA-N 482.585 2.151 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCOCC2(CC2)C1 1740968135 CLNNFXJBXDIGOX-KRWDZBQOSA-N 461.588 2.118 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2CCN(C(=O)OC)CC2)C1 1740983780 PMSLHQDOCWXVDV-FQEVSTJZSA-N 457.579 2.399 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H]1CC(=O)N(CCOC)C1 1748668353 JKPNXTGFANCAIW-OALUTQOASA-N 488.633 2.345 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H](C)Oc1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 1748818463 ZWVVLXPKRWEFHP-ZCNNSNEGSA-N 458.584 2.185 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1CC(=O)N(C)C1CCCCC1 1748842646 QIOPRRYZBRALFR-UHFFFAOYSA-N 457.538 2.458 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CC12CCOCC2 1748964615 KTZIXYSEOBNBBS-PMACEKPBSA-N 489.617 2.489 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCC2(O)CCC2)CC1 1748999853 HVFXEUXTFCKFMP-IBGZPJMESA-N 458.607 2.410 30 10 JEEE C#CCSCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCS(=O)(=O)CC1 1749024692 YPPFGCJJIBOOEI-UHFFFAOYSA-N 485.429 2.317 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)CC)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1749118691 IOCZEYAYGMGJJB-UFYCRDLUSA-N 458.607 2.044 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](C)N1CCN(CC)CC1 1749538829 NEZBCZKVMKZKEU-IFMALSPDSA-N 451.619 2.448 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CC[C@H](CN2CCOCC2)C1 1749653113 WGEKGMLJHIZHEY-IRLDBZIGSA-N 452.603 2.281 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1749680760 QNZJQUIAJYRQRG-OAHLLOKOSA-N 470.471 2.371 30 10 JEEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@H]([C@H]3CCOC3)C2)cc1 1749683457 UFPHASQVZHYQFG-SXLOBPIMSA-N 475.615 2.364 30 10 JEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1749755375 GIHSCVXJBDNNSV-MSOLQXFVSA-N 450.634 2.446 30 10 JEEE CC[C@H](C)[C@](C)(O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCO[C@H](C#N)C1 1752555514 ACFDOFRPQOOXIQ-OBWXTZQISA-N 465.558 2.201 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CCNC(=O)c1ccc(C)cc1 1760121985 GAGCYJUVRKVFEI-QGZVFWFLSA-N 450.568 2.466 30 10 JEEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1cccnc1N1CCOCC1 1760160470 FGKMLHRIGSOLEB-UHFFFAOYSA-N 479.972 2.211 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H](C)N1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1760185212 SCPPTEYBOXFKTG-VQTJNVASSA-N 456.616 2.087 30 10 JEEE C#CCN(c1nnc([C@H]2COc3ccccc3O2)n1CCC(C)(F)F)[C@H]1CCS(=O)(=O)C1 1760186063 JSXRSDBUJOPTMP-MAUKXSAKSA-N 466.510 2.463 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1CCc1ccc(Cl)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1760187932 MBYXTDRVWYABOH-ROUUACIJSA-N 479.002 2.313 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCO[C@H]1C(C)C 1760337391 PNLPTZPUZYDTKV-QYZOEREBSA-N 455.625 2.075 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCCN(C(C)=O)CC1)C(C)C 1760490155 QTWPUQGNONLULV-QFIPXVFZSA-N 454.623 2.436 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1760515445 NVTOFYAPMFMZGW-RBUKOAKNSA-N 451.531 2.392 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1760554150 SVRNOEJWLZRHGX-GOSISDBHSA-N 471.587 2.400 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCC([C@@H]2CCCO2)CC1 1760557873 YKXIZBXPDQYHIG-FQEVSTJZSA-N 462.620 2.136 30 10 JEEE C=CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1760569481 PSTPZFQIMHYEBX-FQEVSTJZSA-N 481.669 2.204 30 10 JEEE C[C@@H](CN1CCCC1)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1761427166 CNZGKOYSPIMXGE-IBGZPJMESA-N 485.658 2.409 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@H](C)OC 1764182963 HGQHRFUBHIHSRP-SFHVURJKSA-N 453.591 2.425 30 10 JEEE CCS(=O)(=O)NCCn1c(C2CCCC2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1766728169 HCYQCZRUIMQTCH-UHFFFAOYSA-N 485.658 2.459 30 10 JEEE CS(=O)(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)c2cccs2)CC1 1770315816 CSSMDOPVOZPIPB-UHFFFAOYSA-N 484.607 2.322 30 10 JEEE C=CCN(CC=C)C(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1ccc(C(C)(C)C)cc1 1865729391 NNAGZJNDSKZYLB-SFHVURJKSA-N 464.566 2.277 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCCCO)cn1CCCCN(CC)CC 1870358436 BIGSIZDBYRKJQC-UHFFFAOYSA-N 462.635 2.022 30 10 JEEE C=CCn1cc(OCC(=O)N2CCCCCC2)c(=O)cc1CNc1ccc(S(N)(=O)=O)cc1 1870930430 UOHSWYCDYYGUOM-UHFFFAOYSA-N 474.583 2.075 30 10 JEEE C=CCn1cc(OCC(=O)OCCC(C)C)c(=O)cc1CNc1ccc(S(N)(=O)=O)cc1 1871029403 XLTBPAIFDHKBDP-UHFFFAOYSA-N 463.556 2.262 30 10 JEEE N#Cc1c(NC(=O)COc2nonc2C(=O)N2CCN(Cc3ccccc3)CC2)sc2c1CCC2 1872678835 NLWOSFAKLSBPDB-UHFFFAOYSA-N 492.561 2.467 30 10 JEEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](NC(=O)OC(C)(C)C)CC[C@@H]1C(=O)O 2068508728 DUZXMMMMINUSGZ-ARFHVFGLSA-N 453.536 2.262 30 10 JEEE C=C(CS(=O)(=O)N1CCCO[C@H](CNC(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2255801804 QLCFVUJNSJMVHZ-MRXNPFEDSA-N 460.402 2.119 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@]1(CO)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2256616393 BFPMRPHAXMFMGF-FQEVSTJZSA-N 453.370 2.143 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CCO)C(=O)Nc1nc(B2OC(C)(C)C(C)(C)O2)ccc1Cl 2256678169 BEQXJTOKYZKSDH-CYBMUJFWSA-N 455.748 2.248 30 10 JEEE CC(C)(C)OC(=O)N1CCCO[C@H](CNC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)C1 2267165327 DAALLVDJCPGAGR-CQSZACIVSA-N 467.397 2.198 30 10 JEEE COC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2267705773 LVIJRCAGVWMLBG-UHFFFAOYSA-N 463.336 2.489 30 10 JEEE CO[C@@H]1C[C@@H](C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)N(C(=O)OC(C)(C)C)C1 2268649422 JHFYFLZECITPER-HIFRSBDPSA-N 467.397 2.083 30 10 JEEE CN(Cc1csc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)[C@]1(NC(=O)OC(C)(C)C)C[C@@H](O)C1 2268704774 AVQIBZSSNYSGHL-FVUUGDKNSA-N 466.409 2.424 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](CNC(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)C[C@H]1O 2281935020 URDSWKDGNPYWCP-KFKAGJAMSA-N 460.380 2.380 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1COCCN(C(=O)OC(C)(C)C)C1 2281963190 IXKIUWQUNBHTNT-OAHLLOKOSA-N 481.424 2.364 30 10 JEEE C[C@H](NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Cl)C1(O)CN(C(=O)OC(C)(C)C)C1 2282004455 JPFVGRLUVIFSQC-ZDUSSCGKSA-N 481.786 2.134 30 10 JEEE C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)CCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2282052723 CAZOTKDAKJJWBM-HOTGVXAUSA-N 462.400 2.485 30 10 JEEE CC(C)(C)OC(=O)NC1(CO)CCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CC1 2282096396 PVEPDPMWVIKLIO-UHFFFAOYSA-N 460.380 2.478 30 10 JEEE CC(C)(C)OC(=O)N1[C@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C[C@@H]2OCC[C@H]21 2282194019 ULNXPYLKQVDSBM-JQHSSLGASA-N 461.368 2.211 30 10 JEEE C[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2282345907 RYNBIYLHJYXMSU-CJNGLKHVSA-N 476.326 2.206 30 10 JEEE CC[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2282574448 OZYNOTKAKROSQW-DOTOQJQBSA-N 462.400 2.485 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCN(CC(=O)NCc2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2283975405 YKBBHYCJOWGWPJ-GOSISDBHSA-N 459.396 2.201 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F)[C@@H]1CCOC1 2284049011 QYMQAQBGHOYEJF-CZUORRHYSA-N 465.331 2.388 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2CCO[C@]2(C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)C1 2284069236 NVSRQWLSBJYGGR-IQMFZBJNSA-N 459.352 2.345 30 10 JEEE COC[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)N(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)C1 2289508024 UXEFFNXLQCRISW-GJZGRUSLSA-N 481.424 2.444 30 10 JEEE CC(C)(C)OC(=O)NCC(C)(C)OCCNC(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2295848317 WBSAHJILWYNDOS-UHFFFAOYSA-N 463.384 2.431 30 10 JEEE Cn1cc(C(=O)N2CC(F)(F)C[C@@H]2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2296425075 ODHIVQCXLZEKDY-CYBMUJFWSA-N 470.326 2.094 30 10 JEEE C=CCN1C(=O)C(=Cc2ccc(OC)c(CN3C(=O)c4ccccc4C3=O)c2)C(=O)NC1=S 2296925553 MXFRNFOGDDGKHB-UHFFFAOYSA-N 461.499 2.304 30 10 JEEE Cc1nc(C)c(C(O)=C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccc([N+](=O)[O-])c2)s1 2297056440 DFSFLWGJCXCAOL-GOSISDBHSA-N 472.523 2.422 30 10 JEEE COc1cccc([C@H]2C(=C(O)c3c(C)nc4ccccn34)C(=O)C(=O)N2CCN2CCOCC2)c1 2297741069 TVRRBOZUBSPVQZ-QHCPKHFHSA-N 476.533 2.405 30 10 JEEE CC(C)(C)OC(=O)NCc1nnc(NC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)o1 2315641483 VQZCFOJAAOZFCH-UHFFFAOYSA-N 451.314 2.102 30 10 JEEE CCN(CC)CC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C 2333138584 ILZSJEITWDWIRX-GWSOHCFRSA-N 473.610 2.450 30 10 JEEE COc1ccc(C(=O)NC[C@@H](CNC(=O)OC(C)(C)C)OC)cc1B1OC(C)(C)C(C)(C)O1 2365425213 WPNUKFOIJWKRIO-INIZCTEOSA-N 464.368 2.264 30 10 JEEE COc1ccc(/C(C)=N/Nc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2N)cc1 21328312 WIERAJSJBHGARU-WSDLNYQXSA-N 456.488 2.476 30 10 JEEE COc1ccc(-c2ncc(C#N)c(=O)n2CC(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 33298360 BOLJZYIGLFBXPJ-UHFFFAOYSA-N 459.506 2.148 30 10 JEEE C=CCN1C(=O)N[C@@H](c2ccc(OC)cc2)C(C(=O)OCC)=C1CN1CCN(C(=O)CC)CC1 36026063 PLVGAUBSMMMARN-QHCPKHFHSA-N 470.570 2.319 30 10 JEEE CCOC(=O)C1CCN(c2nc3c(c(=O)[nH]2)[C@H](c2cccc(Cl)c2)[C@@H](C#N)C(=O)N3)CC1 72444676 GCLJGQVFTPOWND-HZPDHXFCSA-N 455.902 2.427 30 10 JEEE C=CCNC(=O)CN1CCN(C(=O)c2cc(-c3cccnc3)nc3c2cnn3Cc2ccco2)CC1 552849307 JWCMHMAPIMPRTL-UHFFFAOYSA-N 485.548 2.195 30 10 JEEE C#CCN(CC(=O)O)C(=O)[C@@H]1CO[C@H](CNC(=O)OCC2c3ccccc3-c3ccccc32)C1 757489537 HZIOHLIAOSLCGD-ROUUACIJSA-N 462.502 2.477 30 10 JEEE COc1ccc(CCNC(=O)CSc2n[nH]c(NN=Cc3c(C)nn(C)c3C)n2)cc1OC 1084523292 LAEULIBBWFOQPK-UHFFFAOYSA-N 472.575 2.069 30 10 JEEE COc1ccccc1CNC(=O)CSc1nnc(NN=Cc2c(C)nn(C(C)C)c2C)n1N 1084597826 BAVRBAYAZQIEKU-UHFFFAOYSA-N 471.591 2.249 30 10 JEEE C#CCN(C(=O)c1c[nH]c2c(Cl)cc(Br)cc2c1=O)[C@H]1CCS(=O)(=O)C1 1142047185 ZYAGWNVRCFBXLQ-NSHDSACASA-N 457.733 2.207 30 10 JEEE C#C[C@@H](NC(=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)c1)C1CCOCC1 1167414307 YBRGHVDSBYJQEU-HXUWFJFHSA-N 456.520 2.417 30 10 JEEE CC(=O)N1Cc2ccc(NC(=O)C3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)cc2C1 1265668941 ADKOOPJTYQHWDB-UHFFFAOYSA-N 452.536 2.460 30 10 JEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(=O)Nc2ccc(F)cc2)CC1 1286342441 QLQZSWLRHKZRIY-INIZCTEOSA-N 491.593 2.231 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H](C)N(C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1286398348 JGFUAJZGBFMNKG-CEWLAPEOSA-N 457.600 2.281 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2Cc2ccc(C(N)=O)nc2)CC1 1286471238 HUXKIDFFYLQAKF-KRWDZBQOSA-N 479.972 2.369 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC2(N(C)C)CCOCC2)CC1 1286471584 MCZUMZQGTZAONN-HXUWFJFHSA-N 470.593 2.423 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCCn2cccn2)CC1 1286480378 MVHLXDCDPUYKHM-NRFANRHFSA-N 482.633 2.435 30 10 JEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 1286493791 GPMRMHRLZGNCJB-INIZCTEOSA-N 450.609 2.134 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1286546597 KCCSFPHOGLAOGP-DLBZAZTESA-N 488.618 2.104 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C(=O)NC)CC1 1286552284 PKFRIMVJKFOWIO-WIYYLYMNSA-N 470.574 2.405 30 10 JEEE C=C(C)COCCn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1286609356 JLRTZGATHKEZLE-UHFFFAOYSA-N 472.565 2.175 30 10 JEEE C=CCCCCn1c(CSc2ccccc2OC)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1286691533 JQJBOGQPYKEWBT-QGZVFWFLSA-N 470.599 2.082 30 10 JEEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 1286713774 FUGQSULMXDXLTP-HXUWFJFHSA-N 472.634 2.468 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC(F)(F)CC1 1286781356 QYDAWVYTVHMXCE-UHFFFAOYSA-N 452.893 2.399 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CC[C@@H](N(C)Cc2ccccc2)C1 1286819933 ABBPMMXYCJGTQT-FCHUYYIVSA-N 473.643 2.484 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CCC2(CCN(C)C2=O)CC1 1286824501 ZUVYMFSNYVCHJV-UHFFFAOYSA-N 491.589 2.046 30 10 JEEE CC(C)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1287138443 GOSZKJUSLYRWNN-UHFFFAOYSA-N 479.629 2.480 30 10 JEEE CCc1cnc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(OCC(N)=O)CC2)s1 1292663762 IBIUZBFBQQZIGB-UHFFFAOYSA-N 481.582 2.267 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CCN(C)[C@H](C)CC)c1 1300332269 BCCDOLHNZSRXTA-XLIONFOSSA-N 451.575 2.016 30 10 JEEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@H](C)Sc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1300502772 XCKGOEKSRRVNLZ-RBUKOAKNSA-N 487.651 2.208 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@](C)(O)c1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 1300503245 BWFZYIKGBVHPSM-KNKQGSTJSA-N 479.002 2.317 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@](O)(c1ccccc1)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1300506591 VVJYQRDGTKTXIM-OPYAIIAOSA-N 498.527 2.206 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCN1CCSCC1 1300527154 CNNOGGYOTYLQPI-UHFFFAOYSA-N 475.622 2.358 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(Oc2ccccc2)nc1 1300537180 AUYBOPXSGDLCCR-FQEVSTJZSA-N 461.547 2.489 30 10 JEEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2Cc2cccc(C(=O)NCC)c2)CC1 1300703732 RBHFTVRYHPMZMV-UHFFFAOYSA-N 463.611 2.187 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCc2cn[nH]c2)CC1 1300731005 KEXPXXVKUKOYSF-UHFFFAOYSA-N 461.570 2.406 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CSc3ccccc3OC)n2C[C@H](C)N(C)C)CC1 1300732895 QSIOREKUPZFKAR-SFHVURJKSA-N 470.643 2.495 30 10 JEEE C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C(=O)NCCCN2CCCC2)CC1 1300927445 CGYMNDULWPBDMY-UHFFFAOYSA-N 480.617 2.320 30 10 JEEE C=C(Cl)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1301018589 GYRCQOGWXLIOOK-HXUWFJFHSA-N 487.004 2.080 30 10 JEEE C=CC1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccccc2S(=O)(=O)N(C)C)CC1 1301118664 FBIVYKJONYUFQJ-UHFFFAOYSA-N 455.588 2.380 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCCCO2)n1CCS(=O)(=O)N(C)C 1301339613 QZUDFLVTFDPDAZ-FQEVSTJZSA-N 458.588 2.475 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CC[C@@]2(CCOC2)C1 1301593469 OCNKOMUHJISIDK-OAQYLSRUSA-N 450.536 2.214 30 10 JEEE C=CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(N(C)C(C)=O)CC1 1301601080 ADUGRFHYGPODAC-UHFFFAOYSA-N 467.603 2.287 30 10 JEEE CCC[C@](C)(O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccccc2C#N)CC1 1306521194 GOFLIOBOPVSCHQ-DEOSSOPVSA-N 451.575 2.263 30 10 JEEE Cn1c(=O)n(C)c2cc(S(=O)(=O)NCc3cc(C#N)ccc3F)c(Br)cc21 1309232750 DVACZEWBKNDQHN-UHFFFAOYSA-N 453.293 2.129 30 10 JEEE CN(C)C(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC(F)(F)C2)CC1 1314642395 GXNYNGKYLDAHAH-SFHVURJKSA-N 457.529 2.462 30 10 JEEE COC(=O)Nc1cccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)c1 1315128447 AHOXBQVNRJQRLE-QGZVFWFLSA-N 458.544 2.147 30 10 JEEE C#CCCCn1c(-c2ccccc2Br)nnc1N1CCN(CC(=O)NCCOC)CC1 1358925950 WXAKANAJILEYPW-UHFFFAOYSA-N 489.418 2.006 30 10 JEEE C#CCN(c1nnc(-c2ccccc2)n1CCCNC(=O)c1occc1C)[C@@H]1CCS(=O)(=O)C1 1358959729 OSEZTECHCFYAKJ-HXUWFJFHSA-N 481.578 2.293 30 10 JEEE C#CCN(c1nnc(-c2ccccc2F)n1CCn1cc(Cl)cn1)[C@@H]1CCS(=O)(=O)C1 1358960227 ZXAVNHFWHGDTDD-MRXNPFEDSA-N 462.938 2.261 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H]2CCCN2CC)CC1 1359029120 OXQOLICBOVJZDG-OAQYLSRUSA-N 470.021 2.101 30 10 JEEE C#CCN1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2C[C@H](OC)[C@H](C)CC)CC1 1359034477 RWJXBAHQGILJDW-NQIIRXRSSA-N 463.586 2.008 30 10 JEEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CC(F)(F)CNC(=O)OC(C)(C)C)CC1 1359037190 ZBAKZJNGBNLKOM-UHFFFAOYSA-N 475.544 2.179 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2cc(C)no2)CC1 1359040371 RJJBIAWBNGXTOP-HDICACEKSA-N 455.563 2.149 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@H]2CCC(=O)N2)CC1 1359040718 FCCIHIGXKDWXGQ-QFBILLFUSA-N 484.988 2.316 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC(C)(C)c2ccccn2)CC1 1359042286 ZSUQAWHVQRPASA-AREMUKBSSA-N 480.613 2.269 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@](C)(O)C2CCCCC2)CC1 1359048239 JQILFEUBORBISM-YBXDKENTSA-N 487.645 2.299 30 10 JEEE C#CCSCCn1c(-c2ccccc2F)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1359053074 AIGPUWAVVGLUJH-GOSISDBHSA-N 456.547 2.217 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C(=O)NCCCC)CC[C@@H]1C 1359056227 AVUSRVLPZUJIEP-IPMKNSEASA-N 481.688 2.068 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1359094424 AWMPVGPDBVZRCH-YKSBVNFPSA-N 498.628 2.154 30 10 JEEE C=C(C)COCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(C)C(=O)[C@H]1C 1359126523 RXXXGUXGUPKFMO-MRXNPFEDSA-N 460.966 2.121 30 10 JEEE C=C(C)COCCn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1359134297 RHIBVBWMMJLPBA-UHFFFAOYSA-N 468.602 2.344 30 10 JEEE C=C(Cn1c(Cc2cccnc2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1)c1ccccc1 1359139776 CZNGTDNIJVTDKA-OAQYLSRUSA-N 452.584 2.495 30 10 JEEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 1359214509 FONMMQMJONSYNJ-SOAGJPPSSA-N 457.623 2.012 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c(-c2cnccn2)nnc1N1CCN(C(C)=O)C[C@@H]1C)C(C)C 1359265658 JYKMYBBMYJFKCF-SIKLNZKXSA-N 452.607 2.491 30 10 JEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1359287497 GSEMQJOGQFSJEN-IRXDYDNUSA-N 469.608 2.176 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1359294269 PFVMHMTULLBCTH-AWEZNQCLSA-N 464.473 2.126 30 10 JEEE CC(=O)N1CCN([C@@H]2CN(c3nnc(COc4ccc(C#N)cc4)n3CC(F)(F)F)C[C@H]2C)CC1 1359398962 IGHKYJILKSMNIT-OXQOHEQNSA-N 491.518 2.280 30 10 JEEE C[C@H](CN(C)C(=O)OC(C)(C)C)Cn1c(Cc2ccncc2)nnc1N1CCO[C@@H](C#N)C1 1360514999 DBMCORHTLDWNPZ-MJGOQNOKSA-N 455.563 2.496 30 10 JEEE N#Cc1c(Cl)cccc1S(=O)(=O)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 1462743249 FJIRSNNNGLCAOT-UHFFFAOYSA-N 457.936 2.436 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC1=CCc2ccc(OC)cc21 1507536483 CIKKXAWBOHBGGY-HTAPYJJXSA-N 485.610 2.107 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CC1(NC(=O)OC(C)(C)C)COC1 1507544657 ZVDJNIJOGTTWDH-OAHLLOKOSA-N 474.587 2.021 30 10 JEEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1507579432 WMIXKBULACULPE-OAHLLOKOSA-N 483.436 2.225 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1CCc1ccc2c(c1)OCCO2)[C@H]1CCS(=O)(=O)C1 1507623669 VLAPKQBPVWLHKT-SFHVURJKSA-N 458.584 2.216 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CC(=O)N(C)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1507630416 YNROMQNWVIRPSP-JOCHJYFZSA-N 494.621 2.235 30 10 JEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1Cc1ccc(C)cc1N1CCOCC1 1507672923 JEJWNEQSUGAOIR-UHFFFAOYSA-N 460.582 2.057 30 10 JEEE C#CCN1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2Cc2cc(C)no2)CC1 1507732883 YQHRLSLVQGIBDA-UHFFFAOYSA-N 469.590 2.493 30 10 JEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cc(C)ccc2C)CC1 1507747143 VPLVVABUQJSYOG-IBGZPJMESA-N 476.672 2.198 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCCC[C@@H]1CC 1507820732 LKOZGBSNWUPBTN-PMACEKPBSA-N 468.668 2.278 30 10 JEEE C=C(C)Cn1c([C@H]2CCCOC2)nnc1N1C[C@@H](C(=O)OC)[C@H](CNC(=O)OC(C)(C)C)C1 1507832103 NIBBNEQPXAMIDI-RCCFBDPRSA-N 463.579 2.498 30 10 JEEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(c2ccnc(C)n2)CC1 1507840400 ZXRZGHYZTGNDGY-UHFFFAOYSA-N 497.625 2.366 30 10 JEEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@@H]21 1507844195 DSYUSDCQHHDPMQ-MUGJNUQGSA-N 467.636 2.219 30 10 JEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1507934587 GVKRCCGCUWCNNB-ZWKOTPCHSA-N 496.659 2.310 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCOC1 1508037917 FYBSLMSNNAOZBY-MSOLQXFVSA-N 451.568 2.262 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1508091538 VCYPBRXXHGRSRF-ZWKOTPCHSA-N 462.595 2.168 30 10 JEEE C=CCOc1ccccc1Cn1c(-c2cnccn2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1508102864 BNFFHAZMLAJTOZ-UHFFFAOYSA-N 483.598 2.208 30 10 JEEE C=CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1508162950 SPGBTFVUHYXFLC-GAJHUEQPSA-N 492.646 2.222 30 10 JEEE CC(C)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)N1CCOCC1 1508862701 GINJFQGRDQQEDI-IPJJNNNSSA-N 488.658 2.431 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CCCN1CCCC1 1509687569 DXKQAASQMOIDQF-UHFFFAOYSA-N 464.618 2.096 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@@](C)(O)c1cccs1 1510153927 FCLZRSCZTHHJMG-YCRPNKLZSA-N 474.612 2.366 30 10 JEEE Cc1cccc(O[C@H](C)c2nnc(N(C)C[C@H](C)C#N)n2C[C@]2(O)CCS(=O)(=O)C2)c1C 1510369511 BEQTYYCOOQDLLK-YBOAYWMSSA-N 461.588 2.180 30 10 JEEE CC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1)OC 1513452388 CAPWJVSRGNKYLY-FQEVSTJZSA-N 459.558 2.482 30 10 JEEE COc1cc(-c2nnc(N(C)[C@H](C)CC#N)n2CC(=O)N2CCOCC2)ccc1OC(C)C 1517957684 HVWQEYPKLDNKRL-QGZVFWFLSA-N 456.547 2.338 30 10 JEEE C#CCN(CC#N)C(=O)c1ccc(I)c(I)c1 1524272323 VTHILWUIAJQGNQ-UHFFFAOYSA-N 450.017 2.495 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OCC)CCOC3)n2C[C@@H]2CCCO2)c1 1539039752 HBJIZMONRRKRQE-RDPSFJRHSA-N 453.543 2.165 30 10 JEEE C#CCCCn1c(N(C)C2CCN(S(C)(=O)=O)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1539141894 ZLOLXXVEBHDAFT-HDICACEKSA-N 494.662 2.322 30 10 JEEE C#CCN(c1nnc(C2CCCC2)n1CC(=O)N(C)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 1539220515 KEEBJMSRCNBMQW-FQEVSTJZSA-N 461.632 2.354 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2nc(C(C)(C)C)cs2)CC1 1539466922 JKSIOACYKKSMRO-UHFFFAOYSA-N 497.669 2.477 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@@]2(O)CCOC2)CC1 1539468727 HVTVWSVQVBKGCE-FNZWTVRRSA-N 481.597 2.152 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCN(S(=O)(=O)CCOC(C)C)CC2)nnc1C(C)(C)C 1539643198 VBJARYVNXPPUTE-UXHICEINSA-N 483.679 2.434 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 1540900693 DRIQPSZAMOCGRI-UHFFFAOYSA-N 486.573 2.415 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc(Cc2ccc(Cl)cc2)n1CCS(=O)(=O)N1CCSCC1 1541117524 IEZAAHMEEXECDT-INIZCTEOSA-N 483.063 2.497 30 10 JEEE CC(C)NS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H]1[C@H]1CCCO1 1541710143 DELGTIZUUCKSDN-WOJBJXKFSA-N 458.588 2.292 30 10 JEEE CC(C)Oc1ccc(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCO[C@H](C#N)C2)cn1 1541735689 CIEKWZVREKNPOT-LJQANCHMSA-N 482.566 2.308 30 10 JEEE CN(C)C(=O)CCCn1c(Cc2ccccn2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1552697068 HTANSPLZULCEEW-UHFFFAOYSA-N 476.560 2.470 30 10 JEEE COc1cc(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)C[C@H](C)C#N)ccc1Cl 1554748311 FHVUMQKQONRKJQ-KGLIPLIRSA-N 454.984 2.389 30 10 JEEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCN(c4ccc(F)cc4C(N)=O)CC3)n[nH]2)c1C 1585548790 GBMFESSFMCVWIL-UHFFFAOYSA-N 451.506 2.276 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CC1(CC(C)C)CC1)[C@H]1CCS(=O)(=O)C1 1588029266 FJSSDINFXZDRGF-SFHVURJKSA-N 470.599 2.378 30 10 JEEE C#CCN(c1nnc(CSc2ccccc2OC)n1C[C@](C)(O)C1CC1)[C@H]1CCS(=O)(=O)C1 1588074967 UXYIBBSIZKLKFS-MBSDFSHPSA-N 490.651 2.367 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC2CCC(OC)CC2)CC1 1588891325 NQWMXTQLYWHXTJ-UXNJHFGPSA-N 487.645 2.490 30 10 JEEE C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](CC(C)C)C1 1589404069 GRPKFOFUKMENCA-JKSUJKDBSA-N 476.441 2.392 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CC(=O)NC(C)C 1589503897 FTFGMLZSEWZNSX-GHTZIAJQSA-N 475.615 2.291 30 10 JEEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1594449433 YNSAIZVQIQAKKW-UHFFFAOYSA-N 459.639 2.107 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCOCC1 1595133239 DNGJWWKDGVDABI-OAQYLSRUSA-N 493.605 2.369 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCOC2)n1CCN1CCN(C(C)=O)CC1 1595133803 MVSXQQJZLDIUCE-OAQYLSRUSA-N 456.566 2.278 30 10 JEEE C=CCN(CC=C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN1CCSCC1 1595204381 BNPGTNLGPYJNDH-UHFFFAOYSA-N 451.600 2.419 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCS(=O)(=O)c2ccccc2)C1 1595745650 UXUGGPNFIVGDSJ-HXUWFJFHSA-N 470.599 2.395 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 1595821172 AQPXYGYIGKJDPA-QGZVFWFLSA-N 490.552 2.288 30 10 JEEE C=CCSCCn1c(Cc2ccncc2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1595890115 JHZZXUFAZPOUNB-HXUWFJFHSA-N 469.659 2.316 30 10 JEEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](c2ccco2)N(C)C)CCO1 1619753904 GMSQVXGBIQSDAX-LEWJYISDSA-N 466.542 2.476 30 10 JEEE C=CCN(C(=O)CN1C(=O)c2ccccc2S1(=O)=O)[C@@H](Cc1ccccc1)C(=O)OCC 1638617542 GWWVSTSWGCLZPT-IBGZPJMESA-N 456.520 2.020 30 10 JEEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCN(CC)C(=O)C1 1689931876 KVIHOAUNLZMELC-SFHVURJKSA-N 460.579 2.059 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H](c1ccco1)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1689990772 ROONESDSYWYECO-AQNXPRMDSA-N 475.615 2.085 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1Cc1ncnn1C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1689992148 ICPDXNDSOWWFDJ-GOSISDBHSA-N 485.589 2.030 30 10 JEEE C#CCN(c1nnc(CCOc2ccccc2)n1Cc1ccc(N(C)C)nc1)[C@@H]1CCS(=O)(=O)C1 1689993630 IRXLMEKXTUUVPR-OAQYLSRUSA-N 494.621 2.036 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC1(C(N)=O)CCOCC1 1690002010 XBBPBQSPMNUVTH-QGZVFWFLSA-N 455.946 2.426 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCS(=O)(=O)CC1CC1 1690028014 HLRYCDYSUGCAGQ-IBGZPJMESA-N 475.615 2.248 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCN1CCSCC1 1690034740 QHLAISLMPJYJKR-UHFFFAOYSA-N 485.683 2.058 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(Br)c3)n2CCCN2CCOCC2)CC1 1690113510 LRRJXSKEVNJUIQ-UHFFFAOYSA-N 473.419 2.185 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(OCCC)nc2)CC1 1690132634 USMFYEFTSIYSKB-UHFFFAOYSA-N 479.610 2.257 30 10 JEEE C#CCSCCn1c(N2CCC[C@@H](C(=O)NC3CC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1690186808 UXXXXFZFKWJHTQ-JPYJTQIMSA-N 461.632 2.180 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CC[C@H](C(N)=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1690254180 YMZRGDCWXBMIRL-FKSLSLAPSA-N 474.606 2.342 30 10 JEEE C=C(C)COCCn1c(CCc2ccccc2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1690316488 GYQVDDVACLJDBA-VWLOTQADSA-N 466.586 2.471 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@@H](CN2CCOCC2)C1 1690660862 PSCKJZQJDWSLPX-OALUTQOASA-N 472.565 2.018 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1690717673 NAZOBBXGYZLAOI-QZTJIDSGSA-N 463.991 2.447 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1 1690725188 IGJHCZXYIRRYDR-UHFFFAOYSA-N 451.980 2.057 30 10 JEEE CCn1nc(-c2nnc(N(C)C[C@@H](C)C#N)n2C[C@](C)(O)CCOC)c2ccccc2c1=O 1695898631 BAGXFYJMEBYVOC-QMHKHESXSA-N 453.547 2.058 30 10 JEEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N(CCC#N)CC3CC3)n2C[C@@H]2CCCCS2)C1 1698312428 HAKGJUTUVNPQEJ-ZWKOTPCHSA-N 468.649 2.027 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)(C)C)n2Cc2ncnn2C(C)(C)C)n1 1705631174 VUGNWJRHPREZKR-UHFFFAOYSA-N 453.595 2.453 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCN(CC(F)(F)F)C1 1705709600 BQHBBKROERPRRP-GJZGRUSLSA-N 452.547 2.175 30 10 JEEE C=C(C)COCCn1c(-c2ccccc2OC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1705733669 WIVILPHFPGJAQV-GOSISDBHSA-N 454.531 2.019 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1CC[C@@H]1COCCO1 1705858225 SWVNZGCOVPNBQN-OAQYLSRUSA-N 450.543 2.384 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H](C)[C@H]1C 1705931398 OUTUHVJNVNXBGW-DLBZAZTESA-N 481.644 2.031 30 10 JEEE CCOc1ccccc1OCc1nnc(N2CC[C@@](F)(C#N)C2)n1CCN1CCOC[C@H]1C 1710564861 HPJXVBZIVFJFDW-WZONZLPQSA-N 458.538 2.418 30 10 JEEE N#Cc1ccc(OCc2nnc(N3CCO[C@H](C(F)(F)F)C3)n2C[C@@H]2CCCCS2(=O)=O)cc1 1712880390 HMPQOPOFRZJYHL-ROUUACIJSA-N 499.515 2.464 30 10 JEEE C#CCN(c1nnc(-c2ccccc2)n1CCNC(=O)[C@@H](C)CCC)[C@H]1CCS(=O)(=O)C1 1722361983 LMAUGBFWRGKVCX-ICSRJNTNSA-N 457.600 2.124 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@](C)(O)[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1722365629 NFCWFEHUQBHEAV-LTMIRXACSA-N 462.591 2.432 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@]1(N2CCOCC2)CCSC1 1722375632 REKUJNCPTVKQMW-VWLOTQADSA-N 481.622 2.243 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCNC(=O)OC(C)(C)C 1722380501 OANJYOVGOUGHCK-UHFFFAOYSA-N 475.553 2.180 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2Cc2cccc(N3CCOCC3)c2)CC1 1722441869 VXNXVMPOFGRNIE-UHFFFAOYSA-N 464.614 2.426 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CC2(SC)CCOCC2)CC1 1722448038 QDLLDMORQGVXHM-IBGZPJMESA-N 461.632 2.050 30 10 JEEE C=CCn1c(N2CCC(Oc3ccnc(C(N)=O)c3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1722691330 SAXRUNVYBRGTIH-HSZRJFAPSA-N 456.547 2.046 30 10 JEEE CCN(C[C@@H]1CCCO1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1728468786 FFVIFCGJQMTXGA-UXHICEINSA-N 458.588 2.246 30 10 JEEE CN(C)S(=O)(=O)c1ccccc1Cn1c([C@@H]2CCOC2)nnc1N1CCC(CC#N)CC1 1729342786 HYSOJHBEOQFESE-LJQANCHMSA-N 458.588 2.211 30 10 JEEE CO[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(c2ccccc2C#N)CC1)C(C)C 1729878087 BKJIPAVLRKANMS-PZJWPPBQSA-N 451.575 2.489 30 10 JEEE COCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1730767567 HFRTYDZLPYDGNH-BGYRXZFFSA-N 465.602 2.090 30 10 JEEE C#CCN(c1nnc(-c2noc3c2COCC3)n1CC[C@H](OCC)C(C)C)[C@H]1CCS(=O)(=O)C1 1740623489 VFIJILPYJIOMCO-HKUYNNGSSA-N 491.614 2.084 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCSc1ccc(C)cc1 1740671968 SSGDNAZJXWRCIG-LJQANCHMSA-N 463.629 2.171 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCc2ccc(OC)cc2)CC1 1740692397 JWOYGAXFDJWJCJ-RUZDIDTESA-N 453.587 2.325 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccc(F)c1F)C1CC1 1740911040 VTCAIIAEHARTKA-SFHVURJKSA-N 467.542 2.287 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)O[C@@H](c2ccsc2)C1 1740952183 WWSRZOWZLIDATL-DOTOQJQBSA-N 467.555 2.256 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC(C)(OC)C1 1740995766 WWORGRURIHMDIW-INIZCTEOSA-N 469.608 2.176 30 10 JEEE CNC(=O)[C@@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1ncccc1N(C)C 1748121055 CVPRRONHTSBZTF-KRWDZBQOSA-N 462.558 2.056 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1748651931 UEWAZDQAKSPJDA-VAXXYWNWSA-N 487.626 2.382 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1CC1CC1)[C@H]1CCS(=O)(=O)C1 1748805773 VWTFUYOBHNGYMD-HNNXBMFYSA-N 452.378 2.083 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1Cc1sccc1Br)[C@H]1CCS(=O)(=O)C1 1748811104 BSDWEDHEXSMKBE-ZDUSSCGKSA-N 493.412 2.234 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC1CCN(CCC(C)C)CC1)[C@H]1CCS(=O)(=O)C1 1748817671 NXGXDGQYDZPBMW-YADHBBJMSA-N 477.675 2.167 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1CC(C)(C)CN(C)C)[C@H]1CCS(=O)(=O)C1 1748820998 LCMSVAXSHBEDDO-NRFANRHFSA-N 457.644 2.278 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCN1C(=O)OC(C)(C)C 1748875213 NOVQNVJZGUVHQM-LJQANCHMSA-N 454.575 2.377 30 10 JEEE C#CCN(CC#CC)c1nnc(Cc2ccncc2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1748896571 FYRXVDVBPHAAOK-NRFANRHFSA-N 455.570 2.228 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2ccc(NC(=O)NC(C)C)cc2)CC1 1749018650 CAFBSFMNEHAIPV-UHFFFAOYSA-N 481.601 2.359 30 10 JEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)c2cc(C)oc2C)CC1 1749034293 YVXURRZDJXDKFT-IBGZPJMESA-N 470.599 2.204 30 10 JEEE C=C(Br)Cn1c(-c2noc3c2COCC3)nnc1N1C[C@@H](COC)O[C@H](C)C1 1749097977 LTOWXSBVOLFPJT-OLZOCXBDSA-N 454.325 2.155 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1cn(C2COC2)nn1 1749488162 VYLALKWEASBMMV-MRXNPFEDSA-N 458.567 2.226 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1749663977 CQJRQHGMTDFXKB-BTYIYWSLSA-N 476.375 2.394 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](CN2CCCCCC2)C1 1749730794 QTQBFPKDQIZCMD-HXUWFJFHSA-N 475.663 2.372 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1cccnc1OC 1760102742 PNKMIJXOOPPNGT-MRXNPFEDSA-N 454.556 2.105 30 10 JEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)O[C@H](c2ccsc2)C1 1760137941 OHGYWHYDWBYMOD-IHPCNDPISA-N 493.655 2.442 30 10 JEEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(Cc2cnc(C)s2)CC1 1760144094 CSMSVRVGLQNNBM-UHFFFAOYSA-N 450.572 2.426 30 10 JEEE C#CCCCn1c(-c2cccn2C)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1760151957 SLBUKFAAVIFFHB-OYRHEFFESA-N 451.619 2.324 30 10 JEEE C#CCN(c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C/C=C\CC)[C@@H]1CCS(=O)(=O)C1 1760185756 CMSMZXUYBOTMJB-JCMVTEASSA-N 493.630 2.179 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ccsc1Br)[C@H]1CCS(=O)(=O)C1 1760188059 GZKLAOFCHABZOQ-AWEZNQCLSA-N 493.412 2.234 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCCN1c1cnn(C)c1 1760245330 ZPXWRPQOMHWRSZ-HXUWFJFHSA-N 464.530 2.342 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)s3)n2CCN2CCOC[C@@H]2C)CC1 1760255985 RAOLYCQIAZXFPE-INIZCTEOSA-N 479.448 2.245 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2(O)CCCCCC2)CC1 1760271002 IBFSUMMVDXNOCU-UHFFFAOYSA-N 467.618 2.191 30 10 JEEE C=C1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1760385743 WRYDGTTZOJRPIZ-IBGZPJMESA-N 467.389 2.414 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@]2(CCCOC2)C1 1760412525 MUWPGNSHEBPJFZ-XMSQKQJNSA-N 467.636 2.220 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@](O)(c1ccccc1)C(F)(F)F 1760505405 SUMYXPYWNXUVQO-OXQOHEQNSA-N 488.532 2.269 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCCN(CC(F)(F)F)CC1 1760524918 NPVOGNIGROSTEI-UHFFFAOYSA-N 466.508 2.254 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CN(Cc3ccccc3)CCO2)C1 1760533030 AHEFJQWRNXDONW-VXKWHMMOSA-N 468.602 2.099 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCS[C@H](C)[C@H]1C 1760555532 HUDKFZXSFIQFBV-QZTJIDSGSA-N 491.687 2.383 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](OC)C1 1760555994 RYXAGBDBEISIDV-QZTJIDSGSA-N 483.635 2.219 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(C(=O)O)cc2)cc1OC 1862573177 WIYLTBJEBOYYHG-QFIPXVFZSA-N 496.516 2.313 30 10 JEEE O=C(C1=C(O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1ccc(O)c(O)c1)c1ccc([N+](=O)[O-])cc1 1862750695 BNHNKXRHTZMVHI-OAQYLSRUSA-N 483.477 2.307 30 10 JEEE C=CCOc1ccccc1[C@@H]1C(C(=O)N[C@H]2CCCC[C@H]2C)=C(N)Oc2c1c(=O)n(C)c(=O)n2C 1865722698 YAXNTZQAJWZFIN-HHXXYDBFSA-N 480.565 2.038 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)[C@H](C)Oc3cccc4c3C(=O)N(CCOC)C4=O)cc21 1865808877 GLWJRNMRDSMBCO-HNNXBMFYSA-N 464.474 2.491 30 10 JEEE N#Cc1c(NC(=O)COc2nonc2CC(=O)NCCc2ccccc2)sc2c1CCC2 1872649660 INCHPMMBRIMFDV-UHFFFAOYSA-N 451.508 2.410 30 10 JEEE CC(=O)NCc1nnc(SCC(=O)N[C@H](C)c2ccccc2)n1/N=C/c1ccc(O)cc1 1874436334 WTPIRKMVFLIGDQ-ZIFAQYRBSA-N 452.540 2.472 30 10 JEEE CC(C)c1cc(OCC(=O)N2CCC(OCC#CCN3CCN(C(C)C)CC3)CC2)ncn1 1890237427 UQDDPHRVFYGMIL-UHFFFAOYSA-N 457.619 2.016 30 10 JEEE O=C(NCC#CCN1CCc2ccccc2C1)[C@H]1CCCCN1S(=O)(=O)c1ccccc1 1891430270 BRFLTTWEWBPZLK-XMMPIXPASA-N 451.592 2.408 30 10 JEEE COC(=O)C1[C@]2(OC(c3ccccc3)=CC2=O)C(C(=O)OC)[C@@]12OC(c1ccccc1)=CC2=O 2040510533 AQUNJOWOGRPWFI-NGCQQJLCSA-N 460.438 2.337 30 10 JEEE CC(C)(C)OC(=O)N1CC(NC(=O)COc2ccc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2049393070 ZSSRSYXOPDMIIW-UHFFFAOYSA-N 450.316 2.239 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2180980989 ONTTUGYHKUVGFT-RTBURBONSA-N 460.380 2.015 30 10 JEEE CC(C)(C)OC(=O)N1CCS(=O)(=NC(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)CC1 2255534449 HUASRLSKMKSDEP-UHFFFAOYSA-N 471.410 2.301 30 10 JEEE CC(C)(C)OC(=O)N1CCS(=O)(=NC(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)CC1 2255707083 RLWSMMOHVRQWIA-UHFFFAOYSA-N 454.354 2.438 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1COC[C@H]1NC(=O)c1csc(B2OC(C)(C)C(C)(C)O2)c1 2255711533 ARDGMSWALPNKLW-HUUCEWRRSA-N 452.382 2.317 30 10 JEEE CC1(C)OB(c2c[nH]nc2C(=O)N2CCC[C@H](CNC(=O)OCc3ccccc3)C2)OC1(C)C 2255831700 ZXENGOIIGVXNRA-GOSISDBHSA-N 468.363 2.488 30 10 JEEE CC(C)(C)OC(=O)N1CCS(=O)(=NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)CC1 2255848963 IUYQEENMXPULCG-UHFFFAOYSA-N 454.354 2.438 30 10 JEEE CNC(=O)CN(Cc1ccccc1)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2255953831 OWBKLAZWVXBULH-UHFFFAOYSA-N 464.418 2.125 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](F)C[C@H]1C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2256619893 BTUBIRAZKFUUGZ-OCCSQVGLSA-N 455.361 2.406 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)sc1CN(C)C(=O)[C@@H](O)CNC(=O)OC(C)(C)C 2256623872 HWJZRYQIANBUNQ-AWEZNQCLSA-N 454.398 2.200 30 10 JEEE CC[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 2256639663 DUEUJYHGWCRFQF-OLZOCXBDSA-N 452.386 2.233 30 10 JEEE CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1sccc1B1OC(C)(C)C(C)(C)O1 2256681328 JSMWCWLCBVVEFR-HNNXBMFYSA-N 453.414 2.118 30 10 JEEE CN(C[C@]1(O)CCN(Cc2ccccc2)C1)C(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2267161625 DUSSUUQKVVGFIW-HSZRJFAPSA-N 457.405 2.151 30 10 JEEE Cc1sc(C(=O)N2C[C@@H](O)C[C@@H]2CNC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2267545458 JJZSZAZFNJKOAZ-CABCVRRESA-N 466.409 2.456 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCO[C@H]2[C@H]1NC(=O)c1csc(B2OC(C)(C)C(C)(C)O2)c1 2267562001 WZJBSTPXGAGZIV-PQEBFOHHSA-N 464.393 2.458 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CO)CNC(=O)c1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1Cl 2267810342 IHPGPVMYCJNVTL-GFCCVEGCSA-N 472.750 2.394 30 10 JEEE COC1(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)CN(C(=O)OC(C)(C)C)C1 2268664302 SZKGRMSAGPLHBJ-UHFFFAOYSA-N 451.304 2.094 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CN(c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)CC[C@H]1CO 2268997595 KITCKOCHWKPQIF-YOEHRIQHSA-N 451.348 2.232 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1CC(F)(F)CN1C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2278900406 BEIUMOMZGLTUND-LBPRGKRZSA-N 456.299 2.083 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1CC(F)(F)CN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2278901600 PSCAJWWXFVNFCG-LBPRGKRZSA-N 456.299 2.083 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1COC[C@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2281770839 AANPCLGZWPZFJC-MAUKXSAKSA-N 464.343 2.394 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(C(=O)OC(C)(C)C)[C@H]2CC[C@@H]21 2282001173 XRVALXYOKOHORM-HOTGVXAUSA-N 460.384 2.252 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@]2(C[C@@H](NC(=O)c3csnc3B3OC(C)(C)C(C)(C)O3)CO2)C1 2282001349 ACGQBKCDRHPBLV-JLCFBVMHSA-N 479.408 2.341 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(C)[C@@H](C)C1CN(C(=O)OC(C)(C)C)C1 2282006413 UOVPMLHRGVTJOZ-HNNXBMFYSA-N 462.400 2.355 30 10 JEEE CC(C)(C)OC(=O)N1CC(N(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)[C@H]2CCOC2)C1 2282009894 UMMJIGLEVVQOAK-AWEZNQCLSA-N 479.408 2.293 30 10 JEEE Cc1cc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2O)ccc1B1OC(C)(C)C(C)(C)O1 2282113716 TVRZNGDBEREXSX-MOPGFXCFSA-N 460.380 2.394 30 10 JEEE 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)c1 2282114463 DIVNUWDETXZKFQ-DLBZAZTESA-N 460.380 2.394 30 10 JEEE C[C@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)C[C@@]1(C)CNC(=O)OC(C)(C)C 2282532684 ASXAVUWLYDZPLN-NPMXOYFQSA-N 462.400 2.342 30 10 JEEE CCCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NCC1(NC(=O)OC(C)(C)C)COC1 2282539960 CKKPQWNECIZMME-UHFFFAOYSA-N 463.384 2.221 30 10 JEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CCN(C(=O)OC(C)(C)C)[C@@H]2COC[C@@H]21 2282558757 KUTFKWOFECKFOL-DLBZAZTESA-N 462.352 2.348 30 10 JEEE COc1cc(C(=O)N[C@H]2COC[C@H]2NC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2282567793 SMRRBVYDBKDGKT-DLBZAZTESA-N 462.352 2.016 30 10 JEEE CC1(C)CN(Cc2ccccc2)[C@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CO1 2282576109 MPVQCSZKPWPXCI-GOSISDBHSA-N 454.380 2.118 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@](C)(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)C1 2282605695 KJIVTXSVJUSVHO-JOCHJYFZSA-N 481.424 2.446 30 10 JEEE CC(C)(C)OC(=O)N1CC2(CCC[C@H]2NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2282649391 ZEIXUMGGRFGNPH-MRXNPFEDSA-N 458.368 2.295 30 10 JEEE Cc1ccc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2O)cc1B1OC(C)(C)C(C)(C)O1 2282690574 XXRUFKPWCXTTLB-MOPGFXCFSA-N 460.380 2.394 30 10 JEEE CN1CCC(N(Cc2ccccc2)S(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CC1 2282837497 FHLCUFRAUYNEGW-UHFFFAOYSA-N 474.436 2.004 30 10 JEEE Cc1cc(CN(C)C(=O)[C@@H](CC(N)=O)NC(=O)OC(C)(C)C)sc1B1OC(C)(C)C(C)(C)O1 2283933975 VCTWRLCAHOCWID-OAHLLOKOSA-N 481.424 2.083 30 10 JEEE CC(C)(C)OC(=O)N(CCO)CC(=O)N1CCCc2c(B3OC(C)(C)C(C)(C)O3)cccc21 2283946564 OUUIHMJWOGAUMD-UHFFFAOYSA-N 460.380 2.494 30 10 JEEE Cc1sc(CNC(=O)CN2CC(NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1C 2283952484 JDXSSPUSCHPYTG-UHFFFAOYSA-N 479.452 2.489 30 10 JEEE CCOC(=O)Cn1cnc(N=C2SC(=CC(=O)OC)C(=O)N2c2ccccc2)c1C(=O)OCC 2297508074 MKRZEUVJQRKXSO-UHFFFAOYSA-N 486.506 2.447 30 10 JEEE C=CCN1C(=O)NC(=O)C(=Cc2c(CCN(C)C(=O)c3ccccc3)cc3c(c2OC)OCO3)C1=O 2297638982 OPWCHZIQXUKNMP-UHFFFAOYSA-N 491.500 2.386 30 10 JEEE CC(C)N1C[C@H](c2nnc(SCC(N)=O)n2N=Cc2ccc(C(F)(F)F)cc2)CC1=O 2329012613 UKWGRMAGEUUQCF-CYBMUJFWSA-N 454.478 2.481 30 10 JEEE CN[C@@](C#N)(Cn1c(C)nc(I)c1I)C(C)(C)OC 2340694809 ZNIQKVPYTQCJKY-LBPRGKRZSA-N 488.111 2.308 30 10 JEEE CN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn1C)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1F 2343638304 BAKTWBJRDDARND-DOTOQJQBSA-N 451.348 2.354 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@H]2CCN(C(=O)c3cnsc3B3OC(C)(C)C(C)(C)O3)C[C@@H]21 2362575244 ZYNBFZIHFPULQT-HOTGVXAUSA-N 479.408 2.293 30 10 JEEE COc1[nH]c(=NCC[C@H]2CN(C(=O)OC(C)(C)C)CCO2)ccc1B1OC(C)(C)C(C)(C)O1 2365344986 WDUVYDLBQKEGKG-INIZCTEOSA-N 463.384 2.249 30 10 JEEE C=CCNC(=O)[C@@H]1CCCN1C(=O)c1ccc(NS(=O)(=O)c2cc(OC)ccc2OC)cc1 21712963 RQAWXSVAXNJFSC-IBGZPJMESA-N 473.551 2.411 30 10 JEEE O=c1n(-c2ccccc2)c(=O)n2n1[C@H]1C=C[C@H]2[C@H]2C/C(=N/Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H]21 230121939 UVZZHCYJZWPTAK-GHAFMVMDSA-N 475.421 2.387 30 10 JEEE CC(=O)OCC(=O)[C@]1(O)[C@H](C)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 254294302 ISSQQUKLQJHHOR-URYKHXDCSA-N 452.494 2.415 30 10 JEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(C)(C)C)cc2)c(=O)n1C[C@H]1CCCO1 603798527 MZGXHUFFTAUDEH-LJQANCHMSA-N 451.592 2.192 30 10 JEEE C=CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCN([C@@H](C)c3ccccc3)CC2)cc1 803380542 ABJCRTADFGUPOH-IBGZPJMESA-N 471.579 2.213 30 10 JEEE COC(=O)c1ccc(NC(=O)CSc2n[nH]c(NN=Cc3cccc(OC)c3O)n2)cc1 1084035714 IXZAGARZQWZPLJ-UHFFFAOYSA-N 456.484 2.482 30 10 JEEE C#CCn1ccc(CN(CC)S(=O)(=O)c2ccc(Br)cc2CC(=O)OC)n1 1189897880 ZKRWGVYIDHWVJU-UHFFFAOYSA-N 454.346 2.205 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1ccc(COC)cc1)[C@H]1CCS(=O)(=O)C1 1286395671 SMGQFLBCOVFNFE-QFIPXVFZSA-N 465.579 2.085 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@](C)(O)c1ccco1 1286426556 ZGKDMILTQMPBPR-RUZDIDTESA-N 456.506 2.156 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCN(C)CC(F)(F)F)CC1 1286473691 QYVMOHLGKQVQPJ-UHFFFAOYSA-N 451.453 2.103 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CCCC(=O)N(CC)CC)CC1 1286488363 XPQOZCKNYMPCHY-UHFFFAOYSA-N 454.575 2.461 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccn2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1286562355 QZXISYTZQUJBJD-NZQKXSOJSA-N 467.618 2.312 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)C[C@@H]1CCCO1 1286672053 FZIWEGLJCZZFEJ-ROUUACIJSA-N 455.625 2.219 30 10 JEEE C=CCC(C)(C)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCS(=O)(=O)CC1 1286674139 NCWIUJBTEZFZCW-UHFFFAOYSA-N 486.686 2.480 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc(CN2CCCC2=O)n1C[C@H]1CCCS(=O)(=O)C1 1286763344 XGBJOARKRTYAJR-OAQYLSRUSA-N 471.627 2.460 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCn2cc(Br)cn2)C1 1286797803 BNNRMTUDZSPCKG-INIZCTEOSA-N 487.362 2.366 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCN(c2oc(C3CC3)nc2C#N)CC1 1286818720 ZNOWYAZJWQADEV-MRXNPFEDSA-N 473.603 2.456 30 10 JEEE CC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCOC(C)(C)C2)C1 1286906374 HSFKPTAKRFQPGE-NRFANRHFSA-N 451.575 2.032 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCc1ccc(Br)s1 1288168763 AICUETMJLVYQJJ-GFCCVEGCSA-N 453.366 2.212 30 10 JEEE CC[C@@H](C)NC(=O)CCn1c(Cc2ccccn2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1291816697 HRSUQIMNMIBYAP-LJQANCHMSA-N 473.585 2.162 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1C[C@@](C)(O)CCOC)[C@@H]1CCS(=O)(=O)C1 1300489039 IGHSAQBUEBXLIW-NQIIRXRSSA-N 466.991 2.013 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCOc1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 1300495711 JRJVKTUQGZWHIH-SJLPKXTDSA-N 464.975 2.141 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1Cc1ncccc1N(C)C)[C@@H]1CCS(=O)(=O)C1 1300502066 QLEIXCSZOZZJFP-GOSISDBHSA-N 470.624 2.066 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1c(C)nn(C)c1C)[C@@H]1CCS(=O)(=O)C1 1300504986 XCIWUNCXSOEFNF-SFHLNBCPSA-N 488.658 2.222 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1csc2ccccc12 1300537726 JMWDIXHTNMDOPL-FQEVSTJZSA-N 483.619 2.141 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H](N1CCOCC1)C(F)(F)F 1300579799 WZHZREUFBHGFOD-IBGZPJMESA-N 499.497 2.320 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1(S(C)(=O)=O)CCC1 1300619460 XYMBWJYRIMXKIJ-UHFFFAOYSA-N 468.583 2.102 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN1CC 1300650819 XUQNOJRRRDZPFI-TZIWHRDSSA-N 459.591 2.443 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(C(=O)N3CCCC3)n2Cc2cc(C(C)(C)C)no2)n1 1300675475 CLMOWTFBROJUFU-UHFFFAOYSA-N 494.600 2.331 30 10 JEEE C#CCSCCn1c(CCc2ccc(OC)cc2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1300767814 GHXLRYITJIRRBY-VWLOTQADSA-N 496.637 2.253 30 10 JEEE C=CC[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)c1ccccc1 1301165256 FOTGHXUZUFNOQT-VAMGGRTRSA-N 478.640 2.163 30 10 JEEE C=CCCCCn1c(Cc2cccnc2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1301190613 VUZFPOGUGOWCFZ-OAQYLSRUSA-N 474.631 2.251 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1snnc1C 1301349700 OBUWZIAFFIHDFK-AWEZNQCLSA-N 465.580 2.428 30 10 JEEE C=CCS(=O)(=O)CCn1c(N(C)[C@@H](C)CC#N)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1301593365 NGFXDADNIZUYGZ-YESZJQIVSA-N 466.608 2.388 30 10 JEEE C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 1312638346 WBUVYQPXZNYSIC-ZVZYQTTQSA-N 472.405 2.493 30 10 JEEE CCCOc1ncccc1Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](C#N)C1 1313521001 GYQAHLZJAKUWKP-KRWDZBQOSA-N 467.555 2.230 30 10 JEEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCC(CC#N)CC3)n2CCC[C@@H]2CCCCO2)C1 1316353560 AANXSWDDLQFCJV-PMACEKPBSA-N 480.635 2.090 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(Br)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1359021013 YSSNWOAVWUHTHE-INIZCTEOSA-N 496.431 2.075 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2CCCN(C(C)C)C2)CC1 1359048561 VFLOZEQUFYMKPF-PUHATCMVSA-N 486.661 2.088 30 10 JEEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1359081446 AZVATZWGGVCNET-UHFFFAOYSA-N 451.373 2.171 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1359098503 BQOUSAVFJMCAMH-FYYLOGMGSA-N 486.661 2.398 30 10 JEEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1359289275 RGIWTIXZDKFGAF-UHFFFAOYSA-N 457.648 2.450 30 10 JEEE CC(C)(C)[S@@](=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1359588884 ARSCQUKSMYAGFD-YTTGMZPUSA-N 452.588 2.414 30 10 JEEE Cc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@@H](C#N)C2)c(OCC(F)(F)F)c1 1361263624 HBPDMXKQZNKBMR-INIZCTEOSA-N 466.464 2.443 30 10 JEEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCN(Cc3cc(OC)cc(OC)c3)C2)c1 1445617286 YRFLWVHDQWGTTM-IBGZPJMESA-N 459.568 2.172 30 10 JEEE C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)S(=O)(=O)c1cc(Br)cc(C#N)c1 1474930214 AHDGIWUBLDGBIL-LLVKDONJSA-N 458.359 2.350 30 10 JEEE COc1ccc(CCc2nnc(N3CCC[C@@](C)(C#N)C3)n2CCN2CCCS2(=O)=O)cc1 1504226985 DYRSRERZAUSQKM-QHCPKHFHSA-N 472.615 2.237 30 10 JEEE C#CCCCn1c(COc2ccccc2F)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1507594593 GUSNLYXHLBZCOH-UHFFFAOYSA-N 455.534 2.485 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@H]1CCCCS1(=O)=O 1507661608 BBLMJBGAIWNXTF-IBGZPJMESA-N 486.594 2.401 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@@]1(O)CCOC1 1507665310 UZMXKXIBMUUSLF-NRFANRHFSA-N 459.344 2.331 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2CCc2ccc(S(C)(=O)=O)cc2)CC1 1507723300 CPOUWIDCBZBRLM-UHFFFAOYSA-N 464.595 2.050 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@H](C)N(CC)CC)CC1 1507729613 IZGBMOYSNMDVHS-NHCUHLMSSA-N 489.665 2.072 30 10 JEEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1507750011 FWXYKYDTRNERDI-UHFFFAOYSA-N 452.588 2.084 30 10 JEEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2ccc(F)cc2F)C1 1507837202 KIPWCIXQBZQXPZ-HNAYVOBHSA-N 485.557 2.337 30 10 JEEE C=C1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1507892781 ZLFUHDSSYIBWDL-SFHVURJKSA-N 461.588 2.304 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CCN(CC(F)F)CC1 1508076379 ZSPIYGWMESTUCV-UHFFFAOYSA-N 469.334 2.397 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1508134728 HKJZNANJEGVIRW-IBGZPJMESA-N 475.615 2.296 30 10 JEEE C=CCS(=O)(=O)CCn1c(CSc2ccc(C)cc2)nnc1N1CCn2nc(C)nc2C1 1508148139 GKKQOXXKJPENOT-UHFFFAOYSA-N 473.628 2.400 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccn(-c2ccc(F)cc2)n1 1508421674 BXJHVWIPZXMDOH-IRXDYDNUSA-N 471.562 2.344 30 10 JEEE Cc1cnn(CCn2c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CCO[C@@H](C#N)C2)c1 1511419253 HZMVWCSCMYXXLH-OALUTQOASA-N 470.578 2.327 30 10 JEEE CN(CCN1CCOCC1)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCC[C@H](O)C1 1517330832 BTCSNXMDRLEKSH-SFTDATJTSA-N 454.575 2.048 30 10 JEEE CS(=O)(=O)N1CC[C@H](Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCC(C#N)CC2)C1 1519528627 DYBHZCONPAMGPF-AWEZNQCLSA-N 482.408 2.057 30 10 JEEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1ccc(N2CCOCC2)c(F)c1)[C@H]1CCS(=O)(=O)C1 1539203287 OXQRQGHVWDSRBA-ICSRJNTNSA-N 489.617 2.442 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCOCCS(C)(=O)=O 1539250412 NBFNDRGYGLAJFL-UHFFFAOYSA-N 455.367 2.386 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H](C(C)C)N1CCOCC1 1539401087 RWJYJGNGEJBFOQ-LJQANCHMSA-N 479.423 2.479 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CCC(=O)NCc2ccccc2)CC1 1539477735 XBRDYBVAVSTYDG-UHFFFAOYSA-N 485.592 2.321 30 10 JEEE C#CCSCCn1c(-c2cccc3cccnc23)nnc1N1CCO[C@@H](CNC(C)=O)C1 1539505270 ABQLWEXADGCUAG-IBGZPJMESA-N 450.568 2.201 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1539641114 CYGQMBZNYUWJOY-ZWOKBUDYSA-N 470.540 2.455 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](Oc2ccccc2Cl)C1 1540897935 WAPGUJNLCHNWFQ-KRWDZBQOSA-N 494.017 2.426 30 10 JEEE C[C@]1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(CC#N)CC2)CCCS1 1542017939 CALCAPAOYRNBBZ-YLJYHZDGSA-N 468.649 2.027 30 10 JEEE CCn1cc([C@@H]2CN(c3nnc(COc4ccc(C#N)cc4)n3C[C@@H](C)N(C)C)CCO2)cn1 1547609982 HVLFYCGGSVAAMW-GCJKJVERSA-N 464.574 2.473 30 10 JEEE N#Cc1ccc(N2CCN(C(=O)CNS(=O)(=O)c3c(Cl)cccc3Cl)CC2)cc1 1586110902 HUUPQBALCHVDHL-UHFFFAOYSA-N 453.351 2.492 30 10 JEEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](NC(=O)CC)C1 1587860981 DODUTXKRFXVLPP-RTBURBONSA-N 474.606 2.495 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1cnnn1C)[C@H]1CCS(=O)(=O)C1 1588040007 HKKKUWZRTHWSLS-AWEZNQCLSA-N 480.381 2.055 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCCN1CCCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1588053575 FWAAMTDOYFFMAK-HBMCJLEFSA-N 463.648 2.063 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(-n2cncn2)c1 1588174529 WVFDRCBIHQWTOB-UHFFFAOYSA-N 451.494 2.017 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCN2CC=CCC2)CC1 1588876630 DEGAJEFPKJJCGV-NRFANRHFSA-N 469.634 2.367 30 10 JEEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1594625116 DQSCWSIJSPCQCJ-IBGZPJMESA-N 464.636 2.264 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1595789687 ZVBKCSDVGZCAHU-FQEVSTJZSA-N 471.587 2.044 30 10 JEEE Cc1nn(C)c(N2CCN(c3nnc([C@@H]4CCOC4)n3CCN(C(C)C)C(C)C)CC2)c1C#N 1612469447 AICOBBPHRGXVHN-HXUWFJFHSA-N 469.638 2.141 30 10 JEEE CC[C@H](C)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NC2CC2)CC1)OC 1613129863 AHYIDZPXUHRVCS-PGRDOPGGSA-N 465.602 2.278 30 10 JEEE C=C(Cl)C[C@H](NC(=O)CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)C(=O)OCC 1642684134 WSULNSHSISORDZ-ZDUSSCGKSA-N 458.842 2.054 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCCO[C@H]1C1CCN(S(=O)(=O)c2cncc(C#N)c2)CC1 1655557378 DWZXYLXCMQZHBN-MOPGFXCFSA-N 450.561 2.426 30 10 JEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NS(=O)(=O)c1ccc(Br)c(C#N)c1 1664481175 DOAQUUFEPDGTAS-HUUCEWRRSA-N 460.350 2.233 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1CC(=O)NC1CCCCC1)[C@H]1CCS(=O)(=O)C1 1689993830 MGXCMFNVNIRWKW-QFIPXVFZSA-N 483.638 2.139 30 10 JEEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1CCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1689996052 DDNVWJZPYYNTOJ-NRFANRHFSA-N 482.610 2.306 30 10 JEEE C=C(C)COCCn1c(N2CCN(c3ccc(C#N)cn3)CC2)nnc1[C@@]1(OCC)CCOC1 1690320278 PBFWTPVZNDHVBS-XMMPIXPASA-N 467.574 2.116 30 10 JEEE C=CCN(CCOC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@]1(O)CCO[C@@H]1C 1690620026 MQWFTUDMOVRQII-CJAUYULYSA-N 482.585 2.415 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(C(=O)Cc2cccc(OC)c2)CC1 1690722982 DGHVPRYENFNKRX-UHFFFAOYSA-N 487.626 2.046 30 10 JEEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNC(=O)OC(C)(C)C)CC1 1690838697 QJZDUBGZQZUFLJ-UHFFFAOYSA-N 453.547 2.400 30 10 JEEE CC(C)(C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCS(=O)(=O)C(C)(C)C 1691098822 AGNPQHZXWLMMEL-UHFFFAOYSA-N 459.620 2.382 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@@H]1CC1(C)C 1692793384 GUVIDBHZTSOKEM-WMZOPIPTSA-N 457.604 2.133 30 10 JEEE CC(C)N(CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C)C(C)C 1693745625 GSVJJDTZHWLLGL-UXHICEINSA-N 494.648 2.115 30 10 JEEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](CN2CCCC[C@H]2C)C1 1697022066 CDZVDKFMQZSDQV-TZIWHRDSSA-N 485.658 2.457 30 10 JEEE COc1ccccc1OCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@H](C)N(C)C 1697616440 DVJLIKGCHLSMLJ-IBGZPJMESA-N 476.585 2.409 30 10 JEEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(N(C)C)CCSC2)CC1 1698086945 AMUKAPQOQMZCND-QHCPKHFHSA-N 455.632 2.022 30 10 JEEE C#CCCCn1c(COc2ccccc2F)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1705537762 QEVQYLMPJODEPQ-GOSISDBHSA-N 454.550 2.199 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1CCc1c(F)cccc1F)[C@@H]1CCS(=O)(=O)C1 1705564451 OLFIEGNVYDLMQA-MRXNPFEDSA-N 459.522 2.431 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CC(=O)NC1CCCCC1 1705624924 ARFCOICSQUBLFF-FQEVSTJZSA-N 452.534 2.457 30 10 JEEE C=C(C)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCO[C@@H](CNC(C)=O)C1 1705724409 MAAKIHJTLFEBJH-SFHVURJKSA-N 465.558 2.153 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1705792075 LVRIDPLVUHNSSS-AVRDEDQJSA-N 451.637 2.084 30 10 JEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2cccc(F)c2)C1 1705829897 FNXNNMJOYIUDPH-AZUAARDMSA-N 464.563 2.490 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCO[C@@](C)(CC)C1 1705895412 GMCWDBKGVQUZLK-QHCPKHFHSA-N 459.547 2.278 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(C)C)CC1 1705912600 OJWIDVRNYSXSJD-SFHVURJKSA-N 462.620 2.032 30 10 JEEE COC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCS(=O)(=O)CC2)CCCCC1 1711633102 AAYXKOHEHWQUAL-UHFFFAOYSA-N 459.572 2.313 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C(C)(F)F)cc1 1722297362 ZBZFIUYWZZWWIN-YJBOKZPZSA-N 467.542 2.229 30 10 JEEE C#CCCCn1c(-c2ccc(Br)s2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1722327517 FPKGVXPQZPYMKG-UHFFFAOYSA-N 491.415 2.110 30 10 JEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2nccc(OCC)n2)CC1 1722339078 VTXLJFIOZACZQJ-UHFFFAOYSA-N 480.598 2.198 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@H]1N(C)CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1722365687 DXHQJCWHJUMINM-PZJWPPBQSA-N 470.643 2.396 30 10 JEEE C#CCN(c1nnc(C2CCCC2)n1Cc1ccc(C(=O)NCC)cc1)[C@H]1CCS(=O)(=O)C1 1722367231 LECFVXGWCCSJGC-NRFANRHFSA-N 469.611 2.360 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(NC(=O)C2CCCC2)c1 1722372836 FOXIANOPPYTFLJ-GOSISDBHSA-N 482.610 2.138 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2CCC(=O)N[C@H](C)CC)CC1 1722445432 PYQIOVVMWAYHIU-QGZVFWFLSA-N 454.550 2.355 30 10 JEEE C#CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CCCN(CC)C(=O)C1 1722451858 IYBFXAXWUFBGPI-UHFFFAOYSA-N 465.421 2.471 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(OC)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1722494475 MWUMCGMEVWDKQC-DBQGFPOUSA-N 456.543 2.295 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H]2CCC[C@H]21 1722749666 IHAQYLIWLTZOPZ-VQIMIIECSA-N 464.613 2.328 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc(Cn2ccc3ccccc32)n1CCS(=O)(=O)N1CCSCC1 1722868695 DAHOTPZXIKOGCL-SFHVURJKSA-N 487.655 2.256 30 10 JEEE Cc1cc(C)n(CCCn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)Cc2cccc(C#N)c2)n1 1726208696 AAIIWAGCUZNUNI-SFHVURJKSA-N 470.603 2.300 30 10 JEEE CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(CS(C)(=O)=O)CC2)C[C@@H]1C 1728620567 AHJRVCJXWOGGCY-SFHVURJKSA-N 472.615 2.084 30 10 JEEE N#C[C@@]1(F)CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCN2CCOCC2)C1 1731179163 AMEAFAMBVJKAFK-SFHVURJKSA-N 452.332 2.200 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2C[C@H](C(C)C)N2CCOCC2)c1 1740564827 YXOFUBRZSJBXQX-FYYLOGMGSA-N 480.613 2.195 30 10 JEEE C#CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1740581814 GVSXEHDUNGYYMQ-UHFFFAOYSA-N 461.588 2.141 30 10 JEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@](C)(O)c1cccs1 1740637107 QKWAFQFIXALWJE-QFIPXVFZSA-N 468.608 2.280 30 10 JEEE C#CCN1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2C[C@@](C)(O)[C@@H](C)CC)CC1 1740696587 YIPYHDAKBKXEGC-NBGIEHNGSA-N 466.634 2.004 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CC2(SC)CCOCC2)CC1 1740704313 NMNHKMJFCQNZHH-UHFFFAOYSA-N 454.600 2.218 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2C[C@H](CCC)OC)CC1 1740705358 GDEOKMWCLBZECY-QFIPXVFZSA-N 494.644 2.233 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1740722871 HKUHCDXMWZEROO-IQGLISFBSA-N 475.528 2.401 30 10 JEEE C=C(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1740779476 IJYXBKOLWRVQCX-UHFFFAOYSA-N 453.528 2.033 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)Oc2ccc(OC)cc2)CC1 1740825281 LIPKQZORIAGJEJ-NQIIRXRSSA-N 491.614 2.244 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC(C(=O)NC2CCCCC2)CC1 1740961350 AGLROZWQRJRFEB-UHFFFAOYSA-N 465.602 2.231 30 10 JEEE CC(C)NC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCSC2)CC1 1741705270 AAMWLWONWUHWEL-FQEVSTJZSA-N 483.642 2.128 30 10 JEEE Cc1cc(C)cc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCS(=O)(=O)C(C)(C)C)c1 1742112049 COUYRTDHHVAZCE-IBGZPJMESA-N 461.588 2.416 30 10 JEEE CN(CCCn1c(-c2cccc(C#N)c2)nnc1N(C)CCS(C)(=O)=O)CC(F)(F)F 1747924120 AIIDYIAAKWDTFJ-UHFFFAOYSA-N 458.510 2.182 30 10 JEEE C#CCCCCn1c(-c2cccc(Br)c2)nnc1N(C)CCNS(C)(=O)=O 1748701677 NTLFRUKYDFLQPH-UHFFFAOYSA-N 454.394 2.497 30 10 JEEE C#CCCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1748702695 AXNZXDVXNQDUEM-AEFFLSMTSA-N 453.543 2.489 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1cccc(Br)n1)[C@@H]1CCS(=O)(=O)C1 1748817143 FWLMZZXYZKYFTQ-NVXWUHKLSA-N 494.415 2.005 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1CCc1nnc(C)s1)[C@H]1CCS(=O)(=O)C1 1748819976 WBATVLJYDBOGQV-KRWDZBQOSA-N 474.587 2.037 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1CCCN1CCCO[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1748820728 IATXHKINLCYUHB-ISKFKSNPSA-N 499.681 2.191 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@]1(O)CCS(=O)(=O)C1 1748868471 XNRJKFYFNUZCPA-RDPSFJRHSA-N 470.595 2.047 30 10 JEEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1C[C@H](C(C)C)N1CCOCC1 1748896560 FUGSVRDYORDRTJ-HSZRJFAPSA-N 459.598 2.336 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1CCS(=O)(=O)C(C)(C)C 1748950807 OUMLSEWUKWQKGW-UHFFFAOYSA-N 486.436 2.345 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2csc(COC)n2)CC1 1749003566 NETGXFHBRXIDMU-UHFFFAOYSA-N 495.565 2.470 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2C[C@H]2CC(F)(F)CO2)CC1 1749016938 QOHIRBFSCVJNEC-GOSISDBHSA-N 461.488 2.398 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(c2ccc(OC)cc2)CC1 1749229109 HBJUFOYDEXCHSS-HXUWFJFHSA-N 489.642 2.498 30 10 JEEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1749232825 UTVHEVHLRCBVRA-URXFXBBRSA-N 481.645 2.236 30 10 JEEE C=CCCCCn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1749395887 SCHMHEBOEIGPBF-UHFFFAOYSA-N 455.954 2.290 30 10 JEEE C=CCCOCCn1c(CC(C)(C)C)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1749458251 XKLQKQWNMVRYRA-UHFFFAOYSA-N 474.650 2.400 30 10 JEEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCCN1S(C)(=O)=O 1749594561 MJDHJTZXQYPTRB-MRXNPFEDSA-N 454.984 2.056 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1749725144 QTNPXXKUKFLQSX-MBSDFSHPSA-N 471.583 2.192 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CCNc1nccc(C(F)(F)F)n1 1760098943 BBUCFJYBWNHAHW-IFXJQAMLSA-N 453.469 2.309 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CC2(O)CCCCC2)c1 1760127348 WZYGLVAFLSEVLR-UHFFFAOYSA-N 452.559 2.168 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1C[C@H]1CCCS(=O)(=O)C1 1760243644 ONJCJRSLXSBHAB-LJQANCHMSA-N 473.574 2.004 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cc(Cl)c(OC)c(OC)c2)CC1 1760252946 YPBNSCQHWBHKBT-UHFFFAOYSA-N 495.971 2.400 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCCC(F)(F)C2)CC1 1760261140 HHXNMYCSPGVIIE-QZTJIDSGSA-N 455.575 2.151 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2Cc2cccn(CC)c2=O)CC1 1760270836 BXUMQTNJPTZHSY-UHFFFAOYSA-N 492.555 2.192 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(C)(C)C(=O)NC 1760291027 XRFIAXNEVARBIN-HSZRJFAPSA-N 471.631 2.311 30 10 JEEE C=CCCCCn1c(N2CCN(S(C)(=O)=O)[C@@H](C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1760430196 BOEGZZNNHCCKSS-GHTZIAJQSA-N 455.625 2.145 30 10 JEEE C=CCOc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)cc1 1760531744 YHHVFAKIDPUYQY-HXUWFJFHSA-N 473.599 2.027 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccn3C)n2CCCN2CCC[C@H]2C(=O)N(C)C)C1 1760540209 DAQSLTDPNYPTGY-CTNGQTDRSA-N 455.607 2.008 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCCN(c2ncccc2F)CC1 1760555898 QDGPSLURIQWCCN-LJQANCHMSA-N 478.594 2.371 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCc2c(cccc2OC)C1 1760556997 WQROHVZACOIQBA-UHFFFAOYSA-N 453.568 2.436 30 10 JEEE C=CCSCCn1c(CCOc2ccccc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1760567566 FWIDELSWZHDOGF-UHFFFAOYSA-N 498.653 2.090 30 10 JEEE CC[C@H](C)NC(=O)c1cccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@@H](C)C#N)c1 1762026166 HKRYXCPGKRPNDH-ZWOKBUDYSA-N 472.615 2.353 30 10 JEEE N#Cc1ccc(-c2nnc(N3CC[C@@H](C(N)=O)C3)n2CC2CCN(CC(F)(F)F)CC2)cc1 1771531880 GXDWVFRUINGZNH-GOSISDBHSA-N 461.492 2.403 30 10 JEEE N#Cc1nnn(-c2ccc(F)c(Cl)c2)c1NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1870155506 QFAUEJJGYMCIOY-UHFFFAOYSA-N 469.776 2.074 30 10 JEEE C=CCn1cc(OCC(=O)Nc2cccc(Cl)c2)c(=O)cc1CN1CCC(C(N)=O)CC1 1870713330 ARJCEDAMADOVOD-UHFFFAOYSA-N 458.946 2.403 30 10 JEEE C=CCN(CC=C)c1nc(=NCCN2C(=O)CSC2=O)[nH]c(=Nc2ccc(CC)c([N+](=O)[O-])c2)[nH]1 1871620912 RDGXNKTVLLRSPD-UHFFFAOYSA-N 498.569 2.215 30 10 JEEE NC(=O)CSc1nnc([C@H]2CC(=O)N(Cc3ccccc3)C2)n1/N=C/c1ccccc1F 1874210482 VEHMTPUGZRSETB-XMQIJXBMSA-N 452.515 2.393 30 10 JEEE CC(=O)NCc1nnc(SCC(=O)Nc2nccs2)n1/N=C/c1c[nH]c2ccccc12 1874433512 ONUNQTZFCPTIDO-NUGSKGIGSA-N 454.541 2.465 30 10 JEEE COc1cc(Br)ccc1C(=O)N1CCC(OCC#CCN2CCN(C)CC2)CC1 1889437592 ZBWFRQKTFCLPPR-UHFFFAOYSA-N 464.404 2.330 30 10 JEEE CN1CCN(CC#CCOC2CCN(S(=O)(=O)c3ccc(F)c(C(F)(F)F)c3)CC2)CC1 1890453984 HDYFOFXSGGZKGJ-UHFFFAOYSA-N 477.524 2.265 30 10 JEEE Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CCC(=O)N1CCC[C@@H](COc2cc(C#N)ccn2)C1 1891392495 WSSJAPNAPSFCOR-NHCUHLMSSA-N 485.610 2.376 30 10 JEEE Cc1nc(I)c(I)n1C[C@](N)(C#N)C1CCC1 2026502617 KLKUXKORUJWNIE-LLVKDONJSA-N 456.069 2.422 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2CCC[C@](CO)(NC(=O)OC(C)(C)C)C2)C1 2255148807 RMOJXEHKSJGZGF-HESYMAFGSA-N 451.564 2.171 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@@H](NC(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2255707791 ARUIBYXLVYCXCS-AWEZNQCLSA-N 452.382 2.413 30 10 JEEE CC(C)(C)OC(=O)N1CC(CNS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)c(F)c2)C1 2267351875 GCRYLYLYHNGYOG-UHFFFAOYSA-N 470.372 2.270 30 10 JEEE CC1(C)OB(c2cc(S(=O)(=O)N(OCc3ccccc3)C3CNC3)ccc2F)OC1(C)C 2267472697 UOKFKQWUDNKITD-UHFFFAOYSA-N 462.352 2.219 30 10 JEEE CC(C)C[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2267497127 JFYVJEFLVIHMCP-OAHLLOKOSA-N 450.389 2.389 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H]1CNS(=O)(=O)Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2267710147 OLMMMERCVJTHBP-SFHVURJKSA-N 466.409 2.415 30 10 JEEE CC(C)(C)OC(=O)N[C@]1(C(=O)Nc2ccc(Cl)c(B3OC(C)(C)C(C)(C)O3)n2)C[C@H](O)C1 2268713606 ZEFNKYLFIHQJMP-UZKDLZAESA-N 467.759 2.391 30 10 JEEE CC(C)(C)OC(=O)N1CCN(CC2CN(c3cccc(B4OC(C)(C)C(C)(C)O4)n3)C2)CC1 2281496074 AGTOCCTUSUBGLW-UHFFFAOYSA-N 458.412 2.370 30 10 JEEE C[C@H]1[C@@H](NC(=O)C(F)(F)F)[C@H](C)CCN1C(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1 2281799940 BWOJRJSRISZSPK-WWGRRREGSA-N 455.286 2.298 30 10 JEEE Cc1nn(C)c(C(=O)N[C@H]2CSCCN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2281984559 GFNXJEHDBIQMAC-OAHLLOKOSA-N 480.440 2.110 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1[C@@H](C)CN(C(=O)OC(C)(C)C)C[C@@H]1C 2282003904 FVYHJXVIFKTHFQ-GJZGRUSLSA-N 462.400 2.498 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@]2(COCCN2C(=O)C2(B3OC(C)(C)C(C)(C)O3)CC2)C1 2282040450 JLMMMJNWOLVWDU-QFIPXVFZSA-N 466.384 2.478 30 10 JEEE C[C@H]1CCCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)[C@H]1CNC(=O)OC(C)(C)C 2282626438 BOSXVVJDHRDNFY-RDJZCZTQSA-N 462.400 2.485 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](NS(=O)(=O)Cc2cccc(B3OC(C)(C)C(C)(C)O3)c2)CCO1 2282845600 WLXBCQHVPGAHFJ-GOSISDBHSA-N 482.408 2.346 30 10 JEEE CC(C)(C)OC(=O)N1CC2(CCC[C@H]2NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2283072874 VCJVSRJYDKOIQV-OAHLLOKOSA-N 458.368 2.295 30 10 JEEE CN(Cc1ccccc1B1OC(C)(C)C(C)(C)O1)C(=O)[C@H]1COC[C@H]1NC(=O)OC(C)(C)C 2284026010 AIZIWSOVGYQDLW-PKOBYXMFSA-N 460.380 2.484 30 10 JEEE CN1CCN(C(=O)OC(C)(C)C)C[C@H]1COc1cc(B2OC(C)(C)C(C)(C)O2)c(F)cn1 2345741375 OZSIHRWMPXSFPB-HNNXBMFYSA-N 451.348 2.450 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2CC[C@]2(CNC(=O)OC(C)(C)C)C1 2362460563 JSPYBPJIPNSSJS-CMJOXMDJSA-N 460.384 2.096 30 10 JEEE CC(C)(C)OC(=O)N(CCO)CCC(=O)N1CCc2ccc(B3OC(C)(C)C(C)(C)O3)cc21 2368588184 GBZILFQEHGWVOQ-UHFFFAOYSA-N 460.380 2.494 30 10 JEEE Nn1c(N/N=C/c2cc([N+](=O)[O-])ccc2O)nnc1SCC(=O)Nc1ccccc1Cl 20527361 PRTXGQFYKDTOEF-DNTJNYDQSA-N 462.879 2.436 30 10 JEEE C=CCc1cccc(/C=N/Nc2nnc(SCC(=O)NCc3ccc(F)cc3)n2N)c1O 20527558 RSUHGOIKEXMQST-BRJLIKDPSA-N 455.519 2.420 30 10 JEEE C=CCNC(=O)[C@@H](NC(=O)c1ccccc1)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 36214716 NXCVSNMXAYDWMM-QFIPXVFZSA-N 455.580 2.497 30 10 JEEE COc1ccc(CCNC(=O)CSc2n[nH]c(N/N=C/c3ccc(O)c(OC)c3)n2)cc1 58995231 NOASZNMGUIRETB-FSJBWODESA-N 456.528 2.425 30 10 JEEE CCC/C(C)=N/Nc1nc(SCC(=O)Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)n[nH]1 59890371 RIJUUDCDOKQJNX-HZHRSRAPSA-N 494.647 2.060 30 10 JEEE Cc1cn(-c2ccccc2)c(C)c1C=NNc1nc(N2CCOCC2)nc(N2CCOCC2)n1 254760216 WAOICBCOTNRDAO-UHFFFAOYSA-N 462.558 2.398 30 10 JEEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccc(OC(C)C)cc1 729672396 LVQWTSBNKLRWQF-UHFFFAOYSA-N 487.585 2.362 30 10 JEEE O=C(CCSc1n[nH]c(NN=Cc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1)NCc1ccco1 1084579830 YEAFBPVLDMJBDE-UHFFFAOYSA-N 460.432 2.459 30 10 JEEE C=CCC[C@H](CO)NC(=O)c1cc(Br)cn(CCNC(=O)OC(C)(C)C)c1=O 1140626487 GUZAUCOXAIJMNU-CQSZACIVSA-N 458.353 2.192 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H]3CN(c4ccc(Br)cc4)C3=O)cc2C1=O 1141754672 UZUTUHYGAYHPRG-QGZVFWFLSA-N 454.280 2.376 30 10 JEEE C=C(C)C[C@@H](NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1Br)C(=O)OCC 1194186819 LXPJHAYVINFELH-CYBMUJFWSA-N 454.364 2.029 30 10 JEEE C#CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1286340251 YAHYGIOGZIZNLH-XMSQKQJNSA-N 465.558 2.256 30 10 JEEE C#CCN(c1nnc([C@@H]2COc3ccccc3O2)n1C[C@](C)(O)[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1286392657 JDOKITPUCBNBRK-QNJCZANYSA-N 488.610 2.214 30 10 JEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1Cc1cc(C)no1)[C@H]1CCS(=O)(=O)C1 1286394636 WFYGNNASDAELMM-IBGZPJMESA-N 469.567 2.043 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H](C)Oc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1286398934 UDXQZTFKUUHPQN-IMFGXOCKSA-N 462.547 2.363 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCOCCN(C)C 1286430440 NKTNNEBVLRWKRU-NRFANRHFSA-N 472.634 2.434 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1286458466 VJGIIIPMEWDBFD-MAVBTGMRSA-N 478.528 2.477 30 10 JEEE C#CCN1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@H]2NC(=O)CC2(C)C)CC1 1286478816 CTHMVYRUZIKKJD-HXUWFJFHSA-N 499.660 2.063 30 10 JEEE C#CCN1CCN(c2nnc(CCCOc3ccc(Cl)cc3C)n2CC(=O)N(C)C)CC1 1286483592 QLRKACPJKOSGJB-UHFFFAOYSA-N 458.994 2.095 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCCN(C(C)=O)C1 1286517403 GSMLVJQIFMQMDO-NBGIEHNGSA-N 498.653 2.446 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C)c2nc(C(C)C)no2)CC1 1286606334 MRUKNZGMKHXCLY-ROUUACIJSA-N 472.594 2.212 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CCOC2)n1C[C@@H]1C[C@@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1286773201 JTNNMWKUXSUQKU-YSTOQKLRSA-N 477.606 2.445 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@@H](c2ccco2)C1 1286783811 MSBKLEZBTZBPFF-HXUWFJFHSA-N 453.499 2.435 30 10 JEEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@H](C(C)(C)C)C1 1286786921 LYCRFIWWJIOYRP-INIZCTEOSA-N 459.620 2.413 30 10 JEEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1286830016 IFRZBFMPUCTFFC-AWEZNQCLSA-N 460.526 2.043 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)N3CCCN(Cc4noc(C(C)(C)C)n4)CC3)cc2C1=O 1293744274 WZSHFKQTTUAFHG-UHFFFAOYSA-N 451.527 2.497 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1(C(N)=O)CCOCC1 1300329687 RQTKKVNBNBQUKE-IRXDYDNUSA-N 460.579 2.090 30 10 JEEE C#CCN(c1nnc([C@H](C)OCCOC)n1Cc1ccc2ncccc2c1)[C@@H]1CCS(=O)(=O)C1 1300484991 SUHFYYNIVPRMKK-GHTZIAJQSA-N 483.594 2.225 30 10 JEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1C[C@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1300499799 XDMXOJIYLXJKGF-WIYYLYMNSA-N 450.992 2.310 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1300570060 XIYYSKFCGCWGIR-VWLOTQADSA-N 484.622 2.383 30 10 JEEE C=CCCOCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(S(C)(=O)=O)CC1 1301245908 JJFIEANMXNGYPO-UHFFFAOYSA-N 462.572 2.322 30 10 JEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(N2CCCC2)cc1 1301458924 JYLFXNBLXXECGU-HXUWFJFHSA-N 460.604 2.034 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1301499731 DYYSYVTZJWTSJZ-FGTMMUONSA-N 460.579 2.125 30 10 JEEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H]1[C@H]1CCCO1 1301593307 LRLPKXITQHOVMD-DLBZAZTESA-N 479.628 2.018 30 10 JEEE COCC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](c2ccco2)N(C)C)CC1 1315752188 GDEGUDFTWBYJAF-NRFANRHFSA-N 477.569 2.444 30 10 JEEE C#CCCCn1c(Cc2ccccc2OC)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1358931627 HUQAJMSOULCVQK-FQEVSTJZSA-N 457.600 2.295 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1Cc1c(C)nn(C)c1C)[C@@H]1CCS(=O)(=O)C1 1358967475 LBIYUXQJIZKWKM-GOSISDBHSA-N 486.573 2.022 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCC[C@H]1OC 1359023431 KIVSCDIHXLFAAK-YLJYHZDGSA-N 450.543 2.093 30 10 JEEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1359062257 AVJSNROUDFSGLZ-DLBZAZTESA-N 451.593 2.226 30 10 JEEE C=C(Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOC)[C@@H](CC)C1)c1ccccc1 1359138915 HHLYRUPKWKNCEZ-VXKWHMMOSA-N 473.643 2.441 30 10 JEEE C=C(Cl)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1359148792 CHPXHGBVVBWWEK-AWEZNQCLSA-N 473.024 2.004 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1ccn(C)n1 1359282001 ORDQHGYMJWFQPK-LJQANCHMSA-N 475.594 2.202 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(Cc2csc(C)n2)CC1 1359296645 PQRGOZSXBIXWOX-UHFFFAOYSA-N 497.625 2.352 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@@H](C)[C@@H]1C 1359328226 XIKJLJUOMFPGPA-WBVHZDCISA-N 480.660 2.382 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 1359330198 KDGZVSAGZBRWSU-QGZVFWFLSA-N 478.619 2.330 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCCO[C@H](c2ccccc2)C1 1359331417 YJSJNDPNTZAYFC-FQEVSTJZSA-N 454.556 2.304 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1C[C@@H](C)Oc1ccc(F)cc1 1360534406 FSDQTIHEEDAMBW-CABCVRRESA-N 450.540 2.235 30 10 JEEE CC(=O)c1ccc(S(=O)(=O)CC(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)cc1F 1452690700 FHFBNUKGQBCXLC-UHFFFAOYSA-N 457.527 2.454 30 10 JEEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NC[C@@H]1CSCCN1Cc1ccccc1 1469772827 FPMRJNHXPIGOFV-UYAOXDASSA-N 451.600 2.186 30 10 JEEE CCN(CC)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCCC2)CC1 1501780121 FIBQPUZSZLGJQY-UHFFFAOYSA-N 465.602 2.112 30 10 JEEE CO[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1)C(C)C 1503974586 AYZRAOZDSYAMIB-OAQYLSRUSA-N 499.597 2.128 30 10 JEEE C#CCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1507580185 VKAYRRQNJWNQFC-UHFFFAOYSA-N 466.586 2.120 30 10 JEEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CC(C)C)C(=O)C1 1507588133 GGVLTSCBKKNBCU-LJQANCHMSA-N 474.606 2.305 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1Cc1ccccc1F)[C@H]1CCS(=O)(=O)C1 1507623733 WGVULFYWUXXRBY-SFHVURJKSA-N 461.563 2.011 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCn1cc(Cl)cn1)[C@@H]1CCS(=O)(=O)C1 1507624790 DIXHUSNXJOSIOI-GOSISDBHSA-N 489.945 2.030 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H](CC(C)C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1507628921 JBMVGOYQJMPECS-FGZHOGPDSA-N 468.627 2.420 30 10 JEEE C#CCN(c1nnc(C2CCCC2)n1CCCN1C[C@H](C)O[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1507632235 JZIMKTCFJQWNPU-SVFBPWRDSA-N 463.648 2.062 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H](C)Oc1ccccc1)[C@H]1CCS(=O)(=O)C1 1507634542 YWCXUVLHJPPZOW-AQNXPRMDSA-N 458.584 2.266 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CCOC)CCCCC1 1507671694 OHOOANXCQQUIJP-OAQYLSRUSA-N 491.658 2.061 30 10 JEEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCn1cc(Br)cn1 1507684465 BZHQSUBKFHQBDI-UHFFFAOYSA-N 467.335 2.040 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCc1cnn(C)n1 1507711151 OYNRNISTHQTELA-LJQANCHMSA-N 486.621 2.240 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@@]2(O)CCSC2)CC1 1507721835 UQORSNHIAPJXAN-DEOSSOPVSA-N 471.627 2.364 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2ccc(OC(F)(F)F)cc2)CC1 1507731613 NFCDDUAVOJIBKK-SFHVURJKSA-N 497.543 2.077 30 10 JEEE C=CCCOCCn1c(N2C[C@@H](C)OC3(CCOCC3)C2)nnc1[C@@]1(OCC)CCOC1 1507965707 IHMQIMIQYYZQDQ-AUSIDOKSSA-N 450.580 2.297 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1nccc(C(F)(F)F)n1 1508018834 IHZGGVDCBCCQSZ-AWEZNQCLSA-N 456.494 2.410 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1508135136 DSOYLXOBSVTSJY-IBGZPJMESA-N 482.610 2.447 30 10 JEEE CC(C)C(=O)NCCn1c(CC(C)(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1508819840 CIVABFXMRQPOSZ-KRWDZBQOSA-N 453.595 2.016 30 10 JEEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCSC2(CCOCC2)C1 1516807862 HWEPIQNYNZMQHB-UHFFFAOYSA-N 461.613 2.354 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2CC2(C)COC2)c1 1539040188 ODLUWJRVYVVOBY-RUZDIDTESA-N 467.570 2.411 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1cccc(NC(=O)OC)c1)[C@H]1CCS(=O)(=O)C1 1539224005 BLCILRMYEOQYRJ-NRFANRHFSA-N 494.577 2.117 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H]1CCOC[C@@H]1OC 1539315807 UZAIJLHHXBBXNQ-KNQAVFIVSA-N 474.565 2.189 30 10 JEEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(CN2CCC(O)CC2)cc1 1539345358 SZKAPQAQKJITOX-SANMLTNESA-N 467.614 2.395 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2CCCc2nc(C)no2)CC1 1539483136 SOMBCZBRQPRSDE-UHFFFAOYSA-N 477.569 2.168 30 10 JEEE C#CCSCCn1c([C@@H](C)OCCOC)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1539498151 QIKUTQAWUDLVRC-GOSISDBHSA-N 470.661 2.306 30 10 JEEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCn1cc(Br)cn1)C1CC1 1540110041 YFJAZUMCTRSFAD-CQSZACIVSA-N 469.409 2.384 30 10 JEEE C=CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@H](C(=O)OC)C1 1540912656 ACGVWQODSGWWNC-HNNXBMFYSA-N 454.556 2.111 30 10 JEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCS(=O)(=O)C[C@H]1C1CC1 1543629651 HBBWMROAABRIFK-HNNXBMFYSA-N 457.346 2.134 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccccn1 1555545634 GXBFWSVCFTWWBJ-NRFANRHFSA-N 480.594 2.343 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CCOC[C@H]2OC)c1 1587697262 LPVDSZWZPGSGPA-FYYLOGMGSA-N 491.596 2.247 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ccccc1OC(F)F)[C@H]1CCS(=O)(=O)C1 1588049908 NEJVWLYXWKKXJF-INIZCTEOSA-N 474.493 2.012 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1588059545 QAXGUCWEYYZCLG-OAQYLSRUSA-N 470.574 2.230 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@](C)(O)CCOC 1588133234 BDUXDNKFSXNAES-YADARESESA-N 459.591 2.253 30 10 JEEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1nc(C(F)(F)F)cs1 1588266073 LIKFRESQSVNSIS-NSHDSACASA-N 450.512 2.066 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2CC[C@@H]2CCO[C@@H](C)C2)CC1 1588885287 URRLTEOWQAEJIM-RBUKOAKNSA-N 472.634 2.368 30 10 JEEE C=C(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1589731860 XZGNQBGHAWYJEM-UHFFFAOYSA-N 466.502 2.487 30 10 JEEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1595335576 VWJZWEDSQRZYJG-JOCHJYFZSA-N 461.588 2.156 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1595476157 IMWYELUSVUROSJ-FCEWJHQRSA-N 472.977 2.336 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CCC(CC(=O)NC)CC1 1595496674 CYDULGPHWDJSRV-UHFFFAOYSA-N 475.391 2.362 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 1595796610 AQXDLCFWTKQHOH-GOSISDBHSA-N 483.635 2.124 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1595812135 OBNTUKDWCPHJFB-RTWAWAEBSA-N 465.664 2.159 30 10 JEEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1 1595831528 RLTDQRZDCTVVJG-ROUUACIJSA-N 483.635 2.251 30 10 JEEE CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](CC(C)C)N(C)C)CCO1 1596641075 CDURBQCNRYXOBT-FGZHOGPDSA-N 453.591 2.134 30 10 JEEE CC(C)OC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)CC1 1610972473 FAAHYUTYKUIKPF-UHFFFAOYSA-N 476.603 2.014 30 10 JEEE N#Cc1ccccc1Oc1ccc(NC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)cc1F 1620500408 DIWSHTXPULKCKK-DOTOQJQBSA-N 457.483 2.464 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1629918817 LGSKMNMGPVMKLH-YRPNKDGESA-N 462.591 2.362 30 10 JEEE CCOC(=O)c1cc2n(n1)C[C@@H](C)N(S(=O)(=O)c1cc(Br)cc(C#N)c1)C2 1665589755 BGMDPJFBYSVKNZ-LLVKDONJSA-N 453.318 2.287 30 10 JEEE CC(C)(C)OC(=O)N1CCN([C@H]2CCCN(C(=O)NCCc3ccc(C#N)cc3)C2)C(=O)C1 1683818273 BNUFOAMLVJSHHJ-FQEVSTJZSA-N 455.559 2.354 30 10 JEEE C#CCN1CCC[C@H](NC(=O)N2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)C1 1685264939 WPTKEYGSSRZFGP-HNNXBMFYSA-N 459.399 2.107 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1689863026 LMPQWRVCHAVIQT-UZUQRXQVSA-N 460.600 2.162 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1ccccc1CC)[C@H]1CCS(=O)(=O)C1 1689996578 KHLKJDWRFASXFH-QFIPXVFZSA-N 466.611 2.377 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCCOC1CCCC1)[C@@H]1CCS(=O)(=O)C1 1689996962 SFMQKPHJXSOYAX-HXUWFJFHSA-N 474.631 2.116 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC)n2C[C@H](c2ccc(C)cc2)N2CCOCC2)CC1 1690148652 OAAXQRRBLYZWEC-HSZRJFAPSA-N 464.614 2.188 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2CCC2(O)CCC2)CC1 1690150354 DQNOBCDBSTXZMI-UHFFFAOYSA-N 451.571 2.171 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2CC2([S@@](C)=O)CCC2)CC1 1690150817 WNSPUNLOVDRBQY-WJOKGBTCSA-N 459.641 2.197 30 10 JEEE C=C(C)COCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@@H](NC(=O)CC)C1 1690310092 TXUIEMMQMNVLDV-GOSISDBHSA-N 479.585 2.280 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H](C)N2CCN(CC)CC2)C1 1690709345 FXJJQXHTSAELRM-RXVVDRJESA-N 459.664 2.441 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCN(c2ncccc2C#N)CC1 1690719551 PBGOLVKLIJBFPH-UHFFFAOYSA-N 467.555 2.041 30 10 JEEE C[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1)N(C)C(=O)OC(C)(C)C 1692719602 BPRANJNYPDSZGU-RDJZCZTQSA-N 466.608 2.176 30 10 JEEE CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCOC2=O)CCN1CCOC 1694929943 DGFDHXZUBJYMSZ-OAQYLSRUSA-N 467.574 2.206 30 10 JEEE CCS(=O)(=O)NCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@@](C)(C#N)C1 1696501524 DGRBOWKWRRSWIY-NRFANRHFSA-N 462.576 2.032 30 10 JEEE CN(C)C(=O)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1696582325 FCCZLLUKBRTZNB-RUZDIDTESA-N 492.584 2.083 30 10 JEEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@](C)(O)c2cccs2)CCN1S(C)(=O)=O 1698453538 ADUJRJHHUSNWED-AOMKIAJQSA-N 486.623 2.256 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCn1cc([C@@H]2CCOC2)cn1 1705482206 UVXVGDYEQCPIHG-PKOBYXMFSA-N 468.583 2.207 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CC[C@H](C(F)F)N1CCOCC1 1705497963 KYFJHOBFNIIQMJ-IEBWSBKVSA-N 457.529 2.331 30 10 JEEE C#CCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(C(=O)NCCCOC)CC1 1705528628 MXBXUFNJGACECK-UHFFFAOYSA-N 453.543 2.456 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1CCCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1705570564 OOSIYCKBZGHBPC-FQEVSTJZSA-N 470.574 2.230 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@](C)(O)c1cc(C)oc1C 1705626872 LXLOMEXABRSCAN-SANMLTNESA-N 490.564 2.396 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1705700631 WOEVGQUMNBZTRV-HBMCJLEFSA-N 493.674 2.245 30 10 JEEE C=C(Cl)Cn1c(N2CCC[C@@H](N3CCCS3(=O)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1705760963 WPRVOHGOZRNJEE-YLJYHZDGSA-N 474.027 2.076 30 10 JEEE C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2nc(C)cc(OCC)n2)CC1 1705806568 HOARRHKQQGCOPX-GOSISDBHSA-N 454.579 2.409 30 10 JEEE C=CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1705808799 VPUBAGMQQIRSRG-SFHVURJKSA-N 452.567 2.028 30 10 JEEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(Cc2cc(C)on2)CC1 1705890951 RIBYFARIMYYOKC-LJQANCHMSA-N 473.578 2.391 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1705935056 FPNUDPCOSKWMCX-ZBFHGGJFSA-N 459.494 2.021 30 10 JEEE Cc1nc(CCn2c(-c3cccc(C#N)c3)nnc2N(C)CC(=O)N2CCOCC2)sc1C 1706990997 GYLKDILUKVLUJS-UHFFFAOYSA-N 465.583 2.428 30 10 JEEE Cc1cnc([C@H](C)Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@@](C)(C#N)C2)s1 1707711020 BHOUODVGEALOER-CEQIKUNHSA-N 493.659 2.310 30 10 JEEE Cc1nn(C)c(C)c1CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)N(C)C)CC1 1707803105 HYGAQKLAXNXIMY-GOSISDBHSA-N 461.618 2.439 30 10 JEEE CNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(OC)nc2)CC1 1711355473 CVWIXHJSZVWFPY-UHFFFAOYSA-N 461.526 2.143 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C)[C@H]1CCS(=O)(=O)C1 1722370183 AEFSHBVDZWQLHE-OALUTQOASA-N 479.647 2.407 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1Cc1ccc(N(CC)CC)nc1)[C@H]1CCS(=O)(=O)C1 1722372025 OEBLBYRRQBIBBM-FQEVSTJZSA-N 456.616 2.147 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(C)c(Br)c2)n1CCNC(=O)c1cc[nH]n1 1722375708 ONNMXCZRFAYOLX-UHFFFAOYSA-N 466.343 2.242 30 10 JEEE C#CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CCC2(CC1)CNC(=O)C2 1722466024 WYYRRWGQWLUISG-UHFFFAOYSA-N 455.584 2.339 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1722508795 UMTGDBRVCQGJLN-PXCRPINLSA-N 471.606 2.027 30 10 JEEE C=C(C)COCCn1c(N2CCO[C@H](c3cnn(C)c3)C2)nnc1[C@]1(OC(C)C)CCOC1 1722538653 SFHOZUVRPSFYDS-REWPJTCUSA-N 460.579 2.223 30 10 JEEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2ncc(-c3ccccc3)o2)CC1 1722682823 LMEFVSFJEFMHQU-QGZVFWFLSA-N 471.587 2.052 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@]2(O)CCN(C)C2)C1 1722722958 SYTFDNDJUXRFAN-IMWIBFENSA-N 476.622 2.198 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H]1c1ccc(OC)cc1OC 1722727757 QNHVFPFOAZMZBC-OALUTQOASA-N 489.598 2.189 30 10 JEEE Cc1nn(C)c(N2CCN(c3nnc(C(C)(C)C)n3CCNC(=O)OC(C)(C)C)CC2)c1C#N 1725861347 HLYYZKGOZUADDA-UHFFFAOYSA-N 471.610 2.341 30 10 JEEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN(C)CC(F)(F)F)CC1 1730785085 CYQRLXBBIJMEQS-UHFFFAOYSA-N 451.497 2.079 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CCN1CCCCCC1)[C@@H]1CCS(=O)(=O)C1 1740628683 SNKAACNTTUSJCZ-JOCHJYFZSA-N 496.637 2.231 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCC(F)(F)C2)n1 1740688096 AEALYQBHCHISGD-WMZOPIPTSA-N 461.517 2.147 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2Cc2cccc(C(=O)N[C@@H](C)CC)c2)CC1 1740700462 AIOFSZINDZUQDU-SIKLNZKXSA-N 450.587 2.461 30 10 JEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 1740709740 QTDRDQYDWUKKLE-AEFFLSMTSA-N 493.630 2.493 30 10 JEEE C=C(C)COCCn1c(-c2ccc(Br)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1740787352 BIYVBSBZJSWFRA-QGZVFWFLSA-N 464.364 2.252 30 10 JEEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1740822747 OMYBKYBJBUCBQR-GJZGRUSLSA-N 478.015 2.208 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](c2ccccc2)N(C)C)CC1 1740825938 VJDGBWUGHFMXIB-RTWAWAEBSA-N 474.631 2.070 30 10 JEEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(F)(F)F)CC1 1740843528 KDXRRVFZFQBPIK-AWEZNQCLSA-N 452.547 2.175 30 10 JEEE C=CCCOCCn1c(Cc2ccccn2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1740887000 ZOVYJFVRILZYNF-LJQANCHMSA-N 459.558 2.233 30 10 JEEE C=CCNC(=O)Cn1c(COCC)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](CC)C1 1740965015 YQDRANVINIBYAA-DLBZAZTESA-N 450.584 2.246 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2CCC(=O)N2CCOCC2)C1 1740982085 SLFSQUUAASSMMY-KRWDZBQOSA-N 461.513 2.177 30 10 JEEE CCc1nc(C)c(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCO[C@@H](COC)C2)o1 1744456274 ALTUCJPNVLPNRL-LJQANCHMSA-N 452.515 2.488 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1cccnc1OCCOC 1748672683 WRNREYAQEIRUFB-IBGZPJMESA-N 476.585 2.379 30 10 JEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(=O)c2ccc(C)s2)CC1 1748732340 YNOKFGPWCCDJDV-MRXNPFEDSA-N 478.644 2.070 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCN1CCC[C@H]1C 1748868674 DEYYLGYZXIFTCL-LJQANCHMSA-N 467.643 2.494 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCCc2cccc(F)c2)CC1 1749001191 LEBKCWCYMKPEMR-UHFFFAOYSA-N 466.561 2.252 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1749663951 BZMDJNOSYQSHSG-HNNXBMFYSA-N 450.465 2.061 30 10 JEEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1749677877 NIVOUQRHGMIBTR-MRXNPFEDSA-N 460.604 2.356 30 10 JEEE Cc1cccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@](C)(C#N)C2)c1 1751636681 CTHPGAYQYMUJDK-DENIHFKCSA-N 458.588 2.098 30 10 JEEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1760146186 FQJZKCDDWNFIOE-MRXNPFEDSA-N 464.389 2.086 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H]2CCC[C@H]2OC)CC1 1760261485 MMYYTMNSOPNHAX-QHAWAJNXSA-N 488.633 2.157 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(C(F)F)c2)CC1 1760265260 UUHNPLAZLYICGZ-UHFFFAOYSA-N 470.524 2.466 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@]2(O)CCOC2)CC1 1760266014 OCRZBMSBZUKCNC-BXKMTCNYSA-N 487.988 2.189 30 10 JEEE C#CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(CCOC)[C@@H](C)C1 1760281236 LXFLVECKBXLARJ-GHTZIAJQSA-N 457.600 2.314 30 10 JEEE C=CC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1760404631 DPCZHWNDKOEKHZ-FQEVSTJZSA-N 470.599 2.413 30 10 JEEE C=CCN(C)c1nnc(COc2ccc(C)c(C)c2)n1CCS(=O)(=O)N1CCSCC1 1760466936 NTWWDYTUENLPBE-UHFFFAOYSA-N 465.645 2.475 30 10 JEEE C=CCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 1760509376 ACMPIDHANQVNQA-HNNXBMFYSA-N 489.627 2.269 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1760517944 CSEVHYZROPKGOL-GOSISDBHSA-N 470.574 2.006 30 10 JEEE C=CCOc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCN(CC)[C@H](C)C2)cc1 1760530122 PXFOODLKXULBKT-QUCCMNQESA-N 459.616 2.324 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1760552402 MJNDESAQIUDYOD-IERDGZPVSA-N 450.536 2.069 30 10 JEEE CC(=O)N1CCC(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCNC(=O)C(C)C)CC1 1760585959 HTKYPOUYULVMTN-UHFFFAOYSA-N 451.575 2.284 30 10 JEEE CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](OC)C2CC2)CC1 1766648166 IARXEGDOUBUWEQ-JOCHJYFZSA-N 465.602 2.232 30 10 JEEE C=CCNC(=O)[C@@H](Cc1ccc(OC(C)=O)cc1)NC(=O)/C=C/c1ccc(C(=O)OC)cc1 1861762864 SYEHLCZAMUXTPC-UBLKFNIESA-N 450.491 2.441 30 10 JEEE N#Cc1nnn(-c2cccc(F)c2)c1NC(=O)CCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1870155523 RAXHLAULRUZPOC-UHFFFAOYSA-N 463.385 2.201 30 10 JEEE CCN(CC)c1ccc(-n2nnc(C#N)c2NC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc1 1870155634 XJZKHQHFAYFWJZ-UHFFFAOYSA-N 488.464 2.128 30 10 JEEE C=CCn1cc(OCc2ccc(C(=O)OC)o2)c(=O)cc1CN1CCN(C(=O)OCC)CC1 1870557704 COHRQCBHPOPGNH-UHFFFAOYSA-N 459.499 2.267 30 10 JEEE C=CCn1cc(OCC(=O)Nc2ccccc2CC)c(=O)cc1CN1CCN(C(C)=O)CC1 1870748325 CZHGTHAYXYWWTD-UHFFFAOYSA-N 452.555 2.278 30 10 JEEE COc1ccc(OC)c(-c2ccc(=O)n(CC(=O)NCC#CCOc3ccccc3OC)n2)c1 1891823433 MVRKMBPCWXSACX-UHFFFAOYSA-N 463.490 2.135 30 10 JEEE N#C[C@@H]1CN(S(=O)(=O)c2ccc(NN)c(Br)c2)CCN1Cc1ccccc1 2240935560 XNXPEXQTCMPBAE-OAHLLOKOSA-N 450.362 2.133 30 10 JEEE C[C@H]1COC[C@@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)s2)N1C(=O)OC(C)(C)C 2256628104 DWJKEMNIBHJCON-STQMWFEESA-N 453.370 2.405 30 10 JEEE CC[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2256668716 FFGDCHAYQZANSU-CHWSQXEVSA-N 452.386 2.233 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H](CO)C(=O)Nc1nc(B2OC(C)(C)C(C)(C)O2)ccc1Cl 2256669454 PLRKRBDMGUPJLZ-LBPRGKRZSA-N 455.748 2.106 30 10 JEEE CC(C)(C)OC(=O)NC1(CNC(=O)c2cccc(F)c2B2OC(C)(C)C(C)(C)O2)COC1 2266980847 CKXWQRNDLFNOSZ-UHFFFAOYSA-N 450.316 2.148 30 10 JEEE CN([C@@H]1CC[C@H]1OCc1ccccc1)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2267377901 IEWRYXJXLNKPSW-RTBURBONSA-N 461.393 2.088 30 10 JEEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@]23C[C@@H]2CN(Cc2ccccc2)C3)OC1(C)C 2267469218 RSZJMTGTQRELSJ-VGSWGCGISA-N 475.445 2.136 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](CNC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)CO1 2267489178 VJXRUQNDSTUJNW-ZIAGYGMSSA-N 467.397 2.102 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H]1CNS(=O)(=O)c1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2267708032 CBEOTXQABDOGKL-OAHLLOKOSA-N 470.372 2.413 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)OC(C)(C)C)s1 2268646677 KTCDBLHTUQIMLG-ZBFHGGJFSA-N 466.409 2.342 30 10 JEEE CCc1nn(C)c(C(=O)N[C@H]2C=CCN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2281976422 BFLLRNHRZQYCON-HNNXBMFYSA-N 460.384 2.187 30 10 JEEE Cn1cc(C(=O)NC[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2282041593 YXDAGUDYQNQWGW-UXLLHSPISA-N 460.384 2.095 30 10 JEEE C[C@H]1[C@H](NC(=O)C(F)(F)F)[C@H](C)CCN1C(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2282180569 VDHJYPRQZHGYSP-VNHYZAJKSA-N 455.286 2.298 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1CCCCN1S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282350174 JRAOVXQBEJWFAB-QGZVFWFLSA-N 481.424 2.449 30 10 JEEE CO[C@@H]1CN(C(=O)c2ccc(F)cc2B2OC(C)(C)C(C)(C)O2)C[C@H]1NC(=O)OC(C)(C)C 2282410934 YPSRQZUXFFWJMA-QZTJIDSGSA-N 464.343 2.489 30 10 JEEE C[C@@H]1CN(S(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)[C@H](C)CN1Cc1ccccc1 2282490197 JAJLTRIQTLTWJK-QZTJIDSGSA-N 474.436 2.003 30 10 JEEE C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)C1 2282578235 OXZSWWVOQYCVFM-CVEARBPZSA-N 462.400 2.485 30 10 JEEE Cc1c(C(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282596906 DLIREFRSBVRWDK-ZBFHGGJFSA-N 462.400 2.261 30 10 JEEE Cn1nc(C(=O)N2CC[C@]3(CCN(Cc4ccccc4)C3)C2)cc1B1OC(C)(C)C(C)(C)O1 2282615800 SDTSRPIXGUDVMT-VWLOTQADSA-N 450.392 2.458 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2[C@@H]1NC(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2282650088 IFLILIIQBVQHHM-AITUJVMLSA-N 458.364 2.396 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C2(CCC2)C1 2282700974 UMKICEBRCRKHCJ-MRXNPFEDSA-N 458.368 2.295 30 10 JEEE Cc1cc(C(=O)N[C@@]2(C(=O)O)CCN(Cc3ccccc3)C2)oc1B1OC(C)(C)C(C)(C)O1 2284435769 SJDKMKPQZLMVGB-DEOSSOPVSA-N 454.332 2.346 30 10 JEEE COC(=O)c1[nH]c(C)c(C(O)=C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(OC)cc2)c1C 2296135901 HPWCNTFPVCHQDS-JOCHJYFZSA-N 497.548 2.181 30 10 JEEE CN1C(=O)[C@@]2(C(=C(O)c3cc4ccccc4o3)C(=O)C(=O)N2CCN2CCOCC2)c2ccccc21 2297745551 NRRFLEBPJNSZAR-MHZLTWQESA-N 487.512 2.317 30 10 JEEE CO[C@@H](CNC(=O)OC(C)(C)C)CNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2339878665 NINCQXGOMQDNQA-HNNXBMFYSA-N 490.453 2.006 30 10 JEEE CC(C)[C@@H]1[C@H](NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)CCN1C(=O)OC(C)(C)C 2362325663 HLCLHRLOKGOLGI-HZPDHXFCSA-N 462.400 2.483 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@]23CCN(C(=O)OC(C)(C)C)C[C@@H]2C3)n1C 2362339890 LOHOYHSQKAUQFP-WNSKOXEYSA-N 460.384 2.157 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccco1 2362349156 DYVRGCQHAXZFJW-AWEZNQCLSA-N 460.340 2.308 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@]2(C[C@H](NC(=O)c3cnsc3B3OC(C)(C)C(C)(C)O3)CO2)C1 2362576831 OCQJDJWIRJSYKY-FPTDNZKUSA-N 479.408 2.341 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)N3CCCc4cc(S(=O)(=O)N(C)C)ccc43)cc2C1=O 15202661 SBCICMRELOHDFT-UHFFFAOYSA-N 453.520 2.312 30 10 JEEE CCOc1ccc(/C=C/C(=O)[C@@H]2C[C@@H](NC(=O)CN3C(=O)c4ccccc4C3=O)CCN2)cc1 585824523 SQDOYNVERGJHRM-JXEILBHSSA-N 461.518 2.201 30 10 JEEE C#CCNS(=O)(=O)c1cccc(C(=O)O[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)c1 857836001 DWFDDSOJPRXOHU-ZDUSSCGKSA-N 457.533 2.204 30 10 JEEE COc1ccc(CNC(=O)CCSc2nnc(NN=Cc3cnn(C(C)C)c3)n2N)cc1 1084181405 SEPKGXAGUSEVIY-UHFFFAOYSA-N 457.564 2.023 30 10 JEEE COc1ccc(CCNC(=O)CSc2n[nH]c(NN=Cc3cc([N+](=O)[O-])ccc3O)n2)cc1 1084282633 JCQWOQCHMBCZJD-UHFFFAOYSA-N 471.499 2.324 30 10 JEEE COc1ccc(CNC(=O)CSc2nnc(NN=C(C)c3ccc(OC)cc3)n2N)cc1 1084386942 ILQDDGGTISNZDU-UHFFFAOYSA-N 455.544 2.254 30 10 JEEE CCN(CC)c1ccc(C=NNc2nnc(SCC(=O)NCc3ccccc3)n2N)c(O)c1 1084563981 MVURZLIXBBNJPY-UHFFFAOYSA-N 468.587 2.398 30 10 JEEE C#CCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1286339744 OXEQEXZVERREQB-MRXNPFEDSA-N 470.484 2.492 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@H]1CCSC1(C)C)[C@@H]1CCS(=O)(=O)C1 1286391308 HBSQIJOGEYLXGZ-RTBURBONSA-N 459.641 2.422 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc3ccccc3n2)n1CCN/C(O)=C1/N=CC=CC1=O 1286404204 QTGJCEMKFSULTG-GYHWCHFESA-N 451.490 2.093 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCO[C@@H](C)C1 1286410516 UMOJPRWAMZCWLR-UFYCRDLUSA-N 457.575 2.474 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 1286458635 AGNSRCSMEZDAQB-QHCPKHFHSA-N 463.586 2.056 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2Cc2nnc(CC)s2)CC1 1286489304 NPXZZQQFTUIOHH-UHFFFAOYSA-N 495.609 2.390 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cn(C)c4ccccc34)n2CCCNS(C)(=O)=O)C1 1286805860 XHTWNZXUBVLRKV-KRWDZBQOSA-N 458.588 2.157 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1286818606 KXDLIZIRDQJLAP-INIZCTEOSA-N 477.612 2.041 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCN(C)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1300506631 WSVPIQFSHDSBIK-NHCUHLMSSA-N 463.648 2.411 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(C)(C)CN1CCCC1 1300511018 CYBWOASZDJHIFC-UHFFFAOYSA-N 482.654 2.390 30 10 JEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1CCCN1CC 1300512450 JTXJQNONWSSEHI-LJQANCHMSA-N 453.616 2.104 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(C(=O)N(C)C)CCCC1 1300515961 FJDYEJCELKHYQL-UHFFFAOYSA-N 467.595 2.070 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H](CCC)OC)CC1 1300699940 KAVWNRYHFPUDIH-VQTJNVASSA-N 476.622 2.157 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1300718589 UGKCJYSLYMSQTJ-GYCJOSAFSA-N 487.988 2.113 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](OC)C2CC2)CC1 1300731477 QEXFYSSKHQEDQO-QFIPXVFZSA-N 462.554 2.120 30 10 JEEE C=C(Br)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1300833851 DGAURVLDLKBFLZ-CQSZACIVSA-N 469.361 2.248 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](COc2ccccc2)C1 1300952229 OJOWUSVSXFOXCI-QUCCMNQESA-N 461.588 2.092 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 1300952310 QHUPCBJLSAXYCT-ICSRJNTNSA-N 491.589 2.426 30 10 JEEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)Cc2ccccc2C)CC1 1301237006 MATPPSRMZQXTMS-UHFFFAOYSA-N 480.613 2.307 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC(Oc2ncccc2F)CC1 1301506741 QPHUMKRADLGCHK-UHFFFAOYSA-N 451.506 2.148 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1301576174 APQYNYCUQWTYKV-UTKZUKDTSA-N 450.561 2.222 30 10 JEEE CC(C)[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(C#N)c1)N1CCOCC1 1302522318 DYODSOFCCYAHMO-FGZHOGPDSA-N 486.642 2.045 30 10 JEEE CC(C)COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCOC[C@@H]2C)CC1 1303212222 BKMXQFHLPODNCE-FQEVSTJZSA-N 481.601 2.452 30 10 JEEE CS(=O)(=O)N(CC(F)(F)F)C1CCN(S(=O)(=O)c2cccc(Cl)c2C#N)CC1 1309192893 CICIVRUZNCSSSR-UHFFFAOYSA-N 459.899 2.189 30 10 JEEE COCC[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1315991577 AKBSSHXNFQNYPW-UYAOXDASSA-N 458.588 2.104 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCC(C(F)(F)F)CC1 1358889864 HWWLXCGLWUCNRZ-VXLLPVPCSA-N 477.553 2.438 30 10 JEEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(NC(C)=O)CC1 1358906523 KAERAJUGQGRFCB-UHFFFAOYSA-N 472.615 2.104 30 10 JEEE C#CCCCn1c(COc2ccccc2OC)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1358935006 SQDIQENUPDIYIJ-XMMPIXPASA-N 466.542 2.094 30 10 JEEE C#CCN(c1nnc([C@@H](C)CC)n1CCNC(=O)c1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1358957660 YAWSJZNCBRDIMW-AZUAARDMSA-N 457.600 2.157 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@](C)(O)[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1358958976 ZIILKSPNYPHEAP-PERKRYKHSA-N 475.571 2.277 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC1(O)CCS(=O)(=O)CC1 1358969106 HBQYHWSZHXHUQD-QGZVFWFLSA-N 476.986 2.084 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC(=O)Nc1cccc(Cl)c1C 1358978936 YPJIJSYJJQJOEE-KRWDZBQOSA-N 473.986 2.244 30 10 JEEE C=C(C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1359118675 VYFAEYFFDJIVIO-UHFFFAOYSA-N 454.575 2.283 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(NC(=O)N(C)C)cc2)CC1 1359165648 TXRYIRGCJHMZFZ-GOSISDBHSA-N 458.588 2.478 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCS(=O)(=O)N(C)C 1359271166 MZYKJCILNVFCIG-SFHVURJKSA-N 482.651 2.462 30 10 JEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1359287756 UJKUQGHNUPWLKS-IBGZPJMESA-N 480.573 2.366 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[C@](C)(N2CCOCC2)C1 1359293110 HNRQUFANFGZXJJ-KOSHJBKYSA-N 472.565 2.160 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCCN(c2ccc(OC)cc2)CC1 1359302669 POAACYNKAIGGLJ-UHFFFAOYSA-N 461.570 2.291 30 10 JEEE COc1ccc(NC(=O)[C@H]2CSCN2C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)cc1 1360002071 GLDBZKNFHNBONY-OXQOHEQNSA-N 450.520 2.460 30 10 JEEE C[C@H](CC#N)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC[S@@](=O)C(C)(C)C 1360474106 HMBBHJDJIWXLOI-IBADJEFMSA-N 455.588 2.478 30 10 JEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2nn3c(c2Br)CCC3)c1 1434894065 JSEFVQZYAYHKSU-UHFFFAOYSA-N 457.328 2.079 30 10 JEEE C=C(C)CN1CCC(NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c2ccc(Cl)cc2)CC1 1443522867 WSYFGFKEOLFEMA-IBGZPJMESA-N 456.008 2.030 30 10 JEEE N#Cc1ccc(-c2ccc(Cl)s2)n(CC(=O)NCc2ccc(OCC(N)=O)cc2)c1=O 1473049493 AVVQTMGYMALAIF-UHFFFAOYSA-N 456.911 2.282 30 10 JEEE CN(c1nnc(-c2cccc(C#N)c2)n1CCCS(C)(=O)=O)[C@H]1CCCN(c2cccnn2)C1 1503413597 BUGRZJLWSALNBN-FQEVSTJZSA-N 480.598 2.147 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2CC2(O)CC(OCC)C2)c1 1507549574 HVYQDXPUKGUVQP-UHFFFAOYSA-N 462.554 2.270 30 10 JEEE C#CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCCOC)[C@@H]1CCS(=O)(=O)C1 1507638909 TZVIWWCBMOAFPD-CEXWTWQISA-N 495.646 2.102 30 10 JEEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1C[C@H](C)COC)[C@@H]1CCS(=O)(=O)C1 1507640133 PSJHYOWWRQXWAB-VQTJNVASSA-N 460.600 2.383 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1ncccc1N(C)C 1507711040 YUSODOMXCQWRHM-UHFFFAOYSA-N 486.580 2.270 30 10 JEEE C=C(C)COCCn1c(CC(C)C)nnc1N1C[C@@H]2[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1507845258 CJXUMIZYBLLNTQ-CEXWTWQISA-N 497.662 2.196 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1508090649 IELASJNHBZSYKL-LJQANCHMSA-N 481.601 2.147 30 10 JEEE C=CCOc1ccccc1Cn1c(CC(C)C)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1508105785 TWRHJZMJEUJWHH-UHFFFAOYSA-N 482.629 2.071 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2ccc(N(C)C)cc2)C1 1508123341 HRLOZWWUIACZEU-PZJWPPBQSA-N 459.616 2.270 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H](C)[C@H]1C 1508134646 HECMSPYFFFNXTG-JKSUJKDBSA-N 452.602 2.184 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCCN(c2nccs2)CC1 1508145226 YIMJGQPOFQUIRG-UHFFFAOYSA-N 473.628 2.038 30 10 JEEE CN(C)C(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(c2nccs2)CC1 1516961976 GCNDUYZIJZZDCI-UHFFFAOYSA-N 450.572 2.468 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H](OC)c1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 1539200821 PDLZJRKWYVPDFN-RTBURBONSA-N 494.017 2.084 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCn1cc(C)cn1 1539326405 VJJRIIDIBUERBU-HXUWFJFHSA-N 467.574 2.255 30 10 JEEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC[C@@H](C(F)F)N1CCOCC1 1539362458 BPFDLLNVXAVLBS-SFHVURJKSA-N 495.600 2.054 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H]2CCC=CO2)CC1 1539427743 IOJONUBTDAALIY-HXUWFJFHSA-N 454.962 2.309 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCN2CCCC2)CC1 1539447367 QZCRIQIHPJJAOH-OAQYLSRUSA-N 471.650 2.244 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC2(O)CC(OCC)C2)CC1 1539468452 FXPBUYWKSLVZGP-NDGXPZJMSA-N 499.587 2.453 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3noc4c3COCC4)n2CCCOCC(C)C)CC1 1539477641 UEVCQFDYPVSALX-UHFFFAOYSA-N 470.574 2.034 30 10 JEEE C=C(C)COCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1539736303 VUTKUGWRLIIHHW-GOSISDBHSA-N 484.557 2.028 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nc(C(C)C)cs1 1540169523 FYYRLBYISVPEQY-QGZVFWFLSA-N 466.633 2.418 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N(C)C[C@@H](c1cccs1)N1CCOCC1 1540876763 ZYWDUAODZKKYSQ-ZWKOTPCHSA-N 460.604 2.003 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCOC[C@@H]1C 1540902583 MJSAUJQXRLFTSU-KRWDZBQOSA-N 483.635 2.219 30 10 JEEE CC(=O)N1CCN([C@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCCOC(F)F)C[C@@H]2C)CC1 1541000915 HZEUPEYEFDZUDC-UWJYYQICSA-N 487.555 2.435 30 10 JEEE CC(C)CCOc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCC(=O)N2CCOCC2)cc1 1541524961 BPGPFRJKLFWCCW-JOCHJYFZSA-N 482.585 2.348 30 10 JEEE CN(C)C(=O)[C@@H]1CC2(CCN(S(C)(=O)=O)CC2)CN1c1ccc(C#N)c(C(F)(F)F)c1 1548381916 METICGBXHUIPIR-KRWDZBQOSA-N 458.506 2.286 30 10 JEEE COC[C@H]1CN(C(=O)Cn2c(C)cc(C)nc2=O)CCN1c1ccc(C#N)c(C(F)(F)F)c1 1548402383 HATIHXORORWUSZ-GOSISDBHSA-N 463.460 2.114 30 10 JEEE CNC(=O)C(C)(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(CC#N)CC1 1554373721 ACBOAYKJBDHBGO-UHFFFAOYSA-N 465.606 2.354 30 10 JEEE CO[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2C[C@H](C)O[C@@H](C)C2)C1 1555784507 DJQMKAVGIKZUGQ-IPJJNNNSSA-N 454.575 2.453 30 10 JEEE CCNC(=O)c1cccc(NC(=O)CN2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)c1 1559977869 GZDDKDKFEKSRRD-UHFFFAOYSA-N 457.538 2.459 30 10 JEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CCN(c3ccccc3OC)C2=O)cc1 1562197594 PEOHSSKVMKWKLH-SFHVURJKSA-N 458.540 2.429 30 10 JEEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(CC(F)(F)F)CC1 1587847648 PKEVRYGOMCIAOL-UHFFFAOYSA-N 469.537 2.336 30 10 JEEE C#CCCCn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1587889243 WMJHEOCEOSMMTC-OAQYLSRUSA-N 454.550 2.152 30 10 JEEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1C[C@@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1587922245 WSEANKJVERDDSB-MIOZMULLSA-N 489.617 2.413 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(OC)c2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1588595232 QDNHBNVRPKBHGE-LJQANCHMSA-N 467.492 2.303 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2cc(C)cc(OC)c2)CC1 1588751486 LBZKNOJVMAGQOU-RUZDIDTESA-N 453.587 2.439 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc(OC)cc2F)CC1 1588891905 VAMLASVQZCJRHL-SANMLTNESA-N 499.587 2.481 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2ccc(Cl)nc2C1 1589492683 CNIAFEBQYNICMB-ALKREAHSSA-N 481.022 2.481 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1589559964 VXYUWADTYLTMIV-AVRDEDQJSA-N 474.631 2.105 30 10 JEEE C=C1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@H]2CCC[C@H]2N2CCCS2(=O)=O)CC1 1594015219 YWBIWULMEIYNMX-SLFFLAALSA-N 467.636 2.363 30 10 JEEE C=CCC(C)(C)Cn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1594460936 GPZSGFFIKLOSTJ-UHFFFAOYSA-N 456.591 2.430 30 10 JEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCCN(C(=O)c2ccccc2F)CC1 1595562222 QPNMTOXRPPRAHA-UHFFFAOYSA-N 497.600 2.428 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@H](Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@@H](C#N)C2)C1 1597461995 HRKVNXHOCBRLGQ-ROUUACIJSA-N 496.572 2.301 30 10 JEEE CN(C)c1ccc(-c2nnnn2[C@@H]2CO[C@@H]3[C@H](OC(=O)Nc4cccc(C#N)c4)CO[C@@H]32)cc1 1616124850 BXXYBBSAGKQKCD-XRXFAXGQSA-N 461.482 2.234 30 10 JEEE CO[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(Cc2cc(C)no2)CC1 1618946720 GCUGJQBNBZIBQN-GOSISDBHSA-N 451.531 2.382 30 10 JEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H](C)c1ccc(N2CCCNC2=O)cc1 1628727680 GJRUJZQEOZAHJG-HOTGVXAUSA-N 455.540 2.022 30 10 JEEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@H]1C 1637388954 CGRBPWRJFVYJNP-XHSDSOJGSA-N 450.561 2.081 30 10 JEEE C#Cc1cccc(CNC(=O)c2cc(S(=O)(=O)NCCOC)ccc2Br)c1 1639154659 GQJDQLUJHZYINC-UHFFFAOYSA-N 451.342 2.285 30 10 JEEE C=CCCC[C@@H](NS(=O)(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1)C(=O)OC 1671557612 WSXCQQUQFFAABZ-LJQANCHMSA-N 458.602 2.428 30 10 JEEE C#CCN(C(=O)Nc1ccc(Cl)cc1-c1nc(CCOC)no1)[C@H]1CCS(=O)(=O)C1 1675094353 JIFNZQFMMYZUKF-AWEZNQCLSA-N 452.920 2.233 30 10 JEEE C[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)c1cccc(C#N)c1 1676035213 HJMWINPSRFTPRR-INIZCTEOSA-N 456.524 2.107 30 10 JEEE C#CCCCn1c(N2CCN(CC(=O)Nc3ccccc3)CC2)nnc1[C@]1(OCC)CCOC1 1689940803 DEUNRIDGCRCMNY-VWLOTQADSA-N 466.586 2.104 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CCc1cccc(F)c1F)[C@@H]1CCS(=O)(=O)C1 1689993314 ARCVBNMIVWZDAN-LJQANCHMSA-N 471.533 2.412 30 10 JEEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1CCCSCC)[C@H]1CCS(=O)(=O)C1 1689994015 PKPWIJGLRYCDAI-IBGZPJMESA-N 472.640 2.287 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(O)cc1 1690020081 YHHAIUCALDMZHW-FQEVSTJZSA-N 451.527 2.413 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)n(C)c1=O 1690091531 WWSZTLJTNGOVBM-FQEVSTJZSA-N 483.569 2.015 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCc2ncc(CC)s2)CC1 1690138145 SXEYFWCQDKGLNU-DEOSSOPVSA-N 486.642 2.158 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Br)cc3)n2CC[S@@](=O)CC)CC1 1690139408 LDFGTNAPTOCNKE-PMERELPUSA-N 492.443 2.442 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3nn(C(C)C)c(=O)c4ccccc34)n2C[C@@H](C)OC)CC1 1690143978 IIJVPCPZTRGOIJ-GOSISDBHSA-N 491.596 2.237 30 10 JEEE CC(C)N(C)CCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@](F)(C#N)C1 1692467937 AYSUYLICTRHAFV-QHCPKHFHSA-N 452.538 2.364 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(SC)CCN(C)CC1 1705482001 QJSLQPBFZLJITK-GOSISDBHSA-N 490.699 2.481 30 10 JEEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(CN2CCC(O)CC2)cc1 1705558769 HKBMDHDUAXNAIV-GMAHTHKFSA-N 453.587 2.077 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccc(Cl)s1)[C@H]1CCS(=O)(=O)C1 1705566258 MQKQLQCQYXTCNT-AWEZNQCLSA-N 450.977 2.069 30 10 JEEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1705568837 VXOJVUHURBVFQP-OKZBNKHCSA-N 475.640 2.333 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(C)(C)c2ccc(F)cc2)CC1 1705639715 UWCKJOAFEGXLCI-SFHVURJKSA-N 459.591 2.052 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)CCCC(=O)NC 1705700822 YWWJFPGFZNFGRF-FXAWDEMLSA-N 489.646 2.182 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)NC2CCCCC2)CC1 1705737407 QHYMJEMMMFXOBJ-FQEVSTJZSA-N 493.674 2.438 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1705897305 JYUZDPWGIIKOGT-QGZVFWFLSA-N 487.580 2.490 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN(c2ccnc(C)n2)CC1 1705898564 PQEPRCVDKODMFY-UHFFFAOYSA-N 492.584 2.080 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC2CCOCC2)C1 1705919614 HLMDCIWIFXQQRX-HXUWFJFHSA-N 475.615 2.403 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(Cl)cc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1705938369 WOQSFXYFYATMJH-IBGZPJMESA-N 491.017 2.288 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1705939032 QEQYKPFDIYULML-WOJBJXKFSA-N 457.556 2.180 30 10 JEEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCS(C)(=O)=O)CC2(CCOCC2)O1 1708182284 HAYUFURTYBNHNU-KRWDZBQOSA-N 459.572 2.026 30 10 JEEE COCC[C@@](C)(O)Cn1c(CCc2ccccc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1712325877 AVPQTEHLDOXERY-RXFWQSSRSA-N 490.612 2.228 30 10 JEEE C#CCCCCn1c(COc2ccc(OC)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1722323521 VMDUJUFHECUIFL-QHCPKHFHSA-N 480.613 2.412 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1C[C@@H]1NC(=O)CC1(C)C)[C@@H]1CCS(=O)(=O)C1 1722360790 WECLYZWQNPZQAB-UXHICEINSA-N 469.611 2.049 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(CCOC)[C@@H](C)C1 1722507214 XGRWVNCPOIKMAM-IPJJNNNSSA-N 488.658 2.408 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1722508792 UMTGDBRVCQGJLN-JTJHWIPRSA-N 471.606 2.027 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1([S@](C)=O)CC1 1722672835 AEJSYSDLQFTEIP-ADSBAMQRSA-N 462.641 2.326 30 10 JEEE C=CCOc1ccccc1Cn1c(COCC)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1722708173 LOHZKSJXFHRDEU-NFBKMPQASA-N 482.629 2.417 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCCC2(C)C)C1 1722719588 WXLCSCLBDAPHFA-IPMKNSEASA-N 467.636 2.219 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1722723587 AGEOBOFGMLRSOD-NRFANRHFSA-N 497.524 2.178 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C2CCC1(C)CC2 1722751209 RBNYGDCYMKUOSX-UHFFFAOYSA-N 464.613 2.471 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)SC 1730749691 FNVJOFSLOVDKOS-APWZRJJASA-N 463.629 2.456 30 10 JEEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cccc(OCC)n2)CC1 1740565609 YKMGYOFHEPVVNX-UHFFFAOYSA-N 451.575 2.438 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)Cc1ccc(OC)c(OC)c1 1740637781 HWFZVADPHNDDRR-ICSRJNTNSA-N 470.595 2.149 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccsc1Br 1740640089 IHJJUMOYOUEFDJ-CQSZACIVSA-N 453.387 2.125 30 10 JEEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1740721672 PRJVTGYSDWKZKZ-RTWAWAEBSA-N 453.568 2.479 30 10 JEEE C=C(C)Cn1c(Cc2ccccc2OC)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1740783202 XAPKLLNIMYWOJJ-HXUWFJFHSA-N 475.615 2.084 30 10 JEEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2c(CC)nn(C)c2Cl)CC1 1740877039 XUKLXKBDTYOGDG-KRWDZBQOSA-N 496.081 2.418 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1740951645 KETZVIKYJXTHMI-BVSLBCMMSA-N 482.629 2.494 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCCO[C@H](c2ccccc2)C1 1740990642 YHOCQBSCDXRMHD-FQEVSTJZSA-N 456.572 2.247 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCO[C@@H](C(C)(C)C)C1 1740990757 FGJYUNZREVOBOV-GOSISDBHSA-N 486.598 2.446 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCCN(C(=O)C2CC2)CC1 1740993021 RHAXIYGXRQKDOO-UHFFFAOYSA-N 493.580 2.197 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](C)C1 1740995774 XCBLSPOWJCRNIM-SJORKVTESA-N 469.608 2.176 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCC(F)(F)CC1 1741130860 CDVPSOUACCPLMH-GDBMZVCRSA-N 460.551 2.032 30 10 JEEE CN(C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC2CCOCC2)CC1)S(C)(=O)=O 1747659154 HBYFKRJCDMPVOY-UHFFFAOYSA-N 472.615 2.494 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1ccccc1OCC)[C@@H]1CCS(=O)(=O)C1 1748817538 LXRYZQDVNQSLPE-VQTJNVASSA-N 458.584 2.246 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@H]1CSCCS1)[C@@H]1CCS(=O)(=O)C1 1748818975 IEESZUSTQGFIFM-MSOLQXFVSA-N 480.656 2.483 30 10 JEEE C#CCN(c1nnc(COc2ccccc2CC)n1CC[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1748824236 LZLGAOZDUZLUMO-CTNGQTDRSA-N 472.611 2.473 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1CCNC(=O)c1ccccc1F 1748907294 RGNFLTGYQDZQCX-RXVVDRJESA-N 453.518 2.034 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1CCN1CCOCC1(C)C 1748944784 FIPJLBNSVQCBTK-HXUWFJFHSA-N 454.550 2.119 30 10 JEEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(Cn2ccnn2)CC1 1749210866 PNJNMADZONXESL-UHFFFAOYSA-N 451.535 2.026 30 10 JEEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(C#N)cc1 1749402734 RLCNGULJQZPUFC-HXUWFJFHSA-N 458.588 2.475 30 10 JEEE C=CCCOCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](NC(C)=O)C1 1749457299 IZKXQWMWPUYETK-VQTJNVASSA-N 492.621 2.284 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H]2CCOC2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1749690124 NIZJDBIMGUCVIY-NRFANRHFSA-N 468.602 2.042 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCc2noc(CC)n2)C1 1749695959 MVQJIKSDBLLHLR-KRWDZBQOSA-N 472.571 2.318 30 10 JEEE C[C@H](CC#N)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCN1CCOC(C)(C)C1 1751094123 DRDSZYURIQAPTD-LJQANCHMSA-N 467.622 2.301 30 10 JEEE C[C@@H]1C[C@@H](C)CN(c2nnc(COc3ccc(C#N)cc3)n2CCCn2cc(CO)nn2)C1 1752002855 BSMAGYUIXOVDFT-QZTJIDSGSA-N 450.547 2.385 30 10 JEEE C#CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1760148961 RGZWIHHHAQBBTC-NVXWUHKLSA-N 477.359 2.490 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1CC(=C)Cl)[C@@H]1CCS(=O)(=O)C1 1760185259 UBZPZDQFLLNYCR-OAHLLOKOSA-N 450.948 2.342 30 10 JEEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1CC(=C)Cl)[C@@H]1CCS(=O)(=O)C1 1760191095 AHHVWWCKZQOLEX-MRXNPFEDSA-N 450.948 2.245 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H]2CCSC2)CC1 1760265532 DEXLEEPALDWNFY-WZONZLPQSA-N 461.632 2.038 30 10 JEEE C#CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@@H](CNC(C)=O)C1 1760279369 AWMCPWMOIQQKJC-KRWDZBQOSA-N 465.583 2.313 30 10 JEEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](c2nnc3n2CCC3)C1 1760406367 BSCBDHKPJSUECB-DLBZAZTESA-N 476.651 2.412 30 10 JEEE C=CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(CC(=O)NC(C)C)CC1 1760438141 ZQEWFDKRFWBWFQ-UHFFFAOYSA-N 464.574 2.207 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C1CCCCC1)N(C)C)C1CC1 1760477136 QEQUDJCMUDWMKI-RTWAWAEBSA-N 480.679 2.276 30 10 JEEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2csc(C(C)(C)C)n2)CC1 1760510054 DSTVZGPNZHNUMH-INIZCTEOSA-N 464.661 2.442 30 10 JEEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N(C)C[C@@H]1CCCO[C@@H]1c1ccccc1 1760527431 WWWSWVSFCMFSSV-GBXCKJPGSA-N 466.586 2.307 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC2([S@](C)=O)CCC2)C1 1760549844 NSFCKCWBULJFNP-ZYSBOAIWSA-N 463.629 2.352 30 10 JEEE CC(=O)N1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2ccc(C#N)o2)[C@H](C)C1 1760614080 JEBMGPBKRUWLQP-UZLBHIALSA-N 499.572 2.156 30 10 JEEE CN(CCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)OC[C@H]2C1)CC(F)(F)F 1768885245 DWYDRYASSJLHDO-QGZVFWFLSA-N 463.464 2.342 30 10 JEEE COCCN(CCC#N)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@H]1CCCCS1(=O)=O 1769845024 GGKOBGHTTYKCCR-FXAWDEMLSA-N 475.571 2.124 30 10 JEEE CCCCCCCCNC(=O)[C@H](CCC(N)=O)NC(=O)c1cc(C)ccc1S(C)(=O)=O 1861002901 VJSYEESITGSYLB-SFHVURJKSA-N 453.605 2.239 30 10 JEEE COc1cc(C(=O)NCC(=O)Nc2c(C#N)nnn2Cc2ccccc2Cl)cc(OC)c1OC 1870107088 RMAKMFDNSBXFAI-UHFFFAOYSA-N 484.900 2.246 30 10 JEEE COc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)NCC(=O)Nc3ccc(C#N)cc3)CC2)cc1 1873867018 JEGJHYGQZRPGEA-WGSAOQKQSA-N 484.578 2.406 30 10 JEEE Cc1c(C(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)cnn1-c1ccc(F)c(F)c1 1889549883 PBQXBDIBMXXBSI-UHFFFAOYSA-N 471.552 2.331 30 10 JEEE COc1cc2nc(N(C)CC(=O)N3CCC[C@H](Oc4nccnc4C#N)C3)sc2cc1OC 1892005060 JLLTVWIBRHWGNB-AWEZNQCLSA-N 468.539 2.481 30 10 JEEE C=CCC1(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C(=O)O)CN(C(=O)OC(C)(C)C)C1 2059550130 MCBKRHYIQMXXST-OAHLLOKOSA-N 453.536 2.332 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCOCC[C@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2180966778 REBFGUDOENMKII-CVEARBPZSA-N 462.356 2.034 30 10 JEEE C=C[C@@]1(CO)COCCN1C(=O)c1cc(I)ccc1Br 2199858291 BDVHWOHUHFMLMZ-CQSZACIVSA-N 452.086 2.443 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](CNC(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1O 2267280173 MMOGGDNPUCIJIX-IMJJTQAJSA-N 466.409 2.441 30 10 JEEE CC(C)(C)OC(=O)N[C@@](C)(CO)CNC(=O)c1cccc(F)c1B1OC(C)(C)C(C)(C)O1 2267414288 MGWTUCMSYFMPGQ-JOCHJYFZSA-N 452.332 2.130 30 10 JEEE C[C@H]1CN(Cc2ccccc2)CCN1S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2267473121 AJMDXYQVMFBLPF-KRWDZBQOSA-N 477.461 2.478 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)sc1CNC(=O)[C@H]1C[C@H](O)CN1C(=O)OC(C)(C)C 2268640604 IJZOBXITWVEJSI-LSDHHAIUSA-N 466.409 2.342 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](O)C[C@@H]1C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)s1 2268645292 FHYPDUBKAPAXKQ-GOEBONIOSA-N 466.409 2.424 30 10 JEEE COC1(C(=O)N[C@H](C)c2nscc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2268671694 NFPZNZBVZUFJKG-CYBMUJFWSA-N 467.397 2.255 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 2281968553 XTMISZCXUTVQQE-HZPDHXFCSA-N 460.384 2.141 30 10 JEEE Cc1c(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281984770 FPRKDBFGXCNWBI-GDBMZVCRSA-N 462.400 2.403 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@]2(C[C@@H](NC(=O)c3sncc3B3OC(C)(C)C(C)(C)O3)CO2)C1 2282029380 RGKSHPMAOPMFDT-JLCFBVMHSA-N 479.408 2.341 30 10 JEEE CCn1cc(C(=O)NC[C@H]2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)nc1B1OC(C)(C)C(C)(C)O1 2282034973 OWKPXTMIPVVWEH-PHZGNYQRSA-N 460.384 2.045 30 10 JEEE Cn1cc(C(=O)N2CCC3(CC2)CN(C(=O)OC(C)(C)C)C3)nc1B1OC(C)(C)C(C)(C)O1 2282035064 PVEAEQFBGWSMLK-UHFFFAOYSA-N 460.384 2.192 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C12CCC2 2282039962 CHBOUUXASFCGBQ-INIZCTEOSA-N 460.384 2.381 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 2282043082 LMYODCFBRNMVPN-MRXNPFEDSA-N 462.400 2.486 30 10 JEEE COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)NC1(CNC(=O)OC(C)(C)C)COC1 2282527369 BRHTYRAYRDKVOX-UHFFFAOYSA-N 462.352 2.018 30 10 JEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N=c1nc(CCNC(=O)OC(C)(C)C)[nH]s1 2282563695 IWKJLCJFQVNUJJ-UHFFFAOYSA-N 478.380 2.480 30 10 JEEE Cc1c(C(=O)N2CC[C@@H](CCNC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282591863 VXIHKTILUGAZMH-MRXNPFEDSA-N 462.400 2.405 30 10 JEEE Cc1c(C(=O)NC[C@]23C[C@@H]2CN(C(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282592418 CRNCNFQEIBIWDR-CMJOXMDJSA-N 460.384 2.015 30 10 JEEE Cc1c(C(=O)N[C@H]2C[C@H](C)CN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282593428 QMRWOOPPJOQOOE-HOCLYGCPSA-N 462.400 2.403 30 10 JEEE C[C@H]1C[C@@H](NC(=O)C(F)(F)F)CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2O)C1 2282820290 SKFJDSUUHQDEDV-GXTWGEPZSA-N 456.270 2.221 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@H]2NS(=O)(=O)c1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2282839788 AHZHMDSLVSOFIC-SKDZVZGDSA-N 482.383 2.411 30 10 JEEE CO[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C1 2284047941 HXKJJQWMIJHNQW-LSDHHAIUSA-N 481.424 2.473 30 10 JEEE C[C@H](NC(=O)[C@@H](CCC(N)=O)NC(=O)OC(C)(C)C)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2284148049 PLWQWLYMRNCIOH-DZGCQCFKSA-N 481.424 2.383 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CS(C)(=O)=O)C(=O)N1CC[C@H]2C[C@]2(B2OC(C)(C)C(C)(C)O2)C1 2335392050 FPGGEHZMKCDZAP-GXZWQRSESA-N 472.413 2.009 30 10 JEEE CCO[C@@H]1C[C@H](NC(=O)OC(C)(C)C)[C@H]1NC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2337403411 OHYSQBHVZVQRHS-RRFJBIMHSA-N 467.397 2.243 30 10 JEEE C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1N(C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2362352061 BEXBUDIFWVEQOY-JKSUJKDBSA-N 462.400 2.437 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1C[C@H]2CC[C@H]1N(C(=O)OC(C)(C)C)C2 2362463936 BCKNVXNUOYBAQH-BZUAXINKSA-N 460.384 2.237 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)n1C 2362486071 NIZVDULTKHDMTB-HZPDHXFCSA-N 460.384 2.109 30 10 JEEE COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)NC[C@H](CNC(=O)OC(C)(C)C)OC 2365477645 OZYUCAFBJVUSAP-MRXNPFEDSA-N 464.368 2.264 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)NC(=O)CCSc3ccccc3)cc2C1=O 24671027 SYTSDOUGZWYVQU-UHFFFAOYSA-N 452.488 2.451 30 10 JEEE C#CCOC[C@H](O)CN(Cc1ccccc1)Cc1nc2sc(C(=O)OCC)c(C)c2c(=O)[nH]1 36207213 GQZCHDWKKHXZDW-GOSISDBHSA-N 469.563 2.483 30 10 JEEE COc1cccc([C@@H]2/C(=C(/O)c3ccncc3)C(=O)C(=O)N2CCCN2CCOCC2)c1OC 103222347 NUFJXVJKESZMHC-SADKCHQCSA-N 467.522 2.243 30 10 JEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC(C(=O)N4CCCCC4)CC3)CC2)cc1 512211448 KDPIDWYOFXESEC-UHFFFAOYSA-N 472.611 2.210 30 10 JEEE CCN(CC)c1ccc([C@H]2N(C(=O)C[N+](=O)NOC)CCCN2S(=O)(=O)c2ccccc2)cc1 585088873 DOILZKSMUDHCSD-QHCPKHFHSA-N 490.606 2.300 30 10 JEEE C=CCN(C(=O)c1cc(S(=O)(=O)N2CCCC[C@@H]2C)ccc1C)[C@@H]1CCS(=O)(=O)C1 1125953248 CNCPMKGUBNIAQK-ZWKOTPCHSA-N 454.614 2.373 30 10 JEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(S(=O)(=O)N=S(C)(C)=O)cc1 1178241617 ZDHUWZVGQOYGDT-INIZCTEOSA-N 457.574 2.348 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@H](c1cccc(C)c1)N1CCOCC1 1286269777 HWRDZPHNKZCBOH-IFMALSPDSA-N 450.587 2.354 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc2ccccc2s1 1286295751 KTMXJXQUJJHJAO-MAUKXSAKSA-N 459.597 2.332 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2C[C@H](C)CN2CCOCC2)c1 1286312460 XZPHPFUHBUHDFV-OAQYLSRUSA-N 487.608 2.288 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCN1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1286381951 ILOGEPJTGLYZJQ-NRFANRHFSA-N 471.627 2.312 30 10 JEEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1CC[C@@H](C(F)F)N1CCOCC1 1286431327 VWCPGEUHEQXZIM-NRFANRHFSA-N 481.551 2.336 30 10 JEEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 1286514850 QUIIWYIFNHMMBH-ZJBJCVSYSA-N 488.610 2.439 30 10 JEEE C=C(Br)Cn1c([C@H]2CCOC2)nnc1N1CCC(C(=O)NCCCOCC)CC1 1286542033 QIANNIUJPCOJHP-KRWDZBQOSA-N 470.412 2.450 30 10 JEEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1286600975 GMBAUVZOVMYZBT-UGKGYDQZSA-N 460.623 2.149 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1286779094 DMSPCPUFTSXLLT-SFHVURJKSA-N 482.976 2.298 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1286779163 FQWDXOYYMOHLLT-INIZCTEOSA-N 481.557 2.001 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCOC2(CCOCC2)C1 1286784026 UJJWNNNKRZKWGS-UHFFFAOYSA-N 461.950 2.295 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1286789880 YIHBXOBBLRICBF-IBGZPJMESA-N 452.603 2.490 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCCN(C(=O)C(C)C)CC1 1286821199 DAYSVVAOOMXICJ-UHFFFAOYSA-N 477.606 2.304 30 10 JEEE C=CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1286834317 DEUKDZTXNVJKBE-DEOSSOPVSA-N 495.609 2.462 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@@H]1CCCCN1C1CC1 1288775043 BNGAPRDLWFFKMG-UTKZUKDTSA-N 471.631 2.413 30 10 JEEE Cc1nn(C)c(N2CCN(c3nnc(C(C)(C)C)n3CCCN3CCCCC3=O)CC2)c1C#N 1290576517 FZQQUROXLDSKPX-UHFFFAOYSA-N 467.622 2.218 30 10 JEEE C#CCN(c1nnc(-c2ccccc2F)n1CCCC(=O)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1300488341 QZFHCYQSAQAKDT-GOSISDBHSA-N 475.590 2.360 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CC1(N(C)C)CCOCC1)[C@H]1CCS(=O)(=O)C1 1300489593 PSEGBVXAPJCRTH-QFIPXVFZSA-N 485.654 2.245 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1CCN(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1300503022 ACUTWNDPPSVINI-FQEVSTJZSA-N 459.616 2.132 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(C[S@](C)=O)cc1 1300554338 ADWLNOJPHQONQW-XIFFEERXSA-N 460.563 2.315 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCNC(=O)c1ccco1 1300554916 MMHRERSTMSRVAA-UHFFFAOYSA-N 478.940 2.347 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnn(C)c2)n1CCCN1CCC(O)CC1 1300647225 CJHUQIKBYZOXQJ-UHFFFAOYSA-N 451.550 2.304 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CCC(=O)Nc1cccc(Cl)c1C 1300666370 XWXZJXUZWAWPNY-SFHVURJKSA-N 458.950 2.306 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CCCOC[C@@H]2CCCO2)CC1 1300721810 AOKVVVOHUAGREM-NRFANRHFSA-N 466.586 2.200 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CCCc2nnc(C)s2)CC1 1300727033 UPZGPTLBAOOXOV-UHFFFAOYSA-N 464.599 2.022 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H]2CCOC2)CC1 1300732098 KNHAAQNKUZSFEX-RLLQIKCJSA-N 486.617 2.051 30 10 JEEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1300745813 MCSZXXALICFQQY-JOCHJYFZSA-N 476.624 2.344 30 10 JEEE C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)c2c(F)cccc2F)CC1 1301429360 ZLAWLRLSMVNUIY-UHFFFAOYSA-N 453.453 2.352 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 1301507153 YKEJDXGSTMGDEB-FQEVSTJZSA-N 452.481 2.096 30 10 JEEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCCN(C(C)(C)C)CC1 1301592618 AWBLWERVDNYSDW-UHFFFAOYSA-N 494.687 2.181 30 10 JEEE CS(=O)(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@@H]2CCCCO2)C1 1302448773 FHGJHANZVLKCQI-AZUAARDMSA-N 459.572 2.311 30 10 JEEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCC(CC#N)CC3)n2C[C@H]2CCCCS2)C1 1302477124 CLSQWBUZMOIWGI-MSOLQXFVSA-N 468.649 2.027 30 10 JEEE Cc1ccc(C(C)C)c(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CC2(C(N)=O)CCOCC2)c1 1304271265 HGSZZGRUWAZAGA-IBGZPJMESA-N 482.585 2.300 30 10 JEEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(CC(=O)NC)CC1 1358930535 XFKMKIRUDOZOFS-IBGZPJMESA-N 474.606 2.352 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1CCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1358965008 MCRHJLHTZWZFDA-NRFANRHFSA-N 452.584 2.009 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC[C@](C)(O)c2ccccc2)CC1 1359040448 VHAXLOZNZQOOSL-XTJBDQBJSA-N 453.587 2.055 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCN1CCN(C(C)=O)CC1 1359066236 SOTGSLOFBOSGOR-AREMUKBSSA-N 496.612 2.127 30 10 JEEE C=C(C)COCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(C)C(=O)[C@@H]1C 1359126522 RXXXGUXGUPKFMO-INIZCTEOSA-N 460.966 2.121 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCCCN2CCC)CC1 1359164820 ARAUCCWSIYXMPW-PMACEKPBSA-N 466.652 2.032 30 10 JEEE C=CCCCCn1c(CC)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1359204351 LUCSKIOJDHOJMP-ZACQAIPSSA-N 453.609 2.323 30 10 JEEE CC1(C)CN(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCOC(C)(C)C2)CCO1 1360829912 BICYYEUIQXXKFU-UHFFFAOYSA-N 454.575 2.455 30 10 JEEE C#CCn1ccc(CN(CCOC)C(=O)c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)n1 1459755655 AQHVCHZNDZIJTC-UHFFFAOYSA-N 458.584 2.226 30 10 JEEE COCCN1C[C@H](Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CC[C@](F)(C#N)C2)CC1=O 1504897643 DDALPKBCFQKQJF-KOSHJBKYSA-N 483.548 2.084 30 10 JEEE C#CCCCn1c(-c2cnccn2)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 1507583686 VPVVQFKBSOPWLC-UHFFFAOYSA-N 451.556 2.050 30 10 JEEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CC(C)(C)SC)[C@@H]1CCS(=O)(=O)C1 1507624800 DNZXMHABEOTRGG-DYESRHJHSA-N 470.661 2.087 30 10 JEEE C#CCN(c1nnc(-c2cc(C)nc3ccccc23)n1C[C@@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1507627659 SYSSPMORWNAMMS-MOPGFXCFSA-N 466.611 2.379 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CCc1cccc(F)c1F)[C@H]1CCS(=O)(=O)C1 1507633026 ADJAGERXOGEGTG-IBGZPJMESA-N 471.533 2.412 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1C[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1507639184 JSGLFHXAFXPVRS-VQTJNVASSA-N 458.584 2.137 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@H]1CCCCN1CC)[C@@H]1CCS(=O)(=O)C1 1507639971 NQVGRLNTWHVIIE-NHCUHLMSSA-N 489.617 2.497 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H](C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 1507640644 VBOYEJKGOZVVAO-UNMCSNQZSA-N 496.637 2.087 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H](c2c(F)cccc2F)N(C)C)CC1 1507733338 UZFHYAQCHMBIDH-HARLFGEKSA-N 488.583 2.338 30 10 JEEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1507751582 KVRSNZIJSGTGIL-SFHVURJKSA-N 493.637 2.252 30 10 JEEE C=C(Br)Cn1c(N2CCN(C(C)=O)C[C@@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 1507794256 XNDTZZFVWFXJAU-HNAYVOBHSA-N 456.385 2.284 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCCN(CCC)C(=O)C2)nnc1[C@@]1(OCC)CCOC1 1507808160 GMQHRGWGXZNCEW-ZCVJKFOLSA-N 461.607 2.360 30 10 JEEE C=C(Cl)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC2(CC1)COC(=O)N2 1507869256 SRYJDSLHQSHNIC-OAHLLOKOSA-N 482.969 2.418 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1508075359 XSEMDQWXHDAHOQ-GDBMZVCRSA-N 463.629 2.057 30 10 JEEE CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccc(OCCN2CCCC2)cc1 1509637059 DIACJRAIDYCXNI-DEOSSOPVSA-N 469.565 2.381 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCn1cc(Cl)cn1)[C@@H]1CCS(=O)(=O)C1 1539213052 UWMFMTWEISMDCO-GOSISDBHSA-N 474.974 2.131 30 10 JEEE C#CCN(c1nnc(C2CCCC2)n1CCCOC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1539221913 SNTGCFYDRDONOF-IBGZPJMESA-N 450.605 2.148 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1ccc(C)n(C)c1=O 1539315038 CIXMNHPARJSLEH-UHFFFAOYSA-N 481.560 2.193 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccnc1OCC(F)(F)F 1539370557 XIMQUCITJRKXAM-HNNXBMFYSA-N 457.478 2.024 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(F)ccc2Br)n1CCNC(=O)C1CC1 1539400009 XKSIQQDCABFWFN-UHFFFAOYSA-N 464.339 2.459 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3OCC)n2CCN2CCSCC2)CC1 1539462357 UIGZZPWVZLTWTH-UHFFFAOYSA-N 470.643 2.060 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@]2(N(C)C)CCSC2)CC1 1539483259 URODPIRLTTVWJM-RUZDIDTESA-N 484.645 2.411 30 10 JEEE C=C(C)COCCn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1539728671 KHOITPKOWXTFDX-UHFFFAOYSA-N 487.004 2.462 30 10 JEEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(C(C)(C)C)CC1 1539966449 JQLIEHVQXFLOOS-LJQANCHMSA-N 468.668 2.278 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 1540200750 HWBGDLCFNDYOFF-OALUTQOASA-N 497.662 2.466 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N(C)Cc1ccccc1N1CCOCC1 1540873290 SZWVGQFRHLXVHN-UHFFFAOYSA-N 461.570 2.039 30 10 JEEE CC(C)(C)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)C1 1541166162 FMFPXDLVTDHLMC-LJQANCHMSA-N 452.559 2.460 30 10 JEEE CN(C)C(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1552708713 CDITVNRZZSHRNR-UHFFFAOYSA-N 464.574 2.023 30 10 JEEE COc1ccc(C(=O)N(C)C)cc1S(=O)(=O)NC1CCC(Oc2ncccc2C#N)CC1 1561488276 DAIMUOOJHNUHHX-UHFFFAOYSA-N 458.540 2.332 30 10 JEEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1587701782 JYPBZYIBLCCMMB-OAQYLSRUSA-N 464.618 2.334 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(-c3ccccc3)on2)n1CCNC(=O)c1cc[nH]n1 1588219258 PJZJPDFQKLQAAL-UHFFFAOYSA-N 454.494 2.216 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H](C)CN2CCCCC2)CC1 1588751380 KAFUYBLBCZCFMC-RCZVLFRGSA-N 458.651 2.196 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCC2(CC1)CNC(=O)C2 1595489156 DMPQOWVBQJWLSK-UHFFFAOYSA-N 491.365 2.255 30 10 JEEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCCN(C(=O)Cc2cccc(F)c2)CC1 1595550362 DBWHZEUBWSZTTP-UHFFFAOYSA-N 456.566 2.199 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)C(C)C 1595658882 MFHVGDLXZYYZIE-FQEVSTJZSA-N 463.604 2.459 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2Cc2cnccc2OC)C1 1595688299 GHBJQRBJLHJDPM-HXUWFJFHSA-N 498.609 2.429 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCO[C@@](C)(CC)C1 1595776637 CHEXAQRECLHTLZ-QFIPXVFZSA-N 462.572 2.322 30 10 JEEE CC(C)NC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 1610044367 IFJKOIIUEQQSFK-GOSISDBHSA-N 464.530 2.426 30 10 JEEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[S@@](=O)C(C)(C)C 1617869569 CITZZYAYNYDAPD-VPTFNQTCSA-N 463.629 2.235 30 10 JEEE C#CCOc1ccc(CNC(=O)NCc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)cc1 1683189570 CODFOEAPSHGITF-NRFANRHFSA-N 457.552 2.155 30 10 JEEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 1689873271 CMOHIIGVONEKLV-QFIPXVFZSA-N 450.587 2.173 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccsc1Br 1690033130 RAWZRQZNITYAQW-CYBMUJFWSA-N 470.418 2.224 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2Cc2c(CC)nn(C)c2OC)CC1 1690142940 YPGBKPSNBROCSX-UHFFFAOYSA-N 491.596 2.272 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](c2cccc(OC)c2)N(C)C)CC1 1690146117 GFQJSBKUBVMHBZ-VWNXMTODSA-N 494.640 2.449 30 10 JEEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 1690178962 JAVNTIOJNLKJFJ-OAQYLSRUSA-N 488.683 2.461 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1690676084 PJCVIXKOZPYGRP-QGZVFWFLSA-N 474.537 2.402 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2CCCS(C)(=O)=O)C1 1690688290 RYYAGAQGPLYKLP-OAHLLOKOSA-N 472.409 2.262 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCN2C[C@@H](C)O[C@H](C)C2)C1 1690712009 LVGLRSPAURRDQO-YPAWHYETSA-N 457.623 2.420 30 10 JEEE C[C@@H]1COCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1693846127 DGXBBTHKSRPASU-QFUCXCTJSA-N 473.599 2.415 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC[C@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1705560365 GDOVOYRZIUZNNJ-VQTJNVASSA-N 473.555 2.439 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccsc2Br)CC1 1705631637 KZADHAJZQXDDJE-UHFFFAOYSA-N 463.405 2.142 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2CCn2cc(Br)cn2)CC1 1705638817 XOWYPUAAOZWFBZ-UHFFFAOYSA-N 455.364 2.063 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2CCC(=O)NCc2ccccc2)CC1 1705644336 NLGFGVFOPWPGTJ-IBGZPJMESA-N 450.587 2.464 30 10 JEEE C#CCSCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1705655583 HOFAHLSZENDZJN-UHFFFAOYSA-N 490.992 2.031 30 10 JEEE C=C(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](n2cncn2)C1)c1ccccc1 1705741177 IDWJYYNFWQPBMV-IEBWSBKVSA-N 456.576 2.035 30 10 JEEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1705799813 HGZZGPITVHPPMJ-KRWDZBQOSA-N 473.665 2.182 30 10 JEEE C=CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(NS(C)(=O)=O)CC1 1705801630 LTOXKTCVCOMDDH-UHFFFAOYSA-N 481.644 2.223 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1705902102 GOZOUFUFWITURI-UHFFFAOYSA-N 459.554 2.167 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](COC)C1 1705910378 AMEMDOMKHIFGML-IBGZPJMESA-N 464.526 2.390 30 10 JEEE C[C@H](Oc1ccccc1F)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CC(=O)N(C)C 1706928321 BEJNQHKDGVPGCJ-IRXDYDNUSA-N 493.547 2.022 30 10 JEEE CCN1CCN([C@@H](C)Cn2c(CNC(=O)c3cccs3)nnc2N(C)[C@@H](C)CC#N)CC1 1710269918 GDBHRWPZGRYMIG-ROUUACIJSA-N 458.636 2.034 30 10 JEEE COCCN(C)S(=O)(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCC2CC2)C1 1712427014 BKSOIQGYFYIXTO-NRFANRHFSA-N 472.615 2.494 30 10 JEEE C#CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(S(C)(=O)=O)CC1 1722315064 UUXCIDIAOMMPJO-UHFFFAOYSA-N 468.583 2.009 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC1(O)CCOCC1 1722430979 LRUJUAHJMIXIBO-UHFFFAOYSA-N 450.543 2.237 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2C[C@@H](OC(C)(C)C)C2(C)C)CC1 1722436979 HWVZNQNYZCRRHH-XUVXKRRUSA-N 477.675 2.165 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2N(C)CCCC2(C)C)CC1 1722441492 RNOKOHBYNGZOET-FQEVSTJZSA-N 492.628 2.012 30 10 JEEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 1722620566 SIFHTOLLEDRYAZ-NHCUHLMSSA-N 471.650 2.184 30 10 JEEE C=CCCOCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@]2(CCOC2)C1 1722629594 MHLIMAMWBOUZTP-DVECYGJZSA-N 493.605 2.175 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1722695931 VHVAEUZPLQTIRU-IBGZPJMESA-N 488.036 2.126 30 10 JEEE C=CCOc1ccc(Cn2c([C@H]3CCCCO3)nnc2N(C)CC(=O)N2CCOCC2)cc1 1722705299 BEUZZQMFMISGPO-OAQYLSRUSA-N 455.559 2.428 30 10 JEEE C#CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCCC(=O)NC 1740574774 NEBVSXYUORSTNR-SFHVURJKSA-N 462.595 2.352 30 10 JEEE C#CCCCn1c(N2CCN(C(=O)c3ccc(F)cc3)CC2)nnc1[C@@]1(OCC)CCOC1 1740597487 ULYZXSPJZZLGDM-XMMPIXPASA-N 455.534 2.445 30 10 JEEE C#CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CCN1CCN(C(C)=O)CC1 1740614595 XNJHYAISWDVOKO-UHFFFAOYSA-N 465.385 2.397 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1Cc1ccc(F)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1740615754 KOGFFJLGLLHRKQ-QGZVFWFLSA-N 479.553 2.150 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCN1CCCC(C)(C)C1)[C@H]1CCS(=O)(=O)C1 1740624431 IORYGTIYLAVPBK-FQEVSTJZSA-N 490.699 2.383 30 10 JEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@](C)(O)[C@@H](C)CC 1740631569 CEVCYBMZBYMZBF-SBUREZEXSA-N 456.616 2.417 30 10 JEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCO[C@@H]1C(C)C 1740637262 WDMZOOVBPRKWJB-AZUAARDMSA-N 454.600 2.372 30 10 JEEE C#CCSCCn1c(COc2cc(C)ccc2C)nnc1N1CCO[C@H](CNC(C)=O)C1 1740721200 AFRCFGFFDQGHHD-HXUWFJFHSA-N 457.600 2.182 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(F)(F)CNC(=O)OC(C)(C)C 1740731164 QFJNDYHOFWCQND-FOIQADDNSA-N 487.573 2.332 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCn1cnnn1 1740735825 GBYYRWMMBUMQMH-HYFFOGBASA-N 455.567 2.118 30 10 JEEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1740789256 BBWVHFIVMNIAOU-GOSISDBHSA-N 473.965 2.353 30 10 JEEE C=C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccccc2S(=O)(=O)N(C)C)CC1 1740829795 KJQBGTRXVHVABX-FPOVZHCZSA-N 475.615 2.457 30 10 JEEE C=CC[C@@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(C)(OC)C1)c1ccccc1 1740856444 SWXIOZQQKQOQEX-PMACEKPBSA-N 475.615 2.196 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1CCN1CCOC(C)(C)C1 1740916524 PVCOCOFTAYXKDP-NRFANRHFSA-N 463.586 2.404 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(C)noc1C 1740938134 ZGFPLBPGWZZJPI-FQEVSTJZSA-N 490.586 2.092 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Br)cc2)nnc1N1CC[C@H]2C[C@H]1CO2 1740963649 SAYPCFNATMXXSS-RDJZCZTQSA-N 462.348 2.289 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(N(C)C)cc2C)C1 1740980517 LEEHYHAXZACUFK-FPOVZHCZSA-N 459.616 2.384 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2CCNc2nccc(C(F)(F)F)n2)C1 1740982971 ZCGLNLQMXPGHLJ-LSDHHAIUSA-N 453.469 2.484 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1740988434 DSSZBYDAAKBCCO-HXUWFJFHSA-N 451.980 2.162 30 10 JEEE CC(C)OCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1741760722 DAAHFHQNQLLWPF-QFIPXVFZSA-N 486.642 2.189 30 10 JEEE CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1745674999 FXOZGYRCHJTSKH-IBGZPJMESA-N 451.575 2.272 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1CCNS(=O)(=O)Cc1ccon1 1748651958 UQRFZLNDBWVQIG-CQSZACIVSA-N 493.387 2.273 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@H](C)Oc1ccccc1)[C@H]1CCS(=O)(=O)C1 1748801859 IDCJYKWLSPADBJ-OALUTQOASA-N 494.577 2.020 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)Oc2ccc(C)cc2)CC1 1748972669 NNISEKOXKQMCSY-FQEVSTJZSA-N 459.554 2.457 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCC(=O)N2CCCCC2)CC1 1749001497 UFSWNYQOJAJJKI-OYRHEFFESA-N 499.660 2.207 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCCOc2ccc(F)cc2)CC1 1749008821 GQWZMHIGOVSSCP-UHFFFAOYSA-N 463.517 2.309 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2CC2(OC)CCCC2)CC1 1749015300 BYHHFGNQYYJYKR-UHFFFAOYSA-N 484.626 2.195 30 10 JEEE C#CCSCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@H](COC)C1 1749023440 VJXLWCQANUXULQ-KRWDZBQOSA-N 462.645 2.386 30 10 JEEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1749103138 RYTSXVONCZDTGX-ZWKOTPCHSA-N 453.429 2.297 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1749135427 FCPRQTPOGFPSNW-HTAPYJJXSA-N 493.605 2.495 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(C#N)C1 1749368129 BNNVZTACFUYFBM-DYESRHJHSA-N 450.609 2.343 30 10 JEEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1749653190 XZKIFJUEOMDYNG-JOCHJYFZSA-N 480.613 2.197 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1749653275 ZZIMPCABSAEKSC-LPHOPBHVSA-N 489.418 2.167 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccccc3F)n2C[C@@H]2CCS(=O)(=O)C2)C1 1749718993 LFYSBHHECNXDMY-DLBZAZTESA-N 450.536 2.212 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC(CN2C[C@H](C)O[C@H](C)C2)CC1 1749731400 CONQRMBQERRNLI-VWPQPMDRSA-N 495.690 2.099 30 10 JEEE CC(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@@H](C(F)F)N2CCOCC2)CC1 1749832077 UXQPKRSPSKDERO-NRFANRHFSA-N 487.555 2.231 30 10 JEEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCOC[C@@H]2C)CC1 1749898386 FMSAVMJSYNQONP-FPOVZHCZSA-N 454.575 2.170 30 10 JEEE Cc1ccc(CCn2c(C(=O)NC(C)C)nnc2N2CCN(c3nccnc3C#N)C[C@H]2C)cc1 1751499406 BPRCRPCLJXIZIB-LJQANCHMSA-N 473.585 2.344 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@H](CC)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1760192078 QGKXBMJYQWWRJJ-FCHUYYIVSA-N 496.637 2.230 30 10 JEEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1CCc1cn[nH]c1)[C@@H]1CCS(=O)(=O)C1 1760192281 SLXAASSFLSMPAT-GOSISDBHSA-N 474.974 2.103 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCc2sc(C)nc2C)CC1 1760265613 FZLSUWKKQOUODF-DEOSSOPVSA-N 486.642 2.212 30 10 JEEE C=C(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1760344842 LSWTXTCTGWEUOZ-AWEZNQCLSA-N 485.536 2.319 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1760516255 ZPNKLOAIAGHCFX-GOSISDBHSA-N 478.557 2.352 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(Cc1ccnn1C)C1CC1 1760553754 ZDMIRMKSUMLWPF-UHFFFAOYSA-N 451.556 2.320 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@@H]1CCCS1 1762293202 DXXVFABNFWNDDO-WMZOPIPTSA-N 483.646 2.469 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cccc(NC(=O)[C@H]2CCCO2)c1 1764187262 HOLLBVPAXGJOHY-NHCUHLMSSA-N 495.584 2.091 30 10 JEEE CCO[C@@]1(c2nnc(N3CCN(c4ccccc4C#N)CC3)n2C[C@@H](C)N(C)C)CCOC1 1765911863 DXMIRCBWBVQYCU-DVECYGJZSA-N 453.591 2.079 30 10 JEEE CNC(=O)CCCN(C)c1nnc(-c2cccc(C#N)c2)n1CC1(S(C)(=O)=O)CCCC1 1769287108 FHOLPUVXTNIAQX-UHFFFAOYSA-N 458.588 2.137 30 10 JEEE COCCN(C)CCCn1c(CC(C)(C)C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1769779832 HIYSQMJGLGKVBH-UHFFFAOYSA-N 454.623 2.428 30 10 JEEE N#Cc1cccc(C(=O)N2CCN(c3ccc(NS(=O)(=O)c4ccc5c(c4)OCO5)cn3)CC2)c1 1858442214 XFZNFHSUKYQRBT-UHFFFAOYSA-N 491.529 2.445 30 10 JEEE C=CCN(CC=C)C(=O)[C@H](CC)NC(=O)[C@@H]1CC(=O)N(CCc2ccc(OC)c(OC)c2)C1 1862161934 ICZVGCDEFWQGST-UXHICEINSA-N 457.571 2.190 30 10 JEEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCO)[C@H]2c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 1862541902 VWDXODWWGOWGCK-FQEVSTJZSA-N 454.435 2.499 30 10 JEEE CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccc(O)c([N+](=O)[O-])c1 1862610171 DOVQCVIPBSTRAJ-HXUWFJFHSA-N 469.450 2.212 30 10 JEEE COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2C[C@H](C)O)cc(OC)c1O 1862633884 HYJKKVZRUBMGMI-JEOXALJRSA-N 457.435 2.097 30 10 JEEE C=CCOc1ccccc1OCC(=O)NC[C@@H](O)CN(C)S(=O)(=O)c1cccc(Cl)c1 1868038343 MSLWTGNZIPDSLA-QGZVFWFLSA-N 468.959 2.081 30 10 JEEE COCCN(CCOC)C(=O)[C@@H](NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1)C(C)C 1868782221 FKUHOQCPODFEQC-FPOVZHCZSA-N 464.632 2.287 30 10 JEEE COCCN1CC(=O)C(c2nc3ccccc3s2)=C1NC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O 1873711601 ZGMWIVWIGZGIPV-CQSZACIVSA-N 490.541 2.297 30 10 JEEE C=CCNC(=O)c1nc(C(=O)N2CCN(c3cncc(-c4ccc(OC)cc4)n3)CC2)cs1 1891588551 NMAAXOHHFDYJSI-UHFFFAOYSA-N 464.551 2.487 30 10 JEEE N#Cc1ncccc1OC1CN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc(Cl)cc2)C1 1891958201 YWJBARQRLOKZTJ-LJQANCHMSA-N 460.943 2.440 30 10 JEEE C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@]1(O)C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 2068509529 CEXZYZIDAIXGPP-BMCPXHGSSA-N 451.564 2.312 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CCS(C)(=O)=O)C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2180982317 FLHVOTFTCXIISM-QGZVFWFLSA-N 482.408 2.252 30 10 JEEE CC(C)(C)OC(=O)N=c1cc(C(=O)NCCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)[nH][nH]1 2180990774 GPNQQFGURDQJEU-UHFFFAOYSA-N 456.352 2.450 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](C(=O)NCc1cccc(B2OC(C)(C)C(C)(C)O2)c1)C1(O)CCC1 2188009232 KMBRMAKUXVZLOI-SFHVURJKSA-N 460.380 2.410 30 10 JEEE CN(C[C@H]1COCCN1C(=O)OC(C)(C)C)C(=O)c1occc1B1OC(C)(C)C(C)(C)O1 2267487903 QXZLXFZQMSIPNS-HNNXBMFYSA-N 450.341 2.287 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](OCCNC(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)C1 2267559082 KYDGAQCZNITAEO-HNNXBMFYSA-N 450.341 2.335 30 10 JEEE CC1(C)OB(c2cccc(NC(=O)[C@@](C)(NC(=O)C(F)(F)F)C(F)(F)F)n2)OC1(C)C 2268613684 XPHNLCPMRVMFHA-OAHLLOKOSA-N 455.164 2.319 30 10 JEEE C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(F)c(F)c1B1OC(C)(C)C(C)(C)O1 2268634770 KIZSYJIXJNMPDC-BZNIZROVSA-N 456.295 2.477 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1[C@@H](C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)C1(F)F 2268720277 SBPMADSZVMUJNJ-STQMWFEESA-N 473.351 2.465 30 10 JEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CCOc2cccc(B3OC(C)(C)C(C)(C)O3)n2)C1 2281454260 FWGUTCMUFIROTM-MRXNPFEDSA-N 482.408 2.184 30 10 JEEE Cc1c(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)nn1C 2281985072 JSZYHJGTHQUYOZ-CABCVRRESA-N 466.363 2.105 30 10 JEEE CCN(C(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)c(C)nn2C)C1 2281986191 QTSSZSLWZZEKRI-MRXNPFEDSA-N 462.400 2.499 30 10 JEEE CCn1cc(C(=O)NC[C@@H]2[C@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)nc1B1OC(C)(C)C(C)(C)O1 2282037083 QXCRKORFDOSJQI-ZMSDIMECSA-N 460.384 2.187 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N=[S@@](C)(=O)CCCCNC(=O)OC(C)(C)C 2282045629 ZMFMWUWZHUMKTN-XIFFEERXSA-N 484.428 2.262 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)[C@H](CO)C1 2282174532 GLVGTQRBOITUKE-PKOBYXMFSA-N 460.380 2.334 30 10 JEEE CC(C)(C)OC(=O)N1CC2(C[C@H](O)CN2C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2282181868 LWMUKUNOAJDJJW-SFHVURJKSA-N 458.364 2.182 30 10 JEEE CC(C)(C)OC(=O)NCC1(CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2F)COC1 2282406721 NYJOLOGZRVXDOI-UHFFFAOYSA-N 464.343 2.396 30 10 JEEE CC(C)(C)OC(=O)N1CCN([S@](C)(=O)=NC(=O)c2occc2B2OC(C)(C)C(C)(C)O2)CC1 2282528730 WMAOSWOQYXRLOG-MGBGTMOVSA-N 483.396 2.285 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@H](CCNC(=O)OC(C)(C)C)C1 2282586864 FDDWNCLTMSBHFG-INIZCTEOSA-N 462.400 2.405 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)[C@]2(CCOC2)C1 2282622566 IFYOEKDGCXFDPX-NPMXOYFQSA-N 462.352 2.477 30 10 JEEE CC(C)(C)OC(=O)N1CC2(CCOCCN2C(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)C1 2282635609 YSNHQAXSHJYEAN-UHFFFAOYSA-N 462.352 2.431 30 10 JEEE CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1O 2282884573 PSUANRCDIQZVJG-AEFFLSMTSA-N 462.352 2.056 30 10 JEEE CC1(C)OB(c2ccc(O)c(C(=O)N3CCC(CNC(=O)C(F)(F)F)CC3)c2)OC1(C)C 2282980362 MRWBIIXAWOSXFL-UHFFFAOYSA-N 456.270 2.222 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H]2CN(C(=O)c3nccnc3B3OC(C)(C)C(C)(C)O3)C[C@@H]2C1 2283069739 SRHBIGRYAXJXGB-CVEARBPZSA-N 458.368 2.105 30 10 JEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2283949637 AZAMODMGCZTZAL-GDBMZVCRSA-N 465.331 2.340 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1CCc2sc(B3OC(C)(C)C(C)(C)O3)cc2C1 2283971032 NVRMSFQFAYPNFR-JKSUJKDBSA-N 478.420 2.302 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1NC(=O)[C@@H](CCC(N)=O)NC(=O)OC(C)(C)C 2284053770 SOVSVRFNOCVVBK-MRXNPFEDSA-N 461.368 2.392 30 10 JEEE Cc1nc(C(=O)N2CC(COCc3ccccc3)(C(=O)O)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2284453079 MSJQHJPRCVOMDE-UHFFFAOYSA-N 472.372 2.494 30 10 JEEE Cc1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NCC1(NC(=O)OC(C)(C)C)COC1 2285976605 SYSKSIQRXPQTLK-UHFFFAOYSA-N 464.343 2.457 30 10 JEEE CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)C(=C(C)NCCc3nnc4ccccn34)C(=O)[C@@]12C 2297591282 FNBPAVUHYVBXMK-SANMLTNESA-N 488.500 2.444 30 10 JEEE COc1ccc(N2C[C@@H](c3nnc(SCCO)n3N=Cc3ccc(O)c([N+](=O)[O-])c3)CC2=O)cc1 2325882297 KDAMLAUNUIAZRQ-HNNXBMFYSA-N 498.521 2.388 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)N1CC[C@](C)(B2OC(C)(C)C(C)(C)O2)C1 2342484406 BVPITUKLNILJEY-BTYIYWSLSA-N 474.429 2.399 30 10 JEEE C#CCn1/c(=N/C(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)sc2cc(Br)ccc21 13791899 OEAGQGRQUWDRMC-JFLJVCDGSA-N 456.387 2.197 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)NCc3ccc(S(=O)(=O)N(CC)CC)cc3)cc2C1=O 15097872 WEYUAQFCRLBLJQ-UHFFFAOYSA-N 455.536 2.429 30 10 JEEE COc1cc(/C=C2/Oc3c(ccc(O)c3CN3CCN(CCO)CC3)C2=O)cc(OC)c1OC 37857390 QVFQDJUKGYKVJE-UDWIEESQSA-N 470.522 2.144 30 10 JEEE Cc1nn(CCO)c(C)c1/C=N/Nc1nc(SCC(=O)NCc2ccc(Cl)cc2)n[nH]1 59887805 XNYZDDTUPIXZIF-LSHDLFTRSA-N 462.967 2.118 30 10 JEEE CCCN1C(=O)[C@]2(/C(=C(/O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCOC)c2ccccc21 111897926 XRHJDDFKPVSQID-VYNOCKSYSA-N 478.501 2.437 30 10 JEEE C=CCn1c(S)nc2cc(C(=O)N[C@@H](C)[C@@H](C)C(=O)Nc3ncccc3O)ccc2c1=O 1183400422 BFADRABSEHRKKS-OLZOCXBDSA-N 453.524 2.365 30 10 JEEE C=CCN(C(=O)Nc1ccc(C)c(S(=O)(=O)N2CCCCC2)c1)[C@@H]1CCS(=O)(=O)C1 1214473817 KXCRXVJBYAKBMR-GOSISDBHSA-N 455.602 2.377 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1CCCNS(C)(=O)=O 1286278261 BREFZIUBSCJSSK-CYBMUJFWSA-N 470.393 2.113 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCS2)c1 1286312411 XTHCFCQZTMBMKX-HKUYNNGSSA-N 473.624 2.132 30 10 JEEE C#CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1286324692 PAVFPVGSDPRJTB-GOSISDBHSA-N 478.644 2.251 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCC(=O)N1CCCCCC1 1286400773 GJPYZLNSBOQILJ-UHFFFAOYSA-N 496.637 2.061 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(C)n(C)c1=O 1286427513 IUEFBSSFIMQGCV-NRFANRHFSA-N 494.596 2.105 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(OC)cc3)n2Cc2cccnc2OC)CC1 1286493271 UCCUHYRXALRHKL-UHFFFAOYSA-N 490.564 2.283 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CCc2nc(C(F)(F)F)cs2)CC1 1286494308 LUCLRPCORHUHHW-UHFFFAOYSA-N 470.521 2.498 30 10 JEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1286494757 OWQDVGNABBKRFT-UHFFFAOYSA-N 450.609 2.087 30 10 JEEE C=CCNC(=O)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1286778689 DBSPRJHINYBKMU-QGZVFWFLSA-N 486.623 2.303 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCS[C@H](C(C)C)C1 1286791693 ZHXKJCRJLPOJLG-ROUUACIJSA-N 494.662 2.467 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2C[C@H](C)N(C)C)C1 1286809274 QNYCAAWGDVMJJD-ZWKOTPCHSA-N 451.575 2.406 30 10 JEEE Cc1nn(C)c(N2CCN(c3nnc([C@@H]4CCS(=O)(=O)C4)n3CC(C)(C)C(C)C)CC2)c1C#N 1290576292 CVRXJSYRKHUGRR-GOSISDBHSA-N 488.662 2.103 30 10 JEEE CCCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1294886697 GWAIGSLQGSZUJY-GOSISDBHSA-N 473.585 2.410 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ccc(N(C)C)nc1 1300283516 NEPSNNQKPNQYGM-QGZVFWFLSA-N 467.599 2.163 30 10 JEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCCCC(F)(F)C1)[C@H]1CCS(=O)(=O)C1 1300479390 NJYHAXSZPIIZML-MSOLQXFVSA-N 483.585 2.356 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1Cc1c(CC)noc1C)[C@H]1CCS(=O)(=O)C1 1300483602 MBQCAJDBPNWUIV-SFHVURJKSA-N 469.567 2.488 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H](C)N(CC)CC)CC1 1300681764 BFKMLDZUWXVVOR-LJQANCHMSA-N 472.037 2.347 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CC(=O)NCC(F)F)CC1 1300683937 UITDZPNDOLXALV-SFHVURJKSA-N 460.529 2.171 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@](C)(OC)C2CC2)CC1 1300699717 GLJQSBATALOHKG-NBGIEHNGSA-N 488.633 2.157 30 10 JEEE C=C(Br)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1300833850 DGAURVLDLKBFLZ-AWEZNQCLSA-N 469.361 2.248 30 10 JEEE C=C(C)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(CC(=O)N2CCc3ccccc32)CC1 1300928424 DOWMUGMPVXHGFN-HXUWFJFHSA-N 468.602 2.290 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N(C)C[C@@H](c1cccs1)N1CCOCC1 1301491042 LCQZOFFVOSIKNE-IBGZPJMESA-N 467.599 2.214 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1301588926 LYCJVJHGYYZBKK-SJORKVTESA-N 467.617 2.463 30 10 JEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 1301611751 HBXNGEGUZDTKHZ-DLBZAZTESA-N 485.676 2.450 30 10 JEEE COCc1ccccc1Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](C#N)C1 1315863517 BOPDDFXEJSRBHG-GOSISDBHSA-N 452.540 2.193 30 10 JEEE C#CCN(c1nnc(-c2cn(C)c3ccccc23)n1CC(C)(C)C(=O)NCC)[C@@H]1CCS(=O)(=O)C1 1358961010 QFEIVAKMOFNJCY-GOSISDBHSA-N 496.637 2.226 30 10 JEEE C#CCN(c1nnc(CCCc2ccccc2)n1Cc1cc(C)on1)[C@@H]1CCS(=O)(=O)C1 1358966449 PFMSQIQOXHQYMQ-OAQYLSRUSA-N 453.568 2.425 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1noc(CC)n1 1358994247 ILNUNZOFENLENR-SFHVURJKSA-N 483.573 2.238 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnccn3)n2C[C@@H]2CCO[C@H](C)C2)n1 1359027855 YCCXJGXANBWZBE-RTBURBONSA-N 450.547 2.033 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCC(=O)Nc2cccc(Cl)c2C)CC1 1359028643 ZDJJRQUWWZQQIV-UHFFFAOYSA-N 484.004 2.260 30 10 JEEE C#CCN1CCN(c2nnc(CSc3ccccc3OC)n2Cc2ccc(C)n(C)c2=O)CC1 1359039434 JBXXWYFHEBVKKW-UHFFFAOYSA-N 478.622 2.390 30 10 JEEE C#CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N(C)CCCS(C)(=O)=O 1359058192 VFCOXULPSADZRP-GOSISDBHSA-N 450.586 2.028 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCOC2)nnc1N(C)CCNS(=O)(=O)c1ccc(C)cc1 1359099765 STCXWKQFULTPLL-ONTIZHBOSA-N 489.642 2.486 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCc2cccc(C)n2)CC1 1359164850 BMMNXZQGAYBULY-FQEVSTJZSA-N 460.604 2.104 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2C[C@H](C)O[C@@H](C)C2)CC1 1359179424 VCEKIPGLZJVMHK-ZWOKBUDYSA-N 467.636 2.217 30 10 JEEE C=CCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1359182486 IASGRSDIZUWRDO-UHFFFAOYSA-N 459.639 2.153 30 10 JEEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCCN(c2ncccc2F)CC1 1359229148 ZZUDWFAEYNWKOS-UHFFFAOYSA-N 457.554 2.244 30 10 JEEE 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 1359240021 DDOIRVQOYBDWRS-KZNAEPCWSA-N 469.652 2.463 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cnn(C)c2)n1CC(=O)NCC(F)(F)F 1359255534 BRKQSSJEPDEBDZ-UHFFFAOYSA-N 458.448 2.421 30 10 JEEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H](N2CCCC2=O)C1 1359301790 LBUAHJVKPCTQKH-INIZCTEOSA-N 458.513 2.041 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1359333904 NKKNSUPWGWXTIR-WOJBJXKFSA-N 479.672 2.078 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@H]3c3ccccc3)C2)ccc1F 1361186597 XYJLCRKHUMEVCY-WSTZPKSXSA-N 457.527 2.177 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2cn(C)nc2-c2ccc(C#N)cc2)s1 1447603557 ZEFMWSJCNNJRLS-UHFFFAOYSA-N 455.565 2.343 30 10 JEEE C[C@@H]1C[C@@H](C)CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCS(=O)(=O)CC2)C1 1493248289 GVENLAUHUUCAQK-QZTJIDSGSA-N 473.599 2.151 30 10 JEEE COC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2(N(C)C)CCOCC2)C1 1503844462 BZXWSEDLTPILOP-FQEVSTJZSA-N 452.559 2.317 30 10 JEEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccnc(SC)c2)CC1=O 1504910312 HPBYCAXQYVQULC-UHFFFAOYSA-N 463.567 2.277 30 10 JEEE C#CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1507554578 ULKXMIOMUPLFQB-IBGZPJMESA-N 469.977 2.221 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1Cc1cccnc1OCCC)[C@H]1CCS(=O)(=O)C1 1507626529 ARVPPKDQMVXKRP-IBGZPJMESA-N 468.583 2.142 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](CCC)OC)[C@@H]1CCS(=O)(=O)C1 1507627508 KAHBIQNZOTZWBG-IAGOWNOFSA-N 451.980 2.435 30 10 JEEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1conc1COC 1507668893 FEFGDQGWHLEPGW-UHFFFAOYSA-N 460.542 2.098 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@]2(C)CCCS2)CC1 1507733620 GFVWIRDQRRWASC-HSZRJFAPSA-N 467.599 2.177 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCSC2(C)C)CC1 1507734165 SMDVSVYQKCNJTO-GOSISDBHSA-N 458.632 2.012 30 10 JEEE C#CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1507751071 DDCATTUTHZRERY-GJZGRUSLSA-N 474.612 2.218 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cc(F)c(F)c(F)c1 1507831817 FYIJGXQCBKQORW-MRXNPFEDSA-N 459.494 2.241 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)Nc1cc(F)cc(F)c1 1507844260 GKYHQYDGJANXQD-HNNXBMFYSA-N 483.541 2.126 30 10 JEEE C=C(Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1nccs1)c1ccccc1 1507851004 DQIKFTGGJJHGQF-GOSISDBHSA-N 474.612 2.417 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1CCN1CCSCC1 1508000421 WESJVGNZHCXRGY-HXUWFJFHSA-N 451.600 2.342 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC(N2CCCNC2=O)CC1 1508078511 CMTZZLNNQXHWAY-UHFFFAOYSA-N 497.600 2.039 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 1508138225 YMBKMPJMIHOOPP-UHFFFAOYSA-N 486.642 2.416 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1539002889 YINXACWSVIWPEH-IJCFDHGGSA-N 456.510 2.115 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCSC1)[C@H]1CCS(=O)(=O)C1 1539206910 WTTVGPIBKYKVGK-YJBOKZPZSA-N 461.569 2.233 30 10 JEEE C#CCN(c1nnc(C2CCCC2)n1CC(=O)N(C)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1539220516 KEEBJMSRCNBMQW-HXUWFJFHSA-N 461.632 2.354 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCN1CCCC[C@@H]1CC)[C@H]1CCS(=O)(=O)C1 1539222851 XLALKVRXEMXWMS-HKBOAZHASA-N 463.648 2.063 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1CCCCN1CCC[C@@H]1CO 1539241583 FFSKQSMDCLXKNU-GOSISDBHSA-N 459.392 2.345 30 10 JEEE C#CCN(CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@H]1CCOC[C@H]1OC 1539377196 MRENHMIRVICMAM-ISKFKSNPSA-N 466.630 2.154 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@H](C)Oc2cccc(OC)c2)CC1 1539480884 FSSOMOOSKCIWMY-ICSRJNTNSA-N 467.570 2.224 30 10 JEEE C=C(Cl)Cn1c(COc2ccc(OC)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1539820439 GFKNHYSWGIVCMR-UHFFFAOYSA-N 455.968 2.136 30 10 JEEE C=CCCOCCn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1540035454 CTJWUOVNQLXDCW-OALUTQOASA-N 465.595 2.495 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(=O)c2ccco2)CC1 1540863086 OUQIJTRHPHXWKZ-KRWDZBQOSA-N 482.516 2.415 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1540874982 XYTQVXUXEOUCOW-UHFFFAOYSA-N 473.537 2.311 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(C)nc3ccccc23)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1540898788 UZOPPADMNGNTLD-QGZVFWFLSA-N 489.623 2.026 30 10 JEEE CC(C)(C)OC(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(CC(N)=O)CC1 1541218695 CALHTHUZQFOIRK-UHFFFAOYSA-N 453.547 2.433 30 10 JEEE COCC(=O)N1CC2(CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)C[C@@H]1C(=O)N(C)C 1548379688 GINFDGZLNDREKV-GOSISDBHSA-N 452.477 2.499 30 10 JEEE N#CC1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC2(C(N)=O)CCOCC2)CC1 1555989984 BZMNVFPHHFDXMX-UHFFFAOYSA-N 462.352 2.058 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(F)cc2Br)n1CCN1CCN(C(C)=O)CC1 1587599477 NWRKAXUXGWNNDA-HNNXBMFYSA-N 477.382 2.469 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1587631755 FWUKEOCTUVHJCB-FHWLQOOXSA-N 494.662 2.132 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCN(c2ccccc2OC)C1 1587640784 VHYOAIHXVPCKPS-FHWLQOOXSA-N 457.600 2.173 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2CCCN2C[C@H](C)O[C@@H](C)C2)c1 1587693324 RHCCQJQTUYIMLB-JAXLGGSGSA-N 480.613 2.338 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1CCn1cc(Cl)cn1)[C@H]1CCS(=O)(=O)C1 1588059320 LVPINVUPEJZQSX-FQEVSTJZSA-N 473.002 2.354 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCS(C)(=O)=O)CC1 1588752397 RNGCXJGWTUEYBH-UHFFFAOYSA-N 466.611 2.152 30 10 JEEE C#CCN1CCN(c2nnc(-c3nn(C(C)C)c(=O)c4ccccc34)n2C[C@H](C)COC)CC1 1588806057 FIYWKELGEKYKMH-IBGZPJMESA-N 463.586 2.274 30 10 JEEE C#CCN1CCN(c2nnc(CSc3ccc(C)cc3)n2CC2(S(C)(=O)=O)CC2)CC1 1588876839 KXQDLDAIOLDIPH-UHFFFAOYSA-N 459.641 2.211 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2Cc2cccnc2OCCOC)CC1 1588930061 MLDGHLLRMOQGLR-UHFFFAOYSA-N 468.602 2.301 30 10 JEEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1ccco1 1593746420 DSFFHAMQQDYTJF-PKOBYXMFSA-N 465.576 2.138 30 10 JEEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1594761084 USWVAFRGHOLJQH-QUCCMNQESA-N 485.658 2.225 30 10 JEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](Cc2ccc(C#N)cc2)C1 1595405248 GIFFUFHUVYVVAU-SFTDATJTSA-N 470.599 2.128 30 10 JEEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCN(C2CCOCC2)CC1 1595476775 NIYRRBKHUBKZLQ-JOCHJYFZSA-N 452.603 2.423 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc3ccccc3o2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1595496925 LDYOTWCFJXBIBA-OAHLLOKOSA-N 476.459 2.498 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1595577127 JPKAKEYIIODNOQ-RTWAWAEBSA-N 455.559 2.160 30 10 JEEE C[C@H](CC(=O)NCC1(NC(=O)OC(C)(C)C)CCC1)/N=C1/NS(=O)(=O)c2ccccc21 1623731560 FDBQGPXTNOUJNQ-CQSZACIVSA-N 450.561 2.067 30 10 JEEE C#CCNC(=O)C1CCN(C(=O)Nc2ccc(Cl)c(S(=O)(=O)N(CC)CC)c2)CC1 1657919394 PWIJQLSLYJWGJG-UHFFFAOYSA-N 454.980 2.364 30 10 JEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H](Cc2ccc(Cl)cc2)C(N)=O)cc1 1673398320 HNHIIZYSATXXON-GOSISDBHSA-N 450.948 2.365 30 10 JEEE C#CCn1ccc(CN(CCOC)C(=O)NCCNC(=O)c2ccccc2C(F)(F)F)n1 1674891546 FNYJNVFKVYRQNK-UHFFFAOYSA-N 451.449 2.123 30 10 JEEE C=CCCSCCNC(=O)N1CCN(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1 1686988093 FVHZVUZXNMXJCJ-UHFFFAOYSA-N 455.625 2.296 30 10 JEEE C#CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1689921028 RILUIDKLFCRJOM-GOSISDBHSA-N 479.006 2.038 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@@]1(O)CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1689994340 WNGKAFOZQUCSFN-GCJKJVERSA-N 462.641 2.498 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCc2ccc(OC)c(F)c2)CC1 1690113304 GCBGSSNSAWBSPS-XMMPIXPASA-N 457.550 2.076 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2C[C@H](C)CN2CCN(CC)CC2)CC1 1690133819 VFZSJLARBQGOEN-JOCHJYFZSA-N 483.636 2.025 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cc(C)ccc2OC(F)F)CC1 1690134689 BNVNROGNESNGGD-UHFFFAOYSA-N 488.539 2.340 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2Cc2c(CC)nn(C)c2CC)CC1 1690141865 DGGZOPYXESDKSU-UHFFFAOYSA-N 462.602 2.156 30 10 JEEE C#CCSCCn1c(N2C[C@H](OC)[C@H](OC)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1690187062 ZKWLRHWRMXGCRR-USTZCAOPSA-N 465.620 2.265 30 10 JEEE C=C(C)Cn1c(N2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)nnc1[C@@]1(OCC)CCOC1 1690297689 CGRFRPUNASBJGG-DENIHFKCSA-N 467.636 2.337 30 10 JEEE C=C(C)COCCn1c(-c2cccc(C)n2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1690309812 LCCFIZDQBYHDLI-UHFFFAOYSA-N 462.558 2.062 30 10 JEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(=O)c2ccsc2)CC1 1690508595 LQTMXRMLJVZICR-IBGZPJMESA-N 493.655 2.187 30 10 JEEE C=CCOc1ccccc1Cn1c(CN2CCCC2=O)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1690683445 LBIGKUVDJVRBQS-FQEVSTJZSA-N 487.626 2.417 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)Sc1ccccc1 1691003057 BLVIHNQZODZJMN-AOIWGVFYSA-N 478.644 2.388 30 10 JEEE CCc1nn(C)c(OC)c1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(S(C)(=O)=O)CC1 1694609095 CPJWNIGOIQSEOQ-UHFFFAOYSA-N 483.598 2.183 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1705477799 SAUAWFHKGJYCLT-BXTJHSDWSA-N 452.964 2.079 30 10 JEEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)Nc2c(C)cccc2C)CC1 1705516097 UKOWHSVTZVERJF-OAQYLSRUSA-N 477.613 2.410 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(OC(F)F)c1 1705534457 IWOFYYANSOGDPT-SFHVURJKSA-N 483.541 2.262 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1ccc(COCC)cc1)[C@H]1CCS(=O)(=O)C1 1705564588 CPNVMYGUXZIEBV-YADHBBJMSA-N 472.611 2.384 30 10 JEEE C#CCN(c1nnc(CCOc2ccccc2)n1CCN1CCCCCC1)[C@@H]1CCS(=O)(=O)C1 1705568345 LQXTZDFPRISVEE-JOCHJYFZSA-N 485.654 2.402 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCN1CCN(C)C(C)(C)C1 1705582201 VYYNTCIIDZBYHU-JOCHJYFZSA-N 497.688 2.491 30 10 JEEE C#CCN(CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC1(S(C)(=O)=O)CCC1 1705617332 QYNMGHXXKWDGFI-UHFFFAOYSA-N 484.670 2.070 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCOc2ccc(C)cc2)CC1 1705642179 JMKSWNYAQBGOGM-UHFFFAOYSA-N 464.595 2.412 30 10 JEEE C#CCSCCn1c(N2CC[C@@]3(CNC(=O)C3)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705665201 MREYRQGRTFRIKA-SAHWJRBASA-N 474.631 2.132 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1705688957 WEVOGMKJGJCEEO-CQSZACIVSA-N 464.324 2.320 30 10 JEEE C=C(C)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1705727898 HMHXAEUOMWLGFZ-GGAORHGYSA-N 454.619 2.459 30 10 JEEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1705787168 JVZGUTUCCKCGOB-UHFFFAOYSA-N 459.639 2.107 30 10 JEEE C=CCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1705889719 ZJNJEHOBKOKGIN-SFHVURJKSA-N 499.641 2.359 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H](C)[C@H](OC)C1 1705895588 LSXDTQDJMAKBEH-CZUORRHYSA-N 451.369 2.210 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1705901982 BJHGNPVAGIDOTJ-AWEZNQCLSA-N 487.413 2.072 30 10 JEEE C=CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C 1705940141 WQSLKBJYTHKFRO-HNNXBMFYSA-N 463.007 2.448 30 10 JEEE CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2scnc2C)CC1 1710329474 CHOMHCPSUURTBZ-UHFFFAOYSA-N 464.599 2.083 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1Cc1ccc(N(C)C)nc1)[C@@H]1CCS(=O)(=O)C1 1722364768 JHJPKNZUQLHFOQ-HXUWFJFHSA-N 482.585 2.144 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@]1(O)CCSC1 1722390184 OYIYJQRYZQUUPY-QFIPXVFZSA-N 457.987 2.192 30 10 JEEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 1722459005 AJCZIXAQYIDURQ-LJQANCHMSA-N 475.640 2.049 30 10 JEEE C=C(Br)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1722481318 YHZFMESCZHUSTR-ZDUSSCGKSA-N 452.744 2.458 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCNC(=O)Cc2cccc(F)c2)CC1 1722581247 IQFVUVYROFXFTG-LJQANCHMSA-N 475.590 2.081 30 10 JEEE C=CC[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cnccn2)CC1)c1ccccc1 1722594017 DQHRGRRWDWYENF-CTNGQTDRSA-N 496.641 2.365 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCC(N(C)C(C)=O)CC1 1722702537 PETILMZTGYXDKX-UHFFFAOYSA-N 454.575 2.223 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CC=C(c2ccc(O)cc2)CC1 1722728192 RRLSSJGWPSCOJW-UHFFFAOYSA-N 452.540 2.335 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)CC2CCCCC2)CC1 1722728320 PRHDMEFHVOPADU-FQEVSTJZSA-N 479.647 2.002 30 10 JEEE C[C@@H]1CCCCN1CCCn1c(COc2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1 1726548186 HFEDVPCJWDALHA-OAQYLSRUSA-N 495.628 2.288 30 10 JEEE COCCN(CCC#N)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H]1CCCN(C(C)=O)C1 1730762544 GHQSQIIONBKIAR-SFHVURJKSA-N 478.557 2.219 30 10 JEEE CS(=O)(=O)NC[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCOc2ncccc2F)C1 1731013933 DMHKRZCSMMYYKO-GOSISDBHSA-N 499.572 2.195 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3csc(C)n3)n2CCCNC(C)=O)c1 1740564358 KPUQYPPKOJNGOE-UHFFFAOYSA-N 465.583 2.216 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@H](SCC)C1 1740591885 QSSKPSIHHPPQRE-ROUUACIJSA-N 455.650 2.136 30 10 JEEE C#CCN(c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1740618662 JPARBOHWIHZHOT-WZONZLPQSA-N 468.583 2.123 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)o2)n1Cc1cccc(C(=O)NCC)c1)[C@H]1CCS(=O)(=O)C1 1740620090 UGXQMKDWEDJOQG-FQEVSTJZSA-N 481.578 2.271 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H]1CCC[C@@H]1OC)[C@H]1CCS(=O)(=O)C1 1740620748 RFPXWGIWKQEAFE-WFXMLNOXSA-N 488.610 2.404 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2CCCN(C(C)C)C2)CC1 1740692860 PYFYPNUTVDTDFA-DHLKQENFSA-N 458.651 2.194 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CC2=CCN(C(=O)OC(C)(C)C)CC2)CC1 1740696417 UDTODJVSBXBYGX-OAQYLSRUSA-N 470.618 2.495 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2CCCCN2CCN(CC)CC2)CC1 1740698127 OZLWBUQLTCXUGD-UHFFFAOYSA-N 455.676 2.103 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCN2CCOC(C)(C)C2)CC1 1740701486 JDWNPMYHWVWRBR-UHFFFAOYSA-N 486.020 2.070 30 10 JEEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1740721671 PRJVTGYSDWKZKZ-NHCUHLMSSA-N 453.568 2.479 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1740750090 LQPMRQQWAKMILR-PXNSSMCTSA-N 484.561 2.027 30 10 JEEE C=C(C)Cn1c(N2CCN(CC(=O)N3CCCC3)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740786329 ZQNRPBQNSDKZHM-BGYRXZFFSA-N 487.649 2.369 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1740794530 CHPWETNBFWMJAA-QUCCMNQESA-N 452.563 2.489 30 10 JEEE C=CCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2cncc3nc(C)nn23)CC1 1740842464 AOEFYZLNKUQMAR-UHFFFAOYSA-N 466.594 2.091 30 10 JEEE C=CCn1c(Cc2ccccc2F)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 1740947570 NOAATHXTWQIKJZ-UHFFFAOYSA-N 451.568 2.071 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N(C)Cc1ccc(Br)s1 1740950914 MQNZXJLIVKDMOD-UHFFFAOYSA-N 455.382 2.179 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 1740957480 PDSZPRGUCSLDSB-QGZVFWFLSA-N 455.563 2.383 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1C[C@H](C)O[C@@H](C)C1 1740959458 WHKXPMKROCQTTR-IRXDYDNUSA-N 465.558 2.152 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@](C)(O)C2CCCCC2)C1 1740972944 PDHYGAFKCBZIGL-CDXJDZJCSA-N 455.625 2.001 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1C[C@H](C)O[C@H](COC)C1 1740987648 WLZRVMAPXQXZJZ-YJBOKZPZSA-N 454.980 2.439 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC(O)(Cc2ccc(F)cc2)CC1 1740990056 HGNDAHOLUSLHGV-UHFFFAOYSA-N 486.573 2.049 30 10 JEEE Cc1nc(CCn2c(-c3cccc(C#N)c3)nnc2N2CCN(C(=O)OCC(C)C)CC2)n[nH]1 1742598221 CVVMTSADWYCFPS-UHFFFAOYSA-N 463.546 2.401 30 10 JEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H](C)CNC(=O)OC(C)(C)C 1748776738 OICCAASGOQKTHO-QGZVFWFLSA-N 490.630 2.426 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCOc1c(C)cccc1C)[C@H]1CCS(=O)(=O)C1 1748811770 LDEWRTBTBZCYPX-FQEVSTJZSA-N 468.583 2.001 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1C[C@H](C)N1CCN(c2ccccc2)CC1)[C@H]1CCS(=O)(=O)C1 1748817160 GAGHHDHXHBJHPJ-UPVQGACJSA-N 498.697 2.314 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ccc(F)c(F)c1 1749158758 LQMCIFWRAVPJDR-LJQANCHMSA-N 485.557 2.371 30 10 JEEE C=C(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1749169130 PMVSBNVJSLPVBU-PMACEKPBSA-N 473.666 2.399 30 10 JEEE C=C(Cl)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(CCOC)[C@@H](C)C1 1749268476 BBDNPUAXMYOYDV-SFHVURJKSA-N 461.014 2.362 30 10 JEEE C=CCN(c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](COC)OC)C1CC1 1749518903 ANHMGIRXWNPVLX-ZWKOTPCHSA-N 451.568 2.403 30 10 JEEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 1749740987 MGVGUKVAUSITIS-NRFANRHFSA-N 497.669 2.263 30 10 JEEE C=CCSCCn1c(CC2CC2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1749762165 RHLYJIDOKLQBTA-UHFFFAOYSA-N 468.674 2.426 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCN(C)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1760186213 BLRPSICVMFBOSZ-QZTJIDSGSA-N 481.619 2.013 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1CCCc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1760186887 GUENASPKIIKXHE-PMACEKPBSA-N 458.584 2.050 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CCC1CC(OCC)C1)[C@H]1CCS(=O)(=O)C1 1760190538 RSTQIYTTZMWWGM-CKHPTIKVSA-N 457.600 2.096 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CC1(COC)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1760193028 RIMBZVLDSIQNNQ-HBMCJLEFSA-N 494.658 2.226 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)cc1OCC1CC1 1760233180 JXXBYCKWYPQSKI-QFIPXVFZSA-N 487.626 2.216 30 10 JEEE C#CCSCCn1c(CCOc2ccccc2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1760283798 ALVRZAKMFIMREC-NRFANRHFSA-N 482.610 2.033 30 10 JEEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1760285071 WUQSPCAYCPRUBV-FQEVSTJZSA-N 465.631 2.401 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1760312940 GVYTVJBTPHBCSG-QRQLOZEOSA-N 467.636 2.191 30 10 JEEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC(F)(F)F)CC1 1760450768 RTHCWNZUGVHWHV-QGZVFWFLSA-N 495.568 2.373 30 10 JEEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1760507686 YCFCZJIUFNBREA-UHFFFAOYSA-N 458.588 2.261 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H]1c1cnn(C)c1 1760514824 GFWFDLHFKKLFON-MRXNPFEDSA-N 459.352 2.413 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC(N2CCNC2=O)CC1 1760516039 IDPXHGLLLSMYJP-LJQANCHMSA-N 481.601 2.331 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1760518838 JFXXWIBCHUCMTQ-UHFFFAOYSA-N 475.475 2.014 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1760559889 VBICJLULLWGDHU-CVEARBPZSA-N 453.590 2.073 30 10 JEEE C=CCN(CC=C)C(=O)[C@@H](CCC)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 1862250838 CPKSHGDKHARICG-HXUWFJFHSA-N 484.018 2.460 30 10 JEEE C=CCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1ccc(OCCCCC)c(OCC)c1 1865722592 VNALSVXKXXIFTN-IBGZPJMESA-N 498.580 2.049 30 10 JEEE Cc1ccc(C)c(S(=O)(=O)Nc2c(C#N)nnn2Cc2cc([N+](=O)[O-])cc3c2OCOC3)c1 1870095654 SINSPTHVHIZCLQ-UHFFFAOYSA-N 470.467 2.390 30 10 JEEE COC(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1ccc(OC(=O)c2ccccc2)c(OC)c1 1874433959 GOHULCJJOMARMI-BRJLIKDPSA-N 497.533 2.289 30 10 JEEE C=C(CNC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC(C)(C)S1(=O)=O)B1OC(C)(C)C(C)(C)O1 1892657263 GCUILIXBDCCHGK-HNNXBMFYSA-N 472.413 2.103 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2CCO[C@@H](CCNC(=O)OC(C)(C)C)C2)C1 2255152528 BYEKXAZDYBTVHV-BNGSBABLSA-N 451.564 2.435 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]1CNS(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2255950156 IFTDKCQYRMCXCP-ZBFHGGJFSA-N 452.382 2.177 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CCNC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C(F)(F)F 2267099025 GSIACZYWTJVHGW-GFCCVEGCSA-N 462.278 2.284 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)cs3)CO[C@H]2C1 2267138343 UKJBQZNHAZKSSA-JYJNAYRXSA-N 464.393 2.411 30 10 JEEE COC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2267364527 AMFQZVQNAPNGCI-UHFFFAOYSA-N 463.336 2.489 30 10 JEEE COC1(CCNC(=O)OC(C)(C)C)CN(C(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)C1 2267479771 PUIFRPJYPFOCPI-UHFFFAOYSA-N 467.397 2.198 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H](C)C[C@H](NC(=O)C(F)(F)F)C1 2267527599 JSKHQYLPHFJNOS-JQWIXIFHSA-N 461.315 2.280 30 10 JEEE CCC[C@H](CNC(=O)OC(C)(C)C)NS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2267704229 KHEKYYFBYJHOAM-MRXNPFEDSA-N 469.413 2.353 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCOC[C@@H]1NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2267729819 QGHDABLQZMPZDD-GJZGRUSLSA-N 488.437 2.008 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@@]2(C[C@H]2C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2268705519 IHRARXISSYMGNC-YEJXKQKISA-N 464.397 2.235 30 10 JEEE Cn1ncc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CCC2(C)C)c1B1OC(C)(C)C(C)(C)O1 2281809658 IRRCOFMLLUNUCT-MRXNPFEDSA-N 462.400 2.485 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@]2(C[C@@H](NC(=O)c3coc(B4OC(C)(C)C(C)(C)O4)c3)CO2)C1 2281832871 TZEALUUZYOOCGN-MWTRTKDXSA-N 462.352 2.477 30 10 JEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCCN(Cc3ccccc3)C(C)(C)C2)n1 2281943325 FLUYAKVHXGJPJZ-UHFFFAOYSA-N 453.396 2.241 30 10 JEEE C[C@H]1CN(C(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)C[C@@H](C)CN1C(=O)OC(C)(C)C 2281979329 CHZAVLRITPYXBT-CVEARBPZSA-N 462.400 2.437 30 10 JEEE CCN(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nn(C)c1C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2281990764 RBAIULLQSYIFSO-MRXNPFEDSA-N 462.400 2.499 30 10 JEEE Cc1c(B2OC(C)(C)C(C)(C)O2)cccc1C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O 2282111191 QURIKGNINPWSKO-LPHOPBHVSA-N 460.380 2.252 30 10 JEEE Cc1ccc(C(=O)N2C[C@H](O)C[C@@H](NC(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2282120579 JBTKBCSIPYLKFJ-QZTJIDSGSA-N 460.380 2.394 30 10 JEEE 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)cnn1C 2282534824 XMHCBQHYPFUTLJ-DOTOQJQBSA-N 462.400 2.437 30 10 JEEE Cc1c(C(=O)N=[S@@](C)(=O)C[C@H](C)NC(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282551601 KSZWYWIHBVKLQD-KMWOBCOYSA-N 484.428 2.179 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@H](NC(=O)C(F)(F)F)C[C@@H]2C)n1 2282554535 FUQDZFVGICMIMA-KBPBESRZSA-N 455.286 2.361 30 10 JEEE C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)CCN1C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2282568868 JHDFLOZITVWPGN-JKSUJKDBSA-N 462.400 2.485 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)C1CCN(C(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)CC1 2282583091 FIDJVWVJEFBSHL-HNNXBMFYSA-N 462.400 2.485 30 10 JEEE CC(C)(C)OC(=O)N1CC2(CC[C@H](CNC(=O)c3csnc3B3OC(C)(C)C(C)(C)O3)O2)C1 2282614914 VSCUGNGQFHJNEU-CQSZACIVSA-N 479.408 2.341 30 10 JEEE CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2289795627 HHHZBQLLPDZFTL-AWEZNQCLSA-N 483.396 2.320 30 10 JEEE COc1ccc(C(O)=C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccncc2)cc1OC 2296930202 GKQKCDBZFAWSIF-QFIPXVFZSA-N 467.522 2.243 30 10 JEEE Cc1c(C=C2SC(=S)N(CCCC(=O)O)C2=O)c(N2C[C@@H](C)O[C@H](C)C2)n(C)c(=O)c1C#N 2314462275 QRGQJQGBHOODIO-CHWSQXEVSA-N 490.607 2.245 30 10 JEEE COc1ccc(N2C[C@H](c3nnc(SCC(N)=O)n3N=Cc3ccccc3)CC2=O)cc1 2325880613 SNYFCNOVMRKVOF-MRXNPFEDSA-N 450.524 2.267 30 10 JEEE C[C@@H](NC(=O)[C@@H]1OCC[C@@H]1NC(=O)OC(C)(C)C)c1nscc1B1OC(C)(C)C(C)(C)O1 2334387016 GTTZHOKRJKVULM-IVMMDQJWSA-N 467.397 2.302 30 10 JEEE C[C@@H](NC(=O)OC(C)(C)C)c1nc(NC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)n[nH]1 2337395735 DGVZIGFHKMHEMD-SNVBAGLBSA-N 464.357 2.398 30 10 JEEE C=CC1(N[C@]2(C(=O)O)CO[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)CN(C(=O)OC(C)(C)C)C1 2350990357 KYTZKDFFKRKREY-GOTSBHOMSA-N 467.563 2.375 30 10 JEEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@H]12 2359281001 ISVWDVQSPZSZOL-RDGPPVDQSA-N 452.364 2.228 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1[C@@H]2CCCCN(C(=O)OC(C)(C)C)[C@H]21 2362356078 NYLGHUQNFYSFBI-ARFHVFGLSA-N 460.384 2.237 30 10 JEEE CC1(C)OB(c2cc(O)c(C(=O)N[C@H](COCc3ccccc3)C(=O)O)cc2F)OC1(C)C 2364922948 NZXPJQUMWUNDKL-GOSISDBHSA-N 459.279 2.230 30 10 JEEE CN(C[C@@H]1CN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CC12CC2)C(=O)OC(C)(C)C 2366020979 BFHQAMPZGOJXRX-OAHLLOKOSA-N 460.384 2.428 30 10 JEEE COc1ccc(CCNC(=O)Cc2ccc(/N=C3\N[C@@H]4CS(=O)(=O)C[C@H]4S3)cc2)cc1OC 20354768 NYRXQCITAVANOY-WIYYLYMNSA-N 489.619 2.095 30 10 JEEE COc1ccc(NC(=O)CSc2nnc(N/N=C/c3ccc(N(C)C)cc3)n2N)c(OC)c1 20527620 IRWUXUQKPHKLAX-FSJBWODESA-N 470.559 2.252 30 10 JEEE COc1cccc(CNC(=O)CSc2nnc(N/N=C/c3ccc(C)cc3)n2N)c1OC 20917163 XQPGHDBWYYENEV-BHGWPJFGSA-N 455.544 2.172 30 10 JEEE COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccccc2[N+](=O)[O-])cc1 102534014 CRWLCJPKWAAHHN-AGGMBTAESA-N 467.478 2.357 30 10 JEEE COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cccnc2)cc1F 102750040 UNQWXHJYUQAHKQ-AGGMBTAESA-N 455.486 2.373 30 10 JEEE Cc1ccc(C)c(-n2c(=C(C#N)C(=O)NCC(C)C)sc(=Cc3cnn4ccccc34)c2=O)c1 729668325 GIVMIHDKWFAVKM-UHFFFAOYSA-N 471.586 2.439 30 10 JEEE N#CC(C(=O)N1CCCC1)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1cccc(Cl)c1 729668365 HLCVTNFWKBGWQX-UHFFFAOYSA-N 475.961 2.326 30 10 JEEE C=CCCC[C@H](C)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 1127430581 YQPPPVNCMOGMTF-SFHVURJKSA-N 451.589 2.019 30 10 JEEE Cc1nc(S(=O)(=O)N2CCC(C(=O)N3CCC[C@H]3[C@@H](C#N)c3ccccc3)CC2)cn1C 1136915301 BGTNDEZYXNCWKI-SFTDATJTSA-N 455.584 2.428 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@H]2OCCC2(C)C)c1 1286310084 WOYPMKFKJXIIJB-LJQANCHMSA-N 452.559 2.288 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1CC(=C)C)[C@@H]1CCS(=O)(=O)C1 1286384045 PEFHTDKIGASKNJ-OAHLLOKOSA-N 452.378 2.249 30 10 JEEE C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@H]1C[C@H]2CC[C@H]1C2)[C@H]1CCS(=O)(=O)C1 1286384255 HAGYSJULOSHUKS-FSGKZVOOSA-N 450.605 2.065 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ccccc1OCC(C)C)[C@H]1CCS(=O)(=O)C1 1286388713 AZYDCIZLIDMSJG-FQEVSTJZSA-N 480.594 2.445 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1286423366 SJNOLYNQOIXZJU-HFZDXXHNSA-N 492.628 2.282 30 10 JEEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(CN2CCCCC2)cc1 1286451539 KXENGJZDEGVNHO-LJQANCHMSA-N 458.632 2.382 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@]2(OC)CCOC2)CC1 1286488876 WUGRZLDZCKCBHO-XMMPIXPASA-N 489.523 2.318 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCc2nccc(C(F)(F)F)n2)CC1 1286489662 BMEMTDQXIFKZTP-UHFFFAOYSA-N 484.486 2.357 30 10 JEEE C#CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1286506820 OESFUHMPQYOTTK-UYAOXDASSA-N 471.631 2.059 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)[C@H](C)CS(C)(=O)=O 1286557988 ZFVRZWBSGSCHKH-QINHECLXSA-N 486.598 2.444 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1286567471 VNXSMOPQMJOPEM-DENIHFKCSA-N 458.632 2.122 30 10 JEEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 1286700768 QWRQNUCFZTUPJB-DOTOQJQBSA-N 462.572 2.217 30 10 JEEE C=CCN(CCOC)c1nnc(-c2cc(F)ccc2Br)n1Cc1nnn(C)n1 1286764841 BRAFKUXRVGDPKQ-UHFFFAOYSA-N 451.304 2.057 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](CNC(=O)Nc2ccc(C)cc2)C1 1286787172 QDLITBPGRSAGMW-LJQANCHMSA-N 491.600 2.327 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1286789187 QCCHFLMPPLYTJR-UHFFFAOYSA-N 479.673 2.474 30 10 JEEE C=CCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC[C@H](NC(=O)CC)C2)cc1 1286797032 QILKHFHGPOMKLP-AZUAARDMSA-N 452.559 2.337 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccccc2S(=O)(=O)N(C)C)C1 1286811113 ZTFBHNHABCFGLK-UXHICEINSA-N 475.615 2.252 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2CC)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1286823963 RTEPPHOSMWKRQW-RTBURBONSA-N 476.555 2.134 30 10 JEEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](CC(C)C)C1 1286832332 RVJWXRGODSZQOU-ROUUACIJSA-N 457.666 2.403 30 10 JEEE C[C@H](C#N)CN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCCS(=O)(=O)C1 1286959885 BMEBJOZOLGEPQI-OLZOCXBDSA-N 455.382 2.456 30 10 JEEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1CCC(=O)N1CCOCC1 1300323398 ZNAZWRMQOHBUMT-INIZCTEOSA-N 476.375 2.326 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCCOC2)c1 1300332189 ZPCSTMHLPSVASD-IBGZPJMESA-N 473.537 2.408 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(Br)c2)n1CCNC(=O)c1cc[nH]n1 1300559050 IICKMDVSMMWIRK-UHFFFAOYSA-N 466.343 2.324 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H]1CCOc2ccccc21 1300578159 IFFWQXADXZKMEZ-REWPJTCUSA-N 497.621 2.030 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1300904898 HUQCLGIMDZSYOY-FQEVSTJZSA-N 456.515 2.499 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 1300952312 QHUPCBJLSAXYCT-UYAOXDASSA-N 491.589 2.426 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CN2CCCC2=O)n1C[C@H]1CCS(=O)(=O)C1 1301338493 ZSNRIKHPKDNKJP-LJQANCHMSA-N 473.599 2.036 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1COCCO1 1301341219 KWCLPMUCLQZEQJ-FKBYEOEOSA-N 453.543 2.482 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CC2(N(C)C)Cc3ccccc3C2)C1 1301536247 SOCGAGDJKRNMIC-OAQYLSRUSA-N 452.603 2.297 30 10 JEEE C=CCSCCn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1301612433 MACSVIDLOJYIHL-ZWKOTPCHSA-N 459.620 2.489 30 10 JEEE Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccnn1-c1ccc(C#N)cc1 1353622684 CIJNCFDXENMPHJ-UHFFFAOYSA-N 451.508 2.326 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H](C)N1CCN(CC)CC1 1358874705 AZRKLKKFRCRWHF-RTBURBONSA-N 486.690 2.031 30 10 JEEE C#CCCCn1c(-c2cccc(OC)c2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1358922613 LEAHVQCBGWOBOE-AUSIDOKSSA-N 450.587 2.356 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2cccnc2)n1C[C@@H]1C[C@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1358980044 GTGJVDYJDDIDEG-FKBYEOEOSA-N 476.581 2.361 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCC(=O)NCCC 1358998770 RYMPHJQISUFGIK-KDURUIRLSA-N 456.591 2.428 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2(COC)CCCCC2)CC1 1359040131 JMEYSUMUKDQFKR-UHFFFAOYSA-N 493.612 2.488 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](c2cccc(F)c2)N(C)C)CC1 1359044050 SPCKVRBVWOYLCL-QFIPXVFZSA-N 478.576 2.086 30 10 JEEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1359050762 BYQCERHXWZUUGW-CVDCTZTESA-N 477.638 2.172 30 10 JEEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCCN(c2nc(CC)ns2)CC1 1359221611 HSWKMXHAYCMWQC-UHFFFAOYSA-N 474.635 2.237 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC=CO1 1359259435 WKMWXHXJWYAPRU-LEWJYISDSA-N 473.599 2.496 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c(-c2cnccn2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1)C(C)C 1359266255 XGNARDJJMXRMMT-CEWLAPEOSA-N 450.591 2.149 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCS[C@H](C)C1 1359298865 OADZWMXVHXPLEB-MRXNPFEDSA-N 467.599 2.480 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(Cc2csc(C)n2)CC1 1359304457 YOFQIYWWUGEJJW-UHFFFAOYSA-N 492.609 2.118 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(Cc3cccnc3)n2C[C@H](N2CCOCC2)C(F)(F)F)C1 1359322833 CMNOOTBLLZAJPR-OALUTQOASA-N 466.508 2.308 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC2CCN(C(=O)OC)CC2)C1 1359327294 YADPUZKKBULSRE-ZCNNSNEGSA-N 463.579 2.262 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCSC(C)(C)C1 1359331286 UFOUYHLJQORBKG-UHFFFAOYSA-N 488.639 2.125 30 10 JEEE C=CCSCCn1c(-c2ccccc2OC)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1359340386 LLNWKUUUQYUZKT-UHFFFAOYSA-N 456.572 2.394 30 10 JEEE CC(C)NC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1360288839 IEZIGPTZEWRNQT-GOSISDBHSA-N 453.547 2.445 30 10 JEEE Cc1ccccc1C(=O)NC1CCN(C(=O)CN2CCN(c3ccsc3C#N)CC2)CC1 1473639891 BGYNHLPUUBUGPK-UHFFFAOYSA-N 451.596 2.471 30 10 JEEE C#CCCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1507595474 QULCCSQZKNQRCV-UHFFFAOYSA-N 491.600 2.038 30 10 JEEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CC[C@@H](F)C1)[C@H]1CCS(=O)(=O)C1 1507626496 OCQJXEDAXVLXOJ-QRQLOZEOSA-N 494.614 2.114 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)o2)n1Cc1nccn1C(F)F)[C@H]1CCS(=O)(=O)C1 1507626591 GKUIGCYADNSGJO-AWEZNQCLSA-N 450.471 2.113 30 10 JEEE C#CCN(c1nnc(C2CCCC2)n1Cc1cccc(OCC(=O)N(C)C)c1)[C@@H]1CCS(=O)(=O)C1 1507631637 FQUCLXVCCYYWMU-OAQYLSRUSA-N 499.637 2.078 30 10 JEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1C[C@H]1CCN(CC)C1)[C@@H]1CCS(=O)(=O)C1 1507635520 WQBYLVPLXPECCE-PZJWPPBQSA-N 476.046 2.491 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](c2ccco2)N(CC)CC)CC1 1507733108 OPSVDBCXDCLEHY-NRFANRHFSA-N 495.628 2.156 30 10 JEEE C#CCSCCn1c(N2CCC[C@H](CN3CCOCC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1507758577 PQZHILICMIEHJM-QPPBQGQZSA-N 477.675 2.234 30 10 JEEE C=C(C)Cn1c(N2CCC[C@H](n3ccc(C(=O)NC)n3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1507835223 QHSVPBRYROVLQG-FDDCHVKYSA-N 457.579 2.292 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1508082563 UHXFTFONKKAGAV-QGZVFWFLSA-N 455.563 2.336 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)c2cccc(Cl)c2)CC1 1508096289 FMLKBDAWGREOGR-GOSISDBHSA-N 458.950 2.048 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCC(N(C)C(C)=O)CC1 1508105428 NOEPTGXUXQSMMG-UHFFFAOYSA-N 454.575 2.477 30 10 JEEE C=CCSCCn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1508160473 UPQGXMKXVXNUDG-ROUUACIJSA-N 455.650 2.096 30 10 JEEE Cn1nncc1Cn1c(COc2ccc(Br)cc2)nnc1N1CC[C@](F)(C#N)C1 1517426792 DRLJCZNZARVJGG-SFHVURJKSA-N 461.299 2.238 30 10 JEEE C#CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1539060108 YIUFWKSILLBXLA-HXUWFJFHSA-N 468.587 2.128 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1Cc1nnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1539202859 LQGJPAGOMXAKLQ-WMLDXEAASA-N 490.586 2.392 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1Cc1ccc(OC)nc1)[C@H]1CCS(=O)(=O)C1 1539210276 AWDGPWJGKGNLGU-IBGZPJMESA-N 467.551 2.032 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@](C)(O)c1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 1539223186 ZKUNONVMCCIXAN-IEGUWTFLSA-N 493.029 2.360 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(OC)nc1OC 1539266366 PFIBNXHNCNOOLA-LJQANCHMSA-N 496.568 2.120 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCN1C[C@H](C)O[C@H](C)C1 1539311980 FTDFXMKYMARWTA-OYRHEFFESA-N 497.669 2.200 30 10 JEEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2CCS(=O)(=O)C(C)(C)C)CC1 1539459310 CYSONCNTXZSLKJ-UHFFFAOYSA-N 459.616 2.134 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1CC[C@H](N2CCCC2=O)C1 1540875431 LPLXTDVKHZBSDK-KRWDZBQOSA-N 470.599 2.082 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1540902125 BCLCMPALUNRPFL-GOSISDBHSA-N 490.586 2.008 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC(C)(C)OC[C@@H]1C 1540903439 DVOGVZGGIYWETE-LPHOPBHVSA-N 462.572 2.395 30 10 JEEE CC(C)(C)OC(=O)N1CCC(c2nnc(N3CC[C@](F)(C#N)C3)n2CC(=O)NCC(F)F)CC1 1541200380 FGWWHWGAGXMXQN-NRFANRHFSA-N 485.511 2.216 30 10 JEEE C[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1)N(C)C 1541848003 CRRVEAWSLAJVBZ-CRAIPNDOSA-N 456.982 2.031 30 10 JEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@]2(C)CCN(C(=O)OCc3ccccc3)C2)c1 1556445824 LMGLDVAISHXRCW-HSZRJFAPSA-N 455.536 2.129 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCc1ccccc1OCC)[C@H]1CCS(=O)(=O)C1 1588055261 ULQOFTAMVQCLFQ-SFTDATJTSA-N 472.611 2.440 30 10 JEEE C#CCN(c1nnc(CSc2ccc(C)cc2)n1CCCNC(C)=O)[C@H]1CCS(=O)(=O)C1 1588073830 FLVHPHCEYNDSRM-IBGZPJMESA-N 475.640 2.032 30 10 JEEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1588993171 FLMOUVLWMVZEMS-DEOSSOPVSA-N 498.609 2.143 30 10 JEEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCN(c2cccnn2)CC1 1589305116 MQDPMXYADGNZQA-HNNXBMFYSA-N 452.357 2.027 30 10 JEEE C=C(C)COCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@@H](COC(C)C)C1 1593735922 UMQNQSZQTHQIHR-LJQANCHMSA-N 482.585 2.415 30 10 JEEE C=CCN(CC=C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@]1(O)CCO[C@@H]1C 1595179118 YNPVLGQHOCUHRG-VGOFRKELSA-N 460.604 2.265 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1595648551 FGAVMCCIYBWKFB-HBFSDRIKSA-N 474.631 2.174 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCN(C2Cc3ccccc3C2)CC1 1595804529 BLPYVMKKGZNZQP-UHFFFAOYSA-N 457.644 2.367 30 10 JEEE C=CCSCCn1c(Cc2csc(C)n2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1595895664 NPYVFPSDEIXWEQ-UHFFFAOYSA-N 458.617 2.140 30 10 JEEE C#CCCC1(CCC(=O)N(C)CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)N=N1 1615612281 GCZQQKMSTAUTQL-UHFFFAOYSA-N 495.989 2.114 30 10 JEEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCSC2)CC1=O 1619951652 HPZLVFJTONZVIT-LJQANCHMSA-N 470.599 2.167 30 10 JEEE C#CCOc1ccc(NC(=O)NCC[C@@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)cc1 1668520189 UCSWMWNEKCYFNV-GOSISDBHSA-N 451.545 2.244 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C)ccc1OC(F)F 1689853810 YTPFLJRDUOXDAO-MAUKXSAKSA-N 483.541 2.027 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@H]2NC(=O)CC2(C)C)CC1 1690139986 HHVUVOMRRNXGBV-HXUWFJFHSA-N 499.015 2.488 30 10 JEEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 1690183104 MDYHHHKTCKWAGX-GOSISDBHSA-N 487.655 2.351 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1690245652 LESRSYWIYWFNPD-NFBKMPQASA-N 467.618 2.276 30 10 JEEE C=CCCOCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(NC(C)=O)CC1 1690508824 QIXDQTZESRXTFE-HXUWFJFHSA-N 492.621 2.284 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N(C)CCn1cccn1 1690661912 LBCZDABOKZDJES-UHFFFAOYSA-N 462.327 2.482 30 10 JEEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(CCOC)[C@H](CC)C1 1690667769 HIDYDSWQRPUUSI-LJQANCHMSA-N 465.602 2.286 30 10 JEEE C=CCSCCn1c(C2CCCC2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1690744584 QCMRIGFNYTYZGB-UHFFFAOYSA-N 479.676 2.408 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@H]2CCC[C@H](O)C2)c1 1705504187 PDKZLILPDZUGCZ-ICSRJNTNSA-N 452.559 2.024 30 10 JEEE C#CCCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(C(=O)COC)CC1 1705515706 KQERQEDMZJMNIX-FQEVSTJZSA-N 488.633 2.491 30 10 JEEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCCC)[C@H]1CCS(=O)(=O)C1 1705562198 YSMDXQKBSRCLEW-SFHVURJKSA-N 464.613 2.166 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@]1(O)CCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1705569649 FLYJKBFEQRRKQW-LYHRCORUSA-N 460.575 2.186 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cc(C)on1 1705628959 TUYPRJYHFQHMBA-SFHVURJKSA-N 460.535 2.017 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@]2(O)CCO[C@H]2C)CC1 1705645117 LGDCWHGUKHZCIN-DPOKWSEZSA-N 485.560 2.063 30 10 JEEE C=C(C)COCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](COC)O[C@H](C)C1 1705737039 IQHMRSMKRHYJSU-AABGKKOBSA-N 495.621 2.419 30 10 JEEE C=C(C)COCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1705738190 OZKQWBCKKPRDAF-SFHVURJKSA-N 472.615 2.413 30 10 JEEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1705829787 CATIBHGJFGFASO-WWNPGLIZSA-N 474.650 2.144 30 10 JEEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)CC(C)(C)C1 1705830427 PINRQJRXAFNFEE-ROUUACIJSA-N 455.625 2.076 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CCC(CCC(N)=O)CC1 1705895442 HFYVAXFGPGAKBL-UHFFFAOYSA-N 475.391 2.492 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@H](C)[C@H](OC)C1 1705895589 LSXDTQDJMAKBEH-XJKSGUPXSA-N 451.369 2.210 30 10 JEEE C=CCOc1ccc(Cn2c(N3CCC[C@@H](C(N)=O)C3)nnc2[C@]2(OCC)CCOC2)cc1 1705911008 VOQJGDKXEVIAAW-DVECYGJZSA-N 455.559 2.245 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCS(=O)(=O)c2ccccc2)C1 1705914360 MOACZONLKOBDCI-GOSISDBHSA-N 482.566 2.181 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N(C)[C@H]1CCN(Cc2ccccc2)C1 1705932779 ZHFSJOALYQTQKO-FQEVSTJZSA-N 467.599 2.047 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H]2CCC[C@H]21 1705935990 HOCHTZKCLSPYFP-KURKYZTESA-N 481.619 2.176 30 10 JEEE C=CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(C(C)=O)CC1 1705944997 AKXJETILJXHSCI-UHFFFAOYSA-N 456.620 2.040 30 10 JEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1722326766 WHWGBMPOZBGDTI-GOSISDBHSA-N 459.572 2.477 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCCOCC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1722360646 BLTSJYGASYGQKC-QHCPKHFHSA-N 497.621 2.277 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccccc1C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1722366591 IWFGEJRJGZRLEW-SJORKVTESA-N 468.501 2.476 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1CCCCS1(=O)=O 1722419514 ANFSODSORHEILV-FQEVSTJZSA-N 462.572 2.016 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2)n1CCN/C(O)=C1/N=CC=CC1=O 1722420193 HTZSHGKLMPZWIN-VZCXRCSSSA-N 454.918 2.211 30 10 JEEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1722600468 NRFPGOHEHZHOBY-INIZCTEOSA-N 456.613 2.302 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 1722699141 RRGJHEHZGARIIG-XMSQKQJNSA-N 496.612 2.470 30 10 JEEE C[C@H]1CN(C(C)(C)Cn2c(CN3CCCC3=O)nnc2N(CCC#N)CC2CC2)C[C@H](C)O1 1726637517 BEOUXXLODOYZCD-OALUTQOASA-N 457.623 2.418 30 10 JEEE N#CCC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)N2CCSCC2)CC1 1731189272 FUBFJMCXWXOCRZ-UHFFFAOYSA-N 485.639 2.325 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2CCN2CCOCC2(C)C)c1 1740564196 DUKYXRDROHBWCY-UHFFFAOYSA-N 487.608 2.431 30 10 JEEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1cccc(C(=O)N(C)C)c1)[C@@H]1CCS(=O)(=O)C1 1740616830 HUXSYPWDBVRBKZ-FXAWDEMLSA-N 457.600 2.168 30 10 JEEE C#CCN(c1nnc([C@@H](C)CC)n1CCn1cc(Br)cn1)[C@@H]1CCS(=O)(=O)C1 1740617757 WXUWPPRONWVBBS-GOEBONIOSA-N 469.409 2.078 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1CC(F)(F)C1(OC)CCOCC1)[C@H]1CCS(=O)(=O)C1 1740617849 XYXKQIKJRUSWSH-SJORKVTESA-N 474.574 2.249 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@@H]1CSCCS1)[C@@H]1CCS(=O)(=O)C1 1740619134 MMQQUHRBZZFBLI-IEBWSBKVSA-N 478.665 2.429 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1Cc1nnc(C(C)(C)C)s1)[C@H]1CCS(=O)(=O)C1 1740619892 ARKNIOKPWSXKBK-HNNXBMFYSA-N 473.628 2.108 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@H](OC)C(C)C)CC1 1740698073 RFQCHRDFSKNXGX-NRFANRHFSA-N 457.575 2.397 30 10 JEEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2CC[S@@](=O)C(C)(C)C)CC1 1740698202 AALMRXZYENTWMC-JGCGQSQUSA-N 457.644 2.374 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CCOC)C(=O)C1 1740757122 SRJCQUAJEUFVEK-FXAWDEMLSA-N 460.966 2.270 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCO[C@H](c2ccc(F)c(F)c2)C1 1740961844 KFZYDRUGFHQPAX-FQEVSTJZSA-N 454.481 2.422 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC(Cn2ccnn2)CC1 1740963406 JUGXPEDXTVDPLR-UHFFFAOYSA-N 464.574 2.284 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1740984547 DQMLYLIZXXXLSZ-XMSQKQJNSA-N 478.640 2.210 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCNS(=O)(=O)c1ccc(C)s1 1748641382 GHIMSXFWWPNFJQ-HRAATJIYSA-N 481.644 2.125 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@H](C)N1CCOCC1 1748843042 YQXRWMKZUGXMSH-FQEVSTJZSA-N 473.581 2.029 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1CCN(CCN(C)C)CC1 1748882489 VEUIXRGNHHZRLT-UHFFFAOYSA-N 496.681 2.085 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2cnccc2OC)CC1 1749006447 NUWVLRXQMUULMA-UHFFFAOYSA-N 465.945 2.411 30 10 JEEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 1749210862 PMFFPQPEALOILZ-KRWDZBQOSA-N 450.584 2.360 30 10 JEEE C=C(C)COCCn1c(N2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)nnc1[C@@]1(OCC)CCOC1 1749239503 LZLYYRZWHJOPON-BZRIBIQUSA-N 450.580 2.296 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1749651604 YUPILXMTHLIFMI-SJLPKXTDSA-N 456.522 2.061 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1749680866 TZIRBUYWYRSUNM-OAQYLSRUSA-N 468.602 2.016 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1C 1749689828 KWSLARFGOVLJMX-PXNSSMCTSA-N 461.588 2.213 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1749698342 TZPVFVNTJWGLLH-PXNSSMCTSA-N 497.415 2.039 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 1760116677 IYSFTCAUMLCLPL-BZSNNMDCSA-N 477.631 2.428 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@](C)(O)CCC)c1 1760126597 CYINYRXWVLJDKL-XMMPIXPASA-N 452.559 2.121 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CCCN2CCC(C)CC2)c1 1760128328 FNVSUHKHIZJMDC-QFIPXVFZSA-N 477.613 2.407 30 10 JEEE C#CCN(c1nnc(COc2ccc(Br)cc2)n1C[C@@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1760191265 DOQKYDAMTFPRRB-NVXWUHKLSA-N 497.415 2.281 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CSCCS1 1760196185 FFZMJCRZLUSZCT-SFHVURJKSA-N 475.665 2.117 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@H]2CCOC[C@H]2OC)CC1 1760256158 FCFFOQWEGQOHSI-CNNODRBYSA-N 457.550 2.364 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2CCCN2CCCCC2=O)CC1 1760262018 GEYSMCUYNHAKHY-UHFFFAOYSA-N 450.587 2.035 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2Cc2ccc(C(N)=O)nc2)CC1 1760269745 DEGUOHAFTQKKMX-UHFFFAOYSA-N 491.983 2.030 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccs1 1760322164 ORSPBLSZMLWTGA-QRQLOZEOSA-N 481.644 2.290 30 10 JEEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1760507608 SCHNHDZFJZVHEB-QGZVFWFLSA-N 460.604 2.075 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCN([C@@H](C)c2nc(CC)no2)CC1 1760524948 OOUYMAKNRBUEKC-IBGZPJMESA-N 478.601 2.308 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1760552547 RURJKUKNAJFNBG-GOSISDBHSA-N 477.606 2.375 30 10 JEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl 1760557646 SKNOCQVATCKLGO-KBXCAEBGSA-N 476.430 2.021 30 10 JEEE CC[C@H](C)NC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(N2CCNC2=O)CC1 1762050222 CKYADFAWRLNXHN-SFHVURJKSA-N 494.600 2.028 30 10 JEEE CCC(CC)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C(N)=O)C1)N1CCOCC1 1762158303 IAGSGLHVGNAZTQ-FGZHOGPDSA-N 465.602 2.265 30 10 JEEE CC[C@H](C)[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1763399901 BHDFGNHEMJWOHJ-AVRWGWEMSA-N 465.602 2.014 30 10 JEEE CCCOc1ncccc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1766306843 AEGWGUCBYBKLJN-FQEVSTJZSA-N 461.526 2.000 30 10 JEEE COCCN(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1771076601 GJEWJGDGJOFRRX-YADHBBJMSA-N 454.575 2.169 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)COc3cccnc3NC(=O)N3CCC(=O)CC3)cc21 1858829449 LTDVAOVTEJICFN-UHFFFAOYSA-N 464.478 2.452 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc3c(c2)OCCO3)cc1 1862695127 AZSFKQAQDUWFQV-QHCPKHFHSA-N 480.517 2.377 30 10 JEEE Cc1cc(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)Nc2cccc(C#N)c2)cc(S(N)(=O)=O)c1 1867238380 WRWLSUDKVIKJKV-QFIPXVFZSA-N 478.530 2.200 30 10 JEEE C=CCN(CC=C)c1nc(NC(=O)c2cccc(NC(C)=O)c2)n([C@H]2CCS(=O)(=O)C2)n1 1870005147 YMLJUYLWHASRKK-SFHVURJKSA-N 458.544 2.027 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)Cn2cnc3c(nnn3Cc3cccc(C)c3)c2=O)nc1C 1870104034 NNAMWGIVKNMKEH-UHFFFAOYSA-N 479.522 2.091 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NC[C@@H]2CCCO2)cn1Cc1cccnc1 1870543849 VRNRLGMHVLKNOO-QFIPXVFZSA-N 452.555 2.140 30 10 JEEE C=CCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NC[C@H](C)O)ncnc21 1875229716 CHYGBGPSQMMSEM-KRWDZBQOSA-N 450.543 2.381 30 10 JEEE CN(c1cc(C#N)ccn1)C1CCN(C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)CC1 1891254362 GIEPNARJKUVNRD-UHFFFAOYSA-N 453.568 2.479 30 10 JEEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H]1C(=O)N1CCC(COc2ncccc2C#N)CC1 1892001332 KUVVBFSUTXKNKG-LJQANCHMSA-N 473.555 2.029 30 10 JEEE N#Cc1cccnc1N1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)COc2ccccc2)CC1 1892335416 YNPFPTVMCICJLS-DEOSSOPVSA-N 469.545 2.408 30 10 JEEE Cc1nc(I)c(NC(=O)[C@H](C#N)C2CC2)c(I)n1 2058132087 HBJWZYNHQSZELP-SSDOTTSWSA-N 468.036 2.483 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)NCC[C@@H](NC(=O)OC(C)(C)C)C(=O)O 2059767507 MAJFIXQTTUGECD-LSDHHAIUSA-N 456.540 2.448 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@@H](C(=O)NCc2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2180981251 RWUYKVNKKQJXHZ-SFHVURJKSA-N 460.380 2.486 30 10 JEEE CC(C)(C)OC(=O)NCC[S@](C)(=O)=NC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2247840220 JLDQOXLNSUMTBQ-PMERELPUSA-N 459.399 2.205 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@H](NC(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2255707792 ARUIBYXLVYCXCS-CQSZACIVSA-N 452.382 2.413 30 10 JEEE C[C@@H](C[S@@](C)(=O)=NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1)NC(=O)OC(C)(C)C 2255863403 NPVMCSZFZFXEDG-CQMWEUJXSA-N 455.386 2.465 30 10 JEEE CC(C)[C@H]1C[C@@]1(NC(=O)OC(C)(C)C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2256668486 AZQGHBSGKJXNFP-ODXCJYRJSA-N 452.386 2.137 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2C(CNS(=O)(=O)c3sccc3B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2267368209 FSMMPTOLMAXGNH-GJZGRUSLSA-N 484.449 2.439 30 10 JEEE CN(CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)C(=O)[C@@H]1C[C@H]1B1OC(C)(C)C(C)(C)O1 2267580385 GAGZUIWBLLSHMK-HZPDHXFCSA-N 451.373 2.006 30 10 JEEE C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CN1S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2267702651 JTICDRYCXRHUQQ-GDBMZVCRSA-N 467.397 2.057 30 10 JEEE Cn1nc(C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)cc1NC(=O)OC(C)(C)C 2268631152 UJCKMOBTHAWJKQ-UHFFFAOYSA-N 463.369 2.453 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H](CN(C)Cc1ccccc1)C(=O)O 2269044785 CNNBUBSJFSOKEX-MRXNPFEDSA-N 459.377 2.066 30 10 JEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1F 2281787060 YQQAGJYLGVRACP-ZWKOTPCHSA-N 464.343 2.489 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1C(F)(F)F 2281978476 DKSXXXKNNHUYMU-WCQYABFASA-N 474.289 2.237 30 10 JEEE Cn1cc(C(=O)N2CC3(CCC[C@@H]3NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2281980441 JMEVLUGJUWMICF-INIZCTEOSA-N 460.384 2.239 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](O)CN1C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2281995746 HAPBPAQKSLLVLW-LSDHHAIUSA-N 481.786 2.134 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C(F)(F)F 2282005769 RBJAVRDOQONUHD-LBPRGKRZSA-N 476.305 2.213 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)CC(F)(F)C1 2282179475 MWHZVFKRIWWJIR-CYBMUJFWSA-N 468.310 2.150 30 10 JEEE Cc1ccc(S(=O)(=O)N2C[C@@H]3C(NC(=O)OC(C)(C)C)[C@H]3C2)c(B2OC(C)(C)C(C)(C)O2)c1 2282308670 UVWDXIJQFBAEBW-HOTGVXAUSA-N 478.420 2.438 30 10 JEEE C[C@H](CNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)o1)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 2282626363 GHWKBIHDIHJINM-IQMFZBJNSA-N 464.368 2.317 30 10 JEEE CC(C)(C)OC(=O)N1CC2(C1)CS(=O)(=O)CCN2C(=O)[C@H]1C[C@H](B2OC(C)(C)C(C)(C)O2)C1 2282636949 SEFWKIXETOHNEO-WKILWMFISA-N 484.424 2.105 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)[C@H]2CCC[C@@H]21 2283059723 FMRZFLMIUMKXKV-PMPSAXMXSA-N 458.368 2.294 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)N1Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C1 2283964871 UYJNAMFGDZZMAY-OALUTQOASA-N 458.364 2.198 30 10 JEEE COC[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)N(C(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)C1 2289597594 TWERPMIGZQBQIC-HUUCEWRRSA-N 481.424 2.444 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@]1(C)CCN(C(=O)OCc2ccccc2)C1 2315601574 GFJFOQRNYHIJKZ-XMMPIXPASA-N 468.363 2.250 30 10 JEEE COC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1N=Cc1ccc(OC)cc1OC 2329035205 FLRIEIPHCVHLLJ-HNNXBMFYSA-N 461.544 2.167 30 10 JEEE CC(=O)NCc1nnc(SCC(=O)Nc2ccc(F)cc2)n1N=Cc1ccc(C(=O)O)cc1 2330731407 AFTJOBPQDKNLRY-UHFFFAOYSA-N 470.486 2.365 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H]3[C@H](CCN3Cc3ccccc3)C2)n1C 2362490332 QXWNPAVQILNJJP-WOJBJXKFSA-N 450.392 2.374 30 10 JEEE COc1ccc(CNc2c(/C=C3/SC(=S)N(CC(=O)O)C3=O)c(C)c(C#N)c(=O)n2C)cc1 39851558 HUGZXRHMSLZVCB-CAOOACKPSA-N 484.559 2.472 30 10 JEEE COCCn1cc(/C=N/Nc2nc(SCCC(=O)Nc3cc(OC)cc(OC)c3)n[nH]2)cn1 59887409 GQLLTODCNCCJEJ-SRZZPIQSSA-N 474.547 2.232 30 10 JEEE CCCCCCn1c(NN/C=C2/C=C(Br)C=CC2=O)nc2c1c(=O)[nH]c(=O)n2C 136952559 FABIZMDVORWXIK-QXMHVHEDSA-N 463.336 2.222 30 10 JEEE CC(=O)OCC(=O)[C@]1(O)[C@@H](C)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 254294309 ISSQQUKLQJHHOR-XCBBMPDUSA-N 452.494 2.415 30 10 JEEE CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)NCc1ccc(C#N)cc1F 609231419 UTMZKMGJZOIBGK-NRFANRHFSA-N 461.515 2.478 30 10 JEEE CCCCCCCCCO[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1NC(C)=O 616582236 NNNCCZODQRUEHT-FWKCKQQBSA-N 473.563 2.410 30 10 JEEE COc1ccc(CNC(=O)CSc2n[nH]c(NN=Cc3cnn(C(C)C)c3)n2)cc1OC 1084509448 COZGGMDIYJOWFW-UHFFFAOYSA-N 458.548 2.454 30 10 JEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2CCCS(=O)(=O)[C@]2(C(F)(F)F)C1 1181103357 JWNYTEDSHJGZEL-SUNYJGFJSA-N 452.495 2.261 30 10 JEEE Cn1nccc1[C@H](O)C1CCN(S(=O)(=O)c2cc(Br)c(C#N)cc2F)CC1 1213202151 GIBAFSIGURCPNM-QGZVFWFLSA-N 457.325 2.328 30 10 JEEE C#CCCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1286316994 AHBRMNYXMPVPIN-SFHVURJKSA-N 466.542 2.239 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H](C)Oc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1286387198 OTICLASZFZRFCP-RTBURBONSA-N 483.594 2.386 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1CC1(S(C)(=O)=O)CCCC1 1286415713 KHSFIQNUVHCXIN-UHFFFAOYSA-N 451.552 2.159 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(Br)cc2Cl)n1CCS(C)(=O)=O 1286460407 NAXRUINFJYNQMZ-UHFFFAOYSA-N 475.796 2.492 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)s3)n2CCS(=O)(=O)CC2CC2)CC1 1286475226 UCEDOWOHVHYNOM-UHFFFAOYSA-N 498.472 2.349 30 10 JEEE C#CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1286498956 GHJPNQZZBIEATH-SFHVURJKSA-N 476.624 2.486 30 10 JEEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C2CC2)C1 1286592462 GQHXFTGEMRDDAH-FGTMMUONSA-N 465.620 2.496 30 10 JEEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1286775070 YISITWZUGWZVPR-IRXDYDNUSA-N 453.609 2.450 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CCOc2ccccc2)CC1 1286783283 JCJVWYGDWDTVJD-UHFFFAOYSA-N 481.988 2.497 30 10 JEEE CC(=O)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCOCC(F)F)CC1 1286869430 XHLGUISIPZKPQG-UHFFFAOYSA-N 462.501 2.459 30 10 JEEE CCOC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1296448591 FAZNZPVMEPGGPS-UHFFFAOYSA-N 460.604 2.492 30 10 JEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@](C)(c2ccccc2)C1 1300363734 FWAOPIIJAWDYIJ-QPPBQGQZSA-N 487.626 2.167 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccc1N1CCCC1 1300410687 PTYXBOPMUTYFNR-JOCHJYFZSA-N 486.642 2.261 30 10 JEEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 1300483643 MKYKUQCGLXPHTO-DYESRHJHSA-N 464.613 2.055 30 10 JEEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1301189043 QPOBQWSWUPEHNP-FQEVSTJZSA-N 492.690 2.107 30 10 JEEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCc2ccc(Cl)nc2C1 1301510181 UMVOGJBGPAZZHO-UHFFFAOYSA-N 471.974 2.183 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2OCC)nnc1N1CCc2c(ccnc2O)C1 1301519020 LVEZEZAIOZCMFQ-UHFFFAOYSA-N 464.526 2.221 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C2CCC2)CC1 1301575605 JFMDFUJFRLRZTL-UHFFFAOYSA-N 460.560 2.129 30 10 JEEE C=C(Cl)C[C@H](NC(=O)c1cc(Br)cc(S(N)(=O)=O)c1C)C(=O)OCC 1302419507 MQFHZLUFBYEZND-LBPRGKRZSA-N 453.742 2.209 30 10 JEEE CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H](C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 1313618468 BUNNECCGQGHMQJ-FPOVZHCZSA-N 486.642 2.474 30 10 JEEE CCN(CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(NC(=O)COC)CC1)C1CC1 1313807192 GLEMEDAHPMJTRC-UHFFFAOYSA-N 451.575 2.032 30 10 JEEE CN(C)[C@@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](C#N)C1)c1cccs1 1314647732 DATHXBINCRMVSY-HKUYNNGSSA-N 486.623 2.442 30 10 JEEE C#CCNC(=O)c1ccccc1NC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)c(Cl)c2)C1=O 1358442889 DBAVFXNEDFUQGH-QFIPXVFZSA-N 456.861 2.248 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1Cc1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 1358956843 LKPMEGLOLMFPRF-UGKGYDQZSA-N 479.002 2.259 30 10 JEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CCCN1CCC(O)CC1)[C@@H]1CCS(=O)(=O)C1 1358958649 SPCFGARWMKBSHA-HXUWFJFHSA-N 492.045 2.072 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1cccc(COC)c1)[C@@H]1CCS(=O)(=O)C1 1358965084 NMKZKORGSOQQSV-JOCHJYFZSA-N 465.579 2.085 30 10 JEEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2CC(C)(C)N2CCOCC2)CC1 1359036809 JVAJWURWEYDCCQ-UHFFFAOYSA-N 458.557 2.013 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CC(C)(C)c2cccc(OC)c2)CC1 1359047153 SXXWDBPTWYWHKA-UHFFFAOYSA-N 492.624 2.353 30 10 JEEE C=C(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1359120928 MFWDSNODPDTTNO-MRXNPFEDSA-N 471.587 2.278 30 10 JEEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1359121918 OLLBWOIHINWXDL-YESZJQIVSA-N 451.593 2.059 30 10 JEEE C=CC1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@](C)(O)CCOC)CC1 1359175300 GVAIOFTUQUFGAW-QHCPKHFHSA-N 477.631 2.385 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1359187118 CDBQCNLSIWMTJH-QGZVFWFLSA-N 454.535 2.461 30 10 JEEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1359227024 RELNHGPMKARNFP-QFIPXVFZSA-N 463.586 2.406 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCOC[C@@H]1OC 1359263853 NWWSOGUBDQMTPW-SCTDSRPQSA-N 466.629 2.486 30 10 JEEE C=CCN(CCc1ccco1)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCC(=O)NC 1359277499 NRHSENLQJDUKPO-UHFFFAOYSA-N 461.526 2.156 30 10 JEEE C=CCN(CCOC)c1nnc(-c2ccc(Br)s2)n1CC(=O)N1CCOCC1 1359278985 NXYNQTJXTXLYJM-UHFFFAOYSA-N 470.393 2.267 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1359294298 PUMTUFCUOMFIKO-CVEARBPZSA-N 492.330 2.133 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(Cc2ccc(OC)c(F)c2)CC1 1359331197 QDYOBPIFRRBSGX-UHFFFAOYSA-N 488.589 2.344 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1359333743 IJFYQHSXEUCYKO-JXQFQVJHSA-N 490.626 2.251 30 10 JEEE C=CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1359338561 ZXCBJWJGKIMGRK-ZWKOTPCHSA-N 493.611 2.229 30 10 JEEE N#CCC1(CNC(=O)c2cc(S(=O)(=O)NC[C@@H]3CCCO3)ccc2Br)CC1 1448733762 FMAIYBKXLXZPGG-ZDUSSCGKSA-N 456.362 2.330 30 10 JEEE C#CCN1CCN(C(=O)CSc2nnc(CN3CCCC3)n2-c2ccc(Cl)cc2)CC1 1458734428 QUTHRJOKNJPGOG-UHFFFAOYSA-N 459.019 2.386 30 10 JEEE C#CCN(C(=O)NCCCOc1ncc(C(F)(F)F)cc1Cl)[C@@H]1CCS(=O)(=O)C1 1469683784 JGSVDAGJUVPSEY-CYBMUJFWSA-N 453.870 2.355 30 10 JEEE N#C[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cc(Cl)ccc2OC(F)F)CCO1 1505321667 DHVVMJFESNAPKL-KGLIPLIRSA-N 452.849 2.261 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)Nc3ccccn3)n2Cc2nccs2)c1 1507546350 FXXUOLNWUAMTLB-UHFFFAOYSA-N 472.534 2.486 30 10 JEEE C#CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(C(=O)OCC)CC1 1507561655 WWSUNTHCHRVXEP-UHFFFAOYSA-N 463.542 2.274 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@]2(N(C)C)CCSC2)CC1 1507731742 BZSNFQPZQUUYIV-HSZRJFAPSA-N 458.607 2.189 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H](c2ccccc2)N(C)C)CC1 1507736472 PUMDCVOPZLKBEG-YIXXDRMTSA-N 494.640 2.199 30 10 JEEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCOC(C)(C)C1 1507749587 XGDKFWAZVSADNB-UHFFFAOYSA-N 463.629 2.177 30 10 JEEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1507756972 SNAGYMAACQXWMF-HXUWFJFHSA-N 489.667 2.248 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1507811226 ORZQFHOMNOKGQA-SIKLNZKXSA-N 454.575 2.221 30 10 JEEE C=C(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 1507826807 DJFBLJHZLWHCSE-HXUWFJFHSA-N 458.588 2.270 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCOC1 1508009209 WILOFMUOMFFIHY-WIYYLYMNSA-N 493.605 2.369 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1NC(=O)CC1(C)C 1508038249 HCRBVUKDOQJUIG-QZTJIDSGSA-N 492.621 2.140 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1Cc1ccc(C)n(C)c1=O 1508040154 TZMXZLBZONODOH-NRFANRHFSA-N 451.527 2.485 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2CCN(CC(F)(F)F)CC2)C1 1508126079 SVYQFMAAMXMLKR-SJORKVTESA-N 456.513 2.285 30 10 JEEE C#CCCCn1c(CCc2ccc(OC)cc2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1539134608 YFBMRSFWSSOPDI-RUZDIDTESA-N 464.570 2.300 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1ccc(OC(C)C)nc1)[C@@H]1CCS(=O)(=O)C1 1539210058 AMQADTKPAJRUEJ-LJQANCHMSA-N 466.567 2.197 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCN(C)CC(F)(F)F)CC1 1539451944 GBAMZXRTCGTZLH-LJQANCHMSA-N 464.492 2.040 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCC=CO2)CC1 1539488159 IVLPDTVTEZBWHB-QFIPXVFZSA-N 460.538 2.387 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](N(C)Cc2ccccc2)C1 1539518296 XHLJIUNSPGDYOT-LEWJYISDSA-N 473.668 2.257 30 10 JEEE C=C(Cl)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1539780146 LMENSRCUMHOQSZ-QGZVFWFLSA-N 460.922 2.188 30 10 JEEE C=CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1540853580 BNCJSQNWCTUVCL-INIZCTEOSA-N 489.577 2.296 30 10 JEEE C=CCn1c(Cc2csc(C)n2)nnc1N1CCN(CC(=O)NCc2ccccc2)CC1 1540859382 YHDBMBIAHRFAMJ-UHFFFAOYSA-N 451.600 2.258 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1540863727 CUPQZUUUBIOIQJ-OAHLLOKOSA-N 493.406 2.123 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCCN(c2nc(C)ns2)CC1 1540864576 FEJDZVONAUBEKY-UHFFFAOYSA-N 468.587 2.133 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1540875345 IROHQKJARLEETP-INIZCTEOSA-N 482.507 2.241 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@H](C(F)F)C1 1540900062 KDCIQKUSAZERLT-INIZCTEOSA-N 478.529 2.003 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1C[C@@H]1CCCO1 1541670829 GDPHVOAWNDFTDN-NRFANRHFSA-N 451.575 2.179 30 10 JEEE CCCNC(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1547242417 DKXJSVPXCNPJCO-OAQYLSRUSA-N 482.610 2.262 30 10 JEEE CCN1CCCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1547683488 GHMVOLBVCWSWCH-GHTZIAJQSA-N 471.631 2.161 30 10 JEEE CO[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1)c1ccc(F)cc1 1554656523 FSXFZDHTAOHSOK-XAUMDUMWSA-N 451.499 2.149 30 10 JEEE N#C[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCOc2ccc(F)c(F)c2)CCO1 1555992126 HWCWINJECQBQQK-HNNXBMFYSA-N 455.425 2.011 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1CCN(CCN(C)C)CC1 1587633232 SKIYGYARUAFMOP-OAQYLSRUSA-N 479.677 2.184 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@](C)(O)c1ccsc1)[C@H]1CCS(=O)(=O)C1 1588045479 LOZKNGGRHIXSLY-REWPJTCUSA-N 481.603 2.413 30 10 JEEE C#CCN(c1nnc(-c2cnn(-c3ccccc3)c2)n1CCN(C)[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1588049418 GISDYNRRWXAJBR-NZQKXSOJSA-N 495.653 2.488 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@H]1CCCN(C(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1588053412 FCSAWQFWCZXGLO-HBMCJLEFSA-N 463.648 2.267 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 1588228986 OJNCXSXEQDPDJN-UXHICEINSA-N 489.642 2.290 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCCOC2CCOCC2)CC1 1588762903 PGHDJUZOXNYRBH-UHFFFAOYSA-N 469.586 2.303 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H]2CN(CC(C)C)CCO2)CC1 1588946687 HKMLVCTXVHOYPA-QHCPKHFHSA-N 496.631 2.331 30 10 JEEE C=CCN(CCOC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@H]1COCCO1 1595291482 OQBOPTPRUBPRDC-SFHVURJKSA-N 468.558 2.290 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1595506480 BEVQQRIBVSBMJU-UHFFFAOYSA-N 466.586 2.485 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC2(O)CCOCC2)C1 1595664395 CVWPRLQFBZFTOE-HXUWFJFHSA-N 455.559 2.470 30 10 JEEE C=CCOc1ccccc1Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H](S(C)(=O)=O)C1 1595665050 NOGICTBNNKMHGK-FQEVSTJZSA-N 470.599 2.376 30 10 JEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 1595884676 QASHXNDIJBHETM-SFHVURJKSA-N 489.667 2.123 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1Cc1cnnn1C 1613585783 AJZLGJWHZWBWJV-UHFFFAOYSA-N 497.007 2.225 30 10 JEEE CN(CCS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1C[C@](C)(O)c1cccs1 1618358168 DKERRTSCXIYKPW-NRFANRHFSA-N 475.596 2.179 30 10 JEEE CS(=O)(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ncccc2F)CC1 1620161960 CGUDJDXQHVKZFH-UHFFFAOYSA-N 469.546 2.112 30 10 JEEE CCOC(=O)c1cc2n(n1)C[C@H](C)N(S(=O)(=O)c1cccc(Br)c1C#N)C2 1622582047 GEXJMYNPPRRTKV-NSHDSACASA-N 453.318 2.287 30 10 JEEE N#Cc1ccc(N2C[C@@H](C(=O)N3CCN(C(=O)c4cccc(O)c4)CC3)CC2=O)cc1Cl 1631600590 CKAMRYYPPABMSD-KRWDZBQOSA-N 452.898 2.255 30 10 JEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCCCN2C(=O)COc3ccccc32)cc1 1665968798 GYBPYDQBPLZJEN-UHFFFAOYSA-N 458.540 2.430 30 10 JEEE C#Cc1cccc(NC(=O)CNS(=O)(=O)[C@@H]2CCCN(C(=O)OCc3ccccc3)C2)c1 1666556528 YEROBQIKBHOGFP-OAQYLSRUSA-N 455.536 2.327 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@H](C)c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1689978501 WWPUIWCSUJAHNG-FXAWDEMLSA-N 496.568 2.495 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@](C)(O)CCOC 1690013136 CPBAKJFTBNPFCA-RUZDIDTESA-N 462.554 2.096 30 10 JEEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ccc(NC(N)=O)cc1 1690046744 GKDMDDNMTFSIOK-UHFFFAOYSA-N 483.580 2.454 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCN(C)S(=O)(=O)CC 1690056433 SEEFIFNIULPXOF-WOJBJXKFSA-N 463.648 2.331 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccn3C)n2C[C@@H](C(CC)CC)N2CCOCC2)CC1 1690120273 OLUWJUQVCIIWCD-QHCPKHFHSA-N 453.635 2.176 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccncc2Cl)CC1 1690152569 PQISQGNGZMXLOB-UHFFFAOYSA-N 466.977 2.202 30 10 JEEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(O)(c2ccccc2)CC1 1690219403 DCGSOJWJVFFPJC-OAHLLOKOSA-N 484.420 2.285 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(F)(F)Br 1690265837 UZBQYCLQUMSALG-LBPRGKRZSA-N 472.356 2.001 30 10 JEEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C)C2(CCC2)C1 1690313020 JSTWIJNGESBSTR-MOPGFXCFSA-N 467.636 2.220 30 10 JEEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C)C2(CCC2)C1 1690313023 JSTWIJNGESBSTR-RTBURBONSA-N 467.636 2.220 30 10 JEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccccc2C)CC1 1690485609 YDHZFVPDLZSZHU-NRFANRHFSA-N 474.631 2.212 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN([C@@H](C)c2nc(C(C)C)no2)CC1 1690667656 CIPKDGWAIHHORQ-KRWDZBQOSA-N 465.562 2.032 30 10 JEEE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3ccc(C#N)cc3)n2CCCNC(=O)C(C)C)C1 1690783148 JPVWFISDYPVHCA-FQEVSTJZSA-N 451.575 2.284 30 10 JEEE CCN1CCN(C2CCN(c3nnc(-c4cccc(C#N)c4)n3CCN(C)CCOC)CC2)C1=O 1695885870 CTGQDMSDFQXMDO-UHFFFAOYSA-N 480.617 2.121 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1CCCS(=O)(=O)C1 1705475778 VHNOMGBJVMALKI-DOTOQJQBSA-N 463.991 2.144 30 10 JEEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(C(=O)NCCCC)CC1 1705529005 ADBSFZWAUULJKG-UHFFFAOYSA-N 461.574 2.467 30 10 JEEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CCC1(C)CC1)[C@H]1CCS(=O)(=O)C1 1705560554 IAYCNDPCPAFNTH-PGRDOPGGSA-N 450.605 2.136 30 10 JEEE C#CCN(CC#CC)c1nnc(Cc2csc(C)n2)n1CCNS(=O)(=O)c1ccccc1 1705600256 RJRKIGIDIVUIRB-UHFFFAOYSA-N 468.608 2.075 30 10 JEEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1705655190 GXFWPXBNVSTLQO-JOCHJYFZSA-N 476.624 2.344 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1705685897 LDTADOABRDCDSZ-CVEARBPZSA-N 477.425 2.111 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1705930092 FBDJZYSCIAEVAG-QGTPRVQTSA-N 480.518 2.272 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1705934930 BDXJATISWLOHAJ-SJORKVTESA-N 455.625 2.427 30 10 JEEE CO[C@H]1CCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1712041921 GZCBMJFBYMDTHE-YADHBBJMSA-N 465.602 2.278 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCCCN(C)C)cc1 1722293908 FABSZMRMYSGLLX-ICSRJNTNSA-N 459.616 2.017 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H](OC)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1722360810 JXDKKLHFAWAQNZ-TZIWHRDSSA-N 451.552 2.355 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCCOc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1722367515 NOMWZVSCRHUMND-QUCCMNQESA-N 476.574 2.407 30 10 JEEE C#CCN(c1nnc(C2CCC2)n1CCc1ccc(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1722369298 XKRDMHPZBPXERY-IBGZPJMESA-N 458.584 2.432 30 10 JEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)CC2CCCCC2)CC1 1722463084 WRNKPGKYTMYGQC-UHFFFAOYSA-N 472.659 2.386 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(=O)NC)CC1 1722495869 IFFKHGFBFBOWHZ-LAUBAEHRSA-N 470.574 2.405 30 10 JEEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1722527418 IOIFUSKBZWVTRL-UHFFFAOYSA-N 470.578 2.102 30 10 JEEE C=CCC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(=O)NC2CC2)CC1 1722589493 RIMMFQXJNIGMFY-UHFFFAOYSA-N 454.623 2.143 30 10 JEEE C=CCCCn1c(Cc2ccncc2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1722617511 NDRXISLGKGJFIS-UHFFFAOYSA-N 465.602 2.170 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](c2nc3c(s2)CCCC3)C1 1722692003 DEYWXNDOPBYBAA-INIZCTEOSA-N 471.631 2.438 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN2C(=O)OC[C@H]2C1 1722696032 YSNICQNMKRCWGT-CYBMUJFWSA-N 451.314 2.195 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 1722698423 YQBAESGQSWXZGU-MRXNPFEDSA-N 468.587 2.369 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Br)nnc1N1CCC[C@H](C(N)=O)C1 1722726054 XXMULPSEAFKWPN-AWEZNQCLSA-N 482.404 2.010 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N(C)Cc1ccc(Br)o1 1722727717 KTDIYTREUAFKGI-ZDUSSCGKSA-N 459.366 2.375 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2OC)nnc1N1C[C@H](C)O[C@@H](C)C1 1722732469 ZMPPQMFGNSDHOK-IRXDYDNUSA-N 450.561 2.080 30 10 JEEE C=CCSCCn1c(N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)nnc1C(C)(C)C 1722739361 IAWFNPOSJITPIC-QGZVFWFLSA-N 457.666 2.126 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(N2CCCC2=O)CC1 1722749111 DAKDPAAZUWXCKE-UHFFFAOYSA-N 488.570 2.045 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](C)N1CCN(c2ccccc2)CC1 1723831871 GRYYJKUNQOZKGQ-QKNQBKEWSA-N 450.591 2.178 30 10 JEEE CC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2cnn(C)c2)CC1)OC 1727279850 CIURKPMDSKFNMY-HXUWFJFHSA-N 450.547 2.214 30 10 JEEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 1740564940 CYEKSJYEIRCNSU-UHFFFAOYSA-N 481.576 2.217 30 10 JEEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C(=O)OCC)CC1 1740566823 ZAZLAYAUHUTQLP-UHFFFAOYSA-N 488.614 2.277 30 10 JEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(c2ncc3n2CCCC3)CC1 1740581302 UUJIWNVGJKBNDG-KRWDZBQOSA-N 459.620 2.219 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(Br)cc2)n1CCNS(=O)(=O)CC 1740650401 ZHSAFPCUZZZRJB-UHFFFAOYSA-N 464.389 2.110 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1740742758 AQQJODSEEADJKQ-INIZCTEOSA-N 476.335 2.373 30 10 JEEE C=CC1CCN(c2nnc(-c3cc(Br)cn3C)n2CC(=O)N2CCOCC2)CC1 1740835985 LRBHQVFHYGUTGI-UHFFFAOYSA-N 463.380 2.307 30 10 JEEE C=CC[C@H](Cn1c(C)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1)c1ccccc1 1740854547 QJRKOJSNWSWSSH-OAQYLSRUSA-N 469.615 2.499 30 10 JEEE C=CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)NC)CC1 1740876626 KCKLJKJHRIZZOK-KRWDZBQOSA-N 463.583 2.014 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCN(c2cccnn2)CC1 1740954765 GJXQLRRRFHITGE-UHFFFAOYSA-N 492.584 2.160 30 10 JEEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@@H](OC)C(C)(C)C2)cc1 1740966403 SKTBMSPHEALGFU-QFBILLFUSA-N 463.604 2.363 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(OCCN2CCCC2)cc1 1741129414 DFNNHHOBFXPBHP-GHTZIAJQSA-N 451.575 2.348 30 10 JEEE CCOc1ccc(-c2nnc(N(C)C[C@H](C)C#N)n2CCC(=O)N2CCOCC2)cc1OC 1746778957 FRDVZHOVDUNFEN-QGZVFWFLSA-N 456.547 2.197 30 10 JEEE COc1cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)c2ccccc2n1 1748537121 HLOHTHNSRMMYDA-HNNXBMFYSA-N 469.571 2.233 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1CCNC(=O)c1cc[nH]n1 1748648699 BRDWXIPHLCGLMW-LBPRGKRZSA-N 460.311 2.458 30 10 JEEE C#CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1748735340 PNWGMGGVSMWNBN-UHFFFAOYSA-N 453.547 2.257 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1CC(O)(CC)CC)[C@H]1CCS(=O)(=O)C1 1748808508 DRDWVGSTMUNEKT-SFHVURJKSA-N 476.599 2.140 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(F)cc3Br)n2CCCc2cnn(C)n2)CC1 1748983836 AABOQPWCCFHMKS-UHFFFAOYSA-N 487.381 2.363 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@]2(O)CCC[C@@H]2C)CC1 1749003761 UZTXJDGONVTQKJ-HFJWLAOPSA-N 481.597 2.479 30 10 JEEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1749211079 RXDQWUIWGICEKH-UHFFFAOYSA-N 451.575 2.203 30 10 JEEE C=CCN(CC=C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCS(=O)(=O)N1CCSCC1 1749565271 KWSIBSOQDMALAM-UHFFFAOYSA-N 491.639 2.273 30 10 JEEE Cc1nn(C)c(N2CCN(c3nnc(C(C)C)n3CCCN3CCCO[C@@H](C)C3)CC2)c1C#N 1751827308 ADSAYGKYXNYUPN-IBGZPJMESA-N 469.638 2.143 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1760104976 KGTFXWNUXRXAFC-VQIMIIECSA-N 489.506 2.032 30 10 JEEE C#CCCCCn1c(Cc2ccncc2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1760139858 RKIVYHKBPAQNSS-XMMPIXPASA-N 465.646 2.299 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1Cc1cccnc1OCC)[C@H]1CCS(=O)(=O)C1 1760188966 DVZZJDOXMYVCMH-IBGZPJMESA-N 471.608 2.399 30 10 JEEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1760281539 ODZVJWMNPIJXPW-SFHVURJKSA-N 455.584 2.207 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1CCN(CC(F)(F)F)CC1 1760294862 ILKPTQMUAUFVJP-YLJYHZDGSA-N 473.565 2.447 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@H](C(N)=O)C1 1760313145 KCVBBZIZRGTEKM-AOIWGVFYSA-N 472.977 2.154 30 10 JEEE C=CCCCn1c(N2CCN(CC(=O)N3CCCCCC3)CC2)nnc1[C@]1(OCC)CCOC1 1760444547 KKYKZPMVXKKNDO-VWLOTQADSA-N 474.650 2.421 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(=O)N1CCOCC1 1760493432 DUKRNHRWEBEKEF-IBGZPJMESA-N 474.606 2.430 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1760517286 IMIWZBQEBHGYBV-QGZVFWFLSA-N 451.531 2.406 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2cc(C)ccc2C)CC1 1760531013 ZVFLYVJHEIRKRP-REWPJTCUSA-N 468.602 2.248 30 10 JEEE C=CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1760561294 WOXZIUSWQZGDLP-UHFFFAOYSA-N 472.615 2.046 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCC(CC#N)CC2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1761215126 BLJUCBNLYSVYLK-SFHVURJKSA-N 466.590 2.215 30 10 JEEE Cc1cccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCCN2C[C@@H](C)O[C@H](C)C2)c1 1762024013 CVCUSCCUHHTDLR-KCZVDYSFSA-N 454.575 2.394 30 10 JEEE CC[C@@H](C)[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1763396940 DUNDLBDYVCYGDL-FQRUVTKNSA-N 479.629 2.358 30 10 JEEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@H]1CCN(CC(F)(F)F)C1 1767942137 AUOGCUWZAAKVMT-IRXDYDNUSA-N 493.538 2.076 30 10 JEEE CCOC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)C1 1767989876 BNGOWIGJAFBBQG-LJQANCHMSA-N 458.588 2.105 30 10 JEEE COc1cc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCCN2CCOCC2)cc(OC)c1OC 1769816787 FNQDDDSYQVGWIA-QHCPKHFHSA-N 474.537 2.135 30 10 JEEE CC(=O)Oc1ccc(C[C@H](NC(=O)CC[C@H]2CCS(=O)(=O)C2)C(=O)Nc2ccc(C#N)cc2)cc1 1866928807 HGYVDTAZFWDLIW-REWPJTCUSA-N 497.573 2.364 30 10 JEEE C#CCOc1cn(CCc2ccc(S(N)(=O)=O)cc2)c(CNc2ccc(NC(C)=O)cc2)cc1=O 1871008922 VGAPHWHIBAUBDV-UHFFFAOYSA-N 494.573 2.321 30 10 JEEE CCN1CCN(CC#CCOC2CCN(C(=O)c3cc(-c4ccccc4F)nn3C)CC2)CC1 1889569072 JYBQZGDWQXEWBP-UHFFFAOYSA-N 467.589 2.488 30 10 JEEE CO[C@@H]1[C@H](OC)CN(C(=O)OC(C)(C)C)[C@H]1C(=O)N1CC(CB2OC(C)(C)C(C)(C)O2)C1 2140536445 VIFGLRMSSJHVLT-BRWVUGGUSA-N 454.373 2.186 30 10 JEEE CC(C)(C)OC(=O)N1CC([S@](C)(=O)=NC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C1 2255843564 ILMABXBXRVTPLT-HKBQPEDESA-N 471.410 2.300 30 10 JEEE CC(C)(C)OC(=O)NC[C@H](CO)NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2255939615 CBIDQBCBPQJAJL-CQSZACIVSA-N 454.760 2.255 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H]1CNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2255950504 OUIYAIUKPKUBCR-KBPBESRZSA-N 472.438 2.486 30 10 JEEE CC(C)(C)OC(=O)N[C@]1(C)CCN(S(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267376936 CMEGDSPZIUAQEN-OAQYLSRUSA-N 467.397 2.059 30 10 JEEE CC(C)(C)OC(=O)NOCCCNS(=O)(=O)Cc1ccccc1B1OC(C)(C)C(C)(C)O1 2267464652 JJSNCYLYIRBKJV-UHFFFAOYSA-N 470.397 2.252 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1S(=O)(=O)N[C@@H]1CON(C(=O)OC(C)(C)C)C1 2267468329 VCUYUZUJNTWEHK-INIZCTEOSA-N 468.381 2.123 30 10 JEEE CC(C)(C)OC(=O)N1CC2(C[C@H](O)CN2C(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2267592212 CQZZASHHWMYGFM-AWEZNQCLSA-N 464.393 2.244 30 10 JEEE Cn1ncc(C(=O)NC[C@H]2C[C@@](F)(CNC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2281814824 NRFODVMVVBZDKP-CAJLXGCNSA-N 466.363 2.092 30 10 JEEE Cc1cnc(C(=O)NC[C@@H]2CN(C(=O)OCc3ccccc3)CCO2)c(B2OC(C)(C)C(C)(C)O2)c1 2281949644 LVBGBIMNGHPWKR-HXUWFJFHSA-N 495.385 2.457 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C1 2282039579 XITFAUCHVPUELX-NVXWUHKLSA-N 460.384 2.191 30 10 JEEE Cn1ncc(CNC(=O)OC(C)(C)C)c1NC(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2282179086 RIIUFUFGNDUQMW-UHFFFAOYSA-N 457.340 2.391 30 10 JEEE C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)CN1S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282355067 YFCMGIQKEJZKQQ-WBVHZDCISA-N 481.424 2.447 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)c3ccsc3B3OC(C)(C)C(C)(C)O3)C[C@@H]2[C@H]1CO 2282484045 AERBEWRTKHLXMH-BHYGNILZSA-N 478.420 2.347 30 10 JEEE C[C@@H]1C[C@@H](CNC(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2282575242 ALYZYTWTMWHEMS-CVEARBPZSA-N 462.400 2.485 30 10 JEEE CC(C)(C)OC(=O)NOCCCNS(=O)(=O)c1c(F)cc(F)cc1B1OC(C)(C)C(C)(C)O1 2282870139 NMBUOHJRXHXFIH-UHFFFAOYSA-N 492.350 2.389 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](CC(=O)NCc2ccccc2B2OC(C)(C)C(C)(C)O2)[C@@H](O)C1 2283943682 CMBAOPZCSPSOCF-HKUYNNGSSA-N 460.380 2.220 30 10 JEEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)N1CCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C1 2283977710 SSHUKWNGVDHDDB-DNVCBOLYSA-N 460.380 2.145 30 10 JEEE CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[C@H](B2OC(C)(C)C(C)(C)O2)C1)[C@H](O)C(F)(F)F 2319734205 OLVLPAYZYMHOLK-AVGNSLFASA-N 452.279 2.498 30 10 JEEE COc1ccc(CCc2nnc(SCC(N)=O)n2N=Cc2ccc([N+](=O)[O-])cc2)cc1OC 2326183142 BQCDOLJQGMAZCT-UHFFFAOYSA-N 470.511 2.448 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1C[C@@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2 2359278952 LFWUEZMLWNBURY-HYVNUMGLSA-N 460.384 2.330 30 10 JEEE N#C[C@H]1C(=O)Nc2nc(NCc3ccc4c(c3)OCCO4)[nH]c(=O)c2[C@@H]1c1ccccc1[N+](=O)[O-] 72472419 UMQIMJJMRKKEHK-RDTXWAMCSA-N 474.433 2.285 30 10 JEEE CN1CCN(S(=O)(=O)c2cccc(C(=O)N3CCS/C3=N/CCc3ccccc3)c2)CC1 111135622 RDAOXOHARHXUIE-WCWDXBQESA-N 472.636 2.410 30 10 JEEE COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CCN(C)C)cc1OC(C)=O 170425841 DKERVGHNQPRUTK-QFIPXVFZSA-N 482.489 2.489 30 10 JEEE C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](COc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 204868584 TUIWYGNDGTXLIT-SJORKVTESA-N 490.410 2.306 30 10 JEEE COc1ccc(OC)c(/C=C/C(=O)[C@@H]2CNCC[C@H]2NC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)c1 585831058 NDWWUMPMETUQLY-QGWWUKNZSA-N 491.544 2.065 30 10 JEEE COCc1nnc(NC(=O)C[S@@](=O)CC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)s1 586299307 LJDKHPNJUICCFG-QVRUCNGISA-N 467.598 2.068 30 10 JEEE C#CC[C@H](NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 757537556 AXQZLDANZPVCGN-XZOQPEGZSA-N 472.501 2.452 30 10 JEEE CCOc1cc(C=NNc2nnc(SCC(=O)Nc3cccc(NC(C)=O)c3)n2N)ccc1O 1083999045 NGZJNXUYZKZGDB-UHFFFAOYSA-N 484.542 2.231 30 10 JEEE C=CCNC(=O)[C@@H](C)Sc1n[nH]c(NN=Cc2c(C)nn(-c3ccccc3)c2N2CCOCC2)n1 1084154721 CXRJNRLCDDSJBQ-QGZVFWFLSA-N 495.613 2.364 30 10 JEEE COc1cc(C=NNc2nc(SCC(=O)NCc3ccccc3)n[nH]2)c([N+](=O)[O-])cc1O 1084389988 LPZLOSWBXGONSH-UHFFFAOYSA-N 457.472 2.282 30 10 JEEE COC(=O)N1CCN(c2ccc(NC(=O)[C@H]3CCN(c4ccc(C#N)cc4F)C3)cn2)CC1 1129162962 DQJCHBOLTXJQGY-KRWDZBQOSA-N 452.490 2.446 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@H](C(C)C)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1286386870 ITKLZOZDURBGPT-PZJWPPBQSA-N 458.632 2.031 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1CCN1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1286394630 WFHQBAMSCVMVBC-HXUWFJFHSA-N 461.657 2.289 30 10 JEEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCc2ccc(OC)c(OC)c2Cl)CC1 1286476992 MNLPWCNTYVOVNA-UHFFFAOYSA-N 469.977 2.347 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCCOCCOC)CC1 1286485803 YMUHXSPFUDYWLS-FQEVSTJZSA-N 476.622 2.158 30 10 JEEE C#CCSCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1286501174 OPEQQELTUWDRIJ-UHFFFAOYSA-N 475.018 2.138 30 10 JEEE C#CCSCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC(C(N)=O)CC1 1286505783 ASRRQXNBVMSADK-GOSISDBHSA-N 476.647 2.461 30 10 JEEE C=CCCOCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@](C)(C(=O)NC)C1 1286710197 PPJPEDNDROMBGD-VWLOTQADSA-N 479.585 2.230 30 10 JEEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccc(Cl)cc2C1 1286711017 HEWNPDPGBOKMKS-HXUWFJFHSA-N 496.033 2.420 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCOC2)n1CCC(=O)N1CCOCC1 1286743104 ZOQPBJPJDNMDPQ-OAQYLSRUSA-N 450.543 2.095 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 1286783851 NWCQXFRXZNACSZ-GOSISDBHSA-N 467.530 2.340 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1286789837 XSELZJFSZSCFOV-OAHLLOKOSA-N 454.472 2.383 30 10 JEEE C=CCNC(=O)Cn1c(N2CC[C@H](c3ccccc3OC)C2)nnc1[C@@]1(OCC)CCOC1 1286792838 JSNMLOQKMAHFTR-MHECFPHRSA-N 455.559 2.235 30 10 JEEE CC(C)[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1287144460 HOVFRKYOQQHHMO-JOCHJYFZSA-N 460.604 2.084 30 10 JEEE CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](CC)OC)CC1 1291832052 FOMRLXCUPFTXAB-RXVVDRJESA-N 453.591 2.278 30 10 JEEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1CCc1n[nH]c(C)n1)[C@H]1CCS(=O)(=O)C1 1300482809 HHLLSKDGKQOGGP-VQTJNVASSA-N 467.599 2.116 30 10 JEEE C#CCN(c1nnc([C@@H](C)OCCOC)n1Cc1csc(C)c1)[C@H]1CCS(=O)(=O)C1 1300485132 UMOHACRSLJXUEW-AEFFLSMTSA-N 452.602 2.047 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1CC[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1300504606 OSQPVFDAEHGFFZ-PMACEKPBSA-N 458.584 2.219 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Cc1cccs1 1300631615 UFMLOENMCXRXQA-WMZOPIPTSA-N 451.618 2.011 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1300988803 JTGXCNBBGBHNKP-KSZLIROESA-N 483.635 2.122 30 10 JEEE COCC[C@](C)(O)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1301449045 ICVISHFHEMXSKM-MBSDFSHPSA-N 474.993 2.421 30 10 JEEE C=CCn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1301470276 YHAKXIQELMHMSK-IBGZPJMESA-N 482.006 2.327 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CC(F)(F)CNC(=O)OC(C)(C)C)C1 1301566390 MYNNSDYPQMPASB-INIZCTEOSA-N 484.548 2.342 30 10 JEEE Cc1cccc([C@H](C)Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)c1 1304154375 FJERSDXWUOACIH-SFGWALBWSA-N 476.578 2.165 30 10 JEEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1358915475 FBCPALVZOJUKKN-QGZVFWFLSA-N 451.497 2.448 30 10 JEEE C#CCN(c1nnc(C)n1C[C@@H](c1ccc(OC)cc1)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1358957737 ZLBQCBWHWPXLKK-IRLDBZIGSA-N 457.600 2.059 30 10 JEEE C#CCN(c1nnc(COc2ccccc2CC)n1CC1(O)CCCC1)[C@@H]1CCS(=O)(=O)C1 1358967508 LTVQARBDXSTORC-HXUWFJFHSA-N 472.611 2.351 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@](C)(O)[C@H](C)CC 1358972004 QBVFSAQRRRJBDG-JPYJTQIMSA-N 457.600 2.065 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCOC[C@@H]1C 1358987912 XBYUCOISBSETOQ-PZJWPPBQSA-N 469.611 2.331 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H](CCC)OC)CC1 1359041806 JHRXFGWOVSGJIK-HXUWFJFHSA-N 487.626 2.130 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H]2NC(=O)CC2(C)C)CC1 1359045906 XSWFWYHHESMOHB-HXUWFJFHSA-N 483.016 2.403 30 10 JEEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1359054676 CXTFBANEMYZLDB-UHFFFAOYSA-N 462.645 2.265 30 10 JEEE C=CCCCn1c(COc2ccccc2F)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1359220112 ORDCIUWQOUNRGT-UHFFFAOYSA-N 470.549 2.233 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1359272531 VZXGXCKKQRLKJP-ICSRJNTNSA-N 472.615 2.027 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1359296065 VWCNPEWVIVXOED-QRQCRPRQSA-N 461.950 2.294 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@@H](n2cncn2)C1 1359304400 XEADJVPOJURROO-LJQANCHMSA-N 450.547 2.209 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)c2ccc(F)cc2)C1 1359321473 GUZRJLROWVXGJW-IOMROCGXSA-N 493.605 2.335 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](C)[C@@H](C)C1 1359332599 BPSKXRONWBHWRB-FGTMMUONSA-N 483.635 2.280 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1359333682 GSBOTNZAUTXMNC-GOSISDBHSA-N 494.524 2.017 30 10 JEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1359343029 KRDZIQSURRJDOJ-CYBMUJFWSA-N 488.561 2.471 30 10 JEEE CC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCO2)CCN1CCOC 1499780492 BFULIZZPTKHRCT-UNMCSNQZSA-N 454.575 2.455 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1CCCc1c[nH]nc1C)[C@H]1CCS(=O)(=O)C1 1507633311 CSGDFDMYXKMFSK-IBGZPJMESA-N 458.613 2.221 30 10 JEEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1507673231 QOQPFKZOCBWQSZ-JOCHJYFZSA-N 472.597 2.271 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H](C)Oc2cccc(F)c2)CC1 1507718777 HWBOLOKPRYNCNN-CYFREDJKSA-N 457.550 2.292 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2occc2C)CC1 1507733867 COHZSHGPPYLEGC-UHFFFAOYSA-N 481.578 2.264 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCCN(CC)CC)CC1 1507735332 SIRBIOUCYYEBGK-UHFFFAOYSA-N 480.613 2.414 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC2(O)CCOCC2)CC1 1507735790 HETYTMCRQNQGSD-SFHVURJKSA-N 485.560 2.065 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2CCNC(=O)OC(C)(C)C)CC1 1507740823 ZLJBCYYOIXRDAY-UHFFFAOYSA-N 472.615 2.421 30 10 JEEE C#CCSCCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1507754827 ZEIQVFRRVTXMKO-GOSISDBHSA-N 468.048 2.407 30 10 JEEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1507756988 SSTPTHYQCVIQEV-FGZHOGPDSA-N 495.697 2.257 30 10 JEEE C=C(C)COCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1507840027 XHIUVUIZOBRNDW-LJQANCHMSA-N 450.561 2.178 30 10 JEEE C=CCCOCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1507957512 PFDMZAHWUODTOY-QHCPKHFHSA-N 488.976 2.485 30 10 JEEE C=CCCOCCn1c([C@H]2CCCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1507966826 CTABNXTZGBXXJR-UYAOXDASSA-N 452.563 2.489 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 1508138131 WULHJIJSJLRTPD-UHFFFAOYSA-N 472.571 2.174 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N(C)C[C@H]1CN(CC)c2ccccc2O1 1508141871 PNBJIQJHDRVNMM-PMACEKPBSA-N 489.642 2.497 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCC[C@H](CN2CCOCC2)C1 1508143816 KRHZNFJEBNEFDT-HXUWFJFHSA-N 491.633 2.157 30 10 JEEE CCOCc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@@H]1CCOC[C@@H]1OC 1516600412 AYMJFOYLAQPBNR-VXKWHMMOSA-N 454.575 2.060 30 10 JEEE COc1ccc(O[C@H](C)Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)cc1 1518308652 BQDLOGMENYVHPV-VWKPWSFCSA-N 463.535 2.098 30 10 JEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1539132601 OGKVHCJGKPXMFO-MOPGFXCFSA-N 456.616 2.230 30 10 JEEE C#CCCCn1c(COc2ccccc2OC)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1539139752 OMBAMHBJVXALSK-HXUWFJFHSA-N 466.586 2.022 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccc(Cl)cc1OC)[C@@H]1CCS(=O)(=O)C1 1539222169 UDTNJBAOAWBMGI-FUHWJXTLSA-N 464.975 2.119 30 10 JEEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCCN(C(C)C)C1 1539408835 FEMHSUHUMZDAHJ-FQEVSTJZSA-N 487.674 2.445 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2Cc2ccc(OC)nc2OC)CC1 1539481861 HJNZYVPRFCRHRP-UHFFFAOYSA-N 492.555 2.434 30 10 JEEE C=C(C)Cn1c(Cc2cn3ccccc3n2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1539710745 YSOTXMGFBKGFJH-RBUKOAKNSA-N 451.575 2.460 30 10 JEEE C=C(C)Cn1c(N2CC[C@H](S(=O)(=O)NCC)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1539733915 UHJCUMONCCRSNE-BBWFWOEESA-N 468.624 2.143 30 10 JEEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1539804640 YYNVGTKYVOTWIR-XHSDSOJGSA-N 466.970 2.054 30 10 JEEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2ccc3c(c2)OCCO3)CC1 1539976757 DFUWBDRRVMZTOT-UHFFFAOYSA-N 454.575 2.476 30 10 JEEE C=CCSCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN2C(=O)NC[C@H]2C1 1540911018 RBLPMGHKMJJPGJ-INIZCTEOSA-N 474.587 2.104 30 10 JEEE C[C@@H](CN1CCCC1)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1541874387 FMGMPXZOJQMLRX-AZUAARDMSA-N 472.615 2.084 30 10 JEEE C[C@]1(C#N)CCCN(c2nnc(C(=O)N3CCCC3)n2CCS(=O)(=O)c2ccccc2)C1 1541987667 CTXDTSAFRWKFKL-JOCHJYFZSA-N 456.572 2.118 30 10 JEEE Cn1ccc(C(=O)N2CC3(CCN(c4ccc(C#N)c(C(F)(F)F)c4)CC3)C[C@H]2C(N)=O)n1 1548379995 NNFULNUFKBSOEG-SFHVURJKSA-N 460.460 2.297 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)N2Cc3ccccc3C[C@H]2C(=O)NC2CC2)ccc1F 1570591712 CXBUYANIUMWULK-FQEVSTJZSA-N 457.527 2.136 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@](C)(O)CCC(C)C)c1 1587692208 AFLMVOJGHNHZMQ-CJFMBICVSA-N 466.586 2.473 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCN(CC)CCC)[C@H]1CCS(=O)(=O)C1 1588045400 KASQVAWIFHGFQZ-NRFANRHFSA-N 454.600 2.175 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1588074085 ILBCHXFKUGQLSR-FGTMMUONSA-N 481.619 2.012 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(Br)cc2)n1CCCNS(C)(=O)=O 1588193384 BWXKYGPZCXXSIV-UHFFFAOYSA-N 464.389 2.110 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccnc2)n1Cc1cc(F)ccc1N1CCOCC1 1588619804 GFKQFALZRHVKMG-UHFFFAOYSA-N 450.518 2.450 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OCCCC)c(OC)c3)n2C[C@]2(O)CCO[C@H]2C)CC1 1588791335 SLLKZBUGSOZNFR-RXFWQSSRSA-N 483.613 2.428 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(C)(C)OC[C@@H]1C 1594497829 MUVQNOAJCSIMBT-IRXDYDNUSA-N 455.625 2.217 30 10 JEEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1595399042 QOVMENYLXYLVQH-SFHVURJKSA-N 487.605 2.345 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(C)nc3ccccc23)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 1595490620 UWKWUWGCUZSPFC-KRWDZBQOSA-N 470.599 2.363 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1595784381 FBHZAKIZMKAKRM-OAHLLOKOSA-N 458.510 2.014 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1595822899 KERNSCWJWLHRRA-QGZVFWFLSA-N 485.488 2.097 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCc3cc(OC)c(OC)cc3CC2)s1 1597411073 KGGDETPILZQTHV-UHFFFAOYSA-N 450.582 2.400 30 10 JEEE Cc1cnn(CC2CCN(c3nnc(COc4ccc(C#N)cc4)n3CCS(C)(=O)=O)CC2)c1 1612338307 ABCBFDYHGOEUBM-UHFFFAOYSA-N 483.598 2.195 30 10 JEEE C[C@H]1SCCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N2CCOCC2)[C@@H]1C 1613038465 FIMHWTRETMBNTQ-QZTJIDSGSA-N 470.599 2.308 30 10 JEEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cc(Br)cc(C#N)c2)[C@@H](C#N)C1 1621881532 CPRUBCISCDGFOF-AWEZNQCLSA-N 455.334 2.454 30 10 JEEE CC(=O)c1ccc(S(=O)(=O)NCC(=O)N[C@@H](C#N)c2ccc(OC(F)(F)F)cc2)cc1 1634915131 ANBNLUIWXDCNIX-KRWDZBQOSA-N 455.414 2.447 30 10 JEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)C(F)(F)F)CC1 1635389897 SWPGRZKZKXXHFI-IKGGRYGDSA-N 475.508 2.368 30 10 JEEE Cc1nc(C#N)c(N2CCC(C(=O)N(C)Cc3nnc4n3C[C@H](C(F)(F)F)CC4)CC2)o1 1644737149 BVSWRNGAUWQEMW-CQSZACIVSA-N 451.453 2.446 30 10 JEEE C[C@H](C(=O)N1CCN(c2ncccn2)CC1)N1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 1654335840 ADWVQUYVSXHBMW-NQIIRXRSSA-N 453.978 2.050 30 10 JEEE CC(C)(C)OC(=O)N1CCN([C@@H](CNS(=O)(=O)CC2(CC#N)CC2)C(F)(F)F)CC1 1661588691 FAZSSYLNRLSYDO-AWEZNQCLSA-N 454.515 2.083 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cc(OC)c(OCC)c(OC)c1 1690045111 GJKIIYCBEYLULI-SFHVURJKSA-N 451.527 2.156 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCCNC(=O)c2occc2C)CC1 1690115064 QDZTWEIWIHOOEZ-UHFFFAOYSA-N 492.580 2.439 30 10 JEEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(Cn2cccn2)CC1 1690228712 DAQTWQVLBHNPEI-INIZCTEOSA-N 469.409 2.202 30 10 JEEE C=C(Br)Cn1c(Cc2ccccc2OC)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1690230294 XXFMBBJIBGQIDD-HZPDHXFCSA-N 465.348 2.146 30 10 JEEE C=C(Br)Cn1c(N2CCOC3(CCOCC3)C2)nnc1[C@]1(OCC)CCOC1 1690234443 DQQQZDRPUJFEGK-IBGZPJMESA-N 457.369 2.225 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1690663277 RGGUVEQSYLVGLZ-WBVHZDCISA-N 477.656 2.447 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1690676308 VZEQLYGGSDZZGP-NRFANRHFSA-N 495.628 2.358 30 10 JEEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 1690733887 PYJNXJVVDWIZGA-GUYCJALGSA-N 485.598 2.337 30 10 JEEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(N2CCSCC2)CCCC1 1692662576 IBENPZORDLJSJM-MSOLQXFVSA-N 466.677 2.280 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCC(=O)Nc1ccccc1 1692780213 CEYGXNMUTRVOJV-IERDGZPVSA-N 459.576 2.047 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@H]1CCOC[C@@H]1C 1694347510 HHBUDXNEWHDHCU-PKOBYXMFSA-N 497.648 2.109 30 10 JEEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)CCCS2)CC1=O 1698096578 HHJAPMJYRVUCAC-QHCPKHFHSA-N 470.599 2.309 30 10 JEEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(C(C)(F)F)c1)[C@H]1CCS(=O)(=O)C1 1705566276 MTPXRJXRONHZFR-ROUUACIJSA-N 477.537 2.016 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1csc([C@H](C)OC)n1)[C@@H]1CCS(=O)(=O)C1 1705566815 QLXKRUOOTQKUCA-JQHSSLGASA-N 479.628 2.359 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H](C)Oc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1705570056 JXZMMXFKUHQJFC-NQIIRXRSSA-N 483.569 2.497 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H](C)N(C)Cc2ccccc2)CC1 1705634893 LQGZGOHEGVZSGG-GJZUVCINSA-N 466.630 2.206 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CCCS(C)(=O)=O)CC1 1705643176 VFJNOXLGLQIRED-UHFFFAOYSA-N 486.425 2.354 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Br)n2C[C@@H](COC)OC)CC1 1705646080 QGZLCBHCLCCZNN-KRWDZBQOSA-N 490.402 2.335 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2CC[S@](=O)C(C)(C)C)CC1 1705646578 INZILMFDFASSAA-XIFFEERXSA-N 471.627 2.467 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CSc3ccccc3OC)n2C[C@@]2(OC)CCOC2)CC1 1705652489 AZZPJMHEFFZTHM-VWLOTQADSA-N 499.637 2.350 30 10 JEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc(F)c(OC)c2)CC1 1705653112 ZIGJGNBJYWZDFX-UHFFFAOYSA-N 472.590 2.355 30 10 JEEE C#CCSCCn1c(Cc2ccccc2F)nnc1N1CCC(CNS(C)(=O)=O)CC1 1705661155 UAPHZDHJMROXRY-UHFFFAOYSA-N 465.620 2.140 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccc2C)nnc1N1CCN(S(C)(=O)=O)CC1 1705701403 GCTUYMNRPNLRMC-UNMCSNQZSA-N 459.616 2.240 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cccc(NC(C)=O)c2)CC1 1705782532 YWQSLGMHMIVLQT-NRFANRHFSA-N 488.614 2.020 30 10 JEEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@](O)(c1ccccc1)C(F)(F)F)C1CC1 1705849418 MAWRGXFRSUTPLK-IFXJQAMLSA-N 473.521 2.493 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21)C(C)C 1705866946 CZDDHCAAPGLZJB-BHIFYINESA-N 483.661 2.460 30 10 JEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl 1705907370 KLHFNOHDBHPVCE-BEFAXECRSA-N 452.390 2.462 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@@H](Cn2c(-c3cnccn3)nnc2N2CCO[C@@H](C#N)C2)C1 1706157646 AUAFAOIDRJHBPR-SJORKVTESA-N 454.535 2.111 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1Cc1ccccc1OCC1CC1 1706863906 CYARSGFBPAJUNZ-INIZCTEOSA-N 458.588 2.465 30 10 JEEE C#CCCCCn1c(Cc2ccccc2F)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1722317465 PTYNWQYFXGNOGY-UHFFFAOYSA-N 499.616 2.364 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1Cc1cnn(CCOC)c1)[C@@H]1CCS(=O)(=O)C1 1722359552 OPVXQRFDEVWSGX-JOCHJYFZSA-N 482.610 2.025 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1CCOc1ncccc1F)[C@H]1CCS(=O)(=O)C1 1722361684 IXBXYIDVAFWYML-SFHVURJKSA-N 469.542 2.493 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC1CN(C(=O)OC(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1 1722369014 UZLYCARFZFQASV-OALUTQOASA-N 493.630 2.013 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H](CC)OC)[C@@H]1CCS(=O)(=O)C1 1722370332 NETBVBZMQKHGCX-QYZOEREBSA-N 495.646 2.402 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(Br)c[nH]2)n1CC1CCS(=O)(=O)CC1 1722395132 RLZRXWYTGXHUSO-UHFFFAOYSA-N 464.389 2.323 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@@H]2CCCN2CCCO)CC1 1722433478 WRQCTEDFXROPCR-NRFANRHFSA-N 487.446 2.310 30 10 JEEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCOC[C@H]1OC 1722640172 JRLSGYJXZRMMPA-OKZBNKHCSA-N 451.568 2.260 30 10 JEEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](CC2CC2)C1 1722682744 FSCNHOMHQCAKFK-USXIJHARSA-N 468.624 2.204 30 10 JEEE CN(C[C@@H]1CCCCO1)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1729468128 BRGSULVPEJSZHL-FPOVZHCZSA-N 488.614 2.016 30 10 JEEE Cn1ncc(CCCn2c(-c3cccc(Br)c3)nnc2N2CCO[C@H](C#N)C2)n1 1729603351 GTZLLISQKIZEKU-QGZVFWFLSA-N 457.336 2.198 30 10 JEEE C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@@H]1CCC(F)(F)C1)[C@@H]1CCS(=O)(=O)C1 1740617163 NFFRRFLJRXPHND-GVDBMIGSSA-N 460.547 2.064 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1CC1(O)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1740619567 PHBRLBWSAGFLMM-LJQANCHMSA-N 488.610 2.284 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC(C)(C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 1740622791 IQXTWWRJTHKWQB-FQEVSTJZSA-N 470.643 2.397 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCCCCS(C)(=O)=O)CC1 1740689353 BYQSAXVTKITFLG-UHFFFAOYSA-N 486.642 2.117 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCc2sc(C)nc2C)CC1 1740699505 JKNVYQCAXVFLPJ-UHFFFAOYSA-N 469.640 2.341 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@]2(O)CCCC2(C)C)CC1 1740706798 DHCMUKCWNJCKHI-RUZDIDTESA-N 450.587 2.171 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC[C@@H]2COCCO2)CC1 1740707928 VMXSDFPXMRJTFM-OAQYLSRUSA-N 487.988 2.282 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccsc2)nnc1N1CCN(CC(=O)NCC)CC1 1740761773 AILDYCXJWRBCLN-UGKGYDQZSA-N 458.632 2.170 30 10 JEEE C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1740778173 MHDVGDJUKUGEMF-KRWDZBQOSA-N 463.380 2.450 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1740953253 ZQSQLJREOCDACI-MOPGFXCFSA-N 472.565 2.018 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2C[C@@](C)(O)C(C)C)C1 1740979419 JAFSNIYTHCPRAI-BXKMTCNYSA-N 452.559 2.380 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCCO[C@@H](C)C1 1740986031 QLMHFAIUBUCYEE-INIZCTEOSA-N 482.006 2.078 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCS[C@H](C(C)C)C2)nnc1[C@@]1(OCC)CCOC1 1740995543 PGHNNBSVKXTTFI-FXAWDEMLSA-N 458.650 2.109 30 10 JEEE CC(C)(C)NC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)c2ccco2)CC1 1741210092 BATGKMCCYROSQO-UHFFFAOYSA-N 490.568 2.470 30 10 JEEE CCOc1cccc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3nccnc3C#N)C[C@H]2C)c1 1746859828 HRQLJROPLOMIEY-GOSISDBHSA-N 489.584 2.240 30 10 JEEE CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1Cc1ccc([C@H](C)O)cc1 1747186898 CRZGNUHNYOJSFE-SFHVURJKSA-N 464.574 2.156 30 10 JEEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCCn1cc(Br)cn1 1748779375 HXVRVFLANHDICO-UHFFFAOYSA-N 481.362 2.430 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1CC(C)(C)N1CCC(OC)CC1)[C@@H]1CCS(=O)(=O)C1 1748802096 KYDNSZRNDITXBX-GOSISDBHSA-N 465.664 2.092 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1cccc(Cl)c1C)[C@@H]1CCS(=O)(=O)C1 1748811828 MFWIWGFZLKJRDY-GOSISDBHSA-N 458.975 2.315 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H]1N(C)CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1748811858 MQKRABKKKRERFP-AZUAARDMSA-N 456.616 2.087 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1ccnc(OCC(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 1748812411 VHGHVRRTPSMLBW-MRXNPFEDSA-N 494.499 2.284 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2CCNC(=O)c2ccccc2F)CC1 1748993684 IHALDEBVTMGEOR-UHFFFAOYSA-N 452.559 2.255 30 10 JEEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1749044380 QHZIVIGHVSMVIV-MOPGFXCFSA-N 488.683 2.183 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)COC)CC1 1749120360 CZUHJAMNUCXBDK-GHTZIAJQSA-N 470.530 2.130 30 10 JEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2cccc(OC)c2)C1 1749426826 IOJXXFDEJSBRQA-NHCUHLMSSA-N 491.614 2.164 30 10 JEEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)Cc1cnn(C)c1C 1749670628 VHDDBNKAOAWETO-UHFFFAOYSA-N 486.621 2.373 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCCN2CCC[C@@H](C)C2)C1 1749713250 QPTMMQNMCKCFHC-NJDAHSKKSA-N 465.664 2.474 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCc2cccc(F)c2)C1 1749713845 ZLNNOWYIHDDRON-NHCUHLMSSA-N 493.605 2.164 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2cnccn2)n1C[C@@H]1CCOC[C@H]1OC 1749806214 HYEALDLZDFADOX-RBBKRZOGSA-N 463.542 2.311 30 10 JEEE Cc1cccc(O[C@H](C)Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@H](C)CC#N)c1 1751436540 HMDKMTPPROFBGZ-GGPKGHCWSA-N 476.603 2.125 30 10 JEEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@@]1(O)CCS(=O)(=O)C1 1760123502 GXPKTFQSSZGDIG-DJJJIMSYSA-N 473.382 2.171 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCOCC)[C@H]1CCS(=O)(=O)C1 1760188445 PFQRUNURCQMZPR-MOPGFXCFSA-N 495.646 2.056 30 10 JEEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1CCCc1nc(C)no1)[C@H]1CCS(=O)(=O)C1 1760191338 FSRSFSYSJYZYKL-FQEVSTJZSA-N 498.609 2.425 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCc2nc(C(F)(F)F)cs2)CC1 1760252610 SJARFCGBLWPBOV-UHFFFAOYSA-N 490.515 2.399 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)CC1 1760255864 BDVLUMFHBPJBRI-CJFMBICVSA-N 490.649 2.329 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCOc2cccc(C)c2)CC1 1760260991 IQQKNNSOKUDXCQ-UHFFFAOYSA-N 464.595 2.412 30 10 JEEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCC(N2CCCNC2=O)CC1 1760301537 CZVPRDWLLODQAJ-HNNXBMFYSA-N 471.400 2.295 30 10 JEEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1760359220 JLDTXHDSQKZXKP-DHIUTWEWSA-N 495.672 2.483 30 10 JEEE C=CCC(C)(C)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCN(S(C)(=O)=O)CC1 1760414456 RQSUMFPNEIIFCF-UHFFFAOYSA-N 457.604 2.201 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccco1)N1CCCCC1 1760688104 ARCBWZCSPMQSEM-KURKYZTESA-N 463.608 2.304 30 10 JEEE CC(C)CCOC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNS(C)(=O)=O)CC1 1761089156 DZMFHZPOMPVDPA-UHFFFAOYSA-N 460.604 2.397 30 10 JEEE C[C@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCN(CC(F)(F)F)C1 1763034169 BZTNKIQVFQZAQV-RDJZCZTQSA-N 461.492 2.368 30 10 JEEE CCOC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC(F)(F)F)C1 1767303638 BPUCLQSIIWQUDR-INIZCTEOSA-N 479.463 2.210 30 10 JEEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2nccc(C(F)F)n2)C[C@H]1OC 1770303608 AMFSMZXSPOMRTA-HDICACEKSA-N 471.468 2.355 30 10 JEEE CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccc(O)c(O)c1 1862607694 VLNUFBVBEDNKLV-NRFANRHFSA-N 454.479 2.399 30 10 JEEE CCCC[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1)C(=O)Nc1cccc(C#N)c1 1866592934 OTSKEXNMOGRLGG-QHCPKHFHSA-N 497.621 2.422 30 10 JEEE COc1ccc(-n2nnc(C#N)c2NC(=O)CCCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 1870155240 CUBKZVGKBJCOAB-UHFFFAOYSA-N 475.421 2.071 30 10 JEEE COc1ccc(CCn2cc(OCc3ccc(C#N)cc3)c(=O)cc2CN(CCO)CCO)cc1 1870348994 VMLVBKVWVGFEOP-UHFFFAOYSA-N 477.561 2.337 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCCCC)cn1CCN1C(=O)CSC1=O 1870522324 YXGFTBSFZKKODV-UHFFFAOYSA-N 476.599 2.013 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)N(C)C[C@@H]2CCCO2)cn1C[C@@H]1CCCO1 1870550170 LXMLCIHOVZQDBY-VXKWHMMOSA-N 459.587 2.218 30 10 JEEE CC(=O)NCc1nnc(SCC(=O)NCc2ccco2)n1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 1874433127 FPRCRHMBEYVSFH-LIMNOBDPSA-N 491.917 2.360 30 10 JEEE COc1ccc(-n2nnc3c(N4CCN(C(=O)Nc5cccc(C#N)c5)CC4)ncnc32)cc1 1891266327 QDIAZBVSTNVYHW-UHFFFAOYSA-N 455.482 2.445 30 10 JEEE COc1ccc2sc(N3CC(C(=O)N4CCC[C@H](Oc5nccnc5C#N)C4)C3)nc2c1 1891600209 RXYQJYBLQWHYEA-INIZCTEOSA-N 450.524 2.473 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1ccc(Br)c(C#N)c1)C1CS(=O)(=O)C1 2197508389 QOXAYVPRZKXVFP-CQSZACIVSA-N 458.334 2.197 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](O)CN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2255621385 LTNRURWMSYRZKN-LSDHHAIUSA-N 452.382 2.147 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1COC[C@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2255703287 QQBKGPWBIYKMCY-ZIAGYGMSSA-N 452.382 2.317 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CC[S@](=O)(=NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2255853855 VJJIIKAOQXHIRY-AOYOOGHLSA-N 453.370 2.219 30 10 JEEE C[C@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)O)c1cscc1B1OC(C)(C)C(C)(C)O1 2256617111 GXGBSNAPVAJMKK-HEHGZKQESA-N 454.398 2.499 30 10 JEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NCCN(C[C@H](C)O)C(=O)OC(C)(C)C 2267004753 HUUIKLFATDNCFT-AWEZNQCLSA-N 452.357 2.235 30 10 JEEE CCN(CCCNC(=O)c1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C)C(=O)OC(C)(C)C 2267510966 UUPAQWNBTZYKDL-UHFFFAOYSA-N 450.389 2.405 30 10 JEEE CC1(C)OB(c2cnc(C(=O)NC3CC4(C3)C[C@@H]4NC(=O)OCc3ccccc3)nc2)OC1(C)C 2267542164 NSFLSTGBIRRQSZ-CSKUQDPHSA-N 478.358 2.353 30 10 JEEE C[C@H]1[C@@H](NS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CCN1C(=O)OC(C)(C)C 2267704347 LYGBRYWNIWONFK-YOEHRIQHSA-N 467.397 2.057 30 10 JEEE Cc1cc(S(=O)(=O)NCCCONC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2267707462 RDYYFBVYOBNEJD-UHFFFAOYSA-N 470.397 2.419 30 10 JEEE CC(C)(C)OC(=O)N[C@]1(CNS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)CCOC1 2267715799 CRNIWYBUDTWKTK-FQEVSTJZSA-N 488.437 2.009 30 10 JEEE CC(C)(C)OC(=O)N1CC(C2CN(S(=O)(=O)Cc3ncsc3B3OC(C)(C)C(C)(C)O3)C2)C1 2282415766 LXZFRVSVTBMVNF-UHFFFAOYSA-N 499.464 2.071 30 10 JEEE Cn1ncc(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C(F)F)c1B1OC(C)(C)C(C)(C)O1 2282561512 ZUWNHZQQLCWDKU-ZWKOTPCHSA-N 460.334 2.215 30 10 JEEE Cn1cc(C(=O)N2CCC[C@H](CCNC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2282577355 DDRJSDAOGQIVCH-MRXNPFEDSA-N 462.400 2.486 30 10 JEEE Cc1c(C(=O)N2C[C@H](F)C[C@@H]2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282593620 SVEZUXHZWZOGTR-HUUCEWRRSA-N 466.363 2.105 30 10 JEEE CC(C)(C)OC(=O)N1CC2(COC[C@@H](CNC(=O)[C@H]3C[C@H](B4OC(C)(C)C(C)(C)O4)C3)O2)C1 2282626122 DVWCHBGCUUDVCX-BRWVUGGUSA-N 466.384 2.380 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](CO)[C@@H](NC(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2282654190 IRFSHRQFVPNFRC-APWZRJJASA-N 460.380 2.334 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)CC(F)(F)C1 2282677983 GNKJDIFOBRHPLV-UHFFFAOYSA-N 468.310 2.104 30 10 JEEE C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)N(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)C1 2282700934 UMNVZSZWPGFMMH-QZTJIDSGSA-N 453.396 2.097 30 10 JEEE CC(C)(C)OC(=O)NC[C@]1(C)CCCN1S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282831750 DKSSFMXSKXEZJM-QFIPXVFZSA-N 481.424 2.449 30 10 JEEE CC(C)(C)OC(=O)N1CCSC[C@H](NS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282868974 VSXAIIDDZJDWKA-MRXNPFEDSA-N 499.464 2.012 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CC(F)(F)C1 2283068770 OBZGVEKHGYWANG-UHFFFAOYSA-N 468.310 2.104 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@H]2C[C@H]1C[C@@H]2NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2283071150 BFVLIUKQFZEVAL-UGUYLWEFSA-N 458.368 2.197 30 10 JEEE Cn1cc([C@H](NC(=O)OC(C)(C)C)C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)cn1 2283964740 QBNLDSCUQITFTR-KRWDZBQOSA-N 457.340 2.319 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)sc1CNC(=O)[C@H](CCC(N)=O)NC(=O)OC(C)(C)C 2284053771 SOZDNHALTXCEPS-AWEZNQCLSA-N 481.424 2.131 30 10 JEEE CC(C)(C)OC(=O)NC1CC2(C1)[C@H](C(=O)N=c1nc(B3OC(C)(C)C(C)(C)O3)[nH]s1)C2(F)F 2284132593 HJLUBGVPEVZLTL-JVIGMCFJSA-N 486.350 2.136 30 10 JEEE CN[C@](C#N)(Cn1cnc(I)c1I)[C@H]1C[C@H]1C 2307809894 WJJOMHFJFHJLCF-VHSKPIJISA-N 456.069 2.230 30 10 JEEE Cc1nn(C)c(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)OCc2ccccc2)c1B1OC(C)(C)C(C)(C)O1 2334270274 SZUFGORANJHCHH-CMKODMSKSA-N 480.374 2.167 30 10 JEEE Cc1scc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2O)c1B1OC(C)(C)C(C)(C)O1 2343512081 SATBGCCRQTUWRJ-JKSUJKDBSA-N 466.409 2.456 30 10 JEEE C[C@@H](CNC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 2362504537 DFFRADMHDXPJNH-FPTDNZKUSA-N 481.424 2.180 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@]12CC[C@@H](C1)N(C(=O)OC(C)(C)C)C2 2369673017 XHWFEZWZHMEJAW-WNSKOXEYSA-N 460.384 2.300 30 10 JEEE Cc1cc(N2/C(=N\C(=O)CCC(=O)O)S[C@H]3CS(=O)(=O)C[C@H]32)ccc1Br 102706323 SHVWPBFTCFGCCN-ZZJCVSNXSA-N 461.359 2.224 30 10 JEEE COC(=O)c1ccc([C@@H]2/C(=C(/O)c3cnc(C)nc3C)C(=O)C(=O)N2CCCN(C)C)cc1 102757616 AACDPTKPIFGPRY-GOBJLOIFSA-N 452.511 2.253 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)[C@H](C)[S@@](=O)CC(=O)Nc3ccc4c(c3)OCO4)cc21 586315150 NPXRVLAMHSCEPY-UUBFPDNSSA-N 470.503 2.285 30 10 JEEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccnc3ccccc23)c(=O)n1Cc1ccccc1 609431337 QDKSYWTVSAFXSH-UHFFFAOYSA-N 452.539 2.288 30 10 JEEE C#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](CCN(C)C)C(=O)O 757544598 DBQCVBDTKYAWCN-XZOQPEGZSA-N 463.534 2.438 30 10 JEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCCN([C@@H](C)c3ccc(F)cc3)C2=O)c1 1141377931 FIKIWWRPDLCQHL-KKSFZXQISA-N 457.527 2.219 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(-n2ccnc2C)c(F)c1 1286275474 SHAKPMQRWFETAC-HUUCEWRRSA-N 459.551 2.028 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc(C(=O)NCC)cc1 1286285401 MQELJEQNDLQTBW-KRWDZBQOSA-N 479.610 2.494 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(=O)NC(C)(C)C 1286295454 IZBYKNLWNJHWFV-DLBZAZTESA-N 462.595 2.349 30 10 JEEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCCN(c2nccc(OCC)n2)CC1 1286338120 GLAKJDSWDLHZCG-UHFFFAOYSA-N 475.557 2.244 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@@H]1CCC[C@@H](O)C1)[C@@H]1CCS(=O)(=O)C1 1286387061 NKNWSLOXFCLNEI-GUDVDZBRSA-N 458.584 2.132 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1C[C@](C)(O)CCC(C)C)[C@@H]1CCS(=O)(=O)C1 1286388728 VBJJZEXKTWFUHD-NTKDMRAZSA-N 488.610 2.488 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CC2(c3ccc(OC)cc3)CCC2)CC1 1286470724 BMGCCLPOFCLJHT-UHFFFAOYSA-N 450.587 2.302 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCCCN2CCOCC2)CC1 1286472698 BZUVLEYSGFJOTR-UHFFFAOYSA-N 474.556 2.414 30 10 JEEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1286499173 FNGRBNXVJKRAGS-PMACEKPBSA-N 476.624 2.099 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1COCCO1 1286581166 LYEYNGBQCDKIOA-ZWKOTPCHSA-N 451.568 2.404 30 10 JEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1286711949 ROSILYROSSQMEK-SJORKVTESA-N 467.617 2.116 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2C[C@@H](C)N(C)C)C1 1286809267 QNYCAAWGDVMJJD-MSOLQXFVSA-N 451.575 2.406 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H](NC(C)=O)C1 1286815910 BBDWCMCAWFUBGR-FUHWJXTLSA-N 479.578 2.263 30 10 JEEE CCCCN(C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2C#N)CC1 1294223467 FTDLJNOSBYXCBI-FQEVSTJZSA-N 450.591 2.159 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1CCC(=O)N1CCOCC1 1300282983 RMLSLBJVLVVXLW-CYBMUJFWSA-N 452.378 2.476 30 10 JEEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1300766734 IXDRWLQBFMLVLT-UHFFFAOYSA-N 474.656 2.075 30 10 JEEE C=C(C)COCCn1c(-c2cccnc2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1300983753 OPZFMJMXITWYSD-UHFFFAOYSA-N 453.591 2.067 30 10 JEEE C=C(Cl)Cn1c(N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1301061340 SLZDZACPNKFTPA-YKSBVNFPSA-N 489.020 2.420 30 10 JEEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)Nc2ccc(C)cn2)CC1 1301196608 FTKYAKDHKLDMBQ-QGZVFWFLSA-N 475.619 2.413 30 10 JEEE C=CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1301452444 NMKSZNFXYFUDAW-ROUUACIJSA-N 482.651 2.344 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 1301491365 HQBKBUYPKMMCBG-INIZCTEOSA-N 456.572 2.055 30 10 JEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CC[C@](O)(c2cccc(F)c2)C1 1301508779 URWBINCBXPFBRS-JOCHJYFZSA-N 456.547 2.173 30 10 JEEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1301510091 SXNKNFULXYHTKY-UHFFFAOYSA-N 466.586 2.449 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCS(=O)(=O)C(C)(C)C)C1 1301542788 FRSCLQQBAZWREX-XMSQKQJNSA-N 470.636 2.313 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(OC)c(OC)c2OC)C1 1301558422 VMNIQPZCJQVWQT-ZWKOTPCHSA-N 492.598 2.036 30 10 JEEE CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)OC)CC1 1305641952 BSAILUOAQHAYFC-GOSISDBHSA-N 453.591 2.278 30 10 JEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)cc1 1310130240 GESIIPHWIMFTNG-HSZRJFAPSA-N 458.584 2.252 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2C[C@H]2CCCCS2(=O)=O)c1 1358901664 SFCDULLJZFZQST-OAQYLSRUSA-N 478.578 2.364 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCCO3)n2C[C@]2(O)CCSC2)c1 1358901995 CFURCCBAQCPKIT-AUSIDOKSSA-N 455.584 2.444 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC1(O)CCCC1)[C@H]1CCS(=O)(=O)C1 1358956312 DIBAQIJTMMFAEV-MJGOQNOKSA-N 476.574 2.489 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(SC)CCOCC1 1359023642 QKQHDVXLIGFYPB-UHFFFAOYSA-N 482.610 2.190 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCCn2cnnn2)CC1 1359041431 WEALRXQGCHHBNT-QGZVFWFLSA-N 497.991 2.114 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CCS(=O)(=O)C(C)(C)C)CC1 1359042843 WCRVTTHJKYNIGV-UHFFFAOYSA-N 461.588 2.026 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ccccc2OC)CC1 1359165932 ZYLBKMLYODYECW-HXUWFJFHSA-N 461.588 2.019 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)N2CCC(C)CC2)CC1 1359178865 DYHQOSFMAFKHMO-PZJWPPBQSA-N 480.679 2.134 30 10 JEEE C=CCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1359210850 KFZLPIACSQNDEO-UHFFFAOYSA-N 459.917 2.039 30 10 JEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1cccc(C)c1)C1CC1 1359251238 GGLUBBXKOMFBFW-HXUWFJFHSA-N 461.588 2.153 30 10 JEEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1359303758 ZWVPIOXXNHYALO-WBVHZDCISA-N 453.465 2.358 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCN2CCOC[C@H]2C1 1359327613 GJXKLNBFWXAZPC-PKOBYXMFSA-N 496.033 2.193 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(C(=O)Cc2ccccc2C)CC1 1359331923 KPEOZYQUALRDSH-UHFFFAOYSA-N 471.627 2.346 30 10 JEEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 1359337564 VWNGXIURWHHIRM-JKSUJKDBSA-N 488.680 2.301 30 10 JEEE C[C@H](NC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@](F)(C#N)C1)c1ccccc1 1360644977 FCKXJXNSRVVHHL-JKSBSHDWSA-N 477.610 2.460 30 10 JEEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)C(C)(C)C)C[C@@]2(CCOC2)O1 1494252433 HZMVKPOGQAYWAT-MZNJEOGPSA-N 452.559 2.363 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(CN2CCCCC2)cc1 1507517723 RHNLZBMNJRMTIY-RTBURBONSA-N 458.632 2.380 30 10 JEEE C#CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1507592879 UXGOMNIJGREJFW-IBGZPJMESA-N 499.616 2.279 30 10 JEEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CC(=O)N1CCOCC1 1507596111 CKNNORXCXUPLOV-SFHVURJKSA-N 460.579 2.059 30 10 JEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCc1nccc(C(F)(F)F)n1 1507609204 YLISJNQQJWAGOM-UHFFFAOYSA-N 478.504 2.359 30 10 JEEE C#CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC1CCS(=O)(=O)CC1 1507610268 FQPUAWKNJCBBNU-UHFFFAOYSA-N 465.620 2.287 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1C[C@H](C)CN1CCOCC1)[C@H]1CCS(=O)(=O)C1 1507626731 GVOFUEDTGZPWKT-OFNKIYASSA-N 485.654 2.103 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@H](C)N(C)C1CC1)[C@H]1CCS(=O)(=O)C1 1507635563 XEWGUOJWIACVNO-UWJYYQICSA-N 459.591 2.117 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CCc1ccc(S(C)(=O)=O)cc1 1507658399 JKSYOHAOLLRHPK-UHFFFAOYSA-N 476.562 2.035 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)nc1 1507701584 LEABSQXPPIEMFI-LJQANCHMSA-N 469.542 2.411 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccccc2OC)CC1 1507737139 YKPVCLQYSGRWBV-SANMLTNESA-N 481.597 2.341 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)N2CCCC2)CC1 1507913831 CSWNRWDEJGRITO-QGZVFWFLSA-N 466.652 2.329 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1COCCO1 1508041663 JKCIUQCRLBMGDJ-KSZLIROESA-N 451.568 2.103 30 10 JEEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1508042410 HPWJTRCGQOFJPQ-UHFFFAOYSA-N 481.022 2.298 30 10 JEEE C=CCNC(=O)Cn1c(-c2sc3ccccc3c2Cl)nnc1N1CCN(CCOC)C(=O)C1 1508074148 QRKBYCQOLGAJJW-UHFFFAOYSA-N 489.001 2.410 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCc2ccccc2CC1 1508090503 IWSHLBNIFLCYCM-OAQYLSRUSA-N 496.612 2.494 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCO[C@]2(CCOC2)C1 1508136549 SUGKRFKIFKWEPV-VGOFRKELSA-N 480.562 2.154 30 10 JEEE Cc1cnn(C[C@@H]2CN(c3nnc(COc4ccc(C#N)cc4)n3CCC(=O)NC(C)C)CCO2)c1 1511418933 GFBIDPACPXTXQS-QFIPXVFZSA-N 492.584 2.054 30 10 JEEE CCC[C@@H](C)C(=O)NCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1514284437 DORBXBQFOCLBJK-DENIHFKCSA-N 493.612 2.402 30 10 JEEE CN(C)C1(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC(CC#N)CC2)CCOCC1 1516987333 HUNCTOBNHWKWNM-UHFFFAOYSA-N 452.563 2.166 30 10 JEEE C#CCOc1ccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)cc1 1526046227 MMYSCPZOXUZDOS-SFHVURJKSA-N 457.508 2.324 30 10 JEEE C#CCCCn1c(-c2ccccc2OC)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1539111393 SVDQLULFNQFPKI-UHFFFAOYSA-N 463.542 2.424 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccc(OC)c(OC)c1OC)[C@@H]1CCS(=O)(=O)C1 1539203610 SSMIMFMAZOHWDW-QGZVFWFLSA-N 476.599 2.276 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1C[C@]1(O)CCSC1)[C@H]1CCS(=O)(=O)C1 1539210763 DNQUHYOOPJLZKX-MGPUTAFESA-N 485.006 2.232 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCCN1CCCCC1=O)[C@@H]1CCS(=O)(=O)C1 1539212787 SVYVIYBHIOQNAP-GOSISDBHSA-N 491.017 2.023 30 10 JEEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1Cc1cc(C)no1)[C@@H]1CCS(=O)(=O)C1 1539231022 SEFAZMCQDRCKEM-QGZVFWFLSA-N 475.958 2.482 30 10 JEEE C#CCN(c1nnc(COCC)n1CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1539231707 VNDRWWFYSDFABZ-RBUKOAKNSA-N 495.646 2.088 30 10 JEEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CCc1cccc(C(=O)NC)c1 1539298735 AFHDEHPFFRAHCB-SANMLTNESA-N 463.582 2.384 30 10 JEEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1ccc(NC(C)=O)nc1 1539347093 OCPPGWJCCMQTRZ-UHFFFAOYSA-N 480.598 2.408 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H]1CCOc2ccccc21 1539370301 UMPQMCIIGQPYKC-GHTZIAJQSA-N 473.599 2.027 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCN(CCC)C(=O)OC(C)(C)C)CC1 1539428418 RCYOKBRUAKAMDV-UHFFFAOYSA-N 496.616 2.328 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCOC[C@@H]2C)CC1 1539470801 ZYRHEMSPDTZAOJ-FXAWDEMLSA-N 466.542 2.492 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 1539626207 BSVPDRLNNNOEEF-TZIWHRDSSA-N 492.646 2.131 30 10 JEEE C=C(C)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1539716366 ZGEYCMJCVSFGDF-GOSISDBHSA-N 452.559 2.012 30 10 JEEE C=C(C)COCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1539728078 CPBTZZIDCCBPAP-OAQYLSRUSA-N 498.584 2.322 30 10 JEEE C=CC[C@H](Cn1c(N2CCO[C@@H](C(=O)NC)C2)nnc1[C@]1(OCC)CCOC1)c1ccccc1 1539947341 IYMDBATUDPGRIJ-OTPAQWSUSA-N 469.586 2.241 30 10 JEEE C=CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CCNS(C)(=O)=O 1539998906 SCBPZVBSFXJMPY-QGZVFWFLSA-N 470.640 2.344 30 10 JEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)c(COC)c1)C1CC1 1540110069 YTEUWCMPYDIKFA-HXUWFJFHSA-N 479.578 2.100 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC2(O)CCC2)C1 1540892539 NIDBMQBBKONFCG-ZWKOTPCHSA-N 463.579 2.283 30 10 JEEE C[S@@](=O)C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)c1ccccc1 1565736017 CLYBULPBWYGIRJ-IIMAJNMQSA-N 459.593 2.195 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCN1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 1588074143 KJJHIDCZOVDQGO-NJDAHSKKSA-N 475.659 2.085 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCCn2ccnn2)CC1 1588908865 XROPVIFFLSEXSS-UHFFFAOYSA-N 482.976 2.255 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)NC)CC1)C(C)C 1595171349 UWUXOPNWOFNYSA-LEWJYISDSA-N 459.639 2.332 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1 1595544844 MYGXNBRHUBUWNA-OTWHNJEPSA-N 474.606 2.310 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H](C)OC)C1 1595728314 AWIFYIYVCLCUEP-KSZLIROESA-N 451.568 2.403 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](CC)c2ccccc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1595758636 AZGCDHIIXGTKGF-RTBURBONSA-N 466.629 2.044 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCSC[C@@H]1C 1595805875 WVRMNSPUZZZPHU-YJBOKZPZSA-N 450.586 2.333 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1595812491 VWQKWNXNZKQJMS-HKUYNNGSSA-N 490.630 2.214 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1595831156 MIEYHYNQYFEKAU-FZONSQQESA-N 482.647 2.182 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CC1([S@](C)=O)CCC1 1608562415 CEDKQEIWKDRASS-UMSFTDKQSA-N 487.605 2.055 30 10 JEEE CCNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCC=CO2)CC1 1615968433 HASMZDSCUJCANT-FQEVSTJZSA-N 451.531 2.273 30 10 JEEE C=C1CCC(CNC(=O)N2CC(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)C2)CC1 1638264451 MFKPSEGRGCBHPN-UHFFFAOYSA-N 456.609 2.009 30 10 JEEE CC#CC[C@H](CO)NC(=O)c1cccc(NC(=O)C[C@@H]2SC(N3CCCCC3)=NC2=O)c1 1639839686 DQHCZEIUKGCICY-MOPGFXCFSA-N 456.568 2.003 30 10 JEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NN1C(=O)c2ccc(Br)cc2C1=O 1640127750 OHKRDZBMLKIBEZ-CQSZACIVSA-N 450.289 2.383 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@]1(N2CCOCC2)CCSC1 1690006096 ITVYYVOMMOPRKY-HSZRJFAPSA-N 466.567 2.134 30 10 JEEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CC1CCOCC1 1690171132 WZCLCBOKYOSBAD-UHFFFAOYSA-N 452.584 2.421 30 10 JEEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2F)C[C@@H]1C 1690301102 PBFRACYVTIIBNB-ROUUACIJSA-N 480.610 2.335 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CC=CCC1 1690565139 BBIXCJKTMWWIKH-JOCHJYFZSA-N 486.642 2.066 30 10 JEEE C=CCn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 1690625886 BTIBGAUPTQWMFS-SFHVURJKSA-N 452.625 2.213 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1690663381 VANDIXNIKLFYSX-LRDDRELGSA-N 493.793 2.378 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(C)[C@H](C)c1ccc([S@](C)=O)cc1 1690722557 NNQGLIYMIDFGGM-MKTHODDLSA-N 476.628 2.214 30 10 JEEE C=CCSCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCN(S(C)(=O)=O)CC1 1690735993 OYJAWAKXYPRQQM-UHFFFAOYSA-N 473.628 2.336 30 10 JEEE CN(C[C@H]1CCOC1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCCS1(=O)=O 1696765311 AFTWQHBGSPWCAT-QUCCMNQESA-N 459.572 2.169 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2cccc(C)n2)n1CCC(=O)N1CCOCC1 1698048996 FKMMADQRAXXUKN-UHFFFAOYSA-N 489.580 2.422 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1Cc1cscc1C)[C@H]1CCS(=O)(=O)C1 1705558670 DRSMJGBXJKFAKE-SFHVURJKSA-N 463.629 2.241 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ccc(Cl)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1705566239 MNXUTDRWOXJRJK-INIZCTEOSA-N 472.958 2.072 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1C[C@@](O)(c1ccccc1)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1705569472 HOAFAZOGFHLZSY-GHTZIAJQSA-N 482.528 2.307 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1Cc1cnc(C)s1)[C@H]1CCS(=O)(=O)C1 1705571080 VQTIIOMWJOBCQE-SFHVURJKSA-N 459.572 2.448 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCN1CCOC1=O 1705627598 LMUMZXICHZMXBZ-LJQANCHMSA-N 490.605 2.321 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cc(C)on1 1705628958 TUYPRJYHFQHMBA-GOSISDBHSA-N 460.535 2.017 30 10 JEEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCC(S(=O)(=O)CC)CC1 1705664080 JSWVFDRWZMQPCG-UHFFFAOYSA-N 481.669 2.040 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1705699971 NNUVVQIZEVFJRN-LHHMISFZSA-N 456.513 2.283 30 10 JEEE C=C(C)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1705721711 RNTDKRZKYSMTSX-LJQANCHMSA-N 463.604 2.398 30 10 JEEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1705814095 CTQWTTAEOPWMMJ-NQIIRXRSSA-N 459.616 2.472 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCO1 1705864800 NAMLJESCKBSXJS-AZUAARDMSA-N 479.578 2.122 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21)C(C)C 1705866945 CZDDHCAAPGLZJB-BHDDXSALSA-N 483.661 2.460 30 10 JEEE C=CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1CCN(C(C)=O)CC1 1705882171 NVZNKWRFVAORJG-UHFFFAOYSA-N 475.615 2.246 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1705897521 NORAYURQIYXIPI-KRWDZBQOSA-N 487.580 2.490 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)c1ccccc1Cl 1706074706 COTSABYVCJWALK-SIFCLUCFSA-N 451.980 2.337 30 10 JEEE CC(C)c1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1C[C@H]1CCCN1S(C)(=O)=O 1706310790 HZHKEZVGYLSDMM-JOCHJYFZSA-N 485.658 2.409 30 10 JEEE COC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCCO[C@H](C)C2)CC1 1711479121 FIIQHSNDSZJNGQ-HXUWFJFHSA-N 497.600 2.118 30 10 JEEE COCCN(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N(C)C(C)=O)CC1 1712417709 HGIZWVYIQRBOBH-UHFFFAOYSA-N 453.591 2.232 30 10 JEEE C#CCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1722338694 RVNJMDVMVCBFJR-FQEVSTJZSA-N 450.543 2.360 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H](C)Oc1ccccc1C)[C@@H]1CCS(=O)(=O)C1 1722359984 BTIQILMOMJXLLK-RTBURBONSA-N 466.567 2.138 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1CCN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1722361929 KJMHEHQNZXRRLL-IBGZPJMESA-N 487.626 2.075 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2cccc(Br)n2)CC1 1722448630 WNAAZCRHUPCBHE-QGZVFWFLSA-N 487.402 2.344 30 10 JEEE C=C(Br)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1722486669 CJAUPJWMJVSXLA-UHFFFAOYSA-N 498.447 2.452 30 10 JEEE C=C(Cl)Cn1c(N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)nnc1[C@]1(OCC)CCOC1 1722558775 XXJFORSXOLQQQU-FQEVSTJZSA-N 463.926 2.313 30 10 JEEE C=CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1722684158 XLLNLWUXTKDBDM-UHFFFAOYSA-N 479.969 2.476 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 1722692156 FYSHVBIEYRJWSD-TZIWHRDSSA-N 467.618 2.208 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1722736790 IOVYXJNLVPYGHZ-RCCFBDPRSA-N 483.635 2.074 30 10 JEEE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3ccc(C#N)cc3)n2CCCCN2CCC[C@@H]2CO)C1 1722754088 HTIPEYQVFPJSIX-ISKFKSNPSA-N 479.629 2.358 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCc1nc2c(s1)CCCC2 1723932739 CCUBBDFSGTZMLX-VLIAUNLRSA-N 481.623 2.298 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2CCCN2CCC(O)CC2)c1 1740561851 JMVZZZFUPHSXNC-UHFFFAOYSA-N 475.597 2.187 30 10 JEEE C#CCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1740603140 HPEVXOYVCQLSEJ-HKUYNNGSSA-N 452.494 2.269 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H](c1cccc(F)c1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1740621299 LGNNFNZDADMWBG-FGZHOGPDSA-N 482.585 2.409 30 10 JEEE C#CCN(c1nnc(Cc2c[nH]c3ccccc23)n1CCC(=O)N[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1740623911 CNZCTUYUFFOYFV-QUCCMNQESA-N 496.637 2.282 30 10 JEEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1CC1(O)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1740628050 MUUQYZVVPAVGLM-LJQANCHMSA-N 488.610 2.188 30 10 JEEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CC(=O)N(C)Cc2ccccc2)CC1 1740698642 ZPIBGXLJFWCHMR-UHFFFAOYSA-N 463.611 2.048 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1740851344 TWPQGTNBWFLXGN-SFHVURJKSA-N 486.646 2.023 30 10 JEEE C=CCOc1ccc(Cn2c(Cc3cccnc3)nnc2N2CCC(NS(C)(=O)=O)CC2)cc1 1740967691 NTCCVNVZGRQOHP-UHFFFAOYSA-N 482.610 2.395 30 10 JEEE Cc1cc(C(=O)N2CCN(c3nnc(-c4ccc(C#N)cc4)n3CCC(=O)N(C)C)CC2)c(C)o1 1742089876 BUQYFCUCOXADGA-UHFFFAOYSA-N 475.553 2.467 30 10 JEEE CC[C@@H]1C[C@H](C)CN1c1nnc(COc2ccc(C#N)cc2)n1CCN1CCCS1(=O)=O 1744840046 GZUDWNCRBPPXEJ-PKOBYXMFSA-N 458.588 2.389 30 10 JEEE CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1CC1([S@](C)=O)CCC1 1747395534 FKCSBECOGCBANY-JTBPQFFMSA-N 463.629 2.377 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C 1748672364 SPZAPWZPLYYXNE-IXDOHACOSA-N 453.609 2.141 30 10 JEEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 1748724357 AZXOWLAKGFNHFJ-UHFFFAOYSA-N 466.561 2.234 30 10 JEEE C#CCCCn1c(Cc2ccccc2C)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1748756399 LGBPDUFOBHBNJN-UHFFFAOYSA-N 468.583 2.231 30 10 JEEE C#CCN(c1nnc(C(C)C)n1C[C@H](CC(C)C)NC(=O)OCC)[C@H]1CCS(=O)(=O)C1 1748801697 DPSJGXCRLCFHJL-ROUUACIJSA-N 453.609 2.189 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1Cc1snnc1C)[C@H]1CCS(=O)(=O)C1 1748807828 CSBXNEHDHLSYTO-HNNXBMFYSA-N 494.549 2.381 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C(C)(F)F)c1 1748928876 ACXWQNVCFXVCQP-GOSISDBHSA-N 467.542 2.231 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1SCCc2ccccc21 1748963147 ZFMUDZRQKCQOTK-AZUAARDMSA-N 460.625 2.297 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(F)c(F)c2)n1 1748971087 CEZDYBVCBRWNIR-FQEVSTJZSA-N 469.496 2.038 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccsc2Br)CC1 1749001063 FZIWZAITCNMGNO-UHFFFAOYSA-N 493.431 2.254 30 10 JEEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CCN(c2nccc(OC)n2)CC1 1749039805 BWLBNMJCCZAZAU-UHFFFAOYSA-N 479.610 2.369 30 10 JEEE C=CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)OC[C@H]2C1 1749429893 FHTBNECRJMFUPR-IAGOWNOFSA-N 462.551 2.194 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cc2ccncc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1749529251 ALFKYADQDZHGAN-DEOSSOPVSA-N 483.594 2.015 30 10 JEEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@H]([C@@H]3CCOC3)C2)cc1 1749683455 UFPHASQVZHYQFG-DFQSSKMNSA-N 475.615 2.364 30 10 JEEE C#CCCCCn1c(N(C)CCS(C)(=O)=O)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1760142585 GXBVYNWPWPQRDL-CALCHBBNSA-N 453.609 2.333 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(O)CCCCCC1)[C@@H]1CCS(=O)(=O)C1 1760180805 LGGAUZXCAZSHSO-YKSBVNFPSA-N 494.658 2.031 30 10 JEEE C#CCN(c1nnc(-c2ccc(Br)s2)n1C[C@@H](F)COC)[C@@H]1CCS(=O)(=O)C1 1760182884 KUNKACBSRYSJBC-CHWSQXEVSA-N 491.408 2.380 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccccc1OC(C)C)[C@H]1CCS(=O)(=O)C1 1760186428 CMOGILCWDLVOAV-UXHICEINSA-N 458.584 2.244 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CCCc1cccc(C)n1)[C@@H]1CCS(=O)(=O)C1 1760188998 FDKJVONNNNTXGV-JOCHJYFZSA-N 464.595 2.227 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1CCN(C)Cc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1760189958 SLQMXEXFFMHFRD-JOCHJYFZSA-N 482.585 2.238 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@](C)(O)c1ccsc1 1760215082 NYKWOHGPPBMCEK-HSZRJFAPSA-N 458.551 2.353 30 10 JEEE C#CCN(CC)c1nnc(-c2cc(Br)c[nH]2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1760226095 JSVUZTWDHIKQEQ-SFHVURJKSA-N 476.423 2.438 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCS(=O)(=O)C(C)(C)C 1760245348 AARLBGJTPJUKCF-UHFFFAOYSA-N 462.572 2.016 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCCN2CCOC2=O)CC1 1760265748 IKKHMBRCPVULHS-SFHVURJKSA-N 498.559 2.365 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CC(C)(C)c2ccccc2F)CC1 1760271124 MUARIRROMXXCSF-UHFFFAOYSA-N 480.588 2.483 30 10 JEEE C=C(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1760341299 QWIMDRNDFUMFBT-QGZVFWFLSA-N 486.020 2.227 30 10 JEEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1760431385 NTYFQJOASBYLLH-IBGZPJMESA-N 466.590 2.025 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(C[C@H]2CCCO2)CC1 1760515302 CPYCJJMYMASZDH-RBUKOAKNSA-N 472.565 2.160 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1760524465 YJCJTUGRFJFMMO-HXUWFJFHSA-N 453.522 2.159 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C[C@H]2CCOC2)CC1 1760531982 HOAHTINIUKNPBG-HXUWFJFHSA-N 468.602 2.188 30 10 JEEE C=CCSCCn1c(N2CCN(C(=O)N3CCCC3)CC2)nnc1[C@]1(OCC)CCOC1 1760568712 QBIWLXNKFJUVAG-QFIPXVFZSA-N 464.636 2.187 30 10 JEEE Cc1nn(C)c(N2CCN(c3nnc(C(C)(C)C)n3Cc3ccc(N(C)C)nc3)CC2)c1C#N 1762399772 BJVZBDQHSTVUJV-UHFFFAOYSA-N 462.606 2.325 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)COc3cccnc3NC(=O)NCCc3cnc[nH]3)cc21 1858807042 JFLPQDYECCAVOA-UHFFFAOYSA-N 476.493 2.342 30 10 JEEE C=CCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)Cc1cc(Cl)ccc1S(=O)(=O)CC 1861000114 NTTOTMFRJQJIQI-IBGZPJMESA-N 464.971 2.411 30 10 JEEE CC(C)OC(=O)c1ccc(Cn2nnc(C#N)c2NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 1870097110 BBSJFILWCFIQGA-UHFFFAOYSA-N 470.467 2.472 30 10 JEEE C=CCn1cc(OCC(=O)NCc2ccc(OC)cc2)c(=O)cc1CN1CCN(C(=O)OCC)CC1 1870647976 LNXSAXNXTFJKJF-UHFFFAOYSA-N 498.580 2.012 30 10 JEEE C=CCN(CC=C)c1nc(=NCCOCCO)nc(Nc2ccc(I)cc2)[nH]1 1871705632 FEOONQRLQYLISG-UHFFFAOYSA-N 496.353 2.241 30 10 JEEE C=CCn1c(C(=O)NCCN2C(=O)CSC2=O)cc2c(N(CCO)Cc3ccccc3)ncnc21 1873596008 BWCDEPWYSSSKKP-UHFFFAOYSA-N 494.577 2.041 30 10 JEEE COC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)(C)C)C2)n1/N=C/c1ccc(C(=O)O)cc1 1874277719 CZJHFWVNELXIKO-WPZNHYQYSA-N 459.528 2.238 30 10 JEEE CCCn1c(C(=O)NCC#CCOc2cccc(C(F)(F)F)c2)cc2c(=O)n(C)c(=O)n(C)c21 1891466698 ILXLQVWNZUGUNG-UHFFFAOYSA-N 476.455 2.280 30 10 JEEE N#Cc1cc(I)c(OC[C@H](O)CN2C(=O)c3ccccc3C2=O)c([N+](=O)[O-])c1 2085011857 QSDFGKRSSUTCJY-LLVKDONJSA-N 493.213 2.107 30 10 JEEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)NCCn2cnc(I)c2)C1 2221424959 VVANRVFBTZLZQK-UHFFFAOYSA-N 460.316 2.465 30 10 JEEE CC(C)(C)OC(=O)N1CC(CNS(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2255797009 YFNDHVZTIGGIBT-UHFFFAOYSA-N 472.438 2.334 30 10 JEEE CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1csc(B2OC(C)(C)C(C)(C)O2)c1 2255845403 JDRRAZGELIPVIR-CABCVRRESA-N 452.382 2.411 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@H](CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2255878440 YKSHUIOMHWDPGI-CQSZACIVSA-N 452.382 2.413 30 10 JEEE Cc1cc(S(=O)(=O)NOCCNC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2255934250 ZVLHPEOKQZIMDQ-UHFFFAOYSA-N 456.370 2.029 30 10 JEEE CC(C)(C)OC(=O)NCC[S@](C)(=O)=NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2255954481 ZMXDJIOEQLPOPU-PMERELPUSA-N 494.466 2.359 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)CO1 2267156136 FGBKEHIOGLJMSX-KGLIPLIRSA-N 467.397 2.102 30 10 JEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1C[C@H](O)C[C@@H]1CNC(=O)OC(C)(C)C 2267518395 FFZVNQRAFJFWPF-HUUCEWRRSA-N 466.409 2.456 30 10 JEEE Cc1cc(C(=O)N(C)C[C@@H](O)CN(C)C(=O)OC(C)(C)C)oc1B1OC(C)(C)C(C)(C)O1 2267520074 KAWPHZFNPIJVSX-OAHLLOKOSA-N 452.357 2.187 30 10 JEEE Cc1c(C(=O)N(C)[C@H](C)CN(C)C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267529228 YEZAEZJIMZBSCJ-CQSZACIVSA-N 450.389 2.355 30 10 JEEE Cc1c(C(=O)NC2CC3(C2)C[C@H]3NC(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281803594 ZIRXTPTZYAPZEL-UVOCGCJZSA-N 460.384 2.203 30 10 JEEE C[C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)N(C(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)C1 2281830511 MSHKZFMYSXGSHG-CVEARBPZSA-N 462.400 2.485 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC2(CCN(C(=O)OC(C)(C)C)CC2)C1 2282038814 NCYIWRHTXSFIQA-UHFFFAOYSA-N 460.384 2.192 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N=S2(=O)CCC(NC(=O)OC(C)(C)C)CC2)n1 2282042785 FLZOMDODIKFWCA-UHFFFAOYSA-N 482.412 2.015 30 10 JEEE Cn1cc(C(=O)N[C@@]23CC[C@@H](CN(C(=O)OC(C)(C)C)C2)C3)nc1B1OC(C)(C)C(C)(C)O1 2282048496 MMMPIULTYBYCAN-IQMFZBJNSA-N 460.384 2.239 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@]2(C[C@@H](NC(=O)c3ccoc3B3OC(C)(C)C(C)(C)O3)CO2)C1 2282054910 WXPGQQDFJFBBHY-CMJOXMDJSA-N 462.352 2.477 30 10 JEEE CC1(C)OB(c2cncc(S(=O)(=O)N3C[C@@H]4CC[C@H](C3)N4Cc3ccccc3)c2)OC1(C)C 2282346151 MBXYIGTWJBYAOE-OYRHEFFESA-N 469.416 2.418 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H](CNC(=O)OC(C)(C)C)C(F)(F)F 2282536611 FNOSEEARUAJEGY-LBPRGKRZSA-N 476.305 2.152 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]3C[C@H]2[C@@H]1[C@@H]3NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2282583868 PPZCQTCOUBWKIB-AZGDMVHKSA-N 458.368 2.083 30 10 JEEE Cc1cccc(C(=O)N2C[C@@H](O)C[C@H](NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2282643583 CLLAARRILVGAKW-IRXDYDNUSA-N 460.380 2.394 30 10 JEEE CN(C[C@H](O)COCc1ccccc1)S(=O)(=O)c1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2282829559 GRZNSUWOFTXISN-IBGZPJMESA-N 479.379 2.323 30 10 JEEE CC1(C)OB(c2cc(NC3(C(N)=O)CCN(Cc4ccccc4)CC3)ccc2N)OC1(C)C 2283020721 QVKPMFYWPYKZSK-UHFFFAOYSA-N 450.392 2.500 30 10 JEEE COC(=O)[C@H](CC(=O)N[C@H](C)c1nscc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2283916811 WFCOGLGAJVSWGR-OCCSQVGLSA-N 483.396 2.076 30 10 JEEE CC(C)(C)OC(=O)N1CC(CO)(C(=O)N2CCc3ccc(B4OC(C)(C)C(C)(C)O4)cc32)C1 2283973489 QCTOLNJIUSDDNW-UHFFFAOYSA-N 458.364 2.104 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C(=O)Nc3cccc(B4OC(C)(C)C(C)(C)O4)n3)CO[C@H]2C1 2284018497 OSROCEAVAWATBT-OAGGEKHMSA-N 459.352 2.201 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H](CO)C(=O)N1CCCc2ccc(B3OC(C)(C)C(C)(C)O3)cc21 2284046676 DLYIXSSJGWYEMS-KRWDZBQOSA-N 460.380 2.398 30 10 JEEE CC(C)(C)OC(=O)N[C@H](C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F)C1(O)CCC1 2284069342 PMJNIFUGXJZVDZ-OAHLLOKOSA-N 465.331 2.267 30 10 JEEE Cc1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H]1COC[C@@H]1NC(=O)OC(C)(C)C 2285965207 JDVCZJJSFKNDCZ-ROUUACIJSA-N 464.343 2.455 30 10 JEEE COc1ccc2[nH]c(C(=O)O)c(C=Nn3c(S)nnc(Cc4ccccc4[N+](=O)[O-])c3=O)c2c1 2321658111 HOERANIUPQQSTD-UHFFFAOYSA-N 480.462 2.496 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]2CC[C@H]1N2C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2359309828 CZRMTJDKIZIEON-HRCADAONSA-N 458.368 2.294 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(CCNC(=O)OC(C)(C)C)CC(F)(F)F 2362348161 NRHTVMFPXKNGKL-UHFFFAOYSA-N 476.305 2.249 30 10 JEEE CC[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2362348237 ONMJOPXOMCQIJL-JKSUJKDBSA-N 462.400 2.485 30 10 JEEE C[C@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)C[C@H](C)C1NC(=O)OC(C)(C)C 2362352982 HWHCYEBTBBGOJL-GJZGRUSLSA-N 462.400 2.341 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(C)[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2F)n1 2369670637 URIQHNNPWKZJFK-CVEARBPZSA-N 466.363 2.232 30 10 JEEE COc1cc(-c2cc(C(=O)NCC#Cc3ccc(N4CCNC4=O)cc3)[nH]n2)cc(OC)c1OC 96351169 RGIMEENRKBXTMO-UHFFFAOYSA-N 475.505 2.414 30 10 JEEE COc1ccc(NC(C)=O)cc1NC(=O)COC(=O)C1CCN(/C=C\C(=O)C(F)(F)F)CC1 96892613 KMLRVNZINWERQA-YFHOEESVSA-N 471.432 2.492 30 10 JEEE COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccc(OC)c2)cc1 102486576 BXPMOTWUWFUNKQ-RKKARLDVSA-N 452.507 2.458 30 10 JEEE CCOC(=O)[C@@H]1CCCN(c2nc(O)c3c(n2)NC(=O)[C@H](C#N)[C@H]3c2ccccc2[N+](=O)[O-])C1 256033872 SOEKZXPVLVXNAN-XNRPHZJLSA-N 466.454 2.094 30 10 JEEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CCSc1ccccc1 729669654 APTUHJKPVLRZDK-UHFFFAOYSA-N 489.626 2.377 30 10 JEEE N#CCc1ccc(OC[C@H](O)CN2CCC[C@@H](S(=O)(=O)N3CCc4ccccc43)C2)cc1 1169078443 HLSMZWPIQIOEMI-FYYLOGMGSA-N 455.580 2.349 30 10 JEEE C#CCN(c1nnc(CCOc2ccccc2)n1CC1(N(C)C)CCC1)[C@H]1CCS(=O)(=O)C1 1286392726 MXNQCKFIXJCBPW-FQEVSTJZSA-N 471.627 2.011 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](c2ccc(OC)cc2)N2CCCC2)CC1 1286471862 SEVPAONHYQCCIU-HSZRJFAPSA-N 479.629 2.017 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@H](NC(=O)OC(C)(C)C)C(C)C)CC1 1286491798 BTYKKNOIKXXYFP-IBGZPJMESA-N 476.622 2.330 30 10 JEEE C=C(Br)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1286535230 MUUSGICMKUODTA-INIZCTEOSA-N 475.347 2.335 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(OC)c2)nnc1N(C)CC(=O)N1CCOCC1 1286554204 SWKQZQBXUXATKQ-DENIHFKCSA-N 455.559 2.230 30 10 JEEE C=C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H](C)CN2CCOCC2)CC1 1286641346 WPTYKLLTHBJSJE-IBGZPJMESA-N 459.616 2.473 30 10 JEEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 1286699490 DWQQEBXKUMIHIJ-KRWDZBQOSA-N 461.588 2.447 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1286784724 RPNWUTCJSLEQEM-UHFFFAOYSA-N 470.534 2.093 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CC[C@@](C)(C(N)=O)C1 1286814698 DWBBQUHITDAPJU-IVZQSRNASA-N 477.656 2.434 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCN(Cc2cnc(C)s2)CC1 1286816254 DPLSUPVWSVNSRZ-MRXNPFEDSA-N 452.650 2.480 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CC[C@@H](C(=O)OC)C2)nnc1C1(c2ccccc2)CCC1 1286825095 LNQWYCAJAYVCND-GOSISDBHSA-N 458.584 2.348 30 10 JEEE C[C@H](CC(=O)NCC[C@@H](C)N(C)C(=O)OC(C)(C)C)/N=C1/NS(=O)(=O)c2ccccc21 1293239958 CFRNQEDFJRZOGR-HUUCEWRRSA-N 452.577 2.265 30 10 JEEE CCN1CCN(C[C@H](C)Cn2c(-c3cnn(C)c3)nnc2N(C)Cc2cccc(C#N)c2)CC1 1296192276 DXVAKKLFVBSTQV-FQEVSTJZSA-N 461.618 2.460 30 10 JEEE CN(C)C(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1298011021 FONUUNMSBMBGBE-FYYLOGMGSA-N 479.629 2.479 30 10 JEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(Cc2ccc(OC)cc2)C(=O)C1 1300364490 KTEYPRPNTVUUFR-NRFANRHFSA-N 499.637 2.231 30 10 JEEE C#CCCCCn1c(N2CC[C@H](N3CCN(C(C)C)CC3)C2)nnc1[C@@]1(OCC)CCOC1 1300375754 BWPZJFIXLLQWDS-WIOPSUGQSA-N 458.651 2.338 30 10 JEEE C#CCN(C)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1300430140 IANBAJYJNJKGRA-MSOLQXFVSA-N 461.588 2.168 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CCCN1C(=O)OC(C)(C)C 1300553746 QYPRCDLTSVTWPS-ZCNNSNEGSA-N 457.575 2.474 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H](C)N1CCN(CC)CC1 1300577773 BINWJUAPPQWJAZ-URXFXBBRSA-N 462.598 2.280 30 10 JEEE C#CCN(CC)c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1300606292 KZIOASKSNCIFLV-OAHLLOKOSA-N 466.405 2.449 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2ccccc2)CCC1 1300631253 OLVCHHWTGHLOKL-HXUWFJFHSA-N 457.600 2.192 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCn2ccnc2C1 1300671604 LTDOBKHHXFDDFQ-PMACEKPBSA-N 499.616 2.132 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccccc2OCC=C)CC1 1300685482 PABKTJPZULKUIZ-VWLOTQADSA-N 451.571 2.299 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CCCNC(=O)c2cccc(O)c2)CC1 1300718690 UNKOPTDXEMXEQJ-UHFFFAOYSA-N 490.564 2.338 30 10 JEEE C#CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@H](OCCOC)C1 1300755969 BNAPUBNBPHBISS-INIZCTEOSA-N 454.556 2.202 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2F)C[C@H]1C 1300764468 WMIVQWKJCZCPCM-MSOLQXFVSA-N 477.631 2.401 30 10 JEEE CC(=O)c1cccc(S(=O)(=O)NCCC(=O)NC2(c3cccc(C#N)c3)CCOCC2)c1 1300987858 CKYQJDDCXTUWQW-UHFFFAOYSA-N 455.536 2.251 30 10 JEEE C=CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(CS(C)(=O)=O)CC1)C1CC1 1301316264 JIIMRULSTYKLPY-UHFFFAOYSA-N 464.613 2.328 30 10 JEEE C=CCN(CCOC)c1nnc(-c2c[nH]c3ccccc23)n1CCN1CCN(C(C)=O)CC1 1301422727 VHEPPSQISJDGJP-UHFFFAOYSA-N 451.575 2.229 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CCC2(CC1)COC(=O)N2 1301483214 KQJOKVXXLIYJFL-UHFFFAOYSA-N 475.347 2.089 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(Cc3csc(C)n3)n2CC2(S(C)(=O)=O)CCC2)C1 1301566661 PEJKULUVMYWBSE-QGZVFWFLSA-N 451.618 2.382 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1301588213 DCHLCQVBHJQOOS-RTBURBONSA-N 497.662 2.466 30 10 JEEE C=CCSCCn1c(-c2ccccn2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1301604660 YKTUYJULPGJWFN-NQIIRXRSSA-N 455.632 2.248 30 10 JEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H]1CCCc2c1cnn2C 1301611325 BIJMVHXTGYIKEO-WBVHZDCISA-N 450.634 2.347 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccn(-c2ccc(F)cc2)n1 1301952155 HRYADVDZWJAENR-CVEARBPZSA-N 474.566 2.052 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1cccc(C(N)=O)c1 1358891017 YLZDBWGQZNRIKQ-PXNSSMCTSA-N 482.585 2.386 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H](C)c1ccc(OC)cc1 1359010577 UCYKVBCFAWAFIY-GHTZIAJQSA-N 475.615 2.273 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCCO[C@@H]2C(C)C)CC1 1359038077 JTXHXUJBPXIXPT-DENIHFKCSA-N 470.643 2.476 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@H]2CCN(CC)C2)CC1 1359039718 STPGCOIRINLRNN-SFTDATJTSA-N 471.650 2.447 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1359098263 ZICGYQMBFLFTJM-BJLQDIEVSA-N 460.579 2.125 30 10 JEEE C=C(C)COCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(C)=O)C[C@H]1C 1359132890 HPJQZYKPFHUCAN-QUCCMNQESA-N 492.621 2.236 30 10 JEEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1359135816 POBQKLIWRWJNLR-OAQYLSRUSA-N 454.579 2.143 30 10 JEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 1359207992 CGFGZGUAOLAIRM-ZWKOTPCHSA-N 475.619 2.413 30 10 JEEE C=CCCOCCn1c([C@H]2CCCO2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1359229498 KSFREPZPEMUGQD-ILWGZMRPSA-N 460.623 2.101 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 1359300259 XNDODRQDEILQQI-FUHWJXTLSA-N 461.588 2.075 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCCN(c2ncccc2F)CC1 1359304776 JBHWRINUKDPIGN-UHFFFAOYSA-N 495.559 2.419 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](Oc2ccccc2)C1 1359326908 MPJRHZKIMUHOSC-FQEVSTJZSA-N 473.599 2.163 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1359334503 IGNWJPNNLRQUHS-RTBURBONSA-N 472.615 2.248 30 10 JEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc(O)c2)CC1 1359343096 LTRUBPJPSWVWRV-KRWDZBQOSA-N 463.629 2.132 30 10 JEEE Cc1ccn2cc(Cn3c([C@H](C)NS(C)(=O)=O)nnc3N3CCC(CC#N)CC3)nc2c1 1361115188 AKEZRLDCZGZHTA-INIZCTEOSA-N 456.576 2.023 30 10 JEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3csc(Nc4ccccn4)n3)CC2)cc1 1464027152 HBMBPQLPUJABMI-UHFFFAOYSA-N 454.537 2.300 30 10 JEEE C#CCN(CC(=O)NCCOc1ccc2c(c1)OCO2)C1CCN(C(=O)OC(C)(C)C)CC1 1473797320 OIYLMAGZPFLCSS-UHFFFAOYSA-N 459.543 2.245 30 10 JEEE CCN(C)C(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCO[C@H](C#N)C1 1501397389 GZYMELKNEBYTLO-CYBMUJFWSA-N 451.300 2.054 30 10 JEEE CO[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2C#N)CC1)C(C)(C)C 1503983546 CICSBFVGQQRFMW-CTNGQTDRSA-N 486.642 2.440 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)CC)n2CCN2CCN(C(C)=O)CC2)c1 1507549302 ZFGBRBFGMYFKEP-IBGZPJMESA-N 465.602 2.012 30 10 JEEE C#CCN(CC#CC)c1nnc(Cc2cccnc2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1507670052 AOXWXGXAWIWXPX-RUZDIDTESA-N 454.578 2.342 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2CCc2nccnc2C)CC1 1507742303 GPASHOMKCXARSP-UHFFFAOYSA-N 479.535 2.454 30 10 JEEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1CCC(CC(=O)N2CCN(CC)CC2)CC1 1507749982 DZQMNCOTWOUDLC-UHFFFAOYSA-N 469.659 2.410 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCO[C@@H](c2ccccc2)C1 1507830674 PMNPSKYHTFGCPW-UXHICEINSA-N 461.588 2.155 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1507914831 PMNSJQQZZCVWDJ-HXUWFJFHSA-N 471.650 2.356 30 10 JEEE C=CCCOCCn1c(-c2noc3c2COCC3)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1507961497 AAWQEDRSPFWBBG-UHFFFAOYSA-N 473.578 2.229 30 10 JEEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1508048319 QHUVWVBLFOQMCP-UHFFFAOYSA-N 493.655 2.319 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(CC2CCOCC2)CC1 1508075397 WNDGYAQGGPCXNL-UHFFFAOYSA-N 489.020 2.458 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(CN3CCC(O)CC3)cc2)C1 1508109861 VYJASKAQGVFMBH-HSZRJFAPSA-N 482.629 2.203 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H](C)[C@@H]1CC 1508135497 MLEDRZHKUUHJBA-PXNSSMCTSA-N 495.671 2.421 30 10 JEEE Cc1ccc(NC(=O)[C@H]2CCCN(c3nnc(-c4ccc(C#N)cc4)n3CC(=O)N(C)C)C2)nc1 1510948709 HXUGXRLDMVYAAM-FQEVSTJZSA-N 472.553 2.464 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC(C)(C)COC 1513395947 GPRQDAQVDYJXDL-UHFFFAOYSA-N 468.606 2.462 30 10 JEEE C=CCSCCNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1I 1538196319 OXOOTGXQYHLNDE-UHFFFAOYSA-N 454.355 2.191 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccccc1OC)N1CCCC1 1539013511 IUSGUCOGKZFUQH-ZVDOUQERSA-N 471.627 2.484 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1539029301 HECUUDRNBKZCRR-QZTJIDSGSA-N 479.610 2.396 30 10 JEEE C#CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1539118512 ACSOQFUEVFDQPS-VQTJNVASSA-N 489.642 2.433 30 10 JEEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1C[C@H](OC)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1539225505 OJZXKJCNQJBZPZ-UXHICEINSA-N 484.626 2.204 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccccc2Br)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1539252966 IYFVZAUFLOGZLD-MRXNPFEDSA-N 476.400 2.062 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2ccc(O)cc2)CC1 1539452047 JMOQIKGBENEDTE-NRFANRHFSA-N 482.585 2.096 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)CC 1539631500 LLZUWFLVBOBAGO-MANSERQUSA-N 455.625 2.075 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc(C(N)=O)nc1 1539661883 MGEXWQUQBNWYQW-UHFFFAOYSA-N 468.587 2.183 30 10 JEEE C=C(Cl)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1539811835 HLTFDMVTCOBDQI-UHFFFAOYSA-N 461.014 2.027 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN(Cc2cnc(C)s2)CC1 1540872921 FZBWHWSUBWYOPR-UHFFFAOYSA-N 457.629 2.320 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1540900584 ARIUBRYZAWGNNK-KRWDZBQOSA-N 476.603 2.387 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1540905294 VDQWIENIXJFAKA-HXUWFJFHSA-N 488.589 2.019 30 10 JEEE CC(C)(C)OC(=O)N1CC(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@](C)(C(N)=O)C2)C1 1541199570 CBOBTVINOUNXNK-XMMPIXPASA-N 465.558 2.385 30 10 JEEE CC(C)C(=O)NCCn1c(-c2ccccc2F)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1541284466 FASZGJNLNVYJSO-QGZVFWFLSA-N 477.548 2.233 30 10 JEEE CCn1nc(-c2nnc(N(C)[C@@H](C)CC#N)n2CCNC(=O)c2ccco2)c2ccccc2c1=O 1547735004 FXHTVYHQXWQULI-INIZCTEOSA-N 474.525 2.436 30 10 JEEE COCCNC(=O)[C@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CCN1C(=O)c1ccccn1 1548372513 JDASJGAEJKSYFD-LJQANCHMSA-N 461.444 2.066 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CCN(C(C)C)C(C)C)c1 1587692492 FZEHCLKRITVHNP-OAQYLSRUSA-N 465.602 2.404 30 10 JEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(C(=O)N(C)C)CCCC1 1587988892 DFOWZFSBTOLJON-SFHVURJKSA-N 474.606 2.305 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](C)c2ccc(C)cc2)CC1 1588930515 YEJCCHCEAWQNKQ-UGKGYDQZSA-N 483.638 2.258 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCc2n[nH]c(C)n2)CC1 1588947703 UBBBBSIVTKYNGH-UHFFFAOYSA-N 466.977 2.157 30 10 JEEE C=CCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1594760486 IZKHDHPFVSNBLG-IBGZPJMESA-N 466.586 2.268 30 10 JEEE C=CCN(c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(O)CCOCC1)C1CC1 1595058375 KCZCTIFBTLVHOL-GOSISDBHSA-N 463.579 2.283 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1595506611 HFVANNYAPLMONS-HKUYNNGSSA-N 461.950 2.294 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](c2ccc(Cl)cc2)C1 1595755213 TZOAVHJPTSSPJG-LJQANCHMSA-N 494.017 2.346 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC[C@@H](C(N)=O)C1 1595765575 DIRHFKARCDGHGQ-QGZVFWFLSA-N 468.583 2.104 30 10 JEEE C#CCN1CCC(NC(=O)C2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)CC1 1596609675 CRRWSHMKMOOYNV-UHFFFAOYSA-N 457.518 2.320 30 10 JEEE COc1cc(OC)c2c(c1Cl)O[C@@]1(C(=O)/C(=C\NCCNc3ncccn3)C(=O)C[C@H]1C)C2=O 1615248058 UGJVQIMIWDAHEF-CSTJDFICSA-N 486.912 2.225 30 10 JEEE C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cccc(C(=O)NOCC(N)=O)c1 1631793093 FKNXRERHNGEPKV-UHFFFAOYSA-N 457.430 2.233 30 10 JEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(S(=O)(=O)N2CCCC2)CC1 1639508138 VAJCSPDCZVFGGN-MRXNPFEDSA-N 450.001 2.439 30 10 JEEE C=CCO[C@H]1CCN(CC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2N(C)C)C1 1645016372 ZSMLNZVBWBDGKF-SFHVURJKSA-N 450.605 2.143 30 10 JEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCc2cn(-c3ccc(OC)cc3)nn2)cc1 1667956010 HQANKZNGWVCRKX-UHFFFAOYSA-N 456.528 2.404 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCOc1ncccc1F 1689845775 BIJWMGAULIPGEG-HNNXBMFYSA-N 457.535 2.309 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1CCCN1CC)[C@H]1CCS(=O)(=O)C1 1689981885 CYFBMJRGQBMSAP-PMACEKPBSA-N 487.626 2.073 30 10 JEEE C#CCN(c1nnc(C2(c3ccccc3)CCC2)n1CCCC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1689982406 MNWLFIVXJCBREK-OAQYLSRUSA-N 483.638 2.243 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H]1CCCCS1(=O)=O 1690040976 VVDSZYUEESAIOR-LJQANCHMSA-N 454.552 2.147 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCCO[C@H]2CCOC2)CC1 1690132455 QVFUCNPPQJGKPF-QHCPKHFHSA-N 453.587 2.425 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1690249121 UJTYAIGUGLFGBO-UGKGYDQZSA-N 474.631 2.011 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCn1cnc2ccccc21 1690264695 ARERBXVPTFVWJK-NRFANRHFSA-N 487.630 2.453 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](CN2CCCC[C@@H]2C)C1 1690288314 RNMPOVIVMZCDBU-ACRUOGEOSA-N 480.679 2.278 30 10 JEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](c2ccc(C)o2)N2CCOCC2)CC1 1690364226 MBHKDHIOUUMKLM-RBUKOAKNSA-N 478.619 2.020 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2cnn(C)c2)cc1 1690680697 YVWMBEIPRMKLOC-LJQANCHMSA-N 456.572 2.163 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCCN(C(=O)c2ccccc2F)CC1 1690722737 UFYFBYMGVOFGEB-UHFFFAOYSA-N 498.584 2.433 30 10 JEEE CO[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1697123667 CNTJFDOTSKBTNF-GOSISDBHSA-N 478.601 2.436 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H](C)CN1CCN(CC)CC1 1705491000 VQXJYWDIJCJHNR-LEWJYISDSA-N 490.656 2.406 30 10 JEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CC)Cc1nc(O)c2ccccc2n1 1705532656 PURLTBMWYXDZRU-MRXNPFEDSA-N 454.556 2.269 30 10 JEEE C#CCN(C)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1705542105 YHSLCTNFCDCKLK-ZWKOTPCHSA-N 461.588 2.310 30 10 JEEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CC1CCC(F)(F)CC1)[C@H]1CCS(=O)(=O)C1 1705561463 QLFYQAIYAVKRMC-GHTZIAJQSA-N 486.585 2.382 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCOc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1705565255 HOWMWWGORMWZFI-RXVVDRJESA-N 474.583 2.234 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1CC1(C(=O)N(C)C)CCCC1)[C@H]1CCS(=O)(=O)C1 1705566366 NCYSJBGAZOXSAH-SFHVURJKSA-N 463.648 2.142 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 1705587765 IDPPKIKKIRNYIX-PCCBWWKXSA-N 480.613 2.480 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ncnn1C(C)(C)C 1705597594 KYUPRNKCDGNQID-LJQANCHMSA-N 496.616 2.444 30 10 JEEE C=C(Br)Cn1c(-c2cnccn2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1705684824 DFLRKZJMDTXWSQ-MRXNPFEDSA-N 489.422 2.213 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCCN(c2nccc(OCC)n2)CC1 1705695923 ZXEKTYIQKMHTGW-PZJWPPBQSA-N 498.632 2.303 30 10 JEEE C=CCC(C)(C)Cn1c(COc2ccccc2CC)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1705802374 JOKDLKJRFZOXED-IBGZPJMESA-N 466.586 2.169 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CCSC1 1705859498 BGULWSGLZIHWHO-SIKLNZKXSA-N 473.624 2.112 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1705897994 YNKYRLCSXBJUHA-UUOWRZLLSA-N 468.558 2.368 30 10 JEEE C=CCNC(=O)Cn1c(N2CCN(c3cc(F)cc(F)c3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1705908635 GCLQHMOYSVBMND-XMMPIXPASA-N 490.555 2.226 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1705933863 UIKADPFTWQPCKE-CQSZACIVSA-N 461.009 2.069 30 10 JEEE CC(C)COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2COCCO2)CC1 1706521763 AJKZETZDSVRXCG-FQEVSTJZSA-N 454.531 2.147 30 10 JEEE CCN(CC)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1710041470 HRUXOVKXVDXPRM-FQEVSTJZSA-N 485.658 2.409 30 10 JEEE C#CCN(c1nnc(C)n1CCc1ccc(OC)c(OC(F)F)c1)[C@@H]1CCS(=O)(=O)C1 1722365786 PJMCJRBKHWOOOU-MRXNPFEDSA-N 454.499 2.066 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H]1CCS(=O)(=O)C1 1722387277 IZRPQUKNIRVMOL-IBGZPJMESA-N 453.568 2.045 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCC(=O)N[C@H](C)CC 1722395068 OZNXIVHDHSBZFF-GOSISDBHSA-N 483.642 2.314 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC(C)(C)OCC)CC1 1722436759 FBMUOQATFHMILP-IBGZPJMESA-N 476.622 2.157 30 10 JEEE C#CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@@H](COCC)C1 1722458086 WCRYOIDBYBSVHS-QGZVFWFLSA-N 462.645 2.467 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cc(F)cc(F)c1 1722554758 HIXAEGJZRPLBDA-INIZCTEOSA-N 461.922 2.278 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(C)(C)C)CC1 1722587889 DGAZIIPGZACMKH-GOSISDBHSA-N 468.668 2.134 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cnn(C)c1C 1722707809 ZJVISKMBQSAKOZ-IBGZPJMESA-N 470.599 2.472 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC2(S(C)(=O)=O)CCCC2)C1 1722710091 DCFSCVWDBVJVAK-WMZHIEFXSA-N 482.647 2.457 30 10 JEEE C=CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1722735235 LLACQWWIGZYNDH-MRXNPFEDSA-N 450.586 2.259 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@]1(N(C)C)CCSC1)[C@H]1CCS(=O)(=O)C1 1740624784 KBYQDVWGMUZZGP-NZQKXSOJSA-N 491.658 2.072 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@@H]1CCC[C@H]1OC)[C@H]1CCS(=O)(=O)C1 1740628394 PYYAVPQBJOOXSN-HFSMHLIXSA-N 476.574 2.438 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H](C)N(C)C2CC2)CC1 1740707196 SVDUHHUKUNZKNV-GOSISDBHSA-N 452.578 2.457 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Br)c2)n1CCNS(C)(=O)=O 1740727727 WQHQVSFCIYGAHU-GOSISDBHSA-N 452.378 2.249 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ncc(CC)s1 1740774554 VDFVPMIAZUDEDX-INIZCTEOSA-N 454.622 2.081 30 10 JEEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)=C(Br)C1 1740810194 AGCWUTVREPJWSZ-CQSZACIVSA-N 480.816 2.243 30 10 JEEE C=CC[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)NC)CC1)c1ccccc1 1740854252 DYDPIXOSMIFAIO-UXHICEINSA-N 472.615 2.002 30 10 JEEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC(OC(C)C)CC1 1740952331 AGIUVYVPHNNCMJ-UHFFFAOYSA-N 489.646 2.243 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@H](C(C)C)C1 1740986453 YGNMLRIJJDTBCV-IBGZPJMESA-N 496.033 2.324 30 10 JEEE CCOCc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CCc1nccnc1C 1747186976 DOAVLFFPSIYMLL-UHFFFAOYSA-N 450.522 2.493 30 10 JEEE C#CCCCCn1c(-c2cnccn2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1748712521 KJYMGAYAUFILEZ-OYRHEFFESA-N 464.618 2.165 30 10 JEEE COc1ccc(CCc2nnc(N3CCO[C@@H](C#N)C3)n2CC2(C(=O)N(C)C)CCCC2)cc1 1748725395 AYTSILPRQRQLSS-NRFANRHFSA-N 466.586 2.449 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCc1cc(F)cc(F)c1)[C@@H]1CCS(=O)(=O)C1 1748818481 ZXXXXDOTNMRGKZ-FXAWDEMLSA-N 464.538 2.320 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@@H]1CCSC1)[C@H]1CCS(=O)(=O)C1 1748823932 FUCCFPJZYALMNN-WMZOPIPTSA-N 464.588 2.376 30 10 JEEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1Cc1ccccc1CN1CCCC1=O 1748855779 KWWYHFMMUGGPFK-UHFFFAOYSA-N 455.566 2.383 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCSC 1748964179 HDVHTMTXFHRCHZ-QGZVFWFLSA-N 453.609 2.426 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H]2CCCOC2)CC1 1749018598 AMSYUOHFENYWTP-SFHVURJKSA-N 455.534 2.389 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccn2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1749127174 KFBVVRIUQMLEBW-MZKRTTBSSA-N 467.618 2.358 30 10 JEEE C=CCC(C)(C)Cn1c(N2CCN(C(=O)CN3CCCC3)CC2)nnc1[C@]1(OCC)CCOC1 1749377238 PAYFOBGGPNHRRU-VWLOTQADSA-N 474.650 2.277 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1749531732 MSWDDWMRCIJHMX-YVURAWIMSA-N 473.537 2.373 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCN2CCOC[C@@H]2C1)C(C)C 1749557447 JJQRTTWNPYGYHW-XPWALMASSA-N 458.651 2.392 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCCN(c2nccs2)CC1 1749681260 ZTSMCODIXOWOGY-UHFFFAOYSA-N 471.562 2.472 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2CC2(NC(=O)OC(C)(C)C)COC2)C1 1749710336 WERHJSLUZZZRTF-ZWKOTPCHSA-N 463.579 2.247 30 10 JEEE C[C@@](O)(Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1)C1CC1 1751241020 DEBOTTHXXWDCNT-HRAATJIYSA-N 462.476 2.483 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@]2(C)[C@@H](C1)C2(Cl)Cl 1760155491 ZQSFEEQZBLXCBC-HDMKZQKVSA-N 476.430 2.045 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@@H]1CCC[C@@H]1OC)[C@@H]1CCS(=O)(=O)C1 1760183127 MOZMQRAIAHOWCC-ZVDOUQERSA-N 458.584 2.396 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1ccnc(SC)c1)[C@H]1CCS(=O)(=O)C1 1760188562 PGXWNBAMJJVWJK-ROUUACIJSA-N 461.613 2.312 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCO[C@H]1CCOC1 1760232661 JWMNNBDMAZCMIF-SFHVURJKSA-N 450.543 2.330 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2Cc2ccccc2COC)CC1 1760271761 KUHKABJAXRKJBE-UHFFFAOYSA-N 458.566 2.424 30 10 JEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2cc(F)cc(C)c2C1 1760275316 VHMBSCPSAJDACE-HNNXBMFYSA-N 451.593 2.265 30 10 JEEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](c2cccc(F)c2)C1 1760280653 GZALZMBRGCKFFN-AZUAARDMSA-N 493.630 2.110 30 10 JEEE C=C(Br)Cn1c(N2CC[C@@H](N3CCN(CC)CC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1760314117 JPEUCGGWCXWUKF-KNQAVFIVSA-N 497.482 2.444 30 10 JEEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)C(C)C)CC1 1760360193 UNHSIBSVVFGLER-UHFFFAOYSA-N 460.604 2.167 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)Nc2ccccn2)nnc1N1CC(=O)N(C)C[C@H]1C 1760532526 XGAXHZHSWOWNPV-QGZVFWFLSA-N 461.526 2.205 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCS[C@H](C(C)C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1760558274 LANCCEASGREHIR-GHTZIAJQSA-N 472.677 2.497 30 10 JEEE CC(=O)N1CCN(CCn2c(COc3ccc(C#N)cc3)nnc2N(C)CC2CCC2)CC1 1760624305 HQKCMUCTGGYAEA-UHFFFAOYSA-N 451.575 2.129 30 10 JEEE CCC[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1)OC 1765573723 DRYISUCOOIYPRX-YADHBBJMSA-N 486.642 2.189 30 10 JEEE CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 1766877820 IEJSRLXKIRYRSC-OAQYLSRUSA-N 480.491 2.347 30 10 JEEE CN(CC(F)(F)F)c1nnc(COc2ccc(C#N)cc2)n1CC(=O)NCC(F)(F)F 1768615135 ADJGUWOCWFDZDT-UHFFFAOYSA-N 450.343 2.406 30 10 JEEE CS(=O)(=O)[C@@H]1CCCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(C(N)=O)CCCC2)C1 1770312047 FAZIVARDMYZYEZ-LJQANCHMSA-N 470.599 2.266 30 10 JEEE N#C[C@]1(F)CCN(c2nnc(COc3ccccc3F)n2CCS(=O)(=O)CC2CC2)C1 1771530229 FLAJXBNKKRWVPT-HXUWFJFHSA-N 451.499 2.263 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1772660417 UUBUEVCBBRBVFP-SFHVURJKSA-N 470.599 2.111 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)COc2cccnc2NC(=O)N2CCC(=O)CC2)nc1C 1858816588 WVYJPPUBWANLJN-UHFFFAOYSA-N 473.511 2.404 30 10 JEEE COc1ccc(N2C[C@H](c3nnc(SCCO)n3/N=C/c3ccc(O)cc3)CC2=O)cc1 1874197845 CRISGWWQEGQIHA-DXRSZSRVSA-N 453.524 2.479 30 10 JEEE C=CCN(CC=C)C(=O)c1cc2c(NCc3ccc(S(N)(=O)=O)cc3)ncnc2n1CCOC 1875226224 VHYRYIUFLOCYPG-UHFFFAOYSA-N 484.582 2.151 30 10 JEEE Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CCC(=O)N1CC=C(c2cncc(C#N)c2)CC1 1891209137 RTOZRAJWVVFCOQ-OAQYLSRUSA-N 453.568 2.375 30 10 JEEE CC1(C)OB(c2ccccc2CCNS(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)OC1(C)C 2131214861 VAADLTLUXHDPKF-UHFFFAOYSA-N 498.410 2.134 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H](C(=O)NCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2185161552 IECAXXIOYUGEQO-IEBWSBKVSA-N 460.380 2.220 30 10 JEEE CO[C@H]1[C@@H](C(=O)N2CC=C(B3OC(C)(C)C(C)(C)O3)CC2)N(C(=O)OC(C)(C)C)C[C@H]1OC 2205486416 HXBJIQZEDTVYLX-FGTMMUONSA-N 466.384 2.426 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCc1sccc1B1OC(C)(C)C(C)(C)O1 2256614542 OFKDSDQPERYKIX-UKRRQHHQSA-N 452.382 2.034 30 10 JEEE C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2256616095 ZLSACZWDFWWFJM-QWHCGFSZSA-N 452.386 2.091 30 10 JEEE CC(C)(C)OC(=O)NCC1(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)CCCC1 2256626476 KJUBIFGOOZRFDU-UHFFFAOYSA-N 452.386 2.283 30 10 JEEE Cc1cc(S(=O)(=O)N2C[C@H]3[C@H](NC(=O)OC(C)(C)C)[C@H]3C2)sc1B1OC(C)(C)C(C)(C)O1 2267362208 OJGTTZMIZXOACV-FOLVSLTJSA-N 484.449 2.499 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)CCCO1 2267479758 PRZPCDUCFJXKSF-CQSZACIVSA-N 467.397 2.198 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)s1 2267568490 RPEUQOZPAAPHIZ-JOCHJYFZSA-N 466.409 2.457 30 10 JEEE CC1(C)OB(c2ccsc2S(=O)(=O)NC[C@@H]2CCCN(C(=O)C(F)(F)F)C2)OC1(C)C 2267716189 JJEYVKPXHPVBJG-LBPRGKRZSA-N 482.355 2.127 30 10 JEEE CC(C)(C)OC(=O)NC[C@@]1(C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)CCCO1 2268606733 MUOWJPHYTHEPIV-OAQYLSRUSA-N 467.397 2.132 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CC(=O)NCc2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2268629417 WGFNGWRXJMWCOH-WMLDXEAASA-N 466.409 2.281 30 10 JEEE CC(C)(C)OC(=O)NCCCN(CCO)C(=O)c1cc(F)ccc1B1OC(C)(C)C(C)(C)O1 2281788565 CLDLVKOPKCJVPR-UHFFFAOYSA-N 466.359 2.474 30 10 JEEE Cc1nn(C)c(C(=O)N2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)c1B1OC(C)(C)C(C)(C)O1 2281983077 RHGJGKLGXZSYQJ-JKSUJKDBSA-N 460.384 2.109 30 10 JEEE CCON(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)c(C)nn1C)C1CN(C(=O)OC(C)(C)C)C1 2281984689 DTGIMJKLZXCLLI-UHFFFAOYSA-N 464.372 2.041 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CC(F)(F)C1 2282013370 IRJGZPHUKJUDNF-UHFFFAOYSA-N 468.310 2.104 30 10 JEEE CC(C)(C)OC(=O)NCCCOCCNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2282048917 RNGILLFLGJOWBL-UHFFFAOYSA-N 467.347 2.181 30 10 JEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N 2282306285 LINHKQIBFPYCNM-HNNXBMFYSA-N 497.448 2.489 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@@]2(NS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2282493266 SLLRQBPHWZIIIL-SPLOXXLWSA-N 499.464 2.261 30 10 JEEE CC1(C)OB(c2ccc(S(=O)(=O)N3C[C@H]4C[C@H]3CN4C(=O)C(F)(F)F)c(Cl)c2)OC1(C)C 2282496231 XMWCCWWSRLCLRB-OLZOCXBDSA-N 494.728 2.175 30 10 JEEE C[C@H]1CN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C[C@H](C)N(C(=O)OC(C)(C)C)C1 2282676283 JLOZVZVQYNQUNM-HOTGVXAUSA-N 460.384 2.493 30 10 JEEE CC(C)(C)OC(=O)N1CC2(CC[C@@H](C(=O)NCc3ncc(B4OC(C)(C)C(C)(C)O4)s3)O2)C1 2284132407 FSERLAPHQYRVMZ-AWEZNQCLSA-N 479.408 2.227 30 10 JEEE Cc1nc(NC(=O)[C@H]2C[C@H](NC(=O)OC(C)(C)C)CCO2)ncc1B1OC(C)(C)C(C)(C)O1 2284136982 IYUZQXFTABOTLL-GDBMZVCRSA-N 462.356 2.095 30 10 JEEE C[C@@H](O)CN(CCNC(=O)OC(C)(C)C)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1O 2285348913 ZYGYXVQXPCBOFT-OAHLLOKOSA-N 464.368 2.039 30 10 JEEE CC(C)[C@H](NC=C1C(=O)Oc2ccccc2C1=O)C(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 2297633213 IQHJGGLBCFGABZ-DGGJZMOXSA-N 461.518 2.094 30 10 JEEE COc1ccc(NC(=O)[C@@H](CO)CNC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2339739729 WQHVHYPCZWOJJV-CQSZACIVSA-N 450.341 2.066 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2C[C@@H]3[C@H]2CCN3C(=O)OC(C)(C)C)n1 2359278356 MNQSFDRNVZFEQN-BHYGNILZSA-N 460.384 2.330 30 10 JEEE CC(C)(C)OC(=O)N1[C@H](CNC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C[C@H]2COC[C@@H]21 2362574535 LEKZCZKMJOQFJU-DZKIICNBSA-N 479.408 2.197 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](CNC(=O)c2csc(B3OC(C)(C)C(C)(C)O3)c2)N2CC[C@H]1C2 2368741875 GJXPYGZISROWFJ-IRXDYDNUSA-N 477.436 2.471 30 10 JEEE Cc1ccc(NC(=O)CNC(=O)CNC(=O)OC(C)(C)C)c(F)c1B1OC(C)(C)C(C)(C)O1 2381161747 UUNSYJBBECKBIG-UHFFFAOYSA-N 465.331 2.013 30 10 JEEE C=CCn1/c(=N/C(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)sc2cc(C(=O)OCC)ccc21 13791831 HVOKKZHSTOWTCN-MSVBSMQLSA-N 451.570 2.164 30 10 JEEE N#Cc1ccccc1S(=O)(=O)N1CCN([C@H]2CC(=O)N(c3cccc4ccccc34)C2=O)CC1 15463246 HLOHPIUNLXNOGQ-QFIPXVFZSA-N 474.542 2.350 30 10 JEEE Cc1nn(CCO)c(C)c1/C=N/Nc1nnc(SCC(=O)Nc2ccc(Cl)cc2Cl)n1N 59914590 ITLZXTDSNSQDLR-GZIVZEMBSA-N 498.400 2.281 30 10 JEEE C=CCn1c(=O)c2ccc(C(=O)NCC(C)C)cc2n2c(=O)n(CC(=O)Nc3cccc(C)c3)nc12 64581554 RQDZRHMHXJHRIF-UHFFFAOYSA-N 488.548 2.330 30 10 JEEE N#C[C@@H]1C(=O)Nc2nc(NCc3ccc4c(c3)OCCO4)[nH]c(=O)c2[C@@H]1c1ccc([N+](=O)[O-])cc1 72472513 IDAQJRQJYBTPJA-MAUKXSAKSA-N 474.433 2.285 30 10 JEEE COc1cc([C@@H]2/C(=C(/O)c3ccc(C)o3)C(=O)C(=O)N2CCN2CCOCC2)cc(OC)c1OC 102509011 NASHGJLBPWQSGU-SADKCHQCSA-N 486.521 2.368 30 10 JEEE C#CCNC(=O)CN1CCN(C(=O)c2cc(-c3ccc(F)cc3)nc3onc(C4CC4)c23)CC1 728531103 BXLXOPJJHKGGPY-UHFFFAOYSA-N 461.497 2.414 30 10 JEEE CCN(C(=O)C#CCNC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H]1COC[C@@H]1C(=O)O 757479395 KYDQXVIEGLTFQE-XZOQPEGZSA-N 462.502 2.477 30 10 JEEE C=CCNC(=O)CN1CCN(C(=O)c2cc(S(=O)(=O)N(C)c3ccccc3)ccc2Cl)CC1 758651087 SFUNAHUPGXNYDR-UHFFFAOYSA-N 491.013 2.225 30 10 JEEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3ccc(N4CCCCC4)cc3)CC2)cc1 918309030 BMXXKUDPOZSVRY-UHFFFAOYSA-N 481.578 2.020 30 10 JEEE CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)/C(=C(/C)NCCn3ccc(C)n3)C(=O)[C@]12C 1075950127 GSGQIGPKDOZXIF-VTUIFRMYSA-N 451.479 2.363 30 10 JEEE CC(C)CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1 1136570330 DIXIIJCUZAURGF-JOCHJYFZSA-N 459.554 2.252 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@](C)(O)CCC(C)C)[C@@H]1CCS(=O)(=O)C1 1286388726 VBJJZEXKTWFUHD-DVECYGJZSA-N 488.610 2.488 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H](c2cccs2)N(C)C)CC1 1286472812 LQRHLEGZSFPBBT-CVDCTZTESA-N 458.632 2.050 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@H](C(C)C)N2CCOCC2)CC1 1286488095 SVWVYVMFMGLXMN-XMMPIXPASA-N 494.640 2.276 30 10 JEEE C=C(C)COCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCO[C@H](C(=O)NC)C1 1286604889 QAHFDTHZPPSOGO-SFHVURJKSA-N 494.390 2.260 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1286778482 BEFJIXUWEPMFOP-OXJNMPFZSA-N 469.521 2.171 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](CNC(=O)Nc2ccc(C)cc2)C1 1286787171 QDLITBPGRSAGMW-IBGZPJMESA-N 491.600 2.327 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2Cc2nncn2CC)C1 1286802409 AXQFOWLVUSFTIO-OAHLLOKOSA-N 461.368 2.487 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@@H](C)C[C@H](C)C1 1286815543 ATCRAXPDJZCQCL-IRXDYDNUSA-N 456.576 2.004 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1286821211 DFUYYTVPMOBBLI-ICSRJNTNSA-N 459.616 2.151 30 10 JEEE CC(C)(C)OC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCS(C)(=O)=O)CC1 1287054389 DJGKQJHMTIWLSY-UHFFFAOYSA-N 474.587 2.309 30 10 JEEE CC(C)OC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2cc(CO)nn2)CC1 1288344343 DIGZHZGLOAGLQW-UHFFFAOYSA-N 450.547 2.385 30 10 JEEE CCN1CCN([C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N(C)Cc2ncnn2CC(F)F)CC1 1296124154 FPPXZESZCFEMIR-GOSISDBHSA-N 498.586 2.336 30 10 JEEE CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CN(CC(C)C)CCO1 1297653186 GPQDIDUXVKEMEU-SIKLNZKXSA-N 488.658 2.433 30 10 JEEE CN(c1nnc(COc2ccc(C#N)cc2)n1CCCN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1298187277 HWPVPNHWOYRQLH-HXUWFJFHSA-N 472.615 2.228 30 10 JEEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1300391213 JLBNGRYNUBCXFC-LJQANCHMSA-N 466.542 2.486 30 10 JEEE C#CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1300403871 QPYSVQMZBARRCK-IRXDYDNUSA-N 470.599 2.346 30 10 JEEE C#CCN(c1nnc(CCOc2ccccc2)n1C[C@@H]1CCC[C@H](O)C1)[C@@H]1CCS(=O)(=O)C1 1300501937 ONNGIQMDQVXPOA-NJYVYQBISA-N 472.611 2.077 30 10 JEEE C#CCN(c1nnc(COc2ccccc2CC)n1CCC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1300504713 QWXOGVKHZGEAKZ-LJQANCHMSA-N 460.600 2.207 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCN(c2ccccc2OC)C1 1300651027 ZGFGAYVEUVSDFR-HXUWFJFHSA-N 466.586 2.135 30 10 JEEE COc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@]1(N(C)C)CCSC1 1300658083 AOOIGWYAAOGNBN-JTSKRJEESA-N 458.588 2.032 30 10 JEEE C=C(Br)Cn1c(COCC)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1300861446 IVEYVAKEOVMXOH-YJBOKZPZSA-N 469.428 2.102 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1300872624 GIMYMIOQTVYQCP-WDSOQIARSA-N 473.578 2.447 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1300875641 NUUHJEYLJXEWQK-HIUFNZKISA-N 451.527 2.158 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCC(C)(C)COC)CC1 1301087141 VQWOADAXMGTYIJ-SFHVURJKSA-N 455.625 2.220 30 10 JEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)NC2CCCCC2)CC1 1301258622 WRTNYGLPKVMQQN-FQEVSTJZSA-N 493.674 2.438 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCS(=O)(=O)C1 1301338492 ZSNRIKHPKDNKJP-IBGZPJMESA-N 473.599 2.036 30 10 JEEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 1301429278 PLJPXUMUSYIJEO-AWEZNQCLSA-N 450.521 2.030 30 10 JEEE C=CCn1c(-c2cc(Br)cn2C)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1301434130 HYDVJOVMUPKDAL-UHFFFAOYSA-N 463.380 2.307 30 10 JEEE C=CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@@H](C(=O)NC)C1 1301611498 CRSMVRLTQZVBTK-LJQANCHMSA-N 470.647 2.334 30 10 JEEE C[C@H](CC#N)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCCCS1(=O)=O 1303627166 FLFJAVDAFMIOAN-QAPCUYQASA-N 465.601 2.054 30 10 JEEE CNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1314933783 HXTVAVWDRCNWNF-QGZVFWFLSA-N 451.575 2.282 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1C[C@]1(O)CCSC1)[C@@H]1CCS(=O)(=O)C1 1358958858 XIJJUJKSHXHIJD-IIBYNOLFSA-N 497.042 2.102 30 10 JEEE C#CCN(c1nnc([C@@H]2COc3ccccc3O2)n1CCCN(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1358963033 AOPYTYNTZSCFOM-UGKGYDQZSA-N 487.626 2.148 30 10 JEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1CCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1358964526 ANWXGWFTCOQPQB-FQEVSTJZSA-N 473.002 2.354 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCSCCCO 1359010101 GRZXNORGFKOJHY-KRWDZBQOSA-N 453.609 2.162 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(OC(F)F)c(OCC)c2)CC1 1359028582 XDXSKSHWAPLBKS-UHFFFAOYSA-N 488.539 2.318 30 10 JEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C(C)=O)cc2F)CC1 1359048608 WPKKXTPZENRNKH-UHFFFAOYSA-N 472.590 2.451 30 10 JEEE C=C(C)COCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)NC)CC1 1359126661 VDXRESADDZVZCD-UHFFFAOYSA-N 455.563 2.201 30 10 JEEE C=CC1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC1 1359182594 MDWWWFQGIPMJGA-BDTNDASRSA-N 474.650 2.347 30 10 JEEE C=CCN(Cc1cccs1)c1nnc(-c2nnc(O)c3ccccc23)n1CCS(=O)(=O)NC 1359262897 IVJMJEIUOGXACR-UHFFFAOYSA-N 485.595 2.397 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1359326469 AVZPEQWYPCTDRA-QFIPXVFZSA-N 476.603 2.168 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1C[C@H](C)O[C@H](c2ccsc2)C1 1359331365 WNRQGXZSOZBVSN-YJBOKZPZSA-N 462.601 2.307 30 10 JEEE CC(C)(C)OC(=O)NC[C@]12CCC[C@H]1CN(C(=O)CC/N=C1/NS(=O)(=O)c3ccccc31)C2 1452917394 AHCLBMMBKXPJRB-HJPURHCSSA-N 476.599 2.269 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1CCN(CC)C1CC1)[C@H]1CCS(=O)(=O)C1 1507634157 LSIAGORGGXBJCQ-FQEVSTJZSA-N 459.591 2.119 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@H]2CC2(C)C)CC1 1507734608 QMHHAXHJIAQBON-FQEVSTJZSA-N 498.653 2.207 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Cl)n2CC2(CS(C)(=O)=O)CC2)CC1 1507736578 NSJMZYPXIWXYHB-UHFFFAOYSA-N 490.029 2.389 30 10 JEEE C#CCSCCn1c(-c2cnccn2)nnc1N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 1507750123 JEPHPTJDOUMWTN-GHTZIAJQSA-N 465.631 2.354 30 10 JEEE C#CCSCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CC(=O)N(C)C[C@H]1C 1507751911 PDXUNEGFNZETRA-QGZVFWFLSA-N 479.610 2.269 30 10 JEEE C=C(C)CN(CC)c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CCS(=O)(=O)CC1 1507822658 ZJHKBMHCAUSVQE-UHFFFAOYSA-N 459.572 2.071 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCC(C)CC2)CC1 1507844199 DUQMJBHNUUZHBK-NYLDSWQDSA-N 465.664 2.474 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC=C(C(F)(F)F)CC1 1507868506 LEOXLXOHLVPEOY-ZDUSSCGKSA-N 455.890 2.062 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(C)CN(C)C1=O 1508018625 HETXGDUNMGALOX-GAJHUEQPSA-N 460.579 2.243 30 10 JEEE C=CCc1ccc(OCC(=O)N2Cc3ccccc3C[C@H]2C(=O)NCCN(C)C)c(OC)c1 1534009375 NCMFNVBPRSAIHC-QFIPXVFZSA-N 451.567 2.434 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1CC(C)(C)c1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1539215547 FCMPGSZPDJEICP-LJQANCHMSA-N 480.594 2.348 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1CCc1ccc(Br)cc1)[C@H]1CCS(=O)(=O)C1 1539220269 HUUAFVHFPCOKNQ-HKUYNNGSSA-N 493.427 2.414 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCSC1 1539392322 OSGHBZDZUZCWRS-ICSRJNTNSA-N 493.630 2.143 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[C@H]2CCOC2)CC1 1539469756 GHLJYYDLEUFJHU-KRWDZBQOSA-N 452.515 2.246 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCc2nn(C)c(=O)cc2C1 1539491281 OCNVCLBNVOOOLK-UHFFFAOYSA-N 477.594 2.170 30 10 JEEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](n2cncn2)C1 1539499107 DOYHIMDDBJCNQZ-SFHVURJKSA-N 471.612 2.148 30 10 JEEE C#CCSCCn1c(N2CCC[C@H](NC(=O)OCC)C2)nnc1[C@]1(OC(C)C)CCOC1 1539531757 ZIMDSGFJGOMMJT-AVRDEDQJSA-N 465.620 2.400 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1ccc(C)c(F)c1 1539670082 WWRIGDRXVYPMPI-SFHVURJKSA-N 463.579 2.460 30 10 JEEE C=C(Cl)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1539813171 VZHITNYQBSPIED-MAUKXSAKSA-N 492.049 2.011 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(O)CC(OCC)C1 1540146348 DOBHZUWLUFQPAS-BQJIDLTASA-N 466.629 2.364 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@H](Oc2ccccn2)C1 1540861880 JXOYCVORQBGZAR-IBGZPJMESA-N 495.971 2.216 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)C[C@H]1CCCO[C@@H]1c1ccccc1 1540862090 QUHHBVSOIHUEMT-IFMALSPDSA-N 466.586 2.420 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCN(Cc2cscn2)CC1 1540898365 IKPIWKLKFBUIGY-UHFFFAOYSA-N 488.639 2.333 30 10 JEEE CC(C)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1541378686 GGJKHQBJELSQAT-AUSIDOKSSA-N 473.599 2.151 30 10 JEEE C#CCN(CC(=O)N(CC)CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)OC(C)(C)C 1544389336 UZYXQUXICNEMHP-UHFFFAOYSA-N 458.559 2.181 30 10 JEEE CCS(=O)(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(C)(C)O)CC1 1548295892 BBBWRDLWUJVXMT-UHFFFAOYSA-N 461.588 2.293 30 10 JEEE COCC1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](CNS(C)(=O)=O)C2)CCC1 1555297094 GWEVCPXCBQIEIW-IBGZPJMESA-N 472.615 2.399 30 10 JEEE C=C[C@@H]1OCC[C@H]1CNC(=O)N(CC)[C@@H](C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1564958065 FFXUGGPTZZWTOB-FHWLQOOXSA-N 452.596 2.467 30 10 JEEE C#CCN(C(=O)NCC1C[C@@H]2CC[C@H](C1)S2(=O)=O)C1CCN(C(=O)OC(C)(C)C)CC1 1565302659 YBIWPJCNZHZRQM-JLYLLQBASA-N 453.605 2.387 30 10 JEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@@H](c1ccc(Cl)cc1)n1cccn1 1587527534 GSAUBKUSWBDEGN-QRWLVFNGSA-N 457.943 2.481 30 10 JEEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 1587879465 VKVMDKALVNFXEC-OAQYLSRUSA-N 473.647 2.384 30 10 JEEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)c1ccccc1 1593747510 XUWXRIMSZISQCY-ICSRJNTNSA-N 463.604 2.401 30 10 JEEE C=C(C)COCCn1c(CC2CC2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1593757428 DLVJAMHDZZDIGM-OYRHEFFESA-N 458.651 2.450 30 10 JEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C(F)(F)F)cc1 1594962343 KHXIYTXYQAJYSV-MRXNPFEDSA-N 459.494 2.300 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(Cc2ccsc2)CC1 1595784063 BDFBNEKSHDODPJ-UHFFFAOYSA-N 458.613 2.325 30 10 JEEE CC(=O)N(C)C1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(C#N)o2)CC1 1595957362 WETJGTZSSGSJBS-UHFFFAOYSA-N 467.555 2.230 30 10 JEEE CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1617317789 HZTAWZQTLQRZPN-UHFFFAOYSA-N 471.562 2.056 30 10 JEEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(c3ccc(C(=O)OCC)cn3)CC2)c1 1624267221 QLDYZJGZYCVARY-UHFFFAOYSA-N 455.536 2.018 30 10 JEEE C#CCn1cc(CNC(=O)c2cc(S(=O)(=O)NC(C)(C)C)ccc2Br)cn1 1635749156 FRQSQCPUAVWVJO-UHFFFAOYSA-N 453.362 2.286 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1(COC)CCOCC1 1689831288 IOIQVSFNVUXPGI-KRWDZBQOSA-N 474.631 2.448 30 10 JEEE C#CCCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)C[C@H](C)C(=O)NC 1689876849 JZDIWLITXXVUJS-INIZCTEOSA-N 459.620 2.168 30 10 JEEE C#CCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1689879823 INFBWEMFEBNEMB-UHFFFAOYSA-N 454.538 2.441 30 10 JEEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1689901918 RZRLFQIKWNMGNZ-HXUWFJFHSA-N 458.574 2.320 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ccc(OC(F)(F)F)cc1)[C@H]1CCS(=O)(=O)C1 1689988105 JEKROFDUKAZSHN-INIZCTEOSA-N 492.483 2.309 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCCN(C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1689996671 LQPUTHVGPQONRX-HSZRJFAPSA-N 495.653 2.293 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1nccc(C(F)F)n1 1690100987 KGLDVXOBCUMIER-UHFFFAOYSA-N 466.452 2.456 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2CCc2nccnc2C)CC1 1690113820 VVGCIVZYVAVTOC-UHFFFAOYSA-N 469.391 2.142 30 10 JEEE C=C(C)COCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@H](C(=O)OC)C1 1690299485 SYIBDXRSEDUVBJ-QGZVFWFLSA-N 461.950 2.454 30 10 JEEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](c2ccccc2)C1 1690508291 FPYIWCMDUTVYJK-RTWAWAEBSA-N 475.615 2.198 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1690723221 LIIIUOUQZOGYJL-OKILXGFUSA-N 471.530 2.334 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)Cc1ccco1 1690724187 JSRYDNHDDVFPHZ-UHFFFAOYSA-N 471.587 2.282 30 10 JEEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@H](C(F)F)N2CCOCC2)[C@@H](C)C1 1690838168 CGWJBGNGAHVBCK-LAUBAEHRSA-N 487.555 2.230 30 10 JEEE CC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1)N1CCCC1 1694373268 FWGYFRQBKBUVCS-OAQYLSRUSA-N 471.631 2.163 30 10 JEEE C#CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccccc1S(=O)(=O)N(C)C 1705544572 VTSQXJDRMXJIHE-UHFFFAOYSA-N 477.388 2.404 30 10 JEEE C#CCN(c1nnc(-c2ccc3ccccc3n2)n1CCC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1705562441 CFUJPXQXORQWAD-GOSISDBHSA-N 453.568 2.281 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1CCCN1CCCO[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1705563962 ILHSZVVLQMCXJN-FGZHOGPDSA-N 485.654 2.381 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1OCCC1(C)C 1705576342 KFVQXYAUKJWKJU-HXUWFJFHSA-N 455.584 2.083 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1(N2CCOCC2)CC1 1705631099 RTOMQKPZMHMPDA-FQEVSTJZSA-N 488.633 2.301 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccccc3Br)n2CCS(=O)(=O)CC=C)CC1 1705636885 BCAHEEXCOSMDEP-UHFFFAOYSA-N 478.416 2.064 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1CCC(OC)CC1 1705717841 SQVYIQYSOCJFNV-GOSISDBHSA-N 453.653 2.472 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1705722516 QKECFIBPBCAUEE-UHFFFAOYSA-N 495.609 2.129 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CN2CCCC2=O)n1C[C@]1(O)CCO[C@H]1C 1705861113 UKGFXRBOIYMGGL-MHECFPHRSA-N 450.543 2.005 30 10 JEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(N(CC)C(=O)OC(C)(C)C)CC1 1705890839 LKRWBWODKHOSAG-SFHVURJKSA-N 498.650 2.023 30 10 JEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](c2nc(CC)cs2)C1 1705890889 OIGMKZLPXHMNSA-WBVHZDCISA-N 466.633 2.200 30 10 JEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1705946484 JCOLHHFOKQVGCO-GJZGRUSLSA-N 467.583 2.172 30 10 JEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 1705946514 JRBXENDXYOVRAY-ROUUACIJSA-N 483.704 2.478 30 10 JEEE C=CCSCCn1c(Cc2cccnc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1705947767 WSBOHGHXNMGUIE-UHFFFAOYSA-N 450.634 2.043 30 10 JEEE CCc1cnc(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCO[C@@H](CNC(C)=O)C2)s1 1708960483 HLLZIDFQLOLBCW-FQEVSTJZSA-N 495.609 2.332 30 10 JEEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1722324715 WVRVKRLMTTVYRF-GHTZIAJQSA-N 471.005 2.432 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@H]1C[C@H](C)O[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1722359871 WRSPZYXOQKLPTQ-AJYBTWMASA-N 479.647 2.027 30 10 JEEE C#CCN(c1nnc(-c2ccc(OCCC)c(OC)c2)n1Cc1ccn(C)n1)[C@H]1CCS(=O)(=O)C1 1722360785 CBBWMFKUKFDEJO-FQEVSTJZSA-N 498.609 2.151 30 10 JEEE C#CCN(c1nnc([C@@H](C)OCCOC)n1Cc1c(F)cccc1Cl)[C@H]1CCS(=O)(=O)C1 1722363850 HKJQRWUZAGWCJU-CVEARBPZSA-N 484.981 2.470 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCN(C)C1CCCC1)[C@H]1CCS(=O)(=O)C1 1722363921 CUFCPAMQZYUKOV-FQEVSTJZSA-N 476.672 2.135 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1cccnc1OCCC)[C@H]1CCS(=O)(=O)C1 1722364173 DXIAPQUJXZZKHR-NRFANRHFSA-N 480.594 2.123 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC1(CCOC)CCC1)[C@@H]1CCS(=O)(=O)C1 1722366981 JYUULUHVBKSKFW-RTBURBONSA-N 450.605 2.006 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCCN1CCCCC1=O 1722370169 IETNPBYDGTYROR-UHFFFAOYSA-N 466.973 2.337 30 10 JEEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1C[C@@H]1CCC[C@@H]1OC)[C@@H]1CCS(=O)(=O)C1 1722370796 QPAVOQVOGHRUPB-JQVVWYNYSA-N 488.610 2.308 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1Cc1cccnc1OCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1722371939 NJTLZIITROWFIV-KRWDZBQOSA-N 483.516 2.242 30 10 JEEE C#CCN(c1nnc(CCOc2ccccc2)n1CCN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1722372380 VJUKVVQRMYTODL-NRFANRHFSA-N 471.627 2.012 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2CCN2CCOC[C@H]2C)CC1 1722432188 WFPKSCAYOXJAGM-YADHBBJMSA-N 482.629 2.293 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCn2cc(Cl)cn2)CC1 1722442998 LQFKOLLSBUXRGZ-UHFFFAOYSA-N 462.945 2.333 30 10 JEEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1722481243 WZHOWHRNHOCQCS-BZSNNMDCSA-N 472.428 2.458 30 10 JEEE C=C(Br)Cn1c(Cn2nc(C)cc2C)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1722486829 FMBHRHOCJGJXIK-QGZVFWFLSA-N 450.385 2.353 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCC(NC(=O)COC)CC2)nnc1[C@]1(OC(C)C)CCOC1 1722499246 IDLPEDOFZLVRAF-JTJYXVOQSA-N 491.633 2.031 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 1722691213 PAQBNSQTRZBKIE-BEFAXECRSA-N 472.977 2.167 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCN(c2ccc(F)cn2)CC1 1722700281 DHRWNUJJZZOHRF-UHFFFAOYSA-N 453.497 2.171 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCN(C(=O)c2ccsc2)CC1 1722706429 RMHWXGNWXPCZRM-UHFFFAOYSA-N 496.593 2.192 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@@H](CC)C1 1722724345 UJUWQXAJMZBJAY-AWEZNQCLSA-N 458.382 2.252 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1722731108 DNNYPKJAEQJPFX-UXHICEINSA-N 471.583 2.192 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1722733188 UCTXNJJUHPWOKW-FHWLQOOXSA-N 476.647 2.420 30 10 JEEE C#CCN(c1nnc(-c2cc(C)nc3ccccc23)n1C[C@](C)(O)CCOC)[C@@H]1CCS(=O)(=O)C1 1740621013 ZIBDLFUDTUZOGU-KBMIEXCESA-N 497.621 2.216 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCSC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1740626144 JTYULLGTYUNCIB-KBPBESRZSA-N 452.524 2.399 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2Cc2cccnc2OC)CC1 1740690507 WECHOBPNGNISGY-UHFFFAOYSA-N 479.972 2.069 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2CC2(C(=O)N(C)C)CCCC2)CC1 1740692729 LSUMTPVCBITPAZ-UHFFFAOYSA-N 450.587 2.358 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(=O)COC)CC1 1740756176 ODGVUWPZRRGBRR-MBSDFSHPSA-N 485.585 2.239 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](c2ccccc2)N(C)C)CC1 1740825939 VJDGBWUGHFMXIB-SFTDATJTSA-N 474.631 2.070 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC(C(=O)NCc2ccc(C)c(F)c2)CC1 1740959772 DUTAQKXECCFQSZ-FQEVSTJZSA-N 484.576 2.065 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCCN(CC(F)(F)F)CC1 1740962071 RPAHSEQWIRIQEG-UHFFFAOYSA-N 454.472 2.385 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2(CS(C)(=O)=O)CC2)C1 1740974342 LIMYLJOAYJKVQU-GOSISDBHSA-N 461.544 2.459 30 10 JEEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 1740995794 XRMRSSYTOAFHKT-MRXNPFEDSA-N 461.588 2.406 30 10 JEEE CC(C)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1741624836 HOZANHRXTNTGDK-FQEVSTJZSA-N 471.631 2.019 30 10 JEEE CC(C)OCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1741762401 ASHNPLWHTALOOB-NRFANRHFSA-N 454.575 2.312 30 10 JEEE CCCNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1745781005 HABXOUZALNFESO-UHFFFAOYSA-N 489.628 2.406 30 10 JEEE C#CCN(c1nnc([C@@H](C)OCCOC)n1CC(C)(C)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1748803966 BMTLUTLWBOGQDD-HUUCEWRRSA-N 466.526 2.217 30 10 JEEE C#CCN(c1nnc(C2(c3ccccc3)CCC2)n1C[C@@](C)(O)CCOC)[C@H]1CCS(=O)(=O)C1 1748804161 DXQQISFABSOIKU-URXFXBBRSA-N 486.638 2.162 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@](C)(O)c2ccccc2)CC1 1749009253 HBXJUMJAOXSIPN-NBGIEHNGSA-N 451.571 2.046 30 10 JEEE C=C(Cl)Cn1c(N2CCN(CC(=O)NC(C)C)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1749284818 OTOKHKFUWROKGP-HDICACEKSA-N 496.056 2.448 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccccc2OCCN(C)C)CC1 1749303077 DWKCYWOFBGPBJK-HXUWFJFHSA-N 459.616 2.325 30 10 JEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1nc(O)c2sccc2n1 1749413857 ZSPKBYNUBNZKEN-LBPRGKRZSA-N 451.578 2.201 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)c(F)c1 1749575682 WDBUGMOQALIILT-SFHVURJKSA-N 453.515 2.116 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CC2(NC(=O)OC(C)(C)C)COC2)C1 1749710334 WERHJSLUZZZRTF-QZTJIDSGSA-N 463.579 2.247 30 10 JEEE C=CCSCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1749746725 MORAFNWUBSZPRT-AWEZNQCLSA-N 481.409 2.318 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccc(C)cc1SC)[C@@H]1CCS(=O)(=O)C1 1760183284 PYIMOSJRHOHKHS-GOSISDBHSA-N 475.640 2.122 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCCOCC(F)F)[C@H]1CCS(=O)(=O)C1 1760184286 VERLCEFLTMDAGB-SFHVURJKSA-N 463.510 2.115 30 10 JEEE C#CCN(c1nnc(-c2cn(C)c3ccccc23)n1C[C@@H](CC)OC)[C@@H]1CCS(=O)(=O)C1 1760186789 AROABUZFJXKSIE-QZTJIDSGSA-N 455.584 2.489 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C(=O)N(CC)CC)cc1 1760234594 YVSXFRFRGAJLBA-FQEVSTJZSA-N 457.600 2.170 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2C/C=C/CC)CC1 1760268609 MMJWKTGNZKOWFL-RMKNXTFCSA-N 459.554 2.124 30 10 JEEE C#CCSCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1760275415 WZQKJRXWUFKKJT-SJORKVTESA-N 498.588 2.456 30 10 JEEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1760287424 RPVDLRAXTQUUDR-ULQDDVLXSA-N 461.554 2.441 30 10 JEEE C=C(Br)Cn1c(CCOc2ccccc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1760310914 OOXZZDRKUONFDZ-UHFFFAOYSA-N 489.374 2.329 30 10 JEEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCCC1(F)F 1761362688 GQCXBQHLNKVMJU-PMPSAXMXSA-N 460.551 2.175 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCNC(C)=O)[C@@H]2c2ccc3c(c2)OCCO3)cc1C 1862404568 FCLKIKCEAVRTEE-JOCHJYFZSA-N 466.490 2.489 30 10 JEEE COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCO)cc(OC)c1O 1862612176 COLIJJRBYZIMSR-FQEVSTJZSA-N 471.462 2.141 30 10 JEEE COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2C[C@@H](C)O)cc(OC)c1OC 1862635756 RLAUXAHGIWMKTL-ODXCJYRJSA-N 471.462 2.400 30 10 JEEE C=CCOc1ccccc1[C@H]1C(C(=O)N(C)C2CCCCC2)=C(N)Oc2c1c(=O)n(C)c(=O)n2C 1865736821 PSGMGCZUSSIKQA-IBGZPJMESA-N 480.565 2.135 30 10 JEEE CC(C)(NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(=O)N1CCC2(CC1)OCCO2 1868774802 RDZPLNJQUNNOJZ-GOSISDBHSA-N 460.600 2.285 30 10 JEEE CCCC[C@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H](c1ccc(O)cc1)N(C)C 1869933584 JMOYOKYYELGBGL-PMACEKPBSA-N 458.584 2.409 30 10 JEEE Cn1ncc(C(=O)NCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)c1I 2185162625 YCGOWHJIRJCCSW-UHFFFAOYSA-N 467.116 2.254 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1CNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2247881332 WEDASDXXQRCJPT-TZMCWYRMSA-N 458.411 2.239 30 10 JEEE CC1(C)OB(c2ccc(S(=O)(=O)N3CC(NC(=O)OCc4ccccc4)C3)cc2)OC1(C)C 2247951986 LBWICYDRGIDXGC-UHFFFAOYSA-N 472.372 2.285 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]1NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2247962242 MAYVZMIOWVXJDY-JSGCOSHPSA-N 458.411 2.239 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CC[C@@H]1NC(=O)OCc1ccccc1 2255625084 MMBNUFKKBPZZPO-MOPGFXCFSA-N 468.363 2.389 30 10 JEEE Cc1sc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2O)cc1B1OC(C)(C)C(C)(C)O1 2267113150 PTOAVHYOLGJOLL-JKSUJKDBSA-N 466.409 2.456 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@](C)(CNC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2267175161 YWZBUYCIYFMDPW-NRFANRHFSA-N 467.397 2.198 30 10 JEEE COC[C@@]1(NC(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)CCN(C(=O)OC(C)(C)C)C1 2267195081 ILSZICHQDAZROO-JOCHJYFZSA-N 450.341 2.335 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H]1NS(=O)(=O)Cc1ccccc1B1OC(C)(C)C(C)(C)O1 2267473202 BGFUBQQUCKXGCL-AEFFLSMTSA-N 466.409 2.318 30 10 JEEE CO[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)N(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)C1 2267531541 RMKMZJNKZSNFIC-ZIAGYGMSSA-N 467.397 2.197 30 10 JEEE Cn1nc(C(=O)Nc2nc(CNC(=O)OC(C)(C)C)cs2)cc1B1OC(C)(C)C(C)(C)O1 2267538638 VMEMFQFYVJUNBW-UHFFFAOYSA-N 463.369 2.453 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](S(C)(=O)=O)[C@H](NC(=O)C2CC(B3OC(C)(C)C(C)(C)O3)C2)C1 2267579143 OGFAEHUSWGDGJH-FJBKBRRZSA-N 472.413 2.008 30 10 JEEE CC(C)(C)OC(=O)NC1CC(NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)c(F)c2)C1 2267703577 YCEVBWRZLMCIJH-UHFFFAOYSA-N 470.372 2.459 30 10 JEEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CC1 2267706057 QKQIJQSZHIRZDH-UHFFFAOYSA-N 466.409 2.368 30 10 JEEE CC[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2281973880 VGCOHRMNTQOYAM-DOTOQJQBSA-N 462.400 2.485 30 10 JEEE Cn1cc(C(=O)N2CC[C@@H]3[C@@H](CCN3C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2281975959 UZXVAMFTXLUGIY-DOTOQJQBSA-N 460.384 2.191 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2OCCN(Cc3ccccc3)[C@@H]2C1 2281980275 JCEUMHBKWRPRNT-MOPGFXCFSA-N 469.416 2.476 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@]12CCN(C(=O)OC(C)(C)C)C[C@@H]1C2 2282011749 MHYIPVDHEVYDFB-NPMXOYFQSA-N 460.384 2.157 30 10 JEEE CC(C)(C)OC(=O)NCC12CC(CNC(=O)c3csnc3B3OC(C)(C)C(C)(C)O3)(CO1)C2 2282015959 QWDIAVRNEWWFSY-UHFFFAOYSA-N 479.408 2.246 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)CC23CC3)n1 2282049822 FPZHKYVBFPMERI-MRXNPFEDSA-N 460.384 2.239 30 10 JEEE Cn1cc(C(=O)N2CC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)nc1B1OC(C)(C)C(C)(C)O1 2282052694 PPJIGDCOJCYWON-HSZRJFAPSA-N 460.384 2.192 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CC[C@@H](NC(=O)C(F)(F)F)[C@@H](C)C1 2282126277 IGQZSWFHYXDPIN-DZGCQCFKSA-N 457.302 2.336 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)N1C[C@H](O)C[C@H]1CNC(=O)OC(C)(C)C 2282150470 UAJYNYLSINFASV-ZWKOTPCHSA-N 460.380 2.394 30 10 JEEE 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)cnn1C 2282534828 XMHCBQHYPFUTLJ-RDJZCZTQSA-N 462.400 2.437 30 10 JEEE Cn1cc(C(=O)N2[C@H]3CCC[C@@H]2CN(C(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)n1 2282579856 KTQRGOOXHCEQPT-IYBDPMFKSA-N 460.384 2.333 30 10 JEEE Cn1cc(C(=O)NC[C@@H]2C[C@@H]3[C@@H]2CCN3C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2282580913 ZYGGRGMREUZOBE-ZMSDIMECSA-N 460.384 2.095 30 10 JEEE CC(C)(C)OC(=O)N1CCCC2(C1)CN(C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)C2 2282704786 OZCQLQWHTZLKFE-UHFFFAOYSA-N 458.368 2.249 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)NCCc1ccccc1B1OC(C)(C)C(C)(C)O1 2283942209 GGGVVWPWIIGLMR-IBGZPJMESA-N 460.380 2.280 30 10 JEEE CC(C)(C)OC(=O)N1CC(=O)NC[C@H]1C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccc1Cl 2283955664 GIMHFMXTBKMTHW-INIZCTEOSA-N 479.770 2.313 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H](C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1)[C@H]1CCOC1 2284044035 ZRMQQTDQWPNUBV-DOTOQJQBSA-N 461.368 2.497 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@H]1C(=O)N1CCc2c(B3OC(C)(C)C(C)(C)O3)cccc21 2284044448 ZXHOMLNLAFITOV-SJLPKXTDSA-N 458.364 2.415 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N1CCC[C@H](NC(=O)C(F)(F)F)CC1 2286113799 JYKJOWWRYGSJJF-HNNXBMFYSA-N 455.286 2.362 30 10 JEEE CN(C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CN(C(=O)OC(C)(C)C)CC12CC2 2287015048 CNUWLKLJGAXQMO-MRXNPFEDSA-N 460.384 2.191 30 10 JEEE COc1ccc(OCc2nnc(SCC(N)=O)n2N=Cc2cc(OC)c(OC)c(OC)c2)cc1 2328371752 KXDBNNLZCIZGDW-UHFFFAOYSA-N 487.538 2.351 30 10 JEEE Cn1nc(C(=O)N2CC(F)(F)[C@@](C)(NC(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2361915799 JYUZKKKWBGPUSX-FQEVSTJZSA-N 470.326 2.094 30 10 JEEE CC(C)(C)OC(=O)N1CC2(CC[C@@H](CNC(=O)c3cnsc3B3OC(C)(C)C(C)(C)O3)O2)C1 2362577153 SGZTYKKAMAPOGS-AWEZNQCLSA-N 479.408 2.341 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@H](CNC(=O)OC(C)(C)C)OC 2365425565 ZNTACXGKEJAJQA-MRXNPFEDSA-N 464.368 2.264 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(CC(=O)Nc4ccccc4CC)CC3)cc2C1=O 18128403 RZKNRLMNTRNIAV-UHFFFAOYSA-N 460.534 2.428 30 10 JEEE COc1cc(/C=N/Nc2nnc(SCC(=O)Nc3cc(C)ccc3C)n2N)cc([N+](=O)[O-])c1O 21327010 VDJGJMVSLYJYAC-LSFURLLWSA-N 486.514 2.408 30 10 JEEE CC[C@H](C)c1ccc(NC(=O)CSc2nnc(N/N=C/c3c(C)nn(CCO)c3C)n2N)cc1 59914528 RDWKAZCATCUAGB-HZZGJGATSA-N 485.618 2.488 30 10 JEEE O=C(O)CCC(=O)N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(OC(F)(F)F)cc1 254312862 XYHORIRXSYNFIY-NEPJUHHUSA-N 452.432 2.051 30 10 JEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cc3c(cc2OC)C[C@@H](C)O3)c(=O)n1-c1ccccc1C 514328432 ZODZVGNWEVIYIC-QGZVFWFLSA-N 487.581 2.345 30 10 JEEE O=C1ONN(c2ccccc2)/C1=C/C(=NC(=O)c1ccccc1)C(=O)N1CCN(c2ccccn2)CC1 585673332 AVNYNNBRMMYESM-YWYPXTSLSA-N 496.527 2.379 30 10 JEEE CC(=NNc1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)cn1)c1ccc(S(N)(=O)=O)cc1 916335744 VFTZWYIRFKZHBN-HUUCEWRRSA-N 465.601 2.232 30 10 JEEE CN(C)c1ccc(C=NNc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] 1083955243 WJNHVYDIUSEYNV-UHFFFAOYSA-N 478.487 2.036 30 10 JEEE CC(C)CSc1nnc(NC(=O)CSc2nnc(NN=Cc3cccc(O)c3)n2N)s1 1084408972 KORMCWVZIWQBHN-UHFFFAOYSA-N 479.617 2.474 30 10 JEEE CC(C)(C)OC(=O)N1CC(NC(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)C1 1229629617 AXCMLGQOFNRFGE-UHFFFAOYSA-N 451.531 2.399 30 10 JEEE C#CCN(CC)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1286440093 MYZRKUCVCMAVAH-KRWDZBQOSA-N 461.588 2.093 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@](C)(O)CCOC)CC1 1286473074 HMGMTUBQQYRALF-OAQYLSRUSA-N 462.392 2.250 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCSCc2ccc(C)cc2)CC1 1286481185 SMSOREBOMGKATG-NRFANRHFSA-N 473.668 2.177 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H](C2CC2)N(C)C)CC1 1286485678 UODLSXIOZGBOQF-HBMCJLEFSA-N 471.650 2.144 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H]1CN(CC)c2ccccc2O1 1286608898 VGHMQUAJCRBRAK-UXHICEINSA-N 489.642 2.497 30 10 JEEE C=C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@]2(O)CCSC2)CC1 1286640639 LYURQXHVRSZVDJ-NRFANRHFSA-N 463.629 2.220 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(OCC)c1)C1CC1 1286737534 NDKOHEPTXFDLRR-FQEVSTJZSA-N 461.588 2.213 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 1286818825 PPOOGNLBZNAGGO-GOSISDBHSA-N 476.603 2.434 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1286821239 FFYZYONQMQXWCH-IBGZPJMESA-N 472.571 2.047 30 10 JEEE C=C[C@H](COC)NC(=O)c1cc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2OC)ccc1F 1296765763 RZEAKVHWYKUWBM-GFCCVEGCSA-N 453.448 2.474 30 10 JEEE C#CCN(c1nnc(-c2cn(C)c3ccccc23)n1CCN(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1300488623 TWXKYAIRDNYCRH-IBGZPJMESA-N 468.627 2.404 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCCCCN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1300496117 OEUREMZRMPADPT-FCHUYYIVSA-N 477.675 2.455 30 10 JEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1C[C@]1(O)CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1300502390 SMIDWXDNYCWUNJ-PIBDYAPNSA-N 486.638 2.250 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)CC(=O)NC(C)C 1300885354 PBDSJYASPRMJFN-IFMALSPDSA-N 482.633 2.394 30 10 JEEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCCS(C)(=O)=O 1301043840 DYNZUKUSJKGGQO-HNNXBMFYSA-N 478.015 2.210 30 10 JEEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1301196637 GNULAQSAQGREHO-HZPDHXFCSA-N 456.613 2.300 30 10 JEEE C=CCN(c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)N1CCSCC1)C1CC1 1301317110 ORCUKFQYJUZPES-UHFFFAOYSA-N 458.613 2.350 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1301493098 UBACNCMBOWCLDZ-KDURUIRLSA-N 463.586 2.341 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@@H](C(F)F)C1 1301585226 ISRXWDZYVYADTD-OAHLLOKOSA-N 492.552 2.274 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N(C)[C@H]1CCN(Cc2ccccc2)C1 1301589638 VCDGSNWVUYRNMD-VXKWHMMOSA-N 473.643 2.484 30 10 JEEE C[C@@H]1N(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CCOC1(C)C 1305240130 FOWXHQVJIGHOCB-FUHWJXTLSA-N 458.588 2.102 30 10 JEEE CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1)Oc1ccccc1F 1305804551 HWWXWIABLLUEAU-STXHMFSFSA-N 468.530 2.327 30 10 JEEE C#Cc1cccc(NC(=O)CNC(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)OC)c2)c1 1310343583 PAQRMSJXXPMAKE-UHFFFAOYSA-N 450.904 2.263 30 10 JEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(Cc2cscn2)CC1 1358922641 LSFGPMMBBDBGHX-UHFFFAOYSA-N 499.666 2.388 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1CCCOC(C)C)[C@@H]1CCS(=O)(=O)C1 1358959490 JVQPQMCSHYFZGU-GOSISDBHSA-N 460.556 2.116 30 10 JEEE C#CCN(c1nnc(-c2csc(N3CCOCC3)n2)n1CC(C)(C)CC)[C@H]1CCS(=O)(=O)C1 1358961452 ZJWMQYWWFDMVJK-KRWDZBQOSA-N 492.671 2.301 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccc(Br)cc2)n1Cc1nnc2n1CCC2 1358982155 MIIDVOQHAIWHLL-UHFFFAOYSA-N 466.343 2.278 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC1 1359037081 UVEJTLSACCKENQ-HXUWFJFHSA-N 480.510 2.026 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCN(C)Cc2ccccc2)CC1 1359038000 HBJZVSSAIPDULL-UHFFFAOYSA-N 477.638 2.157 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCCSC2)CC1 1359040428 USYRRKYSJYNNQH-KRWDZBQOSA-N 467.599 2.034 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@H](CC(C)C)N(C)C)CC1 1359046241 JWWPDAGQQVELTH-QFIPXVFZSA-N 451.619 2.206 30 10 JEEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1359054145 LACJLTRNTWTUGH-UHFFFAOYSA-N 451.556 2.402 30 10 JEEE C#CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC[C@@H](CNC(C)=O)C1 1359055028 QFMGYLPYBIZFSB-IBGZPJMESA-N 493.637 2.394 30 10 JEEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1359059815 AWYFCBQOASDVNQ-QGZVFWFLSA-N 475.640 2.410 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1cccnc1)C(C)C 1359069882 AOILGWCSDFJHGH-PQNGQFLHSA-N 486.642 2.438 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)NCCCC)CC1 1359097453 PGANNSFSTMTBGE-ZJOUEHCJSA-N 458.607 2.343 30 10 JEEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCS[C@H](C(C)C)C1 1359298480 BBSDGMIIZJCUSH-KRWDZBQOSA-N 453.572 2.474 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1359302041 VNXMUOUXXVKNEO-NRFANRHFSA-N 460.586 2.375 30 10 JEEE C[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(O)(C(F)(F)F)CC1)N1CCOCC1 1360583542 GCFJJUZAAGUNOZ-QGZVFWFLSA-N 494.518 2.343 30 10 JEEE Cc1ccc(C(=O)NCCn2c([C@@H]3CCC(=O)N3)nnc2N(CCC#N)CC2CC2)cc1F 1361119722 AEPIGQOIHZILPR-IBGZPJMESA-N 453.522 2.237 30 10 JEEE CCOc1cc(C#N)cc(Br)c1OCC(=O)NC[C@H](C)CN1CCN(C)CC1 1443424371 CXGMHFFQTKCBRX-HNNXBMFYSA-N 453.381 2.098 30 10 JEEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-n3nnnc3C3CC3)c2)cc1 1465442084 ULWQLMIXESYGNY-UHFFFAOYSA-N 456.915 2.357 30 10 JEEE COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CN(CC(C)C)CCO2)cc1OC 1504202189 DUFVEHWGFDQPFH-WOJBJXKFSA-N 470.574 2.048 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCc2cc(OC)ccc21 1507538090 KJBJLWSSPONTEL-LQBOVUBWSA-N 487.626 2.198 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1507624792 DJVIMGKVVYVIJE-DOTOQJQBSA-N 466.991 2.469 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1CCCOC[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1507630142 UIGFIAXSKGSECU-RTWAWAEBSA-N 472.611 2.466 30 10 JEEE C#CCN(c1nnc(C2CCC2)n1CCCS(=O)(=O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1507634447 YSGDDIJZTQBPOB-LJQANCHMSA-N 476.624 2.036 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@@H]1CCCN1CC)[C@H]1CCS(=O)(=O)C1 1507640584 UCWTWRDDTYFSQU-OALUTQOASA-N 475.590 2.107 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(OC)c(OCC)c(OC)c1 1507688496 BRGKSGUXVPZCGH-QGZVFWFLSA-N 462.572 2.104 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@]2(O)CCSC2)CC1 1507720410 KRNPRSAZDCPGDF-GOSISDBHSA-N 468.446 2.392 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCCNC(=O)C2CCC2)CC1 1507732639 ISZIMZCUSSEONO-NRFANRHFSA-N 499.660 2.412 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(C)cc2OC)CC1 1507734115 RKMASQAPCMXLDI-UHFFFAOYSA-N 487.564 2.257 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2CCCC(=O)N(C)C)CC1 1507742157 BQYPVWZEVAAEMS-UHFFFAOYSA-N 450.587 2.012 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 1507752342 YUHHLRDUJPCWPG-UYAOXDASSA-N 493.699 2.022 30 10 JEEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1507774379 CZKOCVLDAXTSHE-HNNXBMFYSA-N 463.384 2.220 30 10 JEEE C=C(Cl)Cn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2c(CC)nn(C)c2Cl)CC1 1507853305 DUJSJPOUBYHBNX-UHFFFAOYSA-N 469.421 2.440 30 10 JEEE C=CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1507945223 CSWSEOOWSRZXQH-HOTGVXAUSA-N 468.649 2.462 30 10 JEEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1508042576 ROIYEJYAVVGDRH-INIZCTEOSA-N 477.960 2.424 30 10 JEEE C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1508050389 YHOLNSMQKSNCDT-RDTXWAMCSA-N 462.396 2.211 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCS(=O)CC1 1508072812 KQTDDEVBOALYGM-UHFFFAOYSA-N 452.584 2.224 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](C)CN2CCCCC2)C1 1508121851 ARCMIPGSWZVJEK-SLFFLAALSA-N 451.637 2.084 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N(C)C1CCC2(CC1)OCCO2 1508140349 NGJDWAHWJXSGKT-UHFFFAOYSA-N 461.588 2.371 30 10 JEEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCN2CCCCCC2=O)C1 1510290468 HLEYRNWQHMOKLW-PGRDOPGGSA-N 462.620 2.103 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H](C)Oc1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1539212313 UPSAHWULUYWXGC-RTBURBONSA-N 483.594 2.386 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1CCCCS1(=O)=O 1539405676 IAZCWKQDWYTGCK-SFHVURJKSA-N 462.572 2.016 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCC2CCN(CC(F)(F)F)CC2)CC1 1539462383 FFTZFXQPULNQLX-SFTDATJTSA-N 498.594 2.422 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H](c2cccc(OC)c2)N(C)C)CC1 1539462657 KOTYVHKHDYKUAL-XWGVYQGASA-N 482.629 2.069 30 10 JEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@]2(C1)OCc1ccccc12 1539497464 MRXNRUXHIYPNBR-HTAPYJJXSA-N 475.640 2.281 30 10 JEEE C#CCSCCn1c(-c2cccc3cccnc23)nnc1N1CCO[C@H](CNC(C)=O)C1 1539505271 ABQLWEXADGCUAG-LJQANCHMSA-N 450.568 2.201 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(N2CCN(S(=O)(=O)CCOC(C)C)CC2)nnc1C(C)(C)C 1539643202 VBJARYVNXPPUTE-WOJBJXKFSA-N 483.679 2.434 30 10 JEEE C=CCn1c(-c2cccc3cccnc23)nnc1N1CCN([C@@H](C)C(=O)NCCCOC)CC1 1540856269 GOUJEPUGSJLSTD-IBGZPJMESA-N 463.586 2.343 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCCN(C(C)=O)CC1 1540865226 YNYMHUADUIBFNI-MRXNPFEDSA-N 456.616 2.492 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@H](OC(C)(C)C)C1 1540869263 HKWMDMPXVNYOTI-KRWDZBQOSA-N 479.585 2.278 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1540879707 LVLHLQSUQMJWML-UUOWRZLLSA-N 455.559 2.414 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](c2ccc(C)o2)N2CCOCC2)C1 1540881542 LZAMJLHBOANSPT-WOJBJXKFSA-N 472.590 2.173 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@@H](C(C)(C)C)C1 1540900069 KIOPSWNUHBVWTP-GOSISDBHSA-N 470.603 2.394 30 10 JEEE CC(C)NC(=O)c1nnc(N(C)[C@@H](C)CC#N)n1C[C@H]1CN(Cc2ccccc2)CCCO1 1541634246 DCKJRUMMJTUURQ-PZJWPPBQSA-N 453.591 2.446 30 10 JEEE N#Cc1ccc(N2CCC3(CC2)CN(C(=O)CCn2cccn2)C[C@H]3C(N)=O)cc1C(F)(F)F 1548375752 VBNWQZADBOSIPA-IBGZPJMESA-N 474.487 2.394 30 10 JEEE CS(=O)(=O)N1CCC[C@@H](CN2CCN([C@@H](C#N)c3ccc(Br)cc3)CC2)C1 1559721164 FTPSLVRAQPXJJM-LPHOPBHVSA-N 455.422 2.303 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1588029774 LUTNOUQHNWFIAZ-PKOBYXMFSA-N 476.574 2.489 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1cc(F)ccc1OC)[C@@H]1CCS(=O)(=O)C1 1588045872 RXJOCMKGCUVXMZ-GOSISDBHSA-N 455.515 2.163 30 10 JEEE C#CCN(c1nnc(C2CCCC2)n1CC1(SC)CCOCC1)[C@H]1CCS(=O)(=O)C1 1588055281 UVMGVEPRMYEXKF-SFHVURJKSA-N 452.646 2.475 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1Cc1nccs1)[C@H]1CCS(=O)(=O)C1 1588069139 HYCVIVKTIFPIOB-KRWDZBQOSA-N 457.581 2.297 30 10 JEEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCCN1CCOCC1 1588386102 MUSBTDMYMNLNDE-UHFFFAOYSA-N 452.607 2.024 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@H]2CCCO2)CC1 1588907987 JGRAUIGPPCHOHG-HXUWFJFHSA-N 467.570 2.497 30 10 JEEE C#CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1cnccn1 1589070285 RRGBYWJTJKTQIX-SFHVURJKSA-N 473.603 2.379 30 10 JEEE C=CC[C@@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cnccn1)c1ccccc1 1594543719 DPWBWCBFSLWRLU-RBBKRZOGSA-N 497.625 2.397 30 10 JEEE C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(Cc2cc(OC)cc(OC)c2)CC1 1595314334 QTLNVJCYJMVPMJ-UHFFFAOYSA-N 463.542 2.451 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(O)(C(F)(F)F)CC1 1595488845 BDTOHGBASZJKSY-UHFFFAOYSA-N 477.285 2.232 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCCN(c2ccc(OC)cc2)CC1 1595556709 ZPLNGLSAYAHBIK-UHFFFAOYSA-N 461.570 2.291 30 10 JEEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](c2ccc(F)cc2)C1 1595576911 BVOQVIDEXLQNKY-SFHVURJKSA-N 484.557 2.289 30 10 JEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](O)(c2ccc(F)cc2)C1 1595884268 IYZZHSDKNFVCJQ-IERDGZPVSA-N 466.604 2.336 30 10 JEEE CC[C@@H]1Oc2cc([C@@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c3ccc(C#N)cc3)ccc2NC1=O 1620715654 DKZXLNOTUZBDTP-LPMFXHHGSA-N 456.524 2.212 30 10 JEEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC[C@@H]3COC(=O)NC3CCCCC3)CC2)o1 1645529382 HXTIHSRJQRMWKQ-LJQANCHMSA-N 458.563 2.027 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)S(=O)(=O)c2cc(Cl)ccc2CS(C)(=O)=O)c1 1659626922 KAVTZKHZEIMUDA-UHFFFAOYSA-N 454.957 2.125 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1CCS(=O)(=O)N1CCSCC1 1689840046 RKAWAOIMGCHCOR-OAHLLOKOSA-N 484.047 2.444 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@](C)(O)[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1689992427 KSQBMTVDBYRQOW-WXVUKLJWSA-N 474.627 2.301 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CCC[C@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1689993646 IXXGJESZPUBUQN-NHCUHLMSSA-N 457.600 2.240 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(C(C)(C)O)cc2)CC1 1690146349 LTWPCWDUZIDEBG-FQEVSTJZSA-N 451.571 2.024 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2ccc3c(c2)CCCN3C)CC1 1690152705 VGCQJHQUDBOSLE-UHFFFAOYSA-N 450.587 2.211 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccc1 1690245289 GOCDSLLOXPXFTN-NJYVYQBISA-N 475.615 2.229 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C2CCC2)nnc1N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 1690245409 IAFLOFGZIHNVFB-HBMCJLEFSA-N 481.663 2.404 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCN(CC(F)(F)F)CC1 1690250890 MSQZEMMRXCWJEQ-LPHOPBHVSA-N 456.513 2.066 30 10 JEEE C=C(Cl)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(CC(=O)NCCOC)CC1 1690335581 BNLAXYVPKJNFML-UHFFFAOYSA-N 483.400 2.244 30 10 JEEE C=C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCS(=O)(=O)CC2CC2)CC1 1690367440 OVBZOOAFQJKQNG-UHFFFAOYSA-N 493.655 2.177 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2ccccc2OC)CCC1 1690526995 HWOBBFOIGBECFH-FQEVSTJZSA-N 475.615 2.364 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N(CC)Cc1nc(O)c2sccc2n1 1690667751 GHBXRRSFALWIOB-UHFFFAOYSA-N 450.528 2.379 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](CNC(=O)c2ccccc2)C1 1690724274 LIFKEPXOYLFWDJ-PZJWPPBQSA-N 487.626 2.029 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1690725018 BUDLFDMQZTZKQQ-UHFFFAOYSA-N 477.606 2.304 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CC[C@@](O)(c2ccccc2F)C1 1690725105 FUSKSVYIWYBBLO-QHCPKHFHSA-N 471.558 2.102 30 10 JEEE CC(C)C(=O)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2ccn(C)n2)CC1 1691416829 BRXXDRTWOUCXIH-UHFFFAOYSA-N 476.585 2.400 30 10 JEEE CCOC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCOC[C@H]2C)C1 1695976050 CACBYYCMYZKXBZ-WIYYLYMNSA-N 467.574 2.252 30 10 JEEE C#CCCCn1c(CCc2ccc(OC)cc2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1705537222 XRVFPDPRZZDGJY-SQJMNOBHSA-N 478.641 2.474 30 10 JEEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1CCCn1ccnn1)[C@H]1CCS(=O)(=O)C1 1705561915 VVGUNBMPNABPPZ-LEWJYISDSA-N 467.599 2.129 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1Cc1ccnc(OC(F)F)c1)[C@@H]1CCS(=O)(=O)C1 1705570739 QLCJZFWIIXCZHA-MRXNPFEDSA-N 453.515 2.148 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cc2c(cc1OC)C[C@H](C)O2 1705588127 WUSBFIHRAQMPKO-BSRJHKFKSA-N 450.539 2.455 30 10 JEEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CCNC(=O)c2ccc(C)c(F)c2)CC1 1705641956 ZZKVHZGVXQZYDM-UHFFFAOYSA-N 481.601 2.267 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@]2(C)CN(C)C2=O)CC1 1705645182 NDMHJWXWJXHVPW-QHCPKHFHSA-N 454.962 2.043 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@](C)(O)CCC)CC1 1705651171 MNIIDZINMKIBID-VWLOTQADSA-N 464.570 2.246 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCS(=O)(=O)CC 1705674793 RCDBGBLMEMOSHC-VGOFRKELSA-N 481.619 2.013 30 10 JEEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCO[C@H](Cn2cccn2)C1 1705680392 AAGNOIIGJMYQNZ-HOTGVXAUSA-N 455.357 2.013 30 10 JEEE C=C(C)Cn1c(N2CCC(CNS(C)(=O)=O)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705728416 JVONMOGFKDXSQS-HDICACEKSA-N 482.651 2.391 30 10 JEEE C=CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ncccn2)CC1)c1ccccc1 1705795301 GZLFXOHIZQPZGO-TZIWHRDSSA-N 496.641 2.365 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CC[C@]2(CCOC2)O1 1705859817 ZJKHBIZLBKHMFX-GREBRCKQSA-N 475.615 2.419 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1CCC(O)CC1 1705861802 PEHZJZOVBQVXHD-OAQYLSRUSA-N 473.643 2.220 30 10 JEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2ccc(Cl)cc2)C1 1705937668 AQNKILHGJPSDJQ-IBGZPJMESA-N 494.017 2.233 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1Cc1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1722360629 VOJLZRWSEDESNI-LJQANCHMSA-N 450.524 2.097 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC(C)(C)N1CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1722368603 SEDNPVVZCQRHPX-NJYVYQBISA-N 477.675 2.309 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCO[C@@H]1C(C)C 1722374706 CHGBCPLDETVAQU-IFMALSPDSA-N 469.611 2.329 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC(C)(C)N1CCOCC1 1722380366 KPDOTTBQYOZFIV-UHFFFAOYSA-N 487.608 2.420 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H](C)CN1CCN(CC)CC1 1722392031 DFOFGBPDXJDEIK-JOCHJYFZSA-N 476.625 2.453 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(C(=O)N3CCCC3)n2Cc2ccccc2C)n1 1722427753 NFYBIMGREWEVAO-UHFFFAOYSA-N 461.570 2.354 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CCCNC(=O)C(C)C)CC1 1722433463 VZJKESBCTACTEO-UHFFFAOYSA-N 460.586 2.253 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2CCN2CCCCC2)CC1 1722443925 QFIVGYJMYXSVFY-UHFFFAOYSA-N 450.587 2.405 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccc(OC)cc3)n2Cc2ccc(OC)nc2)CC1 1722449596 MPTAIACMRVMGBR-UHFFFAOYSA-N 488.592 2.490 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2ccc(F)c(F)c2)C1 1722459809 RTVYFCXQEQDNMM-APWZRJJASA-N 482.578 2.403 30 10 JEEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2ncccc2F)CC1 1722463147 XPONSLDBGLOACS-UHFFFAOYSA-N 454.579 2.367 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(NC(C)=O)CC1 1722491316 JWPOMACIUODJTE-YLJYHZDGSA-N 453.547 2.012 30 10 JEEE C=C(C)COCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@H](NC(C)=O)C1 1722529295 QSUXLCJNEQQZQA-IBGZPJMESA-N 489.646 2.244 30 10 JEEE C=C(Cl)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CCOCC)CC1 1722551997 KWTQHRHSVSXTSF-GOSISDBHSA-N 485.029 2.498 30 10 JEEE C=C(Cl)Cn1c([C@H]2COc3ccccc3O2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1722554336 DICQIGIMYQLWNQ-GOSISDBHSA-N 467.979 2.403 30 10 JEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2ccc(F)c(F)c2)C1 1722618950 XNUPWNABEAHRBQ-UXHICEINSA-N 497.568 2.433 30 10 JEEE C=CCCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1722619161 UBTKRUGZOBIGBA-IBGZPJMESA-N 480.660 2.231 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC(C(N)=O)CC1 1722693848 BSZONDQQHINJET-UHFFFAOYSA-N 461.364 2.020 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1722700343 FVEOUJQUXGVDAM-GOSISDBHSA-N 456.566 2.441 30 10 JEEE C=CCOc1ccccc1Cn1c(N2CCNC(=O)[C@H]2CC)nnc1[C@]1(OCC)CCOC1 1722708341 QLDMJJKHSABCDK-DVECYGJZSA-N 455.559 2.258 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1722729616 QWKHCPJRQSAREB-UHFFFAOYSA-N 491.621 2.059 30 10 JEEE C=CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)NC[C@H]2C1 1722739096 FVDCRZZKKNIFGM-IRXDYDNUSA-N 477.635 2.483 30 10 JEEE COc1cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)[C@H](C)CC#N)c2ccccc2n1 1729983155 CBUFXRGUDIYCRI-CABCVRRESA-N 457.560 2.232 30 10 JEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C2CC2)C1 1740581048 OCHBVGGDAMIUPH-RYQLBKOJSA-N 480.635 2.041 30 10 JEEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCN(CC(F)(F)F)C1 1740609315 NSHHUCZQPPUWBA-OAHLLOKOSA-N 459.476 2.146 30 10 JEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1CCN(C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1740627325 ZUEMNMSXZLYNFQ-HXUWFJFHSA-N 464.035 2.489 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2Cc2cccnc2OC)CC1 1740707436 BVHVLRSHKKZHHB-UHFFFAOYSA-N 478.528 2.414 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@](C)(O)[C@@H](C)CC)CC1 1740708070 AQLRPKGIRWFWCH-XDHUDOTRSA-N 486.642 2.033 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CC(C)(C)CN1CCOCC1 1740756999 MKPWDRYCEFKOMD-ZVDOUQERSA-N 460.623 2.005 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC(O)(C(F)(F)F)CC1 1740762758 GFACEQMGJBIQIU-CRAIPNDOSA-N 457.497 2.275 30 10 JEEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1740777688 YNBLOAHPYXDVDQ-HOTGVXAUSA-N 456.613 2.158 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@H]2CCC[C@H]21 1740953798 RGLPLFYTVTZWLX-FXAWDEMLSA-N 472.615 2.267 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 1740961423 BJZSUBJEYKBGOG-KRWDZBQOSA-N 468.583 2.167 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1740990337 REKLVEPYIJTUCE-ZBFHGGJFSA-N 459.494 2.405 30 10 JEEE C=CCSCCn1c(Cc2ccccn2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1741004148 QJMXFSTYXJTZAR-UHFFFAOYSA-N 464.599 2.004 30 10 JEEE CCNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCCN(C(=O)C2CC2)CC1 1746481464 HXZAKXKSYMOZRF-UHFFFAOYSA-N 463.586 2.428 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CN(CC(C)C)CCO1 1748664138 CYCQQIRPEDKWHA-OALUTQOASA-N 473.647 2.053 30 10 JEEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](F)c1ccc(Br)cc1 1748766031 CXIMEINQNFORDG-DOMZBBRYSA-N 458.357 2.431 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1CCOc1ccc(F)c(F)c1)[C@H]1CCS(=O)(=O)C1 1748811480 HTALCXZEYMECOZ-INIZCTEOSA-N 475.521 2.268 30 10 JEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1CCC(=O)NC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1748820155 ZTOUSNWPYFCZRA-IBGZPJMESA-N 492.045 2.454 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(OC)c(O)c1 1748860730 ZQWXHFVYYHPZIY-IBGZPJMESA-N 481.553 2.422 30 10 JEEE C=C(Br)Cn1c(-c2ccccc2F)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1749099021 VGSLEHZZABAOFI-UHFFFAOYSA-N 479.354 2.166 30 10 JEEE C=CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1749406707 MLTRSWWNQPIEHQ-NRFANRHFSA-N 471.650 2.280 30 10 JEEE C=CCCOCCn1c(-c2ccc(CC)cc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1749448020 SBIUOMHSUMJFBK-UHFFFAOYSA-N 480.613 2.371 30 10 JEEE C=CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CC(F)(F)CO1 1749592064 AXVVTCVRRYXSJN-MRXNPFEDSA-N 456.515 2.412 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1749672072 PAEUZRZCTKWHCI-UHFFFAOYSA-N 469.565 2.037 30 10 JEEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCOC[C@H]1CCOC1 1760170711 NLGMMCWUDDRVLT-GOSISDBHSA-N 450.543 2.188 30 10 JEEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCNc1nccc(C(F)(F)F)n1 1760175973 WEMUZLLJBRCRDH-UHFFFAOYSA-N 486.506 2.442 30 10 JEEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCN(C)CC(F)(F)F 1760176362 IFQGKXJTGXOUHC-UHFFFAOYSA-N 463.552 2.206 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](C)Cc1cccs1)[C@H]1CCS(=O)(=O)C1 1760184740 YHEUBDRXRZKSLK-ROUUACIJSA-N 498.634 2.492 30 10 JEEE C#CCN(c1nnc(COCC)n1CC(C)(C)c1ccc2c(c1)OCO2)[C@@H]1CCS(=O)(=O)C1 1760193210 WRROCLRVXFPDRA-GOSISDBHSA-N 474.583 2.148 30 10 JEEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCc1nccc(C(F)(F)F)n1 1760196454 OEAIHDJUQCXGIU-OAQYLSRUSA-N 462.476 2.443 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC(=O)N(C)CC 1760216661 WRYRMZHJRQXOBP-UHFFFAOYSA-N 459.554 2.006 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)cn3C)n2CC(C)(C)OC)CC1 1760266562 DGFAAMINWFXORO-UHFFFAOYSA-N 477.407 2.437 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H]2CC=CCO2)CC1 1760267340 ZQPYMBPGBGWLQJ-FQEVSTJZSA-N 465.554 2.273 30 10 JEEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1760277167 CLNLJFDHWZAMRF-APWZRJJASA-N 455.584 2.291 30 10 JEEE C=C(Br)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1760303567 QWSQWAXLFKYBTJ-INIZCTEOSA-N 470.331 2.198 30 10 JEEE C=C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2Cc2nncn2CC)CC1 1760384319 SDARJJGUWMXANZ-UHFFFAOYSA-N 456.576 2.012 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CN(Cc3ccccc3)CCO2)C1 1760533031 AHEFJQWRNXDONW-YADHBBJMSA-N 468.602 2.099 30 10 JEEE CC[C@H](C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1763927066 GEQFBWHVCIESHJ-GHTZIAJQSA-N 499.641 2.126 30 10 JEEE C=CCNC(=O)NS(=O)(=O)c1ccc(CCNC(=O)/C=C/c2cc(OC)ccc2OC)cc1 1858978602 DDUQMTNQOAYBKG-KPKJPENVSA-N 473.551 2.250 30 10 JEEE CCC[C@H](NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(=O)N(CCOC)CCOC 1868795130 JGARSFZRZWGMFP-VQTJNVASSA-N 464.632 2.431 30 10 JEEE C=CCOc1ccccc1OCC(=O)Nc1nc(N2CC(O)C2)nn1-c1ccc(OC)cc1 1869998731 HYDLMJJCQXZLGH-UHFFFAOYSA-N 451.483 2.039 30 10 JEEE COCCCN1C(=O)c2ccc(C(=O)Nc3c(C#N)nnn3-c3cccc(OC)c3)cc2C1=O 1870141611 ASDPNIYUJSPJEA-UHFFFAOYSA-N 460.450 2.032 30 10 JEEE CCOc1ccc(CCC(=O)Nc2c(C#N)nnn2-c2ccc3c(c2)C(=O)N(C)C3=O)cc1OC 1870155994 QMZHCMDGGNDNGY-UHFFFAOYSA-N 474.477 2.343 30 10 JEEE COc1ccc(N2C[C@@H](C(=O)Nc3c(C#N)nnn3-c3ccc(OC)c(OC)c3)CC2=O)cc1 1870159778 RWXGXYFNFQFSCV-AWEZNQCLSA-N 462.466 2.156 30 10 JEEE Cc1cccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NCC#CCN2CCc3ccccc3C2)c1 1891427395 SZKATNZINKQEGR-XMMPIXPASA-N 451.592 2.326 30 10 JEEE N#Cc1nccnc1O[C@@H]1CCCN(C(=O)c2cccn(Cc3cccc([N+](=O)[O-])c3)c2=O)C1 1892001379 MOMRIIXZCBHLGV-GOSISDBHSA-N 460.450 2.150 30 10 JEEE COC(=O)c1ccc(OC)c(S(=O)(=O)N2CCC(CN(C)c3ncccc3C#N)CC2)c1 1892042371 LPUDMCZIVXOPIF-UHFFFAOYSA-N 458.540 2.286 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1CO 2060127887 NQIOJQFTJKLDQY-ZACQAIPSSA-N 454.568 2.308 30 10 JEEE CC(C)(C)OC(=O)N1CC(O)(CCNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2255832913 UDOQMZMMTHWZIF-UHFFFAOYSA-N 452.382 2.149 30 10 JEEE CC1(C)OB(c2scnc2C(=O)NCC[C@H]2CN(Cc3ccccc3)CCO2)OC1(C)C 2267171330 IOHKWSDIASRNEA-SFHVURJKSA-N 457.405 2.463 30 10 JEEE CN(C)C(=O)CN(Cc1ccccc1)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2267467534 DGMHUGAUKVCYTI-UHFFFAOYSA-N 478.445 2.468 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC3(CC(NC(=O)OCc4ccccc4)C3)C2)n1 2267491874 KGKVCOJAIDULHZ-UHFFFAOYSA-N 480.374 2.250 30 10 JEEE COC[C@@](C)(CC(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1)NC(=O)OC(C)(C)C 2268602894 MVRVUNWBTZNDEM-OAQYLSRUSA-N 469.413 2.378 30 10 JEEE C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@H](C)c1nscc1B1OC(C)(C)C(C)(C)O1 2268637653 OCCTZVXGJPJKKN-XJKCOSOUSA-N 469.413 2.236 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2F)[C@@H](O)C1 2281783996 RZBWKKRMCDRNFG-SJORKVTESA-N 464.343 2.225 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1COCCN(C(=O)c2cccc(F)c2B2OC(C)(C)C(C)(C)O2)C1 2281786567 GPXXOOHRVXYBTC-HNNXBMFYSA-N 464.343 2.491 30 10 JEEE Cn1ncc(C(=O)N2CC[C@H]3CN(Cc4ccccc4)C[C@@H]3C2)c1B1OC(C)(C)C(C)(C)O1 2281810382 OOMOVJKXSJVHNJ-VQTJNVASSA-N 450.392 2.313 30 10 JEEE CCC1(NC(=O)OC(C)(C)C)CCN(C(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)CC1 2281955284 JRRHYFKZXHQQBV-UHFFFAOYSA-N 463.388 2.024 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCCO[C@H]2[C@H]1NC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2282003503 CHJXBQNBHQBWQT-DRPJVOAASA-N 479.408 2.243 30 10 JEEE Cn1cc(C(=O)N2CC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)nc1B1OC(C)(C)C(C)(C)O1 2282052696 PPJIGDCOJCYWON-QHCPKHFHSA-N 460.384 2.192 30 10 JEEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@H]3CCCN(C(=O)C(F)(F)F)C3)cc2)OC1(C)C 2282345336 GMXPNNWMDOHMKV-CQSZACIVSA-N 476.326 2.065 30 10 JEEE C[C@@H]1C[C@@H](NC(=O)C(F)(F)F)CCN1S(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2282349688 BYMRKUXDDSYWMQ-KGLIPLIRSA-N 476.326 2.206 30 10 JEEE CN(Cc1ccccc1)[C@H]1CCCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)nn2C)C1 2282417314 HGHMUQOULMAJTO-IBGZPJMESA-N 474.436 2.004 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1S(=O)(=O)N1C[C@H]2C(NC(=O)OC(C)(C)C)[C@@H]2C1 2282500885 OZAIKAHIPCWPGK-IAGOWNOFSA-N 478.420 2.438 30 10 JEEE CC(C)(C)OC(=O)N1CCCN(CCNC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)CC1 2282522125 GNVRNLNXUCONCB-UHFFFAOYSA-N 480.440 2.115 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1C[C@@H](C)CN(C(=O)OC(C)(C)C)C1 2282588863 XOBXDDNMRJOVGD-GDBMZVCRSA-N 462.400 2.403 30 10 JEEE CC(C)(C)OC(=O)NC[C@H](CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)C(F)(F)F 2282626799 DUFSITAXXWIGHS-LBPRGKRZSA-N 474.289 2.209 30 10 JEEE C[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2282629422 VPYKPIGQUXVNIZ-HZPDHXFCSA-N 462.400 2.485 30 10 JEEE Cn1nc(C(=O)N2C[C@H]3C[C@@H](NC(=O)OC(C)(C)C)C[C@H]2C3)cc1B1OC(C)(C)C(C)(C)O1 2282629620 YBBWSKFIPDZOEK-ARFHVFGLSA-N 460.384 2.237 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)CC2(CC2)C1 2282692278 VYACSYZRNMSALF-HNNXBMFYSA-N 458.368 2.295 30 10 JEEE CN1C[C@H](NC(=O)OC(C)(C)C)[C@@H](Oc2ccc([N+](=O)[O-])c(B3OC(C)(C)C(C)(C)O3)c2)C1 2283002416 WDPBBVGGFWPSIM-WMZOPIPTSA-N 463.340 2.480 30 10 JEEE CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2283949640 AZAMODMGCZTZAL-ZBFHGGJFSA-N 465.331 2.340 30 10 JEEE CN(C[C@]1(O)CCCN(C(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)C1)C(=O)OC(C)(C)C 2286316348 PZXNKSSBEHVLMI-HSZRJFAPSA-N 464.368 2.413 30 10 JEEE Cn1c(=O)nc(O)c2c1nc(NN=Cc1ccccc1Cl)n2C[C@@H](O)COc1ccccc1 2327751581 LNIPXEJOZHTQEP-OAHLLOKOSA-N 468.901 2.375 30 10 JEEE COc1cc(OC)c(OC)cc1C=Nn1c(Cc2ccccc2[N+](=O)[O-])nnc1SCC(N)=O 2328465469 HSBAXNMLFCGINI-UHFFFAOYSA-N 486.510 2.263 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H]3CC[C@H]32)n1C 2362333247 RPSQCYYIQVTDMX-HZPDHXFCSA-N 460.384 2.252 30 10 JEEE COc1cccc(CN/C(=N/c2cccc(C(=O)O)c2)N2CCN(CC(=O)NC(C)C)CC2)c1 46022074 APSBHYCTJWUMGA-UHFFFAOYSA-N 467.570 2.313 30 10 JEEE CCCCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccc(OCC)cc1 729670139 JKFUTUDXBBHVFD-UHFFFAOYSA-N 487.585 2.365 30 10 JEEE C/C=C\C[C@H](C)[C@H](OC(C)=O)[C@H](C=O)N(C)C(=O)[C@H](NC(=O)[C@@H](CC(C)C)NC)C(C)C 1083142263 JAUFAMFQTMVIEO-IDVJSXGGSA-N 453.624 2.321 30 10 JEEE CCc1nnc(CN(C(=O)CSc2nnc(NN=Cc3ccc(C)cc3)n2N)C(C)C)o1 1084086448 GONJUBKNISWKAX-UHFFFAOYSA-N 457.564 2.221 30 10 JEEE C#CCCOc1ccc(C(=O)NCC[C@@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)cc1 1133630236 HZDBYHMABJVRRR-LJQANCHMSA-N 450.557 2.243 30 10 JEEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCN(Cc3cc(OC)cc(OC)c3)C2)cc1 1137328526 FISFLYUJKJMGRQ-LJQANCHMSA-N 459.568 2.172 30 10 JEEE C[C@H]1CN(c2ccc(NC(=O)C[C@@H](C)/N=C3/NS(=O)(=O)c4ccccc43)cn2)C[C@@H](C)O1 1156491884 BXFPOEGJTWMBCH-OAGGEKHMSA-N 457.556 2.151 30 10 JEEE C#CC[C@@]1(C(=O)N2C[C@@H](C(F)(F)F)[C@H](S(C)(=O)=O)C2)CCCN1C(=O)OC(C)(C)C 1279033483 VOGPWIZXUMAJME-LBTNJELSSA-N 452.495 2.213 30 10 JEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 1286323628 KZVQQBHQEHDSFT-OALUTQOASA-N 463.648 2.362 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@](C)(O)C(C)C 1286454250 HXCSIGJISPGZSJ-KKSFZXQISA-N 451.568 2.074 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCCO2)n1Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 1286469032 CKGGOGYLOJNZJI-RTWAWAEBSA-N 453.543 2.381 30 10 JEEE C#CCN1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCC(=O)N[C@H](C)CC)CC1 1286476936 KIEIIVNHNUPHQD-HXUWFJFHSA-N 460.586 2.191 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2CCC(=O)N[C@H](C)CC)CC1 1286493407 HAOGIWLYVGNITF-QGZVFWFLSA-N 456.616 2.201 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1286568165 XVYMSGNFXLFJLZ-KNQAVFIVSA-N 474.631 2.105 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(CC(=O)N(C)C)CC1 1286587591 MMIPUSBSTAZJCU-UHFFFAOYSA-N 474.631 2.466 30 10 JEEE C=CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1286691248 XJUYCYPLCWCTNH-FQEVSTJZSA-N 454.579 2.263 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](CNC(=O)c2ccccc2)C1 1286788229 SIBHTFJXIQONER-PZJWPPBQSA-N 466.586 2.468 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCN2C2CCCCC2)C1 1286800544 MSEXVUQDPIDYQD-HLAWJBBLSA-N 480.679 2.467 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cccc(OC)c2OC)C1 1286810332 PQBHLRURZHEOSL-MSOLQXFVSA-N 462.572 2.027 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCn2cncn2)C1 1286814380 RDWWSJHVEPAURN-ROUUACIJSA-N 458.567 2.423 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCO[C@@H](c2ccccc2)C1 1286823082 RFLDGWAARNLOCT-OAQYLSRUSA-N 453.568 2.443 30 10 JEEE C=CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1286831509 HEBVGMHKQZTTLD-KSZLIROESA-N 492.646 2.221 30 10 JEEE CC(=O)N1CC[C@@H](CN(C)c2nnc(COc3ccc(C#N)cc3)n2CCN(C)C(C)C)C1 1286848001 DDAPJPPHVIXKKD-NRFANRHFSA-N 453.591 2.374 30 10 JEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](CC)[C@@H]2CN(Cc3ccccc3)CCO2)cc1 1294531421 YMALSVNGYYXZRZ-GOTSBHOMSA-N 455.580 2.008 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2CC(=O)NCc2ccco2)c1 1300336813 OHBVFHRNTINOIC-HXUWFJFHSA-N 462.510 2.095 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(NC(=O)N(C)C)cc1 1300506386 RTOCDZFGNKOZSJ-UHFFFAOYSA-N 456.510 2.140 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1ccncc1Cl 1300664694 UGNWICJOLWQTLO-UHFFFAOYSA-N 463.929 2.375 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2cccc(OC)c2)CC1 1300710730 JLZJIJLFDPGKNJ-UHFFFAOYSA-N 466.586 2.219 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2CCN2CCOCC2(C)C)CC1 1300718970 JLDLLRNQHWIYFN-UHFFFAOYSA-N 480.613 2.030 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cc(OC)cc(OC)c1 1300762060 GTRRBZOZMYKWEV-QGZVFWFLSA-N 464.613 2.200 30 10 JEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCCN(C(=O)c2ccccc2)CC1 1300972760 PSCJCVJWLLCDOE-UHFFFAOYSA-N 466.586 2.459 30 10 JEEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1300997062 OLARLENUZZMOGJ-UHFFFAOYSA-N 478.601 2.158 30 10 JEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC(=O)Nc1cccc(C)c1C 1301223086 MONZGROOKNFQKI-FQEVSTJZSA-N 490.630 2.269 30 10 JEEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1301229114 HIKNDMLOCZCKTO-UHFFFAOYSA-N 472.615 2.311 30 10 JEEE C=CCCOCCn1c([C@H]2CCCCO2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1301252851 RQRKIAQWPFUJLS-OAQYLSRUSA-N 460.623 2.247 30 10 JEEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1301260090 VZIQVNHUFWFGBG-UHFFFAOYSA-N 465.606 2.466 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC(NC(=O)NC2CCCCC2)CC1 1301505940 CRIGZXAWCHSTOG-UHFFFAOYSA-N 480.617 2.167 30 10 JEEE C=CCOc1ccccc1Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1301529264 KLJQMEIKFGUZEV-GOSISDBHSA-N 485.614 2.057 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCC(C)(c2nc(C)no2)CC1 1301589143 OECXQSLREGNKSW-QGZVFWFLSA-N 464.592 2.370 30 10 JEEE Cc1nnc(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N(Cc2ccc(C#N)cc2)C2CC2)s1 1304778164 FTDJBPKYMAWZPA-AWEZNQCLSA-N 486.627 2.332 30 10 JEEE CS(=O)(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCSC2)C1 1316342417 CEGLXBPEHOIFIP-PKOBYXMFSA-N 461.613 2.495 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CNC(=O)c3cccs3)n2CC2(C)COC2)c1 1358903013 IUWHZQXZVBJACT-UHFFFAOYSA-N 478.578 2.362 30 10 JEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 1358904896 OCUMQAXDTIMADA-QGZVFWFLSA-N 478.644 2.024 30 10 JEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(=O)NC1CCCCC1 1358949768 MTHVIWSRAVRCRY-IBGZPJMESA-N 474.606 2.495 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CN(CC(C)C)CCO1 1358971027 FHGYBMWSDXZQKC-SFHVURJKSA-N 459.392 2.465 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1CC(=O)NC1CCCCC1 1359025794 ZALIFQCINTXVOU-NRFANRHFSA-N 453.543 2.326 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1359099830 TYOWTMCWTAQNGI-SBHAEUEKSA-N 451.637 2.462 30 10 JEEE C=C(C)COCCn1c(COc2ccc(F)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1359136120 ADWHUJDVVRSBCN-IBGZPJMESA-N 472.521 2.062 30 10 JEEE C=CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(NS(=O)(=O)CC)CC1 1359214057 QJXIVCYVLVSBJA-UHFFFAOYSA-N 471.587 2.468 30 10 JEEE C=CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCN/C(O)=C1\N=CC=CC1=O 1359230891 IKGBWAPXHMAIGZ-CZIZESTLSA-N 469.933 2.010 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC(CC(N)=O)CC1 1359295213 UHZDTSPGUZLPCD-UHFFFAOYSA-N 475.391 2.410 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1359309298 NQXKWLTWZOZHHS-NSHGMRRFSA-N 475.615 2.364 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@H](C)[C@H](OC)C1 1359329766 UCRHDCCLHYWPNB-OXJNMPFZSA-N 464.588 2.424 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccccc2Cl)CC1 1359330760 CDSMUKBHMKEHTI-UHFFFAOYSA-N 476.006 2.259 30 10 JEEE COC(=O)Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1F 1436866062 FHYCJFLFECQLEZ-UHFFFAOYSA-N 459.499 2.452 30 10 JEEE CC(=O)Nc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)N3CC(C)(C#N)C3)cc2)cc1 1448715719 CQVXNKWRQKFUPI-UHFFFAOYSA-N 456.524 2.221 30 10 JEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)OCC)([S@@](C)=O)CC1 1468159578 VYLJILAZDBOGRF-MLNJSSBLSA-N 450.985 2.325 30 10 JEEE CCN(CC)C(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)C(C)C)CC1 1501789090 FCVUINDUJWOCEJ-UHFFFAOYSA-N 466.590 2.173 30 10 JEEE C#CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1507572234 CPOJFVYWBZIBIL-UHFFFAOYSA-N 472.615 2.421 30 10 JEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1nc([C@H](C)SCC)no1 1507590231 CNMNKKCSEUQCGK-GJZGRUSLSA-N 452.606 2.427 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCSC1)[C@@H]1CCS(=O)(=O)C1 1507624552 BMJORFMBBYSZLD-DZGCQCFKSA-N 484.445 2.416 30 10 JEEE C#CCN(c1nnc(C2CCCC2)n1CCNc1nccc(C(F)(F)F)n1)[C@H]1CCS(=O)(=O)C1 1507631570 FMLKDLNVIZOXAQ-INIZCTEOSA-N 497.547 2.483 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(C)o3)n2Cc2ccc(CS(C)(=O)=O)cc2)CC1 1507721481 SXOUUOSMQGQRPI-UHFFFAOYSA-N 453.568 2.195 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2CC[S@@](=O)C(C)(C)C)CC1 1507735880 AGDIBLVLMVRESV-MGBGTMOVSA-N 471.627 2.467 30 10 JEEE C#CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1507748871 UZAYZFHOFRPCTA-HXUWFJFHSA-N 455.584 2.148 30 10 JEEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)c1ccccc1 1507752008 TWCNDZDAHUMTLF-QUCCMNQESA-N 477.656 2.217 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1508073849 PPAKCDGHBHWNDE-ZSDSOXJFSA-N 493.406 2.121 30 10 JEEE C[C@@H](Cn1c(-c2ccc(Br)s2)nnc1N1CCO[C@@H](C#N)C1)N1CCOCC1 1510030137 FRUBDYAUTPLRAW-KBPBESRZSA-N 467.393 2.219 30 10 JEEE CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)Nc1c(C#N)c(C)nn1C)n2C 1531533555 DMKPFZRADUZSFN-UHFFFAOYSA-N 457.560 2.089 30 10 JEEE C#CCCCCn1c(-c2ccccc2OC)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1539060528 WXIUMNRBHOLTGU-UHFFFAOYSA-N 497.625 2.310 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1cccc(C(=O)NCC)c1)[C@@H]1CCS(=O)(=O)C1 1539202366 HJEZTZQLNVFRBO-LJQANCHMSA-N 457.600 2.000 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccc(Br)cc2)n1C[C@@]1(OC)CCOC1 1539288874 IPMGVKRSZIMCJN-NRFANRHFSA-N 459.344 2.498 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCN1C[C@H](C)O[C@@H](C)C1 1539311981 FTDFXMKYMARWTA-SFTDATJTSA-N 497.669 2.200 30 10 JEEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C 1539421764 XSRXOMZNOPSYEJ-RBUKOAKNSA-N 474.606 2.132 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2Cc2nccs2)CC1 1539474440 QWHGVCQGGDFWMS-UHFFFAOYSA-N 466.567 2.433 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](CC)NC(=O)OC(C)(C)C)CC1 1539482848 XNTLEUUTVPNXAF-RTBURBONSA-N 474.606 2.051 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCCc3ccccc3)n2CC[C@H]2COCCO2)CC1 1539488535 LNFDYWGWWMGYRE-QHCPKHFHSA-N 465.598 2.225 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(NC(=O)C(C)C)CC1 1539613143 VWOLLZOHAVNPCQ-UYAOXDASSA-N 458.607 2.236 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CCO)CCc1ccccc1 1539633227 XHGIXMDLZUWRMR-VSKRKVRLSA-N 474.627 2.203 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1539637476 QVSXFGDYMVRSTI-IEZWGBDMSA-N 451.618 2.238 30 10 JEEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1540006806 WWJVXIBASGEWTB-GOSISDBHSA-N 461.588 2.319 30 10 JEEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(O)CCN(C(C)C)CC1 1540064361 QEKBPGOMEHJFNQ-UHFFFAOYSA-N 451.575 2.050 30 10 JEEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCO[C@H](c2ccc(F)c(F)c2)C1 1540909099 XPNOLWRXYBREPE-SFHVURJKSA-N 456.515 2.272 30 10 JEEE CO[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1)C(C)C 1554636593 HYMZJZCAYQDVCH-FCHUYYIVSA-N 465.602 2.231 30 10 JEEE C#C[C@@H](NC(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(F)cc1)C1CCOCC1 1557578426 LOIVXWJJNHVTJL-DHIUTWEWSA-N 456.539 2.486 30 10 JEEE C#CCN(C(=O)NCC(C)(C)CS(N)(=O)=O)[C@H]1CCOc2ccc(Br)cc21 1565215547 KHHDIPNGAFOVHI-HNNXBMFYSA-N 458.378 2.232 30 10 JEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(O)(Cc2cccc(C)c2)CC1 1587807483 DSAYXTQAKCGXAN-IBGZPJMESA-N 459.616 2.184 30 10 JEEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccccc1OC)[C@H]1CCS(=O)(=O)C1 1588034646 JVNGQEIRDSBICG-GBXCKJPGSA-N 488.610 2.002 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H](C)Oc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1588050903 XMLULQVGQGNPOF-RTBURBONSA-N 466.567 2.138 30 10 JEEE C#CCN(c1nnc(CC2CCCC2)n1CC[S@](=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1588064637 MJPUMTDVFFWKOW-LBEKAKSKSA-N 454.662 2.185 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CC(=O)NCC(F)F)CC1 1588741320 ATOYXLMHGAUVNV-HNNXBMFYSA-N 466.920 2.208 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2C[C@@H](CC)N2CCCC2)CC1 1588871766 PKXLJULUTPCJGM-OAQYLSRUSA-N 452.603 2.495 30 10 JEEE C#CCSCCn1c(N2CCN(c3cc(C#N)ccn3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1589124951 FSAPXSAVBJUAKR-XMMPIXPASA-N 481.626 2.278 30 10 JEEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2ccc(O)cc2)CC1 1589135409 YRENMLOEMLEGFY-RXVVDRJESA-N 457.600 2.401 30 10 JEEE C=C(Cl)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@H](C(=O)OC)C1 1593833704 BONMFMPXSKMVGY-MRXNPFEDSA-N 467.979 2.337 30 10 JEEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(F)c(OC)c2)CC1 1594807427 OPFFSOGWSWZIOW-IBGZPJMESA-N 458.538 2.296 30 10 JEEE C=CCN(c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCn1ccnn1)C1CC1 1595058882 WPFFBBBURPXBIZ-GOSISDBHSA-N 458.567 2.423 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1595490015 KZCGXXAMAPUSBK-CQSZACIVSA-N 478.395 2.031 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H](C)CC[C@@H]1C 1595497046 OISKRNYCMYYLRK-SJORKVTESA-N 460.604 2.122 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1595805854 WABGXDZRBZCTPH-GOSISDBHSA-N 487.047 2.137 30 10 JEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nc(C)cs2)CC1 1595884975 XTIMJYYVDSXMAL-INIZCTEOSA-N 468.674 2.191 30 10 JEEE CCc1nnc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(N(C)S(C)(=O)=O)CC2)s1 1613903917 AFLHQMGFKMOLJM-UHFFFAOYSA-N 486.627 2.139 30 10 JEEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN(C)C(C)C)C1 1615972576 GMJMXCSAOGWWCH-FQEVSTJZSA-N 459.620 2.065 30 10 JEEE C#CC[C@]1(C(=O)N2CCC(Oc3ccnc(C(N)=O)c3)CC2)CCCN1C(=O)OC(C)(C)C 1631782065 QEQPPUBCNCBMFO-XMMPIXPASA-N 456.543 2.343 30 10 JEEE C=CCOC[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1)C(=O)OC 1634058973 UWHIOZJFFSZSKU-HXUWFJFHSA-N 452.573 2.071 30 10 JEEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NCCNC(=O)NC)c1 1638705248 YFYVGZVMUOLNGN-UHFFFAOYSA-N 450.948 2.380 30 10 JEEE Cc1nsc(N2CCN(CC(=O)N3CCC(C(=O)N4CCCCCC4)CC3)CC2)c1C#N 1653757904 CTCVEULJRKQRHG-UHFFFAOYSA-N 458.632 2.086 30 10 JEEE C=CC[C@@H]1CCCN(C(=O)NCCS(=O)(=O)N2CCN(c3ccc(OC)cc3)CC2)C1 1683683814 BUIQODFCRNZMBE-LJQANCHMSA-N 450.605 2.145 30 10 JEEE C#CCCCn1c(COc2cccc(C)c2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1689937236 SUFWCIGNHOURBB-XMMPIXPASA-N 450.543 2.393 30 10 JEEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1sc(C)nc1C)[C@@H]1CCS(=O)(=O)C1 1689982042 GRKRLMLCXUQWGP-XMSQKQJNSA-N 493.655 2.067 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1CCCN1CCCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1689986125 JDDFYQOXWZZSHC-FPOVZHCZSA-N 456.616 2.231 30 10 JEEE C#CCN(CC#CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1cc(C)nn1C 1690052136 BPNNJJRBOMLBED-UHFFFAOYSA-N 470.625 2.196 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1690096468 ULGSAWVQCWOZTF-RDPSFJRHSA-N 488.610 2.163 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1690096469 ULGSAWVQCWOZTF-YKSBVNFPSA-N 488.610 2.163 30 10 JEEE C=C(Br)Cn1c(Cc2ccsc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1690230669 MTNFYBSPSUTVHF-UHFFFAOYSA-N 493.431 2.110 30 10 JEEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1690234779 NIOHJURWLRVBMH-JKQORVJESA-N 454.369 2.158 30 10 JEEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H](c1cccs1)N1CCOCC1 1690287670 OQUFQNWUOKEMSJ-QZTJIDSGSA-N 465.645 2.328 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1690663897 HSZLSLMOQRYJJK-QFBILLFUSA-N 474.993 2.066 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1C[C@H](C)S[C@H](C)C1 1690669092 UBBWPWHEDAEZOD-IYBDPMFKSA-N 467.599 2.307 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(NC(=O)N(C)C)cc2)C1 1690699483 FTYAMNAHAQDRON-ICSRJNTNSA-N 488.614 2.103 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2Cc2ncn(C)n2)C1 1690699590 HAACKPAJPWNXHF-GOSISDBHSA-N 472.594 2.351 30 10 JEEE N#Cc1ccc(OCc2nnc(N3CCC(C#N)CC3)n2C[C@@H]2CCCS(=O)(=O)C2)cc1 1698488525 DKAKWHVRTXSIER-IBGZPJMESA-N 454.556 2.294 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1CCS(=O)(=O)N(C)C 1705480603 UDKIERMSXUOJKQ-LBPRGKRZSA-N 458.357 2.196 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCO[C@H]1C(C)C)[C@H]1CCS(=O)(=O)C1 1705567558 YSFVEMFAZWSDSL-ZJOUEHCJSA-N 457.600 2.336 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CC1CN(C(=O)OC(C)(C)C)C1 1705588887 HANHSORQLURWDO-UHFFFAOYSA-N 463.542 2.255 30 10 JEEE C#CCN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCn1cc(Br)cn1 1705605804 RQJPOGLWGHWFTN-LJQANCHMSA-N 451.369 2.437 30 10 JEEE C#CCN(CCOC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cc(Cl)c2c(c1)OCCO2 1705622865 XPJJHUSZVWCHAE-HSZRJFAPSA-N 476.961 2.489 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCOC3)n2Cc2ccc(F)cn2)n1 1705632166 WRDWWBQJLRZLCZ-SFHVURJKSA-N 453.522 2.237 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCN2CCN(C)C(C)(C)C2)CC1 1705633662 VMYSFFUYCUGZKT-OAQYLSRUSA-N 483.636 2.338 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccnc(OC3CCCC3)c2)CC1 1705644498 SFKQOILIWWJGKB-UHFFFAOYSA-N 493.612 2.147 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC(C)(C)N2CCCCC2)CC1 1705645394 SHNWQSPDEOMIQG-SANMLTNESA-N 486.661 2.161 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CCCSC)CC1 1705647112 AJJQRFQEHSXRLB-UHFFFAOYSA-N 493.637 2.394 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H](OCC)C(C)C 1705674461 JOLKBFKWYCAXLM-NNMXDRDESA-N 467.636 2.054 30 10 JEEE C=C(Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2cnn(C)c2)C(=O)C1)c1ccccc1 1705741101 GDPOJCSMARCUNN-UHFFFAOYSA-N 476.585 2.497 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOC)[C@H](CC)C1 1705792044 LFJZKCXNCCZXGK-RTBURBONSA-N 453.653 2.330 30 10 JEEE C=CCCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1705821999 PHXNWJMGTFOGEU-WMZHIEFXSA-N 468.650 2.485 30 10 JEEE C=CCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCN(C(=O)NC(C)(C)C)CC2)cc1 1705912101 YXUQOVUVXBCNHE-HXUWFJFHSA-N 481.601 2.472 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1705921110 LRWUYGQGJDDIGW-MJGOQNOKSA-N 491.614 2.168 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](Cc2ccc(C#N)cc2)C1 1705928331 OYEUZVCFVXYMTM-JOCHJYFZSA-N 496.637 2.446 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1705933367 DVAPEHIGWGHCCC-SFHVURJKSA-N 491.017 2.384 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCn1c(C)nc2ccccc21 1708757311 DOSSYWPYDOCBGQ-GOSISDBHSA-N 450.547 2.284 30 10 JEEE CCCNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1709829005 AQMZMNPMUNKLTA-NRFANRHFSA-N 478.601 2.315 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1C[C@H]1NC(=O)CC1(C)C)[C@@H]1CCS(=O)(=O)C1 1722360792 WECLYZWQNPZQAB-WOJBJXKFSA-N 469.611 2.049 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1ccc(OCCC)nc1)[C@H]1CCS(=O)(=O)C1 1722368437 RMWXQKQGHARPFZ-UXHICEINSA-N 473.599 2.031 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCN(CC(F)(F)F)C2)CC1 1722435985 UOYCHBGICNOTFC-LJQANCHMSA-N 457.504 2.456 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2ccc(F)cc2Cl)CC1 1722447566 JXYJAMFXQGNPJK-LJQANCHMSA-N 472.952 2.230 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2Cc2ccc(OC)nc2)CC1 1722448946 JASCZKDSTFWDMA-UHFFFAOYSA-N 474.565 2.295 30 10 JEEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1722451973 KQQDYKNFIPPVCY-AWEZNQCLSA-N 472.434 2.416 30 10 JEEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1722454978 QRUSITYTAQNJIV-QGZVFWFLSA-N 464.613 2.342 30 10 JEEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1722482929 DUDLCXLANNPPJD-CQSZACIVSA-N 472.409 2.076 30 10 JEEE C=C(Cl)Cn1c(N(C)CCN2C(=O)c3ccccc3C2=O)nnc1[C@@]1(OCC)CCOC1 1722556779 FXWSRDLMYCRDAU-JOCHJYFZSA-N 459.934 2.415 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCCO2)n1C[C@@]1(O)CCS(=O)(=O)C1 1722660105 LTOHVSIAATWRLB-UGKGYDQZSA-N 464.563 2.401 30 10 JEEE CCCC(O)(CCC)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1727960510 HWBSXUCUKZKSQO-NRFANRHFSA-N 454.575 2.489 30 10 JEEE CN(CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2C#N)CC1)C(=O)OC(C)(C)C 1729532708 GIDIIBOUXXAXTC-LJQANCHMSA-N 494.600 2.294 30 10 JEEE C#CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1740570152 BHLBKBPGSUPEFO-SFHVURJKSA-N 482.610 2.492 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccccc1Br)[C@@H]1CCS(=O)(=O)C1 1740621864 PKBCZKZDNVDPDF-QGZVFWFLSA-N 489.399 2.116 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(-n2ccnc2C)c(F)c1 1740657744 XASZGFJMKRRTOR-HXUWFJFHSA-N 480.569 2.325 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C(F)(F)F)c1 1740671327 DPIMYBBNKVUKMV-QGZVFWFLSA-N 471.505 2.138 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1CC1(O)CCN(C(C)C)CC1 1740679172 OMTPSLJFTYQWJD-UHFFFAOYSA-N 482.604 2.415 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(CC(=O)N(C)C)CC1 1740754916 HNCOMMMKNVDXIH-NTKDMRAZSA-N 498.628 2.154 30 10 JEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](c2cccs2)N2CCOCC2)CC1 1740818882 XSYPHLZMPPXYMQ-MSOLQXFVSA-N 480.660 2.180 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1740848960 VPVIIBJXVMMXQA-SFTDATJTSA-N 473.666 2.063 30 10 JEEE C=CCCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1740859029 FOFIMFWXRBSDSM-INIZCTEOSA-N 460.485 2.050 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1740952291 YULVKMSIHJIDGX-RBUKOAKNSA-N 472.565 2.018 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1740973282 URRCIOLWGBMZBE-ROKPMTFOSA-N 490.626 2.366 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 1740986086 RTNRBAYJFNIBSF-IBGZPJMESA-N 498.613 2.181 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@H](C#N)C1 1740987073 OQPQJPDJTGJVDW-MAUKXSAKSA-N 465.963 2.401 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](C(=O)NC)C1 1740987481 UOXUSWKDDUGMTO-INIZCTEOSA-N 451.980 2.162 30 10 JEEE CCCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1745123119 BEQVNCYIOSKKMM-AZUAARDMSA-N 470.599 2.137 30 10 JEEE CO[C@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1748383600 CYWJHGWBRHPFIB-OAHLLOKOSA-N 487.611 2.128 30 10 JEEE C#CCN(c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@H](CC)OC)[C@@H]1CCS(=O)(=O)C1 1748808281 JGCKEJOJGTWPKV-MOPGFXCFSA-N 468.583 2.387 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1CC1(OC)CCCC1)[C@H]1CCS(=O)(=O)C1 1748818685 DMUXCPCTFPXTLD-SFHVURJKSA-N 463.629 2.220 30 10 JEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCN1CCCCCC1=O 1748829319 ZTDZFMURRIJICD-UHFFFAOYSA-N 495.653 2.412 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H]2CCOC[C@@H]2C)CC1 1748972401 HZMYDAKAFLVXHO-ICSRJNTNSA-N 471.005 2.289 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)s3)n2CC2(S(C)(=O)=O)CCC2)CC1 1748979746 LAYNLZIBSOVOOT-UHFFFAOYSA-N 498.472 2.492 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCOc2ccc(OC)cc2)CC1 1749008559 CPGUSYSUUZHFGM-UHFFFAOYSA-N 462.554 2.337 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1CCCN1CCCO[C@@H](C)C1 1749051803 NITGQHMOYPAOTP-YADARESESA-N 451.575 2.418 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)N1CCc2ccccc2C1 1749054263 QQNSCJDHADEBQQ-KHCICDEESA-N 470.643 2.327 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](CC(N)=O)C1 1749135064 CHDYQPHRNJZCBI-WWMYMODYSA-N 472.615 2.343 30 10 JEEE C=C(C)Cn1c(COCC)nnc1N1C[C@H](NC(=O)OC(C)(C)C)C2(CCS(=O)(=O)CC2)C1 1749204860 UMXBPHWHDCZTLF-KRWDZBQOSA-N 483.635 2.299 30 10 JEEE C=C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@H]2CCCN2CCCO)CC1 1749293275 HOVRVCOCKPKENC-NRFANRHFSA-N 488.658 2.199 30 10 JEEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCN(C(=O)c2ccco2)CC1 1749677839 MCWDIFQNQOAIFP-UHFFFAOYSA-N 464.526 2.023 30 10 JEEE C[C@@H]1OCC[C@@]12CN(c1nnc(-c3ccc(C#N)cc3)n1CCS(=O)(=O)C(C)(C)C)CCO2 1752445567 GYIALFLNTMVCCN-GAJHUEQPSA-N 473.599 2.414 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1CCC[C@@H]1NC(=O)NC1=O 1760104161 SSPRNMDZMVZVLH-BBRMVZONSA-N 459.348 2.462 30 10 JEEE C#CCCCn1c(N2CCN(CC(=O)N3CCCCCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1760159452 HKLYRUZHMFSRDG-AREMUKBSSA-N 486.661 2.257 30 10 JEEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1CCCN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1760181534 XAYIOTQOGVMJBD-DHIUTWEWSA-N 485.654 2.169 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Br)n1CC[S@@](=O)CC)[C@H]1CCS(=O)(=O)C1 1760185494 YDFXQRSBJADFHX-HBIPHATFSA-N 499.456 2.103 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H](c1ccc(F)cc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1760186344 BSZBUYITXUEPMC-BAGYTPMASA-N 489.617 2.241 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1ccccn1)[C@H]1CCS(=O)(=O)C1 1760192056 DHTHMCHCFNJHNU-PWRODBHTSA-N 471.627 2.461 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCc1cc(F)cc(F)c1)[C@H]1CCS(=O)(=O)C1 1760193460 ZUDPHLAXRXPZKR-RBUKOAKNSA-N 450.511 2.277 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CC(=O)Nc2c(C)cccc2C)CC1 1760260711 COADVPRQVBJDOA-UHFFFAOYSA-N 491.621 2.280 30 10 JEEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(OCCN(C)C)cc2)CC1 1760263169 QCTGRQYFKLPRDA-UHFFFAOYSA-N 479.654 2.378 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCCCCOC)CC1 1760267780 ZYIZSFSPSAFOTM-UHFFFAOYSA-N 453.543 2.456 30 10 JEEE C#CCSCCn1c(-c2ccccc2C)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1760278090 LFIOGTPFRAFFGL-IBGZPJMESA-N 452.584 2.387 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCCCO2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1760356397 MOYWEIAJIQCJQF-VXKWHMMOSA-N 468.602 2.461 30 10 JEEE C=CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC1(C(N)=O)CCCC1 1760467647 PFIOVCRHCAWRRN-UHFFFAOYSA-N 451.619 2.311 30 10 JEEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(N2CCOCC2)cc1 1760500495 LTRDWBAXRBUGGB-UHFFFAOYSA-N 454.575 2.038 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(F)cc2Br)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1760518158 KMJCOBGPSZOMEC-OAHLLOKOSA-N 493.381 2.454 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1760518426 UVSBEWDLNLDQBT-JOCHJYFZSA-N 462.957 2.341 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1760554089 RADIOYSNTVKDGA-UHFFFAOYSA-N 490.527 2.272 30 10 JEEE CC(C)COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCS(C)(=O)=O)CC1 1761136367 FHYTYVKYILMNEI-UHFFFAOYSA-N 474.587 2.166 30 10 JEEE CN(CC(=O)N1CCOCC1)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(C)CCCS1 1768588356 HNPOIENSOPHMOG-QHCPKHFHSA-N 470.599 2.309 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCOC[C@H]1C 1772660483 JSVPCPOIXOBACM-MRXNPFEDSA-N 450.561 2.178 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCNC(C)=O)[C@H]2c2ccc(O)c(OC)c2)cc1C 1862403870 GWUZISQNNKASPQ-NRFANRHFSA-N 454.479 2.432 30 10 JEEE COc1ccc(Cc2nnc(SCC(N)=O)n2/N=C/c2cc(OC)c(O)c(OC)c2)cc1 1874350552 RWSLEODHLYHZLL-FOKLQQMPSA-N 457.512 2.060 30 10 JEEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)c3cccnc3Br)CC2)CC1 1891074134 AKRAOHGVSVMCAN-UHFFFAOYSA-N 463.420 2.495 30 10 JEEE C#C[C@@H]1CCN1C(=O)c1cc(I)cc(I)c1O 1946066622 VOEVWUYPBUDGSK-MRVPVSSYSA-N 453.017 2.449 30 10 JEEE CC(C)(C)OC(=O)NCc1cn(CC(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)c2)nn1 2180971663 CAZFYWTZEGAXHK-UHFFFAOYSA-N 457.340 2.241 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@H]2[C@@H](C(=O)NCc3ccc(B4OC(C)(C)C(C)(C)O4)cc3)[C@@H]21 2185151929 RHKOOURZXRAGRG-GBESFXJTSA-N 458.364 2.236 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)NCC[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 2222543800 XGLDKPJKVBZHKT-ZHRRBRCNSA-N 454.568 2.452 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1COC[C@@H]1NC(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2255534792 LXFIGHBDTSBMBE-BBRMVZONSA-N 452.382 2.317 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CC[S@@](=O)(=NC(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)C1 2255545369 PATTWVCQVLKJAB-PSKUBERUSA-N 454.354 2.484 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)cs1 2256627079 RGUZEQKWOGAXGP-HOCLYGCPSA-N 452.382 2.034 30 10 JEEE CN(C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2256682451 ZKXCYBKBIPIBCC-ZDUSSCGKSA-N 454.402 2.226 30 10 JEEE Cc1nc(C(=O)N2CCC(CNC(=O)C(F)(F)F)CC2)c(B2OC(C)(C)C(C)(C)O2)s1 2267167373 FPKOPSWFAVGBOL-UHFFFAOYSA-N 461.315 2.281 30 10 JEEE Cc1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H](O)C2)sc1B1OC(C)(C)C(C)(C)O1 2267220527 LNSJGDIDQVDMQE-HNNXBMFYSA-N 466.409 2.410 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]1NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2267364517 AHSFWIBBSJORCD-GUYCJALGSA-N 470.372 2.316 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]1NS(=O)(=O)c1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2267468710 LYEVWUBWTAEWMK-GUYCJALGSA-N 470.372 2.316 30 10 JEEE CC1(C)OB(c2ccc(C(=O)N[C@H]3CCOC[C@H]3NC(=O)OCc3ccccc3)nc2)OC1(C)C 2267594965 GFHBAFNQPIBUCF-PZJWPPBQSA-N 481.358 2.195 30 10 JEEE C[C@@H]1OC2(CNC(=O)OC(C)(C)C)CC1(NC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1)C2 2281803178 TWWDYCDTVOSQTB-MFBUALDNSA-N 479.408 2.387 30 10 JEEE CC(C)(C)OC(=O)N1CCNC(=O)CCN(C(=O)[C@H]2C[C@@H](B3OC(C)(C)C(C)(C)O3)C2)CC1 2281950713 ZUELNXBJTWUHAZ-CALCHBBNSA-N 465.400 2.444 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CC[S@@](=O)(=NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2282039291 SRCBIJXKVLBYKS-GSLRCMBYSA-N 483.371 2.425 30 10 JEEE Cn1cc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)CC23CC3)nc1B1OC(C)(C)C(C)(C)O1 2282043157 IENHXUAQGGVSMY-MRXNPFEDSA-N 460.384 2.239 30 10 JEEE CC1(C)OB(c2cc(F)c(C(=O)N(Cc3ccccc3)CC3(O)CNC3)cc2F)OC1(C)C 2282086626 OIIAHILURKFOFG-UHFFFAOYSA-N 458.314 2.241 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)OCC1(C)C 2282192794 CBKAAXKJRCUOTL-MRXNPFEDSA-N 463.384 2.458 30 10 JEEE CC(C)(C)OC(=O)NC1(C(N)=O)CCN(C(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)CC1 2282513872 VWXFOJCHMRDVMK-UHFFFAOYSA-N 479.408 2.032 30 10 JEEE CN(C)CCCN(CCNC(=O)OC(C)(C)C)C(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2282525840 SOQOWNWJDKLPJF-UHFFFAOYSA-N 482.456 2.361 30 10 JEEE CC1(C)OB(c2cccnc2C(=O)NC[C@]2(O)CCCN(Cc3ccccc3)C2)OC1(C)C 2282678494 NDCPOIWXDBDVFL-RUZDIDTESA-N 451.376 2.138 30 10 JEEE CO[C@@H]1C[C@@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)N(C(=O)OC(C)(C)C)C1 2283952826 MKAYPGJWWZPRLZ-ZBFHGGJFSA-N 465.331 2.483 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1C(=O)NCCc1ccccc1B1OC(C)(C)C(C)(C)O1 2283970202 LLJBZKZDOMMIER-PKOBYXMFSA-N 460.380 2.184 30 10 JEEE COc1ccc(N2C[C@@H](c3nnc(SCC(N)=O)n3N=Cc3cc(C)ccc3O)CC2=O)cc1 2325880608 RSQGJYBUBLBEOY-INIZCTEOSA-N 480.550 2.281 30 10 JEEE Cn1nc(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2336900025 FJSXGGCCIZNSOL-OAHLLOKOSA-N 450.389 2.389 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(C)CC2CN(C(=O)OCc3ccccc3)C2)n1C 2337324282 SFTYHXCRXFFTMB-UHFFFAOYSA-N 482.390 2.368 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2C[C@H](NC(=O)OC(C)(C)C)C[C@@H]1C2 2362330166 CGOVSJNSJYTEBV-JYJNAYRXSA-N 460.384 2.237 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1C 2362332019 KZXOFTPMXOYJMV-JKSUJKDBSA-N 462.400 2.451 30 10 JEEE CC(C)(C)OC(=O)N1CC2(CC[C@H](NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)c[nH]3)CO2)C1 2362414268 DDMJSSFCLNIWAW-INIZCTEOSA-N 461.368 2.212 30 10 JEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)CCN1c1ccc(B2OC(C)(C)C(C)(C)O2)cc1C#N 2364933121 PHWPPSKYYNSCPR-UHFFFAOYSA-N 477.392 2.244 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@H]2C[C@@H](NC(=O)c3coc(B4OC(C)(C)C(C)(C)O4)c3)C[C@@H]21 2368868488 YVZAIBGZDXOZNU-YESZJQIVSA-N 462.352 2.476 30 10 JEEE CN(C(=O)c1nn(C)c(Cl)c1B1OC(C)(C)C(C)(C)O1)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1F 2369667023 HAHCBBJKMJRNGW-STQMWFEESA-N 486.781 2.402 30 10 JEEE COc1ccc(CCNC(=O)CSc2n[nH]c(N/N=C/c3ccc(O)cc3O)n2)cc1OC 58994322 WTJBXTOJWTYEIL-FOKLQQMPSA-N 472.527 2.130 30 10 JEEE C=C(C)COc1cc(C=c2sc(=C(C#N)C(=O)NCCC)n(C[C@H]3CCCO3)c2=O)ccc1OC 489093777 GXBTWPYSMGVSJW-LJQANCHMSA-N 497.617 2.082 30 10 JEEE Cc1nc(-c2cccc(NC(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)c2)n[nH]1 503357250 CXRWYFHOGHZXDM-UHFFFAOYSA-N 451.512 2.190 30 10 JEEE O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 504082597 PNXSDOXXIOPXPY-ZTYPAOSTSA-N 461.258 2.481 30 10 JEEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)NCCS(=O)(=O)c2ccccc2)CC1 516316146 AJMDHLRSKBVWGD-UHFFFAOYSA-N 455.496 2.112 30 10 JEEE COc1ccccc1C=NNc1nnc(SCC(=O)Nc2cccc(NC(C)=O)c2)n1N 1084271694 SJUMNFREUZMDPW-UHFFFAOYSA-N 454.516 2.136 30 10 JEEE CCC(C)=NOc1nc(NC(=O)NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)nc(N(C)C)n1 1084303269 TZCBEJUULAVNDM-UHFFFAOYSA-N 486.898 2.174 30 10 JEEE C#C[C@@H](NC(=O)c1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1)[C@H]1CCCO1 1154791756 FVHFLZISSIXMBE-YLJYHZDGSA-N 459.480 2.315 30 10 JEEE C#CCn1cc(CNC(=O)c2ccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)cc2)cn1 1156661834 KZUPXHAIMJTAEI-UHFFFAOYSA-N 452.492 2.018 30 10 JEEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1286352576 LSYRRBZSAQOYCS-OTWHNJEPSA-N 472.590 2.057 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1C[C@H](CCC)OC)[C@@H]1CCS(=O)(=O)C1 1286380822 DNPQEWDGTKFKJU-SJORKVTESA-N 498.447 2.488 30 10 JEEE C#CCN(c1nnc(C(C)C)n1C[C@H](C(CC)CC)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1286386217 WPKLXYPUNGQKQF-NHCUHLMSSA-N 465.664 2.165 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@H](c1cccnc1)C(C)C)[C@@H]1CCS(=O)(=O)C1 1286389696 OSTWXQIPWCEEAI-RTWAWAEBSA-N 467.599 2.140 30 10 JEEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H](C(C)C)N1CCOCC1 1286430822 JYGIMYQWPKTYMJ-DEOSSOPVSA-N 490.656 2.272 30 10 JEEE C#CCSCCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCS(=O)(=O)CC1 1286497726 WVMRVRYRKMQKRZ-KRWDZBQOSA-N 464.613 2.418 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1286546852 LVIZTMUHVAEBFD-IEBWSBKVSA-N 464.592 2.023 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCCO2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1286558036 ZMUUKTYOQPYVHV-HOJAQTOUSA-N 467.636 2.361 30 10 JEEE C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CCNS(=O)(=O)c1ccc(C)cc1 1286584988 SGIBNCWICQNTSZ-UHFFFAOYSA-N 469.571 2.225 30 10 JEEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(CC(=O)NC2CCCC2)CC1 1286585432 HPNLGKJOXYFJHZ-MRXNPFEDSA-N 452.625 2.130 30 10 JEEE C=CCCOCCn1c([C@@H]2CCCCO2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1286709896 HYUOHTDFZGFCSN-MZYLBHOOSA-N 474.650 2.491 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCO[C@H](c2ccco2)C1 1286780732 ZLCSHMKVJIFGDQ-FQEVSTJZSA-N 453.499 2.435 30 10 JEEE C=CCSCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCNC(=O)[C@H]1CC 1286824982 DHYFQCNTRPXPLK-MRXNPFEDSA-N 477.660 2.181 30 10 JEEE C[C@@H]1OCC[C@@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1291323056 FODGITHSRWLULK-JNAXZKDPSA-N 467.448 2.036 30 10 JEEE C=CCOC[C@H](NC(=O)c1ccccc1NS(=O)(=O)c1cc(F)ccc1F)C(=O)OC 1297030606 XOLAWHQMBOXNPN-KRWDZBQOSA-N 454.451 2.240 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCc1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1300499710 WAFDIYRBIBUPCN-HXUWFJFHSA-N 471.558 2.482 30 10 JEEE C#CCN(c1nnc(COc2ccccc2CC)n1C[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1300504612 OUUJIDBXYLQBGQ-QUCCMNQESA-N 458.584 2.083 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(OC)ccc2Br)n1C[C@]1(O)CCN(C)C1 1300561346 OHHXSZCQKXBYNX-QFIPXVFZSA-N 472.387 2.246 30 10 JEEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)N1CCc2ccccc2C1 1300603158 XMTINWRLSIVMCZ-SFHVURJKSA-N 458.632 2.185 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1(C(N)=O)CCOCC1 1300643563 LHJPZAQHONMOKV-KRWDZBQOSA-N 460.579 2.092 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1CCC1CCN(CC(F)(F)F)CC1 1300665346 YWBGMCRKWHHASW-UHFFFAOYSA-N 453.513 2.429 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@]2(C)CCCO2)CC1 1300710485 CUQHJZHAHYBOPM-GLDPYIMESA-N 458.607 2.373 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2c(C)coc2C)CC1 1300710705 IXLYOFDCNCJENI-UHFFFAOYSA-N 454.575 2.420 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](OCC)c2ccccc2)CC1 1300710781 LBFCUTCBICBJMX-QFIPXVFZSA-N 478.597 2.258 30 10 JEEE C#CCSCCn1c(-c2cccc(OC)c2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1300743666 XELIOMBVLSLZIN-AUSIDOKSSA-N 482.654 2.309 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(CCOCC)CC1 1300889278 BMHKTGYOWUGRQI-GMAHTHKFSA-N 457.623 2.279 30 10 JEEE C=C(C)CN(CC)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCCN1S(C)(=O)=O 1300920920 IATKSIBIKFXENC-MRXNPFEDSA-N 466.633 2.096 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1301311054 XNEGAWAICXAAID-SJORKVTESA-N 468.624 2.254 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCc2ccc(OC)cc2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1301587803 YBJYTTDHQREXLX-YADARESESA-N 490.626 2.057 30 10 JEEE C=CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(N2CCNC2=O)CC1 1301601965 WAVBQHKJVIZIGJ-UHFFFAOYSA-N 490.655 2.262 30 10 JEEE C[C@H](CN1CCOCC1)Cn1c(CC(C)(C)C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1303758717 GHSKYZRHJPYCQH-HXUWFJFHSA-N 466.634 2.428 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCO[C@H]2C(C)C)c1 1358902188 GYVQMNHSMMPCMS-LEDOBFOHSA-N 464.570 2.347 30 10 JEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1358933978 KYZDMQGESXECLH-QGZVFWFLSA-N 475.582 2.060 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)c1ccc(C)cc1 1358994854 XQSFMUQJMYZSRC-RBBKRZOGSA-N 469.611 2.186 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(OCC)c1 1359070137 GDNSSOGAVRZCFH-NZQKXSOJSA-N 473.599 2.050 30 10 JEEE C=C(C)COCCn1c(N2CCS(=O)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1359137698 XNYHVFNEHHGQHO-CALCHBBNSA-N 453.609 2.210 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C1CCC(NC(C)=O)CC1 1359183479 LZQUOWSFADVNNE-FAEJEUNOSA-N 454.641 2.374 30 10 JEEE C=CCC(C)(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@](C)(C(N)=O)C1 1359184332 LLPPABKXQJASJH-HSZRJFAPSA-N 474.631 2.499 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(C)no1 1359255760 JIRQIDDBRRUPKM-MRXNPFEDSA-N 455.544 2.297 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1359302459 IFPBRMHTJQILCQ-UHFFFAOYSA-N 456.532 2.179 30 10 JEEE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3ccc(C#N)cc3)n2CCCNC(=O)C2CCC2)C1 1359357836 OEZXAHVSIJYMPS-HXUWFJFHSA-N 463.586 2.428 30 10 JEEE C#CCN(C)CCCNC(=O)[C@H](Cc1cccc(Br)c1)[C@H]1CCS(=O)(=O)C1 1450484890 IOSQRJALRCIGSN-PKOBYXMFSA-N 455.418 2.114 30 10 JEEE CC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCc2cnn(C)n2)C[C@@H](C)O1 1499780786 CXKZMGCRKHBVTH-YLJYHZDGSA-N 450.547 2.494 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@]1(OC)CCOC1 1507533683 OPBNKVOBYXWXGE-MZNJEOGPSA-N 450.543 2.328 30 10 JEEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(c2ncccn2)CC1 1507587928 BOZLEBWJDFEXQP-LJQANCHMSA-N 482.589 2.117 30 10 JEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 1507590646 FTDOEJJQOUSHDR-GOSISDBHSA-N 465.620 2.335 30 10 JEEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1CCN1CCSCC1)[C@@H]1CCS(=O)(=O)C1 1507628153 VFAZXRPHWRZVNR-FGZHOGPDSA-N 487.695 2.496 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CC=CCC2)n1 1507717301 UDYRASJSMVJGSE-UXHICEINSA-N 472.615 2.019 30 10 JEEE C#CCSCCn1c(-c2ccc(Br)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1507749554 WTNUVYCIQKJSET-INIZCTEOSA-N 464.389 2.025 30 10 JEEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1507833280 IAFGNIZQEDJKND-AZUAARDMSA-N 485.658 2.225 30 10 JEEE C=CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1508042807 WYEILNLNCHNFDS-UGKGYDQZSA-N 465.602 2.322 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1508073565 KPAKHAPBEOIEJQ-CRAIPNDOSA-N 487.992 2.414 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC[C@H](OCC)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1508097676 JNWASWYBRMJSGA-KSZLIROESA-N 462.595 2.356 30 10 JEEE C=CCOc1ccccc1Cn1c(N2CC[C@@H](S(C)(=O)=O)C2)nnc1[C@@]1(OCC)CCOC1 1508110233 YZFVHTSHUADCRX-AUSIDOKSSA-N 476.599 2.167 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)Cc1ccccc1 1508141363 VJUFOKQGFSRUMJ-UHFFFAOYSA-N 488.639 2.475 30 10 JEEE CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCOCC2CCOCC2)CC1 1508244000 VCJYYXMXAGMRSF-UHFFFAOYSA-N 452.559 2.319 30 10 JEEE CCN1CCN([C@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](C(=O)OC)C2)CC1 1515890738 BFCOKZFYFJGXKI-KNQAVFIVSA-N 465.602 2.232 30 10 JEEE CO[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1)C(C)(C)C 1517817652 DTVPMJFOADXCPR-QFBILLFUSA-N 460.604 2.348 30 10 JEEE C#C[C@H]1CC[C@H](NC(=O)c2ccc(Br)c(S(=O)(=O)N3CCOCC3)c2)CC1 1534034856 HTURGVHGBISWSX-KOMQPUFPSA-N 455.374 2.392 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1C[C@@H]1CCCN1CCCO)[C@H]1CCS(=O)(=O)C1 1539211313 HHGBUDFAQYHNDE-SFTDATJTSA-N 492.045 2.072 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccccc1CN1CCC[C@H]1CO 1539290692 KRLQDZUZRWIMHA-DEOSSOPVSA-N 497.603 2.393 30 10 JEEE C#CCN(CC#CC)c1nnc(Cc2csc(C)n2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1539332417 QKNLJSCEYSAJTB-CTNGQTDRSA-N 486.667 2.301 30 10 JEEE C#CCN(CC#CC)c1nnc(Cc2csc(C)n2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1539332420 QKNLJSCEYSAJTB-TZIWHRDSSA-N 486.667 2.301 30 10 JEEE C=CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H]1CCCCS1(=O)=O 1540194535 RNCOSBUFOJLPOZ-SFHVURJKSA-N 462.572 2.322 30 10 JEEE C=CCn1c(N2CCN(CC(=O)N3CCCC[C@H]3C)CC2)nnc1[C@]1(OC(C)C)CCOC1 1540861522 VNODVVQQNGVZFR-YKSBVNFPSA-N 460.623 2.028 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1540904724 PMMDFARODBEJJO-NRFANRHFSA-N 466.629 2.306 30 10 JEEE CN(C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)CCn1cc(C#N)c(O)nc1=O 1583546269 FKEBRLJMIPVUOC-UHFFFAOYSA-N 452.342 2.498 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1cn(CCCC)nc1C)[C@H]1CCS(=O)(=O)C1 1588049826 LPTFVNHJCGWZHY-IBGZPJMESA-N 455.588 2.253 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@H]1CCOC[C@@H]1OC 1588628702 NHWCQPWYXVEOIX-UGKGYDQZSA-N 494.596 2.373 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2Cc2ccc(OC)nc2OC)CC1 1588954302 DVZMBMPPQSABLG-UHFFFAOYSA-N 480.594 2.357 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1589570588 VPOQIAGKINOZAP-YYDVJCTNSA-N 458.607 2.267 30 10 JEEE C=CCCOCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](OC)C1 1594813140 PDGMBXMRVNAKSF-ZWKOTPCHSA-N 451.568 2.404 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCN2C(=O)NC[C@H]2C1)C(C)C 1595170785 JULRDFADDKNJBS-PCCBWWKXSA-N 457.623 2.085 30 10 JEEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1595476095 HUKKALDHKZTHAT-TZIWHRDSSA-N 485.596 2.499 30 10 JEEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(Oc2ncccc2F)CC1 1595577438 RXUMEBOOLMDAKH-UHFFFAOYSA-N 499.572 2.154 30 10 JEEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N2CCOCC2)CC[C@H]1C 1612861780 DOKPONDSKILWMT-RTBURBONSA-N 452.559 2.460 30 10 JEEE N#Cc1ccc(C(=O)N[C@@H]2CO[C@@H](CN3CCN(c4cccc(C(F)(F)F)c4)CC3)[C@@H]2O)cc1 1615261354 ZQQRBHFWFHLSBR-BHIFYINESA-N 474.483 2.257 30 10 JEEE COCC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cccs2)CC1 1619551704 DERVUQXOSHEERS-UHFFFAOYSA-N 452.540 2.134 30 10 JEEE C=CCn1c(S)nnc1-c1sc(NC(=O)[C@H](C(C)C)N2CCCS2(=O)=O)nc1C 1632837244 PYRGKJIAOVACGM-LBPRGKRZSA-N 456.619 2.183 30 10 JEEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H]2CCN(Cc3cc(OC)cc(OC)c3)C2)c1 1662105875 HGBHTGVBFQFLTE-IBGZPJMESA-N 459.568 2.172 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2Cc2ccc(C)n(C)c2=O)c1 1689872441 YPNHDSIABZUUAH-UHFFFAOYSA-N 481.560 2.376 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CCCc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1689982955 XTWGNNQDQNEEAP-QPPBQGQZSA-N 490.601 2.329 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@H]1CCCN1CC)[C@@H]1CCS(=O)(=O)C1 1689993036 ULKXSRAKHOGARS-FGZHOGPDSA-N 455.628 2.288 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 1690175587 ZYJBXNFBOHJFDT-WMZOPIPTSA-N 496.680 2.148 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@](C)(O)c1ccccc1Cl 1690190090 KWQOQBBQSRCUOZ-IWMITWMQSA-N 466.007 2.442 30 10 JEEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1690234776 NINOPHIJXHSNQO-QGZVFWFLSA-N 467.412 2.173 30 10 JEEE C=CCCOCCn1c(-c2ccc(OC)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1690503851 QAEJXKYLWBZZRW-IBGZPJMESA-N 454.531 2.019 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1CCOCC1 1690560564 WIBGLIMHKYDTPG-QFIPXVFZSA-N 498.653 2.355 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1c2ccccc2C[C@H]1C 1690622570 SFIMAJRXTTYULO-UYAOXDASSA-N 459.616 2.270 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N(C)C1CCN(Cc2ccccc2)CC1 1690723912 CZSYPSPHBMDCRT-NRFANRHFSA-N 473.643 2.484 30 10 JEEE Cc1nc2ccccc2n1CCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@](F)(C#N)C1 1693369769 GBNHCWDQPUHVRF-BTYIYWSLSA-N 474.566 2.079 30 10 JEEE COc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1CCCN1CCCO[C@H](C)C1 1697617579 CXHMFQRKEPGLPW-WOJBJXKFSA-N 470.574 2.095 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2C[C@H]2CCSC2)c1 1705508640 ZBKHNBSTANABJQ-GOSISDBHSA-N 452.584 2.210 30 10 JEEE C#CCCCCn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@H](CNC(C)=O)C1 1705511294 PCINWTHLMHLPLZ-QGZVFWFLSA-N 463.380 2.191 30 10 JEEE C#CCCCCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1705521036 OLSYHRLRMRNTBP-SFHVURJKSA-N 466.521 2.332 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCCC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1705559899 GSBQZMIGRJFLNC-PKOBYXMFSA-N 491.589 2.052 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCc1ccc(OC)c(OC)c1 1705598707 PHQGOBUSQUCDKP-HXUWFJFHSA-N 470.595 2.293 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(C(=O)N3CCCC3)n2Cc2sccc2C)n1 1705631113 SJCWAWJGSVTMEA-UHFFFAOYSA-N 467.599 2.415 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC2(C(N)=O)CCCC2)CC1 1705633196 LOBHJFHAUZXOOB-GOSISDBHSA-N 454.550 2.358 30 10 JEEE C#CCSCCn1c(-c2ccc(Br)cc2)nnc1N1CCN(C(=O)COC)CC1 1705654672 PURROMIEFRJXDS-UHFFFAOYSA-N 478.416 2.369 30 10 JEEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CCc1cnccn1 1705659459 XBYMLVGUNDNFSY-UHFFFAOYSA-N 460.567 2.027 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccn2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1705704383 SSSPTLSCMQOMOY-PXNSSMCTSA-N 460.604 2.182 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1705707959 VDXPJVAWGZNMRH-VWPQPMDRSA-N 460.623 2.101 30 10 JEEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1705907098 ZSGILDRCZFBXEZ-DEOSSOPVSA-N 455.559 2.242 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CC[C@H](Oc2ccccn2)C1 1705908017 FNLDTOIQGUOADH-KRWDZBQOSA-N 452.490 2.351 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(CC(=O)NC)CC2)cc1 1705911400 HAVZHRVRJUPDHZ-HXUWFJFHSA-N 487.626 2.146 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3ccccc3n2)nnc1N(C)CC(=O)NC(C)(C)C 1705933261 ZQTFDGGJOZJICQ-UHFFFAOYSA-N 470.599 2.445 30 10 JEEE Cc1cc(C)n(CCCn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)Cc2ccc(C#N)cc2)n1 1707838994 FKRMYXLGVGWKGP-SFHVURJKSA-N 470.603 2.300 30 10 JEEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCO[C@H](C)C2)C1 1710350239 GHEBGVGHAGNGIH-YFVAEKQCSA-N 488.614 2.062 30 10 JEEE C[C@@H]1CN(C2CCOCC2)CCN1c1nnc(COc2ccc(C#N)cc2)n1CC(C)(C)O 1712842578 ATLGQJHXPKXJTO-GOSISDBHSA-N 454.575 2.189 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1Cc1ccoc1)[C@H]1CCS(=O)(=O)C1 1722365959 QEUNNZZODKAGEK-INIZCTEOSA-N 478.372 2.314 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@]1(O)CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1722372070 ORHUDFXSZAAOIA-MZLICYQSSA-N 472.611 2.343 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1CC(F)(F)C1 1722420726 KSMZFVGVQTZNBW-UHFFFAOYSA-N 467.542 2.327 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CC1CCN(C(=O)OC)CC1 1722421883 OYMRCKVXAUUWFD-FQEVSTJZSA-N 468.533 2.487 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)Cc1ccccc1OC 1722523213 HCWVDLUKFPGLRN-YLJYHZDGSA-N 463.604 2.263 30 10 JEEE C=C(Cl)Cn1c(N2CCN(CC(=O)N(CC)CC)CC2)nnc1[C@]1(OC(C)C)CCOC1 1722558018 AKXGQKJEQMKKES-QFIPXVFZSA-N 469.030 2.062 30 10 JEEE C=CCC(C)(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1722590563 GFUOHRCTSZPARD-QGZVFWFLSA-N 499.641 2.312 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1c(F)cccc1F)C1CC1 1722651629 WPLNKUROLZMCJA-IBGZPJMESA-N 467.542 2.287 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCN(c2ccc(F)cn2)CC1 1722706812 YTYWUBLXBSTBCR-UHFFFAOYSA-N 465.533 2.328 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@@H]1c1nncn1C 1722726240 ZSOQJPMSLYCMPX-LJQANCHMSA-N 498.613 2.218 30 10 JEEE Cc1nn(C)c(N2CCN(c3nnc(C(C)C)n3Cc3ccc(CS(C)(=O)=O)cc3)CC2)c1C#N 1725861496 HWQYBQZYAZKKBH-UHFFFAOYSA-N 496.641 2.235 30 10 JEEE CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@](C)(O)c1ccco1)[C@@H]1CCS(=O)(=O)C1 1728297391 HZGRKCQWICKVRT-GCJKJVERSA-N 455.540 2.331 30 10 JEEE CS(=O)(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCC2(O)CCC2)C1 1730997284 ASVSQXRKTCXEOD-IBGZPJMESA-N 459.572 2.047 30 10 JEEE C#CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC(NS(C)(=O)=O)CC1 1740590417 LRJJABNCMFYAHC-SFHVURJKSA-N 494.662 2.324 30 10 JEEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CCc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1740617905 YSMSDMJDRDLVCM-RCZVLFRGSA-N 486.638 2.497 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1CCN1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1740620934 IHGHULQGDVYHJA-VQTJNVASSA-N 471.627 2.312 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H](C)Oc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1740625143 DFOGBLLTNGWZEE-VAMGGRTRSA-N 488.610 2.275 30 10 JEEE C#CCN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1740663445 JFPJFJRQXIGMBS-YADARESESA-N 468.606 2.279 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)N2CCCC2)n1CCN1CCN(C)C(C)(C)C1 1740676301 YXBSJNVMOURXGW-UHFFFAOYSA-N 481.620 2.319 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2[C@@H]2C[C@H]2C)CC1 1740706577 ZXBLKGZPSCTYCM-QRQLOZEOSA-N 472.590 2.133 30 10 JEEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1740712166 YYMJZWFVBDIVOK-PMACEKPBSA-N 489.667 2.425 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C(=O)N(C)c2ccccc2)C1 1740717471 SWRQECQPCGWPFJ-RBUKOAKNSA-N 487.651 2.036 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCCCN1CCCCC1 1740731400 AWVXZAZWBQMHPI-ZJSXRUAMSA-N 492.690 2.259 30 10 JEEE C=C(Br)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1740737997 CNQOETDYKJQVJV-HNNXBMFYSA-N 490.318 2.235 30 10 JEEE C=C(C)COCCn1c([C@H]2CCCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1740794528 CHPWETNBFWMJAA-AZUAARDMSA-N 452.563 2.489 30 10 JEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)C1CCCCC1)C1CC1 1740910097 JHBXTACBPMUSKB-KNQAVFIVSA-N 467.636 2.097 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCO[C@@H](c2nccs2)C1 1740953728 PHMBZAYNJHIOJI-GOSISDBHSA-N 470.555 2.299 30 10 JEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCSC2(CCOCC2)C1 1741001749 CKSBWTMBOVGMQQ-MRXNPFEDSA-N 458.675 2.202 30 10 JEEE Cc1cc(C)n(Cc2nnc(N3CCC(C#N)CC3)n2C[C@@H](N2CCOCC2)C(F)(F)F)n1 1742694139 DFQIZOSITXTDGW-GOSISDBHSA-N 466.512 2.143 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1Cc1ccccc1CN1CCC(O)CC1)[C@@H]1CCS(=O)(=O)C1 1748805469 SFFXTMGUYUYTCX-NFBKMPQASA-N 499.681 2.423 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CCCN1CCCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1748819922 URXGFPWKWOZLMV-IFMALSPDSA-N 470.643 2.155 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2CCCc2cnn(C)c2)CC1 1748977761 CAPJKLOTMAMCJZ-UHFFFAOYSA-N 471.407 2.168 30 10 JEEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1749403001 UMMSEZXECMKGRO-MRXNPFEDSA-N 477.553 2.431 30 10 JEEE C=CCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCN(CC(=O)NCC)CC1 1749617894 XWSWJDPILRKQNP-UHFFFAOYSA-N 463.380 2.160 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC2(S(C)(=O)=O)CC2)C1 1749694480 SNFMVFONIPVJFQ-SFHVURJKSA-N 494.017 2.220 30 10 JEEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2Cc3ccccc3C2)CC1 1749744021 DMQUGAHBXADIHJ-SFHVURJKSA-N 490.699 2.097 30 10 JEEE CC(=O)N1CCC(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCNC(=O)C(C)C)CC1 1749809843 BOPWPOBYGBMTDY-UHFFFAOYSA-N 451.575 2.284 30 10 JEEE CC(C)(C)S(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1750517130 GIOHLMYGKOEUJD-IBGZPJMESA-N 470.599 2.483 30 10 JEEE CC(C)N(C)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1751208843 FKSDGSQLHMIHIT-GOSISDBHSA-N 471.631 2.394 30 10 JEEE C#CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1CCCN(CC)S(C)(=O)=O 1760173255 PHSCWCFMSYXPHN-UHFFFAOYSA-N 484.420 2.457 30 10 JEEE C#CCN(c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCOCCCO)[C@@H]1CCS(=O)(=O)C1 1760182059 BCJXGEHXRLDFPV-OAQYLSRUSA-N 474.627 2.268 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1760189892 RAFDVPVPHIEPFT-BJLQDIEVSA-N 472.615 2.203 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1CC1)[C@@H]1CCS(=O)(=O)C1 1760190042 XNVOYQZZXSAMRJ-RTBURBONSA-N 477.631 2.429 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1Cc1cccn(CC)c1=O 1760242587 IRZWNPSZIQWLLF-UHFFFAOYSA-N 462.554 2.463 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 1760313790 QHOYEMMYIJWNEE-KNQAVFIVSA-N 484.576 2.385 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)NC)CC1 1760326342 WDVOMKRXARMOMX-UGKGYDQZSA-N 465.558 2.171 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 1760356909 ZLGAVBQPFHYMOR-APWZRJJASA-N 461.588 2.423 30 10 JEEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1760514843 GYYQBHISDKTWEI-HSZRJFAPSA-N 493.656 2.257 30 10 JEEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1760516593 RDHRERUPMJEGMY-AGILITTLSA-N 493.656 2.111 30 10 JEEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@@H](SC)C1 1760566299 QKGSEDIXFMGMGS-SJORKVTESA-N 475.706 2.252 30 10 JEEE CCCNC(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCC2(O)CCOCC2)C1 1766197827 FFIYWOQRXPAUAB-NRFANRHFSA-N 496.612 2.403 30 10 JEEE CN(CCN1CCOC(C)(C)C1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCCS1(=O)=O 1767379811 AUIPQYUNSBGKCD-NRFANRHFSA-N 486.642 2.331 30 10 JEEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(n2cc(Cl)cn2)CC1 1769366034 HQRXOBZXRAFOBW-UHFFFAOYSA-N 474.978 2.057 30 10 JEEE C=CCNC(=O)[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)c1ccccc1 1861747793 HWXOGVCZBKXBIH-FQEVSTJZSA-N 477.970 2.134 30 10 JEEE COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2C[C@@H](C)O)cc1OC 1862610214 FVWCGEMCSCKYGM-ASSNKEHSSA-N 455.463 2.434 30 10 JEEE COc1ccc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2CCN2CCOCC2)cc1O 1862754393 LAXGCCGXSGHNDC-NRFANRHFSA-N 483.477 2.220 30 10 JEEE CC[C@@H](C)[C@@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O 1869935016 YPALPDGOFJVVHV-KZULUSFZSA-N 454.508 2.004 30 10 JEEE CCCCCCCCC(=O)Nc1nc(N2CCN(CC)CC2)nn1[C@H]1CCS(=O)(=O)C1 1870045194 WCGBFAJMGXTSRD-SFHVURJKSA-N 454.641 2.469 30 10 JEEE C=CCOc1cn(CCCCN2CCCC2)c(CN2CCN(c3ncccn3)CC2)cc1=O 1870387303 YFADCEXUUVQSBE-UHFFFAOYSA-N 452.603 2.401 30 10 JEEE COc1ccc(CCc2nnc(SCC(N)=O)n2/N=C/c2cccc([N+](=O)[O-])c2)cc1OC 1874219281 DLEMMGNOFOSCAH-FSJBWODESA-N 470.511 2.448 30 10 JEEE Cc1nc(-c2ccc(S(=O)(=O)N3CCC(OCC#CCN4CCN(C)CC4)CC3)cc2)co1 1889847125 VGRKLXMHOZVFCA-UHFFFAOYSA-N 472.611 2.071 30 10 JEEE CC1(C)OB(c2cnc(NC(=O)c3ccc(I)c(O)c3)nc2)OC1(C)C 2158583040 QLGCGAAQZQKBNJ-UHFFFAOYSA-N 467.072 2.338 30 10 JEEE CC(C)(C)OC(=O)N[C@@]1(C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)c2)CCS(=O)(=O)C1 2180991744 QOKVAXRDMYLSET-QFIPXVFZSA-N 480.392 2.006 30 10 JEEE CC1(C)OB(c2nc(NS(=O)(=O)CCN3C(=O)c4ccccc4C3=O)ccc2Cl)OC1(C)C 2217491319 BKYQPBVFLRCVLM-UHFFFAOYSA-N 491.762 2.072 30 10 JEEE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCCC#CB1OC(C)(C)C(C)(C)O1 2249992901 MKFVKFSKBITYTF-UHFFFAOYSA-N 474.388 2.253 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CO)CNC(=O)c1cc(Cl)cc(B2OC(C)(C)C(C)(C)O2)c1 2255544236 WEMOKUWCECXXLM-INIZCTEOSA-N 454.760 2.255 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1S(=O)(=O)N[C@@H](C)CNC(=O)OC(C)(C)C 2255795336 FZQIYWQAYONXPR-HNNXBMFYSA-N 454.398 2.486 30 10 JEEE Cn1nc(C(=O)NCC2(NC(=O)OC(C)(C)C)CC2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2255820714 UZIGVWXXPKXKKR-UHFFFAOYSA-N 454.764 2.160 30 10 JEEE CC(C)(C)OC(=O)N[C@]12C[C@@H]1CN(S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)C2 2255947662 CHZWPHVHINUHKE-XCLFUZPHSA-N 470.422 2.335 30 10 JEEE CC1(C)CC(NC(=O)OC(C)(C)C)(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2256669447 PKCFZDONJLKHCY-UHFFFAOYSA-N 452.386 2.281 30 10 JEEE CC(C)(C)OC(=O)NC[C@]1(O)CCCN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)C1 2258472475 HZHILXHPHPYALG-OPAMFIHVSA-N 454.568 2.452 30 10 JEEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(F)(F)C1(O)CN(C(=O)OC(C)(C)C)C1 2260065590 LYOZQRKXTYAOEV-AWEZNQCLSA-N 461.506 2.026 30 10 JEEE CC(C)(C)OC(=O)N1CC2(C[C@H](O)CN2C(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2266993871 NOLGDRFMEZYXKF-AWEZNQCLSA-N 464.393 2.244 30 10 JEEE CCN(C[C@@H](C)NC(=O)OC(C)(C)C)S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2267377953 ISGNOJJJHREPGO-OAHLLOKOSA-N 469.413 2.305 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@](F)(CNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2267521321 QXKCPFXHJNFAOJ-NRFANRHFSA-N 452.336 2.178 30 10 JEEE COC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2267539632 MITKXKMNVVSCNK-AWEZNQCLSA-N 467.397 2.150 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H]1C(=O)Nc1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2268631935 DVEBXYBLHIXXAC-WMLDXEAASA-N 450.316 2.434 30 10 JEEE CN(C)CCN(CCNC(=O)OC(C)(C)C)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2269009768 LBKZQFMXEGXYBJ-UHFFFAOYSA-N 452.380 2.413 30 10 JEEE C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2269692894 MXUDGARFKIGNIF-DYVFJYSZSA-N 452.332 2.015 30 10 JEEE 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)F 2281926367 MSMPKFVDAWULPR-CHWSQXEVSA-N 474.289 2.237 30 10 JEEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)N(C(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)C1 2282034244 FLKVJBYFJVJRLQ-HZPDHXFCSA-N 462.400 2.437 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1CCN(C(=O)OC(C)(C)C)C12CC2 2282043808 PGKFIHNSQJSHJR-HNNXBMFYSA-N 460.384 2.239 30 10 JEEE CC(C)(C)OC(=O)NC1(CNC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)CCOCC1 2282184140 OWXCXLMCFXHRRW-UHFFFAOYSA-N 461.368 2.185 30 10 JEEE C[C@H]1CC[C@H](CNC(=O)C(F)(F)F)N(C(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2282191013 UMQLALOIJLOYOK-UONOGXRCSA-N 455.286 2.300 30 10 JEEE CC(C)(C)OC(=O)N1[C@H](CNC(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)C[C@@H]2OCC[C@@H]21 2282209972 ZTCYWUIYCGBTQH-XIRDDKMYSA-N 462.352 2.476 30 10 JEEE Cn1cc(C(=O)N[C@H]2C[C@@H]3[C@@H](NC(=O)OC(C)(C)C)C[C@H]3C2)c(B2OC(C)(C)C(C)(C)O2)n1 2282575468 CWXVKONFZVAYES-AIANPOQGSA-N 460.384 2.141 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@](O)(CNC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2Cl)C1 2282607148 INKNWDVYOOBUBS-JOCHJYFZSA-N 481.786 2.136 30 10 JEEE CCC1(NC(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)CCN(C(=O)OC(C)(C)C)CC1 2282614495 SHGBFLHJDBMPLA-UHFFFAOYSA-N 463.388 2.024 30 10 JEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CCN(Cc3ccccc3)C(C)(C)C2)n1 2282629675 YWUYFSCIKKKNLA-GOSISDBHSA-N 453.396 2.287 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O 2282666920 LILRCUXQZQZDJG-VQIMIIECSA-N 460.380 2.252 30 10 JEEE COC[C@@H](ONC(=O)OC(C)(C)C)C(=O)N1Cc2cccc(B3OC(C)(C)C(C)(C)O3)c2C1 2283964870 PCQFNQJGMLFEBI-GOSISDBHSA-N 462.352 2.299 30 10 JEEE CN(Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)[C@H](NC(=O)OC(C)(C)C)C1COC1 2284062623 MDVGOKRPQKULOG-LJQANCHMSA-N 460.380 2.484 30 10 JEEE COCCCN1C(=O)C(=Cc2c(C)c(C#N)c(=O)n(C)c2N2C[C@H](C)O[C@@H](C)C2)SC1=S 2314425896 AJHNPQJNSVYZCG-KBPBESRZSA-N 476.624 2.417 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2C[C@@H]3[C@H]2CCN3C(=O)OC(C)(C)C)n1C 2362338441 FIFLGJPYRHKYQN-ARFHVFGLSA-N 460.384 2.155 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C(F)F 2362466651 ZAIYSDHIXRLFKZ-SJORKVTESA-N 460.334 2.215 30 10 JEEE COCC(CNC(=O)OC(C)(C)C)(COC)Oc1cc(B2OC(C)(C)C(C)(C)O2)c(F)cn1 2371996089 KBUVFKQBTIHVIZ-UHFFFAOYSA-N 470.347 2.455 30 10 JEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)/C=C\c2ccc3c(c2)OCCCO3)CC1 97674671 FPNOJGVGQLIBJD-CLFYSBASSA-N 453.520 2.266 30 10 JEEE O=C(O)[C@H](CCS[C@@H]1CS(=O)(=O)C[C@H]1O)/N=C(/O)OCC1c2ccccc2-c2ccccc21 328580713 MIMYRZURYDUVRA-PWRODBHTSA-N 491.587 2.464 30 10 JEEE C=CCc1cc([N+](=O)[O-])ccc1OCC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 513570669 CWSSKJVVLMUULF-QFIPXVFZSA-N 467.478 2.213 30 10 JEEE CSCCCN/C(S)=C(/C(O)=C1C=CC(=NS(C)(=O)=O)C=C1)[n+]1cccc(O)c1 728556198 CEZFHPHOVVAUEA-UHFFFAOYSA-O 454.619 2.417 30 10 JEEE COC(=O)CCCn1c(=C(C#N)C(=O)CC(C)(C)C)sc(=Cc2cnn3ccccc23)c1=O 729670283 QCKSWIXHVACHLN-UHFFFAOYSA-N 466.563 2.019 30 10 JEEE C#CC[C@@H](O)CNC(=O)[C@@H](CCC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 757474012 GCRACTBGVCZDKP-OPAMFIHVSA-N 450.491 2.259 30 10 JEEE C=C(Cl)C[C@H](NC(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1)C(=O)OCC 1132415465 VSGPXHMRVNSXAW-INIZCTEOSA-N 453.948 2.038 30 10 JEEE C=CCn1c(S)nc2cc(C(=O)NCc3ccccc3CN3CC[C@@H](O)C3)ccc2c1=O 1154063349 RWQZMBSNBDVTPW-LJQANCHMSA-N 450.564 2.368 30 10 JEEE C#CCn1ccc(CN(CCOC)C(=O)c2cc3n(n2)C[C@H](C)N(C(=O)OC(C)(C)C)C3)n1 1156617564 BHJSRSVFALCFIJ-KRWDZBQOSA-N 456.547 2.141 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1ccc(-n2cncn2)nc1 1286419235 OMVXUMYYTMEPAP-UHFFFAOYSA-N 499.966 2.348 30 10 JEEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1CC[C@H](C(F)F)N1CCOCC1 1286431329 VWCPGEUHEQXZIM-OAQYLSRUSA-N 481.551 2.336 30 10 JEEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cccc(O)c1 1286462160 DQRMDGNPFMJOPX-UHFFFAOYSA-N 454.556 2.078 30 10 JEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@]2(N(C)C)CCC[C@H](C)C2)CC1 1286483985 BVPYHVJNGZHYJB-NBGIEHNGSA-N 452.651 2.405 30 10 JEEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@H]2CCCCS2(=O)=O)CC1 1286484314 IFWRNLMDJGRERK-QFIPXVFZSA-N 471.627 2.196 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2C#N)CC1 1286537535 FEEDGZSLPKWYMA-INIZCTEOSA-N 456.348 2.336 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(Nc2cccnn2)CC1 1286546648 KRQNKTFPFDRRIE-FXAWDEMLSA-N 454.579 2.268 30 10 JEEE C=CCN(c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@]1(O)CCSC1)C1CC1 1286734548 RQZWUHKPVXDMRY-OAQYLSRUSA-N 463.629 2.218 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(F)(F)F 1286763031 RQPTXUDGIDXIQT-QGZVFWFLSA-N 473.521 2.408 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H](C)O[C@H](c2ccccc2)C1 1286780098 BMIXLWKFMBYEMC-XLIONFOSSA-N 454.575 2.465 30 10 JEEE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2ccc(C#N)o2)C1 1286845335 MLQKNOGBUDVASF-QGZVFWFLSA-N 482.566 2.166 30 10 JEEE CCN(c1nnc(COc2ccc(C#N)cc2)n1CCc1ccncc1)[C@H]1CCS(=O)(=O)C1 1295249915 HRSYORSNMFLPPS-FQEVSTJZSA-N 466.567 2.380 30 10 JEEE CCN1CCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1296059505 HNAYEEVCFMQATH-DYESRHJHSA-N 471.631 2.413 30 10 JEEE CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CN(CC(C)C)CCO1 1297653184 GPQDIDUXVKEMEU-DENIHFKCSA-N 488.658 2.433 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCCS(=O)(=O)Cc1ccccc1 1300303552 JNBBISXEBJFTOE-QGZVFWFLSA-N 469.567 2.469 30 10 JEEE C#CCCCn1c(Cc2c(F)cccc2F)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1300412164 SJBGTJFWSIQDNX-UHFFFAOYSA-N 451.543 2.421 30 10 JEEE C#CCN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC(C)C)[C@H]1CCS(=O)(=O)C1 1300479690 RKSOYUSQMILMLV-SFHVURJKSA-N 463.991 2.144 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1Cc1ccnc(OCC2CC2)c1)[C@@H]1CCS(=O)(=O)C1 1300495222 FSMRAZYVPPICCV-HXUWFJFHSA-N 457.600 2.335 30 10 JEEE C#CCN(CC#CC)c1nnc(Cc2ccsc2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1300587183 IHKMFQSTCDWAAE-NRFANRHFSA-N 452.628 2.336 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)ccc3Br)n2CCNC(=O)C(C)C)CC1 1300688156 BRIXQHADVXTWDH-UHFFFAOYSA-N 489.418 2.244 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CC2(COC)CCOCC2)CC1 1300726474 MGYHKBISLQCDKX-UHFFFAOYSA-N 483.588 2.417 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 1300988267 AHPOPIKDLBUCLF-KXBFYZLASA-N 480.553 2.303 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@](C)(O)C2CCCCC2)CC1 1301085924 CIHUHWMHBBZRHS-SIKLNZKXSA-N 467.636 2.099 30 10 JEEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(c2nccc(OC)n2)CC1 1301206480 CAZPXMSSYUFBOY-UHFFFAOYSA-N 483.598 2.440 30 10 JEEE C=CCn1c(C(=O)NC(CC)CC)nnc1N1CCC(CC(=O)N2CCN(CC)CC2)CC1 1301429097 YFRPNTPSRAKLNS-UHFFFAOYSA-N 459.639 2.153 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)NC(CC)CC)nnc2N2CCN3C(=O)N(C)C[C@@H]3C2)cc1 1301520884 RYHVARKMASBZHF-HXUWFJFHSA-N 481.601 2.366 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCc2ccc(OC)cc2)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1301585865 GCZTWGUSFCBQOE-PZJWPPBQSA-N 473.643 2.346 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)c2ccco2)CC1 1301587407 OIHMFKPXXIIVTK-UHFFFAOYSA-N 487.557 2.164 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 1312467657 AMEIHHISXULSLJ-WDSOQIARSA-N 452.515 2.112 30 10 JEEE CCN(CC)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)OC)CC1 1313647802 HKPMBVSWTQMLDG-UHFFFAOYSA-N 453.591 2.232 30 10 JEEE COC(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(S(C)(=O)=O)CCCC2)C1 1315092753 HMIMFSDMKYWVGF-GOSISDBHSA-N 457.556 2.173 30 10 JEEE COC[C@@H](Cn1c(Cc2cccnc2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1)OC 1315801762 DRVGNYPLSFKQJC-HXUWFJFHSA-N 465.533 2.263 30 10 JEEE C#CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@](C)(C(N)=O)C1 1358913806 YSOMBWKOKCKBCY-SBUREZEXSA-N 460.579 2.092 30 10 JEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(c2ccc(F)cn2)CC1 1358922993 YZKIPFMBDUAWKD-UHFFFAOYSA-N 497.600 2.470 30 10 JEEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN([C@@H](C)c2nc(CC)no2)CC1 1358936942 CIMKQKAQDJLCPM-BJLQDIEVSA-N 457.579 2.244 30 10 JEEE C#CCN(c1nnc(-c2ccc(OCC)c(OC)c2)n1CCC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1358960222 ZTHNKBURLQSINJ-GOSISDBHSA-N 476.599 2.140 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(OC)ccc2Br)n1Cc1cnnn1C 1358987728 QEIFKCMLKATRHL-UHFFFAOYSA-N 454.332 2.356 30 10 JEEE C#CCN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1359004267 PWOYNRMFPOACBP-IBGZPJMESA-N 467.389 2.025 30 10 JEEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@]1(N(C)C)CCSC1 1359006900 NAYURFCDZCRBFO-OAQYLSRUSA-N 461.661 2.135 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCCSC)CC1 1359044165 XPCMHGNWDKQQAD-UHFFFAOYSA-N 465.583 2.313 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@H]2CCN(CC)C2)CC1 1359047793 UAXGDIYFHPPOFU-FQEVSTJZSA-N 480.613 2.173 30 10 JEEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1359057723 GXXPOMAVSPRNJX-HXUWFJFHSA-N 488.564 2.280 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1(C(N)=O)CCOCC1 1359111973 UPWFURQFFHECKG-UHFFFAOYSA-N 479.585 2.359 30 10 JEEE C=C(C)Cn1c(CC)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)C2(CCS(=O)(=O)CC2)C1 1359122299 KZVDWBRPZLSVAA-MRXNPFEDSA-N 453.609 2.325 30 10 JEEE C=C(Cn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1)c1ccccc1 1359136992 AXDAOVFGFJAYLU-REWPJTCUSA-N 479.629 2.119 30 10 JEEE C=C(Cl)Cn1c(COc2ccc(OC)cc2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1359156062 UBCMZBHRIMLIQV-QFIPXVFZSA-N 474.949 2.433 30 10 JEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](CC(C)C)NC(=O)OCC)CC1 1359159391 VITSAOJBEMTWEP-DLBZAZTESA-N 456.613 2.206 30 10 JEEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(=O)NC1CCCCC1 1359233367 BPLQUPPXIHSOAH-UHFFFAOYSA-N 460.604 2.267 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCCO[C@H](C)C1 1359327123 SNCWAHMRCLBWTG-GOSISDBHSA-N 461.588 2.363 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2ccc(F)cc2Cl)C1 1359332461 YGKORRCKKZPVBW-ROUUACIJSA-N 497.980 2.200 30 10 JEEE CC1(C)COCCN1CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CCC(N)=O)CC1 1360832170 GQLIPGLMAMRMHX-UHFFFAOYSA-N 495.628 2.321 30 10 JEEE C#CCn1ccc(CN(CCOC)C(=O)c2ccc(I)cc2NC)n1 1448863867 XPXCDNYCTLDWKG-UHFFFAOYSA-N 452.296 2.451 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1[C@H]1C[C@H](c2ccccc2F)C1 1507537436 IIRBEQNONXZARB-BOSXTWCSSA-N 461.563 2.327 30 10 JEEE C#CCN(C)c1nnc(COc2ccccc2OC)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1507619771 ZOTYBILLDJWPED-SFHVURJKSA-N 462.558 2.436 30 10 JEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1cc(C(CC)CC)no1)[C@H]1CCS(=O)(=O)C1 1507622900 OLYMIJSZUUABAY-SFHVURJKSA-N 488.614 2.081 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@](C)(O)CCC)[C@H]1CCS(=O)(=O)C1 1507638089 DITLBMQBFSBNNH-PGRDOPGGSA-N 464.563 2.174 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@@H]1CCN(CC)C1)[C@@H]1CCS(=O)(=O)C1 1507639102 JLRXEVOEODNERH-NHCUHLMSSA-N 471.627 2.134 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2Cc2cc(C)on2)CC1 1507735133 LGIHUCFVWSSPOK-UHFFFAOYSA-N 464.526 2.273 30 10 JEEE C#CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1507745235 UZSNGENXCQYYFG-SFHVURJKSA-N 477.656 2.428 30 10 JEEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1507913795 BVUZFLCUTNQXPG-ROUUACIJSA-N 468.668 2.180 30 10 JEEE C=CCCOCCn1c(Cc2ccccc2F)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1507964789 KRTKVVUFSDVCPU-OAQYLSRUSA-N 470.549 2.367 30 10 JEEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2nc(C)cc(OCC)n2)CC1 1508062064 JDRYAIGCMLJHIG-UHFFFAOYSA-N 468.587 2.279 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCO[C@@H](CCC)C1 1508145928 RACOPKUZPDPUPR-FXAWDEMLSA-N 462.572 2.397 30 10 JEEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCN(C)C2CCCCC2)CCO1 1517534106 CDFVMOBMCRLMEP-QFIPXVFZSA-N 465.602 2.423 30 10 JEEE CS(=O)(=O)c1cccc(-c2nnc(N(CCC#N)CC3CC3)n2C[C@]2(O)CCSC2)c1 1519506263 GOJOVNBYILKAPB-OAQYLSRUSA-N 461.613 2.347 30 10 JEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 1539072659 TXWGVEUFZTYTOC-KZNAEPCWSA-N 465.620 2.333 30 10 JEEE C#CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(CCOC)C(=O)C1 1539120727 ZCANFLASHWHEQP-IBGZPJMESA-N 474.606 2.101 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccccc1Cn1cccn1)[C@H]1CCS(=O)(=O)C1 1539202163 GLVGYIDLZQEGHF-NRFANRHFSA-N 466.611 2.495 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1Cc1ccc(OCC)cc1)[C@@H]1CCS(=O)(=O)C1 1539211493 MSDLIULGPULNLC-LJQANCHMSA-N 453.568 2.357 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@H]1CCN(CC)C1)[C@H]1CCS(=O)(=O)C1 1539220900 WHPITLBKWYBWBA-UNMCSNQZSA-N 455.628 2.146 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCN1C[C@H](C)O[C@H](C)C1 1539362335 XQXBQNUSUJTATL-KDURUIRLSA-N 463.586 2.151 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H]1CCCS(=O)(=O)C1 1539399973 VYCKMAPWOGMDDP-INIZCTEOSA-N 468.526 2.457 30 10 JEEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1539577720 NRZWSTKFIWBNJL-UHFFFAOYSA-N 475.347 2.057 30 10 JEEE C=C(Br)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](C#N)C1 1539600646 SWCQOFKTLJVLRM-HUUCEWRRSA-N 483.367 2.224 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 1540867141 MBQNGGHHCYDFSX-FUHWJXTLSA-N 498.584 2.368 30 10 JEEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(C(=O)NCCC(N)=O)ccc1F 1584874763 XYXKJHQHRCCGHR-HNNXBMFYSA-N 456.902 2.405 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)cc1C(F)(F)F 1587641062 WXKJFTFMDUMUAH-GUYCJALGSA-N 489.495 2.275 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CC1CC(C)(C)C1)[C@@H]1CCS(=O)(=O)C1 1588034083 AWGKLVHIAQVNDN-XXBNENTESA-N 464.632 2.382 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCCSC)[C@@H]1CCS(=O)(=O)C1 1588035585 VRUBXYUCBNUXAL-CQSZACIVSA-N 472.434 2.416 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1CC1(COC)CCC1)[C@H]1CCS(=O)(=O)C1 1588035809 XXCXYXPDUOCCFJ-IBGZPJMESA-N 488.610 2.406 30 10 JEEE C#CCN(c1nnc(-c2ccccc2F)n1Cc1ccc(N(C)C)nc1)[C@@H]1CCS(=O)(=O)C1 1588044749 BWHWIZUVLXOFHY-GOSISDBHSA-N 468.558 2.220 30 10 JEEE C#CCN(c1nnc(COc2ccccc2CC)n1C[C@@H]1CC(F)(F)CO1)[C@@H]1CCS(=O)(=O)C1 1588069609 REUKDZGQUDGVQX-MOPGFXCFSA-N 494.564 2.470 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1CCc2nccn2C1 1588079040 QISPMFQDBOATRR-LJQANCHMSA-N 461.957 2.393 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2C)nnc1N1CCN(CC(=O)NCCOC)CC1 1589515785 RZQHDFGCXUYRTH-URXFXBBRSA-N 482.629 2.119 30 10 JEEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1593636366 JTBKFMHSNMQWEE-MOPGFXCFSA-N 457.579 2.339 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCOc2ccccc2)CC1 1594241436 QIQJZTQURFPBCN-NRFANRHFSA-N 475.615 2.483 30 10 JEEE CC(C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1606973922 CZBVBATUNJBUJE-INIZCTEOSA-N 463.583 2.272 30 10 JEEE Cc1ccc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)cn1 1612086182 CUXSHWRQMYBUTQ-NRFANRHFSA-N 466.567 2.494 30 10 JEEE COc1cc(OC)c2c(c1Cl)O[C@@]1(C(=O)/C(=C\NCCSCCO)C(=O)C[C@@H]1C)C2=O 1615248277 HJSRQBIRCXEAAF-VPIAWFGTSA-N 469.943 2.048 30 10 JEEE CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)CCCO2)c1 1635343251 OYIUDIFTASDVGH-SFHVURJKSA-N 450.557 2.239 30 10 JEEE COc1ncc(NC(=O)c2sccc2S(=O)(=O)N2CCCC[C@H]2CCO)cc1C#N 1651637638 FSWKVJFPZXCTIX-HNNXBMFYSA-N 450.542 2.201 30 10 JEEE C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(Oc3ccc(SC)cc3)cc2)CC1 1669828456 BIKQZTIHKKLMQI-UHFFFAOYSA-N 459.593 2.257 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2CC(C)(C)OCC)c1 1689873542 MXWXLYGCROREAR-UHFFFAOYSA-N 452.559 2.272 30 10 JEEE C#CCN(c1nnc(-c2c[nH]c3ccccc23)n1CCC(=O)N[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1689988402 OEWQIFQECNHFCR-QZTJIDSGSA-N 482.610 2.358 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(OCC)cc3)n2C[C@]2(OC)CCOC2)CC1 1690112396 XFJQSHPXVJEMNW-CJFMBICVSA-N 469.586 2.378 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2CC2=CCN(C(=O)OC(C)(C)C)CC2)CC1 1690134846 HZJLSCQYAMJIRY-HXUWFJFHSA-N 456.591 2.452 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC)n2Cc2c(Cl)c(C(F)(F)F)nn2C)CC1 1690148819 VYTMZNBBPCUWFA-UHFFFAOYSA-N 457.888 2.260 30 10 JEEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1690163890 VCIIVLCYWSGFTN-UHFFFAOYSA-N 483.001 2.180 30 10 JEEE C#CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H]1CCOC1 1690174684 ICBCACZJUVTXLS-IRXDYDNUSA-N 451.593 2.178 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(OC)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1690252143 AHAXNVLJJGHGDE-KWOQKUFVSA-N 485.585 2.188 30 10 JEEE C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1690273367 SUHLNSIJYPMZQA-MRXNPFEDSA-N 457.535 2.231 30 10 JEEE C=C(C)Cn1c(CSc2ccc(C)cc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1690296728 JOHKZMPVDOAEHA-UHFFFAOYSA-N 454.600 2.382 30 10 JEEE C=C1CCN(c2nnc(-c3cc(Br)cn3C)n2CCN2CCN(C(C)=O)CC2)CC1 1690366019 NKXYGSCPLBRJIL-UHFFFAOYSA-N 476.423 2.367 30 10 JEEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 1690464609 GXUHSKVKPRDUHP-UYAOXDASSA-N 499.703 2.367 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCCN(C(=O)c2cccc(Cl)c2)CC1 1690670640 GHARUCZEVPYQNP-SFHVURJKSA-N 472.977 2.090 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 1690670745 IGKBEEFTRYZADL-CABCVRRESA-N 453.469 2.141 30 10 JEEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(=O)c2ccsc2)CC1 1690672193 KZWWBVVQRFULJE-UHFFFAOYSA-N 486.548 2.473 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCc2ccc(OC)cc2)nnc1N1CCN2CCCC[C@@H]2C1 1690726457 ANPQEMJPTRGDAJ-OAQYLSRUSA-N 473.643 2.347 30 10 JEEE CCN(CCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)[C@@H](C)CC#N)S(C)(=O)=O 1695738322 GGOYIEFWHHYARD-INIZCTEOSA-N 462.576 2.126 30 10 JEEE C#CCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCO[C@H](C(=O)NC)C1 1705526702 OIBRBODNJFPGGU-KRWDZBQOSA-N 462.348 2.081 30 10 JEEE C#CCN(c1nnc(-c2cccc(Br)c2)n1C[C@@H](F)COC)[C@@H]1CCS(=O)(=O)C1 1705561980 WOQJOMNNHSPNJI-IAGOWNOFSA-N 485.379 2.319 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1CC(C)(C)CN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1705564227 MRXMGSVHUNMSPH-LJQANCHMSA-N 458.632 2.032 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1nccc(C(F)F)n1 1705593163 ICQVTVAUBFNIBF-UHFFFAOYSA-N 460.452 2.160 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCCn2cc(CO)nn2)CC1 1705633075 INWQCXMEAUPFFO-SFHVURJKSA-N 484.992 2.001 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCc2ccc(OC)c(OC)c2)CC1 1705648164 PIYKXUWWZDVVSF-OAQYLSRUSA-N 481.597 2.398 30 10 JEEE C#CCSCCn1c(CCc2ccc(OC)cc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1705663433 HRHHFEFRLOQUDK-UHFFFAOYSA-N 464.595 2.095 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)c2c(C)noc2C)CC1 1705781643 FGCMWAQUFAKKEE-KXBFYZLASA-N 478.619 2.422 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCCS(=O)(=O)C1 1705861071 SLYLMUBUHSRNDX-NRFANRHFSA-N 482.610 2.290 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C(=O)c2ccc(F)cc2)CC1 1705894885 NNSFPMWHFPVGSV-UHFFFAOYSA-N 491.527 2.466 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN([C@H](C)c2cccc(OC)c2)CC1 1705903628 ZBJODFCWXXLZFK-CTNGQTDRSA-N 468.602 2.366 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC(C)(C)OC(C)(C)C1 1705904316 LYAGNMXXEJVXNQ-KRWDZBQOSA-N 492.621 2.283 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1705905158 MAXJUCNCGBAINT-HSZRJFAPSA-N 458.994 2.126 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H]1[C@H]1CCCO1 1705931682 XOZQXMDAIWIABF-WOJBJXKFSA-N 494.639 2.097 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@H](C)O[C@H](COC)C1 1705933712 PXFCIBFYAWLUJY-RDJZCZTQSA-N 485.006 2.448 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(Cc2cscn2)CC1 1705935351 OMZRNOZSAXPGKO-UHFFFAOYSA-N 452.650 2.246 30 10 JEEE N#Cc1ccccc1N1CCN(c2nnc(Cc3cccnc3)n2CC(=O)NCC(F)(F)F)CC1 1712881735 GYTRDWBLHBFNST-UHFFFAOYSA-N 484.486 2.141 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCC(=O)N(CC)CC 1722295492 WILYMTTZAZLPKR-QGZVFWFLSA-N 459.620 2.345 30 10 JEEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(=O)N(C)C2CCCCC2)CC1 1722321394 DUNVAZAFNFOOHE-UHFFFAOYSA-N 492.628 2.252 30 10 JEEE C#CCCCn1c(Cc2c(F)cccc2F)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1722336440 KZVBGXGQDRJHRA-UHFFFAOYSA-N 451.543 2.421 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H](c1ccsc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1722362357 SVRGYADAWVMFHL-MJGOQNOKSA-N 458.613 2.264 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@@H]1CCC[C@@H]1OC)[C@H]1CCS(=O)(=O)C1 1722363490 ULOUPURAWSMKMW-BJLQDIEVSA-N 458.584 2.396 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccccc1OC(F)F)[C@H]1CCS(=O)(=O)C1 1722365202 CUPWZRNVKDPGEV-SJORKVTESA-N 466.510 2.058 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1Cc1ncccc1C)[C@H]1CCS(=O)(=O)C1 1722366864 SCMSJNQRHHVTTO-IBGZPJMESA-N 453.543 2.386 30 10 JEEE C#CCN(c1nnc(CCOc2ccccc2)n1C[C@]1(O)CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1722371840 MCPBEOIICCHBSC-NBGIEHNGSA-N 486.638 2.468 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@H]1CCOC[C@H]1OC 1722375644 RIIKGBZUKYYUKB-LAUBAEHRSA-N 454.527 2.095 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2cc(COC(C)(C)C)on2)CC1 1722432832 GMPCKXCOULIVHD-VWLOTQADSA-N 486.617 2.425 30 10 JEEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CCN(CCC)C(=O)OC(C)(C)C)CC1 1722437843 JLOOSYGGMAXWSB-UHFFFAOYSA-N 454.579 2.137 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2CCN2CCC[C@H]2C)CC1 1722442915 IFKYSTKSYZNZGJ-LJQANCHMSA-N 450.587 2.404 30 10 JEEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1722463332 YGLXYOFMQYIORM-IBGZPJMESA-N 457.629 2.411 30 10 JEEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2OC)CC1 1722483106 FXMIWHNYOLKQCQ-OAHLLOKOSA-N 461.364 2.473 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1722660540 XYFMZODSJKUPJA-QGZVFWFLSA-N 473.578 2.292 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C(=O)OC)CC1 1722691549 RGLASSZEWYCKET-GOSISDBHSA-N 456.547 2.226 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC(CN(C)C(C)C)CC1 1722728876 ZJJRUWFLVSZISG-FQEVSTJZSA-N 453.653 2.330 30 10 JEEE N#C[C@]1(F)CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC2(O)CCS(=O)(=O)CC2)C1 1731179214 BCHISQHAZSLNOE-GOSISDBHSA-N 471.917 2.119 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC1([S@@](C)=O)CC1 1740561216 YXDBAMALFGPYSK-QTYPKTMWSA-N 454.644 2.012 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2C[C@@H](C(C)C)N2CCOCC2)c1 1740564828 YXOFUBRZSJBXQX-GGAORHGYSA-N 480.613 2.195 30 10 JEEE C#CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCO[C@H](COC)C1 1740589274 UDMREIUIHMFWHS-SFHVURJKSA-N 450.543 2.330 30 10 JEEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCCN(c2nccc(OCC)n2)CC1 1740595283 QCMNVLZMBWDCMJ-UHFFFAOYSA-N 463.590 2.459 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2csc(C(C)C)n2)CC1 1740706699 ZQZSKHYKATZTQH-GOSISDBHSA-N 469.615 2.018 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(OC)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1740755989 MWYMVSVOMNIMHB-XHYAQGIWSA-N 456.543 2.295 30 10 JEEE C=C(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(N(C)C(C)=O)CC1)c1ccccc1 1740796525 BLECWGFGLJPNMI-QGZVFWFLSA-N 460.604 2.049 30 10 JEEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1740867299 DVBXQJPZMNUDOG-UHFFFAOYSA-N 472.615 2.132 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@@H](C)[C@@H](O)C1 1740956607 OQCLWDGXQXDTCJ-WBMJQRKESA-N 452.328 2.356 30 10 JEEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 1740995317 HVEOTSHOAMUUMC-UHFFFAOYSA-N 456.616 2.227 30 10 JEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 1748752041 QWIPAIZOEGZBLD-INIZCTEOSA-N 493.992 2.349 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CC1(c2ccccn2)CCC1)[C@H]1CCS(=O)(=O)C1 1748802644 QRZWYAJAIGPFLK-FQEVSTJZSA-N 498.653 2.340 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@H](C)c1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 1748811532 IFONGJDLRJHHHP-GHTZIAJQSA-N 452.584 2.417 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1ccc(OC)c(F)c1)[C@H]1CCS(=O)(=O)C1 1748816062 WLNOYCIZVXIQTD-PXNSSMCTSA-N 462.547 2.342 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1=CCCOC1 1748868854 KUUZUISDYCGKRZ-UHFFFAOYSA-N 452.584 2.356 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@](C)(O)CCOC 1748887179 WTBMVGAJRRIZMO-AREMUKBSSA-N 476.581 2.486 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCNC(=O)c2cccs2)CC1 1748979606 GTXQYONCUQUKNK-UHFFFAOYSA-N 480.594 2.209 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC(=O)NCC(F)F 1749051611 JYDAVLOSAYQBID-OAQYLSRUSA-N 464.904 2.235 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1749118477 GQAANSJHGZLISU-MKXGPGLRSA-N 496.678 2.001 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C2CCC2)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 1749127396 LKBRBKBIIQICJL-SFTDATJTSA-N 481.663 2.404 30 10 JEEE C=C(C)Cn1c([C@@H]2CCOC2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)C2(CCS(=O)(=O)CC2)C1 1749193446 JKHPWCTZUOKWTO-QZTJIDSGSA-N 495.646 2.266 30 10 JEEE C=C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCc2ccc(S(N)(=O)=O)cc2)CC1 1749292644 TUEHIJBAXHXZCU-QHCPKHFHSA-N 475.615 2.365 30 10 JEEE C=CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1749411838 HAVRAGDBANLKOE-QGZVFWFLSA-N 451.980 2.451 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1749666637 OUOJKCIUPBNFFG-MOPGFXCFSA-N 492.628 2.457 30 10 JEEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN(CC(C)C)CC1 1749670517 UUXYONJCGILHBG-UHFFFAOYSA-N 489.665 2.473 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCO[C@@H](c2ccc(F)c(F)c2)C1 1749730718 NXTXOMHLULEVAC-LJQANCHMSA-N 476.509 2.192 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1cccc(OCCN(C)C)c1)[C@@H]1CCS(=O)(=O)C1 1760183533 QSXFHLAMCMYCMU-HXUWFJFHSA-N 473.643 2.191 30 10 JEEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1C[C@](C)(O)CCC(C)C)[C@H]1CCS(=O)(=O)C1 1760190308 PBVCOKSXJCCXFQ-SQJMNOBHSA-N 498.653 2.331 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)CC1 1760257289 SVYCLUGPHYPUNU-OALUTQOASA-N 464.611 2.013 30 10 JEEE C#CCN1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@@](C)(O)C2CC2)CC1 1760259050 GDKIJUBTOVGQQT-RUZDIDTESA-N 472.634 2.309 30 10 JEEE C#CCN1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CCSCC=C)CC1 1760259509 CVNRJCGCQXETCD-UHFFFAOYSA-N 463.611 2.349 30 10 JEEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCc2ccc(Br)cc2)CC1 1760261747 WEODBJOCIRHAQW-UHFFFAOYSA-N 471.403 2.161 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(C(=O)N(CC)CC)cc2)CC1 1760263543 GBFRXBQYIHZTLN-ZEQRLZLVSA-N 494.640 2.288 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCc2ccc(OC)c(F)c2)CC1 1760269490 JQTONLAFAPEGGW-LJQANCHMSA-N 455.534 2.138 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCN(C)c2ccccc2F)CC1 1760389900 WMXVQRHTQRFUHV-NRFANRHFSA-N 492.621 2.433 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1760515301 CPYCJJMYMASZDH-OALUTQOASA-N 472.565 2.160 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](C)Oc2ccc(OC)cc2)C1 1760541669 GFIGRVSMNVXJFB-BBTUJRGHSA-N 476.599 2.438 30 10 JEEE CCN1CCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1765435714 ACZGHVGNRDAAPW-PZJWPPBQSA-N 471.631 2.067 30 10 JEEE CCS(=O)(=O)N(C)CCCn1c(CSc2ccc(C)cc2)nnc1N1CCO[C@H](C#N)C1 1768272791 FBFMWDRPUFDJER-GOSISDBHSA-N 478.644 2.279 30 10 JEEE COc1cc(OC)cc(-n2cc(/C=N\NC(N)=S)c(-c3ccc4c(c3)N(C)C(=O)CO4)n2)c1 1857807539 NZMRRQCSNOCZSN-VROXFSQNSA-N 466.523 2.079 30 10 JEEE CCOc1ccc(-n2nnc(C#N)c2NC(=O)CN2C(=O)c3ccccc3C2=O)cc1OCC 1870144000 KFWCPKGNGFTNKY-UHFFFAOYSA-N 460.450 2.171 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCCCO)cn1C[C@@H](O)c1ccc(Cl)cc1 1870358628 FSHLVRVOJCTRJP-HSZRJFAPSA-N 490.000 2.287 30 10 JEEE C=CCN(CC=C)c1nc(=NCCCOC(C)C)nc(Nc2ccc(S(N)(=O)=O)cc2)[nH]1 1871509421 BHIPUWGGCQTFNI-UHFFFAOYSA-N 461.592 2.090 30 10 JEEE C=CCn1c(C(=O)Nc2ccc(CC)c([N+](=O)[O-])c2)cc2c(N3CCN(CCO)CC3)ncnc21 1873661062 HEAUYSUBOXUIKL-UHFFFAOYSA-N 479.541 2.455 30 10 JEEE C#CC1(NC(=O)c2cc(I)cc(I)c2O)CC1 2249995812 XFYIVWAZJZJXCF-UHFFFAOYSA-N 453.017 2.497 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CC[C@H]1NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2255751125 VKNQUYHEPVUOQR-DLBZAZTESA-N 452.382 2.320 30 10 JEEE CC1(C)C[C@@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)N(C(=O)OC(C)(C)C)C1 2256636196 KHYUQQHIRMFDNO-LBPRGKRZSA-N 452.386 2.233 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)CC1 2256641091 XJKSKGHSHGCFTK-UHFFFAOYSA-N 452.386 2.205 30 10 JEEE CCO[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2267158075 GCMOPKVCCJMUQY-XPKDYRNWSA-N 467.397 2.243 30 10 JEEE CC(C)(C)OC(=O)NC[C@@]1(O)CCCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)C1 2267552120 QEBUQXJFVHTFQJ-QFIPXVFZSA-N 450.341 2.071 30 10 JEEE CC(C)(C)OC(=O)N[C@@]1(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C[C@H]2CC[C@H]1C2 2268778667 SIHYTTDGBQFOLG-BYVOGVQKSA-N 464.397 2.281 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)C2(B3OC(C)(C)C(C)(C)O3)CCC2)[C@@H]2CS(=O)(=O)C[C@@H]21 2281801073 PZARFJDFXPIZDU-CVEARBPZSA-N 484.424 2.248 30 10 JEEE Cn1ncc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C3(CCC3)C2)c1B1OC(C)(C)C(C)(C)O1 2281815518 ROOMZFAUAQGMEF-HNNXBMFYSA-N 460.384 2.381 30 10 JEEE Cn1ncc(C(=O)NC[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2(C)C)c1B1OC(C)(C)C(C)(C)O1 2281832697 QUMNNIFYOGGOIM-ZBFHGGJFSA-N 462.400 2.389 30 10 JEEE Cn1cc(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 2282032646 IQKOQOKUNDNLEJ-YQQAZPJKSA-N 460.384 2.237 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](O)CN1C(=O)c1c(F)cccc1B1OC(C)(C)C(C)(C)O1 2282474849 GVQOAIQTDBEGHF-HUUCEWRRSA-N 464.343 2.225 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)CC1(C)C 2282649835 DYUAVLLCGJVSNY-OAHLLOKOSA-N 460.384 2.399 30 10 JEEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCCN(C(=O)OC(C)(C)C)C1(C)C 2282684836 WSSUSBMTBZYLNR-AWEZNQCLSA-N 463.388 2.022 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@@H]2[C@H](NS(=O)(=O)c3cncc(B4OC(C)(C)C(C)(C)O4)c3)[C@@H]21 2282830207 QKFLCXUJMFSUPA-FGTMMUONSA-N 479.408 2.057 30 10 JEEE Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(C)CC1(O)CN(C(=O)OC(C)(C)C)C1 2287302208 GREFDCLYBWZFCV-UHFFFAOYSA-N 460.380 2.348 30 10 JEEE Cn1nc(C(=O)N2CC(F)(F)C[C@@H]2CNC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2296415319 FIPBGPMQCAIZJL-CYBMUJFWSA-N 470.326 2.094 30 10 JEEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2319391575 RXUGQNSQVVBAGS-YKSBVNFPSA-N 461.628 2.324 30 10 JEEE CC[C@@H](CN(C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nc(C)n1C)NC(=O)OC(C)(C)C 2337183628 CBGBYSLTEKBZFC-HNNXBMFYSA-N 450.389 2.403 30 10 JEEE C[C@H]1C[C@H](CNC(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)CN(C(=O)OC(C)(C)C)C1 2362348121 NHFJTKJLPCKPBV-JKSUJKDBSA-N 462.400 2.342 30 10 JEEE CC(C)(C)OC(=O)N1CC2(CC[C@@H](NC(=O)c3coc(B4OC(C)(C)C(C)(C)O4)c3)CO2)C1 2362417813 QDPGDHJCLANQOK-MRXNPFEDSA-N 462.352 2.477 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@H]2C[C@H](NC(=O)c3csnc3B3OC(C)(C)C(C)(C)O3)C[C@@H]21 2368862256 AOZPDJKIMKKWCX-VNQPRFMTSA-N 479.408 2.339 30 10 JEEE C=CCC[C@H](O)CN1CCN(Cc2nc(C(=O)N3CCN(c4ccc(F)cc4)CC3)co2)CC1 34677706 KUVVQYXYKPILCK-QFIPXVFZSA-N 471.577 2.221 30 10 JEEE C=CCn1c(=NC(=O)c2ccc(S(C)(=O)=O)cc2)sc2cc(S(C)(=O)=O)ccc21 254797182 BYSSJUYNEKTIEZ-UHFFFAOYSA-N 450.563 2.437 30 10 JEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2c(CC)oc3ccccc23)c(=O)n1C[C@H]1CCCO1 609421258 LMKLZSZZEGZKNO-MRXNPFEDSA-N 463.559 2.203 30 10 JEEE C#CCN(C(=O)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1)[C@H]1CCS(=O)(=O)C1 729332453 YYGKKUQMJFLTPE-INIZCTEOSA-N 493.434 2.043 30 10 JEEE CCOc1cc(C=NNc2nnc(SCC(=O)Nc3ccc(OC)cc3)n2N)ccc1O 1084186957 JMLDDMLIHXXQLO-UHFFFAOYSA-N 457.516 2.282 30 10 JEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCc2ccccc2CN2CC[C@H](O)C2)cc1 1214687090 MTSPCTXIGKFKCF-NRFANRHFSA-N 458.584 2.381 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CC1(CC(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 1286381755 GQATUJLHCTZLJV-XXBNENTESA-N 464.632 2.383 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCC[C@@H](O)C1)[C@@H]1CCS(=O)(=O)C1 1286383993 OTYKUEGVFBLVJB-DJIMGWMZSA-N 496.431 2.214 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CC1(N(C)C)CCCC1)[C@@H]1CCS(=O)(=O)C1 1286385359 WVKSGOUYZKKMKS-OAQYLSRUSA-N 466.611 2.318 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H](C(C)C)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1286387911 WLFPVVNHICAOFC-FPOVZHCZSA-N 456.616 2.087 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)nc2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1286403489 KMMUPUVJJRSCTO-IBGZPJMESA-N 453.978 2.009 30 10 JEEE C#CCN(CC#CC)c1nnc(Cc2ccccn2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1286428984 PXVFLOYHAQBHTH-UNMCSNQZSA-N 460.561 2.073 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC[S@@](=O)C(C)(C)C 1286462363 IOMWCJCHUNELPL-UUWRZZSWSA-N 484.626 2.308 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@]2(N(C)C)CCSC2)CC1 1286484450 ODTHDQZXOJFEDQ-DEOSSOPVSA-N 470.643 2.058 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[C@@H](C(F)F)N2CCOCC2)CC1 1286485488 NEWXMFIUZLOKIL-QHAWAJNXSA-N 494.631 2.308 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CC[C@H](OC)C(F)(F)F)CC1 1286489891 HFFARCFTVCWEON-KRWDZBQOSA-N 452.481 2.217 30 10 JEEE C=C(Br)Cn1c(COc2ccc(OC)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1286546639 CVWJSDUOUGSIQT-FQEVSTJZSA-N 462.348 2.491 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CCOC)C(=O)C1 1286548436 BCZGMIUVCYXCST-RBBKRZOGSA-N 450.543 2.093 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1286671937 CEKRKINCOPJLJH-OTWHNJEPSA-N 467.636 2.076 30 10 JEEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 1286700293 GSKJWNSWANVXGZ-ZCNNSNEGSA-N 457.623 2.012 30 10 JEEE C=CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@H](NC(=O)OCC)C1 1286770100 QYNQTPBELQSNAV-INIZCTEOSA-N 461.592 2.448 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1286783346 OYXYTIWSXFMTSA-UHFFFAOYSA-N 454.453 2.044 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 1286787187 BWKJHTOIOWQYKV-IAGOWNOFSA-N 487.992 2.378 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(F)c(C(F)(F)F)c1 1286787656 HUBCDBDDTOASBE-CQSZACIVSA-N 489.495 2.277 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC(CN(CC)C(=O)OC(C)(C)C)CC1 1286787741 ZNJNHSHYHUXBNX-UHFFFAOYSA-N 486.621 2.454 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(OC)nc2OC)C1 1286798038 GPRQJYMXKTVBRW-KRWDZBQOSA-N 465.514 2.167 30 10 JEEE CCNC(=O)c1ccc(Cn2c(N3CCC(C#N)CC3)nnc2[C@]2(OCC)CCOC2)cc1 1296277511 GHFOCRLCWVCRCG-DEOSSOPVSA-N 452.559 2.468 30 10 JEEE COc1cc(-c2nnc(N(C)C[C@H](C)C#N)n2CC2(S(C)(=O)=O)CC2)cc(OC)c1OC 1299836201 ATNKTTWVDAMHCI-CQSZACIVSA-N 463.560 2.144 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2C[C@@H]2CCOC[C@@H]2C)c1 1300337319 ZBOMUNMZDPGXBG-ICSRJNTNSA-N 464.570 2.129 30 10 JEEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccccc2OCC)CC1 1300356253 AWMQRSAEHKENIC-FQEVSTJZSA-N 464.570 2.394 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 1300409338 HRAGATXOBWTWBR-HXUWFJFHSA-N 488.570 2.102 30 10 JEEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCC1(O)CCOCC1 1300456033 SSWLMKCGVSQQSC-UHFFFAOYSA-N 450.543 2.066 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1300495662 JEBZJRKMJOYVJH-WOJBJXKFSA-N 458.584 2.050 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCCCC2)CC1 1300731686 SKXVEWNFLIGDMV-UHFFFAOYSA-N 475.597 2.180 30 10 JEEE C=CCNC(=O)Cn1c(N2CCN(Cc3cccc(Cl)c3)CC2)nnc1[C@@]1(OCC)CCOC1 1301519594 PTXNOTNKVBYOAI-XMMPIXPASA-N 489.020 2.208 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H](NC(C)=O)C1 1301567910 AODWULAMNFLQQR-APWZRJJASA-N 479.578 2.263 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(OC)cc2)nnc1N1CCO[C@H](C(F)(F)F)C1 1301592969 GWRHRLWJSPPILW-KRWDZBQOSA-N 490.504 2.234 30 10 JEEE C=CCSCCn1c(-c2cccnc2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1301605892 CLJHSMRUOQPNII-NQIIRXRSSA-N 455.632 2.248 30 10 JEEE CC(C)C(=O)NCCn1c(C2CCCC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1302466548 AYRPGRYFZDHPBQ-QGZVFWFLSA-N 451.579 2.085 30 10 JEEE C[S@](=O)C1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(CC(F)(F)F)CC2)CC1 1302508075 GNLGEGBIYSDOPP-XIFFEERXSA-N 482.532 2.324 30 10 JEEE CNC(=O)[C@@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCCO[C@H](C)C2)C1 1314960464 COQQLGQPUZDADC-CLOONOSVSA-N 465.602 2.280 30 10 JEEE C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1353576951 GFVFGYVMDBMOAD-KRWDZBQOSA-N 455.536 2.041 30 10 JEEE C#CCN(c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1358958681 UBPXBHXMZIMRJO-HXUWFJFHSA-N 471.627 2.348 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1CCc1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1358959534 LBIHBTBTQXWJQD-GOSISDBHSA-N 499.593 2.437 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1CCOc1ccc(Cl)cn1)[C@@H]1CCS(=O)(=O)C1 1358960896 NTMWHYCTEBZCHA-GOSISDBHSA-N 472.958 2.094 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1cc(C)cc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1358965613 YEQVZDZHVXLWKJ-OAQYLSRUSA-N 465.579 2.256 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H]1CCCN1CCCO 1358984358 ROZIGJOWRYWWLJ-HSZRJFAPSA-N 462.598 2.457 30 10 JEEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1(O)CCCCCC1 1359023027 WEVYDEBMSDYZDH-UHFFFAOYSA-N 474.631 2.410 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@](C)(O)CCOC)CC1 1359041977 NRBZAGUTDUGLSJ-HSZRJFAPSA-N 459.978 2.352 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2CCCO[C@@H]2CCOC2)CC1 1359045265 BBRREZAOIABNSP-LJQANCHMSA-N 487.551 2.309 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2Cc2ncnn2C(C)(C)C)CC1 1359045804 UOYKGWQXCKBZCG-UHFFFAOYSA-N 478.576 2.369 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCc2cccc(OC)c2)CC1 1359046925 KZLNMIQXTWBJGK-UHFFFAOYSA-N 475.597 2.357 30 10 JEEE C#CCSCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1359060553 ZMDYBFBVAWWRFX-UHFFFAOYSA-N 477.656 2.312 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(Br)cn2C)nnc1N1CCS(=O)(=O)CC1 1359092539 BWPAXWVAIJNYDG-PBHICJAKSA-N 484.420 2.262 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)COC)CC1 1359096256 YQSKOGMYRXAOHC-YLJYHZDGSA-N 460.966 2.270 30 10 JEEE C=C(C)Cn1c(N2CCN(CC(=O)N3C[C@@H](C)C[C@@H](C)C3)CC2)nnc1[C@]1(OCC)CCOC1 1359125201 SRLHRAIGJBWBBJ-BKSPAHHJSA-N 474.650 2.133 30 10 JEEE C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1359202456 SZONMJYKSXXLRE-LJQANCHMSA-N 476.578 2.236 30 10 JEEE C=CCOc1ccc(Cn2c(CC)nnc2N2C[C@@H](C)[C@@H](N3CCN(C(C)=O)CC3)C2)cc1 1359308128 FEGBYZRRNOUWOB-XXBNENTESA-N 452.603 2.442 30 10 JEEE CC#CCN(C)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 1450472669 YRTJEVQIDAOACZ-OAQYLSRUSA-N 454.508 2.447 30 10 JEEE Cc1cccc(CCCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@@](C)(C#N)C2)n1 1492526540 CBAHSVBQHPEYIO-OFNKIYASSA-N 487.630 2.077 30 10 JEEE CCN(CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1)C1CC1 1502188665 AGYDUQHOBJTMCK-HXUWFJFHSA-N 485.658 2.409 30 10 JEEE CCN1CCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1502282748 DZVGSTRCXPXRTO-NRFANRHFSA-N 471.631 2.161 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccc(C[S@](C)=O)cc1)[C@H]1CCS(=O)(=O)C1 1507623049 OHUOJXZAQIXDDP-ADSBAMQRSA-N 462.641 2.129 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCc1ccnc(C(C)(C)C)n1)[C@H]1CCS(=O)(=O)C1 1507632944 QWIZMRYZCUNWOT-QUCCMNQESA-N 486.642 2.129 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@H]1CCCCN1CC)[C@H]1CCS(=O)(=O)C1 1507639972 NQVGRLNTWHVIIE-RTWAWAEBSA-N 489.617 2.497 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccn2C)n1C[C@@H]1C[C@@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1507646788 SYTAUQSGCUDRKN-DYXWJJEUSA-N 464.570 2.381 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@]2(C)COCCO2)CC1 1507736116 MLGXROPTJSAOJE-IQGLISFBSA-N 485.560 2.329 30 10 JEEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC2(CCCCCC2)C1 1507845124 BABHCDQFPFLMMZ-HXUWFJFHSA-N 497.662 2.133 30 10 JEEE C=C(Cl)Cn1c(-c2cnccn2)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1507865478 DFUUJJGXRHMIRS-IAGOWNOFSA-N 458.998 2.114 30 10 JEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2ccc(F)cc2F)C1 1507953631 HSQBRVGSEGKISV-UXHICEINSA-N 497.568 2.433 30 10 JEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1507955471 ZUDOFHDEJRXZMK-ROUUACIJSA-N 498.650 2.023 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1(O)CCOCC1 1508041695 LMXOWOMNERWQOP-HDICACEKSA-N 465.595 2.229 30 10 JEEE CCC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(C(N)=O)nc2)CCN1CCOC 1514376424 FXOXYWNMIGTISK-JOCHJYFZSA-N 488.596 2.296 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1539030827 ULOAPXLJOOUPEQ-GOSISDBHSA-N 475.553 2.441 30 10 JEEE C#CCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1539109716 UOSDDLZKLLDZIH-KRWDZBQOSA-N 459.572 2.195 30 10 JEEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1539154592 QKPHNICBNVSLLX-YLJYHZDGSA-N 459.513 2.041 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCc1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 1539215414 BMWCNCBAQGPWRD-IBGZPJMESA-N 458.975 2.201 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCOC1CCCCCC1)[C@@H]1CCS(=O)(=O)C1 1539215561 FKLNTRMTCNCSQW-LJQANCHMSA-N 460.604 2.045 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@@H]1CCC[C@H](O)C1)[C@@H]1CCS(=O)(=O)C1 1539226276 WQNLUHZRBRNTBO-NRSPTQNISA-N 472.611 2.055 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H]2CSCCS2)CC1 1539428271 OPDXFSCVONOMGX-IBGZPJMESA-N 491.086 2.465 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2CC2(SC)CCN(C)CC2)CC1 1539461361 DXNMAJXHLGOWFZ-UHFFFAOYSA-N 484.670 2.448 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(OC(C)C)nc2)CC1 1539480588 CNKOXZRHXOQGHU-NRFANRHFSA-N 466.586 2.368 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCC2CC2)CC1 1539482674 WFEAZINCAUPAOD-FQEVSTJZSA-N 486.617 2.352 30 10 JEEE C#CCSCCn1c(COc2ccc(C)cc2)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1539527230 YBKXRVHJXBLZFU-LJQANCHMSA-N 458.609 2.159 30 10 JEEE C=C(C)Cn1c(Cc2ccccc2C)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1539707925 RHSMAPQVZVCHQY-NRFANRHFSA-N 459.616 2.384 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C(=O)NCC)cc2)CC1 1539889956 FKDGWDAUHVYZCU-FQEVSTJZSA-N 457.600 2.381 30 10 JEEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cnn(CCOC)c1 1540076976 DEQCOVOGNSSHAY-SFHVURJKSA-N 461.567 2.100 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCN2C(=O)CC[C@H]2C1)C(C)C 1540148302 UXEBMWAHZXUGQZ-LEWJYISDSA-N 469.634 2.024 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CC[C@@H](OCc2cccc(OC)c2)C1 1540867838 JQQDWGSWYPVUSK-HXUWFJFHSA-N 450.543 2.390 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1540904548 NRXSFXWITUPFHO-NRFANRHFSA-N 476.628 2.017 30 10 JEEE C=CCn1c(S)nnc1Cc1csc(NC(=O)[C@H]2CN(C(=O)C(C)(C)C)CCO2)n1 1546213139 LQFLOIBEMRFTEW-CYBMUJFWSA-N 450.590 2.012 30 10 JEEE C#Cc1cccc(NC(=O)CNS(=O)(=O)Cc2cc3c(cc2Br)OCO3)c1 1561148657 RNZSGJKOEITXLC-UHFFFAOYSA-N 451.298 2.217 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2C[C@@]2(C)CCCO2)c1 1587697748 WXGRXCGURNVHTO-XMMPIXPASA-N 450.543 2.026 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@H](SC)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1588029393 HFKFEHYOHPKEFK-IRXDYDNUSA-N 490.655 2.330 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccccc1OC)[C@@H]1CCS(=O)(=O)C1 1588034649 JVNGQEIRDSBICG-YKSBVNFPSA-N 488.610 2.002 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CC[C@](C)(O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1588064357 GVNRJWZUWUDCGP-DHLKQENFSA-N 479.606 2.188 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCO[C@H]2CCOC2)CC1 1588898855 FJFDUYVHXVWMST-NRFANRHFSA-N 482.541 2.015 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC[C@H]2CCO[C@@H](C)C2)CC1 1588968605 NNJCDYINPQMRCH-LGGPRVQUSA-N 473.618 2.173 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)c1ccco1 1589545298 NAOAVGNWCGSEBV-JYBIWHBTSA-N 479.603 2.383 30 10 JEEE C=CCC(C)(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1594472206 AMVOJTRBUWKQEH-UHFFFAOYSA-N 496.612 2.492 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCS[C@@H](C)C1 1595650261 ZLZBZOOUKXMXKB-JKSUJKDBSA-N 451.618 2.443 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccccc1N1CCCC1 1595789603 XSGMRIRLZQQIJO-LJQANCHMSA-N 472.615 2.067 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1595822740 JTYSDHXHBSZGBX-RDPSFJRHSA-N 490.626 2.459 30 10 JEEE CCCC1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)CCC1 1614425927 FBZYICXYEBREOO-OXJNMPFZSA-N 454.572 2.023 30 10 JEEE COc1cc(OC)c2c(c1Cl)O[C@]1(C(=O)C=C(NCCN3CCOCC3)C[C@H]1C)C2=O 1615244416 ZZMCZOLWLVLWPL-MCMMXHMISA-N 450.919 2.086 30 10 JEEE Cn1cccc1-c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCNC(=O)OC(C)(C)C 1618448596 FTXJHIIZLBOEOU-UHFFFAOYSA-N 477.573 2.402 30 10 JEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(c2nccc(N3CCOCC3)n2)CC1 1630622135 LGAONVKYRHAIKM-LJQANCHMSA-N 457.575 2.326 30 10 JEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3C[C@H](C)[S@](=O)[C@H](CC)C3)nnc12 1641553843 ZTFYZKQVSBGHMB-LBLJIAFJSA-N 459.597 2.080 30 10 JEEE CC(C)(C)S(=O)(=O)N1CCC(NS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)CC1 1668555501 BLVMJUZIFLYIFV-UHFFFAOYSA-N 453.508 2.448 30 10 JEEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(C)=O)C[C@H]1C 1689931730 GOEAELMMPWKMHF-MJGOQNOKSA-N 460.579 2.057 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnn(C)c2)n1CCCN1CCN(CC)CC1 1690089908 PZCRHOIYOBTFFF-UHFFFAOYSA-N 464.593 2.485 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 1690237404 YLAHUQFVSARTMU-ZCNNSNEGSA-N 469.652 2.260 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(Br)cn2C)nnc1N1CCNC(=O)CC1 1690239098 RFCSXLXQBDAZCG-KSSFIOAISA-N 463.380 2.354 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)c1ccc(F)cc1 1690265327 MRSCZHGMJPMGEJ-KNQAVFIVSA-N 481.594 2.060 30 10 JEEE C=C(C)COCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1690302327 APWBCTKCIGDWKG-QGZVFWFLSA-N 451.474 2.090 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CC[C@](O)(c2cccc(F)c2)C1 1690727142 VHDAMYOLPSZPPA-HSZRJFAPSA-N 471.558 2.102 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1Cc1cn(C2COC2)nn1 1705477508 OYHOGOQJLUSUQO-SJORKVTESA-N 451.531 2.486 30 10 JEEE C#CCN(CCOC)c1nnc(COc2ccc(F)cc2)n1Cc1nnc2n1CCCCC2 1705631111 SDPNGSTWRXGISI-UHFFFAOYSA-N 453.522 2.448 30 10 JEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2ccc(Cl)cc2)C1 1705653840 QVXGDFAALRVJLZ-MAUKXSAKSA-N 484.047 2.486 30 10 JEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)c2cccc(C)c2)CC1 1705660142 NZXGBESXOVWMAQ-HXUWFJFHSA-N 466.611 2.257 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1CC1(CS(C)(=O)=O)CC1 1705861019 YYPLEJQTOAQLDC-IBGZPJMESA-N 468.583 2.118 30 10 JEEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(c2ncccc2C#N)CC1 1705891102 YZOZGCRXWBARBT-LJQANCHMSA-N 480.573 2.366 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC(=O)NCC(F)F)C1 1705915305 TYQNZPMNRLKKKW-QGZVFWFLSA-N 462.501 2.310 30 10 JEEE C[C@H]1CN(c2ccc(Cn3c(-c4cccc(C#N)c4)nnc3N(C)[C@@H](C)CC(N)=O)cn2)CCO1 1708152282 CBMQJPNPOYFWAL-ROUUACIJSA-N 474.569 2.185 30 10 JEEE COCCN1C[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@](C)(OC)C2)CC1=O 1712468529 FKZYEQMJUHMEOI-CYFREDJKSA-N 452.559 2.317 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCCS1(=O)=O 1722293387 ZTLZXYNSTPIQSH-KSZLIROESA-N 481.619 2.012 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(F)cn1)[C@H]1CCS(=O)(=O)C1 1722361977 LJTLKXNIUXYYDT-FQEVSTJZSA-N 450.499 2.026 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CC(C)(C)c1ccccn1)[C@H]1CCS(=O)(=O)C1 1722369755 GDGGHFUOQCYJCC-ZJOUEHCJSA-N 487.626 2.002 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(N2CCCC2)CCOCC1 1722391465 NHGNDHPANLAXOJ-AREMUKBSSA-N 469.630 2.427 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CC(=O)N(C)C1CCCCC1 1722398350 WHPJWXQEGHNMEA-UHFFFAOYSA-N 450.543 2.260 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC2(O)CCOCC2)CC1 1722445129 SEOSCLGGPDBTOL-GOSISDBHSA-N 485.560 2.065 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC(Cn2ccnn2)CC1 1722693197 GKXGXXDDHQOIKJ-UHFFFAOYSA-N 472.500 2.357 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1722698235 WPLJHELXTUJPAM-UHFFFAOYSA-N 462.945 2.494 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccnc3)n2CCCN2CCC[C@H]2C(=O)N(C)C)C1 1722712706 YCPMFUIPNNFCSL-SFTDATJTSA-N 453.591 2.064 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N(C)Cc1ccon1 1722723905 IEVLCLFUFBCEDE-UHFFFAOYSA-N 469.365 2.271 30 10 JEEE CC(C)COC(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ncn(C)n2)CC1 1723474992 CZPZETBKFLFOMN-UHFFFAOYSA-N 463.546 2.298 30 10 JEEE CN(C)CCOc1cccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@](C)(C#N)C2)c1 1729337832 FHDQOULJDHLTBW-GBXCKJPGSA-N 486.642 2.299 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)cc1OCCCOC 1740553682 UBPQKPGXNIDCRP-AZUAARDMSA-N 460.600 2.410 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1cccc(N2CCOCC2)n1 1740558575 WVYWDMZWYWSASC-LJQANCHMSA-N 457.538 2.467 30 10 JEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 1740581283 UNEVRQVFENLLEZ-MAUKXSAKSA-N 483.541 2.481 30 10 JEEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1740589776 BKFSIOOJUOOTOC-NHCUHLMSSA-N 499.616 2.410 30 10 JEEE C#CCN(c1nnc(C(C)C)n1CCc1ccc(-n2cccn2)cc1)[C@H]1CCS(=O)(=O)C1 1740617700 VQGZWNZZAPCKOO-NRFANRHFSA-N 452.584 2.457 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1CCN(C)C1CCCC1)[C@H]1CCS(=O)(=O)C1 1740622212 WEMMKYVXFZIUCS-FQEVSTJZSA-N 471.627 2.455 30 10 JEEE C#CCN(CC#CC)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@]1(O)CCS(=O)(=O)C1 1740658697 MQOCJGSOQJOECS-RUZDIDTESA-N 484.622 2.301 30 10 JEEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 1740715369 XYCMEQQDHDAYTF-SFTDATJTSA-N 483.686 2.467 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1740727853 CHSXWBJSMPDWEJ-WZONZLPQSA-N 473.599 2.378 30 10 JEEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1740950512 URHXHSRFYUDNGR-HXUWFJFHSA-N 498.584 2.441 30 10 JEEE CCn1nc(-c2nnc(N(C)[C@@H](C)CC#N)n2CCCN2CCC(O)CC2)c2ccccc2c1=O 1746469218 AITSBJWYLSYXLU-SFHVURJKSA-N 478.601 2.260 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCN1CCOC[C@H]1C 1748665346 PPLWDPCCLOKMBK-RBUKOAKNSA-N 463.586 2.415 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1Cc1ccc(C(N)=O)nc1 1748667828 AROYXZANBHRNSM-INIZCTEOSA-N 467.574 2.393 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2CC(=O)NCC(F)(F)F)c1 1748691950 PDNWCSGMQCEIPT-UHFFFAOYSA-N 459.432 2.008 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H](c1ccco1)N(C)C)[C@H]1CCS(=O)(=O)C1 1748809410 MPIMPBGVXWJHMQ-SFTDATJTSA-N 478.578 2.339 30 10 JEEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1CC1(C)CCC1)[C@@H]1CCS(=O)(=O)C1 1748820959 KENPCBUTJJJAAG-MRXNPFEDSA-N 461.613 2.087 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@]1(O)CCSC1 1748842541 LSSRLHXTUOVYLF-DEOSSOPVSA-N 462.579 2.177 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc(C)o3)n2C[C@@]2(O)CCSC2)n1 1748970893 WMIIUYDTTXBKIW-QFIPXVFZSA-N 456.572 2.197 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](Oc2ccccn2)C1 1749368588 MSWPFPZSKMGWAN-RBUKOAKNSA-N 490.630 2.266 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1749679799 BFJCXOZTPBRQHD-CTNGQTDRSA-N 470.643 2.338 30 10 JEEE C=CCOc1ccccc1Cn1c(-c2ccccn2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1749687655 WNIXTKOTEBXHIT-LJQANCHMSA-N 468.583 2.471 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCN2CCCC[C@H]2C)C1 1749713658 WHYONRQYCQELKG-HSALFYBXSA-N 451.637 2.226 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1749725784 ZGZNOUQFMWDPPV-HXUWFJFHSA-N 494.415 2.025 30 10 JEEE N#Cc1ccc(-c2nnc(N3CCN(CC(F)(F)F)CC3)n2C[C@H]2CCCN2CCCO)cc1 1750382099 BPZSYQJJNPTUND-HXUWFJFHSA-N 477.535 2.348 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1CC[C@H](OCC)C1CCCC1)[C@H]1CCS(=O)(=O)C1 1760188637 LFUAERODNRARMK-FPOVZHCZSA-N 472.615 2.347 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1760198524 KCHXQSDMTMWRGH-OALUTQOASA-N 466.952 2.412 30 10 JEEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccc(Cl)cc2C1 1760281437 MXRAELMDWWPHQZ-IBGZPJMESA-N 496.058 2.194 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(c2ccc(O)cc2)CC1 1760346044 FOSDZPAIJVQHRP-FQEVSTJZSA-N 461.588 2.277 30 10 JEEE C=C(Cl)Cn1c([C@H](C)OCCOC)nnc1N1C[C@H](OC)C[C@H]1c1nnc2n1CCC2 1760366798 JHOMQOJTNJJYAM-XHSDSOJGSA-N 451.959 2.259 30 10 JEEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1Cc2ccccc2[C@@H]1C 1760449975 APIXMLNWQNYLLK-FXAWDEMLSA-N 461.588 2.285 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC[C@H](CN3CCC(C)CC3)C2)nnc1[C@@]1(OCC)CCOC1 1760529103 XBNHFCXBZHOBPH-PXDATVDWSA-N 474.650 2.181 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCC(Cn2cncn2)CC1 1760552740 ZJSOUGMNSFZVDX-UHFFFAOYSA-N 459.551 2.193 30 10 JEEE Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)CC#N)n2C[C@]2(N3CCOCC3)CCSC2)n1 1762408057 GVHZOQAGESIMOE-PGRDOPGGSA-N 458.636 2.086 30 10 JEEE C#CCOC(=O)NS(=O)(=O)c1ccc(CNC(=O)Cc2ccc(Br)cc2)cc1 1858966986 QKQCITZUDSNSMF-UHFFFAOYSA-N 465.325 2.356 30 10 JEEE COc1cc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCNC(C)=O)cc(OC)c1O 1862680122 UTFQDEFEITXUOE-IBGZPJMESA-N 458.442 2.263 30 10 JEEE O=C(NCCCn1ccnc1)[C@@H](Cc1c[nH]c2ccccc12)N=C1NS(=O)(=O)c2ccccc21 1869931884 KUBUPYQDACZBTL-OAQYLSRUSA-N 476.562 2.221 30 10 JEEE COc1cc(C(=O)Nc2c(C#N)nnn2-c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC 1870137631 TYELBFULEBSCTL-UHFFFAOYSA-N 469.454 2.443 30 10 JEEE CCOc1ccccc1OCC(=O)Nc1c(C#N)nnn1-c1ccc(N2CCN(C)CC2)cc1 1870144594 GWJWNNGPTPNCGT-UHFFFAOYSA-N 461.526 2.307 30 10 JEEE C=CCn1cc(OCC(=O)Nc2ccc(C(=O)OCCC)cc2)c(=O)cc1CN1CCN(C)CC1 1870389492 RYLZKBZYKDRDCD-UHFFFAOYSA-N 482.581 2.366 30 10 JEEE C#CCOc1cn(CCN(C)C)c(CNc2ccc(C(=O)NCCN(CC)CC)cc2)cc1=O 1871007867 WOHOXPFVVJEYJP-UHFFFAOYSA-N 467.614 2.106 30 10 JEEE CCCCCCCCN=c1nc(N2CCC(O)CC2)[nH]c(=Nc2ccc3c(c2)C(=O)N(C)C3=O)[nH]1 1871631341 AEAHXDUCBGBWCZ-UHFFFAOYSA-N 481.601 2.418 30 10 JEEE CCCNC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1ccc2c(c1)OCCO2 1874336794 DHMAKSMQOGOESV-BIXBROTJSA-N 486.598 2.274 30 10 JEEE CC(C)(C)OC(=O)N1CCN([C@]2(CN)CN(Cc3ccccc3)[C@@]3(CCOC3)C2)[C@H](C#N)C1 1881500363 LDYZSYVISYEIJE-IEZKXTBUSA-N 455.603 2.194 30 10 JEEE CCOc1ccc(S(=O)(=O)N2CCC(OCC#CCN3CCN(CC)CC3)CC2)cc1F 1890613550 ZZJSMQKIQKFOFF-UHFFFAOYSA-N 467.607 2.035 30 10 JEEE C=C(Br)CS(=O)(=O)N[C@H]1CCC[C@@H]1N1CCN(C(=O)OC(C)(C)C)CC1 2118088358 TWLYHEYUNHZBAT-GJZGRUSLSA-N 452.415 2.288 30 10 JEEE CC(C)(C)OC(=O)N1CC(C)(C)OC[C@@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2180984222 ICEKYLNLNFRJNV-OAHLLOKOSA-N 462.356 2.129 30 10 JEEE CC1(C)OB(c2cccc(S(=O)(=O)NC3CN(C(=O)OCc4ccccc4)C3)c2)OC1(C)C 2247951012 GLGDQPKPMPDMOV-UHFFFAOYSA-N 472.372 2.285 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2CCCO[C@@H](CNC(=O)OC(C)(C)C)C2)C1 2255187755 XARCMHWOYCPJSS-BNGSBABLSA-N 451.564 2.435 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccsc2B2OC(C)(C)C(C)(C)O2)[C@H](CO)C1 2255641038 NWKPYLZEDDMANV-AWEZNQCLSA-N 452.382 2.101 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2[C@H](NS(=O)(=O)c3cc(B4OC(C)(C)C(C)(C)O4)cs3)[C@H]2C1 2255753244 OOZZNQJGKCVXQT-FOLVSLTJSA-N 470.422 2.191 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCOC[C@@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2256641863 ZEZPFLKABZPNRZ-STQMWFEESA-N 453.370 2.311 30 10 JEEE CN(C[C@@H](O)CNC(=O)OC(C)(C)C)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2266973671 IPFKXIDLDJTOQP-HNNXBMFYSA-N 452.332 2.083 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)[C@H](C(=O)O)C1 2267129014 WFPUCFHUJNFIQK-AWEZNQCLSA-N 466.365 2.193 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](O)C[C@H]1C(=O)NCc1sccc1B1OC(C)(C)C(C)(C)O1 2268645532 FTPKKMRFOBNEOO-HOCLYGCPSA-N 466.409 2.424 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H](C(=O)N=c3nc(B4OC(C)(C)C(C)(C)O4)[nH]s3)C[C@H]2C1 2268681019 YQSPVKGWDMDTMR-BTTYYORXSA-N 464.397 2.091 30 10 JEEE Cn1ncc(C(=O)N[C@@H]2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)c1B1OC(C)(C)C(C)(C)O1 2281826891 OBYTYGZOUZOGKX-BHYGNILZSA-N 460.384 2.095 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H](F)C[C@H]1CNC(=O)OC(C)(C)C 2281974390 XHQYUQTYPZHFSE-GJZGRUSLSA-N 466.363 2.280 30 10 JEEE Cn1cc(C(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)C(C)(C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2281977385 OPHNALHNEQODMH-HNNXBMFYSA-N 462.400 2.485 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1COCCN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2Cl)C1 2282005597 QGVZTUCLVJVRAV-HNNXBMFYSA-N 481.786 2.400 30 10 JEEE C[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2CN1C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2282030161 BFNYLUKNCMQBRQ-HLLBOEOZSA-N 458.368 2.103 30 10 JEEE CO[C@@](C)(CNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1)COCc1ccccc1 2282507119 BWWSCSLYVTYKBQ-QFIPXVFZSA-N 496.460 2.484 30 10 JEEE CCc1nc(C(=O)N(C)C[C@@H](O)CN(C)C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2282524375 CFWKYAOFVUTNMT-CQSZACIVSA-N 483.440 2.305 30 10 JEEE CCc1nn(C)c(C(=O)N2C[C@@H](NC(=O)OC(C)(C)C)C[C@H]2C)c1B1OC(C)(C)C(C)(C)O1 2282560762 WNFJUHXXPMKHII-CABCVRRESA-N 462.400 2.409 30 10 JEEE Cn1nc(C(=O)N[C@H]2C[C@H]3C[C@H]2CN(C(=O)OC(C)(C)C)C3)cc1B1OC(C)(C)C(C)(C)O1 2282624046 JOJNVPQMSKTAAD-PMPSAXMXSA-N 460.384 2.095 30 10 JEEE CC(C)(C)OC(=O)N1CCN([S@@](C)(=O)=NC(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)CC1 2282633859 DLFPOEYZEAONGN-XIFFEERXSA-N 483.396 2.285 30 10 JEEE C=C(CS(=O)(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)Cc2nccn2C1)B1OC(C)(C)C(C)(C)O1 2282876920 KNXPKBCLHOCJAR-INIZCTEOSA-N 482.412 2.109 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F)C(C)(C)O 2285183617 BFUPMYXGLZMXCD-KRWDZBQOSA-N 466.359 2.405 30 10 JEEE Cc1cc(CNC(=O)C2(CNC(=O)OC(C)(C)C)COC2)ccc1B1OC(C)(C)C(C)(C)O1 2289458485 GJZKXJQNZCSTEB-UHFFFAOYSA-N 460.380 2.452 30 10 JEEE CC(C)(C)OC(=O)N1CC2(CC[C@H](CNC(=O)c3cnsc3B3OC(C)(C)C(C)(C)O3)O2)C1 2362577154 SGZTYKKAMAPOGS-CQSZACIVSA-N 479.408 2.341 30 10 JEEE Cc1c(C(=O)N(C)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2F)c(B2OC(C)(C)C(C)(C)O2)nn1C 2369669790 MUHGQQPSAOGJKB-GJZGRUSLSA-N 466.363 2.057 30 10 JEEE COc1ccc([C@@H]2/C(=C(/O)c3ccc([N+](=O)[O-])cc3)C(=O)C(=O)N2CCOCCO)cc1OC 103117712 SDECZCAXCXKPPP-GOBJLOIFSA-N 472.450 2.043 30 10 JEEE Cn1c(O)nc(=O)c2c1nc(NN=C/C=C/c1ccccc1)n2C[C@@H](O)COc1ccccc1 254862367 ROSYVEXWZIQEIQ-AAKXYHPYSA-N 460.494 2.387 30 10 JEEE CCN(CC)C(=O)c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 409515108 SJZXGYGGFQBWJP-UHFFFAOYSA-N 454.552 2.187 30 10 JEEE Cc1cnc2c(S(=O)(=O)N3CCN(S(=O)(=O)c4ccc(F)c(C#N)c4)CC3)cccc2c1 488921863 WGLWFJMBYZZUIJ-UHFFFAOYSA-N 474.539 2.249 30 10 JEEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)c2ccc(F)cc2F)CC1 522367469 FWASSPYLVIJWPE-HSQYWUDLSA-N 474.552 2.185 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)C[S@](=O)CC(=O)Nc2ccccc2OC)nc1C 586353104 WKKUTKRDBVWTHB-SSEXGKCCSA-N 451.526 2.129 30 10 JEEE C=C(Cl)C[C@H](NS(=O)(=O)c1c(C)cc(C)c(NS(C)(=O)=O)c1C)C(=O)OCC 1213383466 QQTNZTDQVZHNCU-AWEZNQCLSA-N 452.982 2.336 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@H](C)N1CCOCC1 1286291051 VEPIWENGRAKTBI-RTBURBONSA-N 463.586 2.244 30 10 JEEE C#CCCCn1c(-c2ccc(CC)cc2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1286342342 BFLDGKBUZLRPLN-UHFFFAOYSA-N 481.626 2.474 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H](C)CN1CCN(CC)CC1 1286398957 UULHTFUJFZEIQT-NRFANRHFSA-N 475.641 2.494 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(F)cn1 1286465955 CGFWPGJEULFWFU-LJQANCHMSA-N 474.537 2.255 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2Cc2cccc(C(=O)NCCC)c2)CC1 1286482769 YRLZYKNMZPYWGB-UHFFFAOYSA-N 457.582 2.207 30 10 JEEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1286511718 OFOVDCYVKUQSJI-QGZVFWFLSA-N 474.656 2.377 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccsc2)CC1 1286537669 HTTMGYZIDRZSDE-AWEZNQCLSA-N 465.377 2.162 30 10 JEEE C=C(C)COCCn1c(COc2ccc(C)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1286612804 JZWASFXOGIEDQG-UHFFFAOYSA-N 463.604 2.230 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC(Oc2cncc(Cl)n2)CC1 1286788333 UVJWWYBQGNJHHA-MRXNPFEDSA-N 461.954 2.313 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(Cc2cscn2)CC1 1286815484 WCWNDAVNYALXCL-UHFFFAOYSA-N 483.623 2.196 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@H](NC(C)=O)C1 1286815913 BBDWCMCAWFUBGR-WMZOPIPTSA-N 479.578 2.263 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 1286820798 RXIVVMRMFVKGGT-PMACEKPBSA-N 462.620 2.428 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1286824044 UIVKOCVTMZVUIG-JOCHJYFZSA-N 464.636 2.382 30 10 JEEE Cc1ccc(C)c(OCc2nnc(N3CCC(C#N)CC3)n2CC2(C(N)=O)CCOCC2)c1 1289501157 DMBBIDOXLCAXFX-UHFFFAOYSA-N 452.559 2.496 30 10 JEEE CCNC(=O)C(C)(C)Cn1c(Cc2cccnc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1296242070 IBDAADVZWDIXQN-UHFFFAOYSA-N 473.585 2.019 30 10 JEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(S(=O)(=O)c2ccccc2)CC1 1300364128 IASIDEYGPPZCOU-IBGZPJMESA-N 490.651 2.426 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(F)c(C)c1)[C@H]1CCS(=O)(=O)C1 1300479080 IAJZMZVUBTUMIS-SFHVURJKSA-N 482.541 2.048 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCOc1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 1300495709 JRJVKTUQGZWHIH-AEFFLSMTSA-N 464.975 2.141 30 10 JEEE C#CCN(CC#C)c1nnc(CCOc2ccccc2)n1Cc1ccc(N2CCOCC2)nc1 1300545792 WFIQIGUIYZGEBA-UHFFFAOYSA-N 456.550 2.252 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(CS(C)(=O)=O)cc2)CC1 1301125281 NFUWDBGFBMXWAF-FQEVSTJZSA-N 478.640 2.176 30 10 JEEE C=CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@H](C)CS(C)(=O)=O 1301185263 ANQQLIDAPVRXGL-MRXNPFEDSA-N 458.588 2.418 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@H]1COCCO1 1301402691 QAWKVFDGZLFGMI-SFTDATJTSA-N 460.600 2.221 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCC(O)(C(F)(F)F)CC1 1301514705 LTKCRTYEJGQJQY-UHFFFAOYSA-N 469.464 2.062 30 10 JEEE C=CCSCCn1c(N2CCN(C(=O)NC(C)(C)C)CC2)nnc1[C@]1(OCC)CCOC1 1301620798 LHKFTCGVFCUNSN-QFIPXVFZSA-N 466.652 2.480 30 10 JEEE C[C@H](CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(C#N)C1)N1CCCCC1 1303666862 FUINBOJKWUXNFK-TXTKFYIRSA-N 493.678 2.006 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCNC(=O)OC(C)(C)C 1358885080 CNGHHGHRQOVSCE-HNNXBMFYSA-N 461.592 2.221 30 10 JEEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1358903603 DAVKHFRJRRXEOR-UHFFFAOYSA-N 492.628 2.254 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CCOCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1358965196 PVZSBVFBRCYIFW-JOCHJYFZSA-N 465.579 2.107 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1cccc(CN(C)CC)c1)[C@@H]1CCS(=O)(=O)C1 1358965387 UIJKCNORXCWECI-XMMPIXPASA-N 492.649 2.391 30 10 JEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H](C)N(CC)CC 1358971432 VMPRNZRGAMWEMR-GOSISDBHSA-N 455.632 2.350 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@@]1(O)CCO[C@H]1C 1358974001 NHIVFQDHITXAHT-BTYIYWSLSA-N 459.344 2.329 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@]1(N2CCOCC2)CCSC1 1358974186 UOLSRFYOUYMODV-VWLOTQADSA-N 481.622 2.243 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC(=O)NCc1ccco1 1358976424 DSARMJCCJYHTTM-UHFFFAOYSA-N 483.532 2.047 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)CC1 1359037419 IZXJEYPNXVAUFR-IBGZPJMESA-N 453.591 2.275 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC(F)(F)CO2)CC1 1359041784 IPQYROKEBHXSNI-IBGZPJMESA-N 454.481 2.207 30 10 JEEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1359052759 OWZJEPKKFVKMMP-INIZCTEOSA-N 491.547 2.360 30 10 JEEE C=CCNC(=O)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N(C)CCS(C)(=O)=O 1359293644 WCSJRSXORMKQTG-UHFFFAOYSA-N 474.612 2.160 30 10 JEEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@]2(CCSC2)C1 1359334779 QSXGCKVBPWKTIR-FQEVSTJZSA-N 481.669 2.204 30 10 JEEE C=CCSCCn1c(Cc2csc(C)n2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1359344738 HJOJJNOJXAZBAO-UHFFFAOYSA-N 461.617 2.074 30 10 JEEE C#CC[C@]1(C(=O)NC[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)CCCN1C(=O)OC(C)(C)C 1456348316 VJVYDIMUBNFQQK-XZOQPEGZSA-N 451.564 2.268 30 10 JEEE COc1ccc(C(=O)N2CCOCC2)cc1NC(=O)N1CCN(c2ccsc2C#N)CC1 1476063464 DHERSOBBOJZWPG-UHFFFAOYSA-N 455.540 2.455 30 10 JEEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2oc(CC)nc2C)C1 1502482138 DGMAULOUMGWGAQ-IBGZPJMESA-N 499.597 2.154 30 10 JEEE N#CCCN(CC1CC1)c1nnc(CCc2ccccc2)n1CC1(O)CCS(=O)(=O)CC1 1505324501 DDLSJLMQHWUCPD-UHFFFAOYSA-N 457.600 2.133 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1ccccc1OC 1507588851 ROYIUSVRWOUABN-TZIWHRDSSA-N 473.599 2.375 30 10 JEEE C#CCN(c1nnc([C@@H](CC)c2ccccc2)n1CC(=O)NCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1507624820 DYEPBSKUVBZPDZ-MSOLQXFVSA-N 497.543 2.125 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Cl)n1Cc1cc(C)nn1C)[C@@H]1CCS(=O)(=O)C1 1507629533 NESBOTBXJOSOHE-MRXNPFEDSA-N 458.975 2.315 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CC(=O)N(C)Cc1ccccc1 1507668357 YMFWUKWSGUJHMO-UHFFFAOYSA-N 458.522 2.127 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccncc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1507701932 PPSKWPKXUVRRIX-OAQYLSRUSA-N 482.585 2.324 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1(O)CC(OCC)C1 1507714811 XGCUAUYVFDWOKS-SZTYLXMGSA-N 477.606 2.366 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(Br)c3)n2CC[S@@](=O)CC)CC1 1507718860 TVCOSUBUNCICJO-MHZLTWQESA-N 450.406 2.231 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1507785812 TUELEQWHYXLMOT-CVEARBPZSA-N 474.425 2.085 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1507803528 GGNIYKGZKIMQER-KPYOPSEVSA-N 497.596 2.489 30 10 JEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(N(C)C)Cc3ccccc3C2)CC1 1507880976 LTRPINLMMJIGQM-SFHVURJKSA-N 458.632 2.144 30 10 JEEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 1507936760 KCUOUSLZAZPQAU-IBGZPJMESA-N 464.636 2.311 30 10 JEEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(OC)c(OCC)c(OC)c1 1507984118 UHDOYAUTADEFJT-INIZCTEOSA-N 450.561 2.267 30 10 JEEE C=CCn1c(-c2noc3c2COCC3)nnc1N1CCN(CCCOCC(F)(F)F)CC1 1508058160 UFMHKPHKSPAXOV-UHFFFAOYSA-N 456.469 2.283 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](c2ccc(OC)cc2)C1 1508070675 BBVMXRNAIVPFRJ-SFHVURJKSA-N 461.526 2.230 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CC1CC(F)(F)C1 1508072168 HVUUFWYTCVQGKF-UHFFFAOYSA-N 453.515 2.132 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCOC2(CCOCC2)C1 1508093614 VUSRQMAUKCFYBA-UHFFFAOYSA-N 455.559 2.162 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCN2CCCS2(=O)=O)C1 1508128189 MYDAUCZLGPXQIZ-GUDVDZBRSA-N 467.636 2.014 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCN(c2ccc(C)cc2)CC1 1508142917 CINJRXRXXHOZKS-UHFFFAOYSA-N 466.611 2.500 30 10 JEEE CC(=O)N1CCN(CCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC[C@@](C)(C#N)C2)CC1 1508274083 DODKYLYKRGXULO-QHCPKHFHSA-N 466.546 2.147 30 10 JEEE CC1(C)CC(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(CC#N)CC2)C1 1510300636 AVGQPNNKIXXKHC-SFHVURJKSA-N 450.609 2.177 30 10 JEEE CS[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1519807111 CGMBOMNMBCCWOV-WMZOPIPTSA-N 478.644 2.246 30 10 JEEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2c3ccccc3N(C(=O)OC(C)(C)C)C2(C)C)C1=O 1536256257 PXKIDNXEKVRROB-KRWDZBQOSA-N 456.499 2.354 30 10 JEEE C#CCCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCN(S(C)(=O)=O)CC1 1539068624 YWEIUQUXBXMDRP-UHFFFAOYSA-N 497.625 2.121 30 10 JEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1539101690 FQYJKKHTTZWEEY-UHFFFAOYSA-N 457.600 2.457 30 10 JEEE C#CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1539104912 SZINKTWZLVAYQS-WMZHIEFXSA-N 480.613 2.365 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CC(O)(CCC)CCC)[C@@H]1CCS(=O)(=O)C1 1539219005 AZUZLWCQQATOOE-RTBURBONSA-N 452.621 2.478 30 10 JEEE C#CCN(c1nnc(COCC)n1C[C@@H]1SCCc2ccccc21)[C@H]1CCS(=O)(=O)C1 1539230199 CYESURDRHUCGPQ-ICSRJNTNSA-N 460.625 2.472 30 10 JEEE C#CCN1CCN(c2nnc(CCCc3ccccc3)n2C[C@H](N2CCOCC2)C(F)(F)F)CC1 1539454408 MZQPLYBWSRNILR-QFIPXVFZSA-N 490.574 2.472 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CCO[C@H](CNC(C)=O)C1 1539620078 JAFNNGZSDGUTSG-NNWRFLSQSA-N 455.559 2.276 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccn2C)nnc1N1CCC(NS(=O)(=O)CC)CC1 1539626779 GJIWITFIOMWWLR-XLIONFOSSA-N 462.620 2.173 30 10 JEEE C=C(C)COCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(C(=O)OC)CC1 1539744059 CLTJDHAGVINBFV-UHFFFAOYSA-N 481.557 2.156 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC(=O)N1CCOCC1 1540070930 GFAOZMOLAKVRGJ-GOSISDBHSA-N 462.595 2.264 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@]2(CCSC2)C1 1540861701 CKPPXHPLRWXDRA-QFIPXVFZSA-N 475.018 2.497 30 10 JEEE Cc1ccc(C(=O)NCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@@](C)(C#N)C2)cc1 1542248003 FTVZRRWEESZUSF-CVDCTZTESA-N 470.599 2.049 30 10 JEEE CS(=O)(=O)c1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCSC(F)(F)F)c1 1555793890 CKBWFZHSFSNWMI-ZDUSSCGKSA-N 461.491 2.330 30 10 JEEE C#C[C@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc3nc(O)[nH]c3c2)cc1)C1CCOCC1 1557580062 ROGRXQGZANWRJF-SFHVURJKSA-N 454.508 2.228 30 10 JEEE CC(=O)N1CCN(Cc2cccc(NC(=O)c3cc(S(=O)(=O)CC#N)ccc3F)c2)CC1 1567700536 LHIUAMIRNNBZEA-UHFFFAOYSA-N 458.515 2.039 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCc1cccc(C(N)=O)c1 1587569516 YOUVXSMZULJAQM-INIZCTEOSA-N 479.610 2.346 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2cnnn2C)c1 1587696796 AWRRVVFWHZWABB-IFMALSPDSA-N 476.585 2.430 30 10 JEEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1[C@@H]1C[C@H]1CCC)[C@H]1CCS(=O)(=O)C1 1588035394 TXTFAGZTXVNQCC-IMFGXOCKSA-N 476.624 2.336 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CCc1ccc(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1588064757 OQRBATXWMCQDTN-NRFANRHFSA-N 495.605 2.151 30 10 JEEE C#CCN(c1nnc(COc2ccccc2OC)n1CC1(SC)CC1)[C@H]1CCS(=O)(=O)C1 1588069111 HMQRHLBTYYYXTJ-KRWDZBQOSA-N 476.624 2.388 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCn1ccc2ccccc21 1588385597 ISRLSTHGFPEIEL-OAQYLSRUSA-N 470.599 2.116 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2CC2=CCN(C(=O)OC(C)(C)C)CC2)CC1 1588753020 ZQUWBTJMCBLLHH-HXUWFJFHSA-N 488.633 2.325 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2Cc2ccc(OC)c(OC)c2OC)CC1 1588884482 BRRMWOSGHGWIHT-UHFFFAOYSA-N 455.559 2.441 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)c1ccc([S@@](C)=O)cc1 1589068632 CGNGVPSVDJIZMR-BGVPPVBASA-N 480.681 2.481 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(O)(C(F)(F)F)CC1 1589546408 QBPJPJWPZUAIAD-PMPSAXMXSA-N 478.537 2.055 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC[C@H](C2CCC2)C1 1594497381 GJPIGMWPDIYOMM-WOJBJXKFSA-N 481.663 2.466 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc(-c2cnccn2)n1CCN1CCCS1(=O)=O 1595239669 PXRQWNZOJVJHTE-UHFFFAOYSA-N 453.572 2.006 30 10 JEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1595405250 GOWBQRUOKDGWIF-QUCCMNQESA-N 476.622 2.462 30 10 JEEE N#C[C@]1(F)CCN(c2nnc(C(=O)Nc3ccccn3)n2CCOc2ncccc2Cl)C1 1620345595 GDXMVEIBUZVSGY-HXUWFJFHSA-N 456.869 2.495 30 10 JEEE C=CCN1CC[C@@H](N(C)C(=O)c2ccc3c(c2)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N3)C1=O 1639594989 YDDBGNGJOMPWRY-RTBURBONSA-N 456.543 2.324 30 10 JEEE 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)c1ccc(F)cc1 1641283413 RPPYLXHNZPYRAD-BVBHFADKSA-N 450.532 2.286 30 10 JEEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN[C@H](CN2CCOCC2)c2ccccc2)CC1 1653127191 BJTDJKLDOAOYBM-FGZHOGPDSA-N 453.612 2.120 30 10 JEEE C=CCNC(=O)c1cccc(S(=O)(=O)NCCC2(O)CCN(Cc3ccccc3)CC2)c1 1671191738 GEHDOYJUCOSOMI-UHFFFAOYSA-N 457.596 2.298 30 10 JEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(=O)NC1CCCCC1 1689949088 PVCUZCKMSMNQME-UHFFFAOYSA-N 457.604 2.065 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H](c1ccco1)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1689989991 KTLMQHILTITJIK-HKBOAZHASA-N 489.642 2.475 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@@H](CC)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1689992719 OGAPSHCZLNWBAA-YADHBBJMSA-N 485.654 2.379 30 10 JEEE C#CCN(CC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H](N1CCOCC1)C(F)(F)F 1690068007 TWGCBKZLSGACSL-LJQANCHMSA-N 465.476 2.439 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccccc2OC)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1690098988 YVGVITNIASNXLU-FPOVZHCZSA-N 487.626 2.244 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H]2CCO[C@@H]2C(=C)C)CC1 1690137109 NUFOOMOSWNEZOW-TZIWHRDSSA-N 470.618 2.144 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCC2CCN(CC)CC2)CC1 1690153805 BDECTQUEVOYGMQ-GOTSBHOMSA-N 486.661 2.090 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2cccc(C)c2)nnc1N1CCO[C@H](CNC(C)=O)C1 1690253475 RAYQRWDZKJZMDL-BKULYWANSA-N 469.586 2.488 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(O)CCC1 1690622161 JIICAFURSFWNIC-KRWDZBQOSA-N 451.568 2.140 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)Cc1cnn(C)c1 1690714006 BQRSCJPYTLOKCE-UHFFFAOYSA-N 471.587 2.118 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CCN(c2nccnc2C)CC1 1690730113 WMLORWXJWTUOFL-UHFFFAOYSA-N 497.625 2.191 30 10 JEEE C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N(C)C)CC1)c1nccs1 1692695174 ASTJNMFMSOWQAV-KRWDZBQOSA-N 464.599 2.287 30 10 JEEE CCC[C@@H](C)C(=O)NCCn1c(Cc2ccccn2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1695055207 DFMLNZQGADBALZ-HXUWFJFHSA-N 487.612 2.410 30 10 JEEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H](c2ccco2)N(CC)CC)CCOC1 1696086575 GXPDRQJJERJBOQ-DNVFCKCGSA-N 458.563 2.335 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@@H](c2ccco2)N(C)C)c1 1705504355 UBJJTNNOHQZGCM-FQEVSTJZSA-N 477.569 2.368 30 10 JEEE C#CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCO[C@H](CNC(C)=O)C1 1705531069 XKFGTQAEBQYOIY-QGZVFWFLSA-N 476.375 2.471 30 10 JEEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1705561516 QRKJXUFIAGDDKG-NSHGMRRFSA-N 490.651 2.412 30 10 JEEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccsc1)[C@@H]1CCS(=O)(=O)C1 1705562195 YSCMKDWSVUICCK-GOSISDBHSA-N 490.632 2.085 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1705563443 XZMJHMIKMGTHBS-GDBMZVCRSA-N 497.415 2.378 30 10 JEEE C#CCN(c1nnc(C2CCC2)n1CC(=O)Nc1c(C)cccc1C)[C@@H]1CCS(=O)(=O)C1 1705564161 ATYGZWQSWXUBDC-LJQANCHMSA-N 455.584 2.428 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@H](C)N1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1705565265 HSMOLWKAYKZRAB-ACRUOGEOSA-N 463.648 2.267 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H]1CCCS(=O)(=O)C1 1705589688 VGGKJRCPSKOOQB-HXUWFJFHSA-N 467.595 2.435 30 10 JEEE C=C(C)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1705726051 MKUXDLAPGQELNU-UHFFFAOYSA-N 491.568 2.276 30 10 JEEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(Cc2c(CC)nn(C)c2Cl)CC1 1705728148 ZSXNMFIUAMBNQX-UHFFFAOYSA-N 461.014 2.248 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCc2nn(C)c(=O)cc2C1)C(C)C 1705868866 DQKKXBHROBYQFD-FGZHOGPDSA-N 467.618 2.485 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2(NC(=O)OC(C)(C)C)COC2)C1 1705915850 XUOXDPVOEUFLKO-KRWDZBQOSA-N 499.572 2.000 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCN2CCCO[C@H](C)C2)C1 1705916084 YMYOTQMNNSDJHR-UXHICEINSA-N 469.590 2.208 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCN([C@H](C)c2nccs2)CC1 1705935488 SPWUMKHWAQZFPV-QGZVFWFLSA-N 452.650 2.417 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCc3c(cccc3OC)C2)nnc1[C@]1(OCC)CCOC1 1705939099 SAKJENWUMJDNQS-QHCPKHFHSA-N 476.599 2.102 30 10 JEEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCO[C@H]2CCCC[C@@H]2C)CCO1 1711362837 GROQMUBYGCMVDJ-YYWHXJBOSA-N 452.559 2.363 30 10 JEEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCOCC2(C)C)C[C@H](C)O1 1712283569 GFKMUJNMCMJWJG-RXVVDRJESA-N 454.575 2.168 30 10 JEEE COCC[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1712317850 CGCBPUVPBYKGOZ-XUZZJYLKSA-N 465.558 2.015 30 10 JEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C(=O)N(C)c2ccccc2)C1 1722316500 JCXWOKRKBGHELL-PMACEKPBSA-N 469.611 2.473 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H](OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1722360480 UPDYLWUORFUVTP-RXVVDRJESA-N 474.583 2.014 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(C)CCOCC1 1722383825 KEBAZUCTBMBEBW-LJQANCHMSA-N 457.575 2.476 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ncccc1N(C)C 1722422304 QRORFFGFSCMCHE-IBGZPJMESA-N 482.585 2.468 30 10 JEEE C#CCN1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1722442061 RYNZROKJKKIEJZ-HXUWFJFHSA-N 488.683 2.058 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2cc(Cl)ccc2OC)CC1 1722447308 HMMZVEJYKIQQDY-KRWDZBQOSA-N 457.962 2.458 30 10 JEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)c2ccc(F)cc2)CC1 1722458395 IHKDSPNLENKXSX-LJQANCHMSA-N 470.574 2.134 30 10 JEEE C=C(C)Cn1c(N2CCN(c3ncccc3C(N)=O)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1722526312 UKRNIHGUOXITOE-HDICACEKSA-N 496.616 2.445 30 10 JEEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1722601362 UOEQSRHUHIGMGY-SFHVURJKSA-N 466.652 2.474 30 10 JEEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCCN(C(C)=O)C1 1722632067 GMJDOKWJQNYDKE-SFHVURJKSA-N 460.604 2.076 30 10 JEEE CCN(CC)[C@@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1728366211 FZWMAYRGYSSBCM-NRFANRHFSA-N 478.645 2.291 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC)n2CCCN2C(=O)NC3(CCCC3)C2=O)c1 1740564845 ZLWYEKMWWJXFIA-UHFFFAOYSA-N 477.569 2.151 30 10 JEEE C#CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1740567402 KHPFSEOPTBMYHZ-OAHLLOKOSA-N 469.409 2.357 30 10 JEEE C#CCN(C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@]1(N2CCOCC2)CCSC1 1740605834 XMRIKYHYSBXLOX-QHCPKHFHSA-N 457.600 2.240 30 10 JEEE C#CCN(C)c1nnc(COc2cccc(C)c2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1740613275 AIPDLNRUUSVEIJ-TZIWHRDSSA-N 457.600 2.439 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCCN(C)CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1740618097 BZFBJARBKJRSQR-MRXNPFEDSA-N 473.521 2.357 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@@H]1CCCN1CC)[C@@H]1CCS(=O)(=O)C1 1740618408 HARVHEQPFMMDCB-VQTJNVASSA-N 457.600 2.065 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CCc1cc(F)cc(F)c1)[C@@H]1CCS(=O)(=O)C1 1740625790 PLWLVNMABUGQDV-OAQYLSRUSA-N 471.533 2.412 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1CC1(O)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1740628897 WBVCHCAIFZJSCO-GOSISDBHSA-N 476.574 2.318 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(Cl)c2)n1CCS(=O)(=O)N1CCSCC1 1740647433 OXNAENYALLQTCV-UHFFFAOYSA-N 478.043 2.440 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cnn(C)c1C 1740676706 KORDUBRVRKJNMA-SFHVURJKSA-N 456.547 2.049 30 10 JEEE C#CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCN1CCC[C@@H](C)C1 1740680217 VJONFPMIESHOEI-LJQANCHMSA-N 487.674 2.365 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cc4ccccc4o3)n2CC(=O)N(C)C)n1 1740687398 CQUHINKFUOOVAG-UHFFFAOYSA-N 461.526 2.262 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2Cc2nnc(CC)s2)CC1 1740693174 WQEYUKSEGUBWJJ-UHFFFAOYSA-N 453.572 2.180 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CC2(SC)CCN(C)CC2)CC1 1740704324 LQWNAYCWFSUIQR-UHFFFAOYSA-N 469.659 2.077 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCN2CCOC[C@@H]2C)CC1 1740707039 MFKBHVIHEGUZJX-IBGZPJMESA-N 485.032 2.209 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@]2(C)[C@@H](C1)C2(Cl)Cl 1740811184 NHKRTTQKJSFLIR-WOSRLPQWSA-N 484.837 2.384 30 10 JEEE C=CCn1c(Cc2cn3ccccc3n2)nnc1N1C[C@@H](C(=O)OC)[C@H](CNC(=O)OC(C)(C)C)C1 1740947844 IEWLTPPEZSQFFO-IEBWSBKVSA-N 495.584 2.453 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CCN(C)C(=O)[C@H]1C 1740954425 LWQARTMKFZQBKH-GFCCVEGCSA-N 481.782 2.330 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1740965354 OEFPZPLSQXYEMI-FHWLQOOXSA-N 473.622 2.325 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccnc3)n2CCc2ccc(S(N)(=O)=O)cc2)C1 1740975696 DPZTXAJXHYLSDZ-IBGZPJMESA-N 454.556 2.012 30 10 JEEE CC(C)c1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1CCN1CCCS1(=O)=O 1741353573 FNRUOLROIHSZSZ-UHFFFAOYSA-N 458.588 2.356 30 10 JEEE COc1c(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@@H](C)CC#N)oc2ccccc12 1748506998 FUFJNHMAPPKZAH-KXBFYZLASA-N 488.570 2.152 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1749129744 HQMZWJXPPKJJLA-GGPKGHCWSA-N 467.636 2.014 30 10 JEEE C=CCNC(=O)Cn1c(N(C)Cc2cc(C)on2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1749681421 ANTUZWWTRZMJOE-IYBDPMFKSA-N 459.551 2.284 30 10 JEEE CC(C)N(C)C(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCO[C@H]2C)CC1 1750873106 DLWDFHJNVIUSNP-AVRWGWEMSA-N 466.586 2.440 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCCSC2)n1 1760252852 SEWCFDDXRREHQB-LJQANCHMSA-N 471.631 2.140 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CCNC(=O)c2cccc(C)c2)CC1 1760270074 IRZNEQPTMOCLID-UHFFFAOYSA-N 450.587 2.181 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1760517446 MNXMIUXYJSKMGW-FQEVSTJZSA-N 493.337 2.180 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1760551869 UWJNRLMLUDJJDY-UHFFFAOYSA-N 494.621 2.466 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@@H](C)OC 1764182962 HGQHRFUBHIHSRP-GOSISDBHSA-N 453.591 2.425 30 10 JEEE C=CCOC(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2ccc([N+](=O)[O-])c(OC)c2)cc1 1859013453 WXFBVFCKYWYKGK-UHFFFAOYSA-N 463.468 2.177 30 10 JEEE COc1cc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCNC(C)=O)cc(Cl)c1O 1862599505 HTBZJNMGSUMKAP-SFHVURJKSA-N 460.870 2.474 30 10 JEEE CSCC[C@H](NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(=O)N1CCC(O)CC1 1868782109 DBXXZWHBUCIDFN-RBUKOAKNSA-N 464.657 2.246 30 10 JEEE C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1c(C#N)nnn1-c1ccc2c(c1)C(=O)N(C)C2=O 1870146108 DLFWJVOHPFBKDB-LLVKDONJSA-N 450.842 2.424 30 10 JEEE C=CCn1cc(OCC(=O)NC(C)C)c(=O)cc1CN1CCN(c2ccccc2OC)CC1 1870509948 OVHBNKXDNZMMFV-UHFFFAOYSA-N 454.571 2.269 30 10 JEEE C#CCOc1cn(CCc2ccc(S(N)(=O)=O)cc2)c(CN(C)Cc2ccccc2)cc1=O 1870561420 MFOCLQFXVUKQES-UHFFFAOYSA-N 465.575 2.382 30 10 JEEE C=CCn1c(C(=O)NCCCN(CC)CC)cc2c(N3CCN(c4ncccn4)CC3)ncnc21 1873593970 ZCZSRAVDFUWKAE-UHFFFAOYSA-N 477.617 2.196 30 10 JEEE O=C(NCC#CCN1CCc2ccccc2C1)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 1891432747 RYVIXHKNVZEUCM-QFIPXVFZSA-N 469.582 2.404 30 10 JEEE COCC(CNC(=O)OC(C)(C)C)(COC)Oc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2232322074 XVHCOFAIOFTHNO-UHFFFAOYSA-N 452.357 2.316 30 10 JEEE Cn1nc(C(=O)N2CC[C@H]2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2255650437 ZLOPJBWESJEXHM-LBPRGKRZSA-N 454.764 2.112 30 10 JEEE CC(C)(C)OC(=O)NCc1nc(=NC(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)s[nH]1 2255813953 SJYHNCFHNDSJPO-UHFFFAOYSA-N 450.326 2.129 30 10 JEEE C[C@@H](c1cscc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)[C@@H](CO)NC(=O)OC(C)(C)C 2256614194 LMCXUVBVFKDAKG-XJKSGUPXSA-N 454.398 2.452 30 10 JEEE C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)n1 2256619496 ZJBPWHFNERTYPH-SMDDNHRTSA-N 455.748 2.247 30 10 JEEE Cn1cc(C(=O)NC2CC3(C2)C[C@@H]3NC(=O)OCc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)n1 2267126975 FDZJDYPMUBMTIP-HTHJYTGDSA-N 480.374 2.297 30 10 JEEE CC[C@@H](CN(CC)C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2267177866 UUMIFJNANYSYJL-HNNXBMFYSA-N 450.389 2.485 30 10 JEEE CC(C)(C)OC(=O)NCC(F)(F)CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2267374577 UCFHBGXMKDDVMG-UHFFFAOYSA-N 476.351 2.424 30 10 JEEE CCc1nc(C(=O)N2CC[C@@](C)(NC(=O)C(F)(F)F)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2267490302 ZKJZIQFVIPWJPD-GOSISDBHSA-N 461.315 2.288 30 10 JEEE CC(C)(C)OC(=O)N1[C@H](CNC(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)C[C@@H]2OCC[C@H]21 2281802743 OBHMZZQUARLVPM-IMJJTQAJSA-N 479.408 2.339 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2CN(C(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)C[C@@H]21 2281926176 KXWXHCTVROQGJB-HYVNUMGLSA-N 460.384 2.474 30 10 JEEE Cn1cc(C(=O)N[C@@H]2CCCC23CN(C(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)n1 2281963365 KQNBQMGHNPEHAF-MRXNPFEDSA-N 460.384 2.239 30 10 JEEE Cc1nn(C)c(C(=O)N[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2(C)C)c1B1OC(C)(C)C(C)(C)O1 2281977959 WJFDIJMTLUWNAA-GJZGRUSLSA-N 462.400 2.449 30 10 JEEE CC(C)[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2282029659 VMSCKTZSGZVRQA-QGZVFWFLSA-N 460.384 2.493 30 10 JEEE Cn1nc(C(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2282040865 OQPDUTDYWCIGBK-KRWDZBQOSA-N 474.798 2.004 30 10 JEEE CC1(C)OB(c2cncc(S(=O)(=O)NCCCOCCOCc3ccccc3)c2)OC1(C)C 2282354599 SRUPVZPSGVOWKK-UHFFFAOYSA-N 476.404 2.283 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 2282492834 SZFBWASWZRGNDX-IYBDPMFKSA-N 482.408 2.328 30 10 JEEE CN(C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2282552787 SIERAOXTTHOKED-INIZCTEOSA-N 462.400 2.438 30 10 JEEE Cc1nn(C)c(C(=O)N2C[C@@H]3C[C@@H]3[C@@H]2CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2282568633 FVGXWCYWFIRCPH-JYJNAYRXSA-N 460.384 2.013 30 10 JEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1nccc(C)c1B1OC(C)(C)C(C)(C)O1 2282570376 GGYRBNNRPCRQOD-HZPDHXFCSA-N 461.368 2.053 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCOC[C@H]1NC(=O)OCc1ccccc1 2282589618 PSTYGMHZTDPMMI-WOJBJXKFSA-N 498.389 2.016 30 10 JEEE Cc1c(C(=O)N(C)C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282595385 SZFNWTZWESIBEE-INIZCTEOSA-N 462.400 2.357 30 10 JEEE C[C@@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2CN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2282626994 FRXRHDLDDKJRHZ-OAGGEKHMSA-N 460.384 2.047 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CC[C@@H](C)[C@H](NC(=O)C(F)(F)F)C1 2282690005 PAXNUFDFPLXKMX-UKRRQHHQSA-N 457.302 2.336 30 10 JEEE CC(C)(C)OC(=O)N[C@]12C[C@@H]1CN(S(=O)(=O)Cc1ccc(B3OC(C)(C)C(C)(C)O3)cc1)C2 2282843135 ITYRQHVFGCHFDY-HXOBKFHXSA-N 478.420 2.415 30 10 JEEE CC1(C)OB(c2cccc(S(=O)(=O)N3CCC[C@@H](CNC(=O)C(F)(F)F)C3)c2)OC1(C)C 2282863358 QQOXRSKCICLKHR-AWEZNQCLSA-N 476.326 2.065 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC(C)(NC(=O)OC(C)(C)C)C1 2282876801 IZWIDDBAHQRLQY-UHFFFAOYSA-N 482.408 2.282 30 10 JEEE C[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1O 2282883146 WMBZQDLIHQEAIL-WFASDCNBSA-N 456.270 2.363 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)ccc1F 2283983799 OXDKVMXWDQZCKI-SFHVURJKSA-N 464.343 2.377 30 10 JEEE CC(C)(C)OC(=O)NCc1cn(CCNC(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)nn1 2287191784 JYHXGMKGINZOKS-UHFFFAOYSA-N 477.396 2.094 30 10 JEEE Cc1ccc(CNC(=O)[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2296184105 LBGNDRQYPRVXKM-DEOSSOPVSA-N 460.380 2.282 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1NC(=O)[C@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C 2360551793 SNUGCLHAZFOSCA-KRWDZBQOSA-N 482.408 2.171 30 10 JEEE C=CCn1cc(C(=O)NCC(OC)OC)c(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc21 20240486 SXIRLAAIFLTBSQ-UHFFFAOYSA-N 477.583 2.101 30 10 JEEE CCNS(=O)(=O)c1ccc(NC(=O)CSc2n[nH]c(N/N=C(\C)c3ccccc3O)n2)cc1 59830510 UVMZHOSCQQAREZ-ZMOGYAJESA-N 489.583 2.375 30 10 JEEE C#CCN(C(=O)c1ccc(NS(=O)(=O)c2cc(C)ccc2C)cc1)[C@H]1CCS(=O)(=O)C1 729330993 LAUGUHKNTIBIEV-FQEVSTJZSA-N 460.577 2.367 30 10 JEEE C#CCN(CC(=O)O)C(=O)[C@@H]1CO[C@@H](CNC(=O)OCC2c3ccccc3-c3ccccc32)C1 757489539 HZIOHLIAOSLCGD-ZWKOTPCHSA-N 462.502 2.477 30 10 JEEE COc1cc(NC(=O)CCSc2nnc(NN=Cc3cccc(O)c3)n2N)cc(OC)c1 1083954616 VNMZKCOZIZWZGS-UHFFFAOYSA-N 457.516 2.282 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2Cc2csc(COC)n2)c1 1286309769 UQPDOZOAGQMGKH-UHFFFAOYSA-N 493.593 2.222 30 10 JEEE C#CCN(c1nnc(-c2cc(C)nc3ccccc23)n1CCC(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 1286381861 HQCOICGYSAFRBM-LJQANCHMSA-N 494.621 2.343 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@H](F)COC)[C@@H]1CCS(=O)(=O)C1 1286385255 LVGQEHAKCHMUIW-GVDBMIGSSA-N 468.526 2.168 30 10 JEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1CC1(O)CCCC1)[C@H]1CCS(=O)(=O)C1 1286391061 GACLWWDGQOBTAJ-FQEVSTJZSA-N 472.611 2.004 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H](OC)c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1286391278 CHBZVIBFVKWTRY-FGZHOGPDSA-N 483.569 2.417 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CCN1CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1286394536 JFCWEXYXQONHBW-TZIWHRDSSA-N 489.617 2.355 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(Br)cc2)n1CCNC(=O)c1cc[nH]n1 1286421615 PWXGGCUTDLTURU-UHFFFAOYSA-N 466.343 2.324 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC(F)(F)c2ccccc2)CC1 1286469884 NPOBTMUEQHJJFN-UHFFFAOYSA-N 451.481 2.473 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2Cc2nncn2C)CC1 1286487603 GTPRPWKTYCDTJW-LJQANCHMSA-N 476.585 2.178 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2C[C@H](C2CC2)N(C)C)CC1 1286491324 NEAIZGPUDMAOLF-JOCHJYFZSA-N 464.614 2.184 30 10 JEEE C#CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1286499716 KCMXGBYEZKRXMP-IBGZPJMESA-N 479.404 2.443 30 10 JEEE C#CCSCCn1c(CCOc2ccccc2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1286509009 SFGIXOAYOPBEPC-ZJSXRUAMSA-N 496.681 2.255 30 10 JEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)NC(=O)OC(C)(C)C)CC1 1286652116 SNEBKMRAJUOXHJ-CABCVRRESA-N 456.613 2.204 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCC[C@H]2CCCCO2)CC1 1286663327 LEAXVGVNKRMHAF-UXHICEINSA-N 467.636 2.363 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCCCO2)n1CC1(O)CCS(=O)(=O)CC1 1286763989 BJQUAMSYVZSUHI-LJQANCHMSA-N 464.588 2.288 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 1286782435 UWOIQWAIPJHPPS-UHFFFAOYSA-N 466.502 2.202 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1cccc(OCC(N)=O)c1 1300327306 AYLATFDXPNXPNP-YTQUADARSA-N 482.585 2.419 30 10 JEEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1300338667 FHERALMYIBDNBZ-UHFFFAOYSA-N 471.521 2.461 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1Cc1cnc(C)s1)[C@H]1CCS(=O)(=O)C1 1300483990 QGEVOGSMYRRVJI-KRWDZBQOSA-N 487.607 2.402 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)Nc1ccc(F)cc1 1300537088 AANPFKLVTWXSPH-FQEVSTJZSA-N 496.543 2.437 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2CC2(N(C)C)CCC2)CC1 1300731335 OUUCOHNLZOAQMA-UHFFFAOYSA-N 468.577 2.446 30 10 JEEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1300778256 QKRKRWGCWWSJOX-GUDVDZBRSA-N 488.658 2.330 30 10 JEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 1301196636 GNULAQSAQGREHO-HOTGVXAUSA-N 456.613 2.300 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCCN(c3ccccc3C#N)CC2)n1C[C@]1(C)CCCO1 1303851409 DJRAELWQXJGGGN-JPYJTQIMSA-N 487.630 2.046 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2CC2CCN(C(C)=O)CC2)c1 1358901977 BTTPYEMAWOQFQN-OAQYLSRUSA-N 464.570 2.097 30 10 JEEE C#CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCCN(S(C)(=O)=O)CC1 1358905991 RJTPDAPVAPWTSO-UHFFFAOYSA-N 469.409 2.311 30 10 JEEE C#CCCCCn1c([C@H]2CCOC2)nnc1N1CCCN(Cc2nc([C@@H](C)OC)no2)CC1 1358912545 SVZINMVLMDNKJX-MOPGFXCFSA-N 457.579 2.388 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCCn1nc(C)cc1C)[C@H]1CCS(=O)(=O)C1 1358962954 ZQBRAACXWYQNPY-FQEVSTJZSA-N 467.599 2.179 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1Cc1ccncc1Cl)[C@H]1CCS(=O)(=O)C1 1358964676 DNZURLCVNUDRON-KRWDZBQOSA-N 477.015 2.357 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CCCCC1(F)F)[C@@H]1CCS(=O)(=O)C1 1358967994 XDMNUVLGFAAPTB-MANSERQUSA-N 486.585 2.454 30 10 JEEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(C)cc1OCC(F)(F)F 1358969566 ROMJWOMSLHAMNX-INIZCTEOSA-N 483.516 2.259 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN1C(=O)OC(C)(C)C 1358994183 HAHJUDSLRDTBDV-RTBURBONSA-N 475.615 2.043 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CCn2cc(Br)cn2)CC1 1359045979 ZHVWKYITEDNRQW-UHFFFAOYSA-N 462.396 2.102 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2CCN(CC)C2CC2)CC1 1359046568 XBXJCTPZCPQVTB-UHFFFAOYSA-N 452.578 2.458 30 10 JEEE C#CCSCCn1c(-c2cccn2C)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1359053971 GEHLSURAZAMPDA-SIKLNZKXSA-N 469.659 2.029 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](CCc2ccccc2)C1 1359056366 DFYWJQDJJRAUMW-RTWAWAEBSA-N 474.652 2.385 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](CN(CC)CC(F)(F)F)C1 1359056511 GPRLAOZCZRTNGU-IAGOWNOFSA-N 493.621 2.257 30 10 JEEE C#CCSCCn1c(COc2ccccc2OCC)nnc1N1CCN2CCOC[C@@H]2C1 1359061847 NRHOQBZUNRCSGO-IBGZPJMESA-N 457.600 2.143 30 10 JEEE C=C(Cn1c(CN2CCCC2=O)nnc1N1CCC(NS(=O)(=O)CC)CC1)c1ccccc1 1359139834 GBIWQMDFDJONQR-UHFFFAOYSA-N 472.615 2.022 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCC(CN2CCOCC2)CC1 1359296173 ZLLOYYGBGNMTQN-UHFFFAOYSA-N 452.603 2.358 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN([C@@H](C)c2nccs2)CC1 1359296582 NSWLYISEXPPKJK-KRWDZBQOSA-N 462.583 2.459 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 1359296628 PHIKQNQZAVHQCG-UHFFFAOYSA-N 476.585 2.496 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@@H](OCCC)CC1 1359298898 OVPJZCJMTWHKEB-GOSISDBHSA-N 479.585 2.280 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCC1CCOCC1 1359300453 BZOMRDWOWLPMOV-IBGZPJMESA-N 492.621 2.142 30 10 JEEE CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(C#N)cc3)CC2)cc1 1360900397 FJIYPUPVUIOYFL-UHFFFAOYSA-N 455.536 2.452 30 10 JEEE C#CCN1CCCN(C(=O)c2ccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)cc2)CC1 1444354384 MLUROUUOYHWXQT-UHFFFAOYSA-N 455.536 2.040 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCC(=O)NCc1ccccc1 1496839707 AITPJZATUACMNN-HSZRJFAPSA-N 455.538 2.345 30 10 JEEE CCS(=O)(=O)N(C)CCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@](F)(C#N)C1 1503269900 HDADURKZNLWVQR-CBGDNZLLSA-N 470.615 2.310 30 10 JEEE C#CCN(c1nnc(-c2ccc3ccccc3n2)n1CC(C)(C)C(=O)NCC)[C@H]1CCS(=O)(=O)C1 1507629075 JKXMVWBENFUKOC-IBGZPJMESA-N 494.621 2.282 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1CCOc1c(C)cccc1C)[C@@H]1CCS(=O)(=O)C1 1507633575 TUXFRTXFVDCHPB-VQTJNVASSA-N 458.584 2.105 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@H](C)N(C)C1CC1)[C@@H]1CCS(=O)(=O)C1 1507634110 LCUCLBQEEUFZDK-SIKLNZKXSA-N 455.628 2.287 30 10 JEEE C#CCN1CCN(c2nnc(CC(C)C)n2C[C@@H]2C[C@@H]3COC[C@@H]3N2C(=O)OC(C)(C)C)CC1 1507730171 NQAZFKHLRLNVFG-HKBOAZHASA-N 472.634 2.256 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2CCCO[C@@H]2CCOC2)CC1 1507743101 ZGSCEMPVHCXHBZ-OAQYLSRUSA-N 469.561 2.169 30 10 JEEE C=C(Br)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(CC)CCS(C)(=O)=O 1507783153 CIHAQFKOSUFJNX-UHFFFAOYSA-N 498.451 2.232 30 10 JEEE CCOCc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@H]1CCOC[C@H]1OC 1516600410 AYMJFOYLAQPBNR-FGZHOGPDSA-N 454.575 2.060 30 10 JEEE C[C@H]1CN(CCN(C)c2nnc(-c3ccc(C#N)cc3)n2CCC2(O)CCOCC2)C[C@@H](C)O1 1520825292 GFTXWRRLBHJFCK-BGYRXZFFSA-N 468.602 2.294 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCCc1cnn(C)n1 1539257744 NQRSVDPVDXOCEZ-UHFFFAOYSA-N 469.553 2.070 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(OCCC)cc2)CC1 1539477645 UHRSMGMINUVCPK-UHFFFAOYSA-N 461.570 2.482 30 10 JEEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2ccccc2)CC1 1539599553 HMEXYYYWHWVJHM-KRWDZBQOSA-N 494.415 2.051 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 1539626206 BSVPDRLNNNOEEF-PZJWPPBQSA-N 492.646 2.131 30 10 JEEE C=CCC(C)(C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1539907176 XQPCNEXIXGKWNM-UHFFFAOYSA-N 496.612 2.492 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCC(=O)NCCC)C1 1540892661 PTMGUHSZHXAYGE-RTBURBONSA-N 492.621 2.284 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1540899260 ISCDSAUJJPBCAH-DOTOQJQBSA-N 498.696 2.356 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)[C@@H]1CCOC1 1540902238 DTALBMITQPJUDV-GOSISDBHSA-N 483.635 2.219 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1540908204 RSJGWPSEEZFEEP-JOCHJYFZSA-N 484.626 2.314 30 10 JEEE CC[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)C1 1546664331 HLUXGPHVVUASHU-SFHVURJKSA-N 458.588 2.391 30 10 JEEE COCCNC(=O)[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CCN1C(=O)NC1CCCC1 1548372401 BMQULXJTGXMRJI-IBGZPJMESA-N 467.492 2.482 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1(NC(=O)OC(C)(C)C)COC1 1588113844 SSIGNMGQXGBROX-UHFFFAOYSA-N 479.537 2.083 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC(=O)NCC1CC1 1588219617 WVGPPUWDUJBSBR-UHFFFAOYSA-N 471.565 2.054 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2Cc2ccnc(OC(F)F)c2)CC1 1588913174 AZDWVGHYWRSGDK-UHFFFAOYSA-N 469.496 2.294 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1588962247 YNHHJEDVLWHRNQ-FQEVSTJZSA-N 496.587 2.221 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCCc3ccccc3)n2Cc2ccc(C)n(C)c2=O)CC1 1588962347 ZXHMUKVAVNBIJQ-UHFFFAOYSA-N 486.620 2.475 30 10 JEEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F 1594783958 MUBBRYJZBXRXJQ-UHFFFAOYSA-N 455.485 2.496 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1595831227 NYUYANPMAXRDRQ-UAFMIMERSA-N 482.647 2.182 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1595831344 PJDGGKFBIBYBDU-SFHVURJKSA-N 494.589 2.371 30 10 JEEE CC1(C)CCCN(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCC(OCC(N)=O)CC2)C1 1611785017 DRMNCQNEOJVQED-UHFFFAOYSA-N 465.602 2.409 30 10 JEEE CO[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2cc(C#N)ccn2)CC1)C(C)C 1618968867 BCZAWIJBUIYAGF-LJQANCHMSA-N 475.557 2.190 30 10 JEEE C=CCNC(=O)CNC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N1CCCCC1 1622820349 MUAKYHCCPLHJRZ-UHFFFAOYSA-N 451.593 2.131 30 10 JEEE C=CCN(C(=O)c1cnn2c1C[C@H](CNC(C)=O)CC2)[C@H](Cc1ccccc1)C(=O)OCC 1625220128 FGNIKYRZBWVTFA-NFBKMPQASA-N 452.555 2.384 30 10 JEEE C#CCN(C(=O)c1cc(Br)c(O)c(Br)c1)[C@H]1CCS(=O)(=O)C1 1626435244 VAZJTIIKTVPCRR-JTQLQIEISA-N 451.136 2.180 30 10 JEEE CC[C@@H](C#N)Oc1cc(CNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)ccc1OC 1629005782 GMIWTKFLGWBUHL-INIZCTEOSA-N 456.524 2.121 30 10 JEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(Cc3ccccc3OCC)C[C@@H]2C)c1 1634900688 GQUFFQYFUZGZFM-IBGZPJMESA-N 455.580 2.343 30 10 JEEE C=CCS(=O)(=O)CCNC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2ccccc2)c1 1641413949 YBXGFHWLFRPZQV-UHFFFAOYSA-N 456.973 2.149 30 10 JEEE C=CCN(c1ccccc1OC)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2COC[C@@H]2O)c1 1643218452 DGZCTTXBSKVKHG-MJGOQNOKSA-N 466.943 2.219 30 10 JEEE C=CCNC(=O)c1cccc(S(=O)(=O)N2C[C@@H](OCC)[C@H](CNC(=O)OC(C)(C)C)C2)c1 1655903865 UYGDBZGQCFZMBJ-IEBWSBKVSA-N 467.588 2.153 30 10 JEEE C#CCN([C@@H]1CCOc2ccc(Br)cc21)S(=O)(=O)[C@H]1CC(=O)N(C2CC2)C1 1661573619 CCKVKJBWUJWKON-DOTOQJQBSA-N 453.358 2.301 30 10 JEEE N#Cc1ccc(S(=O)(=O)NCC(=O)Nc2ccc3c(c2)OCCO3)cc1Br 1664812410 BAHPMAHSZPKTOB-UHFFFAOYSA-N 452.286 2.009 30 10 JEEE C=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 1681943780 SVCWCUXWRSOCNH-LFDJNIOPSA-N 464.563 2.192 30 10 JEEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NC1CC2(CC(NC(=O)OC(C)(C)C)C2)C1 1685795985 IDYVOBKYMPDIPH-PTIANWJNSA-N 455.563 2.404 30 10 JEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@H](SC)C1 1689892372 DHBZTEZHSQKDIP-ROUUACIJSA-N 455.650 2.136 30 10 JEEE C#CCCCn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1689938306 HLFRZMNMAHCRHY-GOSISDBHSA-N 451.980 2.442 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@](C)(O)C1CC1)[C@H]1CCS(=O)(=O)C1 1689980894 ZBIFHQUMVVBRRI-BTCOZLQPSA-N 476.574 2.345 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1689998540 OYNHUPILKXJTAC-UAFMIMERSA-N 464.632 2.248 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)Oc1cccc(OC)c1 1690047374 PMQIMILVGATSBZ-RBUKOAKNSA-N 456.568 2.119 30 10 JEEE C#CCN(CC#CC)c1nnc(Cc2c(F)cccc2F)n1C[C@@H]1CC(=O)N(CCOC)C1 1690048974 VFRFQEOVKYLOCH-GOSISDBHSA-N 455.509 2.105 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc[nH]3)n2C[C@H]2CCCN(C(C)=O)C2)n1 1690108976 BHXVFLUSBSGFJC-FQEVSTJZSA-N 464.574 2.014 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CCn2cncn2)CC1 1690115717 QJDWWDRBSHSQCK-UHFFFAOYSA-N 455.364 2.063 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2C/C=C/CC)CC1 1690138220 WDQRKDHVUDUNLW-VOTSOKGWSA-N 483.642 2.479 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC[S@@](=O)CC 1690196083 XLZMGOIWPCVGEQ-UKPGIYTDSA-N 462.645 2.307 30 10 JEEE C=CCCOCCn1c(N2C[C@H](C)O[C@]3(CCCOC3)C2)nnc1[C@]1(OCC)CCOC1 1690511247 VAMRZEIZRHNXGB-PMOQBDJRSA-N 450.580 2.297 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@@H]1c1cnn(C)c1 1690662225 VIPDEUJTWJYHTJ-HXUWFJFHSA-N 451.531 2.340 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N(C)Cc1cc(C)on1 1690669199 XSKRKKGUJDFNKZ-UHFFFAOYSA-N 476.541 2.300 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1690676226 UBNZJODVNAPCEI-YADARESESA-N 455.559 2.160 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2cccc3[nH]ccc23)C1 1690687056 XYIUHKCIDVFDNF-FUHWJXTLSA-N 458.588 2.394 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N(C)Cc1nc(O)c2sccc2n1 1690724058 HHNANHHYVGWEGD-AWEZNQCLSA-N 478.600 2.120 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H](N2CCCC2=O)C1 1690731393 JWJLBHHMJNPAOA-QKNQBKEWSA-N 493.674 2.389 30 10 JEEE C=CCSCCn1c(CCOc2ccccc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1690749569 IHWUPQRNNQONJY-UHFFFAOYSA-N 452.584 2.475 30 10 JEEE CC[C@H]1CCCCN1CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)C1 1694857368 DCVHUQWICLNHSM-FQEVSTJZSA-N 451.575 2.272 30 10 JEEE COCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1698028563 GRPBCEYQCIJSGR-LJQANCHMSA-N 453.591 2.088 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1c(F)cccc1Cl 1705531948 BCIBESZBPYPAML-SFHVURJKSA-N 469.970 2.453 30 10 JEEE C#CCN(c1nnc(C(C)C)n1CC1(CN2CCOCC2)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1705560416 KPOVVEZEKZLOCG-OAQYLSRUSA-N 477.675 2.311 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCN(C)C1CCCC1)[C@H]1CCS(=O)(=O)C1 1705563532 ZFGCQDGHPBGBQL-QFIPXVFZSA-N 466.611 2.318 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1N(C)CCCC1(C)C 1705580327 IIDJCRLMAXKMHN-OAQYLSRUSA-N 457.582 2.385 30 10 JEEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H]1CCCS(=O)(=O)C1 1705581517 DIAXCPJTSMDVQB-IBGZPJMESA-N 489.642 2.290 30 10 JEEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1Cc1cc(F)ccc1N1CCOCC1 1705606183 XOMSHTLKLSMSGX-DEOSSOPVSA-N 457.550 2.414 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCCS1(=O)=O 1705618561 LYUKTSJPYZTDKG-HXUWFJFHSA-N 473.574 2.260 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC(C)(C)OC(C)(C)C1 1705904317 LYAGNMXXEJVXNQ-QGZVFWFLSA-N 492.621 2.283 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCc2c(ccnc2N(C)C)C1 1705908559 SKMAIYJCDZNHPQ-UHFFFAOYSA-N 465.533 2.322 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1705908986 ZEVKONKXDKCICO-SFHVURJKSA-N 463.629 2.194 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CC[C@H](C(F)F)N2CCOCC2)C1 1705925727 SXPWGEMLGAHPEG-GUDVDZBRSA-N 455.550 2.309 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1705932379 DGSJPPMMUKFRBE-IAGOWNOFSA-N 454.618 2.112 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCCN(c2ccccc2C#N)CC1 1705937110 JAHYJXPRKCSZRB-UHFFFAOYSA-N 491.621 2.453 30 10 JEEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](C)S[C@H](C)C1 1705937704 BXIBQRSERFEZRP-HUUCEWRRSA-N 469.658 2.201 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1CC(=O)Nc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1722368724 VKAYVBNLSUBWPT-GOSISDBHSA-N 461.563 2.271 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1CC(C)(C)CN(C)C)[C@@H]1CCS(=O)(=O)C1 1722370337 NFMHDMGNLUJAAO-GOSISDBHSA-N 477.606 2.211 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCc1c[nH]nc1C 1722394544 WJTKDKAHWZSJLJ-UHFFFAOYSA-N 454.538 2.319 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc[nH]3)n2CC2CCN(C(C)=O)CC2)n1 1722427817 OJUQASSDYFPBCM-UHFFFAOYSA-N 464.574 2.014 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(CN3CCCCC3)cc2)CC1 1722429359 KMYFHRNUPMXKMB-UHFFFAOYSA-N 463.630 2.206 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H](C)CNC(=O)OC(C)(C)C)CC1 1722450399 HAKBPLREPLPIQU-PKOBYXMFSA-N 474.606 2.256 30 10 JEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCNC(=O)c2ccc(C)c(F)c2)CC1 1722575081 WZDGPMLSDJHGDV-INIZCTEOSA-N 478.594 2.168 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1722703348 ZWSPTNCQXDHEML-RUZDIDTESA-N 468.602 2.077 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCC2(O)CCOCC2)C1 1722712163 ZYOKYDLURQXBFW-XXBNENTESA-N 450.580 2.032 30 10 JEEE CC(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)C(C)(C)C)CC1 1722826597 FZBFNUFGZXBBSL-UHFFFAOYSA-N 488.614 2.047 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1C[C@]1(O)CCSC1)[C@@H]1CCS(=O)(=O)C1 1740619401 IJLYYASKCFZCSD-YLJYHZDGSA-N 467.016 2.093 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1740633721 QWQBWYGPMKYYPQ-VXKWHMMOSA-N 462.579 2.094 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCN2CC=CCC2)CC1 1740701295 BGHKHSDLPLMCGC-UHFFFAOYSA-N 453.978 2.221 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(CC(F)(F)F)CC1 1740763229 ZRKVACMUNOEDSS-KURKYZTESA-N 491.580 2.236 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1c(Cl)c(C(F)(F)F)nn1C 1740941698 QGZKTNUALMALDC-LBPRGKRZSA-N 496.943 2.273 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCCN(C(C)C)CC1 1740953278 ABWLHJWLJCQSGW-UHFFFAOYSA-N 450.385 2.258 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1740955777 GDJFDFPSPSZDIO-AWEZNQCLSA-N 482.404 2.023 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1740989852 ASEZHEPOQBQPQQ-UHFFFAOYSA-N 469.546 2.211 30 10 JEEE CNC(=O)[C@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)c2cccs2)C1 1748130042 CSOCESHCTAFFDA-HSZRJFAPSA-N 463.567 2.271 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 1748635929 ZOMSSVDQGLWWID-UNMCSNQZSA-N 450.587 2.263 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)c(OC(F)F)c1 1748671967 ORICIDUXRJKKQM-DZGCQCFKSA-N 454.499 2.296 30 10 JEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1748790503 YZDRZAHNPZBCRG-JXQFQVJHSA-N 475.590 2.384 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1cccc(CN(C)CC)c1)[C@@H]1CCS(=O)(=O)C1 1748812080 PJICGWOLDJUQJY-HSZRJFAPSA-N 478.622 2.467 30 10 JEEE C#CCN(c1nnc(C2CCCC2)n1C[C@@H](C)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1748814216 BBTBRYFSRNMRIY-SJLPKXTDSA-N 465.620 2.476 30 10 JEEE C#CCN(c1nnc(C2CCCC2)n1Cc1cccc(C(=O)NCC)c1)[C@H]1CCS(=O)(=O)C1 1748814567 GQFGOUYZFFMRBW-NRFANRHFSA-N 469.611 2.360 30 10 JEEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1Cc1ccc(C)nc1)[C@H]1CCS(=O)(=O)C1 1748823889 DUHXQROWQKUPBV-FQEVSTJZSA-N 481.578 2.244 30 10 JEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ncccc1N(C)C 1748846939 MZBBHNTXNJOLFI-UHFFFAOYSA-N 455.570 2.034 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H](OC)C(C)(C)C)CC1 1749016069 YMYLNMVXCFWWSQ-IBGZPJMESA-N 486.642 2.297 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1749363846 JFKFEHGAPKRFIS-HLAWJBBLSA-N 471.650 2.210 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCSC1 1749590608 BOEWFRIWDGZUAJ-MJGOQNOKSA-N 481.644 2.192 30 10 JEEE COCC[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(Cn2cncn2)CC1 1749601696 AXMKUVRYAIVMJD-HSZRJFAPSA-N 450.547 2.112 30 10 JEEE C#CCCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1760129825 AHTWCLVEADJTJJ-GOSISDBHSA-N 482.560 2.288 30 10 JEEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1CCc1cccc(C(=O)N(C)C)c1 1760178001 VJPSMGMCDFIOQE-UHFFFAOYSA-N 450.568 2.284 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCN(C)C1CCCC1)[C@@H]1CCS(=O)(=O)C1 1760182732 IPYQVDWSGXWUSO-OAQYLSRUSA-N 486.598 2.354 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1CCC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1760185397 WRNXAIHUSBYVDK-LJQANCHMSA-N 488.610 2.406 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCCOC(F)(F)F)CC1 1760261645 PAUKTZSXPRGIMO-SFHVURJKSA-N 451.449 2.472 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CCOC)[C@@H](CCC)C1 1760333388 DYFYZSVYNXCVAK-AQCRLBJHSA-N 460.623 2.148 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1nc(O)c2ccccc2n1 1760357119 DZQIKHZDELAEMC-MRXNPFEDSA-N 472.571 2.058 30 10 JEEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](Cc2ccccc2)C1 1760357477 JRMUNOSBXIEOSW-VXKWHMMOSA-N 489.642 2.273 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)cc1 1760529895 ILYIOYDIQGSGFZ-LJQANCHMSA-N 461.588 2.043 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(NC(C)C)CC1 1760554567 HHLQCIGWLPSCOZ-OAQYLSRUSA-N 475.615 2.358 30 10 JEEE C=CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN2CCOC[C@@H]2C1 1760559010 HNKKTJYCJPDMAM-IBGZPJMESA-N 477.034 2.302 30 10 JEEE CC[C@@H](C)NC(=O)CCn1c(-c2cnccn2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1762040910 GAHMHEQEJVRLIH-LJQANCHMSA-N 473.585 2.234 30 10 JEEE CC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C)C(=O)C1)NC(=O)OC(C)(C)C 1762343273 DRDCQMPQZZORFD-GOSISDBHSA-N 453.547 2.398 30 10 JEEE CCc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@H](N1CCOCC1)C(F)(F)F 1764932106 GRYJYUHMPZVLLB-FQEVSTJZSA-N 477.535 2.297 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2ccccn2)n1CCC(=O)N1CCOCC1 1769818934 FXDMISCDNGTQKW-UHFFFAOYSA-N 475.553 2.114 30 10 JEEE CS(=O)(=O)CC1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(CCC(N)=O)CC2)CC1 1771351913 CZOUIQITFNGTBL-UHFFFAOYSA-N 470.599 2.123 30 10 JEEE Cn1cccc(C(=O)N2CCN(Cc3cccc(C(=O)Nc4ccccc4C#N)c3)CC2)c1=O 1860851147 DTZMUANGVCLBEY-UHFFFAOYSA-N 455.518 2.467 30 10 JEEE COCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1cc(OC)c(O)c(OC)c1 1862612874 SCXMMEBHULYAJJ-FQEVSTJZSA-N 471.462 2.405 30 10 JEEE C=CCN(CC=C)C(=O)[C@H](CCC)NC(=O)CCS(=O)(=O)c1ccc(OC)c(OC)c1 1868738604 LPVRRRMHWPBLCM-SFHVURJKSA-N 452.573 2.353 30 10 JEEE CCCC[C@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O 1869934891 VHKGVKSQGXCEPR-KRWDZBQOSA-N 454.508 2.148 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCCOC)cn1CCCCN1CCCC1 1870526876 CVNTVRRBWKWKPN-UHFFFAOYSA-N 460.619 2.040 30 10 JEEE COc1ccc(N2C[C@@H](c3nnc(SCC(N)=O)n3/N=C/c3cccc(F)c3)CC2=O)cc1 1874199599 RZJLXIKLKXOMLJ-OZKYXLFASA-N 468.514 2.406 30 10 JEEE COc1cc(CC(=O)N2CCC(OCC#CCN3CCN(C(C)C)CC3)CC2)cc(OC)c1 1890336002 RERIVJQQWNNMTC-UHFFFAOYSA-N 457.615 2.283 30 10 JEEE CC1(C)OB(C2[C@H]3CN(S(=O)(=O)CCCN4C(=O)c5ccccc5C4=O)C[C@H]23)OC1(C)C 1978272349 JCAKXSFSJZPXIQ-IRXDYDNUSA-N 460.361 2.027 30 10 JEEE O=C(C1=C(O)C(=O)N(c2nncs2)[C@H]1c1ccc(I)o1)c1cnccn1 2033813188 KBAFOGJUWYZVNF-NSHDSACASA-N 481.231 2.309 30 10 JEEE C#CCN(C(=O)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 2059616347 LKSYFMCRYIKHNW-WOJBJXKFSA-N 464.584 2.136 30 10 JEEE CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[C@H]2C[C@]2(B2OC(C)(C)C(C)(C)O2)C1)C1CS(=O)(=O)C1 2197504474 IOIJZBHDWFYGOH-WCJKSRRJSA-N 484.424 2.009 30 10 JEEE COCC(CNC(=O)OC(C)(C)C)(COC)Oc1ncccc1B1OC(C)(C)C(C)(C)O1 2232312505 WMCXFFOFWGNRRU-UHFFFAOYSA-N 452.357 2.316 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CO)CNC(=O)c1ccc(Cl)cc1B1OC(C)(C)C(C)(C)O1 2255538119 GJAKFSHJBCGDMO-AWEZNQCLSA-N 454.760 2.255 30 10 JEEE CN(C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)[C@H]1CC[C@H]1NC(=O)OCc1ccccc1 2255648951 OWNDEMRIISFRAJ-MOPGFXCFSA-N 468.363 2.249 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](C(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(C)(C)O 2256673492 SQAAIJVKPVOYAI-HNNXBMFYSA-N 454.398 2.328 30 10 JEEE CC(C)(C)OC(=O)NC[C@]1(O)CCCN(c2nccc(B3OC(C)(C)C(C)(C)O3)c2F)C1 2266051429 KKNCOPWQAKSBPX-JOCHJYFZSA-N 451.348 2.376 30 10 JEEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCC(CNC(=O)C(F)(F)F)CC3)s2)OC1(C)C 2267370009 FMIOCACUQPPNJL-UHFFFAOYSA-N 482.355 2.127 30 10 JEEE Cn1ncc(C(=O)N[C@H](CNC(=O)OCc2ccccc2)C(F)(F)F)c1B1OC(C)(C)C(C)(C)O1 2267505639 LMJKFBWPNBNQIN-MRXNPFEDSA-N 496.295 2.306 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1NC(=O)[C@H](O)[C@H](C)NC(=O)OC(C)(C)C 2268632554 LPUFEYKODABCOJ-SUMWQHHRSA-N 450.341 2.207 30 10 JEEE CC1(C)OB(c2cc(NC(=O)[C@](C)(NC(=O)C(F)(F)F)C(F)(F)F)ccn2)OC1(C)C 2268668355 DHCAHIAYNOSNFG-HNNXBMFYSA-N 455.164 2.319 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@H]2[C@@H](C(=O)NCc3sccc3B3OC(C)(C)C(C)(C)O3)[C@H]21 2268721461 LMCYSHBHUIJKSP-GVDBMIGSSA-N 464.393 2.298 30 10 JEEE CC(C)(C)OC(=O)NC[C@]1(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)CC12CCC2 2268721505 MBLCMHFMQZYJAJ-NRFANRHFSA-N 464.397 2.283 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@H](COc3cc(B4OC(C)(C)C(C)(C)O4)ccn3)O[C@H]2C1 2280704812 ZUXMZELBOJPVIE-SQNIBIBYSA-N 462.352 2.163 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C[C@H]1C(F)(F)F 2281978477 DKSXXXKNNHUYMU-YPMHNXCESA-N 474.289 2.237 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2C[C@H](C1)CN2C(=O)OC(C)(C)C 2281999946 IKPGUEFASBGQKI-CVEARBPZSA-N 460.384 2.109 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@]2(CCN2C(=O)OC(C)(C)C)C1 2282006411 UNKVIUJWZFKPRR-QHCPKHFHSA-N 460.384 2.253 30 10 JEEE C=CCC1(NC(=O)c2cn(CC)c(B3OC(C)(C)C(C)(C)O3)n2)CN(C(=O)OC(C)(C)C)C1 2282042552 CXLUQNSZARJMRR-UHFFFAOYSA-N 460.384 2.498 30 10 JEEE CC(C)(C)OC(=O)N1CC2(C[C@@H](O)CN2C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2282181867 LWMUKUNOAJDJJW-GOSISDBHSA-N 458.364 2.182 30 10 JEEE CC(C)(C)OC(=O)N1CC2(CC[C@@H](CNC(=O)c3ccoc3B3OC(C)(C)C(C)(C)O3)O2)C1 2282204385 JBFNHDXAKHDFLH-HNNXBMFYSA-N 462.352 2.477 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CCCC23CN(C(=O)OC(C)(C)C)C3)n1 2282540099 DXZIXXQZOWYPCA-INIZCTEOSA-N 460.384 2.239 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H]2COC[C@@H](C1)N2C(=O)c1occc1B1OC(C)(C)C(C)(C)O1 2282549746 PDXRZBPRIBKAOZ-JKSUJKDBSA-N 462.352 2.429 30 10 JEEE CC(C)n1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC1(CO)CN(C(=O)OC(C)(C)C)C1 2282564634 XKJLJOBSAKYCBQ-UHFFFAOYSA-N 463.384 2.080 30 10 JEEE Cn1cc(C(=O)NC[C@]23CC[C@H]2CN(C(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)n1 2282585234 JIQDPALEFCXICX-WNSKOXEYSA-N 460.384 2.096 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2[C@@H]3[C@@H]2CCCN3C(=O)OC(C)(C)C)n1 2282588127 DIXUQIUWBRNRLO-KYJSFNMBSA-N 460.384 2.330 30 10 JEEE Cn1nc(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C(F)F)cc1B1OC(C)(C)C(C)(C)O1 2282615506 ZHDVCTVPQYYVCZ-FUHWJXTLSA-N 460.334 2.215 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)c1nc(NC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)n[nH]1 2282667505 RVOPPYHIZJGAPI-LBPRGKRZSA-N 458.328 2.337 30 10 JEEE CN(Cc1sccc1B1OC(C)(C)C(C)(C)O1)C(=O)[C@H](F)C1(O)CN(C(=O)OC(C)(C)C)C1 2284054273 ACHHSWCKMPJWJA-INIZCTEOSA-N 484.399 2.326 30 10 JEEE CCOc1ccc(C=Nn2c(SCC(N)=O)nnc2[C@H]2CC(=O)N(C(C)(C)C)C2)cc1OC 2327840280 NQBMIUHYSBSKAU-HNNXBMFYSA-N 474.587 2.259 30 10 JEEE C#CC#CC1CN(C(=O)c2cc(I)cc(I)c2O)C1 2337000361 OZYQKWHVNKJQTP-UHFFFAOYSA-N 477.039 2.310 30 10 JEEE C=CC1(N[C@]2(C(=O)O)C[C@@H]3OCCN(C(=O)OC(C)(C)C)[C@H]3C2)CN(C(=O)OC(C)(C)C)C1 2349784731 TXFPXRLRCWFOJT-KXNSMUHISA-N 467.563 2.373 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](C(=O)O)N(c2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)C1 2371997940 HNDCOVZWNQQHTG-CJNGLKHVSA-N 465.331 2.467 30 10 JEEE COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1-c1ccc(C)c(F)c1 514490933 DRXBFFGQGUWLSN-MRXNPFEDSA-N 451.523 2.001 30 10 JEEE N#Cc1ccc(CNC(=O)N2CCCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)c(F)c1 609254111 AWTKOUGUVJTOJS-UHFFFAOYSA-N 474.514 2.075 30 10 JEEE C#CCN1CCC[C@H]1COC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 729810114 UKVXOECQIPPOCW-WMZOPIPTSA-N 455.374 2.243 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)NCC3(c4ccccc4)CCOCC3)cc2C1=O 918812100 DXYTWIDXPXRYNM-UHFFFAOYSA-N 462.502 2.490 30 10 JEEE CCOc1cc(C=NNc2nc(N3CCCC3)nc(N3CCCC3)n2)ccc1OCC(=O)OC 1081088282 CLCABFJAJXFCHV-UHFFFAOYSA-N 469.546 2.469 30 10 JEEE C=CCn1c(S)nc2cc(C(=O)Nc3cccc4c3CCN4S(C)(=O)=O)ccc2c1=O 1138117822 RXZRWTODHTYPBT-UHFFFAOYSA-N 456.549 2.446 30 10 JEEE C#CCN(CC(=O)N1CCNC(=O)[C@H]1c1cccc(Br)c1)C(=O)OC(C)(C)C 1150976021 PMXSSHCEOYUPGO-QGZVFWFLSA-N 450.333 2.319 30 10 JEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN[C@H](c4ccc(F)cc4)C3)CC2)cc1 1154123748 HVSUYUHTDCBWNT-QFIPXVFZSA-N 456.543 2.271 30 10 JEEE Cc1oc(NC(=O)[C@@H](C)N2CCC(N(CC(F)(F)F)S(C)(=O)=O)CC2)c(C#N)c1C 1167420116 AGYOXAOOZDQELZ-GFCCVEGCSA-N 450.483 2.383 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC(F)(F)F)cc1 1286296331 OCEVORPQCMLXLD-WMLDXEAASA-N 487.504 2.016 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC(=O)NCc1ccco1 1286442881 PXMIJZXLBQEZMN-UHFFFAOYSA-N 473.537 2.434 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccncc2)n1CCNC(=O)c1cc[nH]n1 1286457704 CQKHABKCQIPPEQ-UHFFFAOYSA-N 458.501 2.196 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1OCC(F)(F)F 1286465021 HXKKLOCIJFWHSY-INIZCTEOSA-N 451.449 2.305 30 10 JEEE C=C(Cl)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1286623425 RQRODRHODFHVMY-DNVCBOLYSA-N 466.007 2.258 30 10 JEEE C=CC[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOC)CC1)c1ccccc1 1286679353 NYPBQABRZSJUPG-YADHBBJMSA-N 473.643 2.309 30 10 JEEE C=CCN(c1nnc(-c2cc(Br)cn2C)n1CCN1CCN(C(C)=O)CC1)C1CC1 1286734933 ZKMHIYVHNVBENJ-UHFFFAOYSA-N 476.423 2.365 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCOC2(CCCCC2)C1 1286782409 TVLCFHZDOFJEGU-UHFFFAOYSA-N 473.599 2.190 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCC(CC(=O)NC)CC1 1286821315 HCJXCDNLKRADIV-UHFFFAOYSA-N 481.569 2.100 30 10 JEEE CC(=O)N(C)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCCCS(C)(=O)=O)CC1 1286840896 LMFUEGPOEUKDHV-UHFFFAOYSA-N 472.615 2.479 30 10 JEEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN(C)C2CCCC2)C1 1296328883 FNQADZDHGMQFSL-NRFANRHFSA-N 471.631 2.209 30 10 JEEE C#CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@@H](CC(N)=O)C1 1300358448 VJNYJGPGIFYKKG-KRWDZBQOSA-N 457.604 2.134 30 10 JEEE C#CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1300391063 FGCQNBWYYQUPKX-UHFFFAOYSA-N 493.568 2.433 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1C[C@@H]1CCOC[C@H]1OC)[C@H]1CCS(=O)(=O)C1 1300488055 AGRWQHSGPKEOIY-YSIASYRMSA-N 479.002 2.277 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCc1ccc(OC)cc1OC)[C@H]1CCS(=O)(=O)C1 1300496264 PARPZTCEZFMXIA-FPOVZHCZSA-N 488.610 2.406 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@](C)(O)c1ccco1)[C@@H]1CCS(=O)(=O)C1 1300503239 BTEKDLFCVCQTJA-DVECYGJZSA-N 484.578 2.293 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1300725512 ATXNENLGWWUOIV-LJQANCHMSA-N 498.578 2.371 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2C[C@H]2CCC[C@H](O)C2)CC1 1300725846 FBXUJQRLCXRSDW-UGKGYDQZSA-N 465.598 2.394 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CC(C)(C)NC(=O)OC(C)(C)C)CC1 1300730539 AGPPADFOSIKEMO-UHFFFAOYSA-N 462.595 2.084 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Oc1ccc(C)cc1 1300806462 WAWIBOCYYAZGLM-NHCICSSKSA-N 487.626 2.379 30 10 JEEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1300982782 QNUXZDVBMKNGLF-OAQYLSRUSA-N 469.634 2.399 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(S(C)(=O)=O)CC1 1301001226 DZCNEZYOIKXBLD-SFHVURJKSA-N 498.650 2.024 30 10 JEEE C=CC1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1301109016 FFEXRVCJUDKERV-ZHDCVSLSSA-N 470.574 2.248 30 10 JEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 1301197262 QVPYJGIDFSPTLZ-OWCLPIDISA-N 456.613 2.204 30 10 JEEE C=CCN(c1nnc([C@@]2(OCC)CCOC2)n1CC1(NC(=O)OC(C)(C)C)COC1)C1CC1 1301315806 AYWIHHKZRTZIAN-HSZRJFAPSA-N 463.579 2.379 30 10 JEEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC(=Cc2cccc(OC)c2)CC1 1301510435 XWXAQLLRQOAMRN-UHFFFAOYSA-N 464.570 2.395 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCC[C@@H](O)C1 1301772065 CQTLSQNTRCRAKO-NHCUHLMSSA-N 454.575 2.492 30 10 JEEE CC(=O)NCC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2([S@](C)=O)CCC2)CC1 1301878767 FXSXMLFPCXSMRP-YTTGMZPUSA-N 454.600 2.470 30 10 JEEE C[C@H](CC#N)N(C)c1nnc(C(=O)N2CCCC2)n1CC(F)(F)CNC(=O)OC(C)(C)C 1303628048 GDCBBFDJWYKVPB-CQSZACIVSA-N 455.510 2.412 30 10 JEEE COCc1nc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@H](NC(C)=O)C2)cs1 1315872942 HJOBUFAKXDHMPX-SFHVURJKSA-N 481.582 2.485 30 10 JEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2nnn(Cc3ccccc3)c2CC)c1 1351600055 DYWCSWQOFHLFTP-UHFFFAOYSA-N 457.534 2.376 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1nnc2n1CCCCC2 1358876818 QTGCWPZWXNJIHZ-KRWDZBQOSA-N 482.614 2.020 30 10 JEEE C#CCN(c1nnc([C@@H](C)OCCOC)n1Cc1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 1358957552 VWUUTEKGGTXWTL-APWZRJJASA-N 466.991 2.331 30 10 JEEE C#CCN(c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCN(C)CCOC)[C@H]1CCS(=O)(=O)C1 1358958155 IQUMALYTMBCBGZ-QFIPXVFZSA-N 487.670 2.448 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(OCC)c(OC)c2)n1Cc1ccc(-n2cncn2)nc1 1358973705 BRIBFHQPRHPOTB-UHFFFAOYSA-N 468.521 2.449 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCN2CCC(C)CC2)CC1 1359041940 MVTGZQRTQLVNGG-AREMUKBSSA-N 486.661 2.016 30 10 JEEE C=CCCOCCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@@H](C(N)=O)C1 1359222890 VICBHLPZSULFFA-CQSZACIVSA-N 451.369 2.341 30 10 JEEE C=CCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1359285819 PGMKRPKUOIYQHD-UHFFFAOYSA-N 454.575 2.283 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1359327492 CVJJPKXUKQPKPW-AUSIDOKSSA-N 459.616 2.383 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Br)c2)nnc1N1CCN(C2CC2)C(=O)C1 1359328248 YHRSTTDLSNWQPD-UHFFFAOYSA-N 494.415 2.119 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCN(c2ccc(F)cn2)CC1 1359333945 OXVSZBFOTMIJPH-UHFFFAOYSA-N 488.564 2.470 30 10 JEEE C=CCSCCn1c(N2CCC([C@@H]3NC(=O)N(C)C3=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1359346784 WAXQYIPLHXVQSH-MBSDFSHPSA-N 492.646 2.005 30 10 JEEE C#C[C@@H](NC(=O)c1ccc(S(=O)(=O)N(C)CCO)cc1)c1ccc(Br)cc1 1450271753 LIKMRGIXCSLJNI-GOSISDBHSA-N 451.342 2.166 30 10 JEEE C#CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1(CS(C)(=O)=O)CC1 1507618637 AZJQAWVYIWMNMB-INIZCTEOSA-N 451.593 2.244 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC[C@H](OC)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1507630666 FCWMWIFBJRRWBI-RDJZCZTQSA-N 471.505 2.243 30 10 JEEE C#CCN(c1nnc(C2CC2)n1C[C@H](CC)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1507630794 HRZSHKJPHIOCBB-IRXDYDNUSA-N 451.593 2.086 30 10 JEEE C#CCN(c1nnc(CSc2ccc(C)cc2)n1CCc1cn[nH]c1)[C@H]1CCS(=O)(=O)C1 1507638170 PBRNWRVPRRMXCJ-IBGZPJMESA-N 470.624 2.471 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1c(C)nn(Cc2ccccc2)c1C 1507710363 FTBPLNHGCWHZFU-JOCHJYFZSA-N 496.637 2.176 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCCCOc2ccc(C)cc2)CC1 1507717015 XSEOYBCLRHXGEN-UHFFFAOYSA-N 450.587 2.437 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCCCC(F)(F)C2)CC1 1507738308 MNCCFCLDQNSPFJ-WMZOPIPTSA-N 462.545 2.411 30 10 JEEE C#CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1507749130 WFWRDQAIZRLOKP-UHFFFAOYSA-N 468.627 2.065 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1508081748 OHFUFKGKJONYED-HNNXBMFYSA-N 452.481 2.329 30 10 JEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N(C)Cc1ccc2c(c1)OCCO2 1508084607 OWFQGWYJVSDIAP-UHFFFAOYSA-N 454.556 2.344 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1508136832 VTEGALOCFUUDBW-ZWKOTPCHSA-N 477.631 2.482 30 10 JEEE CC(C)(Cn1c(-c2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1)NC(=O)OC(C)(C)C 1508713712 FZDHRDGVFKFOFQ-UHFFFAOYSA-N 474.587 2.355 30 10 JEEE CC(C)NS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1509784188 GLWPFYAXBDTSTE-FQEVSTJZSA-N 458.588 2.323 30 10 JEEE Cc1nc2ccccc2n1CCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H](C)CC#N 1511575363 CYEAOHAZPBJIBE-JKSUJKDBSA-N 458.592 2.375 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCN1CCOC(C)(C)C1 1538973100 KWMCYUKSHXZAGU-QGZVFWFLSA-N 473.647 2.115 30 10 JEEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1539078732 GCXHTLYDMRRILN-FQEVSTJZSA-N 469.659 2.289 30 10 JEEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(C)cc2OCC(F)(F)F)CC1 1539459570 KIUDRVUGYVKLOT-UHFFFAOYSA-N 490.530 2.454 30 10 JEEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1539490433 CSQDTYSSFVWWCD-UHFFFAOYSA-N 466.615 2.156 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)CC(C)(C)C1 1539631705 MXEDSOKYHUJYNT-WTGUMLROSA-N 481.663 2.465 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CCc2ccccc2)nnc1N1CCN(S(C)(=O)=O)CC1 1539647036 UWVHTRJQKCHILY-UNMCSNQZSA-N 459.616 2.126 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(C(N)=O)CCCC1 1540126779 ODNWRJIJJXGAES-LJQANCHMSA-N 457.600 2.419 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c(-c2cnccn2)nnc1N1CCN2C(=O)OC[C@@H]2C1)C(C)C 1540151337 GKDBSMAJOBVPQJ-AZUAARDMSA-N 452.563 2.075 30 10 JEEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1540855016 UIFHYIMEFLRVCM-QGZVFWFLSA-N 476.603 2.485 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@](C)(C(N)=O)C1 1540865307 BECILHOXPIXIKB-FQEVSTJZSA-N 461.364 2.020 30 10 JEEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 1540874195 XWSYWQMNYNQYOT-SFHVURJKSA-N 492.502 2.299 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCN(C)CC(F)(F)F)C1 1540889398 KYXSFCFOTPQOIF-INIZCTEOSA-N 491.518 2.467 30 10 JEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)N1CCN(c2ccccc2)CC1 1544580953 LKNOFRSZOYKSOH-GOSISDBHSA-N 450.967 2.487 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCOC[C@H]2C[C@@H](O)c2cccs2)ccc1F 1545707328 KJETUSNWGMLFEJ-NVXWUHKLSA-N 454.545 2.316 30 10 JEEE N#CC1(c2ccccn2)CCN(CC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)CC1 1559789227 FTTRDTLBOJGSJQ-UHFFFAOYSA-N 453.568 2.362 30 10 JEEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1587702510 XBEZIQZSDHYJEL-UHFFFAOYSA-N 452.563 2.313 30 10 JEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)c2ccsc2)CC1 1587765607 IRIJASRSYRBLOP-GOSISDBHSA-N 475.640 2.444 30 10 JEEE C#CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](C(N)=O)C1 1587769425 HCMHPCZTYGIJNI-MSOLQXFVSA-N 460.579 2.092 30 10 JEEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1587861217 IGHNUBHDOBAFPO-UXHICEINSA-N 469.590 2.176 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1ccccc1OC)[C@@H]1CCS(=O)(=O)C1 1588049483 HBCGNQLYKZKCIM-LJQANCHMSA-N 451.552 2.332 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1c(C)noc1C 1588471989 BHNRQIDVOVCNQN-HNNXBMFYSA-N 460.535 2.320 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCO[C@@H](C)C1 1588595626 WYQQYYFXYVVJPX-OALUTQOASA-N 475.615 2.097 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCCCS2)n1 1588695187 FMHAINBPOBGPTA-FQEVSTJZSA-N 471.631 2.283 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2CC[C@H]2CCO[C@@H](C)C2)CC1 1588885285 URRLTEOWQAEJIM-OALUTQOASA-N 472.634 2.368 30 10 JEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cc(C)ccc1OC)C1CC1 1595058569 PREVPPORMNLCFP-OAQYLSRUSA-N 475.615 2.326 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1595745203 RERORXNUINYAMG-FPOVZHCZSA-N 460.600 2.288 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@H]1CCOC1 1595798559 QMAPFONEOBUMGZ-ROUUACIJSA-N 483.635 2.219 30 10 JEEE COCCN1C[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2C[C@@H](C)[C@@H](C)C2)CC1=O 1619930550 BTADETBZBXWLMJ-NSHGMRRFSA-N 452.559 2.316 30 10 JEEE C=CCn1cc(CNC(=O)N2C[C@@H]3CC[C@H](C2)N3C2CCN(C(=O)OC(C)(C)C)CC2)nn1 1686849304 XBBIXLRZCJKUFM-BGYRXZFFSA-N 459.595 2.222 30 10 JEEE C#CCN(c1nnc(-c2nnc(O)c3ccccc23)n1CC(C)(C)CCOC)[C@H]1CCS(=O)(=O)C1 1689988047 HUSGWUKZBIOGAG-KRWDZBQOSA-N 498.609 2.283 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H]2CCN(CCC)C2)CC1 1690117469 IVZJJTJNIBNIQS-HXUWFJFHSA-N 452.603 2.449 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2Cc2ccc(C)n(C)c2=O)CC1 1690148891 YWVNSSVGHKWTJI-UHFFFAOYSA-N 476.556 2.029 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)ccc3C)n2CC[C@H]2COCCO2)CC1 1690152440 LEUQKJUFWDBZOK-QFIPXVFZSA-N 481.597 2.245 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 1690175585 ZYJBXNFBOHJFDT-FUHWJXTLSA-N 496.680 2.148 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(F)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1690212584 OYWGNLVHABMPLX-VGOFRKELSA-N 461.563 2.270 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccc1 1690245288 GOCDSLLOXPXFTN-HKBOAZHASA-N 475.615 2.229 30 10 JEEE C=C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC1 1690366380 YYGQNNMUVVFUTR-YKSBVNFPSA-N 460.623 2.029 30 10 JEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2ccccc2OC)CCC1 1690526996 HWOBBFOIGBECFH-HXUWFJFHSA-N 475.615 2.364 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](CN2CCCC[C@@H]2C)C1 1690659595 XPRZJQGUBUZWMQ-PMACEKPBSA-N 480.617 2.318 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC(c2cnn(CC)c2)CC1 1690724453 PLFILAIQHXPESM-IBGZPJMESA-N 462.620 2.373 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(OC)cc2)nnc1N1CCN(C(C)(C)C)CC1 1690729866 UJNYZWLDQJCXJL-UHFFFAOYSA-N 477.631 2.387 30 10 JEEE CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCO[C@@H]2C(C)C)CCO1 1690957301 GBNAKXKZUHERLT-YPAWHYETSA-N 452.559 2.219 30 10 JEEE CC[C@@H](C)NC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(C(C)=O)CC1 1694222577 DBYAQRGSRMAACZ-GOSISDBHSA-N 467.574 2.092 30 10 JEEE CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@](C)(O)c2ccco2)CC1 1694223915 DFQGXIMRFIGIAN-AFMDSPMNSA-N 491.596 2.354 30 10 JEEE CCN(CC)c1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(CC#N)CC2)cn1 1695616112 GMYQMTFBSAPHHD-QGZVFWFLSA-N 474.635 2.308 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CC2([S@](C)=O)CCC2)c1 1705505750 SHYFNEQRRFWGSS-XIFFEERXSA-N 465.583 2.036 30 10 JEEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@](C)(O)c1ccco1)[C@H]1CCS(=O)(=O)C1 1705565736 VTUQWRIRKLMXJK-AOMKIAJQSA-N 458.515 2.212 30 10 JEEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1CCN1CCN(Cc2ccccc2)CC1 1705585430 RVOPQZURRBUXPQ-UHFFFAOYSA-N 470.625 2.030 30 10 JEEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCC[C@]2(CCOC2)O1 1705601519 MDBNAQJPFQZNIS-NTKDMRAZSA-N 467.595 2.461 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CSc3ccccc3OC)n2CC(C)(C)O)CC1 1705653072 XXMNBPUWONUCHU-UHFFFAOYSA-N 457.600 2.316 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1705931324 MMAOSZYKAACHEN-HKUYNNGSSA-N 475.615 2.236 30 10 JEEE CC[C@H](Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@](F)(C#N)C1)OC 1708776687 DJTLCXWTIYWFRQ-OXQOHEQNSA-N 450.540 2.062 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H]1CCOC[C@H]1OC 1722293431 MUCNZISPMPCLFO-SQGPQFPESA-N 450.543 2.184 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2C[C@H]2CCC[C@@H](O)C2)c1 1722307874 XYTIKQAYTQZZQM-PZJWPPBQSA-N 464.570 2.008 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2Cc2csc(CC)n2)c1 1722309452 NRBSZAVWLAEBAV-GOSISDBHSA-N 463.567 2.353 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1CC(C)(C)COC)[C@H]1CCS(=O)(=O)C1 1722362459 NOKSCWFGZDPHOK-SFHVURJKSA-N 476.599 2.262 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@H](C)OC)[C@H]1CCS(=O)(=O)C1 1722362461 BECHXRMDWLWMKX-BQFCYCMXSA-N 450.536 2.219 30 10 JEEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CC1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1722365462 OILBCQAWEZQUGF-DENIHFKCSA-N 450.605 2.137 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2CC(=O)Nc2c(C)cccc2C)CC1 1722431027 LMKZMIJTZXOIOI-FQEVSTJZSA-N 454.575 2.013 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCC(C)(F)F)CC1 1722443728 MWCQTSFOXASZAB-JOCHJYFZSA-N 453.534 2.330 30 10 JEEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(CC2CC2)CC1 1722455379 RIEUXDHARFWOEA-UHFFFAOYSA-N 488.683 2.094 30 10 JEEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1722460646 YVRUDZGCCDNKSW-SFTDATJTSA-N 468.627 2.235 30 10 JEEE C#CCSCCn1c(COc2ccc(OC)cc2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1722465213 GEKYQTSBYWHPPK-DENIHFKCSA-N 471.627 2.389 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1722705734 HEXUWJBCYSIZRT-FQEVSTJZSA-N 488.036 2.029 30 10 JEEE C=CCOc1ccccc1Cn1c(Cc2cccnc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1722708167 LNMONZFCAPSABW-IBGZPJMESA-N 482.610 2.347 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](c2cccc(F)c2)N(C)C)C1 1722717770 DDBACYDTQOUUIT-TYPHKJRUSA-N 477.606 2.404 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2Br)n1CCN1CCCS1(=O)=O 1740546358 UXSODDILYBPJIN-AWEZNQCLSA-N 452.378 2.201 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1[C@H]1C[C@H](c2ccc(F)cc2)C1 1740552985 PTYYJMNKAAUBET-UHMOLFJZSA-N 461.563 2.327 30 10 JEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(c2ncccc2C#N)CC1 1740582051 JRVYERUZHRKLKG-UHFFFAOYSA-N 475.578 2.355 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1CCc1ccncc1)[C@@H]1CCS(=O)(=O)C1 1740619691 QRAOVLVLSNOBTN-HXUWFJFHSA-N 481.578 2.227 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H](C)OC)[C@H]1CCS(=O)(=O)C1 1740620335 VXMBWYLVSSCBDF-ZBFHGGJFSA-N 454.499 2.208 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1CC1(C(=O)N(C)C)CCCC1)[C@H]1CCS(=O)(=O)C1 1740622182 VWTFRLJVMVEOQN-IBGZPJMESA-N 499.637 2.229 30 10 JEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1Cc1c(C)nn(C)c1C)[C@H]1CCS(=O)(=O)C1 1740624365 IJJUKUNOSGYLKA-NRFANRHFSA-N 496.637 2.097 30 10 JEEE C#CCN(c1nnc(COCC)n1Cc1ccc(OC(C)(C)C)nc1)[C@@H]1CCS(=O)(=O)C1 1740628295 PEFPYMROKXHDOC-GOSISDBHSA-N 461.588 2.062 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H](C)CN1CCOCC1 1740660899 IFPXZSBRZMFRCQ-VSKRKVRLSA-N 484.645 2.480 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CCCN(C(C)=O)C1 1740687452 FFFXEKODXYSMPH-PCCBWWKXSA-N 488.633 2.393 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](CC)N2CCc3ccccc3C2)CC1 1740689660 YWVPHZVSQQTTNR-QHCPKHFHSA-N 463.630 2.008 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2Cc2cccc(CS(C)(=O)=O)c2)CC1 1740701585 MJWRJPFBZZRCDC-UHFFFAOYSA-N 495.605 2.405 30 10 JEEE C#CCSCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@@](C)(C(N)=O)C1 1740711374 MGYBBGUDNSUAOA-JOCHJYFZSA-N 459.572 2.039 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCn1cncn1 1740941962 XQXUKRIVDNHHMY-GOSISDBHSA-N 460.583 2.323 30 10 JEEE CO[C@@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1748383947 GOPCUTQFPGPEKC-FQEVSTJZSA-N 465.602 2.376 30 10 JEEE CO[C@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1748383948 GOPCUTQFPGPEKC-HXUWFJFHSA-N 465.602 2.376 30 10 JEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(c2ccccc2C#N)CC1 1748751928 OOBIGFGDARFAGX-FQEVSTJZSA-N 452.584 2.182 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccccc2COC)CC1 1748978877 RFICJMFZGJHIGP-RUZDIDTESA-N 453.587 2.269 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCCN2CCCCCC2=O)CC1 1749009088 MLXGOVOLVXZJDU-UHFFFAOYSA-N 451.575 2.032 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CCCn2cc(Br)cn2)CC1 1749009274 NZCACFARNFKCHW-UHFFFAOYSA-N 497.401 2.355 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCOCC(=C)C)CC1 1749010182 OSSVXTLOXZHAKA-UHFFFAOYSA-N 492.628 2.011 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCCN(CC)CC)CC1 1749014963 QJJWFSZJGPNKIH-HSZRJFAPSA-N 480.613 2.488 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccn2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1749126343 BDZLQYRBUROSAU-BJLQDIEVSA-N 460.604 2.087 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)CCC2CCCC2)CC1 1749229905 QQWNWPYDIIFCMC-NRFANRHFSA-N 493.674 2.392 30 10 JEEE C=CCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H]2[C@H](C1)[C@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1749617896 YBKMXFSYDYFGAU-BZUAXINKSA-N 495.005 2.306 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1749661021 XCHFOWZRKDQSJA-UYAOXDASSA-N 491.596 2.163 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN([C@H](C)c2ccsc2)CC1 1749733762 BPSBESBHCPRXJH-QZTJIDSGSA-N 465.645 2.328 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CC1(CCOC)CCC1)[C@H]1CCS(=O)(=O)C1 1760190473 RCMRKTPQMAUAGH-FQEVSTJZSA-N 457.600 2.097 30 10 JEEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1CCc1ccn(C)n1)[C@@H]1CCS(=O)(=O)C1 1760191281 DVZNHUSYEQPMRO-OAQYLSRUSA-N 482.610 2.077 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(NC(=O)NC(C)C)cc2)CC1 1760258856 CUUMLCIUDRCTOR-HXUWFJFHSA-N 451.575 2.115 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@H](OC)C(F)(F)F)CC1 1760264167 DKZLQUPGUDLKDB-IBGZPJMESA-N 462.476 2.451 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCCN2CCC[C@@H]2CO)CC1 1760267779 ZVKMCSDRSRWNCS-XMMPIXPASA-N 489.624 2.019 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCOc2ccc(OC)cc2)CC1 1760268734 WRCUXYMUEPNEJP-UHFFFAOYSA-N 460.538 2.394 30 10 JEEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](c2cccc(F)c2)C1 1760280658 GZALZMBRGCKFFN-UYAOXDASSA-N 493.630 2.110 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1760313396 NPSXEXKWPUGYTC-PZJWPPBQSA-N 484.576 2.499 30 10 JEEE C=C(C)COCCn1c(COc2ccccc2F)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1760361956 XCOSUDNZHALEDN-GOSISDBHSA-N 472.521 2.062 30 10 JEEE C=CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CCS(=O)(=O)C1 1760501959 JGJOAGLIKFHALE-AWEZNQCLSA-N 472.409 2.120 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCc1nnc2n1CCCCC2 1764127069 AEEVIDOETAUQED-JOCHJYFZSA-N 457.558 2.199 30 10 JEEE CC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1)OC 1764280889 AKPMKRNQXNTKSY-WOJBJXKFSA-N 488.614 2.158 30 10 JEEE CNC(=O)[C@@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCc2nc(C)no2)C1 1767625159 BBMFTCAEBSJMQZ-QHCPKHFHSA-N 464.530 2.015 30 10 JEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1ccccc1)N1CCCC1 1772564412 XJOLTMZXZQVHPK-LEWJYISDSA-N 474.631 2.070 30 10 JEEE CCO[C@]12O[C@H]1C[C@@]1(CC[C@H]3[C@@H]4[C@H](C(=O)OC)[C@@H](O)C5=CC(=O)CC[C@]5(C)[C@]45O[C@@H]5C[C@@]31C)O2 1848433027 UEHLHDISHRGLLG-NJFSNCMGSA-N 474.550 2.268 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)[C@H](C)Oc3cccnc3NC(=O)NCCOC)cc21 1858807182 OJNOMGIETZIOSI-HNNXBMFYSA-N 454.483 2.411 30 10 JEEE C=CCNC(=O)[C@H](Cc1ccc(OC(C)=O)cc1)NC(=O)c1cc(OC)c(OC)c(OC)c1 1861064423 QZHKBCBBNAOLQU-IBGZPJMESA-N 456.495 2.281 30 10 JEEE C=CCN(CC=C)C(=O)C(C)(C)NC(=O)[C@@H]1CC(=O)N(CCc2ccc(OC)c(OC)c2)C1 1862162898 VLTPWFZTNWSEMZ-LJQANCHMSA-N 457.571 2.190 30 10 JEEE C=CCn1cc(OCC(=O)NC2CCCCC2)c(=O)cc1CN1CCN(C(=O)OCC)CC1 1870492190 KXOHAPBFXZPRRN-UHFFFAOYSA-N 460.575 2.136 30 10 JEEE C=CCn1cc(OCC(=O)Nc2ccccc2CC)c(=O)cc1CN1CCC(C(N)=O)CC1 1870748459 IIBGRLKQGLVQAM-UHFFFAOYSA-N 452.555 2.312 30 10 JEEE C#CCOc1cn(C[C@@H](c2ccc(O)cc2)N(C)C)c(CNc2ccc(S(N)(=O)=O)cc2)cc1=O 1871010975 VBZPWIMQDSBAIX-QHCPKHFHSA-N 496.589 2.128 30 10 JEEE CC(=O)Nc1ccc(-c2nc(C3=C(N)N(CCCN4CCOCC4)CC3=O)sc2C)cc1 1873528080 FZJAQSZSYWBLCH-UHFFFAOYSA-N 455.584 2.311 30 10 JEEE COC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)(C)C)C2)n1/N=C/c1cc(OC)c(O)c(OC)c1 1874278587 WWPFONSTZNLMNW-WUJFOHIQSA-N 491.570 2.263 30 10 JEEE C=CCn1c(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc2c(NC[C@H](C)O)ncnc21 1875230125 PRNHLKLOQHFGLF-INIZCTEOSA-N 465.514 2.281 30 10 JEEE CCN1CCN(CC#CCOC2CCN(C(=O)c3cn(-c4ccccc4)c(=O)cc3OC)CC2)CC1 1890510521 DAHKEEDAGXBSRH-UHFFFAOYSA-N 492.620 2.108 30 10 JEEE N#Cc1ncccc1OCC1CN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc(Cl)c2)C1 1891922144 YCWLYJKMXSJEKX-IBGZPJMESA-N 460.943 2.297 30 10 JEEE COc1cc([C@H]2C(C(=O)c3cnccn3)=C(O)C(=O)N2c2nncs2)cc(OC)c1OC 2033815751 QYUWKAJRPMGGMW-HNNXBMFYSA-N 455.452 2.137 30 10 JEEE C#CCn1ncc(N[C@H]2CCOC[C@@H]2NC(=O)OCc2ccccc2)c(Br)c1=O 2106034537 IADXDKNXUGTCMT-RDJZCZTQSA-N 461.316 2.135 30 10 JEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H](CC(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)O1 2180965444 GIJUWMRYYJYZGW-HOCLYGCPSA-N 462.356 2.129 30 10 JEEE CN1CCN(c2nccc(B3OC(C)(C)C(C)(C)O3)c2F)[C@H](CNC(=O)OC(C)(C)C)C1 2266066218 OIMPXWGTEJKNTB-OAHLLOKOSA-N 450.364 2.165 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)[C@@H](CO)C1 2267126328 LAYOKCJWMMQAKY-ZBFHGGJFSA-N 466.409 2.395 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](CNC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)CO1 2267167494 GWANYMDBUYTEAO-KGLIPLIRSA-N 467.397 2.102 30 10 JEEE Cc1cc(S(=O)(=O)NC[C@@H]2C[C@@H]2NC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2267364628 BYQFNPPIIPNSDK-YJBOKZPZSA-N 466.409 2.486 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@@H](C)NC(=O)OC(C)(C)C 2267467603 FFAIBVZBOBLJMO-CQSZACIVSA-N 470.397 2.186 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H]1CSCCN(C(=O)OC(C)(C)C)C1 2267599063 JNJWQWOBDLVSRB-INIZCTEOSA-N 465.425 2.407 30 10 JEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 2267704703 AEBKCFDOMPAVGS-ZIAGYGMSSA-N 484.449 2.499 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccc1Cl 2268631817 CUHPGUVBAFBXSA-HNNXBMFYSA-N 467.759 2.346 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@](CO)(C(=O)NCc2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2268652022 CYHLWIWGIUTXSA-QFIPXVFZSA-N 466.409 2.283 30 10 JEEE CC(C)(C)OC(=O)NCC[C@H](O)C(=O)Nc1ccc(F)c(F)c1B1OC(C)(C)C(C)(C)O1 2268702704 XGENZVAIIKIQRH-AWEZNQCLSA-N 456.295 2.478 30 10 JEEE Cn1cc(C(=O)N[C@@H]2C[C@@H](NC(=O)OC(C)(C)C)C23CCC3)c(B2OC(C)(C)C(C)(C)O2)n1 2281967499 YFPLZNKFNXYXHG-HZPDHXFCSA-N 460.384 2.285 30 10 JEEE Cn1cc(C(=O)N2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)c(B2OC(C)(C)C(C)(C)O2)n1 2281975735 QYLZBHXOWHAAOK-JKSUJKDBSA-N 460.384 2.048 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2CN(C(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)C[C@H]2C1 2281990143 JLXQISLSCNBGCG-ARFHVFGLSA-N 460.384 2.474 30 10 JEEE CN(C[C@H]1CN(C(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CCO1)C(=O)OC(C)(C)C 2282189414 JXCOYQHDASWPRW-SFHVURJKSA-N 461.368 2.089 30 10 JEEE CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2282477199 LZBHOVXSXDPCML-ROUUACIJSA-N 464.343 2.489 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CCC1(C)C 2282537256 NNXKQZWAHIEXSS-MRXNPFEDSA-N 462.400 2.485 30 10 JEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CC[C@H](CO)[C@@H](NC(=O)OC(C)(C)C)C1 2282549534 MCBMVNRQPPPQCB-WBVHZDCISA-N 464.368 2.235 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H]1CC[C@H]1NC(=O)OC(C)(C)C 2282871493 IBLMGYUMWWNTLT-HZPDHXFCSA-N 482.408 2.328 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(O)cc2O)C1 2282969106 YXDDQXPTYVCLSS-NPMABZOXSA-N 460.336 2.136 30 10 JEEE CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc(B2OC(C)(C)C(C)(C)O2)ccc1Cl 2283967814 HCUASUUGGGSOMQ-CQSZACIVSA-N 483.758 2.429 30 10 JEEE COc1ccc(NC(=O)C2(NC(=O)OC(C)(C)C)CC(O)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2284052258 WHJUVYSKHGJURA-UHFFFAOYSA-N 462.352 2.351 30 10 JEEE CC(=O)Nc1cccc(NC(=O)CSc2n[nH]c(=NN=CC=Cc3ccccc3)n2N)c1 2313701569 GTJMQRLXPBQYDP-UHFFFAOYSA-N 450.528 2.214 30 10 JEEE Cc1cnc(OCCS(=O)(=O)CCNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2335768776 FXLSNXJONUOYOJ-UHFFFAOYSA-N 470.397 2.008 30 10 JEEE CN(CC(C)(C)CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C)C(=O)OC(C)(C)C 2337198313 IJZWZKLIWVVXAC-UHFFFAOYSA-N 450.389 2.342 30 10 JEEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](C(=O)N2CC[C@](C)(B3OC(C)(C)C(C)(C)O3)C2)C1 2342480245 BETGNPUYNRTOLS-VFNWGFHPSA-N 472.413 2.105 30 10 JEEE Cc1nn(C)c(C(=O)NC[C@@H]2[C@@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)c1B1OC(C)(C)C(C)(C)O1 2359267861 IOHMMGSQYSDVKS-BZUAXINKSA-N 460.384 2.013 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1C[C@@H]2[C@H]1CCN2C(=O)OC(C)(C)C 2362350904 YASVWLOJYAKPJX-OWCLPIDISA-N 460.384 2.095 30 10 JEEE COc1ccc(NC(=O)C2(CO)CN(C(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2365286477 KUNSDUAVAMBCCK-UHFFFAOYSA-N 462.352 2.162 30 10 JEEE CC(C)(C)OC(=O)N1[C@H](CN=c2cc(B3OC(C)(C)C(C)(C)O3)c(F)c[nH]2)C[C@@H]2COC[C@H]21 2371992123 KYJMVJNYCMHEAK-RVKKMQEKSA-N 463.359 2.378 30 10 JEEE Cc1cc(N2/C(=N\C(=O)CCC(=O)O)S[C@H]3CS(=O)(=O)C[C@@H]32)ccc1Br 102706326 SHVWPBFTCFGCCN-UZXCTNKVSA-N 461.359 2.224 30 10 JEEE COc1ccc(Cl)cc1/C(O)=C1/C(=O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccccn1 102749685 DTEGWDLEKAXVTF-GOBJLOIFSA-N 457.914 2.498 30 10 JEEE C=CCn1c(=C(C#N)C(=O)c2ccccc2F)sc(=Cc2cnn(-c3ccccc3)n2)c1=O 837284988 JNEPZYYXAGKVEU-UHFFFAOYSA-N 457.490 2.202 30 10 JEEE C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)OCC(=O)NCc1cnn(-c2ccccc2)c1 857749856 DRRCQMSWRAYCFB-MHZLTWQESA-N 499.527 2.197 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)C(=O)CCCN(C)S(=O)(=O)c2ccc(OC)cc2)c1 918329043 MCLRLNZVSKDBOI-UHFFFAOYSA-N 457.552 2.174 30 10 JEEE C=CCOC[C@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2C)cc1)C(=O)OC 1139175545 HSXLQTYBUHSVAO-SFHVURJKSA-N 450.488 2.409 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCCO[C@H]1C1CCN(S(=O)(=O)c2ccc(C#N)nc2)CC1 1191035356 FZYCFJFRUNEYGQ-MOPGFXCFSA-N 450.561 2.426 30 10 JEEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 1220897337 FTSXXZDGCHJCMR-UHFFFAOYSA-N 452.559 2.324 30 10 JEEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)Sc1nnc(C[C@@H]2CCS(=O)(=O)C2)o1 1248553192 HWGULPXNJJRDMK-GJZGRUSLSA-N 464.569 2.483 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CC2(C)C)c1 1286311572 NYJXYORDTPBSPL-QZTJIDSGSA-N 455.584 2.283 30 10 JEEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(CC(C)C)C(=O)C1 1286349773 ODMULJKNYHOCBB-UHFFFAOYSA-N 450.591 2.170 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCc1ccc(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1286391692 FNVBGJQKNICTEF-UXHICEINSA-N 488.610 2.059 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1CCN1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1286394624 WFHQBAMSCVMVBC-FQEVSTJZSA-N 461.657 2.289 30 10 JEEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1CC1(C)COC1)[C@H]1CCS(=O)(=O)C1 1286397874 VHUBGVAYSQGHKE-KRWDZBQOSA-N 464.975 2.174 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CCCN(C(C)=O)C1 1286415855 RSWYTICXWNFMOX-PCCBWWKXSA-N 468.602 2.380 30 10 JEEE C#CCN(CC)c1nnc(-c2ccc(OC)c(Br)c2)n1CCS(=O)(=O)N(C)C 1286439994 JJOPGSAOTBEDIG-UHFFFAOYSA-N 470.393 2.067 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CC[C@H](C)N(C)Cc2ccccc2)CC1 1286471857 SBHFBEOHGIGATG-QFIPXVFZSA-N 463.630 2.180 30 10 JEEE C#CCSCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCO[C@@H](C(=O)NC)C1 1286496458 FKWFEZLQEGRSAI-HXUWFJFHSA-N 450.568 2.119 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](OC)[C@H](OC)C1 1286550463 CVFWCUMTXXWMOW-WJMWBRGCSA-N 476.599 2.180 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(OCC(N)=O)CC1 1286557676 JWBVXSQHLWBFSW-FDDCHVKYSA-N 457.550 2.460 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1286562945 BNPUQNDBINGMIJ-YKSBVNFPSA-N 474.650 2.367 30 10 JEEE C=C(C)COCCn1c(N2CCN3C(=O)CC[C@@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1286614812 YGSIBOTUWGUNBV-CEXWTWQISA-N 474.606 2.453 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCc2cccnc21 1286758131 FCPBAGPLUFIEAG-PMACEKPBSA-N 472.615 2.305 30 10 JEEE C=CCNC(=O)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCO[C@@H](COC(C)C)C1 1286789337 DVCTVCLHJHFAMJ-LJQANCHMSA-N 452.559 2.283 30 10 JEEE CC(C)(C)[S@](=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1287085503 DPVMHKNLXXARGK-STQSFFJQSA-N 487.605 2.114 30 10 JEEE CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 1288099415 ARBHZGXBISIASA-GBXCKJPGSA-N 469.565 2.149 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OCC)CCOC3)n2CCN2CCC[C@H]2C)c1 1300330955 FGSKTSWSNMNQIY-IBVKSMDESA-N 480.613 2.471 30 10 JEEE C#CCCCCn1c(CC2CCCC2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1300371475 TUCSHLCVOHLVSV-UHFFFAOYSA-N 473.647 2.367 30 10 JEEE C#CCN(c1nnc(-c2cc(C)nc3ccccc23)n1CCN(C)CCOC)[C@@H]1CCS(=O)(=O)C1 1300484094 RBJUEELJEXRZGZ-HXUWFJFHSA-N 496.637 2.007 30 10 JEEE C=C(Br)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCC(C(=O)NC)CC1 1300852938 GFWVKGSYZYGSQR-UHFFFAOYSA-N 458.364 2.388 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccn(C)n1 1301337529 HWFPQHJUHHJNJS-SFHVURJKSA-N 456.572 2.163 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@]2(C)[C@H](C1)C2(Cl)Cl 1301479213 WHRVMULEAINCHB-DJJJIMSYSA-N 464.357 2.248 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1301481481 MDUQLRCKAXTNDZ-XDHUDOTRSA-N 484.557 2.150 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1301483187 JVPPGCPNBVKFCZ-OSPHWJPCSA-N 471.558 2.039 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCc2c(ccnc2N(C)C)C1 1301485401 VUNUIKVKVSCKEV-UHFFFAOYSA-N 462.514 2.179 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CNC(C)=O)C1 1301530995 CGHLSABFRQZNKL-CTNGQTDRSA-N 487.626 2.146 30 10 JEEE CS[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1316385771 CHOKFKYMTLPOTN-PXNSSMCTSA-N 470.599 2.308 30 10 JEEE N#C[C@H]1CN(c2nnc(Cc3ccncc3)n2Cc2ccnc(OCC(F)(F)F)c2)CCO1 1316539540 DJVJWULHWAJELJ-KRWDZBQOSA-N 459.432 2.377 30 10 JEEE C#CCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1358916296 HCNJDNPQKIRFSP-QHCPKHFHSA-N 475.597 2.275 30 10 JEEE C#CCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC[C@@H](C(=O)OC)C1 1358932914 BLOTUCUTYNQLJI-JOCHJYFZSA-N 464.614 2.446 30 10 JEEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1CC1(C(N)=O)CCCC1)[C@H]1CCS(=O)(=O)C1 1358956916 MLUHXDPCRMBRAX-LEWJYISDSA-N 483.638 2.492 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1358960225 ZVWSPFSQSCUPMX-ZDUSSCGKSA-N 458.462 2.151 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1CCCCCN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1358964392 YKRDKUIOEBHGQI-LEWJYISDSA-N 463.648 2.065 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1358966993 BDKUPJYTSNOOGZ-SLHNCBLASA-N 450.605 2.065 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2cnc(C)s2)CC1 1359036057 LRJNWCIJUGNHEI-IBGZPJMESA-N 487.630 2.155 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@H]2NC(=O)CC2(C)C)CC1 1359041181 PEFFXLOGAGSPPI-LAUBAEHRSA-N 496.587 2.438 30 10 JEEE C=C(Cl)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1359146449 YVRBSOLZPSJRBZ-LBPRGKRZSA-N 455.733 2.151 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1359188180 IDTQDGZTZPUSPA-QGZVFWFLSA-N 487.692 2.081 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN(c2ccccn2)CC1 1359296238 BOCWPFXWKHQJMQ-UHFFFAOYSA-N 477.569 2.376 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCN(C(=O)N(CC)CC)CC1 1359330245 LTMDOPAYYNTLDW-UHFFFAOYSA-N 474.631 2.438 30 10 JEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2ccsc2)CC1 1359343287 PZKATHNYIJOXRS-KRWDZBQOSA-N 481.669 2.123 30 10 JEEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccc(N3CCN(C(=O)OC)CC3)nc2)c1 1450069258 AFQROJWWUFRIRY-UHFFFAOYSA-N 456.524 2.019 30 10 JEEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@]2(Cc3ccc(Cl)cc3)C[C@H]3CC[C@H]2C3)CC1 1455116027 VRRYWLPPSXYHDL-IPJJNNNSSA-N 450.004 2.301 30 10 JEEE C=CCC[C@H](NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1Br)C(=O)OCC 1475305614 NLDBWVJROCUDLL-ZDUSSCGKSA-N 454.364 2.029 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1CCCNS(=O)(=O)CC 1507518425 BANHVMODDLSKRJ-AWEZNQCLSA-N 454.394 2.495 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCNC(=O)C(C)C 1507539355 VDXLTSPWTYKEFP-ZWKOTPCHSA-N 462.595 2.207 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2C[C@](C)(O)c2ccco2)c1 1507550044 STAAUTSDGLCKMH-DEOSSOPVSA-N 457.494 2.292 30 10 JEEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@H](COCCOC)C1 1507583236 OMVSBFFENPWVKD-GOSISDBHSA-N 450.543 2.095 30 10 JEEE C#CCN(c1nnc(-c2ccc(OCC)c(OC)c2)n1Cc1nccs1)[C@@H]1CCS(=O)(=O)C1 1507630055 YTOVUCGYGABWPX-QGZVFWFLSA-N 487.607 2.484 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1C[C@@H](C)N1CCN(CC)CC1 1507704376 ZIJIBEJWPUUPAJ-GOSISDBHSA-N 492.466 2.158 30 10 JEEE C=C(Br)Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1507779122 YKGYNMFYGHBGAX-ZWNOBZJWSA-N 489.168 2.305 30 10 JEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](O)(c2ccc(F)cc2)C1 1507968179 QSWMAPLGPMGMAY-HTAPYJJXSA-N 464.563 2.010 30 10 JEEE C=CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1508164981 OTTAIFIPESBXHB-SFHVURJKSA-N 460.629 2.449 30 10 JEEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCN(C)C2)C[C@H]1NC(=O)OC(C)(C)C 1512419362 IEPSFTQRSVBZLG-CVBYOTHMSA-N 481.601 2.233 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(OCC)c(OCC)c2)CC1 1527417723 OFMUWSBSOIWJRF-RXVVDRJESA-N 452.573 2.298 30 10 JEEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2nccc(OCC)n2)CC1 1539044710 HGDHLEBDHVVGST-UHFFFAOYSA-N 475.557 2.244 30 10 JEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC(CN2CCOCC2)CC1 1539132636 PMFZYVUIIOWLSB-UHFFFAOYSA-N 456.616 2.232 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H]2CN(CC(C)C)CCO2)CC1 1539434935 YHHOZJGIZQGHDH-DEOSSOPVSA-N 482.629 2.074 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc4ccccc4o3)n2CCOCCCO)CC1 1539470638 UIGGFJIYBQQPAC-UHFFFAOYSA-N 451.527 2.056 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(OC)cc2OC)CC1 1539480586 CKQRPNSMXFKNMV-HXUWFJFHSA-N 467.570 2.203 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1539751218 INZJPCIIJZPEIR-RTBURBONSA-N 497.662 2.466 30 10 JEEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)COc2ccc(F)cc2)CC1 1539963098 LBYWEFJVCHQLAY-FQEVSTJZSA-N 470.549 2.452 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)CCS(=O)(=O)CC 1540865166 XAAVIFDMUZTXFY-HNNXBMFYSA-N 465.645 2.305 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H]1c1cnn(C)c1 1540899258 IQYMITWCWHUYDT-FQEVSTJZSA-N 451.556 2.493 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCO[C@@H](COC(C)C)C1 1540900618 BNAOAOIZYOFEIR-QGZVFWFLSA-N 452.552 2.315 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CC[C@H](COc2ccccc2)C1 1540901457 DVXVYWOLSKNPNQ-SFHVURJKSA-N 454.556 2.241 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](C2CC2)C1 1540906064 ZSIHSASCGCLCME-MOPGFXCFSA-N 495.646 2.424 30 10 JEEE C[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1)N(C)C 1541848005 CRRVEAWSLAJVBZ-QAPCUYQASA-N 456.982 2.031 30 10 JEEE CCNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1547741581 ABZQOHJEQOKRFH-HZPDHXFCSA-N 460.604 2.237 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(Sc2ccccc2)CC1 1587638331 CYMFDNGHWYXTQD-IEBWSBKVSA-N 475.640 2.394 30 10 JEEE C#CCCCn1c(CCOc2ccccc2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1587879574 WHHVVWAYCCQGIU-QFIPXVFZSA-N 464.614 2.446 30 10 JEEE C#CCN(c1nnc(C(C)C)n1C[C@@H](C)N1CCc2ccccc2C1)[C@@H]1CCS(=O)(=O)C1 1588030349 SWQILVXDRUPYBJ-DENIHFKCSA-N 455.628 2.475 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H](C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1588074463 NEBRRAXHQDRRJK-GBAJDQEWSA-N 472.611 2.433 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H](C)CN2CCCC2)CC1 1588890975 JWWZKZWKPJWSCR-QFQXNSOFSA-N 486.661 2.016 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1ccccc1)N(C)C 1589663504 NXFAZFVHOJUTBF-NHCUHLMSSA-N 476.647 2.316 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCOC[C@H]1OC 1595239713 QQOUZTLUOGNELK-BHDDXSALSA-N 474.627 2.467 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)cc1 1595607910 LDEOLJFUCPTDGB-ZWKOTPCHSA-N 475.615 2.385 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)CC1COC(C)(C)OC1 1595778426 ZOSJPTVCWUKONY-UHFFFAOYSA-N 478.571 2.110 30 10 JEEE C=CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@H](NC(C)=O)C1 1595871109 GIGXEUIPRNCDLH-KRWDZBQOSA-N 477.660 2.262 30 10 JEEE C#CCN(C(=O)Cn1cnc2c(c(Br)nn2C)c1=O)[C@@H]1CCCc2ccccc21 1611223098 MRKOKTCDODKDEB-MRXNPFEDSA-N 454.328 2.432 30 10 JEEE CCOC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N[C@@H](C)CC)CC1 1615991751 DPRUQOIKSPPMJZ-KRWDZBQOSA-N 453.547 2.400 30 10 JEEE C=CCn1c(SCC(=O)N2CC(C3CS(=O)(=O)C3)C2)nnc1-c1ccc(Cl)cc1 1637188538 DSTPHYPYLUYPPL-UHFFFAOYSA-N 452.989 2.380 30 10 JEEE C#C[C@@H]1COCCN1CC(=O)Nc1sc(-c2ccccc2)c(C)c1C(=O)N1CCOCC1 1643379710 PQNHMWDVRMPBMK-LJQANCHMSA-N 453.564 2.468 30 10 JEEE C=CCn1c(O)nnc1S[C@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 1656378518 SNAFNLYREKCRMU-CQSZACIVSA-N 451.574 2.464 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)Nc3ccccn3)n2Cc2cnn(CC)c2)c1 1689868841 RVLOLYAVQVDVFX-UHFFFAOYSA-N 483.536 2.246 30 10 JEEE C#CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1689925816 BJBIWUCMGGSBFI-QGZVFWFLSA-N 468.583 2.273 30 10 JEEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](C)O[C@H](COC)C1 1689932288 WWWAVIPKPFVDBR-FHWLQOOXSA-N 463.579 2.240 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(OCC)cc3)n2C[C@@]2(OC)CCOC2)CC1 1690112399 XFJQSHPXVJEMNW-NLFFAJNJSA-N 469.586 2.378 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H](C)N(C)c2ccccc2)CC1 1690135229 SFUMXGCJDJNTOF-FUDKSRODSA-N 452.603 2.282 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccc(OCC)cc3)n2C[C@H]2CCC(=O)N2)CC1 1690137849 KKCSXQFBJMLNFU-UYAOXDASSA-N 494.596 2.061 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 1690175584 ZYJBXNFBOHJFDT-AEFFLSMTSA-N 496.680 2.148 30 10 JEEE C=C(C)Cn1c([C@H]2CCCOC2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1690287889 ZDPNFUDOACYUHO-INIZCTEOSA-N 452.606 2.024 30 10 JEEE C=C(Cl)Cn1c(C2CCC2)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1690342157 BXSWUYMCTKCYMV-OAGGEKHMSA-N 472.011 2.425 30 10 JEEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)COc2ccc(F)cc2)CC1 1690469517 SCYBNOSIZWBBID-UHFFFAOYSA-N 470.549 2.347 30 10 JEEE C=CCCOCCn1c(N2C[C@@H]3[C@@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]3C2)nnc1C(C)(C)C 1690511046 NTUZBNSSBNNVPG-SQNIBIBYSA-N 497.662 2.295 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(C)(C)N2C[C@@H](C)C[C@@H](C)C2)C1 1690686664 RPNNCIIUQPQJGZ-ZGXWSNOMSA-N 482.695 2.426 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2c[nH]c3ccccc23)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1690723396 QEGMDSBVSPBJAM-INIZCTEOSA-N 472.571 2.304 30 10 JEEE C=CCSCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(S(C)(=O)=O)CC1 1690740565 ZLNLVZVLRRTZMO-UHFFFAOYSA-N 460.629 2.438 30 10 JEEE CCCNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)NC(C)C)C1 1695407984 DAKMWVPOUHSGPB-FQEVSTJZSA-N 451.575 2.474 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](CCC)OC)c1 1705506673 DWDNICSXIFTPNV-ICSRJNTNSA-N 473.599 2.052 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(OC(C)C)cc2)CC1 1705643602 LXKLCPFSMSCECK-UHFFFAOYSA-N 478.597 2.315 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CC[C@](C)(O)c2ccccc2)CC1 1705648552 UIHUGDPLMJUFJR-NLFFAJNJSA-N 451.571 2.046 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@](C)(O)CCC)CC1 1705651170 MNIIDZINMKIBID-RUZDIDTESA-N 464.570 2.246 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 1705652427 YYCRYNNCPJAODV-UHFFFAOYSA-N 489.605 2.315 30 10 JEEE C#CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1705660705 CWUAAIVFQJDEAA-HXUWFJFHSA-N 470.574 2.141 30 10 JEEE C=C(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN(CC(=O)NCC)CC1 1705725000 DVVDMNJBSBNUNG-UHFFFAOYSA-N 475.638 2.227 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1705932173 NXQVZMVIWPDWIP-UHFFFAOYSA-N 481.557 2.278 30 10 JEEE CC(C)Cc1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CCCn1cc(CO)nn1 1706427151 FZORJRQUJQPBRF-OAQYLSRUSA-N 450.547 2.100 30 10 JEEE C[C@H](CN1CCOCC1)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@](F)(C#N)C1 1706821211 HZOXAJNWGQQBRY-HXOBKFHXSA-N 489.983 2.272 30 10 JEEE CN(Cc1cscn1)c1nnc(COc2ccc(C#N)cc2)n1Cc1ccc(C(N)=O)nc1 1711117993 HZLHEZFPCFQIPP-UHFFFAOYSA-N 460.523 2.364 30 10 JEEE CS(=O)(=O)C1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@@H](C(F)(F)F)C2)CC1 1712685281 ADOXUERUCPYUPL-OAHLLOKOSA-N 455.462 2.161 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2C[C@@H](CC)N2CCCC2)c1 1722307924 YVSQQMJBUUUFEM-JOCHJYFZSA-N 477.613 2.331 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@@](C)(O)c2cccs2)c1 1722308868 HJFLPRMGBWAXAS-HOYKHHGWSA-N 478.578 2.255 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1C[C@@H]1CCC[C@]2(CCOC2)O1)[C@H]1CCS(=O)(=O)C1 1722367342 VYCXUYPSXSCAAI-MDPIYQRISA-N 450.605 2.147 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(OCC(F)(F)F)c1 1722447385 LWWYAABWZWBIGO-QGZVFWFLSA-N 451.449 2.305 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N(C)CCCC)CC1 1722459136 CVNCLZKHWAQUAI-LJQANCHMSA-N 481.688 2.022 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(OC)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1722494476 MWUMCGMEVWDKQC-IKLNAOFOSA-N 456.543 2.295 30 10 JEEE C=CCCOCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCCN(C(C)=O)CC1 1722624410 CKTRNNTUQMUVMK-UHFFFAOYSA-N 451.531 2.245 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCNC(=O)C1CC1 1722671876 FCDALNYSTXVJGX-GOSISDBHSA-N 460.579 2.291 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCCN(C(=O)C2CC2)CC1 1722688524 FAAWYTBAGSCYLH-KRWDZBQOSA-N 470.549 2.308 30 10 JEEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCC(C(=O)NCc2ccc(F)cc2)CC1 1722701224 JPWLFAAZOPRBNP-UHFFFAOYSA-N 454.550 2.205 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2cccn(CC)c2=O)C1 1722710883 PQFYSJLFQVXJNS-GBXCKJPGSA-N 457.575 2.330 30 10 JEEE CC(C)OC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCC2(O)CCOCC2)CCO1 1723706579 AIJKGZYYTCBXLK-QFIPXVFZSA-N 485.585 2.291 30 10 JEEE Cc1ccccc1-c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CC(=O)NCC(F)(F)F 1724582746 HWGPPAJBUJDKHT-INIZCTEOSA-N 499.501 2.309 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(SC)CCN(C)CC1 1740547334 SGSCCNPPNQIGOX-KRWDZBQOSA-N 465.627 2.477 30 10 JEEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 1740600957 VBQQUPWXCWNJLO-GBXCKJPGSA-N 453.543 2.165 30 10 JEEE C#CCN(c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC(C)C)[C@H]1CCS(=O)(=O)C1 1740623112 ONAJALOHTADCOO-SFHVURJKSA-N 482.610 2.348 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CC1([S@@](C)=O)CCC1)[C@@H]1CCS(=O)(=O)C1 1740626181 SXSGDPZPBULQBU-HEJPQYQCSA-N 496.605 2.075 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1740675102 FIEXFNOKSCKBND-JLUOLNIDSA-N 483.573 2.336 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](CC)c3ccccc3)n2CC2(O)CCOCC2)CC1 1740702400 NYEYDLMOZJQDFM-JOCHJYFZSA-N 465.598 2.327 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2C[C@H]2CCC[C@H](O)C2)CC1 1740708694 ZECVQAHOTBURQE-UNMCSNQZSA-N 465.598 2.417 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1740751111 HMSPYPSVQYFKCP-FXAWDEMLSA-N 496.678 2.038 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](OCC(C)C)C1 1740752015 RFZCSCBFGJNSTG-MKXGPGLRSA-N 455.625 2.121 30 10 JEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](c2cccc(OC)c2)N(C)C)CC1 1740818890 XVWMEFIUQMCNMW-PXNSSMCTSA-N 462.620 2.356 30 10 JEEE C=C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H](C)N2CCN(CC)CC2)CC1 1740827695 HHRDHRRGSIHWFR-IBGZPJMESA-N 457.648 2.452 30 10 JEEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1740963420 KKSLWNOHXQKECI-GLDPYIMESA-N 455.559 2.240 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H]2CCS(=O)(=O)C2)C1 1740975080 RTYCUIPFPFCGCX-HOCLYGCPSA-N 484.420 2.262 30 10 JEEE CCN(C)C(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1745883304 FFOVTYOPTBTPBK-INIZCTEOSA-N 479.976 2.454 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCNS(=O)(=O)c1ccc(C)s1 1748641385 GHIMSXFWWPNFJQ-KKSFZXQISA-N 481.644 2.125 30 10 JEEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CC1CCN(CCN(C)C)CC1 1748684542 LBAXOQOZODBXOI-SFHVURJKSA-N 457.648 2.001 30 10 JEEE C#CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1748697817 OHCAOIBFRKFISY-HXUWFJFHSA-N 477.569 2.423 30 10 JEEE C#CCCCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1748718739 NWKBEDKNYWVMEH-FQEVSTJZSA-N 483.642 2.428 30 10 JEEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1748790016 DCFODVNZYQLQPN-WOJBJXKFSA-N 466.634 2.409 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CCN1CC=CCC1)[C@H]1CCS(=O)(=O)C1 1748808311 JNZULKWDHALHSB-FQEVSTJZSA-N 460.003 2.487 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1cccc(CN2CCOCC2)c1)[C@@H]1CCS(=O)(=O)C1 1748817040 CPZPZUNLUMKTDR-HSZRJFAPSA-N 499.681 2.374 30 10 JEEE C#CCN(c1nnc(COc2ccccc2OC)n1CCc1cccc(C)n1)[C@H]1CCS(=O)(=O)C1 1748825340 XUEIZYFBVKENSU-NRFANRHFSA-N 495.605 2.439 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(F)cc2Br)n1CCCS(C)(=O)=O 1748835836 KCDKXZJSGFSAAQ-UHFFFAOYSA-N 453.337 2.354 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3noc4c3COCC4)n2C[C@@](C)(O)CCC(C)C)CC1 1749008582 DJDFYULMYZDTEY-VWLOTQADSA-N 484.601 2.159 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1749120819 HUJASZIEBSBZQK-CTNGQTDRSA-N 475.615 2.407 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1749129450 DQBBTGWKMZTXFI-OHCHIEETSA-N 458.651 2.447 30 10 JEEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1749387040 RFTSRABOGWNWEN-HXUWFJFHSA-N 457.623 2.003 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCC(CC(=O)N(C)C)CC1 1749680492 LQVUWSLFDXDJBY-UHFFFAOYSA-N 454.575 2.162 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1C[C@@](C)(O)CCOC)[C@H]1CCS(=O)(=O)C1 1760182914 KVOBKDPYHJDKCB-KKSFZXQISA-N 484.981 2.152 30 10 JEEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@@H]1CN(CC(C)C)CCO1)[C@H]1CCS(=O)(=O)C1 1760184004 FZHFZYYHNGVDPL-PMACEKPBSA-N 489.617 2.068 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CCN(C(C)C)C(C)C)[C@H]1CCS(=O)(=O)C1 1760190954 XQKFHSWIARJOPG-NRFANRHFSA-N 458.632 2.009 30 10 JEEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1760237319 FSPSMRIBTXTVSC-UHFFFAOYSA-N 492.653 2.314 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1Cc1ccc(N2CCSCC2)cc1 1760247775 OTYPQQULFHSQCT-UHFFFAOYSA-N 451.600 2.366 30 10 JEEE C#CCN1CCN(c2nnc(-c3nn(CCC)c(=O)c4ccccc34)n2CCOCC(=C)C)CC1 1760259610 DCZGLSAIMGAINI-UHFFFAOYSA-N 475.597 2.413 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@](C)(O)CCC)CC1 1760266758 LLXZLFOHYGZRHM-VWLOTQADSA-N 469.586 2.479 30 10 JEEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCC(S(=O)(=O)c2ccccc2)CC1 1760352622 UBLYAAXNXASLAO-UHFFFAOYSA-N 475.615 2.452 30 10 JEEE C=CCCOCCn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@H](COC)C1 1760447446 NPPCALAMWGFWCG-INIZCTEOSA-N 454.369 2.490 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1760527941 NBPSARQRMMALPX-UHFFFAOYSA-N 486.573 2.225 30 10 JEEE C=CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN2CCOC[C@H]2C1 1760559011 HNKKTJYCJPDMAM-LJQANCHMSA-N 477.034 2.302 30 10 JEEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC=C(Br)C1 1760560574 YTSXUMUHSPDGPB-LBPRGKRZSA-N 450.428 2.296 30 10 JEEE CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)N2CCCCC2)CC1=O 1769076480 ADTXOOIOYCJSLM-UHFFFAOYSA-N 451.575 2.272 30 10 JEEE COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CCCO)cc(OC)c1OC 1862635397 JBRGFUQDAKCVNA-HXUWFJFHSA-N 471.462 2.402 30 10 JEEE C=CCOc1cn(CCOCCO)c(CN2CCN(C/C=C/c3ccccc3)CC2)cc1=O 1870386716 ANYNZQIQNHWSQX-RMKNXTFCSA-N 453.583 2.253 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)OCc2ccccc2)cn1CCNC(C)=O 1870620539 RAWHWKOPFOILCF-UHFFFAOYSA-N 453.539 2.281 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)Nc2cccc(OC)c2)cn1CCOCCO 1870652807 FJLOXDMIGBLGOP-UHFFFAOYSA-N 471.554 2.057 30 10 JEEE N#Cc1cccc(N2CCN(C(=O)[C@H]3CCCCN3S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)c1 1892400472 UZXFGWCOPSHNDM-JOCHJYFZSA-N 483.550 2.358 30 10 JEEE CN[C@@](C#N)(Cn1cnc(I)c1I)C1CCC1 2026501416 YSGOUBLPFQUTMF-NSHDSACASA-N 456.069 2.374 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2255832162 IJOSJYNXGWOSGP-HNNXBMFYSA-N 452.382 2.413 30 10 JEEE CN(C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)[C@H]1CC[C@@H]1NC(=O)OCc1ccccc1 2256066706 GOXSCKPHLNVYLB-ROUUACIJSA-N 466.347 2.305 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CC(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2256618549 RDCFDGCADDBANE-QWHCGFSZSA-N 452.386 2.281 30 10 JEEE CC(C)(C)OC(=O)N[C@H](C(=O)N1C[C@H]2C(B3OC(C)(C)C(C)(C)O3)[C@@H]2C1)[C@@H](O)C(F)(F)F 2265312178 PUYNSJMTUBCYAH-MHDGFBEUSA-N 464.290 2.354 30 10 JEEE CC1(C)OB(c2cc(C(=O)N3C[C@H]4CC[C@H]3[C@@H](NC(=O)C(F)(F)F)C4)ns2)OC1(C)C 2267152172 OFQHOBVWLHLSTL-GVXVVHGQSA-N 459.299 2.114 30 10 JEEE Cc1sc(C)c(S(=O)(=O)N[C@H]2CON(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267472788 VTVUHWKCVJWIGY-CQSZACIVSA-N 488.437 2.493 30 10 JEEE CC(C)(C)OC(=O)NCC[C@@H]1CN(C(=O)c2occc2B2OC(C)(C)C(C)(C)O2)CCO1 2267488006 FWKPIJNOZPKNPM-OAHLLOKOSA-N 450.341 2.335 30 10 JEEE CCOC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)C#CB1OC(C)(C)C(C)(C)O1 2281936459 NMNIWFICRKHNRS-SJORKVTESA-N 464.368 2.316 30 10 JEEE Cn1cc(C(=O)N2CC[C@@H](CNC(=O)OC(C)(C)C)C2(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2281975096 ICKFEAWINFVWRS-HNNXBMFYSA-N 462.400 2.485 30 10 JEEE CN(CCc1nc(NC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)n[nH]1)C(=O)OC(C)(C)C 2281997401 AYDJMHJUXYFSIW-UHFFFAOYSA-N 478.384 2.222 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H](NC(=O)OC(C)(C)C)C3(CCC3)C2)n1 2282043380 MVJMCZVPDQDKSL-MRXNPFEDSA-N 460.384 2.239 30 10 JEEE CC(C)(C)OC(=O)NC1CCS(=O)(=NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)CC1 2282180000 PTNCOUGORORKSY-UHFFFAOYSA-N 480.396 2.071 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1C(F)(F)F 2282595772 YNHJKYGJNZELNO-CYBMUJFWSA-N 474.289 2.333 30 10 JEEE CC(C)(C)OC(=O)N[C@@]12CCC[C@H]1CN(C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)C2 2282693645 BLKLWTUXJZESLV-NPMXOYFQSA-N 458.368 2.295 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)[C@@H]1C1CC1 2283069313 QVBZDBCVERMZFJ-RDJZCZTQSA-N 458.368 2.294 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](OCC(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2284049364 STQYDUHJQZRVEI-HNNXBMFYSA-N 465.331 2.484 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(CNC(=O)CN2CC(CNC(=O)OC(C)(C)C)C2)s1 2284062375 FTTLXKVJOVZWPW-UHFFFAOYSA-N 479.452 2.428 30 10 JEEE C[C@H](C#CC(=O)N[C@]1(C(=O)O)CC[C@@H](CNC(=O)OC(C)(C)C)C1)NC(=O)OC(C)(C)C 2318619190 IMTMWFVAIHJOTQ-DOQJBMMISA-N 453.536 2.167 30 10 JEEE COc1ccc(C=Nn2c(SCC(N)=O)nnc2[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1 2325917778 ITSOIZFUHXITDB-GOSISDBHSA-N 464.551 2.262 30 10 JEEE Cn1c(=O)nc(O)c2c1nc(NN=Cc1ccc(Cl)cc1)n2C[C@H](O)COc1ccccc1 2327751592 OXRJROBHVQWDFD-INIZCTEOSA-N 468.901 2.375 30 10 JEEE C=CCn1cc(OCC(=O)NCC)c(=O)cc1CN1CCN(CC=Cc2ccccc2)CC1 2328603567 YEEMUFVJLDMTNT-UHFFFAOYSA-N 450.583 2.380 30 10 JEEE CCOc1c(Br)cc(C=Nn2c(CNC(C)=O)nnc2SCCCO)cc1OC 2330784272 FLNBBQVGGWXKRZ-UHFFFAOYSA-N 486.392 2.441 30 10 JEEE Cc1scc(C(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)c1B1OC(C)(C)C(C)(C)O1 2343505244 DDVVGVAOTFUHBL-GOEBONIOSA-N 466.409 2.313 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H]3CCC[C@@H]32)n1 2367685117 OPGULJOWMDWSPO-IRXDYDNUSA-N 460.384 2.333 30 10 JEEE N#Cc1cc(OCCOCC2CC2)ccc1OC[C@@H](O)CNCCNC(=O)Nc1ccc(O)cc1 13490595 VAWYRUMIUGPAEX-QFIPXVFZSA-N 484.553 2.220 30 10 JEEE in-vitro COc1cc(NC(=O)CSc2nnc(N/N=C/c3ccccc3[N+](=O)[O-])n2N)cc(OC)c1 59884736 JSYRSQDTJKWGMD-UFFVCSGVSA-N 472.487 2.094 30 10 JEEE CC(=O)Oc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CCN(C)C)c1 170109522 LLYGJKURDGYRFX-OAQYLSRUSA-N 452.463 2.481 30 10 JEEE CCOCCCNC(=O)C(/C=C1\C(=O)ONN1c1ccc(OC)cc1)=NC(=O)c1ccccc1 585673709 QGSSXYGGXYTRLA-JWFDIJCVSA-N 466.494 2.186 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)C[S@@](=O)CC(=O)Nc3cc(OC)ccc3OC)cc21 586327427 HRBKLHQKOQBLCP-MGBGTMOVSA-N 472.519 2.185 30 10 JEEE Cc1ccc(S(=O)(=O)OC2CCC(NC(=O)CN3C(=O)c4ccccc4C3=O)CC2)cc1 586508377 MVNXQKOHJHPWLU-UHFFFAOYSA-N 456.520 2.424 30 10 JEEE CCCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccc(OC(F)F)cc1 729669677 BGKWXPROESMJQP-UHFFFAOYSA-N 495.511 2.177 30 10 JEEE C#CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC(O)(C(=O)O)CC1 757403795 VPQXVZBQFDALEB-JOCHJYFZSA-N 462.502 2.355 30 10 JEEE CCOc1cc(C=NNc2nnc(SCC(=O)Nc3cccc(OC)c3)n2N)ccc1O 1084212910 AHQUZPAVXJEUFC-UHFFFAOYSA-N 457.516 2.282 30 10 JEEE C=CCn1c(S)nnc1-c1sc(NC(=O)CC2CCN(S(C)(=O)=O)CC2)nc1C 1136666392 ACZATVMNTRGRRK-UHFFFAOYSA-N 456.619 2.185 30 10 JEEE N#C[C@@H]1CN(S(=O)(=O)c2ccccc2S(=O)(=O)C(F)F)CCN1Cc1ccccc1 1209574788 DASBCGQVGAEIKP-MRXNPFEDSA-N 455.508 2.082 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCOC(F)(F)F)c1 1286310278 CGTFKLNDKVJIOT-INIZCTEOSA-N 499.515 2.163 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@H](NC(=O)OC(C)(C)C)C(C)C)CC1 1286494948 WHKPAFCCCKDPCV-PMACEKPBSA-N 488.633 2.297 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1286547368 OKVRJHRZRVOBMC-AABGKKOBSA-N 456.595 2.447 30 10 JEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2ccccc2F)C1 1286700988 UIXVOLINXIKHTP-PMACEKPBSA-N 479.578 2.294 30 10 JEEE C=CCN(c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@]1(O)CCSC1)C1CC1 1286734546 RQZWUHKPVXDMRY-NRFANRHFSA-N 463.629 2.218 30 10 JEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H](C)CS(=O)(=O)CC 1286776113 DWCIQBJVCVRQAE-CVEARBPZSA-N 457.597 2.032 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1286784940 ZFNJIZCVWNQNMV-HNNXBMFYSA-N 488.390 2.050 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccc(OC)c2OC)C1 1286810334 PQBHLRURZHEOSL-ROUUACIJSA-N 462.572 2.027 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1ccc(F)cc1 1286814051 IRNZRMXOKZIEDL-UHFFFAOYSA-N 458.519 2.302 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCN(C(=O)NC)CC1 1286815423 UPEYUTAYAIARIZ-UHFFFAOYSA-N 492.671 2.338 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1286821066 ZNTQNMOTPDJZSX-OAHLLOKOSA-N 483.532 2.143 30 10 JEEE CC(C)(C)OC(=O)N(CCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](C#N)C1)C1CC1 1287047387 BIBIHKYGDCRUOX-QGZVFWFLSA-N 482.545 2.054 30 10 JEEE Cc1noc([C@@H]2CCCN(c3nnc(-c4ccc(C#N)cc4)n3CCCS(C)(=O)=O)C2)n1 1290944886 BBRCPYLTUPKLSQ-GOSISDBHSA-N 455.544 2.327 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC(OC(=O)Nc3cccc(F)c3)C2)s1 1296500042 DNYHSGAZTWSJPF-UHFFFAOYSA-N 453.517 2.354 30 10 JEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(Cc3ccccc3OCC)C[C@@H]2C)cc1 1296892382 MRKNHQXDWFLFCY-IBGZPJMESA-N 455.580 2.343 30 10 JEEE CCS(=O)(=O)N(C)CCCn1c(Cc2ccc(F)cc2)nnc1N1CC[C@](F)(C#N)C1 1297738344 FNQKVSISLRAOPL-FQEVSTJZSA-N 452.531 2.122 30 10 JEEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 1300409584 ISGKCFLQJMOQGB-YPAWHYETSA-N 456.635 2.402 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1CCCN1CCCCCC1=O)[C@H]1CCS(=O)(=O)C1 1300500575 BQJQUXNOJZOQMA-QHCPKHFHSA-N 497.665 2.483 30 10 JEEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(C[S@](C)=O)cc1 1300512721 SIFSJIYZJDJQNQ-QNLPTKCRSA-N 454.596 2.318 30 10 JEEE C#CCN(CCOC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H](F)COC 1300666336 XIBPVPUGARAQPU-SFHVURJKSA-N 453.559 2.463 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C(=O)NC)CC1 1300869102 JFHBZFQYPOAIHN-DYESRHJHSA-N 470.574 2.405 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(C)(C)N2C[C@H](C)O[C@H](C)C2)CC1 1301124483 JAQMVKKTCWPOCK-NSHGMRRFSA-N 465.664 2.470 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2(CC)CCOCC2)CC1 1301126315 SUJCMIVLCNANBT-IBGZPJMESA-N 467.636 2.220 30 10 JEEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1CN(CC(C)C)CCO1 1301294497 QZTLCSNNKQKIPR-NRFANRHFSA-N 454.623 2.431 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)C1CC1 1301363256 QGURNBUYERXLOW-NQIIRXRSSA-N 481.644 2.026 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](Nc2ccccc2)C1 1301579070 MHZBVCLJAFQPKC-FQEVSTJZSA-N 455.588 2.360 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N(CCC#N)CC2CC2)n1C[C@@H]1N(C)CCCC1(C)C 1303818421 CEPKZQWYVYGMBL-AEFFLSMTSA-N 451.641 2.139 30 10 JEEE Cc1ccc([C@H](Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)[C@H](C)CC#N)N2CCOCC2)cc1 1304270870 AOPJOUDAGYFFQJ-GIVPXCGWSA-N 451.575 2.350 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1nc(C)cs1 1359025448 OYUVGLRMGGHNJB-KRWDZBQOSA-N 476.603 2.486 30 10 JEEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2Cc2ccc(OC)nc2OC)CC1 1359038380 UNFQDUHZCFPVNP-UHFFFAOYSA-N 476.581 2.288 30 10 JEEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccc(C(=O)N[C@H](C)C(=O)OCC)cc2)c1 1444958383 VBURAWRUFLHGMZ-MRXNPFEDSA-N 456.520 2.417 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@](C)(Cc2ccc(F)cc2)C(=O)OC)s1 1455222778 FSKIHKJUDIFKDV-HXUWFJFHSA-N 454.545 2.185 30 10 JEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 1507591706 NCIJXZVJUMTQKW-KRWDZBQOSA-N 465.620 2.429 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CC[C@@](C)(CC)O1)[C@@H]1CCS(=O)(=O)C1 1507624614 CLGAWJPLZUXPPL-JDBUVZGPSA-N 494.658 2.293 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1ccc(OC)nc1 1507661315 RWDJQTWRAHRUJR-UHFFFAOYSA-N 477.594 2.461 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@](C)(O)C1CC1 1507671897 RJIKREIKFBASHP-YADARESESA-N 457.575 2.210 30 10 JEEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1507755372 DUTJOQJUMXYQCE-SFHVURJKSA-N 480.685 2.005 30 10 JEEE C=C(Br)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1507778722 GJLYLFFAWSAAFU-BBRMVZONSA-N 468.327 2.417 30 10 JEEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1507833281 IAFGNIZQEDJKND-ICSRJNTNSA-N 485.658 2.225 30 10 JEEE C=C(C)COCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1507835889 PGFSJMWDEICTQV-QHCPKHFHSA-N 472.977 2.171 30 10 JEEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2nc(CC)ns2)CC1 1507915499 WIWMPEMUYDQYMD-HNNXBMFYSA-N 482.680 2.231 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@@]2(CCc3ccccc32)C1 1508071365 IMHGAWMCIHQDBH-VWLOTQADSA-N 466.586 2.177 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCc2cc(OC)c(OC)c(OC)c2CC1 1508079857 FLTMQLCYRLTENM-UHFFFAOYSA-N 466.542 2.206 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC(NC(=O)c2cc(C)oc2C)CC1 1508092003 XNUYQYQWWYACCG-FQEVSTJZSA-N 470.574 2.431 30 10 JEEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1508155910 SQFYICZQCSZIKL-QGZVFWFLSA-N 463.608 2.328 30 10 JEEE C[C@](O)(Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@](F)(C#N)C1)c1ccc(F)cc1 1510231485 BOBSWZKDRZCTCY-VXKWHMMOSA-N 453.453 2.414 30 10 JEEE CCN1C[C@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC(=O)N(CCOC)C2)C[C@@H]1C 1515822034 GZPDPPAGFLLIJL-JAXLGGSGSA-N 495.628 2.143 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@H]1CCCN1S(C)(=O)=O 1539002411 CUQLHUHCEZIHHR-ZWKOTPCHSA-N 497.625 2.118 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC1(S(C)(=O)=O)CC1 1539015890 WNYHSOZQVFTOPS-MRXNPFEDSA-N 465.620 2.428 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CN(Cc2ccccc2)CCO1 1539037699 IGJRTALBTYAUKE-SNJCGAMXSA-N 453.587 2.361 30 10 JEEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 1539044436 AUZOUTJCOAOUCM-PZJWPPBQSA-N 454.623 2.473 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccccn2)n1C[C@@H]1C[C@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1539253000 JZHBNLIMBOJOJZ-ZJOUEHCJSA-N 462.554 2.437 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1539491816 WUVUXZULKCCRKO-KRWDZBQOSA-N 455.588 2.033 30 10 JEEE C=C(C)Cn1c(N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1539723744 ZPKZOUMCNFEYTQ-BWKNWUBXSA-N 468.602 2.243 30 10 JEEE C=CCN(Cc1cccs1)c1nnc(CN2CCCC2=O)n1CC(=O)NCC(F)(F)F 1540146724 DYDSWNLZKDXNJC-UHFFFAOYSA-N 456.494 2.333 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1540899586 TXWUBPUPQHILFP-GOSISDBHSA-N 480.034 2.358 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@](C)(C(=O)NC)C1 1540908094 CAKUZDZVNHBRCS-NRFANRHFSA-N 482.006 2.074 30 10 JEEE CCn1nc(-c2nnc(N(CCC#N)CCOC)n2C[C@H]2CCOC2)c2ccccc2c1=O 1547738025 GNJPRGGWAIYKRX-QGZVFWFLSA-N 451.531 2.078 30 10 JEEE C=CCOC[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1)C(=O)OC 1568152934 TWMPRTMVUOSIOG-GOSISDBHSA-N 454.451 2.240 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(Cc2ccc(F)cc2)CC1 1587639480 MAHNSIYSLSKVIA-XLIONFOSSA-N 475.590 2.231 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2CCCN2CCOC2=O)c1 1587693408 SIKXJISXJINEHR-UHFFFAOYSA-N 473.537 2.162 30 10 JEEE C#CCCCCn1c(Cc2c(F)cccc2F)nnc1N1CCC(NS(C)(=O)=O)CC1 1587769059 ARVQKCIZTDRAEQ-UHFFFAOYSA-N 451.543 2.469 30 10 JEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(N2CCCC2=O)CC1 1587823780 YMJWMVZAQYRXGV-UHFFFAOYSA-N 484.626 2.200 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1Cc1cnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1588034369 FCQCDKPEIRDBJY-CQSZACIVSA-N 495.428 2.476 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1c(F)cc(F)c(F)c1F)[C@@H]1CCS(=O)(=O)C1 1588055223 UAWRKWAUPLZSQU-ZIAGYGMSSA-N 486.491 2.404 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@@H]1CCC=CO1)[C@H]1CCS(=O)(=O)C1 1588069538 QDKBBZVOXKRJNB-FPOVZHCZSA-N 456.568 2.485 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C 1588229089 QYCFTBVSSWPQOV-OALUTQOASA-N 477.631 2.146 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](CC)c3ccccc3)n2C[C@]2(C)CN(C)C2=O)CC1 1588890932 IVKVMCZLRDJPSN-LVXARBLLSA-N 462.598 2.264 30 10 JEEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1CCC2(CC1)OCCO2 1594626713 OGAOPVROHBMPKI-LJQANCHMSA-N 483.635 2.089 30 10 JEEE C=CCCCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1594646087 UKDRQKZYNBFXKB-CVDCTZTESA-N 468.650 2.485 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@H](O)CC2(CCCC2)C1 1595466039 CUOIYUYEVXGRLJ-LJQANCHMSA-N 487.004 2.295 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CCN(CCOC)CC1 1595497222 UGAGPNARFGFXAD-UHFFFAOYSA-N 497.825 2.432 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC(NC(=O)Nc2ccccc2)CC1 1595523506 WRUJRZJZCUFFAK-UHFFFAOYSA-N 462.558 2.376 30 10 JEEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H]1c1ccc(OCC)cc1 1595570137 YRGMQTCTHMRELV-FQEVSTJZSA-N 452.559 2.443 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC(=O)NCC(F)(F)F)C1 1595680171 HOGLGCRBIYBVIE-GFCCVEGCSA-N 477.285 2.496 30 10 JEEE N#CCn1cc(NC(=O)[C@@H](Cc2cccc(Br)c2)[C@@H]2CCS(=O)(=O)C2)cn1 1597840752 CIWOTJUZZLEMNQ-PBHICJAKSA-N 451.346 2.401 30 10 JEEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccn(-c2ccc(F)cc2)n1 1611307348 BFXFBWBJMFKOMP-IAGOWNOFSA-N 471.562 2.486 30 10 JEEE O=C(c1ccc(C(F)(F)F)c(F)c1)N1CCC(NS(=O)(=O)NCC(F)(F)F)CC1 1638986611 GFHGRGQYDNWKIC-UHFFFAOYSA-N 451.364 2.435 30 10 JEEE C=CCN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2COC[C@@H]2O)c1 1642291707 ZLAJAEIIUOANNB-UXHICEINSA-N 466.943 2.219 30 10 JEEE C#CCOc1ccccc1CNC(=O)N1C[C@@H](C(=O)OC)C2(C1)CN(C(=O)OC(C)(C)C)C2 1678937626 OZBJBLYYRILUKT-SFHVURJKSA-N 457.527 2.250 30 10 JEEE C#CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCNC(=O)c1ccco1 1689964164 HIAGRMCVYZFXOW-KRWDZBQOSA-N 456.547 2.485 30 10 JEEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1C[C@@H]1NC(=O)CC1(C)C)[C@@H]1CCS(=O)(=O)C1 1689996913 RAPXBEGQABUVJD-CTNGQTDRSA-N 499.637 2.015 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(Br)s2)n1CCN1CCN(C(C)=O)CC1 1690095940 JAIMAVWHNAJQSF-UHFFFAOYSA-N 495.447 2.019 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1690096245 QEGRMHMRHFWTJV-FCHUYYIVSA-N 482.610 2.107 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccccc3Br)n2C[C@@H]2CCCN2CCCO)CC1 1690119626 LRMNHTHGCLIFET-IBGZPJMESA-N 487.446 2.310 30 10 JEEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@](C)(c2ccccc2)C1 1690301586 WOUZWNGSUOGPQB-AVRDEDQJSA-N 463.604 2.233 30 10 JEEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)Cc1ccc(F)c(F)c1 1690669033 REGVOQCLLJESHP-UHFFFAOYSA-N 489.552 2.455 30 10 JEEE CC(C)(C)[S@@](=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@@](F)(C#N)C1 1691325928 HDYLZUAUNDXKOL-NBLPZQPVSA-N 474.610 2.441 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ncnn1C(C)(C)C 1692658746 BNDORTDSXPKBBB-HNNXBMFYSA-N 456.576 2.482 30 10 JEEE CN(C)[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1)C1CC1 1696600958 AIIXRLWXFHRKSV-FCHUYYIVSA-N 486.642 2.472 30 10 JEEE COc1ccc(Br)c(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@]2(OC)CCOC2)c1 1697320685 AUZXEWRXVSRKLL-MGPUTAFESA-N 478.347 2.250 30 10 JEEE C#CCN(c1nnc(C(C)C)n1CC1(CN2CCOCC2)CCCCC1)[C@H]1CCS(=O)(=O)C1 1705560415 KPOVVEZEKZLOCG-NRFANRHFSA-N 477.675 2.311 30 10 JEEE C#CCN(c1nnc(-c2ccc(Br)s2)n1CCOCC)[C@H]1CCS(=O)(=O)C1 1705561288 OURQPXZANXNTSA-ZDUSSCGKSA-N 473.418 2.432 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC1(OCC)CCCC1)[C@@H]1CCS(=O)(=O)C1 1705568482 OICCBTTZLABWMP-HXUWFJFHSA-N 474.631 2.116 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC[C@@]1(O)C[C@H]2CC[C@H]1C2 1705576129 GZGVDXOZUXJINJ-VAXXYWNWSA-N 452.580 2.363 30 10 JEEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1CCNC(=O)c1cccc(OC)c1 1705600406 XVRDKDFJUGVGOO-UHFFFAOYSA-N 481.560 2.418 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C)cc2OCC(F)(F)F)CC1 1705638542 NVKRLPIVTHYDIG-GOSISDBHSA-N 476.503 2.282 30 10 JEEE C#CCN1CCN(c2nnc(Cc3cn4ccccc4n3)n2CC[C@@H](OC)C(F)(F)F)CC1 1705641019 NHVLOEPUUDPQPY-GOSISDBHSA-N 461.492 2.239 30 10 JEEE C=C(C)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 1705722305 FPHYAOBPHDTPTL-UHFFFAOYSA-N 463.604 2.407 30 10 JEEE C=CCCCn1c(Cc2ccccc2OC)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1705820500 OLEGGDLEJHIDLI-UHFFFAOYSA-N 499.641 2.397 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCCOC2)n1CC1(O)CCS(=O)(=O)CC1 1705857319 TUIBPIXQUNOJPR-FQEVSTJZSA-N 490.626 2.313 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1705905140 KYPNYWCNDIOYNY-LJQANCHMSA-N 469.590 2.402 30 10 JEEE COc1cc(OC)cc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCC(=O)N2CCCCC2)c1 1711702993 CTNMAURCJUAUJW-HXUWFJFHSA-N 454.531 2.094 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1722281018 XNFCDOASFKGCHY-RLSLOFABSA-N 468.602 2.445 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](c2ccc(OC)cc2)C1 1722332121 DEDAUTPKGRJFHM-CTNGQTDRSA-N 473.599 2.027 30 10 JEEE C#CCN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1[C@@H]1C[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1722359268 RGUXQQDAVPPKJE-BMGDILEWSA-N 461.975 2.069 30 10 JEEE C#CCN(c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCN(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1722361367 ZIKMKCYEEQVNKD-FQEVSTJZSA-N 481.626 2.302 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccc(OC)cc1)N1CCCC1 1722384704 XOECGIGUODOUKX-GGAORHGYSA-N 481.622 2.099 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@H](C)N1CCOCC1 1722433306 ZVJOOYCBERHRGR-LJQANCHMSA-N 463.586 2.416 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@H]2CCC(=O)N2)CC1 1722441366 JCUQNKDPRYWVBM-MRXNPFEDSA-N 463.369 2.198 30 10 JEEE C#CCSCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1722460087 VGRFPKUGEQLINO-ROUUACIJSA-N 476.647 2.426 30 10 JEEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1722486928 GXDBRAIDQDIBNM-OCCSQVGLSA-N 453.366 2.477 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1722581099 APVXOZNKAQBUJO-AEFFLSMTSA-N 465.624 2.285 30 10 JEEE C=CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCN(C(=O)COC)CC1 1722614074 ALEXNFJBZWRZSU-UHFFFAOYSA-N 479.585 2.497 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H](CNC(C)=O)C1 1722691843 UUTFNAZYNLMQPQ-FUHWJXTLSA-N 458.538 2.212 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCN(C(=O)Cc3ccccc3F)CC2)nnc1C(C)(C)C 1722731120 DVNCWIRWCBXSJI-UHFFFAOYSA-N 477.606 2.207 30 10 JEEE C=CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(C(N)=O)CC1 1722738691 NTNOHUCKWKZLLX-UHFFFAOYSA-N 456.620 2.073 30 10 JEEE CS(=O)(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@H]2CCCCO2)CC1 1731009571 AAGDPQKTHOZGPH-HXUWFJFHSA-N 458.588 2.248 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1740563989 YNTHXVHNDJBTAH-KURKYZTESA-N 480.635 2.090 30 10 JEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccc(F)cc2C1 1740573362 BSPCAKRIRMJYAV-FQEVSTJZSA-N 461.563 2.116 30 10 JEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCc2sccc2C1 1740574350 KLXZUVRYOWXWEK-SFHVURJKSA-N 463.629 2.429 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(OC)cc2)n1C[C@H]1CC(=O)N(CCOC)C1 1740734569 IYUZNJGZJOLNCI-UQBPGWFLSA-N 467.570 2.353 30 10 JEEE C=C(Cl)Cn1c(N2CC[C@@H](N3CCN(CC)CC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1740817205 WUQRSDGZISGPDY-KNQAVFIVSA-N 453.031 2.287 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@H](OC)[C@H](OC)C1 1740988758 OLKIFTXZTXIMOR-HDICACEKSA-N 470.979 2.058 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCO[C@@](C)(CC)C1 1740993142 YUCONETYSBDXNS-UGKGYDQZSA-N 462.572 2.397 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](C)C1 1740993158 YXBKRJFEUMUBJK-DLBZAZTESA-N 469.608 2.034 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCC[C@@H](C(F)(F)F)C2)nnc1[C@@]1(OCC)CCOC1 1740994427 RHMHVHWSGGYLBD-CRAIPNDOSA-N 466.526 2.310 30 10 JEEE C=CCSCCn1c(-c2cnccn2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1741000418 QPOAJXNZGPDJQO-NQIIRXRSSA-N 470.647 2.033 30 10 JEEE C[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1)Oc1ccccc1F 1741854405 GBQAPHMQJIROJW-SXGZJXTBSA-N 451.499 2.229 30 10 JEEE C[C@H](N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)C2CC2)CC1)C(F)(F)F 1741894509 FQVOIORPXCTZDA-HNNXBMFYSA-N 461.492 2.416 30 10 JEEE CCOCc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1C[C@@H]1CCOC[C@H]1OC 1747174658 GVZZESMIUBMDRN-XZOQPEGZSA-N 468.602 2.450 30 10 JEEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1748744981 ITFBEYSDGZVSRO-GOSISDBHSA-N 461.570 2.491 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1CC1=CCCOC1)[C@H]1CCS(=O)(=O)C1 1748805389 RAGMGOFKSGXQLL-KRWDZBQOSA-N 494.415 2.020 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@]1(C)CN(C)C1=O)[C@@H]1CCS(=O)(=O)C1 1748807727 BXISQGGMVGRYKM-VFNWGFHPSA-N 496.420 2.357 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1CC1(N2CCOCC2)CCCCC1 1748948433 MTBJANCWQSDASE-UHFFFAOYSA-N 481.601 2.047 30 10 JEEE C=C(Cl)Cn1c(Cc2ccccc2OC)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1749272553 VGJQWQBIXWKTIY-JOCHJYFZSA-N 458.950 2.445 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCc3cc(F)cc(F)c3C2)nnc1[C@]1(OCC)CCOC1 1749739845 KYMBSBGXJDHGKP-QFIPXVFZSA-N 482.553 2.372 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N(C)C[C@@H]1CN(CC)c2ccccc2O1 1749741044 NPSIFQYVVIRHGQ-WIYYLYMNSA-N 475.615 2.454 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@]1(C)CCCO1)[C@H]1CCS(=O)(=O)C1 1760180637 IPPKTZMZYODULJ-KXBFYZLASA-N 482.404 2.232 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CC1(O)CC(OCC)C1)[C@H]1CCS(=O)(=O)C1 1760183775 RFHOVYNIEUKTBH-MFMCRYCZSA-N 472.611 2.064 30 10 JEEE C#CCN(c1nnc(CC)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C)[C@H]1CCS(=O)(=O)C1 1760186860 RKWQPIVSWYQLKO-IRXDYDNUSA-N 453.609 2.017 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1760193447 ZUCYQYISBWIQLJ-IYWMVGAKSA-N 464.632 2.393 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](c2ccccc2)N(CC)CC)CC1 1760259804 QFPKFMXVKLCHLD-GOTSBHOMSA-N 484.670 2.019 30 10 JEEE C#CCN1CCN(c2nnc(-c3nn(CCC)c(=O)c4ccccc34)n2C[C@H](CC)OC)CC1 1760260190 NVCMQKHDMCOMCO-IBGZPJMESA-N 463.586 2.245 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCCN(CC(F)(F)F)CC1 1760325414 QRWVGOGAAUBOFJ-PXNSSMCTSA-N 470.540 2.456 30 10 JEEE C=C(C)COCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC(CC(N)=O)CC1 1760355833 XYODAPJBINUZDU-UHFFFAOYSA-N 479.585 2.359 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCNC(=O)[C@@H]1CC 1760518927 MFIDVHIYYFHSJK-IBGZPJMESA-N 464.526 2.134 30 10 JEEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCN(Cc2cc(OC)cc(OC)c2)CC1 1760523973 MFEBLYDWXWQUAH-UHFFFAOYSA-N 454.575 2.187 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC(=O)NC)CC1 1760532669 AZMASHZLWVXVIC-HXUWFJFHSA-N 487.626 2.146 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1760552559 SBYNXNUULMMRDZ-MRXNPFEDSA-N 470.592 2.089 30 10 JEEE C=CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1760561492 BVIDVGBKHHUQNE-QGZVFWFLSA-N 468.587 2.405 30 10 JEEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ncnn1C(C)(C)C 1767063366 CKVJNRGSCCXMGZ-GOSISDBHSA-N 468.587 2.083 30 10 JEEE N#Cc1ccc(-c2nnc(N3CCC(CCC(N)=O)CC3)n2CCN2CCSCC2)cc1 1770732672 HCYROTIJBVSGOC-UHFFFAOYSA-N 453.616 2.347 30 10 JEEE COc1ccc(-n2cc(/C=N\NC(N)=S)c(-c3ccc4c(c3)CC(=O)N4C)n2)cc1OC 1857807480 KTDBBRVHMCABFF-MYKKPKGFSA-N 450.524 2.243 30 10 JEEE C=CCNC(=O)[C@@H](CCC)NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccc3c(c1)OCO3)C2=O 1861509226 SBHVSBBTBFLOGJ-LJQANCHMSA-N 463.490 2.412 30 10 JEEE O=C([C@H](Cc1ccccc1)N=C1NS(=O)(=O)c2ccccc21)N(CCO)Cc1ccccc1 1869928070 OWCCCSRGSVWJHR-QFIPXVFZSA-N 463.559 2.358 30 10 JEEE N#Cc1nnn(Cc2cc([N+](=O)[O-])cc3c2OCOC3)c1NC(=O)c1ccc([N+](=O)[O-])cc1 1870105450 SRMMWMJZBMFWIR-UHFFFAOYSA-N 451.355 2.133 30 10 JEEE N#Cc1ccc(NC2=C(c3cc(F)c(F)cc3F)C(=O)N(CCN3CCOCC3)C2=O)cc1 1873245208 BFVYBZYMCJPJSB-UHFFFAOYSA-N 456.424 2.500 30 10 JEEE C=CCn1c(C(=O)Nc2ccc(C(=O)NCCN(CC)CC)cc2)cc2c(N(C)CCO)ncnc21 1873663383 BRXOHSQDIHPCHR-UHFFFAOYSA-N 493.612 2.370 30 10 JEEE C[C@@H](C(=O)Nc1c(C#N)cnn1-c1cc(F)cc(F)c1)N1C(=O)c2ccc(C(=O)O)cc2C1=O 1873684438 DKEGMJHBMZUOGS-JTQLQIEISA-N 465.372 2.344 30 10 JEEE CN(C1CN(c2ccc3nnc(-c4cccc(F)c4)n3n2)C1)S(=O)(=O)c1cccc(C#N)c1 1891356638 OPAMIRZNYLGBKL-UHFFFAOYSA-N 463.498 2.311 30 10 JEEE CC(=O)N1CCN(C(=O)c2ccc(C(=O)N3CCC(CN(C)c4ncccc4C#N)CC3)cc2)CC1 1891361981 UIVZROIEOVKYNQ-UHFFFAOYSA-N 488.592 2.246 30 10 JEEE Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CCC(=O)N1CCC(COc2ncccc2C#N)CC1 1891389804 KBDFJNMYRFACBU-NRFANRHFSA-N 485.610 2.376 30 10 JEEE CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2185157011 BLKOOLZKWOCZBN-KRWDZBQOSA-N 462.352 2.058 30 10 JEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](COc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)[C@H]1OC 2241099775 LUVSLPAROKOEQA-YQVWRLOYSA-N 464.368 2.409 30 10 JEEE C=C(CS(=O)(=O)N1CC[C@H](C)[C@@H](NC(=O)C(F)(F)F)[C@H]1C)B1OC(C)(C)C(C)(C)O1 2255799698 MMFBJXLBCZFUQO-IACUBPJLSA-N 454.320 2.281 30 10 JEEE CCc1nc(C(=O)N[C@@H]2COC[C@@H]2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2267164407 RFDKPJWUEXNGAH-OLZOCXBDSA-N 467.397 2.027 30 10 JEEE CC[C@@H](CN(CC)C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1)NC(=O)OC(C)(C)C 2267186214 GNMAPCYUIYQYQC-HNNXBMFYSA-N 450.389 2.485 30 10 JEEE C[C@H]1CN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)CC[C@@H]1NC(=O)C(F)(F)F 2267366376 FODAAKCARFPNKO-AAEUAGOBSA-N 482.355 2.125 30 10 JEEE CC(C)(C)OC(=O)N[C@]12CCC[C@]1(F)CN(C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C2 2281926258 LMHBMMXGFRKSRB-VXKWHMMOSA-N 464.347 2.320 30 10 JEEE Cn1cc(C(=O)N[C@@H]2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)nc1B1OC(C)(C)C(C)(C)O1 2282033120 PBBPUZBQXKTSOP-OWCLPIDISA-N 460.384 2.095 30 10 JEEE CN(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)[C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 2282174514 GJDUPKJRVQYSDX-LSDHHAIUSA-N 463.388 2.022 30 10 JEEE CC(C)(C)OC(=O)N1[C@@H](CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)COC1(C)C 2282190899 TVDIEHILIBUFRF-INIZCTEOSA-N 461.368 2.483 30 10 JEEE COC[C@H](ONC(=O)OC(C)(C)C)C(=O)N1CCc2cc(B3OC(C)(C)C(C)(C)O3)ccc21 2283945486 BLZLZJLWDOJGJY-SFHVURJKSA-N 462.352 2.346 30 10 JEEE CC(C)(C)OC(=O)NCc1ncc(C(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)cn1 2283980886 FZRWHNLXQRTDQL-UHFFFAOYSA-N 455.324 2.448 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](C(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)cs1)[C@@H](O)C(F)(F)F 2284129241 MHCXZNVKWMIPPT-ZIAGYGMSSA-N 494.341 2.480 30 10 JEEE Cn1cc(C(=O)NCc2csc(CNC(=O)OC(C)(C)C)n2)nc1B1OC(C)(C)C(C)(C)O1 2286745788 COVWXRIQEWZPBI-UHFFFAOYSA-N 477.396 2.131 30 10 JEEE CN(CC1(O)CN(C(=O)OC(C)(C)C)C1)C(=O)c1cccc(F)c1B1OC(C)(C)C(C)(C)O1 2287303117 XIJAZLMXHSHDTO-UHFFFAOYSA-N 464.343 2.179 30 10 JEEE CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1)C(=O)O 2289799081 SEXFWKKWHGFHMA-HNNXBMFYSA-N 465.356 2.192 30 10 JEEE N#Cc1ccc(N2CCC([C@H]3CN(C(=O)c4cnccn4)C[C@H]3C(N)=O)CC2)cc1C(F)(F)F 2297650907 WFDXFNCJQXKIMV-QZTJIDSGSA-N 472.471 2.457 30 10 JEEE CC1(C)OB(c2sncc2C(=O)N[C@H]2CCOC[C@H]2NC(=O)OCc2ccccc2)OC1(C)C 2315684421 NDYOJVZGHGFJDT-ZWKOTPCHSA-N 487.387 2.256 30 10 JEEE COc1cc(C=Nn2c(SCCO)nnc2[C@@H]2CC(=O)N(Cc3ccccc3)C2)ccc1O 2325924797 JUGHVLFYBCGBKK-GOSISDBHSA-N 467.551 2.475 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CS(C)(=O)=O)C(=O)N1CC(B2OC(C)(C)C(C)(C)O2)=CCC1(C)C 2362510499 YZWQYLLUJKHJAZ-MRXNPFEDSA-N 486.440 2.493 30 10 JEEE COc1[nH]c(=NC[C@@H]2C[C@@H](OC)CN2C(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2365349117 ZRGYCHFWTUHJHR-JKSUJKDBSA-N 463.384 2.248 30 10 JEEE C[C@@H](CN=c1cc(B2OC(C)(C)C(C)(C)O2)c(F)c[nH]1)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 2372001073 ROCXTUJAFOGUNP-NPMXOYFQSA-N 465.375 2.362 30 10 JEEE CCC[C@H]1O[C@@H]2C[C@H]3[C@@H]4C[C@H](O)C5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)COC(C)=O)O1 72130035 PROKXHPTCWWSAS-DZVSFKFVSA-N 488.577 2.258 30 10 JEEE in-vitro C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]1COc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 204869023 OZSTWINYGOMVIU-DOTOQJQBSA-N 476.383 2.059 30 10 JEEE Cc1cc(C)c(C#N)c(SC2=C(N(C)CCO)C(=O)N(c3cccc(N(C)C)c3)C2=O)n1 526696275 USAHRWSCAHVRCO-UHFFFAOYSA-N 451.552 2.437 30 10 JEEE C#CCNC(=O)CN1CCN(C(=O)[C@@H]2C[C@H]3CCCC[C@H]3N2C(=O)c2cccc(Cl)c2)CC1 728530845 VWXBTYGIJHNQHU-QIJUGHKUSA-N 471.001 2.007 30 10 JEEE C[C@@H](OC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ccc(N2CCCC2)cc1 853705100 FGGADFVVQCWLNF-MRXNPFEDSA-N 456.524 2.007 30 10 JEEE C=CCn1c(-c2ccc(Cl)cc2)nn(CN2CCN(S(=O)(=O)N3CCOCC3)CC2)c1=S 913063989 LXXCCJSRHAKKJW-UHFFFAOYSA-N 499.062 2.073 30 10 JEEE C[C@@H](OC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C(=O)Nc1sc2c(c1C#N)CCC2 919318151 DGQGPGCJISUKSK-CYBMUJFWSA-N 457.533 2.465 30 10 JEEE CCN(CC)C(=O)[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2C=Nn2c(N)cc(=N)nc2S)C1 1084217010 JKNBNARDQSUGTQ-CQSZACIVSA-N 472.575 2.109 30 10 JEEE N[C@H]1CCCC[C@@H]1/N=C(/Nc1ccc(S(N)(=O)=O)cc1)N1CCN(C2CCCCC2)CC1 1088685120 KUMGSNGLCDLSFN-VXKWHMMOSA-N 462.664 2.322 30 10 JEEE N#Cc1ccc(S(=O)(=O)N2CCC(S(=O)(=O)N3CCCC3)CC2)cc1C(F)(F)F 1189671167 GOJFRFOFEABWPK-UHFFFAOYSA-N 451.492 2.156 30 10 JEEE C#CCN(C1CCN(C)CC1)S(=O)(=O)c1cc2c(cc1Br)CCCC(=O)N2 1195259963 FIUIYEJGTIZHKE-UHFFFAOYSA-N 454.390 2.442 30 10 JEEE N#Cc1cc(S(=O)(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)ccc1Br 1209989546 DNTZFSDNFKXUEJ-IBGZPJMESA-N 450.358 2.236 30 10 JEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1286322878 HNMRGVZHFOHBHW-GOSISDBHSA-N 472.571 2.219 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H](C)CN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1286388753 VGHQKDDSJHJQFF-SIKLNZKXSA-N 466.611 2.175 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C(F)(F)F)c1 1286430902 KURZJDVDHUPQDL-IBGZPJMESA-N 495.527 2.141 30 10 JEEE C#CCN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cccc(N2CCOCC2)n1 1286437670 QKHDYPNLVYBQRL-DEOSSOPVSA-N 454.575 2.058 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@@H]2CCCCS2(=O)=O)CC1 1286474118 BCKAAZIAGWMRAV-FQEVSTJZSA-N 487.626 2.075 30 10 JEEE C#CCN1CCN(c2nnc(-c3cnccn3)n2Cc2cccc(OCC(F)(F)F)c2)CC1 1286476922 JVGSQMKQHFNALC-UHFFFAOYSA-N 457.460 2.480 30 10 JEEE C#CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(CNC(C)=O)CC1 1286506334 HTSYRKLXDFJBCN-UHFFFAOYSA-N 482.658 2.171 30 10 JEEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCC(CC(=O)N2CCN(CC)CC2)CC1 1286704115 ZNDFAOJPHKUFMV-UHFFFAOYSA-N 471.650 2.137 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2CCCC[C@H]2C1 1286796990 ZGBRUCWISXCNSA-ICSRJNTNSA-N 474.631 2.176 30 10 JEEE CN(CCOC(C)(C)C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1298753049 GZIQOUAORSRYNV-LJQANCHMSA-N 460.604 2.492 30 10 JEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1300390861 BHCXZOBCUKNTBJ-HXUWFJFHSA-N 486.642 2.351 30 10 JEEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1C[C@H](C)CN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1300481856 CBJFEAITCQBIRY-GMKZXUHWSA-N 499.681 2.415 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCN(C(C)C)C(C)C)[C@H]1CCS(=O)(=O)C1 1300493200 SKBLPSNJJFFMRW-FQEVSTJZSA-N 458.632 2.394 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 1300501002 GKQPBZUJMPCVBH-FQEVSTJZSA-N 473.002 2.468 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccn2C)n1CC[C@H](N1CCOCC1)C(F)(F)F 1300664117 MVFRQJKVKKATLG-SFHVURJKSA-N 454.497 2.023 30 10 JEEE C#CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1Cc1ccc(NC(N)=O)cc1 1300673347 JDKRFCVTMIKXAH-UHFFFAOYSA-N 458.526 2.142 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H](OC)C(C)C)CC1 1300718719 VOSVNKPZZAYWGN-HXUWFJFHSA-N 454.531 2.490 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCOC2CCCC2)CC1 1300731675 SASBRIMUUKIAPJ-UHFFFAOYSA-N 467.618 2.455 30 10 JEEE C=C(Br)Cn1c(COCC)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1300861439 IVEYVAKEOVMXOH-CRAIPNDOSA-N 469.428 2.102 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 1300892777 VJBJDIVDFQXCGA-XXBNENTESA-N 487.626 2.422 30 10 JEEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(c2ccccc2C#N)CC1 1300972857 QMIDUWCSKMULFA-IBGZPJMESA-N 487.630 2.069 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@H](C(=O)OC)C1 1301501525 YSWXFMAEKMZVJS-ZWKOTPCHSA-N 490.605 2.084 30 10 JEEE CC(C)NC(=O)Nc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CC[C@](F)(C#N)C2)cc1 1303459310 ATVRSZPEOAAGBZ-QHCPKHFHSA-N 468.537 2.421 30 10 JEEE C=CCn1cc(CNC(=O)NCc2cccc(NS(=O)(=O)c3ccc(OC)cc3)c2)nn1 1311988426 ZRRKMFFOSFUKAY-UHFFFAOYSA-N 456.528 2.273 30 10 JEEE CN(C[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCOC2)C1)S(C)(=O)=O 1314803314 FSLQFOXOVAQOEK-WOJBJXKFSA-N 472.615 2.351 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H](C(C)C)N1CCOCC1 1358889942 JIWOQMDJYYPWET-RBBKRZOGSA-N 466.634 2.267 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2Cc2ccc(N(C)C)nc2)c1 1358902544 RIJNPAVJTSCRHB-HXUWFJFHSA-N 459.554 2.348 30 10 JEEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1358966370 NKMZMURSHIPUQK-KZNAEPCWSA-N 475.640 2.333 30 10 JEEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1CC[C@@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1358967350 IYJNLQIOXGZYIS-CTNGQTDRSA-N 488.610 2.452 30 10 JEEE C=C(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)CCN1CCOC(C)(C)C1)c1ccccc1 1359137822 BSFFKVSKIKXTSM-LJQANCHMSA-N 476.647 2.149 30 10 JEEE C=C1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1359161832 SJLCGVCRXYXMST-KRWDZBQOSA-N 473.418 2.475 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(Cc1ccc(Cl)cc1)Cc1cnn(C)c1 1359298756 KVZGODUXUVKMTF-IBGZPJMESA-N 482.976 2.125 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1359333835 LQUUDBMCRHLJOB-HKUYNNGSSA-N 490.630 2.214 30 10 JEEE CC(C)CN1CCO[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(S(C)(=O)=O)CC2)C1 1360034005 BBYXNLXSWJBGMN-NRFANRHFSA-N 486.642 2.187 30 10 JEEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@@H](C)SC[C@H]1C(=O)NCCC(=O)OC 1450969693 UWWHXZOBNJHASZ-PMPSAXMXSA-N 457.593 2.205 30 10 JEEE C#CC1CCN(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)CC1 1452174922 HPNTZCUMEINUAE-UHFFFAOYSA-N 459.612 2.295 30 10 JEEE C#CCN(C(=O)N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O)[C@H]1CCS(=O)(=O)C1 1470077796 ZKESBSCHAMRMMB-GOEBONIOSA-N 458.367 2.321 30 10 JEEE COc1ccccc1Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@@H](C)OC 1504409259 DCKKHHYDSMCMDE-QZTJIDSGSA-N 462.558 2.289 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1nnc2n1CCC2 1507531106 AOUWFJRRHUFSOC-DLBZAZTESA-N 454.579 2.437 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OCC)CCOC3)n2C[C@H]2CCCN2CC)c1 1507548841 DCQGMFRYHZIZAY-GJZUVCINSA-N 480.613 2.471 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccc(C)n3)n2CC(=O)NCC2CC2)c1 1507548872 DEGIOPOKMQRRFJ-UHFFFAOYSA-N 457.538 2.231 30 10 JEEE C#CCCCCn1c(Cc2cccnc2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1507565597 CZZHOCHGTLBGDI-DEOSSOPVSA-N 465.646 2.299 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CCOc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1507635485 SLVRAIOAWLALBT-OAQYLSRUSA-N 465.579 2.278 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCc2ccc(OC)cc2OC)CC1 1507736810 SRVCHCOOHPZXCZ-UHFFFAOYSA-N 462.554 2.499 30 10 JEEE C=CCNC(=O)Cn1c(Cn2ccc3ccccc32)nnc1N1CCC(NC(=O)C(C)C)CC1 1508095825 WIJZMLIBGCXXGC-UHFFFAOYSA-N 463.586 2.324 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2csc(-c3ccco3)n2)C1 1508118113 WRTGYNYVNIPTAF-ZBFHGGJFSA-N 478.600 2.434 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCN(CC(F)(F)F)C2)C1 1508131284 LQMJZMUCCKJVMR-DLBZAZTESA-N 456.513 2.066 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1508136003 QPVKYTQUFFXOCZ-AOMKIAJQSA-N 493.561 2.189 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N(C)C1CCN(Cc2ccccc2)CC1 1508139429 GPTAOBSRCUZQIE-UHFFFAOYSA-N 481.626 2.437 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1508149152 OKUPEZPVBRJFMR-JPYJTQIMSA-N 494.589 2.371 30 10 JEEE CC(C)N1CCC(O)(Cn2c(C(=O)Nc3ccccn3)nnc2N(CCC#N)CC2CC2)CC1 1509546316 BHHJIRDLRBRALW-UHFFFAOYSA-N 466.590 2.291 30 10 JEEE CN(C)C(=O)CC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCCS2(=O)=O)CC1 1516957775 GTEXIXBJYUEXHA-NRFANRHFSA-N 484.626 2.479 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1539030534 RTWDNRYZDLFSDL-DENIHFKCSA-N 463.586 2.129 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H](C)OC)c1 1539039728 FYVYLPSKUXYBEM-HOYKHHGWSA-N 455.559 2.410 30 10 JEEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](CC(N)=O)C1 1539126482 WFOLPNUGVASOBT-QZTJIDSGSA-N 460.579 2.092 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H](C)Oc1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1539212210 SXUXKIUAHNRSRW-RBUKOAKNSA-N 481.578 2.443 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1CCN(CC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1539219387 JLRGNZSIXUJKEI-JOCHJYFZSA-N 455.628 2.288 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCCCO2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1539413951 PJICRZFOJMMXNL-QZTJIDSGSA-N 459.513 2.259 30 10 JEEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1cccc(CO)c1 1539416148 KNBMGKYXWDMZJU-UHFFFAOYSA-N 461.570 2.079 30 10 JEEE C=C(Br)Cn1c(-c2cccnc2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1539585863 BFDBBDMFXYMXBD-KXBFYZLASA-N 474.407 2.238 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)c1cc(C)oc1C 1539668738 DENOXYSQRBIECF-UGKGYDQZSA-N 481.619 2.131 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)C[C@@H]1CCCCO1 1540902829 RPKLNZZVBLMBOY-FQEVSTJZSA-N 489.646 2.058 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(C2CCCCC2)CC1 1540902979 VGTMJFMETYTYOI-LJQANCHMSA-N 451.637 2.228 30 10 JEEE C=CCn1c(S)nnc1Cc1csc(NC(=O)[C@@H]2CN(C(=O)C(C)(C)C)CCO2)n1 1546213140 LQFLOIBEMRFTEW-ZDUSSCGKSA-N 450.590 2.012 30 10 JEEE Cc1cc(NC(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)n([C@H]2CCS(=O)(=O)C2)n1 1562112869 CNZGRNAVIGYOCJ-ADKAHSJRSA-N 458.544 2.330 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCCN(CC)S(C)(=O)=O 1587620595 IALPIEIJDKCILW-SFHVURJKSA-N 499.641 2.365 30 10 JEEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](C(=O)OC)[C@H](CNC(=O)OC(C)(C)C)C1 1587879700 ZGRWVRCIHNTVRU-WOJBJXKFSA-N 499.616 2.303 30 10 JEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc([C@H](C)O)cc1 1588123968 ABCIWUZLJNEIKF-SFHVURJKSA-N 462.579 2.413 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)c1ccccc1Cl 1588229146 RJIBWZSJORRNGL-VGSWGCGISA-N 460.987 2.204 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2Cc2ccccc2OCCN(C)C)CC1 1588914064 UVBHARIRXXBRKY-UHFFFAOYSA-N 489.624 2.238 30 10 JEEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1589053119 HRIAXPLTGATLAV-FQEVSTJZSA-N 467.643 2.148 30 10 JEEE C#CCSCCn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)CC(=O)N1CCOCC1 1589053814 VBWAOSWWBQFYSZ-UHFFFAOYSA-N 466.567 2.262 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(C)cc2)nnc1N1CCN(C(=O)COC)CC1 1589568503 JYMAZHBQSYZRLP-RDPSFJRHSA-N 469.586 2.442 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@H](OCCOC)C1 1595507019 TZSVWWCPSNHRDL-HNNXBMFYSA-N 482.354 2.391 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N(C)Cc1ccc([S@@](C)=O)cc1 1595562418 YEAXNBXIDWAPHH-UUWRZZSWSA-N 477.594 2.193 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC(c2cnn(CC)c2)CC1 1595785193 TYTDIKPQUZRSSQ-UHFFFAOYSA-N 457.604 2.485 30 10 JEEE CCN(CCCn1c(-c2cccn2C)nnc1N(C)Cc1cccc(C#N)c1)S(C)(=O)=O 1615620108 GKPZTZKUWAFQIN-UHFFFAOYSA-N 455.588 2.463 30 10 JEEE COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCn2cc(Br)cn2)CC1 1618894981 CIRYVMCNFNDPQE-UHFFFAOYSA-N 485.346 2.364 30 10 JEEE C=CCn1c(S)nc2cc(C(=O)N[C@H]3CCCN(c4nc(C)cc(O)n4)C3)ccc2c1=O 1638189909 BHXHXXIBKXPGTH-HNNXBMFYSA-N 452.540 2.074 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1(O)CCN(C(C)C)CC1 1649538587 FHTMFQRJFVEEAH-GOSISDBHSA-N 487.674 2.240 30 10 JEEE CN1C(=O)c2cccc3c(S(=O)(=O)N[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]4C#N)ccc1c23 1654905447 HLEMKMTUMJXGGH-CJNGLKHVSA-N 456.524 2.467 30 10 JEEE COc1ccc(C(=O)N2CCN(S(=O)(=O)c3cc(C#N)ccc3C)CC2)c(OC)c1OC 1661980882 FCFIMFXILZIOSH-UHFFFAOYSA-N 459.524 2.039 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCc1ccc(Cl)s1)[C@H]1CCS(=O)(=O)C1 1689978519 XNFXSEJYFSNPOL-AWEZNQCLSA-N 470.020 2.001 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@H](c2ccsc2)N(C)C)CC1 1690142554 QFDWELNKPPWZJJ-HXUWFJFHSA-N 464.599 2.065 30 10 JEEE C=C(Br)Cn1c(N2CCC3(CC2)CNC(=O)C3)nnc1[C@@]1(OC(C)C)CCOC1 1690234603 JEICVPXOZYRSFN-HXUWFJFHSA-N 468.396 2.334 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@](O)(c2cccc(F)c2)C1 1690236372 LZLHUWWGRDRAFD-TVLQYADYSA-N 493.605 2.107 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccnc2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1690243690 OESZFWMXDRCBCH-AZUAARDMSA-N 460.604 2.229 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCc2ccccc2)CC1 1690313507 WBOXVSFMFDOPII-JOCHJYFZSA-N 473.643 2.138 30 10 JEEE C=CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(CC(=O)NC(C)C)CC1 1690461133 UWSIYJGNNSJEGL-UHFFFAOYSA-N 492.628 2.195 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC(C(=O)NC)CC1 1690660984 SCWCHAOHYIEQNK-GOSISDBHSA-N 454.575 2.300 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1690725204 IKCAVNITSAJOII-GHTZIAJQSA-N 494.061 2.280 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(Br)cc2)nnc1N1CCOCC1 1690729379 NPJQELJFVQJHRV-UHFFFAOYSA-N 471.377 2.057 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)c1ccc(OC)cc1 1705533788 ZWODAUHJPWDZIG-FXAWDEMLSA-N 461.588 2.230 30 10 JEEE C#CCCCn1c(N2CCN(CCN3[C@H](C)CC[C@H]3C)CC2)nnc1[C@@]1(OCC)CCOC1 1705539636 XMWNEURUWGJBCB-TZBSWOFLSA-N 458.651 2.338 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC[C@@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1705560364 GDOVOYRZIUZNNJ-UXHICEINSA-N 473.555 2.439 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCCOC[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 1705563309 UWNAXGOIWRDKRY-VXKWHMMOSA-N 483.594 2.029 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H](C)Oc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1705564962 GHAQRFLNTWYPMR-NLWGTHIKSA-N 476.574 2.405 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCOc2ccccc2C)CC1 1705644827 CQWINHDFCSJYHL-AREMUKBSSA-N 481.597 2.283 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@@H](N2CCCC2=O)C1 1705694760 SZAUWUQEVMJWFV-DSKINZAPSA-N 458.607 2.379 30 10 JEEE C=CCN(c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@]1(O)CCS(=O)(=O)C1)C1CC1 1705850728 GHDYGABZWRJRLJ-HSZRJFAPSA-N 476.599 2.445 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(NC(C)C)CC1 1705895360 DHEOHZSYOORXFJ-UHFFFAOYSA-N 450.385 2.305 30 10 JEEE C=CCSCCn1c(N2CCN(C(=O)[C@@H]3CCCO3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1705949798 JONTYECNZKYSPC-WMZHIEFXSA-N 479.647 2.066 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1nnc(C)s1 1722293218 ZHQPRMNKADYXTI-GOEBONIOSA-N 461.592 2.447 30 10 JEEE C#CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(C)=O)C[C@@H]1C 1722317267 RQOCCUYAVSAWJN-ICSRJNTNSA-N 474.606 2.447 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1Cc1csc([C@@H](C)OC)n1)[C@@H]1CCS(=O)(=O)C1 1722361681 OHCSJGJAAUFGPY-NVXWUHKLSA-N 474.612 2.123 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CC1(CCOC)CCC1)[C@H]1CCS(=O)(=O)C1 1722366504 QXYROSRWDMMJOB-FQEVSTJZSA-N 457.600 2.097 30 10 JEEE C#CCN(c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H](CCC)OC)[C@H]1CCS(=O)(=O)C1 1722368930 UNXPABRBDNMJPD-DLBZAZTESA-N 484.582 2.036 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H](SC)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1722370324 NEKINQBVWJVJDE-OKYOBFRVSA-N 484.688 2.407 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCC[C@H]1C 1722382502 AIWCTRLRZXIKJT-WOJBJXKFSA-N 456.591 2.144 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC2CCS(=O)(=O)CC2)CC1 1722432215 XEOCDPYSDBHSMY-GOSISDBHSA-N 475.590 2.137 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2Cc2ccc(C[S@](C)=O)cc2)CC1 1722446866 AMLRPOQULQULHO-YTTGMZPUSA-N 453.612 2.438 30 10 JEEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1722459369 IXDFJFDBJYNRRS-QGZVFWFLSA-N 496.684 2.162 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(CC)CC)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1722466009 IYXNDKIOOCXNHJ-LJFZDNNRSA-N 490.674 2.393 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1722509770 YIMBPZRGIGUDNZ-INMHGKMJSA-N 474.503 2.233 30 10 JEEE C=C(C)COCCn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1722530100 NMIGOUHNVUTUBP-SFHVURJKSA-N 466.546 2.078 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@]2(CCOC2)C1)C(C)C 1722663039 QLCOGBXSJGBJJS-OFVILXPXSA-N 472.634 2.208 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(CC(=O)Nc2ccccc2CC)CC1 1722694317 RZVNRBRTGPVCRI-UHFFFAOYSA-N 491.596 2.472 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCO3)n2Cc2cccc(OCC(=O)N(C)C)c2)C1 1722720888 CCWNLUGNSQTPBX-NHCUHLMSSA-N 455.559 2.426 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCNC(=O)[C@H]2CC)nnc1C1(c2ccccc2)CCC1 1722731031 BHNKEZNAQDBXQF-LJQANCHMSA-N 457.600 2.064 30 10 JEEE CCCN1CC[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(NC(=O)COC)CC2)C1 1728119155 HIPPKFANFVNJGB-FQEVSTJZSA-N 465.602 2.280 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@@H]1CCO[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1740618787 CDNRKHUYUWQDDE-QWFCFKBJSA-N 458.584 2.396 30 10 JEEE C#CCN(c1nnc(CC)n1Cc1ccc(N2CCSCC2)cc1)[C@H]1CCS(=O)(=O)C1 1740627021 XJPQZLZFRMMFDQ-FQEVSTJZSA-N 459.641 2.069 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@H](C)N1CCN(CC)CC1 1740630802 MDADWYSIBZTVPQ-NRFANRHFSA-N 456.598 2.434 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1740680964 UMVMCIQSUVXQED-JXFKEZNVSA-N 464.364 2.460 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2CCN(C)CC(F)(F)F)CC1 1740703357 PDJSMRSMMHMXQA-UHFFFAOYSA-N 478.519 2.414 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H]2CSCCS2)CC1 1740707138 QNHMYETWMUHIQY-GOSISDBHSA-N 476.697 2.448 30 10 JEEE C=C(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC(N2CCNC2=O)CC1 1740777703 ZYFGDHRGHGFKDQ-UHFFFAOYSA-N 457.966 2.432 30 10 JEEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1740793464 JSHXVXTYKWIHHQ-QPPBQGQZSA-N 481.645 2.236 30 10 JEEE C=CCCOCCn1c(N2CCS(=O)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740888687 RQYXXKLXUMYZLJ-CALCHBBNSA-N 453.609 2.210 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCOC3)n2CCNc2nccc(C(F)(F)F)n2)C1 1740982968 ZCGLNLQMXPGHLJ-CABCVRRESA-N 453.469 2.484 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1740990081 HXTCXZPFLVLSSA-UHFFFAOYSA-N 497.581 2.484 30 10 JEEE CCNC(=O)C(C)(C)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC(C#N)CC1 1746473705 AEZIBRLPQATGGP-UHFFFAOYSA-N 486.646 2.449 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CCc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1748801548 CPESKKLNOWKURS-LJQANCHMSA-N 475.590 2.205 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCCOC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1748809574 NTALIVAFMAOVBT-SFHVURJKSA-N 494.017 2.206 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CC1(COC)CCC1)[C@H]1CCS(=O)(=O)C1 1748810017 ZBCXGCVWGCWBFV-IBGZPJMESA-N 458.584 2.397 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CCCN(C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1748819345 NHFOTCZMLNHGNC-QHCPKHFHSA-N 478.622 2.417 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CCN1CCCC[C@H]1CC)[C@H]1CCS(=O)(=O)C1 1748819405 OEFYRYMRCHHBKC-YADHBBJMSA-N 470.643 2.155 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccc(Br)cc2)n1C[C@@]1(C)CN(C)C1=O 1748855908 LQZJKMHJXQNFOL-OAQYLSRUSA-N 456.344 2.171 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCS(=O)(=O)CC=C 1748875433 PHVFTSIEHWKIFV-UHFFFAOYSA-N 453.568 2.211 30 10 JEEE C#CCN1CCN(c2nnc(CSc3ccccc3OC)n2CCc2ccn(C)n2)CC1 1748999976 IVUFDQDBSOZXIA-UHFFFAOYSA-N 451.600 2.310 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@@](C)(O)c2ccsc2)CC1 1749009977 FFAUZQQSVMTDBA-HSZRJFAPSA-N 452.584 2.219 30 10 JEEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 1749039015 NWYKHFPWOMPBRC-YPAWHYETSA-N 488.702 2.355 30 10 JEEE C=CCNC(=O)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCS[C@@H](C)[C@@H]1C 1749676733 BDCDOZKJSZNEJB-SFTDATJTSA-N 483.686 2.275 30 10 JEEE C=CCOc1ccccc1Cn1c(N2CCN(C(=O)NCC)CC2)nnc1[C@]1(OCC)CCOC1 1749690613 ZIZDVQNLUXDPHR-VWLOTQADSA-N 484.601 2.395 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CC[C@@]3(CCSC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1749740338 USGMZQMTCRPVQM-RTWAWAEBSA-N 470.661 2.253 30 10 JEEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)CNC(=O)OC(C)(C)C)CC1=O 1749873335 FMCXICNVWMQWQJ-SFHVURJKSA-N 497.600 2.273 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CCS(=O)(=O)C(C)(C)C 1750972029 HNROBDUVKPJYER-IBGZPJMESA-N 488.614 2.079 30 10 JEEE CC(C)NS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N(C)Cc1ccc(C#N)cc1 1751005625 GNMWTMQNTBHHHE-UHFFFAOYSA-N 453.572 2.100 30 10 JEEE C#CCCCn1c(CCc2ccc(OC)cc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1760156372 FBPIWCGKVIVOQH-UHFFFAOYSA-N 459.616 2.346 30 10 JEEE C#CCCCn1c(N2CCN(C(=O)[C@H]3CCCN3C)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1760159392 FMVCZOZYJGKWOL-QHAWAJNXSA-N 499.660 2.205 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1Cc1cccc(Cn2ccnc2)c1)[C@H]1CCS(=O)(=O)C1 1760186011 ITNGJYRZKUJHOJ-QFIPXVFZSA-N 466.611 2.396 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCN1CCOC1=O 1760203214 YEWLWYFNTLBCAD-IBGZPJMESA-N 470.574 2.308 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCc2nccn2C1 1760248973 GVABLJVMDJLUEW-WOJBJXKFSA-N 499.616 2.132 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCCSC2)n1 1760252851 SEWCFDDXRREHQB-IBGZPJMESA-N 471.631 2.140 30 10 JEEE C#CCN1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2C[C@H](OC)[C@@H](C)CC)CC1 1760260596 YVCILUPUQOIRDB-ICSRJNTNSA-N 473.647 2.055 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@H]2C[C@@H]2C)CC1 1760269646 NLIKLZYQMHFELY-IHPCNDPISA-N 486.617 2.208 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1760272652 QWGZPILCCIPVKU-UHFFFAOYSA-N 471.587 2.349 30 10 JEEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1760284735 QTTDBCQWRHHGNB-IBGZPJMESA-N 499.666 2.355 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CCOc2ccccc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1760325421 QSCXSEBVUBFGJK-AUSIDOKSSA-N 489.642 2.399 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1ccc(OC)cc1)C1CC1 1760346154 KFYBJMDRVAERKC-HXUWFJFHSA-N 461.588 2.365 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 1760373909 DWRXWSWTRZMINF-CRAIPNDOSA-N 470.039 2.408 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N(C)C[C@@H]1CCCOC1 1760514630 BXPKOUCYSUWZDM-AWEZNQCLSA-N 451.369 2.211 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N(C)CCn1cccn1 1760518169 KVQDYGVUAVGMRK-UHFFFAOYSA-N 474.363 2.351 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1760518278 OKHLQMUVDJSISX-UAVUOLJFSA-N 471.558 2.037 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N(C)Cc1c(C)nn(C)c1C 1760556629 KNKLVKUBDMTMPP-UHFFFAOYSA-N 463.633 2.221 30 10 JEEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2ncc(F)cn2)CC1 1760571322 LNHAETSPYCRESF-WMZOPIPTSA-N 463.583 2.177 30 10 JEEE C=CCOc1ccccc1OCC(=O)Nc1nc(N(CC)CC)nn1[C@@H]1CCS(=O)(=O)C1 1870057810 BPKBESQOIJNDMT-MRXNPFEDSA-N 463.560 2.066 30 10 JEEE C=CCn1cc(OCC(=O)NCCN(CC)CC)c(=O)cc1CN1CCN(c2ccccc2)CC1 1870535469 WKOWGVLQPCOOAM-UHFFFAOYSA-N 481.641 2.193 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)N(C)C[C@H]2CCCO2)cn1CCc1cnc[nH]1 1870548266 XYBCZYFZYZTAQR-JOCHJYFZSA-N 469.586 2.004 30 10 JEEE C=CCn1cc(OCC(=O)NC[C@@H]2CCCO2)c(=O)cc1CNc1ccc(OC)c([N+](=O)[O-])c1 1870983233 OPDSXMFVARWFDK-SFHVURJKSA-N 472.498 2.237 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)COc2nonc2C(=O)N2CCc3ccccc3C2)nc1C 1872678595 CQWJYOAJQQFUBL-UHFFFAOYSA-N 483.506 2.393 30 10 JEEE COc1cc(/C=N/n2c(SCCO)nnc2[C@H]2CC(=O)N(C(C)C)C2)cc(Br)c1O 1874339365 SYNPXEKCJVTELG-UWPAOYMWSA-N 498.403 2.446 30 10 JEEE C=CCn1c(C(=O)N2CCN(Cc3ccccc3)CC2)cc2c(NCCN3CCOCC3)ncnc21 1875227818 NEENJSPJQZAGHS-UHFFFAOYSA-N 489.624 2.319 30 10 JEEE CC(C)[C@@](C)(C#N)NC(=O)Cn1cnc(I)c1I 1962893134 RBNBHXGUAYXXDP-LLVKDONJSA-N 472.068 2.147 30 10 JEEE C#CCN(C(=O)[C@H]1C[C@H](O)CN1C(=O)OC(C)(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 2080578641 IWZGESRLURZRNQ-ZWKOTPCHSA-N 451.564 2.218 30 10 JEEE CC(C)(C)OC(=O)NCC[S@](C)(=O)=NC(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2255700465 CUXSPPACROVSBH-HKBQPEDESA-N 453.370 2.144 30 10 JEEE C=C(CS(=O)(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1)B1OC(C)(C)C(C)(C)O1 2255795354 GDJVWQIYPZEIHM-HXUWFJFHSA-N 450.410 2.385 30 10 JEEE Cc1nn(C)c(C(=O)N(C)C(C)(C)CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267138424 XJEOBDKMTHNCHM-UHFFFAOYSA-N 450.389 2.403 30 10 JEEE Cc1c(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267141911 ZVDWNMQMRVUHNN-OAHLLOKOSA-N 450.389 2.307 30 10 JEEE CN(Cc1nc(NC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)n[nH]1)C(=O)OC(C)(C)C 2267161474 BLXYHTYFAYRPLF-UHFFFAOYSA-N 464.357 2.180 30 10 JEEE Cn1nc(C(=O)NC2[C@@H]3CN(Cc4ccccc4)C[C@@H]23)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2267179967 ATMXEDYKPHOJME-HZPDHXFCSA-N 456.783 2.233 30 10 JEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H]1COCCN(C(=O)OC(C)(C)C)C1 2267507495 OXPOBWKKRALAEX-OAHLLOKOSA-N 450.341 2.253 30 10 JEEE CC(C)(C)OC(=O)NC1(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)CC2(CCC2)C1 2268632029 FSMZHQWIQNIVRZ-UHFFFAOYSA-N 464.397 2.425 30 10 JEEE CN(C(=O)OC(C)(C)C)[C@@]1(C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)CCOC1 2268645330 UAGDSPXGXLRLPB-NRFANRHFSA-N 467.397 2.085 30 10 JEEE Cn1nc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C2CC2)cc1B1OC(C)(C)C(C)(C)O1 2281961179 JVKFGZPZKMIQDB-MAUKXSAKSA-N 460.384 2.237 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCO[C@@H](CN(C)C(=O)OC(C)(C)C)C1 2281963018 GYWARIZMHWSJDG-HNNXBMFYSA-N 481.424 2.459 30 10 JEEE Cn1nc(C(=O)N[C@@H]2CC[C@H]3C[C@H]2CN3C(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2281976192 YDHXUVMNLWEJGX-HRCADAONSA-N 460.384 2.237 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2CCO[C@]2(CNC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2282016103 TUCWSNNLNYGMCQ-JLCFBVMHSA-N 479.408 2.198 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@]2(C[C@H](NC(=O)c3sncc3B3OC(C)(C)C(C)(C)O3)CO2)C1 2282029382 RGKSHPMAOPMFDT-RCDICMHDSA-N 479.408 2.341 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@](O)(CNC(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282184006 NEMXRIZWPPJINH-DEOSSOPVSA-N 460.380 2.478 30 10 JEEE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1CNS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282424018 WOSXXNWZUXYPTO-CRAIPNDOSA-N 481.424 2.305 30 10 JEEE Cn1cc(C(=O)N[C@H]2C[C@H]3C[C@H]2C[C@@H]3NC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2282545138 HEEDOEIUMLLYBE-FZKCQIBNSA-N 460.384 2.141 30 10 JEEE CC1(C)OB(c2ccc(C(=O)N3CC[C@](CNC(=O)C(F)(F)F)(C4CC4)C3)o2)OC1(C)C 2282630156 FKQXJDCWPCFGJG-HXUWFJFHSA-N 456.270 2.500 30 10 JEEE CC(C)(C)OC(=O)N[C@@]12C[C@H]1CN(S(=O)(=O)Cc1cccc(B3OC(C)(C)C(C)(C)O3)c1)C2 2282845233 PDSKKBZJVGQVLE-GAJHUEQPSA-N 478.420 2.415 30 10 JEEE CC[C@H](CN(CC)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C)NC(=O)OC(C)(C)C 2282859578 OATAFZYOVVFGJC-OAHLLOKOSA-N 486.444 2.033 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@@]2(NC(=O)c3nccnc3B3OC(C)(C)C(C)(C)O3)C[C@@H]2C1 2283063042 QIKJTPMNPLKBPU-IQMFZBJNSA-N 458.368 2.295 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](C(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)ccc1F)C1COC1 2283987404 XOEYZYKRLNJIOY-GOSISDBHSA-N 464.343 2.281 30 10 JEEE COC[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)N(C(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)C1 2289505924 TWERPMIGZQBQIC-GJZGRUSLSA-N 481.424 2.444 30 10 JEEE CCCOc1ccc(C=CC(=O)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1OCC 2325716853 PVWZPQHCNBWSSF-UHFFFAOYSA-N 460.552 2.463 30 10 JEEE COc1ccc(CCc2nnc(SCC(N)=O)n2N=Cc2cccc([N+](=O)[O-])c2)cc1OC 2326183059 DLEMMGNOFOSCAH-UHFFFAOYSA-N 470.511 2.448 30 10 JEEE COc1nc(O[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2OC)ccc1B1OC(C)(C)C(C)(C)O1 2339826105 UICBKPUWZVOTDV-HZPDHXFCSA-N 450.341 2.403 30 10 JEEE Cn1ncc(C(=O)N[C@H]2C[C@@H]3C[C@H]2C[C@@H]3NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2359263570 XFAGOFYAQGKXJR-OTRWWLKZSA-N 460.384 2.141 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@@H]1CNc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2365057983 UUYBAMTYIVQKDW-SCTDSRPQSA-N 461.368 2.479 30 10 JEEE C#CCn1/c(=N/C(=O)[C@H]2CCCN(S(C)(=O)=O)C2)sc2cc(Br)ccc21 13791900 OEAGQGRQUWDRMC-LCIOQVQZSA-N 456.387 2.197 30 10 JEEE CC(C)Sc1nnc(NC(=O)CSc2nnc(N/N=C/c3cccc(O)c3)n2N)s1 20915864 PFGCPNMHOQWZHZ-CNHKJKLMSA-N 465.590 2.226 30 10 JEEE C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 204866425 VQDFMFQAGBJNBR-WBVHZDCISA-N 475.399 2.092 30 10 JEEE CCCC/C=C/CCN1C(=O)[C@H]2[C@H](C1=O)[C@@](CC(=O)O)(C(=O)O)N[C@H]2c1ccccc1C#N 248258160 LMCRABUXAJQALE-HIBGSQJXSA-N 453.495 2.238 30 10 JEEE CCOCCCn1c(=C(C#N)C(=O)CC(C)(C)C)sc(=Cc2cnn3ccccc23)c1=O 729670417 FLSUBQVNNOIOIM-UHFFFAOYSA-N 452.580 2.492 30 10 JEEE CC#CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@](C)(CO)C(=O)O 757212162 PXOFSHVOFZIEMF-BWKNWUBXSA-N 450.491 2.259 30 10 JEEE C#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@](C)(O)CC(=O)O 757308963 ZISBVTOQCRTLHB-SQJMNOBHSA-N 450.491 2.259 30 10 JEEE CCCCSc1nnc(NC(=O)CSc2n[nH]c(NN=Cc3cnn(C)c3)n2)s1 1084371199 NQXFBYMMIBBDSZ-UHFFFAOYSA-N 452.595 2.459 30 10 JEEE C#CCN(C(=O)CN(CCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C1CCN(C)CC1 1156647944 ZCSLCCNBKOLNKB-UHFFFAOYSA-N 452.596 2.304 30 10 JEEE C#CCNS(=O)(=O)c1cccc(C(=O)N(C)C[C@@H](O)c2cccc(Br)c2)c1 1161739825 WJYGDSSEPYCVIT-GOSISDBHSA-N 451.342 2.166 30 10 JEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC[C@H]3CCN(CC(C)C)C3)nnc12 1182997914 YBPYBYBUSFMLRW-QGZVFWFLSA-N 454.600 2.416 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CCCN(C)S(=O)(=O)CC 1286276922 ZTKDHQHGQXHYIA-CYBMUJFWSA-N 457.398 2.165 30 10 JEEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1286337858 XDQCVFLZRRFOLD-NRFANRHFSA-N 488.390 2.274 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCCCN(C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1286388644 ANMVDSWHFMYDNX-QFIPXVFZSA-N 481.626 2.222 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCOC2)n1C[C@H]1CC(=O)N(CCOC)C1 1286458168 LSGVVLQDIMEZSD-PMACEKPBSA-N 455.534 2.056 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](OC)c2ccc(F)cc2)CC1 1286470470 ZVXKZSLFHVJZSP-HXUWFJFHSA-N 463.517 2.207 30 10 JEEE C#CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)OC[C@H]2C1 1286513270 SFFTZMHTEOZABC-SJORKVTESA-N 476.603 2.357 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1286782548 YGUVPOCCPOFQNM-GFCCVEGCSA-N 494.375 2.341 30 10 JEEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 1300336342 DFUCYELCPVTYAX-IBGZPJMESA-N 464.636 2.051 30 10 JEEE C#CCN(c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1300503832 GENIJOGYKWFEHV-QZTJIDSGSA-N 497.042 2.266 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@@H]1CCCN1CC)[C@H]1CCS(=O)(=O)C1 1300504751 RLJFMJRPUNZTGI-SFTDATJTSA-N 471.627 2.277 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCCC)c(OC)c1 1300538086 NLAKFHIKBMJTNS-IBGZPJMESA-N 456.568 2.099 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCc1cnn(C)c1 1300564594 YOLFNNNDQFLUIP-UHFFFAOYSA-N 450.568 2.178 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccccn2)n1CC1(O)CCS(=O)(=O)CC1 1300641784 DTAQQRIJTXCSOY-UHFFFAOYSA-N 469.542 2.059 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@@H](CC(C)C)N(C)C)CC1 1300726490 MQKNGEKLTJKMLT-JOCHJYFZSA-N 451.619 2.206 30 10 JEEE C#CCSCCn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1300769409 GJOXVSNUHNNVLQ-IBGZPJMESA-N 463.991 2.218 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1Cc1cccc(OCC(=O)N(C)C)c1 1300788450 ZOSNPJLWEUSENZ-FTJBHMTQSA-N 481.597 2.438 30 10 JEEE C=C(C)COCCn1c(Cc2ccsc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1300996418 GZCSJZLNHMXNRV-HXUWFJFHSA-N 458.632 2.266 30 10 JEEE C=C(Cl)Cn1c(-c2cnn(C)c2)nnc1N1C[C@@H](C(=O)OC)[C@H](CNC(=O)OC(C)(C)C)C1 1301034054 OSXJFIQGXWNZNU-GDBMZVCRSA-N 479.969 2.181 30 10 JEEE C=C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC1 1301069767 DVWVRIAJCONMNQ-PXDATVDWSA-N 474.650 2.418 30 10 JEEE C=CC1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@H]2COCCO2)CC1 1301112208 NIVMFLOOLWCTAY-LJQANCHMSA-N 461.588 2.013 30 10 JEEE COCC1(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC[C@@](C)(C#N)C2)CCOCC1 1301123294 CJDDXBSIWDWQTI-QFIPXVFZSA-N 453.547 2.499 30 10 JEEE C=CC1CCN(c2nnc(COc3ccc(F)cc3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1301134762 OGXQXBZPLRSDSF-UHFFFAOYSA-N 464.563 2.338 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCOC1 1301342197 ZPNBQSVHQBQQKF-XLIONFOSSA-N 458.588 2.379 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCN2CCCCC2)C1 1301542369 ASGASAZJWTVLFP-NRFANRHFSA-N 488.658 2.463 30 10 JEEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1301596023 FMKUTLYFDXNFEB-UHFFFAOYSA-N 462.542 2.230 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H]1c1nncn1C 1301596305 KVZHRODGXKSRGD-FGTMMUONSA-N 477.635 2.268 30 10 JEEE C=CCSCCn1c(N2CCN(C(=O)NC(C)(C)C)CC2)nnc1[C@@]1(OCC)CCOC1 1301620797 LHKFTCGVFCUNSN-JOCHJYFZSA-N 466.652 2.480 30 10 JEEE Cc1ccc(C(C)C)c(OCc2nnc(N3CCO[C@H](C#N)C3)n2CC(=O)NCC(F)F)c1 1304271351 IBEPAXYPDKMYQB-MRXNPFEDSA-N 462.501 2.399 30 10 JEEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H](C)c2cc(F)ccc2N2CCN(C)CC2)n1 1311821366 XXUVYVHUISTFSR-IBGZPJMESA-N 456.566 2.326 30 10 JEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CC(C)(C)c1cccs1)[C@H]1CCS(=O)(=O)C1 1358955702 RIEIHCNPSZIGLB-KRWDZBQOSA-N 475.640 2.180 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1cc(C(C)(C)C)no1)[C@@H]1CCS(=O)(=O)C1 1358965706 ZQMZNPVRMQEXQM-GOSISDBHSA-N 468.583 2.224 30 10 JEEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1359128028 HTLQROIHISGDHJ-ZWKOTPCHSA-N 462.528 2.055 30 10 JEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2ccc(Cl)nc2C1 1359227639 HCKFKUWMMJRCFM-INIZCTEOSA-N 451.980 2.384 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNC(=O)C(C)(C)C 1359256452 GAMYYLLGIZMPFP-HXUWFJFHSA-N 484.626 2.407 30 10 JEEE C#CCN(C(=O)c1ccnc2c(C(N)=O)cnn12)[C@@H]1CCOc2ccc(Br)cc21 1465179882 PQLBNAZHEQTOPW-OAHLLOKOSA-N 454.284 2.190 30 10 JEEE CCCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCO[C@H]2C)CC1 1501141967 CHJLCDYSLZFNMD-BVZFJXPGSA-N 482.585 2.011 30 10 JEEE CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2CCS(=O)(=O)CC2)C[C@@H]1C 1502330816 CMIZMPCWDPWMDH-SFHVURJKSA-N 472.615 2.084 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(SC)c(OC)c1 1507588038 DZNUALPNHBOCQZ-LJQANCHMSA-N 493.655 2.391 30 10 JEEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H]1c1nncn1C 1507588064 FHCACKBKMWXJAC-QZTJIDSGSA-N 470.578 2.470 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@H]1CCCN(C(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1507636018 XEUGRWOUQMAKRM-FCHUYYIVSA-N 470.643 2.011 30 10 JEEE C#CCN(c1nnc(COc2ccccc2OC)n1CC1(OC)CCCC1)[C@@H]1CCS(=O)(=O)C1 1507640358 QHHXRFBFUBYXPI-LJQANCHMSA-N 488.610 2.452 30 10 JEEE C#CCN(CC#CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC1([S@@](C)=O)CCC1 1507672783 HKBPKZQRMINONE-PGUFJCEWSA-N 492.693 2.407 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1507717693 FUVOBUUHBMALLT-QGZVFWFLSA-N 479.553 2.127 30 10 JEEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](Cc2ccccc2)C1 1507751399 NUHZGHVWXXIDMA-SFTDATJTSA-N 489.667 2.046 30 10 JEEE C=CCCOCCn1c(-c2cccc(OC)c2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1507958185 QHNOZOXVAZCQRV-DEOSSOPVSA-N 468.558 2.361 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1508082304 RWWOUQORZASEGQ-UHFFFAOYSA-N 480.491 2.151 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1508095051 RTYOEBWXBGATCW-GOSISDBHSA-N 480.548 2.194 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1508133439 JHJPXTDOFJUOLE-KRWDZBQOSA-N 490.586 2.147 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@@H](NC(C)=O)C1 1508144852 YJOWHAUJXULFJH-HXUWFJFHSA-N 475.615 2.180 30 10 JEEE CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)N2CCCCC2)CCO1 1508372763 HLZVTEKGBJQMPR-QFIPXVFZSA-N 465.602 2.423 30 10 JEEE COc1ccccc1C1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)CC1 1518416847 DGIWZHMFKFDEEH-INIZCTEOSA-N 458.588 2.369 30 10 JEEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@]1(N2CCOCC2)CCSC1 1539155040 NCOHQBPYHRIRMG-DEOSSOPVSA-N 487.626 2.248 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccnc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1539628431 PVFMTEWHSHXYDJ-ICSRJNTNSA-N 460.604 2.182 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2OCC)nnc1N1CCO[C@@H](C(=O)NC)C1 1539642621 RLJZLIISRSIEQC-AAIMPIBUSA-N 485.585 2.188 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(N2CCN(S(=O)(=O)CCOC(C)C)CC2)nnc1C(C)(C)C 1539643200 VBJARYVNXPPUTE-VQTJNVASSA-N 483.679 2.434 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCCCO2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1539752014 ZESQGVHSYWBIBU-FCEUIQTBSA-N 460.623 2.101 30 10 JEEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(N2CCCNC2=O)CC1 1539758522 OGIALGWIDJLXGY-UHFFFAOYSA-N 456.595 2.117 30 10 JEEE C=CCC(C)(C)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1539924129 NUQDTTIMEQCRDE-FQEVSTJZSA-N 451.575 2.460 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@]2(CCOC2)C1 1540897778 SAINHFQBLKHWFC-VGOFRKELSA-N 480.562 2.154 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCC(C(=O)OC)CC1 1540901229 WWDCURFLGNVVDU-UHFFFAOYSA-N 471.583 2.427 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1540906757 AHSVICNHSYVHCG-UHFFFAOYSA-N 458.563 2.169 30 10 JEEE Cc1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(CC(C)C)C(=O)C2)c(=O)n1C 1542383566 AFOAUOYUNNZSSZ-UHFFFAOYSA-N 459.554 2.177 30 10 JEEE CCS(=O)(=O)N(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCOC2(CCC2)C1 1548326664 HSCZALICCWMUSZ-UHFFFAOYSA-N 458.588 2.248 30 10 JEEE CCS(=O)(=O)N1C[C@@H](C(=O)NC)[C@H](C2CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)C1 1548393471 LGRZQBIIENEOIB-ZWKOTPCHSA-N 472.533 2.437 30 10 JEEE CNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1554371590 AFYYXXRFHVFPGD-GOSISDBHSA-N 465.602 2.278 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCc1ccc(SC)cc1)[C@@H]1CCS(=O)(=O)C1 1588049336 FEZPVKHMXCWICT-LJQANCHMSA-N 470.624 2.270 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(C)C)n1Cc1cccc(N2CCOCC2)n1 1588472766 IWVCDTUUTXVBTF-UHFFFAOYSA-N 491.571 2.475 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccn3C)n2CCCn2cc(Br)cn2)CC1 1588800979 UARBDYQZSKEFSU-UHFFFAOYSA-N 457.380 2.088 30 10 JEEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)COc2ccc(F)cc2)CC1 1589070692 WNCKAQPSSMLMNP-LJQANCHMSA-N 487.601 2.405 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(OC)CCC(C)CC1 1589216661 UMHUHLZTLYWSMC-PWIBJQSTSA-N 479.647 2.198 30 10 JEEE C=CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCOCCS(C)(=O)=O 1594956924 UJXYVQMIBYAPQS-UHFFFAOYSA-N 471.624 2.076 30 10 JEEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1([S@@](C)=O)CCC1 1595290545 GYGUDHNTCWRRSM-MGBGTMOVSA-N 470.599 2.132 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC[C@@H](NC(C)=O)C1 1595500969 HTQYOVLAUOYRCF-QGZVFWFLSA-N 475.391 2.423 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(C)(C)CN2CCCC2)C1 1595723022 QAIPXZIGHVGIMP-MOPGFXCFSA-N 451.637 2.084 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCC[C@@H](C(N)=O)C2)nnc1C1(c2ccccc2)CCC1 1595830831 ICSLJUBSKCPKOW-GOSISDBHSA-N 457.600 2.051 30 10 JEEE CC1(C)CN(CC(F)(F)F)CCN1CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 1616677220 HUMIKAXRVROJPJ-LJQANCHMSA-N 455.500 2.493 30 10 JEEE COc1cccc(CCn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@@H](C#N)C2)c1 1619363200 CWLQPSKQLULRAQ-SFHVURJKSA-N 452.540 2.250 30 10 JEEE C=CCC[C@@H](NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(C)=O)cc1)C(=O)OCC 1635698906 PHSGLWFQGYPCHX-UXHICEINSA-N 450.557 2.447 30 10 JEEE CCOc1cccc(CN(CCO)CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)c1 1646189445 COLZVOGXEHHJDE-XMMPIXPASA-N 454.546 2.428 30 10 JEEE C#CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CCNS(=O)(=O)c1ccccc1 1689949639 MLLYZFVZFOQCNV-UHFFFAOYSA-N 463.361 2.084 30 10 JEEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1689973278 ATSORIXMYJNSJL-KRWDZBQOSA-N 465.583 2.007 30 10 JEEE C#CCN(c1nnc(C)n1Cc1ccc(COCC(F)(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 1689980502 SUHADNMDAHGHTF-GOSISDBHSA-N 456.490 2.340 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1cccc(C(=O)NCCC)c1)[C@@H]1CCS(=O)(=O)C1 1689986485 QWXDSAKQWHMXSU-OAQYLSRUSA-N 492.605 2.155 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1cccc(CN(C)CC)c1)[C@@H]1CCS(=O)(=O)C1 1689991276 ZCUVNKHNRZKCBD-DHIUTWEWSA-N 485.654 2.299 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccccc2CN(C)C(C)C)CC1 1690135216 RXBMCKWQYFTNLI-UHFFFAOYSA-N 493.656 2.271 30 10 JEEE C#CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@](C)(C(N)=O)C1 1690186228 NHTAVUJVHNFZJF-KSFYIVLOSA-N 462.620 2.418 30 10 JEEE C=C(Br)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1690220806 BBELGRPFUYGDTH-GDBMZVCRSA-N 485.404 2.497 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc(C(N)=O)cc1 1690234529 HHKUYPPEQYSEIJ-WOJBJXKFSA-N 452.559 2.231 30 10 JEEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(N2CCOCC2)CC1 1690527495 PFIBBISJMDMQTO-GOSISDBHSA-N 462.595 2.074 30 10 JEEE C=CCN(CCc1ccco1)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCS(C)(=O)=O 1690607158 FWZVWAAGGVDGFW-UHFFFAOYSA-N 482.566 2.065 30 10 JEEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)Cc1scnc1C 1690669474 GILQMAQZIUTYOE-UHFFFAOYSA-N 450.528 2.297 30 10 JEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CC[C@@H](C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1705558725 GSNJWAAYEOGFGO-CTNGQTDRSA-N 469.611 2.335 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H](C)Oc1ccccc1OC)[C@@H]1CCS(=O)(=O)C1 1705563946 IFPKFJMABAUQNT-RTBURBONSA-N 481.578 2.443 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1CCCCOc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1705567355 XCNLYFZAPGCWBR-IBGZPJMESA-N 484.557 2.360 30 10 JEEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1C[C@@H]1CCOC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1705567917 CPTJXEDAQJYOFD-SLFFLAALSA-N 488.610 2.165 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN(CC)C1CC1 1705620312 QICVMUJASAMTPA-IBGZPJMESA-N 459.591 2.443 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@]1(OC)CCOC1 1705627768 OZBGVGNWWUEVEA-NTKDMRAZSA-N 477.606 2.284 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(c2ccc(F)cc2F)CC1 1705629000 VCFORWAIDHRFPH-INIZCTEOSA-N 464.538 2.276 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCc1ccn(C)n1 1705631010 OEFVZYFIHBYLHL-IBGZPJMESA-N 457.579 2.412 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2Cc2cccc(OCCN(C)C)c2)CC1 1705644193 IFAAMPUPSPIXQD-UHFFFAOYSA-N 452.603 2.356 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CCNC(=O)Cc2cccc(F)c2)CC1 1705647726 IYKXOQRMCVMYQP-UHFFFAOYSA-N 482.604 2.331 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCc2ccc(OC)c(OC)c2)CC1 1705648163 PIYKXUWWZDVVSF-NRFANRHFSA-N 481.597 2.398 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@]2(O)CCO[C@@H]2C)CC1 1705652941 SORLTVPVOJSIRR-KBMIEXCESA-N 483.638 2.385 30 10 JEEE C=C(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CC(=O)NC2CC2)CC1 1705728423 KLMGZZLVAYIXLQ-IBGZPJMESA-N 473.622 2.327 30 10 JEEE C=CCN(c1nnc(CSc2ccccc2OC)n1C[C@]1(O)CCS(=O)(=O)C1)C1CC1 1705855960 AKOSZCGULGISBN-OAQYLSRUSA-N 464.613 2.283 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCOC[C@@H]1C 1705861270 AFXNXRMQVAKFQJ-BVSLBCMMSA-N 489.642 2.476 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC(C(=O)NC2CCCCC2)CC1 1705899788 HDYFLYFXIIEXDA-UHFFFAOYSA-N 453.591 2.251 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCC(N2CCNC2=O)CC1 1705933967 XNFZULJTTMCAIG-UHFFFAOYSA-N 479.006 2.193 30 10 JEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N(C)Cc1ccccc1Cl 1705938270 SVPCXGUADBMLOR-UHFFFAOYSA-N 451.980 2.291 30 10 JEEE CC(C)C(=O)NCCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H](N1CCOCC1)C(F)(F)F 1706234086 CWLRZIXDXTYHCD-IBGZPJMESA-N 493.534 2.288 30 10 JEEE CC(C)C(=O)NCCn1c(Cc2ccccc2F)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1706245012 GFGYHJCRURAYPS-GOSISDBHSA-N 491.575 2.157 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2Cc2ccc(OC)nc2OC)c1 1722308504 BPKVVMLNPWTRJK-IBGZPJMESA-N 476.537 2.299 30 10 JEEE C#CCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1722338696 RVNJMDVMVCBFJR-HXUWFJFHSA-N 450.543 2.360 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1ccc(NC(C)=O)nc1 1722380115 DNSGSUCBYUTKAZ-UHFFFAOYSA-N 480.532 2.149 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H](C)CN1CCN(CC)CC1 1722392032 DFOFGBPDXJDEIK-QFIPXVFZSA-N 476.625 2.453 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2Cc2cccnc2OC)CC1 1722443749 NHDCCXCIQKXKNT-UHFFFAOYSA-N 460.538 2.371 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2C[C@H]2CCCN2CC)CC1 1722448755 GYVJWKDPDNELGN-JOCHJYFZSA-N 464.614 2.328 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1CC(=O)NCc1ccco1 1722476550 ZRUIKVGSFUZQDT-JOCHJYFZSA-N 452.540 2.171 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](COc2ccccc2)C1 1722536972 JOHDJNNMIKEKFE-FPOVZHCZSA-N 476.599 2.057 30 10 JEEE C=CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(C)=O)CC1)c1ccccc1 1722595045 SPWKNRJRRUEILV-FXAWDEMLSA-N 474.631 2.353 30 10 JEEE C=CCCCCn1c(-c2ccc(Br)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1722597155 HEIRUERURKWOLJ-KRWDZBQOSA-N 473.375 2.211 30 10 JEEE C=CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1722614476 OPAOIBJWNAKRGL-MRXNPFEDSA-N 456.572 2.264 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccc3C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1722721747 LEFXUYIQGYOKCA-NVWMPKGRSA-N 462.554 2.485 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCc3cc(F)ccc3C2)nnc1[C@@]1(OCC)CCOC1 1722731537 NCKHKECHYIJORL-JOCHJYFZSA-N 464.563 2.233 30 10 JEEE CC(C)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1)NC(=O)OC(C)(C)C 1723121997 GOSRNFNKXIPVLP-ROUUACIJSA-N 480.635 2.469 30 10 JEEE CC(C)CN1CCO[C@@H](Cn2c(C(=O)N3CCCC3)nnc2N(C)Cc2ccc(C#N)cc2)C1 1723469880 BHEVMZWLJCECQX-JOCHJYFZSA-N 465.602 2.379 30 10 JEEE CCCn1nc(-c2nnc(N(C)C[C@H](C)C#N)n2CCNC(=O)C2CC2)c2ccccc2c1=O 1728161454 CMBHIBNJJBRFIO-MRXNPFEDSA-N 462.558 2.187 30 10 JEEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ncc(CC)s1)[C@@H]1CCS(=O)(=O)C1 1740616856 IBBUFXCLRKNQNB-VGOFRKELSA-N 493.655 2.013 30 10 JEEE C#CCN(c1nnc(C2CC2)n1CCCCn1cc(Br)cn1)[C@H]1CCS(=O)(=O)C1 1740623283 QVGPKFZPJDSMKC-KRWDZBQOSA-N 481.420 2.222 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H]1CCCCN1CCCC)[C@@H]1CCS(=O)(=O)C1 1740628797 UOILQWWHMBAVGJ-NJDAHSKKSA-N 463.648 2.411 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1740675103 FIEXFNOKSCKBND-UFVMTTLYSA-N 483.573 2.336 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2CCc2n[nH]c(C)n2)CC1 1740690956 QXRRHCDYNTYVIL-SFHVURJKSA-N 464.574 2.241 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C2CCOCC2)CC1 1740751989 QRKIKMNIPWBKSN-KNQAVFIVSA-N 474.650 2.479 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1 1740763446 LIUKPRLGNDMXOR-RDPSFJRHSA-N 480.569 2.005 30 10 JEEE C=CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(C(=O)N(CC)CC)CC1 1740943869 CTLGVBLOMNKQNL-UHFFFAOYSA-N 474.635 2.316 30 10 JEEE C#CCCCn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)NCc2ccccc2)CC1 1748756890 ZOQUARFLZJWATR-UHFFFAOYSA-N 457.582 2.116 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@@H]1CCN(CCC)C1)[C@H]1CCS(=O)(=O)C1 1748809371 LXJMYCWVXLBXEU-CTNGQTDRSA-N 471.627 2.312 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2ccc(Br)s2)CC1 1748989179 HLCDYPDQOONDQF-OAHLLOKOSA-N 498.472 2.002 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCN(C)Cc1ccc(F)cc1 1749053108 BJMUMYCIHLDCIW-HTAPYJJXSA-N 462.595 2.152 30 10 JEEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1749459623 PAEPERPQNOKHKW-UHFFFAOYSA-N 458.607 2.222 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(C)n(C)c1=O 1749532190 RWLSBQPTFGLCLI-OAQYLSRUSA-N 457.538 2.349 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(C(=O)NCC)CC1 1749651972 DMUWXRSAKFTJMZ-INIZCTEOSA-N 475.981 2.225 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1ccco1 1749670791 WHMBNYRLUJMGLV-QGZVFWFLSA-N 460.535 2.118 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1CCCN1CCCCCC1=O 1751189945 BLNYRCXJCJUGJU-GOSISDBHSA-N 487.630 2.189 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@](C)(O)c2cc(C)oc2C)c1 1760129120 YNFPBSLPYQEXOM-HFZDXXHNSA-N 490.564 2.403 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CC(=O)NCC(F)(F)F 1760199505 XEGVPTMXJJDVLD-UHFFFAOYSA-N 463.460 2.492 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(Br)c2)n1CCCn1cc(CO)nn1 1760215307 WBBDMPNOVSHZRM-UHFFFAOYSA-N 498.385 2.353 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(=O)Nc2ccccc2)CC1 1760346406 XQHVCTWOCCPFCU-HXUWFJFHSA-N 488.614 2.042 30 10 JEEE C=CCCOCCn1c(-c2nnc(O)c3ccccc23)nnc1N1C[C@@H](COC)O[C@H](C)C1 1760449479 KYGKINXSMNNGBS-SJORKVTESA-N 454.531 2.427 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C#N)o1 1760499183 RATVPOIJUGWYDC-JOCHJYFZSA-N 496.593 2.359 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](CN2CCC(C)CC2)C1 1760555549 HWPZCYHRJVDIRZ-SFTDATJTSA-N 465.664 2.331 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCC([C@H]2CCCO2)CC1 1760557874 YKXIZBXPDQYHIG-HXUWFJFHSA-N 462.620 2.136 30 10 JEEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1760569103 CYGQWACQJPHPHL-UHFFFAOYSA-N 472.615 2.492 30 10 JEEE C=CCSCCn1c(COc2ccccc2OC)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1760569735 YVUDZMFYVPLWRK-QGZVFWFLSA-N 458.588 2.341 30 10 JEEE C[C@@H]1CN(C(C)(C)Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(CC#N)CC2)C[C@@H](C)O1 1763025289 BYMIDWZZWCMERO-QWFCFKBJSA-N 478.663 2.198 30 10 JEEE COc1ccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCN2CCOCC2)cc1OC 1862596823 PUEJYXCXPCJVBX-QFIPXVFZSA-N 468.506 2.320 30 10 JEEE COc1cc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCN2CCOCC2)cc(OC)c1O 1862601005 UCPSVVQPULRWKD-OAQYLSRUSA-N 484.505 2.026 30 10 JEEE COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCO)cc(Cl)c1O 1862612314 GYIOCJNOUIVOCY-GOSISDBHSA-N 461.854 2.396 30 10 JEEE CSCC[C@H](NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1)C(=O)N1CCN(C)CC1 1868781974 CRIBGOPLEALOLV-OALUTQOASA-N 463.673 2.037 30 10 JEEE C=CCn1cc(OCC(=O)Nc2ccccc2C(=O)OCC)c(=O)cc1CN1CCC(O)CC1 1870391303 ORMDJQOTXVWQMC-UHFFFAOYSA-N 469.538 2.185 30 10 JEEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)c3ncccc3Br)CC2)CC1 1889332938 JBKMBHCJXPMUEE-UHFFFAOYSA-N 463.420 2.495 30 10 JEEE CCOC(=O)C[C@@H]1COCCN1C(=O)[C@@H]1SCC(=O)N(C(C)C)[C@@H]1c1ccc(C#N)cc1 1890414880 YVGBMNCGGAXJSW-STZQEDGTSA-N 459.568 2.132 30 10 JEEE N#Cc1ccnc(OC[C@@H]2CCCN(C(=O)CNS(=O)(=O)c3ccc(Br)cc3)C2)c1 1892034624 GTRBDYHMUIGFAU-MRXNPFEDSA-N 493.383 2.312 30 10 JEEE C=C(CNS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O)B1OC(C)(C)C(C)(C)O1 1991971553 SUPPLBOCCCXYBX-NRFANRHFSA-N 466.340 2.118 30 10 JEEE CN1CCCC1=NS(=O)(=O)c1ccc(NC(=O)CCCN2C(=O)NC3(CCCC3)C2=O)cc1 2040857006 VQGPAEDBGJUERH-UHFFFAOYSA-N 475.571 2.083 30 10 JEEE C=C1C(=O)O[C@@H]2C=C(C)[C@H](OC(C)=O)CC=C(COC(C)=O)C[C@@H](OC(=O)C(C)=CCO)[C@H]12 2054741107 HPWMABTYJYZFLK-GXRSIYKFSA-N 462.495 2.096 30 10 JEEE N#CC1CC(O)(CS(=O)(=O)CC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)C1 2074762933 NCAXNHDYCYUMDR-DWLSMQEQSA-N 498.557 2.448 30 10 JEEE CN(C(=O)OC(C)(C)C)C1(C(=O)NCCc2cccc(B3OC(C)(C)C(C)(C)O3)c2)COC1 2180985856 UMLLCSTWPZAZMK-UHFFFAOYSA-N 460.380 2.280 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@H]1NC(=O)c1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2266974125 NYXUEAPDIHQTOY-IAGOWNOFSA-N 450.316 2.147 30 10 JEEE CC(C)N(CCCNC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2267188889 SCGNRCKDOBEAKC-UHFFFAOYSA-N 450.389 2.485 30 10 JEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1C[C@H](O)C[C@H]1CNC(=O)OC(C)(C)C 2267189751 FFZVNQRAFJFWPF-LSDHHAIUSA-N 466.409 2.456 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@H]1CNS(=O)(=O)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2267709495 CSZYOKYVXUXGLE-WMZOPIPTSA-N 466.409 2.318 30 10 JEEE Cn1ncc(C(=O)N2CCC23CC(CNC(=O)OC(C)(C)C)C3)c1B1OC(C)(C)C(C)(C)O1 2281814425 KKYFFFGDHUNWEX-UHFFFAOYSA-N 460.384 2.239 30 10 JEEE Cn1ncc(C(=O)N2CCC[C@H]3[C@H]2CCN3C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2281827396 VKUXCNWXTAJMBN-DLBZAZTESA-N 460.384 2.333 30 10 JEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2C[C@@H]3C[C@H](OCc4ccccc4)C[C@H]32)n1 2281959760 QGJRJXUWTHNLFT-INDMIFKZSA-N 452.364 2.228 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](C1)CN(C(=O)c1cc(B3OC(C)(C)C(C)(C)O3)n[nH]1)C2(C)C 2281983896 AFESKOFRVUNWPH-LSDHHAIUSA-N 460.384 2.426 30 10 JEEE 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)sn1 2282011741 MHLWPWVPPVJJFA-IEAZIUSSSA-N 479.408 2.243 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NCC1(O)CC(NC(=O)OC(C)(C)C)C1 2282132368 OBIUWQIBMQSJOB-UHFFFAOYSA-N 460.380 2.442 30 10 JEEE C[C@H]1CN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C[C@H]1CCNC(=O)OC(C)(C)C 2282185472 HMBYSPTZNKKUBH-JKSUJKDBSA-N 460.384 2.399 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](NS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1(C)C 2282350123 IYHCKKPAUDZSQU-SJORKVTESA-N 481.424 2.351 30 10 JEEE CC1(C)OB(c2sccc2C(=O)NC2(C(N)=O)CCN(Cc3ccccc3)CC2)OC1(C)C 2282489573 RPSCMKVPGUGROM-UHFFFAOYSA-N 469.416 2.297 30 10 JEEE CCO[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)[C@H]1NC(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1 2282519800 MKCDBABABWCKRX-KZNAEPCWSA-N 461.368 2.181 30 10 JEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1CO 2282559492 JISVEZQCYPIOHR-WBVHZDCISA-N 464.368 2.235 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H]1COCC[C@H]1NC(=O)OC(C)(C)C 2282693521 NBJXCTVYSQDQGL-SJORKVTESA-N 463.384 2.219 30 10 JEEE COC(=O)[C@@H](CNC(=O)OC(C)(C)C)Oc1ccc([N+](=O)[O-])c(B2OC(C)(C)C(C)(C)O2)c1 2283004246 UHWDCODIAGDJSQ-MRXNPFEDSA-N 466.296 2.339 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CCCN(C(=O)c3nccnc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2283068359 JEQYZTAINWQPDT-HOTGVXAUSA-N 458.368 2.247 30 10 JEEE CN(CCNC(=O)OC(C)(C)C)CC(=O)N1CCc2c(B3OC(C)(C)C(C)(C)O3)cccc21 2284047335 HSSXYJAFJHXUQY-UHFFFAOYSA-N 459.396 2.331 30 10 JEEE CN(Cc1ccccc1)C[C@@H](NC(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1F)C(=O)O 2284494400 MYXQLEATZQLTMV-LJQANCHMSA-N 456.323 2.440 30 10 JEEE C[C@@H](O)CN(CCNC(=O)OC(C)(C)C)C(=O)c1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2285351343 VYXPJZFMTHJZKY-OAHLLOKOSA-N 466.359 2.473 30 10 JEEE CC1(C)OB(c2cc(=NC[C@H]3CN(C(=O)OCc4ccccc4)CCO3)[nH]cc2F)OC1(C)C 2322307168 UXHSYNZXCBWPNZ-SFHVURJKSA-N 471.338 2.391 30 10 JEEE NC(=O)CSc1nnc([C@H]2CC(=O)N(Cc3ccccc3)C2)n1N=Cc1ccc([N+](=O)[O-])cc1 2325917613 NRCSBNHIUATKJL-KRWDZBQOSA-N 479.522 2.162 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H]3C[C@H]2[C@H]3NC(=O)OCc2ccccc2)n1C 2337190540 OZEZPOAZHPWAEG-QYZOEREBSA-N 480.374 2.167 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(C)C)n1C 2337270356 KJPZAKXDUDYCHO-OAHLLOKOSA-N 450.389 2.307 30 10 JEEE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2B2OC(C)(C)C(C)(C)O2)[C@@H](CC(N)=O)C1 2369314995 BALBEGXYHQYNAI-SFHVURJKSA-N 459.396 2.283 30 10 JEEE COC(=O)c1ccc([C@@H]2/C(=C(/O)c3ccc(OC)cc3)C(=O)C(=O)N2CCN2CCOCC2)cc1 103224214 AGZHIRUEZSNZMK-RKKARLDVSA-N 480.517 2.236 30 10 JEEE Cc1ccc(S(=O)(=O)NN=Cc2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] 254414429 JHBGPOHSGXAKOF-UHFFFAOYSA-N 477.484 2.404 30 10 JEEE C=CCN1C(=O)C(=NNc2nc3c(c(O)nc(=O)n3C)n2CCc2ccccc2)c2ccccc21 254495149 ISXHXVKTLVORPK-UHFFFAOYSA-N 469.505 2.427 30 10 JEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 1136745239 QRIWXFFFOPVRHV-LEWJYISDSA-N 454.571 2.243 30 10 JEEE C=CCOC[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(c1ccc(OCC)cc1)C2=O)C(=O)OC 1139176088 RTKPQXYABDGQQM-HXUWFJFHSA-N 452.463 2.360 30 10 JEEE C#CCN1CCN(C(=O)CSc2nnc(-c3ccc(OC)cc3)n2C[C@H]2CCCO2)CC1 1188169567 KJPMEEJDFQRHCZ-HXUWFJFHSA-N 455.584 2.002 30 10 JEEE C#CCCCCn1c([C@@H]2CCCOC2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1286323094 FQZNZPIFZNGDFC-WWNPGLIZSA-N 456.635 2.355 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCc1cccc(C)n1)[C@@H]1CCS(=O)(=O)C1 1286382471 JHKMVKMAFMZVIH-OAQYLSRUSA-N 480.550 2.426 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@H](CC)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1286389042 DTRTURLBHGUPTQ-UXHICEINSA-N 456.616 2.150 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H](c1ccc(C)cc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1286395588 RXQSZKFZFFTWAO-VSKRKVRLSA-N 471.627 2.020 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1cc(Cl)c(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1286398097 GMRLGMMRPMTNMB-FUHWJXTLSA-N 495.001 2.475 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H]1CCCN(C(C)=O)C1 1286459943 XAOZFVVKPRSSHB-NRFANRHFSA-N 461.570 2.475 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2ccc(NC(=O)N(C)C)cc2)CC1 1286478512 BFCPUNZRPVVKQG-NRFANRHFSA-N 451.575 2.417 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccccc2OCC)CC1 1286494550 NGGUMLHVTIBYFL-GMAHTHKFSA-N 481.597 2.415 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)Oc1ccc(OC)cc1 1286516029 BFRJEIRHLISFCV-GSHUGGBRSA-N 461.588 2.357 30 10 JEEE C=C(Cl)Cn1c(-c2noc3c2COCC3)nnc1N(C)CCNS(=O)(=O)c1ccc(C)cc1 1286627613 KIUOQOJUJMHIBW-UHFFFAOYSA-N 492.989 2.481 30 10 JEEE C=C(Cl)Cn1c(Cc2ccccc2F)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1286629583 DYOWBNMASHDVHH-GOSISDBHSA-N 483.997 2.391 30 10 JEEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc(OCC)n2)CC1 1286700682 QCCCJCXYZRMDSG-SFHVURJKSA-N 460.604 2.267 30 10 JEEE C=CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ncnn1C(C)(C)C 1286766017 LWBCVJYYLWIOTQ-UHFFFAOYSA-N 473.603 2.382 30 10 JEEE C=CCOc1ccccc1Cn1c(CN2CCCC2=O)nnc1N1CCC(NC(C)=O)CC1 1286798223 DWTOJVONJVBSEY-UHFFFAOYSA-N 452.559 2.119 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1286821212 DFUYYTVPMOBBLI-QUCCMNQESA-N 459.616 2.151 30 10 JEEE Cc1ccc(CN(C)c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCS(=O)(=O)C2)s1 1289636914 HQAPOYOXWCVQLJ-OAQYLSRUSA-N 457.581 2.373 30 10 JEEE C#CCn1ccc(CN(CCOC)C(=O)c2cc(F)cc(I)c2N)n1 1297350597 UEZJZWFOVAXDOH-UHFFFAOYSA-N 456.259 2.131 30 10 JEEE C#CCN(C)c1nnc(-c2ccc(F)cc2Br)n1CCNS(=O)(=O)Cc1ccon1 1300447058 VQQFFOBBZFGNDG-UHFFFAOYSA-N 497.350 2.024 30 10 JEEE C#CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(S(C)(=O)=O)CCC1 1300457363 CARIAALTLKTFJA-QGZVFWFLSA-N 465.620 2.429 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCc1ccc(OC)cc1OC)[C@H]1CCS(=O)(=O)C1 1300496265 PARPZTCEZFMXIA-PZJWPPBQSA-N 488.610 2.406 30 10 JEEE C#CCN(c1nnc(COCC)n1Cc1cc(Cl)ccc1OC)[C@H]1CCS(=O)(=O)C1 1300505137 XZJSFNJUWVCHHK-KRWDZBQOSA-N 452.964 2.152 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCn1cc(CO)nn1 1300580560 DTJTZIFYUZZZNL-FQEVSTJZSA-N 496.616 2.030 30 10 JEEE C#CCN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1300602406 DEHHOQRCGUNCIX-XLIONFOSSA-N 459.513 2.041 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCOC[C@@H]1OC 1300658188 YTHZZBHUALQHPV-PBHICJAKSA-N 452.353 2.173 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1301577679 NOOONZDPLORMPQ-UHFFFAOYSA-N 476.603 2.246 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1301586948 PWVPKCUBZXPTAS-OAQYLSRUSA-N 481.644 2.009 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(C)(=O)=O)C1 1302252991 IAPMZQQAZGZDSX-QGZVFWFLSA-N 474.587 2.212 30 10 JEEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2COCCO2)CCN1CC(F)(F)F 1305204805 BPCNPHJOKCMJHC-LPHOPBHVSA-N 480.491 2.217 30 10 JEEE CN(c1nnc(-c2cccc(C#N)c2)n1CC1CN(C(=O)OC(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1 1314681840 HEEONHDXMYQEJX-IBGZPJMESA-N 486.598 2.307 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2Br)n1CCNS(=O)(=O)Cc1ccon1 1358883296 RUHJNOAVMBFENX-AWEZNQCLSA-N 493.387 2.273 30 10 JEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1358922502 HQOCUQITWRZJAH-UHFFFAOYSA-N 493.655 2.012 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1CCN(C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1358960736 KTJPUBRHYHBVAK-NRFANRHFSA-N 450.568 2.103 30 10 JEEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C)[C@H]1CCS(=O)(=O)C1 1358961719 DLGCSCKMWUBOKX-YDZRNGNQSA-N 491.658 2.086 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1cccc(COC)c1)[C@@H]1CCS(=O)(=O)C1 1358962163 LRAWEXCIFHGVBE-NHCUHLMSSA-N 458.584 2.341 30 10 JEEE C#CCN(CC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1359013611 FUCAHSSGRWWWFX-QHCPKHFHSA-N 460.600 2.164 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2Cc2cnn(CCOC)c2)CC1 1359029726 GGYPVRONWFHDSG-LJQANCHMSA-N 467.549 2.204 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CCCCn2cc(Br)cn2)CC1 1359045879 WSALBZVWRWFGOJ-UHFFFAOYSA-N 462.396 2.246 30 10 JEEE C#CCSCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC[C@@H](NC(C)=O)C1 1359060456 VXYPETLNRFPOMU-HSZRJFAPSA-N 495.697 2.114 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CCN(CC(=O)NCC)CC1 1359092769 FZFZAHYIYKIOAN-OFNKIYASSA-N 468.602 2.193 30 10 JEEE C=CC[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1)c1ccccc1 1359196198 ZBZFXVRGLHKDSY-YADHBBJMSA-N 480.613 2.315 30 10 JEEE C=CCCCCn1c([C@@H]2CCOC2)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1359203856 XMDVOKLVQSRKSD-MKXGPGLRSA-N 495.646 2.265 30 10 JEEE C=CCN(c1nnc(-c2ccccc2OC)n1CCS(=O)(=O)N1CCSCC1)C1CC1 1359248961 JHZPEFZVURYMJE-UHFFFAOYSA-N 463.629 2.487 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1 1359298320 VOQKQKIBPKNLAK-WMZOPIPTSA-N 455.563 2.411 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(C(N)=O)CC1 1359328098 SZNUMISRTKIWCU-OAHLLOKOSA-N 482.006 2.374 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCCN(C(C)C)CC1 1359330863 FRANMSHKYMBFAU-UHFFFAOYSA-N 485.614 2.115 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCCC[C@@H](C)C1 1359331337 VVFIGNDDERXXFI-QGZVFWFLSA-N 480.660 2.465 30 10 JEEE CC(=O)N1CC[C@@H](CN(C)c2nnc(COc3ccc(C#N)cc3)n2CC2([S@@](C)=O)CCC2)C1 1359362947 HXNJBHNUAPOALG-GEMQDWRSSA-N 484.626 2.335 30 10 JEEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1507583821 WORFUKWFCFTCCV-QGZVFWFLSA-N 457.604 2.147 30 10 JEEE C#CCN(c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H](C)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1507633827 IXUJVKGUVVALOT-IPJJNNNSSA-N 487.626 2.148 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC(CC)(CC)OC)CC1 1507718882 UNPXUWYMOLHNMR-UHFFFAOYSA-N 459.616 2.309 30 10 JEEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1507752494 ZGKLVQYYGJFZIP-UHFFFAOYSA-N 452.588 2.419 30 10 JEEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1507785814 TUELEQWHYXLMOT-HOTGVXAUSA-N 474.425 2.085 30 10 JEEE C=C(C)COCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CC[C@H](C(N)=O)C1 1507843635 PKTZUXJLUATPEV-KRWDZBQOSA-N 465.558 2.140 30 10 JEEE C=CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1507931264 ZJXOLMRFUVDBHB-UHFFFAOYSA-N 499.641 2.409 30 10 JEEE C=CCCOCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCOC[C@@H]1C 1507964305 ALOPKDRNLICODB-ZWKOTPCHSA-N 451.568 2.404 30 10 JEEE C=CCn1c(-c2ccc(Br)cc2Cl)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1508047485 PVPYITKYVABYGD-UHFFFAOYSA-N 493.793 2.474 30 10 JEEE CC[C@@H](C)NC(=O)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](C#N)C1 1513192481 CGKWQEHAXVWWIC-KURKYZTESA-N 475.594 2.384 30 10 JEEE CCN(CC)CCCn1c(CN2CCCC2=O)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1515587867 HLZVHUDJIGGDRU-UHFFFAOYSA-N 482.608 2.470 30 10 JEEE N#Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(Br)cc3Cl)CC2)[nH]1 1538442935 BUEKGKZXYANFRM-UHFFFAOYSA-N 457.737 2.449 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCC(=O)Nc1ccccc1)[C@H]1CCS(=O)(=O)C1 1539226219 VOPQANKGGXBXHW-FQEVSTJZSA-N 498.634 2.289 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccc(N2CCCC2)nc1 1539245180 AQUHQVGVMKSLDH-UHFFFAOYSA-N 474.590 2.465 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1cccnc1OCCOC 1539260421 QCRXVHUQXMQMKH-UHFFFAOYSA-N 469.505 2.135 30 10 JEEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1539334342 ZSDHAGLSBOVZTM-MBSDFSHPSA-N 453.568 2.071 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCCCN2CCOCC2)CC1 1539429838 CVUDCXRWBOFERD-OAQYLSRUSA-N 470.593 2.425 30 10 JEEE C#CCN1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCS(=O)(=O)C(C)(C)C)CC1 1539445871 JGRFVIYXMBOBSO-UHFFFAOYSA-N 481.626 2.099 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCCCOCC)CC1 1539451918 FHUUKRVAEYTYQA-HXUWFJFHSA-N 476.622 2.158 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2Cc2cc(C)on2)CC1 1539466985 KXYAFOUQVTWMMN-UHFFFAOYSA-N 475.553 2.458 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCCN1CCCO 1539566000 BEEWRUTURQFBMC-FDDCHVKYSA-N 456.616 2.109 30 10 JEEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCOC2(CCCCC2)C1 1539579117 HMKLNAUPODOQKQ-CQSZACIVSA-N 462.414 2.336 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CCO)CCc1ccccc1 1539633223 XHGIXMDLZUWRMR-FKBYEOEOSA-N 474.627 2.203 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 1539751595 PXUKMBINKZJRNQ-PKOBYXMFSA-N 496.655 2.374 30 10 JEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](O)(c2cccc(F)c2)C1 1540036799 VBFSBMUCVPQORQ-HTAPYJJXSA-N 464.563 2.010 30 10 JEEE CC(C)[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](CC(N)=O)C1)N1CCOCC1 1541310339 FBYDNILNCZQDFT-JTHBVZDNSA-N 495.628 2.177 30 10 JEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)c2ccc(OC)cc2OC)CC1 1542240230 AABMPEHHNQZKNB-IBGZPJMESA-N 459.543 2.295 30 10 JEEE CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](CC)OC)CC1 1545710606 DMEUWOHGENAVJZ-GHTZIAJQSA-N 453.591 2.278 30 10 JEEE CNC(=O)[C@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CC12CCN(C(=O)NCCOC)CC2 1548377981 JQHATYLCXVAJEN-GOSISDBHSA-N 467.492 2.197 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cccc(CO)c1 1588140429 XHLOGTWWVPFOAZ-OAQYLSRUSA-N 465.554 2.200 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1CCCCn1cc(Br)cn1 1588223743 FIMHUXWULUXZDI-QGZVFWFLSA-N 458.364 2.132 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1594497366 GFBOEMRHNZPWQV-KRWDZBQOSA-N 490.630 2.478 30 10 JEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1594812048 BRDMXZXRWUSKTR-RBUKOAKNSA-N 497.662 2.466 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCO[C@H](C)C1 1595261289 POYVNOZMFUVSCR-SBHAEUEKSA-N 493.630 2.254 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCOC2(CCOCC2)C1 1595603091 XMLXOOCMCBBVNW-SFHVURJKSA-N 490.605 2.038 30 10 JEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCc2cc(Cl)ccc2C1 1595822389 GWLMLGCJWSTNIP-UHFFFAOYSA-N 463.991 2.217 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1c[nH]c2cc(F)ccc12 1596830568 CPMPKQKGGMFSSR-QRWLVFNGSA-N 489.577 2.070 30 10 JEEE CCC(CC)NC(=O)c1nnc(N(C)C[C@H](C)C#N)n1C[C@H](N1CCOCC1)C(F)(F)F 1613527953 DTIQZRQOUQEAKE-ZBFHGGJFSA-N 459.517 2.055 30 10 JEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)c3cc4occc4s3)CC2)c1 1618225746 QVXXPLNOKIAUBB-UHFFFAOYSA-N 457.533 2.004 30 10 JEEE CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)N2CCC[C@H](C)C2)CC1 1618826558 GSSZQKZWXLWNMM-RBUKOAKNSA-N 450.591 2.399 30 10 JEEE Cc1nc(S(=O)(=O)N2CCN([C@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)CC2)cs1 1645486658 FDLFMXVUNCUYEF-GFCCVEGCSA-N 453.977 2.310 30 10 JEEE COC[C@@H](C)n1c(SCC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)nc2ccccc2c1=O 1652444119 BSWOWDUSQRJECR-XLIONFOSSA-N 457.600 2.388 30 10 JEEE C#Cc1cccc(NC(=O)NC(=O)CN2CCN(CC(=O)Nc3ccc(Cl)cc3)CC2)c1 1653142850 ZSCKVKMKBDZKEQ-UHFFFAOYSA-N 453.930 2.226 30 10 JEEE C[C@H]1CCCN(C(=O)C2CCN(C(=O)CN3CCN([C@@H](C#N)c4ccccc4)CC3)CC2)C1 1657631772 ASXUGPBQYQNBTI-URXFXBBRSA-N 451.615 2.366 30 10 JEEE C=CCN([C@@H](Cc1ccccc1)C(=O)OCC)S(=O)(=O)c1ccc2c(c1)C(=O)NCCO2 1662793623 DHYIFAYVLLRGRQ-FQEVSTJZSA-N 458.536 2.160 30 10 JEEE C=C(C)C[C@H](CO)NC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N(CC)CC 1673018284 KZEFEUUIGVPNSH-QGZVFWFLSA-N 454.593 2.002 30 10 JEEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CCC2(F)F)n1 1686484714 LPVTZPJVXLXKFI-QGZVFWFLSA-N 455.506 2.319 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@H](C)c1ncc(C)s1)[C@@H]1CCS(=O)(=O)C1 1689978389 USBMYMVKLGEKOL-MAUKXSAKSA-N 492.671 2.392 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1CCOCC(=C)C)[C@@H]1CCS(=O)(=O)C1 1689982328 KTJYHDJIZSQRJO-QGZVFWFLSA-N 496.431 2.266 30 10 JEEE C#CCN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1690061068 QGMOZBWOXPHGSJ-NQIIRXRSSA-N 473.540 2.431 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCNc2nccc(C(F)(F)F)n2)CC1 1690141973 GCUWRUWIXVVTIC-UHFFFAOYSA-N 499.501 2.227 30 10 JEEE C=C(C)COCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCN(S(C)(=O)=O)CC1 1690310280 ZIOMZEZHROTSGW-UHFFFAOYSA-N 472.571 2.274 30 10 JEEE C=CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1690642577 WPMKICWHPBUTFI-ROUUACIJSA-N 487.605 2.345 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCC(N(C)C(=O)OCC)CC1 1690676102 PWFNNLZHYRSDAB-UHFFFAOYSA-N 474.537 2.356 30 10 JEEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccs2)CC1 1690733435 FBJGURUTSDYEBD-OAHLLOKOSA-N 456.663 2.196 30 10 JEEE N#Cc1cccc(-c2nnc(N3CC[C@H](C(=O)NCC(F)(F)F)C3)n2CCCN2CCOC2=O)c1 1698485884 DQIOPSHDVMZLEF-KRWDZBQOSA-N 491.474 2.164 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](CCC)OC)c1 1705506675 DWDNICSXIFTPNV-UYAOXDASSA-N 473.599 2.052 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCCC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1705559897 GSBQZMIGRJFLNC-IEBWSBKVSA-N 491.589 2.052 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H](C)Oc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1705563879 HKKPQJPLOLEIFZ-AZUAARDMSA-N 451.552 2.434 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCN(C)CCCC)[C@@H]1CCS(=O)(=O)C1 1705566074 XJTMJADKKQUAJT-OAQYLSRUSA-N 454.600 2.175 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1Cc1cscc1C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1705566923 RQAUIYZQOOVTED-CQSZACIVSA-N 482.513 2.490 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCN2CCN(C)C(C)(C)C2)CC1 1705633661 VMYSFFUYCUGZKT-NRFANRHFSA-N 483.636 2.338 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(CCOC)CC1 1705708926 ITLONGZZIMOHBH-RXVVDRJESA-N 474.631 2.019 30 10 JEEE C=CCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1705787462 TVJXUPZCGNLJIH-UYAOXDASSA-N 459.639 2.007 30 10 JEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(N2CCCCC2)CC1 1705819883 WKQRWJNVCSENRM-HXUWFJFHSA-N 466.652 2.032 30 10 JEEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(N(C)C)CCOCC1 1705843289 BHLRCPPQSVMSSF-GOSISDBHSA-N 464.611 2.320 30 10 JEEE C=CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1705890360 LOLGXKUROAAERW-SJORKVTESA-N 485.593 2.111 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1705897650 QUKDYSGJFOOGSB-LSDHHAIUSA-N 498.481 2.364 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC(C(=O)NC2CCCCC2)CC1 1705902803 JTIJOEOCSGNUOI-IBGZPJMESA-N 458.607 2.140 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1705908288 MSIUGLHTFAHEQI-FQEVSTJZSA-N 469.521 2.093 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2c[nH]c3ccccc23)C1 1705917554 XJUSPRZUSFYSBH-FUHWJXTLSA-N 458.588 2.394 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1705933910 VNOIMQGPHRNIQU-OAQYLSRUSA-N 492.005 2.080 30 10 JEEE N#Cc1cccc(-c2nnc(N3CCC[C@H](N4CCCS4(=O)=O)C3)n2CC(F)(F)F)c1 1712878179 IFLRNGJLUGUATF-INIZCTEOSA-N 454.478 2.383 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2CCCOC2)c1 1722307484 XBNCCLVMVKPBFT-JTAQYXEDSA-N 467.570 2.485 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H](C)c1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1722359773 AWFVPZMLGAUNTR-AZUAARDMSA-N 450.568 2.474 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1cc(F)ccc1OC)[C@H]1CCS(=O)(=O)C1 1722369181 VRYRKAGPAMKPHG-AZUAARDMSA-N 462.547 2.342 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCOc1ccccc1C)[C@H]1CCS(=O)(=O)C1 1722370096 LUZUZHVIKKSSKH-ONTIZHBOSA-N 488.610 2.016 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2Cc2cc(C)no2)CC1 1722443347 HEEKKNFYSWQYSL-UHFFFAOYSA-N 464.526 2.273 30 10 JEEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1722551519 AJPFGCIMZYNFSJ-UHOSZYNNSA-N 497.040 2.496 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(S(C)(=O)=O)CCC1 1722663550 AXDZRKNZCBXOPN-MRXNPFEDSA-N 484.669 2.402 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCCN(c2nc(CC)ns2)CC1 1722701588 WEXUTAICACLNTE-UHFFFAOYSA-N 472.644 2.363 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1CCOc1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 1740623503 VMGAHIVTSDAEMO-INIZCTEOSA-N 472.958 2.094 30 10 JEEE C#CCN(c1nnc(C2CC2)n1CCN(CCC)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1740623671 YYQZTLVVVZTBLR-GOSISDBHSA-N 465.620 2.429 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H](C)CN1CCOCC1 1740668907 DULIPGBAKJGHIP-LJQANCHMSA-N 463.586 2.103 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1cnn(C)c1 1740686233 UVKSIJPMXVSGSM-LJQANCHMSA-N 457.579 2.260 30 10 JEEE C#CCN1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2C[C@@H](OC)[C@@H](C)CC)CC1 1740696212 OIEIURNHGLCCJX-RBBKRZOGSA-N 466.634 2.268 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C(C)C)C1 1740762832 WEFZAAPJDWIWNA-NMLBUPMWSA-N 467.636 2.075 30 10 JEEE C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1740778300 UUOVUUCPNLAEDT-UHFFFAOYSA-N 485.390 2.443 30 10 JEEE C=C(C)COCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1740794556 CUYPCIHESPHEIZ-NRFANRHFSA-N 482.633 2.349 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CCC(CNC(C)=O)CC1 1740956390 RIAHCCNVTITCRB-UHFFFAOYSA-N 475.391 2.362 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1740956707 YJRWPTITGMELOJ-OAQYLSRUSA-N 451.619 2.160 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCC(CN2C[C@H](C)O[C@H](C)C2)CC1 1740985703 KMJIQBXSYHOBPF-KDURUIRLSA-N 453.653 2.328 30 10 JEEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(F)cc1F 1741002336 HMBNUIYAOXVMDP-GOSISDBHSA-N 487.598 2.445 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CC1(c2ccc(F)cc2)CC1 1741922105 FHCKFTUQBIYPJB-XOBRGWDASA-N 450.515 2.201 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CC[C@H]1CCCCO1 1741942331 BQOMNQJHRMEBQJ-IOMROCGXSA-N 488.614 2.297 30 10 JEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)NC1CCCCC1 1748790493 YXQWRPXXFVNBDX-SFHVURJKSA-N 460.579 2.105 30 10 JEEE C#CCN(c1nnc(C(C)C)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1748802669 QWKSWVMMOMLNHD-IAGOWNOFSA-N 453.609 2.284 30 10 JEEE C#CCN(c1nnc(-c2cn(C)c3ccccc23)n1C[C@@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1748812558 WGWUYURQXOGSDQ-SBUREZEXSA-N 455.584 2.225 30 10 JEEE C#CCSCCn1c(N2C[C@H](C)OC3(CCOCC3)C2)nnc1[C@]1(OCC)CCOC1 1749047664 BUALFYHSINJYQU-AVRDEDQJSA-N 450.605 2.071 30 10 JEEE C=CC1CCN(c2nnc(CN3CCCC3=O)n2CC[C@H](C(F)F)N2CCOCC2)CC1 1749348678 VCVGDWHMSDIXCN-GOSISDBHSA-N 452.550 2.159 30 10 JEEE C=CC[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1)c1ccccc1 1749383303 VATLCBXZZVLABA-NRFANRHFSA-N 490.612 2.212 30 10 JEEE C=CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(OCC(N)=O)CC1 1749431284 ZRSJGNDJCWCNKZ-SFHVURJKSA-N 478.594 2.023 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1749659426 BYFIXFZRGLHGIE-UHFFFAOYSA-N 450.465 2.142 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2ccc(F)c(F)c2)C1 1749712688 KVQBPTHXNVPSAQ-IRXDYDNUSA-N 452.527 2.482 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(COc3ccccc3F)n2C[C@@H]2CCS(=O)(=O)C2)C1 1749718995 LFYSBHHECNXDMY-IRXDYDNUSA-N 450.536 2.212 30 10 JEEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 1760161565 JGGHFPKKEVMUMV-NBKJOAOTSA-N 486.661 2.232 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1cccc(OCCN(C)C)c1)[C@H]1CCS(=O)(=O)C1 1760183532 QSXFHLAMCMYCMU-FQEVSTJZSA-N 473.643 2.191 30 10 JEEE C#CCN(c1nnc(-c2ccc3ccccc3n2)n1CCNC(=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1760183649 CNRJQHGRACSEOF-IBGZPJMESA-N 494.621 2.282 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@](C)(O)[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1760192227 SCDLMTWYHUTYDM-GWJPWWOOSA-N 478.590 2.420 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H](C)CN1CCCC1 1760197383 VIQVGTYRKNUCRS-HXUWFJFHSA-N 468.627 2.000 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2ccccc2F)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1760204359 NDFOHOPYYFPFBL-IFMALSPDSA-N 469.586 2.285 30 10 JEEE C#CCN(CC#C)c1nnc(CCOc2ccccc2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1760206563 DTFLHWWDOWAZAT-FYYLOGMGSA-N 481.622 2.177 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CC(C)(C)N[C@@H](C)c2ccccc2)CC1 1760251612 DFCRJIYIOSGDMW-FQEVSTJZSA-N 451.619 2.301 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1760312939 GVYTVJBTPHBCSG-NEWSRXKRSA-N 467.636 2.191 30 10 JEEE C=C(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1760341256 NQLKDVUFYWAIDI-OAQYLSRUSA-N 461.655 2.004 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1760360557 GEMZMWIBAIGUAM-OALUTQOASA-N 489.621 2.499 30 10 JEEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCO[C@H]1CCOC1 1760464027 WSHDKDWWCMRQRZ-ZWKOTPCHSA-N 451.568 2.404 30 10 JEEE C=CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCN1CCCS1(=O)=O 1760464508 IRBNXUIXUGBGJA-UHFFFAOYSA-N 468.624 2.050 30 10 JEEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1C[C@@H](C)S[C@H](C)C1 1760515743 RFYLFHJZHSFZEI-HUUCEWRRSA-N 477.660 2.179 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCc2ccc(O)cc2C1 1760521797 DJNZUIYTPCANOU-HXUWFJFHSA-N 498.584 2.157 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN([C@@H](C)c2ccc(F)cc2F)CC1 1760522527 VPYWDQCUZPVJSG-IRXDYDNUSA-N 460.529 2.246 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1760555180 ZIKNTFJUTVRCTJ-GOSISDBHSA-N 477.606 2.302 30 10 JEEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1Cc1ccc(N(CC)CC)nc1 1763095394 CTKPIPASUMKCLN-UHFFFAOYSA-N 462.606 2.370 30 10 JEEE CCN(c1nnc(-c2cccc(C#N)c2)n1CC1(O)CCN(C(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 1766450996 HIFFHLIFGZZACX-OAQYLSRUSA-N 486.642 2.065 30 10 JEEE COC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C(C)C)N2CCOCC2)C1 1769397494 CXGIVMLDLXCMOU-FYYLOGMGSA-N 496.612 2.475 30 10 JEEE N#CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccnc(OCC(F)(F)F)c2)CC1 1770744113 FTDIZWMLGGUCFF-INIZCTEOSA-N 484.504 2.305 30 10 JEEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@@H]2c2cc(OC)c(O)c(OC)c2)c1 1862707745 CUSXLCKZOBLTBX-HXUWFJFHSA-N 470.478 2.132 30 10 JEEE N#Cc1ccccc1NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CC[C@H]1CCS(=O)(=O)C1 1866921462 BWSJTHRAKNWMOJ-UWJYYQICSA-N 455.536 2.145 30 10 JEEE C=CCn1cc(OCC(=O)NCc2ccccc2OC)c(=O)cc1CN(CCO)CCCC 1870641008 JVTJZXVZIZVOCN-UHFFFAOYSA-N 457.571 2.333 30 10 JEEE CCCCCCCCN=c1nc(Nc2ccc(S(N)(=O)=O)cc2)[nH]c(N2CCC(O)CC2)n1 1871510344 XRIRIFWGSUWMFV-UHFFFAOYSA-N 477.635 2.418 30 10 JEEE CCCNC(=O)CSc1nnc(COC)n1/N=C/c1cc(Br)cc(OC)c1O 1874498813 GDMNHIWALSBQHZ-DNTJNYDQSA-N 472.365 2.402 30 10 JEEE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 2000534723 WTFIAGUFVNMDFO-NTKDMRAZSA-N 484.553 2.051 30 10 JEEE CN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1)[C@H]1CC[C@H]1NC(=O)OCc1ccccc1 2247826164 PFSQOKVIRWWNSY-AEFFLSMTSA-N 454.336 2.238 30 10 JEEE Cn1ncc(C(=O)N[C@]2(C)CCN(C(=O)OCc3ccccc3)C2)c1B1OC(C)(C)C(C)(C)O1 2255665473 GVENDWDORYDHJO-XMMPIXPASA-N 468.363 2.250 30 10 JEEE CC(C)(C)OC(=O)NCc1nc(=NC(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)s[nH]1 2255707318 VCGBQYQRNXSWLC-UHFFFAOYSA-N 450.326 2.129 30 10 JEEE C=C(CS(=O)(=O)NC[C@H]1COC(C)(C)N1C(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2255793912 DPRVVZRKCIWZIR-HNNXBMFYSA-N 460.402 2.465 30 10 JEEE Cn1nc(C(=O)N2CC3(CC(NC(=O)OCc4ccccc4)C3)C2)cc1B1OC(C)(C)C(C)(C)O1 2267126431 ASOOWCZPXXXYTE-UHFFFAOYSA-N 480.374 2.250 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1COCCN(C(=O)OC(C)(C)C)C1 2267528461 FEEJOHYTRFSTNO-AWEZNQCLSA-N 467.397 2.116 30 10 JEEE C[C@H]1[C@@H](NC(=O)C(F)(F)F)[C@H](C)CCN1C(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2267538072 SXOFUOKSKGTCPU-MDZLAQPJSA-N 461.315 2.360 30 10 JEEE CN(Cc1csc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 2268714616 LJRRYOIDGLWMSS-JOCHJYFZSA-N 466.409 2.378 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2F)CCO1 2281782755 AQGPEHQMTQSWTE-INIZCTEOSA-N 464.343 2.491 30 10 JEEE Cn1ncc(C(=O)N2C[C@@H]3CC[C@]3(CNC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2281809988 YNCPIMJFIYNHDZ-WNSKOXEYSA-N 460.384 2.096 30 10 JEEE CCn1cc(C(=O)N2C[C@H]3CN(Cc4ccccc4)C[C@@H]3C2)nc1B1OC(C)(C)C(C)(C)O1 2282051593 UYGOSOMLEYBFPY-WOJBJXKFSA-N 450.392 2.406 30 10 JEEE CN(C[C@@H]1CCCCN1Cc1ccccc1)C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2282061732 OSNSYHDVPPBKHN-IBGZPJMESA-N 453.396 2.241 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 2282303829 BGVPOZLGOPYSPM-IRXDYDNUSA-N 478.420 2.438 30 10 JEEE C[C@@H]1CN(C(=O)OC(C)(C)C)CCCN1S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282349014 SPKPCEAHPQPWHK-MRXNPFEDSA-N 481.424 2.401 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1[C@@H]2C[C@@H]2CN1S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282498600 GYRUDVJCWCFEMR-IIAWOOMASA-N 499.464 2.117 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)c3cscc3B3OC(C)(C)C(C)(C)O3)C[C@H]2[C@H]1CO 2282521293 YKSPWOXAHSDBGV-HDMKZQKVSA-N 478.420 2.347 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC2CC3(CCN3C(=O)OC(C)(C)C)C2)n1 2282551587 KRGKCDFQQBXKGC-UHFFFAOYSA-N 460.384 2.239 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](CNC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1(C)C 2283070333 WJVLUIBSELGEBI-GJZGRUSLSA-N 460.384 2.445 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)CC(F)(F)F 2283072805 UJDNCJCSDQUQDX-LBPRGKRZSA-N 474.289 2.351 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)N1CCc2c(cccc2B2OC(C)(C)C(C)(C)O2)C1 2283977081 LMVBJFPZXUCVCL-KXBFYZLASA-N 460.380 2.145 30 10 JEEE COc1ccc(OC)c([C@@H]2C(=C(O)c3ccc([N+](=O)[O-])cc3)C(=O)C(=O)N2CCOCCO)c1 2296166954 JCRVIHDCGXIRPK-HXUWFJFHSA-N 472.450 2.043 30 10 JEEE C#CCOc1cn(CCCN2CCOCC2)c(CN2CCN(CC=Cc3ccccc3)CC2)cc1=O 2328909264 CUMJMBPIGHVQBP-UHFFFAOYSA-N 490.648 2.414 30 10 JEEE CC(C)(C)OC(=O)N1CC(F)(F)[C@](C)(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2336408486 SYBLLYSLHVBEFW-LJQANCHMSA-N 456.299 2.083 30 10 JEEE Cn1nc(C(=O)N[C@H]2C[C@@H]3C[C@H]2C[C@@H]3NC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2359268059 RIZIOVGQHQOFSY-VGWMRTNUSA-N 460.384 2.141 30 10 JEEE CC(C)(C)OC(=O)N1CC(F)(F)[C@@](C)(NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2361662704 NHIKCDCXTFPDQP-FQEVSTJZSA-N 468.310 2.150 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N=[S@@](C)(=O)C[C@@H](C)NC(=O)OC(C)(C)C)n1C 2362324383 RFVIXGFAGMXXDU-AYIMHOFYSA-N 484.428 2.179 30 10 JEEE CC(C)(C)OC(=O)N1CC(c2c[nH][nH]c2=NC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2380504115 YXMHKYBJVZXLCV-UHFFFAOYSA-N 475.380 2.174 30 10 JEEE NC(=O)CSc1nnc(NC(=O)CSc2n[nH]c(N/N=C/c3cccc(Cl)c3)n2)s1 20835139 PITXYVSXJMTEJJ-BLLMUTORSA-N 483.992 2.064 30 10 JEEE C=CCNC(=O)[C@@H]1CCCN1C(=O)c1ccc(NS(=O)(=O)c2ccc(OC)c(OC)c2)cc1 21712969 JNIBFFJZEPXOCA-IBGZPJMESA-N 473.551 2.411 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](Oc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 204866483 LFONKNQWQAEQDU-RDJZCZTQSA-N 476.383 2.059 30 10 JEEE C#CCN(C(=O)c1ccc2c(=O)n(-c3ccccc3F)c(S)nc2c1)[C@@H]1CCS(=O)(=O)C1 729331790 HCYKVLZVYBXWAC-OAHLLOKOSA-N 471.535 2.076 30 10 JEEE C=CCC[C@@H](NC(=O)C1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1)C(=O)OCC 1158280972 NDAZLDWSTLETHX-HXUWFJFHSA-N 450.557 2.304 30 10 JEEE C#Cc1cccc(NC(=O)NC(=O)CN2C[C@H](C)O[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)c1 1197468934 QUIBBAJWRMXWHD-BXKMTCNYSA-N 456.543 2.416 30 10 JEEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1286336186 HEYFBGFYVQITOA-FQEVSTJZSA-N 461.636 2.051 30 10 JEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 1286348901 AYLQBZWOOIQSMJ-ZWKOTPCHSA-N 465.620 2.335 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1CC[C@@](C)(O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1286386878 IVUPEGSGOBEZSA-GBXCKJPGSA-N 465.579 2.265 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1CC[C@@H](OC)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1286393739 MOWWRUPJTGOFPG-HUUCEWRRSA-N 450.527 2.461 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H](C)CN1CCOCC1 1286413323 IPZAQWCKTUUHES-VXKWHMMOSA-N 484.645 2.434 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@@H](C2CCCCC2)N(C)C)CC1 1286489643 ARGQNVCUOZJRKE-QFIPXVFZSA-N 464.618 2.211 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H](NC(=O)OCC)C1 1286568115 XPGWXQXLRQWIMF-WFXMLNOXSA-N 460.579 2.097 30 10 JEEE C=CCCOCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@@H](C(=O)NC)C1 1286709634 ACUSBAZYNJZXTI-MRXNPFEDSA-N 451.531 2.149 30 10 JEEE C=CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC(S(=O)(=O)CC)CC1 1286770139 VJAOVRLCBHTPPK-UHFFFAOYSA-N 466.633 2.136 30 10 JEEE C=CCOc1ccc(Cn2c([C@H]3CCCO3)nnc2N2CC[C@H](S(=O)(=O)NCC)C2)cc1 1286796288 ITTYPYUTALLVLT-VQTJNVASSA-N 461.588 2.261 30 10 JEEE C=CCOc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C)CC2)cc1 1286797142 RDZSWALKIBNFDU-OAQYLSRUSA-N 475.615 2.460 30 10 JEEE C=CCOc1ccccc1Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1286799084 PPEUNUZUGQLUEX-LJQANCHMSA-N 473.599 2.027 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCN(Cc2ccccc2)C[C@H]1C 1286818784 NUUBFHZXHPCXMY-LJQANCHMSA-N 467.599 2.047 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCN(Cc2ccsc2)CC1 1286823906 ZYGBOLCGOVSQLL-UHFFFAOYSA-N 472.640 2.248 30 10 JEEE CC(=O)N1CC[C@H](CN(C)c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(C)n(C)c2=O)C1 1286848195 FRKFOHFMBDOION-OAQYLSRUSA-N 489.580 2.089 30 10 JEEE C[C@H](C#N)CN(C)c1nnc(Cc2cn3ccccc3n2)n1CCNS(=O)(=O)c1ccccc1 1286967440 GWAIATIRWYBDJW-GOSISDBHSA-N 478.582 2.091 30 10 JEEE C#CC[C@@]1(C(=O)NCc2cccc([C@]3(C)NC(=O)NC3=O)c2)CCCN1C(=O)OC(C)(C)C 1292585062 PMTCDGGKOIVMOV-ZEQRLZLVSA-N 454.527 2.150 30 10 JEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2ccccc2OCC)CC1 1300363177 CHQCYBIYKQNOPW-FQEVSTJZSA-N 499.637 2.345 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccccc3Br)n2C[C@]2(O)CCO[C@H]2C)CC1 1300692781 MVAGNQKXVZVYBZ-HRAATJIYSA-N 460.376 2.003 30 10 JEEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1300844477 OPCIVRTYFKAIOY-HOTGVXAUSA-N 478.395 2.478 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CC[C@@]2(CNC(=O)C2)C1)C(C)C 1301367219 LQOOFNPAVRVYBF-HYBUGGRVSA-N 452.607 2.094 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC(O)(Cc2ccccc2F)CC1 1301500986 RZSNZVMJFSKSTE-IBGZPJMESA-N 457.550 2.187 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@H](c2nnc(N3CC[C@](F)(C#N)C3)n2CC2(S(C)(=O)=O)CC2)C1 1302221559 FAKRVPGGAGKWOZ-KKSFZXQISA-N 496.609 2.412 30 10 JEEE CS[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1316385773 CHOKFKYMTLPOTN-YLJYHZDGSA-N 470.599 2.308 30 10 JEEE C#CCCCn1c(-c2cccc(C)n2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1358927447 ZCJBGBIPVKQPAV-UHFFFAOYSA-N 463.586 2.002 30 10 JEEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1CN(CC(C)C)CCO1 1359009685 WFQBIXLHYAVIRB-QFIPXVFZSA-N 466.634 2.268 30 10 JEEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCSCCCO 1359010102 GRZXNORGFKOJHY-QGZVFWFLSA-N 453.609 2.162 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)(C)C)n2C[C@@H](N2CCOCC2)C(F)(F)F)n1 1359027496 LTOUKHCJMYBLGB-LJQANCHMSA-N 497.566 2.321 30 10 JEEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1359062347 DYYWZPYKJHZTAG-FHWLQOOXSA-N 463.648 2.500 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccc2OC)nnc1N1CCN(CC(=O)NCC)CC1 1359101696 RCTWYWKQOYZJKH-OFVILXPXSA-N 482.629 2.117 30 10 JEEE C=C(C)COCCn1c(N2CC(=O)N(C)C[C@@H]2C)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1359136749 UEWMSOJXVYHBED-OKZBNKHCSA-N 462.595 2.308 30 10 JEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1359227599 FXSLAZPOYQPPTN-HNNXBMFYSA-N 464.510 2.121 30 10 JEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(F)c(F)c1F)C1CC1 1359251411 KMYLAKDRESCBSY-QGZVFWFLSA-N 485.532 2.426 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1359304159 OHZZXPYFAVDJOQ-UXHICEINSA-N 452.559 2.024 30 10 JEEE C=CCOc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCS[C@H](C)C2)cc1 1359308792 ZCINLGGCDACJFW-YLJYHZDGSA-N 493.655 2.166 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1c1cccc(C)c1 1359326633 GMYKPOFLEWXTQU-IEBWSBKVSA-N 481.644 2.139 30 10 JEEE COc1ccc(C(=O)N2CCN(C(=O)[C@@H](C)Oc3ccc(C#N)cc3)CC2)c(OC)c1OC 1435395696 AJIRZNDAENEDEO-MRXNPFEDSA-N 453.495 2.336 30 10 JEEE CC#CCS(=O)(=O)c1cccc(C(=O)N(C)CCOCCN(C)C(=O)OC(C)(C)C)c1 1453570131 SNLFJRQNPXJUPJ-UHFFFAOYSA-N 452.573 2.439 30 10 JEEE C[C@@H]1CN(c2ccc(CNS(=O)(=O)c3ccc(Br)c(C#N)c3)cn2)CCO1 1474834066 FTXDNGLKWWGUFE-CYBMUJFWSA-N 451.346 2.419 30 10 JEEE CCN(CC)CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCCC2)CC1 1501909631 DHJJDYPPVDQHAX-UHFFFAOYSA-N 495.628 2.024 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)cc1SC 1507536727 DSXJPASGGWOWLR-AEFFLSMTSA-N 463.629 2.148 30 10 JEEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC1(O)CCN(C(C)C)CC1 1507612992 WLKJGXANWRLARI-UHFFFAOYSA-N 477.613 2.370 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCSC1)[C@@H]1CCS(=O)(=O)C1 1507624554 BMJORFMBBYSZLD-UKRRQHHQSA-N 484.445 2.416 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H]1CCSC1)[C@@H]1CCS(=O)(=O)C1 1507625168 HNLYSQMKRLAYGT-SJLPKXTDSA-N 476.624 2.342 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1CCC1CCC(OC)CC1)[C@H]1CCS(=O)(=O)C1 1507631337 CTGLYHPPXDNPRD-NUVZVAJJSA-N 450.605 2.004 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@H]2CCC[C@@H]2C)CC1 1507719050 XNQROQVGTJVTDK-FPOVZHCZSA-N 470.643 2.387 30 10 JEEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2nc(C)cs2)CC1 1507759407 GXLDOCTYIOJKJZ-ROUUACIJSA-N 462.645 2.460 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1507765555 SWIVJKNVGLEREZ-WHSLLNHNSA-N 468.624 2.136 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1ccc(F)cc1)N(C)C 1507821065 SVDVIXSBJPODSX-RTWAWAEBSA-N 494.637 2.455 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cc(F)ccc2F)CC1 1507844358 IPDBIUYOVYXDSK-QGZVFWFLSA-N 481.569 2.378 30 10 JEEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](C)CNC(=O)OC(C)(C)C)CC1 1507885212 VAPZEKUAXJOWMB-IRXDYDNUSA-N 453.609 2.497 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 1508141868 PLDYIPFPWXOHCK-HXUWFJFHSA-N 490.586 2.355 30 10 JEEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)CCCO2)C[C@@H]1C 1519222068 CYEBUQYQWGWIID-CYFREDJKSA-N 454.575 2.455 30 10 JEEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 1539086006 WKVQPRPLTBCLEP-LJQANCHMSA-N 453.522 2.467 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC1(OC)CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1539219175 BJERJBPMNAUUDP-KLOMGHIOSA-N 450.605 2.004 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCOCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1539219395 CDIYAUUUHUXQKJ-NHCUHLMSSA-N 458.584 2.363 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@](C)(OC)C1CC1 1539246688 VSOBUYUFFAAXLT-HSZRJFAPSA-N 455.584 2.083 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1CN(CC(C)C)CCO1 1539251624 KYYUXTSRPBKIAZ-NRFANRHFSA-N 451.571 2.392 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1([S@](C)=O)CCC1 1539285030 ZFLFMADOPMPJFG-OKJTYZQLSA-N 459.616 2.423 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)N2CCCC2)n1C[C@H]1NC(=O)CC1(C)C 1539384256 BHXKRMICYCNGQJ-LJQANCHMSA-N 452.534 2.208 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2Cc2ccc(NC(=O)N(C)C)cc2)CC1 1539453686 PDVIBANKGFNGSQ-UHFFFAOYSA-N 458.570 2.161 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@]2(O)CCC[C@H]2C)CC1 1539474631 VPUGAJLPPSAPLP-IQGLISFBSA-N 451.571 2.471 30 10 JEEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1539579451 MLXGZNIZKFGLHB-MRXNPFEDSA-N 493.410 2.151 30 10 JEEE C=C(Br)Cn1c(N2CCO[C@H](c3nnc(C)o3)C2)nnc1[C@]1(OC(C)C)CCOC1 1539612675 PIOMVXSTAFTVDR-KXBFYZLASA-N 483.367 2.497 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CCC(=O)N2)n1CCCN1CCN(c2ccncc2)CC1 1539667304 GQPVPRGBQBNTDP-OAQYLSRUSA-N 452.607 2.239 30 10 JEEE C=CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2ncnc3c2cnn3C)CC1 1539977018 HYUUEZQVZBKYKW-UHFFFAOYSA-N 466.594 2.166 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C(C)(C)C)no1)C1CC1 1540109756 SQMGOIUZADBNIW-KRWDZBQOSA-N 464.592 2.100 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC2(CC1)CNC(=O)C2)C(C)C 1540152141 QCELIINFYCFYRT-VQTJNVASSA-N 469.634 2.034 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(Cc3cccnc3)n2Cc2ccccc2S(=O)(=O)N(C)C)C1 1540894032 PBKRQTAFQBTALG-NRFANRHFSA-N 482.610 2.344 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H]1c1cnn(C)c1 1540899259 IQYMITWCWHUYDT-HXUWFJFHSA-N 451.556 2.493 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@H](C(=O)OC)C1 1540899458 PHZPEWAJSWVHJP-ZDUSSCGKSA-N 456.927 2.338 30 10 JEEE C[C@H]1COCCN1c1nnc(COc2ccc(C#N)cc2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1545100769 CHDZMGITABVPAQ-XUVXKRRUSA-N 454.575 2.453 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2CC2CCN(C(=O)OC)CC2)c1 1587693617 USGUSYWYMJWDNK-HXUWFJFHSA-N 480.569 2.317 30 10 JEEE C#CCCCCn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1587765983 NIHCKNIPFUTWSI-YADHBBJMSA-N 456.635 2.499 30 10 JEEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2cc(OC)cc(OC)c2)CC1 1587804062 TXGXKQJOPOBOTD-UHFFFAOYSA-N 454.575 2.169 30 10 JEEE C#CCN(c1nnc([C@@H](C)OCCOC)n1Cc1sccc1C)[C@H]1CCS(=O)(=O)C1 1588034957 NTLMIASVDSSEIS-SJORKVTESA-N 452.602 2.047 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1cc(OC)ccc1OC)[C@@H]1CCS(=O)(=O)C1 1588049567 IKHSCWDGWNOFKL-LJQANCHMSA-N 481.578 2.341 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H](CC)Oc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1588049964 ONZOELMREKHGAQ-MSOLQXFVSA-N 484.557 2.359 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1CCCN1CCCCCC1=O)[C@H]1CCS(=O)(=O)C1 1588059964 XORVTZZNLBYJMO-IBGZPJMESA-N 463.648 2.286 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@H](OC)C(C)C)[C@H]1CCS(=O)(=O)C1 1588070092 WKQUUONTNHNSJP-PXNSSMCTSA-N 464.563 2.294 30 10 JEEE C#CCN(CC#C)c1nnc(CCc2ccc(OC)cc2)n1Cc1ccc(-n2cncn2)nc1 1588158984 NWMUYTUCVUYPJB-UHFFFAOYSA-N 452.522 2.169 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCc2ccccc2OCC)CC1 1588751797 NGCPPRWYSQFKLH-RUZDIDTESA-N 453.587 2.327 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCCCN2CCC)CC1 1588864975 NUIBZJCXZUVRRD-FQEVSTJZSA-N 469.659 2.289 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCO1 1595162118 WPNIFBYFROCLRG-FUHWJXTLSA-N 467.617 2.044 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCN2CC=CCC2)C1 1595687612 AWUOCMNKZGWHIL-OAQYLSRUSA-N 486.642 2.239 30 10 JEEE CC(=O)NCC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCn2cc(C)cn2)CC1 1596616674 GKTKXXDARBBQMJ-UHFFFAOYSA-N 462.558 2.286 30 10 JEEE Cc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@](C)(C#N)C2)c(C)c1 1612079432 CBVSLXZQFSKYST-NFBKMPQASA-N 472.615 2.406 30 10 JEEE C#C[C@H](NC(=O)CCc1nc2c(c(O)nc(=O)n2CCCC)n1CC(C)C)C1CCOCC1 1618321617 HAENYBYYOQRWCU-SFHVURJKSA-N 457.575 2.232 30 10 JEEE COc1cc(Cl)ccc1-c1nnc(N(C)[C@@H](C)CC#N)n1CC1(O)CCS(=O)(=O)CC1 1619100989 BXQOLKPFRWLYFV-AWEZNQCLSA-N 467.979 2.285 30 10 JEEE C#Cc1cccc(NC(=O)CNS(=O)(=O)c2ccc(C)c(I)c2)c1 1661503431 DTSBUNJULYQBRR-UHFFFAOYSA-N 454.289 2.498 30 10 JEEE C=CCN1CC[C@@H](N(C)C(=O)Nc2ccc(C(=O)N3CCC(C(=O)OCC)CC3)cc2)C1=O 1667310164 RVJXTYNOFPOSKP-HXUWFJFHSA-N 456.543 2.353 30 10 JEEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC(S(C)(=O)=O)CC1 1689910431 GUQPUYSCCRDZRI-UHFFFAOYSA-N 463.991 2.288 30 10 JEEE C#CCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1689924926 ZJGLKBVDTOVIDO-UHFFFAOYSA-N 460.586 2.191 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CCC[C@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1689993645 IXXGJESZPUBUQN-LEWJYISDSA-N 457.600 2.240 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1CCN1CC=CCC1)[C@H]1CCS(=O)(=O)C1 1689996607 KOMUFFNLBGBJOY-NRFANRHFSA-N 469.611 2.054 30 10 JEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCN(C)C(=O)OC(C)(C)C 1690003015 AINIRVMZXZVQBP-UHFFFAOYSA-N 499.641 2.486 30 10 JEEE C#CCN(CC)c1nnc(Cc2cn3ccccc3n2)n1Cc1cccc(OCC(=O)N(C)C)c1 1690080324 OGZIHSQSVYHCHG-UHFFFAOYSA-N 471.565 2.491 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCOC(C)(C)C1 1690091057 IEFDLIYZLLNRCC-HXUWFJFHSA-N 489.617 2.070 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@](C)(O)c1ccc(F)cc1 1690092513 LJFVLHAUJPFWCT-QHCPKHFHSA-N 452.490 2.058 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2ccc(N3CCSCC3)cc2)CC1 1690112022 OKSOLVURTHPJIQ-OAQYLSRUSA-N 484.670 2.359 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2cccc(CN(C)C)c2)CC1 1690137736 HSNKIPZCPIEBQC-HHHXNRCGSA-N 494.640 2.006 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCOCC(F)(F)C(F)F)CC1 1690146532 PWAFMBDHUDNCPS-MRXNPFEDSA-N 475.487 2.403 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCc2cccc(C(=O)N(C)C)c2)CC1 1690146821 XWUMWOAAZQTCCZ-QHCPKHFHSA-N 492.624 2.430 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOCc1ccc(OC)cc1 1690206455 RNSCMIMDGSDJEG-WMZHIEFXSA-N 458.584 2.398 30 10 JEEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ncccc2C#N)CC1 1690464406 APRWKJIYDGFZOP-IBGZPJMESA-N 455.588 2.130 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 1690655205 KSRPVBWKJYTLOE-RBBKRZOGSA-N 479.629 2.306 30 10 JEEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N(C)Cc1cc(Br)cs1 1690675111 PLKMSPQFYYSAEB-UHFFFAOYSA-N 467.393 2.163 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1690675300 VREAAEZAYXGTPV-LJQANCHMSA-N 494.600 2.351 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCCC3(CCOCC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1690731573 MKQZMNFCNZPIJB-QHCPKHFHSA-N 482.647 2.317 30 10 JEEE C=CCSCCn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1690742687 YFXVVIDBWWDSJI-MRXNPFEDSA-N 453.576 2.100 30 10 JEEE COc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2CCN(CC(F)(F)F)C2)cc1 1697492499 BAPZKTXSGQDBEZ-APWZRJJASA-N 480.491 2.479 30 10 JEEE C#CCCCCn1c(-c2cc(Br)cn2C)nnc1N1CCN(CC(=O)N(C)C)CC1 1705511487 WLQOWNPAUDKEOH-UHFFFAOYSA-N 476.423 2.060 30 10 JEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1705538008 ASKBWWNRMQBJFM-UHFFFAOYSA-N 476.562 2.415 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCCO[C@@H]1C(C)C)[C@H]1CCS(=O)(=O)C1 1705564378 BXWXIOIKCLIJNM-JSXRDJHFSA-N 464.632 2.250 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1cc(C(C)(C)C)no1)[C@H]1CCS(=O)(=O)C1 1705569102 ZIUIWELGCGBFOE-SFHVURJKSA-N 485.614 2.100 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H]2CCSC2(C)C)CC1 1705645510 WBYMWNVQTPFJPA-NTKDMRAZSA-N 475.659 2.428 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 1705735878 XSMAEALVHYJIQN-IBGZPJMESA-N 454.579 2.062 30 10 JEEE C=C(Cl)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1705745807 IAWJYWFZVMNZTQ-UHFFFAOYSA-N 474.993 2.459 30 10 JEEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C[C@@H](c1cccs1)N1CCOCC1 1705747877 XAJJRPROZURBFT-HOTGVXAUSA-N 489.067 2.212 30 10 JEEE C=CCCOCCn1c(COc2ccc(F)cc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1705831751 BOJDPQAHJIJCJU-UHFFFAOYSA-N 472.521 2.110 30 10 JEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCSCc1ccccc1F 1705844194 XOVLWCKIICMQGI-GOSISDBHSA-N 469.608 2.306 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@]2(O)CCN(C)C2)C1 1705921417 RTGYQNOUISFWSX-CYFREDJKSA-N 457.575 2.200 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1705930323 KUNWLCKQTIGXSL-XXBNENTESA-N 457.600 2.280 30 10 JEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1705946471 ISSBREQAGAQPLF-LSDHHAIUSA-N 467.583 2.172 30 10 JEEE CCN(c1nnc(-c2ccc(C#N)cc2)n1CCC(=O)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1709937822 AJRGGUGHAXUAPC-HXUWFJFHSA-N 470.599 2.233 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1nnc(C)s1 1722293220 ZHQPRMNKADYXTI-HOCLYGCPSA-N 461.592 2.447 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1Cc1cnn(CC)c1)[C@@H]1CCS(=O)(=O)C1 1722357918 BAHJIBDGHZXMOK-OAQYLSRUSA-N 495.609 2.039 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1CCSCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1722362769 WIUMJBMRMCUBHP-AWEZNQCLSA-N 461.535 2.206 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(C[S@@](C)=O)cc1 1722403418 QFUYDNOFFOMPQS-DRSMIVCTSA-N 454.596 2.392 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@H]1CCOC1 1722447368 LFFVCAKMMODWKH-GOSISDBHSA-N 450.543 2.358 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(C)(C)c2cccs2)CC1 1722447561 MJOTXAVPELRTCY-SFHVURJKSA-N 489.667 2.185 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCc2sc(C)nc2C)CC1 1722453472 UGTUIECJPJVGHM-FPOVZHCZSA-N 486.642 2.284 30 10 JEEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H](C)O[C@@H](C)C1 1722453887 FWIFAZHSSPKGCL-IRXDYDNUSA-N 463.629 2.175 30 10 JEEE C#CCSCCn1c(-c2cccnc2)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1722456335 XGQGIZSTASUCFW-UHFFFAOYSA-N 482.635 2.359 30 10 JEEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CCc2cccs2)CC1 1722542735 GTRHAYMCGQSWQU-HNNXBMFYSA-N 459.041 2.067 30 10 JEEE C=C1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCS(=O)(=O)C(C)(C)C)CC1 1722562822 MRMFVWYXOFFHGI-UHFFFAOYSA-N 456.576 2.291 30 10 JEEE CC(C)(C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1722879351 HBJCQAOFFHPWCQ-FQEVSTJZSA-N 465.602 2.138 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCCCCC2)nc1 1723912087 IETVFJSKQQWULE-ZWKOTPCHSA-N 474.635 2.450 30 10 JEEE CC1(C)COCCN1CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CC(N)=O)C1 1724030254 BLGJFJMIZSMMAG-IBGZPJMESA-N 451.575 2.019 30 10 JEEE COCCN(CCC#N)c1nnc(Cc2cn3ccccc3n2)n1CC1CCN(C(C)=O)CC1 1730763061 BFSUERBTOCEGMA-UHFFFAOYSA-N 464.574 2.142 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC2CCCC2)cc1 1740553423 RZLVCLODLYPTCE-AVRDEDQJSA-N 487.626 2.439 30 10 JEEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CC(=O)NCCc1ccccc1 1740559234 ZLGUYQHVHQJKAY-KRWDZBQOSA-N 450.568 2.086 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC1(c2ccccc2OC)CCC1)[C@H]1CCS(=O)(=O)C1 1740615521 GJIKKGBCFNFANO-IBGZPJMESA-N 499.637 2.174 30 10 JEEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@@H]1CC(F)(F)CO1)[C@@H]1CCS(=O)(=O)C1 1740619953 BAJOTXOALQHJSV-CABCVRRESA-N 454.474 2.135 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCCN(C(C)=O)C1 1740676621 ITCKIEOGQPESRO-FPOVZHCZSA-N 452.534 2.267 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(CC(C)(C)C)n2C[C@H]2CCCS(=O)(=O)C2)n1 1740689265 TXIJDEVKTGRRQJ-LJQANCHMSA-N 476.647 2.174 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2Cc2ccnc(OC3CCOCC3)c2)CC1 1740706206 SSMODANRFVNMDS-UHFFFAOYSA-N 480.613 2.444 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@](C)(O)CCC)CC1 1740706946 JKGDMMQWHZXGKP-VWLOTQADSA-N 453.587 2.394 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(F)cc1 1740774476 TUUVGWVJQNTONC-LJQANCHMSA-N 451.568 2.395 30 10 JEEE C=CC1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CCOCCCO)CC1 1740835370 FDNRXQZCUDTNHU-UHFFFAOYSA-N 462.620 2.348 30 10 JEEE C=CC[C@@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(C)(OC)C1)c1ccccc1 1740856450 SWXIOZQQKQOQEX-VQTJNVASSA-N 475.615 2.196 30 10 JEEE C=CCN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1740903796 LSIYLVTUARUJDQ-MRXNPFEDSA-N 467.603 2.393 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1740990955 LATLMDBSDWSODT-NRFANRHFSA-N 464.680 2.141 30 10 JEEE C=CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC(C(N)=O)CC1 1741000691 UWSFIEKLUAQZBZ-UHFFFAOYSA-N 467.599 2.296 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1CCc1ccn(-c2ccc(F)cc2)n1 1741903954 GDNQEGIOXJKBCI-CVEARBPZSA-N 474.566 2.194 30 10 JEEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2[C@@H]2C[C@H]2C(C)C)C1 1746551259 CSBPGNHCEPFXIF-SLFFLAALSA-N 458.588 2.464 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@H](C)CN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1748818467 BUHDOYQBZJQMNJ-DENIHFKCSA-N 473.618 2.367 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCCCSC)[C@@H]1CCS(=O)(=O)C1 1748818831 HCZZTMHMVVUOHV-QGZVFWFLSA-N 453.659 2.404 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1nnc(CC)s1 1748824430 AYFVSEMHWSMFHX-UHFFFAOYSA-N 453.959 2.397 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCCS(=O)(=O)C1 1748868705 FMBOKENUJXCSGJ-OAHLLOKOSA-N 464.389 2.323 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1CCN(CCN(C)C)CC1 1748913988 DEIFOYJMQMVXMD-UHFFFAOYSA-N 472.659 2.082 30 10 JEEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1749115662 UPBWUPGEOAPIJX-KSZLIROESA-N 481.395 2.321 30 10 JEEE C=C(Cl)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(c2cnn(C)c2)CC1 1749271545 ZDTYODKMVGEGQF-GOSISDBHSA-N 493.012 2.399 30 10 JEEE C=C(Cl)Cn1c(N2CC[C@@H](S(C)(=O)=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1749281839 MMEZBUGHRMZPNT-QLFBSQMISA-N 460.000 2.425 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](Oc2ccccn2)C1 1749368586 MSWPFPZSKMGWAN-MOPGFXCFSA-N 490.630 2.266 30 10 JEEE C=CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1)C1CC1 1749527966 XXPYDDBVDVNRMU-SFHVURJKSA-N 456.572 2.165 30 10 JEEE C=CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1749606329 UGYDDRSIQKGVGP-PXNSSMCTSA-N 479.578 2.374 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(OC[C@H]2CCOC2)CC1 1749655306 HFDBHARKUQUPTG-HNNXBMFYSA-N 493.406 2.360 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@H](NC(C)=O)C1 1749724523 KREDYFABVROVOE-SFHVURJKSA-N 496.431 2.413 30 10 JEEE C[C@@H](CN1CCCC1)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C(N)=O)CC1 1751155446 ANLLAXLJRDJPTG-SFHVURJKSA-N 451.575 2.162 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCC2(C1)OCCO2 1760102850 SSZREDVZTDSSDF-ZWKOTPCHSA-N 473.599 2.197 30 10 JEEE C#CCCCn1c(-c2noc3c2COCC3)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 1760152574 QFHPYLJEBAQRQU-OAHLLOKOSA-N 470.555 2.264 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1ccc(OCC=C)cc1)[C@@H]1CCS(=O)(=O)C1 1760188839 QKOQFJGCUNJCKD-NHCUHLMSSA-N 470.595 2.412 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1nc(C)c(C)s1 1760244721 FCNFNLCYWPDDHW-UHFFFAOYSA-N 488.639 2.403 30 10 JEEE C=C(Br)Cn1c(COc2ccc(OC)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1760311882 CXXUFDKYQCPKBE-YOEHRIQHSA-N 462.348 2.489 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1CCCC[C@H]1C)C1CC1 1760476786 GNWMDQHQCQIOAD-QUCCMNQESA-N 466.652 2.030 30 10 JEEE C=CCN(CC=C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1CCS(=O)(=O)C1 1760489031 AZWKMJYCCYIZCJ-KRWDZBQOSA-N 463.991 2.475 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC(O)(c2c(F)cccc2F)CC1 1760520240 HEKFOIVVSUTDAU-UHFFFAOYSA-N 456.497 2.352 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2C[C@H](C)O[C@@H](c3ccccc3)C2)nnc1[C@]1(OCC)CCOC1 1760558333 MJQXUKGWIWTTDJ-LEEZEASISA-N 490.626 2.497 30 10 JEEE CC(C)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N2CCOCC2)CC1 1761265952 DBOXVXAJLXZMMH-UHFFFAOYSA-N 451.575 2.032 30 10 JEEE C[C@@H]1CN(CCCn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)CCCO1 1763198511 GISKHMFJVSKYQX-KNQAVFIVSA-N 486.642 2.331 30 10 JEEE CN(C)CCN1CCC(Cn2c([C@H]3CCC(=O)N3)nnc2N(C)Cc2ccc(C#N)cc2)CC1 1766927868 GQZSWGWBZUBYII-JOCHJYFZSA-N 464.618 2.011 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)COc3cccnc3NC(=O)NCCCN(C)C)cc21 1858806461 BHVKKWCZPQGCOQ-UHFFFAOYSA-N 467.526 2.328 30 10 JEEE CC[C@](C)(NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1)C(=O)N1CCN(c2ncccn2)CC1 1868795537 LZGIEENIZIHVBD-CPJSRVTESA-N 495.653 2.448 30 10 JEEE C=CCn1c(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)cc2c(NCCOCCO)ncnc21 1873631649 CMDNYTMYAYANAH-UHFFFAOYSA-N 479.585 2.042 30 10 JEEE Cn1cc(/C=N/n2c(SCC(N)=O)nnc2[C@H]2CC(=O)N(C(C)(C)C)C2)c2ccccc21 1874275175 YHQRNDCQIKUMPY-QVOODPNWSA-N 453.572 2.344 30 10 JEEE CC(C)(C)N1C[C@H](c2nnc(SCCCO)n2/N=C/c2ccc(O)c([N+](=O)[O-])c2)CC1=O 1874276759 AWFAJWAYDZTFPE-VPNURPJOSA-N 462.532 2.363 30 10 JEEE COc1cccc(CCc2nnc(SCC(N)=O)n2/N=C/c2cc(OC)c(O)c(OC)c2)c1 1874309392 SWUWDUXZCLSNNC-WYMPLXKRSA-N 471.539 2.254 30 10 JEEE CCOc1cc(/C=N/n2c(COC)nnc2SCCO)ccc1OCC(=O)N(CC)CC 1874505847 BSHFVVQVNYAONR-LPYMAVHISA-N 465.576 2.037 30 10 JEEE N#Cc1cccc(S(=O)(=O)N2CC[C@H](COc3ccc4nnc(C(F)(F)F)n4n3)C2)c1 1890307779 YWGJDNBVPHEIIQ-ZDUSSCGKSA-N 452.418 2.104 30 10 JEEE CC(C)(C#CC(=O)N1C[C@H](NC(=O)OC(C)(C)C)CC[C@H]1C(=O)O)NC(=O)OC(C)(C)C 2082720663 LPGHPDVXTVJLPY-CABCVRRESA-N 453.536 2.262 30 10 JEEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)CC2(C#N)CCOCC2)CCN1C(=O)OC(C)(C)C 2118162868 IZMXIKIRVDIWCM-UHFFFAOYSA-N 488.607 2.341 30 10 JEEE CC(C)(C)OC(=O)N[C@]1(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)CCN(Cc2ccccc2)C1 2124734371 VZVSQHQZKSUDLN-PXDATVDWSA-N 453.587 2.355 30 10 JEEE CCc1nc(-n2cnc(I)c2I)c(C(N)=NO)cc1C 2155371364 XCHDYCORZYFYNG-UHFFFAOYSA-N 497.078 2.442 30 10 JEEE COC1(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)CN(C(=O)OC(C)(C)C)C1 2255623271 KZBTXBZBGOQFPS-UHFFFAOYSA-N 452.382 2.413 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H]1C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2256619892 BTUBIRAZKFUUGZ-JSGCOSHPSA-N 455.361 2.406 30 10 JEEE C[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)O)c1cscc1B1OC(C)(C)C(C)(C)O1 2256620298 GXGBSNAPVAJMKK-XEZPLFJOSA-N 454.398 2.499 30 10 JEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O 2267137105 KOQMBBIPBVHQMT-GOEBONIOSA-N 466.409 2.313 30 10 JEEE CC(C)(C)OC(=O)NCCOCCCNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2267372087 JGNWMLWCQUZUSK-UHFFFAOYSA-N 490.453 2.257 30 10 JEEE C[C@@H]1C[C@H](NS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CN1Cc1ccccc1 2267703922 DZKQNBSXYGGOSM-XLIONFOSSA-N 457.405 2.322 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1NC(=O)CN(CCO)C(=O)OC(C)(C)C 2268725210 SRFUWDFZKKKJMG-UHFFFAOYSA-N 450.341 2.162 30 10 JEEE Cn1nc(C(=O)NC[C@@H]2CC[C@H]2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2271960218 MTTYHMQYEIOIRK-QWHCGFSZSA-N 468.791 2.406 30 10 JEEE Cc1cc(C(=O)Nc2nc(CCNC(=O)OC(C)(C)C)n[nH]2)oc1B1OC(C)(C)C(C)(C)O1 2281972856 PRBPSRGVTPQMDT-UHFFFAOYSA-N 461.328 2.325 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CCC1(F)F 2281991234 XNIKHAABSWNKBG-CQSZACIVSA-N 470.326 2.474 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](NS(=O)(=O)c3cncc(B4OC(C)(C)C(C)(C)O4)c3)C[C@H]21 2282288917 TVQIQEWMARCMAL-FGTMMUONSA-N 479.408 2.057 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)C1CCN(C(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)CC1 2282577450 FIDJVWVJEFBSHL-HNNXBMFYSA-N 462.400 2.485 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C 2282581700 LHQIEUNBVLTMRH-HOTGVXAUSA-N 462.400 2.435 30 10 JEEE CC[C@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)CC[C@@H]1NC(=O)OC(C)(C)C 2282627152 GQAZYPILHASNMP-HOTGVXAUSA-N 462.400 2.485 30 10 JEEE Cc1cnc(C(=O)NCc2c[nH][nH]c2=NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2282653336 DATNNRSNTGBAJV-UHFFFAOYSA-N 457.340 2.111 30 10 JEEE Cc1c(B2OC(C)(C)C(C)(C)O2)cccc1C(=O)N1C[C@H](O)C[C@@H]1CNC(=O)OC(C)(C)C 2282684315 PEYGYIWHUCLZHX-IAGOWNOFSA-N 460.380 2.394 30 10 JEEE CC(C)(C)OC(=O)N1CC(N(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C2CCC2)C1 2283069789 TTYXKAKQSOEVDV-UHFFFAOYSA-N 458.368 2.390 30 10 JEEE C[C@H](NC(=O)CN1CCN(C(=O)OC(C)(C)C)CC1)c1nscc1B1OC(C)(C)C(C)(C)O1 2283953543 UTYBWBQJPVEWMS-HNNXBMFYSA-N 480.440 2.172 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1COC[C@H]1C(=O)N1Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C1 2283973302 UOKISXDQVSWSJV-RTBURBONSA-N 458.364 2.368 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H]3C[C@@]3(CNC(=O)OC(C)(C)C)C2)n1 2288253089 UASQBMXMACUQDV-NPMXOYFQSA-N 460.384 2.189 30 10 JEEE COc1cc([C@H]2C(=C(O)c3ccco3)C(=O)C(=O)N2CCCN2CCOCC2)cc(OC)c1OC 2296933605 XAWNUDRSBBFOIF-NRFANRHFSA-N 486.521 2.449 30 10 JEEE CC(C)(C)OC(=O)N1CCN(c2ncc(Cl)cc2B2OC(C)(C)C(C)(C)O2)C[C@H](O)C1 2317225270 ZOOOKNDKANPZKA-HNNXBMFYSA-N 453.776 2.452 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@](C(=O)N=c3nc(B4OC(C)(C)C(C)(C)O4)[nH]s3)(C2)C1 2334388741 JFVGVEYPJTWYAR-LRTDBIEQSA-N 464.397 2.235 30 10 JEEE Cc1nn(C)c(C(=O)N[C@H]2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2366857957 NQAZQHUUTWIWLA-JYJNAYRXSA-N 460.384 2.155 30 10 JEEE C[C@@]12O[C@H]3C[C@@H](O1)[C@]1(C=O)[C@H]4[C@H](O)C[C@]5(C)[C@@H](c6ccc(=O)oc6)CC[C@]5(O)[C@@H]4CC[C@@]1(C3)O2 8234198 BMRNQSAXDJQXEL-BGJAGFQLSA-N 472.534 2.251 30 10 JEEE in-vitro C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cc2n(n1)CCN(C)S2(=O)=O 1125735293 AMQOGAYOTLVUAE-UHFFFAOYSA-N 457.325 2.247 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(N2CCOCC2)c(F)c1 1286271830 WCWPCELGLHAQDZ-KRWDZBQOSA-N 463.517 2.407 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1Cc1ccn(C)n1)[C@H]1CCS(=O)(=O)C1 1286388006 KBMPOWVTRYGYQH-INIZCTEOSA-N 462.938 2.146 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC(C)(C)N[C@H](C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1286388855 CGQVERPVGBKMOS-DENIHFKCSA-N 495.653 2.435 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCS(=O)(=O)C(C)(C)C 1286415591 PCLDBDPSGCVWJR-HDICACEKSA-N 477.631 2.335 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@]2(N(C)C)CCC[C@@H](C)C2)CC1 1286469221 BWDQUMUDDMUJGZ-NLFFAJNJSA-N 457.667 2.462 30 10 JEEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2Cc2c(CC)nn(C)c2CC)CC1 1286481256 AOQMXPUXYMFUJD-UHFFFAOYSA-N 452.632 2.296 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCN2CCCC[C@H]2CC)CC1 1286494089 RFOYAVDIGMUBJH-FGZHOGPDSA-N 456.635 2.402 30 10 JEEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1286499888 LOWMXNZNYJNWEB-UHFFFAOYSA-N 498.653 2.073 30 10 JEEE C=C(Br)Cn1c(CC(C)C)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1286540423 AWRYFXUIMCHAPP-MRXNPFEDSA-N 476.441 2.016 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1286549218 WNNSVDOEEMLOIX-FYYLOGMGSA-N 487.693 2.392 30 10 JEEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2ccc(Cl)nc2C1 1286599564 ASYUHUWOCJMCCE-AWEZNQCLSA-N 454.984 2.092 30 10 JEEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1286776219 KGDCRHLZVJIPQR-GOSISDBHSA-N 467.530 2.307 30 10 JEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2ccccc2Cl)C1 1286776295 QHUMYBDJSYQSAA-MSOLQXFVSA-N 467.979 2.028 30 10 JEEE C=CCn1c(COc2ccc(OC)cc2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1286777361 WHWGWIVJKKTXIK-UHFFFAOYSA-N 465.558 2.432 30 10 JEEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1286778600 HRJCYJMZPBOABJ-OALUTQOASA-N 473.622 2.279 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](C(F)(F)F)C1 1286813701 ABWDZPKTPRBGNM-CQSZACIVSA-N 472.493 2.305 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(C)nc3ccccc23)nnc1N1CC(=O)N(C)[C@H](C)C1 1286816270 DVKHIHBISBNHEE-QGZVFWFLSA-N 468.583 2.069 30 10 JEEE Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCCn1cc(Br)cn1 1290863320 DKHCNXGFJRSUCU-UHFFFAOYSA-N 456.352 2.229 30 10 JEEE CCC(CC)(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N)SC 1291931844 COEQVEMRBRLFHG-CVEARBPZSA-N 458.654 2.129 30 10 JEEE CN(CCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@](F)(C#N)C1)CC(F)(F)F 1298666530 GCILKJYCNAOHMV-IBGZPJMESA-N 478.458 2.247 30 10 JEEE C#CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1300407607 BJFZOZQWYISNEV-MOPGFXCFSA-N 494.662 2.324 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1CCCN1CCOC1=O 1300649589 NSLSDIAQNIBPBT-UHFFFAOYSA-N 454.506 2.022 30 10 JEEE C#CCN1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CCCN(CC)CC)CC1 1300686074 WZPSSSYMBMUECR-UHFFFAOYSA-N 486.690 2.034 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CC(C)(C)N2C[C@@H](C)O[C@H](C)C2)CC1 1300725811 DQWACCXCEGESDR-NHCUHLMSSA-N 493.656 2.118 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2Cc2ncccc2N(C)C)CC1 1300728955 LFZRMDWKLDBWKP-UHFFFAOYSA-N 463.611 2.406 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1300871351 BOAATMAMXHIRRD-CIWUYKSXSA-N 477.635 2.117 30 10 JEEE C=C(C)COCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1300999612 DYTRRIVGJKBKQQ-QHCPKHFHSA-N 493.612 2.064 30 10 JEEE C=C(Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](COC)C1)c1ccccc1 1301008869 CFTTYWWBKJZOIC-TZIWHRDSSA-N 475.615 2.187 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)N2CCc3c(cccc3N3CCOC3=O)C2)[C@H](C#N)C1 1312467929 DAZXJCGESICKKE-SJLPKXTDSA-N 455.515 2.470 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCCS2)c1 1358900506 LYJVMGWOLSRTJZ-LJQANCHMSA-N 452.584 2.466 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1CC1(C)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1358959726 ORXBWKWXFGQIJW-GOSISDBHSA-N 488.610 2.406 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCc1ccc(OC)c(F)c1)[C@H]1CCS(=O)(=O)C1 1358963886 POONCSNHLHIRCA-MOPGFXCFSA-N 476.574 2.189 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1CCNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1358964495 AARCHXSINOQHOG-QGZVFWFLSA-N 479.628 2.082 30 10 JEEE C#CCN(c1nnc(COc2ccccc2CC)n1C[C@H]1CCN(CC)C1)[C@@H]1CCS(=O)(=O)C1 1358967825 TUNWXONMFRWKDM-RBBKRZOGSA-N 485.654 2.388 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@@H]1CCC[C@@H](O)C1)[C@H]1CCS(=O)(=O)C1 1358967889 VBBDEFUTSRGWCS-YZGWKJHDSA-N 476.574 2.174 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCCCN1C1CC1 1358971967 OXLMROKWZZTCHA-QFIPXVFZSA-N 480.638 2.285 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2cc(Br)ccc2F)CC1 1359027971 BUMUGVGIZFDFGZ-UHFFFAOYSA-N 489.393 2.414 30 10 JEEE C#CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1359052724 OBVBRXSDMNWPPR-QHCPKHFHSA-N 468.583 2.135 30 10 JEEE C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1359118166 RKSIPIMANDRWDI-AWEZNQCLSA-N 471.425 2.388 30 10 JEEE C=C(C)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC(S(C)(=O)=O)CC1 1359123366 CCOIEQYPKXVOGK-UHFFFAOYSA-N 472.659 2.232 30 10 JEEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(N2CCCC2=O)CC1 1359183280 HUFBLIXIWGHIHO-INIZCTEOSA-N 452.625 2.082 30 10 JEEE C=CCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1359205534 AYGJDXNUEVBINM-UHFFFAOYSA-N 477.569 2.012 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C(C)C)C1 1359291884 DIDGZVBIOLACDL-GOSISDBHSA-N 460.966 2.025 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1359294614 ZAKPAUHEGKIWJG-FQEVSTJZSA-N 458.010 2.117 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1359295234 VIYGEZFIWHXKEM-GBXCKJPGSA-N 493.656 2.189 30 10 JEEE C=CCC1(O)CCN(C(=O)CN2C(=O)N[C@](C)(c3ccc(Br)cc3)C2=O)CC1 1471935962 OHGYLYYWKQVSFE-LJQANCHMSA-N 450.333 2.146 30 10 JEEE COc1ccccc1OC[C@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H](C)C#N 1504428331 HUHHJQUCIRTEOV-RCCFBDPRSA-N 461.588 2.500 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC1=CCc2ccc(OC)cc21 1507536497 CIKKXAWBOHBGGY-VGSWGCGISA-N 485.610 2.107 30 10 JEEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(COCC(F)(F)F)c1 1507617322 SZSQSJGENJZIPD-KRWDZBQOSA-N 456.490 2.377 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1CC(C)(C)OC)[C@@H]1CCS(=O)(=O)C1 1507629043 ZNUGBAJZPZIJOA-QGZVFWFLSA-N 462.572 2.014 30 10 JEEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1507782772 ANTZOWIOHWWNEZ-CVEARBPZSA-N 473.379 2.457 30 10 JEEE C=C(Cl)Cn1c(N2CCN(C(=O)c3ccccn3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1507875128 NPDXYPXUACTPAH-JOCHJYFZSA-N 460.966 2.429 30 10 JEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cn(C)nc2-c2ccccc2)CC1 1507879858 GAHUJZCPRZOWOG-QGZVFWFLSA-N 455.588 2.494 30 10 JEEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@H](C(=O)NC)C1 1507941357 DPUORWYWDSMYNN-SFHVURJKSA-N 460.604 2.124 30 10 JEEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1507942400 QBHVQYRDNKPSCW-IBGZPJMESA-N 474.631 2.466 30 10 JEEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C(F)(F)F)cc2)CC1 1508049288 UOAMOXSNXPFBMZ-AWEZNQCLSA-N 458.510 2.420 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccn3)n2Cc2ccc(S(C)(=O)=O)cc2)C1 1508130432 UZRYWDBTOVVQNS-FQEVSTJZSA-N 453.568 2.497 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCSCC1 1508132110 VDCXNCLRKIINLX-UHFFFAOYSA-N 470.020 2.016 30 10 JEEE C[C@H](C#N)CN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(S(C)(=O)=O)CCCC1 1508420840 DJJAXYAISQGORY-MRXNPFEDSA-N 483.598 2.145 30 10 JEEE CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](c2ccsc2)N(C)C)CC1 1515990394 HUUNKQUIVLVMBB-JOCHJYFZSA-N 492.653 2.439 30 10 JEEE CCOC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(OC)CCOC2)C1 1516056244 BXONDZWEHZMSFS-AUSIDOKSSA-N 454.531 2.337 30 10 JEEE COc1ccccc1OCc1nnc(N2CC[C@@](F)(C#N)C2)n1CC1CCS(=O)(=O)CC1 1518514282 DRKDQWRDVYKVAP-OAQYLSRUSA-N 463.535 2.132 30 10 JEEE C#CCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1539109719 UOSDDLZKLLDZIH-QGZVFWFLSA-N 459.572 2.195 30 10 JEEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1539176933 WGKWBTOGGUEOLU-IBGZPJMESA-N 492.550 2.175 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1CCCCN1CCN(CC)CC1 1539265311 FJXHQVGLVOJDSK-XMMPIXPASA-N 462.598 2.281 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC2(C)CCOCC2)CC1 1539427340 BEMPHYUMXZKXBL-UHFFFAOYSA-N 471.005 2.433 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2Cc2ncccc2C)CC1 1539434170 BHQNKWPNRRRWPR-UHFFFAOYSA-N 462.554 2.478 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2C[C@@](C)(O)CCOC)CC1 1539436384 QJMIIHRPYUXVMH-QFIPXVFZSA-N 492.418 2.259 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2Cc2ccc(OCCN(C)C)cc2)CC1 1539453592 MXVFIBCPMLOIMS-UHFFFAOYSA-N 459.598 2.008 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(Cl)c(OC)c2)CC1 1539477289 LJPOIDBZHNAUTM-UHFFFAOYSA-N 467.961 2.355 30 10 JEEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCC(CC(=O)N2CCN(CC)CC2)CC1 1539505152 HNMIGHIZIDBTDG-UHFFFAOYSA-N 483.686 2.421 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1539533166 LOTIGJVACOKPKY-OXQOHEQNSA-N 456.513 2.062 30 10 JEEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1C[C@H](C)C[C@@H](C)C1 1540863862 HMOSOTXLGFEAOS-HZPDHXFCSA-N 459.620 2.331 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(c2ncccc2F)CC1 1540867163 MUFASNDCFOWZQT-UHFFFAOYSA-N 481.532 2.125 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCO[C@H](c2cccc(OC)c2)C1 1540907906 MCBYXBUCNQRUJL-UXHICEINSA-N 462.572 2.317 30 10 JEEE C=CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1540913107 IJXUEEFGXBHGMV-GOSISDBHSA-N 491.687 2.462 30 10 JEEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1CCCN1C[C@H](C)O[C@@H](C)C1 1554381202 AGKHMKSFUIFKMM-QYZOEREBSA-N 453.591 2.134 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1c[nH]c2cc(C)ccc12 1587638320 CVVGPJIQDPVGFU-UTKZUKDTSA-N 470.599 2.101 30 10 JEEE C#CCCCn1c(CC(C)C)nnc1N1C[C@@H]2[C@@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1587862589 WWVIFBZGPLKKBO-SQNIBIBYSA-N 465.620 2.017 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1Cc1cnc(C)s1)[C@H]1CCS(=O)(=O)C1 1588034368 FCQCDKPEIRDBJY-AWEZNQCLSA-N 495.428 2.476 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@]1(O)CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1588064430 IBNFJBRFAUMOPX-LJFZDNNRSA-N 472.611 2.055 30 10 JEEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CN(CC(C)C)CCO1 1588310170 SHBPKGXOKPRQJT-LJQANCHMSA-N 473.647 2.055 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccc([C@@H](C)O)cc2)CC1 1588750902 GYVAXFHAQIHHTP-CJFMBICVSA-N 453.587 2.176 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCCNC(=O)OC(C)(C)C)CC1 1588837573 YPLCGIDTDFJGEW-OAQYLSRUSA-N 482.585 2.461 30 10 JEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2CCN(c3ccncc3)CC2)CC1 1594013094 CDKLBAKYNKEHRI-GOSISDBHSA-N 459.620 2.356 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC[C@H](C2CCC2)C1 1594497379 GJPIGMWPDIYOMM-UXHICEINSA-N 481.663 2.466 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CN2CCOCC2)CC1 1594498838 XZQHIIMLRATBAQ-FQEVSTJZSA-N 465.664 2.331 30 10 JEEE C=CCN(CC=C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1595171490 VMUZIWGGFOKMJA-IBGZPJMESA-N 451.575 2.361 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nncn1CC 1595239208 GZBMMANRSJTIAY-IBGZPJMESA-N 455.588 2.075 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1595466706 MEOFPJROWXTVQJ-QAPCUYQASA-N 460.966 2.025 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1595490108 MFVJHNULWPLVHX-HNNXBMFYSA-N 487.406 2.151 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(CSc3ccccc3OC)n2CC(=O)N2CCOCC2)C1 1595754832 QLWKXIKJOFWWEB-GOSISDBHSA-N 473.599 2.219 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 1595785355 XXJAZXVQXFXOOA-GOSISDBHSA-N 476.647 2.262 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCCN(C(=O)c2ccccc2)CC1 1595799057 WKEZCQCHLOSDQD-UHFFFAOYSA-N 457.600 2.499 30 10 JEEE CC(=O)N1CCN(CCn2c(COc3ccc(C#N)cc3)nnc2N2C[C@H](C)C[C@@H](C)C2)CC1 1596296582 IAAUOGLEURKBGP-WOJBJXKFSA-N 465.602 2.375 30 10 JEEE C[C@@H]([C@@H](C)N(C)CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2)S(C)(=O)=O 1615504237 CFRUOYUATGFTNQ-IKGGRYGDSA-N 450.605 2.109 30 10 JEEE CN(C)C(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1617607076 FHNMLLSNIFUUAA-UHFFFAOYSA-N 495.385 2.389 30 10 JEEE CSCc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)cc1 1620246732 FUAFHXDJGPLDHW-LIRRHRJNSA-N 452.581 2.242 30 10 JEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(Cc2nc(N)c3ccccc3n2)CC1 1629378201 URFVOXYAVJPFHB-IBGZPJMESA-N 452.559 2.163 30 10 JEEE C#CCN1CCC[C@H](NC(=O)c2ccc(OC)c(S(=O)(=O)N(C)Cc3ccccc3)c2)C1 1645270982 UZDICTPWSOHZPF-NRFANRHFSA-N 455.580 2.343 30 10 JEEE C#CCN(CC(=O)OC(C)(C)C)C(=O)N[C@@H]1CC2(CN(C(=O)OC(C)(C)C)C2)n2ccnc21 1687742252 GIHHITUSNGTAGK-MRXNPFEDSA-N 459.547 2.260 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCN(CC)S(C)(=O)=O 1689866424 CDASDGCTIFARFB-MSOLQXFVSA-N 482.651 2.480 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2CCCN2CCCO[C@H](C)C2)CC1 1690133656 OVRGVWKGLXDZLJ-OAQYLSRUSA-N 470.593 2.252 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2CCNC(=O)OC(C)(C)C)CC1 1690139433 LXFVKJPCILSAGV-UHFFFAOYSA-N 482.585 2.444 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2csc(COC)n2)CC1 1690146560 QPMONKZTPZDJOF-SFHVURJKSA-N 458.588 2.137 30 10 JEEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@@H]2CCCO2)CC1 1690228821 GPKPXSIYOXWIOK-HOTGVXAUSA-N 459.410 2.484 30 10 JEEE C=C(Cn1c(Cc2ccccn2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1)c1ccccc1 1690324027 GINWTMDQLXVTDF-IBGZPJMESA-N 452.584 2.447 30 10 JEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCn2c(O)nc3ccccc32)CC1 1690396490 DDVYAYDREAORLE-HNNXBMFYSA-N 459.576 2.046 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1690433121 SFLMAJUIKFHZTO-SJORKVTESA-N 458.650 2.186 30 10 JEEE C=CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCCS(=O)(=O)C1 1690611784 ZFZLYNTXJJCBLD-CQSZACIVSA-N 472.409 2.499 30 10 JEEE C=CCOc1ccc(Cn2c(-c3ccccn3)nnc2N2CCN(CC(=O)N(C)C)CC2)cc1 1690678974 GZEJIQBXMGEFNA-UHFFFAOYSA-N 461.570 2.163 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCC[C@H](N2CCCC2=O)C1 1690720618 NQXDULVKKOGGSI-SFHVURJKSA-N 473.599 2.146 30 10 JEEE CC(C)(C)NC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCSC2)CC1 1691215757 BJMWNJUZPCQNRX-XMMPIXPASA-N 499.641 2.227 30 10 JEEE CCS(=O)(=O)N(C)CCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@@H](C)CC#N 1696487922 GKYCJMPJAQOPCA-ZDUSSCGKSA-N 472.413 2.446 30 10 JEEE CO[C@@H]1COCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CCC(N)=O)CC1 1697702258 CUIWQWDRMIOSNS-RBBKRZOGSA-N 482.585 2.262 30 10 JEEE N#CC1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CC(=O)NCC(F)(F)F)CC1 1698489980 FZJYOVQKYBBVEC-MRXNPFEDSA-N 450.421 2.209 30 10 JEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C(C)=O)cc2F)CC1 1705509653 IMUZAOCBSKWPNH-KRWDZBQOSA-N 490.605 2.360 30 10 JEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1705526417 FVGAMVSAHWSXIC-UHFFFAOYSA-N 475.578 2.355 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1Cc1cccc(CS(C)(=O)=O)c1)[C@@H]1CCS(=O)(=O)C1 1705562018 XMZWKHXRZLKELJ-YLJYHZDGSA-N 478.640 2.011 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@@]1(C)CCCO1)[C@@H]1CCS(=O)(=O)C1 1705567997 FFJWVLPQAZLSNH-VGOFRKELSA-N 462.547 2.192 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1Cc1cccnc1OCC)[C@@H]1CCS(=O)(=O)C1 1705569891 IBSSQVHXHDYYBN-OAQYLSRUSA-N 495.605 2.346 30 10 JEEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1nc2cc(Cl)ccc2s1 1705573288 DIBSTXVHXZBXSV-ZDUSSCGKSA-N 462.988 2.273 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCOC[C@@H]1C 1705583058 PJOFQRWJKQPXAR-UFYCRDLUSA-N 457.575 2.332 30 10 JEEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1705601518 MDBNAQJPFQZNIS-DVECYGJZSA-N 467.595 2.461 30 10 JEEE C#CCN(CC)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CCC(=O)N1CCOCC1 1705609363 ACPSTGIEEXHMDP-UHFFFAOYSA-N 455.559 2.449 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2CCNc2nccc(C(F)(F)F)n2)CC1 1705639457 OSMYEQAJCDFNHJ-MRXNPFEDSA-N 464.496 2.196 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2CC2CCN(CCN(C)C)CC2)CC1 1705641033 NTVPCJJHSXVJOE-UHFFFAOYSA-N 467.637 2.037 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2cc(Cl)c(OC)c(OC)c2)CC1 1705649408 WUZYCTUNYGEPBI-UHFFFAOYSA-N 497.987 2.363 30 10 JEEE C=C(C)COCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1705736712 AJXFFAHVHZDHCU-WIYYLYMNSA-N 491.614 2.149 30 10 JEEE C=CCNC(=O)Cn1c(N2CCCN(Cc3ccc(F)cc3)CC2)nnc1[C@@]1(OCC)CCOC1 1705908600 DZATXSIMLAYPPC-RUZDIDTESA-N 486.592 2.084 30 10 JEEE CC(C)NC(=O)c1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1C[C@H](C)CN1CCOCC1 1706820291 CQXRVHRRNYSJFR-LJQANCHMSA-N 465.602 2.425 30 10 JEEE CCOCc1nnc(N2CCCN(c3ccccc3C#N)CC2)n1C[C@H](C)N1CCN(CC)CC1 1710721491 CVSSGUKYOFOVGJ-QFIPXVFZSA-N 480.661 2.429 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@H](C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 1722361799 PIOKBSIHJUIWRW-QUCCMNQESA-N 456.616 2.007 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1CC1([S@@](C)=O)CCC1 1722420419 JGGSVEUDRVPZHH-MUUNZHRXSA-N 468.421 2.433 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCS1 1722423193 XUCPOOIPENMLMC-UXHICEINSA-N 493.630 2.286 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(CC)(CC)SC)CC1 1722448312 XVNVBGPRLXVJCZ-SFHVURJKSA-N 481.688 2.068 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1Cc1cccs1 1722523208 HBPJVVIWSHIPBB-WMZOPIPTSA-N 451.618 2.460 30 10 JEEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1csc(C)n1 1722536988 JXCMNLHDXIZQGR-RTBURBONSA-N 496.659 2.310 30 10 JEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](C)CNC(=O)OC(C)(C)C)CC1 1722574932 TYLMRIFITWRDIX-JKSUJKDBSA-N 470.640 2.452 30 10 JEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cc(F)cc(F)c2)CC1 1722630219 XIUBZLMRNMVMIH-QGZVFWFLSA-N 481.569 2.378 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(S(C)(=O)=O)CCC1 1722659990 JKZXMSVGDXVPGB-GOSISDBHSA-N 496.630 2.479 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(Cc2cc(C)no2)CC1 1722688891 NWZBLOHZUWFXQK-SFHVURJKSA-N 483.548 2.478 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C2CCC(C)CC2)CC1 1722692472 NJOAQLSHSVPBED-UHFFFAOYSA-N 459.639 2.199 30 10 JEEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC[C@@H](n2cncn2)C1 1722698367 FETIZCNIKWCUFD-LJQANCHMSA-N 499.620 2.128 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCC(CN2CCOCC2)CC1 1722699204 DKVJYIBISLCUPH-UHFFFAOYSA-N 452.603 2.028 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(Cc2cc(C)no2)CC1 1722705974 KRGFAGWBFGIVLA-UHFFFAOYSA-N 479.585 2.395 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Br)cc2)nnc1N(C)[C@H](C)CC(N)=O 1722751831 WMIPYYVJYPFHSI-CYBMUJFWSA-N 470.393 2.009 30 10 JEEE CC[C@@H](C)[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C#N)cn2)CC1)OC 1726839747 HVYCIISJIBQEFF-MJGOQNOKSA-N 454.579 2.071 30 10 JEEE COC(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CN(CC(C)C)CCO2)C1 1729777543 DTJQPCZLSROVAM-IRLDBZIGSA-N 482.585 2.085 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCOC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1740618243 FPSBPZVIADVBOA-OAHLLOKOSA-N 484.420 2.478 30 10 JEEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 1740619753 RDRXJDNODHUMHY-UYAOXDASSA-N 488.635 2.332 30 10 JEEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1C[C@@H](c1cccs1)N1CCOCC1 1740642160 RYOSRBBCAPAHDU-NRFANRHFSA-N 463.611 2.348 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H](C)CNC(=O)OC(C)(C)C)CC1 1740688136 ATCFMNCELVOKDO-GOSISDBHSA-N 475.638 2.113 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@](C)(O)C2CCCCC2)CC1 1740692901 RAVXFLVDSQKITC-LOSJGSFVSA-N 459.635 2.405 30 10 JEEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CN2CCOCC2)CC1 1740863540 ALDFJGKNAPTRJS-FQEVSTJZSA-N 451.637 2.085 30 10 JEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ncc(CC)s1)C1CC1 1740909883 CAPKIWSSVODOED-QGZVFWFLSA-N 466.633 2.027 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc(-c2noc3c2COCC3)n1CCS(=O)(=O)N(C)C 1740917914 BKVXVDPYZVMBQE-UHFFFAOYSA-N 472.571 2.090 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1740990217 MMYWVCQSMDTHQS-UHFFFAOYSA-N 476.603 2.164 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1CC1([S@@](C)=O)CCC1 1741912999 DHLVWPPXAGCGOR-HEJPQYQCSA-N 490.655 2.230 30 10 JEEE CCC[C@H](C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1745196615 GWSFCGFKKKICHD-UGKGYDQZSA-N 493.612 2.197 30 10 JEEE CN(CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCO[C@H](C#N)C1)C(=O)OC(C)(C)C 1747948427 AMTOVKYGTQUNPG-QGZVFWFLSA-N 470.530 2.312 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(CN2CCOCC2)c1 1748638814 WZDBIGLALFKJPH-IBGZPJMESA-N 459.554 2.264 30 10 JEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C(=O)N(C)c2ccccc2)C1 1748752039 QUKJXJQOVSSIQY-RBUKOAKNSA-N 455.584 2.083 30 10 JEEE C#CCCCn1c(CCc2ccc(OC)cc2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1748758165 ULCUSZUNZCJDLB-UHFFFAOYSA-N 473.581 2.306 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCN(CCC)C2)CC1 1749019487 WBGZDBGEQONPBE-JOCHJYFZSA-N 489.624 2.426 30 10 JEEE C#CCSCCn1c(COc2ccc(Br)cc2)nnc1N1CC[C@H](C(N)=O)C1 1749046883 JCCYVRKCPMHXQI-AWEZNQCLSA-N 464.389 2.298 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCNC(=O)C1 1749130324 KQLYIRGTQIWSLL-ICSRJNTNSA-N 474.606 2.310 30 10 JEEE C=C(C)COCCn1c(-c2ccccc2F)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1749221184 ZQCBVOMLYVDBTK-INIZCTEOSA-N 454.510 2.209 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCN(C)c2ccccc2)CC1 1749304167 WLTIIHXGBSQVTQ-OAQYLSRUSA-N 474.631 2.294 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2(OC)CCCCC2)CC1 1749342881 RADZEDFOFJHZKX-LJQANCHMSA-N 467.636 2.363 30 10 JEEE C=CCCCn1c([C@H]2CCCO2)nnc1N1C[C@@H]2[C@H](C1)[C@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1749450576 MHIXYMNZRDNRKA-BRSBDYLESA-N 481.619 2.222 30 10 JEEE CS(=O)(=O)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CC[C@@H](F)C2)CC1 1750208072 FJSSOKRZLFTLJC-RBUKOAKNSA-N 476.578 2.339 30 10 JEEE C[C@](O)(Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C#N)C1)c1ccco1 1751237028 BBYXMHXTNDVDEB-JTSKRJEESA-N 470.917 2.091 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)N(C)C2CC2)c1 1760126830 JUOSXBWGSKXEKK-SFHVURJKSA-N 486.580 2.464 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2CCCN2CCCCC2=O)c1 1760128881 VIKHZCMLHVEQBS-HXUWFJFHSA-N 464.570 2.241 30 10 JEEE C#CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1760131348 ZXEXBUBLRNAPOX-UHFFFAOYSA-N 476.423 2.486 30 10 JEEE C#CCCCCn1c(COc2ccc(F)cc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1760141832 JEVDVNZHAJNYLP-UHFFFAOYSA-N 454.506 2.320 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1Cc1cnccc1OC)[C@@H]1CCS(=O)(=O)C1 1760180485 GIDHGOYRLQIUGK-LJQANCHMSA-N 467.551 2.032 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1nnc2n1CCCCC2 1760194101 ZISNDANMPOVJKK-UHFFFAOYSA-N 476.972 2.301 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCCN1c1cnn(C)c1 1760226341 CLNZVIPYFBECOF-HXUWFJFHSA-N 496.641 2.057 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCN(CC)C1 1760240626 XGDLEYWIPKIKNR-IEBWSBKVSA-N 462.595 2.009 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2Cc2ccc(OC)c(OC)c2OC)CC1 1760262598 SDFXTRXUDXKWDT-UHFFFAOYSA-N 462.554 2.093 30 10 JEEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](OCCOC)C1 1760346437 ZRUBEDWBTINEMQ-QZTJIDSGSA-N 451.568 2.404 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2csc(COC)n2)C1 1760535891 ZAHYABKHFUFXHL-INIZCTEOSA-N 455.544 2.358 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(Cc1ccc(F)cc1F)C1CC1 1760553696 GOFWSNHLPHFYNK-GOSISDBHSA-N 465.526 2.277 30 10 JEEE CC1(C)CCCN(CCn2c(-c3cccc(C#N)c3)nnc2N2CCC(OCC(N)=O)CC2)C1 1761557037 CQDOXJUNSXGNRI-UHFFFAOYSA-N 465.602 2.409 30 10 JEEE CCC[C@H](C)C(=O)NCCn1c(-c2cccnc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1765475696 IFSUKWURMXTXMD-RBUKOAKNSA-N 488.600 2.269 30 10 JEEE COc1cc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCC(=O)NC2CC2)cc(OC)c1OC 1769816592 BILBOJHLCDXWQE-HSZRJFAPSA-N 472.521 2.472 30 10 JEEE C#CCOC(=O)NS(=O)(=O)c1ccc(CNC(=O)c2ccc(I)cc2)cc1 1858964907 YUMFCADEPJPXCA-UHFFFAOYSA-N 498.298 2.269 30 10 JEEE O=C(NC[C@@H]1CCCO1)[C@H](Cc1c[nH]c2ccccc12)N=C1NS(=O)(=O)c2ccccc21 1869932187 WNXTVWJBDNJHBQ-JXFKEZNVSA-N 452.536 2.113 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)Nc2cc(OC)ccc2OC)cn1CCCO 1870738145 WWDNVOYXVAYDNO-UHFFFAOYSA-N 471.554 2.439 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)Nc2ccccc2C(=O)OC)cn1CCN(C)C 1870740668 MDCVIKMTQABYGT-UHFFFAOYSA-N 482.581 2.388 30 10 JEEE C=CCn1c(C(=O)NC[C@@H](O)c2ccc(Cl)cc2)cc2c(N3CCN(C)CC3)ncnc21 1873595199 SGFSZTOHUGIKFA-HXUWFJFHSA-N 454.962 2.486 30 10 JEEE C=CCn1c(C(=O)Nc2cccc(Br)c2)cc2c(N(CCO)CCO)ncnc21 1873646227 JSSSNMLNGAXXPG-UHFFFAOYSA-N 460.332 2.423 30 10 JEEE CC(=O)NCc1nnc(SCC(=O)Nc2nccs2)n1/N=C/c1ccc(N(C)C)cc1 1874433123 FJGSTCICUPDCBD-LSHDLFTRSA-N 458.573 2.050 30 10 JEEE CC(=O)NCc1nnc(SCC(=O)NC2CCCCC2)n1/N=C/c1cccc([N+](=O)[O-])c1 1874433975 HFLHXWXAJJMYPJ-SSDVNMTOSA-N 459.532 2.246 30 10 JEEE C=CCn1c(C(=O)N2CCN(c3ncccn3)CC2)cc2c(NCCCCCCO)ncnc21 1875232741 WRUOBOHEGSKBID-UHFFFAOYSA-N 464.574 2.334 30 10 JEEE Cc1cc(N2CCOCC2)nc(CNC(=O)[C@H]2SCC(=O)N(C(C)C)[C@H]2c2ccc(C#N)cc2)n1 1889434739 AUISVIFKAURCLQ-ZEQRLZLVSA-N 494.621 2.203 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](O)CN1C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C 2067385757 QHDUHORGZMZDED-ZACQAIPSSA-N 454.568 2.450 30 10 JEEE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@@H](CNS(=O)(=O)c2cncc(C#N)c2)C1 2140608506 ZKUXCKGPBZXMIA-FQEVSTJZSA-N 471.583 2.353 30 10 JEEE C[C@H](CNC(=O)OC(C)(C)C)CNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2247881474 YRVCUUOJVTWXOR-CYBMUJFWSA-N 460.427 2.486 30 10 JEEE CC1(C)OB(c2cscc2S(=O)(=O)NC2[C@@H]3CN(Cc4ccccc4)C[C@@H]23)OC1(C)C 2255795635 WQMSRBSSYJNUNG-IAGOWNOFSA-N 460.430 2.456 30 10 JEEE Cc1sc(C(=O)NC[C@@H](O)CNC(=O)OC(C)(C)C)c(C)c1B1OC(C)(C)C(C)(C)O1 2255857894 LRBQHNKWAJZAQG-CQSZACIVSA-N 454.398 2.280 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NCC23COC(CNC(=O)OC(C)(C)C)(C2)C3)C1 2266488072 RARHSGYZSXIGKT-UHFFFAOYSA-N 463.575 2.483 30 10 JEEE CC(C)CN(CCNC(=O)OC(C)(C)C)C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2267120078 FFCZCTRZVOXLFQ-UHFFFAOYSA-N 450.389 2.342 30 10 JEEE Cn1nc(C(=O)N2CC3(CN(Cc4ccccc4)C3)C2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2267501443 YFJQYBBBBHQEDY-UHFFFAOYSA-N 456.783 2.331 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2268630798 PCMXUHKSXKNCQR-OAHLLOKOSA-N 451.304 2.094 30 10 JEEE CO[C@H]1C[C@](NC(=O)OC(C)(C)C)(C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C1 2268722741 HBWRBJHXJPBLEA-IPVJXJPOSA-N 467.397 2.131 30 10 JEEE CC1(C)OB(c2ccsc2S(=O)(=O)N2CCC[C@@H](NC(=O)C(F)(F)F)CC2)OC1(C)C 2270597994 ZSHNZPDUQBQXRR-GFCCVEGCSA-N 482.355 2.269 30 10 JEEE COC(=O)[C@@]1(Oc2nccc(B3OC(C)(C)C(C)(C)O3)c2F)CCN(C(=O)OC(C)(C)C)C1 2280703934 WNGHKVRVUKLOCQ-JOCHJYFZSA-N 466.315 2.451 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1COC[C@H]1NC(=O)c1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2281784234 WAIWMCGCRJHOCS-RDTXWAMCSA-N 464.343 2.394 30 10 JEEE C[C@@H]1C[C@@H](CNC(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2281809609 WBTMVKSACUUKTK-CVEARBPZSA-N 462.400 2.342 30 10 JEEE Cn1cc(C(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccco2)c(B2OC(C)(C)C(C)(C)O2)n1 2281973449 ASLWCTJHJFPKEY-HNNXBMFYSA-N 460.340 2.308 30 10 JEEE C[C@H](NC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1)C1CCN(C(=O)OC(C)(C)C)CC1 2281975436 MWVNSBGESIHRGY-HNNXBMFYSA-N 462.400 2.485 30 10 JEEE Cn1cc(C(=O)N[C@@H]2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)nc1B1OC(C)(C)C(C)(C)O1 2282033118 PBBPUZBQXKTSOP-BZUAXINKSA-N 460.384 2.095 30 10 JEEE CCc1nn(C)c(C(=O)NC[C@H]2C[C@@H]2CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2282561182 QOJYAKKTVGCPBD-HUUCEWRRSA-N 462.400 2.172 30 10 JEEE Cc1cc(C(=O)N[C@@]2(CO)CCCN(C(=O)OC(C)(C)C)C2)oc1B1OC(C)(C)C(C)(C)O1 2282581129 CXGVACZKLIPVEX-QHCPKHFHSA-N 464.368 2.379 30 10 JEEE Cn1cc(C(=O)NC[C@@]23CC[C@@H]2CN(C(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)n1 2282585232 JIQDPALEFCXICX-IQMFZBJNSA-N 460.384 2.096 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)n1 2282595741 YFYCIRMHCOOUQB-WBVHZDCISA-N 460.384 2.284 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCCC[C@@H]1NS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282829618 HMJIQQKCQQTCFE-ROUUACIJSA-N 481.424 2.495 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N[C@H]1COCCN(C(=O)OC(C)(C)C)C1 2285206971 ZSFITJFRFYQGAI-QGZVFWFLSA-N 461.368 2.055 30 10 JEEE COc1ccc(C(O)=C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(C)o2)cc1OC 2296103192 UWCSZXCRMMPZKK-OAQYLSRUSA-N 456.495 2.359 30 10 JEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](NC(=O)OC(C)(C)C)CC[C@H]1C(=O)O 2310729517 DRHFQBAPDSDXKP-OAGGEKHMSA-N 453.536 2.262 30 10 JEEE COc1ccc(OCc2nnc(SCC(N)=O)n2N=Cc2cc(OC)ccc2OC)cc1 2328371710 GFZQMLCUSLZHRH-UHFFFAOYSA-N 457.512 2.343 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@H](C[C@H]2C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2359391169 MEGNJDNFOWBPFG-RBSFLKMASA-N 478.424 2.481 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H](C)CC2CN(C(=O)OC(C)(C)C)C2)n1C 2362482419 FFIXVVAHQNATHQ-CQSZACIVSA-N 462.400 2.403 30 10 JEEE CC(C)(C)OC(=O)N1CC([C@H]2C(=O)NCCN2C(=O)C2(B3OC(C)(C)C(C)(C)O3)CCC2)C1 2379814796 ZZOLRUFRFIXYIC-INIZCTEOSA-N 463.384 2.197 30 10 JEEE BrC(/C=C/c1ccccc1)=N\Nc1nc(N2CCOCC2)nc(N2CCOCC2)n1 655617 QEJRAQJWLWLEOF-NVNIIJODSA-N 474.363 2.379 30 10 JEEE CC(C)Sc1nnc(NC(=O)CSc2nnc(N/N=C/c3cnn(C(C)C)c3)n2N)s1 20921771 NCPVNVMXENFXOR-BLLMUTORSA-N 481.637 2.298 30 10 JEEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc3ncccc3c2)c(=O)n1-c1ccccc1C#N 604001395 OAGBJICBBWAFLE-UHFFFAOYSA-N 463.522 2.124 30 10 JEEE C[C@H](c1cccc(NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1)N1CCOCC1 609209983 WRAGRAGQFUDQSD-LJQANCHMSA-N 483.594 2.490 30 10 JEEE O=C(CSc1n[nH]c(NN=Cc2cc([N+](=O)[O-])ccc2O)n1)Nc1ccc2c(c1)OCO2 1084636074 GTNPJEIQLXACMJ-UHFFFAOYSA-N 457.428 2.324 30 10 JEEE C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@H](CO)Cc2ccc(C(F)(F)F)cc2)cc1 1150262414 PTUPCQIRUBHCOM-MRXNPFEDSA-N 454.470 2.198 30 10 JEEE C=CC[C@@H](NS(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1OC)C(=O)OCC 1189088323 MQZKJUYOWDWYAS-LLVKDONJSA-N 451.295 2.460 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1(S(C)(=O)=O)CCCC1 1286289419 LGQILMUGMROAAC-KRWDZBQOSA-N 482.610 2.490 30 10 JEEE C#CCCCCn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1286316554 WJUPRRDKEVWGIT-UHFFFAOYSA-N 452.559 2.331 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1Cc1ccccc1CN1CC[C@H](O)C1 1286411529 XKZOPDLWMPMJEP-QHCPKHFHSA-N 460.607 2.322 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(=C)Cl 1286458064 JDGMBABRYCXDJB-SFHVURJKSA-N 467.954 2.142 30 10 JEEE C#CCN1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CC(C)(C)COCC)CC1 1286479905 PVXLILLDBSRPPS-UHFFFAOYSA-N 477.613 2.493 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCN(C)CCOC)CC1 1286487223 LRBNOAAKRVSMJT-UHFFFAOYSA-N 476.984 2.282 30 10 JEEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1286542863 DEOPCEIETNRRPA-QMTMVMCOSA-N 454.369 2.082 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCN(CCC)C(=O)C1 1286563263 OQZXHQOAGAQCDX-KIZRIRGWSA-N 461.607 2.432 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2noc3c2COCC3)n1Cc1cccc(S(=O)(=O)NC)c1 1286573874 RAYHIMYQTTVBJM-UHFFFAOYSA-N 472.571 2.365 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C(C)(C)O)cc1 1286581530 LGSRDCGXHVOBKH-FQEVSTJZSA-N 477.631 2.289 30 10 JEEE C=C(C)COCCn1c(COc2ccccc2F)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1286613038 OEACOIOEBKDFNF-NRFANRHFSA-N 473.549 2.417 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ccc(N(C)C)cc2)CC1 1286664498 XVFKJJDENXBNBX-QFIPXVFZSA-N 488.658 2.322 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCCCO2)n1CC1(O)CCS(=O)(=O)CC1 1286763988 BJQUAMSYVZSUHI-IBGZPJMESA-N 464.588 2.288 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1CC(F)C1 1286799436 VDCCFNWMANPNSR-CNBHCMJISA-N 493.605 2.408 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc(COc2ccc(Br)cc2)n1C[C@]1(O)CCN(C)C1 1286969314 FTLLNPUVPARKCH-YWZLYKJASA-N 463.380 2.282 30 10 JEEE CN(C)c1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(N(C)S(C)(=O)=O)CC2)cn1 1298052949 GXQOJLAHFJYFNK-UHFFFAOYSA-N 494.625 2.186 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(CC)CC)n2Cc2ccn(C)n2)c1 1300331799 QKGGYWRTHCVDSF-UHFFFAOYSA-N 462.558 2.035 30 10 JEEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1300382591 WTDLWICUIRUXNS-FPOVZHCZSA-N 469.590 2.239 30 10 JEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 1300408823 CODUXGBMPWMXPF-QGZVFWFLSA-N 491.017 2.497 30 10 JEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1C[C@@H]1CCCN(C(C)=O)C1)[C@@H]1CCS(=O)(=O)C1 1300482467 GEVOSWCNZXYFPM-WIYYLYMNSA-N 490.029 2.484 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1CC(=C)Br)[C@@H]1CCS(=O)(=O)C1 1300499439 RUUNWENTBWAASU-QGZVFWFLSA-N 479.400 2.413 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCC[C@H]1OC 1300539109 YHPRAEWMLKNEHO-SLFFLAALSA-N 457.575 2.474 30 10 JEEE C#CCSCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN(C)C(=O)[C@@H]1C 1300762091 NLJLBLIHVRYKRS-KRWDZBQOSA-N 476.647 2.426 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(OC)c(OC)c1 1300805877 JZZXNROMJIABPH-FDDCHVKYSA-N 458.584 2.432 30 10 JEEE C=C(C)COCCn1c(Cc2ccccc2F)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1300994439 TUMGTPBDUZSBNG-NRFANRHFSA-N 470.549 2.367 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ccc(OC)c(F)c2)CC1 1301087172 WQKZREURJALMSJ-HXUWFJFHSA-N 479.578 2.158 30 10 JEEE C=CCS(=O)(=O)CCn1c(CSc2ccc(C)cc2)nnc1N1CCC(S(C)(=O)=O)CC1 1301593239 KNXWPYJIPFUNRX-UHFFFAOYSA-N 498.696 2.493 30 10 JEEE C=CCSCCn1c(N2CCN(c3cnn(C)c3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1301624128 SIGFNKJQXNZJFR-QFIPXVFZSA-N 461.636 2.298 30 10 JEEE CCn1cccc(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)C[C@H]2CCN(C(C)=O)C2)c1=O 1313847028 DRAWCKCALTUKAN-HXUWFJFHSA-N 459.554 2.351 30 10 JEEE CCN1CCN(C[C@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCOC[C@H]2C)CC1 1313954127 AQLOPXUAMXHZIG-LEWJYISDSA-N 467.618 2.227 30 10 JEEE CN(C)CC(C)(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@](F)(C#N)C1 1314667246 FLGBSFRDVISJTB-NRFANRHFSA-N 462.599 2.268 30 10 JEEE COc1cc(-c2nnc(N(C)[C@@H](C)CC#N)n2C[C@H](C)N2CCOCC2)cc(OC)c1OC 1315290654 FJUCCVZPTIILPI-IRXDYDNUSA-N 458.563 2.430 30 10 JEEE COc1ccccc1OCc1nnc(N2CCC[C@@](C)(C#N)C2)n1CCN1CCCS1(=O)=O 1315653835 BERFPLKBYWQBBR-QFIPXVFZSA-N 474.587 2.031 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H](C(C)C)N1CCOCC1 1358885934 UNFBAODENHFXMV-RXVVDRJESA-N 463.586 2.007 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@@](C)(OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1358959410 IKUPDWKNUZQANW-FDDCHVKYSA-N 458.584 2.396 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CCCN1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1358964640 CRKUJDKNVOXQMS-JOCHJYFZSA-N 470.643 2.013 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccc(OC)cc2)n1Cc1cccnc1N1CCOCC1 1358983195 YWMRMTMCKYTRBC-UHFFFAOYSA-N 472.549 2.218 30 10 JEEE C#CCN(CC#CC)c1nnc(CSc2ccccc2OC)n1C[C@@H]1CCS(=O)(=O)C1 1358998481 GTUKKVSHQKRKAD-SFHVURJKSA-N 458.609 2.477 30 10 JEEE C#CCN1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCCNC(=O)C(C)C)CC1 1359034305 LGFXVKMCCIKTHJ-UHFFFAOYSA-N 460.586 2.048 30 10 JEEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)NCc2ccc(F)cc2)CC1 1359117232 OJSVJAYTVGZKCG-INIZCTEOSA-N 478.594 2.136 30 10 JEEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1359135301 YVOSCISJVKIJAH-GCJKJVERSA-N 487.674 2.215 30 10 JEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1359135981 VDISTVIZXNHGNS-ROUUACIJSA-N 462.595 2.343 30 10 JEEE CC(C)(C)[S@](=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@H](C#N)C1 1359588026 HKLAYZHIGRSYLK-PFUSGODGSA-N 455.382 2.312 30 10 JEEE C[C@H]1CN(CCN(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)N2CCOCC2)C[C@@H](C)O1 1360540231 DWQHQFIJBDSFSV-NJYVYQBISA-N 467.618 2.083 30 10 JEEE C#CCNS(=O)(=O)c1cccc(C(=O)NCC2(N[C@@H](C)c3ccccc3)CCOCC2)c1 1465088647 HUTLFGHDRFLRHG-IBGZPJMESA-N 455.580 2.228 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CC[C@@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1507629118 RIJQACSHRIZHEW-RTBURBONSA-N 464.975 2.031 30 10 JEEE C#CCN(c1nnc(-c2cn(C)c3ccccc23)n1C[C@H](C)COC)[C@H]1CCS(=O)(=O)C1 1507632136 XKDVLOZCLQFXSD-ROUUACIJSA-N 455.584 2.346 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1C[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1507639187 JSGLFHXAFXPVRS-WOJBJXKFSA-N 458.584 2.137 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1Cc1nnc(CC)s1)[C@H]1CCS(=O)(=O)C1 1507639466 KMFYOOZKNIJZEE-KRWDZBQOSA-N 486.623 2.254 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC(=O)NC1CCCCC1 1507648903 VIKZXCKBNLTXNB-UHFFFAOYSA-N 471.565 2.197 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1CCS(=O)(=O)C(C)(C)C 1507702633 LIPXGFYYQSOGJP-UHFFFAOYSA-N 475.590 2.393 30 10 JEEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCO[C@H]1C(=C)C 1507709952 GUJJBBUZHPJKCT-ICSRJNTNSA-N 472.615 2.305 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)Cc2cccs2)CC1 1507732690 JINVZUFZVBSDGV-SFHVURJKSA-N 468.627 2.420 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC[C@H]2COCCO2)CC1 1507742835 RQGOJHGFNNWCEA-NRFANRHFSA-N 471.989 2.294 30 10 JEEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2ccc(OCC)cc2)CC1 1507832229 UGEZVJCCLOPBOG-HXUWFJFHSA-N 459.616 2.477 30 10 JEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 1507835776 LVAFFENTRMOXSN-SFHVURJKSA-N 471.558 2.178 30 10 JEEE C=C(Cl)Cn1c(N2CCO[C@@H](Cn3cc(C)cn3)C2)nnc1[C@]1(OC(C)C)CCOC1 1507873143 JRVWIWCLJHSGRJ-NQIIRXRSSA-N 450.971 2.482 30 10 JEEE C=CCCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1507926857 VGLXFZBULFWTGM-SJLPKXTDSA-N 456.522 2.061 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1CN1CCC(O)CC1 1508018944 JNHCRGYKSXUCLX-JOCHJYFZSA-N 485.654 2.364 30 10 JEEE CN(CCn1c(-c2cccc(C#N)c2)nnc1N(C)CCN1CCOCC1)CC(F)(F)F 1517310912 FAXRDSBBAHVOSM-UHFFFAOYSA-N 451.497 2.079 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2CCn2cc(Cl)cn2)c1 1539046352 RXDOAVNMWUYTSP-UHFFFAOYSA-N 480.960 2.007 30 10 JEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(F)(F)C1(OC)CCOCC1 1539155976 ZQJQPWDZNWHIOU-UHFFFAOYSA-N 497.568 2.096 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@@H]1CCCN(C(C)=O)C1)[C@@H]1CCS(=O)(=O)C1 1539210934 IHPLYKIBALWLBK-NHCUHLMSSA-N 469.611 2.139 30 10 JEEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@H](C)c1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 1539229825 IQNVIHIZOPTXOO-FPOVZHCZSA-N 469.611 2.139 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@H]1CCCCS1(=O)=O 1539362046 NHHRFJCMMMDNME-GOSISDBHSA-N 482.610 2.492 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2Cc2cnn(CC)c2)CC1 1539469722 DXZZMHPNEOWYQP-UHFFFAOYSA-N 477.569 2.193 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC(CC(=O)N(C)C)CC1 1539642259 IGGAGHOLZZLWGU-WMZHIEFXSA-N 458.607 2.076 30 10 JEEE C=C(C)Cn1c(-c2ccccc2OC)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1539696584 COUIPQXYTJMMSD-UHFFFAOYSA-N 458.544 2.170 30 10 JEEE C#CCNC(=O)C1CCN(C(=O)[C@@](C)(NC(=O)OC(C)(C)C)c2cccc([N+](=O)[O-])c2)CC1 1539703014 UQFCXJPPLYLQHA-QHCPKHFHSA-N 458.515 2.323 30 10 JEEE C=CCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1539983014 UKULOEPGEWUZGQ-WBVHZDCISA-N 458.950 2.185 30 10 JEEE C[C@H]1CCCN(c2cc(C(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)ccn2)C1 1540728346 CWQYUNYFVMTUFI-SFHVURJKSA-N 453.568 2.336 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1540865892 VTZQJNDOJMQQDE-AWEZNQCLSA-N 476.404 2.248 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]1c1ccc(OCC)cc1 1540871655 QFJQRKPZAFXCLQ-ICSRJNTNSA-N 473.599 2.223 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCN(c2ccnc(C)n2)CC1 1540904579 NZYLKCVBBJAPRP-UHFFFAOYSA-N 485.589 2.034 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCN(CCN3[C@@H](C)CC[C@@H]3C)CC2)nnc1C(C)(C)C 1540908512 IHNNOBXORDBDCQ-PMACEKPBSA-N 466.696 2.171 30 10 JEEE C#CCN(CC(=O)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1)C(=O)OC(C)(C)C 1542449386 JCSUHXIJKVGWPC-OAQYLSRUSA-N 455.603 2.313 30 10 JEEE Cc1ccc(SCCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@H](C)C#N)cc1 1542515807 HHNDNNKOTBPVIS-IEBWSBKVSA-N 478.644 2.308 30 10 JEEE Cc1nccn1CCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C#N)C1 1542973923 DRDFRRVFFXAPFZ-IBGZPJMESA-N 468.949 2.186 30 10 JEEE Cc1nn(C)c(C)c1CN(C)c1nnc(COc2ccc(C#N)cc2)n1CC(=O)NCC1CC1 1542993501 GLGDUBJFNARVPG-UHFFFAOYSA-N 462.558 2.242 30 10 JEEE CCN(CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCSC[C@H]1C)S(C)(=O)=O 1547574828 AONHNCVUMISKNB-QGZVFWFLSA-N 478.644 2.342 30 10 JEEE CCNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1547741632 BMAKJUMSGKXDRM-UHFFFAOYSA-N 486.580 2.336 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCCNC(=O)c1cccc(O)c1 1587568436 QCXGMRZEGDTDFH-UUOWRZLLSA-N 455.559 2.302 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1CCCc1nnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1588046163 YNNBNITWRLUNEJ-QGZVFWFLSA-N 486.623 2.373 30 10 JEEE C#CCN(c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCCC=C)[C@@H]1CCS(=O)(=O)C1 1588049363 FOOZMJABEXCXEE-GOSISDBHSA-N 480.594 2.175 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1CCc1nc(C)c(C)s1)[C@@H]1CCS(=O)(=O)C1 1588050689 UMBUYHOJBFYTFX-GOSISDBHSA-N 456.597 2.283 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1cnn(CC(C)C)c1C)[C@@H]1CCS(=O)(=O)C1 1588053344 CRQBBDHBJORUSQ-NHCUHLMSSA-N 474.631 2.356 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(OCC)cc1)[C@H]1CCS(=O)(=O)C1 1588073784 DXGRIALHWIVECD-ONTIZHBOSA-N 488.610 2.076 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@H]2CCOC[C@H]2OC)CC1 1588871529 GMFIUZRQKUXCGQ-JTHBVZDNSA-N 453.587 2.281 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)N[C@@H](C)c2ccccc2)CC1 1588923920 QJMVGYDPJUYJJN-UGKGYDQZSA-N 491.640 2.324 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2noc3c2COCC3)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 1589527801 AWQSIIJIFCXXNM-YRNRMSPPSA-N 479.603 2.246 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1593747584 ZTZMTHCJTSDSCE-SFHVURJKSA-N 488.589 2.110 30 10 JEEE C=C(C)COCCn1c(CC(C)C)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1593752145 DEWJGCOMFGAVTG-UHFFFAOYSA-N 468.649 2.345 30 10 JEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ccccc1C(C)C 1594962626 MXRHDSHGTULIGD-HXUWFJFHSA-N 463.604 2.436 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)CCc1ccc(Br)cc1 1595788723 HXMFSMONGNVQGS-KRWDZBQOSA-N 496.431 2.271 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](c2ccccc2)C1 1595824162 XORQXXFMOUIEIP-OAQYLSRUSA-N 470.599 2.318 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)c2cccc(Br)c2)[C@@H](C#N)C1 1630719436 ATPOHBMZLMCTSL-HNNXBMFYSA-N 451.321 2.150 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](CO)c2cccc(Br)c2)s1 1632546007 UABKZXHBOBPRDE-HNNXBMFYSA-N 459.387 2.367 30 10 JEEE CCOC(=O)[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1)[C@H](O)c1ccc(Cl)cc1 1641009940 DMGDXKFBRCBGHK-MAODMQOUSA-N 455.898 2.346 30 10 JEEE N#Cc1ccc(CN(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)C2CC2)cc1 1645015440 GLSOJZUNMJISLR-UHFFFAOYSA-N 454.552 2.182 30 10 JEEE Cc1cc(NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)nn1CC(F)(F)F 1672966284 GMCWQJFJAHIYTD-UHFFFAOYSA-N 456.450 2.164 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cccn(CC)c1=O 1689853637 WTJCTZCQNIUZPB-MJGOQNOKSA-N 470.574 2.274 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@]2(C)COCCO2)c1 1689868683 OHHIOLYBWPDQNY-IZZNHLLZSA-N 497.596 2.180 30 10 JEEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1689875067 JCWFOWMYTAIWRD-LJQANCHMSA-N 464.574 2.311 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1cccc(OC)c1 1689930456 RRWRWWSACKWKPV-RTWAWAEBSA-N 473.599 2.375 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H](C)Oc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1689992481 LFENGZUBAPNYIF-TZIWHRDSSA-N 495.605 2.367 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCc1cnn(C)c1 1690090844 AAPXZXNSEDVUDH-HXUWFJFHSA-N 470.574 2.325 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CC2(O)CCOCC2)CC1 1690112495 ZBGNFRRTTZJUCI-OAQYLSRUSA-N 453.587 2.332 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCCOc2cccc(OC)c2)CC1 1690143051 ZRZMXMNGZYDUTO-UHFFFAOYSA-N 477.569 2.122 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 1690174946 MRHAQFCPLFCZBT-LSDHHAIUSA-N 466.551 2.094 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCN(CC)[C@H](C)C1 1690727178 WFYPBHACUAHKLD-GOSISDBHSA-N 456.616 2.481 30 10 JEEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCCN(C(=O)C2CC2)CC1 1705509077 CCYDSVQUPLJPKE-UHFFFAOYSA-N 498.653 2.448 30 10 JEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 1705532205 IRBWCVABPMLWHE-OALUTQOASA-N 470.599 2.152 30 10 JEEE C#CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CCCOC1 1705622307 DTZYPKXKOJUDKE-SFHVURJKSA-N 460.604 2.059 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCC[C@@H]2CCCCO2)CC1 1705633910 BOCRMHATTMOCDX-NRFANRHFSA-N 471.627 2.453 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2ccc(F)cc2)C1 1705662295 VNJYXTWBPKEMFX-MJGOQNOKSA-N 464.588 2.264 30 10 JEEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@](O)(c2ccc(C)cc2)C1 1705680423 AOAIUVHPJXPFAE-DNVCBOLYSA-N 484.420 2.203 30 10 JEEE C=C(Cn1c([C@@H]2CCOC2)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1)c1ccccc1 1705742775 FOVTXTDHKIFSRE-JOCHJYFZSA-N 489.642 2.372 30 10 JEEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1705888092 DZWGESYILJTMOP-UHFFFAOYSA-N 457.516 2.481 30 10 JEEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1705890386 MQXHBHQLBOTQOO-XMMPIXPASA-N 487.605 2.393 30 10 JEEE C=CCn1c(COc2ccccc2OCC)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1705893161 OHBZSNQANBLTRV-HXUWFJFHSA-N 454.531 2.208 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCC(=O)NC(C)C)C1 1705921935 CCNIPDPSBCRTBR-INIZCTEOSA-N 451.531 2.290 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)cc1OCC1CC1 1722296493 QOZRZNUPZIQRKZ-GCJKJVERSA-N 487.626 2.214 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1CCCN(C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1722360423 HGFBCULJZCSNMX-OAQYLSRUSA-N 466.611 2.437 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H](OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1722360891 COIUNIJTAJNROE-GHTZIAJQSA-N 474.583 2.014 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CCN1CCCC(C)(C)C1)[C@@H]1CCS(=O)(=O)C1 1722366045 OFNLURIQPDTWPM-OAQYLSRUSA-N 470.643 2.013 30 10 JEEE C#CCN(c1nnc(COc2ccc(Cl)cc2Cl)n1CCOC)[C@H]1CCS(=O)(=O)C1 1722371847 ZBGJXEBITVPXKS-HNNXBMFYSA-N 473.382 2.437 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H]2CCCN(CC(C)C)C2)CC1 1722432820 FYJCTNZICBJNLL-JYFHCDHNSA-N 472.678 2.442 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@H](OC)[C@H](C)CC)CC1 1722434245 ODGJYXRVCFRMFI-DENIHFKCSA-N 488.658 2.012 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@H]2CCN(CC(F)(F)F)C2)CC1 1722448425 BSVLNTHFORCCTJ-IBGZPJMESA-N 489.546 2.114 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC(NC(C)=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1722498755 DMFMOUMZFOOYCH-NHCICSSKSA-N 461.607 2.405 30 10 JEEE C=C(C)Cn1c(-c2noc3c2COCC3)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1722523038 WWMGEACPWQVIGJ-UHFFFAOYSA-N 454.453 2.477 30 10 JEEE C=C(C)Cn1c(Cc2csc(C)n2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1722526060 QBZLXEWTULUBFH-UHFFFAOYSA-N 456.576 2.267 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](O)(c2ccc(C)cc2)C1 1722537369 NGZWVPQJFJALEN-WMZHIEFXSA-N 460.600 2.179 30 10 JEEE C=CC[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(S(C)(=O)=O)CC1)c1ccccc1 1722594664 PNQYDIZDOPOOKU-VQTJNVASSA-N 472.615 2.061 30 10 JEEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1722625395 SSZLDUQOBGKXFI-UHFFFAOYSA-N 453.469 2.223 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H]1CCCCS1(=O)=O 1722681655 PHMQQVDCJXIGIT-PXNSSMCTSA-N 462.572 2.397 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H](COCC)C1 1722724337 UCEMFLDHFOMSGF-CQSZACIVSA-N 472.409 2.499 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N2CCOCC2)C1 1722990812 BSOZRGOGSYRTSY-LJQANCHMSA-N 495.584 2.027 30 10 JEEE COc1ccncc1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccccc2C#N)CC1 1730340697 HASGKSCDWCCLDP-UHFFFAOYSA-N 460.542 2.066 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1740670919 XBHIQTUVAFZMAM-OALUTQOASA-N 494.662 2.134 30 10 JEEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(N2CCOC2=O)cc1 1740687829 HVMFDIWAGUOSGQ-UHFFFAOYSA-N 463.542 2.231 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC[C@@H]2CCOC2)CC1 1740703126 HCIGABSTKPXXAQ-GOSISDBHSA-N 467.570 2.355 30 10 JEEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1cccc(C(=O)N(C)C)c1)C1CC1 1740910960 VDARXYGZYOBTSN-IBGZPJMESA-N 457.600 2.280 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2cccnc2)n1CC(=O)N1CCOCC1 1740916701 VQUKISMBFBIPOY-UHFFFAOYSA-N 457.538 2.187 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCCOC2)n1CCN1CCN(C(C)=O)CC1 1740937802 PHHGZINTHYHDRM-NRFANRHFSA-N 456.591 2.164 30 10 JEEE C=CCOc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@H]2CCSC2)cc1 1740967607 LOFBAQWLCBTQEW-AZUAARDMSA-N 493.655 2.166 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCNC(=O)[C@H]1CC 1740988731 NXMDGFWWPGETIL-MRXNPFEDSA-N 455.943 2.053 30 10 JEEE C#CCCCn1c(Cc2csc(C)n2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1748756216 XPMGTLLOAICBCD-UHFFFAOYSA-N 450.634 2.345 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CC(=O)Nc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1748809088 PUORGMXSRUVPPE-GOSISDBHSA-N 471.514 2.251 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1Cc1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1748809902 QKPUMPBNUYCYAX-QGZVFWFLSA-N 455.540 2.234 30 10 JEEE C#CCN1CCN(c2nnc(CCCc3ccccc3)n2C[C@@H]2CCCCS2(=O)=O)CC1 1748995014 WEQAPNZTKOECMO-QFIPXVFZSA-N 455.628 2.176 30 10 JEEE C#CCSCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCO[C@H](C(=O)NC)C1 1749026615 FGHMBGKNNUZMMV-NRFANRHFSA-N 481.578 2.435 30 10 JEEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1749032331 CQYFTOXDXKBXLV-SFHVURJKSA-N 460.629 2.019 30 10 JEEE C#CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCCN(CCC)C(=O)C1 1749033342 DSACUWMAVIPWQI-UHFFFAOYSA-N 465.583 2.409 30 10 JEEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1749234543 HFRGNYYJBATJAS-QGZVFWFLSA-N 469.512 2.237 30 10 JEEE C=CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(CCOC)[C@@H](C)C1 1749424411 IBQKXGTWRUGPLP-SFHVURJKSA-N 461.636 2.361 30 10 JEEE C=CCCOCCn1c(-c2ccc(Br)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1749447793 NZYRRLPZUWBOLD-UHFFFAOYSA-N 484.420 2.382 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCN2C(=O)CC[C@@H]2C1 1749651416 VEJFELQXTNJKLQ-RTBURBONSA-N 452.559 2.148 30 10 JEEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1749740279 CCVDTVKRHIUURJ-UHFFFAOYSA-N 458.563 2.426 30 10 JEEE CC(C)NS(=O)(=O)CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@@H](C)CC#N 1751004739 IFMPCTDIMKPUJN-ZWKOTPCHSA-N 497.666 2.459 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CCNc1nccc(C(F)(F)F)n1 1760098944 BBUCFJYBWNHAHW-KUHUBIRLSA-N 453.469 2.309 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OCC)c(OC)c2)n1CCNC(=O)c1cc[nH]n1 1760291871 GNBNRRWOKWMXQJ-XMMPIXPASA-N 463.542 2.498 30 10 JEEE C=C(Br)Cn1c(N(CCS(C)(=O)=O)C2CC2)nnc1[C@@]1(OC(C)C)CCOC1 1760314979 XMYSKGJAFADRBR-GOSISDBHSA-N 477.425 2.241 30 10 JEEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)N(CC)CC)CC1 1760406698 JUZRMWIYFHDZCE-KRWDZBQOSA-N 469.656 2.074 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCOC2)n1C[C@H]1CCCN1S(C)(=O)=O 1760487131 JZGFFEUPYNQZSX-DLBZAZTESA-N 451.618 2.460 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCn2nc(C)nc2C1)C(C)C 1760487847 FVUUCUWQNZXFRS-FQEVSTJZSA-N 467.622 2.133 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1760526177 GUMJFOBWJSYPEX-GOSISDBHSA-N 475.615 2.214 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CCN(C(=O)C(C)C)CC1 1760527702 GDMQVZMHUUFBJX-UHFFFAOYSA-N 456.616 2.486 30 10 JEEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(CNC(=O)c2cccs2)n1CC(F)(F)F 1763043221 ARTAXRRTWUZVIY-ZDUSSCGKSA-N 491.503 2.209 30 10 JEEE CCN1CCC[C@H]1Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCO[C@H](C#N)C1 1765433475 HKFRRVBWZMMMHC-ZWKOTPCHSA-N 456.547 2.184 30 10 JEEE N#Cc1ccccc1NC(=O)c1nc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)n2ccccc12 1858243326 XRTWCPQNGNVIEY-UHFFFAOYSA-N 488.529 2.078 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)C(=O)NCCCN(CC)CC)c(C(=O)OCC)c1C 1860760824 DQXRFROLBVFBNZ-UHFFFAOYSA-N 453.561 2.363 30 10 JEEE C=CCN1C(=O)C(Nc2ccc(S(=O)(=O)NC(C)=O)cc2)=C(c2ccc(F)cc2F)C1=O 1863306162 SXMHNVVZCJPURI-UHFFFAOYSA-N 461.446 2.168 30 10 JEEE Cc1nnc2sc(CCC(=O)N[C@H](Cc3ccc(O)cc3)C(=O)Nc3ccc(C#N)cc3)nn12 1867041538 DAXVAEJLWYEWTB-LJQANCHMSA-N 475.534 2.370 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)Nc2ccccc2C(=O)OC)cn1C[C@@H](C)O 1870741873 HNAPASLKYYBKLV-GOSISDBHSA-N 469.538 2.207 30 10 JEEE C=CCN=c1nc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)[nH]c(=Nc2ccc3c(c2)OCCO3)[nH]1 1871711395 JWTUXVYYTSDRCQ-UHFFFAOYSA-N 490.524 2.063 30 10 JEEE CC(=O)NCc1nnc(SCC(=O)Nc2ccccc2)n1/N=C/c1ccc2c(c1)OCCO2 1874431263 OVPWHRMNPUDXTN-WYMPLXKRSA-N 466.523 2.298 30 10 JEEE CN1CCN(CC#CCOC2CCN(C(=O)COc3ccccc3Br)CC2)CC1 1889463433 HNIJDNDBLKXOHB-UHFFFAOYSA-N 464.404 2.086 30 10 JEEE Cn1ncc(I)c1CNC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C 1963658528 OBMAADIMVUTLLI-LBPRGKRZSA-N 461.304 2.228 30 10 JEEE CC(C)(C)OC(=O)N1[C@H](COc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)CCS1(=O)=O 2254759679 RDCFHHUIBJKKKD-HNNXBMFYSA-N 454.354 2.099 30 10 JEEE CN(C[C@H](O)COCc1ccccc1)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2255753705 VKIGUGAANOVIQD-KRWDZBQOSA-N 467.418 2.246 30 10 JEEE C=C1CC(CO)(NC(=O)c2cc(I)cc(I)c2O)C1 2265374539 AODHQWCQFHUFSG-UHFFFAOYSA-N 485.059 2.412 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N(C)CCN2CCN(C(=O)OC(C)(C)C)CC2)C1 2266525630 XBXKCZRZVASFNR-UHFFFAOYSA-N 464.607 2.304 30 10 JEEE CCN(C(=O)OC(C)(C)C)[C@H](C)CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)c(C)nn1C 2267134780 URQQQIIQOYWPHK-CQSZACIVSA-N 450.389 2.403 30 10 JEEE Cc1c(C(=O)NCCN(C(=O)OC(C)(C)C)C(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267139201 CRSWJOMVRAQDLH-UHFFFAOYSA-N 450.389 2.403 30 10 JEEE CN(C(=O)c1ccoc1B1OC(C)(C)C(C)(C)O1)[C@]1(CNC(=O)OC(C)(C)C)CCOC1 2267291902 VZUIQCZVRBUGHO-QFIPXVFZSA-N 450.341 2.335 30 10 JEEE CC1(C)OB(c2ccc(S(=O)(=O)NC3[C@@H]4CN(Cc5ccccc5)C[C@@H]34)cc2)OC1(C)C 2267411681 CFHBRBCVGKLBRN-NHCUHLMSSA-N 454.401 2.395 30 10 JEEE CN1CCN(C(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)[C@H](CNC(=O)OC(C)(C)C)C1 2267482061 XYQQYEVEPKLCDJ-OAHLLOKOSA-N 465.425 2.328 30 10 JEEE CNC(=O)CN(Cc1ccccc1)S(=O)(=O)Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2267710274 RFXTYVAGLYTZAW-UHFFFAOYSA-N 458.389 2.064 30 10 JEEE CC[C@](C)(O)CN(Cc1ccccc1)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2267719845 FRJNWMNTTWDZSF-QFIPXVFZSA-N 463.409 2.071 30 10 JEEE C=C(CS(=O)(=O)NC[C@@]12CN(Cc3ccccc3)C[C@@H]1CCO2)B1OC(C)(C)C(C)(C)O1 2267720537 MHMPQQPMAXLIMK-NZQKXSOJSA-N 462.421 2.385 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](O)C[C@H]1C(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)cs1 2268650550 JPTHAWYVVBQGPM-RDJZCZTQSA-N 466.409 2.424 30 10 JEEE CC(C)(C)OC(=O)NCC1(O)CC(C(=O)NCc2sccc2B2OC(C)(C)C(C)(C)O2)C1 2268652214 FBASEWFMUJKGKD-UHFFFAOYSA-N 466.409 2.329 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)Nc1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2268657533 IXNJFJDBVTXAIN-PBHICJAKSA-N 450.316 2.434 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CC(C(=O)NCc2ccc(B3OC(C)(C)C(C)(C)O3)s2)=C[C@H]1O 2268716371 UKQRIPJRBNNDAA-HZPDHXFCSA-N 464.393 2.248 30 10 JEEE CC(C)(C)OC(=O)N1CC2(COCCN2C(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2281937550 BAOBYGZYLBPRJR-UHFFFAOYSA-N 458.364 2.448 30 10 JEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CCCCCN(Cc3ccccc3)C2)n1 2281954231 VLGKVYCXBRROKE-IBGZPJMESA-N 453.396 2.289 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCCO[C@@H]2[C@@H]1NC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2282003506 CHJXBQNBHQBWQT-XZDPQHSOSA-N 479.408 2.243 30 10 JEEE Cn1cc(C(=O)N2C[C@H]3CCN(Cc4ccccc4)C[C@@H]3C2)nc1B1OC(C)(C)C(C)(C)O1 2282044925 SMKHGFZVAMRWIB-WOJBJXKFSA-N 450.392 2.313 30 10 JEEE CC(C)[C@@H](C)[C@@H](CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)NC(=O)OC(C)(C)C 2282178810 IVVOERYWXHIAQK-HUUCEWRRSA-N 465.404 2.030 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(NS(=O)(=O)Cc2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282501835 CGICUDVOERDKQG-UZUQRXQVSA-N 478.420 2.415 30 10 JEEE Cn1ncc(C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)CC23CC3)c1B1OC(C)(C)C(C)(C)O1 2282565506 LFGYPMBGZMSTFQ-HNNXBMFYSA-N 460.384 2.381 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N1CC[C@H](NC(=O)C(F)(F)F)C[C@H]1C 2285210530 JPWORMQGIYABMA-HIFRSBDPSA-N 455.286 2.361 30 10 JEEE Brc1ccc(C=CC=NNc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1 2297453348 HPZVQWGHTRJEQM-UHFFFAOYSA-N 474.363 2.418 30 10 JEEE C#C[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=NOCC(=O)N[C@@H](CO)C(=O)O)CC[C@]4(C)[C@H]3CC[C@@]21C 2297639337 LFHYHJHRXQUQHI-MUJFUKGISA-N 472.582 2.248 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1[C@H]2C[C@H](CN(c3ccc(B4OC(C)(C)C(C)(C)O4)cn3)C2)[C@H]1CO 2358982112 PKOVULQSIWDCSG-HNAWSFBYSA-N 459.396 2.339 30 10 JEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1CCNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2362346566 TZFGGTCHSPHNIM-HOTGVXAUSA-N 462.400 2.342 30 10 JEEE CS(=O)(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)Nc3sccc3C#N)CC2)c1 8933509 WQKCJIWSRNRQLI-UHFFFAOYSA-N 453.567 2.063 30 10 JEEE CCOc1cc(/C=N/Nc2nc(SCC(=O)NCc3nnc(C(C)C)o3)n[nH]2)ccc1O 59881488 ACTUKCHUSMMLEC-ODCIPOBUSA-N 460.520 2.270 30 10 JEEE CC1(C)OB(c2ccc(NS(=O)(=O)CCN3C(=O)c4ccccc4C3=O)cc2F)OC1(C)C 704372995 QXGLRAHXORETOL-UHFFFAOYSA-N 474.319 2.163 30 10 JEEE C[C@H](NC(=O)C1CCCC1)C(=O)[C@H](C#N)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 916948309 FOAYBKALKPHIIU-JXFKEZNVSA-N 474.583 2.203 30 10 JEEE C=CCn1nc(C)c(C=NNc2nnc(SCC(=O)N[C@@H](C)c3ccccc3)n2N)c1C 1084118310 GVAZNILYKPKZRF-AWEZNQCLSA-N 453.576 2.407 30 10 JEEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(CC(=O)Nc2cc(C)on2)CC1 1135900825 AWPKLGWJDBPQFH-OAHLLOKOSA-N 455.943 2.102 30 10 JEEE N#Cc1ccc(N2CCC[C@@H](NC(=O)c3cccc(S(=O)(=O)NCC4CC4)c3)C2=O)cc1 1138180882 DWKVQHRFAGAIJA-OAQYLSRUSA-N 452.536 2.172 30 10 JEEE C#CCNS(=O)(=O)N1CCN(C(=O)c2sc(-c3ccco3)nc2-c2ccccc2)CC1 1175515252 USFSASUJOHAMOP-UHFFFAOYSA-N 456.549 2.296 30 10 JEEE CC(=O)N1CCCCC[C@H]1C1CCN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)CC1 1190863871 CAGRMNRRONTKIT-QFIPXVFZSA-N 456.591 2.006 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC(=O)N1CCN(c2ccccc2)CC1 1286276517 RPLBMUDDGAUMQS-QFQXNSOFSA-N 480.613 2.125 30 10 JEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1csc(CC)n1 1286409039 NUOMLFRLKUHFQG-UHFFFAOYSA-N 453.597 2.378 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1C[C@H](c1cccc(C)c1)N1CCOCC1 1286466806 KHQHUPYFBXIDJH-DHIUTWEWSA-N 453.587 2.250 30 10 JEEE C#CCN1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CCCC(F)(F)F)CC1 1286477306 WKPHAGNVWUGCON-UHFFFAOYSA-N 469.537 2.336 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CN2CCC(C)CC2)C1 1286509295 OMKVBIKJXUGXEY-RTWAWAEBSA-N 479.716 2.495 30 10 JEEE C=C(Br)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(C)=O)CC1 1286540504 BKFQMNLQOIFFCU-INIZCTEOSA-N 499.410 2.164 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](CNC(C)=O)C1 1286550580 IUJXSUAVOFUTFD-BDTNDASRSA-N 450.543 2.139 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCCCN2CCC)CC1 1286663145 HAAOXDJSXJTFCX-LEWJYISDSA-N 480.679 2.278 30 10 JEEE C=CCOc1ccc(Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCNC(=O)[C@H]2CC)cc1 1286797583 ZKLLNYBEHFUSPM-TYPHKJRUSA-N 455.559 2.330 30 10 JEEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1286822982 JSWGFGQPATXTMF-HUUCEWRRSA-N 472.662 2.150 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2CC(C)(C)C(=O)NC)c1 1300333857 DDSIXVGCTXSSQS-UHFFFAOYSA-N 459.554 2.092 30 10 JEEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1300372977 XWLACTFJBJXHOR-IBGZPJMESA-N 456.616 2.232 30 10 JEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cc(C)nc(C(C)C)n2)CC1 1300410581 PDMHDTNKRPEBDW-LJQANCHMSA-N 471.631 2.142 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CC[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1300482453 GCECSAQOPNXFFQ-GDBMZVCRSA-N 482.404 2.089 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 1300505576 DAZSHIDTBCBBNM-SLFFLAALSA-N 466.586 2.090 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2Cc2nncn2CC)CC1 1300682864 KHEQWJFXPSYQFZ-IBGZPJMESA-N 464.574 2.232 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H]2CCCO[C@H]2C(C)(C)C)CC1 1300719871 TYQZVAFSDDXHJL-PZJWPPBQSA-N 467.618 2.486 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)Nc2c(C)cccc2C)CC1 1301036499 FPHORBFKMSIKKM-SFHVURJKSA-N 471.993 2.359 30 10 JEEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1ccsc1)N(C)C)C1CC1 1301327017 KTQVDEFHZGXPOO-OALUTQOASA-N 480.660 2.130 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(C(=O)c2ccco2)CC1 1301483264 MNBVVBJSATWQTP-UHFFFAOYSA-N 486.479 2.404 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 1301506379 JWHYKROVEAIGPH-GOSISDBHSA-N 494.987 2.470 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1301514500 JXIMMDOAYFFWCK-PBHICJAKSA-N 469.464 2.324 30 10 JEEE C=CCOc1ccccc1Cn1c(Cc2ccsc2)nnc1N1CCO[C@H](C(=O)NC)C1 1301531569 QIPZCWBHFNLAPT-FQEVSTJZSA-N 453.568 2.495 30 10 JEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](c2nc(C)c(C)s2)C1 1301586369 KZXBIPIASUHNPR-GOSISDBHSA-N 492.671 2.459 30 10 JEEE C[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1)N1CCC[C@@H](C)C1 1305028602 HKHUTCREIZFIFS-MOPGFXCFSA-N 451.575 2.175 30 10 JEEE COC(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CCCC2)C1 1315101736 AKHDSURSZBHKCT-SFHVURJKSA-N 487.582 2.085 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(Cl)s1 1358889611 DXKZHFUJFSCZGP-ZFWWWQNUSA-N 458.009 2.027 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CC[C@@](C)(CC)O1)[C@@H]1CCS(=O)(=O)C1 1358966755 VZPKGANNAYKVFN-ZRCGQRJVSA-N 474.631 2.114 30 10 JEEE C#CCN(c1nnc(Cn2ccc3ccccc32)n1CC(C)(C)C(=O)NCC)[C@@H]1CCS(=O)(=O)C1 1358966809 XDLLANIBMXROPU-HXUWFJFHSA-N 496.637 2.070 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@H](C1CC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1358967204 GAAKKFHVSLIOOV-IFMALSPDSA-N 471.627 2.132 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCC1CCN(CC)CC1 1358971784 ITIQYEFXMYMOPH-UHFFFAOYSA-N 482.654 2.390 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C 1358973925 KOSJTQSMTZBGES-LJQANCHMSA-N 489.584 2.497 30 10 JEEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCN1CCN(C)C(C)(C)C1 1358978973 ZHRJTEICZBJQHG-UHFFFAOYSA-N 497.688 2.491 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCC(=O)NC(C)(C)C 1358983442 IQWOCKGKSGVULP-HDICACEKSA-N 456.591 2.426 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccc3)n2CC2CCS(=O)(=O)CC2)n1 1359027790 WGBKQVSLRPMGDN-UHFFFAOYSA-N 482.610 2.253 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCCCO2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1359083366 INBPKYXRWWIEAD-MNEFBYGVSA-N 481.439 2.417 30 10 JEEE C=C(C)CN(CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@]1(O)CCOC1 1359115834 OOPTTZDIOPURTM-RUZDIDTESA-N 454.619 2.197 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(COc3ccccc3OC)n2C[C@@H]2CCCS(=O)(=O)C2)C1 1359325623 JFGBYPOWORGSSX-OALUTQOASA-N 476.599 2.472 30 10 JEEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)c1cccc(S(C)(=O)=O)c1 1464530362 JOBJMHVIZFQEMO-UHFFFAOYSA-N 456.586 2.114 30 10 JEEE C#CCN(C(=O)c1cc(S(N)(=O)=O)cc(F)c1C)C1CCN(C(=O)OC(C)(C)C)CC1 1471882110 WMIKFNKNSSTCPD-UHFFFAOYSA-N 453.536 2.256 30 10 JEEE Cc1nc(S(=O)(=O)N2CCN(c3nnc(-c4cccc(C#N)c4)n3CCC(C)C)CC2)cn1C 1492693540 HKDXQARFIOBEJM-UHFFFAOYSA-N 482.614 2.416 30 10 JEEE CCN(CC)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCn2cc(C)cn2)CC1 1501780060 DXCWBLYQQYLHKY-UHFFFAOYSA-N 475.601 2.012 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@H](CC)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1507638487 FVRGXDSEOLGFEQ-SFTDATJTSA-N 489.617 2.497 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@@H]1CCOC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1507640804 WHGJFLUAFBPTAV-QHAWAJNXSA-N 472.611 2.465 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@]2(O)CCC[C@H]2C)CC1 1507733882 CTYVWYMXXBMVMP-IQGLISFBSA-N 451.571 2.471 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CSc3ccccc3OC)n2C[C@@H]2CC[C@H](CO)O2)CC1 1507741057 KEPLAPGBDGMXJY-VQTJNVASSA-N 499.637 2.085 30 10 JEEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 1507750561 ZAOVSKDFLQAVQZ-UXHICEINSA-N 469.659 2.457 30 10 JEEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(c2ccccc2)CC1 1507750771 DWESDJMWLBGWCR-OAQYLSRUSA-N 489.667 2.361 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)cc(OC)c2)n1CCS(=O)(=O)NC(C)C 1507765222 ZWXKJHJFULJYMP-JOCHJYFZSA-N 461.588 2.282 30 10 JEEE C=C(C)COCCn1c(Cc2c[nH]c3ccccc23)nnc1N(C)CC(=O)N1CCOCC1 1507847599 OJLFCQBACLRCNX-UHFFFAOYSA-N 452.559 2.238 30 10 JEEE C=CCCOCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(C(=O)NCC)CC1 1507964409 DVRYYXAGVAGKJW-FQEVSTJZSA-N 456.547 2.235 30 10 JEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1CN(C)C(C)C 1507984369 VIRNKHIQNZCQHP-OAQYLSRUSA-N 476.647 2.122 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CC=CCO1 1507995938 FESIWXULOFETMK-FXAWDEMLSA-N 456.572 2.298 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1508079423 VFVGPKQNGAJVPI-UHFFFAOYSA-N 475.475 2.014 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCS(=O)(=O)N(C)C)C1 1508115117 HVRKXGQKGBNAFU-INIZCTEOSA-N 469.995 2.280 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(C(=O)NCCC)CC1 1508136933 WMDVJFPRHNNVRT-UHFFFAOYSA-N 489.598 2.017 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N(C)CC(=O)Nc1c(C)cc(C)cc1C 1508142131 QSQNQLSVMGBVBW-IBGZPJMESA-N 475.615 2.383 30 10 JEEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 1508164075 YGDPMZSBFYRNGK-LJQANCHMSA-N 456.616 2.462 30 10 JEEE CC(C)(C)Cc1nnc(N2CCO[C@H](C#N)C2)n1CCCN1CCN(c2ccncc2)CC1 1508605465 FFOCAGHFXHZZKQ-OAQYLSRUSA-N 452.607 2.203 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOc1cccc(C(F)(F)F)n1 1509950242 DXYITHOMTOTAJW-UONOGXRCSA-N 472.493 2.411 30 10 JEEE C#CCN(C)c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1539159486 XMXUFWLBRDIVRC-CQSZACIVSA-N 452.378 2.059 30 10 JEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC(CN2C[C@H](C)O[C@H](C)C2)CC1 1539491026 KQZXHMCBCPIDPS-KDURUIRLSA-N 462.664 2.108 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CC(F)(F)CNC(=O)OC(C)(C)C 1539539338 STMIDUWKTIPCAI-IFXJQAMLSA-N 490.577 2.040 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N1CCC(C(=O)NCCOC)CC1 1539636463 KPAKPNPYQFJDIS-REWPJTCUSA-N 468.602 2.224 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)N2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1540134099 SAZAOOCPTWDOQV-LNVKXUELSA-N 493.543 2.372 30 10 JEEE C=CCn1c(N2CCN(CC(=O)N3C[C@H](C)C[C@@H](C)C3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1540861079 AQHKNJCOQBEKJW-DNRQZRRGSA-N 474.650 2.131 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 1540869453 NUJUJNBFLNOQQZ-KRWDZBQOSA-N 455.563 2.396 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cccc(CN(C)CC)c2)C1 1540892483 MCGVLFITTTYZNZ-FGZHOGPDSA-N 473.643 2.462 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1540902994 VSJDPAFTKOSHDF-NRFANRHFSA-N 488.589 2.458 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2ccc(Cn3ccccc3=O)cc2)s1 1542323827 PIJFGSGGGVXKOB-UHFFFAOYSA-N 457.577 2.281 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCC1=CCc2ccc(OC)cc21 1588181032 NEEWBFLFXCHYRK-SFHVURJKSA-N 467.595 2.390 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCSCC1 1588233789 QWKBZLSTHCMYSG-FQEVSTJZSA-N 488.658 2.098 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(C)n2)n1Cc1cccc(CS(C)(=O)=O)c1 1588629083 XAWHDYFKUGAWID-UHFFFAOYSA-N 453.568 2.327 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCN2CCCC[C@@H]2CC)CC1 1588961615 GMHGYEKSZLBAMK-QHCPKHFHSA-N 480.661 2.370 30 10 JEEE C#CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](CNC(C)=O)C1 1589124899 DHJZMWDGQVWSSS-OALUTQOASA-N 492.646 2.058 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC2(S(C)(=O)=O)CCCC2)C1 1595755138 SUKLFKSOMMOFID-FHWLQOOXSA-N 468.620 2.141 30 10 JEEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC[C@H](C)N1CCCCC1 1616922545 DFDWKPZZLXSEBL-VQTJNVASSA-N 467.622 2.456 30 10 JEEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[S@](=O)C(C)(C)C 1617869567 CITZZYAYNYDAPD-JJCDCTGGSA-N 463.629 2.235 30 10 JEEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(Oc3ccc(OCC)cc3)cc2)CC1 1622800542 MIQHSEYLMMEQNB-UHFFFAOYSA-N 458.540 2.495 30 10 JEEE Cc1ccc(C[C@H](CO)NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1C 1638510540 HULUWOQXMSCROV-JOCHJYFZSA-N 455.580 2.296 30 10 JEEE CC1CCC(C#N)(N(C)C(=O)[C@@H](C)N(C)CCOc2ccc(S(N)(=O)=O)cc2F)CC1 1654700666 HNIRDDKMUCHXEW-ZGOJQLDESA-N 454.568 2.103 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1CCOc1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 1689990831 SLVFXIIBZYVIPA-IRXDYDNUSA-N 464.975 2.141 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)N2CCCC2)n1CC1(S(C)(=O)=O)CCC1 1690087453 YQCZSPHJBUIRCU-UHFFFAOYSA-N 473.574 2.260 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2C[C@H]2CCCCN2CC)CC1 1690133550 LAFVPEUPKCTBDS-OAQYLSRUSA-N 452.603 2.495 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CC(=O)N(C)CC)CC1 1690138215 VYJNOGANEUJRNK-HXUWFJFHSA-N 480.613 2.479 30 10 JEEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1690177097 JTZOFEPCEQCHCD-UHFFFAOYSA-N 491.621 2.064 30 10 JEEE C=C(Br)Cn1c(N2CC(=O)N[C@@H]3CCCC[C@H]32)nnc1[C@]1(OCC)CCOC1 1690233295 CBOHEGZBIGCRIX-CLCXKQKWSA-N 454.369 2.086 30 10 JEEE C=C(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1690273330 QMKZWICTMVIDDV-GOSISDBHSA-N 459.639 2.342 30 10 JEEE C=C(Cn1c(N2CCN(S(C)(=O)=O)CC2)nnc1[C@]1(OC(C)C)CCOC1)c1ccccc1 1690325807 IKHGTLFHRZFPOT-QHCPKHFHSA-N 475.615 2.114 30 10 JEEE C=CCCCn1c(-c2cc(Br)cn2C)nnc1N(C)CC(=O)N1CCOCC1 1690472640 SBXKJUONZMZCMY-UHFFFAOYSA-N 451.369 2.307 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCCS1(=O)=O 1690574108 OXDRZJWUKUZJRJ-DOTOQJQBSA-N 487.673 2.110 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC(CCC(N)=O)CC1 1690668864 MGIYZYPKAXSYOI-UHFFFAOYSA-N 463.542 2.384 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCC(C)(COC)CC1 1690726468 BDPMXJHQWJHUMU-UHFFFAOYSA-N 453.634 2.488 30 10 JEEE CCN(CC)CCCn1c(-c2ccccn2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1695657479 AIVFYZWEKWDZNQ-UHFFFAOYSA-N 462.606 2.312 30 10 JEEE COc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@](C)(C#N)C2)cc1OC 1697440901 HEPPLBAWWMHDIN-VFNWGFHPSA-N 462.576 2.084 30 10 JEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(OC[C@H]2CCCCO2)CC1 1705532615 PFRCFFMHAAYWIY-AZUAARDMSA-N 450.605 2.148 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1Cc1cccnc1OC)[C@H]1CCS(=O)(=O)C1 1705562587 GBJWTVRLEDORPP-IBGZPJMESA-N 497.577 2.041 30 10 JEEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1705568836 VXOJVUHURBVFQP-FGTMMUONSA-N 475.640 2.333 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H](c1cccs1)N1CCOCC1 1705588146 XIOZUDWMKNRCPR-VWPQPMDRSA-N 469.611 2.210 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCn2cncn2)CC1 1705651030 HEHGWFIXZBSCDI-UHFFFAOYSA-N 490.612 2.412 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1cnn(-c2ccccc2)n1 1705685634 FKVOOOGONOKBAP-INIZCTEOSA-N 457.336 2.355 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2cc(C)on2)CC1 1705694783 TTXGBGKETTWIIR-AZUAARDMSA-N 457.579 2.016 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(CS(C)(=O)=O)c1 1705717724 QGJTVRGDSYLTHK-IBGZPJMESA-N 466.629 2.176 30 10 JEEE C=CCC(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCCN(S(C)(=O)=O)CC1 1705794533 LQRFIFALFQDHLW-UHFFFAOYSA-N 480.660 2.344 30 10 JEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2ccc(F)cc2)C1 1705820061 ZZCSOGUJUMDWLR-PMACEKPBSA-N 479.578 2.294 30 10 JEEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(N(C)C)Cc2ccccc2C1)C1CC1 1705849055 BABHJPPOZACNPL-QGZVFWFLSA-N 458.632 2.142 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CCSC1 1705859497 BGULWSGLZIHWHO-KNQAVFIVSA-N 473.624 2.112 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCC(Cn2cc(C)cn2)CC1 1705937264 OMRZLBZVUJNMLX-UHFFFAOYSA-N 469.615 2.286 30 10 JEEE C[C@@H]1CN(C(C)(C)Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCN2CCOCC2)C[C@@H](C)O1 1708144839 GXYFURKBPDZBIC-NHCUHLMSSA-N 481.645 2.473 30 10 JEEE CCOc1c(Cl)cc(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C#N)C2)cc1OC 1710498290 AOEOCLQTSOVUKY-MRXNPFEDSA-N 474.949 2.238 30 10 JEEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCC2CCOCC2)c1 1711017945 GCWUXSRGQUCIGQ-JOCHJYFZSA-N 476.578 2.454 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1722284995 ROANGQWJYJOUPF-SLNYWTKHSA-N 461.526 2.132 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@](C)(O)c1cc(C)oc1C)[C@H]1CCS(=O)(=O)C1 1722359950 BLQNXUGJNBQOTE-YADARESESA-N 483.594 2.393 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCN(C)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1722360839 WNFMUKTWQHKWIM-QGZVFWFLSA-N 477.587 2.340 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CCc1ccccc1OC)[C@H]1CCS(=O)(=O)C1 1722368035 YKBQQCOTROREFM-NRFANRHFSA-N 465.579 2.142 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@]2(O)CCO[C@H]2C)CC1 1722433994 JVHRDEYNPPCITA-IFXJQAMLSA-N 466.405 2.064 30 10 JEEE C=C(Br)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CC(=O)NC(C)(C)C 1722484712 OZTCCSCNWPOPOU-UHFFFAOYSA-N 488.390 2.452 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C)cc(OC)c1 1722672719 XGDMZSAFTJTLSX-HXUWFJFHSA-N 461.588 2.155 30 10 JEEE CC(C)(C)OC(=O)N1CC(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(C(N)=O)CC2)C1 1722974745 FCXWFQHRBXSQCF-UHFFFAOYSA-N 495.584 2.297 30 10 JEEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC2CC2)C[C@H](C(F)(F)F)O1 1726722061 CKWRFKUTBGXAKR-KBXCAEBGSA-N 478.475 2.411 30 10 JEEE CS(=O)(=O)c1ccc(OCCn2c([C@H]3CCOC3)nnc2N2CCC(CC#N)CC2)cc1 1730993937 FRQDMKSONVEXPJ-SFHVURJKSA-N 459.572 2.395 30 10 JEEE C#CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCNC(=O)[C@@H]1CC 1740574093 JNYKVAUSAFFWPQ-ROUUACIJSA-N 460.579 2.105 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CC(=C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1740616566 CRMRBDXQCZQGTD-QPPBQGQZSA-N 470.595 2.270 30 10 JEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1Cc1cc(C)no1)[C@@H]1CCS(=O)(=O)C1 1740626051 RRMQNORMLBDLII-GOSISDBHSA-N 459.959 2.494 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCSCC1 1740671556 JWFISJNQBLSIDX-SFHVURJKSA-N 464.636 2.095 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CC2(O)CCCCC2)CC1 1740697401 CNHOXVPVTUGKPQ-UHFFFAOYSA-N 469.586 2.421 30 10 JEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](c2cccs2)N2CCOCC2)CC1 1740832691 GLPWBSXPSPWTKU-IEBWSBKVSA-N 494.687 2.426 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CCCO)CC1 1740850697 JKQLRIYAWBJCLG-IBGZPJMESA-N 469.652 2.202 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1CCN1CCOC(C)(C)C1 1740916525 PVCOCOFTAYXKDP-OAQYLSRUSA-N 463.586 2.404 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC(CC(=O)NC)CC1 1740963949 BTUYLZYSXSDZMS-UHFFFAOYSA-N 454.575 2.129 30 10 JEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H]1c1ccccc1OC 1740995061 YOMZTZLDFWGLPY-LJQANCHMSA-N 473.599 2.351 30 10 JEEE C=CCSCCn1c(-c2cccn2C)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1740999637 LOEWOHPXSJYELV-UHFFFAOYSA-N 452.650 2.453 30 10 JEEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](F)c1ccc(Br)cc1 1748766032 CXIMEINQNFORDG-IUODEOHRSA-N 458.357 2.431 30 10 JEEE C#CCN(c1nnc(C2CCCC2)n1C[C@@H](C)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1748814215 BBTBRYFSRNMRIY-AEFFLSMTSA-N 465.620 2.476 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1nnc(C(C)(C)C)s1)[C@H]1CCS(=O)(=O)C1 1748815337 PABACKPPNCOYAB-INIZCTEOSA-N 485.639 2.473 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@]1(C)CN(C2CC2)C1=O 1748859137 QIQDUEITEYVTRV-FUMQJTLXSA-N 466.586 2.133 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccnc2)n1CCCN1CCN(c2ccncc2)CC1 1748883041 PRQZOTKFCGMNBZ-UHFFFAOYSA-N 454.582 2.410 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1C[C@@H]1C[C@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1748886677 LGNWOHMFOSPPBJ-ZJOUEHCJSA-N 477.569 2.222 30 10 JEEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1c(C)nn(Cc2ccccc2)c1C 1748906802 YLYRRJFOUNGEMJ-GOSISDBHSA-N 469.615 2.258 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCOCC(F)F)CC1 1749003236 CDEPEXRQZSUAPB-UHFFFAOYSA-N 462.457 2.101 30 10 JEEE C#CCSCCn1c(N2CCN(Cc3cscn3)CC2)nnc1[C@@]1(OCC)CCOC1 1749050310 YJXKLJHNJLZQQK-OAQYLSRUSA-N 462.645 2.075 30 10 JEEE C=C(C)COCCn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1749232311 JQIYXKVVZFYMQO-QFIPXVFZSA-N 470.593 2.344 30 10 JEEE C=C(Cl)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN([C@@H](C)C(=O)NCCCOC)CC1 1749256818 CVFDWSVGCJGICR-SFHVURJKSA-N 471.993 2.232 30 10 JEEE C=C(Cl)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1749280330 HKJXWYPTOAPWIP-UHFFFAOYSA-N 495.411 2.244 30 10 JEEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)Cc2ccccc2C)CC1 1749411684 CYKKOGOYQAVBIK-LJQANCHMSA-N 474.631 2.054 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1749655430 KQYZTVWLKDHEHO-QHCPKHFHSA-N 476.528 2.150 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(CC)[C@@H](C)C1 1749670622 ULSQMGOUQIWTKH-RBUKOAKNSA-N 475.638 2.225 30 10 JEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2cccc(Cl)c2)C1 1749738084 DTLAVBFIXRPRSD-IBGZPJMESA-N 494.017 2.233 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(S(C)(=O)=O)CCCC1 1760117082 MDNHFJXBDOBUMJ-QZTJIDSGSA-N 495.646 2.402 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCO[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1760181044 OWYWWAZTPXVFTO-BFYDXBDKSA-N 496.431 2.478 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1CCOc1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 1760185332 VMRBNOFRKJHYEF-IBGZPJMESA-N 451.552 2.354 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1CCCc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1760186890 GUENASPKIIKXHE-VQTJNVASSA-N 458.584 2.050 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](c1cccs1)N1CCCC1 1760209432 COEARUDIXNIWHH-RTBURBONSA-N 474.656 2.250 30 10 JEEE C#CCN(CC#CC)c1nnc(Cc2ccncc2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1760221183 MQHZPDHVUAMPNT-OAQYLSRUSA-N 455.566 2.395 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2C[C@]2(O)CCOC2)CC1 1760266015 OCRZBMSBZUKCNC-MZNJEOGPSA-N 487.988 2.189 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2CCNc2nccc(C(F)(F)F)n2)CC1 1760268893 QWAKJZGRIWOIFJ-UHFFFAOYSA-N 462.480 2.042 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1 1760556066 UAXXYMIOGJEJEF-VGSWGCGISA-N 464.563 2.010 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(OC)cc2)nnc1N1C[C@H](C)O[C@@H](C)C1 1760558131 HAMIYAYHPACFBA-IRXDYDNUSA-N 450.561 2.080 30 10 JEEE CC(C)N1CCC[C@H](Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCO[C@H](C#N)C2)C1 1761184870 FNMCSNNUMNLOES-AZUAARDMSA-N 472.615 2.198 30 10 JEEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCN(C)C(=O)OC(C)(C)C 1763112256 HANSBHFQBFHHRM-MRXNPFEDSA-N 455.567 2.084 30 10 JEEE CC[C@@H](C)[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCc2nn(C)c(=O)cc2C1)OC 1763463646 ARYWKKDWQJPBFB-VGOFRKELSA-N 477.569 2.446 30 10 JEEE COc1ccc(CCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H](C(C)C)N2CCOCC2)cc1 1770137019 GJCCDMSJQZCKEX-PKTZIBPZSA-N 468.602 2.157 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C(C)=O)C[C@H]1C 1772659851 FEVAZQDHECJFIY-OAHLLOKOSA-N 451.980 2.256 30 10 JEEE CN(c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cn1)S(=O)(=O)c1ccccc1C#N 1858271391 AQWBFRLJYDDVBG-UHFFFAOYSA-N 473.492 2.487 30 10 JEEE CCCCCCCCNC(=O)[C@@H](CC(N)=O)NC(=O)c1ccc(=O)n(Cc2ccccc2F)c1 1861262556 UORZDHDXZXDIDI-OAQYLSRUSA-N 472.561 2.486 30 10 JEEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1ccc(O)c([N+](=O)[O-])c1 1862508768 QCLPANKGSWPYTK-IBGZPJMESA-N 457.414 2.462 30 10 JEEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(O)c(O)c2)c1 1862700286 CUJUZFSAJGDVJH-NRFANRHFSA-N 454.479 2.017 30 10 JEEE CC(C)C[C@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H](c1ccc(O)cc1)N(C)C 1869933694 MNEPFDLIJTTYOG-PMACEKPBSA-N 458.584 2.265 30 10 JEEE COc1cc(C(=O)NCC(=O)Nc2c(C#N)cnn2-c2cc(F)cc(F)c2)cc(OC)c1OC 1873685173 ZMZMIOJKSCHMQC-UHFFFAOYSA-N 471.420 2.416 30 10 JEEE COc1cc(/C=N/n2c(SCC(N)=O)nnc2-c2ccco2)cc(Br)c1O 1874464957 MBUPYIAIDPKIJI-FBCYGCLPSA-N 452.290 2.474 30 10 JEEE COc1ccc(N2C[C@H](C(=O)N3CCC(COc4nccnc4C#N)CC3)CC2=O)cc1OC 1891536330 ZOPZWICCSKNMNK-QGZVFWFLSA-N 465.510 2.036 30 10 JEEE CO[C@H](c1cncc(B2OC(C)(C)C(C)(C)O2)c1)[C@@H](NC(=O)OCc1ccccc1)C(=O)O 1952694936 CCCDMCRNZYDUAK-RTBURBONSA-N 456.304 2.448 30 10 JEEE C#CCN(C(=O)C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 2059616346 LKSYFMCRYIKHNW-VQTJNVASSA-N 464.584 2.136 30 10 JEEE Cc1cc(C(N)=NO)c(-n2cnc(I)c2I)nc1C 2099151455 YXIBGQMTGRCUIQ-UHFFFAOYSA-N 483.051 2.188 30 10 JEEE CC(C)(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 2230873945 QJYUGNNJCOFTML-DFEOGRTESA-N 465.591 2.273 30 10 JEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2255875064 QUNMDTLHZFEONV-HUUCEWRRSA-N 452.382 2.411 30 10 JEEE CON(CCNS(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)OC(C)(C)C 2255950863 VMQYMOFPMKZGLI-UHFFFAOYSA-N 456.370 2.063 30 10 JEEE C[C@@H]1CC[C@@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)CN1C(=O)OC(C)(C)C 2256617143 HHXOXLOGPHGPIV-CHWSQXEVSA-N 452.386 2.233 30 10 JEEE C[C@H]1CCC[C@@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)N1C(=O)OC(C)(C)C 2256639265 HMXAXKQNENIEQC-STQMWFEESA-N 452.386 2.376 30 10 JEEE Cc1csc(C(=O)N[C@@H](C)C2(O)CN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267154299 HFFSHLSLDVJFSI-AWEZNQCLSA-N 466.409 2.456 30 10 JEEE COc1ccc(S(=O)(=O)NCCN(C)Cc2ccccc2)cc1B1OC(C)(C)C(C)(C)O1 2267412700 QELDJFGUYAIHNB-UHFFFAOYSA-N 460.405 2.405 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCCCNC(=O)OC(C)(C)C 2267465845 ZFBDYIDRRYJXPV-UHFFFAOYSA-N 470.397 2.188 30 10 JEEE COCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2268636311 BPKPACXJEBBABQ-AWEZNQCLSA-N 469.413 2.378 30 10 JEEE N#Cc1ccc(NS(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)cc1Br 2270539115 CEIHAULVFWBQLQ-MRXNPFEDSA-N 482.312 2.442 30 10 JEEE Cc1c(C(=O)N[C@@H]2CCOC[C@H]2OCc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281986261 PNATVGRBWSSTOP-RTBURBONSA-N 455.364 2.132 30 10 JEEE CC1(C)OB(c2cnc(C(=O)NC[C@@H]3CN(Cc4ccccc4)CCO3)c(F)c2)OC1(C)C 2282036474 JTADRKQGQHUMNY-LJQANCHMSA-N 455.339 2.151 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2CCC[C@@]2(NC(=O)OC(C)(C)C)C1 2282051471 IBBODRCTSXKAMQ-IQMFZBJNSA-N 460.384 2.239 30 10 JEEE CN(C[C@@H]1COCCN1C(=O)OC(C)(C)C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn1C 2282176108 PTULHIQNUKJMGF-QGZVFWFLSA-N 463.384 2.032 30 10 JEEE CC(C)(C)OC(=O)N1CCCN(CCNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)CC1 2282623555 PUJUQRCRZDPMCE-UHFFFAOYSA-N 463.384 2.251 30 10 JEEE CC1(C)OB(c2cccc(S(=O)(=O)NC[C@@H]3CN(Cc4ccccc4)CCO3)c2)OC1(C)C 2282862553 FATFMCUWRGFQSA-OAQYLSRUSA-N 472.416 2.165 30 10 JEEE Cc1nc(S(=O)(=O)NCC[C@@H](C)N(C)Cc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)n1C 2282884876 UPNANHJERORMEM-QGZVFWFLSA-N 476.452 2.217 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2CCN(C(=O)c3nccnc3B3OC(C)(C)C(C)(C)O3)C[C@H]2C1 2283067056 ARYXKJJRYANADT-CVEARBPZSA-N 458.368 2.105 30 10 JEEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)C(=O)[C@@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C 2283953832 XZYCITBAYCVANZ-MOPGFXCFSA-N 460.380 2.315 30 10 JEEE CC(C)(C)OC(=O)NCC1(C(=O)N2CCc3ccc(B4OC(C)(C)C(C)(C)O4)cc32)COC1 2284033007 HYQYRQMZHGNUEB-UHFFFAOYSA-N 458.364 2.416 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1[C@H]2CC[C@H]3[C@@H](C2)[C@]31C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2284128682 GHCSVTYKGQIOEA-NZQIVFDWSA-N 476.408 2.137 30 10 JEEE C[C@H](NC(=O)[C@@H](CCC(N)=O)NC(=O)OC(C)(C)C)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2284135424 PLWQWLYMRNCIOH-DZGCQCFKSA-N 481.424 2.383 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H](COCc1ccccc1)C(=O)O 2284473033 PUXOXKARROLPDM-IBGZPJMESA-N 455.316 2.394 30 10 JEEE COc1ccc(C(O)=C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccccc2OC)cc1 2296082830 WQKUPPYMONIKPM-QFIPXVFZSA-N 452.507 2.458 30 10 JEEE COC(=O)c1ccc([C@@H]2C(=C(O)c3ccc(OC)cc3)C(=O)C(=O)N2CCN2CCOCC2)cc1 2297056924 AGZHIRUEZSNZMK-JOCHJYFZSA-N 480.517 2.236 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CS(C)(=O)=O)C(=O)N1CCC(B2OC(C)(C)C(C)(C)O2)CC1 2313849184 NUEQCQLOHBQJAZ-OAHLLOKOSA-N 460.402 2.009 30 10 JEEE Cc1scc(C(=O)N(CCO)CCNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2320446239 OPPBCFWCJOKFNT-UHFFFAOYSA-N 454.398 2.315 30 10 JEEE C=CCNC(=O)[C@@H](Cc1ccc(OC(C)=O)cc1)NC(=O)C=Cc1ccc2c(c1)OCCO2 2323601744 RXURCMRVDBKPHD-OAQYLSRUSA-N 450.491 2.426 30 10 JEEE COc1cc(C=Nn2c(CNC(C)=O)nnc2SCc2nc(O)c3ccccc3n2)ccc1O 2330778086 WTQDTRZRRQHKOO-UHFFFAOYSA-N 479.522 2.452 30 10 JEEE CCOc1c(Br)cc(C=Nn2c(COC)nnc2SCC(N)=O)cc1OC 2331565641 DWDDXDQGDGWPEB-UHFFFAOYSA-N 458.338 2.054 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)[C@H]2CCC[C@H]12 2362338782 UEZSTWSKHSOHLF-OAGGEKHMSA-N 460.384 2.237 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1C[C@](F)(CNC(=O)OC(C)(C)C)C1 2362342865 YIFZNFLOHMWEED-XLOAEROZSA-N 466.363 2.092 30 10 JEEE C=C1CC(NS(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)OC)(C(F)(F)F)C1 2368729219 JDTOQVJEPYDJCH-CQSZACIVSA-N 450.435 2.025 30 10 JEEE C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)OCC(=O)NCc1ccc(OC)cc1 18760147 CYBAICQGIZDQOM-RUZDIDTESA-N 463.490 2.020 30 10 JEEE COc1ccc(OC)c(NC(=O)CSc2nnc(N/N=C(\C)c3ccccc3O)n2N)c1 59829755 BACWXCUCCOHUCE-FSJBWODESA-N 457.516 2.282 30 10 JEEE N#C[C@@H]1C(=O)Nc2nc(N3CCC4(CC3)OCCO4)[nH]c(=O)c2[C@@H]1c1cccc(Br)c1 72444303 LZRDCLHRNQPHIM-LSDHHAIUSA-N 486.326 2.099 30 10 JEEE C=CCN1C(=O)[C@]2(/C(=C(/O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCOC)c2ccccc21 102566373 OFZRXVMZYOLWRA-VYNOCKSYSA-N 476.485 2.213 30 10 JEEE CCOCCOC(=O)c1ccc(N2CC(=O)C(c3nc4cc(OC)ccc4n3C)=C2N)cc1 170177696 BEWOVMPVWGUJDV-UHFFFAOYSA-N 450.495 2.492 30 10 JEEE N#Cc1cnn(-c2ccc(C(=O)N3CCN(C(=O)COc4ccc(Cl)cc4)CC3)cc2)c1N 555941571 IKVBCXAUJCQYAF-UHFFFAOYSA-N 464.913 2.343 30 10 JEEE CC1(C)OB(c2ccc3c(c2)CCN3S(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)OC1(C)C 712218295 IQXJWCBKDQCWPM-UHFFFAOYSA-N 496.394 2.364 30 10 JEEE CCCCCC[C@H](C)/C=C(C)/C=C/C(=O)N[C@@H]1CC2(O[C@@H]1O)[C@@H]1O[C@@H]1C(O)(CC(C)=O)[C@@H]1O[C@H]12 725383299 YFJWRMZGLWVCSQ-RJSPMMIJSA-N 477.598 2.316 30 10 JEEE C[C@H]1CN(c2ccc(NC(=O)C(=O)NC3CCN(c4ccc(C#N)cn4)CC3)cc2)C[C@@H](C)O1 727623365 GTEAGWGWPDRYND-HDICACEKSA-N 462.554 2.291 30 10 JEEE CC#CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@@](C)(O)C(=O)O 757206042 DDPSSWMURVWFFM-PXDATVDWSA-N 450.491 2.259 30 10 JEEE CCc1ccc(-n2ccc(=O)c(C(=O)N=C3C=CC(=[S@](=O)(O)N4C[C@H](C)O[C@H](C)C4)C=C3)n2)cc1 1086820810 VRSNGEZHJFOLLP-HDICACEKSA-N 496.589 2.456 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)C(=O)CNS(=O)(=O)c2ccccc2C(F)(F)F)c1 1141896544 IWMGEBXPNDSJJZ-UHFFFAOYSA-N 453.442 2.062 30 10 JEEE N#Cc1sccc1N1CCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CC1 1196082996 GESQPPRXZVAXSJ-OAQYLSRUSA-N 452.559 2.290 30 10 JEEE COC(=O)[C@@H](CNS(=O)(=O)c1cccc(Br)c1C#N)Oc1ccc(F)cc1 1211396650 HGZYKPHSIWZVKA-OAHLLOKOSA-N 457.277 2.359 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2CCCO[C@H]2CCOC2)c1 1286312586 YNUGNWOEBLYRGT-CTNGQTDRSA-N 453.543 2.034 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(=O)N[C@@H](C)CC 1286448305 RTQGILBZUDNCBN-ROUUACIJSA-N 462.595 2.351 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)OCCOC)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1286518380 FKVYGXTZXJAOLB-YDIMBITNSA-N 468.606 2.495 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1286555750 LJXXPIXOJHOBBH-RDGPPVDQSA-N 495.646 2.265 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC(N(C)C(=O)OCC)CC1 1286561898 DBWSVTBKJMTGEE-AVRDEDQJSA-N 474.606 2.439 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1286628548 IGEXZMKZXWRASW-NSISKUIASA-N 451.015 2.304 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(C(N)=O)CCCC1 1286766641 UHAKWTLGJSNLFA-QGZVFWFLSA-N 461.588 2.054 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1286782741 FAZCSVMDQVKFGS-OYHNWAKOSA-N 461.950 2.294 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC(=O)N2CCOCC2)C1 1286807043 ZUUUPSLDXRYMPW-KRWDZBQOSA-N 461.950 2.247 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@H](C)[C@H](OC)C1 1286813851 DOYYIQXZUUEDQT-QFBILLFUSA-N 496.033 2.324 30 10 JEEE C[C@H]1COCCN1CCn1c(-c2cccc(Br)c2)nnc1N1CCO[C@H](C#N)C1 1291306576 BRWVNGZGWWPUAX-MAUKXSAKSA-N 461.364 2.157 30 10 JEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(N2CCN(C(=O)C3CC3)CC2)nc1 1292612630 UYZSAGOSFRIYDO-LJQANCHMSA-N 455.559 2.385 30 10 JEEE CCNC(=O)C1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(CNC(C)=O)CC2)CCC1 1296259384 IFQBQKDBLUMSLH-UHFFFAOYSA-N 463.586 2.476 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCOCC1(C)C 1300310583 NSZHAEKMDQERQW-RBUKOAKNSA-N 476.622 2.155 30 10 JEEE C#CCCCn1c(CCOc2ccccc2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1300419474 NKJCFGMNJAVWQY-OAQYLSRUSA-N 450.543 2.080 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H](C)COC)[C@@H]1CCS(=O)(=O)C1 1300484656 UMGFVJQYTFIPOD-NVXWUHKLSA-N 468.526 2.456 30 10 JEEE C#CCN(c1nnc(-c2ccccc2)n1CC(=O)NC1CCCCC1)[C@H]1CCS(=O)(=O)C1 1300488826 GYSPQPVJZBOKHK-FQEVSTJZSA-N 455.584 2.021 30 10 JEEE C#CCN(c1nnc(COCC)n1Cc1ccc(OC2CCCC2)nc1)[C@H]1CCS(=O)(=O)C1 1300503845 GIKSDEQQICJSQE-IBGZPJMESA-N 473.599 2.206 30 10 JEEE C#CCN(c1nnc(CSc2ccc(Cl)cc2)n1CC1(O)CC1)[C@H]1CCS(=O)(=O)C1 1300503999 HYHADPQEMANFFN-INIZCTEOSA-N 467.016 2.375 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](F)c1ccc(Br)cc1 1300509671 RODVXRWGOZWXIY-RHSMWYFYSA-N 482.379 2.434 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1COc2ccccc2O1 1300537723 JMDXGAWXUBOXOS-WOJBJXKFSA-N 493.564 2.499 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCC[C@H]1OC 1300539108 YHPRAEWMLKNEHO-HSALFYBXSA-N 457.575 2.474 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@]1(O)CCO[C@H]1C 1300665454 JOSRSSBPCQVPIU-XLNZFTOWSA-N 477.606 2.019 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@H]2CN(CC(C)C)CCO2)CC1 1300707767 JDZOYJSGMACKSE-DEOSSOPVSA-N 466.630 2.278 30 10 JEEE C=C(Br)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(CCOC)CC1 1300843766 FQWRGBUDUHSJAX-UHFFFAOYSA-N 474.363 2.271 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCC(S(C)(=O)=O)CC1 1300872097 FCGNUNPAIBOIRC-APWZRJJASA-N 467.636 2.191 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@]1(O)CCO[C@@H]1C 1300904638 DERPBODJBBXABM-VGSWGCGISA-N 463.604 2.138 30 10 JEEE C=C(Cl)Cn1c(N2CCO[C@H](CNC(C)=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1301060481 GNFZUTUURXNLBY-IXDOHACOSA-N 468.986 2.143 30 10 JEEE C=CCC(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1301160384 PSSWLICCULXQMS-INIZCTEOSA-N 485.614 2.345 30 10 JEEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1301236708 IUNDQAQBCTXYGC-UHFFFAOYSA-N 459.982 2.482 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H](C(C)(C)C)C1 1301484381 GRMSENRQZWMVJV-SFHVURJKSA-N 474.631 2.370 30 10 JEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCCC[C@@H](SCC)C1 1301585443 AYZYILTXJHMNNC-QGZVFWFLSA-N 455.650 2.113 30 10 JEEE N#C[C@@]1(F)CCN(c2nnc(COc3ccc(Cl)cc3)n2CCNC(=O)c2cc[nH]n2)C1 1316530067 DHBSVKIOOFRFOA-FQEVSTJZSA-N 458.885 2.106 30 10 JEEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H]2OCC(=O)N(CC)[C@@H]2c2ccnn2C)cc1 1356332145 WTSMIWQBWPWDOJ-YADHBBJMSA-N 451.527 2.161 30 10 JEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(O)(Cc2ccc(F)cc2)CC1 1358920175 ULFDSYYIBSDJDF-QGZVFWFLSA-N 463.579 2.015 30 10 JEEE C#CCN(c1nnc(-c2cccc(Br)c2)n1C[C@@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1358957154 QJOYEULAAPBYDN-CRAIPNDOSA-N 480.432 2.284 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Br)n1C[C@@H](F)COC)[C@@H]1CCS(=O)(=O)C1 1358959900 RPYSJFYQDDKCTJ-HUUCEWRRSA-N 485.379 2.319 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C1CCCCC1)N(C)C 1359064777 ZQVVQYSITLQOCI-LQBOVUBWSA-N 450.653 2.391 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(F)F)CC1 1359091300 LTYAVMZSPOXJRT-VQIMIIECSA-N 461.517 2.294 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 1359132669 BVVXYZFAPCTPQD-GOSISDBHSA-N 493.605 2.247 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)c2ccccc2)CC1 1359132737 DPXRGRYFYANVIE-FQEVSTJZSA-N 487.626 2.172 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1359293646 WEIGOQANTBEUCE-IRLDBZIGSA-N 452.603 2.281 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC(C)(OC)C1 1359332314 UVNNXOWAKFIAGT-KRWDZBQOSA-N 483.635 2.219 30 10 JEEE N#Cc1ccc(N2CCN(C(=O)[C@@H]3COCCN3C(=O)OCc3ccccc3)CC2)c(F)c1 1434983717 BWJHYMDUSGOCJE-QFIPXVFZSA-N 452.486 2.384 30 10 JEEE C#C[C@@H](NC(=O)N1CCC(C(=O)NCC(=O)OCC)CC1)c1ccc(Br)cc1 1478896550 OXQIZOMGQZTOOG-QGZVFWFLSA-N 450.333 2.224 30 10 JEEE CN(C)[C@@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](C#N)C1)c1cccs1 1503379869 DRSNLYMOPADPMC-CVEARBPZSA-N 471.612 2.363 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1507518417 LPVSRRRBAWKJNX-JXQFQVJHSA-N 454.575 2.057 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC)n2CC2(NC(=O)OC(C)(C)C)COC2)c1 1507550168 HFBCTHWXNJIPLV-UHFFFAOYSA-N 468.558 2.190 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H]2CCCN(CC(C)C)C2)CC1 1507737487 AEDHSMKILMOZAC-HXUWFJFHSA-N 466.634 2.012 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1507807997 XLANZZLJVVKWHV-URVUXULASA-N 474.631 2.011 30 10 JEEE C=C(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1507833434 SDQFBXKJEZVUIN-HXUWFJFHSA-N 454.623 2.239 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1csc(Br)c1 1508080097 KGAJFPVWEXPDEC-UHFFFAOYSA-N 450.366 2.441 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H]1c1nncn1C 1508143308 GCASDVPNQJBISC-SFHVURJKSA-N 459.551 2.079 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1cccc(C(F)(F)F)n1 1510192914 DMYHQDJRWVIUJL-ACJLOTCBSA-N 471.509 2.480 30 10 JEEE Cc1nc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(CC(=O)N(C)C)CC2)sc1C 1510419104 HZUIAYXCHVYACC-UHFFFAOYSA-N 464.599 2.149 30 10 JEEE CCCOc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC2(O)CCOCC2)cc1OC 1515144362 HATXQWUCSLOXNS-GOSISDBHSA-N 457.531 2.013 30 10 JEEE COCC1(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)CCC1 1518776803 FEVZOOOQBNIDST-SFHVURJKSA-N 472.615 2.494 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CC2C[C@H](C)O[C@@H](C)C2)c1 1539042102 CMQIXSDJMPMRRT-FIKGOQFSSA-N 464.570 2.489 30 10 JEEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCCN1CCN(CC)CC1 1539172228 WCXMRUIRDLKYKK-UHFFFAOYSA-N 476.629 2.162 30 10 JEEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 1539177659 AOGIBRKGLDYQPB-IRXDYDNUSA-N 463.604 2.039 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccc(N(C)C)cc1C)[C@H]1CCS(=O)(=O)C1 1539232089 ZNNDVRQHRHNZLH-LEWJYISDSA-N 457.600 2.179 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)N[C@H](C)c1ccccc1 1539267309 YLEPRSPBBIRMKT-CTNGQTDRSA-N 453.612 2.382 30 10 JEEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ccc(NC(C)=O)nc1 1539323422 GHRDXEMUUXRNMO-UHFFFAOYSA-N 483.580 2.317 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCS(=O)(=O)C(C)(C)C 1539350366 JIPRMFQCVFOJHX-UHFFFAOYSA-N 452.602 2.021 30 10 JEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2cccc(C(=O)NCCC)c2)CC1 1539459779 NPHCOZXJRVWRIX-UHFFFAOYSA-N 474.613 2.083 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC(C)(C)COC)CC1 1539463390 ZVDALVNCCVGTNZ-KDURUIRLSA-N 460.623 2.477 30 10 JEEE C#CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)Cc1cnccn1 1539510156 FMRNEDXTNCNJFP-UHFFFAOYSA-N 460.567 2.468 30 10 JEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1539967387 QMJUEGBEOLOTNK-JYJNAYRXSA-N 481.541 2.123 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC(COC)CC1 1540862167 UDQLGEFKKQENDU-UHFFFAOYSA-N 460.966 2.027 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1540867991 ONKZQNLEHMOFKO-UHFFFAOYSA-N 466.565 2.059 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)C[C@H](C)C#N 1540901758 NWXNFOPNUJDPIV-QGZVFWFLSA-N 483.598 2.433 30 10 JEEE CC(C)C(=O)NCCn1c(-c2ccccc2F)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1541284465 FASZGJNLNVYJSO-KRWDZBQOSA-N 477.548 2.233 30 10 JEEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 1542485998 XQYXIFWZQYOXON-IBGZPJMESA-N 459.591 2.486 30 10 JEEE Cc1cc(C(=O)N2CCN(c3ccc(C#N)c(C(F)(F)F)c3)C[C@H]2C(=O)NC2CC2)n(C)n1 1548371078 LVFRIJWKBBNQDL-IBGZPJMESA-N 460.460 2.229 30 10 JEEE CNC(=O)c1cccc(Cn2c(-c3csc(N4CCOCC4)n3)nnc2N(C)[C@H](C)CC#N)c1 1554415225 DMLYEIYVTRZUNQ-MRXNPFEDSA-N 480.598 2.384 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCCC(=O)N1CCN(c2ccc(C#N)cc2)CC1 1557722237 HXVUPVQVMKLETE-FQEVSTJZSA-N 455.559 2.113 30 10 JEEE CCC(CC)(CNC(=O)OC(C)(C)C)NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 1586225118 GJUYJNFHQQKTEO-HNNXBMFYSA-N 452.577 2.425 30 10 JEEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1587783605 UUGCHRLAJXGTDD-UHFFFAOYSA-N 497.669 2.208 30 10 JEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(CCOC(C)C)CC1 1587823530 ULTOWECVQAFWMF-UHFFFAOYSA-N 459.616 2.309 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1C[C@H](C1CC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1588041544 XSMNBJOURHWTJB-FCHUYYIVSA-N 455.628 2.474 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1C[C@H](c1ccc(C)o1)N1CCOCC1 1589135232 VOWZCKMKMXKIPZ-NTKDMRAZSA-N 454.575 2.383 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ncnn1CC(F)F 1594498104 QGCSRPVZCZUXJW-AWEZNQCLSA-N 457.551 2.276 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@](C)(O)C1CC1 1595302619 BTNNZRNDIOAPLC-WZONZLPQSA-N 465.595 2.386 30 10 JEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1ccc(OC)cc1OC 1595405808 YXXHEOPUEULXDG-UYAOXDASSA-N 477.587 2.156 30 10 JEEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 1595461187 OSSWRMWYNMRGBP-DYQZNNLLSA-N 460.623 2.005 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCN(C(=O)OC)CC1 1595496761 GMALQRVKXCMFJA-UHFFFAOYSA-N 458.588 2.466 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC(N(C)C(=O)OCC)CC1 1595506803 NDGDHEFPJHFMOV-UHFFFAOYSA-N 486.573 2.322 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccccc1N1CCCC1 1595789602 XSGMRIRLZQQIJO-IBGZPJMESA-N 472.615 2.067 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CC[C@@H](C)N1CCCCC1 1608578862 HYTFZXFOTYYVKQ-UXHICEINSA-N 494.648 2.058 30 10 JEEE C#CCN(C(=O)Cc1c(C)nc2[nH]n(C)c(=O)c2c1C)C1CCN(C(=O)OC(C)(C)C)CC1 1611645527 ZCPSDFSOBLAGBI-UHFFFAOYSA-N 455.559 2.282 30 10 JEEE CCc1cnc(CCn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@H](C(N)=O)C2)s1 1613836105 ABGYIIQQONBAEV-MRXNPFEDSA-N 451.556 2.302 30 10 JEEE CC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2([S@](C)=O)CC2)CCN1CCOC 1614222425 BIQQCTZUTJBASB-WEZXKFLESA-N 456.616 2.275 30 10 JEEE CN(CC(C)(C)CN1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1COCCO1 1617827284 DZQKDPBCLXSWJV-OAQYLSRUSA-N 454.575 2.027 30 10 JEEE N#Cc1cc(F)c(S(=O)(=O)N2CCN(c3cnccc3C#N)CC2)cc1Br 1622192394 FYYLWRHIHVLJNC-UHFFFAOYSA-N 450.293 2.237 30 10 JEEE C#C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1)c1ccc(Cl)cc1F 1636311905 IVMTYWHPAIOXGF-CCKFTAQKSA-N 454.882 2.233 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)NCCN3CCC(NC(=O)OC(C)(C)C)CC3)cc2C1=O 1645159254 ZHUHUNPNFCSDGD-UHFFFAOYSA-N 456.543 2.188 30 10 JEEE N#Cc1cc(Br)cc(S(=O)(=O)N2CCC[C@H](CNC(=O)C(F)(F)F)C2)c1 1662271083 BRLGAZYLVBASKZ-SNVBAGLBSA-N 454.268 2.400 30 10 JEEE COc1ccc(CS(C)(=O)=O)cc1NC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 1677435366 FRXYNGJSCOWCKD-GOSISDBHSA-N 456.524 2.429 30 10 JEEE C#CCOc1ccccc1CNC(=O)N1C[C@H](C(=O)OC)C2(C1)CN(C(=O)OC(C)(C)C)C2 1678937625 OZBJBLYYRILUKT-GOSISDBHSA-N 457.527 2.250 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)c1ccc(OC)cc1 1689852557 HGCDIOHAGUNOQP-XLIONFOSSA-N 475.615 2.055 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(CC)CC)n2Cc2snnc2C)c1 1689868339 DBSXRTDPGOQFTN-UHFFFAOYSA-N 480.598 2.461 30 10 JEEE C#CCCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCNC(=O)[C@@H]1CC 1689877495 ZZLPCMHZUJAQJI-KRWDZBQOSA-N 457.604 2.065 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CCCOc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1689993138 WKKKTWGOMJFNKS-OAQYLSRUSA-N 483.569 2.499 30 10 JEEE C#CCN(c1nnc(COc2ccccc2OC)n1C[C@H]1CCCS1)[C@@H]1CCS(=O)(=O)C1 1689997122 WHLKWDWWDVYKMC-QZTJIDSGSA-N 476.624 2.388 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCCOC2)n1C[C@H]1CC(=O)N(CCOC)C1 1690090113 WOZSLVGISRKLMB-LEWJYISDSA-N 469.561 2.446 30 10 JEEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1690644551 RUOIHMDLUNNVMC-QGZVFWFLSA-N 477.610 2.403 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC[C@H]1c1nncn1C 1690665651 LCCNPGAOAMEXGI-KRWDZBQOSA-N 466.546 2.125 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1690675934 JZDVVMJTBXKDHX-QFIPXVFZSA-N 482.629 2.325 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC(O)(c3ccccc3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1690677276 SYSQVJVDLHTZGY-VWLOTQADSA-N 469.586 2.109 30 10 JEEE CC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2C[C@H](C)O[C@H](C)C2)CC1 1690922955 DGASEDWHZBCNRU-KDURUIRLSA-N 465.602 2.421 30 10 JEEE CCN1C[C@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCO[C@H]2C)C[C@@H]1C 1695812256 DOQPWYIILVVXHW-GSRZOBFVSA-N 454.575 2.188 30 10 JEEE COc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@](C)(C#N)C2)cc1OC 1697440899 HEPPLBAWWMHDIN-BTYIYWSLSA-N 462.576 2.084 30 10 JEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1705580617 MRFOOKZOXYXVSL-QGZVFWFLSA-N 493.559 2.195 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2CCCCN2CCC)CC1 1705652799 NVAMLFOVCSIUGI-ZRBLBEILSA-N 486.661 2.232 30 10 JEEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](Cn2cccn2)C1 1705725487 DKXYETZAFLZWBL-OALUTQOASA-N 473.578 2.265 30 10 JEEE C=C(Cl)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1705745993 KVXKYCIESAZQBF-ZDUSSCGKSA-N 494.785 2.331 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(F)c(COC)c2)CC1 1705781907 KEETYTSEUPZYNY-NRFANRHFSA-N 493.605 2.347 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2CC[C@@H](C(F)F)N2CCOCC2)C1 1705925729 SXPWGEMLGAHPEG-OTWHNJEPSA-N 455.550 2.309 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1705931207 JATGDJFWTMKSML-OAQYLSRUSA-N 482.610 2.160 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@H](C)[C@H](OC)C1 1705931305 MACADJVAJHTVRW-OXJNMPFZSA-N 464.588 2.424 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1705936014 HUUZDDSIOMLGDU-INIZCTEOSA-N 493.552 2.015 30 10 JEEE N#C[C@H]1CN(c2nnc(-c3cc(F)ccc3Br)n2C[C@H]2CCS(=O)(=O)C2)CCO1 1712882546 DEXFKFVYEMKMID-OCCSQVGLSA-N 484.351 2.010 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1cnn(CCOC)c1 1722293445 MZBPQZBQWFVYOQ-KRWDZBQOSA-N 460.542 2.024 30 10 JEEE C#CCN(c1nnc(-c2ccc(F)cc2Br)n1C[C@@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1722361335 HKJDZWOZDFESDF-GDBMZVCRSA-N 498.422 2.424 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1cccnc1OCCOC 1722393641 GLSWVMARBZPSMQ-UHFFFAOYSA-N 497.559 2.123 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc4c(s3)CC[C@H](C)C4)n2CC(=O)NCC=C)CC1 1722443423 IMNRYDWUFJLTCT-KRWDZBQOSA-N 480.638 2.399 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](CC)c3ccccc3)n2C[C@@H]2COCCO2)CC1 1722444058 DQVSEBZFJVMNJH-YADHBBJMSA-N 451.571 2.201 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@]1(O)CCO[C@H]1C 1722505402 NJOOQUZFFWFGFI-JTSKRJEESA-N 462.620 2.489 30 10 JEEE C=C1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@H](C)N2CCOCC2)CC1 1722566307 OTYCFHCHINCFFM-WOJBJXKFSA-N 476.622 2.464 30 10 JEEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](Oc2ncccc2F)C1 1722702552 PLUWQVQUOQYMOC-INIZCTEOSA-N 499.572 2.154 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@@]2(CCOC2)C1 1722729479 LWUIWMVCYRUACQ-NRFANRHFSA-N 466.991 2.119 30 10 JEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2cccc(F)c2)CC1 1740567700 UZWSHDXVUOXQRH-GOSISDBHSA-N 462.595 2.153 30 10 JEEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC1CCN(C(=O)OC)CC1 1740612943 NHSKGHNYTIUQFI-UHFFFAOYSA-N 479.629 2.191 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@H]1CCN(CCC)C1)[C@@H]1CCS(=O)(=O)C1 1740620688 HCUGVEHINNVULQ-VQTJNVASSA-N 471.627 2.312 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1ccccc1OCC)[C@@H]1CCS(=O)(=O)C1 1740622231 WHRADOKPIVNUHL-LJQANCHMSA-N 451.552 2.414 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@]1(O)CCO[C@@H]1C 1740668888 DBOFCBGDJPQNLN-MZNJEOGPSA-N 450.543 2.235 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC2(C)CCOCC2)CC1 1740696256 PMKVFIXGMXNVGR-FQEVSTJZSA-N 488.633 2.158 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2CC2CCN(CCN(C)C)CC2)CC1 1740699533 KSHOVBXSONGIBI-UHFFFAOYSA-N 483.636 2.025 30 10 JEEE C#CCN1CCN(c2nnc(CSc3ccccc3OC)n2CC(C)(C)C(=O)NCC)CC1 1740700194 JRBKWWSVAUDBBM-UHFFFAOYSA-N 470.643 2.497 30 10 JEEE C#CCSCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CC[C@](C)(C(N)=O)C1 1740716018 IWFPHPAKSBVLDX-DEOSSOPVSA-N 479.610 2.133 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(OC)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1740765954 FDNXJNVXCGELEQ-KUIWHINRSA-N 486.569 2.207 30 10 JEEE C=C(Cl)Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1740813570 COIJPFJJCACJEZ-OAHLLOKOSA-N 459.041 2.494 30 10 JEEE C=CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@H]1CCCS(=O)(=O)C1 1740893409 JBICCLMRHFJYDM-HNNXBMFYSA-N 450.561 2.418 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@H](C)[C@@H]1CC 1740990029 GIZKIIZTPSHDIG-APWZRJJASA-N 470.599 2.418 30 10 JEEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCO[C@H](C)C2)C1 1746536712 HUGMRYDRCVTERI-YVWKXTFCSA-N 458.588 2.150 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2CCS(=O)(=O)CC2CC2)c1 1748692820 PIGDYXUVTARBAL-UHFFFAOYSA-N 466.567 2.154 30 10 JEEE C#CCCCCn1c(N2CCCN(CC(=O)N3CCCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1748731242 YAZAEPYTQVRYHE-AREMUKBSSA-N 486.661 2.257 30 10 JEEE C#CCN(c1nnc([C@@H](C)CC)n1CCc1ccc(S(C)(=O)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1748804330 FWPLFBKRXRTVEX-PKOBYXMFSA-N 478.640 2.065 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccc(C)n3)n2C[C@@H]2NC(=O)CC2(C)C)n1 1748971612 WWVURDRHEDQLGF-NRFANRHFSA-N 476.585 2.046 30 10 JEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1749034040 VAUYZQKRYDZIMF-ZACQAIPSSA-N 462.620 2.335 30 10 JEEE C#CCSCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1749037170 BQRGEJJUWAQNDU-XMMPIXPASA-N 488.658 2.475 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1CC1(NC(=O)OC(C)(C)C)COC1 1749079806 AGAPGRDZGHLHJF-IUKKYPGJSA-N 475.590 2.288 30 10 JEEE C=C(Br)Cn1c(N2CCN(c3cnccn3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1749113059 TYDANPNSRROHJD-HXUWFJFHSA-N 478.395 2.344 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2nccc(OC)n2)CC1 1749114467 CUYNJZWRIRPENF-NQIIRXRSSA-N 498.632 2.303 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCS(=O)(=O)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1749141015 WMOVOJAGEZBIHN-OKYOBFRVSA-N 495.646 2.265 30 10 JEEE C=C(C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1749175904 UACIWTCLIFYGQK-UHFFFAOYSA-N 474.512 2.394 30 10 JEEE COCC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1749289828 BQOZNQMQMDVREX-UHFFFAOYSA-N 463.590 2.406 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1749655738 QQADFCPLJULFQB-NRFANRHFSA-N 481.557 2.059 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(c2ccc(F)cn2)CC1 1749672192 SFNKTQRJWAHGLE-UHFFFAOYSA-N 453.497 2.171 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCCN(c2ccccc2C#N)CC1 1749676609 WSTLLWDKOHHEOH-UHFFFAOYSA-N 456.554 2.154 30 10 JEEE COCCn1cc(Cn2c(C(=O)Nc3ccccn3)nnc2N(C)Cc2cccc(C#N)c2)cn1 1749852976 AJXDHHRXADAYTE-UHFFFAOYSA-N 471.525 2.325 30 10 JEEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC(C)(C)O 1752279846 AFKPJEMSSYPZSM-ZHALLVOQSA-N 468.606 2.344 30 10 JEEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1760161319 FBQFWDOCVQUHGE-ROUUACIJSA-N 480.635 2.282 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2COc3ccccc3O2)n1CC1CCS(=O)(=O)CC1 1760219785 NNPOONVMDWQCDQ-OAQYLSRUSA-N 454.552 2.078 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1(O)CCCCC1 1760247848 RQAXCYPQAISDPZ-UHFFFAOYSA-N 464.570 2.456 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCN(c2cnccn2)CC1 1760316736 WJGFVLVGHPTWBX-ZVDOUQERSA-N 457.579 2.100 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cc(C)cc(OC)c2)CC1 1760389966 XVQLTSDNAMSKAS-HXUWFJFHSA-N 461.588 2.133 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC2(O)CCN(C(C)C)CC2)C1 1760538792 WKJWCVQECALCQP-OFVILXPXSA-N 477.650 2.335 30 10 JEEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN([C@H]2C[C@H]3CC[C@H]2C3)CC1 1760559789 KTPDSSBYNCZWBO-XWSJACJDSA-N 468.693 2.118 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)[C@@H](C)N3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)cc21 1858630288 RIEZREKAPCQZLS-LJQANCHMSA-N 483.590 2.484 30 10 JEEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccc(F)cc1F 1862607413 NUMZJIDUZDOESI-HXUWFJFHSA-N 458.417 2.450 30 10 JEEE COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2CCNC(C)=O)cc1 1862757090 UQVMWIZQSGJECN-LJQANCHMSA-N 467.434 2.096 30 10 JEEE C=CCN(CC=C)c1nc(=NCCCN2CCOCC2)[nH]c(=Nc2ccc(OC)c(Cl)c2)[nH]1 1871677254 NDOIZSHQHQIRTB-UHFFFAOYSA-N 474.009 2.434 30 10 JEEE CC(=O)NCc1nnc(SCC(N)=O)n1/N=C/c1ccc(OCc2ccccc2C)cc1 1874432495 JBTXRSVAFHGSAT-OPEKNORGSA-N 452.540 2.261 30 10 JEEE CC(=O)NCc1nnc(SCC(=O)NCc2ccco2)n1/N=C/c1cc(Cl)ccc1O 1874433279 ISHBEKWUUAPFER-LIMNOBDPSA-N 462.919 2.157 30 10 JEEE CC(C)(C)OC(=O)NC[C@H](CO)NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)s1 2247824323 XEAKAMCQMDXXIA-LLVKDONJSA-N 460.789 2.316 30 10 JEEE CSC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2248395943 SPCLZHVWMFPZHW-LBPRGKRZSA-N 457.427 2.315 30 10 JEEE CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2248419940 KREIJJOIPNHAAO-LBPRGKRZSA-N 455.411 2.369 30 10 JEEE C[C@H]1CN(C(=O)OC(C)(C)C)[C@@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)s2)CO1 2256620359 HLGABINLSVAGJI-QWHCGFSZSA-N 453.370 2.405 30 10 JEEE CC1(C)OB(c2csnc2C(=O)NCC[C@H]2CN(Cc3ccccc3)CCO2)OC1(C)C 2267001130 HGLYGYPJTWSVDZ-SFHVURJKSA-N 457.405 2.463 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1COC[C@@H]1CNC(=O)OC(C)(C)C 2267127698 KXFGPSUGPHTXCI-KBPBESRZSA-N 467.397 2.020 30 10 JEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H](C)C1(O)CN(C(=O)OC(C)(C)C)C1 2267127816 UFPKIEZCWQJONA-CQSZACIVSA-N 466.409 2.456 30 10 JEEE CC1(C)OB(c2cc(C(=O)N3C[C@H]4[C@@H](C3)OCCN4Cc3ccccc3)ns2)OC1(C)C 2267145150 BMHPAZALIUAKOW-RBUKOAKNSA-N 455.389 2.168 30 10 JEEE CC1(C)OB(c2scnc2C(=O)NCC[C@@H]2CN(Cc3ccccc3)CCO2)OC1(C)C 2267171329 IOHKWSDIASRNEA-GOSISDBHSA-N 457.405 2.463 30 10 JEEE CC1(C)OB(c2cc(F)cc(F)c2S(=O)(=O)N(Cc2ccccc2)C2CNC2)OC1(C)C 2267470587 MUACRRPMELKWAV-UHFFFAOYSA-N 464.343 2.427 30 10 JEEE CC(C)(C)OC(=O)N1[C@H]2C[C@H]1CN(S(=O)(=O)c1ccc(B3OC(C)(C)C(C)(C)O3)cc1)C2 2267719239 AEBKOLGITQNUAS-IRXDYDNUSA-N 464.393 2.368 30 10 JEEE CC(C)(C)OC(=O)NCc1n[nH]cc1C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2268714968 NOUNZYMIMPRKQW-UHFFFAOYSA-N 463.369 2.120 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)[C@@]2(CCOC2)C1 2281800200 GBOWUIXIDZOZKC-FPTDNZKUSA-N 479.408 2.341 30 10 JEEE CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1CCNC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2281925272 XJLQGUBTFABQGK-CYBMUJFWSA-N 470.326 2.474 30 10 JEEE Cn1cc(C(=O)N2CC[C@H]3CCN(C(=O)OC(C)(C)C)[C@@H]3C2)c(B2OC(C)(C)C(C)(C)O2)n1 2281959547 NYDWWASBCLORPA-DOTOQJQBSA-N 460.384 2.191 30 10 JEEE Cc1nsc(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 2281974696 YJSAEBSUHSIYSZ-XZDPQHSOSA-N 479.408 2.161 30 10 JEEE Cc1nn(C)c(C(=O)N2CCN(C(=O)OC(C)(C)C)C(C)(C)C2)c1B1OC(C)(C)C(C)(C)O1 2281977502 QHROBFUYHGHQRY-UHFFFAOYSA-N 462.400 2.499 30 10 JEEE COc1cccc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1(CNC(=O)OC(C)(C)C)COC1 2282002801 TZNIPZDWNINYEG-UHFFFAOYSA-N 462.352 2.018 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CSCCN(C(=O)OC(C)(C)C)C1 2282004676 LBJKPDBBVZVNIY-HNNXBMFYSA-N 480.440 2.110 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]1C[C@H]2NS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282288918 TVQIQEWMARCMAL-KURKYZTESA-N 479.408 2.057 30 10 JEEE C[C@H]1CCN(S(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C[C@H]1NC(=O)OC(C)(C)C 2282350567 OVINTRVONQALCG-MAUKXSAKSA-N 481.424 2.305 30 10 JEEE CC1(C)OB(c2scnc2C(=O)NC[C@]23CN(Cc4ccccc4)C[C@H]2CCO3)OC1(C)C 2282522052 FODIDUFCSRJDHS-KOSHJBKYSA-N 469.416 2.463 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2C[C@](F)(CNC(=O)OC(C)(C)C)C2)n1 2282551148 BIIWVCDFMLUAAU-XLOAEROZSA-N 466.363 2.092 30 10 JEEE Cn1cc(C(=O)NC[C@@H]2C[C@H]3[C@H]2CCN3C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2282580914 ZYGGRGMREUZOBE-ZOBUZTSGSA-N 460.384 2.095 30 10 JEEE 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]1C 2282581598 KBHXBTQAWICMIZ-GDBMZVCRSA-N 462.400 2.403 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)[C@H](CO)C1 2282592928 JYIUAGQADJOFME-GJZGRUSLSA-N 481.424 2.098 30 10 JEEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)C1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2282625453 VQJCOLGNNCYCOB-GJZGRUSLSA-N 462.400 2.341 30 10 JEEE Cc1cccc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H](O)C2)c1B1OC(C)(C)C(C)(C)O1 2282648913 UBYJICUINLTUMU-QGZVFWFLSA-N 460.380 2.348 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(CCNC(=O)OC(C)(C)C)C[C@@H](C)O)n1 2285349327 DSNXEOCRYNVPDS-MRXNPFEDSA-N 463.384 2.037 30 10 JEEE CCCn1c(N2CCN(CC)CC2)c(C=C2SC(=S)N(CCOC)C2=O)c(C)c(C#N)c1=O 2314460723 DSZNKPHCFUYRPI-UHFFFAOYSA-N 489.667 2.428 30 10 JEEE C[C@@H](C#CC(=O)NC[C@@]1(O)C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C 2318687469 HIRSTIBQLARUFD-ZDPRRSKRSA-N 451.564 2.312 30 10 JEEE COc1ccc(C=NNc2cnn([C@H]3CCS(=O)(=O)C3)c(=O)c2Cl)cc1Br 2322615776 XJVZUIKOJIIQCR-NSHDSACASA-N 475.752 2.473 30 10 JEEE CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1CCc2scc(B3OC(C)(C)C(C)(C)O3)c2C1 2336499445 YELGUICERPPPJY-INIZCTEOSA-N 466.409 2.208 30 10 JEEE CC(C)(C)OC(=O)N1CC(OCCNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)c(F)c2)C1 2362203028 WKSFPRZVDBVZBD-UHFFFAOYSA-N 464.343 2.491 30 10 JEEE COc1ccc(NC(=O)CSc2nnc(N/N=C/c3ccccc3OC)n2N)c(OC)c1 21319700 AIUBGBALMWQTLQ-SSDVNMTOSA-N 457.516 2.195 30 10 JEEE COc1ccc(OC)c([C@@H]2/C(=C(/O)c3ccncc3)C(=O)C(=O)N2CCCN2CCOCC2)c1 102502272 NSDWQOWFQBNWOT-RKKARLDVSA-N 467.522 2.243 30 10 JEEE COC(=O)c1[nH]c(C)c(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(C)cc2)c1C 103090471 YVMXKOLRQGLCHE-LAGVDGIJSA-N 481.549 2.480 30 10 JEEE CCCCCCCCO[C@@H]1O[C@H]([C@H](COC(C)=O)OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 110346224 YQYGIWWSRQRBBQ-LILSUDLASA-N 460.520 2.447 30 10 JEEE C=CCN(c1ccccc1OC)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H](C)C(N)=O)c1 115336505 GJWWYEJDURFPIA-CYBMUJFWSA-N 451.932 2.334 30 10 JEEE C=CCn1c(=O)c2ccccc2n2c(=S)n(CN3CCC(CC(=O)N4CCN(C)CC4)CC3)nc12 731354565 PWJAQKUJDUXPEF-UHFFFAOYSA-N 495.653 2.200 30 10 JEEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1CN(CC(F)(F)F)C[C@H]1c1ccccc1 1142122927 AWCZDVAPMUXAGF-UIAACRFSSA-N 480.512 2.372 30 10 JEEE C=CCn1c(SCC(=O)N2C[C@@H](O)C[C@H](C(=O)OC)C2)nnc1-c1ccc(Cl)cc1 1144923752 VLCUZMGLJPBGAQ-HOCLYGCPSA-N 450.948 2.259 30 10 JEEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@H](C)CN1CCOCC1 1286369759 VWSHGPJKSGMDAV-LJQANCHMSA-N 463.586 2.103 30 10 JEEE C#CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(N2CCOCC2)CC1 1286373302 DJZVSGRPELUKQX-LJQANCHMSA-N 458.607 2.327 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H](c1ccsc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1286386533 CFKLUCFTTOBXCM-UXHICEINSA-N 470.624 2.331 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC(C)(C)CN(C)C)[C@H]1CCS(=O)(=O)C1 1286398124 GQSUCLHDKVFQPW-XUVXKRRUSA-N 479.691 2.411 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(Br)cc2)n1CCN1CCCS1(=O)=O 1286420476 HHCNJKDZYKUXSE-UHFFFAOYSA-N 476.400 2.206 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CC[C@@H](OC)C(F)(F)F)CC1 1286489892 HFFARCFTVCWEON-QGZVFWFLSA-N 452.481 2.217 30 10 JEEE C#CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@H](NC(=O)CC)C1 1286503625 IVZNMRUOCIMPQW-KRWDZBQOSA-N 489.671 2.100 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1286547374 OKVRJHRZRVOBMC-UFYCRDLUSA-N 456.595 2.447 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1286561247 AOGYUHMRTGXYNP-TZIWHRDSSA-N 486.642 2.085 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1286587950 VUDZTIQLWVMQAW-GOSISDBHSA-N 460.604 2.267 30 10 JEEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC2(CCC2)C[C@H]1CC 1286710861 FIVBLZQAQHPORB-MOPGFXCFSA-N 467.636 2.363 30 10 JEEE C=CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCNC(=O)c1cc[nH]n1 1286725617 XFNHITCRLPSIRC-INIZCTEOSA-N 458.567 2.168 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC[C@@H](c2noc(C(C)C)n2)C1 1286789575 HWZXZNQJFMZPOX-GOSISDBHSA-N 450.547 2.457 30 10 JEEE C=CCSCCn1c(Cc2ccncc2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1286833752 NRFCULOSLZPOAF-UHFFFAOYSA-N 456.616 2.258 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCc1ccc(Br)s1 1288168766 AICUETMJLVYQJJ-LBPRGKRZSA-N 453.366 2.212 30 10 JEEE Cc1cc(C(=O)N2CCN([C@@H](C#N)C(C)C)CC2)c(C)n1Cc1ccc(S(N)(=O)=O)cc1 1292702287 ARGFMXAGNVDVOZ-QFIPXVFZSA-N 457.600 2.107 30 10 JEEE C=C(C)Cn1c(SCC(=O)N[C@@H]2CCC[C@@H]2CNS(C)(=O)=O)nnc1-c1ccco1 1296831407 HGNBDHJRULLCEI-HUUCEWRRSA-N 453.590 2.040 30 10 JEEE COC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)N2CCOCC2)C1 1299349857 FYIPWBZDQIUCOS-HXUWFJFHSA-N 482.585 2.229 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@]1(N(C)C)CCSC1 1300306951 ATXBOPNQGWKMFA-FDDCHVKYSA-N 454.648 2.347 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1CC(=C)Br)[C@@H]1CCS(=O)(=O)C1 1300489825 TUGQTENOCZWSMO-OAHLLOKOSA-N 495.399 2.498 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1CCCOC(F)F)[C@@H]1CCS(=O)(=O)C1 1300499026 ORSHFCRBOCEPED-MRXNPFEDSA-N 456.490 2.264 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H](C)N1CCOCC1 1300595492 CDTQPDSUTLIONS-PCCBWWKXSA-N 470.618 2.232 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1CCN1CCOC(C)(C)C1 1300649819 WSQVZVDZDUMQPP-HXUWFJFHSA-N 454.550 2.119 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(OC)cc2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1300654852 JNBDLOHKZUPIIF-RBBKRZOGSA-N 487.626 2.244 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3)n2CCCN(C)CCOC)CC1 1300688111 ARYNMXDSCYVSJM-UHFFFAOYSA-N 475.435 2.431 30 10 JEEE C#CCN1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2C[C@H](OC)C(C)(C)C)CC1 1300695542 DEAVDEHYYQFQSB-IBGZPJMESA-N 473.647 2.055 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2ccc(C=C)cc2)CC1 1300726827 RQGUDVYFGCUQLX-JOCHJYFZSA-N 481.622 2.032 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C)CN1CCOCC1 1301340267 XUIMDFIATFQRII-UGKGYDQZSA-N 463.586 2.262 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1301481473 MDUQLRCKAXTNDZ-BXKMTCNYSA-N 484.557 2.150 30 10 JEEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CCC(N2CCCNC2=O)CC1 1301509846 ODYMZCRKMDTFKZ-UHFFFAOYSA-N 465.602 2.140 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1301586944 PWVPKCUBZXPTAS-NRFANRHFSA-N 481.644 2.009 30 10 JEEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](c2cccc(OC)c2)c2cc(F)ccc2OC)C1=O 1355405352 MPDUYBCYTIXGCR-FQEVSTJZSA-N 455.442 2.025 30 10 JEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1358934347 YIOVAVAJBFTZRB-SFHVURJKSA-N 453.572 2.093 30 10 JEEE C#CCCCn1c(COc2ccccc2OC)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1358934752 MDVKFBYIHHPJMH-UHFFFAOYSA-N 461.588 2.139 30 10 JEEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1CCCC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1358956137 AWXXCMTYAKLDKH-NHCUHLMSSA-N 471.627 2.315 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC1(O)CC1)[C@H]1CCS(=O)(=O)C1 1358956632 IRQMJONDOVYJQD-RDJZCZTQSA-N 464.975 2.223 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCC(=O)N1CCCCCC1)[C@H]1CCS(=O)(=O)C1 1358957789 AIHIORXYKHFRKW-QFIPXVFZSA-N 494.621 2.236 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccccc2Br)n1CC(=O)N1CCOCC1 1358990453 OSLVVUOXENJFJF-UHFFFAOYSA-N 456.344 2.029 30 10 JEEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)CCC1CCOCC1 1359076390 ANAGCPCWYSZHMH-ZDUSSCGKSA-N 450.403 2.050 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC=CCO1 1359256299 BCYDUOABZCPCDU-FCHUYYIVSA-N 498.609 2.020 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCN1S(C)(=O)=O 1359260267 YQAKXGNKZKNORC-LJQANCHMSA-N 490.605 2.270 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1359292527 RKEWNYQSPJYMOO-QGZVFWFLSA-N 498.975 2.239 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1359294074 JHQKSAQSPRKUCA-UHFFFAOYSA-N 486.573 2.322 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2Cc2nncn2C)C1 1359319649 CICBCOQNWZMZAE-SFHVURJKSA-N 472.594 2.351 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN2CCCC(C)(C)C2)C1 1359321688 KJQTZDXNYFFUAK-MOPGFXCFSA-N 451.637 2.084 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(CC(C)C)C(=O)C1 1359330849 FIMIZYAVCYZHDM-UHFFFAOYSA-N 484.626 2.342 30 10 JEEE C#CC[C@H]1CCCN(CC(=O)N(CC(C)C)c2c(O)nc(=O)n(Cc3ccccc3)c2N)C1 1460291353 WKNUDFDWRFUVQD-IBGZPJMESA-N 451.571 2.304 30 10 JEEE C#C[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1OCC)c1ccc(F)cc1 1460789370 MILDMVUNKNYYHV-OAQYLSRUSA-N 459.543 2.265 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OCCCC)c(OC)c3)n2C[C@H]2COCCO2)CC1 1507722875 MKRRCFRWEVNDMY-NRFANRHFSA-N 469.586 2.303 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC(=O)NCC2CC2)CC1 1507735853 IKTVHGVOLPYRCQ-KRWDZBQOSA-N 482.560 2.049 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1CC[C@H](CO)O1 1507761999 QYDGPGAMALUDBC-YCRNBWNJSA-N 457.962 2.394 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCN(S(=O)(=O)Cc3ccon3)CC2)nnc1C(C)(C)C 1507808489 GXVQKJBQWRGLRO-HKUYNNGSSA-N 478.619 2.197 30 10 JEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1507843839 VXFMWFLHGWATGI-FGTMMUONSA-N 460.579 2.125 30 10 JEEE C=C(C)COCCn1c(N2CCO[C@@H](COC)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1507849151 SFCMNFLQMDVQCN-CEXWTWQISA-N 465.595 2.493 30 10 JEEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCCOc1ccccc1 1507869093 RHOCISOAQOCDKV-GOSISDBHSA-N 469.995 2.269 30 10 JEEE C=CCN(c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCN1CCOC(C)(C)C1)C1CC1 1507988929 TZTBOPWFLKTCMO-UHFFFAOYSA-N 488.658 2.461 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CCC(CO)CC1 1508074182 QVTAHYFCQDMMSX-UHFFFAOYSA-N 464.364 2.227 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N(CC)Cc1nc(O)c2sccc2n1 1508084214 JYLOOWGZCRYMPJ-UHFFFAOYSA-N 464.555 2.303 30 10 JEEE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3cccc(C#N)c3)n2CCCCN2CCC[C@H]2CO)C1 1508188885 URXGMPYGEMTQCQ-VWNXMTODSA-N 479.629 2.358 30 10 JEEE C#CCC1(C(=O)N2CCN(S(=O)(=O)c3c(C)oc(C)c3C(=O)OC)CC2)CCCCC1 1525320694 YODRVRPAUSPHNT-UHFFFAOYSA-N 450.557 2.490 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C)CN2CCCC2)c1 1539042363 FIIXOMMQVYAAJU-RXVVDRJESA-N 463.586 2.017 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H]1CCCN1S(C)(=O)=O 1539306828 LCMXNUXDGGOLSB-GOSISDBHSA-N 476.002 2.494 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCC(C)CC2)nc1 1539323004 BZEPVGYBKWAJEE-QFIPXVFZSA-N 480.638 2.323 30 10 JEEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(CS(C)(=O)=O)cc1 1539333565 GHLMLLJWZLTKAL-UHFFFAOYSA-N 464.595 2.196 30 10 JEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CCOc1ccc(F)c(F)c1 1539414313 URCJNCOPTWBLIF-UHFFFAOYSA-N 459.453 2.449 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cn4ccccc4n3)n2CC[S@](=O)C(C)(C)C)CC1 1539484057 ARGHPIPOJFKKJM-DHUJRADRSA-N 495.653 2.030 30 10 JEEE C=C(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1539691145 LBITYKBMOFRRAS-HXUWFJFHSA-N 456.572 2.024 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCN1CCCS1(=O)=O 1540071788 NGSRXFDKQPCBAY-QGZVFWFLSA-N 468.624 2.050 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCOC(C)(C)C1)C(C)C 1540152369 SPZJCDCGMZPTLG-WOJBJXKFSA-N 465.664 2.494 30 10 JEEE C=CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 1540853414 HOXSKUXLRBGMKI-FQEVSTJZSA-N 490.630 2.210 30 10 JEEE C=CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1540853581 BNCJSQNWCTUVCL-MRXNPFEDSA-N 489.577 2.296 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccco1 1540880627 MFCSICKQEUJMKJ-OAQYLSRUSA-N 487.582 2.454 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCC[C@H](NC(=O)CC)C1 1540898201 CKZVOYDZFIEMQR-SFHVURJKSA-N 461.588 2.050 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1540905990 XZKPECMJDPEHHS-SFHVURJKSA-N 475.590 2.104 30 10 JEEE C[C@H]1CCCN([C@@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(S(C)(=O)=O)CC2)C1 1544057363 AJXYGQZFIJYMCI-OALUTQOASA-N 471.631 2.019 30 10 JEEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2Cc2cc(Br)ccc2OC)CCOC1 1547918457 FNHRUAMIWNNZEX-DYESRHJHSA-N 492.374 2.478 30 10 JEEE CO[C@@H](Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@](F)(C#N)C1)C(C)C 1554635325 DSFSWHANSRUTEA-RXVVDRJESA-N 464.567 2.308 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC=C)Cc1cccc(C#N)c1 1587861335 KBHOJOYOLIRODZ-NRFANRHFSA-N 468.583 2.089 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3nn(CCC)c(=O)c4ccccc34)n2CCCOC)CC1 1588923945 RIMRDKCTUCWSHE-UHFFFAOYSA-N 491.596 2.067 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC)n2Cc2cccc(CN3CCO[C@@H](C)C3)c2)CC1 1588947774 WMLPIDFGWZGUAW-FQEVSTJZSA-N 464.614 2.075 30 10 JEEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(N(C)C(C)=O)CC1 1589005905 AICRFTZFGJEOOL-UHFFFAOYSA-N 475.640 2.162 30 10 JEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ncnc3ccsc23)CC1 1594681241 ZXPUNVCGHAAYMR-HNNXBMFYSA-N 476.632 2.186 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCCN(Cc2ccc(OC)cc2)C(=O)C1 1595501120 MQBMSJIQXMBUQC-UHFFFAOYSA-N 478.553 2.396 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@H](C(=O)NCCCC)C1 1595550207 ADZASSWURVGMTF-GHTZIAJQSA-N 482.585 2.226 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC[C@H](C(N)=O)C2)cc1 1595607097 ADSPNQFKLYEGBT-SFHVURJKSA-N 461.526 2.240 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCO[C@H](CCc2ccccc2)C1 1595798176 NABUDJHGDLEIMZ-LEWJYISDSA-N 460.600 2.221 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1595831928 ZPMOSFYHCTXDPG-MSOLQXFVSA-N 463.579 2.270 30 10 JEEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(C(N)=O)CCOCC2)C[C@H](C(F)(F)F)O1 1612908783 AYKJVRQNUVRVIY-WMLDXEAASA-N 478.475 2.255 30 10 JEEE CCOc1ccccc1OCc1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H](C)N1CCOCC1 1616473005 FDAVDONFJVZFRP-MBSDFSHPSA-N 458.538 2.418 30 10 JEEE Cc1c(Br)c(C)n(NC(=O)[C@H]2CCCN(C(=O)N3CCCC3)C2)c(=O)c1C#N 1641510546 DMOBOYURMRRNNG-AWEZNQCLSA-N 450.337 2.097 30 10 JEEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCCN(c2nccc(OCC)n2)CC1 1689873188 APFCHSWOLJHIKF-UHFFFAOYSA-N 466.590 2.223 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1OCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1689982205 JIRYPMXLTKJRJS-RXVVDRJESA-N 488.610 2.404 30 10 JEEE C#CCN(c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCCC)[C@H]1CCS(=O)(=O)C1 1689991341 ZWIVLGJQUNTUNH-OALUTQOASA-N 495.646 2.403 30 10 JEEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1Cc1ccc(C)cc1O[C@@H]1CCOC1 1690052193 COWHDYNSKSBSIP-JOCHJYFZSA-N 461.566 2.388 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCCN1CCOC1=O 1690073980 NWJAUXUOOAQUFI-UHFFFAOYSA-N 463.542 2.367 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1CCN(Cc2ccccc2)CC1 1690104158 OFRJBVLDBBNENH-QHCPKHFHSA-N 485.654 2.178 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cc(C)no2)CC1 1690152489 NAEMZNQDOZPPIJ-UHFFFAOYSA-N 459.510 2.039 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)Nc1ccccc1CC 1690175033 ORVSZHKBFSSZCF-GOSISDBHSA-N 475.640 2.184 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C 1690190308 QVIRZNLPZZTYRW-HYFFOGBASA-N 482.651 2.383 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1690251485 VUDUUBGUNSHIJZ-AYBZRNKSSA-N 451.618 2.238 30 10 JEEE C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1C[C@@H](C(=O)OC)[C@H](CNC(=O)OC(C)(C)C)C1 1690463292 YTVVUMPNJXAPFN-KZNAEPCWSA-N 490.605 2.336 30 10 JEEE C=CCNC(=O)Cn1c(N(C)Cc2ccc3cnccc3c2)nnc1[C@@]1(OCC)CCOC1 1690676836 FZXBNVKLZGZWIW-XMMPIXPASA-N 450.543 2.417 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccc(Cl)cc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1690677517 YUZZSIPWPIRMCV-PBHICJAKSA-N 460.991 2.241 30 10 JEEE C=CCOc1ccccc1Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1690682418 OGHDQSBFZQVFHJ-IBGZPJMESA-N 499.641 2.400 30 10 JEEE C=CCOc1ccccc1Cn1c(CN2CCCC2=O)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1690683569 OHJDDWYKECCXIO-IBGZPJMESA-N 473.599 2.027 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccnc2OCC(F)(F)F)C1 1690697574 XZNUARAPEOXQHG-CVEARBPZSA-N 466.464 2.395 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCCOC)C1 1690699939 LNLHUYBBCCCJMS-ZWKOTPCHSA-N 451.568 2.404 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Br)nnc1N1CC[C@H](C(=O)OC)C1 1690720423 ISYOGEGWNHYLCM-AWEZNQCLSA-N 483.388 2.308 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(=C)CC1 1690724379 NQAUZCZEJMRTDC-GOSISDBHSA-N 481.619 2.344 30 10 JEEE Cc1cccc(-c2nnc(N3CCN(c4ccc(C#N)cc4F)CC3)n2CCC(=O)N(C)C)n1 1693196125 IFZBTHDHPDWTST-UHFFFAOYSA-N 462.533 2.464 30 10 JEEE N#C[C@@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(OCC(F)(F)F)nc2)C1 1698483525 DWMKXUHEUWSBHK-KDOFPFPSSA-N 488.467 2.007 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCO[C@@H]2C(=C)C)c1 1705506592 BXYKMJDGUOXKQZ-MIZPHKNDSA-N 497.621 2.218 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1Cc1ccc2ncccc2c1)[C@H]1CCS(=O)(=O)C1 1705558989 NRZIKTWUIBMGFJ-NRFANRHFSA-N 494.621 2.420 30 10 JEEE C#CCN(c1nnc(-c2nnc(O)c3ccccc23)n1CCC(C)C)[C@H]1CCS(=O)(=O)C1 1705564736 CKKVFXOMZHCVEX-INIZCTEOSA-N 454.556 2.267 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1CCc1nnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1705568251 JUJSPBMLSAPYSJ-GOSISDBHSA-N 486.623 2.195 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@H]1CCCN1CC)[C@@H]1CCS(=O)(=O)C1 1705571325 YPRXSTVRDAWTNC-FGZHOGPDSA-N 455.628 2.174 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@@]1(O)CCN(C)C1 1705593473 RGJFOZFFRVNKBR-JOCHJYFZSA-N 472.387 2.246 30 10 JEEE C#CCN(CC#CC)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCS(=O)(=O)C1 1705601684 RJUPVVVPNPBHOM-FQEVSTJZSA-N 451.552 2.016 30 10 JEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccnc(SCC)c2)CC1 1705642112 HKSGGHQEYYDHBB-UHFFFAOYSA-N 450.616 2.450 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@@H](C)c2nc(C)cs2)CC1 1705647091 AAVPXMOBDZJKBX-OAHLLOKOSA-N 450.572 2.270 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC(C)C)cc1 1705674558 LURITBIPCHWWDE-ZJSXRUAMSA-N 487.626 2.439 30 10 JEEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)CC(=O)Nc1cccc(Cl)c1 1705747142 GSGGNCRSYYLLMF-GFCCVEGCSA-N 461.375 2.369 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](CC)c2ccccc2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1705930322 KUNWLCKQTIGXSL-WMZHIEFXSA-N 457.600 2.280 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1705935383 PMKFICBJBRTZEZ-UXHICEINSA-N 460.600 2.341 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H](n2cncn2)C1 1705935497 SZXWTEIEGSLVJF-LJQANCHMSA-N 459.551 2.042 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1705937628 ZMNNBVXHSZKGOB-FQEVSTJZSA-N 462.620 2.406 30 10 JEEE CCC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1709441889 DUEQWAMSVKSNAO-NZQKXSOJSA-N 472.615 2.372 30 10 JEEE CCn1cnnc1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(F)(F)F)CC1 1710198552 BXBKYKBGLCNISO-UHFFFAOYSA-N 475.479 2.073 30 10 JEEE C#CCN(c1nnc(-c2ccc(OCC)c(OC)c2)n1Cc1cc(C)nn1C)[C@@H]1CCS(=O)(=O)C1 1722360825 CCIVHPOHJJWYPE-LJQANCHMSA-N 498.609 2.069 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1ccc(F)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1722365305 DBHUEIJQDOQQAM-APWZRJJASA-N 450.511 2.473 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CC(C)(C)COC)[C@H]1CCS(=O)(=O)C1 1722369964 JQRCAYLMPPCWTM-IBGZPJMESA-N 460.600 2.465 30 10 JEEE C#CCN(c1nnc(CSc2ccc(C)cc2)n1CC[C@@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1722371217 UWCXFSATRKCGFH-WOJBJXKFSA-N 490.651 2.311 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCC[C@@H]1C 1722382492 AIWCTRLRZXIKJT-PMACEKPBSA-N 456.591 2.144 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2C[C@H]2CCN(CCC)C2)CC1 1722441695 OKXNRJGSAUZYNZ-NRFANRHFSA-N 452.603 2.353 30 10 JEEE C=CC1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCS(=O)(=O)CC)CC1 1722576781 TYGJVBQHPIJAOM-UHFFFAOYSA-N 481.644 2.033 30 10 JEEE C=CC[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(C)=O)CC1)c1ccccc1 1722595046 SPWKNRJRRUEILV-PXNSSMCTSA-N 474.631 2.353 30 10 JEEE C=CCCOCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1722625748 WWBDAXAGZNZLIY-RBUKOAKNSA-N 451.579 2.432 30 10 JEEE C=CCNC(=O)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1722688326 BOQBRNVFRVBNAO-QZTJIDSGSA-N 496.593 2.039 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCCN(C(C)=O)CC1 1722724407 WAQVMKLIJNRXHA-UHFFFAOYSA-N 482.610 2.461 30 10 JEEE C=CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@H](S(C)(=O)=O)C1 1722739794 IPGYQBGSQLSJSG-AWEZNQCLSA-N 460.585 2.136 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CC(F)(F)CO2)c1 1740562883 RUZDDUMNJQNKIO-SFHVURJKSA-N 495.490 2.406 30 10 JEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1C[C@H]1CC=CCO1)[C@H]1CCS(=O)(=O)C1 1740625125 OEHHGJCQDQMUKY-RBBKRZOGSA-N 470.595 2.044 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2Cc2cscc2C)CC1 1740698123 SUYPZMBCAXLWRB-UHFFFAOYSA-N 484.651 2.369 30 10 JEEE C#CCN1CCN(c2nnc(CSc3ccccc3OC)n2CCC2(O)CCOCC2)CC1 1740700650 YKVUCNDJNTVIKZ-UHFFFAOYSA-N 471.627 2.266 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N1CCOCC1 1740935279 GWCFYSRGYWJFBI-IRLDBZIGSA-N 473.643 2.136 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1740963351 IKZCTZYIORFDLA-AZUAARDMSA-N 466.586 2.306 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1740964836 VQZGUFQQVKLMCJ-UHFFFAOYSA-N 480.529 2.414 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC(N2CCNC2=O)CC1 1740964853 WIFBCHUYYHCCKL-UHFFFAOYSA-N 495.628 2.451 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1740990085 IANSRIORUYXKFV-MRXNPFEDSA-N 472.537 2.322 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]1c1ccc(C)cc1 1740992262 NRJQVPHRZIYXBL-UXHICEINSA-N 478.640 2.431 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccnc(N2CCCCC2)c1 1741131972 IECYUWQHRKDRJW-IEBWSBKVSA-N 457.604 2.210 30 10 JEEE Cc1c(Cn2c(COc3ccc(Br)cc3)nnc2N2CCO[C@H](C#N)C2)cnn1C 1742082284 HVHYCYOBNGCBFM-GOSISDBHSA-N 472.347 2.439 30 10 JEEE CN(c1nnc(COc2ccc(C#N)cc2)n1CC[C@@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1747656031 FSMRGNMWZLINRT-MOPGFXCFSA-N 459.572 2.311 30 10 JEEE CN1CC[C@@](O)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](OCC(F)(F)F)C2)C1 1748049959 GPJYPCHYXQFKGD-RXVVDRJESA-N 464.492 2.431 30 10 JEEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1748729950 ACXDUUVDWTYCNF-UHFFFAOYSA-N 453.444 2.361 30 10 JEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1c1ccc2c(c1)OCCO2 1748732360 YTDDTUJSXZXOMA-WMZOPIPTSA-N 459.572 2.414 30 10 JEEE C#CCN(c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H](C)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1748811394 GCISYFROMSQPFD-NZQKXSOJSA-N 495.653 2.488 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1oc(CCC)nc1C)[C@@H]1CCS(=O)(=O)C1 1748816921 BAOKGKKZYVRCRR-QZTJIDSGSA-N 461.588 2.096 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1Cc1nnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1748823804 BRSVLSIOODQMIC-QGZVFWFLSA-N 472.596 2.000 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1CCN(C)C1CCCC1)[C@H]1CCS(=O)(=O)C1 1748824931 UDRPOGNEVXUZIJ-FQEVSTJZSA-N 489.617 2.497 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCC(=O)N1CCCCC1 1748887133 UZLMGSRMGGRKSW-UHFFFAOYSA-N 481.626 2.104 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2ccccc2C)CC1 1748892143 JOPXZXVBJJRNOA-QFIPXVFZSA-N 481.622 2.114 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@@]2(O)CCOC2)CC1 1748999495 YLYLMRVJZXQASD-NRFANRHFSA-N 466.369 2.071 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H](C)Oc2cccc(F)c2)CC1 1749010747 WKQXKFLIGULINC-MJGOQNOKSA-N 455.534 2.354 30 10 JEEE C#CCSCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCNC(=O)[C@H]1CC 1749032854 RTFJGNXRNHHBDZ-LJQANCHMSA-N 479.610 2.317 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1749147061 YAFXANBXGSSROT-QGZVFWFLSA-N 481.644 2.033 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1749175303 CZKFINXDPDIITH-RBUKOAKNSA-N 458.588 2.019 30 10 JEEE C=C(C)COCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H]1CCOC1 1749230600 ZWAZJDYPXWRFGI-QZTJIDSGSA-N 451.568 2.404 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC(c2ccccc2)CC1 1749721542 NFUVFCNJKNYIMF-UHFFFAOYSA-N 457.600 2.499 30 10 JEEE C=CCS(=O)(=O)CCn1c(Nc2cnn(C)c2)nnc1C1CCN(C(=O)OC(C)(C)C)CC1 1749741362 ZGGMRYOBMBXPMQ-UHFFFAOYSA-N 479.607 2.471 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1Cc1nc(C(F)(F)F)cs1 1751207144 AKUCMQZJLKMLIU-JTQLQIEISA-N 463.511 2.152 30 10 JEEE CC1CCN([C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(OCC(N)=O)CC2)CC1 1752200046 AEJVRKQRSZDEHB-LJQANCHMSA-N 465.602 2.408 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@H]1CC(=O)N(CCOC)C1 1760111765 SRJIKTNJFFYMPF-RBUKOAKNSA-N 491.596 2.189 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCn1ccc2ccccc21 1760118073 XRVPKXVMIOLYOQ-GHTZIAJQSA-N 470.599 2.114 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)Oc1ccc(Cl)cc1 1760118093 XYHBLAGLTAOOSG-BXWFABGCSA-N 482.006 2.190 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1760182829 JMRZGQKBEVAVIS-INIZCTEOSA-N 495.005 2.145 30 10 JEEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](CC)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1760186359 MMGQGIFHZZEGPM-NRSPTQNISA-N 490.651 2.001 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(OC)c(OC)c1Cl 1760206072 QGYZWVJOPCIANC-QGZVFWFLSA-N 476.986 2.166 30 10 JEEE C=C1CCN(c2nnc(-c3ccccc3Br)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1760386119 LNNXNZQUZASMMY-IBGZPJMESA-N 467.389 2.414 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCS(=O)(=O)c2ccccc2)CC1 1760402312 JYTSGMBPSZGWSZ-IBGZPJMESA-N 478.640 2.447 30 10 JEEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1760427958 MDGSCJKWXZWBOK-QZTJIDSGSA-N 479.607 2.043 30 10 JEEE C=CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1760442922 XRMDZKDNVJBFQA-UHFFFAOYSA-N 463.586 2.439 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(=O)Nc2ccccn2)n1Cc1cnnn1C 1760478045 SGUFRJRWJQKWQV-UHFFFAOYSA-N 459.514 2.303 30 10 JEEE C=CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1760506248 YAQPEEPXUVMLGX-UHFFFAOYSA-N 493.612 2.274 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@H]1C[C@H](OCC)C12CCC2 1760517213 GPKCGZUNFSCURF-PMACEKPBSA-N 487.626 2.435 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 1760519527 HKHHFAFGGAGQBH-FQEVSTJZSA-N 486.642 2.387 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1760560128 YPOSQUMESHSFDO-LRSLUSHPSA-N 485.610 2.346 30 10 JEEE CC(=O)NC1CCC(N(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)N2CCOCC2)CC1 1760633495 HAHNJUXKDGIXML-NWLLBJEDSA-N 465.602 2.421 30 10 JEEE CCc1nc(C)c(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)Cc2ccc(C#N)cc2)o1 1764604601 HIWMMSKALOLLLN-HNNXBMFYSA-N 457.560 2.304 30 10 JEEE CCN(c1nnc(COc2ccc(C#N)cc2)n1CC1([S@](C)=O)CCC1)[C@@H]1CCS(=O)(=O)C1 1764823325 HCPYLBSZBAHEMV-CVCYQNGTSA-N 491.639 2.043 30 10 JEEE CCO[C@]1(c2nnc(N(C)Cc3ccc(C#N)cc3)n2CCN2CCOC[C@@H]2C)CCOC1 1767388124 CRVIDULBXYIBCO-YADARESESA-N 454.575 2.159 30 10 JEEE CCOCc1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1CCN1CCOC[C@H]1C 1767855809 CJVBFUREJVIMJN-LJQANCHMSA-N 454.575 2.455 30 10 JEEE COc1ccccc1-c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCCC(=O)N(C)C 1770407585 HQPXLNUKTYJKAL-GOSISDBHSA-N 489.584 2.199 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1772660006 SITIDMCOPKBGKJ-IIBYNOLFSA-N 482.006 2.369 30 10 JEEE C=CCOc1ccccc1OCC(=O)N1CCN(C2=NS(=O)(=O)c3ccccc32)C[C@@H]1C 1869927103 QHEVLBXZUFXAEM-KRWDZBQOSA-N 455.536 2.312 30 10 JEEE CC(=O)NCCn1cc(OCc2n[nH]c(=N)s2)c(=O)cc1CSc1nc(C)c(C)c(C)c1C#N 1870307409 MDMRKDQINCQRPW-UHFFFAOYSA-N 499.622 2.312 30 10 JEEE C=CCn1cc(OCC(=O)OCc2ccccc2)c(=O)cc1CN1CCN(C(=O)OCC)CC1 1870617367 KCULJCYQGAEIFL-UHFFFAOYSA-N 469.538 2.431 30 10 JEEE COC(=O)CSc1nnc([C@H]2CC(=O)N(c3ccc(OC)cc3)C2)n1/N=C/c1cccn1C 1874200992 OZXPFJYYRTUYDR-GIEPYWIESA-N 468.539 2.293 30 10 JEEE CC(C)N1C[C@@H](c2nnc(SCC(=O)NCc3ccco3)n2/N=C/c2ccc(O)cc2O)CC1=O 1874333810 YNHOKXMPZFNWCC-HWYIRHLISA-N 498.565 2.297 30 10 JEEE CC(C)(C)OC(=O)N1CC(O)(CN(Cc2ccccc2)S(=O)(=O)c2ccc(N)cc2C#N)C1 2106650136 APLLCHLQFRQGAA-UHFFFAOYSA-N 472.567 2.313 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(C(=O)OCc2ccccc2)CC1 2255831416 VNWXORBIORKTEV-UHFFFAOYSA-N 468.363 2.297 30 10 JEEE CC1(C)OB(c2ccc(S(=O)(=O)N3CC(NC(=O)OCc4ccccc4)C3)cc2F)OC1(C)C 2255931550 MYWDYRRWCRWNPF-UHFFFAOYSA-N 490.362 2.424 30 10 JEEE CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1CNC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2267092982 PZCTYOWIBOTLFB-GFCCVEGCSA-N 456.299 2.083 30 10 JEEE COC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2267147864 USPJUNCFSAGMIY-AWEZNQCLSA-N 467.397 2.150 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C[C@@H]1O 2267284013 WQWDVPGJXOHJHM-ZNMIVQPWSA-N 466.409 2.441 30 10 JEEE CC(C)(C)OC(=O)N1CC=C[C@@H]1CNS(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2267722265 VGAQTEHJARNAKI-MRXNPFEDSA-N 464.393 2.440 30 10 JEEE C[C@H](NC(=O)CC[C@H](O)CNC(=O)OC(C)(C)C)c1nscc1B1OC(C)(C)C(C)(C)O1 2268643870 MEQBHYKJCXEQAS-KBPBESRZSA-N 469.413 2.285 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](C(=O)NCc2cc(B3OC(C)(C)C(C)(C)O3)cs2)C[C@@H](O)C1 2268662976 GLOJTTURCQJLKC-GOEBONIOSA-N 466.409 2.281 30 10 JEEE C[C@@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C1COC1)c1nscc1B1OC(C)(C)C(C)(C)O1 2268664796 XZEUWUZPLBAGHE-WBMJQRKESA-N 467.397 2.159 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1 2281960953 GUPMOGHMBARMGU-WBVHZDCISA-N 460.384 2.284 30 10 JEEE Cn1cc(C(=O)NCC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2281971432 JIQVACSTCROXLG-INIZCTEOSA-N 462.400 2.486 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@H](C1)N2C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2282025899 VGWJMWIGIVDSEF-CALCHBBNSA-N 458.368 2.390 30 10 JEEE CC(C)[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282034387 HQRRTCAJRTYPPO-QGZVFWFLSA-N 462.400 2.437 30 10 JEEE Cn1cc(C(=O)N2C[C@@H](CNC(=O)OC(C)(C)C)C(C)(C)C2)nc1B1OC(C)(C)C(C)(C)O1 2282039236 RUMIZWWXFXSIGP-OAHLLOKOSA-N 462.400 2.342 30 10 JEEE C[C@@H]1C[C@H](NC(=O)C(F)(F)F)CCN1C(=O)c1nn(C)c(Cl)c1B1OC(C)(C)C(C)(C)O1 2282040533 KKUGZHSULZTJJH-GHMZBOCLSA-N 478.708 2.044 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@]2(C1)CN(C(=O)c1occc1B1OC(C)(C)C(C)(C)O1)CCO2 2282527235 ABOHIGRWUBDFNO-HSZRJFAPSA-N 462.352 2.431 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CN(C(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)CC[C@@H]1CO 2282658602 YZOFLUWCDUWLAP-APWZRJJASA-N 460.380 2.334 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1C[C@H](NC(=O)C(F)(F)F)CC[C@H]1C 2282691879 PHWIZZIUNAKEFS-UKRRQHHQSA-N 457.302 2.479 30 10 JEEE COC(=O)[C@]1(Oc2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)CCN(C(=O)OC(C)(C)C)C1 2282997787 LZMXUWQIMUTRCP-QHCPKHFHSA-N 462.352 2.499 30 10 JEEE CC1(C)OB(c2cc(F)ccc2S(=O)(=O)N[C@@H](COCc2ccccc2)C(=O)O)OC1(C)C 2284401391 HYINVDYYJDIDFL-SFHVURJKSA-N 479.335 2.073 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)NC[C@H]1COCCN1Cc1ccccc1 2285208231 IFXADWGSMMTJNV-NRFANRHFSA-N 451.376 2.320 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2OCC[C@]2(C(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)C1 2296392567 PMZRFMCFOKRJRQ-HJPURHCSSA-N 459.352 2.345 30 10 JEEE CC(C)(C)OC(=O)N[C@]1([C@H](N)C#CC2(S(C)(=O)=O)CCC2)CCN(Cc2ccccc2)C1 2319392520 AYGQBWRMJXASNB-HYBUGGRVSA-N 461.628 2.454 30 10 JEEE NC(=O)CSc1nnc([C@H]2CC(=O)N(Cc3ccccc3)C2)n1N=Cc1cccc(F)c1 2325917101 BCTIWCVDYUOATJ-KRWDZBQOSA-N 452.515 2.393 30 10 JEEE CCCNC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1N=Cc1cccc(OC)c1O 2329012410 PJVQSCKXOKDNQH-INIZCTEOSA-N 474.587 2.217 30 10 JEEE Cn1cnc(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 2362351700 IOPIRNRXHYMRIQ-JYJNAYRXSA-N 460.384 2.095 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NCCOC1CN(C(=O)OC(C)(C)C)C1 2362412044 LBJMUXAREITRRG-UHFFFAOYSA-N 463.384 2.173 30 10 JEEE CC(C)(C)OC(=O)N1CC2(CCOCCN2C(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C1 2362493707 KKLSMEJTCLHOOH-UHFFFAOYSA-N 479.408 2.294 30 10 JEEE C/C(=N\Nc1nc(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)n[nH]1)c1ccc(F)cc1 20835478 WBMYLHYPXCYBQE-FOKLQQMPSA-N 463.520 2.158 30 10 JEEE C=CCN1C(=O)/C(=C\c2c(N3CCC4(CC3)OCCO4)nc3ccccn3c2=O)SC1=S 34988063 QYADHLQHNCEHCO-JQIJEIRASA-N 470.576 2.425 30 10 JEEE COc1cc(/C=C\C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)ccc1OCC#N 96602522 XUOBIQNKNSBHJU-VURMDHGXSA-N 457.508 2.270 30 10 JEEE CCc1ccc(C=c2sc(=C(C#N)C(=O)N3CCN(CC)CC3)n(Cc3ccccc3)c2=O)s1 521288787 YAXYTDLUTDJOGS-UHFFFAOYSA-N 492.670 2.249 30 10 JEEE N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccccc1 729668688 OPFWPDQCVXCPND-UHFFFAOYSA-N 455.543 2.109 30 10 JEEE CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)/C(=C(/C)N[C@H](C(N)=O)c3ccc(O)cc3)C(=O)[C@]12C 1075996516 RQBJJQZRPQMHHB-BLPDMZJZSA-N 492.484 2.090 30 10 JEEE COc1ccc(O)c(C=NNc2nnc(SCC(=O)Nc3ccc(C(C)=O)cc3)n2N)c1 1083947619 WIZSKLUMOFLDSD-UHFFFAOYSA-N 455.500 2.086 30 10 JEEE C[C@H]1CN(C(=O)Cn2cc(NC(=O)CCCC(=O)Nc3ccccc3C#N)cn2)C[C@@H](C)O1 1148578812 BZGCBAGCUPLBEA-CALCHBBNSA-N 452.515 2.138 30 10 JEEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)cc1 1153593998 MLNNWESIFHJUGD-GOSISDBHSA-N 451.907 2.479 30 10 JEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCn2ncc(I)c2C1 1156647807 WIAJJMVLWIRANI-ZDUSSCGKSA-N 458.300 2.137 30 10 JEEE C=CCN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@@H](O)[C@@H](O)C2)c1 1171680650 LZBIWHZLVCOFKZ-RTWAWAEBSA-N 480.970 2.298 30 10 JEEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@](C)(C(N)=O)c2cccc(C(F)(F)F)c2)c1 1187537407 GTBVZPHNUSWWJH-IBGZPJMESA-N 455.458 2.300 30 10 JEEE C#CC[C@@H]1CCN(CC(=O)NCCN2C(=O)S/C(=C\c3ccc(OC)c(OC)c3)C2=O)C1 1197700936 BEJYDNWYXOABNZ-FPXKJXHESA-N 457.552 2.202 30 10 JEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1286340377 ZGNWJEKHNFBSQD-UHFFFAOYSA-N 478.578 2.119 30 10 JEEE C#CCCCn1c([C@H]2CCCOC2)nnc1N1CCCN(Cc2nc([C@H](C)OC)no2)CC1 1286350280 YICKGTILBPCJJL-OALUTQOASA-N 457.579 2.388 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC(=O)N(C)C)CC1 1286487010 LCPHIYHNZLFGAC-UHFFFAOYSA-N 463.369 2.306 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCCOc2cccc(OC)c2)CC1 1286490679 OTVOLQUOYMYJNM-UHFFFAOYSA-N 475.553 2.179 30 10 JEEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(Cl)=C(Cl)C1 1286608505 RVHRMBSPPFVPGR-MRXNPFEDSA-N 480.418 2.103 30 10 JEEE C=C(C)COCCn1c(N2CCO[C@](C)(c3cnn(C)c3)C2)nnc1[C@]1(OCC)CCOC1 1286614541 VDDNFYRDUIRQNC-GOTSBHOMSA-N 460.579 2.008 30 10 JEEE C=CCn1c(COc2ccccc2OC)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1286777993 RBSVUCXVNJLDKU-IBGZPJMESA-N 454.575 2.185 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1286782237 OWJWGPMMCUAVSD-KRWDZBQOSA-N 492.671 2.096 30 10 JEEE CCC[C@@H](C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@H]2C1 1293849487 BRRZSDAOIMNUAW-VQIMIIECSA-N 451.531 2.010 30 10 JEEE COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@]2(O)CCSC2)cc1Br 1300076476 GYPHLMFWFNAICQ-KUHUBIRLSA-N 480.388 2.313 30 10 JEEE C#CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(CC(=O)NCC)CC1 1300409423 SALATBDQOAGKAY-FQEVSTJZSA-N 487.649 2.064 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCC(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 1300485848 ZNCHJRCIGOZZDS-PKOBYXMFSA-N 491.589 2.099 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1Cc1nc2cc(OC)ccc2n1C)[C@H]1CCS(=O)(=O)C1 1300495721 JUTYFNKHAIBMNT-KRWDZBQOSA-N 470.599 2.047 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@H](C)N(C)C1CC1)[C@@H]1CCS(=O)(=O)C1 1300497644 BOYTZSBKEZUQNW-FUHWJXTLSA-N 477.581 2.257 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1CCCN1CCCCCC1=O)[C@@H]1CCS(=O)(=O)C1 1300501770 NKAOSZUYBDAWLR-HXUWFJFHSA-N 489.667 2.350 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CSCCS1 1300569754 TZIVGJFLQJPCRK-LJQANCHMSA-N 450.597 2.232 30 10 JEEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1301236475 FOIMSJCJIMFWDE-UHFFFAOYSA-N 472.512 2.002 30 10 JEEE C=CCn1c(-c2cc(Br)cn2C)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1301434320 JJARJXBQAREMIC-OAHLLOKOSA-N 472.409 2.262 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1301485550 XWVWVJMLKIWFFT-UHFFFAOYSA-N 476.419 2.391 30 10 JEEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)CCc1ccccc1F 1301497127 PDXVWQSSQBKUMA-UHFFFAOYSA-N 485.589 2.358 30 10 JEEE N#Cc1ccc(OCc2nnc(N3CCC([C@@H]4CCOC4)CC3)n2CC(=O)NCC(F)F)cc1 1302993570 DVYDVQVLOMXXAL-GOSISDBHSA-N 474.512 2.363 30 10 JEEE CC(C)OCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC(F)(F)F)CC1 1303569739 GVVCCPJCPMXRAZ-UHFFFAOYSA-N 479.507 2.042 30 10 JEEE C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1CCN(C)C(=O)OC(C)(C)C 1305114918 HTBFSZKYSCWSNU-MRXNPFEDSA-N 453.547 2.351 30 10 JEEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](N2CCOCC2)C(F)(F)F)CCO1 1305142256 HZIBCLDBWFQJHR-YJBOKZPZSA-N 450.465 2.305 30 10 JEEE C=CCn1c(COc2ccccc2)nnc1S[C@@H](C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 1307312460 QODIVYYVVZLCIG-JKSUJKDBSA-N 450.586 2.169 30 10 JEEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)c1 1309376557 QATOEWKHSNNVGZ-GOSISDBHSA-N 451.907 2.479 30 10 JEEE CCN(C(=O)OC(C)(C)C)[C@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H](C)C#N 1313544819 HIIMUTRIHFCCEN-BBWFWOEESA-N 468.624 2.422 30 10 JEEE CN(C)[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1)C1CCCCC1 1314653629 GGCDPAQWDCCCIF-QFIPXVFZSA-N 486.642 2.474 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1=CCCOC1 1359025480 PSBGOLXBSSNGHM-LJQANCHMSA-N 461.563 2.019 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C)Oc2ccccc2OC)CC1 1359028114 HRYWWUGJQHWNEB-LJQANCHMSA-N 475.553 2.157 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(OCC)cc3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1359030127 OUEPPPYYQSKRQD-UXHICEINSA-N 487.626 2.007 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2nc(C(C)(C)C)cs2)CC1 1359030809 GNXHNTCNNCZROI-HSZRJFAPSA-N 458.632 2.488 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC2CCN(C(=O)OC)CC2)CC1 1359031575 HQHRBZBUFLALSQ-UHFFFAOYSA-N 482.585 2.196 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1359099675 RJGKGQQBDSNOBQ-SIKLNZKXSA-N 491.662 2.011 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1359100389 AWTVGTUTFIIMOF-IFMALSPDSA-N 474.631 2.011 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cn2ccc(C)cc2n1 1359113937 UBIUSKRQUINRRK-LJQANCHMSA-N 473.603 2.018 30 10 JEEE C=C(C)COCCn1c(N2CCN(C(=O)N3CCCC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1359137353 NCYOSKTYPSLSBO-DEOSSOPVSA-N 476.622 2.249 30 10 JEEE C=CCC(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1359191235 SGHCSXAGHOVJGR-OAHLLOKOSA-N 451.618 2.495 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1359292432 PBHRCSWPVIQESA-QXAKKESOSA-N 455.515 2.451 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN(C(=O)OC(C)(C)C)C2CC2)C1 1359320452 QQITZPZOEQGBLQ-MSOLQXFVSA-N 460.579 2.410 30 10 JEEE CC(C)(C)S(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1359587026 FHZFBRSTZXHIFH-KRWDZBQOSA-N 490.605 2.333 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1507520853 HHLAQOKWVUUFCJ-VQIMIIECSA-N 499.559 2.460 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@H](CC(C)C)N(C)C)[C@H]1CCS(=O)(=O)C1 1507628923 JBMVGOYQJMPECS-VXKWHMMOSA-N 468.627 2.420 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1CC(=O)NC1CCCCC1)[C@H]1CCS(=O)(=O)C1 1507629512 NCVFAWWXASDJQN-IBGZPJMESA-N 485.610 2.029 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1ccc(OCC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1507635776 VIQHBZVDDXAROL-NRFANRHFSA-N 495.605 2.346 30 10 JEEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1CC(=O)NC1CCCCC1 1507672423 AWZVEBCJSSCGTN-UHFFFAOYSA-N 452.584 2.181 30 10 JEEE C=C(Br)Cn1c(COc2ccc(OC)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1507790338 GDJSOSXPJLCKKR-GOSISDBHSA-N 480.363 2.116 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@](O)(c2ccc(C)cc2)C1 1507806036 NWFXLTKEYZLZLV-PDSFRDGWSA-N 489.642 2.276 30 10 JEEE C=C(C)COCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1507838565 FBGWXEWNEVXVSJ-JOCHJYFZSA-N 485.585 2.383 30 10 JEEE C=C(Cl)Cn1c(COc2ccccc2OC)nnc1N1CCN(CC(=O)NC(C)C)CC1 1507871813 ADBXTRDDEKMVEO-UHFFFAOYSA-N 462.982 2.265 30 10 JEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccnc(OC(F)F)c2)CC1 1507897542 ROOCBAQKATXAFG-ZDUSSCGKSA-N 456.519 2.335 30 10 JEEE C=CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1507952335 QJIXZHONOORLAW-UHFFFAOYSA-N 482.633 2.046 30 10 JEEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(Cl)=C(Cl)C1 1507964970 NYULDVVLOBGLGH-INIZCTEOSA-N 480.418 2.103 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)N1CCc2ccccc2C1 1507984454 XEQMUKJWEANXNR-NRFANRHFSA-N 488.658 2.070 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c(-c2cnccn2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1)C(C)C 1508012794 JJKHYNFTOQUVSV-GBXCKJPGSA-N 466.590 2.465 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2ccc(C(F)(F)F)cc2)CC1 1508092609 RPFRECMBHFIEPD-INIZCTEOSA-N 464.492 2.430 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@@H]2COCCO2)C1 1508114603 BSWACUSIDXVZCD-ZWKOTPCHSA-N 460.531 2.168 30 10 JEEE C=CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)CC[C@H]2C1 1508160755 ITOAEYGXIRVOHJ-ROUUACIJSA-N 492.646 2.317 30 10 JEEE CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](OCC2CC2)C1 1516846615 GVRHYMDFCGYSMW-HXUWFJFHSA-N 458.588 2.151 30 10 JEEE C#CC[C@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)cc(OC)c1OC)c1ccccc1 1534188299 VNQBGYKAJHHUOQ-FQEVSTJZSA-N 458.536 2.219 30 10 JEEE C#CCN(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCS(=O)(=O)N1CCSCC1 1539171628 MWSWKVKJDPPLNH-UHFFFAOYSA-N 472.596 2.048 30 10 JEEE C#CCN(c1nnc(CC2CCCC2)n1CCCN1C[C@H](C)O[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1539225268 MJXXHQYQPZLXBE-ONTIZHBOSA-N 477.675 2.137 30 10 JEEE C#CCN(CC)c1nnc([C@H]2COc3ccccc3O2)n1CC1(OCCOC)CCOCC1 1539371573 WIKFHPSMCSTCRY-OAQYLSRUSA-N 456.543 2.462 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCN2CCC(C)CC2)CC1 1539434546 MPDFPAMOKCASRW-UHFFFAOYSA-N 452.603 2.449 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2CCc2nccnc2C)CC1 1539474215 LQUCLWULBWTKEK-UHFFFAOYSA-N 459.554 2.261 30 10 JEEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@](O)(c2cccc(F)c2)C1 1539578971 GMRDPXIIRIJHAT-SCLBCKFNSA-N 488.383 2.034 30 10 JEEE C=C(Br)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1539606453 FHPLKSRYYGJXGY-UHFFFAOYSA-N 493.454 2.039 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCOC2(CCOCC2)C1 1539614738 BNXJLIOCMNRNDH-AABGKKOBSA-N 450.580 2.369 30 10 JEEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccccc2[C@H]1C 1539751172 HSRDMBWYHRIXST-WIYYLYMNSA-N 475.615 2.327 30 10 JEEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1540036077 KIMWODFIUUOBHS-RJGXRXQPSA-N 488.677 2.391 30 10 JEEE COC(=O)[C@H]1C[C@H](O)CN(C(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)C1 1557360882 ANTPUMKJGCYRPX-WMZOPIPTSA-N 453.520 2.285 30 10 JEEE COC(=O)CCCN(Cc1ccccc1)C(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 1566347236 DMNNJRQXAOEXBT-KRWDZBQOSA-N 457.552 2.486 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(C(=O)N=[S@@](C)(=O)N(C)C)cc3)cc2C1=O 1587329550 LCWSTPYAYAXWIZ-JGCGQSQUSA-N 454.508 2.436 30 10 JEEE C#CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1587835161 NQWVLPZKZUESMS-SFHVURJKSA-N 466.586 2.165 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1ccc(F)cc1F)C1CC1 1587862657 YUUVLQSNOMSACF-FQEVSTJZSA-N 479.553 2.472 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H](C)Oc1ccccc1OC)[C@@H]1CCS(=O)(=O)C1 1588054014 JVDWFNNDKMSPCL-VAMGGRTRSA-N 488.610 2.275 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1Cc1ncccc1N(C)C)[C@H]1CCS(=O)(=O)C1 1588059050 IFMMTVOGVMPSNX-FQEVSTJZSA-N 482.585 2.144 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1Cc1ccc(CS(C)(=O)=O)cc1 1588155588 RCBWIRXFTITDJJ-UHFFFAOYSA-N 472.574 2.182 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(OC2CCCC2)nc1 1588560868 XEYUPBLUWGCLJX-UHFFFAOYSA-N 452.559 2.365 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccccn2)n1C[C@@H]1C[C@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1588620316 SZHFFBIBBBODDZ-ZJOUEHCJSA-N 482.585 2.451 30 10 JEEE C#CCN1CCN(c2nnc(CSc3ccccc3OC)n2C[C@H](C)N2CCN(CC)CC2)CC1 1588876903 NHGXKUNIZIKNDV-QFIPXVFZSA-N 497.713 2.360 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(C)(C)C(=O)NC 1589216781 XCTJLMRKLIGKGN-BXKMTCNYSA-N 474.606 2.351 30 10 JEEE C=C(Br)Cn1c(N2C[C@H](C)O[C@]3(CCOC3)C2)nnc1[C@@]1(OCC)CCOC1 1589459692 BSHRTKQUCYMQSL-KFKAGJAMSA-N 457.369 2.223 30 10 JEEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)Cc2cccc(OC)c2)CC1 1594616164 ORFYHOWQAYDLLX-NRFANRHFSA-N 466.586 2.485 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC=CO1 1595260254 GZJHBALDRNTQDG-WOJBJXKFSA-N 477.587 2.132 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1595467331 RUIYFLCOSZSRQI-UHFFFAOYSA-N 468.521 2.393 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)CCS(C)(=O)=O 1595497021 NWNNKOABNCRENF-UHFFFAOYSA-N 451.618 2.059 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(CCN2[C@H](C)CC[C@H]2C)CC1 1595501193 NKEJZDQAZAZAFI-RTBURBONSA-N 455.607 2.144 30 10 JEEE C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H](c2ccc(C(F)(F)F)cc2)N(CC)CC)C1=O 1597707477 RJIAGFQZXYALPA-INIZCTEOSA-N 454.449 2.181 30 10 JEEE C[C@]1(C#N)CCCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCN2CCC(O)CC2)C1 1611764892 AHOYHKADJYIJHM-XMMPIXPASA-N 486.642 2.325 30 10 JEEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2COc3cc(F)c(Br)cc32)c1 1617718052 TZIIVEYPIGBKLU-INIZCTEOSA-N 453.289 2.363 30 10 JEEE C#CCN(CC1CC1)C(=O)c1cc(Br)cc(S(=O)(=O)N2CCOCC2)c1F 1623231126 UWIDNABTUOQHCE-UHFFFAOYSA-N 459.337 2.095 30 10 JEEE CCCN(Cc1nc(O)c2sccc2n1)C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 1623838593 AUPIGQXRDDSLBG-ZDUSSCGKSA-N 459.553 2.374 30 10 JEEE C#CCn1ccc(CN(CC)C(=O)CCNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)n1 1634606674 FLMLPKZYSOOXHU-UHFFFAOYSA-N 458.462 2.132 30 10 JEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](CC(=O)OCC)c2ccc(F)cc2F)cc1 1638475700 GYKTWRHJXPQUTO-IBGZPJMESA-N 450.463 2.301 30 10 JEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@@H]3CCC[C@@H]([S@@](C)=O)C3)nnc12 1651144023 ULAKICHAAKLWDN-ZHANGXNJSA-N 459.597 2.128 30 10 JEEE C#CCCN(CC(F)(F)F)S(=O)(=O)c1ccc(OC)cc1NS(=O)(=O)C(F)F 1662651522 KGUWXSBTUXOKRZ-UHFFFAOYSA-N 450.407 2.236 30 10 JEEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCCN(C(=O)Cc3cccc(F)c3)CC2)c1 1662660168 ADROZTLSTIJKQN-UHFFFAOYSA-N 459.543 2.207 30 10 JEEE N#Cc1ccc(-n2ccc(NC(=O)Nc3cnn(CC(=O)N4CCOCC4)c3)n2)c(Cl)c1 1675688178 FTECWZVWUGHPAT-UHFFFAOYSA-N 454.878 2.097 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2c(F)cc(F)cc2[C@@H]1C 1689930592 VONDRLJOPYTWKY-MGPUTAFESA-N 479.553 2.426 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1CCCS(=O)(=O)C1 1690039826 UHIOFJUZMKSOCM-SFHVURJKSA-N 456.568 2.250 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CC[C@H](F)C2)CC1 1690136630 HVLFJRLTFOZQEH-AEFFLSMTSA-N 453.522 2.029 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN(CC)CCC(F)(F)F 1690206380 PJYLAWIFFMDYTI-QFBILLFUSA-N 461.554 2.447 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1690667341 ZTSRUVVQHLPXGJ-FQEVSTJZSA-N 494.415 2.025 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(C(=O)c2ccccc2OCC)CC1 1690667863 KUWVWCPLXPMWTD-UHFFFAOYSA-N 475.553 2.003 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1690673617 YQMDFLNHRGKHMY-UHFFFAOYSA-N 470.574 2.237 30 10 JEEE C=CCNC(=O)Cn1c(N(C)Cc2ccc3cnccc3c2)nnc1[C@]1(OCC)CCOC1 1690676835 FZXBNVKLZGZWIW-DEOSSOPVSA-N 450.543 2.417 30 10 JEEE CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCCCS(C)(=O)=O)[C@@H](C)C1 1690840261 JHZLSHOEACRITE-KRWDZBQOSA-N 458.588 2.089 30 10 JEEE CN1CCCC(C)(C)[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(NS(C)(=O)=O)CC1 1696878856 BNKRDPJDEOMEGZ-NRFANRHFSA-N 485.658 2.455 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1Cc1nc(C)cs1)[C@@H]1CCS(=O)(=O)C1 1705563318 VBCQVNTVFCWICJ-MRXNPFEDSA-N 487.607 2.402 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@H]1OCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1705568156 INTDYSRKHHPYEE-SVFBPWRDSA-N 458.584 2.217 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(F)ccc2Br)n1CCS(=O)(=O)CC 1705622324 FEIHNRGZIVDEOO-UHFFFAOYSA-N 473.368 2.367 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)(C)C)n2CC2(S(C)(=O)=O)CCCC2)n1 1705630745 FDUIYIVMLOFRDZ-UHFFFAOYSA-N 476.647 2.416 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCCc3ccccc3)n2CCC2(O)CCOCC2)CC1 1705649867 GTJSOEUVJMBESL-UHFFFAOYSA-N 479.625 2.351 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CCc2cccc(OC)c2)CC1 1705650820 ZGFYYNQLHDFWAW-UHFFFAOYSA-N 458.566 2.481 30 10 JEEE C=CCn1c(COc2ccc(Br)cc2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1705892162 GEUNDWSRHLENOH-OAHLLOKOSA-N 487.362 2.338 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1705897199 IFBXQJYRTSWTLO-NRFANRHFSA-N 473.581 2.480 30 10 JEEE CCOc1ccc(-c2nnc(N3CCN(c4cc(C#N)ccn4)CC3)n2CCC(=O)NC)cc1OC 1710519506 BCSNXZNOTKUVPN-UHFFFAOYSA-N 490.568 2.082 30 10 JEEE C#CCCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)CCc2ccc(OC)cc2)CC1 1722332111 CZBLTVPPZNJDIH-NRFANRHFSA-N 451.571 2.485 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CCc1cccs1)[C@@H]1CCS(=O)(=O)C1 1722359591 UVAFWSPFOMOKLI-QGZVFWFLSA-N 463.629 2.127 30 10 JEEE C#CCN(c1nnc(-c2cn(C)c3ccccc23)n1CCC(=O)NC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1722362761 WEUIZNKXUYHKQK-GOSISDBHSA-N 496.637 2.368 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC1CN(C(=O)OC(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1722369008 UZLYCARFZFQASV-MOPGFXCFSA-N 493.630 2.013 30 10 JEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1C[C@@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1722371651 KSVFUTXXTKIFIZ-UNMCSNQZSA-N 472.611 2.268 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCNC(=O)c1cc[nH]n1 1722412425 ZMVLQNMWLPSNAA-QGZVFWFLSA-N 470.578 2.005 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H]2CCCCN2CC)CC1 1722430906 CCXDTROLHNOSDU-JOCHJYFZSA-N 484.048 2.491 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@H](C(C)C)N2CCOCC2)CC1 1722436110 XFYAJSLNSYGHJW-HSZRJFAPSA-N 452.603 2.066 30 10 JEEE C#CCN1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCCNC(=O)OC(C)(C)C)CC1 1722438657 WZTXOEYWEPTNIS-UHFFFAOYSA-N 492.584 2.264 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(CS(C)(=O)=O)CC1 1722659720 ZSDFXPZIWDSGKX-IBGZPJMESA-N 478.640 2.198 30 10 JEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 1722686102 SWLAERNTNHHTSV-HOTGVXAUSA-N 496.659 2.129 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1722694390 UKZDZXZMNRKJLV-MRXNPFEDSA-N 496.431 2.332 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1722705735 HEXUWJBCYSIZRT-HXUWFJFHSA-N 488.036 2.029 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1722731358 LFHCWTOMRDJSCW-UHFFFAOYSA-N 492.628 2.475 30 10 JEEE CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCN(C(C)=O)C1)[C@@H]1CCS(=O)(=O)C1 1728293039 DUHUKWKNRTZUNU-PZJWPPBQSA-N 470.599 2.089 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1Cc1nnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1740618730 KFORSOLXVYNZFB-OAHLLOKOSA-N 494.549 2.381 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CCc1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1740624020 CGKFUSQFRMSABX-OAQYLSRUSA-N 465.579 2.142 30 10 JEEE C#CCN(c1nnc(CCCc2ccccc2)n1Cc1c(C)nn(C)c1C)[C@H]1CCS(=O)(=O)C1 1740626786 YUPWOQCNHIMOFL-QFIPXVFZSA-N 480.638 2.479 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(Br)s2)n1Cc1nnnn1CC1CC1 1740633753 RWPLSZHJAGJYNS-UHFFFAOYSA-N 457.361 2.287 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2CCc2ccn(C)n2)CC1 1740707486 DNGRQFIYXQVGPG-UHFFFAOYSA-N 461.570 2.108 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ncc(CC)s1 1740774555 VDFVPMIAZUDEDX-MRXNPFEDSA-N 454.622 2.081 30 10 JEEE C=C1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CC(=O)NCC(F)(F)F)CC1 1740819292 LAGPGHJEACMDEO-UHFFFAOYSA-N 485.536 2.382 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cccnc2OCCCC)CC1 1740825496 PAAYGRROAFRXJM-FQEVSTJZSA-N 490.630 2.390 30 10 JEEE C=CCNC(=O)Cn1c(-c2sc3ccccc3c2Cl)nnc1N1CCO[C@H](C(=O)NC)C1 1740952741 MHJOJDOLMPRKIC-AWEZNQCLSA-N 474.974 2.067 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCN(CC(C)C)C(=O)C1 1740959550 ZLGDNSMHHXHQFL-UHFFFAOYSA-N 463.542 2.207 30 10 JEEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCCN2CCC[C@H]2CO)[C@H](C)C1 1741055931 VBKCTGXDIUSLBG-OFNKIYASSA-N 495.628 2.023 30 10 JEEE CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1Cc1ccccc1COC 1747186669 BIQNCYLUTNSGJK-UHFFFAOYSA-N 464.574 2.250 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@H](CCC)OC)[C@@H]1CCS(=O)(=O)C1 1748805095 OFJKJMIQXUIEFL-CVEARBPZSA-N 484.420 2.478 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1CC1(N2CCOCC2)CCCCC1)[C@H]1CCS(=O)(=O)C1 1748817768 PZEWSKCPBKIXFI-NRFANRHFSA-N 477.675 2.138 30 10 JEEE C#CCN(CC#CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@]1(C)CN(C)C1=O 1748890625 RRUFASCIBDANLW-RUZDIDTESA-N 468.602 2.334 30 10 JEEE COc1cccc([C@@H](Cn2c(Cn3nc(C)cc3C)nnc2N2CCO[C@@H](C#N)C2)N(C)C)c1 1748898046 DWDVWFWOEOWTCZ-FCHUYYIVSA-N 464.574 2.180 30 10 JEEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H](C(C)C)N1CCOCC1 1748927068 ZTYVUPBDALGIJA-JOCHJYFZSA-N 466.634 2.268 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1CCN(C(C)=O)CC1 1748960949 RYTFUVZQIRRVAZ-UHFFFAOYSA-N 491.596 2.019 30 10 JEEE C#CCSCCn1c(-c2cn(C)c3ccccc23)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1749032099 VMAYPGCMGTXMNJ-KRWDZBQOSA-N 472.640 2.321 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)CCC(=O)NC 1749128102 RWJWCAAXQBONOQ-JTSKRJEESA-N 479.585 2.228 30 10 JEEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCCN(Cc2nc([C@H](C)OC)no2)CC1 1749409624 YEGZTAVKOCYCFY-SFHVURJKSA-N 472.594 2.283 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1C[C@@]1(C)COCCO1 1749529882 NWIMCJUYCNPDLO-DEOSSOPVSA-N 450.543 2.384 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2ccc(F)cc2C)C1 1749696745 DEXAFALIYATYHN-VQIMIIECSA-N 451.568 2.360 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCn1cc(Cl)cn1 1760193231 AXAKMSNZCFIVCX-UHFFFAOYSA-N 456.337 2.484 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(Br)cs1 1760206138 RKGQMSQPIJRWFC-ZDUSSCGKSA-N 453.387 2.125 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc3cccnc23)n1C[C@H]1CC(=O)N(CCOC)C1 1760214666 XIVJLEAOTDJDDP-FQEVSTJZSA-N 456.550 2.451 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCC[C@H]1OC 1760240251 LQQZSRWIRNAOQP-XKGZKEIXSA-N 463.579 2.482 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2OC)n1CC(=O)NCC(F)(F)F 1760247107 ORLRABOUFVOBGR-UHFFFAOYSA-N 459.856 2.372 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccncc1Cl 1760337299 PKSKPZTZGSJCOI-KRWDZBQOSA-N 454.984 2.110 30 10 JEEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1760359176 HMHSXVDEDVDWQS-ZJSXRUAMSA-N 481.645 2.236 30 10 JEEE C=CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1760430465 JYWCTAXRFXAKHJ-SFTDATJTSA-N 461.607 2.434 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@H](COCC)C1 1760515094 KRRRMNWYNQBEFR-AWEZNQCLSA-N 451.369 2.211 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(F)ccc3Br)n2Cc2nnn(C)n2)C1 1760539613 RQFSKCVXLMDSTB-CYBMUJFWSA-N 463.315 2.200 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(C)nc3ccccc23)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1760550677 GDXQZFNHMPOWSH-QGZVFWFLSA-N 489.623 2.026 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@H]1CSCCS1 1761465744 FHUNHHNGYKNQMQ-PBHICJAKSA-N 466.658 2.245 30 10 JEEE COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC(C)(C)C)nc1 1771111975 BYJXYRIUHVASLO-GOSISDBHSA-N 476.603 2.167 30 10 JEEE C=CCNC(=O)[C@H]1C[C@@H](O)CN1C(=O)c1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1 1861265064 GWCOBYAEGLOYPK-CRAIPNDOSA-N 450.322 2.081 30 10 JEEE COc1ccc([C@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2CCCNC=O)cc1OC 1862745684 PADPCVPLQPIOIB-FQEVSTJZSA-N 469.450 2.326 30 10 JEEE C=CCN(CC=C)C(=O)[C@@H](CCCC)NC(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1 1868596927 VPXABWNCFYIPHQ-JOCHJYFZSA-N 476.643 2.112 30 10 JEEE CC[C@@H](C)N1C(=O)c2ccc(C(=O)Nc3c(C#N)nnn3-c3ccc4c(c3)C(=O)N(C)C4=O)cc2C1=O 1870144364 ZUBJXIQEZABNJJ-GFCCVEGCSA-N 497.471 2.012 30 10 JEEE CCCCCCCCNC(=O)C1CCN(C(=O)[C@H]2CC(=O)N(CCN3C(=O)CSC3=O)C2)CC1 1872953507 KZLFUEANEPPLKH-IBGZPJMESA-N 494.658 2.246 30 10 JEEE CCCCCCCCN1C[C@H](C(=O)N2CCN(S(=O)(=O)c3c(C)n[nH]c3C)CC2)CC1=O 1873010945 FCAUQVIHWZRHCC-LJQANCHMSA-N 467.636 2.068 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2CC[C@@H](CO)[C@@H](NC(=O)OC(C)(C)C)C2)C1 2255199753 CEBKYOLTYSWTHI-LLUXXFGUSA-N 451.564 2.027 30 10 JEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2255706927 PPFXBGJKXLNDIX-ZIAGYGMSSA-N 452.382 2.411 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1[C@@H]2CN(S(=O)(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)s3)C[C@@H]21 2255751842 FADIPUDCDYBSOR-VIKVFOODSA-N 470.422 2.191 30 10 JEEE CC(C)(C)OC(=O)NCC[S@](C)(=O)=NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2255752558 KELXNKLVRCZYQY-PMERELPUSA-N 494.466 2.359 30 10 JEEE CC(C)(C)OC(=O)NOCCNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2255930867 BLVCWAYRTWDSEZ-UHFFFAOYSA-N 476.788 2.374 30 10 JEEE CN(C)CCN(CCNC(=O)OC(C)(C)C)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)o1 2267280500 OMRQRGBDYYMVIA-UHFFFAOYSA-N 451.373 2.107 30 10 JEEE Cc1nc(S(=O)(=O)NC[C@@H](C)COCc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)n1C 2267471369 HEYQZEKKIPYTCF-MRXNPFEDSA-N 463.409 2.159 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCC[C@H](C)NC(=O)OC(C)(C)C 2267517858 ZMJBUGMPJBYRSH-AWEZNQCLSA-N 450.389 2.451 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C12CC2 2281973909 VMGDUVVRYOTLBO-MRXNPFEDSA-N 460.384 2.474 30 10 JEEE C[C@H]1CN(S(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)[C@@H](C)CN1C(=O)OC(C)(C)C 2282350854 SPBISTCHNATWNI-HOTGVXAUSA-N 481.424 2.399 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)c(F)c2)C1 2282479067 MFVCVYWJHDRILO-MRXNPFEDSA-N 464.343 2.491 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2CC[C@]2(CNC(=O)OC(C)(C)C)C1 2282485009 NPHREYIIZOTKBD-CMJOXMDJSA-N 460.384 2.096 30 10 JEEE CC1(C)OB(c2csnc2C(=O)N2C[C@H](CNC(=O)C(F)(F)F)C3(CCC3)C2)OC1(C)C 2282525681 LXJDEGMVXAVDIG-LBPRGKRZSA-N 473.326 2.363 30 10 JEEE CCc1nn(C)c(C(=O)NC[C@H]2C[C@H]2CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2282561176 QOJYAKKTVGCPBD-CABCVRRESA-N 462.400 2.172 30 10 JEEE Cn1nc(C(=O)N[C@@H]2C[C@H]3C[C@H]2C[C@H]3NC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2282621401 RIZIOVGQHQOFSY-ZJIFWQFVSA-N 460.384 2.141 30 10 JEEE CC1(C)OB(c2ccccc2S(=O)(=O)N2CCC[C@H](CNC(=O)C(F)(F)F)C2)OC1(C)C 2282858713 BHPGLLDMIUANNT-CQSZACIVSA-N 476.326 2.065 30 10 JEEE CC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=NOCC(=O)N[C@H](CO)C(=O)O)CC[C@]4(C)[C@@H]3CC[C@@]21C 2297639502 XPPSOAUERBQGOO-TZKPNNMWSA-N 490.597 2.204 30 10 JEEE CNC(=O)[C@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@@H]1C1CCN(C(=O)COCCOC)CC1 2297650208 JKIOQUXFJXXRLQ-UXHICEINSA-N 496.530 2.277 30 10 JEEE Cn1cc(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2336903417 QEJGKSUHTALNRU-OAHLLOKOSA-N 450.389 2.389 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2CC[C@@](NC(=O)OC(C)(C)C)(C2)C1 2362464243 FMUZHOXCMMXBCQ-NPMXOYFQSA-N 460.384 2.239 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2[C@H]3C[C@H]3CN2C(=O)OC(C)(C)C)n1C 2362478876 PYIOQYJPZUUUMX-HRCADAONSA-N 460.384 2.013 30 10 JEEE COc1nc(N(C)C[C@H]2COCCN2C(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2365348616 SSSMTXPUXVAVPY-INIZCTEOSA-N 463.384 2.462 30 10 JEEE Cc1cc(CNC(=O)[C@@H]2C[C@H](O)CN2C(=O)OC(C)(C)C)cc(B2OC(C)(C)C(C)(C)O2)c1 2369677194 JAEWYMFGYWZWCC-OALUTQOASA-N 460.380 2.281 30 10 JEEE COc1cc(NC(=S)/N=C(/NCCN2CCOCC2)Nc2nc(C)cc(C)n2)cc(OC)c1 14158200 CKMWLQRLAAECFN-UHFFFAOYSA-N 473.603 2.197 30 10 JEEE CN(C)c1ccc(/C=N/Nc2nnc(SCC(=O)Nc3ccc4c(c3)OCCO4)n2N)cc1 20527626 UNUHXPJNHYUMCK-FSJBWODESA-N 468.543 2.006 30 10 JEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)cc1 642709299 CAQPEWRBSMEVMW-AWEZNQCLSA-N 452.558 2.023 30 10 JEEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)OCc2ccccc2)CC1 1286322728 DLYWFVBUIMLBEA-HXUWFJFHSA-N 450.543 2.492 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCSCC(C)C)[C@@H]1CCS(=O)(=O)C1 1286392271 BEJDVAHSOOVRCU-LJQANCHMSA-N 464.661 2.156 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1Cc1ccc(OC)nc1)[C@H]1CCS(=O)(=O)C1 1286393713 RPOIKNYTGBSTMK-NRFANRHFSA-N 465.579 2.142 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CC1(C)CCCC1)[C@H]1CCS(=O)(=O)C1 1286398736 NVMRDSHQNTUGTM-FHWLQOOXSA-N 450.605 2.209 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1286404212 QTYVJZMBHMVFSM-UGKGYDQZSA-N 497.621 2.239 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](C)N(CC)CC 1286439345 PMQWIBKDBJTRHI-IBGZPJMESA-N 455.632 2.431 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)CC1 1286491197 IPXLZBRYXQPASB-LJQANCHMSA-N 495.628 2.485 30 10 JEEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1286498905 BSONLFNDCNOWJD-JPYJTQIMSA-N 490.651 2.489 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2nnc(O)c3ccccc23)n1CCCN(C)S(=O)(=O)CC 1286521627 BFRRMKJZSVUECE-HSZRJFAPSA-N 483.598 2.258 30 10 JEEE C=C(C)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1286594778 NVCBUMNQPCMCNZ-QFIPXVFZSA-N 452.603 2.391 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1286823114 JVOIKDGMCIRFEL-YJBOKZPZSA-N 499.515 2.486 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC1([S@@](C)=O)CC1 1288529260 GYWFLLNMCLXSHR-NLINSNCNSA-N 469.659 2.292 30 10 JEEE CCOC1CC(O)(Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N(C)C[C@H](C)C#N)C1 1296951837 GVFARQFXWMJDSB-MFPRGYPFSA-N 460.966 2.387 30 10 JEEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1300371309 BSFBTRNZYOOSNM-IBGZPJMESA-N 456.616 2.374 30 10 JEEE C#CCCCCn1c(N2CC[C@]3(CCS(=O)(=O)C3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1300377587 WPERUPCRRYNOFP-FCHUYYIVSA-N 450.605 2.137 30 10 JEEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC(=O)NC1CCCCC1 1300471594 HQJPFLNTZVIIGH-UHFFFAOYSA-N 463.630 2.161 30 10 JEEE C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@@H]1C(F)(F)C12CCC2)[C@H]1CCS(=O)(=O)C1 1300481375 ABOXJVQNVQGFCN-ULQDDVLXSA-N 472.558 2.064 30 10 JEEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](CC=C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1300491142 FBJONNXWNFHGRK-ACRUOGEOSA-N 467.595 2.216 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1CCN1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1300498011 FYAHETNNGHVELV-NRFANRHFSA-N 473.618 2.367 30 10 JEEE C#CCN(c1nnc(CC)n1CCc1ccc(OC)c(OC(F)F)c1)[C@H]1CCS(=O)(=O)C1 1300499201 QTLQCVUAACVQKD-INIZCTEOSA-N 468.526 2.320 30 10 JEEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1CCS(=O)(=O)c1ccccc1 1300591459 QIROBTIHKGXLKR-UHFFFAOYSA-N 450.568 2.077 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2CCCN(CC(C)C)C2)CC1 1300710803 LYKQRMGKRPRLHQ-VABKMULXSA-N 458.651 2.125 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCN(C)C2CCCCC2)CC1 1300727277 VRKNLNDEVFBZBS-NRFANRHFSA-N 456.635 2.402 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(N(C)C(=O)OCC)CC1 1300734530 WLIXMNVBQMTSKO-UHFFFAOYSA-N 471.587 2.349 30 10 JEEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1300988596 HCYBNVQFVBBSGY-VXKWHMMOSA-N 474.650 2.288 30 10 JEEE C=C(Cl)Cn1c(-c2cc3ccccc3o2)nnc1N1CCN(CC(=O)NCCOC)CC1 1301023481 GNAOBBXFBVWUDK-UHFFFAOYSA-N 458.950 2.328 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1301514229 HDDRJZAIDXMXEL-KRWDZBQOSA-N 486.573 2.271 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N(C)Cc1ccc2c(c1)OCO2 1301586799 JOINXKVXAPSLNR-UHFFFAOYSA-N 455.540 2.230 30 10 JEEE CC(C)Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CC[S@@](=O)C(C)(C)C 1302954099 GLCZMLSCJZUXCJ-UJQZNKFNSA-N 458.636 2.401 30 10 JEEE N#C[C@@]1(F)CCN(c2nnc(CNC(=O)c3cccs3)n2CCC(=O)N2CCCCC2)C1 1316530171 DRMFAEUCZLTMMM-NRFANRHFSA-N 459.551 2.114 30 10 JEEE C#CCCOc1ccc(C(=O)N2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)cc1 1348986501 KXVGLCQIMHMKLF-UHFFFAOYSA-N 456.549 2.240 30 10 JEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 1358919525 DSHOEASPMANKEJ-MRXNPFEDSA-N 468.624 2.137 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1358956983 NSUACTNTWGVDBL-PXNSSMCTSA-N 486.573 2.389 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1ccccc1OC(F)F)[C@@H]1CCS(=O)(=O)C1 1358961949 HMRVJCFTHSMYKP-QZTJIDSGSA-N 480.537 2.449 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)s3)n2CC2CCS(=O)(=O)CC2)CC1 1359031565 HKHMHYQRTFKKOO-UHFFFAOYSA-N 498.472 2.349 30 10 JEEE C=CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1359287402 BIIZJNYVTHRQDY-UHFFFAOYSA-N 481.649 2.019 30 10 JEEE C=CCn1c(N2CCN(c3ccc(C(N)=O)cn3)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1359290644 KGSGPTLCRSXTPI-HDICACEKSA-N 482.589 2.055 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1359293505 RPJUWYWUDLIIQP-IRXDYDNUSA-N 479.578 2.263 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1359330309 NVXXQYWKIVEAJE-UHFFFAOYSA-N 493.593 2.148 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@H](OC(C)(C)C)C1 1359330812 DMDBIZYUKPPZKJ-INIZCTEOSA-N 479.603 2.391 30 10 JEEE C=CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1359345611 KWEYACYBHPWIJT-QFIPXVFZSA-N 476.672 2.490 30 10 JEEE CC(C)OCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CCC2)CC1 1360409419 HATPLVDCKBPDFV-UHFFFAOYSA-N 486.642 2.331 30 10 JEEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCS(C)(=O)=O)CCN(C2CCC2)C1 1494475615 BWYQAVYDJLOCCP-SFHVURJKSA-N 472.615 2.084 30 10 JEEE CCN(CC)CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2[C@@H]2C[C@@H]2C)CC1 1501909499 CDOYZHVFSKFZHI-GHTZIAJQSA-N 451.575 2.300 30 10 JEEE CNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C(C)C)N2CCOCC2)C1 1503745451 FPZHGMDOIBLMAU-YADHBBJMSA-N 465.602 2.136 30 10 JEEE CS(=O)(=O)CC1(Cn2c(COc3ccccc3F)nnc2N2CC[C@@](F)(C#N)C2)CC1 1505126558 FLIMTZHIUSLKJH-HXUWFJFHSA-N 451.499 2.263 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2C[C@@H](C)N2CCOCC2)c1 1507549776 OHGLXZFLIREGJL-LJQANCHMSA-N 461.570 2.061 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1507628946 ZCOYZHMKNLWVFA-MOPGFXCFSA-N 474.583 2.158 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCC[C@H]1OC)[C@H]1CCS(=O)(=O)C1 1507634424 KHEUWBQNMNUTDF-YTQUADARSA-N 463.629 2.076 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CC1(N(C)C)CCC1)[C@H]1CCS(=O)(=O)C1 1507635273 VPPAWPIBIAFMSW-KRWDZBQOSA-N 477.581 2.258 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccn2C)n1C[C@@H]1C[C@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1507646798 SYTAUQSGCUDRKN-ZJOUEHCJSA-N 464.570 2.381 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC[S@@](=O)C(C)(C)C 1507667955 SUJBYVDZJJMSMO-JGCGQSQUSA-N 474.656 2.248 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@](C)(O)c2ccco2)CC1 1507743073 YLKZQCOAVUYVSH-RUZDIDTESA-N 465.529 2.475 30 10 JEEE C#CCSCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1507748168 LEUCUGHMLNOBFU-KRWDZBQOSA-N 478.416 2.334 30 10 JEEE C=C(C)COCCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1507846022 WVIRSCKQAKDFTB-IBGZPJMESA-N 468.537 2.133 30 10 JEEE C=CCCOCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1507962242 OOVOCMSLJONXBZ-GOSISDBHSA-N 465.558 2.491 30 10 JEEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1507965951 SRJLTXZOMZYMOV-GBXCKJPGSA-N 498.676 2.111 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1508107008 XEAZOCQPOXHHTP-LEWJYISDSA-N 455.559 2.414 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H](C)[C@H]1CC 1508135486 MLEDRZHKUUHJBA-FXAWDEMLSA-N 495.671 2.421 30 10 JEEE CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCCC(C)(C)C2)CCO1 1508374592 GZULUNVITSAKMN-JOCHJYFZSA-N 465.602 2.280 30 10 JEEE Cc1nn(C)c(N2CCN(c3nnc(CC(C)(C)C)n3CCN3CCN(C)C(C)(C)C3)CC2)c1C#N 1511661329 DPEUOWACLPYHJC-UHFFFAOYSA-N 496.708 2.133 30 10 JEEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2scnc2C)C1 1516022201 DYZMHCDZVQXOQG-SFHVURJKSA-N 471.612 2.342 30 10 JEEE CCO[C@H]1C[C@H](N(C)c2nnc(COc3ccc(C#N)cc3)n2CCS(C)(=O)=O)C1(C)C 1516377801 CNOVWSBYSPWWKF-OALUTQOASA-N 461.588 2.413 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@H]1CCN(CC(F)(F)F)C1)[C@H]1CCS(=O)(=O)C1 1539216335 QNKFYNRXCSGWKH-ROUUACIJSA-N 496.559 2.159 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H](F)COC 1539413237 HPIIJHGQBAEAOR-QZTJIDSGSA-N 453.559 2.463 30 10 JEEE C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1CCn1cc(Br)cn1 1539420519 GIOSJMIOFVOWAA-UHFFFAOYSA-N 464.393 2.379 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2CC[C@@H](C(F)F)N2CCOCC2)CC1 1539468600 GCPINYIZXNIMNL-MJGOQNOKSA-N 466.577 2.113 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2Cc2ccc(OC)cc2OC)CC1 1539484525 SDHNAEHDPBHLPC-UHFFFAOYSA-N 474.565 2.295 30 10 JEEE C#CCSCCn1c(-c2ccc(C)o2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1539499643 NQYWUCYXKALRAB-PXNSSMCTSA-N 456.616 2.202 30 10 JEEE C=C(Cl)Cn1c(N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)nnc1[C@@]1(OCC)CCOC1 1539823617 GDRONRKBGMKROC-HRAATJIYSA-N 471.986 2.413 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1540867448 WQYHOLRPZPSALP-UHFFFAOYSA-N 464.599 2.122 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCC(O)(C(F)(F)F)CC1 1540901564 IAUYNWOUSNZZDR-UHFFFAOYSA-N 459.494 2.143 30 10 JEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](Cc2ccc(C#N)cc2)C1 1540907310 RYBFTPILXHMZPQ-QFIPXVFZSA-N 496.637 2.332 30 10 JEEE C=CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1540911328 QYABCDOLQLDDMK-HNNXBMFYSA-N 461.979 2.385 30 10 JEEE C[C@H](CC#N)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@]1(N(C)C)CCSC1 1541799545 HKYIFDGWUYQMFO-VGOFRKELSA-N 491.687 2.371 30 10 JEEE Cc1ccc(C(C)C)c(OCc2nnc(N(C)C[C@H](C)C#N)n2C[C@]2(O)CCS(=O)(=O)C2)c1 1542249622 BNOXHOLUDXTPEF-WZONZLPQSA-N 475.615 2.434 30 10 JEEE CCC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1546835551 CNUXTWWSMPWTCE-AVRDEDQJSA-N 460.604 2.133 30 10 JEEE CCO[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC(F)(F)F)C1 1548056480 BTGCPTIUJLBVLB-KRWDZBQOSA-N 466.464 2.413 30 10 JEEE CCCS(=O)(=O)N1CC2(CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)C[C@H]1C(N)=O 1548380426 YXYFDYSKFAMGRU-KRWDZBQOSA-N 458.506 2.463 30 10 JEEE C#CCCN1CCC(NC(=O)CNC(=O)[C@H]2c3ccccc3C(=O)N2Cc2ccccc2)CC1 1565988968 SZNVWLXDOINUEK-RUZDIDTESA-N 458.562 2.104 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(NC(N)=O)cc1)[C@H]1CCS(=O)(=O)C1 1588041529 XHFHWGVMWUCGIS-SFHVURJKSA-N 499.984 2.159 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCS(=O)(=O)CC1CC1 1588124377 KEWDWXZPXURTKM-UHFFFAOYSA-N 492.605 2.134 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1588908851 XFXRMDPMWACWOM-VQTJNVASSA-N 457.962 2.104 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2C)CC1 1589070813 YACNYXDGPWZMJE-LJQANCHMSA-N 459.641 2.182 30 10 JEEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 1589708620 QXZQYDQZEDDUMN-CABCVRRESA-N 455.606 2.065 30 10 JEEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN([C@@H](C)c2nccs2)CC1 1594679789 JEXHMIFOOVNUSE-CVEARBPZSA-N 453.638 2.194 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCN2C(=O)NC[C@@H]2C1)C(C)C 1595170786 JULRDFADDKNJBS-PWRODBHTSA-N 457.623 2.085 30 10 JEEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1595475164 BDSCWFFVHRPALJ-FCHUYYIVSA-N 452.603 2.423 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)c2cccc(Cl)c2)CC1 1595530025 QBUIZCIFVNJIMR-UHFFFAOYSA-N 453.934 2.191 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@@H](OC)C(C)(C)C1 1595766353 PTLCZXHZWJVEIU-LJQANCHMSA-N 464.588 2.424 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCOc2ccccc2)nnc1N1CCN2CCCC[C@H]2C1 1595823110 KPBFHWQOJSNBDJ-FQEVSTJZSA-N 459.616 2.175 30 10 JEEE CC(=O)N[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCC[C@@H]2C)C1 1596463593 BKPFTULYYIIOHT-RXVVDRJESA-N 451.575 2.318 30 10 JEEE C[C@H]1C[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(NS(C)(=O)=O)CC2)CCO1 1612686061 AMVVWRHSLMTCSU-FUHWJXTLSA-N 458.588 2.150 30 10 JEEE C=CCn1c(S)nnc1-c1sc(NC(=O)[C@@H](NC(=O)C2CCCC2)[C@@H](C)O)nc1C 1628356774 DDUXRVHLCCXSSZ-YPMHNXCESA-N 450.590 2.179 30 10 JEEE C#C[C@H](C)N(C)C(=O)CCNS(=O)(=O)c1cc(Br)ccc1Br 1639772718 SKTURLUIAXRXHF-JTQLQIEISA-N 452.168 2.360 30 10 JEEE COc1cc(C#N)ccc1S(=O)(=O)N1CCNC(=O)[C@H]1c1ccccc1Br 1663216922 DBPNSRGTLFCCOX-QGZVFWFLSA-N 450.314 2.191 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](C)N1CCc2ccccc2C1 1689998205 FOZWKUXIJAGHRU-FQEVSTJZSA-N 453.550 2.445 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC(=O)NCC1CC1 1690043629 HYZDUKFDIPJYAB-UHFFFAOYSA-N 471.565 2.225 30 10 JEEE C#CCN(CC#CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@](C)(O)C1CC1 1690052595 MCICLANWLZONPW-MHZLTWQESA-N 460.626 2.267 30 10 JEEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2F)C[C@H]1C 1690301100 PBFRACYVTIIBNB-MSOLQXFVSA-N 480.610 2.335 30 10 JEEE C=CCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1690503104 QDKNSDGKRZEBBS-UHFFFAOYSA-N 458.588 2.270 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC(N(C)C(C)=O)CC1 1690660925 QYJPOWYTMDHMQA-MRXNPFEDSA-N 458.538 2.307 30 10 JEEE CC[C@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](CNC(C)=O)C1 1694211392 CSXZJDBWNHUQQK-FXAWDEMLSA-N 451.575 2.474 30 10 JEEE CCOC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2([S@@](C)=O)CC2)C1 1695976988 DDBYHMGTNIDLMC-HYHKQLJDSA-N 456.572 2.443 30 10 JEEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1CCNC(=O)c1cccs1 1696904431 FKJPJPJLYXHITR-OAHLLOKOSA-N 451.556 2.127 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2C[C@H]2CCN(CCC)C2)c1 1705508478 WWGMYKKAXFOQFW-NRFANRHFSA-N 477.613 2.189 30 10 JEEE C#CCCCn1c(N2CCC(NC(=O)c3cc(C)on3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1705539679 YIJUHSFGYWJWMC-XMMPIXPASA-N 470.574 2.427 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(C#N)o1)[C@H]1CCS(=O)(=O)C1 1705562781 KDZKLOLFCKDVLT-HNNXBMFYSA-N 456.915 2.133 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H](C)N1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1705563587 AMTBXYIWHGXDRW-PZJWPPBQSA-N 456.616 2.087 30 10 JEEE C#CCN(c1nnc(-c2noc3c2COCC3)n1CC(C)(C)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1705565665 ISVMKKXGEFGZPD-ZDUSSCGKSA-N 487.504 2.221 30 10 JEEE C#CCN(c1nnc(COCC)n1C[C@@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1705568650 SLLMYLUOKMHIAT-GBESFXJTSA-N 495.646 2.087 30 10 JEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1705581622 GVTNLDFFOXYINY-SZPZYZBQSA-N 490.656 2.413 30 10 JEEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2ccc(F)cc2)C1 1705731619 YXNFXEBZQYJZBB-APWZRJJASA-N 467.567 2.198 30 10 JEEE C=CCn1c(COc2ccccc2OCC)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1705893160 OHBZSNQANBLTRV-FQEVSTJZSA-N 454.531 2.208 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCC[C@@H](NC(C)=O)C2)cc1 1705909363 UZGXZLGFALFWOA-HXUWFJFHSA-N 452.559 2.232 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1705935832 DTQAQPLIDULKEB-IBGZPJMESA-N 483.635 2.078 30 10 JEEE Cc1ncc(CN2CCN(c3nnc(-c4ccc(C#N)cc4)n3CCC(=O)N(C)C)CC2)s1 1707783625 FPTRVYGCUCOMOJ-UHFFFAOYSA-N 464.599 2.382 30 10 JEEE CCS(=O)(=O)N(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1710884617 DWZUHEIYSCUYLX-RTWAWAEBSA-N 472.615 2.351 30 10 JEEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1722325326 JBOOLAQESOBPMF-HXUWFJFHSA-N 486.642 2.350 30 10 JEEE C#CCN(C)c1nnc([C@H](C)OCCOC)n1C[C@@H]1C[C@@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1722345741 RPBQZLSXJMSHFX-ZSYWTGECSA-N 463.579 2.096 30 10 JEEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CCC=C(C)C)[C@@H]1CCS(=O)(=O)C1 1722362783 BXYVUCQSPLSXDF-DENIHFKCSA-N 450.605 2.302 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2Cc2cccc(OCC(C)C)c2)CC1 1722448896 CBHWHPLWBPIHNE-UHFFFAOYSA-N 492.624 2.449 30 10 JEEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1722464953 VHYVYISHKMDGIU-PMACEKPBSA-N 463.648 2.452 30 10 JEEE C=CC[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](C(=O)NC)C1)c1ccccc1 1722596369 HTDBBPXSRRELQL-YADHBBJMSA-N 463.586 2.451 30 10 JEEE C=CCCOCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1722619574 AHLCFGWAFZGQRW-QUCCMNQESA-N 487.004 2.417 30 10 JEEE C=CCCOCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(C(=O)OCC)CC1 1722628081 SLJYUUJBAZMTOG-UHFFFAOYSA-N 484.605 2.323 30 10 JEEE CN(C)S(=O)(=O)c1ccccc1Cn1c([C@H]2CCOC2)nnc1N1CCC(CC#N)CC1 1729342785 HYSOJHBEOQFESE-IBGZPJMESA-N 458.588 2.211 30 10 JEEE Cn1cccc1-c1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1CCS(C)(=O)=O 1729587832 ABDIGRVTZLKKQW-UHFFFAOYSA-N 473.990 2.180 30 10 JEEE CS(=O)(=O)CCCn1c(COc2ccc(F)cc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1731005541 CMJQOLCZUVWXHP-UHFFFAOYSA-N 499.572 2.024 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1740616147 UJJVSQBXFNXPJR-HXUWFJFHSA-N 478.578 2.103 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1Cc1cccc(C(=O)N(C)C)c1)[C@H]1CCS(=O)(=O)C1 1740616832 HUXSYPWDBVRBKZ-XLIONFOSSA-N 457.600 2.168 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1CC1(COC)CCC1)[C@@H]1CCS(=O)(=O)C1 1740620912 HVUQSDFWENIJGJ-GOSISDBHSA-N 458.584 2.397 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H](c1cccc(F)c1)N(C)C)[C@H]1CCS(=O)(=O)C1 1740625567 GRSRRRSRBWCKKU-HJNYFJLDSA-N 489.617 2.241 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCN1CCOC[C@H]1C 1740684942 GJPMDNVOJULLIH-NHCUHLMSSA-N 490.649 2.199 30 10 JEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl 1740709721 QKSKUPOFUXNRLL-ZENOOKHLSA-N 466.460 2.275 30 10 JEEE C#CCSCCn1c(COc2ccccc2OC)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1740722323 GQZPIASVOYUJHE-NRFANRHFSA-N 485.610 2.060 30 10 JEEE C=CCCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1740872099 YNNFKCWJFMBWKE-UHFFFAOYSA-N 452.559 2.191 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1Cc2ccoc2CC(C)(C)C1 1740985809 MBYMPDVLCAVXMD-UHFFFAOYSA-N 461.588 2.297 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCN(c2ccc(C(C)=O)cc2F)CC1 1740990736 YVGSUDKOYRQJLL-UHFFFAOYSA-N 499.572 2.004 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1740990800 FTOYECBQGAUUSC-SJORKVTESA-N 485.614 2.114 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CC[C@H](C)N(Cc2ccccc2)CC1 1740991859 GUNGEMSUURWCDQ-RBBKRZOGSA-N 473.643 2.484 30 10 JEEE C=CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@H](S(C)(=O)=O)C1 1740999914 HZOOPVLQMAORAB-INIZCTEOSA-N 488.639 2.217 30 10 JEEE C=CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1740999970 KJVMLHLBIDOGCD-MRXNPFEDSA-N 488.639 2.125 30 10 JEEE C[C@@H]1CN(CCCn2c(-c3cc(Br)c[nH]3)nnc2N2CCO[C@H](C#N)C2)CCCO1 1743334628 CHNNUVOXKCTWQO-NVXWUHKLSA-N 478.395 2.265 30 10 JEEE C#CCN(C)c1nnc(-c2cccc(Br)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1748774082 RKACARDMISUGTC-CQSZACIVSA-N 452.378 2.059 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1CC1(C)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1748808641 FFRDAKPUNACXKE-GOSISDBHSA-N 458.584 2.397 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C 1748875212 NOVQNVJZGUVHQM-IBGZPJMESA-N 454.575 2.377 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(Sc2ccccc2)CC1 1748892677 UVBFLHYTUHZRKT-NRFANRHFSA-N 499.662 2.399 30 10 JEEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N(C)CCN1CCN(c2ccccc2)CC1 1749037530 GFDHDGWWTPLMPP-OAQYLSRUSA-N 454.644 2.407 30 10 JEEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)Cc1ccccc1F 1749037809 JRXIAZCDPMIBPK-IBGZPJMESA-N 481.619 2.143 30 10 JEEE C=C1CCN(c2nnc(-c3nn(CCC)c(=O)c4ccccc34)n2CCS(=O)(=O)N(C)C)CC1 1749298045 PJISKXPEXKTWJK-UHFFFAOYSA-N 485.614 2.113 30 10 JEEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C(C)=O)cc2F)CC1 1749456363 CRMPEWQEWWFHKQ-FQEVSTJZSA-N 470.549 2.490 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CCN(C)C1 1749601078 WSQWIOKLIGATEY-MBSDFSHPSA-N 464.611 2.056 30 10 JEEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@H](c2ccnn2C)C1 1749609294 MHTQQVSEVVVKFF-GOSISDBHSA-N 455.588 2.499 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@@H](CN(CC)CC)C1 1749668803 FIPUVZLZDAOQMJ-GHTZIAJQSA-N 454.575 2.261 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 1749677866 MWUXAZGMWSCYDS-HXUWFJFHSA-N 493.612 2.410 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@]1(C)CCO[C@@H]1C1CC1 1751217253 BQHAGNIGXAZYEB-AXNOTKAXSA-N 450.609 2.224 30 10 JEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)c2ccc(C)s2)CC1 1760154840 KBNBJIWXGWONCZ-QGZVFWFLSA-N 475.640 2.362 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@H](C)SC)[C@H]1CCS(=O)(=O)C1 1760180467 FZEYMARYUSRIRL-WBVHZDCISA-N 494.639 2.349 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2Cl)n1CC(=O)NCC1CC1)[C@H]1CCS(=O)(=O)C1 1760184656 YECCOJQHJXIFPP-INIZCTEOSA-N 496.420 2.405 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Cl)n1C[C@@H]1CCOC[C@H]1OC)[C@H]1CCS(=O)(=O)C1 1760185384 WLTMVIZBEGCCJL-ABSDTBQOSA-N 479.002 2.277 30 10 JEEE C#CCN(c1nnc(COc2ccccc2OC)n1C[C@@H]1CCOC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1760193213 WVHGUVDDCGREAR-AABGKKOBSA-N 488.610 2.165 30 10 JEEE C#CCN(CC#C)c1nnc([C@H](CC)c2ccccc2)n1CCS(=O)(=O)N1CCSCC1 1760197208 XVDXXARTXYOJOS-OAQYLSRUSA-N 471.652 2.271 30 10 JEEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H](C(C)C)N2CCOCC2)CC1 1760262256 WJEJWNYTHGYIOB-HSZRJFAPSA-N 472.584 2.259 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(NC(=O)CCC)cc2)CC1 1760268921 RAXMSVUSGXXTJK-UHFFFAOYSA-N 488.596 2.431 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(C)C)C(=O)C1 1760327237 FANIHIQETZWKKZ-MPJJRAAHSA-N 461.607 2.288 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2noc(C)n2)C1 1760412674 PKKCQJMFQQYPOP-HOTGVXAUSA-N 450.565 2.052 30 10 JEEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1760427799 IRTOMDIVPZCUDL-KRWDZBQOSA-N 475.575 2.166 30 10 JEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(N(C)C)cc1C)C1CC1 1760476694 CXVRVGFNZSNFME-OAQYLSRUSA-N 474.631 2.189 30 10 JEEE C=CCOc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCN(C(=O)CN3CCOCC3)CC2)cc1 1760530013 OHGMVNLDUXBZHP-UHFFFAOYSA-N 496.656 2.461 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC2(O)CCN(C(C)C)CC2)C1 1760538791 WKJWCVQECALCQP-BWKNWUBXSA-N 477.650 2.335 30 10 JEEE CC(C)C[C@@H](C(=O)N1CC[C@@H](NS(=O)(=O)c2ccccc2C#N)C1)N1C(=O)c2ccccc2C1=O 1858311784 DLZNFLATSZNXDW-NQIIRXRSSA-N 494.573 2.148 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H](C)O)[C@H]2c2ccc(O)c([N+](=O)[O-])c2)cc1OC 1862578428 FCKXBAXFOMGZNM-WLRWDXFRSA-N 458.423 2.277 30 10 JEEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1862685562 ZKQZJZWAHHIAEO-WLRWDXFRSA-N 458.398 2.464 30 10 JEEE C=CCNC(=O)C1=C(N)Oc2c(c(CC)nn2-c2ccccn2)[C@H]1c1ccc(O)c([N+](=O)[O-])c1 1864953434 KBAYUZMJGNMFON-GOSISDBHSA-N 462.466 2.440 30 10 JEEE CCCC[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1)C(=O)Nc1cccc(C#N)c1 1866592933 OTSKEXNMOGRLGG-HSZRJFAPSA-N 497.621 2.422 30 10 JEEE C=CCn1cc(OCC(=O)N2CCOCC2)c(=O)cc1CN1CCN(c2ccccc2Cl)CC1 1870582113 RRVBEQPORYNJPL-UHFFFAOYSA-N 487.000 2.248 30 10 JEEE C=CCn1c(C(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)cc2c(NCCc3cnc[nH]3)ncnc21 1873619609 JAFIPHJKTWUUDG-UHFFFAOYSA-N 470.493 2.473 30 10 JEEE COc1cc(C(=O)NCC(=O)NC2CCN(Cc3ccc(C#N)cc3)CC2)cc(OC)c1OC 1873723963 AEUNOJQDYJDCKT-UHFFFAOYSA-N 466.538 2.095 30 10 JEEE COc1ccc(N2C[C@@H](c3nnc(SCCO)n3/N=C/c3ccccc3O)CC2=O)cc1 1874197976 JEJLFQOHQMBKDW-OHHQFBAHSA-N 453.524 2.479 30 10 JEEE C=CCN(CC(=C)Br)S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2249451908 YKQRCDKGTSEZBS-OAHLLOKOSA-N 461.334 2.092 30 10 JEEE Cc1sc(CNC(=O)[C@@H](CO)NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1C 2256621329 SXIBHHWGPQBQEO-CQSZACIVSA-N 454.398 2.166 30 10 JEEE CC(C)(C)OC(=O)N1CC([C@@H](F)C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)C1 2256623512 QZUGQFSRGZWROQ-CQSZACIVSA-N 455.361 2.264 30 10 JEEE CN(Cc1ccccc1)[C@@]1(CNC(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)CCOC1 2266993981 OTFQEKXYNHLCRE-HSZRJFAPSA-N 457.405 2.463 30 10 JEEE C[C@@H](NC(=O)OC(C)(C)C)c1nc(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)n[nH]1 2267156603 MDWMZGHRUGLIJV-SNVBAGLBSA-N 464.357 2.398 30 10 JEEE CO[C@H]1CN(C(=O)c2nc(C)sc2B2OC(C)(C)C(C)(C)O2)C[C@H]1NC(=O)OC(C)(C)C 2267165929 LKUTXZGRHOQHBA-KGLIPLIRSA-N 467.397 2.115 30 10 JEEE Cc1c(C(=O)NCCC[C@@H](C)NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267527197 CWLFJFTZBDDBIZ-CQSZACIVSA-N 450.389 2.451 30 10 JEEE CC(C)(C)OC(=O)NCC1(NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2Cl)COC1 2267537580 ITRYHEGYYNEQMP-UHFFFAOYSA-N 467.759 2.058 30 10 JEEE CCCN(CCNC(=O)OC(C)(C)C)S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2267703906 DQQDGHKHEWVBPN-UHFFFAOYSA-N 469.413 2.306 30 10 JEEE CC1(C)OB(c2csc(S(=O)(=O)NC[C@@H]3COCCN3Cc3ccccc3)c2)OC1(C)C 2267715934 FRCWTIRTYCVBNE-LJQANCHMSA-N 478.445 2.227 30 10 JEEE CC1(C)OB(c2csc(S(=O)(=O)N[C@H](COCc3ccccc3)CC(=O)O)c2)OC1(C)C 2269040059 XJUVHYFQERXJMB-KRWDZBQOSA-N 481.401 2.386 30 10 JEEE C#CCN(C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C1CCN(C(=O)OC(C)(C)C)CC1 2281929731 CZAXSZLMQPJBSH-UHFFFAOYSA-N 458.368 2.184 30 10 JEEE Cc1c(C(=O)N2C[C@@H]3C[C@@H]3[C@@H]2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281978560 FOSDIIAXYOUXLJ-JYJNAYRXSA-N 460.384 2.013 30 10 JEEE Cc1c(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2F)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281991126 WLSVYMWTDXRNSE-CABCVRRESA-N 466.363 2.105 30 10 JEEE C[C@H]1CN(C(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C[C@H](C)C1NC(=O)OC(C)(C)C 2282037479 WCVPZPKHDGPPSU-GJZGRUSLSA-N 462.400 2.341 30 10 JEEE Cn1nc(C(=O)NC[C@@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2282045097 YKQRFCUXIABDIP-WHEQGISXSA-N 480.802 2.360 30 10 JEEE Cc1c(B2OC(C)(C)C(C)(C)O2)cccc1C(=O)N1C[C@@H](O)C[C@H](NC(=O)OC(C)(C)C)C1 2282110885 RNKFAWMGAUVCKZ-IRXDYDNUSA-N 460.380 2.394 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2C[C@@H](NC(=O)c3ncncc3B3OC(C)(C)C(C)(C)O3)C[C@H]21 2282175594 XNTFVEIZDDTNBB-KLZNWCGWSA-N 458.368 2.197 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](O)CN1C(=O)c1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2282464465 AUIQENIQQSNZET-HZPDHXFCSA-N 464.343 2.225 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@]12CCC[C@H]1N(C(=O)OC(C)(C)C)CC2 2282538044 ZVZHNRMPFIZBCQ-MWTRTKDXSA-N 460.384 2.381 30 10 JEEE Cn1ncc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC(C)(C)C2)c1B1OC(C)(C)C(C)(C)O1 2282573299 YIDJWDZKKQZVMU-HNNXBMFYSA-N 462.400 2.485 30 10 JEEE CN(C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2282578947 YBHWNPVNIWVYGN-MRXNPFEDSA-N 462.400 2.438 30 10 JEEE Cc1c(C(=O)N[C@@H]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282592936 KBRHNAFWICKGPO-ARFHVFGLSA-N 460.384 2.013 30 10 JEEE Cc1c(C(=O)N2CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282593170 MPZDYVBKJGVKCH-GDBMZVCRSA-N 462.400 2.403 30 10 JEEE C=C(CS(=O)(=O)N1CCN([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1)B1OC(C)(C)C(C)(C)O1 2282874637 DAOQBVWBSIRDIP-SFHVURJKSA-N 485.456 2.131 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@@]2(NC(=O)c3nccnc3B3OC(C)(C)C(C)(C)O3)C[C@H]2C1 2283063043 QIKJTPMNPLKBPU-NPMXOYFQSA-N 458.368 2.295 30 10 JEEE COc1ccc(C=Nn2c(Cc3ccccc3[N+](=O)[O-])nnc2SCC(N)=O)cc1OC 2328465552 ZWBPEQLISQZRFU-UHFFFAOYSA-N 456.484 2.254 30 10 JEEE C=CCN(CC=C)c1nc(NC(=O)C=Cc2ccc3c(c2)OCCO3)n([C@H]2CCS(=O)(=O)C2)n1 2331675570 ALLOVNARRSLGLO-SFHVURJKSA-N 485.566 2.239 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1C[C@H](NC(=O)OC(C)(C)C)C12CCC2 2362460452 FFCKLPBEYOQUOJ-GJZGRUSLSA-N 460.384 2.285 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(=O)O)N(c2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)C1 2371995891 HNDCOVZWNQQHTG-BBRMVZONSA-N 465.331 2.467 30 10 JEEE COC(=O)c1ccc(/C=N/Nc2nc(SCC(=O)NCc3cc(OC)cc(OC)c3)n[nH]2)cc1 20905708 SLFXMNQLFIUZEW-WYMPLXKRSA-N 484.538 2.463 30 10 JEEE C=CCN1C(=O)N[C@@H](c2ccc(Cl)cc2)C2=C1CN(CC(=O)NCCc1ccccn1)C2=O 35968866 FPYWGVCWLURTSP-QFIPXVFZSA-N 465.941 2.443 30 10 JEEE O=C(N[C@@H]1CCNC[C@@H]1C(=O)/C=C/c1ccc([N+](=O)[O-])s1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 585838891 MQJSXRGXBMOWLU-PYGQRODKSA-N 475.439 2.463 30 10 JEEE N#Cc1ccc(CNC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c(F)c1 609229272 ZNIDHKKOYBVMPA-UHFFFAOYSA-N 492.960 2.280 30 10 JEEE C#CCn1c(-c2ccc3c(c2)NC(=O)[C@@H](C)O3)csc1=NCc1ccc(S(N)(=O)=O)cc1 727971676 MNSPPZGXZSNRAJ-CQSZACIVSA-N 468.560 2.318 30 10 JEEE COc1cc(C=NNc2nnc(SCC(=O)Nc3cccc(C)c3)n2N)cc([N+](=O)[O-])c1O 1084599823 STYOGAKLPIRVNO-UHFFFAOYSA-N 472.487 2.100 30 10 JEEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2F)C1 1150855969 CHYHEGMWURGWKU-CZUORRHYSA-N 450.923 2.413 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCO[C@H](C)c1ccccc1 1286294837 FUCGTKLYIRSAHC-QKNQBKEWSA-N 475.615 2.237 30 10 JEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(C(=O)NC2CC2)cc1 1286349606 KTQKOYMAFMPMBH-LJQANCHMSA-N 455.584 2.122 30 10 JEEE C#CCN(c1nnc(-c2cccc(Br)c2)n1CCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1286384177 PYOIHVPSTDUAGU-IBGZPJMESA-N 492.443 2.430 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1CCc1nccs1)[C@@H]1CCS(=O)(=O)C1 1286391386 CZQKQXWSBOAIHQ-QGZVFWFLSA-N 459.572 2.334 30 10 JEEE C#CCN(c1nnc(CC)n1C[C@@H](C)c1nc(-c2ccccc2)no1)[C@@H]1CCS(=O)(=O)C1 1286393314 JYEUIJOQTGNALI-SJLPKXTDSA-N 454.556 2.321 30 10 JEEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1286437595 PEDSYROBWGFUNA-XLIONFOSSA-N 459.513 2.043 30 10 JEEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1c(C)nn(-c2ccccc2)c1C 1286451668 MWMJFNWLLIWSGC-KRWDZBQOSA-N 455.588 2.199 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2CCCN2CCCO[C@H](C)C2)CC1 1286473493 NHFWNRBMRAMXIY-OAQYLSRUSA-N 452.603 2.210 30 10 JEEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1286498770 AJKYEMPUGMDSNJ-GJZGRUSLSA-N 451.574 2.478 30 10 JEEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(CC(F)F)CC1 1286499125 DOWFXJXRBOFJNO-UHFFFAOYSA-N 469.583 2.102 30 10 JEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2nc3cc(OC)ccc3n2C)CC1 1286651394 CFMRJRBKSMTMPD-HNNXBMFYSA-N 473.603 2.234 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1286782141 LQJRMBNAWXIWMW-ZWKOTPCHSA-N 476.375 2.394 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCN(Cc2cc(C)on2)CC1 1286817021 OALATRBDBXFFQH-UHFFFAOYSA-N 474.562 2.304 30 10 JEEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]2CCC[C@H]21 1286831718 JOWRAIRFULTPLC-KSZLIROESA-N 455.650 2.299 30 10 JEEE CCN(CC)C(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)CN2CCOCC2)CC1 1295347280 GVUGZNQKVQWHAR-NRFANRHFSA-N 494.644 2.369 30 10 JEEE CN(C)c1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2cccc(C#N)c2)cn1 1298055400 CLTRMDTUGDZPQU-FQEVSTJZSA-N 465.583 2.198 30 10 JEEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@H](CNC(C)=O)C1 1300403178 FVAHFCYOWXBGKG-GOSISDBHSA-N 457.604 2.004 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1Cc1ccccc1COC)[C@H]1CCS(=O)(=O)C1 1300487387 ISZRQWGCMJLNRX-FQEVSTJZSA-N 453.568 2.105 30 10 JEEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OC)cc1C(F)(F)F 1300602553 RSLGKQQXJAVJOW-CYBMUJFWSA-N 459.494 2.424 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2sccc2C)n1 1300681023 JZHHCQSFCBXWIZ-GOSISDBHSA-N 488.639 2.081 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2cc(OC)ccc2OC)CC1 1300685110 GKXKDVBMIIDJNE-VWLOTQADSA-N 469.586 2.139 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1300716968 VPGNDYZWEPFQRH-HXUWFJFHSA-N 478.597 2.178 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2nccs2)CC1 1300718568 SUBATRHLZMNSEL-UHFFFAOYSA-N 451.512 2.324 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2Cc2nnc(C(C)(C)C)s2)CC1 1300731049 AJMFXNYQYNZPSH-MRXNPFEDSA-N 457.604 2.293 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 1300952311 QHUPCBJLSAXYCT-QUCCMNQESA-N 491.589 2.426 30 10 JEEE C=CCN(Cc1cccs1)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCCS(=O)(=O)C1 1301357865 SSVIUIAWESAOMV-INIZCTEOSA-N 451.618 2.495 30 10 JEEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1301508314 HTBJWDRQTDNHFU-UHFFFAOYSA-N 495.628 2.102 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1CC1 1301531112 COQAOJISYQQXHO-FQEVSTJZSA-N 461.588 2.070 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCN2CCCS2(=O)=O)C1 1301556710 LQUPXWAJRRELTG-LJQANCHMSA-N 466.007 2.339 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1301569489 XKEMIPOEWLTSJQ-APWZRJJASA-N 450.609 2.111 30 10 JEEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 1301609506 KLGYMYFSAGFFPI-WOJBJXKFSA-N 456.616 2.004 30 10 JEEE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3cccc(C#N)c3)n2CCCNC(=O)C2CCC2)C1 1301653024 NVQYOYWKKOUZMP-FQEVSTJZSA-N 463.586 2.428 30 10 JEEE N#Cc1cccc(-c2nnc(N3CCO[C@H](C(F)(F)F)C3)n2CCCN2CCOCC2)c1 1302989147 IEWVUUAFSMDGGV-SFHVURJKSA-N 450.465 2.307 30 10 JEEE CN(C)C1(Cn2c(N3CCN(c4ccc(C#N)cn4)CC3)nnc2C(C)(C)C)CCOCC1 1314659324 DDJPRGULLIHIAU-UHFFFAOYSA-N 452.607 2.280 30 10 JEEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(S(C)(=O)=O)CCCC2)CCO1 1315934102 HBIJRHJDBXVJTK-IBGZPJMESA-N 459.572 2.026 30 10 JEEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)Nc2c(C)cccc2C)CC1 1358933578 YBRFTQDZDCNWJV-UHFFFAOYSA-N 477.613 2.191 30 10 JEEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CCSC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1358956133 AWVVKCPGISCZDV-MAUKXSAKSA-N 496.577 2.198 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC1(O)CCCC1)[C@H]1CCS(=O)(=O)C1 1358956310 DIBAQIJTMMFAEV-HKUYNNGSSA-N 476.574 2.489 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1ccc(N(CC)CC)nc1)[C@@H]1CCS(=O)(=O)C1 1358960435 DWNALLINYWXAJN-LJQANCHMSA-N 467.599 2.189 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1cccc(COC)c1)[C@@H]1CCS(=O)(=O)C1 1358962164 LRAWEXCIFHGVBE-RTWAWAEBSA-N 458.584 2.341 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCCN(C)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1358964183 VDNQFQHJRXAZAQ-OALUTQOASA-N 495.646 2.056 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1Cc1ccc(C)nc1)[C@H]1CCS(=O)(=O)C1 1358965620 YIWNFCUPRMKFRP-IBGZPJMESA-N 456.597 2.012 30 10 JEEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(NC(=O)OC(C)(C)C)COC1 1358985570 BTVXYRVTJVOYGX-VWLOTQADSA-N 487.601 2.075 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CC[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)CC1 1359028508 VBAWABWDDBJOJF-ISKFKSNPSA-N 477.657 2.472 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2CCCS(=O)(=O)Cc2ccccc2)CC1 1359045083 WMGAJHVRNUKBRY-UHFFFAOYSA-N 469.611 2.126 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 1359131872 HWBULUHIHYLWMB-KRWDZBQOSA-N 455.519 2.057 30 10 JEEE C=C(C)COCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@@H](C(N)=O)C1 1359133137 MEVNBUCKAZCOAD-GOSISDBHSA-N 462.595 2.297 30 10 JEEE C=CCN(C)c1nnc(Cc2csc(C)n2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1359242994 ZSSNMFZPSRNNOQ-SJLPKXTDSA-N 450.634 2.460 30 10 JEEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1359303334 KPNWVEGAVDDGOD-UHFFFAOYSA-N 479.629 2.484 30 10 JEEE C=CCS(=O)(=O)CCn1c(CSc2ccc(C)cc2)nnc1N1CCC[C@H](C(=O)NC)C1 1359335175 CMUKXZCSOVOBJU-SFHVURJKSA-N 477.656 2.442 30 10 JEEE C#CC[C@]1(C(=O)NCCOc2ccc(S(C)(=O)=O)cc2)CCCN1C(=O)OC(C)(C)C 1360048376 DCWGSXYKCZXJOJ-JOCHJYFZSA-N 450.557 2.378 30 10 JEEE CCC1(Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3ccc(C#N)cn3)CC2)CCOCC1 1497742278 ABSLPFLNTJCMTM-UHFFFAOYSA-N 466.590 2.216 30 10 JEEE COc1ccc(Br)c(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CC(=O)N2CCOCC2)c1 1504138151 CDLPNTOFMMGPIG-HXUWFJFHSA-N 493.337 2.017 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccnc1OC 1504873021 APQVBGYCWSTMFN-FQEVSTJZSA-N 461.526 2.206 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2CC(C)(C)N2CCOCC2)c1 1507549933 BZSMLGCHPRZYPS-NRFANRHFSA-N 480.613 2.339 30 10 JEEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1507578840 CMKUIDIYFMXHSH-MRXNPFEDSA-N 488.434 2.249 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCSC1(C)C)[C@@H]1CCS(=O)(=O)C1 1507638154 DRQRTHSVIFDMJS-RBUKOAKNSA-N 476.672 2.298 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)(C)C)n2Cc2cccc(N3CCOCC3)n2)n1 1507717222 RRNNVONBBUDFSS-UHFFFAOYSA-N 492.628 2.338 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc4ccccc4o3)n2CC[S@](=O)CC)CC1 1507734435 NBUUHFFHZXJIDK-JGCGQSQUSA-N 453.568 2.426 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2CC2(COC)CCOCC2)CC1 1507739359 GIPXONFBCPUDKM-UHFFFAOYSA-N 479.625 2.472 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H]2CCOC[C@@H]2OC)CC1 1507742995 UZIUXGLGBNMYCA-GCJKJVERSA-N 487.551 2.164 30 10 JEEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1507754138 SSAOZJRXWBIHDA-HSZRJFAPSA-N 488.564 2.328 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1508072189 CJSVBRAGQWZHPG-GOSISDBHSA-N 482.976 2.298 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C(=O)c2ccccc2)CC1 1508073501 YDHRXIMGZBAGCT-UHFFFAOYSA-N 473.537 2.327 30 10 JEEE C=CCOc1ccccc1Cn1c(C)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1508107071 YDXQBSIVZFYHDC-QHCPKHFHSA-N 454.619 2.431 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc3cccnc23)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1508135145 DUQFFVYWCQUNKR-KRWDZBQOSA-N 484.582 2.371 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCC([C@H]2CCOC2)CC1 1508145307 ZFPCPFDEMJXHME-SFHVURJKSA-N 465.645 2.488 30 10 JEEE CO[C@@H](C)Cn1c(COc2ccc(C)cc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1517778755 CPGZOHMYIVZYSC-SFHVURJKSA-N 464.574 2.441 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)N(Cc3ccccc3F)[C@@H]3CCS(=O)(=O)C3)cc2C1=O 1531967281 IFEIMCLNQLIDDJ-QGZVFWFLSA-N 456.495 2.437 30 10 JEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 1539053691 XVUZEHCZUVYENU-ZWKOTPCHSA-N 482.651 2.433 30 10 JEEE C#CCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1539093967 INHIXHGNMGRWCL-LPHOPBHVSA-N 454.506 2.443 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H](OC)c1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 1539200820 PDLZJRKWYVPDFN-RBUKOAKNSA-N 494.017 2.084 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1CCOc1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 1539216435 RTFZHZYHPZKCNT-QGZVFWFLSA-N 472.958 2.094 30 10 JEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](c2cccc(F)c2)C1 1539497965 PFKJPJHKFPUAFO-RDJZCZTQSA-N 451.593 2.388 30 10 JEEE C=C(C)COCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCN(C)C(=O)[C@H]1C 1539744678 SPNUOCBQAVKGCY-GOSISDBHSA-N 479.585 2.496 30 10 JEEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1539963362 SATHJPAGQUNMTL-NJYVYQBISA-N 471.650 2.212 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(CC)Cc1cnn(C)c1 1540861656 ASVCKOHWYJAWPO-UHFFFAOYSA-N 450.547 2.209 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCC(c2ccnn2C)CC1 1540904740 PWWKDXIFZRCPNM-UHFFFAOYSA-N 475.644 2.352 30 10 JEEE C=CCSCCn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1540912916 FPGSTNVJPCEQCF-IBGZPJMESA-N 492.671 2.199 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1Cc1nccn1C(F)F 1541909249 AMUZWUSZAUEZJM-CYBMUJFWSA-N 464.502 2.036 30 10 JEEE CC1CCN(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](CNS(C)(=O)=O)C2)CC1 1544514335 ICMQWXBWOLWKPO-NRFANRHFSA-N 485.658 2.314 30 10 JEEE N#Cc1ccc(OCc2nnc(N3CCN(C4CCCC4)CC3)n2CC(=O)NCC(F)(F)F)cc1 1555990295 AZYKZFDXMFXEGF-UHFFFAOYSA-N 491.518 2.472 30 10 JEEE CC(=O)N1CCN(c2ccccc2CNC(=O)N2CCN(c3ccsc3C#N)CC2)CC1 1563864624 FCWSHSJOTAQJTF-UHFFFAOYSA-N 452.584 2.320 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2C[C@@H]2CCCN(C(C)=O)C2)c1 1587692770 LCOZXDDPHUFRRE-RTWAWAEBSA-N 464.570 2.097 30 10 JEEE C#CCN(c1nnc(-c2ccc(Br)s2)n1CC1(C)COC1)[C@H]1CCS(=O)(=O)C1 1588039718 CPIAMZALWRNIII-ZDUSSCGKSA-N 485.429 2.432 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCCOC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1588050325 RIIWASOLIJEKQM-OAHLLOKOSA-N 457.478 2.202 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CCN1CCCC[C@H]1CC)[C@@H]1CCS(=O)(=O)C1 1588064884 QODHRXUNJGAZAK-FGZHOGPDSA-N 470.643 2.155 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(NC(=O)C2CCC2)c1 1588139537 OPWBROGHTCTDOL-FQEVSTJZSA-N 465.579 2.040 30 10 JEEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(CCN2[C@@H](C)CC[C@@H]2C)CC1 1589047944 ODMKTXLFJYSCSJ-PMACEKPBSA-N 456.664 2.040 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1593775722 CXNHKCSBGXHEQD-QZTJIDSGSA-N 474.606 2.310 30 10 JEEE CC(C)NC(=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1CCCN1C[C@H](C)O[C@H](C)C1 1608242287 BDXXTZUWUOWMRG-KDURUIRLSA-N 453.591 2.424 30 10 JEEE C=CC(C)(C)CCCNC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 1684994485 NCZCSIZYXFHCDK-UHFFFAOYSA-N 450.561 2.026 30 10 JEEE C#CCCCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1689898203 WSNXSWRVZXVYQV-UHFFFAOYSA-N 469.615 2.228 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CCCc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1689982956 XTWGNNQDQNEEAP-URXFXBBRSA-N 490.601 2.329 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@@H]1OCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1689985950 FULCRTGUFIMZQI-XLIONFOSSA-N 458.584 2.396 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1CC1(CC)CCOCC1)[C@H]1CCS(=O)(=O)C1 1689993441 DNVHPDZDHZOGIE-IBGZPJMESA-N 477.656 2.467 30 10 JEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1Cc1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1689994155 SHOTZNGZQVNVLP-FQEVSTJZSA-N 483.594 2.352 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nc2c(s1)C[C@@H](C)CC2 1690046326 AVKVWUASTMUXKR-IRXDYDNUSA-N 457.625 2.273 30 10 JEEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2Cc2cccc(NC(=O)CC(C)C)c2)CC1 1690120554 YQYKBXBQQZFNEA-UHFFFAOYSA-N 460.586 2.467 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H](C2CC2)N(C)C)CC1 1690140069 KRHFCEJEQGJMNK-LJQANCHMSA-N 455.994 2.300 30 10 JEEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1690218296 BPHSIYXOXYLHTO-UHFFFAOYSA-N 479.354 2.426 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc(Cn2nc(C)cc2C)n1C[C@]1(O)CCS(=O)(=O)C1 1690571663 FOPFRNHKWUKQKR-HSZRJFAPSA-N 488.589 2.021 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNC(=O)C1CC1 1690571874 LVEMHIZGVMKQHE-SFHVURJKSA-N 461.563 2.038 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(OC)c(OC)c2OC)C1 1690685249 YVQKTAWJBOQCOD-GOSISDBHSA-N 471.558 2.370 30 10 JEEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1690731183 BWGQBOPKENHYEF-UHFFFAOYSA-N 452.588 2.027 30 10 JEEE CC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1)OC 1694375100 DSEAQLCATLCAER-QFIPXVFZSA-N 493.612 2.182 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 1705495152 LJARAJUZGXSFRK-BZSNNMDCSA-N 465.620 2.285 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H](C)CN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1705566061 LREJAQUKBKLOEF-ACRUOGEOSA-N 463.648 2.268 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@H]1CCCN(C(C)=O)C1)[C@@H]1CCS(=O)(=O)C1 1705571240 XDBDLESAHQZACP-JTHBVZDNSA-N 483.638 2.063 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccccc2OCCN(C)C)CC1 1705652741 LOTICHJFKNBCFI-HSZRJFAPSA-N 480.613 2.084 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H]1CC(=O)N(CCOC)C1 1705715357 BLNQQIHRQNAHAE-QGZVFWFLSA-N 465.558 2.491 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCCN(C(=O)C(C)C)CC1 1705906423 DIKCWZWEQSSJET-UHFFFAOYSA-N 468.602 2.471 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC(Oc2ccc(C)cc2)CC1 1705927726 DXUONMDDVRNWOH-UHFFFAOYSA-N 487.626 2.471 30 10 JEEE CCn1nc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H](OC)C(C)(C)C)c2ccccc2c1=O 1710303887 FWYGYOORLLAEOZ-LPHOPBHVSA-N 465.558 2.465 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2CC2(N(C)C)CCOCC2)c1 1722304723 DLMCGFWQMCQXQU-UHFFFAOYSA-N 475.597 2.451 30 10 JEEE C#CCN(c1nnc(COc2ccccc2OCC)n1[C@@H]1C[C@H]1CF)[C@@H]1CCS(=O)(=O)C1 1722370298 NBXUSIIQWZUESP-RCCFBDPRSA-N 462.547 2.413 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CCc1ccncc1)[C@H]1CCS(=O)(=O)C1 1722371359 VNCXXLQRUGCZIT-FQEVSTJZSA-N 469.542 2.261 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccc(Br)cc2)n1C[C@@]1(C)COCCO1 1722386559 CCTWXWQYGRWFDQ-NRFANRHFSA-N 459.344 2.498 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1722421539 RFYDGMRTTMUWBA-UHFFFAOYSA-N 475.553 2.157 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2CCCN(CC(C)C)C2)CC1 1722434418 QZPFMZUGZGDMTH-QFIPXVFZSA-N 498.697 2.472 30 10 JEEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@H]2CCOC[C@H]2OC)CC1 1722440281 HPJZTPYWEGNBAL-FYYLOGMGSA-N 453.587 2.281 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](CC)Oc2ccccc2F)CC1 1722448726 YELYWDSAXUMQII-ICSRJNTNSA-N 482.560 2.192 30 10 JEEE C#CCSCCn1c(N2CCC[C@H](C(N)=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1722463446 CGUKPDRYYAPUAH-YESZJQIVSA-N 462.620 2.117 30 10 JEEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC=C(Br)C1 1722479252 GYWQKDREZUPIPR-JTQLQIEISA-N 469.203 2.286 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2C)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1722497509 XCDPMUDPZWJJSJ-IRLDBZIGSA-N 480.613 2.408 30 10 JEEE C=CCCOCCn1c(CNC(=O)c2cccs2)nnc1N1CCC2(CCN(C)C2=O)CC1 1722627945 UQPQEKUKHAQDBK-UHFFFAOYSA-N 472.615 2.311 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCO[C@@H](c2ccc(F)cc2Cl)C1 1722697192 JBTMKYNDIVIARY-GOSISDBHSA-N 457.897 2.408 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCN2CCCO[C@H](C)C2)C1 1722719924 CHLMWUDDEJOLAJ-FGZHOGPDSA-N 457.623 2.422 30 10 JEEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2F)CC1 1722731631 AXJRMFPVOOHGEJ-MRXNPFEDSA-N 468.624 2.273 30 10 JEEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C(C)(C)C)C1 1722738810 PVWBBOCECWLWHI-IRXDYDNUSA-N 457.666 2.403 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1723600500 FPSVGJMLKVKSDF-HOYKHHGWSA-N 466.590 2.215 30 10 JEEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC(OCC(N)=O)CC1 1740597619 WPROJKAUIUNOBY-SFHVURJKSA-N 460.579 2.234 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@@H](OC)C(C)C)CC1 1740698075 RFQCHRDFSKNXGX-OAQYLSRUSA-N 457.575 2.397 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@](C)(O)c2ccco2)CC1 1740701365 DVRYACQFSUCNLY-VWLOTQADSA-N 458.522 2.283 30 10 JEEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1740712892 XYPINEPGJZOBNO-UHFFFAOYSA-N 472.640 2.481 30 10 JEEE C#CCSCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCO[C@H](C#N)C1 1740714964 AVZAPAWPMWHXOE-QGZVFWFLSA-N 463.567 2.331 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1C1OCCO1 1740774758 ZXYLIMHGQISZDJ-FQEVSTJZSA-N 491.614 2.107 30 10 JEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCOc2ncccc2Cl)CC1 1740833437 PUOHUCJYQKTRAZ-CQSZACIVSA-N 454.984 2.418 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@@H](NC(=O)CC)C1 1740956854 SGHGJOGICAOYKX-MRXNPFEDSA-N 460.966 2.404 30 10 JEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(c2cnn(C)c2)CC1 1741002696 KVQJEDXOJJLAMU-KRWDZBQOSA-N 450.634 2.217 30 10 JEEE C#CCCCn1c(COc2ccc(C)cc2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1748761484 ZLLUDCYMFGMUHD-UHFFFAOYSA-N 450.587 2.323 30 10 JEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)Cc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1748802945 UKHGMLJSIUPCBS-PZJWPPBQSA-N 499.637 2.028 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCc2ccc(OC)c(F)c2)CC1 1748979058 UIZRGHFCHOSTDR-VWLOTQADSA-N 471.577 2.464 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2cc(OC)c(OC)c(OC)c2)CC1 1748990581 JBZOANCRJXQLIT-LJQANCHMSA-N 455.559 2.001 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2CCOc2ccccc2)CC1 1749015325 DAGAFYDSXKRGBU-UHFFFAOYSA-N 492.605 2.314 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1749132770 CUIRKFVIORKLFG-REWPJTCUSA-N 488.658 2.495 30 10 JEEE COCc1nc(Cn2c(-c3ccc(C#N)cc3)nnc2N(CCS(C)(=O)=O)C2CC2)cs1 1749451029 BASSRHFJBZXOAL-UHFFFAOYSA-N 472.596 2.481 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(CC)[C@H](C)C1 1749670624 ULSQMGOUQIWTKH-RTBURBONSA-N 475.638 2.225 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCSc2ccccc2)C1 1749713185 PPQCIYOKKCEYGW-ICSRJNTNSA-N 493.655 2.185 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(F)ccc2Br)nnc1N1CCS(=O)CC1 1749723627 AWKFXFVLJAUGTP-UHFFFAOYSA-N 491.408 2.016 30 10 JEEE CC(C)NC(=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1CC1CCN(CCN(C)C)CC1 1750914143 DRLIDATYMQDSRD-UHFFFAOYSA-N 466.634 2.198 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2COc3ccccc3O2)n1CC1(OCCOC)CCOCC1 1760116827 KMHJYAUTZTXFGF-GHTZIAJQSA-N 456.543 2.461 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCCSC)c1 1760128758 RJRJILLTGHJIFI-SFHVURJKSA-N 475.640 2.380 30 10 JEEE C#CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1760165765 DLWYEDQSSDWAHT-QGZVFWFLSA-N 462.396 2.048 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCN(C)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 1760187605 KKGXQSDFFIHHGC-IRLDBZIGSA-N 477.675 2.453 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1CCNC(=O)c1cccs1)[C@@H]1CCS(=O)(=O)C1 1760191449 HNVFHOAOEBKUML-HXUWFJFHSA-N 497.646 2.182 30 10 JEEE C#CCN(CCOC)c1nnc(C2(c3ccccc3)CCC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1760244014 KKEXDVCYBRMZOP-FQEVSTJZSA-N 471.627 2.116 30 10 JEEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1760279052 PLLMIHHUTPFOGZ-UHFFFAOYSA-N 484.651 2.469 30 10 JEEE C=C(Br)Cn1c(-c2cnccn2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1760305663 MSHHNIBXFNCLTP-HUUCEWRRSA-N 464.368 2.011 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](C(N)=O)C1 1760319607 TUMQJDYDAPFXQV-CMKODMSKSA-N 473.599 2.032 30 10 JEEE C=C(Cl)Cn1c(Cc2cn3ccccc3n2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1760376846 GHVLDAUOUWZIJZ-UHFFFAOYSA-N 463.995 2.129 30 10 JEEE C=CCN(CCOC)c1nnc(-c2c[nH]c3ccccc23)n1C[C@H]1CCN(S(C)(=O)=O)C1 1760502833 NRMPQQSYALFVAJ-KRWDZBQOSA-N 458.588 2.347 30 10 JEEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(COC)CCC2)C1 1765671992 IEHRGXSSLMVZPC-LJQANCHMSA-N 458.588 2.151 30 10 JEEE CCOC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)C(C)(C)C)CC1 1765698054 FZMUKDAHHHFUBT-UHFFFAOYSA-N 453.547 2.258 30 10 JEEE CCO[C@]1(c2nnc(N3CCN(c4cc(C#N)ccn4)CC3)n2C[C@H](CC(C)C)N(C)C)CCOC1 1767472360 DUEYHSFEHADSBP-BKMJKUGQSA-N 496.660 2.500 30 10 JEEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)NC(C)(C)C)C[C@@H](C)O1 1769520541 GPEDBHGCMIUASI-XLIONFOSSA-N 470.574 2.274 30 10 JEEE O=C(C1=C(O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccccc1[N+](=O)[O-])c1ccc2c(c1)OCO2 1862630597 XLYNEEGODIVXGQ-OAQYLSRUSA-N 481.461 2.234 30 10 JEEE O=C(C1=C(O)C(=O)N(CCCO)[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccc([N+](=O)[O-])cc1 1862762788 RVKHPILHKIIJGX-LJQANCHMSA-N 485.405 2.235 30 10 JEEE COc1ccc(NC(=O)[C@@H](CO)NC(=O)C2CCN([C@@H](C#N)c3cccs3)CC2)cc1[N+](=O)[O-] 1866867544 QBUXXXDHJDILGF-AEFFLSMTSA-N 487.538 2.057 30 10 JEEE N#Cc1nnn(-c2ccc(F)c(Cl)c2)c1NC(=O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1870155688 ZUMMEMXQMHGOGK-UHFFFAOYSA-N 483.803 2.464 30 10 JEEE C=CCn1cc(OCC(=O)NCc2ccc(OC)cc2)c(=O)cc1CN(CCO)CCCC 1870648289 RCEXSXWKTWZBPF-UHFFFAOYSA-N 457.571 2.333 30 10 JEEE C=CCN(CC=C)c1nc(=NCc2ccc(O)cc2)nc(Nc2ccc(S(N)(=O)=O)cc2)[nH]1 1871508135 NZYRGJIZZWGUIN-UHFFFAOYSA-N 467.555 2.181 30 10 JEEE CC(=O)c1cccc(S(=O)(=O)N2CCC(OCC#CCN3CCN(C(C)C)CC3)CC2)c1 1890511045 NUENQACTETXEDE-UHFFFAOYSA-N 461.628 2.088 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1COCCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2255876340 BWFOELZWWPFBSV-AWEZNQCLSA-N 452.382 2.413 30 10 JEEE C[C@@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)N(C)Cc1csc(B2OC(C)(C)C(C)(C)O2)c1 2256624668 OOOMFFGQPCHJBW-CJNGLKHVSA-N 454.398 2.280 30 10 JEEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2256627188 SQKVRQPNPMLDTM-CHWSQXEVSA-N 452.386 2.091 30 10 JEEE C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)n1 2256627929 ZJBPWHFNERTYPH-FZMZJTMJSA-N 455.748 2.247 30 10 JEEE CO[C@@H](C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1)C1CN(C(=O)OC(C)(C)C)C1 2256666725 VSBKKVHDRVEEQF-CQSZACIVSA-N 453.370 2.263 30 10 JEEE CC(C)(C)OC(=O)N1CCOCC[C@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2257545631 SDMWKIFHZSGGEP-ZDUSSCGKSA-N 453.370 2.407 30 10 JEEE CO[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2267149319 LBFISAMCGNBHEL-CABCVRRESA-N 467.397 2.197 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCN(S(=O)(=O)Cc2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267463626 BGCQNFKVZQOGMZ-SFHVURJKSA-N 466.409 2.415 30 10 JEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)c1C 2267507806 UYNZOGVOUDUCPV-HUUCEWRRSA-N 466.409 2.374 30 10 JEEE CC(C)(C)OC(=O)N1CCN(c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)[C@@H](C(=O)O)C1 2269007823 PBEUJPHJEPXLTE-OAHLLOKOSA-N 451.304 2.030 30 10 JEEE Cn1nc(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)cc1B1OC(C)(C)C(C)(C)O1 2281965373 JIUUQATZMPQXEJ-JYJNAYRXSA-N 460.384 2.237 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(C(=O)OC(C)(C)C)CC(C)(C)C1 2282038540 JUYPQWIQCDOYHG-UHFFFAOYSA-N 462.400 2.438 30 10 JEEE CC(C)CN(C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)C1CN(C(=O)OC(C)(C)C)C1 2282177324 YYMVDPBDSCTICF-UHFFFAOYSA-N 460.384 2.493 30 10 JEEE CN(Cc1ccccc1)[C@]1(CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)CCOC1 2282185935 NPLNPRSVOJIBRI-VWLOTQADSA-N 451.376 2.402 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CCN(Cc2ccccc2)C(C)(C)C1 2282328635 AKMJCLOTKLNPGU-UHFFFAOYSA-N 474.436 2.004 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2C(CNS(=O)(=O)c3cccc(B4OC(C)(C)C(C)(C)O4)c3)[C@H]2C1 2282346203 UIGVLFVOFHJVKY-RTBURBONSA-N 478.420 2.377 30 10 JEEE Cc1c(C(=O)NCC2(C)CC(NC(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282550736 CQDSBBGNZZQLPA-UHFFFAOYSA-N 462.400 2.451 30 10 JEEE Cn1cc(C(=O)N2[C@H]3CC[C@H]2CC(NC(=O)OC(C)(C)C)C3)nc1B1OC(C)(C)C(C)(C)O1 2282550969 GORKTOKMAGVOIY-HOTGVXAUSA-N 460.384 2.380 30 10 JEEE Cc1c(C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282554568 GAUJJBHQMFUKSD-ZBFHGGJFSA-N 462.400 2.403 30 10 JEEE CON(C(=O)c1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2282558378 IAVTUBURZGLADE-OAHLLOKOSA-N 464.372 2.041 30 10 JEEE CCc1nn(C)c(C(=O)N(CC(=O)N(C)C)Cc2ccccc2)c1B1OC(C)(C)C(C)(C)O1 2282558800 LDAKUVXFOKGYQN-UHFFFAOYSA-N 454.380 2.012 30 10 JEEE CC(C)[C@H]1[C@@H](NC(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2282559901 RTMRCGSZRBILJO-IRXDYDNUSA-N 462.400 2.483 30 10 JEEE Cc1c(C(=O)N2CC[C@H](C)N(C(=O)OC(C)(C)C)CC2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282593926 XEKKVCQBBQRUBA-HNNXBMFYSA-N 462.400 2.499 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1[C@H]2C[C@H]2CN1C(=O)OC(C)(C)C 2282600142 VTSGKMCIBDVDLP-HRCADAONSA-N 460.384 2.013 30 10 JEEE CC(C)(C)OC(=O)N1CCC2(CC(NC(=O)c3ncc(B4OC(C)(C)C(C)(C)O4)cn3)C2)C1 2282613549 MCSAYVUHXSZWBJ-UHFFFAOYSA-N 458.368 2.295 30 10 JEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CCN(Cc3ccccc3)C(C)(C)C2)n1 2282629676 YWUYFSCIKKKNLA-SFHVURJKSA-N 453.396 2.287 30 10 JEEE C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1N(C)C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2282686518 TYQNYZOURQWYCK-RDJZCZTQSA-N 460.384 2.493 30 10 JEEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)[C@@H](C#N)C1 2282860108 VOWYCOHHBDHFSP-KRWDZBQOSA-N 477.392 2.119 30 10 JEEE CC(C)(C)OC(=O)N1CCN(CCOc2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)C(=O)C1 2282993913 HLESDCRQZPKMEK-UHFFFAOYSA-N 461.368 2.026 30 10 JEEE COc1ccc(NC(=O)CSc2n[nH]c(=NN=CC=Cc3ccccc3)n2N)c(OC)c1 2313701674 VRVUMADGMRAANY-UHFFFAOYSA-N 453.528 2.273 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2C[C@H]1C[C@H]2NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2359280775 RLOYDVZDZQAZNT-DIECFANBSA-N 458.368 2.197 30 10 JEEE COc1ccc(OC)c(NC(=O)CSc2nnc(N/N=C/c3ccc(N(C)C)cc3)n2N)c1 20527651 DBRCNUSQHXZQSO-FSJBWODESA-N 470.559 2.252 30 10 JEEE COC(=O)c1ccc(/C=N/Nc2nnc(SCC(=O)Nc3cc(F)ccc3C)n2N)cc1 20913403 CTWDHAOJHVPWJP-AUEPDCJTSA-N 457.491 2.403 30 10 JEEE CC(=O)c1ccc(-c2ccc(C=NNc3nc(N4CCOCC4)nc(N4CCOCC4)n3)o2)cc1 1081103627 WUVUUGINFLLMBR-UHFFFAOYSA-N 477.525 2.453 30 10 JEEE COc1cc(C=NNc2nnc(SCC(=O)Nc3c(F)cccc3F)n2N)cc([N+](=O)[O-])c1O 1084585202 NROISWMPQXDBIU-UHFFFAOYSA-N 494.440 2.069 30 10 JEEE COc1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)cc1N1CCCCC1=O 1136239499 BRUUXPNMSLGPOZ-HNNXBMFYSA-N 456.524 2.389 30 10 JEEE C#CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1C[C@@H](COC)O[C@H](C)C1 1286349458 XKFFZMCRBYNRAV-MSOLQXFVSA-N 450.543 2.328 30 10 JEEE C#CCN(CCOC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCc1ccn(C)n1 1286466483 HELLKJQPCUELAZ-UHFFFAOYSA-N 471.606 2.455 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2Cc2ccc([C@@H](C)O)cc2)CC1 1286492845 AVNUNSPUGQPAEA-LJQANCHMSA-N 458.566 2.331 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@H]2CCCO2)CC1 1286493452 BBOMMBDZVJLBHY-UXHICEINSA-N 486.617 2.495 30 10 JEEE C#CCSCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1286504628 UDRVNTFIVZIYBP-FQEVSTJZSA-N 485.639 2.015 30 10 JEEE C=C(Br)Cn1c(COc2ccccc2OC)nnc1N1CCC(OCC(N)=O)CC1 1286546801 FNYNZGRFGBRACY-UHFFFAOYSA-N 480.363 2.245 30 10 JEEE C=C(C)Cn1c(-c2noc3c2COCC3)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 1286592022 CIASFVVZEBRYQF-CQSZACIVSA-N 458.544 2.427 30 10 JEEE C=CCCCCn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1286685819 USCDLSKXMRXHGO-UHFFFAOYSA-N 455.954 2.290 30 10 JEEE C=CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCN(CC(=O)N(C)C)CC1 1286693018 RQDOUHFZRKCDLT-UHFFFAOYSA-N 464.412 2.223 30 10 JEEE C=CCCCn1c(N2CCN(c3ccc(C(N)=O)cc3)CC2)nnc1[C@]1(OCC)CCOC1 1286705292 XBCQWZCWVBLMHY-DEOSSOPVSA-N 454.575 2.322 30 10 JEEE C=CCN(C)c1nnc(-c2cccc(Br)c2)n1CCNS(=O)(=O)Cc1ccon1 1286716994 PLLNSWUUNUNVDV-UHFFFAOYSA-N 481.376 2.437 30 10 JEEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc2c(cc1OC)C[C@@H](C)O2)C1CC1 1286731645 CDGJMDVMWJEAQH-CABCVRRESA-N 461.588 2.423 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1CCOC2(CCCCC2)C1 1286814652 VJYSZEDJGUJUMB-UHFFFAOYSA-N 467.636 2.337 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](c2nccs2)C1 1286817650 VVXYMXKBIFQRBK-SFHVURJKSA-N 470.580 2.452 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 1286818490 JKSPSWFLUARSFR-SFHVURJKSA-N 474.631 2.320 30 10 JEEE C[C@@H]1CCCN([C@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@H](C(N)=O)C2)C1 1291107314 HZTSKMPSIZMUFB-GGPKGHCWSA-N 451.575 2.161 30 10 JEEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(C)(=O)=O)C[C@H](c2ccsc2)O1 1291217603 FDRMBVAIFRKTEL-DNVCBOLYSA-N 472.596 2.394 30 10 JEEE Cc1cccn2cc(CCNC(=O)[C@@H](CC(C)C)/N=C3/NS(=O)(=O)c4ccccc43)nc12 1294272984 DIBBGSRINHNKHY-LJQANCHMSA-N 453.568 2.455 30 10 JEEE COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC2(C(N)=O)CCCC2)cc1Br 1300076394 FYATYFOBFOQZIX-HNNXBMFYSA-N 489.374 2.491 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCNC(=O)c1cccc(C)c1 1300299913 UVEGFKKTGWUUKI-SFHVURJKSA-N 479.610 2.435 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1cnn(CCOC)c1 1300329242 OTPPQBPLMYDJSD-YTQUADARSA-N 457.579 2.398 30 10 JEEE C#CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1300403874 QPYSVQMZBARRCK-SJORKVTESA-N 470.599 2.346 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1Cc1nc2cc(OC)ccc2n1C)[C@@H]1CCS(=O)(=O)C1 1300485441 WKOJCJWZCYFYBT-IAGOWNOFSA-N 470.599 2.362 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCOc1ncccc1F)[C@H]1CCS(=O)(=O)C1 1300488807 GXDDOUHLTCBFIV-SFHVURJKSA-N 485.541 2.194 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1CCSCc1ccccc1)[C@H]1CCS(=O)(=O)C1 1300490718 CETYSCIDTZCBFV-IBGZPJMESA-N 468.608 2.295 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1300521057 RTGFJXTXTABRTP-IRLDBZIGSA-N 467.595 2.231 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCSc1ccccc1 1300577864 DFMHMMGUZBQCFO-NRFANRHFSA-N 487.651 2.256 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC(C)(C)COC)CC1 1300700074 LKRQNYMUFPDKKA-IBGZPJMESA-N 476.622 2.014 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(C)cc2OC)CC1 1300732780 PEPWKFSXURVCQL-GMAHTHKFSA-N 481.597 2.333 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1Cc1cccc(OCC(=O)N(C)C)c1 1300778601 ATVGLOGTUKNUMW-RUZDIDTESA-N 464.570 2.022 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(CS(C)(=O)=O)cc2)CC1 1301125284 NFUWDBGFBMXWAF-HXUWFJFHSA-N 478.640 2.176 30 10 JEEE C=CCC(C)(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1301141956 TZCNMKKZHBDLHS-UHFFFAOYSA-N 499.645 2.383 30 10 JEEE COCc1ccc(Cn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@@H](C#N)C2)cc1 1301163326 DKEGBRUMFCVIJG-SFHVURJKSA-N 452.540 2.193 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1301485663 ZWIYDLAFNYHRSA-GJZGRUSLSA-N 462.304 2.124 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1301492899 QWCFHZLTFNHVPW-UHFFFAOYSA-N 452.559 2.237 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1301493393 XTPQAVWOFXDJAO-ATLLOTDBSA-N 485.585 2.427 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1ccc(OCCN(C)C)cc1 1303846837 CHVSXJMXCIOYON-MBSDFSHPSA-N 489.646 2.007 30 10 JEEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCCCS(C)(=O)=O 1358954586 NOSHXPOPZQEDFO-CALCHBBNSA-N 453.609 2.333 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CC[C@](C)(CC)O1)[C@@H]1CCS(=O)(=O)C1 1358962086 KCJNXMCLCUUSNM-GHDARCQNSA-N 450.605 2.494 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(Br)s2)n1CCC(=O)N1CCOCC1 1359021042 ZRYWBQWKHCZIRG-UHFFFAOYSA-N 482.404 2.104 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccn3C)n2C[C@]2(O)CCC[C@H]2C)n1 1359027629 PQXYLOSATYYVLH-NTKDMRAZSA-N 451.575 2.317 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CC(=C)Cl)CC1 1359043760 HOZKUWIZOHRNSX-UHFFFAOYSA-N 479.972 2.393 30 10 JEEE C=CCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1359289556 QCJWUIOTZUFNIC-UHFFFAOYSA-N 466.586 2.402 30 10 JEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2ccc(OC)c(F)c2)CC1 1507587767 ADEGRVZWKYEQKA-IBGZPJMESA-N 475.590 2.064 30 10 JEEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1cccc(C(=O)NCC)c1)[C@H]1CCS(=O)(=O)C1 1507621781 CIFXZQOVIMAOIH-PXNSSMCTSA-N 457.600 2.216 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2cccc(C)c2C)n1CC(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 1507621820 CXEDCYUCSOSMQR-VQTJNVASSA-N 487.626 2.186 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCC(=O)Nc1ccccc1)[C@H]1CCS(=O)(=O)C1 1507630822 IKXJQVFHYQCZQZ-FQEVSTJZSA-N 478.578 2.304 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1CCCCc1ccccc1)[C@H]1CCS(=O)(=O)C1 1507631291 NSFHZKNVROJBRA-FQEVSTJZSA-N 450.568 2.385 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H](c1cccnc1)C(C)C)[C@@H]1CCS(=O)(=O)C1 1507632459 LPMDESSTIPBVFI-NJDAHSKKSA-N 457.600 2.244 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccccc1OCC)[C@H]1CCS(=O)(=O)C1 1507637737 MNNGQOQQLDAFMM-ONTIZHBOSA-N 488.610 2.076 30 10 JEEE C#CCSCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@H](C)CC(N)=O 1507756206 YMAVNOHXUMKFNC-SJORKVTESA-N 464.636 2.459 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCC(=O)NC 1507799356 RJLOZGJPEUMSJM-HBFSDRIKSA-N 492.621 2.140 30 10 JEEE C=C(C)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1507830261 ZRZNFSGSWGHYFG-QGZVFWFLSA-N 485.614 2.330 30 10 JEEE C=C(C)COCCn1c(N2CCO[C@H](COC)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1507849152 SFCMNFLQMDVQCN-OTWHNJEPSA-N 465.595 2.493 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2C[C@@H](C)O[C@@H](COC)C2)cc1 1508101114 UDXMMNJFCWECPN-YFVAEKQCSA-N 476.599 2.033 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(C)(C)NC(=O)OC(C)(C)C)C1 1508124943 NDMBUKKEDDNYQD-IAGOWNOFSA-N 483.635 2.265 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCC1(O)CCOCC1 1508642195 GTUSRABBKXYPJD-ROUUACIJSA-N 476.578 2.010 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)CN1C(=O)N[C@@](C)(c2ccc(Br)cc2)C1=O 1538571850 JKJSIYAJTHLXMA-VOWSPCBNSA-N 450.333 2.314 30 10 JEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 1539053689 XVUZEHCZUVYENU-QZTJIDSGSA-N 482.651 2.433 30 10 JEEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1539079407 SZSNWPYUGUOGEW-XMMPIXPASA-N 482.677 2.174 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccccc1OCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1539222215 UPSLXBYAKIZKDF-MSOLQXFVSA-N 498.527 2.398 30 10 JEEE C#CCN(c1nnc(COCC)n1CCc1csc(C(C)(C)C)n1)[C@H]1CCS(=O)(=O)C1 1539231799 WPUYWZJCAOIPAX-KRWDZBQOSA-N 465.645 2.438 30 10 JEEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1539421440 SOVURVUGVVHWLF-SFTDATJTSA-N 457.623 2.114 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC2(O)CC(OCC)C2)CC1 1539461989 PTZVWUFMDBQGJU-UHFFFAOYSA-N 459.978 2.196 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC(C)(C)C(=O)NC)CC1 1539469691 UPFPYQAHKOGDFB-KRWDZBQOSA-N 484.576 2.295 30 10 JEEE C=C(Cl)Cn1c(N2CCN(CC(=O)N3C[C@H](C)C[C@@H](C)C3)CC2)nnc1[C@@]1(OCC)CCOC1 1539823377 BJHJTSHBIGPNCK-KHCICDEESA-N 495.068 2.309 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c(-c2cnccn2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1)C(C)C 1540151656 KDZBLYKNOZAING-RZUBCFFCSA-N 464.618 2.396 30 10 JEEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1540868468 GOTKHILPSOCRGB-OAHLLOKOSA-N 489.502 2.244 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N1CCN2CCCC[C@H]2C1 1540898810 VPBIDNWGBSUAND-KRWDZBQOSA-N 497.463 2.321 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 1540902787 QGESFEZLUFKJIM-ZWKOTPCHSA-N 497.980 2.200 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCc2ccc(OC)cc2C1 1540903248 AENJKFLRVYPERH-UHFFFAOYSA-N 453.568 2.436 30 10 JEEE Cc1nc(Br)sc1C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1543120471 ADPCLQHQIUUEMA-UHFFFAOYSA-N 455.359 2.232 30 10 JEEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(CC2CC2)n1CC[S@@](=O)C(C)(C)C 1544582217 IBOJIHUZRUWJIC-HEJPQYQCSA-N 456.620 2.155 30 10 JEEE COCCN1C[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(CC(C)C)C(=O)[C@@H]2C)CC1=O 1555574720 HZMPEKILLWFMFE-PZJWPPBQSA-N 493.612 2.005 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCCN(CC)S(C)(=O)=O 1587620593 IALPIEIJDKCILW-GOSISDBHSA-N 499.641 2.365 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCCCCC2)nc1 1587640390 QVBIQVSNXOFVFE-ICSRJNTNSA-N 456.616 2.462 30 10 JEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1587766852 ZNPSYRLOWWTFRX-FSSWDIPSSA-N 482.610 2.158 30 10 JEEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2cccnn2)CC1 1587783763 WYWCUTUUQGHKEB-UHFFFAOYSA-N 450.572 2.190 30 10 JEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1587823557 VARAGEKULBZSIY-UHFFFAOYSA-N 495.565 2.392 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1CCS(=O)(=O)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1588030233 RILKBOPIJOYWRH-QUCCMNQESA-N 478.640 2.033 30 10 JEEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCNC(=O)C1CCC1 1588276075 HPAITRWALVPJMZ-UHFFFAOYSA-N 471.631 2.313 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccccc3Br)n2CC2(S(C)(=O)=O)CC2)CC1 1588790888 GGUAQRJVHLRCRJ-UHFFFAOYSA-N 478.416 2.040 30 10 JEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(O)(Cc2cccc(C)c2)CC1 1588984103 FWXSDMABYFPICA-LJQANCHMSA-N 491.683 2.137 30 10 JEEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(CC(C)C)CC1 1589008477 VNIUJTFNNBXAFR-UHFFFAOYSA-N 461.657 2.493 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCCN1CCC(C)CC1 1589215917 IBYVDTMHXLVNIC-ZJSXRUAMSA-N 492.690 2.115 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCCN(C(=O)C(C)C)CC1 1589568576 KZHLZHCJBHRPIE-UGKGYDQZSA-N 458.607 2.076 30 10 JEEE C=C(C)Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1589701343 ZTMXWZKXPBJEOD-WIYYLYMNSA-N 459.639 2.152 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](CN2CCCCCC2)C1 1593636940 USQPNLJHPXWNMG-RTWAWAEBSA-N 480.679 2.280 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1594497316 FMJKYVYATRDQOO-PMACEKPBSA-N 465.664 2.331 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H]1CCCCO1 1594497787 MGTFMWXOBJBEPN-ROUUACIJSA-N 455.625 2.219 30 10 JEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](OCCC)CC1 1594733252 POQVLVXQPUBDNL-MOPGFXCFSA-N 455.625 2.363 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(N(C)C)CCOCC1 1595116908 XLTJVKBVNTYEQV-NRFANRHFSA-N 473.643 2.484 30 10 JEEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](Nc2cc(OC)cc(OC)c2)C1 1595405605 TZDIIHBCGLIWRX-DLBZAZTESA-N 461.588 2.464 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 1595537638 UYBISVBQKQENTM-NQIIRXRSSA-N 472.977 2.135 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1cccc(NC(=O)C2CCC2)c1 1611686282 DESHPIPEZKWAQC-IVZQSRNASA-N 489.577 2.117 30 10 JEEE C=CC[C@@H](CO)CNC(=O)c1cccc(NC(=O)C[C@@H]2SC(N3CCCCC3)=NC2=O)c1 1631912689 KEZNIXZZGVHLLI-APWZRJJASA-N 458.584 2.414 30 10 JEEE N#Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(Br)cc3-c3nn[nH]n3)CC2=O)cc1 1641969144 FFANRJNWBWUFKA-LBPRGKRZSA-N 452.272 2.492 30 10 JEEE COCCN1[C@@H](C)CN(CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)C[C@H]1C 1654016527 HOSBBTGWQRYNKR-ZCNNSNEGSA-N 457.619 2.397 30 10 JEEE CS(=O)(=O)c1ccccc1CNC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 1673671172 BHNZXSGQKJQCFG-UHFFFAOYSA-N 455.496 2.242 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccnc(OCC(F)(F)F)c1 1689851561 SIYPEXJXGAKKCE-UKRRQHHQSA-N 457.478 2.023 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2CCNC(=O)c2ccco2)c1 1689871791 FGDSPFDPYKEUCY-UHFFFAOYSA-N 483.532 2.343 30 10 JEEE C#CCCCCn1c(CCCc2ccccc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1689900629 LHCKQMKFJHULTK-UHFFFAOYSA-N 464.614 2.430 30 10 JEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2c(ncn2-c2ccc(C)cc2)C1 1689913904 XLYXUHDYKIZGJQ-SFHVURJKSA-N 467.599 2.359 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1cccnc1OCCC)[C@@H]1CCS(=O)(=O)C1 1689989509 GEVGECUGLUKXQZ-WOJBJXKFSA-N 473.599 2.031 30 10 JEEE C#CCN(c1nnc(C2CCCC2)n1CC1(SC)CCN(C)CC1)[C@@H]1CCS(=O)(=O)C1 1689991209 YHASUHAYIYXAQO-LJQANCHMSA-N 465.689 2.390 30 10 JEEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1CCCn1cccn1)[C@@H]1CCS(=O)(=O)C1 1689996600 KLFJTYPCOLWOQL-OAQYLSRUSA-N 482.610 2.387 30 10 JEEE C#CCN(c1nnc(COc2ccccc2CC)n1CCn1cc(C)cn1)[C@@H]1CCS(=O)(=O)C1 1689996800 OONQMTRKAXXEIO-OAQYLSRUSA-N 482.610 2.251 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1C[C@H](c1ccc(C)cc1)N1CCOCC1 1690030501 WGYUIOACUUIULU-HSZRJFAPSA-N 462.598 2.261 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@](C)(O)c1ccco1 1690042735 ADNZPIKNEPLBJI-HSZRJFAPSA-N 466.567 2.202 30 10 JEEE C#CCN(CCOC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@]1(O)CCc2ccccc21 1690094258 XPZUKBFIPGBUOF-DQEYMECFSA-N 454.571 2.239 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@@H]2CC[C@H](CO)O2)CC1 1690117592 NOBLKQUNRIVNKQ-DLBZAZTESA-N 478.366 2.142 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@H](C)N(C)C)CC1 1690137294 SXIJFOQRHIUVLN-ROUUACIJSA-N 456.566 2.473 30 10 JEEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1690165879 MIEIQTGPRPLCDN-UHFFFAOYSA-N 498.653 2.073 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)CCN1CCOC(C)(C)C1 1690234903 QQAKFDMDAHGYRG-WOJBJXKFSA-N 460.623 2.042 30 10 JEEE C=CCN(c1nnc(-c2cc(OC)ccc2Br)n1C[C@@]1(O)CCS(=O)(=O)C1)C1CC1 1690538130 AREIRSLYTRJFJV-FQEVSTJZSA-N 497.415 2.421 30 10 JEEE C=CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1690744655 RABIELYGGGVOKK-ZWKOTPCHSA-N 457.666 2.199 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1CCCN1C[C@H](C)O[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1705570794 QXPUGBIVVYGIEF-ZDXQCDESSA-N 499.681 2.303 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCNC(=O)[C@@H](C)CCC 1705583168 RTCFQSBADPCQCH-PMACEKPBSA-N 486.617 2.212 30 10 JEEE C#CCN(CCOC)c1nnc(Cc2c(F)cccc2F)n1CCS(=O)(=O)C(C)(C)C 1705629514 KZJATQFHAILFKH-UHFFFAOYSA-N 454.543 2.446 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C3(c4ccccc4)CCC3)n2CCCS(C)(=O)=O)CC1 1705645212 NZFUDLBIOVMEJO-UHFFFAOYSA-N 483.638 2.149 30 10 JEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC2(CCCC2)C1 1705805511 IUMMZJITRBGBHH-SFHVURJKSA-N 453.609 2.117 30 10 JEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(OCC(C)C)c1 1705843803 NXMVXFIEIGZYPT-HXUWFJFHSA-N 463.604 2.316 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1csc(C(C)C)n1 1705844061 VBNFZPQFASOWLU-INIZCTEOSA-N 454.622 2.056 30 10 JEEE C=CCN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCNS(C)(=O)=O)C1CC1 1705856417 RNDWQSWHTYBPDH-KRWDZBQOSA-N 468.624 2.444 30 10 JEEE C=CCN(CC=C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1705871807 XZHGBVUTIOHAFU-HXUWFJFHSA-N 497.415 2.444 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@]2(CCOC2)C1 1705937093 IITLNSPNMGSEMU-QHCPKHFHSA-N 460.600 2.290 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2OC)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1705938269 SVHZELMOAFBSSW-RTBURBONSA-N 476.599 2.472 30 10 JEEE C[C@@H]1COCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(NS(C)(=O)=O)CC1 1708250052 HBCKDMVXUPBCDC-APWZRJJASA-N 458.588 2.007 30 10 JEEE CCCCn1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CC(=O)N2CCOCC2)c(C)n1 1709634845 FRHKEJLSMAIXOM-UHFFFAOYSA-N 476.585 2.465 30 10 JEEE CS(=O)(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCSC2)C1 1712694844 AVCDMOZTINXQQW-MJGOQNOKSA-N 461.613 2.495 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C)n2C[C@H]2CCCN2c2cc(NC)ncn2)c1 1722304969 KCCURDSIGFGPRR-HXUWFJFHSA-N 459.558 2.143 30 10 JEEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccccc1CN1CCC[C@H]1CO 1722343364 GVHZODYJTPCMOS-OZXSUGGESA-N 467.614 2.393 30 10 JEEE C#CCN(C)c1nnc(-c2ccc(Br)s2)n1C[C@H]1CC(=O)N(CCOC)C1 1722346105 MPJCIUJFVDCNGI-ZDUSSCGKSA-N 452.378 2.333 30 10 JEEE C#CCN(c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@H]1CC[C@H](CO)O1)[C@@H]1CCS(=O)(=O)C1 1722358515 CCLWQABEWDFPAP-BHIFYINESA-N 486.638 2.409 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@]1(O)CCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1722372071 ORHUDFXSZAAOIA-YOSAUDMPSA-N 472.611 2.343 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCc1cc(OC)ccc1OC 1722398347 ZYCIONCVONIEBD-HXUWFJFHSA-N 470.595 2.293 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cc2ccccc2o1 1722413231 KFJDGZRXOHTVLA-FQEVSTJZSA-N 457.556 2.059 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2Cc2ncccc2N(C)C)CC1 1722432716 ZLPLVTSTPPJTSC-UHFFFAOYSA-N 493.015 2.126 30 10 JEEE C#CCN1CCN(c2nnc(C3CCCC3)n2CC[C@H](N2CCOCC2)C(F)(F)F)CC1 1722436636 JNRMYAVLSAUGHC-IBGZPJMESA-N 454.541 2.344 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCC(=O)Nc2ccccc2)CC1 1722447886 OVPXLVDTGQELOG-FQEVSTJZSA-N 464.570 2.167 30 10 JEEE C#CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@H](CNC(C)=O)C1 1722459176 DZBYDETWXCCOMW-HXUWFJFHSA-N 482.658 2.171 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC(CC#N)CC1 1722690022 CYQFEYVOUJRMHA-UHFFFAOYSA-N 455.950 2.294 30 10 JEEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(=O)N(C)C2CCCCC2)CC1 1722692146 FTGKREUSLZHELR-UGKGYDQZSA-N 460.623 2.101 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CCOC)[C@@H](C)C1 1722730800 DAYUQVDROCTMRN-FQEVSTJZSA-N 468.602 2.284 30 10 JEEE C=CCSCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCNC(=O)C1 1722737858 TWZNMJBOYWWQOU-UHFFFAOYSA-N 453.572 2.091 30 10 JEEE C[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](C(F)(F)F)C1)N1CCOCC1 1723855941 GJWJFNAORVGLQZ-VQIMIIECSA-N 480.491 2.217 30 10 JEEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1cccc(C(=O)N(C)C)c1)[C@H]1CCS(=O)(=O)C1 1740616831 HUXSYPWDBVRBKZ-PXNSSMCTSA-N 457.600 2.168 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC(O)(CC)CC)[C@H]1CCS(=O)(=O)C1 1740619467 OUWGDGGSZVTESC-SFHVURJKSA-N 461.544 2.031 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1740619658 QKUTZLPGTXKSGU-AWEZNQCLSA-N 488.488 2.160 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC2([S@](C)=O)CCC2)CC1 1740701177 XDUKALZTCOKBGJ-DTYRLCEBSA-N 490.674 2.105 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@H]2OCC[C@H]2C)CC1 1740708382 NNTLLIZQHLCVKI-AUSIDOKSSA-N 465.598 2.463 30 10 JEEE C#CCSCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCO[C@H](CNC(C)=O)C1 1740721735 RSQHGOBYZPUPPK-OAQYLSRUSA-N 457.600 2.182 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H]1CCC(=O)N1 1740914703 JTMKPYQGKGGTLM-HYBUGGRVSA-N 450.543 2.273 30 10 JEEE C=CCn1c(N2CCN(Cc3cc(OC)cc(OC)c3)CC2)nnc1[C@]1(OCC)CCOC1 1740949889 WOXDYZXSNOCNHF-DEOSSOPVSA-N 457.575 2.456 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cc4c(s3)CC[C@H](C)C4)n2CCS(=O)(=O)NC)C1 1740974609 OGKKHOSKNKHSPP-RDJZCZTQSA-N 465.645 2.462 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@H](C(C)(C)C)C1 1740984962 AAIQFLMVHPQIAL-KRWDZBQOSA-N 455.625 2.049 30 10 JEEE Cc1nn(C)c(N2CCN(c3nnc([C@@H]4CCOC4)n3C[C@@](C)(O)CCC(C)C)CC2)c1C#N 1742668989 HMCXGIVFIMKHKE-DVECYGJZSA-N 470.622 2.209 30 10 JEEE CCOc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@H]2CC(=O)N(CCOC)C2)cc1OC 1746788637 FRJKERYGDRJCID-MZNJEOGPSA-N 486.548 2.289 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCCCNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1748814587 GXGMDNUYAJFRBX-MOPGFXCFSA-N 495.646 2.451 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1Cc1ccc(N2CCCC2)nc1)[C@@H]1CCS(=O)(=O)C1 1748817581 MTFCYINHNABBDV-HXUWFJFHSA-N 456.616 2.147 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1Cc1nc(C)cs1)[C@H]1CCS(=O)(=O)C1 1748818861 HJCXSXSCUROJBH-INIZCTEOSA-N 462.626 2.074 30 10 JEEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 1748830497 XKRBRDZITKQGAK-IGKIAQTJSA-N 477.609 2.294 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(C(F)(F)F)c1 1748864159 RTMBEDQKAZIFRV-OAHLLOKOSA-N 453.490 2.418 30 10 JEEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCNC(=O)C1CCC1 1748930147 ZNXFPSVYTLQWKO-LJQANCHMSA-N 474.606 2.352 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H](c2c(F)cccc2F)N(C)C)CC1 1748979431 ZNAVPKCEDFKSAZ-BWKNWUBXSA-N 488.583 2.267 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCN2CCCC2)CC1 1749000186 OVFJOVSGMQUQJG-FQEVSTJZSA-N 457.623 2.201 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCCCN2CCC[C@@H](C)C2)CC1 1749009050 LJODUUQGQMLLRJ-HXUWFJFHSA-N 466.634 2.157 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(C)(C)c2ccc(F)cc2)CC1 1749010313 PLEOEKGFPMOGME-HXUWFJFHSA-N 466.561 2.312 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@@H]2CSCCS2)CC1 1749016366 BWZIHRYSWNBSJY-LJQANCHMSA-N 456.641 2.078 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2Cc2ccc(OC)c(F)c2)CC1 1749017074 VCTCNIRAYXMEHW-UHFFFAOYSA-N 462.529 2.426 30 10 JEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(c2c(F)cccc2OC)CC1 1749044211 PCPZTGPSAQHHIO-UHFFFAOYSA-N 472.590 2.241 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1749134492 ZMJNBZNBCVFIKU-XTJBDQBJSA-N 481.645 2.282 30 10 JEEE C=C(Cl)Cn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1749261371 PZUBGXHJGWIQTM-KRWDZBQOSA-N 488.976 2.032 30 10 JEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(OCCc2ccccc2)CC1 1749630724 ZZXSWNPRUWTLOU-OAQYLSRUSA-N 475.615 2.025 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1749660961 XCHFOWZRKDQSJA-ICSRJNTNSA-N 491.596 2.163 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1749664573 RZQIDSLMKMAGHT-GOSISDBHSA-N 458.010 2.117 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC[C@H](CNC(C)=O)C1 1749665761 BUMLZVYXCTXIFY-GOSISDBHSA-N 463.542 2.255 30 10 JEEE C=CCS(=O)(=O)CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCN(C)C(=O)C1 1749740256 SVWPTQQIFDMBSS-UHFFFAOYSA-N 470.020 2.103 30 10 JEEE C=CCSCCn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1749751963 GHDQKRLLYCGRFK-KRWDZBQOSA-N 450.634 2.333 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1760110000 JGQZTVRNFXFEBI-WMZOPIPTSA-N 497.600 2.179 30 10 JEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](c2ccc(OC)cc2)C1 1760136959 DGYOCHXYOGFTGY-UNMCSNQZSA-N 487.626 2.417 30 10 JEEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1CCCC1)[C@H]1CCS(=O)(=O)C1 1760180684 JKXVWQMPCVODSO-SIKLNZKXSA-N 450.605 2.136 30 10 JEEE C#CCN(c1nnc(-c2ccccc2F)n1Cc1cnccc1OC)[C@H]1CCS(=O)(=O)C1 1760185078 OYUDPHYPEAKWSC-KRWDZBQOSA-N 455.515 2.163 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)N2CCCC2)n1CCCC(=O)NC1CC1 1760240066 GLLXZPQHRDAGIN-UHFFFAOYSA-N 452.534 2.352 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2Cc2cccc(C(N)=O)c2)CC1 1760263605 IIMFNINTPYDSFS-NRFANRHFSA-N 493.612 2.253 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CCNC(=O)[C@H](C)CCC)CC1 1760268463 KGHNRFFBOMUZPK-GOSISDBHSA-N 465.602 2.167 30 10 JEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CC[C@H](C(=O)N(C)c2ccccc2)C1 1760284395 LPIYJBCHHAIJQQ-IBGZPJMESA-N 466.611 2.256 30 10 JEEE C=CCCOCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(CO)CC1 1760451626 OQTNHZGQHGGZHI-IBGZPJMESA-N 465.595 2.388 30 10 JEEE C=CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1760509532 NGXPUEMFJQENKX-AWEZNQCLSA-N 475.475 2.366 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H]2CCS(=O)(=O)C2)C1 1760548077 XXCXOUROKJSKDW-AKHDSKFASA-N 495.646 2.265 30 10 JEEE CC1(C)CN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N2CCOCC2)CC(C)(C)O1 1761562015 CYZDDBUHNAEQEN-UHFFFAOYSA-N 452.559 2.459 30 10 JEEE CN(C)C(=O)CCCn1c(COc2ccc(Br)cc2)nnc1N1CCO[C@H](C#N)C1 1768439586 FYNXOQKBZDPKTG-QGZVFWFLSA-N 477.363 2.217 30 10 JEEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCn2cc(Br)cn2)CCO1 1770943413 GEBPOSSFWFQSPZ-SFHVURJKSA-N 472.347 2.328 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)CN2CCN(c3nc(O)cc(CCCC)n3)CC2)nc1C 1859430841 LFEGXYKVJGMCLI-UHFFFAOYSA-N 474.587 2.393 30 10 JEEE CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCNC(C)=O)ccc1O 1862611017 ZQQLYCXYIVCUPQ-QFIPXVFZSA-N 482.489 2.277 30 10 JEEE Cc1cc(C)cc(-n2nnc(C#N)c2NC(=O)CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1 1870155467 OOPHPFZXBCEQBI-UHFFFAOYSA-N 459.422 2.289 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NC[C@@H]2CCCO2)cn1Cc1ccccn1 1870546823 UJDODKXPCFGWGN-QFIPXVFZSA-N 452.555 2.140 30 10 JEEE C=CCNC(=O)Cc1nonc1OCC(=O)Nc1sc2c(c1C(=O)OCC)CC[C@@H](C)C2 1872649078 JBTPFYNLEVTFIG-GFCCVEGCSA-N 462.528 2.295 30 10 JEEE COc1cc(/C=N/n2c(SCC(N)=O)nnc2[C@@H]2CC(=O)N(C(C)(C)C)C2)cc(Cl)c1O 1874273178 BHWUIMKFIDEYGY-GMCBVQGUSA-N 480.978 2.220 30 10 JEEE CS(=O)(=O)c1ccc2nc(N3CC(C(=O)N4CCC(Oc5ncccc5C#N)CC4)C3)sc2c1 1891521026 RHWTWNNWHVHFDU-UHFFFAOYSA-N 497.602 2.473 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)O 2059771532 VYVKATXOPSSKOH-HUUCEWRRSA-N 454.524 2.106 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CCC(N)=O)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2206159034 DYVOKZRKSLIFON-MRXNPFEDSA-N 465.331 2.222 30 10 JEEE C=C(CCNC(=O)OC(C)(C)C)CNC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)C(F)(F)F 2246878947 JMCCVCJGYSSICY-QWHCGFSZSA-N 455.474 2.390 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1CCN1S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2247953001 QTANCYSBPANDIX-CYBMUJFWSA-N 458.411 2.335 30 10 JEEE C[C@H](NC(=O)CN(CCO)C(=O)OC(C)(C)C)c1cscc1B1OC(C)(C)C(C)(C)O1 2256612507 FORYZDAKZBMYIG-AWEZNQCLSA-N 454.398 2.454 30 10 JEEE CC(C)(C)OC(=O)N[C@@]1(C(=O)NCc2sccc2B2OC(C)(C)C(C)(C)O2)CCOC1 2256667032 NDQXVTGEFHXYNM-NRFANRHFSA-N 452.382 2.347 30 10 JEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H]1COC[C@@H]1CNC(=O)OC(C)(C)C 2267005603 NXQMZIKXWARCHK-GOEBONIOSA-N 450.341 2.157 30 10 JEEE CC1(C)OB(c2cnsc2C(=O)NC[C@]2(O)CCCN(Cc3ccccc3)C2)OC1(C)C 2267164274 PLHVDKGRZFUENB-HSZRJFAPSA-N 457.405 2.199 30 10 JEEE CN(CC[S@](C)(=O)=NC(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)OC(C)(C)C 2267263972 LWGVZWOMXSWDCK-YTTGMZPUSA-N 467.397 2.486 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@](C)(C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)C1 2268654573 BCNZPYFRXWGGRH-OAQYLSRUSA-N 467.397 2.085 30 10 JEEE CO[C@H]1CN(C(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2F)C[C@H]1NC(=O)OC(C)(C)C 2281781455 KCAPFAZWZMFTBL-SJORKVTESA-N 464.343 2.489 30 10 JEEE Cn1ncc(C(=O)N2C[C@H]3C[C@@H](C2)[C@H](NC(=O)OC(C)(C)C)C3)c1B1OC(C)(C)C(C)(C)O1 2281818092 VXFSBAPFRXVHIN-YQQAZPJKSA-N 460.384 2.095 30 10 JEEE C[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2281825842 BZYYGTCMNMVJIP-JKSUJKDBSA-N 462.400 2.485 30 10 JEEE C[C@@H]1CN(C(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)C[C@@H](C)C1NC(=O)OC(C)(C)C 2281983048 XZDLYVPJLCCHRS-HUUCEWRRSA-N 462.400 2.341 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)n1 2281995225 ZQKYEPDFEPXBSA-HZPDHXFCSA-N 462.400 2.435 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)[C@H](CO)CC1 2281999607 YHGQFINMHWNXKW-GJZGRUSLSA-N 481.424 2.180 30 10 JEEE Cc1nc(C(=O)N[C@@H]2CO[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)c(B2OC(C)(C)C(C)(C)O2)s1 2282014145 OIIPHNYUTYZGHF-KFWWJZLASA-N 479.408 2.115 30 10 JEEE CC(C)(C)OC(=O)Nc1cnn2c1N(C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)CCC2 2282579590 GVMKDSCWMKIDRD-UHFFFAOYSA-N 458.328 2.303 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2[C@@H]3CCCN(C(=O)OC(C)(C)C)[C@@H]32)n1 2282588129 DIXUQIUWBRNRLO-LESCRADOSA-N 460.384 2.330 30 10 JEEE CC(C)(C)OC(=O)N1CCN(CCCNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)CC1 2282600127 UBEJLIKJXSAIJK-UHFFFAOYSA-N 480.440 2.115 30 10 JEEE CN(C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 2282615993 VEBANYWTGALWKN-CABCVRRESA-N 463.388 2.022 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@]2(NC(=O)c3ncncc3B3OC(C)(C)C(C)(C)O3)C[C@@H]2C1 2282708828 RWGFRXMFAYBBEI-CMJOXMDJSA-N 458.368 2.295 30 10 JEEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CCNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2283059311 HNABAVUBWQAJEI-HZPDHXFCSA-N 460.384 2.399 30 10 JEEE CC[C@@H](C)N1C(=O)C(=Cc2c(C)c(C#N)c(=O)n(CC)c2N2CCN(CCO)CC2)SC1=S 2314425996 GFFWPVXVOCCSQQ-OAHLLOKOSA-N 489.667 2.162 30 10 JEEE C=C(CS(=O)(=O)NCCCOC1CN(C(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2315484605 SWCYUPDFWXTCFD-UHFFFAOYSA-N 460.402 2.119 30 10 JEEE C=CCn1c(C(=O)NCCOCCO)cc2c(N3CCN(CC=Cc4ccccc4)CC3)ncnc21 2324637361 IBNHMVJURHNCGP-UHFFFAOYSA-N 490.608 2.191 30 10 JEEE CC(C)N1C[C@H](c2nnc(SCCO)n2N=Cc2cc(Br)ccc2O)CC1=O 2329056252 TYBWATXTJAQFON-CYBMUJFWSA-N 468.377 2.437 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1[C@H]2C[C@H](CN(C(=O)[C@H]3C[C@@H]3B3OC(C)(C)C(C)(C)O3)C2)[C@H]1CO 2334271589 PNSBXJIUVZODAZ-YLALRLGGSA-N 450.385 2.449 30 10 JEEE C=CCn1c(SCC(=O)N(C)CC(=O)N2CCOCC2)nc2sc3c(c2c1=O)CC[C@H](C)C3 11019793 BVYRBKLWPXNLMJ-HNNXBMFYSA-N 490.651 2.178 30 10 JEEE C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@]2(O)C(=O)COC(=O)CCC(=O)O 15957187 WVSVAJGDZIWYBX-LJZGIGNDSA-N 460.523 2.406 30 10 JEEE biogenic C=CCn1cc(/C=N/Nc2nc(SCC(=O)Nc3nnc(SCOCC)s3)n[nH]2)cn1 59832056 NJKROJGHGRJAQM-UBKPWBPPSA-N 480.605 2.302 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)N3CCCN(c4ccc(C(=O)OCC)cn4)CC3)cc2C1=O 504027486 XCUZZRISKVOXFC-UHFFFAOYSA-N 462.506 2.393 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)[C@H](C)[S@](=O)CC(=O)Nc3cccc([N+](=O)[O-])c3)cc21 586348836 GPCBSNIAWRFGPR-RPLXOIEJSA-N 471.491 2.465 30 10 JEEE Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 1128473733 CFRRNMPTZAYNHN-UHFFFAOYSA-N 458.418 2.069 30 10 JEEE Cc1cc(O)nc(N2CCC[C@@H](NS(=O)(=O)c3ccc(Br)c(C#N)c3)C2)n1 1194789061 IDVBEPSDXVLNQK-CYBMUJFWSA-N 452.334 2.072 30 10 JEEE CCOC(=O)C1([S@](C)=O)CCN(S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CC1 1211893729 BUJHKNUDRGVPSO-NDEPHWFRSA-N 452.476 2.042 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CCCc2c[nH]nc2C)c1 1286310590 ZUOLUYYODBVCRK-UHFFFAOYSA-N 474.569 2.235 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CCCc2cccnc21)[C@@H]1CCS(=O)(=O)C1 1286381622 NTBGUSKBBYIAPW-PZJWPPBQSA-N 498.653 2.338 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@](C)(O)c1cccs1)[C@@H]1CCS(=O)(=O)C1 1286383295 LYDNJYJAKOZXQF-XXBNENTESA-N 481.603 2.413 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCN(C)CCOC 1286431742 YIOMOWBYTSGTEL-NRFANRHFSA-N 472.634 2.434 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H](C2CC2)N(C)C)CC1 1286485679 UODLSXIOZGBOQF-QHAWAJNXSA-N 471.650 2.144 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCCc2nc(C)no2)CC1 1286489622 ZLZPGICXUPDKMX-UHFFFAOYSA-N 493.568 2.252 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)cc(OC)c2)n1CCOCCS(C)(=O)=O 1286516990 BICKKLSYCVZYEQ-JOCHJYFZSA-N 462.572 2.016 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc([S@@](C)=O)cc1 1286607289 FCTGFSGXLRNCQF-YVGXBJCXSA-N 466.629 2.147 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1286607799 KDMCZEAOSUBDDH-GOSISDBHSA-N 479.578 2.025 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2CCC(OC)CC2)CC1 1286663070 FVZDNTSWMRUCFA-SOAGJPPSSA-N 467.636 2.219 30 10 JEEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCN1C[C@H](C)O[C@H](C)C1 1286722563 MLRVBWCZDKSDNQ-HDICACEKSA-N 451.575 2.314 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N(CCO)Cc1ccc(Br)s1 1286785530 NBHGAAIDHMDQOT-UHFFFAOYSA-N 477.388 2.465 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(Cl)cc2OC)C1 1286800700 PLHMGYHAMTUNPZ-RHSMWYFYSA-N 469.995 2.380 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(Cc3csc(C)n3)n2CC2CCS(=O)(=O)CC2)C1 1286813184 XTQGFKIDVDEIAQ-GOSISDBHSA-N 451.618 2.240 30 10 JEEE CC(=O)N1CC[C@@H](CN(C)c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC(F)(F)CO2)C1 1286851744 WPQLGRGHQMFOGU-ICSRJNTNSA-N 474.512 2.458 30 10 JEEE CN(C)C(=O)COc1cccc(Cn2c([C@H]3CCOC3)nnc2N2CCC[C@@](C)(C#N)C2)c1 1298016939 FYLOXNUNHJNZNB-CYFREDJKSA-N 452.559 2.427 30 10 JEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1CCN1CC=CCC1)[C@H]1CCS(=O)(=O)C1 1300499416 RHPSAGJVBFYXEO-NRFANRHFSA-N 474.030 2.411 30 10 JEEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1300745814 MCSZXXALICFQQY-QFIPXVFZSA-N 476.624 2.344 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(CC)CCS(C)(=O)=O 1300869597 MUNCXVKTBLQQNH-UYAOXDASSA-N 496.655 2.201 30 10 JEEE C=CC1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1301109957 PZLSBZDTSIGQJC-UHFFFAOYSA-N 484.420 2.378 30 10 JEEE C=CCCCCn1c(-c2ccccn2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1301182651 KMOUWBQRQPAHAR-UHFFFAOYSA-N 457.560 2.336 30 10 JEEE COC[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCOC[C@@H]2C)C1 1301282037 GSXZDNNTYOFNOZ-FPOVZHCZSA-N 454.575 2.312 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c(C)nnc1N1CCN(c2nccn3cnnc23)[C@@H](C)C1)C(C)C 1301366783 IIQINMCBUAULBR-FPOVZHCZSA-N 464.622 2.438 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1301587914 YWVQYCJTKGHWFY-HDICACEKSA-N 465.620 2.135 30 10 JEEE CC(=O)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@H](C(F)F)N2CCOCC2)CC1 1301697137 VQQGDNGOYBPYJL-OAQYLSRUSA-N 487.555 2.231 30 10 JEEE CC(C)N(CCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1)C(C)C 1303290995 BCXQUHGMOKVGCA-NRFANRHFSA-N 495.694 2.250 30 10 JEEE Cc1ccc([C@H](Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)[C@@H](C)CC#N)N2CCOCC2)cc1 1304270871 AOPJOUDAGYFFQJ-JBACZVJFSA-N 451.575 2.350 30 10 JEEE CC(=O)N1CCc2ccc(S(=O)(=O)NC3CCN(c4ccccc4C#N)CC3)cc2CC1 1309738850 FSYIDZJOSMAWHO-UHFFFAOYSA-N 452.580 2.453 30 10 JEEE CCOC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCO[C@H]2C)C1 1314030489 DCAQPPPDFKNMCC-XKDCRVNJSA-N 454.531 2.072 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CC(F)(F)CO1)[C@H]1CCS(=O)(=O)C1 1358959203 DNQDEHVKSDOUCB-LSDHHAIUSA-N 471.917 2.044 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ccc(Cl)nc1 1359020335 ZCMGOTMIUYBFLP-UHFFFAOYSA-N 489.001 2.378 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1cccnc1)C(C)C 1359069884 AOILGWCSDFJHGH-ZFGGDYGUSA-N 486.642 2.438 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCCN1CCC[C@H](C)C1 1359070417 MGUZZNXJENVWCW-AWRGLXIESA-N 492.690 2.115 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC(=O)Nc1c(C)cc(C)cc1C 1359122021 SSCCMVQDHFESEO-LJQANCHMSA-N 490.630 2.187 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCN(Cc2ccccc2)CC1 1359240593 SGGUFCLWXOTZPN-QFIPXVFZSA-N 488.658 2.145 30 10 JEEE C=CCN(CCOC)c1nnc(-c2cccn2C)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1359280039 BSGTYDLWHYZPTR-RTBURBONSA-N 462.620 2.127 30 10 JEEE C=CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC(NS(C)(=O)=O)CC1 1359287178 QGFFRJJEESUELV-INIZCTEOSA-N 468.624 2.097 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)Cc1cc(C)on1 1359332952 KYQDWYGUQSVRSJ-IBGZPJMESA-N 459.528 2.324 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 1359333026 MNFWHYOSVCYMSS-GOSISDBHSA-N 453.653 2.456 30 10 JEEE C[C@H](CC#N)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC1(S(C)(=O)=O)CCC1 1360480466 AGDWUJOPKDKFSZ-OAQYLSRUSA-N 499.685 2.348 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@H]1CC1(C)C 1360707634 HSNMLWZFCRYORD-YLJYHZDGSA-N 471.631 2.128 30 10 JEEE C=CCC[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1)C(=O)OCC 1449697680 OZLUNHPYMXWZCR-FQEVSTJZSA-N 450.557 2.304 30 10 JEEE N#Cc1cccc(-n2ccc(C(=O)NCc3ccccc3OCC(=O)NC[C@H]3CCCO3)n2)c1 1464231728 FQTKRVGNJIGKRX-OAQYLSRUSA-N 459.506 2.348 30 10 JEEE C#C[C@H](NC(=O)NCC[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)c1ccc(F)cc1 1478893870 QMQSSKJCRQJAQH-ROUUACIJSA-N 453.536 2.223 30 10 JEEE CS(=O)(=O)[C@@H]1CCCCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCSCC2)C1 1505123661 HMHSVUWDDZKVSD-HXUWFJFHSA-N 474.656 2.269 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccccc1CN1CCOCC1 1507516735 DJXXMVCNJVDAGU-CJFMBICVSA-N 453.587 2.269 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](CC)OC)c1 1507545914 CQKLYROULDSLQE-LJQANCHMSA-N 461.526 2.407 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OCC)CCOC3)n2C[C@@](C)(O)C2CC2)c1 1507549663 KGCFNJMRNNHKDE-RPBOFIJWSA-N 467.570 2.147 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2CC2([S@](C)=O)CC2)c1 1507552133 LPHQMEXLZFFNTR-XIFFEERXSA-N 462.579 2.231 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1Cc1cccc(C(=O)NCC)c1)[C@H]1CCS(=O)(=O)C1 1507621782 CIFXZQOVIMAOIH-XLIONFOSSA-N 457.600 2.216 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCc1ccc(N(C)C)cc1)[C@H]1CCS(=O)(=O)C1 1507632165 JLPITYLHTIODAP-VXKWHMMOSA-N 471.627 2.455 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H]1CCCCS1(=O)=O 1507636358 DOVXGXQAJIOCMS-FQEVSTJZSA-N 453.568 2.187 30 10 JEEE C#CCN(c1nnc(CCOc2ccccc2)n1CCc1cccnc1)[C@@H]1CCS(=O)(=O)C1 1507638016 CRKIQSFRNXOQFH-OAQYLSRUSA-N 465.579 2.164 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCCS(=O)(=O)c2ccccc2)CC1 1507736206 HQDOBBPIAXIINJ-UHFFFAOYSA-N 494.621 2.113 30 10 JEEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(C)c1 1508161775 NIOCXFSFSAKETD-IBGZPJMESA-N 465.645 2.475 30 10 JEEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCCN(c2nc(CC)ns2)CC1 1508166645 CTTIUGFOPQGAJI-UHFFFAOYSA-N 476.676 2.450 30 10 JEEE C[C@](O)(Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1)c1ccco1 1510233099 FDFIZDVSBUMWPE-AVRDEDQJSA-N 455.540 2.331 30 10 JEEE CCN(CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1)C(C)C 1515727593 HZSGWSDDMYHTSA-HSZRJFAPSA-N 499.685 2.104 30 10 JEEE CS(=O)(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCCC2)C1 1519507930 DZIIVLVNZJLMEI-IBGZPJMESA-N 459.572 2.047 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1C[C@@H]1CCOC[C@@H]1OC)[C@@H]1CCS(=O)(=O)C1 1539210869 FBDRYVGHWLVGRU-BDTNDASRSA-N 472.611 2.186 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CC(C)(C)CN(C)C)[C@H]1CCS(=O)(=O)C1 1539230339 MAHVZTJTMDDYGD-IBGZPJMESA-N 477.606 2.211 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](NC(=O)OC(C)(C)C)C(C)C)CC1 1539477782 YNHRRJRFJSSPCB-FQEVSTJZSA-N 498.632 2.194 30 10 JEEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1539513077 LQKHNWJUZRDLDH-UHFFFAOYSA-N 455.632 2.211 30 10 JEEE C#CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1539518330 YBWWFNITFBBKKC-FQEVSTJZSA-N 482.658 2.123 30 10 JEEE C=C(Br)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1539607303 BRUBQBFBCNYELA-FQEVSTJZSA-N 457.332 2.354 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCN(C(C)=O)CC1 1540865857 UWUINDUPQZNQFA-UHFFFAOYSA-N 464.526 2.088 30 10 JEEE Cc1ccc(NC(=O)c2nnc(N3CCC(CC#N)CC3)n2C[C@]2(O)CCN(C)C2)cc1C 1542423909 CHDMAVUMFZQXTO-DEOSSOPVSA-N 451.575 2.344 30 10 JEEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nc(C)c(C)s2)CC1=O 1555581705 HROICMOOKZDNPA-UHFFFAOYSA-N 451.556 2.233 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)c(Br)c1 1587638476 FMWLEOHPKMDGCV-DZGCQCFKSA-N 467.389 2.458 30 10 JEEE C#CCCCn1c(CSc2ccccc2OC)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1587894168 OWYSZBDFWJAVHI-KRWDZBQOSA-N 463.629 2.463 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCOc2cccc(F)c2)CC1 1588752844 WYHYMAUIBVZJJI-XMMPIXPASA-N 457.550 2.292 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2CC2(N3CCCC3)CCOCC2)CC1 1588885791 ZIIVFMQNIAJUEO-FQEVSTJZSA-N 456.635 2.402 30 10 JEEE C#CCSCCn1c(N2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1589126206 XNXYQARAQZLPIK-BZRIBIQUSA-N 464.632 2.458 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1cccc(C(N)=O)c1 1589482762 KZYANZPTBCHIDA-UXHICEINSA-N 452.559 2.231 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2cccc(F)c2)CC1 1594241190 IRWCTVSINJNWLP-FQEVSTJZSA-N 463.579 2.395 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1595497065 OXAOPAJFUSVDRZ-MRXNPFEDSA-N 488.346 2.279 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(COc3ccccc3F)n2CC2(C(N)=O)CCOCC2)C1 1595755513 XREXXJUWDUNVAF-KRWDZBQOSA-N 459.522 2.060 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@@H](C)S[C@H](C)C1 1595799342 YZMMTVVHLPUCKS-QZTJIDSGSA-N 491.687 2.383 30 10 JEEE CC(=O)N1CC[C@H](CN(C)c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)c2ccco2)C1 1596005449 CTHMIESSKRZRGP-HXUWFJFHSA-N 491.552 2.056 30 10 JEEE C[C@H](C#N)CN(C)c1nnc(-c2cccc(Cl)c2)n1CCNS(=O)(=O)Cc1ccon1 1596789224 GTXVYBONYDYCKP-CQSZACIVSA-N 463.951 2.302 30 10 JEEE COCCn1c(O)c(C(=O)CN2C(=O)/C(=C\c3ccc(OC)cc3)SC2=S)c(C)c(C#N)c1=O 1614800307 IPXHGGLEZSUBOW-VCHYOVAHSA-N 499.570 2.473 30 10 JEEE COc1cccc(O[C@H](C)Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@H](C#N)C2)c1 1619374284 FSOIKTBRQUUDGK-VQIMIIECSA-N 463.498 2.130 30 10 JEEE CS(=O)(=O)CCCn1c([C@H]2CCOC2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1620162722 GFLCAPDGHTXARP-KRWDZBQOSA-N 479.006 2.068 30 10 JEEE C=CCn1c(SCC(=O)N2C[C@@]3(C)C(=O)NC(=O)[C@]3(C)C2)nnc1-c1ccc(Cl)cc1 1635368457 OLAXGALHNLTMRW-SFTDATJTSA-N 459.959 2.388 30 10 JEEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC(n3cnc4ccccc4c3=O)CC2)c1 1672234483 PGMHNDOUQMXGIA-UHFFFAOYSA-N 452.536 2.338 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2nc(C)cs2)c1 1689871882 IASASEDWSNPIAA-QGZVFWFLSA-N 484.607 2.050 30 10 JEEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1689915147 RCRPOTZWPFRKQI-OAHLLOKOSA-N 474.407 2.238 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H]2CCC[C@@H](O)C2)CC1 1690113191 CFQSGCJGOCTGMY-FUHWJXTLSA-N 461.408 2.352 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H](C)N2CCC(C)CC2)CC1 1690113216 CWFPEZQTFMNUNH-RDGATRHJSA-N 458.651 2.194 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2C[C@H](C)O[C@H](C)C2)CC1 1690138262 XEGPIRNVKNGWKA-LMMUWCHVSA-N 487.645 2.488 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CCCN2C[C@@H](C)O[C@H](C)C2)CC1 1690139526 QJHJTTBXEOODPE-WOJBJXKFSA-N 468.602 2.312 30 10 JEEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1690156128 RSRNFCUSZHWTAB-UHFFFAOYSA-N 484.626 2.231 30 10 JEEE C#CCSCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1690157380 FICFEEPCJJNEEF-YJBOKZPZSA-N 463.991 2.389 30 10 JEEE C=C(C)CN(CC)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(OCC(=O)N(C)C)c1 1690254577 DCYRGXCEMSWCBT-UHFFFAOYSA-N 454.575 2.432 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 1690310099 UBMJSHNWIFWYIC-MOPGFXCFSA-N 467.574 2.380 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1690660292 DCXMRKQXYXHFGQ-OALUTQOASA-N 472.565 2.018 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](c2ccccc2)C[C@H]1C 1690723992 FWNCYVVCGKHXLE-MISYRCLQSA-N 478.640 2.163 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1CCOc1ncccc1F 1692764448 IDPXLALZLMVQET-OAHLLOKOSA-N 473.534 2.009 30 10 JEEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCC(=O)N2)n1CCn1cc(Br)cn1 1696676043 GOZPUQQYSUMPQD-QGZVFWFLSA-N 469.347 2.396 30 10 JEEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CCc1cc(C)cc(C)c1)[C@@H]1CCS(=O)(=O)C1 1705561507 QRIOYJWCKJJDAI-RCZVLFRGSA-N 486.638 2.416 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1nc(C)cs1)[C@H]1CCS(=O)(=O)C1 1705562191 YNTSHJYQPUTVQL-KRWDZBQOSA-N 472.552 2.293 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1cccnc1OCC(F)F)[C@@H]1CCS(=O)(=O)C1 1705566899 RSVQJHFOVIMYOS-MSOLQXFVSA-N 495.552 2.234 30 10 JEEE C#CCN(c1nnc(CCOc2ccccc2)n1C[C@@H]1CCSC1)[C@@H]1CCS(=O)(=O)C1 1705568445 NQDMOCWHYHPTBA-RBUKOAKNSA-N 460.625 2.279 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC(C)(C)CN2CCCC2)CC1 1705633933 CEVCWTZJKJHZFT-UHFFFAOYSA-N 484.670 2.226 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2CCCN2C[C@H](C)O[C@@H](C)C2)CC1 1705645775 DSGXGTTYSXOLOS-SFTDATJTSA-N 464.614 2.410 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCOCC1 1705696800 QRIHXYDPLGXUMO-AZUAARDMSA-N 461.588 2.013 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)CCCC(=O)NC 1705700825 YWWJFPGFZNFGRF-YLJYHZDGSA-N 489.646 2.182 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1705708363 BNJSDFAYHIQKIJ-VCOUNFBDSA-N 471.583 2.333 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](O)(c2ccc(F)cc2)C1 1705736781 CHRSJKLJJHGUAU-JTSKRJEESA-N 464.563 2.010 30 10 JEEE C=CCC(C)(C)Cn1c(N2CCN(S(C)(=O)=O)[C@@H](C)C2)nnc1[C@@]1(OCC)CCOC1 1705802294 HCSKLFVOVNIKLY-LAUBAEHRSA-N 455.625 2.003 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCN(CC(C)C)C(=O)C1 1705898683 UCLSFZSLEVRLRL-UHFFFAOYSA-N 493.381 2.454 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(OCCN2CCCC2)cc1 1706748131 GAWYKUACBKAXIH-RXVVDRJESA-N 451.575 2.490 30 10 JEEE C[C@@H](CN1CCOCC1)Cn1c(-c2cccc(Br)c2)nnc1N1CCO[C@H](C#N)C1 1706821188 HPLICKHXQSTRCQ-QFBILLFUSA-N 475.391 2.405 30 10 JEEE Cc1cc(CN2CCN(c3nnc(-c4ccc(C#N)cc4)n3CC(=O)NCC(F)(F)F)CC2)no1 1707299705 GIEAVWBPXCPLFA-UHFFFAOYSA-N 488.474 2.114 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)NC1CCCCC1 1722296081 NNOJKVWLAVBNGP-IEBWSBKVSA-N 474.606 2.493 30 10 JEEE C#CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC2(CC1)COC(=O)N2 1722317866 XFCUNDGCTFJOSZ-SFHVURJKSA-N 488.589 2.469 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1ccccc1)C[C@H]1CCCO1 1722333890 ZULQZCYYAGESPI-YADHBBJMSA-N 487.626 2.210 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1Cc1cccnc1OC)[C@@H]1CCS(=O)(=O)C1 1722362622 NVPTXQSXZPVCQI-GOSISDBHSA-N 497.577 2.041 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@H]1CCCS(=O)(=O)C1 1722388943 BXFKGSJGDVPAFZ-GOSISDBHSA-N 486.594 2.259 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1c(F)cccc1OC(F)F 1722419162 QCZLVIBUBKXUKA-UHFFFAOYSA-N 451.449 2.389 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1Cc1ccc(C(=O)N2CCCCC2)cc1 1722424888 CYROFWCVLDSYCQ-UHFFFAOYSA-N 461.570 2.439 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Br)c3)n2CC(=O)NCCC)CC1 1722444142 UUJBNGDLYIQLGK-UHFFFAOYSA-N 487.402 2.200 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2Cc2nnc(C)s2)CC1 1722449383 QROBFYYTLODFLD-UHFFFAOYSA-N 453.547 2.182 30 10 JEEE C#CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1722453608 ZHVSLPSSPMTKNR-QFIPXVFZSA-N 473.002 2.087 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCN(C(=O)c2ccccn2)CC1 1722492775 URVBZDAUWGEZSV-SJBKTWHCSA-N 484.601 2.341 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccc2OC)nnc1N1CCN(CC(=O)N(C)C)CC1 1722497302 UGSBTWSFWBTPKK-AUSIDOKSSA-N 468.602 2.145 30 10 JEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 1722535288 DMDDUZROQMBJJC-UHFFFAOYSA-N 462.595 2.487 30 10 JEEE C=CCCOCCn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1722624287 ZEMSRZJHNHYTLS-UHFFFAOYSA-N 470.574 2.121 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCOc2ccccc2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1722730031 GEQQUGAHZREXQG-ROKPMTFOSA-N 490.626 2.273 30 10 JEEE Cc1cscc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(C#N)C1 1725141289 BEKODRURVGSGTJ-YLJYHZDGSA-N 464.617 2.159 30 10 JEEE C[C@H]1CCCN(CCn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N2CC[C@](F)(C#N)C2)C1 1726577633 GPXWNKXZTKGRLS-MBSDFSHPSA-N 489.621 2.369 30 10 JEEE COc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1730306413 CQROUPKFTNITMO-UHFFFAOYSA-N 460.542 2.066 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@](C)(O)c1ccco1 1740538956 LUGUWRXRSATVMF-KSFYIVLOSA-N 457.556 2.154 30 10 JEEE C#CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1740581761 FJHVALFHLKBWNI-HXUWFJFHSA-N 466.542 2.142 30 10 JEEE C#CCN(CC#C)c1nnc(COc2cccc(C)c2)n1C[C@]1(N2CCOCC2)CCSC1 1740642300 URKHVFHUSCZZHQ-RUZDIDTESA-N 465.623 2.446 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1(CS(C)(=O)=O)CC1 1740687341 ADRVDAUKIXHAHK-QZTJIDSGSA-N 452.621 2.108 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@]2(C)COCCO2)CC1 1740703039 DPJSOGBAWNTVQN-DEOSSOPVSA-N 489.523 2.318 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](Cc2ccccc2)OC)CC1 1740708575 UQNLMFRILOXOOI-XMMPIXPASA-N 489.624 2.363 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(C(=O)c2ccco2)CC1 1740963463 LNSHENNZWBFKOF-UHFFFAOYSA-N 478.553 2.332 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)NC(CC)CC)nnc2N2CCN3C(=O)OC[C@@H]3C2)cc1 1740966028 OETPQDWTWDAICK-IBGZPJMESA-N 468.558 2.450 30 10 JEEE C=CCOc1ccccc1Cn1c(N2CC[C@](C)(C(N)=O)C2)nnc1[C@]1(OCC)CCOC1 1740971689 SWHYGLHWSUSZDK-ZEQRLZLVSA-N 455.559 2.245 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1CC=C(C(F)(F)F)CC1 1740985719 KTOCCXKQIZBRLU-UHFFFAOYSA-N 463.526 2.496 30 10 JEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC(CC(F)(F)F)CC1 1740994413 NSFIUHZKLJZMHX-UHFFFAOYSA-N 463.526 2.170 30 10 JEEE CNC(=O)CCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[C@](F)(C#N)C1 1748270488 DSXPENLWRLIXFY-SFHVURJKSA-N 451.300 2.294 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1([S@](C)=O)CCC1 1748665365 PWHFLOCAOJQYCM-KNTRGWTASA-N 452.584 2.434 30 10 JEEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1C[C@H](C)N(C)C(=O)OC(C)(C)C 1748842222 HQOIGCWAOIJBQB-INIZCTEOSA-N 454.531 2.334 30 10 JEEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(N2CCC(CO)CC2)cc1 1748907341 SFESKWYUIGQYCB-UHFFFAOYSA-N 450.587 2.231 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CCN2CCCC[C@H]2CC)CC1 1749017060 USUFVRHKOJNCQU-HSZRJFAPSA-N 463.630 2.494 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[S@](=O)C(C)(C)C)CC1 1749018613 AZWQWXYFZIBXGW-DHUJRADRSA-N 496.637 2.242 30 10 JEEE C#CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(C(C)=O)C[C@H]1C 1749019890 FAITZGOLHUUPLW-MRXNPFEDSA-N 475.018 2.285 30 10 JEEE COCc1cccc(Cn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@@H](C#N)C2)c1 1749434743 DMJYVCVSEBPCQK-SFHVURJKSA-N 452.540 2.193 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccnc(C(F)(F)F)c2)C1 1749711725 BLSHAPRQRZHPJF-JKSUJKDBSA-N 471.505 2.424 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(COc3ccccc3F)n2C[C@H]2CCS(=O)(=O)C2)C1 1749718996 LFYSBHHECNXDMY-SJORKVTESA-N 450.536 2.212 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN([C@@H](C)c2nccs2)CC1 1749729401 IGISDGLGCUYQDK-KRWDZBQOSA-N 473.628 2.281 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1749740670 XNVFIXAGRSHAQL-ZIFCJYIRSA-N 464.563 2.458 30 10 JEEE C=CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1749761243 YUPNXAJYBSLGQS-OAQYLSRUSA-N 495.609 2.415 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1([S@@](C)=O)CCC1 1751092962 GUYQCABHJLCWMM-BBFFTDKLSA-N 453.572 2.232 30 10 JEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1CCC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1760186282 LSKMGNOKUMNQFN-IBGZPJMESA-N 478.018 2.064 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H](C1CCCCC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1760190678 UBMJFGDZAHEQRA-PKTZIBPZSA-N 484.670 2.401 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC[C@H]1CCO[C@@H](C)C1 1760246465 YNSOCKIOFKPQBR-OALUTQOASA-N 450.547 2.212 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1760248739 DETPOODDJJQAHH-VQTJNVASSA-N 495.502 2.140 30 10 JEEE C#CCSCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1760275414 WZQKJRXWUFKKJT-IRXDYDNUSA-N 498.588 2.456 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(CCOC)CC1 1760317222 CINZLCVGPUUMET-IRLDBZIGSA-N 489.642 2.098 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)N1CCc2ccccc21 1760338125 YPDJZLRIIGONQG-KNQAVFIVSA-N 488.658 2.465 30 10 JEEE C=CCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2nccn3cnnc23)[C@H](C)C1 1760407938 VEGXCDCVGJIOIP-QGZVFWFLSA-N 466.594 2.171 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 1760556888 SSPZNHPUTLWOLW-IBGZPJMESA-N 490.630 2.216 30 10 JEEE CC[C@H]1CCCCN1CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1765097834 HMEAPOIWLGTSPR-SFTDATJTSA-N 451.575 2.032 30 10 JEEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@](C)(OC)C2CC2)C1 1767252214 GSUBPYBVMMAXIS-SIKLNZKXSA-N 458.588 2.150 30 10 JEEE CN(CCN1CCOC(C)(C)C1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@](C)(O)C1CC1 1767383213 GLXPWERPGMVCTI-RUZDIDTESA-N 468.602 2.437 30 10 JEEE C=CCOc1cn(CCc2ccc(OC)c(OC)c2)c(CN2CCC(C(N)=O)CC2)cc1=O 1870384228 XMIBDZPEOZAAOR-UHFFFAOYSA-N 455.555 2.370 30 10 JEEE C=CCn1cc(OCC(=O)NCCc2ccc(OC)cc2)c(=O)cc1CN1C[C@H](C)O[C@@H](C)C1 1870643685 XDDJPOXWWNCGQX-PMACEKPBSA-N 469.582 2.390 30 10 JEEE CC(=O)NCc1nnc(SCC(=O)Nc2ccccc2F)n1/N=C/c1ccccc1C(=O)O 1874431501 UIRQHUCSKGQKIK-YSURURNPSA-N 470.486 2.365 30 10 JEEE COc1cc(/C=N/n2c(CNC(C)=O)nnc2SCC(N)=O)ccc1OCCc1ccccc1 1874432471 HSHLSDYEEKLAPC-LGJNPRDNSA-N 482.566 2.004 30 10 JEEE CC(C)N1CCN(CC#CCOC2CCN(S(=O)(=O)c3cnn(-c4ccccc4)c3)CC2)CC1 1889873200 SGAANXHFEDCDRG-UHFFFAOYSA-N 485.654 2.071 30 10 JEEE O=C(NCC#CCN1CCOCC1)c1ccc(CNS(=O)(=O)c2ccc(F)c(Cl)c2)cc1 1891288233 DJXULYHTGSWALO-UHFFFAOYSA-N 479.961 2.023 30 10 JEEE CN1C[C@H](C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)N(C(=O)OC(C)(C)C)CC1=O 2180980485 JDGCJYYSPPRATF-QGZVFWFLSA-N 459.352 2.002 30 10 JEEE CC(C)(C)OC(=O)N[C@H](C(=O)NCCc1cccc(B2OC(C)(C)C(C)(C)O2)c1)C(C)(C)O 2188010621 QCWIRTIVOFEKEB-GOSISDBHSA-N 462.396 2.309 30 10 JEEE CCOC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCN1c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2241048937 ILHYKDVJVBWYGT-QGZVFWFLSA-N 461.368 2.370 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1[C@H]2C[C@@H](CN(c3ncccc3B3OC(C)(C)C(C)(C)O3)C2)[C@H]1CO 2241123892 NGBPMPYBAPATMI-IMBTUZDBSA-N 459.396 2.339 30 10 JEEE CC1(C)OB(c2cc(C(=O)N[C@@H]3COCCN(C(=O)OCc4ccccc4)C3)co2)OC1(C)C 2255545768 VIIFJCGEAKGGCX-IBGZPJMESA-N 470.331 2.346 30 10 JEEE CC(C)(C)OC(=O)NC/C=C\CNS(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2256451137 IAQLRPSNGRWRPO-KHPPLWFESA-N 452.382 2.345 30 10 JEEE CC1(C)OB(c2cnc(C(=O)N3CCC[C@H](NC(=O)OCc4ccccc4)C3)nc2)OC1(C)C 2264008048 BYPGRIAXFQZGHT-IBGZPJMESA-N 466.347 2.307 30 10 JEEE CC(C)(C)OC(=O)N1CCS(=O)(=NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)CC1 2267593218 IYEMBJADPFUGMV-UHFFFAOYSA-N 465.381 2.240 30 10 JEEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)[C@@H](C#N)C1 2267711631 NTPWVBTZLHMSEP-AWEZNQCLSA-N 483.421 2.181 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](C2CC2)[C@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2268679398 FHCNPWBJBIGILH-KGLIPLIRSA-N 464.397 2.233 30 10 JEEE CC1(C)OB(c2cnc(C(=O)N[C@@H](COCc3ccccc3)C(=O)O)c(Cl)c2)OC1(C)C 2269067938 YGKTWZDFYOQWQO-KRWDZBQOSA-N 460.723 2.434 30 10 JEEE Cn1ncc(C(=O)N[C@@H]2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)c1B1OC(C)(C)C(C)(C)O1 2281826892 OBYTYGZOUZOGKX-DJIMGWMZSA-N 460.384 2.095 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 2282003394 BHNHMIGSVMFGDV-CVEARBPZSA-N 462.400 2.451 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2C[C@H]3C[C@H]2CN3C(=O)OC(C)(C)C)n1 2282007003 ZWKSMKTYCIDVEG-ZMSDIMECSA-N 460.384 2.330 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@H]3[C@H](CCN3C(=O)OC(C)(C)C)C2)n1 2282033995 BKIMSDFXVODFKJ-WBVHZDCISA-N 460.384 2.191 30 10 JEEE C[C@@H]1C[C@@H](NC(=O)C(F)(F)F)CCN1C(=O)c1nn(C)c(Cl)c1B1OC(C)(C)C(C)(C)O1 2282040534 KKUGZHSULZTJJH-MNOVXSKESA-N 478.708 2.044 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)N1C[C@@H](O)C[C@H](NC(=O)OC(C)(C)C)C1 2282130843 PRGKYANLVBBQAA-ROUUACIJSA-N 460.380 2.394 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@]1(C)CN(C(=O)OC(C)(C)C)CCO1 2282688759 YUKUSRDUDBMZJG-HSZRJFAPSA-N 463.384 2.080 30 10 JEEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)C(=O)[C@H]1C[C@H](O)CN1C(=O)OC(C)(C)C 2283949347 XZYCITBAYCVANZ-RBUKOAKNSA-N 460.380 2.315 30 10 JEEE CCN(C(=O)OC(C)(C)C)[C@H]1COC[C@@H]1C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2283961969 GOEKLARJZXVOCT-HOTGVXAUSA-N 481.424 2.331 30 10 JEEE C[C@H](NC(=O)C1(CNC(=O)OC(C)(C)C)CC(O)C1)c1nscc1B1OC(C)(C)C(C)(C)O1 2284068256 BEHYKXPVVJFEBB-QSLFRCLVSA-N 481.424 2.285 30 10 JEEE CC(C)(C)OC(=O)N[C@@]1(C)CN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CC1(F)F 2336775987 KECWKSBAHQVRRY-IBGZPJMESA-N 456.299 2.083 30 10 JEEE N#Cc1cnn(-c2ccc3ccccc3n2)c1NC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 12239039 CTJINSCWTKBVGG-UHFFFAOYSA-N 467.401 2.435 30 10 JEEE C=CCNC(=O)CN1CCN(C(=O)c2cccc(S(=O)(=O)N(C)c3cccc(Cl)c3)c2)CC1 27165542 DNTKYOWMWLGKJG-UHFFFAOYSA-N 491.013 2.225 30 10 JEEE COCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccc2c(c1)OCCO2 170325460 KECKYBPVAPBYGW-OAQYLSRUSA-N 453.447 2.454 30 10 JEEE C=CCn1c(SCC(=O)N2CCN(CC(=O)NC(C)C)CC2)nnc1-c1ccc(F)cc1 253572657 QLHWPYBAROCJGQ-UHFFFAOYSA-N 460.579 2.031 30 10 JEEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1Cc1ccccc1 588152992 KUFJOAKJWABXHQ-QGZVFWFLSA-N 480.611 2.480 30 10 JEEE COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1-c1ccc(OC(F)F)cc1 590988064 FSCPZPMRDZYEAU-OAHLLOKOSA-N 485.512 2.155 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)Nc3c(C#N)cnn3-c3ccccc3)cc2C1=O 726987487 CZLJZVDIHYGOPE-UHFFFAOYSA-N 455.430 2.321 30 10 JEEE C#CCN(c1nnc(C2CC2)n1CCCc1cc(OC)ccc1OC)[C@@H]1CCS(=O)(=O)C1 1286389297 HUJYZBHDTSZCEM-LJQANCHMSA-N 458.584 2.432 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CC(C)(C)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1286393491 LCJUFNQSKVLAIN-MRXNPFEDSA-N 455.506 2.479 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1nccnc1C)[C@H]1CCS(=O)(=O)C1 1286399034 XCPCSQXRMRZKQP-QKNQBKEWSA-N 486.642 2.165 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2ccccc2Cl)CC1 1286494034 RAGAOYSNIUPCFP-LJQANCHMSA-N 490.029 2.042 30 10 JEEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1286535467 AVPYCETVVDYZLQ-UHFFFAOYSA-N 487.362 2.129 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(CC(=O)NC)CC1 1286547307 OCOSWEDZZHPLRQ-GHTZIAJQSA-N 467.574 2.259 30 10 JEEE C=C(Cn1c([C@@H](C)OCCOC)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1)c1ccccc1 1286615139 GWXXWEQUMUTSMJ-WIYYLYMNSA-N 482.585 2.482 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1286780474 VQHCFOMBOAVGFI-HNNXBMFYSA-N 470.965 2.475 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC2(C(N)=O)CCOCC2)C1 1286806513 VTHMUZSSUSYTPX-SFHVURJKSA-N 471.558 2.026 30 10 JEEE CC(=O)N1CCC[C@@H](Cn2c(C3CCN(c4ncccn4)CC3)nnc2N(C)[C@H](C)CC#N)C1 1286859641 HUZNCZFRPLUSTN-UYAOXDASSA-N 465.606 2.449 30 10 JEEE CC(=O)Nc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2ccc(C#N)cc2)cn1 1286894410 DLVVRRGQRHKVQX-HXUWFJFHSA-N 479.566 2.090 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCCOC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1300484508 SUXSLRBYZGZLKQ-OAQYLSRUSA-N 483.594 2.029 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H]1CC(F)(F)CO1)[C@@H]1CCS(=O)(=O)C1 1300488570 FITMLYUCJLGHBL-WBVHZDCISA-N 496.536 2.013 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCCc1c[nH]nc1C)[C@H]1CCS(=O)(=O)C1 1300497793 DSNIBCLUMDNLCI-NRFANRHFSA-N 470.574 2.299 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@H](C)N(C)Cc2ccccc2)CC1 1300724867 CURCGFRUASHQIR-REWPJTCUSA-N 464.614 2.268 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCCc2cccc(C)n2)CC1 1300733146 SLNLOHJWXWOBAA-GMAHTHKFSA-N 480.613 2.304 30 10 JEEE C#CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@@H](OCCOC)C1 1300755971 BNAPUBNBPHBISS-MRXNPFEDSA-N 454.556 2.202 30 10 JEEE C=CCN(c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(C)CN(C)C1=O)C1CC1 1301327040 LJDNTHDKBGHRNC-UZUQRXQVSA-N 460.579 2.220 30 10 JEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC(C(=O)Nc2ccc(C)cn2)CC1 1301508797 VRDCCDWBANKLJI-UHFFFAOYSA-N 494.625 2.495 30 10 JEEE C[C@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCCC1(C)C 1304909062 CYGFGAFENMDFSR-BXKMTCNYSA-N 452.559 2.337 30 10 JEEE CS(=O)(=O)N1CC[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N(CCC#N)CC2CC2)C1 1316351182 AMGXOYCUGAFQPF-IBGZPJMESA-N 453.572 2.228 30 10 JEEE CS(=O)(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC[C@H]2CCCCO2)CC1 1316354054 DQAAXGNLOYIKNL-HXUWFJFHSA-N 458.588 2.248 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2c(F)cccc2F)n1C[C@@H](C)CN1CCN(CC)CC1 1358979896 AVBXTKBPBRTAIW-FQEVSTJZSA-N 454.569 2.494 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H]2CSCCS2)CC1 1359040405 SZECTRPGHQYSGF-SFHVURJKSA-N 478.688 2.011 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1359101079 KBMXAYAMAVXIME-OFNKIYASSA-N 498.603 2.162 30 10 JEEE C=C(Cl)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1359144240 CFDCDIXLXLZWKE-HNNXBMFYSA-N 469.995 2.480 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1359295233 VHGHKPQWPXWCQN-UHFFFAOYSA-N 476.629 2.114 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)OCC)CC1 1359305008 QPFILALORAPKLT-UHFFFAOYSA-N 456.547 2.055 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1359329230 CGFQYALLPZSCJW-CVEARBPZSA-N 470.910 2.453 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1359333530 APEREGQPKSIINE-SFHVURJKSA-N 490.630 2.310 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1359334129 UKBZIWDQGLUFQR-CVEARBPZSA-N 452.650 2.154 30 10 JEEE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3ccccc3Cl)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1359357458 GXYJZXUUSHNNMW-JHGXHUTESA-N 497.987 2.430 30 10 JEEE C#CCCN1CCN(CCC(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2Cl)CC1 1473353307 YEKHUTRZDNTDLY-UHFFFAOYSA-N 453.008 2.094 30 10 JEEE C=CCC[C@@H](NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1Br)C(=O)OCC 1475305613 NLDBWVJROCUDLL-CYBMUJFWSA-N 454.364 2.029 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1CCC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1507629242 LPPZJAJNBJOWSY-IBGZPJMESA-N 458.584 2.397 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCCc1nnc(C)s1)[C@H]1CCS(=O)(=O)C1 1507634916 RFIZKTTZHFAPLJ-IBGZPJMESA-N 488.614 2.427 30 10 JEEE C#CCN(c1nnc(COc2ccccc2CC)n1C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 1507638488 FXIYZMZRJXTZHJ-PMACEKPBSA-N 458.584 2.225 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@](O)(c2ccccc2)C(F)(F)F)CC1 1507731449 IXFVMHRLZYWFJH-XMSQKQJNSA-N 463.504 2.377 30 10 JEEE C#CCSCCn1c(N2CCO[C@@H](CNC(C)=O)C2)nnc1C1(c2ccccc2)CCC1 1507757734 BMWWEKGWCRCHLJ-NRFANRHFSA-N 453.612 2.456 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 1507830496 BUCTWHHQHNMBPK-PKOBYXMFSA-N 480.660 2.132 30 10 JEEE CC(C)(C)[S@](=O)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@](F)(C#N)C1 1508697593 DAQDWPGXQJUNCI-MQFAKOPTSA-N 481.623 2.227 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCC(=O)N2)n1CCCN1CCN(c2ccccc2)CC1 1509950243 CROYKMYUKRVTJE-PZJWPPBQSA-N 450.591 2.180 30 10 JEEE CCN(CC)CCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1515587934 IDORTJWUBYQERY-UHFFFAOYSA-N 476.633 2.465 30 10 JEEE CCn1nc(-c2nnc(N(C)[C@@H](C)CC#N)n2CCNC(=O)C(C)C)c2ccccc2c1=O 1515946109 DSQWHZIUAJMASZ-INIZCTEOSA-N 450.547 2.185 30 10 JEEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCN(CC(F)(F)F)C2)CC1 1519206078 HSGDIMAPYNIXQK-LJQANCHMSA-N 477.535 2.469 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1-n1nc(C)cc1C 1539014641 MQFUENBXTAUVQL-YLJYHZDGSA-N 452.584 2.489 30 10 JEEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccccc1CN1CCC[C@@H]1CO 1539153478 DZAOZIFHKLZGIH-RDGATRHJSA-N 453.587 2.005 30 10 JEEE C#CCN(c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1539212680 RBVYATSRVYMOGE-AEFFLSMTSA-N 489.667 2.283 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1CCc1cccc(C(=O)NC)c1)[C@@H]1CCS(=O)(=O)C1 1539221003 XSXKCDRQDMHHHX-HXUWFJFHSA-N 471.627 2.096 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@](C)(O)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1539225803 PWQQVUZQPZXKLN-QPPBQGQZSA-N 471.627 2.222 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@]1(O)CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1539226427 XQXPGPKOSZIUOZ-CJFMBICVSA-N 486.638 2.445 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1C[C@H](F)CN1Cc1cccs1 1539318335 PJECYUUMWYXVOT-CMKODMSKSA-N 454.575 2.366 30 10 JEEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(CN2CCC(O)CC2)cc1 1539345356 SZKAPQAQKJITOX-AREMUKBSSA-N 467.614 2.395 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC[S@@](=O)C(C)(C)C 1539416620 QMHMBJUPZGZJJS-USXNREEHSA-N 497.662 2.220 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC(C)(C)C(=O)NC)CC1 1539469692 UPFPYQAHKOGDFB-QGZVFWFLSA-N 484.576 2.295 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)O[C@H](COC)C1 1539615350 HQYZVSUZPSWWQI-DMUMMCEESA-N 456.547 2.147 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccn2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1539627077 HWRRKNUNBJPCJQ-DYXWJJEUSA-N 474.631 2.429 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)N1CCCCC1 1540170761 PZXJCXSBXUQEHA-LJQANCHMSA-N 466.652 2.054 30 10 JEEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCN(c2cccc(OCC)n2)CC1 1540873980 QTIQSJLMHOAFPH-UHFFFAOYSA-N 453.591 2.433 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CCCN1CCCCC1 1541676628 AEKCTZDAIHCXLL-UHFFFAOYSA-N 478.645 2.486 30 10 JEEE CS[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1555832958 HKXSDFAGWAAKSG-YLJYHZDGSA-N 490.655 2.199 30 10 JEEE C#CCOc1ccccc1NC(=O)N1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 1562639782 PCAGOCSLNPNZSA-UHFFFAOYSA-N 458.496 2.454 30 10 JEEE Cc1onc(CC(=O)N2CCN(CC(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)c1C#N 1587266824 CLUGOSJUCALYMW-UHFFFAOYSA-N 451.405 2.079 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1CCc1ccc(S(N)(=O)=O)cc1 1587574179 DCTBFRKLMZRPKU-AWEZNQCLSA-N 491.415 2.394 30 10 JEEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H](N2CCCC2=O)C1 1587719296 YSRUCJIPKYCIAB-IBGZPJMESA-N 455.584 2.353 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1C[C@H](C)N1CCN(c2ccccc2)CC1 1588174427 WKWMXMDOKHWFRG-QFIPXVFZSA-N 461.614 2.090 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1588604163 CPUPCMJPWNDEAT-RBUKOAKNSA-N 493.033 2.284 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccn3C)n2C[C@H]2CCOC[C@@H]2C)n1 1588722992 IUHQCBSFTCIASJ-VQTJNVASSA-N 451.575 2.439 30 10 JEEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2CC2CCN(C(C)=O)CC2)CC1 1588864546 FSRGMEPXBJYMSI-UHFFFAOYSA-N 464.614 2.488 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H]2CCCCN2C2CC2)CC1 1588884578 FTSVRVZCUMQWEG-QFIPXVFZSA-N 483.661 2.179 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2Cc2ccc(N(C)C)nc2)CC1 1588899022 KQSZNIDWWZTXSG-UHFFFAOYSA-N 473.581 2.429 30 10 JEEE C#CCSCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1589048201 XUCNVWBSXNYEAE-LJQANCHMSA-N 499.666 2.263 30 10 JEEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1594783555 DKAAKEPNOSAEHQ-HDICACEKSA-N 462.595 2.312 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)OC 1595161599 FPGXZGBWZJWJFI-KRWDZBQOSA-N 469.633 2.290 30 10 JEEE C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 1595330487 USKFYEQKJCJQCC-HNNXBMFYSA-N 487.424 2.099 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN2CCCC[C@H]2C1 1595516237 BYXFCSFTRZSNOY-IBGZPJMESA-N 454.575 2.329 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1595777023 HHHMHPVLLVDKFO-UZLBHIALSA-N 464.588 2.424 30 10 JEEE CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C2CC2)N(C)C)CC1 1613441682 GXPYPMVPVOMZOF-CVDCTZTESA-N 478.645 2.194 30 10 JEEE COc1cc(OC)cc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC2(S(C)(=O)=O)CCCC2)c1 1619135399 HHUQCAQCMQOMOP-LJQANCHMSA-N 475.571 2.048 30 10 JEEE CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)CCc1c(C)nc3c(C#N)cnn3c1C)CC2 1629099779 GRUOBKZGGXJRGU-UHFFFAOYSA-N 452.540 2.038 30 10 JEEE C#CCn1cc(CNC(=O)c2ccc(NS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)cn1 1640012925 RAGMJUSXFUARBJ-UHFFFAOYSA-N 453.480 2.464 30 10 JEEE Cc1nn(C)c(N2CCN(CCNC(=O)NC(C)(C)COCc3ccccc3)CC2)c1C#N 1658292018 FZXHVSXERIDTCJ-UHFFFAOYSA-N 453.591 2.017 30 10 JEEE N#Cc1cc(Br)cc(S(=O)(=O)N2CCC[C@@H](CNC(=O)C(F)(F)F)C2)c1 1662271082 BRLGAZYLVBASKZ-JTQLQIEISA-N 454.268 2.400 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCN1CCOCC1(C)C 1689832093 WORNULCKVRKMBH-QGZVFWFLSA-N 473.647 2.115 30 10 JEEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1689931710 GENNIQDYQRCOBB-CJFMBICVSA-N 488.633 2.301 30 10 JEEE C#CCN(c1nnc([C@@H](CC)c2ccccc2)n1CCCN1CCC(O)CC1)[C@H]1CCS(=O)(=O)C1 1689979660 FRRSPTCSVPQYPE-UPVQGACJSA-N 499.681 2.294 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1690227722 FXYHYNCKOFHNJC-JKSUJKDBSA-N 476.441 2.189 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1690251488 VUDUUBGUNSHIJZ-WDYCEAGBSA-N 451.618 2.238 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)O[C@H](c2ccccc2)C1 1690288302 QSLWRVUJQJIHNF-IHPCNDPISA-N 461.588 2.154 30 10 JEEE C=CCSCCn1c(-c2ccc(C)o2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1690736919 SKKRPVZGEATZBM-UHFFFAOYSA-N 478.600 2.406 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Sc1ccccc1 1691003058 BLVIHNQZODZJMN-LMMKCTJWSA-N 478.644 2.388 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCc2nccn2C1 1705481946 PFVRZTNQIRIDQH-ZWKOTPCHSA-N 467.599 2.112 30 10 JEEE C#CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H](C)N1CCN(CC)CC1 1705552693 NSZVLCLMOQNQGP-FQEVSTJZSA-N 473.666 2.488 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CC2(CCOCC)CCCC2)CC1 1705644169 ZWKPAEHMRSYBNF-UHFFFAOYSA-N 484.645 2.467 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@H](C)COc2ccccc2OC)CC1 1705647660 KLUSENOSJAULQW-IBGZPJMESA-N 489.580 2.425 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCN(C)[C@H](C)CC)CC1 1705648761 YIIBFPFXSJYCSY-XXBNENTESA-N 480.613 2.487 30 10 JEEE C=C(C)COCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC(C)(OC)C1 1705736785 CKSINVZNZCQQMI-QGZVFWFLSA-N 451.568 2.404 30 10 JEEE C=CCN(CC=C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1705871806 XZHGBVUTIOHAFU-FQEVSTJZSA-N 497.415 2.444 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 1705896232 GFUNFZASMZZODM-GOSISDBHSA-N 465.558 2.470 30 10 JEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl 1705907372 KLHFNOHDBHPVCE-HNAYVOBHSA-N 452.390 2.462 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC(O)(Cc3cccc(C)c3)CC2)nnc1[C@@]1(OCC)CCOC1 1705907949 CPFDWVFYVKMOHF-AREMUKBSSA-N 483.613 2.115 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1705933233 YRZUGDRNGKQCTK-GOSISDBHSA-N 458.544 2.124 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C(=O)OC)CC1 1705935045 FFPCXKDWILCCPU-UHFFFAOYSA-N 467.979 2.012 30 10 JEEE CC(=O)N(C)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2ccn(C)n2)CC1 1705957608 DVRXTYMTLDHVFB-UHFFFAOYSA-N 462.558 2.152 30 10 JEEE CCS(=O)(=O)CCN(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1ccc(C)nc1 1710870937 AARWLWWPMLYITK-UHFFFAOYSA-N 454.556 2.351 30 10 JEEE N#CC1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCS(=O)(=O)CC2CC2)CC1 1712881747 HKXAYUGHINNTRZ-UHFFFAOYSA-N 491.017 2.426 30 10 JEEE C#CCN(c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@@](C)(O)C1CC1)[C@H]1CCS(=O)(=O)C1 1722364245 YLMDRBGRUHEFAA-YADARESESA-N 488.610 2.140 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1(S(C)(=O)=O)CCC1 1722387771 KYBOLEPINSEOTO-HDICACEKSA-N 475.615 2.089 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC(C)C 1722422914 WCKAVTIBTVQEER-FQEVSTJZSA-N 463.579 2.436 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)on2)n1Cc1ccc(C(N)=O)nc1 1722446690 ISRSMMRRXZIFFT-UHFFFAOYSA-N 457.494 2.228 30 10 JEEE C#CCSCCn1c(N2CC(C)(C)O[C@@]3(CCOC3)C2)nnc1[C@]1(OCC)CCOC1 1722464040 SXCUQVHPGHWCNS-VXKWHMMOSA-N 450.605 2.071 30 10 JEEE C=C(C)COCCn1c(Cc2ccccc2OC)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1722534830 XHMISCWSAGEAPO-QFIPXVFZSA-N 469.586 2.298 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC[C@@H](C(N)=O)C1 1722694550 YZAQWLKXDABDEO-OAHLLOKOSA-N 461.364 2.020 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1722722347 NEKRTEKLKCITOY-FXAWDEMLSA-N 479.578 2.059 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(CC)[C@@H](C)C1 1722723647 BJFZYADHAAYXDP-AWEZNQCLSA-N 471.425 2.167 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](CC)N2CCCC2)c1 1740564189 DRCAXMPSDWXVPH-RBBKRZOGSA-N 498.653 2.111 30 10 JEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(SC)CCN(C)CC1 1740602674 QREOPWGZBYUUKC-UHFFFAOYSA-N 476.672 2.092 30 10 JEEE C#CCN(c1nnc(C(C)C)n1Cc1ccc(-n2nc(C)cc2C)nc1)[C@@H]1CCS(=O)(=O)C1 1740617097 LSQAEUQHMOGOSY-HXUWFJFHSA-N 467.599 2.274 30 10 JEEE C#CCN(c1nnc(-c2ccc(Br)cc2)n1C[C@H](C)OC)[C@H]1CCS(=O)(=O)C1 1740619713 QWGNOCHVTKEURB-YOEHRIQHSA-N 467.389 2.369 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@@](C)(O)c1cccs1)[C@H]1CCS(=O)(=O)C1 1740619933 RQLKROOMQKQTOM-HRAATJIYSA-N 460.581 2.442 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1ccccc1OCC)[C@H]1CCS(=O)(=O)C1 1740624774 JWIVVSOXDYXNBW-NRFANRHFSA-N 465.579 2.338 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCCN(CC(C)C)C1 1740635423 OCXCECXHHIWVMZ-NRFANRHFSA-N 457.586 2.362 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCc2cccnc2)CC1 1740690247 QLIGGTHJIGJREN-UHFFFAOYSA-N 463.973 2.254 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCO[C@@H]2CCCC[C@@H]2C)CC1 1740703837 BUSYIZYKUJXMFV-GHTZIAJQSA-N 451.575 2.296 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2CC2(S(C)(=O)=O)CCC2)CC1 1740707460 COBRGGBMAVQGST-UHFFFAOYSA-N 499.637 2.099 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2F)n1C[C@]1(O)CCS(=O)(=O)C1 1740727809 ANZLSAAEPSVZTR-WOJBJXKFSA-N 452.939 2.279 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)OCC)CC1 1740764786 JUXVVAZRJJXKSR-HAGHYFMRSA-N 463.579 2.262 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1740823172 ZHHXXHVWRSICST-SCRDCRAPSA-N 453.943 2.091 30 10 JEEE C=CC1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CC(C)(C)C(=O)NC)CC1 1740837362 KKTLZJYJOOZNNP-UHFFFAOYSA-N 459.620 2.413 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccn(C)n1 1740916340 KJRCVHCEIYLLPR-FQEVSTJZSA-N 465.583 2.221 30 10 JEEE C=CCNC(=O)Cn1c(N2CCO[C@H](Cc3ccccc3)C2)nnc1[C@]1(OC(C)C)CCOC1 1740966203 WVEHLHATRBUPLT-BWKNWUBXSA-N 469.586 2.069 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(Cl)cc2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1740993979 LIDRYMIHXDQDQM-HTAPYJJXSA-N 497.017 2.496 30 10 JEEE C=CCSCCn1c(N2CC[C@H](C(N)=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1741004504 CGBDGKKZOAYUPJ-HRCADAONSA-N 450.609 2.280 30 10 JEEE CC(C)NC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2ccncc2)CC1 1741705593 HFFVBIFLKXEOEW-UHFFFAOYSA-N 488.596 2.013 30 10 JEEE CC(C)NS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1741710709 GCOWBBCZSRRPHU-UHFFFAOYSA-N 471.631 2.067 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1([S@@](C)=O)CCC1 1748665366 PWHFLOCAOJQYCM-MWOWJKGTSA-N 452.584 2.434 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2Cc2sc(C)nc2C)c1 1748693157 ZLICAPZZNKKYFT-GOSISDBHSA-N 463.567 2.407 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1SCCc2ccccc21 1748963149 ZFMUDZRQKCQOTK-QUCCMNQESA-N 460.625 2.297 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2CC(C)(C)c2ccc3c(c2)OCO3)CC1 1748979105 WJJMITJZQHHLLP-IBGZPJMESA-N 469.586 2.464 30 10 JEEE C#CCN1CCN(c2nnc(CSc3ccccc3OC)n2CCCc2cnn(C)n2)CC1 1748999701 BYVPWFZZKSKRSS-UHFFFAOYSA-N 466.615 2.096 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(OC)cc3)n2CC(F)(F)F)CC1 1749019121 LVGMLEUUNZIOCY-UHFFFAOYSA-N 451.449 2.394 30 10 JEEE C=C(Cn1c(-c2ccccn2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1)c1ccccc1 1749242416 ICZJTLPAKDCOCW-UHFFFAOYSA-N 459.554 2.227 30 10 JEEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1749408252 HCVKYAGCXHTTAL-FPOVZHCZSA-N 480.617 2.271 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(OC)CCOC1 1749547060 KANMZJZMXXFNMG-GCJKJVERSA-N 464.563 2.317 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)CCC1CCOCC1 1749730558 IOGDCUKRIMJPSY-UHFFFAOYSA-N 486.598 2.448 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C)[C@H](OC)C1 1749739398 BGVDCSGQWBACSO-FXAWDEMLSA-N 459.572 2.191 30 10 JEEE Cc1cnn(C[C@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCCC(=O)N(C)C)CCO2)c1 1751724435 HQBZHTKSMSYMSF-OAQYLSRUSA-N 462.558 2.096 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCN1CCN(CC)CC1 1760116938 LMZLIZCYFRTVRU-NHCUHLMSSA-N 489.665 2.072 30 10 JEEE C#CCN(c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1760185025 NTLCKOCZGKYAOU-IEBWSBKVSA-N 474.583 2.016 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1cccc(C(OC)OC)c1)[C@@H]1CCS(=O)(=O)C1 1760188931 RIXWFDGDJUXHNQ-NHCUHLMSSA-N 488.610 2.139 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1nccn1C(F)F 1760203784 PUEWZNMOULDJBS-MRXNPFEDSA-N 475.500 2.299 30 10 JEEE C#CCN(CCOC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc2c(c1)OCCCO2 1760244348 RFRXPJIVUIOVEI-XMMPIXPASA-N 456.543 2.226 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCC2(O)CCOCC2)CC1 1760257015 MYKIBBIOQDLFHC-IBGZPJMESA-N 457.550 2.244 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2CC2([S@@](C)=O)CCC2)CC1 1760270618 SRGMUONXARRECL-UUWRZZSWSA-N 489.592 2.414 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2C[C@H]2CCN(CC)C2)CC1 1760271130 NALPWXUGDPKQSX-NRFANRHFSA-N 464.614 2.207 30 10 JEEE C#CCSCCn1c(CC2CC2)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 1760283411 MBEDDLWCDVMEHE-UHFFFAOYSA-N 459.641 2.498 30 10 JEEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CCN(c2ncc(F)cn2)CC1 1760284816 RQPHOFJENWRAKF-UHFFFAOYSA-N 467.574 2.500 30 10 JEEE C=C(Br)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C)C(=O)[C@@H]1C 1760308641 MXCFYEJSVBZMBR-LSDHHAIUSA-N 499.410 2.162 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCCO2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1760335539 NYURDQXJLRBXIB-SXLOBPIMSA-N 467.636 2.361 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(NC(=O)N(C)C)cc2)C1 1760533888 OODDBDIVOWZVNO-HXUWFJFHSA-N 467.574 2.437 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2C[C@@H](F)[C@@H](c3ccccc3)C2)nnc1[C@]1(OCC)CCOC1 1760558057 DWVHNGCSPFPGEJ-VIZSFHNOSA-N 478.590 2.473 30 10 JEEE C=CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@](C)(C(=O)NC)C1 1760561286 WGVLKXISBUWANS-NRFANRHFSA-N 463.629 2.230 30 10 JEEE C[C@H](CC#N)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN1CCOCC1(C)C 1761360158 HFQNUKADPAWYMN-QGZVFWFLSA-N 464.574 2.041 30 10 JEEE CNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CN(CC(C)C)CCO2)C1 1767655668 DBUYMMJOTQURNE-FGZHOGPDSA-N 465.602 2.136 30 10 JEEE CN(C)[C@@]1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@H](CC(N)=O)C2)CCSC1 1768490807 GCXPIBAOODGIHS-NTKDMRAZSA-N 483.642 2.258 30 10 JEEE COCCN(C)CCn1c(-c2ccccn2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1771079546 FIQWSQVOIWMQJM-UHFFFAOYSA-N 460.586 2.112 30 10 JEEE C[S@](=O)Cc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@@](C)(C#N)C2)cc1 1771371686 DATRPHQJIUOCAT-CSGSPXDWSA-N 475.640 2.237 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@](C(=O)ON2C(=O)c3ccccc3C2=O)(C(=O)OC(C)(C)C)C1 1772793194 KOWHSNIRWQBIMW-QHCPKHFHSA-N 476.482 2.089 30 10 JEEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 1862755446 ZTNFLSSQQAVHSQ-SFHVURJKSA-N 454.395 2.217 30 10 JEEE CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1862762527 MGJDGJDIKGYOHG-FQEVSTJZSA-N 498.448 2.414 30 10 JEEE C=CCOc1ccccc1[C@@H]1C(C(=O)N2CCC(C(N)=O)CC2)=C(N)Oc2c1c(CC)nn2CC 1865224946 KRRQRDULGVMQDU-FQEVSTJZSA-N 479.581 2.449 30 10 JEEE C=CCOc1ccccc1[C@H]1C(C(=O)N(C)CC(=O)OCC)=C(N)Oc2c1c(C)nn2CC 1865225401 VVQVRYMGLMQLIK-HXUWFJFHSA-N 454.527 2.492 30 10 JEEE C#CCOc1cn(CCN2CCOCC2)c(CN2CCN(c3cccc(Cl)c3)CC2)cc1=O 1870560989 UPMGJKVWHDLPLE-UHFFFAOYSA-N 471.001 2.168 30 10 JEEE CC(C)(C)N1C[C@@H](c2nnc(SCC(N)=O)n2/N=C/c2cc(Br)ccc2O)CC1=O 1874274367 RBWLWGXWBUBRBZ-WHQXGRPESA-N 495.403 2.320 30 10 JEEE CCCCCCOc1ccc(/C=N/n2c(CNC(C)=O)nnc2SCC(N)=O)cc1OC 1874432719 UGXAQWZEYJYHQV-WYMPLXKRSA-N 462.576 2.342 30 10 JEEE COC(=O)Nc1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)N2CCC(C#CCN(C)C)CC2)cc1 1891873783 GHNUNNJZNDFUME-QFIPXVFZSA-N 490.626 2.212 30 10 JEEE Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCC(COc4nccnc4C#N)CC3)C2)cc1 1892003247 AZEKATPZYOCUGB-FQEVSTJZSA-N 483.594 2.375 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H]1C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2124537474 YQHXLECASIREJO-WMLDXEAASA-N 450.316 2.434 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(NS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2255751015 STHOLYYHLCEJAJ-ZUOKHONESA-N 470.422 2.335 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](O)CN1C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2255869770 FQPJZPVHRMYZPM-UONOGXRCSA-N 452.382 2.147 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1CCO[C@@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2256618233 OUPXGJFPJGAXIQ-OCCSQVGLSA-N 453.370 2.311 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(CN(C)C(=O)[C@H](CO)NC(=O)OC(C)(C)C)s1 2256623112 ATYWCEXJSXBUBE-HNNXBMFYSA-N 454.398 2.200 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H](C)CNC(=O)OC(C)(C)C 2267469225 RWQJELJLHJDYLO-AWEZNQCLSA-N 470.397 2.186 30 10 JEEE C[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2267713821 RQQXVPRVVOGMFQ-NEPJUHHUSA-N 482.355 2.267 30 10 JEEE Cc1cc(CNC(=O)[C@@H]2C[C@H](O)CN2C(=O)OC(C)(C)C)sc1B1OC(C)(C)C(C)(C)O1 2268628293 FYVWXLAULHAHMD-HOCLYGCPSA-N 466.409 2.342 30 10 JEEE CC(C)(C)OC(=O)N1CC(N2CCC[C@H]2C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C1 2271794255 GISKEYRAGCNXIR-IRLDBZIGSA-N 453.587 2.307 30 10 JEEE Cc1c(C(=O)N(C2CC2)C2CN(C(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281810105 LLQGGCHLPCTURI-UHFFFAOYSA-N 460.384 2.252 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2OCCN(Cc3ccccc3)[C@@H]2C1 2281980284 JCEUMHBKWRPRNT-RTBURBONSA-N 469.416 2.476 30 10 JEEE Cc1c(C(=O)N[C@@H]2CCOC[C@@H]2OCc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281986257 PNATVGRBWSSTOP-MOPGFXCFSA-N 455.364 2.132 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CCNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)C(F)(F)F 2282017648 MUGFOABYZHFATG-CYBMUJFWSA-N 474.289 2.351 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)Nc2nc(CCNC(=O)OC(C)(C)C)cs2)n1 2282042699 DKUVJNLFRPJJHX-UHFFFAOYSA-N 477.396 2.495 30 10 JEEE CN(C(=O)c1nn(C)c(Cl)c1B1OC(C)(C)C(C)(C)O1)[C@@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2282050440 MIRHFROHYBYXCB-YWVIFJGQSA-N 480.802 2.310 30 10 JEEE Cc1ccc(C(=O)N2C[C@@H](O)C[C@@H](NC(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2282120578 JBTKBCSIPYLKFJ-MSOLQXFVSA-N 460.380 2.394 30 10 JEEE CO[C@H]1CN(C(=O)c2cc(F)ccc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1NC(=O)OC(C)(C)C 2282141707 JVVNZKWJIZTSEW-ROUUACIJSA-N 464.343 2.489 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](CO)[C@H](NC(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)CC1 2282149571 DUOIRWMEMRYJGG-GDBMZVCRSA-N 481.424 2.180 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](NS(=O)(=O)c3cncc(B4OC(C)(C)C(C)(C)O4)c3)C[C@@H]21 2282288921 TVQIQEWMARCMAL-SQNIBIBYSA-N 479.408 2.057 30 10 JEEE CC(C)(C)OC(=O)NCCc1nc(NS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)n[nH]1 2282491740 OUIBRQSMDORCQU-UHFFFAOYSA-N 499.424 2.033 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)n1 2282551500 DNYVTWWVSUCNBY-CVEARBPZSA-N 460.384 2.333 30 10 JEEE Cc1nn(C)c(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)c1B1OC(C)(C)C(C)(C)O1 2282586235 WIHNTPNOOLPEFX-GOEBONIOSA-N 462.400 2.403 30 10 JEEE Cn1nc(C(=O)N2C[C@H]3C[C@@H](C2)[C@H](NC(=O)OC(C)(C)C)C3)cc1B1OC(C)(C)C(C)(C)O1 2282615974 UZCCGEJKBIJSDK-HRCADAONSA-N 460.384 2.095 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2CCN(C(=O)c3ncc(B4OC(C)(C)C(C)(C)O4)cn3)C[C@H]2C1 2282625130 RCNXAOSCCLAUAG-CVEARBPZSA-N 458.368 2.105 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)[C@H]2CCC[C@H]21 2282691938 PWWACVKIHRXLPX-HYVNUMGLSA-N 458.368 2.294 30 10 JEEE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1N(C)C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2283058499 FBYNKUBRXCXENM-JKSUJKDBSA-N 460.384 2.493 30 10 JEEE C[C@@H](c1nscc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)CN(C)CCNC(=O)OC(C)(C)C 2284067905 VKBZRZXXGGQZLC-HNNXBMFYSA-N 482.456 2.418 30 10 JEEE COC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)c(OC)c1 2289461496 RTOZRKXPMJJLIK-KRWDZBQOSA-N 464.368 2.150 30 10 JEEE COC[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)N(C(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)C1 2289506889 MGAJSMXQIHZYBV-HUUCEWRRSA-N 481.424 2.444 30 10 JEEE O=C(C=Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 2325630796 IEVJIZMCOZUKEG-UHFFFAOYSA-N 453.436 2.407 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@H]2CN(Cc3ccccc3)C[C@@H]2C1 2362356728 SXNFDLLJPYRYNI-VQTJNVASSA-N 450.392 2.313 30 10 JEEE COc1ccc(OC)c(NC(=O)CSc2nnc(N/N=C/c3cccc([N+](=O)[O-])c3)n2N)c1 20291948 DJEQQWDPNBPJES-UFFVCSGVSA-N 472.487 2.094 30 10 JEEE N#CCCN(CCC#N)c1ncnc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)c1[N+](=O)[O-] 40618189 BDFFZDNCMKADEK-UHFFFAOYSA-N 464.486 2.069 30 10 JEEE C[C@@H]1C[C@H]1c1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(Cc3ccccc3)c2=O)o1 610487518 OBCZUDRXJLZLLW-YLJYHZDGSA-N 475.570 2.036 30 10 JEEE C#Cc1cccc(-n2c(=C(C#N)C(=O)Nc3ccc4c(c3)OCCO4)sc(=Cc3ccoc3)c2=O)c1 727417336 ISYYTWMZBZDLBK-UHFFFAOYSA-N 495.516 2.386 30 10 JEEE COc1ncccc1CN1C(=O)[C@@H](CC(=O)Nc2cnccn2)S/C1=N/CCc1ccccn1 730722173 DMYVHJHIYVCQBO-ZGYZAJHOSA-N 477.550 2.347 30 10 JEEE CC#CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@@](O)(C(=O)O)C1 757198408 FNZPLGUOFLLCTQ-GJZUVCINSA-N 462.502 2.355 30 10 JEEE C#CCN(CC(=O)O)C(=O)[C@@]1(C)COC[C@@H]1NC(=O)OCC1c2ccccc2-c2ccccc21 757298836 ULYHGBNNKZGTNS-NVQXNPDNSA-N 462.502 2.477 30 10 JEEE CCN(C(=O)C#CCNC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H]1COC[C@H]1C(=O)O 757479389 KYDQXVIEGLTFQE-DHIUTWEWSA-N 462.502 2.477 30 10 JEEE N#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1NC(=O)C[C@H]1C(=O)O 757547371 UFJSJVUPLHRBPT-SFTDATJTSA-N 476.489 2.304 30 10 JEEE CC(=O)N1CCc2sc(S(=O)(=O)N3CCCN(Cc4ccc(C#N)cc4)CC3)cc2C1 1208113674 CLIYHTGHSASHNU-UHFFFAOYSA-N 458.609 2.421 30 10 JEEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc([C@H](F)C(F)(F)F)cc1 1286375986 BRKALALYIMXMGR-SJORKVTESA-N 489.495 2.302 30 10 JEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1cc(F)ccc1SC)[C@@H]1CCS(=O)(=O)C1 1286381118 LMTNMMQEIRGMHC-GOSISDBHSA-N 491.614 2.050 30 10 JEEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CCc1ccc(C)cc1C)[C@H]1CCS(=O)(=O)C1 1286385701 ZAWCWSGRVJQFBX-WIOPSUGQSA-N 486.638 2.416 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1CCN1CCCC[C@H]1CC)[C@@H]1CCS(=O)(=O)C1 1286386845 ILTIIPBLFIUCQJ-NHCUHLMSSA-N 456.616 2.231 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1Cc1csc(COC)n1)[C@H]1CCS(=O)(=O)C1 1286387422 DRKZRWCWDUISMD-INIZCTEOSA-N 493.014 2.271 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1Cc1ccc(OCCC)nc1)[C@@H]1CCS(=O)(=O)C1 1286388083 XUTNTLHGNFBBNB-LJQANCHMSA-N 468.583 2.142 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCOC2)n1CC1(C(N)=O)CCOCC1 1286455989 KSMGYJFCMAHCGB-IBGZPJMESA-N 455.534 2.233 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCNC(=O)C(C)(C)C 1286470411 VKJUGWUWIPAHTC-HDICACEKSA-N 476.622 2.297 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1286783961 RPNJHIZRZGIZOE-KRWDZBQOSA-N 484.557 2.122 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CC[C@@](O)(Cc2cccc(Cl)c2)C1 1286786165 YZLIFSWMRUBUME-HSZRJFAPSA-N 452.946 2.480 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)CC1CCOCC1 1286820427 LGHDHUKCDOSQSZ-FQEVSTJZSA-N 462.572 2.254 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1286825079 LKXZJJJEOYZFRX-BZSNNMDCSA-N 474.574 2.475 30 10 JEEE CN(C)CCN1CCC(Cn2c(CCc3ccccc3)nnc2N2CCO[C@@H](C#N)C2)CC1 1298084426 HNAFJDFMWHNIHA-QHCPKHFHSA-N 451.619 2.066 30 10 JEEE CNC(=O)CCCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1299183969 ATBIERDVDZNGEB-SFTDATJTSA-N 493.591 2.125 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](Cc2ccc(C#N)cc2)C1 1300411514 SRPINLAWJNAKBB-XZOQPEGZSA-N 496.637 2.355 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1Cc1cnccc1OC)[C@H]1CCS(=O)(=O)C1 1300490107 ZNIQVMJBVVJGGQ-SFHVURJKSA-N 497.577 2.041 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2CCc2nc(C(F)(F)F)cs2)CC1 1300682145 FIPQXAOCDWHSFO-HNNXBMFYSA-N 472.537 2.475 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCN2CCOCC2(C)C)CC1 1300682226 IIPNRSMKYFDKGJ-UHFFFAOYSA-N 479.629 2.013 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@@]2(C)CN(C)C2=O)CC1 1300708336 QZTLDZRONOKJSG-AREMUKBSSA-N 464.614 2.388 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC[C@H]2CCCCO2)CC1 1300716815 RQYJAEPARXBIDC-PXDATVDWSA-N 473.618 2.244 30 10 JEEE C#CCSCCn1c(Cc2ccccc2C)nnc1N1CCN(CC(=O)NC(C)C)CC1 1300765446 DVYOESICOBHASU-UHFFFAOYSA-N 454.644 2.190 30 10 JEEE C=CC1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1301109015 FFEXRVCJUDKERV-SKRYCIJKSA-N 470.574 2.248 30 10 JEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CCC(C)(C)C)CC1 1301222963 JZLRHDKIDINBNU-LJQANCHMSA-N 468.668 2.135 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1NC(=O)CC1(C)C 1301357088 IYBLVNHBZDJUEI-HOCLYGCPSA-N 466.633 2.057 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1301518810 KMMYBEWOKCSNKL-GOSISDBHSA-N 484.601 2.299 30 10 JEEE N#CC[C@@H](CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)c1ccccc1 1352151739 DZBNPLRAPJUBKP-IBGZPJMESA-N 455.536 2.378 30 10 JEEE CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)Nc1ccn(CCC#N)n1)n2C 1354054215 FUMRAQPPEJWBOY-UHFFFAOYSA-N 457.560 2.285 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1358888147 HXMSSFIJMVGLAT-UGJKGHESSA-N 497.600 2.377 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@H]1CCN(CCC)C1)[C@@H]1CCS(=O)(=O)C1 1358961498 ACSVFWWXEHNJGU-VQTJNVASSA-N 456.616 2.007 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCc1ccsc1)[C@H]1CCS(=O)(=O)C1 1358966792 WZTKOZUBAAHZFO-IBGZPJMESA-N 458.613 2.071 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1cc(OC)c(OCC)c(OC)c1 1358968086 ZCBNKLAWUBPNKA-UHFFFAOYSA-N 451.527 2.051 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 1358984282 OXMKOJJAHDLBLY-NRFANRHFSA-N 462.554 2.045 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)COCc2ccccc2)CC1 1359028657 ZKTUCOSQQCGWIC-OAQYLSRUSA-N 450.587 2.122 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(N2CCSCC2)CCCC1 1359064660 XVQCOOOFMVGMPJ-GHTZIAJQSA-N 480.704 2.242 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCNS(C)(=O)=O 1359069965 CBHKFMDFYPOBAP-FDDCHVKYSA-N 494.662 2.324 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1359104594 DASWUSHPFJBHNP-MZKRTTBSSA-N 474.650 2.365 30 10 JEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(Cn3cccn3)cc2)CC1 1359158996 KBZVWWNKWSXXRB-GOSISDBHSA-N 455.588 2.338 30 10 JEEE C=CCCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCS(=O)(=O)CC1 1359206244 ZEEHUGSHIXNIIJ-UHFFFAOYSA-N 472.659 2.234 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCC[C@H](C(N)=O)C2)nnc1C1(c2ccccc2)CCC1 1359335327 ICSLJUBSKCPKOW-SFHVURJKSA-N 457.600 2.051 30 10 JEEE N#Cc1cccc(NC(=O)C2CCN(C(=O)[C@@H](O)[C@H](O)c3nc4ccccc4s3)CC2)c1 1464692616 HLJWIEGLCQEOPT-PMACEKPBSA-N 450.520 2.440 30 10 JEEE COc1ccccc1Cc1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1504406371 HPPTXUABRGISRE-MBSDFSHPSA-N 472.615 2.289 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(Br)s2)n1CCCNS(C)(=O)=O 1507663440 CDNKXTFYIHSESF-UHFFFAOYSA-N 470.418 2.171 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@]1(O)CCOC1 1507699760 KNOWZJNOKDHYGQ-DNQXCXABSA-N 458.534 2.249 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(N2CCCCCC2)nc1 1507712087 BXYFMICMMJTHNG-HXUWFJFHSA-N 451.575 2.139 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CC1CCN(Cc2ccccc2)CC1 1507713098 XXGQJBLQCKUYKU-JOCHJYFZSA-N 450.587 2.227 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Cl)cc2)n1CCS(=O)(=O)N(C)C 1507770215 QQDAAGMCHCKEAV-HXUWFJFHSA-N 451.980 2.394 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2F)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1507794241 HAGZMGJGTXCDBI-RXVVDRJESA-N 484.576 2.239 30 10 JEEE C=C(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 1507830956 QPNJFKJFAAXGTP-HXUWFJFHSA-N 465.595 2.461 30 10 JEEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1507833221 DIHULAGTOVMKKI-UHFFFAOYSA-N 485.658 2.417 30 10 JEEE C=C(C)COCCn1c(Cc2c(F)cccc2F)nnc1N1CCC(NS(C)(=O)=O)CC1 1507845602 KUTIZBVBTQWUSF-UHFFFAOYSA-N 469.558 2.258 30 10 JEEE C=C(Cn1c([C@H](C)OCCOC)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1)c1ccccc1 1507856540 ZZAUIJHKLKAFCS-JTHBVZDNSA-N 482.629 2.458 30 10 JEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2c(Cl)c(C(F)(F)F)nn2C)CC1 1507880354 HXMJTZWCSUQECN-NSHDSACASA-N 481.932 2.499 30 10 JEEE C=CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1507927519 WYTCXCZAYAKFQU-UHFFFAOYSA-N 481.644 2.177 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@@H](COCC)C1 1508140156 KUHSVXUDGGXFGV-QGZVFWFLSA-N 486.598 2.448 30 10 JEEE C=CCSCCn1c(Cc2ccccc2OC)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1508162003 JCSZAWJINNEUOP-KRWDZBQOSA-N 465.645 2.267 30 10 JEEE CC(C)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)N1CCOCC1 1508862702 GINJFQGRDQQEDI-JQVVWYNYSA-N 488.658 2.431 30 10 JEEE CNC(=O)CCN(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1cn2ccc(C)cc2n1 1517581375 IBBIHSSPHVYKCC-UHFFFAOYSA-N 458.526 2.306 30 10 JEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@H](C)c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1539201097 WANBOLVCXJIAFU-FXAWDEMLSA-N 473.574 2.084 30 10 JEEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CCCC(C)C)[C@H]1CCS(=O)(=O)C1 1539207052 YYQROJCSPNTHKB-SIKLNZKXSA-N 452.621 2.382 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@H](OC)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1539231181 SPTLAFTYNHSRRW-CTNGQTDRSA-N 485.610 2.417 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCN(CC)C1 1539266454 QTUHRHHPYZHSGE-WOJBJXKFSA-N 456.591 2.001 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CC[C@@H](OCC)C(C)C)CC1 1539436100 JINLFZZAVJOKHB-JOCHJYFZSA-N 463.590 2.127 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CCc2ccccc2)nnc1N1CCN(S(C)(=O)=O)CC1 1539647035 UWVHTRJQKCHILY-RBBKRZOGSA-N 459.616 2.126 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1540898200 CKZVOYDZFIEMQR-GOSISDBHSA-N 461.588 2.050 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCO[C@H](COC(C)C)C1 1540900617 BNAOAOIZYOFEIR-KRWDZBQOSA-N 452.552 2.315 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N2CCCN(C(=O)c3ccccc3F)CC2)C1 1564530280 ADGGLSDUNFLKQT-LPHOPBHVSA-N 459.522 2.442 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2c(C)coc2C)c1 1587684139 SYRHVWADIKLQKK-MRXNPFEDSA-N 484.582 2.203 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(OC)CCCCC1)[C@H]1CCS(=O)(=O)C1 1588035866 YMLRBNZAJGOETR-RDPSFJRHSA-N 494.658 2.295 30 10 JEEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(OCC(C)C)cc2)CC1 1588864965 NKCWCBPWOWZSLD-UHFFFAOYSA-N 450.587 2.239 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CCC2(COC)CCC2)CC1 1588954318 FJXMEXLSJCPSFW-UHFFFAOYSA-N 450.587 2.437 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N(C)CCN1CCOCC1 1589568532 KHCGSFGECFHSEU-WIYYLYMNSA-N 474.631 2.019 30 10 JEEE C=CCCOCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1594784441 ZTUAGQPZMKHWEN-QUCCMNQESA-N 452.559 2.455 30 10 JEEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2F)n1CCNS(=O)(=O)Cc1ccon1 1594914147 XPUZZPFLZSTJJE-UHFFFAOYSA-N 454.915 2.467 30 10 JEEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCN1CCCO 1594963484 TXSCNAOXTOLNPP-MOPGFXCFSA-N 464.611 2.056 30 10 JEEE C=CCSCCn1c(-c2cccnc2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1595866519 NXTNIOLXOUJLTR-KRWDZBQOSA-N 450.634 2.367 30 10 JEEE C[C@@]1(C#N)CCCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCN2CCC(O)CC2)C1 1611764891 AHOYHKADJYIJHM-DEOSSOPVSA-N 486.642 2.325 30 10 JEEE CCN(CC)C(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCOC[C@H]2C)CC1 1615336534 CLWNHRJUZZSROB-HXUWFJFHSA-N 480.617 2.121 30 10 JEEE C[C@H]1[C@H](c2ccc(Br)cc2)OCCN1C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1628845940 BMWYONARPVOBQI-ORAYPTAESA-N 478.368 2.476 30 10 JEEE C=CCOCCCC(=O)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1638016006 IEIPRUAXJLCSOO-RBUKOAKNSA-N 450.580 2.363 30 10 JEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@@H]3CCC[C@H]([S@@](C)=O)C3)nnc12 1651144022 ULAKICHAAKLWDN-XBEXLBAHSA-N 459.597 2.128 30 10 JEEE CC(C)CN(C(=O)CNC1(c2cccc(C#N)c2)CC1)c1c(O)nc(=O)n(CC(C)C)c1N 1653577552 COFIJLOIBJKULH-UHFFFAOYSA-N 452.559 2.327 30 10 JEEE C#CCOc1ccccc1NC(=O)NCC[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1670866915 WLWJRNHOHMPORS-INIZCTEOSA-N 451.545 2.244 30 10 JEEE C=CCS(=O)(=O)CCNC(=O)N1CCC([C@H]2C[C@H](NC(=O)OC(C)(C)C)CCO2)CC1 1685844301 OHDVPORRUNOQLO-QZTJIDSGSA-N 459.609 2.081 30 10 JEEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1689863025 LMPQWRVCHAVIQT-SBUREZEXSA-N 460.600 2.162 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cnn2ccccc12 1690019094 APXSYYSHCRZBGL-NRFANRHFSA-N 475.553 2.355 30 10 JEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(OC)c(OC)c2OC)CC1 1690363962 GEPSYVFSYSYRPC-OAHLLOKOSA-N 465.576 2.119 30 10 JEEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1690644508 PWLYQFOJILUUGZ-IAGOWNOFSA-N 464.567 2.487 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N(C)C[C@@H]1CCCO[C@@H]1c1ccccc1 1690655361 QKVLZJLILQGABB-PZJWPPBQSA-N 454.575 2.323 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H]2CCCOC2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1690683135 BWXGQLCQVMZTOO-VQTJNVASSA-N 475.615 2.303 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl 1690714114 FEVSCKWZYFZUGL-SUMWQHHRSA-N 464.419 2.037 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC(NC(=O)c2ccccc2)CC1 1690722684 RQVMCCBYCVEJOS-UHFFFAOYSA-N 482.610 2.283 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCC(OC[C@H]2CCOC2)CC1 1690724389 NUMPITAXEOUERM-ICSRJNTNSA-N 468.620 2.142 30 10 JEEE C=CCS(=O)(=O)CCn1c(CCOc2ccccc2)nnc1N1CCc2c(ccnc2O)C1 1690726828 NAIBALVSMYPOAI-UHFFFAOYSA-N 469.567 2.164 30 10 JEEE CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2Cc2ccc(OCC(F)(F)F)nc2)CCOC1 1696083746 ARQHBGKJHYPWNA-UZLBHIALSA-N 482.463 2.043 30 10 JEEE CN(C[C@H]1CCOC1)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCCS1(=O)=O 1696765312 AFTWQHBGSPWCAT-UYAOXDASSA-N 459.572 2.169 30 10 JEEE CN(CCN1CCOC(C)(C)C1)c1nnc(-c2cccc(C#N)c2)n1CC1CCS(=O)(=O)CC1 1696821867 AOGJFLGVAPUWAU-UHFFFAOYSA-N 486.642 2.189 30 10 JEEE COC(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C2CC2)N(C)C)C1 1697039205 DWLMPVIBGBARHD-FPOVZHCZSA-N 452.559 2.458 30 10 JEEE CO[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1697123318 AAZACDXNZAOUSZ-LJQANCHMSA-N 467.574 2.492 30 10 JEEE COC[C@@H]1CCCCN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(=O)(=O)Cc2ccon2)C1 1697839204 FJFQHQNWZWDGOI-LJQANCHMSA-N 499.597 2.177 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCCO3)n2CCCN2CCOC2=O)c1 1705507154 SWLXKPPPFRSRDT-HXUWFJFHSA-N 466.542 2.418 30 10 JEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2ccc(F)cc2)C1 1705516571 DZWXARJCMNZCRQ-SFTDATJTSA-N 491.589 2.132 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CCc1ccc(O)cc1 1705533235 WBSMZVGQMWEBLX-GHTZIAJQSA-N 475.615 2.188 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1CCOc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1705564562 PENTUXWULRINQN-IBGZPJMESA-N 451.552 2.354 30 10 JEEE C#CCN(c1nnc(CCOc2ccccc2)n1C[C@H]1CCSC1)[C@@H]1CCS(=O)(=O)C1 1705568446 NQDMOCWHYHPTBA-RTBURBONSA-N 460.625 2.279 30 10 JEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1Cc1nnc(C)s1)[C@H]1CCS(=O)(=O)C1 1705571112 VWIGZVHNWDPWJZ-KRWDZBQOSA-N 477.015 2.357 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1CCS(=O)(=O)CC1 1705587392 STHBCTVICHSQSF-IBGZPJMESA-N 475.615 2.248 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)cn3C)n2CCCOC)CC1 1705644929 GTZZLLIMIOIJAC-UHFFFAOYSA-N 463.380 2.048 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCN(C)CCCC)CC1 1705646134 SHTXOCPYYPHANA-UHFFFAOYSA-N 466.586 2.372 30 10 JEEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1705655191 GXFWPXBNVSTLQO-QFIPXVFZSA-N 476.624 2.344 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)C1CCN(Cc2ccccc2)CC1 1705894791 LMRTYLBGWGEAKI-UHFFFAOYSA-N 488.596 2.328 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(c2ncccn2)CC1 1705933450 HQAMPOUBGSQLNU-UHFFFAOYSA-N 491.980 2.455 30 10 JEEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C)C(C)(C)C1 1705946754 QFIHFXZUYUFMIW-IAGOWNOFSA-N 457.666 2.403 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@]1(C)OCCc2sccc21 1706069466 CZPVZZJUHHAAAL-PJIJBLCYSA-N 452.606 2.034 30 10 JEEE CC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCOCC2)C[C@@H](C)O1 1709372855 DCWCHGCNRMSMBA-TZIWHRDSSA-N 454.575 2.455 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1ccc(OCC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1722360210 FFKLXJMWIHJMMY-GOSISDBHSA-N 469.567 2.356 30 10 JEEE C#CCN(c1nnc(-c2ccccc2)n1CCCN1CCCO[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1722363737 VDNZWELLTZAZBT-IRLDBZIGSA-N 471.627 2.073 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@](C)(O)[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1722365616 NFCWFEHUQBHEAV-FHJLPGHOSA-N 462.591 2.432 30 10 JEEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1CCCc1nc(C)no1)[C@H]1CCS(=O)(=O)C1 1722365800 OAOPRGWZGDJOHE-IBGZPJMESA-N 489.001 2.473 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCn1c(C)nc2ccccc21 1722382944 LBGGTUJFJXVMHG-IBGZPJMESA-N 450.568 2.001 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN1CCCCC1 1722393571 FJUIICQQVOWKEY-UHFFFAOYSA-N 453.616 2.187 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(F)cc2Br)n1CCCNC(C)=O 1722423434 CKABXTXJECYZNV-UHFFFAOYSA-N 452.328 2.459 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccc(OCCC)nc2)CC1 1722432789 FAABBHMOMUAENT-RUZDIDTESA-N 468.602 2.306 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2CC[C@](C)(CC)O2)CC1 1722434780 ZWXSGOBSXBHGNP-RDPSFJRHSA-N 471.627 2.452 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@]2(OC)CCOC2)CC1 1722448243 WXNAPEGZCPNSBW-XMMPIXPASA-N 471.989 2.294 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccc(OCCN(C)C)cc2)CC1 1722450416 HZPITLCZHAHJEX-HSZRJFAPSA-N 480.613 2.084 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2ccc(F)c(F)c2)C1 1722459812 RTVYFCXQEQDNMM-VQIMIIECSA-N 482.578 2.403 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)C[C@@H](C)C(=O)NC 1722507707 IWTABAVJTGJQFA-NRSPTQNISA-N 482.633 2.252 30 10 JEEE C=C(C)COCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@@H](NC(C)=O)C1 1722529296 QSUXLCJNEQQZQA-LJQANCHMSA-N 489.646 2.244 30 10 JEEE C=CC1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCCN2c2cc(NC)ncn2)CC1 1722572663 ATYAUOWSVVYPOM-GOSISDBHSA-N 453.595 2.319 30 10 JEEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](CC)C1 1722682701 CUFVPJHJQIFFDI-HRCADAONSA-N 456.613 2.204 30 10 JEEE CC(C)(C)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(=O)(=O)Cc2ccon2)CCO1 1722919943 HYGZVYJZNWEFJZ-FQEVSTJZSA-N 499.597 2.176 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H]1CC[C@](C)(CC)O1)[C@@H]1CCS(=O)(=O)C1 1740626071 RTQZJZGAXMNWSP-QTEQDKRBSA-N 457.600 2.238 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCN1CCC(C)CC1 1740630937 NWNFKPOTLNDHPS-UHFFFAOYSA-N 482.654 2.390 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCn2ccnc2C1 1740647914 ZIUJBNJMJRXEOC-IBGZPJMESA-N 462.579 2.271 30 10 JEEE C#CCN(CC)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@]1(O)CCS(=O)(=O)C1 1740673653 BLXHTYHPTGCMOH-HSZRJFAPSA-N 460.600 2.298 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C3(c4ccccc4)CCC3)n2CC[S@@](=O)CC)CC1 1740703550 WTWFHYPYOSOENL-XIFFEERXSA-N 467.639 2.483 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCSc2ccc(C)cc2)CC1 1740705667 LATFWLXXYJJKAU-FQEVSTJZSA-N 466.611 2.296 30 10 JEEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1740722780 JXGKXUIEIDGQQQ-UYAOXDASSA-N 460.648 2.065 30 10 JEEE C=C(Br)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC(=O)N(C)C[C@H]1C 1740736184 GMPXENGQXJZXAJ-CYBMUJFWSA-N 481.782 2.437 30 10 JEEE C=C(C)COCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1740797596 ROHRKQDWCQPCQS-VWLOTQADSA-N 493.568 2.136 30 10 JEEE C=C(C)COCCn1c(N2CCN(c3ncccc3C#N)CC2)nnc1[C@@]1(OCC)CCOC1 1740799220 IIKKOCYXQOIJQZ-XMMPIXPASA-N 467.574 2.116 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2c(Cl)cccc2OC)CC1 1740826173 YVFLDFZORHJGOE-IBGZPJMESA-N 482.006 2.478 30 10 JEEE C=CCCOCCn1c(N2CCc3nc(O)c(C#N)cc3C2)nnc1[C@]1(OCC)CCOC1 1740888143 KPYVJOIRCIZKQV-QHCPKHFHSA-N 454.531 2.058 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CC(F)F)CC1 1740965504 QELKCNGFAIUBMB-INIZCTEOSA-N 483.564 2.039 30 10 JEEE CC(=O)N1CCN([C@@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CC(F)(F)F)C[C@H]2C)CC1 1741057445 AIXFVXQUYNODQN-DNVCBOLYSA-N 461.492 2.368 30 10 JEEE CC[C@H](C)[C@@](C)(O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1743495007 DFDGSNIMCPFLOO-UXSWERMXSA-N 469.565 2.364 30 10 JEEE CN(CCS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CCCCCC1 1747998278 GVUKASJKIWFZJE-UHFFFAOYSA-N 461.588 2.295 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2Cc2ncccc2N(C)C)CC1 1748971630 XHYACDCMJOFADU-UHFFFAOYSA-N 472.597 2.412 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(Cl)c2)CC1 1749000919 DMQZXEBRWOTWEI-UHFFFAOYSA-N 454.962 2.182 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc(F)cc2)CC1 1749003301 DWKWKQAYUXATLU-VWLOTQADSA-N 469.561 2.472 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCOC2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1749129743 HQMZWJXPPKJJLA-BJLQDIEVSA-N 467.636 2.014 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1749650521 AGVGMFLJEGLLLR-IRXDYDNUSA-N 474.009 2.083 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1749663981 CQJRQHGMTDFXKB-VFNWGFHPSA-N 476.375 2.394 30 10 JEEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](c2ccccc2F)C1 1749677953 QCGWLDDWGOJHFR-SFHVURJKSA-N 484.557 2.289 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1749679839 BSHBMAJPAIJHEV-LJQANCHMSA-N 468.602 2.479 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@](C)(CC)C1 1749740795 YYOSOSKFSIQGAP-JOCHJYFZSA-N 459.572 2.335 30 10 JEEE CC(C)NS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1751005522 CWRPXLNMODRGPJ-JOCHJYFZSA-N 495.609 2.041 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CCN2CCC[C@@H](C)C2)c1 1760127313 WDJZOINWFDNHNG-LJQANCHMSA-N 465.602 2.204 30 10 JEEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCC(C)C)[C@H]1CCS(=O)(=O)C1 1760182272 DQPMODUBOIKMQV-IBGZPJMESA-N 478.640 2.412 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCC1CC(OC(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1 1760190363 WFGMSYBYFLPOFS-SYYJFZTOSA-N 474.631 2.289 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCC[C@H](C)C1 1760203910 UXCYRWMIHFKYMJ-SFTDATJTSA-N 470.618 2.391 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1760209824 IDDGPJBEOZJZEL-OALUTQOASA-N 473.574 2.302 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCC(=O)NC(C)(C)C)CC1 1760256815 UGVRVQRCCGWWNK-UHFFFAOYSA-N 454.575 2.022 30 10 JEEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CCc2ccc(Br)cc2)CC1 1760260612 ZIEALJQZOWZFEL-UHFFFAOYSA-N 452.360 2.496 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(CCOc2ccccc2)n1CCS(=O)(=O)N1CCSCC1 1760297236 LZVHXKLRDTYFHF-HSZRJFAPSA-N 489.667 2.270 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C(N)=O)CC1 1760324579 LFLJJRQOZUHSIX-DENIHFKCSA-N 450.543 2.412 30 10 JEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)CC2CCCCC2)CC1 1760450766 RSWBTWVDVJXZLD-OAQYLSRUSA-N 493.674 2.392 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCCN(Cc2nc([C@@H](C)OC)no2)CC1 1760520552 RQYNOMXVLLHEGZ-QGZVFWFLSA-N 498.563 2.189 30 10 JEEE C=CCNC(=O)Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CC[C@]2(CNC(=O)C2)C1 1760526581 CNPSBFIPKFTBTI-DEOSSOPVSA-N 487.004 2.270 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 1760529055 VWHUHCVQYFEXNI-NFBKMPQASA-N 498.603 2.487 30 10 JEEE Cc1cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(Cc2ccc(C#N)cc2)C2CC2)no1 1761683965 ASYHKWCWDAXGGP-HNNXBMFYSA-N 455.544 2.274 30 10 JEEE CC[C@H](C)[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1)OC 1763464201 FCVGUAFGFIIVCT-ILZDJORESA-N 453.547 2.004 30 10 JEEE CCn1nc(-c2nnc(N(C)C[C@@H](C)C#N)n2CCCN2CCC(O)CC2)c2ccccc2c1=O 1765578641 HWYPANSDUUDYBC-SFHVURJKSA-N 478.601 2.118 30 10 JEEE CNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CN(CC(C)C)CCO2)C1 1767655672 DBUYMMJOTQURNE-YADHBBJMSA-N 465.602 2.136 30 10 JEEE CO[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1)C(C)C 1768075376 CWBILWZKALHWAZ-PWIZWCRZSA-N 476.603 2.009 30 10 JEEE COCC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1770977924 CPWCTBRFQFHSGI-DNQXCXABSA-N 465.558 2.090 30 10 JEEE O=C(ON1C(=O)c2ccccc2C1=O)[C@@H]1[C@H]2[C@H]3C=C[C@@H]([C@H]4C(=O)N(Cc5ccccc5)C(=O)[C@@H]34)[C@H]21 1772789207 BNZROLRRLQHSEZ-CJJLBDBPSA-N 468.465 2.220 30 10 JEEE C=CCN(CC=C)c1nc(NC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)n(C(C)(C)C)n1 1870000667 SGUOPBCALFCNFP-UHFFFAOYSA-N 467.486 2.354 30 10 JEEE C#CCOc1cn(CCN2C(=O)CSC2=O)c(CNc2ccc(NC(C)=O)cc2)cc1=O 1871009284 NTAIVCPHIYCBSL-UHFFFAOYSA-N 454.508 2.126 30 10 JEEE CCCCCCCCN=c1nc(N2CC(O)C2)[nH]c(=Nc2cc(OC)c(OC)c(OC)c2)[nH]1 1871565943 FUJFWWGHUYCWIV-UHFFFAOYSA-N 460.579 2.438 30 10 JEEE O=C1C[C@H](c2nnc(SCCO)n2/N=C/c2ccc(O)c([N+](=O)[O-])c2)CN1Cc1ccccc1 1874208861 QHBUGRQHPCJSOC-FZJZADEZSA-N 482.522 2.375 30 10 JEEE CCCOC(=O)CSc1nnc(CCOC)n1/N=C/c1cc(OC)c(OC)c(OC)c1 1874474792 SOMDWOLKERBPDG-CIAFOILYSA-N 452.533 2.420 30 10 JEEE CN1CCN(CC#CCOC2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)CC1 1889597019 QTHOEVHKRKMPGX-UHFFFAOYSA-N 459.534 2.126 30 10 JEEE CC(C)N1C(=O)CS[C@H](C(=O)N2CC[C@H](Oc3ccc(N(C)C)nn3)C2)[C@@H]1c1ccc(C#N)cc1 1891350497 IKDZHKJBVWEYIC-IGKWTDBASA-N 494.621 2.488 30 10 JEEE CC(C)c1cc(=O)n2c(n1)SC[C@H]2CC(=O)N1CCC(COc2nccnc2C#N)CC1 1891369437 KAPZJRRZEADJMA-MRXNPFEDSA-N 454.556 2.383 30 10 JEEE Cc1nc(I)c(I)n1C[C@](N)(C#N)C1(Cl)CC1 2025840954 RSVQOZGWTSSUOP-SNVBAGLBSA-N 476.487 2.393 30 10 JEEE C#CCN(C(=O)C1(CO)CN(C(=O)OC(C)(C)C)C1)C1CCN(C(=O)OC(C)(C)C)CC1 2080810247 PUZNIXFROXWNCE-UHFFFAOYSA-N 451.564 2.077 30 10 JEEE CC(C)(C)OC(=O)N[C@@]1(C(=O)N2CCC[C@H](B3OC(C)(C)C(C)(C)O3)C2)CCS(=O)(=O)C1 2124543150 NWIUSIZFLLDZEY-BTYIYWSLSA-N 472.413 2.153 30 10 JEEE CC1=C(B2OC(C)(C)C(C)(C)O2)CN(C(=O)[C@@H](F)C2(O)CN(C(=O)OC(C)(C)C)C2)CC1 2137179999 VTEUEHURKNYIQP-MRXNPFEDSA-N 454.348 2.487 30 10 JEEE CC1(C)OB(c2ccc(C(=O)N[C@@H]3CCOC[C@@H]3NC(=O)OCc3ccccc3)o2)OC1(C)C 2255712910 TZFSPLNGJPKUNZ-MSOLQXFVSA-N 470.331 2.393 30 10 JEEE CC1(C)OB(c2nccnc2C(=O)N[C@@]2(C)CCN(C(=O)OCc3ccccc3)C2)OC1(C)C 2256070538 ZFXMUULXKPZMSP-DEOSSOPVSA-N 466.347 2.307 30 10 JEEE CC(C)(C)OC(=O)N[C@H](C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1)[C@H]1CCCO1 2256677044 UUNYJFQIXSEPIA-OCCSQVGLSA-N 453.370 2.453 30 10 JEEE Cn1nc(C(=O)N[C@H]2C[C@H](CNC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2267182082 BAIBCZNMBJUSQQ-JOCQHMNTSA-N 468.791 2.406 30 10 JEEE CC(C)(C)OC(=O)NC1[C@@H]2CN(S(=O)(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)cc3)C[C@@H]12 2267370539 NFXFLHSOTPALDZ-IAGOWNOFSA-N 464.393 2.129 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2CCC[C@H](OCc3ccccc3)C2)n1 2267472112 NGGQNYNDQMOXOC-SFHVURJKSA-N 461.393 2.089 30 10 JEEE CO[C@H]1C[C@H](CNC(=O)OC(C)(C)C)N(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)C1 2267531540 RMKMZJNKZSNFIC-KGLIPLIRSA-N 467.397 2.197 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1C[C@H](F)C[C@H]1CNC(=O)OC(C)(C)C 2267599066 JOFUXSLEDJIOSD-CVEARBPZSA-N 451.348 2.402 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)CC[C@@H]1CO 2267612713 NJFACCJYCWEGLV-CABCVRRESA-N 466.409 2.395 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2268648914 FZELTFAUICAKAM-HNNXBMFYSA-N 451.304 2.094 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1F 2268714074 FXZVYBFUVFROHA-AWEZNQCLSA-N 456.295 2.478 30 10 JEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)CC2(C)C)n1 2281954253 VPTJXHQQMBMNRZ-AWEZNQCLSA-N 463.388 2.022 30 10 JEEE Cc1cc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2CO)oc1B1OC(C)(C)C(C)(C)O1 2281974932 ZJRJQUZBFMSROR-CVEARBPZSA-N 464.368 2.235 30 10 JEEE C[C@@H]1OC2(CNC(=O)OC(C)(C)C)CC1(NC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1)C2 2282009559 RLOKCFBRBFJCIM-MFBUALDNSA-N 479.408 2.387 30 10 JEEE CCn1cc(C(=O)NC2CC(F)(CNC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2282032169 CHZJISTXIHCRIZ-UHFFFAOYSA-N 466.363 2.327 30 10 JEEE C[C@H]1CN(C(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C[C@@]1(C)CNC(=O)OC(C)(C)C 2282035735 YYPPOAHJEALMAX-NPMXOYFQSA-N 462.400 2.342 30 10 JEEE CN(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 2282174504 GJDUPKJRVQYSDX-CABCVRRESA-N 463.388 2.022 30 10 JEEE COc1ccc(S(=O)(=O)NC[C@H]2C[C@@H]2NC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2282504805 UYCBMNBJSGBEII-PBHICJAKSA-N 482.408 2.186 30 10 JEEE Cn1nc(C(=O)N[C@]2(CF)CCN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2282552781 SFPZPMOHQDTLLL-NRFANRHFSA-N 486.781 2.452 30 10 JEEE Cc1nn(C)c(C(=O)N2CCC[C@H]2CN(C)C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2282561430 ZOHBQEWJENEAJL-INIZCTEOSA-N 462.400 2.499 30 10 JEEE Cc1nc(NC(=O)Cn2cc(NC(=O)OC(C)(C)C)cn2)ncc1B1OC(C)(C)C(C)(C)O1 2283948623 PACPKGDDGBTHEA-UHFFFAOYSA-N 458.328 2.266 30 10 JEEE CC(C)(C)OC(=O)NC(C)(C)[C@@H](O)C(=O)N1Cc2cccc(B3OC(C)(C)C(C)(C)O3)c2C1 2284022024 FOOMIWRETJVXHH-SFHVURJKSA-N 460.380 2.492 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1COC[C@@H]1C(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)ccc1F 2284026329 BUGACLBXYIRJTJ-WMZOPIPTSA-N 464.343 2.281 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NCCN(CC(=O)O)Cc1ccccc1 2284332650 CIEHVVBINKJYSW-UHFFFAOYSA-N 455.364 2.124 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1CC(F)(F)CN1C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2296418833 OCMLVQNOQIATSY-CYBMUJFWSA-N 468.310 2.150 30 10 JEEE CC(C=Cc1ccccc1)=NN=c1[nH]nc(SCC(=O)Nc2ccc3c(c2)OCCO3)n1N 2313707897 UACNAGOGRQTRHM-UHFFFAOYSA-N 465.539 2.417 30 10 JEEE C=CC1(N[C@@](C)(C(=O)O)[C@H]2CN(C(=O)OC(C)(C)C)CCO2)CN(C(=O)OC(C)(C)C)C1 2326232962 IMXQBAOSIXHBSF-QVKFZJNVSA-N 455.552 2.231 30 10 JEEE CO[C@H](CNC(=O)OC(C)(C)C)CNC(=O)c1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2339941802 HXTIKDAVAIONIU-HNNXBMFYSA-N 452.332 2.394 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 2362357572 ONKHIRNRHVKZTG-CVEARBPZSA-N 460.384 2.048 30 10 JEEE COC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)Oc1ccc(B2OC(C)(C)C(C)(C)O2)c(OC)n1 2365379370 IEVHOCXYPCUGDN-XJKSGUPXSA-N 466.340 2.223 30 10 JEEE C/C(O)=N/S(=O)(=O)c1ccc(NC(=O)[C@H](C)NS(=O)(=O)/C=C\c2ccccc2)cc1 33497414 JJNHUYZKMDOMEI-DINCDJDBSA-N 451.526 2.269 30 10 JEEE CCOC(=O)c1sc(NC(=O)CSc2n[nH]c(N/N=C/c3cnn(C)c3)n2)c(C#N)c1C 59310897 DSTRZGHLOBQWQG-CGOBSMCZSA-N 473.544 2.133 30 10 JEEE CN1C(=O)[C@@]2(/C(=C(/O)c3cc4ccccc4o3)C(=O)C(=O)N2CCN2CCOCC2)c2ccccc21 111917102 NRRFLEBPJNSZAR-PDOAKGDFSA-N 487.512 2.317 30 10 JEEE COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CCN(C)C)cc1OC(C)=O 170425840 DKERVGHNQPRUTK-JOCHJYFZSA-N 482.489 2.489 30 10 JEEE CC(=O)N1CCc2c(sc(NC(=O)c3ccc4c(c3)C[C@@H](C)N4S(C)(=O)=O)c2C#N)C1 1131403079 BXMLLIYCRWNZJT-GFCCVEGCSA-N 458.565 2.487 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1CNC(=O)Nc1ccc(OCC)c(S(=O)(=O)N2CCOCC2)c1 1214225951 HQJDDFIRZQQTLL-OXQOHEQNSA-N 453.561 2.209 30 10 JEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CN(CC(C)C)CCO1 1286375944 AWSWSMMVJDEZCA-PMACEKPBSA-N 476.622 2.013 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1Cc1c(C)nn(C)c1C)[C@@H]1CCS(=O)(=O)C1 1286388505 QIEYJZRVEULYCR-QGZVFWFLSA-N 473.990 2.019 30 10 JEEE C#CCN(c1nnc([C@@H]2COc3ccccc3O2)n1C[C@](C)(O)[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1286392655 JDOKITPUCBNBRK-FSENYNONSA-N 488.610 2.214 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(OC)ccc2Br)n1Cc1nnnn1CC1CC1 1286401025 IGIBQGRCDUQCNY-UHFFFAOYSA-N 481.358 2.234 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2(OC)CCC(C)CC2)CC1 1286469121 AAYVFQJLUBBAGJ-UHFFFAOYSA-N 451.575 2.276 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2CCS(=O)(=O)C(C)(C)C)CC1 1286494013 KTLQGJXQQSWZDZ-UHFFFAOYSA-N 477.656 2.110 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 1286495796 FPYRXANZOSZHED-MRXNPFEDSA-N 499.622 2.137 30 10 JEEE C#CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@](C)(C(=O)NC)C1 1286496896 JRIKHHWYPUWWPP-LJQANCHMSA-N 465.421 2.375 30 10 JEEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 1286507143 VIINLMJRQYVKHL-OAQYLSRUSA-N 453.612 2.430 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCc2sccc2C1 1286782021 IBDRRJFNVXPXEO-UHFFFAOYSA-N 486.623 2.122 30 10 JEEE C=CCNC(=O)Cn1c(Cn2ccc3ccccc32)nnc1N1CCN(CC(F)(F)F)CC1 1286791460 ZWCJVYJXNIMONY-UHFFFAOYSA-N 461.492 2.268 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1286791744 BIMMEJWECJNJKS-FQEVSTJZSA-N 454.575 2.081 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1286815387 TXFWASBTGGPDAO-QGZVFWFLSA-N 473.020 2.213 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCS(=O)(=O)CC1 1286817681 XLPWWUNTRUMLEI-UHFFFAOYSA-N 479.411 2.088 30 10 JEEE C=CCS(=O)(=O)CCn1c(Nc2ccn(C)n2)nnc1-c1cc(Br)cn1C 1286825611 UCKBAVKPLNMTMU-UHFFFAOYSA-N 454.354 2.124 30 10 JEEE CC(C)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)N(C)C)[C@@H](C)C1=O 1287775492 AZMSCIHZNWYDJP-MOPGFXCFSA-N 453.591 2.372 30 10 JEEE CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](c2ccnn2C)C1 1294912161 IDQBWIPQZWCFFQ-IBGZPJMESA-N 462.558 2.372 30 10 JEEE CCN(C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(C)(C)O)CC1)S(C)(=O)=O 1295266292 FIJXTXOWMMRVHE-UHFFFAOYSA-N 460.604 2.228 30 10 JEEE N#Cc1ccc(OC2CCN(C(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)CC2)c(F)c1 1297583744 DGTYSTZMOACXBA-UHFFFAOYSA-N 456.499 2.196 30 10 JEEE C#CCCCCn1c(N2CCN3C(=O)N(CC)C(=O)[C@@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1300377052 RMGRGIXXDUBMJO-OTWHNJEPSA-N 499.616 2.325 30 10 JEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1C[C@H]1CCCN(C(C)=O)C1)[C@H]1CCS(=O)(=O)C1 1300482465 GEVOSWCNZXYFPM-RXVVDRJESA-N 490.029 2.484 30 10 JEEE C#CCN(c1nnc(C2CCCC2)n1CC1(C(=O)N(C)C)CCCC1)[C@H]1CCS(=O)(=O)C1 1300491272 FZPIBZGZZMQFCJ-IBGZPJMESA-N 461.632 2.211 30 10 JEEE C#CCN(c1nnc(C2CC2)n1Cc1cc(OC)ccc1OC(F)F)[C@H]1CCS(=O)(=O)C1 1300493192 SBPVQWKKENGWGE-INIZCTEOSA-N 466.510 2.441 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@H](C)N(C)C1CC1)[C@H]1CCS(=O)(=O)C1 1300497647 BOYTZSBKEZUQNW-WMZOPIPTSA-N 477.581 2.257 30 10 JEEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1CCc1cccc(C(N)=O)c1 1300591042 JYWAXVVNQMYRND-UHFFFAOYSA-N 460.563 2.074 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H](C)N1CCOCC1 1300595491 CDTQPDSUTLIONS-NJYVYQBISA-N 470.618 2.232 30 10 JEEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)c1ccc(OC)cc1 1300763437 PKNGUASIYBRGQJ-PXNSSMCTSA-N 493.655 2.183 30 10 JEEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1300769872 LDERAPVTWRVZKJ-MBSDFSHPSA-N 453.568 2.479 30 10 JEEE C=CCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1301145913 LYWJPNMVOKXXKK-UHFFFAOYSA-N 482.633 2.221 30 10 JEEE C=CCCCCn1c(-c2cccnc2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1301182603 JYPCLJMKNXGWDR-HXUWFJFHSA-N 460.604 2.327 30 10 JEEE CC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCOCC2(C)C)C1 1301817817 GSNZQAPMYYZLMT-NRFANRHFSA-N 451.575 2.032 30 10 JEEE Cc1ccc(O[C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)cc1 1304391936 DWVXHHXWVFIMNT-GQIGUUNPSA-N 450.540 2.106 30 10 JEEE C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@@H](O)COc2cccc(C(F)(F)F)c2)c1 1309225942 KXLVWBPOLSPBTA-MRXNPFEDSA-N 458.458 2.339 30 10 JEEE CCN1CCN(CCCn2c(Cc3ccccc3OC)nnc2N2CC[C@](F)(C#N)C2)CC1 1313960390 HITWINBBWVNOMU-DEOSSOPVSA-N 455.582 2.347 30 10 JEEE CNC(=O)CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cnn(CCOC)c2)CC1 1315020268 CZWRENBOVYRONA-UHFFFAOYSA-N 462.558 2.060 30 10 JEEE Cc1cc(NC(=O)COc2cccc(Br)c2C#N)n([C@@H]2CCS(=O)(=O)C2)n1 1354009970 BHURDZDKLTWDCT-GFCCVEGCSA-N 453.318 2.203 30 10 JEEE C#CCCCn1c(COCC)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)C2(CCS(=O)(=O)CC2)C1 1358935372 GKHRZMAHGLWJNH-GOSISDBHSA-N 495.646 2.136 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1CC1(C)CCOCC1)[C@H]1CCS(=O)(=O)C1 1358959727 ORXBWKWXFGQIJW-SFHVURJKSA-N 488.610 2.406 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H](c1cccc(OC)c1)N(C)C)[C@H]1CCS(=O)(=O)C1 1358967262 GXSZYTWJHVFLRM-ILWGZMRPSA-N 487.626 2.068 30 10 JEEE C=C(C)Cn1c(-c2cccc(OC)c2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1359118476 LEMOOUOFDLWXMD-HXUWFJFHSA-N 461.588 2.161 30 10 JEEE C=CCCOCCn1c(CC(C)(C)C)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1359228267 YLAPRGOHPLAQDY-LJQANCHMSA-N 469.652 2.090 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(c2cc(F)ccc2F)CC1 1359330747 BUWYXQRNAZJMHT-UHFFFAOYSA-N 462.526 2.479 30 10 JEEE C[C@]1(C#N)CCCN(c2nnc(C(=O)Nc3ccccn3)n2CCCN2CCCCC2=O)C1 1360779999 DBTGAEAVPRAARO-HSZRJFAPSA-N 450.547 2.458 30 10 JEEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N2CC[C@@H](O)[C@@H](O)C2)c1 1471180229 KRSJZSBCGSLKIP-UXHICEINSA-N 450.944 2.289 30 10 JEEE CCC[C@@H](C)NC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N(C)C)C1 1500077145 AVIYJDLJWNWISD-YLJYHZDGSA-N 451.575 2.426 30 10 JEEE CN(C)[C@H](Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCO[C@@H](C#N)C1)C1CC1 1503381507 BZJTVTMPCBVGSA-VQTJNVASSA-N 473.622 2.462 30 10 JEEE CO[C@@]1(C)CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cc(CO)nn2)CC1 1504020131 CXCOUCYLMZMUSC-QHCPKHFHSA-N 450.547 2.386 30 10 JEEE COc1cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC2(N(C)C)CCC2)cc(OC)c1OC 1504078273 GCZTXTYBBAGBGY-KRWDZBQOSA-N 456.547 2.184 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(O)CCCCCC2)c1 1507551321 WJXYGGQUEXWFHQ-HXUWFJFHSA-N 499.637 2.322 30 10 JEEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1507558457 QXKYXAKTCFGTCY-UGKGYDQZSA-N 471.627 2.309 30 10 JEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 1507588526 MMULNBKDWFBRLX-IRXDYDNUSA-N 491.017 2.497 30 10 JEEE C#CCCCn1c(Cc2c(F)cccc2F)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1507592047 VEEGPBNPINCSIA-KRWDZBQOSA-N 456.541 2.350 30 10 JEEE C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@H]1CCCc2cccnc21)[C@@H]1CCS(=O)(=O)C1 1507624586 BWHXDEXHBZFGFD-CEWLAPEOSA-N 487.626 2.144 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@H](c1ccc(CC)cc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1507630677 FHORWWYAGKSIFU-XZOQPEGZSA-N 495.653 2.171 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1Cc1nc(C)cs1)[C@@H]1CCS(=O)(=O)C1 1507632758 AMINIOWRCWFCST-GOSISDBHSA-N 459.572 2.448 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1Cc1nccn1C(F)F)[C@@H]1CCS(=O)(=O)C1 1507635732 ZCGVNRZEKDILRW-MRXNPFEDSA-N 478.500 2.275 30 10 JEEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1C[C@H](CC(C)C)NC(=O)OCC 1507652799 LHNQVPSOQCGQGV-KRWDZBQOSA-N 454.531 2.239 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)[C@@H](C)[C@H](C)O2 1507710524 HPTZWPAEUUMQJU-JENIJYKNSA-N 458.584 2.199 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 1507719964 QXIVMXQNCSHOLW-NHCUHLMSSA-N 490.649 2.404 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3CC)n2CCC2(O)CCOCC2)CC1 1507732843 UPNUPSXRTGWACV-UHFFFAOYSA-N 453.587 2.106 30 10 JEEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1507743520 DTHGVPKDFJKOGU-UHFFFAOYSA-N 475.663 2.291 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1CC1(O)CCN(C(C)C)CC1 1507769483 IHRJIJHKKKDCIP-HSZRJFAPSA-N 470.643 2.497 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 1507781521 BBEQSRRGYMLIIJ-AWEZNQCLSA-N 476.335 2.373 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(N(C)C)cc1 1507820600 IIMJZBUSQCGQHU-OAQYLSRUSA-N 476.647 2.322 30 10 JEEE C=CCCOCCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@]2(CNC(=O)C2)C1 1507958093 OOEAWKYSTUWCMG-FQEVSTJZSA-N 463.380 2.355 30 10 JEEE C=CCn1c(COc2ccccc2OCC)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1508070807 IIOWWELRJGMPMH-UHFFFAOYSA-N 456.547 2.016 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CCc2nc(O)c(C#N)cc2C1 1508095572 XZMKIUMYQAEIFE-UHFFFAOYSA-N 473.537 2.257 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(Cc2cscn2)CC1 1508136642 VIYQMTPOSAFTAX-UHFFFAOYSA-N 494.046 2.373 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1508142844 HHGUKJSSQIYYQS-UHFFFAOYSA-N 466.652 2.195 30 10 JEEE CC(C)N1CCC[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(S(C)(=O)=O)CC2)C1 1509553810 DZDZUKMKEKWETG-HXUWFJFHSA-N 471.631 2.019 30 10 JEEE C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)[C@@H](C)CC#N)n1C[C@]1(O)CCS(=O)(=O)C1 1510255740 HRAUGQQVOWJKRX-AUSJPIAWSA-N 467.979 2.359 30 10 JEEE CCC(O)(CC)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2cnccn2)CC1 1513527880 HWNKCIFXLXMVBO-UHFFFAOYSA-N 462.558 2.396 30 10 JEEE CCO[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN(C)S(=O)(=O)CC)C1 1516404631 ALAPGGYISQQGNV-HXUWFJFHSA-N 460.604 2.494 30 10 JEEE COc1ccc(CC(=O)N(C)[C@@H](C)c2cccc(C#N)c2)cc1S(=O)(=O)N1CCOCC1 1526207760 CAJURROWFCNOFH-KRWDZBQOSA-N 457.552 2.350 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3noc4c3COCC4)n2C[C@@](C)(O)C(C)C)c1 1539040156 NSTBANFTJCCDTA-RUZDIDTESA-N 478.553 2.469 30 10 JEEE C#CCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1539103106 NVGWZNWFUDTTQJ-UHFFFAOYSA-N 458.925 2.078 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H](C)Oc1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 1539225433 OCOPCPSOGRNZMT-CTNGQTDRSA-N 495.605 2.367 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCCN1CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1539231793 WMUXIOKVIFCNMS-PCCBWWKXSA-N 463.648 2.268 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@]1(O)CCS(=O)(=O)C1 1539238911 DTOQEGROPARJNT-WZONZLPQSA-N 491.013 2.311 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H]1CCCS(=O)(=O)C1 1539319910 KVFRWCOKVDAUSX-GOSISDBHSA-N 454.552 2.004 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H](CC)NC(=O)OC(C)(C)C)CC1 1539431531 UYVVWFWJSMCRTQ-NBGIEHNGSA-N 490.649 2.377 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCN2CCCC2)CC1 1539447365 QZCRIQIHPJJAOH-NRFANRHFSA-N 471.650 2.244 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCc2ccccc2F)CC1 1539469071 NPZYBWMPZWLKPI-RUZDIDTESA-N 469.561 2.278 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CC(=O)Nc2ccc(F)cc2)CC1 1539476008 QKPRIXHJQKQDRJ-UHFFFAOYSA-N 461.501 2.084 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)ccc3C)n2CCCN2CCOC2=O)CC1 1539488507 KWFXKICSIUTEBQ-UHFFFAOYSA-N 494.596 2.282 30 10 JEEE C#CCSCCn1c(-c2ccccc2F)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1539505163 HYBCXXIGIYUHQL-SFHVURJKSA-N 458.607 2.487 30 10 JEEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(CC(F)(F)F)CC1 1539526485 PEVAEHMYBJXEPG-UHFFFAOYSA-N 472.562 2.320 30 10 JEEE C#CCSCCn1c(N2CCC(C(=O)N(C)C(C)C)CC2)nnc1[C@@]1(OCC)CCOC1 1539530043 AFXZSOYCLHVTGZ-HSZRJFAPSA-N 463.648 2.380 30 10 JEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)c2cc(C)oc2C)CC1 1539744554 PSCZZQVYOPTQJM-HXUWFJFHSA-N 470.574 2.431 30 10 JEEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN(C(C)C)CC1 1540869933 AUVQMDMZNOPBES-UHFFFAOYSA-N 475.638 2.225 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCCN(c2ncccc2F)CC1 1540900632 BVPPHOQQSANZEE-UHFFFAOYSA-N 471.562 2.192 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 1540902621 NBHNMNKDQKVOLK-HXUWFJFHSA-N 479.647 2.492 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1540909174 ZZOXUSKTZLUATE-MJGOQNOKSA-N 463.579 2.270 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1Cc1nccs1 1541928618 DOOOYDORDDKEOC-OAHLLOKOSA-N 487.611 2.313 30 10 JEEE CCO[C@@]1(c2nnc(N(C)Cc3ccc(C#N)cc3)n2CC2CCS(=O)(=O)CC2)CCOC1 1547861347 GKOTWIJURVUCSN-QHCPKHFHSA-N 473.599 2.263 30 10 JEEE CNC(=O)[C@H]1CN(C(=O)c2cnn(C)c2)CC12CCN(c1ccc(C#N)c(C(F)(F)F)c1)CC2 1548375203 CXXVAZRWHKDMDQ-LJQANCHMSA-N 474.487 2.415 30 10 JEEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2ccc(C)o2)n1CC(=O)N1CCOCC1 1555544376 CVROESJHGUEKGY-UHFFFAOYSA-N 464.526 2.230 30 10 JEEE C#C[C@@H](NS(=O)(=O)c1ccc(S(=O)(=O)NC)c(C)c1)c1ccc(Br)cc1 1561601581 QYMLJWSBQASKDD-MRXNPFEDSA-N 457.371 2.318 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@H](c2ccco2)N(C)C)c1 1587693156 PVUYXFZKOCOENF-WOJBJXKFSA-N 475.553 2.181 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CCNC(=O)c1ccco1)[C@H]1CCS(=O)(=O)C1 1588039654 BPODWVQDWNKZTL-FQEVSTJZSA-N 481.578 2.157 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCCOC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1588045048 GEDBRXLQLDLVJG-OAQYLSRUSA-N 483.594 2.029 30 10 JEEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](c1cccs1)N1CCCC1 1588265504 BTHANNJUPWWMAP-SJORKVTESA-N 450.634 2.246 30 10 JEEE C=C(Br)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1589444022 ZNOMRRPWPYJTRF-HXUWFJFHSA-N 457.332 2.496 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CCC(=O)N2)n1CCN1CCN(Cc2ccccc2)CC1 1589652264 RAXPZJGOPZRIIL-QFIPXVFZSA-N 451.619 2.449 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCS(=O)(=O)NC 1589658377 ZRAWMOKIDXJHOP-QGZVFWFLSA-N 470.640 2.344 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2(OC)CCC(C)CC2)CC1 1594097756 YCCGZIKUJSSKSG-OZWAEMERSA-N 467.636 2.363 30 10 JEEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2csc(C(C)(C)C)n2)CC1 1595319301 KPSOQPYWOVZPSC-HNNXBMFYSA-N 467.665 2.151 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2ccc(OC)c(F)c2)C1 1595722909 OTQKMQIXUMCDRX-ZWKOTPCHSA-N 464.563 2.352 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CC(=O)N(C)[C@H](C)C1 1595773136 RHJGJDFUURRHSV-CYBMUJFWSA-N 455.943 2.005 30 10 JEEE CC(=O)N1CCCN([C@@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCC(C)(C)O)C[C@H]2C)CC1 1596136102 QLOAXQZWXXXXQH-AUSIDOKSSA-N 479.629 2.357 30 10 JEEE COCCN(C)c1nnc(COc2ccc(C#N)cc2)n1CCc1nnc2n1CCCCC2 1619871457 CMMNYJIEEUKGBC-UHFFFAOYSA-N 450.547 2.372 30 10 JEEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1[nH]n(-c2nc(C)cc(C)n2)c(=O)c1CCO 1640487964 SFRBEGZBRNMEJO-UHFFFAOYSA-N 453.547 2.103 30 10 JEEE C#Cc1ccc(NC(=O)CCN2CCS(=O)(=NS(=O)(=O)c3ccc(C)cc3)CC2)cc1 1643296589 UHTDPOVGVVYJCW-UHFFFAOYSA-N 459.593 2.477 30 10 JEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@H](C(=O)Nc3ccccc3OC)C2)c1 1646111468 HZABLOJETXBQNM-SFHVURJKSA-N 455.536 2.098 30 10 JEEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)c1cccc(CC(=O)OC)c1 1664194748 WDALBTXJXBHPLB-UHFFFAOYSA-N 450.557 2.426 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1OCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1689982204 JIRYPMXLTKJRJS-NQIIRXRSSA-N 488.610 2.404 30 10 JEEE C#CCN(c1nnc(COCC)n1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1 1689996759 NWDMUCKNMIADAM-MOPGFXCFSA-N 495.646 2.088 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CCCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1689997255 YXCSIWDRIRPSMV-NRFANRHFSA-N 471.627 2.278 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)CCNS(C)(=O)=O 1690239576 YNEGUGUWJJPYBC-BBRMVZONSA-N 487.424 2.002 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1690246591 VWDMKAUMZNHCHK-AQNXPRMDSA-N 495.646 2.076 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1690246592 VWDMKAUMZNHCHK-UFYCRDLUSA-N 495.646 2.076 30 10 JEEE C=C(Cl)Cn1c(COc2ccccc2OC)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1690354010 BFYNJYSWQQHLAM-IBGZPJMESA-N 461.950 2.446 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1690677844 CBVWZLDLUYWPDP-RCLSDMTESA-N 462.639 2.044 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CC(=O)NCC(F)(F)F)C1 1690692459 YPYCVPJUYRXWSN-AWEZNQCLSA-N 453.421 2.134 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@@H](C(C)C)C1 1690720029 YHJSLHZWUNLGOG-HXUWFJFHSA-N 464.588 2.424 30 10 JEEE C=CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)[C@H](C)CS(C)(=O)=O 1690742087 GBJOSTLLGHZKAQ-CQSZACIVSA-N 462.601 2.382 30 10 JEEE CCNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC2(CC1)COC(=O)N2 1695907616 IFNAIKYEKGXEHN-UHFFFAOYSA-N 451.531 2.058 30 10 JEEE CN(C)[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(N)=O)C1)c1ccco1 1696601624 GFGJPRMHIBESBO-QUCCMNQESA-N 463.542 2.326 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCC[C@H](O)C1)[C@@H]1CCS(=O)(=O)C1 1705561965 WHAZOZIOYBPWIO-AHRSYUTCSA-N 473.555 2.031 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1705562833 LMMFOFRPPUALHS-HKUYNNGSSA-N 474.583 2.158 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC2([S@](C)=O)CC2)CC1 1705652965 UINPDBISWPUDGV-OKZYMOFSSA-N 475.659 2.074 30 10 JEEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1705657469 FVWDXFNQILTLDM-UHFFFAOYSA-N 482.635 2.359 30 10 JEEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1705658779 ATXGYBHRKHPZPK-GOSISDBHSA-N 459.583 2.392 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCN(C(=O)N(CC)CC)CC1 1705906446 FJHHVQQZFQSGKX-UHFFFAOYSA-N 483.617 2.360 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1705936727 XCYNTDIALSXNGH-SOUVJXGZSA-N 452.499 2.277 30 10 JEEE Cc1n[nH]cc1CCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccccc2C#N)CC1 1706997520 BZBUZTOLLQNBMQ-UHFFFAOYSA-N 461.574 2.279 30 10 JEEE Cc1c(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CCN2CCOC(C)(C)C2)cnn1C 1707031209 GCORFGCCZHRNGN-UHFFFAOYSA-N 478.601 2.366 30 10 JEEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1722310228 JGOUFQMQSHQQBM-UHFFFAOYSA-N 493.655 2.060 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(C)nn1C 1722423282 YUTJHIWJKCERCS-GOSISDBHSA-N 456.547 2.049 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(Cc2ccc(F)cc2)CC1 1722459280 HEWGQBLUAFRFQE-HXUWFJFHSA-N 491.658 2.398 30 10 JEEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H](N2CCCC2=O)C1 1722607366 UXIZEJQDLOWNJW-IBGZPJMESA-N 472.615 2.363 30 10 JEEE C=CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1CCCCS1(=O)=O 1722631023 AMXOYEQAQVIDOH-QGZVFWFLSA-N 451.980 2.451 30 10 JEEE C=CCN(CCOC)c1nnc(-c2cnn(C)c2)n1C[C@@H]1C[C@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1722678153 UNUBSDXORKQULQ-YSIASYRMSA-N 487.605 2.342 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(CC2CC2)CC1 1722724808 GMNITHKDFBYUGR-UHFFFAOYSA-N 486.642 2.280 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCN(c2ccccc2C)CC1 1722729606 QSMSOWHVJNGOBX-UHFFFAOYSA-N 466.611 2.500 30 10 JEEE CC(=O)N1CCC[C@H](Cn2c(N3CCN(c4ncccc4C#N)CC3)nnc2C(C)(C)C)C1 1722767686 JIXLQZBQAVPNDM-IBGZPJMESA-N 450.591 2.427 30 10 JEEE C#CCCCCn1c(-c2cnccn2)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 1740572075 ZLJMJAKASYAZCI-UHFFFAOYSA-N 464.618 2.356 30 10 JEEE C#CCCCn1c(N2CCN(Cc3c(C)nn(C)c3C)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1740597513 UYIPLQFNZBWOLH-RUZDIDTESA-N 469.634 2.405 30 10 JEEE C#CCN(c1nnc(-c2ccc(Br)s2)n1CCOC)[C@@H]1CCS(=O)(=O)C1 1740618865 KZZUHESXXKLITD-GFCCVEGCSA-N 459.391 2.042 30 10 JEEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1CC1(C)CCOCC1)[C@H]1CCS(=O)(=O)C1 1740628891 VZVNWIQNNAPEFR-IBGZPJMESA-N 488.610 2.309 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccc(OC)c(F)c2)CC1 1740703183 IXCQMPDAFFBFPF-RUZDIDTESA-N 485.560 2.092 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ccc(OC)cc2OC)CC1 1740824750 BHSNKBCRXIBKJD-NRFANRHFSA-N 491.614 2.027 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@]2(C)CCCS2)CC1 1740838880 ANBHXALYWMCKEP-FXAWDEMLSA-N 455.650 2.299 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@H](C#N)C1 1740987072 OQPQJPDJTGJVDW-CRAIPNDOSA-N 465.963 2.401 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CCO[C@H](C(F)(F)F)C1 1740994512 RWHQYVFZAUHCDF-INIZCTEOSA-N 478.468 2.365 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCO[C@@H](c3nnc(C(C)C)o3)C2)nnc1C(C)(C)C 1740995151 BORBXGWDBAGXHP-OAHLLOKOSA-N 452.581 2.261 30 10 JEEE C=CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN2CCOC[C@H]2C1 1740997510 VFOOHUYKWYSDSW-OAHLLOKOSA-N 453.410 2.476 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](c1c(F)cccc1F)N(C)C 1741123892 BPSBOUAPBPFWSQ-KEYYUXOJSA-N 469.562 2.065 30 10 JEEE C[C@H]1COCCN1CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(CCC#N)CC1CC1 1743361294 ABTAXCXSJFZIBO-SFHVURJKSA-N 472.615 2.199 30 10 JEEE CCO[C@H](CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1)C(C)C 1746638003 AITLFUFMAOEJSB-PZJWPPBQSA-N 467.574 2.394 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1748646512 AGGCBQJPMJOLKX-UWUFEASWSA-N 453.587 2.003 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@]1(N(C)C)CCSC1 1748666171 ZOESNWSDBFEVRZ-HRAATJIYSA-N 461.661 2.133 30 10 JEEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccncc1Cl)[C@H]1CCS(=O)(=O)C1 1748804453 IAGROGQNZKVXHR-PGRDOPGGSA-N 494.017 2.042 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC1CC1)[C@H]1CCS(=O)(=O)C1 1748807967 FHLSUBBYSHZFIA-KRWDZBQOSA-N 460.556 2.008 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2ccncc2)n1C[C@@H]1C[C@@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1748852557 GXITYBUZQZAZKM-FSSWDIPSSA-N 476.581 2.361 30 10 JEEE C#CCN(CC)c1nnc(Cc2cn3ccccc3n2)n1CC1(NC(=O)OC(C)(C)C)COC1 1748931074 KIRGTVFAQBTNJA-UHFFFAOYSA-N 465.558 2.270 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)Nc2ccccn2)n1CCCS(C)(=O)=O 1748941099 XCRFMUKIHVBAIH-UHFFFAOYSA-N 470.530 2.139 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCSC 1748964178 HDVHTMTXFHRCHZ-KRWDZBQOSA-N 453.609 2.426 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC2(C(=O)NCC)CCC2)CC1 1748977742 BBZRFTFFPMMSBA-UHFFFAOYSA-N 474.407 2.097 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1749143728 LIPGDRCLFCVZQU-KSZLIROESA-N 456.657 2.179 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1749660431 OZNMHIPJBNDVGO-OSPHWJPCSA-N 471.558 2.039 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1749738432 MRKREEFOGYZTTP-SFHVURJKSA-N 453.609 2.327 30 10 JEEE C=CCSCCn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1749752670 YOARVSWZUREZBG-UHFFFAOYSA-N 457.604 2.142 30 10 JEEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1749756188 ULOVWTCFLKHLGB-HXUWFJFHSA-N 462.664 2.226 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1CCCN1CCC[C@H]1C(=O)N(C)C 1760106771 GQAGEQTZLMKKRL-HKUYNNGSSA-N 452.559 2.074 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCN(C)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1760186217 BLRPSICVMFBOSZ-ZWKOTPCHSA-N 481.619 2.013 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1cccc(C(OC)OC)c1)[C@H]1CCS(=O)(=O)C1 1760188933 RIXWFDGDJUXHNQ-SFTDATJTSA-N 488.610 2.139 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1CCN(C)Cc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1760190636 SRORVPSQLWDLIY-NRFANRHFSA-N 459.591 2.128 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCN1CCCC1 1760203466 FVYDYCMWRXWZOX-HXUWFJFHSA-N 456.591 2.145 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1CCN1CCN(C)C(C)(C)C1 1760479708 XRZNWGPBWURVQP-QFIPXVFZSA-N 476.629 2.319 30 10 JEEE CC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1)OC 1762343515 HQBNRBWVUBGXJF-FQEVSTJZSA-N 460.604 2.492 30 10 JEEE CC1CCN([C@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@H](C(N)=O)C2)CC1 1762948240 FGRLCMFOFRZUGY-QUCCMNQESA-N 451.575 2.161 30 10 JEEE COc1cc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H](C)CN2CCCC2)cc(OC)c1OC 1769826839 DUWBMGOPAKGBCS-IEBWSBKVSA-N 470.574 2.432 30 10 JEEE CS(=O)(=O)N1CCC(C(=O)Nc2ccc3c(c2)N(C(=O)c2cccc(C#N)c2)CCO3)CC1 1858453129 KYWDYHMUNZRPRC-UHFFFAOYSA-N 468.535 2.208 30 10 JEEE O=C(C1=C(O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccc(O)c([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1 1862758660 CFMFMPQPFLMNFK-HXUWFJFHSA-N 498.448 2.119 30 10 JEEE C=CCOc1ccccc1[C@H]1C(C(=O)N2CCN(CC)CC2)=C(N)Oc2c1c(CC)nn2C 1865225865 QPVIVOQXCDZXRI-HXUWFJFHSA-N 451.571 2.406 30 10 JEEE CCOC(=O)Oc1ccc(C(=O)Nc2c(C#N)nnn2-c2ccc3c(c2)C(=O)N(C)C3=O)cc1 1870136717 GYZLELLOBBUCEY-UHFFFAOYSA-N 460.406 2.152 30 10 JEEE C=CCn1cc(OCC(=O)Nc2ccc(C(C)=O)cc2)c(=O)cc1CSc1nnnn1C 1870248810 BYGOWELHCDBKNN-UHFFFAOYSA-N 454.512 2.070 30 10 JEEE C=CCN=c1nc(N2CCN(C(C)=O)CC2)[nH]c(=Nc2ccc(Cl)c(C(F)(F)F)c2)[nH]1 1871593992 OPRBEDJCIMGNHT-UHFFFAOYSA-N 455.872 2.398 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)COc2nonc2CC(=O)NCc2cccc(C)c2)nc1C 1872649247 QMLULJZHZPBTKA-UHFFFAOYSA-N 485.522 2.362 30 10 JEEE C=CCn1c(C(=O)N2CCN(C)CC2)cc2c(N3CCN(Cc4ccccc4)CC3)ncnc21 1873562988 CJHRHRCOCDKSSX-UHFFFAOYSA-N 459.598 2.327 30 10 JEEE COc1cc(/C=N/n2c(S)nnc2CNC(C)=O)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 1874558951 JTHMRTLKHKZVJS-LSHDLFTRSA-N 470.467 2.221 30 10 JEEE C=C[C@@]1(O)CCN(C(=O)c2cc(I)cc(I)c2O)C1 1881934556 HKOXMYFRSFRGDW-CYBMUJFWSA-N 485.059 2.364 30 10 JEEE CC(C)N1C(=O)CS[C@H](C(=O)N[C@H]2CCN(C3CCOCC3)C2)[C@H]1c1ccc(C#N)cc1 1891926030 QREBUTLBZLAZGY-PMOQBDJRSA-N 456.612 2.321 30 10 JEEE N#Cc1nccnc1OCC1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)CC1 1891999388 MSGNPKMRINXAQH-GOSISDBHSA-N 487.557 2.206 30 10 JEEE CC(C)N1C(=O)CS[C@H](C(=O)N2CC[C@H](Oc3cnsn3)C2)[C@H]1c1ccc(C#N)cc1 1892155271 UROMYZFGDMBIQL-DBVUQKKJSA-N 457.581 2.483 30 10 JEEE N#CC#Cc1ccc(NC(=O)CCCNC(=O)CCCC[C@H]2SC[C@H]3NC(=O)N[C@H]32)cc1 2079467632 IBQNQQRHZDWGOS-WOIUINJBSA-N 453.568 2.122 30 10 JEEE C[C@@H](CO)N(Cc1ccccc1)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2247904952 QTYHQMLSTIQVOG-HNNXBMFYSA-N 452.407 2.155 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@H]1NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2247952995 RAWPSLZAQNKCJL-TZMCWYRMSA-N 458.411 2.239 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H]1CNS(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2255753911 TXGXOXUVJIEBIZ-INIZCTEOSA-N 452.382 2.274 30 10 JEEE CC1(C)OB(c2sccc2CS(=O)(=O)N(OCc2ccccc2)C2CNC2)OC1(C)C 2255803873 VQUXYWXWYWMDMD-UHFFFAOYSA-N 464.418 2.283 30 10 JEEE C=C(CS(=O)(=O)N1CC[C@]2(CN(C(=O)OC(C)(C)C)CCO2)C1)B1OC(C)(C)C(C)(C)O1 2267466822 HXWOXSWUPBISAM-NRFANRHFSA-N 472.413 2.216 30 10 JEEE CC1(C)OB(c2scnc2C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)OC1(C)C 2267475041 FGDYLEAQOIXBOV-SFHVURJKSA-N 457.405 2.463 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](CNC(=O)c2occc2B2OC(C)(C)C(C)(C)O2)CO1 2267496737 CWSHJLIHCHHRAS-GJZGRUSLSA-N 450.341 2.238 30 10 JEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1c(C)nsc1B1OC(C)(C)C(C)(C)O1 2267529547 MRVNDOFNDXHYTK-ZIAGYGMSSA-N 467.397 2.115 30 10 JEEE Cc1c(B2OC(C)(C)C(C)(C)O2)csc1C(=O)N1C[C@H](O)C[C@@H]1CNC(=O)OC(C)(C)C 2267575916 HTGPTCYHRHNLEK-HUUCEWRRSA-N 466.409 2.456 30 10 JEEE COc1ccc(NC(=O)[C@@H](O)[C@H](C)NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2268633329 BMQBMRVOUSXDGW-GUYCJALGSA-N 450.341 2.207 30 10 JEEE CC(C)(C)OC(=O)N[C@]1(C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)CCCOC1 2268642454 GEWNMGLVNUOBIE-OAQYLSRUSA-N 467.397 2.132 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)[C@H](NC(=O)c1cc(B3OC(C)(C)C(C)(C)O3)n[nH]1)C2 2281984925 GWAHWRMFPJCPEA-HRCADAONSA-N 460.384 2.474 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@H]1CN(CCO)C(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2282024547 CLQYKAGEQWPFHA-HNNXBMFYSA-N 481.424 2.276 30 10 JEEE CO[C@H]1C[C@H](CNC(=O)OC(C)(C)C)N(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2282176618 VKOSUOICQAHZGQ-SJORKVTESA-N 461.368 2.135 30 10 JEEE Cn1cc(C(=O)N2C[C@@H]3CCC[C@]3(NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2282583223 HDRAKGUXUIYXNB-WNSKOXEYSA-N 460.384 2.239 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1[C@@H]2[C@@H]1CCCN2C(=O)OC(C)(C)C 2282590261 YSGFYUGTLUSLBX-OIISXLGYSA-N 460.384 2.330 30 10 JEEE C[C@H]1CN(C(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)[C@H](C)[C@@H](C)N1Cc1ccccc1 2282621607 UTIBBJCUYJVEKC-RCCFBDPRSA-N 453.396 2.238 30 10 JEEE CC(C)(C)OC(=O)N1CC2(CCCN(C(=O)c3ncc(B4OC(C)(C)C(C)(C)O4)cn3)C2)C1 2282626906 FIPXJXBIJSWRQG-UHFFFAOYSA-N 458.368 2.249 30 10 JEEE CO[C@@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2O)C[C@H]1NC(=O)OC(C)(C)C 2282986350 PEVREADSDNWALK-SJLPKXTDSA-N 462.352 2.056 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CC(C(=O)NCc2ccccc2B2OC(C)(C)C(C)(C)O2)=C[C@@H]1O 2284055815 ZROLBVADXRPZKC-MOPGFXCFSA-N 458.364 2.186 30 10 JEEE CC1(C)OB(c2csc(S(=O)(=O)N[C@H](CCO)COCc3ccccc3)c2)OC1(C)C 2320504018 TUFXJUMXGGMJCP-GOSISDBHSA-N 467.418 2.293 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2334266865 DRIDWGKOXFYILL-JCGIZDLHSA-N 464.393 2.272 30 10 JEEE C=CCn1c(=O)c2ccccc2n2c(S[C@H](C)C(=O)NC(=O)NCC(F)(F)F)nnc12 24233068 AMALWHMXKWIBRT-SNVBAGLBSA-N 454.434 2.099 30 10 JEEE CCOC(=O)c1cccc(N2CC(=O)C(c3nc4cc(N5CCN(C)CC5)ccc4[nH]3)=C2N)c1 170178836 UCTJVRZQAPUVEL-UHFFFAOYSA-N 460.538 2.208 30 10 JEEE C=CCN1C(=O)C(=NNC(=S)Nc2ccc(C)cc2)c2cc(S(=O)(=O)N3CCOCC3)ccc21 254622798 FTSKHKREQHNDOA-UHFFFAOYSA-N 499.618 2.239 30 10 JEEE COc1cc(/C=N/Nc2nc3c(c(=O)n(Cc4ccc(Cl)cc4)c(=O)n3C)n2C)ccc1O 606629673 CSEOJCILLQKWJI-BHGWPJFGSA-N 468.901 2.296 30 10 JEEE Cc1ccc(C(=O)N2CCC(NC(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)CC2)cc1 609001914 SJOIHSWVYRJYPA-UHFFFAOYSA-N 495.605 2.187 30 10 JEEE C[C@H](c1cccs1)n1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cnn3ccccc23)c1=O 729672628 YSRJNLQTMZMUIJ-CQSZACIVSA-N 461.572 2.010 30 10 JEEE C#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)O 757271492 HBMHZCKGOUCVFC-XZOQPEGZSA-N 472.501 2.452 30 10 JEEE CC(C)[C@@](C)(O)C[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 1078928959 YXPVYQIMXPYFSF-RHIQEKETSA-N 494.669 2.100 30 10 JEEE N#Cc1cnn2c(O)cc(CN3CCC(C(=O)Nc4ccc(Br)cn4)CC3)nc12 1192090288 DBDKZFURFFYTLD-UHFFFAOYSA-N 456.304 2.315 30 10 JEEE CCC[C@H]1CN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)CCN1Cc1ccccc1 1192514535 HEQYMEAJLSDEEW-QFIPXVFZSA-N 450.587 2.490 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Cl)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1286301939 QAEQAFNYJJEDJF-NVXWUHKLSA-N 451.980 2.392 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@]1(O)CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1286381303 FYGABPJDUYFELN-XWFZLUIHSA-N 473.555 2.031 30 10 JEEE C#CCN(c1nnc(CC)n1C[C@H](C1CC1)N(C)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1286395632 RZLYDYPRWURBAA-FGZHOGPDSA-N 455.628 2.378 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC2(C(=O)N(C)C)CCCC2)CC1 1286475084 WSSFZQAJJOCWLC-UHFFFAOYSA-N 480.613 2.366 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1286541980 PHQFNOXGOYFORL-OAHLLOKOSA-N 486.436 2.070 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCOC2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1286554906 IXMXHUPJCTXULP-QZWWFDLISA-N 457.497 2.268 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(S(C)(=O)=O)CC1 1286558696 QOFLGBLIFUKBCC-HRAATJIYSA-N 481.569 2.210 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCCN(C(=O)C(C)C)CC1 1286779793 MQYKDMUBWCGGKR-UHFFFAOYSA-N 476.585 2.332 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1286789328 DAGLXGOUKKPZOY-UHFFFAOYSA-N 481.601 2.114 30 10 JEEE C=CCNC(=O)Cn1c(N2CCO[C@H](c3cccc(OC)c3)C2)nnc1[C@]1(OC(C)C)CCOC1 1286794173 YQJRECZIGJFWIZ-OFVILXPXSA-N 485.585 2.207 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CN(CC(C)C)CCO2)C1 1286811174 AILKVMQHAKZONZ-FGZHOGPDSA-N 457.623 2.278 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1286819276 FZMNAPVBCNBSAA-AVRDEDQJSA-N 461.588 2.024 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1286820166 GHOCWVOTDJRXFD-KRWDZBQOSA-N 469.608 2.178 30 10 JEEE C=CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1286825157 HIRWLSIGBOXJLP-UHFFFAOYSA-N 481.644 2.353 30 10 JEEE Cc1cccc(N2CCN(Cc3ccc(NC(=O)Cn4cc(C#N)c(O)nc4=O)cc3)CC2)c1 1290866775 ATZUFMKJQQEWNC-UHFFFAOYSA-N 458.522 2.090 30 10 JEEE CC[C@H](C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC1(CS(C)(=O)=O)CC1 1291604888 GGNWGSXZTADMBN-KRWDZBQOSA-N 457.604 2.210 30 10 JEEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC(NC(=O)Oc2ccccc2)CC1 1292743231 AKRHAAFTBLKRLW-INIZCTEOSA-N 456.524 2.005 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1CCC(=O)N1CCOCC1 1300282986 RMLSLBJVLVVXLW-ZDUSSCGKSA-N 452.378 2.476 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@H]1CCCSC1)[C@@H]1CCS(=O)(=O)C1 1300500899 FTXYDFAMCLAOHZ-SJLPKXTDSA-N 465.670 2.404 30 10 JEEE C#CCN(CC#CC)c1nnc(COc2cc(C)cc(C)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1300590626 CIXJWKSPMDHUMF-OCOZRVBESA-N 472.549 2.463 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2CCOc2ncccc2F)CC1 1300710186 VTVAYOMFWSMUJO-UHFFFAOYSA-N 454.481 2.365 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C2CCN(c3ncccn3)CC2)n1CCCN(C)CCOC 1300801627 AZTXCJRSVABDQA-RUZDIDTESA-N 466.634 2.413 30 10 JEEE C=C(Br)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(C(C)=O)CC1 1300843881 HJOIBQYNBWTODM-UHFFFAOYSA-N 486.374 2.252 30 10 JEEE COCC1(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCO[C@H](C#N)C2)CCOCC1 1301124224 FIZSNJDYPPWTEY-OAHLLOKOSA-N 465.352 2.208 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CCC2(CC1)CNC(=O)C2 1301518457 GZDXSZCGAKNTDX-UHFFFAOYSA-N 454.600 2.288 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N(C)Cc1ccc2c(c1)OCCO2 1301587037 LKODNGVZTGJXFG-UHFFFAOYSA-N 469.567 2.272 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N(C)[C@H]1CCN(Cc2ccccc2)C1 1301589639 VCDGSNWVUYRNMD-YADHBBJMSA-N 473.643 2.484 30 10 JEEE CC[C@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1305626358 BUKPHBQROOEBDV-LPHOPBHVSA-N 458.588 2.135 30 10 JEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(c2cc(OC)cc(OC)c2)CC1 1358929542 CBTUBXGKYGNBDA-LJQANCHMSA-N 487.626 2.328 30 10 JEEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(Cl)cc1F)[C@H]1CCS(=O)(=O)C1 1358957208 RCHLKZRCTKDEEN-PGRDOPGGSA-N 496.992 2.398 30 10 JEEE C#CCN(c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCOCCCO)[C@H]1CCS(=O)(=O)C1 1358958686 UCRVXYMMGZUOIA-HKUYNNGSSA-N 492.667 2.157 30 10 JEEE C#CCN(c1nnc(C2CC2)n1CC1CCN(CC(F)(F)F)CC1)[C@@H]1CCS(=O)(=O)C1 1358961671 CXYWRCLWBMSZLH-QGZVFWFLSA-N 459.538 2.057 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H]1CCCCN1CCC)[C@@H]1CCS(=O)(=O)C1 1358964822 HYQCXTPCWZYUHO-FCHUYYIVSA-N 470.643 2.155 30 10 JEEE C#CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1358967181 FROLNCPPUMWMDU-QLFBSQMISA-N 491.536 2.238 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1359016934 PNMDOJOLIHVCBV-QCLNCQLRSA-N 464.501 2.087 30 10 JEEE C=CCn1c(COc2ccccc2OCC)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1359289772 JXJWOHZCKVATKH-PZJWPPBQSA-N 468.602 2.431 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2cc(C)ccc2C)CC1 1359292788 XWCZOHCGXRKRBB-UHFFFAOYSA-N 474.569 2.171 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC(CNC(C)=O)CC1 1359294605 YPIYPODUCPJGDH-UHFFFAOYSA-N 462.501 2.201 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(Cc2csc(CC)n2)CC1 1359298786 LVKYLGICXCMZBF-UHFFFAOYSA-N 466.615 2.292 30 10 JEEE C=CCOc1ccc(Cn2c(N3CCN(C)C(=O)[C@@H]3C)nnc2[C@]2(OCC)CCOC2)cc1 1359308648 UVJYKMIKPJUDNR-UUOWRZLLSA-N 455.559 2.210 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC2(O)CCCC2)C1 1359315466 VNLRKZWXLSTJJG-IBGZPJMESA-N 475.615 2.282 30 10 JEEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1359337594 WKBGORBFMDBFFC-LBPRGKRZSA-N 469.555 2.155 30 10 JEEE CCOC(=O)c1cc2n(n1)C[C@H](C)N(C(=O)N[C@H]1CCCN(c3ccc(C#N)cc3)C1=O)C2 1469762192 FFNCFTZACCHMLA-KXBFYZLASA-N 450.499 2.041 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H]1CCN(CC)C1)[C@H]1CCS(=O)(=O)C1 1507622614 KEHMWRWKSXJPCQ-UNMCSNQZSA-N 498.653 2.116 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1OCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1507630065 YZTKOWUYFMMLJC-SJORKVTESA-N 463.991 2.435 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CCOCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1507633041 AFFVVLAWLWTDHC-JOCHJYFZSA-N 465.579 2.107 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(Br)s2)n1CCC(=O)N1CCOCC1 1507648777 NGDGOFYEPXUMGG-UHFFFAOYSA-N 462.373 2.091 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccc(OC(F)F)c(F)c2)CC1 1507718110 BQTNARRFPHHWPB-HSZRJFAPSA-N 479.503 2.474 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H](c2c(F)cccc2F)N(C)C)CC1 1507733339 UZFHYAQCHMBIDH-ZEYPLWLESA-N 488.583 2.338 30 10 JEEE C#CCSCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC(CC(N)=O)CC1 1507745623 CPHYMJDBDLEPGH-UHFFFAOYSA-N 489.671 2.005 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccn2C)n1CC(=O)N1CCOCC1 1507999135 XYNVCJRAFJAMRK-UHFFFAOYSA-N 450.543 2.344 30 10 JEEE C=CCn1c(N2CCC[C@H](CNS(C)(=O)=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1508066241 LOVDRXJULLFTFL-ZACQAIPSSA-N 468.624 2.000 30 10 JEEE C=CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@](C)(C(=O)NC)C1 1508150177 HETYCKGXUCGOAR-QFIPXVFZSA-N 492.671 2.077 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@](O)(c1ccccc1)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1539216191 OVTSAPJAEVFZQV-UWJYYQICSA-N 493.511 2.350 30 10 JEEE C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1Cc1ccc2c(c1)C(=O)NCC2 1539420544 HDJMBFIYHHRIOG-UHFFFAOYSA-N 450.568 2.054 30 10 JEEE C=C(Br)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC(=O)N(C)[C@H](C)C1 1539600882 WJGPKQSNCOMEFH-HUUCEWRRSA-N 499.410 2.162 30 10 JEEE C=C(Cl)Cn1c(COc2ccc(OC)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1539821687 SZNSGZZDLURKRY-QGZVFWFLSA-N 460.922 2.091 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCCO1 1540180398 MZHAUGDAOLGBKF-FCHUYYIVSA-N 489.642 2.415 30 10 JEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2cccc(C)c2C)CC1 1540874740 QGUWAVLLFVQXAG-UHFFFAOYSA-N 462.602 2.385 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCOCC)C1 1540891977 CLUKGNKUDITYEZ-ZWKOTPCHSA-N 451.568 2.404 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N(C)[C@@H](C)c1ccc([S@@](C)=O)cc1 1540902862 SJNIMEJDRAORIP-BGVPPVBASA-N 466.629 2.318 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1540905151 TZCUSGGTJAGKPS-UHFFFAOYSA-N 496.659 2.292 30 10 JEEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1540919594 DHPFEWOTWAYODG-LJQANCHMSA-N 479.676 2.063 30 10 JEEE CNC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2F)CCN1c1ccc(C#N)c(C(F)(F)F)c1 1548367648 CBNFLLYXIOWLOL-QGZVFWFLSA-N 470.448 2.342 30 10 JEEE COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCc2cccc(C)n2)CC1 1555198205 HGHBJELHNDLPHR-UHFFFAOYSA-N 459.554 2.448 30 10 JEEE COCC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1555217138 GRPZRXUTRUSQAB-UHFFFAOYSA-N 453.591 2.136 30 10 JEEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H]1CN(Cc2ccccc2)CCCO1 1587921533 ARORMNBJPKSMPH-RCZVLFRGSA-N 453.587 2.291 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1CC1(C(=O)NCC)CCC1)[C@H]1CCS(=O)(=O)C1 1588044731 BLOZRNICIYPEDY-IBGZPJMESA-N 469.611 2.187 30 10 JEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCN1CCC(C)CC1 1588124049 CJRURAQXHQYGJF-UHFFFAOYSA-N 467.643 2.433 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCSCC1 1588233790 QWKBZLSTHCMYSG-HXUWFJFHSA-N 488.658 2.098 30 10 JEEE C#CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1CCC[C@@H]1OC 1588581113 HDTSAILMBHSONC-MOPGFXCFSA-N 474.631 2.448 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](CC)N1CCc2ccccc2C1 1588646109 GTKWTZZXBSQTNJ-XZOQPEGZSA-N 485.654 2.103 30 10 JEEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)c1cc(F)ccc1F 1589070119 QUXZVAYAKMSVAJ-BEFAXECRSA-N 499.609 2.453 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCOC2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1589546848 RUKXHSDHHWCTDB-GIWBLDEGSA-N 474.650 2.144 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](OC)[C@H](OC)C1 1589569494 PIGGXXMMQZXQNJ-MIALQEHNSA-N 461.588 2.101 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ccc(N(C)C)cc2)CC1 1594096722 GFVGWNZACSFGJQ-OAQYLSRUSA-N 474.631 2.076 30 10 JEEE C=CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCN(S(C)(=O)=O)CC1 1594687273 LEMZJMYLMNGNHH-UHFFFAOYSA-N 457.398 2.094 30 10 JEEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCS[C@@H](C)[C@@H]1C 1595545388 WXXLOYFWZYPRNB-IRXDYDNUSA-N 456.620 2.085 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC(NC(=O)Nc2ccc(F)cc2)CC1 1595556144 PEMRDZBPDLIKGW-UHFFFAOYSA-N 492.559 2.496 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](CN2CCCC[C@H]2C)C1 1595752685 DDCNHQAATWTKKV-NHCUHLMSSA-N 492.690 2.206 30 10 JEEE CN(CC(C)(C)CN1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1COCCO1 1617827276 DZQKDPBCLXSWJV-NRFANRHFSA-N 454.575 2.027 30 10 JEEE CC(C)(C)OC(=O)NCC(=O)N1CCC[C@H](CN2CCN(Cc3ccccc3)[C@H](C#N)C2)C1 1621218307 BKQBZPHVXIBLGS-FGZHOGPDSA-N 455.603 2.460 30 10 JEEE N#Cc1ccc(C2=CCN(C(=O)CNS(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)cc1 1632123510 AHSNUVBPMVGUDK-UHFFFAOYSA-N 453.520 2.314 30 10 JEEE CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)c1 1634193575 GIJZIXDIYWERFC-SFTDATJTSA-N 456.568 2.177 30 10 JEEE Cc1nsc(N2CCN(CC(=O)Nc3cc(S(C)(=O)=O)ccc3Cl)CC2)c1C#N 1645948413 DCYSADRKXRZGHZ-UHFFFAOYSA-N 453.977 2.141 30 10 JEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@]2(CCc3ccccc32)C1 1689876502 BIQXJWORPHMCAL-WZONZLPQSA-N 457.600 2.370 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1CCCN1CC)[C@@H]1CCS(=O)(=O)C1 1689981887 CYFBMJRGQBMSAP-VQTJNVASSA-N 487.626 2.073 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@@H]1CCCN1CC)[C@@H]1CCS(=O)(=O)C1 1689993035 ULKXSRAKHOGARS-FCHUYYIVSA-N 455.628 2.288 30 10 JEEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@@H](C1CC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1689993608 HXSWMCYAUKMFAD-YADHBBJMSA-N 455.628 2.030 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H](C)N1CCOCC1 1690017716 KBMUMEIAGYLTAC-NHCUHLMSSA-N 470.618 2.186 30 10 JEEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(N2CCOCC2)CCSC1 1690026881 PMAQWHGAUBSBDV-RUZDIDTESA-N 476.606 2.009 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCOc2cccc(F)c2)CC1 1690411752 TYIHWONJVBIAKS-HXUWFJFHSA-N 479.578 2.232 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)Cc2ccccc2C)CC1 1690664432 SEDYBVIXYHMQCA-UHFFFAOYSA-N 462.554 2.348 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1690665558 HYRPBVPNXSGBPX-LJQANCHMSA-N 498.628 2.344 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1690675784 FIFBIRODFIYFGC-RUZDIDTESA-N 469.586 2.496 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCC(Oc2ncccc2F)CC1 1690726676 IOGQLHUOQKOVJB-UHFFFAOYSA-N 486.573 2.447 30 10 JEEE C=CCSCCn1c(N2CCN(C(=O)COC)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1690752948 VYYPAFIPQJNJPL-HDICACEKSA-N 494.662 2.263 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CC[C@H](F)C2)c1 1705503700 BYUKJKOOXRAQMH-JQHSSLGASA-N 476.578 2.083 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1CCCN(C)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1705563867 HEVJTFZXJCLEPK-HSZRJFAPSA-N 478.622 2.489 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1Cc1ccc2c(c1)OCCCO2)[C@H]1CCS(=O)(=O)C1 1705569539 DWGNDZHGLTWRJO-IBGZPJMESA-N 458.584 2.313 30 10 JEEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@]1(N(C)C)CCSC1 1705574465 DWFLLMBMDXNONK-HSZRJFAPSA-N 485.683 2.057 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccnc2)n1C[C@@H]1C[C@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1705579880 XHNBLUCFUQAXNC-ACRUOGEOSA-N 462.554 2.437 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(Br)ccc1OC 1705588610 HJQYRKXMJNNJSQ-OAHLLOKOSA-N 494.415 2.171 30 10 JEEE C#CCN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CCCS(=O)(=O)C1 1705618309 BGSNFEPCKVAXIQ-KURKYZTESA-N 465.620 2.333 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H]1CCOC[C@H]1OC 1705621027 OLEZFKKYILOBHQ-TZIWHRDSSA-N 455.559 2.285 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2CC2(NC(=O)OC(C)(C)C)COC2)CC1 1705636779 XNJQOLNGCLPGMC-UHFFFAOYSA-N 482.585 2.003 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@](C)(O)CCOC)CC1 1705646635 KYSJZCZRQYDIAT-QHCPKHFHSA-N 459.978 2.352 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCN(CC(C)C)C1 1705668237 HIZCIJJQUIHORW-CNNODRBYSA-N 450.653 2.248 30 10 JEEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1705680823 HXVXJRICZMJLPE-HYVNUMGLSA-N 458.401 2.068 30 10 JEEE C=C(C)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1705721424 ZATAPYLQRRAOTQ-OAQYLSRUSA-N 496.612 2.118 30 10 JEEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1705729982 DWNFRPFBMJVWJR-KRWDZBQOSA-N 457.535 2.233 30 10 JEEE C=CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1705886854 GVVZFNVYHNLKEA-INIZCTEOSA-N 489.577 2.296 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCS[C@@H](C)[C@H]1C 1705894929 OIUJULSBPMBTIS-CABCVRRESA-N 463.007 2.494 30 10 JEEE C=CCNC(=O)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC(NC(=O)C(C)C)CC1 1705905613 BAZNSTLVVPMICG-UHFFFAOYSA-N 463.586 2.393 30 10 JEEE CC(=O)NC[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2ccn(C)n2)C1 1706040474 FQAYXUHQMQJLJI-FQEVSTJZSA-N 462.558 2.057 30 10 JEEE CC[C@@H](C)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CCNC(=O)c1cc[nH]n1 1708524097 AWCISGGZOOTUTR-MRXNPFEDSA-N 465.537 2.282 30 10 JEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1722332916 PYWOLMPCCJWARB-QZTJIDSGSA-N 465.620 2.429 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CC1(C(=O)NCC)CCC1)[C@H]1CCS(=O)(=O)C1 1722360470 ULZFNJUJGQPNIN-NRFANRHFSA-N 483.638 2.441 30 10 JEEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@H](C(C)C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1722362717 OCGOQWRNANRWTQ-SIKLNZKXSA-N 489.617 2.068 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2(OC)CCCCC2)CC1 1722434191 MJLGGRCINSZYEE-UHFFFAOYSA-N 471.627 2.453 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCN(CC(F)(F)F)C2)CC1 1722435984 UOYCHBGICNOTFC-IBGZPJMESA-N 457.504 2.456 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCc2cccc(C)n2)CC1 1722444314 WMKVMCMFACXBEW-AREMUKBSSA-N 480.613 2.231 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CC2(O)CCN(C(C)C)CC2)CC1 1722447976 SHSWQHQJURBYFJ-UHFFFAOYSA-N 496.631 2.209 30 10 JEEE C=C(C)Cn1c(-c2ccccc2C)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1722521349 OQKWFKBUDUZLOW-UHFFFAOYSA-N 455.588 2.382 30 10 JEEE C=C(Cl)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1722545473 GFCUIYUCMJEUJQ-UHFFFAOYSA-N 454.940 2.466 30 10 JEEE C=CCN(c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC1(O)CCS(=O)(=O)CC1)C1CC1 1722645324 ISDJTVNBVXZFJK-UHFFFAOYSA-N 492.598 2.065 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1722697219 HLLQOOJHNUXSDG-UHFFFAOYSA-N 458.570 2.170 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(C[C@H]3CCCO3)CC2)cc1 1722702621 NOOXDRXCNUNWSP-JOCHJYFZSA-N 468.602 2.330 30 10 JEEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CCCN1CCN(c2ccncc2)CC1 1740558921 VYFXJUXVAPAHRL-FQEVSTJZSA-N 492.653 2.335 30 10 JEEE C#CCN(c1nnc(COCC)n1Cc1ccc(OC(C)(C)C)nc1)[C@H]1CCS(=O)(=O)C1 1740628297 PEFPYMROKXHDOC-SFHVURJKSA-N 461.588 2.062 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCCCO3)n2CC2CCN(C(C)=O)CC2)n1 1740688958 MIFPIGAOYOFBKB-QHCPKHFHSA-N 483.617 2.261 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CCOCCOC)CC1 1740691636 LBEINEQTUGCIGG-UHFFFAOYSA-N 462.392 2.434 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H](C)Oc2ccc(F)cc2)CC1 1740692990 SBIZOUYVYXSVNX-YADARESESA-N 457.550 2.292 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1740759381 BTZKLXSOCOWCHL-XPNTWCBSSA-N 474.650 2.144 30 10 JEEE C=C(Cl)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(C)=O)CC1 1740821060 BUPUUXHYWXWAFJ-MRXNPFEDSA-N 454.959 2.008 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)NC(C)C)n1CC1(N2CCOCC2)CC1 1740914207 MZYOMOQNSGPDGB-UHFFFAOYSA-N 463.586 2.345 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccccn2)n1C[C@]1(O)CCS(=O)(=O)C1 1740915277 ACBUFPOLYAHOMA-HSZRJFAPSA-N 469.567 2.091 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC(Cn3nc(C)cc3C)CC2)nnc1[C@]1(OC(C)C)CCOC1 1740964567 FDZOQXLJPMMHJP-VWLOTQADSA-N 485.633 2.351 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1740987994 QMFKILJEJGRCIP-QGZVFWFLSA-N 450.561 2.222 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCN(C(=O)c3cc(C)oc3C)CC2)nnc1C(C)(C)C 1740994527 SCASJNBZPPINQK-UHFFFAOYSA-N 463.604 2.349 30 10 JEEE C=CCSCCn1c(N2CCC3(CC2)COC(=O)N3)nnc1[C@]1(OC(C)C)CCOC1 1741005026 RPMBNQNCPJPMOA-NRFANRHFSA-N 451.593 2.317 30 10 JEEE CNC(=O)[C@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1748121066 DDASHSFBPQZLHN-VAMGGRTRSA-N 497.644 2.435 30 10 JEEE C#CCN(c1nnc(-c2ccc(F)cc2Br)n1CC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1748808694 GEDLBPHSAWNDET-OAHLLOKOSA-N 497.390 2.388 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1CC(C)(C)C(=O)NCC)[C@H]1CCS(=O)(=O)C1 1748810409 VSBHHCXRIIHRAD-SFHVURJKSA-N 457.600 2.043 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(c2ccccc2OC)CC1 1748891573 AQXUYVRYJBYEBC-LJQANCHMSA-N 452.580 2.384 30 10 JEEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1749045039 YZTJNPNZSQTJKC-UHFFFAOYSA-N 498.701 2.031 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCC(N2CCCNC2=O)CC1 1749117965 ARPLJCSHGCRTRS-DYXWJJEUSA-N 476.622 2.367 30 10 JEEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 1749222162 AKLZVOYINISKBW-UNMCSNQZSA-N 484.649 2.088 30 10 JEEE C=CCCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1749434243 LYUUSMAUKOETMS-IBGZPJMESA-N 466.586 2.402 30 10 JEEE COCC[C@@](C)(O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1749608531 AQANLJUKKNYTIC-HYBUGGRVSA-N 450.543 2.182 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 1749676286 LEJLVDOLGZTZJD-IBGZPJMESA-N 494.600 2.264 30 10 JEEE CS(=O)(=O)C1(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCO[C@@H](C#N)C2)CCCC1 1750190674 HHNMUZIHJVPGNH-AWEZNQCLSA-N 483.392 2.122 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2Cc2cn3ccc(C)cc3n2)c1 1760127292 VMGXZTJUIIMZIT-UHFFFAOYSA-N 484.564 2.477 30 10 JEEE C#CCN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1CCCNS(C)(=O)=O 1760228633 MOFKVXFALSAGHN-UHFFFAOYSA-N 454.394 2.415 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1sccc1Br 1760243933 UUUWFSPFQXVSDY-UHFFFAOYSA-N 452.378 2.472 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCC2(O)CCOCC2)CC1 1760264019 YXSDGFRBPHPMKE-FQEVSTJZSA-N 488.633 2.037 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2CCN(CC)C2)CC1 1760267203 VEKVPWMDAFFJTL-INIZCTEOSA-N 488.434 2.343 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@@H]2CCCN2Cc2ccccc2)CC1 1760273259 MWBIKWRFJPUAEN-QHCPKHFHSA-N 464.614 2.445 30 10 JEEE C#CCSCCn1c(COc2cc(C)ccc2C)nnc1N1CCc2nn(C)c(=O)cc2C1 1760285109 XCGOTLXELIGGDR-UHFFFAOYSA-N 464.595 2.497 30 10 JEEE C=CC1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCCNS(=O)(=O)CC)CC1 1760399405 LKWLGIYCPJQRNQ-UHFFFAOYSA-N 461.588 2.448 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCS(=O)(=O)NC)CC1 1760401181 BTGLDJMEMHIFCY-GOSISDBHSA-N 482.651 2.344 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](C)N1CCOCC1 1760477677 HPVKHZOFAXTYEW-GHTZIAJQSA-N 454.575 2.151 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H]2C[C@H]1CO2)C(C)C 1760490007 OIRRHABNSCSZKT-ANULTFPQSA-N 463.648 2.246 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1760523465 YWZVLAPOYSCRIC-QGZVFWFLSA-N 461.448 2.201 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1760524934 ODPZVWFAWUUGJY-UHFFFAOYSA-N 458.538 2.225 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H](N2CCCC2=O)C1 1760554946 RONVOZIIGUTCQN-KRWDZBQOSA-N 493.580 2.339 30 10 JEEE C[C@@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CSCCS1 1763038644 DWWQVECACZKHOM-QAPCUYQASA-N 458.613 2.244 30 10 JEEE CN(C)C(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1768450798 AIUOVDNOSWUAOH-UHFFFAOYSA-N 496.641 2.210 30 10 JEEE COC[C@@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(c2cc(C#N)ccn2)CC1)OC 1769264098 CUYKSXIBRHSBDA-KCZVDYSFSA-N 483.617 2.451 30 10 JEEE N#C[C@]1(F)CCN(c2nnc(C(=O)N3CCCC3)n2CCOc2cccc(C(F)(F)F)n2)C1 1770726165 BRQLOWSCCQXYOC-LJQANCHMSA-N 467.427 2.449 30 10 JEEE Cn1cccc(C(=O)N2CCN(Cc3ccc(C(=O)Nc4ccccc4C#N)cc3)CC2)c1=O 1860923162 IJGVXTPMUPZHAV-UHFFFAOYSA-N 455.518 2.467 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)C2CCN([C@@H](C#N)c3cccs3)CC2)CC1 1868782307 GSJMNXFWNDYSKC-SFHVURJKSA-N 475.615 2.220 30 10 JEEE O=C(NCCCCCCO)[C@H](Cc1c[nH]c2ccccc12)N=C1NS(=O)(=O)c2ccccc21 1869932241 YCRGJVOQRSDGFV-NRFANRHFSA-N 468.579 2.487 30 10 JEEE N#Cc1nnn(-c2ccc(Cl)cc2)c1NC(=O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1870155308 GODYKCDSEIYNPG-UHFFFAOYSA-N 465.813 2.325 30 10 JEEE C=CCNC(=O)C1CCN(C(=O)[C@H]2CC(=O)N(CCc3ccc(OCC)c(OCC)c3)C2)CC1 1872936994 WJFCOGFUULBHAT-NRFANRHFSA-N 471.598 2.416 30 10 JEEE O=C(O)c1ccc(/C=N/n2c(SCCO)nnc2[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1 1874208335 CGMZLJLCLVZWHY-NZYROCMPSA-N 465.535 2.459 30 10 JEEE COc1cccc(/C=N/n2c(Cc3ccccc3[N+](=O)[O-])nnc2SCC(N)=O)c1OC 1874295020 GAERJKCSEQQASY-SSDVNMTOSA-N 456.484 2.254 30 10 JEEE CCCN(CCC)C(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1ccccc1C(=O)O 1874434468 GZPRZDOQHHUTHB-FSJBWODESA-N 460.560 2.235 30 10 JEEE CCCNC(=O)CSc1nnc(COC)n1/N=C/c1cc(Br)c(O)c(OC)c1 1874498737 DKALISXGXRSAQE-DNTJNYDQSA-N 472.365 2.402 30 10 JEEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)c3cncc(Br)c3)CC2)CC1 1889333200 NTMOALFUEWORHD-UHFFFAOYSA-N 463.420 2.495 30 10 JEEE CCOC(=O)C[C@@H]1COCCN1C(=O)[C@H]1SCC(=O)N(C(C)C)[C@@H]1c1ccc(C#N)cc1 1890414879 YVGBMNCGGAXJSW-QIJUGHKUSA-N 459.568 2.132 30 10 JEEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)COc3cc(=O)oc4ccccc34)CC2)CC1 1891629812 TZCVDZGCUYADDD-UHFFFAOYSA-N 481.593 2.209 30 10 JEEE CC(C)(C)OC(=O)NC[C@]1(O)C[C@H](C(=O)NCc2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2180970057 IUINEUIRPSMSHR-WVQHILGCSA-N 460.380 2.268 30 10 JEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2255623069 IVLATRFYXPCZTJ-LSDHHAIUSA-N 452.382 2.411 30 10 JEEE CC1(C)OB(c2cnsc2C(=O)N[C@@H]2CCOC[C@@H]2NC(=O)OCc2ccccc2)OC1(C)C 2255842978 ZVWKLVMDDJKNPB-MSOLQXFVSA-N 487.387 2.256 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)N(C)Cc1sccc1B1OC(C)(C)C(C)(C)O1 2256614909 QFKQBNBRDOMDFJ-XJKSGUPXSA-N 454.398 2.280 30 10 JEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)oc1C 2267005971 PTZQGWRSZDVMGH-HZPDHXFCSA-N 450.341 2.251 30 10 JEEE CO[C@@H]1C[C@@H](CNC(=O)c2occc2B2OC(C)(C)C(C)(C)O2)N(C(=O)OC(C)(C)C)C1 2267183635 HGVZSNGEVDIHSL-LSDHHAIUSA-N 450.341 2.333 30 10 JEEE CC(C)(C)OC(=O)NCCN(CCO)C(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1F 2267404687 FGAHDQMNWAUDPF-UHFFFAOYSA-N 452.332 2.084 30 10 JEEE CC1(C)OB(c2nccnc2C(=O)N[C@@H](CNC(=O)OCc2ccccc2)C(F)(F)F)OC1(C)C 2267873079 NNPBWSQOFSUZMK-HNNXBMFYSA-N 494.279 2.363 30 10 JEEE CC(C)(C)OC(=O)NC[C@]1(C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)CCCO1 2268606732 MUOWJPHYTHEPIV-NRFANRHFSA-N 467.397 2.132 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@](CO)(NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2281767709 JOUYXMDRSQJYPL-HSZRJFAPSA-N 464.343 2.227 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC(CO)(NC(=O)OC(C)(C)C)CC1 2281980404 JIYOQAWDTMKONE-UHFFFAOYSA-N 481.424 2.243 30 10 JEEE Cc1c(C(=O)N[C@H]2C[C@](F)(CNC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281984652 HDENJHAEHSIABP-XLOAEROZSA-N 466.363 2.153 30 10 JEEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@@H](F)[C@@H](NC(=O)c1cc(B3OC(C)(C)C(C)(C)O3)n[nH]1)C2 2281986179 OUVZZACCCPNZHQ-HPZZRFSDSA-N 464.347 2.317 30 10 JEEE CC(C)(C)OC(=O)N=c1[nH][nH]cc1CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282010856 ZQDUOQHZPOHLEI-UHFFFAOYSA-N 477.758 2.456 30 10 JEEE CC1(C)OB(c2c[nH]c(C(=O)N3CC[C@@](CNC(=O)C(F)(F)F)(C4CC4)C3)c2)OC1(C)C 2282054392 PZZVMZGGTRZONG-FQEVSTJZSA-N 455.286 2.235 30 10 JEEE Cn1cc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C2CC2)c(B2OC(C)(C)C(C)(C)O2)n1 2282066741 LEIZMZSVLPKNNA-SJORKVTESA-N 460.384 2.237 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)N[C@H](C)C1(O)CN(C(=O)OC(C)(C)C)C1 2282143348 VWCZQZVKSOYOJW-MRXNPFEDSA-N 460.380 2.394 30 10 JEEE CN(C1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2282343181 OOYJMLLRSDCSGT-ROUUACIJSA-N 478.420 2.472 30 10 JEEE C[C@@H]1[C@@H](NS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CCCN1C(=O)OC(C)(C)C 2282346184 MGBURUKWNYAWSM-QAPCUYQASA-N 481.424 2.447 30 10 JEEE Cc1nn(C)c(C(=O)N2C[C@H]3CCN(Cc4ccccc4)[C@H]3C2)c1B1OC(C)(C)C(C)(C)O1 2282565421 JOPXLGKBETXHEI-UXHICEINSA-N 450.392 2.374 30 10 JEEE Cc1nn(C)c(C(=O)N2CC(C3(NC(=O)OC(C)(C)C)CC3)C2)c1B1OC(C)(C)C(C)(C)O1 2282583292 IBUWBNXWHVIEFP-UHFFFAOYSA-N 460.384 2.157 30 10 JEEE Cn1cc(C(=O)N2C[C@@H](NC(=O)OC(C)(C)C)CC23CCC3)c(B2OC(C)(C)C(C)(C)O2)n1 2282589602 PMGNIWPFBHAWCC-HNNXBMFYSA-N 460.384 2.381 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@H]2CCN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)c[nH]3)C[C@H]21 2282647205 YTXKCEWKDUEWPB-QZTJIDSGSA-N 461.368 2.164 30 10 JEEE Cc1cccc(C(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)c1B1OC(C)(C)C(C)(C)O1 2282647553 CVLFIJKXXWEXKM-FUHWJXTLSA-N 460.380 2.252 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)s3)C[C@H]2[C@@H]1CO 2282668806 KRSFAFROVKXEEH-XHSDSOJGSA-N 478.420 2.347 30 10 JEEE C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2cccc(B3OC(C)(C)C(C)(C)O3)c2C1 2283971677 KAWMKTPEGWFIJO-BEFAXECRSA-N 460.380 2.145 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H](C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1)[C@H]1CCOC1 2284039532 ISQINLDOSMXEAF-JKSUJKDBSA-N 461.368 2.497 30 10 JEEE COc1ccc(F)cc1C(O)=C1C(=O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1cccnc1 2296616816 ZCZZNXYFPUZARS-OAQYLSRUSA-N 455.486 2.373 30 10 JEEE CCOc1ccc(C(O)=C2C(=O)C(=O)N(CCOCCO)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 2296937127 URFSAAOPOWVASP-FQEVSTJZSA-N 456.451 2.424 30 10 JEEE COc1cccc(C=Nn2c(SCC(N)=O)nnc2[C@@H]2CC(=O)N(Cc3ccccc3)C2)c1OC 2325917917 ZYSIPJXFXHBUJX-GOSISDBHSA-N 494.577 2.271 30 10 JEEE C=CCN(CC=C)c1nc(NC(=O)C=Cc2ccc3c(c2)OCCO3)n([C@@H]2CCS(=O)(=O)C2)n1 2331675567 ALLOVNARRSLGLO-GOSISDBHSA-N 485.566 2.239 30 10 JEEE C[C@@H]1CC[C@@H](CNC(=O)C(F)(F)F)N(C(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C1 2337333570 BSHXFEAOILBQRU-NEPJUHHUSA-N 461.315 2.362 30 10 JEEE CC(C)(C)OC(=O)N[C@]1(C(=O)N2CC[C@](C)(B3OC(C)(C)C(C)(C)O3)C2)CCS(=O)(=O)C1 2342479986 MKSRXNZCCAQUKW-LEWJYISDSA-N 472.413 2.153 30 10 JEEE CC(C)(C)OC(=O)N(CCCO)CCC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2368524905 FBHLQQJIPPNPND-UHFFFAOYSA-N 467.347 2.468 30 10 JEEE CN(CCOc1ccc(Cl)cc1)C(=O)CN1CCN(S(=O)(=O)c2ccccc2C#N)CC1 15445469 JXPICPZXUXWQMD-UHFFFAOYSA-N 476.986 2.055 30 10 JEEE COc1ccc(NC(=O)CSc2nnc(N/N=C/c3cc(OC)c(OC)c(OC)c3)n2N)cc1 20827128 PXUROADPHPAWKL-FOKLQQMPSA-N 487.542 2.203 30 10 JEEE COc1cc([C@@H]2c3c(nc(N4CCC(C)CC4)[nH]c3=O)NC(=O)[C@H]2C#N)cc(OC)c1OC 72445356 FDNBIQVAHZKBMJ-YOEHRIQHSA-N 453.499 2.256 30 10 JEEE C=CCNC(=O)CN1CCN(C(=O)c2cc(S(=O)(=O)Nc3cccc(C)c3)ccc2C)CC1 512710578 VQTQCSCRQAFOCL-UHFFFAOYSA-N 470.595 2.164 30 10 JEEE C=CCOc1ccc(/C=C/C(=O)N2CCC(C(=O)OCC)(S(C)(=O)=O)CC2)cc1OC 1271886941 ZBNBHEAZBGJMOY-CSKARUKUSA-N 451.541 2.242 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@H]1CCCS1)[C@H]1CCS(=O)(=O)C1 1286391972 KJNWPRYHRSQUSE-DLBZAZTESA-N 451.643 2.156 30 10 JEEE C#CCN(c1nnc(CCOc2ccccc2)n1CC1(N(C)C)CCC1)[C@@H]1CCS(=O)(=O)C1 1286392728 MXNQCKFIXJCBPW-HXUWFJFHSA-N 471.627 2.011 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCS(=O)(=O)N1CCSCC1 1286433561 WTMVTLJYIZBJMM-WOJBJXKFSA-N 493.699 2.038 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2oc(CC)nc2C)CC1 1286480380 MXKWYMFRLRUCCW-IBGZPJMESA-N 499.616 2.249 30 10 JEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](C)Oc2ccc(OC)cc2)CC1 1286484944 RFROUNNDBZYNSR-OAQYLSRUSA-N 463.586 2.371 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1286563893 RNZQMFZIHSCSLX-SXLOBPIMSA-N 467.636 2.361 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1286672137 HJXVSOXTYBSXEM-SFTDATJTSA-N 478.707 2.387 30 10 JEEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1286687951 NYBXJEXGIGLNGL-IBGZPJMESA-N 455.588 2.130 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1286786984 NTQQRCMKJPVTEF-HXUWFJFHSA-N 476.585 2.318 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1286793050 PUPAQYQPIFTGPM-LJQANCHMSA-N 467.599 2.283 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@H]2CCCOC2)C1 1286805964 VUKCFVVYRIQTCC-UYAOXDASSA-N 475.615 2.403 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(OCCC)nc2)C1 1286808638 CTYGVWYMVFQZLV-RTBURBONSA-N 461.588 2.194 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCc2cc(Br)ccc2C1 1286814290 OYXHFEZYXZJJEC-UHFFFAOYSA-N 496.431 2.342 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@H](C)C[C@@H]1CC 1286819557 NXPVFDMBFNSSMC-SJORKVTESA-N 470.599 2.418 30 10 JEEE CC(=O)N1CCN(CCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC(C#N)CC2)CC1 1286889151 DWJHVJGQBPWOJJ-NHCUHLMSSA-N 457.623 2.101 30 10 JEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1300364694 LUHAHFCTYBHFHP-ZWKOTPCHSA-N 465.620 2.429 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1CCCN1CCN(c2ccccc2)CC1)[C@H]1CCS(=O)(=O)C1 1300483911 MYLVIEQMTAYWAY-QHCPKHFHSA-N 498.697 2.415 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCC(=O)NC1CC1 1300579807 ZYXVURIPEVGSPN-FQEVSTJZSA-N 484.601 2.108 30 10 JEEE C#CCN1CCN(c2nnc(-c3cnccn3)n2C[C@@H](C)N(CC)C(=O)OC(C)(C)C)CC1 1300695965 PWQCEUXTJKJDRF-GOSISDBHSA-N 454.579 2.136 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C 1300780477 QXYHSJFPGWIZBD-GSHUGGBRSA-N 482.651 2.430 30 10 JEEE C=C(C)COCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1300980569 KODFMJLEZBCWIZ-UHFFFAOYSA-N 472.553 2.230 30 10 JEEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CN2C[C@H](C)O[C@H](C)C2)CC1 1301222888 IPILFZDMWFMTHM-ZVDOUQERSA-N 465.664 2.472 30 10 JEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1301612677 OXGCYHKFDAJWFW-KRWDZBQOSA-N 490.630 2.437 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)C[C@@H](C)C#N)n1Cc1ccccc1OCC(F)(F)F 1301951601 BSFQVIFOJOAXLS-KBPBESRZSA-N 474.509 2.474 30 10 JEEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCC(C#N)CC3)n2Cc2cccc(C(F)(F)F)c2)C1 1302476762 AKJMGWVRJNAFDO-GOSISDBHSA-N 498.531 2.418 30 10 JEEE N#Cc1ccc(OCc2nnc(N3CCC[C@H](C(N)=O)C3)n2C[C@H]2CCN(CC(F)(F)F)C2)cc1 1302993869 HFIWTVIFKRFAPS-ROUUACIJSA-N 491.518 2.315 30 10 JEEE CCN(CC)[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1313656891 HIULDMJZPCBFEN-GOSISDBHSA-N 473.647 2.407 30 10 JEEE CCN(CC)CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1313715396 ARVTWYBWTFIHJD-QHCPKHFHSA-N 499.685 2.106 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(C)CN(C2CC2)C1=O 1358889388 BFCFAYADCMRQTB-GXYVPTEVSA-N 472.590 2.055 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCC[C@H]1OC)[C@@H]1CCS(=O)(=O)C1 1358958919 YJCKQISHQPWRFY-PWRODBHTSA-N 453.568 2.259 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCOC1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1358967215 GCPKNNALOMTZMS-UYAOXDASSA-N 450.605 2.496 30 10 JEEE C#CCN(c1nnc(COCC)n1Cc1c(C)nn(-c2ccccc2)c1C)[C@@H]1CCS(=O)(=O)C1 1358967378 JFXYZYYEDZBNSX-OAQYLSRUSA-N 482.610 2.292 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2CCNC(=O)c2cccs2)CC1 1359046315 NEBHNLZNYWMPQJ-UHFFFAOYSA-N 494.596 2.465 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CCNS(C)(=O)=O 1359157157 AJLHAOKKFPVNQL-AWEZNQCLSA-N 463.004 2.088 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@H](OCC)C1 1359292443 PIOLTUWKOGKUPL-SFHVURJKSA-N 460.966 2.169 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CC)Cc1ccc(Cl)s1 1359300742 JCVGQBXNSMRBIY-CYBMUJFWSA-N 458.009 2.224 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@H](C)CC(C)(C)C1 1359329502 LCTAKKLZZPRLRK-QGZVFWFLSA-N 470.603 2.394 30 10 JEEE CC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCN(C(C)C)CC2)C1 1359416304 BZJYJSKFJVBXGG-QFIPXVFZSA-N 465.602 2.157 30 10 JEEE C#CCNS(=O)(=O)c1cccc(C(=O)N(CCC(=O)OC)Cc2ccc(F)c(F)c2)c1 1444082836 MEQSGMBWDZYDQK-UHFFFAOYSA-N 450.463 2.082 30 10 JEEE N#Cc1ccc(CS(=O)(=O)CC(=O)NC2CCN(CCOc3ccc(F)cc3)CC2)cc1 1465343500 BGZNOKVEKXSPOG-UHFFFAOYSA-N 459.543 2.272 30 10 JEEE C#C[C@H](CC)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 1467771652 TZIIMJCBAZBDFQ-IERDGZPVSA-N 454.508 2.494 30 10 JEEE C#CCN(c1nnc(-c2nnc(O)c3ccccc23)n1CCCCCOC)[C@@H]1CCS(=O)(=O)C1 1507630557 CEFGTVWARYKOSC-QGZVFWFLSA-N 484.582 2.037 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1csc([C@H](C)OC)n1)[C@@H]1CCS(=O)(=O)C1 1507631227 CDGZKCWIBMTVEQ-LZLYRXPVSA-N 479.628 2.011 30 10 JEEE C#CCN(c1nnc(CCOc2ccccc2)n1C[C@]1(O)CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1507640795 WEOSTBOOZMNEDK-DCLXLUIPSA-N 472.611 2.077 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@](C)(O)C1CC1 1507671895 RJIKREIKFBASHP-NTKDMRAZSA-N 457.575 2.210 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)Oc2cccc(F)c2)CC1 1507715967 KSTVOUCDPVZQSI-SFHVURJKSA-N 463.517 2.287 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1507802692 COSNSDWKRBUMMS-JWWGGVBKSA-N 473.549 2.490 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccc2OC)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1507804081 JVESHTLIDXGQOJ-DXIQSLLYSA-N 460.600 2.482 30 10 JEEE C=CCCCn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1507938975 GOXAHOILHJDITM-UHFFFAOYSA-N 472.977 2.072 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1([S@](C)=O)CC1 1507996024 FUJCFWCCPJDVOD-DRKIFQHWSA-N 478.640 2.293 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1NC(=O)CC1(C)C 1508038255 HCRBVUKDOQJUIG-ZWKOTPCHSA-N 492.621 2.140 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CC[C@H](c3ccco3)C2)nnc1[C@@]1(OCC)CCOC1 1508149217 QPNXKLVLWKFGNP-LAUBAEHRSA-N 450.561 2.118 30 10 JEEE C=CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@]2(CNC(=O)C2)C1 1508162954 SPGBTFVUHYXFLC-HXOBKFHXSA-N 492.646 2.222 30 10 JEEE Cc1ccc(-c2nnc(N3CCN(c4ccccc4C#N)CC3)n2CC(=O)NCC(F)F)o1 1510812622 ATPGMLIPKCRXEH-UHFFFAOYSA-N 455.469 2.426 30 10 JEEE Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCNC(=O)c2cccs2)cc1 1511005157 BYRIIGQCFZFRAH-GOSISDBHSA-N 452.540 2.386 30 10 JEEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(C(N)=O)CCOCC2)C[C@@H](C(F)(F)F)O1 1512418772 GNXBBHSBOPZZES-YOEHRIQHSA-N 478.475 2.255 30 10 JEEE CC[C@@]1(C)CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CCO1 1513576531 HRENKWQTUYPANQ-AVRDEDQJSA-N 458.588 2.104 30 10 JEEE C#CCN(C)c1nnc(-c2cc(F)ccc2Br)n1CCN/C(O)=C1\N=CC=CC1=O 1539154746 KRPZBOKQFHENEK-HTXNQAPBSA-N 473.306 2.443 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)o2)n1CC(=O)N(C)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1539212547 QHUWIJIUAMQDRS-LJQANCHMSA-N 473.599 2.264 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC)[C@H]1CCS(=O)(=O)C1 1539220049 HKMRXHCQZGRRAU-MSOLQXFVSA-N 465.620 2.429 30 10 JEEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1539230334 LXEYYWMFIQKKFU-UXHICEINSA-N 458.584 2.280 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cc(Br)cn2C)n1CC1(O)CC(OCC)C1 1539302004 ZVDPVORHBGGQPF-UHFFFAOYSA-N 460.376 2.439 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1occc1C 1539399669 PCWVTWWUIMUFBG-UHFFFAOYSA-N 457.556 2.231 30 10 JEEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCc2ccc(OC)c(Br)c2)CC1 1539444872 WPRJRIPNEFVOEZ-UHFFFAOYSA-N 484.402 2.448 30 10 JEEE C#CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1539519205 FCAXPMUWWOFNQL-FQEVSTJZSA-N 477.631 2.379 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1539630140 YYQIDNQEYOVMFD-HKUYNNGSSA-N 454.579 2.346 30 10 JEEE C=CC1CCN(c2nnc(CNC(=O)c3cccs3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1539897496 FSQMQZVKFUZCQL-LSDHQDQOSA-N 481.582 2.198 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc(-c2cnccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1540127935 YGCRAYNLSCUZMI-LNVKXUELSA-N 456.510 2.454 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC(CCC(N)=O)CC2)cc1 1540877880 IPZMKRZCZRAZIV-FQEVSTJZSA-N 452.559 2.324 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 1540902304 GLWNBMCEVMAXRY-LJQANCHMSA-N 482.628 2.160 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 1540903794 GUKBJWXCLHQMQW-UHFFFAOYSA-N 497.581 2.100 30 10 JEEE CC[C@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCC1(O)CCOCC1 1545545611 AKYASULBJGLSBV-ZWKOTPCHSA-N 454.579 2.100 30 10 JEEE CCS(=O)(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1CCCN1C[C@H](C)O[C@@H](C)C1 1548307662 CZDZHIOKSRSUHM-OALUTQOASA-N 474.631 2.187 30 10 JEEE Cc1cc(C(=O)N2C[C@H](C(N)=O)C3(CCN(c4ccc(C#N)c(C(F)(F)F)c4)CC3)C2)nn1C 1548375168 DVLJIRIIGVMKRM-GOSISDBHSA-N 474.487 2.463 30 10 JEEE COC[C@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1555230785 AJQNZKXUYXBPDB-GOSISDBHSA-N 452.559 2.174 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(OC)c(OCC)c(OC)c1 1587639798 NFWWXOMJBWAETP-RDJZCZTQSA-N 462.572 2.102 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](c2ccco2)N(C)C)c1 1587693155 PVUYXFZKOCOENF-VQTJNVASSA-N 475.553 2.181 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CCc1ccccc1C)[C@H]1CCS(=O)(=O)C1 1588034749 LHXKLTSZAZMXPZ-URXFXBBRSA-N 472.611 2.108 30 10 JEEE C#CCN(c1nnc(-c2ccc(Br)cc2)n1Cc1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 1588039916 GCWJPDJQLCSWEM-SFHVURJKSA-N 489.399 2.116 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@H](C)c1nc(C)cs1)[C@@H]1CCS(=O)(=O)C1 1588065145 VKLPVGOKHLJYOL-QFBILLFUSA-N 470.624 2.459 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCN1CCCS1(=O)=O 1588083821 KEVVQCRAPHSGNP-QGZVFWFLSA-N 461.975 2.180 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(OCCC)c(OC)c2)n1C[C@]1(O)CCN(C)C1 1588205153 FAZJVLHXCWQIEM-VWLOTQADSA-N 451.571 2.272 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@H]2CCCN2CCCO)CC1 1588779744 BFDJOWDEZXYDAN-LJQANCHMSA-N 460.985 2.340 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCn2cc(C)cn2)CC1 1588907958 IGLXRTKHKASANO-UHFFFAOYSA-N 477.569 2.133 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CCC(=O)N2)n1CCN1CCN(Cc2ccccc2)CC1 1589652263 RAXPZJGOPZRIIL-JOCHJYFZSA-N 451.619 2.449 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1ccccc1)N(C)C 1589663509 NXFAZFVHOJUTBF-SFTDATJTSA-N 476.647 2.316 30 10 JEEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 1589708471 OCEQNTWZEUSITL-HNNXBMFYSA-N 464.548 2.420 30 10 JEEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1594448382 DNDWZRSUDBTFCG-UHFFFAOYSA-N 475.619 2.293 30 10 JEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2c(F)ccc(F)c2C1 1594732711 GXWWPFQSJNOSQM-LJQANCHMSA-N 467.542 2.418 30 10 JEEE C=CCN(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1C[C@@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1594829060 BEBXPUHIQKGFTF-FGTMMUONSA-N 460.579 2.161 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1OCC[C@H]1C 1595114932 BDQJTCROFOZIHK-HMXCVIKNSA-N 475.615 2.229 30 10 JEEE C=CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1595366829 RHFMLWRWXWVCBX-UHFFFAOYSA-N 454.575 2.283 30 10 JEEE C=CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@H](CNC(C)=O)C1 1595905690 OGWWDIPXUDOMOS-GUDVDZBRSA-N 451.637 2.457 30 10 JEEE CC(=O)N1CCCN([C@@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCC(C)(C)O)C[C@@H]2C)CC1 1596136111 QLOAXQZWXXXXQH-WMZHIEFXSA-N 479.629 2.357 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1ccc(C(C)(C)O)cc1 1611696303 FKZQUWXVTPNHJE-KSFYIVLOSA-N 460.604 2.294 30 10 JEEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](N2CCOCC2)C(F)(F)F)CCO1 1612914349 BWIPFGXAXVJRQJ-MAUKXSAKSA-N 450.465 2.305 30 10 JEEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3C[C@H](C)[S@@](=O)[C@@H](CC)C3)nnc12 1641553845 ZTFYZKQVSBGHMB-PYLBJUJXSA-N 459.597 2.080 30 10 JEEE CN(CCCc1cc(-c2ccccc2)n(C)n1)C(=O)CNS(=O)(=O)c1cccc(C#N)c1 1648477012 AOHURCIYNOPKNH-UHFFFAOYSA-N 451.552 2.328 30 10 JEEE C#CCNS(=O)(=O)N1CCN(Cc2ccc(N3CCCCC3)c(Br)c2)CC1 1653016976 NDWIOKGERQRSSB-UHFFFAOYSA-N 455.422 2.025 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC)n2C[C@H](N2CCOCC2)C(F)(F)F)c1 1689872162 QBTGOTYQPLZDGC-SFHVURJKSA-N 464.492 2.160 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2cccc(F)c2[C@@H]1C 1689930247 NNMROGMXSDTGKO-QFBILLFUSA-N 461.563 2.287 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCc1scnc1C)[C@@H]1CCS(=O)(=O)C1 1689987950 GIMYMERCFHKUDD-QGZVFWFLSA-N 456.597 2.283 30 10 JEEE C#CCN(c1nnc(CC)n1CCN(CCC)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1689993172 XEYIXFFMVKRZKW-QGZVFWFLSA-N 453.609 2.114 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H](c2c(F)cccc2F)N(C)C)CC1 1690146520 POWUXXJEKYCSFX-WIYYLYMNSA-N 486.567 2.329 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2Cc2csc(COC)n2)CC1 1690146559 QPMONKZTPZDJOF-GOSISDBHSA-N 458.588 2.137 30 10 JEEE C=C(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1690284668 QDSAMPCHQRYSCH-QZTJIDSGSA-N 489.646 2.182 30 10 JEEE C=CCCCn1c(COc2ccccc2OC)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1690493849 ULHZULPESYQEMO-UHFFFAOYSA-N 470.574 2.406 30 10 JEEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 1690507228 HNZQAKCBXSSRSR-LJQANCHMSA-N 472.977 2.324 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc3cccnc23)nnc1N1CCN(CC(F)F)CC1 1690720203 AXNRYZCHAYBYBR-UHFFFAOYSA-N 476.553 2.481 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1snnc1C 1705500650 RFPIWWCGCOLORI-GOSISDBHSA-N 450.616 2.309 30 10 JEEE C#CCCCn1c(N2CCN(c3ccc(C(N)=O)cc3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1705538862 BRDSEYSPXFGZDO-RUZDIDTESA-N 466.586 2.158 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2C[C@H]2CCCc3cccnc32)CC1 1705645666 ZSFMDCMQVCTOCU-SIKLNZKXSA-N 480.613 2.483 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccnc(C(F)(F)F)c2)CC1 1705648772 YKGARGOEUZTKTG-QGZVFWFLSA-N 462.476 2.210 30 10 JEEE C=C(C)COCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1705731439 XUTUPXBOGUFHPD-QHCPKHFHSA-N 498.628 2.298 30 10 JEEE C=C(Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(NS(C)(=O)=O)CC1)c1ccccc1 1705744994 VPKHOVWTUTZWAH-FPOVZHCZSA-N 475.615 2.234 30 10 JEEE C=CCOc1ccc(Cn2c(Cc3ccncc3)nnc2N2CCN(CC(=O)N(C)C)CC2)cc1 1705910974 UHKFMRIBHCQAIZ-UHFFFAOYSA-N 475.597 2.087 30 10 JEEE C=CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@H](C(=O)NC)C1 1705943620 GPPNNLLESWFLOP-INIZCTEOSA-N 477.660 2.120 30 10 JEEE CC[C@@H](c1ccccc1)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC(=O)N(C)C 1708660555 BWJPKIHRVOKACD-QUCCMNQESA-N 473.585 2.285 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCN(C)CC(F)(F)F 1722295435 KGFARVJPDDVQTE-MRXNPFEDSA-N 450.513 2.404 30 10 JEEE C#CCCCCn1c(N2CCN([C@@H](C)c3nc(C)no3)CC2)nnc1[C@]1(OCC)CCOC1 1722321771 BMLNASHNDBIZPM-MBSDFSHPSA-N 457.579 2.308 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1CCCN(CC)CC)[C@H]1CCS(=O)(=O)C1 1722361230 FZVAKXWRVZRQAE-FQEVSTJZSA-N 487.626 2.075 30 10 JEEE C#CCN(c1nnc([C@H]2COc3ccccc3O2)n1CC(C)(C)COC)[C@H]1CCS(=O)(=O)C1 1722365084 COKNKXLDGJCLDB-FXAWDEMLSA-N 474.583 2.090 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CCc1cccc(F)c1F)[C@H]1CCS(=O)(=O)C1 1722367616 WOZNEXKNIDDTHE-IBGZPJMESA-N 471.533 2.412 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnn(C)c3)n2Cc2ccc(F)c(F)c2)n1 1722427701 MREOVFXTILDZLJ-UHFFFAOYSA-N 466.496 2.488 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccccc2OCC(C)C)CC1 1722447919 PPTNYDUCOWPBDA-OAQYLSRUSA-N 478.597 2.278 30 10 JEEE C=C(Br)Cn1c(Cc2ccsc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1722487625 ULQYRCQIUKXJCZ-ZDUSSCGKSA-N 460.423 2.309 30 10 JEEE C=CCCOCCn1c(Cc2ccccc2F)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1722629064 MFFKYDOCXIRBBG-XMMPIXPASA-N 470.549 2.415 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1722728796 YEULSGNBVURXQF-ZWKOTPCHSA-N 464.592 2.271 30 10 JEEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](C)CC1 1722730165 KKKOKVHHAXOXGH-INIZCTEOSA-N 451.618 2.497 30 10 JEEE Cc1ccc(-c2nc(Cn3c([C@@H]4CN(S(C)(=O)=O)CCO4)nnc3N(C)[C@@H](C)CC#N)co2)cc1 1724280277 ARBPKUXAVWYOLH-PXNSSMCTSA-N 499.597 2.361 30 10 JEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccc(F)cc2C1 1740573363 BSPCAKRIRMJYAV-HXUWFJFHSA-N 461.563 2.116 30 10 JEEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1CCSC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1740623953 AKGZCURDVHFURI-INIZCTEOSA-N 498.556 2.396 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCCN(C(C)=O)C1 1740676620 ITCKIEOGQPESRO-CTNGQTDRSA-N 452.534 2.267 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCc2ccc(O)cc2)CC1 1740703400 RAEOGNADKJKWLD-SANMLTNESA-N 481.597 2.233 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@@H](C)Oc2ccccc2F)CC1 1740704180 JMFUBSHSPZUBPW-QGZVFWFLSA-N 463.517 2.308 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H](C)COC)CC1 1740710327 WOTWLKYMMNWYOO-YSIASYRMSA-N 488.633 2.297 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1740750172 NHOVSBSLRNEERK-QRVBRYPASA-N 460.579 2.210 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc2c(c1)OCCO2 1740774499 UCJRLXJBMYKNEZ-NRFANRHFSA-N 491.614 2.027 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1740974663 HFNQKDGNUANAEQ-QQMHEVNUSA-N 469.933 2.301 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCc2ccccc2F)C1 1740982932 YOLSOAWIPNCLMC-PZJWPPBQSA-N 493.605 2.164 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1740989405 MEMCZKVURKHBDW-CTNGQTDRSA-N 459.616 2.011 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1740991430 WNIQSNGFEHTMNI-ROUUACIJSA-N 467.636 2.252 30 10 JEEE C=CCSCCn1c(-c2ccc[nH]2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1741000984 ZUFDSTOAZGBURC-HXUWFJFHSA-N 459.664 2.424 30 10 JEEE CCNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1746480966 AIARIBBRUZEOSM-LJQANCHMSA-N 451.575 2.284 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCS(=O)(=O)C1 1748687372 IXESQVRWBXQNKM-ULQDDVLXSA-N 451.593 2.243 30 10 JEEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1748713905 VJFGOSFYYBIABJ-LJQANCHMSA-N 452.607 2.051 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@H](C)CN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1748818386 BEJBOWOSJZNRRB-IFMALSPDSA-N 470.643 2.013 30 10 JEEE C#CCN(c1nnc(CSc2ccccc2OC)n1CC1(O)CCC1)[C@H]1CCS(=O)(=O)C1 1748823917 FMZKRSDRDICWRO-KRWDZBQOSA-N 476.624 2.121 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCN1CCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1748824012 HEJCLMJBQPXMFV-XRXFAXGQSA-N 477.675 2.308 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H]1CCCCS1(=O)=O 1748948827 XRIOCCUXJQYOCI-FQEVSTJZSA-N 473.599 2.201 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H]2CCN(c3ccccc3OC)C2)CC1 1748971289 KSKJVPFDSKXHMQ-NRFANRHFSA-N 493.656 2.487 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2cc(C)nn2C)CC1 1749003877 YKYCAUXRPIPTKD-UHFFFAOYSA-N 485.390 2.092 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H](C)NC(=O)OC(C)(C)C)CC1 1749020050 KACBEFVCGIKHED-SJLPKXTDSA-N 460.579 2.009 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(OCCO)c(OC)c1 1749080670 RIOKAIWRNHWJSJ-KIVTUJJHSA-N 470.570 2.422 30 10 JEEE C=C(Br)Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1749084634 SNACHSKABQDXAU-DZGCQCFKSA-N 453.385 2.162 30 10 JEEE C=CCSCCn1c(Cc2csc(C)n2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1749761703 DWHSGDQHIHZHJD-NRFANRHFSA-N 475.644 2.368 30 10 JEEE CC1(C)CC(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(CCC#N)CC2CC2)C1 1751286008 GQZSUGSUSGBZLH-GOSISDBHSA-N 450.609 2.177 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CCN1CCCS1(=O)=O 1760104999 KQFNMMZHSUDLQH-AWEZNQCLSA-N 482.404 2.210 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(Cc2c[nH]c3ccccc23)n1CCS(=O)(=O)N1CCSCC1 1760119424 ZTSLLORYTAFVEU-QGZVFWFLSA-N 472.640 2.187 30 10 JEEE C#CCN(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1760167860 FPSZKXXLJHDTAB-QGZVFWFLSA-N 461.588 2.092 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCCN(C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1760188155 IPCVGLNJGRDTMQ-HXUWFJFHSA-N 452.584 2.426 30 10 JEEE C#CCN(c1nnc(COCC)n1Cc1c(F)cccc1OC(F)F)[C@@H]1CCS(=O)(=O)C1 1760193391 YTKCZYPNDCKXHS-CQSZACIVSA-N 472.489 2.230 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccc(N2CCOCC2)nc1 1760196751 XKBXKGJTCHIQNW-UHFFFAOYSA-N 480.370 2.388 30 10 JEEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1CCOC[C@@H]1C 1760249782 SXWNWDJEURVBAA-PZJWPPBQSA-N 453.591 2.211 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC)n2Cc2ccc(I)cc2)CC1 1760270319 OVBKGCOUVBDJGW-UHFFFAOYSA-N 477.350 2.459 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(F)cc2)CC1 1760281701 QCVSDFVJOOTCIS-KRWDZBQOSA-N 463.604 2.012 30 10 JEEE C#CCSCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCc2nn(C)c(=O)cc2C1 1760284950 VONVTZVROHGKBE-UHFFFAOYSA-N 464.595 2.497 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(Cl)cccc1OC 1760295705 VDDXIANZMQNYSZ-DENIHFKCSA-N 494.017 2.313 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCN(CCOC)[C@H](C)C2)nnc1[C@@]1(OCC)CCOC1 1760327448 HFLRSSQPRKXLRG-IUBSTNSRSA-N 463.623 2.068 30 10 JEEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1760359186 HSPRJQMRRLPBKE-OAQYLSRUSA-N 459.664 2.443 30 10 JEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(F)c(F)c1 1760440977 VJNCJKYCFOUPRJ-GOSISDBHSA-N 455.531 2.492 30 10 JEEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1csc(C)n1 1760450513 MOINYHOEVLKKIR-RTBURBONSA-N 496.659 2.310 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCC[C@@H](NC(C)=O)C1 1760517534 PGCBXLIYJGVXTM-OAHLLOKOSA-N 479.354 2.254 30 10 JEEE CCS(=O)(=O)N(C)CCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@@H](C#N)C1 1766697344 BODSEOPTIQTJOL-LPHOPBHVSA-N 497.021 2.472 30 10 JEEE CN(C)CC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1766936114 CWIIOXAIXQIIGU-LEWJYISDSA-N 486.642 2.218 30 10 JEEE CN(CCN1CCOCC1)c1nnc(COc2ccc(C#N)cc2)n1CC[S@@](=O)C(C)(C)C 1768940704 FZPDYXYFEPSEHT-MGBGTMOVSA-N 474.631 2.044 30 10 JEEE CNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(OC)nc2OC)C1 1769199642 GXEZUDAKMGSFKT-SFHVURJKSA-N 461.526 2.240 30 10 JEEE C[S@](=O)C1(Cn2c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CCO[C@@H](C#N)C2)CCC1 1770366858 HYUDSCIAUPILPM-AHGNSDIGSA-N 492.646 2.423 30 10 JEEE C=CCNC(=O)NS(=O)(=O)c1ccc(CCNC(=O)COc2ccccc2Cl)cc1 1858974340 WVTULBGXTARWJN-UHFFFAOYSA-N 451.932 2.252 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(O)cc2)cc1OC 1862572112 WOYZQXNBPAURST-JOCHJYFZSA-N 468.506 2.320 30 10 JEEE COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CCO)cc(Br)c1O 1862636848 PTNKHMICRFVCIX-KRWDZBQOSA-N 492.278 2.463 30 10 JEEE O=C(C1=C(O)C(=O)N(CCCO)[C@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccc(F)cc1 1862684988 LFJQWZJPXKSYLT-IBGZPJMESA-N 458.398 2.466 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)COc2cccc3c2C(=O)N(CCCOC)C3=O)nc1C 1865823414 RJRFWQZZTXEKIS-UHFFFAOYSA-N 473.507 2.444 30 10 JEEE CC(=O)n1ncc2c(C(=O)Nc3c(C#N)nnn3Cc3cc([N+](=O)[O-])cc4c3OCOC4)cccc21 1870111493 QANMTSJZZCYMKT-UHFFFAOYSA-N 488.420 2.235 30 10 JEEE CC(=O)Nc1ccc(-n2nnc(C#N)c2NC(=O)CCCN2C(=O)c3ccccc3C2=O)cc1 1870144278 VXVICEDDFIMNAD-UHFFFAOYSA-N 457.450 2.112 30 10 JEEE N#Cc1ccc(COc2cn(CCc3ccc(F)cc3)c(CN(CCO)CCO)cc2=O)cc1 1870348080 IGWVDBMMFQBCBG-UHFFFAOYSA-N 465.525 2.467 30 10 JEEE CC(C)(C)OC(=O)N1CC(n2cc(C(=O)N3C[C@H]4[C@H](B5OC(C)(C)C(C)(C)O5)[C@H]4C3)nn2)C1 2180986539 DGANLNDHRSRGRP-QLPKVWCKSA-N 459.356 2.234 30 10 JEEE CC1(C)OB(c2cc(C(=O)NCC3CN(C(=O)OCc4ccccc4)C3)ns2)OC1(C)C 2243386843 IQAHRSFITTXXBY-UHFFFAOYSA-N 457.361 2.441 30 10 JEEE C[C@@H](O)CN(CCNC(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2255706329 HOSNMYLOJTXPAB-CQSZACIVSA-N 454.398 2.395 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)sc1CNC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)O 2256626146 GOCMKQKKXMDMDP-BBRMVZONSA-N 454.398 2.246 30 10 JEEE Cc1cc(C(=O)N2C[C@H](O)C[C@H]2CNC(=O)OC(C)(C)C)sc1B1OC(C)(C)C(C)(C)O1 2267232733 WGNJZXXIOHNZQQ-LSDHHAIUSA-N 466.409 2.456 30 10 JEEE COC1(CCNC(=O)OC(C)(C)C)CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)C1 2267285180 HRVFSVKBNVFEBA-UHFFFAOYSA-N 450.341 2.335 30 10 JEEE C[C@H]1CN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)CC[C@H]1NC(=O)C(F)(F)F 2267366378 FODAAKCARFPNKO-WCQYABFASA-N 482.355 2.125 30 10 JEEE CC(C)[C@](C)(CNC(=O)OC(C)(C)C)NC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2267523583 DRTCYZSJGFTGOM-QFIPXVFZSA-N 450.389 2.389 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CC[S@](=O)(=NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267592499 NCKWALVMEKCOBN-BBFFTDKLSA-N 465.381 2.286 30 10 JEEE Cc1cc(C(=O)N2C[C@@H](NC(=O)OC(C)(C)C)C[C@@H](O)C2)sc1B1OC(C)(C)C(C)(C)O1 2267605585 WDCILOCIKQXACH-LSDHHAIUSA-N 466.409 2.456 30 10 JEEE CN(C(=O)OC(C)(C)C)C1CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2267707402 QCPIALSZPVJOAY-UHFFFAOYSA-N 470.372 2.365 30 10 JEEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(O)cc1O 2267805279 HQEVOAQSFBXFHC-CHWSQXEVSA-N 450.341 2.429 30 10 JEEE CO[C@H](C)[C@H](CC(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1)NC(=O)OC(C)(C)C 2268650691 QVVQUHWTQOASSF-HIFRSBDPSA-N 469.413 2.377 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2F)CCO1 2281760961 ZZGHZBBSZNBXRA-INIZCTEOSA-N 464.343 2.491 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](O)CN1C(=O)c1cccc(F)c1B1OC(C)(C)C(C)(C)O1 2281782527 XSGHJQAWBRUROK-GJZGRUSLSA-N 464.343 2.225 30 10 JEEE Cn1cc(C(=O)NC[C@@H]2C[C@H]3CC[C@H]2N3C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2281971259 IXSVMYASSPPWRV-ZMSDIMECSA-N 460.384 2.237 30 10 JEEE Cn1cc(C(=O)N[C@H]2[C@@H]3[C@@H]2CCCCN3C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2281980698 KJQDZGMOPFVQPS-OIISXLGYSA-N 460.384 2.237 30 10 JEEE Cc1c(C(=O)N=[S@@](C)(=O)C[C@@H](C)NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281984074 CGAHKJMBVAHEQX-AYIMHOFYSA-N 484.428 2.179 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@](C)(CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2282095617 FQVVTMROMJPAHB-QHCPKHFHSA-N 461.368 2.137 30 10 JEEE CC(C)(C)OC(=O)N1CC(c2n[nH]c(NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)c[nH]3)n2)C1 2282199179 HCSPKYVOEFUBAK-UHFFFAOYSA-N 458.328 2.019 30 10 JEEE C[C@H](NC(=O)c1ccc(F)cc1B1OC(C)(C)C(C)(C)O1)C1(O)CN(C(=O)OC(C)(C)C)C1 2282399780 SKGFLHYLAAKCNG-AWEZNQCLSA-N 464.343 2.225 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](O)CN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1F 2282400086 CHZSQWCXXBKYSH-HZPDHXFCSA-N 464.343 2.225 30 10 JEEE C[C@@H]1CCCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)[C@@H]1CNC(=O)OC(C)(C)C 2282533414 KZMICJJFHYEPOM-NVXWUHKLSA-N 462.400 2.485 30 10 JEEE CCn1cc(C(=O)N2C[C@@H](C)[C@H](CNC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2282541358 WVOQTTQYORHYEV-HZPDHXFCSA-N 462.400 2.435 30 10 JEEE Cn1cc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)[C@H]3CCC[C@@H]23)nc1B1OC(C)(C)C(C)(C)O1 2282551733 FUHFORBALHIQHR-UXLLHSPISA-N 460.384 2.237 30 10 JEEE CC[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2282553812 UQWKAZZLQMFQAD-HOTGVXAUSA-N 462.400 2.485 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC2CC3(C2)C[C@H]3NC(=O)OC(C)(C)C)n1 2282587599 ADVLXQQFEGEMOP-JNJNIUAWSA-N 460.384 2.378 30 10 JEEE Cc1c(C(=O)N2C[C@H](C)[C@H](CNC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282599007 NIAQVKSOELPLSK-GOEBONIOSA-N 462.400 2.261 30 10 JEEE Cn1nc(C(=O)N[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C23CCC3)cc1B1OC(C)(C)C(C)(C)O1 2282623083 CAENKIHSLBAOHI-JKSUJKDBSA-N 460.384 2.285 30 10 JEEE Cc1sc(C(=O)NC2(C(=O)O)CN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1C 2282638265 KMQGBSNRKGWDIW-UHFFFAOYSA-N 480.392 2.468 30 10 JEEE CC(C)(C)OC(=O)N[C@@]1(CO)CCCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2282665696 CDWSPMJREQCPKV-DEOSSOPVSA-N 460.380 2.478 30 10 JEEE CC(C)(C)OC(=O)N[C@@]12CCC[C@@H]1CN(C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)C2 2282693644 BLKLWTUXJZESLV-IQMFZBJNSA-N 458.368 2.295 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H]1CCCN2C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2283061817 NEKWMTLMBHSHMG-HZPDHXFCSA-N 458.368 2.390 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2CN(C(=O)c3nccnc3B3OC(C)(C)C(C)(C)O3)C[C@@H]21 2283063783 XJUJJZDEORRMNW-HRCADAONSA-N 458.368 2.151 30 10 JEEE CC(C)(C)OC(=O)N1[C@H](C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)C[C@@H]2OCC[C@@H]21 2283966135 UAPMLLAWELLZFU-JYJNAYRXSA-N 479.408 2.225 30 10 JEEE Cc1nc(NC(=O)[C@@](C)(NC(=O)C(F)(F)F)C(F)(F)F)ncc1B1OC(C)(C)C(C)(C)O1 2284015691 QUOJGSBZUCWNGY-OAHLLOKOSA-N 470.179 2.022 30 10 JEEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)N2CCC(NC(=O)C(F)(F)F)CC2)OC1(C)C 2286110664 BBLMEQXUPLTYQT-UHFFFAOYSA-N 496.744 2.471 30 10 JEEE CCc1nn(C)c(C(=O)NC[C@@H]2CC[C@@H]2NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2287574998 TVHMDXNRHRGFGE-HOCLYGCPSA-N 462.400 2.315 30 10 JEEE COc1ccc(OCc2nnc(SCC(N)=O)n2N=Cc2ccc(OC)c(OC)c2)cc1 2328371777 UABPAKNBQHFSHG-UHFFFAOYSA-N 457.512 2.343 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@H](C(=O)N=c3nc(B4OC(C)(C)C(C)(C)O4)[nH]s3)C[C@H]21 2334390355 VLTLRQRMOCTCEK-AAVRWANBSA-N 464.397 2.137 30 10 JEEE CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@](C(=O)O)(N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C1 2346931386 PPJTXQYARNHEBM-ROKPMTFOSA-N 458.559 2.176 30 10 JEEE Cc1nc(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)s1 2359267087 OIIPHNYUTYZGHF-QLFBSQMISA-N 479.408 2.115 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)n1C 2362333498 UDTDLSHDKDLYEQ-GOEBONIOSA-N 462.400 2.403 30 10 JEEE COCCOCCN(Cc1ccccc1)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nc(C)n1C 2362572181 XLIJZWNNOOSEQH-UHFFFAOYSA-N 457.380 2.333 30 10 JEEE Cc1cc(CNC(=O)[C@H]2COC[C@H]2NC(=O)OC(C)(C)C)cc(B2OC(C)(C)C(C)(C)O2)c1 2369675219 DRWSJULKRODXFF-RBUKOAKNSA-N 460.380 2.450 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)Nc3cc(S(=O)(=O)N4CCCC4)ccc3O)cc2C1=O 17360350 PYNGHJHOJYSAQO-UHFFFAOYSA-N 455.492 2.211 30 10 JEEE COc1ccccc1CNC(=O)CSc1nnc(N/N=C/c2c(C)nn(C(C)C)c2C)n1N 20911477 BAVRBAYAZQIEKU-BHGWPJFGSA-N 471.591 2.249 30 10 JEEE C=CCn1nc(C)c(/C=N/Nc2nnc(SCC(=O)c3ccc(OC)c(OC)c3)n2N)c1C 59829869 AAZFLNKGYNSVKT-FOKLQQMPSA-N 470.559 2.429 30 10 JEEE CCOC(=O)C1CCN(c2nc3c(c(=O)[nH]2)[C@H](c2cccc(OCC)c2)[C@@H](C#N)C(=O)N3)CC1 72444767 PRAYKETVHDEPPT-QZTJIDSGSA-N 465.510 2.172 30 10 JEEE O=C(NCC#CCOc1ccc2cccnc2c1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 90743427 UCGHJLNJWLDZJJ-UHFFFAOYSA-N 465.531 2.068 30 10 JEEE COc1cc([C@H]2/C(=C(/O)c3ccco3)C(=O)C(=O)N2CCCN2CCOCC2)cc(OC)c1OC 103110320 XAWNUDRSBBFOIF-AGGMBTAESA-N 486.521 2.449 30 10 JEEE COC(=O)C1=C(C)N=c2sc(=Cc3ccc(OCC#N)c(OC)c3)c(=O)n2[C@H]1c1ccccc1 254736114 DOHRFZHTJLRZQS-QFIPXVFZSA-N 475.526 2.319 30 10 JEEE C=CC1(CC(=O)NCCN(C)S(=O)(=O)c2ccc(F)cc2)CN(C(=O)OC(C)(C)C)C1 1139556105 OBJZIFXRHURZSC-UHFFFAOYSA-N 455.552 2.376 30 10 JEEE N#Cc1ccncc1C(=O)N1CCCN(S(=O)(=O)c2ccc(Br)s2)CC1 1151827457 BODXMJFPYPGGSJ-UHFFFAOYSA-N 455.359 2.314 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](CO)c2ccc(Br)cc2)s1 1160058913 FXCZYNOFMHUDJU-OAHLLOKOSA-N 459.387 2.367 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1nnc(C(C)(C)C)s1)[C@@H]1CCS(=O)(=O)C1 1286387705 UNGCIAPZUZCGSX-MRXNPFEDSA-N 471.612 2.164 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1CCCCCN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1286389522 LOKQFPHBRSDKFX-FQEVSTJZSA-N 471.631 2.018 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1[C@H]1C[C@H](c2ccccc2C)C1 1286409025 HTPRBWYQMATJEV-KCZVDYSFSA-N 467.595 2.111 30 10 JEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CC(F)(F)F)CC1 1286495781 FGYDAHDJAOOVFC-ZDUSSCGKSA-N 453.556 2.424 30 10 JEEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 1286509529 SNIFQMHNYWTDFA-HKUYNNGSSA-N 479.697 2.491 30 10 JEEE C=C(C)Cn1c(N2CCCN(CC(=O)N(CC)CC)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1286599432 UUNWBQNRUFZJJJ-XMMPIXPASA-N 462.639 2.275 30 10 JEEE C=C(C)COCCn1c(CC2CCCC2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1286612244 XBGISJDIERGXCD-UHFFFAOYSA-N 453.591 2.424 30 10 JEEE C=C(Cn1c([C@@H](C)OCCOC)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1)c1ccccc1 1286615137 GWXXWEQUMUTSMJ-NQIIRXRSSA-N 482.585 2.482 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[C@](C)(O)c2ccccc2)CC1 1286646903 XGCLICBVWJRIOJ-REWPJTCUSA-N 475.615 2.065 30 10 JEEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1286769204 WYBYJOASGJDZGZ-UHFFFAOYSA-N 497.003 2.427 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N(C)CC1COC(C)(C)OC1 1286779869 NTCKWTBVOYEPFS-UHFFFAOYSA-N 459.547 2.100 30 10 JEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](CN2CCCC[C@H]2C)C1 1286823335 MHNLSKHCSUFOHT-RTWAWAEBSA-N 492.690 2.092 30 10 JEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1286832918 QRXXBUKDTASFJE-BFHYXJOUSA-N 454.540 2.255 30 10 JEEE CNc1cc(N2CCC[C@@H]2Cn2c(C(=O)NC(C)C)nnc2N(C)Cc2ccc(C#N)cc2)ncn1 1299290281 IBAHJMAPXSWOMO-HXUWFJFHSA-N 488.600 2.425 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1CCCN(C)S(=O)(=O)CC 1300276365 LPTBWXIJBZASRF-AWEZNQCLSA-N 471.425 2.176 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1(S(C)(=O)=O)CC1 1300328057 HPTSPZQPCNLJHA-HRCADAONSA-N 451.593 2.084 30 10 JEEE C#CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1300338195 AXJKHOCNBPJTGJ-HXUWFJFHSA-N 489.584 2.483 30 10 JEEE C#CCN(c1nnc(C(C)C)n1Cc1cccnc1OCC(F)F)[C@@H]1CCS(=O)(=O)C1 1300483362 JMESZWSIKMEJMG-MRXNPFEDSA-N 453.515 2.115 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1CC1(CCOC)CC1)[C@H]1CCS(=O)(=O)C1 1300499164 QJYMXRRYESLIGA-IBGZPJMESA-N 460.575 2.451 30 10 JEEE C#CCN(CC#C)c1nnc(CSc2ccccc2OC)n1CC(=O)NCC(F)(F)F 1300547068 CZJXNHUPQHTEDL-UHFFFAOYSA-N 451.474 2.330 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@H](c2cccc(C)c2)N2CCOCC2)CC1 1300731332 OOUINPUCRPJQEI-XMMPIXPASA-N 494.640 2.162 30 10 JEEE C#CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](C)C1 1300763408 PBSQDZVCXQDMCB-IAGOWNOFSA-N 451.593 2.178 30 10 JEEE C=CCn1c(-c2cc(Br)cn2C)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1301434417 QBDUUINUYADYRH-INIZCTEOSA-N 476.423 2.365 30 10 JEEE C=CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1301595393 TUVWKFZCPCVKLJ-IEBWSBKVSA-N 473.599 2.427 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1(O)CCN(C(C)C)CC1 1358889829 HHEMYDLFXAEBEA-HXUWFJFHSA-N 466.634 2.145 30 10 JEEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(CC(=O)NC)CC1 1358930536 XFKMKIRUDOZOFS-LJQANCHMSA-N 474.606 2.352 30 10 JEEE C#CCN(c1nnc([C@H]2COc3ccccc3O2)n1CCCN(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1358963032 AOPYTYNTZSCFOM-SIKLNZKXSA-N 487.626 2.148 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCCN1CCCO 1359014881 AKQYEWPYFGEBET-QFIPXVFZSA-N 468.577 2.140 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2CC2CCN(C(=O)OC)CC2)CC1 1359032056 ZIXLUYLYTPJEFH-UHFFFAOYSA-N 452.559 2.187 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@H](C)N2CCOCC2)CC1 1359041090 MXPMWGUJGKYCTN-VQTJNVASSA-N 498.603 2.244 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2Cc2nc(C)cs2)CC1 1359046280 LOSMOORZFSOGDY-UHFFFAOYSA-N 455.613 2.413 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cnn(C)c2)n1CCOc1ccc(S(C)(=O)=O)cc1 1359068985 WQNJGMZWDZBINX-JOCHJYFZSA-N 454.556 2.153 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCC[C@H](CC(N)=O)C1 1359295764 NALSWMBISUQSBT-CQSZACIVSA-N 491.390 2.110 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1C[C@@H](C(=O)NCCCC)CC[C@H]1C 1359298796 MLLXMDDVEWHIFD-MOPGFXCFSA-N 453.591 2.472 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1359303528 RODJWGATCDSLOR-UHFFFAOYSA-N 471.675 2.227 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(N(C)C)cc2C)C1 1359313949 UDWGMCGKXRULSM-PXNSSMCTSA-N 462.620 2.092 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1359330635 XXRAQJJOZJGDCT-HNNXBMFYSA-N 461.510 2.432 30 10 JEEE Cc1cccc(O[C@H](C)c2nnc(N3CC[C@@](F)(C#N)C3)n2CCS(=O)(=O)N(C)C)c1C 1360872854 BVFMDIHWMDWZBD-DYESRHJHSA-N 464.567 2.368 30 10 JEEE CC(=O)c1ccc(S(=O)(=O)NCC(=O)N2CCC(B3OC(C)(C)C(C)(C)O3)CC2)cc1 1455322682 NENDMQMWJJHDSH-UHFFFAOYSA-N 450.366 2.252 30 10 JEEE CN(C)C(=O)Nc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(CC#N)CC2)cc1 1503377883 IAVXHXWANLTBBD-LJQANCHMSA-N 485.614 2.452 30 10 JEEE Cn1cccc1-c1nnc(N2CC[C@@](F)(C#N)C2)n1CCOc1ccc(S(C)(=O)=O)cc1 1503664183 BMRGOBXFNZDUDI-OAQYLSRUSA-N 458.519 2.208 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1Cc1cc(C(C)(C)C)no1)[C@@H]1CCS(=O)(=O)C1 1507622384 IHLBBVMBFVWHIC-QGZVFWFLSA-N 490.630 2.157 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1Cc1ccc2c(c1)CCCO2)[C@H]1CCS(=O)(=O)C1 1507623018 OBFGKGRLFQIQMN-NRFANRHFSA-N 499.637 2.197 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1cccc(COC)c1)[C@H]1CCS(=O)(=O)C1 1507630590 CTNLQEVBROLNRX-NRFANRHFSA-N 465.579 2.470 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(C(=O)N(C)C)CCCC1 1507706266 KHZRUBSDSCNZRJ-UHFFFAOYSA-N 487.626 2.083 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCOCC(F)F)CC1 1507718266 NCNQDDKMKLJEOX-UHFFFAOYSA-N 457.323 2.463 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3nn(C(C)C)c(=O)c4ccccc34)n2CCOCC)CC1 1507738314 MXKWJDGEGVJWDK-UHFFFAOYSA-N 491.596 2.238 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CCc2ccc(OC)cc2OC)CC1 1507739618 JMTAMTQICFOFSG-UHFFFAOYSA-N 451.571 2.456 30 10 JEEE C=CCCCCn1c(-c2cccc(Br)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1507927181 YIYZWDXEDKCGLO-QGZVFWFLSA-N 473.375 2.211 30 10 JEEE C=CCCOCCn1c(-c2cc(Br)cn2C)nnc1N1CCN2C(=O)CC[C@H]2C1 1507958248 RSTOMZQDEAZARS-INIZCTEOSA-N 463.380 2.450 30 10 JEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(NC(=O)CC(C)C)c1 1507983803 SBZHSXYMYLBKEN-HXUWFJFHSA-N 490.630 2.266 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCC(CN2CCOCC2)CC1 1508137003 KCQZSPLZODGSPH-UHFFFAOYSA-N 477.606 2.234 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCC[C@H](n3nc(C)cc3C)C2)nnc1[C@]1(OCC)CCOC1 1508149724 WNUVYMLLNJPVKY-REWPJTCUSA-N 492.646 2.186 30 10 JEEE C=CCSCCn1c(N2CCN3C(=O)OC[C@]3(C)C2)nnc1[C@]1(OC(C)C)CCOC1 1508167383 IIVJMRVUPJDUTO-SFTDATJTSA-N 451.593 2.269 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccc2sccc2c1)[C@H]1CCS(=O)(=O)C1 1539200979 UGHVCIZTYISSGN-SFHVURJKSA-N 471.608 2.306 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC(C)(C)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1539220329 ISGWGHKUTLEHFV-MSOLQXFVSA-N 495.646 2.102 30 10 JEEE C#CCN(CC#CC)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H]1CC(=O)N(CCOC)C1 1539328426 SDNIMDBJQGWRKH-HXUWFJFHSA-N 453.974 2.480 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1CCN1CCN(C)C(C)(C)C1 1539400975 OGTXCDAFVOLTJW-UHFFFAOYSA-N 478.439 2.148 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CC(=O)N(C)C)CC1 1539461569 HRHGHLQVAWHXTD-UHFFFAOYSA-N 451.358 2.007 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2OC)nnc1N1CCN(CCOC)C(=O)C1 1539626967 HPGVWIKBTJWMGQ-GCJKJVERSA-N 455.559 2.230 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](C#N)C1 1539629626 BBOSJUCLTXFGDG-ZRNYENFQSA-N 488.589 2.296 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC(=O)NCC(F)(F)F)C1 1540886464 DKSBMEPNTWXBDZ-HNNXBMFYSA-N 469.464 2.422 30 10 JEEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@](O)(c2cccc(F)c2)C1 1540909860 QVCUREGVBVZUET-FOIQADDNSA-N 469.608 2.045 30 10 JEEE C=CCSCCn1c(N2C[C@H](C)[C@@H](N3CCOCC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1540922531 QHWYJNYTSPPRTC-SXWKCWPCSA-N 465.664 2.395 30 10 JEEE CCOc1ccc(O[C@H](C)c2nnc(N3CCO[C@@H](C#N)C3)n2CCCN2CCOCC2)cc1 1547977830 DQKWUDAVEVRFJJ-KNQAVFIVSA-N 470.574 2.268 30 10 JEEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1587701403 BDYKJICFFPBCSQ-UHFFFAOYSA-N 461.574 2.175 30 10 JEEE C#CCCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(NS(C)(=O)=O)CC1 1587766327 RXPQJWQRCWXEAJ-HXUWFJFHSA-N 459.572 2.112 30 10 JEEE C#CCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC[C@H](CC(N)=O)C1 1587878947 LJKZRBGEPSBJJJ-JOCHJYFZSA-N 463.630 2.148 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2cccc(C)c2C)n1CC(=O)NCCC)[C@H]1CCS(=O)(=O)C1 1588029685 KQVDXWVOTCTZMT-PMACEKPBSA-N 487.626 2.188 30 10 JEEE C#CCN(CC#C)c1nnc(Cc2ccccc2OC)n1C[C@H]1CCCN1c1cc(NC)ncn1 1588148920 AOSDMFVBINSQTC-OAQYLSRUSA-N 470.581 2.451 30 10 JEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CC1(N(C)C)Cc2ccccc2C1 1588158525 FVBXZUDTSZXTEI-UHFFFAOYSA-N 472.618 2.442 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCC2(O)CCOCC2)CC1 1588907358 ARNJMDORRODBJZ-UHFFFAOYSA-N 471.989 2.496 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1589557234 HDJQLIZOHRDWNB-OFVILXPXSA-N 481.645 2.236 30 10 JEEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)Nc2ccc(C)cn2)CC1 1593636653 PJUSFBSENDICCR-GOSISDBHSA-N 458.588 2.315 30 10 JEEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2cc(F)cc(F)c2C1 1593746851 OOATVIFVIIRINX-FQEVSTJZSA-N 497.568 2.045 30 10 JEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](C(CC)CC)N2CCOCC2)CC1 1594014212 QGTXUURZHMUYHQ-UYAOXDASSA-N 468.668 2.182 30 10 JEEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 1594625951 JEQFZJBOQRGWNA-HXUWFJFHSA-N 486.642 2.297 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1 1595523281 RUYREKSFAIBLRA-HKUYNNGSSA-N 469.590 2.422 30 10 JEEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@@H](CNC(=O)CCC)C1 1595537425 QUYGZQBAURZEGK-KRWDZBQOSA-N 492.584 2.029 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1595785310 WRXMDADSYBZWBH-INIZCTEOSA-N 489.577 2.260 30 10 JEEE CCOc1ncccc1Cn1c(COc2ccc(OC)cc2)nnc1N1CCO[C@@H](C#N)C1 1616509493 HWUQZSJIALTUQX-FQEVSTJZSA-N 450.499 2.436 30 10 JEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H](C)CNC(=O)OC(C)(C)C 1634768341 DFVPNYJNZNGATR-ZBFHGGJFSA-N 452.577 2.313 30 10 JEEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NCC(C)(CO)CO)c1 1637667476 FXXNLGKXFZACGB-UHFFFAOYSA-N 452.960 2.442 30 10 JEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C(F)(F)F)cc1 1644786622 QCTXIKCSMHRAFJ-WOJBJXKFSA-N 465.497 2.391 30 10 JEEE C[C@H](NC(=O)N1CCN(c2ccc(C#N)nc2)CC1)c1cc(F)ccc1N1CCN(C)CC1 1678005876 BHRFHSMCAOGNOE-SFHVURJKSA-N 451.550 2.437 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2C[C@H]2CCCS(=O)(=O)C2)c1 1689870162 DIRULJIBKBHQHB-LJQANCHMSA-N 480.594 2.165 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2CCC(=O)NC(C)C)c1 1689872167 QDYHPURZPOFMJR-LJQANCHMSA-N 452.559 2.143 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCCn1ccc2ccccc21)[C@@H]1CCS(=O)(=O)C1 1689977842 FEISXXSJFDOQQN-HXUWFJFHSA-N 482.610 2.088 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[C@@H]1CCOc2ccccc21 1690032445 BLKHBYMKALNBTA-RTBURBONSA-N 455.584 2.308 30 10 JEEE C#CCN(CC#CC)c1nnc(CCCOc2ccc(Cl)cc2C)n1Cc1nnn(C)n1 1690053163 ZYPAVCQFVHZYIU-UHFFFAOYSA-N 452.950 2.286 30 10 JEEE C#CCN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1690061070 QGMOZBWOXPHGSJ-WIYYLYMNSA-N 473.540 2.431 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1cccnc1OCCOC 1690072689 PYYCBIRNQJGYJE-UHFFFAOYSA-N 473.537 2.120 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2CC2(N(C)C)CCC2)CC1 1690141961 FYVNOJSDTMNCNC-UHFFFAOYSA-N 450.587 2.404 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1690250070 CRCAOLPBXHPCIV-OPYAIIAOSA-N 474.606 2.485 30 10 JEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(c2ccccc2CO)CC1 1690485355 QIWWOQIPZIUEAD-JOCHJYFZSA-N 489.642 2.454 30 10 JEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)c1cccc(Cl)c1)C1CC1 1690545246 MHISCEVWQLYDTF-DENIHFKCSA-N 496.033 2.327 30 10 JEEE CC(C)[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1691549863 AIHUOJQQJLTWLS-AREMUKBSSA-N 479.629 2.358 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(C(N)=O)CCOCC1 1692660723 FHHOWYPSRLENKK-ROUUACIJSA-N 489.621 2.413 30 10 JEEE CC[C@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1694212101 FTRKCMPAINTBIR-IBGZPJMESA-N 493.612 2.197 30 10 JEEE CN1CCC[C@@H]1C(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[S@@](=O)C(C)(C)C)CC1 1696880658 ANURXQLPKFVGPM-SMWWQBHQSA-N 497.669 2.107 30 10 JEEE CS(=O)(=O)Cc1ccc(Cn2c(Cc3cccnc3)nnc2N2CC[C@@](F)(C#N)C2)cc1 1698302002 AQHCXWHAIUZUSP-JOCHJYFZSA-N 454.531 2.299 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCn1cc(C)cn1 1705631061 QPXYMXPXUJPDTC-KDURUIRLSA-N 457.579 2.340 30 10 JEEE C#CCSCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCO[C@@H](C(=O)NC)C1 1705654644 OZRLRCRDLDUHAV-DOTOQJQBSA-N 459.641 2.449 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(OC)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1705710216 VZAMIZFEIDONPY-AGHHOFFYSA-N 476.599 2.470 30 10 JEEE C=CCN(CCc1ccco1)c1nnc(-c2cccn2C)n1CC1(O)CCS(=O)(=O)CC1 1705880854 SEHVFZQVINYKGZ-UHFFFAOYSA-N 459.572 2.051 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 1705936325 OFBNPCXUQDXITJ-HOTGVXAUSA-N 488.536 2.440 30 10 JEEE CC(C)C[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1)N(C)C 1706369187 BRCBKRPOYJSMBA-PZJWPPBQSA-N 474.631 2.328 30 10 JEEE C[C@H]1CN(C(C)(C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCS(=O)CC2)C[C@H](C)O1 1708146510 FDJJRQMMZJQWIV-OALUTQOASA-N 486.642 2.185 30 10 JEEE CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cc(C)on2)CC1 1708632675 ASKIQBHPZUDQFN-KRWDZBQOSA-N 462.558 2.198 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@H]1CCCN1CCCO 1722296084 ZPFZSIKFNKQUDR-VQTJNVASSA-N 477.613 2.370 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H]1CCCOC1)[C@H]1CCS(=O)(=O)C1 1722360060 YUNPUJYIYZFDQA-CTNGQTDRSA-N 485.610 2.201 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCN1CCCCCC1)[C@@H]1CCS(=O)(=O)C1 1722365327 DEWRUWUGKZMZLE-HXUWFJFHSA-N 456.616 2.151 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1c[nH]c2ccccc12 1722395727 AZOJLDHXIFPOQS-QHCPKHFHSA-N 494.621 2.188 30 10 JEEE C#CCN(CC#CC)c1nnc(Cc2csc(C)n2)n1CCNS(=O)(=O)c1ccc(C)s1 1722399388 OCMDQSFSCGQRNM-UHFFFAOYSA-N 488.664 2.445 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CC2(SC)CCOCC2)CC1 1722445467 RBBYSZAPBMBXNK-UHFFFAOYSA-N 456.616 2.162 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CC(=C)Br)CC1 1722446006 IYJXYXZVKLIOKP-UHFFFAOYSA-N 496.369 2.468 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)NCc1ccco1 1722656903 LHFFNIUXKGHFDZ-FQEVSTJZSA-N 494.577 2.154 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCc1cnn(C)n1 1722659608 XZVROXZPBLJFGE-IBGZPJMESA-N 455.588 2.134 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(C)CC1 1722726468 ALKWUCRBKINHHL-UHFFFAOYSA-N 456.572 2.029 30 10 JEEE C[C@H]1CN(CCCn2c(COc3ccc(C#N)cc3)nnc2N2CCO[C@@H](C)C2)CCCO1 1726733100 AMWYIMFNIXRLRO-PMACEKPBSA-N 454.575 2.455 30 10 JEEE C#CCCCCn1c(N(CC#C)[C@H]2CCS(=O)(=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740579889 OCNJJJAPJTZKDV-ZCNNSNEGSA-N 489.642 2.479 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCOc2cccc(C)c2)CC1 1740709320 DUWSTAHLVCIXBO-GMAHTHKFSA-N 481.597 2.355 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1740767703 QERBZQWVALGXSS-XMSQKQJNSA-N 493.605 2.449 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCCCO2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1740795010 MDPKJJYDSNPQTL-PKTZIBPZSA-N 476.666 2.344 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1740816433 FFPBVSVTXXOLNK-QZTJIDSGSA-N 479.025 2.220 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N(C)CC(=O)N(C)[C@H](C)c1ccccc1 1740959067 ZHNRITGPZXSKEQ-QUCCMNQESA-N 454.575 2.130 30 10 JEEE CCC[C@@H]1C[C@H]1n1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1745856470 BGFRRSZPKFJRMU-DUXKGJEZSA-N 471.631 2.443 30 10 JEEE CNC(=O)CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(N(C)C)CCOCC2)CC1 1748229072 GKROLAOOGLDCDJ-UHFFFAOYSA-N 465.602 2.280 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2Cc2ncnn2C(C)(C)C)c1 1748692213 DUCLCEWMXCKPIS-GOSISDBHSA-N 462.558 2.233 30 10 JEEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)c1nccs1 1748717631 DYZGICODCRENIE-IRXDYDNUSA-N 466.633 2.111 30 10 JEEE C#CCN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H](C)CN1CCOCC1 1748906899 ZLXKLDQVXUSYCE-GOSISDBHSA-N 458.994 2.289 30 10 JEEE C#CCN1CCN(c2nnc(-c3noc4c3COCC4)n2C[C@@H](C)N(CC)C(=O)OC(C)(C)C)CC1 1748987475 XXODFTQVOXZVPJ-GOSISDBHSA-N 499.616 2.407 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2CCCn2cc(Br)cn2)CC1 1748989957 DYVULJBLYVRKHN-SFHVURJKSA-N 462.396 2.324 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](C(=O)NC)C1 1749135033 BKKSNJMALBMKRB-HLIPFELVSA-N 472.615 2.213 30 10 JEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(N3CCC(OC)CC3)CCCC2)CC1 1749286384 JSOILOBWZVBRJN-IBGZPJMESA-N 480.679 2.468 30 10 JEEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H]1C(C)C 1749738068 DLIYYIWYJWIOLW-INIZCTEOSA-N 451.618 2.495 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H]1CCOc2ccccc21 1760115656 BDQWWBBCOYABCV-WFXMLNOXSA-N 473.599 2.025 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCC1(O)CCOCC1 1760120931 RCVLLEODYYPIAC-JOCHJYFZSA-N 466.630 2.032 30 10 JEEE C#CCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1760155478 ZBHRGVJLPFHBRN-DENIHFKCSA-N 466.586 2.241 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1CCN1CC=CCC1)[C@H]1CCS(=O)(=O)C1 1760181530 WZYSFQPBTMZZIZ-PMACEKPBSA-N 487.601 2.446 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccc(OCC2CC2)nc1)[C@@H]1CCS(=O)(=O)C1 1760181843 CEVFOFAQMKYPNB-LJQANCHMSA-N 457.600 2.434 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1C[C@@H](C)O[C@H](C)C1 1760247520 DTKMQMGPZHQFFL-QZTJIDSGSA-N 464.570 2.482 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)CC1 1760255242 FKJSLXJHSZNVCH-PMACEKPBSA-N 481.601 2.496 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2Cc2cccc(Cl)c2C)CC1 1760270961 GSNLGPVIJNWFDO-UHFFFAOYSA-N 468.989 2.376 30 10 JEEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](c2nc(C)c(C)s2)C1 1760510289 PLSVUNSCBUZVBE-IAGOWNOFSA-N 466.633 2.254 30 10 JEEE C=CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1760561698 JKEZYXUNAOVIAZ-UHFFFAOYSA-N 486.598 2.402 30 10 JEEE CC(C)(C)Cc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCS(=O)(=O)CC1CC1 1760758856 DCJMPGPVWIAEMT-UHFFFAOYSA-N 471.631 2.285 30 10 JEEE C=CCNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1ccc2nc(-c3cc(OC)ccc3OC)[nH]c2c1 1861421231 ZXIQCAMQUXDDGC-QRWLVFNGSA-N 450.495 2.125 30 10 JEEE C=CCNC(=O)[C@@H]1C[C@H](O)CN1C(=O)c1ccc2nc(-c3cc(OC)ccc3OC)[nH]c2c1 1861421232 ZXIQCAMQUXDDGC-YWZLYKJASA-N 450.495 2.125 30 10 JEEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCNC(C)=O)[C@H]2c2ccc(O)c([N+](=O)[O-])c2)c1 1862706332 UGCCCRWNHDVVSB-IBGZPJMESA-N 455.423 2.023 30 10 JEEE C=CCOc1ccccc1[C@H]1C(C(=O)NCCN2CCOCC2)=C(N)Oc2c1c(CC)nn2CC 1864327747 XTFRCCKFASQVIQ-OAQYLSRUSA-N 481.597 2.173 30 10 JEEE CS(=O)(=O)CC[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1C(=O)c2ccccc2C1=O 1865988843 OTYNKKFORHLNDR-INIZCTEOSA-N 457.533 2.146 30 10 JEEE C=CCn1cc(OCC(=O)Nc2ccc(C(=O)OCCC)cc2)c(=O)cc1CN(C)CCO 1870389464 QULSQMYAMZEERN-UHFFFAOYSA-N 457.527 2.043 30 10 JEEE C=CCn1cc(OCC(=O)OC(C)C)c(=O)cc1CN1CCN(Cc2ccc3c(c2)OCO3)CC1 1870477819 BLKOJWVYPLQZIL-UHFFFAOYSA-N 483.565 2.411 30 10 JEEE CCCCCCCCCCNC(=O)C1CCN(C(=O)[C@H]2CC(=O)N(CCNC(C)=O)C2)CC1 1872941198 KFALRVMSMXSIEJ-QFIPXVFZSA-N 464.651 2.467 30 10 JEEE C=CCn1c(C(=O)NCCN2CCOCC2)cc2c(N(CC)CCc3ccncc3)ncnc21 1873593753 HFEKEPKLFNLWLN-UHFFFAOYSA-N 463.586 2.143 30 10 JEEE COc1cccc(/C=N/n2c(SCC(N)=O)nnc2[C@@H]2CC(=O)N(Cc3ccccc3)C2)c1 1874209361 BYYIFNJEIUMVEZ-LLXCYVELSA-N 464.551 2.262 30 10 JEEE N#Cc1ccnc(OCC2CCN(C(=O)[C@H]3CC(=O)N(c4ccc5c(c4)OCCO5)C3)CC2)c1 1891499723 WJXXLRSTAGOZIL-IBGZPJMESA-N 462.506 2.395 30 10 JEEE N#Cc1cccnc1OC1CCN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 1892216054 OFKATGIFYKSHTJ-NRFANRHFSA-N 499.549 2.475 30 10 JEEE C#CCN(C(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 2059477411 LTCKOINMYBNERJ-MISYRCLQSA-N 464.584 2.134 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@H](CNC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)C[C@@H]1O 2060126971 CKBINWYDCCXHQG-YVSFHVDLSA-N 454.568 2.354 30 10 JEEE CON(CCNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2247954193 ZAJNFSDVFNWVOM-UHFFFAOYSA-N 462.399 2.124 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CCCN(C(=O)OCc3ccccc3)C2)n1 2255649550 UKHKVZAIRJIGSF-GOSISDBHSA-N 468.363 2.250 30 10 JEEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)Nc1nc(B2OC(C)(C)C(C)(C)O2)ccc1Cl 2256626915 PKXDVPIFLXNNFG-BXUZGUMPSA-N 455.748 2.247 30 10 JEEE CC(C)(C)OC(=O)NCC1(NC(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)CCOCC1 2267008421 GVAWLBXJXXLBRQ-UHFFFAOYSA-N 450.341 2.383 30 10 JEEE Cc1cc(C(=O)N2C[C@@H](O)C[C@H]2CNC(=O)OC(C)(C)C)sc1B1OC(C)(C)C(C)(C)O1 2267605598 WGNJZXXIOHNZQQ-GJZGRUSLSA-N 466.409 2.456 30 10 JEEE C=C(CS(=O)(=O)N1CCO[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]21)B1OC(C)(C)C(C)(C)O1 2267726881 RCPBSXCLPDBQAP-IAGOWNOFSA-N 472.413 2.214 30 10 JEEE CC1(C)OB(c2ccc(C(=O)NC[C@@H]3CNCCN3Cc3ccccc3)cc2F)OC1(C)C 2281780708 ZFUFNBLVWGKIFJ-FQEVSTJZSA-N 453.367 2.329 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2F)C1 2281791110 WYTFBZSMTYUMGQ-KBXCAEBGSA-N 464.343 2.083 30 10 JEEE Cc1c(C(=O)NC[C@@H]2C[C@H](C)N(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281985436 LUYJTBBBHWRWDA-HOCLYGCPSA-N 462.400 2.403 30 10 JEEE CS[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 2282002154 KSELGEKRRVKXQH-GJZGRUSLSA-N 480.440 2.108 30 10 JEEE C[C@@H]1CN(S(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CCCN1C(=O)OC(C)(C)C 2282291841 NFARLUUKCHANAB-MRXNPFEDSA-N 481.424 2.401 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CC2(CC(OCc3ccccc3)C2)C1 2282332612 DOJXSYQSQAZHMP-UHFFFAOYSA-N 473.404 2.089 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](O)CN1C(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1F 2282397959 UXUVQZAJKZRNNR-GJZGRUSLSA-N 464.343 2.225 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](O)CN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1F 2282400087 CHZSQWCXXBKYSH-JKSUJKDBSA-N 464.343 2.225 30 10 JEEE CON(C1CN(C(=O)OC(C)(C)C)C1)S(=O)(=O)c1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2282509028 FCRPYRPPABJUAJ-UHFFFAOYSA-N 486.371 2.296 30 10 JEEE CC1(C)OB(c2cnc(C(=O)N3CCC(CNC(=O)C(F)(F)F)CC3)c(F)c2)OC1(C)C 2282534629 HKWGZUBFWCXCRZ-UHFFFAOYSA-N 459.249 2.051 30 10 JEEE CCc1nn(C)c(C(=O)N[C@H]2[C@@H]3CN(Cc4ccccc4)C[C@@H]32)c1B1OC(C)(C)C(C)(C)O1 2282560709 OVTINTZCVQKBQF-WGMWDUQUSA-N 450.392 2.142 30 10 JEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(CCNC(=O)OC(C)(C)C)C2CCCC2)n1 2282623246 CZZMFKKQZUCOHT-UHFFFAOYSA-N 463.388 2.024 30 10 JEEE CC1(C)OB(c2c[nH]c(C(=O)N3C[C@@H](CNC(=O)C(F)(F)F)C4(CCC4)C3)c2)OC1(C)C 2282642758 RONFEZZCKZGZLN-CYBMUJFWSA-N 455.286 2.235 30 10 JEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)Nc2nc3c(s2)CN(C(=O)OC(C)(C)C)C3)n1 2282654831 MGXITMDDUZWHGV-UHFFFAOYSA-N 476.368 2.074 30 10 JEEE CN(C[C@H]1COCCN1C(=O)OC(C)(C)C)C(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282674526 LRVCKICGZOLPNW-SFHVURJKSA-N 461.368 2.089 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1S(=O)(=O)N(C)C[C@H](O)COCc1ccccc1 2282839229 AUAGSVUXBIGNQB-NRFANRHFSA-N 475.416 2.492 30 10 JEEE Cc1cc(S(=O)(=O)N2CC[C@H](C)[C@@H](NC(=O)C(F)(F)F)C2)sc1B1OC(C)(C)C(C)(C)O1 2282840875 KCUYZXSHFDGURX-AAEUAGOBSA-N 496.382 2.433 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC2CN(C(=O)OCc3ccccc3)C2)n1C 2315524712 CHENCRGYLYGUAO-UHFFFAOYSA-N 468.363 2.026 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](CN=c2cc(B3OC(C)(C)C(C)(C)O3)c(F)c[nH]2)CO1 2345712484 IVRLVERSZCMUCM-CABCVRRESA-N 451.348 2.284 30 10 JEEE COC(=O)C1(Oc2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)CN(C(=O)OC(C)(C)C)C1 2345740064 YUQCTQCFOAGFRJ-UHFFFAOYSA-N 452.288 2.061 30 10 JEEE CN(C(=O)OC(C)(C)C)[C@H]1CN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)CC1(C)C 2361512644 CWWWFICXBBUPAP-INIZCTEOSA-N 460.384 2.493 30 10 JEEE CC[C@@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)CC[C@H]1NC(=O)OC(C)(C)C 2362352235 BYDBNQMGAHCQQY-HZPDHXFCSA-N 462.400 2.485 30 10 JEEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN(Cc3ccc(OC)c(OC)c3OC)CC2)c1 30535621 BGVHNMVSHCEJTC-UHFFFAOYSA-N 489.594 2.135 30 10 JEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)[C@@H]2CCCN(C(=O)c3ccc(F)cc3)C2)CC1 32492408 PDTUHSNPONYRTN-HXUWFJFHSA-N 484.553 2.083 30 10 JEEE CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CCOCCO)[C@H]2c2ccccc2[N+](=O)[O-])cc1 102572543 CNYBNPJFFCOCSD-LCPUNJGISA-N 456.451 2.424 30 10 JEEE C[C@H]1C[C@H]2[C@@H]3CCC4=C(SCC(=O)O)C(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@]1(O)C(=O)CO 118939116 YNWPGLLPEDRZEY-PNYKMBBZSA-N 482.570 2.041 30 10 JEEE Cc1ccc(N2C(=O)[C@@H]3[C@H](c4ccc(C#N)cc4)N[C@](CC(=O)O)(C(=O)O)[C@@H]3C2=O)cc1Cl 248153935 KWJCNKFYQUHPEJ-KGYLXKDPSA-N 467.865 2.268 30 10 JEEE CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)N2CCN(c3ncccc3C#N)CC2)cc1 684154189 GKMISLDSRUGMIF-QFIPXVFZSA-N 481.578 2.048 30 10 JEEE C#Cc1cccc(-n2c(=C(C#N)C(=O)NCC=C)sc(=Cc3ccccc3OCC3CC3)c2=O)c1 726582266 AZLWJXMDVWMZHY-UHFFFAOYSA-N 481.577 2.474 30 10 JEEE CC(C)(C)C(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CCc1ccccn1 729672314 HZVVBJXTSOJPNL-UHFFFAOYSA-N 457.559 2.313 30 10 JEEE CC(=O)Nc1ccccc1NC(=O)CCSc1nnc(NN=Cc2cccc(O)c2)n1N 1084103087 YABMBNTUKGUTRD-UHFFFAOYSA-N 454.516 2.223 30 10 JEEE C=CCNc1ncc(C(=O)N2CCN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)CC2)s1 1136110146 ZIKAUGXVPDKPRR-UHFFFAOYSA-N 451.530 2.104 30 10 JEEE CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CCN([C@@H](C#N)C(C)C)CC1 1143456839 BVGHRWGUQFGZRI-UXHICEINSA-N 452.646 2.087 30 10 JEEE C#CCN(C(=O)Cn1ccc(Br)cc1=O)C1CCN(C(=O)OC(C)(C)C)CC1 1155367738 VLBZKBDAWJDPAU-UHFFFAOYSA-N 452.349 2.472 30 10 JEEE C#C[C@H]1CCCN(CC(=O)NCCN2C(=O)S/C(=C\c3ccc(OC)c(OC)c3)C2=O)C1 1195568565 QPOJTMHRBKGDOY-SMEDBKPVSA-N 457.552 2.202 30 10 JEEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 1286311409 HTGYWPUIQNTHKT-UHFFFAOYSA-N 471.650 2.037 30 10 JEEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1286339274 VAMVTMRFKXZAPH-OYRHEFFESA-N 485.677 2.236 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(Cl)s1)[C@@H]1CCS(=O)(=O)C1 1286382368 RIFSNMURXMGZCP-CQSZACIVSA-N 490.998 2.315 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1286423369 SJNOLYNQOIXZJU-QFQXNSOFSA-N 492.628 2.282 30 10 JEEE C#CCN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cccc(N2CCOCC2)n1 1286437671 QKHDYPNLVYBQRL-XMMPIXPASA-N 454.575 2.058 30 10 JEEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H]2CN(CC(C)C)CCO2)CC1 1286478273 BHFPWYJHIZGERM-FQEVSTJZSA-N 472.584 2.259 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(OC(F)F)cc2)CC1 1286490247 OMENZABTPZTCFT-UHFFFAOYSA-N 467.480 2.351 30 10 JEEE C#CCSCCn1c(-c2cccn2C)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 1286504991 VSKVFRHJSOMEQI-INIZCTEOSA-N 458.613 2.495 30 10 JEEE C#CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1286506076 PLXLMBRWBCFXRH-LJQANCHMSA-N 479.647 2.482 30 10 JEEE C=C1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2ccc(C(N)=O)nc2)CC1 1286646257 OCQICBDYHFHFJJ-IBGZPJMESA-N 483.573 2.285 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1286780210 RBJUVBYWMQJAFI-LJQANCHMSA-N 476.585 2.378 30 10 JEEE C=CCOc1ccc(Cn2c(CN3CCCC3=O)nnc2N(CC)[C@@H]2CCS(=O)(=O)C2)cc1 1286795470 BOXZPPRLKKKUBW-LJQANCHMSA-N 473.599 2.027 30 10 JEEE CC(=O)N1CCN(CCn2c(CC(C)(C)C)nnc2N2CCO[C@@H](c3cccc(C#N)c3)C2)CC1 1286889397 FQYSNKDCRYTKEF-HSZRJFAPSA-N 479.629 2.480 30 10 JEEE CC(C)N(CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@H](C#N)C1)C(C)C 1287959986 DEQQVUBGCFZORL-FQEVSTJZSA-N 489.646 2.043 30 10 JEEE CC(C)NS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@@](C)(C#N)C1 1288267404 AIUOTZVJYBKMCH-QFIPXVFZSA-N 474.587 2.174 30 10 JEEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCCS2(=O)=O)CCCO1 1291278864 DKXOJHRYFVBJQI-PXNSSMCTSA-N 459.572 2.311 30 10 JEEE CC[C@H](C)NC(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1291816130 CHHPDDLXCHTTSN-ROUUACIJSA-N 469.565 2.424 30 10 JEEE CCN1CCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1296059508 HNAYEEVCFMQATH-UWJYYQICSA-N 471.631 2.413 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CCOC1CCCCCC1)[C@@H]1CCS(=O)(=O)C1 1300483882 ORFLAHKBLAZZNY-YKSBVNFPSA-N 494.658 2.296 30 10 JEEE C#CCN(c1nnc(COCC)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1300504413 NIXWFDWSQAJLBS-VAMGGRTRSA-N 465.664 2.198 30 10 JEEE C#CCN(c1nnc(COc2ccccc2CC)n1CCC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1300504712 QWXOGVKHZGEAKZ-IBGZPJMESA-N 460.600 2.207 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1CCNC(=O)c1cccs1 1300532555 XOPHPMPRJWPDCF-UHFFFAOYSA-N 457.519 2.158 30 10 JEEE C=C(C)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCN(C(=O)COC)CC1 1300946069 CXGARGSSCXVZQI-UHFFFAOYSA-N 465.558 2.107 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC([C@@H]2CCOC2)CC1 1301152537 ZNHVOAJLHDHORW-WOJBJXKFSA-N 481.663 2.466 30 10 JEEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)NC2CCCCC2)CC1 1301251460 DSTYBUMXOSNSIQ-FQEVSTJZSA-N 458.607 2.487 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc(Cc2cccnc2)n1CC(=O)N1CCOCC1 1301354696 HDPDTKKSXABLTQ-UHFFFAOYSA-N 450.518 2.454 30 10 JEEE C=CCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1301445757 ITCUSSIKWCWWFE-UHFFFAOYSA-N 463.542 2.359 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 1301507975 BYNHYGBGKXXDHR-INIZCTEOSA-N 457.560 2.317 30 10 JEEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCOC2)C[C@@H]1C 1301927382 DSMWSBSXOMLPHS-PZJWPPBQSA-N 454.575 2.312 30 10 JEEE CCN(c1nnc(COc2ccc(C#N)cc2)n1CCCn1cccn1)[C@@H]1CCS(=O)(=O)C1 1313618429 ALOVKQJCAVWXBT-LJQANCHMSA-N 469.571 2.029 30 10 JEEE CN(C)[C@]1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)CCSC1 1314651757 AKBKGMHCYVOPJX-KNQAVFIVSA-N 474.656 2.267 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C 1358890229 MOGAWNUKSGZFHJ-GVDBMIGSSA-N 453.609 2.187 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Cl)n1CC1(CS(C)(=O)=O)CC1)[C@H]1CCS(=O)(=O)C1 1358959844 QSXJQQZLLOLAAC-INIZCTEOSA-N 497.042 2.050 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1358960233 ZYZWIGYUZJFEOG-IAGOWNOFSA-N 464.975 2.413 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CCc1ncc(CC)s1)[C@@H]1CCS(=O)(=O)C1 1358965378 UDBYJICCCVEKBI-GOSISDBHSA-N 470.624 2.152 30 10 JEEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2C[C@H](CC)NC(=O)OC(C)(C)C)CC1 1359036795 JLFFOFAOWPVWHZ-FQEVSTJZSA-N 453.591 2.322 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@H](C)Oc2ccc(OC)cc2)CC1 1359043945 OQEVLZONZJPNHQ-SFHVURJKSA-N 475.553 2.177 30 10 JEEE C=C(C)CN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN1CCN(C)C(C)(C)C1 1359109744 MOXOMJHJGIJPRR-UHFFFAOYSA-N 464.622 2.349 30 10 JEEE C=CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCN1S(C)(=O)=O)C1CC1 1359253902 YHRKVZOVPQTBAO-LJQANCHMSA-N 456.572 2.308 30 10 JEEE C=CCOc1ccc(COC(=O)c2ccc(S(=O)(=O)N3CCN(C(C)=O)CC3)cc2)cc1 1435842863 LAZMJWGEJQLHDP-UHFFFAOYSA-N 458.536 2.461 30 10 JEEE CCN(CC)[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1501805741 FHRZISQRPIYSRN-LJQANCHMSA-N 491.600 2.046 30 10 JEEE CN(C)c1cccnc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(C#N)cc1 1503391502 GURWCLQOLRSJMQ-IBGZPJMESA-N 465.583 2.198 30 10 JEEE CN(Cc1ccc(Br)o1)c1nnc(-c2ccc(C#N)cc2)n1CCNS(C)(=O)=O 1503459419 CFVPZXORGMLWNF-UHFFFAOYSA-N 479.360 2.358 30 10 JEEE CS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCCCCC2=O)C1 1505123533 ICQVHHBWJPCDHB-FQEVSTJZSA-N 470.599 2.233 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2C[C@]2(N(C)C)CCSC2)c1 1507549756 NPLBCBUGRJZQNB-XMMPIXPASA-N 476.610 2.229 30 10 JEEE C#CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1507575544 GJTUPXHEPZKTEW-JOCHJYFZSA-N 466.586 2.119 30 10 JEEE C#CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1507583056 MXNWSVIGLLYLSH-KRWDZBQOSA-N 468.583 2.102 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1cccc(OCC(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 1507632487 MAJKUMCXHZGFQN-ZWKOTPCHSA-N 498.527 2.398 30 10 JEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C)N2CCc3ccccc3C2)CC1 1507880808 JYLHTQRSVPJQPE-OALUTQOASA-N 458.632 2.492 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC[C@H](Oc3ccccc3)C2)nnc1[C@]1(OCC)CCOC1 1508096983 FFLJVRXXDCYBOH-RDPSFJRHSA-N 455.559 2.280 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(Cc3csc(C)n3)n2CC2(CS(C)(=O)=O)CC2)C1 1508130759 WQGMHPDHWSVPIK-KRWDZBQOSA-N 451.618 2.240 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Br)s2)nnc1N1CC(=O)N(C)C[C@H]1C 1508133380 HZEMSAFCZNIQJP-GFCCVEGCSA-N 488.433 2.037 30 10 JEEE C=CCSCCn1c(N2CCN(c3ccc(C#N)cn3)CC2)nnc1[C@@]1(OCC)CCOC1 1508168769 UFZGTNFNHNQNLH-HSZRJFAPSA-N 469.615 2.443 30 10 JEEE CC(=O)N1CCC(Cn2c(-c3cc(Br)cn3C)nnc2N2CCO[C@@H](C#N)C2)CC1 1508202949 MWAWKZZJTPTQQQ-KRWDZBQOSA-N 476.379 2.033 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCc1ccccn1 1513394554 BUZIPNYRIJGFLH-UHFFFAOYSA-N 473.585 2.427 30 10 JEEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC1(CS(C)(=O)=O)CC1 1539171261 JGFQQXCRMGRQIV-UHFFFAOYSA-N 468.583 2.130 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1Cc1cccc(C2OCCO2)c1)[C@@H]1CCS(=O)(=O)C1 1539202432 IPNHYDCMMJNKAC-LJQANCHMSA-N 458.584 2.296 30 10 JEEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1CCn1cc(C)cn1)[C@@H]1CCS(=O)(=O)C1 1539231848 YVSBINOGIQRBNJ-OAQYLSRUSA-N 482.610 2.306 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc(Br)cc1 1539296920 VXQPLPYUHAOTSO-INIZCTEOSA-N 478.416 2.356 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCN(CC(F)(F)F)C2)CC1 1539459878 QUPGCGURIZIDJS-HXUWFJFHSA-N 487.530 2.368 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@H](C)N2CCc3ccccc3C2)CC1 1539489794 NTNJPKDNAHTSDN-FQEVSTJZSA-N 464.614 2.227 30 10 JEEE C=C(Br)Cn1c(-c2cccnc2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1539585859 BFDBBDMFXYMXBD-DNVCBOLYSA-N 474.407 2.238 30 10 JEEE C=C(Cl)Cn1c(N2CCN(C(=O)N3CCCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1539821193 WOVREWGTUVCOEZ-OAQYLSRUSA-N 452.987 2.409 30 10 JEEE CC(=O)N1CCc2c(sc(NC(=O)CN3C(=O)N[C@]4(C[C@@H](C)C[C@@H](C)C4)C3=O)c2C#N)C1 1540918764 URMLSBRIFWLVEN-SACXKMNMSA-N 457.556 2.210 30 10 JEEE CCN(C(=O)OC(C)(C)C)[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1543120943 DSDRKBCCDUJJEG-INIZCTEOSA-N 450.561 2.037 30 10 JEEE N#CC1(c2ccccn2)CCN(C(=O)c2ccc(F)c(S(=O)(=O)Cc3ncon3)c2)CC1 1556363177 GRQMKQIADPSCCO-UHFFFAOYSA-N 455.471 2.275 30 10 JEEE CCN(CC)S(=O)(=O)c1ccc(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 1568504487 ALIDBWSWPZSQTM-NRFANRHFSA-N 454.552 2.120 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1Cc1nnnn1CC1CC1 1587632037 ICGVCMJBPUWOJG-INIZCTEOSA-N 469.594 2.295 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1c[nH]c2cc(C)ccc12 1587638321 CVVGPJIQDPVGFU-UWJYYQICSA-N 470.599 2.101 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1CC[S@](=O)CC)[C@@H]1CCS(=O)(=O)C1 1588041729 ZDIOCUIGBUVPCG-MHTXLSKPSA-N 472.995 2.133 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Br)n1CCC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1588045720 PKAWNEUFKOCRHV-HNNXBMFYSA-N 481.416 2.495 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(Cl)nc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1588471951 AKTFPQUFYRGYCE-QFIPXVFZSA-N 489.960 2.322 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[C@@H]2CCCCO2)CC1 1588899174 LYBKDYVJRFLNRO-NRFANRHFSA-N 499.637 2.274 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCC(=O)NC(C)C)CC1 1588968358 JTXDXBBTIFUHRA-TZIWHRDSSA-N 472.634 2.077 30 10 JEEE C=C(C)COCCn1c(Cc2ccc(F)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1593752475 JEMOJWMRGKXLLL-UHFFFAOYSA-N 451.568 2.072 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)c1nccs1 1595218236 IASSZZLFFGIMPF-HOTGVXAUSA-N 452.606 2.050 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCc2cc(OC)c(OC)c(OC)c2CC1 1595522578 GGPKDIZRVJNWKH-UHFFFAOYSA-N 478.553 2.273 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCN(C(=O)NCC)CC1 1595593738 IBGDNAJAZHJHLF-UHFFFAOYSA-N 478.022 2.378 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1595773116 QWZLFXVTOKUDMV-LJQANCHMSA-N 472.615 2.057 30 10 JEEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)C[C@@H]1CC 1595820836 AAWNPGDXPJOQCK-CVEARBPZSA-N 451.618 2.495 30 10 JEEE CCN1CCN([C@H](C)Cn2c(COc3cc(C)cc(C)c3)nnc2N2CCO[C@H](C#N)C2)CC1 1615844292 DMXXGTOYYQDQJX-FYYLOGMGSA-N 467.618 2.229 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@H](c2cccs2)N2CCOCC2)s1 1624523848 YXVQTPXRPFUWIK-INIZCTEOSA-N 455.627 2.006 30 10 JEEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)n1 1663734535 YLUCWMGMRQBFSD-UHFFFAOYSA-N 457.306 2.024 30 10 JEEE COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1OC 1669479198 DOPLHKFCJIBBFR-CQSZACIVSA-N 451.888 2.244 30 10 JEEE C#CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1689910375 FJKFXIVUEPFCPI-IBGZPJMESA-N 472.615 2.326 30 10 JEEE C#CCN(c1nnc(CCCc2ccccc2)n1CC1(C(N)=O)CCCC1)[C@H]1CCS(=O)(=O)C1 1689994373 WWCBLGWPPIDMGY-NRFANRHFSA-N 483.638 2.126 30 10 JEEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CCOc1ccc2c(c1)OCO2 1690025469 RRELIZCTNJOFHO-UHFFFAOYSA-N 463.519 2.150 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccnc(-n2cccn2)c1 1690031283 FXQHROZQZDURNS-UHFFFAOYSA-N 451.494 2.017 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1c(C)noc1C 1690043372 YYMQFXXRNKNCNA-UHFFFAOYSA-N 451.556 2.354 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1N(C)CCCC1(C)C 1690098214 ZUAWWMGIQVPKMT-NRFANRHFSA-N 463.590 2.127 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCCCN2CCC[C@H](C)C2)CC1 1690134972 NJINLAXTJNMFSY-VABKMULXSA-N 458.651 2.269 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CCNc2nccc(C(F)(F)F)n2)CC1 1690141846 CNVZFQYOBJPOHJ-UHFFFAOYSA-N 499.501 2.227 30 10 JEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](C(=O)N(C)c2ccccc2)C1 1690170515 LJUCDUIXLAYBOD-PKOBYXMFSA-N 452.584 2.085 30 10 JEEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1690218377 DIUPZVTULVJORP-UHFFFAOYSA-N 481.317 2.220 30 10 JEEE C=C(C)COCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@H](CNC(C)=O)C1 1690309532 CLKJUFPCRHTACE-LJQANCHMSA-N 489.646 2.183 30 10 JEEE C=CCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1690636180 KWGDQVFPOITYOM-UHFFFAOYSA-N 454.575 2.328 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(CC2CCOCC2)CC1 1690677955 FZAWUJUWGVVHKF-IFMALSPDSA-N 474.650 2.048 30 10 JEEE CNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N(C)C2CCCCC2)CC1 1697012514 BTJOZISCBOKYFL-UHFFFAOYSA-N 464.574 2.069 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](CN2CCCCCC2)C1 1705534767 RAQNEFWQAPFDEQ-FGZHOGPDSA-N 492.690 2.117 30 10 JEEE C#CCN(c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1705564696 CFCQNYCAEDJQDW-PKOBYXMFSA-N 468.583 2.177 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@@H]1CSCCS1)[C@H]1CCS(=O)(=O)C1 1705565811 WMESAYUNKJVHJH-DLBZAZTESA-N 478.665 2.429 30 10 JEEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1CCc1nccc(C(F)(F)F)n1 1705590302 HFHSELVXOYNIMU-NRFANRHFSA-N 462.476 2.445 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCS(=O)(=O)CC=C 1705603004 HLRCSFJEPXMTBJ-IBGZPJMESA-N 475.615 2.414 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC(F)(F)F)CC1 1705645867 HRWLUYSYEFEUOT-UHFFFAOYSA-N 451.449 2.490 30 10 JEEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1705679116 BUNFZOQFOXFOHM-UHFFFAOYSA-N 469.384 2.480 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1705707877 TVHNHCZUPMAFBL-KEZQHZCBSA-N 460.623 2.148 30 10 JEEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1705772136 JPDNEDVCCOMWRW-HXUWFJFHSA-N 452.964 2.217 30 10 JEEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCNS(=O)(=O)c1ccc(C)s1 1705836928 KPUAGAVDPUPKNA-UHFFFAOYSA-N 495.652 2.319 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1705897358 LGGUVQHDFQLZTL-ROUUACIJSA-N 470.574 2.176 30 10 JEEE C=CCNC(=O)Cn1c(N2CCO[C@H](c3ccc(F)c(F)c3)C2)nnc1[C@]1(OCC)CCOC1 1705909095 MTENICOUAPCCGO-CVDCTZTESA-N 477.512 2.089 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1705933323 CAYRAJBUHASNAK-MRXNPFEDSA-N 479.006 2.089 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCC(N(C)C(C)=O)CC1 1705933903 VMPZFBCCNRDPDQ-UHFFFAOYSA-N 461.588 2.002 30 10 JEEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H]1CCCS(=O)(=O)C1 1706190291 GILZDRJEDRNANK-LHUKNYEISA-N 453.584 2.463 30 10 JEEE COC1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@](C)(C#N)C2)CCCCC1 1711627790 HEBASPUJFPMNGH-WIYYLYMNSA-N 480.635 2.090 30 10 JEEE COCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1712457080 AILBCQLCNWRGPE-UHFFFAOYSA-N 460.542 2.387 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1CCN1CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1722359203 JLFSVZNXYSKXTP-QUCCMNQESA-N 487.626 2.073 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1CCOc1ccc2c(c1)OCO2)[C@@H]1CCS(=O)(=O)C1 1722363859 HQKNPTCSMFBLIZ-IAGOWNOFSA-N 460.556 2.226 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@@H]1CCN(CCC)C1)[C@@H]1CCS(=O)(=O)C1 1722364003 DKNLFMKVHDVHLH-IFMALSPDSA-N 485.654 2.236 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1Cc1ncccc1C)[C@@H]1CCS(=O)(=O)C1 1722370232 MGEIRTCJNIORAH-GOSISDBHSA-N 469.542 2.375 30 10 JEEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCNc1nccc(C(F)(F)F)n1 1722374323 UDQPXIHVKRALCM-OAQYLSRUSA-N 477.491 2.312 30 10 JEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCCN(C(C)C)C1 1722378619 GEQIMMGUTWCLAB-HXUWFJFHSA-N 467.643 2.431 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(OC)cc2)n1Cc1cccc(N2CCOCC2)n1 1722423779 OGIVKVISRYXGLH-UHFFFAOYSA-N 462.554 2.320 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2Cc2cc(OC)ccc2OC)CC1 1722449566 UYUCKLJRZAOCMT-UHFFFAOYSA-N 474.565 2.295 30 10 JEEE C=CCCOCCn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1722630587 KCQAVMAOENSGQR-NHCUHLMSSA-N 460.623 2.245 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C2CCOCC2)CC1 1722690995 NQUNZHPTBDXZRH-SFHVURJKSA-N 472.565 2.160 30 10 JEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1722700368 GRYQHLGUJRCHLP-UHFFFAOYSA-N 466.493 2.172 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCC[C@H](c2nc(C)no2)C1 1722705619 FLUDQFTWHKQTIH-KRWDZBQOSA-N 467.530 2.243 30 10 JEEE C=CCOc1ccccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1722706959 BVMWEXOVSVWPQP-DLBZAZTESA-N 492.502 2.347 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1722706962 BVMWEXOVSVWPQP-SJORKVTESA-N 492.502 2.347 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 1722724210 QIVQPPIWDSTNCE-JKSUJKDBSA-N 452.581 2.477 30 10 JEEE C=CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@H](CC(N)=O)C1 1722737354 CEAPXTAXVCRBCZ-MRXNPFEDSA-N 477.660 2.249 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC(N(C)C(C)=O)CC1 1722748865 CDNLNNXBNGCBFI-UHFFFAOYSA-N 491.614 2.010 30 10 JEEE CS(=O)(=O)N1CCC[C@@H]1Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCO[C@H](C#N)C1 1731011406 DJNUOYPPUJWULD-HUUCEWRRSA-N 485.397 2.405 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCNC(=O)c1occc1C 1740538715 JLJOEJSTDZYSJS-SFHVURJKSA-N 498.609 2.375 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)C)n2CCCN2CCN(CC)CC2)c1 1740561605 HCRVMSNTUYGVEU-UHFFFAOYSA-N 451.619 2.485 30 10 JEEE C#CCN(c1nnc(-c2cccc3cccnc23)n1CCN(C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1740619507 JFJWRASXENJKQC-HXUWFJFHSA-N 466.611 2.460 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CC(C)(C)COC)[C@@H]1CCS(=O)(=O)C1 1740619903 RKLZBOYLBUMIHU-OAHLLOKOSA-N 484.420 2.335 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1CCCN(C)CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1740622139 VKFUSYNWZUZUSA-KRWDZBQOSA-N 499.559 2.465 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCC[C@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1740628162 VXEVECIRVZVMDI-HSALFYBXSA-N 450.605 2.148 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H]1CCCCN1CCCC)[C@H]1CCS(=O)(=O)C1 1740628798 UOILQWWHMBAVGJ-PCCBWWKXSA-N 463.648 2.411 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Cl)c3)n2CCNC(=O)C(C)C)CC1 1740703312 NIKKFBWCQXRFPR-UHFFFAOYSA-N 456.978 2.337 30 10 JEEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1740712129 XVRYYQOIWCXUQB-SFHVURJKSA-N 470.624 2.442 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC(O)(C(F)(F)F)CC1 1740762759 GFACEQMGJBIQIU-MAUKXSAKSA-N 457.497 2.275 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1c(Cl)c(C(F)(F)F)nn1C 1740941697 QGZKTNUALMALDC-GFCCVEGCSA-N 496.943 2.273 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCN2CCN(C)C(C)(C)C2)C1 1740972390 HPMSORRFJWPDII-OFVILXPXSA-N 476.666 2.126 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H]2CCS(=O)(=O)C2)C1 1740975082 RTYCUIPFPFCGCX-ZBFHGGJFSA-N 484.420 2.262 30 10 JEEE CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(Cc2cnc(C)s2)CC1 1745790832 AUUHSPYOGLODET-UHFFFAOYSA-N 464.599 2.430 30 10 JEEE C#CCCCCn1c([C@H]2CCOC2)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 1748716311 XUQZTLNASJRYCR-FQEVSTJZSA-N 457.600 2.487 30 10 JEEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1cccc(C(=O)NCC)c1 1748790688 KSXSRWDBSJVANI-UHFFFAOYSA-N 458.570 2.320 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2Cl)n1CC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1748808079 HRGIBNDDNBLDTF-HNNXBMFYSA-N 484.409 2.403 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCOc1cccc(C(F)(F)F)n1)[C@@H]1CCS(=O)(=O)C1 1748811389 FTHNXQRFRAFMKS-OAHLLOKOSA-N 494.499 2.393 30 10 JEEE C#CCN(c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC(=C)C)[C@H]1CCS(=O)(=O)C1 1748814290 CSWXVLOMPNZFJR-SFHVURJKSA-N 480.594 2.268 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@H](Cc1ccccc1)OC)[C@@H]1CCS(=O)(=O)C1 1748819660 RDDACIRZHBWZOA-PKTZIBPZSA-N 479.606 2.148 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(C(=O)N3CCCC3)n2Cc2cccc(C)c2)n1 1748970857 VVKXUZIDGZFBJW-UHFFFAOYSA-N 461.570 2.354 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2CCC(=O)N2CCCCC2)CC1 1749003328 GFNAXDXPPUMIJI-UHFFFAOYSA-N 478.597 2.322 30 10 JEEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1749038632 VHULKYILWFGBRT-NRFANRHFSA-N 488.608 2.256 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)n(C)c1=O 1749529720 KKHDNZUCNSJLNA-OAQYLSRUSA-N 497.621 2.437 30 10 JEEE C=CCn1c(-c2cc(Br)cn2C)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1749608220 UDAHUDGRKQRTOQ-CQSZACIVSA-N 462.396 2.021 30 10 JEEE C=CCNC(=O)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCS[C@@H](C)[C@H]1C 1749676732 BDCDOZKJSZNEJB-RTWAWAEBSA-N 483.686 2.275 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](CN2CCCCCC2)C1 1749730793 QTQBFPKDQIZCMD-FQEVSTJZSA-N 475.663 2.372 30 10 JEEE CC(=O)NCC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)C(C)(C)C)CC1 1750007676 AGGSVKZIOFEJMC-UHFFFAOYSA-N 481.601 2.244 30 10 JEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCc1ccc(C=C)cc1)[C@@H]1CCS(=O)(=O)C1 1760179354 QRJPRCVQKOQZDE-OAQYLSRUSA-N 467.595 2.027 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1ccc(OCCN(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 1760187314 UTXARDXPZXNCRF-OAQYLSRUSA-N 487.670 2.482 30 10 JEEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1ccncc1Cl)[C@@H]1CCS(=O)(=O)C1 1760190522 XIMFSYPVCYJEMH-QGZVFWFLSA-N 456.959 2.372 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1760218380 FOANHQJXUREANT-HBMCJLEFSA-N 459.616 2.187 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1cn[nH]c1 1760219426 DQSAWKRGCNVYTB-LJQANCHMSA-N 453.547 2.015 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2cccc(N3CCCC3=O)c2)CC1 1760252718 VBAZBDCHWADCPU-UHFFFAOYSA-N 477.613 2.127 30 10 JEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(O)(c2c(F)cccc2F)CC1 1760275488 YFZJXFXYALKJHV-OAHLLOKOSA-N 499.609 2.021 30 10 JEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCNC(=O)c2occc2C)CC1 1760397295 QDRKUJQJYBJEJC-INIZCTEOSA-N 464.592 2.012 30 10 JEEE C=CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1760436939 LSQVYWORCXEJGN-UHFFFAOYSA-N 482.585 2.200 30 10 JEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)Oc1ccccc1F)C1CC1 1760477044 ODFHFOVBZLQIQL-OXJNMPFZSA-N 479.578 2.372 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CCN(c2ccnc(C)n2)CC1 1760515366 MQPBYVPJAJUFMQ-UHFFFAOYSA-N 497.401 2.435 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(C(=O)N(CC)CC)CC1 1760515884 HOMVRQQWWKTWPM-SFHVURJKSA-N 487.580 2.443 30 10 JEEE CN(C[C@H]1CCOC1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCS(=O)(=O)C1 1767247812 DHZMKRPWVKBWCX-MOPGFXCFSA-N 459.572 2.026 30 10 JEEE COCC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(C)s2)CC1 1769150247 AJSMRLDZAKPBJK-UHFFFAOYSA-N 466.567 2.442 30 10 JEEE CC(C)C[C@H](C(=O)N[C@H]1CCN(S(=O)(=O)c2ccccc2C#N)C1)N1C(=O)c2ccccc2C1=O 1858334193 DPJWQYTUCYUCLB-GHTZIAJQSA-N 494.573 2.148 30 10 JEEE COc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCNC=O)c1 1862606519 UGGYPKAFXZMOQC-OAQYLSRUSA-N 452.463 2.181 30 10 JEEE O=C(C1=C(O)C(=O)N(CCN2CCOCC2)[C@@H]1c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 1862739973 LAUZCQPMLRTJDN-HXUWFJFHSA-N 482.449 2.414 30 10 JEEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1cccc([N+](=O)[O-])c1 1862740039 NHULIACDYZBQFA-SFHVURJKSA-N 454.395 2.217 30 10 JEEE COC(=O)c1ccc([C@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2CCNC(C)=O)cc1 1862746012 WWMFQMWATUIHSI-IBGZPJMESA-N 467.434 2.096 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)N2CCOCC2)cn1CCCOCCCC 1870585045 CDAZNRGPLVKLQE-UHFFFAOYSA-N 461.603 2.467 30 10 JEEE C=CCN(CC=C)c1nc(=NCc2ccc(S(N)(=O)=O)cc2)[nH]c(=Nc2ccccc2CC)[nH]1 1871558873 FGAAHQWESYJEJY-UHFFFAOYSA-N 479.610 2.459 30 10 JEEE CCOC(=O)C[C@@H]1COCCN1C(=O)[C@@H]1SCC(=O)N(C(C)C)[C@H]1c1ccc(C#N)cc1 1890414877 YVGBMNCGGAXJSW-BVYCBKJFSA-N 459.568 2.132 30 10 JEEE Cc1ccc(C(=NNc2nc3c(c(=O)n(C)c(=O)n3C)n2CC=Cc2ccccc2)C(=O)O)cc1 2040728453 FTDVJPTXOGNOGI-UHFFFAOYSA-N 472.505 2.356 30 10 JEEE CC1(C)OB(c2cnc(N3CCSC[C@@H]3S(C)(=O)=O)c(Br)c2)OC1(C)C 2172775088 WWUGQLFDCKFMKH-ZDUSSCGKSA-N 463.228 2.067 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H](O)CNC(=O)c1cc(Cl)cc(B2OC(C)(C)C(C)(C)O2)c1 2255543088 CDRHIRZDYRNYND-INIZCTEOSA-N 454.760 2.255 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2255745884 UBBMZDUUIPHXHW-CABCVRRESA-N 456.345 2.069 30 10 JEEE CC1(C)OB(c2cc(F)cc(F)c2S(=O)(=O)N(CCO)Cc2ccccc2)OC1(C)C 2255952624 WGXOIZIWJGSOTF-UHFFFAOYSA-N 453.316 2.447 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(CN(C)C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)s1 2256617822 MBGLZXNLMJNFJU-HNNXBMFYSA-N 454.398 2.200 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H](C)CN(C)C(=O)OC(C)(C)C 2267150488 CSKDQWPYKLKDIP-CQSZACIVSA-N 450.389 2.261 30 10 JEEE COCCN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1)C1CN(C(=O)OC(C)(C)C)C1 2267158836 MIMRRNHSLWDAMJ-UHFFFAOYSA-N 467.397 2.150 30 10 JEEE Cc1nc(C(=O)NC[C@H]2COCCN2Cc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)s1 2267478897 DYIQJBIQCXAFLR-SFHVURJKSA-N 457.405 2.382 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)CCCO1 2267484813 HVPCBPTYAIFGQS-CQSZACIVSA-N 467.397 2.198 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)Nc1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2268605733 IKRRQMQKYPYLBH-HNNXBMFYSA-N 467.759 2.346 30 10 JEEE C=C(CS(=O)(=O)N1CC[C@@](COCc2ccccc2)(C(=O)O)C1)B1OC(C)(C)C(C)(C)O1 2269026739 PHQNVYLEVLAANB-JOCHJYFZSA-N 465.377 2.497 30 10 JEEE CC(C)(C)OC(=O)N1[C@@H](COc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)CCS1(=O)=O 2269063462 IHPPHJOQKYBYOS-CQSZACIVSA-N 472.344 2.238 30 10 JEEE CC(C)(C)OC(=O)N1CC(O)(C(F)(F)CNc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)C1 2272848458 WDKOIMBREAMJAM-UHFFFAOYSA-N 455.311 2.410 30 10 JEEE CC(C)(C)OC(=O)N1CC2(COC[C@@H](CNc3ncccc3B3OC(C)(C)C(C)(C)O3)O2)C1 2279325996 USFGRTUKVYDBIZ-MRXNPFEDSA-N 461.368 2.198 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2F)[C@H](O)C1 2281760372 RZBWKKRMCDRNFG-IAGOWNOFSA-N 464.343 2.225 30 10 JEEE CC(C)(C)OC(=O)N1CCCN(CCNC(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)CC1 2281801887 HIVRAKPIXDTXAI-UHFFFAOYSA-N 480.440 2.115 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@H]([S@](C)(=O)=NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2281931370 SXXTWRKQUSKTCM-UUBFPDNSSA-N 482.412 2.346 30 10 JEEE C[C@H]1CC[C@H](NC(=O)C(F)(F)F)CN1S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282494695 BCAYFBRCGUNZNG-JSGCOSHPSA-N 496.382 2.409 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(C(=O)N2C[C@H](O)C[C@@H](NC(=O)OC(C)(C)C)C2)c1 2282681113 UYKXNMLNKNTKNV-RTBURBONSA-N 460.380 2.394 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@]2(NC(=O)c3nccnc3B3OC(C)(C)C(C)(C)O3)CCC[C@@H]12 2283057877 ABXUKDIYEDARIG-IQMFZBJNSA-N 458.368 2.438 30 10 JEEE Cn1[nH]c(=NC(=O)OC(C)(C)C)cc1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2283992112 XGWYIDRKHQIIBF-UHFFFAOYSA-N 461.303 2.275 30 10 JEEE C[C@H](NC(=O)[C@@]1(O)CCCN(C(=O)OC(C)(C)C)C1)c1nscc1B1OC(C)(C)C(C)(C)O1 2284065740 LBFRUPZHCBVHAQ-RCDICMHDSA-N 481.424 2.382 30 10 JEEE CC1(C)OB(c2ccc(O)c(C(=O)NCCN(CC(=O)O)Cc3ccccc3)c2)OC1(C)C 2284335684 YMNUKXCLAKHIPS-UHFFFAOYSA-N 454.332 2.008 30 10 JEEE CN(Cc1ccccc1)C[C@H](NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1F)C(=O)O 2284495444 YXGKPPLRYPKBAR-FQEVSTJZSA-N 456.323 2.440 30 10 JEEE Cc1ccc(-c2noc(C(=O)N3CCOCC3)n2)cc1S(=O)(=O)Nc1ccc(C#N)cc1 65319030 GHLVXOMAPMWGBX-UHFFFAOYSA-N 453.480 2.190 30 10 JEEE N#Cc1cccnc1N1CCC(CNC(=O)C(=O)Nc2cc3c4c(c2)CCC(=O)N4CCC3)CC1 70897250 ZIXRWIDTNQTEEI-UHFFFAOYSA-N 472.549 2.150 30 10 JEEE Cc1nn(CCO)c(C)c1/C=N/Nc1nnc(SCC(=O)OC/C=C/c2ccccc2)[nH]1 253569920 MYKAOFMTHTYRAL-BBUOLYQXSA-N 455.544 2.405 30 10 JEEE C#CCNC(=O)CN1CCN(C(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C2CC2)CC1 728533690 PJTWKTBDJLHSLZ-UHFFFAOYSA-N 459.472 2.276 30 10 JEEE C#CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](CC(=O)OC)C(=O)O 757379397 CASIBOACKHTRSV-RTWAWAEBSA-N 464.474 2.050 30 10 JEEE N#C[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)[C@H](CO)NC(=O)OCc2ccccc2)CC1 1139787769 AXDSSNIOEQDMAG-SFTDATJTSA-N 456.930 2.336 30 10 JEEE C#CCn1cc(CNC(=O)[C@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc(F)cc2)cn1 1139860746 HFZQUXKOZHKYRL-JOCHJYFZSA-N 452.511 2.087 30 10 JEEE C=C[C@@H](Sc1nc2ccccc2c(=O)n1CCc1ccc(S(N)(=O)=O)cc1)C(=O)OC 1188128647 IOARCUMRBUULJI-GOSISDBHSA-N 459.549 2.106 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCN(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1286380687 CPHQFQKHBHQOGW-INIZCTEOSA-N 483.436 2.003 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1CC1(C)CCOCC1)[C@H]1CCS(=O)(=O)C1 1286381376 GIXRFFSWADZVSL-IBGZPJMESA-N 488.610 2.406 30 10 JEEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCN(C)CC(F)(F)F 1286413389 JGIYDMGQJYEBSH-UHFFFAOYSA-N 474.535 2.409 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2(CCOCC)CC2)CC1 1286472728 DKFSRGOMMCFZFQ-UHFFFAOYSA-N 471.627 2.311 30 10 JEEE C=C(Br)Cn1c(N(C)[C@H](C)CS(C)(=O)=O)nnc1[C@]1(OC(C)C)CCOC1 1286547431 LWZSLLWPNLVXNL-PBHICJAKSA-N 465.414 2.097 30 10 JEEE C=CCN(CC=C)[C@@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCS(=O)(=O)CC1)C(C)C 1286750532 CHIATYVEYRBUOR-UXHICEINSA-N 451.637 2.106 30 10 JEEE C=CCNC(=O)Cn1c(N2CCN(C)c3ccccc3C2)nnc1[C@@]1(OC(C)C)CCOC1 1286793809 MLXSQMNHVLUWLS-XMMPIXPASA-N 454.575 2.077 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CCO[C@@]2(CCOC2)C1 1286816514 JWBAWFJKOBGLEI-FQEVSTJZSA-N 452.964 2.195 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCO[C@H](COc2ccccc2)C1 1286818329 GZVTZHOJSPLFIK-IBGZPJMESA-N 457.556 2.158 30 10 JEEE C=CCOc1ccc(CC(=O)NCC[C@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)cc1 1288731373 WMNQXILFEWBUMG-IBGZPJMESA-N 452.573 2.334 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1CC1(O)CCS(=O)(=O)CC1 1300272265 AOQKEKTWPHDUJT-QZTJIDSGSA-N 476.599 2.214 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCOC[C@@H]1CCOC1 1300298687 GMJNKQDQEYWGDS-MSOLQXFVSA-N 460.604 2.139 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2CC[C@H](OC)C(F)(F)F)c1 1300336285 BVSAUKGIIKTZDQ-SFHVURJKSA-N 492.502 2.424 30 10 JEEE C#CCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H](N1CCOCC1)C(F)(F)F 1300432506 KKZAYCURZHGKGN-SFHVURJKSA-N 464.492 2.480 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Cl)n1C[C@@H](C)CN1CCOCC1)[C@H]1CCS(=O)(=O)C1 1300486953 CIODGVPWZVHSSH-OALUTQOASA-N 492.045 2.194 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@@H]1CC(F)(F)CO1)[C@@H]1CCS(=O)(=O)C1 1300498051 GFNBULXCJMXYHG-CABCVRRESA-N 486.491 2.198 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2CCCOC2CCOCC2)CC1 1300704026 ZEKULGUVFGFJQJ-UHFFFAOYSA-N 453.587 2.218 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2CC2(C(=O)NCC)CCC2)CC1 1300729430 ZKTSLHTZVRVAOM-UHFFFAOYSA-N 454.619 2.283 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CSc3ccccc3OC)n2Cc2cnn(C)c2)CC1 1300733313 UXBQNJZQMBXWTJ-UHFFFAOYSA-N 479.610 2.327 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccccc2C)nnc1N1CCN(CCOC)C(=O)C1 1300890513 VKXAPTYKGNLIPV-XUZZJYLKSA-N 453.587 2.454 30 10 JEEE C=C(C)COCCn1c(COc2cccc(C)c2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1300999566 DROCWJAQOISHBB-UHFFFAOYSA-N 465.558 2.345 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@]2(OCC)CCOC2)n1CC(=O)N1CCOCC1 1301349391 KRLOVOWSFQXHRS-DEOSSOPVSA-N 473.549 2.121 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@H](C)O[C@H](C)C1 1301500957 RTSBZQNGYLYFPN-FGTMMUONSA-N 462.595 2.308 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1301515367 TVLJDNARZXZONQ-OAQYLSRUSA-N 495.367 2.497 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCOCC2(CC2)C1 1301566765 BWXJDUBBEDPIOY-UHFFFAOYSA-N 494.017 2.079 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N1CC=C(COC)CC1 1301569466 WVQPPOJOQOLFMC-UHFFFAOYSA-N 484.420 2.430 30 10 JEEE C=CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1301595659 ZFOVNCNKPKBZBP-QFIPXVFZSA-N 475.018 2.497 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1cccc(C(N)=O)c1 1358891018 YLZDBWGQZNRIKQ-XLIONFOSSA-N 482.585 2.386 30 10 JEEE C#CCCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1358915605 JNFNROHRQABTGQ-QFIPXVFZSA-N 463.630 2.113 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H]1CCCS1)[C@H]1CCS(=O)(=O)C1 1358959935 SHZTWWBFRZEYAX-WMZOPIPTSA-N 476.624 2.485 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1C[C@@H](c1cccs1)N1CCOCC1 1358984046 GGMQCLLYIUMUON-FQEVSTJZSA-N 466.611 2.112 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccnc3)n2CCc2ccc(OCCN(C)C)cc2)CC1 1359033690 MKOGLBNZECAWEU-UHFFFAOYSA-N 459.598 2.278 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2CC(C)(C)N2C[C@H](C)O[C@H](C)C2)CC1 1359034669 ZMDAFPXJJMRVDQ-OYRHEFFESA-N 451.619 2.292 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC2(O)CC(OCC)C2)CC1 1359047645 ODNCWEVNVQRSQA-SYGLVGHYSA-N 487.645 2.093 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1359103758 SCLVLCCTTFXGCJ-SCWSEQNSSA-N 475.977 2.443 30 10 JEEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2c(F)cccc2OC)CC1 1359126481 QPNFVNMFLYKAFA-UHFFFAOYSA-N 460.554 2.483 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1359133453 RZQQFYLLMGILRE-HSZRJFAPSA-N 498.653 2.357 30 10 JEEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C(=O)N(C)c2ccccc2)C1 1359150607 BWVVYAUYWMNPRP-SJORKVTESA-N 463.991 2.422 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](OC)c2ccc(F)cc2)CC1 1359165282 LYPHWXKDGKJSBS-VQTJNVASSA-N 479.578 2.294 30 10 JEEE C=CC[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)N(C)C)CC1)c1ccccc1 1359192587 JKEMMIVVNVCULZ-QFIPXVFZSA-N 479.629 2.084 30 10 JEEE C=CCCCCn1c(N2CCN(c3cnn(C)c3)C(=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1359206560 IWDBSOLIKVLGFV-QHCPKHFHSA-N 457.579 2.262 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(CC(=O)Nc2cccc(C)c2C)CC1 1359326937 NLGCNYCGUZOPPA-UHFFFAOYSA-N 488.658 2.380 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@]2(CCOC2)C1 1359329345 GKXBEZZNZQLUAQ-QFIPXVFZSA-N 462.572 2.180 30 10 JEEE Cn1ccc(CCn2c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CCO[C@H](C#N)C2)n1 1503662276 AOCSOIICNLUSEB-PKOBYXMFSA-N 470.578 2.098 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCOC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1507625874 BSOHEMQWSVLASL-DZFGPLHGSA-N 453.568 2.116 30 10 JEEE C#CCN(c1nnc(CCCc2ccccc2)n1C[C@@H]1CCOC[C@@H]1OC)[C@@H]1CCS(=O)(=O)C1 1507640434 SKXBMAKBCZVLAH-ZRBLBEILSA-N 486.638 2.132 30 10 JEEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(CN2CCC(O)CC2)cc1 1507641724 JXPDMCFSEDCLPD-MUUNZHRXSA-N 491.636 2.397 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCS(=O)(=O)C1 1507700320 QGBHHJBBIJUCBQ-CVDCTZTESA-N 476.574 2.144 30 10 JEEE C#CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCN1CCCCC1 1507704233 UJOJGQYJUYQWCN-UHFFFAOYSA-N 473.647 2.119 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc2c(c1)C(=O)NCC2 1507705748 WJPWPURHPOJXJN-UHFFFAOYSA-N 450.930 2.414 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](c2ccccc2Cl)N(C)C)CC1 1507716112 MOMRRQKTCBBRQS-FQEVSTJZSA-N 458.010 2.128 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H]2OCCC2(C)C)CC1 1507739783 KRIUIMHYCSFULG-IBGZPJMESA-N 456.616 2.415 30 10 JEEE C#CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1507745090 SYJWRPFYNNANKT-INIZCTEOSA-N 492.447 2.453 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](Oc2ccccn2)C1 1507784267 HTWQPYMJDGNNKP-HUUCEWRRSA-N 468.377 2.142 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(N2CCOCC2)cc1 1507843511 NKQAYLGMAPZUJI-NRFANRHFSA-N 454.575 2.295 30 10 JEEE C=C(Cl)Cn1c(Cc2ccccc2OC)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1507866749 BZVLEAZJUWIRBM-UHFFFAOYSA-N 453.996 2.490 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1508088579 ZFXXKYWRYDAWHE-HXUWFJFHSA-N 466.565 2.435 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CC[C@@](C)(C(=O)NC)C2)cc1 1508096588 HQTDEMMBGPTTSY-XMMPIXPASA-N 452.559 2.090 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC(C(=O)OC)CC1 1508140764 QNUXXFIJSQCERS-UHFFFAOYSA-N 484.582 2.121 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@@H](OCC)C1 1508141879 POWRTKAMCKGAKE-HXUWFJFHSA-N 489.646 2.058 30 10 JEEE C[C@@H](Oc1ccccc1F)c1nnc(N2CCO[C@@H](C#N)C2)n1CCS(=O)(=O)CC1CC1 1510279708 CMZYLENCHLQBFC-WBVHZDCISA-N 463.535 2.111 30 10 JEEE CN(C)C(=O)CCn1c(-c2cc(F)ccc2Br)nnc1N1CCO[C@H](C#N)C1 1516960515 AHHBXNRGFLJLHU-CYBMUJFWSA-N 451.300 2.054 30 10 JEEE C#CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1539104913 SZINKTWZLVAYQS-XXBNENTESA-N 480.613 2.365 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCC1(COC)CCC1)[C@@H]1CCS(=O)(=O)C1 1539226024 SUJDPZJXKSQPDS-LJQANCHMSA-N 477.656 2.467 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1CCNC(=O)C(C)(C)C 1539401153 VEEDSCDCSVBTLA-UHFFFAOYSA-N 465.396 2.294 30 10 JEEE C=C(C)COCCn1c(N2CCN(C(=O)OC)[C@@H](C)C2)nnc1[C@]1(OC(C)C)CCOC1 1539759646 JVGJDZWGLAGGAB-AVRDEDQJSA-N 451.568 2.188 30 10 JEEE C=CCn1c(-c2ccccc2F)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1540856591 NFTMAJNVBAXSNK-NXHRZFHOSA-N 477.562 2.397 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1540900828 JJEOPWLAFQYHPC-UHFFFAOYSA-N 485.570 2.119 30 10 JEEE CC(=O)Nc1ccc(Cn2c(CN3CCCC3=O)nnc2N(C)Cc2ccc(C#N)cc2)cn1 1541015120 CPFVVIXWPBBZOL-UHFFFAOYSA-N 458.526 2.310 30 10 JEEE CC(C)CN1CCC[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(CC#N)CC2)C1 1541551332 CDRYUIOPRDOBDB-QUCCMNQESA-N 465.668 2.386 30 10 JEEE CSC1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H](C(N)=O)C2)CCN(C)CC1 1555861377 HYPGVWBJMPFSSU-LJQANCHMSA-N 453.616 2.346 30 10 JEEE CCOC(=O)CNC(=O)C1CCN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CC1 1562537381 FRQSOVZDQSUIAT-UHFFFAOYSA-N 458.906 2.321 30 10 JEEE C#CCCCn1c(Cc2ccccn2)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 1587869107 JYGXDWPQYFUYLQ-UHFFFAOYSA-N 463.630 2.494 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1CCC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1588034689 KMNZXYBULROARZ-MRXNPFEDSA-N 468.526 2.334 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@](C)(O)[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1588035408 UELRETFXWUXADQ-BOCKYXSRSA-N 460.600 2.378 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1ccc(N(C)C)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1588054124 KSOTVFOZEHFJHG-RTBURBONSA-N 475.590 2.052 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCN(C)Cc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1588054246 MKQFJBWEHVPYST-FGZHOGPDSA-N 489.617 2.418 30 10 JEEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)NCCc1ccccc1 1588399481 PUZJPYBQRUBPTK-OAQYLSRUSA-N 496.612 2.405 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2nnc(O)c3ccccc23)n1CCS(=O)(=O)CC=C 1589198574 YGPCEZQOOFPDAX-JOCHJYFZSA-N 452.540 2.187 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1CCCn1cc(Br)cn1 1589233980 OQRBFWJIPGCRGQ-HXUWFJFHSA-N 460.380 2.442 30 10 JEEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 1595569231 CMJPDZUXBOCEGA-UHFFFAOYSA-N 468.402 2.024 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCCS2(=O)=O)C1 1595745487 RZRZAVCCPBNWAB-LEWJYISDSA-N 471.583 2.477 30 10 JEEE N#Cc1ccc(C(=O)N[C@@H]2CO[C@H](CN3CCN(c4cccc(C(F)(F)F)c4)CC3)[C@H]2O)cc1 1615261367 ZQQRBHFWFHLSBR-VSKRKVRLSA-N 474.483 2.257 30 10 JEEE C=CCn1cc(C(=O)N2CCC(c3n[nH]c(CNC(=O)OCc4ccccc4)n3)CC2)nn1 1641964330 HFOSJROELMKKIG-UHFFFAOYSA-N 450.503 2.028 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H](C)Oc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1689992477 LFENGZUBAPNYIF-CTNGQTDRSA-N 495.605 2.367 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CCN1CCN(C(C)=O)CC1 1690039655 OCTYCAWSDUKDDT-UHFFFAOYSA-N 492.624 2.368 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCOC[C@@H]2CCOC2)CC1 1690139147 BEGOUOFULZAZRS-NRFANRHFSA-N 476.581 2.226 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2CCn2cc(C)cn2)CC1 1690152789 XTCPBBLWACXDGO-UHFFFAOYSA-N 461.570 2.336 30 10 JEEE C=C(Br)Cn1c(N2CCN3CCOC[C@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1690235049 VHVMSTAVWFGPGS-IXDOHACOSA-N 497.438 2.478 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccccc2OC)nnc1N1CCN(CC(=O)N(C)C)CC1 1690248432 NWHFOVWWYYTBQM-PXDATVDWSA-N 482.629 2.069 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C)N(Cc2ccccc2)CC1 1690288172 LFALDDSCCOEUBM-IRLDBZIGSA-N 488.658 2.288 30 10 JEEE C=CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(C(=O)COC)CC1 1690460520 JWPXCJQMNKWNRX-UHFFFAOYSA-N 479.585 2.326 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCN(C)C(C)(C)C1 1690577775 MLQISKHQOXXLSW-LJQANCHMSA-N 492.715 2.460 30 10 JEEE C=CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(CCOC)[C@@H](CCC)C1 1690639534 XNLAHVICHNZVBR-SFHVURJKSA-N 461.636 2.361 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@H](CN2CCOCC2)C1 1690660294 DCXMRKQXYXHFGQ-RTBURBONSA-N 472.565 2.018 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1690661135 VLNMGYLLJSMHGO-ZYSHUDEJSA-N 471.514 2.233 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1690720152 ZQFJDWKSHNBQLN-RTBURBONSA-N 476.599 2.426 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 1690731219 CXOCUZUDYTWHCR-ACRUOGEOSA-N 492.646 2.258 30 10 JEEE Cc1cc(C)cc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCNC(=O)c2ccco2)c1 1692979362 GPBMNSMAUPFILM-LJQANCHMSA-N 450.499 2.226 30 10 JEEE C[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCNS(=O)(=O)Cc2ccon2)C1 1693662505 DGVCSIBAQDWCNL-MRXNPFEDSA-N 455.544 2.161 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1Cc1nnc2n1CCC2 1705491358 BNPWJPYHZBMCRO-INIZCTEOSA-N 454.579 2.437 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cn3nc(C)cc3C)n2CCN2CCSCC2)c1 1705507743 KFDCNJAXLCRKSG-UHFFFAOYSA-N 492.653 2.245 30 10 JEEE C#CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H](C)N1CCN(CC)CC1 1705551703 CRRVBFVTCMCMSR-LEWJYISDSA-N 473.666 2.488 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CC1=CCCCC1)[C@H]1CCS(=O)(=O)C1 1705562318 ZTPLROJMEYEKAO-SFHVURJKSA-N 454.556 2.053 30 10 JEEE C#CCN(c1nnc(-c2ccccc2)n1CCC(=O)N1CCCCCC1)[C@H]1CCS(=O)(=O)C1 1705563757 DUODCDJBVQPZJL-NRFANRHFSA-N 469.611 2.365 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CC1(C)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1705569966 IYJLYEGLCOQJCJ-HXUWFJFHSA-N 460.575 2.451 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CCNC(=O)C(C)(C)C)CC1 1705634130 KNSPYXYWISRFOB-UHFFFAOYSA-N 460.586 2.253 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCN2CCCC2)CC1 1705644850 DHUSWMMATDBLCP-UHFFFAOYSA-N 488.434 2.487 30 10 JEEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(c2nccnc2C)CC1 1705681595 YGCWAIJHXSARIR-MRXNPFEDSA-N 466.384 2.336 30 10 JEEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CCOCC)CC1 1705725603 KLXRGZJIQMVKMP-IBGZPJMESA-N 464.611 2.321 30 10 JEEE C=CCN(c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(C(N)=O)CCOCC1)C1CC1 1705853567 BZDXARALAPFJEB-GOSISDBHSA-N 490.605 2.023 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1CCCc1cnn(C)n1 1705857147 ACIPSPBYOAIXDY-UHFFFAOYSA-N 459.558 2.340 30 10 JEEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(Cl)c(OC)c1 1705875678 BZGOYXQORINXDA-LJQANCHMSA-N 482.006 2.500 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](NC(=O)CCC)C1 1705896277 HQFUPDMTYIZCKU-KRWDZBQOSA-N 455.519 2.041 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1CCN1CCCC1 1706863670 AFOJZGCKYSOGJW-GOSISDBHSA-N 469.615 2.149 30 10 JEEE Cc1cnc([C@H](C)Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@](C)(C#N)C2)s1 1707711023 BHOUODVGEALOER-QLVMHMETSA-N 493.659 2.310 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@H](c1ccc(C)cc1)N1CCOCC1 1722274664 VSGOCNUARPCQBW-IFMALSPDSA-N 450.587 2.354 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 1722296520 QYYNNOZEFVPBKJ-SJLPKXTDSA-N 463.604 2.205 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)COCC)c1 1722310066 SBNQBNIYERKLCV-IBGZPJMESA-N 452.559 2.348 30 10 JEEE C#CCCCCn1c(N2CCN([C@@H](C)c3nc(C)no3)CC2)nnc1[C@@]1(OCC)CCOC1 1722321760 BMLNASHNDBIZPM-FDDCHVKYSA-N 457.579 2.308 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@H](c1ccco1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1722359338 LPVGKNBGXKVKDY-TZIWHRDSSA-N 483.594 2.476 30 10 JEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCN(C)Cc2ccccc2)CC1 1722441984 VNUFTPGHOPEHEI-UHFFFAOYSA-N 460.630 2.417 30 10 JEEE C=C(C)COCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2ncccn2)CC1 1722537270 WSNYJXCEWYPPAE-UHFFFAOYSA-N 460.542 2.438 30 10 JEEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1 1722598955 DFVARYXVRJIONW-IERDGZPVSA-N 451.568 2.482 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1CC1(S(C)(=O)=O)CC1 1722654381 MJYQRZRLQOXMRT-UHFFFAOYSA-N 468.583 2.156 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCO[C@H](c2ccc(Br)cc2)C1 1722698011 AYGRWCLILLAVQB-WMZOPIPTSA-N 476.375 2.425 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1722729701 USJADWVOULRWPG-OAQYLSRUSA-N 499.058 2.138 30 10 JEEE CC(C)CC[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1723360489 BPDFSUSUUUDJQZ-YADARESESA-N 467.574 2.130 30 10 JEEE Cc1cc(C)n(Cc2nnc(N(C)C[C@H](C)C#N)n2Cc2ccccc2CN2CC[C@H](O)C2)n1 1725928072 GVJDKEJJWNZBBA-JPYJTQIMSA-N 462.602 2.351 30 10 JEEE COC(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CN(CC(C)C)CCO2)C1 1729777541 DTJQPCZLSROVAM-IFMALSPDSA-N 482.585 2.085 30 10 JEEE N#C[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCNC(=O)c2cc[nH]n2)CCO1 1731188259 CSDGOJSUIICQAT-CYBMUJFWSA-N 461.313 2.134 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC2CCCC2)cc1 1740553430 RZLVCLODLYPTCE-XMSQKQJNSA-N 487.626 2.439 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1Cc1cnn(CC)c1)[C@H]1CCS(=O)(=O)C1 1740618089 BXOCKGZXTUSSMT-SFHVURJKSA-N 490.536 2.438 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@](C)(O)c1ccco1 1740639552 WNPWDBGUQQWLQW-VWLOTQADSA-N 456.506 2.248 30 10 JEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2ccc(OC)c(OC)c2OC)CC1 1740818604 ONYTUIRLQSCFOU-INIZCTEOSA-N 479.603 2.313 30 10 JEEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CCCCS1(=O)=O 1740892830 NVJUMUHETXWYNL-INIZCTEOSA-N 466.633 2.136 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@@H]1c1cnn(C)c1 1740953220 YUSHOUCHPSCIMU-MRXNPFEDSA-N 473.379 2.423 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1740989450 NDQAGOQLRXZVMU-WBVHZDCISA-N 463.991 2.162 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(Cl)cc2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1740993981 LIDRYMIHXDQDQM-VGOFRKELSA-N 497.017 2.496 30 10 JEEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1740996210 IVZAWKFTATVLSI-MRXNPFEDSA-N 493.634 2.145 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1csc2ccccc12)[C@H]1CCS(=O)(=O)C1 1748802227 NRHYFHAULHIYER-KRWDZBQOSA-N 471.608 2.306 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 1748804930 MNYPCDUVWTVILC-URXFXBBRSA-N 472.611 2.302 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H](c1ccc(F)cc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1748824757 SPPZUCTUQALROD-QHAWAJNXSA-N 475.590 2.198 30 10 JEEE C#CCN(CCOC)c1nnc(CC2CC2)n1C[C@@H]1C[C@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1748965079 LYMONKQTSPDRLH-SLFFLAALSA-N 459.591 2.341 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@](O)(c2ccccc2)C(F)(F)F)CC1 1748977783 CUJFMXSENPCWHM-GOTSBHOMSA-N 493.530 2.136 30 10 JEEE C=C(Br)Cn1c(-c2ccccn2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1749098473 ATERMKGDWWDVKZ-UHFFFAOYSA-N 462.396 2.239 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2COc3ccccc3O2)n1CC1(O)CCS(=O)(=O)CC1 1749158564 IUXRUMQNRQVKRT-LJQANCHMSA-N 462.572 2.133 30 10 JEEE C=CCCCCn1c(-c2ccccc2C)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1749395020 BSAHJSIUBQUKFG-UHFFFAOYSA-N 466.586 2.117 30 10 JEEE COCCC1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)CCC1 1749622915 BGDKXJLWKLVETD-SFHVURJKSA-N 472.615 2.494 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCN(CC)C(=O)OC(C)(C)C)C1 1749694272 QLUGIFZESOZXBU-QGZVFWFLSA-N 450.584 2.455 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](C)N(C)c2ccccc2)C1 1749713802 YVWGCXOHPONHNI-IRFCIJBXSA-N 459.616 2.486 30 10 JEEE C=CCSCCn1c([C@@H](C)CC)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1749745359 ZKSQUFYKQRXRAY-INIZCTEOSA-N 467.665 2.264 30 10 JEEE C[C@@](O)(Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1)C1CC1 1751241024 DEBOTTHXXWDCNT-IIBYNOLFSA-N 462.476 2.483 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC[C@@H]1CCO[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1760189826 WXULZTJJXCFDFL-UAFMIMERSA-N 450.605 2.004 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1Cc1ccc(OC)nc1)[C@H]1CCS(=O)(=O)C1 1760190426 QNRPGZONPLSVPY-SFHVURJKSA-N 457.581 2.009 30 10 JEEE C#CCN(c1nnc(COc2ccc(Cl)cc2)n1C[C@@H](C)COC)[C@@H]1CCS(=O)(=O)C1 1760192533 VJHCQGXLBRYJDE-SJLPKXTDSA-N 466.991 2.420 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC1=CCc2ccc(OC)cc21 1760205985 ONNZMHYXBPHQTK-HXUWFJFHSA-N 450.564 2.291 30 10 JEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 1760272561 OKBZDVMKFUZSFQ-GOSISDBHSA-N 469.615 2.341 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC)nnc1N1CCN(C[C@H](O)COc2ccccc2)CC1 1760322884 YTILOIMXGRBNJS-HFMPRLQTSA-N 455.603 2.384 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1760334358 JNLCQPVZIBAAKD-RMJJICAUSA-N 458.607 2.342 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc2c(c1)CCO2 1760336539 BLQSWWYLRVQRDK-OAQYLSRUSA-N 475.615 2.191 30 10 JEEE C=CC1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1760404589 HONYQJIBYFBZGA-QHCPKHFHSA-N 460.600 2.024 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H](NC(=O)CC)C1 1760515892 HPWIDXFTSIIIGQ-DLBZAZTESA-N 458.538 2.354 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC(CC#N)CC1 1760521019 HJYKQBNZPUKBLA-UHFFFAOYSA-N 460.542 2.107 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCNC(=O)c2ccc(C)cc2)C1 1760534379 XGIIFDUJPFAEMK-HXUWFJFHSA-N 452.559 2.034 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Br)nnc1N1CCC(C(N)=O)CC1 1760553072 KOLONNSFKXFNEN-UHFFFAOYSA-N 482.404 2.010 30 10 JEEE CC(=O)N1CC[C@@H](CN(C)c2nnc(COc3ccc(C#N)cc3)n2Cc2ncnn2C(C)(C)C)C1 1760586008 HDEOELWMBFZEIG-FQEVSTJZSA-N 491.600 2.428 30 10 JEEE COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCC(=O)NC(C)C)cc1Br 1768530523 GBOANMTZVQTZIF-OAHLLOKOSA-N 477.363 2.360 30 10 JEEE COC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1769530546 GIXFBUAMVIFBRL-LJQANCHMSA-N 490.630 2.262 30 10 JEEE COc1ccc(S(=O)(=O)[C@H](CNS(=O)(=O)c2ccccc2C#N)c2cccnc2)cc1 1858064953 CJCZGMVFJLOZIP-OAQYLSRUSA-N 457.533 2.455 30 10 JEEE C=CCOc1ccccc1[C@@H]1C(C(=O)N[C@@H]2CCCC[C@@H]2C)=C(N)Oc2c1c(=O)n(C)c(=O)n2C 1865722699 YAXNTZQAJWZFIN-KVSKMBFKSA-N 480.565 2.038 30 10 JEEE CCCCCCCCn1cc(OCC(=O)NCCN(CC)CC)c(=O)cc1CN1CC(O)C1 1870535486 WZLUVWKWKHUUAR-UHFFFAOYSA-N 464.651 2.222 30 10 JEEE C=CCn1cc(OCC(=O)Nc2ccccc2C(=O)OC)c(=O)cc1CN1CCC2(CC1)OCCO2 1870741840 FUFDOZOVKAELKR-UHFFFAOYSA-N 497.548 2.177 30 10 JEEE N#Cc1ccnc(OC[C@H]2CCCN(C(=O)C[C@@H]3CSc4nc5c(c(=O)n43)CCC5)C2)c1 1891290553 ANPDMJIAWUEKOA-DLBZAZTESA-N 451.552 2.353 30 10 JEEE C#CC1(F)CN(C(=O)c2cc(I)cc(I)c2O)C1 2052707839 GOTHQXDMOJQSLC-UHFFFAOYSA-N 471.007 2.399 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1CO 2060127886 NQIOJQFTJKLDQY-GVDBMIGSSA-N 454.568 2.308 30 10 JEEE CC1(C)OB(c2n[nH]cc2C(=O)NC2CCN(C(=O)OCc3ccccc3)CC2)OC1(C)C 2247820987 UKRFXHMLSOBEIJ-UHFFFAOYSA-N 454.336 2.240 30 10 JEEE CC(C)(C)OC(=O)N1CC(CNS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2247881095 RHPCWFSXWIFIFY-UHFFFAOYSA-N 458.411 2.193 30 10 JEEE Cc1cnc(C(=O)NC2CN(C(=O)OCc3ccccc3)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2247938850 AOZGMVPZEBYZEN-UHFFFAOYSA-N 451.332 2.440 30 10 JEEE Cn1cc(C(=O)NC2CCN(C(=O)OCc3ccccc3)CC2)c(B2OC(C)(C)C(C)(C)O2)n1 2255615691 USCQVWPEUPABEQ-UHFFFAOYSA-N 468.363 2.250 30 10 JEEE Cc1sc(C(=O)NC2(CNC(=O)OC(C)(C)C)COC2)cc1B1OC(C)(C)C(C)(C)O1 2255621285 KOMYRYFERJINMK-UHFFFAOYSA-N 452.382 2.379 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2255702383 FTZCAIVGWUEVQK-UONOGXRCSA-N 452.382 2.147 30 10 JEEE CN(C[C@@H](O)CN(C)C(=O)c1csc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)OC(C)(C)C 2255846103 GSVAUEJPKUJPBT-HNNXBMFYSA-N 454.398 2.347 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@H]1CNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2255878813 FUHHZAIINRVONN-CQSZACIVSA-N 452.382 2.413 30 10 JEEE CC(C)(C)OC(=O)N[C@@]12C[C@H]1CN(S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)C2 2255947661 CHZWPHVHINUHKE-RNODOKPDSA-N 470.422 2.335 30 10 JEEE C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1cc(B2OC(C)(C)C(C)(C)O2)cs1 2256625572 YOPJBGLMORWPQZ-XJKSGUPXSA-N 454.398 2.280 30 10 JEEE CC(C)(C)OC(=O)Nc1nc(CC(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)cs1 2256627428 AOFYUCLOUROPER-UHFFFAOYSA-N 467.382 2.244 30 10 JEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC2(O)CN(C(=O)OC(C)(C)C)C2)c1C 2267152214 LOKATWTYBDYTED-UHFFFAOYSA-N 466.409 2.376 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)C[C@H]1CCO 2267290959 JZOQQYQSEMZEOT-OAHLLOKOSA-N 450.341 2.023 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)[C@@H]1C[C@@H]2C[C@@H]2C1 2268720817 BMHYEFLKERUVIM-ZOBORPQBSA-N 464.397 2.137 30 10 JEEE N#Cc1ccc(NS(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)cc1Br 2270520368 CEIHAULVFWBQLQ-INIZCTEOSA-N 482.312 2.442 30 10 JEEE Cn1ncc(C(=O)N[C@@H]2C[C@@H]3C[C@H](NC(=O)OC(C)(C)C)[C@@H]3C2)c1B1OC(C)(C)C(C)(C)O1 2281812451 SUYCFPJSVISDKB-ANQUJSFKSA-N 460.384 2.141 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2C[C@H](B3OC(C)(C)C(C)(C)O3)C2)[C@H]2CS(=O)(=O)C[C@H]21 2281957144 IAFQZFULIWJURN-LUKYLMHMSA-N 484.424 2.104 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@]2(CCN2C(=O)OC(C)(C)C)C1 2281964787 CPDNRSCFSSOJBW-QHCPKHFHSA-N 460.384 2.428 30 10 JEEE CCn1cc(C(=O)N[C@@H]2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)nc1B1OC(C)(C)C(C)(C)O1 2282044107 RKDNSPBMMIHZJK-OWCLPIDISA-N 460.384 2.187 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@]2(CNC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)C1 2282067901 VRSNYGVHPSCTTG-RCDICMHDSA-N 479.408 2.198 30 10 JEEE Cc1cc(C(=O)NCC2(CO)CN(C(=O)OC(C)(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2282126069 FTMDKCLFBCUQAF-UHFFFAOYSA-N 460.380 2.253 30 10 JEEE CO[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282190123 OIQYISTYLPSCKR-ROUUACIJSA-N 461.368 2.135 30 10 JEEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)CC1 2282191196 MDFMFFMKNWMWBC-CABCVRRESA-N 463.388 2.070 30 10 JEEE C[C@H]1C[C@@H](NC(=O)C(F)(F)F)CCN1S(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2282349687 BYMRKUXDDSYWMQ-KBPBESRZSA-N 476.326 2.206 30 10 JEEE C[C@@H](CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 2282607546 KWIFVWKGFQTQQC-RCDICMHDSA-N 481.424 2.180 30 10 JEEE C[C@H]1CN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C[C@]1(C)CNC(=O)OC(C)(C)C 2282629714 ZHBUKLOLLZGERO-WNSKOXEYSA-N 460.384 2.399 30 10 JEEE CC(C)(C)OC(=O)N1CC(C[S@@](C)(=O)=NC(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282664764 HMRQKKVWESDYNR-MGBGTMOVSA-N 479.408 2.486 30 10 JEEE COC1(CCNC(=O)OC(C)(C)C)CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2282676587 MQLQJQJJUSPLQO-UHFFFAOYSA-N 461.368 2.137 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H](CO)C(=O)N1CCCc2cccc(B3OC(C)(C)C(C)(C)O3)c21 2284049333 SPIXDRPFYRLSLW-KRWDZBQOSA-N 460.380 2.398 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2CCC[C@]2(NC(=O)OC(C)(C)C)C1 2362345107 ABVKVUREWTYKBE-CMJOXMDJSA-N 460.384 2.239 30 10 JEEE Cc1cc(CNC(=O)C2(O)CC(NC(=O)OC(C)(C)C)C2)cc(B2OC(C)(C)C(C)(C)O2)c1 2369680019 IYOHZUKGIHJDPU-UHFFFAOYSA-N 460.380 2.329 30 10 JEEE CC(=O)N1CCc2c(sc(NC(=O)[C@@H]3CCCN3S(=O)(=O)c3ccc(F)cc3)c2C#N)C1 8897066 YXFAQFGYYJVOKF-SFHVURJKSA-N 476.555 2.455 30 10 JEEE CCc1nnc(CN(C)C(=O)CSc2n[nH]c(N/N=C/c3c(C)nn(C(C)C)c3C)n2)o1 20905190 FXCVTTYHDIESMP-DNTJNYDQSA-N 460.568 2.341 30 10 JEEE COc1ccc(CCNC(=O)CSc2nnc(N/N=C/c3ccc(C)cc3)n2N)cc1OC 20917419 VWAIYBJLSAFNBA-DHRITJCHSA-N 469.571 2.215 30 10 JEEE CCn1c(=O)sc2cc(S(=O)(=O)N3CCN(C(=O)c4ccc(C#N)cc4F)CC3)ccc21 65032839 RXGADVPQFGLRDS-UHFFFAOYSA-N 474.539 2.240 30 10 JEEE C#CCN(C(=O)c1ccc2c(=O)n(CCc3ccccc3)c(S)nc2c1)[C@@H]1CCS(=O)(=O)C1 729332507 PAKMUTADZSILAG-LJQANCHMSA-N 481.599 2.190 30 10 JEEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CCc1ccccn1 729670062 ZQOUAAAXIZAGAM-KRWDZBQOSA-N 457.559 2.313 30 10 JEEE C#CCNC(=O)C1CCN(C(=O)N[C@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)CC1 1229158171 NQRGMCSHFJFHMB-JOCHJYFZSA-N 453.564 2.351 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccccc1CN1CC[C@H](O)C1 1286273622 FRDXCLOOSHKNAA-CHZKFRDHSA-N 467.614 2.392 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OCCC)c(OC)c2)n1CC1(C(N)=O)CCOCC1 1286282545 NYWPOIJCULJLKV-QGZVFWFLSA-N 455.559 2.483 30 10 JEEE C#CCCCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1286318028 LCKCONMEFDICEQ-UHFFFAOYSA-N 452.559 2.331 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CCN(CC)C(=O)OC(C)(C)C 1286398311 WBTRTPZEAXCJCY-UHFFFAOYSA-N 451.531 2.255 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)NC(=O)OC(C)(C)C)CC1 1286484982 SSEUBWWFTCOYGF-LJQANCHMSA-N 479.585 2.397 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCNC(=O)C2CC2)CC1 1286487041 CKSCWNLPKLEQIW-KRWDZBQOSA-N 482.560 2.049 30 10 JEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 1286494928 QRURNBPABRAFBN-UHFFFAOYSA-N 487.029 2.383 30 10 JEEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](C(=O)OC)C1 1286500309 QMAORJLCRIZSKJ-QGZVFWFLSA-N 462.597 2.104 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC[C@H](C(=O)NC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1286561432 FFITXRGFZKQMJF-KCOOYEKVSA-N 461.607 2.262 30 10 JEEE C=CCCOCCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1286716301 JPFNSQWFWZLIRD-LUVDPRQJSA-N 450.580 2.368 30 10 JEEE C=CCOc1ccc(Cn2c(Cn3nc(C)cc3C)nnc2N2CCCN(S(C)(=O)=O)CC2)cc1 1286795416 BJRPOGCRSYRYGQ-UHFFFAOYSA-N 499.641 2.225 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC[C@H]2CCOC2)C1 1286803804 KCIODPNSTOQWQE-ICSRJNTNSA-N 475.615 2.403 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(C[S@@](C)=O)cc2)C1 1286811712 HDTWLGAQNTZBAB-MQFAKOPTSA-N 457.600 2.109 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N(C)CC(=O)Nc1cccc(Cl)c1 1286820876 UMIKVVFXKBTIKT-OAHLLOKOSA-N 467.979 2.111 30 10 JEEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc2c(c1)OCC(=O)N2C 1297023203 CESWNBPJOUZDJI-MRXNPFEDSA-N 456.524 2.278 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Sc1ccccc1 1300309762 VKEDYUNDJCQTGL-YQVWRLOYSA-N 463.629 2.250 30 10 JEEE C#CCCCCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1300341670 JYWCBFHUUPBSAX-OAHLLOKOSA-N 454.394 2.473 30 10 JEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2ccccc2OCC)CC1 1300363181 CHQCYBIYKQNOPW-HXUWFJFHSA-N 499.637 2.345 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1300485847 ZNCHJRCIGOZZDS-MJGOQNOKSA-N 491.589 2.099 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccc(C)cc1OCC)[C@H]1CCS(=O)(=O)C1 1300488577 STQVWVQWTUSUDL-FQEVSTJZSA-N 468.583 2.061 30 10 JEEE C#CCN(CC)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1300637572 GALJUXVFSBOZHZ-UNMCSNQZSA-N 482.610 2.392 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCSC(C)C)CC1 1300699895 JFGWFOAJCZQNML-LJQANCHMSA-N 478.663 2.483 30 10 JEEE C#CCN1CCN(c2nnc(CCCc3ccccc3)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1300706109 IPEQRALHGHUXBT-QFIPXVFZSA-N 455.628 2.033 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2Cc2ccccc2CN2CCOCC2)CC1 1300712700 VSJAXWCCSUDZGV-UHFFFAOYSA-N 464.614 2.248 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCC2(O)CCOCC2)CC1 1300732185 YPSDKXAVKPDONP-UHFFFAOYSA-N 495.624 2.371 30 10 JEEE C#CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CC(=O)N(C)C[C@@H]1C 1300741335 UFZJWPJYSCKAOT-ZDUSSCGKSA-N 451.394 2.079 30 10 JEEE C=C(Cl)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN([C@H](C)C(=O)NCCCOC)CC1 1301029197 KMAZYOYPRCZGGQ-QGZVFWFLSA-N 490.992 2.090 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1301492911 RFMOYAHCFUQHCZ-ZBFHGGJFSA-N 494.390 2.259 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(c2c(F)cccc2OC)CC1 1301506012 FEZZWJIQMKWZKK-UHFFFAOYSA-N 465.533 2.040 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCSC(C)(C)C1 1301589207 PFCYWLSNJMJYHH-UHFFFAOYSA-N 491.687 2.385 30 10 JEEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CC[C@@H](F)C2)CC1=O 1301927282 AUCYAFPAWMBPON-RBUKOAKNSA-N 456.522 2.162 30 10 JEEE CCc1ccccc1OCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCS(C)(=O)=O 1305984841 CXJWEUVKIWWBIJ-UHFFFAOYSA-N 495.609 2.057 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCOC(C)C)c1 1358902816 ZYGBSEVGIWGRRE-IBGZPJMESA-N 473.599 2.052 30 10 JEEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(CC)CC1)[C@@H]1CCS(=O)(=O)C1 1358956503 GSVQBHZNXOHGLT-XMSQKQJNSA-N 450.605 2.136 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1cc(COC(C)(C)C)on1)[C@@H]1CCS(=O)(=O)C1 1358961502 ADDNCRLRWZRLKC-QUCCMNQESA-N 491.614 2.498 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1358971502 YHPUFGGROAXBAO-IBGZPJMESA-N 486.418 2.051 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCNC(=O)c1occc1C 1359007779 VTRUHMMREARGLO-UHFFFAOYSA-N 473.537 2.373 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc2c(c1)CCCN2C 1359018234 IVTWHGYZUBCLQK-UHFFFAOYSA-N 459.554 2.442 30 10 JEEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C)nc(C(C)C)n2)CC1 1359055441 DOXHVVCHMUBOOJ-GOSISDBHSA-N 468.631 2.144 30 10 JEEE C=C(C)COCCn1c(-c2ccccc2F)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1359130245 CZNZGJGUTBBDQW-IBGZPJMESA-N 493.605 2.308 30 10 JEEE C=C1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1359169272 AZUUUJKJPVJAQU-GBESFXJTSA-N 494.662 2.487 30 10 JEEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1359345294 ASDIANXMJNIVKJ-FQEVSTJZSA-N 456.620 2.469 30 10 JEEE C=CCN(CC(=O)OCC)C(=O)CN1CCN(Cc2ccc(Br)cc2F)CC1 1466159538 KZJMXRITHFOCFV-UHFFFAOYSA-N 456.356 2.284 30 10 JEEE CC[C@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CC(C)(C)N1CCOCC1 1495722160 GMKZWLPEMREYPB-SFHVURJKSA-N 469.638 2.143 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H](C(C)C)N1CCOCC1 1507531494 ASTRJYRYVUKHGZ-KNQAVFIVSA-N 477.613 2.490 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1[C@H]1C[C@H](c2ccccc2F)C1 1507537449 IIRBEQNONXZARB-VIPLHTEESA-N 461.563 2.327 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)CC)n2CCN2CCN(C(C)=O)CC2)c1 1507549307 ZFGBRBFGMYFKEP-LJQANCHMSA-N 465.602 2.012 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H](C)c1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1507634334 JUPSVSRFFUSLGR-OXQOHEQNSA-N 468.583 2.299 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCO[C@@H]1CCCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1507637106 HIAZSOVYNYMPSL-ITBHCLRTSA-N 494.658 2.224 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)COCCO2)n1 1507715847 DGPMWWRKDMFHDZ-RUZDIDTESA-N 475.553 2.105 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cc(Br)cs2)CC1 1507733777 MCZKWFQJZILSQV-UHFFFAOYSA-N 493.431 2.254 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CCNc2nccc(C(F)(F)F)n2)CC1 1507740859 ZZWXDNARTOVDEX-UHFFFAOYSA-N 476.507 2.117 30 10 JEEE C=C(Br)Cn1c(Cc2ccsc2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1507788717 PWNGQANGMKHYGX-CQSZACIVSA-N 460.423 2.357 30 10 JEEE C=C(C)COCCn1c(-c2cccnc2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1507843440 XSQPSQDYZVMZTQ-UHFFFAOYSA-N 450.547 2.366 30 10 JEEE C=C(Cl)Cn1c(COc2ccccc2CC)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1507871993 DRCXAUBAVGBDBQ-UHFFFAOYSA-N 489.020 2.153 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](c2ccc(Cl)cc2)C1 1508073952 ZSLDEGXJHJTLHM-GOSISDBHSA-N 458.950 2.048 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCN(C)C(=O)[C@@H]1C 1508078824 JWZAICPECNHHIN-SFHVURJKSA-N 454.575 2.339 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1508084083 HKIZHHIIGWDCMO-UHFFFAOYSA-N 471.675 2.227 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(N2CCCC2=O)CC1 1508099511 ZYGVDHRBKQZWFK-WIYYLYMNSA-N 458.607 2.090 30 10 JEEE CN(C)C(=O)CC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCCS2(=O)=O)CC1 1516957776 GTEXIXBJYUEXHA-OAQYLSRUSA-N 484.626 2.479 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CCC2CCN(CC)CC2)c1 1539042207 CQZPJRULUXFHAY-QFIPXVFZSA-N 477.613 2.407 30 10 JEEE C#CCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(N2CCOCC2)CCSC1 1539193906 MJEOJTDKLXHVBB-QHCPKHFHSA-N 452.584 2.006 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H](C)Oc1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 1539212205 SXUXKIUAHNRSRW-MOPGFXCFSA-N 481.578 2.443 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@@]2(O)CCO[C@H]2C)CC1 1539437545 DRGQFOKGEJQHFN-JTSKRJEESA-N 474.403 2.311 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](c2ccc(C)cc2)N(C)C)CC1 1539477742 XIRSDGGOTIDYIP-QHCPKHFHSA-N 474.613 2.256 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCc2sc(C)nc2C)CC1 1539482163 RJWCILJAMBLWEK-IBGZPJMESA-N 456.616 2.454 30 10 JEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2ccc(F)c(F)c2)C1 1539496270 FJCJUCXPULOEEL-RDTXWAMCSA-N 485.582 2.111 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1CCS(=O)(=O)C1 1539533956 JNPDHSRANFJONM-VGOFRKELSA-N 476.002 2.288 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1539595803 GDSSYRCLQDXCHL-CVEARBPZSA-N 474.425 2.433 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1539751656 ROJPQANHUSUJDI-MOPGFXCFSA-N 451.637 2.084 30 10 JEEE C=CCn1c(N2CCN(CC(=O)N3C[C@@H](C)C[C@@H](C)C3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1540861081 AQHKNJCOQBEKJW-TYBLODHISA-N 474.650 2.131 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN(C)C2CCCCC2)C1 1540892099 FMVAUHKAXHFXJQ-UYAOXDASSA-N 451.637 2.226 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@@H](CC)C1 1540901950 VWDZMJBJETXJFP-MRXNPFEDSA-N 466.633 2.075 30 10 JEEE CC(C)NC(=O)c1nnc(N(CCC#N)CC2CC2)n1Cc1ccccc1N1CCOCC1 1541644439 DDLLIZPLVUJPIU-UHFFFAOYSA-N 451.575 2.431 30 10 JEEE C#CCn1ccc(CN(CCOC)C(=O)c2ccc(S(=O)(=O)N3CCCC[C@H]3C)cc2)n1 1543692747 SSXSLORRELBCQD-LJQANCHMSA-N 458.584 2.368 30 10 JEEE C#CCOc1ccc(F)cc1NC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O 1587189619 VSJQJEDFSMOSLD-MRXNPFEDSA-N 458.467 2.414 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1CCc1ccc(S(N)(=O)=O)cc1 1587574180 DCTBFRKLMZRPKU-CQSZACIVSA-N 491.415 2.394 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)Nc3ccccn3)n2CC2(C)COC2)c1 1587684594 ZUSCIOMMXSEJQT-UHFFFAOYSA-N 459.510 2.018 30 10 JEEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1587861450 MBLVCNBNMHDXGL-BZSNNMDCSA-N 483.635 2.258 30 10 JEEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1cccc(S(=O)(=O)NC)c1 1588025335 WZAQNUVFBNXMSG-HDICACEKSA-N 488.614 2.075 30 10 JEEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1588035823 YAWDUFOJCMVKKB-HOJAQTOUSA-N 490.651 2.412 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCCOC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1588064609 LKHMWBRFXSAZFC-HNNXBMFYSA-N 477.534 2.187 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccccc2OC)n1C[C@]1(O)CCS(=O)(=O)C1 1589251451 ODQFUXNRWXAKNJ-FGZHOGPDSA-N 476.624 2.121 30 10 JEEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](O)CC2(CCCC2)C1 1589404774 LXAMBRQANQSLFG-HUUCEWRRSA-N 459.410 2.220 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCCN(C(=O)C(C)C)CC1 1589568575 KZHLZHCJBHRPIE-SIKLNZKXSA-N 458.607 2.076 30 10 JEEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)NC2CCCCC2)CC1 1593806963 GSECDYLJJJVBFL-OAHLLOKOSA-N 473.043 2.306 30 10 JEEE C=CCN(c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H](N1CCOCC1)C(F)(F)F)C1CC1 1595027045 WRRDNSUCRURUIN-YLJYHZDGSA-N 459.513 2.348 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 1595831496 RAMVJPMDUYDTHS-RBUKOAKNSA-N 492.577 2.270 30 10 JEEE CCS(=O)(=O)N(C)CCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@](F)(C#N)C1 1617347566 AUACSGDZLMTXLM-QFIPXVFZSA-N 486.577 2.244 30 10 JEEE CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)N2CCC[C@H](C)C2)CC1 1618826557 GSSZQKZWXLWNMM-OALUTQOASA-N 450.591 2.399 30 10 JEEE COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](c2ccco2)N(C)C)CCO1 1619753906 GMSQVXGBIQSDAX-RTWAWAEBSA-N 466.542 2.476 30 10 JEEE CC1CCC(C#N)(N(C)C(=O)[C@H](C)N(C)CCOc2ccc(S(N)(=O)=O)cc2F)CC1 1654700665 HNIRDDKMUCHXEW-TZQQIIETSA-N 454.568 2.103 30 10 JEEE C#CCOc1ccc(F)cc1NC(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] 1659597547 ZUWGKWIKZAUZQW-UHFFFAOYSA-N 450.448 2.383 30 10 JEEE CC(C)CNC(=O)[C@H]1CSCN1S(=O)(=O)c1cc(Br)c(C#N)cc1F 1660531034 CHJNNLZICWERAG-CYBMUJFWSA-N 450.355 2.296 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1CCCn1cc(CO)nn1 1689837904 PAOQSJAYPWUWTG-LBPRGKRZSA-N 450.366 2.401 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3CC)n2C[C@]2(OC)CCOC2)CC1 1690152427 KODPHFSOKAQDHF-AREMUKBSSA-N 481.597 2.191 30 10 JEEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 1690327944 BGKZPQMIQFTQFX-IAQYHMDHSA-N 459.922 2.171 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cccc(OCC)c2)CC1 1690375685 QXWRSOZFBWAFOD-HXUWFJFHSA-N 461.588 2.214 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(C(=O)c2ccccn2)CC1 1690665394 BPBCBQBRQVVNTE-UHFFFAOYSA-N 495.971 2.267 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1690677076 MDTXTFJCYQFOQI-UHFFFAOYSA-N 496.612 2.397 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2C[C@@H](F)COC)C1 1690696925 LVWZUUJONRLALI-CVEARBPZSA-N 452.556 2.004 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1C[C@@H](C)O[C@H](c2ccccc2)C1 1690722720 SWZKOTMFDILZOV-XLIONFOSSA-N 454.556 2.302 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(CCN2[C@@H](C)CC[C@@H]2C)CC1 1690724117 IJQXTVJYCSVLOP-FKBYEOEOSA-N 494.706 2.115 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCN(c2ccc(C)cc2)CC1 1690726964 RMLVJWINRZLVBY-UHFFFAOYSA-N 466.611 2.500 30 10 JEEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1690749433 CTRXHGRZFIVQCM-UHFFFAOYSA-N 475.707 2.315 30 10 JEEE CC(C)NC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1692564664 GXOUADGEGLFTFL-OAQYLSRUSA-N 451.575 2.238 30 10 JEEE Cc1nn(C)c(N2CCN(c3nnc(-c4cc(Br)c[nH]4)n3CC(C)(C)O)CC2)c1C#N 1693405603 BLXNTMDTBJFMSU-UHFFFAOYSA-N 488.394 2.047 30 10 JEEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2CCCn2ccnn2)c1 1696621105 FKFFOWQLHUMPAR-JOCHJYFZSA-N 483.602 2.007 30 10 JEEE CNC(=O)[C@@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(COC)CCOCC2)C1 1696918697 FOWXPINQSIOZGK-QHCPKHFHSA-N 452.559 2.222 30 10 JEEE C#CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(CC(=O)NC)CC1 1705514580 BPJMGELNJGUUHM-UHFFFAOYSA-N 461.570 2.348 30 10 JEEE C#CCCCCn1c(N2CCN3C(=O)N(C)C[C@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705521797 LUNCEGWVBLLDCW-OTWHNJEPSA-N 471.606 2.408 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Cl)n1C[C@@]1(O)CCSC1)[C@H]1CCS(=O)(=O)C1 1705565354 UGWVABMZSIKQSB-YWZLYKJASA-N 467.016 2.093 30 10 JEEE C#CCN(c1nnc(Cc2ccsc2)n1CCCn1nc(C)cc1C)[C@H]1CCS(=O)(=O)C1 1705570319 OQGUFESILBIUPO-FQEVSTJZSA-N 472.640 2.461 30 10 JEEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H]1CCCCS1(=O)=O 1705582266 XEMKVPMIDMXOAE-HXUWFJFHSA-N 489.642 2.433 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1cnccc1OC 1705590177 DKBMUEXAIHUJLT-UHFFFAOYSA-N 477.594 2.461 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@](C)(O)[C@H](C)CC 1705591469 QONOOQAXPPAOKL-DVECYGJZSA-N 471.627 2.455 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1CCNC(=O)c1cccs1 1705624670 KQLLXTCCJRASOF-UHFFFAOYSA-N 453.524 2.251 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C3(c4ccccc4)CCC3)n2CC(C)(C)C(=O)NC)CC1 1705645187 NFXVTPVLHHOBTO-UHFFFAOYSA-N 476.625 2.486 30 10 JEEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1705654625 OETLIOJANHMXIQ-XLIONFOSSA-N 456.572 2.377 30 10 JEEE C=C(Br)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C(N)=O)CC1 1705687962 LZLAOEIQBUJBBU-HNNXBMFYSA-N 499.410 2.197 30 10 JEEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1705734449 PMMDNEQMKPDLSM-UHFFFAOYSA-N 452.563 2.310 30 10 JEEE C=C(Cl)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 1705744492 FOVZVYLGSFMLLJ-UHFFFAOYSA-N 457.966 2.027 30 10 JEEE C=CCN(CCc1ccco1)c1nnc(C(=O)Nc2ccccn2)n1C[C@@]1(O)CCO[C@@H]1C 1705878637 VUVCYSGSOZJUIO-HXOBKFHXSA-N 452.515 2.293 30 10 JEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1ncnn1CC(F)F 1705891081 YBMKXNXJDABLAF-AWEZNQCLSA-N 468.509 2.266 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1705898642 SBVKGTYDKLLWMS-KRWDZBQOSA-N 474.993 2.068 30 10 JEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCN(c2cccc(OC)c2)CC1 1705905977 NBOFJBWKZJCDBW-UHFFFAOYSA-N 467.599 2.271 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CCC2(CC1)COC(=O)N2 1705933845 SWPIRUMHDDRFMW-UHFFFAOYSA-N 459.572 2.187 30 10 JEEE Cc1cccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(CCC#N)CC2CC2)c1 1707616208 CENSBXCRDKBBDM-FQEVSTJZSA-N 458.588 2.098 30 10 JEEE Cc1nccn1CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1707789790 DGANWHUYQUQNSN-HXUWFJFHSA-N 482.614 2.130 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H](c1ccco1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1722358626 DUKOFXILWBCNFF-WOJBJXKFSA-N 498.565 2.376 30 10 JEEE C#CCN(c1nnc(CC2CCCC2)n1Cc1ccc(C(=O)NCC)cc1)[C@@H]1CCS(=O)(=O)C1 1722372474 XLBZFUPQUZLLKB-JOCHJYFZSA-N 483.638 2.436 30 10 JEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 1722440094 BMFHIUHGOYLMCU-OAQYLSRUSA-N 482.633 2.294 30 10 JEEE C#CCSCCn1c(-c2ccccc2OC)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1722456757 DZMHKSSGAKKJCG-UHFFFAOYSA-N 463.629 2.180 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)NCC)CC1 1722508409 JAGBAPPWDQUJAD-XLIONFOSSA-N 459.620 2.467 30 10 JEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(c2cnn(C)c2)CC1 1722603832 OEYZOILPWLOUFC-FQEVSTJZSA-N 477.635 2.085 30 10 JEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1c(F)cccc1F)C1CC1 1722651630 WPLNKUROLZMCJA-LJQANCHMSA-N 467.542 2.287 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1722701863 GVONGJSVJMPUHV-RUZDIDTESA-N 479.585 2.262 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](c2ccc(F)cc2F)C1 1722727960 MFEWZYIQVQJNSB-HNAYVOBHSA-N 468.526 2.239 30 10 JEEE CC(C)(C)OC(=O)NCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@](F)(C#N)C1 1722998760 BXILJZIDWKSJOB-OAQYLSRUSA-N 478.550 2.315 30 10 JEEE CC(C)[C@H]1OCCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1723245854 BSTHWWAIMIHHCX-NHCUHLMSSA-N 472.615 2.350 30 10 JEEE C[C@@H]1CCCC[C@@H]1OCCn1c(-c2cccc(C#N)c2)nnc1N(C)CCNS(C)(=O)=O 1726531754 HTNLKSUMDJBANN-XLIONFOSSA-N 460.604 2.397 30 10 JEEE CCOC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N2CCCCC2)CC1 1728695723 DEJZCYFUCCJFTO-UHFFFAOYSA-N 465.558 2.498 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CC1(OC)CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1740615560 GWAJCDQQGZRPGT-WLBKGHODSA-N 493.674 2.419 30 10 JEEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cccnc1-n1cccn1 1740648437 GVZHTBSILQXRME-VWLOTQADSA-N 459.554 2.411 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC2([S@@](C)=O)CCC2)CC1 1740692380 JGVFBXPXHMUEPE-MUUNZHRXSA-N 465.421 2.092 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(Br)c3)n2Cc2nncn2CC)CC1 1740693436 YFNPSNSSIFPQFQ-UHFFFAOYSA-N 455.364 2.123 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CC(C)(C)N2C[C@H](C)O[C@H](C)C2)CC1 1740704222 KCYYFTLYNMZNEG-BGYRXZFFSA-N 479.629 2.194 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)CCNS(C)(=O)=O 1740751788 OOUZDSKOJDZYOJ-QUCCMNQESA-N 490.630 2.114 30 10 JEEE C=C(Cl)Cn1c(COc2cccc(C)c2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1740813517 HZQZSJABDFREMP-UHFFFAOYSA-N 460.966 2.091 30 10 JEEE C=CC1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCCN2CCOC2=O)CC1 1740835245 JFVXCWSIBRSXEF-UHFFFAOYSA-N 488.614 2.440 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@](C)(O)c2cc(C)oc2C)CC1 1740840124 SRPIUWZDQVWDLK-NFBKMPQASA-N 493.630 2.131 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCOCC2(CC2)C1)C(C)C 1740926585 IFGSFAHKHBFEEP-NHCUHLMSSA-N 477.675 2.496 30 10 JEEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCN(CC(=O)Nc2c(C)cccc2C)CC1 1740960798 BERLIDMUZWKIPF-UHFFFAOYSA-N 467.618 2.156 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCO[C@H](COc2ccccc2)C1 1740990551 VREYQPPKGKIWFR-NRFANRHFSA-N 469.567 2.225 30 10 JEEE CC(=O)NCC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2([S@](C)=O)CCC2)CC1 1741101701 GGBLHKMQFBGYRV-UMSFTDKQSA-N 484.626 2.382 30 10 JEEE CC(=O)NCC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2([S@@](C)=O)CCC2)CC1 1741101702 GGBLHKMQFBGYRV-UUWRZZSWSA-N 484.626 2.382 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](c1c(F)cccc1F)N(C)C 1741123889 BPSBOUAPBPFWSQ-CKEIUWERSA-N 469.562 2.065 30 10 JEEE CCN1CCN(C[C@@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@](C)(C(=O)NC)C2)CC1 1746459543 DGHSDDQMRODDSM-IBVKSMDESA-N 478.645 2.053 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1CC(=O)N(C)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1748804446 HTTAJRARRSNJRP-UYAOXDASSA-N 457.600 2.077 30 10 JEEE C#CCN(c1nnc(Cc2c[nH]c3ccccc23)n1CCNC(=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1748821344 PPDSHEFBDVJRRH-IBGZPJMESA-N 496.637 2.139 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(C(F)(F)F)c1 1748864158 RTMBEDQKAZIFRV-HNNXBMFYSA-N 453.490 2.418 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2Cc2conc2COC)CC1 1749006005 FETQZSIRHXBBHC-UHFFFAOYSA-N 464.526 2.102 30 10 JEEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1749040199 QRNOYNIGAJGUDJ-GOSISDBHSA-N 459.583 2.007 30 10 JEEE C=C(Br)Cn1c(Cc2ccsc2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1749106297 APMMQHOEYOFEEH-UHFFFAOYSA-N 465.421 2.240 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(N2CCCCC2=O)CC1 1749354594 UTXLMYMAFAJRGU-QGZVFWFLSA-N 466.652 2.472 30 10 JEEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC(c2ccnn2C)CC1 1749676908 HQVRURUMHCBDGA-UHFFFAOYSA-N 463.586 2.492 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](c2ccccc2)N2CCOCC2)C1 1749693446 IZDKNVWHJQGKRP-FGZHOGPDSA-N 468.602 2.271 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1749698341 TZPVFVNTJWGLLH-FXAWDEMLSA-N 497.415 2.039 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1749737013 WEXKCRRCUHWTSP-GOSISDBHSA-N 472.590 2.411 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1749738431 MRKREEFOGYZTTP-GOSISDBHSA-N 453.609 2.327 30 10 JEEE CC(=O)N1CCN([C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCOCC(F)F)C[C@H]2C)CC1 1749883020 LFDYUWKKKYXTQN-DYESRHJHSA-N 487.555 2.087 30 10 JEEE CS(=O)(=O)c1ccc(OCCn2c(Cc3cccnc3)nnc2N2CCC(C#N)CC2)cc1 1750191681 BQGRTHBVNZZSBN-UHFFFAOYSA-N 466.567 2.486 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccc2c(c1)C(=O)NCC2 1760195563 GFYJUWKOTMBCAG-UHFFFAOYSA-N 463.339 2.443 30 10 JEEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1CC1(N2CCSCC2)CCCCC1 1760250122 DRZJBZRMCOXFMC-UHFFFAOYSA-N 474.675 2.238 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@H]2NC(=O)CC2(C)C)CC1 1760256400 OVNBBUGPYASZNZ-JOCHJYFZSA-N 480.613 2.411 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2C[C@](C)(O)[C@H](C)CC)CC1 1760268238 GJXBUGUZUDHKSB-QUGAMOGWSA-N 491.596 2.357 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2CCCN2CCCO[C@@H](C)C2)CC1 1760269984 RAMMVNBIVOOPJY-FQEVSTJZSA-N 456.635 2.402 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OC)n2C[C@H]2CC=CCO2)CC1 1760273034 GTNVKQJOZVZQBX-HXUWFJFHSA-N 465.554 2.177 30 10 JEEE C#CCSCCn1c(COc2ccccc2CC)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1760285863 SZDVGNFLSMNLCC-UHFFFAOYSA-N 498.653 2.360 30 10 JEEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1760422268 KEQAYPPVHLTTCG-YJBOKZPZSA-N 450.613 2.294 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](c2ccccc2C)C1 1760558959 GPKJMZIYFKAIRJ-NNWRFLSQSA-N 490.626 2.489 30 10 JEEE CC[C@H](C)NC(=O)c1cccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@H](C)C#N)c1 1762026165 HKRYXCPGKRPNDH-UWVAXJGDSA-N 472.615 2.353 30 10 JEEE CS(=O)(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCSC2)CC1 1771362666 GZKXOGZXOPVOFQ-QGZVFWFLSA-N 460.629 2.478 30 10 JEEE C=CCNC(=O)[C@H](Cc1ccc(OC(C)=O)cc1)NC(=O)c1cccn(Cc2ccccc2)c1=O 1861296461 HAGIFRAHKVFMJU-DEOSSOPVSA-N 473.529 2.465 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccccc2C(=O)O)cc1OC 1862572246 AEFRMGPYBQIKQS-JOCHJYFZSA-N 496.516 2.313 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCNC(C)=O)[C@@H]2c2ccc3c(c2)OCCO3)cc1OC 1862574186 NBNQQDJUQJZHRO-JOCHJYFZSA-N 482.489 2.189 30 10 JEEE C=CCOc1ccccc1[C@@H]1C(C(=O)N2CCC(C(N)=O)CC2)=C(N)Oc2c1c(C)nn2CC 1865223936 IKNQVRZXYQOZIB-FQEVSTJZSA-N 465.554 2.195 30 10 JEEE C=CCOc1ccccc1[C@@H]1C(C(=O)N2CCC(CO)CC2)=C(N)Oc2c1c(CC)nn2C 1865224940 KNBIQSQGVPOYQX-FQEVSTJZSA-N 452.555 2.473 30 10 JEEE CC(=O)Nc1nc(-c2cccs2)c(CC(=O)N[C@H](CO)C(=O)Nc2ccccc2C#N)s1 1866637395 VVLFJUXKQTYCQF-OAHLLOKOSA-N 469.548 2.360 30 10 JEEE C=CCN(CC=C)c1nc(NC(=O)COc2cccc(C)c2C)n([C@@H]2CCS(=O)(=O)C2)n1 1870005012 SUXSZZVVAXZUKX-GOSISDBHSA-N 459.572 2.450 30 10 JEEE C=CCn1cc(OCC(=O)N=c2nc3nc(C)cc(C)n3[nH]2)c(=O)cc1CNc1ccccc1 1870852636 IVDCCUGMRDJRKF-UHFFFAOYSA-N 459.510 2.140 30 10 JEEE C=CCn1nc(C(=O)Nc2ccc(S(=O)(=O)NC(C)=O)cc2)c(I)c1C 1871333303 ONXAILHFAINCPV-UHFFFAOYSA-N 488.307 2.059 30 10 JEEE CC(C)N1C(=O)CS[C@H](C(=O)NCC2(OCCO)CCSCC2)[C@H]1c1ccc(C#N)cc1 1890252149 YNEHOGDNHSYDLE-RTWAWAEBSA-N 477.652 2.343 30 10 JEEE CC1(C)OB(c2ccc(C(=O)N[C@H]3CCOC[C@H]3NC(=O)OCc3ccccc3)o2)OC1(C)C 2255712913 TZFSPLNGJPKUNZ-ZWKOTPCHSA-N 470.331 2.393 30 10 JEEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N(Cc1ccccc1)CC(F)(F)F 2255949483 ZGABWAQADYJWLU-UHFFFAOYSA-N 459.299 2.473 30 10 JEEE Cn1nc(C(=O)N[C@@]23C[C@@H]2CN(C(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2267186263 HCMBTAIIMLCOPZ-XUSGNXJCSA-N 466.775 2.112 30 10 JEEE CC1(C)OB(c2cncc(S(=O)(=O)N(Cc3ccccc3)Cc3cc[nH]n3)c2)OC1(C)C 2267347175 MDPJHNBCHJUGSA-UHFFFAOYSA-N 454.361 2.495 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N(CCC(N)=O)Cc1ccccc1 2267364991 ILQQWFCEQFMJDR-UHFFFAOYSA-N 458.389 2.361 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(NS(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2267468479 WBDRJHIENJCJLU-QVKFZJNVSA-N 484.449 2.476 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@H](CCNC(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267483013 MHPJTHCHUVFLEL-MRXNPFEDSA-N 450.341 2.335 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1F 2267596396 JLHDNZIHPNQWQB-CVEARBPZSA-N 451.348 2.402 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@H](NC(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2F)C1 2281778275 RBGSHEKYJHOIJW-OAHLLOKOSA-N 464.343 2.491 30 10 JEEE Cc1nn(C)c(C(=O)N[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2(C)C)c1B1OC(C)(C)C(C)(C)O1 2281977961 WJFDIJMTLUWNAA-LSDHHAIUSA-N 462.400 2.449 30 10 JEEE CC(C)(C)OC(=O)N[C@@]12CCC[C@]1(F)CN(C(=O)c1cc(B3OC(C)(C)C(C)(C)O3)n[nH]1)C2 2281989159 WHRDOXKLQIAQPE-FCHUYYIVSA-N 464.347 2.320 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@]2(F)CCCN(C(=O)OC(C)(C)C)C2)n1 2282046238 IPEZDKMISCXJGK-JOCHJYFZSA-N 466.363 2.188 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@]2(CCN(C(=O)c3csnc3B3OC(C)(C)C(C)(C)O3)C2)C1 2282062669 BOKQBORPKQKJOP-JOCHJYFZSA-N 479.408 2.294 30 10 JEEE CC(C)(C)OC(=O)NCCCOCCNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2282336234 ACFOHFJKCMANGY-UHFFFAOYSA-N 484.424 2.196 30 10 JEEE C[C@@H]1C[C@@H](NC(=O)C(F)(F)F)CN(S(=O)(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282350330 LJQICPPCEIVDAT-UKRRQHHQSA-N 476.326 2.063 30 10 JEEE CO[C@H]1CN(C(=O)c2c(F)cccc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1NC(=O)OC(C)(C)C 2282466192 ZBFCJLNRVUPVRD-IRXDYDNUSA-N 464.343 2.489 30 10 JEEE CC(C)(C)OC(=O)NCC[C@H]1CN(C(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)CCO1 2282521273 YFMIYDPRCZDZFL-INIZCTEOSA-N 461.368 2.137 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@]1(CF)CCN(C(=O)OC(C)(C)C)C1 2282582096 RGQUPPVHDGDEER-QFIPXVFZSA-N 466.363 2.107 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H]1COC[C@@H]1CNC(=O)OC(C)(C)C 2282695540 PHQQMMVHHCJWRL-RDJZCZTQSA-N 463.384 2.077 30 10 JEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1O 2282978219 KMDGCTGSXWUJPW-SJLPKXTDSA-N 462.352 2.056 30 10 JEEE COC[C@H](ONC(=O)OC(C)(C)C)C(=O)Nc1ccc(OC)cc1B1OC(C)(C)C(C)(C)O1 2283945989 IIAYLAILBGOHKF-KRWDZBQOSA-N 466.340 2.404 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F)[C@H]1CCOC1 2284049013 QYMQAQBGHOYEJF-XJKSGUPXSA-N 465.331 2.388 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2OCC[C@]2(C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C1 2296391314 HWUPVVSGGPKQIX-PEBXRYMYSA-N 479.408 2.085 30 10 JEEE COC(=O)c1ccc([C@@H]2C(=C(O)c3sc(C)nc3C)C(=O)C(=O)N2CCN2CCOCC2)cc1 2297059737 FVOOWKFFTOMOPT-LJQANCHMSA-N 485.562 2.300 30 10 JEEE Cc1scc(C(=O)N[C@@H]2COC[C@H]2NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2320443481 APRCSOVJZRJIMQ-HUUCEWRRSA-N 452.382 2.378 30 10 JEEE CC(=O)NCc1nnc(SCC(=O)Nc2ccccc2F)n1N=Cc1ccc(O)c([N+](=O)[O-])c1 2330718765 GKFQOVWZSRQHEB-UHFFFAOYSA-N 487.473 2.280 30 10 JEEE CCCNC(=O)CSc1nnc(CNC(C)=O)n1N=Cc1ccc(OCC)c(OCC)c1 2330743741 JCNXIBKPBVPUAY-UHFFFAOYSA-N 462.576 2.212 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H](NC(=O)OC(C)(C)C)CC12CCC2 2362453642 WNNVKGBPETWBRM-HNNXBMFYSA-N 460.384 2.381 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](O)[C@H]1CNc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2365061435 UUYBAMTYIVQKDW-KHKYNALMSA-N 461.368 2.479 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(=NC[C@@H]2CN(C(=O)OC(C)(C)C)[C@H]3CCN2C3)[nH]1 2368761101 XMMFZLAQEKGSAB-RBUKOAKNSA-N 458.412 2.217 30 10 JEEE CC1(C)OB(c2cc(S(=O)(=O)N[C@H](CCO)COCc3ccccc3)ccc2F)OC1(C)C 2369636163 YPBFBJUUKSUTNB-GOSISDBHSA-N 479.379 2.371 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)O[C@@H](C)C(=O)NCC(=O)Nc3c(C)cccc3C)cc2C1=O 24639952 KSORMVVUHBLREP-INIZCTEOSA-N 463.490 2.386 30 10 JEEE CCc1ccccc1NC(=O)C(CC(=O)/C=C\c1cccc([N+](=O)[O-])c1)=NNC(=S)NN 254291493 RQKWGOZSMSPLNI-BKUNMLSWSA-N 454.512 2.462 30 10 JEEE C#CCN(C)CCNC(=O)[C@H](CCC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 757351838 QCRFCBOWMMDDGU-QHCPKHFHSA-N 463.534 2.440 30 10 JEEE C#CCN(C(=O)CCSCc1nc(O)c2c3c(sc2n1)CCC3)[C@H]1CCS(=O)(=O)C1 918756504 UZDNZVWUWRVQKW-ZDUSSCGKSA-N 465.622 2.158 30 10 JEEE CCNS(=O)(=O)c1ccc(NC(=O)CSc2n[nH]c(NN=Cc3cccc(OC)c3)n2)cc1 1083911825 NOAXRCWOOXESKX-UHFFFAOYSA-N 489.583 2.288 30 10 JEEE CCSc1nnc(NC(=O)CSc2n[nH]c(NN=Cc3ccc(O)cc3O)n2)s1 1084001202 HPVWOOUGYBAXDN-UHFFFAOYSA-N 452.547 2.356 30 10 JEEE C#C[C@@H](NC(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O)c1ccc(Br)cc1 1129730434 HSFCADLFEWDBGC-MRXNPFEDSA-N 450.333 2.319 30 10 JEEE C#CC[C@H](NC(=O)Cc1ccc(I)c(Br)c1)C(=O)OC 1161364997 MOVXHAHRVXYYDQ-LBPRGKRZSA-N 450.070 2.277 30 10 JEEE N#Cc1cc(F)ccc1N1CCN(C(=O)NCc2cccc(N3CCCS3(=O)=O)c2)CC1 1233660991 AAGJKRWYLXASRU-UHFFFAOYSA-N 457.531 2.269 30 10 JEEE C#CCCCCn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1286314833 RZMREPSEAAYZJW-OFNKIYASSA-N 485.677 2.379 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](c2cccc(C)c2)C1 1286350185 WVQKBNNNKNFGCU-RTWAWAEBSA-N 457.600 2.327 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCCOC(F)F)[C@@H]1CCS(=O)(=O)C1 1286389157 YQCLPZJFHLAWMF-MRXNPFEDSA-N 454.499 2.210 30 10 JEEE C#CCN(c1nnc(CC2CC2)n1CC(F)(F)CNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1286391789 JEYMNRQBRSVHIS-INIZCTEOSA-N 487.573 2.017 30 10 JEEE C#CCN(c1nnc(Cc2c[nH]c3ccccc23)n1C[C@@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1286394174 VBZSSEHBDJWJQB-JPYJTQIMSA-N 455.584 2.138 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccnc1OC1CCCC1 1286420387 PJYFOLUNAASESZ-GOSISDBHSA-N 470.599 2.116 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2Cc2c(CC)nn(C)c2CC)CC1 1286491362 ONZRGZFTPJHHHY-UHFFFAOYSA-N 474.613 2.136 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H](OC)c2ccccc2)CC1 1286493511 DEQKOOBFXFQYCN-VABKMULXSA-N 481.597 2.356 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@]1(C)CN(C)C1=O 1286515980 ABZRIHKFIFFPBM-XZOQPEGZSA-N 454.962 2.332 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)OCCOC)n1C[C@H]1CCCN1c1cc(NC)ncn1 1286518379 FKVYGXTZXJAOLB-XLNZFTOWSA-N 468.606 2.495 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C(C)=O)cc2F)CC1 1286606184 IQCFZRZIJKRCHQ-FQEVSTJZSA-N 470.549 2.490 30 10 JEEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC([C@H]2CC2(F)F)CC1 1286630997 XZFSELFRISMNTG-HUUCEWRRSA-N 465.954 2.235 30 10 JEEE C=CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(NC(=O)COC)CC1 1286699658 GPMUMBREWDYXRX-IBGZPJMESA-N 492.621 2.284 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CC[C@H](CO)O1 1286739134 PZUVLSWRAROROU-LEWJYISDSA-N 455.559 2.255 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@](O)(Cc2cccc(Cl)c2)C1 1286781623 VVRNTXPZILZRNU-DEOSSOPVSA-N 495.971 2.065 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1286792284 TUFZYBOLZXEDED-CQSZACIVSA-N 488.397 2.089 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)N2CCOCC2)C1 1286813479 VTHXJDDFNXPJLB-KNQAVFIVSA-N 452.559 2.231 30 10 JEEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2ccc(OC)cc2C1 1286823314 LZSDBIGAFFYDQW-HNNXBMFYSA-N 451.618 2.379 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)nnc1C(C)(C)C 1286825045 LBMLHZIDPAHLBH-UHFFFAOYSA-N 462.576 2.411 30 10 JEEE CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](CC)OC)CC1 1291832053 FOMRLXCUPFTXAB-WIYYLYMNSA-N 453.591 2.278 30 10 JEEE C=C(C)Cn1c(SCC(=O)NC[C@@H]2CCC[C@@H]2NS(C)(=O)=O)nnc1-c1ccco1 1295044623 RNKBSHJMULFNSQ-GJZGRUSLSA-N 453.590 2.040 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(C2CCN(c3ncccn3)CC2)n1CCS(C)(=O)=O 1300647693 IZTQXIATVTYSDV-UHFFFAOYSA-N 497.600 2.276 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2Cc2cccnc2OCC)CC1 1300722434 JRXKFTCSWKOCBL-UHFFFAOYSA-N 459.554 2.456 30 10 JEEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1300753854 CEDLFNXBSWRFIQ-NHCUHLMSSA-N 483.686 2.277 30 10 JEEE C#CCSCCn1c(-c2ccccc2F)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1300754894 XVKMXFQAMLNAQV-KRWDZBQOSA-N 456.591 2.240 30 10 JEEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 1300756807 UFOPCWFETKHSDC-HKUYNNGSSA-N 458.632 2.071 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2noc3c2COCC3)nnc1N(C)CC(=O)NC(C)(C)C 1300880266 HQIUOSIYGLSPNP-YWZLYKJASA-N 458.563 2.338 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(CC(=O)NC)CC1 1300895022 LCYWYAWNCOXFPW-KIZRIRGWSA-N 461.607 2.336 30 10 JEEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1300973368 ZMTOJQQHZLKMGX-SFTDATJTSA-N 475.615 2.230 30 10 JEEE C=C(C)COCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1300981310 XPOOFXXUYOEWJG-GOSISDBHSA-N 462.572 2.322 30 10 JEEE C=CCN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC(=O)N1CCOCC1)C1CC1 1301331264 HYVZGOOCSPTZIS-SFHVURJKSA-N 460.579 2.364 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C)[C@@H](O)C1)C(C)C 1301367070 KIFVLLDMRHZOOI-MHTWAQMVSA-N 465.664 2.086 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 1301505985 DQDZTZZSNABGES-GOSISDBHSA-N 457.550 2.332 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCC(S(=O)(=O)CC)CC1 1301514878 NTSZFDGVEZDNHH-UHFFFAOYSA-N 475.615 2.180 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N1CCCO[C@@H](C)C1 1301568246 FKJBKNIXNDLXGT-AWEZNQCLSA-N 472.409 2.262 30 10 JEEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(C)cc1N1CCOCC1 1305789532 FBWSSFYFLMKZNG-NRFANRHFSA-N 481.601 2.119 30 10 JEEE C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)[C@@H](c1ccccc1)N(C)C 1312656792 DBMTWJHXASRYHK-GCJKJVERSA-N 455.584 2.266 30 10 JEEE COCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC2CCOCC2)CC1 1315961853 ASGYFVIXIWAHMT-VWLOTQADSA-N 468.602 2.153 30 10 JEEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1358915694 MLTUGAGARQZTBB-QHCPKHFHSA-N 456.616 2.374 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(-n2nc(C)cc2C)nc1 1358983937 BJPXQNXYMDJRIR-GMAHTHKFSA-N 459.554 2.321 30 10 JEEE C#CCN(CCOC)c1nnc(COc2ccc(Cl)cc2)n1CC1CCS(=O)(=O)CC1 1359026888 NRGBANNPXSQEMU-UHFFFAOYSA-N 466.991 2.421 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2Cc2ccnc(OC3CCOCC3)c2)CC1 1359041043 LVXDFAYSKYQURG-UHFFFAOYSA-N 466.586 2.368 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCN2CCOC[C@H]2C)CC1 1359041349 UCYZYAQBDQEWID-UXHICEINSA-N 498.603 2.244 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CC(=O)Nc2ccc(F)cc2)CC1 1359044226 AAHVIWUYEFLCMD-HXUWFJFHSA-N 468.533 2.263 30 10 JEEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](c2ccc(F)cc2)C1 1359048890 CXKDUFAETNQZOX-DOTOQJQBSA-N 451.593 2.388 30 10 JEEE C#CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1359052737 OJUDFLTVOBLQMW-QGZVFWFLSA-N 463.629 2.086 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H]1CCCOC1 1359189660 QROFBFKGDLYPDT-QZTJIDSGSA-N 455.625 2.076 30 10 JEEE C=CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC(OCC(N)=O)CC1 1359214144 SOJAOJGHRNMPHE-UHFFFAOYSA-N 465.558 2.112 30 10 JEEE CC(=O)N1CCC(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CC(=O)NC(C)(C)C)CC1 1359364870 GWAMHZSQGAQPOR-UHFFFAOYSA-N 451.575 2.426 30 10 JEEE CC(C)CC[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1359888552 FJKAJWOTEIDHOD-FDDCHVKYSA-N 474.631 2.474 30 10 JEEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCC(CC#N)CC3)n2CCCc2cnn(C)n2)c1 1503408168 BNJPIUFODLURAS-UHFFFAOYSA-N 497.629 2.087 30 10 JEEE COCCN1C[C@@H](Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CC[C@@](F)(C#N)C2)CC1=O 1504897644 DDALPKBCFQKQJF-MHECFPHRSA-N 483.548 2.084 30 10 JEEE C#CCN(c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC(=O)NCC=C)[C@H]1CCS(=O)(=O)C1 1507630095 ZKSJFYDMJKTJFZ-FQEVSTJZSA-N 469.611 2.172 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(F)ccc2Br)n1C[C@H]1CCC(=O)N1 1507705902 IEYZBYCSEQMINX-CQSZACIVSA-N 450.312 2.211 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H]2OCC[C@H]2C)CC1 1507733037 NJMWWZMQBNXRJW-YSTOQKLRSA-N 458.607 2.229 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCCOC2CCCCC2)CC1 1507738798 YVXFXAQZTWYSTJ-UHFFFAOYSA-N 451.575 2.440 30 10 JEEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 1507756351 MVOMJQHWWIQPFK-GMAHTHKFSA-N 495.697 2.447 30 10 JEEE C=CC[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(N)=O)C1)c1ccccc1 1507928027 HJMDZTJBKBPEEA-VAMGGRTRSA-N 457.600 2.242 30 10 JEEE C=CCCOCCn1c(Cc2c(F)cccc2F)nnc1N1CCCN(S(C)(=O)=O)CC1 1507964872 MTWYSPCXAJZMMT-UHFFFAOYSA-N 469.558 2.212 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H]2CCCCO2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1508102792 AOYDUYNMBYJBSJ-UNMCSNQZSA-N 455.559 2.474 30 10 JEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1Cc2ccc(Br)cc2C1 1508142786 GSBPRJTTZLSOIW-UHFFFAOYSA-N 494.415 2.284 30 10 JEEE C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1)N(C)C1CC1 1510017858 GHRCMVCOHRDMNL-HKUYNNGSSA-N 471.631 2.065 30 10 JEEE CC[C@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCN1CCOC(C)(C)C1 1513023433 BQVNQUAKICLLNH-RBUKOAKNSA-N 467.622 2.279 30 10 JEEE CS(=O)(=O)c1cc(Br)cc(C(=O)N2CC(=O)Nc3ccc(C#N)cc32)c1F 1535151612 DWJHXONIWQBODW-UHFFFAOYSA-N 452.261 2.462 30 10 JEEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(OC(F)(F)F)ccc2Br)C1=O 1538739373 CJSVHUJPNRXCIY-UHFFFAOYSA-N 450.167 2.263 30 10 JEEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCC(=O)N1CCCCCC1 1539167349 BMVPOMLONPVZJK-UHFFFAOYSA-N 457.604 2.100 30 10 JEEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(N(C)C)CCSC1 1539178218 FQQRLPUPAKHFMZ-JTSKRJEESA-N 464.636 2.093 30 10 JEEE C#CCN(c1nnc(COCC)n1C[C@H]1SCCc2ccccc21)[C@H]1CCS(=O)(=O)C1 1539230198 CYESURDRHUCGPQ-AZUAARDMSA-N 460.625 2.472 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2CCCCCS(C)(=O)=O)CC1 1539434877 WWWPHNNBBZSKFL-UHFFFAOYSA-N 497.463 2.016 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC2(CC)CCOCC2)CC1 1539490477 WECQTSQFDHBJKM-SFTDATJTSA-N 473.618 2.175 30 10 JEEE C#CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(CCOCC)CC1 1539511119 QRMCRDDSNUELKX-UHFFFAOYSA-N 467.599 2.119 30 10 JEEE C#CCSCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCNC(=O)[C@@H]1CC 1539513537 KNMITCDGHJKLSS-ROUUACIJSA-N 476.647 2.474 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccnc(C(F)(F)F)c1 1539539033 OATODQQATPBBCZ-FZKQIMNGSA-N 456.494 2.343 30 10 JEEE C=CCC(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1539931068 GINAIBRMRFGFOF-READRUSDSA-N 474.606 2.419 30 10 JEEE C=CCC[C@H](NC(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1)c1ccc(C(F)(F)F)cc1 1546025954 YBAGXITZPLYYQE-HNNXBMFYSA-N 458.462 2.234 30 10 JEEE CN(C)[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](C#N)C1)c1ccsc1 1552748833 DKSVPHYRGQYOFR-DLBZAZTESA-N 452.544 2.019 30 10 JEEE C=CC[C@@]1(C(=O)N2CCN(C[C@H]3CCCS3(=O)=O)CC2)CCCN1C(=O)OC(C)(C)C 1557805138 IRZFKOHXZIVPAF-GCJKJVERSA-N 455.621 2.054 30 10 JEEE C#CCn1ccc(CN(CCOC)C(=O)c2ccc(OC)c(I)c2)n1 1586564627 GBHBOHIWTKDOPE-UHFFFAOYSA-N 453.280 2.418 30 10 JEEE C=CCOCCCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1 1587498055 IQWOBSVPINVANI-UHFFFAOYSA-N 451.589 2.020 30 10 JEEE C#CCCCCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1587770268 XNTSDUGIKZMEAW-JOCHJYFZSA-N 489.617 2.442 30 10 JEEE C#CCN(c1nnc(CCOc2ccccc2)n1Cc1ncccc1N(C)C)[C@H]1CCS(=O)(=O)C1 1588069891 UQCNKIFJBCFHOC-FQEVSTJZSA-N 494.621 2.036 30 10 JEEE C#CCN(CC#C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCN1CCCS1(=O)=O 1588089662 MSEPSHZFTTZXSQ-UHFFFAOYSA-N 480.619 2.485 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H](c1ccccc1)N1CCOCC1 1588171039 RVONIQAHTDNZAX-VXNXHJTFSA-N 463.582 2.148 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)SC 1588550123 ITUNQBUAUVYNGY-APWZRJJASA-N 481.619 2.141 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@]1(C)CN(C2CC2)C1=O 1588581386 PIQPGCJFJUJZSG-FQEVSTJZSA-N 461.364 2.133 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](c2ccsc2)N(CC)CC)CC1 1588813281 WOUFKCCIHIETKA-LEWJYISDSA-N 490.699 2.080 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC2(C(=O)NCC)CCC2)CC1 1588877078 ULPFZCHYWJGWKY-WOJBJXKFSA-N 456.635 2.258 30 10 JEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCO[C@@H](c2ccccc2)C1 1588983661 BHRQFIVSDSKRDG-IEBWSBKVSA-N 463.629 2.223 30 10 JEEE C=C(Cl)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCN(CC(=O)NCCOC)CC1 1593872523 IIFVOOLSCRYSFL-UHFFFAOYSA-N 485.976 2.237 30 10 JEEE C=CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1594651437 LKQBTKFJGYVHKQ-NRFANRHFSA-N 454.623 2.239 30 10 JEEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1594783504 CICHTTLGUKCGKT-IUKKYPGJSA-N 456.547 2.291 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1595821427 BNMNTLCWHBZALL-RTWAWAEBSA-N 476.599 2.151 30 10 JEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](CCO)c2cccc(OC(F)(F)F)c2)cc1 1630870923 KXFBYFFWXVSIKH-SFHVURJKSA-N 456.442 2.350 30 10 JEEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NC(CO)CO)c1 1630874471 MZRXLYRTVZMETD-UHFFFAOYSA-N 459.351 2.458 30 10 JEEE C#CCCCCNC(=O)N1CCN(CCS(=O)(=O)c2ccc(Br)cc2)CC1 1685615319 LQYLRNUYSFKQEF-UHFFFAOYSA-N 456.406 2.354 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(N2CCOCC2)nc1 1689830597 BEDNLOFXEQWXRU-NTKDMRAZSA-N 454.575 2.057 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCCO3)n2C[C@H](C)N2CCOCC2)c1 1689872180 QNWGTCHTRIQUCY-UGKGYDQZSA-N 466.586 2.297 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CC(C)(C)SC)[C@H]1CCS(=O)(=O)C1 1689996884 QEKOZBSYPCCZMU-SFHVURJKSA-N 473.624 2.497 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCCOC3)n2C[C@@H]2CCC[C@@H](O)C2)n1 1690109557 WBGOMKYYCPPNKO-KCZVDYSFSA-N 456.591 2.206 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCSCC=C)CC1 1690143734 ADCBLSGGGMFTOF-UHFFFAOYSA-N 491.621 2.077 30 10 JEEE C#CCSCCn1c(COc2ccccc2OCC)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1690185439 ZFEPZKQMMJRYJW-MSOLQXFVSA-N 455.584 2.337 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCS(=O)(=O)C1 1690267281 YWXMJSVDJVLSDO-QZTJIDSGSA-N 483.635 2.424 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(F)c(Cl)c2)C1 1690700656 VTSICEKZRNATPH-QFBILLFUSA-N 499.996 2.233 30 10 JEEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1CC1([S@@](C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1705560202 IKPPTIILPAOKQO-IYZCWWITSA-N 474.652 2.358 30 10 JEEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1Cc1nccs1)[C@H]1CCS(=O)(=O)C1 1705561427 QGFRAOAUWTUDCN-ZDUSSCGKSA-N 481.401 2.167 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1705562668 HQVRWBDORBBWER-ICSRJNTNSA-N 488.610 2.404 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCC1(O)CCC1 1705590622 RGOBTSFOTCDBIC-UHFFFAOYSA-N 454.600 2.315 30 10 JEEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 1705630512 VVTLSOGZPUVRAY-IBGZPJMESA-N 474.606 2.134 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCCS(C)(=O)=O)CC1 1705642065 FNFIHFPYFHWOII-UHFFFAOYSA-N 473.643 2.345 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@](C)(O)C2CCCCC2)CC1 1705647128 AXGQPEXOWGJXAL-DEOSSOPVSA-N 451.575 2.032 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@H](C)N2CCC(C)CC2)CC1 1705649912 IIVCRYQWTIMBCR-NRFANRHFSA-N 463.630 2.350 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@]2(O)CCCC2(C)C)CC1 1705650042 LMDBWNBJBWSARX-RUZDIDTESA-N 450.587 2.171 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3ccc4ccccc43)n2C[C@](C)(O)CCOC)CC1 1705650849 AJJSWMXQAICSNW-AREMUKBSSA-N 478.597 2.034 30 10 JEEE C#CCSCCn1c(N2CCN(C(=O)Cc3ccccc3)CC2)nnc1[C@]1(OCC)CCOC1 1705665207 MWTDHHIBJYOFKW-VWLOTQADSA-N 483.638 2.188 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccc(C)cc2)CC1 1705735737 WSZLGKILUVHZQF-FQEVSTJZSA-N 452.559 2.093 30 10 JEEE C=CCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1705825861 FVGFLVFDWLKUHD-FQEVSTJZSA-N 463.542 2.176 30 10 JEEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CCCCC1 1705879553 CVLGLNBXVSQTDO-FQEVSTJZSA-N 493.630 2.134 30 10 JEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1705946469 ISSBREQAGAQPLF-GJZGRUSLSA-N 467.583 2.172 30 10 JEEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CC1(N(C)C)CCCCC1 1710734455 DARIJLWNHWOHNE-IBGZPJMESA-N 467.622 2.456 30 10 JEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 1722308310 KHBBTXSMTWPNRC-OALUTQOASA-N 478.663 2.167 30 10 JEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C(=O)N(C)c2ccccc2)C1 1722316503 JCXWOKRKBGHELL-WOJBJXKFSA-N 469.611 2.473 30 10 JEEE C#CCCCn1c([C@H]2CCCOC2)nnc1N1CCN(Cc2nc([C@H](C)OCC)no2)CC1 1722334244 VDPJANODTCYNFC-OALUTQOASA-N 457.579 2.388 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1Cc1cc(C)nn1C)[C@H]1CCS(=O)(=O)C1 1722361215 YAVULSIRQGDUTA-SFHVURJKSA-N 458.975 2.315 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Cl)n1CC1CCS(=O)(=O)CC1)[C@H]1CCS(=O)(=O)C1 1722361943 KUDZVMVCLMHILG-KRWDZBQOSA-N 497.042 2.050 30 10 JEEE C#CCN(c1nnc(-c2ccccc2)n1CCNC(=O)[C@H](C)CCC)[C@@H]1CCS(=O)(=O)C1 1722361985 LMAUGBFWRGKVCX-UYAOXDASSA-N 457.600 2.124 30 10 JEEE C#CCN(c1nnc([C@@H]2COc3ccccc3O2)n1CCCOCC(C)C)[C@H]1CCS(=O)(=O)C1 1722364912 BPVVPPADZPQIQJ-UGKGYDQZSA-N 488.610 2.480 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CCN2CCC[C@@H](C)C2)CC1 1722449000 KKDZRSMXVOCNKH-GOSISDBHSA-N 469.659 2.332 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1722490820 DMAKHZWHDWETCG-YHINDDMVSA-N 463.623 2.140 30 10 JEEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1722528445 GSXCQPWUCJLDHB-SXLOBPIMSA-N 458.588 2.225 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c(-c2cnn(C)c2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1)C(C)C 1722664663 FEZDUZAJOXRSHI-SESVDKBCSA-N 452.607 2.092 30 10 JEEE C=CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1CCCCS1(=O)=O 1722681708 QUTXKXLONMPGFO-FQEVSTJZSA-N 489.646 2.058 30 10 JEEE C[C@@H]1CCCN(CCn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N2CC[C@@](F)(C#N)C2)C1 1726577635 GPXWNKXZTKGRLS-WZONZLPQSA-N 489.621 2.369 30 10 JEEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)c2ncc(C)s2)CCO1 1729679696 BHBQUEJXSPTNST-KDOFPFPSSA-N 451.556 2.337 30 10 JEEE COc1cc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)[C@H](C)CC#N)c2ccccc2n1 1729983157 CBUFXRGUDIYCRI-HUUCEWRRSA-N 457.560 2.232 30 10 JEEE C#CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1740566281 FRLPAJVJMBPGPQ-OAQYLSRUSA-N 499.015 2.493 30 10 JEEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1(C)CCOCC1)[C@H]1CCS(=O)(=O)C1 1740618052 BJULDWYSZDCTJO-IBGZPJMESA-N 473.555 2.297 30 10 JEEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@@H]1CCN(CCC)C1)[C@@H]1CCS(=O)(=O)C1 1740628517 QUVBLNKCUSGGBD-TZIWHRDSSA-N 489.617 2.355 30 10 JEEE C#CCN(CC#CC)c1nnc(COc2ccccc2F)n1C[C@@H](C)N1CCN(CC)CC1 1740658080 BUVSRIOZLLVSDV-OAQYLSRUSA-N 452.578 2.485 30 10 JEEE C#CCSCCn1c(Cc2ccsc2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1740721093 WULPHVHXNJAWNP-WIYYLYMNSA-N 472.684 2.286 30 10 JEEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1740722728 IPROUZYIORMZGE-ZLGIVVLRSA-N 450.605 2.141 30 10 JEEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1740868405 KHWSAIXVFXHGNB-OAHLLOKOSA-N 454.000 2.230 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCc2ccc(Cl)nc2C1 1740992074 MGOYSHCZQFNWCI-MRXNPFEDSA-N 451.980 2.384 30 10 JEEE CCC[C@H](C)C(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC2(CC1)CNC(=O)C2 1745202577 CKAGAHOHVRDIJI-IBGZPJMESA-N 493.612 2.388 30 10 JEEE CCN(CC)C(=O)CN1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCCC2)CC1 1746043452 BKTXKLMWAGIVED-UHFFFAOYSA-N 478.645 2.293 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CC1(OCCOC)CCOCC1 1748682231 TUHILXOFAPYQRK-LJQANCHMSA-N 452.559 2.187 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCCCN2C[C@@H](C)C[C@@H](C)C2)CC1 1749008867 HTQRODCTCHFMBL-OYRHEFFESA-N 478.645 2.459 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2Cc2nnc(CC)s2)CC1 1749008998 KMBMHDKPCPZLJK-UHFFFAOYSA-N 450.572 2.077 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCOc2cccc(Cl)c2)CC1 1749009953 XYEILHOGOWNGMX-UHFFFAOYSA-N 465.945 2.433 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1CC1CCN(CCN(C)C)CC1 1749056177 UUFOZVSGZKAWJA-RPBOFIJWSA-N 458.651 2.196 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1749120822 HUJASZIEBSBZQK-TZIWHRDSSA-N 475.615 2.407 30 10 JEEE C=CCOc1ccccc1Cn1c(-c2noc3c2COCC3)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1749691157 ZVYRXKOMXJPFPV-INIZCTEOSA-N 487.582 2.488 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@]2(C)CN(C)C2=O)C1 1749694174 PDNFPANXLXZVFH-JPYJTQIMSA-N 472.977 2.121 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(O)(C(F)(F)F)CC1 1749726936 KATGHSKQWQDUAG-UHFFFAOYSA-N 488.488 2.168 30 10 JEEE C=CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1749747271 YNXHXZNTFKRJBD-UHFFFAOYSA-N 499.622 2.376 30 10 JEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1749755519 IMDPPOIFDJGYGO-GOSISDBHSA-N 485.676 2.404 30 10 JEEE CS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C[C@@H]2CCOC2)C1 1750215930 HQOIVOQGJIIXDH-OALUTQOASA-N 458.588 2.009 30 10 JEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CC1(C(N)=O)CCCC1)[C@@H]1CCS(=O)(=O)C1 1760181662 ZKVULMOGRQAZKS-GOSISDBHSA-N 476.002 2.271 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1CC1CCN(CCC)CC1)[C@@H]1CCS(=O)(=O)C1 1760184567 KCPVMARSJBWPHK-HXUWFJFHSA-N 458.632 2.032 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCCN1CCN(CC)CC1 1760193938 WQWIBIFDAOGLPS-UHFFFAOYSA-N 461.614 2.248 30 10 JEEE C#CCN(CC#C)c1nnc(CCOc2ccccc2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1760207036 VKUSMRRCQSHTHL-HXUWFJFHSA-N 461.488 2.236 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnccn2)n1C[C@@H]1CCCCS1(=O)=O 1760240752 AREMQHKVJRUVQL-IBGZPJMESA-N 454.531 2.481 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@]1(C)CN(C)C1=O 1760245349 ABDXZDIWRCUBKP-NRFANRHFSA-N 476.375 2.281 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[C@@H](C)N2CCCCC2)CC1 1760256289 UEUFXWYRROQKBB-OAQYLSRUSA-N 484.670 2.368 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCCO[C@H]2C(C)(C)C)CC1 1760271163 ODCQMCNWXSAUDJ-NFBKMPQASA-N 484.645 2.208 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2CCc2nccnc2C)CC1 1760273064 HICNMEUSBSQOIH-UHFFFAOYSA-N 477.544 2.303 30 10 JEEE C#CCSCCn1c(N2CCC3(CC2)COC(=O)N3)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1760286252 GEQTVWMNPRYQEP-CALCHBBNSA-N 490.630 2.494 30 10 JEEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(C1)OCc1ccccc12 1760352869 ZOEYSBHSWNMQTN-HTAPYJJXSA-N 461.588 2.117 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1760554577 HKECWVYCLRPVJK-LQWHRVPQSA-N 475.615 2.310 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N(CC)C[C@H]1COc2ccccc2O1 1760555606 IVLLJOZJFREBKT-MOPGFXCFSA-N 476.599 2.439 30 10 JEEE CC(=O)N1CCN(CCn2c(Cc3c(F)cccc3F)nnc2N2CCC(C#N)CC2)CC1 1760621866 DAEYROYCARZCDE-UHFFFAOYSA-N 457.529 2.051 30 10 JEEE CC(C)CN1CCO[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(CC(N)=O)CC2)C1 1761131070 BSHNRKOVYSDBNT-QHCPKHFHSA-N 495.628 2.177 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(c3c(C#N)cnc4ccccc34)CC2)n1C[C@@H](C)N(C)C 1761234058 BKDKXCIQTOKETC-GOSISDBHSA-N 475.601 2.113 30 10 JEEE CCN(CC)c1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)cn1 1764938128 DVDUDNKQNKQZRL-LJQANCHMSA-N 457.604 2.210 30 10 JEEE Cn1c([C@@H](C#N)C(=O)CN2CCN(c3nnc(Cc4cccs4)c(O)n3)CC2)nc2ccccc21 1859428236 QJUIAKRGRWIRLM-KRWDZBQOSA-N 488.577 2.115 30 10 JEEE CC(=O)Oc1ccc(C[C@H](NC(=O)CC[C@@H]2CCS(=O)(=O)C2)C(=O)Nc2ccc(C#N)cc2)cc1 1866928806 HGYVDTAZFWDLIW-OFNKIYASSA-N 497.573 2.364 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)N2CCCCCC2)cn1CCN1CCOCC1 1870497626 PXJHQOPCPDYLIA-UHFFFAOYSA-N 472.630 2.136 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCCN(CC)CC)cn1CCCCCCO 1870536286 FXQBYPOYMNBWOZ-UHFFFAOYSA-N 476.662 2.412 30 10 JEEE CCCCCCCCCCNC(=O)C1CCN(C(=O)[C@@H]2CC(=O)N(CCNC(C)=O)C2)CC1 1872941197 KFALRVMSMXSIEJ-JOCHJYFZSA-N 464.651 2.467 30 10 JEEE C=CCn1c(C(=O)N(CCO)Cc2ccccc2)cc2c(N3CCN(c4ncccn4)CC3)ncnc21 1873562405 BFOIDCDXXQNOFV-UHFFFAOYSA-N 498.591 2.369 30 10 JEEE C=CCn1c(C(=O)N2CCN(Cc3ccccc3)CC2)cc2c(N3CCC(C(N)=O)CC3)ncnc21 1873562471 FGOURRLQIJEBIV-UHFFFAOYSA-N 487.608 2.277 30 10 JEEE CCOc1cccc(/C=N/n2c(CNC(C)=O)nnc2SCC(=O)Nc2nccs2)c1 1874433699 SZTYRABNMDAUKR-LSHDLFTRSA-N 459.557 2.382 30 10 JEEE O=C1C[C@@H](c2nnc(S)n2/N=C/c2ccccc2S(=O)(=O)O)CN1Cc1ccccc1 1874569937 JFCWLMSIGHFVBV-BTZNOAQDSA-N 457.537 2.212 30 10 JEEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N1CC[C@H](CO)[C@@H](NC(=O)OC(C)(C)C)C1 2060134561 AQLCOEJAAWKQCG-ZACQAIPSSA-N 454.568 2.308 30 10 JEEE C#CCN(C(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O)C1CCN(C(=O)OC(C)(C)C)CC1 2136179754 LYMAWDAUDNLDCX-MJGOQNOKSA-N 465.591 2.466 30 10 JEEE C=CCC1(NS(=O)(=O)c2c(Br)nnn2C)CCN(C(=O)OC(C)(C)C)CC1 2174716289 QYMPFRDPIGLIIQ-UHFFFAOYSA-N 464.386 2.202 30 10 JEEE CC1(C)OB(c2c[nH]nc2C(=O)N[C@@H](CNC(=O)OCc2ccccc2)C(F)(F)F)OC1(C)C 2255628055 CDYHFUUKTTWLTA-HNNXBMFYSA-N 482.268 2.296 30 10 JEEE Cc1cc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)sc1B1OC(C)(C)C(C)(C)O1 2255676507 REKIXXHSSXITCK-UONOGXRCSA-N 452.382 2.066 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2255709681 ZOWXBXGOGKPDGU-DZGCQCFKSA-N 452.382 2.005 30 10 JEEE Cc1ccc(S(=O)(=O)NC2CN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2255743888 IOZPAVCPAYZNIG-UHFFFAOYSA-N 452.382 2.192 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1CN2S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2255953776 NYDROAKEVIHYDA-UONOGXRCSA-N 470.422 2.430 30 10 JEEE COC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)ccc1F 2268613851 ZWLFTMOXIMGJRI-QGZVFWFLSA-N 452.332 2.281 30 10 JEEE Cc1nc(NC(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2F)ncc1B1OC(C)(C)C(C)(C)O1 2268677063 PVVAWXRYFYGQEZ-UKRRQHHQSA-N 450.320 2.228 30 10 JEEE Cc1c(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H](C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281799796 ZYBAPRYVVWLZGA-HNNXBMFYSA-N 462.400 2.357 30 10 JEEE CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1CCNC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2281979615 OMHQSOKAYREHRD-ZDUSSCGKSA-N 470.326 2.474 30 10 JEEE Cc1nn(C)c(C(=O)N[C@@H](C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2281988676 POLQDDZUWWNXHB-GOEBONIOSA-N 462.400 2.403 30 10 JEEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1CCNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282043238 MGHKOFKCNBJJTM-CVEARBPZSA-N 462.400 2.342 30 10 JEEE CC[C@@](C)(CNC(=O)OC(C)(C)C)N(C)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282339038 QZSWGRXJOIIUMR-NRFANRHFSA-N 486.444 2.033 30 10 JEEE CCn1cc(C(=O)N2CC3(CCN(C(=O)OC(C)(C)C)C3)C2)nc1B1OC(C)(C)C(C)(C)O1 2282538451 GKCVGWIKNUMWKD-UHFFFAOYSA-N 460.384 2.285 30 10 JEEE Cn1cc(C(=O)N2CC[C@@H](C3CN(C(=O)OC(C)(C)C)C3)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2282578207 ORIWAYOBOGTOCL-OAHLLOKOSA-N 460.384 2.048 30 10 JEEE CC(C)(C)OC(=O)N1CCC(CO)(CNC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)CC1 2282616914 CGMUFSLIKZJYOH-UHFFFAOYSA-N 481.424 2.182 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H]([S@](C)(=O)=NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2283063034 QHYGOVICMDTSEM-UUBFPDNSSA-N 480.396 2.023 30 10 JEEE CN(C(=O)OC(C)(C)C)[C@@H]1COC[C@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2283965778 TXNXOTXAZNIJFL-GDBMZVCRSA-N 465.331 2.340 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@@](O)(CC(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C1 2284021440 YTTJCCNRUIGFDU-JOCHJYFZSA-N 481.424 2.211 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)OCC12CC2 2284133473 RBSWYVNBPYEJNW-MRXNPFEDSA-N 459.352 2.488 30 10 JEEE CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1CCc2cc(B3OC(C)(C)C(C)(C)O3)ccc2C1 2284138951 HASDEMANWWCKBC-IBGZPJMESA-N 460.380 2.146 30 10 JEEE Cc1cnc(C(=O)N[C@H](COCc2ccccc2)CC(=O)O)c(B2OC(C)(C)C(C)(C)O2)c1 2284456751 DJQDLOTYNAOBHC-SFHVURJKSA-N 454.332 2.479 30 10 JEEE Cc1nn(C)c(C(=O)N2C[C@@H]3C[C@]3(CNC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2288261037 NTWLIJZZRPXGCA-WNSKOXEYSA-N 460.384 2.015 30 10 JEEE COc1ccc(Cl)cc1C(O)=C1C(=O)C(=O)N(CCN2CCOCC2)[C@H]1c1cccnc1 2296626439 RHLSFPAWZNCNEM-FQEVSTJZSA-N 457.914 2.498 30 10 JEEE Cc1nc(I)c(I)n1C[C@](N)(C#N)[C@@H]1C[C@@H]1C 2307812778 XKDIGVNTMZNIBM-FMTFEUNWSA-N 456.069 2.278 30 10 JEEE CC(C)N1C[C@H](c2nnc(SCC(=O)NCc3ccco3)n2N=Cc2ccccn2)CC1=O 2329021295 YPOABXSGOCWSMI-MRXNPFEDSA-N 467.555 2.281 30 10 JEEE Cc1scc(C(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)c1B1OC(C)(C)C(C)(C)O1 2343505246 DDVVGVAOTFUHBL-HOCLYGCPSA-N 466.409 2.313 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@]2(C(=O)NCc3ncc(B4OC(C)(C)C(C)(C)O4)s3)CO[C@H]1C2 2359392639 QUWCPAUFCBVHDI-FBJOKTGGSA-N 479.408 2.131 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H]3CC[C@]3(NC(=O)OC(C)(C)C)C2)n1C 2362333227 RLZRBQXLKWZJKI-CMJOXMDJSA-N 460.384 2.157 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C23CC3)n1C 2362335431 KQXYVTZMGADICH-HNNXBMFYSA-N 460.384 2.300 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@](C)(CNC(=O)OC(C)(C)C)C2CC2)n1C 2362483086 LZOFWFVXHNUJMW-QHCPKHFHSA-N 462.400 2.451 30 10 JEEE CC(C)(C)OC(=O)N1CC(=O)NC[C@H]1C(=O)N1CC(B2OC(C)(C)C(C)(C)O2)=CCC1(C)C 2362671082 ZLWXDZGCOCDMHY-INIZCTEOSA-N 463.384 2.291 30 10 JEEE CC(C)(C)OC(=O)N1[C@H](CN=c2cc(B3OC(C)(C)C(C)(C)O3)c(F)c[nH]2)C[C@H]2COC[C@H]21 2371992120 KYJMVJNYCMHEAK-RLFYNMQTSA-N 463.359 2.378 30 10 JEEE C=CCc1cccc(/C=N/Nc2nnc(SCC(=O)NCc3ccc(OC)cc3)n2N)c1O 20527545 QLKJVLPPDKOKBE-DHRITJCHSA-N 467.555 2.289 30 10 JEEE C=CCn1c(=O)c2sc(N(CC)CC)nc2n(CC(=O)Nc2cc(OC)cc(OC)c2)c1=O 21655776 UQIQODYSVBVPMP-UHFFFAOYSA-N 473.555 2.308 30 10 JEEE C=CCNC(=O)CN1CCN(CC(=O)N(C/C=C/c2ccccc2)c2ccc3c(c2)OCCO3)CC1 23266289 MIIIWDFDZXVPRV-RMKNXTFCSA-N 490.604 2.424 30 10 JEEE COc1ccc(OC)c(S(=O)(=O)Nc2ccc(N3CCN(CCC#N)CC3)cc2C(=O)O)c1 33006985 YBIHGGPNYUJUIJ-UHFFFAOYSA-N 474.539 2.238 30 10 JEEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2nc3ccc(S(=O)(=O)N(C)C)cc3s2)cc1 47157326 COHJAKFKVCXTSP-UHFFFAOYSA-N 480.593 2.263 30 10 JEEE CCOC(=O)[C@@H]1CCCN(c2nc(O)c3c(n2)NC(=O)[C@@H](C#N)[C@@H]3c2cc([N+](=O)[O-])ccc2F)C1 256034173 WQAOWETVEGVWPK-WPGHFRTFSA-N 484.444 2.233 30 10 JEEE COCCOc1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(Cc3ccccc3)c2=O)cc1 522075325 NKAPVCHUMJLGIE-UHFFFAOYSA-N 489.597 2.109 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)N2CC[C@@H](Oc3ccnc(CN(C)CC)c3)C2)ccc1F 856638492 YVXXFZMDEAPBCW-HXUWFJFHSA-N 476.574 2.430 30 10 JEEE Cc1cc(O)cc(=O)n1CCC(=O)N1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 1144758207 BUEXUYDVVKSADT-LJQANCHMSA-N 459.344 2.424 30 10 JEEE C#CCC[C@@H](O)CNC(=O)c1cccc(NC(=O)C[C@H]2SC(N3CCCCC3)=NC2=O)c1 1155521795 XXNLJUUHZNHXGB-RTBURBONSA-N 456.568 2.003 30 10 JEEE C#CCCCCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1286314807 HJYNACNOQRPSRS-INIZCTEOSA-N 483.436 2.368 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCCCCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1286391337 DTJBJMWPLDKXDE-SFTDATJTSA-N 463.648 2.065 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CC1(N(C)C)CCC1)[C@H]1CCS(=O)(=O)C1 1286391910 FRNKUULYUBVMDZ-FQEVSTJZSA-N 459.591 2.119 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCOc2ccccc2C)CC1 1286487639 XAWLLNRBKLZZGI-UHFFFAOYSA-N 487.564 2.279 30 10 JEEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 1286514884 RFDOHKUIFPXEKV-GMAHTHKFSA-N 483.638 2.260 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1snnc1C 1286516930 ARIQMIVTFFQFLV-OAQYLSRUSA-N 471.612 2.396 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCOC2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1286554904 IXMXHUPJCTXULP-NCOADZHNSA-N 457.497 2.268 30 10 JEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(=O)Nc2ccc(F)cc2)CC1 1286651813 MNFLWMGLWPQVNS-AWEZNQCLSA-N 450.540 2.069 30 10 JEEE C=CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1286705095 PUYONYDSLZVGAB-SWUCNREESA-N 474.650 2.347 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1286816246 GYXIVGXMMVRRSB-IFMALSPDSA-N 473.643 2.401 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@H](C(N)=O)C1 1286817215 KTUCAYYDKUIZQH-MOPGFXCFSA-N 475.615 2.337 30 10 JEEE Cc1cc(C)n(CCCn2c(COc3ccc(C#N)cc3)nnc2N2CC(=O)N(C)C[C@@H]2C)n1 1290665964 BXEQPZBXIKFMGI-IBGZPJMESA-N 462.558 2.299 30 10 JEEE CCC[C@@](C)(O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1293816832 FIPIMUGJNAXTLP-FDDCHVKYSA-N 455.538 2.118 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1C[C@H](C(C)C)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1300489171 JVVQLGSGCZYWFA-DNQXCXABSA-N 499.681 2.491 30 10 JEEE C#CCN(c1nnc(C2CCCC2)n1CCS(=O)(=O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1300495399 HAZPGVFPQSRESW-IBGZPJMESA-N 476.624 2.036 30 10 JEEE C#CCN(c1nnc(CSc2ccccc2OC)n1C[C@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1300505133 XYVCVOBSMXSBSR-ROUUACIJSA-N 477.656 2.156 30 10 JEEE C#CCN(CC#CC)c1nnc(COc2ccc(C#N)cc2)n1Cc1cccnc1N1CCOCC1 1300591191 MYEVZVHYDVSTDL-UHFFFAOYSA-N 481.560 2.472 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCc2ccc(F)c(F)c2F)CC1 1300685353 LSNQUORCXGTTGJ-HSZRJFAPSA-N 463.504 2.345 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@H](CCC)OC)CC1 1300699939 KAVWNRYHFPUDIH-UXHICEINSA-N 476.622 2.157 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(NC(=O)N(C)C)cc2)CC1 1300725307 GKSGXUQGRQTIJL-NRFANRHFSA-N 493.612 2.280 30 10 JEEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 1300761201 AEWAJRJRYFONKU-LJQANCHMSA-N 457.575 2.179 30 10 JEEE C=C(Br)Cn1c([C@@H]2COc3ccccc3O2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1300848306 CYDZWSQFFQGLSR-BBRMVZONSA-N 469.361 2.323 30 10 JEEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCn2cc(Br)cn2)CC1 1301104940 BVTPNIFSGKRMDZ-CQSZACIVSA-N 486.440 2.340 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1301483715 VCJQRLJZKHUOJQ-LSDHHAIUSA-N 462.304 2.124 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2nc(C(C)C)cs2)C1 1301557075 MHIAPJSCKUHJIE-WMZOPIPTSA-N 496.659 2.021 30 10 JEEE Cc1ccccc1OCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1304576377 FVLDQJUHXOONMZ-LJQANCHMSA-N 489.584 2.181 30 10 JEEE CC[C@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1CC1CN(C(=O)OC(C)(C)C)C1 1306243376 HUPUNWZWVUFRRN-IBGZPJMESA-N 465.558 2.398 30 10 JEEE C#CCN(Cc1nccn1S(=O)(=O)N(C)C)[C@H]1CCOc2ccc(Br)cc21 1308633655 LVSCSNTUYPHDJT-INIZCTEOSA-N 453.362 2.259 30 10 JEEE C#Cc1ccc(S(=O)(=O)N2CCCN(S(=O)(=O)c3cccc4cnccc34)CC2)cc1 1309159815 WVPFBVXCDJEAGX-UHFFFAOYSA-N 455.561 2.301 30 10 JEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CC1CCN(C(C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1358957786 AHRPRWBUXQIPFU-NRFANRHFSA-N 490.029 2.484 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CC(F)(F)CO1)[C@H]1CCS(=O)(=O)C1 1358959201 DNQDEHVKSDOUCB-GJZGRUSLSA-N 471.917 2.044 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H](OC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1358959631 MOTRKBIPOMBSOO-WIYYLYMNSA-N 474.583 2.014 30 10 JEEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCCN(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1358959882 RLIXXQMQLDELHP-NRFANRHFSA-N 454.600 2.174 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN(C(C)=O)C1 1359016797 MIADBZOKXSFIHP-NHCUHLMSSA-N 487.601 2.218 30 10 JEEE C#CCN1CCN(c2nnc(CSc3ccccc3OC)n2CCCn2ccnn2)CC1 1359039574 NULHEONHKVJSRM-UHFFFAOYSA-N 452.588 2.016 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC(C)(C)C(=O)NC)CC1 1359042138 TXCCELQXOXERMJ-UHFFFAOYSA-N 488.539 2.285 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2Cc2cccn(CC)c2=O)CC1 1359046841 HZMCPFLLRKUQKM-UHFFFAOYSA-N 488.592 2.361 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)ccc3C)n2CCCC(=O)N(C)C)CC1 1359046941 LMCZTLPYYQYKQX-UHFFFAOYSA-N 480.613 2.308 30 10 JEEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](COc2ccccc2)C1 1359126269 KSYWOLKQMHVZMB-OAQYLSRUSA-N 455.559 2.391 30 10 JEEE C=CCCOCCn1c(-c2ccc(Br)s2)nnc1N1CCO[C@@H](C(=O)NC)C1 1359223288 GJOFWEDHSRYQJC-CYBMUJFWSA-N 470.393 2.313 30 10 JEEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1cccc(N2CCOCC2)n1 1359233511 HSMLQIRSDNCYJS-UHFFFAOYSA-N 468.583 2.251 30 10 JEEE C=CCN(C)c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1359242993 ZSSNMFZPSRNNOQ-FUHWJXTLSA-N 450.634 2.460 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCOC1 1359259371 UMFNVPHRVBAVQM-SFTDATJTSA-N 475.615 2.230 30 10 JEEE C=CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1359289364 ZHVPFSVSHIXIME-UHFFFAOYSA-N 485.614 2.213 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1C[C@H](C)O[C@@H](CC)C1 1359298740 KLCVGZHBGDAPHG-ROUUACIJSA-N 479.585 2.371 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCC(Cn2ccnn2)CC1 1359304066 KHMPAFDFXLOHPQ-UHFFFAOYSA-N 464.574 2.284 30 10 JEEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)c1ccco1 1359343585 WLKRABCUXKAINU-WBVHZDCISA-N 455.606 2.321 30 10 JEEE Cc1c(C#N)nn(-c2ccccc2)c1NC(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1 1436520139 CFFOMZIBQXEIHK-UHFFFAOYSA-N 450.524 2.487 30 10 JEEE C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 1459723726 WIYCHVRVULPFEO-KRWDZBQOSA-N 458.609 2.418 30 10 JEEE Cc1c(C#N)c(NC(=O)CN2CCN(S(=O)(=O)C3CC3)CC2)n(Cc2ccccc2)c1C 1473650620 BBZYNIZEXUBFSO-UHFFFAOYSA-N 455.584 2.073 30 10 JEEE COCCN(CCC#N)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1ccc(N(C)C)nc1 1504886341 HTOBIPYUWDSRPC-UHFFFAOYSA-N 473.541 2.470 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCC(=O)NC1CCCCC1 1507520888 HSXQQBKAVJISDU-GOSISDBHSA-N 486.642 2.492 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@H](C)CN1CCOCC1 1507522355 VHGRMTHSLBWMDZ-QZTJIDSGSA-N 457.575 2.397 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)c1cccc(OC)c1 1507536926 FQMLUHDALFWVOC-XLIONFOSSA-N 475.615 2.055 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2CC2CC(C)(C)C2)c1 1507548992 XMQZRYVNJMAFIG-INIZCTEOSA-N 472.615 2.381 30 10 JEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(c2ccccc2C#N)CC1 1507556421 ILAMQOSEFKGOPQ-IBGZPJMESA-N 469.615 2.280 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CCc1nc(C)c(C)s1)[C@H]1CCS(=O)(=O)C1 1507634361 JXLCDFLBZUUSNP-IBGZPJMESA-N 470.624 2.207 30 10 JEEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1CCCN1CCN(CC)CC1 1507671377 HWCDOMGDIRHQCO-UHFFFAOYSA-N 458.614 2.007 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](c2ccc(C)cc2)N2CCCC2)CC1 1507715497 BXICFXYEVQMJKZ-HSZRJFAPSA-N 463.630 2.317 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCCC(=O)NC2CC2)CC1 1507733448 ZBEQIJYUNSSRFS-FQEVSTJZSA-N 485.633 2.164 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@](C)(O)C1CC1 1507763685 ADDLCFGGVCOJIM-PKTZIBPZSA-N 457.600 2.349 30 10 JEEE C=C(Cl)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCN(CC(=O)N(C)C)CC1 1507865319 AFPGFIQDFYIYOW-UHFFFAOYSA-N 499.019 2.199 30 10 JEEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1507915733 YBFUFCAFULXUSO-OPOADAIRSA-N 455.625 2.263 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@@H](NC(C)=O)C1 1508072874 HTVPCWZBAVKAQS-CRAIPNDOSA-N 460.966 2.479 30 10 JEEE C=CCOc1ccc(Cn2c([C@H]3CCCCO3)nnc2N2C[C@@H](O)[C@H](CC(=O)OC)C2)cc1 1508100547 LMWBCCUPRQVNPE-HMXCVIKNSA-N 456.543 2.493 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC(c2ccc(OC)cc2)CC1 1508131685 OZVILYTWYYMIMA-UHFFFAOYSA-N 475.615 2.410 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1508134423 SEXPHYKEDWSYAX-GOSISDBHSA-N 476.603 2.030 30 10 JEEE CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CC(C)(C)N1CCCCC1 1516586145 GVGSRHKXUSXEPQ-UHFFFAOYSA-N 469.638 2.319 30 10 JEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC[S@@](=O)C(C)(C)C 1539155109 SOMPURACZIWYME-SSEXGKCCSA-N 450.634 2.163 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1Cc1oc(CC)nc1C)[C@@H]1CCS(=O)(=O)C1 1539213116 WAQWCEZXDSYFIK-GOSISDBHSA-N 469.567 2.488 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)ccc3Br)n2C[C@]2(C)COCCO2)CC1 1539434544 MOBCTKJFLYSUGD-JOCHJYFZSA-N 490.402 2.277 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2[C@H]2CCC[C@H](C(F)(F)F)C2)CC1 1539477597 RXKCNZDGJIWLNM-ULQDDVLXSA-N 466.508 2.489 30 10 JEEE C=C(Br)Cn1c(-c2cnccn2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1539592277 AJIGOLKHOFCVRV-UHFFFAOYSA-N 476.364 2.350 30 10 JEEE C=C1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1539840461 UAMBRHYKAGJMQJ-JOCHJYFZSA-N 462.572 2.058 30 10 JEEE C=CCCCn1c(COc2ccc(OC)cc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1540014820 WXSOMKDIBSWLFL-UHFFFAOYSA-N 470.574 2.005 30 10 JEEE C=CCn1c(-c2ccccc2)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1540856260 GBORATIMNKHQGC-KURKYZTESA-N 459.572 2.258 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCOCC2(CCC2)C1 1540899137 FDFRWBSRYYJONY-UHFFFAOYSA-N 461.544 2.461 30 10 JEEE C=CCSCCn1c(Cc2ccncc2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1540918977 BAXRWYKNQCRFNM-DENIHFKCSA-N 469.659 2.172 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CC(F)(F)F 1541939600 AXIIVIWBQMFYOY-AWEZNQCLSA-N 471.509 2.039 30 10 JEEE CCNC(=O)C1(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)CCC1 1547751510 BWTTUSICJSKMIJ-DLBZAZTESA-N 472.615 2.381 30 10 JEEE COc1cc(OC)c(CCn2c(-c3ccccn3)nnc2N2CCO[C@H](C#N)C2)c(OC)c1 1554782786 CPRMUKQVDDCUHK-QGZVFWFLSA-N 450.499 2.337 30 10 JEEE CC(C)(O)CC[C@H](O)[C@](C)(O)[C@@H]1CC[C@]2(O)C3=CC(=NO)[C@@H]4C[C@H](O)[C@H](O)C[C@]4(C)[C@@H]3CC[C@@]12C 1565518696 CBQFTGKSOCYQEV-XUOJOXSUSA-N 495.657 2.115 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2c(-c3cnn(C)c3)nc3ccccn23)s1 1566377340 YSRBQTGUCYXEFD-UHFFFAOYSA-N 456.553 2.442 30 10 JEEE C#CCn1cc(CNC(=O)C2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)cn1 1568546377 MLSJSMZPYUCUMA-UHFFFAOYSA-N 454.474 2.252 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC23CC3)ccc1F 1586437046 ZSJHALRMFCMKHR-QGZVFWFLSA-N 453.536 2.419 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)C)n2CCCN2CCC[C@H]2C(=O)N(C)C)c1 1587683351 IFOKLNHESHOIRY-QFIPXVFZSA-N 479.629 2.400 30 10 JEEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCN(CCC)C(=O)C1 1587860803 BKWSYEOZYKUKPW-LJQANCHMSA-N 474.606 2.449 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1CC(C)(C)c1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1588050355 RRJBMSLRYBXUHA-LJQANCHMSA-N 480.594 2.348 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2cn3ccccc3n2)n1CCS(=O)(=O)N(C)C 1588561014 YQPXXABAIYZFPO-UHFFFAOYSA-N 495.584 2.187 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(OC)c(Cl)c2)CC1 1588961753 KYOBEXCVJOXOEU-UHFFFAOYSA-N 484.988 2.077 30 10 JEEE C#CCSCCn1c(N2CCO[C@](C)(c3cnn(C)c3)C2)nnc1[C@]1(OC(C)C)CCOC1 1589125748 QAJDMPHXDNSEJR-GOTSBHOMSA-N 474.631 2.171 30 10 JEEE C=CCC(C)(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN2CCOC[C@H]2C1 1594461403 RGWSIFROACXZKW-LJQANCHMSA-N 459.616 2.472 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCN2C(=O)CC[C@H]2C1)C(C)C 1595165207 CQYZFJCKEWNEMU-LEWJYISDSA-N 452.607 2.188 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 1595523498 WNYMKRIOMVSQPY-IBGZPJMESA-N 460.542 2.201 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1595576932 CISVHDXPZRBIHR-IBGZPJMESA-N 489.642 2.470 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCNC(=O)C(C)(C)C)C1 1595713441 ABFRYBROQQNPRX-KRWDZBQOSA-N 479.585 2.136 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NC(=O)CCC)CC1 1595772504 BBXFSLYRBGBVOL-UHFFFAOYSA-N 470.599 2.303 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCCN(C(=O)c2ccccc2)CC1 1595784786 KTGUEPPEDDSGFR-UHFFFAOYSA-N 468.583 2.227 30 10 JEEE Cc1cccc([C@H](Cn2c([C@H]3CCC(=O)N3)nnc2N(C)C[C@H](C)C#N)N2CCOCC2)c1 1612173298 FPBUXABKOFDETO-NRSPTQNISA-N 451.575 2.207 30 10 JEEE CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2c(C)nn(C)c2C)CC1 1613441053 BMPYFVFPMWCQNQ-GOSISDBHSA-N 489.628 2.252 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCOC[C@@H]2C[C@H](O)c2cccs2)s1 1622827615 NILSANLMEIQFKV-HOCLYGCPSA-N 456.611 2.168 30 10 JEEE C#CCN1CCC(NC(=O)[C@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc(C)cc2)CC1 1644948218 ORIQMSZMMNKGHW-XMMPIXPASA-N 451.592 2.324 30 10 JEEE N#Cc1cccc(S(=O)(=O)NCC(=O)NCCC(=O)Nc2cc(Cl)cc(Cl)c2)c1 1651055843 CKSKCPHTWBNNAL-UHFFFAOYSA-N 455.323 2.288 30 10 JEEE C=CC[S@@](=O)(=NC(=O)CNS(=O)(=O)c1ccc(C(=O)OCC)cc1)c1ccccc1 1653396472 HXLWETWACGDDQQ-LJAQVGFWSA-N 450.538 2.381 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCN1CCOC(C)(C)C1 1689850998 KFIGUJXOXRFIFS-LJQANCHMSA-N 452.607 2.021 30 10 JEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(N2CCc3cc(F)ccc32)CC1 1689913361 MSLUZUPDPVSALS-KRWDZBQOSA-N 474.606 2.472 30 10 JEEE C#CCCCn1c(COc2ccccc2OC)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1689939780 CFXOJCBWDAOYJC-RBBKRZOGSA-N 480.613 2.268 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1Cc1csc(COC)n1)[C@@H]1CCS(=O)(=O)C1 1689982943 XRDLPICTXSFZRI-GOSISDBHSA-N 487.607 2.232 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@H]1CC(F)(F)CO1)[C@H]1CCS(=O)(=O)C1 1689992899 QVDSFXLIDMWJNB-DLBZAZTESA-N 468.501 2.059 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H](C)Oc2ccc(F)cc2)CC1 1690134855 IMPGFFKCLICMRV-IPJJNNNSSA-N 457.550 2.364 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1690235863 FOUABUPHANYJPL-WMQCIHAUSA-N 471.606 2.489 30 10 JEEE C=CCCOCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CC(=O)N(C)C[C@H]1C 1690507150 FFQJQXBYJYAEAD-GOSISDBHSA-N 479.585 2.496 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CN2CCCC2=O)n1CC1CCS(=O)(=O)CC1 1690561063 BJNZOBMMSPULPI-UHFFFAOYSA-N 482.610 2.290 30 10 JEEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(=O)c2cccc(Cl)c2)CC1 1690643505 DBSHLDWDUBPPMG-KRWDZBQOSA-N 463.991 2.372 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1690667260 XCYYBRXUZNIKKV-SFHVURJKSA-N 450.547 2.306 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1690678223 OWXWIFOASXSJPW-NXMSCROESA-N 490.605 2.037 30 10 JEEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](C)C[C@@H](C)C1 1690729826 STYQCMIAXJPUDV-IYBDPMFKSA-N 451.618 2.353 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C2(c3ccccc3)CCC2)n1CCNS(=O)(=O)Cc1ccon1 1705479248 KDSBULKGNMYQMM-SFHVURJKSA-N 468.583 2.314 30 10 JEEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CCC1=CCCCC1)[C@H]1CCS(=O)(=O)C1 1705560508 HSKVIOBRPPRRHM-NZQKXSOJSA-N 462.616 2.447 30 10 JEEE C#CCN(c1nnc(C(C)C)n1C[C@H](c1cccc(C)c1)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1705561707 VXRGXSBPCAPYRV-XZOQPEGZSA-N 485.654 2.410 30 10 JEEE C#CCN(c1nnc(-c2csc(N3CCOCC3)n2)n1CCC=C(C)C)[C@@H]1CCS(=O)(=O)C1 1705566780 RBQLSGNBQIISKL-GOSISDBHSA-N 490.655 2.221 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCN(C)[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1705570185 KZPUGRVOXXLGSM-RXVVDRJESA-N 461.607 2.365 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCc1ccc(OC)cc1OC)[C@H]1CCS(=O)(=O)C1 1705572104 QTFHGUKJODIQFT-AZUAARDMSA-N 474.583 2.016 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)Oc1ccccc1OC 1705666683 GVXPEPFNRDABAM-HYFFOGBASA-N 461.588 2.357 30 10 JEEE C=C(Cn1c(C(=O)N2CCCC2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1)c1ccccc1 1705740981 CKUCWHYTTYJOMT-UHFFFAOYSA-N 472.615 2.088 30 10 JEEE C=C(Cl)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1705750336 ZVRABUWYCUTGNL-SJLPKXTDSA-N 496.033 2.469 30 10 JEEE C=CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1705801608 LCPZQIZORDOSQF-QGZVFWFLSA-N 452.602 2.328 30 10 JEEE C=CCn1c(N2CCN(CC(=O)N(CC)CC)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705893677 OEBRUCNZXURYSG-KDURUIRLSA-N 475.638 2.225 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)ccc2C)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1705938479 ZTFQOVSDGPYVQT-IEBWSBKVSA-N 476.555 2.189 30 10 JEEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C)C(C)(C)C1 1705946756 QFIHFXZUYUFMIW-SJORKVTESA-N 457.666 2.403 30 10 JEEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(CC(C)(C)C)n1CC1CCS(=O)(=O)CC1 1708152560 FWKXIDFPOJASRS-KRWDZBQOSA-N 486.646 2.068 30 10 JEEE CC[C@H](C)[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1708356555 AMRKFTZTTRIEOD-DKZVUGQWSA-N 461.588 2.149 30 10 JEEE CN(C)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)(=O)CC1)c1ccsc1 1710991966 AMOYIMOGESXYFQ-IBGZPJMESA-N 456.597 2.416 30 10 JEEE CN(CC(C)(C)CN1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1CCCN1CCOC1=O 1711059578 HPAOPRFCWSPJMV-UHFFFAOYSA-N 481.601 2.454 30 10 JEEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCNC(=O)c1occc1C 1722350760 CWBLZEQSPVAQBW-UHFFFAOYSA-N 462.558 2.243 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H](C)Oc1ccccc1C)[C@H]1CCS(=O)(=O)C1 1722359979 BTIQILMOMJXLLK-OALUTQOASA-N 466.567 2.138 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccccc1OC(F)F)[C@@H]1CCS(=O)(=O)C1 1722365136 CUPWZRNVKDPGEV-DLBZAZTESA-N 466.510 2.058 30 10 JEEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1cc(Br)ccc1F 1722401814 BNWQXBPAMFCJGO-CYBMUJFWSA-N 472.384 2.492 30 10 JEEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@H](COC)C1 1722455982 XDZOSJHMIATQAZ-SFHVURJKSA-N 477.656 2.425 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1nccnc1C 1722658117 FLZFIWPALNATDU-QFIPXVFZSA-N 497.625 2.145 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@@H](CC(N)=O)C1 1722689704 XLUCEDLWROIASJ-HOTGVXAUSA-N 460.966 2.466 30 10 JEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1722700458 KBKNYMQPFOCIHK-UHFFFAOYSA-N 473.006 2.311 30 10 JEEE C=CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1722733774 LTFCYNPTCJXKCH-UHFFFAOYSA-N 478.022 2.487 30 10 JEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2C#N)CC1 1722738361 HQSXNCROWYUTQJ-IBGZPJMESA-N 472.640 2.298 30 10 JEEE C=CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)NC[C@@H]2C1 1722739097 FVDCRZZKKNIFGM-SJORKVTESA-N 477.635 2.483 30 10 JEEE CC(=O)NCC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCOCC2(C)C)CC1 1722838132 GFFPGMMTMGTQBT-UHFFFAOYSA-N 465.602 2.280 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1Cc1ccc(N2CCCCCC2)nc1 1723912081 IETVFJSKQQWULE-MSOLQXFVSA-N 474.635 2.450 30 10 JEEE CC[C@@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1727092373 GZGNIBMQEQVCQJ-OFNKIYASSA-N 478.645 2.338 30 10 JEEE CCNC(=O)c1ccc(Cn2c(C(=O)NC(CC)CC)nnc2N2CC[C@@](F)(C#N)C2)cc1 1728657761 GURQEMSMTLEXCO-HSZRJFAPSA-N 455.538 2.436 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1C[C@@]1(O)CCSC1)[C@@H]1CCS(=O)(=O)C1 1740619399 IJLYYASKCFZCSD-XLIONFOSSA-N 467.016 2.093 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1CC1(O)CC(OCC)C1 1740681199 YPOUTEIGJDFTEK-UHFFFAOYSA-N 466.380 2.062 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H](C)N(C)C2CC2)CC1 1740703593 YACFWOHFMAFJFF-OAHLLOKOSA-N 488.434 2.484 30 10 JEEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CO)(Cc2ccccc2)CC1 1740716903 DHPASZJFHYOIBQ-OAQYLSRUSA-N 488.679 2.368 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2cscn2)CC1 1740750681 SVIAEILEVKIFOF-HKUYNNGSSA-N 459.620 2.176 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(CC(=O)N(C)C)CC1 1740754917 HNCOMMMKNVDXIH-YADARESESA-N 498.628 2.154 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccccc2OC)nnc1N1CCN(C(=O)COC)CC1 1740759482 JPHKGNDNAOIVAY-GBXCKJPGSA-N 469.586 2.154 30 10 JEEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(CCO)Cc1ccc(F)c(Br)c1 1740777472 DANRQDIDCJNQIN-ZDUSSCGKSA-N 490.399 2.365 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(Br)n1 1740941667 PYABXVWHOVJNSK-CQSZACIVSA-N 470.393 2.025 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN([C@H](C)c2ccsc2)CC1 1740966683 VPAMPFAASAQYMF-LQWHRVPQSA-N 474.631 2.249 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2ccccc2Cl)C1 1740991567 ZHWWZLZRMRWEMD-QZTJIDSGSA-N 479.990 2.061 30 10 JEEE CCOC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1746551974 HYMSEZCCHRVGJR-FQEVSTJZSA-N 465.558 2.354 30 10 JEEE CN(CCN1CCOC(C)(C)C1)c1nnc(-c2cccc(C#N)c2)n1CCCN1CCOC1=O 1747965851 FMRKFBLJIZZNHK-UHFFFAOYSA-N 467.574 2.206 30 10 JEEE CNC(=O)C(C)(C)Cn1c(Cc2ccncc2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1748089264 CBFALYQHGGCOPE-UHFFFAOYSA-N 476.560 2.373 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1ccnc(OC(F)F)c1)[C@@H]1CCS(=O)(=O)C1 1748815314 OOEFDUJJOICALU-IAGOWNOFSA-N 481.525 2.191 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1ccc(N(CC)CC)nc1)[C@@H]1CCS(=O)(=O)C1 1748817971 UEIOHKPJXVLVNI-NHCUHLMSSA-N 486.642 2.088 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@]1(C)CCCO1 1748881504 GFXZSDYSAQOEKZ-QHCPKHFHSA-N 455.584 2.227 30 10 JEEE C#CCN(CC#CC)c1nnc(CSc2ccccc2OC)n1C[C@H]1CCN(S(C)(=O)=O)C1 1748902027 FJRVSTHNKJMFOD-IBGZPJMESA-N 487.651 2.323 30 10 JEEE C#CCN(CC)c1nnc(-c2ccc(OC)c(Br)c2)n1CCCNS(C)(=O)=O 1748917340 VMDUJVWYJKHJPS-UHFFFAOYSA-N 470.393 2.115 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccccc2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1748956688 XODZHRIPDGEXBX-SFTDATJTSA-N 451.550 2.377 30 10 JEEE C=C(Cl)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(C(=O)COC)CC1 1749266028 BXIFOTNFGUJNOE-KRWDZBQOSA-N 483.013 2.440 30 10 JEEE C=C(Cl)Cn1c(N2CCCN(S(C)(=O)=O)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1749284579 LIQKMDDJWSRSBL-IYBDPMFKSA-N 489.042 2.273 30 10 JEEE COC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](C(F)(F)F)C1)OC 1749343570 BJOCSNHOYJMYHL-DLBZAZTESA-N 455.437 2.158 30 10 JEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(n2cc(Cl)cn2)CC1 1749427093 KWHDHHKYCVZYET-GOSISDBHSA-N 484.026 2.269 30 10 JEEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2c(CC)nn(C)c2Cl)CC1 1749429144 GTULAINOHSSGHE-SFHVURJKSA-N 461.014 2.467 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@H](C)[C@@H](C)C1 1749734718 LIMPLLULBNXLEB-ROUUACIJSA-N 459.620 2.145 30 10 JEEE COCCN(C)CCn1c(C(=O)N2CCCC2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1749773249 CNMYYKXSKZZSPI-UHFFFAOYSA-N 481.601 2.012 30 10 JEEE C[C@]1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H](CNS(C)(=O)=O)C2)CCCO1 1751302501 BVSCGJHTYLUSSS-PGRDOPGGSA-N 458.588 2.151 30 10 JEEE Cc1ccc(CCn2c(C(=O)NC(C)C)nnc2N2CCN(c3nccnc3C#N)C[C@@H]2C)cc1 1751499405 BPRCRPCLJXIZIB-IBGZPJMESA-N 473.585 2.344 30 10 JEEE C[C@H]1COCCN1CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1752419838 FXCIZSKQDDOSGX-FQEVSTJZSA-N 495.628 2.144 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CC(=O)N(CCOC)C1 1760113054 PJRDLCMEBOZCIR-UFYCRDLUSA-N 488.633 2.345 30 10 JEEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)Nc2ccccc2)CC1 1760154868 KQFBALHMXHCMPD-GOSISDBHSA-N 470.599 2.384 30 10 JEEE C#CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1Cc1cnn(CCOC)c1 1760172353 PFXRRXCQLFLFNS-UHFFFAOYSA-N 457.579 2.353 30 10 JEEE C#CCN(c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCCS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 1760184938 ZLBYBGFLSKMNBZ-FQEVSTJZSA-N 492.667 2.304 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](c1cccs1)N1CCCC1 1760209431 COEARUDIXNIWHH-RBUKOAKNSA-N 474.656 2.250 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1Cc1ccc(C(N)=O)cc1 1760243639 CLFMAMVTLNFLRU-UHFFFAOYSA-N 471.359 2.279 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1760246492 YWKPWKGVTLRHIZ-VXKWHMMOSA-N 482.610 2.107 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccc(C)c2)n1 1760251503 BMGQCZYBNIYLFS-NRFANRHFSA-N 482.610 2.020 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCCOCC(F)F)CC1 1760267287 IRUITRAMCNSGFG-UHFFFAOYSA-N 489.523 2.354 30 10 JEEE C=CCN(Cc1cccs1)c1nnc(-c2cnn(C)c2)n1CCS(=O)(=O)N1CCSCC1 1760486156 FDASBOGZYZMATI-UHFFFAOYSA-N 493.684 2.311 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC[C@H](c3noc(C(C)C)n3)C2)nnc1[C@]1(OCC)CCOC1 1760528852 OQNDYFIOKSOZFE-SBUREZEXSA-N 473.578 2.123 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(c3ccccc3)CCOCC2)C1 1760535799 XILNSUZUBHACDC-CTNGQTDRSA-N 489.642 2.418 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccccc2Cl)C1 1760542560 IMUNIGZCBJOUOT-HKUYNNGSSA-N 482.006 2.094 30 10 JEEE CCN(CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCO[C@@H](C#N)C1)C(C)C 1766878505 HJNSDDXZBVOCTK-SFHVURJKSA-N 458.563 2.430 30 10 JEEE CN(CC(=O)N1CCOCC1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CC[C@H](F)C1 1767008143 CYCBJUHRIIYREB-MOPGFXCFSA-N 456.522 2.162 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1772660003 SITIDMCOPKBGKJ-HRAATJIYSA-N 482.006 2.369 30 10 JEEE N#Cc1ccccc1S(=O)(=O)Nc1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cn1 1858292982 YDWPNSCPTWIXSB-UHFFFAOYSA-N 459.465 2.463 30 10 JEEE Cc1n[nH]c(C)c1S(=O)(=O)Nc1ccc(N2CCN(C(=O)c3cccc(C#N)c3)CC2)nc1 1858442218 XHGAAKZNQMFGOW-UHFFFAOYSA-N 465.539 2.056 30 10 JEEE N#Cc1c(NC(=O)CN2CCN(c3nnc(-c4ccccc4)c(O)n3)CC2)sc2c1CCC2 1859431244 VBKSQCXQOGTTQV-UHFFFAOYSA-N 461.551 2.427 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCNC(C)=O)[C@@H]2c2ccc(O)c(OC)c2)cc1C 1862403871 GWUZISQNNKASPQ-OAQYLSRUSA-N 454.479 2.432 30 10 JEEE O=C(C1=C(O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccccc1C(=O)O)c1ccc(F)cc1 1862678000 IYYWNURNGGSPAJ-FQEVSTJZSA-N 454.454 2.434 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)[C@H](CCC(N)=O)NC(=O)OCc2ccccc2)nc1C 1866117042 SJIMMNSLOOVHCJ-HNNXBMFYSA-N 460.512 2.293 30 10 JEEE C=CCN(CC=C)c1nc(NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccccn2)C3=O)n(C)n1 1870004041 RJOXZYVJXUMGQH-UHFFFAOYSA-N 457.494 2.437 30 10 JEEE C=CCn1cc(OCC(=O)NCCN(CC)CC)c(=O)cc1CN1CCc2ccccc2C1 1870535304 OJUHSYLCZXYNQO-UHFFFAOYSA-N 452.599 2.429 30 10 JEEE C=CCn1cc(OCC(=O)Nc2ccc(Br)cc2)c(=O)cc1CN(C)CCO 1870727928 ZEZOHVXDLPPZKS-UHFFFAOYSA-N 450.333 2.238 30 10 JEEE C=CCn1c(C(=O)N(CC)CCc2ccncc2)cc2c(NCCN3CCOCC3)ncnc21 1875227644 IAQRICGKGOIHAL-UHFFFAOYSA-N 463.586 2.461 30 10 JEEE CN(C)CC#C[C@@H]1CCCN1C(=O)C[C@H]1CSc2nc3c(cnn3-c3ccccc3)c(=O)n21 1890525116 RZOCQMYBIRKDDB-MJGOQNOKSA-N 462.579 2.175 30 10 JEEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)NCCn2cc(I)cn2)C1 2062969348 MTKQCHOGBYDZTF-UHFFFAOYSA-N 460.316 2.465 30 10 JEEE CC(C)(C)OC(=O)N[C@H](C(=O)NCCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)C1COC1 2180968588 RECZDZAEABUHOY-IBGZPJMESA-N 460.380 2.184 30 10 JEEE CO[C@H](C(=O)NCc1cccc(B2OC(C)(C)C(C)(C)O2)c1)C1CN(C(=O)OC(C)(C)C)C1 2180983504 DCDCHBOQJJNAOU-IBGZPJMESA-N 460.380 2.484 30 10 JEEE CC(C)(C)OC(=O)N1CC(n2cc(C(=O)N3CC=C(B4OC(C)(C)C(C)(C)O4)CC3)nn2)C1 2180988252 ZNLWMRJIVAUVLY-UHFFFAOYSA-N 459.356 2.474 30 10 JEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C(=O)N2CC=C(B3OC(C)(C)C(C)(C)O3)CC2)[C@H]1OC 2205486418 HXBJIQZEDTVYLX-KURKYZTESA-N 466.384 2.426 30 10 JEEE COCC1(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CC(NC(=O)OC(C)(C)C)C1 2233436213 ZUHKFVORFDORSY-UHFFFAOYSA-N 462.356 2.034 30 10 JEEE Cc1csc(CNC(=O)[C@@H](CO)CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2256674305 JSCXRBWVHUFUJZ-CQSZACIVSA-N 454.398 2.105 30 10 JEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H]1COC[C@H]1CNC(=O)OC(C)(C)C 2267005605 NXQMZIKXWARCHK-ZBFHGGJFSA-N 450.341 2.157 30 10 JEEE CON(CCNS(=O)(=O)Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)OC(C)(C)C 2267474223 QWIJVPWHCYKHSR-UHFFFAOYSA-N 470.397 2.204 30 10 JEEE Cc1c(B2OC(C)(C)C(C)(C)O2)csc1C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1CO 2267582893 KBOLJOCPYDXEQR-HNNXBMFYSA-N 466.409 2.410 30 10 JEEE CC(C)(C)OC(=O)N[C@@]1(C(=O)O)CCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2267591109 XKSCDCHARGZKAX-NRFANRHFSA-N 466.365 2.241 30 10 JEEE CN([C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2267719526 DLQIERHWKDIAOY-HXUWFJFHSA-N 457.405 2.276 30 10 JEEE C=C(CS(=O)(=O)N(CCO)C[C@H]1CCCN1C(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2267725368 XZCOYAYULNLUIP-QGZVFWFLSA-N 474.429 2.198 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@H]2[C@@H](C(=O)NCc3ccc(B4OC(C)(C)C(C)(C)O4)s3)[C@H]21 2268722180 WOTQOEDMDXMCCU-GVDBMIGSSA-N 464.393 2.298 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2281767445 GTMVWNXEYKQIIY-MSOLQXFVSA-N 464.343 2.225 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2C[C@H](B3OC(C)(C)C(C)(C)O3)C2)[C@H]2CS(=O)(=O)C[C@@H]21 2281957145 IAFQZFULIWJURN-QAETUUGQSA-N 484.424 2.104 30 10 JEEE Cn1nc(C(=O)N[C@H]2C[C@@H]3CC[C@H](C2)N3C(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2281967169 VYCJHGMFHGVDCI-PHZGNYQRSA-N 460.384 2.380 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)(C(F)(F)F)C1 2281987215 YMIJUCQIAGWYQL-IBGZPJMESA-N 474.289 2.381 30 10 JEEE CCc1nn(C)c(C(=O)NC[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2281993252 YNEVIEFHKAROPP-OAHLLOKOSA-N 462.400 2.269 30 10 JEEE CC(C)(C)OC(=O)N1[C@H](CNC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)C[C@@H]2COC[C@H]21 2282029655 VLXDQGFYLDZBNF-IJEWVQPXSA-N 479.408 2.197 30 10 JEEE Cn1cc(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 2282035779 ZNBLXAAHUUHYNW-RDJZCZTQSA-N 460.384 2.191 30 10 JEEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@H]3CN(Cc4ccccc4)CCO3)cc2)OC1(C)C 2282349751 CSLWPMBNRZOYHB-NRFANRHFSA-N 472.416 2.165 30 10 JEEE CC[C@@H]1CN(S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CCN1Cc1ccccc1 2282350449 NAWCJQPVLZSNER-LJQANCHMSA-N 474.436 2.004 30 10 JEEE Cc1c(C(=O)N2CCC(CNC(=O)OC(C)(C)C)CC2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282554842 KAFBGFMJLNWOKJ-UHFFFAOYSA-N 462.400 2.405 30 10 JEEE C[C@H](NC(=O)c1ccoc1B1OC(C)(C)C(C)(C)O1)C1(O)CCN(C(=O)OC(C)(C)C)CC1 2282637515 ZWHMLBKMVHIXCB-HNNXBMFYSA-N 464.368 2.459 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2O)C1 2282818180 CUDMXYXWOCHMPU-INIZCTEOSA-N 462.352 2.057 30 10 JEEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC(N(C)C(=O)OC(C)(C)C)C1 2282871981 OLKKPTKKLRSCFU-UHFFFAOYSA-N 482.408 2.234 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@H]1CC(=O)N=c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)[nH]1 2283986210 CTMVSKMXXWYPOC-CQSZACIVSA-N 481.786 2.421 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1COC[C@@H]1CC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2284058742 BDNAPKYXYQEQHK-BBRMVZONSA-N 465.331 2.388 30 10 JEEE CC1(C)OB(c2sncc2C(=O)N[C@@H]2CCOC[C@H]2NC(=O)OCc2ccccc2)OC1(C)C 2315684419 NDYOJVZGHGFJDT-QZTJIDSGSA-N 487.387 2.256 30 10 JEEE CCOc1ccc(C=CC(=O)[C@H]2C[C@H](NC(=O)CN3C(=O)c4ccccc4C3=O)CCN2)cc1 2328074867 SQDOYNVERGJHRM-XMSQKQJNSA-N 461.518 2.201 30 10 JEEE C=CC1(N[C@@]2(C(=O)O)CCCOC23CN(C(=O)OC(C)(C)C)C3)CN(C(=O)OC(C)(C)C)C1 2350986547 MIOMEJLBSYRJDX-HSZRJFAPSA-N 467.563 2.375 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CC[C@H]1N(S(=O)(=O)c1cncc(B3OC(C)(C)C(C)(C)O3)c1)C2 2359274141 DCMHHYPBGJZFNF-ZTFGCOKTSA-N 479.408 2.057 30 10 JEEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCc2ccc(Cn3cccn3)cc2)CC1 26393288 MVQOPDUFEGKIFG-UHFFFAOYSA-N 464.551 2.019 30 10 JEEE COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cccnc2)cc1OC 102510305 CCCYCHHHIHVGQS-VFJWVMJUSA-N 467.522 2.243 30 10 JEEE C=CCn1c(=NC(=O)c2cc(OC)c(OC)c(OC)c2)sc2cc(S(N)(=O)=O)ccc21 263626872 MVIYEFHYSJCHHA-UHFFFAOYSA-N 463.537 2.303 30 10 JEEE Cc1ccc(S(=O)(=O)NC[C@@H]2CCCN(S(=O)(=O)c3ccc(F)c(C#N)c3)C2)cc1 488791573 LILWAPJBJXXZAL-INIZCTEOSA-N 451.545 2.385 30 10 JEEE C=CCN(C(=O)CCS(=O)(=O)c1ccc2c(c1)OCCO2)c1nc(C(=O)OCC)cs1 501943360 GSLJAPNOUVBFNB-UHFFFAOYSA-N 466.537 2.474 30 10 JEEE C=CCNC(=O)CN1CCN(C(=O)c2c(C)nn(-c3ccc(Br)cc3)c2C)CC1 615346649 RKTRLDMPPLRYEJ-UHFFFAOYSA-N 460.376 2.312 30 10 JEEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCCN([C@@H](C)c3ccc(F)cc3)C2=O)cc1 1159323853 DRMKXWXVXQPKCZ-KKSFZXQISA-N 457.527 2.219 30 10 JEEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1286312119 RJBQPSBQJMFEER-UHFFFAOYSA-N 454.497 2.213 30 10 JEEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C)Sc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1286390013 VECCKSKQCTULDL-SCTDSRPQSA-N 473.624 2.037 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCn1ccnc1C 1286410062 WBGUWHWFEHXPGM-UHFFFAOYSA-N 454.538 2.343 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccccc2Br)n1CCOCCS(C)(=O)=O 1286422950 DDLAJAWXEWWVPZ-UHFFFAOYSA-N 479.400 2.232 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)c1ccc(F)cc1 1286431749 RDNYKIWLZDAAOA-GHTZIAJQSA-N 473.574 2.017 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2Cc2ccc(CN3CCC(O)CC3)cc2)CC1 1286486934 RQKJXIPPEBOCGR-UHFFFAOYSA-N 478.641 2.372 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H](Cc2ccccc2)OC)CC1 1286493282 NATPQDNSNBEUJS-XZOQPEGZSA-N 465.598 2.396 30 10 JEEE C=C(Br)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1286533977 NRRMEVHSLUAPBU-ZDUSSCGKSA-N 485.364 2.232 30 10 JEEE C=C(C)Cn1c(COc2cccc(C)c2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1286601555 POXMCLTVQLSHSE-UHFFFAOYSA-N 452.559 2.013 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C(C)C)C2)cc1 1286794561 KKSQHILYBKSPIJ-YLJYHZDGSA-N 463.604 2.363 30 10 JEEE C=CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@H](CNC(C)=O)C1 1286830287 KSVCAUDFKDWEDE-GOSISDBHSA-N 481.626 2.464 30 10 JEEE CC(C)N1CCC(O)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)CC1 1287972991 AHIZSCVVUYOWPP-OAQYLSRUSA-N 486.642 2.065 30 10 JEEE CCO[C@@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2Cc2cccc(OCCN(C)C)c2)CCOC1 1296605310 HGQRLEOYJMYVAH-ZEQRLZLVSA-N 472.565 2.361 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1CC1(C)COC1)[C@@H]1CCS(=O)(=O)C1 1300482023 CWPDDZLANXUDBX-DLBZAZTESA-N 462.547 2.220 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@]1(OC)CCOC1)[C@H]1CCS(=O)(=O)C1 1300490061 YRLNIPRVRBBAAQ-JTSKRJEESA-N 495.001 2.039 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1ccc(COCC)cc1)[C@H]1CCS(=O)(=O)C1 1300499569 VCYVRYFZZYEODC-QHCPKHFHSA-N 479.606 2.475 30 10 JEEE C#CCN(c1nnc(CC2CCCC2)n1CCCN1CCCCC1=O)[C@H]1CCS(=O)(=O)C1 1300500836 DXNQNDHGQMLMKW-FQEVSTJZSA-N 461.632 2.040 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@](C)(O)c2ccco2)CC1 1300686288 ZQUKAYHURNPJDL-OAQYLSRUSA-N 473.375 2.302 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCNC(=O)C(C)C)CC1 1300712805 WLOWTSWMRFVBEM-GOSISDBHSA-N 484.576 2.295 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2CCN2CCOC(C)(C)C2)CC1 1300731316 NYNBPCKHJFCHSE-UHFFFAOYSA-N 494.640 2.242 30 10 JEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1300768034 KLGNJGWOBMLOBN-UHFFFAOYSA-N 467.574 2.104 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)NCC)CC1 1300890905 IQPIGWMSSFGSJZ-XLIONFOSSA-N 487.630 2.102 30 10 JEEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1301189224 SWEJELLOPMPBGT-QZTJIDSGSA-N 455.625 2.219 30 10 JEEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCOC2)C[C@H]1C 1301927383 DSMWSBSXOMLPHS-TZIWHRDSSA-N 454.575 2.312 30 10 JEEE Cc1nc(-c2ccccc2)sc1-c1nnc(N2CC[C@@](F)(C#N)C2)n1CCNS(C)(=O)=O 1304057004 HLJPSHJJCZOILE-HXUWFJFHSA-N 475.575 2.368 30 10 JEEE CNC(=O)[C@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(C(=O)N(C)C)CCCC2)C1 1314960286 AIYWEVDMNKQTOS-XMMPIXPASA-N 463.586 2.428 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1cccc(C(=O)NC)c1 1358890420 PCIRXRULVIZGMM-GOSISDBHSA-N 458.570 2.318 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCOCC)[C@H]1CCS(=O)(=O)C1 1358956121 AOVAZOMPDSUASX-WMZOPIPTSA-N 450.536 2.220 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1ccc(OCCOC)cc1)[C@@H]1CCS(=O)(=O)C1 1358960379 CWCIVIVXRMYYOO-OAQYLSRUSA-N 481.578 2.040 30 10 JEEE C#CCN(c1nnc([C@@H]2COc3ccccc3O2)n1CCCN(C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1358963031 AOPYTYNTZSCFOM-KNQAVFIVSA-N 487.626 2.148 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC2=CCCOC2)CC1 1359034780 CHMSUONKDYGFRN-NRFANRHFSA-N 470.618 2.495 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H]2CCCCN2CC)CC1 1359040064 GQBCCTPNPOIRBD-NRFANRHFSA-N 471.650 2.037 30 10 JEEE C#CCSCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1359054708 DRRWFPNYBKJEFX-KRWDZBQOSA-N 486.623 2.437 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1359089261 FVAAASZGQIYZII-UXHICEINSA-N 468.606 2.131 30 10 JEEE C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 1359117387 XPFGXXCXZBPDSI-UXHICEINSA-N 480.617 2.318 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1359118490 MNOKWVGHLLAHDR-VGOFRKELSA-N 461.588 2.156 30 10 JEEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1359126875 BKFJSDKVIBCUIC-CQSZACIVSA-N 458.382 2.252 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cc(OC)ccc2OC)CC1 1359178958 HSUJYJVMZDVDAG-OAQYLSRUSA-N 491.614 2.079 30 10 JEEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccc(N2CCOCC2)nc1 1359233838 SQCTZNZHOJXVCF-UHFFFAOYSA-N 468.583 2.251 30 10 JEEE C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1359290623 JPUURHUYHKDUQL-QZTJIDSGSA-N 464.592 2.023 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H]2CC(=O)N(CCOC)C2)C1 1359315890 DMPXENVXYFTXKO-AEFFLSMTSA-N 460.966 2.270 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CCN(C)C(C)C)C1 1359318284 AQXDQMXXAYFJCM-GOSISDBHSA-N 461.636 2.360 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN2CCCC(C)(C)C2)C1 1359321690 KJQTZDXNYFFUAK-RBUKOAKNSA-N 451.637 2.084 30 10 JEEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1359336600 VUQIFRVIYGPLKF-GOSISDBHSA-N 484.630 2.427 30 10 JEEE C[C@H]1CN(Cc2ccccc2)C[C@@H](C)[C@@H]1NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 1445511942 FYSBCTQIJCWALI-KCESLBEFSA-N 454.596 2.498 30 10 JEEE CC[C@H](C)[C@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)C(=O)NCC(C)(C)C#N 1466792117 CCGJGYUIBWYOCX-GUYCJALGSA-N 456.996 2.401 30 10 JEEE C#CCn1ccc(CN(CC)S(=O)(=O)c2cc(C(=O)OC)c(Br)cc2F)n1 1475261403 KPFBHRQGBRCDHL-UHFFFAOYSA-N 458.309 2.415 30 10 JEEE CN(C)C(=O)CCn1c(COc2ccccc2F)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1503366549 BUXZBZQRNVVHDX-UHFFFAOYSA-N 478.532 2.068 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Cl)n1Cc1cnn(CC)c1)[C@@H]1CCS(=O)(=O)C1 1507630133 UERQLXUJZNBZDG-QGZVFWFLSA-N 458.975 2.490 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCC1(COC)CCCC1)[C@@H]1CCS(=O)(=O)C1 1507633722 UUKPVSXDPUPEIT-VQTJNVASSA-N 464.632 2.396 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@@](C)(OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1507634058 KSGLFWNIYKSAMW-NFBKMPQASA-N 460.575 2.450 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCN(CCOC)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1507811236 OWNRGCUMBWXRNV-AWRGLXIESA-N 463.623 2.068 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(CCOC(C)C)CC1 1507824718 GNIWMSDQUSNZKK-UHFFFAOYSA-N 476.647 2.319 30 10 JEEE C=C(C)COCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN2CCOC[C@@H]2C1 1507839317 CGIWXVYUXAGADT-FQEVSTJZSA-N 457.575 2.466 30 10 JEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@]2(CCSC2)C1 1507935716 UFRZOIKRZBSAMI-PXNSSMCTSA-N 455.650 2.301 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2CCCOC2)n1C[C@]1(N2CCOCC2)CCSC1 1508040783 AJSHEJSXUAZKMD-SIKLNZKXSA-N 451.637 2.019 30 10 JEEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 1508079864 FUKKDMHHBREQCG-GOSISDBHSA-N 471.468 2.217 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC(S(=O)(=O)c2ccccc2)CC1 1508087033 AKFCOJFPNQKOJZ-FQEVSTJZSA-N 473.599 2.265 30 10 JEEE C=CCOc1ccccc1Cn1c(Cc2cccnc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1508110106 YACKUIDBMBELBP-UHFFFAOYSA-N 475.597 2.087 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1C[C@H](C2CC2)O[C@H](C)C1 1508144346 PPMBIXZDYXICIP-DYESRHJHSA-N 460.600 2.482 30 10 JEEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1Cc1cccnc1OCC(F)(F)F 1513916166 DDBKQUYRJYTTJT-UHFFFAOYSA-N 489.506 2.465 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCNc1ccc(C(F)(F)F)cn1 1538970300 BUXLADRPUWNDKP-ZIAGYGMSSA-N 473.525 2.262 30 10 JEEE C#CCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1539082026 KWXCCZBEWMBAFV-UHFFFAOYSA-N 477.569 2.106 30 10 JEEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cc(F)ccc1F)[C@@H]1CCS(=O)(=O)C1 1539206182 MZDUBPFNRHKFLT-AUSIDOKSSA-N 494.564 2.272 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1CCc1ccc(F)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1539211629 MUVPMHATBCYDJW-QGZVFWFLSA-N 457.506 2.488 30 10 JEEE C#CCN(c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCC=C)[C@H]1CCS(=O)(=O)C1 1539218604 BFHMZHVEBPJMQC-OALUTQOASA-N 493.630 2.179 30 10 JEEE C#CCN(c1nnc(C2CCC2)n1CCc1cccc(C(=O)N(C)C)c1)[C@@H]1CCS(=O)(=O)C1 1539220342 IYLMTXQVHSHGTK-OAQYLSRUSA-N 469.611 2.117 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@](C)(O)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1539225806 PWQQVUZQPZXKLN-ZJSXRUAMSA-N 471.627 2.222 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1ccccc1Cl)N(C)C 1539370433 VZUXBRBMSRXBNS-PMACEKPBSA-N 495.049 2.027 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H](c2cccs2)N2CCOCC2)CC1 1539428077 MSXPAPLHBRJVSJ-NRFANRHFSA-N 499.685 2.087 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@]2(C)CCCS2)CC1 1539434219 DETBMAYKJQUXAY-QFIPXVFZSA-N 459.641 2.390 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2Cc2ncnn2C(C)(C)C)CC1 1539434353 IYCPYILNWAFRPU-UHFFFAOYSA-N 486.422 2.196 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCCO[C@@H]2C(C)(C)C)CC1 1539466717 DTHKNLSLHNRVEX-SFTDATJTSA-N 484.645 2.321 30 10 JEEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCCO[C@@H](C)C1 1539499166 GMRHDTXMSIIUFZ-KRWDZBQOSA-N 463.629 2.177 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1539751657 ROJPQANHUSUJDI-OALUTQOASA-N 451.637 2.084 30 10 JEEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](Cc2ccccc2)C1 1540005501 LWXKPQUVNUNKKF-LEWJYISDSA-N 475.615 2.025 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1cc(F)cc(F)c1 1540896757 STUFMBGQSZDZAB-UHFFFAOYSA-N 453.515 2.030 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 1540900844 JWDWBFCCTRJKOK-IBGZPJMESA-N 486.642 2.416 30 10 JEEE CNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CCCC2)C1 1554420460 GGTUVKNJVXPPCQ-IBGZPJMESA-N 470.599 2.137 30 10 JEEE COCCN1C[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H](COC)C2)CC1=O 1555573337 AREYWFUQLLOWRX-UXHICEINSA-N 452.559 2.174 30 10 JEEE N#CCCn1cc(CNc2cccc(S(=O)(=O)N3CCOCC3)c2)c(-c2ccncc2)n1 1560464385 BDPOKGQNQPVRQK-UHFFFAOYSA-N 452.540 2.492 30 10 JEEE C=C(CC)CNC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 1570327141 DNJPUSGSVKPHKR-CQSZACIVSA-N 455.886 2.354 30 10 JEEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1587861455 MBLVCNBNMHDXGL-SQNIBIBYSA-N 483.635 2.258 30 10 JEEE C#CCN(c1nnc(CC)n1CCC(=O)Nc1cccc(Cl)c1C)[C@H]1CCS(=O)(=O)C1 1588060048 YKOUUOMWSSKKBJ-INIZCTEOSA-N 463.991 2.458 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@]1(N(C)C)CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1588073770 DKUTUNHVXKUAHN-AWWSKVOZSA-N 463.648 2.267 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCC(=O)N3)n2Cc2sccc2C)n1 1588723889 QQUDWEYQTRCJJJ-SFHVURJKSA-N 453.572 2.130 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2CCCN2CCCO[C@H](C)C2)CC1 1588848931 RBQAIJMHRAZTCB-OAQYLSRUSA-N 454.594 2.264 30 10 JEEE C#CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1589036738 OBJMPVBXPVBSTE-QGZVFWFLSA-N 462.597 2.444 30 10 JEEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC[C@H](N1CCOCC1)C(F)(F)F 1594942978 IYFINXCAYPDSTR-SFHVURJKSA-N 491.518 2.467 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCOC2(CCOCC2)C1 1595475775 FOWGJORWYHPRGN-KRWDZBQOSA-N 459.522 2.245 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC=C(Br)C2)nnc1[C@@]1(OC(C)C)CCOC1 1595602617 OPMGBNBQEWYUDA-LJQANCHMSA-N 454.369 2.110 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@@H](C)N(C)C1CC1 1608562241 AWWYSJXPLBPURM-GOSISDBHSA-N 450.591 2.097 30 10 JEEE CCC[C@@](C)(O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1614333562 DGLQVGHVMSNTOH-WZONZLPQSA-N 455.538 2.118 30 10 JEEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(O)(C(F)(F)F)CC1 1617313189 FKLKGRAXWUYDSP-UHFFFAOYSA-N 457.478 2.145 30 10 JEEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N2C[C@@H](CO)[C@H](CO)C2)c1 1646581364 KVBJMRUXCIBCLB-ROUUACIJSA-N 464.971 2.394 30 10 JEEE CC(C)(C)OC(=O)NCCC(=O)NC[C@@H]1CCCCN1S(=O)(=O)c1cccc(C#N)c1 1655069768 HMWITATVMMFIFL-KRWDZBQOSA-N 450.561 2.132 30 10 JEEE Cc1nn(C)c(N2CCN(S(=O)(=O)c3cccnc3Oc3ccc(F)cc3)CC2)c1C#N 1661433356 BPRDIAZOIZIXSQ-UHFFFAOYSA-N 456.503 2.438 30 10 JEEE N#Cc1ccc(CN2CC[C@@H](NC(=O)NCc3nnc4ccc(C(F)(F)F)cn34)C2=O)cc1 1682612156 FQDBGBRTNGDGQZ-MRXNPFEDSA-N 457.416 2.220 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2CC[C@H]2CCCCO2)c1 1689873860 ZQTWJLAUHBRROU-OAQYLSRUSA-N 464.570 2.416 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H](C)Oc1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 1689988129 JULBXPBCSCIJAI-QUCCMNQESA-N 468.583 2.081 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2c[nH]c3ccccc23)n1CCN/C(O)=C1\N=CC=CC1=O 1690042839 FCVXGGFEBRUAPN-ZNTNEXAZSA-N 453.506 2.416 30 10 JEEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 1690484754 CMBVZCCVMWJDGD-SFHVURJKSA-N 461.563 2.134 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1690676309 VZEQLYGGSDZZGP-OAQYLSRUSA-N 495.628 2.358 30 10 JEEE C=CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1690736556 IWAGLZGHHIJABV-SFHVURJKSA-N 451.556 2.209 30 10 JEEE CO[C@](C)(Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1)C1CC1 1697098019 FUFFCHZJNCMDSS-KSFYIVLOSA-N 458.588 2.102 30 10 JEEE C#CCCCCn1c(-c2cccnc2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1705514454 WYHNIXIASODWJQ-UHFFFAOYSA-N 463.586 2.084 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(C(=O)N2CCCCC2)cc1 1705596329 AZUHLVZAJZOBCE-JOCHJYFZSA-N 458.566 2.367 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2(CCOCC)CCCC2)CC1 1705647850 MZBWCLASJYRXGJ-HXUWFJFHSA-N 470.618 2.182 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccc(F)c(COC)c2)CC1 1705652519 CEGOQICYAGLEQU-OAQYLSRUSA-N 455.534 2.429 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H](C)OC)CC1 1705652992 VPWSURSDRGNYBH-YTQUADARSA-N 474.606 2.050 30 10 JEEE C#CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(C(=O)NCC)CC1 1705662353 WQMSMFRVQCAJCZ-LJQANCHMSA-N 456.572 2.009 30 10 JEEE C=CCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1705892607 RTFYUOKGMFUIKY-PMACEKPBSA-N 460.648 2.087 30 10 JEEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@H](C(F)F)C1 1705900742 NYDKKOJTRRCRPN-AWEZNQCLSA-N 467.546 2.022 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](COC)C1 1705910379 AMEMDOMKHIFGML-LJQANCHMSA-N 464.526 2.390 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H](n2cncn2)C1 1705931580 UMAIGVUNQWIAOS-HNNXBMFYSA-N 495.407 2.070 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1C[C@H](CC)O[C@H](C)C1 1705936401 QCRVMEHWFXXGQR-UWVAXJGDSA-N 462.572 2.395 30 10 JEEE C[C@H](CC#N)N(C)c1nnc(CN2CCCC2=O)n1C[C@H](c1cccs1)N1CCOCC1 1706749736 BYCQFWVYQXDGJJ-QZTJIDSGSA-N 457.604 2.274 30 10 JEEE Cc1ccc(NC(=O)c2nnc(N3CCO[C@@H](C#N)C3)n2CCNC(=O)C(C)(C)C)cc1C 1707521710 ANEDYTIQZZGKMR-SFHVURJKSA-N 453.547 2.038 30 10 JEEE Cc1nn(C)c(C)c1CN(C)c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)NC(C)C 1707798913 GBEJJTJCOVUIIU-UHFFFAOYSA-N 470.603 2.131 30 10 JEEE CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCCC1(C)C 1709191462 DJVNONKOWBVLRN-DVECYGJZSA-N 452.559 2.385 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H](OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1722360892 COIUNIJTAJNROE-NQIIRXRSSA-N 474.583 2.014 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@](C)(O)c1cc(C)oc1C)[C@@H]1CCS(=O)(=O)C1 1722364496 HOXGUPUSFOSGSV-YKSBVNFPSA-N 483.594 2.008 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CC1(COC)CCCCC1)[C@H]1CCS(=O)(=O)C1 1722367786 XTNWRUQMWSTVGR-NRFANRHFSA-N 471.627 2.488 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCc2scnc2C)CC1 1722434181 MCNGBGBZIPBPPI-UHFFFAOYSA-N 470.624 2.111 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@H](C)CN2CCOCC2)CC1 1722435258 FKLNNNMEDYKDOE-OAQYLSRUSA-N 482.629 2.076 30 10 JEEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@@H](NC(=O)CC)C1 1722457323 AYLKOXSYWICPOE-QGZVFWFLSA-N 479.610 2.053 30 10 JEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(F)cc1F 1722618986 XXHOAKXSINMDNF-SFHVURJKSA-N 455.531 2.492 30 10 JEEE C=CCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1722623990 PYDVDGUOWGBVMN-PMACEKPBSA-N 473.599 2.189 30 10 JEEE C=CCCOCCn1c(Cc2ccccn2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1722629038 KZDRAKHCHQBXSA-URXFXBBRSA-N 481.645 2.236 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCn2ccnc2C1 1722655007 BIYQOQOEHWNHKO-GHTZIAJQSA-N 494.625 2.412 30 10 JEEE C=CCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCN(CC(=O)NCCOC)CC1 1722683236 FZDSSXKYSBQLSF-UHFFFAOYSA-N 458.632 2.346 30 10 JEEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 1722739768 HZFBUMVFBFNUBL-GOSISDBHSA-N 458.588 2.449 30 10 JEEE CC(C)NC(=O)c1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1CCS(=O)(=O)CC1CC1 1723576380 GFOUWESCPDWFOQ-UHFFFAOYSA-N 482.610 2.406 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CC[S@](=O)C(C)(C)C 1723620712 FXPKCUXDSAWSDA-FPYOTAMTSA-N 472.615 2.413 30 10 JEEE C[C@H](Oc1ccccc1F)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@]1(O)CCS(=O)(=O)C1 1724004469 BFFNWKLQWCUSCD-WQTXXOFMSA-N 477.562 2.237 30 10 JEEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)N2CCOCC2)CC(C)(C)O1 1726722324 HCWVFNPCPHPGED-RTBURBONSA-N 454.575 2.453 30 10 JEEE CCOC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCN2CCCO)C1 1728708372 AISYTRKFKLVTRO-YADHBBJMSA-N 481.601 2.378 30 10 JEEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1C[C@@](C)(O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1740627532 IESYGGXIQHKTSC-HYBUGGRVSA-N 472.611 2.262 30 10 JEEE C#CCN(CC#CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@H]1CCN(CC)C1 1740658108 GVZCQJFGAJREHF-RUZDIDTESA-N 473.669 2.448 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@@H](C)N2CCOCC2)CC1 1740697748 LMCADKAGKRDCIA-MRXNPFEDSA-N 479.448 2.245 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)cn3C)n2CCOC(C)C)CC1 1740703102 GJXPWCWZAABEQK-UHFFFAOYSA-N 477.407 2.437 30 10 JEEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 1740801523 BSIZTAQOXLABMZ-CQSZACIVSA-N 487.413 2.143 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cc(F)c(F)c(F)c1 1740810506 DINSFHFZSTXTKL-HNNXBMFYSA-N 479.912 2.417 30 10 JEEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(c2ccc(OC)cc2)CC1 1740887153 DIGALPIDHKXFAT-FQEVSTJZSA-N 489.642 2.498 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 1740955067 LGNKGZXYDBWFPK-SFHVURJKSA-N 498.584 2.464 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC(NC(C)=O)CC1 1740989927 CCASMVKJFMHENK-UHFFFAOYSA-N 456.572 2.132 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1740994839 UXKUCZUWORJYMN-YADHBBJMSA-N 490.626 2.459 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCCN(C(C)(C)C)CC1 1740994918 WHZZDPBIOIFXBQ-UHFFFAOYSA-N 463.652 2.051 30 10 JEEE CCN1CCCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@H]1C 1746422384 ATQAWCDCBVWZOB-QUCCMNQESA-N 451.575 2.270 30 10 JEEE CNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCCO[C@@H](C)C2)C1 1748171548 DRSUTSZEXSXCSV-SIKLNZKXSA-N 465.602 2.280 30 10 JEEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1748771311 KBZHQMBYRIKDGA-RCZVLFRGSA-N 453.587 2.003 30 10 JEEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1cccnc1OCC(F)F 1748779312 FWAQDOMPLRAURP-UHFFFAOYSA-N 451.441 2.077 30 10 JEEE C#CCN(c1nnc(-c2cccn2C)n1Cc1ccnc(SC)c1)[C@@H]1CCS(=O)(=O)C1 1748812575 XAYCVFKWXUNMHI-QGZVFWFLSA-N 456.597 2.076 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1Cc1nc(C)cs1)[C@H]1CCS(=O)(=O)C1 1748818823 HCIUFACBLBAHSO-SFHVURJKSA-N 471.608 2.317 30 10 JEEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1CCC[C@H](O)C1)[C@@H]1CCS(=O)(=O)C1 1748819085 KGOOMYIGRAQZIF-NRSPTQNISA-N 460.575 2.186 30 10 JEEE C#CCSCCn1c(COc2cccc(C)c2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1749046568 BKCVFRPUJREFGF-XMMPIXPASA-N 482.610 2.346 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@]1(O)CCO[C@H]1C 1749051590 JUVRIGFLGJYLOX-FNVCAUGXSA-N 457.962 2.394 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Br)n1C[C@]1(O)CCS(=O)(=O)C1 1749060743 BBLRSCRGBYRSFW-WOJBJXKFSA-N 479.400 2.249 30 10 JEEE C=CC1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@]2(O)CCN(C)C2)CC1 1749342679 LSXCYXQVQVPQAZ-DVECYGJZSA-N 476.622 2.056 30 10 JEEE C=CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1749589907 MBGMBWJKAQRCGB-FDDCHVKYSA-N 456.547 2.292 30 10 JEEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1749754930 STFIDMMKDYFQKK-SFHVURJKSA-N 458.563 2.250 30 10 JEEE C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C(F)(F)F)c1 1750075660 HESLGBUDYDUNOL-RHSMWYFYSA-N 486.520 2.274 30 10 JEEE N#Cc1cccc(-c2nnc(N3CCS(=O)CC3)n2C[C@H]2CCN(CC(F)(F)F)C2)c1 1750381672 AISHHTQALJEBQM-INIZCTEOSA-N 452.506 2.270 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1Cc1ccc(CN2CCCC2=O)cc1 1751212157 HNLQIJHUUJYXSP-SFHVURJKSA-N 499.641 2.189 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1ccc(F)c(COC)c1)[C@@H]1CCS(=O)(=O)C1 1760188244 NYOPHWNUVYXPOK-CTNGQTDRSA-N 476.574 2.480 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2CC2([S@](C)=O)CC2)CC1 1760257986 DIJPBKMSUQFCHK-XIFFEERXSA-N 471.627 2.409 30 10 JEEE C#CCSCCn1c(Cc2ccsc2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1760283529 PYISUHUFEIWHJX-GOSISDBHSA-N 465.670 2.301 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1760313456 OFKWTZXQQDARHI-DYXWJJEUSA-N 460.623 2.087 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1760325967 SYTFBDLFOMEUIZ-ZJOUEHCJSA-N 462.620 2.134 30 10 JEEE C=CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCN(S(C)(=O)=O)CC1 1760440672 OFXKYMVYPIHOEZ-SFHVURJKSA-N 498.650 2.024 30 10 JEEE C=CCCOCCn1c(C(C)C)nnc1N1C[C@@H]2[C@H](C1)[C@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1760445605 PWZLSKBLJRAPBS-KZNAEPCWSA-N 483.635 2.121 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1760522269 PETAQTYHQBBTCB-NRFANRHFSA-N 482.585 2.176 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1760556949 VCQFXNXBNPBIFX-SVFBPWRDSA-N 460.600 2.340 30 10 JEEE CC(=O)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCCO[C@H](C)C2)CC1 1760597061 ASKHNPDEVKTTIU-HXUWFJFHSA-N 465.602 2.376 30 10 JEEE CC(C)SCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@H](C#N)C1 1761326399 GZLIVYWRRDTSOA-QGZVFWFLSA-N 464.617 2.066 30 10 JEEE CCO[C@@]1(c2nnc(N(C)Cc3ccc(C#N)cc3)n2C[C@@H](C)N2CCN(CC)CC2)CCOC1 1767388487 FLWKNGJOBPKEPY-RLWLMLJZSA-N 481.645 2.464 30 10 JEEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)N2CCC[C@@H](C)C2)CCO1 1767707199 GUIJXGLLIWIEKB-NQIIRXRSSA-N 465.602 2.278 30 10 JEEE COc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H]2CCCCS2(=O)=O)cc1OC 1768495476 GRYJQQSQJUZZJK-KKSFZXQISA-N 463.535 2.372 30 10 JEEE COC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1)OC 1770760744 DRNFUCLKDSOTAC-NRFANRHFSA-N 462.558 2.212 30 10 JEEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1OCC(F)(F)F 1772564683 QNJCHBDDFKZTIH-QGZVFWFLSA-N 489.520 2.223 30 10 JEEE CN(c1ccc(NS(=O)(=O)c2ccc3nc(O)[nH]c3c2)cn1)S(=O)(=O)c1ccccc1C#N 1858272269 QMTZLRSCHSRMQG-UHFFFAOYSA-N 484.519 2.161 30 10 JEEE C#CCOC(=O)NS(=O)(=O)c1ccc(CCNC(=O)Cc2ccc(Br)s2)cc1 1859014035 VOAYVUKCEMYCRQ-UHFFFAOYSA-N 485.381 2.460 30 10 JEEE Nc1cccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(C(=O)O)cc2)c1 1862559799 XEHAPIKBKOMEMM-OAQYLSRUSA-N 465.506 2.268 30 10 JEEE CC(=O)Nc1ccc(S(=O)(=O)Nc2c(C#N)nnn2-c2ccc(N3CCCC3)cc2)cc1 1870095493 NUOSTTYXRHJSMU-UHFFFAOYSA-N 451.512 2.498 30 10 JEEE COC(=O)CSc1nnc([C@@H]2CC(=O)N(Cc3ccccc3)C2)n1/N=C/c1cccnc1 1874210764 CAPSLFFTVCWLCH-SZMVHAFZSA-N 450.524 2.337 30 10 JEEE COCCc1nnc(SCC(=O)NCc2ccco2)n1/N=C/c1cc(OC)ccc1OC 1874470459 GYUQNYBPOWJLPC-FSJBWODESA-N 459.528 2.368 30 10 JEEE CCOc1cc(/C=N/n2c(CCOC)nnc2SCC(=O)OC)cc(Br)c1O 1874473083 LUHJVVDLQLYRBJ-DJKKODMXSA-N 473.349 2.481 30 10 JEEE CN1CCN(CC#CCOC2CCN(S(=O)(=O)c3cc(Cl)c(Cl)s3)CC2)CC1 1889513883 ISYNOAOSPYFDPK-UHFFFAOYSA-N 466.456 2.475 30 10 JEEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)N3CCN(c4ccc(N5CCOCC5)nn4)CC3)n[nH]2)c1C 1890189730 QEUKTHZMBIBMNM-UHFFFAOYSA-N 491.600 2.055 30 10 JEEE N#Cc1nccnc1OCC1CCN(C(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 1891975356 BOPUPFCHMLXQLA-UHFFFAOYSA-N 469.567 2.067 30 10 JEEE COC[C@@]1(C(=O)N2C[C@@H]3[C@H](C2)[C@@H]3B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)CCO1 2180983477 CWHASANHPNRJNA-BMCPXHGSSA-N 466.384 2.190 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](CNC(=O)c2ccsc2B2OC(C)(C)C(C)(C)O2)[C@@H](O)C1 2255808597 LVRZBILGKTUUER-ZFWWWQNUSA-N 452.382 2.005 30 10 JEEE CN(CCCNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1)Cc1ccccc1 2255933363 OJVIXUQCOJQCTD-UHFFFAOYSA-N 465.450 2.384 30 10 JEEE CO[C@@H]1CN(C(=O)c2c(C)nsc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1NC(=O)OC(C)(C)C 2267125541 GNASMWKLNDWIQZ-UONOGXRCSA-N 467.397 2.115 30 10 JEEE CC(C)(C)OC(=O)NCC[C@H]1CN(C(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)CCO1 2267496803 DTTZWVFGGCMFDE-INIZCTEOSA-N 450.341 2.335 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C[C@@H]1O 2267525539 GASHVZQQDBGMRI-BMFZPTHFSA-N 466.409 2.441 30 10 JEEE C[C@@H]1CC[C@H](NC(=O)C(F)(F)F)CN1S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2267711404 KRCGVVVKKCESLK-NEPJUHHUSA-N 482.355 2.267 30 10 JEEE CC(C)(C)OC(=O)NCCCOCCNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2267718759 XOHJLWKHLRYIJB-UHFFFAOYSA-N 490.453 2.257 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](C(=O)NCc2sccc2B2OC(C)(C)C(C)(C)O2)C[C@@H](O)C1 2268629096 QUXBTAQTQAXHMW-LSDHHAIUSA-N 466.409 2.281 30 10 JEEE CO[C@@](C)(CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nn(C)c1C)COCc1ccccc1 2281987977 GHSJFMSJRGLNQS-DEOSSOPVSA-N 457.380 2.379 30 10 JEEE Cc1nc(C(=O)NCC[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2282027167 MNIXNLXLPHWMDK-QFIPXVFZSA-N 481.424 2.243 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)n1 2282034472 IMQFXYFCLTWZLH-MUJYYYPQSA-N 460.384 2.095 30 10 JEEE CO[C@@H]1C[C@H](CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)N(C(=O)OC(C)(C)C)C1 2282174754 RZPHPXFMYKEBEG-IAGOWNOFSA-N 461.368 2.135 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)CC12CCC2 2282177558 HNPRCBAUVYCZIM-OAHLLOKOSA-N 458.368 2.438 30 10 JEEE CC(C)(C)OC(=O)NCc1cccnc1NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2282179636 VHMDMMKPXXKTFS-UHFFFAOYSA-N 455.324 2.448 30 10 JEEE CN(C[C@H](O)COCc1ccccc1)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2282322223 IOXDHSMCJKRZES-SFHVURJKSA-N 479.379 2.323 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2CC[C@H]1[C@H]2NC(=O)OC(C)(C)C 2282592019 XXONFZSPFBUAQV-VYDXJSESSA-N 460.384 2.155 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)CC1(C)C 2282649834 DYUAVLLCGJVSNY-HNNXBMFYSA-N 460.384 2.399 30 10 JEEE Cc1cc(C(=O)NC2(CO)CN(C(=O)OC(C)(C)C)C2)cc(C)c1B1OC(C)(C)C(C)(C)O1 2282663024 JNPBSFTYLOCHBX-UHFFFAOYSA-N 460.380 2.314 30 10 JEEE CN(CCOCCNC(=O)OC(C)(C)C)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1O 2282815966 GLQLRZIQIVQSNK-UHFFFAOYSA-N 464.368 2.305 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)Nc2ccc(NC(=O)OC(C)(C)C)nc2)n1 2282845047 MIOFRQCRJFYBHX-UHFFFAOYSA-N 479.368 2.262 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](NC(=O)c3nccnc3B3OC(C)(C)C(C)(C)O3)C[C@H]2C1 2283062682 PMBNQWHXHNKURL-MUJYYYPQSA-N 458.368 2.151 30 10 JEEE COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1NC(=O)[C@@H]1COC[C@H]1NC(=O)OC(C)(C)C 2284035892 GODRVZGFAPIGLE-NVXWUHKLSA-N 462.352 2.473 30 10 JEEE Cc1ccnc(C(=O)N[C@H](C(=O)O)[C@H](C)OCc2ccccc2)c1B1OC(C)(C)C(C)(C)O1 2284430800 ZVNLHEKOUAWXAR-LPHOPBHVSA-N 454.332 2.478 30 10 JEEE CN(C(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1)[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1F 2320552481 CLYNGEGZSRRXCO-KGLIPLIRSA-N 455.361 2.472 30 10 JEEE COC(=O)CSc1nnc([C@@H]2CC(=O)N(Cc3ccccc3)C2)n1N=Cc1cccn1C 2325921248 ARECMZDVJBOJOT-QGZVFWFLSA-N 452.540 2.280 30 10 JEEE COc1ccc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)O)cc1B1OC(C)(C)C(C)(C)O1 2339735021 DAPVYIMZCQVLFP-GUYCJALGSA-N 450.341 2.207 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2CCN(Cc3ccccc3)C[C@@H]2C1 2362344742 WDPQEPNSEZVFBW-WOJBJXKFSA-N 450.392 2.313 30 10 JEEE CN(CCCNC(=O)OC(C)(C)C)CCCNC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2362575509 VCSQYQWYZHBUDE-UHFFFAOYSA-N 482.456 2.409 30 10 JEEE Cc1cc(CNC(=O)[C@@H](NC(=O)OC(C)(C)C)C2COC2)cc(B2OC(C)(C)C(C)(C)O2)c1 2369681759 JMORAFSFPXNTBJ-IBGZPJMESA-N 460.380 2.450 30 10 JEEE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)NCc1sc(Cl)cc1C#CCCO 2369900047 CRLPDJLFBKXRFW-UHFFFAOYSA-N 466.968 2.241 30 10 JEEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(Cl)c(NS(=O)(=O)c3ccc(F)cc3)c2)CC1 32826464 YYALPHKPPAAXOM-UHFFFAOYSA-N 494.976 2.340 30 10 JEEE C=CCn1c(=O)c2ccc(C(=O)N[C@H](C)CC)cc2n2c(=O)n(CC(=O)Nc3ccc(C)cc3)nc12 64581536 UKIWSAMOIICVPS-QGZVFWFLSA-N 488.548 2.472 30 10 JEEE COc1ccc(F)cc1/C(O)=C1/C(=O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1ccccn1 102756387 UFZMIUQOUSPVDK-SADKCHQCSA-N 455.486 2.373 30 10 JEEE CCOC(=O)/C(CCCN(C)C)=N\Nc1ccc(CS(=O)(=O)N(C)C(=O)OCC)cc1 223694108 NXYHTTOTHCGQOS-PYCFMQQDSA-N 456.565 2.278 30 10 JEEE O=C(O)CCC(=O)N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(OC(F)(F)F)cc1 254312866 XYHORIRXSYNFIY-NWDGAFQWSA-N 452.432 2.051 30 10 JEEE CCOc1ccccc1NC(=O)CSc1nnc(NN=Cc2ccccc2[N+](=O)[O-])n1N 1084553129 IZPFZIZRTGOLIR-UHFFFAOYSA-N 456.488 2.476 30 10 JEEE N#Cc1cccc(C2(C(=O)N3CCC(C(=O)Nc4ccc(S(N)(=O)=O)cc4)CC3)CC2)c1 1135645447 BNQBIJMOAAVCJN-UHFFFAOYSA-N 452.536 2.115 30 10 JEEE COC(=O)CS(=O)(=O)Cc1ccc(CNCc2cn(C)nc2-c2ccc(C#N)cc2)cc1 1178151795 DHASUEUEPOXROT-UHFFFAOYSA-N 452.536 2.336 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1(S(C)(=O)=O)CCCC1 1286285085 KEWMXPNQWIMMPR-INIZCTEOSA-N 478.644 2.054 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@H](C)c1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1286390098 WXFYSJNADXCZAM-RXVVDRJESA-N 452.584 2.417 30 10 JEEE C#CCN(c1nnc(COc2ccccc2CC)n1CCN1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 1286394849 KUMVSVFBODXLHD-JOCHJYFZSA-N 483.638 2.308 30 10 JEEE C#CCN(CC#C)c1nnc(C2(c3ccccc3)CCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1286399243 CEMMAYDKCKEMFW-GHVJWSGMSA-N 454.534 2.347 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1Cc1nncn1CC 1286426298 QXGBHGUFHLZPEQ-UHFFFAOYSA-N 469.553 2.188 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 1286549046 VZTHVEIEXIWKQO-VQHPVUNQSA-N 495.568 2.417 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(S(C)(=O)=O)CC1 1286565297 ZZWBSQBMXMWQMQ-YSTOQKLRSA-N 481.663 2.260 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCO1 1286772378 CGQNNKCJYJJOKM-MSOLQXFVSA-N 451.568 2.404 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCO[C@@H](CCC)C1 1286819241 DYECXKYHZFYSDG-INIZCTEOSA-N 472.571 2.200 30 10 JEEE CC(=O)N(C)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)CN2CCOCC2)CC1 1286843837 HQOZDCYDJZLANE-HXUWFJFHSA-N 495.628 2.144 30 10 JEEE CC(=O)N1CCN(CCn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N(C)C[C@@H](C)C#N)CC1 1286888808 GKLLZLFKHHPEAU-ZWKOTPCHSA-N 457.554 2.317 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H]1CCCCS1(=O)=O 1300304405 NOVHCBUTXLBSIO-SJORKVTESA-N 468.583 2.100 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCSC1(C)C)[C@@H]1CCS(=O)(=O)C1 1300479948 VZQFCKZMRNGYNB-IAGOWNOFSA-N 488.639 2.084 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNC(=O)C(C)(C)C 1300648216 AQFZAKUDKJUPGY-SFHVURJKSA-N 475.590 2.121 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCCCO3)n2Cc2cnn(C)c2C)n1 1300680949 HEBFAGPFMUGXRQ-NRFANRHFSA-N 452.563 2.093 30 10 JEEE COc1ccccc1SCc1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(C)n(C)c1=O 1300681987 AILWIJISFTWDGO-GOSISDBHSA-N 466.567 2.363 30 10 JEEE C=C(Br)Cn1c(N2CCO[C@@]3(CCOC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1300862697 CGSNYYLFKFZDGV-OALUTQOASA-N 457.369 2.223 30 10 JEEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ncccc2F)CC1 1301174653 RZNIFBYFNHJVLH-INIZCTEOSA-N 451.572 2.105 30 10 JEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)NC2CCCCC2)CC1 1301258623 WRTNYGLPKVMQQN-HXUWFJFHSA-N 493.674 2.438 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1301492428 IJPNCAXIEUKTQH-WBMJQRKESA-N 453.421 2.132 30 10 JEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCN(c2ccccc2C#N)CC1 1301508161 FOGVJEMSHHWYHN-UHFFFAOYSA-N 462.583 2.134 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1CCN(c2nccnc2C)CC1 1301518927 KXYZBPXZFKKYOW-UHFFFAOYSA-N 494.625 2.306 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc(F)cc1F 1301567978 NBHOJKRTZXANAB-UHFFFAOYSA-N 453.515 2.030 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@H](C)C[C@H]1CC 1301576787 HFABNXANORZELU-SJLPKXTDSA-N 456.576 2.146 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN([C@H](C)c2nccs2)CC1 1301585906 GZBLHHOVONPRJE-MRXNPFEDSA-N 450.634 2.171 30 10 JEEE CC[C@H](C)[C@@](C)(O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1305323956 DRQDVMLGIAEWJO-HJPURHCSSA-N 451.579 2.311 30 10 JEEE C#CCN(CCCN1C(=O)CS/C1=C/C(=O)OC)C1CCN(C(=O)OC(C)(C)C)CC1 1308076149 SRPNPNLURCYNFJ-XDJHFCHBSA-N 451.589 2.301 30 10 JEEE C=CCS(=O)(=O)CCNC(=O)N1CCC[C@H]([C@@H]2C[C@@H](NC(=O)OC(C)(C)C)CCO2)C1 1312353272 FWMKQGRTKMGAAT-BZSNNMDCSA-N 459.609 2.081 30 10 JEEE CCN(CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(C#N)C1)C(=O)OC(C)(C)C 1313801584 HLJVBJVTCQKFEV-IERDGZPVSA-N 483.639 2.275 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H](C)N1CCN(CC)CC1 1358874704 AZRKLKKFRCRWHF-RBUKOAKNSA-N 486.690 2.031 30 10 JEEE C#CCN(c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1358958680 UBPXBHXMZIMRJO-FQEVSTJZSA-N 471.627 2.348 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1CCCc1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 1358966832 XRKPDWPDMKSZFB-NRFANRHFSA-N 482.610 2.159 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1358976694 NKZDRVJZWRRSQX-WOJBJXKFSA-N 487.608 2.153 30 10 JEEE C=C(C)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1359124002 BLOXMOZUCYIHLF-UHFFFAOYSA-N 460.966 2.260 30 10 JEEE C=C(Cn1c(C(=O)NC(CC)CC)nnc1N1CCC(NS(C)(=O)=O)CC1)c1ccccc1 1359137159 GZBYZQQQQMOKLB-UHFFFAOYSA-N 474.631 2.428 30 10 JEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 1359216335 USOYWMHVEHWIJM-ROUUACIJSA-N 498.650 2.071 30 10 JEEE C=CCN(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@]1(O)CCS(=O)(=O)C1 1359234011 ZMCXUBLIXYGQCG-QGZVFWFLSA-N 459.341 2.019 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1359292692 VYNOOAQBYBSEPL-OAHLLOKOSA-N 477.500 2.394 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(CCOc2ccccc2)CC1 1359299787 NKNHWCYLXPJWTJ-NRFANRHFSA-N 454.575 2.023 30 10 JEEE C=CCNC(=O)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1359305674 KGBFPIIFBUCQRW-PBHICJAKSA-N 476.990 2.461 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(N(C)C)cc2C)C1 1359313950 UDWGMCGKXRULSM-XLIONFOSSA-N 462.620 2.092 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CC[C@@](O)(c2ccccc2F)C1 1359334260 YNQJWYGGMCXGQD-QHCPKHFHSA-N 471.558 2.102 30 10 JEEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCC[S@@](=O)Cc3ccccc3)CC2)cc1 1435215467 FNBKACSMZRIPCZ-SSEXGKCCSA-N 459.593 2.024 30 10 JEEE CCOC(=O)Nc1ccc(NC(=O)c2ccccc2S(=O)(=O)N2CCOCC2)cc1C#N 1435624202 DYXVATJHPPQVCZ-UHFFFAOYSA-N 458.496 2.400 30 10 JEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 1446343598 UZDZWFZIOQMXRP-ACRUOGEOSA-N 454.571 2.008 30 10 JEEE C#CCOc1cc(F)ccc1NC(=O)N1CCN(C(=O)OC(C)(C)C)[C@H]2CS(=O)(=O)C[C@H]21 1465783258 YOTYEOOSQGPZNV-SJORKVTESA-N 467.519 2.088 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCCCS(C)(=O)=O 1507520604 PXOLRZOWBNZOMX-INIZCTEOSA-N 480.660 2.219 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1Cc1cnn(CC)c1)[C@@H]1CCS(=O)(=O)C1 1507623927 ZEGURQKVYVYXPD-YLJYHZDGSA-N 486.573 2.449 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCc1ccc(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1507631384 OZNOILLCCLIIKB-GOSISDBHSA-N 469.567 2.160 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnccn2)n1C[C@@H]1CC(=O)N(CCOC)C1 1507699612 HHWLHSBTQUOICD-LJQANCHMSA-N 463.517 2.009 30 10 JEEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2Cc2cccc(OC)c2OC)CC1 1507727832 MEDGWKZAISCSFK-UHFFFAOYSA-N 452.584 2.455 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC2(O)CCC2)CC1 1507734858 AIPKJYGXRUVODJ-UHFFFAOYSA-N 457.962 2.488 30 10 JEEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccc(C)cc1)N1CCOCC1 1507984013 SPHPBXDARASOJX-SFTDATJTSA-N 459.616 2.184 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@]2(OC(C)C)CCOC2)n1CC(=O)N1CCOCC1 1507999741 OPDFQGXZXXVXGA-SANMLTNESA-N 494.596 2.242 30 10 JEEE C=CCN(CC=C)c1nnc(Cc2cn3ccccc3n2)n1C[C@H]1CCCN1S(C)(=O)=O 1508021270 VDUJPVZSVKMJEJ-LJQANCHMSA-N 455.588 2.119 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCCN(c2ccccc2C#N)CC1 1508070554 ACWQQLNSGXROPW-UHFFFAOYSA-N 478.601 2.087 30 10 JEEE C=CCOc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)CCc2cnccn2)cc1 1508100859 PVJFFCGYLZRPCI-IBGZPJMESA-N 468.583 2.262 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CC)[C@H](C)C1 1508149051 OGUXGLXEGWBGFK-MOPGFXCFSA-N 496.678 2.481 30 10 JEEE CC(=O)N1CCCN([C@@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3C[C@H](C)N(C)C)C[C@@H]2C)CC1 1508234270 UWQNEPLOLAGFTK-MZLICYQSSA-N 478.645 2.146 30 10 JEEE CC(C)[C@@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@@H](C#N)C1)N1CCOCC1 1508886089 GDLBIIPREZZKKY-DOIPELPJSA-N 460.623 2.282 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C(F)(F)F)c1 1509949112 CAOHDWHLLKZNTL-YOEHRIQHSA-N 486.520 2.416 30 10 JEEE Cc1ccc([C@H](Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@H](C)CC(N)=O)N2CCOCC2)o1 1510718386 FVRFGKXFYMWWLM-UTKZUKDTSA-N 477.569 2.492 30 10 JEEE C#CCCCCn1c([C@H]2CCCO2)nnc1N1C[C@@H]2[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1539085564 NEGJHEHNSHNUPY-FCGDIQPGSA-N 493.630 2.060 30 10 JEEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(N(C)C(C)=O)CC1 1539126512 WVXYFOPLJYETRI-HXUWFJFHSA-N 474.606 2.447 30 10 JEEE C#CCN(CC#CC)c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1539332418 QKNLJSCEYSAJTB-FPOVZHCZSA-N 486.667 2.301 30 10 JEEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)c1nc(-c2ccccc2)no1 1539344006 VEQOPZKZSAJLRR-HOTGVXAUSA-N 457.560 2.202 30 10 JEEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1539350349 ITRVTZHYSOBCGL-GOSISDBHSA-N 485.532 2.071 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C)n2CCc2ccc(OCC(F)(F)F)nc2)CC1 1539469777 VERNGRPPEYMBAW-UHFFFAOYSA-N 450.465 2.131 30 10 JEEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2nccc(OCC)n2)CC1 1539823645 HBHQVCHZWRWBFQ-WMZOPIPTSA-N 463.970 2.270 30 10 JEEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC=C(C(F)(F)F)CC1 1540870275 IZZKBRBZQCSLPL-UHFFFAOYSA-N 476.507 2.453 30 10 JEEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCN(CCN2[C@H](C)CC[C@H]2C)CC1 1540873905 NQWDLGMIXWLPJF-NHCUHLMSSA-N 457.667 2.308 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CC[C@@H](C(N)=O)C1 1540899162 FPNKINVMPZWMIQ-LSDHHAIUSA-N 463.629 2.044 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCC(NC(=O)C2CC2)CC1 1540904741 OEWBPVYFSZUXFF-UHFFFAOYSA-N 475.590 2.104 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1540907476 YDEHBOGWSRCNBL-HSZRJFAPSA-N 475.615 2.037 30 10 JEEE C=CCC[C@@H](NC(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1)c1ccc(C(F)(F)F)cc1 1546025955 YBAGXITZPLYYQE-OAHLLOKOSA-N 458.462 2.234 30 10 JEEE Cc1c(C#N)c(NC(=O)CN2CCC(N3CCCS3(=O)=O)CC2)n(Cc2ccco2)c1C 1559905513 DQMVCDMKGQDUAG-UHFFFAOYSA-N 459.572 2.056 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2CC2CCCC2)c1 1587683565 KRAOYAFHEVYAOK-INIZCTEOSA-N 458.588 2.135 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H](CC)OC)[C@H]1CCS(=O)(=O)C1 1588040201 JIOLRSSNLOQHSI-DLBZAZTESA-N 462.572 2.014 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@](C)(O)c1ccco1)[C@@H]1CCS(=O)(=O)C1 1588059283 LCWXOAVVGKEJNW-DVECYGJZSA-N 484.578 2.005 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCc2csc(CC)n2)CC1 1588751762 MQVMFJXEFDWHNT-QHCPKHFHSA-N 458.632 2.336 30 10 JEEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2cc(C)ccc2OC(F)F)CC1 1588865338 UHBDEFJOOLVAEI-UHFFFAOYSA-N 458.513 2.114 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCN(C(=O)OC(C)(C)C)C2CC2)CC1 1588929678 FMXRQOMWFTVQIZ-LJQANCHMSA-N 486.617 2.147 30 10 JEEE C=C(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1589722057 OTVWJWFSDXCBRO-UHFFFAOYSA-N 493.568 2.368 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](CN2CCCCCC2)C1 1593636926 USQPNLJHPXWNMG-LEWJYISDSA-N 480.679 2.280 30 10 JEEE C=CC1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCCN2CCC[C@H]2C(=O)N(C)C)CC1 1594202469 QWGAVGNLIQQEJS-SQJMNOBHSA-N 474.650 2.275 30 10 JEEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1ccc(O)cc1 1594813194 QGLWZXCCPFENJI-RTWAWAEBSA-N 491.614 2.251 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)c1cc(F)ccc1F 1595796729 BXCBDZWLPMVLOB-CABCVRRESA-N 488.582 2.257 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(CC(C)C)CC1 1595805739 SWQMIJAMFUPGAU-OAQYLSRUSA-N 475.615 2.169 30 10 JEEE COc1ccccc1[C@@H](C)N(C)C(=O)CN1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1652861424 BJBYILWJIPAAFQ-GOSISDBHSA-N 456.568 2.093 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1Cc1nnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1689997033 UOBFRPJEWQFBIL-GOSISDBHSA-N 486.623 2.309 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1C[C@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C 1689998233 GJLVBWRENKNYSC-OALUTQOASA-N 454.575 2.232 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3nn(C(C)C)c(=O)c4ccccc34)n2C[C@H](C)OC)CC1 1690143979 IIJVPCPZTRGOIJ-SFHVURJKSA-N 491.596 2.237 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1690278958 ZBBFZLZHDVPJDN-GOSISDBHSA-N 473.559 2.041 30 10 JEEE C=C(Cl)Cn1c(COc2ccccc2OC)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1690354011 BFYNJYSWQQHLAM-LJQANCHMSA-N 461.950 2.446 30 10 JEEE C=CC[C@@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cnn(C)c1)c1ccccc1 1690445490 YGOMSHYKXDCROP-FCHUYYIVSA-N 499.641 2.341 30 10 JEEE C=CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1690449231 AFQQXTOVFQBKGZ-UHFFFAOYSA-N 481.648 2.048 30 10 JEEE C=CCCOCCn1c([C@H]2CCCOC2)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1690509165 YNGIUFBPHCOYLR-IBGZPJMESA-N 493.605 2.415 30 10 JEEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)CNC(=O)OC(C)(C)C)C1CC1 1690545682 WPYBYTNJBJCBOV-HOTGVXAUSA-N 453.609 2.496 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1690663274 RGGUVEQSYLVGLZ-DOTOQJQBSA-N 477.656 2.447 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCCN(C(=O)c2cccc(Cl)c2)CC1 1690670639 GHARUCZEVPYQNP-GOSISDBHSA-N 472.977 2.090 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCCN(c2nccs2)CC1 1690727037 SIEUYTRLXSHSCW-UHFFFAOYSA-N 473.628 2.038 30 10 JEEE CC(=O)N1CCN([C@@H]2CN(c3nnc(COc4ccc(C#N)cc4)n3CC(C)C)C[C@@H]2C)CC1 1690866274 MOJUGFHFBBLSTG-WMZHIEFXSA-N 465.602 2.374 30 10 JEEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccccc2Cl)C1 1692851436 FIEGRLSNSFUHJF-WIYYLYMNSA-N 479.006 2.443 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(COC)CCOCC1 1705494550 BVYLUMZPGNVEQY-MOPGFXCFSA-N 477.606 2.488 30 10 JEEE C#CCCCCn1c(-c2cnccn2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1705513854 AUUCWWGOIBGAHT-UHFFFAOYSA-N 450.591 2.110 30 10 JEEE C#CCN(c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@H]1CCC(=O)N1)[C@@H]1CCS(=O)(=O)C1 1705562409 BNVVSJBCHJMJKQ-NHCUHLMSSA-N 499.637 2.275 30 10 JEEE C#CCN(CC#CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCN(C)CCOC 1705598202 DHBHSIIAJSVBMI-UHFFFAOYSA-N 472.634 2.434 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCCC(F)(F)F)CC1 1705652698 JMPKJGZCBWXJEI-IRXDYDNUSA-N 457.497 2.310 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1705708443 CJZMYAUPIJGLRQ-LTMIRXACSA-N 450.543 2.377 30 10 JEEE C=C(C)Cn1c(-c2ccc(Br)cc2)nnc1N1CCN(CC(=O)NCCOC)CC1 1705722729 XCWYAVQVYMHYPF-UHFFFAOYSA-N 477.407 2.168 30 10 JEEE C=CC1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCOCCS(C)(=O)=O)CC1 1705777307 DTBLCFPDKILARH-UHFFFAOYSA-N 472.409 2.499 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC(C)=C(Br)C1 1705931798 AYBILOUKCLEBOK-UHFFFAOYSA-N 455.382 2.158 30 10 JEEE CC(=O)NC1CCC(N(C)c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2COCCO2)CC1 1706017349 FTXZGJSEUDYIKU-QETWGEEDSA-N 468.558 2.028 30 10 JEEE CC(C)OC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(C(N)=O)CCOCC2)CC1 1706686087 HRWIPOVKLFJCKA-UHFFFAOYSA-N 452.559 2.493 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2CCN2CCOC(C)(C)C2)c1 1722307773 WJENCXBFSDCIOB-UHFFFAOYSA-N 487.608 2.431 30 10 JEEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC(=O)NCc1ccco1 1722350202 PVGDTMIBBAWLKE-UHFFFAOYSA-N 459.510 2.215 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 1722381137 ILNUFNDWJUHYKL-ZWKOTPCHSA-N 452.559 2.092 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2Cc2ccc(CS(C)(=O)=O)cc2)CC1 1722442907 HXNSTBFLNUZNNA-UHFFFAOYSA-N 495.605 2.405 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(CCc2ccc(OC)cc2)n1CCC(=O)N1CCOCC1 1722474163 IEKSOSXVZRNNNC-RUZDIDTESA-N 451.571 2.313 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCN(C(=O)c2ccccn2)CC1 1722492777 URVBZDAUWGEZSV-VWPQPMDRSA-N 484.601 2.341 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@]1(OC)CCOC1 1722654544 PRLJCOFVUAPEBL-CVDCTZTESA-N 476.599 2.187 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H]3CCCCO3)nnc2N2CCN(S(C)(=O)=O)CC2)cc1 1722705733 IENGFOGLIKOYJE-FQEVSTJZSA-N 461.588 2.214 30 10 JEEE C=CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1722734849 KJVGLDUFLRKTCY-IBGZPJMESA-N 491.683 2.426 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCO[C@H](COC)C2)nnc1C1(c2ccccc2)CCC1 1722736837 KJESKFYXDHKMHX-FQEVSTJZSA-N 460.600 2.201 30 10 JEEE CC(C)N(CCn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)C(C)C 1723541365 DIYHZZDAUDXBAW-HXUWFJFHSA-N 474.631 2.471 30 10 JEEE COCCN1C[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2C[C@@H](C)O[C@@H](C(F)(F)F)C2)CC1=O 1730780328 CEBVIIXGCFHYAX-SZVBFZGTSA-N 492.502 2.468 30 10 JEEE C#CCN(c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 1740618055 BJXCWEITMAJZJC-HXUWFJFHSA-N 471.627 2.394 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@H]1CSCCS1)[C@@H]1CCS(=O)(=O)C1 1740619138 MMQQUHRBZZFBLI-MJGOQNOKSA-N 478.665 2.429 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@]1(C)COCCO1)[C@@H]1CCS(=O)(=O)C1 1740620173 OKZUHJWODMLCPW-VGSWGCGISA-N 495.001 2.039 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1Cc1ccc(F)cn1)[C@@H]1CCS(=O)(=O)C1 1740621180 UIYITVYMYFIGRZ-LJQANCHMSA-N 485.541 2.171 30 10 JEEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCN1CCOCC1(C)C 1740670066 LLEDZBIYBVUOIE-UHFFFAOYSA-N 452.607 2.022 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccccc3Br)n2C[C@@]2(O)CCSC2)CC1 1740694126 ZFRPJRAUELKTMY-FQEVSTJZSA-N 462.417 2.331 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H](C)N(C)c2ccccc2)CC1 1740702952 BNPKIIFTJVDTDX-ZBLYBZFDSA-N 494.640 2.421 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2CCN2CCCC2)CC1 1740707498 FAUPMXQBBLGIAO-UHFFFAOYSA-N 454.550 2.058 30 10 JEEE C#CCSCCn1c(CN2CCCC2=O)nnc1N(C)CC(=O)Nc1cccc(C)c1C 1740719279 CKFJQLVLZSRYTI-UHFFFAOYSA-N 454.600 2.459 30 10 JEEE C=C(Br)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1740746223 OAVQIISGBDLCDT-UHFFFAOYSA-N 493.381 2.090 30 10 JEEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(CC)Cc1nc(O)c2sccc2n1 1740777661 VVMVWOXZMVACKQ-GFCCVEGCSA-N 451.578 2.201 30 10 JEEE C=CCCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1740860458 FRZYEQDUMUCALW-UHFFFAOYSA-N 484.601 2.492 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1c[nH]c2cc(F)ccc12 1740900689 WLGLFXZMAPOWFI-IBGZPJMESA-N 462.551 2.096 30 10 JEEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1740961834 ZLRMGGWEUPNYPC-MRXNPFEDSA-N 460.529 2.190 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1740963933 BFBRTEWPNNNIMR-KRWDZBQOSA-N 460.966 2.165 30 10 JEEE CNC(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(c2ccccc2C#N)CC1 1748268788 GWAWXMTYOPVWAQ-UHFFFAOYSA-N 483.374 2.370 30 10 JEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CC1(CCOCC)CCCC1)[C@@H]1CCS(=O)(=O)C1 1748801507 BGSGOBCODKOYSY-HXUWFJFHSA-N 491.658 2.128 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCc1ccc(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1748825226 WPKSWCMQGLXXLT-TZIWHRDSSA-N 488.610 2.406 30 10 JEEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC2(O)CCN(C(C)C)CC2)CC1 1748994732 PDMGIULVBVUZHV-UHFFFAOYSA-N 480.657 2.464 30 10 JEEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC2(CC1)COC(=O)N2 1749026571 NCXKHCSKLSMHOS-UHFFFAOYSA-N 457.556 2.408 30 10 JEEE C#CCSCCn1c(Cc2ccccn2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1749039811 BZFXKTISAQIJFA-NFBKMPQASA-N 481.670 2.009 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccc2OC)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1749123115 AXXFFINRIPHGMJ-BBTUJRGHSA-N 475.615 2.405 30 10 JEEE C=C(C)Cn1c(N2CCN([C@@H](C)C(=O)NC3CCCC3)CC2)nnc1[C@@]1(OCC)CCOC1 1749207040 ARVIISIGZPFHFS-YADARESESA-N 460.623 2.076 30 10 JEEE C=CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@]2(CNC(=O)C2)C1 1749430088 IXVCIRBDPVBRRN-HXOBKFHXSA-N 460.579 2.269 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1749659474 DORGWYWCZGHWEN-QGZVFWFLSA-N 456.547 2.359 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCOCC1 1749727551 XGYWNIFDGCRTPJ-UHFFFAOYSA-N 450.561 2.178 30 10 JEEE C=CCSCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1749744637 MTKBLURKNNEWKI-MOPGFXCFSA-N 484.626 2.101 30 10 JEEE CC(=O)NC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCC[C@H]2CCCCO2)CCO1 1750021303 BYRAKXPPGWUZIV-FYYLOGMGSA-N 482.585 2.419 30 10 JEEE Cc1cccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@](C)(C#N)C2)c1 1751636683 CTHPGAYQYMUJDK-SIKLNZKXSA-N 458.588 2.098 30 10 JEEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1CCS(=O)(=O)NC(C)C 1760122329 JQSIPGQPWVLXRH-HNNXBMFYSA-N 484.420 2.405 30 10 JEEE C#CCN(c1nnc([C@H]2CCCCO2)n1CC1(O)CCCCCC1)[C@H]1CCS(=O)(=O)C1 1760186419 CMCIKRUAJFSBLH-RBUKOAKNSA-N 450.605 2.232 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CCc1cc(C)ccc1OC)[C@H]1CCS(=O)(=O)C1 1760190405 QEHULAGRKPQVNM-QFIPXVFZSA-N 479.606 2.450 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)c(Br)c1 1760232881 FKSOEOJUHPISNP-HNNXBMFYSA-N 467.389 2.459 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC(=O)NC2CCCCC2)CC1 1760258268 JNELKONZJZKGGH-UHFFFAOYSA-N 466.586 2.166 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2cccc(OC)c2OC)CC1 1760269421 HZQWRSSAGNMZRI-HXUWFJFHSA-N 467.570 2.203 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1760338204 ZPPNWERXPXTDMT-IAGOWNOFSA-N 479.569 2.236 30 10 JEEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cnc(C)s1 1760428557 YOSXVSNTIAJUGT-QGZVFWFLSA-N 454.622 2.369 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](Oc2ccccc2Cl)C1 1760514692 LDNWMMCMEATUTK-INIZCTEOSA-N 458.950 2.127 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(Cc2cnc(C)s2)CC1 1760519140 STBCNXUAINMQFU-UHFFFAOYSA-N 462.583 2.206 30 10 JEEE C=CCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCN(CC(C)C)C(=O)C2)cc1 1760529819 LIJVXSLBHMHXFX-HXUWFJFHSA-N 452.559 2.147 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(CC(N)=O)CC1 1760551964 XYWBODCGUAJILD-UHFFFAOYSA-N 469.970 2.430 30 10 JEEE CCCC(O)(CCC)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1765579939 ADMICORZQOVSLX-UHFFFAOYSA-N 497.648 2.086 30 10 JEEE N#C[C@@H]1CN(c2nnc(-c3ccc(Br)cc3Cl)n2CCn2cncn2)CCO1 1770746279 BVWLDEWTUAVDPP-CYBMUJFWSA-N 463.727 2.381 30 10 JEEE COCC[C@](C)(O)Cn1c(CC(C)(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1770983914 CXXLZIMQNMDSNK-HXOBKFHXSA-N 456.595 2.031 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@@H]2c2ccccc2[N+](=O)[O-])cc1OC 1862574161 GVXFDEBEAUFQHJ-HXUWFJFHSA-N 469.450 2.326 30 10 JEEE C=CCN(CC=C)c1nc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)n([C@H]2CCS(=O)(=O)C2)n1 1870002623 RQESSKAIVFFQLW-BLGFXRMMSA-N 472.527 2.376 30 10 JEEE CCCCOc1ccc(-n2nnc(C#N)c2NC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc1 1870155568 TYBNBWNMGYXKRC-UHFFFAOYSA-N 489.448 2.461 30 10 JEEE C=CCn1c(C(=O)NC[C@H](c2ccc(O)cc2)N(C)C)cc2c(N(CC)CCO)ncnc21 1873595737 PHFUMVILQVIZOF-OAQYLSRUSA-N 452.559 2.174 30 10 JEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N(CC(N)=O)Cc1ccccc1 2247875847 DFPLQEANEXWTCF-UHFFFAOYSA-N 450.391 2.032 30 10 JEEE Cc1c(C(=O)N(C)CCN(C)C(=O)OCc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2255626497 GSKKQGBBDLJHES-UHFFFAOYSA-N 470.379 2.368 30 10 JEEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)CC1 2255795228 FWZSHQVUHLBENV-UHFFFAOYSA-N 472.438 2.430 30 10 JEEE C[C@@H](CNS(=O)(=O)Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1)NC(=O)OC(C)(C)C 2255802820 FLJCQVWWNPURAW-HNNXBMFYSA-N 454.398 2.318 30 10 JEEE Cc1sc(CNC(=O)[C@@H](CO)NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1C 2256615261 SXIBHHWGPQBQEO-CQSZACIVSA-N 454.398 2.166 30 10 JEEE CN(CC1CN(C(=O)OC(C)(C)C)C1)S(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2267375273 FFHNOFROSVLNLG-UHFFFAOYSA-N 466.409 2.473 30 10 JEEE Cn1nc(C(=O)N[C@H]2C[C@@H](CNC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2267499957 BAIBCZNMBJUSQQ-BETUJISGSA-N 468.791 2.406 30 10 JEEE CN(Cc1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(=O)[C@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C 2268658686 UXDLOMLVOLUELY-NVXWUHKLSA-N 466.409 2.376 30 10 JEEE Cn1ncc(C(=O)N[C@@]23CCC[C@@H]2N(C(=O)OC(C)(C)C)CC3)c1B1OC(C)(C)C(C)(C)O1 2281817393 LHZKTEZOACSCOY-QMHKHESXSA-N 460.384 2.381 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C)n1 2281995224 ZQKYEPDFEPXBSA-HOTGVXAUSA-N 462.400 2.435 30 10 JEEE CO[C@H]1C[C@H](CNC(=O)OC(C)(C)C)N(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cn2C)C1 2282106322 WMWRIVHUVXOUTN-SJORKVTESA-N 463.384 2.079 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282354624 TUWPJAVREBBCNI-CALCHBBNSA-N 479.408 2.153 30 10 JEEE Cc1c(C(=O)N2C[C@H](CNC(=O)OC(C)(C)C)C[C@H]2C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282552709 MHKMEAFPHAAHLO-ZBFHGGJFSA-N 462.400 2.403 30 10 JEEE C[C@@H]1CN(C(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1CCNC(=O)OC(C)(C)C 2282584055 BAXXJJKVISLEPY-CVEARBPZSA-N 462.400 2.342 30 10 JEEE Cc1ccc(C(=O)NC2(C(=O)O)CN(C(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2282694406 SUZCIQIUTAMXMN-UHFFFAOYSA-N 460.336 2.098 30 10 JEEE COC(=O)[C@H](CC(=O)N(C)Cc1sccc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2283926528 PCJCBASFIQAZHR-HNNXBMFYSA-N 482.408 2.462 30 10 JEEE Cn1cc([C@@H](NC(=O)OC(C)(C)C)C(=O)NCc2cc(B3OC(C)(C)C(C)(C)O3)cs2)nn1 2283967358 BVHWJZQODBOXKE-MRXNPFEDSA-N 477.396 2.058 30 10 JEEE CC(C)(C)OC(=O)N[C@H](C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F)[C@H]1CCOC1 2284049007 QYMQAQBGHOYEJF-BBRMVZONSA-N 465.331 2.388 30 10 JEEE CN(Cc1ccccc1)C[C@@H](NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Cl)C(=O)O 2284434222 WPZLQDYQQUVOCM-GOSISDBHSA-N 473.766 2.349 30 10 JEEE CC(=NNc1nc2c(c(O)nc(=O)n2C)n1C[C@@H](O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 2327754007 MOGDANYODZJJJH-QGZVFWFLSA-N 463.454 2.314 30 10 JEEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CCNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2362346567 TZFGGTCHSPHNIM-HZPDHXFCSA-N 462.400 2.342 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)O)N(c2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)C1 2371995893 HNDCOVZWNQQHTG-XJKSGUPXSA-N 465.331 2.467 30 10 JEEE CCOc1ccc(NC(=O)CSc2nnc(N/N=C/c3cc(OC)ccc3O)n2N)cc1 20527441 HONVOUOYXATNGU-SSDVNMTOSA-N 457.516 2.282 30 10 JEEE Cc1sc(-c2noc(C(=O)N3CCOCC3)n2)cc1S(=O)(=O)Nc1ccc(C#N)cc1 65097729 CPRXRDIPKHRTTH-UHFFFAOYSA-N 459.509 2.251 30 10 JEEE C=CCNC(=O)CN1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccc(OC)cc2)CC1 512713855 IGTVHDFXLJNZCA-UHFFFAOYSA-N 454.483 2.456 30 10 JEEE Cc1cc(C)c(C#N)c(SC2=C(N(C)CCO)C(=O)N(c3ccc4c(c3)OCCO4)C2=O)n1 526694182 JLOHEWLGBFNGAE-UHFFFAOYSA-N 466.519 2.143 30 10 JEEE C=CCCN(CCCN1CCOCC1)S(=O)(=O)c1cc(N2CCCC2=O)ccc1OC 586152092 XBQVVFMOXXOJOK-UHFFFAOYSA-N 451.589 2.111 30 10 JEEE COc1cc([C@@H](C#N)NC(=O)CN(C)S(=O)(=O)c2ccc(C)c(C)c2)cc(OC)c1OC 609008201 SWJNFJPPEWODRB-GOSISDBHSA-N 461.540 2.331 30 10 JEEE C#CCN(C(=O)C1CCN(C(=O)c2ccc(OC)c3ccccc23)CC1)[C@@H]1CCS(=O)(=O)C1 729331779 HCUGQKBNAFECFV-LJQANCHMSA-N 468.575 2.350 30 10 JEEE CCCC[C@@H](NC(=O)[C@H](C)NC(=O)C(C)(C)C)C(=O)N1CCN(c2ccccc2C#N)CC1 1136537270 BOJJHYSZPXPGEO-AZUAARDMSA-N 455.603 2.433 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(CS(C)(=O)=O)cc1 1286422059 IYKLUQLKENRGBB-RUZDIDTESA-N 484.622 2.375 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC(C)(C)OCC)CC1 1286469451 GCIYYXRAMPQBKH-UHFFFAOYSA-N 458.994 2.432 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@](C)(O)C2CCCCC2)CC1 1286469767 KUNJZYSCAVJAEO-DEOSSOPVSA-N 451.575 2.012 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2CC2(C(=O)N(C)C)CCCC2)CC1 1286483920 DGVYQCUTPHMJDK-UHFFFAOYSA-N 468.577 2.400 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4ccccc4n3)n2C[C@H](COC)OC)CC1 1286489178 IIVKXUBHFSPCNH-HXUWFJFHSA-N 462.554 2.121 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2nc(C)cs2)CC1 1286548499 SUXGMWHLSXMQFV-QZTJIDSGSA-N 459.620 2.489 30 10 JEEE C=CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1286685427 RJJCHENMKQELED-KRWDZBQOSA-N 481.644 2.175 30 10 JEEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)c2cccc(F)c2)CC1 1286709699 BJEASPHYELCSOH-FQEVSTJZSA-N 470.549 2.314 30 10 JEEE C=CCN(CCc1ccccc1)c1nnc(Cc2ccccn2)n1C[C@]1(O)CCS(=O)(=O)C1 1286763043 RZEZZIZBOYBZDM-XMMPIXPASA-N 467.595 2.049 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CCN(CC(C)C)C(=O)C1 1286780227 RJODVEQXHHDVBG-UHFFFAOYSA-N 461.570 2.409 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2Cc2nncn2CC)C1 1286802407 AXQFOWLVUSFTIO-HNNXBMFYSA-N 461.368 2.487 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1286805035 OTDYDYUTMSAGBS-UYAOXDASSA-N 461.588 2.159 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)c2ccc(C)cc2)CC1 1286823070 RAUAOBNSZGZVTP-UHFFFAOYSA-N 494.621 2.136 30 10 JEEE CC(C)NC(=O)CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCO[C@H](C#N)C1 1288199294 AQOGUORHARVDMV-QZTJIDSGSA-N 475.594 2.036 30 10 JEEE C[C@@H]1CCCN1CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1291136676 BLVDCPXTNDASPZ-CTNGQTDRSA-N 485.658 2.409 30 10 JEEE CCN1CCN(C[C@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(C(=O)NC)CC2)CC1 1296182913 AWQQQGWYQADXLK-FQEVSTJZSA-N 478.645 2.053 30 10 JEEE CCO[C@@]1(c2nnc(N(CCC#N)CC3CC3)n2C[C@H]2CCCCS2(=O)=O)CCOC1 1296568884 HSLICZBWWDWABN-NQIIRXRSSA-N 451.593 2.028 30 10 JEEE COC(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)N2CCOCC2)C1 1299349853 FYIPWBZDQIUCOS-FQEVSTJZSA-N 482.585 2.229 30 10 JEEE C#CCN(c1nnc(CSc2ccc(Cl)cc2)n1CC(=O)N(C)CC)[C@H]1CCS(=O)(=O)C1 1300503495 CWZXASSGJBWGGO-KRWDZBQOSA-N 496.058 2.329 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CCCOC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1300503790 FPVMSFQDISNGBU-KRWDZBQOSA-N 497.499 2.282 30 10 JEEE C#CCN1CCN(c2nnc(-c3nn(C(C)C)c(=O)c4ccccc34)n2CCCCOC)CC1 1300698571 VGKPXQCQPULYRL-UHFFFAOYSA-N 463.586 2.418 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(OC)c(F)c2)CC1 1300727172 UUAREQGASRUXDQ-IBGZPJMESA-N 455.534 2.334 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCc2ccc(F)cc2)CC1 1300733436 VRNAJVJQXLIYOC-UNMCSNQZSA-N 469.561 2.350 30 10 JEEE C=C(Br)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCOCC1 1300850185 XIRLOVRPXDRKFL-AWEZNQCLSA-N 458.357 2.332 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@]2(N(C)C)CCC[C@@H](C)C2)CC1 1301086505 KDXMKCYVQYSPLC-ZRCGQRJVSA-N 480.679 2.278 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC(Oc2cncc(Cl)n2)CC1 1301491252 NDEGQMVEACWZOM-UHFFFAOYSA-N 454.922 2.134 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1 1301579873 ZTHJQNHHCICSHK-QFIPXVFZSA-N 457.531 2.178 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCO[C@H](C(C)(C)C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1301596708 WSYLAIHNDZJBQY-PGRDOPGGSA-N 470.636 2.171 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@H]1CCCO[C@@H]1C(C)C 1303402130 FDSRYWBNLSZKPS-IFMALSPDSA-N 480.617 2.461 30 10 JEEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)C2CC2)C[C@@H](C(F)(F)F)O1 1305204548 AYTMLXDFCPBABQ-KSSFIOAISA-N 478.475 2.411 30 10 JEEE CN(C)C(=O)[C@@H]1CCCN1CCCn1c(Cc2cccnc2)nnc1N1CCC(CC#N)CC1 1314628201 HEPXNVWJICSSPN-QFIPXVFZSA-N 464.618 2.337 30 10 JEEE COC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCCCC2=O)CC1 1315129351 BWIBQLSHOZARPH-UHFFFAOYSA-N 481.557 2.020 30 10 JEEE C#CCCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC(NS(C)(=O)=O)CC1 1358925124 UKLYBCYWRLWXEK-UHFFFAOYSA-N 461.588 2.284 30 10 JEEE C#CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1358954299 CFDPPOAZFHELCF-VQTJNVASSA-N 487.649 2.362 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H](Cc1ccccc1)OC)[C@@H]1CCS(=O)(=O)C1 1358962399 PDHIUJVBLRYSJZ-VSKRKVRLSA-N 472.611 2.404 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCCN1CCC[C@@H]1CO 1358989660 KYUHFDSCHLMONQ-JOCHJYFZSA-N 463.582 2.416 30 10 JEEE C#CCN(CCOC)c1nnc(Cc2ccccc2F)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1359025474 PQQXULVPRMWNKI-IFMALSPDSA-N 489.617 2.298 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H](C)N(C)Cc2ccccc2)CC1 1359040060 GOSXUTSBUDMJMA-XWGVYQGASA-N 466.630 2.278 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2cccc(C(F)(F)F)n2)CC1 1359044477 HCUZBCOTUWZZBC-MRXNPFEDSA-N 462.476 2.210 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCC(=O)N[C@@H](C)CC)CC1 1359045412 GINWXUQKQGUQJL-AVRDEDQJSA-N 494.596 2.061 30 10 JEEE C=CCC(C)(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1359184136 CXXXDBNHLCWDHU-IEBWSBKVSA-N 476.599 2.311 30 10 JEEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1359301207 UZWPGOITEOLRRK-QUCCMNQESA-N 487.649 2.368 30 10 JEEE COC(=O)[C@@H]1CN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C[C@H]1c1ccc(O)cc1 1469727443 AROLGJIBOXVUMU-KANFNMMFSA-N 458.515 2.049 30 10 JEEE CNS(=O)(=O)CCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CC[C@](F)(C#N)C1 1503830337 IFAISKNNLYRIDB-YJYMSZOUSA-N 452.581 2.123 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1cccnc1N1CCOCC1 1507522427 VSRRKPWCFPUFPL-GOSISDBHSA-N 480.594 2.086 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2C[C@H](C)N2CCOCC2)c1 1507549775 OHGLXZFLIREGJL-IBGZPJMESA-N 461.570 2.061 30 10 JEEE C#CCCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1507562207 IAWXCEKZDBBMTK-GOSISDBHSA-N 473.599 2.285 30 10 JEEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CCc1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 1507627249 RNMMRFVQBGSCJY-QPPBQGQZSA-N 472.611 2.108 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1Cc1cnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1507629343 SKKCXXXBYKMAKL-GOSISDBHSA-N 452.565 2.257 30 10 JEEE C#CCN(c1nnc(Cc2c[nH]c3ccccc23)n1CCC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1507633337 CUSZZXDHHQXBQF-SFHVURJKSA-N 455.584 2.138 30 10 JEEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCNC(=O)OC(C)(C)C 1507657339 PUJDNQZSKQFLIT-UHFFFAOYSA-N 491.640 2.240 30 10 JEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1Cc1cccc(OC)c1OC 1507710601 RJWDYHPCNKPALD-UHFFFAOYSA-N 453.499 2.157 30 10 JEEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CC(=O)N(c2ccccc2)C1 1507713680 SNNRQKGQUIVHCK-OAQYLSRUSA-N 461.570 2.279 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2cccc(Br)n2)CC1 1507719521 NZGGRHBPBVUPBH-JOCHJYFZSA-N 489.418 2.280 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](c2ccsc2)N(C)C)CC1 1507741111 UVONSWJYYCIXMI-QFIPXVFZSA-N 494.669 2.470 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2CC2(O)CCCC2)CC1 1507741187 WVZSRJFMKWERLF-UHFFFAOYSA-N 455.534 2.267 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccn2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1507801380 UTIQCNROQMXQTK-YLJYHZDGSA-N 460.604 2.229 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H](C)[C@@H]1C 1508134632 HECMSPYFFFNXTG-HOTGVXAUSA-N 452.602 2.184 30 10 JEEE C/C(=C\c1ccccc1)CN(C)c1nnc(CN2CCCC2=O)n1CCN/C(O)=C1\N=CC=CC1=O 1508169737 MCVKBJWFQKUQAD-UWVAOJKCSA-N 489.580 2.467 30 10 JEEE N#Cc1ccccc1COc1cccc(C(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)c1 1531641105 HKPKXSFMHXOOCY-JOCHJYFZSA-N 457.552 2.356 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@H]2CCO[C@@H](C)C2)c1 1539038377 OFUKKRKYXJDMMK-HKUYNNGSSA-N 452.559 2.288 30 10 JEEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1539072906 YQJGBMWSGKOFOM-DLBZAZTESA-N 451.593 2.087 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccc(OC)cc1C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1539223058 ZBEZUYUXDLCGQK-IRXDYDNUSA-N 498.527 2.484 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc(N(C)C)nc1 1539311906 BPHYNRGZTLZPGD-UHFFFAOYSA-N 476.610 2.210 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1cccc(Cl)c1 1539324836 XZCMENLSQYSBKS-HTAPYJJXSA-N 460.987 2.204 30 10 JEEE C#CCN(CCOC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCc1cn[nH]c1 1539416684 RNSLPUASSUMHDE-UHFFFAOYSA-N 457.579 2.444 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(Br)c3)n2CCc2ccn(C)n2)CC1 1539434576 NRNFLGYTISAMPZ-UHFFFAOYSA-N 454.376 2.439 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCOc2cccc(Cl)c2)CC1 1539462394 FSADHRBUWHKVGE-RXVVDRJESA-N 459.978 2.490 30 10 JEEE C#CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1539505688 CQERQRAFAPPTFZ-QUCCMNQESA-N 499.637 2.450 30 10 JEEE C=C(C)COCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1539734830 AMTJBJPRHWIZLG-UHFFFAOYSA-N 458.588 2.318 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1540867502 YJTNRBLPXBBWEL-INIZCTEOSA-N 487.486 2.300 30 10 JEEE CC(C)(C)OC(=O)N1CCC[C@@H](c2nnc(N3CC[C@@](F)(C#N)C3)n2CCNC(=O)C2CC2)C1 1541201134 ANTSSAHOTPEKCF-UZUQRXQVSA-N 475.569 2.361 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)c1ccc(F)cc1 1541803176 DNODCMFTGRGNEJ-LPHOPBHVSA-N 478.594 2.466 30 10 JEEE C#CCSCCNC(=O)[C@@H](CC(N)=O)NC(=O)OCC1c2ccccc2-c2ccccc21 1544132659 AHXBNGMTEYHZNU-OAQYLSRUSA-N 451.548 2.252 30 10 JEEE CCN(CC)C(=O)CN1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCO2)CC1 1547414361 AEGPBSKVOKZFIT-HSZRJFAPSA-N 495.628 2.288 30 10 JEEE COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCO[C@@H]2C(C)C)CC1 1555200775 GQZGAINNGBCZHK-IFMALSPDSA-N 452.559 2.173 30 10 JEEE C#CCCCn1c(Cn2ccc3ccccc32)nnc1N1CCC(CNS(C)(=O)=O)CC1 1587879024 NFUJJPDESJDEBW-UHFFFAOYSA-N 454.600 2.460 30 10 JEEE C#CCN(c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(C)CC1)[C@H]1CCS(=O)(=O)C1 1588058867 DSTXMBDIYPDOHV-ZWKOTPCHSA-N 493.630 2.013 30 10 JEEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@H](OC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1588070093 WKQUUONTNHNSJP-XLIONFOSSA-N 464.563 2.294 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1Cc1cc(F)ccc1N1CCOCC1 1588079616 ZYKQGDRMRQNTHL-UHFFFAOYSA-N 466.561 2.293 30 10 JEEE C=C(Cl)C[C@@H](NC(=O)[C@@H]1CC(=O)N(c2cc(OC)c(OC)c(OC)c2)C1)C(=O)OCC 1588121540 GIBZSDXVEXIUKT-UKRRQHHQSA-N 454.907 2.256 30 10 JEEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1CC1(NC(=O)OC(C)(C)C)COC1 1588251546 QYRNKNNDVZPDAF-UHFFFAOYSA-N 498.609 2.026 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@H](F)COC)CC1 1588967847 BZAVFPJLQYVVED-MOPGFXCFSA-N 492.596 2.300 30 10 JEEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1589088566 AGXJOEUIMORSSX-LJQANCHMSA-N 472.615 2.360 30 10 JEEE C=C(C)COCCn1c(Cn2ccc3ccccc32)nnc1N1CCN(CC(=O)N(C)C)CC1 1593764058 VZDLCFXFVKTAIF-UHFFFAOYSA-N 465.602 2.084 30 10 JEEE C=CCCCn1c([C@@H]2CCOC2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1594733883 ZQVFVXDIOCITPY-MRXNPFEDSA-N 452.606 2.024 30 10 JEEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N1CCOCC1 1595116116 PLJRPJUJFJUNJU-CTNGQTDRSA-N 459.616 2.094 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@@H]([C@@H]3CCCO3)C2)cc1 1595607232 BTGYLQINNUHCHJ-LEWJYISDSA-N 455.559 2.414 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC(=O)NCC(F)(F)F)C1 1595680172 HOGLGCRBIYBVIE-LBPRGKRZSA-N 477.285 2.496 30 10 JEEE CC(C)CCN(CCC#N)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1606951290 AHSNOJOYNSVONU-QFIPXVFZSA-N 456.572 2.133 30 10 JEEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(C(N)=O)CCOCC2)C[C@H](C(F)(F)F)O1 1612908782 AYKJVRQNUVRVIY-RHSMWYFYSA-N 478.475 2.255 30 10 JEEE C=CCN1CCC(NC(=O)N2CCN(S(=O)(=O)c3cc(Cl)ccc3OC)CC2)CC1 1631233250 XEOSAIZEPOMUBZ-UHFFFAOYSA-N 456.996 2.015 30 10 JEEE Cc1c(C#N)c(NC(=O)CN2CC[S@@](=O)C[C@@H]2c2cnn(C)c2)n(-c2ccccc2)c1C 1645495465 BBCCZRJCJICZIW-XFSFLGPDSA-N 450.568 2.443 30 10 JEEE C#Cc1ccc(NC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c2ccccc2C(F)(F)F)cc1 1648498982 ZSWDRUGESRKTDV-INIZCTEOSA-N 453.442 2.238 30 10 JEEE C=CCOC[C@@H](NS(=O)(=O)c1ccc(Br)cc1Br)C(=O)OC 1661654711 TZONNSQKBKERKT-LLVKDONJSA-N 457.140 2.234 30 10 JEEE C#C[C@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCCCN1CCOCC1 1689826342 MIWMFFIJMXHTAW-SFHVURJKSA-N 458.994 2.432 30 10 JEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1ccc(O)cc1 1689892601 IVPSDLQLDZXIDM-NHCUHLMSSA-N 473.599 2.462 30 10 JEEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCCN1CCCCC1=O 1689972434 OXAZKPSJVDUSFQ-UHFFFAOYSA-N 463.630 2.115 30 10 JEEE C#CCN(c1nnc(-c2ccc(Br)cc2)n1CCOCC)[C@H]1CCS(=O)(=O)C1 1689981857 CITUGUVWMJQMPV-KRWDZBQOSA-N 467.389 2.371 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCOCc1ccccc1)[C@H]1CCS(=O)(=O)C1 1689991083 VNPHTLUBUVGGBJ-SFTDATJTSA-N 458.584 2.016 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCN(CCC)C1 1690019886 TXJGWEPVGGVVJQ-RTWAWAEBSA-N 470.618 2.391 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(O)CCCCC1 1690036907 GELBXSSKTBRACI-UHFFFAOYSA-N 469.611 2.354 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@](C)(O)c2ccsc2)CC1 1690114614 AJQCUDDUGWEWAB-QHCPKHFHSA-N 485.635 2.073 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(OC)c(OC)c2OC)CC1 1690124761 SYFGUGCEVWWESC-IBGZPJMESA-N 455.559 2.001 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OCCC)c(OC)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1690200319 SNXAPLHXKDHGRT-RPWUZVMVSA-N 488.610 2.284 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(NC(=O)CCC)CC1 1690236616 PBUASAGDGRKILP-NQIIRXRSSA-N 458.607 2.380 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ccc(F)cc2)CC1 1690411118 FMWCZZCSMBDHPO-HXUWFJFHSA-N 463.579 2.395 30 10 JEEE C=CC[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cnn(C)c1)c1ccccc1 1690445493 YGOMSHYKXDCROP-YADHBBJMSA-N 499.641 2.341 30 10 JEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ncnc3sccc23)CC1 1690472029 BHRVWXQWHALINJ-HNNXBMFYSA-N 476.632 2.186 30 10 JEEE C=CCCOCCn1c(-c2ccccc2OC)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1690504009 VOHONWPDJOERRM-NRFANRHFSA-N 455.559 2.374 30 10 JEEE C=CCCOCCn1c(Cc2csc(C)n2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1690509998 PNHAKCKZFRTSMU-QFIPXVFZSA-N 473.603 2.041 30 10 JEEE C=CCN(CCOC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@]1(O)CCOC1 1690622619 TWVWNDHYHUWQEP-QHCPKHFHSA-N 465.595 2.183 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1690676105 PYJOPDRHVRZUAG-DVECYGJZSA-N 455.559 2.160 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCCN(C(C)C)CC1 1690727239 XVJAMGJNPHOSNC-UHFFFAOYSA-N 471.631 2.038 30 10 JEEE CC[C@@H](C)NC(=O)CCn1c(CN2CCCC2=O)nnc1N1CCCN(c2ccccc2C#N)CC1 1694222717 DVQYZILXMYXFIJ-HXUWFJFHSA-N 492.628 2.294 30 10 JEEE CN(C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)CCCO2)CC1)S(C)(=O)=O 1696649579 ABCOTHFFTNPPIV-QFIPXVFZSA-N 458.588 2.246 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC(=O)NCC(F)(F)F 1705481784 MRXIEQPYTAPGPB-LBPRGKRZSA-N 455.437 2.107 30 10 JEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(=O)c2cccc(C)c2)CC1 1705509218 COXSRQXKZCKQHY-HXUWFJFHSA-N 486.642 2.353 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1cccc(C(OC)OC)c1)[C@@H]1CCS(=O)(=O)C1 1705568923 AQPAMRXDGKEHIN-JOCHJYFZSA-N 495.605 2.230 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1CCCN(C)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1705569413 CNJCXXSFCOXGLI-SFHVURJKSA-N 467.636 2.360 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@H]2CCCCS2(=O)=O)CC1 1705636444 KISNBINNFCLXGO-GOSISDBHSA-N 478.018 2.330 30 10 JEEE C#CCN1CCN(c2nnc(-c3cn(C)c4ccccc34)n2CCS(=O)(=O)C(C)(C)C)CC1 1705637671 HNEYGSGIWILIIW-UHFFFAOYSA-N 468.627 2.405 30 10 JEEE C#CCN1CCN(c2nnc(CSc3ccccc3OC)n2CCN2CCSCC2)CC1 1705643978 WPZWWHUJDSRVRG-UHFFFAOYSA-N 472.684 2.383 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2Cc2cccc(OC)c2OC)CC1 1705649600 CGXDRJSKSNFSKX-UHFFFAOYSA-N 474.565 2.295 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(F)cn2)CC1 1705649816 FWWJJIXQIWUKLO-UHFFFAOYSA-N 453.547 2.182 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CCc2cccc(C(=O)NC)c2)CC1 1705650556 URRINNSIUDDDTC-UHFFFAOYSA-N 450.587 2.045 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCOc1ccc(C)cc1 1705674663 NTPZBKFWGKLTEK-ZJSXRUAMSA-N 487.626 2.381 30 10 JEEE C=C(C)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CC[C@H](S(C)(=O)=O)C1 1705724430 NHPQDNOBPLOHOE-INIZCTEOSA-N 456.572 2.264 30 10 JEEE C=C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1705764985 USAYUFUXEHEBPJ-SFHVURJKSA-N 493.655 2.177 30 10 JEEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ccc(F)c(F)c2F)CC1 1705769162 KPOBMPRMPLQSBC-QGZVFWFLSA-N 485.532 2.427 30 10 JEEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(-n2nc(C)cc2C)nc1 1705880124 WDHFVDFQAMIDRU-UHFFFAOYSA-N 464.574 2.399 30 10 JEEE C=CCn1c(C(=O)NC(CC)CC)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 1705886026 MGPBLAJTDDTHNO-UHFFFAOYSA-N 459.639 2.199 30 10 JEEE C=CCn1c(COc2ccccc2OC)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1705893119 JIORFDOZSAMVFG-UHFFFAOYSA-N 467.530 2.109 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1705930845 XGWGOBVVYKTVGF-FFZOFVMBSA-N 491.589 2.405 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1705932762 KANNSMKBDFNJBL-UHFFFAOYSA-N 482.610 2.399 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1705935126 HWHTYMQNYNHZLA-UHFFFAOYSA-N 492.621 2.239 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCO[C@H](c2cccc(F)c2)C1 1705938602 DSBDXZBYKWOSLY-MOPGFXCFSA-N 450.536 2.447 30 10 JEEE C=CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1705941233 DHYWWNWTTWFLQL-INIZCTEOSA-N 479.628 2.106 30 10 JEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1705946468 ISSBREQAGAQPLF-CABCVRRESA-N 467.583 2.172 30 10 JEEE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3cccc(C#N)c3)n2CCN2CCN(C)C(C)(C)C2)C1 1705959573 ARHWKQLURPZHOX-JOCHJYFZSA-N 478.645 2.147 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1706743653 DDTBGPDKQFZPAM-DLBZAZTESA-N 468.587 2.355 30 10 JEEE CCS(=O)(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCC(O)CC2)CC1 1710851017 CBYMOEBIYFDMDG-UHFFFAOYSA-N 486.642 2.067 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1722287405 PIFBRWOCXLUFGS-DZFGPLHGSA-N 452.584 2.479 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](CN2CCCC[C@@H]2C)C1 1722332278 HPYFWTSFFGAWIS-FKBYEOEOSA-N 492.690 2.115 30 10 JEEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](Cc2ccccc2)C1 1722332344 JHSKJWAKVILHJN-SFTDATJTSA-N 457.600 2.093 30 10 JEEE C#CCCCn1c(CCOc2ccccc2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1722338402 HPVOJYWOLNQTGU-URXFXBBRSA-N 464.614 2.302 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1CCC(C(F)(F)F)CC1 1722422916 VFMGVRFSLXRKAU-QQFBHYJXSA-N 465.542 2.343 30 10 JEEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCN1CCSCC1 1722430402 DOWYTGFUGALHSW-UHFFFAOYSA-N 451.600 2.183 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2(CC)CCOCC2)CC1 1722434031 KLGSJNIXHDZQRI-UHFFFAOYSA-N 471.627 2.311 30 10 JEEE C=CC1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCN(C)CCOC)CC1 1722583190 QYKPXGAJOHSPGZ-UHFFFAOYSA-N 454.623 2.433 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@H](c2ccnn2C)C1 1722695153 VHUMEJXGTVCNFF-KRWDZBQOSA-N 465.558 2.382 30 10 JEEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@@](C)(OC)CC1 1722697661 OHGTZCWQYHPFMV-HSZRJFAPSA-N 451.531 2.292 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CC[C@H](C3CCOCC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1722732050 UCESRPKAJQHKCK-REWPJTCUSA-N 482.647 2.172 30 10 JEEE Cc1ccc(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N(C)[C@@H](C)CC#N)c(=O)n1C 1724359535 GUCRPZJSGGZZHC-INIZCTEOSA-N 454.556 2.142 30 10 JEEE Cc1nc(C)n(C[C@@H]2CCCN(c3nnc(-c4ccc(C#N)cc4)n3CCC(=O)N(C)C)C2)n1 1726171933 HAERAOBUBHXDSL-HXUWFJFHSA-N 461.574 2.420 30 10 JEEE CCc1nc(C)c(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)Cc2cccc(C#N)c2)o1 1727451102 IFLQGTRWFIDSOL-HXUWFJFHSA-N 499.597 2.026 30 10 JEEE CNC(=O)[C@@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)N(C)C2CC2)C1 1729647709 GHUFKVDBFFLPSS-XDHUDOTRSA-N 451.575 2.174 30 10 JEEE COc1cc(-c2nnc(N(C)[C@H](C)CC#N)n2C[C@]2(O)CCS(=O)(=O)C2)ccc1OC(C)C 1729961348 FKSSEGVOWUTULF-OPAMFIHVSA-N 477.587 2.029 30 10 JEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(c2ncc3n2CCCC3)CC1 1740581303 UUJIWNVGJKBNDG-QGZVFWFLSA-N 459.620 2.219 30 10 JEEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1740597123 PGBOTCHXIBMVFL-GUDVDZBRSA-N 456.591 2.377 30 10 JEEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CC(=C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1740616569 CRMRBDXQCZQGTD-ZJSXRUAMSA-N 470.595 2.270 30 10 JEEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1cccc(CN2CCOCC2)c1)[C@@H]1CCS(=O)(=O)C1 1740616645 DTZBZLPBVYDUPC-NZQKXSOJSA-N 485.654 2.299 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC1CCC(OC)CC1)[C@@H]1CCS(=O)(=O)C1 1740627856 SWAMSAJKDHCRNI-NBDWZHNGSA-N 450.605 2.352 30 10 JEEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](CC)N1CCc2ccccc2C1 1740661897 LZSYSHVJRVAXIO-NQIIRXRSSA-N 458.632 2.185 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCC(=O)NC(C)C)CC1 1740694687 QRXMEVXAESCMIZ-HXUWFJFHSA-N 487.649 2.063 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@]2(C)COCCO2)CC1 1740703040 DPJSOGBAWNTVQN-XMMPIXPASA-N 489.523 2.318 30 10 JEEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCC(C(=O)NCCC)CC1 1740715536 BMOFTRRWFLHROW-UHFFFAOYSA-N 458.588 2.115 30 10 JEEE C=C(Br)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1740741441 VCWUMNWVTJEUBV-KRWDZBQOSA-N 484.358 2.492 30 10 JEEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 1740879423 LDEQJQNNJODRQR-UHFFFAOYSA-N 471.650 2.184 30 10 JEEE C=CCN(CC=C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1740932221 JKXGWNHBJZMXRX-QHCPKHFHSA-N 495.646 2.121 30 10 JEEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(N(CC)CC)CC1 1740959372 SVDKWIPGLYRPOT-UHFFFAOYSA-N 464.574 2.207 30 10 JEEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@]2(CCOC2)C1 1740960743 ZHIYARPFPSWFQV-DEOSSOPVSA-N 474.606 2.312 30 10 JEEE C#CCN(C)c1nnc(CCc2ccc(OC)cc2)n1CC1(NC(=O)OC(C)(C)C)COC1 1748794830 NCLMKEFIFXTSGD-UHFFFAOYSA-N 455.559 2.435 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCc1ccc(OC)cc1OC)[C@H]1CCS(=O)(=O)C1 1748817289 HWOGHENJVIWLAH-UXHICEINSA-N 488.610 2.059 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(F)(F)C1(OC)CCOCC1 1748842556 MFKDWVVFTSDEBD-UHFFFAOYSA-N 496.518 2.096 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC[S@](=O)C(C)(C)C)CC1 1748979868 QGFZNSGSMQYTGN-YTTGMZPUSA-N 459.616 2.265 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@](C)(O)CC)CC1 1748989700 BGHITURREOUHJF-NTKDMRAZSA-N 460.623 2.309 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[C@H](C)c2ccc(OC)cc2)CC1 1748990220 WDSCPQFRHFJPBT-FPOVZHCZSA-N 471.627 2.138 30 10 JEEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2CCC(=O)N2CCOCC2)CC1 1748998821 BBWGLCPFNBVEAU-UHFFFAOYSA-N 494.640 2.293 30 10 JEEE COc1ccccc1SCc1nnc(N2CCO[C@@H](C#N)C2)n1CCCC(=O)NC1CC1 1749114537 BBLHFQZVIFDBES-KRWDZBQOSA-N 456.572 2.367 30 10 JEEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2ccc(F)c(F)c2)C1 1749193705 LZXLDIRXMNLHQZ-RTBURBONSA-N 483.541 2.043 30 10 JEEE C=C(C)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC[C@H](NC(C)=O)C1 1749200657 KHBYYDAZAULYNG-QFIPXVFZSA-N 451.619 2.324 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 1749268734 GIZVSTZABCPHGD-BPLDGKMQSA-N 460.000 2.282 30 10 JEEE C=CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1749406713 MPVSIGYVERCSJZ-OAQYLSRUSA-N 491.662 2.127 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N(C)CC(=O)Nc1cc(F)cc(F)c1 1749729164 CNSWQTFPLMESLF-UHFFFAOYSA-N 478.525 2.238 30 10 JEEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 1749732090 PIIZKYPDZYWSLM-NRFANRHFSA-N 459.616 2.002 30 10 JEEE C[C@H]1CCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1 1752113293 GEORGUPDLJPNKM-AZUAARDMSA-N 452.559 2.460 30 10 JEEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CCNC(=O)c1ccc(C)cc1 1760121980 GAGCYJUVRKVFEI-KRWDZBQOSA-N 450.568 2.466 30 10 JEEE C#CCN(c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1CC1(O)CCC1)[C@H]1CCS(=O)(=O)C1 1760181077 PFKSZLLVRHZLSC-OALUTQOASA-N 488.610 2.359 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1C[C@H]2CC[C@H]1C2)[C@H]1CCS(=O)(=O)C1 1760181690 AAGBELDUJDENFM-JPLJXNOCSA-N 461.632 2.259 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1CC1(CCOC)CCC1)[C@@H]1CCS(=O)(=O)C1 1760190478 RCMRKTPQMAUAGH-HXUWFJFHSA-N 457.600 2.097 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCOCC(=C)C)[C@@H]1CCS(=O)(=O)C1 1760193073 SIEPCDVBKDZGHN-VAMGGRTRSA-N 464.632 2.416 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1SCCc2ccccc21 1760219472 FRJCFHAQRZOTRZ-YADHBBJMSA-N 499.662 2.105 30 10 JEEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCC2CCN(CC(F)(F)F)CC2)CC1 1760257085 OEEONRRUAMURSS-HSZRJFAPSA-N 498.594 2.350 30 10 JEEE C=C(Br)Cn1c(Cc2ccncc2)nnc1N1CCN(c2nccc(OC)n2)CC1 1760310214 WQOCVOBUHCLARE-UHFFFAOYSA-N 471.363 2.298 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 1760316138 MTBKURIIZNJVQY-JKEDJMADSA-N 453.609 2.017 30 10 JEEE C=C(C)COCCn1c(-c2ccccc2F)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1760354973 UOMKJYUPUUFUPG-UHFFFAOYSA-N 456.566 2.421 30 10 JEEE C=CCCOCCn1c(Cc2csc(C)n2)nnc1N1CCN(c2ncc(F)cn2)CC1 1760452185 HDHUSILUEVKEIM-UHFFFAOYSA-N 458.567 2.482 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCO[C@H](c2noc(C)n2)C1 1760515444 NVTOFYAPMFMZGW-OALUTQOASA-N 451.531 2.392 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC2(C)COC2)C1 1760539919 XTIRLQKRBBDJCU-GOSISDBHSA-N 461.588 2.013 30 10 JEEE Cc1nn(C)c(N2CCN(c3nnc(C(C)(C)C)n3Cc3ncccc3N(C)C)CC2)c1C#N 1762399938 HHXXVHZSBLCEQS-UHFFFAOYSA-N 462.606 2.325 30 10 JEEE CCN(CC)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@](C)(O)C(C)C)CC1 1766567603 IBXVJQNUPBMMIC-RUZDIDTESA-N 467.618 2.214 30 10 JEEE COc1cccc(O[C@@H](C)C(=O)N2CCC(OCC#CCN3CCN(C(C)C)CC3)CC2)c1 1890335994 QREKYOFMRCTJDP-QFIPXVFZSA-N 457.615 2.500 30 10 JEEE CC(C)([C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)[S@@](=O)CC(=O)NCC#N 2019033730 UHBZSNCCFKAGKE-IFXFPORBSA-N 483.546 2.145 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)OCC1(C)C 2180984207 IAUWWPQHEPYQIX-OAHLLOKOSA-N 462.356 2.129 30 10 JEEE CO[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2187895704 RLVAVVCBDBJOAT-HZPDHXFCSA-N 462.356 2.129 30 10 JEEE Cn1cc([C@H](NC(=O)OC(C)(C)C)C(=O)N2CC[C@@H]3C[C@]3(B3OC(C)(C)C(C)(C)O3)C2)nn1 2194130927 VTCHKDKNQWCQPX-RQVMVGKASA-N 461.372 2.466 30 10 JEEE CC#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 2230883178 NQXVITVVZHDSGI-MTHXSQLBSA-N 465.591 2.273 30 10 JEEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NC[C@@]2(C)CN(C(=O)OC(C)(C)C)CCO2)C1 2255154733 YCRRLFYKBJWZBF-HESYMAFGSA-N 451.564 2.435 30 10 JEEE CC(C)(C)OC(=O)NCC(F)(F)CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2255749794 AXCOZKGVIAOPMY-UHFFFAOYSA-N 482.380 2.486 30 10 JEEE CC(C)(C)OC(=O)NCCCNS(=O)(=O)Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2255797076 ZKXYHXMHQSHGHU-UHFFFAOYSA-N 454.398 2.320 30 10 JEEE C[C@H]1[C@@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)CCCN1C(=O)OC(C)(C)C 2256614229 LSEDQMJPVYCGBL-STQMWFEESA-N 452.386 2.233 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@@H]1CC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2256615899 YEQBDEZYAXPICZ-ZDUSSCGKSA-N 453.370 2.407 30 10 JEEE CC(C)(C)OC(=O)N1CC=C(CC(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)CC1 2256642408 YYDBCECZAKIVOI-UHFFFAOYSA-N 450.370 2.155 30 10 JEEE C[C@@H](CCN(C)C(=O)OC(C)(C)C)N(C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2267128566 YQWFJZOYVJAXDC-HNNXBMFYSA-N 450.389 2.437 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCO[C@H]2[C@H]1NC(=O)c1ccsc1B1OC(C)(C)C(C)(C)O1 2267476755 CGPUWTLDURJWAL-DRPJVOAASA-N 464.393 2.458 30 10 JEEE CC(C)N(CCCNC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1)C(=O)OC(C)(C)C 2267503088 XQIHNWJWXAPCRI-UHFFFAOYSA-N 450.389 2.485 30 10 JEEE COCC1(NC(=O)c2c(C)nsc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2267528868 HFRZLWQZVPGMGL-UHFFFAOYSA-N 467.397 2.116 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)[C@H]1CN(C(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)CCO1 2267537131 ONIKKTLBDGVMDT-DZGCQCFKSA-N 467.397 2.197 30 10 JEEE CC1(C)OB(c2nscc2C(=O)N2C[C@@H]3OCCN(Cc4ccccc4)[C@H]3C2)OC1(C)C 2267549038 WSYQWBSRMVJNIU-OALUTQOASA-N 455.389 2.168 30 10 JEEE COc1ccc(NC(=O)COCCNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2268666797 OHRUCDXXCWUZOA-UHFFFAOYSA-N 450.341 2.474 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)[C@@H]1C1CC1 2268724682 NWPYEMREPTWZEZ-KBPBESRZSA-N 464.397 2.233 30 10 JEEE CC1(C)OB(c2cnsc2C(=O)N2CC(COCc3ccccc3)(C(=O)O)C2)OC1(C)C 2269057102 GSJLSEONYWBUKM-UHFFFAOYSA-N 458.345 2.186 30 10 JEEE C=C(CS(=O)(=O)N(C)C[C@]1(O)CCCN(Cc2ccccc2)C1)B1OC(C)(C)C(C)(C)O1 2270914414 KMPZRASQONBKQD-HSZRJFAPSA-N 464.437 2.463 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2CN(c3nccc(B4OC(C)(C)C(C)(C)O4)c3F)C[C@@H]2[C@H]1CO 2280764518 RWVXDEZOKILYFJ-YQQAZPJKSA-N 463.359 2.184 30 10 JEEE Cn1ncc(C(=O)N2CCC[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)c1B1OC(C)(C)C(C)(C)O1 2281824667 WJPMRTVTAPNCGA-RDJZCZTQSA-N 460.384 2.191 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@]2(F)CCC[C@@]2(NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2281991085 WDTIATZIDZKNKB-FCHUYYIVSA-N 464.347 2.320 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](CNC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)OCC12CC2 2282020478 YVYNSYJVZSDPON-CQSZACIVSA-N 479.408 2.341 30 10 JEEE C[C@@H]1CN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C[C@@H]1CCNC(=O)OC(C)(C)C 2282029526 TVHNLDDZWZRYFK-CVEARBPZSA-N 460.384 2.399 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2occc2B2OC(C)(C)C(C)(C)O2)C[C@]12CCOC2 2282036914 PADSXZPHLXECFI-WNSKOXEYSA-N 462.352 2.477 30 10 JEEE CCn1cc(C(=O)N[C@@H]2[C@@H]3CCCN(C(=O)OC(C)(C)C)[C@@H]32)nc1B1OC(C)(C)C(C)(C)O1 2282042425 GYCGQQCGGGASKS-UAGQMJEPSA-N 460.384 2.330 30 10 JEEE CC(C)(C)OC(=O)NC[C@]12CN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)sn3)C[C@@H]1CCO2 2282062348 XGICLYYZGUHGIY-FPTDNZKUSA-N 479.408 2.198 30 10 JEEE C[C@@H]1CC[C@@H](CNC(=O)C(F)(F)F)N(C(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)C1 2282513427 PYLKEQDHBXSYIU-KGLIPLIRSA-N 455.286 2.300 30 10 JEEE Cn1ncc(C(=O)N2C[C@@H](NC(=O)OC(C)(C)C)CC23CCC3)c1B1OC(C)(C)C(C)(C)O1 2282565288 IAARILHQZGCYML-HNNXBMFYSA-N 460.384 2.381 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@]12C[C@@H]1CN(C(=O)OC(C)(C)C)C2 2282588730 IGJDNABRUQYNJF-IQMFZBJNSA-N 460.384 2.189 30 10 JEEE CO[C@H]1C[C@@H](CNC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)N(C(=O)OC(C)(C)C)C1 2282664443 CTHOVRGKEQCBLH-HOTGVXAUSA-N 461.368 2.135 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CN(C(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)CCO1 2282665362 PCRCHJGXLBGFMQ-RDJZCZTQSA-N 461.368 2.135 30 10 JEEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCCCC[C@H]1NC(=O)OC(C)(C)C 2282701764 ZBYCAGNLKJJMJH-LSDHHAIUSA-N 463.388 2.070 30 10 JEEE CN(Cc1ccccc1)C1CCN(S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CC1 2282848876 TULJUTNYPUETHC-UHFFFAOYSA-N 474.436 2.004 30 10 JEEE Cn1c(C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)cnc1CNC(=O)OC(C)(C)C 2283985912 NNXOIPOCYUMHLG-UHFFFAOYSA-N 477.396 2.131 30 10 JEEE CC(C)(C)OC(=O)N1[C@H](C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)COCC1(C)C 2283987235 JKVGIHYZXJSNRD-AWEZNQCLSA-N 481.424 2.473 30 10 JEEE CC(C)(C)OC(=O)NCC12COC(C(=O)NCc3cnc(B4OC(C)(C)C(C)(C)O4)s3)(C1)C2 2284135862 VMNAMGJVADAOBE-UHFFFAOYSA-N 479.408 2.132 30 10 JEEE Cc1ncc(C(O)=C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccccc2F)c(C)n1 2296620613 XJZLHWUILCOJGM-NRFANRHFSA-N 454.502 2.377 30 10 JEEE CC(C)N1C[C@@H](c2nnc(SCC(=O)NCc3ccco3)n2N=Cc2ccccn2)CC1=O 2329021294 YPOABXSGOCWSMI-INIZCTEOSA-N 467.555 2.281 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CS(C)(=O)=O)C(=O)N1CC[C@@H]2C[C@@]2(B2OC(C)(C)C(C)(C)O2)C1 2335392051 FPGGEHZMKCDZAP-LRAJWGHMSA-N 472.413 2.009 30 10 JEEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H]2CC[C@H]1N2C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2359309831 CZRMTJDKIZIEON-OWCLPIDISA-N 458.368 2.294 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1NC(=O)[C@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C 2360642815 SSMLODIPWHSFMT-KRWDZBQOSA-N 482.408 2.171 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC12CC(CNC(=O)OC(C)(C)C)C2 2362332032 LCGXNZQBBPZJDH-UHFFFAOYSA-N 460.384 2.239 30 10 JEEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H]3CN(Cc4ccccc4)C[C@@H]3C2)n1C 2362437964 KLZCSXWCTPJAGH-WOJBJXKFSA-N 450.392 2.232 30 10 JEEE COc1ccc(NC(=O)CSc2nnc(N/N=C/c3cccc([N+](=O)[O-])c3)n2N)c(OC)c1 20291884 CPGOOKAGRJGTDO-UFFVCSGVSA-N 472.487 2.094 30 10 JEEE NC(N)=NS(=O)(=O)c1ccc(NC(=S)NC(=O)c2cccc(OCCc3ccccc3)c2)cc1 20423844 GPVOFFZJHFCLED-UHFFFAOYSA-N 497.602 2.397 30 10 JEEE CCSc1nnc(NC(=O)CSc2n[nH]c(N/N=C/c3ccc(O)cc3O)n2)s1 58994344 HPVWOOUGYBAXDN-OMCISZLKSA-N 452.547 2.356 30 10 JEEE N#Cc1ccc(N2CCC(NC(=O)[C@@H]3CCCCN3S(=O)(=O)c3cccs3)CC2)nc1 608949910 FJKAOLFRTIVTFT-SFHVURJKSA-N 459.597 2.343 30 10 JEEE CC#CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@H](O)CC(=O)O 757203419 YETVNDVPHTUGTR-OPAMFIHVSA-N 450.491 2.259 30 10 JEEE CCOc1ccccc1NC(=O)CSc1nnc(NN=Cc2ccc(OC)c(O)c2)n1N 1084389302 ITKZVYNLLYSBEL-UHFFFAOYSA-N 457.516 2.282 30 10 JEEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2nnc(-c3cccc(OC(F)(F)F)c3)s2)C1=O 1128866346 FPJQQTCCOYKZGX-UHFFFAOYSA-N 455.374 2.019 30 10 JEEE N#C[C@@]1(F)CCN(C(=O)c2cccc(S(=O)(=O)N3CCN(Cc4ccccc4)CC3)c2)C1 1269267608 DNVREXTVILTVBW-QHCPKHFHSA-N 456.543 2.271 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@]2(O)CCCC2(C)C)c1 1286309999 VVMDAXJBMYLART-RUZDIDTESA-N 466.586 2.414 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(C)n(C)c2=O)c1 1286311440 IJBNSEOQYOXWDP-UHFFFAOYSA-N 498.591 2.251 30 10 JEEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1286356010 IHCUTSPFWYSDEA-SFHVURJKSA-N 456.616 2.373 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CC1(C)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1286383420 MMXHUMHRVSZPEI-HXUWFJFHSA-N 453.568 2.260 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1cccc(C(=O)NCCC)c1)[C@@H]1CCS(=O)(=O)C1 1286386654 FKJUWYJXUBPPPZ-JOCHJYFZSA-N 492.605 2.155 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Cl)n1CCCO[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1286386907 JLKMZSPSOCRZCG-QZTJIDSGSA-N 479.002 2.421 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccccc1COCCC)[C@@H]1CCS(=O)(=O)C1 1286390188 YJXMSJVYFHQPAW-JOCHJYFZSA-N 482.610 2.280 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CC(C)(C)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1286393488 LCJUFNQSKVLAIN-INIZCTEOSA-N 455.506 2.479 30 10 JEEE C#CCN(c1nnc(COc2ccccc2CC)n1CCN1CC=CCC1)[C@H]1CCS(=O)(=O)C1 1286394851 KUMVSVFBODXLHD-QFIPXVFZSA-N 483.638 2.308 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H](c1ccc(C)cc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1286395583 RXQSZKFZFFTWAO-BHIFYINESA-N 471.627 2.020 30 10 JEEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CCC2CCN(CC(F)(F)F)CC2)CC1 1286476923 JVXCVWGOUOHZEF-UHFFFAOYSA-N 462.524 2.155 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCC(=O)NCCC 1286518449 VMBNSCXPTDCIFC-HSZRJFAPSA-N 472.615 2.104 30 10 JEEE C=C(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1286584913 QHCBAEZIOLIBGA-GOSISDBHSA-N 463.546 2.255 30 10 JEEE C=CCCOCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1286707374 CQCHKHAJVKBKMO-NRFANRHFSA-N 461.544 2.461 30 10 JEEE C=CCN(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(N2CCOCC2)nc1 1286729614 WCTQZBPESUNZFQ-UHFFFAOYSA-N 453.572 2.172 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 1286791115 NIFPCHOBKQKULT-NQIIRXRSSA-N 496.612 2.472 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C[C@H]2CCOC2)CC1 1286815892 GNAFNLWNWUPZHO-QGZVFWFLSA-N 498.024 2.497 30 10 JEEE CCN(CC)c1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(C(=O)COC)CC2)cn1 1295412856 HOENMPZFNUBVAE-UHFFFAOYSA-N 488.596 2.401 30 10 JEEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCCN1CCC(O)CC1 1300456221 YCDFMQUEFSVBLE-UHFFFAOYSA-N 463.586 2.152 30 10 JEEE C#CCN(c1nnc(C(=O)N2CCCC2)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1)[C@H]1CCS(=O)(=O)C1 1300478812 BZHWGRKYDSKASY-ZACQAIPSSA-N 487.548 2.434 30 10 JEEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CC1(C)C)[C@H]1CCS(=O)(=O)C1 1300484848 UWRBCSGSDFQGLO-MSOLQXFVSA-N 476.624 2.021 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1cn(C2COC2)nn1 1300581430 SEAGIWUGTUHCBD-LJQANCHMSA-N 494.600 2.067 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCN2CCCC[C@@H]2CC)CC1 1300708647 XEAZQKHXKSYXGO-FQEVSTJZSA-N 469.659 2.289 30 10 JEEE C=C(Br)Cn1c(N2CC[C@@H](OCCOC)C2)nnc1[C@]1(OC(C)C)CCOC1 1300861468 JAGGHLUXIFEZRD-APWZRJJASA-N 459.385 2.469 30 10 JEEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 1300996934 KEUMMVXAJKMHSM-GOSISDBHSA-N 471.558 2.064 30 10 JEEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C)cc2N2CCOCC2)CC1 1301105680 LSHAJCWLCPETLR-IBGZPJMESA-N 488.658 2.484 30 10 JEEE C=CCCOCCn1c(COc2ccccc2F)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1301260161 XLTCLXIIQRJZNN-UHFFFAOYSA-N 472.521 2.110 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN([C@H](C)c2nccs2)CC1 1301513858 AOGBWTQYRNYQQK-GOSISDBHSA-N 492.609 2.371 30 10 JEEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](c2ccccc2Cl)C1 1301593896 XCGXYFXLUBPPBV-LJQANCHMSA-N 494.017 2.233 30 10 JEEE C=CCSCCn1c(Cc2cccnc2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1301615564 PIGLMTOCNXHUEF-LJQANCHMSA-N 462.645 2.187 30 10 JEEE Cc1ccsc1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1 1304122109 HUGGKUKWFMHCND-UHFFFAOYSA-N 466.567 2.442 30 10 JEEE CN(C)CC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1314664645 DIYFKTHHACIAAG-IBGZPJMESA-N 473.647 2.170 30 10 JEEE C#CCCCn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 1358931917 SLNFHGOWNZGFBV-FYYLOGMGSA-N 463.630 2.494 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1C[C@](C)(O)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 1358961067 QYUHAKZVUYAKJJ-REWPJTCUSA-N 457.600 2.298 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCc1nc(C)c(C)s1)[C@H]1CCS(=O)(=O)C1 1358961550 ASXZKZBMIXLOHW-ROUUACIJSA-N 463.629 2.462 30 10 JEEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CC1(C)C)[C@@H]1CCS(=O)(=O)C1 1358966360 NIEUHLGIHBQJNB-RBUKOAKNSA-N 453.568 2.402 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCn2ccnc2C1 1358979181 FPRSWWOXMXANEI-PMACEKPBSA-N 479.585 2.118 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(F)cc3Br)n2CC[S@@](=O)CC)CC1 1359032398 MYWCAECCWVVGMS-NDEPHWFRSA-N 468.396 2.371 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2CCN(C(C)=O)CC2)CC1 1359042086 QVNLHXYXFRLVPC-UHFFFAOYSA-N 493.568 2.078 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1359045594 MXXAJZYUVCDZEF-OSPHWJPCSA-N 471.989 2.028 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2CCCN2CCCC2)CC1 1359046292 MAIVUUTWXUEEIS-UHFFFAOYSA-N 464.614 2.329 30 10 JEEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(O)(C(F)(F)F)CC1 1359189560 ODYSWFBMIVLKTQ-HNNXBMFYSA-N 495.568 2.107 30 10 JEEE C=CCN(CCOC)c1nnc(-c2cccn2C)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1359280038 BSGTYDLWHYZPTR-RBUKOAKNSA-N 462.620 2.127 30 10 JEEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 1359302906 XSSLRDGXKSRYOA-UHFFFAOYSA-N 494.600 2.312 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCC3(CC2)COC(=O)N3)cc1 1359306588 LDDSJSSYQPSVGU-UHFFFAOYSA-N 454.531 2.108 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CCN(CC(C)C)C(=O)C1 1359328807 OUWRKKYPHLCQGU-UHFFFAOYSA-N 459.616 2.413 30 10 JEEE C=CCSCCn1c(-c2ccccn2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1359340784 ZOWVLRQMRSIFNA-LJQANCHMSA-N 455.632 2.392 30 10 JEEE C=CCSCCn1c(COc2cccc(C)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1359345311 BBOOJNGVBMTJRV-UHFFFAOYSA-N 451.618 2.166 30 10 JEEE C#C[C@@H](C)NC(=O)c1cc(S(=O)(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)ccc1C 1448152858 IEGXBQRADKPVGF-MRXNPFEDSA-N 452.536 2.345 30 10 JEEE COc1cccc(O[C@@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)c1 1504363011 GRFMBBSOCLAPDN-JKSUJKDBSA-N 462.576 2.104 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)cc1SC 1507536734 DSXJPASGGWOWLR-FUHWJXTLSA-N 463.629 2.148 30 10 JEEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2cc(F)cc(C)c2C1 1507588034 DWPNBHOBQRHCBN-HXUWFJFHSA-N 461.563 2.035 30 10 JEEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1CCCOC(C)C)[C@@H]1CCS(=O)(=O)C1 1507630447 YXTGIWYWEYSYHT-LJQANCHMSA-N 474.583 2.158 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@@H]1CCOC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1507640803 WHGJFLUAFBPTAV-PCCBWWKXSA-N 472.611 2.465 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1C[C@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1507658500 CHCVYTORPXBKPZ-KGWSWXIGSA-N 499.612 2.099 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccc(OC)cc3)n2CC2([S@](C)=O)CCC2)CC1 1507740630 WDAOQQWVJNJNOH-DHUJRADRSA-N 497.665 2.339 30 10 JEEE C=C(Br)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1507778727 GJLYLFFAWSAAFU-CZUORRHYSA-N 468.327 2.417 30 10 JEEE C=C(C)Cn1c(COc2ccc(Br)cc2)nnc1N1CCN(CCOC)C(=O)C1 1507833988 TUCOVDSDLROOMF-UHFFFAOYSA-N 464.364 2.491 30 10 JEEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2cc(OC)c(OC)cc2CC1 1507852789 DSFWWACGSLGJDJ-CQSZACIVSA-N 469.995 2.263 30 10 JEEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCN2CCc3sccc3C2)CC1 1507880831 KHYFSPPEEKABOM-MRXNPFEDSA-N 450.634 2.165 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H](C)c1ccccc1 1508145775 PGOKVLLEUJXSOQ-MJGOQNOKSA-N 466.629 2.021 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCC[C@@H](n3nc(C)cc3C)C2)nnc1[C@]1(OCC)CCOC1 1508149723 WNUVYMLLNJPVKY-OFNKIYASSA-N 492.646 2.186 30 10 JEEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)Cc2c(C)nn(-c3ccccn3)c2C)c1 1528404889 LOZDAACHJNQCPV-UHFFFAOYSA-N 457.534 2.300 30 10 JEEE C#CCCCCn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1539077403 AIVHGAQXWJNRGU-UHFFFAOYSA-N 492.624 2.146 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CC(CC)(CC)SC)[C@@H]1CCS(=O)(=O)C1 1539202418 IERJLBCQCXYTKG-QGZVFWFLSA-N 490.655 2.474 30 10 JEEE C#CCN(CCOC)c1nnc(Cc2cccnc2)n1Cc1cc(F)ccc1N1CCOCC1 1539417480 JPWKSNJKGUDGHF-UHFFFAOYSA-N 464.545 2.374 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CC(C)(C)N2CCC[C@@H](C)C2)CC1 1539477493 ONZBRZQBCQDOAA-LJQANCHMSA-N 466.634 2.155 30 10 JEEE C#CCSCCn1c(-c2ccc(C)o2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1539499645 NQYWUCYXKALRAB-XLIONFOSSA-N 456.616 2.202 30 10 JEEE C=C(C)Cn1c(COc2ccc(OC)cc2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1539717719 UUWICLCBPBJXHS-UHFFFAOYSA-N 481.557 2.499 30 10 JEEE C=C(Cl)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@](C)(C(=O)NC)C1 1539803385 ISZZBGAAPZAIAI-QVKFZJNVSA-N 468.986 2.301 30 10 JEEE C=CC1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCNC(=O)C2CC2)CC1 1539878238 WSXOJXXAAGQWOQ-UHFFFAOYSA-N 472.615 2.124 30 10 JEEE C=CCC(C)(C)Cn1c(-c2cnccn2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1539912525 MHCOKEZJGWWEOE-RXVVDRJESA-N 452.607 2.326 30 10 JEEE C=CCn1c(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1540861313 KYKWVVLDFXXMOD-QFIPXVFZSA-N 479.578 2.155 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](CC)NC(=O)OC(C)(C)C)C1 1540894932 HSHIZTMAPPSVRI-ROUUACIJSA-N 462.595 2.485 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1540907411 WBYOFYFGGVJYJG-CTNGQTDRSA-N 471.583 2.335 30 10 JEEE CNC(=O)c1cccc(Cn2c(-c3csc(N4CCOCC4)n3)nnc2N(C)[C@@H](C)CC#N)c1 1554415222 DMLYEIYVTRZUNQ-INIZCTEOSA-N 480.598 2.384 30 10 JEEE C=CCn1c(S)nc2cc(C(=O)N3CC[C@H](C(=O)OC)C[C@@H]3[C@H]3CCCO3)ccc2c1=O 1558481492 KNONOIDDSKTZCR-KFKAGJAMSA-N 457.552 2.444 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@@H](C)c1nccs1)[C@@H]1CCS(=O)(=O)C1 1588029634 JTBHBBQXEPTOHV-NVXWUHKLSA-N 478.644 2.083 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1CCCN1C[C@H](C)O[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1588045441 KTIUFRHMXDBTCU-FKBYEOEOSA-N 485.654 2.380 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccccc2Br)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1588205142 DUKPTUOHTWQEEO-QGZVFWFLSA-N 490.427 2.452 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1588604962 ULHXZBMTPCLRRN-OAHLLOKOSA-N 469.970 2.105 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1588605119 ZEGKZGKKZZEDAQ-IBGZPJMESA-N 452.559 2.317 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@]2(O)CCO[C@H]2C)CC1 1588907743 FJMWTROYOXOPAQ-WNSKOXEYSA-N 475.952 2.243 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2Cc2nccs2)CC1 1588968697 PHFJZELZSDILJD-UHFFFAOYSA-N 454.531 2.467 30 10 JEEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 1589060595 UMWWKOGDNHTBCC-FUHWJXTLSA-N 463.629 2.383 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CC[C@](C)(N2CCOCC2)C1 1589493964 JOXFZHKNKVKTKY-YOEKFXIASA-N 463.623 2.284 30 10 JEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cc(F)ccc2N2CCOCC2)CC1 1594014698 VAJLFYBEPAXPMW-KRWDZBQOSA-N 478.594 2.069 30 10 JEEE C=CCCCCn1c([C@@H]2CCCCO2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1594617408 ZAFQACCUUCYIPA-IBGZPJMESA-N 477.635 2.429 30 10 JEEE C=CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1595314028 DBMRZPXIULDNAP-SFHVURJKSA-N 451.531 2.100 30 10 JEEE C=CCOc1ccc(Cn2c([C@@H]3CCCOC3)nnc2N2C[C@@H](O)[C@H](CC(=O)OC)C2)cc1 1595614161 ORZWHMPITAFCEX-SFHLNBCPSA-N 456.543 2.145 30 10 JEEE C#CCN1CCC[C@H](NC(=O)[C@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc(F)cc2)C1 1595791035 VYKMBCDKRAHRTN-JTHBVZDNSA-N 455.555 2.155 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1595812291 QQCCGRSDQRQLJA-CKJXQJPGSA-N 481.644 2.007 30 10 JEEE CC(C)[C@@H]1OCCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1603158149 DHPCDIGJFBKYRL-SFTDATJTSA-N 472.615 2.350 30 10 JEEE CCOC(=O)c1c(NC(=O)NC2CCN(C(=O)c3ccoc3)CC2)c(C#N)cn1CCOC 1623540386 BNXUXVDLKBCIGO-UHFFFAOYSA-N 457.487 2.202 30 10 JEEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)c3cc4occc4s3)CC2)cc1 1629661696 VLKMXYDRAIVNHZ-UHFFFAOYSA-N 457.533 2.004 30 10 JEEE C=CCN1CC[C@@H](N(C)Cc2nc3cc(S(=O)(=O)N4CCCCC4)ccc3n2CC)C1=O 1642897012 HZRYYPLXKYRDMF-OAQYLSRUSA-N 459.616 2.450 30 10 JEEE COc1ccc(NC(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cc1N1CCCCC1=O 1667831330 AMZNEDUKCOEGOO-UHFFFAOYSA-N 451.531 2.480 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2cccs2)c1 1689868692 OQAVCHQJGXHJHY-MRXNPFEDSA-N 486.623 2.249 30 10 JEEE C#CCCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1689887337 YCSIECLLNJQUSG-UHFFFAOYSA-N 483.598 2.258 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@@](C)(OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1689984782 VMCAGEJTZLOJJB-AUSIDOKSSA-N 458.584 2.396 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1Cc1ccc(N(C)C)nc1)[C@H]1CCS(=O)(=O)C1 1689997035 URWVQZGQGWVLQK-NRFANRHFSA-N 494.621 2.302 30 10 JEEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1cccn(CC)c1=O 1690060690 FOQMEYUZXJRONW-UHFFFAOYSA-N 467.599 2.236 30 10 JEEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1Cc1cccc(C(=O)N(C)C)c1 1690082896 SESJMNWVOBMGDJ-UHFFFAOYSA-N 450.568 2.479 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@H](c2cccs2)N(C)C)CC1 1690154644 VMJPAYYEKRTPRE-RTBURBONSA-N 456.616 2.460 30 10 JEEE C#CCSCCn1c(COc2cc(C)ccc2C)nnc1N1CCN(C(=O)COC)CC1 1690182981 IWXJUWZYYNGXLZ-UHFFFAOYSA-N 457.600 2.135 30 10 JEEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCCN(c2nccc(OCC)n2)CC1 1690188250 GSDRJSFZKKULTC-GOSISDBHSA-N 457.604 2.401 30 10 JEEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2cc(Cl)ccc2C1 1690312938 HFTUWXKSKZWNCK-FQEVSTJZSA-N 496.033 2.420 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1690346551 WMWPXSRGDLHQRJ-OAHLLOKOSA-N 466.951 2.168 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](C)N1CCN(CC)CC1 1690559417 FUVDIHGUIDFJMK-NFBKMPQASA-N 476.629 2.319 30 10 JEEE C=CCn1c(C2CC2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)C2(CCS(=O)(=O)CC2)C1 1690640840 JXNLRXOMEXTAAI-MRXNPFEDSA-N 451.593 2.250 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@H](O)CC2(CCCC2)C1 1690665367 AXNAGGVTLMCTBU-QGZVFWFLSA-N 455.559 2.396 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1Cc1c(F)cccc1OC(F)F 1692774496 HCVRULJBWSPXKF-LBPRGKRZSA-N 472.493 2.417 30 10 JEEE COc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1CCCN1CCCO[C@@H](C)C1 1697617577 CXHMFQRKEPGLPW-VQTJNVASSA-N 470.574 2.095 30 10 JEEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1705572190 TVALOTCTGBVOSR-YRPNKDGESA-N 464.632 2.455 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCc1nccnc1C 1705580198 FUMDDTWTWLPSIX-UHFFFAOYSA-N 466.549 2.479 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCOc1ccc(OC)cc1 1705668542 OMIUCWSFYZKGJB-VGOFRKELSA-N 461.588 2.358 30 10 JEEE C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(=O)N(C)C2CCCCC2)CC1 1705720340 PKOYPRPOCNDEEZ-UHFFFAOYSA-N 480.617 2.415 30 10 JEEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCSC2(CCCCC2)C1 1705829973 HIBYGBOXFDGYRN-IBGZPJMESA-N 499.703 2.460 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@@H](C)CC1 1705934139 CCCDILZASCGYEI-QGZVFWFLSA-N 470.599 2.419 30 10 JEEE CC(C)NC(=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1CCCN1CCCO[C@H](C)C1 1706583944 GXMITGHRJMSDAE-LJQANCHMSA-N 453.591 2.425 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCCCN(C)C)cc1 1722293910 FABSZMRMYSGLLX-UYAOXDASSA-N 459.616 2.017 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCCO3)n2C[C@H]2CCCS(=O)(=O)C2)c1 1722310391 VINRAVWRORHZDS-TZIWHRDSSA-N 485.610 2.401 30 10 JEEE C#CCCCn1c(N2CCN3C(=O)N(CC(C)C)C[C@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1722340530 BGSYLAOGWXVYDN-YKSBVNFPSA-N 458.607 2.314 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1cccc(N(C)C)c1)[C@@H]1CCS(=O)(=O)C1 1722363932 CXKSEQPUVIWWBS-JOCHJYFZSA-N 464.595 2.005 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(CCOC)C(=O)C1 1722491399 KUVYGCGKYYEKEK-OFNKIYASSA-N 496.612 2.423 30 10 JEEE C=C(C)COCCn1c(COc2ccc(OC)cc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1722535366 AFATVZAZJJCPMG-HSZRJFAPSA-N 476.599 2.473 30 10 JEEE C=CCNC(=O)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCN(CCOC)CC1 1722689515 UVPCXKXGQYDGPU-UHFFFAOYSA-N 481.626 2.448 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C(C)C)N2CCCC2)C1 1722718261 HZYHJPRZXJDIGW-AQNXPRMDSA-N 451.637 2.082 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCCNC(=O)OC(C)(C)C)C1 1722718903 OOZSCKGTLULCGN-MSOLQXFVSA-N 483.635 2.266 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CC[C@](O)(c2cccc(F)c2)C1 1722726362 CYVDVLMDITZSBV-DENIHFKCSA-N 464.563 2.358 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N(C)C1CCN(C(=O)c2ccccc2)CC1 1722726579 ACVDIDZEUKPYPF-HXUWFJFHSA-N 487.626 2.124 30 10 JEEE C#CCCCCn1c(N2CCN(c3nc(C)cc(C)n3)CC2)nnc1[C@@]1(OCC)CCOC1 1740579150 PLMWGKOQFLJVNX-XMMPIXPASA-N 453.591 2.467 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1sccc1C)[C@@H]1CCS(=O)(=O)C1 1740625543 QZEBUHKJWIXGHD-GOSISDBHSA-N 458.613 2.185 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H](C)c2nccs2)CC1 1740700910 MZMDXHPGNBOUSX-MRXNPFEDSA-N 471.631 2.423 30 10 JEEE C#CCSCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCOC[C@H]1C 1740719980 NZIJJMWGDNSVIE-OAQYLSRUSA-N 454.644 2.234 30 10 JEEE C=CC[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1)c1ccccc1 1740853536 FTGLXYWODOBSRR-NJDAHSKKSA-N 467.570 2.234 30 10 JEEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCN(C(C)=O)C1 1740900157 NBONNKPXWYOECU-OALUTQOASA-N 462.595 2.467 30 10 JEEE C=CCOc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1740969906 XMYQVQBREPBXKJ-OALUTQOASA-N 473.599 2.246 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2cc(C)nn2C)C1 1740979912 GWHZHVDBAPLRRO-WOJBJXKFSA-N 487.605 2.458 30 10 JEEE CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2snnc2C)CC1 1743905396 CTESNWLJPFQGIJ-MRXNPFEDSA-N 479.614 2.062 30 10 JEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 1748700153 YHKVUBKIKKXBAS-MRXNPFEDSA-N 468.624 2.185 30 10 JEEE C#CCN(c1nnc(-c2cc(C)nc3ccccc23)n1C[C@H](COC)OC)[C@H]1CCS(=O)(=O)C1 1748803880 ASNAJEJDMOAXKY-RBUKOAKNSA-N 483.594 2.090 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1CC(C)(C)C(=O)NCC 1748951797 ZTVGMVSJQMEKEY-UHFFFAOYSA-N 465.396 2.294 30 10 JEEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2cc(F)cc(F)c2C1 1749426556 FMQSQSAPOJWLQW-IBGZPJMESA-N 467.542 2.418 30 10 JEEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1749450737 RGMQDYHCSPJHBT-UHFFFAOYSA-N 467.549 2.444 30 10 JEEE CS(=O)(=O)[C@@H]1CCCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCO2)C1 1750193776 BJYLCEQHDAFCHG-VQTJNVASSA-N 459.572 2.311 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2Cc2oc(CC)nc2C)c1 1760128742 RGCJGOXRFHQOFS-SFHVURJKSA-N 461.526 2.193 30 10 JEEE C#CCN(C)c1nnc(Cc2cn3ccccc3n2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1760177642 VHWBHCQRKCEREL-GOSISDBHSA-N 461.492 2.239 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CCOc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1760189335 HWCQHLKWRUKVSA-OAQYLSRUSA-N 465.579 2.278 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@@]2(O)CCOC2)CC1 1760266017 OCRZBMSBZUKCNC-XDHUDOTRSA-N 487.988 2.189 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(C[S@](C)=O)cc2)CC1 1760270337 VMTNZJSTNSPTQP-JXNPFXPLSA-N 483.638 2.065 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OC)n2Cc2c(C)noc2C)CC1 1760273534 XNIMHACMNKWQJJ-UHFFFAOYSA-N 478.553 2.485 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(Cn2cc(C)cn2)CC1 1760316169 NJIYSMLTTIHHAH-GIVPXCGWSA-N 491.662 2.291 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCC(C)C 1760321987 MOZBPUMFFXLCCF-FHWLQOOXSA-N 455.625 2.075 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(CN2CCOCC2)CC1 1760342691 JVZBDDPZXRDFTA-UHFFFAOYSA-N 459.616 2.473 30 10 JEEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1760359958 ZKHJBEAFLDPJJR-QHCPKHFHSA-N 453.635 2.461 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)Oc2ccc(F)cc2)CC1 1760389431 KKNXRXFHSFEGOC-XLIONFOSSA-N 479.578 2.374 30 10 JEEE C=CCCOCCn1c(N2CCc3nc(O)c(C#N)cc3C2)nnc1[C@]1(OC(C)C)CCOC1 1760452493 DRHZPYFOWHWSQR-DEOSSOPVSA-N 468.558 2.446 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCCn1cc(Br)cn1 1760464969 SUKCQWVMPSLULE-CQSZACIVSA-N 457.398 2.242 30 10 JEEE C=CCn1c(Cc2cn3ccccc3n2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1760511863 MDJCPDUDEXJEJR-UHFFFAOYSA-N 450.591 2.083 30 10 JEEE C=CCn1c(CNC(=O)c2cccs2)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 1760513561 JAYQAVNLGBTNBS-AWEZNQCLSA-N 460.585 2.300 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1760516361 LVKVDSUERBUFTA-SFHVURJKSA-N 487.580 2.443 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1760524960 OYNTZERPUABQAY-HXUWFJFHSA-N 452.603 2.169 30 10 JEEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1760526095 DHFIHGPVDQHOIN-QFIPXVFZSA-N 479.585 2.186 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2sccc2[C@H]1CC 1760548453 GXCVTPPYDUWJBZ-GOEBONIOSA-N 487.673 2.064 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1760551055 RXVLOJQRXWXJHK-QGZVFWFLSA-N 485.570 2.257 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2ccccc2C)CC1 1760557306 HIALQPQQIQHWLY-UHFFFAOYSA-N 483.642 2.376 30 10 JEEE CC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1)OC 1762337092 GADBZHCPULLIMF-FQEVSTJZSA-N 478.557 2.299 30 10 JEEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2cccc(C(F)(F)F)n2)CCOC1 1765921392 DRUQGIMWJAPHIE-HNAYVOBHSA-N 452.437 2.121 30 10 JEEE CSC1(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)CCN(C)CC1 1771408077 CHPFZKUBJYZDBJ-LJQANCHMSA-N 474.656 2.267 30 10 JEEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCO)[C@H]2c2cc3c(cc2[N+](=O)[O-])OCCO3)ccc1F 1862512812 NYUGUTYBYXHTRR-IBGZPJMESA-N 458.398 2.384 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H](C)O)[C@H]2c2ccc3c(c2)OCCO3)cc1OC 1862574412 PJOXJHJXOAIBOP-ASSNKEHSSA-N 455.463 2.434 30 10 JEEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(OC)c(O)c2)c1 1862704564 CVQJRABRIVWHNR-JOCHJYFZSA-N 468.506 2.320 30 10 JEEE COc1cc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2CCNC(C)=O)ccc1O 1862738095 SMZKNCWKAJXDED-LJQANCHMSA-N 455.423 2.023 30 10 JEEE CC(=O)N(CCN)C(=O)[C@@H](Cc1ccccc1)NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1 1868794753 GASCMRKIWCMBPR-YADHBBJMSA-N 481.622 2.086 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)Nc2nc(C)c(C(C)=O)s2)cn1CCCO 1870586779 NIYJCOTXSPYGHY-UHFFFAOYSA-N 474.583 2.390 30 10 JEEE C=CCn1cc(OCC(=O)N(C)C2CCCCC2)c(=O)cc1CNc1ccc(S(N)(=O)=O)cc1 1870940125 YUELAUJAQZXJBS-UHFFFAOYSA-N 488.610 2.464 30 10 JEEE COc1ccc(CCc2nnc(SCC(N)=O)n2/N=C/c2ccc3c(c2)OCCO3)cc1OC 1874219700 ZNIVBHTWIDAAAO-DHRITJCHSA-N 483.550 2.311 30 10 JEEE N#Cc1ccnc(OC[C@@H]2CCCN(C(=O)[C@@H]3CC(=O)N(c4ccc5c(c4)OCCO5)C3)C2)c1 1891499537 MEXBSMGBQAIOBH-RTBURBONSA-N 462.506 2.395 30 10 JEEE COc1ccc(-c2ccc(=O)n([C@@H](C)C(=O)N3CCC[C@H](Oc4nccnc4C#N)C3)n2)cc1 1891556855 NLHNNPWHDRFGID-LPHOPBHVSA-N 460.494 2.212 30 10 JEEE O=C(C1=C(O)C(=O)N(c2nncs2)[C@@H]1c1ccc(I)o1)c1cnccn1 2033813187 KBAFOGJUWYZVNF-LLVKDONJSA-N 481.231 2.309 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CC(CB3OC(C)(C)C(C)(C)O3)C2)S(=O)(=O)C(C)(C)C1 2197739154 ARURDYFVOVGQQX-MRXNPFEDSA-N 486.440 2.350 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N(Cc2ccccc2)CC(F)(F)F)n1 2255796538 SDRCNCQXLKPPLK-UHFFFAOYSA-N 459.299 2.473 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1C[C@H](CCC(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2256669627 SEVYIUMCFHAQLA-JOCQHMNTSA-N 452.386 2.281 30 10 JEEE Cc1ccc(CNS(=O)(=O)CCN2C(=O)c3ccccc3C2=O)cc1B1OC(C)(C)C(C)(C)O1 2264109295 FBDGJHLQGPOYAJ-UHFFFAOYSA-N 484.383 2.010 30 10 JEEE Cc1sc(C(=O)NCCC2(O)CN(C(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2267123632 WEBALADLJYFGBY-UHFFFAOYSA-N 466.409 2.457 30 10 JEEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1CCCN(C(=O)C(F)(F)F)C1 2267138335 UJBSBPIRCGHQQH-GFCCVEGCSA-N 461.315 2.281 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@@H](CNC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2267485929 HZNTXHJOUKIOBE-AWEZNQCLSA-N 467.397 2.056 30 10 JEEE CO[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)c1occc1B1OC(C)(C)C(C)(C)O1 2267488116 RMFHVRDWAAIPAU-JKSUJKDBSA-N 450.341 2.333 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@](C)(CNC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C1 2267550248 WYXLZKYHHHLEJQ-NRFANRHFSA-N 467.397 2.198 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CC[S@](=O)(=NC(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267588587 OBSZVVVUPACIJP-HEJPQYQCSA-N 465.381 2.286 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@H]1CC(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2268652778 WRYJRVOEKUAVFQ-CQSZACIVSA-N 467.397 2.085 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@]2(C(=O)N=c3nc(B4OC(C)(C)C(C)(C)O4)[nH]s3)CCC[C@@H]12 2268654907 FVGGEUIVJXMCQW-LRTDBIEQSA-N 464.397 2.377 30 10 JEEE C[C@@H](NC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 2281811867 KLOJFXXLMKNSRA-CVEARBPZSA-N 462.400 2.485 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(C)[C@H](C)C1CN(C(=O)OC(C)(C)C)C1 2282006414 UOVPMLHRGVTJOZ-OAHLLOKOSA-N 462.400 2.355 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1CNS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282347047 RZWXWZFCAJMLOB-QAPCUYQASA-N 481.424 2.353 30 10 JEEE Cn1cc(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 2282533685 OEDCGHAUBAENCH-OAHLLOKOSA-N 462.400 2.485 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccco2)n1 2282549113 FQQKSGXJNYHESC-OAHLLOKOSA-N 460.340 2.308 30 10 JEEE Cc1c(C(=O)N2C[C@@H](C)[C@@H](CNC(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282555021 MQWUCIMWGYDEHZ-ZBFHGGJFSA-N 462.400 2.261 30 10 JEEE Cc1c(C(=O)N2C[C@@H](NC(=O)OC(C)(C)C)C[C@@H](C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282592290 AXYUHAMULQBJII-ZBFHGGJFSA-N 462.400 2.403 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1[C@H]2C[C@H]1CN(Cc1ccccc1)C2 2282605418 GSAJGMNJSRHBIJ-OALUTQOASA-N 450.392 2.453 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)CC[C@H]1CO 2282658604 YZOFLUWCDUWLAP-QFBILLFUSA-N 460.380 2.334 30 10 JEEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)Nc1cccc(CNC(=O)OC(C)(C)C)c1 2282698288 AXNMEUDOTKJLAO-UHFFFAOYSA-N 457.340 2.391 30 10 JEEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)CO1 2283969562 JFPAPBNBDMMWAC-HIFRSBDPSA-N 465.331 2.388 30 10 JEEE Cn1nccc1[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2283975595 ZGWNGHMDDFRVAO-KRWDZBQOSA-N 457.340 2.319 30 10 JEEE CC(C)(C)OC(=O)N1CC2(CC[C@H](C(=O)Nc3ccnc(B4OC(C)(C)C(C)(C)O4)c3)O2)C1 2284052829 HQEZZVOQRLMMKT-MRXNPFEDSA-N 459.352 2.488 30 10 JEEE Cc1ccc(CNC(=O)[C@@H]2COC[C@H]2NC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2296180516 OAGQEVNHHZYYRY-IEBWSBKVSA-N 460.380 2.450 30 10 JEEE Cc1ccc(CNC(=O)C2(CNC(=O)OC(C)(C)C)COC2)cc1B1OC(C)(C)C(C)(C)O1 2296186203 MYWHRSSBIRFJCM-UHFFFAOYSA-N 460.380 2.452 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2312859881 UJZAIOGXQWWIFF-DUVNUKRYSA-N 470.422 2.333 30 10 JEEE COc1nc(O[C@@H]2COCCN(C(=O)OC(C)(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2339823587 HPLYOFYFWCUHPK-HNNXBMFYSA-N 450.341 2.404 30 10 JEEE COc1nc(O[C@H]2COC[C@@H]2CNC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2339837958 GIKIOTBITOARCW-HOCLYGCPSA-N 450.341 2.308 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1[C@H]2C[C@H](CN(c3ncccc3B3OC(C)(C)C(C)(C)O3)C2)[C@H]1CO 2358981137 NGBPMPYBAPATMI-NTDBWNAOSA-N 459.396 2.339 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2C[C@H]1CN(C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)C2 2359313399 XAMDMBLBNLWBIK-HRCADAONSA-N 458.368 2.151 30 10 JEEE CC[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2362348234 ONMJOPXOMCQIJL-CVEARBPZSA-N 462.400 2.485 30 10 JEEE CC(C)(C#C[C@@H](NN)c1cc(Br)ccc1I)S(C)(=O)=O 2365179921 QHYFSQFOJBCPTD-GFCCVEGCSA-N 471.158 2.385 30 10 JEEE CCn1cc(C(=O)N(C)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2F)nc1B1OC(C)(C)C(C)(C)O1 2369668223 ZLVIGYZQRPGIHM-GDBMZVCRSA-N 466.363 2.232 30 10 JEEE Cc1cc(CNC(=O)C2(CO)CN(C(=O)OC(C)(C)C)C2)cc(B2OC(C)(C)C(C)(C)O2)c1 2369680838 WOSXZXKUNZLUTE-UHFFFAOYSA-N 460.380 2.140 30 10 JEEE N#Cc1c(N)nc(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)c(C#N)c1-c1ccccc1 20530156 FNSXDEMUAPGMQJ-UHFFFAOYSA-N 464.532 2.452 30 10 JEEE COC(=O)c1ccc(/C=N/Nc2nnc(SCC(=O)N[C@H](C)c3ccccc3)n2N)cc1 20806130 PNXFMPSFCIVBMN-CHOFVFFHSA-N 453.528 2.194 30 10 JEEE C=CCN1C(=O)N[C@H](c2ccc(C)cc2)C2=C1CN(CC(=O)N1CCC(C(=O)OCC)CC1)C2=O 35969762 RFQNMPFKIIVTRY-HSZRJFAPSA-N 480.565 2.145 30 10 JEEE C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(=O)N1CCCc2ccccc21 65096605 YNIGKYWCRQLGFV-SFHVURJKSA-N 480.590 2.443 30 10 JEEE C#Cc1cccc(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3cnn4ccccc34)c2=O)c1 729672166 AFOXCXWQOOANIP-UHFFFAOYSA-N 450.523 2.400 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccccc2COC)CC1 1286487293 UFRNIRKLPRXNMJ-UHFFFAOYSA-N 487.564 2.086 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H](Cc2ccccc2)OC)CC1 1286493278 NATPQDNSNBEUJS-GOTSBHOMSA-N 465.598 2.396 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N(C)CC(=O)N1CCOCC1 1286567971 TZJLREMWKKJFAD-WZONZLPQSA-N 473.549 2.272 30 10 JEEE C=C(Cl)Cn1c([C@H]2CCOC2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1286628273 DMWBIWDRWJZJEZ-SCTDSRPQSA-N 451.015 2.161 30 10 JEEE C=CC1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCOCCN(C)C)CC1 1286663022 DSCXTNVCLSFXBS-UHFFFAOYSA-N 454.623 2.433 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 1286815998 DJUAIUPAWGJCNE-GOSISDBHSA-N 474.631 2.318 30 10 JEEE C=CCSCCn1c(C2CCCC2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1286831790 CVMFRCTYUIMPRL-UHFFFAOYSA-N 466.633 2.495 30 10 JEEE C[C@H]1CCCN(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCC(NS(C)(=O)=O)CC2)C1 1291127443 GHZXVXXJTVLBSG-SFHVURJKSA-N 471.631 2.067 30 10 JEEE C#CC[C@@]1(C(=O)NCc2cccc([C@@]3(C)NC(=O)NC3=O)c2)CCCN1C(=O)OC(C)(C)C 1292585061 PMTCDGGKOIVMOV-RPWUZVMVSA-N 454.527 2.150 30 10 JEEE CC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCCS2(=O)=O)CCO1 1293636252 BKLBUOHCHDWNMP-UYAOXDASSA-N 459.572 2.311 30 10 JEEE CCCN(C)C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2COCCO2)C1 1294469660 DVGIUOXDGXHTQS-RBBKRZOGSA-N 454.575 2.312 30 10 JEEE CCS(=O)(=O)N(C)CCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCO[C@@H](C#N)C1 1297731611 GAZBTKSIECBCBC-SFHVURJKSA-N 483.598 2.202 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2ccccc2OC)CCC1 1300309973 WCOGHHXLEDOWNC-GHTZIAJQSA-N 487.626 2.199 30 10 JEEE C#CCN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1300602407 DEHHOQRCGUNCIX-YLJYHZDGSA-N 459.513 2.041 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(OCC(F)(F)F)nc1 1300631456 QKRLIJZYVSEFKZ-MRXNPFEDSA-N 471.505 2.219 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccc(OC)cc2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1300655112 OQFXCISAVDRIEX-LJQANCHMSA-N 467.492 2.303 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccc3)n2Cc2ccc(C)n(C)c2=O)n1 1300681581 UPKFBDKPUXEVMC-UHFFFAOYSA-N 471.565 2.483 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(C(=O)N[C@@H](C)CC)c1 1300780485 REBBHVQNFLXFIW-HOOSLVGPSA-N 486.642 2.457 30 10 JEEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1301189166 SEDCHXDQNSIFSM-SFHVURJKSA-N 470.661 2.474 30 10 JEEE C=CCCOCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@H](C(=O)NC)C1 1301257712 DENLQYFAIUBJTI-FQEVSTJZSA-N 468.606 2.007 30 10 JEEE C=CCN(Cc1cccs1)c1nnc(Cc2csc(C)n2)n1C[C@]1(O)CCS(=O)(=O)C1 1301365795 ZIDMHYFIXKBUMB-HXUWFJFHSA-N 479.653 2.438 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H]1c1ccc(OC)c(OC)c1 1301477733 DOLICWBAWGEFEC-QGZVFWFLSA-N 456.547 2.077 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN2CCCC[C@H]2C1 1301575372 FOBHUCCSKOYOLM-INIZCTEOSA-N 483.436 2.311 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCC(Nc2cccnn2)CC1 1301587029 LGRLKECDOSQHKQ-UHFFFAOYSA-N 485.589 2.480 30 10 JEEE CC(=O)N1CCCN([C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCCCCO)C[C@H]2C)CC1 1301710589 ZKGHBDFBTAKRMT-HYBUGGRVSA-N 479.629 2.358 30 10 JEEE CCc1cnc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)s1 1305994476 DFHSUELIKOVRHE-OAQYLSRUSA-N 472.596 2.022 30 10 JEEE C#CCN(C(=O)NCCCN(C)S(C)(=O)=O)[C@@H]1CCOc2ccc(Br)cc21 1313003745 BVIBMBYIHBWXTI-MRXNPFEDSA-N 458.378 2.199 30 10 JEEE C#CCCOc1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCN(C)CC3)ccc2OC)cc1 1351457695 PRJBVFIQDFVUBV-UHFFFAOYSA-N 457.552 2.286 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2Cc2ncccc2N(C)C)c1 1358902285 JRKBZMCCARWBCB-LJQANCHMSA-N 459.554 2.348 30 10 JEEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1358923001 ZDBBWDVELSWALN-QGZVFWFLSA-N 483.598 2.337 30 10 JEEE C#CCN(c1nnc(C(C)C)n1Cc1ccc(-n2ccnc2)c(F)c1)[C@H]1CCS(=O)(=O)C1 1358955375 KTJJPPDBNZPYED-SFHVURJKSA-N 456.547 2.401 30 10 JEEE C#CCN(c1nnc(-c2ccccc2Cl)n1C[C@@H]1NC(=O)CC1(C)C)[C@H]1CCS(=O)(=O)C1 1358959093 BINWDHXYJQAKLV-YJBOKZPZSA-N 476.002 2.140 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1Cc1ccncc1Cl)[C@@H]1CCS(=O)(=O)C1 1358964677 DNZURLCVNUDRON-QGZVFWFLSA-N 477.015 2.357 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@H](C)Oc1ccccc1)[C@H]1CCS(=O)(=O)C1 1358966461 PJJZNRZTBWCEEA-SFTDATJTSA-N 482.610 2.234 30 10 JEEE C#CCN(CC#CC)c1nnc(Cc2csc(C)n2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1358996254 YCXCOTRVDVKCRS-NRFANRHFSA-N 467.643 2.039 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)O[C@H](COC)C1 1359104474 BRZGHMPBHVDJFM-STHVQZNPSA-N 450.580 2.223 30 10 JEEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)c1ccco1 1359343584 WLKRABCUXKAINU-RDJZCZTQSA-N 455.606 2.321 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(-n2ccnc2)c(F)c1 1359473606 FGRMNZSLDDTCNX-DOTOQJQBSA-N 457.535 2.149 30 10 JEEE CC(C)(C)c1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2CCS(=O)(=O)C2)cc1 1359497813 FDYCDHIBKFRCIA-PXNSSMCTSA-N 473.599 2.318 30 10 JEEE C=CCN1C(=O)c2ccc(C(=O)Nc3cnn(-c4ccccc4S(C)(=O)=O)c3)cc2C1=O 1360001892 BCDOMKQGUKVKRO-UHFFFAOYSA-N 450.476 2.310 30 10 JEEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCN(Cc3cc(OC)cc(OC)c3)C2)c1 1445617290 YRFLWVHDQWGTTM-LJQANCHMSA-N 459.568 2.172 30 10 JEEE C#CCN1CCC[C@@H](NC(=O)N2CC[C@@H](c3ccc(F)cc3)[C@@H](NC(=O)C(F)(F)F)C2)C1 1479311777 AMRKWUUZGKBGSO-QYZOEREBSA-N 454.468 2.469 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)o2)n1Cc1nccn1C(F)F)[C@@H]1CCS(=O)(=O)C1 1507626603 GKUIGCYADNSGJO-CQSZACIVSA-N 450.471 2.113 30 10 JEEE C#CCN(c1nnc(-c2ccccc2C)n1CCC(=O)N[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1507630273 VYUMCXNKSFYZJC-RTBURBONSA-N 457.600 2.185 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1c(C)nn(C)c1C 1507711193 PWBHROJLIWFWIQ-FQEVSTJZSA-N 487.605 2.071 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2cccc(NC(C)=O)c2)CC1 1507726403 IKGLXARUSVVMSJ-UHFFFAOYSA-N 477.594 2.032 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2C[C@H]2CCOC[C@@H]2OC)CC1 1507742820 QZDVXEAABXBBNW-PKTZIBPZSA-N 465.598 2.195 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1 1507844324 HYCCWAXODIJEPP-JTSKRJEESA-N 464.563 2.010 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC[C@@H](C(=O)NC)C1 1508075725 ZKKDSBQQOLJUQV-HZPDHXFCSA-N 456.616 2.396 30 10 JEEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCOCC3(CC3)C2)cc1 1508097791 VBZGIVUQCXOGBY-KRWDZBQOSA-N 461.588 2.118 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc(Br)c2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1508134084 BCKNUAUZHZTAEW-HNNXBMFYSA-N 496.431 2.365 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1508143401 GRPPTHNKRURQST-ZBFHGGJFSA-N 459.494 2.021 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](O)CC2(CCCC2)C1 1508144567 UXBYUVPVFDEUKX-HXUWFJFHSA-N 485.610 2.461 30 10 JEEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1508151362 BXEVMQYHTRSJFF-GFCCVEGCSA-N 491.565 2.179 30 10 JEEE CC(=O)N1CCC[C@@H](Cn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N(C)C[C@@H](C)C#N)C1 1508209351 BQPJRGDTMVLIAS-PKOBYXMFSA-N 487.630 2.050 30 10 JEEE CCN(CCn1c(C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C)CCC(F)(F)F 1515709894 CDEUPMAMEUSIAX-OAHLLOKOSA-N 451.501 2.238 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)o2)n1Cc1ccc(C[S@](C)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1539211587 IZACLHHIPGOOOM-CGKQSPDFSA-N 486.619 2.400 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@H](C)SC)[C@@H]1CCS(=O)(=O)C1 1539212553 QKLHPQIIIDOWRP-JKSUJKDBSA-N 464.613 2.341 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H](C)c1nc(C)cs1)[C@@H]1CCS(=O)(=O)C1 1539224476 HKQCHJDDKGKUHY-VQIMIIECSA-N 470.624 2.459 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(F)(F)C2(OC)CCOCC2)CC1 1539438260 UJZLKYNANQCLCI-UHFFFAOYSA-N 470.524 2.403 30 10 JEEE C#CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CC(C)(C)N2CCOCC2)CC1 1539461534 HAIGOJZTWVMGOS-UHFFFAOYSA-N 466.630 2.340 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2C[C@H](C(C)C)N2CCOCC2)CC1 1539482367 LVHQKNJBULEWIN-XMMPIXPASA-N 496.631 2.331 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@](C)(O)c2ccccc2)CC1 1539489169 RFHFTRQYMBIULD-SANMLTNESA-N 475.597 2.013 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1539635091 FNBTWGRFXFOKSN-NQIIRXRSSA-N 463.579 2.071 30 10 JEEE C=CCCOCCn1c([C@H]2COc3ccccc3O2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1540038196 XKIPNOMIEBZASG-OAQYLSRUSA-N 491.614 2.244 30 10 JEEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 1540858318 QQHYHGBXKUHZPY-VQTJNVASSA-N 496.033 2.400 30 10 JEEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1540863701 BYQKOYYIUZUGHK-CQSZACIVSA-N 480.367 2.053 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 1540867935 MTXYJFJJKSXIHF-GOSISDBHSA-N 453.591 2.061 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ccc(CC)cc2)C1 1540891864 ARCOGJSBTWTFJK-FCHUYYIVSA-N 489.642 2.197 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 1540908230 SEGPQACQHQUHEF-IAGOWNOFSA-N 469.608 2.081 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@H]1NC(=O)CC1(C)C 1587620417 DLCDDVOAGWIHJL-VQIMIIECSA-N 461.570 2.438 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1CCc2ccccc2C1 1587641195 YMRCFKRVXHUUFJ-WIYYLYMNSA-N 455.628 2.475 30 10 JEEE C#CCCCCn1c(-c2cccnc2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1587749869 PESFLYPMJQIWNT-UHFFFAOYSA-N 471.612 2.419 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@@H]1CCC[C@H](O)C1)[C@H]1CCS(=O)(=O)C1 1588058814 CXXPHOCXXYNITN-HOJAQTOUSA-N 460.575 2.186 30 10 JEEE C#CCN(c1nnc(Cc2ccccc2C)n1Cc1ccc(OC)nc1OC)[C@@H]1CCS(=O)(=O)C1 1588058907 FJIJEWXOGOIWSS-OAQYLSRUSA-N 495.605 2.265 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1nnc(CC)s1 1588138417 CIEZMOXAJXJIQD-MRXNPFEDSA-N 471.587 2.122 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1C[C@@H](c1cccc(C)c1)N1CCOCC1 1588171009 QSEUUJIYYXGGFC-DEOSSOPVSA-N 474.609 2.359 30 10 JEEE C#CCSCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1589036472 IOKOBQOCVHMWRL-KRWDZBQOSA-N 457.556 2.360 30 10 JEEE C=C(Br)Cn1c(-c2ccccc2OC)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1589366479 DKOXEUNWXZFEGS-UKRRQHHQSA-N 451.321 2.223 30 10 JEEE C=C(Br)Cn1c(N2CCC(NC(C)=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1589459686 BOVDXGCAAWNZFP-LJQANCHMSA-N 456.385 2.332 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 1589484634 USUZTMDHSZUDDJ-OFNKIYASSA-N 495.628 2.158 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)CC(C)C 1589545583 NVTRMTRUIWIMBD-QYZOEREBSA-N 455.625 2.075 30 10 JEEE C=CCSCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1595866699 UQOSIFRJLLFYPC-LJQANCHMSA-N 453.572 2.001 30 10 JEEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccn(-c2ccc(F)cc2)n1 1611307347 BFXFBWBJMFKOMP-DLBZAZTESA-N 471.562 2.486 30 10 JEEE Cc1nc(N2CCOCC2)sc1-c1nnc(N(CCC#N)CC2CC2)n1CC(=O)NC(C)C 1611847797 DKZHMGVSCWVCRD-UHFFFAOYSA-N 472.619 2.201 30 10 JEEE C=C(C)CONC(=O)C1CCN(c2ccc(S(=O)(=O)N(CC)CC)cc2[N+](=O)[O-])CC1 1639694903 PTTCHLAOXXZCIB-UHFFFAOYSA-N 454.549 2.466 30 10 JEEE C#C[C@@H](NC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c1ccccc1Br)C(C)(C)C 1641836212 YPOVYOBUKKZOND-HZPDHXFCSA-N 457.390 2.146 30 10 JEEE C#CCN(C(=O)NCc1nc2cc(Br)ccc2n1CC)[C@@H]1CCS(=O)(=O)C1 1680899338 GYUFWYTXURCICD-CQSZACIVSA-N 453.362 2.151 30 10 JEEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1689938467 MLVJRHRQFLUATB-UHFFFAOYSA-N 462.554 2.217 30 10 JEEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCC1(O)CCC1 1690100842 FBKCITPTJLQJQG-UHFFFAOYSA-N 450.543 2.066 30 10 JEEE C#CCN(CCOC)c1nnc(-c2c[nH]c3ccccc23)n1CCN/C(O)=C1\N=CC=CC1=O 1690101084 NQULYALHVURYJU-XTQSDGFTSA-N 459.510 2.039 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1690676107 PYJOPDRHVRZUAG-YADARESESA-N 455.559 2.160 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC[C@@H]2[C@@H]2CCCO2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1690677025 KZYJWSSOGBLYKU-HCXYKTFWSA-N 474.606 2.499 30 10 JEEE C=CCOc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC=C(C)C2)cc1 1690680723 ZQNVSJPDZGSVGH-OAQYLSRUSA-N 473.599 2.381 30 10 JEEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC(C)(C)O1 1693783621 HVYCSZHSQYPHSB-WMZOPIPTSA-N 458.588 2.102 30 10 JEEE CCc1cnc(CN(C)c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)s1 1694562109 FXGAYCZMWDGYJI-NRFANRHFSA-N 472.596 2.022 30 10 JEEE CCOC(=O)N(C)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN(C)CCOC)CC1 1695948818 HFNKQLSRJYXYEU-UHFFFAOYSA-N 469.590 2.452 30 10 JEEE CCOC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCOC[C@@H]2C)C1 1695976049 CACBYYCMYZKXBZ-RXVVDRJESA-N 467.574 2.252 30 10 JEEE COCCN(CCC#N)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H]1CCOC[C@H]1OC 1698060590 DAAITAVAZSEIEO-UIFIKXQLSA-N 457.531 2.209 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1705499943 CGWWJBTZSJSKOW-SJORKVTESA-N 479.614 2.228 30 10 JEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC2CCCCC2)CC1 1705516865 KGSNXJZTYAVGBF-JOCHJYFZSA-N 492.690 2.117 30 10 JEEE C#CCN(c1nnc(-c2ccc(F)cc2Br)n1CCOC)[C@@H]1CCS(=O)(=O)C1 1705563554 ZOBCFPOSVKZVCS-CQSZACIVSA-N 471.352 2.120 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCN(C(C)=O)C1 1705597684 NRCOYJNQNDOZRM-FCHUYYIVSA-N 498.628 2.308 30 10 JEEE C#CCN(CC#CC)c1nnc(COc2ccccc2OCC)n1C[C@@H]1CCS(=O)(=O)C1 1705602241 NBZLNXCAWQCGJU-IBGZPJMESA-N 456.568 2.153 30 10 JEEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2Cc2conc2COC)CC1 1705641835 VVJBHUZHKNHVPB-UHFFFAOYSA-N 450.543 2.010 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCc2cccc(OCC)c2)CC1 1705648168 PKLSDYGQCWNPEM-OAQYLSRUSA-N 451.571 2.389 30 10 JEEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1705890571 XDMVKNKVRKXRRG-UHFFFAOYSA-N 489.621 2.153 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 1705932614 WWBMSECEIGBKDE-INIZCTEOSA-N 464.592 2.320 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1cccc(OCCN(C)C)c1 1706877484 AVNGFNCTTCQICL-FDDCHVKYSA-N 489.646 2.007 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C(F)F)c1 1722296681 UDULPLLXIDNSMQ-YOEHRIQHSA-N 453.515 2.055 30 10 JEEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1722305996 GBLCPRWFIQRCFB-LJQANCHMSA-N 451.575 2.418 30 10 JEEE C#CCCCCn1c(N(C)CC(=O)N2CCOCC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1722323300 UAOBFIQCLITXDD-KDURUIRLSA-N 474.606 2.147 30 10 JEEE C#CCN(c1nnc([C@@H]2COc3ccccc3O2)n1CCCOCC(C)C)[C@@H]1CCS(=O)(=O)C1 1722364905 BPVVPPADZPQIQJ-KNQAVFIVSA-N 488.610 2.480 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC)nnc1N1CCN(CC(=O)NCc2ccccc2)CC1 1722509263 MOHOKTLPOUWSGO-QPPBQGQZSA-N 452.603 2.260 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1722509361 MUBPVZCVMATCQH-YLJYHZDGSA-N 465.645 2.430 30 10 JEEE C=CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1722610963 GAXFJDOABLRCQU-UHFFFAOYSA-N 470.574 2.102 30 10 JEEE C=CCNC(=O)Cn1c(N2C[C@H](C)O[C@H](c3ccccc3)C2)nnc1[C@]1(OCC)CCOC1 1722703729 FWHNRJONHJJGTH-WXVUKLJWSA-N 455.559 2.199 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccccc2OC)nnc1N1CCOC(C)(C)C1 1722731095 DHWZXZLGBQNPJY-UHFFFAOYSA-N 450.561 2.082 30 10 JEEE CCOC1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(C(=O)COC)CC2)CCCC1 1728827210 FCQXYPPKBNWATN-UHFFFAOYSA-N 452.559 2.461 30 10 JEEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCN1CCN(C)C(C)(C)C1 1740615731 JYAIBGWYCYIUDS-KDURUIRLSA-N 459.639 2.144 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1cc(F)ccc1F)[C@H]1CCS(=O)(=O)C1 1740624512 HSKGLZZPBCOEFI-IBGZPJMESA-N 457.506 2.217 30 10 JEEE C#CCN(c1nnc(COc2ccccc2OC)n1Cc1oc(CC)nc1C)[C@H]1CCS(=O)(=O)C1 1740628280 OVTBJTHUBSCDQX-SFHVURJKSA-N 499.593 2.400 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1CCN(C)CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1740628422 QENICEQHEUWELL-GOSISDBHSA-N 499.559 2.286 30 10 JEEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)C1CCCCC1 1740716966 FWFOBELWRSTOFX-SFHVURJKSA-N 455.650 2.136 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC[C@@H](S(C)(=O)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1740767466 OYHQPMXFAUZVRO-UGTOYMOASA-N 482.647 2.313 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1740774157 NASUKQHZXAWOHO-VXKWHMMOSA-N 473.643 2.484 30 10 JEEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1cccnc1OC 1740940393 DQFQARZVXMYKDR-UHFFFAOYSA-N 461.526 2.283 30 10 JEEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C2CCOCC2)CC1 1740968552 KGNKZQMZBGEBPL-UHFFFAOYSA-N 468.602 2.330 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(c2cnn(C)c2)CC1 1740993510 DIQYTCYIZSIOOK-UHFFFAOYSA-N 499.641 2.135 30 10 JEEE C=CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1741003007 NSUHLGITYYJEEM-CRAIPNDOSA-N 450.586 2.333 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OCC)CCOC3)n2C[C@H]2CCOC2)c1 1748691747 LVFVVRPGQNMSRR-NTKDMRAZSA-N 453.543 2.023 30 10 JEEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCN1C[C@H](C)O[C@@H](C)C1 1748791565 VUAULJFNRZZEIO-PMACEKPBSA-N 452.607 2.021 30 10 JEEE C#CCN(c1nnc(C2CCC2)n1CC1CN(C(=O)OC(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1748814561 GNHBQPVYHJRZPQ-GOSISDBHSA-N 463.604 2.039 30 10 JEEE C#CCN(c1nnc(Cn2ccc3ccccc32)n1CCCNC(=O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1748820615 FRZKZAHMJCOMAH-OAQYLSRUSA-N 496.637 2.070 30 10 JEEE C#CCN(c1nnc(Cc2c[nH]c3ccccc23)n1CCNC(=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1748821345 PPDSHEFBDVJRRH-LJQANCHMSA-N 496.637 2.139 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccccc2OC(F)F)CC1 1749015750 LXJBDLMNQIBGFG-UHFFFAOYSA-N 486.523 2.016 30 10 JEEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1749040200 QRNOYNIGAJGUDJ-SFHVURJKSA-N 459.583 2.007 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2cccc(C)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1749136005 KGMVGBBVBKMZFX-OFVILXPXSA-N 482.629 2.357 30 10 JEEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cc(F)ccc2F)CC1 1749413861 ZVNMPMJJFRGSGR-HNNXBMFYSA-N 454.547 2.459 30 10 JEEE C=CCNC(=O)Cn1c(N2CC[C@@H](Cc3ccc(F)cc3)C2)nnc1[C@@]1(OCC)CCOC1 1749682141 OQXQLVXMHPPOSJ-YADARESESA-N 457.550 2.441 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCC(F)(F)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1749739637 IGUUJJFCGXEBFV-GASCZTMLSA-N 475.562 2.495 30 10 JEEE Cc1cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(Oc3cccc(C#N)c3)CC2)on1 1751972857 BIFXQQOYBGLECE-INIZCTEOSA-N 485.570 2.153 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H]1CC=CCO1)[C@H]1CCS(=O)(=O)C1 1760182513 JRYUWCRKEYLNJE-SFTDATJTSA-N 483.594 2.119 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1CC1(COC)CCC1)[C@H]1CCS(=O)(=O)C1 1760191033 ZQNWHIHSDIUQFZ-SFHVURJKSA-N 463.629 2.077 30 10 JEEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@](C)(O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1760191227 CZYOUSFHBURULJ-XXBNENTESA-N 460.600 2.199 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@]1(C)COCCO1 1760216106 AHWFUKRQPWQXPQ-AREMUKBSSA-N 474.565 2.333 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ncc(CC)s2)CC1 1760262103 ZTIIQAFSRYQYMP-UHFFFAOYSA-N 455.613 2.092 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCc2ccc(OC)c(F)c2)CC1 1760269489 JQTONLAFAPEGGW-IBGZPJMESA-N 455.534 2.138 30 10 JEEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCCC2 1760346427 YVEQKNOBSFMLQZ-GBESFXJTSA-N 467.636 2.361 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1C[C@]1(OC)CCOC1 1760478946 YERKXWJPSYMXRT-XMMPIXPASA-N 450.543 2.384 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN([C@H](C)c2ccc(F)cc2F)CC1 1760522528 VPYWDQCUZPVJSG-SJORKVTESA-N 460.529 2.246 30 10 JEEE C=CCNC(=O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@H]1c1nncn1C 1760523603 CPFYNIYZNPDLAK-ZWKOTPCHSA-N 499.620 2.165 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CN(Cc3ccccc3)CCO2)C1 1760533029 AHEFJQWRNXDONW-FGZHOGPDSA-N 468.602 2.099 30 10 JEEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1760559736 SHBJMJPPNWJXTF-GOSISDBHSA-N 461.636 2.016 30 10 JEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(Cn2cccn2)CC1 1760566228 OUIMDFYYCZDCKU-SFHVURJKSA-N 450.634 2.213 30 10 JEEE CC(=O)N1CCN(CCn2c(Cc3ccc(Cl)cc3)nnc2N2CC[C@](F)(C#N)C2)CC1 1760621877 DIJONMVPUFJEHP-QFIPXVFZSA-N 459.957 2.128 30 10 JEEE C[C@H](C#N)CN(C)c1nnc(-c2ccc(Cl)cc2F)n1CCNS(=O)(=O)Cc1ccon1 1760689937 HRKIQPAFSGROPL-CYBMUJFWSA-N 481.941 2.441 30 10 JEEE COc1cc(OC)cc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@]2(N(C)C)CCSC2)c1 1768388518 CNYZVZMEGSIPBQ-KNQAVFIVSA-N 458.588 2.128 30 10 JEEE C#CCOC(=O)NS(=O)(=O)c1ccc(CNC(=O)c2ccccc2Br)cc1 1858962866 QKJPLZDRLCBFJT-UHFFFAOYSA-N 451.298 2.427 30 10 JEEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@@H]2c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 1862484559 REOXJTWCTFRRIE-OAQYLSRUSA-N 481.461 2.389 30 10 JEEE CCCCCCCCn1cc(OCC(N)=O)c(=O)cc1CN1CCN(C(=O)OCC)CC1 1870668413 YXESDEXNCICSJO-UHFFFAOYSA-N 450.580 2.347 30 10 JEEE C=CCn1cc(OCC(=O)Nc2cc(Cl)ccc2C)c(=O)cc1CN1CCN(CCO)CC1 1870725052 UBBIYJAUJIMRRA-UHFFFAOYSA-N 474.989 2.124 30 10 JEEE C#CCOc1cn(CCN2C(=O)CSC2=O)c(CNc2ccc(OC)c([N+](=O)[O-])c2)cc1=O 1871009477 XVBRMHHWSMQWHS-UHFFFAOYSA-N 472.479 2.085 30 10 JEEE CCCCCCCCN=c1nc(Nc2ccc(S(N)(=O)=O)cc2)[nH]c(N2CCOCC2)n1 1871510305 WEHPGJKORFIQGM-UHFFFAOYSA-N 463.608 2.294 30 10 JEEE CCCNC(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1ccc(Br)cc1 1874432827 ZKBAQRSTRWUYKW-ZVBGSRNCSA-N 453.366 2.177 30 10 JEEE CC(C)N1C(=O)CS[C@H](C(=O)NCCn2nc(C(F)(F)F)ccc2=O)[C@@H]1c1ccc(C#N)cc1 1889415911 CSHOCAKLYAEOIY-PMACEKPBSA-N 493.511 2.344 30 10 JEEE CN1CCN(CC#CCOC2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)CC1 1890433170 RWLLCSSJFHAOTB-UHFFFAOYSA-N 460.427 2.414 30 10 JEEE CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2124534721 JJOMKXVZMASIMB-ZDUSSCGKSA-N 454.283 2.359 30 10 JEEE CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)N1C[C@@H]2C(B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2180983800 FTUIFWHEBVBVFQ-MPGHIAIKSA-N 465.400 2.203 30 10 JEEE Cc1cc(C(=O)N(C)C[C@H](O)CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2255835304 UTORVAHPJFWBAG-CQSZACIVSA-N 454.398 2.313 30 10 JEEE CC[C@H]1[C@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)CCN1C(=O)OC(C)(C)C 2256617078 GNENHKJSXNNWIV-OLZOCXBDSA-N 452.386 2.233 30 10 JEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC(O)(CNC(=O)OC(C)(C)C)C2)c1C 2267194733 GDTXKGBWSWWLLG-UHFFFAOYSA-N 466.409 2.376 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](CO)[C@@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2267278198 ZNLBKFWGACVLDE-GJZGRUSLSA-N 466.409 2.395 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CN(S(=O)(=O)c3ccccc3B3OC(C)(C)C(C)(C)O3)C[C@@H]21 2267373461 DHFXLVNSKHPSNL-JLVBRIDZSA-N 464.393 2.129 30 10 JEEE CCO[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1NC(=O)c1ccoc1B1OC(C)(C)C(C)(C)O1 2267555914 SYCVMXGCARCBJI-OAGGEKHMSA-N 450.341 2.379 30 10 JEEE Cc1c(C(=O)N2C[C@@H]3CC[C@@]3(NC(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281806496 KFYNQTAODBOYQG-NPMXOYFQSA-N 460.384 2.157 30 10 JEEE CC(C)(C)OC(=O)NC[C@@]12CN(C(=O)c3coc(B4OC(C)(C)C(C)(C)O4)c3)C[C@H]1CCO2 2281817551 NRJGJKHFLWVYGY-WAIKUNEKSA-N 462.352 2.335 30 10 JEEE Cn1ncc(C(=O)N2CC3(CCC[C@@H]3NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2281825894 CJKQUCRGQQHWSG-INIZCTEOSA-N 460.384 2.239 30 10 JEEE CC(C)(C)OC(=O)N1CCC([S@](C)(=O)=NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CC1 2281929458 YKIRRCBDASQZAX-XIFFEERXSA-N 482.412 2.346 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C1 2282045669 ZZDAPNYWKSFEDZ-CVEARBPZSA-N 460.384 2.048 30 10 JEEE CC1(C)OB(c2cnc(C(=O)NC[C@@H]3CCCCN3C(=O)C(F)(F)F)c(F)c2)OC1(C)C 2282050395 LWUODILBGXNUTD-ZDUSSCGKSA-N 459.249 2.193 30 10 JEEE CO[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2282190637 RMSMYMUMOKMVRF-SJORKVTESA-N 461.368 2.135 30 10 JEEE CC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C 2282544767 UMOSOMUNLZILPC-MRXNPFEDSA-N 462.400 2.499 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C 2282581699 LHQIEUNBVLTMRH-CVEARBPZSA-N 462.400 2.435 30 10 JEEE C[C@@H]1CN(C(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)C[C@H]1CCNC(=O)OC(C)(C)C 2282584057 BAXXJJKVISLEPY-HZPDHXFCSA-N 462.400 2.342 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CC2(CC2)C1 2282610861 CSKMCTQVTZWMGI-UHFFFAOYSA-N 458.368 2.249 30 10 JEEE Cn1nc(C(=O)N[C@@H]2C[C@H]3CC[C@H]2N(C(=O)OC(C)(C)C)C3)cc1B1OC(C)(C)C(C)(C)O1 2282629513 WTAIOAVHUFNEEJ-BFYDXBDKSA-N 460.384 2.237 30 10 JEEE N#Cc1ccc(N2C[C@@H](C(N)=O)[C@@H](C3CCN(C(=O)N4CCOCC4)CC3)C2)cc1C(F)(F)F 2297650971 WWCOCZKXPVLFPW-RTBURBONSA-N 479.503 2.279 30 10 JEEE COc1ccc(CCc2nnc(SCC(N)=O)n2N=Cc2cccc(OC)c2O)cc1OC 2326193875 WUGQPYBPEDAKHM-UHFFFAOYSA-N 471.539 2.254 30 10 JEEE C#CCOC(=O)NS(=O)(=O)c1ccc(CCNC(=O)C=Cc2cc(OC)ccc2OC)cc1 2331018124 XDDZQUAKIVNPGR-UHFFFAOYSA-N 472.519 2.124 30 10 JEEE CC(=O)O[C@@H]1[C@@H]2O[C@@]23[C@@H]2CC[C@@]4(O)C[C@@H](O)CC[C@]4(C=O)[C@H]2CC[C@]3(C)[C@@H]1c1ccc(=O)oc1 2333324411 RDQNOOHJEOAAIW-JYIPBAFSSA-N 472.534 2.094 30 10 JEEE CC(C)(C)OC(=O)NC[C@](CF)(C(=O)O)N1C[C@@H](NC(=O)C(F)(F)F)CC[C@@H]1C(F)(F)F 2351153739 ODAXVNDWBSZALK-FEUHOPSXSA-N 483.381 2.378 30 10 JEEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)[C@@H]2CCC[C@@H]21 2367687112 OITNOFHTYDBYFX-SJORKVTESA-N 458.368 2.390 30 10 JEEE N#C/C(C(=O)NCc1ccco1)=c1\s/c(=C/c2cccc([N+](=O)[O-])c2)c(=O)n1-c1ccccc1 27460953 CWHKWAQUQPKSTR-RXKXMJEYSA-N 472.482 2.220 30 10 JEEE O=C(CSc1n[nH]c(N/N=C/c2ccc([N+](=O)[O-])cc2)n1)NCc1ccc2c(c1)OCO2 58993521 FRTCQTHSSPVOLY-ZVBGSRNCSA-N 455.456 2.296 30 10 JEEE COc1ccc(O)c(/C=N/Nc2nc(SCC(=O)Nc3ccc4c(c3)OCCO4)n[nH]2)c1 58997807 KZOBHOVMKMSSLR-UFFVCSGVSA-N 456.484 2.467 30 10 JEEE CCOc1ccccc1NC(=O)CSc1n[nH]c(N/N=C/c2c(C)nn(CCO)c2C)n1 59887676 PJDCRCSLKNLHKD-SRZZPIQSSA-N 458.548 2.186 30 10 JEEE C=CCNC(=O)CN1CCN(C(=O)c2cc(Br)ccc2I)CC1 323076080 QACWMRNGJHLJJS-UHFFFAOYSA-N 492.155 2.114 30 10 JEEE C=CCN(CC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1)Cc1cccc([N+](=O)[O-])c1 521088291 AZVWADDVKBVTPZ-HSZRJFAPSA-N 480.521 2.094 30 10 JEEE C#CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N(C)[C@H](C)CS(C)(=O)=O 1286349485 YATBIICNDZJWLK-QGZVFWFLSA-N 470.599 2.348 30 10 JEEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1cccc(CN(CC)CC)c1)[C@H]1CCS(=O)(=O)C1 1286390005 VBALFJCTWUZWFY-QHCPKHFHSA-N 495.653 2.195 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1Cc1ccccc1F)[C@H]1CCS(=O)(=O)C1 1286395355 ZYIVVDAITICVBK-SFHVURJKSA-N 459.572 2.448 30 10 JEEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H](C)N(C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1286398354 JGFUAJZGBFMNKG-SESVDKBCSA-N 457.600 2.281 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CCCOC2)n1CCOc1ccc(S(C)(=O)=O)cc1 1286431893 SIMNOJANXBTWOK-IBGZPJMESA-N 456.568 2.118 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2[C@H]2C[C@H](c3ccccc3Cl)C2)CC1 1286470839 DKFQUYMINZXUIR-BZSNNMDCSA-N 477.034 2.416 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2CCC(=O)NCCC)CC1 1286489788 BZQWOBIUKXHPRT-UHFFFAOYSA-N 489.580 2.482 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(OC)cc3)n2CCN2CCC[C@@H]2C)CC1 1286494067 ZBKHLNIQJLSJQE-FQEVSTJZSA-N 480.613 2.316 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1286550964 KHWULCJUBPKDIL-HBMCJLEFSA-N 470.599 2.316 30 10 JEEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1csc(CC)n1 1286582122 RHWTWFXOKHGWPD-INIZCTEOSA-N 454.622 2.081 30 10 JEEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1286779556 JIXBHQPLACUCHM-HOCLYGCPSA-N 460.922 2.015 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1286783108 GXLAOVRWHVXMCQ-LJQANCHMSA-N 465.562 2.007 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2C[C@@H]2CCOC[C@@H]2OC)c1 1300332702 LGWDCIOYYYSBMV-UGKGYDQZSA-N 462.554 2.391 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCn1cccn1 1300578878 JHAJJXDADPKEQV-UHFFFAOYSA-N 454.538 2.425 30 10 JEEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1CC1(C(=O)N(C)C)CCCC1 1300590495 CJTWBDWHSRBFOH-UHFFFAOYSA-N 466.611 2.381 30 10 JEEE C#CCN(CCOC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1CCC[C@@H](O)C1 1300647774 ABWZNAZPCWBNKI-AZUAARDMSA-N 459.978 2.499 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccccc2Br)n1Cc1cn(C2COC2)nn1 1300665687 NQXBCKYWWVTUNB-UHFFFAOYSA-N 472.347 2.005 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2c(C)nn(C)c2C)CC1 1300685191 JCRQUCQLRQOBAZ-UHFFFAOYSA-N 457.380 2.190 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)CC1 1300725646 IXENWLOSDMXMCO-FQEVSTJZSA-N 482.604 2.316 30 10 JEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1301611734 GOJBDPZPXOTGQM-KRWDZBQOSA-N 492.627 2.334 30 10 JEEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CC1CCN(C(C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1358957787 AHRPRWBUXQIPFU-OAQYLSRUSA-N 490.029 2.484 30 10 JEEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccc(OC(F)F)cc1)[C@H]1CCS(=O)(=O)C1 1358964324 XIHWTERQUJBCLN-IRXDYDNUSA-N 466.510 2.058 30 10 JEEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1358983941 BNZAZZVDBUMCLK-OAQYLSRUSA-N 482.610 2.034 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2OC)n1C[C@H](C)CN1CCOCC1 1358989960 VSWUIIYPBNHGNF-HXUWFJFHSA-N 451.571 2.394 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1CC1(S(C)(=O)=O)CCCC1 1358992209 DYXFYUGNLFZOKS-UHFFFAOYSA-N 478.578 2.414 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2CCNC(=O)c2cccc(OC)c2)CC1 1359037493 LLVGTIZBZRLVGT-UHFFFAOYSA-N 464.595 2.124 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(OCC)c(OC)c2)CC1 1359044483 HDRWGKCAUMDMQB-HXUWFJFHSA-N 467.570 2.203 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCn2cc(C)cn2)CC1 1359047467 HWOGDWBKKPVQJJ-NHCUHLMSSA-N 467.618 2.368 30 10 JEEE C#CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1359061175 TZSLZXDAHWCHIM-DEOSSOPVSA-N 498.609 2.047 30 10 JEEE C=C(C)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1359123355 ANPHLEZWPBBMJW-UHFFFAOYSA-N 454.575 2.222 30 10 JEEE C=C(C)COCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC[C@@H](CC(N)=O)C1 1359131169 JWLFSYCEVRUQII-SFHVURJKSA-N 479.585 2.359 30 10 JEEE C=CCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1359216241 RUCJFNNUOIBNOR-OAQYLSRUSA-N 454.575 2.403 30 10 JEEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 1359221480 CQRDPSHSBZHIGN-GOSISDBHSA-N 462.595 2.458 30 10 JEEE C=CCCOCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1359224022 DFXWVMLNIGGSMB-HYBUGGRVSA-N 477.613 2.398 30 10 JEEE C=CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@](C)(O)CC 1359282157 RYWZDTZAYXTEKL-VGOFRKELSA-N 453.584 2.386 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCN(c2ccc(F)cc2)CC1 1359333659 FWGJDAPGEUKWHL-UHFFFAOYSA-N 470.574 2.330 30 10 JEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1 1359343046 LBQYGSRMODYMEM-IERDGZPVSA-N 466.604 2.336 30 10 JEEE C=CCC[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1)C(=O)OCC 1449697686 OZLUNHPYMXWZCR-HXUWFJFHSA-N 450.557 2.304 30 10 JEEE CC(=O)N[C@@](C)(C(=O)N1CCC(c2ccc(C#N)cn2)CC1)c1ccc(S(C)(=O)=O)cc1 1470343306 OHMLGPNGZXNJMX-HSZRJFAPSA-N 454.552 2.114 30 10 JEEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C(F)F)c1 1475359916 KZWFGLVSCQPRNG-INIZCTEOSA-N 459.515 2.478 30 10 JEEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCSC2)C1 1502468725 DJEHCZOOLIFSOJ-PKOBYXMFSA-N 460.629 2.478 30 10 JEEE CNS(=O)(=O)CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC(CC#N)CC1 1503839647 DDNKIGMIPSSKRA-UHFFFAOYSA-N 495.650 2.072 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1507518409 LPVSRRRBAWKJNX-AXHZCLLHSA-N 454.575 2.057 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CCCN2C[C@H](C)O[C@@H](C)C2)c1 1507549386 GOXDEMFASIGZFQ-PMACEKPBSA-N 490.612 2.234 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1507621819 CXEDCYUCSOSMQR-UXHICEINSA-N 487.626 2.186 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@H]1OCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1507628468 WUOFHUAXULIDOH-AZUAARDMSA-N 458.584 2.396 30 10 JEEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1Cc1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 1507629227 RNGMEEKIWNOORS-MRXNPFEDSA-N 462.938 2.146 30 10 JEEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@@](C)(O)CCC(C)C)[C@@H]1CCS(=O)(=O)C1 1507634015 HXSUBGQKFLQDFY-KNQAVFIVSA-N 479.672 2.448 30 10 JEEE C#CCN(c1nnc(CC(C)C)n1C[C@H](c1cccs1)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1507635537 WWWAXVVQPCLXOE-WOJBJXKFSA-N 491.683 2.238 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)[C@H](C)[C@@H](C)O2 1507710528 HPTZWPAEUUMQJU-ZHALLVOQSA-N 458.584 2.199 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@@H](C)N2CCc3ccccc32)CC1 1507741326 PULJZSINWKWGAG-LJQANCHMSA-N 450.587 2.232 30 10 JEEE C=C(Br)Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 1507782398 DJDXDJSWAJCSPH-HNNXBMFYSA-N 487.424 2.059 30 10 JEEE C=CCN(Cc1cccs1)c1nnc(Cn2nc(C)cc2C)n1CC(=O)N1CCOCC1 1508011453 RSCXFDGBIFGERF-UHFFFAOYSA-N 455.588 2.253 30 10 JEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1508059330 SGNHKXQLOBABDX-PMACEKPBSA-N 487.605 2.491 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC(N(C)C(C)=O)CC1 1508075597 XMOLGRPEXUFCCY-UHFFFAOYSA-N 460.966 2.356 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1508093263 HRVRYEURMWMWRK-HOYKHHGWSA-N 455.559 2.106 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@@H](c3nnc(C)o3)C2)cc1 1508096670 IROWVRPZQOCKTK-LJQANCHMSA-N 467.530 2.299 30 10 JEEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCOC[C@H](C2CCC2)C1 1508143468 LDGCSHHKRUCRSV-GOSISDBHSA-N 493.655 2.123 30 10 JEEE C=CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1508150037 GZSMIHDJETYWDO-KRWDZBQOSA-N 492.671 2.172 30 10 JEEE CC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cnn(C)c2)CCN1CCOC 1514176350 AYEYWHUJZKPJLJ-NRFANRHFSA-N 464.574 2.058 30 10 JEEE COC(=O)N1CCC(Cn2c(CC(C)C)nnc2N2CCN(c3nccnc3C#N)C[C@H]2C)CC1 1517699391 FMGLCRPWCRBZNA-GOSISDBHSA-N 481.605 2.332 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC[S@@](=O)CC)CC1 1539468754 IJBGDLDNZUIZSD-JSRFKQPZSA-N 475.590 2.292 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2Cc2nnc(CC)s2)CC1 1539489895 ZQZDBDNFIWQNJM-UHFFFAOYSA-N 479.610 2.328 30 10 JEEE C=CCN(C(=O)Nc1cccc(N(CC(N)=O)Cc2ccccc2)c1)[C@H]1CCS(=O)(=O)C1 1562355374 YHRQDALDVCKRJD-NRFANRHFSA-N 456.568 2.386 30 10 JEEE Cc1nnc([C@@H]2Cc3ccccc3CN2C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)o1 1586490949 FNANXBCXGIBBCP-VLIAUNLRSA-N 451.508 2.243 30 10 JEEE CC(=O)N1CCc2c(sc(NC(=O)c3cc(I)nn3C)c2C#N)C1 1588070654 ZFWSIHLYDYUDGC-UHFFFAOYSA-N 455.281 2.115 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(C)(C)COC 1588194433 WFPGPBAXXBNKLT-UHFFFAOYSA-N 457.600 2.331 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H](C)N(C)C2CC2)CC1 1588954796 LXCHPKMHVZFBCD-INIZCTEOSA-N 455.632 2.082 30 10 JEEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1589059246 CUESSQPZEBWDRA-VQTJNVASSA-N 460.648 2.019 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cnccn2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1595094038 KXZFXLOJIFCYHG-HXUWFJFHSA-N 478.582 2.081 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1CCC[C@H](C)C1 1595302812 FHOFMLIYPWVSMN-RBUKOAKNSA-N 453.653 2.330 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN(c2ccc(C(C)=O)cc2F)CC1 1595812383 RJOLKUSPPUAXRD-UHFFFAOYSA-N 475.590 2.500 30 10 JEEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](C)O[C@@H](COC)C1 1689932289 WWWAVIPKPFVDBR-OTWHNJEPSA-N 463.579 2.240 30 10 JEEE C#CCN(c1nnc(-c2cc3ccccc3o2)n1CCNC(=O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1689981869 COEVUKCCJYZKPV-GOSISDBHSA-N 469.567 2.090 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCCN1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1689989574 GYGUJIKKCKFNEQ-YADHBBJMSA-N 477.675 2.311 30 10 JEEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1cccc(NC(=O)OC)c1)[C@H]1CCS(=O)(=O)C1 1689990886 SVMMQTDMJXMXLK-ICSRJNTNSA-N 487.582 2.025 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cc(Br)c[nH]3)n2CC2(O)CCC2)n1 1690108068 NYKCBRIVXHURNL-UHFFFAOYSA-N 488.390 2.433 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCC2(OC)CCC2)CC1 1690152332 HRXLATVBEIZNRN-UHFFFAOYSA-N 453.591 2.065 30 10 JEEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1690160106 XHZNMSRXTWFHRI-PGRDOPGGSA-N 471.627 2.486 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2cnn(C)c2)CC1 1690236358 LUMBGLAUIRVQHR-WIYYLYMNSA-N 470.622 2.238 30 10 JEEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 1690308554 RRWALNGYAIGLII-FQEVSTJZSA-N 477.635 2.102 30 10 JEEE C=CCC(C)(C)Cn1c(COc2cc(C)ccc2C)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1690437787 PAFRWJZBWMPHTR-IBGZPJMESA-N 466.586 2.223 30 10 JEEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1ccc(C)o1 1690508334 GSLIQYMHWIPAPX-AZUAARDMSA-N 479.603 2.447 30 10 JEEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC(CN2CCOCC2)CC1 1690675425 ZZXHOGLLLSZIRX-UHFFFAOYSA-N 482.629 2.325 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(Br)cc2)nnc1N(C)C[C@H]1CCOC1 1690675852 HLJTUYLLXNOVBE-OAHLLOKOSA-N 464.364 2.395 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@](C)(O)c2cccc(Cl)c2)C1 1690686196 KPAGNRSRWMTBOP-FQELHTAISA-N 484.022 2.231 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1690725008 BGZRDBBNTKHYQO-UHFFFAOYSA-N 495.584 2.202 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1690731249 FPDAGYKSSZJFGP-AJYBTWMASA-N 479.647 2.045 30 10 JEEE CCn1cccc(Cn2c(-c3ccc4c(c3)OCO4)nnc2N(CCC#N)CCOC)c1=O 1695790528 GIEZTORXCWJIEX-UHFFFAOYSA-N 450.499 2.270 30 10 JEEE COc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@](C)(C#N)C2)cc1OC 1697440902 HEPPLBAWWMHDIN-YCRPNKLZSA-N 462.576 2.084 30 10 JEEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@](C)(O)C(C)C)C[C@@H]1C 1698096411 GDWCLYFOLUQPPJ-CYFREDJKSA-N 456.591 2.293 30 10 JEEE C#CCCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1705521118 QRRXTRQVERVWIF-UHFFFAOYSA-N 451.980 2.396 30 10 JEEE C#CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CCCn1cc(CO)nn1 1705556388 AEHPPCRUGGDDSB-UHFFFAOYSA-N 450.330 2.407 30 10 JEEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@@H](C1CC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1705570804 RDEORXYNQZNCAH-UWJYYQICSA-N 477.581 2.114 30 10 JEEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@](C)(O)c1ccccc1 1705628623 LTOXPAFPXFXKNK-SANMLTNESA-N 475.597 2.446 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2CCN2CCCC2)CC1 1705651274 QFNZWCSKBUEFKD-UHFFFAOYSA-N 454.550 2.058 30 10 JEEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 1705689867 BRXIYBOANXJWAM-UHFFFAOYSA-N 487.402 2.333 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C2CCCC2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1705699541 IKVOLLYMYPAPMI-UXHICEINSA-N 458.607 2.090 30 10 JEEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C[C@H](c1cccs1)N1CCOCC1 1705747879 XAJJRPROZURBFT-JKSUJKDBSA-N 489.067 2.212 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1705905633 BNXKNPMUIYCQIK-HKUYNNGSSA-N 469.590 2.306 30 10 JEEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1705939257 BQIAAGARFNSEQP-UHFFFAOYSA-N 450.609 2.348 30 10 JEEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](CN2CCCCC2)C1 1705946615 MLGYZHKTFDSHHP-MOPGFXCFSA-N 453.678 2.412 30 10 JEEE CNC(=O)[C@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1CCc1nnc2n1CCCCC2 1711312568 GGPVCFNBSWFAFV-GOSISDBHSA-N 491.600 2.108 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@]1(O)CCS(=O)(=O)C1 1722283537 VPTNMJSVZRJHGV-KZULUSFZSA-N 487.807 2.369 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H](C)c1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1722359101 PXZHFAGLMGGANX-UYAOXDASSA-N 457.600 2.155 30 10 JEEE C#CCN(c1nnc(-c2ccc(C)c(Br)c2)n1CCOC)[C@H]1CCS(=O)(=O)C1 1722359313 LKFDHFKXPWTXOA-INIZCTEOSA-N 467.389 2.289 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2cccnc2OCCOC)CC1 1722441380 LVGMNJOPUBRBTO-FGZHOGPDSA-N 482.629 2.420 30 10 JEEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1722462855 PRXYSAVRHBWMSP-UHFFFAOYSA-N 459.645 2.338 30 10 JEEE C=CCC(C)(C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1722587776 ABEFTAWUJXSFAY-UHFFFAOYSA-N 484.008 2.460 30 10 JEEE C=CCn1c(-c2cc(OC)ccc2Br)nnc1N(C)CC(=O)N1CCOCC1 1722683233 HXPCYSGBFHNFIU-UHFFFAOYSA-N 450.337 2.197 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1722694337 SQAUJMPDNGJHOW-KRWDZBQOSA-N 489.418 2.168 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 1722694786 IGYDQVKRYMTKGF-KRWDZBQOSA-N 498.584 2.370 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@H]2CCOC2)C1 1722716653 XJYJBZLCDUPJIG-MJGOQNOKSA-N 461.588 2.013 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](c2cccc(F)c2)C1 1722729146 XAIADIHJBVYHDJ-ICSRJNTNSA-N 464.563 2.490 30 10 JEEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(CCc2ccccc2)n1CCCC(=O)N(C)C 1726641293 COPKISMMWAZGLB-HXUWFJFHSA-N 487.612 2.308 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCOC[C@H]1CCCO1 1740547239 QVPMWGGNDCWBNX-ZWKOTPCHSA-N 450.543 2.236 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1coc(-c2ccc(C)cc2)n1 1740554393 YXVDTZBKSBSAFH-PXNSSMCTSA-N 484.582 2.081 30 10 JEEE C#CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1740586479 CECLQKDIHOBDHO-FQEVSTJZSA-N 466.542 2.142 30 10 JEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC(=O)NC2CCCC2)CC1 1740592376 WPXJIRNEDULLGN-IBGZPJMESA-N 461.632 2.259 30 10 JEEE C#CCCCn1c(COc2ccc(OC)cc2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1740595524 GHQLCRPBFLDHFK-UHFFFAOYSA-N 467.570 2.354 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](C)N2CCC[C@@H](C)C2)CC1 1740705112 CFCIOPKDRCQDJX-KCZVDYSFSA-N 456.635 2.258 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2Cc2ccc(C)n(C)c2=O)CC1 1740708522 SERAQSZTVVZFQJ-UHFFFAOYSA-N 472.593 2.085 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(Cn2cccn2)c1 1740724860 IVSZVTRHGHVSSU-FDDCHVKYSA-N 467.599 2.174 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1CC(=O)N(CCOC)C1 1740727533 PGIUUBMKDHEKJL-IQGLISFBSA-N 467.570 2.449 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1(O)CCS(=O)(=O)CC1 1740735578 VGAIMYZIEYMIGD-JBYIUTFZSA-N 464.632 2.129 30 10 JEEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1740747764 VKUBPIVGIDSPBN-XOBRGWDASA-N 481.395 2.413 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1740966910 YSZJJNBAKBOIOH-RTCJPFEHSA-N 461.607 2.273 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1 1740990011 GBLSCUOYCCSLKS-UHFFFAOYSA-N 489.001 2.490 30 10 JEEE CCNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC[C@@H]2OC)CC1 1746531201 BVCQWOJAOBZDKC-CTNGQTDRSA-N 467.574 2.395 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccccc1OC)N1CCCC1 1748640431 VBGZGOMYSIHUJF-NSHGMRRFSA-N 474.631 2.192 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1Cc1csc(C)c1)[C@@H]1CCS(=O)(=O)C1 1748802639 QNYZZVVEWGJIAB-GOSISDBHSA-N 463.629 2.241 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1CC(=O)Nc1c(C)cccc1C)[C@@H]1CCS(=O)(=O)C1 1748812627 YHKSSYVDIFCKAG-LJQANCHMSA-N 478.578 2.222 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(OC)c(O)c1 1748860731 ZQWXHFVYYHPZIY-LJQANCHMSA-N 481.553 2.422 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H](c2cccc(F)c2)N(C)C)CC1 1749009198 GEAFBARNAAZPFC-UNMCSNQZSA-N 468.577 2.190 30 10 JEEE C=C(Br)Cn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@H](CNC(C)=O)C1 1749098249 UDXUHJSFWGMVJO-AWEZNQCLSA-N 465.352 2.267 30 10 JEEE C=C(C)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1749200873 ZYGRWZFIOMEOKH-DEOSSOPVSA-N 452.559 2.463 30 10 JEEE C=C(C)COCCn1c(-c2ccccc2F)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1749220482 JBBURYXLBMHYRO-QHCPKHFHSA-N 456.522 2.491 30 10 JEEE C=CCCOCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1749455380 UARNCSDRYAPOES-KRWDZBQOSA-N 458.588 2.489 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2CC[C@@H](N2CCOCC2)C(F)(F)F)C1 1749707117 USFVMPBWIUQIKW-ZWKOTPCHSA-N 469.512 2.113 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC(C(=O)NC)CC1 1749727229 QJTFLAVOJLOOEM-UHFFFAOYSA-N 482.006 2.170 30 10 JEEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 1749754612 PEXMBCOVDSLYFM-HOTGVXAUSA-N 459.572 2.219 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCNc1nccc(C(F)(F)F)n1 1760127258 URUVDZMPAXFTMX-DZKIICNBSA-N 453.469 2.381 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CSCCS1)[C@H]1CCS(=O)(=O)C1 1760182275 DULGOAAUOKUFPN-OALUTQOASA-N 473.649 2.292 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CC1(O)CCC1)[C@H]1CCS(=O)(=O)C1 1760184383 WPCXLSLMHUTWOQ-IBGZPJMESA-N 488.610 2.283 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(Br)c2)n1Cc1cn(C2COC2)nn1 1760199563 ZRXTVHXLBDZFGR-UHFFFAOYSA-N 482.342 2.000 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H](C)N1CCC[C@H](C)C1 1760200408 GZMZFHRLWBWJNF-VQTJNVASSA-N 457.582 2.385 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H](CC)NC(=O)OC(C)(C)C)CC1 1760251536 BZEGBQKSGRPBEH-LJQANCHMSA-N 475.638 2.255 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@](C)(O)CCOC)CC1 1760267169 ICOYVWIUKXLEJC-RUZDIDTESA-N 453.587 2.261 30 10 JEEE CC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](C(=O)NC)C1)NC(=O)OC(C)(C)C 1764224477 AXCAXNUFJMQTKW-OALUTQOASA-N 483.573 2.071 30 10 JEEE O=C(ON1C(=O)c2ccccc2C1=O)C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C(=O)N(Cc5ccccc5)C(=O)[C@H]43)[C@@H]12 1772789209 BNZROLRRLQHSEZ-SOXBMFEASA-N 468.465 2.220 30 10 JEEE C=CCN(CC=C)C(=O)[C@H](Cc1ccc(OC(C)=O)cc1)NC(=O)c1cccn(CC)c1=O 1862016807 IQKBMJNDCDBNRV-QFIPXVFZSA-N 451.523 2.335 30 10 JEEE CC(=O)Nc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(CCCN3CCOCC3)C2=O)cc1 1863187192 FJRDEAMUPVKRDV-UHFFFAOYSA-N 473.533 2.431 30 10 JEEE CCOC(=O)c1ccccc1NC(=O)[C@H](CO)NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1 1866865772 AIUUACNTWRXBBP-PMACEKPBSA-N 484.578 2.317 30 10 JEEE CC(C)C[C@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 1869929461 HRIGMJNSKWWARJ-FQEVSTJZSA-N 498.605 2.213 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)Nc2ccc(OC)cc2OC)cn1C[C@H](C)O 1870391485 MEJDADXGSHHCML-SFHVURJKSA-N 471.554 2.438 30 10 JEEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NC)cn1CCc1ccc(OC)c(OC)c1 1870566626 JQSQASYBUXJAAL-UHFFFAOYSA-N 455.555 2.407 30 10 JEEE C=CCOC(=O)c1sc(NC(=O)COc2nonc2CC(=O)NCCc2ccc(C)cc2)nc1C 1872649341 VCGZWBWQOKLJIC-UHFFFAOYSA-N 499.549 2.405 30 10 JEEE CCOc1ccc(/C=N/Nc2cnn([C@@H]3CCS(=O)(=O)C3)c(=O)c2Br)cc1 1873527429 YZGFBFMKPSDGRU-VDLQQMNMSA-N 455.334 2.210 30 10 JEEE CCN(CC)C(=O)CSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1ccc(O)cc1O 1874335380 OFTNYYLEPOTURU-IMQYADFFSA-N 474.587 2.256 30 10 JEEE O=C[C@H]1CCCN1C(=O)c1cc(I)cc(I)c1O 2029141510 AMLBUYCQMXHGID-MRVPVSSYSA-N 471.032 2.405 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)NCCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2180985334 ONTTUGYHKUVGFT-MOPGFXCFSA-N 460.380 2.015 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ccsc2B2OC(C)(C)C(C)(C)O2)[C@H](O)C1 2255642962 NUYORTNYFSIEBT-LSDHHAIUSA-N 452.382 2.147 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC(NC(=O)OCc2ccccc2)CC1 2255648097 INKWGHMEDUNMEK-UHFFFAOYSA-N 468.363 2.250 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](CO)[C@@H](NC(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2266993688 KUIAEASNKOAVLF-YOEHRIQHSA-N 466.409 2.395 30 10 JEEE CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)oc1C 2267005970 PTZQGWRSZDVMGH-HOTGVXAUSA-N 450.341 2.251 30 10 JEEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1C[C@H]2[C@H](NC(=O)OC(C)(C)C)[C@H]2C1 2267353305 PSMZINIFHPEQSD-HALDLXJZSA-N 484.449 2.499 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCOC[C@@H]1NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2267368919 PYYRMDLQXQAHMD-CABCVRRESA-N 488.437 2.008 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1CCN(CC(=O)NCc2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2268638430 SXDHONJHVWGFAT-HNNXBMFYSA-N 465.425 2.263 30 10 JEEE CC(C)(C)OC(=O)N1CCO[C@@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2F)C1 2281788510 BRPOBRVLOYAYLX-INIZCTEOSA-N 464.343 2.491 30 10 JEEE Cn1ncc(C(=O)NC[C@@H]2N(C(=O)OC(C)(C)C)CCC2(C)C)c1B1OC(C)(C)C(C)(C)O1 2281814707 MWNIYFYHXDRNNE-INIZCTEOSA-N 462.400 2.485 30 10 JEEE Cc1ccnc(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)c1B1OC(C)(C)C(C)(C)O1 2282003601 DGYPISPBDHFHIJ-MRXNPFEDSA-N 461.368 2.055 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(CCNC(=O)OC(C)(C)C)CC1CC1 2282056914 ZFJKBFPAYHLNEJ-UHFFFAOYSA-N 462.400 2.405 30 10 JEEE CC1(C)OB(c2scnc2CS(=O)(=O)N2C[C@@H]3[C@H](CCN3Cc3ccccc3)C2)OC1(C)C 2282493028 RGYWCERGFQMIIR-UYAOXDASSA-N 489.472 2.478 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1S(=O)(=O)N1CCOCCN1C(=O)OC(C)(C)C 2282507812 MLYDEPRVWJKQJJ-UHFFFAOYSA-N 482.408 2.467 30 10 JEEE CC(C)(C)OC(=O)N1CC(C[S@](C)(=O)=NC(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)C1 2282515302 PPMDHKGILNKKQF-XIFFEERXSA-N 479.408 2.486 30 10 JEEE COc1ccc(C(=O)NC2(CNC(=O)OC(C)(C)C)COC2)cc1B1OC(C)(C)C(C)(C)O1 2282523616 AMQZJLJCFHAXCI-UHFFFAOYSA-N 462.352 2.018 30 10 JEEE CS[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C 2282546581 MTBMSILOOCVHNH-GJZGRUSLSA-N 480.440 2.108 30 10 JEEE Cn1cc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)CC2(F)F)nc1B1OC(C)(C)C(C)(C)O1 2282550734 CPFFDESFJAWOIM-AWEZNQCLSA-N 470.326 2.094 30 10 JEEE Cn1ncc(C(=O)N2[C@H]3CC[C@H]2CN(C(=O)OC(C)(C)C)CC3)c1B1OC(C)(C)C(C)(C)O1 2282573992 IPDOASIQMJFNBU-HOTGVXAUSA-N 460.384 2.333 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2C[C@@H]3[C@@H]2CCN3C(=O)OC(C)(C)C)n1 2282589340 MNQSFDRNVZFEQN-DJIMGWMZSA-N 460.384 2.330 30 10 JEEE CC1(C)OB(c2c[nH]c(C(=O)N3CCC[C@@H]4CC[C@@]43CNC(=O)C(F)(F)F)c2)OC1(C)C 2282636224 JWRJYCYDKKWZMF-ZUOKHONESA-N 455.286 2.377 30 10 JEEE COc1ccc(C(O)=C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccncc2)cc1OC 2296930201 GKQKCDBZFAWSIF-JOCHJYFZSA-N 467.522 2.243 30 10 JEEE COc1ccc(-n2cnc(I)c2I)c(C#N)n1 2300185940 WPZPMTUEBFMAKT-UHFFFAOYSA-N 451.993 2.357 30 10 JEEE COc1ccc(NC(=O)CSc2n[nH]c(=NN=CC=Cc3ccccc3)n2N)cc1OC 2313701683 ZODACMNVRJCKMQ-UHFFFAOYSA-N 453.528 2.273 30 10 JEEE CCCNC(=O)CSc1nncn1N=Cc1ccc(OCC(=O)N(CC)CC)c(OCC)c1 2321260696 CNOOGYKKYRACDR-UHFFFAOYSA-N 476.603 2.425 30 10 JEEE CCOc1ccccc1C=NNc1cnn([C@@H]2CCS(=O)(=O)C2)c(=O)c1Br 2322659836 UJZZILBPOSBBNA-CYBMUJFWSA-N 455.334 2.210 30 10 JEEE CO[C@@H](CNC(=O)OC(C)(C)C)CNC(=O)c1cccc(F)c1B1OC(C)(C)C(C)(C)O1 2339940829 DVLYGMJEIPSSSD-CQSZACIVSA-N 452.332 2.394 30 10 JEEE Cn1ncc(C(=O)N[C@@H]2C[C@@H]3C[C@H]2C[C@@H]3NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2359263564 XFAGOFYAQGKXJR-DIECFANBSA-N 460.384 2.141 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2CN(Cc3ccccc3)C[C@]2(C)C1 2362344913 YBMYDDLHGBHUPC-KBMIEXCESA-N 450.392 2.313 30 10 JEEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@@H]2[C@@H](CCN2C(=O)OC(C)(C)C)C1 2362358071 VMNJVFSRVXTZJH-JKSUJKDBSA-N 460.384 2.191 30 10 JEEE COC(=O)c1ccc([C@@H]2/C(=C(/O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN(C)C)cc1 102694366 VUECJBMJNZXFTI-SADKCHQCSA-N 466.490 2.228 30 10 JEEE CC(=NN)c1ccc2c(c1)OCCOCCOc1cc(C(C)=NN)ccc1OCCOCCO2 254444930 MRQXLLULZZALOY-UHFFFAOYSA-N 472.542 2.314 30 10 JEEE C=CCc1cc([N+](=O)[O-])ccc1OCC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 513601474 ULGGMSMINQOKFN-UHFFFAOYSA-N 475.523 2.244 30 10 JEEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCC[C@@H]2C(=O)N2c3ccccc3C[C@H]2C)CC1 514363906 HRTNOHKULLIZJY-FCEUIQTBSA-N 452.599 2.217 30 10 JEEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2cc(F)c(F)c(F)c2)c(=O)n1Cc1ccccc1 609074769 NFSDQDPGZOGRGA-UHFFFAOYSA-N 455.461 2.157 30 10 JEEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cn2)c1 726169121 GYDDEHAWZMYFCP-UHFFFAOYSA-N 499.593 2.303 30 10 JEEE CCc1cccc(-n2c(=C(C#N)C(=O)NCC(C)C)sc(=Cc3cnn4ccccc34)c2=O)c1 729670187 LDHBBQYUROPRTG-UHFFFAOYSA-N 471.586 2.384 30 10 JEEE Cn1ncc(C(=O)O)c1CNC(=O)C#CCNC(=O)OCC1c2ccccc2-c2ccccc21 757483248 HLSKSSWAEZMDAA-UHFFFAOYSA-N 458.474 2.277 30 10 JEEE C#CCCCCn1c([C@H]2CCOC2)nnc1N1CCC(CC(=O)N2CCN(CC)CC2)CC1 1286324406 OYMLWNDCDUBGAR-QFIPXVFZSA-N 456.635 2.356 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1c(F)cc(F)c(F)c1F)[C@H]1CCS(=O)(=O)C1 1286395704 TZCJIVSUWUDHLI-HNNXBMFYSA-N 493.486 2.495 30 10 JEEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1C[C@](C)(O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1286395777 NFUVIGMVJNKDHJ-YKSBVNFPSA-N 472.611 2.262 30 10 JEEE C#CCN(CC#C)c1nnc(-c2ccc(F)cc2Br)n1Cc1nnnn1CC1CC1 1286405020 YREJLCFQJAFQRJ-UHFFFAOYSA-N 469.322 2.364 30 10 JEEE C#CCN(CC#C)c1nnc(CSc2ccc(Cl)cc2)n1CCN1CCCS1(=O)=O 1286416476 NOPOYNJGSYFOJA-UHFFFAOYSA-N 464.016 2.332 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1286462690 RPRIMIWBZLLRKF-GOSISDBHSA-N 455.563 2.468 30 10 JEEE C#CCN(CCOC)c1nnc(-c2ccccc2F)n1Cc1ccc(N2CCOCC2)nc1 1286463365 DWKIWQJGSYPWIU-UHFFFAOYSA-N 450.518 2.450 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@@]2(C)COCCO2)CC1 1286473435 SICKCRZKWUCRHT-NRFANRHFSA-N 460.376 2.268 30 10 JEEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1286500489 UXLNZTDWYKBCIG-KDURUIRLSA-N 491.683 2.260 30 10 JEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C(C)=O)cc2F)CC1 1286606185 IQCFZRZIJKRCHQ-HXUWFJFHSA-N 470.549 2.490 30 10 JEEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(Cl)=C(Cl)C1 1286608503 RVHRMBSPPFVPGR-INIZCTEOSA-N 480.418 2.103 30 10 JEEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC[C@H](C2CCC2)C1 1286687222 HMVDADQMFRKKBR-UXHICEINSA-N 467.636 2.220 30 10 JEEE CC(=O)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CN(CC(C)C)CCO2)CC1 1286863638 DUFPFLNURFHXCD-QHCPKHFHSA-N 465.602 2.232 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCS(=O)(=O)c1ccccc1 1300298651 FRDXOMBXCGUOIC-KRWDZBQOSA-N 486.623 2.170 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2CCC(=O)NCCC)c1 1300333967 HADQOYMNHHXYMC-LJQANCHMSA-N 452.559 2.145 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1Cc1cccc(OCC(C)C)c1)[C@H]1CCS(=O)(=O)C1 1300492337 MZUBZYDHONFKKV-FQEVSTJZSA-N 480.594 2.445 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccn3)n2Cc2c(C)nn(C)c2C)n1 1300681026 JZYVUGVTLGQDEK-UHFFFAOYSA-N 459.558 2.221 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@]2(C)CCCS2)CC1 1300689503 WPNVVJSORWPGNQ-HSZRJFAPSA-N 488.683 2.236 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2C[C@H](C(C)C)N2CCOCC2)CC1 1300718606 BETHFABKPNUNJZ-HSZRJFAPSA-N 482.604 2.407 30 10 JEEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cccc(CN(C)CC)c2)CC1 1301087234 YHMWMPYAFMKBAX-QFIPXVFZSA-N 488.658 2.267 30 10 JEEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCCO[C@@H]2C(C)C)CC1 1301124147 GJKRLXDXPFEJSF-PCCBWWKXSA-N 481.663 2.465 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C)on1 1301362046 AAWYSOQNPMESNW-SFHVURJKSA-N 478.600 2.210 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1301483640 SCYPBCYSUHSAGE-FQEVSTJZSA-N 475.347 2.041 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccc3cccnc23)nnc1N1CCN(CCOC)[C@@H](C)C1 1301577820 OAEZKOIZVZESNX-IBGZPJMESA-N 484.626 2.251 30 10 JEEE CC(C)N(C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1303275596 FCEVNXGQAUEXRC-HXUWFJFHSA-N 486.642 2.440 30 10 JEEE CCc1nc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2CCNS(=O)(=O)CC)cs1 1306029168 GGGUJZDPRCQIQG-UHFFFAOYSA-N 459.601 2.411 30 10 JEEE N#Cc1cc(Br)cc(S(=O)(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)c1 1309215950 BPNUVPFJPNRXOS-LJQANCHMSA-N 450.358 2.236 30 10 JEEE C=CCOc1ccc(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc1 1352153050 NJDQVNUKUBCART-UHFFFAOYSA-N 458.536 2.098 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2CCC=C(C)C)c1 1358901752 VRYSRMLUISZQOL-QGZVFWFLSA-N 458.588 2.301 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@]1(N(C)C)CCSC1 1359015330 PXERAMWDEUCMFI-JTSKRJEESA-N 494.662 2.105 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(C(=O)N3CCCC3)n2CC2=CCCCC2)n1 1359027594 OTVRICKZAXKZJA-UHFFFAOYSA-N 451.575 2.497 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2CC2(O)CCN(C(C)C)CC2)CC1 1359043054 FJLWSBZYSUKGCG-UHFFFAOYSA-N 494.640 2.155 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2C[C@H]2CCC[C@H](O)C2)CC1 1359043444 UIVPFGQIEQVEAK-ICSRJNTNSA-N 451.571 2.471 30 10 JEEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](CN2CCC(C)CC2)C1 1359049914 YSCWHOBEKJOKTE-UXHICEINSA-N 482.720 2.203 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@](C)(O)CCOC 1359072774 QGBLOGYFMONQNI-SXOMAYOGSA-N 480.657 2.422 30 10 JEEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)c2ccc(F)cc2)CC1 1359132343 VBRASSMUVIFSRT-HXUWFJFHSA-N 470.549 2.360 30 10 JEEE C=CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@@](C)(C(=O)NC)C1 1359209746 XZXFRVDXFOLLDC-JOCHJYFZSA-N 459.620 2.475 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccc(C(=O)NCCC)c2)C1 1359321092 ZVBKBZVVXDFQFR-PMACEKPBSA-N 452.559 2.199 30 10 JEEE C=CCNC(=O)c1cccc(S(=O)(=O)N(C)Cc2nnc3n2C[C@@H](C(F)(F)F)CC3)c1 1475679675 SIFUSHFJMYGGRY-AWEZNQCLSA-N 457.478 2.139 30 10 JEEE COc1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(S(C)(=O)=O)CC2)cn1 1504265101 DEOZCWSUOUNXIM-UHFFFAOYSA-N 452.540 2.282 30 10 JEEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1(COC)CCOCC1 1507605941 ZJWHKYJNODVNOZ-UHFFFAOYSA-N 460.604 2.059 30 10 JEEE C#CCN(c1nnc(-c2cnccn2)n1CCCCN1C[C@@H](C)C[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1507630533 BJMQHTRGCLXJGB-QHAWAJNXSA-N 485.658 2.120 30 10 JEEE C#CCN(c1nnc(C2CCC2)n1C[C@@H]1CCN(CC(F)(F)F)C1)[C@H]1CCS(=O)(=O)C1 1507633909 VMWPJQMMFWQIAN-WBVHZDCISA-N 459.538 2.057 30 10 JEEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1cn(CCCC)nc1C)[C@H]1CCS(=O)(=O)C1 1507640078 OYBIVYVDOHAWCE-QFIPXVFZSA-N 498.657 2.120 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2C[C@@H]2CCOC[C@@H]2OC)CC1 1507739206 AYSOWAYUOHWEIZ-GOTSBHOMSA-N 465.598 2.081 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)Nc1cc(F)cc(F)c1 1507844261 GKYHQYDGJANXQD-OAHLLOKOSA-N 483.541 2.126 30 10 JEEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1507915731 YBFUFCAFULXUSO-IAGYGMIVSA-N 455.625 2.263 30 10 JEEE C=CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1508055435 ZQMSFLGAEZELQO-GOSISDBHSA-N 455.588 2.425 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(CCN2[C@H](C)CC[C@H]2C)CC1 1508078541 CXCCFZZOCPBEAF-NHCUHLMSSA-N 481.645 2.251 30 10 JEEE C=CCOc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(F)(F)C2)cc1 1508101138 VEFFZWWZARGFTI-GOSISDBHSA-N 483.541 2.070 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN(c2cccc(OC)c2)CC1 1508136454 GZDHGAVOEAFXOZ-UHFFFAOYSA-N 470.599 2.220 30 10 JEEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@H]1N(C)CCCC1(C)C 1510186746 HRTOJVOXRVBKKW-SJLPKXTDSA-N 451.641 2.139 30 10 JEEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)N2CCSCC2)CC(C)(C)O1 1512417827 AUSSLHUWWHHWPG-QGZVFWFLSA-N 490.655 2.199 30 10 JEEE CS(=O)(=O)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2CCCC2)CC1 1519533013 CSKVIXBPFUXOCD-UHFFFAOYSA-N 458.588 2.391 30 10 JEEE C=CCN1C(=O)C(=O)N(CC(=O)N(CCN(CC)CC)c2cccc(C(F)(F)F)c2)C1=O 1535177864 SHDRPHIFODQZMO-UHFFFAOYSA-N 454.449 2.357 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cnn(C)c2)n1C[C@@H]1C[C@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1539002603 VLGYUXPZOVXRTC-CAMMJAKZSA-N 455.563 2.161 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CCNC(=O)OC(C)(C)C)c1 1539038385 OFUTZQGUUMGPIJ-UHFFFAOYSA-N 495.584 2.095 30 10 JEEE C#CCN(c1nnc(CC)n1C[C@@H](CC)N1CCc2ccccc2C1)[C@@H]1CCS(=O)(=O)C1 1539219366 JGVIMGXVWQUPFJ-FGZHOGPDSA-N 455.628 2.304 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccc3c(c2)COCC3)CC1 1539427693 HWSBJCOPKUAQAY-UHFFFAOYSA-N 450.587 2.073 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@]1(O)CCN(C)C1 1539541076 XZVSXOVIVOBOSC-DNQXCXABSA-N 455.559 2.030 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1540864676 IDBJBHXBJYARRO-GOSISDBHSA-N 490.555 2.397 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCCN(C(=O)C2CC2)CC1 1540908658 KZRJATTXXBYCEF-WOJBJXKFSA-N 493.674 2.246 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1Cc1nccn1C(F)F 1541676779 GDNBUZQRCAGCPX-UHFFFAOYSA-N 483.527 2.250 30 10 JEEE CN(C)S(=O)(=O)N1C[C@H](C(=O)NC2CC2)C2(CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)C1 1548376056 IFMCYAHYCXZBBU-LJQANCHMSA-N 499.559 2.180 30 10 JEEE CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CC(F)(F)F)CC1 1554510401 BWFSEEVZFRXVNG-UHFFFAOYSA-N 486.520 2.447 30 10 JEEE C#CCCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1587812973 FTXITBAOMFRARR-UHFFFAOYSA-N 473.581 2.388 30 10 JEEE C#CCCCn1c(N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)nnc1[C@]1(OC(C)C)CCOC1 1587893556 FXVRFJLETBUMOO-CYFREDJKSA-N 477.606 2.462 30 10 JEEE C#CCN(c1nnc(C2CCCC2)n1CC1(SC)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1588055280 UVMGVEPRMYEXKF-GOSISDBHSA-N 452.646 2.475 30 10 JEEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1c[nH]c2c(C)cccc12 1588647680 XNQIDMFMRSBJPT-IBGZPJMESA-N 455.584 2.299 30 10 JEEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@]2(N(C)C)CCSC2)CC1 1588876504 BZRPNYYRPVJGOF-YOSAUDMPSA-N 460.692 2.389 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCCOc2ccc(F)cc2)CC1 1588923978 SKSQTLIFPXZLNN-NRFANRHFSA-N 482.560 2.193 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CCCn2nc(C)cc2C)CC1 1588954986 NPMUHDSEWWLXLD-UHFFFAOYSA-N 460.586 2.133 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1589514714 IEHAHPXBLQWADR-ACRUOGEOSA-N 470.599 2.316 30 10 JEEE C=C(C)Cn1c(-c2cccc(OC)c2)nnc1N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 1589731227 DHSCXNBOYJTTBO-HXUWFJFHSA-N 463.604 2.407 30 10 JEEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1589731969 YOSHZXWRYQAEPP-GOSISDBHSA-N 473.559 2.041 30 10 JEEE C=C(Cn1c(N2CCN(C(=O)COC)CC2)nnc1[C@@]1(OC(C)C)CCOC1)c1ccccc1 1593796004 DYQVESVRQBOKOG-RUZDIDTESA-N 469.586 2.327 30 10 JEEE C=CCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1594698173 LWIVSWAQNNOXLY-UHFFFAOYSA-N 490.967 2.211 30 10 JEEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1595569697 NHRPXVOJCCFGOE-UHFFFAOYSA-N 466.586 2.183 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H](C(=O)OC)C1 1595577371 QTRFBJUOHIDJFS-QGZVFWFLSA-N 455.559 2.456 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@H](C)OC)C1 1595728316 AWIFYIYVCLCUEP-KZNAEPCWSA-N 451.568 2.403 30 10 JEEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2cccs2)CC1 1595883776 BDEOPMXKJKNAAS-QGZVFWFLSA-N 467.686 2.483 30 10 JEEE CCCn1nc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCNC(=O)C(C)C)c2ccccc2c1=O 1614896879 AZIPDZCDUQTZDP-XMMPIXPASA-N 480.548 2.279 30 10 JEEE CCOCc1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@@H](C)N1CCN(CC)CC1 1616915551 AFPHOPFGYAGIAA-OAQYLSRUSA-N 466.634 2.039 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2Cc2ccc(C)n(C)c2=O)c1 1689870248 HRPMQKVOJZBXTO-UHFFFAOYSA-N 469.549 2.395 30 10 JEEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2Cc2ccc(-n3ccnc3C)c(F)c2)CC1 1690111853 KVYCIWRVMBWJHI-IBGZPJMESA-N 481.576 2.439 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H](C)N2CCC(C)CC2)CC1 1690132462 RCUMPPUQLWVDQC-HXUWFJFHSA-N 469.659 2.145 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@H](SC)C1 1690244944 AZBPFRDUGAJQQK-FYQPLNBISA-N 499.703 2.314 30 10 JEEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCN2CCC(C)CC2)CC1 1690411053 DBZXTRFNZLTJPW-OAQYLSRUSA-N 480.679 2.135 30 10 JEEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNC(=O)C1CC1 1690571873 LVEMHIZGVMKQHE-GOSISDBHSA-N 461.563 2.038 30 10 JEEE CCN(CC)c1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(CC#N)CC2)cn1 1695616111 GMYQMTFBSAPHHD-KRWDZBQOSA-N 474.635 2.308 30 10 JEEE COc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@](C)(C#N)C2)cc1OC 1697452747 CUNRVJUIXAJRLA-VGOFRKELSA-N 459.572 2.376 30 10 JEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]2CCN(Cc3ccccc3)[C@@H]21 1705525185 ZZKQGDFXJCPUBJ-CZTZKLFOSA-N 456.616 2.360 30 10 JEEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC(C)(C)N1CCOCC1 1705549861 LICXCYHYQNVLTJ-UHFFFAOYSA-N 463.586 2.416 30 10 JEEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H]1CCC=CO1)[C@H]1CCS(=O)(=O)C1 1705560760 NFMWAHKAIQLXTG-LEWJYISDSA-N 483.594 2.467 30 10 JEEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H](c1ccc(C)cc1)N1CCOCC1 1705574615 IRHWLJRCGNVUKB-IGKIAQTJSA-N 477.609 2.385 30 10 JEEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCOC1CCOCC1 1705580072 CJZQGTFZIQPHDY-UHFFFAOYSA-N 474.565 2.333 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](C)N(CC)CC 1705583305 UYQRMTBSIPEVAD-VQTJNVASSA-N 458.607 2.390 30 10 JEEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N(C)Cc1ccc(C(N)=O)cc1 1705659172 NRAIJCQSOOZDRU-UHFFFAOYSA-N 452.540 2.108 30 10 JEEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1Cc2ccoc2CC(C)(C)C1 1705662144 RFUDPMBSCLXWLT-IBGZPJMESA-N 493.655 2.159 30 10 JEEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1705679691 WOCBNRSYOUPLLB-UHFFFAOYSA-N 483.308 2.445 30 10 JEEE C=C(Br)Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1705691782 OUTWDJLEOSWTKF-KBXCAEBGSA-N 464.412 2.205 30 10 JEEE C=C(Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](OC)C(C)(C)C1)c1ccccc1 1705743158 PEFACBZQVXNTDK-WOJBJXKFSA-N 475.615 2.186 30 10 JEEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 1705821615 CHWOLUDLFPSDNB-LJQANCHMSA-N 464.636 2.198 30 10 JEEE C=CCOc1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CC(=O)N(C)C[C@H]2C)cc1 1705910188 UOSBUBFWJFDEMG-QGZVFWFLSA-N 461.526 2.205 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2Cc2nccs2)C1 1705919730 JYWHCSQZCIMQDX-QGZVFWFLSA-N 474.612 2.482 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1705931506 RPFRXARAGWTYPP-FQEVSTJZSA-N 494.415 2.167 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1705933315 BYZDEFQQUBRKPA-UHFFFAOYSA-N 487.630 2.120 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1705935385 PMKFICBJBRTZEZ-WOJBJXKFSA-N 460.600 2.341 30 10 JEEE Cc1nn(C)c(N2CCN(c3nnc(C4CC4)n3CCCN(C)CC(F)(F)F)CC2)c1C#N 1707807480 AYKBZKWMSWEWAX-UHFFFAOYSA-N 465.528 2.280 30 10 JEEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCC(CC#N)CC3)n2CCc2cccc(F)c2F)C1 1712705839 DKTUEGJKJLXYDG-LJQANCHMSA-N 494.568 2.262 30 10 JEEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc(OC)c(Br)c1 1722274922 AQTLYSPUKVRORB-KGLIPLIRSA-N 484.420 2.360 30 10 JEEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1CCCCn1cc(Br)cn1 1722345058 WMUPZFXDRSQHCU-LJQANCHMSA-N 451.369 2.439 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1OCC(F)(F)F 1722390314 PZIHZOSDGMAVPW-INIZCTEOSA-N 483.516 2.341 30 10 JEEE C#CCN(CC#CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1Cc1nnnn1CC1CC1 1722400319 MTDOQBHZDWTORJ-UHFFFAOYSA-N 493.616 2.300 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCNC(=O)C(C)C 1722422734 TWHQBFOEMDYQDS-IBGZPJMESA-N 475.590 2.121 30 10 JEEE C=C(C)COCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCO[C@H](C(=O)NC)C1 1722527794 ATDHSTDUOPTDOH-NRFANRHFSA-N 450.543 2.346 30 10 JEEE C=CCCOCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1722624993 JDTYVYJFUQEJLM-QFIPXVFZSA-N 468.602 2.289 30 10 JEEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CCc1cccs1 1722696562 BSOOFUUEKIOCSM-UHFFFAOYSA-N 463.567 2.235 30 10 JEEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1722697391 IWLIXGXYYIDNDR-UHFFFAOYSA-N 463.586 2.434 30 10 JEEE C[C@@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1726447593 COUJUKINYUPAGV-SJLPKXTDSA-N 491.518 2.280 30 10 JEEE CC[C@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1Cc1cccn(CC)c1=O 1727002748 HINLPWVCFROEDU-KRWDZBQOSA-N 463.590 2.262 30 10 JEEE COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCNS(=O)(=O)c2ccc(C)s2)cc1 1730095678 HUARPQLOODXSOV-GOSISDBHSA-N 488.595 2.031 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCCN1CCC[C@H]1CO 1740539946 SCOJJYPJBLYDDR-QUCCMNQESA-N 459.616 2.043 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCN1CCN(C)C(C)(C)C1 1740560191 DBNNVOAPIBPWDH-XMMPIXPASA-N 492.716 2.127 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCCCS2)c1 1740561579 GTWOVYZFMCBFFI-QFBILLFUSA-N 490.655 2.230 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1740616699 FOYNBFMGQHXLDG-GJPOJAMWSA-N 464.632 2.382 30 10 JEEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](C)CNC(=O)OC(C)(C)C 1740636877 HBRAUUHIYFLZCH-SFHVURJKSA-N 499.641 2.472 30 10 JEEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2cnn(-c3ccccc3)c2)CC1 1740818491 LAOAYEHWQMAUEG-SFHVURJKSA-N 455.588 2.473 30 10 JEEE C=CCCCCn1c(N2CCO[C@@H](C(=O)NC)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740866556 HLKNNIZRFHMDAP-FGTMMUONSA-N 462.595 2.356 30 10 JEEE C=CCNC(=O)Cn1c(N2CCN(c3ccc(F)cc3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1740964631 FWKZRENDJCRFRH-DEOSSOPVSA-N 472.565 2.087 30 10 JEEE C=CCNC(=O)Cn1c(N2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)nnc1[C@@]1(OCC)CCOC1 1740964683 GROLXJVTCDKHNM-HOYKHHGWSA-N 492.621 2.068 30 10 JEEE CC(=O)N1CC[C@@H](CN(C)c2nnc(COc3ccc(C#N)cc3)n2CC2(C(N)=O)CCCC2)C1 1741030818 FTYXCQVBBRUUFS-FQEVSTJZSA-N 479.585 2.079 30 10 JEEE CCn1nc(-c2nnc(N(C)C[C@@H](C)C#N)n2C[C@H]2CCCN2CCCO)c2ccccc2c1=O 1746469913 AFBMEGMFMURJPV-RBUKOAKNSA-N 478.601 2.118 30 10 JEEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(C)CCC1)[C@@H]1CCS(=O)(=O)C1 1748806158 ZXJBFQLBBFGOJS-XMSQKQJNSA-N 450.605 2.136 30 10 JEEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC2CCCC2)cc1 1748857797 DWNKUZUIYIIHNY-HSZRJFAPSA-N 497.621 2.054 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](OC)c1ccc(Cl)cc1 1748864438 XBHUHZKFLBMPGC-LPHOPBHVSA-N 463.991 2.392 30 10 JEEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](CC)N1CCc2ccccc2C1 1748924950 AIKXORAINFRGGF-VXKWHMMOSA-N 455.628 2.477 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccccc2OC(F)(F)F)CC1 1749009844 LXYLUZQMBPWJPE-KRWDZBQOSA-N 490.486 2.142 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CCOC(C)C)CC1 1749118033 BNCJTVZTKKDSOM-RBBKRZOGSA-N 483.617 2.454 30 10 JEEE C=C(C)COCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](NC(C)=O)C1 1749230173 UMISNDNNIWDZIH-UXHICEINSA-N 492.621 2.284 30 10 JEEE C=CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CCCS(=O)(=O)C1 1749507289 XFEIOSQNMQVOMF-ZACQAIPSSA-N 453.609 2.496 30 10 JEEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(c2nc(C)c(C)s2)CC1 1749665800 CYJGLUBPMUUDGH-UHFFFAOYSA-N 452.588 2.351 30 10 JEEE C=CCOc1ccccc1Cn1c(-c2cnccn2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1749690464 RYDSEHRFHBDVAQ-SFHVURJKSA-N 483.598 2.114 30 10 JEEE CC(C)N1CCC[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCCN(S(C)(=O)=O)CC2)C1 1750898327 HDLQEHPSTBKFGI-NRFANRHFSA-N 485.658 2.409 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@](C)(O)c2cc(C)oc2C)c1 1760129121 YNFPBSLPYQEXOM-LVXARBLLSA-N 490.564 2.403 30 10 JEEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)(C)c1ccc(OC)cc1 1760209718 HKEYJORVTLLRGU-GOSISDBHSA-N 457.600 2.338 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1[C@H]1C[C@H](c2ccc(F)cc2)C1 1760219311 ARWJHJVGXJKVLW-CEMLEFRQSA-N 485.585 2.332 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCN1CC 1760240289 MVYOGDDFJLDCPK-FXAWDEMLSA-N 462.595 2.152 30 10 JEEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H]2CN(CC(C)C)CCO2)CC1 1760255484 BVDADYKHGMCMML-JOCHJYFZSA-N 482.629 2.074 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC2(COC)CCC2)CC1 1760262476 YWKXORQKPGMIAY-HXUWFJFHSA-N 488.633 2.158 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCCc2cnn(C)n2)CC1 1760266577 DVMRGRIKHMPRBU-UHFFFAOYSA-N 498.538 2.274 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCOCc2ccc(OC)cc2)CC1 1760268920 ZXQQQJDRIDQNNE-UHFFFAOYSA-N 476.581 2.475 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCCN(CCC)C(=O)C1 1760313313 LZVVAGICYQYOPF-NQIIRXRSSA-N 467.574 2.355 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(CCOC)C(=O)C1 1760324904 MUYVJXIKGYSAQU-XXBNENTESA-N 457.550 2.284 30 10 JEEE C=C(Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C)c1ccccc1 1760363074 DFYVHYJNCMOJPT-NRSPTQNISA-N 466.586 2.310 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC2(CCCCC2)O1 1760464195 BRJZLKGKKHKIIS-ROUUACIJSA-N 453.609 2.115 30 10 JEEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCCN(Cc2ccc(OC)cc2)C(=O)C1 1760516111 JQHWMHUTTYUADZ-SFHVURJKSA-N 454.575 2.341 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1760527846 KIYAOWGBLWDXFV-RUZDIDTESA-N 479.585 2.207 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(CC)CC)n2CC2CCN(C(=O)OC)CC2)C1 1760534995 JUSOJXWULAFQGH-IBGZPJMESA-N 462.595 2.456 30 10 JEEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1760560136 YTCNWTKYYQISKL-UHFFFAOYSA-N 464.621 2.042 30 10 JEEE CC(=O)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCOC[C@H]2CCOC2)CC1 1760600722 BDQHXQXFQLTCIJ-JOCHJYFZSA-N 482.585 2.231 30 10 JEEE CCO[C@@]1(c2nnc(N(C)[C@H](C)CC#N)n2C[C@@H]2C[C@H](F)CN2Cc2nccn2C)CCOC1 1765808778 DQHFQSHXKADHRA-XQQXVUDOSA-N 474.585 2.015 30 10 JEEE COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)N2CCC[C@@H](C)C2)CC1 1769135783 FBCRBDUEJNOGAU-UXHICEINSA-N 465.602 2.232 30 10 JEEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCO[C@@H]2C(C)C)CCO1 1769239789 BRLARFCNYGPFRX-QHAWAJNXSA-N 452.559 2.219 30 10 JEEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2C[C@H](C)O[C@H](C)C2)CCO1 1770940178 DVFGKIVSIQVYAR-JQVVWYNYSA-N 454.575 2.168 30 10 JEEE N#Cc1ccccc1S(=O)(=O)N(C[C@H](O)CN1C(=O)c2ccccc2C1=O)c1ccccc1 1857970519 SWLDHWOGGOBBPH-LJQANCHMSA-N 461.499 2.411 30 10 JEEE CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CC[C@@H](NC(=O)c3cccc(C#N)c3)C2)cc1 1858301881 ZVEWHDDIXWTPBN-HXUWFJFHSA-N 454.552 2.233 30 10 JEEE C=CCNC(=O)[C@@H]1C[C@H](O)CN1C(=O)c1ccc2nc(-c3ccc(OC)cc3OC)[nH]c2c1 1861419529 QRDCKIMKIGUICT-YWZLYKJASA-N 450.495 2.125 30 10 JEEE C#CCOc1cn(CCN(CC)CC)c(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1=O 1870561856 GLUXGEQNTQGUBY-UHFFFAOYSA-N 467.570 2.433 30 10 JEEE COc1cc(/C=N/n2c(SCCCO)nnc2C(C)C)ccc1OCCN1CCOCC1 1874515857 SZFSBOZYYKDKOO-XQNSMLJCSA-N 463.604 2.478 30 10 JEEE C=CCNC(=O)c1nc(C(=O)N2CCC[C@H](Oc3ncc(Br)cn3)C2)cs1 1891455032 LGXXNILJQDHYBA-LBPRGKRZSA-N 452.334 2.295 30 10 JEEE C[C@@H](NC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)C1(O)CN(C(=O)OC(C)(C)C)C1 2060137985 FNRNGQBFSHMUJB-HZPDHXFCSA-N 454.568 2.450 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC(=CB2OC(C)(C)C(C)(C)O2)CC1 2141243179 DNGLKFCIWYEHPW-INIZCTEOSA-N 451.373 2.325 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2247897023 NBPGSVDXUCHRBI-CQSZACIVSA-N 458.411 2.335 30 10 JEEE C=C(CS(=O)(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1OC)B1OC(C)(C)C(C)(C)O1 2255795924 ZJSZDIQIEANLGX-JKSUJKDBSA-N 460.402 2.118 30 10 JEEE CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)cs1 2256600695 KSNUMZHWMRCITR-MRXNPFEDSA-N 452.382 2.299 30 10 JEEE CC(C)(C)OC(=O)NC(CF)(CF)C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2263505401 GZALDWOSIVZVFN-UHFFFAOYSA-N 461.340 2.261 30 10 JEEE CC(C)(C)OC(=O)N1CC(O)(CNC(=O)c2ccc(Cl)cc2B2OC(C)(C)C(C)(C)O2)C1 2267009268 KVFGCIQXEMQRAA-UHFFFAOYSA-N 466.771 2.351 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](NC(=O)c2cc(Cl)cc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267014491 ZJCJLCUSWAJAPJ-SJORKVTESA-N 466.771 2.349 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H](S(C)(=O)=O)[C@H](NC(=O)[C@H]2C[C@H](B3OC(C)(C)C(C)(C)O3)C2)C1 2267122745 OGFAEHUSWGDGJH-FPCVCCKLSA-N 472.413 2.008 30 10 JEEE CO[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)N(C(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)C1 2267175938 SHBYVLODTPCMFU-UONOGXRCSA-N 467.397 2.197 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)Nc2nc(CNC(=O)OC(C)(C)C)cs2)n1 2267184020 KFCBMXOLSNZEIQ-UHFFFAOYSA-N 463.369 2.453 30 10 JEEE CC(C)(C)OC(=O)N1[C@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C[C@H]2CCC[C@H]21 2268636590 FMSSCHDIWBOINM-MCIONIFRSA-N 464.397 2.376 30 10 JEEE COC[C@](C)(CC(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1)NC(=O)OC(C)(C)C 2268671894 OMTSEXGDSNUWJK-NRFANRHFSA-N 469.413 2.378 30 10 JEEE N#Cc1cc(NS(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)ccc1Br 2270531753 OKCBZJNVMLMGGV-INIZCTEOSA-N 482.312 2.442 30 10 JEEE Cc1c(C(=O)N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281801541 FOBBZMFBTYMYMK-INIZCTEOSA-N 462.400 2.405 30 10 JEEE Cn1ncc(C(=O)NCC[C@@H](NC(=O)OC(C)(C)C)C(F)(F)F)c1B1OC(C)(C)C(C)(C)O1 2281810695 SQTALYQASMBDFB-CYBMUJFWSA-N 476.305 2.295 30 10 JEEE Cn1nc(C(=O)N2C[C@@H]3CCC[C@H](C2)N3C(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2281971352 VHAZWEFJFVYWSK-IYBDPMFKSA-N 460.384 2.333 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](CO)[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)CC1 2281999606 YHGQFINMHWNXKW-CABCVRRESA-N 481.424 2.180 30 10 JEEE Cn1cc(C(=O)NC[C@@]2(C)CCCN(C(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2282039233 RUKBYXMEAHJLIT-HSZRJFAPSA-N 462.400 2.486 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H]3C[C@@H](C2)[C@@H](NC(=O)OC(C)(C)C)C3)n1 2282048816 QQBXQYLSPPWIRT-ZOBUZTSGSA-N 460.384 2.095 30 10 JEEE C[C@H]1CN(C(=O)OC(C)(C)C)CCN(S(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282301264 DPZLDXVDPSTJKU-INIZCTEOSA-N 481.424 2.258 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1S(=O)(=O)N[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2282488725 AUXSIMYPXJXMSY-DZFIZOCASA-N 478.420 2.438 30 10 JEEE CC(C)(C)OC(=O)N1C[C@H]2CCO[C@@]2(CNC(=O)c2occc2B2OC(C)(C)C(C)(C)O2)C1 2282555075 NLBBYMVZFRIQGR-CMJOXMDJSA-N 462.352 2.335 30 10 JEEE Cn1nc(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C(F)F)cc1B1OC(C)(C)C(C)(C)O1 2282615505 ZHDVCTVPQYYVCZ-AEFFLSMTSA-N 460.334 2.215 30 10 JEEE Cn1nc(C(=O)N2[C@H]3CC[C@H]2CN(C(=O)OC(C)(C)C)CC3)cc1B1OC(C)(C)C(C)(C)O1 2282626335 BCYQLQAARCSZBT-HOTGVXAUSA-N 460.384 2.333 30 10 JEEE CO[C@@](C)(CNS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1)COCc1ccccc1 2282861986 XGEWELVHSBTWBE-QHCPKHFHSA-N 476.404 2.281 30 10 JEEE C[C@H]1CN(C(=O)OC(C)(C)C)[C@@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)CO1 2283952067 DPZQZUSPDLBOBH-XJKSGUPXSA-N 465.331 2.483 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C(=O)Nc3ccc(B4OC(C)(C)C(C)(C)O4)cn3)CO[C@H]2C1 2284017182 DPXOWVKWBGGBIG-ZACQAIPSSA-N 459.352 2.201 30 10 JEEE COc1ccc(C(=O)N[C@@H](COCc2ccccc2)C(=O)O)cc1B1OC(C)(C)C(C)(C)O1 2284473548 ZVTUNIACCLQKSF-IBGZPJMESA-N 455.316 2.394 30 10 JEEE COC(=O)c1[nH]c(C)c(C(O)=C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccccc2)c1C 2296114076 KYKDIYZJYHOSMQ-OAQYLSRUSA-N 467.522 2.172 30 10 JEEE Cc1ccc([C@@H]2C(=C(O)c3ccc(S(=O)(=O)N(C)C)cc3)C(=O)C(=O)N2CCCN(C)C)o1 2297747114 CBCXGDUEXUZRGK-HXUWFJFHSA-N 475.567 2.212 30 10 JEEE O=c1c(Br)c(NN=Cc2ccc(O)c(Cl)c2)cnn1[C@@H]1CCS(=O)(=O)C1 2322659738 AYCRFWFMOCGFFA-SNVBAGLBSA-N 461.725 2.170 30 10 JEEE COc1ccc(C=Nn2c(SCC(N)=O)nnc2[C@@H]2CC(=O)N(Cc3ccccc3)C2)c(OC)c1 2325917273 XFFMWXXPVGJKRB-GOSISDBHSA-N 494.577 2.271 30 10 JEEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(C(=O)O)CCN(C(=O)OC(C)(C)C)CC1 2327112273 ITXCDKALWMVLGP-OAHLLOKOSA-N 453.536 2.264 30 10 JEEE CC(C)C[C@@H](CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C)NC(=O)OC(C)(C)C 2337194622 NYRABFWIIDFBFZ-HNNXBMFYSA-N 450.389 2.389 30 10 JEEE CC(C)(C)OC(=O)NCc1c[nH]nc1NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2380439747 ZQJFXIZGEHVMTI-UHFFFAOYSA-N 499.424 2.132 30 10 JEEE COc1ccc(/C(C)=N/Nc2nnc(SCC(=O)Nc3cccc([N+](=O)[O-])c3)n2N)cc1 21328317 VTAZYTXUQGFTGO-WSDLNYQXSA-N 456.488 2.476 30 10 JEEE Cc1c(/C=C2/SC(=S)N(CC(=O)O)C2=O)c(NCc2ccccc2)n(C)c(=O)c1C#N 39851511 UKPZFUBYNGACRI-LZYBPNLTSA-N 454.533 2.463 30 10 JEEE COc1ccc(O)c(/C=N/Nc2nc(SCC(=O)NCc3ccc4c(c3)OCO4)n[nH]2)c1 58997879 ADXXWUHKZCOIDV-LSFURLLWSA-N 456.484 2.102 30 10 JEEE Cc1c(C)c(S(=O)(=O)N/C(=N/CCN)NC(=O)OC(C)(C)C)c(C)c2c1OC(C)(C)C2 104840790 JTUOFKFHFGDWEP-UHFFFAOYSA-N 454.593 2.443 30 10 JEEE N#Cc1nccnc1O[C@H]1CCCN(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)C1 238855311 JWHREOGOFCYTAP-SFHVURJKSA-N 455.540 2.206 30 10 JEEE C=CCNC(=O)CN1CCN(C(=O)c2cnn(-c3ccc(Br)cc3)c2CC)CC1 512706142 VVRKBRRVIPAKJY-UHFFFAOYSA-N 460.376 2.257 30 10 JEEE COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)NCc2ccc(C#N)cc2F)CC1 609229945 YDJLPUBIIRDVHY-UHFFFAOYSA-N 459.499 2.201 30 10 JEEE CCC(CC)NC(=O)[C@H]1CN(C(=O)C(=O)NCc2ccc(C#N)cc2F)c2ccccc2O1 609255784 LGFRFNCCRBWTLD-OAQYLSRUSA-N 452.486 2.413 30 10 JEEE COc1ccc(NC(=O)CSc2nnc(NN=Cc3ccc(OC)c(OC)c3)n2N)cc1 1084506049 CHMAXBZGZCYPDS-UHFFFAOYSA-N 457.516 2.195 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)[C@@H]2CCN(c3ccccc3F)C2=O)s1 1136742922 CVLFTRXNUYIPPL-QGZVFWFLSA-N 451.545 2.158 30 10 JEEE C#C[C@H](NC(=O)c1cccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2OC)c1)[C@H]1CCCO1 1138447251 OYNABIPHKIQJOA-FXAWDEMLSA-N 459.480 2.315 30 10 JEEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CC(C)(c3nnc(-c4cccc(F)c4)o3)C2)c1 1167520890 ACZLDFVLJSRUIB-UHFFFAOYSA-N 454.483 2.201 30 10 JEEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(=O)c2ccccc2)CC1 1286322847 HHDJFSYOXVAXSX-OAQYLSRUSA-N 469.611 2.336 30 10 JEEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1286339270 VAMVTMRFKXZAPH-NHCUHLMSSA-N 485.677 2.236 30 10 JEEE C#CCN(c1nnc([C@@H](C)Oc2ccccc2F)n1CCc1ccn(C)n1)[C@@H]1CCS(=O)(=O)C1 1286383645 DNQYCLFTUYYHIC-IEBWSBKVSA-N 486.573 2.160 30 10 JEEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H]1CCCO[C@@H]1C(C)C)[C@@H]1CCS(=O)(=O)C1 1286394944 YHSOQZMYNAHIBH-QZNHQXDQSA-N 471.627 2.342 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(C)n2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1286462832 XNTMMYFWEVEWHJ-IBGZPJMESA-N 466.508 2.388 30 10 JEEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(C)cc2OCCCOC)CC1 1286476987 MKJVXJCNTWNOLF-UHFFFAOYSA-N 463.586 2.206 30 10 JEEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC2(S(C)(=O)=O)CCC2)CC1 1286479645 VSTKYDHPHCXZRU-UHFFFAOYSA-N 462.019 2.245 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3c[nH]c4ccccc34)n2C[C@@H](COC)OC)CC1 1286490322 KQMLAZYMENONDS-SFHVURJKSA-N 450.543 2.054 30 10 JEEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](CNC(=O)c2ccccc2)C1 1286494766 PABVGEBNPALKHC-LJQANCHMSA-N 468.627 2.429 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCOC2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1286554529 HRWXGQYWQRPCFQ-GGPKGHCWSA-N 467.636 2.014 30 10 JEEE C=C(C)COCCn1c(-c2cccc(OC)c2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1286604432 KQMXOSYAJXAPOP-UHFFFAOYSA-N 463.604 2.407 30 10 JEEE C=C1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1286646486 RTRHNJFRFINKSF-MBSDFSHPSA-N 495.646 2.099 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1286784946 ZIRFUJZHOPRLJS-CQSZACIVSA-N 466.464 2.049 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(NC(=O)NC2CCCCC2)CC1 1286787441 GBJCQHPKBNKIJQ-GOSISDBHSA-N 473.622 2.075 30 10 JEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N(C)[C@H]1CCN(Cc2ccccc2)C1 1286791271 XGSGNBJMVYDNAY-QFIPXVFZSA-N 462.602 2.153 30 10 JEEE C#CCCCCn1c(N2CCN3C(=O)N(CC)C(=O)[C@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1300377051 RMGRGIXXDUBMJO-CEXWTWQISA-N 499.616 2.325 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1cccnc1-n1cccn1)[C@@H]1CCS(=O)(=O)C1 1300495666 JFJMZVCTVBWVCF-LJQANCHMSA-N 467.599 2.122 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC2(O)CCCC2)CC1 1300711247 UTICIFBQRPKERB-KDURUIRLSA-N 458.607 2.109 30 10 JEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cc(F)cc(F)c2)CC1 1300732264 LFVUNDUEZORMMV-UHFFFAOYSA-N 460.554 2.485 30 10 JEEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1CCc2ccccc21 1300762651 KZMKIIBERBEISY-VQTJNVASSA-N 475.640 2.101 30 10 JEEE C=CCCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2c(F)ccc(F)c2C1 1301238555 ARXOQMAPJNZSOF-CQSZACIVSA-N 455.531 2.322 30 10 JEEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC[S@](=O)C(C)(C)C 1301278176 GVTHJFJEVGPBOI-LJAQVGFWSA-N 453.634 2.365 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1cnc2c(Cl)cnn2c1 1301390153 DYCNWZGIMNLGQW-MRXNPFEDSA-N 461.979 2.297 30 10 JEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCN(Cc2csc(C)n2)CC1 1301508619 OJFGMOBIBYLJLO-UHFFFAOYSA-N 472.644 2.023 30 10 JEEE C=CCOc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCSC[C@@H]2C)cc1 1301526473 NYDHFKCDNKUKIF-FXAWDEMLSA-N 493.655 2.166 30 10 JEEE CC(C)C(=O)NCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(CC#N)CC1 1302466102 CGFAYLPLSFVVTO-UHFFFAOYSA-N 462.558 2.094 30 10 JEEE CC(C)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(C#N)c1)N1CCOCC1 1302522319 DYODSOFCCYAHMO-VXKWHMMOSA-N 486.642 2.045 30 10 JEEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(OCC(F)(F)F)nc1 1303639940 HJKOLADKFCUMLO-GDBMZVCRSA-N 486.520 2.497 30 10 JEEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCC(C#N)CC3)n2CC2([S@@](C)=O)CCC2)c1 1314670912 FMNHXTDFCFSDTR-JGCGQSQUSA-N 490.655 2.237 30 10 JEEE CNC(=O)CC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCOC[C@@H]2OC)CC1 1315023293 CEGXHNTUTAAJKH-UNMCSNQZSA-N 482.585 2.133 30 10 JEEE C#CCCCn1c(COc2ccccc2CC)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1358934602 GVTHMKIGSOVLEH-UHFFFAOYSA-N 466.586 2.407 30 10 JEEE C#CCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1358934827 OARGAURWWWQCKR-INIZCTEOSA-N 451.980 2.394 30 10 JEEE C#CCN(CCOC)c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1359025757 XXIHOBSJQBSSDF-UNMCSNQZSA-N 489.617 2.298 30 10 JEEE C#CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1359052553 IWWYCEJJBGWWNC-LJQANCHMSA-N 498.653 2.119 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCN(c2ncccn2)CC1 1359091558 OWRRAVDADOSARP-AQNXPRMDSA-N 457.579 2.100 30 10 JEEE C=C(C)COCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1359135703 LUPPJSUVACYHHO-QHCPKHFHSA-N 495.672 2.293 30 10 JEEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 1359203733 UXXXDFXKOAJEEH-INIZCTEOSA-N 463.564 2.483 30 10 JEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1359302514 JRWIGPACISOMQZ-ZDUSSCGKSA-N 457.526 2.009 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Br)cc3)n2CCCNS(C)(=O)=O)C1 1359314408 AJIFMRUYWLVFSL-KRWDZBQOSA-N 484.420 2.428 30 10 JEEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C(F)F)C1 1359343625 XIGPHFLWUCNTEN-HUUCEWRRSA-N 465.592 2.012 30 10 JEEE C#CCN(C)CCCNC(=O)c1cn(CC)c2cc(N3CCN(C)CC3)c(Cl)cc2c1=O 1450487024 MBIQZQKFBSGFGR-UHFFFAOYSA-N 458.006 2.112 30 10 JEEE Cc1nc(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCN(CC(F)(F)F)CC2)n[nH]1 1492691232 BZMUXHYKNRVPAT-UHFFFAOYSA-N 475.479 2.082 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccc(OC)cc1)N1CCCC1 1507514433 CUIUIHUWBRSXTK-UEXGIBASSA-N 474.631 2.192 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCN(C2CC2)C1 1507522885 YNNMWSOODBTOES-ZWKOTPCHSA-N 456.616 2.138 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2CCN2CCCCCC2)c1 1507551119 AUEMDCBNPLPHMM-UHFFFAOYSA-N 477.613 2.333 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CC1(C(N)=O)CCCC1)[C@@H]1CCS(=O)(=O)C1 1507626249 DQTBMQSCKVZTAA-HXUWFJFHSA-N 469.611 2.180 30 10 JEEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 1507628582 XKYCMQWNLXPTBC-QGZVFWFLSA-N 456.524 2.230 30 10 JEEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](OC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1507638549 RZWNFMHAOWSGLF-UAFMIMERSA-N 466.648 2.494 30 10 JEEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1C[C@@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1507641036 YFSQJKOBMDVECW-RXVVDRJESA-N 474.583 2.062 30 10 JEEE C#CCN(CC#CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1cnn(CC)c1 1507673302 PRXDTCCLABKDCF-UHFFFAOYSA-N 470.625 2.370 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(N2CCOCC2)nc1 1507709238 SBVZXNFMJHPBJP-UHFFFAOYSA-N 457.538 2.183 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H]2CCOC[C@H]2OC)CC1 1507741411 RXCFVYXMJAGCOY-GXRSIYKFSA-N 487.645 2.214 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2C[C@H]2CCOC[C@H]2OC)CC1 1507742818 QZDVXEAABXBBNW-DHIUTWEWSA-N 465.598 2.195 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1507796404 AFBNSGZJFRSFSA-NFBKMPQASA-N 484.649 2.040 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1507799036 UZHLEFRKBLMPNS-UNMCSNQZSA-N 496.612 2.108 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1507802351 ABJJMJZGNQFRBR-DYESRHJHSA-N 494.687 2.475 30 10 JEEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1507842802 COKMZFIPMHZYKA-UHFFFAOYSA-N 473.578 2.229 30 10 JEEE C=C(C)COCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC(S(C)(=O)=O)CC1 1507846398 KRINVXGLONGENC-UHFFFAOYSA-N 458.588 2.123 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(=O)N2CCCC2)n1CC(C)(C)C(=O)NC 1507996596 YBRZSCGLHIFTJC-UHFFFAOYSA-N 454.575 2.488 30 10 JEEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 1508084097 IBAHAYPVLMCEED-FDDCHVKYSA-N 497.673 2.189 30 10 JEEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1508145258 YPWGFWVWRMPZGV-JPYJTQIMSA-N 478.590 2.383 30 10 JEEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1cccc(OCC(C)C)c1)[C@H]1CCS(=O)(=O)C1 1539201082 VNUMFVINGJVHFU-FQEVSTJZSA-N 487.626 2.126 30 10 JEEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 1539230335 LXEYYWMFIQKKFU-VQTJNVASSA-N 458.584 2.280 30 10 JEEE C#CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(C(=O)NCCOC)CC1 1539516869 FPQCOJAZATZGRS-OAQYLSRUSA-N 485.610 2.136 30 10 JEEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N(C)CCNS(=O)(=O)c1ccc(C)cc1 1539626198 BNXGQLXVYPVTCB-SIKLNZKXSA-N 497.625 2.439 30 10 JEEE C=C(C)COCCn1c(Cc2ccccc2OC)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1539752104 BXWGTVANFJPCCU-UHFFFAOYSA-N 484.601 2.044 30 10 JEEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2ccccc2)C[C@H]1C 1540036036 JXDXFTUWOHPRRI-IFMALSPDSA-N 473.643 2.484 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC2(N(C)C)CCC2)C1 1540886073 UYIQTVXZJDTVAU-HXUWFJFHSA-N 488.658 2.461 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)C[C@H]1CCCO1 1540902054 YXMOJFIYQVDHNH-HXUWFJFHSA-N 456.572 2.347 30 10 JEEE CC(C)(C)S(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@@](F)(C#N)C1 1541232316 GSFUVRCJZHZDIQ-DYESRHJHSA-N 463.535 2.446 30 10 JEEE CC(C)[C@@H]1OCCC[C@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCC#N)CC1CC1 1541408805 HIKCBFDXFKCEDT-HBMCJLEFSA-N 494.662 2.192 30 10 JEEE COCCN(CCOC)C1CCN(C(=O)COc2ccc(C#N)c(Br)c2)CC1 1544199499 HWYYSVYJNLPMLN-UHFFFAOYSA-N 454.365 2.285 30 10 JEEE C#C[C@H](NS(=O)(=O)c1ccc(S(=O)(=O)NC)c(C)c1)c1ccc(Br)cc1 1561601580 QYMLJWSBQASKDD-INIZCTEOSA-N 457.371 2.318 30 10 JEEE C#CCN(c1nnc([C@@H](C)CC)n1CCc1cccc(C(=O)N(C)C)c1)[C@H]1CCS(=O)(=O)C1 1588030689 ZSHCZNDTEHYGDH-RXVVDRJESA-N 471.627 2.363 30 10 JEEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(OC)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1588035867 YMLRBNZAJGOETR-YKSBVNFPSA-N 494.658 2.295 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1CCCCCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1588045760 QFIGVURKOIJTMN-FQEVSTJZSA-N 456.616 2.233 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCCN1CCCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1588053577 FWAAMTDOYFFMAK-NJYVYQBISA-N 463.648 2.063 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC1(O)CCN(C(C)C)CC1 1588628698 NHDXLDAIPOETAV-UHFFFAOYSA-N 477.613 2.452 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2CC2(CS(C)(=O)=O)CC2)CC1 1588907755 FXIHSKKSVJBEHI-UHFFFAOYSA-N 469.611 2.044 30 10 JEEE C#CCSCCn1c(-c2cn(C)c3ccccc23)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1589047763 IMAWKUXUXLSLKC-SFHVURJKSA-N 467.620 2.430 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(COc3cc(C)ccc3C)n2CC(=O)N2CCOCC2)C1 1595744575 MYDHXMCAZUUORH-HXUWFJFHSA-N 455.559 2.114 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 1595758693 BUTKEUQUCMGWBS-WBVHZDCISA-N 464.588 2.463 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(CC(C)C)CC1 1595805738 SWQMIJAMFUPGAU-NRFANRHFSA-N 475.615 2.169 30 10 JEEE C[C@H](CNC(=O)OC(C)(C)C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1 1611627309 GWABZGPSMDWTPS-NVXWUHKLSA-N 466.608 2.081 30 10 JEEE CCC[C@H](C)NC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N2CCOCC2)C1 1649632933 DFULQPMOMCZQIX-SIKLNZKXSA-N 493.612 2.197 30 10 JEEE C=CCN1CC[C@@H](N(C)c2c([N+](=O)[O-])cnc3c2ccn3S(=O)(=O)c2ccccc2)C1=O 1651793210 HIGLGEPEVLNJOB-QGZVFWFLSA-N 455.496 2.405 30 10 JEEE C=CCN(C)CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)cc1 1663023886 OBYWZFDDQRYZMO-OALUTQOASA-N 457.662 2.482 30 10 JEEE C=CCOc1ccc(CNC(=O)N2CCN(C(=O)c3cccc(S(C)(=O)=O)c3)CC2)cc1 1682443216 WBGJPLOVIJNPOA-UHFFFAOYSA-N 457.552 2.323 30 10 JEEE C#CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1689875389 QQRWSWFADCXCHA-UHFFFAOYSA-N 493.612 2.124 30 10 JEEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@H]1OCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1689985948 FULCRTGUFIMZQI-FXAWDEMLSA-N 458.584 2.396 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CC1(CC)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1689992914 QVOFNLYNMYQNEL-HXUWFJFHSA-N 457.600 2.097 30 10 JEEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1CCN(C2CC2)C1 1690000140 SLTRHENYQAVLIG-IBGZPJMESA-N 450.974 2.419 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc(Br)s1 1690032544 DMAISGKMLXLNBM-AWEZNQCLSA-N 484.445 2.418 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCn1ccnc1C 1690043827 PDLKXURBEUOKQP-UHFFFAOYSA-N 454.538 2.250 30 10 JEEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CCNc2ncc(Cl)cc2Cl)CC1 1690124874 WFIWBKIVQATJAV-HNNXBMFYSA-N 450.374 2.351 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCCCN2CCCC)CC1 1690135051 OYHPKOHHOMWMFR-JOCHJYFZSA-N 483.661 2.135 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCC(=O)NC(C)C)CC1 1690142414 NSFIILSNKWZNHO-UHFFFAOYSA-N 488.596 2.011 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2CCc2ccn(C)n2)CC1 1690148760 SOMCOSWGFOHBMI-UHFFFAOYSA-N 467.524 2.089 30 10 JEEE C=C(Br)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H](OCCOC)C1 1690220821 BLBUXZZQEZXCTQ-INIZCTEOSA-N 485.404 2.499 30 10 JEEE C=C(C)COCCn1c(-c2cc(OC)cc(OC)c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1690303448 YZIOBHQMQAMTRJ-KRWDZBQOSA-N 450.561 2.178 30 10 JEEE C=C(Cl)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(CCOC)[C@H](C)C1 1690334153 FTIHRPCEQJUTCS-QGZVFWFLSA-N 483.038 2.105 30 10 JEEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C[C@H]2CCCO2)CC1 1690644431 KNMOTNLPCJAXRO-MOPGFXCFSA-N 462.595 2.074 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2nc(C3CC3)cs2)C1 1690686703 SCVXGIMHUPFDEP-DZGCQCFKSA-N 452.606 2.052 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CC#N)CC1 1690730092 VDHUADAPBURRNI-UHFFFAOYSA-N 454.556 2.460 30 10 JEEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1690733800 NLEIJQSPMJVWRQ-HXUWFJFHSA-N 484.674 2.449 30 10 JEEE CN(CC(=O)N1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@](C)(O)c1cccs1 1696653844 FHAOIZMZPGEXDR-HSZRJFAPSA-N 466.567 2.081 30 10 JEEE C#CCN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H](N1CCOCC1)C(F)(F)F 1705550716 TZNCSHMLDURAIB-IBGZPJMESA-N 459.476 2.463 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1Cc1cscc1C)[C@@H]1CCS(=O)(=O)C1 1705558669 DRSMJGBXJKFAKE-GOSISDBHSA-N 463.629 2.241 30 10 JEEE C#CCN(c1nnc(CC(C)(C)C)n1CC1(N2CCCC2)CCOCC1)[C@H]1CCS(=O)(=O)C1 1705567807 ZZRKODUGWDUKAH-FQEVSTJZSA-N 477.675 2.138 30 10 JEEE C#CCN1CCN(c2nnc(-c3cc(OC)ccc3Br)n2CC2([S@@](C)=O)CC2)CC1 1705634178 MATUIFHMXANDQP-SSEXGKCCSA-N 492.443 2.383 30 10 JEEE C#CCN1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2C[C@](C)(O)[C@H](C)CC)CC1 1705638769 WHOMVWRCWQBLNA-BCHFMIIMSA-N 477.613 2.227 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)c[nH]2)n1CCCn1cc(CO)nn1 1705669398 LHYJGPAMEYYTNS-LJQANCHMSA-N 459.352 2.202 30 10 JEEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(N2CCNC2=O)CC1 1705725723 OLRXZAFFCPIULB-GOSISDBHSA-N 475.594 2.157 30 10 JEEE C=C(C)Cn1c(N2CCC(N(C)S(=O)(=O)CC)CC2)nnc1[C@]1(OC(C)C)CCOC1 1705728710 STSNPFCZIFFCEV-NRFANRHFSA-N 455.625 2.145 30 10 JEEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(CC(C)C)C(=O)C1 1705731847 GBPLKIOIYJIUFH-UHFFFAOYSA-N 475.615 2.246 30 10 JEEE C=CCCOCCn1c(N2CCS(=O)(=O)C3(CCCCC3)C2)nnc1[C@@]1(OCC)CCOC1 1705832763 HRMVCBFBFBNAPY-HSZRJFAPSA-N 482.647 2.461 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCO[C@H]1C(C)(C)C 1705843920 RCZXNRPXGLYORA-FGTMMUONSA-N 455.625 2.075 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1705898777 XETLFEWKJVGXQD-ZDUSSCGKSA-N 495.353 2.426 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 1705904437 PIAZWIDIPZHIBX-QKLQHJQFSA-N 498.584 2.442 30 10 JEEE CC(C)N1CCO[C@H](CN2CCN(c3nnc(-c4cccc(C#N)c4)n3CCC(C)(C)O)CC2)C1 1706577250 CEUXHAULYBKQIA-HSZRJFAPSA-N 481.645 2.209 30 10 JEEE CCNC(=O)C(C)(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)C[C@@H](C)C#N 1710311465 DGQLOUUMJHULOC-KRWDZBQOSA-N 453.595 2.210 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1CCSCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1722361852 QODLQSQLBYQICI-HNNXBMFYSA-N 459.519 2.262 30 10 JEEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CCN(CC)CCC(F)(F)F 1722380807 ZAXFYNWVXMLGRC-UHFFFAOYSA-N 450.465 2.353 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1Cc1cccc(CS(C)(=O)=O)c1 1722398191 RTFCMKRUAJLQTF-UHFFFAOYSA-N 479.562 2.062 30 10 JEEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCCN(CC(C)C)C2)CC1 1722440617 KPIISWPENMOIQU-OAQYLSRUSA-N 483.686 2.393 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@H]2CCCN2CC)CC1 1722442757 BHKNEJORMOYQEV-OAQYLSRUSA-N 450.587 2.404 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCN(C)C2CCCC2)CC1 1722443743 NEEATBMCEZJFTI-SANMLTNESA-N 486.661 2.159 30 10 JEEE C=C(Br)Cn1c(COCC)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1722488438 GXSLXHHBMZVVIK-UHFFFAOYSA-N 466.384 2.103 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCc2ccccc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1722505634 RTERAWQSLSUEIZ-RDGATRHJSA-N 466.630 2.255 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1722517494 KZYDPYKNLWVJOF-NRFANRHFSA-N 487.674 2.168 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)CC(F)(F)F 1722728217 SILBYJSUIOCCFF-UHFFFAOYSA-N 456.450 2.193 30 10 JEEE C=CCSCCn1c(C(C)C)nnc1N1C[C@@H]2[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1722732874 RLGJZYRVCISRHC-IXDOHACOSA-N 485.676 2.447 30 10 JEEE CC(C)(C)[S@](=O)CCn1c(Cc2ccccn2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1723021311 BEROYBJZZZYMEN-UUWRZZSWSA-N 478.626 2.404 30 10 JEEE CCNC(=O)C(C)(C)Cn1c(C)nnc1N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 1728642318 BQLSCGYVWDQENJ-UHFFFAOYSA-N 452.519 2.195 30 10 JEEE COCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1730767569 HFRTYDZLPYDGNH-WOJBJXKFSA-N 465.602 2.090 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2CCS(=O)(=O)CC2CC2)c1 1740564870 AHZORSBOXUTDKV-HXUWFJFHSA-N 471.583 2.011 30 10 JEEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 1740567372 QQUNJCCSJNOVSN-IBGZPJMESA-N 478.663 2.167 30 10 JEEE C#CCCCn1c(COc2ccc(C)cc2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1740596127 UJXGBXJFXWMEMY-DEOSSOPVSA-N 450.543 2.393 30 10 JEEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCNc1ccccn1 1740602113 FCUPQILYAVVBHA-UHFFFAOYSA-N 453.572 2.162 30 10 JEEE C#CCN(c1nnc(-c2ccc(Br)cc2)n1CCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1740619459 OTKCIMISLVWCCN-LJQANCHMSA-N 492.443 2.430 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1CCc1csc(CC)n1)[C@@H]1CCS(=O)(=O)C1 1740622295 WXJHYVPONBFVMQ-GOSISDBHSA-N 456.597 2.228 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCOC1CCOCC1 1740631275 SJUKRAQRZKITLW-UHFFFAOYSA-N 456.568 2.007 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCNC(=O)c2ccco2)CC1 1740709845 MJTRLIVRFBXJQS-TZIWHRDSSA-N 496.612 2.186 30 10 JEEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](CNC(C)=O)C1 1740750096 LRADRBPAYJVXNJ-ULQDDVLXSA-N 456.385 2.263 30 10 JEEE C=CC1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(OCC(=O)N(C)C)c2)CC1 1740834343 SNHZJIZMADHXJH-UHFFFAOYSA-N 466.586 2.432 30 10 JEEE C=CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1740877383 XXXFJWQJEVHUTF-IRXDYDNUSA-N 471.624 2.422 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1740988493 GPAKGAXEEKYDMO-HNNXBMFYSA-N 491.010 2.352 30 10 JEEE CC(C)(C)[S@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1741242062 CJONODWVKBWIBD-VPTFNQTCSA-N 463.629 2.377 30 10 JEEE C#CCN(c1nnc(C(C)(C)C)n1C[C@H](C)N1CCN(c2ccccc2)CC1)[C@@H]1CCS(=O)(=O)C1 1748801679 DJXBXQMIKFHIGJ-JTHBVZDNSA-N 498.697 2.413 30 10 JEEE C#CCN(c1nnc(C2CCC2)n1Cc1ccc(OCCOC)cc1)[C@H]1CCS(=O)(=O)C1 1748815359 POQLTMSPQOBARH-FQEVSTJZSA-N 458.584 2.246 30 10 JEEE C#CCN(c1nnc(Cc2ccncc2)n1CCN1CCCC[C@@H]1CC)[C@@H]1CCS(=O)(=O)C1 1748819402 OEFYRYMRCHHBKC-FCHUYYIVSA-N 470.643 2.155 30 10 JEEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCOc2c(C)cccc2C)CC1 1748972248 DNUTYQPQORENGL-UHFFFAOYSA-N 459.554 2.376 30 10 JEEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1749027308 MURHZOQQTHMULC-UHFFFAOYSA-N 490.593 2.240 30 10 JEEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2c(c1)COCC2 1749159767 YEFWIFDTNXHVFB-OAQYLSRUSA-N 475.615 2.134 30 10 JEEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1C[C@]1(C)COCCO1 1749529883 NWIMCJUYCNPDLO-XMMPIXPASA-N 450.543 2.384 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H](N1CCOCC1)C(F)(F)F 1760106796 HCYMMTAGZSMMHJ-KDOFPFPSSA-N 451.449 2.395 30 10 JEEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)c2ccc(C)s2)CC1 1760154839 KBNBJIWXGWONCZ-KRWDZBQOSA-N 475.640 2.362 30 10 JEEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCCOCC(F)F)[C@@H]1CCS(=O)(=O)C1 1760184283 VERLCEFLTMDAGB-GOSISDBHSA-N 463.510 2.115 30 10 JEEE C#CCN(c1nnc(-c2ccccn2)n1Cc1ccc(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1760184715 KXHCTIQINWAEOK-GOSISDBHSA-N 467.551 2.032 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@H](CC)c3ccccc3)n2C[C@@]2(O)CCO[C@H]2C)CC1 1760265843 KDMKUKBWEHTGSF-WSNOQYBDSA-N 465.598 2.326 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@@H](C)NC(=O)OC(C)(C)C)CC1 1760267895 FEUYCQORBRIFLS-QGZVFWFLSA-N 469.590 2.163 30 10 JEEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1760284117 GCZXGJWQNZDQTO-HXUWFJFHSA-N 454.604 2.300 30 10 JEEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1760285073 WUQSPCAYCPRUBV-HXUWFJFHSA-N 465.631 2.401 30 10 JEEE C=C(C)Cn1c(N2CCCN(CC(=O)N3CCCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1760349742 YDHRUZYIFZVNAK-XMMPIXPASA-N 460.623 2.029 30 10 JEEE C[C@H]1OCC[C@@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1763266389 FIPUDWQLLVTJHJ-LNZPYGSCSA-N 468.558 2.460 30 10 JEEE CN(C)C(=O)C1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)CCCC1 1768424712 DMCYUOWCBNPIKL-FQEVSTJZSA-N 484.626 2.479 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)COc3cccnc3NC(=O)N3CCC[C@H]3C(=O)O)cc21 1858807332 SEVQKBWGNNEIBD-INIZCTEOSA-N 480.477 2.336 30 10 JEEE COc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(CCN3CCOCC3)C2=O)cc1OC 1863161159 ZECIEGXCSARLGN-UHFFFAOYSA-N 462.506 2.100 30 10 JEEE C=CCOc1ccccc1[C@H]1C(C(=O)N2CC(O)C2)=C(N)Oc2c1c(C)nn2-c1ccccn1 1865225827 ZWGYVGFHUUUORT-OAQYLSRUSA-N 459.506 2.038 30 10 JEEE C=CCOc1ccccc1OCC(=O)Nc1nc(N2CCC(C)CC2)nn1[C@H]1CCS(=O)(=O)C1 1869940660 WASZXVFVUAETQG-SFHVURJKSA-N 489.598 2.456 30 10 JEEE C[C@H](C(=O)Nc1c(C#N)nnn1Cc1cc(Cl)cc2c1OCOC2)N1C(=O)c2ccccc2C1=O 1870106602 BGQBNUQAUADIOY-GFCCVEGCSA-N 492.879 2.341 30 10 JEEE C=CCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2ccc3c[nH]nc3c2)[nH]1 1871699906 VREUUNZMOJCSTF-UHFFFAOYSA-N 457.542 2.268 30 10 JEEE O=C1CN2C(=C1c1nc(O)c3ccccc3n1)NC(=O)c1cc(I)ccc12 1872730868 SLSJDCVPHCFPGX-UHFFFAOYSA-N 470.226 2.441 30 10 JEEE C=CCN1C[C@H](C(=O)N2CCC(C(=O)NC3CCN(Cc4ccccc4)CC3)CC2)CC1=O 1872917644 HVGBVZYRDWDSKV-JOCHJYFZSA-N 452.599 2.040 30 10 JEEE C=CCn1c(C(=O)NCc2ccc(O)cc2)cc2c(N3CCN(c4ncccn4)CC3)ncnc21 1873595463 DLAYBCRPPJBJNM-UHFFFAOYSA-N 470.537 2.370 30 10 JEEE COc1ccc([C@H]2[C@@H](C(=O)N3CCN(c4ncccc4C#N)CC3)SCC(=O)N2C2CC2)cc1 1892138380 LAMFGTOLJSXMBF-GOTSBHOMSA-N 477.590 2.458 30 10 JEEE C#Cc1cncc(-n2nc(C3CNC3)c(I)c2I)c1 2070640406 NDURWFRFKRGWRG-UHFFFAOYSA-N 476.059 2.145 30 10 JEEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cc(N)c(F)cc2Br)[C@H](C#N)C1 2162922600 QNJFHTXZQJAQNI-SNVBAGLBSA-N 463.329 2.304 30 10 JEEE CN(C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2180985129 MTDNNJWGEHEGAW-IBGZPJMESA-N 461.412 2.447 30 10 JEEE CC(C)(C)OC(=O)N1Cc2nccn2C[C@@H](C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C1 2181112259 MRIKSEYWTCLEEI-NHCUHLMSSA-N 464.570 2.487 30 10 JEEE Cc1cc(C(=O)NCC2(CNC(=O)OC(C)(C)C)COC2)oc1B1OC(C)(C)C(C)(C)O1 2267132613 RQGYUGGANFCMDX-UHFFFAOYSA-N 450.341 2.158 30 10 JEEE CO[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2267241186 KLNGFHMBPGXFTC-GJZGRUSLSA-N 467.397 2.197 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1COC[C@H]1NC(=O)c1c(F)cccc1B1OC(C)(C)C(C)(C)O1 2267447635 MKEQWTIJDKKYOB-CVEARBPZSA-N 450.316 2.147 30 10 JEEE CN(C1CC(NC(=O)OC(C)(C)C)C1)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2267474227 QXRRLAQFYMKHIT-UHFFFAOYSA-N 487.453 2.260 30 10 JEEE CN(CC(C)(C)CNC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2267496282 XDBGYUOBCZDABJ-UHFFFAOYSA-N 450.389 2.342 30 10 JEEE CN(C[C@H]1CCN1C(=O)OC(C)(C)C)C(=O)c1nn(C)c(Cl)c1B1OC(C)(C)C(C)(C)O1 2267501558 ZQKYNPRAMNFFCK-CYBMUJFWSA-N 468.791 2.454 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H](C)C(C)(C)NC(=O)OC(C)(C)C 2267530372 YZWQGITWHZPHRR-CQSZACIVSA-N 450.389 2.449 30 10 JEEE CC(C)(C)OC(=O)NC[C@]1(F)CC[C@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2268644902 NNXXISXZFRCAQW-YUNKPMOVSA-N 470.376 2.231 30 10 JEEE C[C@H]1CN(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C[C@H](C)N1C(=O)OC(C)(C)C 2268680273 LDELAYRASPBNRR-STQMWFEESA-N 467.401 2.121 30 10 JEEE CC1(C)OB(c2scnc2C(=O)N2CC(COCc3ccccc3)(C(=O)O)C2)OC1(C)C 2269023647 XBUFDMVSGQMNNN-UHFFFAOYSA-N 458.345 2.186 30 10 JEEE CC1(C)OB(c2sccc2CS(=O)(=O)N[C@H](COCc2ccccc2)C(=O)O)OC1(C)C 2269035511 GDQPRULKHDXSDO-QGZVFWFLSA-N 481.401 2.137 30 10 JEEE COc1ccc(C(=O)N[C@@H]2COC[C@H]2NC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2281818179 XFQNVVAUIMDTBF-IAGOWNOFSA-N 462.352 2.016 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](CO)[C@@H](NC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)CC1 2282009187 OOIOUJKZAYXFOG-ZBFHGGJFSA-N 481.424 2.180 30 10 JEEE CCc1nc(C(=O)NCCC2(O)CN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2282033077 OMVBTSSQVDNLFB-UHFFFAOYSA-N 481.424 2.106 30 10 JEEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@]2(C)CCCN(C(=O)OC(C)(C)C)C2)n1 2282042881 FVKCECWEQFAJTQ-QHCPKHFHSA-N 462.400 2.486 30 10 JEEE CC(C)(C)OC(=O)N1CC(C[S@@](C)(=O)=NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2282176209 QSRTYYJQGZYKPH-MGBGTMOVSA-N 479.408 2.486 30 10 JEEE CC1(C)OB(c2ccsc2S(=O)(=O)N2C[C@H]3OCCN(Cc4ccccc4)[C@@H]3C2)OC1(C)C 2282329386 LQJWWCGIIXSILT-WOJBJXKFSA-N 490.456 2.321 30 10 JEEE C[C@@H]1CCN(Cc2ccccc2)CCN1S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282498718 IHQKWQURVJACCW-GOSISDBHSA-N 474.436 2.004 30 10 JEEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C(F)(F)C1 2282536244 AAFQSMVUOKVZNU-AWEZNQCLSA-N 470.326 2.094 30 10 JEEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@]2(NC(=O)OC(C)(C)C)CCOC2)n1 2282550672 BVLHLLVMDOYHIO-HSZRJFAPSA-N 461.368 2.103 30 10 JEEE Cn1cc(C(=O)N2CC[C@H](C3CN(C(=O)OC(C)(C)C)C3)C2)nc1B1OC(C)(C)C(C)(C)O1 2282553218 WHHNEFINHFDKPF-HNNXBMFYSA-N 460.384 2.048 30 10 JEEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)O 2282569904 YLQZIGWRMLRNHQ-OAHLLOKOSA-N 464.324 2.033 30 10 JEEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1N(C)C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2282587373 LQELLTQJBBDGJN-WBVHZDCISA-N 462.400 2.437 30 10 JEEE CC(C)(C)OC(=O)N1CC([C@H]2CCCN(C(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)C2)C1 2282589853 TWBPSGXYWBAAMJ-HNNXBMFYSA-N 460.384 2.428 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H]2OCCN(C(=O)c3ccoc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2282628157 SBBHPTHGCKBJRA-IRXDYDNUSA-N 462.352 2.429 30 10 JEEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@H](NC(=O)c3cccc(B4OC(C)(C)C(C)(C)O4)c3)[C@H]2C1 2282673756 AMXNCWJXKQQZMB-QYZOEREBSA-N 458.364 2.350 30 10 JEEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]1C 2282687884 MGBVGBOPVFWNEW-DZGCQCFKSA-N 457.302 2.479 30 10 JEEE CC(C)(C)OC(=O)N[C@@H]1CN(S(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CC1(C)C 2282826320 QAZJGAWFZQLGHR-QGZVFWFLSA-N 481.424 2.305 30 10 JEEE C[C@H]1CN(S(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CC[C@H]1NC(=O)OC(C)(C)C 2282829593 HAOPZGZPKWFUSW-MAUKXSAKSA-N 481.424 2.305 30 10 JEEE CC(C)(C)OC(=O)N1CC(O)(CC(=O)N2CCc3c(B4OC(C)(C)C(C)(C)O4)cccc32)C1 2283953791 XSINCZXOZYQVHN-UHFFFAOYSA-N 458.364 2.247 30 10 JEEE CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1)[C@H](O)C(F)(F)F 2284131383 ZYHQXVIOCYDQHS-KGLIPLIRSA-N 475.273 2.136 30 10 JEEE CC(=NNc1nc2c(c(O)nc(=O)n2C)n1C[C@H](O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 2327754006 MOGDANYODZJJJH-KRWDZBQOSA-N 463.454 2.314 30 10 JEEE CC(=O)NCc1nnc(SCC(=O)Nc2cccc(C)c2)n1N=Cc1ccc(O)c([N+](=O)[O-])c1 2330731421 HQLDROKSJSIGQV-UHFFFAOYSA-N 483.510 2.449 30 10 JEEE CC#CCN(CC(=O)N1C[C@@H]2C[C@H](C1)[C@@H](CO)[C@H]2NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C 2337801958 NKCRKSJIWPUKDH-RMJJICAUSA-N 465.591 2.227 30 10 JEEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1C[C@H]2C[C@@H]1N(C(=O)OC(C)(C)C)C2 2359526674 DGQOUYDUPWIQAQ-XHSDSOJGSA-N 460.384 2.155 30 10 JEEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1C[C@H]2C[C@@H]1N(C(=O)OC(C)(C)C)C2 2359527129 LFWUEZMLWNBURY-UAGQMJEPSA-N 460.384 2.330 30 10 JEEE COc1ccc(CCNC(=O)c2ccc(/N=C3/N[C@@H]4CS(=O)(=O)C[C@@H]4S3)cc2)cc1OC 2686741 GCRAPGVMIIQFDZ-XLIONFOSSA-N 475.592 2.166 30 10 JEEE C=CCn1c(COC)nnc1SCC(=O)Nc1ccc(S(=O)(=O)NC(C)(C)C)cc1 20426138 FDMORLBXNJBLMQ-UHFFFAOYSA-N 453.590 2.418 30 10 JEEE C=CCn1c(S[C@H](C)C(=O)N(C)CC(=O)NC2CC2)nnc1[C@@H]1COc2ccccc2O1 23518208 FJSTZBPMAUFXFB-KDOFPFPSSA-N 457.556 2.194 30 10 JEEE CCOC(=O)C1CCN(C2=NC(O)=C3C(=NC(=O)[C@@H](C#N)[C@@H]3c3c[nH]c4ccccc34)N2)CC1 72444735 OMUTXLUWEBEFIY-MAUKXSAKSA-N 460.494 2.334 30 10 JEEE C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1COc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 204868976 OZSTWINYGOMVIU-WBVHZDCISA-N 476.383 2.059 30 10 JEEE C=CCN1C(=O)COc2ccc(C(=O)[C@H](C)[S@@](=O)CC(=O)Nc3ccc([N+](=O)[O-])cc3)cc21 586274067 JPWPZMPEHOIFCF-UUBFPDNSSA-N 471.491 2.465 30 10 JEEE CC(C)[C@@](C)(O)C[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 1078928956 YXPVYQIMXPYFSF-BWTNHSQTSA-N 494.669 2.100 30 10 JEEE CCOc1ccc(NC(=O)CSc2nnc(NN=Cc3cccc([N+](=O)[O-])c3)n2N)cc1 1084536873 JNLAGNQOYNZYDB-UHFFFAOYSA-N 456.488 2.476 30 10 JEEE C#CC[C@@]1(C(=O)NCc2cccc(C(=O)NCCN(C)C)c2)CCCN1C(=O)OC(C)(C)C 1125755762 OTIWHXCHLNXMHF-VWLOTQADSA-N 456.587 2.387 30 10 JEEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCN(CC(=O)N4CCCC[C@@H]4C)CC3)n[nH]2)c1C 1136165038 NCHPAKJTGHDARD-KRWDZBQOSA-N 453.591 2.235 30 10 JEEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(S(C)(=O)=O)ccc1OCCOC 1157258525 ORMRWDDEZHKJFL-INIZCTEOSA-N 454.545 2.361 30 10 JEEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCS(=O)(=O)C[C@H]1c1cnn(C)c1 1177719013 XIGMWCIBPONBGW-MSOLQXFVSA-N 454.593 2.358 30 10 JEEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1cccc(C(N)=O)c1 1286274001 HSTXUNNDWYNGFS-OAHLLOKOSA-N 465.583 2.152 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCOC(F)(F)F)c1 1286310297 CGTFKLNDKVJIOT-MRXNPFEDSA-N 499.515 2.163 30 10 JEEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1286337506 JWADSSFONJKJTN-HNNXBMFYSA-N 454.394 2.473 30 10 JEEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(c2cccnn2)CC1 1286353456 WTOUNGLGNZSJQY-LJQANCHMSA-N 482.589 2.117 30 10 JEEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@](C)(O)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1286380429 IEXNOVHQIVSCSU-YKSBVNFPSA-N 493.674 2.155 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@](C)(O)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1286396575 WEGNVKZOMGPXTR-QTEQDKRBSA-N 464.632 2.478 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@]2(N(C)C)CCSC2)CC1 1286489208 JUNKFQQABIMYKJ-QHCPKHFHSA-N 488.061 2.397 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2Cc2ccccc2OCCN(C)C)CC1 1286489975 ITXMGXVXLCUPBL-UHFFFAOYSA-N 475.597 2.228 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1286568179 XYFXCOJNFMWJGM-FCEWJHQRSA-N 481.644 2.120 30 10 JEEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1286701301 SSAVLZQLCFEJOY-SFHVURJKSA-N 458.588 2.015 30 10 JEEE C=CCCOCCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1286716302 JPFNSQWFWZLIRD-RUIUOMPFSA-N 450.580 2.368 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1286781925 DWHIFWWDCUHLEB-BTYIYWSLSA-N 476.375 2.394 30 10 JEEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCC(=O)N2CCOCC2)C1 1286797933 FCXWHEGGOPKUQL-NRFANRHFSA-N 482.585 2.177 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCCO3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)C1 1286808086 AOORLDXMPAPFHN-NJYVYQBISA-N 460.623 2.244 30 10 JEEE C=CCS(=O)(=O)CCn1c(N2CCN(C(C)=O)C[C@@H]2C)nnc1C1(c2ccccc2)CCC1 1286824627 FZRGLPMMNBBTNQ-IBGZPJMESA-N 471.627 2.406 30 10 JEEE C#CCCN1CCN(C(=O)[C@@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc(F)cc2)CC1 1292439745 JMNPWCOTNVDBMC-QHCPKHFHSA-N 455.555 2.109 30 10 JEEE C#CCN(c1nnc(-c2cccc(OC)c2)n1Cc1c(CC)noc1C)[C@@H]1CCS(=O)(=O)C1 1300483600 MBQCAJDBPNWUIV-GOSISDBHSA-N 469.567 2.488 30 10 JEEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CC1([S@@](C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1300488030 AFQSHRQOKYXPLF-HZAQMHFWSA-N 460.625 2.045 30 10 JEEE C#CCN(CC#C)c1nnc([C@H](C)OCCOC)n1C[C@@H]1C[C@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1300512217 OQLRWBZBJMXNAA-XSDIEEQYSA-N 487.601 2.099 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC[S@](=O)C(C)(C)C 1300538850 VNYOLQWQCKJIRF-XHVUARLKSA-N 477.631 2.207 30 10 JEEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1noc2c1CCCC2 1300657072 GECFNBFVIXXHBS-UHFFFAOYSA-N 469.567 2.350 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H](C)N(C)Cc2ccccc2)CC1 1300724862 CURCGFRUASHQIR-NZQKXSOJSA-N 464.614 2.268 30 10 JEEE C#CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1300733387 VJBJYTICMMTDIT-HSZRJFAPSA-N 452.584 2.230 30 10 JEEE C=C(C)COCCn1c(Cc2ccsc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1300996417 GZCSJZLNHMXNRV-FQEVSTJZSA-N 458.632 2.266 30 10 JEEE COCCC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1301421325 FYTZPSTYWBYSJS-UHFFFAOYSA-N 481.601 2.454 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1301505928 CMEGFZXNUGECJN-GOSISDBHSA-N 469.590 2.259 30 10 JEEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(O)(Cc2ccccc2F)CC1 1301509378 GSNRIXPJTLUCBB-UHFFFAOYSA-N 481.576 2.155 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCO[C@@H](CCC)C1 1301577351 NFGWMUFWZSXFAU-SFHVURJKSA-N 462.572 2.322 30 10 JEEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC(CO)(Cc2ccccc2)CC1 1301589891 ZMJQEGRRJHXGAF-NRFANRHFSA-N 474.627 2.204 30 10 JEEE CC(C)NC(=O)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@H]1CCOC[C@H]1C 1303407543 GFBJFSTZYZFDSO-DENIHFKCSA-N 465.602 2.283 30 10 JEEE Cc1nn(C)c(N2CCN(c3nnc(C)n3C[C@@H](C)CN(C)C(=O)OC(C)(C)C)CC2)c1C#N 1304730500 GBSPLSYUXBSBJU-INIZCTEOSA-N 471.610 2.330 30 10 JEEE CN(C)CC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1314664646 DIYFKTHHACIAAG-LJQANCHMSA-N 473.647 2.170 30 10 JEEE C#C[C@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCS(=O)(=O)N1CCSCC1 1358886480 DZSSIUQZSSCAHH-KRWDZBQOSA-N 486.623 2.437 30 10 JEEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H](C)Oc2ccccc2OC)CC1 1359031058 ONUXQGHSYSPGID-NLFFAJNJSA-N 469.586 2.162 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](c2ccc(CC)cc2)N(C)C)CC1 1359040002 DWTQXJLBJDCZMW-QHCPKHFHSA-N 493.656 2.247 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCOc2c(C)cccc2C)CC1 1359044093 VIXOSWCGDXOAGF-UHFFFAOYSA-N 459.554 2.397 30 10 JEEE C#CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@@H](NC(C)=O)C1 1359055557 HNDBNLQXNKSIAK-MRXNPFEDSA-N 451.556 2.065 30 10 JEEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1359104475 BRZGHMPBHVDJFM-YQPXSLGVSA-N 450.580 2.223 30 10 JEEE C=C(C)COCCn1c(-c2cccc(C#N)c2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1359129705 KGXOVIWBCBYJMJ-LJQANCHMSA-N 463.586 2.199 30 10 JEEE C=CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1359213842 JDCAFMNMZOXECE-MRXNPFEDSA-N 456.572 2.172 30 10 JEEE C=CCn1c(COc2ccccc2F)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1359289707 FKLMKOLDZZIMSR-UHFFFAOYSA-N 455.494 2.239 30 10 JEEE C=CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@]2(CCC(=O)N2)C1 1359342929 HXZUARIYWCZFKB-UZUQRXQVSA-N 492.646 2.365 30 10 JEEE Cc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3c(C#N)c(C)nn3C)CC2)c(F)c1 1361263573 FKWLLHWRVYIVLL-UHFFFAOYSA-N 479.564 2.152 30 10 JEEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H]2CCN(c3cccc(Cl)c3)C2=O)ccc1F 1435369503 ODQIONXDGPSLCY-KRWDZBQOSA-N 451.907 2.479 30 10 JEEE CCN(CC)CCN(C(=O)CSc1nc(C)c(C)c(C)c1C#N)[C@H]1CCS(=O)(=O)C1 1466156834 FTHSXJGILLJJMN-SFHVURJKSA-N 452.646 2.328 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)c1cccc(OC)c1 1507536907 FQMLUHDALFWVOC-FXAWDEMLSA-N 475.615 2.055 30 10 JEEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCCN(C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1507630526 BDDZRJPMMPCAKM-NRFANRHFSA-N 466.611 2.422 30 10 JEEE C#CCN(c1nnc(Cc2ccccn2)n1CCCN1C[C@H](C)C[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1507635781 VIRDOKZNVCJLMG-XPNTWCBSSA-N 484.670 2.259 30 10 JEEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CCNC(=O)c2ccc(C)cc2)CC1 1507729118 ZCTYZWPFTVTIJG-UHFFFAOYSA-N 463.611 2.127 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCC(F)(F)C2)CC1 1507733608 FVLVJDTUUWVVOZ-INIZCTEOSA-N 471.512 2.327 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H]2CCCN(CC(C)C)C2)CC1 1507737484 AEDHSMKILMOZAC-FQEVSTJZSA-N 466.634 2.012 30 10 JEEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N(C)C1CCN(CCn2cccn2)CC1 1507756316 YUHYTPRPKFVJHA-FQEVSTJZSA-N 457.648 2.336 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CCOC)C(=O)C1 1507793555 BFBJPHYPQUSWJQ-RXVVDRJESA-N 470.530 2.130 30 10 JEEE C=C1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC(=O)N2CCOCC2)CC1 1507884687 XOYPPGLKKPMTQT-IBGZPJMESA-N 474.606 2.408 30 10 JEEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cccc(OCC(N)=O)c1 1507983011 XZAGEFKHIJUMHK-IBGZPJMESA-N 486.573 2.121 30 10 JEEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)C[C@@H]1CCOC1 1508087725 DLIUOJKHHMOWTK-KRWDZBQOSA-N 462.595 2.168 30 10 JEEE C=CCS(=O)(=O)CCn1c(COc2ccc(OC)cc2)nnc1N1CCS[C@H](C)C1 1508148842 KVWJVHXOKYCCMO-MRXNPFEDSA-N 452.602 2.408 30 10 JEEE Cc1nn(C)c(C)c1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)C[C@@H](C)C#N 1511645137 FQVXZJPOUUAVEP-HNNXBMFYSA-N 470.603 2.190 30 10 JEEE CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCO2)CC1 1513187737 IFTMAKRKBGTHJK-RXVVDRJESA-N 451.575 2.032 30 10 JEEE N#Cc1ccc(N2CCN(C(=O)C3(S(=O)(=O)c4ccccc4)CCOCC3)CC2)c(F)c1 1520097057 FDPRKPWLWMFCDR-UHFFFAOYSA-N 457.527 2.369 30 10 JEEE N#C[C@@H]1CN(c2nnc(CCCc3ccccc3)n2C[C@@H](N2CCOCC2)C(F)(F)F)CCO1 1521136773 HZZKOSPIPNHXDT-WOJBJXKFSA-N 478.519 2.445 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCCCCC2)nc1 1538974274 SBGLWRINYIISCK-ZWKOTPCHSA-N 459.620 2.170 30 10 JEEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1538976903 QLGKRIRJUPTYPX-XTJBDQBJSA-N 453.587 2.289 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@](C)(O)c2ccco2)c1 1539038175 MFQAKYOOJYXGKQ-VWLOTQADSA-N 476.537 2.071 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@H]2CCCCS2(=O)=O)CC1 1539434429 LLHKJAWIDAXTBM-IBGZPJMESA-N 479.553 2.269 30 10 JEEE C=C(Br)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](COCCOC)C1 1539574496 LUWQGOCUCSZGAO-OAHLLOKOSA-N 465.352 2.323 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 1539751592 PXUKMBINKZJRNQ-HKUYNNGSSA-N 496.655 2.374 30 10 JEEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1540004736 FNCNABHCLNWHJO-QGZVFWFLSA-N 456.634 2.084 30 10 JEEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1540040305 RHWQQFDUEMMHRM-GOSISDBHSA-N 462.595 2.439 30 10 JEEE C=CCN(C)c1nnc(COc2ccc(Br)cc2)n1CCN1CCCS1(=O)=O 1540087323 WJCNDVIHWVESFF-UHFFFAOYSA-N 470.393 2.277 30 10 JEEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@]2(CCSC2)C1 1540871652 QFAPIVUSPDOFHE-SBUREZEXSA-N 492.646 2.222 30 10 JEEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(c2ccc(F)c(OC)c2)CC1 1540873299 UACASIMNVDBWGB-UHFFFAOYSA-N 465.533 2.040 30 10 JEEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCn2cc(Br)cn2)C1 1540891111 OZKCRFOWAIEFSR-JKSUJKDBSA-N 464.368 2.060 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc(CSc3ccccc3OC)n2C[C@@]2(O)CCN(C)C2)C1 1540896869 VMASRNGGXALCPL-WZONZLPQSA-N 459.616 2.427 30 10 JEEE C[C@@H](C#N)CN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCCS(C)(=O)=O 1541115798 FNZRTLFWYYTQES-INIZCTEOSA-N 468.624 2.423 30 10 JEEE C[C@@H]1OCC[C@@]12CN(c1nnc(COc3ccc(C#N)cc3)n1CCCC(=O)N(C)C)C[C@@H](C)O2 1545057681 AEVYENPDIBDIRC-HHJKRLRDSA-N 482.585 2.370 30 10 JEEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H]1CCC[C@H]([S@@](=O)CC)C1 1545184585 GATAZICBBJSHRV-DRBVLVCKSA-N 453.630 2.480 30 10 JEEE CCN(CC)[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](C(=O)NC)C1 1547433001 FMKMBHSRRIVLNT-ICSRJNTNSA-N 453.591 2.421 30 10 JEEE CN(CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(C#N)CC1)CC(F)(F)F 1554290905 GAYPSKWKARNKRB-UHFFFAOYSA-N 474.491 2.426 30 10 JEEE N#C[C@]1(F)CCN(c2nnc(COc3ccccc3F)n2C[C@@H]2CCCS(=O)(=O)C2)C1 1555985980 CITUWKCZEDBMDL-MGPUTAFESA-N 451.499 2.263 30 10 JEEE C#CCN(C(=O)NCc1cccc(C(=O)NCc2ccc(C)cc2)c1)[C@@H]1CCS(=O)(=O)C1 1563498802 APTMJFKAZCQUBA-JOCHJYFZSA-N 453.564 2.257 30 10 JEEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cccc(C(=O)N=c3cc[nH]cc3)c2)s1 1584312509 XBEKSVFZTNPXBP-UHFFFAOYSA-N 456.549 2.463 30 10 JEEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C[C@@H]1CN(CC)c2ccccc2O1 1587807280 AFIVQCSBGGSRFM-QZTJIDSGSA-N 460.604 2.025 30 10 JEEE C#CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1587831893 WCVYWDICCSFXNA-UHFFFAOYSA-N 489.418 2.340 30 10 JEEE C#CCCCn1c(COc2ccccc2OCC)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1587888896 OXIOOJRMQLICQI-QFIPXVFZSA-N 480.569 2.436 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCCN(C(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1588053414 FCSAWQFWCZXGLO-NJYVYQBISA-N 463.648 2.267 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccccc1)N1CCCC1 1588139124 MFAOKCZHRQMTDB-YADHBBJMSA-N 451.596 2.090 30 10 JEEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1Cc1cccc(CN(C)C)c1 1588628308 GOUCKJHJFGINMZ-UHFFFAOYSA-N 450.543 2.202 30 10 JEEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@](C)(O)c1ccco1 1588647498 WATXLMNTIDYESZ-MHECFPHRSA-N 489.573 2.173 30 10 JEEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](OC)c2ccc(F)cc2)CC1 1588864603 HMHNUVUEEHHKEA-QFIPXVFZSA-N 451.550 2.422 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2[C@@H]2C[C@H]2CF)CC1 1588885213 SJAGLKBJXMBXPR-PKOBYXMFSA-N 472.952 2.358 30 10 JEEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1589559461 RSOXLQYZGQWIHI-UGKGYDQZSA-N 474.631 2.153 30 10 JEEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1593696626 UNIMPYMAQCIZDH-SFHVURJKSA-N 453.547 2.109 30 10 JEEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C[C@H]2CCOC2)C1 1593884236 GFRANYGBAJQPTI-KSZLIROESA-N 474.027 2.007 30 10 JEEE C=CC1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CC(=O)N2CCOCC2)CC1 1594202188 HCTCUQBBHPDWMZ-UHFFFAOYSA-N 471.558 2.232 30 10 JEEE C=CCC(C)(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1594472422 DSFPNJPTWFDFQD-SFHVURJKSA-N 499.645 2.289 30 10 JEEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCCCC1 1595161997 SEGJCWRGYTWOOA-FQEVSTJZSA-N 494.687 2.351 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1595517108 PPKRKMCAGWJFMR-SFHVURJKSA-N 454.575 2.339 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1595593382 CCDRMRTZVALYAQ-KRWDZBQOSA-N 453.522 2.101 30 10 JEEE C=CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1595878178 JVMNGESKBRIJMZ-WOJBJXKFSA-N 462.664 2.224 30 10 JEEE C=CCSCCn1c(N2CCC(N3CCCNC3=O)CC2)nnc1[C@]1(OCC)CCOC1 1595905389 JCQFFZRUVCNXLX-QFIPXVFZSA-N 464.636 2.234 30 10 JEEE CC[C@@H](N=c1nn[nH]n1-c1ccccc1)C(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 1635327893 CONHLENIIHHDGP-LJQANCHMSA-N 450.934 2.149 30 10 JEEE C#CCN(C(=O)c1cnn2c1C[C@@H](CNC(C)=O)CC2)C1CCN(C(=O)OC(C)(C)C)CC1 1638330781 DYBRPRYOWXPJMY-SFHVURJKSA-N 457.575 2.057 30 10 JEEE CN(CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)C[C@@H](O)COCc1ccccc1 1644613829 FLWBUXXKGISYCX-DNQXCXABSA-N 454.546 2.044 30 10 JEEE COc1cc2c(cc1O)CCN(C(=O)C1CCN(S(=O)(=O)c3ccc(C#N)cc3)CC1)C2 1644856893 CEWMILACVJIAKQ-UHFFFAOYSA-N 455.536 2.258 30 10 JEEE N#Cc1ccc(N2CCN(C(=O)CNS(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)cc1 1647951826 HOMVEDVYVWWAJJ-UHFFFAOYSA-N 452.458 2.204 30 10 JEEE C#CCN(C(=O)Nc1cc(F)c(I)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1658896895 NURUNRWWQSARAL-SNVBAGLBSA-N 454.236 2.224 30 10 JEEE C#CCN(C(=O)Nc1cccc(OCCNC(=O)OC(C)(C)C)c1)[C@H]1CCS(=O)(=O)C1 1659013521 BVABWAZQKDVDIL-KRWDZBQOSA-N 451.545 2.244 30 10 JEEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCC(c3nnc(S)n3C)CC2)cc1 1665968784 GTAPSTJPCVJGNU-UHFFFAOYSA-N 450.590 2.322 30 10 JEEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2nc3ccccc3o2)CC1 1689877153 RLVASSGSIMHGQQ-QGZVFWFLSA-N 471.587 2.160 30 10 JEEE C#CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC(NC(C)=O)CC1 1689915318 XMUAVNABJOMBQY-UHFFFAOYSA-N 457.604 2.065 30 10 JEEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1689984141 LVZWPIZOJGLGOJ-FQEVSTJZSA-N 457.600 2.066 30 10 JEEE C#CCN(c1nnc(-c2cccnc2)n1Cc1ccccc1COC)[C@@H]1CCS(=O)(=O)C1 1689986619 UAYYDKWTSBTBSV-OAQYLSRUSA-N 451.552 2.162 30 10 JEEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1ccc(C)cc1OC)[C@H]1CCS(=O)(=O)C1 1689990404 NYFJMEUIEULNAU-UXHICEINSA-N 458.584 2.164 30 10 JEEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](CC)N1CCc2ccccc2C1 1690020059 XXGPJXCFKIRLQE-DHIUTWEWSA-N 465.623 2.090 30 10 JEEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H](c1ccc(C)o1)N1CCOCC1 1690061118 RFEHYSUXWDCXDV-RDPSFJRHSA-N 457.575 2.365 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@]2(C)COCCO2)CC1 1690139914 FAFKVYUGJLHFJA-AREMUKBSSA-N 497.596 2.124 30 10 JEEE C#CCSCCn1c(COc2cccc(C)c2)nnc1N1CCc2nn(C)c(=O)cc2C1 1690183150 NQFAAERCTHHQEB-UHFFFAOYSA-N 450.568 2.188 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1690195731 PAHKXQPKIACTPX-UKDVSSAZSA-N 469.561 2.406 30 10 JEEE C=CCCOCCn1c(C)nnc1N1C[C@H](NC(=O)OC(C)(C)C)C2(CCS(=O)(=O)CC2)C1 1690497030 FTEZLNQVIRYDMM-SFHVURJKSA-N 483.635 2.088 30 10 JEEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)N1CCC[C@@H](C)C1)C1CC1 1690545650 VYDRCSDWJWWNGG-UYAOXDASSA-N 480.679 2.276 30 10 JEEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1c2ccccc2C[C@@H]1C 1690622567 SFIMAJRXTTYULO-AZUAARDMSA-N 459.616 2.270 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1690663895 HSZLSLMOQRYJJK-APWZRJJASA-N 474.993 2.066 30 10 JEEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 1690733912 QNTUCWRJZMYFKE-INIZCTEOSA-N 498.700 2.140 30 10 JEEE C[C@H]1CN(CCCn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H](CC(N)=O)C2)CCCO1 1693836104 FECPQONVTSZAPV-FPOVZHCZSA-N 465.602 2.409 30 10 JEEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCC(C#N)CC3)n2CC2CCOCC2)c1 1696619932 APMHOZWYIDWQSM-UHFFFAOYSA-N 458.588 2.362 30 10 JEEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCCN1C[C@H](C)C[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1705566566 ODVXLTVEAYFOEC-YSFYHYPLSA-N 477.675 2.167 30 10 JEEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1C[C@H](N1CCOCC1)C(F)(F)F 1705575384 JCYBMQDUWFKDTA-KRWDZBQOSA-N 499.335 2.382 30 10 JEEE C#CCN(CC#CC)c1nnc(-c2cccnc2)n1CCNS(=O)(=O)c1ccc(C)s1 1705594675 NWVAYDFXGFNHQF-UHFFFAOYSA-N 454.581 2.151 30 10 JEEE C#CCn1ccc(CN(CCOC)c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCC[C@@H]2C)n1 1705631204 WQYWSYHCZILAFB-PMACEKPBSA-N 453.591 2.433 30 10 JEEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2Cc2cc(OC)ccc2OC(F)F)CC1 1705638038 VUHCHKWFSFLWBQ-UHFFFAOYSA-N 457.485 2.092 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2CCCC(=O)NC2CC2)CC1 1705649896 IDPTYFUPVULLQA-UHFFFAOYSA-N 466.561 2.033 30 10 JEEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CN2C[C@H](C)O[C@H](C)C2)CC1 1705737206 LZNWAKFEJXWWNM-VWPQPMDRSA-N 495.690 2.099 30 10 JEEE C=CCN(c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(S(C)(=O)=O)CCC1)C1CC1 1705850265 MZWZPMSKYXMREJ-UHFFFAOYSA-N 493.655 2.318 30 10 JEEE C=CCN(CC=C)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1)C(C)C 1705867920 XYEBOECXVFWWHC-HSALFYBXSA-N 472.590 2.327 30 10 JEEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2c(c1)OC(C)(C)O2 1705875606 ADXCZXWDKCRBOI-FQEVSTJZSA-N 489.598 2.345 30 10 JEEE C=CCn1c(Cc2csc(C)n2)nnc1N1CCN(C[C@H](O)COc2ccccc2)CC1 1705891916 GCWGYPBRGLTLPK-FQEVSTJZSA-N 454.600 2.382 30 10 JEEE C=CCNC(=O)Cn1c(N2CCS[C@H](C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705909105 MZYXRNIXLRIESP-OAGGEKHMSA-N 450.609 2.293 30 10 JEEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCC(C(=O)Nc2ccc(C)cn2)CC1 1705936945 CHVDMANKEWEWDU-UHFFFAOYSA-N 472.615 2.390 30 10 JEEE CC[C@H](C)[C@](C)(O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1708347291 FHCHVJJAGDAZIB-MDTICMOCSA-N 452.559 2.476 30 10 JEEE CN(CC(=O)N1CCOCC1)c1nnc(COc2ccc(C#N)cc2)n1CCC[C@@H]1CCCCO1 1711050003 FYUMQUKBZQJHDR-NRFANRHFSA-N 482.585 2.373 30 10 JEEE COCC(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCO[C@@H](C)C2)CC1 1712113672 CJAVZCGIHCEUKJ-ICSRJNTNSA-N 482.585 2.275 30 10 JEEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccc1OC 1722316233 DYWCXTGCHCSCON-HXUWFJFHSA-N 461.588 2.060 30 10 JEEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCNC(=O)C(C)(C)C 1722413367 MBAHGOOTZHDOAR-KRWDZBQOSA-N 462.595 2.208 30 10 JEEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1C[C@@H]1C 1722419981 FBYHDABBRRNGPR-QRFRQXIXSA-N 461.563 2.046 30 10 JEEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC(C)(C)CCOC)CC1 1722433911 IVRJQRCQRNMBBO-UHFFFAOYSA-N 488.658 2.013 30 10 JEEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1722453192 PDCMKSGIHPKJJQ-FQEVSTJZSA-N 450.568 2.330 30 10 JEEE C=CCOc1ccc(Cn2c([C@H]3CCOC3)nnc2N2CCN(CC(=O)NC(C)C)CC2)cc1 1722704501 IXRBYBQJHFZIQY-NRFANRHFSA-N 468.602 2.042 30 10 JEEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCn2cc(Br)cn2)C1 1722710217 FNGBVQAMQHUTGI-XLIONFOSSA-N 481.395 2.371 30 10 JEEE C=CCSCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1722737902 VBNWOXJZEKJCJD-YLJYHZDGSA-N 468.583 2.410 30 10 JEEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@H](C1CC1)N(C)Cc1ccccc1 1723932298 BFVCINGHWKZMLY-KPDCDPCYSA-N 489.621 2.241 30 10 JEEE C#CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1740711487 NUXRVMOFNZEDKU-KRWDZBQOSA-N 463.629 2.086 30 10 JEEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1740713734 PMGJGUWHKRGZBM-QGZVFWFLSA-N 464.613 2.342 30 10 JEEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)COC)CC1 1740759986 NFPKTXOTNWWKEP-AUSIDOKSSA-N 457.550 2.284 30 10 JEEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C(=O)NCCOC)CC1 1740782420 BZGSGQKLXGOWBN-IBGZPJMESA-N 492.621 2.142 30 10 JEEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 1740794414 AAZDOTBOTWZRMH-UXHICEINSA-N 462.620 2.428 30 10 JEEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCCCC2)nc1)C1CC1 1740906056 KOWNIOHMKPJBOV-QGZVFWFLSA-N 459.620 2.477 30 10 JEEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2cccc(C)c2C)CC1 1740951430 YUUBGGRQQROQQF-UHFFFAOYSA-N 467.618 2.442 30 10 JEEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1740956385 RCTAVHJRJYONAM-UHFFFAOYSA-N 455.538 2.113 30 10 JEEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccccc2Cl)CC1 1740986322 WKTDLEPGMNTPGY-UHFFFAOYSA-N 493.033 2.095 30 10 JEEE C=CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1741005911 VECZJGYBBOQTHR-KRWDZBQOSA-N 490.655 2.016 30 10 JEEE CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC=C(c2ccc(C#N)cc2)CC1)OC 1744115832 CPKNXOCHANFWIV-OXJNMPFZSA-N 458.588 2.479 30 10 JEEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2N(C)CCCC2(C)C)C1 1746536657 GUUBFBYUQJLJPL-LEWJYISDSA-N 485.658 2.455 30 10 JEEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(CC)CC2)c1 1748693097 XTGJFCUDSARZBQ-SFHVURJKSA-N 455.584 2.427 30 10 JEEE C#CCN(c1nnc([C@H](C)CC)n1C[C@H](c1ccc(C)o1)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1748803916 BAPGRTSTNFHKHW-HMXCVIKNSA-N 489.642 2.393 30 10 JEEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CC1(CC)CCC1)[C@@H]1CCS(=O)(=O)C1 1748804794 LGMUXSQXGLFGTN-XMSQKQJNSA-N 450.605 2.137 30 10 JEEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1748906395 DXXWQLNJHAGQPT-LRSLUSHPSA-N 457.619 2.353 30 10 JEEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC[C@@H]2COCCO2)CC1 1749015954 UGLMJZQBHPWVSI-JOCHJYFZSA-N 481.597 2.245 30 10 JEEE C=CCS(=O)(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@@H](COC)C1 1749730419 DACPOEYXLAQBLL-GOSISDBHSA-N 456.572 2.204 30 10 JEEE C=CCSCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1749744640 MTKBLURKNNEWKI-RTBURBONSA-N 484.626 2.101 30 10 JEEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1760145524 QDFIFXMQBGDZQS-ZWKOTPCHSA-N 482.651 2.385 30 10 JEEE C#CCCCn1c(C2CC2)nnc1N1C[C@H](NC(=O)OC(C)(C)C)C2(CCS(=O)(=O)CC2)C1 1760153409 PTAUUUXFMPBDRO-SFHVURJKSA-N 477.631 2.477 30 10 JEEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 1760157509 RLEZQBUNYIWKHJ-REWPJTCUSA-N 480.661 2.370 30 10 JEEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1CCN1CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1760191325 FNSCXUFDGQHCIH-GGAORHGYSA-N 499.681 2.431 30 10 JEEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CC1([S@](C)=O)CCC1)[C@H]1CCS(=O)(=O)C1 1760192053 PYAMVSAJGNHNCX-GTJUCTONSA-N 490.651 2.093 30 10 JEEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(OCC)cc3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1760253461 FPHNZLQBSVXBGZ-WTIAFYNJSA-N 469.586 2.112 30 10 JEEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)Cc1cccs1 1760280207 DSBXAXOWDPLNHO-KRWDZBQOSA-N 469.658 2.065 30 10 JEEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(OCCO)c(OC)c1 1760288275 XDXQZABPUGHZAX-RUZDIDTESA-N 476.537 2.346 30 10 JEEE C=CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(CCOCC)CC1 1760437870 QFHCFKNVXRGIRI-UHFFFAOYSA-N 451.575 2.317 30 10 JEEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1c[nH]c2cc(C)ccc12 1760464239 CNIZNNFCAUPUJX-FQEVSTJZSA-N 458.588 2.266 30 10 JEEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CCC1(O)CCOCC1 1760477725 IUAOPQCMNHAKNC-FQEVSTJZSA-N 455.559 2.362 30 10 JEEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC=C(Br)C1 1760523557 BQRPHURDQKBUCM-UHFFFAOYSA-N 487.406 2.243 30 10 JEEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1760526258 IXQQCYMWYRLJTI-KRWDZBQOSA-N 494.518 2.281 30 10 JEEE C=CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CCN(S(C)(=O)=O)CC1 1760559329 FXOWJAKTMSIMNB-UHFFFAOYSA-N 489.465 2.047 30 10 JEEE CC[C@@H](C)[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1763396941 DUNDLBDYVCYGDL-IBVKSMDESA-N 479.629 2.358 30 10 JEEE CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCC(=O)N(C)C)C1 1764508523 GZAMBQCCUOHGTL-HXUWFJFHSA-N 451.575 2.428 30 10 JEEE CCO[C@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2CC2(S(C)(=O)=O)CCCC2)CCOC1 1765888526 CKKULUVPLAEABB-RBBKRZOGSA-N 465.620 2.418 30 10 JEEE COC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C2CC2)N(C)C)CC1 1767916384 FVDDOLNCSRKESF-NRFANRHFSA-N 452.559 2.458 30 10 JEEE COCCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1CC1(c2ccccc2)CCOCC1 1771111317 HAOZVJJQSZIVGU-HXUWFJFHSA-N 452.559 2.344 30 10 JEEE C=C(C)Cn1c(COc2ccc(OC)cc2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1772543498 OQILPLDGSBSRKB-UHFFFAOYSA-N 463.542 2.262 30 10 JEEE COc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H](C)O)[C@H]2c2cc(OC)c(O)c(OC)c2)cc1OC 1862578068 WLXLRRUIUZQOMZ-ODXCJYRJSA-N 473.478 2.386 30 10 JEEE C=CCOc1ccccc1[C@H]1C(C(=O)NC[C@H](C)O)=C(N)Oc2c1c(C)nn2-c1ccccn1 1864318635 BENXCHPRZCDJGY-YCRPNKLZSA-N 461.522 2.332 30 10 JEEE C=CCOc1ccccc1[C@H]1C(C(=O)NCCNC(C)=O)=C(N)Oc2c1c(CCC)nn2CC 1864320943 DLWRNKUESKMRPX-HXUWFJFHSA-N 467.570 2.367 30 10 JEEE CN(C)C1CCN(C(=O)[C@@H](Cc2ccc(F)cc2)N=C2NS(=O)(=O)c3ccccc32)CC1 1869929711 KSNGFDQBMICHID-HXUWFJFHSA-N 458.559 2.028 30 10 JEEE CC[C@H](C)[C@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)NC[C@H](c1ccc(O)cc1)N(C)C 1869933637 LAFCKGBKPIDNMX-DLVCFXQMSA-N 458.584 2.265 30 10 JEEE C=CCOc1ccccc1OCC(=O)Nc1nc(N(CC=C)CC=C)nn1[C@@H]1CCS(=O)(=O)C1 1870004929 PXGUDIJMHZXBEJ-GOSISDBHSA-N 487.582 2.398 30 10 JEEE Cc1ncc(C#N)c(-n2c(C)nc(I)c2I)n1 1941552731 NCPLYRALTKJIEQ-UHFFFAOYSA-N 451.009 2.360 30 10 JEEE CC1(C)OB(c2csc(S(=O)(=O)NC3[C@H]4CN(Cc5ccccc5)C[C@H]34)c2)OC1(C)C 2255750189 GFMIDVPXKYBYQC-ROUUACIJSA-N 460.430 2.456 30 10 JEEE C[C@H](c1cc(B2OC(C)(C)C(C)(C)O2)cs1)N(C)C(=O)[C@H](O)CNC(=O)OC(C)(C)C 2256667722 SCQRTZQQRSYMQW-UKRRQHHQSA-N 454.398 2.452 30 10 JEEE C[C@@H](NC(=O)[C@H](CO)CNC(=O)OC(C)(C)C)c1cscc1B1OC(C)(C)C(C)(C)O1 2256677175 BBYAIKAMVFPVDB-KGLIPLIRSA-N 454.398 2.358 30 10 JEEE C[C@H](c1cc(B2OC(C)(C)C(C)(C)O2)cs1)N(C)C(=O)[C@H](O)CNC(=O)OC(C)(C)C 2256680157 SCQRTZQQRSYMQW-UKRRQHHQSA-N 454.398 2.452 30 10 JEEE C[C@H]1CN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2267465347 NXQREPSWOWQHJV-AWEZNQCLSA-N 487.453 2.213 30 10 JEEE Cn1nc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H]3C[C@@H]32)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2267501791 CVCLFRZXTFODDW-QWHCGFSZSA-N 466.775 2.207 30 10 JEEE CN(C1CC(OCc2ccccc2)C1)S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2267707545 SRMDKTYDHVTPNN-UHFFFAOYSA-N 461.393 2.088 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)CC12CC2 2268679454 NTHJKFUVXUMORP-CYBMUJFWSA-N 464.397 2.377 30 10 JEEE CCn1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H]3CC[C@H]32)nc1B1OC(C)(C)C(C)(C)O1 2282052942 RJSPLFMNOKVKEH-IAGOWNOFSA-N 460.384 2.426 30 10 JEEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)[C@H](CO)CC1 2282149573 DUOIRWMEMRYJGG-HOCLYGCPSA-N 481.424 2.180 30 10 JEEE Cn1nc(C(=O)NC[C@@H](F)C2CN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2282556545 JRSURSISHHQNKS-CYBMUJFWSA-N 486.781 2.308 30 10 JEEE C[C@H]1CN(C(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)C[C@@]1(C)CNC(=O)OC(C)(C)C 2282578591 UBKUHDZYSSMZSF-NPMXOYFQSA-N 462.400 2.342 30 10 JEEE Cn1cc(C(=O)NCC2CC3(C2)CN(C(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)n1 2282579950 MHBDFDSXBXFHDC-UHFFFAOYSA-N 460.384 2.096 30 10 JEEE C[C@H](NC(=O)OC(C)(C)C)[C@H]1CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)CCO1 2282678523 NMWDKVUQQJURKM-MAUKXSAKSA-N 461.368 2.135 30 10 JEEE CC(C)(C)OC(=O)NCCCN(CCO)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1O 2282967507 NKDQDSGMPUSJRR-UHFFFAOYSA-N 464.368 2.041 30 10 JEEE CC1(C)CN(C(=O)OC(C)(C)C)CCN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2283070401 WYDLWXNZICLCJM-UHFFFAOYSA-N 460.384 2.495 30 10 JEEE CC(C)(C)OC(=O)N1Cc2nncn2C[C@@H]1C(=O)N1CCC(=CB2OC(C)(C)C(C)(C)O2)C1 2283949862 DRSNXMNPMNJIJZ-MRXNPFEDSA-N 459.356 2.188 30 10 JEEE Cn1nccc1[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2283961608 HJTDVYWTGOIHEN-KRWDZBQOSA-N 457.340 2.319 30 10 JEEE CC(C)(C)OC(=O)N[C@H]1COC[C@H]1CC(=O)N=c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)[nH]1 2284059874 JJSKBJCFQKROID-HIFRSBDPSA-N 481.786 2.324 30 10 JEEE Cc1cc(C(=O)NC[C@H]2C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C2)oc1B1OC(C)(C)C(C)(C)O1 2359267795 CXWMKRVVOMYQKL-BZUAXINKSA-N 464.368 2.281 30 10 JEEE Cn1cc(C(=O)NC[C@H]2C[C@@H]3[C@H]2CCN3C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2359278523 ZYGGRGMREUZOBE-HLLBOEOZSA-N 460.384 2.095 30 10 JEEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(OC2(C(N)=O)CCN(C(=O)OC(C)(C)C)CC2)n1 2362186818 USRBISNARRFXRM-UHFFFAOYSA-N 461.368 2.323 30 10 JEEE CC1(C)OB(c2sncc2C(=O)NC2(C(=O)O)CCN(Cc3ccccc3)CC2)OC1(C)C 2362509189 QTEZRFRRGDNOJV-UHFFFAOYSA-N 471.388 2.292 30 10 JEEE NCC#Cc1cc(Cl)sc1CNS(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2369905759 FQOINAUAFUEQNI-UHFFFAOYSA-N 465.984 2.208 30 10 JEEE